"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.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_AN","CATS2D_01_DA","CATS2D_01_DD","CATS2D_01_DN","CATS2D_01_DP","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AN","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_DN","CATS2D_02_DP","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","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_PL","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_06_AA","CATS2D_06_AL","CATS2D_06_AN","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","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_DN","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.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.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","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.082","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.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","n124.Triazines","n135.Triazines","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCHO","nArCN","nArC.N","nArCNO","nArCO","nArCONH2","nArCONHR","nArCONR2","nArCOOH","nArCOOR","nArNH2","nArNHO","nArNHR","nArNO2","nArNR2","nArOCON","nArOH","nArOR","nArX","nAT","nAzetidines","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCconjX","nCH2RX","nCHRX2","nCIC","nCIR","nCL","nC.N.N.","nC..N.N2","nCONN","nCp","nCq","nCrq","nCrs","nCrt","nCRX3","nCs","nC.S","nCsp","nCsp2","nCsp3","nCt","nCXr","nCXr.","nDB","NdCH2","NddsN","NddssS","NdNH","NdO","NdS","NdsCH","NdsN","NdssC","NdssS","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nIsothiazoles","nIsoxazoles","nN","nN.C.N.","nN.CO.2","nN.N","NNRS","nO","nOHp","nOHs","nOHt","nOxazoles","nOxetanes","nOxolanes","nPyrazines","nPyrazoles","nPyridazines","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR03","nR04","nR05","nR06","nR07","nR08","nR09","nR10","nR11","nR12","nR.C.","nRCHO","nR.CH.X","nRCN","nRC.N","nRCO","nRCONH2","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nR.Cp","nR.Cs","nR.Ct","nRNH2","nRNHO","nRNHR","nRNR2","nROCON","nROH","nROR","NRS","nRSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO","nS..O.2","nSO2N","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nTB","NtCH","nThiazoles","nThioethanes","nThiophenes","NtN","nTriazoles","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","O.061","ON0","ON0V","ON1","ON1V","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_A","Psi_i_0","Psi_i_0d","Psi_i_1","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","Se","Si","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","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 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,119 48.8,124 1,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 2,183 9,187 8,192 5,195 5,199 8,204 4,207 6,212 1,215 1,217 2,220 14,223 1,224 1,232 18,236 1,237 3,240 1,245 12,250 4,258 4,263 4,275 1123,276 18.361,277 18.361,278 18.361,279 18.361,280 18.361,281 15.561,282 4.368,283 10.837,284 18.876,285 14.814,286 14.814,287 14.814,288 14.814,289 14.814,290 10.659,291 2.498,292 5.164,293 15.642,294 3.744,295 2.087,296 1.302,297 0.762,298 0.669,299 0.669,300 4.038,303 1,304 1,305 1,306 587,307 2.646,310 74.848,311 265.59,318 1.451,319 27.251,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 58,331 271,332 4.568,333 4.698,334 6.747,335 4.172,336 3.204,337 4.301,338 2.95,339 11.08,340 3.103,341 4.196,342 3.207,343 6.1,344 3.769,345 2.819,346 3.802,348 8.88,349 2.706,350 3.986,351 2.897,352 5.879,353 3.558,354 2.592,355 3.578,357 8.043,358 2.526,359 3.913,360 2.729,361 5.772,362 3.479,363 2.553,364 3.377,366 7.837,367 2.294,368 3.621,369 2.51,370 5.054,371 3.176,372 2.229,373 3.038,375 6.071,376 2.091,377 3.253,378 2.432,379 4.69,380 2.752,381 1.805,382 2.55,384 4.948,385 1.696,386 2.997,387 1.854,388 4.272,389 2.455,390 1.527,391 2.177,393 3.75,394 1.403,395 2.727,396 1.488,397 3.913,398 2.169,399 1.23,400 1.772,402 3.032,403 1.139,404 2.5,405 1.172,406 3.711,407 2,408 1,409 1.5,411 2.575,412 1,413 2.5,414 1,415 3.456,416 2,417 1,418 1.5,420 2.275,421 1,422 2.5,423 1,424 3.414,425 1.984,426 1,427 1.5,428 2.275,429 0.983,430 2.44,431 1,432 3.414,433 1.892,434 0.945,435 1.382,436 2.192,437 0.886,438 2.277,439 0.826,440 3.247,441 1.716,442 0.792,443 1.169,445 2.136,446 0.73,447 1.137,448 0.62,449 2.605,450 0.725,451 -0.188,452 -0.236,454 -0.422,455 -0.166,456 0.965,457 0.301,458 2.512,459 0.504,460 -0.453,461 -0.594,463 -1.096,464 -0.422,465 13.152,466 0.487,467 0.644,468 0.024,469 40.5,470 1.5,471 23.5,472 0.87,473 17,474 0.63,475 17.941,476 0.664,477 27.048,478 0.629,479 29.792,480 1.103,481 8.054,482 0.298,483 5.06,484 0.187,485 0.085,487 0.367,491 1,493 0.545,494 0.959,495 0.724,496 0.931,497 0.569,498 0.805,499 0.683,500 1.023,501 1.025,502 1.087,503 0.581,504 0.931,505 1.117,506 1.081,507 1.027,508 1.01,509 1.067,510 1.008,511 1.059,512 1.04,513 1.039,514 0.992,515 0.909,516 1.052,517 0.717,518 0.694,519 0.72,520 0.677,521 0.564,522 0.839,523 0.446,524 0.776,525 0.686,526 0.856,527 0.416,528 0.929,529 0.461,530 0.996,531 0.879,532 1.094,533 0.567,534 1.166,535 0.905,536 0.972,537 0.883,538 0.948,539 0.88,540 1.093,541 5,542 0.136,543 3.333,544 1.41,545 1.466,546 1.202,547 0.457,548 0.28,549 0.357,550 0.275,551 8549,552 27336,553 2.12,554 37.2,556 13,558 2,559 1,564 1.706,565 2,566 3.291,567 -0.346,569 1,573 72.336,574 1.682,575 3.339,576 4.125,577 4.665,578 4.758,579 4.758,580 2.75,581 4.236,582 4.72,583 3.463,584 1215.67,585 8.228,586 15393.9,588 1,590 1,591 233.329,592 1.352,593 4.694,594 0.167,595 0.008,596 0.079,597 0.034,598 0.038,599 0.032,600 0.012,601 0.008,602 0.012,603 0.013,604 0.402,605 0.17,606 1,607 0.704,608 132.502,609 0.018,610 -0.04,611 0.116,612 0.009,613 -0.084,614 0.039,615 -0.009,616 -0.086,617 -0.1,618 -0.115,619 0.026,620 -0.044,621 -0.151,622 -0.103,623 -0.141,624 -0.081,625 -0.09,626 -0.096,627 -0.175,628 -0.093,629 -0.202,630 -0.121,631 -0.112,632 -0.148,633 -0.066,634 0.122,635 0.04,636 0.143,637 -0.04,638 0.12,639 0.137,640 0.077,641 0.099,642 0.015,643 0.074,644 0.039,645 0.218,646 -0.104,647 -0.058,648 -0.179,649 0.091,650 -0.209,651 -0.055,652 -0.064,653 -0.005,654 -0.034,655 -0.053,656 -0.071,657 2.25,658 5.338,659 0.852,660 25.295,661 1.009,662 1.113,663 3.69,664 13.619,665 0.73,666 3.434,667 3.761,668 4.043,669 4.304,670 4.575,671 4.718,672 4.875,673 4.99,674 5.165,675 5.231,676 6.08,677 0.699,678 377.47,679 3.434,680 4.977,681 5.832,682 6.711,683 7.588,684 8.477,685 9.365,686 10.26,687 11.154,688 12.053,689 7,697 1,699 2,704 12,705 2,706 1,709 8,711 23,730 1,731 43,733 24,734 2,735 30,737 46,738 21,739 20,740 4,741 8,746 4,747 4,761 20,762 1,766 1,771 1,776 1,778 1,779 1,781 16,782 4,783 1,784 6,785 1,787 1,790 3,794 1,795 1,805 1,811 1,812 3,840 4,842 1,844 1,846 1,848 27,850 1,869 1,870 2.3,873 1,877 13.5,878 8.126,879 5.889,880 2.38,881 3.419,882 1.461,883 1.04,884 4.763,885 10.831,886 3.773,887 4.404,888 5.025,889 5.633,890 6.205,891 6.579,892 7.074,893 7.513,894 8.009,895 8.403,896 0.857,897 42,898 9.975,900 4.309,901 7.872,902 18.812,904 15.524,905 2.372,906 64.056,909 1,910 176.567,911 167.25,912 50.357,914 22.156,915 14.96,916 19.133,917 148.118,918 198.723,919 65.317,920 7.19,922 113.895,923 81.598,924 57.866,925 17.717,926 153.024,928 176.567,929 198.474,930 37.117,931 19.133,933 191.527,934 22.156,937 39.965,938 124.938,939 33.571,940 19.133,941 191.527,942 72.513,943 167.25,946 195.699,947 28.07,948 120.048,949 16.786,950 70.688,951 176.567,952 87.473,953 167.25,955 0.583,956 0.337,957 0.176,958 0.102,959 21,960 9,961 0.087,962 4,964 1,965 3.869,966 237.009,968 23,969 116.382,972 1,974 17.477,975 7.358,976 3.635,978 70.688,979 20.936,980 8.82,981 3.368,984 5.372,986 16.786,987 431.29,988 42.5,993 11.6,998 -1.028,999 43.407,1000 47.87,1001 0.31,1002 0.615,1003 0.76,1004 0.86,1005 0.877,1006 0.877,1007 4.989,1008 1.23,1009 5.814,1010 3.75,1011 4.443,1012 5.091,1013 2.913,1014 6.624,1015 4.347,1016 6.21,1017 1,1018 7.372,1019 3.032,1020 4.007,1021 4.796,1023 7.529,1024 3.829,1025 7.516,1026 1,1027 9.031,1028 2.575,1029 6.033,1030 7.299,1031 5.027,1032 10.63,1033 5.859,1034 8.859,1035 1,1036 10.75,1037 2.275,1038 6.431,1039 7.837,1041 12.386,1042 6.185,1043 10.233,1044 0.945,1045 12.509,1046 2.275,1047 7.917,1048 9.773,1049 7.185,1050 15.002,1051 7.672,1052 11.63,1053 0.792,1054 14.294,1055 2.192,1056 8.694,1057 10.716,1059 17.109,1060 8.392,1061 13.044,1062 -0.188,1063 16.099,1064 2.136,1065 9.961,1066 12.395,1067 9.348,1068 19.567,1069 9.652,1070 3.204,1071 -0.453,1072 17.918,1073 -0.422,1074 10.922,1075 13.557,1077 21.832,1078 10.569,1079 2.819,1080 11.08,1081 19.749,1082 -1.096,1083 12.102,1084 15.108,1085 11.511,1086 24.24,1087 11.733,1088 2.592,1089 8.88,1090 21.589,1091 4.301,1092 13.154,1093 16.393,1095 26.576,1096 12.749,1097 2.553,1098 8.043,1099 23.437,1100 3.802,1101 14.303,1102 17.883,1103 13.675,1104 28.972,1105 13.876,1106 2.229,1107 7.837,1108 25.291,1109 3.578,1110 15.401,1111 19.238,1113 31.342,1114 14.942,1115 1.805,1116 6.071,1117 27.151,1118 3.377,1119 16.542,1120 20.7,1121 15.838,1122 33.738,1123 16.059,1124 1.527,1125 4.948,1126 29.017,1127 3.038,1128 17.665,1129 22.095,1131 36.124,1132 17.151,1133 8183,1134 14750,1135 20.285,1136 31.387,1137 46.121,1138 48.057,1139 46.538,1140 45.542,1141 45.393,1142 63.291,1143 5.9,1144 130.187,1145 43.112,1146 5.267,1147 6.698,1148 6.549,1149 5.207,1150 5.204,1151 7.301,1152 5.9,1153 18.235,1154 5.103,1155 12.043,1156 1.537,1157 1.602,1158 1.551,1159 1.518,1160 1.513,1161 2.11,1162 0.197,1163 4.34,1164 1.437,1165 4.093,1166 4.128,1167 4.34,1168 4.01,1169 8.201,1170 4.007,1171 3.902,1172 3.916,1173 4.036,1174 3.882,1175 7.398,1176 3.847,1177 3.833,1178 3.867,1179 3.785,1180 3.747,1181 5.032,1182 3.748,1183 3.636,1184 3.679,1185 3.708,1186 3.526,1187 4.839,1188 3.494,1189 3.381,1190 3.405,1191 3.463,1192 3.301,1193 4.641,1194 3.239,1195 2.895,1196 2.942,1197 2.853,1198 2.748,1199 4.503,1200 2.755,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.792,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.716,1212 2.715,1213 0.152,1214 0.157,1215 0.225,1216 0.139,1217 0.107,1218 4.568,1219 0.143,1220 4.698,1221 0.098,1222 6.747,1223 0.369,1224 4.172,1225 0.103,1226 3.204,1227 4.301,1228 2.95,1229 11.08,1230 3.103,1231 1.93,1232 1.915,1233 2.012,1234 2.02,1235 1.154,1236 2.022,1237 1.925,1238 1.902,1239 1.992,1240 1.994,1241 1.117,1242 2.009,1243 1.814,1244 1.782,1245 1.921,1246 1.923,1247 0.975,1248 1.928,1249 1.429,1250 1.415,1251 1.552,1252 1.597,1253 0.766,1254 1.633,1255 1.267,1256 1.221,1257 1.409,1258 1.469,1259 0.462,1260 1.481,1261 1.149,1262 1.086,1263 1.259,1264 1.358,1265 0.336,1266 1.335,1267 0.886,1268 0.821,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.111,1281 5.434,1282 2.398,1283 6.952,1284 4.727,1285 8.551,1286 6.862,1287 10.193,1289 1.649,1291 13.338,1305 30.037,1306 72.336,1307 143.581,1308 177.355,1309 200.574,1310 204.574,1311 204.574,1312 45.154,1313 7.412,1314 58.64,1315 77.85,1316 23,1317 12.577,1318 4.644,1319 3.755,1320 39.954,1321 97,1322 102,1323 0.203,1324 187.143,1325 316.15,1326 448.389,1327 14504,1328 2.3,1329 18.803,1330 0.696,1331 0.568,1332 18.221,1333 15.334,1334 13.114,1335 0.437,1336 0.329,1337 8.367,1338 12.075,1339 8.007,1340 6.652,1341 13.464,1342 9.876,1343 11.896,1344 0.283,1345 0.176,1346 12.132,1347 7.41,1348 10.047,1349 0.179,1350 0.093,1351 10.274,1352 5.186,1353 8.173,1354 0.112,1355 0.046,1356 8.451,1357 3.378,1358 6.78,1359 0.071,1360 0.024,1361 6.866,1362 2.284,1363 0.312,1364 88.885,1365 0.222,1366 25.663,1367 0.579,1368 144,1369 466.33,1370 180.557,1371 455.817,1372 618.46,1373 424,1374 170,1375 436.236,1376 204.305,1377 462.651,1378 666.94,1379 434,1380 5}
{0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,119 50,121 1,142 10,143 3,144 2,145 2,146 1,147 1,166 1,172 11,175 5,178 1,180 3,183 14,187 7,190 1,192 4,195 10,199 10,204 2,207 8,212 8,217 3,220 13,223 1,224 3,229 1,232 13,236 1,237 3,242 2,245 11,250 3,258 8,263 1,266 1,271 8,275 911,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 14.555,282 18.364,283 10.512,284 17.698,285 13.875,286 13.875,287 13.875,288 13.875,289 13.875,290 9.836,291 28.435,292 5.06,293 14.462,294 3.826,295 2.106,296 1.23,297 0.6,298 0.5,299 0.45,300 3.972,301 1,304 1,305 1,306 572,307 2.345,311 266.179,315 101.355,318 1.856,319 13.492,321 1,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 52.333,331 260,332 4.596,333 3.258,334 6.707,335 4.135,336 3.153,337 4.543,338 0.68,339 10.902,340 3.096,341 4.03,342 2.961,343 5.8,344 3.622,345 2.659,346 3.625,347 0.4,348 8.069,349 2.567,350 3.92,351 2.823,352 5.423,353 3.508,354 2.531,355 3.467,357 7.166,358 2.46,359 3.64,360 2.533,361 5.255,362 3.188,363 2.251,364 3.075,366 6.536,367 2.109,368 3.404,369 2.184,370 4.905,371 2.943,372 2.007,373 2.76,375 5.669,376 1.851,377 3.274,378 1.907,379 4.658,380 2.783,381 1.831,382 2.591,384 4.855,385 1.673,386 2.887,387 1.516,388 3.792,389 2.382,390 1.44,391 2.053,393 3.102,394 1.355,395 2.777,396 1.288,397 3.598,398 2.267,399 1.281,400 1.913,402 2.852,403 1.26,404 2.5,405 1.076,406 3.562,407 2,408 1.013,409 1.5,411 2.575,412 1,413 2.5,414 1,415 3.414,416 1.994,417 1,418 1.5,420 2.275,421 0.99,422 2.465,423 1,424 3.247,425 1.984,426 1,427 1.449,428 2.136,429 0.983,430 1.729,431 0.741,432 3.101,433 1.405,434 0.449,435 0.552,436 1.119,437 0.42,438 1.313,439 0.426,440 2.764,441 0.935,442 0.02,443 0.025,445 0.048,446 0.016,447 1.014,448 -0.044,449 2.445,450 0.595,451 -0.34,452 -0.435,454 -0.814,455 -0.291,456 0.889,457 -0.429,458 2.304,459 0.391,460 -0.583,461 -0.833,463 -1.455,464 -0.561,465 12.314,466 0.493,467 0.465,468 0.019,469 38.25,470 1.53,471 22.5,472 0.9,473 15.75,474 0.63,475 15.877,476 0.635,477 24.286,478 0.607,479 25.535,480 1.021,481 7.668,482 0.307,483 4.625,484 0.185,485 0.058,487 0.284,493 0.647,494 1,495 0.571,496 0.8,497 0.649,498 0.771,499 0.742,500 1.154,501 0.711,502 0.975,503 0.732,504 0.954,505 1.087,506 1.111,507 1.012,508 1.045,509 1.037,510 1.035,511 1.127,512 1.198,513 0.96,514 1.059,515 1.031,516 1.042,517 1.034,518 1.003,519 0.653,520 0.784,521 0.874,522 0.81,523 1.183,524 0.863,525 0.903,526 0.846,527 1.108,528 0.925,529 0.58,530 0.996,531 0.789,532 1.07,533 0.729,534 1.098,535 0.655,536 1.086,537 0.906,538 1.158,539 0.779,540 1.175,541 4,542 0.029,543 2.222,544 1.188,545 1.24,546 0.542,547 0.405,548 0.302,549 0.2,550 0.117,551 7458,552 21561,553 2.179,554 37.5,556 10,558 2,559 1,560 2,564 1.681,565 2.113,566 3.346,567 -0.356,573 59.835,574 1.496,575 3.216,576 4.091,577 4.722,578 4.822,579 4.872,580 2.953,581 4.324,582 4.61,583 3.486,584 1045.76,585 7.983,586 12517.9,588 1,591 212.877,592 1.078,593 4.606,594 0.143,595 0.002,596 0.058,597 0.031,598 0.038,599 0.016,600 0.012,601 0.01,602 0.01,603 0.008,604 0.329,605 0.33,606 1,607 0.372,608 120.213,609 0.065,610 0.037,611 0.023,612 0.023,613 0.004,614 0.028,615 0.025,616 -0.141,617 -0.022,618 -0.113,619 -0.008,620 -0.107,621 -0.096,622 -0.099,623 -0.117,624 -0.119,625 -0.114,626 -0.118,627 -0.129,628 -0.181,629 -0.088,630 -0.115,631 -0.092,632 -0.086,633 -0.048,634 0.071,635 0.077,636 0.126,637 0.049,638 0.126,639 -0.21,640 0.2,641 -0.136,642 0.051,643 -0.184,644 -0.025,645 0.141,646 -0.049,647 0.001,648 -0.109,649 0.062,650 -0.117,651 0.138,652 -0.184,653 0.054,654 -0.132,655 0.083,656 -0.126,657 0.964,658 1.836,659 0.88,660 23.142,661 1.001,662 1.111,663 4.196,664 17.604,665 0.736,666 3.367,667 3.664,668 3.932,669 4.205,670 4.489,671 4.489,672 4.654,673 4.812,674 4.927,675 4.934,676 6.034,677 0.702,678 346.84,679 3.367,680 4.89,681 5.733,682 6.6,683 7.462,684 8.336,685 9.208,686 10.087,687 10.964,688 11.846,689 10,697 1,699 3,703 2,704 12,705 3,709 5,711 23,724 1,730 1,731 40,733 23,734 2,735 28,737 43,738 20,739 19,740 4,741 8,746 4,747 5,748 1,758 1,761 19,762 1,781 15,782 4,783 1,784 5,785 1,790 4,794 0.75,804 1,805 1,812 4,816 1,840 3,845 1,848 25,854 1,855 1,869 1,877 11.833,878 7.243,879 5.5,880 2.316,881 3.948,882 1.535,883 1.037,884 4.384,885 11.331,886 3.701,887 4.337,888 4.951,889 5.564,890 6.178,891 6.381,892 6.84,893 7.327,894 7.786,895 8.027,896 1,897 38,898 9.15,900 3.847,901 7.611,902 17.582,904 14.353,905 2.111,906 52.778,909 1,910 164.795,911 135.065,912 68.122,913 39.149,917 135.065,918 203.944,919 68.122,921 2.535,922 94.762,923 73.654,924 53.451,925 2.328,926 141.253,927 39.149,928 164.795,929 203.188,931 39.149,933 164.795,937 41.397,938 111.679,939 89.26,941 164.795,942 68.122,943 174.214,946 164.795,947 22.208,948 112.857,949 18.011,950 89.26,951 164.795,952 68.122,953 174.214,955 0.572,956 0.329,957 0.183,958 0.108,959 19,960 7,961 0.093,962 4,963 1,964 1.091,965 3.806,966 209.623,967 0.091,968 22,969 108.096,974 15.707,975 6.978,976 3.506,977 2.127,978 68.122,979 23.267,980 12.929,984 4.465,986 18.011,987 407.132,988 39.5,999 40.033,1000 44.428,1001 0.281,1002 0.604,1003 0.769,1004 0.887,1005 0.906,1006 0.915,1007 4.896,1008 1.281,1009 5.687,1010 3.102,1011 4.344,1012 5.024,1013 0.809,1014 6.46,1015 4.269,1016 6.102,1017 1.013,1018 7.212,1019 2.852,1020 3.761,1021 4.691,1023 7.273,1024 3.613,1025 7.397,1026 1,1027 8.838,1028 2.575,1029 5.889,1030 7.267,1031 0.391,1032 10.395,1033 5.76,1034 8.73,1035 1,1036 10.528,1037 2.275,1038 6.155,1039 7.805,1041 12.104,1042 5.979,1043 10.095,1044 0.449,1045 12.262,1046 2.136,1047 7.713,1048 9.802,1049 0.187,1050 14.736,1051 7.545,1052 11.486,1053 0.02,1054 14.028,1055 1.119,1056 8.404,1057 10.798,1059 16.832,1060 8.209,1061 12.897,1062 -0.34,1063 15.817,1064 0.048,1065 9.711,1066 12.527,1067 0.089,1068 19.301,1069 9.512,1070 3.153,1071 -0.583,1072 17.626,1073 -0.814,1074 10.624,1075 13.773,1077 21.565,1078 10.407,1079 2.659,1080 10.902,1081 19.45,1082 -1.455,1083 11.821,1084 15.376,1085 0.042,1086 23.98,1087 11.595,1088 2.531,1089 8.069,1090 21.287,1091 4.543,1092 12.848,1093 16.755,1095 26.315,1096 12.606,1097 2.251,1098 7.166,1099 23.134,1100 3.625,1101 14.002,1102 18.301,1103 0.019,1104 28.712,1105 13.748,1106 2.007,1107 6.536,1108 24.99,1109 3.467,1110 15.085,1111 19.747,1113 31.076,1114 14.816,1115 1.831,1116 5.669,1117 26.854,1118 3.075,1119 16.224,1120 21.27,1121 0.009,1122 33.468,1123 15.942,1124 1.44,1125 4.855,1126 28.724,1127 2.76,1128 17.336,1129 22.75,1131 35.845,1132 17.039,1133 7000,1134 12027,1135 19.474,1136 29.449,1137 41.584,1138 41.973,1139 41.88,1140 41.449,1141 41.266,1142 58.109,1143 2.16,1144 114.607,1145 39.561,1146 5.378,1147 5.258,1148 6.509,1149 5.178,1150 5.153,1151 7.543,1152 1.36,1153 18.155,1154 5.096,1155 6.696,1156 1.485,1157 1.499,1158 1.496,1159 1.48,1160 1.474,1161 2.075,1162 0.077,1163 4.093,1164 1.413,1165 4.095,1166 4.126,1167 4.071,1168 4.02,1169 5.089,1170 4.025,1171 3.883,1172 3.913,1173 3.966,1174 3.826,1175 4.932,1176 3.818,1177 3.846,1178 3.882,1179 3.787,1180 3.757,1181 4.886,1182 3.758,1183 3.406,1184 3.47,1185 3.412,1186 3.24,1187 4.544,1188 3.253,1189 3.224,1190 3.285,1191 3.292,1192 3.077,1193 4.375,1194 3.085,1195 2.89,1196 2.946,1197 3.047,1198 2.785,1199 3.996,1200 2.771,1201 2.854,1202 2.925,1203 2.709,1204 2.735,1205 3.775,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.164,1214 0.116,1215 0.24,1216 0.148,1217 0.113,1218 4.596,1219 0.162,1220 3.258,1221 0.024,1222 6.707,1223 0.389,1224 4.135,1225 0.111,1226 3.153,1227 4.543,1228 0.68,1229 10.902,1230 3.096,1231 2.047,1232 2.023,1233 2.119,1234 2.141,1235 1.278,1236 2.135,1237 1.872,1238 1.847,1239 1.969,1240 1.966,1241 1.07,1242 1.974,1243 1.827,1244 1.793,1245 1.943,1246 1.929,1247 1.033,1248 1.939,1249 1.354,1250 1.298,1251 1.52,1252 1.553,1253 0.604,1254 1.544,1255 1.18,1256 1.127,1257 1.344,1258 1.376,1259 0.418,1260 1.378,1261 0.886,1262 0.821,1263 1.181,1264 1.062,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.845,1274 0.803,1275 1.122,1276 1.044,1277 0.202,1278 1.066,1279 4.043,1281 5.342,1283 6.851,1285 8.455,1287 10.108,1290 5.947,1295 0.72,1296 3.323,1305 28.074,1306 59.835,1307 128.638,1308 163.658,1309 188.877,1310 192.877,1311 194.877,1312 28.938,1313 7.383,1314 50.7,1315 50.7,1316 24,1317 12.382,1318 4.585,1319 3.644,1320 35.852,1321 89,1322 97,1323 0.197,1324 176.352,1325 291.69,1326 422.06,1327 15672,1328 2.5,1329 17.062,1330 0.682,1331 0.564,1332 17.562,1333 14.111,1334 12.293,1335 0.439,1336 0.298,1337 7.92,1338 11.714,1339 7.714,1340 6.399,1341 12.582,1342 8.33,1343 10.811,1344 0.285,1345 0.162,1346 11.219,1347 6.141,1348 9.126,1349 0.183,1350 0.085,1351 9.415,1352 4.244,1353 7.644,1354 0.116,1355 0.044,1356 7.811,1357 2.872,1358 6.731,1359 0.076,1360 0.023,1361 6.967,1362 2.061,1363 0.306,1364 78.749,1365 0.227,1366 24.261,1367 0.551,1368 132,1369 355.472,1370 154.458,1371 388.218,1372 533.19,1373 364,1374 154,1375 381.691,1376 171.363,1377 400.645,1378 578.74,1379 378,1380 5}
{0 CHEMBL103667,1 1.476,2 15.333,3 5.907,4 34.897,5 153.448,6 6.944,7 0.512,8 4.416,9 4.543,10 3.928,11 3.926,12 5.446,13 3.899,14 4.975,15 5.161,16 4.296,17 4.324,18 5.966,19 4.279,20 5.224,21 5.428,22 4.344,23 4.489,24 6.191,25 4.408,26 5.354,27 5.615,28 4.314,29 4.494,30 6.25,31 4.385,32 5.289,33 5.537,34 4.298,35 4.402,36 6.266,37 4.322,38 5.161,39 5.377,40 4.272,41 4.38,42 6.186,43 4.313,44 5.213,45 5.426,46 4.329,47 4.471,48 6.285,49 4.385,50 5.328,51 5.566,52 4.237,53 4.518,54 6.285,55 4.402,56 0.071,57 1.114,58 17.099,59 7.024,60 11.85,61 9.626,62 0.407,63 1.786,64 32.2,65 11.499,66 38.337,67 16.193,68 0.522,69 2.215,70 41.95,71 14.363,72 49.844,73 20.619,74 0.467,75 2.375,76 49.157,77 16.419,78 58.81,79 24.524,80 0.653,81 2.184,82 46.823,83 14.355,84 69.806,85 21.162,86 0.568,87 2.014,88 40.251,89 12.847,90 62.036,91 18.535,92 0.461,93 2.159,94 41.436,95 14.686,96 73.226,97 21.166,98 0.588,99 2.318,100 47.773,101 16.237,102 80.539,103 23.357,104 27,105 61,106 0.226,107 0.537,108 0.702,109 0.788,110 0.812,111 0.816,112 3.693,113 0.941,114 -5.07,115 -4.97,116 -4.65,119 40.8,120 4,123 1,125 6,142 11,143 3,144 3,146 1,153 1,159 1,166 1,172 15,175 7,178 3,179 1,180 3,183 18,186 2,187 11,190 1,192 3,195 14,198 1,199 11,202 1,204 8,207 6,211 1,212 8,215 2,217 9,220 6,223 1,224 11,229 6,232 11,236 1,237 13,240 1,242 7,245 11,250 9,253 1,255 1,258 12,262 1,263 8,268 1,271 23,275 3163,276 26.126,277 26.126,278 26.126,279 26.126,280 26.126,281 23.423,282 36.989,283 15.44,284 26.724,285 21.281,286 21.281,287 21.281,288 21.281,289 21.281,290 17.125,291 47.755,292 7.396,293 22.217,294 4.772,295 2.742,296 1.666,297 1.109,298 0.948,299 0.922,300 4.396,305 1,306 1298,307 4.359,310 114.727,311 481.223,315 186.324,318 2.479,319 29.015,322 0.75,323 0.83,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.81,330 83.5,331 598,332 4.594,333 3.613,334 7.139,335 4.35,336 3.366,337 4.54,338 1.656,339 11.836,340 3.316,341 4.578,342 3.536,343 6.702,344 4.127,345 3.145,346 4.211,347 0.86,348 10.879,349 3.09,350 4.199,351 3.227,352 6.493,353 3.921,354 2.963,355 3.597,356 0.86,357 10.131,358 2.833,359 3.865,360 3.067,361 5.74,362 3.496,363 2.54,364 3.226,365 0.8,366 7.766,367 2.449,368 3.751,369 2.893,370 5.388,371 3.436,372 2.505,373 3.142,374 0.247,375 6.968,376 2.325,377 3.541,378 2.607,379 5.339,380 3.358,381 2.387,382 2.819,384 6.89,385 2.29,386 3.493,387 2.558,388 5.051,389 3.117,390 2.149,391 2.652,393 6.04,394 2.068,395 3.333,396 2.177,397 4.897,398 2.913,399 1.937,400 2.516,402 5.529,403 1.887,404 3.228,405 2.106,406 4.668,407 2.794,408 1.8,409 2.453,411 4.897,412 1.783,413 2.784,414 2.025,415 4.433,416 2.444,417 1.557,418 1.922,420 3.995,421 1.373,422 2.669,423 1.571,424 3.952,425 2.293,426 1.327,427 1.71,428 3.269,429 1.286,430 2.6,431 1.484,432 3.81,433 2.267,434 1.289,435 1.609,436 2.868,437 1.251,438 2.5,439 1.287,440 3.647,441 2.093,442 1.173,443 1.5,445 2.824,446 1.07,447 2.471,448 1.256,449 3.596,450 2,451 1,452 1.461,454 2.727,455 1,456 2.387,457 1.078,458 3.414,459 1.952,460 1,461 1.337,463 2.275,464 0.946,465 18.5,466 0.474,467 1.069,468 0.027,469 48.25,470 1.237,471 23,472 0.59,473 25.25,474 0.647,475 39.35,476 1.009,477 42.7,478 0.562,479 40.967,480 1.05,481 9.39,482 0.241,483 9.385,484 0.241,485 0.126,486 0.027,487 0.286,493 0.823,494 1.355,495 0.848,496 1.168,497 0.701,498 1.032,499 1.066,500 1.074,501 0.877,502 0.93,503 0.65,504 0.888,505 1.194,506 1.173,507 1.133,508 1.094,509 0.997,510 1.101,511 0.848,512 1.07,513 0.894,514 0.991,515 0.789,516 0.946,517 1.337,518 0.979,519 0.964,520 0.871,521 1.263,522 0.863,523 1.433,524 1.037,525 1.075,526 0.924,527 1.478,528 0.939,529 0.944,530 1.197,531 1.016,532 1.117,533 1.482,534 1.078,535 1.284,536 0.945,537 1.167,538 0.976,539 2.046,540 1.041,541 8.5,542 0.325,543 4.444,544 2.438,545 2.225,546 1.507,547 1.122,548 0.646,549 0.637,550 0.365,551 26024,552 58050,553 2.088,554 48.7,555 12,556 23,559 2,564 1.794,565 1.958,566 3.818,567 0.111,573 112.148,574 1.476,575 3.506,576 4.582,577 5.139,578 5.3,579 5.326,580 3.329,581 4.785,582 5.253,583 4.051,584 3002.02,585 9.269,586 52076,591 474.842,592 1.496,593 5.213,594 0.198,595 0.007,596 0.073,597 0.04,598 0.038,599 0.026,600 0.02,601 0.011,602 0.012,603 0.007,604 0.431,605 0.17,606 0.75,607 0.651,608 220.011,609 0.029,610 -0.126,611 0.071,612 -0.067,613 -0.056,614 -0.005,615 0.06,616 0.049,617 0.102,618 0.09,619 0.119,620 0.094,621 -0.074,622 -0.076,623 -0.149,624 -0.098,625 -0.071,626 -0.131,627 0.045,628 -0.067,629 0.091,630 -0.024,631 0.071,632 0.032,633 -0.034,634 0.03,635 0.066,636 0.065,637 0.065,638 0.078,639 -0.118,640 0.032,641 -0.06,642 0.044,643 -0.046,644 0.01,645 0.049,646 -0.131,647 -0.043,648 -0.107,649 0.091,650 -0.089,651 -0.195,652 0.079,653 -0.175,654 0.005,655 -0.305,656 -0.068,657 2.005,658 6.244,659 0.692,660 51.546,661 0.995,662 1.128,663 3.837,664 14.725,665 0.652,666 3.784,667 4.127,668 4.369,669 4.635,670 4.89,671 4.977,672 5.075,673 5.165,674 5.313,675 5.366,676 8.816,677 0.614,678 527.73,679 3.784,680 5.342,681 6.188,682 7.074,683 7.942,684 8.832,685 9.711,686 10.604,687 11.488,688 12.383,689 6.6,692 1,696 2,697 1,699 1,703 2,704 11,705 1,709 6,710 1,711 22,729 1,731 76,733 23,734 3,735 43,737 80,738 31,739 19,740 6,741 10,746 5,747 6,751 1,752 4,753 1,761 20,762 11,766 1,771 1,775 1,781 37,782 7,783 2,784 8,790 5,794 0.8,795 3,803 1,811 1,812 4,816 1,836 1,839 1,840 4,844 4,848 39,854 6,855 2,856 2,859 1,860 1,870 3.9,873 1,874 1,875 1,877 19.917,878 14.767,879 8.389,880 4.573,881 4.045,882 1.479,883 0.975,884 8.336,885 12.497,886 4.025,887 4.627,888 5.201,889 5.808,890 6.349,891 6.657,892 7.013,893 7.346,894 7.713,895 7.802,896 1,897 61,898 14.458,900 6.092,901 7.583,902 28.075,904 23.074,905 2.083,906 81.25,910 411.989,911 188.083,912 57.585,914 47.145,917 188.083,918 459.133,919 57.585,920 35.301,921 56.116,922 104.239,923 52.808,924 40.074,925 4.276,926 411.989,928 411.989,929 245.668,930 47.145,933 411.989,934 36.145,935 11,937 101.402,938 127.603,939 16.663,941 411.989,942 104.73,943 188.083,946 411.989,947 48.543,948 144.44,949 36.022,950 63.808,951 411.989,952 104.73,953 188.083,955 0.586,956 0.329,957 0.176,958 0.103,959 29,960 13,961 0.1,962 8,963 1,964 1.074,965 4.894,966 385.073,967 0.074,968 27,969 193.376,974 27.35,975 11.887,976 6.683,977 1.871,978 102.954,979 21.784,980 4.812,984 5.055,985 1.781,986 36.022,987 704.801,988 55,993 13.244,997 -0.338,999 75.629,1000 85.763,1001 0.236,1002 0.561,1003 0.733,1004 0.822,1005 0.848,1006 0.853,1007 5.281,1008 1.937,1009 6.196,1010 6.04,1011 4.812,1012 5.316,1013 2.274,1014 7.029,1015 4.737,1016 6.494,1017 1.8,1018 7.772,1019 5.529,1020 4.511,1021 5.182,1022 1.305,1023 8.116,1024 4.43,1025 7.813,1026 1.557,1027 9.458,1028 4.897,1029 6.46,1030 7.526,1031 2.627,1032 11.162,1033 6.326,1034 9.168,1035 1.327,1036 11.212,1037 3.995,1038 6.976,1039 8.228,1040 2.354,1041 13.082,1042 6.845,1043 10.558,1044 1.289,1045 13.012,1046 3.269,1047 8.428,1048 10.072,1049 3.315,1050 15.702,1051 8.256,1052 11.972,1053 1.173,1054 14.844,1055 2.868,1056 9.309,1057 11.176,1058 3.414,1059 17.936,1060 9.137,1061 13.406,1062 1,1063 16.699,1064 2.824,1065 10.577,1066 12.813,1067 4.177,1068 20.428,1069 10.378,1070 3.366,1071 1,1072 18.572,1073 2.727,1074 11.623,1075 14.116,1076 4.466,1077 22.783,1078 11.419,1079 3.145,1080 11.836,1081 20.459,1082 2.275,1083 12.826,1084 15.665,1085 5.117,1086 25.235,1087 12.603,1088 2.963,1089 10.879,1090 22.356,1091 4.54,1092 13.946,1093 17.066,1094 5.504,1095 27.64,1096 13.716,1097 2.54,1098 10.131,1099 24.263,1100 4.211,1101 15.13,1102 18.579,1103 6.093,1104 30.083,1105 14.884,1106 2.505,1107 7.766,1108 26.176,1109 3.597,1110 16.285,1111 20.028,1112 6.531,1113 32.509,1114 16.029,1115 2.387,1116 6.968,1117 28.094,1118 3.226,1119 17.466,1120 21.529,1121 7.084,1122 34.951,1123 17.197,1124 2.149,1125 6.89,1126 30.018,1127 3.142,1128 18.638,1129 23.001,1130 7.551,1131 37.389,1132 18.358,1133 24443,1134 36729,1135 28.72,1136 49.574,1137 65.312,1138 66.112,1139 65.558,1140 64.61,1141 64.651,1142 82.321,1143 8.846,1144 187.972,1145 62.139,1146 5.594,1147 5.613,1148 6.941,1149 5.453,1150 5.366,1151 7.54,1152 2.912,1153 19.07,1154 5.316,1155 19.333,1156 1.519,1157 1.537,1158 1.525,1159 1.503,1160 1.504,1161 1.914,1162 0.206,1163 4.371,1164 1.445,1165 4.112,1166 4.142,1167 4.073,1168 4.047,1169 7.431,1170 4.048,1171 4.037,1172 4.073,1173 4,1174 3.922,1175 4.985,1176 3.933,1177 3.82,1178 3.869,1179 3.743,1180 3.737,1181 4.932,1182 3.734,1183 3.807,1184 3.859,1185 3.685,1186 3.586,1187 4.647,1188 3.601,1189 3.593,1190 3.656,1191 3.496,1192 3.417,1193 4.629,1194 3.424,1195 3.5,1196 3.546,1197 3.392,1198 3.374,1199 4.501,1200 3.374,1201 3.427,1202 3.478,1203 3.321,1204 3.194,1205 4.288,1206 3.213,1207 3.289,1208 3.343,1209 3.166,1210 3.059,1211 4.219,1212 3.081,1213 0.107,1214 0.084,1215 0.166,1216 0.101,1217 0.078,1218 4.594,1219 0.106,1220 3.613,1221 0.039,1222 7.139,1223 0.275,1224 4.35,1225 0.077,1226 3.366,1227 4.54,1228 1.656,1229 11.836,1230 3.316,1231 2.066,1232 2.051,1233 2.137,1234 2.136,1235 1.294,1236 2.136,1237 1.925,1238 1.894,1239 2.04,1240 2.032,1241 1.249,1242 2.033,1243 1.784,1244 1.737,1245 1.992,1246 1.982,1247 1.211,1248 1.977,1249 1.735,1250 1.673,1251 1.955,1252 1.919,1253 1.145,1254 1.946,1255 1.523,1256 1.477,1257 1.687,1258 1.765,1259 0.925,1260 1.73,1261 1.46,1262 1.413,1263 1.645,1264 1.656,1265 0.825,1266 1.662,1267 1.353,1268 1.295,1269 1.598,1270 1.576,1271 0.72,1272 1.584,1273 1.222,1274 1.154,1275 1.513,1276 1.464,1277 0.689,1278 1.472,1279 4.466,1281 5.802,1282 2.398,1283 7.323,1284 4.727,1285 8.929,1286 6.862,1287 10.581,1289 8.366,1295 4.856,1296 6.053,1297 11.589,1300 2.346,1301 -0.17,1305 46.68,1306 112.148,1307 266.431,1308 348.22,1309 390.539,1310 402.803,1311 404.803,1312 68.386,1313 8.452,1314 80.65,1315 80.65,1316 29,1317 12.911,1318 4.585,1319 3.7,1320 61.501,1321 207,1322 229,1323 0.142,1324 284.925,1325 491.79,1326 686.977,1327 65902,1329 27.407,1330 0.703,1331 0.594,1332 27.407,1333 23.16,1334 18.775,1335 0.437,1336 0.314,1337 13.293,1338 18.05,1339 12.824,1340 10.687,1341 18.775,1342 13.481,1343 17.699,1344 0.29,1345 0.18,1346 17.699,1347 10.951,1348 13.957,1349 0.179,1350 0.088,1351 13.957,1352 6.899,1353 11.568,1354 0.113,1355 0.045,1356 11.568,1357 4.605,1358 9.739,1359 0.074,1360 0.024,1361 9.739,1362 3.204,1363 0.228,1364 117.51,1365 0.187,1366 35.501,1367 0.379,1368 208,1369 552.808,1370 227.848,1371 532.378,1372 740.08,1373 502,1374 243,1375 556.217,1376 263.768,1377 563.342,1378 824.66,1379 529,1380 5}
{0 CHEMBL104468,1 1.48,2 7.762,3 2.732,4 7.465,5 79.978,6 7.815,7 0.458,8 3.719,9 3.807,10 3.347,11 3.291,12 4.802,13 3.288,14 4.276,15 4.411,16 3.716,17 3.687,18 5.342,19 3.675,20 4.519,21 4.692,22 3.797,23 3.821,24 5.562,25 3.786,26 4.495,27 4.666,28 3.696,29 3.744,30 5.612,31 3.692,32 4.426,33 4.626,34 3.547,35 3.63,36 5.468,37 3.567,38 4.247,39 4.428,40 3.395,41 3.488,42 5.374,43 3.432,44 4.122,45 4.29,46 3.196,47 3.39,48 5.286,49 3.303,50 4.062,51 4.3,52 2.791,53 3.255,54 4.864,55 3.078,56 0.024,57 0.476,58 6.652,59 3.436,60 4.146,61 4.026,62 0.222,63 0.82,64 13.717,65 5.687,66 15.037,67 6.68,68 0.316,69 1.018,70 19.153,71 7.489,72 24.586,73 9.094,74 0.386,75 0.954,76 18.956,77 7.628,78 37.052,79 9.258,80 0.377,81 0.889,82 18.794,83 7.154,84 32.445,85 8.922,86 0.233,87 0.763,88 14.877,89 5.74,90 32.664,91 6.93,92 0.291,93 0.672,94 12.718,95 5.115,96 39.156,97 6.166,98 0.099,99 0.636,100 12.704,101 5.48,102 16.444,103 7.465,104 2,105 34,106 0.267,107 0.607,108 0.721,109 0.789,110 0.823,111 0.833,112 3.105,113 0.889,114 -3.32,115 -3.3,116 -3.17,119 47.2,125 4,135 1,139 1,142 6,143 3,144 1,157 1,172 9,174 1,175 6,183 12,186 1,187 4,195 10,198 2,199 7,207 7,211 1,212 7,220 4,224 5,232 2,236 1,237 4,245 1,250 3,263 3,275 493,276 14.637,277 14.637,278 14.637,279 14.637,280 14.637,281 13.076,282 13.258,283 8.697,284 14.98,285 11.881,286 11.881,287 11.881,288 11.881,289 11.881,290 9.417,291 16.375,292 4.144,293 12.421,294 3.69,295 1.81,296 1.174,297 0.799,298 0.611,299 0.556,300 3.81,303 1,304 1,305 1,306 366,307 1.871,311 162.33,315 124.454,318 1.129,319 19.734,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 163,332 4.634,333 3.643,334 6.814,335 4.211,336 3.234,337 4.531,338 1.138,339 11.27,340 3.169,341 4.145,342 3.18,343 6.165,344 3.752,345 2.805,346 3.632,347 0.86,348 9.122,349 2.696,350 3.806,351 3.032,352 5.954,353 3.513,354 2.527,355 3.069,356 0.643,357 8.264,358 2.436,359 3.342,360 2.45,361 5.102,362 2.903,363 1.93,364 2.655,366 5.77,367 1.872,368 3.101,369 2.226,370 4.547,371 2.73,372 1.806,373 2.3,375 4.669,376 1.671,377 2.948,378 1.773,379 4.249,380 2.544,381 1.552,382 2.016,384 3.782,385 1.52,386 2.728,387 1.613,388 3.629,389 2.268,390 1.275,391 1.754,393 2.926,394 1.26,395 2.36,396 1.385,397 3.583,398 2.02,399 1.133,400 1.315,402 2.732,403 0.995,404 2.198,405 1.256,406 3.375,407 1.952,408 1,409 1.102,411 2.136,412 0.946,413 2,414 1.014,415 3.247,416 1.79,417 0.813,418 1,420 1.961,421 0.79,422 1.442,423 0.558,424 2.802,425 0.925,426 -0.057,427 -0.078,428 -0.151,429 -0.055,430 1.003,431 -0.087,432 2.709,433 0.584,434 -0.395,435 -0.512,436 -1.05,437 -0.384,438 0.883,439 -0.353,440 2.335,441 0.434,442 -0.586,443 -0.753,445 -1.395,446 -0.593,447 0.547,448 -0.36,449 2.261,450 0.249,451 -0.7,452 -0.911,454 -1.716,455 -0.66,456 0.319,457 -0.51,458 2,459 0.007,460 -0.967,461 -1,463 -2.347,464 -0.846,465 9.9,466 0.471,467 0.432,468 0.021,469 27.5,470 1.31,471 13.5,472 0.643,473 14,474 0.667,475 14.586,476 0.695,477 21.9,478 0.608,479 18.662,480 0.889,481 5.588,482 0.266,483 4.739,484 0.226,485 0.034,487 0.343,493 0.752,494 1.223,495 0.694,496 1.062,497 0.56,498 0.901,499 1.115,500 0.967,501 0.911,502 0.893,503 0.698,504 0.858,505 1.141,506 0.898,507 0.945,508 0.887,509 0.892,510 0.871,511 1.081,512 1.051,513 1.021,514 1.063,515 0.98,516 1.044,517 1.095,518 0.929,519 0.949,520 0.892,521 1.103,522 0.897,523 1.285,524 1.077,525 1.12,526 1.026,527 1.997,528 1.036,529 1.111,530 1.105,531 1.332,532 1.168,533 1.973,534 1.266,535 0.479,536 1.22,537 1.154,538 1.352,539 0.507,540 1.381,541 3,543 2.444,544 1.188,545 1.262,546 0.854,547 0.327,548 0.134,549 0.053,550 0.023,551 4268,552 10935,553 2.215,554 41.7,556 15,564 1.637,565 2.136,566 2.974,567 -0.797,568 1,569 1,571 1,573 53.272,574 1.48,575 3.36,576 3.996,577 4.371,578 4.559,579 4.614,580 2.412,581 4.107,582 4.366,583 3.048,584 640.135,585 7.505,586 6499.67,587 1,588 1,589 1,590 1,591 186.117,592 1.166,593 4.35,594 0.125,596 0.072,597 0.033,598 0.041,599 0.032,600 0.014,601 0.007,602 0.005,603 0.005,604 0.333,605 0.83,606 1,607 0.418,608 92.287,609 -0.017,610 -0.167,611 0.077,612 -0.08,613 -0.023,614 -0.003,615 -0.088,616 0.098,617 -0.026,618 0.055,619 -0.03,620 0.034,621 -0.087,622 0.12,623 0.006,624 0.069,625 -0.025,626 0.061,627 0.052,628 -0.094,629 -0.054,630 -0.091,631 0.064,632 -0.096,633 0.006,634 0.018,635 0.059,636 0.083,637 -0.022,638 0.079,639 -0.185,640 -0.087,641 -0.15,642 -0.07,643 -0.208,644 -0.097,645 -0.059,646 -0.113,647 -0.396,648 -0.209,649 -0.183,650 -0.336,651 0.036,652 -0.297,653 -0.207,654 -0.35,655 -0.025,656 -0.33,657 1.663,658 5.368,659 0.952,660 13.261,661 1.007,662 1.112,663 2.089,664 4.364,665 0.686,666 3.219,667 3.555,668 3.892,669 4.205,670 4.511,671 4.605,672 4.779,673 4.898,674 5.017,675 4.956,676 4.667,677 0.663,678 281.33,679 3.219,680 4.762,681 5.638,682 6.532,683 7.427,684 8.33,685 9.232,686 10.139,687 11.045,688 11.954,689 2.8,692 1,703 2,704 6,709 2,711 11,716 1,729 1,731 36,733 13,734 2,735 24,737 39,738 17,739 10,740 4,741 6,742 3,746 4,747 7,761 13,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 15,782 4,784 4,790 1,794 0.5,795 3,812 4,816 2,831 1,836 1,839 1,840 2,848 21,854 4,856 2,859 1,870 8.3,873 1,874 1,875 1,877 9.833,878 6.533,879 4.556,880 2.236,881 2.834,882 1.387,883 1.029,884 3.077,885 10.16,886 3.481,887 4.086,888 4.732,889 5.353,890 5.969,891 6.346,892 6.791,893 7.196,894 7.589,895 7.636,896 1,897 36,898 7.796,900 3.414,901 7.69,902 15.017,904 12.716,905 2.19,906 46,907 0.001,910 176.567,911 103.253,912 3.124,914 47.145,917 103.253,918 223.711,919 3.124,921 13.396,922 66.334,923 41.278,924 32.514,926 176.567,928 176.567,929 106.377,930 47.145,933 176.567,934 36.145,935 11,937 16.52,938 80.38,939 9.476,941 176.567,942 50.269,943 103.253,946 176.567,947 36.919,948 69.458,950 47.145,951 176.567,952 50.269,953 103.253,955 0.58,956 0.351,957 0.202,958 0.116,959 19,960 7,961 0.026,962 1,963 2,964 1.2,965 3.345,966 174.85,967 0.2,968 20,969 86.239,974 12.719,975 5.08,976 2.178,977 2.05,978 50.269,979 11.761,984 1.299,987 330.088,988 31.5,993 12.368,995 1.586,997 0.635,999 36.269,1000 40.033,1001 0.286,1002 0.65,1003 0.773,1004 0.846,1005 0.882,1006 0.893,1007 4.725,1008 1.133,1009 5.617,1010 2.926,1011 4.234,1012 4.771,1013 1.724,1014 6.46,1015 4.16,1016 5.925,1017 1,1018 7.188,1019 2.732,1020 3.761,1021 4.59,1022 0.325,1023 7.413,1024 3.681,1025 7.24,1026 0.813,1027 8.865,1028 2.136,1029 5.844,1030 7.008,1031 1.676,1032 10.567,1033 5.712,1034 8.594,1035 -0.057,1036 10.607,1037 1.961,1038 6.236,1039 7.715,1040 0.424,1041 12.371,1042 6.103,1043 9.986,1044 -0.395,1045 12.39,1046 -0.151,1047 7.762,1048 9.592,1049 1.733,1050 15.03,1051 7.587,1052 11.405,1053 -0.586,1054 14.2,1055 -1.05,1056 8.564,1057 10.721,1058 0.581,1059 17.176,1060 8.383,1061 12.844,1062 -0.7,1063 16.03,1064 -1.395,1065 9.859,1066 12.377,1067 1.843,1068 19.668,1069 9.646,1070 3.234,1071 -0.967,1072 17.874,1073 -1.716,1074 10.852,1075 13.708,1076 0.788,1077 21.96,1078 10.63,1079 2.805,1080 11.27,1081 19.729,1082 -2.347,1083 12.055,1084 15.272,1085 1.986,1086 24.396,1087 11.808,1088 2.527,1089 9.122,1090 21.592,1091 4.531,1092 13.138,1093 16.698,1094 1.027,1095 26.754,1096 12.877,1097 1.93,1098 8.264,1099 23.461,1100 3.632,1101 14.308,1102 18.226,1103 2.153,1104 29.173,1105 14.026,1106 1.806,1107 5.77,1108 25.337,1109 3.069,1110 15.431,1111 19.695,1112 1.284,1113 31.561,1114 15.134,1115 1.552,1116 4.669,1117 27.217,1118 2.655,1119 16.591,1120 21.21,1121 2.337,1122 33.977,1123 16.276,1124 1.275,1125 3.782,1126 29.101,1127 2.3,1128 17.735,1129 22.7,1130 1.553,1131 36.38,1132 17.403,1133 3990,1134 6481,1135 16.701,1136 24.699,1137 36.533,1138 37.809,1139 36.663,1140 36.117,1141 36.148,1142 46.747,1143 5.281,1144 105.267,1145 34.711,1146 5.634,1147 5.643,1148 6.616,1149 5.315,1150 5.234,1151 7.531,1152 2.22,1153 18.664,1154 5.169,1155 5.265,1156 1.522,1157 1.575,1158 1.528,1159 1.505,1160 1.506,1161 1.948,1162 0.22,1163 4.386,1164 1.446,1165 4.114,1166 4.126,1167 4.08,1168 4.061,1169 7.428,1170 4.063,1171 3.813,1172 3.86,1173 3.732,1174 3.639,1175 4.954,1176 3.657,1177 3.612,1178 3.633,1179 3.528,1180 3.465,1181 4.663,1182 3.473,1183 3.291,1184 3.329,1185 3.191,1186 3.175,1187 4.528,1188 3.174,1189 3.111,1190 3.206,1191 2.908,1192 2.941,1193 4.202,1194 2.91,1195 2.985,1196 3.025,1197 2.866,1198 2.891,1199 3.831,1200 2.885,1201 2.913,1202 2.931,1203 2.844,1204 2.666,1205 3.58,1206 2.697,1207 2.636,1208 2.701,1209 2.472,1210 2.405,1211 3.475,1212 2.413,1213 0.193,1214 0.152,1215 0.284,1216 0.175,1217 0.135,1218 4.634,1219 0.189,1220 3.643,1221 0.047,1222 6.814,1223 0.47,1224 4.211,1225 0.132,1226 3.234,1227 4.531,1228 1.138,1229 11.27,1230 3.169,1231 2.081,1232 2.07,1233 2.15,1234 2.149,1235 1.3,1236 2.147,1237 1.744,1238 1.703,1239 1.928,1240 1.963,1241 1.199,1242 1.955,1243 1.57,1244 1.539,1245 1.713,1246 1.726,1247 0.825,1248 1.719,1249 1.279,1250 1.243,1251 1.513,1252 1.43,1253 0.782,1254 1.443,1255 1.153,1256 1.064,1257 1.46,1258 1.376,1259 0.528,1260 1.429,1261 0.987,1262 0.948,1263 1.197,1264 1.13,1265 0.304,1266 1.151,1267 0.78,1268 0.753,1269 1.048,1270 1.092,1271 0.193,1272 1.063,1273 0.607,1274 0.532,1275 0.912,1276 0.865,1277 0.03,1278 0.874,1279 3.892,1281 5.22,1283 6.777,1285 8.436,1287 10.148,1295 2.826,1297 11.413,1300 2.062,1305 23.853,1306 53.272,1307 120.956,1308 143.853,1309 157.362,1310 164.117,1311 166.117,1312 27.742,1313 7.326,1314 42.68,1315 42.68,1316 24,1317 12.471,1318 3.807,1319 3.087,1320 27.836,1321 59,1322 58,1323 0.24,1324 142.558,1325 250.31,1326 339.601,1327 14021,1329 14.234,1330 0.678,1331 0.55,1332 14.234,1333 11.542,1334 10.326,1335 0.43,1336 0.296,1337 7.001,1338 9.903,1339 6.894,1340 5.622,1341 10.326,1342 7.111,1343 9.22,1344 0.271,1345 0.153,1346 9.22,1347 5.212,1348 8.235,1349 0.172,1350 0.082,1351 8.235,1352 3.929,1353 7.241,1354 0.11,1355 0.043,1356 7.241,1357 2.811,1358 6.252,1359 0.069,1360 0.022,1361 6.252,1362 2,1363 0.359,1364 64.928,1365 0.245,1366 20.265,1367 0.713,1368 116,1369 346.852,1370 127.715,1371 325.524,1372 450.61,1373 308,1374 140,1375 333.362,1376 152.576,1377 333.365,1378 497.26,1379 316,1380 4.886}
{0 CHEMBL105442,1 1.983,2 9.88,3 4.908,4 24.087,5 99.228,6 12.274,7 0.444,8 3.792,9 3.884,10 3.775,11 3.435,12 5.022,13 3.394,14 4.273,15 4.4,16 4.197,17 3.786,18 5.534,19 3.708,20 4.519,21 4.69,22 4.354,23 3.863,24 6.008,25 3.773,26 4.473,27 4.655,28 4.497,29 3.765,30 5.852,31 3.678,32 4.37,33 4.525,34 4.097,35 3.624,36 5.907,37 3.633,38 4.392,39 4.524,40 4.225,41 3.733,42 6.046,43 3.707,44 4.409,45 4.554,46 4.266,47 3.714,48 5.974,49 3.646,50 4.31,51 4.504,52 4.362,53 3.646,54 5.56,55 3.482,56 0.19,57 0.668,58 0.871,59 3.405,60 18.075,61 3.508,62 0.379,63 1.031,64 4.693,65 6.413,66 38.569,67 6.332,68 0.857,69 1.404,70 33.685,71 9.985,72 101.366,73 8.732,74 0.789,75 1.191,76 46.152,77 9.47,78 78.619,79 7.529,80 0.793,81 1.123,82 12.827,83 6.22,84 106.151,85 5.258,86 0.863,87 1.152,88 19.438,89 7.893,90 106.636,91 6.804,92 0.91,93 1.123,94 11.633,95 7.74,96 109.321,97 6.234,98 0.65,99 1.068,100 22.075,101 9.053,102 79.569,103 7.243,104 26,105 38,106 0.355,107 0.704,108 0.829,109 0.891,110 0.891,111 0.891,112 3.267,113 1.004,114 -5.59,115 -5.46,116 -5.09,119 43.6,121 2,122 1,125 1,142 5,143 1,144 6,158 1,168 1,172 6,175 2,178 1,180 3,183 5,186 1,187 4,192 6,195 3,199 2,202 1,203 1,204 4,207 3,212 2,215 1,217 1,220 5,224 3,229 1,232 7,237 4,242 4,245 7,250 3,255 2,258 3,263 1,268 1,271 2,275 1031,276 16.499,277 16.499,278 16.499,279 16.499,280 16.499,281 14.722,282 16.843,283 9.551,284 17.054,285 13.256,286 13.256,287 13.256,288 13.256,289 13.256,290 10.619,291 19.271,292 4.509,293 14.337,294 3.302,295 1.356,296 0.657,297 0.308,298 0.308,299 0.308,300 3.932,301 1,304 1,305 1,306 524,307 3.317,308 51.118,311 170.887,318 1.485,319 42.023,322 0.75,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.84,330 55.733,331 247,332 4.52,333 4.041,334 6.732,335 4.133,336 3.167,337 4.211,338 2.095,339 10.87,340 3.063,341 4.208,342 3.49,343 6.052,344 3.738,345 2.821,346 3.862,347 0.776,348 8.685,349 2.636,350 3.839,351 3.218,352 5.862,353 3.652,354 2.662,355 3.193,356 0.4,357 7.781,358 2.547,359 3.654,360 3.189,361 5.492,362 3.461,363 2.496,364 2.787,366 7.387,367 2.371,368 3.475,369 2.638,370 5.038,371 2.985,372 2.138,373 2.658,375 5.926,376 1.771,377 3.169,378 2.623,379 4.887,380 2.738,381 1.829,382 2.366,384 5.201,385 1.487,386 2.872,387 2.437,388 4.209,389 2.474,390 1.519,391 1.964,393 3.779,394 1.423,395 2.82,396 1.985,397 4.146,398 2.33,399 1.414,400 1.946,402 3.641,403 1.226,404 2.241,405 1.85,406 3.475,407 2.022,408 1.065,409 1.187,411 2.393,412 0.999,413 1.75,414 1.153,415 3.246,416 1.412,417 0.548,418 0.629,420 1.357,421 0.415,422 1.375,423 1.013,424 2.793,425 1.135,426 0.174,427 0.193,428 0.394,429 0.158,430 1.225,431 0.664,432 2.687,433 0.941,434 0.072,435 0.082,436 0.165,437 0.047,438 1.171,439 0.378,440 2.417,441 0.721,442 -0.199,443 -0.25,445 -0.481,446 -0.117,447 0.797,448 0.195,449 2.359,450 0.255,451 -0.514,452 -0.621,454 -1.242,455 -0.207,456 0.427,457 -0.151,458 2.114,459 0.223,460 -0.742,461 -0.817,463 -1.619,464 -0.623,465 12.895,466 0.516,467 0.72,468 0.029,469 29.75,470 1.19,471 14,472 0.56,473 15.75,474 0.63,475 22.959,476 0.918,477 26.705,478 0.685,479 21.203,480 0.848,481 5.645,482 0.226,483 6.307,484 0.252,485 0.253,487 0.349,491 2,493 0.58,494 0.846,495 0.467,496 0.56,497 0.516,498 0.716,499 0.758,500 1.038,501 0.575,502 0.692,503 0.609,504 0.911,505 0.816,506 0.989,507 0.951,508 0.953,509 0.752,510 0.933,511 1.243,512 0.96,513 0.713,514 0.725,515 1.133,516 0.79,517 1.27,518 0.935,519 0.351,520 0.491,521 1.313,522 0.702,523 1.042,524 1.118,525 0.598,526 0.728,527 1.132,528 0.838,529 1.249,530 1.123,531 0.595,532 0.71,533 1.459,534 0.976,535 1.157,536 1.085,537 1.055,538 1.051,539 1.182,540 1.055,541 5.5,542 0.09,543 3.611,544 1.91,545 1.623,546 0.976,547 0.691,548 0.441,549 0.261,550 0.148,551 6836,552 26239,553 2.015,554 35.9,555 4,556 7,559 2,561 1,564 1.685,565 1.852,566 3.247,567 0.352,572 1,573 77.341,574 1.983,575 3.93,576 4.629,577 4.978,578 4.978,579 4.978,580 2.713,581 4.484,582 4.61,583 3.422,584 1026.7,585 8.004,586 12430.5,591 206.131,592 1.516,593 4.555,594 0.204,595 0.008,596 0.103,597 0.05,598 0.048,599 0.029,600 0.019,601 0.014,602 0.011,603 0.009,604 0.495,605 0.33,606 0.75,607 0.65,608 119.967,609 0.003,610 0.042,611 -0.002,612 0.03,613 -0.014,614 0.043,615 -0.034,616 -0.177,617 0.009,618 -0.003,619 0.014,620 -0.066,621 0.148,622 -0.026,623 -0.043,624 -0.031,625 0.167,626 0.005,627 -0.151,628 0.005,629 0.059,630 0.106,631 -0.11,632 0.12,633 -0.1,634 0.097,635 0.009,636 0.06,637 -0.058,638 0.08,639 0.169,640 -0.015,641 -0.016,642 -0.013,643 0.153,644 0.01,645 -0.017,646 -0.032,647 -0.005,648 0.008,649 -0.085,650 -0.127,651 -0.131,652 -0.081,653 0.035,654 0.011,655 -0.157,656 -0.033,657 2.829,658 6.277,659 0.6,660 22.128,661 1.034,662 1.13,663 4.357,664 18.986,665 0.754,666 3.332,667 3.664,668 3.85,669 4.025,670 4.234,671 4.29,672 4.277,673 4.304,674 4.369,675 4.29,676 5.899,677 0.708,678 478.68,679 3.332,680 4.875,681 5.72,682 6.592,683 7.454,684 8.329,685 9.198,686 10.075,687 10.947,688 11.826,689 5.1,696 1,697 1,704 5,709 7,711 12,724 1,730 4,731 39,733 13,734 2,735 27,737 41,738 17,739 12,740 7,741 5,742 1,746 3,747 3,748 1,755 2,756 1,758 2,761 13,762 4,763 1,766 1,771 1,775 1,779 2,781 14,782 6,783 2,784 8,785 2,786 1,790 2,794 1,795 2,809 1,812 2,834 1,840 3,845 1,846 2,847 1,848 25,854 3,855 2,856 1,858 1,869 4,870 5.1,873 1,874 1,877 13.5,878 6.905,879 5.472,880 2.282,881 2.424,882 1.356,883 0.995,884 6.015,885 9.226,886 3.555,887 4.143,888 4.635,889 5.119,890 5.636,891 5.809,892 5.966,893 6.235,894 6.586,895 6.773,896 0.857,897 38,898 9.366,900 4.171,901 8.176,902 17.112,904 14.073,905 2.676,906 66.898,910 141.253,911 150.631,912 38.636,913 39.149,914 36.364,915 29.92,916 56.782,917 93.849,918 216.766,919 68.556,921 30.287,922 47.381,923 41.068,924 50.112,925 29.92,926 198.035,927 39.149,928 141.253,929 132.485,930 66.284,931 39.149,932 56.782,933 159.402,934 36.916,935 11.219,937 48.297,938 84.187,939 39.149,940 56.782,941 171.173,942 75,943 132.997,944 56.782,946 141.253,947 46.467,948 104.163,949 38.636,950 105.433,951 141.253,952 104.92,953 132.997,954 56.782,955 0.59,956 0.327,957 0.16,958 0.086,959 18,960 9,961 0.146,962 6,964 1,965 3.689,966 201.789,968 15,969 114.096,974 18.668,975 8.055,976 4.954,978 104.92,979 7.132,984 -1.033,986 38.636,987 435.952,988 34,993 12.261,997 -0.663,999 40.345,1000 44.081,1001 0.375,1002 0.744,1003 0.876,1004 0.942,1005 0.942,1006 0.942,1007 4.804,1008 1.414,1009 5.72,1010 3.779,1011 4.344,1012 4.828,1013 2.425,1014 6.526,1015 4.201,1016 6.027,1017 1.065,1018 7.292,1019 3.641,1020 4.111,1021 4.783,1023 7.493,1024 3.865,1025 7.346,1026 0.548,1027 8.964,1028 2.393,1029 5.964,1030 7.004,1031 3.697,1032 10.527,1033 5.74,1034 8.695,1035 0.174,1036 10.69,1037 1.357,1038 6.463,1039 7.7,1041 12.261,1042 6.162,1043 10.072,1044 0.072,1045 12.45,1046 0.394,1047 7.855,1048 9.477,1049 5.14,1050 14.869,1051 7.563,1052 11.468,1053 -0.199,1054 14.234,1055 0.165,1056 8.679,1057 10.52,1059 16.941,1060 8.328,1061 12.88,1062 -0.514,1063 16.036,1064 -0.481,1065 9.898,1066 12.113,1067 6.612,1068 19.4,1069 9.54,1070 3.167,1071 -0.742,1072 17.852,1073 -1.242,1074 10.876,1075 13.332,1077 21.633,1078 10.471,1079 2.821,1080 10.87,1081 19.679,1082 -1.619,1083 12.028,1084 14.839,1085 8.09,1086 24.038,1087 11.606,1088 2.662,1089 8.685,1090 21.516,1091 4.211,1092 13.08,1093 16.152,1095 26.348,1096 12.619,1097 2.496,1098 7.781,1099 23.362,1100 3.862,1101 14.21,1102 17.615,1103 9.57,1104 28.735,1105 13.726,1106 2.138,1107 7.387,1108 25.215,1109 3.193,1110 15.3,1111 18.978,1113 31.082,1114 14.782,1115 1.829,1116 5.926,1117 27.074,1118 2.787,1119 16.425,1120 20.421,1121 11.049,1122 33.464,1123 15.882,1124 1.519,1125 5.201,1126 28.938,1127 2.658,1128 17.536,1129 21.811,1131 35.83,1132 16.961,1133 6676,1134 13255,1135 17.512,1136 29.404,1137 40.142,1138 44.575,1139 41.981,1140 40.177,1141 39.811,1142 50.157,1143 6.542,1144 115.158,1145 36.289,1146 5.489,1147 6.041,1148 6.296,1149 5.183,1150 5.167,1151 7.211,1152 4.191,1153 18.175,1154 5.063,1155 13.855,1156 1.487,1157 1.651,1158 1.555,1159 1.488,1160 1.474,1161 1.858,1162 0.242,1163 4.265,1164 1.344,1165 4.002,1166 4.027,1167 10.695,1168 4.034,1169 8.239,1170 3.925,1171 3.897,1172 3.945,1173 4.017,1174 3.851,1175 8.161,1176 3.8,1177 3.841,1178 3.858,1179 3.88,1180 3.788,1181 7.429,1182 3.775,1183 3.395,1184 3.426,1185 3.768,1186 3.381,1187 4.937,1188 3.15,1189 3.093,1190 3.156,1191 3.361,1192 3.089,1193 4.681,1194 2.986,1195 2.991,1196 3.04,1197 3.249,1198 2.796,1199 4.487,1200 2.77,1201 2.879,1202 2.922,1203 2.945,1204 2.768,1205 4.32,1206 2.735,1207 2.794,1208 2.844,1209 2.872,1210 2.716,1211 4.161,1212 2.678,1213 0.167,1214 0.15,1215 0.249,1216 0.153,1217 0.117,1218 4.52,1219 0.156,1220 4.041,1221 0.078,1222 6.732,1223 0.403,1224 4.133,1225 0.113,1226 3.167,1227 4.211,1228 2.095,1229 10.87,1230 3.063,1231 1.93,1232 1.912,1233 1.975,1234 2.036,1235 1.118,1236 2.022,1237 1.823,1238 1.809,1239 1.866,1240 1.883,1241 1.031,1242 1.896,1243 1.429,1244 1.379,1245 1.676,1246 1.699,1247 1.015,1248 1.68,1249 1.153,1250 1.123,1251 1.513,1252 1.425,1253 0.825,1254 1.429,1255 1.147,1256 1.064,1257 1.26,1258 1.376,1259 0.284,1260 1.385,1261 1.028,1262 0.979,1263 1.163,1264 1.232,1265 0.252,1266 1.234,1267 0.868,1268 0.824,1269 1.093,1270 1.016,1271 0.17,1272 1.059,1273 0.735,1274 0.702,1275 1.006,1276 0.995,1277 0.134,1278 0.973,1279 4.007,1280 1.946,1281 5.333,1282 3.714,1283 6.849,1284 5.416,1285 8.454,1286 7.086,1287 10.105,1290 6.12,1291 27.921,1292 2.081,1295 2.541,1296 4.968,1297 5.118,1299 0.452,1305 27.598,1306 77.341,1307 153.26,1308 180.521,1309 194.131,1310 194.131,1311 194.131,1312 67.312,1313 6.802,1314 50.36,1315 50.36,1316 15,1317 12.364,1318 3.807,1319 3,1320 41.529,1321 83,1322 98,1323 0.234,1324 181.063,1325 317.51,1326 433.555,1327 7431,1328 10.3,1329 17.974,1330 0.719,1331 0.633,1332 18.234,1333 15.827,1334 11.952,1335 0.443,1336 0.335,1337 7.543,1338 10.41,1339 7.35,1340 6.016,1341 12.286,1342 9.033,1343 10.984,1344 0.289,1345 0.194,1346 11.547,1347 7.371,1348 8.673,1349 0.189,1350 0.096,1351 8.734,1352 4.406,1353 6.499,1354 0.118,1355 0.053,1356 7.314,1357 2.937,1358 5.021,1359 0.074,1360 0.026,1361 5.349,1362 1.741,1363 0.36,1364 92.629,1365 0.239,1366 24.228,1367 0.661,1368 130,1369 542.211,1370 310.958,1371 536.301,1372 679.55,1373 494,1374 152,1375 425.256,1376 229.623,1377 439.453,1378 642.94,1379 412,1380 5}
{0 CHEMBL1076864,1 1.538,2 18.378,3 4.365,4 19.05,5 174.675,6 6.976,7 0.353,8 4.585,9 4.719,10 4.11,11 4.045,12 5.559,13 4.033,14 5.194,15 5.393,16 4.491,17 4.471,18 6.144,19 4.434,20 5.473,21 5.711,22 4.55,23 4.665,24 6.334,25 4.588,26 5.531,27 5.785,28 4.487,29 4.66,30 6.419,31 4.553,32 5.501,33 5.778,34 4.467,35 4.589,36 6.439,37 4.498,38 5.334,39 5.572,40 4.466,41 4.542,42 6.24,43 4.476,44 5.325,45 5.535,46 4.493,47 4.632,48 6.251,49 4.558,50 5.503,51 5.719,52 4.481,53 4.773,54 6.383,55 4.636,56 0.025,57 1.386,58 20.312,59 7.396,60 10.046,61 10.909,62 0.668,63 2.254,64 40.755,65 12.563,66 49.533,67 18.791,68 0.714,69 2.766,70 55.031,71 16.145,72 52.335,73 25.381,74 0.583,75 2.808,76 58.58,77 17.998,78 66.027,79 28.172,80 0.912,81 2.654,82 58.43,83 15.762,84 97.391,85 25.85,86 0.501,87 2.453,88 47.529,89 14.101,90 51.961,91 22.235,92 0.741,93 2.546,94 46.079,95 14.709,96 51.491,97 22.403,98 0.41,99 2.818,100 54.295,101 22.464,102 61.542,103 31.588,104 11,105 72,106 0.23,107 0.508,108 0.69,109 0.794,110 0.826,111 0.829,112 3.832,113 0.957,114 -4.63,115 -4.55,116 -4.28,119 37.5,120 2,121 2,125 10,127 3,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 8,178 2,179 1,180 4,183 6,186 3,187 9,192 4,195 4,198 3,199 17,204 5,211 4,212 13,215 1,217 4,224 15,227 2,229 1,232 7,236 5,237 2,240 1,245 16,249 2,250 4,253 6,258 16,263 9,271 2,275 4772,276 31.143,277 31.143,278 31.143,279 31.143,280 31.143,281 28.981,282 51.064,283 18.229,284 32.141,285 25.156,286 25.156,287 25.156,288 25.156,289 25.156,290 21.774,291 80.386,292 8.615,293 26.763,294 4.921,295 3.057,296 1.836,297 1.142,298 0.926,299 0.904,300 4.555,306 1865,307 3.606,310 117.897,311 981.274,312 160.94,318 2.958,319 37.951,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 97.5,331 827,332 4.439,333 3.562,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.165,342 3.466,343 6.472,344 3.932,345 3.002,346 3.704,347 0.86,348 10.061,349 2.814,350 4.144,351 3.26,352 6.15,353 3.842,354 2.895,355 3.614,356 0.86,357 9.082,358 2.745,359 4.042,360 3.143,361 6.139,362 3.776,363 2.815,364 3.205,365 0.8,366 9.032,367 2.683,368 3.862,369 2.867,370 5.567,371 3.586,372 2.632,373 3.117,374 0.8,375 7.629,376 2.5,377 3.705,378 2.736,379 5.373,380 3.408,381 2.46,382 2.973,383 0.8,384 6.993,385 2.331,386 3.499,387 2.543,388 5.309,389 3.269,390 2.332,391 2.649,392 0.8,393 6.745,394 2.179,395 3.415,396 2.454,397 5.266,398 3.132,399 2.189,400 2.519,401 0.247,402 6.589,403 2.056,404 3.272,405 2.32,406 5.086,407 2.871,408 1.889,409 2.413,411 5.839,412 1.845,413 3.089,414 2.269,415 4.957,416 2.851,417 1.879,418 2.199,420 5.451,421 1.822,422 2.879,423 2.016,424 4.671,425 2.795,426 1.872,427 1.879,428 5.073,429 1.719,430 2.765,431 1.914,432 4.333,433 2.408,434 1.452,435 1.867,436 4.056,437 1.383,438 2.655,439 1.747,440 4.275,441 2.336,442 1.414,443 1.673,445 3.839,446 1.301,447 2.5,448 1.655,449 3.906,450 2.282,451 1.36,452 1.5,454 3.091,455 1.246,456 2.5,457 1.463,458 3.82,459 2.166,460 1.279,461 1.5,463 2.874,464 1.12,465 21.1,466 0.469,467 0.982,468 0.022,469 54.25,470 1.206,471 22,472 0.489,473 32.25,474 0.717,475 47.859,476 1.064,477 50.3,478 0.572,479 45.779,480 1.017,481 10.169,482 0.226,483 11.866,484 0.264,485 0.063,487 0.336,493 0.885,494 1.682,495 0.828,496 1.3,497 0.659,498 1.086,499 1.119,500 1.082,501 0.966,502 0.968,503 0.655,504 0.95,505 1.122,506 1.077,507 1.038,508 0.964,509 0.863,510 0.975,511 0.929,512 1.199,513 0.996,514 1.109,515 0.874,516 1.068,517 0.993,518 0.88,519 0.905,520 0.769,521 1.321,522 0.8,523 1.037,524 1.118,525 0.941,526 0.952,527 1.138,528 0.923,529 0.961,530 0.922,531 1.157,532 0.982,533 0.803,534 1.06,535 0.488,536 1.178,537 1.089,538 1.463,539 0.644,540 1.393,541 8.5,542 0.202,543 4.889,544 2.625,545 1.623,546 1.777,547 1.25,548 0.629,549 0.459,550 0.47,551 43746,552 93842,553 2.186,554 48.9,556 31,559 2,561 10,564 1.824,565 2.093,566 4.015,567 0.137,573 135.351,574 1.538,575 3.403,576 4.624,577 5.317,578 5.533,579 5.556,580 3.47,581 4.881,582 5.46,583 4.316,584 4272.85,585 9.655,586 85167.1,591 568.43,592 1.231,593 5.444,594 0.167,595 0.005,596 0.068,597 0.035,598 0.024,599 0.026,600 0.018,601 0.009,602 0.007,603 0.01,604 0.368,605 0.17,606 0.63,607 0.505,608 267.749,609 -0.021,610 -0.375,611 0.092,612 -0.151,613 -0.005,614 -0.033,615 0.061,616 0.088,617 0.026,618 0.042,619 0.127,620 0.021,621 -0.099,622 0.005,623 -0.051,624 0.022,625 -0.021,627 -0.03,628 -0.181,629 -0.019,630 -0.114,631 0.035,632 -0.075,633 0.009,634 0.121,635 0.101,636 0.159,637 -0.013,638 0.152,639 -0.084,640 -0.028,641 0.039,642 0.04,643 -0.062,644 0.058,645 -0.049,646 0.266,647 -0.197,648 0.045,649 -0.069,650 -0.069,651 0.153,652 -0.12,653 -0.178,654 -0.327,655 0.094,656 -0.311,657 1.958,658 5.828,659 0.844,660 66.67,661 0.999,662 1.138,663 3.403,664 11.579,665 0.64,666 3.951,667 4.29,668 4.595,669 4.883,670 5.136,671 5.263,672 5.447,673 5.609,674 5.759,675 5.927,676 10.531,677 0.606,678 613.85,679 3.951,680 5.509,681 6.375,682 7.261,683 8.138,684 9.029,685 9.913,686 10.808,687 11.696,688 12.593,689 10.2,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 88,733 19,734 2,735 51,737 94,738 33,739 15,740 4,741 8,746 7,747 8,751 1,752 2,755 5,758 5,761 16,762 17,766 1,771 1,775 1,781 43,782 12,783 2,784 12,790 9,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 2,848 45,854 12,855 2,856 2,858 3,859 4,870 3.4,873 1,874 2,877 21.5,878 16.067,879 9.778,880 5.715,881 3.433,882 1.367,883 0.989,884 9.262,885 12.782,886 4.127,887 4.649,888 5.16,889 5.704,890 6.24,891 6.517,892 6.957,893 7.339,894 7.65,895 8.022,896 0.917,897 75,898 16.75,900 7.215,901 7.53,902 32.936,904 27.999,905 2.03,906 91.333,910 482.615,911 151.391,912 98.875,914 47.145,917 151.391,918 529.76,919 98.875,920 17.65,921 72.094,922 75.81,923 97.501,924 26.281,925 8.074,926 482.615,928 482.615,929 250.266,930 47.145,933 367.232,934 142.856,935 22,937 96.667,938 100.915,939 50.357,941 482.615,942 146.02,943 151.391,946 482.615,947 57.931,948 105.958,949 36.022,950 97.501,951 482.615,952 146.02,953 151.391,955 0.583,956 0.346,957 0.189,958 0.102,959 36,960 15,961 0.074,962 7,963 2,964 1.079,965 5.515,966 479.376,967 0.105,968 37,969 229.133,974 30.483,975 13.673,976 6.846,978 146.02,979 15.711,980 14.872,984 5.479,986 36.022,987 780.026,988 61,993 12.828,997 -0.291,999 87.919,1000 100.171,1001 0.238,1002 0.527,1003 0.716,1004 0.823,1005 0.857,1006 0.86,1007 5.4,1008 2.189,1009 6.354,1010 6.745,1011 4.977,1012 5.338,1013 2.534,1014 7.168,1015 4.858,1016 6.558,1017 1.889,1018 7.91,1019 6.589,1020 4.511,1021 5.007,1022 1.577,1023 8.052,1024 4.335,1025 7.842,1026 1.879,1027 9.563,1028 5.839,1029 6.575,1030 7.368,1031 2.723,1032 11.157,1033 6.335,1034 9.152,1035 1.872,1036 11.274,1037 5.451,1038 6.938,1039 7.837,1040 2.438,1041 12.891,1042 6.632,1043 10.496,1044 1.452,1045 13.024,1046 5.073,1047 8.445,1048 9.694,1049 3.344,1050 15.505,1051 8.078,1052 11.861,1053 1.414,1054 14.8,1055 4.056,1056 9.2,1057 10.546,1058 3.434,1059 17.606,1060 8.76,1061 13.242,1062 1.36,1063 16.598,1064 3.839,1065 10.476,1066 12.181,1067 4.184,1068 20.057,1069 9.975,1070 3.226,1071 1.279,1072 18.411,1073 3.091,1074 11.423,1075 13.242,1076 4.471,1077 22.32,1078 10.846,1079 3.002,1080 11.305,1081 20.238,1082 2.874,1083 12.603,1084 14.762,1085 5.119,1086 24.722,1087 11.962,1088 2.895,1089 10.061,1090 22.075,1091 4.06,1092 13.644,1093 15.946,1094 5.505,1095 27.057,1096 12.925,1097 2.815,1098 9.082,1099 23.921,1100 3.704,1101 14.788,1102 17.402,1103 6.093,1104 29.448,1105 14.002,1106 2.632,1107 9.032,1108 25.774,1109 3.614,1110 15.875,1111 18.663,1112 6.531,1113 31.818,1114 15.011,1115 2.46,1116 7.629,1117 27.634,1118 3.205,1119 17.009,1120 20.084,1121 7.084,1122 34.212,1123 16.073,1124 2.332,1125 6.993,1126 29.5,1127 3.117,1128 18.121,1129 21.391,1130 7.551,1131 36.6,1132 17.107,1133 39605,1134 58312,1135 35.194,1136 56.359,1137 76.809,1138 77.831,1139 78.415,1140 76.418,1141 76.395,1142 90.622,1143 13.646,1144 221.069,1145 71.98,1146 5.439,1147 5.562,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 16.923,1156 1.506,1157 1.526,1158 1.538,1159 1.498,1160 1.498,1161 1.777,1162 0.268,1163 4.335,1164 1.411,1165 4.053,1166 4.104,1167 4.002,1168 3.917,1169 7.431,1170 3.928,1171 3.956,1172 4.006,1173 3.894,1174 3.844,1175 5.079,1176 3.849,1177 3.902,1178 3.943,1179 3.824,1180 3.777,1181 4.766,1182 3.784,1183 3.821,1184 3.875,1185 3.729,1186 3.625,1187 4.7,1188 3.642,1189 3.76,1190 3.823,1191 3.649,1192 3.581,1193 4.633,1194 3.588,1195 3.592,1196 3.65,1197 3.527,1198 3.37,1199 4.601,1200 3.405,1201 3.428,1202 3.501,1203 3.349,1204 3.208,1205 4.349,1206 3.212,1207 3.337,1208 3.4,1209 3.163,1210 3.095,1211 4.079,1212 3.119,1213 0.087,1214 0.07,1215 0.134,1216 0.081,1217 0.063,1218 4.439,1219 0.08,1220 3.562,1221 0.032,1222 6.819,1223 0.222,1224 4.152,1225 0.059,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.936,1232 1.904,1233 2.052,1234 2.082,1235 1.322,1236 2.071,1237 1.915,1238 1.88,1239 2.018,1240 2.066,1241 1.255,1242 2.052,1243 1.774,1244 1.719,1245 1.957,1246 1.976,1247 1.245,1248 1.972,1249 1.729,1250 1.66,1251 1.928,1252 1.922,1253 1.196,1254 1.923,1255 1.678,1256 1.627,1257 1.86,1258 1.902,1259 1.101,1260 1.895,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.066,1266 1.798,1267 1.453,1268 1.399,1269 1.729,1270 1.709,1271 0.914,1272 1.683,1273 1.403,1274 1.317,1275 1.64,1276 1.638,1277 0.894,1278 1.657,1279 4.635,1281 5.969,1282 2.398,1283 7.499,1284 4.844,1285 9.115,1286 6.986,1287 10.775,1289 4.341,1295 10.867,1296 5.895,1297 11.499,1299 0.736,1300 9.396,1305 53.293,1306 135.351,1307 299.436,1308 406.881,1309 467.901,1310 486.92,1311 488.92,1312 71.165,1313 9.349,1314 111.22,1315 111.22,1316 41,1317 13.119,1318 4.322,1319 3.459,1320 62.661,1321 286,1322 348,1323 0.103,1324 319.427,1325 559.21,1326 771.163,1327 199115,1329 30.752,1330 0.683,1331 0.582,1332 30.752,1333 26.191,1334 22.034,1335 0.432,1336 0.319,1337 15.979,1338 20.988,1339 15.668,1340 12.846,1341 22.034,1342 16.262,1343 19.846,1344 0.276,1345 0.171,1346 19.846,1347 12.331,1348 17.347,1349 0.177,1350 0.096,1351 17.347,1352 9.418,1353 14.926,1354 0.114,1355 0.052,1356 14.926,1357 6.78,1358 12.206,1359 0.072,1360 0.027,1361 12.206,1362 4.547,1363 0.169,1364 139.049,1365 0.169,1366 40.222,1367 0.266,1368 246,1369 657.388,1370 275.119,1371 623.899,1372 871.81,1373 592,1374 293,1375 655.487,1376 323.565,1377 656.215,1378 974.63,1379 620,1380 5.997}
{0 CHEMBL1077023,1 1.777,2 11.781,3 2.097,4 4.398,5 124.703,6 8.184,7 0.444,8 4.185,9 4.291,10 3.997,11 3.738,12 5.163,13 3.69,14 4.792,15 4.969,16 4.312,17 4.148,18 5.936,19 4.085,20 5.013,21 5.212,22 4.333,23 4.294,24 5.985,25 4.193,26 5.06,27 5.279,28 4.275,29 4.319,30 6.014,31 4.188,32 5.061,33 5.298,34 4.266,35 4.319,36 6.014,37 4.17,38 4.914,39 5.111,40 4.235,41 4.284,42 5.793,43 4.149,44 4.9,45 5.094,46 4.206,47 4.219,48 5.865,49 4.092,50 4.949,51 5.188,52 4.146,53 4.146,54 5.85,55 4.013,56 0.101,57 0.965,58 14.401,59 5.747,60 14.542,61 6.806,62 0.621,63 1.583,64 29.744,65 9.623,66 60.235,67 11.507,68 0.69,69 1.887,70 42.607,71 12.432,72 54.731,73 15.293,74 0.531,75 1.895,76 41.404,77 14.172,78 63.179,79 17.802,80 0.79,81 1.886,82 47.341,83 14.984,84 71.208,85 18.226,86 0.394,87 1.776,88 40.133,89 13.46,90 23.781,91 16.112,92 0.41,93 1.676,94 33.675,95 12.182,96 38.817,97 14.847,98 0.486,99 1.672,100 38.676,101 12.095,102 40.14,103 15.653,104 11,105 52,106 0.288,107 0.573,108 0.73,109 0.791,110 0.791,111 0.791,112 3.503,113 1.112,114 -2.31,115 -2.35,116 -2.31,119 36.2,124 1,125 9,142 3,143 1,145 2,146 1,147 1,149 1,152 2,172 2,174 5,175 5,183 2,186 2,187 10,198 1,199 3,207 1,211 6,212 2,220 3,223 2,224 3,232 2,236 2,237 4,249 1,250 9,262 3,275 1692,276 21.643,277 21.643,278 21.643,279 21.643,280 21.643,281 19.523,282 24.599,283 12.753,284 22.508,285 17.854,286 17.854,287 17.854,288 17.854,289 17.854,290 14.505,291 35.664,292 6.148,293 19.293,294 4.081,295 2.325,296 1.354,297 0.979,298 0.979,299 0.979,300 4.211,304 1,305 1,306 830,307 3.391,310 70.251,311 385.534,314 131.248,318 1.809,319 34.531,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 377,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.637,342 3.335,343 6.753,344 4.149,345 3.223,346 4.51,347 0.86,348 11.114,349 2.982,350 4.116,351 3.014,352 6.101,353 3.712,354 2.752,355 3.71,356 0.8,357 8.918,358 2.642,359 3.853,360 2.821,361 5.866,362 3.582,363 2.661,364 3.19,365 0.4,366 8.286,367 2.441,368 3.564,369 2.69,370 5.477,371 3.365,372 2.443,373 2.786,374 0.172,375 7.272,376 2.249,377 3.343,378 2.365,379 4.956,380 2.924,381 2,382 2.587,384 5.745,385 1.835,386 3.141,387 2.214,388 4.691,389 2.707,390 1.784,391 2.292,393 4.836,394 1.644,395 3.006,396 1.985,397 4.56,398 2.645,399 1.729,400 2.102,402 4.663,403 1.57,404 2.712,405 1.765,406 4.484,407 2.422,408 1.519,409 1.742,411 4.419,412 1.361,413 2.631,414 1.544,415 3.799,416 2.129,417 1.261,418 1.655,420 3.023,421 1.087,422 2.5,423 1.256,424 3.512,425 2.046,426 1.131,427 1.5,428 2.697,429 1.026,430 2.377,431 1.164,432 3.414,433 1.984,434 1,435 1.362,436 2.275,437 0.983,438 2,439 1.146,440 3.36,441 1.967,442 1,443 1,445 2.136,446 0.965,447 2,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.93,457 0.612,458 3.247,459 1.401,460 0.534,461 0.732,463 1.548,464 0.454,465 15.567,466 0.486,467 0.874,468 0.027,469 40,470 1.25,471 17.5,472 0.547,473 22.5,474 0.703,475 30.958,476 0.967,477 35.433,478 0.611,479 29.513,480 0.922,481 7.414,482 0.232,483 8.056,484 0.252,485 0.075,486 0.054,487 0.27,493 0.655,494 1.614,495 0.765,496 1.246,497 0.631,498 1.023,499 1.076,500 0.997,501 0.969,502 0.842,503 0.576,504 0.812,505 1.195,506 1.093,507 1.192,508 1.086,509 1.078,510 1.003,511 0.927,512 1.102,513 0.966,514 1.018,515 1.141,516 1.046,517 0.837,518 0.785,519 1.105,520 0.926,521 0.99,522 0.876,523 0.649,524 1.168,525 1.31,526 1.355,527 0.406,528 1.172,529 0.87,530 1.185,531 0.919,532 1.064,533 0.825,534 1.212,535 0.785,536 1.092,537 0.927,538 1.06,539 0.547,540 1.051,541 7,542 0.145,543 3.333,544 2.069,545 1.369,546 1.4,547 0.719,548 0.416,549 0.31,550 0.259,551 14533,552 42100,553 2.147,554 44.8,556 24,558 2,564 1.747,565 2.032,566 3.504,567 -0.65,569 1,573 103.048,574 1.777,575 3.533,576 4.504,577 4.879,578 4.879,579 4.879,580 2.966,581 4.226,582 4.967,583 3.719,584 1844.62,585 8.706,586 26727.4,591 339.763,592 1.438,593 4.937,594 0.194,595 0.005,596 0.064,597 0.041,598 0.029,599 0.029,600 0.015,601 0.01,602 0.008,603 0.008,604 0.403,605 0.33,606 0.63,607 0.633,608 167.486,609 0.069,610 -0.383,611 0.192,612 -0.138,613 -0.096,614 -0.032,615 0.011,616 0.142,617 0.008,618 0.141,619 0.239,620 0.111,621 -0.172,622 -0.019,623 -0.136,624 -0.042,625 -0.109,626 -0.037,627 -0.08,628 -0.114,629 -0.027,630 -0.035,631 -0.104,632 -0.045,633 0.028,634 0.217,635 -0.014,636 0.141,637 -0.067,638 0.138,639 -0.017,640 -0.061,641 -0.185,642 -0.195,643 -0.018,644 -0.134,645 -0.063,646 -0.148,647 -0.076,648 -0.123,649 -0.1,650 -0.234,651 -0.003,652 -0.1,653 0.029,654 -0.095,655 0.028,656 -0.059,657 4.038,658 4.782,659 0.844,660 35.305,661 1.01,662 1.131,663 1.08,664 1.167,665 0.678,666 3.611,667 3.97,668 4.234,669 4.522,670 4.796,671 4.949,672 5.176,673 5.347,674 5.472,675 5.642,676 7.138,677 0.636,678 474.67,679 3.611,680 5.176,681 6.033,682 6.929,683 7.806,684 8.707,685 9.595,686 10.5,687 11.394,688 12.302,689 10.3,692 2,695 1,699 3,703 2,704 5,705 3,708 1,709 4,711 16,726 1,731 58,733 18,735 36,737 62,738 21,739 11,746 5,747 6,761 11,762 10,766 2,769 1,771 2,778 1,781 26,782 9,784 11,785 2,790 6,794 0.8,795 3,805 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 32,852 1,854 9,856 1,859 3,865 1,870 5.2,873 2,874 1,877 15.75,878 10.7,879 6.778,880 3.457,881 2.974,882 1.363,883 1.011,884 6.3,885 11.171,886 3.85,887 4.474,888 4.99,889 5.601,890 6.168,891 6.588,892 7.117,893 7.581,894 7.894,895 8.269,896 0.875,897 51,898 12.032,900 5.339,901 7.711,902 23.166,904 19.768,905 2.211,906 70.75,910 306.049,911 126.814,912 58.124,914 55.313,916 37.085,917 89.728,918 361.361,919 58.124,920 7.19,921 23.925,922 34.236,923 129.212,924 33.52,925 4.432,926 313.784,928 306.049,929 147.852,930 55.313,931 37.085,933 308.377,934 44.313,935 11,937 48.807,938 46.361,939 56.164,940 31.278,941 306.049,942 113.437,943 126.814,945 5.807,946 306.049,947 67.292,948 61.481,950 105.669,951 306.049,952 113.437,953 126.814,955 0.59,956 0.332,957 0.178,958 0.1,959 27,960 11,961 0.081,962 5,963 1,964 1.074,965 4.315,966 305.54,967 0.074,968 27,969 146,970 1,973 1,974 21.961,975 9.18,976 4.914,977 2.039,978 113.437,979 9.524,980 13.921,983 1.728,984 3.82,987 546.299,988 46,991 -3.121,993 23.564,999 58.582,1000 65.61,1001 0.303,1002 0.603,1003 0.769,1004 0.833,1005 0.833,1006 0.833,1007 5.118,1008 1.729,1009 6.047,1010 4.836,1011 4.654,1012 5.162,1013 1.661,1014 6.897,1015 4.503,1016 6.339,1017 1.519,1018 7.631,1019 4.663,1020 4.369,1021 5.223,1022 0.57,1023 8.009,1024 4.139,1025 7.682,1026 1.261,1027 9.325,1028 4.419,1029 6.323,1030 7.458,1031 1.271,1032 11.053,1033 6.032,1034 9.066,1035 1.131,1036 11.088,1037 3.023,1038 6.858,1039 8.362,1040 0.581,1041 12.982,1042 6.485,1043 10.49,1044 1,1045 12.895,1046 2.697,1047 8.315,1048 10.134,1049 1.026,1050 15.597,1051 7.882,1052 11.94,1053 1,1054 14.733,1055 2.275,1056 9.207,1057 11.385,1058 0.515,1059 17.833,1060 8.692,1061 13.411,1062 1,1063 16.593,1064 2.136,1065 10.479,1066 12.993,1067 0.841,1068 20.318,1069 9.899,1070 3.314,1071 0.534,1072 18.47,1073 2.136,1074 11.531,1075 14.39,1076 0.441,1077 22.673,1078 10.87,1079 3.223,1080 11.657,1081 20.359,1082 1.548,1083 12.735,1084 15.938,1085 0.689,1086 25.12,1087 12.005,1088 2.752,1089 11.114,1090 22.258,1091 4.577,1092 13.857,1093 17.398,1094 0.373,1095 27.523,1096 13.047,1097 2.661,1098 8.918,1099 24.165,1100 4.51,1101 15.04,1102 18.922,1103 0.564,1104 29.961,1105 14.157,1106 2.443,1107 8.286,1108 26.079,1109 3.71,1110 16.193,1111 20.411,1112 0.314,1113 32.383,1114 15.232,1115 2,1116 7.272,1117 27.999,1118 3.19,1119 17.371,1120 21.927,1121 0.461,1122 34.82,1123 16.335,1124 1.784,1125 5.745,1126 29.923,1127 2.786,1128 18.539,1129 23.429,1130 0.264,1131 37.252,1132 17.426,1133 13588,1134 23277,1135 24.444,1136 39.307,1137 54.773,1138 56.091,1139 54.746,1140 54.848,1141 54.794,1142 69.592,1143 6.298,1144 161.706,1145 50.614,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.577,1152 1.776,1153 18.902,1154 5.013,1155 13.538,1156 1.521,1157 1.558,1158 1.521,1159 1.524,1160 1.522,1161 1.933,1162 0.175,1163 4.492,1164 1.406,1165 4.106,1166 4.13,1167 4.722,1168 4.072,1169 7.716,1170 4.029,1171 4.004,1172 4,1173 4.336,1174 3.953,1175 6.999,1176 3.829,1177 3.827,1178 3.862,1179 3.824,1180 3.75,1181 5.064,1182 3.742,1183 3.738,1184 3.786,1185 3.65,1186 3.534,1187 4.84,1188 3.543,1189 3.636,1190 3.668,1191 3.59,1192 3.468,1193 4.611,1194 3.445,1195 3.283,1196 3.34,1197 3.317,1198 3.118,1199 4.38,1200 3.123,1201 3.111,1202 3.206,1203 2.939,1204 2.941,1205 4.211,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.982,1212 2.91,1213 0.132,1214 0.122,1215 0.198,1216 0.118,1217 0.092,1218 4.743,1219 0.127,1220 4.375,1221 0.025,1222 7.111,1223 0.324,1224 4.248,1225 0.085,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.912,1232 1.879,1233 1.987,1234 2.059,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.968,1240 2.04,1241 1.217,1242 2.039,1243 1.745,1244 1.704,1245 1.909,1246 1.933,1247 1.013,1248 1.929,1249 1.626,1250 1.61,1251 1.716,1252 1.779,1253 0.986,1254 1.818,1255 1.565,1256 1.529,1257 1.599,1258 1.733,1259 0.841,1260 1.741,1261 1.402,1262 1.38,1263 1.513,1264 1.509,1265 0.825,1266 1.561,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.819,1278 1.429,1279 4.29,1281 5.638,1282 2.398,1283 7.177,1284 4.727,1285 8.797,1286 6.843,1287 10.462,1289 1.279,1295 6.315,1297 5.543,1300 6.138,1305 36.915,1306 103.048,1307 204.895,1308 261.234,1309 283.008,1310 283.008,1311 283.008,1312 54.269,1313 8.197,1314 91.76,1315 128.38,1316 29,1317 12.822,1318 4.248,1319 3.459,1320 45.605,1321 139,1322 132,1323 0.163,1324 229.767,1325 388.27,1326 552.392,1327 40907,1329 22.131,1330 0.692,1331 0.613,1332 22.735,1333 19.608,1334 15.47,1335 0.43,1336 0.371,1337 10.714,1338 13.511,1339 10.252,1340 8.355,1341 16.773,1342 13.348,1343 14.772,1344 0.284,1345 0.215,1346 16.802,1347 11.191,1348 11.887,1349 0.175,1350 0.121,1351 13.432,1352 8.242,1353 10.104,1354 0.111,1355 0.067,1356 11.558,1357 6.083,1358 8.4,1359 0.07,1360 0.036,1361 9.661,1362 4.288,1363 0.255,1364 110.905,1365 0.202,1366 29.797,1367 0.451,1368 176,1369 530.798,1370 254.532,1371 544.011,1372 741.42,1373 508,1374 208,1375 502.06,1376 293.309,1377 553.271,1378 810.67,1379 518,1380 5.538}
{0 CHEMBL1078983,1 1.572,2 11.235,3 3.274,4 10.72,5 129.299,6 7.163,7 0.447,8 4.287,9 4.402,10 3.828,11 3.744,12 5.32,13 3.742,14 4.875,15 5.058,16 4.198,17 4.139,18 5.87,19 4.125,20 5.095,21 5.293,22 4.299,23 4.32,24 6.053,25 4.278,26 5.166,27 5.398,28 4.281,29 4.368,30 6.134,31 4.297,32 5.175,33 5.4,34 4.279,35 4.391,36 6.139,37 4.305,38 5.23,39 5.492,40 4.238,41 4.339,42 6.161,43 4.265,44 5.074,45 5.279,46 4.23,47 4.307,48 6.041,49 4.239,50 5.147,51 5.377,52 4.153,53 4.346,54 6.019,55 4.249,56 0.049,57 0.966,58 14.513,59 5.832,60 11.336,61 7.9,62 0.517,63 1.547,64 29.403,65 9.453,66 38.037,67 13.014,68 0.601,69 1.893,70 36.976,71 11.521,72 42.716,73 16.756,74 0.706,75 2.061,76 40.045,77 12.279,78 59.545,79 18.523,80 0.462,81 2.078,82 39.512,83 13.106,84 50.654,85 19.91,86 0.749,87 2.074,88 44.227,89 11.802,90 71.485,91 18.914,92 0.595,93 1.87,94 35.649,95 11.552,96 45.72,97 17.092,98 0.531,99 1.912,100 39.098,101 13.204,102 47.437,103 19.294,104 21,105 54,106 0.25,107 0.562,108 0.769,109 0.817,110 0.817,111 0.817,112 3.561,113 0.928,114 -4.18,115 -4.12,116 -3.9,119 38.5,120 2,124 1,125 7,127 2,142 5,143 3,144 1,146 1,147 1,149 1,150 1,172 6,174 5,175 10,180 1,183 6,186 2,187 10,192 1,195 5,198 5,199 8,202 1,204 2,207 6,211 3,212 8,217 1,220 4,223 1,224 8,227 1,229 1,232 2,236 5,237 13,242 1,245 2,249 1,250 8,253 1,255 1,258 2,263 3,271 4,275 2116,276 23.359,277 23.359,278 23.359,279 23.359,280 23.359,281 21.515,282 30.611,283 13.622,284 24.229,285 18.677,286 18.677,287 18.677,288 18.677,289 18.677,290 15.636,291 44.995,292 6.341,293 20.02,294 4.451,295 2.493,296 1.198,297 0.896,298 0.896,299 0.896,300 4.27,304 1,305 1,306 834,307 2.828,311 477.692,315 145.804,318 1.706,319 33.116,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 74.5,331 382,332 4.611,333 3.357,334 6.739,335 4.157,336 3.211,337 4.531,338 0.86,339 11.05,340 3.048,341 4.322,342 3.19,343 6.281,344 3.939,345 2.967,346 3.982,347 0.86,348 9.534,349 2.882,350 3.998,351 3.166,352 6.156,353 3.766,354 2.844,355 3.438,356 0.86,357 9.147,358 2.614,359 3.911,360 2.838,361 6.003,362 3.596,363 2.648,364 3.189,365 0.8,366 8.568,367 2.51,368 3.625,369 2.726,370 5.711,371 3.34,372 2.412,373 2.915,374 0.8,375 7.614,376 2.235,377 3.456,378 2.505,379 5.284,380 3.188,381 2.266,382 2.556,383 0.765,384 6.699,385 2.072,386 3.052,387 2.205,388 4.717,389 2.839,390 1.879,391 2.168,393 4.963,394 1.794,395 2.923,396 2.127,397 4.618,398 2.697,399 1.787,400 2.104,402 4.911,403 1.622,404 2.919,405 2.093,406 4.44,407 2.56,408 1.613,409 2.056,411 4.282,412 1.523,413 2.879,414 1.621,415 4.338,416 2.457,417 1.495,418 1.879,420 4.042,421 1.435,422 2.625,423 1.603,424 4.256,425 2.276,426 1.355,427 1.65,428 3.782,429 1.239,430 2.385,431 1.421,432 3.793,433 2.109,434 1.223,435 1.373,436 3.01,437 1.078,438 2.106,439 1.256,440 3.438,441 1.952,442 1,443 1.018,445 2.136,446 0.946,447 2,448 1.03,449 3.247,450 1.724,451 0.801,452 1,454 2.088,455 0.735,456 1.878,457 0.935,458 3.051,459 1.563,460 0.652,461 0.779,463 1.198,464 0.587,465 15.833,466 0.466,467 0.794,468 0.023,469 41.25,470 1.213,471 17.5,472 0.515,473 23.75,474 0.699,475 33.956,476 0.999,477 38.167,478 0.587,479 33.554,480 0.987,481 8.025,482 0.236,483 8.525,484 0.251,485 0.116,487 0.366,493 0.919,494 1.59,495 0.807,496 1.297,497 0.941,498 1.072,499 1.311,500 0.949,501 0.922,502 0.852,503 0.986,504 0.824,505 1.212,506 1.217,507 0.995,508 0.97,509 0.854,510 0.951,511 0.836,512 0.967,513 0.99,514 0.912,515 0.885,516 0.95,517 0.641,518 1.329,519 0.958,520 1.182,521 0.799,522 1.128,523 0.987,524 0.887,525 0.968,526 0.764,527 1.121,528 0.815,529 0.84,530 1.172,531 1.066,532 1.128,533 0.783,534 1.123,535 0.84,536 0.989,537 1.057,538 1.07,539 0.738,540 1.084,541 7,542 0.256,543 3.778,544 2.125,545 2.396,546 1.299,547 0.792,548 0.743,549 0.443,550 0.362,551 15774,552 39172,553 2.127,554 47.7,556 24,559 1,561 6,564 1.767,565 2,566 3.455,567 -0.334,573 102.168,574 1.572,575 3.529,576 4.824,577 5.126,578 5.126,579 5.126,580 2.882,581 4.499,582 5.057,583 3.636,584 2039.86,585 8.908,586 30321.7,591 391.454,592 1.379,593 5.023,594 0.184,595 0.007,596 0.07,597 0.036,598 0.042,599 0.023,600 0.015,601 0.014,602 0.009,603 0.008,604 0.409,605 0.33,606 0.75,607 0.753,608 179.451,609 -0.043,610 -0.334,611 0.08,612 -0.15,613 -0.089,614 -0.035,615 -0.101,616 0.176,617 0.064,618 0.151,619 -0.023,620 0.133,621 -0.121,622 -0.129,623 -0.019,624 0.035,625 -0.035,626 0.02,628 0.145,629 -0.031,630 0.054,631 0.005,632 0.015,633 0.056,634 -0.235,635 -0.029,636 -0.165,637 0.021,638 -0.124,639 -0.097,640 0.174,641 0.022,642 0.146,643 -0.091,644 0.125,645 0.041,646 -0.042,647 -0.12,648 -0.121,649 0.028,650 -0.144,651 -0.044,652 0.07,653 -0.113,654 -0.056,655 0.008,656 -0.082,657 1.606,658 3.744,659 0.824,660 35.557,661 1.005,662 1.134,663 2.95,664 8.703,665 0.642,666 3.664,667 4.007,668 4.317,669 4.625,670 4.92,671 5.063,672 5.288,673 5.481,674 5.697,675 5.832,676 6.901,677 0.613,678 465.61,679 3.664,680 5.22,681 6.089,682 6.984,683 7.87,684 8.771,685 9.665,686 10.57,687 11.47,688 12.377,689 7.7,695 2,699 3,703 2,704 5,705 3,709 6,711 17,726 2,729 1,731 65,733 17,734 1,735 38,737 69,738 25,739 13,740 3,741 3,746 5,747 6,752 3,755 2,758 2,761 13,762 12,781 31,782 9,783 1,784 9,790 5,794 0.8,795 4,796 1,805 1,806 1,812 5,816 1,838 1,839 2,840 4,844 3,848 34,853 1,854 7,856 3,858 2,859 2,870 6.2,871 1,874 2,875 1,877 17,878 12.533,879 7.5,880 3.983,881 3.317,882 1.397,883 0.96,884 6.839,885 11.675,886 3.861,887 4.454,888 5.074,889 5.696,890 6.334,891 6.761,892 7.284,893 7.764,894 8.269,895 8.629,896 1,897 59,898 12.613,900 5.364,901 7.618,902 24.459,904 20.303,905 2.118,906 72,910 353.133,911 116.409,912 56.605,914 75.683,917 116.409,918 428.816,919 56.605,920 28.533,921 17.608,922 90.065,923 72.356,924 35.908,925 4.227,926 353.133,928 353.133,929 173.014,930 75.683,933 284.222,934 81.626,935 64.683,937 39.914,938 81.028,939 50.357,941 353.133,942 132.288,943 116.409,946 353.133,947 40.494,948 82.163,950 126.04,951 353.133,952 132.288,953 116.409,955 0.58,956 0.348,957 0.197,958 0.11,959 27,960 12,961 0.072,962 5,963 1,964 1.071,965 4.345,966 338.753,967 0.071,968 28,969 162.974,974 23.245,975 10.004,976 4.849,977 1.566,978 132.288,979 9.733,980 14.848,984 4.614,986 42.683,987 601.83,988 46.5,999 65.305,1000 73.727,1001 0.261,1002 0.586,1003 0.801,1004 0.851,1005 0.851,1006 0.851,1007 5.125,1008 1.787,1009 6.08,1010 4.963,1011 4.691,1012 5.142,1013 2.143,1014 6.915,1015 4.564,1016 6.316,1017 1.613,1018 7.65,1019 4.911,1020 4.29,1021 4.987,1022 0.57,1023 7.832,1024 4.121,1025 7.625,1026 1.495,1027 9.317,1028 4.282,1029 6.308,1030 7.343,1031 1.773,1032 10.946,1033 6.071,1034 8.968,1035 1.355,1036 11.041,1037 4.042,1038 6.711,1039 8.032,1040 0.479,1041 12.672,1042 6.434,1043 10.346,1044 1.223,1045 12.801,1046 3.782,1047 8.197,1048 9.887,1049 1.474,1050 15.298,1051 7.863,1052 11.748,1053 1,1054 14.586,1055 3.01,1056 8.978,1057 10.98,1058 0.346,1059 17.371,1060 8.603,1061 13.168,1062 0.801,1063 16.388,1064 2.136,1065 10.246,1066 12.625,1067 1.214,1068 19.823,1069 9.82,1070 3.211,1071 0.652,1072 18.204,1073 2.088,1074 11.209,1075 13.92,1076 0.237,1077 22.054,1078 10.74,1079 2.967,1080 11.05,1081 20.03,1082 1.198,1083 12.387,1084 15.475,1085 0.986,1086 24.446,1087 11.871,1088 2.844,1089 9.534,1090 21.865,1091 4.531,1092 13.438,1093 16.871,1094 0.158,1095 26.752,1096 12.878,1097 2.648,1098 9.147,1099 23.706,1100 3.982,1101 14.583,1102 18.389,1103 0.788,1104 29.127,1105 13.977,1106 2.412,1107 8.568,1108 25.554,1109 3.438,1110 15.677,1111 19.836,1112 0.104,1113 31.472,1114 15.025,1115 2.266,1116 7.614,1117 27.406,1118 3.189,1119 16.812,1120 21.34,1121 0.621,1122 33.847,1123 16.114,1124 1.879,1125 6.699,1126 29.263,1127 2.915,1128 17.928,1129 22.814,1130 0.068,1131 36.212,1132 17.184,1133 14898,1134 23614,1135 25.66,1136 41.745,1137 57.146,1138 58.231,1139 58.884,1140 56.915,1141 56.984,1142 70.016,1143 9.889,1144 166.954,1145 53.217,1146 5.611,1147 5.357,1148 6.541,1149 5.263,1150 5.211,1151 7.531,1152 1.72,1153 18.292,1154 5.048,1155 15.985,1156 1.504,1157 1.532,1158 1.55,1159 1.498,1160 1.5,1161 1.843,1162 0.26,1163 4.394,1164 1.4,1165 4.102,1166 4.14,1167 4.075,1168 3.99,1169 6.457,1170 4.005,1171 3.905,1172 3.932,1173 3.857,1174 3.802,1175 5.112,1176 3.813,1177 3.806,1178 3.853,1179 3.704,1180 3.622,1181 4.825,1182 3.634,1183 3.716,1184 3.767,1185 3.606,1186 3.506,1187 4.662,1188 3.521,1189 3.387,1190 3.452,1191 3.32,1192 3.217,1193 4.621,1194 3.225,1195 3.367,1196 3.437,1197 3.151,1198 3.203,1199 4.504,1200 3.19,1201 3.24,1202 3.303,1203 3.07,1204 3.008,1205 4.258,1206 3.013,1207 3.204,1208 3.263,1209 3.053,1210 2.955,1211 4.087,1212 2.965,1213 0.121,1214 0.088,1215 0.177,1216 0.109,1217 0.084,1218 4.611,1219 0.119,1220 3.357,1221 0.023,1222 6.739,1223 0.291,1224 4.157,1225 0.08,1226 3.211,1227 4.531,1228 0.86,1229 11.05,1230 3.048,1231 2.018,1232 1.991,1233 2.08,1234 2.152,1235 1.269,1236 2.129,1237 1.868,1238 1.841,1239 1.986,1240 2.006,1241 1.229,1242 2.002,1243 1.75,1244 1.701,1245 1.944,1246 1.962,1247 1.175,1248 1.958,1249 1.649,1250 1.595,1251 1.845,1252 1.869,1253 1.001,1254 1.862,1255 1.405,1256 1.325,1257 1.733,1258 1.606,1259 0.97,1260 1.655,1261 1.315,1262 1.269,1263 1.571,1264 1.548,1265 0.825,1266 1.547,1267 1.184,1268 1.118,1269 1.513,1270 1.501,1271 0.624,1272 1.506,1273 1.163,1274 1.095,1275 1.498,1276 1.417,1277 0.584,1278 1.429,1279 4.344,1281 5.68,1283 7.225,1285 8.863,1287 10.551,1289 5.748,1294 9.744,1295 4.267,1297 16.834,1299 0.204,1300 4.441,1305 39.815,1306 102.168,1307 229.383,1308 313.58,1309 333.189,1310 333.189,1311 333.189,1312 54.078,1313 8.358,1314 93.07,1315 93.07,1316 30,1317 12.896,1318 4.17,1319 3.248,1320 49.65,1321 138,1322 156,1323 0.173,1324 240.149,1325 415.6,1326 577.724,1327 48094,1329 23.656,1330 0.696,1331 0.585,1332 23.656,1333 19.899,1334 16.55,1335 0.436,1336 0.309,1337 11.518,1338 15.663,1339 11.206,1340 9.212,1341 16.55,1342 11.755,1343 14.878,1344 0.276,1345 0.164,1346 14.878,1347 8.861,1348 12.845,1349 0.174,1350 0.085,1351 12.845,1352 6.287,1353 11.308,1354 0.112,1355 0.047,1356 11.308,1357 4.704,1358 9.422,1359 0.069,1360 0.023,1361 9.422,1362 3.113,1363 0.267,1364 105.316,1365 0.197,1366 30.919,1367 0.491,1368 184,1369 541.582,1370 206.672,1371 504.758,1372 700.64,1373 480,1374 220,1375 517.236,1376 243.842,1377 518.912,1378 771.77,1379 488,1380 5.051}
{0 CHEMBL1081312,1 1.489,2 7.958,3 2.304,4 5.309,5 92.691,6 7.79,7 0.714,8 3.866,9 4.003,10 3.491,11 3.399,12 4.96,13 3.4,14 4.407,15 4.584,16 3.888,17 3.84,18 5.44,19 3.815,20 4.643,21 4.878,22 3.879,23 3.889,24 5.601,25 3.835,26 4.61,27 4.859,28 3.871,29 3.839,30 5.648,31 3.801,32 4.502,33 4.713,34 3.767,35 3.819,36 5.509,37 3.769,38 4.489,39 4.694,40 3.756,41 3.813,42 5.553,43 3.754,44 4.569,45 4.813,46 3.609,47 3.763,48 5.529,49 3.667,50 4.503,51 4.8,52 3.246,53 3.543,54 5.388,55 3.395,56 0.062,57 0.723,58 7.957,59 3.144,60 8.736,61 4.265,62 0.179,63 1.171,64 15.127,65 5.744,66 16.883,67 7.983,68 0.198,69 1.331,70 21.872,71 7.058,72 23.12,73 10.536,74 0.403,75 1.29,76 21.926,77 6.297,78 35.715,79 9.404,80 0.221,81 1.2,82 17.915,83 5.727,84 23.036,85 8.266,86 0.248,87 1.192,88 17.375,89 5.998,90 29.147,91 8.497,92 0.221,93 1.181,94 20.587,95 6.635,96 28.31,97 9.852,98 0.339,99 0.99,100 21.629,101 6.355,102 36.932,103 9.737,104 2,105 41,106 0.257,107 0.658,108 0.792,109 0.834,110 0.834,111 0.834,112 3.231,113 0.882,114 -4.58,115 -4.5,116 -4.23,119 41.5,121 4,127 1,142 2,143 3,145 1,146 1,147 1,148 1,151 1,161 2,163 1,164 1,165 1,166 1,172 6,174 2,175 9,177 1,178 2,180 3,183 6,185 1,186 1,187 8,192 1,195 2,198 3,199 9,201 3,202 3,204 2,207 3,209 1,211 1,212 6,217 1,220 5,222 1,223 2,224 5,226 1,227 2,229 4,232 4,234 3,237 6,240 1,242 3,245 4,247 3,250 2,253 2,254 1,257 1,258 4,268 2,271 2,275 760,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.548,282 9.487,283 9.779,284 17.155,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.422,291 7.5,292 4.637,293 14.457,294 3.869,295 1.552,296 0.78,297 0.537,298 0.537,299 0.537,300 3.945,303 1,304 1,305 1,306 437,307 2.121,310 139.283,311 102.98,314 160.199,318 1.135,319 17.774,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 191,332 4.766,333 3.389,334 7.051,335 4.312,336 3.349,337 4.738,339 12.147,340 3.227,341 4.415,342 2.95,343 6.293,344 3.903,345 2.936,346 4.353,348 9.503,349 2.839,350 3.904,351 2.766,352 6.145,353 3.644,354 2.677,355 3.312,357 8.961,358 2.587,359 3.761,360 2.405,361 5.751,362 3.342,363 2.38,364 3.198,366 7.634,367 2.29,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.366,375 5.69,376 1.899,377 3.051,378 1.552,379 4.519,380 2.488,381 1.552,382 2.322,384 4.384,385 1.451,386 3.033,387 1.533,388 4.333,389 2.479,390 1.533,391 2.3,393 4.052,394 1.445,395 2.654,396 1.41,397 4.234,398 2.308,399 1.345,400 1.72,402 3.529,403 1.292,404 2.601,405 1.154,406 3.672,407 2.091,408 1.151,409 1.636,411 2.661,412 1.08,413 2.411,414 0.973,415 3.431,416 1.918,417 0.966,418 1.376,420 2.308,421 0.917,422 1.911,423 0.702,424 3.248,425 1.659,426 0.683,427 0.792,428 1.74,429 0.666,430 1.837,431 0.618,432 3.036,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.4,440 3,441 1.339,442 0.395,443 0.584,445 0.983,446 0.372,447 1.061,448 -0.153,449 2.652,450 0.629,451 -0.286,452 -0.364,454 -0.672,455 -0.261,456 0.846,457 -0.589,458 2.461,459 0.372,460 -0.59,461 -0.817,463 -1.644,464 -0.565,465 11.3,466 0.471,467 0.534,468 0.022,469 33.5,470 1.396,471 16.5,472 0.688,473 17,474 0.708,475 18.11,476 0.755,477 24.7,478 0.602,479 21.894,480 0.912,481 6.092,482 0.254,483 5.718,484 0.238,485 0.035,487 0.389,493 0.935,494 1.279,495 0.738,496 0.979,497 0.944,498 0.853,499 0.768,500 1.116,501 0.802,502 1.013,503 0.598,504 0.931,505 0.966,506 1.255,507 0.864,508 1.058,509 0.697,510 0.964,511 1.1,512 0.771,513 0.857,514 0.688,515 0.983,516 0.726,517 1.284,518 1.116,519 1.114,520 1.034,521 1.151,522 1.044,523 1.031,524 1.085,525 1.133,526 1.152,527 1.299,528 1.158,529 1.082,530 1.19,531 1.148,532 1.206,533 1.356,534 1.191,535 1.052,536 0.785,537 1.138,538 0.96,539 1.288,540 1.045,541 3.5,543 2.889,544 1.764,545 1.522,546 0.716,547 0.469,548 0.348,549 0.148,550 0.047,551 6351,552 14821,553 2.262,554 41.5,555 4,556 3,557 1,558 2,559 3,561 4,564 1.676,565 2.182,566 3.02,567 1.039,568 1,569 1,571 1,573 61.034,574 1.489,575 3.805,576 4.577,577 4.821,578 4.821,579 4.821,580 2.44,581 4.22,582 4.558,583 3.145,584 868.043,585 7.902,586 9735.16,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.125,596 0.07,597 0.045,598 0.039,599 0.02,600 0.014,601 0.012,602 0.008,603 0.005,604 0.339,605 0.33,606 0.88,607 0.382,608 110.695,609 -0.028,610 -0.089,611 0.063,612 0.013,613 -0.035,614 0.046,615 0.148,616 -0.005,617 0.061,618 -0.022,619 0.177,621 0.002,622 -0.269,623 0.1,624 -0.082,625 0.158,626 0.006,627 0.078,628 0.247,629 0.138,630 0.235,631 0.112,632 0.203,633 -0.244,634 -0.048,635 -0.197,636 -0.082,637 -0.182,638 -0.124,639 -0.029,640 -0.013,641 -0.229,642 -0.191,643 -0.131,644 -0.233,645 -0.118,646 -0.221,647 -0.178,648 -0.233,649 -0.218,650 -0.218,651 -0.026,652 0.091,653 -0.077,654 0.002,655 -0.108,656 -0.037,657 1.201,658 2.168,659 0.958,660 17.167,661 1.003,662 1.136,663 3.347,664 11.2,665 0.679,666 3.367,667 3.738,668 4.111,669 4.466,670 4.682,671 4.883,672 5.081,673 5.268,674 5.328,675 5.384,676 5.036,677 0.653,678 319.41,679 3.367,680 4.934,681 5.832,682 6.746,683 7.662,684 8.584,685 9.507,686 10.433,687 11.359,688 12.288,689 17.1,693 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,722 1,731 41,733 20,735 28,737 45,738 17,739 12,746 5,747 7,755 5,758 5,761 12,762 5,777 1,778 1,781 17,782 5,783 3,784 7,790 7,794 0.6,803 1,805 1,806 1,807 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,877 11,878 7.333,879 5.111,880 2.626,881 3.983,882 1.515,883 1.081,884 3.068,885 11.719,886 3.664,887 4.363,888 5.091,889 5.796,890 6.355,891 6.837,892 7.362,893 7.89,894 8.22,895 8.651,896 1,897 39,898 8.85,900 3.92,901 7.563,902 17.239,904 15.011,905 2.063,906 49.5,909 1,910 164.795,911 72.651,912 118.479,917 72.651,918 164.795,919 118.479,921 10.138,922 60.897,923 93.992,924 47.316,925 14.099,926 129.482,928 164.795,929 191.13,933 117.711,934 47.084,937 52.554,938 71.557,939 67.02,941 164.795,942 118.479,943 72.651,946 164.795,947 26.985,948 47.442,949 16.786,950 99.917,951 164.795,952 118.479,953 72.651,955 0.589,956 0.362,957 0.212,958 0.108,959 24,960 9,961 0.044,962 2,963 2,964 1.174,965 3.633,966 219.375,967 0.174,968 23,969 106.039,974 13.937,975 5.283,976 2.139,977 3.55,978 99.917,979 9.302,980 17.992,981 3.111,984 2.212,985 2.039,986 49.683,987 355.925,988 38,999 41.131,1000 46.564,1001 0.278,1002 0.71,1003 0.854,1004 0.9,1005 0.9,1006 0.9,1007 4.913,1008 1.345,1009 5.826,1010 4.052,1011 4.419,1012 5.05,1014 6.706,1015 4.338,1016 6.145,1017 1.151,1018 7.419,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.897,1025 7.481,1026 0.966,1027 9.116,1028 2.661,1029 6.066,1030 7.401,1032 10.895,1033 5.914,1034 8.863,1035 0.683,1036 10.877,1037 2.308,1038 6.553,1039 8.224,1041 12.785,1042 6.372,1043 10.282,1044 0.618,1045 12.678,1046 1.74,1047 8.038,1048 10.1,1050 15.47,1051 7.816,1052 11.728,1053 0.395,1054 14.509,1055 1.372,1056 8.916,1057 11.326,1059 17.706,1060 8.663,1061 13.194,1062 -0.286,1063 16.359,1064 0.983,1065 10.195,1066 12.989,1068 20.243,1069 9.903,1070 3.349,1071 -0.59,1072 18.225,1073 -0.672,1074 11.245,1075 14.392,1077 22.624,1078 10.919,1079 2.936,1080 12.147,1081 20.102,1082 -1.644,1083 12.454,1084 15.973,1086 25.12,1087 12.09,1088 2.677,1089 9.503,1090 21.99,1091 4.738,1092 13.579,1093 17.452,1095 27.562,1096 13.179,1097 2.38,1098 8.961,1099 23.885,1100 4.353,1101 14.768,1102 19.004,1104 30.05,1105 14.33,1106 1.996,1107 7.634,1108 25.787,1109 3.312,1110 15.928,1111 20.516,1113 32.52,1114 15.454,1115 1.552,1116 5.69,1117 27.695,1118 3.198,1119 17.114,1120 22.058,1122 35.008,1123 16.602,1124 1.533,1125 4.384,1126 29.608,1127 2.366,1128 18.292,1129 23.586,1131 37.491,1132 17.743,1133 5770,1134 8972,1135 19.592,1136 27.847,1137 43.113,1138 43.039,1139 43.439,1140 43.217,1141 43.162,1142 58.631,1144 129.925,1145 41.363,1146 5.668,1147 5.389,1148 6.646,1149 5.387,1150 5.349,1151 7.738,1153 19.687,1154 5.201,1155 5.845,1156 1.54,1157 1.537,1158 1.551,1159 1.543,1160 1.541,1161 2.094,1163 4.64,1164 1.477,1165 4.173,1166 4.219,1167 4.149,1168 4.042,1169 5.26,1170 4.062,1171 4.024,1172 4.075,1173 3.987,1174 3.873,1175 5.058,1176 3.895,1177 3.793,1178 3.851,1179 3.667,1180 3.677,1181 4.848,1182 3.669,1183 3.413,1184 3.477,1185 3.35,1186 3.256,1187 4.517,1188 3.27,1189 3.219,1190 3.31,1191 3.135,1192 2.938,1193 4.312,1194 2.979,1195 2.976,1196 3.082,1197 2.869,1198 2.72,1199 4.158,1200 2.744,1201 2.869,1202 2.979,1203 2.746,1204 2.671,1205 3.866,1206 2.642,1207 2.852,1208 2.937,1209 2.583,1210 2.619,1211 3.664,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.766,1219 0.169,1220 3.389,1222 7.051,1223 0.434,1224 4.312,1225 0.115,1226 3.349,1227 4.738,1229 12.147,1230 3.227,1231 1.924,1232 1.898,1233 1.976,1234 2.041,1235 1.243,1236 2.021,1237 1.789,1238 1.743,1239 1.888,1240 1.985,1241 1.211,1242 1.955,1243 1.59,1244 1.532,1245 1.86,1246 1.791,1247 1.107,1248 1.793,1249 1.577,1250 1.507,1251 1.746,1252 1.751,1253 0.852,1254 1.78,1255 1.464,1256 1.396,1257 1.639,1258 1.691,1259 0.611,1260 1.686,1261 1.179,1262 1.126,1263 1.286,1264 1.392,1265 0.364,1266 1.372,1267 0.913,1268 0.819,1269 1.179,1270 1.245,1271 0.125,1272 1.237,1273 0.769,1274 0.695,1275 0.998,1276 1.083,1277 0.094,1278 1.07,1279 4.043,1281 5.398,1282 3.434,1283 6.948,1284 5.733,1285 8.592,1286 7.803,1287 10.289,1293 6.168,1295 4.738,1299 0.388,1305 26.784,1306 61.034,1307 156.011,1308 187.66,1309 197.66,1310 197.66,1311 197.66,1312 27.997,1313 7.736,1314 98.3,1315 98.3,1316 27,1317 12.792,1318 4.392,1319 3.459,1320 30.081,1321 71,1322 66,1323 0.208,1324 161.014,1325 253.14,1326 384.635,1327 22600,1329 16.096,1330 0.671,1331 0.546,1332 16.096,1333 13.106,1334 11.81,1335 0.422,1336 0.294,1337 8.12,1338 11.361,1339 8.011,1340 6.597,1341 11.81,1342 8.233,1343 10.782,1344 0.263,1345 0.154,1346 10.782,1347 6.328,1348 9.878,1349 0.165,1350 0.081,1351 9.878,1352 4.862,1353 8.93,1354 0.104,1355 0.043,1356 8.93,1357 3.67,1358 6.856,1359 0.064,1360 0.02,1361 6.856,1362 2.11,1363 0.312,1364 73.909,1365 0.226,1366 22.753,1367 0.622,1368 138,1369 353.871,1370 150.933,1371 351.69,1372 506.05,1373 332,1374 170,1375 403.73,1376 184.793,1377 407.791,1378 606.58,1379 386,1380 7.284}
{0 CHEMBL1082616,1 1.699,2 14.341,3 4.325,4 18.703,5 151.388,6 8.373,7 0.587,8 4.326,9 4.429,10 3.988,11 3.857,12 5.557,13 3.876,14 4.819,15 4.964,16 4.388,17 4.239,18 6.041,19 4.257,20 4.991,21 5.135,22 4.463,23 4.356,24 6.272,25 4.365,26 5.111,27 5.28,28 4.454,29 4.408,30 6.338,31 4.386,32 5.136,33 5.32,34 4.476,35 4.397,36 6.38,37 4.382,38 5.181,39 5.369,40 4.489,41 4.44,42 6.376,43 4.424,44 5.158,45 5.31,46 4.588,47 4.448,48 6.523,49 4.442,50 5.228,51 5.407,52 4.487,53 4.424,54 6.526,55 4.404,56 0.182,57 1.06,58 10.731,59 5.622,60 14.055,61 6.234,62 0.472,63 1.667,64 21.293,65 9.106,66 36.274,67 10.7,68 0.736,69 1.999,70 25.426,71 10.3,72 64.555,73 11.35,74 0.734,75 2.15,76 30.362,77 12.594,78 62.162,79 14.843,80 0.857,81 2.131,82 33.583,83 13.004,84 85.584,85 15.783,86 0.837,87 2.259,88 36.364,89 14.121,90 96.493,91 16.613,92 1.156,93 2.278,94 31.747,95 13.296,96 100.212,97 15.731,98 1.269,99 2.345,100 38.505,101 14.701,102 131.681,103 16.651,104 51,105 68,106 0.263,107 0.679,108 0.813,109 0.883,110 0.892,111 0.892,112 3.742,113 0.826,114 -2.82,115 -2.83,116 -2.74,119 45.5,120 2,124 2,135 1,136 1,142 7,143 3,144 6,145 2,146 1,152 3,157 1,159 1,166 1,172 6,175 13,178 2,179 1,180 4,183 8,187 10,190 2,192 5,195 7,198 2,199 9,204 5,207 8,211 3,212 10,215 2,216 1,217 5,220 10,224 4,227 1,229 3,232 9,236 4,237 9,240 2,241 1,242 1,245 11,249 2,250 9,253 3,255 5,258 7,263 8,266 1,268 4,271 6,275 3534,276 27.557,277 27.557,278 27.557,279 27.557,280 27.557,281 23.687,282 32.236,283 15.769,284 28.128,285 22.634,286 22.634,287 22.634,288 22.634,289 22.634,290 16.679,291 45.399,292 7.463,293 23.481,294 4.346,295 1.665,296 0.798,297 0.349,298 0.288,299 0.288,300 4.45,305 1,306 1295,307 3.873,310 273.187,311 368.58,314 335.495,318 2.349,319 53.299,322 0.75,323 0.5,324 0.83,325 0.5,327 0.83,328 1,329 0.63,330 90.5,331 588,332 4.748,333 3.564,334 7.063,335 4.359,336 3.381,337 4.604,338 1.656,339 12.166,340 3.308,341 4.62,342 3.553,343 6.701,344 4.165,345 3.179,346 4.427,347 0.86,348 10.816,349 3.132,350 4.435,351 3.255,352 6.631,353 4.021,354 3.052,355 4.149,356 0.6,357 10.514,358 2.956,359 3.999,360 3.234,361 5.925,362 3.637,363 2.674,364 3.488,365 0.247,366 8.153,367 2.566,368 3.93,369 2.818,370 5.626,371 3.499,372 2.537,373 3.421,375 7.676,376 2.438,377 3.795,378 2.641,379 5.499,380 3.385,381 2.421,382 3.226,384 7.163,385 2.327,386 3.556,387 2.563,388 5.394,389 3.136,390 2.193,391 2.872,393 6.633,394 2.082,395 3.462,396 2.474,397 5.265,398 3.062,399 2.094,400 2.753,402 6.472,403 1.994,404 3.356,405 2.23,406 5.247,407 2.956,408 1.993,409 2.605,411 6.231,412 1.911,413 3.274,414 2.064,415 4.951,416 2.818,417 1.829,418 2.551,420 5.15,421 1.8,422 3.11,423 2.007,424 4.824,425 2.694,426 1.731,427 2.338,428 5.1,429 1.663,430 3.1,431 1.833,432 4.619,433 2.662,434 1.679,435 2.279,436 4.855,437 1.646,438 2.848,439 1.552,440 4.508,441 2.35,442 1.387,443 1.982,445 3.9,446 1.331,447 2.715,448 1.519,449 4.181,450 2.254,451 1.276,452 1.754,454 3.235,455 1.244,456 2.602,457 1.463,458 3.572,459 2.054,460 1.127,461 1.521,463 2.991,464 1.036,465 19.019,466 0.464,467 1.202,468 0.029,469 58.5,470 1.427,471 31,472 0.756,473 27.5,474 0.671,475 36.29,476 0.885,477 42.781,478 0.648,479 52.951,480 1.291,481 11.874,482 0.29,483 7.853,484 0.192,485 0.155,487 0.442,491 1,493 0.781,494 1.111,495 0.683,496 1,497 0.678,498 0.853,499 0.832,500 1.012,501 0.647,502 0.844,503 0.588,504 0.726,505 1.12,506 1.014,507 0.991,508 0.941,509 0.997,510 0.921,511 0.933,512 1.116,513 1.009,514 1.146,515 0.874,516 1.104,517 0.934,518 0.973,519 0.886,520 0.975,521 1.068,522 0.931,523 1.171,524 1.034,525 0.928,526 0.949,527 1.24,528 0.892,529 0.776,530 1.09,531 0.881,532 1.131,533 0.874,534 1.061,535 1.298,536 1.109,537 1.107,538 1.052,539 1.257,540 1.044,541 9,542 0.306,543 4.667,544 4.569,545 2.584,546 1.782,547 1.474,548 1.037,549 0.861,550 0.45,551 28125,552 83555,553 2.102,554 37.9,556 14,558 2,559 3,560 6,564 1.808,565 1.937,566 3.685,567 0.764,573 112.117,574 1.699,575 4.379,576 5.246,577 5.696,578 5.756,579 5.756,580 3.113,581 5.114,582 5.324,583 3.957,584 3244.53,585 9.424,586 56063.9,591 398.93,592 1.489,593 5.275,594 0.196,595 0.007,596 0.069,597 0.064,598 0.038,599 0.025,600 0.02,601 0.014,602 0.013,603 0.008,604 0.454,605 0.33,606 0.75,607 0.697,608 231.56,609 -0.062,610 -0.074,611 0.037,612 -0.022,613 -0.099,614 0.021,616 -0.009,617 0.189,618 0.125,619 0.053,620 0.188,621 -0.113,622 0.062,623 -0.133,624 0.01,625 -0.069,626 -0.042,627 -0.027,628 -0.114,629 -0.106,630 -0.169,631 0.001,632 -0.158,633 0.032,634 -0.003,635 0.067,636 0.005,637 -0.013,638 0.036,639 -0.116,640 -0.001,641 0.051,642 0.06,643 -0.103,644 0.095,645 0.306,646 -0.043,647 0.037,648 -0.138,649 0.182,650 -0.126,651 -0.007,652 -0.007,653 -0.094,654 -0.042,655 -0.002,656 -0.08,657 2.2,658 7.128,659 0.707,660 52.414,661 1.019,662 1.126,663 1.589,664 2.524,665 0.688,666 3.85,667 4.234,668 4.564,669 4.898,670 5.142,671 5.308,672 5.553,673 5.765,674 5.903,675 6.052,676 8.407,677 0.676,678 552.61,679 3.85,680 5.434,681 6.319,682 7.233,683 8.138,684 9.06,685 9.975,686 10.902,687 11.824,688 12.755,689 9.1,696 2,697 1,698 1,699 2,703 2,704 9,705 2,707 1,709 11,710 1,711 27,714 1,728 1,729 1,730 1,731 66,733 30,734 2,735 46,737 71,738 30,739 22,740 7,741 5,742 3,746 6,747 8,751 1,752 2,761 26,762 4,766 3,771 1,773 1,774 1,775 3,779 1,780 1,781 25,782 10,783 3,784 11,790 6,794 0.667,795 4,803 1,805 1,811 3,812 3,815 2,831 1,832 1,840 4,844 4,846 1,848 41,853 1,855 2,856 1,869 1,870 6.1,872 1,873 1,875 2,877 21.167,878 13.476,879 8.806,880 3.701,881 5.942,882 1.647,883 1.012,884 6.854,885 15.124,886 4.151,887 4.84,888 5.493,889 6.154,890 6.699,891 7.108,892 7.65,893 8.188,894 8.618,895 9.107,896 1,897 71,898 15.203,900 6.71,901 7.907,902 28.206,904 23.245,905 2.407,906 98.667,910 258.964,911 188.43,912 88.032,914 88.336,915 14.96,917 188.43,918 347.3,919 102.992,920 36.93,921 36.022,922 75.81,923 127.576,924 94.685,925 32.278,926 235.422,928 258.964,929 276.462,930 103.296,933 273.924,934 88.336,937 93.086,938 140.452,939 42.925,941 273.924,942 176.368,943 188.43,946 258.964,947 57.595,948 132.611,949 36.022,950 153.53,951 258.964,952 191.328,953 188.43,955 0.595,956 0.358,957 0.199,958 0.109,959 35,960 17,961 0.07,962 5,963 2,964 1.138,965 4.884,966 442.773,967 0.138,968 29,969 219.66,974 26.752,975 10.505,976 4.879,977 0.785,978 189.551,979 14.448,980 8.474,982 6.004,984 3.773,985 1.738,986 78.705,987 638.722,988 62.5,993 12.456,995 1.632,996 4.656,997 0.578,999 67.269,1000 74.319,1001 0.281,1002 0.725,1003 0.868,1004 0.942,1005 0.952,1006 0.952,1007 5.419,1008 2.094,1009 6.337,1010 6.633,1011 4.92,1012 5.529,1013 2.079,1014 7.213,1015 4.853,1016 6.675,1017 1.993,1018 7.938,1019 6.472,1020 4.635,1021 5.479,1022 1.195,1023 8.207,1024 4.542,1025 8.018,1026 1.829,1027 9.635,1028 6.231,1029 6.581,1030 7.823,1031 2.529,1032 11.362,1033 6.463,1034 9.398,1035 1.731,1036 11.389,1037 5.15,1038 7.099,1039 8.582,1040 2.324,1041 13.2,1042 6.958,1043 10.808,1044 1.679,1045 13.18,1046 5.1,1047 8.546,1048 10.421,1049 3.278,1050 15.889,1051 8.386,1052 12.241,1053 1.387,1054 14.997,1055 4.855,1056 9.431,1057 11.567,1058 3.407,1059 18.09,1060 9.251,1061 13.694,1062 1.276,1063 16.834,1064 3.9,1065 10.697,1066 13.202,1067 4.165,1068 20.623,1069 10.5,1070 3.381,1071 1.127,1072 18.688,1073 3.235,1074 11.749,1075 14.537,1076 4.464,1077 22.978,1078 11.532,1079 3.179,1080 12.166,1081 20.556,1082 2.991,1083 12.952,1084 16.088,1085 5.114,1086 25.461,1087 12.718,1088 3.052,1089 10.816,1090 22.434,1091 4.604,1092 14.077,1093 17.511,1094 5.504,1095 27.88,1096 13.825,1097 2.674,1098 10.514,1099 24.322,1100 4.427,1101 15.262,1102 19.03,1103 6.092,1104 30.35,1105 14.992,1106 2.537,1107 8.153,1108 26.218,1109 4.149,1110 16.421,1111 20.495,1112 6.531,1113 32.798,1114 16.132,1115 2.421,1116 7.676,1117 28.12,1118 3.488,1119 17.604,1120 22.003,1121 7.084,1122 35.268,1123 17.297,1124 2.193,1125 7.163,1126 30.028,1127 3.421,1128 18.78,1129 23.489,1130 7.551,1131 37.731,1132 18.453,1133 26173,1134 45330,1135 30.46,1136 45.404,1137 71.194,1138 72.463,1139 73.802,1140 70.209,1141 70.28,1142 94.941,1143 6.726,1144 213.699,1145 67.72,1146 5.612,1147 5.564,1148 6.865,1149 5.403,1150 5.381,1151 7.604,1152 2.912,1153 19.905,1154 5.308,1155 23.193,1156 1.548,1157 1.575,1158 1.604,1159 1.526,1160 1.528,1161 2.064,1162 0.146,1163 4.646,1164 1.472,1165 4.152,1166 4.166,1167 4.13,1168 4.054,1169 8.201,1170 4.07,1171 4.035,1172 4.059,1173 4.012,1174 3.935,1175 7.431,1176 3.95,1177 3.896,1178 3.936,1179 3.86,1180 3.756,1181 6.471,1182 3.774,1183 3.871,1184 3.916,1185 3.816,1186 3.742,1187 5.078,1188 3.754,1189 3.571,1190 3.601,1191 3.523,1192 3.422,1193 4.962,1194 3.438,1195 3.424,1196 3.464,1197 3.369,1198 3.201,1199 4.905,1200 3.237,1201 3.272,1202 3.328,1203 3.195,1204 3.048,1205 4.819,1206 3.074,1207 3.229,1208 3.31,1209 3.036,1210 3.026,1211 4.587,1212 3.015,1213 0.103,1214 0.077,1215 0.154,1216 0.095,1217 0.073,1218 4.748,1219 0.1,1220 3.564,1221 0.036,1222 7.063,1223 0.264,1224 4.359,1225 0.072,1226 3.381,1227 4.604,1228 1.656,1229 12.166,1230 3.308,1231 1.921,1232 1.904,1233 1.997,1234 2.027,1235 1.138,1236 2.016,1237 1.872,1238 1.861,1239 1.934,1240 1.963,1241 1.097,1242 1.954,1243 1.818,1244 1.778,1245 1.931,1246 1.959,1247 1.015,1248 1.951,1249 1.737,1250 1.711,1251 1.858,1252 1.876,1253 0.944,1254 1.868,1255 1.548,1256 1.507,1257 1.753,1258 1.798,1259 0.809,1260 1.783,1261 1.489,1262 1.428,1263 1.64,1264 1.672,1265 0.727,1266 1.658,1267 1.269,1268 1.227,1269 1.551,1270 1.584,1271 0.584,1272 1.529,1273 1.193,1274 1.126,1275 1.528,1276 1.505,1277 0.567,1278 1.518,1279 4.533,1281 5.9,1282 3.434,1283 7.449,1284 5.938,1285 9.084,1286 8.122,1287 10.767,1289 7.062,1291 15.128,1294 11.187,1296 5.43,1297 5.315,1305 44.639,1306 112.117,1307 289.04,1308 346.259,1309 375.91,1310 379.91,1311 379.91,1312 85.696,1313 9.182,1314 127.33,1315 127.33,1316 33,1317 13.258,1318 4.954,1319 4.129,1320 59.364,1321 204,1322 252,1323 0.14,1324 268.218,1325 466.53,1326 646.213,1327 149054,1328 1.5,1329 28.836,1330 0.703,1331 0.552,1332 27.966,1333 22.612,1334 19.728,1335 0.429,1336 0.275,1337 12.427,1338 18.773,1339 12.046,1340 10.007,1341 19.317,1342 12.659,1343 18.515,1344 0.272,1345 0.14,1346 17.976,1347 9.54,1348 16.165,1349 0.17,1350 0.073,1351 15.761,1352 6.928,1353 14.058,1354 0.106,1355 0.037,1356 13.629,1357 4.904,1358 11.336,1359 0.067,1360 0.019,1361 11.001,1362 3.22,1363 0.22,1364 125.111,1365 0.181,1366 36.419,1367 0.383,1368 228,1369 764.714,1370 255.085,1371 709.846,1372 976.31,1373 664,1374 277,1375 737.069,1376 304.623,1377 738.231,1378 1086.28,1379 693,1380 9}
{0 CHEMBL1082617,1 1.6,2 18.313,3 4.372,4 19.11,5 180.777,6 7.887,7 0.5,8 4.531,9 4.635,10 4.147,11 4.051,12 5.685,13 4.058,14 5.06,15 5.214,16 4.54,17 4.446,18 6.193,19 4.447,20 5.254,21 5.416,22 4.613,23 4.589,24 6.416,25 4.571,26 5.362,27 5.541,28 4.583,29 4.636,30 6.505,31 4.588,32 5.374,33 5.569,34 4.604,35 4.619,36 6.541,37 4.575,38 5.383,39 5.584,40 4.592,41 4.651,42 6.461,43 4.594,44 5.373,45 5.559,46 4.623,47 4.626,48 6.542,49 4.579,50 5.366,51 5.56,52 4.559,53 4.565,54 6.553,55 4.516,56 0.147,57 1.212,58 15.282,59 7.269,60 15.1,61 8.69,62 0.577,63 1.946,64 30.47,65 11.834,66 41.53,67 14.771,68 0.765,69 2.313,70 37.759,71 14.051,72 64.581,73 17.385,74 0.698,75 2.505,76 43.282,77 16.703,78 81.511,79 21.035,80 0.955,81 2.467,82 46.053,83 16.937,84 108.403,85 21.96,86 0.716,87 2.506,88 46.169,89 17.966,90 77.852,91 23.535,92 0.994,93 2.465,94 44.929,95 17.258,96 96.269,97 22.501,98 1.172,99 2.38,100 46.49,101 16.825,102 115.669,103 21.681,104 51,105 79,106 0.238,107 0.622,108 0.781,109 0.848,110 0.857,111 0.861,112 3.895,113 0.861,114 -2.73,115 -2.74,116 -2.66,119 43.9,120 2,124 2,125 4,135 1,136 1,142 10,143 4,144 5,146 1,152 3,157 1,158 1,159 1,166 1,172 10,174 1,175 15,178 2,179 1,180 5,183 13,186 1,187 14,190 1,192 6,195 11,198 2,199 14,204 7,207 10,211 3,212 12,215 1,216 1,217 6,220 10,224 10,227 3,229 4,232 13,236 4,237 9,240 2,241 1,242 2,245 16,249 4,250 7,253 5,255 5,258 13,263 9,266 2,268 5,271 9,275 5504,276 32.488,277 32.488,278 32.488,279 32.488,280 32.488,281 28.63,282 41.192,283 18.637,284 33.193,285 26.561,286 26.561,287 26.561,288 26.561,289 26.561,290 20.473,291 55.931,292 8.804,293 27.559,294 4.757,295 2.176,296 1.11,297 0.656,298 0.598,299 0.573,300 4.609,306 1956,307 4.301,310 348.359,311 640.971,314 428.798,318 2.995,319 54.944,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 105,331 879,332 4.728,333 3.694,334 7.037,335 4.34,336 3.359,337 4.603,338 1.656,339 12.062,340 3.295,341 4.617,342 3.563,343 6.7,344 4.164,345 3.178,346 4.396,347 1.2,348 10.814,349 3.131,350 4.386,351 3.507,352 6.541,353 3.973,354 2.998,355 4.072,356 0.86,357 10.22,358 2.924,359 4.265,360 3.255,361 6.391,362 3.958,363 2.976,364 3.801,365 0.86,366 9.668,367 2.922,368 3.952,369 3.12,370 5.709,371 3.622,372 2.659,373 3.379,374 0.6,375 7.754,376 2.552,377 3.848,378 2.763,379 5.622,380 3.443,381 2.475,382 3.236,383 0.293,384 7.481,385 2.396,386 3.763,387 2.629,388 5.513,389 3.363,390 2.41,391 3.158,392 0.247,393 7.178,394 2.294,395 3.538,396 2.539,397 5.316,398 3.167,399 2.199,400 2.832,402 6.603,403 2.12,404 3.387,405 2.479,406 5.255,407 3.026,408 2.071,409 2.647,411 6.383,412 1.974,413 3.351,414 2.28,415 5.161,416 3.006,417 2.043,418 2.561,420 6.177,421 1.952,422 3.265,423 2.125,424 5.138,425 2.843,426 1.871,427 2.537,428 5.725,429 1.811,430 3.188,431 2.05,432 4.865,433 2.771,434 1.778,435 2.333,436 5.094,437 1.755,438 3.106,439 1.978,440 4.776,441 2.686,442 1.719,443 2.28,445 4.957,446 1.658,447 2.999,448 1.96,449 4.592,450 2.578,451 1.59,452 2.173,454 4.712,455 1.569,456 2.687,457 1.841,458 4.425,459 2.376,460 1.468,461 1.707,463 3.709,464 1.321,465 22.4,466 0.467,467 1.322,468 0.028,469 64.75,470 1.349,471 32.5,472 0.677,473 32.25,474 0.672,475 45.897,476 0.956,477 50.8,478 0.62,479 61.491,480 1.281,481 13.099,482 0.273,483 10.094,484 0.21,485 0.134,487 0.415,493 0.828,494 1.268,495 0.73,496 1.069,497 0.696,498 0.91,499 0.97,500 1.035,501 0.758,502 0.845,503 0.613,504 0.77,505 1.135,506 1.034,507 1.004,508 0.937,509 0.947,510 0.929,511 1.079,512 1.133,513 1.085,514 1.133,515 1.243,516 1.113,517 0.957,518 0.994,519 0.93,520 0.966,521 1.293,522 0.946,523 0.839,524 1.006,525 0.887,526 1.017,527 0.852,528 0.974,529 0.771,530 1.083,531 0.915,532 1.093,533 0.706,534 1.044,535 0.975,536 0.974,537 0.98,538 1.007,539 0.793,540 1.003,541 10,542 0.34,543 5.778,544 5.007,545 2.65,546 2.032,547 1.526,548 1.1,549 0.891,550 0.532,551 49233,552 132138,553 2.122,554 41.5,556 25,559 3,560 6,564 1.84,565 1.973,566 4.039,567 0.685,573 131.209,574 1.6,575 4.181,576 5.248,577 5.702,578 5.76,579 5.784,580 3.452,581 5.418,582 5.554,583 4.326,584 4880.05,585 9.847,586 100125,591 521.319,592 1.45,593 5.511,594 0.185,595 0.006,596 0.073,597 0.06,598 0.034,599 0.025,600 0.019,601 0.014,602 0.012,603 0.008,604 0.438,605 0.33,606 0.63,607 0.638,608 289.322,609 -0.046,610 -0.112,611 0.055,612 -0.046,613 -0.083,614 0.011,615 -0.011,616 0.063,617 0.135,618 0.141,619 0.053,620 0.16,621 -0.125,622 0.057,623 -0.093,624 0.037,625 -0.042,626 -0.003,627 -0.131,628 -0.098,629 -0.153,630 -0.141,631 -0.102,632 -0.149,633 0.03,634 0.012,635 0.037,636 0.026,637 -0.052,638 0.032,639 0.007,640 -0.014,641 0.064,642 -0.004,644 0.033,645 0.178,646 -0.079,647 0.036,648 -0.09,649 0.134,650 -0.061,651 0.124,652 0.01,653 0.01,654 -0.019,655 0.148,656 -0.029,657 2.147,658 5.864,659 0.729,660 73.611,661 1.012,662 1.123,663 1.498,664 2.245,665 0.676,666 4.007,667 4.382,668 4.71,669 5.017,670 5.257,671 5.398,672 5.635,673 5.829,674 5.951,675 6.094,676 10.639,677 0.656,678 646.76,679 4.007,680 5.587,681 6.469,682 7.375,683 8.273,684 9.185,685 10.092,686 11.007,687 11.92,688 12.839,689 7.3,696 3,697 1,698 1,699 1,703 2,704 10,705 1,707 1,709 11,710 1,711 27,714 1,719 1,728 1,729 1,731 82,733 31,734 3,735 54,737 88,738 36,739 23,740 8,741 10,742 4,746 7,747 9,751 1,752 2,761 28,762 8,766 4,771 2,773 1,774 1,775 4,780 1,781 34,782 11,783 3,784 12,790 6,794 0.714,795 6,803 1,811 3,812 4,815 2,831 1,832 1,839 1,840 5,844 4,848 48,853 1,854 4,855 2,856 2,859 1,870 7.3,872 1,873 2,874 1,875 2,877 24.333,878 16.25,879 10.333,880 4.768,881 6.251,882 1.634,883 1.004,884 8.662,885 16.105,886 4.284,887 4.938,888 5.578,889 6.208,890 6.748,891 7.151,892 7.684,893 8.198,894 8.604,895 9.082,896 0.917,897 83,898 17.811,900 7.792,901 7.788,902 33.642,904 27.951,905 2.288,906 109.833,910 364.904,911 210.929,912 74.371,914 124.48,917 210.929,918 489.384,919 74.371,920 36.93,921 52.542,922 104.239,923 128.097,924 70.655,925 17.318,926 364.904,928 364.904,929 285.3,930 124.48,933 364.904,934 113.48,935 11,937 91.511,938 167.65,939 26.139,941 364.904,942 198.851,943 210.929,946 364.904,947 69.761,948 146.069,949 36.022,950 157.929,951 364.904,952 198.851,953 210.929,955 0.593,956 0.358,957 0.196,958 0.106,959 40,960 19,961 0.068,962 6,963 2,964 1.114,965 5.554,966 534.636,967 0.114,968 35,969 260.078,974 31.851,975 13.054,976 6.19,977 0.878,978 197.075,979 17.433,980 4.586,982 6.112,984 6.673,985 1.82,986 78.705,987 774.685,988 71.5,993 25.585,995 1.776,996 4.948,997 0.929,999 82.945,1000 92.059,1001 0.252,1002 0.658,1003 0.825,1004 0.897,1005 0.906,1006 0.91,1007 5.556,1008 2.199,1009 6.479,1010 7.178,1011 5.069,1012 5.628,1013 2.514,1014 7.34,1015 5.007,1016 6.792,1017 2.071,1018 8.071,1019 6.603,1020 4.745,1021 5.551,1022 1.305,1023 8.313,1024 4.669,1025 8.127,1026 2.043,1027 9.761,1028 6.383,1029 6.718,1030 7.886,1031 2.843,1032 11.453,1033 6.609,1034 9.497,1035 1.871,1036 11.507,1037 6.177,1038 7.209,1039 8.634,1040 2.41,1041 13.269,1042 7.089,1043 10.9,1044 1.778,1045 13.29,1046 5.725,1047 8.665,1048 10.459,1049 3.467,1050 15.938,1051 8.521,1052 12.326,1053 1.719,1054 15.1,1055 5.094,1056 9.527,1057 11.594,1058 3.463,1059 18.116,1060 9.371,1061 13.771,1062 1.59,1063 16.929,1064 4.957,1065 10.792,1066 13.218,1067 4.268,1068 20.63,1069 10.616,1070 3.359,1071 1.468,1072 18.775,1073 4.712,1074 11.823,1075 14.541,1076 4.498,1077 22.964,1078 11.634,1079 3.178,1080 12.062,1081 20.634,1082 3.709,1083 13.019,1084 16.084,1085 5.167,1086 25.429,1087 12.812,1088 2.998,1089 10.814,1090 22.504,1091 4.603,1092 14.127,1093 17.498,1094 5.523,1095 27.83,1096 13.905,1097 2.976,1098 10.22,1099 24.382,1100 4.396,1101 15.302,1102 19.009,1103 6.119,1104 30.285,1105 15.063,1106 2.659,1107 9.668,1108 26.269,1109 4.072,1110 16.445,1111 20.467,1112 6.542,1113 32.718,1114 16.19,1115 2.475,1116 7.754,1117 28.161,1118 3.801,1119 17.617,1120 21.969,1121 7.097,1122 35.174,1123 17.345,1124 2.41,1125 7.481,1126 30.06,1127 3.379,1128 18.779,1129 23.449,1130 7.557,1131 37.624,1132 18.489,1133 45096,1134 74127,1135 36.123,1136 55.421,1137 83.324,1138 85.579,1139 85.853,1140 82.241,1141 82.311,1142 107.973,1143 11.432,1144 247.421,1145 79.573,1146 5.728,1147 5.694,1148 6.839,1149 5.444,1150 5.359,1151 7.603,1152 2.912,1153 19.753,1154 5.295,1155 26.251,1156 1.543,1157 1.585,1158 1.59,1159 1.523,1160 1.524,1161 2,1162 0.212,1163 4.582,1164 1.474,1165 4.153,1166 4.168,1167 4.129,1168 4.057,1169 7.432,1170 4.071,1171 4.033,1172 4.059,1173 4.006,1174 3.936,1175 7.427,1176 3.948,1177 3.956,1178 3.985,1179 3.905,1180 3.866,1181 6.471,1182 3.87,1183 3.889,1184 3.93,1185 3.846,1186 3.754,1187 5.084,1188 3.771,1189 3.749,1190 3.801,1191 3.648,1192 3.532,1193 4.978,1194 3.551,1195 3.576,1196 3.604,1197 3.523,1198 3.424,1199 4.852,1200 3.439,1201 3.433,1202 3.469,1203 3.373,1204 3.211,1205 4.727,1206 3.249,1207 3.298,1208 3.338,1209 3.229,1210 3.088,1211 4.608,1212 3.118,1213 0.088,1214 0.068,1215 0.13,1216 0.08,1217 0.062,1218 4.728,1219 0.085,1220 3.694,1221 0.031,1222 7.037,1223 0.223,1224 4.34,1225 0.061,1226 3.359,1227 4.603,1228 1.656,1229 12.062,1230 3.295,1231 1.93,1232 1.909,1233 2.022,1234 2.048,1235 1.207,1236 2.039,1237 1.906,1238 1.885,1239 1.991,1240 2.007,1241 1.139,1242 2,1243 1.879,1244 1.865,1245 1.96,1246 1.961,1247 1.104,1248 1.961,1249 1.739,1250 1.712,1251 1.893,1252 1.909,1253 1.072,1254 1.907,1255 1.681,1256 1.625,1257 1.86,1258 1.876,1259 1.02,1260 1.869,1261 1.549,1262 1.507,1263 1.753,1264 1.798,1265 0.825,1266 1.784,1267 1.489,1268 1.428,1269 1.644,1270 1.672,1271 0.81,1272 1.659,1273 1.296,1274 1.26,1275 1.56,1276 1.601,1277 0.733,1278 1.545,1279 4.691,1281 6.052,1282 3.434,1283 7.597,1284 5.938,1285 9.224,1286 8.116,1287 10.896,1289 7.437,1294 11.342,1295 2.164,1296 5.582,1297 10.816,1300 1.751,1305 53.792,1306 131.209,1307 342.853,1308 430.326,1309 467.545,1310 472.3,1311 474.3,1312 95.429,1313 9.854,1314 143.98,1315 143.98,1316 39,1317 13.349,1318 5,1319 4.209,1320 68.949,1321 309,1322 348,1323 0.107,1324 322.246,1325 566.84,1326 778.04,1327 371442,1329 33.526,1330 0.698,1331 0.562,1332 33.526,1333 26.957,1334 23.194,1335 0.43,1336 0.287,1337 15.23,1338 22.115,1339 14.797,1340 12.224,1341 23.194,1342 15.502,1343 21.51,1344 0.272,1345 0.148,1346 21.51,1347 11.658,1348 19.064,1349 0.173,1350 0.079,1351 19.064,1352 8.636,1353 16.201,1354 0.108,1355 0.04,1356 16.201,1357 6.065,1358 13.092,1359 0.069,1360 0.021,1361 13.092,1362 4.038,1363 0.173,1364 146.695,1365 0.166,1366 42.062,1367 0.277,1368 266,1369 814.074,1370 295.374,1371 774.986,1372 1072.45,1373 728,1374 322,1375 806.713,1376 352.266,1377 812.374,1378 1198.64,1379 764,1380 9.699}
{0 CHEMBL1082618,1 1.58,2 19.041,3 4.641,4 21.54,5 187.752,6 7.672,7 0.491,8 4.569,9 4.683,10 4.164,11 4.087,12 5.703,13 4.086,14 5.104,15 5.275,16 4.561,17 4.489,18 6.202,19 4.48,20 5.308,21 5.479,22 4.638,23 4.65,24 6.438,25 4.619,26 5.456,27 5.656,28 4.603,29 4.696,30 6.55,31 4.63,32 5.439,33 5.654,34 4.614,35 4.655,36 6.553,37 4.601,38 5.405,39 5.606,40 4.615,41 4.679,42 6.487,43 4.62,44 5.409,45 5.599,46 4.644,47 4.666,48 6.577,49 4.614,50 5.408,51 5.605,52 4.585,53 4.619,54 6.579,55 4.561,56 0.113,57 1.298,58 16.847,59 7.524,60 13.952,61 9.477,62 0.516,63 2.094,64 33.017,65 12.062,66 36.925,67 16.044,68 0.625,69 2.491,70 40.738,71 15.038,72 59.253,73 19.524,74 0.66,75 2.717,76 50.215,77 18.625,78 85.909,79 24.603,80 0.898,81 2.615,82 51.36,83 17.966,84 103.135,85 24.268,86 0.626,87 2.578,88 47.744,89 18.292,90 73.716,91 24.36,92 0.961,93 2.577,94 47.587,95 17.715,96 102.498,97 23.57,98 1.079,99 2.505,100 48.865,101 17.598,102 113.703,103 23.296,104 66,105 81,106 0.233,107 0.602,108 0.76,109 0.848,110 0.856,111 0.86,112 3.915,113 0.873,114 -2.91,115 -2.91,116 -2.81,119 43,120 2,124 3,125 4,135 1,136 1,142 10,143 4,144 5,146 1,152 3,157 1,158 1,159 1,166 1,172 10,174 1,175 15,178 2,179 1,180 5,183 13,186 1,187 14,190 1,192 6,195 11,198 2,199 14,204 7,207 10,211 3,212 12,215 1,216 1,217 6,220 10,224 10,227 3,229 4,232 13,236 4,237 9,240 2,241 1,242 2,245 16,249 4,250 7,253 5,255 5,258 13,263 9,266 2,268 5,271 9,275 5870,276 32.936,277 32.936,278 32.936,279 32.936,280 32.936,281 29.078,282 42.844,283 18.723,284 33.6,285 27.028,286 27.028,287 27.028,288 27.028,289 27.028,290 20.939,291 59.605,292 8.84,293 27.973,294 4.846,295 2.35,296 1.276,297 0.681,298 0.625,299 0.602,300 4.628,306 2072,307 4.359,310 359.738,311 658.998,314 443.017,318 3.1,319 52.303,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 106.5,331 933,332 4.728,333 3.695,334 7.037,335 4.34,336 3.359,337 4.603,338 1.656,339 12.062,340 3.295,341 4.617,342 3.563,343 6.7,344 4.164,345 3.178,346 4.396,347 1.2,348 10.814,349 3.131,350 4.386,351 3.507,352 6.541,353 3.973,354 2.998,355 4.072,356 0.86,357 10.22,358 2.928,359 4.266,360 3.255,361 6.393,362 3.965,363 2.984,364 3.801,365 0.8,366 9.676,367 2.922,368 3.953,369 3.12,370 5.709,371 3.626,372 2.664,373 3.379,374 0.6,375 7.755,376 2.555,377 3.849,378 2.773,379 5.622,380 3.459,381 2.495,382 3.236,383 0.293,384 7.483,385 2.406,386 3.766,387 2.763,388 5.515,389 3.378,390 2.428,391 3.159,392 0.247,393 7.186,394 2.306,395 3.554,396 2.581,397 5.334,398 3.291,399 2.339,400 2.833,402 6.669,403 2.218,404 3.434,405 2.491,406 5.26,407 3.097,408 2.123,409 2.647,411 6.404,412 2.06,413 3.385,414 2.28,415 5.199,416 3.014,417 2.062,418 2.588,420 6.38,421 1.954,422 3.293,423 2.159,424 5.148,425 2.898,426 1.938,427 2.538,428 5.731,429 1.859,430 3.25,431 2.124,432 4.915,433 2.824,434 1.858,435 2.43,436 5.603,437 1.79,438 3.107,439 2.05,440 4.865,441 2.72,442 1.737,443 2.286,445 5.086,446 1.691,447 3.038,448 1.96,449 4.775,450 2.683,451 1.715,452 2.18,454 4.948,455 1.656,456 2.994,457 1.863,458 4.587,459 2.576,460 1.587,461 2.103,463 4.699,464 1.567,465 22.967,466 0.469,467 1.428,468 0.029,469 65.5,470 1.337,471 32.5,472 0.663,473 33,474 0.673,475 48.094,476 0.982,477 52.033,478 0.605,479 62.754,480 1.281,481 13.212,482 0.27,483 10.376,484 0.212,485 0.152,487 0.422,493 0.825,494 1.333,495 0.755,496 1.088,497 0.688,498 0.936,499 0.905,500 1.009,501 0.747,502 0.808,503 0.555,504 0.746,505 1.1,506 1.056,507 1.019,508 1.002,509 0.909,510 0.982,511 1.093,512 1.11,513 1.056,514 1.12,515 1.193,516 1.09,517 1.025,518 0.929,519 0.9,520 0.902,521 1.299,522 0.883,523 0.916,524 1.023,525 0.894,526 1.028,527 0.925,528 0.973,529 0.861,530 1.078,531 0.945,532 1.082,533 0.897,534 1.039,535 0.991,536 0.997,537 0.995,538 1.044,539 0.793,540 1.031,541 11,542 0.348,543 6.222,544 5.069,545 2.841,546 2.144,547 1.608,548 1.163,549 0.904,550 0.567,551 52292,552 132313,553 2.107,554 43,556 28,559 3,560 6,564 1.844,565 1.947,566 4.086,567 0.673,573 135.898,574 1.58,575 4.077,576 5.15,577 5.746,578 5.801,579 5.824,580 3.537,581 5.354,582 5.583,583 4.372,584 5141.82,585 9.904,586 107682,591 552.659,592 1.478,593 5.535,594 0.2,595 0.006,596 0.077,597 0.06,598 0.036,599 0.026,600 0.02,601 0.014,602 0.012,603 0.009,604 0.46,605 0.33,606 0.63,607 0.656,608 297.627,609 -0.036,610 -0.152,611 0.058,612 -0.054,613 -0.075,614 0.004,615 0.018,616 0.118,617 0.161,618 0.173,619 0.086,620 0.192,621 -0.108,622 0.046,623 -0.103,624 -0.017,625 -0.018,626 -0.043,627 -0.103,628 -0.101,629 -0.096,630 -0.118,631 -0.069,632 -0.109,633 0.021,634 0.062,635 0.09,636 0.087,637 -0.053,638 0.099,639 0.006,640 -0.027,641 0.058,642 -0.008,643 0.002,644 0.027,645 0.179,646 -0.066,647 0.013,648 -0.077,649 0.103,650 -0.062,651 0.153,652 -0.007,653 -0.01,654 -0.049,655 0.156,656 -0.059,657 2.137,658 5.904,659 0.714,660 76.935,661 1.007,662 1.125,663 1.675,664 2.807,665 0.671,666 4.025,667 4.407,668 4.727,669 5.03,670 5.278,671 5.425,672 5.649,673 5.841,674 5.961,675 6.111,676 10.932,677 0.647,678 659.81,679 4.025,680 5.609,681 6.491,682 7.397,683 8.295,684 9.206,685 10.113,686 11.028,687 11.94,688 12.858,689 8.1,692 1,696 3,697 1,698 1,699 1,703 2,704 10,705 1,707 1,709 11,710 1,711 27,714 1,719 1,728 1,729 1,731 86,733 31,734 3,735 55,737 92,738 37,739 23,740 8,741 10,742 4,746 7,747 9,751 1,752 2,761 28,762 9,766 4,771 2,773 1,774 1,775 4,780 1,781 37,782 11,783 3,784 12,790 7,794 0.714,795 5,803 1,811 3,812 4,815 2,831 1,832 1,836 1,840 5,844 5,848 49,853 1,854 4,855 2,856 1,859 2,870 5.8,872 1,873 2,875 2,877 25.167,878 17.283,879 10.5,880 5.001,881 6.262,882 1.631,883 1.003,884 8.898,885 16.192,886 4.297,887 4.952,888 5.585,889 6.212,890 6.753,891 7.158,892 7.687,893 8.201,894 8.606,895 9.086,896 1,897 85,898 18.187,900 7.933,901 7.752,902 34.522,904 28.733,905 2.252,906 110.333,910 400.217,911 214.352,912 77.495,914 113.48,917 214.352,918 513.698,919 77.495,920 45.326,921 47.569,922 104.239,923 117.098,924 73.779,925 17.318,926 400.217,928 400.217,929 291.848,930 113.48,933 400.217,934 113.48,937 89.662,938 176.046,939 26.139,941 400.217,942 190.976,943 214.352,946 400.217,947 64.787,948 157.59,949 36.022,950 146.929,951 400.217,952 190.976,953 214.352,955 0.597,956 0.358,957 0.192,958 0.106,959 41,960 20,961 0.065,962 6,963 2,964 1.114,965 5.613,966 548.098,967 0.114,968 35,969 267.121,974 32.802,975 13.292,976 6.406,977 0.888,978 189.199,979 17.572,980 4.59,982 6.122,984 6.755,985 1.823,986 78.705,987 805.546,988 72.5,993 25.769,995 1.781,996 4.953,997 0.996,999 86.603,1000 96.763,1001 0.246,1002 0.634,1003 0.801,1004 0.894,1005 0.903,1006 0.906,1007 5.575,1008 2.339,1009 6.506,1010 7.186,1011 5.094,1012 5.642,1013 2.471,1014 7.367,1015 5.033,1016 6.814,1017 2.123,1018 8.1,1019 6.669,1020 4.796,1021 5.574,1022 1.404,1023 8.339,1024 4.709,1025 8.148,1026 2.062,1027 9.789,1028 6.404,1029 6.746,1030 7.895,1031 2.806,1032 11.471,1033 6.636,1034 9.517,1035 1.938,1036 11.534,1037 6.38,1038 7.245,1039 8.642,1040 2.438,1041 13.279,1042 7.115,1043 10.918,1044 1.858,1045 13.314,1046 5.731,1047 8.691,1048 10.463,1049 3.45,1050 15.946,1051 8.541,1052 12.342,1053 1.737,1054 15.12,1055 5.603,1056 9.552,1057 11.597,1058 3.469,1059 18.12,1060 9.387,1061 13.784,1062 1.715,1063 16.946,1064 5.086,1065 10.811,1066 13.22,1067 4.262,1068 20.634,1069 10.63,1070 3.359,1071 1.587,1072 18.789,1073 4.948,1074 11.841,1075 14.542,1076 4.499,1077 22.965,1078 11.644,1079 3.178,1080 12.062,1081 20.645,1082 4.699,1083 13.033,1084 16.085,1085 5.165,1086 25.431,1087 12.821,1088 2.998,1089 10.814,1090 22.512,1091 4.603,1092 14.14,1093 17.498,1094 5.523,1095 27.831,1096 13.912,1097 2.984,1098 10.22,1099 24.389,1100 4.396,1101 15.312,1102 19.01,1103 6.118,1104 30.286,1105 15.069,1106 2.664,1107 9.676,1108 26.274,1109 4.072,1110 16.455,1111 20.467,1112 6.542,1113 32.718,1114 16.195,1115 2.495,1116 7.755,1117 28.166,1118 3.801,1119 17.625,1120 21.969,1121 7.097,1122 35.174,1123 17.349,1124 2.428,1125 7.483,1126 30.063,1127 3.379,1128 18.786,1129 23.449,1130 7.557,1131 37.624,1132 18.493,1133 48049,1134 76742,1135 36.528,1136 57.733,1137 85.139,1138 86.89,1139 88.162,1140 83.882,1141 83.917,1142 109.576,1143 11.312,1144 253.67,1145 81.279,1146 5.728,1147 5.695,1148 6.584,1149 5.407,1150 5.359,1151 7.603,1152 2.912,1153 19.753,1154 5.295,1155 28.771,1156 1.548,1157 1.58,1158 1.603,1159 1.525,1160 1.526,1161 1.992,1162 0.206,1163 4.612,1164 1.478,1165 4.154,1166 4.17,1167 4.129,1168 4.057,1169 7.432,1170 4.072,1171 4.033,1172 4.059,1173 4.006,1174 3.936,1175 7.427,1176 3.948,1177 3.962,1178 3.997,1179 3.908,1180 3.868,1181 6.471,1182 3.872,1183 3.889,1184 3.93,1185 3.846,1186 3.754,1187 5.084,1188 3.771,1189 3.794,1190 3.861,1191 3.688,1192 3.599,1193 4.978,1194 3.61,1195 3.579,1196 3.609,1197 3.53,1198 3.425,1199 4.852,1200 3.44,1201 3.439,1202 3.478,1203 3.38,1204 3.217,1205 4.724,1206 3.256,1207 3.33,1208 3.383,1209 3.255,1210 3.114,1211 4.59,1212 3.142,1213 0.086,1214 0.067,1215 0.128,1216 0.079,1217 0.061,1218 4.728,1219 0.084,1220 3.695,1221 0.03,1222 7.037,1223 0.219,1224 4.34,1225 0.06,1226 3.359,1227 4.603,1228 1.656,1229 12.062,1230 3.295,1231 1.931,1232 1.91,1233 2.031,1234 2.059,1235 1.287,1236 2.051,1237 1.907,1238 1.886,1239 1.994,1240 2.015,1241 1.139,1242 2.008,1243 1.879,1244 1.865,1245 1.96,1246 1.961,1247 1.105,1248 1.961,1249 1.748,1250 1.712,1251 1.949,1252 1.944,1253 1.083,1254 1.95,1255 1.739,1256 1.677,1257 1.86,1258 1.876,1259 1.02,1260 1.869,1261 1.549,1262 1.507,1263 1.753,1264 1.798,1265 0.825,1266 1.784,1267 1.489,1268 1.428,1269 1.644,1270 1.672,1271 0.81,1272 1.659,1273 1.317,1274 1.275,1275 1.561,1276 1.618,1277 0.733,1278 1.572,1279 4.71,1281 6.075,1282 3.434,1283 7.622,1284 5.938,1285 9.249,1286 8.116,1287 10.921,1289 9.493,1294 11.359,1295 3.074,1296 5.615,1297 5.501,1300 4.04,1305 55.626,1306 135.898,1307 350.589,1308 442.91,1309 494.129,1310 498.884,1311 500.884,1312 97.838,1313 9.93,1314 137.99,1315 137.99,1316 39,1317 13.369,1318 5,1319 4.209,1320 71.171,1321 324,1322 381,1323 0.105,1324 334.636,1325 586.35,1326 808.272,1327 409389,1329 34.396,1330 0.702,1331 0.571,1332 34.396,1333 27.996,1334 23.588,1335 0.429,1336 0.291,1337 15.736,1338 22.541,1339 15.224,1340 12.632,1341 23.588,1342 16.005,1343 22.131,1344 0.273,1345 0.152,1346 22.131,1347 12.349,1348 19.475,1349 0.174,1350 0.082,1351 19.475,1352 9.129,1353 16.352,1354 0.108,1355 0.042,1356 16.352,1357 6.309,1358 13.309,1359 0.068,1360 0.022,1361 13.309,1362 4.32,1363 0.171,1364 148.755,1365 0.165,1366 42.808,1367 0.271,1368 272,1369 795.983,1370 300.244,1371 765.626,1372 1062.89,1373 718,1374 329,1375 805.837,1376 358.718,1377 815.203,1378 1200.21,1379 765,1380 9.699}
{0 CHEMBL1082619,1 1.571,2 19.082,3 4.823,4 23.257,5 189.721,6 7.521,7 0.5,8 4.579,9 4.696,10 4.151,11 4.083,12 5.722,13 4.078,14 5.101,15 5.283,16 4.535,17 4.47,18 6.2,19 4.459,20 5.277,21 5.44,22 4.618,23 4.631,24 6.436,25 4.599,26 5.472,27 5.681,28 4.601,29 4.691,30 6.558,31 4.625,32 5.454,33 5.67,34 4.628,35 4.672,36 6.56,37 4.617,38 5.46,39 5.665,40 4.627,41 4.715,42 6.542,43 4.647,44 5.483,45 5.691,46 4.656,47 4.694,48 6.63,49 4.635,50 5.426,51 5.618,52 4.599,53 4.651,54 6.602,55 4.589,56 0.103,57 1.314,58 17.763,59 7.69,60 14.48,61 9.92,62 0.531,63 2.069,64 34.244,65 12.035,66 38.499,67 16.411,68 0.546,69 2.422,70 39.797,71 14.87,72 57.488,73 19.517,74 0.675,75 2.735,76 52.483,77 18.651,78 91.427,79 25.298,80 0.878,81 2.674,82 52.3,83 17.761,84 95.905,85 24.526,86 0.61,87 2.695,88 51.22,89 19.418,90 77.56,91 26.271,92 1.063,93 2.692,94 53.86,95 19.071,96 120.649,97 26.043,98 1.051,99 2.556,100 49.849,101 18.003,102 113.78,103 24.048,104 109,105 79,106 0.232,107 0.593,108 0.752,109 0.851,110 0.859,111 0.862,112 3.915,113 0.876,114 -2.91,115 -2.91,116 -2.81,119 42,120 2,124 5,125 2,135 1,136 1,142 10,143 4,144 5,146 1,152 3,157 1,158 1,159 1,166 1,172 10,174 1,175 15,178 2,179 1,180 5,183 13,186 1,187 14,190 1,192 6,195 11,198 2,199 14,204 7,207 10,211 3,212 12,215 1,216 1,217 6,220 10,224 10,227 3,229 4,232 13,236 4,237 9,240 2,241 1,242 2,245 16,249 4,250 7,253 5,255 5,258 13,263 9,266 2,268 5,271 9,275 5960,276 32.488,277 32.488,278 32.488,279 32.488,280 32.488,281 28.63,282 41.726,283 18.531,284 33.15,285 26.518,286 26.518,287 26.518,288 26.518,289 26.518,290 20.422,291 57.105,292 8.743,293 27.443,294 4.888,295 2.433,296 1.355,297 0.682,298 0.628,299 0.606,300 4.617,306 2031,307 5.099,310 365.279,311 479.62,314 450.709,318 3.138,319 51.417,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.61,330 106.5,331 935,332 4.728,333 3.678,334 7.037,335 4.34,336 3.359,337 4.603,338 1.656,339 12.062,340 3.295,341 4.617,342 3.563,343 6.7,344 4.164,345 3.178,346 4.396,347 1.2,348 10.814,349 3.131,350 4.386,351 3.507,352 6.541,353 3.973,354 2.998,355 4.072,356 0.86,357 10.22,358 2.922,359 4.254,360 3.255,361 6.332,362 3.935,363 2.947,364 3.798,365 0.8,366 9.392,367 2.909,368 3.948,369 3.12,370 5.709,371 3.616,372 2.652,373 3.378,374 0.6,375 7.748,376 2.548,377 3.844,378 2.763,379 5.62,380 3.435,381 2.468,382 3.232,383 0.293,384 7.471,385 2.389,386 3.758,387 2.618,388 5.504,389 3.358,390 2.404,391 3.151,392 0.247,393 7.15,394 2.291,395 3.53,396 2.57,397 5.292,398 3.18,399 2.24,400 2.828,402 6.551,403 2.115,404 3.386,405 2.491,406 5.248,407 3.084,408 2.119,409 2.646,411 6.382,412 2.025,413 3.34,414 2.28,415 5.15,416 3.014,417 2.062,418 2.545,420 5.831,421 1.954,422 3.266,423 2.138,424 5.04,425 2.898,426 1.937,427 2.536,428 5.719,429 1.858,430 3.226,431 2.122,432 4.865,433 2.824,434 1.857,435 2.317,436 5.116,437 1.79,438 3.107,439 2.05,440 4.776,441 2.717,442 1.734,443 2.28,445 5.013,446 1.689,447 3.038,448 1.96,449 4.631,450 2.683,451 1.714,452 2.177,454 4.898,455 1.655,456 2.994,457 1.859,458 4.564,459 2.576,460 1.586,461 2.094,463 4.665,464 1.567,465 22.967,466 0.469,467 1.504,468 0.031,469 65,470 1.327,471 32.5,472 0.663,473 32.5,474 0.663,475 48.511,476 0.99,477 52.633,478 0.598,479 63.894,480 1.304,481 13.295,482 0.271,483 10.131,484 0.207,485 0.196,487 0.422,493 0.831,494 1.37,495 0.78,496 1.125,497 0.709,498 0.97,499 0.927,500 0.935,501 0.729,502 0.747,503 0.565,504 0.695,505 1.102,506 1.133,507 1.031,508 1.075,509 0.946,510 1.035,511 1.106,512 1.094,513 1.016,514 1.064,515 1.197,516 1.032,517 1.023,518 0.934,519 0.918,520 0.9,521 1.184,522 0.887,523 0.908,524 1.067,525 0.922,526 1.084,527 0.95,528 1.023,529 0.902,530 0.991,531 0.894,532 0.982,533 1.02,534 0.946,535 0.996,536 1.023,537 1.029,538 1.085,539 0.806,540 1.073,541 11.5,542 0.352,543 6.222,544 5.069,545 2.859,546 2.185,547 1.63,548 1.157,549 0.949,550 0.577,551 49831,552 128338,553 2.049,554 44.3,556 30,559 3,560 6,564 1.844,565 1.873,566 4.088,567 0.673,573 138.288,574 1.571,575 4.026,576 5.104,577 5.777,578 5.831,579 5.854,580 3.551,581 5.395,582 5.581,583 4.39,584 5162.45,585 9.903,586 108607,591 568.43,592 1.526,593 5.523,594 0.213,595 0.007,596 0.079,597 0.061,598 0.036,599 0.027,600 0.02,601 0.014,602 0.012,603 0.009,604 0.477,605 0.33,606 0.63,607 1.229,608 297.993,609 -0.031,610 -0.171,611 0.055,612 -0.069,613 -0.089,614 -0.007,615 0.02,616 0.195,617 0.199,618 0.239,619 0.092,620 0.254,621 -0.096,622 -0.013,623 -0.117,624 -0.067,625 -0.023,626 -0.084,627 -0.098,628 -0.082,629 -0.045,630 -0.065,631 -0.068,632 -0.05,633 0.01,634 0.087,635 0.064,636 0.082,637 -0.036,638 0.086,639 0.01,640 -0.067,641 0.031,642 -0.057,643 0.001,644 -0.018,645 0.171,646 -0.002,647 0.09,648 0.022,649 0.09,650 0.04,651 0.143,652 -0.013,653 -0.055,654 -0.08,655 0.14,656 -0.1,657 2.147,658 5.883,659 0.592,660 78.942,661 1.006,662 1.127,663 1.675,664 2.807,665 0.665,666 4.007,667 4.382,668 4.682,669 4.977,670 5.215,671 5.371,672 5.606,673 5.799,674 5.919,675 6.066,676 11.035,677 0.638,678 661.83,679 4.007,680 5.587,681 6.46,682 7.363,683 8.257,684 9.166,685 10.071,686 10.986,687 11.897,688 12.816,689 8,692 1,696 3,697 1,698 1,699 1,703 2,704 10,705 1,707 1,709 11,710 1,711 27,714 1,719 1,728 1,729 1,731 88,733 31,734 3,735 54,737 93,738 37,739 23,740 8,741 10,742 4,746 6,747 8,751 1,752 2,761 28,762 9,766 4,771 2,773 1,774 1,775 4,780 1,781 39,782 11,783 3,784 12,790 7,794 0.667,795 5,803 1,811 3,812 3,815 2,831 1,832 1,836 1,840 4,844 7,848 49,853 1,854 2,855 2,856 1,859 2,870 5.7,872 1,873 2,875 2,877 26.167,878 18.283,879 10.583,880 4.951,881 6.223,882 1.643,883 0.982,884 9.769,885 15.905,886 4.284,887 4.938,888 5.566,889 6.194,890 6.736,891 7.144,892 7.676,893 8.19,894 8.595,895 9.076,896 1,897 83,898 18.155,900 7.778,901 7.772,902 34.303,904 27.912,905 2.272,906 111.333,910 423.76,911 226.934,912 77.495,914 113.48,917 226.934,918 537.24,919 77.495,920 62.119,921 43.357,922 104.239,923 117.098,924 73.779,925 17.318,926 423.76,928 423.76,929 304.429,930 113.48,933 423.76,934 113.48,937 85.451,938 192.839,939 26.139,941 423.76,942 190.976,943 226.934,946 423.76,947 60.576,948 174.383,949 36.022,950 146.929,951 423.76,952 190.976,953 226.934,955 0.595,956 0.35,957 0.185,958 0.102,959 38,960 20,961 0.097,962 9,963 2,964 1.138,965 5.539,966 536.741,967 0.138,968 29,969 269.121,974 34.147,975 14.018,976 7.047,977 0.879,978 189.199,979 17.431,980 4.588,982 6.117,984 6.665,985 1.82,986 78.705,987 841.669,988 71.5,993 25.599,995 1.777,996 4.95,997 0.905,999 88.487,1000 99.178,1001 0.243,1002 0.623,1003 0.79,1004 0.894,1005 0.903,1006 0.906,1007 5.556,1008 2.24,1009 6.479,1010 7.15,1011 5.069,1012 5.628,1013 2.471,1014 7.336,1015 5.009,1016 6.799,1017 2.119,1018 8.073,1019 6.551,1020 4.796,1021 5.574,1022 1.404,1023 8.313,1024 4.709,1025 8.134,1026 2.062,1027 9.763,1028 6.382,1029 6.718,1030 7.886,1031 2.806,1032 11.44,1033 6.611,1034 9.504,1035 1.937,1036 11.508,1037 5.831,1038 7.231,1039 8.639,1040 2.438,1041 13.251,1042 7.104,1043 10.905,1044 1.857,1045 13.288,1046 5.719,1047 8.661,1048 10.458,1049 3.45,1050 15.919,1051 8.519,1052 12.329,1053 1.734,1054 15.095,1055 5.116,1056 9.531,1057 11.594,1058 3.469,1059 18.096,1060 9.373,1061 13.772,1062 1.714,1063 16.922,1064 5.013,1065 10.784,1066 13.217,1067 4.262,1068 20.611,1069 10.611,1070 3.359,1071 1.586,1072 18.765,1073 4.898,1074 11.818,1075 14.54,1076 4.499,1077 22.945,1078 11.63,1079 3.178,1080 12.062,1081 20.622,1082 4.665,1083 13.008,1084 16.083,1085 5.165,1086 25.412,1087 12.806,1088 2.998,1089 10.814,1090 22.491,1091 4.603,1092 14.117,1093 17.497,1094 5.523,1095 27.815,1096 13.899,1097 2.947,1098 10.22,1099 24.368,1100 4.396,1101 15.289,1102 19.009,1103 6.118,1104 30.271,1105 15.056,1106 2.652,1107 9.392,1108 26.254,1109 4.072,1110 16.434,1111 20.466,1112 6.542,1113 32.705,1114 16.183,1115 2.468,1116 7.748,1117 28.146,1118 3.798,1119 17.604,1120 21.968,1121 7.097,1122 35.163,1123 17.337,1124 2.404,1125 7.471,1126 30.044,1127 3.378,1128 18.766,1129 23.449,1130 7.557,1131 37.614,1132 18.482,1133 47148,1134 75969,1135 35.142,1136 58.495,1137 83.161,1138 85.17,1139 86.7,1140 82.069,1141 82.072,1142 107.721,1143 11.312,1144 246.775,1145 79.49,1146 5.629,1147 5.678,1148 6.584,1149 5.392,1150 5.359,1151 7.603,1152 2.912,1153 19.753,1154 5.295,1155 32.526,1156 1.54,1157 1.577,1158 1.606,1159 1.52,1160 1.52,1161 1.995,1162 0.209,1163 4.57,1164 1.472,1165 4.154,1166 4.169,1167 4.129,1168 4.057,1169 7.432,1170 4.071,1171 4.033,1172 4.059,1173 4.006,1174 3.936,1175 7.427,1176 3.948,1177 3.95,1178 3.979,1179 3.899,1180 3.864,1181 6.471,1182 3.867,1183 3.889,1184 3.93,1185 3.846,1186 3.754,1187 5.084,1188 3.771,1189 3.714,1190 3.793,1191 3.601,1192 3.495,1193 4.978,1194 3.507,1195 3.583,1196 3.619,1197 3.522,1198 3.425,1199 4.852,1200 3.44,1201 3.476,1202 3.542,1203 3.389,1204 3.241,1205 4.724,1206 3.273,1207 3.406,1208 3.455,1209 3.311,1210 3.179,1211 4.59,1212 3.202,1213 0.088,1214 0.068,1215 0.13,1216 0.08,1217 0.062,1218 4.728,1219 0.085,1220 3.678,1221 0.031,1222 7.037,1223 0.223,1224 4.34,1225 0.061,1226 3.359,1227 4.603,1228 1.656,1229 12.062,1230 3.295,1231 1.929,1232 1.909,1233 2.019,1234 2.042,1235 1.167,1236 2.034,1237 1.904,1238 1.883,1239 1.99,1240 2,1241 1.139,1242 1.996,1243 1.879,1244 1.865,1245 1.96,1246 1.961,1247 1.104,1248 1.961,1249 1.739,1250 1.712,1251 1.903,1252 1.901,1253 1.076,1254 1.908,1255 1.66,1256 1.581,1257 1.86,1258 1.876,1259 1.02,1260 1.869,1261 1.549,1262 1.507,1263 1.753,1264 1.798,1265 0.81,1266 1.784,1267 1.489,1268 1.428,1269 1.698,1270 1.702,1271 0.78,1272 1.699,1273 1.413,1274 1.337,1275 1.644,1276 1.672,1277 0.733,1278 1.659,1279 4.691,1281 6.052,1282 3.434,1283 7.588,1284 5.938,1285 9.206,1286 8.116,1287 10.87,1289 13.121,1294 11.352,1295 1.363,1296 5.588,1297 5.499,1300 3.679,1305 56.153,1306 138.288,1307 354.306,1308 449.172,1309 508.391,1310 513.146,1311 515.146,1312 107.203,1313 9.682,1314 137.99,1315 137.99,1316 33,1317 13.327,1318 5,1319 4.209,1320 78.424,1321 326,1322 381,1323 0.115,1324 342.03,1325 598.71,1326 826.312,1327 296341,1329 34.982,1330 0.714,1331 0.583,1332 34.982,1333 28.581,1334 23.426,1335 0.434,1336 0.292,1337 15.489,1338 22.364,1339 14.862,1340 12.452,1341 23.426,1342 15.767,1343 22.06,1344 0.279,1345 0.155,1346 22.06,1347 12.283,1348 18.768,1349 0.175,1350 0.08,1351 18.768,1352 8.567,1353 15.48,1354 0.107,1355 0.04,1356 15.48,1357 5.788,1358 12.539,1359 0.069,1360 0.021,1361 12.539,1362 3.92,1363 0.188,1364 147.953,1365 0.169,1366 42.805,1367 0.299,1368 266,1369 789.983,1370 293.578,1371 761.205,1372 1050.57,1373 712,1374 319,1375 791.133,1376 348.024,1377 804.709,1378 1177.82,1379 751,1380 9.523}
{0 CHEMBL1082620,1 1.679,2 18.388,3 4.577,4 20.949,5 180.993,6 8.107,7 0.491,8 4.536,9 4.639,10 4.171,11 4.05,12 5.718,13 4.065,14 5.067,15 5.218,16 4.572,17 4.445,18 6.239,19 4.455,20 5.265,21 5.423,22 4.66,23 4.587,24 6.492,25 4.583,26 5.372,27 5.547,28 4.648,29 4.634,30 6.591,31 4.602,32 5.384,33 5.574,34 4.65,35 4.617,36 6.602,37 4.588,38 5.399,39 5.594,40 4.642,41 4.648,42 6.549,43 4.61,44 5.389,45 5.568,46 4.716,47 4.623,48 6.668,49 4.599,50 5.39,51 5.575,52 4.632,53 4.561,54 6.709,55 4.538,56 0.204,57 1.279,58 14.486,59 7.301,60 18.06,61 8.403,62 0.674,63 2.047,64 29.712,65 11.88,66 47.447,67 14.331,68 0.965,69 2.487,70 37.118,71 14.117,72 82.179,73 16.7,74 0.963,75 2.656,76 42.66,77 16.777,78 100.118,79 20.423,80 1.125,81 2.611,82 45.763,83 17.01,84 123.485,85 21.28,86 0.98,87 2.736,88 46.51,89 18.096,90 108.44,91 22.415,92 1.337,93 2.725,94 44.798,95 17.335,96 119.77,97 21.878,98 1.577,99 2.682,100 47.36,101 17.001,102 170.482,103 20.238,104 66,105 81,106 0.25,107 0.639,108 0.789,109 0.848,110 0.857,111 0.861,112 3.915,113 0.851,114 -2.82,115 -2.83,116 -2.74,119 43.9,120 2,124 2,125 4,135 1,136 1,142 9,143 4,144 6,146 1,152 3,157 1,158 1,159 1,166 1,172 9,174 1,175 14,178 2,179 1,180 5,183 12,186 1,187 13,190 1,192 6,195 9,198 2,199 14,204 7,207 8,211 3,212 12,215 1,216 1,217 6,220 10,224 7,227 3,229 4,232 11,236 4,237 9,240 2,241 1,242 1,245 15,249 4,250 7,253 5,255 5,258 11,263 9,266 2,268 5,271 8,275 5757,276 32.988,277 32.988,278 32.988,279 32.988,280 32.988,281 29.078,282 41.148,283 18.85,284 33.742,285 27.045,286 27.045,287 27.045,288 27.045,289 27.045,290 20.869,291 55.138,292 8.9,293 28.143,294 4.678,295 2.06,296 1.052,297 0.656,298 0.598,299 0.573,300 4.627,306 1999,307 4.359,310 355.217,311 654.916,314 437.356,318 3.001,319 68.082,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 108.5,331 901,332 4.748,333 3.694,334 7.063,335 4.359,336 3.381,337 4.604,338 1.656,339 12.166,340 3.308,341 4.62,342 3.564,343 6.701,344 4.165,345 3.179,346 4.427,347 1.2,348 10.816,349 3.132,350 4.435,351 3.553,352 6.631,353 4.021,354 3.052,355 4.149,356 0.86,357 10.514,358 2.956,359 4.265,360 3.255,361 6.391,362 3.958,363 2.976,364 3.801,365 0.86,366 9.668,367 2.924,368 3.971,369 3.234,370 5.925,371 3.625,372 2.662,373 3.432,374 0.6,375 8.153,376 2.555,377 3.904,378 2.818,379 5.628,380 3.498,381 2.536,382 3.266,383 0.293,384 7.685,385 2.436,386 3.774,387 2.642,388 5.513,389 3.392,390 2.43,391 3.165,392 0.247,393 7.205,394 2.331,395 3.556,396 2.627,397 5.399,398 3.171,399 2.213,400 2.863,402 6.665,403 2.12,404 3.468,405 2.534,406 5.297,407 3.1,408 2.161,409 2.748,411 6.506,412 2.013,413 3.364,414 2.473,415 5.264,416 3.007,417 2.043,418 2.605,420 6.279,421 1.959,422 3.31,423 2.23,424 5.148,425 2.941,426 1.975,427 2.559,428 6.134,429 1.897,430 3.19,431 2.064,432 4.951,433 2.773,434 1.778,435 2.37,436 5.131,437 1.757,438 3.106,439 2.007,440 4.823,441 2.694,442 1.731,443 2.29,445 5.09,446 1.663,447 3.096,448 1.978,449 4.599,450 2.658,451 1.674,452 2.279,454 4.787,455 1.642,456 2.715,457 1.841,458 4.507,459 2.376,460 1.469,461 1.754,463 3.9,464 1.321,465 22.686,466 0.463,467 1.411,468 0.029,469 65.5,470 1.337,471 32.5,472 0.663,473 33,474 0.673,475 47.863,476 0.977,477 52.314,478 0.638,479 64.047,480 1.307,481 13.318,482 0.272,483 10.287,484 0.21,485 0.145,487 0.432,491 1,493 0.771,494 1.183,495 0.701,496 1.068,497 0.639,498 0.905,499 0.903,500 1.001,501 0.726,502 0.846,503 0.592,504 0.759,505 1.084,506 1.013,507 0.982,508 0.938,509 0.931,510 0.922,511 0.979,512 1.115,513 1.029,514 1.134,515 1.092,516 1.101,517 0.947,518 0.995,519 0.914,520 0.967,521 1.164,522 0.939,523 0.982,524 1.057,525 0.935,526 1.018,527 1.044,528 0.976,529 0.737,530 1.09,531 0.844,532 1.095,533 0.761,534 1.022,535 1.178,536 1.096,537 1.058,538 1.009,539 1.108,540 1.007,541 10.5,542 0.376,543 6,544 5.319,545 3.046,546 2.032,547 1.675,548 1.203,549 0.972,550 0.547,551 51218,552 145849,553 2.107,554 40.2,556 24,559 3,560 6,564 1.845,565 1.947,566 4.026,567 0.693,573 137.717,574 1.679,575 4.297,576 5.305,577 5.702,578 5.76,579 5.784,580 3.432,581 5.314,582 5.583,583 4.328,584 5090.04,585 9.908,586 105473,591 521.319,592 1.478,593 5.535,594 0.191,595 0.007,596 0.074,597 0.062,598 0.037,599 0.024,600 0.02,601 0.014,602 0.012,603 0.008,604 0.45,605 0.33,606 0.63,607 0.656,608 296.579,609 -0.053,610 -0.103,611 0.047,612 -0.046,613 -0.073,614 0.011,615 -0.025,616 0.026,617 0.142,618 0.138,619 0.04,620 0.171,621 -0.105,622 0.057,623 -0.087,624 0.036,625 -0.037,626 -0.002,627 -0.061,628 -0.11,629 -0.109,630 -0.142,631 -0.05,632 -0.138,633 0.002,634 -0.02,635 0.045,636 0.024,637 -0.052,638 0.041,639 -0.051,640 -0.012,641 0.023,642 -0.003,643 -0.068,644 0.024,645 0.25,646 -0.057,647 0.108,648 -0.091,649 0.162,650 -0.044,651 0.064,652 0.032,653 -0.048,654 -0.015,655 0.093,656 -0.052,657 2.213,658 7.232,659 0.714,660 75.213,661 1.018,662 1.127,663 1.587,664 2.519,665 0.675,666 4.025,667 4.407,668 4.736,669 5.05,670 5.293,671 5.447,672 5.684,673 5.878,674 6.006,675 6.151,676 10.68,677 0.661,678 664.75,679 4.025,680 5.609,681 6.494,682 7.403,683 8.304,684 9.22,685 10.13,686 11.049,687 11.966,688 12.889,689 7.3,696 3,697 1,698 1,699 1,703 2,704 9,705 1,707 1,709 12,710 1,711 27,714 1,719 1,728 1,729 1,730 1,731 82,733 31,734 3,735 55,737 88,738 36,739 23,740 9,741 9,742 4,746 7,747 9,751 1,752 2,761 28,762 8,766 4,771 2,773 1,774 1,775 4,779 1,780 1,781 33,782 12,783 3,784 13,790 6,794 0.714,795 6,803 1,811 3,812 4,815 2,831 1,832 1,839 1,840 5,844 4,846 1,848 49,853 1,854 4,855 2,856 2,859 1,869 1,870 7.3,872 1,873 2,874 1,875 2,877 25.167,878 16.31,879 10.528,880 4.755,881 6.23,882 1.629,883 1.004,884 8.856,885 16.129,886 4.297,887 4.959,888 5.6,889 6.236,890 6.777,891 7.193,892 7.721,893 8.235,894 8.65,895 9.133,896 0.917,897 86,898 18.26,900 8.099,901 7.898,902 34.063,904 28.325,905 2.398,906 117.5,910 353.133,911 210.574,912 74.371,914 124.48,915 14.96,917 210.574,918 477.613,919 89.331,920 36.93,921 52.542,922 94.762,923 128.097,924 79.776,925 32.278,926 353.133,928 353.133,929 284.945,930 139.44,933 368.093,934 113.48,935 11,937 91.511,938 167.295,939 26.139,941 368.093,942 198.851,943 210.574,946 353.133,947 78.882,948 136.593,949 36.022,950 172.889,951 353.133,952 213.811,953 210.574,955 0.595,956 0.36,957 0.197,958 0.107,959 41,960 20,961 0.068,962 6,963 2,964 1.114,965 5.573,966 552.999,967 0.114,968 35,969 267.121,974 32.74,975 13.254,976 6.266,977 0.732,978 212.035,979 14.49,980 4.515,982 6.049,984 4.08,985 1.733,986 78.705,987 777.519,988 72.5,993 25.581,995 1.623,996 4.672,997 0.412,999 83.458,1000 92.399,1001 0.264,1002 0.676,1003 0.834,1004 0.897,1005 0.906,1006 0.91,1007 5.575,1008 2.213,1009 6.509,1010 7.205,1011 5.094,1012 5.649,1013 2.514,1014 7.378,1015 5.025,1016 6.817,1017 2.161,1018 8.107,1019 6.665,1020 4.796,1021 5.602,1022 1.305,1023 8.364,1024 4.707,1025 8.156,1026 2.043,1027 9.803,1028 6.506,1029 6.751,1030 7.916,1031 2.843,1032 11.509,1033 6.632,1034 9.53,1035 1.975,1036 11.554,1037 6.279,1038 7.259,1039 8.683,1040 2.41,1041 13.331,1042 7.125,1043 10.936,1044 1.778,1045 13.341,1046 6.134,1047 8.708,1048 10.497,1049 3.467,1050 16.008,1051 8.55,1052 12.365,1053 1.731,1054 15.155,1055 5.131,1056 9.58,1057 11.646,1058 3.463,1059 18.19,1060 9.407,1061 13.813,1062 1.674,1063 16.988,1064 5.09,1065 10.843,1066 13.265,1067 4.268,1068 20.712,1069 10.65,1070 3.381,1071 1.469,1072 18.837,1073 4.787,1074 11.882,1075 14.596,1076 4.498,1077 23.051,1078 11.673,1079 3.179,1080 12.166,1081 20.699,1082 3.9,1083 13.08,1084 16.138,1085 5.167,1086 25.524,1087 12.851,1088 3.052,1089 10.816,1090 22.571,1091 4.604,1092 14.194,1093 17.557,1094 5.523,1095 27.932,1096 13.948,1097 2.976,1098 10.514,1099 24.453,1100 4.427,1101 15.372,1102 19.069,1103 6.119,1104 30.394,1105 15.107,1106 2.662,1107 9.668,1108 26.342,1109 4.149,1110 16.521,1111 20.529,1112 6.542,1113 32.834,1114 16.238,1115 2.536,1116 8.153,1117 28.237,1118 3.801,1119 17.697,1120 22.032,1121 7.097,1122 35.298,1123 17.395,1124 2.43,1125 7.685,1126 30.138,1127 3.432,1128 18.864,1129 23.514,1130 7.557,1131 37.756,1132 18.543,1133 47057,1134 79666,1135 36.528,1136 55.358,1137 84.956,1138 87.603,1139 88.047,1140 84.027,1141 84.083,1142 109.959,1143 11.432,1144 254.455,1145 80.959,1146 5.748,1147 5.694,1148 6.865,1149 5.463,1150 5.381,1151 7.604,1152 2.912,1153 19.905,1154 5.308,1155 28.357,1156 1.545,1157 1.593,1158 1.601,1159 1.528,1160 1.529,1161 1.999,1162 0.208,1163 4.626,1164 1.472,1165 4.155,1166 4.17,1167 4.132,1168 4.057,1169 8.201,1170 4.072,1171 4.035,1172 4.059,1173 4.012,1174 3.935,1175 7.432,1176 3.95,1177 3.957,1178 3.985,1179 3.905,1180 3.866,1181 7.427,1182 3.87,1183 3.894,1184 3.934,1185 3.859,1186 3.754,1187 6.471,1188 3.773,1189 3.749,1190 3.801,1191 3.649,1192 3.532,1193 5.077,1194 3.551,1195 3.577,1196 3.605,1197 3.527,1198 3.424,1199 4.961,1200 3.441,1201 3.434,1202 3.47,1203 3.378,1204 3.211,1205 4.819,1206 3.249,1207 3.299,1208 3.338,1209 3.229,1210 3.088,1211 4.727,1212 3.118,1213 0.086,1214 0.067,1215 0.128,1216 0.079,1217 0.061,1218 4.748,1219 0.084,1220 3.694,1221 0.03,1222 7.063,1223 0.221,1224 4.359,1225 0.06,1226 3.381,1227 4.604,1228 1.656,1229 12.166,1230 3.308,1231 1.93,1232 1.909,1233 2.022,1234 2.048,1235 1.207,1236 2.039,1237 1.906,1238 1.885,1239 1.99,1240 2.007,1241 1.138,1242 2,1243 1.872,1244 1.861,1245 1.934,1246 1.963,1247 1.097,1248 1.952,1249 1.737,1250 1.711,1251 1.893,1252 1.909,1253 1.072,1254 1.907,1255 1.681,1256 1.625,1257 1.858,1258 1.876,1259 1.015,1260 1.868,1261 1.548,1262 1.507,1263 1.753,1264 1.798,1265 0.825,1266 1.783,1267 1.489,1268 1.428,1269 1.64,1270 1.673,1271 0.809,1272 1.658,1273 1.296,1274 1.26,1275 1.551,1276 1.601,1277 0.727,1278 1.545,1279 4.71,1281 6.075,1282 3.434,1283 7.625,1284 5.938,1285 9.258,1286 8.122,1287 10.936,1289 7.041,1291 15.232,1294 11.322,1295 2.111,1296 5.521,1297 10.649,1300 1.737,1305 54.176,1306 137.717,1307 352.377,1308 435.016,1309 467.545,1310 472.3,1311 474.3,1312 113.025,1313 9.899,1314 143.98,1315 143.98,1316 39,1317 13.397,1318 5,1319 4.209,1320 71.111,1321 317,1322 362,1323 0.107,1324 323.444,1325 572.91,1326 780.963,1327 388383,1328 1.2,1329 34.396,1330 0.702,1331 0.556,1332 33.526,1333 27.257,1334 23.605,1335 0.429,1336 0.284,1337 15.311,1338 22.416,1339 14.897,1340 12.285,1341 23.194,1342 15.608,1343 22.049,1344 0.272,1345 0.145,1346 21.51,1347 11.78,1348 19.469,1349 0.172,1350 0.077,1351 19.064,1352 8.697,1353 16.63,1354 0.107,1355 0.039,1356 16.201,1357 6.112,1358 13.426,1359 0.068,1360 0.021,1361 13.092,1362 4.067,1363 0.174,1364 150.025,1365 0.165,1366 42.673,1367 0.281,1368 272,1369 908.185,1370 305.205,1371 837.105,1372 1144.48,1373 784,1374 330,1375 851.046,1376 364.022,1377 850.108,1378 1256.42,1379 799,1380 9.301}
{0 CHEMBL1082621,1 1.648,2 19.16,3 5.028,4 25.281,5 189.938,6 7.725,7 0.491,8 4.584,9 4.699,10 4.175,11 4.082,12 5.755,13 4.084,14 5.108,15 5.287,16 4.566,17 4.468,18 6.246,19 4.468,20 5.287,21 5.446,22 4.665,23 4.629,24 6.511,25 4.61,26 5.481,27 5.686,28 4.664,29 4.689,30 6.639,31 4.639,32 5.462,33 5.675,34 4.672,35 4.67,36 6.62,37 4.63,38 5.474,39 5.674,40 4.675,41 4.712,42 6.622,43 4.661,44 5.497,45 5.699,46 4.747,47 4.692,48 6.747,49 4.654,50 5.448,51 5.632,52 4.669,53 4.647,54 6.751,55 4.61,56 0.152,57 1.379,58 17.028,59 7.72,60 16.156,61 9.637,62 0.612,63 2.164,64 33.717,65 12.079,66 43.247,67 15.985,68 0.731,69 2.598,70 39.236,71 14.938,72 72.175,73 18.834,74 0.943,75 2.875,76 52.434,77 18.716,78 111.06,79 24.743,80 1.034,81 2.81,82 52.329,83 17.831,84 109.772,85 23.87,86 0.853,87 2.921,88 51.752,89 19.546,90 104.553,91 25.187,92 1.416,93 2.94,94 54.298,95 19.141,96 148.191,97 25.433,98 1.432,99 2.856,100 50.913,101 18.18,102 165.409,103 22.629,104 130,105 81,106 0.243,107 0.609,108 0.76,109 0.851,110 0.859,111 0.862,112 3.934,113 0.866,114 -2.99,115 -3,116 -2.89,119 42,120 2,124 5,125 2,135 1,136 1,142 9,143 4,144 6,146 1,152 3,157 1,158 1,159 1,166 1,172 9,174 1,175 14,178 2,179 1,180 5,183 12,186 1,187 13,190 1,192 6,195 9,198 2,199 14,204 7,207 8,211 3,212 12,215 1,216 1,217 6,220 10,224 7,227 3,229 4,232 11,236 4,237 9,240 2,241 1,242 1,245 15,249 4,250 7,253 5,255 5,258 11,263 9,266 2,268 5,271 8,275 6238,276 32.988,277 32.988,278 32.988,279 32.988,280 32.988,281 29.078,282 41.682,283 18.744,284 33.699,285 27.002,286 27.002,287 27.002,288 27.002,289 27.002,290 20.818,291 56.312,292 8.84,293 28.027,294 4.812,295 2.325,296 1.302,297 0.682,298 0.628,299 0.606,300 4.635,306 2076,307 5.148,310 372.138,311 489.385,314 459.267,318 3.147,319 64.567,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.61,330 110,331 958,332 4.748,333 3.678,334 7.063,335 4.359,336 3.381,337 4.604,338 1.656,339 12.166,340 3.308,341 4.62,342 3.563,343 6.701,344 4.165,345 3.179,346 4.427,347 1.2,348 10.816,349 3.132,350 4.435,351 3.553,352 6.631,353 4.021,354 3.052,355 4.149,356 0.86,357 10.514,358 2.956,359 4.254,360 3.255,361 6.332,362 3.935,363 2.947,364 3.798,365 0.8,366 9.392,367 2.909,368 3.969,369 3.234,370 5.925,371 3.62,372 2.655,373 3.432,374 0.6,375 8.153,376 2.552,377 3.9,378 2.818,379 5.626,380 3.495,381 2.533,382 3.263,383 0.293,384 7.673,385 2.432,386 3.766,387 2.641,388 5.505,389 3.383,390 2.42,391 3.157,392 0.247,393 7.173,394 2.324,395 3.552,396 2.617,397 5.396,398 3.182,399 2.241,400 2.861,402 6.642,403 2.115,404 3.463,405 2.567,406 5.267,407 3.12,408 2.186,409 2.746,411 6.482,412 2.036,413 3.36,414 2.482,415 5.263,416 3.053,417 2.091,418 2.605,420 6.239,421 1.988,422 3.305,423 2.23,424 5.04,425 2.958,426 1.998,427 2.545,428 5.816,429 1.911,430 3.227,431 2.135,432 4.951,433 2.867,434 1.907,435 2.356,436 5.141,437 1.827,438 3.11,439 2.063,440 4.822,441 2.717,442 1.734,443 2.288,445 5.099,446 1.691,447 3.1,448 2.007,449 4.633,450 2.694,451 1.73,452 2.279,454 4.985,455 1.662,456 3.028,457 1.859,458 4.569,459 2.652,460 1.665,461 2.096,463 4.712,464 1.636,465 23.252,466 0.465,467 1.593,468 0.032,469 65.75,470 1.315,471 32.5,472 0.65,473 33.25,474 0.665,475 50.504,476 1.01,477 54.148,478 0.615,479 66.477,480 1.33,481 13.514,482 0.27,483 10.323,484 0.206,485 0.206,487 0.439,491 1,493 0.767,494 1.281,495 0.748,496 1.124,497 0.647,498 0.964,499 0.861,500 0.922,501 0.696,502 0.749,503 0.557,504 0.682,505 1.053,506 1.107,507 1.006,508 1.075,509 0.935,510 1.029,511 0.984,512 1.078,513 0.962,514 1.064,515 1.044,516 1.02,517 0.992,518 0.943,519 0.9,520 0.902,521 1.076,522 0.879,523 1.038,524 1.107,525 0.961,526 1.084,527 1.107,528 1.025,529 0.832,530 1.006,531 0.827,532 0.985,533 0.978,534 0.925,535 1.201,536 1.135,537 1.096,538 1.087,539 1.116,540 1.077,541 12,542 0.389,543 6.444,544 5.382,545 3.255,546 2.185,547 1.778,548 1.261,549 1.03,550 0.593,551 51828,552 141747,553 2.036,554 43.2,556 29,559 3,560 6,564 1.849,565 1.852,566 4.075,567 0.68,573 144.998,574 1.648,575 4.134,576 5.158,577 5.777,578 5.831,579 5.854,580 3.534,581 5.484,582 5.61,583 4.392,584 5379.98,585 9.963,586 114263,591 568.43,592 1.537,593 5.546,594 0.218,595 0.007,596 0.08,597 0.063,598 0.039,599 0.026,600 0.021,601 0.014,602 0.013,603 0.009,604 0.489,605 0.33,606 0.63,607 1.231,608 305.296,609 -0.04,610 -0.156,611 0.049,612 -0.069,613 -0.078,614 -0.007,615 0.002,616 0.137,617 0.207,618 0.236,619 0.071,620 0.266,621 -0.075,622 -0.002,623 -0.109,624 -0.067,625 -0.022,626 -0.085,627 -0.028,628 -0.098,629 -0.002,630 -0.067,631 -0.02,632 -0.036,633 -0.013,634 0.044,635 0.073,636 0.079,637 -0.035,638 0.096,639 -0.046,640 -0.058,641 -0.003,642 -0.056,643 -0.064,644 -0.026,645 0.245,646 0.003,647 0.158,648 0.019,649 0.127,650 0.059,651 0.085,652 0.011,653 -0.103,654 -0.076,655 0.092,656 -0.121,657 2.213,658 7.241,659 0.58,660 80.611,661 1.011,662 1.131,663 1.763,664 3.109,665 0.664,666 4.025,667 4.407,668 4.71,669 5.011,670 5.252,671 5.421,672 5.656,673 5.849,674 5.976,675 6.125,676 11.076,677 0.642,678 679.82,679 4.025,680 5.609,681 6.485,682 7.392,683 8.288,684 9.202,685 10.11,686 11.029,687 11.944,688 12.867,689 8,692 1,696 3,697 1,698 1,699 1,703 2,704 9,705 1,707 1,709 12,710 1,711 27,714 1,719 1,728 1,729 1,730 1,731 88,733 31,734 3,735 55,737 93,738 37,739 23,740 9,741 9,742 4,746 6,747 8,751 1,752 2,761 28,762 9,766 4,771 2,773 1,774 1,775 4,779 1,780 1,781 38,782 12,783 3,784 13,790 7,794 0.667,795 5,803 1,811 3,812 3,815 2,831 1,832 1,836 1,840 4,844 7,846 1,848 50,853 1,854 2,855 2,856 1,859 2,869 1,870 5.7,872 1,873 2,875 2,877 27,878 18.343,879 10.778,880 4.938,881 6.202,882 1.638,883 0.982,884 9.961,885 15.929,886 4.297,887 4.959,888 5.589,889 6.223,890 6.765,891 7.186,892 7.713,893 8.227,894 8.642,895 9.127,896 1,897 86,898 18.604,900 8.085,901 7.88,902 34.724,904 28.286,905 2.38,906 119,910 411.989,911 226.579,912 77.495,914 113.48,915 14.96,917 226.579,918 525.469,919 92.455,920 62.119,921 43.357,922 94.762,923 117.098,924 82.9,925 32.278,926 411.989,928 411.989,929 304.074,930 128.441,933 426.949,934 113.48,937 85.451,938 192.484,939 26.139,941 426.949,942 190.976,943 226.579,946 411.989,947 69.697,948 164.907,949 36.022,950 161.889,951 411.989,952 205.936,953 226.579,955 0.597,956 0.352,957 0.187,958 0.103,959 39,960 21,961 0.097,962 9,963 2,964 1.138,965 5.558,966 555.139,967 0.138,968 29,969 276.193,974 35.048,975 14.211,976 7.119,977 0.733,978 204.159,979 14.487,980 4.517,982 6.053,984 4.072,985 1.734,986 78.705,987 844.503,988 72.5,993 25.594,995 1.624,996 4.675,997 0.388,999 88.999,1000 99.518,1001 0.255,1002 0.64,1003 0.798,1004 0.894,1005 0.903,1006 0.906,1007 5.575,1008 2.241,1009 6.509,1010 7.173,1011 5.094,1012 5.649,1013 2.471,1014 7.375,1015 5.028,1016 6.823,1017 2.186,1018 8.109,1019 6.642,1020 4.844,1021 5.624,1022 1.404,1023 8.364,1024 4.746,1025 8.163,1026 2.091,1027 9.805,1028 6.482,1029 6.751,1030 7.916,1031 2.806,1032 11.497,1033 6.635,1034 9.537,1035 1.998,1036 11.554,1037 6.239,1038 7.28,1039 8.688,1040 2.438,1041 13.314,1042 7.139,1043 10.941,1044 1.907,1045 13.339,1046 5.816,1047 8.704,1048 10.497,1049 3.45,1050 15.99,1051 8.548,1052 12.369,1053 1.734,1054 15.15,1055 5.141,1056 9.584,1057 11.646,1058 3.469,1059 18.171,1060 9.409,1061 13.815,1062 1.73,1063 16.981,1064 5.099,1065 10.835,1066 13.264,1067 4.262,1068 20.694,1069 10.645,1070 3.381,1071 1.665,1072 18.828,1073 4.985,1074 11.877,1075 14.596,1076 4.499,1077 23.034,1078 11.669,1079 3.179,1080 12.166,1081 20.688,1082 4.712,1083 13.069,1084 16.137,1085 5.165,1086 25.509,1087 12.845,1088 3.052,1089 10.816,1090 22.559,1091 4.604,1092 14.185,1093 17.556,1094 5.523,1095 27.918,1096 13.942,1097 2.947,1098 10.514,1099 24.439,1100 4.427,1101 15.361,1102 19.068,1103 6.118,1104 30.381,1105 15.1,1106 2.655,1107 9.392,1108 26.328,1109 4.149,1110 16.51,1111 20.529,1112 6.542,1113 32.823,1114 16.231,1115 2.533,1116 8.153,1117 28.223,1118 3.798,1119 17.685,1120 22.032,1121 7.097,1122 35.288,1123 17.388,1124 2.42,1125 7.673,1126 30.124,1127 3.432,1128 18.853,1129 23.514,1130 7.557,1131 37.747,1132 18.536,1133 49164,1134 81669,1135 35.548,1136 58.432,1137 84.794,1138 87.185,1139 88.932,1140 83.847,1141 83.845,1142 109.708,1143 11.312,1144 253.812,1145 80.877,1146 5.649,1147 5.678,1148 6.598,1149 5.411,1150 5.381,1151 7.604,1152 2.912,1153 19.905,1154 5.308,1155 34.43,1156 1.542,1157 1.585,1158 1.617,1159 1.524,1160 1.524,1161 1.995,1162 0.206,1163 4.615,1164 1.47,1165 4.155,1166 4.17,1167 4.132,1168 4.057,1169 8.201,1170 4.072,1171 4.035,1172 4.059,1173 4.012,1174 3.935,1175 7.432,1176 3.95,1177 3.95,1178 3.979,1179 3.899,1180 3.864,1181 7.427,1182 3.867,1183 3.894,1184 3.934,1185 3.859,1186 3.754,1187 6.471,1188 3.773,1189 3.714,1190 3.793,1191 3.602,1192 3.495,1193 5.077,1194 3.507,1195 3.584,1196 3.62,1197 3.526,1198 3.425,1199 4.961,1200 3.442,1201 3.477,1202 3.543,1203 3.393,1204 3.241,1205 4.819,1206 3.274,1207 3.406,1208 3.455,1209 3.312,1210 3.179,1211 4.724,1212 3.202,1213 0.086,1214 0.067,1215 0.128,1216 0.079,1217 0.061,1218 4.748,1219 0.084,1220 3.678,1221 0.03,1222 7.063,1223 0.221,1224 4.359,1225 0.06,1226 3.381,1227 4.604,1228 1.656,1229 12.166,1230 3.308,1231 1.929,1232 1.909,1233 2.019,1234 2.042,1235 1.167,1236 2.034,1237 1.904,1238 1.882,1239 1.99,1240 2,1241 1.138,1242 1.996,1243 1.872,1244 1.861,1245 1.934,1246 1.963,1247 1.097,1248 1.952,1249 1.737,1250 1.711,1251 1.903,1252 1.901,1253 1.076,1254 1.908,1255 1.66,1256 1.581,1257 1.858,1258 1.876,1259 1.015,1260 1.868,1261 1.548,1262 1.507,1263 1.753,1264 1.798,1265 0.809,1266 1.783,1267 1.489,1268 1.428,1269 1.698,1270 1.702,1271 0.78,1272 1.699,1273 1.413,1274 1.337,1275 1.64,1276 1.672,1277 0.727,1278 1.658,1279 4.71,1281 6.075,1282 3.434,1283 7.616,1284 5.938,1285 9.24,1286 8.122,1287 10.912,1289 12.692,1291 15.241,1294 11.332,1295 1.337,1296 5.527,1297 5.34,1300 3.655,1305 56.536,1306 144.998,1307 363.83,1308 453.862,1309 508.391,1310 513.146,1311 515.146,1312 127.26,1313 9.728,1314 137.99,1315 137.99,1316 33,1317 13.375,1318 5,1319 4.209,1320 80.898,1321 334,1322 396,1323 0.116,1324 343.228,1325 604.78,1326 829.236,1327 309986,1328 1.1,1329 35.852,1330 0.717,1331 0.578,1332 34.982,1333 28.882,1334 23.837,1335 0.433,1336 0.289,1337 15.569,1338 22.666,1339 14.963,1340 12.513,1341 23.426,1342 15.872,1343 22.599,1344 0.279,1345 0.153,1346 22.06,1347 12.406,1348 19.172,1349 0.174,1350 0.078,1351 18.768,1352 8.628,1353 15.909,1354 0.107,1355 0.039,1356 15.48,1357 5.835,1358 12.873,1359 0.068,1360 0.021,1361 12.539,1362 3.948,1363 0.189,1364 151.283,1365 0.168,1366 43.411,1367 0.302,1368 272,1369 884.094,1370 303.409,1371 823.324,1372 1122.6,1373 768,1374 327,1375 835.466,1376 359.78,1377 842.444,1378 1235.6,1379 786,1380 9.699}
{0 CHEMBL1082622,1 1.591,2 18.341,3 3.811,4 14.521,5 154.993,6 7.881,7 0.478,8 4.371,9 4.477,10 3.986,11 3.896,12 5.529,13 3.903,14 4.894,15 5.049,16 4.365,17 4.295,18 6.031,19 4.289,20 5.121,21 5.291,22 4.419,23 4.436,24 6.267,25 4.4,26 5.228,27 5.434,28 4.33,29 4.413,30 6.346,31 4.35,32 5.151,33 5.368,34 4.291,35 4.299,36 6.316,37 4.252,38 5.016,39 5.202,40 4.235,41 4.275,42 6.171,43 4.226,44 5.014,45 5.214,46 4.201,47 4.239,48 6.222,49 4.18,50 4.929,51 5.132,52 4.119,53 4.155,54 6.133,55 4.097,56 0.108,57 1.03,58 13.009,59 6.099,60 13.42,61 7.338,62 0.481,63 1.67,64 25.357,65 9.863,66 32.809,67 12.394,68 0.579,69 1.994,70 33.255,71 12.932,72 55.091,73 16.198,74 0.619,75 2.073,76 40.699,77 15.043,78 84.247,79 19.388,80 0.867,81 1.881,82 39.494,83 13.465,84 97.426,85 17.627,86 0.568,87 1.711,88 31.661,89 12.24,90 65.919,91 15.493,92 0.807,93 1.701,94 32.514,95 11.963,96 91.933,97 15.766,98 0.7,99 1.581,100 29.801,101 10.873,102 83.578,103 14.366,104 27,105 66,106 0.245,107 0.615,108 0.76,109 0.847,110 0.857,111 0.862,112 3.741,113 0.863,114 -2.58,115 -2.6,116 -2.53,119 44.3,124 2,125 4,135 1,136 1,142 10,143 3,144 5,152 2,154 1,158 1,159 1,172 10,174 1,175 10,178 2,179 1,180 5,183 10,186 1,187 12,190 1,192 6,195 9,199 10,204 7,207 5,211 3,212 7,215 1,216 1,217 6,220 5,224 5,227 3,229 3,232 8,236 2,237 5,240 2,241 1,242 2,245 12,249 2,250 3,253 3,255 3,258 10,263 5,266 2,268 4,271 5,275 3721,276 27.867,277 27.867,278 27.867,279 27.867,280 27.867,281 24.765,282 35.608,283 16.057,284 28.431,285 22.626,286 22.626,287 22.626,288 22.626,289 22.626,290 17.641,291 46.724,292 7.592,293 23.409,294 4.538,295 2.136,296 1.193,297 0.632,298 0.564,299 0.536,300 4.454,305 1,306 1672,307 4.062,310 208.371,311 559.516,314 381.381,318 2.984,319 45.497,322 0.75,323 0.5,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.7,330 89.5,331 752,332 4.648,333 3.695,334 6.708,335 4.196,336 3.209,337 4.599,338 1.656,339 10.859,340 3.167,341 4.46,342 3.563,343 6.541,344 4.053,345 3.069,346 4.127,347 1.2,348 10.339,349 3.02,350 4.266,351 3.285,352 6.393,353 3.965,354 2.984,355 3.801,356 0.86,357 9.676,358 2.928,359 3.953,360 3.179,361 5.65,362 3.626,363 2.664,364 3.367,365 0.8,366 7.741,367 2.555,368 3.829,369 2.773,370 5.526,371 3.455,372 2.492,373 3.205,374 0.6,375 7.319,376 2.402,377 3.71,378 2.72,379 5.34,380 3.331,381 2.378,382 3.084,383 0.293,384 6.821,385 2.261,386 3.543,387 2.58,388 5.269,389 3.266,390 2.319,391 2.823,392 0.247,393 6.584,394 2.189,395 3.433,396 2.49,397 5.197,398 3.095,399 2.123,400 2.591,402 6.396,403 2.051,404 3.304,405 2.159,406 5.071,407 2.908,408 1.946,409 2.556,411 5.722,412 1.868,413 3.252,414 2.119,415 4.915,416 2.825,417 1.857,418 2.431,420 5.602,421 1.793,422 3.041,423 1.989,424 4.782,425 2.719,426 1.735,427 2.199,428 5.03,429 1.69,430 2.999,431 1.863,432 4.586,433 2.59,434 1.596,435 2.103,436 4.701,437 1.583,438 2.789,439 1.666,440 4.13,441 2.21,442 1.241,443 1.801,445 3.394,446 1.201,447 2.5,448 1.634,449 3.677,450 2,451 1,452 1.5,454 2.275,455 1,456 2.398,457 1.146,458 3.542,459 1.967,460 1,461 1.204,463 2.275,464 0.965,465 19.167,466 0.467,467 1.057,468 0.026,469 56.25,470 1.372,471 28.5,472 0.695,473 27.75,474 0.677,475 33.726,476 0.823,477 43.233,478 0.618,479 49.271,480 1.202,481 11.439,482 0.279,483 8.433,484 0.206,485 0.104,487 0.381,493 0.848,494 1.322,495 0.737,496 1.056,497 0.673,498 0.901,499 0.899,500 0.974,501 0.817,502 0.854,503 0.571,504 0.812,505 1.022,506 1.072,507 1.023,508 1.065,509 0.867,510 1.038,511 1.121,512 1.11,513 1.035,514 1.102,515 1.232,516 1.064,517 1.107,518 0.866,519 0.91,520 0.86,521 1.412,522 0.852,523 1.045,524 1.034,525 0.982,526 1.046,527 1.114,528 1.018,529 0.791,530 1.005,531 0.943,532 0.999,533 0.942,534 1,535 0.803,536 0.968,537 0.943,538 0.981,539 0.745,540 0.985,541 9,542 0.225,543 4.889,544 3.431,545 2.146,546 1.459,547 1.018,548 0.656,549 0.476,550 0.388,551 34564,552 90984,553 2.132,554 41.4,556 25,558 1,559 3,564 1.799,565 2,566 4.11,567 0.74,573 111.369,574 1.591,575 3.993,576 4.937,577 5.497,578 5.565,579 5.593,580 3.584,581 4.998,582 5.327,583 4.312,584 3535.83,585 9.371,586 66807.8,591 429.05,592 1.395,593 5.292,594 0.196,595 0.006,596 0.074,597 0.051,598 0.036,599 0.026,600 0.019,601 0.013,602 0.01,603 0.009,604 0.439,605 0.33,606 0.75,607 0.632,608 239.058,609 -0.078,610 -0.171,611 0.047,612 -0.045,613 -0.073,614 0.013,615 0.003,616 0.15,617 0.061,618 0.116,619 0.058,620 0.106,621 -0.07,622 -0.017,623 -0.108,624 -0.082,625 -0.001,626 -0.092,627 -0.112,628 -0.148,629 -0.045,630 -0.107,631 -0.073,632 -0.07,633 0.027,634 0.092,635 0.123,636 0.116,637 -0.054,638 0.133,639 -0.034,640 -0.048,641 -0.024,642 -0.044,643 -0.046,644 -0.039,645 0.191,646 -0.017,647 0.034,648 -0.008,649 0.116,650 -0.015,651 0.155,652 0.035,653 0.031,654 0.002,655 0.177,656 -0.005,657 2.124,658 5.759,659 0.732,660 62.848,661 1.011,662 1.122,663 1.345,664 1.81,665 0.678,666 3.85,667 4.205,668 4.5,669 4.771,670 5.004,671 5.1,672 5.268,673 5.412,674 5.468,675 5.62,676 10.341,677 0.657,678 551.65,679 3.85,680 5.416,681 6.282,682 7.171,683 8.051,684 8.943,685 9.829,686 10.723,687 11.613,688 12.509,689 7.1,692 1,696 3,698 1,703 2,704 10,707 1,709 8,711 22,719 1,728 1,729 1,731 70,733 26,734 3,735 46,737 75,738 31,739 20,740 8,741 10,742 4,746 6,747 8,751 1,761 25,762 6,766 4,771 2,773 2,774 1,775 3,780 1,781 29,782 10,783 3,784 10,790 5,794 0.667,795 5,811 2,812 4,815 2,823 1,831 1,832 1,836 1,840 4,844 2,848 41,853 1,854 4,855 2,856 1,859 2,870 7.1,872 1,873 2,875 2,877 20.5,878 13.217,879 8.861,880 4.011,881 5.291,882 1.572,883 1.004,884 7.537,885 14.534,886 4.127,887 4.747,888 5.362,889 5.969,890 6.528,891 6.896,892 7.379,893 7.842,894 8.16,895 8.627,896 1,897 67,898 15.205,900 6.637,901 7.809,902 28.725,904 23.843,905 2.309,906 94.667,910 306.049,911 185.897,912 59.056,914 113.48,917 185.897,918 419.529,919 59.056,920 19.279,921 47.569,922 104.239,923 118.496,924 66.06,925 14.561,926 294.278,928 306.049,929 244.953,930 113.48,933 306.049,934 113.48,937 67.478,938 158.951,939 18.524,941 306.049,942 172.536,943 185.897,946 306.049,947 53.332,948 138.814,949 36.022,950 130.266,951 306.049,952 172.536,953 185.897,955 0.59,956 0.349,957 0.185,958 0.102,959 33,960 15,961 0.067,962 5,963 2,964 1.133,965 5.208,966 411.531,967 0.133,968 30,969 211.66,974 27.085,975 11.41,976 5.722,977 0.934,978 172.536,979 17.449,982 5.887,984 4.239,986 78.705,987 664.482,988 61,993 25.441,995 3.435,996 4.407,997 0.31,999 70.749,1000 78.521,1001 0.26,1002 0.651,1003 0.805,1004 0.897,1005 0.908,1006 0.913,1007 5.387,1008 2.123,1009 6.279,1010 6.584,1011 4.89,1012 5.436,1013 2.471,1014 7.101,1015 4.831,1016 6.606,1017 1.946,1018 7.847,1019 6.396,1020 4.511,1021 5.286,1022 1.404,1023 7.993,1024 4.429,1025 7.923,1026 1.857,1027 9.508,1028 5.722,1029 6.506,1030 7.655,1031 2.806,1032 11.09,1033 6.399,1034 9.274,1035 1.735,1036 11.225,1037 5.602,1038 6.929,1039 8.334,1040 2.438,1041 12.804,1042 6.806,1043 10.656,1044 1.596,1045 12.976,1046 5.03,1047 8.395,1048 10.188,1049 3.45,1050 15.421,1051 8.253,1052 12.061,1053 1.241,1054 14.753,1055 4.701,1056 9.189,1057 11.273,1058 3.469,1059 17.496,1060 9.037,1061 13.485,1062 1,1063 16.55,1064 3.394,1065 10.447,1066 12.916,1067 4.262,1068 19.945,1069 10.28,1070 3.209,1071 1,1072 18.361,1073 2.275,1074 11.42,1075 14.209,1076 4.499,1077 22.18,1078 11.244,1079 3.069,1080 10.859,1081 20.186,1082 2.275,1083 12.596,1084 15.763,1085 5.165,1086 24.567,1087 12.407,1088 2.984,1089 10.339,1090 22.02,1091 4.599,1092 13.654,1093 17.162,1094 5.523,1095 26.871,1096 13.456,1097 2.664,1098 9.676,1099 23.864,1100 4.127,1101 14.8,1102 18.681,1103 6.118,1104 29.239,1105 14.59,1106 2.492,1107 7.741,1108 25.714,1109 3.801,1110 15.899,1111 20.134,1112 6.542,1113 31.573,1114 15.679,1115 2.378,1116 7.319,1117 27.571,1118 3.367,1119 17.036,1120 21.642,1121 7.097,1122 33.935,1123 16.804,1124 2.319,1125 6.821,1126 29.433,1127 3.205,1128 18.155,1129 23.122,1130 7.557,1131 36.284,1132 17.913,1133 31681,1134 51674,1135 31.035,1136 47.438,1137 70.43,1138 72.272,1139 71.964,1140 69.361,1141 69.419,1142 90.661,1143 11.312,1144 203.92,1145 67.276,1146 5.648,1147 5.695,1148 6.257,1149 5.264,1150 5.209,1151 7.599,1152 2.912,1153 17.975,1154 5.167,1155 20.45,1156 1.531,1157 1.571,1158 1.564,1159 1.508,1160 1.509,1161 1.971,1162 0.246,1163 4.433,1164 1.463,1165 4.135,1166 4.142,1167 4.109,1168 4.038,1169 7.432,1170 4.052,1171 3.979,1172 3.998,1173 3.944,1174 3.904,1175 7.427,1176 3.911,1177 3.962,1178 3.997,1179 3.908,1180 3.868,1181 6.471,1182 3.872,1183 3.794,1184 3.861,1185 3.688,1186 3.599,1187 5.077,1188 3.611,1189 3.582,1190 3.612,1191 3.531,1192 3.438,1193 4.941,1194 3.45,1195 3.454,1196 3.491,1197 3.391,1198 3.232,1199 4.724,1200 3.27,1201 3.331,1202 3.383,1203 3.256,1204 3.115,1205 4.639,1206 3.145,1207 3.231,1208 3.292,1209 3.133,1210 2.971,1211 4.421,1212 3.001,1213 0.101,1214 0.08,1215 0.146,1216 0.091,1217 0.07,1218 4.648,1219 0.1,1220 3.695,1221 0.036,1222 6.708,1223 0.236,1224 4.196,1225 0.069,1226 3.209,1227 4.599,1228 1.656,1229 10.859,1230 3.167,1231 1.931,1232 1.91,1233 2.031,1234 2.059,1235 1.287,1236 2.051,1237 1.907,1238 1.886,1239 1.994,1240 2.015,1241 1.136,1242 2.008,1243 1.878,1244 1.863,1245 1.96,1246 1.961,1247 1.097,1248 1.961,1249 1.748,1250 1.677,1251 1.949,1252 1.944,1253 1.082,1254 1.95,1255 1.606,1256 1.59,1257 1.7,1258 1.756,1259 0.825,1260 1.734,1261 1.317,1262 1.275,1263 1.564,1264 1.619,1265 0.772,1266 1.572,1267 1.231,1268 1.2,1269 1.554,1270 1.516,1271 0.651,1272 1.528,1273 1.195,1274 1.125,1275 1.513,1276 1.492,1277 0.571,1278 1.492,1279 4.533,1281 5.878,1282 3.045,1283 7.407,1284 5.476,1285 9.015,1286 7.618,1287 10.667,1289 3.647,1294 10.901,1295 3.104,1296 5.553,1297 5.321,1300 4.038,1305 46.003,1306 111.369,1307 279.508,1308 345.566,1309 384.785,1310 389.54,1311 391.54,1312 78.393,1313 9.243,1314 120.17,1315 120.17,1316 34,1317 13.035,1318 4.755,1319 4,1320 59.968,1321 257,1322 267,1323 0.111,1324 276.742,1325 489.09,1326 667.01,1327 184049,1329 28.509,1330 0.695,1331 0.553,1332 28.509,1333 22.678,1334 19.873,1335 0.432,1336 0.288,1337 13.007,1338 18.995,1339 12.702,1340 10.497,1341 19.873,1342 13.233,1343 18.279,1344 0.277,1345 0.152,1346 18.279,1347 10.019,1348 15.945,1349 0.179,1350 0.082,1351 15.945,1352 7.27,1353 13.144,1354 0.112,1355 0.042,1356 13.144,1357 4.912,1358 10.75,1359 0.073,1360 0.023,1361 10.75,1362 3.394,1363 0.182,1364 125.442,1365 0.18,1366 37.607,1367 0.282,1368 224,1369 680.693,1370 247.776,1371 651.464,1372 893.83,1373 610,1374 267,1375 663.671,1376 291.445,1377 671.455,1378 985.3,1379 630,1380 9.046}
{0 CHEMBL1082986,1 1.606,2 14.275,3 4.119,4 16.968,5 151.171,6 8.1,7 0.6,8 4.32,9 4.425,10 3.959,11 3.859,12 5.517,13 3.868,14 4.811,15 4.959,16 4.35,17 4.241,18 5.984,19 4.246,20 4.976,21 5.126,22 4.405,23 4.359,24 6.176,25 4.35,26 5.098,27 5.273,28 4.376,29 4.411,30 6.227,31 4.368,32 5.124,33 5.313,34 4.422,35 4.4,36 6.303,37 4.366,38 5.161,39 5.356,40 4.431,41 4.443,42 6.271,43 4.405,44 5.138,45 5.298,46 4.481,47 4.452,48 6.375,49 4.418,50 5.2,51 5.389,52 4.402,53 4.428,54 6.335,55 4.378,56 0.127,57 0.992,58 11.54,59 5.591,60 12.631,61 6.517,62 0.379,63 1.561,64 22.11,65 9.061,66 31.366,67 11.126,68 0.55,69 1.818,70 26.298,71 10.23,72 48.723,73 12.048,74 0.483,75 1.994,76 31.195,77 12.517,78 47.088,79 15.449,80 0.702,81 1.984,82 34.08,83 12.929,84 73.273,85 16.464,86 0.563,87 2.025,88 36.161,89 13.991,90 63.38,91 17.75,92 0.834,93 2.006,94 32.43,95 13.21,96 80.381,97 16.39,98 0.844,99 2.037,100 37.96,101 14.52,102 75.002,103 18.13,104 38,105 66,106 0.249,107 0.657,108 0.803,109 0.883,110 0.892,111 0.892,112 3.718,113 0.837,114 -2.72,115 -2.74,116 -2.66,119 45.5,120 2,124 2,135 1,136 1,142 8,143 3,144 5,145 2,146 1,152 3,157 1,159 1,166 1,172 7,175 14,178 2,179 1,180 4,183 9,187 11,190 2,192 5,195 9,198 2,199 9,204 5,207 10,211 3,212 10,215 2,216 1,217 5,220 10,224 7,227 1,229 3,232 11,236 4,237 9,240 2,241 1,242 2,245 12,249 2,250 9,253 3,255 5,258 9,263 8,266 1,268 4,271 7,275 3304,276 27.057,277 27.057,278 27.057,279 27.057,280 27.057,281 23.239,282 32.28,283 15.556,284 27.579,285 22.15,286 22.15,287 22.15,288 22.15,289 22.15,290 16.284,291 46.192,292 7.366,293 22.897,294 4.438,295 1.804,296 0.864,297 0.349,298 0.288,299 0.288,300 4.428,305 1,306 1262,307 3.808,310 266.329,311 358.815,314 326.937,318 2.348,319 40.383,322 0.75,323 0.5,324 0.83,325 0.5,327 0.83,328 1,329 0.63,330 87,331 571,332 4.728,333 3.564,334 7.037,335 4.34,336 3.359,337 4.603,338 1.656,339 12.062,340 3.295,341 4.617,342 3.507,343 6.7,344 4.164,345 3.178,346 4.396,347 0.86,348 10.814,349 3.131,350 4.386,351 3.255,352 6.541,353 3.973,354 2.998,355 4.072,356 0.6,357 10.22,358 2.922,359 3.993,360 3.12,361 5.709,362 3.634,363 2.671,364 3.485,365 0.247,366 7.75,367 2.564,368 3.868,369 2.763,370 5.62,371 3.441,372 2.473,373 3.362,375 7.471,376 2.397,377 3.777,378 2.567,379 5.498,380 3.358,381 2.404,382 3.197,384 7.142,385 2.29,386 3.535,387 2.481,388 5.28,389 3.109,390 2.129,391 2.846,393 6.528,394 2.078,395 3.386,396 2.28,397 5.24,398 3.014,399 2.062,400 2.647,402 6.382,403 1.954,404 3.315,405 2.125,406 5.149,407 2.868,408 1.891,409 2.552,411 5.728,412 1.842,413 3.255,414 2.05,415 4.865,416 2.803,417 1.821,418 2.537,420 5.124,421 1.779,422 3.107,423 1.96,424 4.778,425 2.687,426 1.72,427 2.288,428 4.983,429 1.66,430 3.003,431 1.661,432 4.612,433 2.581,434 1.594,435 2.182,436 4.755,437 1.571,438 2.847,439 1.519,440 4.425,441 2.349,442 1.385,443 1.98,445 3.709,446 1.33,447 2.678,448 1.517,449 3.734,450 2.218,451 1.244,452 1.707,454 2.992,455 1.209,456 2.5,457 1.105,458 3.571,459 1.956,460 1,461 1.5,463 2.301,464 0.953,465 18.733,466 0.468,467 1.113,468 0.028,469 57.75,470 1.444,471 31,472 0.775,473 26.75,474 0.669,475 34.446,476 0.861,477 41.267,478 0.625,479 50.513,480 1.263,481 11.656,482 0.291,483 7.661,484 0.192,485 0.142,487 0.422,493 0.862,494 1.2,495 0.717,496 1.001,497 0.78,498 0.859,499 0.897,500 1.051,501 0.683,502 0.842,503 0.605,504 0.74,505 1.183,506 1.028,507 1.015,508 0.939,509 1.021,510 0.93,511 1.049,512 1.129,513 1.078,514 1.145,515 0.963,516 1.119,517 0.935,518 0.962,519 0.902,520 0.974,521 1.186,522 0.94,523 1.023,524 0.966,525 0.862,526 0.947,527 1.047,528 0.889,529 0.829,530 1.076,531 0.971,532 1.128,533 0.834,534 1.087,535 1.089,536 0.988,537 1.013,538 1.051,539 0.923,540 1.035,541 8.5,542 0.269,543 4.444,544 4.257,545 2.188,546 1.782,547 1.325,548 0.933,549 0.78,550 0.435,551 26832,552 74312,553 2.12,554 39.4,556 15,558 2,559 3,560 6,564 1.802,565 1.967,566 3.698,567 0.756,573 106.002,574 1.606,575 4.24,576 5.18,577 5.696,578 5.756,579 5.756,580 3.135,581 5.072,582 5.289,583 3.956,584 3085.42,585 9.35,586 52658.6,591 398.93,592 1.458,593 5.247,594 0.189,595 0.007,596 0.067,597 0.063,598 0.034,599 0.027,600 0.019,601 0.013,602 0.012,603 0.008,604 0.439,605 0.33,606 0.75,607 0.677,608 224.712,609 -0.055,610 -0.078,611 0.046,612 -0.022,613 -0.12,614 0.021,615 0.024,616 0.028,617 0.181,618 0.128,619 0.082,620 0.174,621 -0.138,622 0.062,623 -0.137,624 0.01,625 -0.081,626 -0.041,627 -0.117,628 -0.1,629 -0.163,630 -0.168,631 -0.057,632 -0.172,633 0.082,634 0.04,635 0.06,636 0.008,637 0.007,638 0.026,639 -0.047,640 -0.001,641 0.11,642 0.058,643 -0.009,644 0.107,645 0.23,646 -0.072,647 -0.048,648 -0.138,649 0.164,650 -0.142,651 0.052,652 -0.044,653 -0.019,654 -0.047,655 0.035,656 -0.05,657 2.1,658 5.459,659 0.725,660 50.91,661 1.011,662 1.121,663 1.493,664 2.23,665 0.689,666 3.829,667 4.205,668 4.533,669 4.86,670 5.1,671 5.252,672 5.497,673 5.71,674 5.841,675 5.989,676 8.375,677 0.671,678 534.62,679 3.829,680 5.407,681 6.29,682 7.2,683 8.101,684 9.019,685 9.931,686 10.853,687 11.772,688 12.698,689 9.1,696 2,697 1,698 1,699 2,703 2,704 10,705 2,707 1,709 10,710 1,711 27,714 1,728 1,729 1,731 66,733 30,734 2,735 45,737 71,738 30,739 22,740 6,741 6,742 3,746 6,747 8,751 1,752 2,761 26,762 4,766 3,771 1,773 1,774 1,775 3,780 1,781 26,782 9,783 3,784 10,790 6,794 0.667,795 4,803 1,805 1,811 3,812 3,815 2,831 1,832 1,840 4,844 4,848 40,853 1,855 2,856 1,870 6.1,872 1,873 1,875 2,877 20.333,878 13.417,879 8.611,880 3.714,881 5.967,882 1.653,883 1.012,884 6.66,885 15.1,886 4.135,887 4.816,888 5.468,889 6.124,890 6.667,891 7.062,892 7.611,893 8.149,894 8.57,895 9.055,896 1,897 68,898 14.758,900 6.407,901 7.775,902 27.785,904 22.871,905 2.275,906 91,910 270.735,911 188.785,912 88.032,914 88.336,917 188.785,918 359.071,919 88.032,920 36.93,921 36.022,922 85.286,923 127.576,924 85.564,925 17.318,926 247.193,928 270.735,929 276.818,930 88.336,933 270.735,934 88.336,937 93.086,938 140.807,939 42.925,941 270.735,942 176.368,943 188.785,946 270.735,947 48.474,948 142.087,949 36.022,950 138.57,951 270.735,952 176.368,953 188.785,955 0.592,956 0.356,957 0.197,958 0.107,959 34,960 16,961 0.07,962 5,963 2,964 1.138,965 4.864,966 425.283,967 0.138,968 29,969 212.877,974 25.865,975 10.3,976 4.799,977 0.931,978 174.591,979 17.395,980 8.561,982 6.068,984 6.335,985 1.825,986 78.705,987 635.888,988 61.5,993 12.459,995 1.785,996 4.932,997 1.078,999 66.756,1000 73.979,1001 0.266,1002 0.702,1003 0.857,1004 0.942,1005 0.952,1006 0.952,1007 5.397,1008 2.062,1009 6.301,1010 6.528,1011 4.89,1012 5.505,1013 2.079,1014 7.168,1015 4.831,1016 6.647,1017 1.891,1018 7.895,1019 6.382,1020 4.575,1021 5.421,1022 1.195,1023 8.146,1024 4.496,1025 7.985,1026 1.821,1027 9.586,1028 5.728,1029 6.541,1030 7.79,1031 2.529,1032 11.298,1033 6.435,1034 9.36,1035 1.72,1036 11.334,1037 5.124,1038 7.04,1039 8.527,1040 2.324,1041 13.129,1042 6.916,1043 10.766,1044 1.594,1045 13.119,1046 4.983,1047 8.496,1048 10.379,1049 3.278,1050 15.81,1051 8.352,1052 12.196,1053 1.385,1054 14.932,1055 4.755,1056 9.369,1057 11.511,1058 3.407,1059 18.008,1060 9.209,1061 13.646,1062 1.244,1063 16.766,1064 3.709,1065 10.638,1066 13.152,1067 4.165,1068 20.534,1069 10.46,1070 3.359,1071 1,1072 18.616,1073 2.992,1074 11.681,1075 14.478,1076 4.464,1077 22.883,1078 11.488,1079 3.178,1080 12.062,1081 20.481,1082 2.301,1083 12.883,1084 16.031,1085 5.114,1086 25.359,1087 12.673,1088 2.998,1089 10.814,1090 22.357,1091 4.603,1092 14.002,1093 17.45,1094 5.504,1095 27.773,1096 13.776,1097 2.671,1098 10.22,1099 24.242,1100 4.396,1101 15.184,1102 18.969,1103 6.092,1104 30.236,1105 14.942,1106 2.473,1107 7.75,1108 26.135,1109 4.072,1110 16.337,1111 20.431,1112 6.531,1113 32.677,1114 16.079,1115 2.404,1116 7.471,1117 28.035,1118 3.485,1119 17.516,1120 21.938,1121 7.084,1122 35.14,1123 17.241,1124 2.129,1125 7.142,1126 29.94,1127 3.362,1128 18.686,1129 23.422,1130 7.551,1131 37.596,1132 18.394,1133 24879,1134 41625,1135 30.054,1136 45.466,1137 69.526,1138 70.5,1139 71.588,1140 68.446,1141 68.509,1142 92.957,1143 6.726,1144 206.667,1145 66.335,1146 5.592,1147 5.564,1148 6.839,1149 5.384,1150 5.359,1151 7.603,1152 2.912,1153 19.753,1154 5.295,1155 21.209,1156 1.545,1157 1.567,1158 1.591,1159 1.521,1160 1.522,1161 2.066,1162 0.149,1163 4.593,1164 1.474,1165 4.15,1166 4.165,1167 4.126,1168 4.054,1169 7.431,1170 4.069,1171 4.033,1172 4.058,1173 4.006,1174 3.936,1175 6.471,1176 3.948,1177 3.891,1178 3.932,1179 3.847,1180 3.756,1181 5.084,1182 3.772,1183 3.871,1184 3.915,1185 3.815,1186 3.742,1187 4.978,1188 3.754,1189 3.569,1190 3.599,1191 3.519,1192 3.422,1193 4.905,1194 3.437,1195 3.424,1196 3.463,1197 3.364,1198 3.201,1199 4.852,1200 3.237,1201 3.27,1202 3.328,1203 3.194,1204 3.048,1205 4.59,1206 3.073,1207 3.228,1208 3.308,1209 3.01,1210 3.026,1211 4.422,1212 3.015,1213 0.105,1214 0.079,1215 0.156,1216 0.096,1217 0.075,1218 4.728,1219 0.102,1220 3.564,1221 0.037,1222 7.037,1223 0.268,1224 4.34,1225 0.073,1226 3.359,1227 4.603,1228 1.656,1229 12.062,1230 3.295,1231 1.922,1232 1.904,1233 1.997,1234 2.027,1235 1.139,1236 2.016,1237 1.879,1238 1.865,1239 1.961,1240 1.961,1241 1.104,1242 1.961,1243 1.818,1244 1.778,1245 1.931,1246 1.959,1247 1.02,1248 1.954,1249 1.739,1250 1.712,1251 1.86,1252 1.876,1253 0.945,1254 1.869,1255 1.549,1256 1.507,1257 1.753,1258 1.798,1259 0.81,1260 1.784,1261 1.489,1262 1.428,1263 1.644,1264 1.672,1265 0.733,1266 1.659,1267 1.269,1268 1.227,1269 1.56,1270 1.584,1271 0.584,1272 1.529,1273 1.196,1274 1.129,1275 1.528,1276 1.504,1277 0.57,1278 1.522,1279 4.511,1281 5.872,1282 3.434,1283 7.416,1284 5.938,1285 9.044,1286 8.116,1287 10.719,1289 7.458,1294 11.207,1296 5.491,1297 5.474,1305 44.256,1306 106.002,1307 279.857,1308 341.91,1309 375.91,1310 379.91,1311 379.91,1312 69.348,1313 9.133,1314 127.33,1315 127.33,1316 33,1317 13.204,1318 4.954,1319 4.129,1320 57.238,1321 199,1322 240,1323 0.138,1324 267.02,1325 460.46,1326 643.289,1327 142193,1329 27.966,1330 0.699,1331 0.558,1332 27.966,1333 22.312,1334 19.317,1335 0.429,1336 0.279,1337 12.346,1338 18.472,1339 11.946,1340 9.946,1341 19.317,1342 12.554,1343 17.976,1344 0.272,1345 0.143,1346 17.976,1347 9.418,1348 15.761,1349 0.171,1350 0.075,1351 15.761,1352 6.868,1353 13.629,1354 0.106,1355 0.038,1356 13.629,1357 4.857,1358 11.001,1359 0.067,1360 0.02,1361 11.001,1362 3.191,1363 0.218,1364 121.78,1365 0.182,1366 35.785,1367 0.377,1368 222,1369 670.602,1370 245.255,1371 647.727,1372 904.28,1373 608,1374 269,1375 692.736,1376 292.868,1377 700.496,1378 1028.5,1379 658,1380 9.301}
{0 CHEMBL1083192,1 1.825,2 12.303,3 1.243,4 1.546,5 128.17,6 8.317,7 0.432,8 4.212,9 4.326,10 4.024,11 3.729,12 5.233,13 3.694,14 4.809,15 4.99,16 4.35,17 4.14,18 5.995,19 4.089,20 5.022,21 5.219,22 4.37,23 4.288,24 6.037,25 4.201,26 5.081,27 5.304,28 4.303,29 4.32,30 6.076,31 4.195,32 5.065,33 5.302,34 4.283,35 4.314,36 6.011,37 4.17,38 4.925,39 5.124,40 4.281,41 4.267,42 5.874,43 4.145,44 4.914,45 5.112,46 4.258,47 4.18,48 5.924,49 4.081,50 4.944,51 5.186,52 4.196,53 4.111,54 5.91,55 4.011,56 0.148,57 1.015,58 14.366,59 5.451,60 18.998,61 6.541,62 0.73,63 1.608,64 29.882,65 9.399,66 67.352,67 11.341,68 0.77,69 1.891,70 42.195,71 11.729,72 62.347,73 14.714,74 0.722,75 1.904,76 41.967,77 13.9,78 80.334,79 17.618,80 0.795,81 1.853,82 47.492,83 14.835,84 70.834,85 18.355,86 0.524,87 1.792,88 40.2,89 13.013,90 33.803,91 15.676,92 0.515,93 1.694,94 34.296,95 10.766,96 47.616,97 13.763,98 0.618,99 1.632,100 36.004,101 10.483,102 47.333,103 14.057,104 18,105 54,106 0.295,107 0.599,108 0.743,109 0.795,110 0.795,111 0.795,112 3.532,113 1.088,114 -2.12,115 -2.16,116 -2.15,119 33.9,124 1,125 9,142 1,143 1,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,174 6,175 5,177 2,178 2,183 1,186 2,187 5,198 5,199 3,204 1,207 1,209 1,211 4,220 1,223 4,224 5,226 2,227 2,236 1,237 5,249 1,250 4,252 1,253 1,255 1,260 1,262 7,268 1,273 1,275 1892,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 27.761,283 12.839,284 23.039,285 18.321,286 18.321,287 18.321,288 18.321,289 18.321,290 14.91,291 38.164,292 6.185,293 19.911,294 4.058,295 2.178,296 1.284,297 0.962,298 0.962,299 0.962,300 4.239,305 1,306 889,307 3.464,310 73.858,311 401.281,314 137.361,318 1.888,319 39.467,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 73,331 406,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.638,342 3.335,343 6.753,344 4.149,345 3.223,346 4.51,347 0.86,348 11.114,349 2.981,350 4.153,351 3.014,352 6.107,353 3.73,354 2.779,355 3.777,356 0.8,357 8.938,358 2.641,359 3.863,360 2.841,361 5.866,362 3.583,363 2.664,364 3.242,365 0.4,366 8.286,367 2.442,368 3.664,369 2.71,370 5.477,371 3.369,372 2.449,373 3.037,374 0.172,375 7.274,376 2.251,377 3.545,378 2.417,379 5.049,380 3.185,381 2.28,382 2.685,384 6.117,385 2.062,386 3.213,387 2.314,388 4.95,389 2.881,390 1.954,391 2.351,393 5.701,394 1.797,395 3.013,396 2.213,397 4.683,398 2.65,399 1.743,400 2.117,402 4.816,403 1.572,404 2.869,405 1.95,406 4.551,407 2.449,408 1.547,409 2.007,411 4.581,412 1.386,413 2.685,414 1.548,415 4.373,416 2.316,417 1.389,418 1.676,420 4.07,421 1.28,422 2.5,423 1.432,424 3.755,425 2.096,426 1.234,427 1.5,428 2.943,429 1.052,430 2.388,431 1.256,432 3.414,433 1.967,434 1,435 1.375,436 2.275,437 0.965,438 2,439 1.146,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.643,458 3.247,459 1.421,460 0.557,461 0.754,463 1.615,464 0.472,465 15.867,466 0.481,467 0.98,468 0.03,469 41.75,470 1.265,471 18,472 0.545,473 23.75,474 0.72,475 31.894,476 0.966,477 36.933,478 0.626,479 31.769,480 0.963,481 7.715,482 0.234,483 8.15,484 0.247,485 0.099,486 0.053,487 0.296,493 0.734,494 1.659,495 0.769,496 1.252,497 0.715,498 1.012,499 1.006,500 0.941,501 0.942,502 0.832,503 0.536,504 0.791,505 1.201,506 1.158,507 1.2,508 1.124,509 1.05,510 1.027,511 0.89,512 0.974,513 0.979,514 1.008,515 1.108,516 1.057,517 0.785,518 0.914,519 1.076,520 0.995,521 0.923,522 0.912,523 0.611,524 1.12,525 1.295,526 1.375,527 0.392,528 1.177,529 0.95,530 1.332,531 0.908,532 1.105,533 0.872,534 1.201,535 0.896,536 1.037,537 0.833,538 0.915,539 0.615,540 0.965,541 8,542 0.178,543 3.778,544 2.132,545 1.56,546 1.511,547 0.797,548 0.487,549 0.414,550 0.343,551 15712,552 47735,553 2.123,554 44.1,556 22,558 2,559 2,564 1.755,565 1.99,566 3.556,567 0.342,573 107.671,574 1.825,575 3.705,576 4.598,577 4.921,578 4.921,579 4.921,580 3.048,581 4.476,582 5.01,583 3.766,584 1988.53,585 8.795,586 29507.1,591 347.076,592 1.521,593 4.972,594 0.216,595 0.006,596 0.07,597 0.04,598 0.032,599 0.031,600 0.016,601 0.011,602 0.01,603 0.009,604 0.441,605 0.33,606 0.63,607 0.675,608 174.61,609 0.008,610 -0.382,611 0.177,612 -0.125,613 -0.125,614 -0.02,615 0.05,616 0.198,617 0.031,618 0.167,619 0.267,620 0.14,621 -0.2,622 -0.076,623 -0.15,624 -0.061,625 -0.106,626 -0.052,627 -0.041,628 0.021,629 -0.039,630 -0.013,631 -0.097,632 -0.047,633 0.032,634 0.064,635 0.015,636 0.109,637 -0.055,638 0.138,639 0.05,640 0.008,641 -0.169,642 -0.193,643 0.027,644 -0.132,645 -0.105,646 -0.275,647 -0.058,648 -0.165,649 -0.124,650 -0.231,651 -0.055,652 -0.042,653 0.063,654 -0.011,655 0.006,657 4.054,658 4.789,659 0.818,660 37.556,661 1.015,662 1.139,663 0.889,664 0.79,665 0.67,666 3.638,667 4.007,668 4.263,669 4.543,670 4.828,671 4.99,672 5.198,673 5.384,674 5.529,675 5.71,676 7.332,677 0.634,678 490.68,679 3.638,680 5.209,681 6.066,682 6.963,683 7.84,684 8.742,685 9.629,686 10.535,687 11.428,688 12.336,689 13.6,692 2,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 59,733 18,735 37,737 63,738 20,739 10,746 5,747 6,761 10,762 10,766 2,769 1,771 2,781 26,782 11,783 2,784 13,785 2,790 8,794 0.8,795 3,806 2,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 33,849 1,852 1,854 9,856 1,859 3,865 1,870 5.1,873 2,874 1,877 16.583,878 10.817,879 6.944,880 3.418,881 3.01,882 1.364,883 1.012,884 6.466,885 11.285,886 3.871,887 4.508,888 5.02,889 5.626,890 6.202,891 6.635,892 7.141,893 7.623,894 7.967,895 8.368,896 1,897 53,898 12.381,900 5.505,901 7.785,902 23.603,904 20.05,905 2.285,906 75.417,910 282.506,911 109.76,912 107.806,914 55.313,916 37.085,917 72.675,918 337.819,919 107.806,920 7.19,921 23.925,922 48.181,923 145.997,924 33.52,925 6.331,926 290.242,928 282.506,929 180.481,930 55.313,931 37.085,933 284.834,934 44.313,935 11,937 50.706,938 60.306,939 72.95,940 31.278,941 282.506,942 163.119,943 109.76,945 5.807,946 282.506,947 69.191,948 42.529,950 155.352,951 282.506,952 163.119,953 109.76,955 0.595,956 0.333,957 0.173,958 0.1,959 28,960 12,961 0.079,962 5,963 1,964 1.074,965 4.372,966 318.373,967 0.074,968 27,969 152.465,970 1,973 1,974 22.813,975 9.354,976 5.101,977 1.926,978 163.119,979 5.387,980 17.858,983 1.692,984 3.558,986 32.897,987 555.386,988 47,991 -3.137,993 23.578,999 59.902,1000 67.191,1001 0.31,1002 0.63,1003 0.782,1004 0.836,1005 0.836,1006 0.836,1007 5.147,1008 1.743,1009 6.089,1010 5.701,1011 4.691,1012 5.196,1013 1.661,1014 6.938,1015 4.53,1016 6.377,1017 1.547,1018 7.676,1019 4.816,1020 4.443,1021 5.293,1022 0.57,1023 8.044,1024 4.206,1025 7.725,1026 1.389,1027 9.369,1028 4.581,1029 6.365,1030 7.499,1031 1.271,1032 11.079,1033 6.057,1034 9.112,1035 1.234,1036 11.128,1037 4.07,1038 6.909,1039 8.412,1040 0.581,1041 12.996,1042 6.526,1043 10.535,1044 1,1045 12.93,1046 2.943,1047 8.35,1048 10.169,1049 1.026,1050 15.608,1051 7.899,1052 11.983,1053 1,1054 14.762,1055 2.275,1056 9.242,1057 11.419,1058 0.515,1059 17.838,1060 8.715,1061 13.451,1062 1,1063 16.617,1064 2.275,1065 10.506,1066 13.02,1067 0.841,1068 20.323,1069 9.909,1070 3.314,1071 0.557,1072 18.488,1073 2.136,1074 11.554,1075 14.415,1076 0.441,1077 22.676,1078 10.881,1079 3.223,1080 11.657,1081 20.374,1082 1.615,1083 12.754,1084 15.957,1085 0.689,1086 25.122,1087 12.009,1088 2.779,1089 11.114,1090 22.27,1091 4.577,1092 13.873,1093 17.416,1094 0.373,1095 27.524,1096 13.052,1097 2.664,1098 8.938,1099 24.174,1100 4.51,1101 15.054,1102 18.937,1103 0.564,1104 29.962,1105 14.158,1106 2.449,1107 8.286,1108 26.086,1109 3.777,1110 16.205,1111 20.424,1112 0.314,1113 32.384,1114 15.233,1115 2.28,1116 7.274,1117 28.004,1118 3.242,1119 17.381,1120 21.938,1121 0.461,1122 34.821,1123 16.335,1124 1.954,1125 6.117,1126 29.927,1127 3.037,1128 18.548,1129 23.438,1130 0.264,1131 37.253,1132 17.425,1133 14759,1134 25886,1135 24.849,1136 39.557,1137 56.322,1138 57.77,1139 56.929,1140 56.413,1141 56.366,1142 71.325,1143 6.298,1144 167.867,1145 51.769,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.577,1152 1.776,1153 18.903,1154 5.01,1155 16.004,1156 1.522,1157 1.561,1158 1.539,1159 1.525,1160 1.523,1161 1.928,1162 0.17,1163 4.537,1164 1.399,1165 4.105,1166 4.129,1167 4.722,1168 4.069,1169 7.716,1170 4.025,1171 4.003,1172 3.999,1173 4.336,1174 3.953,1175 6.999,1176 3.829,1177 3.812,1178 3.861,1179 3.826,1180 3.676,1181 5.245,1182 3.686,1183 3.738,1184 3.786,1185 3.652,1186 3.532,1187 5.014,1188 3.542,1189 3.636,1190 3.669,1191 3.59,1192 3.468,1193 4.616,1194 3.444,1195 3.302,1196 3.362,1197 3.339,1198 3.117,1199 4.578,1200 3.13,1201 3.111,1202 3.206,1203 2.959,1204 2.941,1205 4.363,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.196,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.124,1220 4.375,1221 0.025,1222 7.111,1223 0.315,1224 4.248,1225 0.083,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.888,1232 1.853,1233 1.975,1234 2.057,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.954,1240 2.04,1241 1.217,1242 2.031,1243 1.709,1244 1.66,1245 1.86,1246 1.932,1247 0.991,1248 1.915,1249 1.622,1250 1.606,1251 1.695,1252 1.782,1253 0.942,1254 1.817,1255 1.556,1256 1.518,1257 1.597,1258 1.737,1259 0.836,1260 1.738,1261 1.401,1262 1.38,1263 1.513,1264 1.511,1265 0.825,1266 1.561,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.51,1276 1.376,1277 0.743,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.836,1286 6.843,1287 10.5,1289 1.268,1293 5.642,1295 6.058,1297 5.531,1300 6.056,1305 37.431,1306 107.671,1307 218.573,1308 271.302,1309 290.321,1310 290.321,1311 290.321,1312 58.07,1313 8.275,1314 130.67,1315 167.29,1316 29,1317 12.856,1318 4.248,1319 3.459,1320 47.716,1321 146,1322 141,1323 0.161,1324 233.763,1325 392.97,1326 562.143,1327 44798,1329 23.001,1330 0.697,1331 0.605,1332 23.605,1333 19.978,1334 15.864,1335 0.429,1336 0.363,1337 10.759,1338 13.809,1339 10.308,1340 8.4,1341 17.167,1342 13.417,1343 15.394,1344 0.285,1345 0.209,1346 17.423,1347 11.285,1348 12.298,1349 0.176,1350 0.118,1351 13.842,1352 8.233,1353 10.256,1354 0.11,1355 0.065,1356 11.71,1357 6.036,1358 8.624,1359 0.07,1360 0.035,1361 9.885,1362 4.279,1363 0.253,1364 113.965,1365 0.201,1366 30.586,1367 0.445,1368 182,1369 567.755,1370 263.779,1371 579.864,1372 788.85,1373 540,1374 215,1375 539.722,1376 303.14,1377 590.545,1378 864.89,1379 552,1380 8.699}
{0 CHEMBL1083305,1 1.709,2 11.944,3 3.899,4 15.2,5 133.767,6 8.159,7 0.525,8 4.226,9 4.331,10 3.861,11 3.731,12 5.443,13 3.748,14 4.73,15 4.888,16 4.269,17 4.115,18 5.935,19 4.133,20 4.878,21 5.019,22 4.36,23 4.241,24 6.175,25 4.255,26 5.019,27 5.18,28 4.35,29 4.32,30 6.252,31 4.297,32 5.049,33 5.238,34 4.368,35 4.32,36 6.236,37 4.293,38 5.106,39 5.295,40 4.385,41 4.353,42 6.283,43 4.329,44 5.092,45 5.258,46 4.482,47 4.331,48 6.447,49 4.322,50 5.12,51 5.299,52 4.355,53 4.269,54 6.442,55 4.254,56 0.175,57 0.963,58 10.53,59 5.244,60 13.461,61 6.009,62 0.482,63 1.505,64 21.263,65 8.421,66 36.449,67 10.294,68 0.677,69 1.781,70 23.918,71 9.43,72 60.938,73 10.754,74 0.747,75 1.958,76 28.524,77 11.516,78 67.829,79 13.605,80 0.712,81 1.952,82 31.648,83 12.363,84 67.995,85 15.639,86 0.768,87 2.088,88 34.347,89 13.243,90 86.029,91 16.024,92 1.14,93 2.091,94 32.23,95 12.562,96 98.033,97 15.587,98 1.224,99 2.062,100 35.987,101 13.029,102 126.403,103 15.001,104 71,105 60,106 0.272,107 0.687,108 0.815,109 0.878,110 0.878,111 0.878,112 3.616,113 0.836,114 -2.97,115 -2.98,116 -2.87,119 43.3,120 2,124 3,135 1,136 1,142 5,143 3,144 5,146 1,152 3,157 1,159 1,166 1,172 5,175 12,178 2,179 1,180 3,183 8,187 9,190 1,192 4,195 7,198 2,199 8,204 4,207 8,211 2,212 9,215 1,216 1,217 4,220 10,224 4,227 1,229 3,232 7,236 4,237 7,240 2,241 1,242 1,245 7,249 2,250 7,253 3,255 5,258 5,263 7,266 1,268 3,271 6,275 2538,276 23.997,277 23.997,278 23.997,279 23.997,280 23.997,281 20.877,282 29.074,283 13.467,284 24.526,285 19.561,286 19.561,287 19.561,288 19.561,289 19.561,290 14.602,291 37.899,292 6.248,293 20.289,294 4.198,295 1.595,296 0.79,297 0.396,298 0.396,299 0.396,300 4.314,305 1,306 930,307 3.808,310 229.139,311 190.329,314 281.655,318 1.846,319 48.49,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 80,331 430,332 4.748,333 3.554,334 7.063,335 4.359,336 3.381,337 4.604,338 1.656,339 12.166,340 3.308,341 4.62,342 3.541,343 6.701,344 4.164,345 3.179,346 4.427,347 0.86,348 10.816,349 3.131,350 4.435,351 3.254,352 6.631,353 4.021,354 3.052,355 4.149,356 0.6,357 10.514,358 2.956,359 3.956,360 3.234,361 5.925,362 3.56,363 2.592,364 3.43,365 0.247,366 8.151,367 2.501,368 3.844,369 2.818,370 5.605,371 3.455,372 2.498,373 3.238,375 7.482,376 2.382,377 3.585,378 2.64,379 5.415,380 3.179,381 2.215,382 2.886,384 6.716,385 2.139,386 3.478,387 2.5,388 5.329,389 3.087,390 2.138,391 2.762,393 6.515,394 2.003,395 3.361,396 2.23,397 5.264,398 2.965,399 2.003,400 2.607,402 6.253,403 1.92,404 3.284,405 2.065,406 4.951,407 2.848,408 1.863,409 2.563,411 5.249,412 1.826,413 3.11,414 2.007,415 4.835,416 2.694,417 1.731,418 2.336,420 5.108,421 1.663,422 3.1,423 1.833,424 4.711,425 2.663,426 1.68,427 2.279,428 4.937,429 1.647,430 2.715,431 1.552,432 4.509,433 2.255,434 1.277,435 1.754,436 3.9,437 1.245,438 2.602,439 1.463,440 4.181,441 2.054,442 1.127,443 1.521,445 3.234,446 1.036,447 2.205,448 1.1,449 3.562,450 1.768,451 0.805,452 1.089,454 2.01,455 0.77,456 1.746,457 1.055,458 3.292,459 1.426,460 0.521,461 0.604,463 1.071,464 0.466,465 16.619,466 0.462,467 1.134,468 0.032,469 48.5,470 1.347,471 24.5,472 0.681,473 24,474 0.667,475 32.874,476 0.913,477 38.581,478 0.643,479 43.864,480 1.218,481 9.957,482 0.277,483 7.253,484 0.201,485 0.208,487 0.475,491 1,493 0.782,494 1.133,495 0.705,496 1.045,497 0.68,498 0.891,499 0.828,500 0.935,501 0.611,502 0.769,503 0.572,504 0.654,505 1.116,506 1.026,507 0.937,508 0.922,509 0.989,510 0.878,511 0.994,512 1.085,513 1.069,514 1.123,515 0.986,516 1.115,517 0.802,518 1.014,519 0.825,520 1.009,521 0.845,522 0.942,523 1.092,524 1.09,525 0.936,526 1.019,527 1.124,528 0.954,529 0.714,530 1.094,531 0.829,532 1.129,533 0.782,534 1.04,535 1.328,536 1.169,537 1.118,538 1.091,539 1.267,540 1.067,541 8.5,542 0.27,543 4.667,544 4.257,545 2.433,546 1.664,547 1.414,548 1.064,549 0.761,550 0.339,551 17493,552 53382,553 2.053,554 40,556 15,559 3,560 6,564 1.781,565 1.862,566 3.441,567 0.828,573 102.553,574 1.709,575 4.312,576 5.117,577 5.511,578 5.511,579 5.511,580 2.892,581 5.17,582 5.138,583 3.678,584 2317.37,585 9.073,586 35357.3,591 354.413,592 1.53,593 5.071,594 0.213,595 0.008,596 0.078,597 0.067,598 0.04,599 0.026,600 0.022,601 0.016,602 0.013,603 0.008,604 0.491,605 0.33,606 0.75,607 1.145,608 192.795,609 -0.062,610 -0.07,611 0.036,612 -0.026,613 -0.101,614 0.019,615 0.005,616 0.072,617 0.251,618 0.218,619 0.065,620 0.285,621 -0.111,622 0.07,623 -0.077,624 0.06,625 -0.048,626 0.021,627 -0.074,628 -0.055,629 -0.186,630 -0.133,631 -0.069,632 -0.177,633 0.046,634 -0.038,635 0.101,636 -0.004,637 0.006,638 0.049,639 -0.099,640 -0.039,641 0.018,642 -0.001,643 -0.098,644 0.035,645 0.335,646 -0.047,647 0.108,648 -0.128,649 0.213,650 -0.085,651 -0.006,652 -0.04,653 -0.104,654 -0.085,655 0.013,656 -0.114,657 2.191,658 7.023,659 0.639,660 37.5,661 1.019,662 1.13,663 1.744,664 3.042,665 0.673,666 3.714,667 4.111,668 4.454,669 4.787,670 5.043,671 5.236,672 5.489,673 5.7,674 5.823,675 5.953,676 7.053,677 0.66,678 489.55,679 3.714,680 5.303,681 6.196,682 7.119,683 8.034,684 8.963,685 9.888,686 10.822,687 11.752,688 12.689,689 8.3,696 2,697 1,698 1,699 1,703 2,704 5,705 1,707 1,709 10,710 1,711 21,714 1,728 1,729 1,730 1,731 60,733 24,734 2,735 40,737 64,738 26,739 17,740 7,741 5,742 3,746 5,747 7,751 1,752 2,761 21,762 5,766 3,771 1,773 1,774 1,775 3,779 1,780 1,781 24,782 9,783 3,784 10,790 5,794 0.6,795 4,803 1,811 3,812 2,815 2,831 1,832 1,840 3,844 5,846 1,848 36,853 1,855 2,856 1,869 1,870 6.7,872 1,873 1,875 2,877 19.333,878 12.693,879 7.806,880 3.366,881 5.161,882 1.595,883 0.994,884 6.103,885 13.834,886 3.998,887 4.7,888 5.372,889 6.041,890 6.596,891 7.058,892 7.612,893 8.152,894 8.58,895 9.057,896 0.875,897 64,898 13.354,900 5.869,901 7.944,902 24.733,904 20.29,905 2.444,906 88,910 247.193,911 157.022,912 71.247,914 88.336,915 14.96,917 157.022,918 335.529,919 86.207,920 45.326,921 36.022,922 56.857,923 87.248,924 73.834,925 32.278,926 247.193,928 247.193,929 228.269,930 103.296,933 262.153,934 88.336,937 74.991,938 127.139,939 26.139,941 262.153,942 159.582,943 157.022,946 247.193,947 54.839,948 103.96,949 36.022,950 136.744,951 247.193,952 174.542,953 157.022,955 0.598,956 0.366,957 0.197,958 0.11,959 31,960 16,961 0.063,962 4,963 2,964 1.174,965 4.355,966 374.996,967 0.174,968 23,969 186.117,974 24.1,975 9.117,976 4.097,977 0.835,978 172.766,979 7.912,980 4.486,982 5.943,984 3.391,985 1.74,986 78.705,987 578.758,988 53.5,993 11.683,995 1.636,996 4.636,997 0.684,999 61.167,1000 67.821,1001 0.289,1002 0.73,1003 0.866,1004 0.933,1005 0.933,1006 0.933,1007 5.279,1008 2.003,1009 6.229,1010 6.515,1011 4.796,1012 5.389,1013 2.079,1014 7.125,1015 4.73,1016 6.547,1017 1.863,1018 7.847,1019 6.253,1020 4.575,1021 5.421,1022 1.195,1023 8.162,1024 4.483,1025 7.903,1026 1.731,1027 9.559,1028 5.249,1029 6.482,1030 7.711,1031 2.529,1032 11.314,1033 6.368,1034 9.295,1035 1.68,1036 11.325,1037 5.108,1038 7.048,1039 8.536,1040 2.324,1041 13.174,1042 6.91,1043 10.717,1044 1.277,1045 13.126,1046 4.937,1047 8.473,1048 10.34,1049 3.278,1050 15.865,1051 8.319,1052 12.161,1053 1.127,1054 14.951,1055 3.9,1056 9.389,1057 11.532,1058 3.407,1059 18.077,1060 9.213,1061 13.623,1062 0.805,1063 16.796,1064 3.234,1065 10.646,1066 13.149,1067 4.165,1068 20.613,1069 10.455,1070 3.381,1071 0.521,1072 18.656,1073 2.01,1074 11.716,1075 14.511,1076 4.464,1077 22.972,1078 11.504,1079 3.179,1080 12.166,1081 20.529,1082 1.071,1083 12.918,1084 16.055,1085 5.114,1086 25.457,1087 12.69,1088 3.052,1089 10.816,1090 22.412,1091 4.604,1092 14.053,1093 17.494,1094 5.504,1095 27.877,1096 13.805,1097 2.592,1098 10.514,1099 24.304,1100 4.427,1101 15.24,1102 19.01,1103 6.092,1104 30.348,1105 14.974,1106 2.498,1107 8.151,1108 26.203,1109 4.149,1110 16.404,1111 20.484,1112 6.531,1113 32.797,1114 16.119,1115 2.215,1116 7.482,1117 28.108,1118 3.43,1119 17.589,1120 21.991,1121 7.084,1122 35.267,1123 17.285,1124 2.138,1125 6.716,1126 30.018,1127 3.238,1128 18.768,1129 23.481,1130 7.551,1131 37.731,1132 18.444,1133 16794,1134 29502,1135 25.896,1136 40.398,1137 61.929,1138 63.733,1139 65.949,1140 61.195,1141 61.27,1142 81.758,1143 6.726,1144 190.163,1145 59.029,1146 5.597,1147 5.554,1148 6.615,1149 5.4,1150 5.381,1151 7.604,1152 2.912,1153 19.905,1154 5.308,1155 22.885,1156 1.548,1157 1.593,1158 1.649,1159 1.53,1160 1.532,1161 2.044,1162 0.168,1163 4.754,1164 1.476,1165 4.15,1166 4.164,1167 4.128,1168 4.053,1169 8.201,1170 4.069,1171 4.035,1172 4.059,1173 4.012,1174 3.935,1175 7.431,1176 3.95,1177 3.895,1178 3.935,1179 3.859,1180 3.754,1181 6.471,1182 3.773,1183 3.628,1184 3.678,1185 3.571,1186 3.431,1187 5.076,1188 3.452,1189 3.473,1190 3.517,1191 3.402,1192 3.252,1193 4.961,1194 3.287,1195 3.328,1196 3.379,1197 3.236,1198 3.121,1199 4.819,1200 3.14,1201 3.229,1202 3.321,1203 3.04,1204 3.037,1205 4.587,1206 3.016,1207 3.159,1208 3.235,1209 3.001,1210 2.92,1211 4.426,1212 2.93,1213 0.119,1214 0.089,1215 0.177,1216 0.109,1217 0.085,1218 4.748,1219 0.115,1220 3.554,1221 0.041,1222 7.063,1223 0.304,1224 4.359,1225 0.083,1226 3.381,1227 4.604,1228 1.656,1229 12.166,1230 3.308,1231 1.92,1232 1.903,1233 1.996,1234 2.018,1235 1.137,1236 2.01,1237 1.872,1238 1.861,1239 1.934,1240 1.963,1241 1.097,1242 1.952,1243 1.737,1244 1.711,1245 1.858,1246 1.876,1247 1.015,1248 1.868,1249 1.548,1250 1.507,1251 1.753,1252 1.799,1253 0.809,1254 1.783,1255 1.489,1256 1.428,1257 1.698,1258 1.753,1259 0.727,1260 1.732,1261 1.43,1262 1.357,1263 1.64,1264 1.672,1265 0.688,1266 1.658,1267 1.193,1268 1.127,1269 1.551,1270 1.505,1271 0.584,1272 1.518,1273 1.158,1274 1.123,1275 1.528,1276 1.382,1277 0.567,1278 1.438,1279 4.394,1281 5.771,1282 3.434,1283 7.331,1284 5.938,1285 8.976,1286 8.122,1287 10.671,1289 8.579,1291 15.023,1294 11.017,1296 5.144,1297 5.29,1305 39.617,1306 102.553,1307 258.691,1308 307.029,1309 330.639,1310 330.639,1311 330.639,1312 78.5,1313 8.673,1314 114.44,1315 114.44,1316 27,1317 13.188,1318 4.644,1319 3.858,1320 54.123,1321 146,1322 196,1323 0.176,1324 239.23,1325 417.51,1326 575.482,1327 73614,1328 1.7,1329 25.723,1330 0.715,1331 0.565,1332 24.853,1333 20.356,1334 17.21,1335 0.43,1336 0.279,1337 10.925,1338 16.31,1339 10.526,1340 8.774,1341 16.799,1342 11.149,1343 16.184,1344 0.27,1345 0.14,1346 15.644,1347 8.423,1348 14.401,1349 0.169,1350 0.073,1351 13.997,1352 6.236,1353 12.137,1354 0.102,1355 0.037,1356 11.708,1357 4.367,1358 9.914,1359 0.064,1360 0.019,1361 9.579,1362 2.918,1363 0.271,1364 109.654,1365 0.197,1366 32.237,1367 0.503,1368 200,1369 685.068,1370 225.032,1371 629.179,1372 862.82,1373 588,1374 245,1375 650.111,1376 270.431,1377 649.402,1378 958.84,1379 609,1380 9.398}
{0 CHEMBL1083506,1 1.748,2 8.115,3 2.681,4 7.189,5 100.456,6 8.546,7 0.667,8 3.92,9 4.023,10 3.655,11 3.49,12 5.028,13 3.474,14 4.458,15 4.607,16 4.054,17 3.913,18 5.525,19 3.873,20 4.626,21 4.807,22 4.105,23 3.988,24 5.633,25 3.927,26 4.626,27 4.825,28 4.036,29 3.972,30 5.65,31 3.905,32 4.608,33 4.809,34 4.026,35 3.969,36 5.67,37 3.888,38 4.578,39 4.739,40 4.018,41 3.994,42 5.624,43 3.915,44 4.602,45 4.779,46 3.934,47 3.97,48 5.586,49 3.871,50 4.678,51 4.895,52 3.781,53 3.871,54 5.622,55 3.739,56 0.1,57 0.703,58 7.693,59 3.876,60 9.466,61 4.323,62 0.326,63 1.159,64 16.483,65 6.68,66 22.67,67 7.331,68 0.392,69 1.354,70 25.365,71 8.256,72 22.032,73 9.805,74 0.28,75 1.353,76 21.437,77 8.106,78 23.755,79 10.054,80 0.465,81 1.351,82 24.592,83 8.314,84 35.402,85 9.758,86 0.35,87 1.287,88 22.215,89 8.237,90 22.723,91 9.236,92 0.283,93 1.255,94 19.69,95 8.644,96 19.079,97 10.426,98 0.356,99 1.236,100 26.888,101 9.793,102 35.62,103 12.039,104 3,105 43,106 0.3,107 0.696,108 0.811,109 0.843,110 0.843,111 0.843,112 3.306,113 0.931,114 -3.19,115 -3.18,116 -3.06,119 41.9,125 5,142 4,143 2,145 1,146 1,147 1,149 1,152 3,168 1,172 4,174 2,175 4,180 2,183 5,186 1,187 9,192 4,195 2,198 1,199 7,204 1,207 1,211 3,212 4,215 3,220 3,224 2,227 2,232 3,236 2,237 4,240 1,242 2,245 2,250 3,255 3,258 1,263 1,266 1,268 1,275 892,276 18.317,277 18.317,278 18.317,279 18.317,280 18.317,281 16.146,282 15.171,283 10.783,284 18.942,285 14.812,286 14.812,287 14.812,288 14.812,289 14.812,290 11.372,291 20.255,292 5.071,293 15.883,294 3.678,295 1.368,296 0.698,297 0.512,298 0.512,299 0.512,300 4.022,303 1,304 1,305 1,306 476,307 2.345,310 98.437,311 181.589,314 178.286,318 1.133,319 22.283,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 211,332 4.67,333 3.341,334 6.793,335 4.196,336 3.251,337 4.618,338 0.86,339 11.244,340 3.105,341 4.506,342 3.094,343 6.634,344 4.019,345 3.058,346 4.443,347 0.8,348 10.637,349 2.896,350 3.878,351 2.872,352 5.853,353 3.524,354 2.608,355 3.376,356 0.765,357 8.181,358 2.385,359 3.771,360 2.52,361 5.743,362 3.371,363 2.425,364 3.113,366 7.745,367 2.292,368 3.33,369 2.311,370 5.098,371 2.959,372 2.028,373 2.6,375 5.991,376 1.868,377 3.049,378 2.137,379 4.707,380 2.649,381 1.745,382 2.322,384 4.825,385 1.567,386 3.018,387 1.551,388 4.608,389 2.536,390 1.549,391 2.189,393 4.496,394 1.529,395 2.951,396 1.548,397 4.057,398 2.424,399 1.482,400 2.086,402 3.57,403 1.389,404 2.5,405 1.5,406 3.766,407 2.101,408 1.241,409 1.5,411 2.961,412 1.055,413 2.4,414 1.256,415 3.427,416 1.97,417 1,418 1.388,420 2.232,421 0.968,422 2.033,423 1,424 3.392,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 0.954,432 3.247,433 1.542,434 0.641,435 0.87,436 1.78,437 0.565,438 1.871,439 0.675,440 3.137,441 1.335,442 0.408,443 0.594,445 1.086,446 0.375,447 1.535,448 0.426,449 2.806,450 1.236,451 0.382,452 0.43,454 0.554,455 0.323,456 1.013,457 -0.256,458 2.637,459 0.548,460 -0.378,461 -0.486,463 -1.02,464 -0.344,465 12.5,466 0.481,467 0.513,468 0.02,469 34.5,470 1.327,471 16.5,472 0.635,473 18,474 0.692,475 21.385,476 0.823,477 27.1,478 0.63,479 23.48,480 0.903,481 6.667,482 0.256,483 6.163,484 0.237,485 0.027,487 0.352,493 0.908,494 1.179,495 0.694,496 0.895,497 0.897,498 0.829,499 1.252,500 0.967,501 0.859,502 0.757,503 0.99,504 0.777,505 0.904,506 1.219,507 1.053,508 1.138,509 0.661,510 0.951,511 0.791,512 1.206,513 0.849,514 0.962,515 0.799,516 0.957,517 0.746,518 0.839,519 1.16,520 0.972,521 0.677,522 0.897,523 0.868,524 1.09,525 1.287,526 1.252,527 0.817,528 1.147,529 0.746,530 1.054,531 1.012,532 1.175,533 0.739,534 1.244,535 1.023,536 1.14,537 1.077,538 1.248,539 1.311,540 1.233,541 4,542 0.037,543 2.667,544 1.694,545 1.199,546 0.956,547 0.62,548 0.334,549 0.185,550 0.102,551 7678,552 21468,553 2.241,554 39.5,556 14,558 1,559 2,564 1.699,565 2.167,566 3.056,567 0.327,568 1,569 1,573 75.174,574 1.748,575 4.058,576 4.729,577 4.915,578 4.915,579 4.915,580 2.307,581 4.393,582 4.673,583 3.196,584 1038.78,585 8.143,586 12524.5,588 1,590 1,591 233.329,592 1.142,593 4.66,594 0.133,595 0.006,596 0.062,597 0.039,598 0.029,599 0.023,600 0.015,601 0.009,602 0.007,603 0.006,604 0.331,605 0.5,606 0.88,607 0.542,608 123.608,609 -0.058,610 -0.068,611 0.06,612 0.031,613 -0.084,614 0.035,615 -0.193,616 0.11,617 0.03,618 0.196,619 -0.128,620 0.111,621 -0.026,622 -0.171,623 0.012,624 -0.085,625 0.019,626 0.012,627 -0.044,628 -0.173,629 0.042,630 -0.032,631 -0.014,632 -0.007,633 0.073,634 0.26,635 -0.081,636 0.064,637 0.073,638 0.051,639 -0.045,640 -0.004,641 -0.253,642 -0.192,643 -0.05,644 -0.208,645 0.04,646 -0.066,647 -0.139,648 -0.209,649 -0.014,650 -0.276,651 -0.048,652 -0.262,653 -0.057,654 -0.221,655 -0.1,656 -0.191,657 1.49,658 3.556,659 0.923,660 19.462,661 1.013,662 1.124,663 1.96,664 3.842,665 0.701,666 3.434,667 3.784,668 4.143,669 4.489,670 4.745,671 4.905,672 5.136,673 5.328,674 5.412,675 5.509,676 5.314,677 0.672,678 367.47,679 3.434,680 4.99,681 5.878,682 6.783,683 7.689,684 8.604,685 9.517,686 10.435,687 11.352,688 12.272,689 11.6,695 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 43,733 20,734 1,735 30,737 47,738 18,739 13,740 3,741 3,746 5,747 7,752 1,761 13,762 5,777 1,778 1,781 17,782 6,783 2,784 8,785 1,790 5,794 0.6,795 2,796 1,803 1,806 1,811 2,812 3,815 2,838 1,839 1,840 3,842 1,848 26,853 1,854 5,856 1,859 1,865 1,870 4.7,871 1,874 1,877 12,878 7.75,879 5.667,880 2.556,881 3.993,882 1.506,883 1.031,884 4.079,885 11.888,886 3.714,887 4.388,888 5.101,889 5.806,890 6.371,891 6.844,892 7.387,893 7.908,894 8.238,895 8.682,896 0.667,897 43,898 9.602,900 4.194,901 7.641,902 18.568,904 15.809,905 2.141,906 55.667,909 1,910 176.567,911 108.433,912 70.021,914 53.683,916 31.278,917 77.155,918 230.25,919 70.021,921 13.396,922 80.588,923 73.005,924 39.065,925 6.576,926 196.073,928 176.567,929 147.177,930 53.683,931 31.278,933 178.894,935 53.683,937 41.251,938 53.364,939 50.234,940 31.278,941 176.567,942 123.705,943 108.433,946 176.567,947 61.481,948 50.077,949 16.663,950 103.917,951 176.567,952 123.705,953 108.433,955 0.579,956 0.355,957 0.208,958 0.115,959 24,960 9,961 0.064,962 3,963 2,964 1.167,965 3.781,966 242.329,967 0.167,968 24,969 118.211,970 1,974 16.122,975 6.578,976 2.8,977 3.836,978 107.042,979 9.734,980 13.847,981 2.995,983 1.551,984 3.429,986 59.346,987 408.704,988 40,999 43.542,1000 48.322,1001 0.322,1002 0.748,1003 0.871,1004 0.906,1005 0.906,1006 0.906,1007 4.956,1008 1.482,1009 5.861,1010 4.496,1011 4.466,1012 5.075,1013 1.528,1014 6.72,1015 4.336,1016 6.175,1017 1.241,1018 7.439,1019 3.57,1020 4.007,1021 4.956,1022 0.325,1023 7.687,1024 3.835,1025 7.502,1026 1,1027 9.12,1028 2.961,1029 6.094,1030 7.405,1031 1.175,1032 10.847,1033 5.856,1034 8.874,1035 1,1036 10.865,1037 2.232,1038 6.524,1039 8.2,1040 0.268,1041 12.67,1042 6.243,1043 10.283,1044 0.641,1045 12.649,1046 2.136,1047 8.031,1048 10.077,1049 0.908,1050 15.329,1051 7.697,1052 11.719,1053 0.408,1054 14.462,1055 1.78,1056 8.862,1057 11.277,1058 0.188,1059 17.49,1060 8.485,1061 13.175,1062 0.382,1063 16.294,1064 1.086,1065 10.146,1066 12.935,1067 0.694,1068 19.982,1069 9.722,1070 3.251,1071 -0.378,1072 18.141,1073 0.554,1074 11.158,1075 14.315,1076 0.125,1077 22.281,1078 10.69,1079 3.058,1080 11.244,1081 19.998,1082 -1.02,1083 12.356,1084 15.885,1085 0.523,1086 24.714,1087 11.844,1088 2.608,1089 10.637,1090 21.864,1091 4.618,1092 13.449,1093 17.342,1094 0.082,1095 27.071,1096 12.892,1097 2.425,1098 8.181,1099 23.737,1100 4.443,1101 14.618,1102 18.879,1103 0.389,1104 29.483,1105 14.017,1106 2.028,1107 7.745,1108 25.616,1109 3.376,1110 15.746,1111 20.369,1112 0.054,1113 31.866,1114 15.101,1115 1.745,1116 5.991,1117 27.498,1118 3.113,1119 16.906,1120 21.893,1121 0.287,1122 34.271,1123 16.217,1124 1.549,1125 4.825,1126 29.385,1127 2.6,1128 18.052,1129 23.398,1130 0.035,1131 36.666,1132 17.318,1133 7060,1134 11931,1135 20.978,1136 30.154,1137 45.692,1138 46.209,1139 46.387,1140 45.586,1141 45.634,1142 61.057,1143 4.849,1144 134.878,1145 42.529,1146 5.67,1147 5.341,1148 6.595,1149 5.32,1150 5.251,1151 7.618,1152 1.72,1153 18.514,1154 5.105,1155 6.641,1156 1.523,1157 1.54,1158 1.546,1159 1.52,1160 1.521,1161 2.035,1162 0.162,1163 4.496,1164 1.418,1165 4.148,1166 4.181,1167 4.337,1168 4.086,1169 6.457,1170 4.067,1171 4.003,1172 4.031,1173 4.056,1174 3.954,1175 5.128,1176 3.93,1177 3.73,1178 3.779,1179 3.655,1180 3.526,1181 4.971,1182 3.536,1183 3.434,1184 3.488,1185 3.437,1186 3.242,1187 4.611,1188 3.261,1189 3.306,1190 3.366,1191 3.211,1192 3.133,1193 4.4,1194 3.14,1195 3.111,1196 3.206,1197 3.001,1198 2.941,1199 4.224,1200 2.91,1201 3.027,1202 3.068,1203 2.866,1204 2.88,1205 3.966,1206 2.879,1207 2.942,1208 3.001,1209 2.844,1210 2.675,1211 3.625,1212 2.699,1213 0.156,1214 0.111,1215 0.226,1216 0.14,1217 0.108,1218 4.67,1219 0.154,1220 3.341,1221 0.029,1222 6.793,1223 0.375,1224 4.196,1225 0.104,1226 3.251,1227 4.618,1228 0.86,1229 11.244,1230 3.105,1231 1.975,1232 1.952,1233 2.038,1234 2.077,1235 1.224,1236 2.065,1237 1.791,1238 1.757,1239 1.928,1240 1.964,1241 1.168,1242 1.959,1243 1.611,1244 1.569,1245 1.747,1246 1.798,1247 0.898,1248 1.782,1249 1.513,1250 1.501,1251 1.576,1252 1.655,1253 0.856,1254 1.668,1255 1.307,1256 1.232,1257 1.513,1258 1.607,1259 0.825,1260 1.572,1261 1.153,1262 1.064,1263 1.442,1264 1.376,1265 0.416,1266 1.429,1267 1.021,1268 0.969,1269 1.223,1270 1.187,1271 0.296,1272 1.208,1273 0.866,1274 0.805,1275 1.131,1276 1.174,1277 0.264,1278 1.163,1279 4.111,1281 5.451,1282 3.045,1283 6.997,1284 5.352,1285 8.638,1286 7.424,1287 10.331,1294 9.556,1295 2.991,1297 5.488,1300 2.24,1305 28.885,1306 75.174,1307 174.5,1308 203.329,1309 211.329,1310 211.329,1311 211.329,1312 31.945,1313 7.895,1314 87.16,1315 115.4,1316 28,1317 12.781,1318 4.392,1319 3.459,1320 33.567,1321 84,1322 80,1323 0.202,1324 176.141,1325 284.53,1326 421.545,1327 27850,1329 17.51,1330 0.673,1331 0.569,1332 17.863,1333 14.791,1334 12.831,1335 0.428,1336 0.31,1337 8.418,1338 11.803,1339 8.223,1340 6.697,1341 13.239,1342 9.314,1343 11.413,1344 0.265,1345 0.17,1346 12.055,1347 7.329,1348 10.396,1349 0.168,1350 0.092,1351 11.244,1352 5.702,1353 9.271,1354 0.105,1355 0.049,1356 10.126,1357 4.288,1358 7.661,1359 0.067,1360 0.026,1361 8.444,1362 2.937,1363 0.303,1364 85.12,1365 0.218,1366 24.368,1367 0.598,1368 146,1369 425.659,1370 185.682,1371 427.953,1372 598.88,1373 406,1374 178,1375 432.444,1376 218.278,1377 451.737,1378 674.35,1379 427,1380 7.538}
{0 CHEMBL1083507,1 1.719,2 8.185,3 3.059,4 9.356,5 104.874,6 8.293,7 0.645,8 3.975,9 4.083,10 3.685,11 3.543,12 5.065,13 3.52,14 4.522,15 4.677,16 4.096,17 3.966,18 5.583,19 3.923,20 4.714,21 4.899,22 4.169,23 4.059,24 5.736,25 3.991,26 4.708,27 4.907,28 4.085,29 4.061,30 5.712,31 3.975,32 4.689,33 4.896,34 4.07,35 4.037,36 5.726,37 3.95,38 4.64,39 4.803,40 4.08,41 4.053,42 5.693,43 3.978,44 4.693,45 4.878,46 4.002,47 4.051,48 5.668,49 3.954,50 4.758,51 4.961,52 3.884,53 4.004,54 5.7,55 3.874,56 0.089,57 0.742,58 8.773,59 4.225,60 10.434,61 4.905,62 0.295,63 1.225,64 18.475,65 7.298,66 22.242,67 8.438,68 0.44,69 1.444,70 27.925,71 8.992,72 31.135,73 10.882,74 0.273,75 1.469,76 26.956,77 9.553,78 24.946,79 11.681,80 0.456,81 1.443,82 27.082,83 9.168,84 36.033,85 11.213,86 0.346,87 1.379,88 24.056,89 8.616,90 24.395,91 10.016,92 0.321,93 1.385,94 22.532,95 9.106,96 22.008,97 11.233,98 0.308,99 1.36,100 27.838,101 10.554,102 34.369,103 13.153,104 6,105 45,106 0.291,107 0.683,108 0.815,109 0.844,110 0.844,111 0.844,112 3.342,113 0.945,114 -3.42,115 -3.4,116 -3.25,119 41.3,120 1,125 4,127 1,142 4,143 2,145 1,146 1,147 1,149 1,152 3,168 1,172 4,174 2,175 4,180 3,183 5,186 1,187 9,192 4,195 4,198 1,199 7,204 1,207 1,211 3,212 5,215 3,220 3,224 4,227 2,232 3,236 2,237 4,240 1,242 2,245 3,250 3,255 3,258 3,263 2,266 1,268 1,271 1,275 978,276 18.654,277 18.654,278 18.654,279 18.654,280 18.654,281 16.507,282 15.977,283 10.926,284 19.297,285 15.353,286 15.353,287 15.353,288 15.353,289 15.353,290 11.951,291 22.101,292 5.204,293 16.434,294 3.805,295 1.492,296 0.712,297 0.538,298 0.538,299 0.538,300 4.054,303 1,304 1,305 1,306 495,307 2.739,310 103.815,311 192.049,314 188.753,318 1.169,319 23.454,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 221,332 4.675,333 3.364,334 6.799,335 4.201,336 3.259,337 4.621,338 0.86,339 11.265,340 3.106,341 4.512,342 3.114,343 6.639,344 4.029,345 3.066,346 4.445,347 0.8,348 10.654,349 2.908,350 3.947,351 3.049,352 6.005,353 3.63,354 2.709,355 3.409,356 0.765,357 8.561,358 2.486,359 3.775,360 2.642,361 5.76,362 3.394,363 2.453,364 3.138,366 7.794,367 2.309,368 3.491,369 2.353,370 5.576,371 3.183,372 2.238,373 2.734,375 7.011,376 2.102,377 3.049,378 2.21,379 4.709,380 2.683,381 1.772,382 2.323,384 4.833,385 1.607,386 3.019,387 1.559,388 4.628,389 2.537,390 1.55,391 2.232,393 4.57,394 1.529,395 2.985,396 1.551,397 4.063,398 2.451,399 1.516,400 2.092,402 3.582,403 1.409,404 2.5,405 1.536,406 3.78,407 2.101,408 1.241,409 1.5,411 2.97,412 1.057,413 2.414,414 1.256,415 3.688,416 1.97,417 1.041,418 1.402,420 2.584,421 0.968,422 2.285,423 1.236,424 3.425,425 1.952,426 1,427 1.251,428 2.232,429 0.946,430 2.026,431 1,432 3.391,433 1.931,434 1,435 1,436 2.136,437 0.908,438 2,439 0.681,440 3.247,441 1.536,442 0.621,443 0.854,445 1.746,446 0.558,447 1.871,448 0.426,449 3.136,450 1.33,451 0.408,452 0.594,454 1.085,455 0.374,456 1.028,457 -0.256,458 2.732,459 0.561,460 -0.37,461 -0.478,463 -1.036,464 -0.338,465 13,466 0.481,467 0.64,468 0.024,469 35,470 1.296,471 16.5,472 0.611,473 18.5,474 0.685,475 23.872,476 0.884,477 28.4,478 0.617,479 24.217,480 0.897,481 6.608,482 0.245,483 6.596,484 0.244,485 0.064,487 0.377,493 0.9,494 1.193,495 0.71,496 0.919,497 0.932,498 0.858,499 1.199,500 0.991,501 0.826,502 0.787,503 0.905,504 0.785,505 1.095,506 1.158,507 1.02,508 1.047,509 1.053,510 0.914,511 0.79,512 1.241,513 1.094,514 1.134,515 0.795,516 1.003,517 0.711,518 0.884,519 1.115,520 0.984,521 0.644,522 0.908,523 0.912,524 1.141,525 1.265,526 1.235,527 0.853,528 1.123,529 0.863,530 0.998,531 1.037,532 1.097,533 0.792,534 1.18,535 1.001,536 1.195,537 1.103,538 1.299,539 1.287,540 1.294,541 4.5,542 0.069,543 3.111,544 1.694,545 1.404,546 0.987,547 0.757,548 0.428,549 0.256,550 0.167,551 8381,552 22603,553 2.208,554 41.3,556 13,558 1,559 2,561 3,564 1.71,565 2.104,566 3.066,567 0.304,568 1,569 1,573 79.053,574 1.719,575 4.032,576 4.811,577 4.985,578 4.985,579 4.985,580 2.305,581 4.208,582 4.727,583 3.225,584 1132,585 8.255,586 14065.9,588 1,590 1,591 254.084,592 1.28,593 4.703,594 0.145,595 0.008,596 0.069,597 0.038,598 0.032,599 0.023,600 0.018,601 0.011,602 0.008,603 0.008,604 0.359,605 0.5,606 0.88,607 0.63,608 130.101,609 -0.044,610 -0.067,611 0.065,612 0.029,613 -0.11,614 0.034,615 -0.138,616 0.09,617 0.076,618 0.176,619 -0.037,620 0.124,621 -0.073,622 -0.115,623 0.048,624 0.003,625 -0.066,626 0.045,627 -0.045,628 -0.179,629 -0.045,630 -0.089,631 -0.019,632 -0.027,633 0.101,634 0.207,635 -0.044,636 0.051,637 0.099,638 0.051,639 -0.052,640 -0.025,641 -0.232,642 -0.183,643 -0.057,644 -0.189,645 -0.028,646 0.032,647 -0.165,648 -0.147,649 -0.052,650 -0.231,651 -0.064,652 -0.283,653 -0.134,654 -0.282,655 -0.118,656 -0.278,657 1.859,658 4.042,659 0.889,660 21.432,661 1.009,662 1.125,663 2.193,664 4.807,665 0.694,666 3.466,667 3.829,668 4.174,669 4.511,670 4.779,671 4.956,672 5.182,673 5.384,674 5.485,675 5.591,676 5.449,677 0.661,678 381.5,679 3.466,680 5.03,681 5.916,682 6.823,683 7.73,684 8.645,685 9.559,686 10.478,687 11.397,688 12.318,689 10.9,695 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 46,733 20,734 1,735 31,737 50,738 19,739 13,740 3,741 3,746 5,747 7,752 1,758 1,761 13,762 6,777 1,778 1,781 19,782 6,783 2,784 8,785 1,790 5,794 0.6,795 2,797 1,803 1,806 1,811 2,812 3,815 2,838 1,839 1,840 3,842 1,844 1,848 27,853 1,854 4,856 1,858 1,859 1,865 1,870 4.3,871 1,874 1,877 12.833,878 8.583,879 5.778,880 2.814,881 3.981,882 1.5,883 1.009,884 4.308,885 11.944,886 3.738,887 4.413,888 5.119,889 5.819,890 6.394,891 6.879,892 7.416,893 7.941,894 8.286,895 8.734,896 0.667,897 45,898 9.989,900 4.372,901 7.63,902 19.324,904 16.48,905 2.13,906 57.5,909 1,910 200.109,911 117.258,912 70.021,914 53.683,916 31.278,917 85.981,918 253.792,919 70.021,920 8.825,921 13.396,922 80.588,923 73.005,924 39.065,925 6.576,926 219.615,928 200.109,929 156.002,930 53.683,931 31.278,933 167.123,934 35.313,935 53.683,937 50.076,938 53.364,939 50.234,940 31.278,941 200.109,942 123.705,943 117.258,946 200.109,947 61.481,948 58.902,949 16.663,950 103.917,951 200.109,952 123.705,953 117.258,955 0.587,956 0.352,957 0.2,958 0.112,959 25,960 10,961 0.06,962 3,963 2,964 1.167,965 3.828,966 255.408,967 0.167,968 24,969 124.382,970 1,974 17.05,975 6.823,976 2.998,977 3.827,978 107.042,979 9.761,980 13.917,981 3,983 1.559,984 3.427,986 59.346,987 441.072,988 41,999 46.425,1000 51.737,1001 0.311,1002 0.73,1003 0.871,1004 0.903,1005 0.903,1006 0.903,1007 4.99,1008 1.516,1009 5.911,1010 4.57,1011 4.511,1012 5.1,1013 1.528,1014 6.774,1015 4.382,1016 6.214,1017 1.241,1018 7.496,1019 3.582,1020 4.111,1021 4.997,1022 0.325,1023 7.753,1024 3.934,1025 7.542,1026 1.041,1027 9.184,1028 2.97,1029 6.146,1030 7.422,1031 1.175,1032 10.905,1033 5.909,1034 8.913,1035 1,1036 10.933,1037 2.584,1038 6.608,1039 8.223,1040 0.268,1041 12.726,1042 6.32,1043 10.322,1044 1,1045 12.721,1046 2.232,1047 8.093,1048 10.092,1049 0.908,1050 15.381,1051 7.754,1052 11.757,1053 0.621,1054 14.536,1055 2.136,1056 8.936,1057 11.293,1058 0.188,1059 17.535,1060 8.548,1061 13.212,1062 0.408,1063 16.368,1064 1.746,1065 10.21,1066 12.947,1067 0.694,1068 20.024,1069 9.775,1070 3.259,1071 -0.37,1072 18.214,1073 1.085,1074 11.226,1075 14.327,1076 0.125,1077 22.319,1078 10.742,1079 3.066,1080 11.265,1081 20.07,1082 -1.036,1083 12.42,1084 15.896,1085 0.523,1086 24.749,1087 11.89,1088 2.709,1089 10.654,1090 21.934,1091 4.621,1092 13.513,1093 17.353,1094 0.082,1095 27.104,1096 12.936,1097 2.453,1098 8.561,1099 23.804,1100 4.445,1101 14.679,1102 18.889,1103 0.389,1104 29.516,1105 14.057,1106 2.238,1107 7.794,1108 25.679,1109 3.409,1110 15.808,1111 20.38,1112 0.054,1113 31.898,1114 15.138,1115 1.772,1116 7.011,1117 27.559,1118 3.138,1119 16.967,1120 21.903,1121 0.287,1122 34.303,1123 16.252,1124 1.55,1125 4.833,1126 29.443,1127 2.734,1128 18.112,1129 23.409,1130 0.035,1131 36.698,1132 17.351,1133 7755,1134 12866,1135 21.383,1136 31.915,1137 48.066,1138 47.925,1139 48.401,1140 47.753,1141 47.748,1142 63.188,1143 4.849,1144 142.043,1145 44.533,1146 5.675,1147 5.364,1148 6.601,1149 5.331,1150 5.259,1151 7.621,1152 1.72,1153 18.536,1154 5.106,1155 9.466,1156 1.551,1157 1.546,1158 1.561,1159 1.54,1160 1.54,1161 2.038,1162 0.156,1163 4.582,1164 1.437,1165 4.149,1166 4.182,1167 4.341,1168 4.09,1169 6.451,1170 4.07,1171 4.007,1172 4.034,1173 4.056,1174 3.956,1175 5.128,1176 3.934,1177 3.735,1178 3.784,1179 3.658,1180 3.532,1181 4.971,1182 3.542,1183 3.512,1184 3.567,1185 3.454,1186 3.317,1187 4.611,1188 3.331,1189 3.345,1190 3.413,1191 3.252,1192 3.164,1193 4.402,1194 3.175,1195 3.129,1196 3.206,1197 3.136,1198 3.011,1199 4.233,1200 2.995,1201 3.111,1202 3.182,1203 2.89,1204 2.941,1205 3.971,1206 2.91,1207 2.959,1208 3.013,1209 2.866,1210 2.756,1211 3.774,1212 2.773,1213 0.151,1214 0.109,1215 0.219,1216 0.136,1217 0.105,1218 4.675,1219 0.149,1220 3.364,1221 0.028,1222 6.799,1223 0.363,1224 4.201,1225 0.1,1226 3.259,1227 4.621,1228 0.86,1229 11.265,1230 3.106,1231 1.975,1232 1.952,1233 2.038,1234 2.077,1235 1.224,1236 2.065,1237 1.791,1238 1.757,1239 1.929,1240 1.964,1241 1.169,1242 1.959,1243 1.646,1244 1.617,1245 1.821,1246 1.815,1247 1.015,1248 1.816,1249 1.57,1250 1.533,1251 1.683,1252 1.744,1253 0.865,1254 1.749,1255 1.307,1256 1.232,1257 1.513,1258 1.616,1259 0.825,1260 1.574,1261 1.153,1262 1.064,1263 1.449,1264 1.376,1265 0.486,1266 1.429,1267 1.111,1268 1.056,1269 1.273,1270 1.273,1271 0.416,1272 1.314,1273 1.021,1274 0.969,1275 1.222,1276 1.187,1277 0.296,1278 1.208,1279 4.143,1281 5.493,1282 3.045,1283 7.041,1284 5.352,1285 8.683,1286 7.434,1287 10.375,1289 1.777,1294 10.042,1295 2.965,1297 5.505,1299 -0.525,1300 2.245,1305 30.411,1306 79.053,1307 185.455,1308 221.329,1309 229.329,1310 229.329,1311 229.329,1312 35.939,1313 7.963,1314 87.16,1315 115.4,1316 28,1317 12.826,1318 4.392,1319 3.459,1320 35.391,1321 90,1322 78,1323 0.2,1324 185.734,1325 301.83,1326 444.95,1327 29905,1329 18.38,1330 0.681,1331 0.58,1332 18.734,1333 15.662,1334 13.204,1335 0.426,1336 0.315,1337 8.877,1338 12.194,1339 8.631,1340 7.051,1341 13.612,1342 9.769,1343 12.142,1344 0.27,1345 0.172,1346 12.758,1347 7.73,1348 10.7,1349 0.167,1350 0.095,1351 11.625,1352 6.111,1353 9.408,1354 0.105,1355 0.05,1356 10.298,1357 4.464,1358 7.836,1359 0.066,1360 0.026,1361 8.649,1362 3.109,1363 0.3,1364 87.226,1365 0.216,1366 25.158,1367 0.592,1368 152,1369 431.659,1370 192.347,1371 435.119,1372 610.24,1373 412,1374 185,1375 445.202,1376 227.28,1377 463.76,1378 692.74,1379 439,1380 7.553}
{0 CHEMBL1083508,1 1.69,2 8.25,3 3.264,4 10.652,5 109.512,6 8.072,7 0.625,8 4.028,9 4.139,10 3.714,11 3.592,12 5.104,13 3.564,14 4.582,15 4.743,16 4.15,17 4.023,18 5.64,19 3.981,20 4.798,21 4.972,22 4.237,23 4.148,24 5.847,25 4.071,26 4.848,27 5.069,28 4.133,29 4.163,30 5.799,31 4.051,32 4.764,33 4.976,34 4.112,35 4.101,36 5.78,37 4.007,38 4.699,39 4.863,40 4.139,41 4.107,42 5.76,43 4.037,44 4.777,45 4.968,46 4.065,47 4.125,48 5.747,49 4.032,50 4.832,51 5.022,52 3.977,53 4.122,54 5.775,55 3.994,56 0.078,57 0.781,58 9.833,59 4.573,60 11.403,61 5.479,62 0.267,63 1.292,64 20.454,65 7.91,66 23.277,67 9.503,68 0.462,69 1.555,70 29.601,71 9.743,72 39.583,73 11.865,74 0.306,75 1.645,76 35.344,77 11.821,78 31.199,79 14.635,80 0.445,81 1.536,82 29.488,83 10.01,84 37.637,85 12.623,86 0.342,87 1.471,88 25.903,89 8.988,90 27.447,91 10.795,92 0.359,93 1.512,94 25.357,95 9.555,96 25.908,97 12.08,98 0.264,99 1.487,100 29.098,101 11.388,102 33.892,103 14.373,104 11,105 48,106 0.283,107 0.663,108 0.784,109 0.811,110 0.811,111 0.811,112 3.376,113 0.949,114 -3.65,115 -3.62,116 -3.45,119 40.8,120 2,125 4,130 1,142 4,143 2,145 1,146 1,147 1,149 1,152 3,168 1,172 4,174 2,175 4,180 4,183 6,186 1,187 9,192 4,195 6,198 1,199 7,204 1,207 1,211 3,212 6,215 3,220 3,224 6,227 2,232 3,236 2,237 4,240 1,242 2,245 4,250 3,255 3,258 5,263 3,266 1,268 1,271 2,275 1084,276 18.919,277 18.919,278 18.919,279 18.919,280 18.919,281 16.786,282 16.783,283 10.927,284 19.553,285 15.859,286 15.859,287 15.859,288 15.859,289 15.859,290 12.487,291 24.597,292 5.223,293 16.937,294 3.924,295 1.651,296 0.929,297 0.766,298 0.766,299 0.766,300 4.085,304 1,305 1,306 514,307 3.24,310 109.193,311 202.508,314 199.219,318 1.196,319 24.559,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 231,332 4.705,333 3.72,334 7.143,335 4.319,336 3.384,337 4.629,338 0.86,339 11.893,340 3.158,341 4.541,342 3.298,343 6.765,344 4.144,345 3.178,346 4.451,347 0.8,348 11.073,349 3.08,350 4.277,351 3.089,352 6.615,353 3.96,354 3.009,355 3.581,356 0.765,357 10.538,358 2.837,359 3.784,360 2.713,361 5.799,362 3.435,363 2.507,364 3.222,366 7.948,367 2.328,368 3.692,369 2.379,370 5.721,371 3.313,372 2.365,373 2.956,375 7.648,376 2.234,377 3.054,378 2.235,379 4.715,380 2.709,381 1.795,382 2.327,384 4.879,385 1.635,386 3.037,387 1.62,388 4.671,389 2.537,390 1.568,391 2.292,393 4.74,394 1.529,395 3.015,396 1.551,397 4.465,398 2.481,399 1.545,400 2.098,402 4.044,403 1.427,404 2.679,405 1.544,406 4.054,407 2.195,408 1.283,409 1.74,411 3.547,412 1.149,413 2.5,414 1.355,415 3.765,416 2.1,417 1.241,418 1.5,420 2.957,421 1.053,422 2.393,423 1.256,424 3.427,425 1.97,426 1,427 1.381,428 2.232,429 0.968,430 2.029,431 1,432 3.392,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 0.683,440 3.247,441 1.537,442 0.624,443 0.859,445 1.761,446 0.56,447 1.871,448 0.426,449 3.137,450 1.33,451 0.408,452 0.594,454 1.086,455 0.374,456 1.031,457 -0.255,458 2.821,459 0.564,460 -0.367,461 -0.476,463 -1.036,464 -0.337,465 13.5,466 0.482,467 0.84,468 0.03,469 35.5,470 1.268,471 16.5,472 0.589,473 19,474 0.679,475 26.845,476 0.959,477 29.7,478 0.606,479 25.056,480 0.895,481 6.566,482 0.235,483 6.938,484 0.248,485 0.099,486 0.037,487 0.326,493 0.894,494 1.207,495 0.725,496 0.941,497 0.965,498 0.884,499 1.148,500 0.979,501 0.771,502 0.775,503 0.811,504 0.745,505 1.285,506 1.187,507 1.062,508 1.065,509 1.445,510 0.998,511 0.735,512 1.182,513 1.215,514 1.19,515 0.736,516 0.968,517 0.681,518 0.924,519 1.079,520 0.996,521 0.615,522 0.917,523 0.956,524 1.188,525 1.249,526 1.221,527 0.889,528 1.104,529 0.973,530 0.951,531 1.06,532 1.031,533 0.845,534 1.128,535 0.983,536 1.245,537 1.128,538 1.345,539 1.269,540 1.348,541 6,542 0.102,543 3.556,544 1.75,545 1.689,546 1.129,547 0.935,548 0.553,549 0.367,550 0.253,551 9088,552 23742,553 2.168,554 42.9,556 12,558 1,559 2,561 6,564 1.72,565 2.036,566 3.064,567 0.282,568 1,569 1,573 82.834,574 1.69,575 3.963,576 4.686,577 4.849,578 4.849,579 4.849,580 2.297,581 4.423,582 4.78,583 3.245,584 1226.43,585 8.362,586 15653.3,588 1,590 1,591 275.121,592 1.526,593 4.738,594 0.188,595 0.008,596 0.074,597 0.037,598 0.037,599 0.025,600 0.02,601 0.013,602 0.01,603 0.011,604 0.423,605 0.5,606 0.88,607 0.689,608 136.539,609 -0.032,610 -0.066,611 0.069,612 0.026,613 -0.134,614 0.032,615 -0.084,616 0.108,617 0.143,618 0.199,619 0.064,620 0.182,621 -0.137,622 -0.133,623 -0.011,624 -0.021,625 -0.181,626 -0.05,627 -0.009,628 -0.135,629 -0.03,630 -0.06,631 0.016,632 0.048,633 0.124,634 0.161,635 -0.016,636 0.039,637 0.123,638 0.05,639 -0.057,640 -0.046,641 -0.213,642 -0.174,643 -0.061,644 -0.172,645 -0.085,646 0.116,647 -0.185,648 -0.095,649 -0.087,650 -0.193,651 -0.077,652 -0.3,653 -0.195,654 -0.328,655 -0.134,656 -0.343,657 2.168,658 4.507,659 0.857,660 22.908,661 1.006,662 1.126,663 2.42,664 5.857,665 0.687,666 3.497,667 3.892,668 4.205,669 4.533,670 4.812,671 5.004,672 5.226,673 5.438,674 5.553,675 5.666,676 5.556,677 0.652,678 395.53,679 3.497,680 5.081,681 5.964,682 6.882,683 7.787,684 8.71,685 9.624,686 10.549,687 11.469,688 12.396,689 10.2,695 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 49,733 20,734 1,735 32,737 53,738 20,739 13,740 3,741 3,746 5,747 7,752 2,761 13,762 7,763 1,778 1,781 21,782 6,783 2,784 8,785 1,790 5,794 0.6,795 2,798 1,803 1,806 1,811 2,812 3,815 2,838 1,839 1,840 3,842 1,844 2,848 28,853 1,854 4,856 1,859 1,860 1,865 1,870 4.1,871 1,874 1,877 13.75,878 9.5,879 5.833,880 2.943,881 3.971,882 1.495,883 0.989,884 4.343,885 11.997,886 3.761,887 4.449,888 5.137,889 5.833,890 6.416,891 6.913,892 7.444,893 7.974,894 8.333,895 8.783,896 0.667,897 47,898 10.375,900 4.563,901 7.622,902 20.06,904 17.166,905 2.122,906 59.417,909 1,910 223.651,911 126.084,912 70.021,914 53.683,916 31.278,917 94.806,918 277.334,919 70.021,920 17.65,921 13.396,922 80.588,923 73.005,924 39.065,925 6.576,926 243.158,928 223.651,929 164.827,930 53.683,931 31.278,933 155.352,934 70.627,935 53.683,937 58.901,938 53.364,939 50.234,940 31.278,941 223.651,942 123.705,943 126.084,946 223.651,947 61.481,948 67.727,949 16.663,950 103.917,951 223.651,952 123.705,953 126.084,955 0.599,956 0.347,957 0.191,958 0.108,959 27,960 11,961 0.057,962 3,963 2,964 1.167,965 3.856,966 269.911,967 0.167,968 24,969 128.606,970 1,974 17.983,975 6.763,976 3.21,977 3.806,978 107.042,979 9.774,980 13.98,981 3.005,983 1.558,984 3.397,986 59.346,987 473.439,988 42,999 49.309,1000 55.152,1001 0.301,1002 0.706,1003 0.835,1004 0.864,1005 0.864,1006 0.864,1007 5.037,1008 1.545,1009 5.999,1010 4.74,1011 4.575,1012 5.136,1013 1.528,1014 6.899,1015 4.45,1016 6.285,1017 1.283,1018 7.615,1019 4.044,1020 4.369,1021 5.112,1022 0.325,1023 8.089,1024 4.2,1025 7.634,1026 1.241,1027 9.342,1028 3.547,1029 6.293,1030 7.468,1031 1.175,1032 11.164,1033 6.063,1034 9.025,1035 1,1036 11.135,1037 2.957,1038 6.909,1039 8.298,1040 0.268,1041 13.139,1042 6.628,1043 10.449,1044 1,1045 12.969,1046 2.232,1047 8.346,1048 10.139,1049 0.908,1050 15.78,1051 8.011,1052 11.898,1053 0.624,1054 14.83,1055 2.136,1056 9.296,1057 11.349,1058 0.188,1059 18.036,1060 8.906,1061 13.364,1062 0.408,1063 16.71,1064 1.761,1065 10.564,1066 12.991,1067 0.694,1068 20.542,1069 10.121,1070 3.384,1071 -0.367,1072 18.602,1073 1.086,1074 11.651,1075 14.371,1076 0.125,1077 22.908,1078 11.151,1079 3.178,1080 11.893,1081 20.505,1082 -1.036,1083 12.861,1084 15.934,1085 0.523,1086 25.37,1087 12.306,1088 3.009,1089 11.073,1090 22.415,1091 4.629,1092 14.006,1093 17.39,1094 0.082,1095 27.781,1096 13.393,1097 2.507,1098 10.538,1099 24.331,1100 4.451,1101 15.198,1102 18.924,1103 0.389,1104 30.23,1105 14.528,1106 2.365,1107 7.948,1108 26.251,1109 3.581,1110 16.369,1111 20.414,1112 0.054,1113 32.661,1114 15.639,1115 1.795,1116 7.648,1117 28.176,1118 3.222,1119 17.558,1120 21.936,1121 0.287,1122 35.108,1123 16.77,1124 1.568,1125 4.879,1126 30.104,1127 2.956,1128 18.741,1129 23.442,1130 0.035,1131 37.549,1132 17.892,1133 8458,1134 13809,1135 21.671,1136 33.676,1137 50.402,1138 49.831,1139 49.83,1140 49.801,1141 49.812,1142 65.26,1143 4.849,1144 152.964,1145 46.554,1146 5.705,1147 5.72,1148 6.945,1149 5.453,1150 5.384,1151 7.629,1152 1.72,1153 19.196,1154 5.158,1155 11.683,1156 1.575,1157 1.557,1158 1.557,1159 1.556,1160 1.557,1161 2.039,1162 0.152,1163 4.78,1164 1.455,1165 4.152,1166 4.184,1167 4.344,1168 4.095,1169 6.449,1170 4.073,1171 4.011,1172 4.038,1173 4.056,1174 3.959,1175 5.128,1176 3.939,1177 3.743,1178 3.793,1179 3.665,1180 3.544,1181 4.971,1182 3.556,1183 3.585,1184 3.639,1185 3.487,1186 3.404,1187 4.611,1188 3.412,1189 3.357,1190 3.424,1191 3.318,1192 3.177,1193 4.404,1194 3.189,1195 3.149,1196 3.206,1197 3.169,1198 3.04,1199 4.248,1200 3.026,1201 3.111,1202 3.196,1203 2.896,1204 2.941,1205 3.986,1206 2.91,1207 2.959,1208 3.013,1209 2.866,1210 2.761,1211 3.887,1212 2.778,1213 0.147,1214 0.116,1215 0.223,1216 0.135,1217 0.106,1218 4.705,1219 0.145,1220 3.72,1221 0.027,1222 7.143,1223 0.372,1224 4.319,1225 0.099,1226 3.384,1227 4.629,1228 0.86,1229 11.893,1230 3.158,1231 1.975,1232 1.952,1233 2.038,1234 2.077,1235 1.224,1236 2.065,1237 1.791,1238 1.757,1239 1.929,1240 1.964,1241 1.169,1242 1.959,1243 1.709,1244 1.682,1245 1.89,1246 1.858,1247 1.085,1248 1.874,1249 1.584,1250 1.541,1251 1.695,1252 1.772,1253 0.866,1254 1.762,1255 1.307,1256 1.232,1257 1.513,1258 1.617,1259 0.825,1260 1.574,1261 1.153,1262 1.113,1263 1.449,1264 1.376,1265 0.49,1266 1.429,1267 1.15,1268 1.064,1269 1.417,1270 1.278,1271 0.469,1272 1.315,1273 1.021,1274 0.969,1275 1.253,1276 1.239,1277 0.416,1278 1.308,1279 4.174,1281 5.549,1282 3.045,1283 7.114,1284 5.352,1285 8.765,1286 7.445,1287 10.464,1289 3.597,1294 10.507,1295 2.943,1297 5.521,1300 2.247,1301 -0.918,1305 31.938,1306 82.834,1307 194.208,1308 229.611,1309 237.611,1310 237.611,1311 237.611,1312 40.832,1313 8.026,1314 87.16,1315 115.4,1316 28,1317 12.901,1318 4.392,1319 3.459,1320 37.267,1321 95,1322 82,1323 0.199,1324 195.326,1325 319.13,1326 468.355,1327 31962,1329 19.303,1330 0.689,1331 0.592,1332 19.656,1333 16.584,1334 13.504,1335 0.422,1336 0.316,1337 9.228,1338 12.509,1339 8.897,1340 7.303,1341 13.912,1342 10.118,1343 13.201,1344 0.275,1345 0.178,1346 13.801,1347 8.543,1348 10.946,1349 0.166,1350 0.097,1351 11.931,1352 6.426,1353 9.526,1354 0.104,1355 0.05,1356 10.446,1357 4.605,1358 7.985,1359 0.065,1360 0.027,1361 8.827,1362 3.246,1363 0.299,1364 88.953,1365 0.215,1366 25.913,1367 0.589,1368 160,1369 439.659,1370 201.011,1371 445.461,1372 624.6,1373 420,1374 194,1375 459.959,1376 238.283,1377 480.866,1378 715.45,1379 453,1380 7.658}
{0 CHEMBL1083809,1 1.751,2 12.303,3 2.501,4 6.256,5 131.56,6 8.011,7 0.432,8 4.23,9 4.342,10 4.016,11 3.781,12 5.215,13 3.73,14 4.828,15 5.005,16 4.34,17 4.197,18 5.968,19 4.129,20 5.063,21 5.262,22 4.367,23 4.346,24 6.051,25 4.243,26 5.124,27 5.352,28 4.297,29 4.365,30 6.072,31 4.229,32 5.1,33 5.341,34 4.279,35 4.35,36 6.029,37 4.199,38 4.945,39 5.142,40 4.271,41 4.315,42 5.861,43 4.183,44 4.945,45 5.142,46 4.238,47 4.265,48 5.914,49 4.14,50 4.994,51 5.229,52 4.194,53 4.223,54 5.904,55 4.086,56 0.11,57 1.004,58 15.673,59 5.998,60 16.649,61 7.269,62 0.588,63 1.639,64 31.074,65 10.267,66 59.642,67 12.535,68 0.666,69 1.983,70 44.462,71 13.054,72 58.079,73 16.448,74 0.535,75 1.998,76 44.565,77 14.966,78 68.319,79 19.198,80 0.738,81 1.939,82 49.098,83 15.485,84 69.059,85 19.189,86 0.418,87 1.839,88 41.256,89 13.809,90 29.954,91 16.721,92 0.402,93 1.754,94 35.601,95 12.46,96 41.348,97 15.484,98 0.463,99 1.758,100 39.697,101 13.052,102 40.069,103 16.846,104 18,105 54,106 0.281,107 0.586,108 0.727,109 0.798,110 0.798,111 0.798,112 3.532,113 1.111,114 -2.8,115 -2.81,116 -2.72,119 36.1,124 1,125 9,142 5,143 1,144 1,146 1,147 1,149 1,152 2,163 1,164 1,165 1,172 4,174 5,175 3,180 2,183 5,185 2,186 2,187 9,192 2,195 2,197 2,198 1,199 7,204 1,207 1,209 1,211 4,212 2,220 3,223 2,224 5,226 2,227 2,232 4,236 1,237 3,245 2,249 1,250 8,252 1,253 1,255 1,260 1,262 3,263 4,268 1,273 1,275 1892,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 27.761,283 12.839,284 22.902,285 18.321,286 18.321,287 18.321,288 18.321,289 18.321,290 14.91,291 38.164,292 6.185,293 19.699,294 4.18,295 2.278,296 1.4,297 0.963,298 0.963,299 0.963,300 4.239,305 1,306 889,307 3.464,310 73.858,311 401.281,314 137.361,318 1.888,319 36.167,322 1,323 0.67,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.83,330 72,331 406,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.638,342 3.335,343 6.753,344 4.15,345 3.223,346 4.51,347 0.86,348 11.114,349 2.985,350 4.153,351 3.014,352 6.107,353 3.746,354 2.779,355 3.777,356 0.8,357 8.938,358 2.685,359 3.863,360 2.841,361 5.866,362 3.584,363 2.664,364 3.242,365 0.4,366 8.286,367 2.442,368 3.664,369 2.71,370 5.477,371 3.373,372 2.449,373 3.037,374 0.172,375 7.274,376 2.262,377 3.545,378 2.417,379 5.049,380 3.24,381 2.28,382 2.685,384 6.117,385 2.182,386 3.213,387 2.314,388 4.95,389 2.884,390 1.954,391 2.351,393 5.701,394 1.8,395 3.013,396 2.213,397 4.683,398 2.65,399 1.743,400 2.117,402 4.816,403 1.572,404 2.869,405 1.95,406 4.551,407 2.451,408 1.547,409 2.007,411 4.581,412 1.39,413 2.685,414 1.548,415 4.373,416 2.324,417 1.389,418 1.676,420 4.07,421 1.29,422 2.5,423 1.432,424 3.755,425 2.097,426 1.234,427 1.5,428 2.943,429 1.053,430 2.388,431 1.256,432 3.414,433 2,434 1,435 1.375,436 2.275,437 1,438 2,439 1.146,440 3.414,441 1.967,442 1,443 1,445 2.275,446 0.965,447 2,448 1,449 3.399,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.94,457 0.643,458 3.247,459 1.423,460 0.557,461 0.754,463 1.615,464 0.473,465 16.067,466 0.487,467 0.98,468 0.03,469 40.75,470 1.235,471 18,472 0.545,473 22.75,474 0.689,475 32.547,476 0.986,477 36.733,478 0.602,479 31.116,480 0.943,481 7.556,482 0.229,483 8.309,484 0.252,485 0.098,486 0.052,487 0.293,493 0.703,494 1.521,495 0.788,496 1.199,497 0.718,498 0.998,499 1.032,500 1.019,501 0.954,502 0.867,503 0.549,504 0.831,505 1.189,506 1.135,507 1.191,508 1.109,509 1.066,510 1.033,511 0.931,512 1.086,513 0.961,514 1.004,515 1.116,516 1.036,517 0.856,518 0.841,519 1.088,520 0.927,521 0.965,522 0.866,523 0.636,524 1.128,525 1.307,526 1.344,527 0.39,528 1.161,529 0.944,530 1.181,531 0.938,532 1.039,533 0.846,534 1.184,535 0.754,536 1.054,537 0.928,538 1.052,539 0.529,540 1.058,541 8,542 0.178,543 3.778,544 2.132,545 1.56,546 1.511,547 0.797,548 0.487,549 0.414,550 0.343,551 15712,552 44331,553 2.123,554 45.9,556 26,559 2,564 1.755,565 1.99,566 3.556,567 0.282,573 106.797,574 1.751,575 3.653,576 4.531,577 4.968,578 4.968,579 4.968,580 3.048,581 4.476,582 5.01,583 3.766,584 1988.53,585 8.795,586 29507.1,591 361.775,592 1.521,593 4.972,594 0.216,595 0.006,596 0.07,597 0.04,598 0.032,599 0.031,600 0.016,601 0.011,602 0.01,603 0.009,604 0.441,605 0.33,606 0.63,607 0.675,608 174.61,609 0.044,610 -0.275,611 0.182,612 -0.085,613 -0.135,614 0.003,615 0.044,616 0.123,617 0.026,618 0.133,619 0.246,620 0.111,621 -0.162,622 -0.05,623 -0.14,624 -0.066,625 -0.106,626 -0.064,627 -0.08,628 -0.097,629 -0.023,630 -0.026,631 -0.106,632 -0.038,633 0.006,634 0.159,635 0.002,636 0.142,637 -0.072,638 0.15,639 0.019,641 -0.176,642 -0.182,643 0.015,644 -0.126,645 -0.112,646 -0.122,647 -0.09,648 -0.098,649 -0.119,650 -0.209,651 0.014,652 -0.046,653 0.016,654 -0.079,655 0.039,656 -0.063,657 4.044,658 4.798,659 0.818,660 37.556,661 1.008,662 1.132,663 1.567,664 2.455,665 0.673,666 3.638,667 4.007,668 4.263,669 4.543,670 4.828,671 4.99,672 5.198,673 5.384,674 5.529,675 5.71,676 7.332,677 0.63,678 488.7,679 3.638,680 5.209,681 6.066,682 6.963,683 7.84,684 8.742,685 9.629,686 10.535,687 11.428,688 12.336,689 9.8,692 2,693 1,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,722 1,726 1,731 61,733 18,734 1,735 37,737 65,738 22,739 12,740 2,741 4,746 5,747 6,761 12,762 10,766 2,769 1,771 2,781 28,782 9,783 2,784 11,785 2,790 6,794 0.8,795 3,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 33,849 1,852 1,854 9,856 1,859 3,865 1,870 4.9,873 2,874 1,877 16.583,878 11.083,879 6.944,880 3.574,881 3.01,882 1.364,883 1.017,884 6.555,885 11.285,886 3.871,887 4.508,888 5.02,889 5.626,890 6.202,891 6.635,892 7.141,893 7.623,894 7.967,895 8.368,896 1,897 53,898 12.405,900 5.515,901 7.725,902 23.863,904 20.434,905 2.225,906 73.417,910 306.049,911 130.428,912 74.235,914 55.313,916 37.085,917 93.343,918 361.361,919 74.235,920 7.19,921 23.925,922 86.086,923 88.884,924 18.182,925 4.432,926 337.326,928 306.049,929 167.578,930 55.313,931 37.085,933 308.377,934 44.313,935 11,937 30.712,938 100.968,939 39.378,940 31.278,941 306.049,942 129.548,943 130.428,945 5.807,946 306.049,947 70.049,948 62.339,950 121.781,951 306.049,952 129.548,953 130.428,955 0.595,956 0.333,957 0.173,958 0.1,959 28,960 12,961 0.077,962 5,963 1,964 1.074,965 4.372,966 318.373,967 0.074,968 27,969 152.465,970 1,973 1,974 22.936,975 9.431,976 5.151,977 2.022,978 129.548,979 9.788,980 9.847,983 1.723,984 4.492,986 32.897,987 566.025,988 47,991 -3.127,993 23.596,999 61.465,1000 69.025,1001 0.295,1002 0.616,1003 0.764,1004 0.838,1005 0.838,1006 0.838,1007 5.147,1008 1.743,1009 6.089,1010 5.701,1011 4.691,1012 5.196,1013 1.661,1014 6.938,1015 4.551,1016 6.377,1017 1.547,1018 7.676,1019 4.816,1020 4.443,1021 5.293,1022 0.57,1023 8.044,1024 4.221,1025 7.725,1026 1.389,1027 9.369,1028 4.581,1029 6.365,1030 7.499,1031 1.271,1032 11.079,1033 6.091,1034 9.112,1035 1.234,1036 11.128,1037 4.07,1038 6.909,1039 8.412,1040 0.581,1041 12.996,1042 6.549,1043 10.535,1044 1,1045 12.93,1046 2.943,1047 8.35,1048 10.169,1049 1.026,1050 15.608,1051 7.937,1052 11.983,1053 1,1054 14.762,1055 2.275,1056 9.242,1057 11.419,1058 0.515,1059 17.838,1060 8.741,1061 13.451,1062 1,1063 16.617,1064 2.275,1065 10.506,1066 13.02,1067 0.841,1068 20.323,1069 9.945,1070 3.314,1071 0.557,1072 18.488,1073 2.136,1074 11.554,1075 14.415,1076 0.441,1077 22.676,1078 10.909,1079 3.223,1080 11.657,1081 20.374,1082 1.615,1083 12.754,1084 15.957,1085 0.689,1086 25.122,1087 12.042,1088 2.779,1089 11.114,1090 22.27,1091 4.577,1092 13.873,1093 17.416,1094 0.373,1095 27.524,1096 13.079,1097 2.664,1098 8.938,1099 24.174,1100 4.51,1101 15.054,1102 18.937,1103 0.564,1104 29.962,1105 14.188,1106 2.449,1107 8.286,1108 26.086,1109 3.777,1110 16.205,1111 20.424,1112 0.314,1113 32.384,1114 15.26,1115 2.28,1116 7.274,1117 28.004,1118 3.242,1119 17.381,1120 21.938,1121 0.461,1122 34.821,1123 16.362,1124 1.954,1125 6.117,1126 29.927,1127 3.037,1128 18.548,1129 23.438,1130 0.264,1131 37.253,1132 17.451,1133 14759,1134 24942,1135 24.849,1136 41.068,1137 56.322,1138 57.77,1139 56.929,1140 56.417,1141 56.366,1142 71.325,1143 6.298,1144 167.867,1145 52.337,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.577,1152 1.776,1153 18.903,1154 5.077,1155 16.004,1156 1.522,1157 1.561,1158 1.539,1159 1.525,1160 1.523,1161 1.928,1162 0.17,1163 4.537,1164 1.415,1165 4.11,1166 4.133,1167 4.722,1168 4.075,1169 7.716,1170 4.034,1171 4.004,1172 4,1173 4.337,1174 3.953,1175 6.999,1176 3.831,1177 3.87,1178 3.897,1179 3.861,1180 3.826,1181 5.132,1182 3.808,1183 3.738,1184 3.786,1185 3.656,1186 3.536,1187 5.009,1188 3.544,1189 3.639,1190 3.672,1191 3.59,1192 3.47,1193 4.613,1194 3.447,1195 3.315,1196 3.37,1197 3.354,1198 3.167,1199 4.49,1200 3.168,1201 3.111,1202 3.206,1203 2.962,1204 2.941,1205 4.34,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.179,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.124,1220 4.375,1221 0.025,1222 7.111,1223 0.315,1224 4.248,1225 0.083,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.944,1232 1.915,1233 2.025,1234 2.066,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.219,1242 2.053,1243 1.779,1244 1.743,1245 1.926,1246 1.951,1247 1.091,1248 1.951,1249 1.629,1250 1.611,1251 1.731,1252 1.791,1253 0.989,1254 1.82,1255 1.574,1256 1.538,1257 1.602,1258 1.741,1259 0.861,1260 1.759,1261 1.402,1262 1.38,1263 1.519,1264 1.511,1265 0.831,1266 1.562,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.836,1286 6.843,1287 10.5,1289 1.277,1293 5.864,1295 6.255,1297 5.551,1300 6.129,1305 38.442,1306 106.797,1307 222.807,1308 276.391,1309 303.02,1310 303.02,1311 303.02,1312 58.69,1313 8.275,1314 104.89,1315 141.51,1316 29,1317 12.856,1318 4.248,1319 3.459,1320 47.716,1321 146,1322 141,1323 0.161,1324 239.36,1325 405.57,1326 575.797,1327 44798,1329 23.001,1330 0.697,1331 0.613,1332 23.605,1333 20.238,1334 15.864,1335 0.429,1336 0.37,1337 11.072,1338 13.947,1339 10.59,1340 8.644,1341 17.167,1342 13.697,1343 15.394,1344 0.285,1345 0.214,1346 17.423,1347 11.577,1348 12.298,1349 0.176,1350 0.121,1351 13.842,1352 8.472,1353 10.256,1354 0.11,1355 0.067,1356 11.71,1357 6.214,1358 8.624,1359 0.07,1360 0.036,1361 9.885,1362 4.422,1363 0.253,1364 113.057,1365 0.201,1366 30.586,1367 0.445,1368 182,1369 528.465,1370 260.172,1371 545.504,1372 744.13,1373 508,1374 215,1375 506.793,1376 299.809,1377 559.837,1378 820.29,1379 524,1380 6.62}
{0 CHEMBL1083810,1 1.79,2 12.303,3 1.89,4 3.571,5 129.716,6 8.161,7 0.432,8 4.221,9 4.334,10 4.02,11 3.755,12 5.224,13 3.712,14 4.818,15 4.997,16 4.345,17 4.168,18 5.98,19 4.109,20 5.044,21 5.243,22 4.369,23 4.316,24 6.046,25 4.221,26 5.1,27 5.324,28 4.3,29 4.342,30 6.073,31 4.211,32 5.083,33 5.322,34 4.281,35 4.333,36 6.02,37 4.185,38 4.935,39 5.133,40 4.276,41 4.292,42 5.867,43 4.164,44 4.93,45 5.127,46 4.248,47 4.223,48 5.919,49 4.111,50 4.969,51 5.208,52 4.195,53 4.169,54 5.907,55 4.049,56 0.128,57 1.011,58 15.028,59 5.727,60 17.757,61 6.905,62 0.651,63 1.627,64 30.467,65 9.795,66 62.918,67 11.909,68 0.727,69 1.94,70 43.442,71 12.312,72 60.806,73 15.494,74 0.629,75 1.95,76 43.127,77 14.389,78 74.023,79 18.344,80 0.765,81 1.896,82 48.308,83 15.161,84 69.763,85 18.772,86 0.471,87 1.818,88 40.734,89 13.414,90 31.774,91 16.197,92 0.458,93 1.728,94 34.96,95 11.62,96 44.197,97 14.623,98 0.539,99 1.699,100 37.876,101 11.772,102 43.48,103 15.454,104 18,105 54,106 0.288,107 0.594,108 0.751,109 0.815,110 0.815,111 0.815,112 3.532,113 1.099,114 -2.66,115 -2.68,116 -2.6,119 35,124 1,125 9,142 3,143 1,145 1,146 1,147 2,149 1,152 2,163 1,164 1,165 1,172 2,174 5,175 5,177 1,178 1,180 1,183 2,185 1,186 2,187 8,192 1,197 1,198 3,199 5,204 1,207 1,209 1,211 4,212 1,220 2,223 3,224 5,226 2,227 2,232 2,236 1,237 4,245 1,249 1,250 6,252 1,253 1,255 1,260 1,262 5,263 2,268 1,273 1,275 1892,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 27.761,283 12.839,284 22.969,285 18.321,286 18.321,287 18.321,288 18.321,289 18.321,290 14.91,291 38.164,292 6.185,293 19.802,294 4.117,295 2.221,296 1.242,297 0.846,298 0.846,299 0.846,300 4.239,305 1,306 889,307 3.464,310 73.858,311 401.281,314 137.361,318 1.888,319 38.039,322 1,323 0.67,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.83,330 72.5,331 406,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.638,342 3.335,343 6.753,344 4.15,345 3.223,346 4.51,347 0.86,348 11.114,349 2.983,350 4.153,351 3.014,352 6.107,353 3.738,354 2.779,355 3.777,356 0.8,357 8.938,358 2.661,359 3.863,360 2.841,361 5.866,362 3.583,363 2.664,364 3.242,365 0.4,366 8.286,367 2.442,368 3.664,369 2.71,370 5.477,371 3.371,372 2.449,373 3.037,374 0.172,375 7.274,376 2.254,377 3.545,378 2.417,379 5.049,380 3.214,381 2.28,382 2.685,384 6.117,385 2.127,386 3.213,387 2.314,388 4.95,389 2.882,390 1.954,391 2.351,393 5.701,394 1.799,395 3.013,396 2.213,397 4.683,398 2.65,399 1.743,400 2.117,402 4.816,403 1.572,404 2.869,405 1.95,406 4.551,407 2.45,408 1.547,409 2.007,411 4.581,412 1.388,413 2.685,414 1.548,415 4.373,416 2.32,417 1.389,418 1.676,420 4.07,421 1.286,422 2.5,423 1.432,424 3.755,425 2.096,426 1.234,427 1.5,428 2.943,429 1.052,430 2.388,431 1.256,432 3.414,433 1.967,434 1,435 1.375,436 2.275,437 0.965,438 2,439 1.146,440 3.414,441 1.959,442 1,443 1,445 2.275,446 0.956,447 2,448 1,449 3.399,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.94,457 0.643,458 3.247,459 1.422,460 0.557,461 0.754,463 1.615,464 0.472,465 15.967,466 0.484,467 0.98,468 0.03,469 41.25,470 1.25,471 18,472 0.545,473 23.25,474 0.705,475 32.216,476 0.976,477 36.833,478 0.614,479 31.447,480 0.953,481 7.637,482 0.231,483 8.228,484 0.249,485 0.098,486 0.052,487 0.294,493 0.718,494 1.589,495 0.779,496 1.224,497 0.716,498 1.005,499 1.028,500 1.006,501 0.948,502 0.856,503 0.545,504 0.814,505 1.207,506 1.136,507 1.198,508 1.106,509 1.064,510 1.022,511 0.911,512 1.032,513 0.973,514 1.009,515 1.115,516 1.049,517 0.818,518 0.876,519 1.082,520 0.96,521 0.943,522 0.888,523 0.622,524 1.123,525 1.301,526 1.359,527 0.391,528 1.169,529 0.945,530 1.255,531 0.923,532 1.071,533 0.858,534 1.192,535 0.824,536 1.044,537 0.881,538 0.987,539 0.571,540 1.014,541 8,542 0.178,543 3.778,544 2.132,545 1.56,546 1.511,547 0.797,548 0.487,549 0.414,550 0.343,551 15712,552 46029,553 2.123,554 45,556 24,558 1,559 2,564 1.755,565 1.99,566 3.556,567 0.312,573 107.386,574 1.79,575 3.686,576 4.665,577 5.061,578 5.061,579 5.061,580 3.048,581 4.476,582 5.01,583 3.766,584 1988.53,585 8.795,586 29507.1,591 354.413,592 1.521,593 4.972,594 0.216,595 0.006,596 0.07,597 0.04,598 0.032,599 0.031,600 0.016,601 0.011,602 0.01,603 0.009,604 0.441,605 0.33,606 0.63,607 0.675,608 174.61,609 0.027,610 -0.327,611 0.18,612 -0.104,613 -0.13,614 -0.008,615 0.037,616 0.135,617 0.028,618 0.144,619 0.254,620 0.123,621 -0.187,622 -0.051,623 -0.147,624 -0.057,625 -0.109,626 -0.053,627 -0.061,628 -0.04,629 -0.034,630 -0.022,631 -0.102,632 -0.046,633 0.018,634 0.11,635 0.009,636 0.126,637 -0.064,638 0.144,639 0.036,640 0.005,641 -0.172,642 -0.187,643 0.021,644 -0.129,645 -0.107,646 -0.196,647 -0.074,648 -0.131,649 -0.121,650 -0.22,651 -0.018,652 -0.04,653 0.039,654 -0.046,655 0.024,656 -0.034,657 4.049,658 4.793,659 0.818,660 37.556,661 1.011,662 1.135,663 1.429,664 2.043,665 0.672,666 3.638,667 4.007,668 4.263,669 4.543,670 4.828,671 4.99,672 5.198,673 5.384,674 5.529,675 5.71,676 7.332,677 0.632,678 489.69,679 3.638,680 5.209,681 6.066,682 6.963,683 7.84,684 8.742,685 9.629,686 10.535,687 11.428,688 12.336,689 11.7,692 2,693 1,695 1,699 3,703 2,704 4,705 3,708 1,709 5,711 16,722 1,726 1,731 60,733 18,735 37,737 64,738 21,739 11,746 5,747 6,761 11,762 10,766 2,769 1,771 2,781 27,782 10,783 2,784 12,785 2,790 7,794 0.8,795 3,805 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 33,849 1,852 1,854 9,856 1,859 3,865 1,870 5,873 2,874 1,877 16.583,878 10.95,879 6.944,880 3.496,881 3.01,882 1.364,883 1.015,884 6.511,885 11.285,886 3.871,887 4.508,888 5.02,889 5.626,890 6.202,891 6.635,892 7.141,893 7.623,894 7.967,895 8.368,896 1,897 53,898 12.393,900 5.511,901 7.755,902 23.733,904 20.242,905 2.255,906 74.417,910 294.278,911 120.094,912 91.021,914 55.313,916 37.085,917 83.009,918 349.59,919 91.021,920 7.19,921 23.925,922 67.133,923 117.441,924 24.472,925 6.76,926 313.784,928 294.278,929 174.03,930 55.313,931 37.085,933 296.605,934 44.313,935 11,937 39.759,938 81.586,939 56.164,940 31.278,941 294.278,942 146.334,943 120.094,945 5.807,946 294.278,947 69.62,948 52.434,950 138.567,951 294.278,952 146.334,953 120.094,955 0.595,956 0.333,957 0.173,958 0.1,959 28,960 12,961 0.078,962 5,963 1,964 1.074,965 4.372,966 318.373,967 0.074,968 27,969 156.465,970 1,973 1,974 22.874,975 9.393,976 5.126,977 1.974,978 146.334,979 7.477,980 13.964,983 1.707,984 4.025,986 32.897,987 560.705,988 47,991 -3.132,993 23.587,999 60.683,1000 68.108,1001 0.303,1002 0.624,1003 0.79,1004 0.857,1005 0.857,1006 0.857,1007 5.147,1008 1.743,1009 6.089,1010 5.701,1011 4.691,1012 5.196,1013 1.661,1014 6.938,1015 4.54,1016 6.377,1017 1.547,1018 7.676,1019 4.816,1020 4.443,1021 5.293,1022 0.57,1023 8.044,1024 4.213,1025 7.725,1026 1.389,1027 9.369,1028 4.581,1029 6.365,1030 7.499,1031 1.271,1032 11.079,1033 6.074,1034 9.112,1035 1.234,1036 11.128,1037 4.07,1038 6.909,1039 8.412,1040 0.581,1041 12.996,1042 6.536,1043 10.535,1044 1,1045 12.93,1046 2.943,1047 8.35,1048 10.169,1049 1.026,1050 15.608,1051 7.917,1052 11.983,1053 1,1054 14.762,1055 2.275,1056 9.242,1057 11.419,1058 0.515,1059 17.838,1060 8.727,1061 13.451,1062 1,1063 16.617,1064 2.275,1065 10.506,1066 13.02,1067 0.841,1068 20.323,1069 9.926,1070 3.314,1071 0.557,1072 18.488,1073 2.136,1074 11.554,1075 14.415,1076 0.441,1077 22.676,1078 10.894,1079 3.223,1080 11.657,1081 20.374,1082 1.615,1083 12.754,1084 15.957,1085 0.689,1086 25.122,1087 12.024,1088 2.779,1089 11.114,1090 22.27,1091 4.577,1092 13.873,1093 17.416,1094 0.373,1095 27.524,1096 13.064,1097 2.664,1098 8.938,1099 24.174,1100 4.51,1101 15.054,1102 18.937,1103 0.564,1104 29.962,1105 14.171,1106 2.449,1107 8.286,1108 26.086,1109 3.777,1110 16.205,1111 20.424,1112 0.314,1113 32.384,1114 15.245,1115 2.28,1116 7.274,1117 28.004,1118 3.242,1119 17.381,1120 21.938,1121 0.461,1122 34.821,1123 16.347,1124 1.954,1125 6.117,1126 29.927,1127 3.037,1128 18.548,1129 23.438,1130 0.264,1131 37.253,1132 17.436,1133 14759,1134 25414,1135 24.849,1136 40.313,1137 56.322,1138 57.77,1139 56.929,1140 56.416,1141 56.366,1142 71.325,1143 6.298,1144 167.867,1145 52.052,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.577,1152 1.776,1153 18.903,1154 5.021,1155 16.004,1156 1.522,1157 1.561,1158 1.539,1159 1.525,1160 1.523,1161 1.928,1162 0.17,1163 4.537,1164 1.407,1165 4.107,1166 4.131,1167 4.722,1168 4.072,1169 7.716,1170 4.028,1171 4.004,1172 4,1173 4.337,1174 3.953,1175 6.999,1176 3.829,1177 3.842,1178 3.88,1179 3.843,1180 3.755,1181 5.187,1182 3.751,1183 3.738,1184 3.786,1185 3.654,1186 3.535,1187 5.013,1188 3.543,1189 3.638,1190 3.671,1191 3.59,1192 3.469,1193 4.614,1194 3.446,1195 3.31,1196 3.367,1197 3.347,1198 3.15,1199 4.543,1200 3.155,1201 3.111,1202 3.206,1203 2.961,1204 2.941,1205 4.357,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.192,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.124,1220 4.375,1221 0.025,1222 7.111,1223 0.315,1224 4.248,1225 0.083,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.911,1232 1.878,1233 1.983,1234 2.061,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.967,1240 2.04,1241 1.217,1242 2.04,1243 1.75,1244 1.709,1245 1.907,1246 1.942,1247 1.007,1248 1.935,1249 1.627,1250 1.61,1251 1.72,1252 1.787,1253 0.985,1254 1.818,1255 1.569,1256 1.532,1257 1.601,1258 1.74,1259 0.842,1260 1.751,1261 1.402,1262 1.38,1263 1.516,1264 1.511,1265 0.825,1266 1.562,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.821,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.836,1286 6.843,1287 10.5,1289 1.272,1293 5.753,1295 6.156,1297 5.541,1300 6.093,1305 37.936,1306 107.386,1307 221.155,1308 279.884,1309 303.659,1310 303.659,1311 303.659,1312 58.577,1313 8.275,1314 117.78,1315 154.4,1316 29,1317 12.856,1318 4.248,1319 3.459,1320 47.716,1321 146,1322 141,1323 0.161,1324 236.562,1325 399.27,1326 568.97,1327 44798,1329 23.001,1330 0.697,1331 0.609,1332 23.605,1333 20.108,1334 15.864,1335 0.429,1336 0.366,1337 10.915,1338 13.877,1339 10.45,1340 8.521,1341 17.167,1342 13.557,1343 15.394,1344 0.285,1345 0.212,1346 17.423,1347 11.426,1348 12.298,1349 0.176,1350 0.119,1351 13.842,1352 8.348,1353 10.256,1354 0.11,1355 0.066,1356 11.71,1357 6.12,1358 8.624,1359 0.07,1360 0.035,1361 9.885,1362 4.345,1363 0.253,1364 113.511,1365 0.201,1366 30.586,1367 0.445,1368 182,1369 548.11,1370 261.948,1371 562.635,1372 766.45,1373 524,1374 215,1375 523.258,1376 301.474,1377 575.073,1378 842.19,1379 538,1380 8.26}
{0 CHEMBL1083912,1 1.608,2 11.886,3 3.693,4 13.64,5 133.551,6 7.859,7 0.538,8 4.218,9 4.327,10 3.829,11 3.732,12 5.398,13 3.739,14 4.721,15 4.883,16 4.226,17 4.117,18 5.872,19 4.121,20 4.862,21 5.009,22 4.296,23 4.244,24 6.069,25 4.238,26 5.004,27 5.172,28 4.263,29 4.323,30 6.13,31 4.277,32 5.035,33 5.23,34 4.308,35 4.323,36 6.146,37 4.276,38 5.084,39 5.281,40 4.32,41 4.357,42 6.168,43 4.309,44 5.071,45 5.246,46 4.363,47 4.335,48 6.287,49 4.295,50 5.089,51 5.28,52 4.258,53 4.274,54 6.232,55 4.224,56 0.119,57 0.897,58 11.315,59 5.213,60 11.679,61 6.295,62 0.387,63 1.403,64 21.91,65 8.376,66 30.711,67 10.715,68 0.487,69 1.599,70 24.652,71 9.361,72 44.759,73 11.455,74 0.498,75 1.798,76 29.348,77 11.436,78 50.906,79 14.264,80 0.549,81 1.798,82 32,83 12.286,84 54.069,85 16.315,86 0.491,87 1.857,88 34.076,89 13.114,90 53.542,91 17.153,92 0.813,93 1.83,94 32.6,95 12.482,96 76.716,97 16.237,98 0.797,99 1.767,100 35.206,101 12.855,102 70.224,103 16.447,104 56,105 58,106 0.256,107 0.666,108 0.805,109 0.878,110 0.878,111 0.878,112 3.589,113 0.849,114 -2.87,115 -2.88,116 -2.79,119 43.3,120 2,124 3,135 1,136 1,142 6,143 3,144 4,146 1,152 3,157 1,159 1,166 1,172 6,175 13,178 2,179 1,180 3,183 9,187 10,190 1,192 4,195 9,198 2,199 8,204 4,207 10,211 2,212 9,215 1,216 1,217 4,220 10,224 7,227 1,229 3,232 9,236 4,237 7,240 2,241 1,242 2,245 8,249 2,250 7,253 3,255 5,258 7,263 7,266 1,268 3,271 7,275 2348,276 23.497,277 23.497,278 23.497,279 23.497,280 23.497,281 20.43,282 29.118,283 13.253,284 23.978,285 19.077,286 19.077,287 19.077,288 19.077,289 19.077,290 14.206,291 38.692,292 6.152,293 19.705,294 4.299,295 1.729,296 0.855,297 0.396,298 0.396,299 0.396,300 4.289,305 1,306 903,307 3.742,310 222.28,311 184.373,314 273.097,318 1.851,319 35.707,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 76.5,331 416,332 4.728,333 3.542,334 7.037,335 4.34,336 3.359,337 4.603,338 1.656,339 12.062,340 3.295,341 4.617,342 3.507,343 6.7,344 4.164,345 3.178,346 4.396,347 0.86,348 10.814,349 3.131,350 4.386,351 3.254,352 6.541,353 3.973,354 2.998,355 4.072,356 0.6,357 10.22,358 2.922,359 3.911,360 3.12,361 5.707,362 3.543,363 2.574,364 3.374,365 0.247,366 7.653,367 2.486,368 3.803,369 2.763,370 5.601,371 3.384,372 2.43,373 3.204,375 7.348,376 2.317,377 3.576,378 2.511,379 5.363,380 3.173,381 2.191,382 2.866,384 6.672,385 2.139,386 3.387,387 2.28,388 5.256,389 3.016,390 2.064,391 2.647,393 6.382,394 1.955,395 3.332,396 2.125,397 5.151,398 2.9,399 1.92,400 2.566,402 5.735,403 1.874,404 3.257,405 2.05,406 4.867,407 2.813,408 1.837,409 2.537,411 5.243,412 1.786,413 3.107,414 1.96,415 4.797,416 2.687,417 1.72,418 2.287,420 5.015,421 1.66,422 3.002,423 1.661,424 4.695,425 2.581,426 1.594,427 2.179,428 4.794,429 1.571,430 2.678,431 1.517,432 4.425,433 2.218,434 1.245,435 1.707,436 3.709,437 1.21,438 2.43,439 1.105,440 3.734,441 1.851,442 0.883,443 1.281,445 2.301,446 0.851,447 2.198,448 1.1,449 3.488,450 1.736,451 0.768,452 1.065,454 1.907,455 0.739,456 1.711,457 1.03,458 3.08,459 1.413,460 0.52,461 0.593,463 0.943,464 0.459,465 16.333,466 0.467,467 1.045,468 0.03,469 47.75,470 1.364,471 24.5,472 0.7,473 23.25,474 0.664,475 31.079,476 0.888,477 37.067,478 0.618,479 41.544,480 1.187,481 9.739,482 0.278,483 7.061,484 0.202,485 0.194,487 0.453,493 0.866,494 1.233,495 0.746,496 1.046,497 0.787,498 0.899,499 0.897,500 0.958,501 0.651,502 0.766,503 0.586,504 0.672,505 1.176,506 1.037,507 0.965,508 0.92,509 1.001,510 0.89,511 1.133,512 1.088,513 1.149,514 1.122,515 1.137,516 1.133,517 0.769,518 1.012,519 0.844,520 1.008,521 0.86,522 0.952,523 0.926,524 1.03,525 0.872,526 1.018,527 0.885,528 0.951,529 0.757,530 1.084,531 0.924,532 1.126,533 0.71,534 1.07,535 1.108,536 1.035,537 1.019,538 1.089,539 0.912,540 1.058,541 8,542 0.234,543 4.444,544 3.944,545 2.037,546 1.664,547 1.266,548 0.961,549 0.681,550 0.324,551 16560,552 46607,553 2.072,554 41.7,556 16,559 3,560 6,564 1.773,565 1.892,566 3.453,567 0.82,573 96.496,574 1.608,575 4.177,576 5.052,577 5.511,578 5.511,579 5.511,580 2.915,581 5.072,582 5.097,583 3.678,584 2188.25,585 8.988,586 32885.4,591 354.413,592 1.519,593 5.038,594 0.205,595 0.008,596 0.077,597 0.065,598 0.036,599 0.028,600 0.021,601 0.016,602 0.013,603 0.008,604 0.475,605 0.33,606 0.75,607 1.14,608 186.218,609 -0.054,610 -0.073,611 0.046,612 -0.026,613 -0.124,614 0.019,615 0.031,616 0.135,617 0.243,618 0.223,619 0.098,620 0.267,621 -0.136,622 0.069,623 -0.081,624 0.06,625 -0.047,626 0.021,627 -0.175,628 -0.026,629 -0.247,630 -0.131,631 -0.158,632 -0.19,633 0.094,634 -0.003,635 0.093,636 -0.001,637 0.022,638 0.037,639 -0.027,640 -0.047,641 0.076,642 -0.003,643 -0.006,644 0.048,645 0.267,646 -0.074,647 0.015,648 -0.127,649 0.208,650 -0.106,651 0.061,652 -0.084,653 -0.028,654 -0.09,655 0.059,656 -0.083,657 2.019,658 5.037,659 0.657,660 36.322,661 1.011,662 1.125,663 1.643,664 2.7,665 0.674,666 3.689,667 4.078,668 4.419,669 4.745,670 4.997,671 5.176,672 5.429,673 5.642,674 5.756,675 5.883,676 7.023,677 0.654,678 471.56,679 3.689,680 5.273,681 6.163,682 7.081,683 7.993,684 8.918,685 9.839,686 10.769,687 11.696,688 12.628,689 8.3,696 2,697 1,698 1,699 1,703 2,704 6,705 1,707 1,709 9,710 1,711 21,714 1,728 1,729 1,731 60,733 24,734 2,735 39,737 64,738 26,739 17,740 6,741 6,742 3,746 5,747 7,751 1,752 2,761 21,762 5,766 3,771 1,773 1,774 1,775 3,780 1,781 25,782 8,783 3,784 9,790 5,794 0.6,795 4,803 1,811 3,812 2,815 2,831 1,832 1,840 3,844 5,848 35,853 1,855 2,856 1,870 6.7,872 1,873 1,875 2,877 18.5,878 12.633,879 7.611,880 3.379,881 5.19,882 1.602,883 0.994,884 5.908,885 13.809,886 3.98,887 4.673,888 5.344,889 6.006,890 6.561,891 7.01,892 7.571,893 8.112,894 8.53,895 9.002,896 0.875,897 61,898 12.912,900 5.569,901 7.795,902 24.312,904 19.916,905 2.295,906 80.333,910 258.964,911 157.378,912 71.247,914 88.336,917 157.378,918 347.3,919 71.247,920 45.326,921 36.022,922 66.334,923 87.248,924 64.713,925 17.318,926 258.964,928 258.964,929 228.624,930 88.336,933 258.964,934 88.336,937 74.991,938 127.494,939 26.139,941 258.964,942 159.582,943 157.378,946 258.964,947 45.718,948 113.437,949 36.022,950 121.784,951 258.964,952 159.582,953 157.378,955 0.595,956 0.364,957 0.195,958 0.108,959 30,960 15,961 0.063,962 4,963 2,964 1.174,965 4.333,966 358.224,967 0.174,968 23,969 179.525,974 23.208,975 8.91,976 4.006,977 0.981,978 157.806,979 10.781,980 4.557,982 6.007,984 5.918,985 1.827,986 78.705,987 575.924,988 52.5,993 11.686,995 1.789,996 4.911,997 1.184,999 60.654,1000 67.481,1001 0.272,1002 0.707,1003 0.855,1004 0.933,1005 0.933,1006 0.933,1007 5.254,1008 1.92,1009 6.188,1010 6.382,1011 4.762,1012 5.361,1013 2.079,1014 7.076,1015 4.705,1016 6.515,1017 1.837,1018 7.799,1019 5.735,1020 4.511,1021 5.359,1022 1.195,1023 8.098,1024 4.434,1025 7.866,1026 1.72,1027 9.506,1028 5.243,1029 6.438,1030 7.674,1031 2.529,1032 11.246,1033 6.337,1034 9.254,1035 1.594,1036 11.266,1037 5.015,1038 6.986,1039 8.478,1040 2.324,1041 13.101,1042 6.866,1043 10.672,1044 1.245,1045 13.062,1046 4.794,1047 8.419,1048 10.294,1049 3.278,1050 15.785,1051 8.283,1052 12.112,1053 0.883,1054 14.884,1055 3.709,1056 9.324,1057 11.473,1058 3.407,1059 17.993,1060 9.169,1061 13.571,1062 0.768,1063 16.725,1064 2.301,1065 10.583,1066 13.096,1067 4.165,1068 20.522,1069 10.414,1070 3.359,1071 0.52,1072 18.582,1073 1.907,1074 11.645,1075 14.451,1076 4.464,1077 22.877,1078 11.458,1079 3.178,1080 12.062,1081 20.452,1082 0.943,1083 12.846,1084 15.996,1085 5.114,1086 25.354,1087 12.644,1088 2.998,1089 10.814,1090 22.333,1091 4.603,1092 13.975,1093 17.431,1094 5.504,1095 27.77,1096 13.755,1097 2.574,1098 10.22,1099 24.222,1100 4.396,1101 15.159,1102 18.947,1103 6.092,1104 30.234,1105 14.923,1106 2.43,1107 7.653,1108 26.119,1109 4.072,1110 16.318,1111 20.419,1112 6.531,1113 32.676,1114 16.065,1115 2.191,1116 7.348,1117 28.022,1118 3.374,1119 17.499,1120 21.925,1121 7.084,1122 35.139,1123 17.229,1124 2.064,1125 6.672,1126 29.929,1127 3.204,1128 18.673,1129 23.414,1130 7.551,1131 37.595,1132 18.385,1133 15839,1134 26735,1135 25.49,1136 40.46,1137 60.261,1138 61.724,1139 63.656,1140 59.448,1141 59.538,1142 79.82,1143 6.726,1144 183.225,1145 57.682,1146 5.577,1147 5.542,1148 6.588,1149 5.38,1150 5.359,1151 7.603,1152 2.912,1153 19.753,1154 5.295,1155 21.137,1156 1.545,1157 1.583,1158 1.632,1159 1.524,1160 1.527,1161 2.047,1162 0.172,1163 4.698,1164 1.479,1165 4.149,1166 4.163,1167 4.125,1168 4.053,1169 7.431,1170 4.068,1171 4.033,1172 4.058,1173 4.006,1174 3.935,1175 6.471,1176 3.948,1177 3.89,1178 3.93,1179 3.846,1180 3.754,1181 5.083,1182 3.771,1183 3.627,1184 3.677,1185 3.569,1186 3.431,1187 4.977,1188 3.451,1189 3.472,1190 3.515,1191 3.396,1192 3.252,1193 4.852,1194 3.286,1195 3.328,1196 3.378,1197 3.236,1198 3.121,1199 4.591,1200 3.14,1201 3.228,1202 3.321,1203 3.01,1204 3.037,1205 4.431,1206 3.016,1207 3.146,1208 3.229,1209 2.962,1210 2.921,1211 4.183,1212 2.921,1213 0.121,1214 0.091,1215 0.18,1216 0.111,1217 0.086,1218 4.728,1219 0.118,1220 3.542,1221 0.042,1222 7.037,1223 0.309,1224 4.34,1225 0.084,1226 3.359,1227 4.603,1228 1.656,1229 12.062,1230 3.295,1231 1.92,1232 1.903,1233 1.996,1234 2.018,1235 1.139,1236 2.01,1237 1.879,1238 1.865,1239 1.96,1240 1.961,1241 1.104,1242 1.961,1243 1.739,1244 1.712,1245 1.86,1246 1.876,1247 1.02,1248 1.869,1249 1.549,1250 1.507,1251 1.753,1252 1.798,1253 0.81,1254 1.784,1255 1.49,1256 1.428,1257 1.698,1258 1.753,1259 0.733,1260 1.732,1261 1.43,1262 1.357,1263 1.644,1264 1.672,1265 0.688,1266 1.659,1267 1.196,1268 1.13,1269 1.56,1270 1.504,1271 0.584,1272 1.522,1273 1.16,1274 1.123,1275 1.528,1276 1.382,1277 0.57,1278 1.438,1279 4.369,1281 5.74,1282 3.434,1283 7.294,1284 5.938,1285 8.932,1286 8.116,1287 10.618,1289 9,1294 11.037,1296 5.206,1297 5.449,1305 39.234,1306 96.496,1307 250.649,1308 303.129,1309 330.639,1310 330.639,1311 330.639,1312 62.099,1313 8.619,1314 114.44,1315 114.44,1316 27,1317 13.129,1318 4.644,1319 3.858,1320 51.915,1321 142,1322 186,1323 0.175,1324 238.032,1325 411.44,1326 572.558,1327 69953,1329 24.853,1330 0.71,1331 0.573,1332 24.853,1333 20.055,1334 16.799,1335 0.431,1336 0.283,1337 10.845,1338 16.009,1339 10.425,1340 8.713,1341 16.799,1342 11.043,1343 15.644,1344 0.27,1345 0.143,1346 15.644,1347 8.301,1348 13.997,1349 0.171,1350 0.075,1351 13.997,1352 6.175,1353 11.708,1354 0.103,1355 0.038,1356 11.708,1357 4.32,1358 9.579,1359 0.065,1360 0.02,1361 9.579,1362 2.889,1363 0.269,1364 106.324,1365 0.198,1366 31.586,1367 0.495,1368 194,1369 590.957,1370 215.201,1371 567.061,1372 790.79,1373 532,1374 237,1375 605.778,1376 258.675,1377 611.668,1378 901.06,1379 574,1380 9.398}
{0 CHEMBL1084926,1 1.753,2 8.808,3 1.616,4 2.61,5 100.807,6 8.098,7 0.552,8 3.961,9 4.079,10 3.64,11 3.474,12 5.077,13 3.456,14 4.504,15 4.678,16 4.072,17 3.887,18 5.627,19 3.851,20 4.712,21 4.89,22 4.162,23 4.016,24 5.816,25 3.948,26 4.756,27 4.988,28 4.006,29 4.036,30 5.735,31 3.912,32 4.643,33 4.852,34 4.001,35 3.99,36 5.622,37 3.89,38 4.612,39 4.776,40 4.067,41 3.979,42 5.751,43 3.91,44 4.698,45 4.907,46 3.9,47 3.92,48 5.705,49 3.841,50 4.678,51 4.894,52 3.701,53 3.84,54 5.698,55 3.735,56 0.091,57 0.755,58 9.378,59 4.044,60 13.588,61 4.964,62 0.371,63 1.197,64 19.668,65 7.121,66 31.155,67 8.669,68 0.517,69 1.419,70 27.819,71 8.228,72 44.138,73 10.361,74 0.46,75 1.452,76 33.703,77 10.586,78 41.318,79 13.198,80 0.33,81 1.327,82 26.758,83 9.276,84 26.414,85 11.894,86 0.417,87 1.352,88 24.094,89 8.144,90 30.595,91 9.899,92 0.423,93 1.333,94 25.631,95 7.524,96 32.603,97 10.376,98 0.356,99 1.18,100 23.284,101 8.543,102 45.051,103 11.415,104 18,105 43,106 0.301,107 0.664,108 0.777,109 0.777,110 0.777,111 0.777,112 3.305,113 0.95,114 -2.96,115 -2.96,116 -2.86,119 37,120 2,125 4,130 1,142 1,143 1,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,174 3,175 5,177 2,178 2,180 2,183 2,186 1,187 3,192 2,195 4,198 5,199 3,204 1,207 1,209 1,211 1,212 2,215 1,220 1,223 2,224 7,226 2,227 4,236 1,237 4,242 1,245 2,252 1,253 1,255 1,260 1,262 2,263 6,266 3,268 1,273 1,275 952,276 17.212,277 17.212,278 17.212,279 17.212,280 17.212,281 15.46,282 19.945,283 9.953,284 17.939,285 14.354,286 14.354,287 14.354,288 14.354,289 14.354,290 11.589,291 27.097,292 4.796,293 15.587,294 3.77,295 1.653,296 0.989,297 0.989,298 0.989,299 0.989,300 3.999,303 1,304 1,305 1,306 496,307 3.162,310 54.497,311 210.939,314 99.15,318 1.299,319 27.363,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 229,332 4.688,333 3.72,334 7.143,335 4.316,336 3.382,337 4.595,338 0.86,339 11.887,340 3.149,341 4.325,342 3.283,343 6.708,344 4.053,345 3.114,346 3.803,347 0.8,348 10.854,349 2.917,350 4.1,351 2.841,352 6.104,353 3.708,354 2.756,355 3.5,356 0.765,357 8.922,358 2.621,359 3.699,360 2.654,361 5.773,362 3.404,363 2.48,364 3.051,366 7.862,367 2.288,368 3.644,369 2.352,370 5.045,371 3.174,372 2.267,373 2.955,375 6.097,376 2.054,377 3.015,378 2.235,379 4.711,380 2.708,381 1.795,382 2.169,384 4.877,385 1.633,386 2.965,387 1.611,388 4.536,389 2.422,390 1.524,391 2.09,393 4.509,394 1.358,395 2.654,396 1.542,397 4.344,398 2.173,399 1.259,400 1.708,402 3.821,403 1.133,404 2.5,405 1.322,406 3.754,407 2.092,408 1.23,409 1.5,411 2.942,412 1.047,413 2.385,414 1.256,415 3.414,416 1.952,417 1,418 1.372,420 2.275,421 0.946,422 2,423 1,424 3.399,425 1.917,426 1,427 1,428 2.136,429 0.916,430 1.939,431 0.63,432 3.247,433 1.421,434 0.552,435 0.751,436 1.605,437 0.471,438 1.171,439 -0.049,440 2.831,441 0.747,442 -0.167,443 -0.212,445 -0.382,446 -0.152,447 0.927,448 -0.264,449 2.676,450 0.503,451 -0.411,452 -0.502,454 -1.121,455 -0.373,456 0.576,457 -0.36,458 2.6,459 0.112,460 -0.814,461 -0.966,463 -2.096,464 -0.744,465 12.4,466 0.477,467 0.843,468 0.032,469 33.25,470 1.279,471 15,472 0.577,473 18.25,474 0.702,475 23.996,476 0.923,477 28.4,478 0.617,479 23.199,480 0.892,481 6.098,482 0.235,483 6.317,484 0.243,485 0.14,486 0.04,487 0.315,493 0.993,494 1.415,495 0.743,496 1.008,497 1.084,498 0.924,499 1.074,500 0.872,501 0.753,502 0.751,503 0.702,504 0.721,505 1.337,506 1.265,507 1.094,508 1.109,509 1.375,510 1.026,511 0.69,512 0.929,513 1.275,514 1.173,515 0.74,516 0.974,517 0.578,518 1.136,519 1.032,520 1.128,521 0.484,522 0.972,523 0.829,524 1.189,525 1.274,526 1.343,527 0.75,528 1.211,529 1.096,530 1.15,531 1.133,532 1.158,533 0.944,534 1.188,535 1.113,536 1.139,537 0.918,538 1.125,539 1.33,540 1.272,541 6.5,542 0.111,543 3.333,544 1.438,545 1.748,546 1.219,547 0.895,548 0.484,549 0.363,550 0.208,551 7210,552 20571,553 2.092,554 43.5,556 9,558 2,559 3,561 6,564 1.699,565 1.938,566 3.104,567 1.05,568 1,569 1,573 80.649,574 1.753,575 3.87,576 4.534,577 4.534,578 4.534,579 4.534,580 2.519,581 4.056,582 4.669,583 3.268,584 1062.25,585 8.137,586 12864.3,588 1,590 1,591 254.084,592 1.619,593 4.616,594 0.224,595 0.016,596 0.078,597 0.034,598 0.045,599 0.03,600 0.022,601 0.014,602 0.013,603 0.012,604 0.488,605 0.5,606 1,607 0.777,608 124.246,609 -0.13,610 -0.215,611 0.056,612 -0.001,613 -0.202,614 0.021,615 -0.006,616 0.233,617 0.18,618 0.246,619 0.154,620 0.221,621 -0.187,622 -0.187,623 -0.029,624 -0.038,625 -0.186,626 -0.073,627 0.044,628 0.124,629 -0.066,630 -0.002,631 0.003,632 0.058,633 0.103,634 -0.082,635 0.035,636 -0.005,637 0.123,638 0.063,639 0.059,640 -0.006,641 -0.228,642 -0.25,643 0.033,644 -0.262,645 -0.167,646 -0.087,647 -0.233,648 -0.228,649 -0.146,650 -0.255,651 -0.11,652 -0.222,653 -0.152,654 -0.252,655 -0.128,656 -0.297,657 2.182,658 4.403,659 0.808,660 22.095,661 1.011,662 1.136,663 1.726,664 2.979,665 0.672,666 3.401,667 3.784,668 4.043,669 4.331,670 4.654,671 4.828,672 5.004,673 5.193,674 5.288,675 5.318,676 5.485,677 0.64,678 372.5,679 3.401,680 4.977,681 5.838,682 6.744,683 7.633,684 8.545,685 9.447,686 10.363,687 11.272,688 12.191,689 13,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 46,733 16,735 29,737 49,738 17,739 10,746 4,747 5,752 2,761 10,762 7,763 1,777 1,778 1,781 20,782 8,783 3,784 9,785 1,790 6,794 0.75,795 2,798 1,806 2,811 1,812 3,815 1,838 1,839 1,840 3,842 1,844 2,848 26,849 1,853 1,854 4,856 1,859 1,860 1,865 1,870 4.3,871 1,874 1,877 13.417,878 8.867,879 5.444,880 2.65,881 2.996,882 1.399,883 0.955,884 4.509,885 10.505,886 3.638,887 4.287,888 4.908,889 5.555,890 6.178,891 6.632,892 7.106,893 7.594,894 7.93,895 8.261,896 0.833,897 42,898 9.607,900 4.156,901 7.74,902 18.316,904 15.254,905 2.24,906 58.25,910 200.109,911 103.884,912 103.164,914 53.683,916 31.278,917 72.607,918 253.792,919 103.164,920 17.65,921 13.396,922 85.057,923 101.684,924 28.877,925 6.331,926 207.844,928 200.109,929 175.77,930 53.683,931 31.278,933 131.81,934 70.627,935 53.683,937 53.185,938 53.115,939 67.142,940 31.278,941 200.109,942 156.847,943 103.884,946 200.109,947 58.663,948 48.346,950 153.723,951 200.109,952 156.847,953 103.884,955 0.599,956 0.333,957 0.172,958 0.107,959 23,960 10,961 0.061,962 3,963 1,964 1.095,965 3.672,966 233.067,967 0.095,968 21,969 112.211,970 1,974 17.527,975 6.689,976 3.527,977 1.764,978 156.847,979 5.166,980 17.537,983 1.522,984 3.154,986 75.581,987 460.84,988 37,999 46.527,1000 52.235,1001 0.317,1002 0.701,1003 0.821,1004 0.821,1005 0.821,1006 0.821,1007 4.913,1008 1.259,1009 5.878,1010 4.509,1011 4.466,1012 4.973,1013 1.528,1014 6.753,1015 4.308,1016 6.153,1017 1.23,1018 7.484,1019 3.821,1020 4.29,1021 4.934,1022 0.325,1023 7.934,1024 4.089,1025 7.493,1026 1,1027 9.2,1028 2.942,1029 6.172,1030 7.24,1031 1.175,1032 10.972,1033 5.882,1034 8.871,1035 1,1036 10.982,1037 2.275,1038 6.781,1039 8.005,1040 0.268,1041 12.938,1042 6.441,1043 10.28,1044 0.552,1045 12.806,1046 2.136,1047 8.204,1048 9.835,1049 0.908,1050 15.565,1051 7.787,1052 11.712,1053 -0.167,1054 14.658,1055 1.605,1056 9.142,1057 10.977,1058 0.188,1059 17.821,1060 8.666,1061 13.162,1062 -0.411,1063 16.531,1064 -0.382,1065 10.404,1066 12.614,1067 0.694,1068 20.323,1069 9.856,1070 3.382,1071 -0.814,1072 18.418,1073 -1.121,1074 11.484,1075 13.945,1076 0.125,1077 22.693,1078 10.87,1079 3.114,1080 11.887,1081 20.318,1082 -2.096,1083 12.692,1084 15.503,1085 0.523,1086 25.157,1087 12.007,1088 2.756,1089 10.854,1090 22.226,1091 4.595,1092 13.834,1093 16.929,1094 0.082,1095 27.575,1096 13.079,1097 2.48,1098 8.922,1099 24.142,1100 3.803,1101 15.027,1102 18.457,1103 0.389,1104 30.029,1105 14.201,1106 2.267,1107 7.862,1108 26.063,1109 3.5,1110 16.197,1111 19.93,1112 0.054,1113 32.468,1114 15.301,1115 1.795,1116 6.097,1117 27.99,1118 3.051,1119 17.389,1120 21.449,1121 0.287,1122 34.921,1123 16.421,1124 1.524,1125 4.877,1126 29.92,1127 2.955,1128 18.574,1129 22.946,1130 0.035,1131 37.371,1132 17.535,1133 6938,1134 11853,1135 19.186,1136 30.921,1137 45.208,1138 44.869,1139 45.187,1140 44.667,1141 44.717,1142 56.986,1143 4.849,1144 135.572,1145 41.066,1146 5.688,1147 5.72,1148 6.945,1149 5.449,1150 5.382,1151 7.595,1152 1.72,1153 19.182,1154 5.08,1155 12.994,1156 1.559,1157 1.547,1158 1.558,1159 1.54,1160 1.542,1161 1.965,1162 0.167,1163 4.675,1164 1.416,1165 4.097,1166 4.12,1167 4.342,1168 4.071,1169 6.449,1170 4.028,1171 3.817,1172 3.865,1173 3.827,1174 3.681,1175 5.244,1176 3.692,1177 3.743,1178 3.793,1179 3.65,1180 3.535,1181 5.01,1182 3.55,1183 3.566,1184 3.621,1185 3.456,1186 3.387,1187 4.616,1188 3.391,1189 3.175,1190 3.243,1191 3.242,1192 2.987,1193 4.573,1194 2.996,1195 3.111,1196 3.206,1197 2.899,1198 2.941,1199 4.258,1200 2.91,1201 2.989,1202 3.063,1203 2.866,1204 2.75,1205 3.982,1206 2.773,1207 2.874,1208 3.009,1209 2.813,1210 2.618,1211 3.962,1212 2.57,1213 0.162,1214 0.128,1215 0.246,1216 0.149,1217 0.117,1218 4.688,1219 0.158,1220 3.72,1221 0.03,1222 7.143,1223 0.41,1224 4.316,1225 0.109,1226 3.382,1227 4.595,1228 0.86,1229 11.887,1230 3.149,1231 1.888,1232 1.853,1233 1.959,1234 2.056,1235 1.217,1236 2.031,1237 1.716,1238 1.686,1239 1.892,1240 1.933,1241 1.086,1242 1.916,1243 1.699,1244 1.653,1245 1.853,1246 1.855,1247 0.943,1248 1.871,1249 1.558,1250 1.517,1251 1.65,1252 1.749,1253 0.825,1254 1.733,1255 1.153,1256 1.113,1257 1.513,1258 1.376,1259 0.744,1260 1.429,1261 1.15,1262 1.064,1263 1.417,1264 1.307,1265 0.49,1266 1.322,1267 1.002,1268 0.93,1269 1.277,1270 1.266,1271 0.469,1272 1.308,1273 0.934,1274 0.804,1275 1.21,1276 1.239,1277 0.221,1278 1.287,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.629,1286 6.88,1287 10.308,1289 3.544,1293 5.582,1294 10.403,1295 2.851,1297 5.465,1300 2.194,1301 -0.932,1305 29.433,1306 80.649,1307 178.026,1308 208.574,1309 208.574,1310 208.574,1311 208.574,1312 40.751,1313 7.509,1314 110.28,1315 138.52,1316 23,1317 12.702,1318 4.087,1319 3.17,1320 37.667,1321 85,1322 95,1323 0.223,1324 183.664,1325 304.13,1326 439.9,1327 16276,1329 18.311,1330 0.704,1331 0.594,1332 18.665,1333 15.454,1334 12.415,1335 0.428,1336 0.317,1337 8.283,1338 11.384,1339 7.971,1340 6.556,1341 12.823,1342 9.183,1343 12.272,1344 0.285,1345 0.18,1346 12.872,1347 7.736,1348 9.687,1349 0.173,1350 0.101,1351 10.673,1352 5.63,1353 7.916,1354 0.106,1355 0.052,1356 8.836,1357 3.904,1358 6.975,1359 0.067,1360 0.027,1361 7.817,1362 2.839,1363 0.335,1364 82.66,1365 0.228,1366 24.481,1367 0.656,1368 144,1369 426.283,1370 186.537,1371 430.555,1372 594.57,1373 404,1374 171,1375 429.635,1376 215.866,1377 449.841,1378 665.37,1379 422,1380 8.496}
{0 CHEMBL1085159,1 1.733,2 11.781,3 3.248,4 10.548,5 126.859,6 8.028,7 0.444,8 4.195,9 4.3,10 3.992,11 3.765,12 5.151,13 3.709,14 4.802,15 4.977,16 4.309,17 4.176,18 5.93,19 4.104,20 5.034,21 5.235,22 4.333,23 4.317,24 5.991,25 4.209,26 5.076,27 5.298,28 4.274,29 4.333,30 6.019,31 4.198,32 5.064,33 5.3,34 4.261,35 4.33,36 6.004,37 4.18,38 4.928,39 5.126,40 4.233,41 4.301,42 5.801,43 4.163,44 4.911,45 5.103,46 4.2,47 4.244,48 5.858,49 4.112,50 4.964,51 5.202,52 4.135,53 4.191,54 5.845,55 4.045,56 0.084,57 0.954,58 15.056,59 6.006,60 13.638,61 7.169,62 0.57,63 1.595,64 30.344,65 10.148,66 59.122,67 12.195,68 0.634,69 1.927,70 43.801,71 13.068,72 52.594,73 16.163,74 0.482,75 1.93,76 42.525,77 14.55,78 61.133,79 18.331,80 0.701,81 1.908,82 47.378,83 15.132,84 66.944,85 18.437,86 0.378,87 1.802,88 40.918,89 13.672,90 25.432,91 16.426,92 0.345,93 1.69,94 34.431,95 12.561,96 37.839,97 15.377,98 0.43,99 1.708,100 38.993,101 12.923,102 39.01,103 16.476,104 11,105 52,106 0.28,107 0.554,108 0.704,109 0.787,110 0.795,111 0.795,112 3.503,113 1.125,114 -3.27,115 -3.26,116 -3.12,119 37.3,124 1,125 9,142 6,143 1,146 1,147 1,149 1,152 2,172 6,174 5,175 3,183 7,186 2,187 9,195 3,198 1,199 7,207 1,211 4,212 4,220 3,223 2,224 5,232 4,236 1,237 4,245 3,249 1,250 8,258 1,262 3,263 4,275 1692,276 21.643,277 21.643,278 21.643,279 21.643,280 21.643,281 19.523,282 24.599,283 12.753,284 22.435,285 17.854,286 17.854,287 17.854,288 17.854,289 17.854,290 14.505,291 35.664,292 6.148,293 19.193,294 4.15,295 2.454,296 1.526,297 1.009,298 0.962,299 0.962,300 4.211,304 1,305 1,306 830,307 3.391,310 70.251,311 385.534,314 131.248,318 1.809,319 32.725,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 69.5,331 377,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.637,342 3.335,343 6.753,344 4.149,345 3.223,346 4.51,347 0.86,348 11.114,349 2.983,350 4.116,351 3.014,352 6.101,353 3.714,354 2.752,355 3.71,356 0.8,357 8.918,358 2.649,359 3.853,360 2.821,361 5.866,362 3.582,363 2.661,364 3.19,365 0.4,366 8.286,367 2.442,368 3.564,369 2.69,370 5.477,371 3.365,372 2.443,373 2.786,374 0.172,375 7.272,376 2.249,377 3.343,378 2.365,379 4.956,380 2.93,381 2,382 2.587,384 5.745,385 1.85,386 3.141,387 2.214,388 4.691,389 2.734,390 1.784,391 2.292,393 4.836,394 1.693,395 3.006,396 1.985,397 4.56,398 2.647,399 1.729,400 2.102,402 4.663,403 1.571,404 2.712,405 1.765,406 4.484,407 2.424,408 1.519,409 1.742,411 4.419,412 1.364,413 2.631,414 1.544,415 3.799,416 2.146,417 1.261,418 1.655,420 3.023,421 1.116,422 2.5,423 1.256,424 3.512,425 2.066,426 1.131,427 1.5,428 2.697,429 1.039,430 2.377,431 1.164,432 3.414,433 2,434 1,435 1.362,436 2.275,437 1,438 2,439 1.146,440 3.36,441 1.967,442 1,443 1,445 2.136,446 0.965,447 2,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.93,457 0.612,458 3.247,459 1.403,460 0.534,461 0.732,463 1.548,464 0.455,465 15.667,466 0.49,467 0.874,468 0.027,469 39.5,470 1.234,471 17.5,472 0.547,473 22,474 0.688,475 31.258,476 0.977,477 35.333,478 0.599,479 29.213,480 0.913,481 7.333,482 0.229,483 8.137,484 0.254,485 0.074,486 0.053,487 0.268,493 0.639,494 1.548,495 0.775,496 1.22,497 0.636,498 1.016,499 1.052,500 0.998,501 0.97,502 0.861,503 0.565,504 0.837,505 1.185,506 1.105,507 1.177,508 1.082,509 1.07,510 1.001,511 0.949,512 1.094,513 0.962,514 0.995,515 1.155,516 1.019,517 0.893,518 0.848,519 1.114,520 0.928,521 1.024,522 0.872,523 0.689,524 1.133,525 1.323,526 1.315,527 0.426,528 1.145,529 0.894,530 1.193,531 0.929,532 1.056,533 0.832,534 1.203,535 0.783,536 1.025,537 0.941,538 1.029,539 0.534,540 1.047,541 7,542 0.145,543 3.333,544 2.069,545 1.369,546 1.4,547 0.719,548 0.416,549 0.31,550 0.259,551 14533,552 40220,553 2.147,554 45.8,556 27,564 1.747,565 2.032,566 3.504,567 -0.681,569 1,573 102.222,574 1.733,575 3.429,576 4.357,577 4.874,578 4.921,579 4.921,580 2.966,581 4.226,582 4.967,583 3.719,584 1844.62,585 8.706,586 26727.4,591 347.076,592 1.438,593 4.937,594 0.194,595 0.005,596 0.064,597 0.041,598 0.029,599 0.029,600 0.015,601 0.01,602 0.008,603 0.008,604 0.403,605 0.33,606 0.75,607 0.633,608 167.486,609 0.086,610 -0.333,611 0.194,612 -0.118,613 -0.106,614 -0.02,615 0.05,616 0.144,617 0.01,618 0.123,619 0.247,620 0.091,621 -0.144,622 -0.03,623 -0.12,624 -0.048,625 -0.1,626 -0.038,627 -0.079,628 -0.099,629 -0.019,630 -0.023,631 -0.101,632 -0.031,633 -0.006,634 0.17,635 -0.02,636 0.131,637 -0.082,638 0.131,639 -0.034,640 -0.016,641 -0.192,642 -0.174,643 -0.032,644 -0.122,645 -0.082,646 -0.154,647 -0.083,648 -0.119,649 -0.105,650 -0.228,651 -0.012,652 -0.022,653 0.007,654 -0.065,655 0.026,656 -0.058,657 4.033,658 4.786,659 0.844,660 35.305,661 1.006,662 1.128,663 2.038,664 4.153,665 0.679,666 3.611,667 3.97,668 4.234,669 4.522,670 4.796,671 4.949,672 5.176,673 5.347,674 5.472,675 5.642,676 7.138,677 0.634,678 473.68,679 3.611,680 5.176,681 6.033,682 6.929,683 7.806,684 8.707,685 9.595,686 10.5,687 11.394,688 12.302,689 8.5,692 2,695 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,731 59,733 18,734 1,735 36,737 63,738 22,739 12,740 1,741 5,746 5,747 6,761 12,762 10,766 2,769 1,771 2,778 1,781 27,782 8,784 10,785 2,790 5,794 0.8,795 3,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 32,852 1,854 9,856 1,859 3,865 1,870 5.1,873 2,874 1,877 15.75,878 10.833,879 6.778,880 3.546,881 2.974,882 1.363,883 1.014,884 6.345,885 11.171,886 3.85,887 4.474,888 4.99,889 5.601,890 6.168,891 6.588,892 7.117,893 7.581,894 7.894,895 8.269,896 0.875,897 51,898 12.046,900 5.347,901 7.68,902 23.295,904 19.952,905 2.18,906 69.75,910 317.82,911 137.147,912 41.338,914 55.313,916 37.085,917 100.062,918 373.133,919 41.338,920 7.19,921 23.925,922 62.665,923 88.884,924 15.425,925 4.432,926 349.097,928 317.82,929 141.401,930 55.313,931 37.085,933 320.148,934 44.313,935 11,937 30.712,938 74.79,939 39.378,940 31.278,941 317.82,942 96.651,943 137.147,945 5.807,946 317.82,947 67.292,948 71.815,950 88.884,951 317.82,952 96.651,953 137.147,955 0.59,956 0.332,957 0.178,958 0.1,959 27,960 11,961 0.079,962 5,963 1,964 1.074,965 4.315,966 305.54,967 0.074,968 27,969 146,970 1,973 1,974 22.022,975 9.219,976 4.939,977 2.075,978 96.651,979 12.259,980 9.869,983 1.74,984 3.955,987 551.618,988 46,991 -3.117,993 23.572,999 59.363,1000 66.527,1001 0.295,1002 0.583,1003 0.741,1004 0.829,1005 0.836,1006 0.836,1007 5.118,1008 1.729,1009 6.047,1010 4.836,1011 4.654,1012 5.162,1013 1.661,1014 6.897,1015 4.512,1016 6.339,1017 1.519,1018 7.631,1019 4.663,1020 4.369,1021 5.223,1022 0.57,1023 8.009,1024 4.139,1025 7.682,1026 1.261,1027 9.325,1028 4.419,1029 6.323,1030 7.458,1031 1.271,1032 11.053,1033 6.042,1034 9.066,1035 1.131,1036 11.088,1037 3.023,1038 6.858,1039 8.362,1040 0.581,1041 12.982,1042 6.485,1043 10.49,1044 1,1045 12.895,1046 2.697,1047 8.315,1048 10.134,1049 1.026,1050 15.597,1051 7.891,1052 11.94,1053 1,1054 14.733,1055 2.275,1056 9.207,1057 11.385,1058 0.515,1059 17.833,1060 8.693,1061 13.411,1062 1,1063 16.593,1064 2.136,1065 10.479,1066 12.993,1067 0.841,1068 20.318,1069 9.907,1070 3.314,1071 0.534,1072 18.47,1073 2.136,1074 11.531,1075 14.39,1076 0.441,1077 22.673,1078 10.872,1079 3.223,1080 11.657,1081 20.359,1082 1.548,1083 12.735,1084 15.938,1085 0.689,1086 25.12,1087 12.011,1088 2.752,1089 11.114,1090 22.258,1091 4.577,1092 13.857,1093 17.398,1094 0.373,1095 27.523,1096 13.05,1097 2.661,1098 8.918,1099 24.165,1100 4.51,1101 15.04,1102 18.922,1103 0.564,1104 29.961,1105 14.162,1106 2.443,1107 8.286,1108 26.079,1109 3.71,1110 16.193,1111 20.411,1112 0.314,1113 32.383,1114 15.235,1115 2,1116 7.272,1117 27.999,1118 3.19,1119 17.371,1120 21.927,1121 0.461,1122 34.82,1123 16.34,1124 1.784,1125 5.745,1126 29.923,1127 2.786,1128 18.539,1129 23.429,1130 0.264,1131 37.252,1132 17.43,1133 13588,1134 22759,1135 24.444,1136 40.063,1137 54.773,1138 56.091,1139 54.746,1140 54.86,1141 54.794,1142 69.592,1143 6.298,1144 161.706,1145 50.884,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.577,1152 1.776,1153 18.902,1154 5.077,1155 13.538,1156 1.521,1157 1.558,1158 1.521,1159 1.524,1160 1.522,1161 1.933,1162 0.175,1163 4.492,1164 1.413,1165 4.108,1166 4.132,1167 4.722,1168 4.075,1169 7.716,1170 4.033,1171 4.004,1172 4,1173 4.337,1174 3.953,1175 6.999,1176 3.83,1177 3.855,1178 3.88,1179 3.84,1180 3.82,1181 5.049,1182 3.798,1183 3.738,1184 3.786,1185 3.653,1186 3.536,1187 4.703,1188 3.544,1189 3.638,1190 3.67,1191 3.59,1192 3.469,1193 4.61,1194 3.447,1195 3.297,1196 3.349,1197 3.33,1198 3.156,1199 4.372,1200 3.153,1201 3.111,1202 3.206,1203 2.944,1204 2.941,1205 4.201,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.966,1212 2.91,1213 0.132,1214 0.122,1215 0.198,1216 0.118,1217 0.092,1218 4.743,1219 0.127,1220 4.375,1221 0.025,1222 7.111,1223 0.324,1224 4.248,1225 0.085,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.942,1232 1.914,1233 2.034,1234 2.062,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.219,1242 2.05,1243 1.777,1244 1.741,1245 1.928,1246 1.942,1247 1.09,1248 1.946,1249 1.629,1250 1.611,1251 1.731,1252 1.785,1253 0.989,1254 1.819,1255 1.573,1256 1.537,1257 1.602,1258 1.737,1259 0.862,1260 1.754,1261 1.402,1262 1.38,1263 1.518,1264 1.51,1265 0.832,1266 1.562,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.29,1281 5.638,1282 2.398,1283 7.177,1284 4.727,1285 8.797,1286 6.843,1287 10.462,1289 1.283,1295 6.395,1297 5.551,1300 6.167,1305 37.42,1306 102.222,1307 202.308,1308 257.037,1309 287.566,1310 290.321,1311 290.321,1312 54.224,1313 8.197,1314 78.87,1315 115.49,1316 29,1317 12.822,1318 4.248,1319 3.459,1320 45.605,1321 139,1322 132,1323 0.163,1324 232.565,1325 394.57,1326 559.219,1327 40907,1329 22.131,1330 0.692,1331 0.617,1332 22.735,1333 19.738,1334 15.47,1335 0.43,1336 0.375,1337 10.882,1338 13.59,1339 10.406,1340 8.492,1341 16.773,1342 13.498,1343 14.772,1344 0.284,1345 0.218,1346 16.802,1347 11.321,1348 11.887,1349 0.175,1350 0.123,1351 13.432,1352 8.335,1353 10.104,1354 0.111,1355 0.068,1356 11.558,1357 6.169,1358 8.4,1359 0.07,1360 0.036,1361 9.661,1362 4.363,1363 0.255,1364 110.405,1365 0.202,1366 29.797,1367 0.451,1368 176,1369 511.153,1370 253.145,1371 526.903,1372 720.06,1373 492,1374 208,1375 487.948,1376 291.976,1377 539.926,1378 792.55,1379 506,1380 6.367}
{0 CHEMBL1085160,1 1.747,2 12.382,3 2.643,4 6.987,5 133.675,6 7.995,7 0.421,8 4.261,9 4.364,10 4.038,11 3.81,12 5.246,13 3.76,14 4.863,15 5.036,16 4.357,17 4.225,18 6.002,19 4.159,20 5.093,21 5.289,22 4.397,23 4.379,24 6.079,25 4.277,26 5.163,27 5.383,28 4.346,29 4.404,30 6.133,31 4.275,32 5.145,33 5.378,34 4.336,35 4.393,36 6.11,37 4.25,38 5.02,39 5.223,40 4.312,41 4.355,42 5.969,43 4.227,44 4.98,45 5.169,46 4.288,47 4.309,48 5.951,49 4.19,50 5.046,51 5.272,52 4.286,53 4.293,54 5.979,55 4.164,56 0.12,57 1.004,58 16.094,59 6.404,60 18.069,61 7.614,62 0.645,63 1.666,64 32.211,65 10.744,66 64.512,67 12.962,68 0.678,69 2.024,70 45.516,71 13.776,72 59.478,73 17.288,74 0.591,75 2.057,76 46.013,77 15.647,78 74.553,79 19.869,80 0.765,81 2.03,82 50.341,83 16.125,84 75.109,85 19.92,86 0.575,87 1.932,88 44.442,89 14.236,90 45.683,91 17.442,92 0.401,93 1.801,94 36.404,95 13.227,96 40.915,97 16.326,98 0.532,99 1.851,100 40.683,101 13.649,102 42.03,103 17.506,104 21,105 55,106 0.279,107 0.577,108 0.748,109 0.825,110 0.825,111 0.825,112 3.561,113 1.111,114 -2.74,115 -2.76,116 -2.68,119 36.5,124 1,125 10,142 5,143 2,146 1,147 1,149 1,152 2,172 6,174 5,175 3,180 1,183 7,186 2,187 9,192 2,195 3,198 1,199 7,204 2,207 1,211 4,212 4,217 1,220 3,223 2,224 5,227 2,232 4,236 1,237 4,245 3,249 1,250 8,253 1,255 1,258 1,262 3,263 4,268 1,275 2074,276 22.96,277 22.96,278 22.96,279 22.96,280 22.96,281 20.868,282 29.315,283 13.378,284 23.773,285 18.765,286 18.765,287 18.765,288 18.765,289 18.765,290 15.338,291 41.057,292 6.35,293 20.147,294 4.231,295 2.361,296 1.292,297 0.806,298 0.806,299 0.806,300 4.267,305 1,306 918,307 3.606,310 76.228,311 413.686,314 141.081,318 1.912,319 39.557,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 74.5,331 421,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.578,338 0.916,339 11.657,340 3.077,341 4.639,342 3.336,343 6.753,344 4.152,345 3.224,346 4.51,347 0.86,348 11.116,349 2.991,350 4.186,351 3.015,352 6.134,353 3.786,354 2.814,355 3.815,356 0.8,357 9.064,358 2.731,359 3.867,360 2.916,361 5.866,362 3.585,363 2.666,364 3.242,365 0.765,366 8.286,367 2.443,368 3.661,369 2.744,370 5.479,371 3.38,372 2.454,373 3.011,374 0.4,375 7.286,376 2.277,377 3.542,378 2.535,379 5.282,380 3.269,381 2.306,382 2.677,383 0.172,384 6.706,385 2.207,386 3.208,387 2.344,388 4.952,389 2.882,390 1.951,391 2.344,393 5.708,394 1.799,395 3.012,396 2.214,397 4.683,398 2.65,399 1.743,400 2.119,402 4.814,403 1.572,404 2.899,405 1.955,406 4.55,407 2.466,408 1.55,409 2.044,411 4.577,412 1.419,413 2.696,414 1.573,415 4.361,416 2.382,417 1.436,418 1.697,420 4.027,421 1.343,422 2.598,423 1.535,424 3.759,425 2.125,426 1.249,427 1.634,428 2.954,429 1.094,430 2.378,431 1.256,432 3.487,433 2.058,434 1.099,435 1.364,436 2.553,437 1.037,438 2,439 1.146,440 3.414,441 1.967,442 1,443 1,445 2.275,446 0.965,447 2,448 1.132,449 3.39,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.93,457 0.935,458 3.247,459 1.406,460 0.538,461 0.734,463 1.567,464 0.458,465 16.5,466 0.485,467 0.942,468 0.028,469 40.75,470 1.199,471 17.5,472 0.515,473 23.25,474 0.684,475 34.679,476 1.02,477 38.1,478 0.605,479 31.803,480 0.935,481 7.629,482 0.224,483 8.773,484 0.258,485 0.091,486 0.051,487 0.285,493 0.715,494 1.537,495 0.788,496 1.214,497 0.724,498 1.016,499 1.039,500 0.988,501 0.97,502 0.852,503 0.631,504 0.832,505 1.063,506 1.139,507 1.161,508 1.11,509 0.932,510 1.028,511 0.92,512 1.095,513 0.953,514 0.996,515 1.072,516 1.024,517 0.828,518 0.924,519 1.084,520 0.963,521 0.921,522 0.904,523 0.689,524 1.074,525 1.287,526 1.241,527 0.463,528 1.097,529 0.842,530 1.214,531 0.91,532 1.057,533 0.765,534 1.183,535 0.751,536 1.023,537 0.902,538 1.005,539 0.532,540 1.035,541 8,542 0.199,543 3.556,544 2.257,545 1.68,546 1.462,547 0.78,548 0.543,549 0.436,550 0.302,551 16799,552 48370,553 2.12,554 46,556 28,559 1,564 1.763,565 1.99,566 3.573,567 -0.275,573 110.036,574 1.747,575 3.616,576 4.685,577 5.172,578 5.172,579 5.172,580 3.069,581 4.418,582 5.053,583 3.785,584 2123.11,585 8.885,586 32173.4,591 376.569,592 1.501,593 5.017,594 0.211,595 0.006,596 0.065,597 0.041,598 0.032,599 0.028,600 0.015,601 0.011,602 0.009,603 0.008,604 0.426,605 0.33,606 0.63,607 0.753,608 181.483,609 0.033,610 -0.303,611 0.178,612 -0.09,613 -0.12,614 -0.005,615 0.001,616 0.162,617 0.008,618 0.146,619 0.171,620 0.109,621 -0.127,622 -0.046,623 -0.119,624 -0.065,625 -0.071,626 -0.051,627 -0.08,628 -0.095,629 -0.019,630 -0.02,631 -0.095,632 -0.028,633 0.001,634 0.098,635 -0.009,636 0.095,637 -0.062,638 0.106,639 0.005,640 0.061,641 -0.17,642 -0.117,643 0.005,644 -0.083,645 -0.075,646 -0.147,647 -0.069,648 -0.108,649 -0.088,650 -0.2,651 0.009,652 0.012,653 0.029,654 -0.04,655 0.037,656 -0.047,657 4.054,658 4.813,659 0.794,660 39.471,661 1.009,662 1.129,663 1.514,664 2.291,665 0.671,666 3.664,667 4.025,668 4.29,669 4.575,670 4.852,671 5.011,672 5.236,673 5.416,674 5.565,675 5.749,676 7.436,677 0.63,678 503.71,679 3.664,680 5.231,681 6.089,682 6.986,683 7.864,684 8.765,685 9.653,686 10.559,687 11.453,688 12.361,689 7.9,692 2,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,731 63,733 18,734 1,735 38,737 67,738 23,739 12,740 2,741 4,746 5,747 6,752 1,761 12,762 11,766 2,769 1,771 2,781 29,782 9,783 1,784 11,785 2,790 5,794 0.8,795 4,796 1,806 1,811 1,812 4,815 1,836 1,838 1,839 1,840 4,842 2,844 1,848 34,852 1,853 1,854 10,856 1,859 3,865 1,870 6.3,871 1,873 2,874 1,877 17.083,878 11.45,879 7.278,880 3.715,881 3.056,882 1.366,883 0.988,884 7.051,885 11.404,886 3.892,887 4.519,888 5.039,889 5.65,890 6.22,891 6.651,892 7.174,893 7.647,894 7.996,895 8.397,896 1,897 55,898 12.801,900 5.685,901 7.762,902 24.588,904 21.013,905 2.262,906 76.917,910 329.591,911 130.857,912 41.338,914 97.996,916 37.085,917 93.772,918 427.587,919 41.338,920 7.19,921 23.925,922 95.872,923 88.884,924 18.61,925 4.432,926 360.869,928 329.591,929 135.11,930 97.996,931 37.085,933 331.919,934 44.313,935 53.683,937 30.712,938 68.499,939 39.378,940 31.278,941 329.591,942 139.334,943 130.857,945 5.807,946 329.591,947 70.478,948 62.339,950 131.567,951 329.591,952 139.334,953 130.857,955 0.59,956 0.336,957 0.178,958 0.1,959 28,960 12,961 0.09,962 6,963 1,964 1.074,965 4.432,966 331.618,967 0.074,968 27,969 162.974,970 1,973 1,974 23.89,975 10.035,976 5.392,977 1.976,978 139.334,979 9.833,980 9.857,983 1.708,984 4.472,986 42.683,987 599.782,988 48,991 -3.137,993 23.625,999 63.574,1000 71.152,1001 0.292,1002 0.605,1003 0.784,1004 0.865,1005 0.865,1006 0.865,1007 5.165,1008 1.743,1009 6.107,1010 5.708,1011 4.71,1012 5.207,1013 1.861,1014 6.957,1015 4.571,1016 6.389,1017 1.55,1018 7.693,1019 4.814,1020 4.443,1021 5.293,1022 0.57,1023 8.061,1024 4.23,1025 7.735,1026 1.436,1027 9.386,1028 4.577,1029 6.382,1030 7.507,1031 1.446,1032 11.1,1033 6.115,1034 9.121,1035 1.249,1036 11.145,1037 4.027,1038 6.919,1039 8.417,1040 0.581,1041 13.012,1042 6.569,1043 10.544,1044 1.099,1045 12.947,1046 2.954,1047 8.366,1048 10.176,1049 1.16,1050 15.624,1051 7.963,1052 11.993,1053 1,1054 14.779,1055 2.553,1056 9.255,1057 11.426,1058 0.515,1059 17.851,1060 8.768,1061 13.461,1062 1,1063 16.632,1064 2.275,1065 10.521,1066 13.027,1067 0.937,1068 20.334,1069 9.975,1070 3.314,1071 0.538,1072 18.503,1073 2.136,1074 11.568,1075 14.422,1076 0.441,1077 22.685,1078 10.939,1079 3.224,1080 11.657,1081 20.387,1082 1.567,1083 12.769,1084 15.965,1085 0.756,1086 25.131,1087 12.073,1088 2.814,1089 11.116,1090 22.282,1091 4.578,1092 13.887,1093 17.423,1094 0.373,1095 27.531,1096 13.111,1097 2.666,1098 9.064,1099 24.186,1100 4.51,1101 15.066,1102 18.944,1103 0.609,1104 29.968,1105 14.22,1106 2.454,1107 8.286,1108 26.096,1109 3.815,1110 16.217,1111 20.43,1112 0.314,1113 32.389,1114 15.291,1115 2.306,1116 7.286,1117 28.013,1118 3.242,1119 17.393,1120 21.944,1121 0.49,1122 34.825,1123 16.393,1124 1.951,1125 6.706,1126 29.935,1127 3.011,1128 18.559,1129 23.444,1130 0.264,1131 37.257,1132 17.482,1133 15844,1134 27025,1135 25.542,1136 42.279,1137 57.461,1138 59.337,1139 58.342,1140 57.647,1141 57.634,1142 72.6,1143 7.827,1144 170.955,1145 53.552,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.578,1152 1.776,1153 18.903,1154 5.077,1155 16.327,1156 1.512,1157 1.562,1158 1.535,1159 1.517,1160 1.517,1161 1.911,1162 0.206,1163 4.499,1164 1.409,1165 4.111,1166 4.135,1167 4.722,1168 4.077,1169 7.716,1170 4.036,1171 4.005,1172 4.001,1173 4.337,1174 3.953,1175 6.999,1176 3.836,1177 3.883,1178 3.904,1179 3.873,1180 3.848,1181 6.457,1182 3.823,1183 3.738,1184 3.786,1185 3.657,1186 3.537,1187 5.045,1188 3.544,1189 3.64,1190 3.672,1191 3.59,1192 3.47,1193 4.661,1194 3.448,1195 3.336,1196 3.381,1197 3.362,1198 3.19,1199 4.609,1200 3.189,1201 3.195,1202 3.249,1203 3.055,1204 2.997,1205 4.369,1206 2.998,1207 3.111,1208 3.206,1209 2.933,1210 2.941,1211 4.199,1212 2.91,1213 0.125,1214 0.115,1215 0.187,1216 0.112,1217 0.087,1218 4.743,1219 0.12,1220 4.375,1221 0.024,1222 7.111,1223 0.307,1224 4.248,1225 0.081,1226 3.314,1227 4.578,1228 0.916,1229 11.657,1230 3.077,1231 1.955,1232 1.93,1233 2.042,1234 2.068,1235 1.334,1236 2.069,1237 1.854,1238 1.844,1239 1.972,1240 2.04,1241 1.221,1242 2.057,1243 1.788,1244 1.753,1245 1.93,1246 1.956,1247 1.154,1248 1.956,1249 1.63,1250 1.612,1251 1.736,1252 1.794,1253 0.989,1254 1.82,1255 1.576,1256 1.54,1257 1.604,1258 1.743,1259 0.876,1260 1.763,1261 1.402,1262 1.38,1263 1.526,1264 1.513,1265 0.833,1266 1.563,1267 1.193,1268 1.149,1269 1.513,1270 1.443,1271 0.825,1272 1.447,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.344,1281 5.694,1282 2.398,1283 7.233,1284 4.727,1285 8.855,1286 6.843,1287 10.52,1289 1.272,1294 9.557,1295 6.101,1297 5.554,1300 6.098,1305 39.662,1306 110.036,1307 227.798,1308 295.185,1309 325.814,1310 325.814,1311 325.814,1312 64.056,1313 8.348,1314 99.1,1315 135.72,1316 29,1317 12.88,1318 4.248,1319 3.459,1320 49.844,1321 152,1322 150,1323 0.161,1324 246.154,1325 420.66,1326 592.375,1327 48983,1329 23.709,1330 0.697,1331 0.612,1332 24.312,1333 20.815,1334 16.402,1335 0.432,1336 0.37,1337 11.441,1338 14.439,1339 10.952,1340 8.93,1341 17.705,1342 14.078,1343 15.575,1344 0.283,1345 0.215,1346 17.604,1347 11.813,1348 12.638,1349 0.176,1350 0.12,1351 14.182,1352 8.671,1353 10.63,1354 0.111,1355 0.067,1356 12.084,1357 6.391,1358 8.862,1359 0.07,1360 0.036,1361 10.123,1362 4.512,1363 0.252,1364 116.703,1365 0.198,1366 31.305,1367 0.446,1368 186,1369 555.303,1370 264.584,1371 565.816,1372 767.07,1373 528,1374 220,1375 513.463,1376 305.305,1377 566.504,1378 832.13,1379 530,1380 8.745}
{0 CHEMBL1085177,1 1.799,2 12.353,3 1.526,4 2.329,5 132.762,6 8.14,7 0.421,8 4.254,9 4.37,10 4.045,11 3.77,12 5.263,13 3.731,14 4.853,15 5.04,16 4.379,17 4.181,18 6.022,19 4.127,20 5.062,21 5.259,22 4.41,23 4.338,24 6.071,25 4.254,26 5.134,27 5.35,28 4.37,29 4.387,30 6.139,31 4.265,32 5.162,33 5.407,34 4.326,35 4.379,36 6.117,37 4.237,38 5.003,39 5.211,40 4.328,41 4.332,42 5.926,43 4.207,44 4.98,45 5.175,46 4.34,47 4.27,48 5.98,49 4.17,50 5.043,51 5.277,52 4.262,53 4.242,54 5.981,55 4.123,56 0.138,57 1.053,58 15.509,59 5.763,60 18.121,61 7.092,62 0.719,63 1.672,64 31.882,65 9.935,66 67.959,67 12.313,68 0.77,69 1.98,70 43.862,71 12.021,72 60.702,73 15.436,74 0.655,75 2.038,76 43.372,77 14.723,78 74.477,79 18.936,80 0.89,81 2.022,82 51.521,83 15.197,84 81.73,85 19.361,86 0.529,87 1.908,88 43.541,89 14.076,90 35.029,91 17.413,92 0.511,93 1.832,94 36.011,95 11.434,96 45.326,97 14.877,98 0.604,99 1.826,100 41.784,101 12.449,102 45.734,103 16.378,104 27,105 56,106 0.288,107 0.588,108 0.761,109 0.81,110 0.81,111 0.81,112 3.561,113 1.093,114 -2.34,115 -2.38,116 -2.33,119 33.9,120 1,124 1,125 9,142 1,143 1,145 1,146 2,147 1,149 1,150 1,152 2,163 1,164 1,165 1,174 6,175 6,177 2,178 2,183 2,186 2,187 5,198 5,199 6,204 2,207 1,209 2,211 4,220 1,223 4,224 6,226 2,227 2,232 1,236 1,237 5,245 1,249 1,250 4,252 1,253 1,255 1,260 1,262 7,263 2,268 1,273 1,275 2050,276 22.59,277 22.59,278 22.59,279 22.59,280 22.59,281 20.393,282 30.186,283 13.045,284 23.546,285 18.805,286 18.805,287 18.805,288 18.805,289 18.805,290 15.305,291 41.552,292 6.266,293 20.402,294 4.155,295 2.283,296 1.202,297 0.895,298 0.895,299 0.895,300 4.265,306 916,307 3.536,310 76.176,311 413.152,314 140.999,318 1.882,319 40.602,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 75,331 420,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.582,338 0.916,339 11.657,340 3.077,341 4.646,342 3.343,343 6.765,344 4.166,345 3.236,346 4.51,347 0.86,348 11.153,349 3.015,350 4.31,351 3.041,352 6.418,353 3.889,354 2.935,355 3.984,356 0.8,357 9.838,358 2.789,359 3.872,360 3.006,361 5.867,362 3.585,363 2.668,364 3.258,365 0.4,366 8.287,367 2.442,368 3.672,369 2.742,370 5.483,371 3.376,372 2.456,373 3.037,374 0.172,375 7.298,376 2.257,377 3.546,378 2.432,379 5.25,380 3.201,381 2.292,382 2.696,384 6.541,385 2.081,386 3.254,387 2.315,388 4.953,389 2.898,390 1.974,391 2.434,393 5.716,394 1.811,395 3.085,396 2.214,397 4.761,398 2.68,399 1.763,400 2.246,402 4.979,403 1.618,404 3.003,405 2.017,406 4.661,407 2.642,408 1.718,409 2.099,411 4.784,412 1.57,413 2.73,414 1.857,415 4.544,416 2.422,417 1.517,418 1.811,420 4.521,421 1.361,422 2.673,423 1.544,424 4.039,425 2.177,426 1.273,427 1.673,428 3.317,429 1.15,430 2.39,431 1.277,432 3.739,433 2.09,434 1.205,435 1.377,436 2.919,437 1.05,438 2,439 1.256,440 3.414,441 1.967,442 1,443 1,445 2.275,446 0.965,447 2,448 1.146,449 3.403,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.949,457 0.663,458 3.247,459 1.438,460 0.574,461 0.771,463 1.647,464 0.487,465 16.367,466 0.481,467 1.069,468 0.031,469 42.25,470 1.243,471 18,472 0.529,473 24.25,474 0.713,475 34.756,476 1.022,477 38.233,478 0.617,479 32.725,480 0.963,481 7.78,482 0.229,483 8.495,484 0.25,485 0.126,486 0.051,487 0.318,493 0.73,494 1.656,495 0.779,496 1.258,497 0.725,498 1.028,499 0.982,500 0.958,501 0.914,502 0.83,503 0.523,504 0.778,505 1.239,506 1.134,507 1.2,508 1.093,509 1.083,510 1,511 0.854,512 1.099,513 0.969,514 1.075,515 1.072,516 1.11,517 0.904,518 0.865,519 1.104,520 0.934,521 1.008,522 0.898,523 0.577,524 1.107,525 1.226,526 1.323,527 0.372,528 1.13,529 0.969,530 1.296,531 0.89,532 1.06,533 0.859,534 1.179,535 0.863,536 1.113,537 1.009,538 1.092,539 0.592,540 1.082,541 8.5,542 0.211,543 4,544 2.694,545 1.671,546 1.594,547 0.945,548 0.622,549 0.435,550 0.399,551 16663,552 49386,553 2.102,554 45.2,556 22,558 1,559 2,560 3,564 1.763,565 1.952,566 3.552,567 0.323,573 111.561,574 1.799,575 3.671,576 4.752,577 5.059,578 5.059,579 5.059,580 3.044,581 4.396,582 5.054,583 3.771,584 2115.37,585 8.885,586 31915.3,591 369.16,592 1.583,593 5.007,594 0.224,595 0.006,596 0.071,597 0.048,598 0.032,599 0.031,600 0.018,601 0.013,602 0.01,603 0.01,604 0.463,605 0.33,606 0.63,607 0.706,608 181.219,609 0.018,610 -0.37,611 0.178,612 -0.12,613 -0.131,614 -0.019,615 0.079,616 0.18,617 0.067,618 0.174,619 0.282,620 0.165,621 -0.213,622 -0.03,623 -0.149,624 -0.033,625 -0.125,626 -0.03,627 -0.02,628 -0.082,629 -0.045,630 -0.074,631 -0.071,632 -0.099,633 -0.044,634 0.132,635 -0.032,636 0.125,637 -0.109,638 0.117,639 0.075,640 0.006,641 -0.114,642 -0.154,643 0.042,644 -0.078,645 -0.121,646 -0.212,647 -0.047,648 -0.119,649 -0.125,650 -0.209,651 -0.058,652 -0.081,653 -0.04,654 -0.105,655 0.001,656 -0.094,657 4.058,658 4.813,659 0.794,660 38.799,661 1.013,662 1.139,663 1.112,664 1.236,665 0.666,666 3.664,667 4.043,668 4.304,669 4.595,670 4.86,671 5.037,672 5.242,673 5.438,674 5.58,675 5.762,676 7.378,677 0.628,678 504.71,679 3.664,680 5.242,681 6.103,682 7.006,683 7.886,684 8.793,685 9.683,686 10.593,687 11.488,688 12.401,689 12.9,692 2,693 1,695 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 62,733 18,735 38,737 66,738 21,739 10,746 5,747 6,752 1,761 10,762 11,766 2,769 1,771 2,781 28,782 11,783 2,784 13,785 2,790 8,794 0.8,795 3,806 2,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 2,848 34,849 1,852 1,854 9,856 1,859 3,865 1,870 4.8,873 2,874 1,877 17.417,878 11.733,879 7.139,880 3.631,881 3.073,882 1.368,883 1.007,884 6.704,885 11.421,886 3.892,887 4.541,888 5.059,889 5.674,890 6.236,891 6.685,892 7.181,893 7.677,894 8.019,895 8.424,896 1,897 56,898 12.763,900 5.662,901 7.767,902 24.378,904 20.689,905 2.267,906 77.083,910 306.049,911 112.295,912 107.806,914 55.313,916 37.085,917 75.21,918 361.361,919 107.806,920 16.016,921 23.925,922 48.181,923 134.226,924 27.229,925 6.331,926 325.555,928 306.049,929 183.016,930 55.313,931 37.085,933 308.377,934 44.313,935 11,937 53.24,938 60.306,939 72.95,940 31.278,941 306.049,942 163.119,943 112.295,945 5.807,946 306.049,947 71.948,948 42.306,950 155.352,951 306.049,952 163.119,953 112.295,955 0.598,956 0.337,957 0.178,958 0.098,959 29,960 13,961 0.076,962 5,963 1,964 1.074,965 4.394,966 334.04,967 0.074,968 27,969 162.974,970 1,973 1,974 23.766,975 9.591,976 5.192,977 1.932,978 163.119,979 3.794,980 18.235,983 1.696,984 4.378,986 32.897,987 581.463,988 48,991 -3.141,993 23.626,999 62.785,1000 70.607,1001 0.302,1002 0.617,1003 0.798,1004 0.85,1005 0.85,1006 0.85,1007 5.176,1008 1.763,1009 6.133,1010 5.716,1011 4.727,1012 5.228,1013 1.661,1014 6.995,1015 4.57,1016 6.413,1017 1.718,1018 7.729,1019 4.979,1020 4.511,1021 5.359,1022 0.57,1023 8.111,1024 4.284,1025 7.768,1026 1.517,1027 9.43,1028 4.784,1029 6.412,1030 7.543,1031 1.271,1032 11.157,1033 6.114,1034 9.159,1035 1.273,1036 11.196,1037 4.521,1038 6.976,1039 8.474,1040 0.581,1041 13.073,1042 6.611,1043 10.587,1044 1.205,1045 13.002,1046 3.317,1047 8.408,1048 10.22,1049 1.026,1050 15.693,1051 7.974,1052 12.038,1053 1,1054 14.838,1055 2.919,1056 9.312,1057 11.479,1058 0.515,1059 17.919,1060 8.811,1061 13.509,1062 1,1063 16.695,1064 2.275,1065 10.572,1066 13.074,1067 0.841,1068 20.406,1069 10.003,1070 3.314,1071 0.574,1072 18.569,1073 2.136,1074 11.628,1075 14.472,1076 0.441,1077 22.754,1078 10.989,1079 3.236,1080 11.657,1081 20.455,1082 1.647,1083 12.826,1084 16.011,1085 0.689,1086 25.199,1087 12.118,1088 2.935,1089 11.153,1090 22.351,1091 4.582,1092 13.948,1093 17.469,1094 0.373,1095 27.596,1096 13.169,1097 2.668,1098 9.838,1099 24.255,1100 4.51,1101 15.127,1102 18.988,1103 0.564,1104 30.03,1105 14.278,1106 2.456,1107 8.287,1108 26.166,1109 3.984,1110 16.278,1111 20.473,1112 0.314,1113 32.447,1114 15.358,1115 2.292,1116 7.298,1117 28.083,1118 3.258,1119 17.453,1120 21.984,1121 0.461,1122 34.88,1123 16.461,1124 1.974,1125 6.541,1126 30.004,1127 3.037,1128 18.619,1129 23.483,1130 0.264,1131 37.308,1132 17.554,1133 15721,1134 27228,1135 25.255,1136 41.318,1137 57.957,1138 59.469,1139 59.032,1140 58,1141 57.96,1142 73.088,1143 6.298,1144 174.444,1145 53.344,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.582,1152 1.776,1153 18.905,1154 5.011,1155 18.029,1156 1.525,1157 1.565,1158 1.553,1159 1.526,1160 1.525,1161 1.923,1162 0.166,1163 4.591,1164 1.404,1165 4.108,1166 4.133,1167 4.722,1168 4.071,1169 7.716,1170 4.028,1171 4.004,1172 4,1173 4.337,1174 3.953,1175 6.999,1176 3.829,1177 3.841,1178 3.886,1179 3.856,1180 3.719,1181 5.237,1182 3.725,1183 3.738,1184 3.786,1185 3.654,1186 3.533,1187 5.014,1188 3.543,1189 3.638,1190 3.67,1191 3.59,1192 3.469,1193 4.615,1194 3.445,1195 3.302,1196 3.363,1197 3.34,1198 3.123,1199 4.576,1200 3.132,1201 3.169,1202 3.271,1203 2.998,1204 2.941,1205 4.364,1206 2.934,1207 3.111,1208 3.206,1209 2.927,1210 2.941,1211 4.196,1212 2.91,1213 0.125,1214 0.115,1215 0.187,1216 0.112,1217 0.087,1218 4.743,1219 0.121,1220 4.375,1221 0.024,1222 7.111,1223 0.307,1224 4.248,1225 0.081,1226 3.314,1227 4.582,1228 0.916,1229 11.657,1230 3.077,1231 1.9,1232 1.865,1233 1.977,1234 2.064,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.961,1240 2.04,1241 1.217,1242 2.038,1243 1.733,1244 1.686,1245 1.893,1246 1.946,1247 1.006,1248 1.932,1249 1.625,1250 1.609,1251 1.718,1252 1.787,1253 0.985,1254 1.818,1255 1.564,1256 1.526,1257 1.601,1258 1.739,1259 0.843,1260 1.748,1261 1.402,1262 1.38,1263 1.521,1264 1.511,1265 0.825,1266 1.562,1267 1.153,1268 1.064,1269 1.513,1270 1.444,1271 0.825,1272 1.467,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.823,1278 1.429,1279 4.344,1281 5.707,1282 2.398,1283 7.255,1284 4.727,1285 8.885,1286 6.843,1287 10.558,1289 3.149,1293 5.743,1295 6.05,1297 5.55,1300 6.072,1305 38.958,1306 111.561,1307 227.611,1308 294.631,1309 313.65,1310 313.65,1311 313.65,1312 61.893,1313 8.348,1314 130.67,1315 167.29,1316 29,1317 12.918,1318 4.248,1319 3.459,1320 49.852,1321 151,1322 150,1323 0.163,1324 243.356,1325 410.27,1326 585.548,1327 48699,1329 23.872,1330 0.702,1331 0.615,1332 24.475,1333 20.901,1334 16.275,1335 0.428,1336 0.364,1337 11.187,1338 14.22,1339 10.671,1340 8.718,1341 17.578,1342 13.843,1343 15.934,1344 0.285,1345 0.209,1346 17.963,1347 11.682,1348 12.674,1349 0.174,1350 0.117,1351 14.218,1352 8.542,1353 10.852,1354 0.111,1355 0.064,1356 12.307,1357 6.278,1358 8.737,1359 0.068,1360 0.034,1361 9.998,1362 4.356,1363 0.254,1364 116.383,1365 0.199,1366 31.257,1367 0.451,1368 188,1369 575.755,1370 270.112,1371 588.252,1372 802.76,1373 548,1374 223,1375 553.075,1376 311.306,1377 604.14,1378 886.12,1379 565,1380 8.959}
{0 CHEMBL1085178,1 1.723,2 8.815,3 1.898,4 3.604,5 105.399,6 7.888,7 0.533,8 4.014,9 4.135,10 3.67,11 3.528,12 5.113,13 3.503,14 4.564,15 4.746,16 4.11,17 3.939,18 5.666,19 3.898,20 4.767,21 4.946,22 4.212,23 4.081,24 5.859,25 4.015,26 4.829,27 5.051,28 4.095,29 4.124,30 5.822,31 4.004,32 4.787,33 5.012,34 4.058,35 4.078,36 5.774,37 3.977,38 4.717,39 4.898,40 4.125,41 4.065,42 5.81,43 3.988,44 4.779,45 4.985,46 4.016,47 4.034,48 5.775,49 3.952,50 4.805,51 5.013,52 3.807,53 4.009,54 5.779,55 3.879,56 0.077,57 0.793,58 10.412,59 4.371,60 12.794,61 5.521,62 0.356,63 1.261,64 21.621,65 7.684,66 31.047,67 9.647,68 0.521,69 1.507,70 29.753,71 8.546,72 43.431,73 11.108,74 0.401,75 1.583,76 34.975,77 11.406,78 37.424,79 14.482,80 0.431,81 1.502,82 31.117,83 9.692,84 38.104,85 12.949,86 0.424,87 1.468,88 27.704,89 9.249,90 32.488,91 11.741,92 0.422,93 1.468,94 27.417,95 8.19,96 30.792,97 11.503,98 0.337,99 1.373,100 29.144,101 10.543,102 41.416,103 13.745,104 27,105 45,106 0.292,107 0.648,108 0.798,109 0.798,110 0.798,111 0.798,112 3.341,113 0.961,114 -3.19,115 -3.19,116 -3.06,119 36.7,120 3,125 4,130 1,142 1,143 1,145 1,146 2,147 1,149 1,150 1,152 2,163 1,164 1,165 1,174 3,175 6,177 2,178 2,180 2,183 3,186 1,187 3,192 2,195 4,198 5,199 6,204 2,207 1,209 2,211 1,212 2,215 1,220 1,223 2,224 8,226 2,227 4,232 1,236 1,237 4,242 1,245 3,252 1,253 1,255 1,260 1,262 2,263 7,266 3,268 2,271 2,273 1,275 1024,276 17.712,277 17.712,278 17.712,279 17.712,280 17.712,281 15.907,282 22.37,283 10.158,284 18.446,285 14.838,286 14.838,287 14.838,288 14.838,289 14.838,290 11.985,291 30.485,292 4.877,293 16.078,294 3.891,295 1.785,296 0.903,297 0.903,298 0.903,299 0.903,300 4.032,303 1,304 1,305 1,306 513,307 3.24,310 56.816,311 219.385,314 102.788,318 1.257,319 28.464,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 238,332 4.693,333 3.72,334 7.143,335 4.317,336 3.383,337 4.599,338 0.86,339 11.89,340 3.151,341 4.38,342 3.294,343 6.723,344 4.083,345 3.137,346 3.994,347 0.8,348 10.905,349 2.967,350 4.215,351 3.028,352 6.412,353 3.856,354 2.905,355 3.53,356 0.765,357 9.808,358 2.753,359 3.701,360 2.7,361 5.778,362 3.412,363 2.489,364 3.053,366 7.881,367 2.294,368 3.648,369 2.354,370 5.249,371 3.186,372 2.275,373 2.955,375 6.522,376 2.07,377 3.169,378 2.235,379 4.766,380 2.737,381 1.815,382 2.416,384 5.061,385 1.671,386 3.015,387 1.958,388 4.709,389 2.678,390 1.762,391 2.101,393 4.873,394 1.606,395 2.784,396 1.573,397 4.481,398 2.275,399 1.382,400 1.891,402 4.147,403 1.22,404 2.633,405 1.475,406 4.036,407 2.14,408 1.248,409 1.684,411 3.277,412 1.109,413 2.386,414 1.256,415 3.739,416 2.081,417 1.184,418 1.373,420 2.919,421 1.043,422 2,423 1.239,424 3.402,425 1.952,426 1,427 1,428 2.136,429 0.946,430 1.948,431 0.648,432 3.247,433 1.438,434 0.568,435 0.767,436 1.636,437 0.485,438 1.303,439 0.121,440 2.852,441 0.902,442 -0.028,443 -0.036,445 -0.069,446 -0.026,447 0.935,448 -0.242,449 2.746,450 0.507,451 -0.408,452 -0.5,454 -1.122,455 -0.37,456 0.796,457 -0.265,458 2.64,459 0.417,460 -0.515,461 -0.621,463 -1.242,464 -0.479,465 12.9,466 0.478,467 0.932,468 0.035,469 33.75,470 1.25,471 15,472 0.556,473 18.75,474 0.694,475 26.658,476 0.987,477 29.7,478 0.606,479 24.074,480 0.892,481 6.163,482 0.228,483 6.663,484 0.247,485 0.173,486 0.039,487 0.341,493 0.984,494 1.421,495 0.759,496 1.028,497 1.095,498 0.949,499 1.038,500 0.897,501 0.722,502 0.752,503 0.672,504 0.709,505 1.39,506 1.227,507 1.097,508 1.064,509 1.429,510 0.989,511 0.644,512 1.101,513 1.245,514 1.261,515 0.679,516 1.051,517 0.79,518 1.036,519 1.094,520 1.02,521 0.732,522 0.943,523 0.765,524 1.162,525 1.178,526 1.274,527 0.692,528 1.143,529 1.122,530 1.118,531 1.097,532 1.096,533 0.928,534 1.16,535 1.056,536 1.226,537 1.173,538 1.346,539 1.265,540 1.377,541 7,542 0.111,543 3.556,544 2,545 1.859,546 1.302,547 1.043,548 0.588,549 0.458,550 0.224,551 7781,552 21510,553 2.066,554 44.9,556 9,558 1,559 3,560 3,561 6,564 1.71,565 1.895,566 3.096,567 1.018,568 1,569 1,573 84.445,574 1.723,575 3.829,576 4.711,577 4.711,578 4.711,579 4.711,580 2.5,581 4.236,582 4.725,583 3.269,584 1147.56,585 8.252,586 14251.1,588 1,590 1,591 275.121,592 1.675,593 4.66,594 0.233,595 0.016,596 0.079,597 0.044,598 0.043,599 0.031,600 0.024,601 0.015,602 0.015,603 0.01,604 0.511,605 0.5,606 1,607 0.803,608 130.419,609 -0.115,610 -0.207,611 0.06,612 -0.002,613 -0.206,614 0.019,615 0.032,616 0.207,617 0.223,618 0.253,619 0.185,620 0.249,621 -0.204,622 -0.119,623 -0.029,624 0.003,625 -0.215,626 -0.039,627 0.073,628 -0.025,629 -0.069,630 -0.093,631 0.049,632 -0.021,633 -0.02,634 0.041,635 -0.042,636 0.039,637 -0.012,638 0.049,639 0.102,640 -0.007,641 -0.134,642 -0.185,643 0.075,644 -0.167,645 -0.182,646 -0.023,647 -0.205,648 -0.162,649 -0.148,650 -0.227,651 -0.113,652 -0.256,653 -0.275,654 -0.351,655 -0.143,656 -0.374,657 2.186,658 4.447,659 0.778,660 22.881,661 1.008,662 1.136,663 1.963,664 3.855,665 0.667,666 3.434,667 3.829,668 4.094,669 4.394,670 4.691,671 4.883,672 5.056,673 5.257,674 5.361,675 5.403,676 5.534,677 0.632,678 386.53,679 3.434,680 5.017,681 5.883,682 6.797,683 7.688,684 8.607,685 9.51,686 10.432,687 11.342,688 12.266,689 12.2,693 1,695 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 49,733 16,735 30,737 52,738 18,739 10,746 4,747 5,752 3,761 10,762 8,763 1,777 1,778 1,781 22,782 8,783 3,784 9,785 1,790 6,794 0.75,795 2,798 1,806 2,811 1,812 3,815 1,838 1,839 1,840 3,842 1,844 3,848 27,849 1,853 1,854 4,856 1,859 1,860 1,865 1,870 4.1,871 1,874 1,877 14.25,878 9.783,879 5.639,880 2.863,881 3.055,882 1.402,883 0.952,884 4.745,885 10.652,886 3.664,887 4.327,888 4.951,889 5.606,890 6.212,891 6.682,892 7.148,893 7.65,894 7.99,895 8.33,896 0.833,897 45,898 9.989,900 4.312,901 7.719,902 19.091,904 15.893,905 2.219,906 59.917,910 223.651,911 106.419,912 103.164,914 53.683,916 31.278,917 75.141,918 277.334,919 103.164,920 26.476,921 13.396,922 85.057,923 89.913,924 22.586,925 6.331,926 243.158,928 223.651,929 178.305,930 53.683,931 31.278,933 155.352,934 70.627,935 53.683,937 55.719,938 53.115,939 67.142,940 31.278,941 223.651,942 156.847,943 106.419,946 223.651,947 61.419,948 48.124,950 153.723,951 223.651,952 156.847,953 106.419,955 0.602,956 0.338,957 0.179,958 0.105,959 24,960 11,961 0.058,962 3,963 1,964 1.095,965 3.698,966 247.533,967 0.095,968 21,969 122.382,970 1,974 18.479,975 6.932,976 3.616,977 1.77,978 156.847,979 3.591,980 17.914,983 1.526,984 3.968,986 75.581,987 486.917,988 38,999 49.411,1000 55.65,1001 0.307,1002 0.682,1003 0.839,1004 0.839,1005 0.839,1006 0.839,1007 4.949,1008 1.382,1009 5.932,1010 4.873,1011 4.511,1012 5.014,1013 1.528,1014 6.821,1015 4.358,1016 6.198,1017 1.248,1018 7.548,1019 4.147,1020 4.369,1021 5.027,1022 0.325,1023 8.009,1024 4.175,1025 7.547,1026 1.184,1027 9.272,1028 3.277,1029 6.229,1030 7.296,1031 1.175,1032 11.059,1033 5.949,1034 8.931,1035 1,1036 11.06,1037 2.919,1038 6.858,1039 8.096,1040 0.268,1041 13.02,1042 6.534,1043 10.347,1044 0.568,1045 12.887,1046 2.136,1047 8.271,1048 9.905,1049 0.908,1050 15.654,1051 7.871,1052 11.784,1053 -0.028,1054 14.742,1055 1.636,1056 9.22,1057 11.069,1058 0.188,1059 17.904,1060 8.767,1061 13.238,1062 -0.408,1063 16.616,1064 -0.069,1065 10.478,1066 12.694,1067 0.694,1068 20.407,1069 9.955,1070 3.383,1071 -0.515,1072 18.504,1073 -1.122,1074 11.563,1075 14.036,1076 0.125,1077 22.77,1078 10.979,1079 3.137,1080 11.89,1081 20.403,1082 -1.242,1083 12.768,1084 15.586,1085 0.523,1086 25.231,1087 12.116,1088 2.905,1089 10.905,1090 22.311,1091 4.599,1092 13.911,1093 17.015,1094 0.082,1095 27.643,1096 13.194,1097 2.489,1098 9.808,1099 24.225,1100 3.994,1101 15.102,1102 18.538,1103 0.389,1104 30.093,1105 14.316,1106 2.275,1107 7.881,1108 26.145,1109 3.53,1110 16.271,1111 20.009,1112 0.054,1113 32.526,1114 15.418,1115 1.815,1116 6.522,1117 28.07,1118 3.053,1119 17.46,1120 21.524,1121 0.287,1122 34.975,1123 16.538,1124 1.762,1125 5.061,1126 29.998,1127 2.955,1128 18.644,1129 23.017,1130 0.035,1131 37.42,1132 17.651,1133 7527,1134 12650,1135 19.592,1136 32.682,1137 46.816,1138 46.526,1139 47.371,1140 46.233,1141 46.296,1142 58.73,1143 4.849,1144 142.108,1145 42.626,1146 5.693,1147 5.72,1148 6.945,1149 5.45,1150 5.383,1151 7.599,1152 1.72,1153 19.185,1154 5.082,1155 14.781,1156 1.561,1157 1.551,1158 1.579,1159 1.541,1160 1.543,1161 1.958,1162 0.162,1163 4.737,1164 1.421,1165 4.1,1166 4.124,1167 4.342,1168 4.073,1169 6.449,1170 4.031,1171 3.845,1172 3.89,1173 3.857,1174 3.722,1175 5.236,1176 3.731,1177 3.743,1178 3.793,1179 3.652,1180 3.538,1181 5.01,1182 3.551,1183 3.568,1184 3.623,1185 3.458,1186 3.39,1187 4.615,1188 3.394,1189 3.198,1190 3.292,1191 3.242,1192 2.987,1193 4.571,1194 2.997,1195 3.125,1196 3.206,1197 2.977,1198 2.941,1199 4.259,1200 2.918,1201 3.111,1202 3.196,1203 2.892,1204 2.929,1205 4.043,1206 2.91,1207 2.963,1208 3.036,1209 2.866,1210 2.736,1211 3.982,1212 2.753,1213 0.156,1214 0.124,1215 0.238,1216 0.144,1217 0.113,1218 4.693,1219 0.153,1220 3.72,1221 0.029,1222 7.143,1223 0.396,1224 4.317,1225 0.105,1226 3.383,1227 4.599,1228 0.86,1229 11.89,1230 3.151,1231 1.9,1232 1.865,1233 1.968,1234 2.063,1235 1.217,1236 2.039,1237 1.733,1238 1.692,1239 1.897,1240 1.946,1241 1.086,1242 1.932,1243 1.707,1244 1.674,1245 1.883,1246 1.856,1247 1.002,1248 1.872,1249 1.567,1250 1.526,1251 1.679,1252 1.755,1253 0.831,1254 1.744,1255 1.153,1256 1.113,1257 1.513,1258 1.445,1259 0.825,1260 1.467,1261 1.15,1262 1.064,1263 1.474,1264 1.376,1265 0.49,1266 1.429,1267 1.15,1268 1.05,1269 1.417,1270 1.282,1271 0.469,1272 1.317,1273 0.97,1274 0.904,1275 1.27,1276 1.239,1277 0.465,1278 1.308,1279 4.111,1281 5.485,1282 2.398,1283 7.045,1284 4.727,1285 8.689,1286 6.88,1287 10.378,1289 5.419,1293 5.683,1294 10.447,1295 2.847,1297 5.484,1300 2.204,1301 -0.936,1305 30.96,1306 84.445,1307 187.634,1308 230.856,1309 230.856,1310 230.856,1311 230.856,1312 44.294,1313 7.597,1314 110.28,1315 138.52,1316 23,1317 12.775,1318 4.087,1319 3.17,1320 39.791,1321 90,1322 94,1323 0.224,1324 193.256,1325 321.43,1326 463.306,1327 18097,1329 19.181,1330 0.71,1331 0.607,1332 19.535,1333 16.377,1334 12.826,1335 0.428,1336 0.32,1337 8.711,1338 11.795,1339 8.333,1340 6.873,1341 13.234,1342 9.61,1343 12.811,1344 0.285,1345 0.181,1346 13.411,1347 8.134,1348 10.063,1349 0.171,1350 0.101,1351 11.049,1352 5.939,1353 8.512,1354 0.106,1355 0.052,1356 9.433,1357 4.146,1358 7.088,1359 0.066,1360 0.027,1361 7.931,1362 2.916,1363 0.337,1364 85.078,1365 0.226,1366 25.187,1367 0.662,1368 150,1369 434.283,1370 192.871,1371 438.943,1372 608.48,1373 412,1374 179,1375 442.987,1376 224.032,1377 463.436,1378 686.6,1379 435,1380 8.456}
{0 CHEMBL1086403,1 1.729,2 9.483,3 2.413,4 5.823,5 111.557,6 8.337,7 0.606,8 4.032,9 4.146,10 3.743,11 3.591,12 5.13,13 3.572,14 4.578,15 4.743,16 4.141,17 4.001,18 5.659,19 3.96,20 4.755,21 4.941,22 4.164,23 4.085,24 5.778,25 4.02,26 4.753,27 4.958,28 4.142,29 4.099,30 5.756,31 4.017,32 4.753,33 4.96,34 4.199,35 4.118,36 5.789,37 4.028,38 4.715,39 4.875,40 4.143,41 4.14,42 5.743,43 4.054,44 4.752,45 4.938,46 4.086,47 4.108,48 5.757,49 4.015,50 4.813,51 5.034,52 3.998,53 4.044,54 5.771,55 3.931,56 0.087,57 0.809,58 9.036,59 4.323,60 7.189,61 5.106,62 0.358,63 1.311,64 19.478,65 7.452,66 25.469,67 8.819,68 0.49,69 1.52,70 28.834,71 8.878,72 38.123,73 10.885,74 0.313,75 1.531,76 25.556,77 9.393,78 30.93,79 11.887,80 0.485,81 1.549,82 30.191,83 10.079,84 36.22,85 12.018,86 0.336,87 1.513,88 28.226,89 10,90 22.105,91 11.128,92 0.339,93 1.485,94 23.571,95 9.756,96 26.744,97 12.318,98 0.418,99 1.504,100 29.455,101 10.144,102 35.496,103 13.305,104 8,105 47,106 0.288,107 0.678,108 0.818,109 0.845,110 0.845,111 0.845,112 3.409,113 0.937,114 -3.23,115 -3.22,116 -3.09,119 40.8,120 1,125 5,142 4,143 2,145 1,146 1,147 1,149 1,152 3,158 1,168 1,172 4,174 2,175 5,178 1,180 3,183 5,186 1,187 9,192 4,195 2,198 1,199 7,204 1,207 1,211 3,212 6,215 3,220 5,224 2,227 2,232 3,236 3,237 5,240 1,242 2,245 2,249 2,250 5,255 3,258 1,263 2,266 1,268 1,271 1,275 1283,276 20.016,277 20.016,278 20.016,279 20.016,280 20.016,281 17.637,282 17.519,283 11.892,284 20.639,285 16.368,286 16.368,287 16.368,288 16.368,289 16.368,290 12.629,291 23.616,292 5.713,293 17.402,294 3.885,295 1.545,296 0.709,297 0.546,298 0.546,299 0.546,300 4.122,304 1,305 1,306 611,307 3.082,310 116.272,311 215.733,314 212.521,318 1.57,319 25.067,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 275,332 4.67,333 3.521,334 6.793,335 4.196,336 3.251,337 4.618,338 1.909,339 11.245,340 3.105,341 4.507,342 3.338,343 6.634,344 4.02,345 3.058,346 4.443,347 0.86,348 10.638,349 2.898,350 3.886,351 3.094,352 5.855,353 3.539,354 2.619,355 3.379,356 0.8,357 8.202,358 2.405,359 3.772,360 2.859,361 5.744,362 3.379,363 2.432,364 3.116,365 0.561,366 7.75,367 2.301,368 3.556,369 2.508,370 5.15,371 3.228,372 2.237,373 2.741,375 6.214,376 2.205,377 3.3,378 2.306,379 4.708,380 2.913,381 1.958,382 2.55,384 5.016,385 1.844,386 3.049,387 2.125,388 4.637,389 2.646,390 1.738,391 2.322,393 4.821,394 1.566,395 3.018,396 1.551,397 4.568,398 2.536,399 1.549,400 2.184,402 4.487,403 1.529,404 2.949,405 1.548,406 4.057,407 2.423,408 1.479,409 2.085,411 3.571,412 1.389,413 2.5,414 1.5,415 3.766,416 2.101,417 1.241,418 1.5,420 2.961,421 1.055,422 2.4,423 1.256,424 3.427,425 1.97,426 1,427 1.388,428 2.232,429 0.968,430 2.034,431 1.094,432 3.392,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.547,442 0.647,443 0.872,445 1.79,446 0.57,447 1.871,448 0.687,449 3.138,450 1.457,451 0.506,452 0.594,454 1.161,455 0.476,456 1.747,457 0.426,458 2.968,459 1.328,460 0.408,461 0.591,463 1.083,464 0.373,465 13.9,466 0.479,467 0.657,468 0.023,469 38,470 1.31,471 18,472 0.621,473 20,474 0.69,475 25.167,476 0.868,477 30.5,478 0.622,479 27.34,480 0.943,481 7.4,482 0.255,483 6.787,484 0.234,485 0.06,487 0.353,493 0.801,494 1.26,495 0.697,496 0.954,497 0.595,498 0.876,499 1.088,500 0.999,501 0.823,502 0.79,503 0.665,504 0.792,505 1.191,506 1.178,507 1.135,508 1.083,509 1.177,510 0.96,511 0.805,512 1.178,513 0.898,514 0.97,515 0.801,516 0.958,517 0.708,518 0.834,519 1.133,520 1.01,521 0.619,522 0.862,523 0.953,524 1.163,525 1.517,526 1.435,527 0.884,528 1.197,529 0.664,530 1.129,531 0.963,532 1.15,533 0.52,534 1.196,535 0.772,536 1.175,537 1.027,538 1.187,539 0.666,540 1.171,541 5,542 0.116,543 2.889,544 1.694,545 1.359,546 1.036,547 0.772,548 0.397,549 0.297,550 0.172,551 10387,552 29314,553 2.193,554 40.8,556 14,558 1,559 2,560 3,564 1.727,565 2.096,566 3.238,567 0.296,568 1,569 1,573 84.734,574 1.729,575 4.069,576 4.905,577 5.069,578 5.069,579 5.069,580 2.705,581 4.651,582 4.824,583 3.425,584 1390.37,585 8.45,586 18286.7,588 1,590 1,591 275.121,592 1.247,593 4.809,594 0.152,595 0.006,596 0.061,597 0.037,598 0.03,599 0.022,600 0.017,601 0.009,602 0.008,603 0.007,604 0.348,605 0.33,606 0.88,607 0.936,608 144.488,609 -0.026,610 -0.11,611 0.07,612 -0.004,613 -0.021,614 0.016,615 -0.068,616 0.09,617 0.084,618 0.174,619 0.042,620 0.12,621 -0.152,622 -0.127,623 -0.067,624 -0.033,625 -0.161,626 -0.007,627 -0.055,628 -0.139,629 0.052,630 0.014,631 -0.042,632 0.014,633 0.092,634 0.256,635 0.041,636 0.108,637 0.062,638 0.124,639 -0.131,640 -0.036,641 -0.337,642 -0.258,643 -0.139,644 -0.228,645 0.098,646 -0.112,647 -0.091,648 -0.181,649 0.08,650 -0.224,651 0.058,652 -0.208,653 -0.05,654 -0.195,655 0.061,656 -0.17,657 1.714,658 4.319,659 0.828,660 27.508,661 1.011,662 1.127,663 2.002,664 4.008,665 0.692,666 3.526,667 3.871,668 4.19,669 4.533,670 4.796,671 4.963,672 5.22,673 5.429,674 5.529,675 5.663,676 6.033,677 0.662,678 408.53,679 3.526,680 5.081,681 5.953,682 6.853,683 7.749,684 8.659,685 9.566,686 10.481,687 11.395,688 12.313,689 12.2,695 1,696 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 49,733 21,734 1,735 33,737 53,738 20,739 13,740 3,741 3,746 5,747 7,752 1,761 14,762 6,766 1,771 1,775 1,778 1,781 20,782 7,783 2,784 9,785 1,790 6,794 0.6,795 2,803 1,806 1,811 2,812 3,815 2,826 1,839 1,840 3,842 1,844 1,848 29,854 5,855 1,856 1,859 1,865 1,870 4.1,873 1,874 1,877 13.833,878 9.217,879 6.25,880 2.935,881 4.009,882 1.496,883 1.038,884 4.998,885 12.096,886 3.807,887 4.46,888 5.125,889 5.824,890 6.394,891 6.872,892 7.432,893 7.961,894 8.298,895 8.758,896 1,897 46,898 10.708,900 4.619,901 7.667,902 20.652,904 17.323,905 2.167,906 62.833,909 1,910 211.88,911 124.069,912 88.032,914 36.145,916 31.278,917 92.791,918 248.025,919 88.032,920 8.825,921 33.513,922 37.905,923 102.855,924 39.065,925 6.576,926 231.386,928 211.88,929 180.823,930 36.145,931 31.278,933 214.208,934 25.145,935 11,937 70.192,938 58.069,939 50.234,940 31.278,941 211.88,942 124.177,943 124.069,946 211.88,947 68.291,948 58.902,949 34.674,950 86.379,951 211.88,952 124.177,953 124.069,955 0.581,956 0.335,957 0.192,958 0.109,959 25,960 10,961 0.075,962 4,963 2,964 1.167,965 4.038,966 275.375,967 0.167,968 24,969 136.881,970 1,974 18.615,975 7.787,976 3.638,977 3.877,978 107.514,979 9.84,980 14.001,981 3.006,983 1.628,984 3.6,986 34.674,987 460.125,988 44,993 11.319,997 -0.047,999 49.527,1000 55.235,1001 0.308,1002 0.725,1003 0.874,1004 0.903,1005 0.903,1006 0.903,1007 5.05,1008 1.549,1009 5.938,1010 4.821,1011 4.554,1012 5.147,1013 2.306,1014 6.779,1015 4.438,1016 6.266,1017 1.479,1018 7.505,1019 4.487,1020 4.111,1021 5.037,1022 1.668,1023 7.719,1024 3.966,1025 7.588,1026 1.241,1027 9.175,1028 3.571,1029 6.163,1030 7.446,1031 3.002,1032 10.872,1033 5.943,1034 8.951,1035 1,1036 10.909,1037 2.961,1038 6.581,1039 8.233,1040 3.047,1041 12.681,1042 6.325,1043 10.35,1044 1,1045 12.684,1046 2.232,1047 8.079,1048 10.096,1049 4.065,1050 15.339,1051 7.762,1052 11.776,1053 0.647,1054 14.489,1055 2.136,1056 8.895,1057 11.29,1058 4.416,1059 17.494,1060 8.536,1061 13.222,1062 0.506,1063 16.315,1064 1.79,1065 10.176,1066 12.943,1067 5.263,1068 19.986,1069 9.764,1070 3.251,1071 0.408,1072 18.157,1073 1.161,1074 11.178,1075 14.32,1076 5.758,1077 22.283,1078 10.721,1079 3.058,1080 11.245,1081 20.01,1082 1.083,1083 12.375,1084 15.888,1085 6.512,1086 24.716,1087 11.87,1088 2.619,1089 10.638,1090 21.874,1091 4.618,1092 13.462,1093 17.344,1094 7.078,1095 27.072,1096 12.912,1097 2.432,1098 8.202,1099 23.744,1100 4.443,1101 14.629,1102 18.88,1103 7.782,1104 29.485,1105 14.033,1106 2.237,1107 7.75,1108 25.621,1109 3.379,1110 15.755,1111 20.37,1112 8.386,1113 31.867,1114 15.113,1115 1.958,1116 6.214,1117 27.503,1118 3.116,1119 16.914,1120 21.894,1121 9.064,1122 34.273,1123 16.227,1124 1.738,1125 5.016,1126 29.388,1127 2.741,1128 18.058,1129 23.398,1130 9.687,1131 36.667,1132 17.326,1133 9694,1134 16413,1135 22.77,1136 33.921,1137 50.518,1138 51.039,1139 50.712,1140 50.194,1141 50.245,1142 66.767,1143 8.26,1144 146.612,1145 47.259,1146 5.67,1147 5.521,1148 6.595,1149 5.331,1150 5.251,1151 7.618,1152 3.31,1153 18.515,1154 5.105,1155 10.359,1156 1.531,1157 1.547,1158 1.537,1159 1.521,1160 1.523,1161 2.023,1162 0.25,1163 4.443,1164 1.432,1165 4.149,1166 4.182,1167 4.339,1168 4.088,1169 7.43,1170 4.069,1171 4.006,1172 4.035,1173 4.056,1174 3.955,1175 5.129,1176 3.932,1177 3.735,1178 3.787,1179 3.658,1180 3.529,1181 4.975,1182 3.54,1183 3.609,1184 3.663,1185 3.518,1186 3.367,1187 4.612,1188 3.395,1189 3.39,1190 3.45,1191 3.406,1192 3.206,1193 4.42,1194 3.221,1195 3.264,1196 3.323,1197 3.199,1198 3.114,1199 4.288,1200 3.115,1201 3.111,1202 3.206,1203 2.944,1204 2.941,1205 4.023,1206 2.91,1207 2.997,1208 3.064,1209 2.866,1210 2.865,1211 3.936,1212 2.858,1213 0.142,1214 0.107,1215 0.206,1216 0.127,1217 0.099,1218 4.67,1219 0.14,1220 3.521,1221 0.058,1222 6.793,1223 0.341,1224 4.196,1225 0.094,1226 3.251,1227 4.618,1228 1.909,1229 11.245,1230 3.105,1231 1.975,1232 1.952,1233 2.038,1234 2.077,1235 1.224,1236 2.065,1237 1.791,1238 1.757,1239 1.928,1240 1.964,1241 1.169,1242 1.959,1243 1.643,1244 1.602,1245 1.804,1246 1.845,1247 0.983,1248 1.837,1249 1.573,1250 1.533,1251 1.705,1252 1.778,1253 0.864,1254 1.763,1255 1.373,1256 1.338,1257 1.552,1258 1.619,1259 0.825,1260 1.581,1261 1.307,1262 1.232,1263 1.513,1264 1.519,1265 0.695,1266 1.557,1267 1.153,1268 1.064,1269 1.442,1270 1.376,1271 0.416,1272 1.429,1273 1.021,1274 0.969,1275 1.223,1276 1.187,1277 0.298,1278 1.208,1279 4.205,1281 5.541,1282 3.045,1283 7.071,1284 5.352,1285 8.695,1286 7.424,1287 10.376,1289 1.524,1295 3.441,1296 2.866,1297 5.524,1300 2.255,1305 32.433,1306 84.734,1307 199.405,1308 240.366,1309 248.366,1310 248.366,1311 248.366,1312 38.582,1313 8.087,1314 96.03,1315 124.27,1316 28,1317 12.824,1318 4.459,1319 3.585,1320 39.26,1321 105,1322 114,1323 0.187,1324 199.193,1325 327.49,1326 477.791,1327 34948,1329 19.794,1330 0.683,1331 0.578,1332 20.148,1333 16.752,1334 14.187,1335 0.43,1336 0.312,1337 9.397,1338 13.087,1339 9.133,1340 7.479,1341 14.595,1342 10.306,1343 12.976,1344 0.276,1345 0.172,1346 13.618,1347 8.081,1348 10.971,1349 0.169,1350 0.093,1351 11.777,1352 6.073,1353 9.743,1354 0.106,1355 0.05,1356 10.632,1357 4.588,1358 8.15,1359 0.068,1360 0.027,1361 9.056,1362 3.258,1363 0.284,1364 93.58,1365 0.21,1366 26.995,1367 0.541,1368 160,1369 475.578,1370 202.178,1371 476.498,1372 661.36,1373 450,1374 192,1375 478.256,1376 233.5,1377 496.753,1378 734.88,1379 469,1380 7.796}
{0 CHEMBL1086923,1 1.772,2 11.879,3 2.98,4 8.882,5 128.554,6 8.161,7 0.432,8 4.219,9 4.319,10 4.017,11 3.771,12 5.222,13 3.724,14 4.816,15 4.986,16 4.343,17 4.184,18 5.981,19 4.123,20 5.056,21 5.248,22 4.37,23 4.33,24 6.065,25 4.233,26 5.105,27 5.325,28 4.312,29 4.349,30 6.082,31 4.223,32 5.09,33 5.319,34 4.305,35 4.343,36 6.095,37 4.201,38 4.955,39 5.153,40 4.272,41 4.311,42 5.865,43 4.184,44 4.933,45 5.118,46 4.26,47 4.258,48 5.938,49 4.14,50 4.998,51 5.223,52 4.248,53 4.212,54 5.955,55 4.092,56 0.129,57 0.966,58 14.975,59 6.076,60 18.151,61 7.06,62 0.619,63 1.604,64 30.123,65 10.197,66 60.721,67 12.081,68 0.739,69 1.942,70 43.987,71 13.107,72 65.163,73 15.971,74 0.597,75 1.957,76 43.455,77 14.79,78 73.969,79 18.54,80 0.864,81 1.927,82 48.197,83 15.315,84 84.996,85 18.656,86 0.456,87 1.831,88 41.623,89 13.721,90 30.385,91 16.414,92 0.449,93 1.709,94 34.397,95 12.702,96 43.182,97 15.367,98 0.546,99 1.734,100 39.666,101 12.911,102 45.081,103 16.191,104 18,105 54,106 0.285,107 0.584,108 0.738,109 0.82,110 0.82,111 0.82,112 3.532,113 1.105,114 -2.8,115 -2.81,116 -2.72,119 36.7,124 1,125 9,142 5,143 1,144 1,146 1,147 1,149 1,152 2,172 4,174 5,175 3,180 2,183 5,186 2,187 9,192 2,195 2,198 1,199 5,204 1,207 1,211 4,212 4,215 2,220 3,223 2,224 4,232 3,236 1,237 4,240 1,242 1,245 2,249 1,250 8,255 1,258 1,262 3,263 2,275 1873,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 26.755,283 12.876,284 22.923,285 18.338,286 18.338,287 18.338,288 18.338,289 18.338,290 14.916,291 36.826,292 6.204,293 19.755,294 4.135,295 2.283,296 1.323,297 0.813,298 0.813,299 0.813,300 4.239,305 1,306 859,307 3.464,310 73.162,311 399.189,314 136.001,318 1.837,319 39.83,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 72.5,331 392,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.578,338 0.916,339 11.657,340 3.077,341 4.638,342 3.336,343 6.753,344 4.151,345 3.224,346 4.51,347 0.86,348 11.116,349 2.987,350 4.175,351 3.014,352 6.127,353 3.765,354 2.8,355 3.805,356 0.8,357 9.029,358 2.696,359 3.864,360 2.883,361 5.866,362 3.584,363 2.665,364 3.232,365 0.4,366 8.286,367 2.442,368 3.625,369 2.73,370 5.478,371 3.372,372 2.449,373 2.985,374 0.172,375 7.278,376 2.255,377 3.532,378 2.455,379 5.059,380 3.169,381 2.23,382 2.672,384 6.129,385 2.086,386 3.201,387 2.322,388 4.944,389 2.872,390 1.942,391 2.336,393 5.665,394 1.791,395 3.011,396 2.213,397 4.68,398 2.65,399 1.742,400 2.113,402 4.811,403 1.572,404 2.867,405 1.947,406 4.549,407 2.446,408 1.541,409 2.01,411 4.567,412 1.386,413 2.694,414 1.548,415 4.306,416 2.343,417 1.396,418 1.694,420 3.91,421 1.314,422 2.595,423 1.474,424 3.751,425 2.122,426 1.245,427 1.631,428 2.947,429 1.091,430 2.378,431 1.256,432 3.476,433 2.057,434 1.095,435 1.363,436 2.533,437 1.037,438 2,439 1.146,440 3.414,441 1.967,442 1,443 1,445 2.275,446 0.965,447 2,448 1.117,449 3.39,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.93,457 0.614,458 3.247,459 1.404,460 0.536,461 0.733,463 1.565,464 0.456,465 16,466 0.485,467 0.98,468 0.03,469 40.75,470 1.235,471 18,472 0.545,473 22.75,474 0.689,475 32.502,476 0.985,477 36.8,478 0.613,479 31.357,480 0.95,481 7.574,482 0.23,483 8.291,484 0.251,485 0.094,486 0.052,487 0.294,493 0.718,494 1.537,495 0.778,496 1.207,497 0.719,498 1,499 0.978,500 1.012,501 0.953,502 0.87,503 0.537,504 0.83,505 1.158,506 1.122,507 1.188,508 1.095,509 1.04,510 1.019,511 0.897,512 1.097,513 0.95,514 0.996,515 1.039,516 1.02,517 0.786,518 0.86,519 1.099,520 0.939,521 0.894,522 0.889,523 0.678,524 1.122,525 1.3,526 1.298,527 0.441,528 1.126,529 0.822,530 1.21,531 0.904,532 1.069,533 0.782,534 1.202,535 0.833,536 1.038,537 0.896,538 1.03,539 0.64,540 1.029,541 8,542 0.19,543 3.556,544 2.257,545 1.64,546 1.4,547 0.78,548 0.528,549 0.415,550 0.278,551 15592,552 45857,553 2.123,554 45,556 26,559 1,564 1.755,565 1.99,566 3.522,567 -0.262,573 106.314,574 1.772,575 3.624,576 4.584,577 5.094,578 5.094,579 5.094,580 2.962,581 4.476,582 5.011,583 3.743,584 1976.4,585 8.797,586 29286.6,591 354.413,592 1.521,593 4.972,594 0.216,595 0.006,596 0.066,597 0.043,598 0.033,599 0.028,600 0.016,601 0.011,602 0.01,603 0.008,604 0.437,605 0.33,606 0.63,607 0.675,608 174.373,609 0.026,610 -0.313,611 0.177,612 -0.094,613 -0.118,614 -0.007,615 0.02,616 0.139,617 0.016,618 0.123,619 0.216,620 0.103,621 -0.167,622 -0.039,623 -0.141,624 -0.057,625 -0.106,626 -0.054,627 -0.075,628 -0.1,629 -0.012,630 -0.021,631 -0.087,632 -0.023,633 0.054,634 0.162,635 -0.013,636 0.122,637 -0.026,638 0.121,639 -0.041,640 0.005,641 -0.181,642 -0.157,643 -0.026,644 -0.101,645 -0.033,646 -0.161,647 -0.065,648 -0.124,649 -0.07,650 -0.223,651 -0.017,652 -0.026,653 0.049,654 -0.068,655 0.012,656 -0.043,657 4.054,658 4.791,659 0.818,660 36.962,661 1.012,662 1.129,663 1.567,664 2.455,665 0.675,666 3.638,667 4.007,668 4.263,669 4.554,670 4.828,671 4.984,672 5.209,673 5.389,674 5.529,675 5.704,676 7.265,677 0.636,678 489.68,679 3.638,680 5.209,681 6.066,682 6.965,683 7.842,684 8.745,685 9.632,686 10.539,687 11.433,688 12.342,689 8.3,692 2,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,728 1,731 60,733 18,734 1,735 37,737 64,738 22,739 12,740 2,741 4,746 5,747 6,761 12,762 10,766 2,769 1,771 2,781 27,782 9,783 1,784 11,785 2,790 5,794 0.8,795 4,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 33,852 1,853 1,854 9,856 1,859 3,865 1,870 6.7,872 1,873 2,874 1,877 16.583,878 10.95,879 6.944,880 3.54,881 3.019,882 1.365,883 0.993,884 6.555,885 11.294,886 3.871,887 4.508,888 5.02,889 5.634,890 6.202,891 6.629,892 7.151,893 7.626,894 7.966,895 8.351,896 0.875,897 53,898 12.423,900 5.555,901 7.785,902 23.771,904 20.363,905 2.285,906 75.417,910 306.049,911 127.671,912 41.338,914 97.996,916 37.085,917 90.586,918 404.045,919 41.338,920 7.19,921 23.925,922 53.189,923 131.567,924 15.425,925 4.432,926 337.326,928 306.049,929 131.924,930 97.996,931 37.085,933 308.377,934 86.996,935 11,937 30.712,938 65.314,939 39.378,940 31.278,941 306.049,942 139.334,943 127.671,945 5.807,946 306.049,947 67.292,948 62.339,950 131.567,951 306.049,952 139.334,953 127.671,955 0.594,956 0.332,957 0.176,958 0.1,959 28,960 12,961 0.078,962 5,963 1,964 1.074,965 4.358,966 319.29,967 0.074,968 27,969 156.465,970 1,973 1,974 22.936,975 9.431,976 5.151,977 1.935,978 139.334,979 9.122,980 9.729,983 1.694,984 3.625,986 42.683,987 573.054,988 47,991 -3.138,993 23.583,999 60.691,1000 67.736,1001 0.3,1002 0.614,1003 0.776,1004 0.862,1005 0.862,1006 0.862,1007 5.147,1008 1.742,1009 6.089,1010 5.665,1011 4.691,1012 5.196,1013 1.661,1014 6.94,1015 4.546,1016 6.377,1017 1.541,1018 7.676,1019 4.811,1020 4.443,1021 5.293,1022 0.57,1023 8.044,1024 4.213,1025 7.725,1026 1.396,1027 9.369,1028 4.567,1029 6.365,1030 7.499,1031 1.271,1032 11.085,1033 6.084,1034 9.112,1035 1.245,1036 11.129,1037 3.91,1038 6.909,1039 8.412,1040 0.581,1041 13,1042 6.539,1043 10.535,1044 1.095,1045 12.931,1046 2.947,1047 8.352,1048 10.17,1049 1.026,1050 15.615,1051 7.931,1052 11.984,1053 1,1054 14.764,1055 2.533,1056 9.244,1057 11.422,1058 0.515,1059 17.843,1060 8.737,1061 13.452,1062 1,1063 16.619,1064 2.275,1065 10.509,1066 13.023,1067 0.841,1068 20.329,1069 9.943,1070 3.314,1071 0.536,1072 18.491,1073 2.136,1074 11.559,1075 14.418,1076 0.441,1077 22.681,1078 10.908,1079 3.224,1080 11.657,1081 20.377,1082 1.565,1083 12.759,1084 15.961,1085 0.689,1086 25.127,1087 12.044,1088 2.8,1089 11.116,1090 22.273,1091 4.578,1092 13.879,1093 17.42,1094 0.373,1095 27.529,1096 13.082,1097 2.665,1098 9.029,1099 24.178,1100 4.51,1101 15.059,1102 18.941,1103 0.564,1104 29.966,1105 14.192,1106 2.449,1107 8.286,1108 26.09,1109 3.805,1110 16.211,1111 20.428,1112 0.314,1113 32.388,1114 15.265,1115 2.23,1116 7.278,1117 28.007,1118 3.232,1119 17.387,1120 21.942,1121 0.461,1122 34.824,1123 16.368,1124 1.942,1125 6.129,1126 29.93,1127 2.985,1128 18.554,1129 23.442,1130 0.264,1131 37.256,1132 17.457,1133 14647,1134 25266,1135 24.849,1136 40.517,1137 56.397,1138 57.848,1139 56.932,1140 56.519,1141 56.453,1142 71.428,1143 6.298,1144 168.066,1145 52.29,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.578,1152 1.776,1153 18.903,1154 5.077,1155 15.906,1156 1.524,1157 1.563,1158 1.539,1159 1.528,1160 1.526,1161 1.93,1162 0.17,1163 4.542,1164 1.413,1165 4.109,1166 4.132,1167 4.722,1168 4.075,1169 7.716,1170 4.033,1171 4.004,1172 4,1173 4.337,1174 3.953,1175 6.999,1176 3.83,1177 3.862,1178 3.88,1179 3.857,1180 3.817,1181 6.471,1182 3.801,1183 3.738,1184 3.786,1185 3.655,1186 3.536,1187 5.04,1188 3.544,1189 3.639,1190 3.67,1191 3.59,1192 3.469,1193 4.616,1194 3.447,1195 3.301,1196 3.35,1197 3.341,1198 3.156,1199 4.582,1200 3.156,1201 3.111,1202 3.206,1203 2.949,1204 2.941,1205 4.363,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.194,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.124,1220 4.375,1221 0.025,1222 7.111,1223 0.315,1224 4.248,1225 0.083,1226 3.314,1227 4.578,1228 0.916,1229 11.657,1230 3.077,1231 1.937,1232 1.912,1233 2.014,1234 2.062,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.218,1242 2.046,1243 1.773,1244 1.74,1245 1.924,1246 1.943,1247 1.081,1248 1.942,1249 1.629,1250 1.611,1251 1.728,1252 1.785,1253 0.989,1254 1.819,1255 1.572,1256 1.537,1257 1.602,1258 1.738,1259 0.859,1260 1.752,1261 1.402,1262 1.38,1263 1.517,1264 1.51,1265 0.831,1266 1.562,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.837,1286 6.843,1287 10.503,1289 1.268,1294 9.934,1295 6.066,1297 5.534,1300 6.063,1305 38.135,1306 106.314,1307 217.446,1308 275.029,1309 305.659,1310 305.659,1311 305.659,1312 61.731,1313 8.275,1314 99.1,1315 135.72,1316 29,1317 12.861,1318 4.248,1319 3.459,1320 47.701,1321 145,1322 141,1323 0.163,1324 236.562,1325 403.36,1326 568.97,1327 44798,1329 23.001,1330 0.697,1331 0.609,1332 23.605,1333 20.108,1334 15.864,1335 0.429,1336 0.368,1337 11.001,1338 13.912,1339 10.532,1340 8.581,1341 17.167,1342 13.632,1343 15.406,1344 0.285,1345 0.213,1346 17.435,1347 11.505,1348 12.215,1349 0.174,1350 0.12,1351 13.759,1352 8.408,1353 10.408,1354 0.111,1355 0.066,1356 11.862,1357 6.227,1358 8.629,1359 0.07,1360 0.035,1361 9.89,1362 4.391,1363 0.255,1364 113.346,1365 0.201,1366 30.535,1367 0.45,1368 182,1369 551.303,1370 261.248,1371 563.314,1372 763.75,1373 524,1374 215,1375 516.978,1376 300.637,1377 568.237,1378 832.92,1379 532,1380 8.796}
{0 CHEMBL1086924,1 1.777,2 11.781,3 2.097,4 4.398,5 124.703,6 8.184,7 0.444,8 4.185,9 4.291,10 3.997,11 3.738,12 5.163,13 3.69,14 4.792,15 4.969,16 4.312,17 4.148,18 5.935,19 4.085,20 5.013,21 5.211,22 4.335,23 4.291,24 5.988,25 4.191,26 5.062,27 5.284,28 4.278,29 4.313,30 6.025,31 4.182,32 5.047,33 5.28,34 4.263,35 4.312,36 5.994,37 4.165,38 4.918,39 5.117,40 4.238,41 4.277,42 5.808,43 4.144,44 4.895,45 5.088,46 4.211,47 4.202,48 5.863,49 4.082,50 4.938,51 5.18,52 4.136,53 4.135,54 5.848,55 4.006,56 0.101,57 0.965,58 14.401,59 5.747,60 14.542,61 6.806,62 0.621,63 1.583,64 29.744,65 9.623,66 59.904,67 11.507,68 0.681,69 1.888,70 42.56,71 12.425,72 54.616,73 15.295,74 0.585,75 1.898,76 41.778,77 14.142,78 66.734,79 17.744,80 0.726,81 1.865,82 46.54,83 14.815,84 66.322,85 18.015,86 0.434,87 1.785,88 40.413,89 13.286,90 26.221,91 15.902,92 0.399,93 1.671,94 33.788,95 11.752,96 38.88,97 14.52,98 0.506,99 1.653,100 37.198,101 11.66,102 41.808,103 15.081,104 11,105 52,106 0.288,107 0.573,108 0.741,109 0.813,110 0.813,111 0.813,112 3.503,113 1.112,114 -2.31,115 -2.35,116 -2.31,119 36.2,124 1,125 9,142 3,143 1,145 2,146 1,147 1,149 1,152 2,172 2,174 5,175 5,183 2,186 2,187 8,198 3,199 5,207 1,211 4,212 1,220 2,223 3,224 5,232 2,236 1,237 4,245 1,249 1,250 6,262 5,263 2,275 1692,276 21.643,277 21.643,278 21.643,279 21.643,280 21.643,281 19.523,282 24.599,283 12.753,284 22.5,285 17.854,286 17.854,287 17.854,288 17.854,289 17.854,290 14.505,291 35.664,292 6.148,293 19.287,294 4.081,295 2.325,296 1.285,297 0.841,298 0.841,299 0.841,300 4.211,304 1,305 1,306 830,307 3.391,310 70.251,311 385.534,314 131.248,318 1.809,319 34.688,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 377,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.637,342 3.335,343 6.753,344 4.149,345 3.223,346 4.51,347 0.86,348 11.114,349 2.982,350 4.116,351 3.014,352 6.101,353 3.71,354 2.752,355 3.71,356 0.8,357 8.918,358 2.636,359 3.853,360 2.821,361 5.866,362 3.582,363 2.661,364 3.19,365 0.4,366 8.286,367 2.441,368 3.564,369 2.69,370 5.477,371 3.365,372 2.443,373 2.786,374 0.172,375 7.272,376 2.249,377 3.343,378 2.365,379 4.956,380 2.925,381 2,382 2.587,384 5.745,385 1.836,386 3.141,387 2.214,388 4.691,389 2.713,390 1.784,391 2.292,393 4.836,394 1.657,395 3.006,396 1.985,397 4.56,398 2.645,399 1.729,400 2.102,402 4.663,403 1.571,404 2.712,405 1.765,406 4.484,407 2.423,408 1.519,409 1.742,411 4.419,412 1.362,413 2.631,414 1.544,415 3.799,416 2.138,417 1.261,418 1.655,420 3.023,421 1.102,422 2.5,423 1.256,424 3.512,425 2.059,426 1.131,427 1.5,428 2.697,429 1.035,430 2.377,431 1.164,432 3.414,433 1.967,434 1,435 1.362,436 2.275,437 0.965,438 2,439 1.146,440 3.36,441 1.955,442 1,443 1,445 2.136,446 0.953,447 2,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.93,457 0.612,458 3.247,459 1.402,460 0.534,461 0.732,463 1.548,464 0.454,465 15.567,466 0.486,467 0.874,468 0.027,469 40,470 1.25,471 17.5,472 0.547,473 22.5,474 0.703,475 30.941,476 0.967,477 35.433,478 0.611,479 29.53,480 0.923,481 7.414,482 0.232,483 8.057,484 0.252,485 0.075,486 0.054,487 0.27,493 0.655,494 1.614,495 0.765,496 1.246,497 0.631,498 1.023,499 1.076,500 0.997,501 0.969,502 0.842,503 0.578,504 0.812,505 1.188,506 1.124,507 1.189,508 1.1,509 1.074,510 1.013,511 0.915,512 1.022,513 0.961,514 0.987,515 1.137,516 1.019,517 0.851,518 0.884,519 1.108,520 0.962,521 0.998,522 0.895,523 0.672,524 1.125,525 1.316,526 1.33,527 0.426,528 1.153,529 0.896,530 1.267,531 0.913,532 1.089,533 0.844,534 1.212,535 0.854,536 1.012,537 0.894,538 0.963,539 0.579,540 1.002,541 7,542 0.145,543 3.333,544 2.069,545 1.369,546 1.4,547 0.719,548 0.416,549 0.31,550 0.259,551 14533,552 41904,553 2.147,554 44.8,556 24,558 2,564 1.747,565 2.032,566 3.504,567 -0.65,569 1,573 103.048,574 1.777,575 3.533,576 4.573,577 5.017,578 5.017,579 5.017,580 2.966,581 4.226,582 4.967,583 3.719,584 1844.62,585 8.706,586 26727.4,591 339.763,592 1.438,593 4.937,594 0.194,595 0.005,596 0.064,597 0.041,598 0.029,599 0.029,600 0.015,601 0.01,602 0.008,603 0.008,604 0.403,605 0.33,606 0.63,607 0.633,608 167.486,609 0.069,610 -0.383,611 0.192,612 -0.138,613 -0.096,614 -0.032,615 0.011,616 0.142,617 0.008,618 0.141,619 0.237,620 0.111,621 -0.165,622 -0.051,623 -0.134,624 -0.057,625 -0.105,626 -0.047,627 -0.052,628 -0.033,629 -0.018,630 -0.008,631 -0.091,632 -0.024,633 0.006,634 0.118,635 -0.015,636 0.114,637 -0.074,638 0.124,639 -0.015,640 -0.011,641 -0.188,642 -0.179,643 -0.024,644 -0.124,645 -0.076,646 -0.227,647 -0.067,648 -0.152,649 -0.107,650 -0.239,651 -0.043,652 -0.014,653 0.031,654 -0.031,655 0.01,656 -0.027,657 4.038,658 4.782,659 0.844,660 35.305,661 1.01,662 1.131,663 1.08,664 1.167,665 0.678,666 3.611,667 3.97,668 4.234,669 4.522,670 4.796,671 4.949,672 5.176,673 5.347,674 5.472,675 5.642,676 7.138,677 0.636,678 474.67,679 3.611,680 5.176,681 6.033,682 6.929,683 7.806,684 8.707,685 9.595,686 10.5,687 11.394,688 12.302,689 10.3,692 2,695 1,699 3,703 2,704 5,705 3,708 1,709 4,711 16,726 1,731 58,733 18,735 36,737 62,738 21,739 11,746 5,747 6,761 11,762 10,766 2,769 1,771 2,778 1,781 26,782 9,784 11,785 2,790 6,794 0.8,795 3,805 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 32,852 1,854 9,856 1,859 3,865 1,870 5.2,873 2,874 1,877 15.75,878 10.7,879 6.778,880 3.457,881 2.974,882 1.363,883 1.011,884 6.3,885 11.171,886 3.85,887 4.474,888 4.99,889 5.601,890 6.168,891 6.588,892 7.117,893 7.581,894 7.894,895 8.269,896 0.875,897 51,898 12.034,900 5.341,901 7.711,902 23.166,904 19.768,905 2.211,906 70.75,910 306.049,911 126.814,912 58.124,914 55.313,916 37.085,917 89.728,918 361.361,919 58.124,920 7.19,921 23.925,922 34.236,923 129.212,924 33.52,925 4.432,926 313.784,928 306.049,929 147.852,930 55.313,931 37.085,933 308.377,934 44.313,935 11,937 48.807,938 46.361,939 56.164,940 31.278,941 306.049,942 113.437,943 126.814,945 5.807,946 306.049,947 67.292,948 61.481,950 105.669,951 306.049,952 113.437,953 126.814,955 0.59,956 0.332,957 0.178,958 0.1,959 27,960 11,961 0.081,962 5,963 1,964 1.074,965 4.315,966 305.54,967 0.074,968 27,969 150,970 1,973 1,974 21.961,975 9.18,976 4.914,977 2.027,978 113.437,979 9.558,980 14.014,983 1.725,984 3.738,987 546.299,988 46,991 -3.122,993 23.563,999 58.582,1000 65.61,1001 0.303,1002 0.603,1003 0.781,1004 0.857,1005 0.857,1006 0.857,1007 5.118,1008 1.729,1009 6.047,1010 4.836,1011 4.654,1012 5.162,1013 1.661,1014 6.897,1015 4.503,1016 6.339,1017 1.519,1018 7.631,1019 4.663,1020 4.369,1021 5.223,1022 0.57,1023 8.009,1024 4.139,1025 7.682,1026 1.261,1027 9.325,1028 4.419,1029 6.323,1030 7.458,1031 1.271,1032 11.053,1033 6.031,1034 9.066,1035 1.131,1036 11.088,1037 3.023,1038 6.858,1039 8.362,1040 0.581,1041 12.982,1042 6.483,1043 10.49,1044 1,1045 12.895,1046 2.697,1047 8.315,1048 10.134,1049 1.026,1050 15.597,1051 7.879,1052 11.94,1053 1,1054 14.733,1055 2.275,1056 9.207,1057 11.385,1058 0.515,1059 17.833,1060 8.69,1061 13.411,1062 1,1063 16.593,1064 2.136,1065 10.479,1066 12.993,1067 0.841,1068 20.318,1069 9.896,1070 3.314,1071 0.534,1072 18.47,1073 2.136,1074 11.531,1075 14.39,1076 0.441,1077 22.673,1078 10.867,1079 3.223,1080 11.657,1081 20.359,1082 1.548,1083 12.735,1084 15.938,1085 0.689,1086 25.12,1087 12.001,1088 2.752,1089 11.114,1090 22.258,1091 4.577,1092 13.857,1093 17.398,1094 0.373,1095 27.523,1096 13.044,1097 2.661,1098 8.918,1099 24.165,1100 4.51,1101 15.04,1102 18.922,1103 0.564,1104 29.961,1105 14.154,1106 2.443,1107 8.286,1108 26.079,1109 3.71,1110 16.193,1111 20.411,1112 0.314,1113 32.383,1114 15.229,1115 2,1116 7.272,1117 27.999,1118 3.19,1119 17.371,1120 21.927,1121 0.461,1122 34.82,1123 16.332,1124 1.784,1125 5.745,1126 29.923,1127 2.786,1128 18.539,1129 23.429,1130 0.264,1131 37.252,1132 17.423,1133 13588,1134 23225,1135 24.444,1136 39.307,1137 54.773,1138 56.091,1139 54.746,1140 54.845,1141 54.794,1142 69.592,1143 6.298,1144 161.706,1145 50.618,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.577,1152 1.776,1153 18.902,1154 5.017,1155 13.538,1156 1.521,1157 1.558,1158 1.521,1159 1.523,1160 1.522,1161 1.933,1162 0.175,1163 4.492,1164 1.406,1165 4.106,1166 4.13,1167 4.722,1168 4.071,1169 7.716,1170 4.028,1171 4.004,1172 4,1173 4.336,1174 3.953,1175 6.999,1176 3.829,1177 3.827,1178 3.862,1179 3.823,1180 3.748,1181 5.066,1182 3.741,1183 3.738,1184 3.786,1185 3.651,1186 3.535,1187 4.832,1188 3.543,1189 3.636,1190 3.668,1191 3.59,1192 3.469,1193 4.611,1194 3.445,1195 3.29,1196 3.344,1197 3.322,1198 3.138,1199 4.378,1200 3.139,1201 3.111,1202 3.206,1203 2.942,1204 2.941,1205 4.207,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.975,1212 2.91,1213 0.132,1214 0.122,1215 0.198,1216 0.118,1217 0.092,1218 4.743,1219 0.127,1220 4.375,1221 0.025,1222 7.111,1223 0.324,1224 4.248,1225 0.085,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.91,1232 1.877,1233 1.986,1234 2.058,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.968,1240 2.04,1241 1.217,1242 2.039,1243 1.747,1244 1.706,1245 1.91,1246 1.933,1247 1.008,1248 1.929,1249 1.626,1250 1.61,1251 1.721,1252 1.78,1253 0.985,1254 1.818,1255 1.567,1256 1.531,1257 1.601,1258 1.734,1259 0.843,1260 1.744,1261 1.402,1262 1.38,1263 1.516,1264 1.509,1265 0.825,1266 1.561,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.822,1278 1.429,1279 4.29,1281 5.638,1282 2.398,1283 7.177,1284 4.727,1285 8.797,1286 6.843,1287 10.462,1289 1.278,1295 6.297,1297 5.541,1300 6.13,1305 36.915,1306 103.048,1307 204.895,1308 265.234,1309 291.008,1310 291.008,1311 291.008,1312 54.481,1313 8.197,1314 91.76,1315 128.38,1316 29,1317 12.822,1318 4.248,1319 3.459,1320 45.605,1321 139,1322 132,1323 0.163,1324 229.767,1325 388.27,1326 552.392,1327 40907,1329 22.131,1330 0.692,1331 0.613,1332 22.735,1333 19.608,1334 15.47,1335 0.43,1336 0.371,1337 10.714,1338 13.515,1339 10.252,1340 8.358,1341 16.773,1342 13.348,1343 14.772,1344 0.284,1345 0.215,1346 16.802,1347 11.196,1348 11.887,1349 0.175,1350 0.121,1351 13.432,1352 8.223,1353 10.104,1354 0.111,1355 0.067,1356 11.558,1357 6.077,1358 8.4,1359 0.07,1360 0.036,1361 9.661,1362 4.289,1363 0.255,1364 110.905,1365 0.202,1366 29.797,1367 0.451,1368 176,1369 530.798,1370 254.532,1371 544.143,1372 741.46,1373 508,1374 208,1375 502.06,1376 293.475,1377 553.567,1378 811.11,1379 518,1380 7.678}
{0 CHEMBL1087397,1 1.643,2 15.289,3 5.612,4 31.489,5 141.376,6 8.316,7 0.667,8 4.24,9 4.354,10 3.895,11 3.808,12 5.436,13 3.808,14 4.765,15 4.923,16 4.323,17 4.191,18 6.298,19 4.186,20 4.948,21 5.115,22 4.336,23 4.339,24 6.168,25 4.3,26 5.122,27 5.353,28 4.333,29 4.333,30 6.315,31 4.292,32 5.019,33 5.218,34 4.294,35 4.286,36 6.259,37 4.253,38 5.003,39 5.219,40 4.219,41 4.237,42 6.419,43 4.176,44 4.862,45 5.084,46 4.058,47 4.158,48 5.947,49 4.085,50 4.795,51 4.991,52 4.104,53 4.11,54 6.032,55 4.066,56 0.124,57 1.132,58 9.847,59 5.469,60 18.196,61 6.312,62 0.901,63 2.166,64 20.967,65 8.82,66 135.763,67 10.373,68 0.335,69 2.08,70 24.219,71 11.505,72 32.347,73 14.044,74 0.744,75 2.326,76 37.205,77 13.575,78 98.513,79 17.014,80 0.613,81 2.15,82 29.978,83 11.627,84 74.22,85 13.989,86 1.136,87 2.016,88 31.823,89 11.594,90 165.885,91 14.847,92 0.497,93 1.736,94 27.153,95 11.107,96 63.846,97 14.415,98 0.451,99 1.734,100 23.179,101 9.787,102 41.092,103 12.119,104 42,105 61,106 0.259,107 0.559,108 0.712,109 0.83,110 0.857,111 0.857,112 3.668,113 0.846,114 -6.27,115 -6.11,116 -5.67,119 46.8,124 2,125 1,132 1,142 13,143 6,144 1,145 2,152 1,158 1,161 1,166 1,172 17,174 1,175 8,178 1,180 3,183 19,186 1,187 11,192 4,195 12,199 16,204 3,207 6,212 14,215 1,217 2,220 11,224 7,227 1,232 16,236 1,237 3,240 1,242 1,245 19,249 4,250 3,255 1,258 15,262 1,263 6,268 2,271 10,275 2978,276 25.212,277 25.212,278 25.212,279 25.212,280 25.212,281 21.964,282 19.039,283 14.622,284 25.748,285 20.765,286 20.765,287 20.765,288 20.765,289 20.765,290 15.791,291 24.539,292 6.941,293 21.706,294 4.311,295 2.411,296 1.438,297 0.694,298 0.52,299 0.52,300 4.369,306 1253,307 4.359,310 85.835,311 474.157,314 160.617,318 2.673,319 49.127,322 0.5,323 0.67,324 0.67,325 0.4,326 0.5,327 0.67,328 1,329 0.63,330 84,331 581,332 4.687,333 4.461,334 7.118,335 4.216,336 3.324,337 4.645,338 3.825,339 11.699,340 3.132,341 4.47,342 3.571,343 6.879,344 4.19,345 3.254,346 3.936,347 1.058,348 11.508,349 2.967,350 4.234,351 3.254,352 6.326,353 3.866,354 2.879,355 3.849,356 0.916,357 9.582,358 2.831,359 4.082,360 2.932,361 6.052,362 3.752,363 2.768,364 3.6,365 0.172,366 8.708,367 2.66,368 3.957,369 2.807,370 5.652,371 3.567,372 2.588,373 3.338,375 7.592,376 2.53,377 3.723,378 2.509,379 5.418,380 3.358,381 2.388,382 3.136,384 7.139,385 2.312,386 3.433,387 2.317,388 5.249,389 3.074,390 2.116,391 2.719,393 6.446,394 2.023,395 3.197,396 2.239,397 4.718,398 2.818,399 1.873,400 2.395,402 4.956,403 1.756,404 3.053,405 2.019,406 4.627,407 2.721,408 1.759,409 2.321,411 4.681,412 1.661,413 3.028,414 1.607,415 4.408,416 2.494,417 1.547,418 2.157,420 4.31,421 1.467,422 2.895,423 1.549,424 4.057,425 2.445,426 1.471,427 1.991,428 3.618,429 1.423,430 2.651,431 1.52,432 4.027,433 2.176,434 1.189,435 1.715,436 3.126,437 1.169,438 2.596,439 1.183,440 3.919,441 2.118,442 1.138,443 1.62,445 2.864,446 1.097,447 2.544,448 1.15,449 3.49,450 2.016,451 1.055,452 1.564,454 2.546,455 1.011,456 2.526,457 1.065,458 3.461,459 2.014,460 1,461 1.5,463 2.402,464 1.009,465 17.69,466 0.466,467 1.158,468 0.03,469 52.5,470 1.382,471 28,472 0.737,473 24.5,474 0.645,475 30.176,476 0.794,477 39.91,478 0.644,479 47.715,480 1.256,481 10.839,482 0.285,483 7.347,484 0.193,485 0.124,486 0.028,487 0.328,490 3,493 0.559,494 0.997,495 0.651,496 0.993,497 0.566,498 0.888,499 0.506,500 0.75,501 0.715,502 0.817,503 0.382,504 0.813,505 0.623,506 1.032,507 0.892,508 1.199,509 0.55,510 1.149,511 0.948,512 0.922,513 0.872,514 0.871,515 0.888,516 0.847,517 0.947,518 0.965,519 1.006,520 1.015,521 0.895,522 1.017,523 0.619,524 0.685,525 0.96,526 0.883,527 0.606,528 0.983,529 0.599,530 0.79,531 0.852,532 0.948,533 0.612,534 0.973,535 0.679,536 0.872,537 0.897,538 1.028,539 0.635,540 1.028,541 9,542 0.288,543 4.667,544 2.785,545 2.023,546 1.501,547 0.79,548 0.629,549 0.436,550 0.401,551 24187,552 74999,553 2.075,554 38.7,556 21,558 2,559 1,564 1.785,565 1.924,566 3.872,567 -0.374,573 101.875,574 1.643,575 3.543,576 4.517,577 5.26,578 5.434,579 5.434,580 3.37,581 4.754,582 5.215,583 4.081,584 2869.14,585 9.175,586 48703,591 369.16,592 1.584,593 5.165,594 0.214,595 0.007,596 0.077,597 0.045,598 0.033,599 0.026,600 0.015,601 0.013,602 0.009,603 0.009,604 0.448,605 0.17,606 0.63,607 0.92,608 213.177,609 -0.005,610 -0.069,611 0.04,612 -0.029,613 -0.087,614 0.004,615 0.346,616 0.277,617 0.117,618 0.135,619 0.395,620 0.083,621 -0.013,622 -0.19,623 -0.077,624 -0.23,625 0.026,626 -0.192,627 -0.079,628 -0.042,629 0.124,630 0.103,631 -0.034,632 0.161,633 -0.112,634 -0.083,635 -0.086,636 -0.069,637 -0.081,638 -0.066,639 0.232,640 0.177,641 0.002,642 0.073,643 0.233,644 -0.004,645 0.031,646 -0.002,647 0.077,648 0.042,649 -0.009,650 0.063,651 0.028,652 -0.028,653 -0.007,654 -0.068,655 0.036,656 -0.056,657 5.778,658 5.688,659 0.711,660 51.374,661 1.018,662 1.134,663 5.04,664 25.401,665 0.688,666 3.761,667 4.127,668 4.382,669 4.663,670 4.905,671 5.011,672 5.204,673 5.352,674 5.451,675 5.598,676 8.877,677 0.674,678 515.58,679 3.761,680 5.333,681 6.188,682 7.086,683 7.961,684 8.86,685 9.745,686 10.645,687 11.535,688 12.438,689 8.1,692 1,696 1,697 1,699 2,703 1,704 15,705 2,709 8,711 28,718 1,731 62,733 29,734 3,735 42,737 66,738 29,739 24,740 6,741 12,742 1,746 5,747 6,752 1,757 1,761 25,762 4,766 1,771 1,775 1,779 3,781 24,782 8,783 1,784 9,790 5,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,836 1,840 4,844 2,846 3,848 38,854 1,855 1,859 1,860 1,869 3,870 1.6,873 1,877 19.75,878 11.895,879 8.083,880 3.479,881 5.56,882 1.629,883 1.021,884 6.923,885 14.402,886 4.06,887 4.707,888 5.331,889 5.971,890 6.552,891 6.911,892 7.427,893 7.896,894 8.287,895 8.741,896 1,897 62,898 14.531,900 6.735,901 8.05,902 26.118,904 21.459,905 2.55,906 96.917,910 270.735,911 198.991,912 55.748,914 25.145,915 44.88,917 198.991,918 295.88,919 100.628,920 16.793,921 20.116,922 123.191,923 88.556,924 89.134,925 2.757,926 247.193,927 7.76,928 270.735,929 254.738,930 70.025,933 270.735,934 70.025,937 51.974,938 169.316,939 33.449,941 315.616,942 80.892,943 198.991,946 278.495,947 33.153,948 162.367,949 18.011,950 103.474,951 270.735,952 125.773,953 198.991,955 0.593,956 0.334,957 0.179,958 0.099,959 30,960 14,961 0.091,962 6,963 1,964 1.074,965 4.756,966 376.504,967 0.074,968 27,969 188.666,974 25.504,975 10.315,976 5.589,977 0.682,978 124.609,979 24.936,980 9.109,984 4.082,986 18.011,987 595.499,988 57,993 12.688,997 -0.632,999 63.094,1000 70.287,1001 0.276,1002 0.595,1003 0.759,1004 0.883,1005 0.913,1006 0.913,1007 5.313,1008 1.873,1009 6.213,1010 6.446,1011 4.812,1012 5.396,1013 3.202,1014 7.067,1015 4.731,1016 6.553,1017 1.759,1018 7.804,1019 4.956,1020 4.575,1021 5.255,1022 3.911,1023 8.184,1024 4.373,1025 7.881,1026 1.547,1027 9.504,1028 4.681,1029 6.485,1030 7.646,1031 5.435,1032 11.231,1033 6.307,1034 9.246,1035 1.471,1036 11.268,1037 4.31,1038 7.04,1039 8.318,1040 6.69,1041 13.159,1042 6.736,1043 10.642,1044 1.189,1045 13.075,1046 3.618,1047 8.473,1048 10.203,1049 8.059,1050 15.782,1051 8.171,1052 12.062,1053 1.138,1054 14.912,1055 3.126,1056 9.373,1057 11.278,1058 9.389,1059 18.019,1060 8.956,1061 13.499,1062 1.055,1063 16.771,1064 2.864,1065 10.632,1066 12.942,1067 10.734,1068 20.514,1069 10.188,1070 3.324,1071 1,1072 18.646,1073 2.546,1074 11.684,1075 14.229,1076 12.074,1077 22.873,1078 11.141,1079 3.254,1080 11.699,1081 20.534,1082 2.402,1083 12.881,1084 15.797,1085 13.416,1086 25.33,1087 12.291,1088 2.879,1089 11.508,1090 22.432,1091 4.645,1092 14.002,1093 17.195,1094 14.758,1095 27.739,1096 13.322,1097 2.768,1098 9.582,1099 24.338,1100 3.936,1101 15.181,1102 18.726,1103 16.1,1104 30.186,1105 14.441,1106 2.588,1107 8.708,1108 26.25,1109 3.849,1110 16.333,1111 20.184,1112 17.441,1113 32.617,1114 15.511,1115 2.388,1116 7.592,1117 28.169,1118 3.6,1119 17.509,1120 21.703,1121 18.783,1122 35.063,1123 16.621,1124 2.116,1125 7.139,1126 30.092,1127 3.338,1128 18.676,1129 23.193,1130 20.124,1131 37.504,1132 17.711,1133 22938,1134 40821,1135 27.739,1136 42.671,1137 65.198,1138 64.825,1139 65.461,1140 64.208,1141 63.961,1142 85.756,1143 11.945,1144 190.108,1145 61.306,1146 5.522,1147 6.461,1148 6.667,1149 5.287,1150 5.324,1151 7.645,1152 5.335,1153 19.249,1154 5.132,1155 21.541,1156 1.552,1157 1.543,1158 1.559,1159 1.529,1160 1.523,1161 2.042,1162 0.284,1163 4.526,1164 1.46,1165 4.155,1166 4.201,1167 4.132,1168 4.03,1169 8.513,1170 4.046,1171 3.964,1172 3.989,1173 3.927,1174 3.885,1175 7.999,1176 3.888,1177 3.907,1178 3.94,1179 3.849,1180 3.845,1181 7.999,1182 3.843,1183 3.807,1184 3.849,1185 3.749,1186 3.688,1187 7.429,1188 3.7,1189 3.546,1190 3.631,1191 3.432,1192 3.343,1193 5.136,1194 3.348,1195 3.415,1196 3.447,1197 3.394,1198 3.195,1199 4.738,1200 3.216,1201 3.308,1202 3.361,1203 3.221,1204 3.14,1205 4.699,1206 3.167,1207 3.199,1208 3.25,1209 3.144,1210 2.94,1211 4.647,1212 2.976,1213 0.112,1214 0.106,1215 0.169,1216 0.1,1217 0.079,1218 4.687,1219 0.111,1220 4.461,1221 0.091,1222 7.118,1223 0.279,1224 4.216,1225 0.075,1226 3.324,1227 4.645,1228 3.825,1229 11.699,1230 3.132,1231 1.99,1232 1.962,1233 2.07,1234 2.11,1235 1.219,1236 2.094,1237 1.937,1238 1.914,1239 2.039,1240 2.027,1241 1.16,1242 2.032,1243 1.904,1244 1.88,1245 1.997,1246 2.002,1247 1.105,1248 2,1249 1.705,1250 1.66,1251 1.822,1252 1.869,1253 0.943,1254 1.859,1255 1.531,1256 1.455,1257 1.769,1258 1.772,1259 0.826,1260 1.78,1261 1.325,1262 1.269,1263 1.484,1264 1.527,1265 0.609,1266 1.499,1267 1.234,1268 1.208,1269 1.417,1270 1.498,1271 0.469,1272 1.449,1273 1.051,1274 1.005,1275 1.344,1276 1.356,1277 0.379,1278 1.308,1279 4.443,1281 5.796,1282 2.398,1283 7.334,1284 4.727,1285 8.954,1286 6.862,1287 10.618,1289 4.048,1291 39.158,1295 0.845,1296 2.69,1300 2.105,1301 -4.528,1305 41.766,1306 101.875,1307 219.696,1308 280.035,1309 326.141,1310 336.896,1311 336.896,1312 80.41,1313 8.842,1314 62.53,1315 62.53,1316 29,1317 12.961,1318 4.907,1319 4,1320 59.315,1321 201,1322 216,1323 0.142,1324 252.56,1325 439,1326 608.007,1327 106294,1328 4.8,1329 26.863,1330 0.707,1331 0.545,1332 24.363,1333 20.698,1334 18.186,1335 0.433,1336 0.282,1337 11.647,1338 17.421,1339 11.354,1340 9.439,1341 16.974,1342 11.847,1343 17.569,1344 0.288,1345 0.15,1346 15.612,1347 9.172,1348 13.738,1349 0.174,1350 0.076,1351 12.775,1352 6.033,1353 11.768,1354 0.112,1355 0.041,1356 11.235,1357 4.265,1358 9.644,1359 0.072,1360 0.021,1361 9.117,1362 2.852,1363 0.228,1364 114.577,1365 0.19,1366 34.775,1367 0.375,1368 206,1369 758.982,1370 234.945,1371 663.453,1372 885.49,1373 616,1374 243,1375 639.281,1376 267.265,1377 635.626,1378 947.85,1379 594,1380 5.699}
{0 CHEMBL1088745,1 1.552,2 15.425,3 2.976,4 8.859,5 153.12,6 7.695,7 0.489,8 4.364,9 4.468,10 3.959,11 3.904,12 5.496,13 3.9,14 4.908,15 5.069,16 4.344,17 4.318,18 5.991,19 4.301,20 5.169,21 5.358,22 4.458,23 4.484,24 6.279,25 4.442,26 5.249,27 5.436,28 4.445,29 4.522,30 6.428,31 4.462,32 5.272,33 5.481,34 4.339,35 4.493,36 6.348,37 4.413,38 5.194,39 5.409,40 4.302,41 4.447,42 6.217,43 4.36,44 5.139,45 5.357,46 4.304,47 4.381,48 6.198,49 4.317,50 5.08,51 5.257,52 4.315,53 4.349,54 6.305,55 4.306,56 0.085,57 1.006,58 13.552,59 6.384,60 16.204,61 7.817,62 0.356,63 1.695,64 26.389,65 10.285,66 30.234,67 13.208,68 0.6,69 2.067,70 36.952,71 14.052,72 60.034,73 18.313,74 0.668,75 2.156,76 40.495,77 15.834,78 105.109,79 20.425,80 0.754,81 2.17,82 43.446,83 16.029,84 100.32,85 20.905,86 0.566,87 2.058,88 39.346,89 15.256,90 68.039,91 20.605,92 0.463,93 1.932,94 37.675,95 14.261,96 62.146,97 19.169,98 0.623,99 1.8,100 34.329,101 13.064,102 88.593,103 16.398,104 31,105 65,106 0.24,107 0.583,108 0.753,109 0.848,110 0.861,111 0.861,112 3.718,113 0.897,114 -3.62,115 -3.59,116 -3.42,119 44.3,120 1,125 7,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 13,174 2,175 11,180 2,183 16,186 2,187 11,190 1,192 1,195 14,199 14,202 2,204 1,207 13,211 2,212 10,217 1,220 12,223 2,224 12,227 1,229 1,232 9,236 1,237 15,242 1,245 8,250 11,253 2,255 2,258 9,262 4,263 8,266 1,268 4,271 10,275 3472,276 27.532,277 27.532,278 27.532,279 27.532,280 27.532,281 24.622,282 24.946,283 15.939,284 28.092,285 22.086,286 22.086,287 22.086,288 22.086,289 22.086,290 17.418,291 27.993,292 7.34,293 22.953,294 4.577,295 2.352,296 1.254,297 0.639,298 0.554,299 0.554,300 4.431,305 1,306 1368,307 3.742,310 173.417,311 484.409,314 334.096,318 2.396,319 47.353,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 87,331 617,332 4.755,333 3.756,334 7.012,335 4.304,336 3.327,337 4.731,338 1.2,339 12.02,340 3.256,341 4.569,342 3.695,343 6.862,344 4.202,345 3.223,346 4.204,347 0.86,348 11.347,349 3.156,350 4.271,351 3.322,352 6.395,353 3.963,354 2.983,355 3.836,356 0.8,357 9.686,358 2.924,359 4.003,360 2.861,361 6.102,362 3.653,363 2.684,364 3.42,365 0.293,366 8.834,367 2.602,368 3.836,369 2.818,370 5.745,371 3.423,372 2.483,373 3.261,375 7.666,376 2.328,377 3.586,378 2.724,379 5.451,380 3.369,381 2.405,382 2.803,384 7.09,385 2.308,386 3.415,387 2.575,388 5.388,389 3.056,390 2.105,391 2.691,393 6.534,394 1.997,395 3.335,396 2.279,397 5.128,398 2.958,399 1.994,400 2.523,402 6.053,403 1.923,404 3.279,405 2.187,406 5.074,407 2.874,408 1.917,409 2.508,411 5.752,412 1.805,413 3.075,414 2.053,415 4.894,416 2.729,417 1.771,418 2.195,420 5.231,421 1.692,422 2.924,423 1.798,424 4.409,425 2.412,426 1.436,427 2.054,428 3.909,429 1.395,430 2.704,431 1.733,432 4.262,433 2.261,434 1.286,435 1.789,436 3.511,437 1.248,438 2.598,439 1.546,440 3.75,441 2.149,442 1.174,443 1.588,445 2.775,446 1.138,447 2.5,448 1.342,449 3.695,450 2.05,451 1.096,452 1.5,454 2.396,455 1.036,456 2.476,457 1.263,458 3.564,459 2,460 1.002,461 1.366,463 2.301,464 1,465 18.767,466 0.469,467 0.952,468 0.024,469 52.25,470 1.306,471 25.5,472 0.638,473 26.75,474 0.669,475 36.508,476 0.913,477 42.433,478 0.606,479 46.953,480 1.174,481 10.431,482 0.261,483 9.047,484 0.226,485 0.098,487 0.384,493 0.823,494 1.325,495 0.755,496 1.057,497 0.709,498 0.922,499 0.894,500 1.004,501 0.848,502 0.882,503 0.633,504 0.841,505 0.891,506 0.932,507 0.876,508 0.906,509 0.75,510 0.88,511 0.941,512 1.066,513 0.983,514 1.067,515 1.013,516 1.039,517 1.092,518 0.94,519 1.062,520 0.951,521 1.169,522 0.995,523 0.727,524 1.029,525 0.933,526 1.027,527 0.771,528 1.022,529 0.819,530 0.983,531 0.817,532 0.946,533 0.711,534 0.89,535 1.177,536 1.043,537 0.997,538 1.001,539 1.146,540 0.977,541 7,542 0.278,543 5.111,544 4.083,545 2.161,546 1.532,547 1.036,548 0.867,549 0.631,550 0.452,551 27577,552 73494,553 2.135,554 42.9,556 23,557 1,558 1,559 2,561 3,564 1.8,565 2,566 3.836,567 0.124,573 108.653,574 1.552,575 3.777,576 4.875,577 5.49,578 5.576,579 5.576,580 3.387,581 4.972,582 5.287,583 4.042,584 3152.78,585 9.338,586 54123.6,591 429.05,592 1.406,593 5.255,594 0.156,595 0.006,596 0.079,597 0.058,598 0.032,599 0.025,600 0.018,601 0.014,602 0.011,603 0.008,604 0.405,605 0.33,606 0.75,607 0.857,608 225.825,609 -0.068,610 -0.181,611 0.045,612 -0.028,613 -0.073,614 0.016,615 -0.06,616 0.136,617 0.034,618 0.092,619 -0.01,620 0.089,621 0.014,622 0.12,623 0.061,624 0.08,625 0.047,626 0.085,627 0.019,628 -0.067,629 -0.034,630 -0.063,631 0.048,632 -0.057,633 -0.103,634 0.043,635 -0.081,636 0.041,637 -0.129,638 -0.008,639 0.048,640 -0.036,641 0.02,642 -0.023,643 -0.037,644 -0.013,645 0.015,646 0.003,647 0.151,648 0.054,649 0.045,650 0.118,651 -0.053,652 -0.046,653 -0.033,654 -0.005,655 0.012,656 -0.015,657 2.031,658 6.136,659 0.75,660 52.93,661 1.008,662 1.121,663 2.388,664 5.703,665 0.674,666 3.829,667 4.19,668 4.543,669 4.86,670 5.1,671 5.236,672 5.447,673 5.631,674 5.759,675 5.927,676 8.676,677 0.65,678 538.65,679 3.829,680 5.398,681 6.286,682 7.192,683 8.096,684 9.009,685 9.92,686 10.836,687 11.751,688 12.67,689 5.7,692 1,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 70,733 25,734 2,735 45,737 75,738 31,739 19,740 5,741 7,742 4,746 6,747 8,752 2,761 23,762 8,766 3,771 2,773 1,775 3,781 30,782 8,783 2,784 9,790 4,794 0.667,795 5,796 1,805 1,807 1,811 2,812 4,815 2,831 2,836 1,838 1,840 4,844 1,848 40,853 2,854 7,856 1,859 2,870 7.1,871 1,872 1,873 2,875 1,877 20,878 12.867,879 8.806,880 4.401,881 5.205,882 1.559,883 0.987,884 7.258,885 14.519,886 4.094,887 4.721,888 5.387,889 6.021,890 6.59,891 7.006,892 7.529,893 8.029,894 8.448,895 8.926,896 1,897 71,898 14.899,900 6.583,901 7.825,902 28.302,904 23.933,905 2.325,906 93,910 329.591,911 165.382,912 24.933,914 146.656,917 165.382,918 476.247,919 24.933,920 8.825,921 15.759,922 137.017,923 138.327,924 48.815,925 11.771,926 306.049,928 329.591,929 190.315,930 146.656,933 294.278,934 139.286,935 42.683,937 40.37,938 118.44,939 31.505,941 329.591,942 171.59,943 165.382,946 329.591,947 53.175,948 120.354,950 163.442,951 329.591,952 171.59,953 165.382,955 0.584,956 0.363,957 0.205,958 0.109,959 33,960 15,961 0.08,962 6,963 2,964 1.133,965 4.901,966 421.639,967 0.133,968 30,969 204.877,974 26.419,975 10.989,976 4.879,977 1.645,978 169.691,979 17.988,980 4.62,984 3.643,985 2.017,986 85.367,987 666.562,988 59,993 26.182,995 1.704,997 -0.227,999 70.531,1000 78.438,1001 0.253,1002 0.616,1003 0.795,1004 0.896,1005 0.91,1006 0.91,1007 5.359,1008 1.994,1009 6.286,1010 6.534,1011 4.875,1012 5.409,1013 1.844,1014 7.159,1015 4.808,1016 6.578,1017 1.917,1018 7.883,1019 6.053,1020 4.511,1021 5.286,1022 0.57,1023 8.174,1024 4.42,1025 7.906,1026 1.771,1027 9.581,1028 5.752,1029 6.526,1030 7.659,1031 1.806,1032 11.323,1033 6.405,1034 9.273,1035 1.436,1036 11.338,1037 5.231,1038 7.013,1039 8.409,1040 0.801,1041 13.19,1042 6.878,1043 10.677,1044 1.286,1045 13.135,1046 3.909,1047 8.489,1048 10.256,1049 1.913,1050 15.864,1051 8.327,1052 12.106,1053 1.174,1054 14.959,1055 3.511,1056 9.357,1057 11.415,1058 1.074,1059 18.079,1060 9.183,1061 13.557,1062 1.096,1063 16.802,1064 2.775,1065 10.632,1066 13.06,1067 2.092,1068 20.602,1069 10.435,1070 3.327,1071 1.002,1072 18.661,1073 2.396,1074 11.672,1075 14.415,1076 1.404,1077 22.961,1078 11.46,1079 3.223,1080 12.02,1081 20.533,1082 2.301,1083 12.874,1084 15.981,1085 2.32,1086 25.437,1087 12.642,1088 2.983,1089 11.347,1090 22.414,1091 4.731,1092 13.99,1093 17.429,1094 1.768,1095 27.856,1096 13.74,1097 2.684,1098 9.686,1099 24.304,1100 4.204,1101 15.17,1102 18.969,1103 2.581,1104 30.319,1105 14.901,1106 2.483,1107 8.834,1108 26.2,1109 3.836,1110 16.319,1111 20.462,1112 2.15,1113 32.764,1114 16.031,1115 2.405,1116 7.666,1117 28.102,1118 3.42,1119 17.495,1120 21.996,1121 2.867,1122 35.227,1123 17.186,1124 2.105,1125 7.09,1126 30.009,1127 3.261,1128 18.66,1129 23.512,1130 2.538,1131 37.684,1132 18.332,1133 25583,1134 41970,1135 30.342,1136 47.193,1137 68.815,1138 70.817,1139 71.626,1140 68.136,1141 68.031,1142 88.131,1143 6.306,1144 203.711,1145 65.665,1146 5.755,1147 5.756,1148 6.782,1149 5.372,1150 5.327,1151 7.731,1152 2.293,1153 19.441,1154 5.256,1155 19.857,1156 1.529,1157 1.574,1158 1.592,1159 1.514,1160 1.512,1161 1.958,1162 0.14,1163 4.527,1164 1.459,1165 4.172,1166 4.203,1167 4.145,1168 4.083,1169 7.43,1170 4.094,1171 3.973,1172 3.977,1173 3.945,1174 3.885,1175 7.426,1176 3.897,1177 3.927,1178 3.973,1179 3.869,1180 3.813,1181 6.469,1182 3.821,1183 3.795,1184 3.85,1185 3.692,1186 3.62,1187 6.456,1188 3.63,1189 3.517,1190 3.576,1191 3.44,1192 3.392,1193 5.03,1194 3.398,1195 3.482,1196 3.516,1197 3.384,1198 3.329,1199 4.8,1200 3.331,1201 3.438,1202 3.5,1203 3.291,1204 3.218,1205 4.669,1206 3.225,1207 3.206,1208 3.258,1209 3.064,1210 3.059,1211 4.38,1212 3.053,1213 0.106,1214 0.083,1215 0.156,1216 0.096,1217 0.074,1218 4.755,1219 0.105,1220 3.756,1221 0.027,1222 7.012,1223 0.267,1224 4.304,1225 0.072,1226 3.327,1227 4.731,1228 1.2,1229 12.02,1230 3.256,1231 2.003,1232 1.984,1233 2.076,1234 2.087,1235 1.313,1236 2.084,1237 1.861,1238 1.849,1239 1.985,1240 2.018,1241 1.22,1242 2.011,1243 1.816,1244 1.776,1245 1.945,1246 1.951,1247 1.07,1248 1.947,1249 1.731,1250 1.674,1251 1.894,1252 1.912,1253 1.05,1254 1.91,1255 1.686,1256 1.639,1257 1.831,1258 1.826,1259 0.974,1260 1.828,1261 1.452,1262 1.411,1263 1.683,1264 1.669,1265 0.925,1266 1.672,1267 1.398,1268 1.332,1269 1.628,1270 1.623,1271 0.825,1272 1.625,1273 1.153,1274 1.109,1275 1.513,1276 1.376,1277 0.7,1278 1.429,1279 4.511,1281 5.861,1282 3.045,1283 7.413,1284 5.533,1285 9.055,1286 7.735,1287 10.744,1289 2.028,1294 19.349,1295 4.216,1297 5.826,1300 4.01,1305 45.508,1306 108.653,1307 264.39,1308 341.275,1309 384.295,1310 390.295,1311 390.295,1312 83.022,1313 9.314,1314 112.04,1315 112.04,1316 34,1317 13.18,1318 4.7,1319 3.907,1320 57.349,1321 203,1322 274,1323 0.134,1324 272.875,1325 480.73,1326 657.575,1327 182338,1329 27.802,1330 0.695,1331 0.555,1332 27.802,1333 22.209,1334 19.478,1335 0.433,1336 0.299,1337 13.256,1338 18.704,1339 13.006,1340 10.669,1341 19.478,1342 13.451,1343 17.44,1344 0.268,1345 0.153,1346 17.44,1347 9.952,1348 15.838,1349 0.17,1350 0.082,1351 15.838,1352 7.607,1353 13.821,1354 0.108,1355 0.043,1356 13.821,1357 5.486,1358 11.141,1359 0.068,1360 0.023,1361 11.141,1362 3.792,1363 0.212,1364 122.339,1365 0.182,1366 35.956,1367 0.36,1368 220,1369 644.086,1370 240.755,1371 616.194,1372 848.36,1373 578,1374 268,1375 628.654,1376 290.838,1377 633.002,1378 943.52,1379 599,1380 6.342}
{0 CHEMBL1088746,1 1.547,2 10.939,3 3.21,4 10.302,5 126.03,6 8.139,7 0.595,8 4.111,9 4.204,10 3.756,11 3.69,12 5.318,13 3.691,14 4.609,15 4.755,16 4.153,17 4.091,18 5.779,19 4.089,20 4.803,21 4.929,22 4.265,23 4.232,24 6.084,25 4.214,26 4.955,27 5.129,28 4.231,29 4.25,30 6.24,31 4.215,32 4.858,33 5.011,34 4.139,35 4.235,36 6.03,37 4.178,38 4.939,39 5.146,40 4.139,41 4.224,42 6.019,43 4.157,44 4.864,45 5.047,46 4.159,47 4.165,48 6.041,49 4.127,50 4.877,51 5.06,52 4.111,53 4.126,54 6.105,55 4.082,56 0.068,57 0.741,58 9.024,59 4.728,60 10.504,61 5.417,62 0.282,63 1.233,64 17.678,65 7.526,66 19.418,67 8.976,68 0.296,69 1.401,70 20.921,71 9.952,72 37.047,73 11.567,74 0.687,75 1.596,76 29.077,77 11.351,78 103.793,79 13.38,80 0.357,81 1.487,82 23.477,83 10.628,84 44.673,85 12.581,86 0.438,87 1.62,88 29.185,89 11.766,90 54.018,91 15.275,92 0.368,93 1.496,94 25.886,95 10.586,96 46.325,97 13.122,98 0.577,99 1.508,100 26.86,101 10.506,102 64.06,103 12.728,104 39,105 55,106 0.251,107 0.6,108 0.751,109 0.848,110 0.866,111 0.866,112 3.533,113 0.841,114 -4.13,115 -4.07,116 -3.85,119 48.1,124 3,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 13,174 2,175 10,180 2,183 16,186 1,187 11,192 1,195 14,199 13,202 2,204 1,207 11,211 1,212 11,217 1,220 10,223 2,224 12,229 1,232 7,236 1,237 10,242 1,245 6,249 4,250 9,253 1,255 1,258 6,263 5,266 1,268 2,271 8,275 1936,276 22.068,277 22.068,278 22.068,279 22.068,280 22.068,281 19.105,282 16.884,283 12.551,284 22.43,285 18.213,286 18.213,287 18.213,288 18.213,289 18.213,290 13.53,291 18.246,292 5.887,293 18.772,294 4.207,295 2.055,296 1.121,297 0.523,298 0.412,299 0.412,300 4.235,304 1,305 1,306 788,307 3.606,310 127.991,311 262.651,314 248.359,318 1.763,319 38.471,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 71.5,331 361,332 4.751,333 3.756,334 7.001,335 4.301,336 3.322,337 4.727,338 1.2,339 11.96,340 3.255,341 4.569,342 3.666,343 6.862,344 4.202,345 3.222,346 4.204,347 0.86,348 11.345,349 3.156,350 4.273,351 3.309,352 6.317,353 3.926,354 2.936,355 3.866,356 0.293,357 9.395,358 2.903,359 3.934,360 2.818,361 6.036,362 3.581,363 2.604,364 3.336,366 8.503,367 2.542,368 3.831,369 2.709,370 5.735,371 3.36,372 2.397,373 3.257,375 7.613,376 2.304,377 3.42,378 2.57,379 5.378,380 3.002,381 2.046,382 2.737,384 6.324,385 1.95,386 3.35,387 2.191,388 5.074,389 2.932,390 1.967,391 2.664,393 5.753,394 1.905,395 3.279,396 2.112,397 4.973,398 2.874,399 1.912,400 2.523,402 5.479,403 1.805,404 2.981,405 1.948,406 4.72,407 2.593,408 1.638,409 2.128,411 4.633,412 1.561,413 2.918,414 1.772,415 4.404,416 2.412,417 1.436,418 2.045,420 3.902,421 1.395,422 2.691,423 1.643,424 4.132,425 2.238,426 1.259,427 1.771,428 3.253,429 1.23,430 2.654,431 1.342,432 3.716,433 2.17,434 1.188,435 1.715,436 2.751,437 1.164,438 2.547,439 1.242,440 3.561,441 2.025,442 1.037,443 1.477,445 2.479,446 1.012,447 2.362,448 1.184,449 3.495,450 1.893,451 0.934,452 1.275,454 2.346,455 0.889,456 2.134,457 0.988,458 3.146,459 1.654,460 0.609,461 0.847,463 1.386,464 0.627,465 15.533,466 0.471,467 0.998,468 0.03,469 47.25,470 1.432,471 25.5,472 0.773,473 21.75,474 0.659,475 25.356,476 0.768,477 33.667,478 0.623,479 41.14,480 1.247,481 9.621,482 0.292,483 6.225,484 0.189,485 0.161,487 0.438,493 0.766,494 1.232,495 0.697,496 0.992,497 0.666,498 0.861,499 0.83,500 0.764,501 0.698,502 0.706,503 0.586,504 0.659,505 0.906,506 1.199,507 0.879,508 1.147,509 0.854,510 1.039,511 1.165,512 0.878,513 0.993,514 0.863,515 1.263,516 0.885,517 0.974,518 1.17,519 1.127,520 1.18,521 0.949,522 1.189,523 0.724,524 1.002,525 0.872,526 0.971,527 0.752,528 0.954,529 0.934,530 1.118,531 0.877,532 1.024,533 0.764,534 0.957,535 1.068,536 0.988,537 1.025,538 1.007,539 1.154,540 1.013,541 6.5,542 0.167,543 4.444,544 3.833,545 1.694,546 1.345,547 0.846,548 0.729,549 0.648,550 0.359,551 14463,552 41208,553 2.094,554 38.9,556 18,557 1,558 1,559 1,564 1.757,565 1.922,566 3.439,567 -0.382,569 1,573 83.559,574 1.547,575 3.7,576 4.634,577 5.231,578 5.343,579 5.343,580 2.89,581 4.984,582 5.017,583 3.615,584 1908.91,585 8.815,586 27439.7,588 1,591 310.764,592 1.501,593 4.959,594 0.176,595 0.006,596 0.081,597 0.065,598 0.03,599 0.026,600 0.017,601 0.014,602 0.013,603 0.009,604 0.437,605 0.5,606 0.88,607 0.906,608 172.286,609 -0.055,610 -0.166,611 0.044,612 -0.038,613 -0.094,614 0.007,615 -0.019,616 0.334,617 0.146,618 0.232,619 0.015,620 0.235,621 0.025,622 -0.207,623 -0.027,624 -0.17,625 0.035,626 -0.121,627 -0.031,628 0.108,629 -0.018,630 0.111,631 -0.009,632 0.066,633 -0.1,634 -0.18,635 -0.243,636 -0.201,637 -0.116,638 -0.245,639 0.054,640 -0.017,641 0.102,642 0.019,643 -0.006,644 0.059,645 -0.015,646 -0.125,647 0.078,648 -0.047,649 0.04,650 0.016,651 0.018,652 0.015,653 -0.041,654 -0.043,655 -0.039,656 -0.059,657 2.038,658 5.885,659 0.727,660 30.747,661 1.011,662 1.112,663 2.898,664 8.396,665 0.698,666 3.638,667 4.025,668 4.369,669 4.691,670 4.92,671 5.05,672 5.263,673 5.447,674 5.568,675 5.697,676 6.734,677 0.679,678 439.5,679 3.638,680 5.22,681 6.111,682 7.027,683 7.936,684 8.856,685 9.771,686 10.694,687 11.613,688 12.538,689 5.6,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 54,733 25,734 2,735 37,737 58,738 26,739 19,740 5,741 7,742 4,746 5,747 7,761 23,762 3,766 3,771 2,773 1,775 3,778 1,781 21,782 6,783 1,784 7,790 3,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 3,848 33,853 1,856 1,859 1,870 7.4,872 1,873 2,875 1,877 17.167,878 10.967,879 7.056,880 3.051,881 5.217,882 1.606,883 1.004,884 5.123,885 13.822,886 3.951,887 4.627,888 5.311,889 5.96,890 6.538,891 6.941,892 7.468,893 7.963,894 8.372,895 8.837,896 1,897 59,898 12.231,900 5.401,901 7.879,902 22.885,904 19.058,905 2.379,906 78.5,909 1,910 235.422,911 169.111,912 21.809,914 103.973,917 169.111,918 339.395,919 21.809,920 25.189,921 3.124,922 94.334,923 138.327,924 45.691,925 11.771,926 211.88,928 235.422,929 190.92,930 103.973,933 235.422,934 103.973,937 15.786,938 143.629,939 31.505,941 235.422,942 125.782,943 169.111,946 235.422,947 40.541,948 133.594,950 120.759,951 235.422,952 125.782,953 169.111,955 0.598,956 0.367,957 0.201,958 0.106,959 29,960 14,961 0.052,962 3,963 2,964 1.167,965 4.201,966 330.88,967 0.167,968 24,969 164.465,974 21.136,975 7.999,976 3.538,977 1.563,978 123.883,979 17.663,980 4.513,984 3.46,985 1.879,986 42.683,987 530.315,988 51,993 25.375,995 1.671,997 -0.325,999 54.567,1000 60.069,1001 0.269,1002 0.643,1003 0.805,1004 0.909,1005 0.928,1006 0.928,1007 5.218,1008 1.912,1009 6.133,1010 5.753,1011 4.71,1012 5.316,1013 1.679,1014 7.024,1015 4.656,1016 6.47,1017 1.638,1018 7.746,1019 5.479,1020 4.443,1021 5.255,1022 0.325,1023 8.069,1024 4.365,1025 7.812,1026 1.436,1027 9.459,1028 4.633,1029 6.382,1030 7.613,1031 1.728,1032 11.224,1033 6.287,1034 9.193,1035 1.259,1036 11.229,1037 3.902,1038 6.929,1039 8.386,1040 0.653,1041 13.105,1042 6.817,1043 10.607,1044 1.188,1045 13.036,1046 3.253,1047 8.372,1048 10.233,1049 1.872,1050 15.788,1051 8.244,1052 12.046,1053 1.037,1054 14.868,1055 2.751,1056 9.276,1057 11.402,1058 1.001,1059 18.01,1060 9.132,1061 13.504,1062 0.934,1063 16.719,1064 2.479,1065 10.54,1066 13.048,1067 2.071,1068 20.537,1069 10.378,1070 3.322,1071 0.609,1072 18.585,1073 2.346,1074 11.6,1075 14.407,1076 1.37,1077 22.899,1078 11.42,1079 3.222,1080 11.96,1081 20.462,1082 1.386,1083 12.801,1084 15.974,1085 2.309,1086 25.377,1087 12.603,1088 2.936,1089 11.345,1090 22.348,1091 4.727,1092 13.927,1093 17.423,1094 1.754,1095 27.796,1096 13.709,1097 2.604,1098 9.395,1099 24.241,1100 4.204,1101 15.108,1102 18.963,1103 2.576,1104 30.259,1105 14.872,1106 2.397,1107 8.503,1108 26.141,1109 3.866,1110 16.263,1111 20.456,1112 2.143,1113 32.703,1114 16.007,1115 2.046,1116 7.613,1117 28.046,1118 3.336,1119 17.44,1120 21.988,1121 2.865,1122 35.164,1123 17.164,1124 1.967,1125 6.324,1126 29.956,1127 3.257,1128 18.609,1129 23.504,1130 2.535,1131 37.619,1132 18.312,1133 13670,1134 23237,1135 24.391,1136 37.688,1137 58.087,1138 60.039,1139 59.98,1140 57.133,1141 57.014,1142 77.142,1143 4.706,1144 174.244,1145 55.393,1146 5.565,1147 5.756,1148 6.546,1149 5.366,1150 5.322,1151 7.727,1152 2.293,1153 19.39,1154 5.255,1155 18.728,1156 1.57,1157 1.623,1158 1.621,1159 1.544,1160 1.541,1161 2.085,1162 0.127,1163 4.709,1164 1.497,1165 4.167,1166 4.196,1167 4.141,1168 4.079,1169 7.43,1170 4.09,1171 3.973,1172 3.977,1173 3.945,1174 3.885,1175 7.426,1176 3.897,1177 3.893,1178 3.924,1179 3.845,1180 3.802,1181 6.468,1182 3.808,1183 3.57,1184 3.642,1185 3.475,1186 3.399,1187 5.034,1188 3.408,1189 3.483,1190 3.514,1191 3.412,1192 3.311,1193 4.8,1194 3.331,1195 3.388,1196 3.447,1197 3.279,1198 3.216,1199 4.673,1200 3.224,1201 3.069,1202 3.121,1203 2.966,1204 2.904,1205 4.383,1206 2.909,1207 3.006,1208 3.044,1209 2.886,1210 2.829,1211 4.246,1212 2.826,1213 0.128,1214 0.102,1215 0.189,1216 0.116,1217 0.09,1218 4.751,1219 0.128,1220 3.756,1221 0.032,1222 7.001,1223 0.323,1224 4.301,1225 0.088,1226 3.322,1227 4.727,1228 1.2,1229 11.96,1230 3.255,1231 2.002,1232 1.984,1233 2.072,1234 2.079,1235 1.224,1236 2.076,1237 1.861,1238 1.849,1239 1.945,1240 1.951,1241 1.051,1242 1.947,1243 1.777,1244 1.752,1245 1.872,1246 1.927,1247 0.98,1248 1.912,1249 1.652,1250 1.609,1251 1.794,1252 1.828,1253 0.885,1254 1.821,1255 1.489,1256 1.412,1257 1.756,1258 1.738,1259 0.818,1260 1.748,1261 1.365,1262 1.321,1263 1.555,1264 1.568,1265 0.614,1266 1.559,1267 1.067,1268 1.034,1269 1.417,1270 1.246,1271 0.469,1272 1.308,1273 0.966,1274 0.924,1275 1.234,1276 1.239,1277 0.296,1278 1.246,1279 4.317,1281 5.687,1282 3.045,1283 7.249,1284 5.533,1285 8.899,1286 7.727,1287 10.597,1289 5.316,1294 10.091,1297 5.756,1300 1.537,1305 36.665,1306 83.559,1307 199.816,1308 250.235,1309 282.499,1310 288.499,1311 288.499,1312 64.978,1313 8.605,1314 88.57,1315 88.57,1316 28,1317 13.044,1318 4.7,1319 3.907,1320 47.602,1321 130,1322 131,1323 0.176,1324 221.516,1325 386.8,1326 532.259,1327 72865,1329 23.275,1330 0.705,1331 0.556,1332 23.275,1333 18.364,1334 15.846,1335 0.428,1336 0.28,1337 10.217,1338 15.252,1339 9.879,1340 8.229,1341 15.846,1342 10.372,1343 14.935,1344 0.272,1345 0.148,1346 14.935,1347 8.123,1348 13.167,1349 0.169,1350 0.073,1351 13.167,1352 5.675,1353 11.337,1354 0.105,1355 0.038,1356 11.337,1357 4.122,1358 9.096,1359 0.067,1360 0.02,1361 9.096,1362 2.753,1363 0.271,1364 99.484,1365 0.202,1366 30.089,1367 0.498,1368 184,1369 556.292,1370 200.235,1371 538.546,1372 741.34,1373 502,1374 225,1375 554.97,1376 243.4,1377 566.004,1378 836.2,1379 530,1380 6.433}
{0 CHEMBL1088789,1 1.544,2 8.815,3 2.251,4 5.069,5 104.908,6 7.067,7 0.533,8 4.059,9 4.188,10 3.587,11 3.527,12 5.099,13 3.517,14 4.62,15 4.82,16 3.927,17 3.925,18 5.592,19 3.897,20 4.799,21 5.003,22 3.996,23 4.081,24 5.761,25 4.007,26 4.934,27 5.202,28 3.988,29 4.082,30 5.832,31 4.001,32 4.809,33 5.023,34 4.027,35 4.086,36 5.784,37 4.026,38 4.915,39 5.147,40 3.994,41 4.133,42 5.891,43 4.053,44 4.865,45 5.082,46 3.909,47 4.105,48 5.759,49 4,50 4.921,51 5.183,52 3.766,53 4.049,54 5.741,55 3.92,56 0.028,57 0.8,58 11.754,59 4.391,60 8.996,61 6.262,62 0.327,63 1.264,64 22.75,65 6.901,66 24.638,67 10.195,68 0.287,69 1.494,70 26.729,71 9.311,72 28.847,73 13.693,74 0.402,75 1.589,76 32.475,77 9.498,78 40.59,79 15.041,80 0.243,81 1.522,82 27.123,83 8.599,84 30.546,85 13.272,86 0.569,87 1.623,88 31.122,89 8.983,90 49.313,91 13.984,92 0.206,93 1.509,94 28.716,95 10.288,96 27.939,97 15.154,98 0.371,99 1.477,100 31.895,101 10.098,102 31.842,103 15.429,104 15,105 42,106 0.258,107 0.617,108 0.794,109 0.82,110 0.82,111 0.82,112 3.341,113 0.921,114 -2.92,115 -2.92,116 -2.82,119 38.5,124 2,125 6,142 4,143 3,146 1,147 1,149 1,151 1,152 1,172 6,174 2,175 4,180 2,183 6,186 1,187 4,190 3,192 2,195 3,198 2,199 7,202 1,204 2,207 1,211 1,212 4,217 2,220 2,223 2,224 3,227 3,229 2,232 2,236 1,237 5,242 2,245 1,250 4,253 1,255 2,262 1,263 3,267 1,275 1026,276 18.524,277 18.524,278 18.524,279 18.524,280 18.524,281 16.766,282 22.236,283 11.007,284 19.069,285 14.801,286 14.801,287 14.801,288 14.801,289 14.801,290 11.984,291 29.948,292 5.191,293 15.681,294 4.157,295 2.013,296 0.952,297 0.798,298 0.798,299 0.798,300 4.039,303 1,304 1,305 1,306 513,307 3,310 57.564,311 216.319,314 102.382,318 1.182,319 21.307,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 238,332 4.676,333 3.367,334 6.843,335 4.213,336 3.259,337 4.628,338 0.916,339 11.407,340 3.112,341 4.188,342 2.99,343 6.137,344 3.796,345 2.813,346 3.817,347 0.86,348 9.068,349 2.768,350 3.915,351 2.91,352 6.109,353 3.632,354 2.695,355 3.299,356 0.8,357 8.877,358 2.524,359 3.649,360 2.604,361 5.284,362 3.29,363 2.322,364 3.03,365 0.765,366 6.715,367 2.246,368 3.289,369 2.466,370 5.192,371 3.109,372 2.184,373 2.362,374 0.172,375 6.142,376 2.016,377 3.009,378 2.27,379 4.633,380 2.777,381 1.857,382 2.178,384 4.806,385 1.704,386 2.97,387 1.828,388 4.385,389 2.474,390 1.519,391 2.053,393 4.177,394 1.447,395 2.698,396 1.608,397 4.178,398 2.31,399 1.404,400 1.779,402 3.587,403 1.268,404 2.61,405 1.307,406 3.76,407 2.172,408 1.218,409 1.648,411 2.921,412 1.158,413 2.43,414 1.256,415 3.487,416 2.012,417 1.072,418 1.414,420 2.554,421 1,422 2.066,423 1.163,424 3.416,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 0.936,432 3.247,433 1.666,434 0.751,435 0.965,436 1.952,437 0.685,438 1.583,439 0.858,440 2.784,441 1.32,442 0.427,443 0.48,445 0.622,446 0.376,447 1.127,448 0.094,449 2.698,450 0.788,451 -0.152,452 -0.181,454 -0.414,455 -0.142,456 0.838,457 -0.321,458 2.646,459 0.451,460 -0.475,461 -0.568,463 -1.286,464 -0.438,465 12.667,466 0.469,467 0.606,468 0.022,469 33.25,470 1.231,471 14.5,472 0.537,473 18.75,474 0.694,475 23.195,476 0.859,477 29.933,478 0.576,479 25.378,480 0.94,481 6.778,482 0.251,483 6.374,484 0.236,485 0.105,487 0.339,493 0.98,494 1.581,495 0.84,496 1.225,497 0.96,498 1.041,499 1.367,500 0.949,501 0.952,502 0.763,503 0.98,504 0.782,505 0.802,506 1.282,507 0.988,508 1.189,509 0.646,510 1.134,511 0.84,512 0.927,513 0.821,514 0.792,515 0.892,516 0.787,517 0.876,518 1.29,519 0.955,520 1.078,521 0.829,522 1.022,523 1.04,524 0.866,525 1.179,526 0.91,527 0.917,528 1.016,529 0.774,530 1.304,531 1.079,532 1.323,533 0.658,534 1.259,535 0.914,536 0.951,537 1.091,538 1.046,539 0.704,540 1.074,541 5,542 0.103,543 2.667,544 1.507,545 1.453,546 1.254,547 0.549,548 0.484,549 0.307,550 0.195,551 7917,552 19158,553 2.12,554 48.1,556 22,557 1,559 2,564 1.71,565 2,566 3.134,567 0.267,568 1,569 1,573 80.278,574 1.544,575 3.688,576 4.748,577 4.902,578 4.902,579 4.902,580 2.441,581 4.459,582 4.723,583 3.286,584 1153.53,585 8.254,586 14485.8,588 1,590 1,591 296.423,592 1.352,593 4.694,594 0.167,595 0.009,596 0.063,597 0.035,598 0.034,599 0.028,600 0.013,601 0.013,602 0.01,603 0.009,604 0.38,605 0.33,606 1,607 0.983,608 130.822,609 -0.063,610 -0.321,611 0.066,612 -0.11,613 -0.096,614 -0.02,615 -0.18,616 0.197,617 0.03,618 0.224,619 -0.081,620 0.169,621 0.061,622 -0.174,623 -0.05,624 -0.151,625 0.053,626 -0.133,627 0.008,628 0.094,629 0.159,630 0.151,632 0.176,633 -0.037,634 -0.161,635 -0.01,636 -0.071,637 -0.018,638 -0.04,639 -0.06,640 0.27,641 -0.206,642 0.032,643 -0.059,644 -0.08,646 -0.246,647 -0.151,648 -0.274,649 -0.013,650 -0.241,651 -0.068,652 0.043,653 -0.124,654 -0.07,655 -0.005,656 -0.092,657 1.498,658 3.476,659 0.778,660 23.407,661 1,662 1.136,663 1.686,664 2.841,665 0.645,666 3.434,667 3.761,668 4.06,669 4.382,670 4.663,671 4.812,672 5.043,673 5.198,674 5.293,675 5.357,676 5.615,677 0.612,678 367.5,679 3.434,680 4.977,681 5.838,682 6.73,683 7.617,684 8.521,685 9.421,686 10.331,687 11.238,688 12.152,689 9.6,692 1,695 1,697 1,699 2,703 2,704 5,705 2,706 1,709 5,711 16,726 1,731 52,733 16,734 1,735 30,737 55,738 20,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 8,777 1,778 1,781 25,782 6,783 2,784 7,790 5,794 0.75,795 2,796 1,806 1,807 1,811 1,812 3,815 1,836 1,838 1,839 1,840 3,844 2,848 27,853 1,854 6,856 1,859 2,870 3.8,871 1,874 1,877 13.5,878 9.833,879 5.972,880 3.001,881 3.054,882 1.402,883 0.974,884 5.298,885 10.65,886 3.664,887 4.273,888 4.917,889 5.578,890 6.165,891 6.598,892 7.121,893 7.57,894 7.894,895 8.24,896 0.833,897 43,898 9.983,900 4.192,901 7.599,902 19.415,904 15.949,905 2.099,906 56.667,910 270.735,911 97.748,912 56.605,914 53.683,917 97.748,918 324.419,919 56.605,920 16.793,921 15.502,922 89.636,923 44.571,924 37.063,925 16.243,926 258.964,928 270.735,929 154.353,930 53.683,933 273.063,935 53.683,937 37.556,938 80.898,939 33.571,941 270.735,942 110.288,943 97.748,946 270.735,947 34.003,948 69.994,949 16.786,950 87.254,951 270.735,952 110.288,953 97.748,955 0.574,956 0.333,957 0.191,958 0.112,959 21,960 9,961 0.091,962 5,963 1,964 1.095,965 3.785,966 242.881,967 0.095,968 21,969 122.382,974 18.231,975 7.846,976 3.787,977 1.917,978 93.503,979 9.792,980 9.776,981 3.387,984 4.504,986 59.469,987 478.772,988 38,999 52,1000 59.062,1001 0.271,1002 0.647,1003 0.833,1004 0.86,1005 0.86,1006 0.86,1007 4.905,1008 1.404,1009 5.82,1010 4.177,1011 4.443,1012 4.959,1013 1.81,1014 6.65,1015 4.337,1016 6.103,1017 1.218,1018 7.383,1019 3.587,1020 4.007,1021 4.796,1022 0.57,1023 7.582,1024 3.877,1025 7.412,1026 1.072,1027 9.049,1028 2.921,1029 6.043,1030 7.202,1031 1.434,1032 10.719,1033 5.854,1034 8.761,1035 1,1036 10.777,1037 2.554,1038 6.447,1039 7.932,1040 0.581,1041 12.508,1042 6.234,1043 10.149,1044 0.751,1045 12.545,1046 2.136,1047 7.943,1048 9.804,1049 1.158,1050 15.16,1051 7.677,1052 11.564,1053 0.427,1054 14.343,1055 1.952,1056 8.742,1057 10.954,1058 0.515,1059 17.306,1060 8.446,1061 13.001,1062 -0.152,1063 16.161,1064 0.622,1065 10.02,1066 12.612,1067 0.936,1068 19.797,1069 9.677,1070 3.259,1071 -0.475,1072 17.996,1073 -0.414,1074 11.009,1075 13.961,1076 0.441,1077 22.096,1078 10.629,1079 2.813,1080 11.407,1081 19.843,1082 -1.286,1083 12.204,1084 15.532,1085 0.756,1086 24.535,1087 11.778,1088 2.695,1089 9.068,1090 21.7,1091 4.628,1092 13.283,1093 16.975,1094 0.373,1095 26.902,1096 12.816,1097 2.322,1098 8.877,1099 23.565,1100 3.817,1101 14.45,1102 18.515,1103 0.609,1104 29.327,1105 13.937,1106 2.184,1107 6.715,1108 25.437,1109 3.299,1110 15.573,1111 20.002,1112 0.314,1113 31.727,1114 15.016,1115 1.857,1116 6.142,1117 27.315,1118 3.03,1119 16.733,1120 21.531,1121 0.49,1122 34.151,1123 16.13,1124 1.519,1125 4.806,1126 29.198,1127 2.362,1128 17.879,1129 23.039,1130 0.264,1131 36.566,1132 17.23,1133 7643,1134 11995,1135 20.285,1136 33.552,1137 45.234,1138 45.629,1139 46.141,1140 45.009,1141 45.041,1142 57.306,1143 7.027,1144 129.925,1145 42.501,1146 5.676,1147 5.367,1148 6.645,1149 5.316,1150 5.259,1151 7.628,1152 1.776,1153 18.828,1154 5.112,1155 11.812,1156 1.508,1157 1.521,1158 1.538,1159 1.5,1160 1.501,1161 1.91,1162 0.234,1163 4.331,1164 1.417,1165 4.138,1166 4.182,1167 4.111,1168 4.007,1169 6.457,1170 4.028,1171 3.895,1172 3.924,1173 3.834,1174 3.828,1175 5.096,1176 3.827,1177 3.742,1178 3.801,1179 3.628,1180 3.525,1181 4.693,1182 3.541,1183 3.571,1184 3.662,1185 3.429,1186 3.329,1187 4.615,1188 3.342,1189 3.324,1190 3.383,1191 3.233,1192 3.127,1193 4.408,1194 3.142,1195 3.17,1196 3.227,1197 3.032,1198 2.964,1199 4.254,1200 2.969,1201 3.111,1202 3.206,1203 2.87,1204 2.941,1205 4.002,1206 2.91,1207 2.972,1208 3.043,1209 2.866,1210 2.789,1211 3.642,1212 2.793,1213 0.156,1214 0.112,1215 0.228,1216 0.14,1217 0.109,1218 4.676,1219 0.154,1220 3.367,1221 0.031,1222 6.843,1223 0.38,1224 4.213,1225 0.104,1226 3.259,1227 4.628,1228 0.916,1229 11.407,1230 3.112,1231 1.96,1232 1.932,1233 2.046,1234 2.087,1235 1.224,1236 2.07,1237 1.804,1238 1.765,1239 1.94,1240 1.962,1241 1.156,1242 1.963,1243 1.678,1244 1.619,1245 1.882,1246 1.89,1247 1.083,1248 1.894,1249 1.557,1250 1.496,1251 1.716,1252 1.799,1253 0.834,1254 1.781,1255 1.362,1256 1.275,1257 1.607,1258 1.614,1259 0.825,1260 1.616,1261 1.196,1262 1.149,1263 1.513,1264 1.45,1265 0.678,1266 1.452,1267 1.153,1268 1.064,1269 1.46,1270 1.376,1271 0.586,1272 1.429,1273 0.983,1274 0.928,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.111,1281 5.434,1282 2.398,1283 6.957,1284 4.727,1285 8.576,1286 6.843,1287 10.248,1289 4.1,1294 9.476,1295 3.824,1297 5.507,1300 4.383,1305 31.805,1306 80.278,1307 191.755,1308 246.913,1309 254.913,1310 254.913,1311 254.913,1312 37.498,1313 7.597,1314 77.51,1315 77.51,1316 23,1317 12.666,1318 4.087,1319 3.17,1320 39.756,1321 92,1322 93,1323 0.22,1324 194.516,1325 326.52,1326 466.379,1327 18515,1329 18.803,1330 0.696,1331 0.584,1332 18.803,1333 15.774,1334 13.152,1335 0.438,1336 0.307,1337 9.033,1338 12.53,1339 8.768,1340 7.266,1341 13.152,1342 9.211,1343 11.789,1344 0.281,1345 0.169,1346 11.789,1347 7.104,1348 9.823,1349 0.172,1350 0.083,1351 9.823,1352 4.75,1353 8.572,1354 0.109,1355 0.044,1356 8.572,1357 3.445,1358 7.253,1359 0.069,1360 0.022,1361 7.253,1362 2.35,1363 0.332,1364 83.247,1365 0.222,1366 25.285,1367 0.648,1368 144,1369 396.799,1370 158.087,1371 380.313,1372 526.47,1373 360,1374 171,1375 384.983,1376 187.337,1377 394.358,1378 583.04,1379 368,1380 7.699}
{0 CHEMBL1088790,1 1.52,2 9.379,3 2.712,4 7.357,5 112.448,6 7.027,7 0.485,8 4.14,9 4.267,10 3.671,11 3.632,12 5.127,13 3.617,14 4.729,15 4.92,16 4.024,17 4.055,18 5.661,19 4.015,20 4.957,21 5.189,22 4.046,23 4.181,24 5.833,25 4.089,26 4.982,27 5.244,28 4.033,29 4.15,30 5.858,31 4.063,32 4.896,33 5.121,34 4.097,35 4.169,36 5.815,37 4.104,38 4.972,39 5.191,40 4.114,41 4.229,42 5.941,43 4.155,44 4.984,45 5.209,46 4.004,47 4.214,48 5.851,49 4.109,50 5.001,51 5.258,52 3.913,53 4.155,54 5.794,55 4.034,56 0.037,57 0.868,58 12.784,59 4.939,60 7.074,61 6.955,62 0.306,63 1.428,64 25.073,65 8.144,66 23.401,67 11.852,68 0.371,69 1.685,70 32.184,71 10.836,72 31.338,73 16.178,74 0.399,75 1.695,76 33.827,77 10.301,78 38.714,79 16.025,80 0.277,81 1.643,82 29.918,83 9.691,84 30.119,85 14.821,86 0.532,87 1.777,88 32.516,89 9.86,90 46.836,91 15.109,92 0.296,93 1.712,94 32.737,95 11.189,96 32.288,97 16.654,98 0.35,99 1.649,100 34.305,101 11.253,102 29.931,103 17.044,104 3,105 46,106 0.25,107 0.596,108 0.778,109 0.825,110 0.825,111 0.825,112 3.409,113 0.95,114 -3.36,115 -3.34,116 -3.2,119 39.3,121 2,125 8,142 4,143 3,146 1,147 1,149 1,151 1,152 1,172 7,174 2,175 6,180 2,183 6,186 1,187 4,190 3,192 2,195 3,198 2,199 7,202 1,204 2,207 3,211 1,212 4,217 2,220 2,223 2,224 5,227 3,229 4,232 2,236 1,237 5,242 2,245 1,250 8,253 1,255 2,258 2,262 1,263 3,267 1,271 4,275 1292,276 20.386,277 20.386,278 20.386,279 20.386,280 20.386,281 18.628,282 25.398,283 12.17,284 20.931,285 16.301,286 16.301,287 16.301,288 16.301,289 16.301,290 13.484,291 33.484,292 5.763,293 17.199,294 4.287,295 2.179,296 1.071,297 0.786,298 0.786,299 0.786,300 4.123,304 1,305 1,306 605,307 2.55,310 134.298,311 232.765,314 109.353,318 1.315,319 22.653,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 272,332 4.676,333 3.371,334 6.844,335 4.214,336 3.26,337 4.628,338 0.916,339 11.409,340 3.113,341 4.189,342 3.038,343 6.138,344 3.799,345 2.817,346 3.817,347 0.86,348 9.073,349 2.769,350 3.923,351 2.914,352 6.114,353 3.658,354 2.72,355 3.302,356 0.8,357 8.911,358 2.547,359 3.649,360 2.733,361 5.417,362 3.394,363 2.464,364 3.03,365 0.765,366 7.101,367 2.289,368 3.509,369 2.518,370 5.281,371 3.278,372 2.306,373 2.539,374 0.172,375 6.7,376 2.237,377 3.136,378 2.313,379 5.033,380 2.886,381 1.942,382 2.216,384 5.629,385 1.829,386 2.971,387 1.905,388 4.394,389 2.475,390 1.523,391 2.178,393 4.19,394 1.448,395 2.739,396 1.609,397 4.333,398 2.407,399 1.484,400 1.826,402 3.863,403 1.364,404 2.633,405 1.384,406 3.761,407 2.173,408 1.229,409 1.682,411 2.925,412 1.159,413 2.438,414 1.256,415 3.488,416 2.104,417 1.151,418 1.421,420 2.58,421 1.089,422 2.206,423 1.217,424 3.446,425 2.002,426 1.051,427 1.194,428 2.499,429 0.994,430 2.028,431 1.119,432 3.386,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 0.936,440 3.247,441 1.654,442 0.737,443 0.932,445 1.923,446 0.673,447 1.618,448 0.845,449 3,450 1.591,451 0.618,452 0.618,454 1.372,455 0.6,456 1.583,457 0.744,458 2.799,459 1.32,460 0.427,461 0.48,463 0.622,464 0.376,465 13.667,466 0.471,467 0.53,468 0.018,469 34.75,470 1.198,471 14.5,472 0.5,473 20.25,474 0.698,475 26.526,476 0.915,477 31.933,478 0.57,479 25.446,480 0.877,481 6.7,482 0.231,483 7.614,484 0.263,485 0.024,487 0.315,493 0.962,494 1.513,495 0.835,496 1.185,497 0.902,498 1.02,499 1.29,500 1.099,501 1.003,502 0.925,503 0.942,504 0.92,505 0.811,506 1.143,507 0.959,508 1.066,509 0.571,510 1.04,511 0.858,512 0.958,513 0.861,514 0.838,515 0.918,516 0.834,517 0.845,518 1.177,519 0.877,520 0.969,521 0.818,522 0.921,523 1.014,524 1.01,525 1.155,526 0.99,527 0.915,528 1.055,529 0.901,530 1.204,531 1.127,532 1.214,533 0.768,534 1.196,535 0.864,536 1.033,537 1.019,538 1.054,539 0.684,540 1.048,541 4.5,542 0.077,543 2.667,544 1.479,545 1.328,546 1.143,547 0.523,548 0.434,549 0.254,550 0.133,551 10457,552 23176,553 2.215,554 48.2,556 20,557 1,559 2,561 4,564 1.729,565 2.148,566 3.225,567 0.228,568 1,569 1,573 85.113,574 1.52,575 3.628,576 4.736,577 5.022,578 5.022,579 5.022,580 2.54,581 4.582,582 4.826,583 3.389,584 1375.77,585 8.458,586 18218.6,588 1,590 1,591 325.212,592 1.091,593 4.82,594 0.136,595 0.004,596 0.058,597 0.033,598 0.03,599 0.023,600 0.011,601 0.01,602 0.007,603 0.004,604 0.316,605 0.33,606 0.88,607 0.503,608 144.375,609 -0.052,610 -0.264,611 0.074,612 -0.074,613 -0.045,614 0.002,615 -0.147,616 0.051,617 -0.03,618 0.079,619 -0.065,620 0.043,621 0.059,622 -0.089,624 -0.066,625 0.106,626 -0.052,627 0.005,628 0.077,629 0.119,630 0.111,631 -0.004,632 0.13,633 -0.008,634 -0.079,635 0.078,636 0.028,637 -0.002,638 0.062,639 -0.025,640 0.146,641 -0.184,642 -0.032,643 -0.035,644 -0.111,645 -0.059,646 -0.136,647 -0.179,648 -0.203,649 -0.077,650 -0.203,651 -0.024,652 -0.033,653 -0.053,654 -0.071,655 0.008,656 -0.061,657 1.489,658 3.536,659 0.897,660 27.229,661 0.998,662 1.134,663 2.127,664 4.526,665 0.648,666 3.526,667 3.85,668 4.174,669 4.489,670 4.736,671 4.905,672 5.153,673 5.342,674 5.476,675 5.591,676 5.974,677 0.613,678 393.54,679 3.526,680 5.069,681 5.938,682 6.825,683 7.715,684 8.614,685 9.514,686 10.42,687 11.326,688 12.237,689 8.9,692 1,695 1,697 1,699 2,703 2,704 5,705 2,706 1,709 5,711 16,726 1,731 56,733 16,734 1,735 33,737 60,738 22,739 12,740 2,741 4,746 5,747 6,752 1,755 2,758 2,761 12,762 10,778 1,781 27,782 6,783 2,784 7,790 5,794 0.8,795 2,796 1,806 1,807 1,808 1,811 2,812 3,815 1,836 1,838 1,839 1,840 4,848 29,853 1,854 10,856 1,859 2,870 3.6,871 1,874 1,877 13.5,878 9.833,879 6.389,880 3.551,881 3.02,882 1.38,883 1.001,884 5.401,885 10.963,886 3.738,887 4.327,888 4.967,889 5.612,890 6.186,891 6.627,892 7.158,893 7.622,894 7.964,895 8.33,896 0.714,897 45,898 10.77,900 4.626,901 7.523,902 21.267,904 18.104,905 2.023,906 58.667,909 1,910 294.278,911 90.236,912 56.605,914 53.683,917 90.236,918 347.961,919 56.605,921 24.782,922 89.636,923 44.571,924 37.063,925 16.243,926 282.506,928 294.278,929 146.841,930 53.683,933 249.521,934 47.084,935 53.683,937 46.836,938 64.106,939 33.571,941 294.278,942 110.288,943 90.236,946 294.278,947 43.283,948 53.201,949 16.786,950 87.254,951 294.278,952 110.288,953 90.236,955 0.573,956 0.343,957 0.194,958 0.104,959 24,960 9,961 0.083,962 5,963 1,964 1.077,965 4.069,966 273.52,967 0.077,968 26,969 132.881,974 18.859,975 8.306,976 3.846,977 2.001,978 93.503,979 9.938,980 9.918,981 3.455,984 4.664,986 59.469,987 494.802,988 41,999 55.883,1000 63.478,1001 0.262,1002 0.625,1003 0.816,1004 0.865,1005 0.865,1006 0.865,1007 4.984,1008 1.484,1009 5.905,1010 4.19,1011 4.533,1012 5.014,1013 1.81,1014 6.727,1015 4.432,1016 6.161,1017 1.229,1018 7.46,1019 3.863,1020 4.007,1021 4.796,1022 0.57,1023 7.627,1024 3.877,1025 7.463,1026 1.151,1027 9.117,1028 2.925,1029 6.125,1030 7.228,1031 1.434,1032 10.772,1033 5.936,1034 8.806,1035 1.051,1036 10.838,1037 2.58,1038 6.494,1039 7.943,1040 0.581,1041 12.547,1042 6.275,1043 10.189,1044 1,1045 12.601,1046 2.499,1047 8.013,1048 9.816,1049 1.158,1050 15.193,1051 7.743,1052 11.6,1053 0.737,1054 14.394,1055 2.136,1056 8.794,1057 10.96,1058 0.515,1059 17.329,1060 8.489,1061 13.033,1062 0.618,1063 16.207,1064 1.923,1065 10.078,1066 12.616,1067 0.936,1068 19.816,1069 9.726,1070 3.26,1071 0.427,1072 18.037,1073 1.372,1074 11.055,1075 13.963,1076 0.441,1077 22.109,1078 10.665,1079 2.817,1080 11.409,1081 19.879,1082 0.622,1083 12.249,1084 15.534,1085 0.756,1086 24.546,1087 11.814,1088 2.72,1089 9.073,1090 21.732,1091 4.628,1092 13.321,1093 16.977,1094 0.373,1095 26.911,1096 12.844,1097 2.464,1098 8.911,1099 23.593,1100 3.817,1101 14.485,1102 18.516,1103 0.609,1104 29.335,1105 13.964,1106 2.306,1107 7.101,1108 25.461,1109 3.302,1110 15.603,1111 20.003,1112 0.314,1113 31.733,1114 15.038,1115 1.942,1116 6.7,1117 27.336,1118 3.03,1119 16.761,1120 21.532,1121 0.49,1122 34.156,1123 16.15,1124 1.523,1125 5.629,1126 29.216,1127 2.539,1128 17.903,1129 23.04,1130 0.264,1131 36.571,1132 17.247,1133 9693,1134 14563,1135 23.057,1136 36.313,1137 49.325,1138 50.036,1139 49.727,1140 49.451,1141 49.461,1142 61.725,1143 7.027,1144 141.865,1145 46.865,1146 5.676,1147 5.371,1148 6.646,1149 5.318,1150 5.26,1151 7.628,1152 1.776,1153 18.834,1154 5.113,1155 7.256,1156 1.495,1157 1.516,1158 1.507,1159 1.499,1160 1.499,1161 1.87,1162 0.213,1163 4.299,1164 1.42,1165 4.142,1166 4.187,1167 4.114,1168 4.011,1169 6.457,1170 4.031,1171 3.898,1172 3.931,1173 3.836,1174 3.83,1175 5.096,1176 3.828,1177 3.819,1178 3.886,1179 3.695,1180 3.652,1181 4.693,1182 3.652,1183 3.73,1184 3.787,1185 3.609,1186 3.515,1187 4.615,1188 3.53,1189 3.352,1190 3.406,1191 3.276,1192 3.174,1193 4.409,1194 3.19,1195 3.195,1196 3.25,1197 3.055,1198 2.999,1199 4.285,1200 3.001,1201 3.111,1202 3.206,1203 2.928,1204 2.941,1205 4.009,1206 2.91,1207 3.061,1208 3.15,1209 2.866,1210 2.856,1211 3.643,1212 2.86,1213 0.142,1214 0.102,1215 0.207,1216 0.128,1217 0.099,1218 4.676,1219 0.14,1220 3.371,1221 0.028,1222 6.844,1223 0.346,1224 4.214,1225 0.094,1226 3.26,1227 4.628,1228 0.916,1229 11.409,1230 3.113,1231 1.96,1232 1.932,1233 2.045,1234 2.087,1235 1.226,1236 2.069,1237 1.803,1238 1.765,1239 1.939,1240 1.962,1241 1.211,1242 1.963,1243 1.67,1244 1.615,1245 1.86,1246 1.863,1247 1.158,1248 1.862,1249 1.577,1250 1.507,1251 1.844,1252 1.795,1253 1.126,1254 1.793,1255 1.553,1256 1.492,1257 1.707,1258 1.751,1259 0.874,1260 1.777,1261 1.338,1262 1.26,1263 1.564,1264 1.582,1265 0.825,1266 1.579,1267 1.195,1268 1.148,1269 1.513,1270 1.448,1271 0.729,1272 1.449,1273 1.153,1274 1.064,1275 1.459,1276 1.376,1277 0.586,1278 1.429,1279 4.205,1281 5.525,1282 3.045,1283 7.045,1284 5.283,1285 8.656,1286 7.286,1287 10.321,1294 9.536,1295 8.84,1297 5.543,1300 4.772,1305 34.331,1306 85.113,1307 203.164,1308 265.212,1309 281.212,1310 281.212,1311 281.212,1312 38.269,1313 7.943,1314 77.51,1315 77.51,1316 28,1317 12.753,1318 4.087,1319 3.17,1320 39.194,1321 104,1322 105,1323 0.187,1324 206.307,1325 348.76,1326 495.15,1327 28965,1329 19.631,1330 0.677,1331 0.572,1332 19.631,1333 16.602,1334 14.314,1335 0.434,1336 0.317,1337 10.279,1338 13.706,1339 10.11,1340 8.276,1341 14.314,1342 10.449,1343 12.546,1344 0.273,1345 0.171,1346 12.546,1347 7.85,1348 11.16,1349 0.174,1350 0.091,1351 11.16,1352 5.856,1353 9.641,1354 0.11,1355 0.049,1356 9.641,1357 4.286,1358 7.755,1359 0.069,1360 0.024,1361 7.755,1362 2.72,1363 0.284,1364 90.049,1365 0.208,1366 27.001,1367 0.544,1368 158,1369 410.799,1370 172.753,1371 393.016,1372 550.27,1373 374,1374 189,1375 407.687,1376 206.003,1377 413.129,1378 616.38,1379 390,1380 7.678}
{0 CHEMBL1088791,1 1.562,2 8.583,3 2.384,4 5.682,5 91.262,6 7.373,7 0.593,8 3.907,9 4.024,10 3.477,11 3.402,12 4.971,13 3.398,14 4.46,15 4.641,16 3.827,17 3.795,18 5.476,19 3.778,20 4.643,21 4.848,22 3.882,23 3.934,24 5.626,25 3.875,26 4.691,27 4.92,28 3.847,29 3.914,30 5.664,31 3.846,32 4.667,33 4.901,34 3.83,35 3.9,36 5.633,37 3.845,38 4.652,39 4.849,40 3.786,41 3.955,42 5.658,43 3.868,44 4.729,45 4.977,46 3.608,47 3.89,48 5.594,49 3.755,50 4.613,51 4.888,52 3.296,53 3.664,54 5.427,55 3.501,56 0.031,57 0.675,58 9.319,59 3.81,60 7.762,61 5.089,62 0.287,63 1.091,64 18.44,65 6.022,66 22.346,67 8.276,68 0.325,69 1.283,70 22.399,71 7.83,72 25.16,73 11.095,74 0.237,75 1.328,76 23.984,77 7.759,78 30.581,79 11.569,80 0.364,81 1.296,82 23.779,83 6.887,84 31.736,85 10.421,86 0.351,87 1.28,88 22.179,89 7.899,90 34.054,91 11.219,92 0.241,93 1.233,94 25.641,95 9.425,96 28.799,97 13.552,98 0.317,99 0.998,100 24.293,101 8.519,102 31.237,103 12.218,104 6,105 38,106 0.27,107 0.625,108 0.794,109 0.839,110 0.839,111 0.839,112 3.23,113 0.902,114 -3.21,115 -3.21,116 -3.08,119 40.9,124 1,125 5,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 6,174 2,175 4,180 1,183 6,186 4,187 4,192 2,195 3,198 1,199 7,204 2,207 1,211 1,212 5,217 1,220 2,223 1,224 4,227 2,232 2,236 1,237 5,245 1,250 3,253 1,255 1,263 2,266 1,275 734,276 16.662,277 16.662,278 16.662,279 16.662,280 16.662,281 14.852,282 18.333,283 9.839,284 17.156,285 13.297,286 13.297,287 13.297,288 13.297,289 13.297,290 10.453,291 25.255,292 4.614,293 14.098,294 3.898,295 1.846,296 0.872,297 0.608,298 0.608,299 0.608,300 3.93,303 1,304 1,305 1,306 452,307 2.236,310 49.454,311 185.522,314 87.212,318 1.201,319 18.588,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 206,332 4.68,333 3.363,334 6.902,335 4.209,336 3.264,337 4.634,338 0.86,339 11.58,340 3.085,341 4.194,342 2.917,343 6.152,344 3.8,345 2.82,346 3.824,347 0.8,348 9.119,349 2.764,350 3.775,351 2.811,352 5.877,353 3.491,354 2.57,355 3.155,356 0.765,357 8.11,358 2.365,359 3.672,360 2.539,361 5.297,362 3.297,363 2.328,364 3.015,366 6.75,367 2.253,368 3.215,369 2.248,370 4.941,371 2.754,372 1.819,373 2.477,375 5.373,376 1.696,377 3.003,378 1.909,379 4.574,380 2.694,381 1.777,382 2.101,384 4.595,385 1.625,386 2.798,387 1.584,388 4.254,389 2.351,390 1.391,391 1.911,393 3.65,394 1.332,395 2.554,396 1.429,397 3.701,398 2.096,399 1.193,400 1.58,402 2.836,403 1.068,404 2.395,405 1.256,406 3.486,407 2.033,408 1.06,409 1.377,411 2.534,412 1.028,413 2.06,414 1.07,415 3.398,416 1.952,417 1,418 1,420 2.136,421 0.946,422 2,423 0.934,424 3.247,425 1.635,426 0.697,427 0.936,428 1.782,429 0.652,430 1.583,431 0.767,432 2.777,433 1.32,434 0.428,435 0.48,436 0.622,437 0.376,438 1.025,439 -0.167,440 2.695,441 0.624,442 -0.312,443 -0.385,445 -0.844,446 -0.291,447 0.856,448 -0.36,449 2.584,450 0.428,451 -0.506,452 -0.627,454 -1.303,455 -0.471,456 0.667,457 -0.391,458 2.254,459 0.278,460 -0.678,461 -0.871,463 -1.52,464 -0.648,465 11.267,466 0.469,467 0.5,468 0.021,469 31.25,470 1.302,471 14.5,472 0.604,473 16.75,474 0.698,475 18.398,476 0.767,477 25.933,478 0.589,479 22.23,480 0.926,481 6.283,482 0.262,483 5.476,484 0.228,485 0.074,487 0.337,493 0.941,494 1.519,495 0.785,496 1.176,497 0.94,498 0.992,499 1.331,500 1.001,501 0.94,502 0.8,503 0.976,504 0.802,505 0.851,506 1.081,507 0.939,508 0.999,509 0.646,510 0.987,511 0.848,512 1.263,513 0.93,514 1.053,515 0.921,516 1.002,517 1.067,518 0.906,519 1.009,520 0.773,521 0.911,522 0.831,523 0.837,524 1.089,525 1.219,526 1.181,527 0.797,528 1.236,529 0.682,530 1.061,531 1.028,532 1.214,533 0.601,534 1.181,535 0.871,536 0.87,537 0.98,538 1.032,539 0.737,540 1.038,541 4,542 0.021,543 2.444,544 1.535,545 1.328,546 0.979,547 0.448,548 0.286,549 0.195,550 0.102,551 5936,552 14961,553 2.161,554 45.5,556 18,557 1,559 1,564 1.676,565 2.057,566 3.089,567 -0.301,568 1,569 1,571 1,573 68.718,574 1.562,575 3.613,576 4.588,577 4.851,578 4.851,579 4.851,580 2.471,581 4.137,582 4.556,583 3.195,584 881.824,585 7.902,586 10011.8,588 1,590 1,591 240.215,592 1.281,593 4.532,594 0.148,595 0.004,596 0.064,597 0.039,598 0.036,599 0.026,600 0.013,601 0.011,602 0.01,603 0.008,604 0.361,605 0.5,606 1,607 0.681,608 111.347,609 -0.058,610 -0.325,611 0.07,612 -0.113,613 -0.103,614 -0.023,615 -0.168,616 0.125,617 0.01,618 0.168,619 -0.091,620 0.122,621 0.042,622 -0.003,623 -0.005,624 -0.013,625 0.042,626 -0.025,627 -0.04,628 -0.206,629 0.016,630 -0.093,631 -0.031,632 -0.041,633 -0.148,634 0.198,635 -0.044,636 0.146,637 -0.08,638 0.094,639 -0.006,640 0.017,641 -0.31,642 -0.189,643 -0.026,644 -0.277,645 0.053,646 -0.119,647 -0.078,648 -0.202,649 0.034,650 -0.163,651 0.036,652 -0.027,653 0.023,654 -0.029,655 0.051,656 -0.011,657 1.488,658 3.376,659 0.875,660 17.514,661 1.003,662 1.13,663 1.985,664 3.94,665 0.66,666 3.332,667 3.664,668 3.989,669 4.304,670 4.564,671 4.673,672 4.883,673 5.004,674 5.075,675 5.088,676 5.179,677 0.63,678 324.42,679 3.332,680 4.875,681 5.746,682 6.64,683 7.532,684 8.436,685 9.337,686 10.246,687 11.153,688 12.064,689 9.1,695 1,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,726 1,731 44,733 16,734 1,735 27,737 47,738 18,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 6,777 1,778 1,781 20,782 5,783 1,784 6,790 4,794 0.75,795 2,796 1,806 1,807 1,811 1,812 3,815 1,838 1,839 1,840 3,844 1,848 24,853 1,854 5,856 1,859 1,870 4.5,871 1,874 1,877 11.667,878 8.167,879 5.306,880 2.596,881 3.081,882 1.418,883 0.984,884 4.126,885 10.449,886 3.584,887 4.216,888 4.88,889 5.538,890 6.101,891 6.503,892 7.024,893 7.457,894 7.767,895 8.083,896 0.833,897 39,898 8.865,900 3.765,901 7.625,902 17.191,904 14.25,905 2.125,906 51,909 1,910 223.651,911 93.536,912 38.594,914 53.683,917 93.536,918 277.334,919 38.594,920 8.396,921 13.396,922 99.112,923 44.571,924 15.867,925 16.243,926 211.88,928 223.651,929 132.131,930 53.683,933 225.979,935 53.683,937 17.439,938 78.793,939 33.571,941 223.651,942 92.278,943 93.536,946 223.651,947 28.711,948 69.848,950 87.254,951 223.651,952 92.278,953 93.536,955 0.577,956 0.349,957 0.199,958 0.112,959 20,960 8,961 0.064,962 3,963 1,964 1.095,965 3.571,966 207.898,967 0.095,968 21,969 106.039,974 15.425,975 6.42,976 2.888,977 1.97,978 90.379,979 11.762,980 9.586,984 3.407,985 2.064,986 42.683,987 409.465,988 35,999 44.131,1000 49.734,1001 0.286,1002 0.662,1003 0.84,1004 0.889,1005 0.889,1006 0.889,1007 4.82,1008 1.193,1009 5.727,1010 3.65,1011 4.344,1012 4.902,1013 1.528,1014 6.567,1015 4.235,1016 6.026,1017 1.06,1018 7.296,1019 2.836,1020 3.892,1021 4.745,1022 0.325,1023 7.519,1024 3.744,1025 7.342,1026 1,1027 8.969,1028 2.534,1029 5.953,1030 7.171,1031 1.175,1032 10.666,1033 5.75,1034 8.7,1035 0.697,1036 10.705,1037 2.136,1038 6.365,1039 7.909,1040 0.268,1041 12.49,1042 6.118,1043 10.096,1044 0.428,1045 12.483,1046 1.782,1047 7.869,1048 9.788,1049 0.908,1050 15.151,1051 7.572,1052 11.518,1053 -0.312,1054 14.29,1055 0.622,1056 8.682,1057 10.944,1058 0.188,1059 17.333,1060 8.336,1061 12.961,1062 -0.506,1063 16.118,1064 -0.844,1065 9.965,1066 12.605,1067 0.694,1068 19.837,1069 9.57,1070 3.264,1071 -0.678,1072 17.963,1073 -1.303,1074 10.967,1075 13.96,1076 0.125,1077 22.17,1078 10.518,1079 2.82,1080 11.58,1081 19.821,1082 -1.52,1083 12.166,1084 15.534,1085 0.523,1086 24.627,1087 11.666,1088 2.57,1089 9.119,1090 21.689,1091 4.634,1092 13.256,1093 16.981,1094 0.082,1095 27.023,1096 12.7,1097 2.328,1098 8.11,1099 23.566,1100 3.824,1101 14.428,1102 18.523,1103 0.389,1104 29.467,1105 13.818,1106 1.819,1107 6.75,1108 25.451,1109 3.155,1110 15.559,1111 20.014,1112 0.054,1113 31.891,1114 14.891,1115 1.777,1116 5.373,1117 27.341,1118 3.015,1119 16.725,1120 21.545,1121 0.287,1122 34.334,1123 16.001,1124 1.391,1125 4.595,1126 29.237,1127 2.477,1128 17.877,1129 23.055,1130 0.035,1131 36.77,1132 17.094,1133 5651,1134 9062,1135 18.493,1136 29.023,1137 40.748,1138 41.333,1139 41.733,1140 40.684,1141 40.692,1142 52.98,1143 4.849,1144 118.173,1145 38.378,1146 5.68,1147 5.363,1148 6.704,1149 5.312,1150 5.264,1151 7.634,1152 1.72,1153 18.837,1154 5.085,1155 8.742,1156 1.509,1157 1.531,1158 1.546,1159 1.507,1160 1.507,1161 1.962,1162 0.18,1163 4.377,1164 1.421,1165 4.135,1166 4.18,1167 4.108,1168 4,1169 6.457,1170 4.021,1171 3.895,1172 3.924,1173 3.834,1174 3.825,1175 5.083,1176 3.825,1177 3.735,1178 3.793,1179 3.617,1180 3.514,1181 4.685,1182 3.53,1183 3.376,1184 3.44,1185 3.297,1186 3.173,1187 4.615,1188 3.194,1189 3.192,1190 3.25,1191 3.042,1192 2.977,1193 4.38,1194 2.981,1195 3.111,1196 3.206,1197 2.909,1198 2.941,1199 4.03,1200 2.91,1201 3.048,1202 3.127,1203 2.866,1204 2.849,1205 3.711,1206 2.842,1207 2.906,1208 2.969,1209 2.754,1210 2.741,1211 3.64,1212 2.738,1213 0.173,1214 0.125,1215 0.256,1216 0.156,1217 0.121,1218 4.68,1219 0.172,1220 3.363,1221 0.032,1222 6.902,1223 0.429,1224 4.209,1225 0.114,1226 3.264,1227 4.634,1228 0.86,1229 11.58,1230 3.085,1231 1.959,1232 1.931,1233 2.045,1234 2.089,1235 1.225,1236 2.071,1237 1.805,1238 1.763,1239 1.942,1240 1.965,1241 1.154,1242 1.967,1243 1.603,1244 1.553,1245 1.789,1246 1.837,1247 0.94,1248 1.827,1249 1.548,1250 1.482,1251 1.718,1252 1.743,1253 0.825,1254 1.739,1255 1.201,1256 1.154,1257 1.513,1258 1.451,1259 0.781,1260 1.453,1261 1.153,1262 1.064,1263 1.462,1264 1.376,1265 0.587,1266 1.429,1267 1.034,1268 0.966,1269 1.325,1270 1.264,1271 0.387,1272 1.289,1273 0.882,1274 0.813,1275 1.132,1276 1.1,1277 0.247,1278 1.106,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.727,1285 8.498,1286 6.823,1287 10.18,1289 2.016,1294 9.376,1295 3.092,1297 5.47,1300 2.257,1305 27.73,1306 68.718,1307 158.99,1308 201.85,1309 213.46,1310 213.46,1311 213.46,1312 29.718,1313 7.368,1314 63.41,1315 63.41,1316 23,1317 12.579,1318 4.087,1319 3.17,1320 33.569,1321 75,1322 79,1323 0.227,1324 168.537,1325 280.92,1326 402.99,1327 14247,1329 16.518,1330 0.688,1331 0.568,1332 16.518,1333 13.644,1334 11.758,1335 0.435,1336 0.301,1337 7.97,1338 11.211,1339 7.789,1340 6.406,1341 11.758,1342 8.12,1343 10.386,1344 0.273,1345 0.158,1346 10.386,1347 5.989,1348 9.192,1349 0.173,1350 0.083,1351 9.192,1352 4.38,1353 7.95,1354 0.109,1355 0.043,1356 7.95,1357 3.105,1358 6.637,1359 0.07,1360 0.022,1361 6.637,1362 2.113,1363 0.342,1364 74.308,1365 0.233,1366 22.833,1367 0.669,1368 130,1369 366.466,1370 143.032,1371 349.795,1372 487.88,1373 332,1374 156,1375 361.419,1376 170.838,1377 366.795,1378 544.82,1379 345,1380 5.7}
{0 CHEMBL1088831,1 1.472,2 12.714,3 4.79,4 22.941,5 136.571,6 7.116,7 0.55,8 4.298,9 4.421,10 3.843,11 3.835,12 5.308,13 3.813,14 4.871,15 5.051,16 4.204,17 4.261,18 5.821,19 4.213,20 5.151,21 5.373,22 4.26,23 4.424,24 6.028,25 4.33,26 5.218,27 5.474,28 4.233,29 4.421,30 6.047,31 4.315,32 5.2,33 5.446,34 4.274,35 4.435,36 6.084,37 4.34,38 5.207,39 5.439,40 4.268,41 4.474,42 6.063,43 4.373,44 5.215,45 5.445,46 4.217,47 4.464,48 6.059,49 4.347,50 5.233,51 5.481,52 4.135,53 4.437,54 6.052,55 4.3,56 0.051,57 0.995,58 14.539,59 6.02,60 9.907,61 8.174,62 0.28,63 1.676,64 27.896,65 10.086,66 25.588,67 14.072,68 0.427,69 2.093,70 38.471,71 13.971,72 39.449,73 19.957,74 0.356,75 2.216,76 42.03,77 14.255,78 39.654,79 21.339,80 0.515,81 2.194,82 41.175,83 13.666,84 53.081,85 20.47,86 0.445,87 2.235,88 40.719,89 14.178,90 38.311,91 20.719,92 0.39,93 2.167,94 41.048,95 15.23,96 39.735,97 21.888,98 0.406,99 2.131,100 42.582,101 16.048,102 42.612,103 22.906,104 2,105 56,106 0.231,107 0.573,108 0.74,109 0.817,110 0.832,111 0.832,112 3.589,113 0.939,114 -4.64,115 -4.56,116 -4.28,119 42.4,121 2,122 1,125 7,142 9,143 3,144 1,146 1,147 1,149 1,151 1,152 1,172 13,174 2,175 6,180 3,183 13,186 1,187 8,190 3,192 3,195 5,198 1,199 10,204 3,207 3,211 1,212 7,215 2,217 1,220 8,223 1,224 5,227 2,229 2,232 12,236 1,237 3,240 1,242 2,245 12,249 2,250 5,254 1,255 3,258 6,263 7,268 4,271 3,275 2432,276 24.447,277 24.447,278 24.447,279 24.447,280 24.447,281 21.909,282 27.689,283 14.625,284 25.012,285 19.834,286 19.834,287 19.834,288 19.834,289 19.834,290 16.006,291 36.029,292 7.038,293 20.761,294 4.573,295 2.401,296 1.341,297 0.848,298 0.758,299 0.758,300 4.312,305 1,306 1001,307 2.55,310 77.411,311 523.009,314 140.906,318 2.041,319 25.723,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 74.5,331 445,332 4.694,333 3.405,334 6.903,335 4.25,336 3.289,337 4.638,338 0.916,339 11.617,340 3.167,341 4.19,342 3.11,343 6.33,344 3.841,345 2.87,346 3.81,347 0.86,348 9.599,349 2.788,350 3.994,351 2.962,352 6.124,353 3.729,354 2.768,355 3.457,356 0.8,357 9.006,358 2.656,359 3.928,360 2.875,361 5.637,362 3.61,363 2.649,364 3.353,365 0.172,366 7.742,367 2.557,368 3.603,369 2.564,370 5.516,371 3.326,372 2.365,373 2.996,375 7.121,376 2.258,377 3.519,378 2.419,379 5.05,380 3.17,381 2.223,382 2.605,384 6.096,385 2.097,386 3.255,387 2.343,388 5.044,389 3.034,390 2.088,391 2.345,393 6.032,394 1.968,395 2.953,396 2.133,397 4.744,398 2.66,399 1.734,400 2.139,402 4.819,403 1.603,404 2.924,405 1.58,406 4.326,407 2.422,408 1.471,409 2.042,411 4.039,412 1.409,413 2.817,414 1.532,415 4.082,416 2.412,417 1.427,418 1.91,420 3.225,421 1.387,422 2.651,423 1.488,424 3.751,425 2.165,426 1.257,427 1.716,428 2.992,429 1.149,430 2.5,431 1.256,432 3.587,433 2.142,434 1.175,435 1.5,436 2.887,437 1.118,438 2.489,439 1.195,440 3.476,441 2,442 1.038,443 1.484,445 2.527,446 1,447 2.381,448 1.077,449 3.414,450 1.993,451 1,452 1.369,454 2.275,455 0.986,456 2.003,457 1.063,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 16.667,466 0.476,467 0.688,468 0.02,469 44.75,470 1.279,471 21,472 0.6,473 23.75,474 0.679,475 32.83,476 0.938,477 37.333,478 0.566,479 34.062,480 0.973,481 8.601,482 0.246,483 8.641,484 0.247,485 0.02,487 0.318,493 0.949,494 1.374,495 0.824,496 1.097,497 0.889,498 0.969,499 1.186,500 1.106,501 0.986,502 0.974,503 0.729,504 0.953,505 0.923,506 1.107,507 1,508 1.045,509 0.827,510 1.037,511 0.807,512 1.11,513 0.93,514 0.976,515 0.764,516 0.957,517 0.831,518 0.999,519 0.943,520 0.888,521 0.741,522 0.907,523 0.893,524 0.999,525 1.082,526 1.016,527 0.785,528 1.047,529 0.82,530 1.102,531 1.074,532 1.144,533 0.774,534 1.137,535 0.784,536 0.972,537 1.042,538 1.111,539 0.832,540 1.108,541 5.5,542 0.155,543 3.333,544 1.722,545 1.676,546 1.219,547 0.893,548 0.52,549 0.32,550 0.246,551 19267,552 43131,553 2.227,554 47,555 1,556 23,557 1,559 2,561 4,564 1.771,565 2.165,566 3.583,567 0.134,573 97.134,574 1.472,575 3.643,576 4.703,577 5.196,578 5.287,579 5.287,580 3.057,581 4.786,582 5.094,583 3.798,584 2259.85,585 8.968,586 34759.8,591 398.93,592 1.069,593 5.093,594 0.138,595 0.005,596 0.06,597 0.03,598 0.03,599 0.021,600 0.016,601 0.01,602 0.007,603 0.006,604 0.322,605 0.17,606 0.75,607 0.293,608 188.159,609 -0.038,610 -0.189,611 0.072,612 -0.039,613 -0.031,614 0.017,615 -0.093,616 0.029,617 -0.034,618 0.019,619 0.029,620 0.001,621 0.03,622 -0.065,623 -0.034,624 -0.055,625 0.025,626 -0.06,627 -0.013,628 -0.079,629 0.045,630 -0.015,631 0.006,632 0.017,633 0.049,634 0.059,635 0.035,636 0.067,637 0.064,638 0.055,639 -0.041,640 0.078,641 -0.12,642 -0.048,643 -0.09,644 -0.082,645 0.021,646 -0.082,647 -0.118,648 -0.145,649 -0.029,650 -0.145,651 0.046,652 0.003,653 -0.076,654 -0.109,655 0.029,656 -0.105,657 1.445,658 4.061,659 0.943,660 42.183,661 0.995,662 1.126,663 3.406,664 11.599,665 0.664,666 3.714,667 4.043,668 4.357,669 4.673,670 4.963,671 5.1,672 5.352,673 5.565,674 5.727,675 5.872,676 7.52,677 0.627,678 469.64,679 3.714,680 5.263,681 6.129,682 7.017,683 7.902,684 8.8,685 9.697,686 10.602,687 11.506,688 12.417,689 7.6,692 1,695 1,697 1,699 2,703 2,704 10,705 2,706 1,709 6,711 22,726 1,728 1,731 66,733 22,734 2,735 40,737 71,738 28,739 18,740 3,741 9,746 6,747 7,755 2,756 1,758 2,761 18,762 10,763 1,781 31,782 6,783 2,784 7,790 5,794 0.833,795 2,806 1,807 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,853 1,854 9,856 1,858 1,859 2,870 3,872 1,874 1,877 16.167,878 11.583,879 7.583,880 4.154,881 3.737,882 1.43,883 1.012,884 6.426,885 12.421,886 3.951,887 4.546,888 5.161,889 5.788,890 6.359,891 6.729,892 7.242,893 7.714,894 8.066,895 8.441,896 1,897 57,898 12.989,900 5.615,901 7.505,902 25.626,904 21.968,905 2.005,906 70.167,910 341.362,911 137.617,912 56.605,914 53.683,917 137.617,918 395.045,919 56.605,921 24.782,922 94.334,923 87.254,924 37.063,925 16.243,926 329.591,928 341.362,929 194.222,930 53.683,933 296.605,934 89.768,935 11,937 46.836,938 111.487,939 33.571,941 341.362,942 110.288,943 137.617,946 341.362,947 43.283,948 100.582,949 16.786,950 87.254,951 341.362,952 110.288,953 137.617,955 0.578,956 0.338,957 0.191,958 0.109,959 29,960 11,961 0.07,962 5,963 1,964 1.061,965 4.634,966 353.02,967 0.061,968 33,969 167.525,974 22.536,975 9.98,976 4.789,977 1.999,978 93.503,979 20.073,980 10.001,981 3.522,984 5.265,986 59.469,987 589.267,988 51,999 65.65,1000 74.308,1001 0.243,1002 0.603,1003 0.778,1004 0.86,1005 0.875,1006 0.875,1007 5.196,1008 1.734,1009 6.098,1010 6.032,1011 4.727,1012 5.234,1013 1.598,1014 6.915,1015 4.642,1016 6.377,1017 1.471,1018 7.649,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.803,1024 4.079,1025 7.673,1026 1.427,1027 9.303,1028 4.039,1029 6.315,1030 7.422,1031 1.256,1032 10.951,1033 6.154,1034 9.006,1035 1.257,1036 11.02,1037 3.225,1038 6.661,1039 8.048,1040 0.581,1041 12.724,1042 6.464,1043 10.377,1044 1.175,1045 12.781,1046 2.992,1047 8.197,1048 9.963,1049 1.023,1050 15.378,1051 7.966,1052 11.776,1053 1.038,1054 14.571,1055 2.887,1056 8.956,1057 11.04,1058 0.515,1059 17.521,1060 8.691,1061 13.198,1062 1,1063 16.384,1064 2.527,1065 10.254,1066 12.72,1067 0.84,1068 20.017,1069 9.955,1070 3.289,1071 1,1072 18.215,1073 2.275,1074 11.219,1075 14.025,1076 0.441,1077 22.323,1078 10.884,1079 2.87,1080 11.617,1081 20.059,1082 2.136,1083 12.421,1084 15.607,1085 0.689,1086 24.771,1087 12.052,1088 2.768,1089 9.599,1090 21.914,1091 4.638,1092 13.488,1093 17.027,1094 0.373,1095 27.148,1096 13.081,1097 2.649,1098 9.006,1099 23.778,1100 3.81,1101 14.657,1102 18.57,1103 0.564,1104 29.585,1105 14.215,1106 2.365,1107 7.742,1108 25.65,1109 3.457,1110 15.775,1111 20.046,1112 0.314,1113 31.997,1114 15.295,1115 2.223,1116 7.121,1117 27.529,1118 3.353,1119 16.937,1120 21.577,1121 0.461,1122 34.435,1123 16.421,1124 2.088,1125 6.096,1126 29.414,1127 2.996,1128 18.081,1129 23.081,1130 0.264,1131 36.864,1132 17.527,1133 17525,1134 26390,1135 28.027,1136 43.836,1137 60.456,1138 60.475,1139 60.737,1140 60.308,1141 60.236,1142 76.671,1143 5.498,1144 172.635,1145 57.556,1146 5.694,1147 5.405,1148 6.705,1149 5.353,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.167,1155 8.124,1156 1.511,1157 1.512,1158 1.518,1159 1.508,1160 1.506,1161 1.917,1162 0.137,1163 4.316,1164 1.439,1165 4.153,1166 4.196,1167 4.122,1168 4.027,1169 6.471,1170 4.045,1171 3.931,1172 3.973,1173 3.854,1174 3.855,1175 5.093,1176 3.849,1177 3.879,1178 3.905,1179 3.82,1180 3.809,1181 4.755,1182 3.808,1183 3.779,1184 3.833,1185 3.67,1186 3.622,1187 4.631,1188 3.626,1189 3.699,1190 3.758,1191 3.579,1192 3.494,1193 4.614,1194 3.507,1195 3.305,1196 3.366,1197 3.24,1198 3.125,1199 4.381,1200 3.142,1201 3.178,1202 3.255,1203 3.049,1204 3.005,1205 4.252,1206 3.008,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.005,1212 2.91,1213 0.117,1214 0.085,1215 0.173,1216 0.106,1217 0.082,1218 4.694,1219 0.116,1220 3.405,1221 0.023,1222 6.903,1223 0.29,1224 4.25,1225 0.079,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.167,1231 1.957,1232 1.926,1233 2.089,1234 2.092,1235 1.446,1236 2.085,1237 1.923,1238 1.891,1239 2.022,1240 2.049,1241 1.217,1242 2.047,1243 1.836,1244 1.8,1245 1.991,1246 1.949,1247 1.146,1248 1.962,1249 1.767,1250 1.717,1251 1.929,1252 1.94,1253 1.079,1254 1.946,1255 1.577,1256 1.527,1257 1.711,1258 1.794,1259 0.875,1260 1.776,1261 1.431,1262 1.366,1263 1.606,1264 1.646,1265 0.825,1266 1.638,1267 1.161,1268 1.091,1269 1.513,1270 1.379,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.755,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.867,1286 6.862,1287 10.534,1294 10.061,1295 8.374,1297 5.584,1299 0.459,1300 4.829,1305 41.385,1306 97.134,1307 240.471,1308 310.401,1309 342.93,1310 348.93,1311 348.93,1312 48.806,1313 8.684,1314 77.51,1315 77.51,1316 35,1317 12.933,1318 4.524,1319 3.585,1320 46.924,1321 152,1322 189,1323 0.145,1324 247.686,1325 421.38,1326 596.113,1327 77214,1329 23.614,1330 0.675,1331 0.567,1332 23.614,1333 19.859,1334 17.242,1335 0.431,1336 0.313,1337 12.355,1338 16.645,1339 12.14,1340 9.949,1341 17.242,1342 12.518,1343 15.415,1344 0.275,1345 0.17,1346 15.415,1347 9.524,1348 13.42,1349 0.174,1350 0.094,1351 13.42,1352 7.227,1353 11.712,1354 0.11,1355 0.05,1356 11.712,1357 5.342,1358 9.966,1359 0.07,1360 0.027,1361 9.966,1362 3.899,1363 0.227,1364 107.489,1365 0.189,1366 32.103,1367 0.402,1368 192,1369 476.799,1370 207.418,1371 464.128,1372 652.66,1373 440,1374 229,1375 491.202,1376 246.335,1377 498.907,1378 738.65,1379 472,1380 6.469}
{0 CHEMBL1088832,1 1.568,2 13.472,3 4.995,4 24.952,5 136.788,6 7.388,7 0.537,8 4.305,9 4.425,10 3.874,11 3.834,12 5.357,13 3.821,14 4.879,15 5.055,16 4.247,17 4.259,18 5.896,19 4.225,20 5.163,21 5.38,22 4.305,23 4.421,24 6.121,25 4.342,26 5.226,27 5.479,28 4.258,29 4.42,30 6.105,31 4.323,32 5.203,33 5.448,34 4.295,35 4.434,36 6.104,37 4.345,38 5.216,39 5.445,40 4.296,41 4.473,42 6.124,43 4.379,44 5.22,45 5.448,46 4.26,47 4.463,48 6.102,49 4.357,50 5.249,51 5.49,52 4.19,53 4.434,54 6.157,55 4.316,56 0.042,57 1.065,58 13.844,59 6.051,60 9.572,61 7.891,62 0.285,63 1.775,64 27.236,65 10.134,66 28.361,67 13.62,68 0.488,69 2.221,70 38.601,71 14.042,72 52.585,73 19.321,74 0.431,75 2.28,76 42.375,77 14.292,78 51.661,79 20.901,80 0.538,81 2.211,82 40.913,83 13.674,84 56.553,85 20.253,86 0.569,87 2.317,88 40.706,89 14.212,90 48.783,91 20.269,92 0.402,93 2.235,94 40.765,95 15.265,96 42.002,97 21.526,98 0.521,99 2.291,100 43.554,101 16.151,102 63.307,103 22.08,104 5,105 58,106 0.247,107 0.595,108 0.765,109 0.832,110 0.832,111 0.832,112 3.616,113 0.923,114 -5,115 -4.9,116 -4.6,119 42.4,121 2,122 1,125 7,142 8,143 3,144 2,146 1,147 1,149 1,151 1,152 1,172 11,174 2,175 6,180 3,183 11,186 1,187 8,190 3,192 3,195 4,198 1,199 10,204 3,207 3,211 1,212 6,215 2,217 1,220 8,223 1,224 5,227 2,229 2,232 12,236 1,237 3,240 1,242 2,245 10,249 2,250 5,254 1,255 3,258 5,263 7,268 4,271 2,275 2636,276 24.894,277 24.894,278 24.894,279 24.894,280 24.894,281 22.332,282 29.317,283 14.711,284 25.522,285 20.301,286 20.301,287 20.301,288 20.301,289 20.301,290 16.411,291 36.691,292 7.074,293 21.353,294 4.476,295 2.261,296 1.182,297 0.758,298 0.758,299 0.758,300 4.337,305 1,306 1088,307 2.646,310 81.089,311 544.886,314 147.648,318 2.142,319 34.253,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78,331 485,332 4.694,333 3.405,334 6.903,335 4.25,336 3.289,337 4.638,338 0.916,339 11.617,340 3.167,341 4.19,342 3.113,343 6.33,344 3.842,345 2.871,346 3.81,347 0.86,348 9.599,349 2.789,350 4.035,351 3.005,352 6.124,353 3.731,354 2.769,355 3.62,356 0.8,357 9.006,358 2.66,359 3.983,360 2.878,361 5.644,362 3.649,363 2.685,364 3.354,365 0.172,366 7.779,367 2.591,368 3.609,369 2.833,370 5.531,371 3.38,372 2.438,373 2.996,375 7.149,376 2.286,377 3.589,378 2.545,379 5.156,380 3.197,381 2.257,382 2.778,384 6.377,385 2.112,386 3.401,387 2.378,388 5.05,389 3.113,390 2.163,391 2.549,393 6.074,394 2.041,395 3.169,396 2.305,397 4.837,398 2.885,399 1.94,400 2.252,402 5.469,403 1.819,404 2.944,405 2.12,406 4.723,407 2.634,408 1.713,409 2.138,411 4.8,412 1.573,413 2.888,414 1.545,415 4.326,416 2.418,417 1.471,418 1.956,420 4.039,421 1.388,422 2.652,423 1.532,424 4.079,425 2.167,426 1.263,427 1.718,428 3.176,429 1.149,430 2.5,431 1.256,432 3.751,433 2.148,434 1.178,435 1.5,436 2.893,437 1.124,438 2.492,439 1.198,440 3.476,441 2,442 1.04,443 1.488,445 2.528,446 1,447 2.383,448 1.077,449 3.414,450 1.994,451 1,452 1.371,454 2.275,455 0.987,456 2.005,457 1.072,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 16.952,466 0.471,467 0.794,468 0.022,469 45.5,470 1.264,471 21,472 0.583,473 24.5,474 0.681,475 34.219,476 0.951,477 38.848,478 0.589,479 35.762,480 0.993,481 8.805,482 0.245,483 8.831,484 0.245,485 0.037,487 0.342,491 1,493 0.793,494 1.255,495 0.774,496 1.096,497 0.666,498 0.961,499 0.973,500 1.049,501 0.928,502 0.975,503 0.582,504 0.942,505 0.903,506 1.059,507 0.998,508 1.043,509 0.801,510 1.042,511 0.749,512 1.004,513 0.933,514 0.972,515 0.677,516 0.971,517 0.626,518 0.872,519 0.897,520 0.884,521 0.461,522 0.913,523 0.767,524 0.878,525 1.074,526 1.011,527 0.684,528 1.066,529 0.671,530 1.003,531 1.018,532 1.142,533 0.563,534 1.137,535 0.921,536 0.974,537 1.083,538 1.109,539 1,540 1.121,541 6.5,542 0.18,543 3.778,544 1.785,545 1.867,546 1.275,547 0.975,548 0.582,549 0.332,550 0.273,551 20902,552 53524,553 2.203,554 45.5,555 1,556 22,557 1,559 2,561 4,564 1.776,565 2.118,566 3.648,567 0.148,573 103.508,574 1.568,575 3.783,576 4.863,577 5.287,578 5.287,579 5.287,580 3.121,581 4.76,582 5.134,583 3.866,584 2435.72,585 9.043,586 38452,591 398.93,592 1.194,593 5.125,594 0.159,595 0.006,596 0.065,597 0.03,598 0.033,599 0.022,600 0.017,601 0.011,602 0.007,603 0.007,604 0.355,605 0.17,606 0.75,607 0.375,608 195.851,609 -0.047,610 -0.163,611 0.061,612 -0.039,613 -0.031,614 0.017,615 -0.084,616 -0.008,617 -0.021,618 0.016,619 0.042,620 0.01,621 -0.018,622 -0.06,623 -0.051,624 -0.054,625 0.003,626 -0.064,627 -0.036,628 -0.064,629 0.022,630 -0.014,631 -0.022,632 0.012,633 0.034,634 0.032,635 0.044,636 0.066,637 0.036,638 0.061,639 -0.019,640 0.109,641 -0.14,642 -0.045,643 -0.068,644 -0.097,645 0.019,646 -0.093,647 -0.091,648 -0.146,649 -0.009,650 -0.138,651 -0.023,652 0.013,653 -0.113,654 -0.106,655 -0.05,656 -0.12,657 1.861,658 5.256,659 0.917,660 44.827,661 1.002,662 1.131,663 3.772,664 14.226,665 0.663,666 3.738,667 4.078,668 4.382,669 4.691,670 4.99,671 5.124,672 5.371,673 5.58,674 5.74,675 5.894,676 7.822,677 0.633,678 487.63,679 3.738,680 5.293,681 6.159,682 7.048,683 7.933,684 8.831,685 9.727,686 10.632,687 11.535,688 12.444,689 7.6,692 1,695 1,697 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,726 1,728 1,730 1,731 66,733 22,734 2,735 41,737 71,738 28,739 18,740 4,741 8,746 6,747 7,755 2,756 1,758 2,761 18,762 10,763 1,779 1,781 30,782 7,783 2,784 8,790 5,794 0.833,795 2,806 1,807 1,811 1,812 5,815 1,836 1,839 1,840 5,846 1,848 36,853 1,854 9,856 1,858 1,859 2,869 1,870 3,872 1,874 1,877 17,878 11.643,879 7.75,880 4.134,881 3.77,882 1.43,883 1.012,884 6.617,885 12.541,886 3.97,887 4.577,888 5.187,889 5.809,890 6.388,891 6.755,892 7.252,893 7.72,894 8.07,895 8.446,896 0.889,897 59,898 13.378,900 5.841,901 7.662,902 26.048,904 22.337,905 2.162,906 77.833,910 329.591,911 137.262,912 56.605,914 53.683,915 14.96,917 137.262,918 383.274,919 71.565,921 24.782,922 84.857,923 87.254,924 46.184,925 31.203,926 317.82,928 329.591,929 193.867,930 68.643,933 299.794,934 89.768,935 11,937 46.836,938 111.132,939 33.571,941 344.551,942 110.288,943 137.262,946 329.591,947 52.404,948 91.106,949 16.786,950 102.214,951 329.591,952 125.249,953 137.262,955 0.583,956 0.339,957 0.187,958 0.109,959 30,960 12,961 0.07,962 5,963 1,964 1.061,965 4.696,966 365.445,967 0.061,968 33,969 174.117,974 23.414,975 10.174,976 4.996,977 1.923,978 108.463,979 16.036,980 9.953,981 3.492,984 4.682,986 59.469,987 592.101,988 52,999 66.163,1000 74.648,1001 0.259,1002 0.626,1003 0.804,1004 0.875,1005 0.875,1006 0.875,1007 5.223,1008 1.94,1009 6.138,1010 6.074,1011 4.762,1012 5.265,1013 1.598,1014 6.956,1015 4.668,1016 6.414,1017 1.713,1018 7.693,1019 5.469,1020 4.29,1021 5.037,1022 0.57,1023 7.847,1024 4.147,1025 7.716,1026 1.471,1027 9.348,1028 4.8,1029 6.358,1030 7.464,1031 1.256,1032 10.979,1033 6.186,1034 9.054,1035 1.263,1036 11.063,1037 4.039,1038 6.723,1039 8.115,1040 0.581,1041 12.741,1042 6.511,1043 10.427,1044 1.178,1045 12.819,1046 3.176,1047 8.237,1048 10.005,1049 1.023,1050 15.392,1051 7.995,1052 11.827,1053 1.04,1054 14.605,1055 2.893,1056 9,1057 11.088,1058 0.515,1059 17.528,1060 8.723,1061 13.247,1062 1,1063 16.413,1064 2.528,1065 10.287,1066 12.755,1067 0.84,1068 20.023,1069 9.979,1070 3.289,1071 1,1072 18.238,1073 2.275,1074 11.251,1075 14.06,1076 0.441,1077 22.326,1078 10.907,1079 2.871,1080 11.617,1081 20.078,1082 2.275,1083 12.447,1084 15.634,1085 0.689,1086 24.773,1087 12.071,1088 2.769,1089 9.599,1090 21.93,1091 4.638,1092 13.511,1093 17.051,1094 0.373,1095 27.15,1096 13.099,1097 2.685,1098 9.006,1099 23.791,1100 3.81,1101 14.677,1102 18.59,1103 0.564,1104 29.586,1105 14.23,1106 2.438,1107 7.779,1108 25.661,1109 3.62,1110 15.792,1111 20.063,1112 0.314,1113 31.998,1114 15.308,1115 2.257,1116 7.149,1117 27.538,1118 3.354,1119 16.952,1120 21.591,1121 0.461,1122 34.435,1123 16.432,1124 2.163,1125 6.377,1126 29.421,1127 2.996,1128 18.094,1129 23.093,1130 0.264,1131 36.864,1132 17.537,1133 19107,1134 30711,1135 28.433,1136 43.773,1137 62.255,1138 62.601,1139 62.921,1140 62.103,1141 61.99,1142 78.629,1143 5.498,1144 179.248,1145 58.924,1146 5.694,1147 5.405,1148 6.705,1149 5.353,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.167,1155 12.061,1156 1.518,1157 1.527,1158 1.535,1159 1.515,1160 1.512,1161 1.918,1162 0.134,1163 4.372,1164 1.437,1165 4.153,1166 4.196,1167 4.122,1168 4.027,1169 8.201,1170 4.045,1171 3.938,1172 3.978,1173 3.876,1174 3.854,1175 6.471,1176 3.854,1177 3.879,1178 3.905,1179 3.822,1180 3.809,1181 5.092,1182 3.808,1183 3.781,1184 3.835,1185 3.675,1186 3.622,1187 4.647,1188 3.627,1189 3.701,1190 3.759,1191 3.583,1192 3.494,1193 4.631,1194 3.507,1195 3.309,1196 3.368,1197 3.245,1198 3.125,1199 4.614,1200 3.144,1201 3.189,1202 3.261,1203 3.086,1204 3.004,1205 4.378,1206 3.014,1207 3.111,1208 3.206,1209 2.883,1210 2.941,1211 4.237,1212 2.91,1213 0.114,1214 0.083,1215 0.168,1216 0.104,1217 0.08,1218 4.694,1219 0.113,1220 3.405,1221 0.022,1222 6.903,1223 0.283,1224 4.25,1225 0.077,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.167,1231 1.956,1232 1.926,1233 2.084,1234 2.092,1235 1.446,1236 2.084,1237 1.918,1238 1.887,1239 2.017,1240 2.049,1241 1.217,1242 2.046,1243 1.833,1244 1.799,1245 1.976,1246 1.949,1247 1.14,1248 1.955,1249 1.767,1250 1.717,1251 1.928,1252 1.941,1253 1.079,1254 1.946,1255 1.576,1256 1.526,1257 1.71,1258 1.794,1259 0.872,1260 1.776,1261 1.429,1262 1.365,1263 1.6,1264 1.646,1265 0.825,1266 1.637,1267 1.153,1268 1.084,1269 1.513,1270 1.38,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.747,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.284,1284 4.727,1285 8.903,1286 6.862,1287 10.569,1291 13.256,1294 10.056,1295 7.777,1297 5.571,1299 0.396,1300 4.691,1305 41.768,1306 103.508,1307 249.69,1308 320.93,1309 348.93,1310 348.93,1311 348.93,1312 57.421,1313 8.771,1314 77.51,1315 77.51,1316 35,1317 12.962,1318 4.524,1319 3.585,1320 48.956,1321 163,1322 213,1323 0.141,1324 248.884,1325 427.45,1326 599.037,1327 86365,1328 1.5,1329 24.485,1330 0.68,1331 0.56,1332 23.614,1333 20.16,1334 17.636,1335 0.43,1336 0.308,1337 12.43,1338 16.921,1339 12.234,1340 9.997,1341 17.242,1342 12.618,1343 16.037,1344 0.276,1345 0.167,1346 15.415,1347 9.665,1348 13.831,1349 0.175,1350 0.092,1351 13.42,1352 7.297,1353 11.854,1354 0.11,1355 0.05,1356 11.712,1357 5.348,1358 10.257,1359 0.07,1360 0.027,1361 9.966,1362 3.936,1363 0.223,1364 110.718,1365 0.188,1366 32.925,1367 0.388,1368 198,1369 570.91,1370 217.248,1371 526.221,1372 724.01,1373 496,1374 236,1375 534.535,1376 256.245,1377 535.417,1378 791.91,1379 506,1380 6.75}
{0 CHEMBL1088833,1 1.588,2 8.522,3 1.809,4 3.271,5 86.69,6 7.57,7 0.615,8 3.847,9 3.962,10 3.436,11 3.35,12 4.931,13 3.352,14 4.388,15 4.555,16 3.779,17 3.744,18 5.439,19 3.725,20 4.582,21 4.792,22 3.806,23 3.843,24 5.569,25 3.79,26 4.581,27 4.812,28 3.758,29 3.809,30 5.574,31 3.749,32 4.535,33 4.75,34 3.75,35 3.81,36 5.526,37 3.751,38 4.568,39 4.781,40 3.699,41 3.809,42 5.599,43 3.739,44 4.547,45 4.785,46 3.495,47 3.706,48 5.469,49 3.595,50 4.391,51 4.653,52 3.178,53 3.499,54 5.257,55 3.349,56 0.051,57 0.635,58 8.382,59 3.499,60 7.861,61 4.534,62 0.289,63 1.023,64 16.397,65 5.8,66 21.757,67 7.6,68 0.282,69 1.192,70 20.925,71 7.044,72 24.603,73 10.068,74 0.325,75 1.194,76 21.397,77 6.872,78 30.465,79 9.953,80 0.253,81 1.141,82 19.847,83 6.768,84 25.186,85 9.735,86 0.354,87 1.165,88 20.589,89 6.614,90 36.047,91 9.49,92 0.328,93 1.048,94 21.149,95 7.237,96 27.573,97 10.363,98 0.306,99 0.827,100 19.028,101 6.793,102 25.468,103 9.698,104 3,105 36,106 0.279,107 0.656,108 0.796,109 0.846,110 0.846,111 0.846,112 3.19,113 0.892,114 -3.79,115 -3.75,116 -3.57,119 41.5,125 5,142 5,143 3,147 1,149 1,151 1,161 1,172 7,174 2,175 5,178 1,180 3,183 6,186 1,187 7,192 2,195 3,198 1,199 5,202 2,204 3,207 1,211 1,212 5,217 3,220 3,224 3,227 2,229 2,232 4,236 1,237 2,240 1,242 1,245 3,250 2,253 1,254 1,255 1,258 1,263 2,268 1,275 653,276 16.162,277 16.162,278 16.162,279 16.162,280 16.162,281 14.397,282 15.171,283 9.652,284 16.616,285 12.824,286 12.824,287 12.824,288 12.824,289 12.824,290 10.059,291 20.255,292 4.531,293 13.564,294 3.769,295 1.618,296 0.82,297 0.537,298 0.537,299 0.537,300 3.892,303 1,304 1,305 1,306 433,307 2.121,310 47.206,311 176.543,314 82.948,318 1.195,319 19.261,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 196,332 4.604,333 3.305,334 6.732,335 4.144,336 3.194,337 4.53,338 0.86,339 11.014,340 3.037,341 4.168,342 2.916,343 6.132,344 3.779,345 2.797,346 3.798,347 0.8,348 9.047,349 2.748,350 3.738,351 2.721,352 5.767,353 3.432,354 2.508,355 3.091,356 0.765,357 7.816,358 2.311,359 3.647,360 2.483,361 5.281,362 3.27,363 2.295,364 3.007,366 6.694,367 2.234,368 3.015,369 2.233,370 4.679,371 2.695,372 1.79,373 2.178,375 4.788,376 1.615,377 2.969,378 1.615,379 4.382,380 2.483,381 1.518,382 2.095,384 4.159,385 1.461,386 2.666,387 1.554,388 3.715,389 2.188,390 1.252,391 1.743,393 2.934,394 1.177,395 2.5,396 1.256,397 3.492,398 2.086,399 1.163,400 1.5,402 2.591,403 1.056,404 2.373,405 1.211,406 3.444,407 1.962,408 1,409 1.358,411 2.34,412 0.959,413 2,414 1,415 3.326,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.929,423 0.933,424 3.247,425 1.456,426 0.53,427 0.728,428 1.451,429 0.489,430 1.583,431 0.594,432 2.721,433 1.319,434 0.426,435 0.48,436 0.621,437 0.375,438 0.976,439 -0.295,440 2.689,441 0.527,442 -0.405,443 -0.511,445 -1.092,446 -0.375,447 0.777,448 -0.36,449 2.527,450 0.386,451 -0.574,452 -0.729,454 -1.346,455 -0.551,456 0.594,457 -0.424,458 2.182,459 0.17,460 -0.789,461 -0.998,463 -1.889,464 -0.753,465 10.767,466 0.468,467 0.41,468 0.018,469 30.5,470 1.326,471 14.5,472 0.63,473 16,474 0.696,475 16.632,476 0.723,477 24.633,478 0.601,479 20.804,480 0.905,481 6.144,482 0.267,483 5.203,484 0.226,485 0.031,487 0.316,493 0.969,494 1.411,495 0.774,496 1.099,497 0.944,498 0.933,499 1.233,500 1.009,501 0.962,502 0.89,503 0.986,504 0.886,505 0.924,506 1.233,507 0.928,508 1.015,509 0.637,510 0.977,511 0.868,512 0.986,513 0.938,514 0.908,515 0.976,516 0.916,517 0.814,518 1.136,519 0.931,520 1.009,521 0.814,522 0.98,523 0.978,524 1.049,525 1.17,526 1.055,527 0.84,528 1.108,529 0.827,530 0.999,531 1.108,532 1.136,533 0.723,534 1.157,535 0.708,536 0.818,537 1.002,538 1.053,539 0.693,540 1.081,541 3.5,542 0.021,543 2.222,544 1.063,545 1.128,546 0.781,547 0.344,548 0.218,549 0.143,550 0.066,551 5449,552 14166,553 2.196,554 43.9,556 15,557 1,559 2,564 1.664,565 2.123,566 3.09,567 0.321,568 1,569 1,571 1,573 65.114,574 1.588,575 3.74,576 4.538,577 4.821,578 4.821,579 4.821,580 2.475,581 4.263,582 4.495,583 3.182,584 804.979,585 7.773,586 8884.72,587 1,588 1,590 1,591 219.66,592 1.121,593 4.483,594 0.135,595 0.005,596 0.062,597 0.03,598 0.033,599 0.023,600 0.011,601 0.009,602 0.008,603 0.007,604 0.322,605 0.5,606 1,607 0.59,608 105.329,609 -0.094,610 -0.23,611 0.054,612 -0.057,613 -0.111,614 0.01,615 -0.123,616 0.105,617 -0.045,618 0.088,619 -0.106,620 0.034,621 -0.045,622 -0.189,623 0.009,624 -0.042,625 0.049,626 -0.017,627 -0.029,628 0.074,629 0.014,630 0.035,631 -0.059,632 0.032,633 -0.024,634 -0.078,635 -0.005,636 -0.034,637 -0.022,638 -0.015,639 -0.081,640 0.035,641 -0.236,642 -0.112,643 -0.026,644 -0.177,645 0.031,646 -0.026,647 -0.144,648 -0.159,649 -0.028,650 -0.172,651 0.125,652 0.057,653 -0.008,654 -0.043,655 0.105,656 -0.047,657 1.491,658 3.337,659 0.913,660 16.113,661 1.006,662 1.13,663 2.559,664 6.55,665 0.665,666 3.296,667 3.611,668 3.932,669 4.234,670 4.489,671 4.595,672 4.787,673 4.905,674 4.949,675 4.977,676 5.107,677 0.639,678 310.39,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.357,685 9.251,686 10.15,687 11.048,688 11.95,689 9.8,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 41,733 16,734 1,735 26,737 44,738 17,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 5,777 1,778 1,781 18,782 5,783 2,784 6,790 4,794 0.75,795 2,796 1,806 1,807 1,811 1,812 3,815 1,838 1,839 1,840 3,848 23,853 1,854 5,856 1,859 1,870 4.9,871 1,874 1,877 10.833,878 7.217,879 5.111,880 2.425,881 3.091,882 1.425,883 0.997,884 3.894,885 10.371,886 3.555,887 4.171,888 4.827,889 5.474,890 6.032,891 6.433,892 6.935,893 7.366,894 7.641,895 7.98,896 0.833,897 36,898 8.489,900 3.626,901 7.652,902 16.41,904 13.639,905 2.152,906 49.5,910 188.338,911 85.14,912 53.481,914 53.683,917 85.14,918 242.021,919 53.481,921 13.396,922 99.112,923 46.286,924 31.182,925 14.099,926 176.567,928 188.338,929 138.621,930 53.683,933 190.666,935 53.683,937 31.897,938 70.825,939 33.571,941 188.338,942 107.164,943 85.14,946 188.338,947 28.711,948 59.553,949 16.786,950 87.254,951 188.338,952 107.164,953 85.14,955 0.571,956 0.345,957 0.197,958 0.109,959 19,960 7,961 0.068,962 3,963 1,964 1.095,965 3.54,966 194.295,967 0.095,968 21,969 100.042,974 14.486,975 6.183,976 2.778,977 1.847,978 90.379,979 11.585,980 9.43,981 3.179,984 3.355,986 59.469,987 380.642,988 34,999 41.247,1000 46.318,1001 0.296,1002 0.698,1003 0.847,1004 0.9,1005 0.9,1006 0.9,1007 4.779,1008 1.163,1009 5.659,1010 2.934,1011 4.29,1012 4.856,1013 1.528,1014 6.479,1015 4.188,1016 5.971,1017 1,1018 7.213,1019 2.591,1020 3.761,1021 4.62,1022 0.325,1023 7.38,1024 3.636,1025 7.276,1026 1,1027 8.871,1028 2.34,1029 5.878,1030 7.103,1031 1.175,1032 10.518,1033 5.689,1034 8.623,1035 0.53,1036 10.592,1037 2.136,1038 6.236,1039 7.784,1040 0.268,1041 12.282,1042 6.022,1043 10.008,1044 0.426,1045 12.355,1046 1.451,1047 7.763,1048 9.686,1049 0.908,1050 14.917,1051 7.493,1052 11.419,1053 -0.405,1054 14.147,1055 0.621,1056 8.534,1057 10.793,1058 0.188,1059 17.031,1060 8.23,1061 12.85,1062 -0.574,1063 15.958,1064 -1.092,1065 9.821,1066 12.458,1067 0.694,1068 19.499,1069 9.467,1070 3.194,1071 -0.789,1072 17.785,1073 -1.346,1074 10.787,1075 13.771,1076 0.125,1077 21.765,1078 10.392,1079 2.797,1080 11.014,1081 19.623,1082 -1.889,1083 11.979,1084 15.337,1085 0.523,1086 24.177,1087 11.535,1088 2.508,1089 9.047,1090 21.47,1091 4.53,1092 13.039,1093 16.749,1094 0.082,1095 26.51,1096 12.549,1097 2.295,1098 7.816,1099 23.325,1100 3.798,1101 14.195,1102 18.275,1103 0.389,1104 28.905,1105 13.656,1106 1.79,1107 6.694,1108 25.186,1109 3.091,1110 15.3,1111 19.735,1112 0.054,1113 31.27,1114 14.712,1115 1.518,1116 4.788,1117 27.052,1118 3.007,1119 16.446,1120 21.246,1121 0.287,1122 33.661,1123 15.808,1124 1.252,1125 4.159,1126 28.922,1127 2.178,1128 17.574,1129 22.73,1130 0.035,1131 36.042,1132 16.884,1133 5148,1134 8388,1135 18.087,1136 27.262,1137 38.998,1138 39.527,1139 39.469,1140 38.915,1141 38.948,1142 51.016,1143 4.849,1144 111.179,1145 36.818,1146 5.604,1147 5.305,1148 6.534,1149 5.248,1150 5.194,1151 7.53,1152 1.72,1153 18.224,1154 5.037,1155 6.196,1156 1.5,1157 1.52,1158 1.518,1159 1.497,1160 1.498,1161 1.962,1162 0.187,1163 4.276,1164 1.416,1165 4.12,1166 4.165,1167 4.091,1168 3.989,1169 6.457,1170 4.008,1171 3.889,1172 3.918,1173 3.827,1174 3.82,1175 5.114,1176 3.819,1177 3.732,1178 3.792,1179 3.615,1180 3.507,1181 4.696,1182 3.523,1183 3.334,1184 3.388,1185 3.258,1186 3.147,1187 4.619,1188 3.165,1189 3.171,1190 3.228,1191 3.036,1192 2.958,1193 4.39,1194 2.965,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.997,1200 2.91,1201 2.948,1202 3.008,1203 2.863,1204 2.735,1205 3.642,1206 2.755,1207 2.697,1208 2.768,1209 2.558,1210 2.501,1211 3.567,1212 2.514,1213 0.177,1214 0.127,1215 0.259,1216 0.159,1217 0.123,1218 4.604,1219 0.174,1220 3.305,1221 0.033,1222 6.732,1223 0.424,1224 4.144,1225 0.117,1226 3.194,1227 4.53,1228 0.86,1229 11.014,1230 3.037,1231 1.958,1232 1.93,1233 2.045,1234 2.083,1235 1.223,1236 2.067,1237 1.8,1238 1.762,1239 1.94,1240 1.959,1241 1.154,1242 1.96,1243 1.594,1244 1.543,1245 1.739,1246 1.821,1247 0.892,1248 1.799,1249 1.459,1250 1.392,1251 1.634,1252 1.674,1253 0.825,1254 1.672,1255 1.195,1256 1.147,1257 1.513,1258 1.453,1259 0.622,1260 1.452,1261 1.153,1262 1.064,1263 1.458,1264 1.376,1265 0.566,1266 1.429,1267 0.964,1268 0.913,1269 1.158,1270 1.129,1271 0.246,1272 1.139,1273 0.749,1274 0.673,1275 1.072,1276 1.097,1277 0.234,1278 1.088,1279 3.97,1281 5.283,1282 2.398,1283 6.808,1284 4.595,1285 8.428,1286 6.605,1287 10.1,1294 9.337,1295 3.09,1297 5.439,1300 2.237,1305 26.203,1306 65.114,1307 153.321,1308 186.05,1309 197.66,1310 197.66,1311 197.66,1312 27.658,1313 7.279,1314 74.27,1315 74.27,1316 23,1317 12.472,1318 4.087,1319 3.17,1320 31.614,1321 71,1322 73,1323 0.225,1324 158.945,1325 263.62,1326 379.585,1327 13049,1329 15.648,1330 0.68,1331 0.552,1332 15.648,1333 12.697,1334 11.348,1335 0.436,1336 0.297,1337 7.592,1338 10.837,1339 7.477,1340 6.123,1341 11.348,1342 7.73,1343 9.849,1344 0.274,1345 0.155,1346 9.849,1347 5.569,1348 8.771,1349 0.175,1350 0.081,1351 8.771,1352 4.074,1353 7.552,1354 0.111,1355 0.042,1356 7.552,1357 2.879,1358 6.231,1359 0.071,1360 0.022,1361 6.231,1362 1.923,1363 0.34,1364 71.639,1365 0.235,1366 22.077,1367 0.66,1368 124,1369 355.153,1370 136.727,1371 339.114,1372 472.3,1373 322,1374 148,1375 348.574,1376 161.756,1377 352.496,1378 523.87,1379 333,1380 7.097}
{0 CHEMBL1088834,1 1.668,2 8.75,3 3.915,4 15.327,5 93.16,6 10.728,7 0.593,8 3.746,9 3.805,10 3.604,11 3.374,12 5.033,13 3.378,14 4.188,15 4.269,16 4.075,17 3.78,18 5.469,19 3.777,20 4.414,21 4.511,22 4.131,23 3.863,24 5.743,25 3.845,26 4.466,27 4.591,28 4.072,29 3.807,30 5.903,31 3.766,32 4.364,33 4.501,34 4.029,35 3.674,36 5.623,37 3.63,38 4.314,39 4.485,40 3.861,41 3.609,42 5.596,43 3.545,44 4.185,45 4.327,46 3.83,47 3.521,48 5.427,49 3.462,50 4.05,51 4.195,52 3.895,53 3.433,54 5.386,55 3.38,56 0.159,57 0.427,58 2.967,59 3.093,60 18.505,61 2.791,62 0.179,63 0.684,64 5.618,65 5.094,66 15.036,67 5.203,68 0.466,69 0.856,70 16.921,71 6.769,72 44.204,73 5.935,74 0.669,75 0.902,76 14.941,77 7.343,78 73.46,79 7.499,80 0.509,81 0.796,82 13.369,83 6.761,84 52.735,85 6.33,86 0.496,87 0.78,88 19.12,89 7.019,90 53.203,91 7.582,92 0.445,93 0.659,94 26.18,95 6.455,96 50.682,97 5.728,98 0.305,99 0.601,100 11.027,101 5.122,102 29.038,103 5.232,104 26,105 41,106 0.297,107 0.693,108 0.793,109 0.874,110 0.897,111 0.897,112 3.23,113 0.886,114 -3.48,115 -3.46,116 -3.31,117 1,119 50,120 1,135 1,136 1,142 5,143 2,144 5,152 2,156 1,172 4,175 7,180 5,183 10,187 4,190 1,192 1,195 9,199 2,202 2,203 2,204 5,207 7,211 1,212 3,217 2,220 6,224 2,227 1,228 1,229 4,232 5,237 3,242 3,245 4,250 1,253 1,255 5,258 5,266 1,268 3,271 3,275 706,276 15.826,277 15.826,278 15.826,279 15.826,280 15.826,281 13.428,282 15.142,283 8.891,284 16.15,285 13.311,286 13.311,287 13.311,288 13.311,289 13.311,290 9.648,291 15.956,292 4.242,293 13.937,294 3.502,295 1.282,296 0.719,297 0.264,298 0.132,299 0.132,300 3.92,303 1,304 1,305 1,306 461,307 2.55,310 89.027,311 116.11,314 172.423,318 1.208,319 32.321,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52.25,331 210,332 4.715,333 3.417,334 6.883,335 4.266,336 3.282,337 4.685,338 0.986,339 11.444,340 3.226,341 4.55,342 3.331,343 6.726,344 4.144,345 3.165,346 4.206,348 10.952,349 3.099,350 3.894,351 2.846,352 5.748,353 3.463,354 2.498,355 3.399,357 7.709,358 2.407,359 3.74,360 2.678,361 5.471,362 3.26,363 2.339,364 3.165,366 6.783,367 2.151,368 3.454,369 2.308,370 5.141,371 3.009,372 2.057,373 2.823,375 6.056,376 1.95,377 3.34,378 2.225,379 4.98,380 2.874,381 1.935,382 2.635,384 5.767,385 1.794,386 3.195,387 2.01,388 4.945,389 2.761,390 1.801,391 2.408,393 5.473,394 1.653,395 3.077,396 1.897,397 4.703,398 2.588,399 1.627,400 2.225,402 4.742,403 1.519,404 2.604,405 1.481,406 4.252,407 2.187,408 1.243,409 1.613,411 3.431,412 1.162,413 2.36,414 0.906,415 3.628,416 1.782,417 0.802,418 1.203,420 2.157,421 0.778,422 1.455,423 0.534,424 3.033,425 1.065,426 0.138,427 0.171,428 0.354,429 0.112,430 1.146,431 0.264,432 2.725,433 0.746,434 -0.169,435 -0.205,436 -0.428,437 -0.147,438 1.031,439 -0.005,440 2.549,441 0.651,442 -0.288,443 -0.365,445 -0.79,446 -0.236,447 0.776,448 -0.07,449 2.449,450 0.369,451 -0.542,452 -0.646,454 -1.336,455 -0.428,456 0.654,457 -0.181,458 2.314,459 0.19,460 -0.682,461 -0.825,463 -1.661,464 -0.545,465 12.067,466 0.503,467 0.822,468 0.034,469 34.25,470 1.427,471 19,472 0.792,473 15.25,474 0.635,475 18.806,476 0.784,477 23.933,478 0.665,479 23.575,480 0.982,481 6.539,482 0.272,483 4.896,484 0.204,485 0.235,487 0.456,493 0.982,494 0.861,495 0.478,496 0.633,497 1.056,498 0.646,499 0.731,500 1.084,501 0.538,502 0.795,503 0.575,504 0.731,505 1.121,506 1.027,507 1.003,508 0.986,509 1.04,510 0.968,511 0.728,512 1.108,513 0.736,514 1.008,515 0.661,516 1.104,517 1.274,518 1.012,519 0.759,520 0.912,521 1.24,522 1.014,523 0.871,524 0.94,525 0.796,526 0.875,527 0.664,528 0.928,529 1.265,530 0.932,531 1.494,532 1.173,533 1.336,534 1.071,535 0.792,536 1.104,537 0.885,538 1.024,539 0.888,540 1.006,541 6,542 0.074,543 3.111,544 3.118,545 1.578,546 0.991,547 0.494,548 0.388,549 0.309,550 0.139,551 6023,552 20866,553 2.085,554 33.3,556 6,559 3,560 3,564 1.672,565 1.895,566 3.117,567 0.998,569 1,573 60.039,574 1.668,575 3.888,576 4.451,577 4.906,578 5.038,579 5.038,580 2.492,581 4.418,582 4.561,583 3.25,584 896.883,585 7.884,586 10161.9,588 1,590 1,591 186.117,592 1.516,593 4.49,594 0.222,595 0.009,596 0.076,597 0.076,598 0.044,599 0.033,600 0.018,601 0.016,602 0.013,603 0.01,604 0.516,605 0.5,606 1,607 0.663,608 111.844,609 -0.173,610 0.106,611 -0.016,612 0.125,613 -0.242,614 0.104,615 -0.026,616 -0.109,617 0.035,618 0.002,619 0.035,620 0.079,621 -0.129,622 -0.021,623 -0.124,624 -0.088,625 -0.133,626 -0.127,627 0.271,628 -0.127,629 -0.032,630 -0.126,631 0.293,632 -0.189,633 -0.161,634 -0.05,635 0.019,636 0.013,637 -0.206,638 -0.068,639 0.079,640 0.026,641 0.025,642 0.083,643 0.184,644 0.111,645 -0.204,646 0.027,647 -0.155,648 -0.091,649 -0.235,650 -0.067,651 0.076,652 -0.116,653 0.088,654 -0.061,655 0.067,656 -0.028,657 1.907,658 4.381,659 0.75,660 16.118,661 1.026,662 1.102,663 2.254,664 5.082,665 0.743,666 3.332,667 3.738,668 4.06,669 4.407,670 4.615,671 4.727,672 4.844,673 5.004,674 5.011,675 5.075,676 5.327,677 0.724,678 386.21,679 3.332,680 4.92,681 5.808,682 6.732,683 7.638,684 8.564,685 9.476,686 10.402,687 11.317,688 12.243,689 2.8,698 1,703 2,704 5,707 1,709 7,711 16,728 3,730 1,731 36,733 18,734 2,735 27,736 1,737 39,738 18,739 14,740 7,741 5,742 3,746 4,747 6,752 1,761 17,762 1,766 2,773 1,774 1,775 2,778 1,780 1,781 12,782 5,783 3,784 6,785 1,790 1,794 0.5,795 4,811 2,812 2,815 2,823 1,831 1,832 1,840 2,843 1,844 1,848 24,853 3,869 1,870 11.1,872 3,875 1,877 12.667,878 6.86,879 5.028,880 2.001,881 4.267,882 1.564,883 0.97,884 3.529,885 11.836,886 3.638,887 4.366,888 5.047,889 5.731,890 6.298,891 6.722,892 7.182,893 7.683,894 8.009,895 8.428,896 0.833,897 41,898 8.867,900 3.988,901 7.983,902 16.41,904 13.863,905 2.483,906 59.583,910 105.94,911 93.48,912 62.74,914 137.557,917 139.435,918 243.497,919 16.786,920 8.825,922 56.857,923 130.807,924 41.049,925 10.285,926 105.94,927 45.954,928 105.94,929 110.266,930 137.557,932 45.954,933 105.94,934 137.557,937 25.611,938 75.179,939 9.476,940 45.954,941 105.94,942 154.343,943 139.435,946 105.94,947 27.798,948 65.683,949 45.954,950 154.343,951 105.94,952 154.343,953 139.435,955 0.606,956 0.362,957 0.206,958 0.112,959 23,960 11,961 0.026,962 1,963 2,964 1.222,965 3.498,966 210.778,967 0.222,968 18,969 110.039,974 15.45,975 5.481,976 2.49,977 0.376,978 154.343,979 8.272,982 5.603,984 2.339,986 128.05,987 399.717,988 37,995 1.683,996 4.501,997 1.624,999 36.942,1000 39.669,1001 0.323,1002 0.752,1003 0.861,1004 0.949,1005 0.974,1006 0.974,1007 4.913,1008 1.627,1009 5.844,1010 5.473,1011 4.419,1012 5.053,1013 1.08,1014 6.732,1015 4.339,1016 6.19,1017 1.243,1018 7.454,1019 4.742,1020 4.205,1021 5.075,1023 7.743,1024 4.06,1025 7.548,1026 0.802,1027 9.159,1028 3.431,1029 6.094,1030 7.396,1031 1.061,1032 10.891,1033 5.972,1034 8.94,1035 0.138,1036 10.918,1037 2.157,1038 6.648,1039 8.205,1041 12.731,1042 6.487,1043 10.361,1044 -0.169,1045 12.711,1046 0.354,1047 8.074,1048 10.042,1049 1.043,1050 15.41,1051 7.924,1052 11.804,1053 -0.288,1054 14.529,1055 -0.428,1056 8.98,1057 11.232,1059 17.603,1060 8.804,1061 13.266,1062 -0.542,1063 16.368,1064 -0.79,1065 10.237,1066 12.876,1067 1.024,1068 20.117,1069 10.062,1070 3.282,1071 -0.682,1072 18.222,1073 -1.336,1074 11.299,1075 14.248,1077 22.451,1078 11.103,1079 3.165,1080 11.444,1081 20.089,1082 -1.661,1083 12.497,1084 15.816,1085 1.006,1086 24.905,1087 12.293,1088 2.498,1089 10.952,1090 21.967,1091 4.685,1092 13.624,1093 17.273,1095 27.293,1096 13.402,1097 2.339,1098 7.709,1099 23.852,1100 4.206,1101 14.803,1102 18.812,1103 0.988,1104 29.727,1105 14.569,1106 2.057,1107 6.783,1108 25.745,1109 3.399,1110 15.957,1111 20.308,1113 32.136,1114 15.706,1115 1.935,1116 6.056,1117 27.643,1118 3.165,1119 17.132,1120 21.839,1121 0.971,1122 34.562,1123 16.865,1124 1.801,1125 5.767,1126 29.545,1127 2.823,1128 18.297,1129 23.353,1131 36.979,1132 18.014,1133 5749,1134 10807,1135 17.63,1136 26.744,1137 42.622,1138 42.421,1139 44.214,1140 42.02,1141 41.772,1142 57.063,1143 1.972,1144 129.734,1145 39.702,1146 5.432,1147 5.417,1148 6.188,1149 5.284,1150 5.282,1151 7.685,1152 1.972,1153 18.636,1154 5.226,1155 13.476,1156 1.579,1157 1.571,1158 1.638,1159 1.556,1160 1.547,1161 2.113,1162 0.073,1163 4.805,1164 1.47,1165 4.129,1166 4.128,1167 6.88,1168 4.037,1169 6.505,1170 4.05,1171 3.982,1172 3.998,1173 4.105,1174 3.922,1175 6.463,1176 3.923,1177 3.538,1178 3.564,1179 3.912,1180 3.475,1181 6.44,1182 3.459,1183 3.387,1184 3.414,1185 3.428,1186 3.231,1187 5.021,1188 3.244,1189 3.037,1190 3.075,1191 3.251,1192 2.872,1193 4.878,1194 2.869,1195 2.988,1196 3.016,1197 2.953,1198 2.815,1199 4.39,1200 2.811,1201 2.865,1202 2.92,1203 2.857,1204 2.787,1205 4.086,1206 2.748,1207 2.672,1208 2.717,1209 2.574,1210 2.541,1211 3.815,1212 2.53,1213 0.175,1214 0.127,1215 0.255,1216 0.158,1217 0.122,1218 4.715,1219 0.174,1220 3.417,1221 0.037,1222 6.883,1223 0.424,1224 4.266,1225 0.119,1226 3.282,1227 4.685,1228 0.986,1229 11.444,1230 3.226,1231 1.896,1232 1.89,1233 1.95,1234 1.994,1235 1.12,1236 1.977,1237 1.878,1238 1.865,1239 1.93,1240 1.929,1241 1.083,1242 1.942,1243 1.651,1244 1.626,1245 1.786,1246 1.795,1247 0.875,1248 1.79,1249 1.35,1250 1.32,1251 1.532,1252 1.568,1253 0.602,1254 1.553,1255 1.013,1256 0.983,1257 1.201,1258 1.235,1259 0.275,1260 1.214,1261 0.92,1262 0.906,1263 1.087,1264 1.167,1265 0.135,1266 1.139,1267 0.851,1268 0.807,1269 1.043,1270 1.072,1271 0.118,1272 1.05,1273 0.745,1274 0.718,1275 0.876,1276 0.967,1277 0.001,1278 0.963,1279 4.007,1281 5.389,1282 3.045,1283 6.952,1284 5.533,1285 8.602,1286 7.719,1287 10.3,1288 3.446,1289 1.878,1294 29.861,1305 26.067,1306 60.039,1307 139.978,1308 160.243,1309 176.608,1310 181.362,1311 181.362,1312 44.571,1313 7.569,1314 86.72,1315 86.72,1316 22,1317 12.75,1318 4.248,1319 3.459,1320 33.774,1321 78,1322 68,1323 0.22,1324 162.206,1325 279.5,1326 387.542,1327 19023,1328 2.8,1329 17.008,1330 0.709,1331 0.589,1332 18.008,1333 14.125,1334 11.436,1335 0.424,1336 0.295,1337 7.145,1338 10.477,1339 6.923,1340 5.681,1341 12.013,1342 7.978,1343 11.201,1344 0.273,1345 0.158,1346 12.017,1347 6.485,1348 9.477,1349 0.166,1350 0.078,1351 10.002,1352 4.452,1353 8.592,1354 0.106,1355 0.04,1356 9.031,1357 3.225,1358 6.68,1359 0.067,1360 0.022,1361 7.261,1362 2.233,1363 0.336,1364 79.942,1365 0.238,1366 22.87,1367 0.635,1368 136,1369 426.484,1370 214.443,1371 449.277,1372 605.73,1373 416,1374 166,1375 429.914,1376 207.17,1377 446.32,1378 660.22,1379 421,1380 6.747}
{0 CHEMBL1088835,1 1.549,2 9.36,3 3.15,4 9.924,5 92.001,6 8.434,7 0.571,8 3.843,9 3.91,10 3.497,11 3.385,12 5.122,13 3.409,14 4.299,15 4.401,16 3.903,17 3.766,18 5.55,19 3.792,20 4.477,21 4.579,22 3.97,23 3.854,24 5.796,25 3.874,26 4.575,27 4.708,28 3.918,29 3.851,30 5.974,31 3.829,32 4.533,33 4.699,34 3.738,35 3.728,36 5.728,37 3.698,38 4.462,39 4.645,40 3.692,41 3.67,42 5.701,43 3.635,44 4.361,45 4.519,46 3.561,47 3.58,48 5.572,49 3.553,50 4.268,51 4.435,52 3.543,53 3.501,54 5.544,55 3.469,56 0.162,57 0.509,58 6.651,59 3.745,60 18.01,61 3.68,62 0.258,63 0.81,64 11.883,65 5.972,66 20.826,67 6.338,68 0.48,69 0.957,70 14.597,71 6.741,72 44.243,73 6.696,74 0.684,75 1.035,76 17.46,77 7.867,78 74.303,79 8.893,80 0.564,81 0.968,82 19.12,83 7.721,84 57.446,85 8.729,86 0.526,87 0.923,88 18.271,89 7.267,90 56.981,91 8.768,92 0.56,93 0.833,94 15.819,95 6.094,96 55.011,97 6.498,98 0.387,99 0.768,100 13.833,101 5.921,102 35.501,103 7.089,104 27,105 42,106 0.27,107 0.667,108 0.795,109 0.867,110 0.888,111 0.888,112 3.268,113 0.815,114 -2.6,115 -2.62,116 -2.55,119 47.5,120 1,124 1,135 1,136 1,142 5,143 2,144 5,152 2,156 1,172 4,175 9,180 5,183 8,187 6,190 1,192 1,195 7,199 3,202 2,203 2,204 5,207 6,211 2,212 3,217 2,220 5,224 3,227 1,228 1,229 4,232 4,236 1,237 2,242 3,245 4,250 2,253 2,255 4,258 4,263 1,266 1,268 3,271 2,275 812,276 16.696,277 16.696,278 16.696,279 16.696,280 16.696,281 14.351,282 17.812,283 9.393,284 17.035,285 13.738,286 13.738,287 13.738,288 13.738,289 13.738,290 10.07,291 19.931,292 4.389,293 14.23,294 3.773,295 1.503,296 0.766,297 0.357,298 0.238,299 0.238,300 3.96,303 1,304 1,305 1,306 511,307 2.739,310 94.786,311 122.834,314 182.777,318 1.283,319 34.608,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55.5,331 234,332 4.715,333 3.415,334 6.883,335 4.266,336 3.282,337 4.685,338 0.986,339 11.444,340 3.228,341 4.552,342 3.33,343 6.728,344 4.149,345 3.167,346 4.209,347 0.86,348 10.96,349 3.108,350 3.905,351 2.805,352 5.751,353 3.48,354 2.512,355 3.407,357 7.732,358 2.429,359 3.771,360 2.677,361 5.504,362 3.347,363 2.397,364 3.193,366 7.026,367 2.273,368 3.459,369 2.308,370 5.185,371 3.025,372 2.068,373 2.825,375 6.215,376 1.971,377 3.356,378 2.234,379 5.137,380 2.931,381 1.965,382 2.652,384 5.995,385 1.889,386 3.216,387 2.01,388 4.959,389 2.783,390 1.81,391 2.429,393 5.501,394 1.756,395 3.08,396 1.897,397 4.737,398 2.601,399 1.635,400 2.229,402 4.824,403 1.577,404 2.605,405 1.482,406 4.253,407 2.187,408 1.243,409 1.613,411 3.431,412 1.163,413 2.362,414 1.116,415 3.628,416 1.799,417 0.823,418 1.212,420 2.166,421 0.8,422 1.716,423 0.86,424 3.058,425 1.405,426 0.521,427 0.597,428 0.899,429 0.455,430 1.275,431 0.331,432 2.819,433 0.954,434 0.006,435 0.007,436 0.014,437 0.006,438 1.144,439 0.208,440 2.723,441 0.744,442 -0.18,443 -0.224,445 -0.456,446 -0.164,447 0.975,448 -0.069,449 2.525,450 0.605,451 -0.352,452 -0.439,454 -0.9,455 -0.334,456 0.699,457 -0.18,458 2.386,459 0.358,460 -0.571,461 -0.663,463 -1.377,464 -0.515,465 11.567,466 0.463,467 0.784,468 0.031,469 35.75,470 1.43,471 19.5,472 0.78,473 16.25,474 0.65,475 17.724,476 0.709,477 26.233,478 0.656,479 27.006,480 1.08,481 7.223,482 0.289,483 4.751,484 0.19,485 0.173,487 0.476,493 0.988,494 0.99,495 0.734,496 0.894,497 1.046,498 0.776,499 0.906,500 1.019,501 0.623,502 0.882,503 0.629,504 0.718,505 1.136,506 1.044,507 0.974,508 0.988,509 1.057,510 0.937,511 0.711,512 1.17,513 0.996,514 1.201,515 0.661,516 1.181,517 1.073,518 0.997,519 1.046,520 1.036,521 1.102,522 1.042,523 0.82,524 1.006,525 0.87,526 0.973,527 0.628,528 0.948,529 1.226,530 0.929,531 1.212,532 0.924,533 1.273,534 1.023,535 0.723,536 1.179,537 0.91,538 1.179,539 0.775,540 1.118,541 6,542 0.09,543 3.111,544 3.118,545 1.618,546 1.053,547 0.59,548 0.388,549 0.333,550 0.164,551 6710,552 20961,553 2.081,554 37.5,556 9,559 3,560 3,564 1.683,565 1.899,566 3.197,567 0.966,568 1,569 1,571 1,573 61.954,574 1.549,575 3.818,576 4.556,577 4.965,578 5.084,579 5.084,580 2.593,581 4.324,582 4.618,583 3.321,584 996.322,585 8.001,586 11649.5,587 1,588 1,589 1,590 1,591 212.877,592 1.516,593 4.552,594 0.214,595 0.009,596 0.074,597 0.073,598 0.043,599 0.033,600 0.019,601 0.014,602 0.013,603 0.01,604 0.501,605 0.5,606 1,607 0.836,608 118.502,609 -0.153,610 0.038,611 -0.01,612 0.089,613 -0.225,614 0.082,615 -0.082,616 0.003,617 0.176,618 0.099,619 0.017,620 0.186,621 -0.131,622 -0.005,623 -0.14,624 -0.037,625 -0.128,626 -0.073,627 0.225,628 -0.179,629 -0.094,630 -0.233,631 0.262,632 -0.247,633 -0.071,634 -0.041,635 -0.056,636 -0.057,637 -0.132,638 -0.059,639 0.069,640 -0.039,641 0.128,642 0.011,643 0.181,644 0.065,645 -0.171,646 0.078,647 -0.242,648 0.03,649 -0.229,650 -0.086,651 0.126,652 -0.196,653 0.04,654 -0.204,655 0.104,656 -0.131,657 1.917,658 4.412,659 0.72,660 18.061,661 1.023,662 1.111,663 1.368,664 1.872,665 0.69,666 3.367,667 3.761,668 4.094,669 4.431,670 4.644,671 4.779,672 4.905,673 5.063,674 5.075,675 5.136,676 5.544,677 0.682,678 337.35,679 3.367,680 4.949,681 5.838,682 6.758,683 7.664,684 8.589,685 9.501,686 10.427,687 11.342,688 12.268,689 2.5,698 1,703 2,704 5,707 1,709 7,711 16,728 3,729 1,731 40,733 18,734 2,735 28,737 43,738 19,739 14,740 7,741 5,742 3,746 4,747 6,752 1,761 17,762 2,766 2,773 1,774 1,775 2,777 1,778 1,780 1,781 15,782 6,783 3,784 6,790 1,794 0.5,795 5,811 2,812 2,815 2,823 1,831 1,832 1,840 2,844 2,848 25,853 3,856 1,870 12.5,872 3,875 2,877 13.167,878 7.883,879 5.361,880 2.174,881 4.271,882 1.557,883 0.948,884 3.65,885 11.937,886 3.664,887 4.379,888 5.067,889 5.746,890 6.315,891 6.75,892 7.216,893 7.71,894 8.04,895 8.458,896 1,897 43,898 9.234,900 4.112,901 7.993,902 17.049,904 14.188,905 2.493,906 62.333,909 1,910 141.253,911 106.552,912 16.786,914 148.557,917 106.552,918 289.81,919 16.786,920 19.708,922 56.857,923 130.807,924 54.237,925 10.285,926 141.253,928 141.253,929 123.337,930 148.557,933 141.253,934 148.557,937 25.611,938 88.25,939 9.476,941 141.253,942 165.343,943 106.552,946 141.253,947 29.986,948 76.566,950 165.343,951 141.253,952 165.343,953 106.552,955 0.599,956 0.365,957 0.206,958 0.111,959 23,960 11,961 0.047,962 2,963 2,964 1.222,965 3.584,966 221.736,967 0.222,968 18,969 114.096,974 15.903,975 5.738,976 2.533,977 0.35,978 165.343,979 8.045,982 5.61,984 1.96,986 128.05,987 413.148,988 38,995 1.663,996 4.5,997 1.558,999 40.924,1000 44.452,1001 0.291,1002 0.717,1003 0.856,1004 0.933,1005 0.955,1006 0.955,1007 4.934,1008 1.635,1009 5.866,1010 5.501,1011 4.443,1012 5.066,1013 1.487,1014 6.753,1015 4.381,1016 6.205,1017 1.243,1018 7.476,1019 4.824,1020 4.205,1021 5.075,1023 7.766,1024 4.111,1025 7.56,1026 0.823,1027 9.18,1028 3.431,1029 6.116,1030 7.405,1031 1.382,1032 10.909,1033 6.015,1034 8.951,1035 0.521,1036 10.938,1037 2.166,1038 6.661,1039 8.212,1041 12.747,1042 6.533,1043 10.372,1044 0.006,1045 12.73,1046 0.899,1047 8.093,1048 10.049,1049 1.294,1050 15.422,1051 7.961,1052 11.815,1053 -0.18,1054 14.548,1055 0.014,1056 8.994,1057 11.238,1059 17.613,1060 8.84,1061 13.276,1062 -0.352,1063 16.385,1064 -0.456,1065 10.253,1066 12.881,1067 1.219,1068 20.125,1069 10.093,1070 3.282,1071 -0.571,1072 18.238,1073 -0.9,1074 11.311,1075 14.253,1077 22.457,1078 11.132,1079 3.167,1080 11.444,1081 20.103,1082 -1.377,1083 12.509,1084 15.82,1085 1.156,1086 24.911,1087 12.32,1088 2.512,1089 10.96,1090 21.979,1091 4.685,1092 13.634,1093 17.276,1095 27.298,1096 13.427,1097 2.397,1098 7.732,1099 23.863,1100 4.209,1101 14.813,1102 18.816,1103 1.103,1104 29.731,1105 14.593,1106 2.068,1107 7.026,1108 25.754,1109 3.407,1110 15.966,1111 20.311,1113 32.14,1114 15.73,1115 1.965,1116 6.215,1117 27.651,1118 3.193,1119 17.14,1120 21.841,1121 1.058,1122 34.566,1123 16.889,1124 1.81,1125 5.995,1126 29.552,1127 2.825,1128 18.305,1129 23.355,1131 36.984,1132 18.038,1133 6435,1134 11499,1135 18.323,1136 27.608,1137 43.621,1138 43.545,1139 45.645,1140 42.89,1141 42.856,1142 58.117,1143 3.692,1144 132.414,1145 41.309,1146 5.443,1147 5.415,1148 6.431,1149 5.285,1150 5.282,1151 7.685,1152 1.972,1153 18.636,1154 5.228,1155 13.972,1156 1.558,1157 1.555,1158 1.63,1159 1.532,1160 1.531,1161 2.076,1162 0.132,1163 4.729,1164 1.475,1165 4.13,1166 4.13,1167 4.111,1168 4.032,1169 6.505,1170 4.049,1171 3.986,1172 4.001,1173 3.955,1174 3.908,1175 6.463,1176 3.917,1177 3.561,1178 3.588,1179 3.495,1180 3.448,1181 6.44,1182 3.453,1183 3.401,1184 3.422,1185 3.333,1186 3.224,1187 5.028,1188 3.244,1189 3.194,1190 3.273,1191 2.989,1192 2.932,1193 4.916,1194 2.933,1195 3.037,1196 3.072,1197 2.951,1198 2.872,1199 4.628,1200 2.867,1201 2.987,1202 3.015,1203 2.855,1204 2.787,1205 4.137,1206 2.811,1207 2.782,1208 2.862,1209 2.583,1210 2.627,1211 4.075,1212 2.605,1213 0.168,1214 0.122,1215 0.246,1216 0.152,1217 0.117,1218 4.715,1219 0.167,1220 3.415,1221 0.035,1222 6.883,1223 0.409,1224 4.266,1225 0.115,1226 3.282,1227 4.685,1228 0.986,1229 11.444,1230 3.228,1231 1.896,1232 1.89,1233 1.963,1234 1.994,1235 1.115,1236 1.977,1237 1.877,1238 1.864,1239 1.947,1240 1.961,1241 1.082,1242 1.96,1243 1.651,1244 1.627,1245 1.789,1246 1.797,1247 0.874,1248 1.791,1249 1.353,1250 1.322,1251 1.577,1252 1.585,1253 0.609,1254 1.572,1255 1.189,1256 1.124,1257 1.522,1258 1.49,1259 0.564,1260 1.505,1261 1.003,1262 0.964,1263 1.201,1264 1.234,1265 0.275,1266 1.214,1267 0.92,1268 0.9,1269 1.087,1270 1.167,1271 0.128,1272 1.139,1273 0.795,1274 0.743,1275 1.05,1276 1.072,1277 0.105,1278 1.043,1279 4.043,1281 5.416,1282 3.045,1283 6.976,1284 5.533,1285 8.625,1286 7.719,1287 10.322,1289 3.454,1294 29.932,1297 5.262,1305 27.283,1306 61.954,1307 152.738,1308 182.248,1309 198.612,1310 203.367,1311 203.367,1312 47.217,1313 7.667,1314 95.95,1315 95.95,1316 22,1317 12.775,1318 4.248,1319 3.459,1320 35.827,1321 84,1322 83,1323 0.215,1324 163.88,1325 286.31,1326 391.628,1327 21486,1329 17.715,1330 0.709,1331 0.543,1332 17.715,1333 13.569,1334 11.974,1335 0.428,1336 0.272,1337 7.479,1338 11.431,1339 7.265,1340 6.008,1341 11.974,1342 7.609,1343 11.37,1344 0.271,1345 0.138,1346 11.37,1347 5.791,1348 9.901,1349 0.168,1350 0.071,1351 9.901,1352 4.203,1353 8.834,1354 0.106,1355 0.036,1356 8.834,1357 2.997,1358 6.82,1359 0.066,1360 0.019,1361 6.82,1362 1.967,1363 0.329,1364 75.914,1365 0.234,1366 23.743,1367 0.617,1368 140,1369 455.565,1370 155.451,1371 433.486,1372 594.73,1373 404,1374 171,1375 446.726,1376 186.564,1377 450.348,1378 664.45,1379 423,1380 8.523}
{0 CHEMBL1088973,1 1.549,2 17.711,3 4.157,4 17.278,5 172.389,6 7.114,7 0.346,8 4.575,9 4.706,10 4.124,11 4.049,12 5.544,13 4.042,14 5.196,15 5.387,16 4.524,17 4.5,18 6.142,19 4.466,20 5.489,21 5.721,22 4.569,23 4.691,24 6.341,25 4.611,26 5.537,27 5.801,28 4.475,29 4.635,30 6.411,31 4.528,32 5.421,33 5.692,34 4.462,35 4.531,36 6.391,37 4.462,38 5.247,39 5.455,40 4.488,41 4.523,42 6.198,43 4.474,44 5.327,45 5.536,46 4.514,47 4.641,48 6.248,49 4.572,50 5.497,51 5.707,52 4.521,53 4.792,54 6.363,55 4.663,56 0.022,57 1.38,58 19.475,59 7.307,60 9.592,61 10.536,62 0.657,63 2.301,64 39.878,65 12.75,66 48.28,67 18.592,68 0.673,69 2.836,70 55.081,71 16.92,72 50.679,73 25.918,74 0.62,75 2.795,76 59.448,77 18.07,78 67.013,79 28.146,80 0.922,81 2.521,82 53.849,83 14.097,84 95.544,85 22.943,86 0.397,87 2.381,88 41.959,89 13.128,90 45.069,91 19.98,92 0.761,93 2.572,94 45.518,95 14.556,96 52.573,97 21.889,98 0.398,99 2.852,100 53.071,101 22.45,102 59.873,103 31.242,104 5,105 75,106 0.232,107 0.516,108 0.668,109 0.71,110 0.73,111 0.734,112 3.832,113 0.939,114 -4.63,115 -4.55,116 -4.28,119 38.4,121 4,124 1,125 8,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 8,174 7,175 8,178 2,179 1,180 4,183 6,186 3,187 10,192 4,195 4,198 3,199 19,204 5,211 4,212 12,215 1,217 4,224 17,227 2,229 1,232 8,236 5,237 2,240 1,245 16,249 2,250 4,253 6,258 18,263 10,271 2,275 4772,276 31.22,277 31.22,278 31.22,279 31.22,280 31.22,281 29.059,282 51.064,283 18.16,284 32.148,285 25.738,286 25.738,287 25.738,288 25.738,289 25.738,290 22.36,291 81.795,292 8.682,293 27.291,294 4.877,295 2.975,296 1.957,297 1.677,298 1.544,299 1.52,300 4.564,306 1838,307 3.536,310 228.768,311 939.742,312 313.005,318 2.823,319 38.469,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 97.5,331 797,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.704,347 0.86,348 11.103,349 2.926,350 4.164,351 3.403,352 6.17,353 3.843,354 2.892,355 3.621,356 0.86,357 9.179,358 2.777,359 4.138,360 3.136,361 6.148,362 3.824,363 2.859,364 3.257,365 0.8,366 9.075,367 2.739,368 3.887,369 2.889,370 5.57,371 3.592,372 2.638,373 3.154,374 0.8,375 7.637,376 2.506,377 3.727,378 2.663,379 5.43,380 3.402,381 2.448,382 2.991,383 0.8,384 7.065,385 2.329,386 3.532,387 2.556,388 5.302,389 3.233,390 2.296,391 2.731,392 0.8,393 6.764,394 2.149,395 3.377,396 2.445,397 5.086,398 3.142,399 2.202,400 2.515,401 0.247,402 6.08,403 2.062,404 3.251,405 2.323,406 5.086,407 2.863,408 1.924,409 2.349,411 5.839,412 1.837,413 3.158,414 2.276,415 5.066,416 2.851,417 1.879,418 2.302,420 5.839,421 1.822,422 2.879,423 2.016,424 5.039,425 2.851,426 1.879,427 1.879,428 5.786,429 1.822,430 2.879,431 2.016,432 4.666,433 2.839,434 1.875,435 1.879,436 5.062,437 1.759,438 2.768,439 1.933,440 4.318,441 2.365,442 1.419,443 1.872,445 3.988,446 1.339,447 2.61,448 1.737,449 4.257,450 2.281,451 1.36,452 1.621,454 3.816,455 1.254,456 2.5,457 1.631,458 3.899,459 2.167,460 1.293,461 1.5,463 2.894,464 1.12,465 21.1,466 0.469,467 1.033,468 0.023,469 54.75,470 1.217,471 22,472 0.489,473 32.75,474 0.728,475 47.281,476 1.051,477 49.7,478 0.578,479 45.693,480 1.015,481 10.136,482 0.225,483 11.933,484 0.265,485 0.039,487 0.36,493 0.878,494 1.639,495 0.8,496 1.259,497 0.632,498 1.049,499 1.104,500 1.067,501 0.967,502 0.964,503 0.644,504 0.95,505 1.061,506 1.115,507 1.054,508 1.034,509 0.843,510 1.033,511 0.93,512 1.163,513 0.949,514 1.055,515 0.862,516 1.013,517 1.088,518 0.805,519 0.892,520 0.665,521 1.432,522 0.715,523 1.068,524 1.264,525 0.992,526 1.07,527 1.228,528 1.017,529 0.973,530 0.877,531 1.148,532 0.935,533 0.812,534 1.024,535 0.482,536 1.143,537 1.071,538 1.432,539 0.62,540 1.368,541 8.5,542 0.189,543 4.889,544 2.688,545 1.402,546 1.583,547 1.205,548 0.672,549 0.376,550 0.456,551 44514,552 94874,553 2.24,554 47.7,556 31,559 2,561 8,564 1.824,565 2.16,566 3.948,567 0.137,573 133.25,574 1.549,575 3.451,576 4.47,577 4.749,578 4.883,579 4.906,580 3.399,581 4.336,582 5.46,583 4.265,584 4221.87,585 9.659,586 83032.9,591 552.659,592 1.172,593 5.45,594 0.163,595 0.005,596 0.065,597 0.035,598 0.021,599 0.023,600 0.017,601 0.009,602 0.005,603 0.009,604 0.353,605 0.17,606 0.63,607 0.322,608 266.587,609 -0.027,610 -0.353,611 0.096,612 -0.134,613 0.011,614 -0.02,615 0.047,616 0.102,617 0.006,618 0.044,619 0.12,620 0.013,621 -0.084,622 -0.043,623 -0.08,624 -0.043,625 -0.026,626 -0.055,627 -0.014,628 -0.184,629 0.038,630 -0.078,631 0.046,632 -0.025,633 -0.022,634 0.214,635 0.125,636 0.248,637 -0.035,638 0.223,639 -0.104,640 -0.123,641 -0.033,642 -0.059,643 -0.101,644 -0.038,645 -0.064,646 0.299,647 -0.198,648 0.073,649 -0.081,650 -0.049,651 0.152,652 -0.094,653 -0.167,654 -0.303,655 0.102,656 -0.291,657 1.953,658 5.831,659 0.889,660 64.849,661 1,662 1.137,663 3.403,664 11.579,665 0.646,666 3.97,667 4.331,668 4.654,669 4.977,670 5.231,671 5.375,672 5.549,673 5.746,674 5.932,675 6.116,676 10.237,677 0.614,678 611.83,679 3.97,680 5.541,681 6.418,682 7.317,683 8.205,684 9.108,685 10.004,686 10.91,687 11.809,688 12.718,689 10.5,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 86,733 19,734 2,735 52,737 93,738 33,739 15,740 4,741 8,746 8,747 10,751 1,755 8,758 8,761 16,762 17,766 1,771 1,775 1,781 41,782 12,783 2,784 12,790 9,794 0.75,795 3,808 2,811 2,812 6,813 2,836 1,839 2,840 6,844 1,848 45,854 12,855 2,856 2,858 4,859 4,870 3.5,873 1,874 2,877 20.833,878 15.4,879 9.556,880 5.449,881 3.395,882 1.355,883 1.007,884 8.16,885 12.958,886 4.143,887 4.677,888 5.194,889 5.75,890 6.281,891 6.57,892 7.012,893 7.416,894 7.747,895 8.128,896 1,897 76,898 16.773,900 7.382,901 7.515,902 33.095,904 28.889,905 2.015,906 90.667,910 459.073,911 142.995,912 98.875,914 47.145,917 142.995,918 506.218,919 98.875,920 8.396,921 72.952,922 75.81,923 97.501,924 26.281,925 8.074,926 459.073,928 459.073,929 241.87,930 47.145,933 367.232,934 119.314,935 22,937 79.874,938 109.311,939 50.357,941 459.073,942 146.02,943 142.995,946 459.073,947 58.788,948 96.704,949 36.022,950 97.501,951 459.073,952 146.02,953 142.995,955 0.589,956 0.348,957 0.195,958 0.106,959 40,960 16,961 0.065,962 6,963 4,964 1.15,965 5.544,966 495.279,967 0.2,968 38,969 203.133,974 29.248,975 12.555,976 6.056,978 146.02,979 15.754,980 15.087,984 5.61,986 36.022,987 748.088,988 62,993 12.831,997 -0.287,999 86.036,1000 97.756,1001 0.241,1002 0.537,1003 0.696,1004 0.739,1005 0.76,1006 0.763,1007 5.432,1008 2.202,1009 6.405,1010 6.764,1011 5.017,1012 5.366,1013 2.534,1014 7.238,1015 4.904,1016 6.593,1017 1.924,1018 7.97,1019 6.08,1020 4.575,1021 5.047,1022 1.577,1023 8.152,1024 4.403,1025 7.881,1026 1.879,1027 9.632,1028 5.839,1029 6.632,1030 7.394,1031 2.723,1032 11.277,1033 6.401,1034 9.196,1035 1.879,1036 11.353,1037 5.839,1038 7.022,1039 7.872,1040 2.438,1041 13.061,1042 6.724,1043 10.544,1044 1.875,1045 13.113,1046 5.786,1047 8.527,1048 9.719,1049 3.344,1050 15.698,1051 8.172,1052 11.913,1053 1.419,1054 14.902,1055 5.062,1056 9.312,1057 10.577,1058 3.434,1059 17.853,1060 8.883,1061 13.3,1062 1.36,1063 16.713,1064 3.988,1065 10.592,1066 12.205,1067 4.184,1068 20.332,1069 10.104,1070 3.259,1071 1.293,1072 18.542,1073 3.816,1074 11.569,1075 13.27,1076 4.471,1077 22.641,1078 11.003,1079 3.133,1080 11.434,1081 20.384,1082 2.894,1083 12.759,1084 14.785,1085 5.119,1086 25.071,1087 12.13,1088 2.892,1089 11.103,1090 22.239,1091 4.064,1092 13.826,1093 15.972,1094 5.505,1095 27.443,1096 13.119,1097 2.859,1098 9.179,1099 24.102,1100 3.704,1101 14.984,1102 17.425,1103 6.093,1104 29.861,1105 14.209,1106 2.638,1107 9.075,1108 25.974,1109 3.621,1110 16.094,1111 18.687,1112 6.531,1113 32.26,1114 15.241,1115 2.448,1116 7.637,1117 27.853,1118 3.257,1119 17.243,1120 20.106,1121 7.084,1122 34.677,1123 16.318,1124 2.296,1125 7.065,1126 29.737,1127 3.154,1128 18.375,1129 21.415,1130 7.551,1131 37.088,1132 17.371,1133 39456,1134 57855,1135 36.293,1136 55.597,1137 79.456,1138 80.184,1139 80.611,1140 78.869,1141 78.836,1142 93.065,1143 13.646,1144 232.2,1145 74.44,1146 5.458,1147 5.562,1148 6.367,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 13.891,1156 1.528,1157 1.542,1158 1.55,1159 1.517,1160 1.516,1161 1.79,1162 0.262,1163 4.465,1164 1.432,1165 4.068,1166 4.119,1167 4.015,1168 3.925,1169 7.431,1170 3.937,1171 3.957,1172 4.006,1173 3.895,1174 3.845,1175 5.08,1176 3.85,1177 3.914,1178 3.965,1179 3.827,1180 3.789,1181 4.766,1182 3.794,1183 3.897,1184 3.935,1185 3.814,1186 3.754,1187 4.701,1188 3.76,1189 3.745,1190 3.811,1191 3.635,1192 3.559,1193 4.639,1194 3.566,1195 3.612,1196 3.671,1197 3.562,1198 3.394,1199 4.609,1200 3.434,1201 3.396,1202 3.447,1203 3.341,1204 3.118,1205 4.355,1206 3.17,1207 3.174,1208 3.272,1209 3.012,1210 2.951,1211 4.088,1212 2.93,1213 0.086,1214 0.069,1215 0.132,1216 0.08,1217 0.063,1218 4.458,1219 0.078,1220 3.562,1221 0.032,1222 6.853,1223 0.22,1224 4.184,1225 0.058,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.935,1232 1.904,1233 2.048,1234 2.075,1235 1.304,1236 2.068,1237 1.914,1238 1.879,1239 2.014,1240 2.058,1241 1.255,1242 2.042,1243 1.737,1244 1.685,1245 1.909,1246 1.952,1247 1.255,1248 1.936,1249 1.707,1250 1.638,1251 1.875,1252 1.896,1253 1.208,1254 1.902,1255 1.648,1256 1.599,1257 1.86,1258 1.886,1259 1.187,1260 1.872,1261 1.604,1262 1.543,1263 1.86,1264 1.76,1265 1.1,1266 1.798,1267 1.604,1268 1.543,1269 1.839,1270 1.76,1271 1.049,1272 1.798,1273 1.437,1274 1.386,1275 1.546,1276 1.695,1277 0.825,1278 1.658,1279 4.654,1281 6.004,1282 3.045,1283 7.546,1284 5.533,1285 9.174,1286 7.678,1287 10.848,1289 2.153,1295 11.318,1296 5.903,1297 11.694,1299 1.172,1300 9.433,1305 52.766,1306 133.25,1307 296.814,1308 384.394,1309 408.394,1310 419.904,1311 421.904,1312 68.143,1313 9.563,1314 111.22,1315 111.22,1316 46,1317 13.236,1318 4.322,1319 3.459,1320 57.852,1321 276,1322 335,1323 0.098,1324 312.034,1325 546.85,1326 753.123,1327 247510,1329 30.329,1330 0.674,1331 0.573,1332 30.329,1333 25.769,1334 22.069,1335 0.424,1336 0.313,1337 15.99,1338 21.039,1339 15.724,1340 12.837,1341 22.069,1342 16.275,1343 20.357,1344 0.271,1345 0.172,1346 20.357,1347 12.912,1348 17.847,1349 0.172,1350 0.096,1351 17.847,1352 9.949,1353 15.818,1354 0.11,1355 0.052,1356 15.818,1357 7.44,1358 13.103,1359 0.07,1360 0.028,1361 13.103,1362 5.144,1363 0.16,1364 139.303,1365 0.166,1366 40.066,1367 0.255,1368 254,1369 665.388,1370 283.119,1371 632.413,1372 886.01,1373 600,1374 306,1375 668.487,1376 337.23,1377 671.061,1378 999.15,1379 633,1380 6.046}
{0 CHEMBL1089082,1 1.715,2 13.206,3 4.816,4 23.192,5 120.304,6 9.189,7 0.737,8 4.055,9 4.156,10 3.791,11 3.647,12 5.327,13 3.669,14 4.553,15 4.676,16 4.23,17 4.017,18 6.231,19 4.037,20 4.741,21 4.908,22 4.212,23 4.118,24 6.049,25 4.114,26 4.812,27 4.997,28 4.182,29 4.079,30 6.151,31 4.082,32 4.774,33 4.962,34 4.162,35 4.04,36 6.103,37 4.044,38 4.733,39 4.916,40 4.132,41 4.012,42 6.313,43 3.999,44 4.639,45 4.831,46 3.946,47 3.991,48 5.845,49 3.941,50 4.606,51 4.792,52 3.933,53 3.923,54 5.907,55 3.882,56 0.178,57 0.971,58 5.715,59 4.092,60 24.33,61 4.105,62 0.847,63 1.911,64 11.682,65 6.704,66 133.393,67 6.618,68 0.502,69 1.747,70 16.792,71 8.414,72 48.721,73 9.15,74 0.77,75 1.882,76 21.593,77 9.281,78 99.649,79 9.49,80 0.72,81 1.765,82 20.911,83 8.782,84 93.334,85 9.275,86 1.113,87 1.672,88 19.961,89 8.041,90 158.321,91 8.595,92 0.567,93 1.477,94 17.836,95 8.378,96 69.564,97 9.661,98 0.456,99 1.455,100 16.694,101 8.344,102 49.8,103 9.815,104 18,105 55,106 0.281,107 0.538,108 0.717,109 0.86,110 0.882,111 0.882,112 3.561,113 0.807,114 -5.49,115 -5.36,116 -5.01,119 50,132 1,142 12,143 4,144 1,145 3,146 1,152 1,158 1,161 1,166 1,172 12,174 1,175 10,178 1,180 3,183 13,186 1,187 10,192 4,195 9,199 11,204 3,207 5,211 1,212 10,215 1,217 2,220 11,223 1,224 3,227 1,232 16,236 2,237 3,240 1,242 1,245 15,249 1,250 5,255 1,258 9,262 1,263 8,268 2,271 6,275 2090,276 22.85,277 22.85,278 22.85,279 22.85,280 22.85,281 19.595,282 11.975,283 13.367,284 23.367,285 18.816,286 18.816,287 18.816,288 18.816,289 18.816,290 13.875,291 14.846,292 6.382,293 19.716,294 3.929,295 2.358,296 1.266,297 0.39,298 0.255,299 0.255,300 4.266,304 1,305 1,306 985,307 3.808,310 72.371,311 419.287,314 137.684,318 2.112,319 49.59,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 76,331 449,332 4.636,333 4.461,334 7.118,335 4.191,336 3.324,337 4.581,338 3.825,339 11.699,340 3.07,341 4.47,342 3.571,343 6.736,344 4.158,345 3.201,346 3.934,347 1.058,348 11.033,349 2.965,350 4.195,351 3.2,352 6.156,353 3.83,354 2.848,355 3.795,357 9.123,358 2.78,359 4.073,360 2.815,361 6.052,362 3.737,363 2.752,364 3.56,366 8.708,367 2.653,368 3.921,369 2.563,370 5.739,371 3.474,372 2.5,373 3.326,375 7.776,376 2.425,377 3.56,378 2.322,379 5.28,380 3.146,381 2.179,382 2.956,384 6.641,385 2.101,386 3.238,387 2.204,388 4.68,389 2.755,390 1.794,391 2.56,393 4.94,394 1.696,395 3.185,396 1.754,397 4.563,398 2.681,399 1.737,400 2.398,402 4.406,403 1.631,404 2.96,405 1.607,406 4.399,407 2.456,408 1.494,409 2.166,411 4.324,412 1.432,413 2.896,414 1.526,415 4.025,416 2.381,417 1.422,418 2.076,420 3.338,421 1.36,422 2.642,423 1.427,424 3.915,425 2.159,426 1.176,427 1.702,428 3.039,429 1.151,430 2.595,431 1.153,432 3.494,433 2.115,434 1.131,435 1.619,436 2.573,437 1.097,438 2.526,439 1.149,440 3.479,441 2.014,442 1,443 1.5,445 2.501,446 1.009,447 2.5,448 1,449 3.461,450 1.984,451 1,452 1.5,454 2.402,455 0.983,456 2.5,457 1,458 3.253,459 1.948,460 1,461 1.477,463 2.136,464 0.946,465 15.69,466 0.461,467 0.963,468 0.028,469 50.25,470 1.478,471 28,472 0.824,473 22.25,474 0.654,475 23.566,476 0.693,477 34.71,478 0.694,479 42.711,480 1.256,481 10.288,482 0.303,483 6.093,484 0.179,485 0.076,486 0.032,487 0.312,490 3,493 0.557,494 0.909,495 0.575,496 0.905,497 0.573,498 0.799,499 0.452,500 0.835,501 0.694,502 0.969,503 0.4,504 0.943,505 0.692,506 0.927,507 0.865,508 1.049,509 0.583,510 1.03,511 1.115,512 1.02,513 1.076,514 0.998,515 1.061,516 1.003,517 0.98,518 0.913,519 0.977,520 0.939,521 0.946,522 0.942,523 0.683,524 0.634,525 1.016,526 0.807,527 0.663,528 0.961,529 0.644,530 0.725,531 0.996,532 0.975,533 0.661,534 1.085,535 0.622,536 0.944,537 0.906,538 1.196,539 0.62,540 1.193,541 7.5,542 0.226,543 4,544 2.319,545 1.752,546 1.379,547 0.571,548 0.496,549 0.319,550 0.266,551 17789,552 62189,553 2.12,554 32,556 12,558 3,559 1,564 1.759,565 1.99,566 3.689,567 -0.334,573 85.732,574 1.715,575 3.286,576 4.378,577 5.254,578 5.389,579 5.389,580 3.136,581 4.712,582 5.06,583 3.873,584 2172.77,585 8.867,586 33383.4,591 282.193,592 1.501,593 5.017,594 0.197,595 0.007,596 0.073,597 0.042,598 0.034,599 0.027,600 0.012,601 0.012,602 0.008,603 0.007,604 0.419,605 0.17,606 0.75,607 0.662,608 182.959,609 -0.016,610 -0.043,611 0.029,612 -0.011,613 -0.093,614 0.014,615 0.374,616 0.174,617 0.037,618 -0.054,619 0.384,620 -0.119,621 -0.049,622 -0.132,623 -0.028,624 -0.126,625 0.015,626 -0.085,627 -0.181,628 -0.091,629 -0.112,630 -0.034,631 -0.128,632 -0.032,633 -0.122,634 -0.06,635 -0.017,636 0.007,637 -0.092,638 0.032,639 0.219,640 0.25,641 -0.069,642 0.128,643 0.23,644 -0.015,645 0.002,646 0.051,647 -0.072,649 -0.044,650 -0.047,651 0.045,652 -0.182,653 0.037,654 -0.203,655 0.052,656 -0.133,657 5.776,658 5.603,659 0.794,660 37.142,661 1.031,662 1.133,663 4.258,664 18.128,665 0.713,666 3.664,667 4.025,668 4.29,669 4.564,670 4.82,671 4.913,672 5.081,673 5.209,674 5.303,675 5.429,676 7.813,677 0.713,678 459.46,679 3.664,680 5.231,681 6.089,682 6.984,683 7.861,684 8.758,685 9.642,686 10.541,687 11.43,688 12.329,689 10,696 1,697 1,699 3,703 1,704 15,705 3,709 7,711 28,718 1,731 50,733 29,734 2,735 38,737 54,738 25,739 23,740 4,741 8,742 1,746 5,747 6,752 1,757 1,761 24,762 1,766 1,771 1,775 1,779 3,781 16,782 8,783 1,784 9,790 5,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,840 4,846 3,848 34,855 1,860 1,869 3,870 2,873 1,877 17.083,878 9.145,879 7.222,880 2.825,881 5.349,882 1.63,883 1.045,884 5.507,885 13.841,886 3.989,887 4.642,888 5.272,889 5.908,890 6.497,891 6.843,892 7.351,893 7.809,894 8.195,895 8.631,896 0.889,897 55,898 13.026,900 6.163,901 8.169,902 22.983,904 18.957,905 2.669,906 90.75,909 1,910 176.567,911 176.049,912 69.409,914 25.145,915 44.88,917 176.049,918 201.711,919 114.289,921 18.011,922 113.715,923 117.112,924 91.442,925 2.757,926 141.253,927 7.76,928 176.567,929 245.458,930 70.025,933 176.567,934 70.025,937 58.549,938 136.675,939 50.234,941 221.447,942 94.554,943 176.049,946 184.326,947 27.433,948 142.021,949 18.011,950 120.259,951 176.567,952 139.434,953 176.049,955 0.592,956 0.339,957 0.181,958 0.102,959 28,960 12,961 0.074,962 4,963 1,964 1.074,965 4.47,966 327.379,967 0.074,968 27,969 164.219,974 21.665,975 8.643,976 4.517,977 0.641,978 138.27,979 23.688,980 13.059,984 2.591,986 18.011,987 492.05,988 53,993 12.603,997 -0.637,999 51.56,1000 56.626,1001 0.304,1002 0.582,1003 0.776,1004 0.931,1005 0.955,1006 0.955,1007 5.231,1008 1.737,1009 6.107,1010 4.94,1011 4.71,1012 5.33,1013 3.139,1014 6.959,1015 4.623,1016 6.472,1017 1.494,1018 7.696,1019 4.406,1020 4.443,1021 5.147,1022 3.903,1023 8.072,1024 4.224,1025 7.798,1026 1.422,1027 9.394,1028 4.324,1029 6.382,1030 7.584,1031 5.431,1032 11.117,1033 6.189,1034 9.163,1035 1.176,1036 11.16,1037 3.338,1038 6.929,1039 8.22,1040 6.69,1041 13.038,1042 6.597,1043 10.558,1044 1.131,1045 12.968,1046 3.039,1047 8.376,1048 10.13,1049 8.059,1050 15.649,1051 8.045,1052 11.977,1053 1,1054 14.805,1055 2.573,1056 9.272,1057 11.174,1058 9.388,1059 17.874,1060 8.816,1061 13.413,1062 1,1063 16.663,1064 2.501,1065 10.537,1066 12.85,1067 10.734,1068 20.355,1069 10.051,1070 3.324,1071 1,1072 18.537,1073 2.402,1074 11.587,1075 14.11,1076 12.074,1077 22.702,1078 10.991,1079 3.201,1080 11.699,1081 20.423,1082 2.136,1083 12.786,1084 15.679,1085 13.416,1086 25.145,1087 12.136,1088 2.848,1089 11.033,1090 22.318,1091 4.581,1092 13.904,1093 17.056,1094 14.758,1095 27.543,1096 13.155,1097 2.752,1098 9.123,1099 24.221,1100 3.934,1101 15.081,1102 18.58,1103 16.1,1104 29.978,1105 14.265,1106 2.5,1107 8.708,1108 26.131,1109 3.795,1110 16.23,1111 20.019,1112 17.441,1113 32.398,1114 15.322,1115 2.179,1116 7.776,1117 28.046,1118 3.56,1119 17.404,1120 21.528,1121 18.783,1122 34.834,1123 16.419,1124 1.794,1125 6.641,1126 29.966,1127 3.326,1128 18.569,1129 23,1130 20.124,1131 37.265,1132 17.495,1133 16611,1134 31292,1135 25.542,1136 35.625,1137 59.075,1138 58.984,1139 58.56,1140 58.298,1141 58.054,1142 79.695,1143 9.767,1144 171.865,1145 55.51,1146 5.471,1147 6.461,1148 6.92,1149 5.262,1150 5.324,1151 7.581,1152 5.335,1153 18.933,1154 5.07,1155 15.905,1156 1.555,1157 1.552,1158 1.541,1159 1.534,1160 1.528,1161 2.097,1162 0.257,1163 4.523,1164 1.461,1165 4.146,1166 4.193,1167 4.123,1168 4.006,1169 8.513,1170 4.027,1171 3.963,1172 3.988,1173 3.926,1174 3.876,1175 7.999,1176 3.882,1177 3.872,1178 3.903,1179 3.82,1180 3.803,1181 7.999,1182 3.803,1183 3.77,1184 3.816,1185 3.714,1186 3.639,1187 7.429,1188 3.653,1189 3.417,1190 3.447,1191 3.423,1192 3.203,1193 5.14,1194 3.225,1195 3.297,1196 3.349,1197 3.229,1198 3.138,1199 4.875,1200 3.166,1201 3.199,1202 3.25,1203 3.144,1204 2.94,1205 4.727,1206 2.976,1207 2.92,1208 2.981,1209 2.848,1210 2.772,1211 4.651,1212 2.778,1213 0.122,1214 0.117,1215 0.187,1216 0.11,1217 0.087,1218 4.636,1219 0.121,1220 4.461,1221 0.101,1222 7.118,1223 0.308,1224 4.191,1225 0.081,1226 3.324,1227 4.581,1228 3.825,1229 11.699,1230 3.07,1231 1.976,1232 1.947,1233 2.056,1234 2.103,1235 1.167,1236 2.085,1237 1.91,1238 1.888,1239 1.999,1240 2.014,1241 1.106,1242 2.005,1243 1.854,1244 1.822,1245 1.953,1246 1.967,1247 1.013,1248 1.966,1249 1.714,1250 1.669,1251 1.811,1252 1.873,1253 0.859,1254 1.862,1255 1.299,1256 1.257,1257 1.424,1258 1.528,1259 0.485,1260 1.469,1261 1.23,1262 1.202,1263 1.342,1264 1.463,1265 0.351,1266 1.432,1267 1.051,1268 1.005,1269 1.204,1270 1.355,1271 0.258,1272 1.296,1273 0.918,1274 0.844,1275 1.181,1276 1.168,1277 0.218,1278 1.16,1279 4.344,1281 5.694,1282 2.398,1283 7.233,1284 4.727,1285 8.854,1286 6.862,1287 10.516,1291 38.965,1296 2.668,1301 -4.526,1305 35.659,1306 85.732,1307 164.305,1308 218.909,1309 262.683,1310 269.438,1311 269.438,1312 66.961,1313 8.492,1314 72.18,1315 72.18,1316 29,1317 12.854,1318 4.907,1319 4,1320 50.099,1321 160,1322 152,1323 0.151,1324 214.191,1325 369.8,1326 514.385,1327 68467,1328 6,1329 23.709,1330 0.697,1331 0.514,1332 21.209,1333 17.491,1334 16.381,1335 0.431,1336 0.269,1337 10.051,1338 15.66,1339 9.923,1340 8.17,1341 15.17,1342 10.226,1343 15.644,1344 0.284,1345 0.136,1346 13.686,1347 7.479,1348 12.643,1349 0.176,1350 0.072,1351 11.68,1352 5.202,1353 10.649,1354 0.112,1355 0.038,1356 10.115,1357 3.574,1358 8.873,1359 0.072,1360 0.02,1361 8.346,1362 2.401,1363 0.24,1364 103.422,1365 0.198,1366 31.548,1367 0.406,1368 186,1369 736.982,1370 215.251,1371 639.389,1372 853.6,1373 594,1374 220,1375 619.338,1376 243.766,1377 608.794,1378 910.31,1379 573,1380 4.301}
{0 CHEMBL1089140,1 1.563,2 11.645,3 1.874,4 3.512,5 119.446,6 7.06,7 0.471,8 4.194,9 4.335,10 3.721,11 3.631,12 5.237,13 3.625,14 4.759,15 4.972,16 4.06,17 4.018,18 5.765,19 3.992,20 4.946,21 5.164,22 4.103,23 4.178,24 5.917,25 4.113,26 5.047,27 5.306,28 4.089,29 4.2,30 5.982,31 4.115,32 4.991,33 5.237,34 4.122,35 4.206,36 5.933,37 4.138,38 4.97,39 5.175,40 4.127,41 4.262,42 5.933,43 4.185,44 5.074,45 5.319,46 4.003,47 4.26,48 5.947,49 4.138,50 5.024,51 5.288,52 3.892,53 4.156,54 5.878,55 4.005,56 0.027,57 0.94,58 13.543,59 4.635,60 8.582,61 7.064,62 0.512,63 1.438,64 26.491,65 7.366,66 34.439,67 11.512,68 0.391,69 1.677,70 31.699,71 9.619,72 37.941,73 14.981,74 0.451,75 1.755,76 36.097,77 10.466,78 52.243,79 16.786,80 0.433,81 1.717,82 33.748,83 9.997,84 44.21,85 15.871,86 0.308,87 1.782,88 31.63,89 10.563,90 34.308,91 15.963,92 0.488,93 1.786,94 36.471,95 11.854,96 41.428,97 18.173,98 0.376,99 1.599,100 35.045,101 12.581,102 47.718,103 18.85,104 29,105 47,106 0.253,107 0.584,108 0.735,109 0.811,110 0.811,111 0.811,112 3.472,113 0.925,114 -3.68,115 -3.65,116 -3.48,119 36.7,124 3,125 6,142 5,143 2,144 1,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 7,178 2,179 1,180 2,183 4,186 2,187 7,192 2,195 2,198 3,199 8,204 3,207 1,211 2,212 9,217 2,220 3,224 6,227 2,229 1,232 4,236 4,237 2,245 2,249 2,250 4,253 4,255 1,263 4,268 1,275 1736,276 21.093,277 21.093,278 21.093,279 21.093,280 21.093,281 19.18,282 26.65,283 12.548,284 21.806,285 16.751,286 16.751,287 16.751,288 16.751,289 16.751,290 13.658,291 33.192,292 5.945,293 17.819,294 4.344,295 2.302,296 1.369,297 0.904,298 0.904,299 0.904,300 4.169,304 1,305 1,306 770,307 3.742,310 73.609,311 268.079,314 130.602,318 1.744,319 23.47,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 67.5,331 361,332 4.674,333 3.54,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.398,340 3.085,341 4.171,342 3.349,343 6.112,344 3.773,345 2.797,346 3.792,347 0.86,348 8.949,349 2.731,350 3.913,351 2.917,352 6.099,353 3.594,354 2.68,355 3.311,356 0.8,357 8.833,358 2.448,359 3.813,360 2.801,361 5.465,362 3.483,363 2.521,364 3.151,365 0.8,366 7.316,367 2.415,368 3.456,369 2.566,370 5.143,371 3.14,372 2.22,373 2.689,374 0.247,375 5.94,376 2.041,377 3.269,378 2.418,379 4.781,380 3.035,381 2.055,382 2.33,384 5.326,385 2,386 3.109,387 2.31,388 4.651,389 2.867,390 1.942,391 2.166,393 5.07,394 1.786,395 2.961,396 1.894,397 4.419,398 2.448,399 1.503,400 2.147,402 4.264,403 1.421,404 2.729,405 1.535,406 4.332,407 2.381,408 1.472,409 1.8,411 3.881,412 1.325,413 2.5,414 1.322,415 3.761,416 2.08,417 1.165,418 1.5,420 2.907,421 1.06,422 2.472,423 1.256,424 3.432,425 2,426 1,427 1.465,428 2.275,429 1,430 2.111,431 1.1,432 3.414,433 1.952,434 1,435 1.042,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.791,442 0.851,443 1,445 2.102,446 0.796,447 1.606,448 0.953,449 2.997,450 1.39,451 0.448,452 0.502,454 1.041,455 0.42,456 1.514,457 0.559,458 2.872,459 1.319,460 0.386,461 0.419,463 0.611,464 0.358,465 14.467,466 0.467,467 0.712,468 0.023,469 38.5,470 1.242,471 16.5,472 0.532,473 22,474 0.71,475 26.935,476 0.869,477 34.733,478 0.579,479 31.372,480 1.012,481 7.885,482 0.254,483 7.161,484 0.231,485 0.127,487 0.325,493 0.899,494 1.756,495 0.83,496 1.322,497 0.647,498 1.095,499 1.16,500 0.903,501 0.924,502 0.76,503 0.637,504 0.789,505 1.081,506 1.235,507 1.022,508 1.075,509 0.941,510 1.046,511 0.896,512 1.019,513 0.907,514 0.919,515 1.019,516 0.906,517 0.919,518 0.969,519 0.88,520 0.848,521 0.882,522 0.843,523 0.948,524 1.226,525 1.137,526 1.229,527 0.841,528 1.208,529 0.798,530 1.025,531 1.146,532 1.171,533 0.621,534 1.2,535 0.395,536 1.109,537 0.885,538 1.256,539 0.375,540 1.177,541 6,542 0.236,543 3.333,544 1.507,545 1.498,546 1.427,547 0.796,548 0.344,549 0.403,550 0.274,551 12229,552 30773,553 2.084,554 48.3,556 26,557 1,559 2,564 1.742,565 1.958,566 3.471,567 0.257,569 1,573 93.773,574 1.563,575 3.605,576 4.538,577 5.002,578 5.002,579 5.002,580 2.946,581 4.567,582 4.915,583 3.662,584 1703,585 8.625,586 24063.8,588 1,591 354.413,592 1.383,593 4.888,594 0.176,595 0.009,596 0.071,597 0.031,598 0.032,599 0.029,600 0.016,601 0.008,602 0.011,603 0.009,604 0.392,605 0.33,606 1,607 1.306,608 160.161,609 -0.042,610 -0.444,611 0.076,612 -0.189,613 -0.033,614 -0.059,615 0.009,616 0.254,617 0.066,618 0.215,619 0.102,620 0.158,621 -0.089,622 -0.134,623 -0.059,624 -0.049,625 -0.035,626 -0.054,627 -0.028,628 0.01,629 0.065,630 0.06,631 -0.032,632 0.075,633 -0.044,634 0.098,635 0.085,636 0.152,637 -0.007,638 0.146,639 -0.121,640 -0.064,641 -0.208,642 -0.163,643 -0.11,644 -0.193,645 -0.009,646 0.031,647 -0.201,648 -0.144,649 -0.078,650 -0.192,651 0.26,652 -0.159,653 0.051,654 -0.195,655 0.208,656 -0.126,657 1.918,658 4.551,659 0.677,660 35.935,661 1.001,662 1.141,663 2.454,664 6.025,665 0.639,666 3.555,667 3.871,668 4.143,669 4.431,670 4.718,671 4.883,672 5.106,673 5.288,674 5.389,675 5.497,676 6.877,677 0.606,678 423.58,679 3.555,680 5.094,681 5.943,682 6.823,683 7.7,684 8.594,685 9.485,686 10.387,687 11.288,688 12.195,689 11.7,692 1,695 1,696 2,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,726 1,731 60,733 17,734 1,735 34,737 63,738 22,739 12,740 2,741 4,746 4,747 5,751 1,761 13,762 9,766 1,771 1,775 1,778 1,781 29,782 8,783 2,784 9,790 7,794 0.75,795 2,806 1,807 1,811 1,812 3,815 1,836 1,839 1,840 3,844 3,848 31,854 6,855 2,856 1,859 2,870 3.3,873 1,874 1,877 15.833,878 11.583,879 6.889,880 3.5,881 3.155,882 1.4,883 0.98,884 6.828,885 11.042,886 3.784,887 4.366,888 4.967,889 5.603,890 6.193,891 6.638,892 7.156,893 7.624,894 7.95,895 8.342,896 0.875,897 48,898 11.447,900 4.739,901 7.634,902 22.139,904 17.815,905 2.134,906 66.167,910 317.82,911 118.388,912 77.74,914 36.145,917 118.388,918 353.965,919 77.74,920 25.189,921 53.629,922 56.429,923 71.431,924 18.991,925 18.375,926 306.049,928 317.82,929 196.128,930 36.145,933 320.148,934 25.145,935 11,937 60.368,938 99.861,939 33.571,941 317.82,942 113.885,943 118.388,946 317.82,947 36.77,948 89.766,949 36.022,950 69.716,951 317.82,952 113.885,953 118.388,955 0.575,956 0.325,957 0.173,958 0.103,959 22,960 10,961 0.095,962 6,963 1,964 1.095,965 4.171,966 283.934,967 0.095,968 21,969 143.58,974 21.715,975 9.748,976 5.048,977 1.989,978 111.986,979 11.781,980 9.867,984 3.232,985 2.186,986 36.022,987 550.092,988 43,993 11.551,997 -0.251,999 60.087,1000 68.474,1001 0.265,1002 0.61,1003 0.768,1004 0.847,1005 0.847,1006 0.847,1007 5.024,1008 1.503,1009 5.922,1010 5.07,1011 4.554,1012 5.053,1013 2.219,1014 6.73,1015 4.44,1016 6.215,1017 1.472,1018 7.475,1019 4.264,1020 4.111,1021 4.89,1022 1.404,1023 7.636,1024 3.95,1025 7.518,1026 1.165,1027 9.129,1028 3.881,1029 6.138,1030 7.261,1031 2.581,1032 10.751,1033 5.919,1034 8.859,1035 1,1036 10.844,1037 2.907,1038 6.524,1039 7.981,1040 2.382,1041 12.524,1042 6.261,1043 10.237,1044 1,1045 12.601,1046 2.275,1047 8.012,1048 9.835,1049 3.295,1050 15.165,1051 7.695,1052 11.642,1053 0.851,1054 14.388,1055 2.136,1056 8.79,1057 10.974,1058 3.421,1059 17.302,1060 8.428,1061 13.068,1062 0.448,1063 16.196,1064 2.102,1065 10.063,1066 12.623,1067 4.17,1068 19.787,1069 9.649,1070 3.255,1071 0.386,1072 18.022,1073 1.041,1074 11.035,1075 13.966,1076 4.467,1077 22.083,1078 10.573,1079 2.797,1080 11.398,1081 19.862,1082 0.611,1083 12.225,1084 15.534,1085 5.115,1086 24.52,1087 11.712,1088 2.68,1089 8.949,1090 21.713,1091 4.627,1092 13.293,1093 16.974,1094 5.504,1095 26.886,1096 12.729,1097 2.521,1098 8.833,1099 23.573,1100 3.792,1101 14.455,1102 18.512,1103 6.092,1104 29.31,1105 13.839,1106 2.22,1107 7.316,1108 25.441,1109 3.311,1110 15.572,1111 19.998,1112 6.531,1113 31.709,1114 14.903,1115 2.055,1116 5.94,1117 27.316,1118 3.151,1119 16.728,1120 21.526,1121 7.084,1122 34.133,1123 16.007,1124 1.942,1125 5.326,1126 29.196,1127 2.689,1128 17.87,1129 23.034,1130 7.551,1131 36.548,1132 17.094,1133 11902,1134 19023,1135 22.77,1136 38.324,1137 50.722,1138 51.926,1139 52.191,1140 50.585,1141 50.592,1142 63.879,1143 8.726,1144 144.098,1145 47.668,1146 5.674,1147 5.54,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 2.912,1153 18.808,1154 5.085,1155 15.414,1156 1.492,1157 1.527,1158 1.535,1159 1.488,1160 1.488,1161 1.879,1162 0.257,1163 4.238,1164 1.402,1165 4.142,1166 4.187,1167 4.114,1168 4.004,1169 7.431,1170 4.026,1171 3.897,1172 3.932,1173 3.842,1174 3.814,1175 5.082,1176 3.816,1177 3.748,1178 3.811,1179 3.634,1180 3.523,1181 4.718,1182 3.54,1183 3.638,1184 3.721,1185 3.51,1186 3.413,1187 4.615,1188 3.421,1189 3.547,1190 3.616,1191 3.45,1192 3.259,1193 4.409,1194 3.301,1195 3.308,1196 3.384,1197 3.217,1198 3.087,1199 4.275,1200 3.107,1201 3.119,1202 3.206,1203 2.964,1204 2.941,1205 4.201,1206 2.925,1207 3.111,1208 3.203,1209 2.866,1210 2.935,1211 4,1212 2.91,1213 0.137,1214 0.104,1215 0.201,1216 0.124,1217 0.096,1218 4.674,1219 0.136,1220 3.54,1221 0.049,1222 6.841,1223 0.335,1224 4.202,1225 0.091,1226 3.255,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.951,1232 1.921,1233 2.03,1234 2.09,1235 1.227,1236 2.07,1237 1.8,1238 1.76,1239 1.938,1240 1.966,1241 1.169,1242 1.961,1243 1.697,1244 1.624,1245 1.916,1246 1.94,1247 1.102,1248 1.937,1249 1.579,1250 1.529,1251 1.737,1252 1.804,1253 0.882,1254 1.786,1255 1.442,1256 1.365,1257 1.692,1258 1.721,1259 0.825,1260 1.714,1261 1.42,1262 1.339,1263 1.681,1264 1.675,1265 0.776,1266 1.682,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.688,1272 1.429,1273 1.118,1274 1.045,1275 1.417,1276 1.35,1277 0.491,1278 1.365,1279 4.234,1281 5.549,1282 2.398,1283 7.057,1284 4.727,1285 8.656,1286 6.843,1287 10.31,1289 5.727,1295 4.789,1296 5.324,1297 5.537,1300 4.434,1305 36.374,1306 93.773,1307 216.3,1308 272.274,1309 300.149,1310 300.149,1311 300.149,1312 45.924,1313 7.886,1314 87.55,1315 87.55,1316 23,1317 12.714,1318 4.17,1319 3.322,1320 49.159,1321 124,1322 154,1323 0.192,1324 224.362,1325 380.48,1326 539.203,1327 27323,1329 21.794,1330 0.703,1331 0.589,1332 21.794,1333 18.259,1334 15.046,1335 0.443,1336 0.308,1337 10.263,1338 14.251,1339 9.961,1340 8.285,1341 15.046,1342 10.484,1343 13.46,1344 0.286,1345 0.166,1346 13.46,1347 7.801,1348 11.087,1349 0.179,1350 0.086,1351 11.087,1352 5.325,1353 9.079,1354 0.109,1355 0.043,1356 9.079,1357 3.579,1358 7.763,1359 0.07,1360 0.023,1361 7.763,1362 2.543,1363 0.298,1364 95.567,1365 0.21,1366 28.94,1367 0.539,1368 162,1369 468.362,1370 181.219,1371 447.596,1372 616.94,1373 422,1374 190,1375 455.963,1376 210.277,1377 461.949,1378 678.63,1379 432,1380 7.268}
{0 CHEMBL1089141,1 1.624,2 13.226,3 1.956,4 3.824,5 114.151,6 7.99,7 0.629,8 4.088,9 4.211,10 3.721,11 3.592,12 5.226,13 3.607,14 4.604,15 4.767,16 4.069,17 3.973,18 5.748,19 3.966,20 4.819,21 5.028,22 4.067,23 4.068,24 5.865,25 4.031,26 4.801,27 5.026,28 4.036,29 4.034,30 5.877,31 3.988,32 4.792,33 5.004,34 4.025,35 4.035,36 5.905,37 3.997,38 4.781,39 4.982,40 3.976,41 4.055,42 5.865,43 3.995,44 4.78,45 5.013,46 3.813,47 4.006,48 5.734,49 3.905,50 4.674,51 4.925,52 3.624,53 3.846,54 5.655,55 3.713,56 0.08,57 0.854,58 9.465,59 4.003,60 8.155,61 5.086,62 0.418,63 1.335,64 18.407,65 6.723,66 29.859,67 8.673,68 0.462,69 1.545,70 25.516,71 8.225,72 37.982,73 11.26,74 0.411,75 1.52,76 25.317,77 8.385,78 38.636,79 11.788,80 0.455,81 1.46,82 25.232,83 8.236,84 50.452,85 11.16,86 0.467,87 1.466,88 23.958,89 8.587,90 47.086,91 11.36,92 0.417,93 1.387,94 25.514,95 9.245,96 34.873,97 12.933,98 0.402,99 1.188,100 24.201,101 9.405,102 44.261,103 13.294,104 2,105 48,106 0.267,107 0.632,108 0.761,109 0.81,110 0.816,111 0.823,112 3.472,113 0.859,114 -3.73,115 -3.7,116 -3.52,119 42.3,125 4,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 2,175 7,178 3,179 1,180 6,183 5,186 1,187 7,192 2,195 2,198 1,199 9,202 3,204 6,207 1,211 1,212 5,217 4,220 3,223 1,224 4,227 3,229 3,232 8,236 1,237 1,240 1,245 6,249 2,250 4,253 3,254 1,255 1,258 2,263 4,268 1,275 1657,276 21.585,277 21.585,278 21.585,279 21.585,280 21.585,281 18.913,282 22.178,283 13.04,284 22.189,285 17.363,286 17.363,287 17.363,288 17.363,289 17.363,290 13.337,291 33.192,292 6.279,293 18.312,294 4.077,295 1.853,296 1.07,297 0.769,298 0.731,299 0.692,300 4.186,304 1,305 1,306 918,307 3,310 77.637,311 387.3,314 135.359,318 2.089,319 26.234,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 67.5,331 410,332 4.603,333 3.562,334 6.731,335 4.143,336 3.193,337 4.529,338 1.656,339 11.011,340 3.035,341 4.155,342 3.304,343 6.107,344 3.767,345 2.792,346 3.774,347 0.86,348 8.933,349 2.723,350 3.971,351 2.844,352 5.766,353 3.606,354 2.643,355 3.478,356 0.8,357 7.813,358 2.541,359 3.759,360 2.673,361 5.567,362 3.431,363 2.505,364 3.183,365 0.247,366 7.629,367 2.321,368 3.737,369 2.543,370 5.323,371 3.355,372 2.39,373 3.038,375 6.922,376 2.294,377 3.403,378 2.384,379 4.691,380 2.943,381 1.953,382 2.655,384 5.114,385 1.92,386 3.015,387 2.233,388 4.665,389 2.694,390 1.79,391 2.177,393 4.788,394 1.615,395 2.965,396 1.558,397 4.402,398 2.452,399 1.5,400 2.093,402 4.229,403 1.424,404 2.842,405 1.535,406 3.715,407 2.315,408 1.374,409 1.972,411 2.994,412 1.286,413 2.545,414 1.519,415 3.569,416 2.113,417 1.235,418 1.566,420 2.918,421 1.078,422 2.5,423 1.256,424 3.453,425 2.002,426 1.047,427 1.5,428 2.391,429 1,430 2.5,431 1.063,432 3.414,433 2,434 1,435 1.5,436 2.275,437 0.996,438 2.378,439 1,440 3.337,441 1.984,442 1,443 1.364,445 2.136,446 0.983,447 2,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.939,457 0.68,458 3.247,459 1.475,460 0.55,461 0.749,463 1.5,464 0.507,465 14.467,466 0.467,467 0.585,468 0.019,469 45,470 1.452,471 23,472 0.742,473 22,474 0.71,475 21.718,476 0.701,477 32.333,478 0.622,479 33.52,480 1.081,481 9.05,482 0.292,483 6.21,484 0.2,485 0.023,487 0.304,493 0.903,494 1.446,495 0.722,496 1.079,497 0.635,498 0.894,499 0.998,500 1.08,501 0.914,502 0.962,503 0.656,504 0.935,505 1.176,506 1.169,507 1.027,508 0.972,509 1,510 0.969,511 0.854,512 1.024,513 0.928,514 0.99,515 0.848,516 0.962,517 1.194,518 1.005,519 1.003,520 0.921,521 1.495,522 0.92,523 1.061,524 0.959,525 1.153,526 1.079,527 1.227,528 1.124,529 0.759,530 0.949,531 1.077,532 1.105,533 0.574,534 1.138,535 0.422,536 0.886,537 0.911,538 1.166,539 0.464,540 1.155,541 5,542 0.129,543 2.667,544 1.5,545 1.359,546 1.066,547 0.562,548 0.202,549 0.206,550 0.205,551 14950,552 40771,553 2.2,554 40.4,556 15,557 1,558 2,559 3,564 1.733,565 2.138,566 3.644,567 0.908,568 1,569 1,573 84.425,574 1.624,575 3.847,576 4.63,577 4.931,578 4.97,579 5.008,580 3.075,581 4.503,582 4.923,583 3.843,584 1786.77,585 8.582,586 26132.2,588 1,590 1,591 296.423,592 1.058,593 4.918,594 0.143,595 0.006,596 0.056,597 0.032,598 0.03,599 0.024,600 0.013,601 0.006,602 0.007,603 0.009,604 0.325,605 0.33,606 0.88,607 0.32,608 163.032,609 -0.101,610 -0.264,611 0.054,612 -0.085,613 -0.052,614 -0.001,615 0.047,616 0.035,617 -0.038,618 -0.002,619 0.066,620 -0.039,621 -0.166,622 -0.139,623 -0.074,624 -0.013,625 -0.095,626 -0.026,628 0.005,629 0.03,630 -0.033,631 0.059,632 0.001,633 -0.15,634 0.004,635 -0.037,636 0.048,637 -0.108,638 0.036,639 -0.09,640 0.068,641 -0.221,642 -0.097,643 -0.109,644 -0.169,645 0.019,646 0.005,647 -0.111,648 -0.087,649 -0.024,650 -0.112,651 0.306,652 -0.015,653 0.095,654 -0.107,655 0.215,656 -0.067,657 1.988,658 5.186,659 0.871,660 34.918,661 1.011,662 1.131,663 2.5,664 6.252,665 0.678,666 3.584,667 3.892,668 4.174,669 4.466,670 4.7,671 4.787,672 4.977,673 5.112,674 5.176,675 5.303,676 7.685,677 0.659,678 415.5,679 3.584,680 5.118,681 5.969,682 6.843,683 7.71,684 8.592,685 9.469,686 10.356,687 11.239,688 12.13,689 13.5,695 1,696 2,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,726 1,731 52,733 23,734 1,735 35,737 56,738 22,739 17,740 2,741 4,746 5,747 6,751 1,761 18,762 4,766 1,771 1,775 1,778 1,781 21,782 8,783 3,784 9,790 7,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 31,854 4,855 2,856 1,859 1,870 3.8,873 1,874 1,877 14.5,878 9.217,879 6.778,880 3.014,881 4.022,882 1.497,883 1.034,884 5.587,885 12.113,886 3.871,887 4.469,888 5.067,889 5.693,890 6.234,891 6.567,892 7.054,893 7.497,894 7.772,895 8.195,896 0.889,897 47,898 11.416,900 4.873,901 7.704,902 21.783,904 17.838,905 2.204,906 68.333,910 211.88,911 128.791,912 106.288,914 36.145,917 128.791,918 248.025,919 106.288,921 49.418,922 75.381,923 111.759,924 51.605,925 18.375,926 176.567,928 211.88,929 235.079,930 36.145,933 214.208,934 25.145,935 11,937 86.013,938 96.381,939 50.357,941 211.88,942 142.433,943 128.791,946 211.88,947 35.315,948 96.6,949 52.807,950 86.501,951 211.88,952 142.433,953 128.791,955 0.573,956 0.332,957 0.188,958 0.103,959 24,960 9,961 0.071,962 4,963 1,964 1.074,965 4.408,966 282.73,967 0.074,968 27,969 141.58,974 19.64,975 8.819,976 4.417,977 1.794,978 125.647,979 18.027,980 13.456,981 3.191,984 3.746,986 52.807,987 483.104,988 47,993 12.186,997 -0.322,999 52.552,1000 58.813,1001 0.285,1002 0.675,1003 0.812,1004 0.865,1005 0.872,1006 0.879,1007 5.091,1008 1.5,1009 5.927,1010 4.788,1011 4.575,1012 5.156,1013 2.109,1014 6.713,1015 4.476,1016 6.279,1017 1.374,1018 7.459,1019 4.229,1020 4.007,1021 4.844,1022 1.305,1023 7.535,1024 3.883,1025 7.571,1026 1.235,1027 9.092,1028 2.994,1029 6.133,1030 7.351,1031 2.545,1032 10.664,1033 5.944,1034 8.901,1035 1.047,1036 10.788,1037 2.918,1038 6.431,1039 7.931,1040 2.354,1041 12.369,1042 6.215,1043 10.265,1044 1,1045 12.527,1046 2.391,1047 7.974,1048 9.866,1049 3.285,1050 14.992,1051 7.698,1052 11.654,1053 1,1054 14.296,1055 2.275,1056 8.689,1057 10.889,1058 3.414,1059 17.074,1060 8.378,1061 13.064,1062 1,1063 16.087,1064 2.136,1065 9.983,1066 12.575,1067 4.168,1068 19.531,1069 9.619,1070 3.193,1071 0.55,1072 17.894,1073 2.136,1074 10.908,1075 13.832,1076 4.466,1077 21.781,1078 10.502,1079 2.792,1080 11.011,1081 19.716,1082 1.5,1083 12.097,1084 15.407,1085 5.115,1086 24.185,1087 11.64,1088 2.643,1089 8.933,1090 21.548,1091 4.529,1092 13.129,1093 16.785,1094 5.504,1095 26.512,1096 12.624,1097 2.505,1098 7.813,1099 23.39,1100 3.774,1101 14.278,1102 18.314,1103 6.092,1104 28.903,1105 13.724,1106 2.39,1107 7.629,1108 25.24,1109 3.478,1110 15.364,1111 19.755,1112 6.531,1113 31.265,1114 14.759,1115 1.953,1116 6.922,1117 27.096,1118 3.183,1119 16.503,1120 21.267,1121 7.084,1122 33.655,1123 15.847,1124 1.79,1125 5.114,1126 28.958,1127 3.038,1128 17.617,1129 22.74,1130 7.551,1131 36.034,1132 16.91,1133 13700,1134 22773,1135 24.444,1136 35.279,1137 52.341,1138 53.279,1139 52.493,1140 52.043,1141 52.08,1142 69.324,1143 7.126,1144 145.953,1145 49.471,1146 5.603,1147 5.562,1148 6.533,1149 5.246,1150 5.193,1151 7.529,1152 2.912,1153 18.221,1154 5.035,1155 7.327,1156 1.495,1157 1.522,1158 1.5,1159 1.487,1160 1.488,1161 1.981,1162 0.204,1163 4.17,1164 1.413,1165 4.121,1166 4.167,1167 4.092,1168 3.987,1169 7.431,1170 4.007,1171 3.91,1172 3.952,1173 3.857,1174 3.809,1175 5.116,1176 3.814,1177 3.846,1178 3.885,1179 3.786,1180 3.74,1181 4.909,1182 3.748,1183 3.732,1184 3.791,1185 3.614,1186 3.506,1187 4.73,1188 3.523,1189 3.431,1190 3.481,1191 3.386,1192 3.174,1193 4.62,1194 3.219,1195 3.235,1196 3.296,1197 3.176,1198 2.981,1199 4.408,1200 3.028,1201 3.111,1202 3.206,1203 2.882,1204 2.941,1205 4.078,1206 2.91,1207 2.952,1208 3.013,1209 2.866,1210 2.735,1211 3.993,1212 2.748,1213 0.132,1214 0.102,1215 0.192,1216 0.118,1217 0.091,1218 4.603,1219 0.129,1220 3.562,1221 0.047,1222 6.731,1223 0.315,1224 4.143,1225 0.087,1226 3.193,1227 4.529,1228 1.656,1229 11.011,1230 3.035,1231 1.949,1232 1.919,1233 2.029,1234 2.084,1235 1.221,1236 2.065,1237 1.826,1238 1.785,1239 1.941,1240 1.991,1241 1.106,1242 1.978,1243 1.788,1244 1.75,1245 1.926,1246 1.941,1247 0.948,1248 1.941,1249 1.593,1250 1.542,1251 1.733,1252 1.82,1253 0.881,1254 1.796,1255 1.459,1256 1.392,1257 1.633,1258 1.675,1259 0.825,1260 1.672,1261 1.244,1262 1.197,1263 1.513,1264 1.556,1265 0.602,1266 1.505,1267 1.153,1268 1.064,1269 1.364,1270 1.376,1271 0.329,1272 1.429,1273 0.922,1274 0.876,1275 1.181,1276 1.133,1277 0.235,1278 1.119,1279 4.263,1281 5.572,1282 2.398,1283 7.079,1284 4.595,1285 8.675,1286 6.605,1287 10.32,1295 2.971,1296 5.581,1297 5.476,1300 2.226,1305 34.267,1306 84.425,1307 200.042,1308 240.771,1309 256.423,1310 258.423,1311 260.423,1312 40.284,1313 8.091,1314 108.06,1315 108.06,1316 29,1317 12.66,1318 4.585,1319 3.7,1320 43.857,1321 143,1322 150,1323 0.147,1324 208.186,1325 349.3,1326 499.734,1327 40932,1329 21.045,1330 0.679,1331 0.539,1332 21.045,1333 16.707,1334 15.259,1335 0.436,1336 0.286,1337 9.844,1338 14.554,1339 9.713,1340 7.99,1341 15.259,1342 10.024,1343 13.51,1344 0.281,1345 0.148,1346 13.51,1347 7.103,1348 11.458,1349 0.179,1350 0.079,1351 11.458,1352 5.045,1353 9.973,1354 0.116,1355 0.041,1356 9.973,1357 3.502,1358 8.064,1359 0.074,1360 0.021,1361 8.064,1362 2.313,1363 0.236,1364 96.294,1365 0.202,1366 29.539,1367 0.391,1368 166,1369 499.05,1370 185.164,1371 481.174,1372 667.61,1373 454,1374 195,1375 499.315,1376 214.084,1377 502.974,1378 738.19,1379 475,1380 7.553}
{0 CHEMBL1089422,1 1.458,2 9.464,3 4.981,4 24.805,5 105.803,6 8.59,7 0.688,8 3.912,9 3.98,10 3.593,11 3.544,12 5.183,13 3.55,14 4.348,15 4.429,16 3.994,17 3.938,18 5.603,19 3.938,20 4.603,21 4.73,22 4.057,23 4.014,24 5.861,25 4.003,26 4.638,27 4.785,28 4.035,29 3.972,30 6.022,31 3.952,32 4.556,33 4.692,34 3.911,35 3.924,36 5.78,37 3.902,38 4.553,39 4.701,40 3.953,41 3.962,42 5.821,43 3.927,44 4.59,45 4.743,46 3.888,47 3.948,48 5.784,49 3.907,50 4.565,51 4.738,52 3.785,53 3.856,54 5.781,55 3.803,56 0.11,57 0.501,58 6.487,59 3.739,60 17.071,61 3.68,62 0.085,63 0.796,64 9.798,65 5.916,66 11.103,67 6.317,68 0.356,69 1.059,70 16.599,71 7.927,72 42.071,73 8.502,74 0.631,75 1.13,76 18.543,77 8.144,78 77.879,79 9.174,80 0.409,81 1.016,82 16.778,83 7.51,84 51.31,85 7.554,86 0.337,87 1.012,88 16.446,89 7.913,90 46.745,91 9.23,92 0.328,93 1.042,94 17.918,95 8.269,96 40.281,97 9.003,98 0.362,99 1.038,100 18.601,101 8.198,102 46.724,103 9.313,104 10,105 47,106 0.247,107 0.535,108 0.667,109 0.809,110 0.876,111 0.887,112 3.376,113 0.82,114 -4.04,115 -3.99,116 -3.78,119 53.5,135 1,136 1,142 11,143 3,144 4,152 2,157 1,172 12,175 7,180 5,183 16,187 6,190 1,192 1,195 13,199 5,202 2,203 2,204 5,207 13,211 1,212 3,217 2,220 15,224 5,227 1,228 1,229 4,232 14,237 4,242 6,245 13,250 2,253 1,255 6,258 11,266 1,268 7,271 8,275 1192,276 19.154,277 19.154,278 19.154,279 19.154,280 19.154,281 16.146,282 14.376,283 11.159,284 19.302,285 15.832,286 15.832,287 15.832,288 15.832,289 15.832,290 11.306,291 17.758,292 5.334,293 16.126,294 3.968,295 2.264,296 1.487,297 0.648,298 0.25,299 0.186,300 4.086,304 1,305 1,306 593,307 2.55,310 101.855,311 206.441,314 200.55,318 1.25,319 32.656,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60.5,331 265,332 4.721,333 3.424,334 6.904,335 4.285,336 3.301,337 4.685,338 0.6,339 11.58,340 3.249,341 4.594,342 3.335,343 6.832,344 4.186,345 3.204,346 4.239,348 11.301,349 3.145,350 3.977,351 2.683,352 5.986,353 3.571,354 2.576,355 3.55,357 8.408,358 2.563,359 3.869,360 2.615,361 5.734,362 3.451,363 2.482,364 3.366,366 7.658,367 2.401,368 3.509,369 2.309,370 5.196,371 3.055,372 2.086,373 2.882,375 6.174,376 2.017,377 3.405,378 2.052,379 5.12,380 2.942,381 1.962,382 2.776,384 5.884,385 1.914,386 3.244,387 1.927,388 4.946,389 2.771,390 1.791,391 2.522,393 5.4,394 1.75,395 3.094,396 1.879,397 4.527,398 2.633,399 1.66,400 2.275,402 4.425,403 1.612,404 2.875,405 1.495,406 4.249,407 2.416,408 1.422,409 2.039,411 3.429,412 1.412,413 2.657,414 1.426,415 3.703,416 2.205,417 1.252,418 1.693,420 3.038,421 1.185,422 2.522,423 1.152,424 3.588,425 2.051,426 1.066,427 1.502,428 2.652,429 1.046,430 2.5,431 1,432 3.403,433 2,434 1,435 1.5,436 2.136,437 1,438 2.315,439 0.841,440 3.247,441 1.668,442 0.692,443 1.08,445 1.827,446 0.674,447 1.297,448 0.287,449 2.965,450 0.953,451 -0.019,452 -0.023,454 -0.051,455 -0.018,456 1.144,457 -0.016,458 2.724,459 0.743,460 -0.186,461 -0.237,463 -0.487,464 -0.172,465 13.233,466 0.473,467 0.73,468 0.026,469 42.75,470 1.527,471 25,472 0.893,473 17.75,474 0.634,475 18.448,476 0.659,477 27.567,478 0.641,479 32.738,480 1.169,481 8.579,482 0.306,483 5.035,484 0.18,485 0.076,487 0.416,493 0.966,494 0.829,495 0.717,496 0.747,497 1.031,498 0.693,499 0.723,500 1.129,501 0.708,502 1.032,503 0.606,504 0.904,505 0.985,506 1.077,507 0.897,508 0.99,509 0.946,510 0.937,511 0.744,512 1.019,513 0.902,514 0.974,515 0.653,516 0.962,517 1.305,518 0.922,519 1.126,520 0.923,521 1.218,522 0.968,523 0.694,524 0.996,525 0.849,526 1.008,527 0.586,528 0.974,529 1.106,530 1.001,531 1.059,532 1.016,533 0.95,534 1.026,535 1.028,536 1.025,537 1.063,538 1.044,539 1.025,540 1.06,541 5,542 0.102,543 3.111,544 3.118,545 1.588,546 1.008,547 0.559,548 0.517,549 0.38,550 0.223,551 9416,552 26980,553 2.177,554 34.9,556 12,559 3,564 1.717,565 2.049,566 3.21,567 0.847,573 62.684,574 1.458,575 3.163,576 3.94,577 4.778,578 5.176,579 5.24,580 2.569,581 4.495,582 4.782,583 3.346,584 1264.65,585 8.35,586 16081.3,588 1,591 233.329,592 1.375,593 4.745,594 0.156,595 0.007,596 0.066,597 0.065,598 0.035,599 0.025,600 0.013,601 0.013,602 0.011,603 0.009,604 0.4,605 0.5,606 0.88,607 0.517,608 137.371,609 -0.141,610 0.109,611 -0.016,612 0.147,613 -0.219,614 0.105,615 -0.021,616 -0.183,617 0.006,618 -0.138,619 -0.008,620 -0.079,621 -0.006,622 -0.095,623 -0.004,624 -0.05,625 -0.051,626 -0.033,627 0.301,628 0.007,629 0.055,630 -0.027,631 0.311,632 -0.032,633 -0.185,634 0.075,635 -0.193,636 0.024,637 -0.212,638 -0.061,639 0.131,640 -0.032,641 0.067,642 -0.043,643 0.167,644 -0.013,645 -0.136,646 -0.045,647 -0.103,648 -0.04,649 -0.091,650 -0.059,651 -0.057,652 -0.049,653 -0.052,654 -0.054,655 -0.038,656 -0.055,657 1.912,658 4.607,659 0.857,660 22.031,661 1.014,662 1.099,663 2.807,664 7.877,665 0.725,666 3.497,667 3.871,668 4.22,669 4.575,670 4.812,671 4.963,672 5.136,673 5.323,674 5.421,675 5.505,676 5.76,677 0.711,678 369.39,679 3.497,680 5.069,681 5.958,682 6.874,683 7.782,684 8.706,685 9.621,686 10.549,687 11.468,688 12.397,689 2.3,698 1,703 2,704 11,707 1,709 7,711 22,714 1,728 3,731 43,733 24,734 3,735 32,737 47,738 23,739 20,740 7,741 11,742 3,746 5,747 7,761 23,766 2,773 1,774 1,775 2,780 1,781 15,782 5,783 3,784 5,790 1,794 0.6,795 4,811 2,812 3,815 2,831 1,832 1,840 3,848 28,853 3,870 9.3,872 3,875 1,877 13.667,878 7.717,879 5.972,880 2.444,881 5.3,882 1.654,883 0.997,884 3.827,885 13.401,886 3.829,887 4.525,888 5.22,889 5.9,890 6.479,891 6.894,892 7.408,893 7.934,894 8.347,895 8.779,896 1,897 48,898 10.354,900 4.667,901 7.887,902 19.342,904 16.448,905 2.387,906 66.833,909 1,910 141.253,911 141.643,912 16.786,914 137.557,917 141.643,918 278.811,919 16.786,922 113.715,923 130.807,924 41.179,925 10.285,926 141.253,928 141.253,929 158.429,930 137.557,933 141.253,934 137.557,937 16.786,938 132.167,939 9.476,941 141.253,942 154.343,943 141.643,946 141.253,947 27.928,948 113.715,950 154.343,951 141.253,952 154.343,953 141.643,955 0.59,956 0.357,957 0.21,958 0.115,959 26,960 11,961 0.043,962 2,963 2,964 1.167,965 3.9,966 266.912,967 0.167,968 24,969 130.606,974 16.808,975 6.375,976 2.745,977 0.362,978 154.343,979 20.034,982 5.72,984 2.321,986 128.05,987 437.239,988 45,995 1.712,996 4.75,997 1.577,999 43.596,1000 47.242,1001 0.269,1002 0.583,1003 0.726,1004 0.881,1005 0.954,1006 0.966,1007 5.078,1008 1.66,1009 5.964,1010 5.4,1011 4.554,1012 5.212,1013 0.542,1014 6.843,1015 4.515,1016 6.33,1017 1.422,1018 7.56,1019 4.425,1020 4.205,1021 5.075,1023 7.847,1024 4.13,1025 7.668,1026 1.252,1027 9.258,1028 3.429,1029 6.205,1030 7.522,1031 0.23,1032 11.019,1033 6.135,1034 9.047,1035 1.066,1036 11.017,1037 3.038,1038 6.698,1039 8.24,1041 12.883,1042 6.596,1043 10.458,1044 1,1045 12.815,1046 2.652,1047 8.178,1048 10.141,1049 0.089,1050 15.57,1051 8.078,1052 11.896,1053 0.692,1054 14.641,1055 2.136,1056 9.059,1057 11.277,1059 17.781,1060 8.931,1061 13.355,1062 -0.019,1063 16.488,1064 1.827,1065 10.342,1066 12.951,1067 0.033,1068 20.305,1069 10.209,1070 3.301,1071 -0.186,1072 18.35,1073 -0.051,1074 11.395,1075 14.293,1077 22.653,1078 11.238,1079 3.204,1080 11.58,1081 20.224,1082 -0.487,1083 12.607,1084 15.873,1085 0.012,1086 25.121,1087 12.439,1088 2.576,1089 11.301,1090 22.108,1091 4.685,1092 13.733,1093 17.313,1095 27.524,1096 13.545,1097 2.482,1098 8.408,1099 24,1100 4.239,1101 14.92,1102 18.856,1103 0.004,1104 29.972,1105 14.719,1106 2.086,1107 7.658,1108 25.898,1109 3.55,1110 16.077,1111 20.342,1113 32.396,1114 15.857,1115 1.962,1116 6.174,1117 27.801,1118 3.366,1119 17.258,1120 21.874,1121 0.002,1122 34.838,1123 17.023,1124 1.791,1125 5.884,1126 29.708,1127 2.882,1128 18.429,1129 23.383,1131 37.271,1132 18.176,1133 8721,1134 14914,1135 21.789,1136 31.154,1137 50.004,1138 49.454,1139 50.548,1140 49.115,1141 48.989,1142 68.217,1143 1.2,1144 147.825,1145 47.933,1146 5.544,1147 5.424,1148 6.706,1149 5.305,1150 5.301,1151 7.685,1152 1.2,1153 18.923,1154 5.249,1155 11.618,1156 1.563,1157 1.545,1158 1.58,1159 1.535,1160 1.531,1161 2.132,1162 0.038,1163 4.62,1164 1.498,1165 4.137,1166 4.139,1167 4.116,1168 4.047,1169 6.505,1170 4.061,1171 4.007,1172 4.022,1173 3.975,1174 3.932,1175 6.463,1176 3.941,1177 3.83,1178 3.86,1179 3.759,1180 3.779,1181 6.44,1182 3.771,1183 3.505,1184 3.523,1185 3.446,1186 3.406,1187 5.028,1188 3.409,1189 3.291,1190 3.316,1191 3.229,1192 3.15,1193 4.907,1194 3.168,1195 3.023,1196 3.031,1197 2.95,1198 2.825,1199 4.7,1200 2.837,1201 2.931,1202 2.98,1203 2.835,1204 2.785,1205 4.309,1206 2.8,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 4.078,1212 2.715,1213 0.148,1214 0.107,1215 0.216,1216 0.134,1217 0.103,1218 4.721,1219 0.146,1220 3.424,1221 0.019,1222 6.904,1223 0.362,1224 4.285,1225 0.102,1226 3.301,1227 4.685,1228 0.6,1229 11.58,1230 3.249,1231 1.917,1232 1.897,1233 2.023,1234 1.994,1235 1.131,1236 2,1237 1.893,1238 1.885,1239 1.983,1240 1.986,1241 1.087,1242 1.977,1243 1.878,1244 1.854,1245 1.948,1246 1.952,1247 1.069,1248 1.963,1249 1.572,1250 1.56,1251 1.659,1252 1.718,1253 0.752,1254 1.694,1255 1.211,1256 1.196,1257 1.299,1258 1.396,1259 0.368,1260 1.364,1261 0.968,1262 0.946,1263 1.181,1264 1.212,1265 0.218,1266 1.164,1267 0.914,1268 0.891,1269 1.122,1270 1.136,1271 0.203,1272 1.118,1273 0.886,1274 0.821,1275 1.101,1276 1.062,1277 0.166,1278 1.107,1279 4.174,1281 5.533,1282 3.045,1283 7.089,1284 5.533,1285 8.736,1286 7.735,1287 10.43,1294 30.357,1305 30.568,1306 62.684,1307 135.991,1308 169.401,1309 205.455,1310 222.574,1311 225.329,1312 48.56,1313 8.1,1314 86.72,1315 86.72,1316 28,1317 12.902,1318 4.644,1319 3.807,1320 37.388,1321 95,1322 94,1323 0.191,1324 182.078,1325 315.54,1326 436.03,1327 37807,1329 19.25,1330 0.688,1331 0.522,1332 19.25,1333 14.625,1334 13.614,1335 0.425,1336 0.273,1337 8.658,1338 13.236,1339 8.506,1340 7.005,1341 13.614,1342 8.746,1343 12.652,1344 0.269,1345 0.139,1346 12.652,1347 6.555,1348 11.11,1349 0.166,1350 0.071,1351 11.11,1352 4.76,1353 10.194,1354 0.106,1355 0.036,1356 10.194,1357 3.493,1358 8.071,1359 0.066,1360 0.019,1361 8.071,1362 2.36,1363 0.29,1364 84.642,1365 0.214,1366 26.071,1367 0.554,1368 158,1369 459.83,1370 170.572,1371 450.048,1372 626.75,1373 420,1374 193,1375 478.181,1376 206.239,1377 484.625,1378 718.98,1379 459,1380 5.985}
{0 CHEMBL1089423,1 1.549,2 9.464,3 4.258,4 18.134,5 103.275,6 8.819,7 0.688,8 3.9,9 3.968,10 3.6,11 3.511,12 5.192,13 3.528,14 4.332,15 4.415,16 4,17 3.898,18 5.614,19 3.912,20 4.573,21 4.7,22 4.063,23 3.967,24 5.866,25 3.972,26 4.598,27 4.736,28 4.04,29 3.923,30 6.016,31 3.92,32 4.523,33 4.656,34 3.916,35 3.872,36 5.781,37 3.868,38 4.524,39 4.672,40 3.962,41 3.906,42 5.834,43 3.889,44 4.538,45 4.685,46 3.892,47 3.892,48 5.785,49 3.868,50 4.518,51 4.685,52 3.786,53 3.81,54 5.76,55 3.772,56 0.138,57 0.528,58 5.945,59 3.556,60 18.089,61 3.323,62 0.137,63 0.841,64 8.939,65 5.532,66 12.378,67 5.615,68 0.439,69 1.083,70 15.363,71 7.295,72 46.08,73 7.436,74 0.662,75 1.108,76 16.695,77 7.481,78 77.135,79 8.083,80 0.468,81 1.016,82 15.466,83 6.905,84 53.731,85 6.534,86 0.434,87 1.036,88 15.407,89 7.201,90 49.997,91 8.129,92 0.408,93 1.03,94 16.036,95 7.394,96 44.18,97 7.758,98 0.394,99 1.011,100 16.8,101 7.523,102 43.38,103 8.334,104 10,105 47,106 0.263,107 0.589,108 0.743,109 0.878,110 0.917,111 0.917,112 3.376,113 0.807,114 -2.66,115 -2.68,116 -2.6,119 52.4,135 1,136 1,142 9,143 2,144 4,145 1,146 1,152 2,157 1,172 8,175 8,180 5,183 10,186 1,187 7,190 1,192 1,195 7,199 6,202 2,203 2,204 5,207 8,211 1,212 4,217 2,220 9,223 1,224 6,227 1,228 1,229 3,232 9,237 4,240 1,242 5,245 9,250 3,253 1,255 4,258 8,263 1,266 2,268 5,271 6,275 1192,276 19.154,277 19.154,278 19.154,279 19.154,280 19.154,281 16.146,282 14.376,283 11.159,284 19.366,285 15.832,286 15.832,287 15.832,288 15.832,289 15.832,290 11.306,291 17.758,292 5.334,293 16.227,294 3.843,295 1.925,296 1.019,297 0.226,300 4.086,304 1,305 1,306 593,307 2.55,310 101.855,311 206.441,314 200.55,318 1.25,319 35.2,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61,331 265,332 4.721,333 3.424,334 6.904,335 4.284,336 3.301,337 4.685,338 0.6,339 11.58,340 3.244,341 4.594,342 3.335,343 6.832,344 4.184,345 3.204,346 4.239,348 11.301,349 3.14,350 3.977,351 2.683,352 5.986,353 3.552,354 2.576,355 3.55,357 8.408,358 2.512,359 3.869,360 2.615,361 5.734,362 3.451,363 2.482,364 3.366,366 7.658,367 2.4,368 3.509,369 2.309,370 5.196,371 3.052,372 2.086,373 2.882,375 6.174,376 2.01,377 3.405,378 2.052,379 5.12,380 2.938,381 1.962,382 2.776,384 5.884,385 1.908,386 3.244,387 1.927,388 4.946,389 2.768,390 1.791,391 2.522,393 5.4,394 1.744,395 3.094,396 1.879,397 4.527,398 2.63,399 1.66,400 2.275,402 4.425,403 1.607,404 2.875,405 1.495,406 4.249,407 2.413,408 1.422,409 2.039,411 3.429,412 1.408,413 2.657,414 1.426,415 3.703,416 2.204,417 1.252,418 1.693,420 3.038,421 1.183,422 2.522,423 1.152,424 3.588,425 2.043,426 1.066,427 1.502,428 2.652,429 1.038,430 2.5,431 1,432 3.403,433 1.958,434 1,435 1.5,436 2.136,437 0.955,438 2.315,439 0.841,440 3.247,441 1.664,442 0.692,443 1.08,445 1.827,446 0.671,447 1.297,448 0.287,449 2.965,450 0.952,451 -0.019,452 -0.023,454 -0.051,455 -0.018,456 1.144,457 -0.016,458 2.724,459 0.743,460 -0.186,461 -0.237,463 -0.487,464 -0.172,465 13.133,466 0.469,467 0.73,468 0.026,469 43.25,470 1.545,471 25,472 0.893,473 18.25,474 0.652,475 18.145,476 0.648,477 27.667,478 0.659,479 33.042,480 1.18,481 8.661,482 0.309,483 4.953,484 0.177,485 0.076,487 0.419,493 0.977,494 0.915,495 0.7,496 0.77,497 1.035,498 0.693,499 0.768,500 1.174,501 0.694,502 1.036,503 0.627,504 0.888,505 1.02,506 1.014,507 0.899,508 0.957,509 0.977,510 0.908,511 0.772,512 1.072,513 0.899,514 1.008,515 0.675,516 0.981,517 1.346,518 0.956,519 1.133,520 0.922,521 1.256,522 0.959,523 0.723,524 0.994,525 0.847,526 0.975,527 0.613,528 0.948,529 1.075,530 0.981,531 1.053,532 0.998,533 0.964,534 1.016,535 1.002,536 1.049,537 1.059,538 1.079,539 0.983,540 1.087,541 5,542 0.102,543 3.111,544 3.118,545 1.588,546 1.008,547 0.559,548 0.517,549 0.38,550 0.223,551 9416,552 28096,553 2.177,554 33.3,556 10,558 1,559 3,564 1.717,565 2.049,566 3.21,567 0.882,569 1,573 65.067,574 1.549,575 3.467,576 4.373,577 5.166,578 5.392,579 5.392,580 2.569,581 4.495,582 4.782,583 3.346,584 1264.65,585 8.35,586 16081.3,588 1,590 1,591 226.477,592 1.375,593 4.745,594 0.156,595 0.007,596 0.066,597 0.065,598 0.035,599 0.025,600 0.013,601 0.013,602 0.011,603 0.009,604 0.4,605 0.5,606 0.88,607 0.517,608 137.371,609 -0.156,610 0.049,611 -0.019,612 0.128,613 -0.226,614 0.097,615 -0.048,616 -0.192,617 0.005,618 -0.142,619 -0.018,620 -0.075,621 -0.026,622 -0.013,623 -0.012,624 -0.021,625 -0.068,626 -0.014,627 0.275,628 -0.064,629 0.045,630 -0.061,631 0.302,632 -0.058,633 -0.222,634 0.042,635 -0.205,636 0.024,637 -0.237,638 -0.06,639 0.14,640 -0.001,641 0.075,642 -0.018,643 0.164,644 0.004,645 -0.112,646 -0.011,647 -0.109,648 -0.03,649 -0.084,650 -0.06,651 -0.061,652 -0.09,653 -0.056,654 -0.088,655 -0.034,656 -0.077,657 1.925,658 4.591,659 0.857,660 22.031,661 1.019,662 1.103,663 1.428,664 2.038,665 0.724,666 3.497,667 3.871,668 4.22,669 4.575,670 4.812,671 4.963,672 5.136,673 5.323,674 5.421,675 5.505,676 5.76,677 0.716,678 370.38,679 3.497,680 5.069,681 5.958,682 6.874,683 7.782,684 8.706,685 9.621,686 10.549,687 11.468,688 12.397,689 4.8,698 1,699 1,703 2,704 10,705 1,707 1,709 7,711 22,714 1,728 3,731 42,733 24,734 2,735 32,737 46,738 22,739 19,740 6,741 6,742 3,746 5,747 7,761 22,766 2,773 1,774 1,775 2,778 1,780 1,781 14,782 6,783 3,784 6,790 2,794 0.6,795 4,805 1,811 2,812 3,815 2,831 1,832 1,840 3,848 28,853 3,870 9.5,872 3,875 1,877 13.667,878 7.583,879 5.972,880 2.367,881 5.3,882 1.654,883 0.994,884 3.792,885 13.401,886 3.829,887 4.525,888 5.22,889 5.9,890 6.479,891 6.894,892 7.408,893 7.934,894 8.347,895 8.779,896 1,897 48,898 10.345,900 4.667,901 7.923,902 19.213,904 16.256,905 2.423,906 67.833,909 1,910 129.482,911 131.309,912 33.571,914 137.557,917 131.309,918 267.039,919 33.571,922 94.762,923 159.363,924 49.798,925 10.285,926 117.711,928 129.482,929 164.88,930 137.557,933 129.482,934 137.557,937 28.59,938 110.029,939 26.262,941 129.482,942 171.128,943 131.309,946 129.482,947 27.499,948 103.81,950 171.128,951 129.482,952 171.128,953 131.309,955 0.59,956 0.357,957 0.21,958 0.115,959 26,960 11,961 0.043,962 2,963 2,964 1.167,965 3.9,966 266.912,967 0.167,968 24,969 132.606,974 16.748,975 6.34,976 2.727,977 0.33,978 171.128,979 17.407,980 4.389,982 5.7,984 1.92,986 128.05,987 431.92,988 45,995 1.672,996 4.688,997 1.404,999 42.814,1000 46.325,1001 0.287,1002 0.643,1003 0.811,1004 0.958,1005 1,1006 1,1007 5.078,1008 1.66,1009 5.964,1010 5.4,1011 4.554,1012 5.212,1013 0.542,1014 6.843,1015 4.505,1016 6.33,1017 1.422,1018 7.56,1019 4.425,1020 4.205,1021 5.075,1023 7.847,1024 4.121,1025 7.668,1026 1.252,1027 9.258,1028 3.429,1029 6.205,1030 7.522,1031 0.23,1032 11.019,1033 6.117,1034 9.047,1035 1.066,1036 11.017,1037 3.038,1038 6.698,1039 8.24,1041 12.883,1042 6.581,1043 10.458,1044 1,1045 12.815,1046 2.652,1047 8.178,1048 10.141,1049 0.089,1050 15.57,1051 8.056,1052 11.896,1053 0.692,1054 14.641,1055 2.136,1056 9.059,1057 11.277,1059 17.781,1060 8.911,1061 13.355,1062 -0.019,1063 16.488,1064 1.827,1065 10.342,1066 12.951,1067 0.033,1068 20.305,1069 10.185,1070 3.301,1071 -0.186,1072 18.35,1073 -0.051,1074 11.395,1075 14.293,1077 22.653,1078 11.216,1079 3.204,1080 11.58,1081 20.224,1082 -0.487,1083 12.607,1084 15.873,1085 0.012,1086 25.121,1087 12.415,1088 2.576,1089 11.301,1090 22.108,1091 4.685,1092 13.733,1093 17.313,1095 27.524,1096 13.521,1097 2.482,1098 8.408,1099 24,1100 4.239,1101 14.92,1102 18.856,1103 0.004,1104 29.972,1105 14.694,1106 2.086,1107 7.658,1108 25.898,1109 3.55,1110 16.077,1111 20.342,1113 32.396,1114 15.832,1115 1.962,1116 6.174,1117 27.801,1118 3.366,1119 17.258,1120 21.874,1121 0.002,1122 34.838,1123 16.997,1124 1.791,1125 5.884,1126 29.708,1127 2.882,1128 18.429,1129 23.383,1131 37.271,1132 18.15,1133 8721,1134 15212,1135 21.789,1136 30.398,1137 50.004,1138 49.454,1139 50.548,1140 49.093,1141 48.989,1142 68.217,1143 1.2,1144 147.825,1145 47.641,1146 5.544,1147 5.424,1148 6.706,1149 5.324,1150 5.301,1151 7.685,1152 1.2,1153 18.923,1154 5.244,1155 11.618,1156 1.563,1157 1.545,1158 1.58,1159 1.534,1160 1.531,1161 2.132,1162 0.038,1163 4.62,1164 1.489,1165 4.135,1166 4.138,1167 4.115,1168 4.04,1169 6.505,1170 4.056,1171 4.001,1172 4.018,1173 3.971,1174 3.92,1175 6.463,1176 3.93,1177 3.806,1178 3.845,1179 3.742,1180 3.717,1181 6.44,1182 3.718,1183 3.505,1184 3.522,1185 3.446,1186 3.404,1187 5.042,1188 3.408,1189 3.291,1190 3.316,1191 3.229,1192 3.15,1193 4.944,1194 3.168,1195 3.023,1196 3.03,1197 2.95,1198 2.822,1199 4.779,1200 2.835,1201 2.93,1202 2.979,1203 2.834,1204 2.784,1205 4.311,1206 2.799,1207 2.804,1208 2.876,1209 2.658,1210 2.69,1211 4.078,1212 2.674,1213 0.148,1214 0.107,1215 0.216,1216 0.134,1217 0.103,1218 4.721,1219 0.146,1220 3.424,1221 0.019,1222 6.904,1223 0.362,1224 4.284,1225 0.101,1226 3.301,1227 4.685,1228 0.6,1229 11.58,1230 3.244,1231 1.898,1232 1.891,1233 1.987,1234 1.994,1235 1.115,1236 1.977,1237 1.883,1238 1.865,1239 1.95,1240 1.97,1241 1.081,1242 1.969,1243 1.844,1244 1.809,1245 1.946,1246 1.951,1247 0.975,1248 1.96,1249 1.568,1250 1.555,1251 1.658,1252 1.717,1253 0.745,1254 1.692,1255 1.211,1256 1.196,1257 1.297,1258 1.396,1259 0.366,1260 1.364,1261 0.967,1262 0.945,1263 1.132,1264 1.212,1265 0.205,1266 1.163,1267 0.914,1268 0.89,1269 1.109,1270 1.136,1271 0.168,1272 1.118,1273 0.834,1274 0.774,1275 1.087,1276 1.044,1277 0.124,1278 1.051,1279 4.174,1281 5.533,1282 3.045,1283 7.089,1284 5.533,1285 8.736,1286 7.735,1287 10.43,1294 30.323,1305 30.063,1306 65.067,1307 145.63,1308 183.683,1309 216.968,1310 226.477,1311 226.477,1312 48.981,1313 8.1,1314 99.61,1315 99.61,1316 28,1317 12.902,1318 4.644,1319 3.807,1320 37.388,1321 95,1322 94,1323 0.191,1324 179.28,1325 309.24,1326 429.203,1327 37807,1329 19.25,1330 0.688,1331 0.518,1332 19.25,1333 14.495,1334 13.614,1335 0.425,1336 0.269,1337 8.502,1338 13.166,1339 8.366,1340 6.882,1341 13.614,1342 8.606,1343 12.652,1344 0.269,1345 0.136,1346 12.652,1347 6.404,1348 11.11,1349 0.166,1350 0.069,1351 11.11,1352 4.621,1353 10.194,1354 0.106,1355 0.035,1356 10.194,1357 3.375,1358 8.071,1359 0.066,1360 0.019,1361 8.071,1362 2.264,1363 0.29,1364 85.096,1365 0.214,1366 26.071,1367 0.554,1368 158,1369 479.475,1370 172.293,1371 467.097,1372 649.07,1373 436,1374 193,1375 494.645,1376 208.099,1377 499.666,1378 740.98,1379 473,1380 5.438}
{0 CHEMBL1089424,1 1.581,2 10.034,3 5.186,4 26.895,5 106.02,6 9.009,7 0.667,8 3.922,9 3.986,10 3.633,11 3.542,12 5.238,13 3.561,14 4.361,15 4.437,16 4.048,17 3.936,18 5.695,19 3.952,20 4.622,21 4.744,22 4.112,23 4.011,24 5.971,25 4.02,26 4.653,27 4.794,28 4.066,29 3.97,30 6.081,31 3.964,32 4.561,33 4.695,34 3.94,35 3.923,36 5.811,37 3.909,38 4.565,39 4.708,40 4.013,41 3.96,42 5.909,43 3.94,44 4.606,45 4.751,46 3.976,47 3.944,48 5.887,49 3.93,50 4.586,51 4.75,52 3.885,53 3.852,54 5.905,55 3.831,56 0.173,57 0.574,58 5.698,59 3.775,60 23.527,61 3.425,62 0.19,63 0.926,64 8.508,65 5.978,66 17.513,67 5.886,68 0.551,69 1.23,70 15.678,71 8.019,72 64.448,73 7.773,74 0.788,75 1.246,76 17.681,77 8.211,78 97.082,79 8.575,80 0.535,81 1.067,82 15.698,83 7.537,84 65.331,85 7.285,86 0.494,87 1.136,88 15.562,89 7.949,90 60.431,91 8.976,92 0.487,93 1.167,94 17.064,95 8.33,96 54.007,97 8.554,98 0.544,99 1.184,100 18.069,101 8.274,102 66.046,103 8.735,104 17,105 49,106 0.268,107 0.574,108 0.716,109 0.85,110 0.887,111 0.887,112 3.409,113 0.804,114 -4.14,115 -4.09,116 -3.87,119 53.5,135 1,136 1,142 10,143 3,144 5,152 2,157 1,172 10,175 7,180 5,183 14,187 6,190 1,192 1,195 12,199 5,202 2,203 2,204 5,207 13,211 1,212 2,217 2,220 14,224 5,227 1,228 1,229 4,232 12,237 4,242 6,245 11,250 1,253 1,255 6,258 9,266 1,268 6,271 7,275 1351,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 16.568,282 16.003,283 11.245,284 19.813,285 16.298,286 16.298,287 16.298,288 16.298,289 16.298,290 11.711,291 18.421,292 5.371,293 16.718,294 3.845,295 2.036,296 1.197,297 0.407,298 0.186,299 0.186,300 4.117,304 1,305 1,306 647,307 2.646,310 107.17,311 217.496,314 210.978,318 1.284,319 43.077,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 64,331 291,332 4.721,333 3.426,334 6.904,335 4.286,336 3.301,337 4.685,338 0.6,339 11.58,340 3.249,341 4.596,342 3.336,343 6.832,344 4.187,345 3.205,346 4.242,348 11.302,349 3.146,350 4.04,351 2.905,352 5.992,353 3.619,354 2.634,355 3.652,357 8.432,358 2.595,359 3.87,360 2.681,361 5.734,362 3.451,363 2.482,364 3.368,366 7.66,367 2.402,368 3.643,369 2.541,370 5.222,371 3.198,372 2.246,373 3.046,375 6.284,376 2.125,377 3.468,378 2.308,379 5.132,380 3.026,381 2.067,382 2.831,384 6.051,385 1.972,386 3.36,387 2.035,388 4.999,389 2.892,390 1.917,391 2.673,393 5.764,394 1.862,395 3.132,396 1.906,397 4.934,398 2.713,399 1.739,400 2.353,402 5.357,403 1.689,404 2.993,405 1.738,406 4.433,407 2.501,408 1.527,409 2.161,411 4.097,412 1.484,413 2.721,414 1.472,415 4.245,416 2.23,417 1.262,418 1.782,420 3.395,421 1.217,422 2.567,423 1.322,424 3.614,425 2.134,426 1.174,427 1.561,428 2.862,429 1.116,430 2.5,431 1,432 3.553,433 2,434 1,435 1.5,436 2.275,437 1,438 2.329,439 0.849,440 3.414,441 1.699,442 0.722,443 1.116,445 1.923,446 0.703,447 1.331,448 0.393,449 2.965,450 0.971,451 0.006,452 0.007,454 0.016,455 0.006,456 1.147,457 0.282,458 2.725,459 0.75,460 -0.164,461 -0.199,463 -0.396,464 -0.146,465 13.519,466 0.466,467 0.836,468 0.029,469 43.5,470 1.5,471 25,472 0.862,473 18.5,474 0.638,475 19.689,476 0.679,477 29.081,478 0.676,479 34.583,480 1.193,481 8.783,482 0.303,483 5.225,484 0.18,485 0.095,487 0.444,491 1,493 0.839,494 0.77,495 0.672,496 0.747,497 0.846,498 0.683,499 0.698,500 1.032,501 0.658,502 1.032,503 0.588,504 0.892,505 1.023,506 1.023,507 0.948,508 0.987,509 0.979,510 0.952,511 0.773,512 0.891,513 0.961,514 0.967,515 0.716,516 0.997,517 1.023,518 0.755,519 1.08,520 0.917,521 0.89,522 0.988,523 0.589,524 0.827,525 0.788,526 1.002,527 0.519,528 0.984,529 1.006,530 0.976,531 0.993,532 1.017,533 0.868,534 1.011,535 1.041,536 1.038,537 1.048,538 1.046,539 1.021,540 1.052,541 6,542 0.147,543 3.556,544 3.181,545 1.779,546 1.119,547 0.649,548 0.644,549 0.47,550 0.28,551 10317,552 33601,553 2.15,554 32.6,556 11,559 3,564 1.726,565 2,566 3.273,567 0.857,573 67.984,574 1.581,575 3.391,576 4.229,577 5.019,578 5.24,579 5.24,580 2.667,581 4.513,582 4.831,583 3.414,584 1385.96,585 8.448,586 18079.5,591 233.329,592 1.44,593 4.786,594 0.182,595 0.008,596 0.073,597 0.064,598 0.039,599 0.027,600 0.014,601 0.015,602 0.012,603 0.01,604 0.443,605 0.5,606 0.88,607 0.562,608 144.284,609 -0.124,610 0.075,611 -0.027,612 0.145,613 -0.171,614 0.108,615 -0.032,616 -0.152,617 0.011,618 -0.138,619 0.003,620 -0.076,621 -0.079,622 -0.056,623 -0.074,624 -0.048,625 -0.094,626 -0.054,627 0.155,628 0.029,629 -0.023,630 -0.023,631 0.136,632 -0.057,633 -0.151,634 0.036,635 -0.179,636 0.022,637 -0.152,638 -0.057,639 0.149,640 0.009,641 0.112,642 -0.043,643 0.146,644 -0.005,645 -0.117,646 -0.097,647 -0.046,648 -0.045,649 -0.071,650 -0.031,651 -0.085,652 -0.087,653 -0.031,654 -0.058,655 -0.06,656 -0.039,657 2.013,658 5.375,659 0.828,660 23.986,661 1.026,662 1.107,663 2.913,664 8.483,665 0.723,666 3.526,667 3.912,668 4.248,669 4.595,670 4.844,671 5.004,672 5.17,673 5.371,674 5.489,675 5.568,676 5.973,677 0.72,678 387.38,679 3.526,680 5.106,681 5.994,682 6.911,683 7.817,684 8.741,685 9.655,686 10.582,687 11.501,688 12.429,689 2.3,698 1,703 2,704 10,707 1,709 8,711 22,714 1,728 3,730 1,731 43,733 24,734 3,735 33,737 47,738 23,739 20,740 8,741 10,742 3,746 5,747 7,761 23,766 2,773 1,774 1,775 2,779 1,780 1,781 14,782 6,783 3,784 6,790 1,794 0.6,795 4,811 2,812 3,815 2,831 1,832 1,840 3,846 1,848 29,853 3,869 1,870 9.3,872 3,875 1,877 14.5,878 7.776,879 6.139,880 2.425,881 5.339,882 1.652,883 0.997,884 4.016,885 13.531,886 3.85,887 4.557,888 5.244,889 5.918,890 6.505,891 6.929,892 7.428,893 7.96,894 8.385,895 8.818,896 0.857,897 50,898 10.752,900 4.909,901 8.069,902 19.764,904 16.818,905 2.569,906 74.5,909 1,910 129.482,911 141.288,912 16.786,914 137.557,915 14.96,917 141.288,918 267.039,919 31.746,922 104.239,923 130.807,924 50.3,925 25.245,926 129.482,928 129.482,929 158.073,930 152.517,933 144.442,934 137.557,937 16.786,938 131.812,939 9.476,941 144.442,942 154.343,943 141.288,946 129.482,947 37.049,948 104.239,950 169.303,951 129.482,952 169.303,953 141.288,955 0.597,956 0.356,957 0.203,958 0.113,959 27,960 12,961 0.043,962 2,963 2,964 1.167,965 3.96,966 279.415,967 0.167,968 24,969 136.881,974 17.679,975 6.588,976 2.919,977 0.264,978 169.303,979 15.929,982 5.679,984 1.349,986 128.05,987 440.073,988 46,995 1.625,996 4.658,997 1.295,999 44.109,1000 47.582,1001 0.291,1002 0.625,1003 0.779,1004 0.925,1005 0.966,1006 0.966,1007 5.109,1008 1.739,1009 6.009,1010 5.764,1011 4.595,1012 5.244,1013 0.542,1014 6.887,1015 4.546,1016 6.369,1017 1.527,1018 7.607,1019 5.357,1020 4.29,1021 5.156,1023 7.888,1024 4.196,1025 7.712,1026 1.262,1027 9.304,1028 4.097,1029 6.252,1030 7.56,1031 0.23,1032 11.045,1033 6.168,1034 9.093,1035 1.174,1036 11.059,1037 3.395,1038 6.758,1039 8.296,1041 12.898,1042 6.638,1043 10.505,1044 1,1045 12.852,1046 2.862,1047 8.219,1048 10.176,1049 0.089,1050 15.581,1051 8.104,1052 11.941,1053 0.722,1054 14.673,1055 2.275,1056 9.099,1057 11.316,1059 17.786,1060 8.956,1061 13.397,1062 0.006,1063 16.514,1064 1.923,1065 10.373,1066 12.979,1067 0.033,1068 20.309,1069 10.227,1070 3.301,1071 -0.164,1072 18.371,1073 0.016,1074 11.422,1075 14.32,1077 22.656,1078 11.254,1079 3.205,1080 11.58,1081 20.241,1082 -0.396,1083 12.628,1084 15.894,1085 0.012,1086 25.123,1087 12.452,1088 2.634,1089 11.302,1090 22.122,1091 4.685,1092 13.751,1093 17.331,1095 27.525,1096 13.556,1097 2.482,1098 8.432,1099 24.01,1100 4.242,1101 14.936,1102 18.872,1103 0.004,1104 29.973,1105 14.728,1106 2.246,1107 7.66,1108 25.906,1109 3.652,1110 16.091,1111 20.356,1113 32.397,1114 15.865,1115 2.067,1116 6.284,1117 27.807,1118 3.368,1119 17.27,1120 21.885,1121 0.002,1122 34.839,1123 17.03,1124 1.917,1125 6.051,1126 29.713,1127 3.046,1128 18.439,1129 23.392,1131 37.272,1132 18.183,1133 9611,1134 17473,1135 22.194,1136 31.091,1137 51.637,1138 51.489,1139 52.8,1140 50.75,1141 50.563,1142 69.954,1143 1.2,1144 153.995,1145 49.132,1146 5.547,1147 5.426,1148 6.585,1149 5.307,1150 5.301,1151 7.685,1152 1.2,1153 18.925,1154 5.249,1155 13.967,1156 1.565,1157 1.56,1158 1.6,1159 1.538,1160 1.532,1161 2.12,1162 0.036,1163 4.667,1164 1.489,1165 4.137,1166 4.14,1167 4.117,1168 4.047,1169 8.201,1170 4.061,1171 4.009,1172 4.023,1173 3.979,1174 3.932,1175 6.505,1176 3.942,1177 3.841,1178 3.868,1179 3.787,1180 3.778,1181 6.463,1182 3.775,1183 3.507,1184 3.524,1185 3.449,1186 3.405,1187 6.44,1188 3.41,1189 3.297,1190 3.32,1191 3.247,1192 3.15,1193 5.026,1194 3.171,1195 3.023,1196 3.031,1197 2.952,1198 2.824,1199 4.897,1200 2.839,1201 2.938,1202 2.984,1203 2.862,1204 2.785,1205 4.604,1206 2.802,1207 2.854,1208 2.925,1209 2.727,1210 2.735,1211 4.273,1212 2.715,1213 0.143,1214 0.104,1215 0.209,1216 0.13,1217 0.1,1218 4.721,1219 0.142,1220 3.426,1221 0.018,1222 6.904,1223 0.351,1224 4.286,1225 0.098,1226 3.301,1227 4.685,1228 0.6,1229 11.58,1230 3.249,1231 1.911,1232 1.895,1233 1.999,1234 1.994,1235 1.128,1236 1.991,1237 1.892,1238 1.883,1239 1.98,1240 1.988,1241 1.085,1242 1.977,1243 1.877,1244 1.853,1245 1.948,1246 1.952,1247 1.063,1248 1.963,1249 1.57,1250 1.558,1251 1.653,1252 1.718,1253 0.746,1254 1.692,1255 1.205,1256 1.192,1257 1.28,1258 1.397,1259 0.347,1260 1.357,1261 0.965,1262 0.945,1263 1.181,1264 1.213,1265 0.218,1266 1.162,1267 0.913,1268 0.889,1269 1.114,1270 1.136,1271 0.179,1272 1.116,1273 0.886,1274 0.821,1275 1.087,1276 1.062,1277 0.14,1278 1.107,1279 4.205,1281 5.572,1282 3.045,1283 7.13,1284 5.533,1285 8.776,1286 7.735,1287 10.47,1291 13.375,1294 30.326,1305 30.952,1306 67.984,1307 145.792,1308 181.845,1309 215.82,1310 225.329,1311 225.329,1312 58.319,1313 8.192,1314 86.72,1315 86.72,1316 28,1317 12.934,1318 4.644,1319 3.807,1320 39.335,1321 101,1322 113,1323 0.187,1324 183.276,1325 321.61,1326 438.953,1327 42344,1328 2.3,1329 20.121,1330 0.694,1331 0.515,1332 19.25,1333 14.926,1334 14.008,1335 0.424,1336 0.268,1337 8.732,1338 13.511,1339 8.6,1340 7.054,1341 13.614,1342 8.846,1343 13.274,1344 0.271,1345 0.137,1346 12.652,1347 6.695,1348 11.52,1349 0.167,1350 0.07,1351 11.11,1352 4.831,1353 10.346,1354 0.106,1355 0.036,1356 10.194,1357 3.505,1358 8.3,1359 0.066,1360 0.019,1361 8.071,1362 2.382,1363 0.285,1364 87.871,1365 0.212,1366 26.902,1367 0.54,1368 164,1369 553.941,1370 180.403,1371 512.141,1372 698.1,1373 476,1374 200,1375 521.514,1376 216.15,1377 521.136,1378 772.24,1379 493,1380 5.801}
{0 CHEMBL1089428,1 1.549,2 14.737,3 2.761,4 7.624,5 144.607,6 7.324,7 0.512,8 4.363,9 4.494,10 3.929,11 3.853,12 5.397,13 3.847,14 4.933,15 5.123,16 4.279,17 4.259,18 5.943,19 4.227,20 5.176,21 5.412,22 4.272,23 4.383,24 6.091,25 4.306,26 5.175,27 5.427,28 4.259,29 4.36,30 6.113,31 4.276,32 5.16,33 5.401,34 4.295,35 4.355,36 6.143,37 4.293,38 5.131,39 5.345,40 4.321,41 4.414,42 6.12,43 4.35,44 5.184,45 5.401,46 4.262,47 4.47,48 6.093,49 4.369,50 5.229,51 5.48,52 4.148,53 4.421,54 6.097,55 4.279,56 0.025,57 1.126,58 14.908,59 5.74,60 8.827,61 8.1,62 0.465,63 1.809,64 29.509,65 9.514,66 35.98,67 13.79,68 0.501,69 2.115,70 39.856,71 12.363,72 44.196,73 18.591,74 0.416,75 2.093,76 40.073,77 12.883,78 50.39,79 19.52,80 0.496,81 2.051,82 39.631,83 12.059,84 59.369,85 18.15,86 0.511,87 2.093,88 37.005,89 12.148,90 52.161,91 17.628,92 0.454,93 2.172,94 38.592,95 13.972,96 40.716,97 20.195,98 0.411,99 2.11,100 42.044,101 16.001,102 56.445,103 23.289,104 2,105 59,106 0.24,107 0.571,108 0.724,109 0.809,110 0.814,111 0.818,112 3.668,113 0.923,114 -4.24,115 -4.18,116 -3.95,119 40,121 2,125 8,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 6,174 3,175 11,178 2,179 1,180 4,183 5,186 2,187 7,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 2,212 11,217 2,220 3,223 1,224 6,227 3,229 1,232 8,236 4,237 4,245 10,249 2,250 6,253 4,255 1,258 2,263 10,268 1,271 2,275 3226,276 26.515,277 26.515,278 26.515,279 26.515,280 26.515,281 23.851,282 32.974,283 16.003,284 27.278,285 21.323,286 21.323,287 21.323,288 21.323,289 21.323,290 17.236,291 44.227,292 7.71,293 22.533,294 4.58,295 2.451,296 1.467,297 0.914,298 0.886,299 0.857,300 4.388,305 1,306 1253,307 3.464,310 205.89,311 486.677,314 168.427,318 2.199,319 28.981,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 82,331 560,332 4.674,333 3.562,334 6.841,335 4.203,336 3.256,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.35,343 6.112,344 3.778,345 2.803,346 3.792,347 0.86,348 8.95,349 2.734,350 3.977,351 2.936,352 6.099,353 3.614,354 2.69,355 3.479,356 0.8,357 8.836,358 2.543,359 3.905,360 2.839,361 5.568,362 3.599,363 2.643,364 3.307,365 0.8,366 7.635,367 2.459,368 3.757,369 2.775,370 5.362,371 3.446,372 2.519,373 3.139,374 0.247,375 7.01,376 2.333,377 3.534,378 2.548,379 5.323,380 3.365,381 2.4,382 2.655,384 6.924,385 2.312,386 3.405,387 2.413,388 5.117,389 2.96,390 2.004,391 2.542,393 5.841,394 1.926,395 3.178,396 2.317,397 4.678,398 2.902,399 1.936,400 2.27,402 5.114,403 1.839,404 2.968,405 1.918,406 4.418,407 2.46,408 1.54,409 2.176,411 4.261,412 1.426,413 2.844,414 1.535,415 4.365,416 2.443,417 1.495,418 1.975,420 3.961,421 1.402,422 2.751,423 1.519,424 3.762,425 2.315,426 1.374,427 1.823,428 2.995,429 1.286,430 2.5,431 1.418,432 3.569,433 2.213,434 1.267,435 1.5,436 2.905,437 1.19,438 2.5,439 1.256,440 3.52,441 2.073,442 1.147,443 1.5,445 2.744,446 1.056,447 2.478,448 1.247,449 3.423,450 2,451 1,452 1.472,454 2.275,455 1,456 2.305,457 1,458 3.414,459 1.984,460 1,461 1.3,463 2.136,464 0.983,465 17.867,466 0.47,467 0.705,468 0.019,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 33.632,476 0.885,477 40.933,478 0.585,479 39.914,480 1.05,481 9.726,482 0.256,483 9,484 0.237,485 0.019,487 0.291,493 0.876,494 1.584,495 0.785,496 1.199,497 0.599,498 1.007,499 1.091,500 1.1,501 0.973,502 0.957,503 0.629,504 0.946,505 1.111,506 1.098,507 1.026,508 0.976,509 0.893,510 0.983,511 0.787,512 1.053,513 0.885,514 0.994,515 0.784,516 0.951,517 1.124,518 1.002,519 0.912,520 0.87,521 1.329,522 0.854,523 1.117,524 0.965,525 1.059,526 0.958,527 1.146,528 0.987,529 0.805,530 1.042,531 1.139,532 1.169,533 0.636,534 1.193,535 0.457,536 1.085,537 0.964,538 1.245,539 0.472,540 1.2,541 6,542 0.176,543 3.333,544 1.792,545 1.614,546 1.465,547 0.815,548 0.294,549 0.398,550 0.294,551 25577,552 60566,553 2.208,554 45.7,556 23,557 1,558 2,559 2,561 4,564 1.789,565 2.151,566 3.796,567 0.175,573 108.444,574 1.549,575 3.678,576 4.663,577 5.215,578 5.244,579 5.272,580 3.263,581 4.669,582 5.211,583 4.014,584 2821.57,585 9.195,586 47853.2,591 429.05,592 1.03,593 5.213,594 0.14,595 0.004,596 0.056,597 0.031,598 0.029,599 0.025,600 0.013,601 0.005,602 0.008,603 0.007,604 0.319,605 0.17,606 0.75,607 0.276,608 212.327,609 -0.037,610 -0.342,611 0.08,612 -0.129,613 0.013,614 -0.026,615 0.02,616 0.05,617 -0.024,618 0.024,619 0.101,620 -0.006,621 -0.103,622 -0.062,623 -0.049,624 -0.003,625 -0.022,626 -0.016,627 0.051,628 -0.04,629 0.088,630 -0.015,631 0.097,632 0.035,633 -0.065,634 0.019,635 0.079,636 0.096,637 -0.017,638 0.111,639 -0.098,640 0.124,641 -0.103,642 0.032,643 -0.064,644 -0.024,645 -0.017,646 0.024,647 -0.211,648 -0.14,649 -0.08,650 -0.192,651 0.204,652 -0.135,653 -0.019,654 -0.194,655 0.131,656 -0.154,657 1.98,658 5.378,659 0.842,660 53.983,661 1.001,662 1.134,663 3.007,664 9.042,665 0.658,666 3.784,667 4.094,668 4.382,669 4.673,670 4.898,671 5.037,672 5.263,673 5.455,674 5.595,675 5.756,676 8.594,677 0.627,678 512.68,679 3.784,680 5.323,681 6.176,682 7.05,683 7.92,684 8.805,685 9.686,686 10.577,687 11.466,688 12.364,689 11.4,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 70,733 23,734 1,735 43,737 75,738 28,739 17,740 2,741 4,746 6,747 7,751 1,755 2,758 2,761 18,762 10,766 1,771 1,775 1,781 32,782 9,783 2,784 10,790 8,794 0.833,795 2,805 1,806 1,807 1,808 1,811 2,812 4,815 1,836 1,839 1,840 5,848 38,854 10,855 2,856 1,859 2,870 2.9,873 1,874 1,877 17.667,878 12.367,879 8.306,880 4.385,881 3.988,882 1.459,883 1.02,884 7.607,885 12.674,886 4.025,887 4.598,888 5.184,889 5.802,890 6.353,891 6.724,892 7.232,893 7.701,894 8.038,895 8.457,896 0.9,897 57,898 14.074,900 6.004,901 7.575,902 27.464,904 22.924,905 2.075,906 78.833,910 353.133,911 142.283,912 94.526,914 36.145,917 142.283,918 389.278,919 94.526,921 62.91,922 75.381,923 111.759,924 39.843,925 18.375,926 317.82,928 353.133,929 236.809,930 36.145,933 308.377,934 72.229,935 11,937 87.743,938 96.381,939 50.357,941 353.133,942 130.671,943 142.283,946 353.133,947 48.807,948 101.624,949 36.022,950 86.501,951 353.133,952 130.671,953 142.283,955 0.574,956 0.332,957 0.185,958 0.098,959 29,960 11,961 0.093,962 7,963 1,964 1.063,965 4.989,966 379.267,967 0.063,968 32,969 181.421,974 24.956,975 11.583,976 5.895,977 2.026,978 128.772,979 18.663,980 14.008,984 3.886,985 2.252,986 36.022,987 626.087,988 55,993 12.378,997 -0.313,999 70.072,1000 79.388,1001 0.253,1002 0.6,1003 0.761,1004 0.851,1005 0.855,1006 0.86,1007 5.26,1008 1.936,1009 6.133,1010 5.841,1011 4.779,1012 5.286,1013 2.219,1014 6.921,1015 4.674,1016 6.433,1017 1.54,1018 7.666,1019 5.114,1020 4.205,1021 4.987,1022 1.404,1023 7.751,1024 4.049,1025 7.722,1026 1.495,1027 9.3,1028 4.261,1029 6.34,1030 7.453,1031 2.581,1032 10.881,1033 6.132,1034 9.048,1035 1.374,1036 10.998,1037 3.961,1038 6.648,1039 8.07,1040 2.382,1041 12.608,1042 6.389,1043 10.412,1044 1.267,1045 12.739,1046 2.995,1047 8.185,1048 9.975,1049 3.295,1050 15.239,1051 7.876,1052 11.803,1053 1.147,1054 14.511,1055 2.905,1056 8.912,1057 11.041,1058 3.421,1059 17.35,1060 8.552,1061 13.215,1062 1,1063 16.306,1064 2.744,1065 10.203,1066 12.716,1067 4.17,1068 19.825,1069 9.794,1070 3.256,1071 1,1072 18.119,1073 2.275,1074 11.141,1075 14.012,1076 4.467,1077 22.107,1078 10.68,1079 2.803,1080 11.398,1081 19.946,1082 2.136,1083 12.332,1084 15.59,1085 5.115,1086 24.537,1087 11.822,1088 2.69,1089 8.95,1090 21.786,1091 4.627,1092 13.377,1093 17.004,1094 5.504,1095 26.897,1096 12.814,1097 2.643,1098 8.836,1099 23.636,1100 3.792,1101 14.535,1102 18.545,1103 6.092,1104 29.318,1105 13.92,1106 2.519,1107 7.635,1108 25.495,1109 3.479,1110 15.635,1111 20.017,1112 6.531,1113 31.715,1114 14.967,1115 2.4,1116 7.01,1117 27.361,1118 3.307,1119 16.786,1120 21.545,1121 7.084,1122 34.137,1123 16.065,1124 2.004,1125 6.924,1126 29.234,1127 3.139,1128 17.916,1129 23.045,1130 7.551,1131 36.55,1132 17.141,1133 23329,1134 36151,1135 30.107,1136 46.091,1137 63.89,1138 65.103,1139 64.152,1140 64.022,1141 63.987,1142 81.444,1143 8.726,1144 179.513,1145 60.687,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.256,1151 7.627,1152 2.912,1153 18.809,1154 5.085,1155 8.475,1156 1.486,1157 1.514,1158 1.492,1159 1.489,1160 1.488,1161 1.894,1162 0.203,1163 4.175,1164 1.411,1165 4.145,1166 4.191,1167 4.117,1168 4.008,1169 7.431,1170 4.029,1171 3.914,1172 3.955,1173 3.861,1174 3.818,1175 5.083,1176 3.821,1177 3.86,1178 3.92,1179 3.792,1180 3.742,1181 4.908,1182 3.75,1183 3.83,1184 3.88,1185 3.711,1186 3.673,1187 4.716,1188 3.671,1189 3.739,1190 3.798,1191 3.623,1192 3.516,1193 4.615,1194 3.533,1195 3.451,1196 3.509,1197 3.397,1198 3.231,1199 4.407,1200 3.252,1201 3.354,1202 3.415,1203 3.249,1204 3.127,1205 4.298,1206 3.15,1207 3.162,1208 3.228,1209 3.045,1210 2.954,1211 4.077,1212 2.985,1213 0.109,1214 0.083,1215 0.159,1216 0.098,1217 0.076,1218 4.674,1219 0.108,1220 3.562,1221 0.039,1222 6.841,1223 0.265,1224 4.203,1225 0.072,1226 3.256,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.921,1233 2.031,1234 2.09,1235 1.23,1236 2.07,1237 1.827,1238 1.786,1239 1.942,1240 1.993,1241 1.211,1242 1.979,1243 1.793,1244 1.754,1245 1.926,1246 1.942,1247 1.193,1248 1.941,1249 1.689,1250 1.619,1251 1.891,1252 1.924,1253 1.104,1254 1.919,1255 1.577,1256 1.527,1257 1.86,1258 1.772,1259 0.948,1260 1.793,1261 1.575,1262 1.507,1263 1.727,1264 1.751,1265 0.908,1266 1.76,1267 1.417,1268 1.343,1269 1.628,1270 1.647,1271 0.847,1272 1.648,1273 1.25,1274 1.203,1275 1.513,1276 1.556,1277 0.825,1278 1.507,1279 4.466,1281 5.778,1282 3.045,1283 7.279,1284 5.283,1285 8.867,1286 7.286,1287 10.505,1295 9.859,1296 5.667,1297 5.593,1300 4.814,1305 43.922,1306 108.444,1307 257.476,1308 326.379,1309 365.05,1310 367.05,1311 369.05,1312 52.782,1313 8.686,1314 100.44,1315 100.44,1316 34,1317 12.89,1318 4.585,1319 3.7,1320 53.039,1321 189,1322 226,1323 0.13,1324 265.141,1325 451.74,1326 638.704,1327 81951,1329 25.736,1330 0.677,1331 0.562,1332 25.736,1333 21.344,1334 18.725,1335 0.435,1336 0.308,1337 13.012,1338 17.886,1339 12.825,1340 10.526,1341 18.725,1342 13.232,1343 16.548,1344 0.28,1345 0.164,1346 16.548,1347 9.658,1348 14.156,1349 0.179,1350 0.09,1351 14.156,1352 7.104,1353 12.202,1354 0.115,1355 0.048,1356 12.202,1357 5.062,1358 9.635,1359 0.072,1360 0.024,1361 9.635,1362 3.201,1363 0.207,1364 117.825,1365 0.182,1366 34.793,1367 0.349,1368 204,1369 562.007,1370 225.939,1371 540.835,1372 754.19,1373 512,1374 240,1375 565.625,1376 262.942,1377 569.252,1378 838.93,1379 538,1380 7.523}
{0 CHEMBL1089443,1 1.544,2 8.852,3 2.49,4 6.202,5 104.484,6 7.067,7 0.533,8 4.059,9 4.187,10 3.592,11 3.52,12 5.099,13 3.512,14 4.622,15 4.826,16 3.937,17 3.912,18 5.598,19 3.888,20 4.821,21 5.033,22 3.974,23 4.064,24 5.773,25 3.995,26 4.915,27 5.181,28 3.952,29 4.067,30 5.791,31 3.976,32 4.839,33 5.081,34 4.001,35 4.063,36 5.795,37 3.996,38 4.829,39 5.033,40 4.013,41 4.128,42 5.774,43 4.061,44 4.935,45 5.163,46 3.913,47 4.141,48 5.85,49 4.026,50 4.917,51 5.174,52 3.75,53 4.042,54 5.748,55 3.898,56 0.019,57 0.801,58 11.739,59 4.361,60 8.773,61 6.253,62 0.333,63 1.27,64 22.816,65 6.746,66 23.796,67 10.079,68 0.327,69 1.487,70 27.838,71 8.904,72 31.943,73 13.371,74 0.348,75 1.562,76 31.623,77 9.603,78 36.93,79 15.119,80 0.448,81 1.503,82 28.912,83 8.666,84 43.253,85 13.597,86 0.219,87 1.563,88 27.377,89 8.88,90 24.727,91 13.448,92 0.513,93 1.581,94 31.513,95 10.625,96 37.854,97 15.709,98 0.171,99 1.423,100 31.404,101 11.413,102 29.861,103 16.732,104 13,105 42,106 0.258,107 0.58,108 0.744,109 0.82,110 0.82,111 0.82,112 3.341,113 0.925,114 -4,115 -3.95,116 -3.74,119 38.5,124 2,125 6,142 5,143 2,144 1,147 1,149 1,151 1,161 1,172 5,174 3,175 7,180 2,183 4,186 2,187 7,192 2,195 2,198 3,199 4,204 1,207 1,211 2,212 9,215 2,220 3,224 3,232 3,236 4,237 4,240 2,242 1,245 2,250 4,255 1,258 1,263 2,275 1049,276 18.361,277 18.361,278 18.361,279 18.361,280 18.361,281 16.551,282 20.246,283 10.96,284 18.992,285 14.857,286 14.857,287 14.857,288 14.857,289 14.857,290 12.035,291 23.524,292 5.266,293 15.874,294 4.157,295 2.234,296 1.252,297 0.798,298 0.798,299 0.798,300 4.039,303 1,304 1,305 1,306 515,307 3,310 57.673,311 217.479,314 103.177,318 1.276,319 21,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 239,332 4.675,333 3.35,334 6.842,335 4.203,336 3.256,337 4.627,338 0.86,339 11.399,340 3.085,341 4.176,342 2.921,343 6.128,344 3.771,345 2.796,346 3.805,347 0.8,348 9.028,349 2.726,350 3.905,351 2.855,352 6.1,353 3.594,354 2.68,355 3.29,356 0.8,357 8.835,358 2.446,359 3.601,360 2.57,361 5.144,362 3.186,363 2.251,364 2.995,366 6.117,367 2.104,368 3.268,369 2.424,370 5.05,371 3.123,372 2.195,373 2.33,375 5.906,376 2.029,377 3.108,378 2.306,379 4.651,380 2.865,381 1.944,382 2.152,384 5.07,385 1.785,386 2.939,387 1.891,388 4.347,389 2.431,390 1.495,391 2.133,393 4.068,394 1.405,395 2.74,396 1.532,397 4.317,398 2.381,399 1.463,400 1.824,402 3.868,403 1.325,404 2.63,405 1.33,406 3.753,407 2.173,408 1.211,409 1.679,411 2.911,412 1.164,413 2.437,414 1.256,415 3.477,416 2.021,417 1.085,418 1.42,420 2.539,421 1.008,422 2.106,423 1.154,424 3.421,425 1.952,426 1,427 1.032,428 2.136,429 0.946,430 2,431 0.9,432 3.247,433 1.774,434 0.827,435 1,436 2.05,437 0.78,438 1.594,439 0.525,440 2.98,441 1.37,442 0.422,443 0.482,445 1.014,446 0.399,447 1.022,448 -0.057,449 2.74,450 0.614,451 -0.331,452 -0.416,454 -0.827,455 -0.31,456 0.914,457 -0.21,458 2.563,459 0.514,460 -0.412,461 -0.511,463 -0.991,464 -0.376,465 12.667,466 0.469,467 0.644,468 0.024,469 34,470 1.259,471 15,472 0.556,473 19,474 0.704,475 22.556,476 0.835,477 29.933,478 0.576,479 25.778,480 0.955,481 6.842,482 0.253,483 6.272,484 0.232,485 0.105,487 0.332,493 0.96,494 1.67,495 0.829,496 1.274,497 0.931,498 1.068,499 1.293,500 0.938,501 0.938,502 0.779,503 0.724,504 0.786,505 1.068,506 1.242,507 1.039,508 1.086,509 0.953,510 1.064,511 0.733,512 1.012,513 0.833,514 0.895,515 0.777,516 0.869,517 0.785,518 0.954,519 0.858,520 0.814,521 0.669,522 0.826,523 1.01,524 1.231,525 1.126,526 1.15,527 0.779,528 1.133,529 0.798,530 0.992,531 1.19,532 1.182,533 0.834,534 1.229,535 0.702,536 1.176,537 0.956,538 1.277,539 0.749,540 1.18,541 5,542 0.12,543 2.889,544 1.382,545 1.378,546 1.198,547 0.638,548 0.354,549 0.352,550 0.172,551 8045,552 19236,553 2.12,554 48.1,556 23,557 1,559 1,564 1.71,565 2,566 3.155,567 -0.309,568 1,569 1,573 80.278,574 1.544,575 3.466,576 4.448,577 4.902,578 4.902,579 4.902,580 2.461,581 4.533,582 4.721,583 3.32,584 1165.39,585 8.25,586 14684.5,588 1,590 1,591 296.423,592 1.352,593 4.694,594 0.167,595 0.009,596 0.069,597 0.033,598 0.034,599 0.027,600 0.014,601 0.01,602 0.011,603 0.008,604 0.382,605 0.33,606 1,607 1.057,608 131.17,609 -0.042,610 -0.412,611 0.077,612 -0.16,613 -0.073,614 -0.048,615 -0.124,616 0.221,617 0.047,618 0.19,619 0.044,620 0.154,621 -0.07,622 -0.153,623 -0.077,624 -0.08,625 -0.041,626 -0.086,627 0.044,628 0.008,629 0.136,630 0.064,631 0.021,632 0.106,633 0.092,634 0.128,635 0.111,636 0.152,637 0.136,638 0.14,639 -0.172,640 -0.069,641 -0.191,642 -0.136,643 -0.107,644 -0.153,645 0.091,646 0.077,647 -0.239,648 -0.177,649 -0.06,650 -0.245,651 0.052,652 -0.25,653 -0.01,654 -0.236,655 0.098,656 -0.146,657 1.452,658 3.872,659 0.778,660 24.639,661 1,662 1.136,663 2.766,664 7.648,665 0.645,666 3.434,667 3.761,668 4.043,669 4.357,670 4.644,671 4.796,672 5.017,673 5.193,674 5.273,675 5.328,676 5.709,677 0.612,678 367.5,679 3.434,680 4.977,681 5.832,682 6.72,683 7.603,684 8.504,685 9.401,686 10.309,687 11.215,688 12.127,689 9.6,692 1,695 1,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,726 1,728 1,731 52,733 16,734 1,735 30,737 55,738 20,739 12,740 2,741 4,746 4,747 5,761 12,762 8,777 1,778 1,781 25,782 6,783 1,784 7,790 5,794 0.75,795 2,806 1,807 1,811 1,812 3,815 1,836 1,839 1,840 3,844 2,848 27,853 1,854 6,856 1,859 2,870 3.8,872 1,874 1,877 13.5,878 9.867,879 5.889,880 3.071,881 3.014,882 1.398,883 0.97,884 5.298,885 10.592,886 3.664,887 4.273,888 4.902,889 5.557,890 6.144,891 6.575,892 7.092,893 7.553,894 7.861,895 8.195,896 0.833,897 42,898 9.985,900 4.193,901 7.593,902 19.422,904 15.921,905 2.093,906 56.5,909 1,910 282.506,911 102.959,912 41.719,914 53.683,917 102.959,918 336.19,919 41.719,920 16.793,921 17.608,922 56.429,923 88.97,924 16.234,925 14.099,926 270.735,928 282.506,929 144.677,930 53.683,933 284.834,934 42.683,935 11,937 24.346,938 84.432,939 33.571,941 282.506,942 95.402,943 102.959,946 282.506,947 29.737,948 81.369,950 87.254,951 282.506,952 95.402,953 102.959,955 0.578,956 0.325,957 0.181,958 0.108,959 21,960 9,961 0.091,962 5,963 1,964 1.095,965 3.813,966 241.209,967 0.095,968 21,969 122.382,974 18.231,975 7.846,976 3.929,977 1.978,978 93.503,979 11.29,980 9.713,984 2.591,985 2.174,986 42.683,987 480.867,988 38,999 52,1000 59.062,1001 0.271,1002 0.608,1003 0.78,1004 0.86,1005 0.86,1006 0.86,1007 4.905,1008 1.463,1009 5.814,1010 4.068,1011 4.443,1012 4.959,1013 1.481,1014 6.635,1015 4.32,1016 6.103,1017 1.211,1018 7.372,1019 3.868,1020 4.007,1021 4.796,1022 0.57,1023 7.554,1024 3.818,1025 7.409,1026 1.085,1027 9.033,1028 2.911,1029 6.033,1030 7.196,1031 1.104,1032 10.69,1033 5.801,1034 8.756,1035 1,1036 10.757,1037 2.539,1038 6.431,1039 7.924,1040 0.479,1041 12.481,1042 6.143,1043 10.141,1044 0.827,1045 12.523,1046 2.136,1047 7.926,1048 9.796,1049 0.854,1050 15.135,1051 7.594,1052 11.554,1053 0.422,1054 14.319,1055 2.05,1056 8.719,1057 10.945,1058 0.346,1059 17.284,1060 8.337,1061 12.989,1062 -0.331,1063 16.137,1064 1.014,1065 9.998,1066 12.604,1067 0.661,1068 19.777,1069 9.571,1070 3.256,1071 -0.412,1072 17.972,1073 -0.827,1074 10.984,1075 13.953,1076 0.237,1077 22.079,1078 10.506,1079 2.796,1080 11.399,1081 19.82,1082 -0.991,1083 12.18,1084 15.526,1085 0.505,1086 24.519,1087 11.655,1088 2.68,1089 9.028,1090 21.678,1091 4.627,1092 13.258,1093 16.969,1094 0.158,1095 26.887,1096 12.682,1097 2.251,1098 8.835,1099 23.545,1100 3.805,1101 14.426,1102 18.509,1103 0.382,1104 29.313,1105 13.8,1106 2.195,1107 6.117,1108 25.418,1109 3.29,1110 15.549,1111 19.997,1112 0.104,1113 31.713,1114 14.87,1115 1.944,1116 5.906,1117 27.298,1118 2.995,1119 16.71,1120 21.527,1121 0.285,1122 34.137,1123 15.98,1124 1.495,1125 5.07,1126 29.182,1127 2.33,1128 17.856,1129 23.035,1130 0.068,1131 36.552,1132 17.072,1133 7756,1134 12130,1135 20.285,1136 33.552,1137 45.421,1138 45.364,1139 46.112,1140 45.335,1141 45.252,1142 57.539,1143 4.92,1144 129.88,1145 42.404,1146 5.675,1147 5.35,1148 6.643,1149 5.307,1150 5.256,1151 7.627,1152 1.72,1153 18.809,1154 5.085,1155 11.873,1156 1.514,1157 1.512,1158 1.537,1159 1.511,1160 1.508,1161 1.918,1162 0.164,1163 4.329,1164 1.413,1165 4.14,1166 4.185,1167 4.113,1168 4.002,1169 6.471,1170 4.024,1171 3.874,1172 3.9,1173 3.817,1174 3.799,1175 5.076,1176 3.8,1177 3.748,1178 3.81,1179 3.634,1180 3.523,1181 4.616,1182 3.54,1183 3.631,1184 3.715,1185 3.487,1186 3.41,1187 4.614,1188 3.416,1189 3.315,1190 3.385,1191 3.235,1192 3.105,1193 4.379,1194 3.127,1195 3.111,1196 3.206,1197 2.957,1198 2.941,1199 4.264,1200 2.921,1201 3.101,1202 3.176,1203 2.866,1204 2.932,1205 3.992,1206 2.91,1207 2.937,1208 3.009,1209 2.801,1210 2.746,1211 3.618,1212 2.749,1213 0.156,1214 0.112,1215 0.228,1216 0.14,1217 0.109,1218 4.675,1219 0.154,1220 3.35,1221 0.029,1222 6.842,1223 0.38,1224 4.203,1225 0.103,1226 3.256,1227 4.627,1228 0.86,1229 11.399,1230 3.085,1231 1.943,1232 1.915,1233 2.021,1234 2.086,1235 1.226,1236 2.064,1237 1.789,1238 1.753,1239 1.933,1240 1.946,1241 1.169,1242 1.945,1243 1.697,1244 1.623,1245 1.916,1246 1.937,1247 1.077,1248 1.937,1249 1.575,1250 1.526,1251 1.729,1252 1.776,1253 0.876,1254 1.766,1255 1.438,1256 1.355,1257 1.681,1258 1.677,1259 0.825,1260 1.683,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.776,1266 1.429,1267 1.101,1268 1.033,1269 1.417,1270 1.311,1271 0.488,1272 1.344,1273 0.934,1274 0.847,1275 1.382,1276 1.239,1277 0.469,1278 1.308,1279 4.111,1281 5.434,1282 2.398,1283 6.952,1284 4.727,1285 8.564,1286 6.843,1287 10.23,1289 4.135,1294 9.872,1295 4.823,1297 5.505,1300 4.419,1305 31.805,1306 80.278,1307 180.245,1308 231.303,1309 254.913,1310 254.913,1311 254.913,1312 37.17,1313 7.578,1314 66.65,1315 66.65,1316 23,1317 12.642,1318 4.087,1319 3.17,1320 39.773,1321 93,1322 94,1323 0.217,1324 194.516,1325 326.52,1326 466.379,1327 18133,1329 18.803,1330 0.696,1331 0.585,1332 18.803,1333 15.798,1334 13.114,1335 0.437,1336 0.308,1337 9.073,1338 12.466,1339 8.826,1340 7.301,1341 13.114,1342 9.254,1343 11.962,1344 0.285,1345 0.168,1346 11.962,1347 7.07,1348 9.74,1349 0.174,1350 0.086,1351 9.74,1352 4.802,1353 8.358,1354 0.109,1355 0.043,1356 8.358,1357 3.328,1358 7.12,1359 0.069,1360 0.023,1361 7.12,1362 2.337,1363 0.328,1364 83.01,1365 0.222,1366 25.379,1367 0.635,1368 144,1369 400.111,1370 159.501,1371 383.569,1372 531.76,1373 362,1374 170,1375 395.695,1376 187.28,1377 401.737,1378 592.1,1379 376,1380 7.119}
{0 CHEMBL1089653,1 1.53,2 9.385,3 3.23,4 10.434,5 97.722,6 8.172,7 0.552,8 3.9,9 3.977,10 3.535,11 3.438,12 5.135,13 3.453,14 4.389,15 4.515,16 3.947,17 3.828,18 5.588,19 3.847,20 4.562,21 4.665,22 4.048,23 3.965,24 5.856,25 3.973,26 4.709,27 4.852,28 3.994,29 4.004,30 6.069,31 3.956,32 4.718,33 4.922,34 3.8,35 3.881,36 5.819,37 3.814,38 4.59,39 4.787,40 3.786,41 3.765,42 5.799,43 3.727,44 4.476,45 4.622,46 3.689,47 3.688,48 5.707,49 3.673,50 4.408,51 4.559,52 3.63,53 3.657,54 5.681,55 3.61,56 0.124,57 0.558,58 7.501,59 4.047,60 13.725,61 4.309,62 0.272,63 0.909,64 14.457,65 6.468,66 21.967,67 7.274,68 0.448,69 1.056,70 16.616,71 7.584,72 41.36,73 8.01,74 0.647,75 1.205,76 20.66,77 9.372,78 76.577,79 11.193,80 0.573,81 1.177,82 24.994,83 9.696,84 60.833,85 12.114,86 0.537,87 1.04,88 21.782,89 8.314,90 61.231,91 10.39,92 0.638,93 0.909,94 18.431,95 6.78,96 59.078,97 7.102,98 0.413,99 0.882,100 15.738,101 6.823,102 43.257,103 7.986,104 38,105 44,106 0.263,107 0.655,108 0.807,109 0.861,110 0.877,111 0.877,112 3.305,113 0.831,114 -3.34,115 -3.32,116 -3.18,119 46.5,120 1,124 2,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 10,180 4,183 8,186 1,187 7,195 7,199 6,202 3,203 1,204 2,207 6,211 2,212 4,217 1,220 5,223 1,224 5,227 1,229 2,232 4,236 1,237 3,242 2,245 4,249 1,250 3,253 1,255 3,258 4,263 1,266 1,268 3,271 2,275 900,276 17.248,277 17.248,278 17.248,279 17.248,280 17.248,281 14.928,282 18.974,283 9.6,284 17.688,285 14.186,286 14.186,287 14.186,288 14.186,289 14.186,290 10.515,291 21.912,292 4.454,293 14.818,294 3.896,295 1.62,296 0.741,297 0.425,298 0.332,299 0.332,300 3.994,303 1,304 1,305 1,306 530,307 2.828,310 99.024,311 128.391,314 191.098,318 1.26,319 34.274,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57.5,331 244,332 4.762,333 3.761,334 6.986,335 4.312,336 3.338,337 4.732,338 0.86,339 11.808,340 3.252,341 4.586,342 3.378,343 6.866,344 4.208,345 3.233,346 4.248,347 0.86,348 11.37,349 3.153,350 3.926,351 2.922,352 5.799,353 3.479,354 2.512,355 3.395,357 7.829,358 2.425,359 3.815,360 2.793,361 5.634,362 3.394,363 2.447,364 3.267,366 7.291,367 2.316,368 3.52,369 2.579,370 5.539,371 3.094,372 2.131,373 2.881,375 6.778,376 2.044,377 3.34,378 2.298,379 5.155,380 2.933,381 1.997,382 2.612,384 6.029,385 1.857,386 3.247,387 2.188,388 5.138,389 2.833,390 1.879,391 2.512,393 5.88,394 1.783,395 3.193,396 2.106,397 4.957,398 2.75,399 1.785,400 2.419,402 5.491,403 1.707,404 2.732,405 1.828,406 4.26,407 2.223,408 1.243,409 1.674,411 3.436,412 1.2,413 2.369,414 1.154,415 3.774,416 1.941,417 0.972,418 1.307,420 2.487,421 0.936,422 1.675,423 0.954,424 3.286,425 1.417,426 0.523,427 0.581,428 1.056,429 0.46,430 1.49,431 0.765,432 2.851,433 1.221,434 0.295,435 0.326,436 0.567,437 0.272,438 1.27,439 0.585,440 2.739,441 0.846,442 -0.158,443 -0.215,445 -0.4,446 -0.154,447 1.1,448 0.042,449 2.711,450 0.696,451 -0.248,452 -0.326,454 -0.673,455 -0.234,456 0.865,457 -0.072,458 2.525,459 0.473,460 -0.473,461 -0.593,463 -1.095,464 -0.437,465 12.067,466 0.464,467 0.857,468 0.033,469 36,470 1.385,471 19,472 0.731,473 17,474 0.654,475 19.652,476 0.756,477 27.533,478 0.64,479 28.584,480 1.099,481 7.358,482 0.283,483 5.043,484 0.194,485 0.207,487 0.489,493 0.888,494 1.135,495 0.723,496 0.986,497 0.834,498 0.847,499 0.931,500 0.921,501 0.632,502 0.783,503 0.599,504 0.65,505 1.095,506 1.042,507 0.955,508 0.991,509 0.973,510 0.939,511 0.609,512 1.241,513 1.025,514 1.286,515 0.616,516 1.266,517 0.875,518 0.965,519 0.948,520 1.007,521 0.961,522 1.005,523 0.837,524 0.985,525 0.811,526 0.948,527 0.648,528 0.892,529 1.509,530 0.864,531 1.249,532 0.848,533 1.395,534 0.949,535 0.878,536 1.276,537 1.123,538 1.295,539 1.124,540 1.281,541 6,542 0.09,543 3.556,544 3.715,545 1.703,546 1.251,547 0.672,548 0.47,549 0.383,550 0.209,551 7249,552 21938,553 2.055,554 39.5,556 12,559 2,560 3,564 1.695,565 1.857,566 3.198,567 0.251,568 1,569 1,573 65.794,574 1.53,575 3.807,576 4.685,577 5.002,578 5.095,579 5.095,580 2.59,581 4.47,582 4.675,583 3.323,584 1079.84,585 8.121,586 12945.6,588 1,590 1,591 233.329,592 1.526,593 4.598,594 0.207,595 0.008,596 0.081,597 0.079,598 0.042,599 0.037,600 0.02,601 0.015,602 0.014,603 0.01,604 0.512,605 0.5,606 1,607 0.85,608 124.577,609 -0.105,610 -0.068,611 0.02,612 0.012,613 -0.149,614 0.039,615 -0.09,616 0.144,617 0.212,618 0.196,619 0.027,620 0.27,621 -0.11,622 0.011,623 -0.119,624 -0.02,625 -0.071,626 -0.056,627 0.235,628 -0.242,629 -0.14,630 -0.301,631 0.254,632 -0.312,633 0.008,634 -0.018,635 0.061,636 -0.018,637 -0.076,638 0.019,639 0.082,640 -0.023,641 0.197,642 0.034,643 0.181,644 0.119,645 -0.255,646 0.131,647 -0.268,648 0.105,649 -0.222,650 -0.043,651 0.035,652 -0.283,653 -0.21,654 -0.32,655 -0.05,656 -0.331,657 2.086,658 5.644,659 0.692,660 19.183,661 1.019,662 1.113,663 2.107,664 4.438,665 0.683,666 3.401,667 3.807,668 4.159,669 4.489,670 4.71,671 4.86,672 4.99,673 5.13,674 5.17,675 5.231,676 5.585,677 0.67,678 351.38,679 3.401,680 4.99,681 5.889,682 6.815,683 7.73,684 8.661,685 9.581,686 10.514,687 11.438,688 12.371,689 2.3,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 43,733 18,734 2,735 29,737 46,738 20,739 14,740 7,741 5,742 3,746 4,747 6,752 1,761 17,762 3,766 2,771 1,773 1,775 2,777 1,778 1,781 17,782 5,783 2,784 6,790 1,794 0.5,795 5,807 1,811 2,812 2,815 2,831 2,840 2,844 3,848 26,853 2,856 2,870 11.6,872 2,873 1,875 2,877 14,878 8.85,879 5.583,880 2.365,881 3.945,882 1.51,883 0.964,884 3.879,885 11.686,886 3.689,887 4.404,888 5.088,889 5.752,890 6.311,891 6.725,892 7.137,893 7.578,894 7.865,895 8.259,896 1,897 47,898 9.632,900 4.279,901 7.974,902 17.855,904 14.866,905 2.474,906 64.333,909 1,910 176.567,911 119.671,912 1.899,914 132.511,917 119.671,918 309.078,919 1.899,920 28.105,922 56.857,923 120.889,924 43.33,925 4.901,926 176.567,928 176.567,929 121.57,930 132.511,933 176.567,934 132.511,937 10.724,938 96.126,939 14.72,941 176.567,942 134.41,943 119.671,946 176.567,947 34.709,948 86.861,950 132.511,951 176.567,952 134.41,953 119.671,955 0.603,956 0.374,957 0.208,958 0.111,959 24,960 12,961 0.043,962 2,963 2,964 1.222,965 3.61,966 236.244,967 0.222,968 18,969 122.211,974 16.849,975 5.987,976 2.562,977 1.926,978 132.511,979 8.181,984 2.249,985 2.025,986 85.367,987 430.648,988 39,993 12.644,995 1.663,997 -0.323,999 43.807,1000 47.867,1001 0.282,1002 0.702,1003 0.863,1004 0.922,1005 0.939,1006 0.939,1007 4.97,1008 1.785,1009 5.927,1010 5.88,1011 4.489,1012 5.091,1013 1.376,1014 6.834,1015 4.412,1016 6.242,1017 1.243,1018 7.553,1019 5.491,1020 4.29,1021 5.156,1023 7.89,1024 4.18,1025 7.604,1026 0.972,1027 9.275,1028 3.436,1029 6.184,1030 7.436,1031 1.159,1032 11.048,1033 6.052,1034 9.002,1035 0.523,1036 11.05,1037 2.487,1038 6.77,1039 8.289,1041 12.924,1042 6.609,1043 10.43,1044 0.295,1045 12.859,1046 1.056,1047 8.193,1048 10.097,1049 0.963,1050 15.623,1051 8.015,1052 11.881,1053 -0.158,1054 14.692,1055 0.567,1056 9.128,1057 11.32,1059 17.85,1060 8.924,1061 13.35,1062 -0.248,1063 16.545,1064 -0.4,1065 10.391,1066 12.952,1067 0.787,1068 20.391,1069 10.169,1070 3.338,1071 -0.473,1072 18.412,1073 -0.673,1074 11.477,1075 14.347,1077 22.759,1078 11.229,1079 3.233,1080 11.808,1081 20.293,1082 -1.095,1083 12.686,1084 15.914,1085 0.634,1086 25.243,1087 12.418,1088 2.512,1089 11.37,1090 22.183,1091 4.732,1092 13.834,1093 17.387,1095 27.665,1096 13.541,1097 2.447,1098 7.829,1099 24.082,1100 4.248,1101 15.029,1102 18.931,1103 0.504,1104 30.13,1105 14.713,1106 2.131,1107 7.291,1108 25.988,1109 3.395,1110 16.202,1111 20.44,1113 32.573,1114 15.861,1115 1.997,1116 6.778,1117 27.9,1118 3.267,1119 17.393,1120 21.978,1121 0.395,1122 35.031,1123 17.028,1124 1.879,1125 6.029,1126 29.816,1127 2.881,1128 18.578,1129 23.504,1131 37.482,1132 18.187,1133 6993,1134 12311,1135 18.729,1136 29.369,1137 45.037,1138 46.875,1139 48.03,1140 44.688,1141 44.709,1142 59.909,1143 3.44,1144 140.044,1145 42.81,1146 5.582,1147 5.761,1148 6.532,1149 5.379,1150 5.338,1151 7.732,1152 1.72,1153 19.13,1154 5.252,1155 15.623,1156 1.553,1157 1.616,1158 1.656,1159 1.541,1160 1.542,1161 2.066,1162 0.119,1163 4.829,1164 1.476,1165 4.165,1166 4.191,1167 4.136,1168 4.081,1169 7.428,1170 4.091,1171 3.975,1172 3.974,1173 3.952,1174 3.877,1175 6.492,1176 3.894,1177 3.577,1178 3.608,1179 3.507,1180 3.456,1181 6.445,1182 3.462,1183 3.456,1184 3.477,1185 3.391,1186 3.281,1187 4.974,1188 3.302,1189 3.192,1190 3.272,1191 3.012,1192 2.965,1193 4.755,1194 2.965,1195 3.127,1196 3.214,1197 2.956,1198 2.905,1199 4.589,1200 2.902,1201 3.008,1202 3.045,1203 2.888,1204 2.793,1205 4.139,1206 2.793,1207 2.938,1208 2.978,1209 2.716,1210 2.752,1211 4.068,1212 2.747,1213 0.164,1214 0.13,1215 0.241,1216 0.149,1217 0.115,1218 4.762,1219 0.163,1220 3.761,1221 0.03,1222 6.986,1223 0.407,1224 4.312,1225 0.112,1226 3.338,1227 4.732,1228 0.86,1229 11.808,1230 3.252,1231 1.938,1232 1.922,1233 2.015,1234 2.031,1235 1.174,1236 2.026,1237 1.85,1238 1.845,1239 1.912,1240 1.953,1241 1.042,1242 1.937,1243 1.719,1244 1.68,1245 1.866,1246 1.877,1247 1.008,1248 1.875,1249 1.406,1250 1.378,1251 1.605,1252 1.623,1253 0.643,1254 1.607,1255 1.215,1256 1.16,1257 1.522,1258 1.493,1259 0.569,1260 1.502,1261 1.101,1262 1,1263 1.51,1264 1.376,1265 0.558,1266 1.43,1267 0.973,1268 0.924,1269 1.174,1270 1.202,1271 0.248,1272 1.18,1273 0.859,1274 0.837,1275 1.057,1276 1.109,1277 0.097,1278 1.075,1279 4.078,1281 5.46,1282 3.045,1283 7.033,1284 5.587,1285 8.693,1286 7.811,1287 10.402,1289 5.501,1294 19.554,1297 10.914,1305 28.81,1306 65.794,1307 163.681,1308 201.455,1309 215.065,1310 219.065,1311 219.065,1312 51.425,1313 7.741,1314 84.83,1315 84.83,1316 22,1317 12.872,1318 4.248,1319 3.459,1320 37.89,1321 88,1322 86,1323 0.218,1324 173.473,1325 303.61,1326 415.033,1327 23163,1329 18.585,1330 0.715,1331 0.559,1332 18.585,1333 14.53,1334 12.401,1335 0.428,1336 0.277,1337 7.893,1338 11.82,1339 7.617,1340 6.321,1341 12.401,1342 8.036,1343 11.779,1344 0.268,1345 0.141,1346 11.779,1347 6.219,1348 10.583,1349 0.168,1350 0.076,1351 10.583,1352 4.76,1353 9.201,1354 0.105,1355 0.037,1356 9.201,1357 3.298,1358 7.073,1359 0.064,1360 0.02,1361 7.073,1362 2.181,1363 0.332,1364 78.692,1365 0.231,1366 24.463,1367 0.628,1368 146,1369 471.151,1370 161.812,1371 446.201,1372 611.02,1373 416,1374 180,1375 456.684,1376 196.397,1377 461.021,1378 681.31,1379 432,1380 8.155}
{0 CHEMBL1089767,1 1.588,2 8.522,3 2.178,4 4.743,5 86.366,6 7.57,7 0.615,8 3.847,9 3.962,10 3.436,11 3.35,12 4.931,13 3.352,14 4.387,15 4.554,16 3.779,17 3.74,18 5.436,19 3.724,20 4.584,21 4.796,22 3.811,23 3.844,24 5.578,25 3.788,26 4.581,27 4.81,28 3.757,29 3.803,30 5.571,31 3.747,32 4.54,33 4.759,34 3.747,35 3.806,36 5.53,37 3.751,38 4.564,39 4.774,40 3.695,41 3.828,42 5.597,43 3.749,44 4.539,45 4.773,46 3.487,47 3.721,48 5.456,49 3.605,50 4.388,51 4.649,52 3.182,53 3.49,54 5.245,55 3.343,56 0.051,57 0.635,58 8.382,59 3.499,60 7.861,61 4.534,62 0.267,63 1.022,64 16.369,65 5.713,66 21.09,67 7.541,68 0.349,69 1.199,70 21.069,71 7.206,72 26.113,73 10.156,74 0.281,75 1.192,76 21.342,77 6.697,78 29.757,79 9.836,80 0.29,81 1.147,82 20.149,83 6.531,84 26.135,85 9.459,86 0.381,87 1.154,88 20.401,89 6.918,90 36.348,91 9.828,92 0.252,93 1.038,94 20.759,95 7.55,96 25.614,97 10.654,98 0.241,99 0.828,100 18.852,101 6.825,102 22.895,103 9.723,104 3,105 36,106 0.279,107 0.656,108 0.796,109 0.846,110 0.846,111 0.846,112 3.19,113 0.892,114 -2.98,115 -2.98,116 -2.88,119 41.5,125 5,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 6,174 2,175 3,180 2,183 6,186 1,187 4,190 3,192 2,195 3,198 1,199 7,204 2,207 1,211 1,212 4,217 2,220 2,224 2,227 3,229 2,232 2,236 1,237 3,242 2,245 1,250 2,253 1,255 2,263 2,267 1,275 653,276 16.162,277 16.162,278 16.162,279 16.162,280 16.162,281 14.397,282 15.171,283 9.652,284 16.612,285 12.824,286 12.824,287 12.824,288 12.824,289 12.824,290 10.059,291 20.255,292 4.531,293 13.559,294 3.769,295 1.618,296 0.82,297 0.537,298 0.537,299 0.537,300 3.892,303 1,304 1,305 1,306 433,307 2.121,310 47.206,311 176.543,314 82.948,318 1.195,319 19.366,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 196,332 4.604,333 3.305,334 6.732,335 4.141,336 3.194,337 4.53,338 0.86,339 11.014,340 3.027,341 4.168,342 2.916,343 6.132,344 3.777,345 2.797,346 3.798,347 0.8,348 9.047,349 2.742,350 3.738,351 2.721,352 5.767,353 3.44,354 2.508,355 3.091,356 0.765,357 7.816,358 2.331,359 3.647,360 2.483,361 5.281,362 3.268,363 2.295,364 3.007,366 6.694,367 2.231,368 3.015,369 2.233,370 4.679,371 2.707,372 1.79,373 2.178,375 4.788,376 1.636,377 2.969,378 1.615,379 4.382,380 2.473,381 1.518,382 2.095,384 4.159,385 1.447,386 2.666,387 1.554,388 3.715,389 2.173,390 1.252,391 1.743,393 2.934,394 1.159,395 2.5,396 1.256,397 3.492,398 2.096,399 1.163,400 1.5,402 2.591,403 1.066,404 2.373,405 1.211,406 3.444,407 1.96,408 1,409 1.358,411 2.34,412 0.957,413 2,414 1,415 3.326,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.929,423 0.933,424 3.247,425 1.458,426 0.53,427 0.728,428 1.451,429 0.49,430 1.583,431 0.594,432 2.721,433 1.319,434 0.426,435 0.48,436 0.621,437 0.375,438 0.976,439 -0.295,440 2.689,441 0.526,442 -0.405,443 -0.511,445 -1.092,446 -0.374,447 0.777,448 -0.36,449 2.527,450 0.387,451 -0.574,452 -0.729,454 -1.346,455 -0.551,456 0.594,457 -0.424,458 2.182,459 0.17,460 -0.789,461 -0.998,463 -1.889,464 -0.753,465 10.767,466 0.468,467 0.41,468 0.018,469 30.5,470 1.326,471 14.5,472 0.63,473 16,474 0.696,475 16.633,476 0.723,477 24.633,478 0.601,479 20.803,480 0.904,481 6.145,482 0.267,483 5.203,484 0.226,485 0.031,487 0.316,493 0.969,494 1.411,495 0.774,496 1.099,497 0.944,498 0.933,499 1.269,500 1.096,501 0.963,502 0.911,503 0.996,504 0.892,505 0.852,506 1.059,507 0.925,508 0.973,509 0.622,510 0.964,511 0.925,512 1.125,513 0.94,514 0.942,515 0.988,516 0.927,517 0.902,518 1.037,519 0.96,520 0.917,521 0.846,522 0.923,523 0.852,524 0.993,525 1.152,526 1.061,527 0.806,528 1.126,529 0.796,530 1.06,531 1.087,532 1.213,533 0.707,534 1.2,535 0.736,536 0.952,537 0.989,538 1.138,539 0.708,540 1.121,541 3.5,542 0.021,543 2.222,544 1.063,545 1.128,546 0.781,547 0.344,548 0.218,549 0.143,550 0.066,551 5449,552 14174,553 2.196,554 43.9,556 15,557 1,559 2,564 1.664,565 2.123,566 3.09,567 0.321,568 1,569 1,571 1,573 65.114,574 1.588,575 3.74,576 4.538,577 4.821,578 4.821,579 4.821,580 2.475,581 4.263,582 4.495,583 3.182,584 804.979,585 7.773,586 8884.72,587 1,588 1,590 1,591 219.66,592 1.121,593 4.483,594 0.135,595 0.005,596 0.062,597 0.03,598 0.033,599 0.023,600 0.011,601 0.009,602 0.008,603 0.007,604 0.322,605 0.5,606 1,607 0.59,608 105.329,609 -0.094,610 -0.23,611 0.054,612 -0.057,613 -0.111,614 0.01,615 -0.159,616 0.016,617 -0.047,618 0.066,619 -0.116,620 0.027,621 0.042,622 -0.007,623 0.016,624 -0.005,625 0.068,626 -0.009,627 -0.088,628 -0.069,629 0.011,630 -0.001,631 -0.071,632 0.022,633 -0.072,634 0.035,635 -0.024,636 0.038,637 -0.043,638 0.027,639 0.005,640 0.081,641 -0.228,642 -0.097,643 -0.002,644 -0.179,645 0.007,646 -0.105,647 -0.137,648 -0.209,649 -0.026,650 -0.195,651 0.081,652 -0.085,653 0.002,654 -0.123,655 0.084,656 -0.082,657 1.49,658 3.338,659 0.913,660 16.113,661 1.006,662 1.13,663 1.747,664 3.053,665 0.665,666 3.296,667 3.611,668 3.932,669 4.234,670 4.489,671 4.595,672 4.787,673 4.905,674 4.949,675 4.977,676 5.107,677 0.639,678 310.39,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.357,685 9.251,686 10.15,687 11.048,688 11.95,689 9.8,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 41,733 16,734 1,735 26,737 44,738 17,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 5,777 1,778 1,781 18,782 5,783 2,784 6,790 4,794 0.75,795 2,796 1,806 1,807 1,811 1,812 3,815 1,838 1,839 1,840 3,848 23,853 1,854 5,856 1,859 1,870 4.9,871 1,874 1,877 10.833,878 7.217,879 5.111,880 2.425,881 3.091,882 1.425,883 0.997,884 3.894,885 10.371,886 3.555,887 4.171,888 4.827,889 5.474,890 6.032,891 6.433,892 6.935,893 7.366,894 7.641,895 7.98,896 0.833,897 36,898 8.49,900 3.626,901 7.652,902 16.41,904 13.639,905 2.152,906 49.5,910 188.338,911 85.14,912 53.481,914 53.683,917 85.14,918 242.021,919 53.481,921 13.396,922 99.112,923 44.571,924 30.753,925 16.243,926 176.567,928 188.338,929 138.621,930 53.683,933 190.666,935 53.683,937 32.326,938 70.396,939 33.571,941 188.338,942 107.164,943 85.14,946 188.338,947 28.711,948 59.553,949 16.786,950 87.254,951 188.338,952 107.164,953 85.14,955 0.571,956 0.345,957 0.197,958 0.109,959 19,960 7,961 0.068,962 3,963 1,964 1.095,965 3.54,966 194.295,967 0.095,968 21,969 100.042,974 14.486,975 6.183,976 2.778,977 1.847,978 90.379,979 11.547,980 9.443,981 3.239,984 3.351,986 59.469,987 380.642,988 34,999 41.247,1000 46.318,1001 0.296,1002 0.698,1003 0.847,1004 0.9,1005 0.9,1006 0.9,1007 4.779,1008 1.163,1009 5.659,1010 2.934,1011 4.29,1012 4.856,1013 1.528,1014 6.479,1015 4.187,1016 5.971,1017 1,1018 7.213,1019 2.591,1020 3.761,1021 4.62,1022 0.325,1023 7.38,1024 3.635,1025 7.276,1026 1,1027 8.871,1028 2.34,1029 5.878,1030 7.103,1031 1.175,1032 10.518,1033 5.686,1034 8.623,1035 0.53,1036 10.592,1037 2.136,1038 6.236,1039 7.784,1040 0.268,1041 12.282,1042 6.015,1043 10.008,1044 0.426,1045 12.355,1046 1.451,1047 7.763,1048 9.686,1049 0.908,1050 14.917,1051 7.486,1052 11.419,1053 -0.405,1054 14.147,1055 0.621,1056 8.534,1057 10.793,1058 0.188,1059 17.031,1060 8.216,1061 12.85,1062 -0.574,1063 15.958,1064 -1.092,1065 9.821,1066 12.458,1067 0.694,1068 19.499,1069 9.451,1070 3.194,1071 -0.789,1072 17.785,1073 -1.346,1074 10.787,1075 13.771,1076 0.125,1077 21.765,1078 10.371,1079 2.797,1080 11.014,1081 19.623,1082 -1.889,1083 11.979,1084 15.337,1085 0.523,1086 24.177,1087 11.511,1088 2.508,1089 9.047,1090 21.47,1091 4.53,1092 13.039,1093 16.749,1094 0.082,1095 26.51,1096 12.519,1097 2.295,1098 7.816,1099 23.325,1100 3.798,1101 14.195,1102 18.275,1103 0.389,1104 28.905,1105 13.624,1106 1.79,1107 6.694,1108 25.186,1109 3.091,1110 15.3,1111 19.735,1112 0.054,1113 31.27,1114 14.674,1115 1.518,1116 4.788,1117 27.052,1118 3.007,1119 16.446,1120 21.246,1121 0.287,1122 33.661,1123 15.767,1124 1.252,1125 4.159,1126 28.922,1127 2.178,1128 17.574,1129 22.73,1130 0.035,1131 36.042,1132 16.839,1133 5148,1134 8390,1135 18.087,1136 27.262,1137 38.998,1138 39.527,1139 39.469,1140 38.913,1141 38.948,1142 51.016,1143 4.849,1144 111.179,1145 36.816,1146 5.604,1147 5.305,1148 6.534,1149 5.245,1150 5.194,1151 7.53,1152 1.72,1153 18.224,1154 5.027,1155 6.196,1156 1.5,1157 1.52,1158 1.518,1159 1.497,1160 1.498,1161 1.962,1162 0.187,1163 4.276,1164 1.416,1165 4.121,1166 4.166,1167 4.092,1168 3.987,1169 6.457,1170 4.007,1171 3.89,1172 3.919,1173 3.828,1174 3.817,1175 5.109,1176 3.818,1177 3.731,1178 3.788,1179 3.612,1180 3.511,1181 4.698,1182 3.526,1183 3.335,1184 3.389,1185 3.26,1186 3.145,1187 4.617,1188 3.164,1189 3.168,1190 3.225,1191 3.033,1192 2.962,1193 4.391,1194 2.968,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.015,1200 2.91,1201 2.946,1202 3.005,1203 2.861,1204 2.757,1205 3.642,1206 2.768,1207 2.705,1208 2.783,1209 2.57,1210 2.47,1211 3.596,1212 2.493,1213 0.177,1214 0.127,1215 0.259,1216 0.159,1217 0.123,1218 4.604,1219 0.174,1220 3.305,1221 0.033,1222 6.732,1223 0.424,1224 4.141,1225 0.116,1226 3.194,1227 4.53,1228 0.86,1229 11.014,1230 3.027,1231 1.957,1232 1.93,1233 2.045,1234 2.085,1235 1.22,1236 2.067,1237 1.796,1238 1.754,1239 1.938,1240 1.962,1241 1.154,1242 1.963,1243 1.6,1244 1.552,1245 1.739,1246 1.807,1247 0.875,1248 1.791,1249 1.458,1250 1.392,1251 1.637,1252 1.683,1253 0.825,1254 1.676,1255 1.196,1256 1.15,1257 1.513,1258 1.451,1259 0.632,1260 1.451,1261 1.153,1262 1.064,1263 1.459,1264 1.376,1265 0.585,1266 1.429,1267 0.966,1268 0.917,1269 1.159,1270 1.132,1271 0.249,1272 1.137,1273 0.744,1274 0.664,1275 1.07,1276 1.099,1277 0.229,1278 1.091,1279 3.97,1281 5.283,1282 2.398,1283 6.808,1284 4.595,1285 8.428,1286 6.605,1287 10.1,1294 9.338,1295 3.072,1297 5.437,1300 2.226,1305 26.203,1306 65.114,1307 153.321,1308 186.05,1309 197.66,1310 197.66,1311 197.66,1312 27.775,1313 7.279,1314 74.27,1315 74.27,1316 23,1317 12.472,1318 4.087,1319 3.17,1320 31.614,1321 71,1322 73,1323 0.225,1324 158.945,1325 263.62,1326 379.585,1327 13049,1329 15.648,1330 0.68,1331 0.552,1332 15.648,1333 12.697,1334 11.348,1335 0.436,1336 0.297,1337 7.592,1338 10.837,1339 7.477,1340 6.123,1341 11.348,1342 7.73,1343 9.849,1344 0.274,1345 0.155,1346 9.849,1347 5.567,1348 8.771,1349 0.175,1350 0.081,1351 8.771,1352 4.065,1353 7.552,1354 0.111,1355 0.042,1356 7.552,1357 2.871,1358 6.231,1359 0.071,1360 0.022,1361 6.231,1362 1.919,1363 0.34,1364 71.639,1365 0.235,1366 22.077,1367 0.66,1368 124,1369 355.153,1370 136.672,1371 339.081,1372 472.28,1373 322,1374 148,1375 348.574,1376 162.006,1377 352.414,1378 523.74,1379 333,1380 7.187}
{0 CHEMBL1089784,1 1.413,2 10.719,3 5.889,4 34.679,5 122.254,6 8.56,7 0.73,8 4.041,9 4.109,10 3.726,11 3.698,12 5.29,13 3.697,14 4.49,15 4.572,16 4.137,17 4.108,18 5.72,19 4.1,20 4.756,21 4.883,22 4.212,23 4.211,24 5.984,25 4.187,26 4.809,27 4.96,28 4.168,29 4.172,30 6.133,31 4.132,32 4.729,33 4.882,34 4.039,35 4.097,36 5.896,37 4.056,38 4.688,39 4.843,40 4.104,41 4.114,42 5.923,43 4.079,44 4.726,45 4.87,46 4.099,47 4.148,48 5.909,49 4.114,50 4.745,51 4.9,52 4.061,53 4.136,54 5.941,55 4.087,56 0.095,57 0.551,58 7.322,59 4.18,60 16.704,61 4.243,62 0.062,63 0.885,64 11.281,65 6.699,66 11.754,67 7.337,68 0.325,69 1.211,70 18.876,71 9.24,72 41.626,73 10.139,74 0.618,75 1.329,76 21.766,77 9.857,78 79.729,79 11.389,80 0.393,81 1.21,82 20.719,83 9.271,84 53.111,85 10.012,86 0.329,87 1.165,88 19.217,89 9.005,90 49.978,91 10.724,92 0.309,93 1.197,94 19.696,95 9.13,96 42.156,97 9.89,98 0.312,99 1.225,100 20.375,101 9.56,102 45.563,103 10.85,104 10,105 55,106 0.231,107 0.509,108 0.67,109 0.839,110 0.898,111 0.911,112 3.503,113 0.823,114 -4.72,115 -4.64,116 -4.36,119 55.1,135 1,136 1,142 13,143 5,144 4,152 2,157 1,172 17,175 7,180 5,183 24,187 6,190 1,192 1,195 22,199 5,202 2,203 2,204 5,207 19,211 1,212 4,217 2,220 18,224 7,227 1,228 1,229 4,232 18,237 5,242 6,245 20,250 3,253 1,255 6,258 19,263 2,266 1,268 8,271 15,275 1800,276 21.963,277 21.963,278 21.963,279 21.963,280 21.963,281 18.44,282 14.376,283 12.655,284 22.112,285 18.303,286 18.303,287 18.303,288 18.303,289 18.303,290 12.95,291 17.758,292 6.042,293 18.597,294 4.201,295 2.499,296 1.518,297 0.48,298 0.122,299 0.041,300 4.225,305 1,306 778,307 2.739,310 114.51,311 292.461,314 225.977,315 115.969,318 1.549,319 34.313,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.5,331 343,332 4.722,333 3.428,334 6.905,335 4.289,336 3.304,337 4.685,338 0.6,339 11.589,340 3.253,341 4.609,342 3.337,343 6.834,344 4.193,345 3.21,346 4.385,348 11.308,349 3.153,350 4.377,351 2.904,352 6.212,353 3.896,354 2.897,355 4.173,357 9.298,358 2.893,359 3.873,360 2.681,361 5.913,362 3.456,363 2.483,364 3.377,366 8.154,367 2.427,368 3.833,369 2.497,370 5.732,371 3.422,372 2.433,373 3.313,375 7.651,376 2.389,377 3.484,378 2.308,379 5.186,380 3.038,381 2.074,382 2.848,384 6.159,385 1.993,386 3.377,387 2.032,388 5.115,389 2.909,390 1.928,391 2.717,393 5.862,394 1.885,395 3.154,396 1.905,397 4.945,398 2.725,399 1.747,400 2.427,402 5.386,403 1.704,404 3.118,405 1.724,406 4.525,407 2.618,408 1.618,409 2.404,411 4.473,412 1.618,413 3.046,414 1.618,415 4.375,416 2.541,417 1.564,418 2.226,420 4.112,421 1.526,422 2.886,423 1.477,424 4.245,425 2.404,426 1.407,427 2.065,428 3.404,429 1.403,430 2.712,431 1.411,432 3.65,433 2.223,434 1.258,435 1.774,436 3.011,437 1.21,438 2.568,439 1.259,440 3.597,441 2.129,442 1.158,443 1.564,445 2.825,446 1.115,447 2.335,448 0.848,449 3.545,450 1.742,451 0.752,452 1.148,454 1.951,455 0.743,456 2.148,457 0.666,458 3.16,459 1.607,460 0.62,461 0.942,463 1.498,464 0.612,465 15.233,466 0.476,467 0.849,468 0.027,469 49.25,470 1.539,471 29,472 0.906,473 20.25,474 0.633,475 22.26,476 0.696,477 30.967,478 0.632,479 39.184,480 1.225,481 9.786,482 0.306,483 5.795,484 0.181,485 0.066,487 0.427,493 0.947,494 0.802,495 0.708,496 0.73,497 1.016,498 0.685,499 0.704,500 1.072,501 0.711,502 0.988,503 0.591,504 0.881,505 0.946,506 1.061,507 0.913,508 0.992,509 0.91,510 0.955,511 0.708,512 1.049,513 0.958,514 1.025,515 0.64,516 1.029,517 1.21,518 0.958,519 1.083,520 0.942,521 1.142,522 0.978,523 0.7,524 0.982,525 0.79,526 0.931,527 0.578,528 0.889,529 1.133,530 0.941,531 1.01,532 0.92,533 0.953,534 0.932,535 0.969,536 1.017,537 1.032,538 1.037,539 0.973,540 1.045,541 6,542 0.193,543 3.778,544 3.243,545 2.032,546 1.147,547 0.706,548 0.682,549 0.475,550 0.305,551 14177,552 38687,553 2.21,554 34.7,556 14,559 3,564 1.751,565 2.087,566 3.379,567 0.76,573 69.252,574 1.413,575 3.116,576 4.097,577 5.135,578 5.492,579 5.574,580 2.844,581 4.875,582 4.973,583 3.529,584 1750.59,585 8.732,586 24484.6,591 275.121,592 1.348,593 4.942,594 0.162,595 0.007,596 0.069,597 0.057,598 0.039,599 0.024,600 0.014,601 0.013,602 0.01,603 0.008,604 0.403,605 0.33,606 0.88,607 0.476,608 164.713,609 -0.127,610 0.113,611 -0.006,612 0.143,613 -0.208,614 0.103,615 -0.014,616 -0.15,617 0.005,618 -0.111,619 -0.001,620 -0.064,621 0.005,622 -0.089,623 -0.031,624 -0.059,625 -0.04,626 -0.054,627 0.296,628 -0.032,629 0.001,630 -0.071,631 0.287,632 -0.084,633 -0.128,634 0.039,635 -0.112,636 0.024,637 -0.165,638 -0.028,639 0.141,640 0.006,641 0.146,642 0.03,643 0.183,644 0.075,645 -0.149,646 0.045,647 -0.083,648 0.033,649 -0.095,651 -0.048,652 -0.041,653 -0.084,654 -0.07,655 -0.044,656 -0.082,657 1.916,658 4.748,659 0.875,660 28.5,661 1.01,662 1.095,663 3.492,664 12.194,665 0.733,666 3.638,667 4.025,668 4.382,669 4.736,670 4.997,671 5.159,672 5.357,673 5.583,674 5.746,675 5.861,676 6.423,677 0.716,678 419.45,679 3.638,680 5.22,681 6.116,682 7.034,683 7.945,684 8.869,685 9.786,686 10.713,687 11.633,688 12.561,689 2,698 1,703 4,704 13,707 1,709 7,711 27,714 1,728 3,731 49,733 29,734 4,735 37,737 54,738 27,739 24,740 9,741 13,742 3,746 6,747 9,761 27,766 2,773 1,774 1,775 2,780 1,781 17,782 5,783 3,784 5,790 1,794 0.5,795 4,811 2,812 4,815 2,816 1,831 1,832 1,840 3,848 32,853 3,870 8.2,872 3,875 1,877 15.333,878 8.883,879 6.75,880 2.84,881 6.62,882 1.753,883 1.026,884 4.184,885 15.417,886 3.98,887 4.703,888 5.418,889 6.108,890 6.72,891 7.158,892 7.683,893 8.231,894 8.702,895 9.124,896 1,897 57,898 11.842,900 5.372,901 7.818,902 22.306,904 19.239,905 2.318,906 74.167,910 164.795,911 165.742,912 16.786,914 137.557,917 165.742,918 302.353,919 16.786,922 132.667,923 130.807,924 46.325,925 10.285,926 164.795,928 164.795,929 182.527,930 137.557,933 164.795,934 137.557,937 16.786,938 156.265,939 9.476,941 164.795,942 154.343,943 165.742,946 164.795,947 33.074,948 132.667,950 154.343,951 164.795,952 154.343,953 165.742,955 0.595,956 0.361,957 0.21,958 0.114,959 31,960 13,961 0.037,962 2,963 3,964 1.214,965 4.252,966 327.024,967 0.214,968 28,969 160,974 18.876,975 7.092,976 3.043,977 2.602,978 154.343,979 24.639,982 5.791,984 2.296,986 128.05,987 484.88,988 52.5,995 1.728,996 4.857,997 1.567,999 49.48,1000 53.658,1001 0.252,1002 0.555,1003 0.73,1004 0.915,1005 0.978,1006 0.993,1007 5.235,1008 1.747,1009 6.125,1010 5.862,1011 4.71,1012 5.391,1013 0.542,1014 7.006,1015 4.677,1016 6.495,1017 1.618,1018 7.723,1019 5.386,1020 4.369,1021 5.301,1023 8.003,1024 4.307,1025 7.84,1026 1.564,1027 9.42,1028 4.473,1029 6.368,1030 7.738,1031 0.23,1032 11.164,1033 6.31,1034 9.224,1035 1.407,1036 11.176,1037 4.112,1038 6.858,1039 8.487,1041 13.007,1042 6.771,1043 10.64,1044 1.258,1045 12.97,1046 3.404,1047 8.336,1048 10.382,1049 0.089,1050 15.683,1051 8.251,1052 12.08,1053 1.158,1054 14.79,1055 3.011,1056 9.207,1057 11.535,1059 17.874,1060 9.097,1061 13.539,1062 0.752,1063 16.63,1064 2.825,1065 10.487,1066 13.205,1067 0.033,1068 20.388,1069 10.372,1070 3.304,1071 0.62,1072 18.484,1073 1.951,1074 11.529,1075 14.552,1077 22.722,1078 11.393,1079 3.21,1080 11.589,1081 20.351,1082 1.498,1083 12.735,1084 16.128,1085 0.012,1086 25.181,1087 12.589,1088 2.897,1089 11.308,1090 22.227,1091 4.685,1092 13.852,1093 17.565,1095 27.574,1096 13.686,1097 2.483,1098 9.298,1099 24.111,1100 4.385,1101 15.033,1102 19.103,1103 0.004,1104 30.016,1105 14.855,1106 2.433,1107 8.154,1108 26.001,1109 4.173,1110 16.182,1111 20.583,1113 32.434,1114 15.985,1115 2.074,1116 7.651,1117 27.897,1118 3.377,1119 17.357,1120 22.107,1121 0.002,1122 34.872,1123 17.145,1124 1.928,1125 6.159,1126 29.797,1127 3.313,1128 18.521,1129 23.608,1131 37.301,1132 18.292,1133 12848,1134 21404,1135 25.372,1136 35.915,1137 57.914,1138 57.404,1139 58.69,1140 57.032,1141 56.906,1142 80.096,1143 1.2,1144 173.362,1145 55.851,1146 5.551,1147 5.428,1148 6.592,1149 5.311,1150 5.304,1151 7.685,1152 1.2,1153 18.961,1154 5.253,1155 12.821,1156 1.565,1157 1.551,1158 1.586,1159 1.541,1160 1.538,1161 2.165,1162 0.032,1163 4.685,1164 1.509,1165 4.156,1166 4.165,1167 4.13,1168 4.092,1169 6.505,1170 4.095,1171 4.068,1172 4.074,1173 4.036,1174 3.992,1175 6.463,1176 4.003,1177 3.949,1178 3.971,1179 3.908,1180 3.891,1181 6.44,1182 3.893,1183 3.549,1184 3.579,1185 3.481,1186 3.479,1187 5.035,1188 3.474,1189 3.452,1190 3.47,1191 3.388,1192 3.343,1193 4.934,1194 3.348,1195 3.232,1196 3.264,1197 3.153,1198 3.108,1199 4.821,1200 3.118,1201 3.037,1202 3.084,1203 2.951,1204 2.949,1205 4.409,1206 2.937,1207 3.016,1208 3.026,1209 2.917,1210 2.8,1211 4.184,1212 2.825,1213 0.128,1214 0.093,1215 0.187,1216 0.116,1217 0.089,1218 4.722,1219 0.127,1220 3.428,1221 0.016,1222 6.905,1223 0.313,1224 4.289,1225 0.088,1226 3.304,1227 4.685,1228 0.6,1229 11.589,1230 3.253,1231 2.076,1232 2.059,1233 2.157,1234 2.127,1235 1.293,1236 2.138,1237 1.896,1238 1.89,1239 1.985,1240 1.994,1241 1.11,1242 1.977,1243 1.881,1244 1.862,1245 1.948,1246 1.952,1247 1.08,1248 1.964,1249 1.642,1250 1.623,1251 1.733,1252 1.762,1253 0.832,1254 1.747,1255 1.455,1256 1.434,1257 1.588,1258 1.594,1259 0.657,1260 1.59,1261 1.166,1262 1.143,1263 1.308,1264 1.336,1265 0.379,1266 1.322,1267 1.047,1268 1.007,1269 1.233,1270 1.214,1271 0.304,1272 1.215,1273 0.942,1274 0.926,1275 1.112,1276 1.176,1277 0.174,1278 1.151,1279 4.317,1281 5.687,1282 3.045,1283 7.253,1284 5.533,1285 8.91,1286 7.735,1287 10.613,1294 30.686,1305 35.095,1306 69.252,1307 152.693,1308 200.75,1309 251.611,1310 269.121,1311 273.121,1312 53.57,1313 8.797,1314 86.72,1315 86.72,1316 34,1317 13.066,1318 4.907,1319 4.044,1320 41.112,1321 119,1322 127,1323 0.163,1324 207.199,1325 356.2,1326 497.326,1327 92516,1329 21.819,1330 0.682,1331 0.524,1332 21.819,1333 16.78,1334 15.581,1335 0.421,1336 0.274,1337 10.063,1338 15.202,1339 9.875,1340 8.122,1341 15.581,1342 10.151,1343 14.631,1344 0.266,1345 0.141,1346 14.631,1347 7.75,1348 13.04,1349 0.165,1350 0.073,1351 13.04,1352 5.736,1353 11.93,1354 0.106,1355 0.037,1356 11.93,1357 4.234,1358 9.69,1359 0.066,1360 0.02,1361 9.69,1362 2.938,1363 0.25,1364 96.44,1365 0.199,1366 29.278,1367 0.466,1368 184,1369 509.83,1370 196.572,1371 502.533,1372 705.61,1373 470,1374 226,1375 542.181,1376 239.239,1377 551.793,1378 819.71,1379 523,1380 6.097}
{0 CHEMBL1089818,1 1.616,2 7.818,3 2.146,4 4.604,5 81.568,6 7.799,7 0.64,8 3.783,9 3.895,10 3.397,11 3.286,12 4.898,13 3.297,14 4.311,15 4.471,16 3.755,17 3.675,18 5.402,19 3.669,20 4.519,21 4.723,22 3.755,23 3.757,24 5.546,25 3.718,26 4.476,27 4.705,28 3.697,29 3.707,30 5.485,31 3.66,32 4.43,33 4.637,34 3.693,35 3.719,36 5.499,37 3.668,38 4.464,39 4.67,40 3.623,41 3.732,42 5.444,43 3.667,44 4.475,45 4.71,46 3.435,47 3.616,48 5.459,49 3.504,50 4.289,51 4.553,52 3.019,53 3.334,54 5.2,55 3.189,56 0.064,57 0.596,58 7.402,59 3.17,60 7.442,61 3.972,62 0.264,63 0.96,64 14.372,65 5.24,66 18.389,67 6.69,68 0.343,69 1.11,70 19.427,71 6.352,72 27.719,73 8.757,74 0.318,75 1.093,76 18.821,77 5.99,78 26.751,79 8.585,80 0.35,81 1.037,82 17.379,83 5.914,84 33.248,85 8.362,86 0.236,87 1.064,88 17.628,89 6.092,90 19.179,91 8.404,92 0.417,93 0.956,94 19.604,95 6.792,96 30.434,97 9.58,98 0.241,99 0.709,100 17.602,101 6.266,102 27.244,103 8.688,104 2,105 35,106 0.288,107 0.667,108 0.787,109 0.841,110 0.841,111 0.841,112 3.148,113 0.874,114 -3.81,115 -3.77,116 -3.59,119 42.1,125 4,142 5,143 2,144 1,147 1,149 1,151 1,161 1,172 5,174 2,175 5,178 1,180 4,183 4,186 1,187 7,192 2,195 2,198 1,199 3,202 2,204 2,207 1,211 1,212 5,215 2,217 2,220 3,224 2,229 1,232 3,236 1,237 2,240 2,241 1,242 2,245 2,250 2,255 1,258 1,263 1,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.611,283 9.15,284 15.766,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 16.024,292 4.385,293 13.171,294 3.632,295 1.503,296 0.832,297 0.526,298 0.526,299 0.526,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 19.531,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48,331 172,332 4.604,333 3.305,334 6.732,335 4.144,336 3.194,337 4.53,338 0.86,339 11.013,340 3.036,341 4.155,342 2.884,343 6.124,344 3.757,345 2.783,346 3.786,347 0.8,348 9.011,349 2.713,350 3.738,351 2.697,352 5.766,353 3.429,354 2.505,355 3.075,357 7.812,358 2.307,359 3.598,360 2.389,361 5.05,362 3.161,363 2.212,364 2.984,366 6.078,367 2.091,368 3.015,369 2.233,370 4.678,371 2.694,372 1.79,373 2.142,375 4.788,376 1.614,377 2.935,378 1.557,379 4.323,380 2.429,381 1.471,382 2.088,384 4.025,385 1.404,386 2.657,387 1.532,388 3.708,389 2.175,390 1.246,391 1.731,393 2.925,394 1.164,395 2.5,396 1.256,397 3.481,398 2.085,399 1.155,400 1.5,402 2.568,403 1.056,404 2.373,405 1.184,406 3.443,407 1.962,408 1,409 1.358,411 2.34,412 0.959,413 2,414 1,415 3.326,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.929,423 0.595,424 3.247,425 1.454,426 0.528,427 0.728,428 1.449,429 0.488,430 0.998,431 -0.057,432 2.707,433 0.56,434 -0.381,435 -0.492,436 -0.872,437 -0.353,438 0.909,439 -0.295,440 2.541,441 0.496,442 -0.425,443 -0.523,445 -1.123,446 -0.389,447 0.73,448 -0.36,449 2.182,450 0.332,451 -0.624,452 -0.783,454 -1.682,455 -0.594,456 0.5,457 -0.566,458 2,459 0.014,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.267,466 0.467,467 0.448,468 0.02,469 30.5,470 1.386,471 15,472 0.682,473 15.5,474 0.705,475 14.871,476 0.676,477 23.333,478 0.614,479 20.349,480 0.925,481 6.089,482 0.277,483 4.721,484 0.215,485 0.032,487 0.331,493 0.977,494 1.405,495 0.748,496 1.077,497 0.935,498 0.903,499 1.127,500 1.051,501 0.909,502 0.931,503 0.724,504 0.889,505 1.105,506 1.211,507 0.978,508 0.976,509 0.956,510 0.957,511 0.821,512 0.983,513 0.912,514 0.889,515 0.852,516 0.893,517 0.725,518 1.034,519 0.936,520 0.942,521 0.706,522 0.96,523 0.97,524 1.128,525 1.165,526 1.149,527 0.788,528 1.161,529 0.727,530 0.926,531 1.101,532 1.139,533 0.738,534 1.18,535 0.955,536 0.854,537 1.005,538 1.109,539 1.062,540 1.087,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 12921,553 2.205,554 42.1,556 13,557 1,559 2,564 1.651,565 2.129,566 2.995,567 0.348,568 1,569 1,571 1,573 61.421,574 1.616,575 3.745,576 4.416,577 4.722,578 4.722,579 4.722,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,590 1,591 199.421,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.67,606 1,607 0.405,608 98.781,609 -0.11,610 -0.241,611 0.051,612 -0.06,613 -0.113,614 0.01,615 -0.089,616 0.063,617 -0.022,618 0.033,619 0.011,620 0.014,621 -0.113,622 -0.186,623 -0.029,624 -0.02,625 -0.049,626 -0.017,627 -0.021,628 0.08,629 0.036,630 0.041,631 -0.03,632 0.05,633 0.087,634 0.03,635 -0.017,636 0.018,637 0.106,638 -0.011,639 -0.177,640 -0.059,641 -0.259,642 -0.193,643 -0.13,644 -0.22,645 0.176,646 0.018,647 -0.12,648 -0.159,649 0.061,650 -0.187,651 -0.009,652 -0.047,653 0.038,654 -0.083,655 0.035,656 -0.022,657 1.458,658 3.675,659 0.955,660 14.38,661 1.01,662 1.129,663 2.584,664 6.677,665 0.671,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.649,678 296.36,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 10.5,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,728 1,731 38,733 16,734 1,735 25,737 41,738 16,739 12,740 2,741 4,746 4,747 5,761 12,762 4,777 1,778 1,781 16,782 5,783 2,784 6,790 4,794 0.75,795 2,806 1,807 1,811 1,812 3,815 1,839 1,840 3,848 22,853 1,854 4,856 1,859 1,870 5.3,872 1,874 1,877 10.333,878 6.717,879 4.778,880 2.25,881 3.064,882 1.427,883 1.006,884 3.445,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.112,900 3.495,901 7.682,902 15.593,904 12.989,905 2.182,906 48,910 164.795,911 81.955,912 53.481,914 53.683,917 81.955,918 218.479,919 53.481,921 13.396,922 56.429,923 88.97,924 27.996,925 14.099,926 153.024,928 164.795,929 135.435,930 53.683,933 167.123,934 42.683,935 11,937 31.897,938 67.639,939 33.571,941 164.795,942 107.164,943 81.955,946 164.795,947 25.526,948 59.553,949 16.786,950 87.254,951 164.795,952 107.164,953 81.955,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.049,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,974 13.552,975 5.592,976 2.569,977 1.806,978 90.379,979 10.864,980 9.303,981 3.152,984 2.52,986 59.469,987 353.914,988 33,999 38.363,1000 42.903,1001 0.308,1002 0.714,1003 0.841,1004 0.9,1005 0.9,1006 0.9,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.15,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.604,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.641,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.969,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.441,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.175,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.414,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.339,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.484,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.498,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.607,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.664,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.762,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.839,1133 4548,1134 7529,1135 17.394,1136 25.5,1137 37.966,1138 37.939,1139 38.154,1140 37.804,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 35.555,1146 5.604,1147 5.305,1148 6.534,1149 5.247,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 5.036,1155 5.832,1156 1.519,1157 1.518,1158 1.526,1159 1.512,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.422,1165 4.118,1166 4.163,1167 4.09,1168 3.983,1169 6.471,1170 4.003,1171 3.867,1172 3.892,1173 3.809,1174 3.791,1175 5.111,1176 3.792,1177 3.732,1178 3.791,1179 3.615,1180 3.507,1181 4.637,1182 3.523,1183 3.283,1184 3.343,1185 3.225,1186 3.088,1187 4.616,1188 3.113,1189 3.111,1190 3.206,1191 2.894,1192 2.941,1193 4.367,1194 2.91,1195 2.97,1196 3.02,1197 2.866,1198 2.747,1199 3.994,1200 2.767,1201 2.92,1202 2.967,1203 2.793,1204 2.735,1205 3.578,1206 2.743,1207 2.668,1208 2.738,1209 2.543,1210 2.483,1211 3.523,1212 2.496,1213 0.184,1214 0.132,1215 0.269,1216 0.166,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.144,1225 0.121,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 3.036,1231 1.94,1232 1.912,1233 2.018,1234 2.079,1235 1.22,1236 2.057,1237 1.784,1238 1.748,1239 1.931,1240 1.945,1241 1.08,1242 1.944,1243 1.589,1244 1.54,1245 1.73,1246 1.81,1247 0.876,1248 1.788,1249 1.459,1250 1.39,1251 1.633,1252 1.674,1253 0.825,1254 1.672,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.6,1260 1.429,1261 0.984,1262 0.944,1263 1.161,1264 1.174,1265 0.248,1266 1.154,1267 0.883,1268 0.838,1269 1.118,1270 1.115,1271 0.234,1272 1.126,1273 0.747,1274 0.672,1275 1.072,1276 1.097,1277 0.132,1278 1.088,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1294 9.675,1295 3.044,1297 5.419,1300 2.216,1305 24.676,1306 61.421,1307 142.302,1308 167.812,1309 179.421,1310 179.421,1311 179.421,1312 26.039,1313 7.182,1314 74.27,1315 74.27,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 149.352,1325 246.32,1326 356.179,1327 11480,1329 14.941,1330 0.679,1331 0.545,1332 14.941,1333 11.99,1334 10.81,1335 0.432,1336 0.291,1337 7.152,1338 10.31,1339 7.057,1340 5.774,1341 10.81,1342 7.283,1343 9.68,1344 0.277,1345 0.15,1346 9.68,1347 5.261,1348 8.347,1349 0.174,1350 0.079,1351 8.347,1352 3.811,1353 7.33,1354 0.111,1355 0.041,1356 7.33,1357 2.715,1358 5.998,1359 0.071,1360 0.021,1361 5.998,1362 1.801,1363 0.348,1364 68.281,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 351.153,1370 133.392,1371 336.612,1372 468.98,1373 318,1374 143,1375 352.089,1376 157.088,1377 354.229,1378 524.66,1379 335,1380 7.367}
{0 CHEMBL1089819,1 1.523,2 9.321,3 2.153,4 4.637,5 109.606,6 6.937,7 0.516,8 4.108,9 4.238,10 3.623,11 3.571,12 5.126,13 3.556,14 4.679,15 4.885,16 3.958,17 3.967,18 5.628,19 3.933,20 4.868,21 5.084,22 4.015,23 4.128,24 5.792,25 4.05,26 4.984,27 5.249,28 3.999,29 4.139,30 5.858,31 4.042,32 4.91,33 5.155,34 4.043,35 4.128,36 5.816,37 4.057,38 4.903,39 5.112,40 4.065,41 4.181,42 5.888,43 4.11,44 4.981,45 5.211,46 3.951,47 4.195,48 5.864,49 4.08,50 4.973,51 5.229,52 3.824,53 4.132,54 5.763,55 3.984,56 0.028,57 0.839,58 12.659,59 4.684,60 8.602,61 6.782,62 0.376,63 1.332,64 24.552,65 7.282,66 25.694,67 10.932,68 0.303,69 1.572,70 29.263,71 9.638,72 29.804,73 14.616,74 0.376,75 1.662,76 33.936,77 10.453,78 40.206,79 16.389,80 0.357,81 1.606,82 31.11,83 9.447,84 34.489,85 14.868,86 0.376,87 1.659,88 30.233,89 9.384,90 41.984,91 14.501,92 0.438,93 1.675,94 33.126,95 11.077,96 36.537,97 16.573,98 0.301,99 1.548,100 33.127,101 12.02,102 29.758,103 17.848,104 16,105 43,106 0.252,107 0.573,108 0.755,109 0.826,110 0.826,111 0.826,112 3.376,113 0.939,114 -3.95,115 -3.9,116 -3.7,119 38.2,124 2,125 7,142 5,143 3,147 1,149 1,151 1,161 1,172 7,174 3,175 7,180 1,183 6,186 2,187 7,192 2,195 3,198 3,199 6,204 2,207 1,211 2,212 9,217 1,220 3,224 5,227 2,232 4,236 4,237 4,245 3,250 4,253 2,255 1,258 1,263 4,268 1,275 1156,276 19.231,277 19.231,278 19.231,279 19.231,280 19.231,281 17.473,282 22.806,283 11.463,284 19.842,285 15.285,286 15.285,287 15.285,288 15.285,289 15.285,290 12.457,291 27.755,292 5.412,293 16.267,294 4.259,295 2.319,296 1.22,297 0.791,298 0.791,299 0.791,300 4.074,303 1,304 1,305 1,306 560,307 3.162,310 60.739,311 227.896,314 108.257,318 1.296,319 20.746,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 60.5,331 261,332 4.675,333 3.35,334 6.842,335 4.203,336 3.256,337 4.627,338 0.86,339 11.399,340 3.086,341 4.187,342 2.929,343 6.135,344 3.792,345 2.811,346 3.816,347 0.8,348 9.064,349 2.761,350 3.906,351 2.888,352 6.101,353 3.594,354 2.68,355 3.294,356 0.8,357 8.836,358 2.446,359 3.649,360 2.585,361 5.283,362 3.287,363 2.318,364 3.03,365 0.765,366 6.711,367 2.246,368 3.269,369 2.508,370 5.142,371 3.133,372 2.212,373 2.33,375 5.932,376 2.034,377 3.109,378 2.314,379 4.651,380 2.868,381 1.947,382 2.178,384 5.07,385 1.787,386 2.971,387 1.895,388 4.393,389 2.484,390 1.523,391 2.148,393 4.191,394 1.461,395 2.745,396 1.608,397 4.331,398 2.382,399 1.482,400 1.832,402 3.878,403 1.326,404 2.635,405 1.338,406 3.761,407 2.186,408 1.223,409 1.685,411 2.924,412 1.177,413 2.437,414 1.256,415 3.487,416 2.021,417 1.086,418 1.42,420 2.559,421 1.008,422 2.106,423 1.176,424 3.421,425 1.952,426 1,427 1.032,428 2.136,429 0.946,430 2,431 0.938,432 3.247,433 1.775,434 0.828,435 1,436 2.051,437 0.78,438 1.594,439 0.895,440 2.981,441 1.371,442 0.434,443 0.489,445 1.015,446 0.401,447 1.583,448 0.524,449 2.749,450 1.319,451 0.416,452 0.474,454 0.621,455 0.374,456 1.007,457 -0.209,458 2.694,459 0.604,460 -0.338,461 -0.422,463 -0.906,464 -0.316,465 13.167,466 0.47,467 0.606,468 0.022,469 34,470 1.214,471 14.5,472 0.518,473 19.5,474 0.696,475 24.557,476 0.877,477 31.233,478 0.568,479 26.231,480 0.937,481 6.898,482 0.246,483 6.755,484 0.241,485 0.101,487 0.319,493 0.957,494 1.665,495 0.849,496 1.283,497 0.944,498 1.086,499 1.389,500 0.911,501 0.981,502 0.759,503 0.97,504 0.794,505 0.916,506 1.258,507 1.004,508 1.112,509 0.665,510 1.075,511 0.783,512 1.015,513 0.86,514 0.909,515 0.894,516 0.888,517 0.863,518 1.035,519 0.865,520 0.871,521 0.774,522 0.853,523 1.025,524 1.169,525 1.139,526 1.085,527 0.836,528 1.102,529 0.88,530 1.041,531 1.196,532 1.179,533 0.808,534 1.215,535 0.579,536 1.12,537 0.97,538 1.21,539 0.555,540 1.161,541 5,542 0.128,543 2.889,544 1.382,545 1.418,546 1.261,547 0.638,548 0.37,549 0.373,550 0.197,551 8848,552 20767,553 2.115,554 49.1,556 25,557 1,559 1,564 1.72,565 2,566 3.214,567 -0.323,568 1,569 1,573 83.745,574 1.523,575 3.462,576 4.561,577 4.99,578 4.99,579 4.99,580 2.535,581 4.45,582 4.773,583 3.377,584 1276.59,585 8.355,586 16525.9,588 1,590 1,591 317.975,592 1.333,593 4.748,594 0.161,595 0.008,596 0.067,597 0.031,598 0.033,599 0.027,600 0.014,601 0.009,602 0.011,603 0.008,604 0.37,605 0.33,606 1,607 1.132,608 137.955,609 -0.033,610 -0.396,611 0.077,612 -0.153,613 -0.078,614 -0.045,615 -0.153,616 0.246,617 0.021,618 0.218,619 -0.065,620 0.155,621 -0.021,622 -0.154,623 -0.048,624 -0.088,625 0.036,626 -0.078,627 0.031,628 0.009,629 0.111,630 0.057,631 -0.006,632 0.089,633 0.001,634 0.046,635 0.105,636 0.105,637 0.023,638 0.122,639 -0.089,640 -0.002,641 -0.177,642 -0.084,643 -0.009,644 -0.128,645 -0.013,646 0.046,647 -0.241,648 -0.171,649 -0.106,650 -0.226,651 0.119,652 -0.154,653 -0.032,654 -0.169,655 0.096,656 -0.13,657 1.494,658 3.5,659 0.75,660 26.541,661 0.998,662 1.136,663 2.721,664 7.402,665 0.642,666 3.466,667 3.784,668 4.078,669 4.382,670 4.673,671 4.828,672 5.05,673 5.226,674 5.323,675 5.394,676 5.896,677 0.606,678 381.53,679 3.466,680 5.004,681 5.861,682 6.746,683 7.631,684 8.529,685 9.428,686 10.334,687 11.24,688 12.151,689 9.1,692 1,695 1,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,726 1,731 55,733 16,734 1,735 31,737 58,738 21,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 9,778 1,781 27,782 6,783 1,784 7,790 5,794 0.75,795 2,796 1,806 1,807 1,811 1,812 3,815 1,836 1,838 1,839 1,840 3,844 2,848 28,853 1,854 7,856 1,859 2,870 3.6,871 1,874 1,877 14,878 10.367,879 6.222,880 3.246,881 3.046,882 1.397,883 0.965,884 5.807,885 10.71,886 3.689,887 4.287,888 4.925,889 5.574,890 6.163,891 6.598,892 7.117,893 7.576,894 7.898,895 8.247,896 0.714,897 44,898 10.361,900 4.322,901 7.571,902 20.239,904 16.571,905 2.071,906 58,910 306.049,911 106.144,912 41.719,914 53.683,917 106.144,918 359.732,919 41.719,920 16.793,921 17.608,922 99.112,923 46.286,924 19.42,925 14.099,926 294.278,928 306.049,929 147.863,930 53.683,933 308.377,935 53.683,937 24.346,938 87.618,939 33.571,941 306.049,942 95.402,943 106.144,946 306.049,947 32.923,948 81.369,950 87.254,951 306.049,952 95.402,953 106.144,955 0.573,956 0.33,957 0.183,958 0.109,959 21,960 9,961 0.103,962 6,963 1,964 1.095,965 3.89,966 252.703,967 0.095,968 21,969 128.606,974 19.186,975 8.475,976 4.17,977 2.019,978 93.503,979 12.011,980 9.841,984 3.427,985 2.195,986 42.683,987 507.595,988 39,999 54.883,1000 62.478,1001 0.263,1002 0.599,1003 0.789,1004 0.863,1005 0.863,1006 0.863,1007 4.927,1008 1.482,1009 5.838,1010 4.191,1011 4.466,1012 4.973,1013 1.717,1014 6.658,1015 4.351,1016 6.118,1017 1.223,1018 7.396,1019 3.878,1020 4.007,1021 4.796,1022 0.57,1023 7.582,1024 3.844,1025 7.423,1026 1.086,1027 9.057,1028 2.924,1029 6.057,1030 7.206,1031 1.308,1032 10.713,1033 5.842,1034 8.769,1035 1,1036 10.781,1037 2.559,1038 6.447,1039 7.932,1040 0.479,1041 12.503,1042 6.187,1043 10.155,1044 0.828,1045 12.546,1046 2.136,1047 7.948,1048 9.805,1049 1.012,1050 15.151,1051 7.639,1052 11.567,1053 0.434,1054 14.342,1055 2.051,1056 8.737,1057 10.953,1058 0.346,1059 17.297,1060 8.384,1061 13.002,1062 0.416,1063 16.158,1064 1.015,1065 10.018,1066 12.611,1067 0.775,1068 19.787,1069 9.616,1070 3.256,1071 -0.338,1072 17.992,1073 0.621,1074 11.001,1075 13.96,1076 0.237,1077 22.086,1078 10.552,1079 2.811,1080 11.399,1081 19.838,1082 -0.906,1083 12.196,1084 15.531,1085 0.585,1086 24.525,1087 11.698,1088 2.68,1089 9.064,1090 21.694,1091 4.627,1092 13.273,1093 16.974,1094 0.158,1095 26.892,1096 12.724,1097 2.318,1098 8.836,1099 23.559,1100 3.816,1101 14.439,1102 18.514,1103 0.435,1104 29.317,1105 13.84,1106 2.212,1107 6.711,1108 25.431,1109 3.294,1110 15.561,1111 20.001,1112 0.104,1113 31.716,1114 14.909,1115 1.947,1116 5.932,1117 27.309,1118 3.03,1119 16.721,1120 21.53,1121 0.32,1122 34.139,1123 16.017,1124 1.523,1125 5.07,1126 29.192,1127 2.33,1128 17.866,1129 23.038,1130 0.068,1131 36.554,1132 17.108,1133 8562,1134 13237,1135 20.978,1136 35.313,1137 46.505,1138 46.932,1139 47.423,1140 46.451,1141 46.433,1142 58.711,1143 6.449,1144 132.77,1145 43.666,1146 5.675,1147 5.35,1148 6.644,1149 5.307,1150 5.256,1151 7.627,1152 1.72,1153 18.81,1154 5.086,1155 12.28,1156 1.5,1157 1.514,1158 1.53,1159 1.498,1160 1.498,1161 1.894,1162 0.208,1163 4.283,1164 1.409,1165 4.142,1166 4.187,1167 4.114,1168 4.007,1169 6.457,1170 4.027,1171 3.896,1172 3.925,1173 3.835,1174 3.828,1175 5.08,1176 3.827,1177 3.748,1178 3.811,1179 3.634,1180 3.523,1181 4.68,1182 3.54,1183 3.633,1184 3.717,1185 3.489,1186 3.411,1187 4.615,1188 3.418,1189 3.349,1190 3.412,1191 3.262,1192 3.152,1193 4.394,1194 3.169,1195 3.205,1196 3.266,1197 3.057,1198 2.993,1199 4.269,1200 2.994,1201 3.111,1202 3.206,1203 2.919,1204 2.941,1205 3.995,1206 2.91,1207 3.076,1208 3.151,1209 2.866,1210 2.906,1211 3.642,1212 2.895,1213 0.151,1214 0.108,1215 0.221,1216 0.136,1217 0.105,1218 4.675,1219 0.149,1220 3.35,1221 0.028,1222 6.842,1223 0.368,1224 4.203,1225 0.1,1226 3.256,1227 4.627,1228 0.86,1229 11.399,1230 3.086,1231 1.96,1232 1.932,1233 2.046,1234 2.09,1235 1.229,1236 2.072,1237 1.806,1238 1.767,1239 1.943,1240 1.96,1241 1.171,1242 1.963,1243 1.697,1244 1.624,1245 1.916,1246 1.94,1247 1.149,1248 1.937,1249 1.579,1250 1.529,1251 1.737,1252 1.785,1253 0.891,1254 1.775,1255 1.439,1256 1.357,1257 1.681,1258 1.677,1259 0.825,1260 1.683,1261 1.207,1262 1.157,1263 1.513,1264 1.456,1265 0.776,1266 1.457,1267 1.153,1268 1.064,1269 1.468,1270 1.376,1271 0.596,1272 1.429,1273 1.075,1274 0.999,1275 1.417,1276 1.299,1277 0.479,1278 1.334,1279 4.143,1281 5.46,1282 2.398,1283 6.976,1284 4.727,1285 8.587,1286 6.843,1287 10.254,1289 4.15,1294 9.5,1295 4.883,1297 5.525,1300 4.449,1305 33.331,1306 83.745,1307 190.417,1308 250.855,1309 274.465,1310 274.465,1311 274.465,1312 39.077,1313 7.664,1314 66.65,1315 66.65,1316 23,1317 12.667,1318 4.087,1319 3.17,1320 41.982,1321 100,1322 99,1323 0.213,1324 204.108,1325 343.82,1326 489.784,1327 20254,1329 19.51,1330 0.697,1331 0.589,1332 19.51,1333 16.505,1334 13.652,1335 0.44,1336 0.313,1337 9.513,1338 12.993,1339 9.246,1340 7.65,1341 13.652,1342 9.7,1343 12.131,1344 0.282,1345 0.172,1346 12.131,1347 7.378,1348 10.164,1349 0.175,1350 0.087,1351 10.164,1352 5.065,1353 8.58,1354 0.109,1355 0.044,1356 8.58,1357 3.491,1358 7.353,1359 0.069,1360 0.023,1361 7.353,1362 2.458,1363 0.323,1364 86.368,1365 0.218,1366 26.202,1367 0.622,1368 148,1369 404.111,1370 162.836,1371 386.072,1372 535.08,1373 366,1374 175,1375 392.18,1376 191.948,1377 400.004,1378 591.31,1379 374,1380 7.377}
{0 CHEMBL1089823,1 1.547,2 11.394,3 3.057,4 9.343,5 124.816,6 7.636,7 0.432,8 4.205,9 4.298,10 3.789,11 3.697,12 5.334,13 3.706,14 4.756,15 4.909,16 4.176,17 4.099,18 5.835,19 4.102,20 4.971,21 5.137,22 4.259,23 4.263,24 6.082,25 4.236,26 5.074,27 5.261,28 4.225,29 4.32,30 6.239,31 4.24,32 5.123,33 5.357,34 4.131,35 4.253,36 6.087,37 4.169,38 5.039,39 5.256,40 4.182,41 4.236,42 6.096,43 4.177,44 5.008,45 5.176,46 4.185,47 4.285,48 6.066,49 4.228,50 5.091,51 5.279,52 4.183,53 4.299,54 6.163,55 4.217,56 0.119,57 0.815,58 11.951,59 5.648,60 14.329,61 6.701,62 0.407,63 1.35,64 23.852,65 8.946,66 29.156,67 11.102,68 0.711,69 1.627,70 30.591,71 11.332,72 50.728,73 14.142,74 0.717,75 1.765,76 34.034,77 13.828,78 90.932,79 18.398,80 0.722,81 1.781,82 39.258,83 13.758,84 68.023,85 18.861,86 0.739,87 1.685,88 35.132,89 12.409,90 70.037,91 16.792,92 0.655,93 1.645,94 31.788,95 12.472,96 57.182,97 15.587,98 0.672,99 1.745,100 35.167,101 14.03,102 60.753,103 18.285,104 27,105 54,106 0.25,107 0.605,108 0.778,109 0.848,110 0.859,111 0.859,112 3.532,113 0.886,114 -2.51,115 -2.54,116 -2.48,119 42.4,120 1,124 1,125 6,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 10,180 4,183 8,186 3,187 7,195 7,199 6,202 3,203 1,204 2,207 6,211 2,212 8,217 1,220 5,223 2,224 8,227 1,229 2,232 4,236 1,237 3,242 2,245 4,249 3,250 7,253 1,255 3,258 4,262 1,263 5,266 1,268 3,271 2,275 2025,276 22.386,277 22.386,278 22.386,279 22.386,280 22.386,281 20.118,282 27.384,283 12.905,284 23.103,285 18.189,286 18.189,287 18.189,288 18.189,289 18.189,290 14.526,291 31.988,292 6.069,293 19.245,294 4.336,295 2.139,296 1.07,297 0.636,298 0.568,299 0.568,300 4.238,304 1,305 1,306 826,307 3.24,310 132.615,311 273.365,314 255.776,318 1.8,319 41.303,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73,331 376,332 4.772,333 3.761,334 7.021,335 4.323,336 3.352,337 4.739,338 0.86,339 11.994,340 3.259,341 4.587,342 3.401,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.922,352 5.826,353 3.48,354 2.54,355 3.395,356 0.86,357 7.916,358 2.425,359 3.832,360 2.889,361 5.696,362 3.464,363 2.512,364 3.281,365 0.8,366 7.524,367 2.354,368 3.568,369 2.794,370 5.57,371 3.38,372 2.441,373 2.9,375 7.007,376 2.282,377 3.484,378 2.582,379 5.331,380 3.119,381 2.155,382 2.619,384 6.846,385 2.066,386 3.342,387 2.301,388 5.164,389 2.941,390 2.007,391 2.56,393 6.031,394 1.861,395 3.26,396 2.256,397 5.14,398 2.856,399 1.903,400 2.474,402 5.993,403 1.805,404 3.195,405 2.153,406 4.957,407 2.755,408 1.792,409 2.419,411 5.499,412 1.712,413 2.732,414 2.103,415 4.26,416 2.385,417 1.508,418 1.678,420 3.436,421 1.318,422 2.552,423 1.846,424 3.874,425 2.223,426 1.243,427 1.549,428 3.219,429 1.2,430 2.384,431 1.256,432 3.653,433 2.027,434 1.068,435 1.344,436 2.703,437 1.015,438 2,439 1.243,440 3.452,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.789,448 1.046,449 3.247,450 1.63,451 0.68,452 0.739,454 1.716,455 0.641,456 1.673,457 0.872,458 3.055,459 1.399,460 0.52,461 0.579,463 0.913,464 0.452,465 15.3,466 0.464,467 0.887,468 0.027,469 41.25,470 1.25,471 19,472 0.576,473 22.25,474 0.674,475 30.376,476 0.92,477 36.3,478 0.615,479 34.939,480 1.059,481 8.395,482 0.254,483 7.562,484 0.229,485 0.131,487 0.412,493 0.892,494 1.339,495 0.764,496 1.133,497 0.799,498 0.956,499 1.101,500 1.028,501 0.831,502 0.863,503 0.635,504 0.782,505 1.056,506 0.894,507 1.003,508 0.899,509 0.873,510 0.917,511 0.514,512 1.238,513 0.935,514 1.246,515 0.53,516 1.198,517 0.803,518 0.983,519 0.876,520 0.943,521 0.829,522 0.929,523 0.776,524 0.902,525 0.83,526 0.858,527 0.584,528 0.849,529 1.032,530 1.057,531 1.104,532 1.073,533 1.041,534 1.097,535 0.749,536 1.202,537 1.033,538 1.264,539 0.807,540 1.23,541 6.5,542 0.229,543 3.778,544 3.778,545 1.899,546 1.505,547 0.967,548 0.617,549 0.548,550 0.342,551 14919,552 41292,553 2.112,554 44.1,556 21,559 2,560 3,564 1.758,565 1.96,566 3.458,567 0.192,569 1,573 91.258,574 1.547,575 3.744,576 4.813,577 5.247,578 5.315,579 5.315,580 2.948,581 4.863,582 5.013,583 3.64,584 1921.98,585 8.815,586 27980.1,588 1,591 347.076,592 1.459,593 4.969,594 0.176,595 0.007,596 0.07,597 0.066,598 0.037,599 0.031,600 0.019,601 0.012,602 0.011,603 0.009,604 0.437,605 0.33,606 0.88,607 0.718,608 172.827,609 -0.081,610 -0.174,611 0.049,612 -0.054,613 -0.09,614 0.01,615 -0.153,616 0.095,617 0.078,618 0.135,619 0.009,620 0.162,621 -0.084,622 0.2,623 -0.075,624 0.092,625 -0.015,626 0.031,627 0.216,628 -0.217,629 -0.026,630 -0.216,631 0.282,632 -0.183,633 0.009,634 -0.007,635 0.105,636 0.037,637 -0.022,638 0.081,639 0.05,640 0.119,641 0.133,642 0.123,643 0.141,644 0.145,645 -0.112,646 -0.016,647 -0.184,648 -0.054,649 -0.12,650 -0.119,651 0.08,652 -0.203,653 -0.104,654 -0.241,655 0.016,656 -0.225,657 2.084,658 5.958,659 0.727,660 34.639,661 1.013,662 1.123,663 1.282,664 1.645,665 0.659,666 3.638,667 4.007,668 4.344,669 4.673,670 4.913,671 5.069,672 5.247,673 5.434,674 5.541,675 5.67,676 6.856,677 0.638,678 450.53,679 3.638,680 5.209,681 6.094,682 7.004,683 7.907,684 8.827,685 9.74,686 10.665,687 11.584,688 12.513,689 3.4,692 1,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 59,733 18,734 2,735 37,737 63,738 25,739 14,740 7,741 5,742 3,746 5,747 7,752 1,761 17,762 8,766 2,771 1,773 1,775 2,778 1,781 26,782 7,783 2,784 8,790 2,794 0.6,795 6,807 1,811 2,812 3,815 2,831 2,836 1,839 1,840 3,844 2,848 33,853 2,854 6,856 3,859 1,870 10.2,872 2,873 1,874 1,875 2,877 16.833,878 11.217,879 7.167,880 3.482,881 3.87,882 1.462,883 0.965,884 5.99,885 12.24,886 3.871,887 4.519,888 5.171,889 5.823,890 6.384,891 6.813,892 7.252,893 7.711,894 8.025,895 8.437,896 0.875,897 57,898 12.281,900 5.407,901 7.828,902 23.289,904 19.548,905 2.328,906 76.833,909 1,910 282.506,911 128.882,912 5.023,914 143.511,917 128.882,918 426.018,919 5.023,920 19.708,921 17.608,922 56.857,923 131.888,924 46.454,925 4.901,926 282.506,928 282.506,929 133.906,930 143.511,933 282.506,934 132.511,935 11,937 31.456,938 87.73,939 14.72,941 282.506,942 148.535,943 128.882,946 282.506,947 52.316,948 81.589,950 143.511,951 282.506,952 148.535,953 128.882,955 0.589,956 0.358,957 0.201,958 0.109,959 28,960 13,961 0.079,962 5,963 2,964 1.167,965 4.29,966 325.779,967 0.167,968 24,969 162.465,974 22.133,975 8.931,976 4.072,977 1.984,978 146.636,979 8.373,984 2.312,985 2.243,986 85.367,987 559.923,988 47,993 12.958,995 1.709,997 -0.317,999 59.771,1000 66.235,1001 0.263,1002 0.636,1003 0.818,1004 0.892,1005 0.903,1006 0.903,1007 5.147,1008 1.903,1009 6.103,1010 6.031,1011 4.691,1012 5.207,1013 1.856,1014 6.976,1015 4.595,1016 6.377,1017 1.792,1018 7.7,1019 5.993,1020 4.369,1021 5.19,1022 0.325,1023 7.982,1024 4.245,1025 7.715,1026 1.508,1027 9.398,1028 5.499,1029 6.344,1030 7.486,1031 1.557,1032 11.142,1033 6.18,1034 9.092,1035 1.243,1036 11.154,1037 3.436,1038 6.847,1039 8.31,1040 0.268,1041 13.007,1042 6.666,1043 10.504,1044 1.068,1045 12.95,1046 3.219,1047 8.311,1048 10.121,1049 1.308,1050 15.703,1051 8.099,1052 11.942,1053 1,1054 14.773,1055 2.703,1056 9.197,1057 11.334,1058 0.188,1059 17.934,1060 8.97,1061 13.402,1062 0.68,1063 16.618,1064 2.136,1065 10.476,1066 12.967,1067 1.087,1068 20.477,1069 10.223,1070 3.352,1071 0.52,1072 18.479,1073 1.716,1074 11.537,1075 14.36,1076 0.125,1077 22.855,1078 11.266,1079 3.237,1080 11.994,1081 20.355,1082 0.913,1083 12.752,1084 15.927,1085 0.89,1086 25.347,1087 12.457,1088 2.54,1089 11.383,1090 22.243,1091 4.739,1092 13.889,1093 17.4,1094 0.082,1095 27.78,1096 13.573,1097 2.512,1098 7.916,1099 24.14,1100 4.248,1101 15.085,1102 18.946,1103 0.718,1104 30.255,1105 14.745,1106 2.441,1107 7.524,1108 26.045,1109 3.395,1110 16.254,1111 20.456,1112 0.054,1113 32.71,1114 15.891,1115 2.155,1116 7.007,1117 27.957,1118 3.281,1119 17.447,1120 21.996,1121 0.571,1122 35.18,1123 17.059,1124 2.007,1125 6.846,1126 29.874,1127 2.9,1128 18.631,1129 23.523,1130 0.035,1131 37.643,1132 18.218,1133 14000,1134 23502,1135 24.679,1136 38.875,1137 56.391,1138 58.372,1139 58.661,1140 56.148,1141 56.165,1142 71.335,1143 6.76,1144 169.188,1145 53.217,1146 5.772,1147 5.761,1148 6.823,1149 5.426,1150 5.352,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 16.882,1156 1.524,1157 1.578,1158 1.585,1159 1.518,1160 1.518,1161 1.928,1162 0.183,1163 4.573,1164 1.438,1165 4.174,1166 4.201,1167 4.144,1168 4.086,1169 7.428,1170 4.097,1171 3.975,1172 3.975,1173 3.952,1174 3.878,1175 6.492,1176 3.894,1177 3.798,1178 3.858,1179 3.678,1180 3.583,1181 6.445,1182 3.597,1183 3.579,1184 3.611,1185 3.507,1186 3.455,1187 4.97,1188 3.462,1189 3.47,1190 3.494,1191 3.4,1192 3.299,1193 4.755,1194 3.316,1195 3.277,1196 3.335,1197 3.125,1198 3.091,1199 4.628,1200 3.088,1201 3.192,1202 3.272,1203 2.991,1204 2.941,1205 4.575,1206 2.936,1207 3.111,1208 3.206,1209 2.923,1210 2.935,1211 4.139,1212 2.91,1213 0.129,1214 0.102,1215 0.19,1216 0.117,1217 0.091,1218 4.772,1219 0.128,1220 3.761,1221 0.023,1222 7.021,1223 0.324,1224 4.323,1225 0.088,1226 3.352,1227 4.739,1228 0.86,1229 11.994,1230 3.259,1231 1.942,1232 1.924,1233 2.024,1234 2.052,1235 1.286,1236 2.045,1237 1.851,1238 1.845,1239 1.961,1240 1.975,1241 1.171,1242 1.973,1243 1.778,1244 1.727,1245 1.911,1246 1.952,1247 1.071,1248 1.936,1249 1.672,1250 1.626,1251 1.844,1252 1.858,1253 1.032,1254 1.855,1255 1.425,1256 1.395,1257 1.632,1258 1.635,1259 0.825,1260 1.624,1261 1.256,1262 1.201,1263 1.56,1264 1.494,1265 0.824,1266 1.506,1267 1.185,1268 1.111,1269 1.514,1270 1.475,1271 0.602,1272 1.501,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.562,1278 1.429,1279 4.317,1281 5.673,1282 3.045,1283 7.223,1284 5.587,1285 8.863,1286 7.818,1287 10.553,1289 3.644,1294 19.889,1295 5.024,1297 16.633,1300 2.381,1305 37.653,1306 91.258,1307 220.898,1308 283.957,1309 309.566,1310 313.566,1311 313.566,1312 65.526,1313 8.37,1314 97.3,1315 97.3,1316 28,1317 13.018,1318 4.248,1319 3.459,1320 47.556,1321 131,1322 150,1323 0.172,1324 224.831,1325 397.54,1326 540.349,1327 52110,1329 23.112,1330 0.7,1331 0.565,1332 23.112,1333 18.629,1334 15.957,1335 0.431,1336 0.295,1337 10.721,1338 15.132,1339 10.468,1340 8.572,1341 15.957,1342 10.932,1343 14.665,1344 0.272,1345 0.153,1346 14.665,1347 8.266,1348 12.936,1349 0.17,1350 0.083,1351 12.936,1352 6.335,1353 11.388,1354 0.107,1355 0.043,1356 11.388,1357 4.56,1358 8.98,1359 0.067,1360 0.023,1361 8.98,1362 3.1,1363 0.266,1364 101.554,1365 0.201,1366 30.278,1367 0.488,1368 182,1369 570.532,1370 203.105,1371 532.303,1372 727.12,1373 500,1374 221,1375 533.785,1376 243.024,1377 534.667,1378 793.29,1379 503,1380 7.959}
{0 CHEMBL1090043,1 1.487,2 9.464,3 3.796,4 14.407,5 107.656,6 8.373,7 0.688,8 3.922,9 4.005,10 3.598,11 3.55,12 5.133,13 3.549,14 4.399,15 4.516,16 3.991,17 3.949,18 5.58,19 3.943,20 4.612,21 4.747,22 4.069,23 4.052,24 5.84,25 4.03,26 4.672,27 4.83,28 4.029,29 4.044,30 5.949,31 4.007,32 4.628,33 4.782,34 3.917,35 4.006,36 5.787,37 3.952,38 4.647,39 4.838,40 3.901,41 3.962,42 5.755,43 3.904,44 4.574,45 4.758,46 3.85,47 3.877,48 5.742,49 3.835,50 4.536,51 4.721,52 3.708,53 3.787,54 5.716,55 3.731,56 0.048,57 0.557,58 6.763,59 3.742,60 8.723,61 4.113,62 0.129,63 0.94,64 12.282,65 6.059,66 12.488,67 6.834,68 0.263,69 1.113,70 17.02,71 8.052,72 32.77,73 9.225,74 0.423,75 1.206,76 19.607,77 8.521,78 59.913,79 9.929,80 0.29,81 1.145,82 18.221,83 8.272,84 36.619,85 9.419,86 0.317,87 1.213,88 20.421,89 8.569,90 37.32,91 10.594,92 0.286,93 1.11,94 19.081,95 7.914,96 34.268,97 9.436,98 0.347,99 1.043,100 19.033,101 7.745,102 45.172,103 8.876,104 10,105 47,106 0.251,107 0.59,108 0.747,109 0.841,110 0.872,111 0.872,112 3.376,113 0.833,114 -4.43,115 -4.36,116 -4.11,119 52.3,124 1,135 1,138 1,142 9,143 5,144 2,145 1,151 1,157 1,161 1,172 13,174 1,175 8,180 2,183 16,186 1,187 7,192 1,195 14,199 9,202 2,204 1,207 11,211 1,212 7,217 1,220 10,223 2,224 8,229 1,232 7,236 1,237 8,242 1,245 6,250 7,253 1,255 1,258 6,263 5,266 1,268 2,271 8,275 1168,276 19.206,277 19.206,278 19.206,279 19.206,280 19.206,281 16.283,282 11.91,283 11.143,284 19.48,285 15.805,286 15.805,287 15.805,288 15.805,289 15.805,290 11.368,291 13.584,292 5.272,293 16.267,294 3.973,295 1.961,296 1.029,297 0.472,298 0.29,299 0.29,300 4.086,303 1,304 1,305 1,306 593,307 2.55,310 103.049,311 209.299,314 200.966,318 1.393,319 27.159,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 265,332 4.748,333 3.756,334 6.999,335 4.297,336 3.319,337 4.726,338 0.86,339 11.953,340 3.25,341 4.568,342 3.31,343 6.862,344 4.2,345 3.221,346 4.204,348 11.345,349 3.153,350 4.057,351 2.818,352 6.064,353 3.653,354 2.674,355 3.641,357 8.683,358 2.62,359 3.832,360 2.694,361 5.735,362 3.361,363 2.397,364 3.258,366 7.613,367 2.305,368 3.442,369 2.569,370 5.373,371 2.986,372 2.025,373 2.85,375 6.31,376 1.943,377 3.356,378 2.164,379 5.074,380 2.893,381 1.931,382 2.69,384 5.752,385 1.878,386 3.279,387 1.973,388 4.86,389 2.874,390 1.898,391 2.523,393 5.203,394 1.805,395 2.935,396 1.765,397 4.404,398 2.427,399 1.463,400 2.081,402 3.902,403 1.407,404 2.863,405 1.488,406 4.23,407 2.4,408 1.42,409 2.004,411 3.604,412 1.386,413 2.672,414 1.342,415 3.716,416 2.175,417 1.195,418 1.748,420 2.844,421 1.168,422 2.549,423 1.208,424 3.565,425 2.026,426 1.039,427 1.5,428 2.491,429 1.012,430 2.5,431 1,432 3.5,433 2,434 1,435 1.476,436 2.331,437 1,438 2.357,439 0.986,440 3.247,441 1.888,442 0.93,443 1.27,445 2.136,446 0.884,447 1.402,448 0.654,449 3.003,450 0.95,451 -0.014,452 -0.018,454 -0.039,455 -0.013,456 1.08,457 0.074,458 2.533,459 0.667,460 -0.284,461 -0.36,463 -0.648,464 -0.264,465 13.3,466 0.475,467 0.713,468 0.025,469 42.25,470 1.509,471 24,472 0.857,473 18.25,474 0.652,475 18.746,476 0.669,477 27.5,478 0.625,479 32.455,480 1.159,481 8.517,482 0.304,483 5.114,484 0.183,485 0.088,487 0.406,493 0.799,494 1.065,495 0.675,496 0.885,497 0.73,498 0.783,499 0.83,500 0.903,501 0.737,502 0.858,503 0.62,504 0.784,505 0.922,506 1.096,507 0.863,508 1.026,509 0.859,510 0.954,511 0.909,512 0.978,513 0.953,514 0.971,515 0.836,516 0.962,517 1.081,518 1.115,519 1.134,520 1.104,521 1.082,522 1.128,523 0.821,524 1.055,525 0.945,526 1.002,527 0.888,528 0.995,529 1.047,530 1.03,531 0.948,532 0.977,533 0.775,534 0.948,535 1.314,536 0.995,537 1.13,538 1.006,539 1.42,540 1.032,541 4.5,542 0.081,543 3.333,544 3.271,545 1.343,546 1.053,547 0.595,548 0.507,549 0.394,550 0.199,551 9524,552 25944,553 2.177,554 36.4,556 13,557 1,558 1,559 1,564 1.716,565 2.049,566 3.237,567 -0.394,569 1,573 65.418,574 1.487,575 3.498,576 4.43,577 4.988,578 5.17,579 5.17,580 2.673,581 4.522,582 4.782,583 3.384,584 1279.33,585 8.342,586 16200.2,588 1,590 1,591 240.215,592 1.375,593 4.745,594 0.141,595 0.005,596 0.071,597 0.067,598 0.029,599 0.026,600 0.015,601 0.013,602 0.012,603 0.008,604 0.386,605 0.33,606 0.88,607 0.517,608 137.617,609 -0.061,610 -0.082,611 0.039,612 0.007,613 -0.112,614 0.032,615 -0.034,616 0.123,617 0.05,618 0.042,619 -0.016,620 0.063,621 0.052,622 -0.132,623 0.017,624 -0.081,625 0.034,626 -0.047,627 0.12,628 0.015,629 -0.013,630 -0.017,631 0.185,632 -0.028,633 -0.1,634 -0.142,635 -0.215,636 -0.149,637 -0.128,638 -0.196,639 0.059,640 -0.042,641 0.041,642 -0.033,643 -0.032,644 -0.008,645 -0.026,646 -0.027,647 0.05,648 -0.007,649 0.066,650 0.028,651 -0.117,652 -0.018,653 -0.096,654 -0.02,655 -0.125,656 -0.049,657 1.991,658 5.744,659 0.857,660 21.837,661 1.008,662 1.103,663 3.202,664 10.25,665 0.721,666 3.497,667 3.871,668 4.234,669 4.585,670 4.812,671 4.913,672 5.112,673 5.283,674 5.38,675 5.481,676 5.837,677 0.702,678 368.41,679 3.497,680 5.069,681 5.964,682 6.88,683 7.792,684 8.715,685 9.633,686 10.559,687 11.481,688 12.408,689 4.5,697 1,699 1,703 2,704 11,705 1,709 6,710 1,711 22,716 1,728 1,729 1,731 44,733 24,734 2,735 32,737 48,738 23,739 19,740 4,741 8,742 3,746 5,747 7,761 22,762 1,766 2,771 1,773 1,775 2,778 1,781 16,782 4,783 1,784 5,790 2,794 0.6,795 3,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 1,848 28,853 1,856 1,870 6.8,872 1,873 1,875 1,877 13.667,878 8.433,879 6,880 2.553,881 4.985,882 1.609,883 1.035,884 3.813,885 13.17,886 3.829,887 4.514,888 5.21,889 5.883,890 6.458,891 6.835,892 7.353,893 7.845,894 8.225,895 8.666,896 1,897 49,898 10.352,900 4.603,901 7.792,902 19.544,904 16.522,905 2.292,906 64.167,909 1,910 176.567,911 153.905,912 18.685,914 78.828,917 153.905,918 255.395,919 18.685,920 8.396,922 103.81,923 108.477,924 42.505,925 11.771,926 153.024,928 176.567,929 172.589,930 78.828,933 176.567,934 78.828,937 12.662,938 128.422,939 31.505,941 176.567,942 97.513,943 153.905,946 176.567,947 32.651,948 123.153,950 95.614,951 176.567,952 97.513,953 153.905,955 0.591,956 0.365,957 0.214,958 0.115,959 26,960 11,961 0.042,962 2,963 2,964 1.167,965 3.898,966 266.902,967 0.167,968 24,969 130.606,974 16.784,975 6.361,976 2.654,977 1.763,978 95.614,979 20.544,980 4.503,984 3.438,985 1.929,986 42.683,987 427.984,988 45,993 12.744,995 1.72,997 -0.137,999 44.371,1000 48.531,1001 0.272,1002 0.641,1003 0.811,1004 0.914,1005 0.947,1006 0.947,1007 5.078,1008 1.463,1009 5.969,1010 5.203,1011 4.554,1012 5.201,1013 0.908,1014 6.858,1015 4.5,1016 6.325,1017 1.42,1018 7.572,1019 3.902,1020 4.205,1021 5.075,1023 7.897,1024 4.124,1025 7.663,1026 1.195,1027 9.279,1028 3.604,1029 6.213,1030 7.508,1031 0.739,1032 11.075,1033 6.114,1034 9.042,1035 1.039,1036 11.049,1037 2.844,1038 6.723,1039 8.253,1041 12.981,1042 6.602,1043 10.457,1044 1,1045 12.859,1046 2.491,1047 8.203,1048 10.141,1049 0.593,1050 15.676,1051 8.066,1052 11.898,1053 0.93,1054 14.696,1055 2.331,1056 9.101,1057 11.303,1059 17.922,1060 8.943,1061 13.36,1062 -0.014,1063 16.555,1064 2.136,1065 10.385,1066 12.971,1067 0.469,1068 20.459,1069 10.21,1070 3.319,1071 -0.284,1072 18.428,1073 -0.039,1074 11.45,1075 14.332,1077 22.838,1078 11.254,1079 3.221,1080 11.953,1081 20.314,1082 -0.648,1083 12.664,1084 15.913,1085 0.366,1086 25.323,1087 12.45,1088 2.674,1089 11.345,1090 22.209,1091 4.726,1092 13.799,1093 17.367,1095 27.753,1096 13.563,1097 2.397,1098 8.683,1099 24.111,1100 4.204,1101 14.99,1102 18.915,1103 0.283,1104 30.222,1105 14.735,1106 2.025,1107 7.613,1108 26.02,1109 3.641,1110 16.154,1111 20.413,1113 32.672,1114 15.878,1115 1.931,1116 6.31,1117 27.933,1118 3.258,1119 17.339,1120 21.952,1121 0.217,1122 35.137,1123 17.043,1124 1.898,1125 5.752,1126 29.851,1127 2.85,1128 18.516,1129 23.472,1131 37.596,1132 18.198,1133 8805,1134 14689,1135 21.789,1136 31.705,1137 49.758,1138 50.747,1139 51.011,1140 49.089,1141 49.023,1142 67.939,1143 1.72,1144 148.331,1145 47.623,1146 5.563,1147 5.756,1148 6.801,1149 5.362,1150 5.319,1151 7.726,1152 1.72,1153 19.35,1154 5.25,1155 11.506,1156 1.555,1157 1.586,1158 1.594,1159 1.534,1160 1.532,1161 2.123,1162 0.054,1163 4.635,1164 1.488,1165 4.163,1166 4.193,1167 4.137,1168 4.074,1169 7.428,1170 4.085,1171 3.972,1172 3.976,1173 3.944,1174 3.883,1175 6.468,1176 3.895,1177 3.843,1178 3.879,1179 3.775,1180 3.767,1181 5.036,1182 3.766,1183 3.49,1184 3.52,1185 3.429,1186 3.382,1187 4.801,1188 3.388,1189 3.394,1190 3.45,1191 3.293,1192 3.228,1193 4.719,1194 3.238,1195 3.068,1196 3.12,1197 2.964,1198 2.903,1199 4.383,1200 2.907,1201 2.967,1202 2.984,1203 2.879,1204 2.761,1205 4.245,1206 2.78,1207 2.865,1208 2.93,1209 2.729,1210 2.735,1211 3.912,1212 2.72,1213 0.148,1214 0.117,1215 0.219,1216 0.134,1217 0.104,1218 4.748,1219 0.148,1220 3.756,1221 0.027,1222 6.999,1223 0.374,1224 4.297,1225 0.102,1226 3.319,1227 4.726,1228 0.86,1229 11.953,1230 3.25,1231 1.994,1232 1.973,1233 2.074,1234 2.069,1235 1.211,1236 2.07,1237 1.86,1238 1.848,1239 1.945,1240 1.951,1241 1.051,1242 1.947,1243 1.751,1244 1.722,1245 1.86,1246 1.892,1247 0.945,1248 1.886,1249 1.652,1250 1.608,1251 1.792,1252 1.809,1253 0.885,1254 1.808,1255 1.368,1256 1.327,1257 1.556,1258 1.57,1259 0.614,1260 1.56,1261 1.067,1262 1.034,1263 1.234,1264 1.246,1265 0.296,1266 1.246,1267 0.886,1268 0.842,1269 1.181,1270 1.107,1271 0.218,1272 1.107,1273 0.873,1274 0.821,1275 1.085,1276 1.062,1277 0.164,1278 1.074,1279 4.174,1281 5.533,1282 3.045,1283 7.094,1284 5.533,1285 8.747,1286 7.727,1287 10.449,1289 1.921,1294 10.012,1297 5.73,1305 30.875,1306 65.418,1307 153.911,1308 194.931,1309 219.46,1310 227.46,1311 227.46,1312 44.26,1313 8.186,1314 68.26,1315 68.26,1316 28,1317 12.912,1318 4.644,1319 3.807,1320 37.457,1321 97,1322 94,1323 0.188,1324 184.876,1325 317.75,1326 442.857,1327 42816,1329 19.25,1330 0.688,1331 0.539,1332 19.25,1333 15.086,1334 13.631,1335 0.426,1336 0.278,1337 8.785,1338 13.214,1339 8.576,1340 7.096,1341 13.631,1342 8.89,1343 12.543,1344 0.267,1345 0.143,1346 12.543,1347 6.709,1348 11.266,1349 0.166,1350 0.073,1351 11.266,1352 4.933,1353 10.221,1354 0.105,1355 0.038,1356 10.221,1357 3.662,1358 8.255,1359 0.068,1360 0.02,1361 8.255,1362 2.469,1363 0.287,1364 84.871,1365 0.214,1366 26.123,1367 0.543,1368 158,1369 454.911,1370 170.273,1371 443.893,1372 620.75,1373 416,1374 194,1375 473.221,1376 207.91,1377 480.968,1378 713.82,1379 454,1380 7.051}
{0 CHEMBL1090115,1 1.488,2 9.6,3 4.964,4 24.642,5 112.267,6 8.498,7 0.647,8 3.999,9 4.066,10 3.668,11 3.591,12 5.266,13 3.605,14 4.449,15 4.539,16 4.062,17 3.978,18 5.691,19 3.988,20 4.664,21 4.779,22 4.14,23 4.073,24 5.931,25 4.072,26 4.737,27 4.878,28 4.125,29 4.066,30 6.097,31 4.046,32 4.704,33 4.854,34 4.035,35 4.031,36 5.899,37 4.007,38 4.678,39 4.828,40 4.067,41 4.062,42 5.917,43 4.031,44 4.719,45 4.866,46 4.045,47 4.051,48 5.918,49 4.023,50 4.714,51 4.868,52 4.021,53 3.986,54 5.968,55 3.965,56 0.138,57 0.567,58 7.405,59 4.26,60 17.66,61 4.21,62 0.203,63 0.909,64 12.528,65 6.812,66 18.183,67 7.102,68 0.436,69 1.132,70 17.594,71 8.429,72 43.953,73 8.779,74 0.691,75 1.245,76 20.426,77 9.077,78 79.653,79 10.228,80 0.526,81 1.187,82 20.807,83 9.043,84 57.786,85 9.847,86 0.417,87 1.166,88 19.236,89 9.069,90 51.582,91 10.593,92 0.49,93 1.208,94 20.442,95 9.193,96 46.316,97 10.073,98 0.551,99 1.181,100 21.473,101 9.291,102 55.283,103 10.268,104 18,105 50,106 0.248,107 0.587,108 0.733,109 0.854,110 0.881,111 0.881,112 3.442,113 0.818,114 -3.48,115 -3.45,116 -3.3,119 51.1,124 1,135 1,136 1,142 10,143 3,144 5,152 2,157 1,172 10,175 9,180 5,183 14,187 8,190 1,192 1,195 12,199 5,202 2,203 2,204 5,207 12,211 2,212 4,217 2,220 14,224 5,227 1,228 1,229 4,232 12,236 1,237 6,242 5,245 10,250 5,253 2,255 6,258 9,263 2,266 1,268 6,271 7,275 1518,276 20.472,277 20.472,278 20.472,279 20.472,280 20.472,281 17.491,282 18.689,283 11.801,284 20.799,285 16.743,286 16.743,287 16.743,288 16.743,289 16.743,290 12.139,291 22.41,292 5.565,293 17.225,294 4.067,295 2.033,296 1.154,297 0.431,298 0.271,299 0.271,300 4.15,304 1,305 1,306 637,307 2.828,310 112.961,311 227.507,314 220.53,318 1.293,319 36.825,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65.5,331 288,332 4.722,333 3.433,334 6.907,335 4.29,336 3.306,337 4.685,338 0.86,339 11.601,340 3.253,341 4.606,342 3.339,343 6.836,344 4.193,345 3.211,346 4.267,347 0.6,348 11.313,349 3.151,350 4.039,351 2.843,352 6.014,353 3.629,354 2.646,355 3.616,357 8.543,358 2.604,359 3.878,360 2.683,361 5.735,362 3.457,363 2.487,364 3.377,366 7.667,367 2.408,368 3.647,369 2.493,370 5.271,371 3.221,372 2.269,373 3.06,375 6.589,376 2.153,377 3.458,378 2.307,379 5.168,380 3.025,381 2.066,382 2.824,384 6.148,385 1.971,386 3.353,387 2.043,388 5.112,389 2.904,390 1.93,391 2.651,393 5.87,394 1.871,395 3.183,396 1.915,397 4.946,398 2.747,399 1.77,400 2.428,402 5.401,403 1.724,404 3.087,405 1.829,406 4.505,407 2.608,408 1.628,409 2.27,411 4.287,412 1.594,413 2.671,414 1.483,415 4.25,416 2.209,417 1.256,418 1.709,420 3.433,421 1.19,422 2.547,423 1.244,424 3.709,425 2.073,426 1.096,427 1.53,428 2.767,429 1.065,430 2.5,431 1.069,432 3.441,433 2,434 1,435 1.5,436 2.136,437 1,438 2.345,439 1,440 3.247,441 1.754,442 0.796,443 1.162,445 2.018,446 0.759,447 1.695,448 0.843,449 3.056,450 1.357,451 0.469,452 0.555,454 0.811,455 0.412,456 1.257,457 0.294,458 2.825,459 0.937,460 -0.017,461 -0.021,463 -0.042,464 -0.016,465 14.067,466 0.469,467 0.798,468 0.027,469 44.75,470 1.492,471 25.5,472 0.85,473 19.25,474 0.642,475 21.125,476 0.704,477 30.333,478 0.645,479 35.99,480 1.2,481 9.064,482 0.302,483 5.482,484 0.183,485 0.107,487 0.427,493 0.965,494 0.914,495 0.719,496 0.833,497 1.028,498 0.742,499 0.9,500 1.035,501 0.711,502 0.93,503 0.651,504 0.808,505 1.037,506 1.083,507 0.914,508 0.992,509 0.982,510 0.937,511 0.742,512 1.066,513 0.927,514 1.028,515 0.673,516 1.015,517 1.082,518 0.917,519 1.001,520 0.919,521 1.092,522 0.935,523 0.699,524 1.027,525 0.832,526 1.009,527 0.587,528 0.967,529 1,530 1.023,531 1.022,532 1.032,533 0.925,534 1.027,535 1.058,536 1.027,537 0.979,538 1.03,539 0.943,540 0.997,541 6,542 0.167,543 3.333,544 3.181,545 1.899,546 1.175,547 0.737,548 0.61,549 0.488,550 0.308,551 11042,552 32634,553 2.145,554 36.2,556 14,559 3,564 1.736,565 2,566 3.239,567 0.834,573 69.93,574 1.488,575 3.522,576 4.401,577 5.123,578 5.283,579 5.283,580 2.588,581 4.548,582 4.879,583 3.392,584 1475.62,585 8.556,586 19841.4,588 1,591 261.066,592 1.429,593 4.837,594 0.176,595 0.008,596 0.067,597 0.061,598 0.039,599 0.026,600 0.015,601 0.013,602 0.011,603 0.009,604 0.426,605 0.5,606 0.88,607 0.715,608 150.645,609 -0.132,610 0.06,611 -0.003,612 0.099,613 -0.212,614 0.084,615 -0.081,616 -0.053,617 0.058,618 0.009,619 -0.013,620 0.053,621 -0.059,622 -0.089,623 -0.052,624 -0.048,625 -0.074,626 -0.049,627 0.221,628 -0.046,629 -0.003,630 -0.08,631 0.263,632 -0.089,633 -0.083,634 0.078,635 -0.052,636 0.047,637 -0.136,638 0.012,639 0.092,640 -0.045,641 0.073,642 -0.038,643 0.15,645 -0.052,646 -0.031,647 -0.091,648 -0.069,649 -0.08,650 -0.081,651 -0.003,652 -0.054,653 0.003,654 -0.055,655 0.027,656 -0.033,657 1.929,658 4.683,659 0.8,660 25.293,661 1.017,662 1.104,663 2.246,664 5.043,665 0.71,666 3.555,667 3.932,668 4.277,669 4.625,670 4.883,671 5.056,672 5.242,673 5.447,674 5.561,675 5.656,676 6.009,677 0.698,678 399.42,679 3.555,680 5.13,681 6.019,682 6.934,683 7.843,684 8.767,685 9.684,686 10.612,687 11.534,688 12.464,689 2.1,698 1,703 2,704 10,707 1,709 8,711 22,714 1,728 3,729 1,731 47,733 24,734 3,735 34,737 51,738 24,739 20,740 8,741 10,742 3,746 5,747 7,761 23,762 1,766 2,773 1,774 1,775 2,780 1,781 17,782 6,783 3,784 6,790 1,794 0.6,795 5,811 2,812 3,815 2,831 1,832 1,840 3,844 1,848 30,853 3,856 1,870 10.6,872 3,875 2,877 15,878 8.8,879 6.472,880 2.597,881 5.212,882 1.633,883 0.981,884 4.441,885 13.447,886 3.871,887 4.567,888 5.259,889 5.936,890 6.528,891 6.961,892 7.473,893 8.007,894 8.432,895 8.876,896 1,897 52,898 11.089,900 4.95,901 7.9,902 20.652,904 17.336,905 2.4,906 72,909 1,910 164.795,911 148.293,912 16.786,914 148.557,917 148.293,918 313.353,919 16.786,920 10.883,922 104.239,923 130.807,924 57.423,925 10.285,926 164.795,928 164.795,929 165.079,930 148.557,933 164.795,934 148.557,937 16.786,938 138.817,939 9.476,941 164.795,942 165.343,943 148.293,946 164.795,947 33.172,948 115.122,950 165.343,951 164.795,952 165.343,953 148.293,955 0.59,956 0.358,957 0.205,958 0.114,959 27,960 12,961 0.059,962 3,963 2,964 1.167,965 4.016,966 293.001,967 0.167,968 24,969 140.452,974 18.639,975 7.147,976 3.132,977 0.32,978 165.343,979 17.791,982 5.746,984 2.725,986 128.05,987 478.432,988 47,995 1.683,996 4.77,997 1.471,999 47.807,1000 51.867,1001 0.268,1002 0.634,1003 0.792,1004 0.922,1005 0.951,1006 0.951,1007 5.127,1008 1.77,1009 6.028,1010 5.87,1011 4.615,1012 5.255,1013 1.163,1014 6.907,1015 4.563,1016 6.381,1017 1.628,1018 7.626,1019 5.401,1020 4.29,1021 5.156,1023 7.908,1024 4.205,1025 7.722,1026 1.256,1027 9.323,1028 4.287,1029 6.271,1030 7.567,1031 0.856,1032 11.068,1033 6.184,1034 9.102,1035 1.096,1036 11.078,1037 3.433,1038 6.77,1039 8.302,1041 12.917,1042 6.652,1043 10.514,1044 1,1045 12.871,1046 2.767,1047 8.237,1048 10.183,1049 0.643,1050 15.601,1051 8.119,1052 11.951,1053 0.796,1054 14.691,1055 2.136,1056 9.115,1057 11.324,1059 17.804,1060 8.971,1061 13.408,1062 0.469,1063 16.531,1064 2.018,1065 10.391,1066 12.988,1067 0.49,1068 20.327,1069 10.242,1070 3.306,1071 -0.017,1072 18.388,1073 0.811,1074 11.44,1075 14.33,1077 22.673,1078 11.27,1079 3.211,1080 11.601,1081 20.257,1082 -0.042,1083 12.648,1084 15.904,1085 0.375,1086 25.141,1087 12.468,1088 2.646,1089 11.313,1090 22.137,1091 4.685,1092 13.772,1093 17.343,1095 27.544,1096 13.573,1097 2.487,1098 8.543,1099 24.025,1100 4.267,1101 14.958,1102 18.884,1103 0.286,1104 29.993,1105 14.746,1106 2.269,1107 7.667,1108 25.92,1109 3.616,1110 16.114,1111 20.369,1113 32.417,1114 15.884,1115 2.066,1116 6.589,1117 27.821,1118 3.377,1119 17.294,1120 21.899,1121 0.218,1122 34.86,1123 17.05,1124 1.93,1125 6.148,1126 29.726,1127 3.06,1128 18.465,1129 23.407,1131 37.295,1132 18.203,1133 10341,1134 17932,1135 22.887,1136 33.369,1137 52.751,1138 52.694,1139 54.041,1140 51.921,1141 51.858,1142 71.269,1143 2.92,1144 157.168,1145 50.311,1146 5.55,1147 5.433,1148 6.709,1149 5.313,1150 5.306,1151 7.685,1152 1.72,1153 18.949,1154 5.253,1155 14.244,1156 1.552,1157 1.55,1158 1.589,1159 1.527,1160 1.525,1161 2.096,1162 0.086,1163 4.623,1164 1.48,1165 4.138,1166 4.14,1167 4.118,1168 4.048,1169 6.505,1170 4.062,1171 4.01,1172 4.022,1173 3.982,1174 3.932,1175 6.463,1176 3.942,1177 3.836,1178 3.862,1179 3.769,1180 3.779,1181 6.44,1182 3.773,1183 3.523,1184 3.539,1185 3.466,1186 3.411,1187 5.035,1188 3.419,1189 3.347,1190 3.371,1191 3.283,1192 3.163,1193 4.928,1194 3.188,1195 3.148,1196 3.212,1197 2.978,1198 2.923,1199 4.751,1200 2.924,1201 3.021,1202 3.028,1203 2.941,1204 2.808,1205 4.553,1206 2.827,1207 2.912,1208 2.964,1209 2.808,1210 2.779,1211 4.117,1212 2.784,1213 0.139,1214 0.101,1215 0.203,1216 0.126,1217 0.097,1218 4.722,1219 0.138,1220 3.433,1221 0.025,1222 6.907,1223 0.341,1224 4.29,1225 0.096,1226 3.306,1227 4.685,1228 0.86,1229 11.601,1230 3.253,1231 1.916,1232 1.897,1233 2.023,1234 1.994,1235 1.132,1236 2,1237 1.893,1238 1.885,1239 1.96,1240 1.986,1241 1.087,1242 1.977,1243 1.873,1244 1.855,1245 1.947,1246 1.961,1247 1.07,1248 1.96,1249 1.572,1250 1.561,1251 1.66,1252 1.721,1253 0.752,1254 1.696,1255 1.222,1256 1.198,1257 1.561,1258 1.508,1259 0.571,1260 1.524,1261 1.182,1262 1.124,1263 1.294,1264 1.389,1265 0.367,1266 1.359,1267 0.946,1268 0.934,1269 1.181,1270 1.209,1271 0.218,1272 1.156,1273 0.898,1274 0.858,1275 1.112,1276 1.122,1277 0.195,1278 1.107,1279 4.234,1281 5.595,1282 3.045,1283 7.151,1284 5.533,1285 8.797,1286 7.735,1287 10.492,1289 1.597,1294 30.529,1297 5.368,1305 32.81,1306 69.93,1307 165.528,1308 206.827,1309 240.801,1310 248.311,1311 248.311,1312 54.731,1313 8.235,1314 95.95,1315 95.95,1316 28,1317 12.967,1318 4.644,1319 3.807,1320 41.233,1321 104,1322 108,1323 0.188,1324 195.666,1325 341.63,1326 469.186,1327 43376,1329 20.828,1330 0.694,1331 0.532,1332 20.828,1333 15.956,1334 14.546,1335 0.428,1336 0.273,1337 9.139,1338 14.01,1339 8.942,1340 7.382,1341 14.546,1342 9.269,1343 13.455,1344 0.269,1345 0.138,1346 13.455,1347 6.92,1348 11.876,1349 0.167,1350 0.071,1351 11.876,1352 5.06,1353 10.648,1354 0.105,1355 0.036,1356 10.648,1357 3.65,1358 8.548,1359 0.065,1360 0.019,1361 8.548,1362 2.491,1363 0.286,1364 91.348,1365 0.209,1366 27.606,1367 0.548,1368 168,1369 515.565,1370 183.451,1371 496.414,1372 687.12,1373 464,1374 205,1375 518.726,1376 220.897,1377 525.301,1378 776.78,1379 495,1380 8.699}
{0 CHEMBL1090130,1 1.447,2 9.483,3 4.911,4 24.117,5 111.431,6 8.335,7 0.667,8 3.965,9 4.042,10 3.628,11 3.589,12 5.196,13 3.588,14 4.435,15 4.54,16 4.034,17 3.991,18 5.641,19 3.986,20 4.678,21 4.805,22 4.13,23 4.109,24 5.912,25 4.091,26 4.758,27 4.907,28 4.132,29 4.123,30 6.102,31 4.086,32 4.751,33 4.905,34 4.012,35 4.114,36 5.906,37 4.059,38 4.789,39 4.978,40 4.034,41 4.116,42 5.968,43 4.051,44 4.745,45 4.922,46 3.964,47 4.047,48 5.914,49 3.995,50 4.65,51 4.824,52 3.841,53 3.926,54 5.871,55 3.871,56 0.078,57 0.553,58 7.328,59 4.075,60 13.004,61 4.349,62 0.107,63 0.919,64 12.64,65 6.581,66 13.043,67 7.381,68 0.328,69 1.153,70 18.485,71 8.717,72 41.822,73 9.719,74 0.594,75 1.281,76 21.189,77 9.456,78 78.059,79 11.2,80 0.378,81 1.256,82 21.367,83 9.648,84 47.732,85 10.867,86 0.379,87 1.317,88 24.155,89 10.719,90 56.284,91 13.506,92 0.374,93 1.226,94 23.486,95 10.093,96 49.056,97 11.687,98 0.401,99 1.127,100 21.17,101 8.938,102 58.697,103 10.172,104 17,105 49,106 0.242,107 0.563,108 0.697,109 0.828,110 0.878,111 0.878,112 3.409,113 0.834,114 -4.76,115 -4.67,116 -4.39,119 52.2,124 1,135 1,138 1,142 11,143 4,144 3,152 2,157 1,172 12,175 8,180 4,183 16,186 1,187 7,195 13,199 8,202 3,203 1,204 2,207 13,211 1,212 4,217 1,220 15,223 1,224 7,227 1,229 2,232 14,237 8,242 2,245 13,250 5,253 1,255 3,258 11,263 1,266 1,268 6,271 8,275 1308,276 19.706,277 19.706,278 19.706,279 19.706,280 19.706,281 16.723,282 14.067,283 11.393,284 19.955,285 16.295,286 16.295,287 16.295,288 16.295,289 16.295,290 11.764,291 17.072,292 5.412,293 16.731,294 4.077,295 2.16,296 1.357,297 0.573,298 0.277,299 0.277,300 4.117,304 1,305 1,306 612,307 2.646,310 106.093,311 214.007,314 208.871,318 1.225,319 32.091,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.5,331 275,332 4.798,333 3.761,334 7.12,335 4.359,336 3.386,337 4.756,338 0.86,339 12.371,340 3.298,341 4.588,342 3.388,343 6.871,344 4.219,345 3.242,346 4.248,348 11.39,349 3.166,350 3.994,351 2.921,352 6.073,353 3.571,354 2.576,355 3.597,357 8.616,358 2.563,359 3.911,360 2.583,361 5.788,362 3.463,363 2.495,364 3.349,366 7.792,367 2.409,368 3.516,369 2.574,370 5.529,371 3.092,372 2.126,373 2.877,375 6.719,376 2.053,377 3.393,378 2.298,379 5.141,380 2.931,381 1.996,382 2.793,384 6.029,385 1.876,386 3.333,387 2.175,388 4.973,389 2.9,390 1.923,391 2.608,393 5.53,394 1.851,395 3.192,396 1.968,397 4.91,398 2.747,399 1.779,400 2.419,402 5.183,403 1.707,404 2.914,405 1.798,406 4.257,407 2.442,408 1.445,409 2.104,411 3.437,412 1.439,413 2.746,414 1.444,415 3.752,416 2.243,417 1.256,418 1.735,420 3.078,421 1.225,422 2.586,423 1.156,424 3.67,425 2.095,426 1.115,427 1.584,428 2.688,429 1.087,430 2.5,431 1,432 3.549,433 2,434 1,435 1.5,436 2.306,437 1,438 2.302,439 0.977,440 3.247,441 1.878,442 0.904,443 1.217,445 2.136,446 0.876,447 1.482,448 0.72,449 3.162,450 1.1,451 0.135,452 0.168,454 0.381,455 0.129,456 1.224,457 0.229,458 2.774,459 0.815,460 -0.173,461 -0.228,463 -0.441,464 -0.165,465 13.733,466 0.474,467 0.802,468 0.028,469 43,470 1.483,471 24.5,472 0.845,473 18.5,474 0.638,475 20.42,476 0.704,477 28.867,478 0.628,479 34.589,480 1.193,481 8.698,482 0.3,483 5.344,484 0.184,485 0.109,487 0.43,493 0.853,494 0.967,495 0.705,496 0.836,497 0.816,498 0.76,499 0.77,500 1.023,501 0.707,502 0.921,503 0.577,504 0.817,505 0.96,506 1.069,507 0.884,508 0.986,509 0.899,510 0.932,511 0.638,512 1.06,513 0.908,514 1.031,515 0.588,516 1.017,517 1.065,518 1.026,519 1.135,520 1.052,521 1.036,522 1.095,523 0.619,524 0.976,525 0.83,526 0.997,527 0.556,528 0.967,529 1.132,530 0.933,531 0.988,532 0.941,533 0.949,534 0.94,535 1.193,536 0.984,537 1.098,538 0.995,539 1.405,540 1.024,541 5,542 0.102,543 3.333,544 3.965,545 1.833,546 1.178,547 0.64,548 0.598,549 0.429,550 0.267,551 10007,552 28061,553 2.15,554 37,556 15,559 2,564 1.727,565 2,566 3.2,567 0.16,573 66.558,574 1.447,575 3.364,576 4.167,577 4.95,578 5.246,579 5.246,580 2.554,581 4.487,582 4.833,583 3.341,584 1356.51,585 8.457,586 17548.4,588 1,591 254.084,592 1.44,593 4.786,594 0.152,595 0.006,596 0.068,597 0.076,598 0.037,599 0.026,600 0.014,601 0.014,602 0.012,603 0.01,604 0.414,605 0.33,606 0.88,607 0.562,608 143.424,609 -0.093,610 0.01,611 0.015,612 0.071,613 -0.145,614 0.065,615 -0.038,616 -0.014,617 0.066,618 -0.009,619 0.008,620 0.042,621 0.001,622 -0.084,623 -0.007,624 -0.045,625 -0.029,626 -0.032,627 0.305,628 -0.047,629 0.014,630 -0.085,631 0.309,632 -0.088,633 -0.114,634 -0.041,635 -0.208,636 -0.093,637 -0.152,638 -0.154,639 0.152,640 -0.009,641 0.152,642 -0.001,643 0.165,644 0.059,645 -0.113,646 0.02,647 0.016,648 0.054,649 -0.038,650 0.059,651 -0.108,652 -0.008,653 -0.093,654 -0.013,655 -0.136,656 -0.045,657 2.079,658 5.882,659 0.828,660 22.576,661 1.01,662 1.101,663 3.529,664 12.451,665 0.716,666 3.526,667 3.912,668 4.277,669 4.644,670 4.883,671 5.03,672 5.209,673 5.389,674 5.493,675 5.576,676 5.764,677 0.698,678 383.42,679 3.526,680 5.106,681 6.004,682 6.929,683 7.845,684 8.778,685 9.702,686 10.639,687 11.567,688 12.505,689 2.2,697 1,703 2,704 11,709 7,710 1,711 22,716 1,728 2,729 1,731 46,733 24,734 3,735 33,737 50,738 24,739 20,740 7,741 11,742 3,746 5,747 7,761 23,762 1,766 2,771 1,773 1,775 2,781 17,782 4,783 2,784 5,790 1,794 0.6,795 4,807 1,811 2,812 3,815 2,831 2,840 3,844 1,848 29,853 2,856 1,870 8.7,872 2,873 1,875 1,877 14.5,878 8.683,879 6.194,880 2.636,881 4.966,882 1.609,883 1.01,884 4.051,885 13.122,886 3.85,887 4.546,888 5.238,889 5.922,890 6.508,891 6.924,892 7.412,893 7.909,894 8.29,895 8.71,896 1,897 52,898 10.749,900 4.831,901 7.874,902 20.149,904 17.126,905 2.374,906 68.833,909 1,910 176.567,911 154.762,912 1.899,914 121.512,917 154.762,918 298.078,919 1.899,920 8.396,922 113.715,923 120.889,924 30.272,925 4.901,926 176.567,928 176.567,929 156.661,930 121.512,933 176.567,934 121.512,937 1.899,938 140.043,939 14.72,941 176.567,942 123.411,943 154.762,946 176.567,947 32.651,948 124.01,950 121.512,951 176.567,952 123.411,953 154.762,955 0.593,956 0.364,957 0.217,958 0.118,959 27,960 12,961 0.04,962 2,963 2,964 1.167,965 3.91,966 283.34,967 0.167,968 24,969 136.881,974 17.74,975 6.623,976 2.767,977 2.016,978 121.512,979 20.361,984 2.588,985 2.09,986 85.367,987 454.739,988 46,993 12.882,995 1.712,997 -0.307,999 46.48,1000 50.658,1001 0.262,1002 0.609,1003 0.754,1004 0.896,1005 0.95,1006 0.95,1007 5.109,1008 1.779,1009 6.019,1010 5.53,1011 4.595,1012 5.234,1013 0.908,1014 6.921,1015 4.543,1016 6.363,1017 1.445,1018 7.631,1019 5.183,1020 4.29,1021 5.156,1023 7.978,1024 4.198,1025 7.708,1026 1.256,1027 9.347,1028 3.437,1029 6.267,1030 7.55,1031 0.739,1032 11.168,1033 6.168,1034 9.093,1035 1.115,1036 11.123,1037 3.078,1038 6.804,1039 8.317,1041 13.088,1042 6.668,1043 10.512,1044 1,1045 12.939,1046 2.688,1047 8.274,1048 10.189,1049 0.593,1050 15.805,1051 8.128,1052 11.958,1053 0.904,1054 14.783,1055 2.306,1056 9.193,1057 11.364,1059 18.074,1060 9.013,1061 13.425,1062 0.135,1063 16.648,1064 2.136,1065 10.481,1066 13.028,1067 0.469,1068 20.637,1069 10.285,1070 3.386,1071 -0.173,1072 18.529,1073 0.381,1074 11.566,1075 14.4,1077 23.044,1078 11.339,1079 3.242,1080 12.371,1081 20.423,1082 -0.441,1083 12.791,1084 15.981,1085 0.366,1086 25.558,1087 12.544,1088 2.576,1089 11.39,1090 22.326,1091 4.756,1092 13.945,1093 17.445,1095 28.018,1096 13.669,1097 2.495,1098 8.616,1099 24.238,1100 4.248,1101 15.151,1102 18.997,1103 0.283,1104 30.518,1105 14.852,1106 2.126,1107 7.792,1108 26.157,1109 3.597,1110 16.334,1111 20.504,1113 32.999,1114 16.007,1115 1.996,1116 6.719,1117 28.081,1118 3.349,1119 17.536,1120 22.048,1121 0.217,1122 35.496,1123 17.184,1124 1.923,1125 6.029,1126 30.01,1127 2.877,1128 18.731,1129 23.575,1131 37.988,1132 18.352,1133 9328,1134 15792,1135 22.194,1136 32.915,1137 51.477,1138 52.311,1139 52.932,1140 50.845,1141 50.756,1142 69.913,1143 1.72,1144 155.315,1145 49.357,1146 5.619,1147 5.761,1148 6.922,1149 5.426,1150 5.386,1151 7.756,1152 1.72,1153 19.888,1154 5.298,1155 13.596,1156 1.56,1157 1.585,1158 1.604,1159 1.541,1160 1.538,1161 2.119,1162 0.052,1163 4.707,1164 1.496,1165 4.18,1166 4.206,1167 4.152,1168 4.104,1169 7.428,1170 4.112,1171 3.976,1172 3.975,1173 3.953,1174 3.879,1175 6.492,1176 3.895,1177 3.839,1178 3.869,1179 3.766,1180 3.787,1181 6.445,1182 3.778,1183 3.514,1184 3.536,1185 3.458,1186 3.415,1187 4.962,1188 3.419,1189 3.402,1190 3.456,1191 3.304,1192 3.23,1193 4.742,1194 3.244,1195 3.1,1196 3.141,1197 2.996,1198 2.94,1199 4.705,1200 2.943,1201 2.981,1202 2.995,1203 2.888,1204 2.763,1205 4.266,1206 2.787,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 4.104,1212 2.715,1213 0.145,1214 0.114,1215 0.216,1216 0.132,1217 0.103,1218 4.798,1219 0.144,1220 3.761,1221 0.026,1222 7.12,1223 0.375,1224 4.359,1225 0.1,1226 3.386,1227 4.756,1228 0.86,1229 12.371,1230 3.298,1231 1.946,1232 1.927,1233 2.036,1234 2.034,1235 1.175,1236 2.035,1237 1.924,1238 1.894,1239 2.033,1240 1.998,1241 1.137,1242 2.011,1243 1.849,1244 1.844,1245 1.911,1246 1.952,1247 1.036,1248 1.936,1249 1.603,1250 1.577,1251 1.736,1252 1.751,1253 0.844,1254 1.748,1255 1.367,1256 1.322,1257 1.572,1258 1.579,1259 0.635,1260 1.572,1261 1.082,1262 1.051,1263 1.242,1264 1.262,1265 0.336,1266 1.251,1267 0.886,1268 0.856,1269 1.181,1270 1.117,1271 0.218,1272 1.107,1273 0.872,1274 0.821,1275 1.1,1276 1.107,1277 0.187,1278 1.092,1279 4.205,1281 5.572,1282 3.045,1283 7.14,1284 5.587,1285 8.8,1286 7.825,1287 10.509,1289 1.989,1294 19.786,1297 5.716,1305 32.095,1306 66.558,1307 154.746,1308 191.666,1309 227.719,1310 241.329,1311 241.329,1312 52.233,1313 8.155,1314 75.6,1315 75.6,1316 28,1317 13.004,1318 4.644,1319 3.807,1320 39.284,1321 98,1322 101,1323 0.194,1324 191.67,1325 332.84,1326 459.435,1327 39704,1329 20.121,1330 0.694,1331 0.537,1332 20.121,1333 15.586,1334 14.042,1335 0.426,1336 0.278,1337 9.072,1338 13.624,1339 8.858,1340 7.318,1341 14.042,1342 9.174,1343 13.092,1344 0.267,1345 0.142,1346 13.092,1347 6.982,1348 11.608,1349 0.163,1350 0.073,1351 11.608,1352 5.206,1353 10.769,1354 0.105,1355 0.038,1356 10.769,1357 3.923,1358 8.497,1359 0.065,1360 0.02,1361 8.497,1362 2.659,1363 0.293,1364 87.421,1365 0.212,1366 26.732,1367 0.568,1368 164,1369 475.416,1370 176.933,1371 462.764,1372 643.04,1373 432,1374 202,1375 488.139,1376 216.072,1377 495.29,1378 735.87,1379 468,1380 5.574}
{0 CHEMBL1090131,1 1.555,2 14.528,3 2.704,4 7.31,5 138.108,6 7.367,7 0.4,8 4.32,9 4.425,10 3.868,11 3.794,12 5.43,13 3.795,14 4.876,15 5.045,16 4.236,17 4.205,18 5.923,19 4.192,20 5.132,21 5.328,22 4.309,23 4.374,24 6.176,25 4.321,26 5.235,27 5.454,28 4.277,29 4.405,30 6.334,31 4.308,32 5.24,33 5.497,34 4.162,35 4.321,36 6.155,37 4.221,38 5.122,39 5.353,40 4.18,41 4.278,42 6.154,43 4.202,44 5.092,45 5.302,46 4.176,47 4.291,48 6.097,49 4.218,50 5.096,51 5.304,52 4.18,53 4.286,54 6.128,55 4.207,56 0.122,57 0.952,58 14.455,59 6.259,60 17.547,61 7.904,62 0.396,63 1.57,64 27.853,65 9.775,66 32.326,67 13.123,68 0.688,69 1.901,70 37.68,71 13.391,72 59.125,73 18.001,74 0.866,75 2.011,76 42.74,77 15.633,78 108.458,79 21.911,80 0.761,81 1.953,82 45.189,83 14.739,84 74.867,85 21.282,86 0.723,87 1.798,88 38.982,89 13.21,90 84.271,91 18.54,92 0.703,93 1.761,94 37.077,95 13.036,96 64.618,97 17.807,98 0.705,99 1.766,100 36.966,101 13.275,102 64.932,103 18.252,104 32,105 57,106 0.245,107 0.576,108 0.737,109 0.82,110 0.856,111 0.875,112 3.616,113 0.914,114 -2.18,115 -2.22,116 -2.2,119 40.3,121 1,124 1,125 8,135 1,138 1,142 5,143 3,144 4,151 1,152 1,157 1,172 4,175 10,180 5,183 7,186 3,187 7,195 5,199 6,202 4,203 1,204 2,207 4,211 2,212 7,217 1,220 4,223 2,224 6,227 1,229 2,232 3,236 1,237 3,240 1,242 2,245 3,249 3,250 7,253 1,255 2,258 3,262 1,263 5,266 1,268 2,271 2,275 2696,276 24.566,277 24.566,278 24.566,279 24.566,280 24.566,281 22.378,282 31.102,283 14.396,284 25.273,285 19.664,286 19.664,287 19.664,288 19.664,289 19.664,290 16.087,291 38.946,292 6.759,293 20.735,294 4.511,295 2.417,296 1.392,297 0.865,298 0.638,299 0.519,300 4.321,305 1,306 1140,307 3.674,310 154.855,311 314.821,314 296.41,318 2.194,319 44.112,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 79.5,331 523,332 4.681,333 3.76,334 6.88,335 4.258,336 3.281,337 4.637,338 0.86,339 11.436,340 3.206,341 4.578,342 3.253,343 6.759,344 4.16,345 3.188,346 4.248,347 0.86,348 11.108,349 3.102,350 3.92,351 2.981,352 5.778,353 3.583,354 2.66,355 3.366,356 0.8,357 7.818,358 2.452,359 3.759,360 2.922,361 5.551,362 3.472,363 2.504,364 3.189,365 0.8,366 7.415,367 2.417,368 3.654,369 2.748,370 5.474,371 3.336,372 2.405,373 2.889,375 7.107,376 2.236,377 3.53,378 2.598,379 5.289,380 3.175,381 2.237,382 2.659,384 6.594,385 2.109,386 3.346,387 2.559,388 5.14,389 3.07,390 2.124,391 2.608,393 6.35,394 1.99,395 3.229,396 2.299,397 5.126,398 2.933,399 2,400 2.429,402 6.02,403 1.855,404 3.182,405 2.215,406 4.962,407 2.759,408 1.799,409 2.246,411 5.519,412 1.713,413 2.978,414 1.906,415 4.773,416 2.574,417 1.614,418 2.115,420 4.901,421 1.539,422 2.717,423 1.737,424 4.238,425 2.373,426 1.424,427 1.669,428 3.4,429 1.344,430 2.436,431 1.682,432 3.787,433 2.213,434 1.234,435 1.432,436 2.736,437 1.191,438 2.375,439 1.146,440 3.459,441 1.977,442 1.004,443 1.315,445 2.601,446 0.97,447 2,448 1.082,449 3.414,450 1.967,451 1,452 1,454 2.275,455 0.965,456 1.796,457 1.058,458 3.186,459 1.628,460 0.686,461 0.744,463 1.527,464 0.642,465 16.7,466 0.464,467 0.883,468 0.025,469 43.25,470 1.201,471 19,472 0.528,473 24.25,474 0.674,475 34.074,476 0.947,477 40.3,478 0.601,479 37.293,480 1.036,481 8.723,482 0.242,483 8.738,484 0.243,485 0.11,487 0.371,493 0.925,494 1.421,495 0.813,496 1.157,497 0.834,498 0.993,499 1.041,500 1.069,501 0.903,502 0.913,503 0.644,504 0.859,505 0.947,506 0.944,507 0.985,508 0.971,509 0.788,510 0.97,511 0.549,512 1.138,513 0.899,514 1.145,515 0.528,516 1.105,517 0.798,518 0.926,519 0.857,520 0.897,521 0.733,522 0.886,523 0.816,524 0.938,525 0.872,526 0.911,527 0.737,528 0.899,529 0.924,530 0.995,531 0.978,532 0.974,533 0.859,534 0.982,535 0.791,536 1.093,537 0.965,538 1.086,539 0.773,540 1.068,541 7.5,542 0.265,543 3.778,544 3.243,545 1.97,546 1.348,547 0.848,548 0.625,549 0.515,550 0.426,551 20310,552 54589,553 2.103,554 46.3,556 25,557 1,559 3,562 2,564 1.776,565 1.964,566 3.756,567 0.801,573 104.201,574 1.555,575 3.65,576 4.674,577 5.201,578 5.428,579 5.547,580 3.261,581 4.871,582 5.133,583 3.943,584 2484.32,585 9.039,586 40006.1,591 406.428,592 1.426,593 5.099,594 0.188,595 0.006,596 0.066,597 0.055,598 0.036,599 0.028,600 0.017,601 0.012,602 0.01,603 0.009,604 0.428,605 0.33,606 0.75,607 1.058,608 197.281,609 -0.094,610 -0.2,611 0.04,612 -0.04,613 -0.089,614 0.014,615 -0.153,616 0.105,617 0.017,618 0.099,619 0.001,620 0.106,621 -0.051,622 0.14,623 -0.041,624 0.036,625 0.004,626 0.011,627 0.221,628 -0.136,629 0.043,630 -0.124,631 0.245,632 -0.085,633 0.013,634 0.04,635 0.127,636 0.069,637 0.014,638 0.115,639 0.032,640 0.072,641 0.096,642 0.075,643 0.08,644 0.096,645 -0.03,646 0.032,647 -0.022,648 0.034,649 -0.048,650 0.013,651 0.069,652 -0.067,653 -0.016,654 -0.072,655 0.019,656 -0.067,657 2.092,658 5.933,659 0.667,660 45.154,661 1.01,662 1.128,663 0.949,664 0.901,665 0.648,666 3.714,667 4.06,668 4.369,669 4.682,670 4.92,671 5.069,672 5.231,673 5.412,674 5.537,675 5.69,676 8.155,677 0.623,678 493.61,679 3.714,680 5.273,681 6.142,682 7.04,683 7.929,684 8.836,685 9.735,686 10.647,687 11.553,688 12.468,689 4.5,692 2,697 1,703 2,704 6,709 6,710 1,711 16,716 1,728 2,729 2,731 67,733 18,734 2,735 40,737 71,738 27,739 14,740 7,741 5,742 3,746 5,747 7,752 1,758 1,761 17,762 10,766 2,771 1,773 1,775 2,781 31,782 8,783 3,784 9,790 3,794 0.6,795 6,796 1,807 1,811 2,812 3,815 2,831 2,836 2,838 1,840 3,844 1,848 36,853 3,854 9,856 2,859 2,870 9,871 1,872 2,873 1,875 2,877 18.333,878 12.033,879 7.944,880 4.003,881 3.841,882 1.446,883 0.945,884 7.434,885 12.448,886 3.932,887 4.541,888 5.163,889 5.79,890 6.336,891 6.759,892 7.186,893 7.643,894 7.973,895 8.403,896 0.9,897 59,898 13.403,900 5.851,901 7.838,902 25.544,904 21.426,905 2.338,906 84.167,910 329.591,911 126.014,912 8.148,914 175.195,917 126.014,918 504.786,919 8.148,920 10.883,921 17.274,922 108.588,923 120.889,924 49.578,925 13.915,926 317.82,928 329.591,929 134.162,930 175.195,933 306.049,934 156.054,935 42.683,937 25.422,938 94.02,939 14.72,941 329.591,942 183.342,943 126.014,946 329.591,947 49.226,948 84.936,950 175.195,951 329.591,952 183.342,953 126.014,955 0.581,956 0.345,957 0.191,958 0.107,959 28,960 13,961 0.113,962 8,963 2,964 1.167,965 4.643,966 352.318,967 0.167,968 24,969 182.117,974 24.957,975 10.723,976 5.23,977 1.947,978 181.443,979 10.331,984 1.234,985 2.176,986 128.05,987 638.948,988 50,993 12.933,995 1.678,997 -0.336,999 67.64,1000 75.564,1001 0.256,1002 0.602,1003 0.77,1004 0.857,1005 0.895,1006 0.914,1007 5.198,1008 2,1009 6.138,1010 6.35,1011 4.745,1012 5.228,1013 1.771,1014 6.98,1015 4.65,1016 6.407,1017 1.799,1018 7.714,1019 6.02,1020 4.369,1021 5.147,1022 0.57,1023 7.921,1024 4.23,1025 7.729,1026 1.614,1027 9.388,1028 5.519,1029 6.368,1030 7.461,1031 1.413,1032 11.053,1033 6.199,1034 9.088,1035 1.424,1036 11.119,1037 4.901,1038 6.815,1039 8.234,1040 0.479,1041 12.852,1042 6.618,1043 10.483,1044 1.234,1045 12.889,1046 3.4,1047 8.287,1048 10.053,1049 1.15,1050 15.514,1051 8.066,1052 11.903,1053 1.004,1054 14.687,1055 2.736,1056 9.122,1057 11.227,1058 0.346,1059 17.687,1060 8.884,1061 13.345,1062 1,1063 16.507,1064 2.601,1065 10.395,1066 12.856,1067 0.93,1068 20.193,1069 10.135,1070 3.281,1071 0.686,1072 18.345,1073 2.275,1074 11.414,1075 14.218,1076 0.237,1077 22.52,1078 11.139,1079 3.188,1080 11.436,1081 20.197,1082 1.527,1083 12.614,1084 15.774,1085 0.742,1086 24.973,1087 12.318,1088 2.66,1089 11.108,1090 22.062,1091 4.637,1092 13.717,1093 17.22,1094 0.158,1095 27.36,1096 13.405,1097 2.504,1098 7.818,1099 23.937,1100 4.248,1101 14.893,1102 18.749,1103 0.583,1104 29.794,1105 14.562,1106 2.405,1107 7.415,1108 25.82,1109 3.366,1110 16.035,1111 20.234,1112 0.104,1113 32.205,1114 15.684,1115 2.237,1116 7.107,1117 27.711,1118 3.189,1119 17.205,1120 21.754,1121 0.452,1122 34.633,1123 16.835,1124 2.124,1125 6.594,1126 29.607,1127 2.889,1128 18.364,1129 23.257,1130 0.068,1131 37.053,1132 17.974,1133 19224,1134 31803,1135 26.759,1136 43.404,1137 60.051,1138 62.021,1139 62.52,1140 59.811,1141 59.795,1142 74.687,1143 6.64,1144 176.068,1145 56.767,1146 5.681,1147 5.76,1148 6.744,1149 5.325,1150 5.281,1151 7.637,1152 1.72,1153 18.676,1154 5.206,1155 18.732,1156 1.501,1157 1.551,1158 1.563,1159 1.495,1160 1.495,1161 1.867,1162 0.166,1163 4.402,1164 1.419,1165 4.164,1166 4.192,1167 4.131,1168 4.074,1169 7.428,1170 4.084,1171 3.975,1172 3.974,1173 3.951,1174 3.877,1175 6.492,1176 3.893,1177 3.862,1178 3.936,1179 3.743,1180 3.665,1181 6.456,1182 3.674,1183 3.599,1184 3.662,1185 3.497,1186 3.439,1187 6.445,1188 3.447,1189 3.541,1190 3.571,1191 3.44,1192 3.395,1193 4.977,1194 3.394,1195 3.452,1196 3.489,1197 3.348,1198 3.265,1199 4.755,1200 3.277,1201 3.267,1202 3.327,1203 3.117,1204 3.064,1205 4.583,1206 3.068,1207 3.129,1208 3.206,1209 2.975,1210 2.941,1211 4.376,1212 2.917,1213 0.117,1214 0.094,1215 0.172,1216 0.106,1217 0.082,1218 4.681,1219 0.116,1220 3.76,1221 0.022,1222 6.88,1223 0.286,1224 4.258,1225 0.08,1226 3.281,1227 4.637,1228 0.86,1229 11.436,1230 3.206,1231 1.942,1232 1.924,1233 2.038,1234 2.064,1235 1.357,1236 2.06,1237 1.851,1238 1.845,1239 2.001,1240 2.008,1241 1.203,1242 2.008,1243 1.814,1244 1.745,1245 1.911,1246 1.952,1247 1.133,1248 1.937,1249 1.678,1250 1.636,1251 1.856,1252 1.856,1253 1.041,1254 1.856,1255 1.547,1256 1.49,1257 1.768,1258 1.755,1259 1.015,1260 1.763,1261 1.412,1262 1.365,1263 1.623,1264 1.631,1265 0.825,1266 1.622,1267 1.19,1268 1.141,1269 1.55,1270 1.488,1271 0.762,1272 1.508,1273 1.153,1274 1.097,1275 1.513,1276 1.386,1277 0.578,1278 1.429,1279 4.394,1281 5.733,1282 3.045,1283 7.262,1284 5.533,1285 8.881,1286 7.727,1287 10.552,1289 1.617,1294 28.946,1295 7.658,1297 11.148,1300 4.834,1305 41.728,1306 104.201,1307 244.522,1308 313.151,1309 348.454,1310 363.673,1311 371.673,1312 76.782,1313 8.606,1314 111.54,1315 111.54,1316 28,1317 12.982,1318 4.248,1319 3.459,1320 54.44,1321 171,1322 236,1323 0.151,1324 250.81,1325 443.14,1326 603.738,1327 73220,1329 25.233,1330 0.701,1331 0.564,1332 25.233,1333 20.313,1334 17.461,1335 0.437,1336 0.305,1337 11.967,1338 16.588,1339 11.744,1340 9.621,1341 17.461,1342 12.192,1343 15.759,1344 0.276,1345 0.161,1346 15.759,1347 9.199,1348 13.578,1349 0.174,1350 0.088,1351 13.578,1352 6.897,1353 11.756,1354 0.11,1355 0.046,1356 11.756,1357 4.93,1358 9.4,1359 0.069,1360 0.026,1361 9.4,1362 3.478,1363 0.239,1364 110.937,1365 0.193,1366 33.1,1367 0.408,1368 194,1369 588.591,1370 215.414,1371 552.696,1372 749.85,1373 518,1374 232,1375 544.425,1376 254.639,1377 546.739,1378 807.6,1379 514,1380 7.444}
{0 CHEMBL1090143,1 1.789,2 13.206,3 5.306,4 28.149,5 124.841,6 9.725,7 0.737,8 4.032,9 4.119,10 3.851,11 3.696,12 5.306,13 3.688,14 4.528,15 4.636,16 4.311,17 4.081,18 6.215,19 4.064,20 4.698,21 4.84,22 4.292,23 4.181,24 6.007,25 4.137,26 4.784,27 4.953,28 4.273,29 4.146,30 6.124,31 4.105,32 4.714,33 4.874,34 4.23,35 4.091,36 6.063,37 4.061,38 4.711,39 4.884,40 4.18,41 4.038,42 6.3,43 4.001,44 4.59,45 4.768,46 4.014,47 3.976,48 5.843,49 3.923,50 4.547,51 4.723,52 3.958,53 3.913,54 5.857,55 3.864,56 0.158,57 0.908,58 4.852,59 4.084,60 25.424,61 3.884,62 0.835,63 1.868,64 10.769,65 6.925,66 135.289,67 6.311,68 0.422,69 1.669,70 15.668,71 9.128,72 46.78,73 9.258,74 0.737,75 1.881,76 24.365,77 10.621,78 104.633,79 9.822,80 0.612,81 1.709,82 20.164,83 9.545,84 88.342,85 9.287,86 1.06,87 1.692,88 20.93,89 8.944,90 163.216,91 8.76,92 0.551,93 1.455,94 16.849,95 7.966,96 71.968,97 8.313,98 0.404,99 1.398,100 16.735,101 8.241,102 43.048,103 9.045,104 18,105 55,106 0.294,107 0.562,108 0.745,109 0.866,110 0.88,111 0.88,112 3.561,113 0.864,114 -5.45,115 -5.33,116 -4.98,119 51,132 1,142 11,143 5,144 1,145 2,146 1,148 1,152 1,158 1,161 1,172 13,174 1,175 7,178 1,180 3,183 16,187 7,192 4,195 13,199 8,204 3,207 8,212 11,215 1,217 2,220 11,224 5,229 1,232 15,236 2,237 3,240 1,242 1,245 15,249 1,250 4,255 1,258 10,262 1,263 6,268 2,271 8,275 2090,276 22.85,277 22.85,278 22.85,279 22.85,280 22.85,281 19.595,282 11.975,283 13.367,284 23.501,285 18.816,286 18.816,287 18.816,288 18.816,289 18.816,290 13.875,291 14.846,292 6.382,293 19.953,294 3.826,295 2.196,296 1.078,297 0.342,298 0.26,299 0.26,300 4.266,304 1,305 1,306 985,307 3.808,310 72.371,311 419.287,314 137.684,318 2.112,319 49.28,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 75.5,331 449,332 4.636,333 4.461,334 7.118,335 4.191,336 3.324,337 4.581,338 3.825,339 11.699,340 3.066,341 4.47,342 3.571,343 6.736,344 4.155,345 3.201,346 3.934,347 1.058,348 11.033,349 2.964,350 4.195,351 3.2,352 6.156,353 3.817,354 2.848,355 3.795,357 9.123,358 2.722,359 4.073,360 2.815,361 6.052,362 3.728,363 2.752,364 3.56,366 8.708,367 2.645,368 3.921,369 2.563,370 5.739,371 3.474,372 2.5,373 3.326,375 7.776,376 2.425,377 3.56,378 2.322,379 5.28,380 3.123,381 2.179,382 2.956,384 6.641,385 2.046,386 3.238,387 2.204,388 4.68,389 2.746,390 1.794,391 2.56,393 4.94,394 1.675,395 3.185,396 1.754,397 4.563,398 2.672,399 1.737,400 2.398,402 4.406,403 1.609,404 2.96,405 1.607,406 4.399,407 2.435,408 1.494,409 2.166,411 4.324,412 1.39,413 2.896,414 1.526,415 4.025,416 2.35,417 1.422,418 2.076,420 3.338,421 1.317,422 2.642,423 1.427,424 3.915,425 2.144,426 1.176,427 1.702,428 3.039,429 1.124,430 2.595,431 1.153,432 3.494,433 2.111,434 1.131,435 1.619,436 2.573,437 1.094,438 2.526,439 1.149,440 3.479,441 2.014,442 1,443 1.5,445 2.501,446 1.009,447 2.5,448 1,449 3.461,450 1.984,451 1,452 1.5,454 2.402,455 0.983,456 2.5,457 1,458 3.253,459 1.924,460 1,461 1.477,463 2.136,464 0.913,465 16.124,466 0.474,467 0.963,468 0.028,469 50,470 1.471,471 28,472 0.824,473 22,474 0.647,475 25.008,476 0.736,477 34.276,478 0.7,479 41.269,480 1.214,481 9.979,482 0.293,483 6.402,484 0.188,485 0.074,486 0.031,487 0.31,490 3,493 0.561,494 0.855,495 0.606,496 0.804,497 0.572,498 0.752,499 0.426,500 0.697,501 0.733,502 0.847,503 0.402,504 0.865,505 0.649,506 0.908,507 0.904,508 1.048,509 0.579,510 1.052,511 1.105,512 0.965,513 1.229,514 1.056,515 1.073,516 1.002,517 0.947,518 0.956,519 1.039,520 1.06,521 0.966,522 1.025,523 0.681,524 0.698,525 1.028,526 0.868,527 0.665,528 0.977,529 0.707,530 0.753,531 0.985,532 0.934,533 0.686,534 1.062,535 0.65,536 0.921,537 0.938,538 1.124,539 0.604,540 1.143,541 7.5,542 0.226,543 4,544 2.319,545 1.752,546 1.379,547 0.571,548 0.496,549 0.319,550 0.266,551 17789,552 64133,553 2.12,554 30.6,556 11,558 3,559 1,564 1.759,565 1.99,566 3.689,567 -0.334,573 87.666,574 1.789,575 3.418,576 4.537,577 5.273,578 5.354,579 5.354,580 3.136,581 4.712,582 5.06,583 3.873,584 2172.77,585 8.867,586 33383.4,591 275.121,592 1.501,593 5.017,594 0.197,595 0.007,596 0.073,597 0.042,598 0.034,599 0.027,600 0.012,601 0.012,602 0.008,603 0.007,604 0.419,605 0.17,606 0.63,607 0.662,608 182.959,609 -0.036,610 -0.038,611 0.029,612 0.033,613 -0.091,614 0.033,615 0.394,616 0.289,617 0.059,618 0.065,619 0.387,620 -0.051,621 -0.03,622 -0.134,623 -0.011,624 -0.101,625 0.022,626 -0.099,627 -0.173,628 -0.03,629 -0.131,630 -0.003,631 -0.131,632 0.001,633 -0.1,634 -0.102,635 -0.057,636 -0.076,637 -0.096,638 -0.044,639 0.22,640 0.177,641 -0.066,642 0.077,643 0.235,644 -0.011,645 -0.029,646 0.037,647 -0.095,648 -0.023,649 -0.053,650 -0.072,651 0.019,652 -0.153,653 -0.015,654 -0.181,655 0.052,656 -0.102,657 5.774,658 5.606,659 0.794,660 37.142,661 1.031,662 1.123,663 4.218,664 17.789,665 0.74,666 3.664,667 4.025,668 4.29,669 4.564,670 4.82,671 4.913,672 5.081,673 5.209,674 5.303,675 5.429,676 7.813,677 0.731,678 476.51,679 3.664,680 5.231,681 6.089,682 6.984,683 7.861,684 8.758,685 9.642,686 10.541,687 11.43,688 12.329,689 8.2,696 1,699 3,703 2,704 14,705 3,708 1,709 7,711 28,718 1,731 49,733 29,734 2,735 38,737 53,738 25,739 23,740 4,741 8,742 1,746 5,747 6,752 1,757 1,761 24,762 1,766 1,771 1,775 1,779 3,781 15,782 8,783 1,784 9,785 1,790 4,794 0.8,795 1,805 1,806 1,811 1,812 4,815 1,840 4,842 1,846 3,848 34,855 1,860 1,865 1,869 3,870 2,873 1,877 17.083,878 9.029,879 7.222,880 2.765,881 5.349,882 1.63,883 1.049,884 5.749,885 13.841,886 3.989,887 4.642,888 5.272,889 5.908,890 6.497,891 6.843,892 7.351,893 7.809,894 8.195,895 8.631,896 0.889,897 55,898 13.035,900 6.173,901 8.154,902 23.082,904 19.158,905 2.654,906 90.25,910 164.795,911 197.198,912 68.367,914 25.145,915 44.88,916 31.278,917 165.92,918 189.94,919 113.248,921 18.011,922 104.239,923 115.836,924 92.423,925 1.358,926 160.76,927 7.76,928 164.795,929 234.288,930 70.025,931 31.278,933 164.795,934 70.025,937 55.557,938 128.374,939 50.357,940 31.278,941 209.676,942 93.512,943 197.198,946 172.555,947 58.486,948 130.952,949 18.011,950 120.382,951 164.795,952 138.393,953 197.198,955 0.592,956 0.339,957 0.181,958 0.102,959 28,960 12,961 0.075,962 4,963 1,964 1.074,965 4.47,966 327.379,967 0.074,968 27,969 164.219,970 1,974 22.035,975 8.87,976 4.658,977 1.677,978 138.393,979 22.106,980 12.877,983 1.534,984 2.963,986 18.011,987 500.386,988 53,993 12.606,997 -0.633,999 50.534,1000 55.048,1001 0.319,1002 0.609,1003 0.808,1004 0.939,1005 0.954,1006 0.954,1007 5.231,1008 1.737,1009 6.107,1010 4.94,1011 4.71,1012 5.33,1013 3.139,1014 6.959,1015 4.602,1016 6.472,1017 1.494,1018 7.696,1019 4.406,1020 4.443,1021 5.147,1022 3.903,1023 8.072,1024 4.207,1025 7.798,1026 1.422,1027 9.394,1028 4.324,1029 6.382,1030 7.584,1031 5.431,1032 11.117,1033 6.159,1034 9.163,1035 1.176,1036 11.16,1037 3.338,1038 6.929,1039 8.22,1040 6.69,1041 13.038,1042 6.569,1043 10.558,1044 1.131,1045 12.968,1046 3.039,1047 8.376,1048 10.13,1049 8.059,1050 15.649,1051 8.011,1052 11.977,1053 1,1054 14.805,1055 2.573,1056 9.272,1057 11.174,1058 9.388,1059 17.874,1060 8.782,1061 13.413,1062 1,1063 16.663,1064 2.501,1065 10.537,1066 12.85,1067 10.734,1068 20.355,1069 10.013,1070 3.324,1071 1,1072 18.537,1073 2.402,1074 11.587,1075 14.11,1076 12.074,1077 22.702,1078 10.951,1079 3.201,1080 11.699,1081 20.423,1082 2.136,1083 12.786,1084 15.679,1085 13.416,1086 25.145,1087 12.095,1088 2.848,1089 11.033,1090 22.318,1091 4.581,1092 13.904,1093 17.056,1094 14.758,1095 27.543,1096 13.113,1097 2.752,1098 9.123,1099 24.221,1100 3.934,1101 15.081,1102 18.58,1103 16.1,1104 29.978,1105 14.222,1106 2.5,1107 8.708,1108 26.131,1109 3.795,1110 16.23,1111 20.019,1112 17.441,1113 32.398,1114 15.277,1115 2.179,1116 7.776,1117 28.046,1118 3.56,1119 17.404,1120 21.528,1121 18.783,1122 34.834,1123 16.375,1124 1.794,1125 6.641,1126 29.966,1127 3.326,1128 18.569,1129 23,1130 20.124,1131 37.265,1132 17.45,1133 16611,1134 31759,1135 25.542,1136 36.267,1137 59.075,1138 58.984,1139 58.56,1140 58.227,1141 58.054,1142 79.695,1143 9.767,1144 171.865,1145 54.788,1146 5.471,1147 6.461,1148 6.92,1149 5.319,1150 5.324,1151 7.581,1152 5.335,1153 18.933,1154 5.066,1155 15.905,1156 1.555,1157 1.552,1158 1.541,1159 1.532,1160 1.528,1161 2.097,1162 0.257,1163 4.523,1164 1.442,1165 4.11,1166 4.127,1167 4.339,1168 4.098,1169 8.513,1170 4.061,1171 3.96,1172 3.982,1173 3.94,1174 3.887,1175 7.999,1176 3.887,1177 3.869,1178 3.9,1179 3.838,1180 3.811,1181 7.999,1182 3.803,1183 3.755,1184 3.796,1185 3.729,1186 3.657,1187 7.429,1188 3.656,1189 3.414,1190 3.443,1191 3.441,1192 3.172,1193 5.072,1194 3.211,1195 3.238,1196 3.287,1197 3.341,1198 3.088,1199 4.886,1200 3.086,1201 3.193,1202 3.246,1203 3.147,1204 2.939,1205 4.716,1206 2.974,1207 2.911,1208 2.959,1209 2.904,1210 2.803,1211 4.649,1212 2.797,1213 0.122,1214 0.117,1215 0.187,1216 0.11,1217 0.087,1218 4.636,1219 0.121,1220 4.461,1221 0.101,1222 7.118,1223 0.308,1224 4.191,1225 0.081,1226 3.324,1227 4.581,1228 3.825,1229 11.699,1230 3.066,1231 1.968,1232 1.945,1233 2.046,1234 2.063,1235 1.161,1236 2.058,1237 1.908,1238 1.888,1239 1.996,1240 2,1241 1.105,1242 1.996,1243 1.85,1244 1.824,1245 1.94,1246 1.951,1247 1.025,1248 1.956,1249 1.692,1250 1.663,1251 1.747,1252 1.823,1253 0.852,1254 1.813,1255 1.283,1256 1.27,1257 1.345,1258 1.522,1259 0.472,1260 1.453,1261 1.237,1262 1.212,1263 1.315,1264 1.365,1265 0.354,1266 1.394,1267 1.051,1268 1.006,1269 1.204,1270 1.352,1271 0.258,1272 1.297,1273 0.886,1274 0.828,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.344,1281 5.694,1282 2.398,1283 7.233,1284 4.727,1285 8.854,1286 6.862,1287 10.516,1291 38.972,1296 2.672,1301 -4.524,1305 35.825,1306 87.666,1307 167.499,1308 222.312,1309 258.366,1310 262.366,1311 262.366,1312 67.87,1313 8.492,1314 67.77,1315 96.01,1316 29,1317 12.854,1318 4.907,1319 4,1320 50.099,1321 160,1322 152,1323 0.151,1324 218.527,1325 377.31,1326 524.967,1327 68467,1328 6.1,1329 23.709,1330 0.697,1331 0.535,1332 21.562,1333 18.191,1334 16.381,1335 0.431,1336 0.288,1337 10.039,1338 15.301,1339 9.818,1340 8.076,1341 15.578,1342 10.94,1343 15.644,1344 0.284,1345 0.153,1346 14.328,1347 8.432,1348 12.643,1349 0.176,1350 0.087,1351 12.487,1352 6.232,1353 10.649,1354 0.112,1355 0.048,1356 11.022,1357 4.533,1358 8.873,1359 0.072,1360 0.025,1361 9.184,1362 3.089,1363 0.24,1364 107.013,1365 0.198,1366 31.548,1367 0.406,1368 186,1369 734.197,1370 238.349,1371 658.623,1372 875.97,1373 612,1374 220,1375 609.675,1376 263.014,1377 619.455,1378 927.44,1379 582,1380 5}
{0 CHEMBL1090153,1 1.541,2 12.088,3 3.326,4 11.064,5 131.791,6 7.358,7 0.421,8 4.258,9 4.364,10 3.814,11 3.748,12 5.36,13 3.745,14 4.814,15 4.991,16 4.205,17 4.159,18 5.848,19 4.149,20 5.042,21 5.219,22 4.295,23 4.347,24 6.113,25 4.302,26 5.197,27 5.41,28 4.253,29 4.401,30 6.297,31 4.3,32 5.206,33 5.462,34 4.15,35 4.305,36 6.122,37 4.207,38 5.073,39 5.294,40 4.2,41 4.281,42 6.108,43 4.213,44 5.078,45 5.263,46 4.205,47 4.335,48 6.097,49 4.265,50 5.15,51 5.356,52 4.208,53 4.356,54 6.179,55 4.263,56 0.079,57 0.901,58 13.47,59 5.871,60 12.42,61 7.461,62 0.326,63 1.493,64 26.25,65 9.145,66 24.054,67 12.345,68 0.567,69 1.8,70 33.431,71 12.345,72 43.196,73 16.215,74 0.695,75 1.974,76 40.433,77 15.601,78 95.176,79 21.598,80 0.668,81 1.919,82 43.487,83 14.541,84 65.318,85 20.793,86 0.603,87 1.765,88 36.365,89 12.847,90 65.09,91 17.767,92 0.59,93 1.777,94 35.474,95 13.292,96 55.086,97 17.481,98 0.633,99 1.889,100 38.563,101 14.477,102 59.83,103 19.758,104 38,105 56,106 0.246,107 0.572,108 0.735,109 0.808,110 0.857,111 0.857,112 3.561,113 0.903,114 -2.72,115 -2.73,116 -2.65,119 41.3,120 1,124 2,125 6,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 10,180 4,183 8,186 3,187 7,195 7,199 6,202 3,203 1,204 2,207 6,211 2,212 8,217 1,220 5,223 2,224 8,227 1,229 2,232 4,236 1,237 3,242 2,245 4,249 3,250 7,253 1,255 3,258 4,262 1,263 5,266 1,268 3,271 2,275 2216,276 22.834,277 22.834,278 22.834,279 22.834,280 22.834,281 20.565,282 29.036,283 12.991,284 23.51,285 18.655,286 18.655,287 18.655,288 18.655,289 18.655,290 14.992,291 35.662,292 6.105,293 19.659,294 4.436,295 2.395,296 1.373,297 0.912,298 0.607,299 0.607,300 4.264,305 1,306 900,307 3.317,310 138.835,311 285.034,314 267.441,318 1.917,319 38.945,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 74.5,331 411,332 4.772,333 3.761,334 7.021,335 4.323,336 3.352,337 4.739,338 0.86,339 11.994,340 3.259,341 4.587,342 3.401,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.945,352 5.826,353 3.545,354 2.622,355 3.395,356 0.8,357 7.916,358 2.427,359 3.832,360 2.921,361 5.697,362 3.479,363 2.512,364 3.281,365 0.8,366 7.53,367 2.414,368 3.624,369 2.798,370 5.57,371 3.405,372 2.459,373 2.901,375 7.138,376 2.321,377 3.528,378 2.585,379 5.404,380 3.145,381 2.187,382 2.631,384 6.903,385 2.091,386 3.346,387 2.487,388 5.165,389 2.997,390 2.077,391 2.604,393 6.032,394 1.904,395 3.27,396 2.299,397 5.14,398 2.93,399 1.997,400 2.523,402 6.005,403 1.853,404 3.196,405 2.216,406 4.957,407 2.842,408 1.892,409 2.42,411 5.672,412 1.786,413 3.081,414 2.126,415 4.886,416 2.753,417 1.79,418 2.091,420 5.498,421 1.71,422 2.732,423 1.848,424 4.26,425 2.223,426 1.243,427 1.676,428 3.436,429 1.2,430 2.431,431 1.252,432 3.86,433 2.077,434 1.103,435 1.394,436 2.805,437 1.069,438 2,439 1.146,440 3.522,441 1.967,442 1,443 1,445 2.275,446 0.965,447 1.854,448 1.053,449 3.414,450 1.69,451 0.729,452 0.804,454 1.834,455 0.697,456 1.674,457 0.878,458 3.107,459 1.403,460 0.521,461 0.579,463 0.942,464 0.454,465 15.867,466 0.467,467 0.993,468 0.029,469 42,470 1.235,471 19,472 0.559,473 23,474 0.676,475 32.511,476 0.956,477 37.533,478 0.596,479 35.974,480 1.058,481 8.508,482 0.25,483 7.843,484 0.231,485 0.158,487 0.422,493 0.895,494 1.43,495 0.799,496 1.158,497 0.793,498 0.991,499 1.039,500 0.991,501 0.816,502 0.815,503 0.568,504 0.752,505 1.015,506 0.94,507 1.026,508 0.987,509 0.832,510 0.99,511 0.517,512 1.196,513 0.918,514 1.217,515 0.507,516 1.16,517 0.82,518 0.901,519 0.839,520 0.872,521 0.801,522 0.857,523 0.811,524 0.916,525 0.852,526 0.904,527 0.588,528 0.882,529 1.077,530 1.066,531 1.085,532 1.063,533 1.037,534 1.075,535 0.77,536 1.154,537 1.017,538 1.178,539 0.804,540 1.156,541 7.5,542 0.245,543 4.222,544 3.84,545 2.09,546 1.56,547 1.006,548 0.666,549 0.616,550 0.426,551 16238,552 41411,553 2.091,554 46,556 24,559 2,560 3,564 1.765,565 1.925,566 3.524,567 0.177,573 97.111,574 1.541,575 3.583,576 4.604,577 5.065,578 5.37,579 5.37,580 3.055,581 4.852,582 5.055,583 3.707,584 2079.38,585 8.897,586 31033.2,591 376.569,592 1.496,593 5.004,594 0.197,595 0.007,596 0.075,597 0.065,598 0.039,599 0.032,600 0.019,601 0.013,602 0.012,603 0.01,604 0.47,605 0.33,606 0.75,607 0.741,608 180.238,609 -0.071,610 -0.228,611 0.054,612 -0.065,613 -0.082,614 0.001,615 -0.129,616 0.17,617 0.114,618 0.176,619 0.045,620 0.202,621 -0.064,622 0.171,623 -0.092,624 0.022,625 0.007,626 -0.023,627 0.241,628 -0.203,629 0.016,630 -0.186,631 0.289,632 -0.137,633 0.024,634 0.058,635 0.152,636 0.096,637 0.002,638 0.142,639 0.053,640 0.108,641 0.11,642 0.087,643 0.149,644 0.109,645 -0.098,646 -0.034,647 -0.138,648 -0.038,649 -0.102,650 -0.087,651 0.085,652 -0.142,653 -0.072,654 -0.16,655 0.023,656 -0.153,657 2.076,658 5.992,659 0.706,660 37.138,661 1.007,662 1.126,663 1.487,664 2.211,665 0.654,666 3.664,667 4.043,668 4.369,669 4.691,670 4.942,671 5.094,672 5.257,673 5.451,674 5.572,675 5.704,676 7.114,677 0.627,678 463.58,679 3.664,680 5.242,681 6.125,682 7.036,683 7.938,684 8.858,685 9.769,686 10.693,687 11.61,688 12.537,689 4.8,692 2,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 63,733 18,734 2,735 38,737 67,738 26,739 14,740 7,741 5,742 3,746 5,747 7,752 1,761 17,762 9,766 2,771 1,773 1,775 2,781 29,782 7,783 2,784 8,790 3,794 0.6,795 5,807 1,811 2,812 3,815 2,831 2,836 2,840 3,844 3,848 34,853 2,854 6,856 2,859 2,870 7.9,872 2,873 1,875 2,877 17.667,878 12.25,879 7.333,880 3.715,881 3.862,882 1.457,883 0.966,884 6.227,885 12.308,886 3.892,887 4.541,888 5.182,889 5.829,890 6.391,891 6.818,892 7.253,893 7.714,894 8.03,895 8.444,896 1,897 59,898 12.657,900 5.547,901 7.775,902 24.168,904 20.33,905 2.275,906 77.333,910 317.82,911 132.305,912 8.148,914 132.511,917 132.305,918 450.331,919 8.148,920 28.105,921 12.634,922 56.857,923 120.889,924 49.578,925 4.901,926 317.82,928 317.82,929 140.453,930 132.511,933 317.82,934 132.511,937 29.607,938 96.126,939 14.72,941 317.82,942 140.659,943 132.305,946 317.82,947 47.343,948 93.11,950 132.511,951 317.82,952 140.659,953 132.305,955 0.595,956 0.358,957 0.196,958 0.109,959 29,960 14,961 0.075,962 5,963 2,964 1.167,965 4.352,966 338.262,967 0.167,968 24,969 168.974,974 23.085,975 9.171,976 4.293,977 2.018,978 138.76,979 8.436,984 2.383,985 2.273,986 85.367,987 590.784,988 48,993 12.992,995 1.724,997 -0.298,999 63.429,1000 70.94,1001 0.258,1002 0.599,1003 0.77,1004 0.847,1005 0.898,1006 0.898,1007 5.176,1008 1.997,1009 6.142,1010 6.032,1011 4.727,1012 5.228,1013 1.771,1014 7.015,1015 4.634,1016 6.409,1017 1.892,1018 7.742,1019 6.005,1020 4.443,1021 5.223,1022 0.57,1023 8.019,1024 4.306,1025 7.747,1026 1.79,1027 9.439,1028 5.672,1029 6.385,1030 7.5,1031 1.413,1032 11.165,1033 6.22,1034 9.122,1035 1.243,1036 11.192,1037 5.498,1038 6.899,1039 8.322,1040 0.479,1041 13.021,1042 6.705,1043 10.531,1044 1.103,1045 12.982,1046 3.436,1047 8.347,1048 10.127,1049 1.15,1050 15.713,1051 8.129,1052 11.965,1053 1,1054 14.8,1055 2.805,1056 9.232,1057 11.338,1058 0.346,1059 17.939,1060 8.994,1061 13.421,1062 0.729,1063 16.64,1064 2.275,1065 10.503,1066 12.969,1067 0.93,1068 20.481,1069 10.243,1070 3.352,1071 0.521,1072 18.498,1073 1.834,1074 11.56,1075 14.361,1076 0.237,1077 22.856,1078 11.28,1079 3.237,1080 11.994,1081 20.37,1082 0.942,1083 12.771,1084 15.928,1085 0.742,1086 25.348,1087 12.469,1088 2.622,1089 11.383,1090 22.254,1091 4.739,1092 13.904,1093 17.401,1094 0.158,1095 27.78,1096 13.582,1097 2.512,1098 7.916,1099 24.149,1100 4.248,1101 15.098,1102 18.946,1103 0.583,1104 30.255,1105 14.752,1106 2.459,1107 7.53,1108 26.052,1109 3.395,1110 16.265,1111 20.456,1112 0.104,1113 32.71,1114 15.896,1115 2.187,1116 7.138,1117 27.962,1118 3.281,1119 17.456,1120 21.996,1121 0.452,1122 35.18,1123 17.063,1124 2.077,1125 6.903,1126 29.878,1127 2.901,1128 18.638,1129 23.523,1130 0.068,1131 37.643,1132 18.221,1133 15299,1134 24733,1135 25.085,1136 41.188,1137 58.158,1138 59.836,1139 60.973,1140 57.842,1141 57.823,1142 72.992,1143 6.64,1144 175.552,1145 54.97,1146 5.772,1147 5.761,1148 6.567,1149 5.39,1150 5.352,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 19.149,1156 1.53,1157 1.575,1158 1.605,1159 1.522,1160 1.522,1161 1.921,1162 0.175,1163 4.62,1164 1.447,1165 4.174,1166 4.202,1167 4.144,1168 4.087,1169 7.428,1170 4.098,1171 3.975,1172 3.975,1173 3.952,1174 3.878,1175 6.492,1176 3.894,1177 3.841,1178 3.918,1179 3.72,1180 3.637,1181 6.445,1182 3.647,1183 3.585,1184 3.623,1185 3.51,1186 3.458,1187 4.97,1188 3.465,1189 3.485,1190 3.521,1191 3.411,1192 3.318,1193 4.755,1194 3.332,1195 3.337,1196 3.398,1197 3.194,1198 3.137,1199 4.58,1200 3.14,1201 3.192,1202 3.272,1203 2.997,1204 2.941,1205 4.397,1206 2.941,1207 3.111,1208 3.206,1209 2.937,1210 2.94,1211 4.139,1212 2.91,1213 0.126,1214 0.099,1215 0.185,1216 0.114,1217 0.088,1218 4.772,1219 0.125,1220 3.761,1221 0.023,1222 7.021,1223 0.316,1224 4.323,1225 0.086,1226 3.352,1227 4.739,1228 0.86,1229 11.994,1230 3.259,1231 1.942,1232 1.924,1233 2.033,1234 2.062,1235 1.332,1236 2.057,1237 1.851,1238 1.845,1239 1.993,1240 2,1241 1.185,1242 2.001,1243 1.806,1244 1.742,1245 1.912,1246 1.952,1247 1.098,1248 1.937,1249 1.706,1250 1.656,1251 1.864,1252 1.875,1253 1.033,1254 1.874,1255 1.447,1256 1.409,1257 1.668,1258 1.654,1259 0.848,1260 1.653,1261 1.296,1262 1.233,1263 1.575,1264 1.541,1265 0.825,1266 1.551,1267 1.199,1268 1.131,1269 1.515,1270 1.493,1271 0.628,1272 1.502,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.596,1278 1.429,1279 4.344,1281 5.707,1282 3.045,1283 7.259,1284 5.587,1285 8.899,1286 7.818,1287 10.588,1289 5.824,1294 19.931,1295 6.011,1297 11.218,1300 4.819,1305 39.487,1306 97.111,1307 225.701,1308 290.065,1309 319.085,1310 338.304,1311 338.304,1312 67.824,1313 8.446,1314 91.31,1315 91.31,1316 28,1317 13.043,1318 4.248,1319 3.459,1320 49.756,1321 140,1322 174,1323 0.169,1324 237.222,1325 417.05,1326 570.581,1327 57483,1329 23.982,1330 0.705,1331 0.578,1332 23.982,1333 19.668,1334 16.351,1335 0.43,1336 0.301,1337 11.227,1338 15.558,1339 10.895,1340 8.98,1341 16.351,1342 11.434,1343 15.287,1344 0.273,1345 0.16,1346 15.287,1347 8.957,1348 13.347,1349 0.171,1350 0.088,1351 13.347,1352 6.827,1353 11.53,1354 0.107,1355 0.045,1356 11.53,1357 4.807,1358 9.264,1359 0.067,1360 0.025,1361 9.264,1362 3.426,1363 0.261,1364 103.614,1365 0.2,1366 31.1,1367 0.474,1368 188,1369 552.441,1370 207.975,1371 522.942,1372 717.56,1373 490,1374 228,1375 532.91,1376 249.476,1377 537.496,1378 794.86,1379 504,1380 8.301}
{0 CHEMBL1090239,1 1.671,2 13.676,3 2.527,4 6.388,5 144.496,6 7.949,7 0.524,8 4.3,9 4.421,10 3.965,11 3.835,12 5.376,13 3.816,14 4.863,15 5.047,16 4.36,17 4.255,18 5.905,19 4.213,20 5.079,21 5.278,22 4.444,23 4.41,24 6.084,25 4.336,26 5.151,27 5.377,28 4.389,29 4.43,30 6.163,31 4.321,32 5.088,33 5.304,34 4.408,35 4.426,36 6.077,37 4.322,38 5.023,39 5.194,40 4.457,41 4.43,42 6.082,43 4.344,44 5.099,45 5.306,46 4.367,47 4.39,48 6.106,49 4.301,50 5.035,51 5.245,52 4.259,53 4.352,54 6.013,55 4.238,56 0.053,57 1.072,58 12.944,59 5.619,60 9.518,61 7.131,62 0.501,63 1.748,64 27.598,65 9.52,66 32.444,67 12.134,68 0.482,69 2.079,70 37.023,71 12.32,72 37.448,73 16.404,74 0.567,75 2.116,76 42.19,77 14.863,78 65.552,79 19.111,80 0.509,81 2.018,82 42.53,83 14.788,84 50.543,85 18.557,86 0.367,87 2.034,88 37.367,89 13.563,90 36.819,91 16.648,92 0.469,93 2.057,94 38.482,95 12.897,96 47.646,97 17.067,98 0.383,99 1.933,100 36.95,101 13.515,102 41.612,103 17.491,104 10,105 60,106 0.263,107 0.589,108 0.741,109 0.815,110 0.82,111 0.82,112 3.642,113 0.941,114 -3.84,115 -3.8,116 -3.61,119 40,124 1,125 8,142 5,143 3,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,172 6,174 4,175 7,177 2,178 2,183 9,186 2,187 7,195 7,198 5,199 8,204 1,207 5,209 1,211 2,212 7,220 3,223 2,224 15,226 2,227 2,232 1,236 1,237 11,245 2,249 2,250 6,252 1,253 1,255 1,258 2,260 1,262 6,263 8,268 1,271 1,273 1,275 2581,276 25.394,277 25.394,278 25.394,279 25.394,280 25.394,281 22.876,282 24.181,283 14.88,284 26.285,285 20.763,286 20.763,287 20.763,288 20.763,289 20.763,290 16.779,291 30.775,292 7.142,293 22.202,294 4.351,295 2.281,296 1.314,297 0.842,298 0.812,299 0.812,300 4.36,305 1,306 1128,307 3,310 79.25,311 563.789,314 149.076,318 1.972,319 33.326,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.67,328 1,329 0.71,330 80,331 506,332 4.657,333 3.696,334 6.767,335 4.171,336 3.242,337 4.597,338 1.2,339 11.166,340 3.019,341 4.315,342 3.329,343 6.42,344 3.988,345 3.008,346 3.911,347 0.86,348 9.821,349 2.936,350 4.155,351 2.91,352 6.153,353 3.759,354 2.807,355 3.75,356 0.8,357 9.093,358 2.672,359 3.98,360 2.827,361 6.091,362 3.665,363 2.72,364 3.361,365 0.8,366 8.86,367 2.572,368 3.692,369 2.765,370 5.703,371 3.402,372 2.465,373 3.053,374 0.293,375 7.608,376 2.3,377 3.646,378 2.55,379 5.284,380 3.271,381 2.339,382 2.982,384 6.553,385 2.181,386 3.45,387 2.345,388 5.045,389 3.161,390 2.241,391 2.577,393 6.09,394 2.05,395 3.168,396 2.24,397 4.925,398 2.873,399 1.937,400 2.295,402 5.627,403 1.805,404 3.013,405 2.143,406 4.697,407 2.683,408 1.768,409 2.127,411 4.835,412 1.611,413 2.92,414 1.904,415 4.423,416 2.413,417 1.487,418 2.061,420 4.281,421 1.367,422 2.746,423 1.55,424 4.247,425 2.302,426 1.336,427 1.827,428 3.614,429 1.282,430 2.517,431 1.477,432 3.755,433 2.098,434 1.235,435 1.525,436 2.943,437 1.056,438 2.5,439 1.256,440 3.64,441 1.974,442 1.017,443 1.5,445 2.536,446 0.965,447 2.384,448 1.249,449 3.439,450 1.967,451 1,452 1.37,454 2.275,455 0.959,456 2.285,457 1.146,458 3.414,459 1.952,460 1,461 1.07,463 2.275,464 0.946,465 17.7,466 0.478,467 0.883,468 0.024,469 48.75,470 1.318,471 22.5,472 0.608,473 26.25,474 0.709,475 34.384,476 0.929,477 39.3,478 0.605,479 39.536,480 1.069,481 9.413,482 0.254,483 8.634,484 0.233,485 0.07,487 0.35,493 0.863,494 1.469,495 0.724,496 1.053,497 0.7,498 0.941,499 1.137,500 0.849,501 0.853,502 0.72,503 0.627,504 0.755,505 1.023,506 1.116,507 0.973,508 1.027,509 0.805,510 0.983,511 0.978,512 0.888,513 1.002,514 0.958,515 1.431,516 0.95,517 0.899,518 0.936,519 1.085,520 0.998,521 1.178,522 0.853,523 0.767,524 1.218,525 1.231,526 1.401,527 0.792,528 1.176,529 1.069,530 1.146,531 1.06,532 1.105,533 1.17,534 1.068,535 0.758,536 1.111,537 1.14,538 1.212,539 0.649,540 1.141,541 7,542 0.268,543 4.444,544 2.132,545 1.987,546 1.556,547 0.99,548 0.562,549 0.413,550 0.391,551 21855,552 55944,553 2.18,554 43.1,556 24,558 2,559 2,564 1.785,565 2.075,566 3.712,567 0.216,573 108.637,574 1.671,575 3.742,576 4.709,577 5.18,578 5.211,579 5.211,580 3.18,581 4.831,582 5.177,583 3.855,584 2567.58,585 9.134,586 41019.3,591 391.454,592 1.288,593 5.156,594 0.167,595 0.007,596 0.074,597 0.034,598 0.034,599 0.026,600 0.016,601 0.01,602 0.008,603 0.008,604 0.384,605 0.33,606 0.63,607 0.435,608 202.38,609 -0.058,610 -0.284,611 0.078,612 -0.064,613 -0.045,614 -0.01,615 -0.042,616 0.276,617 0.078,618 0.238,619 0.077,620 0.16,621 -0.064,622 -0.057,623 0.013,624 -0.012,625 0.023,626 -0.016,627 -0.016,628 0.104,629 0.041,630 0.087,631 -0.082,632 0.053,633 0.01,634 0.072,635 0.085,636 0.156,637 -0.024,638 0.181,639 0.05,640 -0.111,641 -0.102,642 -0.233,643 0.03,644 -0.172,645 -0.097,646 -0.116,647 -0.067,648 -0.089,649 -0.129,650 -0.092,651 0.02,652 -0.086,653 -0.105,654 -0.136,655 0.016,656 -0.127,657 1.588,658 6.197,659 0.892,660 43.683,661 1.006,662 1.13,663 2.608,664 6.799,665 0.68,666 3.761,667 4.111,668 4.419,669 4.71,670 5.017,671 5.165,672 5.38,673 5.587,674 5.768,675 5.935,676 7.766,677 0.647,678 516.69,679 3.761,680 5.323,681 6.192,682 7.083,683 7.971,684 8.869,685 9.766,686 10.669,687 11.572,688 12.48,689 12.3,692 1,693 1,695 1,696 1,699 4,703 2,704 7,705 4,708 1,709 7,711 22,719 1,722 1,726 1,731 65,733 23,734 1,735 42,737 70,738 26,739 16,740 2,741 4,742 1,746 6,747 7,761 17,762 9,766 1,771 1,775 1,781 28,782 10,783 2,784 11,785 1,790 8,794 0.833,795 2,806 2,811 1,812 5,815 1,836 1,839 1,840 5,842 1,844 1,848 37,849 1,854 8,856 1,859 3,865 1,870 3.1,873 1,874 1,877 17.833,878 12.067,879 7.944,880 3.91,881 4.002,882 1.454,883 1.026,884 6.826,885 12.815,886 4.007,887 4.618,888 5.245,889 5.868,890 6.485,891 6.933,892 7.478,893 8.008,894 8.469,895 8.938,896 1,897 62,898 13.71,900 5.932,901 7.635,902 26.517,904 22.305,905 2.135,906 79,910 306.049,911 152.034,912 109.412,914 36.145,916 31.278,917 120.756,918 342.193,919 109.412,920 8.396,921 24.943,922 80.278,923 131.534,924 38.372,925 6.331,926 313.784,928 306.049,929 230.168,930 36.145,931 31.278,933 308.377,934 25.145,935 11,937 50.206,938 110.493,939 67.142,940 31.278,941 306.049,942 145.557,943 152.034,946 306.049,947 78.161,948 83.245,950 136.184,951 306.049,952 145.557,953 152.034,955 0.587,956 0.344,957 0.184,958 0.109,959 31,960 13,961 0.057,962 4,963 1,964 1.061,965 4.712,966 381.59,967 0.061,968 33,969 178.75,970 1,974 24.319,975 10.385,976 5.072,977 1.854,978 145.557,979 13.252,980 18.017,983 1.643,984 5.086,986 32.897,987 603.639,988 54,993 13.197,997 0.079,999 65.381,1000 73.477,1001 0.278,1002 0.621,1003 0.782,1004 0.86,1005 0.865,1006 0.865,1007 5.265,1008 1.937,1009 6.18,1010 6.09,1011 4.796,1012 5.306,1013 1.985,1014 7.006,1015 4.671,1016 6.465,1017 1.768,1018 7.745,1019 5.627,1020 4.369,1021 5.112,1022 0.766,1023 7.906,1024 4.197,1025 7.773,1026 1.487,1027 9.409,1028 4.835,1029 6.405,1030 7.512,1031 1.879,1032 11.027,1033 6.171,1034 9.117,1035 1.336,1036 11.131,1037 4.281,1038 6.804,1039 8.18,1040 0.931,1041 12.76,1042 6.524,1043 10.496,1044 1.235,1045 12.891,1046 3.614,1047 8.296,1048 10.051,1049 1.952,1050 15.391,1051 7.961,1052 11.899,1053 1.017,1054 14.677,1055 2.943,1056 9.075,1057 11.132,1058 1.142,1059 17.474,1060 8.692,1061 13.321,1062 1,1063 16.481,1064 2.536,1065 10.348,1066 12.785,1067 2.113,1068 19.935,1069 9.911,1070 3.242,1071 1,1072 18.3,1073 2.275,1074 11.313,1075 14.076,1076 1.436,1077 22.177,1078 10.822,1079 3.008,1080 11.166,1081 20.13,1082 2.275,1083 12.497,1084 15.637,1085 2.33,1086 24.579,1087 11.952,1088 2.807,1089 9.821,1090 21.969,1091 4.597,1092 13.552,1093 17.036,1094 1.783,1095 26.896,1096 12.95,1097 2.72,1098 9.093,1099 23.816,1100 3.911,1101 14.703,1102 18.561,1103 2.586,1104 29.281,1105 14.045,1106 2.465,1107 8.86,1108 25.668,1109 3.75,1110 15.804,1111 20.016,1112 2.156,1113 31.635,1114 15.086,1115 2.339,1116 7.608,1117 27.526,1118 3.361,1119 16.947,1120 21.53,1121 2.87,1122 34.02,1123 16.169,1124 2.241,1125 6.553,1126 29.388,1127 3.053,1128 18.071,1129 23.014,1130 2.541,1131 36.394,1132 17.231,1133 20077,1134 32360,1135 28.838,1136 44.216,1137 64.45,1138 65.105,1139 65.266,1140 63.882,1141 63.86,1142 81.513,1143 7.906,1144 186.513,1145 59.798,1146 5.657,1147 5.696,1148 6.569,1149 5.309,1150 5.242,1151 7.597,1152 2.293,1153 18.415,1154 5.019,1155 14.766,1156 1.535,1157 1.55,1158 1.554,1159 1.521,1160 1.52,1161 1.941,1162 0.188,1163 4.441,1164 1.424,1165 4.117,1166 4.138,1167 4.347,1168 4.097,1169 7.428,1170 4.057,1171 3.922,1172 3.964,1173 3.874,1174 3.818,1175 5.245,1176 3.823,1177 3.821,1178 3.878,1179 3.821,1180 3.669,1181 5.022,1182 3.678,1183 3.775,1184 3.833,1185 3.677,1186 3.593,1187 4.706,1188 3.604,1189 3.694,1190 3.739,1191 3.618,1192 3.509,1193 4.616,1194 3.516,1195 3.329,1196 3.389,1197 3.339,1198 3.117,1199 4.56,1200 3.143,1201 3.223,1202 3.288,1203 3.199,1204 3.018,1205 4.363,1206 3.035,1207 3.111,1208 3.206,1209 2.926,1210 2.941,1211 4.209,1212 2.91,1213 0.111,1214 0.088,1215 0.161,1216 0.099,1217 0.077,1218 4.657,1219 0.109,1220 3.696,1221 0.029,1222 6.767,1223 0.266,1224 4.171,1225 0.072,1226 3.242,1227 4.597,1228 1.2,1229 11.166,1230 3.019,1231 1.937,1232 1.918,1233 2.033,1234 2.058,1235 1.288,1236 2.047,1237 1.887,1238 1.852,1239 1.961,1240 2.047,1241 1.217,1242 2.031,1243 1.753,1244 1.683,1245 1.948,1246 1.941,1247 1.127,1248 1.953,1249 1.709,1250 1.658,1251 1.859,1252 1.931,1253 0.944,1254 1.914,1255 1.567,1256 1.523,1257 1.663,1258 1.761,1259 0.825,1260 1.739,1261 1.357,1262 1.354,1263 1.553,1264 1.529,1265 0.825,1266 1.536,1267 1.208,1268 1.134,1269 1.513,1270 1.376,1271 0.744,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.661,1278 1.429,1279 4.443,1281 5.784,1282 2.398,1283 7.322,1284 4.727,1285 8.944,1286 6.862,1287 10.611,1289 2.087,1293 5.684,1295 6.106,1297 5.573,1300 6.422,1305 42.056,1306 108.637,1307 243.217,1308 306.07,1309 336.699,1310 338.699,1311 338.699,1312 55.729,1313 8.813,1314 113.6,1315 141.84,1316 35,1317 12.998,1318 4.585,1319 3.7,1320 50.875,1321 173,1322 197,1323 0.143,1324 257.087,1325 435.65,1326 619.053,1327 89977,1329 25.355,1330 0.685,1331 0.58,1332 25.708,1333 21.447,1334 18.047,1335 0.43,1336 0.314,1337 12.207,1338 16.799,1339 11.888,1340 9.74,1341 18.455,1342 13.171,1343 16.535,1344 0.276,1345 0.173,1346 17.15,1347 10.354,1348 14.468,1349 0.176,1350 0.097,1351 15.324,1352 7.948,1353 12.007,1354 0.109,1355 0.052,1356 12.965,1357 5.737,1358 10.414,1359 0.069,1360 0.028,1361 11.346,1362 4.221,1363 0.224,1364 117.801,1365 0.186,1366 33.503,1367 0.395,1368 204,1369 581.159,1370 250.147,1371 581.065,1372 806.77,1373 548,1374 244,1375 585.818,1376 292.024,1377 609.209,1378 903.11,1379 573,1380 9}
{0 CHEMBL1090381,1 1.574,2 9.633,3 2.646,4 6.999,5 112.903,6 7.911,7 0.457,8 4.083,9 4.177,10 3.716,11 3.625,12 5.18,13 3.633,14 4.658,15 4.801,16 4.147,17 4.067,18 5.714,19 4.069,20 4.919,21 5.091,22 4.191,23 4.195,24 5.999,25 4.161,26 4.929,27 5.136,28 4.109,29 4.173,30 6.045,31 4.11,32 4.842,33 5.033,34 4.028,35 4.127,36 5.869,37 4.061,38 4.866,39 5.065,40 4.066,41 4.12,42 5.883,43 4.064,44 4.853,45 5.051,46 4.078,47 4.071,48 5.926,49 4.026,50 4.846,51 5.061,52 3.865,53 3.98,54 5.873,55 3.91,56 0.074,57 0.744,58 9.521,59 4.706,60 10.439,61 5.523,62 0.274,63 1.289,64 19.528,65 7.973,66 20.445,67 9.601,68 0.594,69 1.563,70 28.228,71 10.746,72 47.81,73 13.268,74 0.616,75 1.598,76 29.622,77 11.151,78 68.422,79 14.679,80 0.408,81 1.45,82 26.319,83 10.544,84 42.723,85 13.515,86 0.506,87 1.517,88 27.18,89 10.092,90 41.941,91 13.212,92 0.528,93 1.461,94 27.298,95 10.113,96 44.999,97 13.22,98 0.583,99 1.39,100 28.809,101 9.967,102 57.455,103 12.666,104 10,105 53,106 0.26,107 0.66,108 0.813,109 0.839,110 0.845,111 0.845,112 3.442,113 0.873,114 -3.39,115 -3.37,116 -3.22,119 45.1,121 2,124 1,125 2,127 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,161 1,172 5,174 1,175 12,180 2,183 5,186 2,187 8,192 1,195 3,198 2,199 8,202 2,204 1,207 3,211 1,212 4,217 1,220 8,223 3,224 3,229 1,232 5,236 4,237 9,242 1,245 5,250 4,253 1,258 1,262 1,263 6,266 2,268 1,271 2,275 1396,276 20.549,277 20.549,278 20.549,279 20.549,280 20.549,281 18.339,282 24.521,283 11.664,284 21.036,285 17.305,286 17.305,287 17.305,288 17.305,289 17.305,290 13.835,291 32.692,292 5.56,293 18.153,294 4.099,295 1.682,296 0.76,297 0.603,298 0.564,299 0.564,300 4.163,304 1,305 1,306 663,307 2.739,310 170.738,311 213.481,312 81.426,314 213.493,318 1.458,319 33.339,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.5,331 289,332 4.739,333 3.756,334 7.002,335 4.293,336 3.324,337 4.707,338 0.86,339 11.965,340 3.225,341 4.567,342 3.418,343 6.862,344 4.198,345 3.223,346 4.204,347 0.86,348 11.346,349 3.14,350 3.987,351 3.169,352 6.135,353 3.817,354 2.887,355 3.282,356 0.8,357 9.068,358 2.679,359 3.833,360 2.818,361 5.736,362 3.392,363 2.446,364 3.253,366 7.613,367 2.331,368 3.645,369 2.712,370 5.634,371 3.343,372 2.394,373 2.77,375 7.612,376 2.249,377 3.378,378 2.57,379 5.323,380 2.96,381 1.997,382 2.693,384 6.224,385 1.926,386 3.279,387 2.161,388 5.074,389 2.874,390 1.915,391 2.523,393 5.751,394 1.805,395 2.96,396 2.093,397 4.879,398 2.839,399 1.879,400 2.085,402 5.638,403 1.794,404 2.901,405 1.887,406 4.794,407 2.619,408 1.69,409 1.995,411 4.935,412 1.566,413 2.879,414 1.756,415 4.404,416 2.411,417 1.435,418 1.879,420 3.902,421 1.395,422 2.671,423 1.342,424 4.13,425 2.181,426 1.205,427 1.741,428 3.221,429 1.173,430 2.539,431 1.245,432 3.716,433 2.048,434 1.074,435 1.448,436 2.691,437 1.036,438 2.3,439 1.129,440 3.56,441 1.928,442 0.977,443 1.233,445 2.369,446 0.919,447 1.696,448 0.963,449 3.273,450 1.607,451 0.684,452 0.691,454 1.674,455 0.625,456 1.4,457 0.657,458 3.025,459 0.948,460 -0.014,461 -0.018,463 -0.039,464 -0.013,465 14.033,466 0.468,467 0.849,468 0.028,469 39.5,470 1.317,471 18.5,472 0.617,473 21,474 0.7,475 25.66,476 0.855,477 31.567,478 0.619,479 30.472,480 1.016,481 7.537,482 0.251,483 7.043,484 0.235,485 0.083,487 0.449,493 0.833,494 1.315,495 0.703,496 1.062,497 0.705,498 0.893,499 1.015,500 1.028,501 0.81,502 0.92,503 0.61,504 0.824,505 1.1,506 1.096,507 0.992,508 0.991,509 0.817,510 0.976,511 0.725,512 0.923,513 0.92,514 0.967,515 0.692,516 0.97,517 0.882,518 1.074,519 0.983,520 1.059,521 0.95,522 1.048,523 0.844,524 1.035,525 0.985,526 1.012,527 0.863,528 1.014,529 0.859,530 1.108,531 0.894,532 1.037,533 0.676,534 0.986,535 1.251,536 0.967,537 1.136,538 0.978,539 1.28,540 1.021,541 6,542 0.134,543 3.333,544 3.493,545 1.378,546 1.053,547 0.636,548 0.563,549 0.444,550 0.199,551 12056,552 30523,553 2.225,554 41.2,556 14,557 1,558 1,559 1,561 4,564 1.733,565 2.093,566 3.268,567 -0.349,568 1,569 1,573 80.258,574 1.574,575 3.991,576 4.913,577 5.069,578 5.109,579 5.109,580 2.664,581 4.482,582 4.883,583 3.448,584 1499.68,585 8.541,586 19925.2,588 1,590 1,591 289.294,592 1.368,593 4.846,594 0.171,595 0.006,596 0.063,597 0.066,598 0.029,599 0.023,600 0.014,601 0.012,602 0.012,603 0.007,604 0.403,605 0.5,606 0.88,607 0.496,608 150.893,609 -0.061,610 -0.199,611 0.067,612 -0.056,613 -0.062,614 0.013,615 -0.098,616 0.077,617 0.057,618 0.046,619 0.014,620 0.084,621 -0.051,622 -0.085,623 -0.046,624 -0.015,625 0.033,626 -0.03,627 0.118,628 0.09,629 0.039,630 0.008,631 0.214,632 0.013,633 -0.047,634 -0.084,635 -0.048,636 -0.061,637 -0.063,638 -0.058,639 0.015,640 0.004,641 -0.039,642 -0.049,643 -0.051,644 -0.051,645 0.094,646 -0.103,647 0.076,648 -0.068,649 0.106,650 -0.017,651 -0.154,652 0.002,653 -0.115,654 -0.015,655 -0.135,656 -0.048,657 1.977,658 5.843,659 0.867,660 23.938,661 1.011,662 1.119,663 2.156,664 4.649,665 0.68,666 3.584,667 3.989,668 4.357,669 4.727,670 4.956,671 5.106,672 5.308,673 5.493,674 5.645,675 5.787,676 6.104,677 0.66,678 403.47,679 3.584,680 5.176,681 6.08,682 7.008,683 7.924,684 8.854,685 9.776,686 10.707,687 11.631,688 12.562,689 5.9,695 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 51,733 18,734 1,735 35,737 56,738 23,739 13,740 3,741 3,742 3,746 6,747 9,755 4,758 4,761 16,762 7,766 2,771 1,773 1,775 2,778 1,781 21,782 6,783 1,784 7,790 3,794 0.5,795 4,801 1,805 1,807 1,811 3,812 3,813 1,815 2,831 2,839 1,840 3,844 1,848 30,853 1,854 4,856 2,858 2,859 1,870 7.8,872 1,873 1,874 1,875 1,877 14.333,878 9.55,879 6.25,880 3.157,881 4.048,882 1.464,883 1.029,884 4.034,885 12.776,886 3.829,887 4.486,888 5.15,889 5.801,890 6.335,891 6.723,892 7.199,893 7.668,894 8.02,895 8.448,896 1,897 53,898 11.176,900 5.09,901 7.722,902 21.473,904 18.95,905 2.222,906 66.667,909 1,910 235.422,911 112.189,912 21.809,914 89.828,917 112.189,918 325.25,919 21.809,920 8.396,921 9.28,922 56.429,923 119.477,924 42.015,925 11.771,926 211.88,928 235.422,929 133.998,930 89.828,933 188.338,934 125.913,935 11,937 21.942,938 80.551,939 31.505,941 235.422,942 111.637,943 112.189,946 235.422,947 38.317,948 78.896,950 106.614,951 235.422,952 111.637,953 112.189,955 0.601,956 0.369,957 0.215,958 0.113,959 31,960 13,961 0.036,962 2,963 4,964 1.269,965 4.095,966 302.993,967 0.308,968 25,969 141.207,974 18.134,975 6.673,976 2.827,977 1.842,978 109.738,979 10.674,980 4.568,984 2.496,985 1.963,986 42.683,987 459.248,988 45,993 12.843,995 1.754,997 -0.106,999 51.567,1000 57.069,1001 0.277,1002 0.704,1003 0.866,1004 0.894,1005 0.901,1006 0.901,1007 5.124,1008 1.879,1009 6.098,1010 5.751,1011 4.673,1012 5.173,1013 1.593,1014 6.993,1015 4.582,1016 6.353,1017 1.69,1018 7.705,1019 5.638,1020 4.369,1021 5.103,1022 0.325,1023 8.011,1024 4.237,1025 7.69,1026 1.435,1027 9.409,1028 4.935,1029 6.347,1030 7.432,1031 1.294,1032 11.18,1033 6.179,1034 9.063,1035 1.205,1036 11.17,1037 3.902,1038 6.868,1039 8.227,1040 0.268,1041 13.051,1042 6.666,1043 10.472,1044 1.074,1045 12.969,1046 3.221,1047 8.331,1048 10.054,1049 1.061,1050 15.74,1051 8.098,1052 11.907,1053 0.977,1054 14.796,1055 2.691,1056 9.225,1057 11.254,1058 0.188,1059 17.967,1060 8.965,1061 13.363,1062 0.684,1063 16.642,1064 2.369,1065 10.499,1066 12.891,1067 0.861,1068 20.499,1069 10.21,1070 3.324,1071 -0.014,1072 18.505,1073 1.674,1074 11.557,1075 14.275,1076 0.125,1077 22.868,1078 11.243,1079 3.223,1080 11.965,1081 20.381,1082 -0.039,1083 12.764,1084 15.842,1085 0.69,1086 25.35,1087 12.423,1088 2.887,1089 11.346,1090 22.267,1091 4.707,1092 13.892,1093 17.308,1094 0.082,1095 27.775,1096 13.525,1097 2.446,1098 9.068,1099 24.162,1100 4.204,1101 15.077,1102 18.85,1103 0.544,1104 30.243,1105 14.685,1106 2.394,1107 7.613,1108 26.064,1109 3.282,1110 16.235,1111 20.353,1112 0.054,1113 32.691,1114 15.818,1115 1.997,1116 7.612,1117 27.972,1118 3.253,1119 17.416,1120 21.888,1121 0.424,1122 35.155,1123 16.973,1124 1.915,1125 6.224,1126 29.885,1127 2.77,1128 18.587,1129 23.408,1130 0.035,1131 37.613,1132 18.119,1133 10835,1134 17413,1135 23.986,1136 34.688,1137 54.978,1138 56.237,1139 56.24,1140 54.303,1141 54.263,1142 69.006,1143 5.04,1144 168.019,1145 51.729,1146 5.739,1147 5.756,1148 6.538,1149 5.399,1150 5.324,1151 7.707,1152 1.72,1153 19.403,1154 5.225,1155 12.088,1156 1.571,1157 1.607,1158 1.607,1159 1.552,1160 1.55,1161 1.972,1162 0.144,1163 4.801,1164 1.478,1165 4.158,1166 4.193,1167 4.13,1168 4.046,1169 7.428,1170 4.063,1171 3.97,1172 3.976,1173 3.942,1174 3.873,1175 6.468,1176 3.887,1177 3.897,1178 3.94,1179 3.797,1180 3.733,1181 5.027,1182 3.741,1183 3.506,1184 3.547,1185 3.44,1186 3.393,1187 4.799,1188 3.4,1189 3.42,1190 3.467,1191 3.326,1192 3.24,1193 4.666,1194 3.254,1195 3.163,1196 3.252,1197 3.032,1198 2.954,1199 4.387,1200 2.96,1201 3.093,1202 3.176,1203 2.916,1204 2.951,1205 4.249,1206 2.926,1207 3.053,1208 3.112,1209 2.89,1210 2.872,1211 3.988,1212 2.866,1213 0.135,1214 0.107,1215 0.2,1216 0.123,1217 0.095,1218 4.739,1219 0.134,1220 3.756,1221 0.025,1222 7.002,1223 0.342,1224 4.293,1225 0.092,1226 3.324,1227 4.707,1228 0.86,1229 11.965,1230 3.225,1231 1.916,1232 1.889,1233 1.989,1234 2.053,1235 1.255,1236 2.036,1237 1.859,1238 1.846,1239 1.944,1240 1.951,1241 1.248,1242 1.947,1243 1.652,1244 1.613,1245 1.86,1246 1.867,1247 1.055,1248 1.851,1249 1.604,1250 1.554,1251 1.804,1252 1.792,1253 1.021,1254 1.798,1255 1.604,1256 1.543,1257 1.776,1258 1.76,1259 0.885,1260 1.786,1261 1.36,1262 1.32,1263 1.552,1264 1.568,1265 0.615,1266 1.557,1267 1.067,1268 1.033,1269 1.232,1270 1.246,1271 0.496,1272 1.245,1273 0.86,1274 0.84,1275 1.215,1276 1.107,1277 0.298,1278 1.114,1279 4.263,1281 5.645,1282 3.434,1283 7.216,1284 5.9,1285 8.874,1286 8.055,1287 10.581,1289 1.946,1294 10.071,1295 3.918,1297 11.782,1299 0.546,1300 2.371,1305 33.665,1306 80.258,1307 203.536,1308 250.539,1309 258.539,1310 260.539,1311 260.539,1312 48.665,1313 8.728,1314 80.73,1315 80.73,1316 33,1317 13.064,1318 4.248,1319 3.459,1320 37.587,1321 109,1322 94,1323 0.167,1324 197.055,1325 344,1326 472.575,1327 84267,1329 20.405,1330 0.68,1331 0.551,1332 20.405,1333 16.538,1334 14.581,1335 0.417,1336 0.291,1337 10.024,1338 13.947,1339 9.841,1340 8.023,1341 14.581,1342 10.189,1343 13.922,1344 0.263,1345 0.154,1346 13.922,1347 8.177,1348 12.538,1349 0.163,1350 0.081,1351 12.538,1352 6.21,1353 11.568,1354 0.103,1355 0.043,1356 11.568,1357 4.861,1358 9.243,1359 0.066,1360 0.024,1361 9.243,1362 3.35,1363 0.256,1364 91.959,1365 0.204,1366 27.689,1367 0.479,1368 176,1369 504.292,1370 194.895,1371 477.858,1372 667.9,1373 450,1374 218,1375 509.493,1376 239.338,1377 509.626,1378 763.74,1379 482,1380 6.983}
{0 CHEMBL1090382,1 1.574,2 9.567,3 2.646,4 6.999,5 112.903,6 7.911,7 0.457,8 4.083,9 4.177,10 3.716,11 3.625,12 5.183,13 3.633,14 4.658,15 4.801,16 4.143,17 4.071,18 5.706,19 4.07,20 4.915,21 5.091,22 4.222,23 4.215,24 5.991,25 4.183,26 4.961,27 5.159,28 4.145,29 4.211,30 6.077,31 4.149,32 4.873,33 5.058,34 4.068,35 4.177,36 5.895,37 4.11,38 4.922,39 5.127,40 4.113,41 4.158,42 5.926,43 4.099,44 4.89,45 5.102,46 4.013,47 4.059,48 5.952,49 4.002,50 4.806,51 5.014,52 3.865,53 3.951,54 5.829,55 3.882,56 0.074,57 0.744,58 9.521,59 4.706,60 9.939,61 5.523,62 0.294,63 1.294,64 19.605,65 7.966,66 22.462,67 9.596,68 0.527,69 1.594,70 27.611,71 10.561,72 42.038,73 13.303,74 0.664,75 1.619,76 30.628,77 11.751,78 72.862,79 15.111,80 0.401,81 1.504,82 26.676,83 10.952,84 43.339,85 13.97,86 0.495,87 1.605,88 28.97,89 10.825,90 42.063,91 14.397,92 0.634,93 1.525,94 29.053,95 9.87,96 51.81,97 12.968,98 0.476,99 1.304,100 27.372,101 10.201,102 52.618,103 12.972,104 10,105 53,106 0.26,107 0.66,108 0.813,109 0.839,110 0.845,111 0.845,112 3.442,113 0.873,114 -3.39,115 -3.37,116 -3.22,119 45.1,121 2,124 1,125 2,127 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,161 1,172 5,174 1,175 12,180 2,183 5,186 2,187 8,192 1,195 3,198 2,199 8,202 2,204 1,207 7,211 1,212 4,217 1,220 6,223 3,224 7,229 1,232 5,236 4,237 5,242 1,245 3,250 6,253 1,258 1,262 1,263 6,266 2,268 1,271 4,275 1368,276 20.654,277 20.654,278 20.654,279 20.654,280 20.654,281 18.443,282 25.527,283 11.734,284 21.141,285 17.282,286 17.282,287 17.282,288 17.282,289 17.282,290 13.821,291 34.798,292 5.528,293 18.108,294 4.099,295 1.682,296 0.76,297 0.603,298 0.564,299 0.564,300 4.163,304 1,305 1,306 657,307 2.739,310 162.016,311 209.45,312 76.598,314 209.388,318 1.396,319 33.2,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.5,331 287,332 4.749,333 3.756,334 7.095,335 4.329,336 3.368,337 4.709,338 0.86,339 12.324,340 3.246,341 4.569,342 3.522,343 6.865,344 4.212,345 3.235,346 4.204,347 0.86,348 11.359,349 3.155,350 4.15,351 3.149,352 6.603,353 3.964,354 3.018,355 3.375,356 0.8,357 10.487,358 2.855,359 3.833,360 2.817,361 5.737,362 3.365,363 2.398,364 3.257,366 7.613,367 2.314,368 3.523,369 2.572,370 5.588,371 3.157,372 2.21,373 2.765,375 7,376 2.088,377 3.368,378 2.391,379 5.179,380 2.947,381 1.981,382 2.678,384 5.956,385 1.921,386 3.279,387 2.151,388 5.086,389 2.874,390 1.913,391 2.523,393 5.839,394 1.822,395 2.93,396 2.016,397 5.073,398 2.851,399 1.879,400 2.063,402 5.748,403 1.805,404 2.879,405 1.961,406 4.558,407 2.416,408 1.467,409 1.879,411 4.11,412 1.397,413 2.732,414 1.766,415 4.402,416 2.348,417 1.42,418 1.815,420 3.902,421 1.309,422 2.645,423 1.454,424 3.865,425 2.176,426 1.266,427 1.684,428 2.91,429 1.161,430 2.499,431 1.342,432 3.715,433 2.149,434 1.183,435 1.392,436 2.758,437 1.115,438 2.306,439 1.199,440 3.56,441 1.997,442 1.018,443 1.294,445 2.405,446 0.98,447 1.918,448 0.893,449 3.531,450 1.725,451 0.778,452 0.866,454 2.112,455 0.734,456 1.399,457 0.654,458 3.014,459 0.949,460 -0.014,461 -0.018,463 -0.039,464 -0.013,465 14.033,466 0.468,467 0.816,468 0.027,469 39.5,470 1.317,471 18.5,472 0.617,473 21,474 0.7,475 25.879,476 0.863,477 31.567,478 0.619,479 30.584,480 1.019,481 7.553,482 0.252,483 7.061,484 0.235,485 0.083,487 0.449,493 0.833,494 1.315,495 0.703,496 1.062,497 0.699,498 0.893,499 1.032,500 1.055,501 0.823,502 0.896,503 0.625,504 0.819,505 0.95,506 1.056,507 0.932,508 0.986,509 0.747,510 0.951,511 0.833,512 0.913,513 0.941,514 0.961,515 0.729,516 0.97,517 0.859,518 1.096,519 1.006,520 1.093,521 0.935,522 1.086,523 0.772,524 1.147,525 0.933,526 1.061,527 0.797,528 1.031,529 0.99,530 0.965,531 1.063,532 0.977,533 0.735,534 1.008,535 1.127,536 1.07,537 1.02,538 1.089,539 1.256,540 1.054,541 5,542 0.133,543 3.778,544 3.521,545 1.343,546 1.091,547 0.675,548 0.57,549 0.394,550 0.263,551 11744,552 30019,553 2.225,554 41.2,556 14,557 1,558 1,559 1,561 4,564 1.734,565 2.093,566 3.241,567 -0.349,568 1,569 1,573 80.258,574 1.574,575 3.991,576 4.913,577 5.069,578 5.109,579 5.109,580 2.664,581 4.282,582 4.884,583 3.41,584 1483.21,585 8.545,586 19560.2,588 1,590 1,591 289.294,592 1.368,593 4.846,594 0.143,595 0.007,596 0.071,597 0.064,598 0.027,599 0.023,600 0.014,601 0.014,602 0.011,603 0.008,604 0.382,605 0.5,606 0.88,607 0.496,608 150.34,609 -0.061,610 -0.199,611 0.067,612 -0.056,613 -0.055,614 0.013,615 -0.116,616 0.049,617 0.044,618 0.07,619 -0.002,620 0.09,621 -0.006,622 -0.013,623 -0.004,624 -0.017,625 0.066,626 -0.006,627 0.086,628 0.075,629 0.022,630 0.026,631 0.188,632 0.015,633 -0.049,634 -0.101,635 -0.086,636 -0.091,637 -0.075,638 -0.098,639 0.053,640 -0.122,641 0.019,642 -0.094,643 -0.019,644 -0.056,645 0.001,646 0.076,647 -0.072,648 -0.041,649 0.052,650 -0.06,651 -0.061,652 -0.148,653 -0.006,654 -0.095,655 -0.098,656 -0.054,657 1.975,658 5.863,659 0.867,660 22.907,661 1.011,662 1.119,663 2.156,664 4.649,665 0.68,666 3.584,667 3.989,668 4.382,669 4.762,670 4.997,671 5.153,672 5.338,673 5.533,674 5.673,675 5.811,676 5.974,677 0.66,678 403.47,679 3.584,680 5.176,681 6.089,682 7.022,683 7.948,684 8.886,685 9.816,686 10.755,687 11.688,688 12.626,689 5.9,695 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 51,733 18,734 1,735 35,737 56,738 23,739 13,740 3,741 3,742 3,746 6,747 9,755 4,758 4,761 16,762 7,766 2,771 1,773 1,775 2,778 1,781 21,782 6,783 1,784 7,790 3,794 0.5,795 4,805 1,807 1,808 1,811 3,812 3,813 1,815 2,831 2,839 1,840 3,844 1,848 30,853 1,854 4,856 2,858 2,859 1,870 7.8,872 1,873 1,874 1,875 1,877 14.333,878 9.55,879 6.306,880 3.146,881 4.052,882 1.461,883 1.018,884 4.034,885 12.837,886 3.829,887 4.486,888 5.161,889 5.819,890 6.359,891 6.758,892 7.235,893 7.708,894 8.053,895 8.48,896 1,897 55,898 11.173,900 5.086,901 7.722,902 21.473,904 18.967,905 2.222,906 66.667,909 1,910 235.422,911 117.163,912 21.809,914 89.828,917 117.163,918 325.25,919 21.809,920 8.396,921 14.254,922 56.429,923 119.477,924 42.015,925 11.771,926 211.88,928 235.422,929 138.972,930 89.828,933 188.338,934 125.913,935 11,937 26.916,938 80.551,939 31.505,941 235.422,942 111.637,943 117.163,946 235.422,947 43.29,948 78.896,950 106.614,951 235.422,952 111.637,953 117.163,955 0.599,956 0.375,957 0.223,958 0.117,959 31,960 13,961 0.036,962 2,963 4,964 1.269,965 4.055,966 306.221,967 0.308,968 25,969 138.452,974 18.134,975 6.673,976 2.681,977 1.86,978 109.738,979 10.717,980 4.585,984 2.53,985 1.97,986 42.683,987 464.222,988 45,993 12.863,995 1.762,997 -0.101,999 51.567,1000 57.069,1001 0.277,1002 0.704,1003 0.866,1004 0.894,1005 0.901,1006 0.901,1007 5.124,1008 1.879,1009 6.107,1010 5.839,1011 4.673,1012 5.173,1013 1.593,1014 7.022,1015 4.586,1016 6.353,1017 1.467,1018 7.726,1019 5.748,1020 4.369,1021 5.103,1022 0.325,1023 8.098,1024 4.254,1025 7.693,1026 1.42,1027 9.447,1028 4.11,1029 6.361,1030 7.437,1031 1.294,1032 11.283,1033 6.202,1034 9.072,1035 1.266,1036 11.227,1037 3.902,1038 6.909,1039 8.237,1040 0.268,1041 13.217,1042 6.721,1043 10.488,1044 1.183,1045 13.046,1046 2.91,1047 8.379,1048 10.063,1049 1.061,1050 15.92,1051 8.153,1052 11.93,1053 1.018,1054 14.893,1055 2.758,1056 9.304,1057 11.265,1058 0.188,1059 18.188,1060 9.047,1061 13.392,1062 0.778,1063 16.759,1064 2.405,1065 10.585,1066 12.901,1067 0.861,1068 20.737,1069 10.294,1070 3.368,1071 -0.014,1072 18.64,1073 2.112,1074 11.668,1075 14.286,1076 0.125,1077 23.133,1078 11.344,1079 3.235,1080 12.324,1081 20.534,1082 -0.039,1083 12.884,1084 15.851,1085 0.69,1086 25.633,1087 12.527,1088 3.018,1089 11.359,1090 22.436,1091 4.709,1092 14.03,1093 17.317,1094 0.082,1095 28.079,1096 13.64,1097 2.398,1098 10.487,1099 24.346,1100 4.204,1101 15.225,1102 18.858,1103 0.544,1104 30.565,1105 14.803,1106 2.21,1107 7.613,1108 26.262,1109 3.375,1110 16.397,1111 20.36,1112 0.054,1113 33.034,1114 15.942,1115 1.981,1116 7,1117 28.182,1118 3.257,1119 17.588,1120 21.895,1121 0.424,1122 35.518,1123 17.1,1124 1.913,1125 5.956,1126 30.106,1127 2.765,1128 18.771,1129 23.415,1130 0.035,1131 37.997,1132 18.25,1133 10601,1134 17111,1135 23.986,1136 34.688,1137 54.991,1138 56.174,1139 56.916,1140 54.302,1141 54.267,1142 69.007,1143 5.04,1144 169.048,1145 51.802,1146 5.749,1147 5.756,1148 6.631,1149 5.433,1150 5.368,1151 7.709,1152 1.72,1153 19.978,1154 5.246,1155 12.061,1156 1.571,1157 1.605,1158 1.626,1159 1.551,1160 1.55,1161 1.972,1162 0.144,1163 4.83,1164 1.48,1165 4.164,1166 4.199,1167 4.135,1168 4.051,1169 7.428,1170 4.068,1171 3.972,1172 3.979,1173 3.943,1174 3.875,1175 6.468,1176 3.889,1177 3.895,1178 3.944,1179 3.8,1180 3.741,1181 5.027,1182 3.747,1183 3.493,1184 3.524,1185 3.43,1186 3.382,1187 4.799,1188 3.389,1189 3.397,1190 3.453,1191 3.296,1192 3.223,1193 4.64,1194 3.234,1195 3.144,1196 3.206,1197 2.966,1198 2.951,1199 4.386,1200 2.926,1201 3.093,1202 3.176,1203 2.947,1204 2.895,1205 4.249,1206 2.898,1207 3.066,1208 3.119,1209 2.89,1210 2.876,1211 4.054,1212 2.881,1213 0.136,1214 0.107,1215 0.203,1216 0.124,1217 0.096,1218 4.749,1219 0.135,1220 3.756,1221 0.025,1222 7.095,1223 0.352,1224 4.329,1225 0.093,1226 3.368,1227 4.709,1228 0.86,1229 12.324,1230 3.246,1231 1.914,1232 1.887,1233 1.981,1234 2.048,1235 1.255,1236 2.029,1237 1.859,1238 1.846,1239 1.944,1240 1.951,1241 1.248,1242 1.947,1243 1.652,1244 1.613,1245 1.86,1246 1.866,1247 1.055,1248 1.85,1249 1.604,1250 1.554,1251 1.803,1252 1.797,1253 1.021,1254 1.798,1255 1.603,1256 1.543,1257 1.779,1258 1.76,1259 0.885,1260 1.79,1261 1.362,1262 1.32,1263 1.554,1264 1.571,1265 0.615,1266 1.56,1267 1.067,1268 1.033,1269 1.232,1270 1.246,1271 0.496,1272 1.246,1273 0.86,1274 0.84,1275 1.215,1276 1.107,1277 0.296,1278 1.114,1279 4.263,1281 5.645,1282 3.434,1283 7.225,1284 5.938,1285 8.897,1286 8.116,1287 10.618,1289 1.951,1294 10.08,1295 3.71,1297 11.552,1299 0.723,1300 2.466,1305 33.665,1306 80.258,1307 203.536,1308 250.539,1309 258.539,1310 260.539,1311 260.539,1312 48.674,1313 8.785,1314 80.73,1315 80.73,1316 33,1317 13.124,1318 4.248,1319 3.459,1320 37.563,1321 107,1322 94,1323 0.171,1324 197.055,1325 344,1326 472.575,1327 90147,1329 20.405,1330 0.68,1331 0.551,1332 20.405,1333 16.538,1334 14.614,1335 0.418,1336 0.291,1337 10.011,1338 13.975,1339 9.825,1340 8.018,1341 14.614,1342 10.179,1343 13.751,1344 0.259,1345 0.154,1346 13.751,1347 8.144,1348 12.652,1349 0.16,1350 0.08,1351 12.652,1352 6.345,1353 11.771,1354 0.101,1355 0.043,1356 11.771,1357 5.023,1358 9.489,1359 0.065,1360 0.023,1361 9.489,1362 3.445,1363 0.261,1364 92.27,1365 0.204,1366 27.557,1367 0.495,1368 176,1369 504.292,1370 194.232,1371 477.664,1372 667.22,1373 450,1374 220,1375 506.379,1376 241.006,1377 508.205,1378 763.14,1379 480,1380 7.721}
{0 CHEMBL1090383,1 1.575,2 10.069,3 2.397,4 5.745,5 112.998,6 7.656,7 0.485,8 4.062,9 4.172,10 3.665,11 3.58,12 5.17,13 3.581,14 4.612,15 4.789,16 4.062,17 3.999,18 5.657,19 3.994,20 4.832,21 5.007,22 4.144,23 4.158,24 5.931,25 4.12,26 4.95,27 5.164,28 4.095,29 4.182,30 6.056,31 4.106,32 4.896,33 5.117,34 3.973,35 4.114,36 5.879,37 4.031,38 4.836,39 5.053,40 3.984,41 4.061,42 5.841,43 3.993,44 4.799,45 5.012,46 3.965,47 4.012,48 5.858,49 3.952,50 4.81,51 5.03,52 3.852,53 3.961,54 5.838,55 3.885,56 0.051,57 0.774,58 10.079,59 4.466,60 8.608,61 5.65,62 0.263,63 1.292,64 20.113,65 7.031,66 16.167,67 9.344,68 0.385,69 1.513,70 25.566,71 9.73,72 34.163,73 12.727,74 0.544,75 1.609,76 30.96,77 11.628,78 68.25,79 15.78,80 0.416,81 1.518,82 29.709,83 10.809,84 45.444,85 14.729,86 0.453,87 1.483,88 27.407,89 9.484,90 38.444,91 13.196,92 0.442,93 1.413,94 26.501,95 9.298,96 40.268,97 12.645,98 0.435,99 1.337,100 27.914,101 9.793,102 48.194,103 13.097,104 17,105 49,106 0.262,107 0.633,108 0.768,109 0.839,110 0.846,111 0.846,112 3.409,113 0.879,114 -3.17,115 -3.16,116 -3.04,119 43.1,124 2,125 4,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,161 1,172 4,174 1,175 10,180 2,183 5,186 2,187 6,192 1,195 3,198 2,199 8,202 2,204 1,207 3,211 1,212 4,217 1,220 4,223 3,224 3,229 1,232 3,236 4,237 5,242 1,245 3,250 4,253 1,258 1,262 1,263 4,266 2,268 1,271 2,275 1306,276 19.654,277 19.654,278 19.654,279 19.654,280 19.654,281 17.443,282 24.016,283 11.23,284 20.153,285 16.271,286 16.271,287 16.271,288 16.271,289 16.271,290 12.802,291 32.119,292 5.309,293 17.084,294 4.097,295 1.862,296 1.049,297 0.618,298 0.579,299 0.579,300 4.117,304 1,305 1,306 650,307 2.646,310 108.675,311 220.59,314 211.807,318 1.529,319 29.007,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 292,332 4.738,333 3.756,334 6.999,335 4.289,336 3.32,337 4.707,338 0.86,339 11.953,340 3.223,341 4.567,342 3.38,343 6.862,344 4.196,345 3.221,346 4.204,347 0.8,348 11.345,349 3.138,350 3.907,351 2.95,352 6.069,353 3.638,354 2.711,355 3.27,356 0.8,357 8.702,358 2.516,359 3.829,360 2.817,361 5.735,362 3.362,363 2.398,364 3.247,366 7.613,367 2.306,368 3.416,369 2.595,370 5.383,371 3.212,372 2.29,373 2.702,375 6.415,376 2.109,377 3.362,378 2.567,379 5.075,380 2.959,381 1.997,382 2.523,384 6.008,385 1.926,386 3.279,387 2.162,388 5.059,389 2.874,390 1.915,391 2.457,393 5.751,394 1.805,395 2.963,396 1.909,397 4.779,398 2.643,399 1.717,400 2.08,402 4.94,403 1.586,404 2.906,405 1.759,406 4.404,407 2.412,408 1.436,409 1.995,411 3.902,412 1.395,413 2.672,414 1.342,415 4.133,416 2.182,417 1.208,418 1.744,420 3.248,421 1.175,422 2.545,423 1.258,424 3.716,425 2.057,426 1.088,427 1.463,428 2.697,429 1.044,430 2.33,431 1.146,432 3.56,433 1.967,434 1,435 1.261,436 2.37,437 0.965,438 2,439 1.146,440 3.414,441 1.934,442 0.984,443 1,445 2.275,446 0.924,447 1.402,448 0.658,449 3.02,450 0.966,451 0.006,452 0.007,454 0.016,455 0.005,456 1.081,457 0.104,458 2.62,459 0.831,460 -0.126,461 -0.144,463 -0.295,464 -0.12,465 13.6,466 0.469,467 0.819,468 0.028,469 38.75,470 1.336,471 18.5,472 0.638,473 20.25,474 0.698,475 23.678,476 0.816,477 30.8,478 0.604,479 30.592,480 1.055,481 7.74,482 0.267,483 6.285,484 0.217,485 0.123,487 0.419,493 0.852,494 1.462,495 0.742,496 1.119,497 0.705,498 0.946,499 1.022,500 0.921,501 0.801,502 0.76,503 0.574,504 0.713,505 0.957,506 1.088,507 0.953,508 1.053,509 0.784,510 1.003,511 0.727,512 0.98,513 0.899,514 1.037,515 0.695,516 1.005,517 0.944,518 1.018,519 0.976,520 1.004,521 0.925,522 1,523 0.851,524 1.066,525 0.985,526 1.014,527 0.867,528 1.013,529 0.934,530 1.016,531 0.965,532 1.019,533 0.723,534 0.999,535 1.185,536 1.068,537 1.018,538 1.035,539 1.254,540 1.015,541 5.5,542 0.107,543 3.778,544 3.333,545 1.534,546 1.164,547 0.714,548 0.631,549 0.487,550 0.23,551 10451,552 26302,553 2.15,554 43.1,556 19,557 1,558 1,559 1,564 1.724,565 2,566 3.304,567 -0.336,568 1,569 1,573 80.324,574 1.575,575 3.811,576 4.623,577 5.055,578 5.094,579 5.094,580 2.748,581 4.513,582 4.831,583 3.457,584 1403.37,585 8.44,586 18238.4,588 1,590 1,591 289.294,592 1.44,593 4.786,594 0.167,595 0.006,596 0.077,597 0.065,598 0.033,599 0.028,600 0.017,601 0.015,602 0.014,603 0.008,604 0.43,605 0.5,606 0.88,607 0.562,608 144.58,609 -0.057,610 -0.297,611 0.067,612 -0.095,613 -0.064,614 -0.014,615 -0.118,616 0.233,617 0.101,618 0.191,619 0.028,620 0.201,621 0.002,622 -0.028,623 -0.036,624 -0.062,625 0.064,626 -0.052,627 0.171,628 -0.004,629 0.063,630 -0.035,631 0.224,632 -0.009,633 -0.047,634 -0.048,635 -0.007,636 -0.008,637 -0.048,638 -0.003,639 0.038,640 -0.033,641 -0.027,642 -0.051,643 -0.038,644 -0.049,645 0.043,646 0.002,647 0.004,648 -0.053,649 0.074,650 -0.037,651 -0.079,652 -0.134,653 -0.014,654 -0.047,655 -0.087,656 -0.029,657 1.972,658 5.796,659 0.828,660 23.622,661 1.007,662 1.125,663 1.941,664 3.768,665 0.671,666 3.526,667 3.912,668 4.263,669 4.605,670 4.844,671 4.956,672 5.147,673 5.333,674 5.434,675 5.545,676 6.066,677 0.646,678 390.48,679 3.526,680 5.106,681 5.999,682 6.917,683 7.827,684 8.75,685 9.667,686 10.592,687 11.512,688 12.439,689 7.8,692 1,695 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 51,733 18,734 1,735 33,737 55,738 22,739 13,740 3,741 3,742 3,746 5,747 7,761 16,762 6,766 2,771 1,773 1,775 2,778 1,781 22,782 6,783 1,784 7,790 4,794 0.6,795 3,805 1,807 1,811 2,812 3,815 2,831 2,836 1,840 3,844 2,848 29,853 1,854 4,856 1,859 2,870 5.9,872 1,873 1,875 1,877 14.5,878 9.917,879 6.167,880 3.029,881 4.027,882 1.486,883 1.007,884 4.428,885 12.311,886 3.784,887 4.44,888 5.108,889 5.761,890 6.305,891 6.686,892 7.157,893 7.619,894 7.949,895 8.372,896 0.857,897 51,898 10.767,900 4.754,901 7.724,902 20.621,904 17.517,905 2.224,906 64.5,909 1,910 247.193,911 119.728,912 24.933,914 78.828,917 119.728,918 326.021,919 24.933,920 16.793,921 8.423,922 56.429,923 108.477,924 45.139,925 11.771,926 223.651,928 247.193,929 144.661,930 78.828,933 247.193,934 78.828,937 24.209,938 88.947,939 31.505,941 247.193,942 103.761,943 119.728,946 247.193,947 37.459,948 90.417,950 95.614,951 247.193,952 103.761,953 119.728,955 0.597,956 0.364,957 0.207,958 0.113,959 27,960 12,961 0.036,962 2,963 2,964 1.167,965 3.958,966 279.316,967 0.167,968 24,969 134.127,974 18.372,975 6.99,976 3.043,977 1.864,978 101.862,979 10.678,980 4.55,984 2.533,985 1.964,986 42.683,987 470.683,988 43,993 12.796,995 1.755,997 -0.095,999 51.342,1000 57.358,1001 0.278,1002 0.672,1003 0.815,1004 0.891,1005 0.898,1006 0.898,1007 5.063,1008 1.717,1009 6.014,1010 5.751,1011 4.595,1012 5.127,1013 1.481,1014 6.901,1015 4.505,1016 6.295,1017 1.436,1018 7.619,1019 4.94,1020 4.29,1021 5.066,1022 0.57,1023 7.936,1024 4.159,1025 7.632,1026 1.208,1027 9.325,1028 3.902,1029 6.26,1030 7.403,1031 1.104,1032 11.1,1033 6.096,1034 9.008,1035 1.088,1036 11.09,1037 3.248,1038 6.781,1039 8.205,1040 0.479,1041 12.995,1042 6.59,1043 10.42,1044 1,1045 12.894,1046 2.697,1047 8.243,1048 10.039,1049 0.854,1050 15.686,1051 8.023,1052 11.859,1053 0.984,1054 14.726,1055 2.37,1056 9.139,1057 11.243,1058 0.346,1059 17.927,1060 8.897,1061 13.319,1062 0.006,1063 16.579,1064 2.275,1065 10.414,1066 12.884,1067 0.661,1068 20.463,1069 10.146,1070 3.32,1071 -0.126,1072 18.447,1073 0.016,1074 11.475,1075 14.27,1076 0.237,1077 22.84,1078 11.186,1079 3.221,1080 11.953,1081 20.329,1082 -0.295,1083 12.685,1084 15.838,1085 0.505,1086 25.325,1087 12.37,1088 2.711,1089 11.345,1090 22.221,1091 4.707,1092 13.816,1093 17.305,1094 0.158,1095 27.754,1096 13.478,1097 2.398,1098 8.702,1099 24.12,1100 4.204,1101 15.005,1102 18.848,1103 0.382,1104 30.223,1105 14.642,1106 2.29,1107 7.613,1108 26.027,1109 3.27,1110 16.166,1111 20.351,1112 0.104,1113 32.673,1114 15.779,1115 1.997,1116 6.415,1117 27.939,1118 3.247,1119 17.35,1120 21.887,1121 0.285,1122 35.138,1123 16.938,1124 1.915,1125 6.008,1126 29.855,1127 2.702,1128 18.525,1129 23.407,1130 0.068,1131 37.597,1132 18.087,1133 9718,1134 15618,1135 22.194,1136 34.239,1137 51.349,1138 52.287,1139 53.26,1140 50.658,1141 50.581,1142 65.319,1143 4.92,1144 154.465,1145 48.235,1146 5.738,1147 5.756,1148 6.535,1149 5.357,1150 5.32,1151 7.707,1152 1.72,1153 19.352,1154 5.223,1155 13.882,1156 1.556,1157 1.584,1158 1.614,1159 1.535,1160 1.533,1161 1.979,1162 0.149,1163 4.681,1164 1.462,1165 4.154,1166 4.19,1167 4.127,1168 4.043,1169 7.428,1170 4.06,1171 3.969,1172 3.975,1173 3.941,1174 3.873,1175 6.468,1176 3.887,1177 3.799,1178 3.877,1179 3.683,1180 3.596,1181 5.025,1182 3.607,1183 3.497,1184 3.536,1185 3.431,1186 3.379,1187 4.799,1188 3.386,1189 3.409,1190 3.463,1191 3.308,1192 3.227,1193 4.413,1194 3.239,1195 3.165,1196 3.268,1197 3.012,1198 2.941,1199 4.358,1200 2.931,1201 3.111,1202 3.206,1203 2.915,1204 2.926,1205 4.243,1206 2.91,1207 3.057,1208 3.115,1209 2.866,1210 2.87,1211 3.965,1212 2.861,1213 0.144,1214 0.114,1215 0.212,1216 0.13,1217 0.101,1218 4.738,1219 0.143,1220 3.756,1221 0.026,1222 6.999,1223 0.362,1224 4.289,1225 0.098,1226 3.32,1227 4.707,1228 0.86,1229 11.953,1230 3.223,1231 1.925,1232 1.893,1233 2.029,1234 2.076,1235 1.31,1236 2.065,1237 1.859,1238 1.847,1239 1.945,1240 1.951,1241 1.07,1242 1.947,1243 1.703,1244 1.638,1245 1.88,1246 1.923,1247 1.043,1248 1.914,1249 1.652,1250 1.605,1251 1.793,1252 1.823,1253 0.885,1254 1.818,1255 1.372,1256 1.328,1257 1.57,1258 1.585,1259 0.825,1260 1.574,1261 1.153,1262 1.064,1263 1.518,1264 1.436,1265 0.659,1266 1.468,1267 1.15,1268 1.05,1269 1.513,1270 1.376,1271 0.59,1272 1.429,1273 1.067,1274 1.025,1275 1.232,1276 1.246,1277 0.296,1278 1.245,1279 4.205,1281 5.572,1282 3.045,1283 7.135,1284 5.533,1285 8.787,1286 7.727,1287 10.488,1289 4.08,1294 10.044,1295 3.886,1297 5.763,1300 4.682,1305 32.971,1306 80.324,1307 194.339,1308 235.784,1309 257.784,1310 259.784,1311 259.784,1312 47.266,1313 8.284,1314 74.74,1315 74.74,1316 28,1317 12.944,1318 4.248,1319 3.459,1320 39.414,1321 104,1322 115,1323 0.184,1324 197.654,1325 341.27,1326 474.037,1327 48377,1329 20.121,1330 0.694,1331 0.566,1332 20.121,1333 16.422,1334 14.025,1335 0.425,1336 0.293,1337 9.496,1338 13.396,1339 9.245,1340 7.621,1341 14.025,1342 9.665,1343 13.165,1344 0.269,1345 0.155,1346 13.165,1347 7.604,1348 11.677,1349 0.167,1350 0.081,1351 11.677,1352 5.67,1353 10.373,1354 0.105,1355 0.041,1356 10.373,1357 4.097,1358 8.484,1359 0.067,1360 0.023,1361 8.484,1362 2.891,1363 0.283,1364 88.506,1365 0.212,1366 26.964,1367 0.528,1368 164,1369 468.201,1370 180.436,1371 449.678,1372 625.82,1373 422,1374 201,1375 474.799,1376 220.128,1377 479.929,1378 713.66,1379 451,1380 6.762}
{0 CHEMBL1090387,1 1.637,2 14.568,3 1.937,4 3.752,5 138.605,6 8.14,7 0.524,8 4.25,9 4.357,10 3.899,11 3.769,12 5.404,13 3.786,14 4.78,15 4.932,16 4.276,17 4.166,18 5.927,19 4.173,20 4.99,21 5.165,22 4.319,23 4.294,24 6.133,25 4.27,26 5.029,27 5.228,28 4.274,29 4.307,30 6.117,31 4.259,32 5.029,33 5.213,34 4.297,35 4.293,36 6.204,37 4.253,38 5.075,39 5.277,40 4.284,41 4.28,42 6.18,43 4.242,44 5.005,45 5.191,46 4.268,47 4.219,48 6.265,49 4.185,50 4.974,51 5.185,52 4.083,53 4.164,54 6.025,55 4.104,56 0.104,57 0.947,58 10.542,59 5.04,60 9.956,61 5.972,62 0.48,63 1.523,64 21.489,65 8.267,66 32.391,67 9.977,68 0.671,69 1.787,70 28.631,71 10.645,72 54.24,73 13.143,74 0.5,75 1.832,76 30.834,77 11.92,78 48.487,79 15.412,80 0.655,81 1.797,82 30.411,83 11.711,84 65.711,85 14.816,86 0.71,87 1.836,88 33.735,89 11.975,90 63.678,91 15.347,92 0.928,93 1.691,94 30.924,95 11.175,96 94.252,97 14.229,98 0.608,99 1.585,100 31.993,101 11.771,102 66.099,103 14.911,104 10,105 60,106 0.259,107 0.64,108 0.801,109 0.858,110 0.874,111 0.874,112 3.642,113 0.85,114 -2.27,115 -2.31,116 -2.28,119 44.3,124 1,125 4,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,159 1,161 1,172 5,174 1,175 11,178 2,179 1,180 3,183 4,186 2,187 9,190 1,192 3,195 4,198 2,199 9,204 3,207 4,211 2,212 7,215 3,217 3,220 4,223 3,224 3,229 1,232 5,236 6,237 8,240 2,242 1,245 6,250 8,255 2,258 4,262 1,263 5,266 1,268 1,271 1,275 2661,276 25.447,277 25.447,278 25.447,279 25.447,280 25.447,281 22.41,282 31.931,283 15.041,284 26.116,285 20.798,286 20.798,287 20.798,288 20.798,289 20.798,290 16.061,291 43.754,292 7.217,293 21.842,294 4.294,295 1.887,296 0.869,297 0.504,298 0.406,299 0.406,300 4.36,305 1,306 1207,307 3.464,310 160.718,311 436.462,314 301.451,318 2.383,319 38.69,322 1,323 0.5,324 1,325 0.6,327 1,328 1,329 0.73,330 81,331 539,332 4.736,333 3.731,334 6.998,335 4.282,336 3.314,337 4.706,338 1.656,339 11.948,340 3.212,341 4.514,342 3.56,343 6.695,344 4.15,345 3.172,346 4.126,347 0.86,348 10.802,349 3.103,350 3.996,351 3.377,352 6.063,353 3.638,354 2.682,355 3.483,356 0.86,357 8.678,358 2.566,359 3.896,360 2.916,361 5.673,362 3.595,363 2.662,364 3.327,365 0.8,366 7.752,367 2.477,368 3.856,369 2.776,370 5.529,371 3.424,372 2.454,373 3.253,374 0.247,375 7.329,376 2.374,377 3.602,378 2.556,379 5.371,380 3.165,381 2.197,382 2.928,384 6.745,385 2.117,386 3.388,387 2.474,388 5.239,389 2.964,390 1.994,391 2.663,393 6.125,394 1.932,395 3.229,396 2.322,397 4.898,398 2.862,399 1.912,400 2.448,402 5.27,403 1.798,404 3.161,405 2.205,406 4.749,407 2.797,408 1.821,409 2.269,411 5.065,412 1.761,413 3.029,414 1.897,415 4.608,416 2.562,417 1.611,418 2.164,420 4.723,421 1.521,422 2.847,423 1.788,424 4.23,425 2.349,426 1.448,427 1.98,428 3.606,429 1.33,430 2.698,431 1.519,432 3.727,433 2.334,434 1.385,435 1.775,436 2.992,437 1.279,438 2.607,439 1.335,440 3.571,441 2.169,442 1.199,443 1.628,445 2.855,446 1.159,447 2.5,448 1.256,449 3.536,450 1.956,451 1,452 1.5,454 2.467,455 0.953,456 2.382,457 1.242,458 3.486,459 1.952,460 1,461 1.212,463 2.136,464 0.946,465 17.233,466 0.466,467 0.866,468 0.023,469 52.5,470 1.419,471 26.5,472 0.716,473 26,474 0.703,475 29.245,476 0.79,477 38.567,478 0.632,479 43.958,480 1.188,481 10.572,482 0.286,483 7.492,484 0.202,485 0.068,487 0.366,493 0.818,494 1.406,495 0.689,496 1.09,497 0.576,498 0.897,499 1.025,500 1.003,501 0.848,502 0.865,503 0.628,504 0.818,505 1.073,506 1.041,507 1.006,508 0.965,509 0.896,510 0.965,511 0.871,512 1.041,513 0.934,514 1.054,515 0.871,516 1.012,517 0.943,518 1.059,519 0.993,520 1.097,521 1.19,522 1.067,523 1.073,524 0.996,525 0.983,526 0.998,527 1.174,528 0.974,529 0.917,530 0.962,531 0.968,532 1.009,533 0.809,534 1.005,535 1.19,536 0.958,537 0.996,538 0.979,539 1.145,540 0.968,541 6.5,542 0.161,543 3.556,544 3.556,545 1.569,546 1.48,547 0.892,548 0.692,549 0.427,550 0.36,551 23384,552 64487,553 2.18,554 39.3,556 18,557 1,558 3,559 2,564 1.78,565 2.075,566 3.777,567 0.189,573 99.844,574 1.637,575 4.043,576 5.062,577 5.427,578 5.525,579 5.525,580 3.245,581 4.703,582 5.177,583 3.977,584 2648.8,585 9.106,586 43283.1,591 361.775,592 1.288,593 5.156,594 0.155,595 0.005,596 0.059,597 0.058,598 0.027,599 0.026,600 0.016,601 0.013,602 0.009,603 0.009,604 0.375,605 0.33,606 0.75,607 0.435,608 204.495,609 -0.071,610 -0.255,611 0.062,612 -0.102,613 -0.044,614 -0.011,615 -0.053,616 0.107,617 0.02,618 0.089,619 0.026,620 0.075,621 -0.071,622 0.001,623 -0.082,624 0.006,625 -0.015,626 -0.029,627 -0.042,628 -0.042,629 0.009,630 -0.056,631 0.02,632 -0.019,633 0.034,634 -0.061,635 -0.048,636 -0.105,637 -0.02,638 -0.099,639 -0.039,640 -0.017,641 0.008,642 -0.017,643 -0.072,644 0.005,645 0.218,646 0.017,647 0.017,648 -0.027,649 0.255,650 -0.043,651 -0.134,652 -0.054,653 0.025,654 0.044,655 -0.085,656 0.06,657 2.103,658 6.28,659 0.811,660 46.286,661 1.014,662 1.124,663 1.044,664 1.089,665 0.684,666 3.761,667 4.111,668 4.431,669 4.762,670 5.004,671 5.1,672 5.323,673 5.501,674 5.609,675 5.753,676 8.35,677 0.668,678 496.57,679 3.761,680 5.323,681 6.196,682 7.096,683 7.988,684 8.895,685 9.797,686 10.709,687 11.617,688 12.532,689 9.8,695 1,696 2,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 61,733 25,734 1,735 42,737 66,738 27,739 18,740 3,741 3,742 3,746 6,747 8,751 1,761 22,762 5,766 3,771 2,773 1,775 3,781 24,782 9,783 2,784 10,790 6,794 0.667,795 4,805 2,807 1,811 2,812 4,815 2,831 2,839 1,840 4,844 1,848 37,854 4,855 2,856 2,859 1,870 6.6,873 2,874 1,875 1,877 17.833,878 11.383,879 7.972,880 3.553,881 4.851,882 1.537,883 1.032,884 6.283,885 13.891,886 4.043,887 4.666,888 5.291,889 5.93,890 6.484,891 6.813,892 7.294,893 7.733,894 8.052,895 8.492,896 0.9,897 61,898 13.701,900 5.994,901 7.779,902 25.931,904 21.579,905 2.279,906 84.333,910 258.964,911 163.142,912 74.616,914 72.29,917 163.142,918 331.254,919 74.616,920 8.396,921 49.418,922 75.381,923 142.266,924 65.623,925 16.047,926 211.88,928 258.964,929 237.758,930 72.29,933 258.964,934 61.29,935 11,937 80.174,938 109.293,939 48.291,941 258.964,942 146.906,943 163.142,946 258.964,947 52.222,948 115.943,949 36.022,950 105.861,951 258.964,952 146.906,953 163.142,955 0.584,956 0.346,957 0.199,958 0.11,959 31,960 13,961 0.061,962 4,963 2,964 1.133,965 4.787,966 375.856,967 0.133,968 30,969 188.75,974 23.524,975 9.883,976 4.658,977 1.783,978 145.007,979 17.361,980 8.532,984 3.764,985 1.946,986 36.022,987 569.012,988 56,993 25.641,995 1.762,997 -0.467,999 61.872,1000 68.564,1001 0.276,1002 0.682,1003 0.853,1004 0.915,1005 0.932,1006 0.932,1007 5.296,1008 1.912,1009 6.184,1010 6.125,1011 4.796,1012 5.354,1013 2.274,1014 7.027,1015 4.709,1016 6.509,1017 1.821,1018 7.756,1019 5.27,1020 4.369,1021 5.182,1022 1.305,1023 7.966,1024 4.269,1025 7.827,1026 1.611,1027 9.429,1028 5.065,1029 6.412,1030 7.583,1031 2.627,1032 11.127,1033 6.254,1034 9.182,1035 1.448,1036 11.165,1037 4.723,1038 6.836,1039 8.281,1040 2.354,1041 12.953,1042 6.67,1043 10.573,1044 1.385,1045 12.943,1046 3.606,1047 8.337,1048 10.153,1049 3.315,1050 15.631,1051 8.124,1052 11.99,1053 1.199,1054 14.75,1055 2.992,1056 9.166,1057 11.279,1058 3.414,1059 17.831,1060 8.941,1061 13.429,1062 1,1063 16.58,1064 2.855,1065 10.453,1066 12.938,1067 4.177,1068 20.353,1069 10.191,1070 3.314,1071 1,1072 18.428,1073 2.467,1074 11.472,1075 14.277,1076 4.466,1077 22.706,1078 11.192,1079 3.172,1080 11.948,1081 20.29,1082 2.136,1083 12.679,1084 15.851,1085 5.117,1086 25.18,1087 12.369,1088 2.682,1089 10.802,1090 22.164,1091 4.706,1092 13.784,1093 17.293,1094 5.504,1095 27.596,1096 13.453,1097 2.662,1098 8.678,1099 24.047,1100 4.126,1101 14.965,1102 18.837,1103 6.093,1104 30.058,1105 14.606,1106 2.454,1107 7.752,1108 25.939,1109 3.483,1110 16.109,1111 20.328,1112 6.531,1113 32.5,1114 15.726,1115 2.197,1116 7.329,1117 27.837,1118 3.327,1119 17.284,1120 21.864,1121 7.084,1122 34.961,1123 16.874,1124 1.994,1125 6.745,1126 29.741,1127 3.253,1128 18.447,1129 23.379,1130 7.551,1131 37.415,1132 18.011,1133 21346,1134 35647,1135 28.838,1136 41.705,1137 64.354,1138 66.309,1139 65.017,1140 63.608,1141 63.606,1142 83.589,1143 8.846,1144 186.266,1145 60.753,1146 5.736,1147 5.731,1148 6.8,1149 5.385,1150 5.314,1151 7.706,1152 2.912,1153 19.346,1154 5.212,1155 14.036,1156 1.532,1157 1.579,1158 1.548,1159 1.514,1160 1.514,1161 1.99,1162 0.211,1163 4.435,1164 1.446,1165 4.155,1166 4.19,1167 4.128,1168 4.044,1169 7.432,1170 4.061,1171 3.984,1172 4.002,1173 3.953,1174 3.885,1175 7.427,1176 3.898,1177 3.867,1178 3.909,1179 3.812,1180 3.742,1181 5.031,1182 3.753,1183 3.745,1184 3.803,1185 3.634,1186 3.534,1187 4.908,1188 3.549,1189 3.545,1190 3.573,1191 3.499,1192 3.38,1193 4.846,1194 3.399,1195 3.415,1196 3.476,1197 3.323,1198 3.227,1199 4.616,1200 3.242,1201 3.325,1202 3.369,1203 3.248,1204 3.078,1205 4.437,1206 3.121,1207 3.111,1208 3.206,1209 2.957,1210 2.941,1211 4.299,1212 2.91,1213 0.113,1214 0.089,1215 0.167,1216 0.102,1217 0.079,1218 4.736,1219 0.112,1220 3.731,1221 0.039,1222 6.998,1223 0.284,1224 4.282,1225 0.076,1226 3.314,1227 4.706,1228 1.656,1229 11.948,1230 3.212,1231 1.919,1232 1.891,1233 2.004,1234 2.062,1235 1.247,1236 2.047,1237 1.882,1238 1.861,1239 1.967,1240 2.006,1241 1.086,1242 1.993,1243 1.816,1244 1.777,1245 1.927,1246 1.943,1247 1.024,1248 1.941,1249 1.652,1250 1.615,1251 1.831,1252 1.885,1253 0.944,1254 1.871,1255 1.628,1256 1.57,1257 1.79,1258 1.808,1259 0.886,1260 1.804,1261 1.364,1262 1.323,1263 1.555,1264 1.58,1265 0.825,1266 1.562,1267 1.253,1268 1.21,1269 1.513,1270 1.562,1271 0.615,1272 1.514,1273 1.153,1274 1.064,1275 1.379,1276 1.376,1277 0.326,1278 1.429,1279 4.443,1281 5.784,1282 3.045,1283 7.318,1284 5.533,1285 8.94,1286 7.719,1287 10.611,1289 1.932,1295 2.908,1296 5.446,1297 11.451,1300 2.274,1305 40.729,1306 99.844,1307 246.648,1308 308.755,1309 331.02,1310 337.02,1311 337.02,1312 61.022,1313 9.041,1314 114.52,1315 114.52,1316 34,1317 13.045,1318 4.7,1319 3.907,1320 51.173,1321 185,1322 207,1323 0.133,1324 244.098,1325 424.74,1326 587.359,1327 132812,1329 25.355,1330 0.685,1331 0.543,1332 25.355,1333 20.101,1334 18.064,1335 0.43,1336 0.283,1337 11.676,1338 17.197,1339 11.464,1340 9.424,1341 18.064,1342 11.897,1343 16.481,1344 0.275,1345 0.147,1346 16.481,1347 8.795,1348 14.252,1349 0.172,1350 0.076,1351 14.252,1352 6.348,1353 12.65,1354 0.109,1355 0.04,1356 12.65,1357 4.635,1358 10.462,1359 0.071,1360 0.021,1361 10.462,1362 3.14,1363 0.212,1364 114.358,1365 0.186,1366 33.894,1367 0.357,1368 204,1369 634.188,1370 227.338,1371 603.983,1372 833.49,1373 568,1374 245,1375 621.9,1376 269.534,1377 625.545,1378 923.11,1379 589,1380 6.561}
{0 CHEMBL1090388,1 1.562,2 13.395,3 2.532,4 6.41,5 142.9,6 7.568,7 0.364,8 4.352,9 4.456,10 3.946,11 3.877,12 5.406,13 3.875,14 4.954,15 5.115,16 4.374,17 4.334,18 5.96,19 4.318,20 5.256,21 5.449,22 4.448,23 4.495,24 6.282,25 4.444,26 5.302,27 5.519,28 4.382,29 4.481,30 6.394,31 4.409,32 5.235,33 5.442,34 4.31,35 4.449,36 6.271,37 4.366,38 5.268,39 5.498,40 4.279,41 4.461,42 6.183,43 4.36,44 5.274,45 5.518,46 4.265,47 4.41,48 6.195,49 4.317,50 5.209,51 5.448,52 4.196,53 4.311,54 6.184,55 4.229,56 0.068,57 1.009,58 13.796,59 6.385,60 11.257,61 7.99,62 0.363,63 1.751,64 28.434,65 10.913,66 27.883,67 14.19,68 0.7,69 2.179,70 41.842,71 15.101,72 62.583,73 19.989,74 0.877,75 2.234,76 45.465,77 15.789,78 111.225,79 21.274,80 0.777,81 2.088,82 41.841,83 15.405,84 86.493,85 20.557,86 0.663,87 2.186,88 43.719,89 15.856,90 69.372,91 22.061,92 0.676,93 2.149,94 45.326,95 15.568,96 66.305,97 21.904,98 0.748,99 1.957,100 43.23,101 14.392,102 71.891,103 19.828,104 17,105 66,106 0.244,107 0.602,108 0.778,109 0.833,110 0.838,111 0.838,112 3.668,113 0.911,114 -3.45,115 -3.43,116 -3.28,119 42.6,121 4,122 1,124 1,125 4,127 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,158 1,161 1,172 7,174 2,175 16,180 2,183 6,186 2,187 13,192 1,195 3,198 2,199 8,202 2,204 1,207 7,211 4,212 5,217 1,220 10,223 3,224 8,229 1,232 10,236 2,237 10,242 1,245 4,249 1,250 10,253 1,258 1,262 4,263 9,266 2,268 1,271 4,275 2872,276 25.98,277 25.98,278 25.98,279 25.98,280 25.98,281 23.664,282 34.413,283 14.744,284 26.556,285 21.716,286 21.716,287 21.716,288 21.716,289 21.716,290 18,291 46.735,292 6.999,293 22.684,294 4.525,295 2.232,296 1.099,297 0.746,298 0.717,299 0.717,300 4.393,305 1,306 1165,307 3.391,310 254.986,311 426.125,312 133.201,314 303.863,318 2.237,319 46.291,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 83,331 509,332 4.738,333 3.829,334 7,335 4.29,336 3.321,337 4.707,338 1.94,339 11.953,340 3.224,341 4.567,342 3.756,343 6.862,344 4.197,345 3.221,346 4.204,347 0.86,348 11.345,349 3.139,350 4.154,351 3.375,352 6.423,353 4.006,354 3.042,355 3.313,356 0.86,357 9.843,358 2.94,359 3.896,360 3.152,361 6.064,362 3.687,363 2.742,364 3.262,365 0.8,366 8.693,367 2.581,368 3.828,369 2.892,370 5.735,371 3.527,372 2.581,373 3.233,374 0.555,375 7.982,376 2.433,377 3.713,378 2.817,379 5.715,380 3.359,381 2.397,382 2.745,384 7.613,385 2.298,386 3.384,387 2.571,388 5.374,389 2.994,390 2.044,391 2.7,393 6.338,394 1.94,395 3.279,396 2.254,397 5.087,398 2.935,399 1.974,400 2.523,402 5.903,403 1.899,404 3.174,405 2.156,406 5.073,407 2.874,408 1.913,409 2.265,411 5.751,412 1.805,413 2.931,414 2.093,415 4.879,416 2.839,417 1.879,418 2.058,420 5.638,421 1.794,422 2.879,423 2.026,424 4.824,425 2.632,426 1.697,427 1.89,428 5.02,429 1.582,430 2.848,431 1.818,432 4.404,433 2.412,434 1.436,435 1.879,436 3.902,437 1.395,438 2.672,439 1.75,440 4.184,441 2.187,442 1.214,443 1.741,445 3.329,446 1.179,447 2.549,448 1.342,449 3.716,450 2.09,451 1.117,452 1.476,454 2.73,455 1.079,456 2.386,457 1.25,458 3.664,459 1.984,460 1,461 1.3,463 2.38,464 0.983,465 17.767,466 0.468,467 1.058,468 0.028,469 46.5,470 1.224,471 20,472 0.526,473 26.5,474 0.697,475 38.577,476 1.015,477 41.033,478 0.603,479 38.679,480 1.018,481 8.647,482 0.228,483 9.811,484 0.258,485 0.084,487 0.433,493 0.787,494 1.401,495 0.739,496 1.131,497 0.621,498 0.959,499 0.927,500 1.071,501 0.85,502 0.964,503 0.564,504 0.887,505 1.042,506 1.104,507 0.979,508 1.02,509 0.823,510 0.991,511 0.985,512 0.949,513 1.013,514 0.973,515 1.158,516 0.987,517 0.939,518 1.001,519 1.043,520 1.034,521 1.168,522 1.058,523 0.757,524 1.052,525 0.993,526 1.051,527 0.813,528 1.063,529 0.832,530 1,531 0.916,532 0.965,533 0.545,534 0.953,535 1.059,536 0.988,537 0.945,538 0.916,539 1.009,540 0.914,541 7.5,542 0.197,543 4.667,544 4.243,545 1.84,546 1.525,547 0.945,548 0.73,549 0.585,550 0.394,551 25407,552 62431,553 2.205,554 44.1,556 18,557 1,558 1,559 1,560 1,561 8,564 1.787,565 2.073,566 3.691,567 -0.374,573 106.25,574 1.562,575 3.856,576 4.988,577 5.341,578 5.37,579 5.37,580 3.114,581 4.827,582 5.219,583 3.924,584 2758.34,585 9.193,586 45164.4,591 413.947,592 1.378,593 5.186,594 0.17,595 0.005,596 0.071,597 0.062,598 0.03,599 0.026,600 0.017,601 0.013,602 0.011,603 0.008,604 0.414,605 0.5,606 0.75,607 0.48,608 210.338,609 -0.044,610 -0.223,611 0.073,612 -0.065,613 -0.027,614 0.008,615 -0.05,616 0.068,617 0.046,618 0.035,619 0.025,620 0.061,621 -0.043,622 -0.076,623 -0.02,624 -0.028,625 0.019,626 -0.021,627 0.004,628 0.059,629 -0.03,630 0.002,631 0.034,632 -0.013,633 0.002,634 -0.004,635 -0.078,636 -0.034,637 -0.06,638 -0.068,639 0.019,640 -0.051,641 -0.034,642 -0.059,643 -0.029,644 -0.058,645 0.007,646 -0.022,647 0.074,648 0.011,649 0.084,650 0.049,651 -0.044,652 -0.036,653 0.073,654 0.053,655 -0.033,656 0.076,657 2.003,658 6.294,659 0.842,660 44.978,661 1.008,662 1.124,663 2.219,664 4.923,665 0.665,666 3.807,667 4.205,668 4.564,669 4.905,670 5.136,671 5.273,672 5.464,673 5.631,674 5.771,675 5.93,676 8.131,677 0.64,678 514.63,679 3.807,680 5.398,681 6.297,682 7.216,683 8.126,684 9.047,685 9.961,686 10.883,687 11.799,688 12.722,689 5.9,695 1,696 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 68,733 19,734 1,735 44,737 74,738 29,739 13,740 3,741 3,742 3,746 7,747 10,755 6,756 1,758 6,761 17,762 12,763 1,766 3,771 2,773 1,775 3,781 30,782 8,783 1,784 9,790 4,794 0.571,795 5,801 1,805 1,807 1,811 3,812 4,813 1,815 2,827 1,831 2,839 1,840 4,844 1,848 38,853 1,854 8,856 2,858 3,859 2,870 7.4,872 1,873 2,874 1,875 1,877 18.333,878 12.5,879 7.972,880 4.365,881 4.081,882 1.428,883 1.011,884 5.894,885 13.611,886 4.025,887 4.642,888 5.27,889 5.877,890 6.391,891 6.759,892 7.219,893 7.672,894 8.013,895 8.446,896 0.889,897 68,898 14.237,900 6.492,901 7.728,902 27.465,904 24.363,905 2.228,906 84.667,910 341.362,911 126.175,912 24.933,914 114.973,917 126.175,918 456.335,919 24.933,920 8.396,921 21.685,922 56.429,923 149.327,924 42.015,925 11.771,926 317.82,928 341.362,929 151.108,930 114.973,933 247.193,934 198.142,935 11,937 34.347,938 85.256,939 31.505,941 341.362,942 139.906,943 126.175,946 341.362,947 52.302,948 82.02,950 131.759,951 341.362,952 139.906,953 126.175,955 0.601,956 0.369,957 0.209,958 0.11,959 37,960 16,961 0.041,962 3,963 4,964 1.219,965 4.808,966 408.017,967 0.25,968 31,969 189.421,974 24.045,975 9.315,976 4.11,977 1.746,978 138.007,979 10.57,980 4.597,984 2.322,985 1.943,986 42.683,987 607.443,988 55,993 26.29,995 1.734,997 0.11,999 68.531,1000 76.438,1001 0.257,1002 0.633,1003 0.819,1004 0.877,1005 0.882,1006 0.882,1007 5.328,1008 1.974,1009 6.312,1010 6.338,1011 4.89,1012 5.33,1013 2.452,1014 7.195,1015 4.808,1016 6.54,1017 1.913,1018 7.915,1019 5.903,1020 4.575,1021 5.239,1022 1.738,1023 8.199,1024 4.455,1025 7.868,1026 1.879,1027 9.615,1028 5.751,1029 6.558,1030 7.534,1031 3.095,1032 11.353,1033 6.404,1034 9.23,1035 1.697,1036 11.372,1037 5.638,1038 7.066,1039 8.314,1040 3.144,1041 13.201,1042 6.882,1043 10.629,1044 1.436,1045 13.166,1046 5.02,1047 8.528,1048 10.116,1049 4.162,1050 15.877,1051 8.313,1052 12.054,1053 1.214,1054 14.986,1055 3.902,1056 9.405,1057 11.303,1058 4.541,1059 18.079,1060 9.166,1061 13.499,1062 1.117,1063 16.826,1064 3.329,1065 10.674,1066 12.927,1067 5.388,1068 20.599,1069 10.406,1070 3.321,1071 1,1072 18.681,1073 2.73,1074 11.717,1075 14.302,1076 5.912,1077 22.948,1078 11.424,1079 3.221,1080 11.953,1081 20.549,1082 2.38,1083 12.916,1084 15.861,1085 6.671,1086 25.419,1087 12.596,1088 3.042,1089 11.345,1090 22.427,1091 4.707,1092 14.031,1093 17.322,1094 7.263,1095 27.831,1096 13.686,1097 2.742,1098 9.843,1099 24.313,1100 4.204,1101 15.208,1102 18.86,1103 7.976,1104 30.289,1105 14.837,1106 2.581,1107 8.693,1108 26.207,1109 3.313,1110 16.354,1111 20.36,1112 8.602,1113 32.727,1114 15.958,1115 2.397,1116 7.982,1117 28.106,1118 3.262,1119 17.527,1120 21.893,1121 9.292,1122 35.184,1123 17.104,1124 2.044,1125 7.613,1126 30.011,1127 3.233,1128 18.689,1129 23.412,1130 9.936,1131 37.635,1132 18.24,1133 22626,1134 35703,1135 30.054,1136 45.193,1137 68.952,1138 70.968,1139 70.521,1140 68.131,1141 68.049,1142 83.829,1143 10.032,1144 208.748,1145 65.235,1146 5.738,1147 5.829,1148 6.535,1149 5.397,1150 5.321,1151 7.707,1152 3.348,1153 19.358,1154 5.224,1155 16.68,1156 1.567,1157 1.613,1158 1.603,1159 1.548,1160 1.547,1161 1.905,1162 0.228,1163 4.744,1164 1.483,1165 4.159,1166 4.195,1167 4.13,1168 4.047,1169 7.429,1170 4.064,1171 3.97,1172 4.003,1173 3.942,1174 3.873,1175 7.425,1176 3.887,1177 3.958,1178 3.975,1179 3.868,1180 3.791,1181 6.468,1182 3.802,1183 3.807,1184 3.862,1185 3.693,1186 3.662,1187 5.026,1188 3.661,1189 3.507,1190 3.545,1191 3.442,1192 3.391,1193 4.799,1194 3.399,1195 3.428,1196 3.47,1197 3.349,1198 3.242,1199 4.667,1200 3.259,1201 3.319,1202 3.386,1203 3.206,1204 3.091,1205 4.396,1206 3.111,1207 3.111,1208 3.206,1209 2.959,1210 2.951,1211 4.29,1212 2.926,1213 0.108,1214 0.087,1215 0.159,1216 0.097,1217 0.075,1218 4.738,1219 0.107,1220 3.829,1221 0.044,1222 7,1223 0.272,1224 4.29,1225 0.073,1226 3.321,1227 4.707,1228 1.94,1229 11.953,1230 3.224,1231 1.94,1232 1.906,1233 2.068,1234 2.087,1235 1.423,1236 2.082,1237 1.86,1238 1.847,1239 1.945,1240 1.971,1241 1.255,1242 1.955,1243 1.795,1244 1.756,1245 1.914,1246 1.951,1247 1.187,1248 1.947,1249 1.652,1250 1.611,1251 1.86,1252 1.868,1253 1.089,1254 1.861,1255 1.633,1256 1.578,1257 1.836,1258 1.813,1259 1.047,1260 1.812,1261 1.604,1262 1.543,1263 1.793,1264 1.76,1265 0.885,1266 1.798,1267 1.374,1268 1.332,1269 1.559,1270 1.58,1271 0.825,1272 1.567,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.651,1278 1.429,1279 4.489,1281 5.866,1282 3.434,1283 7.433,1284 5.9,1285 9.084,1286 8.055,1287 10.781,1289 1.93,1294 10.166,1295 6.715,1297 11.737,1299 0.455,1300 4.351,1305 43.508,1306 106.25,1307 262.188,1308 339.193,1309 363.193,1310 365.193,1311 365.193,1312 73.789,1313 9.53,1314 101.04,1315 101.04,1316 39,1317 13.23,1318 4.322,1319 3.585,1320 48.679,1321 183,1322 171,1323 0.126,1324 255.079,1325 452.59,1326 614.153,1327 240366,1329 25.966,1330 0.683,1331 0.561,1332 25.966,1333 21.299,1334 18.458,1335 0.419,1336 0.304,1337 13.147,1338 17.661,1339 12.922,1340 10.517,1341 18.458,1342 13.355,1343 17.456,1344 0.264,1345 0.163,1346 17.456,1347 10.776,1348 15.842,1349 0.167,1350 0.088,1351 15.842,1352 8.366,1353 14.131,1354 0.105,1355 0.048,1356 14.131,1357 6.47,1358 11.355,1359 0.067,1360 0.027,1361 11.355,1362 4.581,1363 0.199,1364 116.374,1365 0.182,1366 34.384,1367 0.341,1368 220,1369 621.672,1370 243.524,1371 587.109,1372 813.18,1373 552,1374 271,1375 611.946,1376 297.494,1377 610.798,1378 913.96,1379 578,1380 7.284}
{0 CHEMBL1090434,1 1.56,2 12.25,3 3.179,4 10.109,5 122.617,6 8.163,7 0.611,8 4.076,9 4.179,10 3.727,11 3.658,12 5.266,13 3.659,14 4.567,15 4.71,16 4.108,17 4.052,18 5.756,19 4.042,20 4.764,21 4.917,22 4.17,23 4.167,24 5.974,25 4.139,26 4.828,27 5.005,28 4.118,29 4.177,30 5.977,31 4.135,32 4.802,33 4.965,34 4.137,35 4.169,36 5.991,37 4.124,38 4.864,39 5.051,40 4.113,41 4.15,42 6.005,43 4.101,44 4.808,45 4.996,46 4.071,47 4.058,48 6.102,49 4.014,50 4.718,51 4.917,52 3.848,53 3.951,54 5.858,55 3.887,56 0.056,57 0.75,58 8.613,59 4.323,60 7.406,61 5.053,62 0.293,63 1.213,64 16.4,65 7.14,66 22.839,67 8.642,68 0.342,69 1.395,70 21.319,71 9.224,72 41.966,73 11.048,74 0.366,75 1.481,76 24.262,77 9.786,78 50.112,79 11.724,80 0.374,81 1.439,82 22.547,83 9.759,84 40.885,85 11.959,86 0.4,87 1.507,88 25.91,89 10.481,90 48.519,91 13.042,92 0.627,93 1.398,94 25.32,95 9.802,96 79.549,97 12.311,98 0.367,99 1.257,100 23.721,101 9.293,102 51.696,103 11.303,104 20,105 52,106 0.255,107 0.613,108 0.771,109 0.866,110 0.875,111 0.875,112 3.503,113 0.843,114 -3.55,115 -3.52,116 -3.36,119 48.1,124 2,135 1,138 1,142 9,143 5,144 2,145 1,151 1,157 1,159 1,161 1,172 13,174 1,175 8,178 2,179 1,180 2,183 15,186 1,187 9,192 2,195 15,199 9,204 2,207 12,211 1,212 9,215 2,217 2,220 10,223 2,224 8,229 1,232 7,236 3,237 9,240 2,242 1,245 6,250 8,255 2,258 7,263 5,266 1,268 2,271 8,275 1706,276 21.886,277 21.886,278 21.886,279 21.886,280 21.886,281 18.888,282 18.314,283 12.738,284 22.248,285 17.726,286 17.726,287 17.726,288 17.726,289 17.726,290 13.017,291 21.392,292 6.002,293 18.247,294 4.14,295 1.943,296 0.977,297 0.39,298 0.337,299 0.337,300 4.211,304 1,305 1,306 863,307 3.391,310 130.106,311 253.516,314 247.611,318 1.828,319 29.625,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 69,331 392,332 4.747,333 3.731,334 6.998,335 4.292,336 3.314,337 4.725,338 1.656,339 11.948,340 3.245,341 4.515,342 3.538,343 6.695,344 4.153,345 3.171,346 4.126,347 0.86,348 10.802,349 3.113,350 4.057,351 3.309,352 6.063,353 3.654,354 2.674,355 3.641,356 0.247,357 8.678,358 2.62,359 3.916,360 2.774,361 5.665,362 3.538,363 2.571,364 3.335,366 7.638,367 2.478,368 3.651,369 2.693,370 5.43,371 3.225,372 2.252,373 2.955,375 6.941,376 2.181,377 3.443,378 2.493,379 5.301,380 3.001,381 2.024,382 2.838,384 6.16,385 1.966,386 3.378,387 2.214,388 4.899,389 2.91,390 1.927,391 2.673,393 5.282,394 1.892,395 3.235,396 1.996,397 4.78,398 2.817,399 1.841,400 2.45,402 5.206,403 1.781,404 3.031,405 1.833,406 4.68,407 2.562,408 1.61,409 2.175,411 4.759,412 1.521,413 2.871,414 1.488,415 4.23,416 2.416,417 1.448,418 2.02,420 3.606,421 1.399,422 2.671,423 1.334,424 3.727,425 2.175,426 1.199,427 1.748,428 2.855,429 1.168,430 2.5,431 1.205,432 3.536,433 2,434 1,435 1.5,436 2.467,437 1,438 2.449,439 1.101,440 3.487,441 1.94,442 0.966,443 1.385,445 2.136,446 0.937,447 2.323,448 1,449 3.247,450 1.797,451 0.798,452 1.146,454 1.986,455 0.787,456 1.611,457 0.987,458 3.047,459 1.348,460 0.416,461 0.456,463 0.719,464 0.386,465 15.1,466 0.472,467 0.798,468 0.025,469 46.75,470 1.461,471 25.5,472 0.797,473 21.25,474 0.664,475 22.965,476 0.718,477 32.3,478 0.621,479 38.426,480 1.201,481 9.545,482 0.298,483 6.001,484 0.188,485 0.11,487 0.391,493 0.761,494 1.205,495 0.695,496 0.961,497 0.577,498 0.835,499 0.751,500 0.832,501 0.748,502 0.811,503 0.565,504 0.773,505 0.977,506 1.066,507 0.905,508 1.003,509 0.89,510 0.953,511 1.186,512 0.952,513 1.031,514 0.939,515 1.132,516 0.949,517 0.895,518 1.083,519 0.981,520 1.1,521 0.979,522 1.071,523 1.007,524 1.068,525 0.969,526 1.065,527 1.075,528 1.025,529 0.896,530 0.972,531 0.911,532 0.986,533 0.719,534 0.961,535 1.299,536 0.997,537 1.083,538 1.029,539 1.202,540 1.029,541 6,542 0.126,543 3.556,544 3.243,545 1.418,546 1.362,547 0.833,548 0.72,549 0.327,550 0.249,551 14060,552 39235,553 2.135,554 38.5,556 16,557 1,558 1,559 2,564 1.747,565 2,566 3.542,567 0.177,569 1,573 81.133,574 1.56,575 3.757,576 4.724,577 5.311,578 5.364,579 5.364,580 3.063,581 4.601,582 4.968,583 3.703,584 1836.73,585 8.706,586 26090.4,588 1,591 296.423,592 1.406,593 4.933,594 0.167,595 0.005,596 0.068,597 0.06,598 0.028,599 0.027,600 0.017,601 0.016,602 0.009,603 0.008,604 0.404,605 0.5,606 0.88,607 1,608 166.762,609 -0.059,610 -0.119,611 0.046,612 -0.026,613 -0.074,614 0.02,615 0.094,616 0.248,617 0.088,618 0.126,619 0.054,620 0.113,621 -0.004,622 -0.068,623 -0.013,624 -0.032,625 0.013,626 -0.023,627 -0.18,628 0.046,629 -0.095,630 0.033,631 -0.113,632 -0.002,633 0.054,634 -0.096,635 -0.073,636 -0.124,637 -0.033,638 -0.125,639 0.007,640 -0.1,641 0.002,642 -0.081,643 -0.071,644 -0.05,645 0.266,646 -0.01,647 0.094,648 -0.002,649 0.3,650 0.012,651 -0.158,652 -0.069,653 -0.065,654 -0.027,655 -0.061,656 -0.03,657 2.024,658 6.062,659 0.75,660 32.121,661 1.009,662 1.114,663 2.32,664 5.383,665 0.701,666 3.611,667 3.97,668 4.304,669 4.635,670 4.89,671 5.011,672 5.242,673 5.416,674 5.501,675 5.617,676 6.984,677 0.682,678 424.49,679 3.611,680 5.176,681 6.057,682 6.963,683 7.865,684 8.78,685 9.691,686 10.611,687 11.527,688 12.449,689 7.7,696 2,697 1,699 1,703 2,704 11,705 1,709 6,710 1,711 22,716 1,729 1,731 52,733 25,734 2,735 36,737 56,738 25,739 19,740 4,741 8,742 3,746 5,747 7,751 1,761 23,762 2,766 3,771 2,773 1,775 3,778 1,781 20,782 6,783 2,784 7,790 4,794 0.6,795 3,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 2,848 32,855 2,856 1,870 5.8,873 2,875 1,877 16,878 10.15,879 6.972,880 2.975,881 5.05,882 1.593,883 1.037,884 5.097,885 13.56,886 3.932,887 4.588,888 5.25,889 5.911,890 6.507,891 6.895,892 7.429,893 7.904,894 8.271,895 8.715,896 1,897 54,898 11.814,900 5.142,901 7.807,902 22.26,904 18.411,905 2.307,906 73.833,909 1,910 211.88,911 169.334,912 54.706,914 61.29,917 169.334,918 273.17,919 54.706,920 16.793,921 36.022,922 103.81,923 90.939,924 45.262,925 16.047,926 188.338,928 211.88,929 224.04,930 61.29,933 211.88,934 61.29,937 48.683,938 143.851,939 31.505,941 211.88,942 115.996,943 169.334,946 211.88,947 39.683,948 131.549,949 36.022,950 78.075,951 211.88,952 115.996,953 169.334,955 0.585,956 0.353,957 0.197,958 0.111,959 27,960 12,961 0.054,962 3,963 2,964 1.167,965 4.247,966 311.168,967 0.167,968 24,969 156,974 20.191,975 8.079,976 3.635,977 1.765,978 114.097,979 20.756,980 4.53,984 4.328,985 1.937,986 36.022,987 497.209,988 50,993 24.648,995 1.755,997 -0.362,999 52.458,1000 57.943,1001 0.274,1002 0.659,1003 0.829,1004 0.932,1005 0.941,1006 0.941,1007 5.179,1008 1.841,1009 6.057,1010 5.282,1011 4.654,1012 5.276,1013 1.985,1014 6.921,1015 4.601,1016 6.416,1017 1.61,1018 7.645,1019 5.206,1020 4.29,1021 5.147,1022 1.195,1023 7.908,1024 4.223,1025 7.746,1026 1.448,1027 9.335,1028 4.759,1029 6.293,1030 7.552,1031 2.508,1032 11.066,1033 6.195,1034 9.116,1035 1.199,1036 11.085,1037 3.606,1038 6.77,1039 8.278,1040 2.324,1041 12.92,1042 6.658,1043 10.519,1044 1,1045 12.874,1046 2.855,1047 8.246,1048 10.153,1049 3.275,1050 15.6,1051 8.11,1052 11.947,1053 0.966,1054 14.692,1055 2.467,1056 9.11,1057 11.296,1058 3.407,1059 17.814,1060 8.958,1061 13.397,1062 0.798,1063 16.53,1064 2.136,1065 10.388,1066 12.959,1067 4.165,1068 20.339,1069 10.215,1070 3.314,1071 0.416,1072 18.386,1073 1.986,1074 11.428,1075 14.309,1076 4.464,1077 22.698,1078 11.238,1079 3.171,1080 11.948,1081 20.255,1082 0.719,1083 12.634,1084 15.886,1085 5.114,1086 25.174,1087 12.424,1088 2.674,1089 10.802,1090 22.134,1091 4.725,1092 13.751,1093 17.335,1094 5.504,1095 27.592,1096 13.523,1097 2.571,1098 8.678,1099 24.023,1100 4.126,1101 14.934,1102 18.883,1103 6.092,1104 30.055,1105 14.686,1106 2.252,1107 7.638,1108 25.919,1109 3.641,1110 16.085,1111 20.379,1112 6.531,1113 32.498,1114 15.818,1115 2.024,1116 6.941,1117 27.821,1118 3.335,1119 17.263,1120 21.918,1121 7.084,1122 34.96,1123 16.976,1124 1.927,1125 6.16,1126 29.728,1127 2.955,1128 18.43,1129 23.437,1130 7.551,1131 37.415,1132 18.124,1133 13220,1134 22236,1135 24.274,1136 36.477,1137 55.295,1138 57.306,1139 56.902,1140 54.606,1141 54.612,1142 74.596,1143 5.526,1144 162.769,1145 53.127,1146 5.591,1147 5.731,1148 6.8,1149 5.364,1150 5.314,1151 7.725,1152 2.912,1153 19.346,1154 5.245,1155 15.122,1156 1.536,1157 1.592,1158 1.581,1159 1.517,1160 1.517,1161 2.072,1162 0.154,1163 4.521,1164 1.476,1165 4.164,1166 4.195,1167 4.138,1168 4.075,1169 7.432,1170 4.086,1171 3.983,1172 3.997,1173 3.952,1174 3.894,1175 7.427,1176 3.904,1177 3.844,1178 3.88,1179 3.776,1180 3.768,1181 5.039,1182 3.767,1183 3.605,1184 3.655,1185 3.55,1186 3.405,1187 4.85,1188 3.425,1189 3.455,1190 3.506,1191 3.369,1192 3.266,1193 4.721,1194 3.287,1195 3.383,1196 3.443,1197 3.281,1198 3.185,1199 4.44,1200 3.205,1201 3.09,1202 3.163,1203 2.968,1204 2.908,1205 4.303,1206 2.912,1207 3.016,1208 3.074,1209 2.863,1210 2.801,1211 4.179,1212 2.803,1213 0.132,1214 0.104,1215 0.194,1216 0.119,1217 0.092,1218 4.747,1219 0.131,1220 3.731,1221 0.046,1222 6.998,1223 0.332,1224 4.292,1225 0.09,1226 3.314,1227 4.725,1228 1.656,1229 11.948,1230 3.245,1231 1.994,1232 1.973,1233 2.074,1234 2.069,1235 1.211,1236 2.07,1237 1.88,1238 1.861,1239 1.962,1240 1.985,1241 1.084,1242 1.977,1243 1.751,1244 1.722,1245 1.86,1246 1.892,1247 0.946,1248 1.886,1249 1.652,1250 1.609,1251 1.792,1252 1.81,1253 0.885,1254 1.808,1255 1.426,1256 1.355,1257 1.696,1258 1.741,1259 0.688,1260 1.725,1261 1.367,1262 1.322,1263 1.556,1264 1.57,1265 0.614,1266 1.56,1267 1.073,1268 1.036,1269 1.246,1270 1.33,1271 0.309,1272 1.316,1273 1.013,1274 0.946,1275 1.237,1276 1.237,1277 0.221,1278 1.242,1279 4.29,1281 5.638,1282 3.045,1283 7.182,1284 5.533,1285 8.814,1286 7.719,1287 10.498,1289 3.454,1296 5.157,1297 5.867,1305 35.444,1306 81.133,1307 195.364,1308 245.629,1309 276.158,1310 278.913,1311 278.913,1312 52.296,1313 8.51,1314 89.16,1315 89.16,1316 28,1317 12.958,1318 4.7,1319 3.907,1320 45.656,1321 134,1322 156,1323 0.168,1324 214.722,1325 371.71,1326 515.681,1327 64572,1329 22.242,1330 0.695,1331 0.548,1332 22.242,1333 17.547,1334 15.546,1335 0.432,1336 0.281,1337 9.969,1338 14.979,1339 9.702,1340 8.074,1341 15.546,1342 10.114,1343 14.15,1344 0.272,1345 0.144,1346 14.15,1347 7.473,1348 12.488,1349 0.171,1350 0.074,1351 12.488,1352 5.411,1353 10.728,1354 0.105,1355 0.038,1356 10.728,1357 3.906,1358 9.04,1359 0.068,1360 0.02,1361 9.04,1362 2.699,1363 0.262,1364 97.327,1365 0.203,1366 29.627,1367 0.466,1368 176,1369 523.163,1370 191.991,1371 508.171,1372 705.37,1373 476,1374 213,1375 532.489,1376 229.575,1377 540.584,1378 797.4,1379 509,1380 6.633}
{0 CHEMBL1090478,1 1.538,2 10.2,3 3.369,4 11.349,5 115.741,6 7.565,7 0.485,8 4.102,9 4.2,10 3.674,11 3.601,12 5.269,13 3.603,14 4.623,15 4.787,16 4.063,17 3.991,18 5.725,19 3.992,20 4.806,21 4.948,22 4.163,23 4.158,24 5.987,25 4.135,26 4.995,27 5.192,28 4.158,29 4.222,30 6.195,31 4.149,32 4.982,33 5.201,34 4.057,35 4.158,36 6.004,37 4.086,38 4.932,39 5.137,40 4.088,41 4.158,42 6.035,43 4.094,44 4.934,45 5.115,46 4.008,47 4.154,48 6.012,49 4.08,50 4.952,51 5.166,52 3.966,53 4.097,54 6.031,55 4.004,56 0.094,57 0.742,58 10.962,59 5.073,60 13.53,61 6.133,62 0.301,63 1.202,64 21.049,65 7.848,66 23.706,67 10.023,68 0.463,69 1.407,70 24.819,71 9.963,72 41.024,73 12.222,74 0.693,75 1.615,76 32.381,77 12.593,78 91.577,79 16.923,80 0.581,81 1.574,82 33.251,83 11.899,84 59.284,85 16.016,86 0.532,87 1.522,88 30.776,89 11.557,90 63.147,91 15.452,92 0.607,93 1.504,94 30.405,95 11.407,96 59.052,97 14.506,98 0.643,99 1.483,100 32.259,101 11.982,102 62.599,103 16.076,104 56,105 49,106 0.254,107 0.616,108 0.788,109 0.842,110 0.854,111 0.854,112 3.441,113 0.874,114 -3.23,115 -3.22,116 -3.09,119 42.6,120 1,124 3,125 2,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 10,180 4,183 8,186 2,187 7,195 7,199 6,202 3,203 1,204 2,207 6,211 2,212 8,217 1,220 5,223 1,224 8,227 1,229 2,232 4,236 1,237 3,242 2,245 4,249 3,250 3,253 1,255 3,258 4,262 1,263 2,266 1,268 3,271 2,275 1508,276 19.817,277 19.817,278 19.817,279 19.817,280 19.817,281 17.549,282 23.446,283 11.253,284 20.374,285 16.189,286 16.189,287 16.189,288 16.189,289 16.189,290 12.526,291 26.912,292 5.268,293 17.004,294 4.216,295 2.021,296 0.975,297 0.649,298 0.574,299 0.574,300 4.13,304 1,305 1,306 653,307 3.606,310 119.756,311 154.918,314 230.767,318 1.427,319 36.199,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 66,331 306,332 4.772,333 3.761,334 7.021,335 4.323,336 3.352,337 4.739,338 0.86,339 11.993,340 3.259,341 4.587,342 3.401,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.922,352 5.825,353 3.479,354 2.512,355 3.395,356 0.8,357 7.911,358 2.425,359 3.83,360 2.803,361 5.695,362 3.419,363 2.474,364 3.281,366 7.508,367 2.334,368 3.545,369 2.606,370 5.569,371 3.197,372 2.253,373 2.899,375 6.929,376 2.131,377 3.352,378 2.555,379 5.166,380 3.044,381 2.105,382 2.616,384 6.035,385 1.961,386 3.288,387 2.298,388 5.14,389 2.932,390 1.997,391 2.539,393 6.012,394 1.855,395 3.2,396 2.209,397 4.957,398 2.839,399 1.888,400 2.421,402 5.501,403 1.785,404 3.148,405 2.123,406 4.644,407 2.752,408 1.789,409 2.181,411 5.094,412 1.709,413 2.732,414 1.845,415 4.26,416 2.223,417 1.243,418 1.675,420 3.436,421 1.2,422 2.419,423 1.229,424 3.837,425 2.045,426 1.072,427 1.377,428 2.723,429 1.038,430 1.767,431 1.035,432 3.463,433 1.615,434 0.655,435 0.713,436 1.628,437 0.625,438 1.673,439 0.862,440 2.992,441 1.396,442 0.52,443 0.578,445 0.889,446 0.45,447 1.416,448 0.674,449 2.85,450 1.029,451 0.082,452 0.097,454 0.182,455 0.077,456 1.197,457 0.299,458 2.723,459 0.819,460 -0.17,461 -0.225,463 -0.431,464 -0.164,465 13.967,466 0.466,467 0.963,468 0.032,469 38.75,470 1.292,471 19,472 0.633,473 19.75,474 0.658,475 26.176,476 0.873,477 32.833,478 0.608,479 32.947,480 1.098,481 7.974,482 0.266,483 6.321,484 0.211,485 0.215,487 0.451,493 0.895,494 1.336,495 0.784,496 1.115,497 0.824,498 0.958,499 1.003,500 0.894,501 0.727,502 0.753,503 0.585,504 0.669,505 1.048,506 1.034,507 1.005,508 1.044,509 0.928,510 1.011,511 0.55,512 1.136,513 0.857,514 1.126,515 0.541,516 1.069,517 0.885,518 0.967,519 0.918,520 0.952,521 0.888,522 0.941,523 0.77,524 1.037,525 0.863,526 1,527 0.581,528 0.958,529 1.118,530 1.098,531 1.192,532 1.125,533 1.072,534 1.165,535 0.772,536 1.067,537 0.968,538 1.115,539 0.851,540 1.097,541 7,542 0.2,543 3.778,544 3.84,545 1.908,546 1.526,547 0.966,548 0.591,549 0.554,550 0.333,551 10481,552 29230,553 2.028,554 44.4,556 19,559 2,560 3,564 1.735,565 1.837,566 3.319,567 0.21,568 1,569 1,573 83.073,574 1.538,575 3.734,576 4.78,577 5.106,578 5.18,579 5.18,580 2.715,581 4.548,582 4.876,583 3.482,584 1514.64,585 8.545,586 20414.5,588 1,590 1,591 310.764,592 1.541,593 4.805,594 0.212,595 0.008,596 0.077,597 0.074,598 0.039,599 0.034,600 0.021,601 0.014,602 0.014,603 0.01,604 0.503,605 0.33,606 1,607 1.241,608 151.477,609 -0.083,610 -0.175,611 0.038,612 -0.046,613 -0.118,614 0.007,615 -0.111,616 0.237,617 0.184,618 0.239,619 0.044,620 0.281,621 -0.07,622 0.068,623 -0.105,624 -0.028,625 -0.038,626 -0.061,627 0.255,628 -0.135,629 0.079,630 -0.113,631 0.292,632 -0.063,633 -0.012,634 0.03,635 0.052,636 0.029,637 -0.047,638 0.05,639 0.059,640 -0.028,641 0.084,643 0.148,644 0.039,645 -0.123,646 -0.082,647 -0.244,648 -0.126,649 -0.139,650 -0.195,651 0.117,652 -0.106,653 0.003,654 -0.119,655 0.02,656 -0.094,657 2.084,658 5.852,659 0.6,660 27.951,661 1.01,662 1.122,663 2.004,664 4.016,665 0.66,666 3.526,667 3.912,668 4.234,669 4.575,670 4.82,671 5.004,672 5.159,673 5.323,674 5.389,675 5.472,676 6.234,677 0.637,678 408.49,679 3.526,680 5.106,681 5.989,682 6.909,683 7.816,684 8.745,685 9.663,686 10.596,687 11.519,688 12.454,689 3.7,692 1,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 54,733 18,734 2,735 33,737 57,738 23,739 14,740 7,741 5,742 3,746 4,747 6,752 1,761 17,762 6,766 2,771 1,773 1,775 2,778 1,781 24,782 6,783 2,784 7,790 2,794 0.5,795 5,807 1,811 2,812 2,815 2,831 2,836 1,840 2,844 4,848 30,853 2,854 2,856 2,859 1,870 9.3,872 2,873 1,875 2,877 16.333,878 11.05,879 6.5,880 3.015,881 3.911,882 1.489,883 0.949,884 5.425,885 11.906,886 3.784,887 4.463,888 5.125,889 5.793,890 6.364,891 6.8,892 7.233,893 7.686,894 7.985,895 8.384,896 0.857,897 52,898 11.133,900 4.841,901 7.878,902 20.902,904 17.187,905 2.378,906 71.333,908 1,909 1,910 258.964,911 132.279,912 5.023,914 132.511,917 132.279,918 391.476,919 5.023,920 36.501,921 4.211,922 56.857,923 120.889,924 46.454,925 4.901,926 258.964,928 258.964,929 137.302,930 132.511,933 258.964,934 132.511,937 18.06,938 104.522,939 14.72,941 258.964,942 137.535,943 132.279,946 258.964,947 38.92,948 98.382,950 132.511,951 258.964,952 137.535,953 132.279,955 0.595,956 0.351,957 0.196,958 0.111,959 25,960 13,961 0.088,962 5,963 2,964 1.222,965 3.918,966 283.405,967 0.222,968 18,969 145.207,974 20.629,975 7.89,976 3.669,977 1.975,978 135.636,979 8.32,984 2.304,985 2.205,986 85.367,987 528.778,988 43,993 12.852,995 1.697,997 -0.317,999 54.56,1000 60.611,1001 0.267,1002 0.649,1003 0.831,1004 0.887,1005 0.9,1006 0.9,1007 5.063,1008 1.888,1009 6.019,1010 6.012,1011 4.595,1012 5.15,1013 1.593,1014 6.909,1015 4.51,1016 6.317,1017 1.789,1018 7.631,1019 5.501,1020 4.369,1021 5.19,1022 0.325,1023 7.951,1024 4.245,1025 7.667,1026 1.243,1027 9.341,1028 5.094,1029 6.267,1030 7.463,1031 1.294,1032 11.105,1033 6.12,1034 9.054,1035 1.072,1036 11.106,1037 3.436,1038 6.825,1039 8.305,1040 0.268,1041 12.986,1042 6.649,1043 10.473,1044 0.655,1045 12.908,1046 2.723,1047 8.254,1048 10.112,1049 1.061,1050 15.686,1051 8.059,1052 11.916,1053 0.52,1054 14.738,1055 1.628,1056 9.171,1057 11.331,1058 0.188,1059 17.924,1060 8.953,1061 13.38,1062 0.082,1063 16.587,1064 0.889,1065 10.437,1066 12.963,1067 0.861,1068 20.47,1069 10.199,1070 3.352,1071 -0.17,1072 18.454,1073 0.182,1074 11.515,1075 14.358,1076 0.125,1077 22.851,1078 11.253,1079 3.237,1080 11.993,1081 20.334,1082 -0.431,1083 12.727,1084 15.926,1085 0.69,1086 25.344,1087 12.443,1088 2.512,1089 11.383,1090 22.225,1091 4.739,1092 13.872,1093 17.4,1094 0.082,1095 27.778,1096 13.564,1097 2.474,1098 7.911,1099 24.125,1100 4.248,1101 15.069,1102 18.946,1103 0.544,1104 30.254,1105 14.737,1106 2.253,1107 7.508,1108 26.033,1109 3.395,1110 16.243,1111 20.456,1112 0.054,1113 32.709,1114 15.886,1115 2.105,1116 6.929,1117 27.947,1118 3.281,1119 17.437,1120 21.996,1121 0.424,1122 35.179,1123 17.055,1124 1.997,1125 6.035,1126 29.866,1127 2.899,1128 18.624,1129 23.523,1130 0.035,1131 37.643,1132 18.215,1133 10232,1134 17306,1135 21.213,1136 35.659,1137 50.824,1138 52.298,1139 53.665,1140 50.368,1141 50.357,1142 65.522,1143 5.04,1144 154.453,1145 48.01,1146 5.607,1147 5.761,1148 6.567,1149 5.39,1150 5.352,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 18.933,1156 1.54,1157 1.585,1158 1.626,1159 1.526,1160 1.526,1161 1.986,1162 0.153,1163 4.68,1164 1.455,1165 4.172,1166 4.199,1167 4.143,1168 4.086,1169 7.428,1170 4.096,1171 3.975,1172 3.975,1173 3.952,1174 3.878,1175 6.492,1176 3.894,1177 3.665,1178 3.744,1179 3.541,1180 3.478,1181 6.445,1182 3.485,1183 3.56,1184 3.592,1185 3.482,1186 3.42,1187 4.97,1188 3.427,1189 3.431,1190 3.459,1191 3.348,1192 3.241,1193 4.755,1194 3.259,1195 3.192,1196 3.272,1197 3.012,1198 2.973,1199 4.581,1200 2.97,1201 3.149,1202 3.236,1203 2.958,1204 2.917,1205 4.31,1206 2.912,1207 3.013,1208 3.045,1209 2.899,1210 2.817,1211 4.139,1212 2.812,1213 0.145,1214 0.114,1215 0.213,1216 0.131,1217 0.102,1218 4.772,1219 0.144,1220 3.761,1221 0.026,1222 7.021,1223 0.363,1224 4.323,1225 0.099,1226 3.352,1227 4.739,1228 0.86,1229 11.993,1230 3.259,1231 1.941,1232 1.924,1233 2.021,1234 2.043,1235 1.224,1236 2.037,1237 1.851,1238 1.845,1239 1.926,1240 1.953,1241 1.136,1242 1.94,1243 1.754,1244 1.708,1245 1.908,1246 1.925,1247 1.035,1248 1.925,1249 1.566,1250 1.503,1251 1.792,1252 1.784,1253 0.917,1254 1.789,1255 1.378,1256 1.337,1257 1.596,1258 1.607,1259 0.696,1260 1.594,1261 1.214,1262 1.157,1263 1.528,1264 1.493,1265 0.597,1266 1.502,1267 1.134,1268 1.037,1269 1.513,1270 1.392,1271 0.562,1272 1.443,1273 0.974,1274 0.93,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.205,1281 5.572,1282 3.045,1283 7.125,1284 5.587,1285 8.77,1286 7.818,1287 10.468,1289 7.67,1294 19.772,1295 1.648,1297 11.094,1300 2.114,1305 34.412,1306 83.073,1307 201.645,1308 258.135,1309 275.744,1310 279.744,1311 279.744,1312 63.945,1313 7.995,1314 88.07,1315 88.07,1316 22,1317 12.955,1318 4.248,1319 3.459,1320 46.727,1321 109,1322 112,1323 0.208,1324 209.044,1325 366.51,1326 501.827,1327 31356,1329 21.577,1330 0.719,1331 0.58,1332 21.577,1333 17.392,1334 14.295,1335 0.433,1336 0.291,1337 9.436,1338 13.601,1339 9.075,1340 7.565,1341 14.295,1342 9.616,1343 13.555,1344 0.277,1345 0.155,1346 13.555,1347 7.615,1348 11.381,1349 0.167,1350 0.079,1351 11.381,1352 5.362,1353 10.01,1354 0.104,1355 0.04,1356 10.01,1357 3.794,1358 7.906,1359 0.064,1360 0.021,1361 7.906,1362 2.602,1363 0.318,1364 90.752,1365 0.217,1366 27.728,1367 0.599,1368 164,1369 508.796,1370 181.56,1371 482.452,1372 658.2,1373 450,1374 199,1375 487.445,1376 217.589,1377 494.113,1378 727.75,1379 461,1380 8.046}
{0 CHEMBL1090505,1 1.539,2 14.459,3 2.849,4 8.118,5 142.949,6 7.252,7 0.39,8 4.358,9 4.465,10 3.892,11 3.833,12 5.456,13 3.829,14 4.917,15 5.093,16 4.268,17 4.243,18 5.947,19 4.226,20 5.169,21 5.363,22 4.364,23 4.428,24 6.205,25 4.377,26 5.295,27 5.508,28 4.342,29 4.495,30 6.379,31 4.394,32 5.34,33 5.596,34 4.258,35 4.438,36 6.235,37 4.33,38 5.269,39 5.509,40 4.291,41 4.404,42 6.27,43 4.322,44 5.219,45 5.422,46 4.273,47 4.42,48 6.223,49 4.342,50 5.241,51 5.455,52 4.269,53 4.43,54 6.24,55 4.331,56 0.108,57 0.99,58 15.394,59 6.594,60 16.843,61 8.448,62 0.374,63 1.634,64 29.56,65 10.307,66 32.387,67 14.079,68 0.686,69 1.994,70 39.307,71 13.809,72 56.373,73 18.727,74 0.827,75 2.167,76 45.023,77 16.917,78 105.34,79 23.638,80 0.72,81 2.174,82 49.45,83 16.631,84 73.552,85 24.087,86 0.796,87 2.057,88 45.742,89 15.206,90 88.747,91 21.609,92 0.798,93 1.986,94 42.323,95 14.903,96 75.358,97 20.186,98 0.676,99 2.047,100 42.75,101 15.768,102 65.469,103 21.962,104 43,105 59,106 0.241,107 0.566,108 0.74,109 0.819,110 0.853,111 0.871,112 3.642,113 0.923,114 -2.38,115 -2.41,116 -2.37,119 40,120 1,121 1,124 1,125 8,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 11,180 5,183 8,186 3,187 7,195 7,199 6,202 4,203 1,204 2,207 6,211 2,212 9,217 1,220 5,223 2,224 8,227 1,229 2,232 4,236 1,237 3,240 1,242 2,245 4,249 3,250 8,253 1,255 3,258 4,262 1,263 5,266 1,268 3,271 2,275 2875,276 25.118,277 25.118,278 25.118,279 25.118,280 25.118,281 22.85,282 31.695,283 14.619,284 25.833,285 20.121,286 20.121,287 20.121,288 20.121,289 20.121,290 16.458,291 39.134,292 6.833,293 21.202,294 4.591,295 2.508,296 1.4,297 0.896,298 0.679,299 0.564,300 4.346,305 1,306 1163,307 3.742,310 158.606,311 322.916,314 304.309,318 2.202,319 45.066,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 81.5,331 535,332 4.772,333 3.761,334 7.021,335 4.323,336 3.352,337 4.739,338 0.86,339 11.994,340 3.259,341 4.587,342 3.401,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.982,352 5.826,353 3.583,354 2.66,355 3.395,356 0.8,357 7.917,358 2.452,359 3.832,360 2.922,361 5.697,362 3.479,363 2.512,364 3.281,365 0.8,366 7.544,367 2.424,368 3.659,369 2.799,370 5.57,371 3.41,372 2.465,373 2.901,375 7.351,376 2.326,377 3.535,378 2.599,379 5.485,380 3.182,381 2.244,382 2.66,384 6.925,385 2.114,386 3.348,387 2.562,388 5.169,389 3.072,390 2.127,391 2.613,393 6.364,394 1.99,395 3.281,396 2.299,397 5.14,398 2.937,399 2.003,400 2.53,402 6.03,403 1.859,404 3.202,405 2.22,406 5.12,407 2.849,408 1.896,409 2.421,411 5.984,412 1.798,413 3.177,414 2.127,415 4.957,416 2.754,417 1.79,418 2.204,420 5.499,421 1.711,422 2.732,423 1.849,424 4.26,425 2.382,426 1.431,427 1.676,428 3.436,429 1.354,430 2.462,431 1.736,432 3.862,433 2.223,434 1.243,435 1.451,436 2.853,437 1.2,438 2.4,439 1.256,440 3.543,441 2.073,442 1.101,443 1.373,445 2.63,446 1.065,447 2,448 1.146,449 3.428,450 1.967,451 1,452 1,454 2.275,455 0.965,456 1.86,457 1.058,458 3.414,459 1.697,460 0.739,461 0.813,463 1.827,464 0.704,465 17.2,466 0.465,467 0.955,468 0.026,469 43.75,470 1.182,471 19,472 0.514,473 24.75,474 0.669,475 37.586,476 1.016,477 41.6,478 0.594,479 38.265,480 1.034,481 8.807,482 0.238,483 9.081,484 0.245,485 0.136,487 0.39,493 0.921,494 1.424,495 0.828,496 1.168,497 0.838,498 1.009,499 1.023,500 1.082,501 0.873,502 0.907,503 0.636,504 0.844,505 0.979,506 0.911,507 0.984,508 0.929,509 0.789,510 0.937,511 0.541,512 1.182,513 0.94,514 1.197,515 0.523,516 1.158,517 0.739,518 0.982,519 0.852,520 0.953,521 0.697,522 0.926,523 0.84,524 0.896,525 0.858,526 0.874,527 0.673,528 0.863,529 1.059,530 1.001,531 1.071,532 0.995,533 1.02,534 1.029,535 0.702,536 1.182,537 0.987,538 1.186,539 0.697,540 1.155,541 7.5,542 0.282,543 4.222,544 3.84,545 2.13,546 1.651,547 1.066,548 0.694,549 0.616,550 0.446,551 21123,552 55956,553 2.084,554 47.1,556 25,559 3,560 3,562 2,564 1.784,565 1.93,566 3.735,567 0.782,573 107.714,574 1.539,575 3.621,576 4.729,577 5.233,578 5.451,579 5.565,580 3.254,581 4.777,582 5.172,583 3.928,584 2615.77,585 9.124,586 42315.1,591 429.05,592 1.472,593 5.131,594 0.183,595 0.007,596 0.072,597 0.061,598 0.037,599 0.031,600 0.019,601 0.012,602 0.011,603 0.009,604 0.441,605 0.33,606 0.75,607 1.076,608 203.452,609 -0.087,610 -0.194,611 0.042,612 -0.039,613 -0.09,614 0.013,615 -0.131,616 0.089,617 0.059,618 0.111,619 0.011,620 0.131,621 -0.064,622 0.197,623 -0.036,624 0.079,625 0.004,626 0.043,627 0.209,628 -0.157,629 -0.009,630 -0.158,631 0.231,632 -0.133,633 0.032,634 -0.008,635 0.117,636 0.026,637 0.014,638 0.08,639 0.025,640 0.108,641 0.117,642 0.103,643 0.096,644 0.128,645 -0.085,646 0.03,647 -0.107,648 0.02,649 -0.098,650 -0.038,651 0.085,652 -0.155,653 -0.049,654 -0.157,655 0.03,656 -0.139,657 2.088,658 6.044,659 0.649,660 46.798,661 1.007,662 1.128,663 1.147,664 1.316,665 0.645,666 3.738,667 4.094,668 4.419,669 4.736,670 4.984,671 5.142,672 5.308,673 5.493,674 5.609,675 5.749,676 8.07,677 0.618,678 507.64,679 3.738,680 5.303,681 6.18,682 7.084,683 7.982,684 8.897,685 9.805,686 10.726,687 11.641,688 12.565,689 4.3,692 2,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 70,733 18,734 2,735 41,737 74,738 28,739 14,740 7,741 5,742 3,746 5,747 7,752 2,758 1,761 17,762 11,766 2,771 1,773 1,775 2,781 33,782 8,783 3,784 9,790 3,794 0.6,795 6,796 1,807 1,811 2,812 3,815 2,831 2,836 2,838 1,840 3,844 2,848 37,853 3,854 9,856 2,859 2,870 8.6,871 1,872 2,873 1,875 2,877 19.167,878 12.95,879 8.167,880 4.215,881 3.843,882 1.444,883 0.943,884 7.671,885 12.489,886 3.951,887 4.572,888 5.205,889 5.844,890 6.401,891 6.827,892 7.26,893 7.719,894 8.034,895 8.449,896 0.9,897 63,898 13.783,900 6.004,901 7.82,902 26.319,904 22.074,905 2.32,906 85.833,910 353.133,911 128.549,912 8.148,914 175.195,917 128.549,918 528.328,919 8.148,920 19.708,921 17.274,922 99.541,923 120.889,924 49.578,925 4.901,926 353.133,928 353.133,929 136.697,930 175.195,933 329.591,934 156.054,935 42.683,937 34.247,938 87.73,939 14.72,941 353.133,942 183.342,943 128.549,946 353.133,947 51.983,948 84.713,950 175.195,951 353.133,952 183.342,953 128.549,955 0.583,956 0.351,957 0.195,958 0.109,959 29,960 14,961 0.108,962 8,963 2,964 1.167,965 4.641,966 370.959,967 0.167,968 24,969 188.75,974 25.915,975 10.952,976 5.183,977 1.979,978 181.443,979 8.393,984 2.289,985 2.259,986 128.05,987 665.024,988 51,993 13.044,995 1.715,997 -0.324,999 70.523,1000 78.979,1001 0.251,1002 0.591,1003 0.772,1004 0.854,1005 0.889,1006 0.908,1007 5.226,1008 2.003,1009 6.184,1010 6.364,1011 4.779,1012 5.26,1013 1.771,1014 7.047,1015 4.685,1016 6.443,1017 1.896,1018 7.775,1019 6.03,1020 4.443,1021 5.223,1022 0.57,1023 8.036,1024 4.306,1025 7.773,1026 1.79,1027 9.466,1028 5.984,1029 6.422,1030 7.512,1031 1.413,1032 11.184,1033 6.255,1034 9.142,1035 1.431,1036 11.215,1037 5.499,1038 6.909,1039 8.324,1040 0.479,1041 13.034,1042 6.713,1043 10.547,1044 1.243,1045 13.002,1046 3.436,1047 8.372,1048 10.131,1049 1.15,1050 15.723,1051 8.151,1052 11.978,1053 1.101,1054 14.818,1055 2.853,1056 9.244,1057 11.339,1058 0.346,1059 17.946,1060 9.003,1061 13.431,1062 1,1063 16.656,1064 2.63,1065 10.52,1066 12.97,1067 0.93,1068 20.486,1069 10.256,1070 3.352,1071 0.739,1072 18.512,1073 2.275,1074 11.571,1075 14.362,1076 0.237,1077 22.86,1078 11.287,1079 3.237,1080 11.994,1081 20.382,1082 1.827,1083 12.783,1084 15.928,1085 0.742,1086 25.35,1087 12.477,1088 2.66,1089 11.383,1090 22.265,1091 4.739,1092 13.913,1093 17.401,1094 0.158,1095 27.782,1096 13.586,1097 2.512,1098 7.917,1099 24.158,1100 4.248,1101 15.106,1102 18.946,1103 0.583,1104 30.256,1105 14.757,1106 2.465,1107 7.544,1108 26.06,1109 3.395,1110 16.271,1111 20.456,1112 0.104,1113 32.71,1114 15.9,1115 2.244,1116 7.351,1117 27.968,1118 3.281,1119 17.461,1120 21.996,1121 0.452,1122 35.18,1123 17.066,1124 2.127,1125 6.925,1126 29.883,1127 2.901,1128 18.643,1129 23.523,1130 0.068,1131 37.643,1132 18.223,1133 20068,1134 32952,1135 27.164,1136 45.165,1137 61.7,1138 63.782,1139 64.833,1140 61.58,1141 61.577,1142 76.747,1143 6.64,1144 183.648,1145 58.519,1146 5.772,1147 5.761,1148 6.885,1149 5.39,1150 5.352,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 20.521,1156 1.505,1157 1.556,1158 1.581,1159 1.502,1160 1.502,1161 1.872,1162 0.162,1163 4.479,1164 1.427,1165 4.175,1166 4.203,1167 4.145,1168 4.087,1169 7.428,1170 4.098,1171 3.975,1172 3.975,1173 3.952,1174 3.878,1175 6.492,1176 3.894,1177 3.862,1178 3.936,1179 3.743,1180 3.665,1181 6.456,1182 3.674,1183 3.607,1184 3.665,1185 3.514,1186 3.463,1187 6.445,1188 3.469,1189 3.554,1190 3.593,1191 3.441,1192 3.395,1193 4.97,1194 3.394,1195 3.46,1196 3.49,1197 3.362,1198 3.286,1199 4.755,1200 3.297,1201 3.284,1202 3.349,1203 3.128,1204 3.098,1205 4.58,1206 3.093,1207 3.192,1208 3.272,1209 2.993,1210 2.941,1211 4.376,1212 2.938,1213 0.116,1214 0.092,1215 0.171,1216 0.105,1217 0.082,1218 4.772,1219 0.116,1220 3.761,1221 0.021,1222 7.021,1223 0.293,1224 4.323,1225 0.079,1226 3.352,1227 4.739,1228 0.86,1229 11.994,1230 3.259,1231 1.942,1232 1.924,1233 2.038,1234 2.065,1235 1.358,1236 2.061,1237 1.851,1238 1.845,1239 2.001,1240 2.008,1241 1.204,1242 2.008,1243 1.818,1244 1.753,1245 1.912,1246 1.953,1247 1.142,1248 1.937,1249 1.719,1250 1.673,1251 1.882,1252 1.885,1253 1.062,1254 1.886,1255 1.551,1256 1.491,1257 1.803,1258 1.766,1259 1.032,1260 1.78,1261 1.42,1262 1.384,1263 1.634,1264 1.631,1265 0.835,1266 1.623,1267 1.262,1268 1.203,1269 1.563,1270 1.495,1271 0.825,1272 1.513,1273 1.188,1274 1.115,1275 1.514,1276 1.486,1277 0.603,1278 1.501,1279 4.419,1281 5.765,1282 3.045,1283 7.305,1284 5.587,1285 8.936,1286 7.818,1287 10.619,1289 3.653,1294 29.071,1295 7.659,1297 11.243,1300 4.853,1305 43.255,1306 107.714,1307 253.485,1308 331.018,1309 366.321,1310 381.54,1311 389.54,1312 80.953,1313 8.646,1314 111.54,1315 111.54,1316 28,1317 13.073,1318 4.248,1319 3.459,1320 56.673,1321 173,1322 246,1323 0.155,1324 260.403,1325 460.44,1326 627.143,1327 75658,1329 26.104,1330 0.706,1331 0.574,1332 26.104,1333 21.236,1334 17.889,1335 0.436,1336 0.308,1337 12.395,1338 17.014,1339 12.107,1340 9.936,1341 17.889,1342 12.619,1343 16.19,1344 0.274,1345 0.162,1346 16.19,1347 9.572,1348 14.144,1349 0.172,1350 0.089,1351 14.144,1352 7.329,1353 12.214,1354 0.108,1355 0.047,1356 12.214,1357 5.266,1358 9.786,1359 0.067,1360 0.026,1361 9.786,1362 3.702,1363 0.245,1364 113.465,1365 0.192,1366 33.682,1367 0.425,1368 200,1369 596.591,1370 221.747,1371 560.754,1372 763.8,1373 526,1374 241,1375 557.777,1376 263.806,1377 560.012,1378 829.27,1379 527,1380 8.398}
{0 CHEMBL1090506,1 1.538,2 10.833,3 3.286,4 10.796,5 115.765,6 7.565,7 0.485,8 4.102,9 4.2,10 3.674,11 3.601,12 5.264,13 3.603,14 4.623,15 4.786,16 4.047,17 3.993,18 5.725,19 3.989,20 4.822,21 4.976,22 4.117,23 4.137,24 5.981,25 4.102,26 4.974,27 5.191,28 4.097,29 4.156,30 6.167,31 4.082,32 4.887,33 5.096,34 3.953,35 4.066,36 5.929,37 3.988,38 4.832,39 5.054,40 3.971,41 4.026,42 5.918,43 3.965,44 4.764,45 4.934,46 3.977,47 4.044,48 5.861,49 3.992,50 4.859,51 5.055,52 3.962,53 4.046,54 5.965,55 3.98,56 0.094,57 0.742,58 10.962,59 5.073,60 13.599,61 6.133,62 0.301,63 1.202,64 20.952,65 7.88,66 23.362,67 10.016,68 0.435,69 1.398,70 25.703,71 10.283,72 44.086,73 12.87,74 0.775,75 1.554,76 32.908,77 12.088,78 95.406,79 16.429,80 0.516,81 1.409,82 29.983,83 11.165,84 57.323,85 14.792,86 0.539,87 1.378,88 28.607,89 10.043,90 63.915,91 13.764,92 0.445,93 1.304,94 24.859,95 9.72,96 41.965,97 12.387,98 0.56,99 1.378,100 28.758,101 10.581,102 58.166,103 13.815,104 44,105 48,106 0.254,107 0.619,108 0.796,109 0.85,110 0.862,111 0.862,112 3.441,113 0.881,114 -3.23,115 -3.22,116 -3.09,119 42.6,121 1,124 3,125 2,135 1,138 1,142 5,143 3,144 4,151 1,152 1,157 1,172 4,175 11,180 4,183 7,186 1,187 7,195 5,198 1,199 6,202 3,203 1,204 2,207 7,211 2,212 3,217 1,220 7,223 1,224 6,227 1,229 2,232 3,236 1,237 8,242 2,245 3,249 1,250 4,253 1,255 2,258 4,262 2,263 1,266 1,268 2,271 3,275 1570,276 19.972,277 19.972,278 19.972,279 19.972,280 19.972,281 17.784,282 24.896,283 11.515,284 20.52,285 16.232,286 16.232,287 16.232,288 16.232,289 16.232,290 12.655,291 29.741,292 5.424,293 17.039,294 4.216,295 1.997,296 0.924,297 0.597,298 0.523,299 0.523,300 4.133,304 1,305 1,306 694,307 3.674,310 122.038,311 156.946,314 234.221,318 1.589,319 35.801,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 66,331 325,332 4.681,333 3.76,334 6.88,335 4.258,336 3.281,337 4.637,338 0.86,339 11.436,340 3.206,341 4.578,342 3.25,343 6.759,344 4.16,345 3.187,346 4.248,347 0.86,348 11.108,349 3.101,350 3.92,351 2.922,352 5.777,353 3.473,354 2.505,355 3.366,356 0.8,357 7.812,358 2.419,359 3.752,360 2.749,361 5.533,362 3.341,363 2.408,364 3.188,366 7.124,367 2.242,368 3.535,369 2.593,370 5.289,371 3.178,372 2.239,373 2.887,375 6.586,376 2.116,377 3.347,378 2.565,379 5.138,380 3.086,381 2.139,382 2.613,384 6.025,385 2.004,386 3.232,387 2.3,388 4.963,389 2.938,390 2.005,391 2.431,393 5.53,394 1.858,395 3.189,396 2.233,397 4.792,398 2.764,399 1.806,400 2.247,402 5.197,403 1.717,404 2.993,405 1.92,406 4.644,407 2.596,408 1.634,409 2.138,411 4.887,412 1.562,413 2.719,414 1.692,415 4.239,416 2.224,417 1.242,418 1.673,420 3.402,421 1.206,422 2.408,423 1.178,424 3.793,425 2.064,426 1.094,427 1.355,428 2.745,429 1.053,430 2.061,431 1.071,432 3.246,433 1.84,434 0.875,435 1.016,436 1.994,437 0.84,438 1.626,439 0.874,440 3.042,441 1.338,442 0.47,443 0.525,445 0.746,446 0.404,447 1.435,448 0.713,449 2.813,450 0.975,456 1.174,457 0.136,458 2.723,459 0.787,460 -0.176,461 -0.214,463 -0.426,464 -0.167,465 13.967,466 0.466,467 0.891,468 0.03,469 38.75,470 1.292,471 19,472 0.633,473 19.75,474 0.658,475 24.907,476 0.83,477 32.833,478 0.608,479 32.391,480 1.08,481 7.896,482 0.263,483 6.471,484 0.216,485 0.179,487 0.415,493 0.895,494 1.336,495 0.784,496 1.115,497 0.814,498 0.958,499 1.015,500 0.898,501 0.785,502 0.793,503 0.589,504 0.723,505 0.997,506 1.14,507 0.992,508 1.112,509 0.906,510 1.058,511 0.576,512 0.921,513 0.81,514 0.971,515 0.549,516 0.94,517 0.9,518 1.064,519 0.95,520 1.053,521 0.958,522 1.027,523 0.766,524 0.927,525 0.806,526 0.861,527 0.624,528 0.836,529 0.971,530 1.131,531 1.031,532 1.106,533 0.889,534 1.084,535 0.964,536 1.07,537 1.012,538 1.077,539 0.933,540 1.059,541 7,542 0.229,543 3.333,544 3.368,545 1.668,546 1.223,547 0.692,548 0.698,549 0.453,550 0.365,551 11051,552 30430,553 2.048,554 44.4,556 19,557 1,559 2,562 2,564 1.733,565 1.875,566 3.394,567 0.21,568 1,569 1,573 83.073,574 1.538,575 3.757,576 4.831,577 5.157,578 5.231,579 5.231,580 2.886,581 4.774,582 4.874,583 3.58,584 1557.16,585 8.533,586 21418.3,588 1,590 1,591 310.764,592 1.522,593 4.816,594 0.212,595 0.009,596 0.069,597 0.069,598 0.036,599 0.031,600 0.016,601 0.017,602 0.011,603 0.011,604 0.482,605 0.33,606 1,607 1.379,608 152.914,609 -0.083,610 -0.175,611 0.038,612 -0.046,613 -0.107,614 0.007,615 -0.125,616 0.237,617 0.122,618 0.201,619 0.039,620 0.226,621 -0.05,622 -0.079,623 -0.081,624 -0.092,625 -0.021,626 -0.09,627 0.268,628 0.069,629 0.156,630 0.02,631 0.309,632 0.061,634 -0.092,635 0.016,636 -0.054,637 -0.052,638 -0.028,639 0.066,640 0.09,641 0.162,642 0.114,643 0.151,644 0.154,645 -0.048,646 -0.091,647 -0.108,648 -0.092,649 -0.071,650 -0.108,651 0.002,652 -0.074,653 -0.048,654 -0.085,656 -0.079,657 2.084,658 5.774,659 0.6,660 30.156,661 1.01,662 1.122,663 2.004,664 4.016,665 0.66,666 3.526,667 3.892,668 4.19,669 4.522,670 4.745,671 4.927,672 5.088,673 5.252,674 5.342,675 5.447,676 6.59,677 0.637,678 408.49,679 3.526,680 5.094,681 5.964,682 6.872,683 7.766,684 8.684,685 9.589,686 10.512,687 11.424,688 12.348,689 3.7,692 1,697 1,703 2,704 6,709 6,710 1,711 16,716 1,728 2,729 2,731 54,733 18,734 2,735 33,737 57,738 23,739 14,740 7,741 5,742 3,746 4,747 6,758 1,761 17,762 6,766 2,771 1,773 1,775 2,778 1,781 24,782 6,783 2,784 7,790 2,794 0.5,795 5,807 1,811 2,812 2,815 2,831 2,836 1,840 2,844 3,848 30,853 2,854 3,856 2,859 1,870 9.3,872 2,873 1,875 2,877 16,878 10.633,879 6.528,880 3.053,881 3.894,882 1.487,883 0.949,884 5.667,885 11.885,886 3.784,887 4.44,888 5.085,889 5.74,890 6.294,891 6.73,892 7.157,893 7.609,894 7.926,895 8.343,896 1,897 49,898 11.133,900 4.832,901 7.872,902 20.944,904 17.206,905 2.372,906 71.167,909 1,910 258.964,911 132.279,912 5.023,914 132.511,917 132.279,918 391.476,919 5.023,920 27.676,921 6.746,922 65.905,923 120.889,924 46.454,925 13.915,926 247.193,928 258.964,929 137.302,930 132.511,933 235.422,934 156.054,937 11.769,938 110.813,939 14.72,941 258.964,942 137.535,943 132.279,946 258.964,947 38.698,948 98.604,950 132.511,951 258.964,952 137.535,953 132.279,955 0.589,956 0.34,957 0.189,958 0.103,959 24,960 12,961 0.105,962 6,963 2,964 1.222,965 4.021,966 276.336,967 0.222,968 18,969 145.207,974 20.629,975 8.242,976 4.03,977 1.969,978 135.636,979 10.285,984 1.28,985 2.153,986 85.367,987 528.778,988 43,993 12.774,995 1.67,997 -0.319,999 54.56,1000 60.611,1001 0.267,1002 0.653,1003 0.84,1004 0.896,1005 0.909,1006 0.909,1007 5.05,1008 1.806,1009 5.979,1010 5.53,1011 4.575,1012 5.127,1013 1.593,1014 6.841,1015 4.49,1016 6.29,1017 1.634,1018 7.57,1019 5.197,1020 4.29,1021 5.112,1022 0.325,1023 7.825,1024 4.164,1025 7.627,1026 1.242,1027 9.258,1028 4.887,1029 6.217,1030 7.413,1031 1.294,1032 10.963,1033 6.07,1034 9.001,1035 1.094,1036 11.003,1037 3.402,1038 6.723,1039 8.213,1040 0.268,1041 12.794,1042 6.548,1043 10.408,1044 0.875,1045 12.786,1046 2.745,1047 8.164,1048 10.032,1049 1.061,1050 15.467,1051 7.973,1052 11.84,1053 0.47,1054 14.596,1055 1.994,1056 9.039,1057 11.217,1058 0.188,1059 17.659,1060 8.827,1061 13.292,1063 16.428,1064 0.746,1065 10.302,1066 12.849,1067 0.861,1068 20.172,1069 10.074,1070 3.281,1071 -0.176,1072 18.277,1074 11.348,1075 14.214,1076 0.125,1077 22.507,1078 11.099,1079 3.187,1080 11.436,1081 20.14,1082 -0.426,1083 12.547,1084 15.771,1085 0.69,1086 24.964,1087 12.28,1088 2.505,1089 11.108,1090 22.013,1091 4.637,1092 13.667,1093 17.219,1094 0.082,1095 27.354,1096 13.378,1097 2.408,1098 7.812,1099 23.896,1100 4.248,1101 14.847,1102 18.748,1103 0.544,1104 29.79,1105 14.538,1106 2.239,1107 7.124,1108 25.787,1109 3.366,1110 15.998,1111 20.233,1112 0.054,1113 32.202,1114 15.667,1115 2.139,1116 6.586,1117 27.683,1118 3.188,1119 17.173,1120 21.754,1121 0.424,1122 34.631,1123 16.821,1124 2.005,1125 6.025,1126 29.584,1127 2.887,1128 18.338,1129 23.257,1130 0.035,1131 37.051,1132 17.963,1133 10754,1134 18091,1135 21.501,1136 35.659,1137 50.468,1138 51.868,1139 52.553,1140 49.828,1141 49.766,1142 64.647,1143 5.04,1144 149.182,1145 47.458,1146 5.553,1147 5.76,1148 6.429,1149 5.325,1150 5.281,1151 7.637,1152 1.72,1153 18.675,1154 5.206,1155 17.926,1156 1.529,1157 1.572,1158 1.593,1159 1.51,1160 1.508,1161 1.959,1162 0.153,1163 4.521,1164 1.438,1165 4.161,1166 4.189,1167 4.129,1168 4.073,1169 7.428,1170 4.083,1171 3.975,1172 3.974,1173 3.951,1174 3.877,1175 6.492,1176 3.893,1177 3.701,1178 3.78,1179 3.559,1180 3.516,1181 6.445,1182 3.515,1183 3.549,1184 3.579,1185 3.484,1186 3.425,1187 4.977,1188 3.434,1189 3.447,1190 3.489,1191 3.358,1192 3.236,1193 4.755,1194 3.257,1195 3.258,1196 3.325,1197 3.082,1198 3.057,1199 4.582,1200 3.053,1201 3.129,1202 3.192,1203 2.97,1204 2.916,1205 4.326,1206 2.917,1207 2.996,1208 3.02,1209 2.897,1210 2.77,1211 4.134,1212 2.792,1213 0.142,1214 0.114,1215 0.208,1216 0.129,1217 0.099,1218 4.681,1219 0.141,1220 3.76,1221 0.026,1222 6.88,1223 0.347,1224 4.258,1225 0.097,1226 3.281,1227 4.637,1228 0.86,1229 11.436,1230 3.206,1231 1.942,1232 1.924,1233 2.026,1234 2.043,1235 1.276,1236 2.039,1237 1.85,1238 1.845,1239 1.941,1240 1.953,1241 1.147,1242 1.94,1243 1.739,1244 1.685,1245 1.91,1246 1.923,1247 1.036,1248 1.929,1249 1.59,1250 1.542,1251 1.765,1252 1.79,1253 0.894,1254 1.785,1255 1.397,1256 1.335,1257 1.638,1258 1.632,1259 0.749,1260 1.627,1261 1.193,1262 1.142,1263 1.561,1264 1.49,1265 0.583,1266 1.515,1267 1.171,1268 1.111,1269 1.417,1270 1.383,1271 0.494,1272 1.38,1273 0.935,1274 0.882,1275 1.358,1276 1.239,1277 0.469,1278 1.308,1279 4.205,1281 5.557,1282 3.045,1283 7.091,1284 5.533,1285 8.717,1286 7.727,1287 10.398,1289 5.702,1294 19.712,1295 2.77,1297 11.031,1300 2.141,1305 34.412,1306 83.073,1307 202.899,1308 260.89,1309 278.499,1310 282.499,1311 282.499,1312 63.435,1313 7.992,1314 88.07,1315 88.07,1316 22,1317 12.856,1318 4.248,1319 3.459,1320 46.819,1321 115,1322 128,1323 0.196,1324 209.044,1325 366.51,1326 501.827,1327 32006,1329 21.413,1330 0.714,1331 0.573,1332 21.413,1333 17.176,1334 14.367,1335 0.435,1336 0.294,1337 9.508,1338 13.674,1339 9.202,1340 7.664,1341 14.367,1342 9.689,1343 13.478,1344 0.281,1345 0.158,1346 13.478,1347 7.596,1348 11.056,1349 0.17,1350 0.079,1351 11.056,1352 5.147,1353 9.793,1354 0.108,1355 0.041,1356 9.793,1357 3.708,1358 7.535,1359 0.066,1360 0.021,1361 7.535,1362 2.433,1363 0.304,1364 91.225,1365 0.216,1366 28.022,1367 0.553,1368 162,1369 504.796,1370 179.227,1371 478.556,1372 650.01,1373 446,1374 194,1375 478.093,1376 212.395,1377 484.998,1378 711.75,1379 452,1380 7.398}
{0 CHEMBL1090573,1 1.534,2 15.256,3 3.217,4 10.351,5 149.208,6 7.215,7 0.5,8 4.399,9 4.532,10 3.952,11 3.89,12 5.42,13 3.879,14 4.973,15 5.166,16 4.297,17 4.296,18 5.967,19 4.257,20 5.234,21 5.472,22 4.32,23 4.44,24 6.13,25 4.36,26 5.253,27 5.51,28 4.286,29 4.423,30 6.161,31 4.327,32 5.226,33 5.477,34 4.313,35 4.401,36 6.177,37 4.328,38 5.18,39 5.401,40 4.341,41 4.446,42 6.148,43 4.377,44 5.226,45 5.45,46 4.293,47 4.505,48 6.123,49 4.402,50 5.271,51 5.518,52 4.203,53 4.474,54 6.139,55 4.334,56 0.022,57 1.164,58 15.859,59 6.064,60 9.091,61 8.644,62 0.463,63 1.871,64 31.183,65 10.087,66 36.729,67 14.763,68 0.501,69 2.232,70 42.528,71 13.241,72 45.421,73 20.083,74 0.436,75 2.233,76 43.69,77 14.02,78 52.283,79 21.403,80 0.508,81 2.15,82 42.93,83 13.104,84 61.772,85 19.944,86 0.514,87 2.174,88 39.487,89 12.831,90 53.628,91 18.893,92 0.478,93 2.252,94 40.936,95 14.528,96 42.586,97 21.236,98 0.402,99 2.215,100 43.74,101 16.676,102 56.782,103 24.305,104 2,105 60,106 0.236,107 0.561,108 0.721,109 0.814,110 0.818,111 0.823,112 3.693,113 0.936,114 -4.43,115 -4.36,116 -4.11,119 39.7,121 3,125 8,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 7,174 3,175 11,178 2,179 1,180 4,183 6,186 2,187 8,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 2,212 11,217 2,220 3,223 1,224 7,227 3,229 1,232 8,236 4,237 4,245 10,249 2,250 7,253 4,255 1,258 4,263 10,268 1,271 2,275 3492,276 27.223,277 27.223,278 27.223,279 27.223,280 27.223,281 24.559,282 32.974,283 16.503,284 27.985,285 21.823,286 21.823,287 21.823,288 21.823,289 21.823,290 17.736,291 44.227,292 7.96,293 23.033,294 4.656,295 2.548,296 1.509,297 0.904,298 0.877,299 0.849,300 4.414,305 1,306 1325,307 3.464,310 97.507,311 635.377,314 172.995,318 2.276,319 29.243,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84,331 595,332 4.674,333 3.562,334 6.841,335 4.203,336 3.256,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.35,343 6.112,344 3.778,345 2.803,346 3.792,347 0.86,348 8.95,349 2.734,350 3.977,351 2.933,352 6.099,353 3.613,354 2.689,355 3.479,356 0.8,357 8.835,358 2.543,359 3.905,360 2.831,361 5.568,362 3.598,363 2.643,364 3.307,365 0.8,366 7.635,367 2.456,368 3.757,369 2.769,370 5.351,371 3.427,372 2.5,373 3.139,374 0.247,375 6.979,376 2.319,377 3.514,378 2.548,379 5.323,380 3.364,381 2.4,382 2.655,384 6.924,385 2.309,386 3.405,387 2.413,388 5.116,389 2.96,390 2.004,391 2.522,393 5.839,394 1.926,395 3.177,396 2.317,397 4.678,398 2.903,399 1.936,400 2.268,402 5.114,403 1.841,404 2.968,405 1.918,406 4.418,407 2.524,408 1.574,409 2.176,411 4.261,412 1.496,413 2.844,414 1.552,415 4.365,416 2.452,417 1.499,418 1.975,420 3.962,421 1.425,422 2.754,423 1.535,424 3.762,425 2.346,426 1.422,427 1.824,428 3.117,429 1.302,430 2.51,431 1.519,432 3.633,433 2.315,434 1.374,435 1.511,436 2.995,437 1.286,438 2.5,439 1.309,440 3.569,441 2.077,442 1.161,443 1.5,445 2.899,446 1.058,447 2.5,448 1.256,449 3.431,450 2,451 1,452 1.5,454 2.275,455 1,456 2.455,457 1.077,458 3.414,459 1.984,460 1,461 1.449,463 2.136,464 0.983,465 18.367,466 0.471,467 0.705,468 0.018,469 50.5,470 1.295,471 23,472 0.59,473 27.5,474 0.705,475 35.806,476 0.918,477 42.233,478 0.579,479 40.495,480 1.038,481 9.726,482 0.249,483 9.5,484 0.244,485 0.018,487 0.283,493 0.874,494 1.583,495 0.8,496 1.208,497 0.598,498 1.021,499 1.082,500 1.113,501 0.982,502 0.978,503 0.625,504 0.965,505 1.091,506 1.099,507 1.004,508 0.969,509 0.871,510 0.97,511 0.79,512 1.055,513 0.915,514 1.012,515 0.758,516 0.977,517 1.081,518 0.978,519 0.886,520 0.855,521 1.276,522 0.838,523 1.107,524 0.983,525 1.046,526 0.963,527 1.125,528 0.984,529 0.828,530 1.01,531 1.117,532 1.119,533 0.635,534 1.147,535 0.466,536 1.112,537 0.971,538 1.252,539 0.486,540 1.204,541 6,542 0.17,543 3.333,544 1.757,545 1.64,546 1.524,547 0.816,548 0.32,549 0.431,550 0.317,551 27371,552 63494,553 2.203,554 46.6,555 2,556 23,557 1,558 2,559 2,561 4,564 1.796,565 2.147,566 3.841,567 0.162,573 112.002,574 1.534,575 3.642,576 4.68,577 5.286,578 5.313,579 5.341,580 3.352,581 4.773,582 5.248,583 4.05,584 3001.03,585 9.271,586 51984.4,591 451.857,592 1.018,593 5.251,594 0.136,595 0.004,596 0.056,597 0.029,598 0.029,599 0.025,600 0.013,601 0.006,602 0.008,603 0.007,604 0.313,605 0.17,606 0.75,607 0.271,608 219.798,609 -0.03,610 -0.333,611 0.08,612 -0.124,613 0.021,614 -0.024,615 0.031,616 0.039,617 -0.025,618 0.011,619 0.108,620 -0.015,621 -0.088,622 -0.06,623 -0.025,624 0.008,625 -0.01,626 0.001,627 0.044,628 -0.045,629 0.06,630 -0.034,631 0.1,632 0.009,633 -0.04,634 0.027,635 0.109,636 0.112,637 0.007,638 0.132,639 -0.081,640 0.101,641 -0.08,642 0.027,643 -0.047,644 -0.017,645 -0.021,646 0.058,647 -0.179,648 -0.094,649 -0.072,650 -0.147,651 0.196,652 -0.145,653 -0.03,654 -0.2,655 0.122,656 -0.162,657 1.979,658 5.397,659 0.846,660 57.172,661 0.999,662 1.134,663 3.203,664 10.256,665 0.656,666 3.807,667 4.111,668 4.394,669 4.682,670 4.942,671 5.05,672 5.273,673 5.464,674 5.609,675 5.775,676 8.784,677 0.623,678 526.71,679 3.807,680 5.342,681 6.192,682 7.064,683 7.932,684 8.814,685 9.694,686 10.584,687 11.471,688 12.368,689 11,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 73,733 23,734 1,735 44,737 78,738 29,739 17,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 18,762 11,766 1,771 1,775 1,781 34,782 9,783 2,784 10,790 8,794 0.833,795 2,805 1,806 1,807 1,811 1,812 5,815 1,836 1,839 1,840 5,848 39,854 11,855 2,856 1,859 2,870 2.7,873 1,874 1,877 18.167,878 12.867,879 8.556,880 4.635,881 3.984,882 1.455,883 1.015,884 8.119,885 12.749,886 4.043,887 4.608,888 5.189,889 5.805,890 6.363,891 6.727,892 7.233,893 7.702,894 8.04,895 8.46,896 1,897 60,898 14.453,900 6.147,901 7.56,902 28.28,904 23.591,905 2.06,906 80.333,910 376.675,911 144.818,912 94.526,914 36.145,917 144.818,918 412.82,919 94.526,921 65.444,922 75.381,923 111.759,924 39.843,925 18.375,926 341.362,928 376.675,929 239.343,930 36.145,933 331.919,934 72.229,935 11,937 90.278,938 96.381,939 50.357,941 376.675,942 130.671,943 144.818,946 376.675,947 51.342,948 101.624,949 36.022,950 86.501,951 376.675,952 130.671,953 144.818,955 0.572,956 0.329,957 0.184,958 0.102,959 29,960 11,961 0.09,962 7,963 1,964 1.061,965 5.063,966 391.407,967 0.061,968 33,969 190.131,974 25.902,975 12.225,976 6.287,977 2.03,978 128.772,979 18.695,980 14.042,984 3.892,985 2.262,986 36.022,987 652.163,988 56,993 12.397,997 -0.312,999 72.956,1000 82.803,1001 0.248,1002 0.588,1003 0.756,1004 0.854,1005 0.858,1006 0.863,1007 5.276,1008 1.936,1009 6.146,1010 5.839,1011 4.796,1012 5.296,1013 2.219,1014 6.929,1015 4.693,1016 6.445,1017 1.574,1018 7.676,1019 5.114,1020 4.205,1021 4.987,1022 1.404,1023 7.751,1024 4.049,1025 7.73,1026 1.499,1027 9.307,1028 4.261,1029 6.351,1030 7.457,1031 2.581,1032 10.883,1033 6.145,1034 9.053,1035 1.422,1036 11.002,1037 3.962,1038 6.635,1039 8.067,1040 2.382,1041 12.606,1042 6.375,1043 10.415,1044 1.374,1045 12.741,1046 3.117,1047 8.191,1048 9.976,1049 3.295,1050 15.239,1051 7.884,1052 11.803,1053 1.161,1054 14.512,1055 2.995,1056 8.901,1057 11.039,1058 3.421,1059 17.349,1060 8.541,1061 13.215,1062 1,1063 16.306,1064 2.899,1065 10.204,1066 12.716,1067 4.17,1068 19.825,1069 9.797,1070 3.256,1071 1,1072 18.119,1073 2.275,1074 11.133,1075 14.012,1076 4.467,1077 22.107,1078 10.672,1079 2.803,1080 11.398,1081 19.946,1082 2.136,1083 12.331,1084 15.59,1085 5.115,1086 24.537,1087 11.822,1088 2.689,1089 8.95,1090 21.785,1091 4.627,1092 13.372,1093 17.004,1094 5.504,1095 26.897,1096 12.809,1097 2.643,1098 8.835,1099 23.635,1100 3.792,1101 14.533,1102 18.545,1103 6.092,1104 29.318,1105 13.92,1106 2.5,1107 7.635,1108 25.494,1109 3.479,1110 15.631,1111 20.016,1112 6.531,1113 31.714,1114 14.964,1115 2.4,1116 6.979,1117 27.361,1118 3.307,1119 16.784,1120 21.545,1121 7.084,1122 34.137,1123 16.064,1124 2.004,1125 6.924,1126 29.234,1127 3.139,1128 17.914,1129 23.045,1130 7.551,1131 36.55,1132 17.139,1133 25036,1134 38425,1135 30.8,1136 47.853,1137 65.491,1138 66.541,1139 65.8,1140 65.384,1141 65.359,1142 82.817,1143 8.726,1144 182.265,1145 62.058,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.256,1151 7.627,1152 2.912,1153 18.809,1154 5.085,1155 8.637,1156 1.488,1157 1.512,1158 1.495,1159 1.486,1160 1.485,1161 1.882,1162 0.198,1163 4.142,1164 1.41,1165 4.145,1166 4.191,1167 4.117,1168 4.008,1169 7.431,1170 4.029,1171 3.914,1172 3.955,1173 3.861,1174 3.817,1175 5.083,1176 3.821,1177 3.861,1178 3.92,1179 3.792,1180 3.743,1181 4.908,1182 3.751,1183 3.831,1184 3.881,1185 3.708,1186 3.684,1187 4.716,1188 3.679,1189 3.741,1190 3.8,1191 3.624,1192 3.517,1193 4.615,1194 3.534,1195 3.46,1196 3.522,1197 3.399,1198 3.253,1199 4.404,1200 3.266,1201 3.378,1202 3.437,1203 3.266,1204 3.143,1205 4.294,1206 3.171,1207 3.189,1208 3.255,1209 3.086,1210 2.964,1211 4.077,1212 3,1213 0.106,1214 0.081,1215 0.155,1216 0.096,1217 0.074,1218 4.674,1219 0.105,1220 3.562,1221 0.038,1222 6.841,1223 0.259,1224 4.203,1225 0.07,1226 3.256,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.922,1233 2.063,1234 2.093,1235 1.415,1236 2.076,1237 1.841,1238 1.788,1239 2.028,1240 2.027,1241 1.224,1242 2.038,1243 1.824,1244 1.773,1245 1.941,1246 1.991,1247 1.125,1248 1.978,1249 1.788,1250 1.747,1251 1.926,1252 1.941,1253 1.091,1254 1.941,1255 1.632,1256 1.569,1257 1.822,1258 1.859,1259 0.948,1260 1.851,1261 1.558,1262 1.506,1263 1.723,1264 1.737,1265 0.873,1266 1.736,1267 1.274,1268 1.222,1269 1.513,1270 1.558,1271 0.825,1272 1.515,1273 1.201,1274 1.132,1275 1.513,1276 1.45,1277 0.825,1278 1.459,1279 4.489,1281 5.796,1282 2.398,1283 7.3,1284 4.727,1285 8.892,1286 6.843,1287 10.532,1295 11.198,1296 5.675,1297 5.603,1300 4.849,1305 45.449,1306 112.002,1307 265.859,1308 341.676,1309 385.857,1310 387.857,1311 389.857,1312 55.453,1313 8.765,1314 100.44,1315 100.44,1316 35,1317 12.895,1318 4.585,1319 3.7,1320 55.1,1321 198,1322 237,1323 0.129,1324 274.733,1325 469.04,1326 662.11,1327 91091,1329 26.443,1330 0.678,1331 0.565,1332 26.443,1333 22.051,1334 19.225,1335 0.437,1336 0.312,1337 13.512,1338 18.386,1339 13.315,1340 10.943,1341 19.225,1342 13.732,1343 16.901,1344 0.282,1345 0.167,1346 16.901,1347 10.011,1348 14.406,1349 0.18,1350 0.092,1351 14.406,1352 7.354,1353 12.379,1354 0.116,1355 0.049,1356 12.379,1357 5.238,1358 10.247,1359 0.074,1360 0.026,1361 10.247,1362 3.676,1363 0.205,1364 120.825,1365 0.18,1366 35.554,1367 0.346,1368 208,1369 566.007,1370 229.939,1371 544.996,1372 759.95,1373 516,1374 244,1375 569.625,1376 266.942,1377 573.414,1378 844.69,1379 542,1380 7.276}
{0 CHEMBL1090574,1 1.552,2 15.795,3 1.903,4 3.621,5 149.791,6 7.158,7 0.512,8 4.404,9 4.544,10 3.941,11 3.858,12 5.456,13 3.852,14 4.958,15 5.164,16 4.266,17 4.241,18 5.972,19 4.211,20 5.174,21 5.404,22 4.292,23 4.39,24 6.121,25 4.317,26 5.248,27 5.513,28 4.284,29 4.395,30 6.172,31 4.304,32 5.216,33 5.467,34 4.303,35 4.381,36 6.195,37 4.313,38 5.181,39 5.405,40 4.307,41 4.427,42 6.151,43 4.351,44 5.233,45 5.468,46 4.256,47 4.468,48 6.118,49 4.358,50 5.279,51 5.543,52 4.186,53 4.435,54 6.149,55 4.299,56 0.033,57 1.176,58 16.326,59 5.761,60 11.01,61 8.584,62 0.533,63 1.808,64 31.549,65 9.143,66 39.942,67 14.051,68 0.509,69 2.107,70 39.904,71 12.063,72 46.697,73 18.649,74 0.463,75 2.159,76 43.964,77 13.377,78 55.856,79 21.079,80 0.563,81 2.1,82 42.706,83 12.154,84 65.846,85 19.154,86 0.553,87 2.131,88 39.852,89 12.734,90 55.357,91 19.079,92 0.471,93 2.19,94 41.908,95 14.448,96 44.254,97 21.669,98 0.526,99 2.15,100 45.201,101 15.794,102 61.111,103 23.718,104 16,105 58,106 0.239,107 0.569,108 0.727,109 0.812,110 0.824,111 0.828,112 3.693,113 0.921,114 -3.51,115 -3.49,116 -3.33,119 37.8,124 2,125 8,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 9,178 2,179 1,180 4,183 5,186 1,187 7,190 2,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 1,212 7,215 1,217 4,220 3,223 2,224 6,227 3,229 1,232 8,236 2,237 1,240 2,242 1,245 6,249 3,250 6,253 4,255 3,258 2,263 4,268 3,275 3637,276 26.775,277 26.775,278 26.775,279 26.775,280 26.775,281 24.111,282 34.092,283 16.337,284 27.611,285 21.323,286 21.323,287 21.323,288 21.323,289 21.323,290 17.236,291 46.727,292 7.886,293 22.623,294 4.658,295 2.513,296 1.489,297 0.939,298 0.858,299 0.831,300 4.401,306 1331,307 4.183,310 101.419,311 512.691,314 179.544,318 2.456,319 30.105,322 0.5,323 0.5,324 0.5,325 0.8,326 0.5,327 0.67,328 1,329 0.64,330 84.5,331 616,332 4.674,333 3.562,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.397,340 3.085,341 4.173,342 3.349,343 6.112,344 3.778,345 2.802,346 3.792,347 0.86,348 8.949,349 2.734,350 3.977,351 2.912,352 6.098,353 3.61,354 2.677,355 3.479,356 0.8,357 8.831,358 2.542,359 3.902,360 2.799,361 5.568,362 3.588,363 2.643,364 3.306,365 0.8,366 7.635,367 2.442,368 3.757,369 2.589,370 5.323,371 3.366,372 2.401,373 3.138,374 0.4,375 6.925,376 2.313,377 3.405,378 2.548,379 5.134,380 3.15,381 2.235,382 2.655,383 0.247,384 5.883,385 2.044,386 3.24,387 2.419,388 4.678,389 2.972,390 2.027,391 2.297,393 5.183,394 1.928,395 3.192,396 2.325,397 4.659,398 2.919,399 1.941,400 2.23,402 5.114,403 1.865,404 2.968,405 2.023,406 4.421,407 2.566,408 1.652,409 2.176,411 4.265,412 1.506,413 2.844,414 1.777,415 4.373,416 2.452,417 1.5,418 1.975,420 4.019,421 1.425,422 2.789,423 1.535,424 3.763,425 2.316,426 1.407,427 1.853,428 3.103,429 1.286,430 2.556,431 1.519,432 3.628,433 2.306,434 1.374,435 1.565,436 2.995,437 1.26,438 2.5,439 1.314,440 3.569,441 2.076,442 1.159,443 1.5,445 2.895,446 1.058,447 2.5,448 1.256,449 3.426,450 2,451 1,452 1.5,454 2.275,455 1,456 2.455,457 1,458 3.414,459 1.984,460 1,461 1.448,463 2.136,464 0.983,465 18.267,466 0.468,467 0.78,468 0.02,469 50.5,470 1.295,471 23,472 0.59,473 27.5,474 0.705,475 34.632,476 0.888,477 42.933,478 0.58,479 42.456,480 1.089,481 10.25,482 0.263,483 8.814,484 0.226,485 0.073,487 0.285,493 0.923,494 1.677,495 0.824,496 1.261,497 0.659,498 1.055,499 1.183,500 1.027,501 0.973,502 0.868,503 0.68,504 0.878,505 1.11,506 1.139,507 1.042,508 1.027,509 0.966,510 1.023,511 0.775,512 1.045,513 0.856,514 0.975,515 0.761,516 0.926,517 1.154,518 0.969,519 0.933,520 0.849,521 1.339,522 0.848,523 1.067,524 0.978,525 1.078,526 1.016,527 1.135,528 1.04,529 0.75,530 1.068,531 1.062,532 1.162,533 0.576,534 1.157,535 0.532,536 0.991,537 0.928,538 1.131,539 0.459,540 1.1,541 6.5,542 0.24,543 3.333,544 1.944,545 1.649,546 1.514,547 0.841,548 0.366,549 0.403,550 0.332,551 26426,552 64823,553 2.126,554 47.3,556 29,557 1,558 2,559 3,564 1.795,565 2.035,566 3.881,567 0.799,573 114.839,574 1.552,575 3.696,576 4.721,577 5.27,578 5.351,579 5.378,580 3.394,581 4.824,582 5.245,583 4.104,584 3041.41,585 9.267,586 53534.7,591 459.5,592 1.211,593 5.237,594 0.151,595 0.006,596 0.057,597 0.034,598 0.029,599 0.026,600 0.014,601 0.007,602 0.008,603 0.007,604 0.339,605 0.33,606 0.63,607 1.233,608 220.871,609 -0.051,610 -0.388,611 0.072,612 -0.154,613 -0.021,614 -0.042,615 -0.02,616 0.132,617 0.004,618 0.112,619 0.084,620 0.069,621 -0.094,622 -0.067,623 -0.071,624 -0.03,625 -0.059,626 -0.047,627 0.055,628 -0.044,629 0.118,630 0.009,631 0.109,632 0.066,633 -0.091,634 0.054,635 0.061,636 0.117,637 -0.033,638 0.118,639 -0.071,640 0.112,641 -0.115,642 -0.004,643 -0.063,644 -0.056,645 0.024,646 -0.017,647 -0.121,648 -0.116,649 -0.025,650 -0.136,651 0.183,652 -0.027,653 0.025,654 -0.093,655 0.154,656 -0.067,657 1.988,658 5.378,659 0.692,660 61.366,661 1.001,662 1.139,663 2.284,664 5.215,665 0.647,666 3.784,667 4.078,668 4.331,669 4.615,670 4.868,671 4.997,672 5.215,673 5.394,674 5.517,675 5.663,676 9.074,677 0.614,678 529.72,679 3.784,680 5.313,681 6.151,682 7.018,683 7.88,684 8.76,685 9.637,686 10.527,687 11.414,688 12.311,689 12.2,691 1,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 74,733 23,734 1,735 43,737 78,738 28,739 17,740 2,741 4,746 5,747 6,751 1,761 18,762 10,766 1,771 1,775 1,781 35,782 10,783 3,784 11,790 9,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,835 1,836 1,839 1,840 4,844 2,848 39,854 8,855 3,856 1,859 2,870 2.7,873 1,874 1,877 19.167,878 13.617,879 8.639,880 4.335,881 3.993,882 1.467,883 0.991,884 9.139,885 12.549,886 4.025,887 4.588,888 5.161,889 5.784,890 6.344,891 6.711,892 7.215,893 7.677,894 8.006,895 8.419,896 0.909,897 58,898 14.409,900 5.988,901 7.611,902 27.877,904 22.469,905 2.111,906 82.333,910 376.675,911 154.007,912 112.537,914 36.145,917 154.007,918 412.82,919 112.537,920 16.793,921 57.84,922 93.392,923 111.759,924 39.843,925 18.375,926 341.362,928 376.675,929 266.543,930 36.145,933 379.003,934 25.145,935 11,937 100.685,938 113.174,939 50.357,941 376.675,942 148.681,943 154.007,946 376.675,947 43.738,948 118.416,949 54.032,950 86.501,951 376.675,952 148.681,953 154.007,955 0.569,956 0.317,957 0.175,958 0.097,959 26,960 11,961 0.128,962 10,963 1,964 1.074,965 5.018,966 378.206,967 0.074,968 27,969 190.131,974 27.188,975 13.11,976 7.177,977 1.954,978 146.782,979 18.511,980 13.95,984 3.802,985 2.187,986 54.032,987 679.363,988 55,993 12.378,997 -0.321,999 74.058,1000 84.301,1001 0.25,1002 0.595,1003 0.76,1004 0.849,1005 0.862,1006 0.866,1007 5.25,1008 1.941,1009 6.107,1010 5.183,1011 4.762,1012 5.276,1013 2.253,1014 6.882,1015 4.652,1016 6.424,1017 1.652,1018 7.634,1019 5.114,1020 4.205,1021 4.987,1022 1.404,1023 7.711,1024 4.049,1025 7.709,1026 1.5,1027 9.264,1028 4.265,1029 6.308,1030 7.443,1031 2.584,1032 10.84,1033 6.096,1034 9.032,1035 1.407,1036 10.959,1037 4.019,1038 6.608,1039 8.06,1040 2.382,1041 12.573,1042 6.353,1043 10.393,1044 1.374,1045 12.699,1046 3.103,1047 8.144,1048 9.968,1049 3.295,1050 15.212,1051 7.835,1052 11.783,1053 1.159,1054 14.471,1055 2.995,1056 8.866,1057 11.035,1058 3.421,1059 17.33,1060 8.512,1061 13.195,1062 1,1063 16.268,1064 2.895,1065 10.16,1066 12.712,1067 4.17,1068 19.81,1069 9.755,1070 3.255,1071 1,1072 18.084,1073 2.275,1074 11.099,1075 14.01,1076 4.467,1077 22.098,1078 10.645,1079 2.802,1080 11.397,1081 19.914,1082 2.136,1083 12.295,1084 15.589,1085 5.115,1086 24.531,1087 11.79,1088 2.677,1089 8.949,1090 21.758,1091 4.627,1092 13.343,1093 17.003,1094 5.504,1095 26.893,1096 12.787,1097 2.643,1098 8.831,1099 23.611,1100 3.792,1101 14.505,1102 18.544,1103 6.092,1104 29.315,1105 13.897,1106 2.401,1107 7.635,1108 25.473,1109 3.479,1110 15.609,1111 20.016,1112 6.531,1113 31.712,1114 14.948,1115 2.235,1116 6.925,1117 27.343,1118 3.306,1119 16.763,1120 21.545,1121 7.084,1122 34.135,1123 16.049,1124 2.027,1125 5.883,1126 29.219,1127 3.138,1128 17.897,1129 23.045,1130 7.551,1131 36.549,1132 17.128,1133 24977,1134 39398,1135 29.413,1136 47.858,1137 63.674,1138 64.489,1139 64.358,1140 63.341,1141 63.312,1142 80.763,1143 9.526,1144 174.997,1145 59.815,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 2.912,1153 18.807,1154 5.085,1155 15.727,1156 1.481,1157 1.5,1158 1.497,1159 1.473,1160 1.472,1161 1.878,1162 0.222,1163 4.07,1164 1.391,1165 4.143,1166 4.189,1167 4.115,1168 4.006,1169 7.431,1170 4.027,1171 3.915,1172 3.955,1173 3.862,1174 3.817,1175 5.084,1176 3.821,1177 3.85,1178 3.89,1179 3.79,1180 3.741,1181 4.908,1182 3.749,1183 3.749,1184 3.817,1185 3.634,1186 3.524,1187 4.716,1188 3.54,1189 3.711,1190 3.79,1191 3.568,1192 3.489,1193 4.615,1194 3.497,1195 3.491,1196 3.574,1197 3.402,1198 3.268,1199 4.422,1200 3.279,1201 3.412,1202 3.469,1203 3.306,1204 3.155,1205 4.343,1206 3.19,1207 3.242,1208 3.317,1209 3.147,1210 2.989,1211 4.133,1212 3.024,1213 0.109,1214 0.083,1215 0.159,1216 0.098,1217 0.076,1218 4.674,1219 0.108,1220 3.562,1221 0.039,1222 6.841,1223 0.265,1224 4.202,1225 0.072,1226 3.255,1227 4.627,1228 1.656,1229 11.397,1230 3.085,1231 1.952,1232 1.921,1233 2.031,1234 2.091,1235 1.227,1236 2.07,1237 1.827,1238 1.786,1239 1.945,1240 1.993,1241 1.189,1242 1.98,1243 1.793,1244 1.754,1245 1.934,1246 1.952,1247 1.107,1248 1.953,1249 1.707,1250 1.631,1251 1.926,1252 1.941,1253 1.054,1254 1.941,1255 1.609,1256 1.543,1257 1.828,1258 1.857,1259 0.948,1260 1.853,1261 1.557,1262 1.495,1263 1.724,1264 1.75,1265 0.872,1266 1.745,1267 1.324,1268 1.245,1269 1.599,1270 1.586,1271 0.825,1272 1.596,1273 1.244,1274 1.186,1275 1.513,1276 1.554,1277 0.721,1278 1.507,1279 4.466,1281 5.765,1282 2.398,1283 7.253,1284 4.727,1285 8.833,1286 6.843,1287 10.466,1289 4.152,1295 6.537,1296 9.158,1297 5.584,1300 4.441,1305 45.471,1306 114.839,1307 273.502,1308 349.319,1309 389.99,1310 395.99,1311 397.99,1312 60.729,1313 8.556,1314 112.47,1315 112.47,1316 29,1317 12.838,1318 4.585,1319 3.7,1320 61.435,1321 203,1322 237,1323 0.14,1324 279.329,1325 475.1,1326 673.322,1327 70434,1329 27.029,1330 0.693,1331 0.575,1332 27.029,1333 22.43,1334 19.064,1335 0.443,1336 0.307,1337 12.948,1338 18.132,1339 12.653,1340 10.492,1341 19.064,1342 13.202,1343 16.852,1344 0.291,1345 0.167,1346 16.852,1347 9.662,1348 13.592,1349 0.181,1350 0.087,1351 13.592,1352 6.514,1353 11.589,1354 0.116,1355 0.044,1356 11.589,1357 4.433,1358 9.482,1359 0.074,1360 0.023,1361 9.482,1362 2.997,1363 0.225,1364 120.524,1365 0.184,1366 35.705,1367 0.374,1368 202,1369 574.34,1370 224.661,1371 553.106,1372 763.27,1373 522,1374 234,1375 564.047,1376 257.636,1377 571.615,1378 835.26,1379 536,1380 7.444}
{0 CHEMBL1090598,1 1.881,2 9.931,3 1.286,4 1.654,5 112.12,6 8.712,7 0.5,8 4.048,9 4.155,10 3.913,11 3.579,12 5.129,13 3.544,14 4.615,15 4.787,16 4.229,17 3.969,18 5.889,19 3.922,20 4.779,21 4.947,22 4.226,23 4.08,24 5.919,25 4.012,26 4.848,27 5.06,28 4.219,29 4.122,30 5.946,31 4.005,32 4.784,33 4.992,34 4.27,35 4.154,36 5.784,37 4.026,38 4.745,39 4.905,40 4.212,41 4.116,42 5.859,43 4.024,44 4.755,45 4.95,46 4.138,47 4.004,48 5.857,49 3.924,50 4.783,51 5.022,52 4.001,53 3.898,54 5.88,55 3.811,56 0.156,57 0.862,58 11.516,59 4.684,60 20.504,61 5.203,62 0.682,63 1.335,64 24.646,65 8.118,66 64.556,67 9.033,68 0.662,69 1.535,70 33.747,71 9.485,72 60.714,73 10.741,74 0.719,75 1.557,76 32.145,77 10.897,78 83.309,79 12.657,80 0.507,81 1.54,82 37.932,83 12.274,84 37.114,85 13.986,86 0.49,87 1.53,88 29.254,89 10.459,90 35.788,91 11.745,92 0.524,93 1.457,94 26.475,95 8.521,96 48.019,97 11.31,98 0.709,99 1.351,100 27.529,101 8.373,102 57.39,103 11.218,104 29,105 47,106 0.315,107 0.654,108 0.805,109 0.805,110 0.805,111 0.805,112 3.409,113 1.087,114 -2.14,115 -2.19,116 -2.17,119 34,124 2,125 5,142 1,143 1,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,174 6,175 5,177 2,178 2,183 1,186 1,187 5,198 5,199 3,204 1,207 1,209 1,211 2,212 4,220 1,223 4,224 3,226 2,227 2,236 3,237 5,249 4,252 1,253 1,255 1,260 1,262 5,263 2,268 1,273 1,275 1318,276 19.074,277 19.074,278 19.074,279 19.074,280 19.074,281 16.929,282 21.848,283 11.029,284 19.894,285 15.821,286 15.821,287 15.821,288 15.821,289 15.821,290 12.401,291 27.964,292 5.307,293 17.213,294 3.763,295 1.735,296 0.83,297 0.83,298 0.83,299 0.83,300 4.1,304 1,305 1,306 615,307 3.742,310 63.747,311 248.28,314 117.307,318 1.593,319 37.63,322 1,323 0.83,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.85,330 64.5,331 288,332 4.738,333 4.372,334 7.059,335 4.234,336 3.301,337 4.581,338 0.86,339 11.378,340 3.059,341 4.633,342 3.331,343 6.752,344 4.138,345 3.21,346 4.503,347 0.8,348 11.102,349 2.973,350 4.151,351 2.89,352 6.106,353 3.724,354 2.772,355 3.776,356 0.657,357 8.936,358 2.637,359 3.841,360 2.817,361 5.852,362 3.522,363 2.605,364 3.233,366 8.206,367 2.384,368 3.662,369 2.498,370 5.18,371 3.201,372 2.297,373 3.036,375 6.357,376 2.075,377 3.346,378 2.33,379 5.04,380 2.984,381 2.054,382 2.591,384 6.043,385 1.895,386 3.013,387 2.206,388 4.688,389 2.662,390 1.755,391 2.121,393 4.817,394 1.583,395 2.882,396 1.798,397 4.392,398 2.367,399 1.452,400 2.027,402 4.171,403 1.322,404 2.52,405 1.547,406 4.216,407 2.168,408 1.259,409 1.5,411 3.487,412 1.132,413 2.5,414 1.421,415 3.754,416 2.095,417 1.233,418 1.487,420 2.942,421 1.05,422 2.386,423 1.256,424 3.414,425 1.952,426 1,427 1.373,428 2.275,429 0.946,430 2,431 1,432 3.399,433 1.917,434 1,435 1,436 2.136,437 0.916,438 1.94,439 0.639,440 3.247,441 1.421,442 0.556,443 0.753,445 1.611,446 0.472,447 1.183,448 0.471,449 2.885,450 0.775,451 -0.151,452 -0.19,454 -0.355,455 -0.139,456 1,457 0.021,458 2.726,459 0.634,460 -0.285,461 -0.336,463 -0.757,464 -0.261,465 13.967,466 0.482,467 0.949,468 0.033,469 38.5,470 1.328,471 18,472 0.621,473 20.5,474 0.707,475 25.729,476 0.887,477 32.233,478 0.645,479 29.259,480 1.009,481 7.177,482 0.247,483 6.632,484 0.229,485 0.148,486 0.06,487 0.308,493 0.726,494 1.605,495 0.767,496 1.233,497 0.746,498 0.982,499 0.962,500 0.85,501 0.927,502 0.794,503 0.554,504 0.715,505 1.274,506 1.316,507 1.312,508 1.259,509 1.142,510 1.071,511 1.026,512 0.835,513 0.795,514 0.734,515 1.266,516 0.954,517 0.555,518 1.034,519 1.128,520 1.194,521 0.462,522 0.913,523 0.791,524 1.17,525 1.241,526 1.372,527 0.752,528 1.262,529 0.727,530 1.372,531 0.895,532 1.18,533 0.569,534 1.216,535 0.881,536 0.982,537 0.748,538 0.785,539 0.696,540 0.977,541 7.5,542 0.211,543 3.556,544 1.757,545 1.578,546 1.323,547 0.895,548 0.484,549 0.522,550 0.377,551 9905,552 32786,553 2.061,554 42,556 17,558 2,559 2,564 1.726,565 1.902,566 3.292,567 0.399,569 1,573 94.061,574 1.881,575 3.909,576 4.814,577 4.814,578 4.814,579 4.814,580 2.777,581 4.349,582 4.824,583 3.481,584 1413.49,585 8.444,586 18788.8,588 1,591 282.193,592 1.636,593 4.769,594 0.234,595 0.009,596 0.076,597 0.038,598 0.038,599 0.029,600 0.02,601 0.012,602 0.015,603 0.013,604 0.484,605 0.33,606 0.88,607 1.107,608 145.289,609 -0.002,610 -0.355,611 0.175,612 -0.12,613 -0.159,614 -0.018,615 0.083,616 0.269,617 0.059,618 0.219,619 0.271,620 0.211,621 -0.25,622 -0.216,623 -0.232,624 -0.157,625 -0.133,626 -0.109,627 -0.119,628 0.154,629 0.06,630 0.174,631 -0.191,632 0.014,633 0.098,634 0.026,635 0.077,636 0.035,637 0.082,638 0.175,639 -0.013,640 -0.032,641 -0.235,642 -0.271,643 -0.055,644 -0.271,645 0.056,646 -0.328,647 -0.055,648 -0.264,649 0.037,650 -0.256,651 0.036,652 -0.033,653 0.04,654 0.005,655 0.065,656 -0.048,657 4.192,658 4.788,659 0.724,660 28.839,661 1.021,662 1.137,663 0.915,664 0.837,665 0.681,666 3.497,667 3.871,668 4.111,669 4.369,670 4.673,671 4.828,672 5.069,673 5.263,674 5.366,675 5.472,676 6.223,677 0.647,678 435.59,679 3.497,680 5.069,681 5.922,682 6.819,683 7.698,684 8.6,685 9.491,686 10.397,687 11.296,688 12.205,689 14,692 1,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 50,733 18,735 32,737 53,738 17,739 10,746 4,747 5,761 10,762 7,766 2,769 1,771 2,778 1,781 21,782 10,783 2,784 12,785 2,790 7,794 0.75,795 3,806 2,811 1,812 3,815 1,839 1,840 3,842 2,844 2,848 29,849 1,852 1,854 5,856 1,859 2,865 1,870 6,873 2,874 1,877 15.25,878 9.617,879 6.111,880 2.718,881 3.059,882 1.397,883 1,884 5.665,885 10.764,886 3.761,887 4.428,888 4.951,889 5.563,890 6.171,891 6.608,892 7.139,893 7.633,894 7.955,895 8.342,896 0.857,897 46,898 10.874,900 4.826,901 7.894,902 20.337,904 16.907,905 2.394,906 69.417,910 223.651,911 109.734,912 104.682,914 55.313,916 37.085,917 72.649,918 278.964,919 104.682,920 15.587,921 15.502,922 48.181,923 145.997,924 30.395,925 6.331,926 231.386,928 223.651,929 177.331,930 55.313,931 37.085,933 225.979,934 44.313,935 11,937 39.159,938 68.702,939 72.95,940 31.278,941 223.651,942 159.995,943 109.734,945 5.807,946 223.651,947 60.768,948 47.801,950 155.352,951 223.651,952 159.995,953 109.734,955 0.599,956 0.333,957 0.164,958 0.098,959 24,960 11,961 0.094,962 5,963 1,964 1.095,965 3.93,966 265.255,967 0.095,968 21,969 130.881,970 1,973 1,974 20.355,975 8.071,976 4.482,977 1.68,978 159.995,979 5.101,980 17.519,983 1.503,984 3.048,986 32.897,987 493.38,988 42,991 -3.276,993 23.576,999 51.033,1000 56.863,1001 0.333,1002 0.693,1003 0.853,1004 0.853,1005 0.853,1006 0.853,1007 5.03,1008 1.452,1009 5.958,1010 4.817,1011 4.554,1012 5.115,1013 1.459,1014 6.817,1015 4.391,1016 6.282,1017 1.259,1018 7.556,1019 4.171,1020 4.369,1021 5.263,1022 0.325,1023 7.96,1024 4.139,1025 7.643,1026 1.233,1027 9.262,1028 3.487,1029 6.244,1030 7.462,1031 1.074,1032 10.982,1033 5.937,1034 9.042,1035 1,1036 11.033,1037 2.942,1038 6.836,1039 8.396,1040 0.268,1041 12.907,1042 6.458,1043 10.476,1044 1,1045 12.844,1046 2.275,1047 8.253,1048 10.154,1049 0.807,1050 15.513,1051 7.803,1052 11.934,1053 0.556,1054 14.683,1055 2.136,1056 9.173,1057 11.411,1058 0.188,1059 17.733,1060 8.649,1061 13.409,1062 -0.151,1063 16.543,1064 1.611,1065 10.426,1066 13.012,1067 0.608,1068 20.209,1069 9.83,1070 3.301,1071 -0.285,1072 18.418,1073 -0.355,1074 11.489,1075 14.409,1076 0.125,1077 22.545,1078 10.816,1079 3.21,1080 11.378,1081 20.305,1082 -0.757,1083 12.685,1084 15.952,1085 0.458,1086 24.979,1087 11.939,1088 2.772,1089 11.102,1090 22.202,1091 4.581,1092 13.809,1093 17.41,1094 0.082,1095 27.363,1096 12.986,1097 2.605,1098 8.936,1099 24.105,1100 4.503,1101 14.987,1102 18.932,1103 0.343,1104 29.785,1105 14.089,1106 2.297,1107 8.206,1108 26.015,1109 3.776,1110 16.14,1111 20.418,1112 0.054,1113 32.188,1114 15.164,1115 2.054,1116 6.357,1117 27.93,1118 3.233,1119 17.314,1120 21.933,1121 0.256,1122 34.607,1123 16.263,1124 1.755,1125 6.043,1126 29.848,1127 3.036,1128 18.48,1129 23.433,1130 0.035,1131 37.02,1132 17.351,1133 9599,1134 17614,1135 20.978,1136 34.029,1137 49.096,1138 50.37,1139 49.823,1140 48.964,1141 48.985,1142 63.96,1143 4.635,1144 146.919,1145 44.89,1146 5.738,1147 6.372,1148 6.86,1149 5.37,1150 5.301,1151 7.581,1152 1.72,1153 18.624,1154 4.993,1155 15.918,1156 1.534,1157 1.574,1158 1.557,1159 1.53,1160 1.531,1161 1.999,1162 0.145,1163 4.591,1164 1.403,1165 4.107,1166 4.126,1167 4.722,1168 4.078,1169 7.716,1170 4.027,1171 3.956,1172 3.934,1173 4.328,1174 3.915,1175 6.999,1176 3.781,1177 3.805,1178 3.853,1179 3.824,1180 3.671,1181 5.245,1182 3.677,1183 3.724,1184 3.768,1185 3.643,1186 3.523,1187 5.014,1188 3.532,1189 3.353,1190 3.41,1191 3.362,1192 3.162,1193 4.616,1194 3.17,1195 3.153,1196 3.242,1197 3.066,1198 2.941,1199 4.577,1200 2.922,1201 3.111,1202 3.206,1203 2.898,1204 2.93,1205 4.298,1206 2.91,1207 3.007,1208 3.093,1209 2.866,1210 2.775,1211 4.037,1212 2.788,1213 0.148,1214 0.137,1215 0.221,1216 0.132,1217 0.103,1218 4.738,1219 0.143,1220 4.372,1221 0.027,1222 7.059,1223 0.356,1224 4.234,1225 0.096,1226 3.301,1227 4.581,1228 0.86,1229 11.378,1230 3.059,1231 1.888,1232 1.853,1233 1.958,1234 2.056,1235 1.217,1236 2.032,1237 1.787,1238 1.808,1239 1.863,1240 1.939,1241 1.136,1242 1.995,1243 1.709,1244 1.658,1245 1.788,1246 1.93,1247 0.945,1248 1.914,1249 1.572,1250 1.531,1251 1.657,1252 1.764,1253 0.838,1254 1.745,1255 1.459,1256 1.46,1257 1.549,1258 1.561,1259 0.825,1260 1.617,1261 1.153,1262 1.064,1263 1.513,1264 1.378,1265 0.743,1266 1.43,1267 1.141,1268 1.045,1269 1.444,1270 1.376,1271 0.585,1272 1.429,1273 1.003,1274 0.93,1275 1.238,1276 1.291,1277 0.27,1278 1.294,1279 4.174,1281 5.533,1282 2.398,1283 7.074,1284 4.727,1285 8.694,1286 6.843,1287 10.357,1289 2.754,1293 5.59,1295 2.977,1297 5.468,1300 3.476,1305 32.356,1306 94.061,1307 195.438,1308 240.683,1309 240.683,1310 240.683,1311 240.683,1312 53.539,1313 7.704,1314 127.43,1315 164.05,1316 23,1317 12.723,1318 4.248,1319 3.459,1320 44.358,1321 108,1322 113,1323 0.205,1324 205.586,1325 342.43,1326 493.389,1327 20993,1329 20.596,1330 0.71,1331 0.61,1332 21.199,1333 17.702,1334 13.809,1335 0.432,1336 0.362,1337 8.969,1338 11.823,1339 8.488,1340 6.979,1341 15.111,1342 11.599,1343 13.578,1344 0.289,1345 0.212,1346 15.649,1347 9.972,1348 10.725,1349 0.179,1350 0.116,1351 12.311,1352 6.956,1353 8.374,1354 0.107,1355 0.059,1356 9.6,1357 4.572,1358 7.268,1359 0.069,1360 0.033,1361 8.58,1362 3.482,1363 0.314,1364 101.103,1365 0.218,1366 27.11,1367 0.589,1368 158,1369 524.11,1370 237.365,1371 539.273,1372 729.39,1373 500,1374 186,1375 494.258,1376 269.583,1377 547.045,1378 796.61,1379 509,1380 9}
{0 CHEMBL1090599,1 1.759,2 9.821,3 0.971,4 0.943,5 107.75,6 8.154,7 0.516,8 4.018,9 4.141,10 3.704,11 3.519,12 5.139,13 3.505,14 4.565,15 4.755,16 4.098,17 3.911,18 5.666,19 3.875,20 4.72,21 4.902,22 4.144,23 4.023,24 5.804,25 3.967,26 4.785,27 5.005,28 4.094,29 4.071,30 5.824,31 3.967,32 4.759,33 4.978,34 4.145,35 4.11,36 5.709,37 3.99,38 4.709,39 4.878,40 4.113,41 4.081,42 5.779,43 3.989,44 4.728,45 4.932,46 3.993,47 3.963,48 5.774,49 3.889,50 4.743,51 4.995,52 3.812,53 3.836,54 5.752,55 3.757,56 0.082,57 0.818,58 9.6,59 4.112,60 9.43,61 5.166,62 0.478,63 1.27,64 21.151,65 6.982,66 31.362,67 8.758,68 0.494,69 1.46,70 28.095,71 7.854,72 38.804,73 10.321,74 0.514,75 1.493,76 27.751,77 9.619,78 54.344,79 12.427,80 0.407,81 1.486,82 34.894,83 11.283,84 29.896,85 13.765,86 0.4,87 1.481,88 29.083,89 10.006,90 26.482,91 11.716,92 0.395,93 1.4,94 25.72,95 8.059,96 35.49,97 11.265,98 0.536,99 1.285,100 26.198,101 7.502,102 44.844,103 11.025,104 20,105 44,106 0.297,107 0.648,108 0.811,109 0.811,110 0.811,111 0.811,112 3.375,113 0.944,114 -2.78,115 -2.8,116 -2.71,119 36.7,120 1,124 1,125 5,142 1,143 1,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,174 4,175 7,177 2,178 2,183 1,186 1,187 5,198 5,199 3,204 1,207 1,209 1,211 2,212 2,220 3,223 4,224 3,226 2,227 2,236 2,237 6,249 2,250 2,252 1,253 1,255 1,260 1,262 5,263 1,268 1,271 1,273 1,275 1218,276 18.809,277 18.809,278 18.809,279 18.809,280 18.809,281 16.836,282 21.631,283 11.048,284 19.574,285 15.321,286 15.321,287 15.321,288 15.321,289 15.321,290 12.228,291 27.238,292 5.309,293 16.581,294 3.856,295 1.771,296 0.806,297 0.806,298 0.806,299 0.806,300 4.071,304 1,305 1,306 590,307 3.317,310 60.822,311 236.215,314 111.51,318 1.548,319 28.135,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 61.5,331 275,332 4.638,333 3.661,334 6.753,335 4.15,336 3.224,337 4.577,338 1.943,339 11.114,340 2.982,341 4.155,342 3.328,343 6.107,344 3.738,345 2.788,346 3.777,347 0.86,348 8.938,349 2.647,350 3.913,351 2.878,352 5.895,353 3.654,354 2.71,355 3.253,356 0.8,357 8.314,358 2.559,359 3.76,360 2.81,361 5.74,362 3.462,363 2.527,364 3.04,365 0.736,366 7.536,367 2.35,368 3.66,369 2.478,370 5.08,371 3.193,372 2.287,373 2.976,374 0.079,375 6.134,376 2.069,377 3.29,378 2.325,379 5.026,380 2.913,381 1.972,382 2.533,384 5.802,385 1.838,386 3.013,387 2.193,388 4.683,389 2.646,390 1.737,391 2.119,393 4.807,394 1.568,395 2.868,396 1.779,397 4.379,398 2.346,399 1.417,400 2.014,402 4.105,403 1.309,404 2.5,405 1.547,406 3.756,407 2.097,408 1.235,409 1.5,411 2.944,412 1.054,413 2.392,414 1.42,415 3.501,416 1.988,417 1.008,418 1.378,420 2.322,421 0.969,422 2.321,423 1.256,424 3.414,425 1.952,426 1,427 1.205,428 2.275,429 0.946,430 2,431 1,432 3.397,433 1.917,434 1,435 1,436 2.136,437 0.916,438 1.94,439 0.638,440 3.247,441 1.421,442 0.555,443 0.753,445 1.608,446 0.472,447 1.183,448 0.342,449 2.764,450 0.774,451 -0.152,452 -0.192,454 -0.356,455 -0.14,456 0.993,457 0.033,458 2.609,459 0.632,460 -0.288,461 -0.34,463 -0.76,464 -0.265,465 13.3,466 0.475,467 0.75,468 0.027,469 36.5,470 1.304,471 16.5,472 0.589,473 20,474 0.714,475 24.391,476 0.871,477 30.5,478 0.622,479 26.815,480 0.958,481 7.093,482 0.253,483 6.415,484 0.229,485 0.13,487 0.361,493 0.875,494 1.557,495 0.72,496 1.086,497 0.725,498 0.968,499 1.074,500 0.831,501 0.793,502 0.683,503 0.605,504 0.695,505 1.227,506 1.319,507 1.173,508 1.193,509 1.105,510 1.039,511 0.905,512 0.89,513 0.932,514 0.882,515 1.18,516 0.973,517 0.584,518 1.026,519 1.245,520 1.246,521 0.498,522 0.913,523 0.797,524 1.188,525 1.484,526 1.547,527 0.749,528 1.289,529 0.832,530 1.383,531 1.027,532 1.278,533 0.664,534 1.235,535 0.993,536 1.013,537 0.835,538 0.863,539 0.781,540 1.006,541 6,542 0.153,543 3.111,544 1.632,545 1.418,546 1.261,547 0.758,548 0.4,549 0.417,550 0.297,551 9072,552 26934,553 2.094,554 42.9,556 14,558 2,559 2,560 3,564 1.718,565 1.953,566 3.285,567 0.353,569 1,573 86.172,574 1.759,575 3.844,576 4.808,577 4.808,578 4.808,579 4.808,580 2.768,581 4.45,582 4.772,583 3.449,584 1303.75,585 8.343,586 16877.7,588 1,591 275.121,592 1.432,593 4.736,594 0.194,595 0.008,596 0.071,597 0.037,598 0.035,599 0.029,600 0.018,601 0.011,602 0.013,603 0.011,604 0.425,605 0.33,606 1,607 1.088,608 138.57,609 -0.089,610 -0.34,611 0.071,612 -0.081,613 -0.077,614 -0.026,615 -0.008,616 0.277,617 0.152,618 0.291,619 0.107,620 0.23,621 -0.181,622 -0.217,623 -0.107,624 -0.113,625 -0.114,626 -0.083,627 -0.043,628 0.139,629 0.028,630 0.119,631 -0.132,632 0.012,633 0.093,634 0.034,635 0.07,636 0.055,637 0.081,638 0.172,639 0.014,640 -0.022,641 -0.297,642 -0.316,643 -0.031,644 -0.282,645 0.008,646 -0.335,647 -0.129,648 -0.314,649 0.01,650 -0.271,651 -0.033,652 -0.065,653 -0.025,654 -0.053,655 0.027,656 -0.07,657 1.642,658 4.601,659 0.75,660 27.786,661 1.013,662 1.137,663 1.553,664 2.411,665 0.672,666 3.466,667 3.807,668 4.078,669 4.357,670 4.654,671 4.812,672 5.043,673 5.226,674 5.328,675 5.421,676 6.074,677 0.642,678 399.53,679 3.466,680 5.017,681 5.872,682 6.758,683 7.639,684 8.534,685 9.428,686 10.331,687 11.232,688 12.139,689 14.3,693 1,695 1,696 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 49,733 17,735 31,737 52,738 18,739 10,746 4,747 5,752 1,761 11,762 7,766 1,771 1,775 1,778 1,781 21,782 9,783 2,784 10,785 1,790 7,794 0.75,795 2,806 2,811 1,812 3,815 1,827 1,839 1,840 3,842 1,844 2,848 28,849 1,854 5,856 1,859 2,865 1,870 4.1,873 1,874 1,877 14.333,878 9.533,879 6.056,880 2.804,881 3.025,882 1.396,883 0.992,884 5.488,885 10.668,886 3.714,887 4.327,888 4.923,889 5.555,890 6.159,891 6.596,892 7.117,893 7.6,894 7.921,895 8.297,896 0.857,897 44,898 10.322,900 4.361,901 7.756,902 19.689,904 16.029,905 2.256,906 63.167,910 223.651,911 110.266,912 106.288,914 36.145,916 31.278,917 78.988,918 259.796,919 106.288,920 17.222,921 18.626,922 42.373,923 131.534,924 28.877,925 6.331,926 231.386,928 223.651,929 185.276,930 36.145,931 31.278,933 225.979,934 25.145,935 11,937 49.589,938 66.216,939 67.142,940 31.278,941 223.651,942 142.433,943 110.266,946 223.651,947 65.473,948 51.041,950 136.184,951 223.651,952 142.433,953 110.266,955 0.587,956 0.335,957 0.171,958 0.102,959 22,960 10,961 0.077,962 4,963 1,964 1.095,965 3.896,966 251.666,967 0.095,968 21,969 126.606,970 1,974 19.124,975 8.035,976 4.145,977 1.856,978 142.433,979 5.277,980 17.647,983 1.617,984 3.407,986 32.897,987 476.349,988 40,993 11.601,997 0.025,999 49.629,1000 55.733,1001 0.313,1002 0.685,1003 0.856,1004 0.856,1005 0.856,1006 0.856,1007 4.963,1008 1.417,1009 5.866,1010 4.807,1011 4.489,1012 5.014,1013 2.368,1014 6.683,1015 4.338,1016 6.172,1017 1.235,1018 7.43,1019 4.105,1020 4.111,1021 4.89,1022 1.738,1023 7.576,1024 3.914,1025 7.484,1026 1.008,1027 9.09,1028 2.944,1029 6.089,1030 7.236,1031 3.068,1032 10.686,1033 5.799,1034 8.831,1035 1,1036 10.808,1037 2.322,1038 6.509,1039 7.948,1040 3.151,1041 12.413,1042 6.167,1043 10.211,1044 1,1045 12.562,1046 2.275,1047 7.973,1048 9.796,1049 4.161,1050 15.045,1051 7.548,1052 11.614,1053 0.555,1054 14.342,1055 2.136,1056 8.762,1057 10.911,1058 4.551,1059 17.137,1060 8.274,1061 13.037,1062 -0.152,1063 16.141,1064 1.608,1065 10.021,1066 12.557,1067 5.397,1068 19.606,1069 9.456,1070 3.224,1071 -0.288,1072 17.955,1073 -0.356,1074 10.99,1075 13.878,1076 5.925,1077 21.865,1078 10.354,1079 2.788,1080 11.114,1081 19.781,1082 -0.76,1083 12.168,1084 15.44,1085 6.685,1086 24.28,1087 11.455,1088 2.71,1089 8.938,1090 21.617,1091 4.577,1092 13.226,1093 16.862,1094 7.279,1095 26.615,1096 12.437,1097 2.527,1098 8.314,1099 23.461,1100 3.777,1101 14.377,1102 18.392,1103 7.993,1104 29.015,1105 13.51,1106 2.287,1107 7.536,1108 25.313,1109 3.253,1110 15.481,1111 19.863,1112 8.621,1113 31.387,1114 14.535,1115 1.972,1116 6.134,1117 27.172,1118 3.04,1119 16.626,1120 21.382,1121 9.312,1122 33.785,1123 15.6,1124 1.737,1125 5.802,1126 29.035,1127 2.976,1128 17.754,1129 22.876,1130 9.957,1131 36.174,1132 16.648,1133 8766,1134 15236,1135 20.69,1136 32.926,1137 47.35,1138 47.83,1139 48.149,1140 46.884,1141 46.919,1142 60.25,1143 8.836,1144 136.07,1145 43.356,1146 5.638,1147 5.661,1148 6.555,1149 5.286,1150 5.224,1151 7.577,1152 3.352,1153 18.359,1154 4.911,1155 14.06,1156 1.527,1157 1.543,1158 1.553,1159 1.512,1160 1.514,1161 1.944,1162 0.285,1163 4.389,1164 1.399,1165 4.093,1166 4.119,1167 4.337,1168 4.064,1169 7.428,1170 4.021,1171 3.814,1172 3.865,1173 3.826,1174 3.675,1175 5.245,1176 3.686,1177 3.741,1178 3.796,1179 3.65,1180 3.528,1181 5.014,1182 3.543,1183 3.649,1184 3.703,1185 3.568,1186 3.418,1187 4.616,1188 3.442,1189 3.3,1190 3.36,1191 3.334,1192 3.107,1193 4.578,1194 3.122,1195 3.128,1196 3.225,1197 2.974,1198 2.941,1199 4.308,1200 2.91,1201 3.111,1202 3.206,1203 2.876,1204 2.9,1205 4.072,1206 2.891,1207 3.007,1208 3.093,1209 2.866,1210 2.774,1211 3.962,1212 2.786,1213 0.15,1214 0.118,1215 0.218,1216 0.134,1217 0.104,1218 4.638,1219 0.148,1220 3.661,1221 0.063,1222 6.753,1223 0.359,1224 4.15,1225 0.096,1226 3.224,1227 4.577,1228 1.943,1229 11.114,1230 2.982,1231 1.888,1232 1.853,1233 1.958,1234 2.056,1235 1.217,1236 2.031,1237 1.71,1238 1.662,1239 1.867,1240 1.933,1241 1.041,1242 1.916,1243 1.669,1244 1.623,1245 1.836,1246 1.884,1247 0.943,1248 1.877,1249 1.56,1250 1.517,1251 1.675,1252 1.76,1253 0.825,1254 1.739,1255 1.381,1256 1.353,1257 1.578,1258 1.525,1259 0.744,1260 1.565,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.712,1266 1.429,1267 1.127,1268 1.026,1269 1.444,1270 1.375,1271 0.578,1272 1.427,1273 1.003,1274 0.93,1275 1.238,1276 1.291,1277 0.27,1278 1.294,1279 4.143,1281 5.476,1282 2.398,1283 6.999,1284 4.727,1285 8.606,1286 6.843,1287 10.262,1289 3.351,1293 5.601,1295 3.405,1297 5.486,1300 3.894,1305 31.454,1306 86.172,1307 188.366,1308 235.611,1309 235.611,1310 235.611,1311 235.611,1312 41.773,1313 7.643,1314 110.36,1315 138.6,1316 23,1317 12.658,1318 4.17,1319 3.322,1320 42.078,1321 101,1322 107,1323 0.207,1324 197.123,1325 329.79,1326 472.741,1327 19502,1329 19.673,1330 0.703,1331 0.592,1332 20.027,1333 16.569,1334 13.508,1335 0.436,1336 0.315,1337 8.823,1338 12.339,1339 8.508,1340 7.008,1341 13.916,1342 9.754,1343 12.532,1344 0.285,1345 0.176,1346 13.174,1347 7.739,1348 10.403,1349 0.179,1350 0.098,1351 11.191,1352 5.681,1353 8.318,1354 0.108,1355 0.054,1356 9.27,1357 4.125,1358 7.168,1359 0.069,1360 0.028,1361 8.082,1362 2.945,1363 0.317,1364 89.956,1365 0.22,1366 26.332,1367 0.597,1368 150,1369 473.514,1370 194.065,1371 472.498,1372 646.51,1373 444,1374 177,1375 459.706,1376 220.247,1377 479.418,1378 704.47,1379 449,1380 8.301}
{0 CHEMBL1090600,1 1.696,2 8.808,3 1.326,4 1.759,5 102.465,6 7.905,7 0.552,8 3.975,9 4.108,10 3.637,11 3.489,12 5.074,13 3.464,14 4.518,15 4.705,16 4.065,17 3.908,18 5.594,19 3.86,20 4.726,21 4.922,22 4.155,23 4.051,24 5.773,25 3.966,26 4.813,27 5.063,28 4.006,29 4.075,30 5.738,31 3.934,32 4.666,33 4.883,34 3.998,35 4.012,36 5.603,37 3.904,38 4.627,39 4.802,40 4.061,41 3.998,42 5.723,43 3.922,44 4.722,45 4.941,46 3.896,47 3.946,48 5.696,49 3.858,50 4.693,51 4.926,52 3.69,53 3.884,54 5.639,55 3.759,56 0.065,57 0.79,58 10.001,59 3.964,60 12.025,61 5.175,62 0.339,63 1.246,64 20.553,65 7.138,66 29.527,67 9.134,68 0.397,69 1.503,70 28.097,71 7.971,72 34.749,73 11.082,74 0.437,75 1.518,76 36.918,77 11.273,78 40.577,79 14.46,80 0.268,81 1.371,82 27.609,83 9.471,84 22.71,85 12.403,86 0.353,87 1.402,88 25.037,89 8.185,90 28.997,91 10.297,92 0.398,93 1.38,94 26.758,95 7.453,96 31.164,97 10.806,98 0.255,99 1.26,100 23.644,101 8.384,102 35.164,103 12.028,104 18,105 43,106 0.289,107 0.65,108 0.776,109 0.776,110 0.776,111 0.776,112 3.305,113 0.957,114 -2.96,115 -2.96,116 -2.86,119 36.2,120 2,125 4,130 1,142 1,143 1,145 2,146 1,147 1,149 1,150 1,152 2,163 2,164 2,165 2,174 3,175 5,177 2,178 2,180 2,183 2,185 2,186 1,187 3,192 2,195 4,197 2,198 5,199 3,204 1,207 1,209 1,211 1,212 2,214 1,215 1,220 1,223 2,224 7,226 4,227 4,236 1,237 4,242 1,245 2,247 1,252 1,253 1,255 1,260 1,262 2,263 6,265 3,266 3,268 1,273 1,275 952,276 17.212,277 17.212,278 17.212,279 17.212,280 17.212,281 15.46,282 20.761,283 9.953,284 17.913,285 14.354,286 14.354,287 14.354,288 14.354,289 14.354,290 11.589,291 30.887,292 4.796,293 15.537,294 3.859,295 1.746,296 1.011,297 1.011,298 1.011,299 1.011,300 3.999,303 1,304 1,305 1,306 496,307 3.162,310 54.497,311 210.939,314 99.15,318 1.299,319 23.697,322 1,323 1,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.88,330 56.5,331 229,332 4.688,333 3.633,334 7.143,335 4.328,336 3.382,337 4.595,338 0.86,339 11.887,340 3.201,341 4.325,342 3.274,343 6.708,344 4.058,345 3.114,346 3.803,347 0.8,348 10.854,349 2.928,350 4.1,351 2.841,352 6.104,353 3.708,354 2.756,355 3.5,356 0.522,357 8.922,358 2.622,359 3.699,360 2.646,361 5.773,362 3.406,363 2.48,364 3.051,366 7.862,367 2.291,368 3.644,369 2.35,370 5.045,371 3.175,372 2.267,373 2.955,375 6.097,376 2.054,377 3.015,378 2.232,379 4.711,380 2.709,381 1.795,382 2.169,384 4.877,385 1.635,386 2.965,387 1.588,388 4.536,389 2.423,390 1.524,391 2.09,393 4.509,394 1.36,395 2.654,396 1.539,397 4.344,398 2.177,399 1.259,400 1.708,402 3.821,403 1.14,404 2.5,405 1.296,406 3.754,407 2.092,408 1.23,409 1.5,411 2.942,412 1.048,413 2.385,414 1.256,415 3.414,416 1.952,417 1,418 1.372,420 2.275,421 0.946,422 2,423 1,424 3.399,425 1.917,426 1,427 1,428 2.136,429 0.916,430 1.939,431 0.629,432 3.247,433 1.421,434 0.552,435 0.751,436 1.605,437 0.471,438 1.171,439 -0.049,440 2.831,441 0.747,442 -0.167,443 -0.212,445 -0.382,446 -0.152,447 0.927,448 -0.273,449 2.676,450 0.503,451 -0.411,452 -0.502,454 -1.121,455 -0.373,456 0.576,457 -0.36,458 2.6,459 0.113,460 -0.814,461 -0.966,463 -2.096,464 -0.744,465 12.467,466 0.479,467 0.843,468 0.032,469 33.25,470 1.279,471 15,472 0.577,473 18.25,474 0.702,475 24.206,476 0.931,477 28.333,478 0.603,479 22.989,480 0.884,481 6.068,482 0.233,483 6.347,484 0.244,485 0.144,486 0.04,487 0.313,493 1.027,494 1.405,495 0.759,496 0.997,497 1.208,498 0.923,499 1.116,500 0.908,501 0.755,502 0.738,503 0.674,504 0.724,505 1.169,506 1.3,507 1.085,508 1.136,509 1.126,510 1.061,511 0.667,512 0.918,513 1.293,514 1.182,515 0.75,516 0.952,517 0.63,518 1.128,519 1.038,520 1.138,521 0.534,522 0.981,523 0.944,524 1.175,525 1.292,526 1.345,527 0.84,528 1.213,529 1.226,530 1.161,531 1.156,532 1.142,533 1.078,534 1.186,535 0.908,536 1.197,537 0.912,538 1.143,539 1.084,540 1.296,541 6.5,542 0.111,543 3.333,544 1.438,545 1.748,546 1.219,547 0.895,548 0.484,549 0.363,550 0.208,551 7210,552 19457,553 2.092,554 44.7,556 9,558 2,559 4,561 6,564 1.699,565 1.938,566 3.104,567 1.811,568 1,569 1,573 79.689,574 1.696,575 3.809,576 4.544,577 4.544,578 4.544,579 4.544,580 2.519,581 4.056,582 4.669,583 3.268,584 1062.25,585 8.137,586 12864.3,588 1,591 261.066,592 1.619,593 4.616,594 0.224,595 0.016,596 0.078,597 0.034,598 0.045,599 0.03,600 0.022,601 0.014,602 0.013,603 0.012,604 0.488,605 0.33,606 1,607 0.777,608 124.246,609 -0.13,610 -0.179,611 0.061,612 0.01,613 -0.236,614 0.032,615 0.025,616 0.201,617 0.189,618 0.265,619 0.218,620 0.229,621 -0.136,622 -0.188,623 -0.028,624 -0.069,625 -0.147,626 -0.099,627 0.083,628 0.11,629 -0.043,630 0.015,631 0.041,632 0.09,633 0.093,634 -0.079,635 0.033,636 -0.008,637 0.127,638 0.057,639 0.01,640 0.016,641 -0.232,642 -0.247,643 0.003,644 -0.256,645 -0.207,646 -0.096,647 -0.25,648 -0.213,649 -0.203,650 -0.255,651 -0.074,652 -0.241,653 -0.164,654 -0.272,655 -0.11,656 -0.317,657 1.682,658 2.31,659 0.808,660 22.095,661 1.006,662 1.139,663 1.726,664 2.979,665 0.67,666 3.401,667 3.784,668 4.043,669 4.331,670 4.654,671 4.828,672 5.004,673 5.193,674 5.288,675 5.318,676 5.485,677 0.633,678 371.52,679 3.401,680 4.977,681 5.838,682 6.744,683 7.633,684 8.545,685 9.447,686 10.363,687 11.272,688 12.191,689 14.9,690 1,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 47,733 16,735 29,737 50,738 17,739 10,746 4,747 5,752 2,761 10,762 7,763 1,777 1,778 1,781 21,782 8,783 4,784 9,785 1,790 7,794 0.75,795 1,806 2,811 1,812 3,815 1,833 1,839 1,840 3,842 1,844 2,848 26,849 2,854 4,856 1,859 1,860 1,865 1,870 2.1,874 1,877 13.417,878 9,879 5.444,880 2.683,881 2.996,882 1.399,883 0.99,884 4.509,885 10.505,886 3.638,887 4.287,888 4.908,889 5.555,890 6.178,891 6.632,892 7.106,893 7.594,894 7.93,895 8.261,896 0.833,897 42,898 9.581,900 4.106,901 7.663,902 18.408,904 15.336,905 2.163,906 56.25,910 200.109,911 103.884,912 136.061,914 11,916 31.278,917 72.607,918 211.109,919 136.061,920 17.65,921 46.293,922 42.373,923 101.684,924 28.877,925 6.331,926 207.844,928 200.109,929 208.667,930 11,931 31.278,933 131.81,934 70.627,935 11,937 86.082,938 53.115,939 67.142,940 31.278,941 200.109,942 147.061,943 103.884,946 200.109,947 58.663,948 48.346,950 143.936,951 200.109,952 147.061,953 103.884,955 0.599,956 0.333,957 0.172,958 0.107,959 23,960 10,961 0.06,962 3,963 1,964 1.095,965 3.672,966 233.067,967 0.095,968 21,969 112.211,970 1,974 17.527,975 6.689,976 3.527,977 1.924,978 147.061,979 5.34,980 17.673,983 1.647,984 3.52,986 65.794,987 451.054,988 37,999 47.302,1000 53.524,1001 0.305,1002 0.686,1003 0.818,1004 0.818,1005 0.818,1006 0.818,1007 4.913,1008 1.259,1009 5.878,1010 4.509,1011 4.466,1012 4.973,1013 1.382,1014 6.753,1015 4.316,1016 6.153,1017 1.23,1018 7.484,1019 3.821,1020 4.29,1021 4.934,1022 0.325,1023 7.934,1024 4.119,1025 7.493,1026 1,1027 9.2,1028 2.942,1029 6.172,1030 7.24,1031 0.994,1032 10.972,1033 5.905,1034 8.871,1035 1,1036 10.982,1037 2.275,1038 6.781,1039 8.005,1040 0.268,1041 12.938,1042 6.49,1043 10.28,1044 0.552,1045 12.806,1046 2.136,1047 8.204,1048 9.835,1049 0.751,1050 15.565,1051 7.836,1052 11.712,1053 -0.167,1054 14.658,1055 1.605,1056 9.142,1057 10.977,1058 0.188,1059 17.821,1060 8.738,1061 13.162,1062 -0.411,1063 16.531,1064 -0.382,1065 10.404,1066 12.614,1067 0.576,1068 20.323,1069 9.935,1070 3.382,1071 -0.814,1072 18.418,1073 -1.121,1074 11.484,1075 13.945,1076 0.125,1077 22.693,1078 10.969,1079 3.114,1080 11.887,1081 20.318,1082 -2.096,1083 12.692,1084 15.503,1085 0.44,1086 25.157,1087 12.117,1088 2.756,1089 10.854,1090 22.226,1091 4.595,1092 13.834,1093 16.929,1094 0.082,1095 27.575,1096 13.209,1097 2.48,1098 8.922,1099 24.142,1100 3.803,1101 15.027,1102 18.457,1103 0.334,1104 30.029,1105 14.345,1106 2.267,1107 7.862,1108 26.063,1109 3.5,1110 16.197,1111 19.93,1112 0.054,1113 32.468,1114 15.463,1115 1.795,1116 6.097,1117 27.99,1118 3.051,1119 17.389,1120 21.449,1121 0.252,1122 34.921,1123 16.599,1124 1.524,1125 4.877,1126 29.92,1127 2.955,1128 18.574,1129 22.946,1130 0.035,1131 37.371,1132 17.731,1133 6938,1134 11545,1135 19.186,1136 31.472,1137 45.208,1138 44.924,1139 45.187,1140 44.636,1141 44.717,1142 56.986,1143 4.363,1144 135.572,1145 41.225,1146 5.688,1147 5.633,1148 6.945,1149 5.46,1150 5.382,1151 7.595,1152 1.72,1153 19.182,1154 5.133,1155 12.994,1156 1.559,1157 1.549,1158 1.558,1159 1.539,1160 1.542,1161 1.965,1162 0.15,1163 4.675,1164 1.422,1165 4.099,1166 4.123,1167 4.342,1168 4.074,1169 5.246,1170 4.03,1171 3.819,1172 3.869,1173 3.828,1174 3.683,1175 5.071,1176 3.694,1177 3.746,1178 3.802,1179 3.651,1180 3.539,1181 4.958,1182 3.554,1183 3.584,1184 3.652,1185 3.469,1186 3.408,1187 4.616,1188 3.409,1189 3.177,1190 3.246,1191 3.251,1192 2.989,1193 4.568,1194 2.999,1195 3.111,1196 3.206,1197 2.9,1198 2.941,1199 4.22,1200 2.91,1201 2.989,1202 3.063,1203 2.866,1204 2.75,1205 3.962,1206 2.774,1207 2.874,1208 3.009,1209 2.813,1210 2.618,1211 3.962,1212 2.57,1213 0.162,1214 0.125,1215 0.246,1216 0.149,1217 0.117,1218 4.688,1219 0.158,1220 3.633,1221 0.03,1222 7.143,1223 0.41,1224 4.328,1225 0.11,1226 3.382,1227 4.595,1228 0.86,1229 11.887,1230 3.201,1231 1.888,1232 1.853,1233 1.961,1234 2.056,1235 1.217,1236 2.031,1237 1.737,1238 1.699,1239 1.916,1240 1.933,1241 1.112,1242 1.92,1243 1.706,1244 1.654,1245 1.856,1246 1.884,1247 0.943,1248 1.901,1249 1.559,1250 1.518,1251 1.651,1252 1.752,1253 0.825,1254 1.734,1255 1.155,1256 1.118,1257 1.513,1258 1.376,1259 0.744,1260 1.429,1261 1.153,1262 1.064,1263 1.417,1264 1.307,1265 0.49,1266 1.322,1267 1.002,1268 0.93,1269 1.279,1270 1.266,1271 0.469,1272 1.308,1273 0.934,1274 0.804,1275 1.213,1276 1.239,1277 0.221,1278 1.287,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.629,1286 6.88,1287 10.308,1289 3.989,1293 11.906,1295 2.963,1297 5.485,1300 2.235,1301 -0.432,1305 29.739,1306 79.689,1307 179.008,1308 213.556,1309 213.556,1310 213.556,1311 213.556,1312 37.115,1313 7.509,1314 116.07,1315 144.31,1316 23,1317 12.702,1318 4.087,1319 3.17,1320 37.667,1321 85,1322 95,1323 0.223,1324 186.462,1325 306.34,1326 446.728,1327 16276,1329 18.311,1330 0.704,1331 0.599,1332 18.665,1333 15.584,1334 12.415,1335 0.428,1336 0.319,1337 8.354,1338 11.417,1339 8.027,1340 6.629,1341 12.823,1342 9.248,1343 12.272,1344 0.285,1345 0.184,1346 12.872,1347 7.899,1348 9.687,1349 0.173,1350 0.102,1351 10.673,1352 5.689,1353 7.916,1354 0.106,1355 0.052,1356 8.836,1357 3.933,1358 6.975,1359 0.067,1360 0.028,1361 7.817,1362 2.868,1363 0.335,1364 82.41,1365 0.228,1366 24.481,1367 0.656,1368 144,1369 403.446,1370 185.129,1371 412.948,1372 574.97,1373 388,1374 171,1375 419.45,1376 214.595,1377 441.829,1378 652.87,1379 414,1380 8.155}
{0 CHEMBL1090601,1 1.836,2 10.781,3 2.682,4 7.194,5 123.827,6 9.012,7 0.611,8 4.092,9 4.185,10 3.973,11 3.709,12 5.204,13 3.666,14 4.634,15 4.773,16 4.302,17 4.104,18 5.929,19 4.054,20 4.828,21 4.99,22 4.347,23 4.207,24 6.002,25 4.139,26 4.827,27 5.01,28 4.295,29 4.225,30 5.96,31 4.123,32 4.819,33 5.004,34 4.349,35 4.254,36 5.874,37 4.138,38 4.793,39 4.94,40 4.379,41 4.239,42 5.946,43 4.146,44 4.831,45 5.014,46 4.213,47 4.144,48 5.926,49 4.069,50 4.766,51 4.97,52 4.105,53 4.053,54 5.861,55 3.971,56 0.133,57 0.859,58 10.234,59 5.111,60 20.739,61 5.12,62 0.518,63 1.397,64 21.811,65 8.912,66 61.98,67 9.103,68 0.595,69 1.64,70 28.537,71 10.346,72 59.572,73 10.918,74 0.526,75 1.661,76 27.907,77 11.167,78 58.404,79 12.281,80 0.433,81 1.628,82 35.258,83 12.818,84 43.327,85 13.738,86 0.443,87 1.65,88 29.36,89 11.492,90 35.918,91 11.689,92 0.496,93 1.635,94 29.487,95 10.31,96 46.534,97 11.648,98 0.479,99 1.483,100 23.848,101 9.319,102 49.193,103 11.674,104 18,105 53,106 0.301,107 0.652,108 0.787,109 0.824,110 0.824,111 0.824,112 3.503,113 1.052,114 -3.85,115 -3.81,116 -3.61,119 40.4,124 1,125 4,142 5,143 2,144 1,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,172 4,174 4,175 5,177 2,178 2,183 7,186 1,187 7,195 6,198 5,199 8,204 1,207 3,209 1,211 1,212 6,220 3,223 2,224 12,226 2,227 2,232 1,236 1,237 7,245 2,249 2,250 5,252 1,253 1,255 1,258 1,260 1,262 6,263 6,268 1,271 1,273 1,275 1644,276 21.436,277 21.436,278 21.436,279 21.436,280 21.436,281 18.683,282 16.769,283 12.433,284 22.362,285 17.826,286 17.826,287 17.826,288 17.826,289 17.826,290 13.514,291 19.846,292 5.975,293 19.397,294 3.864,295 1.718,296 0.892,297 0.668,298 0.668,299 0.668,300 4.21,304 1,305 1,306 755,307 3.317,310 66.654,311 370.171,314 124.423,318 1.684,319 39.132,322 1,323 0.67,324 1,325 0.8,327 0.83,328 1,329 0.76,330 70,331 345,332 4.809,333 5.18,334 7.118,335 4.21,336 3.329,337 4.675,338 2.95,339 11.704,340 3.006,341 4.651,342 3.329,343 6.766,344 4.146,345 3.23,346 4.586,347 0.86,348 11.158,349 2.873,350 4.194,351 2.922,352 6.166,353 3.771,354 2.821,355 3.813,356 0.8,357 9.169,358 2.662,359 4.038,360 2.83,361 6.093,362 3.667,363 2.722,364 3.594,366 8.874,367 2.558,368 3.7,369 2.657,370 5.698,371 3.346,372 2.406,373 3.096,375 7.585,376 2.251,377 3.647,378 2.447,379 5.045,380 3.169,381 2.254,382 3.023,384 6.093,385 2.053,386 3.251,387 2.322,388 4.74,389 2.769,390 1.829,391 2.544,393 5.105,394 1.713,395 3.013,396 2.185,397 4.675,398 2.642,399 1.716,400 2.132,402 4.805,403 1.575,404 2.91,405 1.577,406 4.399,407 2.367,408 1.442,409 2.064,411 4.183,412 1.325,413 2.661,414 1.539,415 4.134,416 2.131,417 1.235,418 1.721,420 3.264,421 1.12,422 2.517,423 1.387,424 3.753,425 2.097,426 1.156,427 1.525,428 2.94,429 1.055,430 2.5,431 1.256,432 3.477,433 1.973,434 1.017,435 1.5,436 2.464,437 0.958,438 2.383,439 1.02,440 3.414,441 1.952,442 1,443 1.37,445 2.275,446 0.946,447 2,448 1,449 3.398,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.939,457 0.655,458 3.247,459 1.421,460 0.552,461 0.751,463 1.603,464 0.471,465 15.567,466 0.486,467 0.963,468 0.03,469 46,470 1.438,471 24,472 0.75,473 22,474 0.688,475 26.614,476 0.832,477 33.633,478 0.647,479 35.604,480 1.113,481 8.57,482 0.268,483 6.811,484 0.213,485 0.101,486 0.054,487 0.315,493 0.7,494 1.292,495 0.76,496 1.062,497 0.741,498 0.863,499 0.96,500 0.862,501 0.941,502 0.866,503 0.588,504 0.777,505 1.212,506 1.115,507 1.022,508 0.965,509 1.103,510 0.935,511 0.853,512 0.879,513 1.012,514 0.939,515 0.93,516 0.986,517 0.699,518 1.013,519 1.007,520 1.022,521 0.652,522 0.918,523 0.778,524 1.171,525 1.23,526 1.34,527 0.712,528 1.174,529 0.95,530 1.215,531 1.076,532 1.157,533 0.821,534 1.121,535 0.717,536 1.055,537 0.721,538 0.903,539 0.566,540 1.043,541 7.5,542 0.272,543 4,544 1.882,545 1.823,546 1.605,547 0.8,548 0.601,549 0.385,550 0.384,551 13535,552 42997,553 2.127,554 38.5,556 16,558 2,559 2,564 1.751,565 1.99,566 3.408,567 0.301,569 1,573 95.481,574 1.836,575 3.983,576 4.809,577 5.032,578 5.032,579 5.032,580 2.891,581 4.304,582 4.968,583 3.582,584 1776.61,585 8.729,586 25191.9,591 296.423,592 1.54,593 4.926,594 0.208,595 0.009,596 0.075,597 0.036,598 0.036,599 0.031,600 0.015,601 0.013,602 0.009,603 0.01,604 0.443,605 0.33,606 0.63,607 0.688,608 165.535,609 -0.003,610 -0.157,611 0.149,612 -0.029,613 -0.164,614 0.028,615 0.044,616 0.218,617 0.011,618 0.134,619 0.233,620 0.128,621 -0.194,622 -0.085,623 -0.064,624 0.019,625 -0.109,626 -0.002,627 -0.052,628 0.157,629 -0.055,630 0.049,631 -0.083,632 -0.02,633 0.011,634 -0.008,635 0.082,636 0.081,637 0.024,638 0.117,639 0.005,640 -0.086,641 -0.145,642 -0.234,643 -0.013,644 -0.212,645 -0.095,646 -0.19,647 -0.151,648 -0.208,649 -0.096,650 -0.171,651 0.067,652 -0.094,653 0.047,654 -0.068,655 0.058,656 -0.079,657 4.221,658 5.016,659 0.844,660 32.438,661 1.018,662 1.122,663 2.616,664 6.846,665 0.712,666 3.611,667 3.989,668 4.263,669 4.554,670 4.868,671 5.03,672 5.257,673 5.468,674 5.645,675 5.793,676 6.623,677 0.68,678 468.61,679 3.611,680 5.187,681 6.052,682 6.956,683 7.843,684 8.752,685 9.65,686 10.562,687 11.468,688 12.382,689 11.5,693 1,695 1,699 4,703 2,704 7,705 4,708 1,709 7,711 22,722 1,726 1,731 52,733 24,734 1,735 36,737 56,738 21,739 16,740 2,741 4,746 5,747 6,761 16,762 5,766 2,769 1,771 2,778 1,781 20,782 9,783 2,784 11,785 2,790 6,794 0.8,795 3,806 2,811 1,812 4,815 1,839 1,840 4,842 2,844 1,848 32,849 1,851 1,854 4,856 1,859 1,865 1,870 5.8,873 2,874 1,877 16.083,878 9.75,879 6.722,880 2.919,881 4.017,882 1.488,883 1.036,884 5.536,885 12.254,886 3.912,887 4.598,888 5.191,889 5.831,890 6.461,891 6.918,892 7.468,893 7.993,894 8.462,895 8.927,896 1,897 53,898 11.99,900 5.413,901 7.852,902 22.484,904 19.059,905 2.352,906 75.25,910 211.88,911 142.111,912 103.164,914 55.313,916 37.324,917 104.788,918 267.193,919 103.164,920 7.19,921 13.396,922 86.324,923 145.997,924 33.613,925 6.331,926 219.615,928 211.88,929 207.951,930 55.313,931 37.324,933 214.208,934 44.313,935 11,937 35.534,938 102.947,939 73.188,940 31.278,941 211.88,942 158.476,943 142.111,945 6.046,946 211.88,947 63.399,948 75.791,950 155.352,951 211.88,952 158.476,953 142.111,955 0.596,956 0.337,957 0.177,958 0.105,959 28,960 12,961 0.071,962 4,963 1,964 1.074,965 4.207,966 313.467,967 0.074,968 27,969 150,970 1,973 1,974 21.197,975 8.358,976 4.341,977 1.713,978 158.476,979 12.123,980 17.716,983 1.543,984 4.205,986 32.897,987 512.468,988 49,991 -3.305,993 24.033,999 52.931,1000 58.364,1001 0.322,1002 0.699,1003 0.844,1004 0.883,1005 0.883,1006 0.883,1007 5.173,1008 1.716,1009 6.08,1010 5.105,1011 4.673,1012 5.286,1013 3.037,1014 6.946,1015 4.51,1016 6.429,1017 1.442,1018 7.677,1019 4.805,1020 4.443,1021 5.366,1022 0.325,1023 8.078,1024 4.155,1025 7.786,1026 1.235,1027 9.383,1028 4.183,1029 6.361,1030 7.641,1031 5.037,1032 11.126,1033 6.024,1034 9.185,1035 1.156,1036 11.154,1037 3.264,1038 6.929,1039 8.534,1040 0.268,1041 13.055,1042 6.447,1043 10.618,1044 1.017,1045 12.966,1046 2.94,1047 8.368,1048 10.336,1049 7.186,1050 15.675,1051 7.834,1052 12.076,1053 1,1054 14.807,1055 2.464,1056 9.276,1057 11.578,1058 0.188,1059 17.905,1060 8.597,1061 13.553,1062 1,1063 16.668,1064 2.275,1065 10.541,1066 13.207,1067 9.348,1068 20.393,1069 9.792,1070 3.329,1071 0.552,1072 18.545,1073 2.136,1074 11.6,1075 14.605,1076 0.125,1077 22.743,1078 10.715,1079 3.23,1080 11.704,1081 20.433,1082 1.603,1083 12.802,1084 16.169,1085 11.511,1086 25.191,1087 11.831,1088 2.821,1089 11.158,1090 22.331,1091 4.675,1092 13.927,1093 17.638,1094 0.082,1095 27.592,1096 12.829,1097 2.722,1098 9.169,1099 24.236,1100 4.586,1101 15.11,1102 19.178,1103 13.675,1104 30.03,1105 13.914,1106 2.406,1107 8.874,1108 26.147,1109 3.813,1110 16.265,1111 20.68,1112 0.054,1113 32.453,1114 14.949,1115 2.254,1116 7.585,1117 28.064,1118 3.594,1119 17.445,1120 22.212,1121 15.838,1122 34.891,1123 16.024,1124 1.829,1125 6.093,1126 29.986,1127 3.096,1128 18.615,1129 23.73,1130 0.035,1131 37.324,1132 17.079,1133 12733,1134 22865,1135 24.156,1136 37.023,1137 55.594,1138 57.668,1139 55.915,1140 55.486,1141 55.42,1142 74.786,1143 9.22,1144 166.716,1145 50.962,1146 5.809,1147 7.18,1148 6.92,1149 5.35,1150 5.329,1151 7.675,1152 5.9,1153 18.955,1154 5.006,1155 15.302,1156 1.544,1157 1.602,1158 1.553,1159 1.541,1160 1.539,1161 2.077,1162 0.256,1163 4.631,1164 1.416,1165 4.139,1166 4.145,1167 4.736,1168 4.145,1169 7.716,1170 4.078,1171 4.014,1172 4.003,1173 4.339,1174 4.004,1175 6.999,1176 3.918,1177 3.81,1178 3.856,1179 3.831,1180 3.686,1181 5.245,1182 3.686,1183 3.737,1184 3.776,1185 3.683,1186 3.57,1187 5.021,1188 3.555,1189 3.606,1190 3.615,1191 3.606,1192 3.492,1193 4.696,1194 3.467,1195 3.233,1196 3.289,1197 3.319,1198 3.063,1199 4.616,1200 3.077,1201 3.111,1202 3.206,1203 2.925,1204 2.941,1205 4.558,1206 2.91,1207 3.007,1208 3.085,1209 2.866,1210 2.794,1211 4.208,1212 2.81,1213 0.134,1214 0.144,1215 0.198,1216 0.117,1217 0.092,1218 4.809,1219 0.13,1220 5.18,1221 0.082,1222 7.118,1223 0.325,1224 4.21,1225 0.084,1226 3.329,1227 4.675,1228 2.95,1229 11.704,1230 3.006,1231 1.986,1232 2,1233 1.998,1234 2.057,1235 1.235,1236 2.076,1237 1.887,1238 1.853,1239 1.954,1240 2.024,1241 1.216,1242 2.031,1243 1.709,1244 1.66,1245 1.859,1246 1.932,1247 0.946,1248 1.914,1249 1.602,1250 1.618,1251 1.664,1252 1.766,1253 0.879,1254 1.765,1255 1.553,1256 1.519,1257 1.585,1258 1.681,1259 0.825,1260 1.725,1261 1.288,1262 1.279,1263 1.513,1264 1.376,1265 0.743,1266 1.429,1267 1.153,1268 1.064,1269 1.331,1270 1.36,1271 0.571,1272 1.397,1273 1.002,1274 0.93,1275 1.228,1276 1.288,1277 0.231,1278 1.292,1279 4.29,1281 5.652,1282 2.398,1283 7.204,1284 4.727,1285 8.837,1286 6.862,1287 10.514,1289 1.208,1293 5.626,1295 2.697,1297 5.508,1300 2.183,1305 35.335,1306 95.481,1307 207.108,1308 250.058,1309 261.668,1310 261.668,1311 261.668,1312 54.964,1313 8.237,1314 124.19,1315 160.81,1316 29,1317 12.897,1318 4.644,1319 3.807,1320 45.395,1321 129,1322 132,1323 0.176,1324 220.985,1325 369.45,1326 530.963,1327 41233,1329 22.294,1330 0.697,1331 0.589,1332 22.898,1333 18.858,1334 15.381,1335 0.427,1336 0.351,1337 9.981,1338 13.523,1339 9.519,1340 7.805,1341 16.684,1342 12.618,1343 14.958,1344 0.282,1345 0.198,1346 16.961,1347 10.493,1348 12.105,1349 0.173,1350 0.106,1351 13.704,1352 7.421,1353 10.081,1354 0.107,1355 0.056,1356 11.558,1357 5.286,1358 8.792,1359 0.068,1360 0.03,1361 10.22,1362 3.907,1363 0.271,1364 109.901,1365 0.203,1366 29.412,1367 0.503,1368 178,1369 558.465,1370 254.729,1371 579.038,1372 791.27,1373 538,1374 212,1375 546.329,1376 294.478,1377 600.645,1378 880.16,1379 562,1380 9}
{0 CHEMBL1090709,1 1.613,2 14.769,3 2.455,4 6.028,5 145.485,6 8.04,7 0.489,8 4.317,9 4.424,10 3.962,11 3.852,12 5.437,13 3.863,14 4.874,15 5.022,16 4.368,17 4.279,18 5.98,19 4.278,20 5.128,21 5.311,22 4.404,23 4.413,24 6.213,25 4.377,26 5.149,27 5.362,28 4.327,29 4.395,30 6.185,31 4.336,32 5.095,33 5.283,34 4.365,35 4.376,36 6.239,37 4.332,38 5.146,39 5.341,40 4.385,41 4.391,42 6.231,43 4.35,44 5.119,45 5.307,46 4.365,47 4.347,48 6.335,49 4.305,50 5.09,51 5.303,52 4.171,53 4.284,54 6.107,55 4.214,56 0.09,57 1.008,58 11.572,59 5.528,60 10.555,61 6.633,62 0.437,63 1.674,64 23.565,65 9.434,66 33.627,67 11.566,68 0.704,69 2.028,70 33.899,71 12.546,72 60.233,73 15.784,74 0.569,75 2.032,76 36.52,77 13.611,78 55.096,79 17.879,80 0.643,81 1.924,82 33.069,83 12.771,84 67.769,85 16.349,86 0.659,87 2.003,88 35.642,89 13.151,90 61.373,91 16.882,92 0.939,93 1.926,94 34.659,95 12.605,96 98.792,97 16.232,98 0.6,99 1.806,100 35.721,101 13.201,102 67.804,103 16.927,104 10,105 66,106 0.252,107 0.644,108 0.832,109 0.895,110 0.909,111 0.909,112 3.693,113 0.861,114 -2.67,115 -2.69,116 -2.61,119 44.6,121 2,124 1,125 2,127 2,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,159 1,161 1,172 6,174 1,175 13,178 2,179 1,180 3,183 4,186 2,187 11,190 1,192 3,195 4,198 2,199 9,204 3,207 6,211 2,212 7,215 3,217 3,220 7,223 3,224 5,229 1,232 7,236 6,237 10,240 2,242 1,245 7,250 9,255 2,258 4,262 1,263 7,266 1,268 1,271 2,275 3026,276 26.842,277 26.842,278 26.842,279 26.842,280 26.842,281 23.806,282 34.59,283 15.572,284 27.458,285 22.275,286 22.275,287 22.275,288 22.275,289 22.275,290 17.542,291 49.054,292 7.476,293 23.288,294 4.409,295 1.895,296 0.693,297 0.289,298 0.196,299 0.196,300 4.42,305 1,306 1316,307 3.606,310 166.842,311 649.232,314 312.74,318 2.426,319 40.486,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 85,331 576,332 4.742,333 3.731,334 7.033,335 4.302,336 3.337,337 4.707,338 1.656,339 12.086,340 3.224,341 4.515,342 3.56,343 6.696,344 4.157,345 3.178,346 4.126,347 0.86,348 10.808,349 3.109,350 4.062,351 3.461,352 6.396,353 3.882,354 2.943,355 3.483,356 0.86,357 9.814,358 2.762,359 3.994,360 3.137,361 5.678,362 3.634,363 2.672,364 3.336,365 0.8,366 7.752,367 2.563,368 3.863,369 2.776,370 5.584,371 3.427,372 2.456,373 3.307,374 0.247,375 7.337,376 2.382,377 3.605,378 2.633,379 5.506,380 3.263,381 2.328,382 2.93,384 7.127,385 2.177,386 3.552,387 2.556,388 5.293,389 3.164,390 2.195,391 2.728,393 6.702,394 2.116,395 3.381,396 2.473,397 5.221,398 2.964,399 1.996,400 2.656,402 6.275,403 1.931,404 3.228,405 2.22,406 5.102,407 2.917,408 1.938,409 2.448,411 5.822,412 1.878,413 3.06,414 2.126,415 4.794,416 2.798,417 1.822,418 2.175,420 5.099,421 1.763,422 3.029,423 1.854,424 4.62,425 2.562,426 1.611,427 2.085,428 4.759,429 1.521,430 2.847,431 1.704,432 4.582,433 2.43,434 1.498,435 1.98,436 4.324,437 1.392,438 2.736,439 1.519,440 3.993,441 2.348,442 1.385,443 1.806,445 3.008,446 1.33,447 2.641,448 1.365,449 3.727,450 2.173,451 1.2,452 1.684,454 2.991,455 1.166,456 2.5,457 1.333,458 3.571,459 1.956,460 1,461 1.5,463 2.623,464 0.953,465 18.233,466 0.468,467 0.986,468 0.025,469 54,470 1.385,471 26.5,472 0.679,473 27.5,474 0.705,475 33.568,476 0.861,477 40.567,478 0.624,479 45.154,480 1.158,481 10.49,482 0.269,483 8.54,484 0.219,485 0.064,487 0.4,493 0.803,494 1.365,495 0.692,496 1.068,497 0.567,498 0.889,499 0.958,500 1.06,501 0.838,502 0.937,503 0.59,504 0.869,505 1.082,506 1.053,507 1.028,508 0.997,509 0.843,510 0.997,511 0.923,512 0.979,513 0.946,514 0.992,515 0.84,516 0.974,517 0.923,518 1.015,519 0.949,520 1.041,521 1.166,522 1.011,523 1.039,524 1.039,525 0.96,526 1.018,527 1.146,528 0.981,529 0.908,530 1,531 0.992,532 1.029,533 0.785,534 1.029,535 1.164,536 0.98,537 1.039,538 1.021,539 1.105,540 1.017,541 7.5,542 0.199,543 4,544 3.618,545 1.6,546 1.525,547 0.955,548 0.751,549 0.451,550 0.415,551 27629,552 71786,553 2.216,554 40,556 16,557 1,558 3,559 2,561 4,564 1.793,565 2.108,566 3.797,567 0.162,573 104.851,574 1.613,575 4.127,576 5.33,577 5.734,578 5.826,579 5.826,580 3.258,581 5.01,582 5.254,583 4.011,584 2971.79,585 9.26,586 50122.1,591 391.454,592 1.296,593 5.233,594 0.167,595 0.005,596 0.061,597 0.055,598 0.026,599 0.024,600 0.015,601 0.012,602 0.009,603 0.009,604 0.382,605 0.33,606 0.75,607 0.42,608 218.576,609 -0.061,610 -0.219,611 0.067,612 -0.077,613 -0.031,614 0.003,615 -0.017,616 0.046,617 0.024,618 0.027,619 0.05,620 0.034,621 -0.066,622 -0.025,623 -0.086,624 -0.023,625 0.007,626 -0.051,627 -0.053,628 0.006,629 0.027,630 0.002,631 0.031,632 0.027,633 0.048,634 -0.017,635 -0.001,636 -0.047,637 -0.004,638 -0.038,639 -0.023,640 -0.048,641 0.01,642 -0.033,643 -0.063,644 -0.008,645 0.2,646 -0.005,647 -0.015,648 -0.051,649 0.237,650 -0.071,651 -0.132,652 -0.055,653 -0.029,654 -0.009,655 -0.088,656 -0.001,657 2.099,658 6.385,659 0.821,660 49.097,661 1.012,662 1.123,663 1.437,664 2.066,665 0.684,666 3.829,667 4.205,668 4.543,669 4.89,670 5.17,671 5.273,672 5.501,673 5.694,674 5.844,675 6.006,676 8.55,677 0.665,678 522.61,679 3.829,680 5.407,681 6.293,682 7.204,683 8.107,684 9.023,685 9.934,686 10.854,687 11.771,688 12.694,689 9.2,695 1,696 2,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 65,733 25,734 1,735 45,737 71,738 29,739 18,740 3,741 3,742 3,746 7,747 10,751 1,755 4,758 4,761 22,762 7,766 3,771 2,773 1,775 3,781 26,782 9,783 2,784 10,790 6,794 0.571,795 4,805 2,807 1,811 2,812 6,815 2,831 2,839 1,840 4,844 1,848 39,854 4,855 2,856 2,858 2,859 1,870 6.2,873 2,874 1,875 1,877 18.5,878 12.05,879 8.25,880 3.908,881 4.903,882 1.511,883 1.043,884 6.019,885 14.489,886 4.094,887 4.721,888 5.341,889 5.975,890 6.533,891 6.868,892 7.357,893 7.809,894 8.15,895 8.596,896 0.9,897 66,898 14.484,900 6.468,901 7.731,902 27.663,904 23.802,905 2.231,906 87,910 282.506,911 161.513,912 74.616,914 72.29,917 161.513,918 354.796,919 74.616,920 8.396,921 47.789,922 75.381,923 142.266,924 65.623,925 16.047,926 235.422,928 282.506,929 236.129,930 72.29,933 235.422,934 108.374,935 11,937 78.545,938 109.293,939 48.291,941 282.506,942 146.906,943 161.513,946 282.506,947 50.593,948 115.943,949 36.022,950 105.861,951 282.506,952 146.906,953 161.513,955 0.592,956 0.353,957 0.202,958 0.113,959 36,960 15,961 0.056,962 4,963 5,964 1.25,965 4.951,966 416.537,967 0.313,968 30,969 204.131,974 24.19,975 9.705,976 4.435,977 1.831,978 145.007,979 17.52,980 8.604,984 3.85,985 1.972,986 36.022,987 590.925,988 59,993 25.793,995 1.788,997 -0.445,999 65.756,1000 72.979,1001 0.268,1002 0.685,1003 0.885,1004 0.952,1005 0.967,1006 0.967,1007 5.368,1008 1.996,1009 6.293,1010 6.702,1011 4.89,1012 5.409,1013 2.274,1014 7.154,1015 4.807,1016 6.582,1017 1.938,1018 7.877,1019 6.275,1020 4.511,1021 5.247,1022 1.305,1023 8.111,1024 4.402,1025 7.903,1026 1.822,1027 9.558,1028 5.822,1029 6.529,1030 7.621,1031 2.627,1032 11.269,1033 6.37,1034 9.257,1035 1.611,1036 11.299,1037 5.099,1038 6.976,1039 8.316,1040 2.354,1041 13.093,1042 6.794,1043 10.646,1044 1.498,1045 13.079,1046 4.759,1047 8.469,1048 10.176,1049 3.315,1050 15.775,1051 8.243,1052 12.061,1053 1.385,1054 14.887,1055 4.324,1056 9.307,1057 11.298,1058 3.414,1059 17.972,1060 9.057,1061 13.497,1062 1.2,1063 16.718,1064 3.008,1065 10.593,1066 12.951,1067 4.177,1068 20.498,1069 10.305,1070 3.337,1071 1,1072 18.565,1073 2.991,1074 11.616,1075 14.287,1076 4.466,1077 22.851,1078 11.302,1079 3.178,1080 12.086,1081 20.427,1082 2.623,1083 12.823,1084 15.859,1085 5.117,1086 25.329,1087 12.476,1088 2.943,1089 10.808,1090 22.301,1091 4.707,1092 13.93,1093 17.299,1094 5.504,1095 27.747,1096 13.555,1097 2.672,1098 9.814,1099 24.184,1100 4.126,1101 15.112,1102 18.842,1103 6.093,1104 30.214,1105 14.707,1106 2.456,1107 7.752,1108 26.076,1109 3.483,1110 16.257,1111 20.333,1112 6.531,1113 32.661,1114 15.823,1115 2.328,1116 7.337,1117 27.974,1118 3.336,1119 17.433,1120 21.868,1121 7.084,1122 35.128,1123 16.97,1124 2.195,1125 7.127,1126 29.879,1127 3.307,1128 18.597,1129 23.383,1130 7.551,1131 37.59,1132 18.105,1133 24750,1134 40111,1135 31.035,1136 44.466,1137 69.941,1138 71.771,1139 70.599,1140 69.035,1141 69.022,1142 89.003,1143 8.846,1144 206.9,1145 66.105,1146 5.742,1147 5.731,1148 6.835,1149 5.412,1150 5.337,1151 7.707,1152 2.912,1153 19.665,1154 5.224,1155 14.522,1156 1.554,1157 1.595,1158 1.569,1159 1.534,1160 1.534,1161 1.978,1162 0.197,1163 4.598,1164 1.469,1165 4.163,1166 4.199,1167 4.134,1168 4.05,1169 7.432,1170 4.067,1171 3.985,1172 4.003,1173 3.953,1174 3.887,1175 7.427,1176 3.899,1177 3.898,1178 3.945,1179 3.817,1180 3.749,1181 5.032,1182 3.758,1183 3.862,1184 3.904,1185 3.788,1186 3.726,1187 4.908,1188 3.733,1189 3.549,1190 3.578,1191 3.505,1192 3.402,1193 4.846,1194 3.417,1195 3.434,1196 3.496,1197 3.345,1198 3.246,1199 4.65,1200 3.264,1201 3.326,1202 3.371,1203 3.255,1204 3.079,1205 4.437,1206 3.123,1207 3.094,1208 3.177,1209 2.971,1210 2.951,1211 4.299,1212 2.926,1213 0.105,1214 0.083,1215 0.156,1216 0.096,1217 0.074,1218 4.742,1219 0.105,1220 3.731,1221 0.037,1222 7.033,1223 0.269,1224 4.302,1225 0.072,1226 3.337,1227 4.707,1228 1.656,1229 12.086,1230 3.224,1231 1.955,1232 1.921,1233 2.086,1234 2.113,1235 1.451,1236 2.105,1237 1.884,1238 1.863,1239 1.967,1240 2.006,1241 1.097,1242 1.993,1243 1.816,1244 1.777,1245 1.928,1246 1.951,1247 1.075,1248 1.942,1249 1.786,1250 1.75,1251 1.906,1252 1.943,1253 0.944,1254 1.938,1255 1.652,1256 1.61,1257 1.794,1258 1.825,1259 0.886,1260 1.819,1261 1.374,1262 1.332,1263 1.56,1264 1.584,1265 0.825,1266 1.568,1267 1.253,1268 1.21,1269 1.455,1270 1.564,1271 0.686,1272 1.514,1273 1.13,1274 1.053,1275 1.394,1276 1.33,1277 0.596,1278 1.377,1279 4.511,1281 5.872,1282 3.045,1283 7.434,1284 5.533,1285 9.086,1286 7.719,1287 10.784,1289 1.952,1295 3.764,1296 5.469,1297 11.908,1299 0.573,1300 2.421,1305 43.256,1306 104.851,1307 268.275,1308 346.434,1309 372.699,1310 378.699,1311 378.699,1312 64.14,1313 9.586,1314 114.52,1315 114.52,1316 40,1317 13.202,1318 4.7,1319 3.907,1320 50.614,1321 200,1322 229,1323 0.122,1324 255.889,1325 446.98,1326 616.13,1327 256962,1329 26.509,1330 0.68,1331 0.545,1332 26.509,1333 21.256,1334 19.03,1335 0.423,1336 0.287,1337 12.703,1338 18.188,1339 12.479,1340 10.231,1341 19.03,1342 12.919,1343 17.764,1344 0.269,1345 0.152,1346 17.764,1347 10.034,1348 15.649,1349 0.168,1350 0.081,1351 15.649,1352 7.493,1353 13.991,1354 0.106,1355 0.043,1356 13.991,1357 5.652,1358 11.91,1359 0.068,1360 0.024,1361 11.91,1362 4.139,1363 0.194,1364 120.027,1365 0.18,1366 35.29,1367 0.326,1368 222,1369 652.188,1370 246.335,1371 622.623,1372 865.65,1373 586,1374 270,1375 654.161,1376 296.03,1377 657.286,1378 974.24,1379 620,1380 6.604}
{0 CHEMBL1090710,1 1.613,2 14.744,3 2.455,4 6.028,5 145.485,6 8.04,7 0.489,8 4.317,9 4.424,10 3.962,11 3.852,12 5.438,13 3.863,14 4.874,15 5.022,16 4.366,17 4.281,18 5.976,19 4.278,20 5.127,21 5.311,22 4.417,23 4.421,24 6.21,25 4.386,26 5.167,27 5.378,28 4.342,29 4.413,30 6.2,31 4.353,32 5.102,33 5.285,34 4.379,35 4.394,36 6.247,37 4.35,38 5.167,39 5.365,40 4.402,41 4.405,42 6.247,43 4.364,44 5.133,45 5.327,46 4.341,47 4.343,48 6.344,49 4.296,50 5.074,51 5.285,52 4.171,53 4.273,54 6.089,55 4.204,56 0.09,57 1.008,58 11.572,59 5.528,60 10.305,61 6.633,62 0.446,63 1.677,64 23.607,65 9.432,66 34.667,67 11.563,68 0.67,69 2.044,70 33.578,71 12.449,72 57.002,73 15.799,74 0.598,75 2.051,76 37.359,77 14.003,78 58.213,79 18.252,80 0.635,81 1.945,82 32.88,83 12.878,84 67.479,85 16.407,86 0.653,87 2.046,88 36.546,89 13.524,90 61.587,91 17.484,92 0.992,93 1.953,94 35.54,95 12.487,96 102.076,97 16.097,98 0.547,99 1.765,100 35.008,101 13.316,102 65.472,103 17.094,104 10,105 66,106 0.252,107 0.634,108 0.803,109 0.856,110 0.871,111 0.871,112 3.693,113 0.861,114 -2.67,115 -2.69,116 -2.61,119 44.6,121 2,124 1,125 2,127 2,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,159 1,161 1,172 6,174 1,175 13,178 2,179 1,180 3,183 4,186 2,187 11,190 1,192 3,195 4,198 2,199 9,204 3,207 8,211 2,212 7,215 3,217 3,220 6,223 3,224 7,229 1,232 7,236 6,237 8,240 2,242 1,245 6,250 10,255 2,258 4,262 1,263 7,266 1,268 1,271 3,275 3003,276 26.894,277 26.894,278 26.894,279 26.894,280 26.894,281 23.858,282 35.093,283 15.631,284 27.511,285 22.275,286 22.275,287 22.275,288 22.275,289 22.275,290 17.546,291 50.107,292 7.473,293 23.28,294 4.409,295 1.957,296 0.877,297 0.535,298 0.442,299 0.442,300 4.419,305 1,306 1313,307 3.606,310 245.063,311 440.17,312 111.532,314 309.873,318 2.405,319 40.417,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 85,331 575,332 4.748,333 3.731,334 7.095,335 4.327,336 3.366,337 4.708,338 1.656,339 12.323,340 3.24,341 4.516,342 3.56,343 6.702,344 4.163,345 3.184,346 4.126,347 0.86,348 10.831,349 3.115,350 4.15,351 3.521,352 6.598,353 3.962,354 3.015,355 3.483,356 0.86,357 10.467,358 2.853,359 3.994,360 3.148,361 5.68,362 3.634,363 2.672,364 3.377,365 0.8,366 7.752,367 2.564,368 3.863,369 2.776,370 5.592,371 3.426,372 2.455,373 3.32,374 0.247,375 7.336,376 2.382,377 3.604,378 2.556,379 5.505,380 3.168,381 2.22,382 2.931,384 7.016,385 2.122,386 3.516,387 2.474,388 5.276,389 3.151,390 2.179,391 2.747,393 6.637,394 2.087,395 3.377,396 2.391,397 5.159,398 2.944,399 1.953,400 2.655,402 5.861,403 1.925,404 3.228,405 2.205,406 5.086,407 2.851,408 1.879,409 2.448,411 5.839,412 1.822,413 3.031,414 2.016,415 4.791,416 2.798,417 1.822,418 2.172,420 5.098,421 1.763,422 2.879,423 1.976,424 4.614,425 2.562,426 1.611,427 1.98,428 4.752,429 1.521,430 2.847,431 1.836,432 4.541,433 2.353,434 1.451,435 1.879,436 4.107,437 1.33,438 2.732,439 1.519,440 3.866,441 2.347,442 1.385,443 1.815,445 2.992,446 1.311,447 2.632,448 1.455,449 3.727,450 2.176,451 1.266,452 1.673,454 2.914,455 1.159,456 2.5,457 1.333,458 3.571,459 2.147,460 1.187,461 1.5,463 2.768,464 1.114,465 18.233,466 0.468,467 0.969,468 0.025,469 54,470 1.385,471 26.5,472 0.679,473 27.5,474 0.705,475 33.687,476 0.864,477 40.567,478 0.624,479 45.216,480 1.159,481 10.498,482 0.269,483 8.549,484 0.219,485 0.064,487 0.4,493 0.803,494 1.365,495 0.692,496 1.068,497 0.564,498 0.889,499 0.965,500 1.071,501 0.843,502 0.927,503 0.597,504 0.867,505 1.015,506 1.038,507 1.004,508 0.994,509 0.814,510 0.987,511 0.965,512 0.968,513 0.949,514 0.984,515 0.849,516 0.968,517 0.919,518 1.03,519 0.965,520 1.062,521 1.165,522 1.034,523 1.005,524 1.08,525 0.94,526 1.039,527 1.113,528 0.99,529 0.966,530 0.947,531 1.059,532 1.005,533 0.809,534 1.037,535 1.109,536 1.018,537 0.993,538 1.064,539 1.092,540 1.03,541 7,542 0.161,543 4,544 3.806,545 1.569,546 1.518,547 0.972,548 0.754,549 0.427,550 0.465,551 27412,552 71431,553 2.216,554 40,556 16,557 1,558 3,559 2,561 4,564 1.793,565 2.108,566 3.775,567 0.162,573 104.851,574 1.613,575 4.066,576 5.145,577 5.488,578 5.58,579 5.58,580 3.229,581 4.926,582 5.254,583 3.999,584 2962.95,585 9.26,586 49837.2,591 391.454,592 1.296,593 5.233,594 0.156,595 0.004,596 0.061,597 0.057,598 0.025,599 0.024,600 0.015,601 0.013,602 0.008,603 0.01,604 0.372,605 0.33,606 0.75,607 0.42,608 218.36,609 -0.061,610 -0.219,611 0.067,612 -0.077,613 -0.028,614 0.003,615 -0.024,616 0.035,617 0.019,618 0.037,619 0.044,620 0.036,621 -0.046,622 0.002,623 -0.069,624 -0.024,625 0.02,626 -0.041,627 -0.062,628 0.005,629 0.028,630 0.016,631 0.025,632 0.036,633 0.043,634 -0.027,635 -0.027,636 -0.067,637 -0.012,638 -0.064,639 -0.005,640 -0.094,641 0.033,642 -0.051,643 -0.05,644 -0.011,645 0.158,646 0.059,647 -0.074,648 -0.04,649 0.213,650 -0.087,651 -0.092,652 -0.108,653 0.015,654 -0.04,655 -0.072,656 -0.003,657 2.099,658 6.394,659 0.821,660 48.462,661 1.012,662 1.123,663 1.437,664 2.066,665 0.684,666 3.829,667 4.205,668 4.554,669 4.913,670 5.159,671 5.303,672 5.509,673 5.707,674 5.849,675 6.014,676 8.499,677 0.665,678 522.61,679 3.829,680 5.407,681 6.297,682 7.212,683 8.118,684 9.039,685 9.954,686 10.879,687 11.8,688 12.728,689 9.2,695 1,696 2,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 65,733 25,734 1,735 45,737 71,738 29,739 18,740 3,741 3,742 3,746 7,747 10,751 1,755 4,758 4,761 22,762 7,766 3,771 2,773 1,775 3,781 26,782 9,783 2,784 10,790 6,794 0.571,795 4,805 2,807 1,808 1,811 3,812 4,813 1,815 2,831 2,839 1,840 4,844 1,848 39,854 4,855 2,856 2,858 2,859 1,870 6.2,873 2,874 1,875 1,877 18.5,878 12.05,879 8.278,880 3.903,881 4.905,882 1.51,883 1.038,884 6.019,885 14.519,886 4.094,887 4.721,888 5.345,889 5.985,890 6.535,891 6.885,892 7.371,893 7.826,894 8.162,895 8.607,896 0.9,897 67,898 14.482,900 6.465,901 7.731,902 27.663,904 23.811,905 2.231,906 87,910 282.506,911 163.999,912 74.616,914 72.29,917 163.999,918 354.796,919 74.616,920 8.396,921 50.275,922 75.381,923 142.266,924 65.623,925 16.047,926 235.422,928 282.506,929 238.615,930 72.29,933 235.422,934 108.374,935 11,937 81.032,938 109.293,939 48.291,941 282.506,942 146.906,943 163.999,946 282.506,947 53.08,948 115.943,949 36.022,950 105.861,951 282.506,952 146.906,953 163.999,955 0.591,956 0.355,957 0.207,958 0.112,959 36,960 15,961 0.056,962 4,963 4,964 1.219,965 4.933,966 418.256,967 0.25,968 31,969 200.131,974 24.19,975 9.705,976 4.337,977 1.84,978 145.007,979 17.543,980 8.613,984 3.867,985 1.975,986 36.022,987 593.411,988 59,993 25.806,995 1.792,997 -0.442,999 65.756,1000 72.979,1001 0.268,1002 0.675,1003 0.854,1004 0.911,1005 0.927,1006 0.927,1007 5.368,1008 1.953,1009 6.297,1010 6.637,1011 4.89,1012 5.409,1013 2.274,1014 7.168,1015 4.808,1016 6.582,1017 1.879,1018 7.886,1019 5.861,1020 4.511,1021 5.247,1022 1.305,1023 8.155,1024 4.41,1025 7.904,1026 1.822,1027 9.575,1028 5.839,1029 6.535,1030 7.623,1031 2.627,1032 11.326,1033 6.379,1034 9.262,1035 1.611,1036 11.325,1037 5.098,1038 7.004,1039 8.323,1040 2.354,1041 13.195,1042 6.826,1043 10.655,1044 1.451,1045 13.116,1046 4.752,1047 8.493,1048 10.181,1049 3.315,1050 15.885,1051 8.269,1052 12.073,1053 1.385,1054 14.937,1055 4.107,1056 9.357,1057 11.305,1058 3.414,1059 18.119,1060 9.105,1061 13.513,1062 1.266,1063 16.78,1064 2.992,1065 10.642,1066 12.957,1067 4.177,1068 20.657,1069 10.351,1070 3.366,1071 1.187,1072 18.64,1073 2.914,1074 11.685,1075 14.294,1076 4.466,1077 23.037,1078 11.363,1079 3.184,1080 12.323,1081 20.514,1082 2.768,1083 12.896,1084 15.864,1085 5.117,1086 25.53,1087 12.538,1088 3.015,1089 10.831,1090 22.4,1091 4.708,1092 14.018,1093 17.305,1094 5.504,1095 27.969,1096 13.627,1097 2.672,1098 10.467,1099 24.296,1100 4.126,1101 15.205,1102 18.847,1103 6.093,1104 30.452,1105 14.78,1106 2.455,1107 7.752,1108 26.199,1109 3.483,1110 16.362,1111 20.337,1112 6.531,1113 32.917,1114 15.903,1115 2.22,1116 7.336,1117 28.108,1118 3.377,1119 17.544,1120 21.872,1121 7.084,1122 35.401,1123 17.052,1124 2.179,1125 7.016,1126 30.023,1127 3.32,1128 18.717,1129 23.387,1130 7.551,1131 37.88,1132 18.191,1133 24586,1134 39899,1135 31.035,1136 44.466,1137 69.785,1138 71.507,1139 70.835,1140 68.866,1141 68.848,1142 88.829,1143 8.846,1144 206.98,1145 65.979,1146 5.748,1147 5.731,1148 6.897,1149 5.43,1150 5.366,1151 7.708,1152 2.912,1153 19.977,1154 5.24,1155 14.511,1156 1.551,1157 1.589,1158 1.574,1159 1.53,1160 1.53,1161 1.974,1162 0.197,1163 4.6,1164 1.466,1165 4.166,1166 4.202,1167 4.137,1168 4.053,1169 7.432,1170 4.07,1171 3.986,1172 4.004,1173 3.954,1174 3.888,1175 7.427,1176 3.9,1177 3.901,1178 3.951,1179 3.819,1180 3.752,1181 5.032,1182 3.761,1183 3.862,1184 3.904,1185 3.793,1186 3.731,1187 4.908,1188 3.739,1189 3.548,1190 3.576,1191 3.504,1192 3.398,1193 4.846,1194 3.413,1195 3.424,1196 3.486,1197 3.335,1198 3.239,1199 4.64,1200 3.255,1201 3.325,1202 3.37,1203 3.251,1204 3.078,1205 4.437,1206 3.122,1207 3.144,1208 3.206,1209 2.964,1210 2.951,1211 4.299,1212 2.926,1213 0.106,1214 0.083,1215 0.158,1216 0.096,1217 0.075,1218 4.748,1219 0.105,1220 3.731,1221 0.037,1222 7.095,1223 0.274,1224 4.327,1225 0.072,1226 3.366,1227 4.708,1228 1.656,1229 12.323,1230 3.24,1231 1.914,1232 1.888,1233 1.982,1234 2.048,1235 1.255,1236 2.029,1237 1.882,1238 1.861,1239 1.966,1240 2.006,1241 1.248,1242 1.993,1243 1.816,1244 1.777,1245 1.927,1246 1.943,1247 1.086,1248 1.941,1249 1.652,1250 1.613,1251 1.86,1252 1.866,1253 1.024,1254 1.85,1255 1.604,1256 1.554,1257 1.803,1258 1.797,1259 0.944,1260 1.798,1261 1.603,1262 1.543,1263 1.779,1264 1.76,1265 0.886,1266 1.791,1267 1.363,1268 1.322,1269 1.554,1270 1.579,1271 0.615,1272 1.561,1273 1.253,1274 1.21,1275 1.379,1276 1.561,1277 0.496,1278 1.514,1279 4.511,1281 5.872,1282 3.434,1283 7.424,1284 5.938,1285 9.065,1286 8.111,1287 10.756,1289 1.954,1295 3.644,1296 5.471,1297 11.793,1299 0.676,1300 2.468,1305 43.256,1306 104.851,1307 264.275,1308 334.434,1309 356.699,1310 362.699,1311 362.699,1312 64.123,1313 9.614,1314 114.52,1315 114.52,1316 39,1317 13.233,1318 4.7,1319 3.907,1320 50.617,1321 199,1322 229,1323 0.122,1324 255.889,1325 446.98,1326 616.13,1327 265647,1329 26.509,1330 0.68,1331 0.545,1332 26.509,1333 21.256,1334 19.047,1335 0.423,1336 0.287,1337 12.697,1338 18.202,1339 12.471,1340 10.229,1341 19.047,1342 12.914,1343 17.689,1344 0.268,1345 0.152,1346 17.689,1347 10.025,1348 15.637,1349 0.166,1350 0.08,1351 15.637,1352 7.515,1353 14.199,1354 0.105,1355 0.043,1356 14.199,1357 5.804,1358 11.697,1359 0.068,1360 0.023,1361 11.697,1362 3.977,1363 0.195,1364 120.182,1365 0.18,1366 35.245,1367 0.329,1368 222,1369 652.188,1370 246.004,1371 622.608,1372 865.33,1373 586,1374 271,1375 652.604,1376 296.864,1377 656.65,1378 974.16,1379 619,1380 6.893}
{0 CHEMBL1090780,1 1.814,2 13.667,3 3.169,4 10.041,5 124.497,6 8.578,7 0.55,8 4.204,9 4.32,10 3.877,11 3.674,12 5.392,13 3.711,14 4.761,15 4.922,16 4.306,17 4.055,18 6.309,19 4.081,20 4.964,21 5.169,22 4.249,23 4.177,24 6.136,25 4.16,26 4.958,27 5.172,28 4.274,29 4.177,30 6.15,31 4.161,32 4.991,33 5.193,34 4.342,35 4.175,36 6.336,37 4.184,38 4.955,39 5.148,40 4.259,41 4.196,42 6.164,43 4.182,44 4.981,45 5.183,46 4.247,47 4.22,48 6.2,49 4.17,50 5.03,51 5.261,52 4.164,53 4.159,54 6.215,55 4.089,56 0.234,57 1.135,58 8.983,59 4.718,60 26.496,61 5.389,62 1.17,63 2.083,64 20.696,65 7.816,66 150.325,67 9.066,68 1.106,69 1.927,70 28.82,71 9.382,72 90.469,73 11.899,74 0.772,75 1.964,76 27.715,77 9.918,78 58.153,79 13.011,80 1.079,81 2.137,82 29.74,83 10.047,84 110.901,85 12.317,86 0.923,87 2.012,88 26.776,89 10.012,90 91.084,91 11.816,92 1.001,93 2.079,94 27.724,95 10.954,96 64.212,97 14.196,98 0.859,99 2.121,100 32.947,101 13.554,102 81.755,103 17.452,104 19,105 57,106 0.292,107 0.637,108 0.755,109 0.814,110 0.819,111 0.825,112 3.616,113 0.84,114 -4.47,115 -4.39,116 -4.14,119 41.4,125 5,132 1,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 9,178 2,179 1,180 4,183 5,186 1,187 7,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 1,212 7,217 2,220 3,223 1,224 6,227 3,229 1,232 8,236 2,237 1,245 6,249 2,250 4,253 4,255 1,258 2,263 4,268 1,275 2670,276 24.187,277 24.187,278 24.187,279 24.187,280 24.187,281 21.523,282 27.517,283 14.345,284 25.095,285 19.845,286 19.845,287 19.845,288 19.845,289 19.845,290 15.773,291 37.463,292 6.933,293 21.391,294 4.044,295 1.903,296 1.171,297 0.806,298 0.772,299 0.737,300 4.321,305 1,306 1077,307 4.062,310 90.778,311 460.123,314 159.988,318 2.167,319 54.435,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 82,331 492,332 4.681,333 4.269,334 6.856,335 4.219,336 3.288,337 4.629,338 3.02,339 11.454,340 3.089,341 4.198,342 3.562,343 6.458,344 3.921,345 3.09,346 3.794,347 1.656,348 10.182,349 2.738,350 4.111,351 3.342,352 6.107,353 3.767,354 2.796,355 3.48,356 0.86,357 8.937,358 2.555,359 3.971,360 2.893,361 6.039,362 3.607,363 2.643,364 3.352,365 0.8,366 8.65,367 2.531,368 3.833,369 2.788,370 5.567,371 3.52,372 2.621,373 3.152,374 0.247,375 7.634,376 2.32,377 3.757,378 2.548,379 5.323,380 3.364,381 2.399,382 3.013,384 6.925,385 2.299,386 3.405,387 2.409,388 5.091,389 2.949,390 1.975,391 2.655,393 5.74,394 1.923,395 3.146,396 2.31,397 4.678,398 2.852,399 1.92,400 2.237,402 5.114,403 1.763,404 2.968,405 1.868,406 4.412,407 2.453,408 1.503,409 2.176,411 4.256,412 1.425,413 2.843,414 1.535,415 4.341,416 2.331,417 1.442,418 1.974,420 3.843,421 1.287,422 2.708,423 1.519,424 3.762,425 2.315,426 1.374,427 1.779,428 2.995,429 1.272,430 2.5,431 1.287,432 3.569,433 2.073,434 1.152,435 1.5,436 2.899,437 1.056,438 2.5,439 1.256,440 3.433,441 2,442 1,443 1.5,445 2.275,446 1,447 2.466,448 1,449 3.414,450 1.984,451 1,452 1.458,454 2.136,455 0.983,456 2.082,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.324,466 0.453,467 0.99,468 0.027,469 48.5,470 1.347,471 23,472 0.639,473 25.5,474 0.708,475 29.303,476 0.814,477 39.476,478 0.681,479 42.284,480 1.175,481 9.89,482 0.275,483 7.465,484 0.207,485 0.073,486 0.031,487 0.294,490 3,493 0.677,494 1.215,495 0.634,496 1.149,497 0.573,498 0.94,499 0.635,500 0.818,501 0.79,502 0.913,503 0.407,504 0.909,505 0.898,506 0.84,507 1.037,508 0.899,509 0.823,510 0.982,511 0.65,512 0.909,513 0.833,514 1.024,515 0.561,516 0.991,517 0.961,518 0.984,519 0.907,520 0.954,521 1,522 0.917,523 0.929,524 0.912,525 1.065,526 1.011,527 0.873,528 1.06,529 0.555,530 0.792,531 0.965,532 1.146,533 0.545,534 1.204,535 0.614,536 1.088,537 0.823,538 1.317,539 0.666,540 1.224,541 8,542 0.269,543 3.333,544 2.194,545 1.879,546 1.73,547 0.95,548 0.583,549 0.493,550 0.334,551 20597,552 69880,553 2.113,554 37.9,556 17,557 1,558 2,559 2,564 1.775,565 1.991,566 3.665,567 0.259,569 1,573 105.21,574 1.814,575 3.955,576 4.687,577 5.052,578 5.086,579 5.121,580 3.069,581 4.628,582 5.136,583 3.916,584 2466.83,585 9.037,586 39881,591 339.763,592 1.463,593 5.103,594 0.2,595 0.009,596 0.058,597 0.04,598 0.034,599 0.029,600 0.017,601 0.011,602 0.011,603 0.009,604 0.418,605 0.17,606 0.75,607 0.783,608 197.219,609 -0.074,610 -0.227,611 0.04,612 -0.123,613 -0.077,614 -0.027,615 0.266,616 0.211,617 0.046,618 0.055,619 0.369,620 -0.014,621 -0.087,622 0.058,623 -0.131,624 0.056,625 -0.099,626 -0.026,627 -0.013,628 -0.091,629 0.055,630 -0.07,631 0.026,633 -0.047,634 -0.03,635 0.031,636 0.018,637 -0.024,638 0.047,639 -0.131,640 0.005,641 -0.187,642 -0.039,643 -0.095,644 -0.104,645 0.161,646 0.103,647 -0.079,648 -0.138,649 0.069,650 -0.193,651 0.15,652 -0.226,653 0.168,654 -0.256,655 0.093,656 -0.113,657 5.639,658 5.247,659 0.75,660 46.25,661 1.032,662 1.149,663 3.237,664 10.476,665 0.666,666 3.714,667 4.06,668 4.29,669 4.605,670 4.868,671 4.997,672 5.231,673 5.394,674 5.509,675 5.642,676 8.139,677 0.663,678 497.53,679 3.714,680 5.273,681 6.116,682 7.009,683 7.874,684 8.775,685 9.654,686 10.559,687 11.447,688 12.356,689 12.1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 58,733 23,734 1,735 40,737 62,738 24,739 17,740 2,741 4,746 5,747 6,751 1,752 1,757 1,761 18,762 6,766 1,771 1,775 1,779 3,781 22,782 11,783 2,784 12,790 7,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,846 3,848 36,854 5,855 2,856 1,859 1,860 1,869 3,870 3.4,873 1,874 1,877 18.083,878 10.345,879 7.681,880 3.317,881 4.003,882 1.476,883 1.016,884 6.879,885 12.407,886 3.97,887 4.577,888 5.144,889 5.787,890 6.355,891 6.729,892 7.243,893 7.698,894 8.03,895 8.441,896 0.889,897 55,898 13.753,900 6.365,901 8.127,902 24.629,904 20.204,905 2.627,906 94.583,910 235.422,911 138.656,912 91.401,914 36.145,915 44.88,917 138.656,918 271.567,919 136.282,921 51.523,922 75.381,923 111.759,924 81.599,925 18.375,926 200.109,927 7.76,928 235.422,929 230.058,930 81.025,933 237.75,934 70.025,935 11,937 80.992,938 96.381,939 50.357,941 280.302,942 127.546,943 138.656,946 243.182,947 37.421,948 98.499,949 36.022,950 131.382,951 235.422,952 172.427,953 138.656,955 0.585,956 0.316,957 0.178,958 0.102,959 28,960 12,961 0.081,962 5,963 1,964 1.074,965 4.652,966 351.106,967 0.074,968 27,969 169.362,974 24.2,975 10.234,976 5.846,977 0.758,978 170.528,979 16.241,980 13.089,984 2.585,985 1.087,986 36.022,987 546.505,988 52,993 12.247,997 -0.425,999 59.858,1000 66.663,1001 0.31,1002 0.675,1003 0.8,1004 0.862,1005 0.868,1006 0.874,1007 5.223,1008 1.92,1009 6.125,1010 5.74,1011 4.745,1012 5.265,1013 3.087,1014 6.952,1015 4.606,1016 6.438,1017 1.503,1018 7.689,1019 5.114,1020 4.443,1021 5.103,1022 3.192,1023 7.997,1024 4.156,1025 7.754,1026 1.442,1027 9.358,1028 4.256,1029 6.389,1030 7.47,1031 4.666,1032 11.025,1033 6.098,1034 9.103,1035 1.374,1036 11.089,1037 3.843,1038 6.878,1039 8.13,1040 5.505,1041 12.864,1042 6.442,1043 10.484,1044 1.152,1045 12.86,1046 2.995,1047 8.329,1048 10.001,1049 6.696,1050 15.46,1051 7.873,1052 11.887,1053 1,1054 14.657,1055 2.899,1056 9.171,1057 11.077,1058 7.734,1059 17.617,1060 8.591,1061 13.309,1062 1,1063 16.474,1064 2.275,1065 10.43,1066 12.738,1067 8.859,1068 20.077,1069 9.809,1070 3.288,1071 1,1072 18.306,1073 2.136,1074 11.438,1075 14.034,1076 9.948,1077 22.371,1078 10.715,1079 3.09,1080 11.454,1081 20.148,1082 2.136,1083 12.624,1084 15.606,1085 11.057,1086 24.791,1087 11.847,1088 2.796,1089 10.182,1090 22,1091 4.629,1092 13.71,1093 17.018,1094 12.158,1095 27.148,1096 12.848,1097 2.643,1098 8.937,1099 23.86,1100 3.794,1101 14.871,1102 18.556,1103 13.264,1104 29.559,1105 13.951,1106 2.621,1107 8.65,1108 25.726,1109 3.48,1110 15.996,1111 20.026,1112 14.368,1113 31.948,1114 15.001,1115 2.399,1116 7.634,1117 27.597,1118 3.352,1119 17.153,1120 21.554,1121 15.474,1122 34.361,1123 16.098,1124 1.975,1125 6.925,1126 29.474,1127 3.152,1128 18.298,1129 23.054,1130 16.579,1131 36.767,1132 17.175,1133 19313,1134 35805,1135 26.929,1136 38.614,1137 60.857,1138 61.059,1139 60.546,1140 60.421,1141 60.169,1142 77.612,1143 13.166,1144 174.951,1145 56.004,1146 5.681,1147 6.269,1148 6.658,1149 5.323,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.089,1155 16.472,1156 1.521,1157 1.526,1158 1.514,1159 1.511,1160 1.504,1161 1.94,1162 0.329,1163 4.374,1164 1.4,1165 4.142,1166 4.187,1167 4.118,1168 4.004,1169 8.513,1170 4.026,1171 3.915,1172 3.955,1173 3.863,1174 3.817,1175 7.999,1176 3.821,1177 3.849,1178 3.889,1179 3.791,1180 3.74,1181 7.999,1182 3.749,1183 3.747,1184 3.807,1185 3.645,1186 3.518,1187 7.431,1188 3.537,1189 3.534,1190 3.586,1191 3.508,1192 3.26,1193 5.08,1194 3.303,1195 3.413,1196 3.459,1197 3.374,1198 3.137,1199 4.908,1200 3.186,1201 3.201,1202 3.257,1203 3.159,1204 2.955,1205 4.715,1206 2.999,1207 3.111,1208 3.206,1209 2.883,1210 2.941,1211 4.614,1212 2.91,1213 0.117,1214 0.107,1215 0.171,1216 0.105,1217 0.082,1218 4.681,1219 0.116,1220 4.269,1221 0.076,1222 6.856,1223 0.286,1224 4.219,1225 0.077,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.089,1231 1.952,1232 1.921,1233 2.03,1234 2.09,1235 1.223,1236 2.068,1237 1.826,1238 1.785,1239 1.941,1240 1.992,1241 1.109,1242 1.979,1243 1.791,1244 1.753,1245 1.926,1246 1.942,1247 0.994,1248 1.941,1249 1.64,1250 1.58,1251 1.778,1252 1.898,1253 0.947,1254 1.867,1255 1.558,1256 1.51,1257 1.716,1258 1.749,1259 0.857,1260 1.736,1261 1.261,1262 1.216,1263 1.513,1264 1.558,1265 0.825,1266 1.511,1267 1.153,1268 1.079,1269 1.386,1270 1.446,1271 0.418,1272 1.429,1273 1.132,1274 1.064,1275 1.293,1276 1.376,1277 0.297,1278 1.387,1279 4.394,1281 5.733,1282 2.398,1283 7.253,1284 4.727,1285 8.856,1286 6.843,1287 10.505,1291 39.534,1295 1.014,1296 5.427,1297 5.42,1300 1.994,1301 -4.389,1305 38.47,1306 105.21,1307 229.408,1308 271.847,1309 293.008,1310 295.008,1311 297.008,1312 70.677,1313 8.404,1314 97.2,1315 97.2,1316 29,1317 12.877,1318 4.585,1319 3.7,1320 54.474,1321 171,1322 204,1323 0.15,1324 230.965,1325 402.11,1326 555.316,1327 56997,1328 5.2,1329 25.123,1330 0.698,1331 0.528,1332 22.623,1333 18.995,1334 17.354,1335 0.434,1336 0.28,1337 10.939,1338 16.322,1339 10.841,1340 8.846,1341 16.208,1342 11.204,1343 16.585,1344 0.291,1345 0.143,1346 14.228,1347 8.159,1348 12.61,1349 0.175,1350 0.078,1351 12.26,1352 5.598,1353 11.135,1354 0.112,1355 0.04,1356 10.602,1357 3.947,1358 9.23,1359 0.072,1360 0.021,1361 8.664,1362 2.661,1363 0.239,1364 111.236,1365 0.193,1366 33.137,1367 0.406,1368 194,1369 790.696,1370 230.874,1371 675.465,1372 894.53,1373 630,1374 226,1375 637.512,1376 255.77,1377 620.338,1378 926.87,1379 584,1380 8}
{0 CHEMBL1090781,1 1.639,2 14.162,3 2.099,4 4.407,5 135.872,6 7.631,7 0.537,8 4.31,9 4.429,10 3.901,11 3.76,12 5.422,13 3.776,14 4.858,15 5.03,16 4.239,17 4.13,18 5.955,19 4.129,20 5.031,21 5.226,22 4.286,23 4.271,24 6.065,25 4.238,26 5.114,27 5.335,28 4.286,29 4.301,30 6.145,31 4.253,32 5.14,33 5.364,34 4.325,35 4.324,36 6.201,37 4.283,38 5.119,39 5.325,40 4.307,41 4.371,42 6.149,43 4.314,44 5.149,45 5.364,46 4.235,47 4.387,48 6.109,49 4.296,50 5.154,51 5.389,52 4.16,53 4.322,54 6.092,55 4.209,56 0.096,57 1.021,58 13.284,59 5.364,60 11.065,61 7.114,62 0.761,63 1.569,64 27.346,65 8.54,66 46.747,67 11.46,68 0.673,69 1.844,70 32.714,71 10.188,72 45.274,73 14.522,74 0.635,75 1.948,76 36.587,77 11.472,78 54.262,79 16.541,80 0.751,81 1.947,82 38.286,83 11.595,84 66.891,85 16.832,86 0.639,87 1.99,88 35.778,89 12.176,90 55.096,91 17.029,92 0.722,93 1.994,94 37.025,95 13.113,96 46.791,97 18.737,98 0.509,99 1.875,100 38.631,101 14.854,102 57.48,103 20.989,104 16,105 56,106 0.258,107 0.597,108 0.754,109 0.804,110 0.809,111 0.814,112 3.642,113 0.877,114 -3.52,115 -3.5,116 -3.34,119 39.4,124 2,125 5,128 1,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 4,175 9,178 2,179 1,180 4,183 5,186 3,187 7,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 3,212 11,217 2,220 3,223 1,224 6,227 3,229 1,232 8,236 6,237 3,245 6,249 2,250 8,253 4,255 1,258 2,263 8,268 1,275 2935,276 25.687,277 25.687,278 25.687,279 25.687,280 25.687,281 23.023,282 29.708,283 15.366,284 26.364,285 20.178,286 20.178,287 20.178,288 20.178,289 20.178,290 16.101,291 38.965,292 7.218,293 21.283,294 4.405,295 2.252,296 1.253,297 0.932,298 0.902,299 0.871,300 4.351,306 1142,307 3.937,310 93.952,311 476.394,314 165.863,318 2.158,319 33.8,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.66,330 81.5,331 524,332 4.676,333 3.562,334 6.843,335 4.206,336 3.259,337 4.628,338 1.656,339 11.408,340 3.088,341 4.174,342 3.36,343 6.122,344 3.781,345 2.806,346 3.793,347 1.392,348 8.971,349 2.736,350 3.978,351 3.108,352 6.104,353 3.639,354 2.712,355 3.479,356 0.86,357 8.89,358 2.546,359 3.916,360 2.864,361 5.568,362 3.604,363 2.643,364 3.313,365 0.8,366 7.635,367 2.509,368 3.757,369 2.768,370 5.366,371 3.373,372 2.411,373 3.14,374 0.532,375 6.931,376 2.315,377 3.431,378 2.547,379 5.322,380 3.329,381 2.361,382 2.655,383 0.247,384 6.828,385 2.273,386 3.399,387 2.407,388 5,389 2.947,390 1.966,391 2.466,393 5.516,394 1.922,395 3.106,396 2.307,397 4.677,398 2.839,399 1.906,400 2.179,402 5.114,403 1.765,404 2.967,405 1.866,406 4.41,407 2.453,408 1.503,409 2.172,411 4.253,412 1.425,413 2.843,414 1.535,415 4.319,416 2.333,417 1.438,418 1.974,420 3.785,421 1.287,422 2.699,423 1.519,424 3.762,425 2.315,426 1.374,427 1.765,428 2.995,429 1.279,430 2.5,431 1.478,432 3.569,433 2.074,434 1.153,435 1.5,436 2.898,437 1.056,438 2.5,439 1.298,440 3.43,441 2,442 1,443 1.5,445 2.275,446 1,447 2.465,448 1.256,449 3.414,450 1.984,451 1,452 1.457,454 2.136,455 0.983,456 2.085,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.133,466 0.463,467 0.704,468 0.019,469 49.25,470 1.331,471 23,472 0.622,473 26.25,474 0.709,475 31.231,476 0.844,477 40.467,478 0.613,479 41.744,480 1.128,481 10.177,482 0.275,483 7.963,484 0.215,485 0.078,487 0.309,493 0.896,494 1.609,495 0.752,496 1.263,497 0.675,498 1.017,499 1.248,500 0.987,501 0.954,502 0.815,503 0.812,504 0.829,505 1.099,506 1.205,507 1.021,508 0.995,509 0.998,510 0.99,511 0.972,512 1.088,513 0.974,514 1.016,515 0.891,516 0.99,517 1.018,518 0.979,519 0.916,520 0.879,521 1.24,522 0.865,523 0.938,524 1.014,525 1.035,526 1.035,527 1.063,528 1.044,529 0.662,530 1.006,531 1.087,532 1.15,533 0.587,534 1.186,535 0.497,536 1.104,537 0.877,538 1.293,539 0.432,540 1.197,541 6.5,542 0.261,543 3.333,544 2.069,545 1.684,546 1.539,547 0.919,548 0.462,549 0.435,550 0.285,551 22136,552 61449,553 2.133,554 43.9,556 23,557 2,558 2,559 2,564 1.783,565 2.037,566 3.735,567 0.216,573 108.186,574 1.639,575 3.793,576 4.792,577 5.112,578 5.143,579 5.173,580 3.227,581 4.703,582 5.174,583 3.957,584 2635.65,585 9.12,586 43583,591 398.93,592 1.241,593 5.159,594 0.159,595 0.007,596 0.06,597 0.036,598 0.03,599 0.026,600 0.016,601 0.009,602 0.009,603 0.007,604 0.356,605 0.33,606 0.63,607 0.944,608 204.601,609 -0.066,610 -0.371,611 0.073,612 -0.181,613 -0.042,614 -0.049,615 -0.026,616 0.126,618 0.161,619 0.021,620 0.089,621 -0.106,622 -0.115,623 -0.08,624 -0.011,625 -0.084,626 -0.04,627 -0.073,628 -0.035,629 -0.017,630 -0.042,631 0.003,632 -0.022,633 -0.052,634 0.052,635 0.057,636 0.093,637 -0.021,638 0.103,639 -0.081,640 0.062,641 -0.107,642 -0.028,643 -0.072,644 -0.063,645 0.079,646 0.05,647 -0.168,648 -0.126,649 -0.027,650 -0.181,651 0.198,652 -0.161,653 0.068,654 -0.229,655 0.194,656 -0.133,657 2.005,658 5.342,659 0.73,660 49.882,661 1.011,662 1.135,663 2.29,664 5.244,665 0.655,666 3.738,667 4.043,668 4.331,669 4.615,670 4.875,671 5.011,672 5.236,673 5.416,674 5.533,675 5.673,676 8.326,677 0.633,678 503.62,679 3.738,680 5.273,681 6.125,682 7,683 7.873,684 8.76,685 9.645,686 10.54,687 11.433,688 12.334,689 10.6,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 66,733 23,734 1,735 41,737 70,738 26,739 17,740 2,741 4,746 5,747 6,751 1,761 18,762 8,766 1,771 1,775 1,781 29,782 10,783 2,784 11,790 7,794 0.8,795 4,805 1,806 1,807 1,811 1,812 4,815 1,839 3,840 4,844 2,848 37,854 5,855 2,856 3,858 1,859 1,870 6.1,873 1,874 3,877 18.167,878 12.333,879 8.306,880 3.696,881 4,882 1.473,883 0.988,884 8.04,885 12.457,886 3.989,887 4.567,888 5.161,889 5.787,890 6.354,891 6.729,892 7.239,893 7.703,894 8.034,895 8.448,896 1,897 58,898 13.649,900 5.72,901 7.707,902 26.023,904 20.914,905 2.207,906 81.667,910 317.82,911 153.023,912 91.401,914 58.145,917 153.023,918 375.964,919 91.401,920 21.766,921 51.523,922 75.741,923 133.759,924 36.718,925 30.146,926 270.735,928 317.82,929 244.424,930 58.145,933 320.148,934 25.145,935 33,936 0.36,937 73.233,938 118.147,939 50.357,941 317.82,942 149.546,943 153.023,946 318.179,947 37.421,948 120.266,949 36.022,950 108.501,951 317.82,952 149.546,953 153.023,955 0.569,956 0.336,957 0.185,958 0.102,959 26,960 11,961 0.114,962 8,963 1,964 1.074,965 4.763,966 361.291,967 0.074,968 27,969 176.75,974 25.268,975 11.773,976 5.959,977 1.757,978 147.647,979 18.134,980 13.806,984 3.601,985 2.015,986 36.022,987 620.388,988 53,993 12.342,997 -0.338,999 66.741,1000 74.893,1001 0.271,1002 0.627,1003 0.793,1004 0.846,1005 0.851,1006 0.856,1007 5.218,1008 1.906,1009 6.089,1010 5.516,1011 4.727,1012 5.255,1013 2.54,1014 6.887,1015 4.626,1016 6.401,1017 1.503,1018 7.632,1019 5.114,1020 4.205,1021 4.987,1022 1.305,1023 7.751,1024 4.077,1025 7.695,1026 1.438,1027 9.275,1028 4.253,1029 6.301,1030 7.441,1031 3.016,1032 10.871,1033 6.106,1034 9.027,1035 1.374,1036 10.98,1037 3.785,1038 6.635,1039 8.067,1040 2.354,1041 12.607,1042 6.405,1043 10.395,1044 1.153,1045 12.726,1046 2.995,1047 8.156,1048 9.971,1049 3.72,1050 15.241,1051 7.867,1052 11.788,1053 1,1054 14.502,1055 2.898,1056 8.899,1057 11.04,1058 3.414,1059 17.355,1060 8.566,1061 13.203,1062 1,1063 16.3,1064 2.275,1065 10.184,1066 12.715,1067 4.529,1068 19.833,1069 9.797,1070 3.259,1071 1,1072 18.115,1073 2.136,1074 11.132,1075 14.013,1076 4.466,1077 22.117,1078 10.695,1079 2.806,1080 11.408,1081 19.945,1082 2.136,1083 12.323,1084 15.591,1085 5.398,1086 24.549,1087 11.832,1088 2.712,1089 8.971,1090 21.786,1091 4.628,1092 13.375,1093 17.005,1094 5.504,1095 26.91,1096 12.83,1097 2.643,1098 8.89,1099 23.638,1100 3.793,1101 14.534,1102 18.546,1103 6.306,1104 29.332,1105 13.936,1106 2.411,1107 7.635,1108 25.498,1109 3.479,1110 15.639,1111 20.018,1112 6.531,1113 31.728,1114 14.985,1115 2.361,1116 6.931,1117 27.365,1118 3.313,1119 16.791,1120 21.547,1121 7.242,1122 34.151,1123 16.083,1124 1.966,1125 6.828,1126 29.239,1127 3.14,1128 17.925,1129 23.047,1130 7.551,1131 36.566,1132 17.161,1133 20821,1134 34846,1135 28.027,1136 43.233,1137 60.461,1138 62.215,1139 62.102,1140 60.307,1141 60.401,1142 77.852,1143 10.973,1144 170.261,1145 57.252,1146 5.676,1147 5.562,1148 6.645,1149 5.309,1150 5.259,1151 7.628,1152 3.048,1153 18.832,1154 5.088,1155 14.752,1156 1.475,1157 1.517,1158 1.515,1159 1.471,1160 1.473,1161 1.899,1162 0.268,1163 4.153,1164 1.396,1165 4.142,1166 4.186,1167 4.116,1168 4.005,1169 7.431,1170 4.027,1171 3.914,1172 3.955,1173 3.862,1174 3.817,1175 5.088,1176 3.821,1177 3.849,1178 3.888,1179 3.79,1180 3.741,1181 4.908,1182 3.749,1183 3.747,1184 3.805,1185 3.635,1186 3.519,1187 4.794,1188 3.537,1189 3.581,1190 3.612,1191 3.476,1192 3.321,1193 4.709,1194 3.35,1195 3.424,1196 3.471,1197 3.372,1198 3.16,1199 4.614,1200 3.204,1201 3.242,1202 3.303,1203 3.171,1204 2.981,1205 4.358,1206 3.025,1207 3.168,1208 3.255,1209 2.912,1210 2.941,1211 4.315,1212 2.91,1213 0.114,1214 0.087,1215 0.167,1216 0.103,1217 0.079,1218 4.676,1219 0.113,1220 3.562,1221 0.04,1222 6.843,1223 0.278,1224 4.206,1225 0.075,1226 3.259,1227 4.628,1228 1.656,1229 11.408,1230 3.088,1231 1.952,1232 1.921,1233 2.03,1234 2.09,1235 1.224,1236 2.069,1237 1.826,1238 1.786,1239 1.941,1240 1.993,1241 1.114,1242 1.979,1243 1.791,1244 1.753,1245 1.926,1246 1.942,1247 1.066,1248 1.941,1249 1.657,1250 1.602,1251 1.831,1252 1.912,1253 0.948,1254 1.891,1255 1.566,1256 1.521,1257 1.724,1258 1.764,1259 0.869,1260 1.75,1261 1.327,1262 1.278,1263 1.593,1264 1.613,1265 0.825,1266 1.606,1267 1.241,1268 1.193,1269 1.557,1270 1.555,1271 0.608,1272 1.506,1273 1.153,1274 1.064,1275 1.513,1276 1.474,1277 0.564,1278 1.503,1279 4.419,1281 5.727,1282 2.398,1283 7.233,1284 4.727,1285 8.829,1286 6.843,1287 10.474,1289 3.235,1295 3.304,1296 5.611,1297 16.37,1299 -0.399,1300 2.227,1305 41.804,1306 108.186,1307 250.308,1308 316.259,1309 337.42,1310 339.42,1311 341.42,1312 56.826,1313 8.457,1314 115.66,1315 115.66,1316 29,1317 12.858,1318 4.585,1319 3.7,1320 56.719,1321 179,1322 215,1323 0.149,1324 254.548,1325 436.08,1326 612.857,1327 60838,1329 25.614,1330 0.692,1331 0.561,1332 25.614,1333 20.755,1334 18.14,1335 0.442,1336 0.292,1337 11.703,1338 17.106,1339 11.461,1340 9.464,1341 18.14,1342 11.98,1343 15.738,1344 0.281,1345 0.151,1346 15.738,1347 8.469,1348 13.526,1349 0.18,1350 0.082,1351 13.526,1352 6.12,1353 11.438,1354 0.114,1355 0.042,1356 11.438,1357 4.179,1358 9.342,1359 0.072,1360 0.022,1361 9.342,1362 2.811,1363 0.236,1364 115.929,1365 0.189,1366 33.914,1367 0.402,1368 194,1369 619.833,1370 219.835,1371 581.693,1372 796.39,1373 550,1374 228,1375 578.785,1376 254.009,1377 583.762,1378 857.27,1379 546,1380 7.77}
{0 CHEMBL1091070,1 1.526,2 8.696,3 3.101,4 9.617,5 86.418,6 8.537,7 0.615,8 3.737,9 3.809,10 3.411,11 3.321,12 4.999,13 3.337,14 4.202,15 4.305,16 3.821,17 3.72,18 5.451,19 3.735,20 4.42,21 4.534,22 3.874,23 3.808,24 5.732,25 3.804,26 4.484,27 4.64,28 3.805,29 3.743,30 5.919,31 3.713,32 4.349,33 4.512,34 3.502,35 3.554,36 5.572,37 3.511,38 4.214,39 4.408,40 3.472,41 3.426,42 5.513,43 3.394,44 4.044,45 4.183,46 3.396,47 3.346,48 5.343,49 3.346,50 4.022,51 4.166,52 3.269,53 3.293,54 5.334,55 3.261,56 0.111,57 0.456,58 5.572,59 3.219,60 13.553,61 3.218,62 0.168,63 0.751,64 9.769,65 5.114,66 12.827,67 5.43,68 0.375,69 0.886,70 13.614,71 6.65,72 40.863,73 6.921,74 0.619,75 0.952,76 16.713,77 7.271,78 76.089,79 8.546,80 0.44,81 0.814,82 15.474,83 6.385,84 48.077,85 6.821,86 0.393,87 0.725,88 14.62,89 5.803,90 52.873,91 7.154,92 0.306,93 0.592,94 10.967,95 4.586,96 33.449,97 4.629,98 0.309,99 0.598,100 10.233,101 4.39,102 39.6,103 4.533,104 17,105 39,106 0.272,107 0.649,108 0.781,109 0.868,110 0.897,111 0.897,112 3.19,113 0.818,114 -3.38,115 -3.36,116 -3.22,119 50,124 1,135 1,138 1,142 6,143 3,144 3,151 1,152 1,157 1,172 6,175 7,180 4,183 9,186 1,187 5,195 6,199 6,202 3,203 1,204 2,207 5,211 1,212 2,217 1,220 4,223 1,224 4,227 1,229 2,232 3,237 4,242 2,245 4,250 2,253 1,255 2,258 4,266 1,268 3,271 3,275 635,276 15.378,277 15.378,278 15.378,279 15.378,280 15.378,281 13.111,282 14.067,283 8.75,284 15.631,285 12.828,286 12.828,287 12.828,288 12.828,289 12.828,290 9.313,291 17.072,292 4.153,293 13.265,294 3.643,295 1.528,296 0.785,297 0.299,298 0.132,299 0.132,300 3.883,303 1,304 1,305 1,306 442,307 2.449,310 84.167,311 109.878,314 163.219,318 1.214,319 29.64,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50.5,331 200,332 4.661,333 3.759,334 6.879,335 4.253,336 3.275,337 4.609,338 0.86,339 11.425,340 3.203,341 4.57,342 3.194,343 6.717,344 4.131,345 3.157,346 4.247,348 10.906,349 3.077,350 3.913,351 2.921,352 5.764,353 3.463,354 2.495,355 3.354,357 7.755,358 2.41,359 3.516,360 2.581,361 5.416,362 3.094,363 2.127,364 2.871,366 6.531,367 2.055,368 3.356,369 2.298,370 5.14,371 2.931,372 1.996,373 2.691,375 6.016,376 1.854,377 3.295,378 2.175,379 4.964,380 2.839,381 1.879,382 2.583,384 5.52,385 1.797,386 3.175,387 1.954,388 4.762,389 2.73,390 1.755,391 2.402,393 4.974,394 1.696,395 2.758,396 1.753,397 4.232,398 2.257,399 1.266,400 1.804,402 3.384,403 1.245,404 2.635,405 1.219,406 3.606,407 2.135,408 1.164,409 1.607,411 2.784,412 1.119,413 2.301,414 0.977,415 3.574,416 1.878,417 0.904,418 1.216,420 2.267,421 0.876,422 1.445,423 0.716,424 2.984,425 0.967,426 -0.016,427 -0.023,428 -0.046,429 -0.016,430 1.175,431 0.118,432 2.724,433 0.76,434 -0.19,435 -0.243,436 -0.501,437 -0.177,438 0.87,439 -0.071,440 2.522,441 0.476,442 -0.473,443 -0.586,445 -1.207,446 -0.435,447 0.788,448 -0.263,449 2.363,450 0.392,451 -0.572,452 -0.73,454 -1.349,455 -0.547,456 0.663,457 -0.447,458 2.23,459 0.221,460 -0.71,461 -0.883,463 -1.775,464 -0.657,465 10.733,466 0.467,467 0.716,468 0.031,469 33.5,470 1.457,471 18.5,472 0.804,473 15,474 0.652,475 14.532,476 0.632,477 23.467,478 0.652,479 24.703,480 1.074,481 6.789,482 0.295,483 4.252,484 0.185,485 0.14,487 0.457,493 0.878,494 1.028,495 0.696,496 0.863,497 0.827,498 0.761,499 0.801,500 0.976,501 0.669,502 0.884,503 0.574,504 0.758,505 0.995,506 1.105,507 0.95,508 1.075,509 0.95,510 1.018,511 0.615,512 1.077,513 0.905,514 1.107,515 0.614,516 1.083,517 1.261,518 1.01,519 1.228,520 1.065,521 1.243,522 1.126,523 0.749,524 0.904,525 0.745,526 0.883,527 0.75,528 0.833,529 1.392,530 0.897,531 1.021,532 0.844,533 1.212,534 0.842,535 1.236,536 1.099,537 1.254,538 1.09,539 1.546,540 1.16,541 5,542 0.037,543 2.889,544 3.181,545 1.152,546 0.862,547 0.398,548 0.386,549 0.246,550 0.149,551 5494,552 16437,553 2.115,554 36.1,556 10,557 1,559 2,564 1.659,565 1.944,566 3.101,567 0.278,568 1,569 1,571 1,573 54.953,574 1.526,575 3.642,576 4.385,577 4.871,578 5.038,579 5.038,580 2.459,581 4.176,582 4.5,583 3.22,584 814.768,585 7.755,586 8971.99,587 1,588 1,589 1,590 1,591 186.117,592 1.491,593 4.44,594 0.192,595 0.006,596 0.074,597 0.082,598 0.034,599 0.034,600 0.016,601 0.016,602 0.012,603 0.011,604 0.477,605 0.5,606 1,607 0.636,608 105.683,609 -0.12,610 -0.017,611 0.003,612 0.067,613 -0.158,614 0.065,615 -0.069,616 0.066,617 0.09,618 0.043,619 0.013,620 0.103,621 -0.036,622 -0.133,623 -0.095,624 -0.124,625 -0.065,626 -0.125,627 0.341,628 -0.103,629 0.06,630 -0.14,631 0.331,632 -0.115,633 -0.167,634 -0.056,635 -0.222,636 -0.09,637 -0.199,638 -0.155,639 0.175,640 0.055,641 0.309,642 0.114,643 0.198,644 0.213,645 -0.245,646 0.061,647 -0.057,648 0.125,649 -0.127,650 0.091,651 -0.173,652 -0.107,653 -0.312,654 -0.142,655 -0.235,656 -0.241,657 2.064,658 5.434,659 0.783,660 15.104,661 1.02,662 1.106,663 2.151,664 4.625,665 0.705,666 3.296,667 3.689,668 4.025,669 4.369,670 4.543,671 4.644,672 4.771,673 4.913,674 4.963,675 5.011,676 5.227,677 0.696,678 307.32,679 3.296,680 4.875,681 5.765,682 6.686,683 7.59,684 8.514,685 9.424,686 10.348,687 11.26,688 12.184,689 2.8,697 1,703 2,704 7,709 5,710 1,711 16,716 1,728 2,729 1,731 36,733 18,734 2,735 26,737 39,738 18,739 14,740 6,741 6,742 3,746 4,747 6,761 17,762 1,766 2,771 1,773 1,775 2,777 1,778 1,781 13,782 4,783 2,784 5,790 1,794 0.5,795 4,807 1,811 2,812 2,815 2,831 2,840 2,844 1,848 23,853 2,856 1,870 11.1,872 2,873 1,875 1,877 11.833,878 6.85,879 4.861,880 2,881 3.916,882 1.525,883 0.986,884 3.044,885 11.378,886 3.611,887 4.314,888 4.991,889 5.648,890 6.164,891 6.528,892 6.935,893 7.383,894 7.668,895 8.084,896 0.833,897 39,898 8.519,900 3.845,901 8,902 15.771,904 13.331,905 2.5,906 57.5,910 129.482,911 110.486,912 1.899,914 121.512,917 110.486,918 250.994,919 1.899,920 8.396,922 75.381,923 120.889,924 27.087,925 13.915,926 117.711,928 129.482,929 112.385,930 121.512,933 129.482,934 121.512,937 1.899,938 95.766,939 14.72,941 129.482,942 123.411,943 110.486,946 129.482,947 26.709,948 85.677,950 121.512,951 129.482,952 123.411,953 110.486,955 0.6,956 0.365,957 0.212,958 0.108,959 22,960 10,961 0.026,962 1,963 2,964 1.222,965 3.455,966 197.938,967 0.222,968 18,969 100.042,974 14.061,975 4.979,976 2.151,977 2.046,978 121.512,979 12.199,984 0.656,985 1.97,986 85.367,987 363.379,988 36,993 12.434,995 1.654,997 -0.275,999 36.713,1000 39.827,1001 0.295,1002 0.704,1003 0.848,1004 0.942,1005 0.974,1006 0.974,1007 4.875,1008 1.266,1009 5.79,1010 4.974,1011 4.369,1012 5.001,1013 0.908,1014 6.678,1015 4.306,1016 6.138,1017 1.164,1018 7.398,1019 3.384,1020 4.111,1021 4.987,1023 7.695,1024 4.01,1025 7.487,1026 0.904,1027 9.104,1028 2.784,1029 6.038,1030 7.326,1031 0.739,1032 10.851,1033 5.924,1034 8.874,1035 -0.016,1036 10.867,1037 2.267,1038 6.581,1039 8.127,1041 12.706,1042 6.438,1043 10.292,1044 -0.19,1045 12.666,1046 -0.046,1047 8.025,1048 9.966,1049 0.593,1050 15.383,1051 7.868,1052 11.734,1053 -0.473,1054 14.49,1055 -0.501,1056 8.931,1057 11.152,1059 17.581,1060 8.749,1061 13.196,1062 -0.572,1063 16.334,1064 -1.207,1065 10.196,1066 12.792,1067 0.469,1068 20.092,1069 9.998,1070 3.275,1071 -0.71,1072 18.193,1073 -1.349,1074 11.259,1075 14.156,1077 22.427,1078 11.036,1079 3.157,1080 11.425,1081 20.064,1082 -1.775,1083 12.461,1084 15.715,1085 0.366,1086 24.879,1087 12.219,1088 2.495,1089 10.906,1090 21.944,1091 4.609,1092 13.588,1093 17.159,1095 27.265,1096 13.322,1097 2.127,1098 7.755,1099 23.832,1100 4.247,1101 14.768,1102 18.687,1103 0.283,1104 29.696,1105 14.482,1106 1.996,1107 6.531,1108 25.726,1109 3.354,1110 15.922,1111 20.168,1113 32.103,1114 15.612,1115 1.879,1116 6.016,1117 27.625,1118 2.871,1119 17.095,1120 21.684,1121 0.217,1122 34.527,1123 16.764,1124 1.755,1125 5.52,1126 29.528,1127 2.691,1128 18.26,1129 23.182,1131 36.942,1132 17.906,1133 5210,1134 9145,1135 17.224,1136 25.392,1137 40.788,1138 41.812,1139 42.108,1140 40.119,1141 40.036,1142 54.769,1143 1.72,1144 123.123,1145 38.663,1146 5.481,1147 5.759,1148 6.558,1149 5.32,1150 5.275,1151 7.609,1152 1.72,1153 18.647,1154 5.203,1155 11.677,1156 1.569,1157 1.608,1158 1.62,1159 1.543,1160 1.54,1161 2.107,1162 0.066,1163 4.735,1164 1.487,1165 4.15,1166 4.179,1167 4.116,1168 4.067,1169 7.428,1170 4.075,1171 3.973,1172 3.974,1173 3.949,1174 3.877,1175 6.492,1176 3.893,1177 3.522,1178 3.551,1179 3.462,1180 3.424,1181 6.445,1182 3.427,1183 3.414,1184 3.462,1185 3.313,1186 3.233,1187 4.951,1188 3.248,1189 3.098,1190 3.139,1191 2.995,1192 2.938,1193 4.738,1194 2.941,1195 2.978,1196 2.992,1197 2.885,1198 2.76,1199 4.31,1200 2.784,1201 2.797,1202 2.881,1203 2.616,1204 2.647,1205 4.106,1206 2.625,1207 2.704,1208 2.751,1209 2.561,1210 2.563,1211 3.825,1212 2.551,1213 0.179,1214 0.145,1215 0.265,1216 0.164,1217 0.126,1218 4.661,1219 0.177,1220 3.759,1221 0.033,1222 6.879,1223 0.439,1224 4.253,1225 0.123,1226 3.275,1227 4.609,1228 0.86,1229 11.425,1230 3.203,1231 1.943,1232 1.921,1233 2.035,1234 2.025,1235 1.171,1236 2.03,1237 1.85,1238 1.845,1239 1.911,1240 1.952,1241 1.037,1242 1.937,1243 1.665,1244 1.631,1245 1.8,1246 1.832,1247 0.904,1248 1.825,1249 1.375,1250 1.332,1251 1.572,1252 1.585,1253 0.635,1254 1.574,1255 1.077,1256 1.047,1257 1.25,1258 1.268,1259 0.312,1260 1.26,1261 0.864,1262 0.85,1263 1.093,1264 1.114,1265 0.181,1266 1.085,1267 0.825,1268 0.778,1269 1.048,1270 1.105,1271 0.094,1272 1.075,1273 0.769,1274 0.722,1275 1.009,1276 0.983,1277 0.09,1278 0.993,1279 3.97,1281 5.342,1282 3.045,1283 6.903,1284 5.533,1285 8.552,1286 7.719,1287 10.249,1289 1.931,1294 19.36,1297 5.525,1305 25.041,1306 54.953,1307 131.098,1308 157.853,1309 175.362,1310 181.362,1311 181.362,1312 41.649,1313 7.462,1314 75.6,1315 75.6,1316 22,1317 12.692,1318 4.248,1319 3.459,1320 31.815,1321 73,1322 63,1323 0.221,1324 150.292,1325 260.22,1326 358.472,1327 16715,1329 16.137,1330 0.702,1331 0.534,1332 16.137,1333 12.277,1334 11.042,1335 0.425,1336 0.273,1337 6.983,1338 10.619,1339 6.819,1340 5.629,1341 11.042,1342 7.087,1343 10.567,1344 0.271,1345 0.141,1346 10.567,1347 5.49,1348 9.128,1349 0.166,1350 0.072,1351 9.128,1352 3.951,1353 8.423,1354 0.108,1355 0.037,1356 8.423,1357 2.908,1358 6.295,1359 0.068,1360 0.02,1361 6.295,1362 1.865,1363 0.336,1364 69.458,1365 0.241,1366 22.09,1367 0.633,1368 130,1369 407.416,1370 142.6,1371 391.818,1372 536.72,1373 364,1374 159,1375 402.787,1376 172.572,1377 407.124,1378 602.07,1379 383,1380 5.956}
{0 CHEMBL1091071,1 1.447,2 10.138,3 4.62,4 21.34,5 111.554,6 8.335,7 0.667,8 3.965,9 4.042,10 3.628,11 3.589,12 5.196,13 3.588,14 4.435,15 4.541,16 4.031,17 3.995,18 5.642,19 3.989,20 4.674,21 4.8,22 4.111,23 4.115,24 5.911,25 4.09,26 4.751,27 4.905,28 4.11,29 4.114,30 6.095,31 4.071,32 4.715,33 4.871,34 3.968,35 4.068,36 5.878,37 4.013,38 4.706,39 4.892,40 3.952,41 4.033,42 5.885,43 3.968,44 4.651,45 4.831,46 3.875,47 3.954,48 5.798,49 3.901,50 4.618,51 4.804,52 3.77,53 3.856,54 5.806,55 3.799,56 0.078,57 0.553,58 7.328,59 4.075,60 13.004,61 4.349,62 0.115,63 0.92,64 12.691,65 6.572,66 13.09,67 7.349,68 0.321,69 1.135,70 18.291,71 8.825,72 41.169,73 9.848,74 0.577,75 1.246,76 21.483,77 9.771,78 79.883,79 11.8,80 0.38,81 1.204,82 20.941,83 9.386,84 48.934,85 10.578,86 0.361,87 1.234,88 21.734,89 9.577,90 54.578,91 11.987,92 0.312,93 1.144,94 20.98,95 8.993,96 38.614,97 10.536,98 0.397,99 1.106,100 21.159,101 8.672,102 53.849,103 10.032,104 17,105 49,106 0.242,107 0.569,108 0.718,109 0.831,110 0.878,111 0.878,112 3.409,113 0.833,114 -4.49,115 -4.42,116 -4.16,119 52.2,124 1,135 1,138 1,142 10,143 5,144 3,151 1,152 1,157 1,172 13,175 7,180 4,183 19,186 1,187 5,195 17,199 7,202 3,203 1,204 2,207 16,211 1,212 4,217 1,220 14,223 1,224 7,227 1,229 2,232 9,237 8,242 2,245 7,250 6,253 1,255 2,258 7,263 3,266 1,268 4,271 8,275 1278,276 19.654,277 19.654,278 19.654,279 19.654,280 19.654,281 16.706,282 14.067,283 11.327,284 19.907,285 16.305,286 16.305,287 16.305,288 16.305,289 16.305,290 11.785,291 17.072,292 5.385,293 16.741,294 4.077,295 2.125,296 1.233,297 0.555,298 0.277,299 0.277,300 4.117,304 1,305 1,306 655,307 2.646,310 108.787,311 219.022,314 211.029,318 1.334,319 31.728,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.5,331 294,332 4.749,333 3.76,334 6.999,335 4.305,336 3.322,337 4.726,338 0.86,339 11.953,340 3.267,341 4.589,342 3.31,343 6.871,344 4.215,345 3.235,346 4.249,348 11.39,349 3.169,350 4.059,351 2.922,352 6.064,353 3.658,354 2.675,355 3.642,357 8.684,358 2.629,359 3.91,360 2.695,361 5.764,362 3.46,363 2.492,364 3.354,366 7.754,367 2.405,368 3.516,369 2.578,370 5.39,371 3.093,372 2.124,373 2.885,375 6.48,376 2.055,377 3.414,378 2.298,379 5.14,380 2.944,381 1.997,382 2.81,384 6.007,385 1.904,386 3.313,387 2.164,388 4.971,389 2.895,390 1.924,391 2.587,393 5.53,394 1.839,395 3.175,396 1.973,397 4.834,398 2.733,399 1.759,400 2.402,402 5.12,403 1.697,404 2.878,405 1.758,406 4.239,407 2.43,408 1.451,409 2.03,411 3.61,412 1.417,413 2.756,414 1.488,415 4.223,416 2.256,417 1.266,418 1.803,420 3.382,421 1.244,422 2.622,423 1.208,424 3.698,425 2.122,426 1.15,427 1.594,428 2.824,429 1.107,430 2.5,431 1,432 3.505,433 2,434 1,435 1.5,436 2.417,437 1,438 2.363,439 0.986,440 3.247,441 1.92,442 0.939,443 1.292,445 2.136,446 0.917,447 1.449,448 0.72,449 3.047,450 0.979,451 -0.003,452 -0.004,454 -0.009,455 -0.003,456 1.177,457 0.124,458 2.725,459 0.764,460 -0.189,461 -0.242,463 -0.498,464 -0.177,465 13.733,466 0.474,467 0.819,468 0.028,469 43,470 1.483,471 24.5,472 0.845,473 18.5,474 0.638,475 20.148,476 0.695,477 28.867,478 0.628,479 34.31,480 1.183,481 8.678,482 0.299,483 5.347,484 0.184,485 0.109,487 0.43,493 0.853,494 0.967,495 0.705,496 0.836,497 0.816,498 0.76,499 0.78,500 0.958,501 0.715,502 0.89,503 0.575,504 0.798,505 0.94,506 1.034,507 0.918,508 1.012,509 0.909,510 0.972,511 0.573,512 1.036,513 0.856,514 1.034,515 0.582,516 1.007,517 1.09,518 1.04,519 1.126,520 1.039,521 1.061,522 1.082,523 0.626,524 1.066,525 0.893,526 1.037,527 0.613,528 1.021,529 1.052,530 1.011,531 0.998,532 0.989,533 0.838,534 0.982,535 1.18,536 0.979,537 1.086,538 0.986,539 1.263,540 1.011,541 5.5,542 0.134,543 3.333,544 3.583,545 1.534,546 1.244,547 0.61,548 0.548,549 0.401,550 0.288,551 10385,552 29101,553 2.15,554 37,556 14,557 1,559 2,564 1.724,565 2,566 3.307,567 0.16,573 66.558,574 1.447,575 3.399,576 4.29,577 4.969,578 5.246,579 5.246,580 2.677,581 4.513,582 4.833,583 3.439,584 1396.23,585 8.442,586 18124.2,588 1,591 254.084,592 1.44,593 4.786,594 0.167,595 0.007,596 0.068,597 0.07,598 0.031,599 0.029,600 0.015,601 0.014,602 0.012,603 0.01,604 0.422,605 0.33,606 0.88,607 0.562,608 144.42,609 -0.093,610 0.01,611 0.015,612 0.071,613 -0.145,614 0.065,615 -0.048,616 0.052,617 0.057,618 0.023,619 0.01,620 0.06,621 0.001,622 -0.071,623 -0.047,624 -0.063,625 -0.039,626 -0.065,627 0.343,628 -0.062,629 0.079,630 -0.067,631 0.324,632 -0.05,633 -0.116,634 -0.063,635 -0.188,636 -0.074,637 -0.147,638 -0.134,639 0.139,640 -0.069,641 0.075,642 -0.059,643 0.136,644 -0.018,645 -0.097,646 -0.026,647 -0.008,648 -0.008,649 -0.024,650 0.007,651 -0.094,652 0.012,653 -0.053,654 -0.001,655 -0.101,656 -0.016,657 2.077,658 5.789,659 0.828,660 23.382,661 1.01,662 1.101,663 3.261,664 10.632,665 0.716,666 3.526,667 3.912,668 4.263,669 4.625,670 4.852,671 4.984,672 5.159,673 5.323,674 5.434,675 5.537,676 6.02,677 0.698,678 383.42,679 3.526,680 5.106,681 5.999,682 6.921,683 7.831,684 8.759,685 9.676,686 10.605,687 11.526,688 12.457,689 2.2,697 1,703 2,704 11,709 7,710 1,711 22,716 1,728 2,729 1,731 46,733 24,734 3,735 33,737 50,738 24,739 20,740 8,741 10,742 3,746 5,747 7,761 23,762 1,766 2,771 1,773 1,775 2,778 1,781 17,782 4,783 2,784 5,790 1,794 0.6,795 4,807 1,811 2,812 3,815 2,831 2,840 3,844 1,848 29,853 2,856 1,870 8.7,872 2,873 1,875 1,877 14.5,878 8.683,879 6.167,880 2.625,881 4.987,882 1.603,883 1.01,884 4.051,885 13.264,886 3.85,887 4.546,888 5.234,889 5.914,890 6.487,891 6.89,892 7.376,893 7.864,894 8.253,895 8.701,896 0.857,897 51,898 10.745,900 4.826,901 7.874,902 20.149,904 17.126,905 2.374,906 68.833,909 1,910 176.567,911 154.762,912 1.899,914 121.512,917 154.762,918 298.078,919 1.899,920 8.396,922 113.286,923 120.889,924 33.458,925 13.915,926 164.795,928 176.567,929 156.661,930 121.512,933 176.567,934 121.512,937 1.899,938 140.043,939 14.72,941 176.567,942 123.411,943 154.762,946 176.567,947 33.08,948 123.582,950 121.512,951 176.567,952 123.411,953 154.762,955 0.594,956 0.362,957 0.214,958 0.115,959 27,960 12,961 0.04,962 2,963 2,964 1.167,965 3.947,966 280.161,967 0.167,968 24,969 136.881,974 17.74,975 6.623,976 2.85,977 2.037,978 121.512,979 20.545,984 2.734,985 2.004,986 85.367,987 454.739,988 46,993 12.789,995 1.688,997 -0.303,999 46.48,1000 50.658,1001 0.262,1002 0.615,1003 0.777,1004 0.9,1005 0.95,1006 0.95,1007 5.109,1008 1.759,1009 6.014,1010 5.53,1011 4.595,1012 5.234,1013 0.908,1014 6.905,1015 4.545,1016 6.363,1017 1.451,1018 7.619,1019 5.12,1020 4.29,1021 5.156,1023 7.936,1024 4.207,1025 7.706,1026 1.266,1027 9.326,1028 3.61,1029 6.26,1030 7.547,1031 0.739,1032 11.112,1033 6.17,1034 9.088,1035 1.15,1036 11.092,1037 3.382,1038 6.781,1039 8.309,1041 13.002,1042 6.666,1043 10.503,1044 1,1045 12.898,1046 2.824,1047 8.246,1048 10.178,1049 0.593,1050 15.699,1051 8.123,1052 11.944,1053 0.939,1054 14.731,1055 2.417,1056 9.145,1057 11.346,1059 17.938,1060 9,1061 13.405,1062 -0.003,1063 16.584,1064 2.136,1065 10.423,1066 13.005,1067 0.469,1068 20.478,1069 10.267,1070 3.322,1071 -0.189,1072 18.454,1073 -0.009,1074 11.488,1075 14.368,1077 22.853,1078 11.312,1079 3.235,1080 11.953,1081 20.336,1082 -0.498,1083 12.7,1084 15.945,1085 0.366,1086 25.341,1087 12.51,1088 2.675,1089 11.39,1090 22.228,1091 4.726,1092 13.834,1093 17.399,1095 27.77,1096 13.626,1097 2.492,1098 8.684,1099 24.129,1100 4.249,1101 15.026,1102 18.945,1103 0.283,1104 30.24,1105 14.802,1106 2.124,1107 7.754,1108 26.036,1109 3.642,1110 16.19,1111 20.443,1113 32.69,1114 15.948,1115 1.997,1116 6.48,1117 27.948,1118 3.354,1119 17.376,1120 21.98,1121 0.217,1122 35.157,1123 17.118,1124 1.924,1125 6.007,1126 29.865,1127 2.885,1128 18.553,1129 23.498,1131 37.616,1132 18.277,1133 9657,1134 16342,1135 22.194,1136 32.915,1137 51.555,1138 52.423,1139 52.832,1140 50.78,1141 50.669,1142 69.748,1143 1.72,1144 154.574,1145 49.297,1146 5.569,1147 5.76,1148 6.801,1149 5.372,1150 5.322,1151 7.726,1152 1.72,1153 19.351,1154 5.267,1155 13.749,1156 1.562,1157 1.589,1158 1.601,1159 1.539,1160 1.535,1161 2.114,1162 0.052,1163 4.684,1164 1.494,1165 4.176,1166 4.201,1167 4.145,1168 4.106,1169 7.428,1170 4.112,1171 3.978,1172 3.976,1173 3.955,1174 3.884,1175 6.492,1176 3.899,1177 3.846,1178 3.88,1179 3.776,1180 3.777,1181 6.445,1182 3.773,1183 3.513,1184 3.535,1185 3.456,1186 3.417,1187 4.962,1188 3.42,1189 3.404,1190 3.454,1191 3.306,1192 3.232,1193 4.754,1194 3.246,1195 3.101,1196 3.14,1197 3.005,1198 2.963,1199 4.693,1200 2.964,1201 2.982,1202 2.995,1203 2.898,1204 2.794,1205 4.285,1206 2.803,1207 2.901,1208 2.964,1209 2.748,1210 2.744,1211 4.103,1212 2.745,1213 0.144,1214 0.114,1215 0.212,1216 0.13,1217 0.101,1218 4.749,1219 0.143,1220 3.76,1221 0.026,1222 6.999,1223 0.362,1224 4.305,1225 0.099,1226 3.322,1227 4.726,1228 0.86,1229 11.953,1230 3.267,1231 2.019,1232 2.002,1233 2.098,1234 2.077,1235 1.258,1236 2.085,1237 1.851,1238 1.846,1239 1.916,1240 1.952,1241 1.038,1242 1.937,1243 1.787,1244 1.757,1245 1.911,1246 1.901,1247 0.995,1248 1.907,1249 1.663,1250 1.63,1251 1.792,1252 1.81,1253 0.9,1254 1.808,1255 1.369,1256 1.328,1257 1.569,1258 1.575,1259 0.633,1260 1.566,1261 1.078,1262 1.047,1263 1.246,1264 1.268,1265 0.327,1266 1.259,1267 0.931,1268 0.892,1269 1.181,1270 1.117,1271 0.223,1272 1.107,1273 0.886,1274 0.84,1275 1.128,1276 1.107,1277 0.218,1278 1.105,1279 4.205,1281 5.572,1282 3.045,1283 7.135,1284 5.533,1285 8.79,1286 7.727,1287 10.495,1289 1.953,1294 19.715,1297 5.671,1305 32.095,1306 66.558,1307 156.335,1308 197.355,1309 228.574,1310 241.329,1311 241.329,1312 51.884,1313 8.277,1314 75.6,1315 75.6,1316 28,1317 12.96,1318 4.644,1319 3.807,1320 39.416,1321 104,1322 101,1323 0.185,1324 191.67,1325 332.84,1326 459.435,1327 47589,1329 20.121,1330 0.694,1331 0.537,1332 20.121,1333 15.586,1334 14.025,1335 0.425,1336 0.278,1337 9.061,1338 13.602,1339 8.843,1340 7.308,1341 14.025,1342 9.164,1343 13.189,1344 0.269,1345 0.144,1346 13.189,1347 7.039,1348 11.511,1349 0.164,1350 0.074,1351 11.511,1352 5.152,1353 10.675,1354 0.106,1355 0.038,1356 10.675,1357 3.867,1358 8.399,1359 0.066,1360 0.021,1361 8.399,1362 2.622,1363 0.284,1364 87.357,1365 0.212,1366 26.92,1367 0.532,1368 164,1369 475.416,1370 176.6,1371 463.188,1372 642.06,1373 432,1374 201,1375 485.787,1376 214.572,1377 494.057,1378 731.71,1379 466,1380 5.83}
{0 CHEMBL1091130,1 1.649,2 13.471,3 1.878,4 3.528,5 124.357,6 8.027,7 0.579,8 4.172,9 4.29,10 3.806,11 3.671,12 5.331,13 3.687,14 4.697,15 4.862,16 4.149,17 4.05,18 5.84,19 4.046,20 4.918,21 5.12,22 4.183,23 4.174,24 5.993,25 4.141,26 4.928,27 5.147,28 4.176,29 4.173,30 6.03,31 4.13,32 4.931,33 5.136,34 4.191,35 4.169,36 6.099,37 4.139,38 4.911,39 5.106,40 4.156,41 4.191,42 6.018,43 4.148,44 4.932,45 5.138,46 4.074,47 4.216,48 5.97,49 4.132,50 4.973,51 5.214,52 3.932,53 4.152,54 5.987,55 4.022,56 0.093,57 0.918,58 10.155,59 4.484,60 10.246,61 5.642,62 0.49,63 1.446,64 20.393,65 7.309,66 35.898,67 9.378,68 0.595,69 1.697,70 28.058,71 9.145,72 50.752,73 12.394,74 0.481,75 1.723,76 28.371,77 9.63,78 44.616,79 13.388,80 0.577,81 1.66,82 28.868,83 9.597,84 67.672,85 12.903,86 0.574,87 1.676,88 27.065,89 9.499,90 55.128,91 12.411,92 0.542,93 1.661,94 27.882,95 10.723,96 41.857,97 14.541,98 0.476,99 1.588,100 31.954,101 12.92,102 57.102,103 17.99,104 7,105 52,106 0.266,107 0.629,108 0.776,109 0.821,110 0.826,111 0.832,112 3.561,113 0.863,114 -3.35,115 -3.34,116 -3.2,119 42.1,125 5,142 7,143 2,144 2,145 2,147 1,149 1,151 1,154 1,159 1,161 1,172 5,174 3,175 9,178 2,179 1,180 4,183 5,186 2,187 7,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 2,212 9,217 2,220 3,223 1,224 6,227 3,229 1,232 8,236 4,237 2,245 6,249 2,250 6,253 4,255 1,258 2,263 6,268 1,275 2240,276 23.662,277 23.662,278 23.662,279 23.662,280 23.662,281 20.868,282 28.363,283 14.347,284 24.271,285 18.806,286 18.806,287 18.806,288 18.806,289 18.806,290 14.523,291 40.976,292 6.812,293 19.78,294 4.184,295 1.924,296 1.011,297 0.737,298 0.702,299 0.667,300 4.272,304 1,305 1,306 1011,307 3.391,310 85.212,311 430.063,314 149.598,318 2.121,319 33.428,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 74.5,331 458,332 4.674,333 3.562,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.397,340 3.085,341 4.173,342 3.358,343 6.112,344 3.778,345 2.802,346 3.792,347 1.38,348 8.949,349 2.734,350 3.977,351 3.036,352 6.098,353 3.609,354 2.676,355 3.479,356 0.86,357 8.83,358 2.542,359 3.903,360 2.846,361 5.568,362 3.588,363 2.643,364 3.308,365 0.8,366 7.635,367 2.443,368 3.757,369 2.746,370 5.323,371 3.366,372 2.401,373 3.139,374 0.247,375 6.925,376 2.313,377 3.405,378 2.547,379 5.132,380 2.97,381 2.019,382 2.655,384 5.869,385 1.929,386 3.209,387 2.406,388 4.678,389 2.917,390 1.939,391 2.306,393 5.114,394 1.868,395 2.968,396 2.306,397 4.419,398 2.483,399 1.556,400 2.176,402 4.262,403 1.436,404 2.847,405 1.876,406 4.368,407 2.449,408 1.496,409 1.976,411 3.962,412 1.421,413 2.825,414 1.535,415 3.762,416 2.315,417 1.374,418 1.875,420 2.995,421 1.286,422 2.576,423 1.519,424 3.569,425 2.111,426 1.19,427 1.516,428 2.902,429 1.081,430 2.5,431 1.31,432 3.435,433 2.036,434 1.029,435 1.5,436 2.275,437 1.027,438 2.5,439 1.256,440 3.414,441 2,442 1,443 1.5,445 2.178,446 1,447 2.448,448 1,449 3.247,450 1.984,451 1,452 1.383,454 2.136,455 0.983,456 2.071,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.8,466 0.465,467 0.636,468 0.019,469 48.5,470 1.426,471 24.5,472 0.721,473 24,474 0.706,475 25.169,476 0.74,477 35.8,478 0.628,479 38.876,480 1.143,481 9.869,482 0.29,483 6.839,484 0.201,485 0.042,487 0.304,493 0.811,494 1.51,495 0.706,496 1.137,497 0.549,498 0.933,499 0.989,500 1.074,501 0.923,502 0.93,503 0.656,504 0.915,505 1.083,506 1.147,507 1.013,508 0.94,509 0.898,510 0.954,511 0.798,512 1.046,513 0.926,514 1.01,515 0.703,516 0.98,517 1.077,518 1.04,519 0.954,520 0.942,521 1.206,522 0.92,523 1.061,524 0.949,525 1.112,526 1.003,527 1.019,528 1.048,529 0.691,530 0.991,531 1.103,532 1.162,533 0.541,534 1.201,535 0.434,536 0.981,537 0.925,538 1.281,539 0.544,540 1.235,541 5.5,542 0.186,543 3.111,544 1.819,545 1.569,546 1.459,547 0.785,548 0.278,549 0.296,550 0.257,551 18155,552 52485,553 2.163,554 40.4,556 17,557 1,558 3,559 2,564 1.76,565 2.082,566 3.662,567 0.235,569 1,573 93.987,574 1.649,575 3.909,576 4.821,577 5.096,578 5.131,579 5.166,580 3.065,581 4.735,582 5.054,583 3.883,584 2178.26,585 8.865,586 33890.7,591 332.475,592 1.166,593 5.043,594 0.145,595 0.007,596 0.06,597 0.034,598 0.03,599 0.028,600 0.015,601 0.006,602 0.008,603 0.009,604 0.342,605 0.33,606 0.88,607 0.689,608 183.343,609 -0.075,610 -0.321,611 0.059,612 -0.126,613 -0.018,614 -0.027,615 -0.011,616 0.053,617 -0.046,618 0.028,619 -0.002,620 -0.017,621 -0.13,622 -0.101,623 -0.07,624 0.021,625 -0.09,626 -0.009,627 -0.014,628 0.002,629 0.014,630 -0.046,631 0.03,632 -0.012,633 -0.085,634 -0.024,635 0.006,636 0.032,637 -0.045,638 0.041,639 -0.127,640 0.11,641 -0.191,642 -0.031,643 -0.092,644 -0.104,645 0.055,646 0.021,647 -0.187,648 -0.142,649 0.023,650 -0.197,651 0.247,652 -0.1,653 0.061,654 -0.211,655 0.143,656 -0.139,657 2.016,658 5.258,659 0.794,660 41.287,661 1.013,662 1.13,663 2.124,664 4.513,665 0.675,666 3.664,667 3.97,668 4.263,669 4.564,670 4.82,671 4.942,672 5.153,673 5.308,674 5.407,675 5.529,676 7.942,677 0.658,678 457.54,679 3.664,680 5.198,681 6.052,682 6.93,683 7.805,684 8.695,685 9.581,686 10.477,687 11.371,688 12.272,689 12.3,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 57,733 24,734 1,735 38,737 61,738 24,739 17,740 2,741 4,746 5,747 6,751 1,761 19,762 5,766 2,771 2,773 1,775 1,778 1,781 23,782 9,783 2,784 10,790 7,794 0.8,795 3,805 1,806 1,807 1,811 1,812 4,815 1,820 1,839 1,840 4,848 34,854 5,855 2,856 1,859 1,870 5.3,873 2,874 1,877 16.333,878 10.167,879 7.556,880 3.307,881 4.065,882 1.49,883 1.013,884 6.586,885 12.355,886 3.951,887 4.535,888 5.138,889 5.777,890 6.344,891 6.712,892 7.22,893 7.674,894 8,895 8.407,896 0.889,897 53,898 12.535,900 5.342,901 7.804,902 23.759,904 19.37,905 2.304,906 78.333,910 247.193,911 142.321,912 91.401,914 61.29,917 142.321,918 308.483,919 91.401,921 51.523,922 75.381,923 160.099,924 36.718,925 18.375,926 200.109,928 247.193,929 233.723,930 61.29,933 249.521,934 50.29,935 11,937 73.233,938 96.381,939 61.781,941 247.193,942 152.691,943 142.321,946 247.193,947 37.421,948 109.924,949 36.022,950 111.646,951 247.193,952 152.691,953 142.321,955 0.568,956 0.331,957 0.191,958 0.108,959 25,960 10,961 0.098,962 6,963 1,964 1.074,965 4.573,966 322.674,967 0.074,968 27,969 160.974,974 22.17,975 10.099,976 4.998,977 1.607,978 150.792,979 17.763,980 13.553,984 3.462,985 1.816,986 36.022,987 542.205,988 51,993 23.423,995 0.854,997 -0.349,999 57.763,1000 64.438,1001 0.283,1002 0.67,1003 0.827,1004 0.874,1005 0.88,1006 0.886,1007 5.173,1008 1.556,1009 6.014,1010 5.114,1011 4.654,1012 5.223,1013 2.489,1014 6.815,1015 4.557,1016 6.362,1017 1.496,1018 7.555,1019 4.262,1020 4.111,1021 4.945,1022 1.305,1023 7.678,1024 3.97,1025 7.656,1026 1.374,1027 9.2,1028 3.962,1029 6.225,1030 7.423,1031 2.995,1032 10.815,1033 6.028,1034 8.989,1035 1.19,1036 10.909,1037 2.995,1038 6.553,1039 8.048,1040 2.354,1041 12.564,1042 6.31,1043 10.359,1044 1.029,1045 12.66,1046 2.902,1047 8.088,1048 9.962,1049 3.702,1050 15.204,1051 7.794,1052 11.756,1053 1,1054 14.442,1055 2.275,1056 8.834,1057 11.032,1058 3.414,1059 17.328,1060 8.489,1061 13.174,1062 1,1063 16.246,1064 2.178,1065 10.127,1066 12.711,1067 4.509,1068 19.808,1069 9.733,1070 3.255,1071 1,1072 18.067,1073 2.136,1074 11.081,1075 14.01,1076 4.466,1077 22.097,1078 10.634,1079 2.802,1080 11.397,1081 19.902,1082 2.136,1083 12.277,1084 15.589,1085 5.378,1086 24.53,1087 11.779,1088 2.676,1089 8.949,1090 21.749,1091 4.627,1092 13.333,1093 17.004,1094 5.504,1095 26.892,1096 12.782,1097 2.643,1098 8.83,1099 23.605,1100 3.792,1101 14.495,1102 18.545,1103 6.287,1104 29.315,1105 13.892,1106 2.401,1107 7.635,1108 25.469,1109 3.479,1110 15.603,1111 20.017,1112 6.531,1113 31.712,1114 14.945,1115 2.019,1116 6.925,1117 27.34,1118 3.308,1119 16.757,1120 21.546,1121 7.225,1122 34.135,1123 16.047,1124 1.939,1125 5.869,1126 29.217,1127 3.139,1128 17.893,1129 23.046,1130 7.551,1131 36.549,1132 17.127,1133 16889,1134 28861,1135 26.235,1136 38.495,1137 56.758,1138 58.786,1139 57.479,1140 56.341,1141 56.336,1142 74.547,1143 9.886,1144 158.586,1145 53.687,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 3.036,1153 18.806,1154 5.085,1155 11.318,1156 1.494,1157 1.547,1158 1.513,1159 1.483,1160 1.483,1161 1.962,1162 0.26,1163 4.173,1164 1.413,1165 4.14,1166 4.184,1167 4.115,1168 4.004,1169 7.452,1170 4.026,1171 3.914,1172 3.955,1173 3.862,1174 3.817,1175 7.431,1176 3.821,1177 3.848,1178 3.888,1179 3.789,1180 3.74,1181 5.081,1182 3.749,1183 3.745,1184 3.803,1185 3.632,1186 3.518,1187 4.908,1188 3.536,1189 3.486,1190 3.532,1191 3.419,1192 3.26,1193 4.715,1194 3.287,1195 3.395,1196 3.435,1197 3.323,1198 3.137,1199 4.615,1200 3.178,1201 3.182,1202 3.231,1203 3.116,1204 2.955,1205 4.371,1206 2.994,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.077,1212 2.91,1213 0.123,1214 0.094,1215 0.18,1216 0.111,1217 0.086,1218 4.674,1219 0.122,1220 3.562,1221 0.044,1222 6.841,1223 0.3,1224 4.202,1225 0.081,1226 3.255,1227 4.627,1228 1.656,1229 11.397,1230 3.085,1231 1.952,1232 1.921,1233 2.03,1234 2.089,1235 1.223,1236 2.068,1237 1.826,1238 1.786,1239 1.941,1240 1.992,1241 1.108,1242 1.979,1243 1.791,1244 1.753,1245 1.926,1246 1.942,1247 0.977,1248 1.941,1249 1.645,1250 1.586,1251 1.804,1252 1.887,1253 0.947,1254 1.868,1255 1.56,1256 1.514,1257 1.72,1258 1.744,1259 0.853,1260 1.736,1261 1.264,1262 1.22,1263 1.513,1264 1.558,1265 0.825,1266 1.511,1267 1.153,1268 1.106,1269 1.405,1270 1.41,1271 0.417,1272 1.429,1273 1.151,1274 1.064,1275 1.329,1276 1.376,1277 0.299,1278 1.394,1279 4.344,1281 5.652,1282 2.398,1283 7.162,1284 4.727,1285 8.762,1286 6.843,1287 10.414,1295 2.966,1296 5.561,1297 5.495,1300 2.182,1305 37.509,1306 93.987,1307 222.795,1308 274.823,1309 290.475,1310 292.475,1311 294.475,1312 52.185,1313 8.29,1314 114.27,1315 114.27,1316 29,1317 12.795,1318 4.644,1319 3.807,1320 50.086,1321 159,1322 182,1323 0.15,1324 228.44,1325 390.05,1326 549.153,1327 50281,1329 23.33,1330 0.686,1331 0.54,1332 23.33,1333 18.347,1334 16.708,1335 0.44,1336 0.288,1337 10.722,1338 15.887,1339 10.575,1340 8.688,1341 16.708,1342 10.928,1343 14.609,1344 0.281,1345 0.149,1346 14.609,1347 7.735,1348 12.395,1349 0.177,1350 0.079,1351 12.395,1352 5.52,1353 10.824,1354 0.114,1355 0.041,1356 10.824,1357 3.853,1358 8.908,1359 0.072,1360 0.021,1361 8.908,1362 2.59,1363 0.238,1364 105.814,1365 0.195,1366 31.708,1367 0.401,1368 180,1369 570.098,1370 201.297,1371 543.838,1372 744.12,1373 512,1374 212,1375 544.239,1376 233.468,1377 547.177,1378 802.73,1379 516,1380 8.699}
{0 CHEMBL1091158,1 1.63,2 14.838,3 3.656,4 13.368,5 139.44,6 7.517,7 0.537,8 4.314,9 4.443,10 3.891,11 3.794,12 5.411,13 3.794,14 4.863,15 5.054,16 4.246,17 4.18,18 5.955,19 4.163,20 5.084,21 5.295,22 4.278,23 4.322,24 6.134,25 4.269,26 5.159,27 5.415,28 4.247,29 4.316,30 6.151,31 4.243,32 5.101,33 5.338,34 4.278,35 4.307,36 6.148,37 4.255,38 5.075,39 5.274,40 4.283,41 4.368,42 6.113,43 4.309,44 5.157,45 5.381,46 4.221,47 4.4,48 6.209,49 4.299,50 5.155,51 5.404,52 4.091,53 4.342,54 6.069,55 4.204,56 0.063,57 1.114,58 13.649,59 5.535,60 8.575,61 7.507,62 0.522,63 1.747,64 27.229,65 8.907,66 36.567,67 12.409,68 0.545,69 2.081,70 35.163,71 11.471,72 52.446,73 16.184,74 0.546,75 2.086,76 39.905,77 12.442,78 61.161,79 18.585,80 0.645,81 1.971,82 37.07,83 11.168,84 64.616,85 16.647,86 0.475,87 2.044,88 33.757,89 11.689,90 46.386,91 16.303,92 0.747,93 2.103,94 37.95,95 13.353,96 80.642,97 19.18,98 0.468,99 1.979,100 39.042,101 15.175,102 58.472,103 21.662,104 20,105 57,106 0.256,107 0.584,108 0.717,109 0.793,110 0.808,111 0.812,112 3.642,113 0.896,114 -4.87,115 -4.78,116 -4.48,119 40.3,124 2,125 6,142 9,143 2,144 3,147 1,149 1,151 1,159 1,161 1,172 7,174 3,175 7,178 2,179 1,180 4,183 6,186 2,187 7,192 4,195 4,198 3,199 10,204 5,207 1,211 2,212 11,217 4,220 3,224 6,227 2,229 1,232 8,236 4,237 2,245 10,249 2,250 4,253 4,255 1,258 6,263 4,268 1,271 2,275 2935,276 25.101,277 25.101,278 25.101,279 25.101,280 25.101,281 22.412,282 31.44,283 14.937,284 25.852,285 20.29,286 20.29,287 20.29,288 20.29,289 20.29,290 16.14,291 41.354,292 7.195,293 21.506,294 4.436,295 2.34,296 1.493,297 1.008,298 0.918,299 0.888,300 4.349,305 1,306 1198,307 3.873,310 95.304,311 479.119,314 167.839,318 2.247,319 35.417,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 81,331 549,332 4.674,333 3.562,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.349,343 6.112,344 3.779,345 2.804,346 3.792,347 0.86,348 8.949,349 2.735,350 4.045,351 2.919,352 6.099,353 3.647,354 2.686,355 3.628,356 0.8,357 8.833,358 2.581,359 3.909,360 2.916,361 5.582,362 3.593,363 2.675,364 3.31,365 0.8,366 7.673,367 2.446,368 3.798,369 2.801,370 5.362,371 3.427,372 2.466,373 3.151,374 0.247,375 7.025,376 2.362,377 3.531,378 2.567,379 5.143,380 3.144,381 2.222,382 2.833,384 5.945,385 2.056,386 3.273,387 2.446,388 4.96,389 3.112,390 2.165,391 2.466,393 5.883,394 2.03,395 3.239,396 2.364,397 4.652,398 2.872,399 1.952,400 2.329,402 5.07,403 1.79,404 3.108,405 2.308,406 4.612,407 2.785,408 1.807,409 2.154,411 4.919,412 1.743,413 2.953,414 1.894,415 4.401,416 2.437,417 1.496,418 2.141,420 4.23,421 1.412,422 2.729,423 1.535,424 4.332,425 2.38,426 1.463,427 1.799,428 3.88,429 1.325,430 2.5,431 1.322,432 3.761,433 2.078,434 1.164,435 1.5,436 2.906,437 1.059,438 2.5,439 1.256,440 3.432,441 2,442 1,443 1.5,445 2.275,446 1,447 2.471,448 1,449 3.414,450 2,451 1,452 1.464,454 2.275,455 1,456 2.111,457 1,458 3.414,459 1.952,460 1,461 1.041,463 2.136,464 0.946,465 17.252,466 0.466,467 0.886,468 0.024,469 48.75,470 1.318,471 23,472 0.622,473 25.75,474 0.696,475 31.728,476 0.858,477 40.348,478 0.602,479 41.334,480 1.117,481 9.925,482 0.268,483 8.032,484 0.217,485 0.094,487 0.33,491 1,493 0.768,494 1.435,495 0.758,496 1.197,497 0.567,498 1.008,499 0.959,500 0.96,501 0.884,502 0.853,503 0.563,504 0.846,505 1.083,506 1.166,507 1.055,508 1.058,509 0.937,510 1.049,511 0.785,512 0.979,513 0.868,514 0.942,515 0.741,516 0.913,517 0.878,518 0.806,519 0.879,520 0.806,521 0.851,522 0.822,523 0.981,524 1.013,525 1.101,526 1.084,527 0.914,528 1.102,529 0.617,530 0.857,531 1.1,532 1.115,533 0.427,534 1.18,535 0.412,536 0.982,537 0.919,538 1.243,539 0.416,540 1.208,541 7.5,542 0.236,543 3.778,544 1.882,545 1.84,546 1.601,547 0.978,548 0.34,549 0.485,550 0.377,551 22640,552 61277,553 2.116,554 44.8,556 27,557 1,559 2,564 1.781,565 2,566 3.789,567 0.189,573 109.188,574 1.63,575 3.726,576 4.573,577 5.058,578 5.148,579 5.178,580 3.222,581 4.757,582 5.174,583 4.008,584 2669.17,585 9.111,586 44553.5,591 406.428,592 1.338,593 5.15,594 0.183,595 0.007,596 0.066,597 0.033,598 0.033,599 0.028,600 0.017,601 0.007,602 0.011,603 0.009,604 0.393,605 0.17,606 0.75,607 0.91,608 205.455,609 -0.047,610 -0.295,611 0.064,612 -0.132,613 -0.037,614 -0.033,616 0.096,617 0.039,618 0.115,619 0.078,620 0.088,621 -0.121,622 -0.124,623 -0.109,624 -0.073,625 -0.063,626 -0.088,627 -0.004,628 -0.042,629 0.098,630 0.017,631 0.017,632 0.07,633 -0.028,634 0.102,635 0.079,636 0.141,637 0.001,638 0.138,639 -0.146,640 -0.007,641 -0.193,642 -0.088,643 -0.115,644 -0.135,645 0.109,646 0.096,647 -0.182,648 -0.114,649 0.125,650 -0.186,651 0.179,652 -0.123,653 0.008,654 -0.196,655 0.102,656 -0.15,657 2.078,658 5.343,659 0.73,660 50.368,661 1.007,662 1.138,663 3.639,664 13.243,665 0.657,666 3.738,667 4.06,668 4.317,669 4.605,670 4.883,671 5.011,672 5.22,673 5.384,674 5.501,675 5.635,676 8.558,677 0.631,678 503.64,679 3.738,680 5.283,681 6.129,682 7.008,683 7.877,684 8.764,685 9.646,686 10.541,687 11.432,688 12.331,689 10.4,692 1,695 1,696 2,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,726 1,730 1,731 67,733 23,734 2,735 41,737 71,738 27,739 18,740 4,741 8,746 5,747 6,751 1,761 19,762 8,766 1,771 1,775 1,779 1,781 30,782 9,783 2,784 10,790 7,794 0.8,795 2,806 1,807 1,811 1,812 4,815 1,836 1,839 1,840 4,844 2,846 1,848 37,854 6,855 2,856 1,859 2,869 1,870 3,873 1,874 1,877 18.5,878 12.56,879 8.056,880 3.904,881 4.044,882 1.477,883 1.002,884 7.771,885 12.527,886 3.989,887 4.588,888 5.17,889 5.795,890 6.372,891 6.739,892 7.231,893 7.682,894 8.01,895 8.422,896 0.9,897 57,898 13.695,900 5.81,901 7.757,902 26.163,904 21.322,905 2.257,906 83.5,910 329.591,911 159.774,912 77.74,914 36.145,915 14.96,917 159.774,918 365.736,919 92.7,920 16.793,921 53.629,922 94.334,923 71.431,924 30.869,925 33.335,926 317.82,928 329.591,929 237.514,930 51.105,933 346.879,934 25.145,935 11,937 60.368,938 141.248,939 33.571,941 344.551,942 113.885,943 159.774,946 329.591,947 48.648,948 119.274,949 36.022,950 84.676,951 329.591,952 128.845,953 159.774,955 0.58,956 0.323,957 0.175,958 0.104,959 27,960 12,961 0.099,962 7,963 1,964 1.074,965 4.778,966 359.241,967 0.074,968 27,969 178.75,974 25.305,975 11.363,976 6.145,977 1.925,978 126.946,979 17.176,980 9.9,984 3.149,985 2.167,986 36.022,987 618.21,988 53,993 12.343,997 -0.412,999 67.483,1000 76.229,1001 0.269,1002 0.614,1003 0.754,1004 0.834,1005 0.849,1006 0.854,1007 5.228,1008 1.952,1009 6.107,1010 5.883,1011 4.745,1012 5.276,1013 2.219,1014 6.901,1015 4.636,1016 6.425,1017 1.807,1018 7.65,1019 5.07,1020 4.29,1021 5.075,1022 1.404,1023 7.758,1024 4.12,1025 7.725,1026 1.496,1027 9.291,1028 4.919,1029 6.319,1030 7.474,1031 2.581,1032 10.866,1033 6.109,1034 9.061,1035 1.463,1036 10.992,1037 4.23,1038 6.673,1039 8.127,1040 2.382,1041 12.594,1042 6.405,1043 10.43,1044 1.164,1045 12.733,1046 3.88,1047 8.169,1048 10.007,1049 3.295,1050 15.227,1051 7.862,1052 11.824,1053 1,1054 14.503,1055 2.906,1056 8.914,1057 11.084,1058 3.421,1059 17.339,1060 8.551,1061 13.238,1062 1,1063 16.297,1064 2.275,1065 10.189,1066 12.747,1067 4.17,1068 19.818,1069 9.786,1070 3.255,1071 1,1072 18.109,1073 2.275,1074 11.136,1075 14.045,1076 4.467,1077 22.102,1078 10.677,1079 2.804,1080 11.398,1081 19.936,1082 2.136,1083 12.322,1084 15.617,1085 5.115,1086 24.534,1087 11.819,1088 2.686,1089 8.949,1090 21.776,1091 4.627,1092 13.371,1093 17.028,1094 5.504,1095 26.895,1096 12.813,1097 2.675,1098 8.833,1099 23.626,1100 3.792,1101 14.528,1102 18.565,1103 6.092,1104 29.317,1105 13.921,1106 2.466,1107 7.673,1108 25.486,1109 3.628,1110 15.631,1111 20.034,1112 6.531,1113 31.713,1114 14.969,1115 2.222,1116 7.025,1117 27.353,1118 3.31,1119 16.781,1120 21.559,1121 7.084,1122 34.136,1123 16.069,1124 2.165,1125 5.945,1126 29.227,1127 3.151,1128 17.914,1129 23.057,1130 7.551,1131 36.55,1132 17.145,1133 21296,1134 35281,1135 27.739,1136 44.023,1137 61.571,1138 62.768,1139 62.539,1140 61.331,1141 61.268,1142 78.918,1143 8.726,1144 174.046,1145 57.905,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 2.912,1153 18.808,1154 5.085,1155 17.323,1156 1.502,1157 1.531,1158 1.525,1159 1.496,1160 1.494,1161 1.925,1162 0.213,1163 4.245,1164 1.412,1165 4.143,1166 4.188,1167 4.116,1168 4.006,1169 8.201,1170 4.028,1171 3.931,1172 3.967,1173 3.882,1174 3.834,1175 7.431,1176 3.839,1177 3.872,1178 3.904,1179 3.816,1180 3.801,1181 5.083,1182 3.8,1183 3.748,1184 3.811,1185 3.634,1186 3.523,1187 4.723,1188 3.54,1189 3.632,1190 3.716,1191 3.493,1192 3.411,1193 4.659,1194 3.418,1195 3.448,1196 3.496,1197 3.399,1198 3.188,1199 4.614,1200 3.233,1201 3.282,1202 3.351,1203 3.202,1204 3.039,1205 4.404,1206 3.071,1207 3.111,1208 3.206,1209 2.956,1210 2.941,1211 4.273,1212 2.91,1213 0.114,1214 0.087,1215 0.167,1216 0.102,1217 0.079,1218 4.674,1219 0.113,1220 3.562,1221 0.04,1222 6.841,1223 0.278,1224 4.202,1225 0.075,1226 3.255,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.922,1233 2.032,1234 2.091,1235 1.227,1236 2.071,1237 1.877,1238 1.849,1239 1.979,1240 2.003,1241 1.169,1242 1.995,1243 1.797,1244 1.758,1245 1.936,1246 1.947,1247 1.103,1248 1.949,1249 1.697,1250 1.624,1251 1.916,1252 1.939,1253 1.045,1254 1.937,1255 1.578,1256 1.528,1257 1.731,1258 1.787,1259 0.881,1260 1.774,1261 1.439,1262 1.357,1263 1.681,1264 1.678,1265 0.825,1266 1.683,1267 1.271,1268 1.226,1269 1.513,1270 1.568,1271 0.776,1272 1.52,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.493,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.246,1284 4.727,1285 8.84,1286 6.843,1287 10.484,1289 4.113,1291 13.09,1295 4.615,1296 5.481,1297 5.554,1300 4.401,1305 42.284,1306 109.188,1307 249.621,1308 306.389,1309 338.918,1310 344.918,1311 346.918,1312 63.313,1313 8.483,1314 87.55,1315 87.55,1316 29,1317 12.856,1318 4.585,1319 3.7,1320 56.824,1321 185,1322 228,1323 0.145,1324 257.346,1325 441.87,1326 619.684,1327 63880,1328 1.5,1329 25.777,1330 0.697,1331 0.566,1332 24.907,1333 20.947,1334 17.958,1335 0.438,1336 0.299,1337 12.007,1338 17.064,1339 11.73,1340 9.702,1341 17.564,1342 12.244,1343 16.413,1344 0.288,1345 0.161,1346 15.791,1347 9.183,1348 13.261,1349 0.179,1350 0.084,1351 12.85,1352 6.2,1353 11.143,1354 0.113,1355 0.043,1356 11.001,1357 4.212,1358 9.476,1359 0.072,1360 0.022,1361 9.185,1362 2.943,1363 0.231,1364 113.753,1365 0.19,1366 34.041,1367 0.386,1368 196,1369 622.473,1370 219.716,1371 573.115,1372 780.38,1373 538,1374 229,1375 572.141,1376 252.854,1377 573.647,1378 840.77,1379 538,1380 7.62}
{0 CHEMBL1091159,1 1.544,2 12.406,3 2.223,4 4.941,5 124.194,6 6.946,7 0.457,8 4.237,9 4.378,10 3.749,11 3.676,12 5.262,13 3.665,14 4.806,15 5.021,16 4.085,17 4.061,18 5.798,19 4.027,20 5.006,21 5.235,22 4.125,23 4.215,24 5.947,25 4.144,26 5.082,27 5.342,28 4.131,29 4.233,30 6.022,31 4.149,32 5.039,33 5.282,34 4.148,35 4.237,36 6.008,37 4.171,38 5.009,39 5.217,40 4.16,41 4.301,42 5.957,43 4.222,44 5.111,45 5.349,46 4.047,47 4.315,48 5.988,49 4.191,50 5.095,51 5.363,52 3.924,53 4.22,54 5.935,55 4.06,56 0.021,57 0.978,58 14.461,59 4.954,60 8.61,61 7.589,62 0.497,63 1.501,64 28.01,65 7.889,66 35.191,67 12.417,68 0.42,69 1.749,70 34.241,71 10.057,72 39.1,73 15.963,74 0.415,75 1.813,76 37.452,77 10.912,78 51.647,79 17.584,80 0.498,81 1.777,82 35.827,83 10.179,84 54.46,85 16.256,86 0.306,87 1.844,88 33.309,89 11.111,90 35.014,91 16.889,92 0.468,93 1.875,94 37.776,95 12.52,96 42.047,97 19.133,98 0.377,99 1.704,100 37.669,101 13.576,102 50.51,103 20.369,104 30,105 48,106 0.248,107 0.575,108 0.748,109 0.816,110 0.816,111 0.816,112 3.503,113 0.947,114 -3.9,115 -3.86,116 -3.66,119 36.5,120 1,124 2,125 7,142 5,143 2,144 1,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 7,178 2,179 1,180 3,183 4,186 2,187 7,192 2,195 2,198 3,199 9,204 4,207 1,211 2,212 9,217 2,220 3,224 6,227 2,229 1,232 6,236 4,237 2,245 4,249 2,250 4,253 4,255 1,258 1,263 4,268 1,275 1942,276 21.8,277 21.8,278 21.8,279 21.8,280 21.8,281 19.887,282 28.231,283 13.147,284 22.531,285 17.289,286 17.289,287 17.289,288 17.289,289 17.289,290 14.219,291 35.692,292 6.229,293 18.394,294 4.433,295 2.393,296 1.319,297 0.893,298 0.893,299 0.893,300 4.199,304 1,305 1,306 846,307 3.873,310 77.575,311 281.157,314 137.433,318 1.881,319 24.503,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 69.5,331 397,332 4.674,333 3.545,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.398,340 3.085,341 4.171,342 3.349,343 6.112,344 3.773,345 2.797,346 3.792,347 0.86,348 8.949,349 2.731,350 3.913,351 2.917,352 6.099,353 3.594,354 2.68,355 3.312,356 0.8,357 8.833,358 2.449,359 3.817,360 2.801,361 5.471,362 3.491,363 2.529,364 3.152,365 0.8,366 7.344,367 2.422,368 3.47,369 2.566,370 5.143,371 3.141,372 2.221,373 2.704,374 0.247,375 5.941,376 2.047,377 3.269,378 2.419,379 4.821,380 3.06,381 2.085,382 2.33,384 5.492,385 2.018,386 3.109,387 2.31,388 4.651,389 2.867,390 1.945,391 2.169,393 5.07,394 1.786,395 2.964,396 1.894,397 4.424,398 2.454,399 1.508,400 2.147,402 4.288,403 1.427,404 2.729,405 1.536,406 4.332,407 2.381,408 1.476,409 1.8,411 3.882,412 1.325,413 2.5,414 1.51,415 3.762,416 2.086,417 1.17,418 1.5,420 2.908,421 1.067,422 2.472,423 1.322,424 3.432,425 2,426 1.015,427 1.466,428 2.275,429 1,430 2.125,431 1.256,432 3.414,433 1.98,434 1,435 1.08,436 2.136,437 0.972,438 2.107,439 1,440 3.247,441 1.952,442 1,443 1.036,445 2.109,446 0.946,447 2,448 0.954,449 3.119,450 1.788,451 0.846,452 1,454 1.68,455 0.793,456 1.603,457 0.584,458 2.976,459 1.38,460 0.432,461 0.492,463 1.031,464 0.408,465 14.967,466 0.468,467 0.712,468 0.022,469 39,470 1.219,471 16.5,472 0.516,473 22.5,474 0.703,475 28.886,476 0.903,477 36.033,478 0.572,479 31.791,480 0.993,481 7.848,482 0.245,483 7.698,484 0.241,485 0.122,487 0.314,493 0.895,494 1.748,495 0.848,496 1.329,497 0.655,498 1.109,499 1.138,500 0.968,501 0.934,502 0.822,503 0.627,504 0.836,505 1.112,506 1.178,507 1.012,508 1.013,509 0.971,510 0.998,511 0.873,512 1.056,513 0.876,514 0.939,515 0.97,516 0.903,517 1.157,518 0.946,519 0.959,520 0.82,521 1.341,522 0.844,523 0.944,524 1.201,525 1.107,526 1.191,527 0.83,528 1.169,529 0.804,530 1.063,531 1.171,532 1.209,533 0.637,534 1.234,535 0.389,536 1.114,537 0.896,538 1.259,539 0.389,540 1.183,541 6,542 0.236,543 3.333,544 1.632,545 1.498,546 1.427,547 0.796,548 0.359,549 0.424,550 0.274,551 13520,552 32708,553 2.082,554 49.2,556 25,557 1,559 2,561 3,564 1.749,565 1.959,566 3.544,567 0.239,569 1,573 97.295,574 1.544,575 3.584,576 4.658,577 5.084,578 5.084,579 5.084,580 3.058,581 4.625,582 4.96,583 3.739,584 1854.49,585 8.711,586 26995.7,588 1,591 376.569,592 1.366,593 4.936,594 0.171,595 0.008,596 0.069,597 0.033,598 0.031,599 0.028,600 0.016,601 0.008,602 0.011,603 0.008,604 0.385,605 0.33,606 1,607 1.438,608 167.658,609 -0.034,610 -0.428,611 0.076,612 -0.181,613 -0.033,614 -0.057,615 0.031,616 0.191,617 0.064,618 0.164,619 0.117,620 0.123,621 -0.092,622 -0.086,623 -0.034,624 -0.004,625 -0.058,626 -0.012,627 0.003,628 -0.022,629 0.099,630 0.043,631 0.026,632 0.081,633 -0.115,634 0.127,635 0.029,636 0.164,637 -0.1,638 0.129,639 -0.108,640 -0.038,641 -0.166,642 -0.12,643 -0.09,644 -0.146,645 -0.014,646 0.017,647 -0.226,648 -0.168,649 -0.088,650 -0.219,651 0.253,652 -0.163,653 0.037,654 -0.198,655 0.191,656 -0.133,657 1.883,658 4.782,659 0.656,660 39.129,661 1,662 1.141,663 2.669,664 7.125,665 0.636,666 3.584,667 3.892,668 4.159,669 4.454,670 4.727,671 4.898,672 5.118,673 5.298,674 5.407,675 5.521,676 7.191,677 0.602,678 437.61,679 3.584,680 5.118,681 5.964,682 6.843,683 7.716,684 8.609,685 9.498,686 10.399,687 11.298,688 12.205,689 11.1,692 1,695 1,696 2,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,726 1,731 63,733 17,734 1,735 35,737 66,738 23,739 12,740 2,741 4,746 4,747 5,751 1,752 1,761 13,762 10,766 1,771 1,775 1,778 1,781 31,782 8,783 2,784 9,790 7,794 0.75,795 2,806 1,807 1,811 1,812 3,815 1,836 1,839 1,840 3,844 3,848 32,854 7,855 2,856 1,859 2,870 3.2,873 1,874 1,877 16.333,878 12.083,879 7.139,880 3.875,881 3.161,882 1.398,883 0.976,884 7.375,885 11.113,886 3.807,887 4.379,888 4.974,889 5.614,890 6.195,891 6.642,892 7.16,893 7.627,894 7.956,895 8.35,896 1,897 49,898 11.834,900 4.89,901 7.615,902 22.955,904 18.461,905 2.115,906 67.667,910 341.362,911 120.922,912 77.74,914 36.145,917 120.922,918 377.507,919 77.74,920 25.618,921 55.735,922 56.429,923 71.431,924 18.991,925 18.375,926 329.591,928 341.362,929 198.662,930 36.145,933 308.377,934 60.458,935 11,937 71.299,938 91.465,939 33.571,941 341.362,942 113.885,943 120.922,946 341.362,947 38.876,948 90.194,949 36.022,950 69.716,951 341.362,952 113.885,953 120.922,955 0.57,956 0.32,957 0.177,958 0.101,959 22,960 10,961 0.106,962 7,963 1,964 1.095,965 4.272,966 294.217,967 0.095,968 21,969 150,974 22.679,975 10.407,976 5.472,977 1.992,978 111.986,979 11.835,980 9.894,984 3.251,985 2.19,986 36.022,987 576.169,988 44,993 11.782,997 -0.216,999 62.97,1000 71.889,1001 0.258,1002 0.6,1003 0.779,1004 0.851,1005 0.851,1006 0.851,1007 5.043,1008 1.508,1009 5.938,1010 5.07,1011 4.575,1012 5.066,1013 2.219,1014 6.742,1015 4.461,1016 6.229,1017 1.476,1018 7.486,1019 4.288,1020 4.111,1021 4.89,1022 1.404,1023 7.636,1024 3.95,1025 7.528,1026 1.17,1027 9.137,1028 3.882,1029 6.151,1030 7.265,1031 2.581,1032 10.758,1033 5.931,1034 8.866,1035 1.015,1036 10.85,1037 2.908,1038 6.524,1039 7.981,1040 2.382,1041 12.526,1042 6.261,1043 10.243,1044 1,1045 12.606,1046 2.275,1047 8.021,1048 9.836,1049 3.295,1050 15.168,1051 7.703,1052 11.646,1053 1,1054 14.391,1055 2.136,1056 8.792,1057 10.974,1058 3.421,1059 17.303,1060 8.43,1061 13.072,1062 0.846,1063 16.199,1064 2.109,1065 10.069,1066 12.624,1067 4.17,1068 19.788,1069 9.655,1070 3.255,1071 0.432,1072 18.025,1073 1.68,1074 11.038,1075 13.966,1076 4.467,1077 22.084,1078 10.576,1079 2.797,1080 11.398,1081 19.864,1082 1.031,1083 12.229,1084 15.534,1085 5.115,1086 24.52,1087 11.715,1088 2.68,1089 8.949,1090 21.715,1091 4.627,1092 13.296,1093 16.974,1094 5.504,1095 26.886,1096 12.731,1097 2.529,1098 8.833,1099 23.575,1100 3.792,1101 14.458,1102 18.512,1103 6.092,1104 29.311,1105 13.842,1106 2.221,1107 7.344,1108 25.443,1109 3.312,1110 15.573,1111 19.998,1112 6.531,1113 31.709,1114 14.905,1115 2.085,1116 5.941,1117 27.317,1118 3.152,1119 16.73,1120 21.526,1121 7.084,1122 34.133,1123 16.009,1124 1.945,1125 5.492,1126 29.197,1127 2.704,1128 17.871,1129 23.034,1130 7.551,1131 36.548,1132 17.095,1133 13173,1134 20637,1135 23.463,1136 40.086,1137 52.244,1138 53.132,1139 53.402,1140 51.969,1141 51.917,1142 65.212,1143 8.726,1144 146.669,1145 48.954,1146 5.674,1147 5.545,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 2.912,1153 18.808,1154 5.085,1155 15.776,1156 1.493,1157 1.518,1158 1.526,1159 1.485,1160 1.483,1161 1.863,1162 0.249,1163 4.191,1164 1.399,1165 4.142,1166 4.187,1167 4.115,1168 4.005,1169 7.431,1170 4.026,1171 3.898,1172 3.934,1173 3.843,1174 3.814,1175 5.082,1176 3.816,1177 3.748,1178 3.811,1179 3.634,1180 3.523,1181 4.718,1182 3.54,1183 3.648,1184 3.728,1185 3.532,1186 3.418,1187 4.615,1188 3.429,1189 3.602,1190 3.679,1191 3.469,1192 3.37,1193 4.409,1194 3.381,1195 3.341,1196 3.413,1197 3.24,1198 3.134,1199 4.275,1200 3.152,1201 3.217,1202 3.287,1203 3.069,1204 2.975,1205 4.217,1206 2.986,1207 3.111,1208 3.206,1209 2.919,1210 2.941,1211 4.003,1212 2.91,1213 0.134,1214 0.101,1215 0.195,1216 0.12,1217 0.093,1218 4.674,1219 0.132,1220 3.545,1221 0.047,1222 6.841,1223 0.326,1224 4.202,1225 0.088,1226 3.255,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.921,1233 2.031,1234 2.09,1235 1.227,1236 2.07,1237 1.8,1238 1.761,1239 1.938,1240 1.968,1241 1.169,1242 1.962,1243 1.697,1244 1.624,1245 1.916,1246 1.94,1247 1.103,1248 1.937,1249 1.583,1250 1.53,1251 1.844,1252 1.83,1253 0.989,1254 1.83,1255 1.55,1256 1.474,1257 1.73,1258 1.765,1259 0.881,1260 1.764,1261 1.438,1262 1.355,1263 1.681,1264 1.677,1265 0.825,1266 1.683,1267 1.188,1268 1.131,1269 1.513,1270 1.465,1271 0.776,1272 1.448,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.492,1278 1.429,1279 4.263,1281 5.572,1282 2.398,1283 7.074,1284 4.727,1285 8.67,1286 6.843,1287 10.321,1289 6.028,1295 5.37,1296 5.555,1297 5.545,1300 4.44,1305 37.901,1306 97.295,1307 225.798,1308 293.475,1309 320.304,1310 320.304,1311 320.304,1312 49.211,1313 7.952,1314 87.55,1315 87.55,1316 23,1317 12.725,1318 4.17,1319 3.322,1320 51.653,1321 133,1322 176,1323 0.187,1324 233.954,1325 397.78,1326 562.608,1327 29976,1329 22.501,1330 0.703,1331 0.593,1332 22.501,1333 18.966,1334 15.546,1335 0.444,1336 0.316,1337 10.829,1338 14.756,1339 10.525,1340 8.757,1341 15.546,1342 11.045,1343 13.84,1344 0.288,1345 0.168,1346 13.84,1347 8.082,1348 11.171,1349 0.177,1350 0.086,1351 11.171,1352 5.436,1353 9.523,1354 0.112,1355 0.044,1356 9.523,1357 3.721,1358 7.812,1359 0.07,1360 0.023,1361 7.812,1362 2.566,1363 0.291,1364 98.464,1365 0.206,1366 29.827,1367 0.518,1368 166,1369 472.362,1370 185.552,1371 451.563,1372 623.58,1373 426,1374 194,1375 462.245,1376 214.444,1377 467.228,1378 687.37,1379 438,1380 6.646}
{0 CHEMBL1091316,1 1.616,2 17.956,3 2.844,4 8.09,5 169.302,6 7.791,7 0.423,8 4.497,9 4.607,10 4.116,11 3.999,12 5.569,13 4.01,14 5.08,15 5.239,16 4.521,17 4.43,18 6.14,19 4.429,20 5.334,21 5.527,22 4.552,23 4.578,24 6.372,25 4.536,26 5.345,27 5.57,28 4.472,29 4.575,30 6.336,31 4.503,32 5.306,33 5.513,34 4.495,35 4.545,36 6.397,37 4.484,38 5.31,39 5.518,40 4.484,41 4.522,42 6.347,43 4.469,44 5.25,45 5.445,46 4.5,47 4.458,48 6.431,49 4.419,50 5.233,51 5.45,52 4.323,53 4.405,54 6.261,55 4.345,56 0.101,57 1.218,58 15.077,59 6.754,60 10.619,61 8.462,62 0.595,63 2.021,64 31.507,65 11.481,66 39.233,67 14.646,68 0.957,69 2.441,70 44.218,71 15.154,72 70.114,73 19.957,74 0.646,75 2.471,76 45.496,77 16.234,78 59.188,79 22.479,80 0.805,81 2.33,82 43.287,83 15.937,84 79.818,85 21.54,86 0.757,87 2.307,88 43.973,89 15.517,90 64.713,91 20.88,92 1.047,93 2.174,94 41.133,95 14.317,96 101.456,97 19.288,98 0.766,99 2.091,100 41.896,101 14.09,102 72.248,103 18.821,104 10,105 76,106 0.244,107 0.608,108 0.789,109 0.842,110 0.854,111 0.854,112 3.832,113 0.881,114 -2.8,115 -2.81,116 -2.72,119 42.3,121 2,124 1,125 6,127 2,135 1,138 1,142 6,143 3,144 4,145 2,147 1,151 1,157 1,159 1,161 1,172 6,174 2,175 14,178 2,179 1,180 3,183 4,186 3,187 12,190 1,192 3,195 4,198 2,199 9,204 3,207 4,211 3,212 8,215 4,217 3,220 8,223 3,224 4,229 1,232 7,236 7,237 12,240 3,242 1,245 8,250 8,253 1,255 2,258 4,262 1,263 9,266 1,268 1,271 1,275 4582,276 31.013,277 31.013,278 31.013,279 31.013,280 31.013,281 28.029,282 44.542,283 17.999,284 31.89,285 25.753,286 25.753,287 25.753,288 25.753,289 25.753,290 21.002,291 62.862,292 8.655,293 27.188,294 4.669,295 2.253,296 1.055,297 0.702,298 0.625,299 0.625,300 4.562,306 1859,307 3.742,310 315.952,311 705.849,312 144.363,314 387.671,318 2.94,319 47.09,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 98.5,331 808,332 4.737,333 3.731,334 7,335 4.286,336 3.32,337 4.707,338 1.656,339 11.961,340 3.215,341 4.514,342 3.56,343 6.695,344 4.152,345 3.173,346 4.126,347 0.86,348 10.803,349 3.105,350 4.152,351 3.417,352 6.143,353 3.817,354 2.887,355 3.701,356 0.86,357 9.065,358 2.684,359 3.988,360 3.168,361 6.134,362 3.807,363 2.875,364 3.34,365 0.86,366 9.057,367 2.678,368 3.926,369 3.121,370 5.678,371 3.592,372 2.634,373 3.272,374 0.8,375 7.742,376 2.512,377 3.76,378 2.775,379 5.63,380 3.394,381 2.444,382 3.047,383 0.8,384 7.612,385 2.335,386 3.646,387 2.711,388 5.516,389 3.361,390 2.416,391 2.87,392 0.247,393 7.304,394 2.264,395 3.552,396 2.546,397 5.334,398 3.15,399 2.185,400 2.761,402 6.717,403 2.098,404 3.361,405 2.475,406 5.228,407 2.949,408 1.967,409 2.618,411 6.054,412 1.922,413 3.213,414 2.266,415 4.879,416 2.839,417 1.879,418 2.402,420 5.638,421 1.794,422 3.033,423 2.209,424 4.854,425 2.812,426 1.855,427 2.176,428 5.156,429 1.767,430 2.942,431 2.093,432 4.73,433 2.656,434 1.715,435 2.013,436 4.99,437 1.595,438 2.931,439 1.927,440 4.632,441 2.621,442 1.691,443 1.994,445 4.73,446 1.568,447 2.879,448 1.804,449 4.399,450 2.557,451 1.6,452 1.879,454 4.352,455 1.518,456 2.669,457 1.553,458 4.131,459 2.181,460 1.208,461 1.741,463 3.221,464 1.173,465 20.967,466 0.466,467 1.123,468 0.025,469 59.25,470 1.317,471 27,472 0.6,473 32.25,474 0.717,475 42.203,476 0.938,477 48.033,478 0.616,479 51.916,480 1.154,481 11.463,482 0.255,483 10.516,484 0.234,485 0.056,487 0.391,493 0.827,494 1.468,495 0.715,496 1.151,497 0.582,498 0.946,499 1.08,500 1.05,501 0.88,502 0.926,503 0.629,504 0.866,505 1.147,506 1.052,507 1.052,508 0.957,509 0.871,510 0.981,511 0.807,512 1.018,513 0.953,514 1.021,515 0.813,516 1.006,517 0.8,518 0.987,519 0.923,520 1.036,521 1.098,522 1.012,523 0.989,524 1.039,525 0.953,526 1.026,527 1.139,528 0.988,529 0.841,530 1.04,531 0.896,532 1.013,533 0.766,534 0.978,535 1.196,536 0.984,537 1.056,538 0.975,539 1.277,540 0.985,541 9,542 0.28,543 4.444,544 4.028,545 1.746,546 1.73,547 1.093,548 0.85,549 0.558,550 0.436,551 44875,552 110414,553 2.226,554 42.3,556 24,557 1,558 2,559 2,561 4,564 1.823,565 2.126,566 4.058,567 0.137,573 126.07,574 1.616,575 4.033,576 5.231,577 5.583,578 5.66,579 5.66,580 3.54,581 4.925,582 5.46,583 4.303,584 4260.05,585 9.653,586 83362,591 490.261,592 1.262,593 5.442,594 0.173,595 0.005,596 0.058,597 0.053,598 0.025,599 0.024,600 0.016,601 0.012,602 0.009,603 0.008,604 0.385,605 0.33,606 0.63,607 0.383,608 266.786,609 -0.055,610 -0.275,611 0.079,612 -0.111,613 -0.024,614 -0.01,615 -0.057,616 0.076,617 0.023,618 0.053,619 0.044,620 0.055,621 -0.093,622 -0.013,623 -0.093,624 0.023,625 -0.007,626 -0.027,627 -0.043,630 -0.026,631 0.028,632 -0.003,633 0.089,634 0.019,635 0.031,636 -0.029,637 0.025,638 -0.016,639 -0.023,640 -0.042,641 0.018,642 -0.03,643 -0.059,644 -0.001,645 0.231,646 -0.031,647 0.079,648 -0.027,649 0.283,650 -0.011,651 -0.146,652 -0.004,653 -0.061,654 0.009,655 -0.108,656 -0.003,657 2.106,658 6.525,659 0.844,660 67.366,661 1.011,662 1.127,663 1.565,664 2.449,665 0.669,666 3.97,667 4.344,668 4.673,669 5.011,670 5.257,671 5.389,672 5.609,673 5.784,674 5.927,675 6.089,676 10.33,677 0.648,678 607.73,679 3.97,680 5.549,681 6.431,682 7.338,683 8.234,684 9.144,685 10.047,686 10.96,687 11.868,688 12.783,689 9,695 2,696 2,697 1,699 2,703 2,704 9,705 2,709 7,710 1,711 22,716 1,726 2,729 1,731 78,733 25,734 1,735 52,737 85,738 33,739 18,740 3,741 3,742 3,746 8,747 11,751 1,755 4,758 4,761 22,762 11,766 3,771 2,773 1,775 3,781 33,782 11,783 2,784 12,790 7,794 0.625,795 5,801 1,805 2,807 1,811 3,812 5,813 1,815 2,831 2,839 2,840 5,844 1,848 45,854 8,855 2,856 3,858 2,859 2,870 6.4,873 2,874 2,875 1,877 21.167,878 14.333,879 9.5,880 4.786,881 5.121,882 1.502,883 1.038,884 7.457,885 15.318,886 4.205,887 4.814,888 5.421,889 6.043,890 6.591,891 6.941,892 7.419,893 7.849,894 8.18,895 8.617,896 0.917,897 76,898 16.753,900 7.467,901 7.681,902 32.238,904 27.789,905 2.181,906 98.167,910 364.904,911 165.703,912 77.74,914 83.29,917 165.703,918 448.194,919 77.74,920 8.396,921 58.698,922 75.381,923 141.495,924 59.7,925 18.375,926 329.591,928 364.904,929 243.443,930 83.29,933 317.82,934 108.374,935 22,937 80.407,938 114.745,939 48.291,941 364.904,942 161.03,943 165.703,946 364.904,947 63.83,948 110.02,949 36.022,950 116.861,951 364.904,952 161.03,953 165.703,955 0.592,956 0.352,957 0.2,958 0.109,959 41,960 17,961 0.059,962 5,963 4,964 1.184,965 5.529,966 497.089,967 0.211,968 37,969 237.133,974 28.521,975 11.766,976 5.568,977 1.817,978 159.131,979 16.202,980 9.102,984 4.65,985 1.971,986 36.022,987 691.637,988 66,993 26.29,995 1.79,997 -0.462,999 78.836,1000 87.933,1001 0.257,1002 0.642,1003 0.832,1004 0.888,1005 0.901,1006 0.901,1007 5.487,1008 2.185,1009 6.428,1010 7.304,1011 5.03,1012 5.503,1013 2.498,1014 7.276,1015 4.931,1016 6.69,1017 1.967,1018 8.003,1019 6.717,1020 4.635,1021 5.345,1022 1.404,1023 8.199,1024 4.503,1025 8.006,1026 1.879,1027 9.675,1028 6.054,1029 6.661,1030 7.693,1031 2.734,1032 11.343,1033 6.473,1034 9.355,1035 1.855,1036 11.404,1037 5.638,1038 7.091,1039 8.394,1040 2.382,1041 13.129,1042 6.877,1043 10.739,1044 1.715,1045 13.172,1046 5.156,1047 8.579,1048 10.234,1049 3.353,1050 15.789,1051 8.318,1052 12.148,1053 1.691,1054 14.967,1055 4.99,1056 9.398,1057 11.355,1058 3.421,1059 17.955,1060 9.113,1061 13.579,1062 1.6,1063 16.784,1064 4.73,1065 10.675,1066 12.996,1067 4.188,1068 20.461,1069 10.352,1070 3.32,1071 1.208,1072 18.618,1073 4.352,1074 11.679,1075 14.329,1076 4.467,1077 22.792,1078 11.333,1079 3.173,1080 11.961,1081 20.466,1082 3.221,1083 12.876,1084 15.892,1085 5.121,1086 25.253,1087 12.498,1088 2.887,1089 10.803,1090 22.326,1091 4.707,1092 13.966,1093 17.328,1094 5.504,1095 27.655,1096 13.565,1097 2.875,1098 9.065,1099 24.196,1100 4.126,1101 15.136,1102 18.865,1103 6.093,1104 30.108,1105 14.707,1106 2.634,1107 9.057,1108 26.075,1109 3.701,1110 16.267,1111 20.352,1112 6.531,1113 32.542,1114 15.815,1115 2.444,1116 7.742,1117 27.962,1118 3.34,1119 17.432,1120 21.883,1121 7.084,1122 34.998,1123 16.954,1124 2.416,1125 7.612,1126 29.855,1127 3.272,1128 18.584,1129 23.395,1130 7.551,1131 37.448,1132 18.082,1133 39702,1134 62530,1135 36.005,1136 52.211,1137 80.283,1138 82.501,1139 80.902,1140 79.48,1141 79.472,1142 99.626,1143 12.166,1144 236.904,1145 75.466,1146 5.737,1147 5.731,1148 6.802,1149 5.393,1150 5.32,1151 7.707,1152 2.912,1153 19.399,1154 5.215,1155 16.034,1156 1.544,1157 1.587,1158 1.556,1159 1.528,1160 1.528,1161 1.916,1162 0.234,1163 4.556,1164 1.451,1165 4.162,1166 4.198,1167 4.133,1168 4.049,1169 7.432,1170 4.066,1171 3.988,1172 4.014,1173 3.955,1174 3.887,1175 7.427,1176 3.9,1177 3.928,1178 3.966,1179 3.873,1180 3.783,1181 5.032,1182 3.798,1183 3.892,1184 3.935,1185 3.795,1186 3.73,1187 4.895,1188 3.738,1189 3.692,1190 3.743,1191 3.592,1192 3.481,1193 4.845,1194 3.497,1195 3.544,1196 3.575,1197 3.488,1198 3.406,1199 4.666,1200 3.418,1201 3.45,1202 3.512,1203 3.36,1204 3.256,1205 4.596,1206 3.275,1207 3.322,1208 3.364,1209 3.255,1210 3.071,1211 4.437,1212 3.116,1213 0.091,1214 0.072,1215 0.135,1216 0.082,1217 0.064,1218 4.737,1219 0.091,1220 3.731,1221 0.032,1222 7,1223 0.23,1224 4.286,1225 0.062,1226 3.32,1227 4.707,1228 1.656,1229 11.961,1230 3.215,1231 1.917,1232 1.89,1233 1.99,1234 2.053,1235 1.255,1236 2.036,1237 1.885,1238 1.862,1239 1.983,1240 2.045,1241 1.248,1242 2.028,1243 1.851,1244 1.811,1245 1.957,1246 1.976,1247 1.211,1248 1.97,1249 1.652,1250 1.614,1251 1.86,1252 1.867,1253 1.086,1254 1.851,1255 1.628,1256 1.574,1257 1.827,1258 1.849,1259 1.024,1260 1.843,1261 1.604,1262 1.554,1263 1.804,1264 1.792,1265 0.926,1266 1.798,1267 1.604,1268 1.543,1269 1.776,1270 1.76,1271 0.886,1272 1.786,1273 1.362,1274 1.321,1275 1.553,1276 1.572,1277 0.825,1278 1.558,1279 4.654,1281 6.014,1282 3.434,1283 7.559,1284 5.9,1285 9.187,1286 8.05,1287 10.862,1289 1.952,1295 6.752,1296 5.606,1297 17.488,1299 0.489,1300 4.518,1305 50.572,1306 126.07,1307 314.539,1308 407.997,1309 435.506,1310 441.506,1311 441.506,1312 75.294,1313 10.197,1314 126.99,1315 126.99,1316 45,1317 13.296,1318 4.7,1319 3.907,1320 57.905,1321 282,1322 313,1323 0.098,1324 297.656,1325 523.61,1326 718.04,1327 569656,1329 30.493,1330 0.678,1331 0.552,1332 30.493,1333 24.862,1334 21.979,1335 0.423,1336 0.294,1337 14.997,1338 20.905,1339 14.758,1340 12.035,1341 21.979,1342 15.278,1343 20.535,1344 0.27,1345 0.156,1346 20.535,1347 11.821,1348 18.007,1349 0.17,1350 0.083,1351 18.007,1352 8.802,1353 16.074,1354 0.108,1355 0.045,1356 16.074,1357 6.645,1358 13.26,1359 0.069,1360 0.024,1361 13.26,1362 4.579,1363 0.159,1364 139.199,1365 0.167,1366 40.127,1367 0.254,1368 256,1369 751.569,1370 286.348,1371 709.428,1372 986.38,1373 670,1374 310,1375 742.524,1376 342.294,1377 742.092,1378 1103.4,1379 701,1380 5.654}
{0 CHEMBL1091344,1 1.573,2 17.804,3 3.39,4 11.493,5 175.899,6 7.077,7 0.346,8 4.601,9 4.732,10 4.128,11 4.055,12 5.618,13 4.048,14 5.201,15 5.393,16 4.515,17 4.497,18 6.179,19 4.461,20 5.502,21 5.737,22 4.583,23 4.692,24 6.393,25 4.614,26 5.576,27 5.829,28 4.562,29 4.675,30 6.513,31 4.584,32 5.53,33 5.795,34 4.543,35 4.603,36 6.58,37 4.535,38 5.369,39 5.587,40 4.548,41 4.576,42 6.405,43 4.526,44 5.393,45 5.604,46 4.568,47 4.674,48 6.391,49 4.607,50 5.547,51 5.755,52 4.584,53 4.822,54 6.478,55 4.702,56 0.08,57 1.399,58 20.386,59 7.444,60 15.396,61 10.829,62 0.681,63 2.295,64 40.303,65 12.804,66 56.412,67 18.974,68 0.784,69 2.825,70 56.235,71 16.831,72 62.04,73 26.329,74 0.692,75 2.859,76 61.648,77 18.233,78 81.544,79 28.643,80 1.204,81 2.675,82 60.676,83 15.452,84 137.632,85 25.175,86 0.696,87 2.524,88 48.913,89 14.263,90 82.987,91 22.116,92 0.943,93 2.662,94 49.461,95 15.423,96 72.089,97 23.38,98 0.476,99 2.948,100 56.291,101 23.011,102 75.489,103 32.172,104 21,105 74,106 0.234,107 0.533,108 0.686,109 0.746,110 0.782,111 0.803,112 3.853,113 0.942,114 -3.92,115 -3.88,116 -3.68,119 37.1,121 4,124 1,125 8,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 8,174 7,175 8,178 2,179 1,180 4,183 6,186 2,187 8,190 2,192 6,195 4,198 3,199 19,204 7,211 2,212 12,215 5,217 4,224 17,227 2,228 1,229 1,232 8,236 3,237 1,240 5,242 2,245 16,249 2,250 2,253 6,255 4,258 18,263 6,268 8,271 2,275 5116,276 31.806,277 31.806,278 31.806,279 31.806,280 31.806,281 29.644,282 48.907,283 18.461,284 32.657,285 25.576,286 25.576,287 25.576,288 25.576,289 25.576,290 22.199,291 78.71,292 8.617,293 27.046,294 4.903,295 2.897,296 1.868,297 1.464,298 1.222,299 1.087,300 4.574,306 1838,307 3.808,310 258.063,311 832.47,312 162.394,318 2.838,319 48.109,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.64,330 100.5,331 819,332 4.456,333 3.562,334 6.85,335 4.179,336 3.254,337 4.064,338 1.656,339 11.42,340 3.013,341 4.165,342 3.486,343 6.764,344 4.056,345 3.122,346 3.704,347 0.86,348 11.082,349 2.917,350 4.159,351 3.385,352 6.169,353 3.843,354 2.892,355 3.621,356 0.8,357 9.174,358 2.775,359 4.135,360 3.136,361 6.148,362 3.822,363 2.856,364 3.25,365 0.8,366 9.075,367 2.739,368 3.884,369 2.882,370 5.57,371 3.591,372 2.636,373 3.151,374 0.8,375 7.636,376 2.505,377 3.724,378 2.662,379 5.423,380 3.399,381 2.445,382 2.989,383 0.8,384 7.049,385 2.328,386 3.524,387 2.54,388 5.3,389 3.229,390 2.291,391 2.719,392 0.247,393 6.746,394 2.146,395 3.375,396 2.44,397 5.086,398 3.137,399 2.197,400 2.513,402 6.08,403 2.06,404 3.251,405 2.314,406 5.086,407 2.919,408 1.956,409 2.349,411 5.839,412 1.878,413 3.138,414 2.162,415 5.052,416 2.863,417 1.897,418 2.28,420 5.735,421 1.837,422 2.956,423 2.136,424 5.039,425 2.851,426 1.879,427 1.956,428 5.72,429 1.822,430 2.879,431 2.016,432 4.666,433 2.818,434 1.872,435 1.879,436 5.061,437 1.745,438 2.764,439 1.809,440 4.314,441 2.364,442 1.416,443 1.868,445 3.981,446 1.338,447 2.61,448 1.631,449 4.255,450 2.273,451 1.341,452 1.621,454 3.802,455 1.249,456 2.5,457 1.403,458 3.875,459 2.166,460 1.275,461 1.5,463 2.87,464 1.12,465 21.433,466 0.466,467 1.033,468 0.022,469 54.75,470 1.19,471 22,472 0.478,473 32.75,474 0.712,475 49.855,476 1.084,477 51.767,478 0.582,479 48.364,480 1.051,481 10.303,482 0.224,483 12.18,484 0.265,485 0.07,487 0.355,493 0.935,494 1.638,495 0.838,496 1.247,497 0.795,498 1.055,499 0.978,500 1.103,501 0.966,502 0.996,503 0.701,504 0.981,505 0.937,506 1.111,507 1.011,508 1.014,509 0.726,510 1.012,511 0.935,512 1.202,513 0.941,514 1.089,515 0.881,516 1.024,517 1.14,518 0.831,519 0.941,520 0.717,521 1.259,522 0.768,523 1.109,524 1.188,525 0.994,526 1.009,527 1.111,528 0.976,529 0.935,530 0.885,531 1.124,532 0.942,533 0.779,534 1.025,535 0.543,536 1.163,537 1.063,538 1.437,539 0.646,540 1.362,541 9,542 0.246,543 5.111,544 3.097,545 1.861,546 1.68,547 1.366,548 0.845,549 0.499,550 0.557,551 44560,552 101120,553 2.168,554 48.3,556 31,559 4,561 8,564 1.83,565 2.06,566 3.956,567 1.385,573 140.017,574 1.573,575 3.579,576 4.608,577 5.012,578 5.254,579 5.389,580 3.406,581 4.784,582 5.491,583 4.274,584 4423.27,585 9.728,586 88205.1,591 576.34,592 1.302,593 5.469,594 0.173,595 0.006,596 0.069,597 0.04,598 0.025,599 0.023,600 0.018,601 0.011,602 0.007,603 0.01,604 0.383,605 0.17,606 0.63,607 0.623,608 273.933,609 -0.077,610 -0.325,611 0.066,612 -0.09,613 -0.06,614 -0.005,615 0.033,616 0.092,617 -0.004,618 0.037,619 0.033,620 0.004,621 -0.047,622 -0.024,623 -0.044,624 -0.013,625 -0.012,626 -0.024,627 -0.024,628 -0.195,629 0.039,630 -0.101,631 -0.002,632 -0.034,633 -0.021,634 0.177,635 0.081,636 0.198,637 -0.012,638 0.168,639 -0.074,640 -0.076,641 -0.014,642 -0.007,643 -0.023,644 0.001,645 -0.018,646 0.293,647 -0.168,648 0.078,649 -0.018,650 -0.04,651 0.118,652 -0.082,653 -0.158,654 -0.296,655 0.07,656 -0.28,657 1.994,658 5.824,659 0.804,660 67.497,661 1.003,662 1.139,663 2.692,664 7.245,665 0.638,666 3.97,667 4.317,668 4.635,669 4.942,670 5.176,671 5.308,672 5.489,673 5.68,674 5.844,675 6.004,676 10.308,677 0.607,678 629.85,679 3.97,680 5.533,681 6.405,682 7.299,683 8.185,684 9.084,685 9.975,686 10.878,687 11.774,688 12.679,689 10.1,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 89,733 19,734 2,735 52,737 95,738 33,739 15,740 4,741 8,746 7,747 8,751 1,752 2,755 8,758 8,761 16,762 17,766 1,771 1,775 1,781 43,782 13,783 4,784 13,790 9,794 0.857,795 4,796 2,808 2,811 2,812 5,813 1,836 1,838 2,839 1,840 6,844 1,848 46,853 2,854 12,855 2,856 1,858 4,859 4,870 4.5,871 2,873 1,874 1,877 22.333,878 15.633,879 10.056,880 5.482,881 3.407,882 1.364,883 0.96,884 9.471,885 12.774,886 4.143,887 4.668,888 5.183,889 5.734,890 6.262,891 6.548,892 6.992,893 7.391,894 7.709,895 8.076,896 1,897 77,898 17.166,900 7.513,901 7.656,902 33.377,904 28.683,905 2.156,906 99.167,910 459.073,911 133.81,912 98.875,914 121.512,917 133.81,918 580.584,919 98.875,920 8.396,921 63.767,922 161.177,923 86.501,924 26.281,925 8.074,926 459.073,928 459.073,929 232.685,930 121.512,933 367.232,934 119.314,935 96.367,937 70.69,938 109.311,939 50.357,941 459.073,942 220.387,943 133.81,946 459.073,947 49.603,948 96.704,949 36.022,950 171.868,951 459.073,952 220.387,953 133.81,955 0.583,956 0.35,957 0.196,958 0.107,959 37,960 16,961 0.084,962 8,963 2,964 1.081,965 5.498,966 500.416,967 0.108,968 36,969 228.084,974 31.395,975 13.876,976 6.784,978 220.387,979 15.367,980 14.695,984 4.843,986 121.388,987 813.27,988 62,993 12.824,997 -0.327,999 89.247,1000 101.381,1001 0.243,1002 0.553,1003 0.712,1004 0.774,1005 0.811,1006 0.832,1007 5.423,1008 2.197,1009 6.392,1010 6.746,1011 5.004,1012 5.357,1013 2.409,1014 7.223,1015 4.894,1016 6.584,1017 1.956,1018 7.959,1019 6.08,1020 4.575,1021 5.047,1022 1.577,1023 8.152,1024 4.403,1025 7.873,1026 1.897,1027 9.623,1028 5.839,1029 6.619,1030 7.388,1031 2.648,1032 11.266,1033 6.393,1034 9.189,1035 1.879,1036 11.345,1037 5.735,1038 7.022,1039 7.872,1040 2.438,1041 13.057,1042 6.724,1043 10.538,1044 1.872,1045 13.107,1046 5.72,1047 8.513,1048 9.714,1049 3.315,1050 15.688,1051 8.163,1052 11.907,1053 1.416,1054 14.897,1055 5.061,1056 9.305,1057 10.575,1058 3.434,1059 17.844,1060 8.877,1061 13.293,1062 1.341,1063 16.709,1064 3.981,1065 10.576,1066 12.202,1067 4.175,1068 20.32,1069 10.093,1070 3.254,1071 1.275,1072 18.537,1073 3.802,1074 11.554,1075 13.268,1076 4.471,1077 22.629,1078 10.992,1079 3.122,1080 11.42,1081 20.38,1082 2.87,1083 12.739,1084 14.782,1085 5.117,1086 25.057,1087 12.116,1088 2.892,1089 11.082,1090 22.234,1091 4.064,1092 13.806,1093 15.97,1094 5.505,1095 27.428,1096 13.103,1097 2.856,1098 9.174,1099 24.097,1100 3.704,1101 14.96,1102 17.423,1103 6.092,1104 29.844,1105 14.191,1106 2.636,1107 9.075,1108 25.969,1109 3.621,1110 16.068,1111 18.685,1112 6.531,1113 32.241,1114 15.22,1115 2.445,1116 7.636,1117 27.847,1118 3.25,1119 17.214,1120 20.104,1121 7.084,1122 34.657,1123 16.295,1124 2.291,1125 7.049,1126 29.73,1127 3.151,1128 18.343,1129 21.413,1130 7.551,1131 37.066,1132 17.347,1133 40526,1134 61299,1135 35.6,1136 56.813,1137 78.271,1138 79.971,1139 81.009,1140 77.949,1141 78.011,1142 92.241,1143 11.926,1144 228.566,1145 73.798,1146 5.456,1147 5.562,1148 6.415,1149 5.282,1150 5.254,1151 7.064,1152 2.912,1153 18.501,1154 5.013,1155 19.792,1156 1.505,1157 1.538,1158 1.558,1159 1.499,1160 1.5,1161 1.774,1162 0.229,1163 4.395,1164 1.419,1165 4.061,1166 4.113,1167 4.01,1168 3.922,1169 7.431,1170 3.934,1171 3.955,1172 4.004,1173 3.894,1174 3.844,1175 6.459,1176 3.849,1177 3.903,1178 3.95,1179 3.825,1180 3.782,1181 6.453,1182 3.788,1183 3.879,1184 3.925,1185 3.785,1186 3.732,1187 5.075,1188 3.736,1189 3.745,1190 3.811,1191 3.634,1192 3.559,1193 4.766,1194 3.566,1195 3.606,1196 3.665,1197 3.55,1198 3.39,1199 4.697,1200 3.429,1201 3.396,1202 3.446,1203 3.34,1204 3.127,1205 4.624,1206 3.169,1207 3.353,1208 3.405,1209 3.184,1210 3.117,1211 4.356,1212 3.128,1213 0.086,1214 0.069,1215 0.132,1216 0.08,1217 0.063,1218 4.456,1219 0.078,1220 3.562,1221 0.032,1222 6.85,1223 0.22,1224 4.179,1225 0.058,1226 3.254,1227 4.064,1228 1.656,1229 11.42,1230 3.013,1231 1.935,1232 1.903,1233 2.048,1234 2.074,1235 1.304,1236 2.068,1237 1.913,1238 1.879,1239 2.014,1240 2.056,1241 1.267,1242 2.039,1243 1.726,1244 1.672,1245 1.909,1246 1.946,1247 1.255,1248 1.929,1249 1.707,1250 1.638,1251 1.89,1252 1.896,1253 1.2,1254 1.9,1255 1.643,1256 1.586,1257 1.864,1258 1.847,1259 1.138,1260 1.844,1261 1.612,1262 1.558,1263 1.86,1264 1.818,1265 1.097,1266 1.834,1267 1.604,1268 1.543,1269 1.797,1270 1.76,1271 1.049,1272 1.798,1273 1.412,1274 1.36,1275 1.545,1276 1.67,1277 0.825,1278 1.638,1279 4.654,1281 5.994,1282 3.045,1283 7.527,1284 5.476,1285 9.145,1286 7.6,1287 10.809,1289 2.141,1294 20.23,1295 8.798,1296 5.831,1297 5.806,1299 0.066,1300 8.894,1305 54.007,1306 140.017,1307 318.496,1308 410.076,1309 446.076,1310 467.585,1311 479.585,1312 87.185,1313 9.367,1314 142.45,1315 142.45,1316 40,1317 13.199,1318 4.322,1319 3.459,1320 64.634,1321 283,1322 350,1323 0.107,1324 323.424,1325 568,1326 780.914,1327 197991,1329 31.622,1330 0.687,1331 0.571,1332 31.622,1333 26.255,1334 22.483,1335 0.432,1336 0.314,1337 16.041,1338 21.423,1339 15.777,1340 12.907,1341 22.483,1342 16.33,1343 20.243,1344 0.274,1345 0.172,1346 20.243,1347 12.74,1348 17.746,1349 0.174,1350 0.096,1351 17.746,1352 9.75,1353 15.455,1354 0.111,1355 0.051,1356 15.455,1357 7.131,1358 12.618,1359 0.072,1360 0.027,1361 12.618,1362 4.782,1363 0.174,1364 142.203,1365 0.168,1366 40.704,1367 0.279,1368 252,1369 683.952,1370 281.119,1371 649.752,1372 897.99,1373 614,1374 302,1375 663.88,1376 332.566,1377 666.906,1378 990.37,1379 629,1380 5.988}
{0 CHEMBL1091345,1 1.524,2 17.39,3 4.323,4 18.692,5 161.365,6 6.972,7 0.391,8 4.483,9 4.624,10 4.004,11 3.949,12 5.482,13 3.935,14 5.073,15 5.277,16 4.384,17 4.368,18 6.051,19 4.327,20 5.348,21 5.587,22 4.413,23 4.548,24 6.235,25 4.466,26 5.411,27 5.681,28 4.356,29 4.514,30 6.305,31 4.405,32 5.307,33 5.575,34 4.329,35 4.424,36 6.296,37 4.351,38 5.157,39 5.375,40 4.321,41 4.405,42 6.127,43 4.338,44 5.208,45 5.438,46 4.279,47 4.462,48 6.138,49 4.374,50 5.307,51 5.54,52 4.246,53 4.548,54 6.209,55 4.404,56 0.041,57 1.272,58 18.348,59 6.529,60 11.353,61 9.801,62 0.586,63 2.04,64 35.84,65 11.209,66 46.574,67 16.961,68 0.563,69 2.469,70 48.231,71 14.257,72 49.809,73 22.55,74 0.513,75 2.444,76 52.384,77 15.883,78 63.621,79 25.17,80 0.746,81 2.244,82 47.897,83 12.377,84 85.189,85 20.438,86 0.382,87 2.122,88 39.096,89 12.055,90 46.845,91 18.732,92 0.632,93 2.201,94 41.525,95 12.604,96 51.458,97 19.712,98 0.448,99 2.28,100 45.218,101 18.026,102 60.065,103 25.746,104 19,105 65,106 0.232,107 0.541,108 0.722,109 0.776,110 0.798,111 0.802,112 3.741,113 0.947,114 -4.79,115 -4.7,116 -4.41,119 37.5,120 2,121 2,124 1,125 6,127 3,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 5,175 6,178 4,179 1,180 6,183 7,186 2,187 8,192 4,195 4,198 1,199 18,202 2,204 6,211 2,212 10,215 1,217 6,224 13,227 2,229 5,232 8,236 2,237 1,240 2,245 16,249 2,250 2,253 5,254 1,258 18,263 6,271 2,275 3594,276 27.858,277 27.858,278 27.858,279 27.858,280 27.858,281 25.672,282 46.933,283 16.362,284 28.652,285 22.773,286 22.773,287 22.773,288 22.773,289 22.773,290 19.367,291 78.08,292 7.858,293 24.087,294 4.798,295 2.77,296 1.582,297 1.222,298 1.078,299 1.053,300 4.456,306 1589,307 3.873,310 108.292,311 753.356,312 147.474,318 2.801,319 32.759,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 88.5,331 713,332 4.412,333 3.562,334 6.813,335 4.139,336 3.212,337 4.042,338 1.656,339 11.282,340 2.982,341 4.165,342 3.456,343 6.191,344 3.862,345 2.903,346 3.703,347 0.86,348 9.273,349 2.793,350 4.143,351 3.136,352 6.148,353 3.835,354 2.888,355 3.597,356 0.8,357 9.075,358 2.741,359 3.931,360 2.953,361 5.581,362 3.61,363 2.659,364 3.181,365 0.8,366 7.667,367 2.518,368 3.783,369 2.682,370 5.5,371 3.465,372 2.518,373 3.04,374 0.8,375 7.36,376 2.375,377 3.622,378 2.656,379 5.309,380 3.326,381 2.377,382 2.904,383 0.4,384 6.866,385 2.252,386 3.4,387 2.472,388 5.12,389 3.185,390 2.25,391 2.549,392 0.247,393 6.104,394 2.101,395 3.308,396 2.412,397 5.086,398 3.061,399 2.119,400 2.437,402 6.076,403 1.992,404 3.245,405 2.309,406 5.039,407 2.862,408 1.879,409 2.348,411 5.839,412 1.834,413 2.945,414 2.016,415 4.668,416 2.851,417 1.877,418 2.003,420 5.07,421 1.822,422 2.879,423 1.986,424 4.442,425 2.695,426 1.76,427 1.879,428 4.504,429 1.638,430 2.746,431 1.746,432 4.279,433 2.362,434 1.412,435 1.835,436 3.952,437 1.337,438 2.61,439 1.631,440 4.205,441 2.249,442 1.325,443 1.621,445 3.72,446 1.226,447 2.5,448 1.371,449 3.851,450 2.166,451 1.271,452 1.5,454 2.865,455 1.12,456 2.5,457 1.146,458 3.531,459 2,460 1,461 1.5,463 2.275,464 1,465 19.267,466 0.47,467 1.023,468 0.025,469 51,470 1.244,471 22,472 0.537,473 29,474 0.707,475 40.722,476 0.993,477 45.533,478 0.569,479 41.931,480 1.023,481 9.579,482 0.234,483 10.328,484 0.252,485 0.095,487 0.348,493 0.906,494 1.649,495 0.842,496 1.259,497 0.68,498 1.067,499 0.968,500 1.059,501 0.922,502 0.965,503 0.55,504 0.942,505 1.148,506 1.119,507 1.076,508 1.027,509 0.919,510 1.031,511 0.881,512 1.131,513 0.889,514 1.03,515 0.793,516 0.971,517 1.288,518 0.852,519 0.972,520 0.725,521 1.534,522 0.776,523 1.127,524 1.258,525 1.044,526 1.114,527 1.266,528 1.07,529 1.071,530 0.92,531 1.195,532 0.982,533 0.869,534 1.068,535 0.482,536 1.068,537 1.046,538 1.347,539 0.679,540 1.3,541 9,542 0.177,543 4,544 2.5,545 1.561,546 1.555,547 1.115,548 0.668,549 0.448,550 0.434,551 33865,552 73299,553 2.147,554 48.8,556 26,559 3,561 10,564 1.801,565 2.033,566 3.965,567 0.764,573 121.888,574 1.524,575 3.552,576 4.74,577 5.1,578 5.244,579 5.269,580 3.439,581 4.723,582 5.328,583 4.245,584 3481.24,585 9.382,586 65324.1,591 505.754,592 1.325,593 5.3,594 0.196,595 0.005,596 0.062,597 0.038,598 0.026,599 0.026,600 0.019,601 0.012,602 0.008,603 0.011,604 0.403,605 0.17,606 0.63,607 0.72,608 238.105,609 -0.036,610 -0.344,611 0.079,612 -0.125,613 -0.03,614 -0.023,615 0.154,616 0.113,617 0.06,618 0.048,619 0.196,620 0.034,621 -0.124,622 -0.036,623 -0.093,624 -0.037,625 -0.063,626 -0.054,627 0.034,628 -0.158,629 0.095,630 -0.046,631 0.105,632 0.02,633 -0.11,634 0.174,635 0.049,636 0.194,637 -0.086,638 0.159,639 -0.104,640 -0.138,641 -0.07,642 -0.095,643 -0.094,644 -0.081,645 -0.114,646 0.218,647 -0.224,648 0.015,649 -0.109,650 -0.091,651 0.198,652 -0.046,653 -0.121,654 -0.238,655 0.114,656 -0.232,657 1.959,658 5.699,659 0.78,660 58.187,661 0.998,662 1.139,663 3.556,664 12.647,665 0.642,666 3.85,667 4.19,668 4.454,669 4.754,670 4.997,671 5.118,672 5.263,673 5.407,674 5.509,675 5.645,676 10.043,677 0.607,678 557.78,679 3.85,680 5.407,681 6.26,682 7.144,683 8.012,684 8.902,685 9.777,686 10.669,687 11.55,688 12.445,689 11.3,692 1,694 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,724 1,726 2,731 80,733 19,734 2,735 46,737 85,738 30,739 15,740 4,741 8,746 6,747 7,751 1,752 2,755 4,758 5,761 16,762 14,766 1,771 1,775 1,781 39,782 11,783 3,784 11,790 9,794 0.833,795 2,808 1,811 1,812 5,813 1,836 1,839 1,840 5,844 3,848 41,854 8,855 3,856 1,858 3,859 3,870 2.5,873 1,874 1,877 20.167,878 14.95,879 8.806,880 4.994,881 3.438,882 1.381,883 0.985,884 8.467,885 12.47,886 4.043,887 4.58,888 5.077,889 5.637,890 6.172,891 6.431,892 6.844,893 7.215,894 7.489,895 7.852,896 1,897 65,898 15.221,900 6.503,901 7.557,902 29.768,904 25.011,905 2.057,906 84.333,910 423.76,911 146.391,912 113.762,914 36.145,917 146.391,918 459.904,919 113.762,920 26.047,921 58.698,922 75.81,923 104.512,924 23.157,925 8.074,926 423.76,928 423.76,929 260.153,930 36.145,933 308.377,934 142.856,935 11,937 83.271,938 106.187,939 68.367,941 423.76,942 149.907,943 146.391,946 423.76,947 44.534,948 111.23,949 54.032,950 86.501,951 423.76,952 149.907,953 146.391,955 0.585,956 0.329,957 0.183,958 0.102,959 32,960 14,961 0.082,962 7,963 2,964 1.094,965 5.204,966 412.314,967 0.125,968 31,969 199.66,974 28.012,975 12.393,976 6.689,978 149.907,979 15.577,980 14.335,984 5.305,986 54.032,987 720.057,988 56,993 12.699,997 -0.293,999 79.825,1000 91.132,1001 0.241,1002 0.562,1003 0.75,1004 0.807,1005 0.829,1006 0.833,1007 5.311,1008 2.119,1009 6.244,1010 6.104,1011 4.875,1012 5.268,1013 2.349,1014 7.043,1015 4.766,1016 6.48,1017 1.879,1018 7.79,1019 6.076,1020 4.443,1021 4.966,1022 1.494,1023 7.89,1024 4.276,1025 7.763,1026 1.877,1027 9.43,1028 5.839,1029 6.46,1030 7.314,1031 2.619,1032 10.984,1033 6.236,1034 9.073,1035 1.76,1036 11.126,1037 5.07,1038 6.815,1039 7.779,1040 2.41,1041 12.685,1042 6.526,1043 10.413,1044 1.412,1045 12.86,1046 4.504,1047 8.306,1048 9.646,1049 3.305,1050 15.298,1051 7.964,1052 11.773,1053 1.325,1054 14.622,1055 3.952,1056 9.044,1057 10.487,1058 3.427,1059 17.388,1060 8.632,1061 13.15,1062 1.271,1063 16.405,1064 3.72,1065 10.314,1066 12.134,1067 4.173,1068 19.841,1069 9.847,1070 3.212,1071 1,1072 18.206,1073 2.865,1074 11.247,1075 13.185,1076 4.469,1077 22.107,1078 10.707,1079 2.903,1080 11.282,1081 20.022,1082 2.275,1083 12.423,1084 14.713,1085 5.116,1086 24.514,1087 11.825,1088 2.888,1089 9.273,1090 21.85,1091 4.042,1092 13.455,1093 15.89,1094 5.505,1095 26.858,1096 12.783,1097 2.659,1098 9.075,1099 23.69,1100 3.703,1101 14.597,1102 17.35,1103 6.092,1104 29.258,1105 13.861,1106 2.518,1107 7.667,1108 25.539,1109 3.597,1110 15.679,1111 18.604,1112 6.531,1113 31.638,1114 14.868,1115 2.377,1116 7.36,1117 27.396,1118 3.181,1119 16.81,1120 20.027,1121 7.084,1122 34.041,1123 15.932,1124 2.25,1125 6.866,1126 29.26,1127 3.04,1128 17.919,1129 21.329,1130 7.551,1131 36.439,1132 16.966,1133 30990,1134 45858,1135 31.323,1136 51.381,1137 69.498,1138 70.223,1139 70.612,1140 68.896,1141 68.858,1142 83.061,1143 11.126,1144 198.263,1145 65.227,1146 5.412,1147 5.562,1148 6.328,1149 5.243,1150 5.212,1151 7.042,1152 2.912,1153 18.23,1154 4.982,1155 18.449,1156 1.511,1157 1.527,1158 1.535,1159 1.498,1160 1.497,1161 1.806,1162 0.242,1163 4.31,1164 1.418,1165 4.043,1166 4.093,1167 3.992,1168 3.913,1169 7.431,1170 3.923,1171 3.954,1172 4.003,1173 3.892,1174 3.843,1175 5.087,1176 3.848,1177 3.901,1178 3.941,1179 3.824,1180 3.776,1181 4.767,1182 3.782,1183 3.752,1184 3.82,1185 3.662,1186 3.561,1187 4.699,1188 3.57,1189 3.72,1190 3.787,1191 3.622,1192 3.528,1193 4.627,1194 3.544,1195 3.548,1196 3.618,1197 3.425,1198 3.351,1199 4.356,1200 3.366,1201 3.393,1202 3.445,1203 3.326,1204 3.117,1205 4.312,1206 3.168,1207 3.174,1208 3.272,1209 3.011,1210 2.951,1211 4.071,1212 2.93,1213 0.096,1214 0.077,1215 0.148,1216 0.09,1217 0.07,1218 4.412,1219 0.088,1220 3.562,1221 0.036,1222 6.813,1223 0.245,1224 4.139,1225 0.065,1226 3.212,1227 4.042,1228 1.656,1229 11.282,1230 2.982,1231 1.935,1232 1.903,1233 2.048,1234 2.074,1235 1.304,1236 2.068,1237 1.913,1238 1.879,1239 2.015,1240 2.056,1241 1.255,1242 2.041,1243 1.728,1244 1.67,1245 1.923,1246 1.947,1247 1.199,1248 1.934,1249 1.707,1250 1.638,1251 1.908,1252 1.896,1253 1.109,1254 1.902,1255 1.64,1256 1.574,1257 1.86,1258 1.864,1259 1.091,1260 1.873,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.049,1266 1.798,1267 1.452,1268 1.393,1269 1.559,1270 1.696,1271 0.825,1272 1.672,1273 1.257,1274 1.202,1275 1.538,1276 1.558,1277 0.643,1278 1.531,1279 4.533,1281 5.866,1282 2.398,1283 7.385,1284 4.844,1285 8.987,1286 6.986,1287 10.636,1289 6.278,1295 7.704,1296 9.181,1297 5.762,1299 0.778,1300 7.007,1305 48.524,1306 121.888,1307 284.129,1308 379.225,1309 407.98,1310 419.49,1311 421.49,1312 64.652,1313 9.032,1314 110.78,1315 110.78,1316 35,1317 12.973,1318 4.322,1319 3.459,1320 59.874,1321 252,1322 275,1323 0.113,1324 294.047,1325 510.88,1326 709.236,1327 140720,1329 28.346,1330 0.691,1331 0.586,1332 28.346,1333 24.007,1334 19.907,1335 0.433,1336 0.316,1337 14.279,1338 19.024,1339 13.915,1340 11.519,1341 19.907,1342 14.518,1343 18.487,1344 0.284,1345 0.175,1346 18.487,1347 11.405,1348 15.022,1349 0.177,1350 0.093,1351 15.022,1352 7.907,1353 13.158,1354 0.114,1355 0.05,1356 13.158,1357 5.703,1358 10.728,1359 0.073,1360 0.027,1361 10.728,1362 3.914,1363 0.186,1364 125.241,1365 0.179,1366 37.464,1367 0.291,1368 222,1369 584.34,1370 247.214,1371 563.51,1372 786.65,1373 532,1374 261,1375 595.301,1376 286.632,1377 600.504,1378 884.36,1379 565,1380 5.601}
{0 CHEMBL1091346,1 1.51,2 17.452,3 4.677,4 21.873,5 165.6,6 6.889,7 0.383,8 4.515,9 4.656,10 4.028,11 3.978,12 5.507,13 3.961,14 5.11,15 5.32,16 4.41,17 4.398,18 6.066,19 4.357,20 5.376,21 5.609,22 4.467,23 4.595,24 6.265,25 4.515,26 5.477,27 5.744,28 4.398,29 4.586,30 6.374,31 4.471,32 5.41,33 5.692,34 4.377,35 4.497,36 6.352,37 4.41,38 5.211,39 5.43,40 4.38,41 4.465,42 6.169,43 4.4,44 5.271,45 5.49,46 4.369,47 4.564,48 6.193,49 4.474,50 5.438,51 5.673,52 4.309,53 4.666,54 6.316,55 4.506,56 0.042,57 1.311,58 19.252,59 6.818,60 11.8,61 10.317,62 0.629,63 2.105,64 37.7,65 11.491,66 46.083,67 17.618,68 0.547,69 2.572,70 49.544,71 14.88,72 47.972,73 23.53,74 0.563,75 2.627,76 55.865,77 16.819,78 68.886,79 26.787,80 0.781,81 2.417,82 53.414,83 14.133,84 89.229,85 23.41,86 0.441,87 2.252,88 41.625,89 12.478,90 48.516,91 19.637,92 0.624,93 2.394,94 44.001,95 14.04,96 49.665,97 21.662,98 0.451,99 2.571,100 51.644,101 20.818,102 63.705,103 29.813,104 28,105 67,106 0.228,107 0.522,108 0.71,109 0.773,110 0.798,111 0.802,112 3.765,113 0.952,114 -4.98,115 -4.88,116 -4.57,119 37.3,120 2,121 2,124 2,125 6,127 3,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 8,178 2,179 1,180 4,183 7,186 2,187 8,192 4,195 4,198 3,199 19,204 5,211 2,212 12,215 1,217 4,224 17,227 2,229 1,232 8,236 3,237 1,240 1,245 16,249 2,250 2,253 6,258 18,263 6,271 2,275 3870,276 28.411,277 28.411,278 28.411,279 28.411,280 28.411,281 26.249,282 47.125,283 16.497,284 29.242,285 23.198,286 23.198,287 23.198,288 23.198,289 23.198,290 19.809,291 76.401,292 7.863,293 24.569,294 4.865,295 2.923,296 1.678,297 1.259,298 1.097,299 1.073,300 4.477,306 1628,307 4.123,310 111.006,311 774.235,312 151.09,318 2.79,319 32.241,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 90.5,331 733,332 4.434,333 3.562,334 6.817,335 4.148,336 3.222,337 4.058,338 1.656,339 11.296,340 2.987,341 4.165,342 3.462,343 6.346,344 3.9,345 2.96,346 3.704,347 0.86,348 9.599,349 2.805,350 4.143,351 3.169,352 6.148,353 3.838,354 2.891,355 3.611,356 0.8,357 9.075,358 2.742,359 4.005,360 3.136,361 6.097,362 3.726,363 2.774,364 3.196,365 0.8,366 8.751,367 2.618,368 3.846,369 2.84,370 5.565,371 3.572,372 2.618,373 3.099,374 0.8,375 7.621,376 2.487,377 3.686,378 2.662,379 5.348,380 3.377,381 2.423,382 2.963,383 0.8,384 6.941,385 2.308,386 3.453,387 2.511,388 5.27,389 3.202,390 2.268,391 2.612,392 0.247,393 6.474,394 2.117,395 3.357,396 2.433,397 5.086,398 3.096,399 2.156,400 2.488,402 6.08,403 2.02,404 3.248,405 2.311,406 5.039,407 2.862,408 1.879,409 2.348,411 5.839,412 1.834,413 2.985,414 2.016,415 4.804,416 2.851,417 1.878,418 2.077,420 5.097,421 1.822,422 2.879,423 1.998,424 4.66,425 2.695,426 1.761,427 1.879,428 4.889,429 1.64,430 2.746,431 1.748,432 4.297,433 2.363,434 1.413,435 1.837,436 3.96,437 1.337,438 2.61,439 1.631,440 4.244,441 2.26,442 1.331,443 1.621,445 3.746,446 1.238,447 2.5,448 1.382,449 3.857,450 2.166,451 1.273,452 1.5,454 2.867,455 1.12,456 2.5,457 1.146,458 3.531,459 2,460 1,461 1.5,463 2.275,464 1,465 19.767,466 0.471,467 1.095,468 0.026,469 51.75,470 1.232,471 22,472 0.524,473 29.75,474 0.708,475 43.365,476 1.032,477 46.833,478 0.564,479 43.517,480 1.036,481 9.753,482 0.232,483 10.581,484 0.252,485 0.118,487 0.359,493 0.889,494 1.702,495 0.848,496 1.298,497 0.675,498 1.096,499 1.017,500 1.011,501 0.914,502 0.905,503 0.561,504 0.895,505 1.137,506 1.167,507 1.068,508 1.055,509 0.879,510 1.044,511 0.942,512 1.149,513 0.969,514 1.068,515 0.876,516 1.027,517 1.171,518 0.834,519 0.887,520 0.702,521 1.406,522 0.734,523 1.21,524 1.204,525 1.066,526 1.055,527 1.272,528 1.035,529 1.043,530 0.961,531 1.215,532 1.039,533 0.832,534 1.116,535 0.447,536 1.148,537 1.102,538 1.444,539 0.659,540 1.388,541 9,542 0.21,543 4.889,544 2.5,545 1.601,546 1.729,547 1.33,548 0.747,549 0.514,550 0.434,551 35404,552 75556,553 2.129,554 49.4,556 29,559 2,561 10,564 1.807,565 2,566 3.96,567 0.149,573 125.359,574 1.51,575 3.452,576 4.697,577 5.116,578 5.278,579 5.303,580 3.427,581 4.594,582 5.362,583 4.245,584 3654.85,585 9.454,586 69316.5,591 529.128,592 1.385,593 5.328,594 0.191,595 0.006,596 0.073,597 0.036,598 0.026,599 0.027,600 0.021,601 0.012,602 0.009,603 0.011,604 0.413,605 0.17,606 0.63,607 0.751,608 245.063,609 -0.015,610 -0.391,611 0.086,612 -0.153,613 -0.024,614 -0.039,615 0.143,616 0.163,617 0.083,618 0.1,619 0.184,620 0.079,621 -0.11,622 -0.065,623 -0.083,624 -0.051,625 -0.028,626 -0.059,627 -0.007,628 -0.152,629 0.015,630 -0.086,631 0.046,632 -0.041,633 -0.051,634 0.154,635 0.131,636 0.219,637 -0.033,638 0.209,639 -0.14,640 -0.063,641 -0.08,642 -0.045,643 -0.105,644 -0.052,645 -0.116,646 0.207,647 -0.248,648 -0.011,649 -0.107,650 -0.12,651 0.187,652 -0.126,653 -0.181,654 -0.328,655 0.093,656 -0.313,657 1.957,658 5.738,659 0.762,660 59.381,661 0.996,662 1.139,663 3.746,664 14.036,665 0.64,666 3.871,667 4.22,668 4.5,669 4.771,670 5.024,671 5.153,672 5.313,673 5.451,674 5.565,675 5.694,676 10.063,677 0.603,678 571.81,679 3.871,680 5.434,681 6.293,682 7.179,683 8.053,684 8.943,685 9.824,686 10.717,687 11.603,688 12.498,689 10.8,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 83,733 19,734 2,735 47,737 88,738 31,739 15,740 4,741 8,746 6,747 7,751 1,752 2,755 4,758 5,761 16,762 15,766 1,771 1,775 1,781 41,782 11,783 2,784 11,790 9,794 0.833,795 2,808 1,811 1,812 5,813 1,836 1,839 1,840 5,844 4,848 42,854 8,855 2,856 1,858 3,859 4,870 2.4,873 1,874 1,877 21,878 15.9,879 9.028,880 5.165,881 3.435,882 1.379,883 0.978,884 8.703,885 12.497,886 4.06,887 4.6,888 5.107,889 5.653,890 6.195,891 6.465,892 6.89,893 7.251,894 7.538,895 7.895,896 1,897 69,898 15.596,900 6.644,901 7.544,902 30.55,904 25.633,905 2.044,906 85.833,910 459.073,911 154.788,912 98.875,914 36.145,917 154.788,918 495.218,919 98.875,920 34.443,921 58.698,922 75.81,923 86.501,924 26.281,925 8.074,926 459.073,928 459.073,929 253.663,930 36.145,933 343.69,934 142.856,935 11,937 83.271,938 117.707,939 50.357,941 459.073,942 135.02,943 154.788,946 459.073,947 44.534,948 122.75,949 36.022,950 86.501,951 459.073,952 135.02,953 154.788,955 0.59,956 0.342,957 0.179,958 0.099,959 33,960 15,961 0.08,962 7,963 2,964 1.094,965 5.22,966 429.253,967 0.125,968 31,969 206.477,974 28.965,975 12.62,976 6.613,978 135.02,979 15.637,980 14.619,984 5.446,986 36.022,987 748.881,988 57,993 12.738,997 -0.291,999 82.708,1000 94.547,1001 0.237,1002 0.542,1003 0.737,1004 0.802,1005 0.828,1006 0.832,1007 5.335,1008 2.156,1009 6.286,1010 6.474,1011 4.905,1012 5.288,1013 2.409,1014 7.099,1015 4.793,1016 6.508,1017 1.879,1018 7.847,1019 6.08,1020 4.511,1021 5.007,1022 1.577,1023 7.987,1024 4.335,1025 7.797,1026 1.878,1027 9.504,1028 5.839,1029 6.509,1030 7.338,1031 2.648,1032 11.079,1033 6.278,1034 9.113,1035 1.761,1036 11.216,1037 5.097,1038 6.909,1039 7.825,1040 2.438,1041 12.801,1042 6.605,1043 10.459,1044 1.413,1045 12.966,1046 4.889,1047 8.381,1048 9.676,1049 3.315,1050 15.413,1051 8.025,1052 11.825,1053 1.331,1054 14.741,1055 3.96,1056 9.152,1057 10.533,1058 3.434,1059 17.503,1060 8.718,1061 13.207,1062 1.273,1063 16.535,1064 3.746,1065 10.411,1066 12.168,1067 4.175,1068 19.955,1069 9.923,1070 3.222,1071 1,1072 18.346,1073 2.867,1074 11.364,1075 13.23,1076 4.471,1077 22.212,1078 10.796,1079 2.96,1080 11.296,1081 20.169,1082 2.275,1083 12.536,1084 14.752,1085 5.117,1086 24.615,1087 11.908,1088 2.891,1089 9.599,1090 22.003,1091 4.058,1092 13.578,1093 15.936,1094 5.505,1095 26.95,1096 12.872,1097 2.774,1098 9.075,1099 23.846,1100 3.704,1101 14.718,1102 17.394,1103 6.092,1104 29.343,1105 13.947,1106 2.618,1107 8.751,1108 25.697,1109 3.611,1110 15.805,1111 18.654,1112 6.531,1113 31.716,1114 14.956,1115 2.423,1116 7.621,1117 27.555,1118 3.196,1119 16.935,1120 20.076,1121 7.084,1122 34.113,1123 16.017,1124 2.268,1125 6.941,1126 29.418,1127 3.099,1128 18.047,1129 21.383,1130 7.551,1131 36.505,1132 17.051,1133 32512,1134 47765,1135 31.728,1136 53.143,1137 71.471,1138 72.145,1139 73.057,1140 70.909,1141 70.892,1142 85.125,1143 11.926,1144 206.282,1145 67.06,1146 5.434,1147 5.562,1148 6.332,1149 5.251,1150 5.222,1151 7.058,1152 2.912,1153 18.286,1154 4.987,1155 20.722,1156 1.521,1157 1.535,1158 1.554,1159 1.509,1160 1.508,1161 1.811,1162 0.254,1163 4.389,1164 1.427,1165 4.047,1166 4.097,1167 3.996,1168 3.914,1169 7.431,1170 3.925,1171 3.954,1172 4.003,1173 3.892,1174 3.844,1175 5.078,1176 3.848,1177 3.901,1178 3.942,1179 3.824,1180 3.776,1181 4.766,1182 3.783,1183 3.765,1184 3.833,1185 3.681,1186 3.57,1187 4.697,1188 3.585,1189 3.736,1190 3.802,1191 3.627,1192 3.553,1193 4.625,1194 3.562,1195 3.554,1196 3.623,1197 3.449,1198 3.353,1199 4.356,1200 3.372,1201 3.394,1202 3.446,1203 3.328,1204 3.119,1205 4.308,1206 3.168,1207 3.177,1208 3.277,1209 3.012,1210 2.951,1211 4.071,1212 2.935,1213 0.094,1214 0.076,1215 0.145,1216 0.088,1217 0.069,1218 4.434,1219 0.086,1220 3.562,1221 0.035,1222 6.817,1223 0.24,1224 4.148,1225 0.064,1226 3.222,1227 4.058,1228 1.656,1229 11.296,1230 2.987,1231 1.935,1232 1.903,1233 2.048,1234 2.076,1235 1.304,1236 2.068,1237 1.914,1238 1.879,1239 2.016,1240 2.059,1241 1.255,1242 2.044,1243 1.742,1244 1.682,1245 1.94,1246 1.952,1247 1.2,1248 1.944,1249 1.708,1250 1.638,1251 1.908,1252 1.896,1253 1.139,1254 1.905,1255 1.656,1256 1.594,1257 1.86,1258 1.883,1259 1.098,1260 1.884,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.049,1266 1.798,1267 1.452,1268 1.393,1269 1.619,1270 1.696,1271 0.825,1272 1.675,1273 1.262,1274 1.205,1275 1.542,1276 1.561,1277 0.661,1278 1.538,1279 4.554,1281 5.894,1282 2.398,1283 7.422,1284 4.844,1285 9.033,1286 6.986,1287 10.687,1289 8.397,1295 7.714,1296 5.861,1297 5.789,1299 0.83,1300 9.094,1305 50.051,1306 125.359,1307 286.529,1308 389.844,1309 424.599,1310 438.109,1311 440.109,1312 67.907,1313 9.062,1314 101.99,1315 101.99,1316 35,1317 13.025,1318 4.322,1319 3.459,1320 62.049,1321 257,1322 290,1323 0.115,1324 303.64,1325 528.18,1326 732.641,1327 144461,1329 29.217,1330 0.696,1331 0.594,1332 29.217,1333 24.955,1334 20.335,1335 0.433,1336 0.317,1337 14.656,1338 19.416,1339 14.228,1340 11.794,1341 20.335,1342 14.908,1343 18.854,1344 0.281,1345 0.176,1346 18.854,1347 11.787,1348 15.951,1349 0.179,1350 0.096,1351 15.951,1352 8.568,1353 13.194,1354 0.113,1355 0.049,1356 13.194,1357 5.759,1358 10.892,1359 0.072,1360 0.026,1361 10.892,1362 3.978,1363 0.188,1364 128.02,1365 0.178,1366 38.096,1367 0.296,1368 228,1369 595.653,1370 253.575,1371 574.118,1372 802.27,1373 542,1374 270,1375 608.146,1376 296.798,1377 614.749,1378 905.54,1379 577,1380 5.322}
{0 CHEMBL1091347,1 1.599,2 17.558,3 4.383,4 19.211,5 171.683,6 7.34,7 0.367,8 4.518,9 4.651,10 4.116,11 4.025,12 5.493,13 3.995,14 5.121,15 5.315,16 4.483,17 4.459,18 6.074,19 4.398,20 5.39,21 5.62,22 4.508,23 4.621,24 6.257,25 4.529,26 5.443,27 5.705,28 4.424,29 4.573,30 6.333,31 4.463,32 5.361,33 5.628,34 4.447,35 4.493,36 6.323,37 4.413,38 5.202,39 5.417,40 4.44,41 4.485,42 6.149,43 4.416,44 5.257,45 5.468,46 4.469,47 4.584,48 6.168,49 4.492,50 5.424,51 5.652,52 4.435,53 4.699,54 6.279,55 4.535,56 0.027,57 1.336,58 18.689,59 7.228,60 9.118,61 10.03,62 0.619,63 2.213,64 40.574,65 12.934,66 43.534,67 17.758,68 0.557,69 2.669,70 53.18,71 16.291,72 44.533,73 23.871,74 0.544,75 2.635,76 54.101,77 17.003,78 62.032,79 25.691,80 0.745,81 2.444,82 52.042,83 14.102,84 82.73,85 22.085,86 0.432,87 2.292,88 40.829,89 12.979,90 45.649,91 19.052,92 0.606,93 2.444,94 43.702,95 14.164,96 44.983,97 20.942,98 0.431,99 2.641,100 52.096,101 21.544,102 55.397,103 29.475,104 5,105 69,106 0.242,107 0.532,108 0.704,109 0.773,110 0.797,111 0.801,112 3.787,113 1.005,114 -4.98,115 -4.88,116 -4.57,119 37.8,121 2,124 1,125 10,127 2,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 6,178 2,179 1,180 4,183 6,186 2,187 9,192 4,195 4,198 3,199 15,204 5,211 2,212 14,215 1,217 4,224 13,227 2,229 1,232 6,236 3,237 3,240 1,245 13,249 2,250 2,253 6,258 12,263 4,271 6,275 4198,276 29.772,277 29.772,278 29.772,279 29.772,280 29.772,281 27.611,282 46.22,283 17.572,284 30.843,285 24.261,286 24.261,287 24.261,288 24.261,289 24.261,290 20.875,291 72.563,292 8.432,293 25.985,294 4.759,295 2.837,296 1.699,297 1.247,298 1.082,299 1.058,300 4.513,306 1714,307 3.391,310 111.75,311 931.42,312 152.521,318 2.819,319 33.185,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 92.5,331 755,332 4.431,333 4.216,334 6.817,335 4.146,336 3.22,337 4.057,338 2.95,339 11.296,340 2.986,341 4.165,342 3.562,343 6.278,344 3.887,345 2.942,346 3.703,347 1.656,348 9.552,349 2.801,350 4.143,351 3.46,352 6.148,353 3.837,354 2.89,355 3.61,356 0.86,357 9.075,358 2.741,359 3.986,360 3.136,361 6.022,362 3.683,363 2.74,364 3.193,365 0.8,366 8.657,367 2.563,368 3.835,369 3.085,370 5.563,371 3.558,372 2.607,373 3.088,374 0.8,375 7.618,376 2.464,377 3.674,378 2.803,379 5.333,380 3.366,381 2.415,382 2.956,383 0.8,384 6.932,385 2.294,386 3.435,387 2.661,388 5.245,389 3.194,390 2.262,391 2.593,392 0.8,393 6.416,394 2.106,395 3.346,396 2.494,397 5.086,398 3.069,399 2.138,400 2.478,401 0.247,402 6.08,403 1.984,404 3.247,405 2.427,406 5.039,407 2.862,408 1.879,409 2.348,411 5.839,412 1.833,413 2.927,414 2.425,415 4.673,416 2.851,417 1.877,418 2.004,420 5.076,421 1.822,422 2.879,423 2.309,424 4.494,425 2.621,426 1.752,427 1.879,428 4.505,429 1.519,430 2.745,431 2.016,432 4.278,433 2.363,434 1.419,435 1.823,436 3.945,437 1.336,438 2.61,439 1.908,440 4.197,441 2.272,442 1.356,443 1.621,445 3.701,446 1.233,447 2.5,448 1.631,449 3.853,450 2.166,451 1.279,452 1.5,454 2.871,455 1.12,456 2.5,457 1.56,458 3.532,459 2,460 1.053,461 1.5,463 2.608,464 1,465 20.6,466 0.479,467 0.93,468 0.022,469 52.75,470 1.227,471 22,472 0.512,473 30.75,474 0.715,475 44.736,476 1.04,477 47.2,478 0.576,479 42.266,480 0.983,481 9.421,482 0.219,483 11.665,484 0.271,485 0.04,487 0.32,493 0.882,494 1.589,495 0.779,496 1.144,497 0.617,498 1.026,499 1.034,500 1.04,501 1.098,502 1.027,503 0.572,504 0.958,505 1.101,506 1.163,507 1.071,508 1.074,509 0.863,510 1.046,511 0.963,512 1.096,513 0.818,514 0.932,515 0.898,516 0.988,517 1.165,518 0.886,519 0.776,520 0.698,521 1.454,522 0.747,523 1.208,524 1.126,525 0.915,526 0.917,527 1.299,528 0.976,529 0.981,530 0.965,531 1.031,532 0.969,533 0.8,534 1.074,535 0.448,536 1.06,537 0.962,538 1.259,539 0.626,540 1.308,541 8,542 0.202,543 4.444,544 2.188,545 1.472,546 1.687,547 1.128,548 0.46,549 0.382,550 0.403,551 39200,552 87020,553 2.21,554 47.6,556 33,559 2,561 4,564 1.813,565 2.132,566 3.981,567 0.16,573 131.079,574 1.599,575 3.52,576 4.659,577 5.11,578 5.275,579 5.3,580 3.443,581 4.758,582 5.395,583 4.261,584 3847.52,585 9.525,586 74054.1,591 521.319,592 1.155,593 5.384,594 0.163,595 0.005,596 0.064,597 0.031,598 0.023,599 0.026,600 0.017,601 0.007,602 0.006,603 0.009,604 0.353,605 0.17,606 0.63,607 0.332,608 252.391,609 -0.024,610 -0.334,611 0.093,612 -0.087,613 0.013,614 -0.018,615 0.1,616 0.132,617 -0.052,618 0.011,619 0.16,620 0.005,621 -0.1,622 -0.098,623 -0.111,624 -0.097,625 -0.024,626 -0.074,627 -0.013,628 -0.126,629 0.032,630 -0.048,631 0.043,632 -0.022,633 -0.037,634 0.105,635 0.133,636 0.172,637 -0.033,638 0.188,639 -0.147,640 -0.025,641 -0.044,642 0.005,643 -0.123,644 -0.023,645 -0.076,646 0.164,647 -0.149,648 -0.009,649 -0.089,650 -0.102,651 0.195,652 -0.073,653 -0.08,654 -0.212,655 0.115,656 -0.252,657 1.949,658 5.772,659 0.884,660 61.835,661 0.999,662 1.135,663 3.746,664 14.036,665 0.659,666 3.912,667 4.248,668 4.543,669 4.836,670 5.1,671 5.209,672 5.389,673 5.549,674 5.707,675 5.855,676 10.162,677 0.618,678 601.86,679 3.912,680 5.468,681 6.33,682 7.213,683 8.088,684 8.977,685 9.858,686 10.751,687 11.637,688 12.532,689 11,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 82,733 19,734 2,735 49,737 88,738 31,739 15,740 4,741 8,746 7,747 8,751 1,755 4,758 4,761 16,762 15,766 1,771 1,775 1,781 39,782 11,783 2,784 12,785 1,790 9,794 0.857,795 2,808 1,811 1,812 6,813 1,836 1,839 1,840 6,841 1,842 1,844 1,848 43,854 12,855 2,856 1,857 1,858 2,859 4,870 2.4,873 1,874 1,877 20.167,878 14.733,879 9.25,880 5.099,881 3.42,882 1.371,883 1.006,884 8.8,885 12.645,886 4.094,887 4.62,888 5.131,889 5.681,890 6.223,891 6.491,892 6.927,893 7.302,894 7.617,895 7.977,896 1,897 70,898 16,900 6.914,901 7.508,902 31.567,904 26.99,905 2.008,906 86.333,910 435.531,911 166.971,912 98.875,914 36.145,916 32.22,917 134.752,918 471.676,919 98.875,920 8.396,921 64.709,922 75.81,923 86.501,924 26.281,925 8.074,926 467.75,928 435.531,929 233.627,930 36.145,931 32.22,933 390.774,934 72.229,935 11,937 71.631,938 109.311,939 50.357,940 32.22,941 435.531,942 135.02,943 166.971,946 435.531,947 82.765,948 96.704,949 36.022,950 86.501,951 435.531,952 135.02,953 166.971,955 0.583,956 0.339,957 0.187,958 0.105,959 35,960 14,961 0.068,962 6,963 2,964 1.079,965 5.41,966 450.713,967 0.105,968 37,969 211.329,970 1,974 28.961,975 13.066,976 6.675,978 135.02,979 15.75,980 14.853,984 5.665,986 36.022,987 737.522,988 59,993 12.772,997 -0.282,999 81.901,1000 93.052,1001 0.251,1002 0.554,1003 0.733,1004 0.804,1005 0.83,1006 0.834,1007 5.364,1008 2.138,1009 6.304,1010 6.416,1011 4.934,1012 5.308,1013 3.351,1014 7.107,1015 4.808,1016 6.52,1017 1.879,1018 7.851,1019 6.08,1020 4.443,1021 4.966,1022 1.577,1023 7.962,1024 4.262,1025 7.801,1026 1.877,1027 9.495,1028 5.839,1029 6.521,1030 7.343,1031 5.11,1032 11.069,1033 6.273,1034 9.11,1035 1.752,1036 11.197,1037 5.076,1038 6.858,1039 7.805,1040 2.438,1041 12.786,1042 6.549,1043 10.452,1044 1.419,1045 12.939,1046 4.505,1047 8.377,1048 9.675,1049 7.205,1050 15.398,1051 8.007,1052 11.815,1053 1.356,1054 14.708,1055 3.945,1056 9.112,1057 10.522,1058 3.434,1059 17.49,1060 8.673,1061 13.195,1062 1.279,1063 16.499,1064 3.701,1065 10.394,1066 12.165,1067 9.353,1068 19.939,1069 9.895,1070 3.22,1071 1.053,1072 18.306,1073 2.871,1074 11.328,1075 13.224,1076 4.471,1077 22.2,1078 10.756,1079 2.942,1080 11.296,1081 20.127,1082 2.608,1083 12.51,1084 14.748,1085 11.513,1086 24.601,1087 11.876,1088 2.89,1089 9.552,1090 21.959,1091 4.057,1092 13.543,1093 15.931,1094 5.505,1095 26.938,1096 12.834,1097 2.74,1098 9.075,1099 23.8,1100 3.703,1101 14.687,1102 17.39,1103 13.675,1104 29.331,1105 13.912,1106 2.607,1107 8.657,1108 25.649,1109 3.61,1110 15.769,1111 18.649,1112 6.531,1113 31.705,1114 14.919,1115 2.415,1116 7.618,1117 27.506,1118 3.193,1119 16.902,1120 20.072,1121 15.839,1122 34.103,1123 15.983,1124 2.262,1125 6.932,1126 29.368,1127 3.088,1128 18.011,1129 21.379,1130 7.551,1131 36.496,1132 17.016,1133 35214,1134 52729,1135 34.096,1136 54.029,1137 74.081,1138 77.581,1139 74.775,1140 73.619,1141 73.602,1142 87.836,1143 17.826,1144 211.514,1145 68.934,1146 5.431,1147 6.216,1148 6.619,1149 5.29,1150 5.22,1151 7.057,1152 5.9,1153 18.266,1154 4.986,1155 13.487,1156 1.512,1157 1.583,1158 1.526,1159 1.502,1160 1.502,1161 1.793,1162 0.364,1163 4.317,1164 1.407,1165 4.048,1166 4.099,1167 4.022,1168 3.917,1169 7.431,1170 3.926,1171 3.954,1172 4.003,1173 3.908,1174 3.844,1175 5.076,1176 3.848,1177 3.901,1178 3.942,1179 3.884,1180 3.778,1181 4.766,1182 3.783,1183 3.785,1184 3.844,1185 3.824,1186 3.665,1187 4.697,1188 3.628,1189 3.741,1190 3.805,1191 3.641,1192 3.558,1193 4.624,1194 3.565,1195 3.568,1196 3.625,1197 3.6,1198 3.392,1199 4.356,1200 3.403,1201 3.393,1202 3.443,1203 3.351,1204 3.12,1205 4.249,1206 3.169,1207 3.174,1208 3.272,1209 3.051,1210 2.951,1211 4.07,1212 2.93,1213 0.09,1214 0.086,1215 0.139,1216 0.085,1217 0.066,1218 4.431,1219 0.083,1220 4.216,1221 0.06,1222 6.817,1223 0.231,1224 4.146,1225 0.061,1226 3.22,1227 4.057,1228 2.95,1229 11.296,1230 2.986,1231 1.936,1232 1.904,1233 2.048,1234 2.076,1235 1.304,1236 2.068,1237 1.914,1238 1.879,1239 2.015,1240 2.059,1241 1.257,1242 2.045,1243 1.755,1244 1.702,1245 1.909,1246 1.952,1247 1.255,1248 1.945,1249 1.708,1250 1.638,1251 1.889,1252 1.896,1253 1.197,1254 1.905,1255 1.668,1256 1.617,1257 1.86,1258 1.876,1259 1.101,1260 1.882,1261 1.604,1262 1.543,1263 1.846,1264 1.76,1265 1.049,1266 1.798,1267 1.445,1268 1.395,1269 1.545,1270 1.678,1271 0.825,1272 1.654,1273 1.256,1274 1.201,1275 1.522,1276 1.552,1277 0.825,1278 1.527,1279 4.595,1281 5.927,1282 2.398,1283 7.453,1284 4.844,1285 9.063,1286 6.986,1287 10.717,1289 2.153,1295 11.786,1296 5.889,1297 5.817,1298 1.967,1299 0.624,1300 9.34,1305 50.711,1306 131.079,1307 288.663,1308 382.035,1309 419.055,1310 432.564,1311 434.564,1312 63.993,1313 9.225,1314 101.99,1315 127.29,1316 41,1317 13.059,1318 4.322,1319 3.459,1320 58.568,1321 264,1322 305,1323 0.105,1324 307.377,1325 534.33,1326 741.761,1327 171443,1329 29.175,1330 0.678,1331 0.591,1332 29.528,1333 25.431,1334 21.086,1335 0.43,1336 0.335,1337 15.11,1338 19.665,1339 14.717,1340 12.032,1341 21.586,1342 16.413,1343 19.149,1344 0.278,1345 0.187,1346 19.68,1347 12.907,1348 16.472,1349 0.177,1350 0.104,1351 16.926,1352 9.714,1353 14.211,1354 0.114,1355 0.057,1356 14.706,1357 7.178,1358 11.905,1359 0.073,1360 0.032,1361 12.461,1362 5.207,1363 0.171,1364 137.479,1365 0.171,1366 38.804,1367 0.27,1368 236,1369 618.513,1370 280.516,1371 613.788,1372 854.17,1373 582,1374 280,1375 627.517,1376 321.05,1377 639.955,1378 948.04,1379 603,1380 6.228}
{0 CHEMBL1091348,1 1.551,2 17.636,3 4.016,4 16.127,5 169.927,6 7.057,7 0.36,8 4.555,9 4.688,10 4.091,11 4.014,12 5.539,13 4.006,14 5.162,15 5.36,16 4.474,17 4.442,18 6.122,19 4.41,20 5.436,21 5.667,22 4.527,23 4.638,24 6.314,25 4.563,26 5.507,27 5.767,28 4.457,29 4.617,30 6.398,31 4.512,32 5.431,33 5.703,34 4.444,35 4.533,36 6.397,37 4.455,38 5.264,39 5.485,40 4.451,41 4.509,42 6.205,43 4.451,44 5.31,45 5.522,46 4.47,47 4.608,48 6.239,49 4.534,50 5.479,51 5.698,52 4.452,53 4.739,54 6.356,55 4.602,56 0.022,57 1.348,58 19.382,59 7.073,60 10.164,61 10.378,62 0.673,63 2.191,64 39.165,65 12.033,66 48.826,67 17.87,68 0.672,69 2.687,70 52.488,71 15.694,72 51.357,73 24.382,74 0.602,75 2.712,76 57.486,77 17.338,78 67.936,79 27.241,80 0.904,81 2.509,82 54.397,83 14.351,84 94.914,85 23.527,86 0.436,87 2.354,88 43.449,89 13.271,90 48.376,91 20.553,92 0.742,93 2.498,94 45.153,95 14.348,96 52.146,97 21.803,98 0.412,99 2.732,100 52.9,101 21.785,102 61.344,103 30.644,104 10,105 71,106 0.233,107 0.521,108 0.705,109 0.789,110 0.822,111 0.826,112 3.81,113 0.941,114 -4.45,115 -4.38,116 -4.12,119 37.6,120 1,121 2,124 1,125 9,127 3,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 7,178 2,179 1,180 4,183 6,186 3,187 9,192 4,195 4,198 3,199 17,204 5,211 4,212 12,215 1,217 4,224 15,227 2,229 1,232 7,236 5,237 2,240 1,245 14,249 2,250 4,253 6,258 14,263 9,271 2,275 4494,276 30.272,277 30.272,278 30.272,279 30.272,280 30.272,281 28.111,282 49.482,283 17.731,284 31.235,285 24.728,286 24.728,287 24.728,288 24.728,289 24.728,290 21.346,291 78.618,292 8.476,293 26.309,294 4.858,295 2.944,296 1.715,297 1.159,298 0.935,299 0.912,300 4.533,306 1755,307 3.464,310 113.915,311 951.564,312 155.529,318 2.822,319 37.365,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 95.5,331 776,332 4.439,333 3.562,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.165,342 3.466,343 6.472,344 3.932,345 3.002,346 3.704,347 0.86,348 10.061,349 2.814,350 4.144,351 3.26,352 6.148,353 3.839,354 2.891,355 3.614,356 0.86,357 9.075,358 2.743,359 4.042,360 3.136,361 6.139,362 3.776,363 2.815,364 3.205,365 0.8,366 9.032,367 2.682,368 3.861,369 2.867,370 5.566,371 3.582,372 2.628,373 3.117,374 0.8,375 7.627,376 2.497,377 3.701,378 2.662,379 5.37,380 3.386,381 2.433,382 2.972,383 0.8,384 6.971,385 2.316,386 3.483,387 2.538,388 5.286,389 3.213,390 2.279,391 2.647,392 0.8,393 6.602,394 2.127,395 3.367,396 2.442,397 5.086,398 3.119,399 2.18,400 2.499,401 0.247,402 6.08,403 2.041,404 3.249,405 2.319,406 5.039,407 2.862,408 1.886,409 2.348,411 5.839,412 1.835,413 3.089,414 2.269,415 4.957,416 2.851,417 1.879,418 2.198,420 5.45,421 1.822,422 2.879,423 2.016,424 4.665,425 2.795,426 1.868,427 1.879,428 5.056,429 1.719,430 2.764,431 1.914,432 4.314,433 2.366,434 1.42,435 1.866,436 3.987,437 1.34,438 2.61,439 1.747,440 4.256,441 2.335,442 1.414,443 1.621,445 3.818,446 1.299,447 2.5,448 1.631,449 3.906,450 2.279,451 1.355,452 1.5,454 3.091,455 1.245,456 2.5,457 1.463,458 3.82,459 2.166,460 1.278,461 1.5,463 2.874,464 1.12,465 20.6,466 0.468,467 1.02,468 0.023,469 53.75,470 1.222,471 22,472 0.5,473 31.75,474 0.722,475 45.569,476 1.036,477 49,478 0.576,479 45.492,480 1.034,481 10.186,482 0.231,483 11.311,484 0.257,485 0.065,487 0.345,493 0.886,494 1.685,495 0.815,496 1.295,497 0.656,498 1.075,499 1.132,500 1.041,501 0.961,502 0.933,503 0.656,504 0.924,505 1.101,506 1.124,507 1.06,508 1.02,509 0.876,510 1.023,511 0.921,512 1.162,513 0.961,514 1.064,515 0.865,516 1.024,517 1.042,518 0.851,519 0.909,520 0.728,521 1.377,522 0.769,523 1.046,524 1.203,525 0.983,526 1.036,527 1.185,528 0.995,529 0.95,530 0.92,531 1.163,532 0.987,533 0.8,534 1.068,535 0.482,536 1.155,537 1.07,538 1.445,539 0.631,540 1.376,541 8.5,542 0.202,543 4.889,544 2.625,545 1.583,546 1.715,547 1.25,548 0.629,549 0.446,550 0.454,551 40939,552 89589,553 2.19,554 48.2,556 32,559 2,561 7,564 1.819,565 2.095,566 3.965,567 0.149,573 131.854,574 1.551,575 3.466,576 4.695,577 5.25,578 5.474,579 5.498,580 3.422,581 4.823,582 5.428,583 4.263,584 4032.96,585 9.594,586 78544.3,591 544.798,592 1.242,593 5.411,594 0.17,595 0.005,596 0.069,597 0.036,598 0.024,599 0.026,600 0.018,601 0.009,602 0.007,603 0.01,604 0.373,605 0.17,606 0.63,607 0.388,608 259.513,609 -0.027,610 -0.385,611 0.092,612 -0.156,613 -0.006,614 -0.034,615 0.046,616 0.127,617 0.025,618 0.07,619 0.122,620 0.039,621 -0.099,622 -0.037,623 -0.082,624 -0.025,625 -0.035,626 -0.046,627 -0.023,628 -0.164,629 0.019,630 -0.08,631 0.041,632 -0.035,633 -0.011,634 0.163,635 0.101,636 0.195,637 -0.028,638 0.177,639 -0.099,640 -0.081,641 -0.017,642 -0.026,643 -0.086,644 -0.01,645 -0.052,646 0.257,647 -0.21,648 0.032,649 -0.077,650 -0.083,651 0.16,652 -0.113,653 -0.16,654 -0.317,655 0.101,656 -0.297,657 1.959,658 5.794,659 0.864,660 63.337,661 1,662 1.138,663 3.217,664 10.351,665 0.642,666 3.932,667 4.277,668 4.575,669 4.868,670 5.124,671 5.242,672 5.421,673 5.595,674 5.746,675 5.905,676 10.205,677 0.609,678 599.82,679 3.932,680 5.493,681 6.358,682 7.245,683 8.122,684 9.014,685 9.898,686 10.793,687 11.682,688 12.58,689 10.6,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 85,733 19,734 2,735 50,737 91,738 32,739 15,740 4,741 8,746 7,747 8,751 1,752 1,755 5,758 5,761 16,762 16,766 1,771 1,775 1,781 41,782 12,783 2,784 12,790 9,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 2,848 44,854 11,855 2,856 2,858 3,859 4,870 3.5,873 1,874 2,877 21,878 15.567,879 9.444,880 5.315,881 3.416,882 1.368,883 0.992,884 8.763,885 12.69,886 4.111,887 4.64,888 5.149,889 5.698,890 6.236,891 6.511,892 6.949,893 7.334,894 7.643,895 8.011,896 1,897 73,898 16.37,900 7.072,901 7.542,902 32.12,904 27.345,905 2.042,906 89.833,910 459.073,911 148.856,912 98.875,914 47.145,917 148.856,918 506.218,919 98.875,920 17.222,921 69.989,922 75.81,923 97.501,924 26.281,925 8.074,926 459.073,928 459.073,929 247.732,930 47.145,933 379.003,934 107.543,935 22,937 85.736,938 109.311,939 50.357,941 459.073,942 146.02,943 148.856,946 459.073,947 55.825,948 105.529,949 36.022,950 97.501,951 459.073,952 146.02,953 148.856,955 0.586,956 0.343,957 0.188,958 0.103,959 36,960 15,961 0.066,962 6,963 2,964 1.079,965 5.431,966 467.53,967 0.105,968 37,969 222.215,974 29.537,975 13.053,976 6.619,978 146.02,979 15.666,980 14.86,984 5.465,986 36.022,987 753.949,988 60,993 12.794,997 -0.293,999 85.036,1000 96.756,1001 0.242,1002 0.541,1003 0.732,1004 0.819,1005 0.854,1006 0.858,1007 5.387,1008 2.18,1009 6.34,1010 6.602,1011 4.963,1012 5.328,1013 2.534,1014 7.154,1015 4.844,1016 6.548,1017 1.886,1018 7.896,1019 6.08,1020 4.511,1021 5.007,1022 1.577,1023 8.034,1024 4.335,1025 7.832,1026 1.879,1027 9.549,1028 5.839,1029 6.561,1030 7.361,1031 2.723,1032 11.143,1033 6.322,1034 9.144,1035 1.868,1036 11.26,1037 5.45,1038 6.929,1039 7.833,1040 2.438,1041 12.878,1042 6.623,1043 10.488,1044 1.42,1045 13.009,1046 5.056,1047 8.431,1048 9.69,1049 3.344,1050 15.495,1051 8.066,1052 11.853,1053 1.414,1054 14.786,1055 3.987,1056 9.189,1057 10.543,1058 3.434,1059 17.598,1060 8.75,1061 13.234,1062 1.355,1063 16.584,1064 3.818,1065 10.464,1066 12.179,1067 4.184,1068 20.052,1069 9.965,1070 3.226,1071 1.278,1072 18.399,1073 3.091,1074 11.413,1075 13.24,1076 4.471,1077 22.316,1078 10.837,1079 3.002,1080 11.305,1081 20.226,1082 2.874,1083 12.593,1084 14.76,1085 5.119,1086 24.718,1087 11.954,1088 2.891,1089 10.061,1090 22.064,1091 4.06,1092 13.635,1093 15.945,1094 5.505,1095 27.055,1096 12.918,1097 2.815,1098 9.075,1099 23.911,1100 3.704,1101 14.78,1102 17.402,1103 6.093,1104 29.447,1105 13.995,1106 2.628,1107 9.032,1108 25.766,1109 3.614,1110 15.868,1111 18.662,1112 6.531,1113 31.817,1114 15.006,1115 2.433,1116 7.627,1117 27.627,1118 3.205,1119 17.002,1120 20.084,1121 7.084,1122 34.211,1123 16.068,1124 2.279,1125 6.971,1126 29.494,1127 3.117,1128 18.115,1129 21.391,1130 7.551,1131 36.6,1132 17.103,1133 36922,1134 54879,1135 34.501,1136 54.597,1137 75.778,1138 76.593,1139 77.103,1140 75.161,1141 75.143,1142 89.367,1143 13.646,1144 218.03,1145 70.764,1146 5.439,1147 5.562,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 16.606,1156 1.516,1157 1.532,1158 1.542,1159 1.503,1160 1.503,1161 1.787,1162 0.273,1163 4.361,1164 1.415,1165 4.052,1166 4.103,1167 4.002,1168 3.916,1169 7.431,1170 3.927,1171 3.954,1172 4.003,1173 3.893,1174 3.844,1175 5.079,1176 3.848,1177 3.901,1178 3.943,1179 3.824,1180 3.777,1181 4.766,1182 3.784,1183 3.82,1184 3.874,1185 3.728,1186 3.624,1187 4.7,1188 3.642,1189 3.743,1190 3.809,1191 3.632,1192 3.558,1193 4.633,1194 3.565,1195 3.591,1196 3.648,1197 3.526,1198 3.369,1199 4.601,1200 3.405,1201 3.395,1202 3.445,1203 3.339,1204 3.118,1205 4.355,1206 3.168,1207 3.264,1208 3.351,1209 3.037,1210 3.085,1211 4.078,1212 3.063,1213 0.089,1214 0.071,1215 0.136,1216 0.083,1217 0.065,1218 4.439,1219 0.081,1220 3.562,1221 0.033,1222 6.819,1223 0.226,1224 4.152,1225 0.06,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.936,1232 1.904,1233 2.048,1234 2.081,1235 1.304,1236 2.069,1237 1.914,1238 1.879,1239 2.018,1240 2.064,1241 1.255,1242 2.051,1243 1.774,1244 1.719,1245 1.956,1246 1.974,1247 1.245,1248 1.971,1249 1.708,1250 1.639,1251 1.908,1252 1.917,1253 1.196,1254 1.911,1255 1.678,1256 1.626,1257 1.86,1258 1.895,1259 1.101,1260 1.894,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.049,1266 1.798,1267 1.451,1268 1.398,1269 1.64,1270 1.706,1271 0.894,1272 1.669,1273 1.292,1274 1.212,1275 1.547,1276 1.558,1277 0.825,1278 1.564,1279 4.615,1281 5.953,1282 2.398,1283 7.485,1284 4.844,1285 9.102,1286 6.986,1287 10.762,1289 4.283,1295 9.701,1296 5.879,1297 11.492,1299 0.736,1300 9.249,1305 51.766,1306 131.854,1307 294.589,1308 399.05,1309 446.269,1310 465.288,1311 467.288,1312 68.592,1313 9.275,1314 111.22,1315 111.22,1316 41,1317 13.105,1318 4.322,1319 3.459,1320 60.562,1321 270,1322 320,1323 0.105,1324 309.835,1325 541.91,1326 747.757,1327 180454,1329 30.045,1330 0.683,1331 0.579,1332 30.045,1333 25.484,1334 21.496,1335 0.43,1336 0.314,1337 15.398,1338 20.451,1339 15.084,1340 12.37,1341 21.496,1342 15.686,1343 19.677,1344 0.277,1345 0.172,1346 19.677,1347 12.2,1348 16.939,1349 0.176,1350 0.095,1351 16.939,1352 9.102,1353 14.615,1354 0.113,1355 0.051,1356 14.615,1357 6.523,1358 12.096,1359 0.072,1360 0.027,1361 12.096,1362 4.476,1363 0.172,1364 135.906,1365 0.17,1366 39.438,1367 0.273,1368 242,1369 653.388,1370 270.786,1371 620.467,1372 864.75,1373 588,1374 288,1375 648.134,1376 318.398,1377 650.978,1378 964.66,1379 613,1380 6.177}
{0 CHEMBL1091349,1 1.548,2 17.558,3 3.676,4 13.511,5 163.655,6 7.195,7 0.367,8 4.508,9 4.636,10 4.061,11 3.995,12 5.51,13 3.986,14 5.105,15 5.292,16 4.436,17 4.419,18 6.091,19 4.386,20 5.368,21 5.593,22 4.475,23 4.598,24 6.261,25 4.521,26 5.42,27 5.678,28 4.398,29 4.558,30 6.322,31 4.456,32 5.343,33 5.607,34 4.399,35 4.481,36 6.333,37 4.408,38 5.178,39 5.386,40 4.392,41 4.48,42 6.144,43 4.418,44 5.232,45 5.434,46 4.406,47 4.561,48 6.181,49 4.479,50 5.386,51 5.608,52 4.36,53 4.629,54 6.286,55 4.496,56 0.023,57 1.276,58 17.828,59 6.962,60 9.295,61 9.764,62 0.585,63 2.093,64 35.985,65 11.835,66 46.304,67 16.869,68 0.547,69 2.562,70 48.133,71 15.502,72 48.271,73 23.085,74 0.477,75 2.573,76 52.13,77 16.365,78 61.442,79 25.176,80 0.83,81 2.369,82 49.4,83 13.94,84 88.584,85 21.784,86 0.38,87 2.2,88 38.786,89 13.279,90 44.495,91 19.305,92 0.542,93 2.324,94 40.461,95 14.534,96 46.285,97 21.001,98 0.389,99 2.487,100 48.038,101 19.577,102 59.949,103 27.449,104 5,105 69,106 0.234,107 0.553,108 0.739,109 0.797,110 0.819,111 0.823,112 3.787,113 0.931,114 -4.69,115 -4.6,116 -4.33,119 39.5,121 3,124 1,125 8,127 2,135 1,136 1,142 8,143 1,144 3,149 2,150 1,159 1,172 9,174 5,175 10,178 2,179 1,180 4,183 7,186 2,187 13,192 4,195 4,198 1,199 16,204 5,207 1,211 4,212 14,215 1,217 4,220 4,224 9,227 2,229 1,232 14,236 4,237 3,240 1,245 20,249 2,250 6,253 5,255 1,258 10,263 8,268 2,271 2,275 4198,276 29.772,277 29.772,278 29.772,279 29.772,280 29.772,281 27.365,282 43.285,283 17.572,284 30.633,285 24.261,286 24.261,287 24.261,288 24.261,289 24.261,290 20.493,291 62.652,292 8.432,293 25.651,294 4.792,295 2.681,296 1.454,297 1.065,298 0.923,299 0.898,300 4.513,306 1714,307 3.391,310 111.75,311 931.42,312 152.521,318 2.819,319 36.142,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 93,331 755,332 4.45,333 3.562,334 6.817,335 4.149,336 3.22,337 4.09,338 1.656,339 11.296,340 2.996,341 4.165,342 3.457,343 6.278,344 3.901,345 2.942,346 3.705,347 1.151,348 9.552,349 2.823,350 4.145,351 3.136,352 6.148,353 3.838,354 2.89,355 3.648,356 0.86,357 9.075,358 2.743,359 4.08,360 3.066,361 6.022,362 3.715,363 2.74,364 3.315,365 0.8,366 8.657,367 2.672,368 3.867,369 2.83,370 5.563,371 3.567,372 2.607,373 3.158,374 0.8,375 7.618,376 2.49,377 3.702,378 2.662,379 5.333,380 3.371,381 2.415,382 2.989,383 0.8,384 6.932,385 2.305,386 3.474,387 2.527,388 5.245,389 3.196,390 2.262,391 2.674,392 0.247,393 6.416,394 2.112,395 3.362,396 2.44,397 5.086,398 3.077,399 2.138,400 2.501,402 6.08,403 2.001,404 3.248,405 2.318,406 5.039,407 2.862,408 1.879,409 2.348,411 5.839,412 1.834,413 2.998,414 2.265,415 4.673,416 2.851,417 1.877,418 2.11,420 5.076,421 1.822,422 2.879,423 2.016,424 4.494,425 2.655,426 1.752,427 1.879,428 4.505,429 1.578,430 2.749,431 1.881,432 4.278,433 2.365,434 1.419,435 1.839,436 3.945,437 1.338,438 2.61,439 1.631,440 4.197,441 2.283,442 1.356,443 1.621,445 3.701,446 1.252,447 2.5,448 1.522,449 3.853,450 2.166,451 1.279,452 1.5,454 2.871,455 1.12,456 2.5,457 1.459,458 3.532,459 2,460 1.053,461 1.5,463 2.608,464 1,465 20.2,466 0.47,467 0.93,468 0.022,469 53.5,470 1.244,471 23,472 0.535,473 30.5,474 0.709,475 42.189,476 0.981,477 47,478 0.58,479 44.812,480 1.042,481 10.271,482 0.239,483 10.815,484 0.252,485 0.041,487 0.332,493 0.87,494 1.568,495 0.796,496 1.224,497 0.643,498 1.028,499 1.135,500 1.051,501 0.965,502 0.943,503 0.662,504 0.933,505 1.059,506 1.135,507 1.049,508 1.037,509 0.871,510 1.035,511 0.872,512 1.176,513 0.949,514 1.053,515 0.847,516 1.012,517 1.023,518 0.804,519 0.886,520 0.7,521 1.363,522 0.743,523 1,524 1.11,525 0.997,526 1.033,527 1.224,528 1.01,529 0.795,530 1.007,531 1.11,532 1.097,533 0.765,534 1.13,535 0.525,536 1.147,537 1.06,538 1.401,539 0.659,540 1.338,541 8,542 0.202,543 4.444,544 2.188,545 1.472,546 1.687,547 1.128,548 0.46,549 0.382,550 0.403,551 39200,552 87147,553 2.21,554 46.9,556 30,559 2,561 6,564 1.813,565 2.132,566 3.981,567 0.137,573 125.352,574 1.548,575 3.659,576 4.886,577 5.275,578 5.417,579 5.442,580 3.443,581 4.758,582 5.395,583 4.261,584 3847.52,585 9.525,586 74054.1,591 513.528,592 1.155,593 5.384,594 0.163,595 0.005,596 0.064,597 0.031,598 0.023,599 0.026,600 0.017,601 0.007,602 0.006,603 0.009,604 0.353,605 0.17,606 0.63,607 0.332,608 252.391,609 -0.029,610 -0.313,611 0.086,612 -0.121,613 -0.004,614 -0.018,615 0.023,616 0.098,617 0.001,618 0.056,619 0.112,620 0.022,621 -0.105,622 -0.065,623 -0.083,624 -0.043,625 -0.035,626 -0.057,627 -0.033,628 -0.174,629 0.028,630 -0.076,631 0.04,632 -0.024,633 0.009,634 0.215,635 0.124,636 0.229,637 -0.005,638 0.207,639 -0.096,640 -0.001,641 -0.052,642 -0.012,643 -0.108,644 -0.022,645 0.009,646 0.125,647 -0.184,648 -0.061,649 -0.061,650 -0.132,651 0.162,652 -0.144,653 -0.138,654 -0.316,655 0.102,656 -0.284,657 1.959,658 5.763,659 0.884,660 61.835,661 1.001,662 1.134,663 3.456,664 11.942,665 0.652,666 3.912,667 4.248,668 4.543,669 4.836,670 5.1,671 5.209,672 5.389,673 5.549,674 5.707,675 5.855,676 10.162,677 0.62,678 582.78,679 3.912,680 5.468,681 6.33,682 7.213,683 8.088,684 8.977,685 9.858,686 10.751,687 11.637,688 12.532,689 9.9,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 81,733 20,734 2,735 49,737 87,738 32,739 15,740 4,741 8,742 2,746 7,747 8,751 1,755 5,758 5,761 18,762 14,766 2,771 1,773 1,775 2,781 38,782 11,783 2,784 11,790 8,794 0.857,795 3,808 1,811 1,812 6,813 1,831 1,832 1,836 1,839 2,840 6,844 1,848 43,854 11,855 2,856 2,858 2,859 3,870 3.7,873 1,874 2,877 20.167,878 14.617,879 9.25,880 5.036,881 3.529,882 1.382,883 1.005,884 8.375,885 12.754,886 4.111,887 4.649,888 5.172,889 5.722,890 6.271,891 6.551,892 7.007,893 7.387,894 7.718,895 8.081,896 1,897 70,898 15.985,900 6.914,901 7.55,902 31.321,904 26.645,905 2.05,906 88.167,910 423.76,911 153.551,912 95.751,914 47.145,917 153.551,918 470.904,919 95.751,920 8.396,921 70.417,922 85.286,923 97.501,924 28.67,925 6.175,926 423.76,928 423.76,929 249.302,930 47.145,933 357.789,934 95.772,935 22,937 75.441,938 109.372,939 59.833,941 423.76,942 142.896,943 153.551,946 423.76,947 59.868,948 103.056,949 36.022,950 97.501,951 423.76,952 142.896,953 153.551,955 0.583,956 0.339,957 0.187,958 0.105,959 35,960 14,961 0.069,962 6,963 2,964 1.079,965 5.41,966 450.713,967 0.105,968 37,969 210.574,974 28.385,975 12.687,976 6.445,978 142.896,979 15.644,980 14.745,984 5.504,986 36.022,987 720.206,988 60,993 12.763,995 2.061,997 0.794,999 81.05,1000 91.843,1001 0.244,1002 0.577,1003 0.771,1004 0.832,1005 0.854,1006 0.858,1007 5.378,1008 2.138,1009 6.304,1010 6.416,1011 4.934,1012 5.338,1013 2.55,1014 7.107,1015 4.829,1016 6.544,1017 1.879,1018 7.851,1019 6.08,1020 4.443,1021 5.007,1022 1.494,1023 7.962,1024 4.291,1025 7.83,1026 1.877,1027 9.495,1028 5.839,1029 6.521,1030 7.395,1031 2.843,1032 11.069,1033 6.313,1034 9.145,1035 1.752,1036 11.197,1037 5.076,1038 6.858,1039 7.869,1040 2.41,1041 12.786,1042 6.597,1043 10.492,1044 1.419,1045 12.939,1046 4.505,1047 8.377,1048 9.742,1049 3.462,1050 15.398,1051 8.063,1052 11.861,1053 1.356,1054 14.708,1055 3.945,1056 9.112,1057 10.603,1058 3.427,1059 17.49,1060 8.738,1061 13.246,1062 1.279,1063 16.499,1064 3.701,1065 10.394,1066 12.243,1067 4.263,1068 19.939,1069 9.967,1070 3.22,1071 1.053,1072 18.306,1073 2.871,1074 11.328,1075 13.316,1076 4.469,1077 22.2,1078 10.834,1079 2.942,1080 11.296,1081 20.127,1082 2.608,1083 12.51,1084 14.837,1085 5.164,1086 24.601,1087 11.959,1088 2.89,1089 9.552,1090 21.959,1091 4.09,1092 13.543,1093 16.033,1094 5.505,1095 26.938,1096 12.923,1097 2.74,1098 9.075,1099 23.8,1100 3.705,1101 14.687,1102 17.49,1103 6.116,1104 29.331,1105 14.005,1106 2.607,1107 8.657,1108 25.649,1109 3.648,1110 15.769,1111 18.761,1112 6.531,1113 31.705,1114 15.016,1115 2.415,1116 7.618,1117 27.506,1118 3.315,1119 16.902,1120 20.184,1121 7.096,1122 34.103,1123 16.083,1124 2.262,1125 6.932,1126 29.368,1127 3.158,1128 18.011,1129 21.502,1130 7.551,1131 36.496,1132 17.119,1133 35214,1134 52764,1135 34.096,1136 52.83,1137 74.228,1138 75.191,1139 74.775,1140 73.62,1141 73.602,1142 89.178,1143 12.628,1144 211.514,1145 69.723,1146 5.45,1147 5.562,1148 6.619,1149 5.253,1150 5.22,1151 7.09,1152 2.912,1153 18.266,1154 4.996,1155 13.487,1156 1.515,1157 1.535,1158 1.526,1159 1.502,1160 1.502,1161 1.82,1162 0.258,1163 4.317,1164 1.423,1165 4.054,1166 4.101,1167 4.005,1168 3.924,1169 7.431,1170 3.935,1171 3.955,1172 4.003,1173 3.894,1174 3.846,1175 5.083,1176 3.85,1177 3.902,1178 3.942,1179 3.824,1180 3.78,1181 4.766,1182 3.786,1183 3.824,1184 3.862,1185 3.741,1186 3.698,1187 4.706,1188 3.702,1189 3.743,1190 3.808,1191 3.632,1192 3.559,1193 4.654,1194 3.566,1195 3.574,1196 3.629,1197 3.51,1198 3.348,1199 4.61,1200 3.385,1201 3.393,1202 3.443,1203 3.336,1204 3.114,1205 4.355,1206 3.166,1207 3.174,1208 3.272,1209 3.012,1210 2.951,1211 4.079,1212 2.93,1213 0.091,1214 0.073,1215 0.139,1216 0.085,1217 0.066,1218 4.45,1219 0.083,1220 3.562,1221 0.034,1222 6.817,1223 0.231,1224 4.149,1225 0.061,1226 3.22,1227 4.09,1228 1.656,1229 11.296,1230 2.996,1231 1.941,1232 1.91,1233 2.048,1234 2.078,1235 1.304,1236 2.069,1237 1.917,1238 1.881,1239 2.023,1240 2.061,1241 1.255,1242 2.05,1243 1.808,1244 1.773,1245 1.956,1246 1.961,1247 1.217,1248 1.959,1249 1.709,1250 1.639,1251 1.908,1252 1.905,1253 1.189,1254 1.907,1255 1.676,1256 1.627,1257 1.86,1258 1.894,1259 1.099,1260 1.889,1261 1.604,1262 1.543,1263 1.853,1264 1.76,1265 1.049,1266 1.798,1267 1.435,1268 1.383,1269 1.547,1270 1.695,1271 0.825,1272 1.657,1273 1.255,1274 1.2,1275 1.53,1276 1.556,1277 0.688,1278 1.528,1279 4.595,1281 5.927,1282 2.398,1283 7.453,1284 4.844,1285 9.063,1286 6.986,1287 10.717,1289 2.15,1295 9.694,1296 5.867,1297 11.327,1299 0.581,1300 7.035,1305 50.218,1306 125.352,1307 296.352,1308 395.753,1309 427.263,1310 438.773,1311 440.773,1312 64.804,1313 9.225,1314 107.98,1315 107.98,1316 41,1317 13.059,1318 4.392,1319 3.585,1320 58.568,1321 264,1322 305,1323 0.105,1324 300.113,1325 528.27,1326 724.037,1327 171443,1329 29.175,1330 0.678,1331 0.571,1332 29.175,1333 24.537,1334 21.086,1335 0.43,1336 0.31,1337 14.942,1338 20.128,1339 14.669,1340 12.014,1341 21.086,1342 15.202,1343 19.149,1344 0.278,1345 0.169,1346 19.149,1347 11.66,1348 16.472,1349 0.177,1350 0.094,1351 16.472,1352 8.74,1353 14.211,1354 0.114,1355 0.05,1356 14.211,1357 6.254,1358 11.905,1359 0.073,1360 0.027,1361 11.905,1362 4.358,1363 0.171,1364 132.904,1365 0.171,1366 38.804,1367 0.27,1368 236,1369 639.743,1370 261.928,1371 609.866,1372 849.16,1373 578,1374 280,1375 632.965,1376 306.958,1377 637.783,1378 943.74,1379 601,1380 7.292}
{0 CHEMBL1091350,1 1.536,2 17.558,3 3.58,4 12.816,5 162.933,6 7.046,7 0.367,8 4.529,9 4.659,10 4.064,11 4.009,12 5.506,13 3.996,14 5.138,15 5.329,16 4.441,17 4.444,18 6.091,19 4.403,20 5.425,21 5.658,22 4.483,23 4.628,24 6.286,25 4.543,26 5.47,27 5.734,28 4.405,29 4.585,30 6.349,31 4.476,32 5.375,33 5.642,34 4.405,35 4.503,36 6.345,37 4.424,38 5.217,39 5.427,40 4.4,41 4.507,42 6.155,43 4.438,44 5.299,45 5.509,46 4.417,47 4.606,48 6.199,49 4.512,50 5.475,51 5.714,52 4.37,53 4.676,54 6.324,55 4.529,56 0.024,57 1.303,58 18.842,59 7.195,60 9.244,61 10.3,62 0.587,63 2.144,64 37.922,65 12.379,66 45.906,67 17.982,68 0.596,69 2.649,70 51.909,71 16.259,72 50.645,73 24.734,74 0.524,75 2.642,76 55.377,77 16.905,78 64.355,79 26.489,80 0.844,81 2.412,82 51.192,83 14.197,84 88.653,85 22.623,86 0.394,87 2.268,88 40.949,89 13.737,90 45.999,91 20.36,92 0.554,93 2.439,94 44.205,95 15.8,96 48.164,97 23.177,98 0.454,99 2.623,100 53.859,101 21.236,102 61.639,103 30.247,104 5,105 69,106 0.232,107 0.528,108 0.703,109 0.779,110 0.8,111 0.804,112 3.787,113 0.949,114 -4.76,115 -4.67,116 -4.39,119 38.6,121 4,122 1,124 1,125 8,127 2,142 8,143 1,144 3,149 2,150 1,159 1,172 9,174 5,175 10,178 2,179 1,180 4,183 7,186 2,187 13,192 4,195 4,198 1,199 16,204 5,207 1,211 4,212 14,215 1,217 4,220 4,224 9,227 2,229 1,232 14,236 4,237 3,240 1,245 20,249 2,250 6,253 5,255 1,258 10,263 8,268 2,271 2,275 4198,276 29.772,277 29.772,278 29.772,279 29.772,280 29.772,281 27.611,282 46.611,283 17.572,284 30.633,285 24.261,286 24.261,287 24.261,288 24.261,289 24.261,290 20.875,291 69.042,292 8.432,293 25.651,294 4.839,295 2.876,296 1.714,297 1.208,298 1.069,299 1.045,300 4.513,306 1714,307 3.391,310 111.75,311 931.42,312 152.521,318 2.819,319 36.65,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 93,331 755,332 4.431,333 3.562,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.165,342 3.462,343 6.278,344 3.901,345 2.942,346 3.703,347 0.86,348 9.552,349 2.823,350 4.143,351 3.136,352 6.148,353 3.838,354 2.89,355 3.61,356 0.86,357 9.075,358 2.743,359 3.986,360 3.115,361 6.022,362 3.715,363 2.74,364 3.193,365 0.8,366 8.657,367 2.672,368 3.835,369 2.812,370 5.563,371 3.567,372 2.607,373 3.088,374 0.8,375 7.618,376 2.49,377 3.674,378 2.661,379 5.333,380 3.371,381 2.415,382 2.956,383 0.8,384 6.932,385 2.305,386 3.435,387 2.506,388 5.245,389 3.196,390 2.262,391 2.593,392 0.247,393 6.416,394 2.112,395 3.346,396 2.434,397 5.086,398 3.077,399 2.138,400 2.478,402 6.08,403 2.001,404 3.247,405 2.317,406 5.039,407 2.862,408 1.879,409 2.348,411 5.839,412 1.834,413 2.927,414 2.273,415 4.673,416 2.851,417 1.877,418 2.004,420 5.076,421 1.822,422 2.879,423 2.016,424 4.494,425 2.655,426 1.752,427 1.879,428 4.505,429 1.578,430 2.745,431 1.87,432 4.278,433 2.365,434 1.419,435 1.823,436 3.945,437 1.338,438 2.61,439 1.631,440 4.197,441 2.283,442 1.356,443 1.621,445 3.701,446 1.252,447 2.5,448 1.462,449 3.853,450 2.166,451 1.279,452 1.5,454 2.871,455 1.12,456 2.5,457 1.205,458 3.532,459 2,460 1.053,461 1.5,463 2.608,464 1,465 20.2,466 0.47,467 0.93,468 0.022,469 52,470 1.209,471 21.5,472 0.5,473 30.5,474 0.709,475 44.123,476 1.026,477 47.6,478 0.573,479 42.879,480 0.997,481 9.701,482 0.226,483 11.385,484 0.265,485 0.041,487 0.332,493 0.868,494 1.594,495 0.816,496 1.252,497 0.635,498 1.055,499 1.116,500 1.081,501 0.981,502 0.981,503 0.659,504 0.967,505 1.083,506 1.118,507 1.053,508 1.025,509 0.885,510 1.027,511 0.906,512 1.157,513 0.956,514 1.036,515 0.862,516 1.001,517 1.034,518 0.816,519 0.903,520 0.715,521 1.368,522 0.759,523 1.014,524 1.134,525 1.032,526 1.064,527 1.223,528 1.044,529 0.76,530 1.037,531 1.117,532 1.138,533 0.723,534 1.163,535 0.528,536 1.108,537 1.025,538 1.344,539 0.623,540 1.284,541 8,542 0.202,543 4.444,544 2.188,545 1.472,546 1.687,547 1.128,548 0.46,549 0.382,550 0.403,551 39200,552 84856,553 2.21,554 48.2,556 29,559 2,560 1,561 8,564 1.813,565 2.132,566 3.981,567 0.137,573 127.496,574 1.536,575 3.499,576 4.661,577 5.167,578 5.306,579 5.33,580 3.443,581 4.758,582 5.395,583 4.261,584 3847.52,585 9.525,586 74054.1,591 529.128,592 1.155,593 5.384,594 0.163,595 0.005,596 0.064,597 0.031,598 0.023,599 0.026,600 0.017,601 0.007,602 0.006,603 0.009,604 0.353,605 0.17,606 0.63,607 0.332,608 252.391,609 -0.023,610 -0.314,611 0.088,612 -0.12,613 0.01,614 -0.017,615 0.031,616 0.078,617 -0.004,618 0.036,619 0.112,620 0.006,621 -0.108,622 -0.052,623 -0.077,624 -0.03,625 -0.042,626 -0.046,627 -0.042,628 -0.158,629 0.025,630 -0.062,631 0.032,632 -0.016,633 0.003,634 0.208,635 0.106,636 0.213,637 -0.011,638 0.188,639 -0.104,640 -0.008,641 -0.078,642 -0.033,643 -0.107,644 -0.047,645 0.019,646 0.092,647 -0.182,648 -0.085,649 -0.037,650 -0.148,651 0.161,652 -0.123,653 -0.094,654 -0.263,655 0.115,656 -0.227,657 1.952,658 5.769,659 0.884,660 61.835,661 0.999,662 1.136,663 3.528,664 12.449,665 0.646,666 3.912,667 4.248,668 4.543,669 4.836,670 5.1,671 5.209,672 5.389,673 5.549,674 5.707,675 5.855,676 10.162,677 0.611,678 584.8,679 3.912,680 5.468,681 6.33,682 7.213,683 8.088,684 8.977,685 9.858,686 10.751,687 11.637,688 12.532,689 9.6,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 83,733 19,734 2,735 49,737 89,738 32,739 15,740 4,741 8,746 7,747 8,751 1,755 6,756 1,758 6,761 16,762 16,763 1,766 1,771 1,775 1,781 40,782 11,783 2,784 11,790 8,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 1,848 43,854 12,855 2,856 2,858 3,859 3,870 3.6,873 1,874 2,877 20.167,878 14.867,879 9.25,880 5.265,881 3.42,882 1.371,883 0.997,884 8.554,885 12.645,886 4.094,887 4.62,888 5.131,889 5.681,890 6.223,891 6.491,892 6.927,893 7.302,894 7.617,895 7.977,896 1,897 70,898 16.012,900 6.944,901 7.531,902 31.522,904 27.04,905 2.031,906 87.333,910 447.302,911 143.423,912 95.751,914 47.145,917 143.423,918 494.447,919 95.751,920 8.396,921 72.952,922 75.81,923 97.501,924 25.485,925 6.175,926 447.302,928 447.302,929 239.174,930 47.145,933 357.789,934 119.314,935 22,937 77.975,938 106.187,939 50.357,941 447.302,942 142.896,943 143.423,946 447.302,947 59.217,948 93.579,949 36.022,950 97.501,951 447.302,952 142.896,953 143.423,955 0.583,956 0.339,957 0.187,958 0.105,959 35,960 14,961 0.067,962 6,963 2,964 1.079,965 5.41,966 450.713,967 0.105,968 37,969 209.329,974 28.63,975 12.848,976 6.542,978 142.896,979 15.73,980 14.909,984 5.772,986 36.022,987 733.621,988 59,993 12.769,997 -0.285,999 82.934,1000 94.258,1001 0.241,1002 0.549,1003 0.731,1004 0.811,1005 0.832,1006 0.836,1007 5.364,1008 2.138,1009 6.304,1010 6.416,1011 4.934,1012 5.308,1013 2.454,1014 7.107,1015 4.829,1016 6.52,1017 1.879,1018 7.851,1019 6.08,1020 4.443,1021 4.966,1022 1.494,1023 7.962,1024 4.291,1025 7.801,1026 1.877,1027 9.495,1028 5.839,1029 6.521,1030 7.343,1031 2.692,1032 11.069,1033 6.313,1034 9.11,1035 1.752,1036 11.197,1037 5.076,1038 6.858,1039 7.805,1040 2.41,1041 12.786,1042 6.597,1043 10.452,1044 1.419,1045 12.939,1046 4.505,1047 8.377,1048 9.675,1049 3.334,1050 15.398,1051 8.063,1052 11.815,1053 1.356,1054 14.708,1055 3.945,1056 9.112,1057 10.522,1058 3.427,1059 17.49,1060 8.738,1061 13.195,1062 1.279,1063 16.499,1064 3.701,1065 10.394,1066 12.165,1067 4.182,1068 19.939,1069 9.967,1070 3.22,1071 1.053,1072 18.306,1073 2.871,1074 11.328,1075 13.224,1076 4.469,1077 22.2,1078 10.834,1079 2.942,1080 11.296,1081 20.127,1082 2.608,1083 12.51,1084 14.748,1085 5.119,1086 24.601,1087 11.959,1088 2.89,1089 9.552,1090 21.959,1091 4.057,1092 13.543,1093 15.931,1094 5.505,1095 26.938,1096 12.923,1097 2.74,1098 9.075,1099 23.8,1100 3.703,1101 14.687,1102 17.39,1103 6.093,1104 29.331,1105 14.005,1106 2.607,1107 8.657,1108 25.649,1109 3.61,1110 15.769,1111 18.649,1112 6.531,1113 31.705,1114 15.016,1115 2.415,1116 7.618,1117 27.506,1118 3.193,1119 16.902,1120 20.072,1121 7.084,1122 34.103,1123 16.083,1124 2.262,1125 6.932,1126 29.368,1127 3.088,1128 18.011,1129 21.379,1130 7.551,1131 36.496,1132 17.119,1133 35214,1134 52049,1135 34.096,1136 53.591,1137 74.081,1138 75.028,1139 74.775,1140 73.62,1141 73.602,1142 87.836,1143 12.046,1144 211.514,1145 69.723,1146 5.431,1147 5.562,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 13.487,1156 1.512,1157 1.531,1158 1.526,1159 1.502,1160 1.502,1161 1.793,1162 0.246,1163 4.317,1164 1.423,1165 4.055,1166 4.103,1167 4.003,1168 3.923,1169 7.431,1170 3.934,1171 3.955,1172 4.004,1173 3.893,1174 3.845,1175 5.071,1176 3.85,1177 3.902,1178 3.943,1179 3.824,1180 3.78,1181 4.766,1182 3.785,1183 3.826,1184 3.871,1185 3.725,1186 3.686,1187 4.697,1188 3.687,1189 3.743,1190 3.808,1191 3.631,1192 3.558,1193 4.626,1194 3.566,1195 3.579,1196 3.635,1197 3.509,1198 3.352,1199 4.59,1200 3.388,1201 3.394,1202 3.444,1203 3.337,1204 3.115,1205 4.355,1206 3.167,1207 3.174,1208 3.272,1209 3.012,1210 2.951,1211 4.073,1212 2.931,1213 0.09,1214 0.073,1215 0.139,1216 0.085,1217 0.066,1218 4.431,1219 0.083,1220 3.562,1221 0.034,1222 6.817,1223 0.231,1224 4.149,1225 0.061,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.941,1232 1.909,1233 2.049,1234 2.083,1235 1.368,1236 2.071,1237 1.917,1238 1.881,1239 2.037,1240 2.064,1241 1.304,1242 2.058,1243 1.815,1244 1.772,1245 1.987,1246 1.971,1247 1.255,1248 1.976,1249 1.709,1250 1.639,1251 1.908,1252 1.913,1253 1.197,1254 1.91,1255 1.678,1256 1.627,1257 1.86,1258 1.895,1259 1.1,1260 1.892,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.049,1266 1.798,1267 1.44,1268 1.388,1269 1.549,1270 1.7,1271 0.825,1272 1.662,1273 1.256,1274 1.201,1275 1.534,1276 1.557,1277 0.825,1278 1.529,1279 4.595,1281 5.927,1282 2.398,1283 7.453,1284 4.844,1285 9.063,1286 6.986,1287 10.717,1289 2.152,1295 11.044,1296 5.883,1297 11.415,1299 0.877,1300 7.067,1305 50.744,1306 127.496,1307 290.412,1308 386.864,1309 428.864,1310 440.373,1311 442.373,1312 67.889,1313 9.225,1314 107.98,1315 107.98,1316 41,1317 13.059,1318 4.322,1319 3.459,1320 58.568,1321 264,1322 305,1323 0.105,1324 303.041,1325 530.91,1326 731.179,1327 171443,1329 29.175,1330 0.678,1331 0.575,1332 29.175,1333 24.744,1334 21.086,1335 0.43,1336 0.316,1337 15.247,1338 20.128,1339 14.98,1340 12.257,1341 21.086,1342 15.507,1343 19.149,1344 0.278,1345 0.174,1346 19.149,1347 12.027,1348 16.472,1349 0.177,1350 0.098,1351 16.472,1352 9.093,1353 14.211,1354 0.114,1355 0.052,1356 14.211,1357 6.535,1358 11.905,1359 0.073,1360 0.028,1361 11.905,1362 4.579,1363 0.171,1364 132.904,1365 0.171,1366 38.804,1367 0.27,1368 236,1369 627.743,1370 261.928,1371 596.981,1372 830.73,1373 566,1374 280,1375 618.965,1376 306.958,1377 622.227,1378 920.52,1379 587,1380 6.11}
{0 CHEMBL1091351,1 1.55,2 16.833,3 3.044,4 9.267,5 157.638,6 7.135,7 0.375,8 4.497,9 4.627,10 4.041,11 3.981,12 5.482,13 3.971,14 5.102,15 5.286,16 4.415,17 4.415,18 6.072,19 4.375,20 5.398,21 5.638,22 4.453,23 4.584,24 6.262,25 4.501,26 5.398,27 5.655,28 4.381,29 4.529,30 6.303,31 4.433,32 5.308,33 5.561,34 4.389,35 4.468,36 6.313,37 4.398,38 5.2,39 5.412,40 4.374,41 4.48,42 6.142,43 4.411,44 5.269,45 5.483,46 4.386,47 4.565,48 6.165,49 4.473,50 5.427,51 5.662,52 4.35,53 4.635,54 6.287,55 4.495,56 0.032,57 1.263,58 17.922,59 6.896,60 8.834,61 9.771,62 0.55,63 2.078,64 35.969,65 12.087,66 45.58,67 17.297,68 0.62,69 2.556,70 50.727,71 15.588,72 52.779,73 23.755,74 0.517,75 2.494,76 51.242,77 15.477,78 61.794,79 24.135,80 0.786,81 2.309,82 47.202,83 13.355,84 85.461,85 20.938,86 0.399,87 2.221,88 40.087,89 13.404,90 47.028,91 19.804,92 0.563,93 2.354,94 42.786,95 15.121,96 47.668,97 22.178,98 0.443,99 2.517,100 51.036,101 20.198,102 59.879,103 28.641,104 2,105 67,106 0.235,107 0.537,108 0.699,109 0.779,110 0.801,111 0.804,112 3.765,113 0.946,114 -4.57,115 -4.49,116 -4.23,119 38.8,121 4,122 1,125 8,127 2,142 8,143 1,144 3,149 2,150 1,159 1,172 9,174 5,175 10,178 2,179 1,180 4,183 7,186 1,187 13,190 1,192 4,195 4,198 1,199 16,204 5,207 1,211 4,212 12,215 1,217 6,220 4,224 7,227 2,229 3,232 14,236 4,237 3,240 1,245 20,249 2,250 6,253 4,254 1,255 1,258 10,263 8,268 2,271 2,275 3954,276 29.325,277 29.325,278 29.325,279 29.325,280 29.325,281 27.163,282 46.419,283 17.486,284 30.143,285 23.795,286 23.795,287 23.795,288 23.795,289 23.795,290 20.409,291 68.828,292 8.395,293 25.12,294 4.772,295 2.783,296 1.719,297 1.194,298 1.05,299 1.025,300 4.493,306 1610,307 3.317,310 107.806,311 902.301,312 147.168,318 2.667,319 37.13,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 91,331 707,332 4.431,333 3.562,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.164,342 3.462,343 6.278,344 3.901,345 2.942,346 3.703,347 0.86,348 9.552,349 2.823,350 4.141,351 3.115,352 6.143,353 3.826,354 2.876,355 3.61,356 0.86,357 9.057,358 2.736,359 3.986,360 3.108,361 6.022,362 3.714,363 2.739,364 3.193,365 0.8,366 8.657,367 2.671,368 3.83,369 2.812,370 5.563,371 3.558,372 2.598,373 3.087,374 0.8,375 7.616,376 2.482,377 3.664,378 2.532,379 5.331,380 3.341,381 2.381,382 2.952,383 0.4,384 6.924,385 2.282,386 3.411,387 2.464,388 5.245,389 3.094,390 2.15,391 2.586,392 0.247,393 6.414,394 2.025,395 3.293,396 2.318,397 5.086,398 2.919,399 1.942,400 2.465,402 5.839,403 1.884,404 2.949,405 2.273,406 4.689,407 2.851,408 1.879,409 2.017,411 5.134,412 1.822,413 2.923,414 2.016,415 4.5,416 2.702,417 1.761,418 1.985,420 4.531,421 1.668,422 2.879,423 2.013,424 4.402,425 2.653,426 1.725,427 1.879,428 4.366,429 1.577,430 2.742,431 1.87,432 4.201,433 2.292,434 1.371,435 1.82,436 3.717,437 1.259,438 2.5,439 1.462,440 3.853,441 2.167,442 1.282,443 1.5,445 2.871,446 1.12,447 2.5,448 1.45,449 3.532,450 2.077,451 1.148,452 1.5,454 2.692,455 1.063,456 2.323,457 1.205,458 3.502,459 2,460 1.053,461 1.32,463 2.607,464 1,465 19.7,466 0.469,467 0.824,468 0.02,469 51.25,470 1.22,471 21.5,472 0.512,473 29.75,474 0.708,475 42.154,476 1.004,477 46.3,478 0.579,479 41.631,480 0.991,481 9.532,482 0.227,483 11.16,484 0.266,485 0.017,487 0.32,493 0.882,494 1.539,495 0.81,496 1.213,497 0.64,498 1.026,499 1.075,500 1.129,501 0.992,502 1.042,503 0.674,504 1.016,505 1.076,506 1.076,507 1.016,508 0.971,509 0.876,510 0.976,511 0.951,512 1.147,513 0.963,514 1.017,515 0.888,516 0.988,517 1.041,518 0.876,519 0.941,520 0.777,521 1.412,522 0.816,523 1.002,524 1.134,525 1.037,526 1.071,527 1.213,528 1.052,529 0.756,530 1.007,531 1.095,532 1.105,533 0.71,534 1.133,535 0.534,536 1.104,537 1.024,538 1.348,539 0.609,540 1.287,541 7,542 0.169,543 4,544 2.125,545 1.281,546 1.576,547 1.046,548 0.445,549 0.337,550 0.392,551 36673,552 81057,553 2.23,554 47.5,556 26,559 3,560 1,561 8,564 1.808,565 2.172,566 3.929,567 0.748,573 123.998,574 1.55,575 3.539,576 4.603,577 5.128,578 5.272,579 5.297,580 3.332,581 4.678,582 5.361,583 4.209,584 3624.12,585 9.46,586 68170.2,591 505.754,592 1.042,593 5.358,594 0.146,595 0.004,596 0.06,597 0.031,598 0.021,599 0.025,600 0.016,601 0.007,602 0.006,603 0.009,604 0.325,605 0.17,606 0.63,607 0.257,608 244.315,609 -0.042,610 -0.265,611 0.081,612 -0.092,613 0.004,614 -0.001,615 0.039,616 0.026,617 -0.03,618 -0.017,619 0.099,620 -0.042,621 -0.102,622 -0.03,623 -0.037,624 0.011,625 -0.035,627 -0.064,628 -0.137,629 0.018,630 -0.046,631 0.021,632 -0.007,633 -0.006,634 0.171,635 0.059,636 0.165,637 -0.032,638 0.135,639 -0.106,640 -0.021,641 -0.088,642 -0.047,643 -0.115,644 -0.06,645 0.022,646 0.108,647 -0.163,648 -0.063,649 -0.03,650 -0.125,651 0.162,652 -0.118,653 -0.094,654 -0.266,655 0.125,656 -0.231,657 1.954,658 5.73,659 0.905,660 58.633,661 1.001,662 1.136,663 3.34,664 11.159,665 0.648,666 3.892,667 4.22,668 4.522,669 4.82,670 5.075,671 5.176,672 5.371,673 5.533,674 5.68,675 5.832,676 9.857,677 0.615,678 570.77,679 3.892,680 5.442,681 6.304,682 7.186,683 8.061,684 8.949,685 9.831,686 10.723,687 11.61,688 12.505,689 10,691 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 80,733 19,734 2,735 48,737 86,738 31,739 15,740 4,741 8,746 7,747 8,751 1,755 6,756 1,758 6,761 16,762 15,763 1,766 1,771 1,775 1,781 38,782 11,783 3,784 11,790 8,794 0.857,795 3,808 1,811 1,812 6,813 1,835 1,839 2,840 6,848 42,854 12,855 3,856 2,858 3,859 2,870 3.8,873 1,874 2,877 19.333,878 13.917,879 9.083,880 5.115,881 3.4,882 1.372,883 1.004,884 8.319,885 12.545,886 4.078,887 4.6,888 5.119,889 5.674,890 6.215,891 6.479,892 6.919,893 7.293,894 7.6,895 7.962,896 0.909,897 68,898 15.639,900 6.806,901 7.544,902 30.74,904 26.418,905 2.044,906 85.833,910 411.989,911 135.027,912 110.637,914 47.145,917 135.027,918 459.133,919 110.637,921 72.952,922 93.821,923 97.501,924 22.36,925 6.175,926 411.989,928 411.989,929 245.665,930 47.145,933 322.476,934 119.314,935 22,937 92.862,938 97.79,939 50.357,941 411.989,942 157.782,943 135.027,946 411.989,947 59.217,948 82.059,949 54.032,950 97.501,951 411.989,952 157.782,953 135.027,955 0.579,956 0.339,957 0.191,958 0.105,959 34,960 13,961 0.07,962 6,963 2,964 1.079,965 5.35,966 437.871,967 0.105,968 37,969 204.477,974 27.688,975 12.62,976 6.315,978 157.782,979 15.67,980 14.896,984 5.753,986 54.032,987 704.798,988 58,993 12.73,997 -0.287,999 80.05,1000 90.843,1001 0.245,1002 0.56,1003 0.728,1004 0.811,1005 0.834,1006 0.838,1007 5.34,1008 1.942,1009 6.271,1010 6.414,1011 4.905,1012 5.288,1013 2.398,1014 7.072,1015 4.803,1016 6.492,1017 1.879,1018 7.814,1019 5.839,1020 4.369,1021 4.924,1022 1.404,1023 7.923,1024 4.229,1025 7.771,1026 1.761,1027 9.456,1028 5.134,1029 6.485,1030 7.328,1031 2.664,1032 11.044,1033 6.283,1034 9.08,1035 1.725,1036 11.16,1037 4.531,1038 6.804,1039 7.784,1040 2.382,1041 12.769,1042 6.555,1043 10.423,1044 1.371,1045 12.905,1046 4.366,1047 8.342,1048 9.665,1049 3.325,1050 15.385,1051 8.036,1052 11.788,1053 1.282,1054 14.678,1055 3.717,1056 9.072,1057 10.513,1058 3.421,1059 17.483,1060 8.708,1061 13.171,1062 1.148,1063 16.473,1064 2.871,1065 10.364,1066 12.16,1067 4.179,1068 19.933,1069 9.944,1070 3.22,1071 1.053,1072 18.284,1073 2.692,1074 11.298,1075 13.219,1076 4.467,1077 22.196,1078 10.813,1079 2.942,1080 11.296,1081 20.108,1082 2.607,1083 12.486,1084 14.745,1085 5.118,1086 24.597,1087 11.942,1088 2.876,1089 9.552,1090 21.943,1091 4.057,1092 13.52,1093 15.929,1094 5.504,1095 26.936,1096 12.906,1097 2.739,1098 9.057,1099 23.787,1100 3.703,1101 14.667,1102 17.388,1103 6.093,1104 29.329,1105 13.991,1106 2.598,1107 8.657,1108 25.639,1109 3.61,1110 15.751,1111 18.648,1112 6.531,1113 31.704,1114 15.003,1115 2.381,1116 7.616,1117 27.497,1118 3.193,1119 16.885,1120 20.071,1121 7.084,1122 34.102,1123 16.071,1124 2.15,1125 6.924,1126 29.361,1127 3.087,1128 17.996,1129 21.378,1130 7.551,1131 36.495,1132 17.108,1133 32799,1134 48972,1135 33.69,1136 51.83,1137 72.3,1138 73.516,1139 72.655,1140 71.994,1141 72.005,1142 86.243,1143 11.246,1144 205.289,1145 68.303,1146 5.431,1147 5.562,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 8.888,1156 1.506,1157 1.532,1158 1.514,1159 1.5,1160 1.5,1161 1.797,1162 0.234,1163 4.277,1164 1.423,1165 4.054,1166 4.102,1167 4.002,1168 3.922,1169 7.431,1170 3.933,1171 3.952,1172 3.999,1173 3.89,1174 3.844,1175 5.071,1176 3.848,1177 3.901,1178 3.942,1179 3.824,1180 3.78,1181 4.767,1182 3.785,1183 3.825,1184 3.87,1185 3.725,1186 3.686,1187 4.697,1188 3.687,1189 3.715,1190 3.784,1191 3.597,1192 3.524,1193 4.626,1194 3.531,1195 3.578,1196 3.634,1197 3.506,1198 3.351,1199 4.59,1200 3.387,1201 3.385,1202 3.431,1203 3.327,1204 3.104,1205 4.37,1206 3.158,1207 3.144,1208 3.206,1209 2.956,1210 2.951,1211 4.071,1212 2.926,1213 0.092,1214 0.074,1215 0.142,1216 0.086,1217 0.067,1218 4.431,1219 0.085,1220 3.562,1221 0.035,1222 6.817,1223 0.235,1224 4.149,1225 0.062,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.941,1232 1.909,1233 2.046,1234 2.082,1235 1.368,1236 2.069,1237 1.915,1238 1.88,1239 2.036,1240 2.058,1241 1.275,1242 2.054,1243 1.815,1244 1.772,1245 1.986,1246 1.969,1247 1.255,1248 1.975,1249 1.682,1250 1.628,1251 1.889,1252 1.91,1253 1.197,1254 1.899,1255 1.676,1256 1.607,1257 1.86,1258 1.88,1259 1.1,1260 1.885,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.037,1266 1.798,1267 1.44,1268 1.388,1269 1.542,1270 1.698,1271 0.825,1272 1.661,1273 1.238,1274 1.19,1275 1.513,1276 1.541,1277 0.825,1278 1.496,1279 4.575,1281 5.9,1282 2.398,1283 7.424,1284 4.844,1285 9.033,1286 6.986,1287 10.687,1295 10.856,1296 9.232,1297 11.407,1299 0.878,1300 4.698,1305 49.218,1306 123.998,1307 283.108,1308 368.244,1309 410.244,1310 421.754,1311 423.754,1312 65.436,1313 9.144,1314 116.77,1315 116.77,1316 41,1317 13.032,1318 4.322,1319 3.459,1320 56.533,1321 249,1322 278,1323 0.107,1324 293.448,1325 513.61,1326 707.774,1327 154372,1329 28.305,1330 0.674,1331 0.567,1332 28.305,1333 23.797,1334 20.692,1335 0.431,1336 0.315,1337 14.887,1338 19.77,1339 14.693,1340 11.995,1341 20.692,1342 15.135,1343 18.527,1344 0.277,1345 0.171,1346 18.527,1347 11.474,1348 16.061,1349 0.176,1350 0.096,1351 16.061,1352 8.707,1353 14.059,1354 0.114,1355 0.052,1356 14.059,1357 6.393,1358 11.681,1359 0.073,1360 0.028,1361 11.681,1362 4.395,1363 0.174,1364 130.344,1365 0.172,1366 38.029,1367 0.277,1368 230,1369 616.431,1370 255.567,1371 585.846,1372 816.53,1373 556,1374 273,1375 609.332,1376 299.125,1377 610.427,1378 904.91,1379 578,1380 6.532}
{0 CHEMBL1091352,1 1.523,2 18.295,3 3.929,4 15.435,5 167.681,6 6.963,7 0.36,8 4.559,9 4.691,10 4.084,11 4.04,12 5.526,13 4.024,14 5.171,15 5.364,16 4.458,17 4.472,18 6.114,19 4.427,20 5.462,21 5.703,22 4.507,23 4.655,24 6.308,25 4.569,26 5.495,27 5.753,28 4.437,29 4.63,30 6.372,31 4.519,32 5.449,33 5.722,34 4.428,35 4.56,36 6.389,37 4.468,38 5.29,39 5.519,40 4.415,41 4.54,42 6.192,43 4.463,44 5.313,45 5.522,46 4.442,47 4.629,48 6.211,49 4.536,50 5.499,51 5.734,52 4.402,53 4.712,54 6.353,55 4.566,56 0.033,57 1.341,58 19.77,59 7.523,60 9.101,61 10.835,62 0.589,63 2.208,64 39.52,65 12.917,66 46.529,67 18.912,68 0.645,69 2.73,70 54.411,71 16.714,72 51.361,73 25.727,74 0.514,75 2.735,76 56.456,77 17.553,78 62.341,79 27.408,80 0.859,81 2.56,82 55.232,83 15.632,84 91.157,85 24.964,86 0.464,87 2.371,88 45.04,89 14.605,90 49.422,91 22.073,92 0.562,93 2.485,94 45.106,95 16.156,96 47.253,97 23.749,98 0.459,99 2.708,100 55.123,101 21.885,102 61.652,103 31.141,104 6,105 70,106 0.228,107 0.519,108 0.699,109 0.785,110 0.805,111 0.808,112 3.81,113 0.965,114 -4.94,115 -4.85,116 -4.55,119 38.4,120 1,121 4,122 1,125 9,127 2,142 8,143 1,144 3,149 2,150 1,159 1,172 9,174 5,175 11,178 2,179 1,180 4,183 7,186 2,187 13,192 4,195 4,198 1,199 16,204 5,207 1,211 4,212 15,215 1,217 4,220 4,224 9,227 2,229 1,232 14,236 4,237 3,240 1,245 22,249 2,250 6,253 5,255 1,258 12,263 8,268 2,271 2,275 4454,276 30.643,277 30.643,278 30.643,279 30.643,280 30.643,281 28.481,282 48.192,283 18.07,284 31.539,285 24.688,286 24.688,287 24.688,288 24.688,289 24.688,290 21.303,291 70.81,292 8.571,293 26.104,294 4.903,295 2.967,296 1.761,297 1.189,298 1.055,299 1.032,300 4.535,306 1822,307 3.536,310 115.731,311 961.13,312 157.933,318 2.95,319 37.232,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 95,331 805,332 4.431,333 3.562,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.165,342 3.462,343 6.278,344 3.901,345 2.942,346 3.704,347 0.86,348 9.552,349 2.823,350 4.143,351 3.143,352 6.15,353 3.841,354 2.894,355 3.61,356 0.86,357 9.082,358 2.745,359 3.986,360 3.115,361 6.022,362 3.715,363 2.74,364 3.193,365 0.8,366 8.657,367 2.672,368 3.836,369 2.812,370 5.564,371 3.572,372 2.612,373 3.088,374 0.8,375 7.62,376 2.494,377 3.679,378 2.736,379 5.344,380 3.395,381 2.447,382 2.957,383 0.8,384 6.961,385 2.322,386 3.468,387 2.513,388 5.284,389 3.256,390 2.315,391 2.599,392 0.247,393 6.728,394 2.17,395 3.378,396 2.444,397 5.242,398 3.083,399 2.142,400 2.496,402 6.412,403 2.009,404 3.267,405 2.317,406 5.086,407 2.87,408 1.884,409 2.411,411 5.839,412 1.843,413 2.927,414 2.273,415 4.679,416 2.851,417 1.879,418 2.004,420 5.093,421 1.822,422 2.879,423 2.016,424 4.495,425 2.655,426 1.752,427 1.879,428 4.508,429 1.578,430 2.746,431 1.87,432 4.313,433 2.407,434 1.452,435 1.823,436 4.029,437 1.382,438 2.655,439 1.655,440 4.199,441 2.286,442 1.362,443 1.673,445 3.706,446 1.255,447 2.5,448 1.462,449 3.853,450 2.166,451 1.28,452 1.5,454 2.871,455 1.12,456 2.5,457 1.205,458 3.532,459 2,460 1.053,461 1.5,463 2.608,464 1,465 20.7,466 0.47,467 0.892,468 0.02,469 52.5,470 1.193,471 21.5,472 0.489,473 31,474 0.705,475 46.394,476 1.054,477 48.9,478 0.569,479 43.157,480 0.981,481 9.684,482 0.22,483 11.939,484 0.271,485 0.04,487 0.324,493 0.866,494 1.593,495 0.829,496 1.258,497 0.639,498 1.066,499 1.103,500 1.122,501 0.986,502 1.014,503 0.658,504 0.991,505 1.106,506 1.072,507 1.032,508 0.969,509 0.872,510 0.978,511 0.915,512 1.195,513 0.991,514 1.083,515 0.871,516 1.047,517 0.983,518 0.849,519 0.899,520 0.758,521 1.309,522 0.792,523 1.006,524 1.051,525 0.983,526 0.974,527 1.171,528 0.965,529 0.769,530 1.039,531 1.112,532 1.13,533 0.726,534 1.154,535 0.534,536 1.133,537 1.045,538 1.364,539 0.636,540 1.303,541 8,542 0.202,543 4.444,544 2.188,545 1.512,546 1.75,547 1.128,548 0.46,549 0.394,550 0.419,551 41923,552 88947,553 2.205,554 48.8,556 28,559 2,560 1,561 11,564 1.818,565 2.129,566 4.031,567 0.126,573 130.962,574 1.523,575 3.46,576 4.665,577 5.237,578 5.371,579 5.394,580 3.49,581 4.743,582 5.428,583 4.314,584 4080.59,585 9.588,586 80411,591 552.659,592 1.143,593 5.418,594 0.16,595 0.005,596 0.063,597 0.03,598 0.023,599 0.027,600 0.017,601 0.007,602 0.006,603 0.009,604 0.348,605 0.17,606 0.63,607 0.451,608 260.575,609 -0.018,610 -0.306,611 0.088,612 -0.117,613 0.011,614 -0.016,615 0.045,616 0.039,617 -0.002,618 0.009,619 0.117,620 -0.01,621 -0.109,622 -0.008,623 -0.046,624 0.017,625 -0.029,626 -0.001,627 -0.049,628 -0.176,629 -0.015,630 -0.098,631 0.025,632 -0.059,633 0.024,634 0.162,635 0.107,636 0.175,637 0.004,638 0.162,639 -0.089,640 0.045,641 -0.014,642 0.037,643 -0.082,644 0.028,645 0.02,646 0.103,647 -0.172,648 -0.071,649 -0.03,650 -0.133,651 0.154,652 -0.131,653 -0.115,654 -0.276,655 0.107,656 -0.244,657 1.95,658 5.802,659 0.864,660 65.304,661 0.998,662 1.136,663 3.714,664 13.792,665 0.644,666 3.932,667 4.263,668 4.564,669 4.852,670 5.112,671 5.231,672 5.416,673 5.565,674 5.72,675 5.878,676 10.487,677 0.608,678 598.83,679 3.932,680 5.485,681 6.347,682 7.229,683 8.104,684 8.992,685 9.874,686 10.766,687 11.652,688 12.547,689 9.3,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 86,733 19,734 2,735 50,737 92,738 33,739 15,740 4,741 8,746 7,747 8,751 1,752 1,755 6,756 1,758 6,761 16,762 17,763 1,766 1,771 1,775 1,781 42,782 11,783 2,784 11,790 8,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 1,848 44,854 13,855 2,856 2,858 3,859 3,870 3.5,873 1,874 2,877 20.667,878 15.367,879 9.583,880 5.665,881 3.437,882 1.37,883 0.993,884 9.055,885 12.737,886 4.111,887 4.63,888 5.143,889 5.687,890 6.227,891 6.497,892 6.935,893 7.308,894 7.624,895 7.989,896 0.917,897 72,898 16.392,900 7.087,901 7.519,902 32.339,904 27.694,905 2.019,906 88.833,910 470.844,911 145.958,912 95.751,914 47.145,917 145.958,918 517.989,919 95.751,920 8.825,921 75.058,922 75.81,923 97.501,924 25.485,925 6.175,926 470.844,928 470.844,929 241.709,930 47.145,933 346.018,934 154.627,935 22,937 88.906,938 97.79,939 50.357,941 470.844,942 142.896,943 145.958,946 470.844,947 61.323,948 94.008,949 36.022,950 97.501,951 470.844,952 142.896,953 145.958,955 0.58,956 0.342,957 0.188,958 0.103,959 35,960 14,961 0.076,962 7,963 2,964 1.079,965 5.494,966 462.465,967 0.105,968 37,969 216.215,974 29.574,975 13.471,976 6.779,978 142.896,979 15.775,980 14.921,984 5.786,986 36.022,987 759.698,988 60,993 12.802,997 -0.283,999 85.818,1000 97.673,1001 0.237,1002 0.538,1003 0.726,1004 0.815,1005 0.836,1006 0.839,1007 5.378,1008 2.142,1009 6.319,1010 6.728,1011 4.949,1012 5.318,1013 2.454,1014 7.122,1015 4.843,1016 6.531,1017 1.884,1018 7.866,1019 6.412,1020 4.443,1021 4.966,1022 1.494,1023 7.98,1024 4.291,1025 7.811,1026 1.879,1027 9.51,1028 5.839,1029 6.535,1030 7.35,1031 2.692,1032 11.084,1033 6.326,1034 9.119,1035 1.752,1036 11.213,1037 5.093,1038 6.868,1039 7.809,1040 2.41,1041 12.801,1042 6.606,1043 10.461,1044 1.452,1045 12.954,1046 4.508,1047 8.391,1048 9.679,1049 3.334,1050 15.409,1051 8.075,1052 11.824,1053 1.362,1054 14.724,1055 4.029,1056 9.124,1057 10.525,1058 3.427,1059 17.499,1060 8.748,1061 13.203,1062 1.28,1063 16.514,1064 3.706,1065 10.407,1066 12.167,1067 4.182,1068 19.945,1069 9.977,1070 3.22,1071 1.053,1072 18.32,1073 2.871,1074 11.339,1075 13.225,1076 4.469,1077 22.204,1078 10.843,1079 2.942,1080 11.296,1081 20.14,1082 2.608,1083 12.521,1084 14.749,1085 5.119,1086 24.604,1087 11.968,1088 2.894,1089 9.552,1090 21.97,1091 4.057,1092 13.552,1093 15.932,1094 5.505,1095 26.94,1096 12.93,1097 2.74,1098 9.082,1099 23.81,1100 3.704,1101 14.696,1102 17.39,1103 6.093,1104 29.333,1105 14.012,1106 2.612,1107 8.657,1108 25.659,1109 3.61,1110 15.778,1111 18.65,1112 6.531,1113 31.707,1114 15.022,1115 2.447,1116 7.62,1117 27.514,1118 3.193,1119 16.909,1120 20.072,1121 7.084,1122 34.104,1123 16.088,1124 2.315,1125 6.961,1126 29.375,1127 3.088,1128 18.018,1129 21.379,1130 7.551,1131 36.497,1132 17.124,1133 37811,1134 55356,1135 34.789,1136 55.353,1137 75.112,1138 76.276,1139 76.081,1140 74.871,1141 74.854,1142 89.092,1143 12.046,1144 214.553,1145 70.939,1146 5.431,1147 5.562,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 13.761,1156 1.502,1157 1.526,1158 1.522,1159 1.497,1160 1.497,1161 1.782,1162 0.241,1163 4.291,1164 1.419,1165 4.056,1166 4.105,1167 4.004,1168 3.924,1169 7.431,1170 3.935,1171 3.957,1172 4.006,1173 3.894,1174 3.846,1175 5.072,1176 3.85,1177 3.902,1178 3.943,1179 3.824,1180 3.78,1181 4.766,1182 3.785,1183 3.826,1184 3.872,1185 3.726,1186 3.686,1187 4.697,1188 3.687,1189 3.76,1190 3.822,1191 3.649,1192 3.582,1193 4.626,1194 3.589,1195 3.581,1196 3.637,1197 3.511,1198 3.352,1199 4.591,1200 3.388,1201 3.427,1202 3.501,1203 3.347,1204 3.207,1205 4.349,1206 3.211,1207 3.336,1208 3.399,1209 3.163,1210 3.086,1211 4.075,1212 3.119,1213 0.089,1214 0.071,1215 0.136,1216 0.083,1217 0.064,1218 4.431,1219 0.081,1220 3.562,1221 0.033,1222 6.817,1223 0.226,1224 4.149,1225 0.06,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.942,1232 1.909,1233 2.052,1234 2.083,1235 1.368,1236 2.073,1237 1.918,1238 1.882,1239 2.038,1240 2.067,1241 1.322,1242 2.06,1243 1.815,1244 1.772,1245 1.987,1246 1.973,1247 1.255,1248 1.977,1249 1.729,1250 1.66,1251 1.928,1252 1.918,1253 1.197,1254 1.922,1255 1.678,1256 1.628,1257 1.86,1258 1.902,1259 1.101,1260 1.894,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.066,1266 1.798,1267 1.443,1268 1.39,1269 1.729,1270 1.704,1271 0.914,1272 1.681,1273 1.402,1274 1.317,1275 1.542,1276 1.637,1277 0.825,1278 1.653,1279 4.615,1281 5.943,1282 2.398,1283 7.468,1284 4.844,1285 9.078,1286 6.986,1287 10.731,1289 2.208,1295 12.214,1296 5.898,1297 11.422,1299 0.877,1300 7.214,1305 52.271,1306 130.962,1307 297.539,1308 401.175,1309 450.394,1310 461.904,1311 463.904,1312 70.466,1313 9.3,1314 107.98,1315 107.98,1316 41,1317 13.074,1318 4.322,1319 3.459,1320 60.633,1321 280,1322 332,1323 0.102,1324 312.633,1325 548.21,1326 754.585,1327 189304,1329 29.882,1330 0.679,1331 0.578,1332 29.882,1333 25.451,1334 21.624,1335 0.432,1336 0.322,1337 15.827,1338 20.665,1339 15.565,1340 12.732,1341 21.624,1342 16.083,1343 19.318,1344 0.276,1345 0.174,1346 19.318,1347 12.158,1348 16.88,1349 0.178,1350 0.099,1351 16.88,1352 9.409,1353 14.521,1354 0.114,1355 0.053,1356 14.521,1357 6.793,1358 12.015,1359 0.073,1360 0.028,1361 12.015,1362 4.649,1363 0.168,1364 136.048,1365 0.17,1366 39.591,1367 0.263,1368 240,1369 631.743,1370 266.261,1371 600.414,1372 837.79,1373 570,1374 285,1375 626.318,1376 312.124,1377 627.464,1378 930.49,1379 594,1380 6.241}
{0 CHEMBL1091353,1 1.51,2 18.4,3 4.306,4 18.544,5 172.099,6 6.886,7 0.353,8 4.589,9 4.722,10 4.104,11 4.071,12 5.551,13 4.051,14 5.203,15 5.397,16 4.485,17 4.504,18 6.138,19 4.456,20 5.5,21 5.74,22 4.536,23 4.695,24 6.343,25 4.606,26 5.551,27 5.811,28 4.469,29 4.684,30 6.412,31 4.566,32 5.518,33 5.796,34 4.452,35 4.615,36 6.433,37 4.51,38 5.358,39 5.603,40 4.431,41 4.572,42 6.23,43 4.488,44 5.328,45 5.535,46 4.466,47 4.652,48 6.227,49 4.56,50 5.523,51 5.754,52 4.432,53 4.748,54 6.382,55 4.601,56 0.042,57 1.379,58 20.689,59 7.851,60 10.19,61 11.367,62 0.594,63 2.276,64 41.105,65 13.462,66 47.727,67 19.832,68 0.674,69 2.839,70 56.654,71 17.315,72 53.46,73 26.812,74 0.534,75 2.874,76 59.766,77 18.829,78 64.58,79 29.4,80 0.875,81 2.707,82 59.194,83 17.05,84 93.807,85 27.267,86 0.53,87 2.475,88 48.964,89 15.45,90 53.267,91 23.733,92 0.569,93 2.532,94 46.003,95 16.516,96 47.67,97 24.32,98 0.465,99 2.792,100 56.427,101 22.543,102 62.773,103 32.05,104 11,105 72,106 0.225,107 0.514,108 0.7,109 0.775,110 0.795,111 0.798,112 3.832,113 0.969,114 -5.13,115 -5.02,116 -4.7,119 38.2,120 2,121 4,122 1,125 8,127 3,142 8,143 1,144 3,149 2,150 1,159 1,172 9,174 5,175 12,178 2,179 1,180 4,183 8,186 2,187 13,192 4,195 4,198 1,199 16,204 5,207 1,211 4,212 16,215 1,217 4,220 4,224 9,227 2,229 1,232 14,236 4,237 3,240 1,245 24,249 2,250 6,253 5,255 1,258 14,263 8,268 2,271 2,275 4682,276 30.98,277 30.98,278 30.98,279 30.98,280 30.98,281 28.818,282 49.773,283 18.207,284 31.851,285 25.229,286 25.229,287 25.229,288 25.229,289 25.229,290 21.843,291 75.078,292 8.691,293 26.644,294 4.966,295 3.025,296 1.773,297 1.27,298 1.141,299 1.118,300 4.555,306 1867,307 3.808,310 119.713,311 990.839,312 163.344,318 2.978,319 38.037,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 97,331 828,332 4.431,333 3.562,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.166,342 3.462,343 6.278,344 3.901,345 2.942,346 3.704,347 0.86,348 9.552,349 2.823,350 4.144,351 3.178,352 6.162,353 3.858,354 2.915,355 3.61,356 0.86,357 9.109,358 2.754,359 3.987,360 3.115,361 6.022,362 3.718,363 2.745,364 3.193,365 0.8,366 8.657,367 2.673,368 3.847,369 2.916,370 5.889,371 3.633,372 2.682,373 3.089,374 0.8,375 8.078,376 2.543,377 3.733,378 2.812,379 5.562,380 3.523,381 2.569,382 2.961,383 0.8,384 7.609,385 2.441,386 3.618,387 2.521,388 5.33,389 3.321,390 2.363,391 2.717,392 0.247,393 6.918,394 2.258,395 3.403,396 2.454,397 5.245,398 3.089,399 2.146,400 2.573,402 6.414,403 2.018,404 3.283,405 2.317,406 5.086,407 2.887,408 1.901,409 2.456,411 5.839,412 1.86,413 2.927,414 2.273,415 4.685,416 2.851,417 1.879,418 2.005,420 5.113,421 1.822,422 2.879,423 2.016,424 4.498,425 2.656,426 1.753,427 1.879,428 4.514,429 1.58,430 2.785,431 1.87,432 4.377,433 2.556,434 1.582,435 1.836,436 4.218,437 1.535,438 2.738,439 1.751,440 4.201,441 2.29,442 1.369,443 1.798,445 3.714,446 1.258,447 2.5,448 1.462,449 3.853,450 2.166,451 1.281,452 1.5,454 2.871,455 1.12,456 2.5,457 1.307,458 3.725,459 2.054,460 1.104,461 1.5,463 2.737,464 1.045,465 21.2,466 0.471,467 1.02,468 0.023,469 53,470 1.178,471 21.5,472 0.478,473 31.5,474 0.7,475 49.211,476 1.094,477 50.2,478 0.564,479 43.748,480 0.972,481 9.662,482 0.215,483 12.335,484 0.274,485 0.063,487 0.34,493 0.865,494 1.591,495 0.842,496 1.264,497 0.658,498 1.077,499 1.089,500 1.14,501 0.971,502 1.019,503 0.645,504 0.989,505 1.135,506 1.073,507 1.055,508 0.973,509 0.883,510 0.989,511 0.891,512 1.189,513 0.99,514 1.088,515 0.853,516 1.053,517 0.938,518 0.878,519 0.897,520 0.795,521 1.254,522 0.82,523 1.002,524 0.979,525 0.942,526 0.898,527 1.122,528 0.898,529 0.779,530 1.04,531 1.107,532 1.123,533 0.729,534 1.145,535 0.54,536 1.156,537 1.064,538 1.384,539 0.651,540 1.322,541 8.5,542 0.202,543 4.889,544 2.438,545 1.552,546 1.812,547 1.21,548 0.523,549 0.406,550 0.454,551 44650,552 93042,553 2.186,554 49.4,556 27,559 2,560 1,561 14,564 1.823,565 2.093,566 4.048,567 0.115,573 134.397,574 1.51,575 3.451,576 4.703,577 5.206,578 5.335,579 5.358,580 3.494,581 4.764,582 5.461,583 4.348,584 4304.67,585 9.65,586 86859.6,591 576.34,592 1.231,593 5.444,594 0.167,595 0.005,596 0.068,597 0.033,598 0.023,599 0.027,600 0.018,601 0.007,602 0.006,603 0.01,604 0.364,605 0.17,606 0.63,607 0.505,608 268.681,609 -0.013,610 -0.299,611 0.088,612 -0.113,614 -0.015,615 0.062,616 0.023,617 0.019,618 0.01,619 0.132,621 -0.12,622 0.004,623 -0.065,624 0.013,625 -0.04,626 -0.012,627 -0.041,628 -0.172,629 -0.016,630 -0.099,631 0.028,632 -0.061,633 0.041,634 0.121,635 0.105,636 0.143,637 0.015,638 0.139,639 -0.077,640 0.091,641 0.038,642 0.096,643 -0.06,644 0.089,645 0.022,646 0.114,647 -0.16,648 -0.057,649 -0.023,650 -0.118,651 0.148,652 -0.139,653 -0.134,654 -0.288,655 0.099,656 -0.26,657 1.951,658 5.833,659 0.844,660 68.583,661 0.997,662 1.136,663 3.897,664 15.186,665 0.642,666 3.951,667 4.29,668 4.585,669 4.868,670 5.124,671 5.252,672 5.442,673 5.58,674 5.733,675 5.9,676 10.77,677 0.604,678 612.86,679 3.951,680 5.509,681 6.372,682 7.255,683 8.13,684 9.018,685 9.9,686 10.792,687 11.678,688 12.573,689 9,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 89,733 19,734 2,735 51,737 95,738 34,739 15,740 4,741 8,746 7,747 8,751 1,752 2,755 6,756 1,758 7,761 16,762 18,763 1,766 1,771 1,775 1,781 44,782 11,783 2,784 11,790 8,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 2,848 45,854 12,855 2,856 2,858 4,859 3,870 3.4,873 1,874 2,877 21.5,878 16.2,879 9.694,880 5.799,881 3.45,882 1.368,883 0.985,884 9.29,885 12.821,886 4.127,887 4.649,888 5.155,889 5.694,890 6.231,891 6.503,892 6.943,893 7.314,894 7.63,895 8,896 0.917,897 74,898 16.766,900 7.243,901 7.515,902 33.095,904 28.377,905 2.015,906 90.667,910 494.386,911 152.677,912 95.751,914 47.145,917 152.677,918 541.531,919 95.751,920 17.65,921 72.952,922 75.81,923 97.501,924 25.485,925 6.175,926 494.386,928 494.386,929 248.428,930 47.145,933 334.247,934 189.94,935 22,937 95.626,938 97.79,939 50.357,941 494.386,942 142.896,943 152.677,946 494.386,947 59.217,948 102.833,949 36.022,950 97.501,951 494.386,952 142.896,953 152.677,955 0.585,956 0.341,957 0.185,958 0.101,959 36,960 15,961 0.074,962 7,963 2,964 1.079,965 5.549,966 475.652,967 0.105,968 37,969 223.133,974 30.52,975 13.697,976 7.008,978 142.896,979 15.79,980 14.931,984 5.78,986 36.022,987 789.959,988 61,993 12.833,997 -0.284,999 88.701,1000 101.088,1001 0.233,1002 0.533,1003 0.726,1004 0.804,1005 0.824,1006 0.827,1007 5.4,1008 2.146,1009 6.351,1010 6.918,1011 4.977,1012 5.338,1013 2.454,1014 7.159,1015 4.873,1016 6.558,1017 1.901,1018 7.904,1019 6.414,1020 4.511,1021 5.007,1022 1.494,1023 8.03,1024 4.362,1025 7.84,1026 1.879,1027 9.553,1028 5.839,1029 6.569,1030 7.365,1031 2.692,1032 11.129,1033 6.361,1034 9.149,1035 1.753,1036 11.262,1037 5.113,1038 6.929,1039 7.833,1040 2.41,1041 12.849,1042 6.667,1043 10.492,1044 1.582,1045 13.008,1046 4.514,1047 8.434,1048 9.691,1049 3.334,1050 15.451,1051 8.117,1052 11.855,1053 1.369,1054 14.781,1055 4.218,1056 9.182,1057 10.54,1058 3.427,1059 17.538,1060 8.803,1061 13.234,1062 1.281,1063 16.573,1064 3.714,1065 10.456,1066 12.175,1067 4.182,1068 19.978,1069 10.022,1070 3.22,1071 1.104,1072 18.381,1073 2.871,1074 11.394,1075 13.234,1076 4.469,1077 22.232,1078 10.893,1079 2.942,1080 11.296,1081 20.201,1082 2.737,1083 12.571,1084 14.754,1085 5.119,1086 24.627,1087 12.012,1088 2.915,1089 9.552,1090 22.031,1091 4.057,1092 13.603,1093 15.937,1094 5.505,1095 26.958,1096 12.975,1097 2.745,1098 9.109,1099 23.87,1100 3.704,1101 14.743,1102 17.394,1103 6.093,1104 29.347,1105 14.053,1106 2.682,1107 8.657,1108 25.716,1109 3.61,1110 15.823,1111 18.652,1112 6.531,1113 31.718,1114 15.062,1115 2.569,1116 8.078,1117 27.569,1118 3.193,1119 16.952,1120 20.074,1121 7.084,1122 34.113,1123 16.125,1124 2.363,1125 7.609,1126 29.427,1127 3.089,1128 18.058,1129 21.38,1130 7.551,1131 36.504,1132 17.158,1133 40416,1134 58671,1135 35.194,1136 57.114,1137 77.342,1138 78.45,1139 78.221,1140 76.89,1141 76.899,1142 91.135,1143 12.046,1144 221.562,1145 72.953,1146 5.431,1147 5.562,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 17.284,1156 1.517,1157 1.538,1158 1.534,1159 1.508,1160 1.508,1161 1.787,1162 0.236,1163 4.344,1164 1.43,1165 4.057,1166 4.106,1167 4.004,1168 3.925,1169 7.431,1170 3.936,1171 3.959,1172 4.009,1173 3.896,1174 3.847,1175 5.072,1176 3.851,1177 3.903,1178 3.944,1179 3.825,1180 3.78,1181 4.766,1182 3.786,1183 3.827,1184 3.874,1185 3.726,1186 3.686,1187 4.697,1188 3.687,1189 3.782,1190 3.839,1191 3.673,1192 3.618,1193 4.626,1194 3.622,1195 3.583,1196 3.641,1197 3.513,1198 3.355,1199 4.591,1200 3.39,1201 3.491,1202 3.568,1203 3.371,1204 3.312,1205 4.38,1206 3.304,1207 3.365,1208 3.414,1209 3.252,1210 3.095,1211 4.101,1212 3.143,1213 0.087,1214 0.07,1215 0.134,1216 0.081,1217 0.063,1218 4.431,1219 0.08,1220 3.562,1221 0.032,1222 6.817,1223 0.221,1224 4.149,1225 0.059,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.942,1232 1.91,1233 2.057,1234 2.084,1235 1.368,1236 2.076,1237 1.919,1238 1.883,1239 2.039,1240 2.07,1241 1.335,1242 2.061,1243 1.816,1244 1.772,1245 1.988,1246 1.975,1247 1.255,1248 1.978,1249 1.757,1250 1.692,1251 1.951,1252 1.928,1253 1.197,1254 1.937,1255 1.678,1256 1.628,1257 1.86,1258 1.905,1259 1.104,1260 1.894,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.091,1266 1.798,1267 1.496,1268 1.42,1269 1.783,1270 1.722,1271 0.982,1272 1.738,1273 1.438,1274 1.384,1275 1.542,1276 1.684,1277 0.825,1278 1.659,1279 4.635,1281 5.969,1282 2.398,1283 7.496,1284 4.844,1285 9.107,1286 6.986,1287 10.761,1289 4.499,1295 11.067,1296 5.908,1297 11.428,1299 1.453,1300 7.262,1305 53.798,1306 134.397,1307 307.102,1308 418.566,1309 463.321,1310 474.831,1311 476.831,1312 73.963,1313 9.37,1314 107.98,1315 107.98,1316 41,1317 13.1,1318 4.322,1319 3.459,1320 62.724,1321 296,1322 318,1323 0.101,1324 322.225,1325 565.51,1326 777.99,1327 207167,1329 30.752,1330 0.683,1331 0.585,1332 30.752,1333 26.322,1334 21.996,1335 0.431,1336 0.323,1337 16.219,1338 21.042,1339 15.884,1340 13.029,1341 21.996,1342 16.473,1343 20.048,1344 0.278,1345 0.179,1346 20.048,1347 12.854,1348 17.171,1349 0.177,1350 0.099,1351 17.171,1352 9.635,1353 14.737,1354 0.114,1355 0.054,1356 14.737,1357 6.967,1358 12.109,1359 0.073,1360 0.028,1361 12.109,1362 4.708,1363 0.165,1364 138.246,1365 0.169,1366 40.345,1367 0.258,1368 246,1369 637.743,1370 272.594,1371 607.222,1372 847.79,1373 576,1374 292,1375 635.67,1376 319.291,1377 637.629,1378 944.06,1379 603,1380 6.18}
{0 CHEMBL1091354,1 1.51,2 18.4,3 3.734,4 13.939,5 172.334,6 6.886,7 0.353,8 4.589,9 4.722,10 4.104,11 4.071,12 5.554,13 4.051,14 5.203,15 5.398,16 4.481,17 4.509,18 6.133,19 4.46,20 5.497,21 5.733,22 4.538,23 4.702,24 6.341,25 4.611,26 5.57,27 5.839,28 4.469,29 4.684,30 6.425,31 4.565,32 5.502,33 5.776,34 4.449,35 4.614,36 6.424,37 4.511,38 5.361,39 5.605,40 4.432,41 4.579,42 6.232,43 4.492,44 5.337,45 5.547,46 4.468,47 4.652,48 6.234,49 4.559,50 5.52,51 5.753,52 4.431,53 4.741,54 6.38,55 4.596,56 0.042,57 1.379,58 20.689,59 7.851,60 10.481,61 11.367,62 0.611,63 2.273,64 41.126,65 13.528,66 47.257,67 19.858,68 0.591,69 2.842,70 56.147,71 17.662,72 52.346,73 27.19,74 0.622,75 2.903,76 61.428,77 18.816,78 67.129,79 29.608,80 0.854,81 2.683,82 58.084,83 16.989,84 92.331,85 26.98,86 0.513,87 2.482,88 49.01,89 15.722,90 53.373,91 24.033,92 0.575,93 2.545,94 46.553,95 16.53,96 48.448,97 24.457,98 0.457,99 2.785,100 56.353,101 22.155,102 62.411,103 31.692,104 11,105 72,106 0.225,107 0.511,108 0.695,109 0.775,110 0.795,111 0.798,112 3.832,113 0.965,114 -5.13,115 -5.02,116 -4.7,119 38.2,121 6,122 1,124 2,125 6,127 3,142 8,143 1,144 3,149 2,150 1,159 1,172 9,174 5,175 14,178 2,179 1,180 4,183 8,186 1,187 13,192 4,195 4,198 2,199 16,204 5,207 5,211 4,212 12,215 1,217 4,220 8,224 9,227 2,229 1,232 14,236 4,237 5,240 1,242 2,245 20,249 2,250 6,253 4,255 1,258 10,263 10,266 1,268 4,271 2,275 4682,276 30.98,277 30.98,278 30.98,279 30.98,280 30.98,281 28.818,282 50.699,283 18.207,284 31.83,285 25.229,286 25.229,287 25.229,288 25.229,289 25.229,290 21.843,291 78.614,292 8.691,293 26.608,294 4.966,295 3.042,296 1.807,297 1.27,298 1.141,299 1.118,300 4.555,306 1867,307 3.808,310 119.713,311 990.839,312 163.344,318 2.978,319 37.354,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 97,331 828,332 4.431,333 3.562,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.166,342 3.462,343 6.278,344 3.901,345 2.942,346 3.704,347 0.86,348 9.552,349 2.823,350 4.144,351 3.146,352 6.162,353 3.864,354 2.915,355 3.61,356 0.86,357 9.109,358 2.769,359 3.987,360 3.115,361 6.022,362 3.719,363 2.745,364 3.193,365 0.8,366 8.657,367 2.674,368 3.847,369 2.899,370 5.889,371 3.641,372 2.682,373 3.089,374 0.8,375 8.078,376 2.57,377 3.733,378 2.812,379 5.562,380 3.523,381 2.569,382 2.961,383 0.8,384 7.609,385 2.445,386 3.618,387 2.523,388 5.33,389 3.32,390 2.363,391 2.717,392 0.247,393 6.918,394 2.255,395 3.403,396 2.456,397 5.245,398 3.088,399 2.146,400 2.573,402 6.414,403 2.017,404 3.283,405 2.318,406 5.086,407 2.886,408 1.901,409 2.456,411 5.839,412 1.857,413 2.927,414 2.273,415 4.685,416 2.851,417 1.879,418 2.005,420 5.113,421 1.822,422 2.879,423 2.016,424 4.498,425 2.656,426 1.753,427 1.879,428 4.514,429 1.579,430 2.785,431 1.87,432 4.377,433 2.543,434 1.582,435 1.836,436 4.218,437 1.513,438 2.738,439 1.788,440 4.201,441 2.29,442 1.369,443 1.798,445 3.714,446 1.258,447 2.5,448 1.462,449 3.853,450 2.166,451 1.281,452 1.5,454 2.871,455 1.12,456 2.5,457 1.322,458 3.725,459 2.05,460 1.104,461 1.5,463 2.737,464 1.041,465 21.2,466 0.471,467 1.02,468 0.023,469 53,470 1.178,471 21.5,472 0.478,473 31.5,474 0.7,475 48.706,476 1.082,477 50.2,478 0.564,479 44.254,480 0.983,481 9.725,482 0.216,483 12.271,484 0.273,485 0.063,487 0.34,493 0.865,494 1.591,495 0.842,496 1.264,497 0.648,498 1.077,499 1.103,500 1.083,501 0.978,502 0.988,503 0.65,504 0.972,505 1.086,506 1.168,507 1.053,508 1.049,509 0.876,510 1.041,511 0.915,512 1.105,513 0.978,514 1.017,515 0.847,516 1,517 0.935,518 0.884,519 0.909,520 0.812,521 1.275,522 0.837,523 0.971,524 0.997,525 0.94,526 0.923,527 1.116,528 0.916,529 0.779,530 1.047,531 1.097,532 1.116,533 0.719,534 1.135,535 0.577,536 1.169,537 1.068,538 1.372,539 0.658,540 1.311,541 8.5,542 0.202,543 4.889,544 2.438,545 1.552,546 1.812,547 1.21,548 0.523,549 0.406,550 0.454,551 44650,552 93318,553 2.186,554 49.4,556 29,559 2,560 1,561 8,562 4,564 1.823,565 2.093,566 4.048,567 0.115,573 134.397,574 1.51,575 3.434,576 4.669,577 5.206,578 5.335,579 5.358,580 3.494,581 4.764,582 5.461,583 4.348,584 4304.67,585 9.65,586 86859.6,591 576.34,592 1.231,593 5.444,594 0.167,595 0.005,596 0.068,597 0.033,598 0.023,599 0.027,600 0.018,601 0.007,602 0.006,603 0.01,604 0.364,605 0.17,606 0.63,607 0.505,608 268.681,609 -0.013,610 -0.299,611 0.088,612 -0.113,613 0.01,614 -0.015,615 0.048,616 0.08,617 0.012,618 0.042,619 0.125,620 0.017,621 -0.109,622 -0.093,623 -0.071,624 -0.046,625 -0.036,626 -0.052,627 -0.04,628 -0.096,629 0.005,630 -0.046,631 0.028,632 -0.018,633 0.039,634 0.122,635 0.091,636 0.134,637 0.007,638 0.126,639 -0.066,640 0.07,641 0.037,642 0.079,643 -0.058,644 0.077,645 0.026,646 0.101,647 -0.148,648 -0.056,649 -0.015,650 -0.112,651 0.126,652 -0.15,653 -0.134,654 -0.282,655 0.094,656 -0.253,657 1.95,658 5.834,659 0.844,660 68.583,661 0.997,662 1.136,663 3.897,664 15.186,665 0.642,666 3.951,667 4.29,668 4.585,669 4.868,670 5.124,671 5.252,672 5.442,673 5.58,674 5.733,675 5.9,676 10.77,677 0.604,678 612.86,679 3.951,680 5.509,681 6.372,682 7.255,683 8.13,684 9.018,685 9.9,686 10.792,687 11.678,688 12.573,689 9,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 89,733 19,734 2,735 51,737 95,738 34,739 15,740 4,741 8,746 7,747 8,751 1,755 9,756 1,758 9,761 16,762 18,763 1,766 1,771 1,775 1,781 44,782 11,783 2,784 11,790 8,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 2,848 45,854 12,855 2,856 2,858 4,859 3,870 3.4,873 1,874 2,877 21.5,878 16.2,879 9.694,880 5.665,881 3.45,882 1.368,883 0.985,884 9.29,885 12.821,886 4.127,887 4.649,888 5.155,889 5.694,890 6.231,891 6.503,892 6.943,893 7.314,894 7.63,895 8,896 0.917,897 74,898 16.764,900 7.243,901 7.515,902 33.095,904 28.411,905 2.015,906 90.667,910 494.386,911 152.677,912 95.751,914 47.145,917 152.677,918 541.531,919 95.751,920 16.793,921 73.81,922 75.81,923 97.501,924 25.485,925 6.175,926 494.386,928 494.386,929 248.428,930 47.145,933 357.789,934 166.398,935 22,937 78.833,938 114.583,939 50.357,941 494.386,942 142.896,943 152.677,946 494.386,947 60.075,948 101.976,949 36.022,950 97.501,951 494.386,952 142.896,953 152.677,955 0.585,956 0.341,957 0.185,958 0.101,959 36,960 15,961 0.074,962 7,963 2,964 1.079,965 5.549,966 475.652,967 0.105,968 37,969 219.133,974 30.52,975 13.697,976 7.008,978 142.896,979 15.808,980 14.931,984 5.792,986 36.022,987 789.959,988 61,993 12.834,997 -0.283,999 88.701,1000 101.088,1001 0.233,1002 0.53,1003 0.721,1004 0.804,1005 0.824,1006 0.827,1007 5.4,1008 2.146,1009 6.351,1010 6.918,1011 4.977,1012 5.338,1013 2.454,1014 7.159,1015 4.876,1016 6.558,1017 1.901,1018 7.904,1019 6.414,1020 4.511,1021 5.007,1022 1.494,1023 8.03,1024 4.362,1025 7.84,1026 1.879,1027 9.553,1028 5.839,1029 6.569,1030 7.365,1031 2.692,1032 11.129,1033 6.37,1034 9.149,1035 1.753,1036 11.262,1037 5.113,1038 6.929,1039 7.833,1040 2.41,1041 12.849,1042 6.673,1043 10.492,1044 1.582,1045 13.008,1046 4.514,1047 8.434,1048 9.691,1049 3.334,1050 15.451,1051 8.131,1052 11.855,1053 1.369,1054 14.781,1055 4.218,1056 9.182,1057 10.54,1058 3.427,1059 17.538,1060 8.815,1061 13.234,1062 1.281,1063 16.573,1064 3.714,1065 10.456,1066 12.175,1067 4.182,1068 19.978,1069 10.038,1070 3.22,1071 1.104,1072 18.381,1073 2.871,1074 11.394,1075 13.234,1076 4.469,1077 22.232,1078 10.909,1079 2.942,1080 11.296,1081 20.201,1082 2.737,1083 12.571,1084 14.754,1085 5.119,1086 24.627,1087 12.031,1088 2.915,1089 9.552,1090 22.031,1091 4.057,1092 13.603,1093 15.937,1094 5.505,1095 26.958,1096 12.993,1097 2.745,1098 9.109,1099 23.87,1100 3.704,1101 14.743,1102 17.394,1103 6.093,1104 29.347,1105 14.072,1106 2.682,1107 8.657,1108 25.716,1109 3.61,1110 15.823,1111 18.652,1112 6.531,1113 31.718,1114 15.081,1115 2.569,1116 8.078,1117 27.569,1118 3.193,1119 16.952,1120 20.074,1121 7.084,1122 34.113,1123 16.145,1124 2.363,1125 7.609,1126 29.427,1127 3.089,1128 18.058,1129 21.38,1130 7.551,1131 36.504,1132 17.178,1133 40416,1134 58745,1135 35.194,1136 57.114,1137 77.342,1138 78.328,1139 78.221,1140 76.915,1141 76.899,1142 91.135,1143 12.046,1144 221.562,1145 73.016,1146 5.431,1147 5.562,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 17.284,1156 1.517,1157 1.536,1158 1.534,1159 1.508,1160 1.508,1161 1.787,1162 0.236,1163 4.344,1164 1.432,1165 4.058,1166 4.107,1167 4.005,1168 3.927,1169 7.431,1170 3.937,1171 3.963,1172 4.012,1173 3.898,1174 3.852,1175 5.072,1176 3.856,1177 3.903,1178 3.944,1179 3.825,1180 3.78,1181 4.766,1182 3.786,1183 3.828,1184 3.875,1185 3.727,1186 3.686,1187 4.697,1188 3.688,1189 3.788,1190 3.841,1191 3.681,1192 3.654,1193 4.626,1194 3.652,1195 3.582,1196 3.639,1197 3.512,1198 3.352,1199 4.591,1200 3.389,1201 3.455,1202 3.542,1203 3.361,1204 3.198,1205 4.382,1206 3.219,1207 3.357,1208 3.412,1209 3.226,1210 3.088,1211 4.123,1212 3.125,1213 0.087,1214 0.07,1215 0.134,1216 0.081,1217 0.063,1218 4.431,1219 0.08,1220 3.562,1221 0.032,1222 6.817,1223 0.221,1224 4.149,1225 0.059,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.944,1232 1.91,1233 2.077,1234 2.085,1235 1.418,1236 2.083,1237 1.927,1238 1.889,1239 2.039,1240 2.073,1241 1.368,1242 2.063,1243 1.816,1244 1.773,1245 1.988,1246 1.976,1247 1.255,1248 1.979,1249 1.777,1250 1.722,1251 1.947,1252 1.928,1253 1.197,1254 1.937,1255 1.678,1256 1.628,1257 1.86,1258 1.905,1259 1.102,1260 1.894,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.074,1266 1.798,1267 1.442,1268 1.39,1269 1.718,1270 1.711,1271 0.825,1272 1.702,1273 1.403,1274 1.308,1275 1.542,1276 1.672,1277 0.825,1278 1.658,1279 4.635,1281 5.969,1282 2.398,1283 7.496,1284 4.844,1285 9.107,1286 6.986,1287 10.761,1289 4.314,1295 11.318,1296 5.911,1297 11.428,1299 1.521,1300 7.092,1305 53.798,1306 134.397,1307 305.592,1308 415.546,1309 463.321,1310 474.831,1311 476.831,1312 74.726,1313 9.37,1314 107.98,1315 107.98,1316 41,1317 13.1,1318 4.322,1319 3.459,1320 62.724,1321 296,1322 318,1323 0.101,1324 322.225,1325 565.51,1326 777.99,1327 207167,1329 30.752,1330 0.683,1331 0.585,1332 30.752,1333 26.322,1334 21.996,1335 0.431,1336 0.322,1337 16.134,1338 21.035,1339 15.797,1340 12.971,1341 21.996,1342 16.397,1343 20.048,1344 0.278,1345 0.179,1346 20.048,1347 12.919,1348 17.171,1349 0.177,1350 0.101,1351 17.171,1352 9.785,1353 14.737,1354 0.114,1355 0.055,1356 14.737,1357 7.111,1358 12.109,1359 0.073,1360 0.029,1361 12.109,1362 4.849,1363 0.165,1364 138.416,1365 0.169,1366 40.345,1367 0.258,1368 246,1369 637.743,1370 271.928,1371 608.009,1372 846.11,1373 576,1374 292,1375 630.965,1376 318.902,1377 636.097,1378 938.94,1379 599,1380 6.418}
{0 CHEMBL1091355,1 1.57,2 18.356,3 2.832,4 8.019,5 166.878,6 7.21,7 0.353,8 4.554,9 4.68,10 4.103,11 4.035,12 5.563,13 4.027,14 5.16,15 5.346,16 4.484,17 4.468,18 6.152,19 4.433,20 5.447,21 5.673,22 4.541,23 4.649,24 6.372,25 4.574,26 5.5,27 5.755,28 4.472,29 4.587,30 6.479,31 4.501,32 5.374,33 5.624,34 4.462,35 4.506,36 6.434,37 4.452,38 5.232,39 5.423,40 4.461,41 4.558,42 6.234,43 4.493,44 5.379,45 5.594,46 4.463,47 4.656,48 6.3,49 4.561,50 5.494,51 5.727,52 4.424,53 4.696,54 6.44,55 4.556,56 0.042,57 1.328,58 18.634,59 7.375,60 9.598,61 10.305,62 0.665,63 2.183,64 38.019,65 12.692,66 49.097,67 18.065,68 0.638,69 2.692,70 52.47,71 16.746,72 59.242,73 24.912,74 0.713,75 2.667,76 57.561,77 16.881,78 91.737,79 25.933,80 1.031,81 2.41,82 51.131,83 13.579,84 109.041,85 21.169,86 0.452,87 2.337,88 40.184,89 14.55,90 51.986,91 20.736,92 0.593,93 2.567,94 47.851,95 17.175,96 61.769,97 24.837,98 0.703,99 2.685,100 54.609,101 21.378,102 101.207,103 30.414,104 10,105 72,106 0.235,107 0.537,108 0.712,109 0.779,110 0.794,111 0.804,112 3.832,113 0.939,114 -4.56,115 -4.48,116 -4.22,119 38.8,121 4,122 1,124 1,125 8,127 2,142 8,143 2,144 2,149 2,150 1,158 1,159 1,172 11,174 6,175 10,178 2,179 1,180 4,183 9,186 2,187 15,192 4,195 4,198 1,199 20,204 6,207 1,211 5,212 13,217 4,220 4,224 10,227 4,229 2,232 14,236 3,237 5,245 20,249 4,250 6,253 6,255 1,258 12,263 6,266 1,268 2,271 4,275 4632,276 30.98,277 30.98,278 30.98,279 30.98,280 30.98,281 28.726,282 45.068,283 18.214,284 31.819,285 25.218,286 25.218,287 25.218,288 25.218,289 25.218,290 21.624,291 63.92,292 8.719,293 26.545,294 4.839,295 2.823,296 1.656,297 1.209,298 1.115,299 1.044,300 4.554,306 1865,307 3.808,310 119.679,311 994.812,312 163.271,318 2.938,319 46.452,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 98,331 826,332 4.431,333 3.695,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.267,342 3.562,343 6.393,344 3.965,345 2.984,346 3.802,347 1.2,348 9.676,349 2.928,350 4.154,351 3.462,352 6.278,353 3.901,354 2.942,355 3.612,356 0.86,357 9.552,358 2.822,359 3.994,360 3.115,361 6.022,362 3.719,363 2.744,364 3.23,365 0.86,366 8.657,367 2.675,368 3.892,369 2.813,370 5.578,371 3.596,372 2.632,373 3.17,374 0.8,375 7.653,376 2.529,377 3.723,378 2.773,379 5.387,380 3.42,381 2.465,382 3.024,383 0.8,384 7.037,385 2.351,386 3.498,387 2.573,388 5.264,389 3.281,390 2.331,391 2.656,392 0.293,393 6.519,394 2.206,395 3.391,396 2.479,397 5.212,398 3.093,399 2.15,400 2.521,401 0.247,402 6.394,403 2.023,404 3.292,405 2.32,406 5.086,407 2.937,408 1.978,409 2.43,411 5.839,412 1.891,413 3.036,414 2.273,415 4.916,416 2.851,417 1.879,418 2.113,420 5.618,421 1.822,422 2.926,423 2.157,424 4.643,425 2.741,426 1.779,427 2.001,428 4.956,429 1.701,430 2.879,431 2.016,432 4.489,433 2.654,434 1.742,435 1.879,436 4.493,437 1.577,438 2.743,439 1.871,440 4.203,441 2.291,442 1.37,443 1.82,445 3.721,446 1.259,447 2.5,448 1.862,449 3.853,450 2.166,451 1.281,452 1.5,454 2.871,455 1.12,456 2.5,457 1.462,458 3.676,459 2,460 1.054,461 1.5,463 2.608,464 1,465 21.033,466 0.467,467 1.02,468 0.023,469 54.25,470 1.206,471 22.5,472 0.5,473 31.75,474 0.706,475 46.274,476 1.028,477 49.767,478 0.585,479 47.058,480 1.046,481 10.242,482 0.228,483 11.754,484 0.261,485 0.055,487 0.342,493 0.813,494 1.58,495 0.792,496 1.245,497 0.573,498 1.044,499 1.003,500 1.054,501 0.954,502 0.971,503 0.595,504 0.958,505 1.021,506 1.144,507 1.021,508 1.055,509 0.821,510 1.034,511 1.086,512 1.139,513 0.97,514 0.997,515 1.2,516 0.964,517 1.224,518 0.794,519 0.96,520 0.66,521 1.553,522 0.731,523 0.869,524 1.159,525 1.055,526 1.156,527 0.957,528 1.134,529 0.804,530 1.057,531 1.085,532 1.125,533 0.828,534 1.141,535 0.436,536 1.092,537 1.017,538 1.327,539 0.396,540 1.289,541 8.5,542 0.214,543 4.889,544 2.688,545 1.792,546 1.687,547 1.169,548 0.571,549 0.378,550 0.449,551 44486,552 102859,553 2.186,554 47.1,556 29,559 2,560 1,561 8,564 1.823,565 2.093,566 4.047,567 0.137,573 133.456,574 1.57,575 3.586,576 4.753,577 5.201,578 5.295,579 5.365,580 3.48,581 4.808,582 5.462,583 4.329,584 4286.2,585 9.653,586 86211.5,591 544.798,592 1.231,593 5.444,594 0.167,595 0.005,596 0.068,597 0.036,598 0.027,599 0.024,600 0.017,601 0.008,602 0.006,603 0.01,604 0.368,605 0.17,606 0.63,607 0.383,608 268.363,609 -0.033,610 -0.306,611 0.081,612 -0.117,613 -0.002,614 -0.017,615 0.047,616 0.104,617 0.001,618 0.046,619 0.082,620 0.012,621 -0.089,622 -0.082,623 -0.056,624 -0.055,625 -0.011,626 -0.049,627 -0.09,628 -0.151,629 0.029,630 -0.038,631 -0.031,632 0.008,633 -0.077,634 0.247,635 0.06,636 0.257,637 -0.105,638 0.2,639 -0.05,640 -0.011,641 -0.134,642 -0.099,643 -0.064,644 -0.126,645 -0.037,646 0.029,647 -0.156,648 -0.075,649 -0.068,650 -0.123,651 0.237,652 -0.098,653 -0.09,654 -0.252,655 0.229,656 -0.235,657 2.034,658 5.824,659 0.844,660 67.443,661 1.003,662 1.135,663 3.33,664 11.09,665 0.648,666 3.951,667 4.29,668 4.585,669 4.868,670 5.124,671 5.231,672 5.407,673 5.565,674 5.707,675 5.866,676 10.666,677 0.617,678 612.81,679 3.951,680 5.509,681 6.372,682 7.255,683 8.13,684 9.018,685 9.9,686 10.792,687 11.678,688 12.573,689 9.4,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,731 85,733 20,734 2,735 51,737 91,738 33,739 15,740 4,741 8,742 1,746 7,747 8,751 1,755 6,756 1,758 6,761 17,762 16,763 1,766 2,771 2,775 2,781 40,782 12,783 2,784 12,790 8,794 0.857,795 4,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 1,848 45,854 12,855 2,856 2,858 3,859 3,870 4.7,873 2,874 2,877 21.5,878 15.283,879 9.694,880 5.369,881 3.478,882 1.374,883 0.991,884 9.061,885 12.78,886 4.143,887 4.668,888 5.183,889 5.716,890 6.248,891 6.525,892 6.952,893 7.317,894 7.615,895 7.985,896 0.917,897 74,898 16.788,900 7.328,901 7.633,902 32.675,904 27.932,905 2.133,906 96,910 447.302,911 148.557,912 95.751,914 72.29,917 148.557,918 519.592,919 95.751,920 8.396,921 76.076,922 75.81,923 127.351,924 22.789,925 6.175,926 447.302,928 447.302,929 244.308,930 72.29,933 357.789,934 144.459,935 22,937 81.1,938 108.196,939 50.357,941 447.302,942 168.041,943 148.557,946 447.302,947 64.351,948 93.579,949 36.022,950 122.646,951 447.302,952 168.041,953 148.557,955 0.585,956 0.342,957 0.186,958 0.103,959 36,960 15,961 0.066,962 6,963 2,964 1.079,965 5.539,966 476.481,967 0.105,968 37,969 225.133,974 30.213,975 13.495,976 6.884,978 168.041,979 14.563,980 14.867,984 4.91,986 36.022,987 763.899,988 62,993 25.603,997 -0.352,999 85.261,1000 96.467,1001 0.245,1002 0.56,1003 0.742,1004 0.811,1005 0.826,1006 0.837,1007 5.414,1008 2.15,1009 6.351,1010 6.519,1011 4.977,1012 5.357,1013 2.607,1014 7.159,1015 4.882,1016 6.576,1017 1.978,1018 7.904,1019 6.394,1020 4.511,1021 5.047,1022 1.494,1023 8.026,1024 4.384,1025 7.861,1026 1.879,1027 9.553,1028 5.839,1029 6.569,1030 7.397,1031 2.881,1032 11.135,1033 6.385,1034 9.175,1035 1.779,1036 11.262,1037 5.618,1038 6.929,1039 7.891,1040 2.464,1041 12.855,1042 6.711,1043 10.521,1044 1.742,1045 13.009,1046 4.956,1047 8.434,1048 9.737,1049 3.481,1050 15.473,1051 8.162,1052 11.889,1053 1.37,1054 14.784,1055 4.493,1056 9.185,1057 10.611,1058 3.475,1059 17.563,1060 8.871,1061 13.274,1062 1.281,1063 16.579,1064 3.721,1065 10.46,1066 12.236,1067 4.272,1068 20.016,1069 10.094,1070 3.22,1071 1.054,1072 18.39,1073 2.871,1074 11.404,1075 13.315,1076 4.501,1077 22.273,1078 10.989,1079 2.984,1080 11.296,1081 20.215,1082 2.608,1083 12.583,1084 14.826,1085 5.168,1086 24.675,1087 12.116,1088 2.942,1089 9.676,1090 22.05,1091 4.057,1092 13.622,1093 16.023,1094 5.524,1095 27.007,1096 13.1,1097 2.744,1098 9.552,1099 23.894,1100 3.802,1101 14.765,1102 17.474,1103 6.119,1104 29.398,1105 14.188,1106 2.632,1107 8.657,1108 25.746,1109 3.612,1110 15.851,1111 18.742,1112 6.542,1113 31.766,1114 15.215,1115 2.465,1116 7.653,1117 27.605,1118 3.23,1119 16.983,1120 20.16,1121 7.097,1122 34.16,1123 16.289,1124 2.331,1125 7.037,1126 29.469,1127 3.17,1128 18.093,1129 21.472,1130 7.557,1131 36.548,1132 17.338,1133 40182,1134 61314,1135 35.194,1136 55.046,1137 77.371,1138 79.162,1139 78.358,1140 76.754,1141 76.733,1142 92,1143 13.432,1144 221.201,1145 73.078,1146 5.431,1147 5.695,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 16.948,1156 1.517,1157 1.552,1158 1.536,1159 1.505,1160 1.505,1161 1.804,1162 0.263,1163 4.337,1164 1.433,1165 4.056,1166 4.103,1167 4.004,1168 3.925,1169 7.432,1170 3.936,1171 3.955,1172 3.995,1173 3.901,1174 3.853,1175 7.427,1176 3.858,1177 3.902,1178 3.942,1179 3.825,1180 3.78,1181 5.071,1182 3.785,1183 3.827,1184 3.876,1185 3.726,1186 3.686,1187 4.734,1188 3.687,1189 3.789,1190 3.851,1191 3.681,1192 3.598,1193 4.693,1194 3.609,1195 3.583,1196 3.638,1197 3.515,1198 3.353,1199 4.626,1200 3.39,1201 3.428,1202 3.473,1203 3.373,1204 3.165,1205 4.59,1206 3.212,1207 3.266,1208 3.337,1209 3.176,1210 2.995,1211 4.363,1212 3.03,1213 0.087,1214 0.072,1215 0.134,1216 0.081,1217 0.063,1218 4.431,1219 0.08,1220 3.695,1221 0.032,1222 6.817,1223 0.221,1224 4.149,1225 0.059,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.941,1232 1.911,1233 2.041,1234 2.082,1235 1.368,1236 2.067,1237 1.915,1238 1.888,1239 2.027,1240 2.054,1241 1.287,1242 2.047,1243 1.815,1244 1.772,1245 1.986,1246 1.978,1247 1.255,1248 1.979,1249 1.748,1250 1.677,1251 1.95,1252 1.939,1253 1.197,1254 1.948,1255 1.678,1256 1.628,1257 1.86,1258 1.906,1259 1.102,1260 1.895,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.081,1266 1.798,1267 1.442,1268 1.39,1269 1.556,1270 1.704,1271 0.825,1272 1.664,1273 1.294,1274 1.246,1275 1.541,1276 1.584,1277 0.825,1278 1.554,1279 4.635,1281 5.969,1282 2.398,1283 7.496,1284 4.844,1285 9.107,1286 6.986,1287 10.761,1289 2.061,1295 9.962,1296 5.739,1297 11.402,1299 0.821,1300 6.423,1305 52.459,1306 133.456,1307 304.837,1308 404.043,1309 442.043,1310 450.043,1311 456.043,1312 81.765,1313 9.302,1314 125.05,1315 125.05,1316 41,1317 13.1,1318 4.392,1319 3.585,1320 62.696,1321 294,1322 322,1323 0.101,1324 313.702,1325 554.36,1326 757.193,1327 190923,1329 30.752,1330 0.683,1331 0.57,1332 30.752,1333 25.652,1334 21.996,1335 0.431,1336 0.313,1337 15.687,1338 20.977,1339 15.419,1340 12.614,1341 21.996,1342 15.961,1343 20.008,1344 0.278,1345 0.172,1346 20.008,1347 12.363,1348 17.293,1349 0.178,1350 0.096,1351 17.293,1352 9.28,1353 14.704,1354 0.114,1355 0.051,1356 14.704,1357 6.603,1358 12.179,1359 0.073,1360 0.028,1361 12.179,1362 4.615,1363 0.166,1364 138.946,1365 0.169,1366 40.303,1367 0.26,1368 246,1369 691.479,1370 274.142,1371 654.843,1372 900.93,1373 618,1374 292,1375 662.602,1376 321.284,1377 665.543,1378 984.8,1379 627,1380 7.102}
{0 CHEMBL1091356,1 1.544,2 19.17,3 3.558,4 12.66,5 176.044,6 7.043,7 0.34,8 4.613,9 4.742,10 4.141,11 4.095,12 5.606,13 4.08,14 5.223,15 5.413,16 4.526,17 4.527,18 6.196,19 4.485,20 5.52,21 5.754,22 4.591,23 4.714,24 6.424,25 4.636,26 5.579,27 5.831,28 4.531,29 4.686,30 6.535,31 4.589,32 5.517,33 5.781,34 4.506,35 4.617,36 6.515,37 4.535,38 5.371,39 5.6,40 4.49,41 4.621,42 6.298,43 4.54,44 5.406,45 5.617,46 4.516,47 4.694,48 6.344,49 4.603,50 5.547,51 5.775,52 4.481,53 4.748,54 6.526,55 4.613,56 0.021,57 1.405,58 20.508,59 8.032,60 10.701,61 11.38,62 0.63,63 2.314,64 41.266,65 13.784,66 51.334,67 19.94,68 0.659,69 2.882,70 57.346,71 17.804,72 62.337,73 27.006,74 0.648,75 2.899,76 61.944,77 18.786,78 91.822,79 28.858,80 1.02,81 2.707,82 59.419,83 16.459,84 115.278,85 25.949,86 0.556,87 2.548,88 48.71,89 16.318,90 60.666,91 24.244,92 0.514,93 2.652,94 49.509,95 17.829,96 59.447,97 25.926,98 0.781,99 2.808,100 58.353,101 22.323,102 118.781,103 31.559,104 18,105 75,106 0.229,107 0.523,108 0.709,109 0.776,110 0.789,111 0.798,112 3.874,113 0.958,114 -4.92,115 -4.83,116 -4.53,119 38.5,120 2,121 4,122 1,125 8,127 3,142 8,143 2,144 2,149 2,150 1,158 1,159 1,172 11,174 6,175 12,178 2,179 1,180 4,183 10,186 2,187 15,192 4,195 4,198 1,199 20,204 6,207 1,211 5,212 15,217 4,220 4,224 10,227 4,229 2,232 14,236 3,237 7,245 22,249 4,250 6,253 6,255 1,258 16,263 6,266 1,268 2,271 8,275 5235,276 32.187,277 32.187,278 32.187,279 32.187,280 32.187,281 29.933,282 48.23,283 18.85,284 33.038,285 26.186,286 26.186,287 26.186,288 26.186,289 26.186,290 22.591,291 69.955,292 8.978,293 27.538,294 4.964,295 2.972,296 1.717,297 1.269,298 1.181,299 1.115,300 4.594,306 2022,307 4.183,310 127.714,311 1054.7,312 174.202,318 3.096,319 47.942,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 102,331 901,332 4.431,333 3.696,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.268,342 3.562,343 6.396,344 3.971,345 2.994,346 3.802,347 1.2,348 9.685,349 2.93,350 4.154,351 3.462,352 6.278,353 3.901,354 2.942,355 3.612,356 0.86,357 9.552,358 2.822,359 3.994,360 3.115,361 6.022,362 3.72,363 2.749,364 3.231,365 0.86,366 8.657,367 2.675,368 3.898,369 3.028,370 5.913,371 3.663,372 2.713,373 3.171,374 0.8,375 8.149,376 2.565,377 3.756,378 2.812,379 5.576,380 3.567,381 2.605,382 3.025,383 0.8,384 7.643,385 2.493,386 3.681,387 2.583,388 5.37,389 3.369,390 2.406,391 2.755,392 0.293,393 7.002,394 2.314,395 3.44,396 2.481,397 5.254,398 3.116,399 2.167,400 2.617,401 0.247,402 6.427,403 2.053,404 3.324,405 2.322,406 5.147,407 3.01,408 2.055,409 2.49,411 6.126,412 1.953,413 3.138,414 2.273,415 5.086,416 2.851,417 1.879,418 2.256,420 5.839,421 1.822,422 2.926,423 2.271,424 4.648,425 2.802,426 1.814,427 2.002,428 4.979,429 1.781,430 2.879,431 2.016,432 4.489,433 2.654,434 1.749,435 1.879,436 4.494,437 1.578,438 2.743,439 1.873,440 4.203,441 2.302,442 1.373,443 1.821,445 3.722,446 1.28,447 2.527,448 1.868,449 3.918,450 2.272,451 1.303,452 1.5,454 3.11,455 1.25,456 2.5,457 1.462,458 3.853,459 2.166,460 1.278,461 1.5,463 2.871,464 1.12,465 22.033,466 0.469,467 1.109,468 0.024,469 55.25,470 1.176,471 22.5,472 0.479,473 32.75,474 0.697,475 51.436,476 1.094,477 52.367,478 0.575,479 48.014,480 1.022,481 10.202,482 0.217,483 12.705,484 0.27,485 0.076,487 0.349,493 0.81,494 1.578,495 0.817,496 1.257,497 0.589,498 1.066,499 0.979,500 1.113,501 0.945,502 1.009,503 0.585,504 0.98,505 1.063,506 1.097,507 1.024,508 1.002,509 0.816,510 0.995,511 1.063,512 1.172,513 1.001,514 1.052,515 1.177,516 1.018,517 1.103,518 0.86,519 0.944,520 0.75,521 1.413,522 0.797,523 0.86,524 1.002,525 0.962,526 0.978,527 0.894,528 0.975,529 0.804,530 1.092,531 1.065,532 1.147,533 0.805,534 1.139,535 0.638,536 1.07,537 1.062,538 1.28,539 0.806,540 1.258,541 9,542 0.255,543 5.333,544 2.938,545 1.872,546 1.812,547 1.25,548 0.634,549 0.427,550 0.469,551 50360,552 111797,553 2.164,554 48.4,556 27,559 2,560 1,561 14,564 1.832,565 2.058,566 4.113,567 0.116,573 140.469,574 1.544,575 3.535,576 4.791,577 5.238,578 5.326,579 5.392,580 3.563,581 4.959,582 5.525,583 4.412,584 4769.4,585 9.774,586 100231,591 592.209,592 1.291,593 5.501,594 0.17,595 0.006,596 0.071,597 0.038,598 0.026,599 0.026,600 0.017,601 0.009,602 0.006,603 0.009,604 0.378,605 0.17,606 0.63,607 0.539,608 284.748,609 -0.023,610 -0.291,611 0.081,612 -0.111,613 -0.008,614 -0.016,615 0.075,616 0.048,617 0.024,618 0.02,619 0.097,620 0.005,621 -0.1,622 -0.025,623 -0.045,624 -0.011,625 -0.009,626 -0.015,627 -0.084,628 -0.166,629 -0.011,630 -0.077,631 -0.028,632 -0.039,633 -0.027,634 0.153,635 0.071,636 0.179,637 -0.068,638 0.151,639 -0.027,640 0.089,641 -0.005,642 0.041,643 -0.04,644 0.027,645 -0.017,646 0.017,647 -0.128,648 -0.086,649 -0.022,650 -0.114,651 0.18,652 -0.066,653 -0.117,654 -0.207,655 0.16,656 -0.215,657 2.034,658 5.994,659 0.809,660 74.604,661 1,662 1.135,663 3.695,664 13.649,665 0.644,666 3.989,667 4.331,668 4.625,669 4.898,670 5.147,671 5.273,672 5.46,673 5.595,674 5.733,675 5.889,676 11.25,677 0.61,678 640.87,679 3.989,680 5.549,681 6.412,682 7.295,683 8.17,684 9.058,685 9.94,686 10.832,687 11.718,688 12.612,689 8.8,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,731 91,733 20,734 2,735 53,737 97,738 35,739 15,740 4,741 8,742 1,746 7,747 8,751 1,752 2,755 6,756 1,758 7,761 17,762 18,763 1,766 2,771 2,775 2,781 44,782 12,783 2,784 12,790 8,794 0.857,795 4,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 2,848 47,854 12,855 2,856 2,858 4,859 3,870 4.4,873 2,874 2,877 22.833,878 16.617,879 10.139,880 5.903,881 3.497,882 1.371,883 0.98,884 9.801,885 12.935,886 4.174,887 4.696,888 5.205,889 5.729,890 6.256,891 6.537,892 6.967,893 7.325,894 7.624,895 7.994,896 1,897 78,898 17.545,900 7.631,901 7.613,902 34.248,904 29.269,905 2.113,906 99.333,910 494.386,911 157.811,912 95.751,914 72.29,917 157.811,918 566.676,919 95.751,920 17.65,921 76.076,922 75.81,923 127.351,924 22.789,925 6.175,926 494.386,928 494.386,929 253.562,930 72.29,933 334.247,934 215.085,935 22,937 98.75,938 99.799,939 50.357,941 494.386,942 168.041,943 157.811,946 494.386,947 64.351,948 102.833,949 36.022,950 122.646,951 494.386,952 168.041,953 157.811,955 0.586,956 0.344,957 0.184,958 0.099,959 37,960 16,961 0.072,962 7,963 2,964 1.079,965 5.676,966 501.828,967 0.105,968 37,969 237.066,974 32.11,975 14.346,976 7.351,978 168.041,979 14.612,980 14.886,984 4.915,986 36.022,987 820.238,988 64,993 25.828,997 -0.347,999 91.028,1000 103.298,1001 0.237,1002 0.543,1003 0.736,1004 0.805,1005 0.818,1006 0.829,1007 5.449,1008 2.167,1009 6.395,1010 7.002,1011 5.017,1012 5.384,1013 2.607,1014 7.207,1015 4.923,1016 6.612,1017 2.055,1018 7.953,1019 6.427,1020 4.575,1021 5.085,1022 1.494,1023 8.091,1024 4.449,1025 7.898,1026 1.879,1027 9.609,1028 6.126,1029 6.616,1030 7.418,1031 2.881,1032 11.191,1033 6.43,1034 9.211,1035 1.814,1036 11.322,1037 5.839,1038 6.995,1039 7.917,1040 2.464,1041 12.914,1042 6.773,1043 10.558,1044 1.749,1045 13.073,1046 4.979,1047 8.489,1048 9.752,1049 3.481,1050 15.522,1051 8.211,1052 11.926,1053 1.373,1054 14.851,1055 4.494,1056 9.25,1057 10.627,1058 3.475,1059 17.607,1060 8.928,1061 13.31,1062 1.303,1063 16.648,1064 3.722,1065 10.518,1066 12.246,1067 4.272,1068 20.053,1069 10.143,1070 3.22,1071 1.278,1072 18.459,1073 3.11,1074 11.465,1075 13.324,1076 4.501,1077 22.303,1078 11.04,1079 2.994,1080 11.296,1081 20.283,1082 2.871,1083 12.64,1084 14.833,1085 5.168,1086 24.699,1087 12.161,1088 2.942,1089 9.685,1090 22.116,1091 4.057,1092 13.678,1093 16.029,1094 5.524,1095 27.026,1096 13.144,1097 2.749,1098 9.552,1099 23.958,1100 3.802,1101 14.817,1102 17.478,1103 6.119,1104 29.413,1105 14.228,1106 2.713,1107 8.657,1108 25.807,1109 3.612,1110 15.9,1111 18.745,1112 6.542,1113 31.778,1114 15.252,1115 2.605,1116 8.149,1117 27.662,1118 3.231,1119 17.029,1120 20.162,1121 7.097,1122 34.169,1123 16.323,1124 2.406,1125 7.643,1126 29.523,1127 3.171,1128 18.137,1129 21.473,1130 7.557,1131 36.555,1132 17.369,1133 45792,1134 68514,1135 36.293,1136 58.569,1137 80.664,1138 82.633,1139 81.783,1140 80.034,1141 80.029,1142 95.299,1143 13.432,1144 231.248,1145 76.308,1146 5.431,1147 5.696,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 20.358,1156 1.522,1157 1.559,1158 1.543,1159 1.51,1160 1.51,1161 1.798,1162 0.253,1163 4.363,1164 1.44,1165 4.058,1166 4.105,1167 4.006,1168 3.927,1169 7.432,1170 3.937,1171 3.958,1172 4,1173 3.903,1174 3.854,1175 7.427,1176 3.859,1177 3.903,1178 3.944,1179 3.826,1180 3.78,1181 5.071,1182 3.786,1183 3.833,1184 3.889,1185 3.731,1186 3.686,1187 4.734,1188 3.687,1189 3.814,1190 3.861,1191 3.71,1192 3.647,1193 4.693,1194 3.654,1195 3.588,1196 3.644,1197 3.518,1198 3.36,1199 4.626,1200 3.393,1201 3.527,1202 3.597,1203 3.416,1204 3.338,1205 4.591,1206 3.341,1207 3.394,1208 3.441,1209 3.301,1210 3.135,1211 4.387,1212 3.178,1213 0.084,1214 0.07,1215 0.129,1216 0.078,1217 0.061,1218 4.431,1219 0.077,1220 3.696,1221 0.031,1222 6.817,1223 0.213,1224 4.149,1225 0.057,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.941,1232 1.911,1233 2.043,1234 2.082,1235 1.368,1236 2.067,1237 1.916,1238 1.888,1239 2.036,1240 2.061,1241 1.324,1242 2.055,1243 1.816,1244 1.772,1245 1.991,1246 1.986,1247 1.255,1248 1.987,1249 1.787,1250 1.72,1251 1.975,1252 1.948,1253 1.197,1254 1.96,1255 1.678,1256 1.628,1257 1.86,1258 1.907,1259 1.105,1260 1.895,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.09,1266 1.798,1267 1.519,1268 1.446,1269 1.803,1270 1.741,1271 1.014,1272 1.761,1273 1.44,1274 1.388,1275 1.543,1276 1.696,1277 0.825,1278 1.662,1279 4.673,1281 6.009,1282 2.398,1283 7.537,1284 4.844,1285 9.148,1286 6.986,1287 10.802,1289 4.361,1295 9.985,1296 5.76,1297 11.414,1299 1.301,1300 6.618,1305 55.513,1306 140.469,1307 321.726,1308 435.945,1309 476.7,1310 484.7,1311 490.7,1312 88.677,1313 9.437,1314 125.05,1315 125.05,1316 41,1317 13.14,1318 4.392,1319 3.585,1320 66.966,1321 325,1322 338,1323 0.098,1324 332.887,1325 588.96,1326 804.003,1327 228255,1329 32.329,1330 0.688,1331 0.579,1332 32.329,1333 27.23,1334 22.907,1335 0.432,1336 0.319,1337 16.659,1338 21.891,1339 16.323,1340 13.386,1341 22.907,1342 16.927,1343 20.907,1344 0.279,1345 0.176,1346 20.907,1347 13.189,1348 17.991,1349 0.178,1350 0.097,1351 17.991,1352 9.821,1353 15.23,1354 0.115,1355 0.053,1356 15.23,1357 7.035,1358 12.383,1359 0.072,1360 0.028,1361 12.383,1362 4.744,1363 0.162,1364 144.288,1365 0.166,1366 41.817,1367 0.249,1368 256,1369 701.479,1370 284.808,1371 665.083,1372 917.99,1373 628,1374 304,1375 679.306,1376 333.617,1377 680.945,1378 1008.34,1379 643,1380 6.83}
{0 CHEMBL1091357,1 1.544,2 19.17,3 2.985,4 8.912,5 176.279,6 7.043,7 0.34,8 4.613,9 4.742,10 4.141,11 4.095,12 5.608,13 4.08,14 5.223,15 5.413,16 4.523,17 4.532,18 6.191,19 4.489,20 5.518,21 5.746,22 4.593,23 4.721,24 6.422,25 4.64,26 5.598,27 5.858,28 4.532,29 4.685,30 6.546,31 4.588,32 5.501,33 5.76,34 4.503,35 4.615,36 6.502,37 4.535,38 5.377,39 5.606,40 4.492,41 4.624,42 6.316,43 4.543,44 5.403,45 5.614,46 4.516,47 4.699,48 6.334,49 4.605,50 5.555,51 5.785,52 4.483,53 4.747,54 6.531,55 4.612,56 0.021,57 1.405,58 20.508,59 8.032,60 10.829,61 11.38,62 0.648,63 2.312,64 41.296,65 13.847,66 50.986,67 19.961,68 0.571,69 2.885,70 56.796,71 18.152,72 61.482,73 27.386,74 0.74,75 2.929,76 63.695,77 18.778,78 94.446,79 29.083,80 0.945,81 2.683,82 58.202,83 16.335,84 112.77,85 25.578,86 0.627,87 2.552,88 49.14,89 16.424,90 64.64,91 24.349,92 0.476,93 2.653,94 49.174,95 18.051,96 56.553,97 26.192,98 0.787,99 2.821,100 58.927,101 22.341,102 119.582,103 31.705,104 18,105 75,106 0.229,107 0.521,108 0.704,109 0.776,110 0.789,111 0.798,112 3.874,113 0.954,114 -4.92,115 -4.83,116 -4.53,119 38.5,121 6,122 1,124 2,125 6,127 3,142 8,143 2,144 2,149 2,150 1,158 1,159 1,172 11,174 6,175 14,178 2,179 1,180 4,183 10,186 1,187 15,192 4,195 4,198 2,199 22,204 6,207 3,211 4,212 12,217 4,220 8,223 1,224 9,227 4,229 2,232 18,236 3,237 5,245 20,249 4,250 8,253 6,255 3,258 12,263 6,268 2,271 4,275 5235,276 32.187,277 32.187,278 32.187,279 32.187,280 32.187,281 29.933,282 49.156,283 18.85,284 33.017,285 26.186,286 26.186,287 26.186,288 26.186,289 26.186,290 22.591,291 73.491,292 8.978,293 27.502,294 4.964,295 2.989,296 1.75,297 1.269,298 1.181,299 1.115,300 4.594,306 2022,307 4.183,310 127.714,311 1054.7,312 174.202,318 3.096,319 47.284,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 102,331 901,332 4.431,333 3.694,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.268,342 3.562,343 6.396,344 3.974,345 2.994,346 3.802,347 1.2,348 9.685,349 2.934,350 4.154,351 3.462,352 6.278,353 3.901,354 2.942,355 3.612,356 0.86,357 9.552,358 2.823,359 3.994,360 3.115,361 6.022,362 3.721,363 2.749,364 3.231,365 0.86,366 8.657,367 2.676,368 3.898,369 2.971,370 5.913,371 3.675,372 2.713,373 3.171,374 0.8,375 8.149,376 2.602,377 3.756,378 2.812,379 5.576,380 3.569,381 2.605,382 3.025,383 0.8,384 7.643,385 2.502,386 3.681,387 2.585,388 5.37,389 3.369,390 2.406,391 2.755,392 0.293,393 7.002,394 2.313,395 3.44,396 2.481,397 5.254,398 3.115,399 2.167,400 2.617,401 0.247,402 6.427,403 2.049,404 3.324,405 2.324,406 5.147,407 3.007,408 2.055,409 2.49,411 6.126,412 1.946,413 3.138,414 2.298,415 5.086,416 2.851,417 1.879,418 2.256,420 5.839,421 1.822,422 2.926,423 2.273,424 4.648,425 2.799,426 1.814,427 2.002,428 4.979,429 1.774,430 2.879,431 2.016,432 4.489,433 2.654,434 1.749,435 1.879,436 4.494,437 1.578,438 2.743,439 1.874,440 4.203,441 2.298,442 1.373,443 1.821,445 3.722,446 1.269,447 2.527,448 1.868,449 3.918,450 2.262,451 1.303,452 1.5,454 3.11,455 1.241,456 2.5,457 1.462,458 3.853,459 2.166,460 1.278,461 1.5,463 2.871,464 1.12,465 22.033,466 0.469,467 1.109,468 0.024,469 55.25,470 1.176,471 22.5,472 0.479,473 32.75,474 0.697,475 50.926,476 1.084,477 52.367,478 0.575,479 48.524,480 1.032,481 10.266,482 0.218,483 12.641,484 0.269,485 0.076,487 0.349,493 0.81,494 1.578,495 0.817,496 1.257,497 0.582,498 1.066,499 0.991,500 1.057,501 0.952,502 0.979,503 0.588,504 0.963,505 1.021,506 1.191,507 1.022,508 1.077,509 0.812,510 1.047,511 1.079,512 1.089,513 0.988,514 0.982,515 1.161,516 0.966,517 1.13,518 0.887,519 0.957,520 0.777,521 1.45,522 0.817,523 0.868,524 0.974,525 0.971,526 0.963,527 0.959,528 0.972,529 0.743,530 1.113,531 1.052,532 1.175,533 0.725,534 1.157,535 0.639,536 1.075,537 1.054,538 1.273,539 0.798,540 1.25,541 9,542 0.255,543 5.333,544 2.938,545 1.872,546 1.812,547 1.25,548 0.634,549 0.427,550 0.469,551 50360,552 112093,553 2.164,554 48.4,556 29,559 2,560 1,561 8,562 4,564 1.832,565 2.058,566 4.113,567 0.116,573 140.469,574 1.544,575 3.519,576 4.757,577 5.238,578 5.326,579 5.392,580 3.563,581 4.959,582 5.525,583 4.412,584 4769.4,585 9.774,586 100231,591 592.209,592 1.291,593 5.501,594 0.17,595 0.006,596 0.071,597 0.038,598 0.026,599 0.026,600 0.017,601 0.009,602 0.006,603 0.009,604 0.378,605 0.17,606 0.63,607 0.539,608 284.748,609 -0.023,610 -0.291,611 0.081,612 -0.111,613 -0.001,614 -0.016,615 0.063,616 0.105,617 0.017,618 0.051,619 0.093,620 0.022,621 -0.089,622 -0.12,623 -0.052,624 -0.069,625 -0.006,626 -0.055,627 -0.082,628 -0.091,629 0.01,630 -0.025,631 -0.026,632 0.003,633 -0.055,634 0.133,635 0.054,636 0.16,637 -0.088,638 0.134,639 -0.009,640 0.115,641 -0.011,642 0.055,643 -0.04,644 0.028,645 0.003,646 -0.005,647 -0.122,648 -0.105,649 -0.007,650 -0.125,651 0.181,652 -0.075,653 -0.107,654 -0.205,655 0.163,656 -0.209,657 2.033,658 5.999,659 0.809,660 74.604,661 1,662 1.135,663 3.695,664 13.649,665 0.644,666 3.989,667 4.331,668 4.625,669 4.898,670 5.147,671 5.273,672 5.46,673 5.595,674 5.733,675 5.889,676 11.25,677 0.61,678 640.87,679 3.989,680 5.549,681 6.412,682 7.295,683 8.17,684 9.058,685 9.94,686 10.832,687 11.718,688 12.612,689 8.8,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,731 91,733 20,734 2,735 53,737 97,738 35,739 15,740 4,741 8,742 1,746 7,747 8,751 1,755 9,756 1,758 9,761 17,762 18,763 1,766 2,771 2,775 2,781 44,782 12,783 2,784 12,790 8,794 0.857,795 4,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 2,848 47,854 12,855 2,856 2,858 4,859 3,870 4.4,873 2,874 2,877 22.833,878 16.617,879 10.139,880 5.769,881 3.497,882 1.371,883 0.98,884 9.801,885 12.935,886 4.174,887 4.696,888 5.205,889 5.729,890 6.256,891 6.537,892 6.967,893 7.325,894 7.624,895 7.994,896 1,897 78,898 17.543,900 7.631,901 7.613,902 34.248,904 29.304,905 2.113,906 99.333,910 494.386,911 157.811,912 95.751,914 72.29,917 157.811,918 566.676,919 95.751,920 16.793,921 76.934,922 75.81,923 127.351,924 22.789,925 6.175,926 494.386,928 494.386,929 253.562,930 72.29,933 357.789,934 191.543,935 22,937 81.957,938 116.592,939 50.357,941 494.386,942 168.041,943 157.811,946 494.386,947 65.208,948 101.976,949 36.022,950 122.646,951 494.386,952 168.041,953 157.811,955 0.586,956 0.344,957 0.184,958 0.099,959 37,960 16,961 0.072,962 7,963 2,964 1.079,965 5.676,966 501.828,967 0.105,968 37,969 237.066,974 32.11,975 14.346,976 7.351,978 168.041,979 14.624,980 14.887,984 4.923,986 36.022,987 820.238,988 64,993 25.834,997 -0.338,999 91.028,1000 103.298,1001 0.237,1002 0.541,1003 0.731,1004 0.805,1005 0.818,1006 0.829,1007 5.449,1008 2.167,1009 6.395,1010 7.002,1011 5.017,1012 5.384,1013 2.607,1014 7.207,1015 4.926,1016 6.612,1017 2.055,1018 7.953,1019 6.427,1020 4.575,1021 5.085,1022 1.494,1023 8.091,1024 4.449,1025 7.898,1026 1.879,1027 9.609,1028 6.126,1029 6.616,1030 7.418,1031 2.881,1032 11.191,1033 6.438,1034 9.211,1035 1.814,1036 11.322,1037 5.839,1038 6.995,1039 7.917,1040 2.464,1041 12.914,1042 6.779,1043 10.558,1044 1.749,1045 13.073,1046 4.979,1047 8.489,1048 9.752,1049 3.481,1050 15.522,1051 8.223,1052 11.926,1053 1.373,1054 14.851,1055 4.494,1056 9.25,1057 10.627,1058 3.475,1059 17.607,1060 8.938,1061 13.31,1062 1.303,1063 16.648,1064 3.722,1065 10.518,1066 12.246,1067 4.272,1068 20.053,1069 10.158,1070 3.22,1071 1.278,1072 18.459,1073 3.11,1074 11.465,1075 13.324,1076 4.501,1077 22.303,1078 11.053,1079 2.994,1080 11.296,1081 20.283,1082 2.871,1083 12.64,1084 14.833,1085 5.168,1086 24.699,1087 12.177,1088 2.942,1089 9.685,1090 22.116,1091 4.057,1092 13.678,1093 16.029,1094 5.524,1095 27.026,1096 13.159,1097 2.749,1098 9.552,1099 23.958,1100 3.802,1101 14.817,1102 17.478,1103 6.119,1104 29.413,1105 14.244,1106 2.713,1107 8.657,1108 25.807,1109 3.612,1110 15.9,1111 18.745,1112 6.542,1113 31.778,1114 15.268,1115 2.605,1116 8.149,1117 27.662,1118 3.231,1119 17.029,1120 20.162,1121 7.097,1122 34.169,1123 16.34,1124 2.406,1125 7.643,1126 29.523,1127 3.171,1128 18.137,1129 21.473,1130 7.557,1131 36.555,1132 17.386,1133 45792,1134 68592,1135 36.293,1136 58.569,1137 80.664,1138 82.512,1139 81.783,1140 80.06,1141 80.029,1142 95.299,1143 13.432,1144 231.248,1145 76.371,1146 5.431,1147 5.694,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 20.358,1156 1.522,1157 1.557,1158 1.543,1159 1.511,1160 1.51,1161 1.798,1162 0.253,1163 4.363,1164 1.441,1165 4.058,1166 4.106,1167 4.006,1168 3.928,1169 7.432,1170 3.938,1171 3.96,1172 4.002,1173 3.904,1174 3.856,1175 7.427,1176 3.861,1177 3.903,1178 3.945,1179 3.826,1180 3.78,1181 5.071,1182 3.786,1183 3.839,1184 3.893,1185 3.734,1186 3.693,1187 4.734,1188 3.693,1189 3.818,1190 3.862,1191 3.715,1192 3.682,1193 4.693,1194 3.683,1195 3.585,1196 3.641,1197 3.518,1198 3.354,1199 4.626,1200 3.391,1201 3.492,1202 3.572,1203 3.406,1204 3.238,1205 4.591,1206 3.267,1207 3.385,1208 3.439,1209 3.283,1210 3.119,1211 4.389,1212 3.152,1213 0.084,1214 0.07,1215 0.129,1216 0.078,1217 0.061,1218 4.431,1219 0.077,1220 3.694,1221 0.031,1222 6.817,1223 0.213,1224 4.149,1225 0.057,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.942,1232 1.911,1233 2.06,1234 2.082,1235 1.411,1236 2.07,1237 1.921,1238 1.891,1239 2.039,1240 2.064,1241 1.368,1242 2.061,1243 1.82,1244 1.773,1245 1.993,1246 1.988,1247 1.255,1248 1.99,1249 1.811,1250 1.756,1251 1.977,1252 1.949,1253 1.197,1254 1.96,1255 1.678,1256 1.628,1257 1.86,1258 1.907,1259 1.104,1260 1.895,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.087,1266 1.798,1267 1.446,1268 1.392,1269 1.728,1270 1.722,1271 0.835,1272 1.72,1273 1.422,1274 1.338,1275 1.543,1276 1.69,1277 0.825,1278 1.661,1279 4.673,1281 6.009,1282 2.398,1283 7.537,1284 4.844,1285 9.148,1286 6.986,1287 10.802,1289 4.175,1295 10.236,1296 5.762,1297 11.414,1299 1.335,1300 6.481,1305 55.513,1306 140.469,1307 320.216,1308 432.925,1309 476.7,1310 484.7,1311 490.7,1312 89.593,1313 9.437,1314 125.05,1315 125.05,1316 41,1317 13.14,1318 4.392,1319 3.585,1320 66.966,1321 325,1322 338,1323 0.098,1324 332.887,1325 588.96,1326 804.003,1327 228255,1329 32.329,1330 0.688,1331 0.579,1332 32.329,1333 27.23,1334 22.907,1335 0.432,1336 0.318,1337 16.574,1338 21.884,1339 16.235,1340 13.328,1341 22.907,1342 16.851,1343 20.907,1344 0.279,1345 0.177,1346 20.907,1347 13.254,1348 17.991,1349 0.178,1350 0.099,1351 17.991,1352 9.971,1353 15.23,1354 0.115,1355 0.054,1356 15.23,1357 7.179,1358 12.383,1359 0.072,1360 0.029,1361 12.383,1362 4.878,1363 0.162,1364 144.457,1365 0.166,1366 41.817,1367 0.249,1368 256,1369 701.479,1370 284.142,1371 665.871,1372 916.31,1373 628,1374 304,1375 674.602,1376 333.228,1377 679.413,1378 1003.22,1379 639,1380 7.114}
{0 CHEMBL1091358,1 1.572,2 18.364,3 2.807,4 7.881,5 163.951,6 7.152,7 0.367,8 4.532,9 4.662,10 4.067,11 4.003,12 5.563,13 3.994,14 5.122,15 5.311,16 4.43,17 4.42,18 6.137,19 4.383,20 5.393,21 5.619,22 4.477,23 4.587,24 6.339,25 4.51,26 5.453,27 5.717,28 4.424,29 4.521,30 6.426,31 4.437,32 5.32,33 5.569,34 4.423,35 4.449,36 6.394,37 4.401,38 5.207,39 5.402,40 4.446,41 4.515,42 6.232,43 4.457,44 5.346,45 5.548,46 4.46,47 4.638,48 6.317,49 4.552,50 5.496,51 5.725,52 4.426,53 4.712,54 6.458,55 4.568,56 0.051,57 1.296,58 18.564,59 7.182,60 10.676,61 10.161,62 0.658,63 2.076,64 37.046,65 12.306,66 52.555,67 17.624,68 0.611,69 2.527,70 49.966,71 15.789,72 63.01,73 23.71,74 0.693,75 2.52,76 55.299,77 15.435,78 88.271,79 24.514,80 0.998,81 2.29,82 48.433,83 12.215,84 103.725,85 19.617,86 0.467,87 2.251,88 39.82,89 13.903,90 53.711,91 20.062,92 0.631,93 2.497,94 46.291,95 16.418,96 69.117,97 23.587,98 0.673,99 2.69,100 54.552,101 21.793,102 104.581,103 30.883,104 22,105 68,106 0.237,107 0.549,108 0.723,109 0.784,110 0.798,111 0.809,112 3.81,113 0.939,114 -4.37,115 -4.31,116 -4.06,119 38.1,121 4,122 1,124 2,125 6,127 2,142 8,143 2,144 2,149 2,150 1,158 1,159 1,172 11,174 5,175 9,178 3,179 1,180 5,183 9,186 1,187 13,190 1,192 6,195 4,198 1,199 18,204 8,207 1,211 5,212 13,217 4,220 4,224 10,227 3,228 1,229 2,232 14,236 3,237 5,245 20,249 3,250 6,253 6,254 1,255 1,258 12,263 6,266 1,268 2,271 4,275 4568,276 30.032,277 30.032,278 30.032,279 30.032,280 30.032,281 27.754,282 43.334,283 17.866,284 30.82,285 24.251,286 24.251,287 24.251,288 24.251,289 24.251,290 20.628,291 60.467,292 8.564,293 25.488,294 4.82,295 2.743,296 1.589,297 1.185,298 1.089,299 1.018,300 4.523,306 1787,307 4.416,310 117.626,311 801.738,312 160.346,318 3.012,319 45.269,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 96,331 808,332 4.431,333 3.568,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.197,342 3.55,343 6.278,344 3.901,345 2.942,346 3.774,347 1.058,348 9.552,349 2.831,350 4.152,351 3.462,352 6.03,353 3.833,354 2.834,355 3.612,356 0.86,357 8.657,358 2.82,359 3.989,360 3.115,361 6.022,362 3.714,363 2.735,364 3.203,365 0.86,366 8.596,367 2.674,368 3.85,369 2.812,370 5.559,371 3.555,372 2.585,373 3.138,374 0.8,375 7.594,376 2.496,377 3.683,378 2.585,379 5.325,380 3.335,381 2.367,382 3.004,383 0.8,384 6.894,385 2.287,386 3.418,387 2.563,388 5.243,389 3.136,390 2.218,391 2.604,392 0.247,393 6.412,394 2.039,395 3.301,396 2.477,397 5.086,398 3.085,399 2.143,400 2.476,402 5.839,403 2.009,404 3.219,405 2.319,406 4.68,407 2.88,408 1.887,409 2.23,411 5.2,412 1.857,413 2.928,414 2.273,415 4.651,416 2.851,417 1.879,418 2.007,420 5.051,421 1.822,422 2.879,423 2.016,424 4.492,425 2.656,426 1.752,427 1.893,428 4.502,429 1.579,430 2.846,431 1.893,432 4.211,433 2.46,434 1.492,435 1.879,436 3.827,437 1.436,438 2.74,439 1.87,440 4.158,441 2.288,442 1.366,443 1.814,445 3.687,446 1.256,447 2.5,448 1.498,449 3.853,450 2.166,451 1.28,452 1.5,454 2.871,455 1.12,456 2.5,457 1.462,458 3.532,459 2,460 1.053,461 1.5,463 2.608,464 1,465 20.533,466 0.467,467 1.006,468 0.023,469 53,470 1.205,471 22.5,472 0.511,473 30.5,474 0.693,475 44.393,476 1.009,477 49.067,478 0.584,479 46.413,480 1.055,481 10.163,482 0.231,483 11.261,484 0.256,485 0.081,487 0.331,493 0.833,494 1.57,495 0.813,496 1.249,497 0.6,498 1.054,499 0.992,500 1.033,501 0.949,502 0.972,503 0.597,504 0.959,505 1.026,506 1.185,507 1.028,508 1.085,509 0.867,510 1.057,511 1.039,512 1.132,513 0.92,514 0.949,515 1.033,516 0.911,517 1.237,518 0.816,519 0.984,520 0.663,521 1.473,522 0.738,523 0.907,524 1.13,525 1.005,526 1.103,527 1.008,528 1.069,529 0.947,530 1.051,531 1.144,532 1.124,533 1.085,534 1.155,535 0.407,536 1.121,537 1.031,538 1.379,539 0.381,540 1.334,541 8.5,542 0.185,543 4.444,544 2.438,545 1.49,546 1.701,547 1.11,548 0.566,549 0.374,550 0.459,551 40094,552 96231,553 2.136,554 47.6,556 28,559 3,560 1,561 8,564 1.818,565 2.031,566 4.035,567 0.741,573 132.078,574 1.572,575 3.65,576 4.803,577 5.208,578 5.303,579 5.374,580 3.499,581 4.789,582 5.425,583 4.337,584 4103.02,585 9.587,586 81581.6,591 536.955,592 1.289,593 5.405,594 0.173,595 0.005,596 0.065,597 0.035,598 0.023,599 0.026,600 0.016,601 0.008,602 0.006,603 0.01,604 0.368,605 0.17,606 0.63,607 1.059,608 261.142,609 -0.045,610 -0.279,611 0.069,612 -0.108,613 -0.018,614 -0.015,615 0.058,616 0.123,617 0.011,618 0.057,619 0.098,620 0.022,621 -0.087,622 -0.121,623 -0.062,624 -0.076,625 -0.031,626 -0.066,627 -0.074,628 -0.144,629 0.079,630 -0.003,631 -0.003,632 0.056,633 -0.088,634 0.25,635 0.036,636 0.243,637 -0.107,638 0.182,639 -0.043,640 0.019,641 -0.071,642 -0.047,643 -0.038,644 -0.06,645 -0.091,646 0.066,647 -0.211,648 -0.061,649 -0.126,650 -0.139,651 0.238,652 -0.112,653 -0.114,654 -0.28,655 0.231,656 -0.266,657 2.048,658 5.703,659 0.727,660 68.248,661 1.003,662 1.137,663 3.145,664 9.89,665 0.643,666 3.912,667 4.234,668 4.5,669 4.779,670 5.024,671 5.153,672 5.333,673 5.493,674 5.638,675 5.802,676 10.653,677 0.613,678 600.8,679 3.912,680 5.46,681 6.308,682 7.185,683 8.05,684 8.934,685 9.81,686 10.7,687 11.582,688 12.476,689 9.5,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 1,731 84,733 20,734 2,735 49,737 89,738 32,739 15,740 4,741 8,742 1,746 6,747 7,751 1,755 6,756 1,758 6,761 17,762 15,763 1,766 2,771 2,775 2,781 40,782 12,783 3,784 12,790 8,794 0.833,795 4,808 1,811 1,812 5,813 1,836 1,839 2,840 5,844 2,848 44,854 10,855 3,856 2,858 3,859 2,870 4.8,873 2,874 2,877 21.667,878 15.333,879 9.583,880 5.157,881 3.422,882 1.38,883 0.975,884 9.797,885 12.433,886 4.111,887 4.63,888 5.131,889 5.672,890 6.208,891 6.489,892 6.912,893 7.276,894 7.574,895 7.952,896 0.917,897 69,898 16.375,900 7.026,901 7.67,902 31.674,904 26.492,905 2.17,906 95.5,910 435.531,911 152.742,912 110.637,914 72.29,917 152.742,918 507.82,919 110.637,920 16.793,921 86.751,922 75.81,923 127.351,924 22.789,925 6.175,926 435.531,928 435.531,929 263.379,930 72.29,933 346.018,934 144.459,935 22,937 91.775,938 116.592,939 50.357,941 435.531,942 182.927,943 152.742,946 435.531,947 60.139,948 98.851,949 54.032,950 122.646,951 435.531,952 182.927,953 152.742,955 0.579,956 0.328,957 0.177,958 0.096,959 32,960 14,961 0.101,962 9,963 2,964 1.094,965 5.438,966 450.053,967 0.125,968 31,969 220.215,974 30.566,975 14.103,976 7.623,978 182.927,979 14.306,980 14.838,984 4.779,986 54.032,987 771.2,988 60,993 25.009,997 -0.529,999 84.261,1000 95.467,1001 0.246,1002 0.571,1003 0.751,1004 0.815,1005 0.83,1006 0.841,1007 5.368,1008 2.143,1009 6.282,1010 6.412,1011 4.92,1012 5.318,1013 2.559,1014 7.074,1015 4.828,1016 6.531,1017 1.887,1018 7.824,1019 5.839,1020 4.443,1021 5.007,1022 1.404,1023 7.923,1024 4.327,1025 7.812,1026 1.879,1027 9.465,1028 5.2,1029 6.494,1030 7.362,1031 2.822,1032 11.025,1033 6.319,1034 9.122,1035 1.752,1036 11.164,1037 5.051,1038 6.836,1039 7.849,1040 2.382,1041 12.74,1042 6.634,1043 10.465,1044 1.492,1045 12.904,1046 4.502,1047 8.341,1048 9.705,1049 3.421,1050 15.352,1051 8.083,1052 11.829,1053 1.366,1054 14.672,1055 3.827,1056 9.079,1057 10.573,1058 3.421,1059 17.445,1060 8.781,1061 13.211,1062 1.28,1063 16.462,1064 3.687,1065 10.353,1066 12.206,1067 4.226,1068 19.897,1069 10.002,1070 3.22,1071 1.053,1072 18.268,1073 2.871,1074 11.289,1075 13.279,1076 4.467,1077 22.16,1078 10.886,1079 2.942,1080 11.296,1081 20.089,1082 2.608,1083 12.468,1084 14.797,1085 5.139,1086 24.565,1087 12.01,1088 2.834,1089 9.552,1090 21.921,1091 4.057,1092 13.502,1093 15.99,1094 5.504,1095 26.906,1096 12.985,1097 2.735,1098 8.657,1099 23.762,1100 3.774,1101 14.644,1102 17.445,1103 6.102,1104 29.303,1105 14.068,1106 2.585,1107 8.596,1108 25.612,1109 3.612,1110 15.728,1111 18.71,1112 6.531,1113 31.68,1114 15.087,1115 2.367,1116 7.594,1117 27.469,1118 3.203,1119 16.861,1120 20.13,1121 7.088,1122 34.081,1123 16.156,1124 2.218,1125 6.894,1126 29.332,1127 3.138,1128 17.972,1129 21.441,1130 7.551,1131 36.478,1132 17.197,1133 37282,1134 57926,1135 33.402,1136 54.046,1137 73.667,1138 75.392,1139 74.549,1140 73.089,1141 73.098,1142 88.374,1143 12.563,1144 207.273,1145 69.692,1146 5.431,1147 5.568,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 19.721,1156 1.503,1157 1.539,1158 1.521,1159 1.492,1160 1.492,1161 1.804,1162 0.256,1163 4.23,1164 1.422,1165 4.052,1166 4.099,1167 4.002,1168 3.922,1169 7.432,1170 3.933,1171 3.941,1172 3.977,1173 3.889,1174 3.849,1175 7.428,1176 3.852,1177 3.899,1178 3.937,1179 3.823,1180 3.78,1181 5.071,1182 3.785,1183 3.825,1184 3.868,1185 3.724,1186 3.686,1187 4.734,1188 3.687,1189 3.692,1190 3.776,1191 3.561,1192 3.467,1193 4.693,1194 3.477,1195 3.584,1196 3.639,1197 3.513,1198 3.353,1199 4.626,1200 3.39,1201 3.453,1202 3.509,1203 3.384,1204 3.19,1205 4.59,1206 3.232,1207 3.317,1208 3.385,1209 3.216,1210 3.042,1211 4.349,1212 3.074,1213 0.09,1214 0.073,1215 0.139,1216 0.085,1217 0.066,1218 4.431,1219 0.083,1220 3.568,1221 0.034,1222 6.817,1223 0.231,1224 4.149,1225 0.061,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.941,1232 1.91,1233 2.041,1234 2.081,1235 1.368,1236 2.066,1237 1.908,1238 1.882,1239 2.012,1240 2.025,1241 1.255,1242 2.02,1243 1.815,1244 1.772,1245 1.984,1246 1.962,1247 1.197,1248 1.97,1249 1.678,1250 1.628,1251 1.894,1252 1.909,1253 1.139,1254 1.901,1255 1.642,1256 1.559,1257 1.86,1258 1.891,1259 1.101,1260 1.893,1261 1.604,1262 1.543,1263 1.855,1264 1.76,1265 1.075,1266 1.798,1267 1.443,1268 1.391,1269 1.619,1270 1.708,1271 0.825,1272 1.668,1273 1.34,1274 1.278,1275 1.542,1276 1.63,1277 0.727,1278 1.617,1279 4.595,1281 5.916,1282 2.398,1283 7.425,1284 4.844,1285 9.019,1286 6.986,1287 10.661,1289 3.909,1295 8.086,1296 8.563,1297 11.387,1299 0.815,1300 4.337,1305 51.459,1306 132.078,1307 306.563,1308 403.445,1309 437.445,1310 445.445,1311 451.445,1312 85.016,1313 9.011,1314 133.84,1315 133.84,1316 35,1317 13.005,1318 4.392,1319 3.585,1320 66.567,1321 283,1322 330,1323 0.112,1324 311.503,1325 549.42,1326 751.827,1327 129983,1329 30.468,1330 0.692,1331 0.575,1332 30.468,1333 25.291,1334 21.424,1335 0.437,1336 0.313,1337 15.069,1338 20.423,1339 14.755,1340 12.158,1341 21.424,1342 15.34,1343 19.431,1344 0.286,1345 0.174,1346 19.431,1347 11.827,1348 15.991,1349 0.18,1350 0.094,1351 15.991,1352 8.349,1353 13.635,1354 0.116,1355 0.05,1356 13.635,1357 5.915,1358 11.046,1359 0.073,1360 0.026,1361 11.046,1362 3.976,1363 0.183,1364 135.475,1365 0.173,1366 39.648,1367 0.286,1368 234,1369 674.166,1370 261.115,1371 639.458,1372 873.41,1373 602,1374 274,1375 636.123,1376 301.425,1377 641.293,1378 942.51,1379 602,1380 7.268}
{0 CHEMBL1091359,1 1.558,2 17.571,3 3.583,4 12.836,5 156.936,6 7.084,7 0.383,8 4.499,9 4.624,10 4.031,11 3.965,12 5.508,13 3.957,14 5.093,15 5.28,16 4.39,17 4.377,18 6.08,19 4.342,20 5.354,21 5.576,22 4.423,23 4.539,24 6.261,25 4.462,26 5.399,27 5.664,28 4.36,29 4.478,30 6.311,31 4.387,32 5.28,33 5.53,34 4.373,35 4.409,36 6.308,37 4.356,38 5.151,39 5.343,40 4.394,41 4.474,42 6.13,43 4.418,44 5.295,45 5.495,46 4.422,47 4.616,48 6.235,49 4.52,50 5.491,51 5.733,52 4.344,53 4.682,54 6.325,55 4.525,56 0.033,57 1.231,58 18.213,59 7.11,60 10.159,61 9.954,62 0.617,63 1.976,64 36.456,65 12.071,66 49.446,67 17.048,68 0.646,69 2.396,70 48.515,71 15.192,72 56.464,73 22.673,74 0.589,75 2.396,76 52.23,77 15.118,78 68.483,79 23.818,80 0.949,81 2.184,82 46.755,83 12.191,84 91.487,85 19.32,86 0.399,87 2.158,88 37.811,89 12.933,90 44.037,91 18.817,92 0.619,93 2.424,94 43.63,95 16.154,96 57.933,97 23.39,98 0.483,99 2.624,100 54.875,101 21.956,102 66.47,103 31.176,104 14,105 65,106 0.237,107 0.54,108 0.714,109 0.791,110 0.802,111 0.806,112 3.765,113 0.943,114 -4.57,115 -4.49,116 -4.23,119 38.3,121 4,122 1,124 2,125 6,127 2,142 8,143 1,144 3,149 2,150 1,159 1,172 9,174 5,175 10,178 2,179 1,180 4,183 7,186 2,187 13,192 4,195 4,198 1,199 16,204 5,207 1,211 4,212 14,215 1,217 4,220 4,224 9,227 2,229 1,232 14,236 4,237 3,240 1,245 20,249 2,250 6,253 5,255 1,258 10,263 8,268 2,271 2,275 4114,276 28.825,277 28.825,278 28.825,279 28.825,280 28.825,281 26.639,282 43.062,283 17.227,284 29.712,285 23.29,286 23.29,287 23.29,288 23.29,289 23.29,290 19.874,291 60.865,292 8.29,293 24.711,294 4.782,295 2.781,296 1.639,297 1.13,298 1.056,299 1.031,300 4.481,306 1640,307 4.062,310 109.798,311 751.813,312 149.727,318 2.898,319 38.639,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 91.5,331 738,332 4.431,333 3.562,334 6.817,335 4.149,336 3.22,337 4.057,338 1.656,339 11.296,340 2.996,341 4.156,342 3.462,343 6.278,344 3.901,345 2.942,346 3.656,347 0.86,348 9.552,349 2.823,350 4.069,351 3.115,352 6.022,353 3.727,354 2.755,355 3.605,356 0.86,357 8.657,358 2.678,359 3.976,360 2.912,361 5.6,362 3.657,363 2.687,364 3.19,365 0.86,366 7.722,367 2.598,368 3.783,369 2.811,370 5.422,371 3.463,372 2.506,373 3.063,374 0.8,375 7.197,376 2.394,377 3.572,378 2.579,379 5.261,380 3.23,381 2.293,382 2.855,383 0.8,384 6.567,385 2.146,386 3.38,387 2.497,388 5.174,389 3.116,390 2.19,391 2.555,392 0.247,393 6.383,394 2.02,395 3.26,396 2.391,397 5.086,398 3.051,399 2.116,400 2.431,402 5.839,403 1.972,404 3.191,405 2.313,406 4.659,407 2.851,408 1.879,409 2.21,411 5.163,412 1.822,413 2.926,414 2.273,415 4.627,416 2.809,417 1.828,418 2.003,420 4.964,421 1.778,422 2.879,423 2.016,424 4.487,425 2.654,426 1.749,427 1.879,428 4.493,429 1.577,430 2.743,431 1.87,432 4.202,433 2.291,434 1.371,435 1.821,436 3.721,437 1.258,438 2.5,439 1.508,440 3.853,441 2.166,442 1.281,443 1.5,445 2.871,446 1.12,447 2.5,448 1.462,449 3.532,450 2,451 1.087,452 1.5,454 2.608,455 1,456 2.323,457 1.205,458 3.488,459 2,460 1.052,461 1.32,463 2.303,464 1,465 19.633,466 0.467,467 0.917,468 0.022,469 50.75,470 1.208,471 21.5,472 0.512,473 29.25,474 0.696,475 42.04,476 1.001,477 46.967,478 0.58,479 42.529,480 1.013,481 9.665,482 0.23,483 10.848,484 0.258,485 0.068,487 0.321,493 0.868,494 1.579,495 0.816,496 1.279,497 0.668,498 1.07,499 1.14,500 1.028,501 0.97,502 0.973,503 0.704,504 0.953,505 1.125,506 1.172,507 1.062,508 1.06,509 0.963,510 1.05,511 0.959,512 1.134,513 0.905,514 0.968,515 0.888,516 0.924,517 1.222,518 0.816,519 0.953,520 0.654,521 1.499,522 0.723,523 0.998,524 1.159,525 1.05,526 1.076,527 1.227,528 1.06,529 0.638,530 1.087,531 1.125,532 1.192,533 0.636,534 1.22,535 0.445,536 1.11,537 1.008,538 1.35,539 0.511,540 1.298,541 8,542 0.185,543 3.778,544 2.063,545 1.37,546 1.583,547 1.11,548 0.457,549 0.394,550 0.367,551 35168,552 81716,553 2.158,554 48.1,556 28,559 2,560 1,561 8,564 1.808,565 2.066,566 3.969,567 0.149,573 126.166,574 1.558,575 3.559,576 4.701,577 5.21,578 5.284,579 5.309,580 3.463,581 4.726,582 5.356,583 4.267,584 3674.22,585 9.454,586 69877.6,591 513.528,592 1.224,593 5.344,594 0.17,595 0.005,596 0.058,597 0.032,598 0.023,599 0.025,600 0.017,601 0.007,602 0.007,603 0.009,604 0.352,605 0.17,606 0.63,607 0.914,608 245.255,609 -0.031,610 -0.299,611 0.081,612 -0.133,613 -0.009,614 -0.025,615 0.013,616 0.115,617 0.008,618 0.052,619 0.104,620 0.023,621 -0.1,622 -0.112,623 -0.083,624 -0.058,625 -0.064,626 -0.068,627 -0.047,628 -0.14,629 0.086,630 -0.015,631 0.039,632 0.048,633 -0.061,634 0.24,635 0.07,636 0.259,637 -0.062,638 0.203,639 -0.128,640 0.016,641 -0.112,642 -0.027,643 -0.129,644 -0.059,645 0.063,646 0.063,647 -0.211,648 -0.115,649 0.014,650 -0.189,651 0.156,652 -0.128,653 -0.09,654 -0.262,655 0.11,656 -0.23,657 1.99,658 5.658,659 0.762,660 62.805,661 1.002,662 1.135,663 3.34,664 11.159,665 0.642,666 3.871,667 4.19,668 4.454,669 4.745,670 4.997,671 5.118,672 5.303,673 5.468,674 5.631,675 5.778,676 10.153,677 0.61,678 573.77,679 3.871,680 5.416,681 6.263,682 7.14,683 8.005,684 8.889,685 9.765,686 10.654,687 11.537,688 12.432,689 8.6,692 1,695 1,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 1,729 1,731 81,733 19,734 2,735 47,737 86,738 31,739 15,740 4,741 8,746 6,747 7,751 1,755 6,756 1,758 6,761 16,762 15,763 1,766 1,771 1,775 1,781 39,782 11,783 2,784 11,790 7,794 0.833,795 4,808 1,811 1,812 5,813 1,836 1,839 2,840 5,844 2,848 42,854 10,855 2,856 3,858 3,859 2,870 4.9,873 1,874 2,875 1,877 20.333,878 14.833,879 9.139,880 4.99,881 3.328,882 1.374,883 0.973,884 9.275,885 12.237,886 4.06,887 4.58,888 5.077,889 5.63,890 6.174,891 6.431,892 6.866,893 7.246,894 7.569,895 7.933,896 1,897 65,898 15.61,900 6.659,901 7.591,902 30.424,904 25.444,905 2.091,906 87.833,910 435.531,911 152.582,912 92.627,914 58.145,917 152.582,918 493.675,919 92.627,920 16.793,921 71.227,922 75.81,923 97.501,924 35.847,925 6.175,926 435.531,928 435.531,929 245.208,930 58.145,933 346.018,934 130.314,935 22,937 76.251,938 113.945,939 50.357,941 435.531,942 150.771,943 152.582,946 435.531,947 59.979,948 98.851,949 36.022,950 108.501,951 435.531,952 150.771,953 152.582,955 0.577,956 0.325,957 0.178,958 0.098,959 31,960 13,961 0.105,962 9,963 2,964 1.094,965 5.306,966 424.807,967 0.125,968 31,969 206.477,974 28.965,975 13.449,976 7.275,978 150.771,979 14.956,980 14.862,984 5.221,986 36.022,987 738.884,988 57,993 12.658,997 -0.323,999 81.159,1000 91.969,1001 0.246,1002 0.561,1003 0.742,1004 0.822,1005 0.833,1006 0.837,1007 5.316,1008 2.116,1009 6.232,1010 6.383,1011 4.875,1012 5.268,1013 2.498,1014 7.018,1015 4.765,1016 6.472,1017 1.879,1018 7.768,1019 5.839,1020 4.369,1021 4.924,1022 1.404,1023 7.849,1024 4.221,1025 7.749,1026 1.828,1027 9.4,1028 5.163,1029 6.441,1030 7.306,1031 2.734,1032 10.955,1033 6.229,1034 9.054,1035 1.749,1036 11.093,1037 4.964,1038 6.758,1039 7.758,1040 2.382,1041 12.665,1042 6.503,1043 10.392,1044 1.371,1045 12.826,1046 4.493,1047 8.278,1048 9.639,1049 3.353,1050 15.282,1051 7.964,1052 11.751,1053 1.281,1054 14.589,1055 3.721,1056 8.999,1057 10.476,1058 3.421,1059 17.382,1060 8.631,1061 13.128,1062 1.087,1063 16.375,1064 2.871,1065 10.283,1066 12.128,1067 4.188,1068 19.84,1069 9.859,1070 3.22,1071 1.052,1072 18.18,1073 2.608,1074 11.21,1075 13.179,1076 4.467,1077 22.112,1078 10.723,1079 2.942,1080 11.296,1081 19.999,1082 2.303,1083 12.395,1084 14.71,1085 5.121,1086 24.524,1087 11.849,1088 2.755,1089 9.552,1090 21.831,1091 4.057,1092 13.427,1093 15.889,1094 5.504,1095 26.873,1096 12.813,1097 2.687,1098 8.657,1099 23.674,1100 3.656,1101 14.575,1102 17.352,1103 6.093,1104 29.276,1105 13.897,1106 2.506,1107 7.722,1108 25.526,1109 3.605,1110 15.661,1111 18.609,1112 6.531,1113 31.659,1114 14.91,1115 2.293,1116 7.197,1117 27.387,1118 3.19,1119 16.798,1120 20.035,1121 7.084,1122 34.064,1123 15.979,1124 2.19,1125 6.567,1126 29.254,1127 3.063,1128 17.912,1129 21.34,1130 7.551,1131 36.464,1132 17.019,1133 32558,1134 49814,1135 32.304,1136 52.04,1137 70.456,1138 71.561,1139 71.048,1140 69.963,1141 69.951,1142 84.183,1143 12.166,1144 197.513,1145 66.03,1146 5.431,1147 5.562,1148 6.619,1149 5.253,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.996,1155 16.684,1156 1.499,1157 1.523,1158 1.512,1159 1.489,1160 1.488,1161 1.791,1162 0.259,1163 4.202,1164 1.405,1165 4.05,1166 4.097,1167 3.999,1168 3.917,1169 7.431,1170 3.928,1171 3.925,1172 3.962,1173 3.865,1174 3.82,1175 5.072,1176 3.824,1177 3.893,1178 3.928,1179 3.819,1180 3.78,1181 4.857,1182 3.785,1183 3.824,1184 3.867,1185 3.723,1186 3.686,1187 4.7,1188 3.687,1189 3.662,1190 3.746,1191 3.523,1192 3.432,1193 4.626,1194 3.44,1195 3.58,1196 3.636,1197 3.506,1198 3.352,1199 4.591,1200 3.388,1201 3.401,1202 3.445,1203 3.343,1204 3.117,1205 4.413,1206 3.17,1207 3.206,1208 3.282,1209 3.033,1210 2.961,1211 4.222,1212 2.962,1213 0.094,1214 0.076,1215 0.145,1216 0.088,1217 0.069,1218 4.431,1219 0.086,1220 3.562,1221 0.035,1222 6.817,1223 0.24,1224 4.149,1225 0.064,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.996,1231 1.939,1232 1.908,1233 2.04,1234 2.081,1235 1.368,1236 2.065,1237 1.882,1238 1.856,1239 1.998,1240 2.012,1241 1.255,1242 2.006,1243 1.814,1244 1.772,1245 1.979,1246 1.958,1247 1.197,1248 1.966,1249 1.678,1250 1.628,1251 1.873,1252 1.908,1253 1.115,1254 1.896,1255 1.613,1256 1.543,1257 1.86,1258 1.867,1259 1.099,1260 1.875,1261 1.604,1262 1.531,1263 1.855,1264 1.76,1265 1.04,1266 1.798,1267 1.441,1268 1.389,1269 1.562,1270 1.702,1271 0.825,1272 1.663,1273 1.26,1274 1.209,1275 1.539,1276 1.565,1277 0.696,1278 1.538,1279 4.554,1281 5.872,1282 2.398,1283 7.378,1284 4.844,1285 8.971,1286 6.986,1287 10.613,1289 4.01,1295 8.302,1296 5.768,1297 17.112,1299 0.859,1300 4.41,1305 49.438,1306 126.166,1307 288.282,1308 380.799,1309 422.018,1310 428.018,1311 430.018,1312 72.257,1313 8.909,1314 113.97,1315 113.97,1316 35,1317 12.96,1318 4.322,1319 3.459,1320 62.006,1321 254,1322 312,1323 0.115,1324 298.044,1325 523.76,1326 718.987,1327 113295,1329 28.89,1330 0.688,1331 0.578,1332 28.89,1333 24.291,1334 20.513,1335 0.436,1336 0.314,1337 14.505,1338 19.514,1339 14.2,1340 11.687,1341 20.513,1342 14.775,1343 18.56,1344 0.286,1345 0.175,1346 18.56,1347 11.366,1348 15.214,1349 0.179,1350 0.094,1351 15.214,1352 8.019,1353 13.129,1354 0.115,1355 0.05,1356 13.129,1357 5.695,1358 10.797,1359 0.073,1360 0.026,1361 10.797,1362 3.85,1363 0.188,1364 129.887,1365 0.176,1366 38.142,1367 0.297,1368 224,1369 639.833,1370 250.723,1371 602.355,1372 828.81,1373 570,1374 262,1375 608.251,1376 289.116,1377 611.084,1378 898.97,1379 574,1380 6.057}
{0 CHEMBL1091360,1 1.565,2 16.907,3 3.48,4 12.11,5 164.632,6 7.144,7 0.367,8 4.524,9 4.657,10 4.069,11 3.986,12 5.515,13 3.981,14 5.127,15 5.318,16 4.449,17 4.414,18 6.104,19 4.382,20 5.41,21 5.647,22 4.498,23 4.594,24 6.29,25 4.522,26 5.437,27 5.691,28 4.434,29 4.563,30 6.353,31 4.47,32 5.368,33 5.627,34 4.428,35 4.499,36 6.367,37 4.43,38 5.249,39 5.471,40 4.427,41 4.482,42 6.193,43 4.424,44 5.281,45 5.496,46 4.441,47 4.567,48 6.207,49 4.496,50 5.432,51 5.646,52 4.433,53 4.701,54 6.32,55 4.57,56 0.042,57 1.308,58 18.46,59 6.782,60 9.754,61 9.853,62 0.648,63 2.126,64 37.219,65 11.749,66 48.415,67 17.191,68 0.712,69 2.591,70 51.272,71 15.01,72 53.264,73 23.382,74 0.613,75 2.567,76 53.322,77 15.924,78 65.221,79 24.898,80 0.858,81 2.41,82 50.413,83 13.538,84 91.747,85 21.867,86 0.459,87 2.307,88 42.615,89 12.953,90 49.327,91 20.011,92 0.763,93 2.412,94 43.708,95 13.661,96 51.396,97 20.769,98 0.416,99 2.626,100 49.931,101 20.73,102 59.344,103 28.996,104 5,105 69,106 0.237,107 0.53,108 0.701,109 0.788,110 0.823,111 0.827,112 3.788,113 0.938,114 -4.26,115 -4.2,116 -3.97,119 37.8,120 1,121 2,125 9,127 3,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 7,178 2,179 1,180 4,183 6,186 2,187 9,190 1,192 4,195 4,198 3,199 17,204 5,211 4,212 10,215 1,217 6,224 13,227 2,229 3,232 7,236 5,237 2,240 1,245 14,249 2,250 4,253 5,254 1,258 14,263 9,271 2,275 4229,276 29.825,277 29.825,278 29.825,279 29.825,280 29.825,281 27.663,282 49.291,283 17.644,284 30.745,285 24.262,286 24.262,287 24.262,288 24.262,289 24.262,290 20.88,291 78.404,292 8.439,293 25.778,294 4.793,295 2.854,296 1.719,297 1.144,298 0.912,299 0.887,300 4.513,306 1649,307 3.391,310 109.972,311 922.445,312 150.176,318 2.666,319 37.845,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 93.5,331 727,332 4.439,333 3.562,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.164,342 3.466,343 6.472,344 3.932,345 3.002,346 3.703,347 0.86,348 10.061,349 2.814,350 4.142,351 3.26,352 6.143,353 3.827,354 2.877,355 3.614,356 0.86,357 9.057,358 2.736,359 4.042,360 3.108,361 6.139,362 3.775,363 2.814,364 3.205,365 0.8,366 9.031,367 2.682,368 3.858,369 2.867,370 5.566,371 3.573,372 2.619,373 3.116,374 0.8,375 7.625,376 2.489,377 3.691,378 2.553,379 5.369,380 3.36,381 2.404,382 2.968,383 0.8,384 6.964,385 2.294,386 3.47,387 2.484,388 5.284,389 3.147,390 2.202,391 2.643,392 0.4,393 6.599,394 2.074,395 3.303,396 2.321,397 5.086,398 2.921,399 1.942,400 2.482,401 0.247,402 5.839,403 1.89,404 3.089,405 2.269,406 4.957,407 2.851,408 1.88,409 2.199,411 5.451,412 1.822,413 2.945,414 2.016,415 4.682,416 2.795,417 1.879,418 2,420 5.117,421 1.719,422 2.879,423 2.013,424 4.413,425 2.699,426 1.732,427 1.879,428 4.398,429 1.667,430 2.762,431 1.914,432 4.289,433 2.337,434 1.414,435 1.861,436 3.865,437 1.303,438 2.5,439 1.747,440 3.906,441 2.287,442 1.369,443 1.5,445 3.091,446 1.249,447 2.5,448 1.463,449 3.82,450 2.167,451 1.281,452 1.5,454 2.874,455 1.12,456 2.414,457 1.45,458 3.58,459 2.077,460 1.148,461 1.414,463 2.698,464 1.063,465 20.1,466 0.467,467 0.914,468 0.021,469 53,470 1.233,471 22,472 0.512,473 31,474 0.721,475 43.582,476 1.014,477 47.7,478 0.582,479 44.226,480 1.029,481 10.016,482 0.233,483 11.086,484 0.258,485 0.041,487 0.333,493 0.901,494 1.634,495 0.809,496 1.258,497 0.661,498 1.047,499 1.094,500 1.087,501 0.971,502 0.992,503 0.672,504 0.971,505 1.095,506 1.082,507 1.024,508 0.966,509 0.868,510 0.972,511 0.965,512 1.153,513 0.97,514 1.047,515 0.89,516 1.012,517 1.048,518 0.909,519 0.945,520 0.788,521 1.418,522 0.823,523 1.034,524 1.203,525 0.988,526 1.043,527 1.177,528 1.002,529 0.949,530 0.887,531 1.142,532 0.948,533 0.787,534 1.033,535 0.488,536 1.152,537 1.071,538 1.454,539 0.618,540 1.384,541 7.5,542 0.169,543 4.444,544 2.563,545 1.392,546 1.604,547 1.168,548 0.613,549 0.401,550 0.443,551 38332,552 85636,553 2.21,554 47.6,556 29,559 3,561 7,564 1.814,565 2.132,566 3.913,567 0.756,573 128.324,574 1.565,575 3.504,576 4.638,577 5.214,578 5.446,579 5.47,580 3.309,581 4.868,582 5.395,583 4.211,584 3802.54,585 9.531,586 72407.7,591 521.319,592 1.155,593 5.384,594 0.153,595 0.004,596 0.064,597 0.036,598 0.021,599 0.024,600 0.017,601 0.009,602 0.006,603 0.01,604 0.346,605 0.17,606 0.63,607 0.332,608 251.384,609 -0.046,610 -0.339,611 0.085,612 -0.129,613 -0.012,614 -0.019,615 0.054,616 0.078,618 0.02,619 0.109,620 -0.006,621 -0.094,622 -0.017,623 -0.044,624 0.015,625 -0.028,626 -0.001,627 -0.044,628 -0.144,629 0.011,630 -0.065,631 0.031,632 -0.027,633 -0.022,634 0.127,635 0.056,636 0.148,637 -0.049,638 0.126,639 -0.101,640 -0.094,641 -0.025,642 -0.04,643 -0.094,644 -0.021,645 -0.052,646 0.275,647 -0.192,648 0.058,649 -0.072,650 -0.057,651 0.16,652 -0.107,653 -0.166,654 -0.325,655 0.11,656 -0.306,657 1.962,658 5.756,659 0.884,660 60.187,661 1.002,662 1.138,663 3.029,664 9.178,665 0.644,666 3.912,667 4.248,668 4.554,669 4.852,670 5.1,671 5.209,672 5.403,673 5.58,674 5.72,675 5.883,676 9.898,677 0.613,678 585.79,679 3.912,680 5.468,681 6.333,682 7.219,683 8.097,684 8.988,685 9.872,686 10.767,687 11.656,688 12.554,689 11,691 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 82,733 19,734 2,735 49,737 88,738 31,739 15,740 4,741 8,746 7,747 8,751 1,752 1,755 5,758 5,761 16,762 15,766 1,771 1,775 1,781 39,782 12,783 3,784 12,790 9,794 0.857,795 3,808 1,811 1,812 6,813 1,835 1,839 2,840 6,844 1,848 43,854 11,855 3,856 2,858 3,859 3,870 3.7,873 1,874 2,877 20.167,878 14.617,879 9.278,880 5.165,881 3.395,882 1.369,883 0.999,884 8.527,885 12.59,886 4.094,887 4.62,888 5.137,889 5.691,890 6.228,891 6.499,892 6.941,893 7.325,894 7.627,895 7.997,896 0.909,897 71,898 15.997,900 6.934,901 7.554,902 31.338,904 26.723,905 2.054,906 88.333,910 423.76,911 140.46,912 113.762,914 47.145,917 140.46,918 470.904,919 113.762,920 8.825,921 69.989,922 93.821,923 97.501,924 23.157,925 8.074,926 423.76,928 423.76,929 254.222,930 47.145,933 343.69,934 107.543,935 22,937 100.623,938 100.915,939 50.357,941 423.76,942 160.906,943 140.46,946 423.76,947 55.825,948 94.008,949 54.032,950 97.501,951 423.76,952 160.906,953 140.46,955 0.582,956 0.343,957 0.192,958 0.104,959 35,960 14,961 0.068,962 6,963 2,964 1.079,965 5.371,966 454.589,967 0.105,968 37,969 215.329,974 28.593,975 12.824,976 6.385,978 160.906,979 15.607,980 14.847,984 5.447,986 54.032,987 725.126,988 59,993 12.756,997 -0.295,999 82.152,1000 93.341,1001 0.246,1002 0.551,1003 0.73,1004 0.82,1005 0.857,1006 0.86,1007 5.364,1008 1.942,1009 6.308,1010 6.599,1011 4.934,1012 5.308,1013 2.481,1014 7.12,1015 4.818,1016 6.52,1017 1.88,1018 7.861,1019 5.839,1020 4.443,1021 4.966,1022 1.494,1023 7.999,1024 4.276,1025 7.803,1026 1.879,1027 9.512,1028 5.451,1029 6.526,1030 7.346,1031 2.695,1032 11.119,1033 6.292,1034 9.114,1035 1.732,1036 11.225,1037 5.117,1038 6.878,1039 7.813,1040 2.41,1041 12.862,1042 6.581,1043 10.46,1044 1.414,1045 12.977,1046 4.398,1047 8.399,1048 9.681,1049 3.334,1050 15.483,1051 8.039,1052 11.827,1053 1.369,1054 14.758,1055 3.865,1056 9.152,1057 10.533,1058 3.427,1059 17.591,1060 8.721,1061 13.211,1062 1.281,1063 16.56,1064 3.091,1065 10.436,1066 12.174,1067 4.182,1068 20.046,1069 9.943,1070 3.226,1071 1.148,1072 18.378,1073 2.874,1074 11.385,1075 13.236,1076 4.469,1077 22.312,1078 10.815,1079 3.002,1080 11.305,1081 20.209,1082 2.698,1083 12.57,1084 14.758,1085 5.119,1086 24.716,1087 11.936,1088 2.877,1089 10.061,1090 22.05,1091 4.06,1092 13.614,1093 15.943,1094 5.505,1095 27.053,1096 12.902,1097 2.814,1098 9.057,1099 23.9,1100 3.703,1101 14.761,1102 17.4,1103 6.093,1104 29.445,1105 13.981,1106 2.619,1107 9.031,1108 25.756,1109 3.614,1110 15.851,1111 18.661,1112 6.531,1113 31.816,1114 14.992,1115 2.404,1116 7.625,1117 27.619,1118 3.205,1119 16.987,1120 20.083,1121 7.084,1122 34.21,1123 16.056,1124 2.202,1125 6.964,1126 29.487,1127 3.116,1128 18.101,1129 21.39,1130 7.551,1131 36.599,1132 17.092,1133 34425,1134 51682,1135 34.096,1136 52.836,1137 74.004,1138 75.072,1139 74.942,1140 73.54,1141 73.546,1142 87.774,1143 12.846,1144 211.805,1145 69.344,1146 5.439,1147 5.562,1148 6.621,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 12.914,1156 1.51,1157 1.532,1158 1.529,1159 1.501,1160 1.501,1161 1.791,1162 0.262,1163 4.323,1164 1.415,1165 4.051,1166 4.101,1167 4.001,1168 3.915,1169 7.431,1170 3.926,1171 3.951,1172 3.999,1173 3.89,1174 3.843,1175 5.079,1176 3.847,1177 3.901,1178 3.942,1179 3.824,1180 3.777,1181 4.767,1182 3.784,1183 3.82,1184 3.873,1185 3.728,1186 3.624,1187 4.7,1188 3.642,1189 3.715,1190 3.785,1191 3.598,1192 3.524,1193 4.633,1194 3.53,1195 3.59,1196 3.647,1197 3.522,1198 3.369,1199 4.601,1200 3.404,1201 3.385,1202 3.432,1203 3.329,1204 3.108,1205 4.37,1206 3.159,1207 3.264,1208 3.351,1209 3.037,1210 3.084,1211 4.077,1212 3.063,1213 0.091,1214 0.073,1215 0.139,1216 0.085,1217 0.066,1218 4.439,1219 0.083,1220 3.562,1221 0.034,1222 6.819,1223 0.231,1224 4.152,1225 0.061,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.936,1232 1.904,1233 2.044,1234 2.081,1235 1.275,1236 2.065,1237 1.913,1238 1.878,1239 2.017,1240 2.058,1241 1.255,1242 2.049,1243 1.774,1244 1.719,1245 1.956,1246 1.973,1247 1.245,1248 1.97,1249 1.682,1250 1.627,1251 1.889,1252 1.914,1253 1.196,1254 1.901,1255 1.676,1256 1.607,1257 1.86,1258 1.88,1259 1.1,1260 1.885,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.037,1266 1.798,1267 1.451,1268 1.398,1269 1.64,1270 1.704,1271 0.894,1272 1.668,1273 1.292,1274 1.21,1275 1.533,1276 1.542,1277 0.825,1278 1.563,1279 4.595,1281 5.927,1282 2.398,1283 7.456,1284 4.844,1285 9.072,1286 6.986,1287 10.733,1289 2.132,1295 9.512,1296 9.228,1297 11.484,1299 0.737,1300 6.879,1305 50.239,1306 128.324,1307 287.329,1308 380.326,1309 427.545,1310 446.564,1311 448.564,1312 66.124,1313 9.195,1314 120.01,1315 120.01,1316 41,1317 13.079,1318 4.322,1319 3.459,1320 58.494,1321 255,1322 292,1323 0.108,1324 300.243,1325 524.61,1326 724.352,1327 162615,1329 29.175,1330 0.678,1331 0.571,1332 29.175,1333 24.537,1334 21.102,1335 0.431,1336 0.313,1337 15.038,1338 20.093,1339 14.796,1340 12.109,1341 21.102,1342 15.313,1343 19.055,1344 0.276,1345 0.169,1346 19.055,1347 11.646,1348 16.528,1349 0.176,1350 0.093,1351 16.528,1352 8.716,1353 14.463,1354 0.114,1355 0.05,1356 14.463,1357 6.381,1358 11.871,1359 0.073,1360 0.026,1361 11.871,1362 4.292,1363 0.175,1364 133.346,1365 0.171,1366 38.667,1367 0.28,1368 236,1369 642.076,1370 264.425,1371 609.331,1372 850.55,1373 578,1374 281,1375 638.501,1376 310.566,1377 639.178,1378 949.05,1379 604,1380 6.544}
{0 CHEMBL1091455,1 1.629,2 8.696,3 2.01,4 4.04,5 84.213,6 8.809,7 0.615,8 3.722,9 3.795,10 3.42,11 3.279,12 5.011,13 3.31,14 4.183,15 4.29,16 3.829,17 3.674,18 5.464,19 3.705,20 4.382,21 4.491,22 3.882,23 3.744,24 5.738,25 3.763,26 4.441,27 4.598,28 3.803,29 3.675,30 5.915,31 3.671,32 4.281,33 4.422,34 3.503,35 3.506,36 5.555,37 3.483,38 4.192,39 4.384,40 3.481,41 3.391,42 5.523,43 3.368,44 4.015,45 4.157,46 3.408,47 3.293,48 5.367,49 3.306,50 3.971,51 4.114,52 3.271,53 3.228,54 5.301,55 3.214,56 0.143,57 0.48,58 5.02,59 3.007,60 14.894,61 2.856,62 0.239,63 0.784,64 9.044,65 4.723,66 15.349,67 4.789,68 0.431,69 0.891,70 12.085,71 6.013,72 43.683,73 5.923,74 0.699,75 0.94,76 15.602,77 6.37,78 81.159,79 7.16,80 0.476,81 0.766,82 12.901,83 5.63,84 46.961,85 5.476,86 0.468,87 0.712,88 14.057,89 5.477,90 55.619,91 6.747,92 0.365,93 0.596,94 10.277,95 4.227,96 39.162,97 4.279,98 0.325,99 0.583,100 9.148,101 3.991,102 36.737,103 4.044,104 17,105 39,106 0.292,107 0.698,108 0.822,109 0.874,110 0.894,111 0.894,112 3.19,113 0.802,114 -2.79,115 -2.8,116 -2.72,119 48.6,124 1,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,161 1,172 4,174 1,175 8,180 4,183 6,186 1,187 6,195 3,199 7,202 3,203 1,204 2,207 3,211 1,212 2,217 1,220 3,223 2,224 3,227 1,229 2,232 3,236 1,237 3,242 2,245 3,250 2,253 1,255 2,258 2,263 1,266 2,268 2,271 1,275 635,276 15.378,277 15.378,278 15.378,279 15.378,280 15.378,281 13.111,282 14.067,283 8.75,284 15.692,285 12.828,286 12.828,287 12.828,288 12.828,289 12.828,290 9.313,291 17.072,292 4.153,293 13.364,294 3.5,295 1.233,296 0.536,297 0.25,298 0.136,299 0.136,300 3.883,303 1,304 1,305 1,306 442,307 2.449,310 84.167,311 109.878,314 163.219,318 1.214,319 32.121,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 51,331 200,332 4.661,333 3.759,334 6.879,335 4.252,336 3.275,337 4.609,338 0.86,339 11.425,340 3.2,341 4.57,342 3.194,343 6.717,344 4.122,345 3.157,346 4.247,348 10.906,349 3.052,350 3.913,351 2.921,352 5.764,353 3.461,354 2.495,355 3.354,357 7.755,358 2.405,359 3.516,360 2.581,361 5.416,362 3.085,363 2.127,364 2.871,366 6.531,367 2.029,368 3.356,369 2.298,370 5.14,371 2.928,372 1.996,373 2.691,375 6.016,376 1.85,377 3.295,378 2.175,379 4.964,380 2.833,381 1.879,382 2.583,384 5.52,385 1.786,386 3.175,387 1.954,388 4.762,389 2.722,390 1.755,391 2.402,393 4.974,394 1.684,395 2.758,396 1.753,397 4.232,398 2.244,399 1.266,400 1.804,402 3.384,403 1.226,404 2.635,405 1.219,406 3.606,407 2.128,408 1.164,409 1.607,411 2.784,412 1.11,413 2.301,414 0.977,415 3.574,416 1.846,417 0.904,418 1.216,420 2.267,421 0.847,422 1.445,423 0.716,424 2.984,425 0.965,426 -0.016,427 -0.023,428 -0.046,429 -0.016,430 1.175,431 0.118,432 2.724,433 0.76,434 -0.19,435 -0.243,436 -0.501,437 -0.177,438 0.87,439 -0.071,440 2.522,441 0.475,442 -0.473,443 -0.586,445 -1.207,446 -0.435,447 0.788,448 -0.263,449 2.363,450 0.37,451 -0.572,452 -0.73,454 -1.349,455 -0.536,456 0.663,457 -0.447,458 2.23,459 0.216,460 -0.71,461 -0.883,463 -1.775,464 -0.652,465 10.633,466 0.462,467 0.716,468 0.031,469 34,470 1.478,471 18.5,472 0.804,473 15.5,474 0.674,475 14.255,476 0.62,477 23.567,478 0.673,479 24.979,480 1.086,481 6.869,482 0.299,483 4.173,484 0.181,485 0.141,487 0.461,493 0.898,494 1.13,495 0.675,496 0.899,497 0.834,498 0.764,499 0.821,500 0.928,501 0.649,502 0.854,503 0.596,504 0.719,505 1.038,506 1.214,507 0.939,508 1.124,509 0.989,510 1.034,511 0.722,512 0.946,513 0.923,514 0.998,515 0.671,516 0.997,517 1.337,518 1.044,519 1.331,520 1.149,521 1.327,522 1.226,523 0.702,524 0.884,525 0.743,526 0.894,527 0.748,528 0.856,529 1.252,530 0.95,531 0.968,532 0.863,533 1.167,534 0.849,535 1.171,536 1.17,537 1.202,538 1.136,539 1.431,540 1.176,541 5,542 0.037,543 2.889,544 3.181,545 1.152,546 0.862,547 0.398,548 0.386,549 0.246,550 0.149,551 5494,552 17373,553 2.115,554 34.3,556 8,557 1,558 1,559 2,564 1.659,565 1.944,566 3.101,567 0.321,569 1,571 1,573 57.018,574 1.629,575 3.896,576 4.593,577 4.879,578 4.993,579 4.993,580 2.459,581 4.176,582 4.5,583 3.22,584 814.768,585 7.755,586 8971.99,587 1,588 1,590 1,591 179.525,592 1.491,593 4.44,594 0.192,595 0.006,596 0.074,597 0.082,598 0.034,599 0.034,600 0.016,601 0.016,602 0.012,603 0.011,604 0.477,605 0.5,606 1,607 0.636,608 105.683,609 -0.139,610 -0.094,612 0.037,613 -0.164,614 0.052,615 -0.073,616 0.143,617 0.098,618 0.072,619 0.003,620 0.131,621 -0.068,622 -0.231,623 -0.1,624 -0.174,625 -0.087,626 -0.155,627 0.269,628 0.047,629 0.054,630 -0.039,631 0.305,632 -0.037,633 -0.233,634 -0.109,635 -0.368,636 -0.175,637 -0.258,638 -0.283,639 0.222,640 0.043,641 0.33,642 0.115,643 0.205,644 0.215,645 -0.162,646 0.008,647 -0.001,648 0.108,649 -0.08,650 0.095,651 -0.161,652 -0.193,653 -0.266,654 -0.181,655 -0.21,656 -0.245,657 2.085,658 5.419,659 0.783,660 15.104,661 1.027,662 1.112,663 1.561,664 2.437,665 0.704,666 3.296,667 3.689,668 4.025,669 4.369,670 4.543,671 4.644,672 4.771,673 4.913,674 4.963,675 5.011,676 5.227,677 0.701,678 308.31,679 3.296,680 4.875,681 5.765,682 6.686,683 7.59,684 8.514,685 9.424,686 10.348,687 11.26,688 12.184,689 5.7,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,728 2,729 1,731 35,733 18,734 1,735 26,737 38,738 17,739 13,740 4,741 2,742 3,746 4,747 6,761 16,762 1,766 2,771 1,773 1,775 2,777 1,778 1,781 12,782 5,783 2,784 6,790 2,794 0.5,795 4,805 1,807 1,811 2,812 2,815 2,831 2,840 2,844 1,848 23,853 2,856 1,870 11.4,872 2,873 1,875 1,877 11.833,878 6.717,879 4.861,880 1.922,881 3.916,882 1.525,883 0.982,884 3.01,885 11.378,886 3.611,887 4.314,888 4.991,889 5.648,890 6.164,891 6.528,892 6.935,893 7.383,894 7.668,895 8.084,896 0.833,897 39,898 8.509,900 3.843,901 8.043,902 15.642,904 13.138,905 2.543,906 58.5,910 117.711,911 100.152,912 18.685,914 121.512,917 100.152,918 239.223,919 18.685,920 8.396,922 56.429,923 151.16,924 36.134,925 11.771,926 94.169,928 117.711,929 118.837,930 121.512,933 117.711,934 121.512,937 12.662,938 74.67,939 31.505,941 117.711,942 140.196,943 100.152,946 117.711,947 26.28,948 75.772,950 138.297,951 117.711,952 140.196,953 100.152,955 0.6,956 0.365,957 0.212,958 0.108,959 22,960 10,961 0.026,962 1,963 2,964 1.222,965 3.455,966 197.938,967 0.222,968 18,969 104.042,974 14,975 4.945,976 2.133,977 1.685,978 138.297,979 9.697,980 4.295,984 0.539,985 1.859,986 85.367,987 358.059,988 36,993 12.419,995 1.614,997 -0.323,999 35.931,1000 38.91,1001 0.318,1002 0.76,1003 0.896,1004 0.951,1005 0.974,1006 0.974,1007 4.875,1008 1.266,1009 5.79,1010 4.974,1011 4.369,1012 5.001,1013 0.908,1014 6.678,1015 4.293,1016 6.138,1017 1.164,1018 7.398,1019 3.384,1020 4.111,1021 4.987,1023 7.695,1024 4.001,1025 7.487,1026 0.904,1027 9.104,1028 2.784,1029 6.038,1030 7.326,1031 0.739,1032 10.851,1033 5.903,1034 8.874,1035 -0.016,1036 10.867,1037 2.267,1038 6.581,1039 8.127,1041 12.706,1042 6.42,1043 10.292,1044 -0.19,1045 12.666,1046 -0.046,1047 8.025,1048 9.966,1049 0.593,1050 15.383,1051 7.84,1052 11.734,1053 -0.473,1054 14.49,1055 -0.501,1056 8.931,1057 11.152,1059 17.581,1060 8.722,1061 13.196,1062 -0.572,1063 16.334,1064 -1.207,1065 10.196,1066 12.792,1067 0.469,1068 20.092,1069 9.964,1070 3.275,1071 -0.71,1072 18.193,1073 -1.349,1074 11.259,1075 14.156,1077 22.427,1078 11.002,1079 3.157,1080 11.425,1081 20.064,1082 -1.775,1083 12.461,1084 15.715,1085 0.366,1086 24.879,1087 12.18,1088 2.495,1089 10.906,1090 21.944,1091 4.609,1092 13.588,1093 17.159,1095 27.265,1096 13.282,1097 2.127,1098 7.755,1099 23.832,1100 4.247,1101 14.768,1102 18.687,1103 0.283,1104 29.696,1105 14.438,1106 1.996,1107 6.531,1108 25.726,1109 3.354,1110 15.922,1111 20.168,1113 32.103,1114 15.566,1115 1.879,1116 6.016,1117 27.625,1118 2.871,1119 17.095,1120 21.684,1121 0.217,1122 34.527,1123 16.715,1124 1.755,1125 5.52,1126 29.528,1127 2.691,1128 18.26,1129 23.182,1131 36.942,1132 17.854,1133 5210,1134 9389,1135 17.224,1136 24.636,1137 40.788,1138 41.812,1139 42.108,1140 40.103,1141 40.036,1142 54.769,1143 1.72,1144 123.123,1145 38.376,1146 5.481,1147 5.759,1148 6.558,1149 5.32,1150 5.275,1151 7.609,1152 1.72,1153 18.647,1154 5.2,1155 11.677,1156 1.569,1157 1.608,1158 1.62,1159 1.542,1160 1.54,1161 2.107,1162 0.066,1163 4.735,1164 1.476,1165 4.137,1166 4.171,1167 4.108,1168 4.029,1169 7.428,1170 4.044,1171 3.97,1172 3.973,1173 3.947,1174 3.869,1175 6.492,1176 3.886,1177 3.509,1178 3.539,1179 3.455,1180 3.392,1181 6.445,1182 3.401,1183 3.411,1184 3.462,1185 3.308,1186 3.23,1187 5.033,1188 3.243,1189 3.083,1190 3.127,1191 2.985,1192 2.897,1193 4.753,1194 2.906,1195 2.974,1196 2.991,1197 2.877,1198 2.755,1199 4.355,1200 2.777,1201 2.714,1202 2.802,1203 2.595,1204 2.563,1205 4.11,1206 2.555,1207 2.684,1208 2.74,1209 2.519,1210 2.462,1211 3.9,1212 2.465,1213 0.179,1214 0.145,1215 0.265,1216 0.164,1217 0.126,1218 4.661,1219 0.177,1220 3.759,1221 0.033,1222 6.879,1223 0.439,1224 4.252,1225 0.123,1226 3.275,1227 4.609,1228 0.86,1229 11.425,1230 3.2,1231 1.889,1232 1.865,1233 1.968,1234 2.01,1235 1.082,1236 1.997,1237 1.848,1238 1.84,1239 1.911,1240 1.952,1241 1.033,1242 1.937,1243 1.651,1244 1.61,1245 1.794,1246 1.832,1247 0.885,1248 1.824,1249 1.374,1250 1.332,1251 1.563,1252 1.583,1253 0.616,1254 1.57,1255 1.064,1256 1.036,1257 1.224,1258 1.261,1259 0.277,1260 1.248,1261 0.859,1262 0.846,1263 1.053,1264 1.11,1265 0.152,1266 1.075,1267 0.785,1268 0.761,1269 1.028,1270 1.098,1271 0.094,1272 1.062,1273 0.731,1274 0.636,1275 0.974,1276 0.96,1278 0.981,1279 3.97,1281 5.342,1282 3.045,1283 6.903,1284 5.533,1285 8.552,1286 7.719,1287 10.249,1289 1.868,1294 19.342,1297 5.505,1305 24.536,1306 57.018,1307 136.364,1308 160.77,1309 170.77,1310 174.77,1311 174.77,1312 42.006,1313 7.462,1314 88.49,1315 88.49,1316 22,1317 12.692,1318 4.248,1319 3.459,1320 31.815,1321 73,1322 63,1323 0.221,1324 147.494,1325 253.92,1326 351.645,1327 16715,1329 16.137,1330 0.702,1331 0.528,1332 16.137,1333 12.147,1334 11.042,1335 0.425,1336 0.267,1337 6.827,1338 10.553,1339 6.678,1340 5.508,1341 11.042,1342 6.946,1343 10.567,1344 0.271,1345 0.137,1346 10.567,1347 5.348,1348 9.128,1349 0.166,1350 0.069,1351 9.128,1352 3.788,1353 8.423,1354 0.108,1355 0.036,1356 8.423,1357 2.777,1358 6.295,1359 0.068,1360 0.019,1361 6.295,1362 1.761,1363 0.336,1364 69.912,1365 0.241,1366 22.09,1367 0.633,1368 130,1369 427.061,1370 144.376,1371 408.999,1372 559.12,1373 380,1374 159,1375 419.251,1376 174.571,1377 422.484,1378 624.85,1379 397,1380 7.114}
{0 CHEMBL1091456,1 1.535,2 10.138,3 3.528,4 12.449,5 109.35,6 8.542,7 0.667,8 3.954,9 4.031,10 3.635,11 3.557,12 5.205,13 3.568,14 4.42,15 4.529,16 4.038,17 3.96,18 5.653,19 3.966,20 4.645,21 4.768,22 4.117,23 4.069,24 5.915,25 4.059,26 4.718,27 4.872,28 4.111,29 4.064,30 6.093,31 4.039,32 4.671,33 4.816,34 3.974,35 4.022,36 5.875,37 3.983,38 4.681,39 4.868,40 3.962,41 3.981,42 5.897,43 3.932,44 4.604,45 4.781,46 3.883,47 3.891,48 5.808,49 3.857,50 4.564,51 4.745,52 3.769,53 3.802,54 5.776,55 3.76,56 0.103,57 0.58,58 6.785,59 3.88,60 13.699,61 3.986,62 0.181,63 0.963,64 11.951,65 6.202,66 14.494,67 6.703,68 0.369,69 1.146,70 16.845,71 8.217,72 43.417,73 8.851,74 0.648,75 1.254,76 20.282,77 8.912,78 83.123,79 10.43,80 0.426,81 1.184,82 18.665,83 8.523,84 48.578,85 9.113,86 0.465,87 1.246,88 20.849,89 8.834,90 58.296,91 10.912,92 0.398,93 1.132,94 19.351,95 8.048,96 43.388,97 9.254,98 0.428,99 1.062,100 19.331,101 7.897,102 50.137,103 8.941,104 17,105 49,106 0.258,107 0.61,108 0.767,109 0.85,110 0.875,111 0.875,112 3.409,113 0.82,114 -3.93,115 -3.88,116 -3.68,119 51.1,124 1,135 1,138 1,142 8,143 5,144 3,145 1,151 1,157 1,161 1,172 11,174 1,175 8,180 4,183 16,186 1,187 6,195 13,199 9,202 3,203 1,204 2,207 11,211 1,212 6,217 1,220 9,223 2,224 8,227 1,229 2,232 6,236 1,237 8,242 2,245 5,250 6,253 1,255 2,258 5,263 4,266 2,268 3,271 6,275 1278,276 19.654,277 19.654,278 19.654,279 19.654,280 19.654,281 16.706,282 14.067,283 11.327,284 19.968,285 16.305,286 16.305,287 16.305,288 16.305,289 16.305,290 11.785,291 17.072,292 5.385,293 16.838,294 3.956,295 1.857,296 0.922,297 0.434,298 0.283,299 0.283,300 4.117,303 1,304 1,305 1,306 655,307 2.646,310 108.787,311 219.022,314 211.029,318 1.334,319 34.287,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 63,331 294,332 4.749,333 3.76,334 6.999,335 4.3,336 3.322,337 4.726,338 0.86,339 11.953,340 3.252,341 4.589,342 3.31,343 6.871,344 4.213,345 3.235,346 4.249,348 11.39,349 3.164,350 4.059,351 2.922,352 6.064,353 3.656,354 2.675,355 3.642,357 8.684,358 2.622,359 3.91,360 2.695,361 5.764,362 3.457,363 2.492,364 3.354,366 7.754,367 2.399,368 3.516,369 2.578,370 5.39,371 3.084,372 2.124,373 2.885,375 6.48,376 2.029,377 3.414,378 2.298,379 5.14,380 2.943,381 1.997,382 2.81,384 6.007,385 1.902,386 3.313,387 2.164,388 4.971,389 2.889,390 1.924,391 2.587,393 5.53,394 1.828,395 3.175,396 1.973,397 4.834,398 2.727,399 1.759,400 2.402,402 5.12,403 1.688,404 2.878,405 1.758,406 4.239,407 2.417,408 1.451,409 2.03,411 3.61,412 1.4,413 2.756,414 1.488,415 4.223,416 2.243,417 1.266,418 1.803,420 3.382,421 1.226,422 2.622,423 1.208,424 3.698,425 2.116,426 1.15,427 1.594,428 2.824,429 1.1,430 2.5,431 1,432 3.505,433 2,434 1,435 1.5,436 2.417,437 1,438 2.363,439 0.986,440 3.247,441 1.897,442 0.939,443 1.292,445 2.136,446 0.896,447 1.449,448 0.72,449 3.047,450 0.977,451 -0.003,452 -0.004,454 -0.009,455 -0.003,456 1.177,457 0.124,458 2.725,459 0.763,460 -0.189,461 -0.242,463 -0.498,464 -0.176,465 13.633,466 0.47,467 0.819,468 0.028,469 43.5,470 1.5,471 24.5,472 0.845,473 19,474 0.655,475 19.825,476 0.684,477 28.967,478 0.644,479 34.632,480 1.194,481 8.758,482 0.302,483 5.267,484 0.182,485 0.11,487 0.433,493 0.865,494 1.046,495 0.687,496 0.862,497 0.82,498 0.762,499 0.791,500 0.916,501 0.699,502 0.867,503 0.592,504 0.772,505 0.966,506 1.112,507 0.905,508 1.044,509 0.936,510 0.981,511 0.652,512 0.977,513 0.858,514 0.975,515 0.623,516 0.957,517 1.14,518 1.102,519 1.168,520 1.089,521 1.107,522 1.13,523 0.646,524 1.061,525 0.891,526 1.015,527 0.633,528 1.006,529 1.027,530 1.029,531 0.986,532 0.98,533 0.843,534 0.971,535 1.162,536 0.995,537 1.073,538 1.002,539 1.208,540 1.016,541 5.5,542 0.134,543 3.333,544 3.583,545 1.534,546 1.244,547 0.61,548 0.548,549 0.401,550 0.288,551 10385,552 30249,553 2.15,554 35.6,556 12,557 1,558 1,559 2,564 1.724,565 2,566 3.307,567 0.194,569 1,573 69.091,574 1.535,575 3.635,576 4.569,577 5.058,578 5.208,579 5.208,580 2.677,581 4.513,582 4.833,583 3.439,584 1396.23,585 8.442,586 18124.2,588 1,590 1,591 247.133,592 1.44,593 4.786,594 0.167,595 0.007,596 0.068,597 0.07,598 0.031,599 0.029,600 0.015,601 0.014,602 0.012,603 0.01,604 0.422,605 0.5,606 0.88,607 0.562,608 144.42,609 -0.105,610 -0.046,611 0.014,612 0.05,613 -0.148,614 0.054,615 -0.044,616 0.121,617 0.063,618 0.046,619 0.003,620 0.078,621 -0.017,622 -0.141,623 -0.046,624 -0.095,625 -0.053,626 -0.082,627 0.293,628 0.016,629 0.081,630 -0.012,631 0.305,632 -0.006,633 -0.152,634 -0.125,635 -0.253,636 -0.131,637 -0.176,638 -0.201,639 0.155,640 -0.051,641 0.091,642 -0.041,643 0.138,644 -0.002,645 -0.069,646 -0.028,647 0.004,648 -0.009,649 -0.005,650 0.009,651 -0.102,652 -0.022,653 -0.045,654 -0.015,655 -0.094,656 -0.018,657 2.098,658 5.774,659 0.828,660 23.382,661 1.016,662 1.105,663 2.698,664 7.277,665 0.715,666 3.526,667 3.912,668 4.263,669 4.625,670 4.852,671 4.984,672 5.159,673 5.323,674 5.434,675 5.537,676 6.02,677 0.702,678 384.41,679 3.526,680 5.106,681 5.999,682 6.921,683 7.831,684 8.759,685 9.676,686 10.605,687 11.526,688 12.457,689 4.4,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,728 2,729 1,731 45,733 24,734 2,735 33,737 49,738 23,739 19,740 5,741 7,742 3,746 5,747 7,761 22,762 1,766 2,771 1,773 1,775 2,778 1,781 16,782 5,783 2,784 6,790 2,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 1,848 29,853 2,856 1,870 8.9,872 2,873 1,875 1,877 14.5,878 8.55,879 6.167,880 2.547,881 4.987,882 1.603,883 1.007,884 4.016,885 13.264,886 3.85,887 4.546,888 5.234,889 5.914,890 6.487,891 6.89,892 7.376,893 7.864,894 8.253,895 8.701,896 0.857,897 51,898 10.737,900 4.827,901 7.908,902 20.019,904 16.934,905 2.408,906 69.833,909 1,910 164.795,911 144.428,912 18.685,914 121.512,917 144.428,918 286.307,919 18.685,920 8.396,922 94.334,923 151.16,924 42.505,925 11.771,926 141.253,928 164.795,929 163.113,930 121.512,933 164.795,934 121.512,937 12.662,938 118.946,939 31.505,941 164.795,942 140.196,943 144.428,946 164.795,947 32.651,948 113.677,950 138.297,951 164.795,952 140.196,953 144.428,955 0.594,956 0.362,957 0.214,958 0.115,959 27,960 12,961 0.041,962 2,963 2,964 1.167,965 3.947,966 280.161,967 0.167,968 24,969 136.881,974 17.679,975 6.588,976 2.832,977 1.676,978 138.297,979 17.959,980 4.481,984 2.515,985 1.893,986 85.367,987 449.42,988 46,993 12.774,995 1.648,997 -0.351,999 45.698,1000 49.741,1001 0.28,1002 0.662,1003 0.832,1004 0.921,1005 0.948,1006 0.948,1007 5.109,1008 1.759,1009 6.014,1010 5.53,1011 4.595,1012 5.234,1013 0.908,1014 6.905,1015 4.535,1016 6.363,1017 1.451,1018 7.619,1019 5.12,1020 4.29,1021 5.156,1023 7.936,1024 4.199,1025 7.706,1026 1.266,1027 9.326,1028 3.61,1029 6.26,1030 7.547,1031 0.739,1032 11.112,1033 6.153,1034 9.088,1035 1.15,1036 11.092,1037 3.382,1038 6.781,1039 8.309,1041 13.002,1042 6.651,1043 10.503,1044 1,1045 12.898,1046 2.824,1047 8.246,1048 10.178,1049 0.593,1050 15.699,1051 8.101,1052 11.944,1053 0.939,1054 14.731,1055 2.417,1056 9.145,1057 11.346,1059 17.938,1060 8.978,1061 13.405,1062 -0.003,1063 16.584,1064 2.136,1065 10.423,1066 13.005,1067 0.469,1068 20.478,1069 10.24,1070 3.322,1071 -0.189,1072 18.454,1073 -0.009,1074 11.488,1075 14.368,1077 22.853,1078 11.283,1079 3.235,1080 11.953,1081 20.336,1082 -0.498,1083 12.7,1084 15.945,1085 0.366,1086 25.341,1087 12.477,1088 2.675,1089 11.39,1090 22.228,1091 4.726,1092 13.834,1093 17.399,1095 27.77,1096 13.59,1097 2.492,1098 8.684,1099 24.129,1100 4.249,1101 15.026,1102 18.945,1103 0.283,1104 30.24,1105 14.762,1106 2.124,1107 7.754,1108 26.036,1109 3.642,1110 16.19,1111 20.443,1113 32.69,1114 15.905,1115 1.997,1116 6.48,1117 27.948,1118 3.354,1119 17.376,1120 21.98,1121 0.217,1122 35.157,1123 17.07,1124 1.924,1125 6.007,1126 29.865,1127 2.885,1128 18.553,1129 23.498,1131 37.616,1132 18.226,1133 9657,1134 16652,1135 22.194,1136 32.159,1137 51.555,1138 52.423,1139 52.832,1140 50.774,1141 50.669,1142 69.748,1143 1.72,1144 154.574,1145 49.011,1146 5.569,1147 5.76,1148 6.801,1149 5.367,1150 5.322,1151 7.726,1152 1.72,1153 19.351,1154 5.252,1155 13.749,1156 1.562,1157 1.589,1158 1.601,1159 1.539,1160 1.535,1161 2.114,1162 0.052,1163 4.684,1164 1.485,1165 4.163,1166 4.193,1167 4.137,1168 4.074,1169 7.428,1170 4.085,1171 3.976,1172 3.976,1173 3.953,1174 3.881,1175 6.492,1176 3.896,1177 3.843,1178 3.879,1179 3.775,1180 3.767,1181 6.445,1182 3.766,1183 3.5,1184 3.522,1185 3.45,1186 3.382,1187 5.035,1188 3.392,1189 3.398,1190 3.453,1191 3.3,1192 3.228,1193 4.757,1194 3.241,1195 3.084,1196 3.128,1197 2.991,1198 2.905,1199 4.716,1200 2.915,1201 2.976,1202 2.992,1203 2.887,1204 2.763,1205 4.347,1206 2.784,1207 2.865,1208 2.93,1209 2.732,1210 2.735,1211 4.104,1212 2.721,1213 0.144,1214 0.114,1215 0.212,1216 0.13,1217 0.101,1218 4.749,1219 0.143,1220 3.76,1221 0.026,1222 6.999,1223 0.362,1224 4.3,1225 0.099,1226 3.322,1227 4.726,1228 0.86,1229 11.953,1230 3.252,1231 1.994,1232 1.973,1233 2.074,1234 2.069,1235 1.211,1236 2.07,1237 1.851,1238 1.846,1239 1.912,1240 1.952,1241 1.038,1242 1.937,1243 1.751,1244 1.722,1245 1.86,1246 1.892,1247 0.945,1248 1.886,1249 1.651,1250 1.608,1251 1.791,1252 1.809,1253 0.885,1254 1.807,1255 1.367,1256 1.327,1257 1.554,1258 1.571,1259 0.612,1260 1.56,1261 1.064,1262 1.037,1263 1.223,1264 1.261,1265 0.278,1266 1.248,1267 0.886,1268 0.848,1269 1.181,1270 1.111,1271 0.218,1272 1.107,1273 0.872,1274 0.821,1275 1.083,1276 1.101,1277 0.159,1278 1.075,1279 4.205,1281 5.572,1282 3.045,1283 7.135,1284 5.533,1285 8.79,1286 7.727,1287 10.495,1289 1.891,1294 19.697,1297 5.65,1305 31.59,1306 69.091,1307 163.57,1308 205.624,1309 227.624,1310 234.379,1311 234.379,1312 52.517,1313 8.277,1314 88.49,1315 88.49,1316 28,1317 12.96,1318 4.644,1319 3.807,1320 39.416,1321 104,1322 101,1323 0.185,1324 188.872,1325 326.54,1326 452.608,1327 47589,1329 20.121,1330 0.694,1331 0.533,1332 20.121,1333 15.456,1334 14.025,1335 0.425,1336 0.273,1337 8.904,1338 13.537,1339 8.702,1340 7.187,1341 14.025,1342 9.024,1343 13.189,1344 0.269,1345 0.141,1346 13.189,1347 6.896,1348 11.511,1349 0.164,1350 0.071,1351 11.511,1352 4.995,1353 10.675,1354 0.106,1355 0.037,1356 10.675,1357 3.724,1358 8.399,1359 0.066,1360 0.02,1361 8.399,1362 2.493,1363 0.284,1364 87.811,1365 0.212,1366 26.92,1367 0.532,1368 164,1369 495.061,1370 178.376,1371 480.369,1372 664.46,1373 448,1374 201,1375 502.251,1376 216.571,1377 509.419,1378 754.53,1379 480,1380 7.201}
{0 CHEMBL1091491,1 1.572,2 11.667,3 2.326,4 5.408,5 126.945,6 7.569,7 0.432,8 4.193,9 4.303,10 3.778,11 3.71,12 5.311,13 3.706,14 4.75,15 4.926,16 4.179,17 4.135,18 5.802,19 4.121,20 4.995,21 5.168,22 4.296,23 4.302,24 6.131,25 4.264,26 5.14,27 5.346,28 4.257,29 4.329,30 6.303,31 4.268,32 5.08,33 5.286,34 4.127,35 4.313,36 6.096,37 4.219,38 5.132,39 5.386,40 4.092,41 4.281,42 6.036,43 4.169,44 5.033,45 5.287,46 4.086,47 4.169,48 6.022,49 4.095,50 4.908,51 5.107,52 4.069,53 4.111,54 6.013,55 4.062,56 0.058,57 0.875,58 11.784,59 5.3,60 10.796,61 6.749,62 0.325,63 1.453,64 23.497,65 8.583,66 24.136,67 11.5,68 0.396,69 1.739,70 30.592,71 11.782,72 48.539,73 15.479,74 0.823,75 1.892,76 38.52,77 13.225,78 114.14,79 17.524,80 0.573,81 1.827,82 35.191,83 13.168,84 65.769,85 17.68,86 0.565,87 1.893,88 39.15,89 13.668,90 58.092,91 19.78,92 0.566,93 1.697,94 36.067,95 11.747,96 57.674,97 16.859,98 0.475,99 1.498,100 30.079,101 10.605,102 57.957,103 13.977,104 39,105 55,106 0.253,107 0.621,108 0.782,109 0.827,110 0.832,111 0.832,112 3.532,113 0.893,114 -3.39,115 -3.37,116 -3.22,119 42.4,121 2,122 1,124 3,125 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,158 1,161 1,172 6,174 2,175 14,180 2,183 6,186 1,187 11,192 1,195 3,198 2,199 8,202 2,204 1,207 7,211 3,212 2,217 1,220 8,223 3,224 6,229 1,232 6,236 2,237 10,242 1,245 4,250 8,253 1,258 1,262 4,263 9,266 2,268 1,271 4,275 1991,276 22.068,277 22.068,278 22.068,279 22.068,280 22.068,281 19.752,282 28.318,283 12.507,284 22.537,285 18.196,286 18.196,287 18.196,288 18.196,289 18.196,290 14.466,291 37.412,292 5.854,293 18.932,294 4.31,295 2.025,296 1.026,297 0.75,298 0.716,299 0.716,300 4.235,304 1,305 1,306 842,307 3.606,310 132.709,311 269.106,314 257.655,318 1.96,319 38.925,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 72,331 385,332 4.738,333 3.797,334 7,335 4.29,336 3.32,337 4.707,338 1.94,339 11.953,340 3.224,341 4.567,342 3.756,343 6.862,344 4.197,345 3.221,346 4.204,347 0.86,348 11.345,349 3.139,350 4.075,351 3.374,352 6.288,353 3.906,354 2.919,355 3.285,356 0.8,357 9.222,358 2.88,359 3.877,360 2.893,361 6.056,362 3.567,363 2.632,364 3.256,365 0.555,366 8.63,367 2.461,368 3.825,369 2.817,370 5.735,371 3.36,372 2.397,373 3.199,375 7.613,376 2.299,377 3.385,378 2.571,379 5.374,380 2.999,381 2.047,382 2.701,384 6.315,385 1.944,386 3.279,387 2.237,388 5.074,389 2.935,390 1.972,391 2.523,393 5.752,394 1.904,395 3.184,396 2.147,397 4.948,398 2.874,399 1.913,400 2.277,402 5.427,403 1.805,404 2.931,405 1.968,406 4.77,407 2.613,408 1.68,409 2.058,411 4.797,412 1.564,413 2.834,414 1.81,415 4.404,416 2.412,417 1.436,418 1.879,420 3.902,421 1.395,422 2.67,423 1.749,424 4.158,425 2.184,426 1.21,427 1.737,428 3.269,429 1.176,430 2.543,431 1.342,432 3.716,433 2.07,434 1.101,435 1.464,436 2.708,437 1.058,438 2.353,439 1.25,440 3.56,441 1.984,442 1,443 1.278,445 2.372,446 0.983,447 2.063,448 1.138,449 3.414,450 1.953,451 0.992,452 1,454 2.275,455 0.94,456 2,457 1.077,458 3.216,459 1.679,460 0.653,461 0.813,463 1.504,464 0.659,465 15.433,466 0.468,467 0.998,468 0.03,469 42.5,470 1.288,471 20,472 0.606,473 22.5,474 0.682,475 30.012,476 0.909,477 35.567,478 0.603,479 35.815,480 1.085,481 8.316,482 0.252,483 7.53,484 0.228,485 0.162,487 0.434,493 0.785,494 1.451,495 0.753,496 1.142,497 0.638,498 0.974,499 0.862,500 0.914,501 0.774,502 0.801,503 0.55,504 0.75,505 0.939,506 1.211,507 0.92,508 1.131,509 0.848,510 1.037,511 1.135,512 0.92,513 1.036,514 0.937,515 1.259,516 0.962,517 0.943,518 1.068,519 1.128,520 1.122,521 0.966,522 1.159,523 0.611,524 1.009,525 0.893,526 0.998,527 0.564,528 0.993,529 0.831,530 0.865,531 0.801,532 0.805,533 0.561,534 0.787,535 1.211,536 1.088,537 0.984,538 1.011,539 1.192,540 0.971,541 6.5,542 0.221,543 4.667,544 3.833,545 1.774,546 1.345,547 0.835,548 0.694,549 0.588,550 0.415,551 14983,552 39889,553 2.094,554 44.1,556 18,557 1,558 1,559 1,560 1,561 4,564 1.755,565 1.922,566 3.5,567 -0.352,569 1,573 92.768,574 1.572,575 3.858,576 4.857,577 5.132,578 5.166,579 5.166,580 2.923,581 4.802,582 5.013,583 3.698,584 1952.52,585 8.799,586 28359.4,588 1,591 347.076,592 1.501,593 4.959,594 0.176,595 0.007,596 0.085,597 0.065,598 0.032,599 0.028,600 0.018,601 0.015,602 0.013,603 0.01,604 0.449,605 0.5,606 0.88,607 0.906,608 173.364,609 -0.049,610 -0.267,611 0.06,612 -0.084,613 -0.05,614 -0.012,615 -0.033,616 0.236,617 0.126,618 0.182,619 0.036,620 0.195,621 -0.002,622 -0.158,624 -0.117,625 0.039,626 -0.065,627 -0.016,628 0.078,629 -0.048,630 0.039,631 -0.006,633 -0.058,634 -0.061,635 -0.183,636 -0.118,637 -0.098,638 -0.169,639 0.093,640 -0.035,641 0.081,642 -0.016,643 0.029,644 0.023,645 0.033,646 0.113,647 0.202,648 0.154,649 0.101,650 0.206,651 -0.102,652 -0.101,653 -0.003,654 -0.021,655 -0.086,656 -0.001,657 2.006,658 5.884,659 0.727,660 33.778,661 1.007,662 1.125,663 2.159,664 4.659,665 0.665,666 3.638,667 4.025,668 4.369,669 4.682,670 4.905,671 5.037,672 5.257,673 5.442,674 5.565,675 5.704,676 7.036,677 0.64,678 446.55,679 3.638,680 5.22,681 6.111,682 7.026,683 7.933,684 8.852,685 9.765,686 10.686,687 11.604,688 12.527,689 6.8,695 1,696 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 59,733 19,734 1,735 37,737 63,738 25,739 13,740 3,741 3,742 3,746 5,747 7,755 2,756 1,758 2,761 17,762 8,763 1,766 3,771 2,773 1,775 3,778 1,781 26,782 7,783 1,784 8,790 4,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,827 1,831 2,840 3,844 3,848 33,853 1,854 4,856 1,858 1,859 2,870 6.8,872 1,873 2,875 1,877 17.167,878 11.667,879 7.056,880 3.538,881 4.107,882 1.477,883 0.982,884 5.569,885 12.713,886 3.892,887 4.53,888 5.178,889 5.792,890 6.323,891 6.706,892 7.182,893 7.646,894 7.991,895 8.424,896 0.875,897 59,898 12.289,900 5.43,901 7.818,902 23.346,904 19.788,905 2.318,906 76.5,909 1,910 294.278,911 133.687,912 24.933,914 103.973,917 133.687,918 398.251,919 24.933,920 25.189,921 12.405,922 56.429,923 138.327,924 42.015,925 11.771,926 270.735,928 294.278,929 158.62,930 103.973,933 247.193,934 151.057,937 25.067,938 102.048,939 31.505,941 294.278,942 128.906,943 133.687,946 294.278,947 43.022,948 98.813,950 120.759,951 294.278,952 128.906,953 133.687,955 0.599,956 0.368,957 0.199,958 0.103,959 29,960 14,961 0.048,962 3,963 2,964 1.167,965 4.245,966 327.52,967 0.167,968 24,969 160.465,974 21.838,975 8.416,976 3.762,977 1.734,978 127.007,979 10.495,980 4.551,984 2.301,985 1.928,986 42.683,987 556.871,988 48,993 25.259,995 1.72,997 0.011,999 59.436,1000 66.398,1001 0.267,1002 0.656,1003 0.826,1004 0.872,1005 0.878,1006 0.878,1007 5.176,1008 1.913,1009 6.133,1010 5.752,1011 4.71,1012 5.218,1013 2.315,1014 7.022,1015 4.637,1016 6.409,1017 1.68,1018 7.746,1019 5.427,1020 4.443,1021 5.173,1022 1.738,1023 8.069,1024 4.337,1025 7.745,1026 1.436,1027 9.459,1028 4.797,1029 6.382,1030 7.471,1031 3.044,1032 11.218,1033 6.25,1034 9.12,1035 1.21,1036 11.229,1037 3.902,1038 6.929,1039 8.276,1040 3.144,1041 13.101,1042 6.772,1043 10.529,1044 1.101,1045 13.035,1046 3.269,1047 8.37,1048 10.086,1049 4.149,1050 15.779,1051 8.188,1052 11.964,1053 1,1054 14.866,1055 2.708,1056 9.274,1057 11.284,1058 4.541,1059 18.003,1060 9.07,1061 13.419,1062 0.992,1063 16.717,1064 2.372,1065 10.536,1066 12.912,1067 5.385,1068 20.528,1069 10.307,1070 3.32,1071 0.653,1072 18.582,1073 2.275,1074 11.595,1075 14.292,1076 5.912,1077 22.891,1078 11.342,1079 3.221,1080 11.953,1081 20.458,1082 1.504,1083 12.794,1084 15.854,1085 6.67,1086 25.367,1087 12.516,1088 2.919,1089 11.345,1090 22.344,1091 4.707,1092 13.919,1093 17.317,1094 7.263,1095 27.787,1096 13.616,1097 2.632,1098 9.222,1099 24.237,1100 4.204,1101 15.099,1102 18.856,1103 7.976,1104 30.25,1105 14.771,1106 2.397,1107 8.63,1108 26.136,1109 3.285,1110 16.254,1111 20.357,1112 8.602,1113 32.694,1114 15.898,1115 2.047,1116 7.613,1117 28.041,1118 3.256,1119 17.43,1120 21.891,1121 9.292,1122 35.155,1123 17.048,1124 1.972,1125 6.315,1126 29.95,1127 3.199,1128 18.598,1129 23.41,1130 9.936,1131 37.61,1132 18.188,1133 14150,1134 23280,1135 24.391,1136 39.216,1137 57.94,1138 59.775,1139 60.017,1140 57.099,1141 56.988,1142 72.761,1143 8.312,1144 174.169,1145 54.863,1146 5.738,1147 5.797,1148 6.535,1149 5.355,1150 5.32,1151 7.707,1152 3.348,1153 19.356,1154 5.224,1155 18.942,1156 1.566,1157 1.616,1158 1.622,1159 1.543,1160 1.54,1161 1.967,1162 0.225,1163 4.707,1164 1.483,1165 4.157,1166 4.192,1167 4.129,1168 4.046,1169 7.429,1170 4.062,1171 3.969,1172 3.975,1173 3.941,1174 3.873,1175 7.425,1176 3.887,1177 3.867,1178 3.92,1179 3.77,1180 3.717,1181 6.468,1182 3.721,1183 3.573,1184 3.65,1185 3.477,1186 3.399,1187 5.025,1188 3.409,1189 3.482,1190 3.518,1191 3.403,1192 3.292,1193 4.799,1194 3.312,1195 3.392,1196 3.453,1197 3.271,1198 3.21,1199 4.397,1200 3.217,1201 3.111,1202 3.206,1203 2.98,1204 2.941,1205 4.304,1206 2.911,1207 3.092,1208 3.156,1209 2.901,1210 2.904,1211 4.242,1212 2.91,1213 0.128,1214 0.103,1215 0.189,1216 0.116,1217 0.09,1218 4.738,1219 0.127,1220 3.797,1221 0.052,1222 7,1223 0.323,1224 4.29,1225 0.087,1226 3.32,1227 4.707,1228 1.94,1229 11.953,1230 3.224,1231 1.939,1232 1.905,1233 2.067,1234 2.084,1235 1.42,1236 2.08,1237 1.86,1238 1.847,1239 1.945,1240 1.952,1241 1.095,1242 1.948,1243 1.783,1244 1.742,1245 1.908,1246 1.95,1247 1.047,1248 1.94,1249 1.652,1250 1.61,1251 1.795,1252 1.834,1253 0.885,1254 1.825,1255 1.482,1256 1.399,1257 1.764,1258 1.753,1259 0.84,1260 1.76,1261 1.367,1262 1.32,1263 1.559,1264 1.575,1265 0.825,1266 1.565,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.642,1272 1.429,1273 1.067,1274 1.035,1275 1.417,1276 1.291,1277 0.515,1278 1.308,1279 4.317,1281 5.687,1282 3.045,1283 7.249,1284 5.533,1285 8.898,1286 7.727,1287 10.594,1289 5.519,1294 10.095,1295 3.118,1297 5.776,1299 0.043,1300 3.949,1305 37.74,1306 92.768,1307 227.611,1308 286.547,1309 302.811,1310 304.811,1311 304.811,1312 67.824,1313 8.605,1314 91.81,1315 91.81,1316 28,1317 13.034,1318 4.322,1319 3.585,1320 47.727,1321 135,1322 148,1323 0.169,1324 227.5,1325 399.32,1326 546.86,1327 72865,1329 23.275,1330 0.705,1331 0.573,1332 23.275,1333 18.908,1334 15.846,1335 0.428,1336 0.298,1337 10.828,1338 15.152,1339 10.506,1340 8.695,1341 15.846,1342 11.012,1343 14.923,1344 0.271,1345 0.16,1346 14.923,1347 8.808,1348 13.228,1349 0.17,1350 0.083,1351 13.228,1352 6.452,1353 11.302,1354 0.106,1355 0.045,1356 11.302,1357 4.782,1358 8.992,1359 0.067,1360 0.025,1361 8.992,1362 3.313,1363 0.263,1364 100.059,1365 0.202,1366 30.312,1367 0.471,1368 184,1369 541.937,1370 202.65,1371 518.38,1372 711.66,1373 484,1374 225,1375 531.787,1376 246.398,1377 537.654,1378 795.75,1379 504,1380 7.523}
{0 CHEMBL1091492,1 1.56,2 13.194,3 2.897,4 8.395,5 135.104,6 8.162,7 0.537,8 4.213,9 4.302,10 3.863,11 3.778,12 5.38,13 3.785,14 4.745,15 4.88,16 4.256,17 4.189,18 5.883,19 4.189,20 4.969,21 5.121,22 4.352,23 4.33,24 6.161,25 4.308,26 5.036,27 5.204,28 4.312,29 4.336,30 6.299,31 4.297,32 4.996,33 5.166,34 4.206,35 4.305,36 6.17,37 4.245,38 4.978,39 5.178,40 4.167,41 4.278,42 6.026,43 4.203,44 4.946,45 5.151,46 4.146,47 4.193,48 6.043,49 4.139,50 4.851,51 5.031,52 4.108,53 4.111,54 6.03,55 4.079,56 0.092,57 0.816,58 9.968,59 5.31,60 12.737,61 5.978,62 0.381,63 1.382,64 20.234,65 8.691,66 26.07,67 9.957,68 0.545,69 1.649,70 27.103,71 11.574,72 50.994,73 13.639,74 0.69,75 1.734,76 30.549,77 12.467,78 98.283,79 14.821,80 0.653,81 1.66,82 29.387,83 12.269,84 80.249,85 14.608,86 0.435,87 1.678,88 29.465,89 12.465,90 48.257,91 16.177,92 0.486,93 1.585,94 30.089,95 11.854,96 51.886,97 15.097,98 0.518,99 1.428,100 26.503,101 10.391,102 59.62,103 12.406,104 17,105 60,106 0.248,107 0.613,108 0.777,109 0.831,110 0.848,111 0.848,112 3.616,113 0.855,114 -3.78,115 -3.74,116 -3.56,119 47.5,124 1,125 4,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 13,174 2,175 10,180 2,183 16,186 2,187 11,192 1,195 14,199 13,202 2,204 1,207 11,211 2,212 10,217 1,220 10,223 2,224 12,229 1,232 7,236 1,237 14,242 1,245 6,250 10,253 1,255 1,258 6,262 4,263 8,266 1,268 2,271 8,275 2544,276 24.637,277 24.637,278 24.637,279 24.637,280 24.637,281 21.674,282 20.822,283 14.224,284 25.16,285 20.216,286 20.216,287 20.216,288 20.216,289 20.216,290 15.558,291 23.323,292 6.711,293 21.025,294 4.322,295 2.029,296 0.996,297 0.657,298 0.555,299 0.555,300 4.332,305 1,306 1065,307 3.24,310 148.216,311 417.918,314 286.574,318 2.15,319 43.123,322 1,323 0.67,324 1,325 0.6,326 0.5,327 1,328 1,329 0.82,330 78.5,331 475,332 4.749,333 3.756,334 7,335 4.298,336 3.32,337 4.726,338 1.2,339 11.953,340 3.252,341 4.569,342 3.694,343 6.862,344 4.2,345 3.221,346 4.204,347 0.86,348 11.345,349 3.155,350 4.268,351 3.31,352 6.393,353 3.955,354 2.972,355 3.834,356 0.86,357 9.674,358 2.919,359 3.99,360 2.818,361 6.062,362 3.629,363 2.655,364 3.41,365 0.293,366 8.673,367 2.586,368 3.832,369 2.711,370 5.735,371 3.361,372 2.397,373 3.258,375 7.613,376 2.305,377 3.479,378 2.575,379 5.384,380 3.169,381 2.218,382 2.769,384 6.486,385 2.1,386 3.376,387 2.564,388 5.232,389 2.963,390 2,391 2.683,393 6.197,394 1.928,395 3.279,396 2.179,397 5.074,398 2.874,399 1.916,400 2.523,402 5.752,403 1.805,404 3.143,405 2.097,406 4.834,407 2.742,408 1.78,409 2.31,411 5.064,412 1.707,413 2.926,414 1.918,415 4.404,416 2.415,417 1.483,418 2.056,420 3.902,421 1.396,422 2.726,423 1.777,424 4.197,425 2.387,426 1.433,427 1.777,428 3.478,429 1.336,430 2.667,431 1.689,432 3.86,433 2.182,434 1.208,435 1.693,436 3.127,437 1.174,438 2.556,439 1.342,440 3.716,441 2.065,442 1.097,443 1.5,445 2.703,446 1.051,447 2.5,448 1.256,449 3.56,450 2,451 1,452 1.496,454 2.373,455 1,456 2.391,457 1.225,458 3.414,459 1.952,460 1,461 1.308,463 2.275,464 0.946,465 16.867,466 0.469,467 0.922,468 0.026,469 49.75,470 1.382,471 25.5,472 0.708,473 24.25,474 0.674,475 29.054,476 0.807,477 37.133,478 0.629,479 43.075,480 1.197,481 10.042,482 0.279,483 7.466,484 0.207,485 0.089,487 0.403,493 0.785,494 1.242,495 0.686,496 1.019,497 0.65,498 0.868,499 0.981,500 0.903,501 0.816,502 0.82,503 0.632,504 0.775,505 0.956,506 1.039,507 0.903,508 0.985,509 0.833,510 0.941,511 1.002,512 0.998,513 1.005,514 1.001,515 1.197,516 0.999,517 1.01,518 1.013,519 1.104,520 1.031,521 1.226,522 1.081,523 0.613,524 1.082,525 0.909,526 1.084,527 0.643,528 1.066,529 0.854,530 0.986,531 0.846,532 0.949,533 0.63,534 0.907,535 1.147,536 1.029,537 0.955,538 0.949,539 1.219,540 0.923,541 6,542 0.197,543 4.667,544 4.021,545 1.805,546 1.303,547 0.834,548 0.742,549 0.575,550 0.379,551 20733,552 57802,553 2.168,554 39,556 20,557 1,558 1,559 1,564 1.775,565 2.038,566 3.657,567 -0.383,573 92.064,574 1.56,575 3.854,576 4.887,577 5.226,578 5.327,579 5.327,580 3.126,581 4.781,582 5.139,583 3.857,584 2430.05,585 9.041,586 38026.8,591 347.076,592 1.382,593 5.107,594 0.146,595 0.005,596 0.078,597 0.063,598 0.03,599 0.024,600 0.016,601 0.015,602 0.012,603 0.008,604 0.397,605 0.5,606 0.75,607 0.496,608 195.574,609 -0.056,610 -0.168,611 0.053,612 -0.048,613 -0.068,614 0.009,615 -0.084,616 0.185,617 0.033,618 0.128,619 -0.018,620 0.116,621 -0.01,622 -0.026,623 0.002,624 -0.008,625 0.025,626 -0.001,627 -0.009,628 -0.003,629 -0.06,630 -0.021,631 0.025,632 -0.041,633 -0.065,634 -0.033,635 -0.165,636 -0.041,637 -0.131,638 -0.111,639 0.067,640 -0.096,641 0.034,642 -0.085,643 0.002,644 -0.045,645 0.002,646 -0.014,647 0.148,648 0.046,649 0.075,650 0.112,651 -0.101,652 -0.048,653 0.026,654 0.032,655 -0.08,656 0.048,657 2.031,658 5.932,659 0.833,660 41.426,661 1.013,662 1.113,663 2.549,664 6.496,665 0.693,666 3.738,667 4.111,668 4.466,669 4.787,670 5.017,671 5.124,672 5.338,673 5.525,674 5.666,675 5.817,676 7.746,677 0.676,678 481.54,679 3.738,680 5.313,681 6.205,682 7.114,683 8.019,684 8.934,685 9.845,686 10.763,687 11.678,688 12.598,689 5.1,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 59,733 25,734 2,735 41,737 64,738 28,739 19,740 5,741 7,742 4,746 6,747 8,761 23,762 5,766 3,771 2,773 1,775 3,781 23,782 7,783 1,784 8,790 3,794 0.667,795 5,805 1,807 1,811 2,812 4,815 2,831 2,839 1,840 4,844 1,848 36,853 1,854 4,856 2,859 1,870 8.5,872 1,873 2,874 1,875 1,877 17.667,878 11.133,879 7.722,880 3.518,881 5.217,882 1.577,883 1.017,884 5.689,885 14.261,886 4.025,887 4.675,888 5.35,889 5.99,890 6.557,891 6.959,892 7.485,893 7.982,894 8.403,895 8.874,896 0.889,897 64,898 13.386,900 5.975,901 7.833,902 25.271,904 21.419,905 2.333,906 84,910 258.964,911 165.715,912 21.809,914 114.973,917 165.715,918 373.937,919 21.809,920 8.396,921 16.52,922 94.334,923 149.327,924 45.691,925 11.771,926 235.422,928 258.964,929 187.524,930 114.973,933 258.964,934 103.973,935 11,937 29.182,938 126.836,939 31.505,941 258.964,942 136.782,943 165.715,946 258.964,947 53.937,948 116.801,950 131.759,951 258.964,952 136.782,953 165.715,955 0.592,956 0.365,957 0.206,958 0.109,959 32,960 14,961 0.047,962 3,963 2,964 1.133,965 4.606,966 371.202,967 0.133,968 30,969 178.117,974 22.682,975 9.028,976 3.952,977 1.606,978 134.883,979 17.845,980 4.537,984 3.639,985 1.894,986 42.683,987 561.461,988 55,993 25.777,995 1.686,997 -0.23,999 59.778,1000 65.694,1001 0.265,1002 0.655,1003 0.831,1004 0.888,1005 0.906,1006 0.906,1007 5.291,1008 1.916,1009 6.209,1010 6.197,1011 4.796,1012 5.364,1013 1.923,1014 7.086,1015 4.73,1016 6.521,1017 1.78,1018 7.808,1019 5.752,1020 4.443,1021 5.255,1022 0.325,1023 8.106,1024 4.365,1025 7.854,1026 1.483,1027 9.511,1028 5.064,1029 6.45,1030 7.633,1031 1.905,1032 11.267,1033 6.338,1034 9.226,1035 1.433,1036 11.273,1037 3.902,1038 6.948,1039 8.391,1040 0.653,1041 13.141,1042 6.832,1043 10.635,1044 1.208,1045 13.075,1046 3.478,1047 8.424,1048 10.241,1049 1.99,1050 15.821,1051 8.277,1052 12.069,1053 1.097,1054 14.904,1055 3.127,1056 9.302,1057 11.404,1058 1.001,1059 18.039,1060 9.148,1061 13.523,1062 1,1063 16.753,1064 2.703,1065 10.58,1066 13.049,1067 2.144,1068 20.563,1069 10.4,1070 3.32,1071 1,1072 18.617,1073 2.373,1074 11.626,1075 14.405,1076 1.37,1077 22.922,1078 11.434,1079 3.221,1080 11.953,1081 20.492,1082 2.275,1083 12.831,1084 15.972,1085 2.352,1086 25.396,1087 12.617,1088 2.972,1089 11.345,1090 22.377,1091 4.726,1092 13.95,1093 17.419,1094 1.754,1095 27.812,1096 13.719,1097 2.655,1098 9.674,1099 24.27,1100 4.204,1101 15.132,1102 18.959,1103 2.601,1104 30.273,1105 14.88,1106 2.397,1107 8.673,1108 26.168,1109 3.834,1110 16.283,1111 20.451,1112 2.143,1113 32.713,1114 16.012,1115 2.218,1116 7.613,1117 28.072,1118 3.41,1119 17.459,1120 21.984,1121 2.879,1122 35.172,1123 17.168,1124 2,1125 6.486,1126 29.981,1127 3.258,1128 18.626,1129 23.499,1130 2.535,1131 37.625,1132 18.314,1133 18938,1134 31797,1135 27.857,1136 40.904,1137 63.621,1138 65.899,1139 65.269,1140 62.861,1141 62.808,1142 82.937,1143 6.426,1144 189.045,1145 60.584,1146 5.749,1147 5.756,1148 6.801,1149 5.402,1150 5.32,1151 7.726,1152 2.293,1153 19.357,1154 5.252,1155 16.087,1156 1.552,1157 1.607,1158 1.592,1159 1.533,1160 1.532,1161 2.023,1162 0.157,1163 4.611,1164 1.478,1165 4.167,1166 4.197,1167 4.141,1168 4.079,1169 7.43,1170 4.09,1171 3.973,1172 3.977,1173 3.945,1174 3.885,1175 7.426,1176 3.897,1177 3.912,1178 3.946,1179 3.86,1180 3.808,1181 6.468,1182 3.815,1183 3.735,1184 3.784,1185 3.63,1186 3.535,1187 5.035,1188 3.551,1189 3.493,1190 3.523,1191 3.431,1192 3.383,1193 4.8,1194 3.39,1195 3.403,1196 3.454,1197 3.312,1198 3.235,1199 4.677,1200 3.247,1201 3.17,1202 3.206,1203 3.108,1204 2.961,1205 4.604,1206 2.989,1207 3.111,1208 3.188,1209 2.943,1210 2.941,1211 4.382,1212 2.91,1213 0.116,1214 0.092,1215 0.171,1216 0.105,1217 0.081,1218 4.749,1219 0.115,1220 3.756,1221 0.029,1222 7,1223 0.292,1224 4.298,1225 0.079,1226 3.32,1227 4.726,1228 1.2,1229 11.953,1230 3.252,1231 2.002,1232 1.984,1233 2.074,1234 2.082,1235 1.235,1236 2.079,1237 1.861,1238 1.849,1239 1.945,1240 1.977,1241 1.181,1242 1.961,1243 1.794,1244 1.766,1245 1.923,1246 1.951,1247 1.051,1248 1.947,1249 1.661,1250 1.617,1251 1.837,1252 1.871,1253 0.96,1254 1.864,1255 1.652,1256 1.601,1257 1.791,1258 1.804,1259 0.885,1260 1.803,1261 1.371,1262 1.331,1263 1.555,1264 1.573,1265 0.825,1266 1.561,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.617,1272 1.429,1273 1.068,1274 1.047,1275 1.236,1276 1.317,1277 0.3,1278 1.274,1279 4.419,1281 5.778,1282 3.045,1283 7.336,1284 5.533,1285 8.983,1286 7.727,1287 10.675,1289 1.892,1294 10.124,1295 2.302,1297 11.124,1300 1.805,1305 39.906,1306 92.064,1307 227.359,1308 288.321,1309 308.321,1310 314.321,1311 314.321,1312 67.903,1313 9.045,1314 97.8,1315 97.8,1316 34,1317 13.108,1318 4.7,1319 3.907,1320 49.023,1321 163,1322 186,1323 0.142,1324 237.304,1325 417.83,1326 570.781,1327 130875,1329 24.811,1330 0.689,1331 0.544,1332 24.811,1333 19.601,1334 17.508,1335 0.427,1336 0.285,1337 11.502,1338 16.783,1339 11.273,1340 9.24,1341 17.508,1342 11.688,1343 16.077,1344 0.268,1345 0.147,1346 16.077,1347 8.824,1348 14.57,1349 0.169,1350 0.077,1351 14.57,1352 6.589,1353 12.803,1354 0.108,1355 0.04,1356 12.803,1357 4.786,1358 10.302,1359 0.069,1360 0.022,1361 10.302,1362 3.239,1363 0.224,1364 110.285,1365 0.189,1366 32.833,1367 0.389,1368 202,1369 618.027,1370 221.78,1371 588.392,1372 810.32,1373 552,1374 247,1375 601.311,1376 268.835,1377 606.487,1378 902.52,1379 572,1380 7.31}
{0 CHEMBL1091534,1 1.69,2 8.739,3 3.893,4 15.152,5 85.866,6 9.931,7 0.615,8 3.678,9 3.728,10 3.462,11 3.294,12 5.01,13 3.317,14 4.102,15 4.161,16 3.895,17 3.695,18 5.446,19 3.714,20 4.339,21 4.429,22 3.93,23 3.75,24 5.712,25 3.754,26 4.364,27 4.488,28 3.859,29 3.646,30 5.867,31 3.637,32 4.211,33 4.339,34 3.679,35 3.455,36 5.559,37 3.448,38 4.046,39 4.192,40 3.492,41 3.347,42 5.439,43 3.327,44 3.919,45 4.039,46 3.496,47 3.274,48 5.269,49 3.278,50 3.895,51 4.025,52 3.502,53 3.23,54 5.343,55 3.213,56 0.194,57 0.394,58 3.488,59 2.721,60 22.859,61 2.276,62 0.224,63 0.618,64 4.815,65 4.219,66 19.225,67 3.914,68 0.527,69 0.764,70 11.553,71 5.837,72 52.663,73 5.199,74 0.729,75 0.805,76 13.009,77 6.194,78 80.245,79 6.28,80 0.588,81 0.667,82 12.107,83 5.403,84 61.304,85 4.749,86 0.462,87 0.582,88 12.58,89 4.821,90 56.139,91 5.193,92 0.386,93 0.511,94 8.481,95 3.937,96 40.447,97 3.623,98 0.372,99 0.504,100 8.478,101 3.897,102 40.121,103 3.855,104 17,105 39,106 0.306,107 0.663,108 0.797,109 0.887,110 0.913,111 0.913,112 3.189,113 0.823,114 -3.14,115 -3.13,116 -3.01,119 51.5,135 1,136 1,142 5,143 2,144 5,152 2,154 1,172 4,175 6,180 5,183 9,187 4,190 1,192 1,195 7,199 2,202 2,203 2,204 5,207 5,211 1,212 2,217 2,220 5,224 2,227 1,228 1,229 3,232 3,237 3,242 3,245 3,250 1,253 1,255 4,258 4,266 1,268 2,271 3,275 642,276 15.326,277 15.326,278 15.326,279 15.326,280 15.326,281 13.019,282 14.923,283 8.674,284 15.616,285 12.827,286 12.827,287 12.827,288 12.827,289 12.827,290 9.256,291 15.622,292 4.139,293 13.385,294 3.355,295 1.38,296 0.64,297 0.144,300 3.883,301 1,303 1,304 1,305 1,306 444,307 2.449,310 85.276,311 110.546,314 164.524,318 1.251,319 33.653,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50.833,331 201,332 4.709,333 3.369,334 6.877,335 4.251,336 3.268,337 4.684,338 0.6,339 11.416,340 3.212,341 4.464,342 3.217,343 6.548,344 4.059,345 3.078,346 4.126,348 10.366,349 3.019,350 3.886,351 2.796,352 5.737,353 3.46,354 2.493,355 3.387,357 7.677,358 2.406,359 3.643,360 2.67,361 5.182,362 3.151,363 2.241,364 3.036,366 6.247,367 2.044,368 3.449,369 2.308,370 5.107,371 3.002,372 2.056,373 2.818,375 5.976,376 1.923,377 3.34,378 2.046,379 4.961,380 2.876,381 1.916,382 2.635,384 5.723,385 1.774,386 3.125,387 1.91,388 4.926,389 2.715,390 1.745,391 2.328,393 5.359,394 1.673,395 2.787,396 1.625,397 4.268,398 2.246,399 1.286,400 1.815,402 3.548,403 1.225,404 2.557,405 1.463,406 4.071,407 2.105,408 1.155,409 1.533,411 3.163,412 1.086,413 2.325,414 0.908,415 3.28,416 1.664,417 0.718,418 1.087,420 1.717,421 0.665,422 1.349,423 0.398,424 2.98,425 0.96,426 0.008,427 0.01,428 0.021,429 0.007,430 1.145,431 0.262,432 2.724,433 0.743,434 -0.183,435 -0.232,436 -0.472,437 -0.164,438 1.02,439 -0.066,440 2.511,441 0.536,442 -0.354,443 -0.466,445 -0.898,446 -0.271,447 0.772,448 -0.112,449 2.375,450 0.35,451 -0.543,452 -0.648,454 -1.329,455 -0.467,456 0.576,457 -0.493,458 2.259,459 0.158,460 -0.786,461 -1.015,463 -2.137,464 -0.695,465 10.948,466 0.476,467 0.733,468 0.032,469 34,470 1.478,471 19,472 0.826,473 15,474 0.652,475 14.905,476 0.648,477 23.252,478 0.705,479 24.143,480 1.05,481 6.767,482 0.294,483 4.258,484 0.185,485 0.157,487 0.457,493 0.966,494 0.85,495 0.569,496 0.665,497 1.036,498 0.619,499 0.767,500 1.1,501 0.572,502 0.916,503 0.612,504 0.8,505 1.091,506 1.096,507 1.049,508 1.071,509 1.047,510 1.044,511 0.769,512 1.072,513 0.879,514 1.054,515 0.705,516 1.087,517 1.398,518 0.934,519 1.007,520 0.9,521 1.337,522 0.99,523 0.875,524 0.938,525 1.011,526 0.975,527 0.82,528 0.96,529 1.076,530 0.957,531 0.805,532 0.897,533 1.144,534 0.89,535 0.897,536 1.089,537 0.918,538 1.026,539 0.985,540 1.025,541 5.5,542 0.074,543 2.889,544 2.646,545 1.418,546 0.799,547 0.398,548 0.335,549 0.253,550 0.139,551 5566,552 19981,553 2.115,554 30.3,556 6,558 1,559 3,564 1.658,565 1.944,566 3.123,567 1.032,569 1,571 1,573 55.759,574 1.69,575 3.665,576 4.404,577 4.9,578 5.044,579 5.044,580 2.509,581 4.176,582 4.5,583 3.252,584 822.832,585 7.75,586 9082.76,588 1,589 1,590 1,591 166.465,592 1.491,593 4.44,594 0.212,595 0.009,596 0.074,597 0.07,598 0.043,599 0.031,600 0.017,601 0.015,602 0.012,603 0.011,604 0.492,605 0.5,606 1,607 0.636,608 105.972,609 -0.185,610 0.115,611 -0.044,612 0.168,613 -0.25,614 0.123,615 -0.07,616 -0.129,617 0.01,618 -0.083,619 -0.006,620 -0.034,621 -0.125,622 -0.137,623 -0.199,624 -0.153,625 -0.147,626 -0.179,627 0.242,628 -0.087,629 -0.004,630 -0.099,631 0.269,632 -0.121,633 -0.225,634 0.035,635 -0.048,636 0.089,637 -0.237,638 -0.012,639 0.068,640 0.032,641 -0.005,642 0.023,643 0.131,644 0.082,645 -0.091,646 0.024,647 0.054,648 0.051,649 -0.146,650 0.057,651 0.048,652 -0.093,653 0.101,654 -0.057,655 0.048,656 -0.046,657 1.922,658 4.274,659 0.783,660 15.301,661 1.035,662 1.102,663 1.908,664 3.639,665 0.742,666 3.296,667 3.689,668 4.007,669 4.344,670 4.533,671 4.644,672 4.754,673 4.905,674 4.927,675 5.004,676 5.309,677 0.738,678 327.73,679 3.296,680 4.875,681 5.759,682 6.676,683 7.575,684 8.494,685 9.399,686 10.319,687 11.227,688 12.147,689 3,698 1,703 2,704 5,707 1,709 7,711 16,728 3,730 1,731 33,733 18,734 2,735 26,737 36,738 17,739 14,740 7,741 5,742 3,746 4,747 6,748 1,761 17,766 2,773 2,774 1,775 1,778 1,780 1,781 10,782 5,783 3,784 6,785 1,790 1,794 0.5,795 4,811 2,812 2,815 2,823 1,831 1,832 1,840 2,845 1,848 23,853 3,869 1,870 12.1,872 3,875 1,877 11.833,878 5.943,879 4.833,880 1.788,881 4.247,882 1.567,883 0.968,884 3.195,885 11.732,886 3.611,887 4.327,888 5.015,889 5.695,890 6.253,891 6.672,892 7.122,893 7.618,894 7.958,895 8.376,896 0.833,897 38,898 8.48,900 3.851,901 8.077,902 15.526,904 13.139,905 2.577,906 59.278,910 82.398,911 91.391,912 16.786,913 39.149,914 137.557,917 91.391,918 259.104,919 16.786,922 56.857,923 148.869,924 41.494,925 10.285,926 70.627,927 39.149,928 82.398,929 108.177,930 137.557,931 39.149,933 82.398,934 137.557,937 16.786,938 72.868,939 57.672,941 82.398,942 154.343,943 130.54,946 82.398,947 25.486,948 65.905,950 193.492,951 82.398,952 154.343,953 130.54,955 0.602,956 0.358,957 0.204,958 0.108,959 22,960 10,961 0.028,962 1,963 2,964 1.222,965 3.471,966 196.856,967 0.222,968 18,969 104.042,974 14.328,975 5.129,976 2.317,977 0.337,978 154.343,979 7.793,982 5.527,984 1.735,986 128.05,987 367.281,988 36,995 3.252,996 4.269,997 0.723,999 34.153,1000 36.356,1001 0.335,1002 0.727,1003 0.873,1004 0.971,1005 1,1006 1,1007 4.875,1008 1.286,1009 5.784,1010 5.359,1011 4.369,1012 5.014,1013 0.542,1014 6.658,1015 4.293,1016 6.144,1017 1.155,1018 7.383,1019 3.548,1020 4.111,1021 4.997,1023 7.644,1024 3.974,1025 7.493,1026 0.718,1027 9.078,1028 3.163,1029 6.028,1030 7.352,1031 0.23,1032 10.784,1033 5.912,1034 8.878,1035 0.008,1036 10.827,1037 1.717,1038 6.553,1039 8.143,1041 12.604,1042 6.397,1043 10.293,1044 -0.183,1045 12.612,1046 0.021,1047 7.989,1048 9.995,1049 0.089,1050 15.271,1051 7.844,1052 11.731,1053 -0.354,1054 14.424,1055 -0.472,1056 8.872,1057 11.176,1059 17.444,1060 8.702,1061 13.188,1062 -0.543,1063 16.255,1064 -0.898,1065 10.129,1066 12.827,1067 0.033,1068 19.947,1069 9.96,1070 3.268,1071 -0.786,1072 18.102,1073 -1.329,1074 11.173,1075 14.195,1077 22.264,1078 10.984,1079 3.078,1080 11.416,1081 19.962,1082 -2.137,1083 12.367,1084 15.766,1085 0.012,1086 24.708,1087 12.17,1088 2.493,1089 10.366,1090 21.833,1091 4.684,1092 13.48,1093 17.221,1095 27.083,1096 13.265,1097 2.241,1098 7.677,1099 23.712,1100 4.126,1101 14.652,1102 18.763,1103 0.004,1104 29.508,1105 14.425,1106 2.056,1107 6.247,1108 25.598,1109 3.387,1110 15.795,1111 20.259,1113 31.907,1114 15.551,1115 1.916,1116 5.976,1117 27.489,1118 3.036,1119 16.962,1120 21.791,1121 0.002,1122 34.327,1123 16.703,1124 1.745,1125 5.723,1126 29.385,1127 2.818,1128 18.118,1129 23.307,1131 36.737,1132 17.843,1133 5275,1134 10093,1135 17.224,1136 24.489,1137 40.88,1138 40.919,1139 41.916,1140 40.164,1141 39.927,1142 54.918,1143 1.2,1144 122.429,1145 38.065,1146 5.364,1147 5.369,1148 6.232,1149 5.269,1150 5.268,1151 7.684,1152 1.2,1153 18.606,1154 5.212,1155 11.788,1156 1.572,1157 1.574,1158 1.612,1159 1.545,1160 1.536,1161 2.112,1162 0.046,1163 4.709,1164 1.464,1165 4.126,1166 4.124,1167 4.12,1168 4.029,1169 6.505,1170 4.045,1171 3.974,1172 3.991,1173 4.018,1174 3.908,1175 6.463,1176 3.913,1177 3.518,1178 3.534,1179 3.625,1180 3.428,1181 6.44,1182 3.428,1183 3.312,1184 3.332,1185 3.369,1186 3.159,1187 5.046,1188 3.177,1189 3.022,1190 3.029,1191 3.013,1192 2.82,1193 4.952,1194 2.831,1195 2.925,1196 2.972,1197 2.94,1198 2.786,1199 4.672,1200 2.797,1201 2.686,1202 2.74,1203 2.675,1204 2.543,1205 4.098,1206 2.537,1207 2.609,1208 2.625,1209 2.559,1210 2.354,1211 3.979,1212 2.339,1213 0.181,1214 0.13,1215 0.265,1216 0.164,1217 0.126,1218 4.709,1219 0.18,1220 3.369,1221 0.023,1222 6.877,1223 0.439,1224 4.251,1225 0.124,1226 3.268,1227 4.684,1228 0.6,1229 11.416,1230 3.212,1231 1.895,1232 1.89,1233 1.951,1234 1.994,1235 1.11,1236 1.977,1237 1.876,1238 1.863,1239 1.939,1240 1.934,1241 1.08,1242 1.945,1243 1.605,1244 1.589,1245 1.694,1246 1.752,1247 0.766,1248 1.731,1249 1.218,1250 1.199,1251 1.32,1252 1.439,1253 0.346,1254 1.402,1255 0.949,1256 0.937,1257 1.088,1258 1.211,1259 0.129,1260 1.158,1261 0.903,1262 0.88,1263 1.068,1264 1.125,1265 0.112,1266 1.1,1267 0.78,1268 0.727,1269 1.049,1270 1.024,1271 0.086,1272 1.012,1273 0.699,1274 0.677,1275 0.857,1276 0.939,1278 0.955,1279 3.97,1281 5.342,1282 3.045,1283 6.897,1284 5.476,1285 8.54,1286 7.627,1287 10.23,1290 6.009,1294 29.634,1305 24.342,1306 55.759,1307 120.939,1308 145.346,1309 161.71,1310 166.465,1311 166.465,1312 42.481,1313 7.485,1314 86.72,1315 86.72,1316 22,1317 12.658,1318 4.248,1319 3.459,1320 31.842,1321 74,1322 63,1323 0.217,1324 149.032,1325 258.13,1326 355.399,1327 17355,1328 3,1329 16.137,1330 0.702,1331 0.538,1332 16.637,1333 12.372,1334 11.025,1335 0.424,1336 0.274,1337 6.699,1338 10.331,1339 6.561,1340 5.364,1341 11.314,1342 7.137,1343 10.661,1344 0.273,1345 0.144,1346 11.07,1347 5.609,1348 9.066,1349 0.168,1350 0.072,1351 9.329,1352 3.89,1353 8.203,1354 0.108,1355 0.037,1356 8.423,1357 2.782,1358 6.246,1359 0.068,1360 0.02,1361 6.545,1362 1.834,1363 0.332,1364 72.327,1365 0.241,1366 22.152,1367 0.619,1368 130,1369 426.033,1370 157.759,1371 440.889,1372 591.82,1373 408,1374 158,1375 419.691,1376 180.498,1377 432.726,1378 639.04,1379 408,1380 6.308}
{0 CHEMBL1091596,1 1.601,2 15.3,3 3.433,4 11.783,5 148.726,6 7.448,7 0.391,8 4.421,9 4.54,10 3.998,11 3.908,12 5.457,13 3.91,14 5.02,15 5.187,16 4.397,17 4.352,18 6.046,19 4.326,20 5.311,21 5.533,22 4.444,23 4.514,24 6.233,25 4.449,26 5.336,27 5.588,28 4.352,29 4.415,30 6.31,31 4.34,32 5.186,33 5.436,34 4.338,35 4.306,36 6.262,37 4.277,38 5.032,39 5.212,40 4.382,41 4.351,42 6.068,43 4.328,44 5.184,45 5.378,46 4.422,47 4.523,48 6.141,49 4.467,50 5.383,51 5.578,52 4.438,53 4.697,54 6.345,55 4.572,56 0.086,57 1.149,58 15.483,59 6.354,60 11.599,61 8.479,62 0.625,63 1.922,64 31.537,65 11.383,66 49.2,67 15.272,68 0.649,69 2.379,70 44.966,71 14.294,72 53.084,73 21.035,74 0.721,75 2.319,76 48.488,77 14.119,78 73.281,79 21.428,80 0.929,81 2.063,82 42.021,83 10.127,84 93.071,85 16.082,86 0.468,87 1.989,88 31.701,89 10.141,90 40.432,91 14.61,92 0.7,93 2.249,94 37.508,95 12.566,96 46.323,97 17.92,98 0.581,99 2.546,100 45.573,101 20.329,102 90.912,103 27.478,104 6,105 66,106 0.247,107 0.561,108 0.677,109 0.71,110 0.723,111 0.727,112 3.718,113 0.914,114 -4.59,115 -4.52,116 -4.25,119 39.7,121 4,125 5,127 4,142 8,143 2,144 2,149 1,150 2,159 1,172 10,174 7,175 6,178 2,179 1,180 5,183 8,186 2,187 8,192 6,195 4,198 3,199 19,204 8,211 4,212 10,217 4,224 16,227 2,228 1,229 2,232 8,236 4,237 2,245 16,249 2,250 4,253 6,254 1,258 20,263 8,271 4,275 3558,276 27.867,277 27.867,278 27.867,279 27.867,280 27.867,281 25.681,282 43.673,283 16.22,284 28.586,285 22.711,286 22.711,287 22.711,288 22.711,289 22.711,290 19.281,291 68.653,292 7.67,293 23.951,294 4.589,295 2.56,296 1.808,297 1.589,298 1.507,299 1.479,300 4.445,306 1400,307 3.536,310 193.576,311 654.808,312 264.976,318 2.37,319 41.374,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 87.5,331 612,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.656,347 0.86,348 11.103,349 2.926,350 4.151,351 3.403,352 6.17,353 3.831,354 2.862,355 3.615,356 0.86,357 9.179,358 2.775,359 4.061,360 2.889,361 5.601,362 3.684,363 2.711,364 3.257,365 0.8,366 7.722,367 2.639,368 3.85,369 2.808,370 5.455,371 3.5,372 2.532,373 3.14,374 0.8,375 7.219,376 2.441,377 3.627,378 2.553,379 5.372,380 3.276,381 2.316,382 2.883,383 0.765,384 6.871,385 2.216,386 3.468,387 2.38,388 5.155,389 3.129,390 2.171,391 2.701,392 0.247,393 6.401,394 2.07,395 3.243,396 2.313,397 5.086,398 2.851,399 1.924,400 2.437,402 5.839,403 1.822,404 3.158,405 2.276,406 5.086,407 2.851,408 1.879,409 2.302,411 5.839,412 1.822,413 2.879,414 2.016,415 5.066,416 2.839,417 1.879,418 1.879,420 5.786,421 1.799,422 2.879,423 2.016,424 4.624,425 2.815,426 1.818,427 1.879,428 4.939,429 1.759,430 2.766,431 1.933,432 4.299,433 2.289,434 1.372,435 1.87,436 3.87,437 1.26,438 2.5,439 1.737,440 3.899,441 2.167,442 1.293,443 1.5,445 2.894,446 1.12,447 2.5,448 1.386,449 3.809,450 2.166,451 1.27,452 1.5,454 2.845,455 1.12,456 2.328,457 1.153,458 3.533,459 2,460 1,461 1.325,463 2.324,464 1,465 18.633,466 0.466,467 0.876,468 0.022,469 50,470 1.25,471 21.5,472 0.538,473 28.5,474 0.713,475 39.27,476 0.982,477 43.767,478 0.6,479 40.749,480 1.019,481 9.336,482 0.233,483 10.305,484 0.258,485 0.036,487 0.365,493 0.89,494 1.489,495 0.773,496 1.17,497 0.732,498 0.981,499 0.982,500 1.066,501 0.947,502 1.02,503 0.698,504 0.997,505 0.95,506 1.174,507 1.002,508 1.052,509 0.716,510 1.028,511 1.008,512 1.187,513 0.957,514 1.015,515 0.868,516 0.978,517 1.204,518 0.825,519 0.939,520 0.59,521 1.379,522 0.66,523 1.035,524 1.278,525 1.023,526 1.049,527 1.04,528 1.017,529 0.926,530 0.867,531 1.147,532 0.919,533 0.71,534 1.018,535 0.41,536 1.125,537 1.091,538 1.444,539 0.482,540 1.418,541 7.5,542 0.123,543 4,544 2.438,545 1.3,546 1.34,547 1.045,548 0.609,549 0.298,550 0.401,551 29658,552 72498,553 2.226,554 45.2,556 22,559 3,561 8,564 1.8,565 2.143,566 3.737,567 0.781,573 116.859,574 1.601,575 3.63,576 4.382,577 4.601,578 4.683,579 4.71,580 3.184,581 4.122,582 5.288,583 4.034,584 3146.38,585 9.337,586 54895.1,591 451.857,592 1.188,593 5.278,594 0.163,595 0.004,596 0.061,597 0.036,598 0.022,599 0.022,600 0.016,601 0.009,602 0.005,603 0.01,604 0.347,605 0.17,606 0.63,607 0.482,608 226.415,609 -0.073,610 -0.247,611 0.069,612 -0.072,613 -0.046,614 0.01,615 0.054,616 0.081,617 -0.024,619 0.05,620 -0.039,621 -0.066,622 -0.115,623 -0.046,624 -0.068,625 -0.004,626 -0.053,627 -0.057,628 -0.195,629 0.043,630 -0.07,631 0.013,632 -0.01,633 -0.112,634 0.25,635 0.082,636 0.285,637 -0.111,638 0.243,639 -0.123,640 -0.084,641 -0.108,642 -0.067,643 -0.109,644 -0.08,645 -0.119,646 0.313,647 -0.24,648 0.077,649 -0.097,650 -0.06,651 0.197,652 -0.094,653 -0.212,654 -0.324,655 0.185,656 -0.348,657 2.014,658 5.529,659 0.85,660 52.25,661 1.007,662 1.133,663 3.363,664 11.313,665 0.654,666 3.85,667 4.205,668 4.533,669 4.86,670 5.106,671 5.257,672 5.434,673 5.638,674 5.826,675 6.023,676 8.792,677 0.628,678 543.69,679 3.85,680 5.416,681 6.293,682 7.192,683 8.082,684 8.987,685 9.885,686 10.794,687 11.696,688 12.608,689 9.6,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 73,733 19,734 2,735 46,737 79,738 29,739 15,740 4,741 8,746 7,747 9,751 1,752 1,755 8,758 8,761 16,762 13,766 1,771 1,775 1,781 33,782 11,783 3,784 11,790 7,794 0.714,795 4,796 1,808 2,811 2,812 5,813 2,838 1,839 2,840 5,848 40,853 1,854 9,855 2,856 2,858 4,859 2,870 5.5,871 1,873 1,874 2,877 18.667,878 12.7,879 8.611,880 4.524,881 3.169,882 1.35,883 0.988,884 7.121,885 12.217,886 4.043,887 4.59,888 5.119,889 5.682,890 6.216,891 6.489,892 6.925,893 7.332,894 7.67,895 8.068,896 0.9,897 67,898 14.885,900 6.584,901 7.654,902 28.933,904 25.164,905 2.154,906 86.167,910 353.133,911 126.604,912 92.627,914 89.828,917 126.604,918 442.961,919 92.627,921 64.529,922 118.493,923 97.501,924 20.461,925 8.074,926 353.133,928 353.133,929 219.231,930 89.828,933 261.292,934 119.314,935 64.683,937 68.327,938 98.219,939 50.357,941 353.133,942 182.455,943 126.604,946 353.133,947 50.794,948 82.059,949 36.022,950 140.185,951 353.133,952 182.455,953 126.604,955 0.585,956 0.349,957 0.197,958 0.105,959 35,960 14,961 0.076,962 6,963 4,964 1.176,965 5.073,966 424.78,967 0.235,968 32,969 172.877,974 25.813,975 11.034,976 5.214,978 182.455,979 14.607,980 14.968,984 4.999,986 78.705,987 662.192,988 56,993 12.529,997 -0.347,999 73.509,1000 82.723,1001 0.259,1002 0.586,1003 0.708,1004 0.743,1005 0.757,1006 0.761,1007 5.321,1008 1.924,1009 6.279,1010 6.401,1011 4.89,1012 5.278,1013 2.472,1014 7.114,1015 4.786,1016 6.489,1017 1.879,1018 7.844,1019 5.839,1020 4.443,1021 4.966,1022 1.404,1023 8.036,1024 4.298,1025 7.781,1026 1.879,1027 9.507,1028 5.839,1029 6.506,1030 7.334,1031 2.707,1032 11.166,1033 6.295,1034 9.101,1035 1.818,1036 11.23,1037 5.786,1038 6.899,1039 7.812,1040 2.382,1041 12.962,1042 6.63,1043 10.454,1044 1.372,1045 12.992,1046 4.939,1047 8.404,1048 9.673,1049 3.339,1050 15.607,1051 8.075,1052 11.827,1053 1.293,1054 14.784,1055 3.87,1056 9.197,1057 10.527,1058 3.421,1059 17.775,1060 8.795,1061 13.216,1062 1.27,1063 16.599,1064 2.894,1065 10.478,1066 12.164,1067 4.183,1068 20.264,1069 10.015,1070 3.259,1071 1,1072 18.431,1073 2.845,1074 11.464,1075 13.225,1076 4.467,1077 22.584,1078 10.921,1079 3.133,1080 11.434,1081 20.278,1082 2.324,1083 12.657,1084 14.747,1085 5.119,1086 25.023,1087 12.049,1088 2.862,1089 11.103,1090 22.137,1091 4.064,1092 13.732,1093 15.93,1094 5.504,1095 27.403,1096 13.043,1097 2.711,1098 9.179,1099 24.006,1100 3.656,1101 14.894,1102 17.387,1103 6.093,1104 29.828,1105 14.135,1106 2.532,1107 7.722,1108 25.883,1109 3.615,1110 16.011,1111 18.647,1112 6.531,1113 32.233,1114 15.171,1115 2.316,1116 7.219,1117 27.767,1118 3.257,1119 17.165,1120 20.069,1121 7.084,1122 34.655,1123 16.25,1124 2.171,1125 6.871,1126 29.657,1127 3.14,1128 18.303,1129 21.376,1130 7.551,1131 37.07,1132 17.307,1133 26714,1134 41904,1135 32.016,1136 47.756,1137 69.853,1138 71.116,1139 71.282,1140 69.402,1141 69.42,1142 83.655,1143 11.976,1144 204.213,1145 65.807,1146 5.458,1147 5.562,1148 6.406,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 12.898,1156 1.519,1157 1.546,1158 1.55,1159 1.509,1160 1.509,1161 1.819,1162 0.26,1163 4.439,1164 1.431,1165 4.062,1166 4.112,1167 4.011,1168 3.921,1169 7.431,1170 3.932,1171 3.933,1172 3.969,1173 3.871,1174 3.844,1175 6.457,1176 3.844,1177 3.914,1178 3.965,1179 3.821,1180 3.789,1181 5.079,1182 3.793,1183 3.89,1184 3.923,1185 3.814,1186 3.754,1187 4.734,1188 3.76,1189 3.616,1190 3.674,1191 3.568,1192 3.395,1193 4.696,1194 3.436,1195 3.431,1196 3.477,1197 3.372,1198 3.17,1199 4.639,1200 3.213,1201 3.182,1202 3.228,1203 3.057,1204 2.951,1205 4.608,1206 2.965,1207 3.144,1208 3.206,1209 2.957,1210 2.951,1211 4.088,1212 2.926,1213 0.097,1214 0.077,1215 0.149,1216 0.091,1217 0.071,1218 4.458,1219 0.088,1220 3.562,1221 0.036,1222 6.853,1223 0.249,1224 4.184,1225 0.066,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.933,1232 1.904,1233 2.029,1234 2.069,1235 1.255,1236 2.049,1237 1.904,1238 1.877,1239 2.008,1240 2.013,1241 1.255,1242 2.011,1243 1.736,1244 1.684,1245 1.875,1246 1.937,1247 1.208,1248 1.927,1249 1.648,1250 1.599,1251 1.86,1252 1.886,1253 1.187,1254 1.872,1255 1.604,1256 1.543,1257 1.86,1258 1.76,1259 1.139,1260 1.798,1261 1.604,1262 1.543,1263 1.839,1264 1.76,1265 1.098,1266 1.798,1267 1.439,1268 1.389,1269 1.54,1270 1.702,1271 0.603,1272 1.663,1273 1.301,1274 1.253,1275 1.483,1276 1.589,1277 0.51,1278 1.555,1279 4.533,1281 5.878,1282 3.045,1283 7.418,1284 5.533,1285 9.046,1286 7.678,1287 10.722,1294 9.198,1295 7.08,1296 5.675,1297 11.634,1299 1.141,1300 4.682,1305 45.857,1306 116.859,1307 264.995,1308 319.857,1309 335.857,1310 341.857,1311 343.857,1312 64.352,1313 9.048,1314 124.97,1315 124.97,1316 40,1317 13.124,1318 4.322,1319 3.459,1320 52.446,1321 205,1322 278,1323 0.119,1324 271.466,1325 476.8,1326 654.136,1327 122134,1329 27.053,1330 0.676,1331 0.555,1332 27.053,1333 22.2,1334 19.64,1335 0.427,1336 0.305,1337 13.767,1338 18.742,1339 13.586,1340 11.079,1341 19.64,1342 14.009,1343 17.851,1344 0.27,1345 0.166,1346 17.851,1347 10.93,1348 15.772,1349 0.171,1350 0.091,1351 15.772,1352 8.35,1353 14.041,1354 0.11,1355 0.049,1356 14.041,1357 6.314,1358 11.458,1359 0.07,1360 0.026,1361 11.458,1362 4.261,1363 0.19,1364 124.169,1365 0.177,1366 36.084,1367 0.319,1368 224,1369 628.248,1370 250.395,1371 593.985,1372 823.19,1373 562,1374 270,1375 610.424,1376 297.508,1377 612.473,1378 912.5,1379 578,1380 6.597}
{0 CHEMBL1091665,1 1.633,2 13.639,3 2.166,4 4.69,5 132.647,6 7.635,7 0.439,8 4.293,9 4.416,10 3.893,11 3.759,12 5.359,13 3.772,14 4.874,15 5.049,16 4.278,17 4.17,18 5.938,19 4.162,20 5.106,21 5.328,22 4.24,23 4.279,24 6.072,25 4.225,26 5.089,27 5.34,28 4.218,29 4.208,30 6.1,31 4.159,32 5.024,33 5.255,34 4.246,35 4.187,36 6.154,37 4.164,38 4.956,39 5.155,40 4.254,41 4.239,42 5.975,43 4.211,44 5.052,45 5.246,46 4.263,47 4.381,48 6.02,49 4.316,50 5.249,51 5.47,52 4.218,53 4.5,54 6.134,55 4.362,56 0.082,57 1.04,58 12.949,59 5.146,60 9.267,61 6.992,62 0.617,63 1.664,64 26.828,65 8.969,66 43.431,67 12.182,68 0.711,69 1.928,70 36.516,71 10.738,72 49.311,73 15.854,74 0.599,75 1.878,76 36.978,77 10.197,78 55.787,79 15.915,80 0.848,81 1.797,82 34.131,83 8.552,84 80.703,85 13.269,86 0.467,87 1.799,88 29.445,89 9.219,90 37.705,91 13.352,92 0.63,93 1.965,94 31.897,95 11.031,96 41.329,97 15.626,98 0.457,99 2.154,100 40.482,101 17.401,102 58.262,103 24.103,104 5,105 58,106 0.259,107 0.592,108 0.782,109 0.859,110 0.885,111 0.89,112 3.616,113 0.892,114 -3.79,115 -3.76,116 -3.57,119 39.1,120 1,121 1,125 5,127 3,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 5,174 7,175 6,178 2,179 1,180 3,183 4,186 2,187 6,190 1,192 3,195 2,198 3,199 14,204 4,211 5,212 9,215 1,217 3,224 11,227 2,229 1,232 4,236 4,237 4,245 8,249 2,250 6,253 5,258 8,263 7,271 1,275 2680,276 24.842,277 24.842,278 24.842,279 24.842,280 24.842,281 22.628,282 36.873,283 14.702,284 25.641,285 20.324,286 20.324,287 20.324,288 20.324,289 20.324,290 16.952,291 60.735,292 7.096,293 21.65,294 4.367,295 2.271,296 1.071,297 0.586,298 0.418,299 0.387,300 4.334,305 1,306 1110,307 3.24,310 183.876,311 617.057,318 2.144,319 34.88,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 79,331 491,332 4.424,333 3.562,334 6.616,335 4.105,336 3.182,337 4.057,338 1.656,339 10.649,340 2.941,341 4.127,342 3.429,343 6.439,344 3.919,345 2.989,346 3.614,347 0.86,348 9.951,349 2.798,350 4.036,351 3.261,352 6.133,353 3.779,354 2.818,355 3.472,356 0.86,357 9.02,358 2.685,359 3.963,360 2.885,361 5.573,362 3.618,363 2.659,364 3.16,365 0.8,366 7.649,367 2.543,368 3.773,369 2.649,370 5.467,371 3.41,372 2.456,373 3.078,374 0.8,375 7.18,376 2.342,377 3.542,378 2.543,379 5.318,380 3.232,381 2.294,382 2.712,383 0.247,384 6.884,385 2.142,386 3.363,387 2.418,388 5.066,389 2.949,390 2,391 2.573,393 5.841,394 1.909,395 3.151,396 2.297,397 4.836,398 2.869,399 1.912,400 2.256,402 5.147,403 1.799,404 2.861,405 1.933,406 4.661,407 2.619,408 1.674,409 2.002,411 5.057,412 1.577,413 2.79,414 1.778,415 4.315,416 2.374,417 1.423,418 1.875,420 3.935,421 1.35,422 2.697,423 1.566,424 3.997,425 2.334,426 1.414,427 1.717,428 3.109,429 1.3,430 2.5,431 1.519,432 3.857,433 2.282,434 1.336,435 1.5,436 2.997,437 1.248,438 2.5,439 1.349,440 3.58,441 2,442 1.075,443 1.5,445 2.949,446 1,447 2.414,448 1.273,449 3.569,450 1.971,451 1,452 1.414,454 2.645,455 0.958,456 2.208,457 1,458 3.414,459 1.956,460 1,461 1.189,463 2.275,464 0.953,465 16.7,466 0.464,467 0.811,468 0.023,469 47.75,470 1.326,471 21.5,472 0.597,473 26.25,474 0.729,475 31.775,476 0.883,477 39.1,478 0.611,479 37.451,480 1.04,481 9.162,482 0.254,483 8.457,484 0.235,485 0.05,487 0.347,493 0.876,494 1.613,495 0.74,496 1.236,497 0.65,498 0.999,499 1.046,500 1.019,501 0.917,502 0.971,503 0.669,504 0.938,505 1.158,506 1.159,507 1.084,508 1.017,509 0.949,510 1.033,511 0.944,512 1.124,513 0.888,514 0.932,515 0.919,516 0.889,517 1.153,518 0.908,519 1,520 0.728,521 1.5,522 0.793,523 1.062,524 1.151,525 1.01,526 1.003,527 1.087,528 0.98,529 0.883,530 0.946,531 1.191,532 1.051,533 0.745,534 1.138,535 0.384,536 1.095,537 1.039,538 1.459,539 0.396,540 1.404,541 7,542 0.144,543 3.333,544 1.938,545 1.41,546 1.375,547 0.891,548 0.458,549 0.385,550 0.321,551 21929,552 56309,553 2.203,554 43.8,556 19,558 2,559 2,561 3,562 2,564 1.775,565 2.118,566 3.644,567 0.231,573 104.543,574 1.633,575 3.729,576 4.929,577 5.414,578 5.582,579 5.613,580 3.03,581 4.559,582 5.137,583 3.899,584 2456.61,585 9.039,586 39771.9,591 384,592 1.194,593 5.125,594 0.171,595 0.005,596 0.057,597 0.036,598 0.027,599 0.025,600 0.016,601 0.008,602 0.008,603 0.009,604 0.361,605 0.33,606 0.63,607 0.375,608 197.146,609 -0.066,610 -0.366,611 0.079,612 -0.154,613 -0.027,614 -0.031,615 0.066,616 0.116,617 0.01,618 0.02,619 0.101,620 -0.007,621 -0.132,622 -0.123,623 -0.114,624 -0.05,625 -0.073,626 -0.077,627 -0.049,628 -0.112,629 0.101,630 0.006,631 0.021,632 0.073,633 -0.056,634 0.172,635 -0.009,636 0.172,637 -0.067,638 0.113,639 -0.162,640 -0.021,641 -0.092,642 -0.02,643 -0.11,644 -0.033,645 -0.094,646 0.199,647 -0.303,648 -0.033,649 -0.109,650 -0.169,651 0.194,652 -0.12,653 -0.139,654 -0.341,655 0.146,656 -0.317,657 2.006,658 5.327,659 0.861,660 44.494,661 1.01,662 1.137,663 2.564,664 6.575,665 0.657,666 3.738,667 4.078,668 4.369,669 4.673,670 4.898,671 4.99,672 5.193,673 5.394,674 5.557,675 5.727,676 8.103,677 0.634,678 488.61,679 3.738,680 5.293,681 6.155,682 7.041,683 7.918,684 8.81,685 9.694,686 10.591,687 11.481,688 12.381,689 12.5,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 64,733 19,734 1,735 41,737 69,738 25,739 14,740 2,741 4,746 6,747 7,751 1,752 1,755 4,758 4,761 15,762 10,766 1,771 1,775 1,781 28,782 11,783 2,784 11,790 8,794 0.833,795 3,801 1,805 1,808 1,811 2,812 5,839 2,840 5,844 1,848 36,854 6,855 2,856 2,858 3,859 2,870 4.7,873 1,874 2,877 17,878 11.617,879 7.722,880 3.887,881 3.14,882 1.371,883 0.999,884 6.506,885 11.602,886 3.951,887 4.494,888 5.009,889 5.57,890 6.098,891 6.331,892 6.786,893 7.196,894 7.525,895 7.905,896 0.889,897 54,898 13.339,900 5.791,901 7.657,902 25.719,904 21.7,905 2.157,906 77.667,910 306.049,911 123.402,912 109.412,914 47.145,917 123.402,918 353.193,919 109.412,920 8.825,921 56.545,922 56.857,923 137.829,924 35.37,925 8.074,926 282.506,928 306.049,929 232.814,930 47.145,933 249.521,934 84,935 22,937 87.263,938 76.081,939 67.142,941 306.049,942 156.557,943 123.402,946 306.049,947 39.624,948 90.026,949 36.022,950 114.287,951 306.049,952 156.557,953 123.402,955 0.584,956 0.338,957 0.188,958 0.1,959 30,960 12,961 0.072,962 5,963 2,964 1.097,965 4.779,966 358.287,967 0.129,968 30,969 182.117,974 23.255,975 10.072,976 5.069,978 156.557,979 14.274,980 18.575,984 4.069,986 36.022,987 586.007,988 51,993 12.327,997 -0.34,999 64.632,1000 72.767,1001 0.272,1002 0.622,1003 0.822,1004 0.902,1005 0.93,1006 0.936,1007 5.212,1008 1.912,1009 6.133,1010 5.841,1011 4.762,1012 5.182,1013 2.368,1014 6.94,1015 4.639,1016 6.38,1017 1.674,1018 7.682,1019 5.147,1020 4.29,1021 4.82,1022 1.404,1023 7.781,1024 4.12,1025 7.663,1026 1.423,1027 9.327,1028 5.057,1029 6.351,1030 7.233,1031 2.66,1032 10.897,1033 6.104,1034 8.975,1035 1.414,1036 11.03,1037 3.935,1038 6.711,1039 7.658,1040 2.382,1041 12.584,1042 6.403,1043 10.318,1044 1.336,1045 12.77,1046 3.109,1047 8.217,1048 9.565,1049 3.324,1050 15.195,1051 7.84,1052 11.681,1053 1.075,1054 14.538,1055 2.997,1056 8.969,1057 10.377,1058 3.421,1059 17.242,1060 8.521,1061 13.061,1062 1,1063 16.325,1064 2.949,1065 10.245,1066 12.05,1067 4.179,1068 19.674,1069 9.73,1070 3.182,1071 1,1072 18.127,1073 2.645,1074 11.188,1075 13.082,1076 4.467,1077 21.881,1078 10.595,1079 2.989,1080 10.649,1081 19.941,1082 2.275,1083 12.367,1084 14.628,1085 5.118,1086 24.249,1087 11.705,1088 2.818,1089 9.951,1090 21.765,1091 4.057,1092 13.403,1093 15.794,1094 5.504,1095 26.527,1096 12.661,1097 2.659,1098 9.02,1099 23.597,1100 3.614,1101 14.544,1102 17.268,1103 6.093,1104 28.874,1105 13.73,1106 2.456,1107 7.649,1108 25.435,1109 3.472,1110 15.626,1111 18.518,1112 6.531,1113 31.186,1114 14.731,1115 2.294,1116 7.18,1117 27.279,1118 3.16,1119 16.755,1120 19.952,1121 7.084,1122 33.527,1123 15.785,1124 2,1125 6.884,1126 29.128,1127 3.078,1128 17.86,1129 21.255,1130 7.551,1131 35.856,1132 16.81,1133 19898,1134 32054,1135 28.433,1136 42.023,1137 62.118,1138 63.37,1139 62.679,1140 61.771,1141 61.82,1142 75.867,1143 10.446,1144 178.365,1145 58.074,1146 5.424,1147 5.562,1148 6.418,1149 5.212,1150 5.182,1151 7.057,1152 2.912,1153 17.668,1154 4.941,1155 11.485,1156 1.515,1157 1.546,1158 1.529,1159 1.507,1160 1.508,1161 1.85,1162 0.255,1163 4.35,1164 1.416,1165 4.04,1166 4.089,1167 3.993,1168 3.9,1169 7.431,1170 3.913,1171 3.913,1172 3.954,1173 3.842,1174 3.767,1175 5.079,1176 3.779,1177 3.862,1178 3.908,1179 3.8,1180 3.74,1181 4.907,1182 3.75,1183 3.818,1184 3.868,1185 3.729,1186 3.624,1187 4.707,1188 3.642,1189 3.593,1190 3.649,1191 3.53,1192 3.37,1193 4.66,1194 3.406,1195 3.385,1196 3.431,1197 3.333,1198 3.102,1199 4.606,1200 3.153,1201 3.264,1202 3.351,1203 3.037,1204 3.083,1205 4.074,1206 3.063,1207 3.002,1208 3.09,1209 2.872,1210 2.811,1211 4.037,1212 2.802,1213 0.108,1214 0.087,1215 0.161,1216 0.1,1217 0.078,1218 4.424,1219 0.099,1220 3.562,1221 0.04,1222 6.616,1223 0.26,1224 4.105,1225 0.072,1226 3.182,1227 4.057,1228 1.656,1229 10.649,1230 2.941,1231 1.93,1232 1.9,1233 2.02,1234 2.076,1235 1.244,1236 2.054,1237 1.821,1238 1.779,1239 1.957,1240 1.994,1241 1.184,1242 1.982,1243 1.769,1244 1.714,1245 1.932,1246 1.949,1247 1.108,1248 1.949,1249 1.626,1250 1.569,1251 1.792,1252 1.864,1253 1.077,1254 1.846,1255 1.51,1256 1.454,1257 1.756,1258 1.688,1259 0.944,1260 1.707,1261 1.414,1262 1.361,1263 1.639,1264 1.657,1265 0.894,1266 1.638,1267 1.291,1268 1.21,1269 1.519,1270 1.538,1271 0.526,1272 1.563,1273 1.228,1274 1.179,1275 1.364,1276 1.517,1277 0.456,1278 1.49,1279 4.419,1281 5.753,1282 3.045,1283 7.28,1284 5.352,1285 8.892,1286 7.402,1287 10.549,1289 2.116,1295 4.516,1296 5.597,1297 11.4,1299 0.708,1300 4.425,1305 40.584,1306 104.543,1307 238.677,1308 315.471,1309 346.49,1310 357.245,1311 359.245,1312 53.097,1313 8.462,1314 117.63,1315 117.63,1316 34,1317 12.905,1318 4.322,1319 3.459,1320 49.029,1321 170,1322 204,1323 0.134,1324 243.288,1325 422.17,1326 585.382,1327 60103,1329 24.485,1330 0.68,1331 0.556,1332 24.485,1333 20.002,1334 17.619,1335 0.43,1336 0.297,1337 11.956,1338 16.717,1339 11.761,1340 9.631,1341 17.619,1342 12.194,1343 16.113,1344 0.278,1345 0.16,1346 16.113,1347 9.272,1348 13.752,1349 0.176,1350 0.086,1351 13.752,1352 6.714,1353 12.008,1354 0.113,1355 0.046,1356 12.008,1357 4.841,1358 9.56,1359 0.072,1360 0.023,1361 9.56,1362 3.019,1363 0.213,1364 111.818,1365 0.188,1366 33.153,1367 0.362,1368 198,1369 587.743,1370 224.342,1371 556.326,1372 770.92,1373 526,1374 235,1375 576.227,1376 262.039,1377 576.161,1378 851.82,1379 543,1380 5.722}
{0 CHEMBL1091666,1 1.619,2 13.639,3 2.605,4 6.785,5 134.829,6 7.434,7 0.45,8 4.305,9 4.433,10 3.876,11 3.753,12 5.378,13 3.761,14 4.871,15 5.058,16 4.231,17 4.135,18 5.936,19 4.121,20 5.107,21 5.328,22 4.282,23 4.296,24 6.088,25 4.25,26 5.168,27 5.414,28 4.25,29 4.283,30 6.171,31 4.222,32 5.125,33 5.373,34 4.258,35 4.246,36 6.217,37 4.205,38 5.018,39 5.231,40 4.26,41 4.273,42 6.018,43 4.232,44 5.092,45 5.291,46 4.271,47 4.402,48 6.062,49 4.334,50 5.288,51 5.51,52 4.227,53 4.534,54 6.183,55 4.389,56 0.069,57 1.045,58 13.875,59 5.239,60 9.517,61 7.401,62 0.633,63 1.621,64 28.087,65 8.829,66 45.281,67 12.489,68 0.664,69 1.94,70 36.903,71 10.5,72 47.867,73 16.052,74 0.631,75 1.983,76 40.292,77 11.12,78 60.26,79 17.493,80 0.904,81 1.908,82 39.092,83 9.487,84 88.196,85 15.452,86 0.471,87 1.86,88 32.706,89 9.979,90 40.56,91 15.033,92 0.653,93 2.022,94 34.371,95 11.303,96 43.749,97 16.568,98 0.434,99 2.22,100 42.696,101 18.135,102 59.644,103 25.327,104 10,105 55,106 0.256,107 0.568,108 0.727,109 0.783,110 0.794,111 0.794,112 3.616,113 0.907,114 -3.79,115 -3.76,116 -3.57,119 37.9,120 2,125 6,127 2,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 5,174 7,175 5,178 2,179 1,180 3,183 4,186 2,187 7,190 1,192 3,195 2,198 3,199 14,204 4,211 5,212 9,215 1,217 3,224 11,227 2,229 1,232 4,236 4,237 4,245 8,249 2,250 6,253 5,258 8,263 7,271 1,275 2692,276 24.654,277 24.654,278 24.654,279 24.654,280 24.654,281 22.44,282 35.795,283 14.776,284 25.488,285 19.797,286 19.797,287 19.797,288 19.797,289 19.797,290 16.425,291 56.906,292 7.083,293 21.146,294 4.425,295 2.454,296 1.451,297 1.095,298 1.023,299 1.023,300 4.324,305 1,306 1078,307 3.162,311 632.572,318 2.144,319 34.384,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 79,331 491,332 4.415,333 3.562,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.895,341 4.099,342 3.349,343 6.384,344 3.813,345 2.893,346 3.611,347 0.86,348 9.695,349 2.697,350 3.963,351 3.198,352 6.12,353 3.772,354 2.806,355 3.472,356 0.86,357 8.96,358 2.66,359 3.958,360 2.851,361 5.57,362 3.612,363 2.651,364 3.091,365 0.8,366 7.64,367 2.539,368 3.755,369 2.562,370 5.336,371 3.385,372 2.425,373 3.076,374 0.8,375 6.948,376 2.326,377 3.447,378 2.486,379 5.203,380 3.102,381 2.158,382 2.651,383 0.247,384 6.243,385 2.032,386 3.295,387 2.316,388 4.891,389 2.904,390 1.92,391 2.438,393 5.254,394 1.873,395 3.045,396 2.264,397 4.66,398 2.765,399 1.851,400 2.139,402 5.059,403 1.691,404 2.858,405 1.89,406 4.292,407 2.374,408 1.423,409 1.999,411 3.886,412 1.351,413 2.754,414 1.752,415 3.911,416 2.338,417 1.414,418 1.847,420 3.115,421 1.307,422 2.5,423 1.539,424 3.832,425 2.328,426 1.414,427 1.5,428 3.068,429 1.282,430 2.5,431 1.519,432 3.585,433 2.273,434 1.335,435 1.5,436 2.984,437 1.236,438 2.414,439 1.278,440 3.575,441 2,442 1.075,443 1.414,445 2.763,446 1,447 2.414,448 1.271,449 3.569,450 1.963,451 1,452 1.414,454 2.593,455 0.954,456 2.202,457 1,458 3.414,459 1.956,460 1,461 1.184,463 2.275,464 0.948,465 16.7,466 0.464,467 0.78,468 0.022,469 47.25,470 1.313,471 21.5,472 0.597,473 25.75,474 0.715,475 32.619,476 0.906,477 39.7,478 0.602,479 38.057,480 1.057,481 9.22,482 0.256,483 8.344,484 0.232,485 0.08,487 0.317,493 0.883,494 1.67,495 0.773,496 1.289,497 0.671,498 1.047,499 1.079,500 1.011,501 0.921,502 0.941,503 0.693,504 0.919,505 1.142,506 1.153,507 1.027,508 0.977,509 0.941,510 0.974,511 1.033,512 1.159,513 0.969,514 1.001,515 0.927,516 0.969,517 1.116,518 0.887,519 1,520 0.735,521 1.429,522 0.804,523 1.011,524 1.14,525 0.981,526 1.001,527 1.028,528 0.972,529 0.929,530 0.956,531 1.22,532 1.053,533 0.766,534 1.146,535 0.382,536 1.14,537 1.059,538 1.498,539 0.409,540 1.434,541 6.5,542 0.14,543 3.556,544 2.25,545 1.431,546 1.486,547 1.012,548 0.46,549 0.327,550 0.357,551 20782,552 54386,553 2.137,554 45.5,556 20,558 2,559 2,561 6,564 1.776,565 2.038,566 3.646,567 0.231,573 106.872,574 1.619,575 3.591,576 4.593,577 4.949,578 5.022,579 5.022,580 3.03,581 4.239,582 5.137,583 3.899,584 2456.28,585 9.042,586 39836.9,591 398.93,592 1.256,593 5.118,594 0.162,595 0.005,596 0.065,597 0.039,598 0.027,599 0.027,600 0.018,601 0.008,602 0.006,603 0.01,604 0.368,605 0.33,606 0.63,607 0.442,608 197.191,609 -0.058,610 -0.396,611 0.075,612 -0.177,613 -0.037,614 -0.048,615 0.07,616 0.124,617 0.033,618 0.053,619 0.101,620 0.024,621 -0.117,622 -0.083,623 -0.059,624 -0.004,625 -0.062,626 -0.019,627 -0.084,628 -0.139,629 0.014,630 -0.048,631 0.008,632 -0.006,633 -0.046,634 0.169,635 0.003,636 0.166,637 -0.06,638 0.113,639 -0.129,640 -0.021,641 -0.046,642 -0.002,643 -0.075,644 -0.003,645 -0.116,646 0.213,647 -0.316,648 -0.029,649 -0.121,650 -0.171,651 0.184,652 -0.138,653 -0.167,654 -0.365,655 0.128,656 -0.343,657 2.011,658 5.323,659 0.833,660 44.753,661 1.008,662 1.139,663 2.564,664 6.575,665 0.648,666 3.714,667 4.025,668 4.29,669 4.554,670 4.796,671 4.868,672 5.069,673 5.236,674 5.342,675 5.489,676 8.106,677 0.623,678 490.63,679 3.714,680 5.252,681 6.098,682 6.969,683 7.829,684 8.707,685 9.575,686 10.457,687 11.33,688 12.215,689 12.1,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 66,733 19,734 1,735 40,737 70,738 25,739 14,740 2,741 4,746 5,747 5,751 1,752 2,755 2,758 2,761 15,762 10,766 1,771 1,775 1,781 30,782 11,783 2,784 11,790 8,794 1,795 3,805 1,812 5,839 2,840 5,844 2,848 36,854 6,855 2,856 2,858 2,859 2,870 4.5,873 1,874 2,877 17.667,878 12.283,879 7.889,880 3.999,881 3.155,882 1.385,883 0.973,884 7.682,885 11.352,886 3.932,887 4.46,888 4.968,889 5.523,890 6.064,891 6.286,892 6.732,893 7.123,894 7.419,895 7.791,896 0.889,897 57,898 13.317,900 5.626,901 7.676,902 25.56,904 20.831,905 2.176,906 78.333,910 329.591,911 134.285,912 109.412,914 47.145,917 134.285,918 376.736,919 109.412,920 17.65,921 58.602,922 56.857,923 137.829,924 35.37,925 8.074,926 306.049,928 329.591,929 243.697,930 47.145,933 261.292,934 95.772,935 22,937 98.146,938 76.081,939 67.142,941 329.591,942 156.557,943 134.285,946 329.591,947 41.682,948 98.851,949 36.022,950 114.287,951 329.591,952 156.557,953 134.285,955 0.577,956 0.334,957 0.183,958 0.099,959 26,960 11,961 0.071,962 5,964 1,965 4.688,966 348.02,968 30,969 164.117,974 24.535,975 11.271,976 5.991,978 156.557,979 14.226,980 18.506,984 3.966,986 36.022,987 620.432,988 50,993 12.323,997 -0.344,999 66.516,1000 75.182,1001 0.268,1002 0.594,1003 0.76,1004 0.819,1005 0.831,1006 0.831,1007 5.173,1008 1.851,1009 6.066,1010 5.254,1011 4.71,1012 5.147,1013 2.368,1014 6.851,1015 4.584,1016 6.336,1017 1.423,1018 7.604,1019 5.059,1020 4.205,1021 4.771,1022 1.404,1023 7.678,1024 4.039,1025 7.613,1026 1.414,1027 9.243,1028 3.886,1029 6.275,1030 7.202,1031 2.66,1032 10.785,1033 6.023,1034 8.92,1035 1.414,1036 10.941,1037 3.115,1038 6.594,1039 7.614,1040 2.382,1041 12.456,1042 6.29,1043 10.258,1044 1.335,1045 12.679,1046 3.068,1047 8.113,1048 9.539,1049 3.324,1050 15.059,1051 7.731,1052 11.618,1053 1.075,1054 14.444,1055 2.984,1056 8.83,1057 10.345,1058 3.421,1059 17.084,1060 8.381,1061 12.994,1062 1,1063 16.23,1064 2.763,1065 10.109,1066 12.029,1067 4.179,1068 19.503,1069 9.587,1070 3.133,1071 1,1072 18.03,1073 2.593,1074 11.022,1075 13.058,1076 4.467,1077 21.685,1078 10.424,1079 2.893,1080 10.418,1081 19.842,1082 2.275,1083 12.195,1084 14.611,1085 5.118,1086 24.035,1087 11.526,1088 2.806,1089 9.695,1090 21.663,1091 4.056,1092 13.206,1093 15.776,1094 5.504,1095 26.289,1096 12.456,1097 2.651,1098 8.96,1099 23.491,1100 3.611,1101 14.336,1102 17.254,1103 6.093,1104 28.615,1105 13.512,1106 2.425,1107 7.64,1108 25.325,1109 3.472,1110 15.396,1111 18.504,1112 6.531,1113 30.902,1114 14.49,1115 2.158,1116 6.948,1117 27.164,1118 3.091,1119 16.51,1120 19.94,1121 7.084,1122 33.221,1123 15.528,1124 1.92,1125 6.243,1126 29.007,1127 3.076,1128 17.596,1129 21.244,1130 7.551,1131 35.526,1132 16.531,1133 19372,1134 31528,1135 27.334,1136 42.784,1137 59.704,1138 60.651,1139 60.642,1140 59.125,1141 59.162,1142 73.2,1143 10.446,1144 166.516,1145 55.488,1146 5.415,1147 5.562,1148 6.365,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.895,1155 14.057,1156 1.493,1157 1.516,1158 1.516,1159 1.478,1160 1.479,1161 1.83,1162 0.261,1163 4.163,1164 1.387,1165 4.018,1166 4.067,1167 3.978,1168 3.893,1169 7.431,1170 3.904,1171 3.875,1172 3.925,1173 3.82,1174 3.74,1175 5.078,1176 3.75,1177 3.839,1178 3.881,1179 3.768,1180 3.674,1181 4.907,1182 3.696,1183 3.784,1184 3.84,1185 3.672,1186 3.579,1187 4.702,1188 3.592,1189 3.573,1190 3.63,1191 3.501,1192 3.349,1193 4.623,1194 3.382,1195 3.383,1196 3.429,1197 3.329,1198 3.103,1199 4.598,1200 3.151,1201 3.264,1202 3.352,1203 3.037,1204 3.089,1205 4.075,1206 3.065,1207 3.263,1208 3.349,1209 3.037,1210 3.076,1211 4.056,1212 3.061,1213 0.11,1214 0.089,1215 0.164,1216 0.101,1217 0.078,1218 4.415,1219 0.101,1220 3.562,1221 0.041,1222 6.563,1223 0.26,1224 4.053,1225 0.072,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.895,1231 1.932,1232 1.901,1233 2.024,1234 2.088,1235 1.252,1236 2.064,1237 1.822,1238 1.78,1239 1.964,1240 1.998,1241 1.235,1242 1.987,1243 1.785,1244 1.731,1245 1.947,1246 1.962,1247 1.101,1248 1.958,1249 1.73,1250 1.673,1251 1.931,1252 1.947,1253 0.944,1254 1.948,1255 1.468,1256 1.412,1257 1.644,1258 1.718,1259 0.895,1260 1.681,1261 1.293,1262 1.21,1263 1.636,1264 1.544,1265 0.894,1266 1.565,1267 1.29,1268 1.21,1269 1.534,1270 1.52,1271 0.514,1272 1.562,1273 1.23,1274 1.181,1275 1.365,1276 1.517,1277 0.456,1278 1.494,1279 4.394,1281 5.707,1283 7.219,1285 8.817,1287 10.459,1289 4.216,1295 3.971,1296 5.587,1297 11.223,1299 0.322,1300 4.337,1305 41.11,1306 106.872,1307 236.982,1308 303.156,1309 326.665,1310 331.42,1311 331.42,1312 56.838,1313 8.197,1314 117.63,1315 117.63,1316 30,1317 12.75,1318 4.322,1319 3.459,1320 54.419,1321 170,1322 204,1323 0.15,1324 250.681,1325 434.53,1326 603.422,1327 44282,1329 24.907,1330 0.692,1331 0.567,1332 24.907,1333 20.424,1334 17.564,1335 0.439,1336 0.302,1337 11.858,1338 16.643,1339 11.603,1340 9.575,1341 17.564,1342 12.1,1343 15.7,1344 0.285,1345 0.162,1346 15.7,1347 8.892,1348 13.137,1349 0.182,1350 0.086,1351 13.137,1352 6.181,1353 11.182,1354 0.119,1355 0.045,1356 11.182,1357 4.221,1358 9.055,1359 0.075,1360 0.023,1361 9.055,1362 2.716,1363 0.237,1364 111.576,1365 0.191,1366 33.15,1367 0.404,1368 190,1369 579.743,1370 215.678,1371 548.483,1372 755.08,1373 518,1374 222,1375 558.318,1376 248.042,1377 559.505,1378 822.74,1379 526,1380 6.191}
{0 CHEMBL1091693,1 1.603,2 16.619,3 2.135,4 4.56,5 159.527,6 7.749,7 0.468,8 4.405,9 4.523,10 4.01,11 3.92,12 5.539,13 3.922,14 4.948,15 5.124,16 4.395,17 4.333,18 6.05,19 4.32,20 5.192,21 5.374,22 4.478,23 4.492,24 6.324,25 4.452,26 5.315,27 5.531,28 4.435,29 4.51,30 6.403,31 4.451,32 5.271,33 5.471,34 4.423,35 4.505,36 6.392,37 4.437,38 5.335,39 5.574,40 4.386,41 4.503,42 6.328,43 4.418,44 5.247,45 5.477,46 4.394,47 4.427,48 6.392,49 4.366,50 5.154,51 5.357,52 4.325,53 4.392,54 6.234,55 4.337,56 0.074,57 1.135,58 13.867,59 6.114,60 10.91,61 7.873,62 0.483,63 1.829,64 27.69,65 10.053,66 35.833,67 13.51,68 0.543,69 2.185,70 36.562,71 13.649,72 63.053,73 18.023,74 0.752,75 2.316,76 45.204,77 15.467,78 100.143,79 20.638,80 0.815,81 2.255,82 41.597,83 15.121,84 89.839,85 20.167,86 0.721,87 2.326,88 47.202,89 16.44,90 78.113,91 23.087,92 0.936,93 2.133,94 43.255,95 14.495,96 108.147,97 20.256,98 0.543,99 1.97,100 37.668,101 13.73,102 70.444,103 18.1,104 39,105 68,106 0.245,107 0.608,108 0.782,109 0.845,110 0.858,111 0.858,112 3.765,113 0.877,114 -2.66,115 -2.68,116 -2.61,119 42.5,121 2,122 1,124 3,125 2,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 7,174 2,175 15,178 2,179 1,180 3,183 5,186 1,187 14,190 1,192 3,195 4,198 2,199 9,204 3,207 8,211 4,212 5,215 3,217 3,220 8,223 3,224 6,229 1,232 8,236 4,237 13,240 2,242 1,245 7,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 3,275 3938,276 28.308,277 28.308,278 28.308,279 28.308,280 28.308,281 25.167,282 37.884,283 16.404,284 28.907,285 23.19,286 23.19,287 23.19,288 23.19,289 23.19,290 18.192,291 52.72,292 7.799,293 24.104,294 4.586,295 2.214,296 1.079,297 0.661,298 0.579,299 0.579,300 4.475,306 1532,307 4.301,310 190.378,311 516.908,314 358.141,318 2.649,319 46.245,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 91.5,331 698,332 4.736,333 3.797,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.075,351 3.56,352 6.288,353 3.906,354 2.919,355 3.483,356 0.86,357 9.221,358 2.88,359 3.996,360 3.373,361 6.055,362 3.636,363 2.674,364 3.328,365 0.8,366 8.626,367 2.566,368 3.88,369 2.892,370 5.673,371 3.563,372 2.629,373 3.278,374 0.555,375 7.752,376 2.458,377 3.85,378 2.776,379 5.529,380 3.423,381 2.454,382 3.199,383 0.247,384 7.329,385 2.372,386 3.602,387 2.556,388 5.372,389 3.165,390 2.197,391 2.927,393 6.745,394 2.117,395 3.387,396 2.473,397 5.24,398 2.99,399 2.032,400 2.663,402 6.132,403 1.942,404 3.23,405 2.243,406 4.959,407 2.937,408 1.951,409 2.448,411 5.445,412 1.909,413 3.184,414 2.194,415 4.822,416 2.799,417 1.822,418 2.278,420 5.101,421 1.764,422 3.03,423 1.98,424 4.724,425 2.615,426 1.681,427 2.166,428 4.853,429 1.565,430 2.848,431 1.862,432 4.607,433 2.562,434 1.61,435 1.98,436 4.678,437 1.521,438 2.838,439 1.771,440 4.159,441 2.348,442 1.385,443 1.88,445 3.27,446 1.33,447 2.668,448 1.519,449 3.727,450 2.185,451 1.212,452 1.737,454 2.992,455 1.176,456 2.5,457 1.335,458 3.571,459 2.038,460 1.087,461 1.5,463 2.728,464 1.029,465 19.633,466 0.467,467 1.151,468 0.027,469 57,470 1.357,471 28,472 0.667,473 29,474 0.69,475 38.117,476 0.908,477 44.567,478 0.611,479 50.989,480 1.214,481 11.261,482 0.268,483 9.018,484 0.215,485 0.127,487 0.392,493 0.76,494 1.471,495 0.732,496 1.131,497 0.543,498 0.954,499 0.811,500 0.962,501 0.798,502 0.842,503 0.538,504 0.803,505 0.998,506 1.165,507 0.985,508 1.113,509 0.89,510 1.053,511 1.225,512 0.968,513 1.026,514 0.959,515 1.293,516 0.96,517 0.99,518 1.017,519 1.074,520 1.091,521 1.132,522 1.104,523 0.834,524 0.98,525 0.904,526 0.99,527 0.817,528 0.965,529 0.828,530 0.872,531 0.84,532 0.857,533 0.64,534 0.847,535 1.177,536 1.039,537 0.963,538 1.002,539 1.067,540 0.963,541 8.5,542 0.302,543 4.889,544 4.118,545 2,546 1.772,547 1.132,548 0.879,549 0.62,550 0.576,551 32463,552 87189,553 2.114,554 42.5,556 20,557 1,558 3,559 2,560 1,561 4,564 1.811,565 1.969,566 3.961,567 0.149,573 117.046,574 1.603,575 3.976,576 5.11,577 5.529,578 5.611,579 5.611,580 3.5,581 5.011,582 5.356,583 4.167,584 3587.99,585 9.471,586 65186.7,591 451.857,592 1.441,593 5.32,594 0.181,595 0.006,596 0.072,597 0.058,598 0.03,599 0.027,600 0.018,601 0.014,602 0.01,603 0.01,604 0.426,605 0.33,606 0.63,607 0.786,608 242.251,609 -0.05,610 -0.275,611 0.062,612 -0.099,613 -0.031,614 -0.016,615 0.048,616 0.179,617 0.093,618 0.134,619 0.067,620 0.13,621 -0.04,622 -0.112,623 -0.061,624 -0.111,625 0.005,626 -0.09,627 -0.143,628 0.013,629 -0.034,630 0.028,631 -0.103,632 0.019,633 0.028,634 -0.011,635 -0.114,636 -0.092,637 -0.053,638 -0.128,639 0.044,640 -0.031,641 0.092,642 0.012,643 0.003,644 0.054,645 0.177,646 0.094,647 0.165,648 0.13,649 0.213,650 0.148,651 -0.129,652 -0.071,653 0.011,654 0.015,655 -0.068,656 0.033,657 2.115,658 6.416,659 0.714,660 62.456,661 1.009,662 1.128,663 1.434,664 2.056,665 0.671,666 3.871,667 4.234,668 4.543,669 4.844,670 5.081,671 5.204,672 5.442,673 5.631,674 5.759,675 5.927,676 9.383,677 0.648,678 565.69,679 3.871,680 5.442,681 6.315,682 7.215,683 8.105,684 9.01,685 9.91,686 10.819,687 11.725,688 12.638,689 9.6,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 73,733 26,734 1,735 47,737 78,738 31,739 18,740 3,741 3,742 3,746 6,747 8,751 1,755 2,756 1,758 2,761 23,762 8,763 1,766 4,771 3,773 1,775 4,781 31,782 10,783 2,784 11,790 7,794 0.667,795 4,805 2,807 1,811 2,812 4,815 2,827 1,831 2,840 4,844 3,848 42,854 4,855 2,856 1,858 1,859 2,870 5.5,873 3,875 1,877 21.333,878 14.167,879 9.028,880 4.294,881 4.958,882 1.525,883 1.006,884 7.713,885 14.395,886 4.143,887 4.756,888 5.36,889 5.962,890 6.505,891 6.839,892 7.325,893 7.771,894 8.107,895 8.559,896 1,897 71,898 15.6,900 6.811,901 7.806,902 29.536,904 24.631,905 2.306,906 96.833,910 341.362,911 180.523,912 77.74,914 86.435,917 180.523,918 427.797,919 77.74,920 25.189,921 48.426,922 75.381,923 161.116,924 65.623,925 16.047,926 294.278,928 341.362,929 258.264,930 86.435,933 294.278,934 133.519,937 79.183,938 130.79,939 48.291,941 341.362,942 164.175,943 180.523,946 341.362,947 52.811,948 135.86,949 36.022,950 120.006,951 341.362,952 164.175,953 180.523,955 0.591,956 0.351,957 0.19,958 0.101,959 34,960 16,961 0.064,962 5,963 2,964 1.133,965 5.103,966 441.654,967 0.133,968 30,969 220.477,974 27.95,975 11.59,976 5.658,977 1.714,978 162.276,979 17.282,980 8.576,984 3.629,985 1.934,986 36.022,987 686.06,988 62,993 38.337,995 1.75,997 -0.356,999 73.625,1000 82.308,1001 0.259,1002 0.642,1003 0.826,1004 0.893,1005 0.906,1006 0.906,1007 5.409,1008 2.032,1009 6.319,1010 6.745,1011 4.92,1012 5.445,1013 2.703,1014 7.168,1015 4.849,1016 6.627,1017 1.951,1018 7.903,1019 6.132,1020 4.575,1021 5.308,1022 2.078,1023 8.127,1024 4.481,1025 7.947,1026 1.822,1027 9.586,1028 5.445,1029 6.553,1030 7.652,1031 3.44,1032 11.263,1033 6.42,1034 9.301,1035 1.681,1036 11.327,1037 5.101,1038 7.022,1039 8.359,1040 3.478,1041 13.076,1042 6.872,1043 10.69,1044 1.61,1045 13.106,1046 4.853,1047 8.485,1048 10.2,1049 4.477,1050 15.739,1051 8.3,1052 12.103,1053 1.385,1054 14.912,1055 4.678,1056 9.329,1057 11.323,1058 4.812,1059 17.919,1060 9.127,1061 13.537,1062 1.212,1063 16.738,1064 3.27,1065 10.595,1066 12.967,1067 5.638,1068 20.429,1069 10.363,1070 3.315,1071 1.087,1072 18.581,1073 2.992,1074 11.614,1075 14.3,1076 6.121,1077 22.766,1078 11.361,1079 3.172,1080 11.949,1081 20.437,1082 2.728,1083 12.807,1084 15.867,1085 6.86,1086 25.231,1087 12.527,1088 2.919,1089 10.802,1090 22.304,1091 4.706,1092 13.906,1093 17.305,1094 7.421,1095 27.636,1096 13.603,1097 2.674,1098 9.221,1099 24.18,1100 4.126,1101 15.076,1102 18.846,1103 8.117,1104 30.09,1105 14.747,1106 2.629,1107 8.626,1108 26.064,1109 3.483,1110 16.213,1111 20.334,1112 8.721,1113 32.526,1114 15.858,1115 2.454,1116 7.752,1117 27.955,1118 3.328,1119 17.379,1120 21.868,1121 9.396,1122 34.982,1123 16.997,1124 2.197,1125 7.329,1126 29.851,1127 3.278,1128 18.534,1129 23.382,1130 10.024,1131 37.432,1132 18.125,1133 30204,1134 49768,1135 31.441,1136 48.995,1137 72.731,1138 75.044,1139 73.97,1140 71.648,1141 71.572,1142 92.585,1143 12.118,1144 212.106,1145 69.042,1146 5.736,1147 5.797,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.352,1154 5.213,1155 22.456,1156 1.547,1157 1.597,1158 1.574,1159 1.524,1160 1.523,1161 1.97,1162 0.258,1163 4.513,1164 1.469,1165 4.159,1166 4.195,1167 4.131,1168 4.048,1169 7.433,1170 4.064,1171 3.984,1172 4.002,1173 3.953,1174 3.886,1175 7.427,1176 3.898,1177 3.879,1178 3.928,1179 3.815,1180 3.746,1181 7.425,1182 3.756,1183 3.854,1184 3.9,1185 3.767,1186 3.713,1187 5.029,1188 3.717,1189 3.579,1190 3.651,1191 3.513,1192 3.412,1193 4.908,1194 3.427,1195 3.535,1196 3.572,1197 3.449,1198 3.302,1199 4.846,1200 3.327,1201 3.414,1202 3.482,1203 3.308,1204 3.221,1205 4.442,1206 3.231,1207 3.325,1208 3.37,1209 3.244,1210 3.078,1211 4.329,1212 3.122,1213 0.101,1214 0.081,1215 0.149,1216 0.091,1217 0.071,1218 4.736,1219 0.1,1220 3.797,1221 0.041,1222 6.998,1223 0.254,1224 4.283,1225 0.068,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.213,1231 1.939,1232 1.905,1233 2.067,1234 2.085,1235 1.42,1236 2.08,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.1,1242 1.993,1243 1.816,1244 1.777,1245 1.928,1246 1.951,1247 1.077,1248 1.942,1249 1.783,1250 1.742,1251 1.908,1252 1.943,1253 0.944,1254 1.939,1255 1.652,1256 1.61,1257 1.795,1258 1.834,1259 0.886,1260 1.825,1261 1.482,1262 1.399,1263 1.764,1264 1.753,1265 0.84,1266 1.76,1267 1.369,1268 1.322,1269 1.559,1270 1.582,1271 0.825,1272 1.566,1273 1.253,1274 1.21,1275 1.513,1276 1.563,1277 0.642,1278 1.514,1279 4.554,1281 5.905,1282 3.045,1283 7.444,1284 5.533,1285 9.066,1286 7.719,1287 10.735,1289 5.519,1295 3.049,1296 5.451,1297 5.975,1299 0.023,1300 3.95,1305 47.331,1306 117.046,1307 290.215,1308 373.063,1309 403.593,1310 409.593,1311 409.593,1312 85.169,1313 9.437,1314 125.6,1315 125.6,1316 34,1317 13.153,1318 4.755,1319 4,1320 61.767,1321 234,1322 264,1323 0.126,1324 286.334,1325 502.3,1326 690.415,1327 216749,1329 29.38,1330 0.7,1331 0.563,1332 29.38,1333 23.626,1334 20.279,1335 0.431,1336 0.292,1337 13.514,1338 19.379,1339 13.152,1340 10.906,1341 20.279,1342 13.747,1343 18.861,1344 0.277,1345 0.157,1346 18.861,1347 10.69,1348 16.213,1349 0.174,1350 0.082,1351 16.213,1352 7.622,1353 13.73,1354 0.109,1355 0.044,1356 13.73,1357 5.563,1358 11.199,1359 0.07,1360 0.024,1361 11.199,1362 3.845,1363 0.203,1364 127.971,1365 0.178,1366 37.671,1367 0.336,1368 230,1369 689.833,1370 254.422,1371 663.324,1372 909.77,1373 620,1374 276,1375 678.013,1376 302.256,1377 686.099,1378 1006.77,1379 643,1380 5.693}
{0 CHEMBL1091694,1 1.574,2 17.364,3 2.833,4 8.025,5 169.023,6 7.516,7 0.449,8 4.473,9 4.595,10 4.051,11 3.988,12 5.577,13 3.981,14 5.026,15 5.206,16 4.432,17 4.395,18 6.095,19 4.37,20 5.285,21 5.488,22 4.526,23 4.554,24 6.358,25 4.509,26 5.372,27 5.578,28 4.511,29 4.596,30 6.465,31 4.534,32 5.413,33 5.624,34 4.488,35 4.612,36 6.51,37 4.532,38 5.45,39 5.694,40 4.451,41 4.619,42 6.398,43 4.518,44 5.408,45 5.656,46 4.442,47 4.547,48 6.476,49 4.457,50 5.303,51 5.545,52 4.359,53 4.465,54 6.302,55 4.392,56 0.052,57 1.212,58 15.817,59 6.778,60 10.677,61 8.988,62 0.445,63 1.96,64 31.084,65 11.211,66 36.927,67 15.523,68 0.592,69 2.362,70 42.65,71 14.744,72 66.102,73 20.341,74 0.626,75 2.48,76 47.331,77 16.65,78 88.709,79 22.48,80 0.93,81 2.52,82 50.279,83 17.649,84 116.928,85 23.932,86 0.686,87 2.593,88 53.329,89 18.835,90 78.151,91 26.842,92 0.936,93 2.448,94 52.147,95 17.576,96 117.363,97 25.318,98 0.632,99 2.208,100 46.895,101 15.698,102 78.519,103 21.952,104 43,105 70,106 0.237,107 0.592,108 0.782,109 0.84,110 0.851,111 0.851,112 3.81,113 0.912,114 -3.04,115 -3.04,116 -2.93,119 41.8,120 2,121 2,122 1,124 1,125 4,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 7,174 2,175 17,178 2,179 1,180 3,183 5,186 1,187 14,190 1,192 3,195 4,198 2,199 11,204 3,207 11,211 4,212 5,215 3,217 3,220 12,223 3,224 6,229 1,232 8,236 4,237 15,240 2,242 1,245 7,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 7,275 4606,276 30.049,277 30.049,278 30.049,279 30.049,280 30.049,281 26.907,282 41.046,283 17.422,284 30.719,285 24.048,286 24.048,287 24.048,288 24.048,289 24.048,290 19.064,291 56.256,292 8.094,293 25.017,294 4.73,295 2.379,296 1.121,297 0.738,298 0.662,299 0.662,300 4.52,306 1667,307 4.528,310 203.042,311 550.918,314 382.116,318 2.822,319 47.569,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 95.5,331 764,332 4.736,333 3.817,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.109,351 3.56,352 6.385,353 3.943,354 2.961,355 3.483,356 0.86,357 9.618,358 2.907,359 3.996,360 3.373,361 6.061,362 3.637,363 2.675,364 3.328,365 0.8,366 8.665,367 2.566,368 3.885,369 2.894,370 5.673,371 3.577,372 2.644,373 3.292,374 0.555,375 7.752,376 2.467,377 3.852,378 2.776,379 5.53,380 3.424,381 2.454,382 3.221,383 0.247,384 7.329,385 2.373,386 3.602,387 2.556,388 5.378,389 3.165,390 2.198,391 2.927,393 6.748,394 2.118,395 3.388,396 2.473,397 5.247,398 3.1,399 2.143,400 2.663,402 6.277,403 2.041,404 3.244,405 2.378,406 5.19,407 2.951,408 1.963,409 2.448,411 6.003,412 1.928,413 3.226,414 2.216,415 4.876,416 2.799,417 1.823,418 2.314,420 5.164,421 1.764,422 3.032,423 2.095,424 4.741,425 2.678,426 1.736,427 2.17,428 5.014,429 1.629,430 2.938,431 1.874,432 4.608,433 2.562,434 1.611,435 1.988,436 4.709,437 1.521,438 2.847,439 1.777,440 4.186,441 2.348,442 1.385,443 1.979,445 3.329,446 1.33,447 2.675,448 1.519,449 3.727,450 2.193,451 1.221,452 1.748,454 2.992,455 1.184,456 2.5,457 1.335,458 3.635,459 2.104,460 1.131,461 1.5,463 2.748,464 1.092,465 20.633,466 0.469,467 1.075,468 0.024,469 58,470 1.318,471 28,472 0.636,473 30,474 0.682,475 43.075,476 0.979,477 47.167,478 0.597,479 51.75,480 1.176,481 11.227,482 0.255,483 10.128,484 0.23,485 0.121,487 0.373,493 0.755,494 1.473,495 0.761,496 1.151,497 0.544,498 0.982,499 0.785,500 1.06,501 0.817,502 0.927,503 0.533,504 0.871,505 1.033,506 1.048,507 0.931,508 0.967,509 0.875,510 0.927,511 1.212,512 1.061,513 1.053,514 1.064,515 1.268,516 1.039,517 1.132,518 0.973,519 1.093,520 1.039,521 1.386,522 1.067,523 0.793,524 1.001,525 0.917,526 1.023,527 0.775,528 0.997,529 0.74,530 0.928,531 0.837,532 0.919,533 0.583,534 0.897,535 1.133,536 0.89,537 0.872,538 0.834,539 0.972,540 0.815,541 8.5,542 0.318,543 5.111,544 4.493,545 2,546 1.772,547 1.173,548 0.934,549 0.62,550 0.576,551 36777,552 94463,553 2.109,554 44.3,556 18,557 1,558 3,559 2,560 1,561 10,564 1.822,565 1.97,566 4.024,567 0.126,573 124.357,574 1.574,575 3.925,576 5.183,577 5.566,578 5.642,579 5.642,580 3.511,581 5.05,582 5.423,583 4.233,584 4004.67,585 9.604,586 75787.7,591 497.999,592 1.423,593 5.389,594 0.173,595 0.006,596 0.073,597 0.06,598 0.028,599 0.026,600 0.018,601 0.014,602 0.01,603 0.009,604 0.416,605 0.33,606 0.63,607 0.967,608 257.737,609 -0.039,610 -0.262,611 0.063,612 -0.093,613 -0.024,614 -0.014,615 0.076,616 0.083,617 0.092,618 0.066,619 0.074,620 0.082,621 -0.04,622 0.008,623 0.025,624 0.022,625 0.014,626 0.039,627 -0.128,628 -0.049,629 -0.081,630 -0.066,631 -0.07,632 -0.065,633 -0.01,634 0.016,635 -0.108,636 -0.04,637 -0.093,638 -0.089,639 0.052,640 -0.046,641 0.065,642 -0.017,643 0.015,644 0.02,645 0.2,646 0.018,647 0.167,648 0.072,649 0.216,650 0.11,651 -0.094,652 0.054,653 0.138,654 0.158,655 -0.022,656 0.185,657 2.114,658 6.465,659 0.682,660 70.291,661 1.005,662 1.128,663 1.807,664 3.266,665 0.665,666 3.912,667 4.263,668 4.585,669 4.883,670 5.106,671 5.226,672 5.46,673 5.659,674 5.796,675 5.958,676 9.801,677 0.638,678 593.75,679 3.912,680 5.476,681 6.351,682 7.248,683 8.138,684 9.042,685 9.941,686 10.849,687 11.754,688 12.666,689 8.9,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 79,733 26,734 1,735 49,737 84,738 33,739 18,740 3,741 3,742 3,746 6,747 8,751 1,752 2,755 2,756 1,758 2,761 23,762 10,763 1,766 4,771 3,773 1,775 4,781 35,782 10,783 2,784 11,790 7,794 0.667,795 4,805 2,807 1,811 2,812 4,815 2,827 1,831 2,840 4,844 3,848 44,854 6,855 2,856 1,858 1,859 2,870 5.1,873 3,875 1,877 22.333,878 15.167,879 9.694,880 5.094,881 4.958,882 1.519,883 0.999,884 8.691,885 14.519,886 4.174,887 4.773,888 5.378,889 5.98,890 6.511,891 6.843,892 7.327,893 7.774,894 8.112,895 8.564,896 0.917,897 75,898 16.371,900 7.109,901 7.769,902 31.169,904 25.941,905 2.269,906 99.833,910 388.446,911 185.593,912 77.74,914 86.435,917 185.593,918 474.881,919 77.74,920 26.047,921 52.638,922 75.381,923 161.116,924 65.623,925 16.047,926 341.362,928 388.446,929 263.333,930 86.435,933 270.735,934 204.146,937 101.045,938 113.997,939 48.291,941 388.446,942 164.175,943 185.593,946 388.446,947 57.022,948 136.718,949 36.022,950 120.006,951 388.446,952 164.175,953 185.593,955 0.584,956 0.356,957 0.197,958 0.101,959 34,960 16,961 0.083,962 7,963 2,964 1.133,965 5.248,966 467.43,967 0.133,968 30,969 232.215,974 29.858,975 12.808,976 6.108,977 1.725,978 162.276,979 17.334,980 8.604,984 3.648,985 1.942,986 36.022,987 738.214,988 64,993 38.877,995 1.759,997 -0.279,999 79.392,1000 89.139,1001 0.25,1002 0.623,1003 0.822,1004 0.883,1005 0.895,1006 0.895,1007 5.436,1008 2.143,1009 6.347,1010 6.748,1011 4.949,1012 5.462,1013 2.703,1014 7.197,1015 4.877,1016 6.645,1017 1.963,1018 7.931,1019 6.277,1020 4.575,1021 5.308,1022 2.078,1023 8.162,1024 4.481,1025 7.963,1026 1.823,1027 9.613,1028 6.003,1029 6.581,1030 7.661,1031 3.44,1032 11.297,1033 6.444,1034 9.316,1035 1.736,1036 11.354,1037 5.164,1038 7.04,1039 8.363,1040 3.478,1041 13.113,1042 6.886,1043 10.704,1044 1.611,1045 13.134,1046 5.014,1047 8.511,1048 10.206,1049 4.477,1050 15.774,1051 8.321,1052 12.116,1053 1.385,1054 14.941,1055 4.709,1056 9.352,1057 11.327,1058 4.812,1059 17.953,1060 9.144,1061 13.55,1062 1.221,1063 16.768,1064 3.329,1065 10.621,1066 12.97,1067 5.638,1068 20.462,1069 10.381,1070 3.315,1071 1.131,1072 18.612,1073 2.992,1074 11.638,1075 14.303,1076 6.121,1077 22.796,1078 11.379,1079 3.172,1080 11.949,1081 20.468,1082 2.748,1083 12.832,1084 15.869,1085 6.86,1086 25.259,1087 12.545,1088 2.961,1089 10.802,1090 22.335,1091 4.706,1092 13.93,1093 17.307,1094 7.421,1095 27.661,1096 13.62,1097 2.675,1098 9.618,1099 24.212,1100 4.126,1101 15.101,1102 18.847,1103 8.117,1104 30.113,1105 14.764,1106 2.644,1107 8.665,1108 26.096,1109 3.483,1110 16.237,1111 20.335,1112 8.721,1113 32.545,1114 15.875,1115 2.454,1116 7.752,1117 27.986,1118 3.328,1119 17.402,1120 21.869,1121 9.396,1122 34.999,1123 17.014,1124 2.198,1125 7.329,1126 29.882,1127 3.292,1128 18.557,1129 23.382,1130 10.024,1131 37.447,1132 18.142,1133 34398,1134 55504,1135 32.827,1136 52.517,1137 74.705,1138 77.097,1139 77.234,1140 73.805,1141 73.771,1142 94.788,1143 12.118,1144 217.658,1145 71.183,1146 5.736,1147 5.817,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.352,1154 5.213,1155 23.17,1156 1.525,1157 1.573,1158 1.576,1159 1.506,1160 1.506,1161 1.934,1162 0.247,1163 4.442,1164 1.453,1165 4.16,1166 4.196,1167 4.131,1168 4.049,1169 7.433,1170 4.065,1171 3.984,1172 4.003,1173 3.953,1174 3.886,1175 7.427,1176 3.898,1177 3.888,1178 3.938,1179 3.816,1180 3.749,1181 7.425,1182 3.758,1183 3.857,1184 3.902,1185 3.779,1186 3.72,1187 5.029,1188 3.725,1189 3.654,1190 3.733,1191 3.534,1192 3.457,1193 4.908,1194 3.464,1195 3.547,1196 3.576,1197 3.49,1198 3.393,1199 4.846,1200 3.404,1201 3.432,1202 3.495,1203 3.332,1204 3.247,1205 4.442,1206 3.263,1207 3.327,1208 3.407,1209 3.254,1210 3.123,1211 4.329,1212 3.124,1213 0.097,1214 0.078,1215 0.143,1216 0.087,1217 0.068,1218 4.736,1219 0.096,1220 3.817,1221 0.04,1222 6.998,1223 0.244,1224 4.283,1225 0.066,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.213,1231 1.94,1232 1.906,1233 2.069,1234 2.086,1235 1.422,1236 2.082,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.122,1242 1.993,1243 1.816,1244 1.777,1245 1.93,1246 1.964,1247 1.089,1248 1.954,1249 1.792,1250 1.75,1251 1.926,1252 1.943,1253 1.069,1254 1.941,1255 1.652,1256 1.611,1257 1.871,1258 1.856,1259 0.944,1260 1.86,1261 1.613,1262 1.534,1263 1.793,1264 1.807,1265 0.886,1266 1.812,1267 1.375,1268 1.332,1269 1.725,1270 1.585,1271 0.869,1272 1.638,1273 1.351,1274 1.256,1275 1.56,1276 1.584,1277 0.825,1278 1.569,1279 4.595,1281 5.938,1282 3.045,1283 7.474,1284 5.533,1285 9.095,1286 7.719,1287 10.764,1289 5.968,1295 4.546,1296 5.463,1297 5.996,1299 0.032,1300 4.22,1305 50.384,1306 124.357,1307 310.063,1308 409.469,1309 439.734,1310 445.734,1311 445.734,1312 92.549,1313 9.561,1314 125.6,1315 125.6,1316 34,1317 13.182,1318 4.755,1319 4,1320 66.266,1321 254,1322 290,1323 0.124,1324 305.519,1325 536.9,1326 737.226,1327 253295,1329 30.794,1330 0.7,1331 0.569,1332 30.794,1333 25.04,1334 21.355,1335 0.436,1336 0.304,1337 14.675,1338 20.454,1339 14.321,1340 11.86,1341 21.355,1342 14.899,1343 19.194,1344 0.274,1345 0.157,1346 19.194,1347 10.967,1348 16.954,1349 0.175,1350 0.085,1351 16.954,1352 8.256,1353 14.603,1354 0.111,1355 0.046,1356 14.603,1357 5.992,1358 11.471,1359 0.07,1360 0.025,1361 11.471,1362 4.028,1363 0.199,1364 134.258,1365 0.175,1366 39.153,1367 0.328,1368 238,1369 697.833,1370 263.088,1371 670.229,1372 923.95,1373 628,1374 286,1375 692.717,1376 312.589,1377 696.622,1378 1027.45,1379 657,1380 6.511}
{0 CHEMBL1091695,1 1.616,2 17.956,3 1.823,4 3.323,5 168.601,6 7.791,7 0.431,8 4.482,9 4.595,10 4.094,11 3.991,12 5.589,13 3.997,14 5.047,15 5.212,16 4.477,17 4.411,18 6.13,19 4.4,20 5.308,21 5.501,22 4.549,23 4.569,24 6.385,25 4.527,26 5.373,27 5.582,28 4.511,29 4.581,30 6.448,31 4.522,32 5.365,33 5.566,34 4.512,35 4.579,36 6.499,37 4.515,38 5.408,39 5.635,40 4.478,41 4.599,42 6.382,43 4.515,44 5.393,45 5.627,46 4.473,47 4.536,48 6.483,49 4.464,50 5.29,51 5.516,52 4.381,53 4.458,54 6.315,55 4.396,56 0.098,57 1.208,58 14.837,59 6.683,60 11.733,61 8.438,62 0.576,63 1.976,64 30.393,65 11.164,66 41.435,67 14.562,68 0.791,69 2.393,70 42.481,71 15.059,72 72.769,73 19.981,74 0.766,75 2.464,76 46.96,77 16.616,78 93.359,79 22.11,80 1.068,81 2.423,82 46.493,83 16.603,84 118.442,85 21.952,86 0.782,87 2.517,88 49.618,89 17.853,90 77.994,91 24.685,92 1.094,93 2.412,94 50.725,95 17.049,96 120.272,97 23.749,98 0.833,99 2.177,100 45.587,101 15.38,102 83.58,103 20.726,104 17,105 73,106 0.244,107 0.607,108 0.791,109 0.85,110 0.862,111 0.862,112 3.832,113 0.886,114 -2.32,115 -2.36,116 -2.32,119 42.3,121 2,122 1,124 1,125 6,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 7,174 2,175 15,178 2,179 1,180 3,183 5,186 2,187 14,190 1,192 3,195 4,198 2,199 9,204 3,207 8,211 5,212 6,215 3,217 3,220 8,223 3,224 8,229 1,232 8,236 4,237 13,240 2,242 1,245 7,249 1,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 3,275 4941,276 30.877,277 30.877,278 30.877,279 30.877,280 30.877,281 27.736,282 41.822,283 18.121,284 31.636,285 25.21,286 25.21,287 25.21,288 25.21,289 25.21,290 20.226,291 57.796,292 8.656,293 26.373,294 4.669,295 2.26,296 1.039,297 0.651,298 0.574,299 0.574,300 4.553,306 1806,307 4,310 205.884,311 713.132,314 387.059,318 2.93,319 51.659,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 98.5,331 808,332 4.736,333 3.82,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.117,351 3.56,352 6.392,353 3.952,354 2.972,355 3.483,356 0.86,357 9.674,358 2.911,359 3.996,360 3.373,361 6.061,362 3.637,363 2.676,364 3.328,365 0.86,366 8.669,367 2.566,368 3.886,369 2.895,370 5.673,371 3.582,372 2.65,373 3.295,374 0.8,375 7.752,376 2.471,377 3.853,378 2.776,379 5.53,380 3.424,381 2.454,382 3.225,383 0.555,384 7.329,385 2.374,386 3.602,387 2.599,388 5.38,389 3.169,390 2.22,391 2.927,392 0.247,393 6.751,394 2.119,395 3.389,396 2.556,397 5.257,398 3.162,399 2.193,400 2.663,402 6.43,403 2.094,404 3.287,405 2.473,406 5.217,407 2.953,408 1.966,409 2.448,411 6.059,412 1.929,413 3.228,414 2.224,415 4.879,416 2.8,417 1.824,418 2.342,420 5.18,421 1.764,422 3.036,423 2.157,424 4.742,425 2.724,426 1.782,427 2.174,428 5.028,429 1.67,430 3.004,431 1.944,432 4.608,433 2.562,434 1.611,435 2.064,436 4.712,437 1.521,438 2.847,439 1.862,440 4.198,441 2.385,442 1.48,443 1.98,445 3.48,446 1.331,447 2.687,448 1.773,449 3.86,450 2.348,451 1.385,452 1.758,454 3.127,455 1.329,456 2.611,457 1.519,458 3.727,459 2.181,460 1.21,461 1.603,463 2.992,464 1.172,465 20.967,466 0.466,467 1.075,468 0.024,469 59.5,470 1.322,471 28,472 0.622,473 31.5,474 0.7,475 42.614,476 0.947,477 48.033,478 0.616,479 53.225,480 1.183,481 11.682,482 0.26,483 10.259,484 0.228,485 0.072,487 0.367,493 0.777,494 1.464,495 0.721,496 1.144,497 0.537,498 0.953,499 0.937,500 1.046,501 0.873,502 0.919,503 0.582,504 0.878,505 1.02,506 1.059,507 0.987,508 1.001,509 0.88,510 0.984,511 1.081,512 1.03,513 1.015,514 1.035,515 1.243,516 1.016,517 0.997,518 0.965,519 1.053,520 1.026,521 1.316,522 1.054,523 0.805,524 1.034,525 0.946,526 1.059,527 0.802,528 1.036,529 0.838,530 0.932,531 0.885,532 0.924,533 0.622,534 0.916,535 1.144,536 0.905,537 0.93,538 0.858,539 1.01,540 0.858,541 8,542 0.277,543 4.889,544 4.306,545 2.031,546 1.73,547 1.131,548 0.927,549 0.607,550 0.54,551 41477,552 110551,553 2.172,554 42.3,556 22,557 1,558 3,559 2,560 1,561 4,564 1.826,565 2.061,566 4.069,567 0.137,573 126.07,574 1.616,575 4.026,576 5.247,577 5.635,578 5.712,579 5.712,580 3.561,581 5.075,582 5.455,583 4.269,584 4226.56,585 9.667,586 81522.3,591 490.261,592 1.312,593 5.436,594 0.157,595 0.005,596 0.067,597 0.057,598 0.028,599 0.024,600 0.016,601 0.014,602 0.009,603 0.009,604 0.386,605 0.33,606 0.63,607 0.432,608 265.572,609 -0.052,610 -0.268,611 0.068,612 -0.102,613 -0.015,614 -0.013,615 -0.015,616 0.088,617 0.019,618 0.064,619 0.038,620 0.053,621 -0.056,622 -0.016,623 -0.042,624 -0.011,625 -0.007,626 -0.018,627 -0.109,628 -0.034,629 -0.043,630 -0.038,631 -0.076,632 -0.029,633 0.041,634 0.031,635 -0.081,636 -0.028,637 -0.046,638 -0.074,639 0.024,640 -0.065,641 0.029,642 -0.05,643 0.003,644 -0.016,645 0.13,646 0.017,647 0.127,648 0.067,649 0.192,650 0.093,651 -0.107,652 0.04,653 0.081,654 0.139,655 -0.05,656 0.145,657 2.115,658 6.484,659 0.8,660 73.973,661 1.011,662 1.127,663 1.09,664 1.188,665 0.669,666 3.951,667 4.304,668 4.625,669 4.934,670 5.176,671 5.278,672 5.509,673 5.7,674 5.844,675 6.019,676 10.022,677 0.648,678 607.73,679 3.951,680 5.517,681 6.392,682 7.288,683 8.178,684 9.081,685 9.98,686 10.887,687 11.791,688 12.702,689 9,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 78,733 26,734 1,735 51,737 84,738 33,739 18,740 3,741 3,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 23,762 10,763 1,766 4,771 3,773 1,775 4,781 33,782 11,783 2,784 12,790 7,794 0.714,795 5,805 2,807 1,811 2,812 5,815 2,827 1,831 2,839 1,840 5,844 1,848 45,854 8,855 2,856 2,858 1,859 2,870 6.4,873 3,874 1,875 1,877 21.833,878 14.333,879 9.694,880 4.761,881 4.959,882 1.503,883 1.016,884 8.278,885 14.818,886 4.205,887 4.798,888 5.396,889 5.997,890 6.531,891 6.856,892 7.336,893 7.779,894 8.117,895 8.569,896 1,897 76,898 16.762,900 7.393,901 7.774,902 31.922,904 26.992,905 2.274,906 102.333,910 364.904,911 177.127,912 77.74,914 97.435,917 177.127,918 462.339,919 77.74,920 8.396,921 61.822,922 75.381,923 172.116,924 65.623,925 16.047,926 317.82,928 364.904,929 254.867,930 97.435,933 317.82,934 133.519,935 11,937 92.579,938 113.997,939 48.291,941 364.904,942 175.175,943 177.127,946 364.904,947 66.207,948 119.068,949 36.022,950 131.006,951 364.904,952 175.175,953 177.127,955 0.586,956 0.35,957 0.196,958 0.106,959 37,960 16,961 0.06,962 5,963 2,964 1.111,965 5.439,966 488.535,967 0.111,968 36,969 239.133,974 29.476,975 12.638,976 6.057,977 1.715,978 173.276,979 17.321,980 8.609,984 3.628,985 1.94,986 36.022,987 717.206,988 66,993 39.043,995 1.757,997 -0.299,999 78.836,1000 87.933,1001 0.257,1002 0.64,1003 0.835,1004 0.896,1005 0.909,1006 0.909,1007 5.47,1008 2.193,1009 6.382,1010 6.751,1011 4.99,1012 5.487,1013 2.798,1014 7.223,1015 4.911,1016 6.671,1017 1.966,1018 7.956,1019 6.43,1020 4.575,1021 5.308,1022 2.078,1023 8.162,1024 4.481,1025 7.984,1026 1.824,1027 9.631,1028 6.059,1029 6.611,1030 7.672,1031 3.474,1032 11.31,1033 6.465,1034 9.331,1035 1.782,1036 11.367,1037 5.18,1038 7.04,1039 8.363,1040 3.478,1041 13.117,1042 6.886,1043 10.716,1044 1.611,1045 13.144,1046 5.028,1047 8.533,1048 10.21,1049 4.486,1050 15.782,1051 8.334,1052 12.126,1053 1.48,1054 14.948,1055 4.712,1056 9.356,1057 11.327,1058 4.812,1059 17.959,1060 9.146,1061 13.557,1062 1.385,1063 16.774,1064 3.48,1065 10.636,1066 12.972,1067 5.64,1068 20.468,1069 10.39,1070 3.315,1071 1.21,1072 18.616,1073 3.127,1074 11.644,1075 14.303,1076 6.121,1077 22.801,1078 11.382,1079 3.172,1080 11.949,1081 20.472,1082 2.992,1083 12.844,1084 15.87,1085 6.861,1086 25.264,1087 12.551,1088 2.972,1089 10.802,1090 22.339,1091 4.706,1092 13.937,1093 17.307,1094 7.421,1095 27.665,1096 13.624,1097 2.676,1098 9.674,1099 24.215,1100 4.126,1101 15.11,1102 18.847,1103 8.117,1104 30.117,1105 14.768,1106 2.65,1107 8.669,1108 26.099,1109 3.483,1110 16.244,1111 20.335,1112 8.721,1113 32.549,1114 15.878,1115 2.454,1116 7.752,1117 27.989,1118 3.328,1119 17.41,1120 21.869,1121 9.396,1122 35.002,1123 17.018,1124 2.22,1125 7.329,1126 29.885,1127 3.295,1128 18.564,1129 23.382,1130 10.024,1131 37.45,1132 18.145,1133 37724,1134 61849,1135 34.906,1136 52.211,1137 78.314,1138 80.96,1139 79.277,1140 77.423,1141 77.392,1142 98.413,1143 13.838,1144 226.983,1145 74.26,1146 5.736,1147 5.82,1148 6.8,1149 5.387,1150 5.315,1151 7.706,1152 3.348,1153 19.353,1154 5.213,1155 18.741,1156 1.536,1157 1.587,1158 1.554,1159 1.518,1160 1.517,1161 1.93,1162 0.271,1163 4.451,1164 1.456,1165 4.16,1166 4.196,1167 4.131,1168 4.049,1169 7.433,1170 4.065,1171 3.984,1172 4.003,1173 3.953,1174 3.886,1175 7.427,1176 3.898,1177 3.9,1178 3.948,1179 3.821,1180 3.751,1181 7.425,1182 3.76,1183 3.86,1184 3.904,1185 3.792,1186 3.723,1187 5.03,1188 3.731,1189 3.718,1190 3.78,1191 3.596,1192 3.509,1193 4.908,1194 3.522,1195 3.549,1196 3.577,1197 3.502,1198 3.4,1199 4.846,1200 3.414,1201 3.44,1202 3.499,1203 3.351,1204 3.25,1205 4.615,1206 3.268,1207 3.328,1208 3.371,1209 3.261,1210 3.08,1211 4.441,1212 3.124,1213 0.093,1214 0.075,1215 0.137,1216 0.084,1217 0.065,1218 4.736,1219 0.092,1220 3.82,1221 0.038,1222 6.998,1223 0.234,1224 4.283,1225 0.063,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.213,1231 1.94,1232 1.906,1233 2.069,1234 2.088,1235 1.423,1236 2.083,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.187,1242 1.993,1243 1.816,1244 1.777,1245 1.931,1246 1.986,1247 1.096,1248 1.97,1249 1.799,1250 1.758,1251 1.926,1252 1.943,1253 1.074,1254 1.941,1255 1.654,1256 1.613,1257 1.872,1258 1.886,1259 0.944,1260 1.884,1261 1.652,1262 1.592,1263 1.793,1264 1.818,1265 0.886,1266 1.815,1267 1.376,1268 1.334,1269 1.56,1270 1.586,1271 0.825,1272 1.569,1273 1.253,1274 1.21,1275 1.513,1276 1.565,1277 0.825,1278 1.514,1279 4.635,1281 5.979,1282 3.045,1283 7.516,1284 5.533,1285 9.138,1286 7.719,1287 10.806,1289 1.926,1295 5.571,1296 5.463,1297 11.413,1299 0.012,1300 4.235,1305 50.572,1306 126.07,1307 313.995,1308 409.242,1309 439.506,1310 445.506,1311 445.506,1312 88.138,1313 9.86,1314 134.83,1315 134.83,1316 40,1317 13.218,1318 4.755,1319 4,1320 62.429,1321 265,1322 303,1323 0.111,1324 302.122,1325 533.33,1326 728.937,1327 372807,1329 30.915,1330 0.687,1331 0.552,1332 30.915,1333 24.862,1334 21.941,1335 0.43,1336 0.295,1337 14.799,1338 20.911,1339 14.545,1340 11.918,1341 21.941,1342 15.063,1343 20.015,1344 0.274,1345 0.156,1346 20.015,1347 11.395,1348 17.555,1349 0.174,1350 0.084,1351 17.555,1352 8.504,1353 15.231,1354 0.11,1355 0.045,1356 15.231,1357 6.24,1358 12.509,1359 0.071,1360 0.025,1361 12.509,1362 4.381,1363 0.178,1364 138.773,1365 0.169,1366 39.963,1367 0.292,1368 248,1369 751.569,1370 275.967,1371 713.235,1372 978.77,1373 670,1374 298,1375 724.353,1376 327.69,1377 726.717,1378 1073.33,1379 685,1380 5.575}
{0 CHEMBL1091696,1 1.598,2 18.213,3 2.341,4 5.482,5 175.482,6 7.729,7 0.407,8 4.536,9 4.648,10 4.145,11 4.058,12 5.615,13 4.06,14 5.119,15 5.281,16 4.555,17 4.499,18 6.176,19 4.484,20 5.411,21 5.608,22 4.606,23 4.654,24 6.451,25 4.603,26 5.453,27 5.676,28 4.541,29 4.638,30 6.486,31 4.57,32 5.4,33 5.602,34 4.562,35 4.618,36 6.525,37 4.557,38 5.448,39 5.668,40 4.529,41 4.649,42 6.439,43 4.57,44 5.445,45 5.672,46 4.529,47 4.618,48 6.514,49 4.54,50 5.396,51 5.632,52 4.425,53 4.546,54 6.374,55 4.466,56 0.084,57 1.27,58 15.865,59 7.189,60 12.138,61 9.107,62 0.522,63 2.128,64 32.513,65 12.374,66 40.979,67 16.171,68 0.849,69 2.62,70 47.965,71 17.019,72 79.301,73 22.57,74 0.807,75 2.656,76 52.194,77 18.038,78 97.734,79 24.419,80 1.018,81 2.515,82 48.343,83 17.374,84 112.523,85 23.081,86 0.82,87 2.623,88 51.572,89 18.581,90 89.601,91 25.273,92 1.047,93 2.582,94 52.446,95 18.32,96 119.069,97 25.286,98 0.819,99 2.416,100 51.132,101 17.606,102 85.843,103 24.076,104 17,105 79,106 0.238,107 0.596,108 0.78,109 0.849,110 0.86,111 0.86,112 3.874,113 0.894,114 -2.68,115 -2.7,116 -2.63,119 42.7,121 4,122 1,124 1,125 4,127 2,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 8,174 2,175 17,178 2,179 1,180 3,183 5,186 2,187 16,190 1,192 3,195 4,198 2,199 9,204 3,207 8,211 5,212 8,215 3,217 3,220 10,223 3,224 8,229 1,232 12,236 4,237 13,240 2,242 1,245 7,249 1,250 14,255 2,258 4,262 4,263 10,266 1,268 1,271 3,275 5571,276 32.22,277 32.22,278 32.22,279 32.22,280 32.22,281 29.078,282 43.979,283 18.641,284 32.926,285 26.71,286 26.71,287 26.71,288 26.71,289 26.71,290 21.726,291 62.043,292 8.944,293 27.856,294 4.76,295 2.365,296 1.134,297 0.668,298 0.595,299 0.595,300 4.601,306 1948,307 4.123,310 342.288,311 727.012,312 173.993,314 404.348,318 3.096,319 53.721,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 102.5,331 856,332 4.736,333 3.829,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.214,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.154,351 3.56,352 6.423,353 4.005,354 3.042,355 3.483,356 0.86,357 9.843,358 2.94,359 3.996,360 3.374,361 6.063,362 3.687,363 2.742,364 3.329,365 0.86,366 8.689,367 2.583,368 3.895,369 3.152,370 5.715,371 3.635,372 2.672,373 3.309,374 0.8,375 7.982,376 2.562,377 3.856,378 2.89,379 5.672,380 3.525,381 2.58,382 3.235,383 0.555,384 7.752,385 2.432,386 3.713,387 2.776,388 5.529,389 3.423,390 2.454,391 2.928,392 0.247,393 7.329,394 2.369,395 3.602,396 2.556,397 5.372,398 3.165,399 2.197,400 2.744,402 6.746,403 2.117,404 3.387,405 2.473,406 5.241,407 2.985,408 2.029,409 2.663,411 6.175,412 1.938,413 3.229,414 2.256,415 5.087,416 2.936,417 1.952,418 2.448,420 5.879,421 1.904,422 3.174,423 2.203,424 4.879,425 2.839,426 1.879,427 2.266,428 5.638,429 1.794,430 3.03,431 2.093,432 4.871,433 2.799,434 1.822,435 2.165,436 5.158,437 1.764,438 2.879,439 2.037,440 4.74,441 2.634,442 1.698,443 1.98,445 5.008,446 1.584,447 2.853,448 1.87,449 4.608,450 2.562,451 1.61,452 1.891,454 4.708,455 1.521,456 2.847,457 1.775,458 4.184,459 2.348,460 1.385,461 1.879,463 3.33,464 1.33,465 21.967,466 0.467,467 1.212,468 0.026,469 61,470 1.298,471 28,472 0.596,473 33,474 0.702,475 47.092,476 1.002,477 50.033,478 0.61,479 54.192,480 1.153,481 11.591,482 0.247,483 11.299,484 0.24,485 0.068,487 0.396,493 0.766,494 1.428,495 0.723,496 1.123,497 0.534,498 0.944,499 0.884,500 1.081,501 0.86,502 0.978,503 0.553,504 0.914,505 1.087,506 1.08,507 1.024,508 1.022,509 0.864,510 1.012,511 1.075,512 0.984,513 1.008,514 0.988,515 1.197,516 0.982,517 0.981,518 0.966,519 1.007,520 1.019,521 1.301,522 1.023,523 0.937,524 1.018,525 0.989,526 1.036,527 1.025,528 1.027,529 0.834,530 0.978,531 0.933,532 0.987,533 0.616,534 0.981,535 1.061,536 0.965,537 0.937,538 0.926,539 0.939,540 0.918,541 9.5,542 0.277,543 4.889,544 4.528,545 2.066,546 1.952,547 1.242,548 0.915,549 0.617,550 0.556,551 48679,552 122639,553 2.202,554 42.7,556 20,557 1,558 3,559 2,560 1,561 8,564 1.836,565 2.089,566 4.09,567 0.116,573 131.008,574 1.598,575 3.992,576 5.223,577 5.69,578 5.763,579 5.763,580 3.578,581 5.172,582 5.519,583 4.319,584 4668.91,585 9.791,586 93304.4,591 521.319,592 1.317,593 5.499,594 0.176,595 0.005,596 0.062,597 0.057,598 0.028,599 0.026,600 0.017,601 0.013,602 0.009,603 0.009,604 0.401,605 0.33,606 0.63,607 0.421,608 281.108,609 -0.045,610 -0.237,611 0.072,612 -0.081,613 -0.011,615 0.016,616 0.052,617 0.027,618 0.013,619 0.056,620 0.024,621 -0.07,622 -0.055,623 -0.064,624 -0.032,625 -0.006,626 -0.044,627 -0.103,628 0.004,629 -0.019,630 -0.002,631 -0.06,632 0.006,633 0.069,634 0.03,635 -0.031,636 -0.022,637 -0.017,638 -0.044,639 -0.019,640 -0.043,641 -0.011,642 -0.031,643 -0.044,644 -0.022,645 0.122,646 -0.014,647 0.062,648 0.01,649 0.189,650 0.023,651 -0.07,652 -0.031,653 0.077,654 0.074,655 -0.025,656 0.096,657 2.114,658 6.528,659 0.809,660 79.337,661 1.009,662 1.126,663 1.454,664 2.115,665 0.67,666 4.007,667 4.382,668 4.71,669 5.037,670 5.278,671 5.407,672 5.617,673 5.79,674 5.932,675 6.111,676 10.385,677 0.648,678 633.77,679 4.007,680 5.587,681 6.469,682 7.375,683 8.27,684 9.179,685 10.081,686 10.993,687 11.9,688 12.814,689 8.5,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 82,733 26,734 1,735 54,737 89,738 35,739 18,740 3,741 3,742 3,746 8,747 11,751 1,755 6,756 1,758 6,761 23,762 12,763 1,766 4,771 3,773 1,775 4,781 35,782 11,783 2,784 12,790 7,794 0.625,795 5,801 1,805 2,807 1,811 3,812 5,813 1,815 2,827 1,831 2,839 1,840 5,844 1,848 47,854 8,855 2,856 2,858 3,859 2,870 6.1,873 3,874 1,875 1,877 22.5,878 15,879 9.944,880 5.122,881 4.959,882 1.48,883 1.029,884 7.958,885 15.291,886 4.248,887 4.846,888 5.436,889 6.034,890 6.562,891 6.886,892 7.357,893 7.793,894 8.127,895 8.578,896 1,897 80,898 17.549,900 7.874,901 7.734,902 33.654,904 29.207,905 2.234,906 105,910 388.446,911 173.011,912 77.74,914 97.435,917 173.011,918 485.881,919 77.74,920 8.396,921 57.707,922 75.381,923 172.116,924 65.623,925 16.047,926 341.362,928 388.446,929 250.751,930 97.435,933 294.278,934 180.603,935 11,937 88.463,938 113.997,939 48.291,941 388.446,942 175.175,943 173.011,946 388.446,947 62.091,948 119.068,949 36.022,950 131.006,951 388.446,952 175.175,953 173.011,955 0.593,956 0.353,957 0.198,958 0.107,959 42,960 18,961 0.056,962 5,963 4,964 1.184,965 5.63,966 527.558,967 0.211,968 37,969 251.066,974 30.122,975 12.417,976 5.904,977 1.726,978 173.276,979 17.374,980 8.635,984 3.65,985 1.948,986 36.022,987 736.632,988 69,993 39.432,995 1.765,997 -0.256,999 82.72,1000 92.348,1001 0.251,1002 0.628,1003 0.822,1004 0.895,1005 0.906,1006 0.906,1007 5.531,1008 2.197,1009 6.469,1010 7.329,1011 5.069,1012 5.535,1013 2.798,1014 7.319,1015 4.99,1016 6.734,1017 2.029,1018 8.048,1019 6.746,1020 4.691,1021 5.366,1022 2.078,1023 8.25,1024 4.584,1025 8.048,1026 1.952,1027 9.724,1028 6.175,1029 6.703,1030 7.705,1031 3.474,1032 11.393,1033 6.551,1034 9.394,1035 1.879,1036 11.457,1037 5.879,1038 7.148,1039 8.393,1040 3.478,1041 13.178,1042 6.973,1043 10.775,1044 1.822,1045 13.228,1046 5.638,1047 8.626,1048 10.228,1049 4.486,1050 15.84,1051 8.412,1052 12.181,1053 1.698,1054 15.026,1055 5.158,1056 9.454,1057 11.341,1058 4.812,1059 18.001,1060 9.218,1061 13.608,1062 1.61,1063 16.845,1064 5.008,1065 10.726,1066 12.981,1067 5.64,1068 20.507,1069 10.457,1070 3.315,1071 1.385,1072 18.68,1073 4.708,1074 11.733,1075 14.31,1076 6.121,1077 22.831,1078 11.442,1079 3.172,1080 11.949,1081 20.53,1082 3.33,1083 12.927,1084 15.874,1085 6.861,1086 25.29,1087 12.606,1088 3.042,1089 10.802,1090 22.39,1091 4.706,1092 14.019,1093 17.31,1094 7.421,1095 27.686,1096 13.673,1097 2.742,1098 9.843,1099 24.261,1100 4.126,1101 15.187,1102 18.849,1103 8.117,1104 30.136,1105 14.814,1106 2.672,1107 8.689,1108 26.14,1109 3.483,1110 16.318,1111 20.337,1112 8.721,1113 32.565,1114 15.92,1115 2.58,1116 7.982,1117 28.026,1118 3.329,1119 17.481,1120 21.87,1121 9.396,1122 35.016,1123 17.056,1124 2.454,1125 7.752,1126 29.918,1127 3.309,1128 18.631,1129 23.383,1130 10.024,1131 37.461,1132 18.18,1133 43420,1134 69223,1135 37.104,1136 54.972,1137 83.718,1138 86.247,1139 84.484,1140 82.685,1141 82.632,1142 103.653,1143 13.838,1144 246.687,1145 79.415,1146 5.736,1147 5.829,1148 6.8,1149 5.39,1150 5.315,1151 7.706,1152 3.348,1153 19.353,1154 5.214,1155 19.261,1156 1.55,1157 1.597,1158 1.565,1159 1.531,1160 1.53,1161 1.92,1162 0.256,1163 4.568,1164 1.471,1165 4.162,1166 4.198,1167 4.132,1168 4.05,1169 7.433,1170 4.066,1171 3.985,1172 4.012,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.959,1178 3.994,1179 3.871,1180 3.794,1181 7.425,1182 3.805,1183 3.865,1184 3.907,1185 3.808,1186 3.738,1187 5.03,1188 3.749,1189 3.807,1190 3.861,1191 3.693,1192 3.662,1193 4.908,1194 3.661,1195 3.551,1196 3.58,1197 3.506,1198 3.406,1199 4.846,1200 3.42,1201 3.459,1202 3.516,1203 3.38,1204 3.258,1205 4.667,1206 3.28,1207 3.34,1208 3.394,1209 3.273,1210 3.098,1211 4.441,1212 3.133,1213 0.088,1214 0.071,1215 0.13,1216 0.079,1217 0.061,1218 4.736,1219 0.087,1220 3.829,1221 0.036,1222 6.998,1223 0.221,1224 4.283,1225 0.06,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.214,1231 1.94,1232 1.906,1233 2.068,1234 2.087,1235 1.423,1236 2.082,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.255,1242 1.993,1243 1.816,1244 1.777,1245 1.928,1246 1.971,1247 1.187,1248 1.955,1249 1.795,1250 1.756,1251 1.914,1252 1.943,1253 1.096,1254 1.941,1255 1.652,1256 1.611,1257 1.86,1258 1.868,1259 1.074,1260 1.861,1261 1.634,1262 1.578,1263 1.836,1264 1.813,1265 0.944,1266 1.812,1267 1.604,1268 1.543,1269 1.793,1270 1.76,1271 0.886,1272 1.798,1273 1.375,1274 1.334,1275 1.56,1276 1.585,1277 0.825,1278 1.569,1279 4.691,1281 6.052,1282 3.434,1283 7.597,1284 5.9,1285 9.226,1286 8.05,1287 10.9,1289 1.933,1295 6.601,1296 5.475,1297 11.96,1299 0.405,1300 4.352,1305 53.099,1306 131.008,1307 327.384,1308 428.3,1309 466.564,1310 472.564,1311 472.564,1312 90.689,1313 10.332,1314 134.83,1315 134.83,1316 45,1317 13.328,1318 4.755,1319 4,1320 61.496,1321 287,1322 329,1323 0.1,1324 313.913,1325 555.57,1326 757.708,1327 663290,1329 32.07,1330 0.682,1331 0.554,1332 32.07,1333 26.017,1334 22.89,1335 0.424,1336 0.298,1337 15.833,1338 21.889,1339 15.568,1340 12.728,1341 22.89,1342 16.09,1343 21.394,1344 0.271,1345 0.16,1346 21.394,1347 12.658,1348 18.827,1349 0.171,1350 0.087,1351 18.827,1352 9.536,1353 16.56,1354 0.108,1355 0.047,1356 16.56,1357 7.251,1358 13.562,1359 0.07,1360 0.026,1361 13.562,1362 5.113,1363 0.161,1364 144.286,1365 0.164,1366 41.407,1367 0.262,1368 266,1369 769.569,1370 295.296,1371 732.054,1372 1011.29,1373 688,1374 322,1375 758.172,1376 353.352,1377 759.243,1378 1124.98,1379 717,1380 5.775}
{0 CHEMBL1091697,1 1.598,2 18.17,3 2.341,4 5.482,5 175.482,6 7.729,7 0.407,8 4.536,9 4.648,10 4.145,11 4.058,12 5.617,13 4.06,14 5.119,15 5.281,16 4.552,17 4.502,18 6.171,19 4.485,20 5.409,21 5.608,22 4.627,23 4.666,24 6.443,25 4.617,26 5.473,27 5.69,28 4.571,29 4.656,30 6.517,31 4.591,32 5.423,33 5.622,34 4.562,35 4.636,36 6.556,37 4.573,38 5.459,39 5.679,40 4.533,41 4.676,42 6.416,43 4.588,44 5.49,45 5.731,46 4.513,47 4.618,48 6.532,49 4.529,50 5.38,51 5.627,52 4.41,53 4.508,54 6.358,55 4.437,56 0.084,57 1.27,58 15.865,59 7.189,60 11.638,61 9.107,62 0.542,63 2.135,64 32.58,65 12.361,66 42.992,67 16.168,68 0.784,69 2.651,70 47.383,71 16.861,72 75.393,73 22.617,74 0.817,75 2.678,76 53.083,77 18.634,78 94.951,79 24.89,80 1.132,81 2.553,82 49.792,83 17.657,84 133.693,85 23.142,86 0.731,87 2.685,88 51.4,89 19.117,90 74.58,91 26.229,92 1.085,93 2.654,94 56.278,95 19.278,96 124.167,97 27.094,98 0.903,99 2.355,100 51.683,101 16.825,102 88.677,103 23.245,104 17,105 79,106 0.238,107 0.603,108 0.794,109 0.849,110 0.86,111 0.86,112 3.874,113 0.893,114 -2.68,115 -2.7,116 -2.63,119 42.7,121 4,122 1,124 1,125 4,127 2,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 8,174 2,175 17,178 2,179 1,180 3,183 5,186 2,187 16,190 1,192 3,195 4,198 2,199 11,204 3,207 10,211 5,212 6,215 3,217 3,220 12,223 3,224 8,229 1,232 8,236 4,237 15,240 2,242 1,245 7,249 1,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 7,275 5509,276 32.325,277 32.325,278 32.325,279 32.325,280 32.325,281 29.183,282 44.984,283 18.709,284 33.031,285 26.687,286 26.687,287 26.687,288 26.687,289 26.687,290 21.711,291 64.149,292 8.906,293 27.814,294 4.76,295 2.316,296 1.037,297 0.668,298 0.595,299 0.595,300 4.602,306 1942,307 4.123,310 332.459,311 719.295,312 162.579,314 400.836,318 3.047,319 53.763,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 102.5,331 854,332 4.736,333 3.885,334 6.998,335 4.284,336 3.316,337 4.706,338 1.94,339 11.949,340 3.214,341 4.514,342 3.731,343 6.857,344 4.173,345 3.215,346 4.126,347 1.656,348 11.349,349 3.106,350 4.293,351 3.56,352 6.695,353 4.149,354 3.171,355 3.483,356 0.86,357 10.802,358 3.074,359 3.996,360 3.375,361 6.076,362 3.683,363 2.73,364 3.414,365 0.86,366 8.73,367 2.615,368 3.904,369 3.056,370 5.836,371 3.633,372 2.671,373 3.327,374 0.8,375 7.935,376 2.563,377 3.858,378 2.879,379 5.672,380 3.46,381 2.485,382 3.25,383 0.555,384 7.751,385 2.407,386 3.635,387 2.776,388 5.529,389 3.419,390 2.452,391 2.928,392 0.247,393 7.329,394 2.359,395 3.601,396 2.556,397 5.368,398 3.165,399 2.196,400 2.696,402 6.742,403 2.117,404 3.386,405 2.473,406 5.239,407 2.957,408 1.971,409 2.661,411 6.112,412 1.931,413 3.229,414 2.224,415 5.086,416 2.851,417 1.879,418 2.448,420 5.839,421 1.822,422 3.102,423 2.158,424 4.897,425 2.804,426 1.836,427 2.214,428 5.245,429 1.768,430 3.028,431 2.032,432 4.751,433 2.783,434 1.816,435 2.152,436 5.061,437 1.745,438 2.879,439 2.016,440 4.608,441 2.562,442 1.611,443 1.98,445 4.723,446 1.521,447 2.847,448 1.877,449 4.514,450 2.429,451 1.494,452 1.879,454 4.162,455 1.395,456 2.705,457 1.779,458 4.15,459 2.348,460 1.385,461 1.77,463 3.235,464 1.33,465 21.967,466 0.467,467 1.178,468 0.025,469 61,470 1.298,471 28,472 0.596,473 33,474 0.702,475 47.347,476 1.007,477 50.033,478 0.61,479 54.266,480 1.155,481 11.615,482 0.247,483 11.308,484 0.241,485 0.068,487 0.396,493 0.766,494 1.428,495 0.723,496 1.123,497 0.53,498 0.944,499 0.896,500 1.098,501 0.868,502 0.962,503 0.562,504 0.91,505 0.985,506 1.057,507 0.988,508 1.019,509 0.829,510 0.997,511 1.127,512 1.007,513 1.008,514 1.018,515 1.189,516 0.997,517 1.115,518 0.932,519 1.074,520 0.985,521 1.524,522 1.025,523 0.803,524 1.074,525 0.991,526 1.113,527 0.794,528 1.093,529 0.786,530 0.983,531 0.895,532 0.979,533 0.586,534 0.964,535 1.121,536 0.814,537 0.876,538 0.759,539 0.958,540 0.77,541 8.5,542 0.316,543 5.333,544 4.556,545 2.351,546 1.89,547 1.119,548 0.942,549 0.626,550 0.54,551 48139,552 121775,553 2.202,554 42.7,556 20,557 1,558 3,559 2,560 1,561 8,564 1.836,565 2.089,566 4.07,567 0.116,573 131.008,574 1.598,575 4.041,576 5.321,577 5.69,578 5.763,579 5.763,580 3.546,581 5.087,582 5.52,583 4.303,584 4651.43,585 9.792,586 92552.3,591 521.319,592 1.317,593 5.499,594 0.157,595 0.005,596 0.068,597 0.056,598 0.031,599 0.025,600 0.015,601 0.013,602 0.009,603 0.008,604 0.388,605 0.33,606 0.63,607 0.421,608 280.747,609 -0.045,610 -0.237,611 0.072,612 -0.081,613 -0.007,615 0.004,616 0.035,617 0.02,618 0.029,619 0.047,620 0.027,621 -0.041,622 -0.013,623 -0.038,624 -0.032,625 0.007,626 -0.029,627 -0.103,628 -0.031,629 -0.017,630 -0.025,631 -0.051,632 -0.008,633 0.008,634 0.059,635 -0.091,636 0.009,637 -0.08,638 -0.053,639 0.017,640 -0.092,641 -0.03,642 -0.099,643 0.002,644 -0.078,645 0.146,646 -0.044,647 0.118,648 0.016,649 0.197,650 0.054,651 -0.087,652 0.117,653 0.16,654 0.224,655 -0.024,656 0.238,657 2.113,658 6.551,659 0.809,660 77.709,661 1.009,662 1.126,663 1.454,664 2.115,665 0.67,666 4.007,667 4.382,668 4.727,669 5.063,670 5.298,671 5.416,672 5.609,673 5.802,674 5.964,675 6.138,676 10.292,677 0.648,678 633.77,679 4.007,680 5.587,681 6.475,682 7.385,683 8.286,684 9.2,685 10.108,686 11.024,687 11.936,688 12.855,689 8.5,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 82,733 26,734 1,735 54,737 89,738 35,739 18,740 3,741 3,742 3,746 8,747 11,751 1,755 6,756 1,758 6,761 23,762 12,763 1,766 4,771 3,773 1,775 4,781 35,782 11,783 2,784 12,790 7,794 0.625,795 5,805 2,807 1,808 1,811 3,812 5,813 1,815 2,827 1,831 2,839 1,840 5,844 1,848 47,854 8,855 2,856 2,858 3,859 2,870 6.1,873 3,874 1,875 1,877 22.5,878 15,879 10,880 5.111,881 4.959,882 1.478,883 1.022,884 7.958,885 15.343,886 4.248,887 4.846,888 5.445,889 6.048,890 6.567,891 6.888,892 7.354,893 7.794,894 8.132,895 8.583,896 1,897 82,898 17.549,900 7.874,901 7.734,902 33.654,904 29.224,905 2.234,906 105,910 388.446,911 177.985,912 77.74,914 97.435,917 177.985,918 485.881,919 77.74,920 8.396,921 62.68,922 75.381,923 172.116,924 65.623,925 16.047,926 341.362,928 388.446,929 255.725,930 97.435,933 294.278,934 180.603,935 11,937 93.437,938 113.997,939 48.291,941 388.446,942 175.175,943 177.985,946 388.446,947 67.065,948 119.068,949 36.022,950 131.006,951 388.446,952 175.175,953 177.985,955 0.592,956 0.358,957 0.205,958 0.109,959 42,960 18,961 0.056,962 5,963 4,964 1.184,965 5.598,966 530.532,967 0.211,968 37,969 251.066,974 30.122,975 12.417,976 5.687,977 1.729,978 173.276,979 17.382,980 8.639,984 3.654,985 1.95,986 36.022,987 741.606,988 69,993 39.583,995 1.766,997 -0.231,999 82.72,1000 92.348,1001 0.251,1002 0.636,1003 0.837,1004 0.895,1005 0.906,1006 0.906,1007 5.531,1008 2.196,1009 6.475,1010 7.329,1011 5.069,1012 5.535,1013 2.798,1014 7.34,1015 4.993,1016 6.734,1017 1.971,1018 8.064,1019 6.742,1020 4.691,1021 5.366,1022 2.078,1023 8.32,1024 4.596,1025 8.051,1026 1.879,1027 9.752,1028 6.112,1029 6.713,1030 7.708,1031 3.474,1032 11.476,1033 6.567,1034 9.401,1035 1.836,1036 11.5,1037 5.839,1038 7.179,1039 8.402,1040 3.478,1041 13.322,1042 7.013,1043 10.787,1044 1.816,1045 13.288,1046 5.245,1047 8.662,1048 10.236,1049 4.486,1050 15.997,1051 8.453,1052 12.199,1053 1.611,1054 15.104,1055 5.061,1056 9.516,1057 11.352,1058 4.812,1059 18.201,1060 9.283,1061 13.631,1062 1.494,1063 16.941,1064 4.723,1065 10.795,1066 12.99,1067 5.64,1068 20.72,1069 10.524,1070 3.316,1071 1.385,1072 18.795,1073 4.162,1074 11.826,1075 14.319,1076 6.121,1077 23.07,1078 11.528,1079 3.215,1080 11.949,1081 20.662,1082 3.235,1083 13.029,1084 15.882,1085 6.861,1086 25.539,1087 12.696,1088 3.171,1089 11.349,1090 22.539,1091 4.706,1092 14.138,1093 17.316,1094 7.421,1095 27.949,1096 13.776,1097 2.73,1098 10.802,1099 24.426,1100 4.126,1101 15.317,1102 18.854,1103 8.117,1104 30.404,1105 14.922,1106 2.671,1107 8.73,1108 26.32,1109 3.483,1110 16.461,1111 20.341,1112 8.721,1113 32.838,1114 16.036,1115 2.485,1116 7.935,1117 28.22,1118 3.414,1119 17.633,1120 21.873,1121 9.396,1122 35.29,1123 17.177,1124 2.452,1125 7.751,1126 30.125,1127 3.327,1128 18.794,1129 23.386,1130 10.024,1131 37.737,1132 18.307,1133 43008,1134 68699,1135 37.104,1136 54.972,1137 83.707,1138 86.206,1139 85.125,1140 82.675,1141 82.626,1142 103.64,1143 13.838,1144 247.688,1145 79.477,1146 5.736,1147 5.885,1148 6.8,1149 5.387,1150 5.316,1151 7.706,1152 3.348,1153 19.361,1154 5.214,1155 19.239,1156 1.55,1157 1.596,1158 1.576,1159 1.531,1160 1.53,1161 1.919,1162 0.256,1163 4.587,1164 1.472,1165 4.163,1166 4.199,1167 4.133,1168 4.05,1169 7.433,1170 4.066,1171 3.987,1172 4.027,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.975,1178 4,1179 3.894,1180 3.819,1181 7.425,1182 3.829,1183 3.865,1184 3.907,1185 3.809,1186 3.74,1187 5.03,1188 3.75,1189 3.794,1190 3.853,1191 3.677,1192 3.651,1193 4.908,1194 3.648,1195 3.55,1196 3.578,1197 3.504,1198 3.404,1199 4.846,1200 3.418,1201 3.444,1202 3.503,1203 3.36,1204 3.253,1205 4.64,1206 3.272,1207 3.329,1208 3.372,1209 3.263,1210 3.08,1211 4.441,1212 3.125,1213 0.088,1214 0.072,1215 0.13,1216 0.079,1217 0.061,1218 4.736,1219 0.087,1220 3.885,1221 0.036,1222 6.998,1223 0.221,1224 4.284,1225 0.06,1226 3.316,1227 4.706,1228 1.94,1229 11.949,1230 3.214,1231 1.94,1232 1.906,1233 2.067,1234 2.086,1235 1.423,1236 2.08,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.255,1242 1.993,1243 1.816,1244 1.777,1245 1.928,1246 1.966,1247 1.187,1248 1.95,1249 1.793,1250 1.754,1251 1.911,1252 1.943,1253 1.096,1254 1.941,1255 1.652,1256 1.611,1257 1.86,1258 1.867,1259 1.074,1260 1.858,1261 1.631,1262 1.578,1263 1.831,1264 1.815,1265 0.944,1266 1.813,1267 1.604,1268 1.543,1269 1.793,1270 1.76,1271 0.886,1272 1.798,1273 1.376,1274 1.334,1275 1.56,1276 1.586,1277 0.825,1278 1.569,1279 4.691,1281 6.052,1282 3.434,1283 7.603,1284 5.938,1285 9.241,1286 8.111,1287 10.926,1289 1.934,1295 6.47,1296 5.476,1297 11.722,1299 0.474,1300 4.451,1305 53.099,1306 131.008,1307 331.384,1308 436.3,1309 466.564,1310 472.564,1311 472.564,1312 91.058,1313 10.384,1314 134.83,1315 134.83,1316 45,1317 13.366,1318 4.755,1319 4,1320 61.494,1321 285,1322 329,1323 0.101,1324 313.913,1325 555.57,1326 757.708,1327 704746,1329 32.07,1330 0.682,1331 0.554,1332 32.07,1333 26.017,1334 22.924,1335 0.425,1336 0.298,1337 15.819,1338 21.916,1339 15.552,1340 12.723,1341 22.924,1342 16.08,1343 21.223,1344 0.269,1345 0.16,1346 21.223,1347 12.625,1348 18.916,1349 0.169,1350 0.086,1351 18.916,1352 9.676,1353 16.873,1354 0.107,1355 0.047,1356 16.873,1357 7.397,1358 13.772,1359 0.069,1360 0.026,1361 13.772,1362 5.21,1363 0.163,1364 144.597,1365 0.164,1366 41.329,1367 0.265,1368 266,1369 769.569,1370 294.633,1371 731.86,1372 1010.61,1373 688,1374 324,1375 755.058,1376 355.021,1377 757.823,1378 1124.42,1379 715,1380 5.459}
{0 CHEMBL1091698,1 1.588,2 18.565,3 2.093,4 4.379,5 175.577,6 7.57,7 0.423,8 4.522,9 4.645,10 4.112,11 4.029,12 5.609,13 4.027,14 5.091,15 5.273,16 4.499,17 4.455,18 6.14,19 4.436,20 5.359,21 5.559,22 4.576,23 4.631,24 6.408,25 4.577,26 5.466,27 5.693,28 4.532,29 4.644,30 6.495,31 4.567,32 5.431,33 5.651,34 4.523,35 4.616,36 6.512,37 4.542,38 5.428,39 5.657,40 4.504,41 4.628,42 6.408,43 4.543,44 5.431,45 5.669,46 4.499,47 4.584,48 6.516,49 4.506,50 5.354,51 5.59,52 4.413,53 4.531,54 6.345,55 4.455,56 0.062,57 1.292,58 16.402,59 6.912,60 10.386,61 9.211,62 0.521,63 2.115,64 33.005,65 11.383,66 37.075,67 15.853,68 0.643,69 2.56,70 45.23,71 16.004,72 65.573,73 21.997,74 0.718,75 2.656,76 53.385,77 18.43,78 94.591,79 25.467,80 1.017,81 2.555,82 51.705,83 17.584,84 112.218,85 24.201,86 0.676,87 2.586,88 50.875,89 18.075,90 71.566,91 25.434,92 1.025,93 2.531,94 52.729,95 17.41,96 124.383,97 24.8,98 0.681,99 2.354,100 48.552,101 16.499,102 76.445,103 22.957,104 26,105 75,106 0.238,107 0.584,108 0.763,109 0.85,110 0.861,111 0.861,112 3.853,113 0.898,114 -2.5,115 -2.53,116 -2.47,119 41.5,121 2,122 1,124 2,125 6,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 7,174 2,175 15,178 2,179 1,180 3,183 5,186 2,187 14,190 1,192 3,195 4,198 2,199 9,204 3,207 8,211 5,212 6,215 3,217 3,220 8,223 3,224 8,229 1,232 8,236 4,237 13,240 2,242 1,245 7,249 1,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 3,275 5302,276 31.325,277 31.325,278 31.325,279 31.325,280 31.325,281 28.183,282 43.474,283 18.208,284 32.043,285 25.676,286 25.676,287 25.676,288 25.676,289 25.676,290 20.692,291 61.47,292 8.693,293 26.787,294 4.769,295 2.456,296 1.254,297 0.677,298 0.604,299 0.604,300 4.572,306 1902,307 4.062,310 212.567,311 734.738,314 399.619,318 3.074,319 49.099,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 100,331 854,332 4.736,333 3.821,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.121,351 3.56,352 6.394,353 3.958,354 2.98,355 3.483,356 0.86,357 9.681,358 2.916,359 3.996,360 3.373,361 6.061,362 3.638,363 2.678,364 3.328,365 0.8,366 8.67,367 2.566,368 3.887,369 2.897,370 5.673,371 3.59,372 2.656,373 3.296,374 0.8,375 7.752,376 2.477,377 3.853,378 2.776,379 5.53,380 3.424,381 2.455,382 3.226,383 0.555,384 7.329,385 2.375,386 3.602,387 2.775,388 5.384,389 3.34,390 2.4,391 2.927,392 0.247,393 6.761,394 2.249,395 3.442,396 2.556,397 5.296,398 3.165,399 2.197,400 2.663,402 6.639,403 2.117,404 3.385,405 2.473,406 5.234,407 2.975,408 2.025,409 2.457,411 6.107,412 1.934,413 3.229,414 2.266,415 4.945,416 2.932,417 1.953,418 2.448,420 5.668,421 1.884,422 3.158,423 2.207,424 4.862,425 2.799,426 1.822,427 2.242,428 5.156,429 1.764,430 3.03,431 2.06,432 4.739,433 2.644,434 1.71,435 2.164,436 5.008,437 1.592,438 2.866,439 1.872,440 4.608,441 2.562,442 1.61,443 1.98,445 4.708,446 1.521,447 2.847,448 1.776,449 4.185,450 2.348,451 1.385,452 1.902,454 3.335,455 1.33,456 2.672,457 1.519,458 3.727,459 2.189,460 1.217,461 1.743,463 2.992,464 1.18,465 21.533,466 0.468,467 1.181,468 0.026,469 60.25,470 1.31,471 28,472 0.609,473 32.25,474 0.701,475 44.902,476 0.976,477 49.267,478 0.601,479 54.392,480 1.182,481 11.794,482 0.256,483 10.54,484 0.229,485 0.093,487 0.376,493 0.77,494 1.524,495 0.749,496 1.162,497 0.528,498 0.979,499 0.87,500 1.021,501 0.857,502 0.879,503 0.53,504 0.847,505 0.995,506 1.079,507 1.004,508 1.061,509 0.853,510 1.031,511 1.109,512 1.018,513 0.994,514 1.033,515 1.198,516 1.005,517 1.08,518 0.904,519 1.015,520 0.958,521 1.321,522 0.982,523 0.866,524 1.052,525 0.95,526 1.071,527 0.858,528 1.034,529 0.894,530 0.94,531 0.912,532 0.929,533 0.768,534 0.924,535 1.112,536 0.922,537 0.936,538 0.912,539 0.969,540 0.901,541 9,542 0.302,543 5.333,544 4.368,545 2.222,546 1.841,547 1.212,548 0.99,549 0.62,550 0.567,551 44024,552 110714,553 2.155,554 43.9,556 25,557 1,558 3,559 2,560 1,561 4,564 1.831,565 2.029,566 4.112,567 0.127,573 130.228,574 1.588,575 3.902,576 5.104,577 5.681,578 5.754,579 5.754,580 3.586,581 5.132,582 5.487,583 4.309,584 4459.37,585 9.729,586 87773,591 521.319,592 1.368,593 5.462,594 0.173,595 0.005,596 0.071,597 0.056,598 0.03,599 0.026,600 0.017,601 0.014,602 0.009,603 0.009,604 0.411,605 0.33,606 0.63,607 0.468,608 273.553,609 -0.042,610 -0.304,611 0.071,612 -0.108,613 -0.011,614 -0.018,615 0.017,616 0.138,617 0.052,618 0.1,619 0.066,620 0.092,621 -0.042,622 -0.022,623 -0.06,624 -0.06,625 0.008,626 -0.058,627 -0.085,628 -0.049,629 -0.006,630 -0.03,631 -0.052,632 -0.009,633 0.033,634 0.075,635 -0.021,636 0.036,637 -0.047,639 0.027,640 -0.075,641 0.021,642 -0.058,643 0.009,644 -0.025,645 0.133,646 0.021,647 0.092,648 0.06,649 0.174,650 0.07,651 -0.095,652 0.032,653 0.062,654 0.089,655 -0.033,656 0.101,657 2.112,658 6.507,659 0.783,660 77.97,661 1.006,662 1.13,663 1.273,664 1.621,665 0.665,666 3.97,667 4.331,668 4.644,669 4.949,670 5.198,671 5.308,672 5.525,673 5.714,674 5.855,675 6.038,676 10.268,677 0.639,678 620.78,679 3.97,680 5.541,681 6.415,682 7.313,683 8.202,684 9.105,685 10.003,686 10.91,687 11.814,688 12.724,689 9.8,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 82,733 26,734 1,735 52,737 88,738 34,739 18,740 3,741 3,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 23,762 11,763 1,766 4,771 3,773 1,775 4,781 36,782 11,783 2,784 12,790 8,794 0.714,795 4,805 2,807 1,811 2,812 5,815 2,827 1,831 2,836 1,840 5,844 2,848 46,854 8,855 2,856 1,858 1,859 3,870 4.9,873 3,875 1,877 22.667,878 15.367,879 9.861,880 4.994,881 4.958,882 1.499,883 1.015,884 8.513,885 14.901,886 4.22,887 4.814,888 5.405,889 6.002,890 6.537,891 6.864,892 7.339,893 7.781,894 8.118,895 8.571,896 0.923,897 78,898 17.137,900 7.533,901 7.736,902 32.802,904 27.774,905 2.236,906 102.833,910 400.217,911 180.55,912 80.865,914 86.435,917 180.55,918 486.652,919 80.865,920 16.793,921 56.849,922 75.381,923 161.116,924 68.748,925 16.047,926 353.133,928 400.217,929 261.415,930 86.435,933 353.133,934 133.519,937 90.73,938 122.394,939 48.291,941 400.217,942 167.299,943 180.55,946 400.217,947 61.234,948 130.588,949 36.022,950 120.006,951 400.217,952 167.299,953 180.55,955 0.59,956 0.35,957 0.192,958 0.105,959 38,960 17,961 0.057,962 5,963 2,964 1.111,965 5.496,966 502.171,967 0.111,968 36,969 246.084,974 30.422,975 12.873,976 6.284,977 1.734,978 165.4,979 17.378,980 8.627,984 3.664,985 1.949,986 36.022,987 748.067,988 67,993 39.224,995 1.766,997 -0.233,999 82.494,1000 92.637,1001 0.25,1002 0.614,1003 0.803,1004 0.894,1005 0.905,1006 0.905,1007 5.491,1008 2.197,1009 6.412,1010 6.761,1011 5.017,1012 5.503,1013 2.766,1014 7.253,1015 4.94,1016 6.695,1017 2.025,1018 7.989,1019 6.639,1020 4.635,1021 5.338,1022 2.125,1023 8.192,1024 4.529,1025 8.008,1026 1.953,1027 9.664,1028 6.107,1029 6.642,1030 7.683,1031 3.455,1032 11.329,1033 6.495,1034 9.355,1035 1.822,1036 11.398,1037 5.668,1038 7.083,1039 8.375,1040 3.488,1041 13.129,1042 6.917,1043 10.737,1044 1.71,1045 13.171,1046 5.156,1047 8.562,1048 10.215,1049 4.48,1050 15.791,1051 8.358,1052 12.145,1053 1.61,1054 14.971,1055 5.008,1056 9.386,1057 11.331,1058 4.814,1059 17.963,1060 9.166,1061 13.573,1062 1.385,1063 16.794,1064 4.708,1065 10.659,1066 12.974,1067 5.639,1068 20.472,1069 10.407,1070 3.315,1071 1.217,1072 18.633,1073 3.335,1074 11.665,1075 14.305,1076 6.121,1077 22.803,1078 11.395,1079 3.172,1080 11.949,1081 20.485,1082 2.992,1083 12.861,1084 15.871,1085 6.86,1086 25.265,1087 12.562,1088 2.98,1089 10.802,1090 22.35,1091 4.706,1092 13.953,1093 17.307,1094 7.421,1095 27.666,1096 13.633,1097 2.678,1098 9.681,1099 24.224,1100 4.126,1101 15.123,1102 18.847,1103 8.117,1104 30.118,1105 14.776,1106 2.656,1107 8.67,1108 26.106,1109 3.483,1110 16.255,1111 20.335,1112 8.721,1113 32.55,1114 15.885,1115 2.455,1116 7.752,1117 27.995,1118 3.328,1119 17.42,1120 21.869,1121 9.396,1122 35.003,1123 17.023,1124 2.4,1125 7.329,1126 29.889,1127 3.296,1128 18.573,1129 23.383,1130 10.024,1131 37.45,1132 18.15,1133 40189,1134 64107,1135 35.312,1136 54.523,1137 80.109,1138 82.274,1139 81.475,1140 79.062,1141 78.991,1142 100.007,1143 13.718,1144 233.213,1145 75.958,1146 5.736,1147 5.821,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.353,1154 5.213,1155 21.636,1156 1.541,1157 1.582,1158 1.567,1159 1.52,1160 1.519,1161 1.923,1162 0.264,1163 4.485,1164 1.461,1165 4.161,1166 4.197,1167 4.132,1168 4.049,1169 7.433,1170 4.065,1171 3.984,1172 4.004,1173 3.953,1174 3.886,1175 7.427,1176 3.898,1177 3.912,1178 3.968,1179 3.827,1180 3.755,1181 7.425,1182 3.764,1183 3.862,1184 3.905,1185 3.799,1186 3.728,1187 5.03,1188 3.737,1189 3.757,1190 3.831,1191 3.631,1192 3.57,1193 4.908,1194 3.575,1195 3.55,1196 3.579,1197 3.504,1198 3.403,1199 4.846,1200 3.417,1201 3.449,1202 3.509,1203 3.364,1204 3.253,1205 4.442,1206 3.273,1207 3.332,1208 3.381,1209 3.267,1210 3.081,1211 4.377,1212 3.126,1213 0.091,1214 0.073,1215 0.135,1216 0.082,1217 0.064,1218 4.736,1219 0.091,1220 3.821,1221 0.037,1222 6.998,1223 0.23,1224 4.283,1225 0.062,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.213,1231 1.941,1232 1.906,1233 2.072,1234 2.092,1235 1.425,1236 2.087,1237 1.883,1238 1.863,1239 1.976,1240 2.014,1241 1.273,1242 2.005,1243 1.818,1244 1.777,1245 1.967,1246 2.006,1247 1.098,1248 1.993,1249 1.814,1250 1.768,1251 1.927,1252 1.943,1253 1.075,1254 1.941,1255 1.709,1256 1.642,1257 1.892,1258 1.908,1259 0.944,1260 1.908,1261 1.652,1262 1.609,1263 1.794,1264 1.822,1265 0.886,1266 1.818,1267 1.378,1268 1.336,1269 1.566,1270 1.592,1271 0.825,1272 1.576,1273 1.253,1274 1.21,1275 1.548,1276 1.567,1277 0.825,1278 1.525,1279 4.654,1281 6.004,1282 3.045,1283 7.543,1284 5.533,1285 9.165,1286 7.719,1287 10.833,1289 4.03,1295 6.561,1296 5.473,1297 6.014,1299 0.04,1300 6.608,1305 52.406,1306 130.228,1307 319.939,1308 418.525,1309 465.809,1310 471.809,1311 471.809,1312 90.375,1313 9.943,1314 128.84,1315 128.84,1316 40,1317 13.241,1318 4.755,1319 4,1320 64.526,1321 277,1322 316,1323 0.109,1324 314.512,1325 552.84,1326 759.169,1327 412662,1329 31.786,1330 0.691,1331 0.563,1332 31.786,1333 25.901,1334 22.335,1335 0.43,1336 0.299,1337 15.304,1338 21.337,1339 14.973,1340 12.326,1341 22.335,1342 15.565,1343 20.637,1344 0.275,1345 0.161,1346 20.637,1347 12.085,1348 17.966,1349 0.174,1350 0.087,1351 17.966,1352 8.996,1353 15.383,1354 0.11,1355 0.046,1356 15.383,1357 6.483,1358 12.726,1359 0.071,1360 0.026,1361 12.726,1362 4.663,1363 0.176,1364 140.833,1365 0.168,1366 40.704,1367 0.287,1368 254,1369 733.479,1370 280.837,1371 703.874,1372 969.21,1373 660,1374 305,1375 723.478,1376 334.142,1377 729.546,1378 1074.9,1379 686,1380 5.337}
{0 CHEMBL1091699,1 1.584,2 17.364,3 2.596,4 6.741,5 167.067,6 7.685,7 0.44,8 4.463,9 4.58,10 4.066,11 3.992,12 5.557,13 3.989,14 5.028,15 5.199,16 4.457,17 4.422,18 6.094,19 4.399,20 5.301,21 5.507,22 4.509,23 4.56,24 6.358,25 4.505,26 5.348,27 5.563,28 4.489,29 4.55,30 6.426,31 4.494,32 5.316,33 5.509,34 4.477,35 4.56,36 6.442,37 4.496,38 5.39,39 5.621,40 4.446,41 4.588,42 6.358,43 4.498,44 5.358,45 5.597,46 4.437,47 4.519,48 6.444,49 4.438,50 5.256,51 5.486,52 4.356,53 4.446,54 6.276,55 4.38,56 0.062,57 1.197,58 14.892,59 6.619,60 10.203,61 8.542,62 0.445,63 1.984,64 29.79,65 11.242,66 35.225,67 15.112,68 0.604,69 2.391,70 42.792,71 15.322,72 67.318,73 20.784,74 0.688,75 2.403,76 46.677,77 16.16,78 90.653,79 21.616,80 0.863,81 2.358,82 43.677,83 15.832,84 101.984,85 20.769,86 0.673,87 2.496,88 48.96,89 17.7,90 72.331,91 24.625,92 0.93,93 2.373,94 48.809,95 16.726,96 112.619,97 23.604,98 0.614,99 2.143,100 43.791,101 15.179,102 74.821,103 20.626,104 17,105 72,106 0.239,107 0.593,108 0.765,109 0.832,110 0.86,111 0.86,112 3.81,113 0.899,114 -3.04,115 -3.04,116 -2.93,119 42.9,121 4,122 1,124 1,125 4,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 8,174 2,175 17,178 2,179 1,180 3,183 5,186 1,187 14,190 1,192 3,195 4,198 2,199 11,204 3,207 10,211 4,212 5,215 3,217 3,220 12,223 3,224 6,229 1,232 8,236 4,237 15,240 2,242 1,245 7,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 7,275 4596,276 30.17,277 30.17,278 30.17,279 30.17,280 30.17,281 27.029,282 41.046,283 17.621,284 30.769,285 24.71,286 24.71,287 24.71,288 24.71,289 24.71,290 19.726,291 56.256,292 8.406,293 25.65,294 4.683,295 2.341,296 1.208,297 0.763,298 0.581,299 0.581,300 4.53,306 1713,307 4,310 329.929,311 541.994,314 376.96,318 2.822,319 47.721,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 95.5,331 764,332 4.736,333 3.82,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.12,351 3.56,352 6.394,353 3.957,354 2.977,355 3.483,356 0.86,357 9.677,358 2.917,359 3.996,360 3.373,361 6.061,362 3.637,363 2.677,364 3.328,365 0.8,366 8.669,367 2.566,368 3.886,369 2.894,370 5.673,371 3.585,372 2.651,373 3.296,374 0.555,375 7.752,376 2.474,377 3.853,378 2.776,379 5.53,380 3.424,381 2.454,382 3.226,383 0.247,384 7.329,385 2.374,386 3.602,387 2.556,388 5.38,389 3.192,390 2.23,391 2.927,393 6.752,394 2.143,395 3.389,396 2.478,397 5.26,398 3.164,399 2.194,400 2.663,402 6.45,403 2.116,404 3.296,405 2.473,406 5.22,407 2.954,408 1.966,409 2.448,411 6.063,412 1.93,413 3.228,414 2.219,415 4.879,416 2.8,417 1.824,418 2.35,420 5.181,421 1.765,422 3.037,423 2.116,424 4.742,425 2.728,426 1.774,427 2.175,428 5.029,429 1.688,430 3.004,431 1.877,432 4.608,433 2.562,434 1.611,435 2.067,436 4.712,437 1.521,438 2.847,439 1.778,440 4.199,441 2.349,442 1.385,443 1.98,445 3.436,446 1.331,447 2.682,448 1.519,449 3.842,450 2.342,451 1.354,452 1.756,454 2.992,455 1.329,456 2.578,457 1.335,458 3.727,459 2.178,460 1.203,461 1.554,463 2.958,464 1.17,465 20.633,466 0.469,467 1.075,468 0.024,469 58.5,470 1.33,471 28,472 0.636,473 30.5,474 0.693,475 41.774,476 0.949,477 46.567,478 0.605,479 51.138,480 1.162,481 11.184,482 0.254,483 10.257,484 0.233,485 0.073,487 0.373,493 0.749,494 1.431,495 0.734,496 1.11,497 0.519,498 0.944,499 0.776,500 1.07,501 0.846,502 0.956,503 0.52,504 0.907,505 0.979,506 1.081,507 0.964,508 1.034,509 0.842,510 0.995,511 1.214,512 0.974,513 0.984,514 0.959,515 1.283,516 0.937,517 1.152,518 0.999,519 1.119,520 1.063,521 1.374,522 1.092,523 0.832,524 1.026,525 0.954,526 1.052,527 0.803,528 1.03,529 0.767,530 0.936,531 0.857,532 0.928,533 0.596,534 0.91,535 1.149,536 0.922,537 0.898,538 0.874,539 1.003,540 0.852,541 8,542 0.265,543 4.889,544 4.146,545 2,546 1.71,547 1.121,548 0.893,549 0.589,550 0.536,551 39021,552 98245,553 2.176,554 42.9,556 18,557 1,558 3,559 2,560 1,561 8,564 1.821,565 2.063,566 4.025,567 0.126,573 121.961,574 1.584,575 3.926,576 5.059,577 5.504,578 5.686,579 5.686,580 3.511,581 5.141,582 5.423,583 4.234,584 4005.32,585 9.603,586 75729.2,591 482.543,592 1.322,593 5.403,594 0.16,595 0.005,596 0.068,597 0.057,598 0.028,599 0.025,600 0.017,601 0.014,602 0.009,603 0.009,604 0.391,605 0.33,606 0.63,607 0.439,608 257.716,609 -0.043,610 -0.242,611 0.066,612 -0.077,613 -0.007,614 -0.002,615 0.06,616 0.068,617 0.04,618 0.028,619 0.071,620 0.033,621 -0.028,622 -0.052,623 -0.009,624 -0.044,625 0.019,626 -0.022,627 -0.116,628 0.011,629 0.009,630 0.028,631 -0.075,632 0.039,633 -0.02,634 0.011,635 -0.152,636 -0.069,637 -0.091,638 -0.129,639 0.035,640 -0.061,641 0.025,642 -0.046,643 0.007,644 -0.017,645 0.193,646 0.016,647 0.151,648 0.064,649 0.218,650 0.097,651 -0.104,652 0.024,653 0.109,654 0.126,655 -0.036,656 0.151,657 2.111,658 6.47,659 0.795,660 70.012,661 1.007,662 1.126,663 1.807,664 3.266,665 0.672,666 3.932,667 4.29,668 4.615,669 4.927,670 5.142,671 5.268,672 5.493,673 5.687,674 5.832,675 6.009,676 9.8,677 0.647,678 591.73,679 3.932,680 5.501,681 6.378,682 7.277,683 8.169,684 9.074,685 9.974,686 10.882,687 11.788,688 12.699,689 9.1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 77,733 26,734 1,735 50,737 83,738 33,739 18,740 3,741 3,742 3,746 7,747 9,751 1,755 4,756 1,758 4,761 23,762 10,763 1,766 4,771 3,773 1,775 4,781 33,782 10,783 2,784 11,790 7,794 0.714,795 4,805 2,807 1,808 1,811 3,812 4,815 2,827 1,831 2,840 5,844 1,848 44,854 8,855 2,856 1,858 1,859 2,870 5.2,873 3,875 1,877 21.333,878 14.167,879 9.444,880 4.844,881 4.959,882 1.508,883 1.024,884 7.833,885 14.728,886 4.19,887 4.79,888 5.392,889 5.995,890 6.523,891 6.854,892 7.332,893 7.778,894 8.116,895 8.569,896 0.917,897 73,898 16.396,900 7.258,901 7.746,902 31.388,904 26.786,905 2.246,906 98.833,910 364.904,911 173.011,912 77.74,914 86.435,917 173.011,918 451.339,919 77.74,920 8.396,921 57.707,922 75.381,923 161.116,924 65.623,925 16.047,926 317.82,928 364.904,929 250.751,930 86.435,933 270.735,934 180.603,937 88.463,938 113.997,939 48.291,941 364.904,942 164.175,943 173.011,946 364.904,947 62.091,948 119.068,949 36.022,950 120.006,951 364.904,952 164.175,953 173.011,955 0.588,956 0.352,957 0.197,958 0.102,959 37,960 16,961 0.06,962 5,963 2,964 1.114,965 5.365,966 475.77,967 0.114,968 35,969 232.215,974 28.569,975 12.063,976 5.731,977 1.743,978 162.276,979 17.378,980 8.613,984 3.683,985 1.949,986 36.022,987 702.09,988 65,993 38.924,995 1.766,997 -0.203,999 77.509,1000 86.723,1001 0.253,1002 0.626,1003 0.807,1004 0.878,1005 0.907,1006 0.907,1007 5.457,1008 2.194,1009 6.372,1010 6.752,1011 4.977,1012 5.479,1013 2.703,1014 7.217,1015 4.907,1016 6.662,1017 1.966,1018 7.949,1019 6.45,1020 4.575,1021 5.308,1022 2.078,1023 8.162,1024 4.481,1025 7.977,1026 1.824,1027 9.627,1028 6.063,1029 6.603,1030 7.669,1031 3.44,1032 11.308,1033 6.468,1034 9.328,1035 1.774,1036 11.365,1037 5.181,1038 7.048,1039 8.366,1040 3.478,1041 13.119,1042 6.894,1043 10.714,1044 1.611,1045 13.142,1046 5.029,1047 8.529,1048 10.209,1049 4.477,1050 15.782,1051 8.338,1052 12.125,1053 1.385,1054 14.947,1055 4.712,1056 9.363,1057 11.328,1058 4.812,1059 17.959,1060 9.153,1061 13.557,1062 1.354,1063 16.774,1064 3.436,1065 10.635,1066 12.972,1067 5.638,1068 20.468,1069 10.395,1070 3.315,1071 1.203,1072 18.617,1073 2.992,1074 11.65,1075 14.304,1076 6.121,1077 22.802,1078 11.388,1079 3.172,1080 11.949,1081 20.473,1082 2.958,1083 12.845,1084 15.87,1085 6.86,1086 25.264,1087 12.556,1088 2.977,1089 10.802,1090 22.34,1091 4.706,1092 13.942,1093 17.307,1094 7.421,1095 27.665,1096 13.629,1097 2.677,1098 9.677,1099 24.216,1100 4.126,1101 15.113,1102 18.847,1103 8.117,1104 30.117,1105 14.773,1106 2.651,1107 8.669,1108 26.1,1109 3.483,1110 16.247,1111 20.335,1112 8.721,1113 32.549,1114 15.883,1115 2.454,1116 7.752,1117 27.99,1118 3.328,1119 17.413,1120 21.869,1121 9.396,1122 35.002,1123 17.022,1124 2.23,1125 7.329,1126 29.886,1127 3.296,1128 18.567,1129 23.383,1130 10.024,1131 37.45,1132 18.149,1133 35398,1134 56504,1135 34.213,1136 51.756,1137 76.696,1138 79.319,1139 77.52,1140 76.053,1141 75.985,1142 96.998,1143 12.118,1144 224.153,1145 73.399,1146 5.736,1147 5.82,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.353,1154 5.213,1155 18.475,1156 1.534,1157 1.586,1158 1.55,1159 1.521,1160 1.52,1161 1.94,1162 0.242,1163 4.483,1164 1.468,1165 4.161,1166 4.197,1167 4.131,1168 4.049,1169 7.433,1170 4.065,1171 3.984,1172 4.003,1173 3.953,1174 3.886,1175 7.427,1176 3.898,1177 3.916,1178 3.969,1179 3.828,1180 3.763,1181 7.425,1182 3.77,1183 3.862,1184 3.905,1185 3.8,1186 3.734,1187 5.029,1188 3.743,1189 3.749,1190 3.819,1191 3.616,1192 3.597,1193 4.908,1194 3.59,1195 3.549,1196 3.578,1197 3.503,1198 3.403,1199 4.846,1200 3.417,1201 3.441,1202 3.501,1203 3.351,1204 3.252,1205 4.442,1206 3.271,1207 3.328,1208 3.371,1209 3.26,1210 3.08,1211 4.332,1212 3.125,1213 0.095,1214 0.076,1215 0.14,1216 0.086,1217 0.066,1218 4.736,1219 0.094,1220 3.82,1221 0.039,1222 6.998,1223 0.239,1224 4.283,1225 0.064,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.213,1231 1.939,1232 1.905,1233 2.066,1234 2.083,1235 1.421,1236 2.078,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.211,1242 1.993,1243 1.816,1244 1.777,1245 1.928,1246 1.945,1247 1.102,1248 1.942,1249 1.781,1250 1.74,1251 1.905,1252 1.943,1253 1.078,1254 1.935,1255 1.652,1256 1.61,1257 1.86,1258 1.83,1259 0.966,1260 1.822,1261 1.577,1262 1.507,1263 1.794,1264 1.751,1265 0.944,1266 1.793,1267 1.452,1268 1.383,1269 1.679,1270 1.707,1271 0.886,1272 1.701,1273 1.366,1274 1.318,1275 1.558,1276 1.58,1277 0.825,1278 1.564,1279 4.615,1281 5.964,1282 3.434,1283 7.498,1284 5.82,1285 9.118,1286 7.934,1287 10.785,1289 1.933,1295 7.16,1296 5.468,1297 6.001,1299 0.072,1300 4.347,1305 49.857,1306 121.961,1307 302.276,1308 389.523,1309 423.788,1310 437.788,1311 437.788,1312 84.662,1313 9.77,1314 125.6,1315 125.6,1316 39,1317 13.215,1318 4.755,1319 4,1320 60.376,1321 254,1322 290,1323 0.112,1324 298.125,1325 524.54,1326 719.186,1327 331311,1329 30.208,1330 0.687,1331 0.556,1332 30.208,1333 24.454,1334 21.441,1335 0.429,1336 0.3,1337 14.761,1338 20.556,1339 14.495,1340 11.921,1341 21.441,1342 14.985,1343 19.662,1344 0.273,1345 0.16,1346 19.662,1347 11.489,1348 17.305,1349 0.173,1350 0.086,1351 17.305,1352 8.599,1353 15.054,1354 0.11,1355 0.047,1356 15.054,1357 6.394,1358 11.897,1359 0.07,1360 0.025,1361 11.897,1362 4.22,1363 0.18,1364 134.773,1365 0.171,1366 39.22,1367 0.296,1368 244,1369 703.833,1370 269.088,1371 676.087,1372 933.65,1373 634,1374 294,1375 700.717,1376 320.922,1377 704.933,1378 1041.09,1379 665,1380 6.041}
{0 CHEMBL1091700,1 1.57,2 17.956,3 3.053,4 9.318,5 171.668,6 7.572,7 0.431,8 4.496,9 4.615,10 4.085,11 4.024,12 5.577,13 4.017,14 5.064,15 5.238,16 4.472,17 4.453,18 6.115,19 4.424,20 5.352,21 5.562,22 4.547,23 4.608,24 6.388,25 4.55,26 5.413,27 5.636,28 4.51,29 4.603,30 6.462,31 4.535,32 5.37,33 5.573,34 4.505,35 4.595,36 6.479,37 4.526,38 5.423,39 5.652,40 4.475,41 4.623,42 6.396,43 4.532,44 5.41,45 5.65,46 4.468,47 4.575,48 6.473,49 4.487,50 5.335,51 5.576,52 4.38,53 4.501,54 6.319,55 4.422,56 0.051,57 1.236,58 15.872,59 6.955,60 9.827,61 9.104,62 0.434,63 2.048,64 31.57,65 11.843,66 35.472,67 16.13,68 0.592,69 2.51,70 45.674,71 16.242,72 67.659,73 22.352,74 0.691,75 2.552,76 50.494,77 17.339,78 91.125,79 23.611,80 0.872,81 2.456,82 47.329,83 16.854,84 105.043,85 22.524,86 0.682,87 2.57,88 50.826,89 18.271,90 77.272,91 25.413,92 0.912,93 2.497,94 51.413,95 17.798,96 113.294,97 25.258,98 0.614,99 2.296,100 48.105,101 16.557,102 77.046,103 22.961,104 17,105 73,106 0.236,107 0.582,108 0.758,109 0.835,110 0.862,111 0.862,112 3.832,113 0.911,114 -3.22,115 -3.21,116 -3.08,119 42.5,121 5,122 1,124 1,125 4,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 9,174 2,175 17,178 2,179 1,180 3,183 6,186 1,187 15,190 1,192 3,195 4,198 2,199 11,204 3,207 10,211 4,212 6,215 3,217 3,220 13,223 3,224 6,229 1,232 10,236 4,237 15,240 2,242 1,245 7,250 13,255 2,258 4,262 4,263 10,266 1,268 1,271 7,275 4941,276 30.877,277 30.877,278 30.877,279 30.877,280 30.877,281 27.736,282 41.046,283 18.121,284 31.476,285 25.21,286 25.21,287 25.21,288 25.21,289 25.21,290 20.226,291 56.256,292 8.656,293 26.15,294 4.752,295 2.444,296 1.278,297 0.759,298 0.584,299 0.584,300 4.553,306 1806,307 4,310 205.884,311 713.132,314 387.059,318 2.93,319 48.228,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 97.5,331 808,332 4.736,333 3.819,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.117,351 3.56,352 6.392,353 3.953,354 2.972,355 3.483,356 0.86,357 9.674,358 2.914,359 3.996,360 3.373,361 6.061,362 3.637,363 2.676,364 3.328,365 0.8,366 8.669,367 2.566,368 3.886,369 2.894,370 5.673,371 3.583,372 2.65,373 3.295,374 0.555,375 7.752,376 2.473,377 3.853,378 2.776,379 5.53,380 3.424,381 2.454,382 3.225,383 0.247,384 7.329,385 2.374,386 3.602,387 2.556,388 5.38,389 3.182,390 2.22,391 2.927,393 6.751,394 2.135,395 3.389,396 2.474,397 5.257,398 3.164,399 2.193,400 2.663,402 6.43,403 2.116,404 3.287,405 2.458,406 5.217,407 2.954,408 1.966,409 2.448,411 6.059,412 1.93,413 3.228,414 2.218,415 4.879,416 2.8,417 1.824,418 2.342,420 5.18,421 1.765,422 3.036,423 2.115,424 4.742,425 2.741,426 1.782,427 2.174,428 5.028,429 1.707,430 3.004,431 1.877,432 4.608,433 2.562,434 1.611,435 2.064,436 4.712,437 1.521,438 2.847,439 1.779,440 4.198,441 2.458,442 1.48,443 1.98,445 3.48,446 1.44,447 2.687,448 1.519,449 3.86,450 2.348,451 1.385,452 1.758,454 3.127,455 1.33,456 2.611,457 1.411,458 3.727,459 2.183,460 1.21,461 1.603,463 2.992,464 1.175,465 21.133,466 0.47,467 1.075,468 0.024,469 59,470 1.311,471 28,472 0.622,473 31,474 0.689,475 44.064,476 0.979,477 47.867,478 0.598,479 51.775,480 1.151,481 11.184,482 0.249,483 10.757,484 0.239,485 0.071,487 0.364,493 0.747,494 1.434,495 0.748,496 1.12,497 0.518,498 0.958,499 0.771,500 1.082,501 0.858,502 0.974,503 0.517,504 0.925,505 0.963,506 1.082,507 0.946,508 1.023,509 0.823,510 0.981,511 1.192,512 0.98,513 1.001,514 0.975,515 1.238,516 0.959,517 1.146,518 0.975,519 1.072,520 1.029,521 1.387,522 1.046,523 0.903,524 1.025,525 0.976,526 1.046,527 0.915,528 1.029,529 0.752,530 0.955,531 0.873,532 0.955,533 0.583,534 0.937,535 1.097,536 0.937,537 0.891,538 0.89,539 0.951,540 0.866,541 8,542 0.277,543 4.889,544 4.306,545 2.031,546 1.73,547 1.131,548 0.927,549 0.607,550 0.54,551 41477,552 102355,553 2.172,554 43.8,555 2,556 18,557 1,558 3,559 2,560 1,561 8,564 1.826,565 2.061,566 4.069,567 0.115,573 125.604,574 1.57,575 3.878,576 5.044,577 5.562,578 5.737,579 5.737,580 3.561,581 5.075,582 5.455,583 4.269,584 4226.56,585 9.667,586 81522.3,591 505.754,592 1.312,593 5.436,594 0.157,595 0.005,596 0.067,597 0.057,598 0.028,599 0.024,600 0.016,601 0.014,602 0.009,603 0.009,604 0.386,605 0.33,606 0.63,607 0.432,608 265.572,609 -0.038,610 -0.236,611 0.067,612 -0.075,613 -0.002,614 -0.002,615 0.067,616 0.057,617 0.038,618 0.018,619 0.075,620 0.025,621 -0.017,622 -0.051,623 0.012,624 -0.031,625 0.028,626 -0.004,627 -0.11,628 0.005,629 -0.007,630 0.01,631 -0.061,632 0.019,634 0.026,635 -0.091,636 -0.034,637 -0.075,638 -0.076,639 0.013,640 -0.054,641 0.003,642 -0.041,643 -0.017,644 -0.024,645 0.192,646 0.001,647 0.126,648 0.039,649 0.217,650 0.068,651 -0.08,652 0.002,653 0.118,654 0.108,655 -0.017,656 0.141,657 2.11,658 6.491,659 0.8,660 73.973,661 1.005,662 1.127,663 1.99,664 3.961,665 0.669,666 3.951,667 4.304,668 4.625,669 4.934,670 5.176,671 5.278,672 5.509,673 5.7,674 5.844,675 6.019,676 10.022,677 0.642,678 605.76,679 3.951,680 5.517,681 6.392,682 7.288,683 8.178,684 9.081,685 9.98,686 10.887,687 11.791,688 12.702,689 8.8,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 80,733 26,734 1,735 51,737 86,738 34,739 18,740 3,741 3,742 3,746 7,747 9,751 1,755 5,756 1,758 5,761 23,762 11,763 1,766 4,771 3,773 1,775 4,781 35,782 10,783 2,784 11,790 7,794 0.714,795 4,805 2,807 1,811 2,812 5,815 2,827 1,831 2,840 5,844 1,848 45,854 9,855 2,856 1,858 1,859 2,870 5,873 3,875 1,877 21.833,878 14.667,879 9.694,880 5.094,881 4.959,882 1.503,883 1.02,884 8.304,885 14.818,886 4.205,887 4.798,888 5.396,889 5.997,890 6.531,891 6.856,892 7.336,893 7.779,894 8.117,895 8.569,896 1,897 76,898 16.779,900 7.404,901 7.73,902 32.204,904 27.453,905 2.23,906 100.333,910 388.446,911 175.546,912 77.74,914 86.435,917 175.546,918 474.881,919 77.74,920 8.396,921 60.241,922 75.381,923 161.116,924 65.623,925 16.047,926 341.362,928 388.446,929 253.286,930 86.435,933 294.278,934 180.603,937 90.998,938 113.997,939 48.291,941 388.446,942 164.175,943 175.546,946 388.446,947 64.626,948 119.068,949 36.022,950 120.006,951 388.446,952 164.175,953 175.546,955 0.586,956 0.35,957 0.196,958 0.106,959 37,960 16,961 0.058,962 5,963 2,964 1.111,965 5.439,966 488.535,967 0.111,968 36,969 239.133,974 29.513,975 12.661,976 6.071,977 1.745,978 162.276,979 17.397,980 8.624,984 3.688,985 1.952,986 36.022,987 728.167,988 66,993 39.111,995 1.769,997 -0.194,999 80.392,1000 90.139,1001 0.248,1002 0.613,1003 0.798,1004 0.88,1005 0.908,1006 0.908,1007 5.47,1008 2.193,1009 6.382,1010 6.751,1011 4.99,1012 5.487,1013 2.703,1014 7.223,1015 4.922,1016 6.671,1017 1.966,1018 7.956,1019 6.43,1020 4.575,1021 5.308,1022 2.078,1023 8.162,1024 4.481,1025 7.984,1026 1.824,1027 9.631,1028 6.059,1029 6.611,1030 7.672,1031 3.44,1032 11.31,1033 6.477,1034 9.331,1035 1.782,1036 11.367,1037 5.18,1038 7.04,1039 8.363,1040 3.478,1041 13.117,1042 6.886,1043 10.716,1044 1.611,1045 13.144,1046 5.028,1047 8.533,1048 10.21,1049 4.477,1050 15.782,1051 8.343,1052 12.126,1053 1.48,1054 14.948,1055 4.712,1056 9.356,1057 11.327,1058 4.812,1059 17.959,1060 9.147,1061 13.557,1062 1.385,1063 16.774,1064 3.48,1065 10.636,1066 12.972,1067 5.638,1068 20.468,1069 10.396,1070 3.315,1071 1.21,1072 18.616,1073 3.127,1074 11.644,1075 14.303,1076 6.121,1077 22.801,1078 11.384,1079 3.172,1080 11.949,1081 20.472,1082 2.992,1083 12.844,1084 15.87,1085 6.86,1086 25.264,1087 12.555,1088 2.972,1089 10.802,1090 22.339,1091 4.706,1092 13.937,1093 17.307,1094 7.421,1095 27.665,1096 13.626,1097 2.676,1098 9.674,1099 24.215,1100 4.126,1101 15.11,1102 18.847,1103 8.117,1104 30.117,1105 14.771,1106 2.65,1107 8.669,1108 26.099,1109 3.483,1110 16.244,1111 20.335,1112 8.721,1113 32.549,1114 15.88,1115 2.454,1116 7.752,1117 27.989,1118 3.328,1119 17.41,1120 21.869,1121 9.396,1122 35.002,1123 17.02,1124 2.22,1125 7.329,1126 29.885,1127 3.295,1128 18.564,1129 23.382,1130 10.024,1131 37.45,1132 18.147,1133 37724,1134 59657,1135 34.906,1136 53.517,1137 78.314,1138 80.749,1139 79.277,1140 77.456,1141 77.392,1142 98.413,1143 12.118,1144 226.983,1145 74.806,1146 5.736,1147 5.819,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.353,1154 5.213,1155 18.741,1156 1.536,1157 1.583,1158 1.554,1159 1.519,1160 1.517,1161 1.93,1162 0.238,1163 4.451,1164 1.467,1165 4.161,1166 4.197,1167 4.132,1168 4.049,1169 7.433,1170 4.065,1171 3.984,1172 4.004,1173 3.953,1174 3.886,1175 7.427,1176 3.898,1177 3.914,1178 3.967,1179 3.825,1180 3.764,1181 7.425,1182 3.77,1183 3.862,1184 3.905,1185 3.798,1186 3.734,1187 5.03,1188 3.742,1189 3.759,1190 3.827,1191 3.622,1192 3.615,1193 4.908,1194 3.606,1195 3.55,1196 3.579,1197 3.503,1198 3.404,1199 4.846,1200 3.418,1201 3.446,1202 3.505,1203 3.359,1204 3.254,1205 4.442,1206 3.274,1207 3.33,1208 3.373,1209 3.264,1210 3.081,1211 4.331,1212 3.126,1213 0.093,1214 0.075,1215 0.137,1216 0.084,1217 0.065,1218 4.736,1219 0.092,1220 3.819,1221 0.038,1222 6.998,1223 0.234,1224 4.283,1225 0.063,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.213,1231 1.942,1232 1.907,1233 2.083,1234 2.092,1235 1.437,1236 2.089,1237 1.884,1238 1.863,1239 2.023,1240 2.011,1241 1.373,1242 2.015,1243 1.839,1244 1.789,1245 1.967,1246 2.006,1247 1.099,1248 1.993,1249 1.816,1250 1.777,1251 1.927,1252 1.943,1253 1.076,1254 1.941,1255 1.732,1256 1.677,1257 1.896,1258 1.905,1259 0.944,1260 1.91,1261 1.652,1262 1.609,1263 1.794,1264 1.821,1265 0.886,1266 1.817,1267 1.378,1268 1.336,1269 1.561,1270 1.588,1271 0.825,1272 1.572,1273 1.253,1274 1.21,1275 1.513,1276 1.566,1277 0.825,1278 1.514,1279 4.635,1281 5.979,1282 3.045,1283 7.516,1284 5.533,1285 9.138,1286 7.719,1287 10.806,1289 1.936,1295 8.371,1296 5.473,1297 6.01,1299 0.067,1300 4.384,1305 51.384,1306 125.604,1307 310.209,1308 403.515,1309 444.999,1310 458.999,1311 458.999,1312 88.019,1313 9.86,1314 125.6,1315 125.6,1316 40,1317 13.218,1318 4.755,1319 4,1320 62.429,1321 265,1322 303,1323 0.111,1324 307.718,1325 541.84,1326 742.591,1327 372807,1329 30.915,1330 0.687,1331 0.559,1332 30.915,1333 25.161,1334 21.941,1335 0.43,1336 0.304,1337 15.261,1338 21.056,1339 14.985,1340 12.337,1341 21.941,1342 15.485,1343 20.015,1344 0.274,1345 0.162,1346 20.015,1347 11.843,1348 17.555,1349 0.174,1350 0.088,1351 17.555,1352 8.849,1353 15.231,1354 0.11,1355 0.048,1356 15.231,1357 6.571,1358 12.509,1359 0.071,1360 0.027,1361 12.509,1362 4.694,1363 0.178,1364 137.773,1365 0.169,1366 39.963,1367 0.292,1368 248,1369 707.833,1370 273.088,1371 680.249,1372 939.41,1373 638,1374 298,1375 704.717,1376 324.922,1377 709.094,1378 1046.85,1379 669,1380 6.222}
{0 CHEMBL1091701,1 1.575,2 18.702,3 2.184,4 4.769,5 180.113,6 7.468,7 0.415,8 4.553,9 4.677,10 4.131,11 4.06,12 5.634,13 4.054,14 5.125,15 5.31,16 4.523,17 4.49,18 6.16,19 4.467,20 5.39,21 5.59,22 4.593,23 4.66,24 6.43,25 4.601,26 5.51,27 5.742,28 4.569,29 4.683,30 6.527,31 4.606,32 5.495,33 5.722,34 4.544,35 4.67,36 6.544,37 4.585,38 5.484,39 5.723,40 4.531,41 4.661,42 6.454,43 4.572,44 5.449,45 5.679,46 4.526,47 4.612,48 6.553,49 4.536,50 5.398,51 5.63,52 4.446,53 4.588,54 6.379,55 4.505,56 0.051,57 1.331,58 17.373,59 7.242,60 10.764,61 9.765,62 0.513,63 2.181,64 34.754,65 11.972,66 38.491,67 16.855,68 0.608,69 2.638,70 47.018,71 16.657,72 66.112,73 23.116,74 0.721,75 2.773,76 56.34,77 19.122,78 96.735,79 26.781,80 1.017,81 2.716,82 55.589,83 18.798,84 110.992,85 26.315,86 0.69,87 2.687,88 54.906,89 19.174,90 76.602,91 27.322,92 1.042,93 2.576,94 53.552,95 17.616,96 133.451,97 24.922,98 0.637,99 2.468,100 50.404,101 17.528,102 75.469,103 24.455,104 38,105 77,106 0.234,107 0.583,108 0.769,109 0.848,110 0.868,111 0.868,112 3.874,113 0.903,114 -2.68,115 -2.7,116 -2.63,119 41.2,121 3,122 1,124 3,125 4,127 1,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 7,174 2,175 17,178 2,179 1,180 3,183 5,186 2,187 14,190 1,192 3,195 4,198 2,199 10,204 3,207 9,211 5,212 6,215 3,217 3,220 10,223 3,224 8,229 1,232 8,236 4,237 14,240 2,242 1,245 7,249 1,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 5,275 5649,276 31.825,277 31.825,278 31.825,279 31.825,280 31.825,281 28.683,282 45.518,283 18.4,284 32.525,285 26.161,286 26.161,287 26.161,288 26.161,289 26.161,290 21.177,291 66.774,292 8.758,293 27.253,294 4.835,295 2.487,296 1.236,297 0.703,298 0.568,299 0.568,300 4.59,306 1950,307 4.416,310 359.33,311 591.602,314 412.431,318 3.16,319 49.476,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 102,331 879,332 4.736,333 3.826,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.214,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.148,351 3.56,352 6.423,353 4,354 3.03,355 3.483,356 0.86,357 9.811,358 2.943,359 3.996,360 3.374,361 6.065,362 3.682,363 2.733,364 3.329,365 0.8,366 8.691,367 2.597,368 3.893,369 3.007,370 5.915,371 3.634,372 2.672,373 3.307,374 0.8,375 8.162,376 2.564,377 3.856,378 2.888,379 5.673,380 3.529,381 2.583,382 3.234,383 0.555,384 7.752,385 2.437,386 3.699,387 2.776,388 5.529,389 3.423,390 2.454,391 2.928,392 0.247,393 7.329,394 2.37,395 3.602,396 2.556,397 5.376,398 3.165,399 2.197,400 2.725,402 6.747,403 2.117,404 3.387,405 2.473,406 5.244,407 3.023,408 2.077,409 2.663,411 6.219,412 1.958,413 3.23,414 2.321,415 5.166,416 2.948,417 1.96,418 2.448,420 5.967,421 1.924,422 3.193,423 2.214,424 4.876,425 2.799,426 1.823,427 2.277,428 5.166,429 1.764,430 3.031,431 2.094,432 4.741,433 2.674,434 1.735,435 2.167,436 5.017,437 1.623,438 2.909,439 1.875,440 4.608,441 2.562,442 1.611,443 1.98,445 4.71,446 1.521,447 2.847,448 1.778,449 4.195,450 2.348,451 1.385,452 1.948,454 3.387,455 1.33,456 2.675,457 1.519,458 3.882,459 2.252,460 1.28,461 1.748,463 2.992,464 1.236,465 22.033,466 0.469,467 1.271,468 0.027,469 60.75,470 1.293,471 28,472 0.596,473 32.75,474 0.697,475 47.446,476 1.009,477 50.567,478 0.595,479 55.379,480 1.178,481 11.805,482 0.251,483 10.94,484 0.233,485 0.113,487 0.39,493 0.768,494 1.524,495 0.762,496 1.17,497 0.535,498 0.991,499 0.862,500 1.013,501 0.847,502 0.872,503 0.526,504 0.84,505 0.988,506 1.124,507 1.016,508 1.099,509 0.853,510 1.062,511 1.115,512 1.004,513 0.977,514 0.999,515 1.185,516 0.973,517 1.04,518 0.918,519 1.029,520 0.98,521 1.223,522 1.006,523 0.862,524 1.013,525 0.903,526 1.023,527 0.87,528 0.98,529 1.015,530 0.95,531 0.958,532 0.934,533 0.956,534 0.938,535 1.085,536 0.965,537 0.961,538 0.969,539 0.958,540 0.954,541 9.5,542 0.305,543 5.556,544 4.493,545 2.375,546 1.932,547 1.284,548 0.971,549 0.64,550 0.592,551 46492,552 114848,553 2.138,554 44.7,556 25,557 1,558 3,559 2,560 1,561 4,562 2,564 1.836,565 2,566 4.129,567 0.116,573 133.852,574 1.575,575 3.922,576 5.173,577 5.706,578 5.842,579 5.842,580 3.599,581 5.257,582 5.518,583 4.339,584 4690.33,585 9.79,586 94141.3,591 544.798,592 1.414,593 5.487,594 0.179,595 0.005,596 0.072,597 0.057,598 0.031,599 0.026,600 0.018,601 0.013,602 0.009,603 0.009,604 0.421,605 0.33,606 0.63,607 0.615,608 281.486,609 -0.037,610 -0.297,611 0.071,612 -0.105,613 -0.013,614 -0.017,615 0.026,616 0.147,617 0.071,618 0.115,619 0.073,620 0.109,621 -0.034,622 -0.061,623 -0.072,624 -0.094,625 0.009,626 -0.086,627 -0.083,628 -0.028,629 0.014,630 -0.003,631 -0.051,632 0.019,633 0.037,634 0.065,635 -0.036,636 0.012,637 -0.029,638 -0.022,639 0.044,640 -0.05,641 0.079,642 -0.013,643 0.029,644 0.032,645 0.097,646 0.023,647 0.045,648 0.053,649 0.136,650 0.044,651 -0.089,653 0.025,654 0.04,655 -0.034,656 0.05,657 2.113,658 6.525,659 0.745,660 81.385,661 1.004,662 1.13,663 1.454,664 2.115,665 0.662,666 3.989,667 4.357,668 4.673,669 4.977,670 5.204,671 5.338,672 5.541,673 5.727,674 5.872,675 6.061,676 10.485,677 0.634,678 634.81,679 3.989,680 5.565,681 6.441,682 7.341,683 8.234,684 9.139,685 10.04,686 10.948,687 11.854,688 12.765,689 9.4,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 85,733 26,734 1,735 53,737 91,738 35,739 18,740 3,741 3,742 3,746 7,747 9,751 1,755 4,756 1,758 4,761 23,762 12,763 1,766 4,771 3,773 1,775 4,781 38,782 11,783 2,784 12,790 8,794 0.714,795 4,805 2,807 1,808 1,811 3,812 4,815 2,827 1,831 2,836 1,840 5,844 3,848 47,854 7,855 2,856 1,858 2,859 3,870 4.7,873 3,875 1,877 23.5,878 16.2,879 10.056,880 5.144,881 4.958,882 1.495,883 1.005,884 8.749,885 14.978,886 4.234,887 4.83,888 5.419,889 6.012,890 6.54,891 6.871,892 7.342,893 7.783,894 8.12,895 8.573,896 0.923,897 79,898 17.512,900 7.693,901 7.727,902 33.559,904 28.479,905 2.227,906 104.667,910 423.76,911 187.269,912 80.865,914 86.435,917 187.269,918 510.194,919 80.865,920 25.189,921 55.172,922 75.381,923 161.116,924 68.748,925 16.047,926 376.675,928 423.76,929 268.134,930 86.435,933 353.133,934 157.061,937 89.053,938 130.79,939 48.291,941 423.76,942 167.299,943 187.269,946 423.76,947 59.557,948 138.985,949 36.022,950 120.006,951 423.76,952 167.299,953 187.269,955 0.593,956 0.352,957 0.192,958 0.103,959 39,960 18,961 0.066,962 6,963 2,964 1.114,965 5.547,966 516.598,967 0.114,968 35,969 255.066,974 31.37,975 13.109,976 6.377,977 1.732,978 165.4,979 17.386,980 8.635,984 3.662,985 1.95,986 36.022,987 778.328,988 68,993 39.361,995 1.767,997 -0.233,999 85.378,1000 96.052,1001 0.246,1002 0.612,1003 0.807,1004 0.89,1005 0.911,1006 0.911,1007 5.511,1008 2.197,1009 6.444,1010 7.329,1011 5.043,1012 5.519,1013 2.766,1014 7.294,1015 4.968,1016 6.718,1017 2.077,1018 8.028,1019 6.747,1020 4.691,1021 5.366,1022 2.125,1023 8.247,1024 4.586,1025 8.033,1026 1.96,1027 9.709,1028 6.219,1029 6.678,1030 7.695,1031 3.455,1032 11.38,1033 6.534,1034 9.383,1035 1.823,1036 11.449,1037 5.967,1038 7.148,1039 8.393,1040 3.488,1041 13.181,1042 6.979,1043 10.766,1044 1.735,1045 13.226,1046 5.166,1047 8.609,1048 10.224,1049 4.48,1050 15.837,1051 8.406,1052 12.174,1053 1.611,1054 15.029,1055 5.017,1056 9.45,1057 11.341,1058 4.814,1059 18.003,1060 9.225,1061 13.602,1062 1.385,1063 16.852,1064 4.71,1065 10.714,1066 12.98,1067 5.639,1068 20.506,1069 10.457,1070 3.315,1071 1.28,1072 18.691,1073 3.387,1074 11.727,1075 14.309,1076 6.121,1077 22.832,1078 11.448,1079 3.172,1080 11.949,1081 20.543,1082 2.992,1083 12.917,1084 15.874,1085 6.86,1086 25.29,1087 12.61,1088 3.03,1089 10.802,1090 22.405,1091 4.706,1092 14.011,1093 17.31,1094 7.421,1095 27.686,1096 13.679,1097 2.733,1098 9.811,1099 24.276,1100 4.126,1101 15.177,1102 18.849,1103 8.117,1104 30.135,1105 14.819,1106 2.672,1107 8.691,1108 26.155,1109 3.483,1110 16.309,1111 20.337,1112 8.721,1113 32.564,1114 15.925,1115 2.583,1116 8.162,1117 28.041,1118 3.329,1119 17.471,1120 21.87,1121 9.396,1122 35.015,1123 17.061,1124 2.454,1125 7.752,1126 29.933,1127 3.307,1128 18.622,1129 23.383,1130 10.024,1131 37.46,1132 18.185,1133 42632,1134 67441,1135 35.717,1136 56.285,1137 81.899,1138 84.352,1139 83.424,1140 81.096,1141 81.014,1142 102.031,1143 13.718,1144 240.786,1145 77.978,1146 5.736,1147 5.826,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.353,1154 5.214,1155 24.244,1156 1.545,1157 1.592,1158 1.574,1159 1.53,1160 1.529,1161 1.925,1162 0.259,1163 4.543,1164 1.471,1165 4.162,1166 4.198,1167 4.132,1168 4.05,1169 7.433,1170 4.066,1171 3.984,1172 4.007,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.936,1178 3.988,1179 3.846,1180 3.775,1181 7.425,1182 3.784,1183 3.863,1184 3.906,1185 3.806,1186 3.736,1187 5.03,1188 3.746,1189 3.781,1190 3.847,1191 3.659,1192 3.626,1193 4.908,1194 3.624,1195 3.551,1196 3.582,1197 3.505,1198 3.404,1199 4.846,1200 3.419,1201 3.467,1202 3.542,1203 3.375,1204 3.256,1205 4.443,1206 3.277,1207 3.404,1208 3.483,1209 3.279,1210 3.166,1211 4.407,1212 3.173,1213 0.089,1214 0.072,1215 0.132,1216 0.081,1217 0.063,1218 4.736,1219 0.089,1220 3.826,1221 0.037,1222 6.998,1223 0.225,1224 4.283,1225 0.061,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.214,1231 1.939,1232 1.905,1233 2.066,1234 2.083,1235 1.421,1236 2.079,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.242,1242 1.993,1243 1.816,1244 1.777,1245 1.928,1246 1.946,1247 1.102,1248 1.942,1249 1.781,1250 1.741,1251 1.909,1252 1.943,1253 1.078,1254 1.936,1255 1.672,1256 1.61,1257 1.904,1258 1.891,1259 0.977,1260 1.902,1261 1.652,1262 1.6,1263 1.794,1264 1.83,1265 0.944,1266 1.822,1267 1.462,1268 1.39,1269 1.708,1270 1.711,1271 0.886,1272 1.71,1273 1.369,1274 1.322,1275 1.588,1276 1.581,1277 0.825,1278 1.569,1279 4.673,1281 6.028,1282 3.434,1283 7.566,1284 5.861,1285 9.185,1286 8.003,1287 10.85,1289 6.093,1295 5.776,1296 5.476,1297 6.02,1299 0.465,1300 6.577,1305 53.932,1306 133.852,1307 333.364,1308 439.74,1309 485.024,1310 496.534,1311 496.534,1312 95.215,1313 10.019,1314 128.84,1315 128.84,1316 39,1317 13.281,1318 4.755,1319 4,1320 66.652,1321 289,1322 329,1323 0.108,1324 324.104,1325 570.14,1326 782.575,1327 451683,1329 32.656,1330 0.695,1331 0.57,1332 32.656,1333 26.772,1334 22.745,1335 0.429,1336 0.301,1337 15.691,1338 21.748,1339 15.296,1340 12.634,1341 22.745,1342 15.954,1343 21.194,1344 0.275,1345 0.164,1346 21.194,1347 12.647,1348 18.362,1349 0.173,1350 0.089,1351 18.362,1352 9.386,1353 15.707,1354 0.109,1355 0.047,1356 15.707,1357 6.82,1358 12.631,1359 0.07,1360 0.026,1361 12.631,1362 4.617,1363 0.175,1364 143.344,1365 0.167,1366 41.412,1367 0.284,1368 260,1369 739.479,1370 286.837,1371 710.871,1372 978.89,1373 666,1374 313,1375 731.478,1376 342.281,1377 739.612,1378 1088.32,1379 694,1380 5}
{0 CHEMBL1091702,1 1.602,2 18.565,3 1.914,4 3.664,5 173.137,6 7.676,7 0.423,8 4.514,9 4.629,10 4.113,11 4.023,12 5.615,13 4.025,14 5.082,15 5.251,16 4.502,17 4.447,18 6.149,19 4.432,20 5.341,21 5.534,22 4.568,23 4.598,24 6.409,25 4.552,26 5.418,27 5.633,28 4.538,29 4.612,30 6.481,31 4.551,32 5.412,33 5.621,34 4.529,35 4.616,36 6.518,37 4.545,38 5.442,39 5.673,40 4.506,41 4.624,42 6.419,43 4.541,44 5.412,45 5.638,46 4.501,47 4.564,48 6.52,49 4.495,50 5.336,51 5.56,52 4.415,53 4.518,54 6.35,55 4.449,56 0.085,57 1.247,58 15.827,59 7.015,60 12.231,61 8.999,62 0.566,63 2.042,64 32.217,65 11.758,66 42.749,67 15.586,68 0.755,69 2.461,70 44.314,71 15.763,72 72.966,73 21.095,74 0.793,75 2.554,76 50.15,77 17.321,78 97.488,79 23.328,80 1.067,81 2.536,82 49.565,83 17.368,84 116.445,85 23.454,86 0.77,87 2.583,88 51.983,89 18.481,90 79.83,91 25.771,92 1.107,93 2.456,94 51.44,95 17.238,96 129.619,97 23.816,98 0.785,99 2.29,100 47.367,101 16.394,102 82.409,103 22.215,104 27,105 75,106 0.24,107 0.601,108 0.795,109 0.863,110 0.884,111 0.884,112 3.853,113 0.891,114 -2.5,115 -2.53,116 -2.47,119 42,121 3,122 1,124 2,125 4,127 1,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 7,174 2,175 17,178 2,179 1,180 3,183 5,186 2,187 14,190 1,192 3,195 4,198 2,199 10,204 3,207 9,211 5,212 6,215 3,217 3,220 10,223 3,224 8,229 1,232 8,236 4,237 14,240 2,242 1,245 7,249 1,250 12,255 2,258 4,262 4,263 10,266 1,268 1,271 5,275 5304,276 31.488,277 31.488,278 31.488,279 31.488,280 31.488,281 28.346,282 43.591,283 18.26,284 32.259,285 25.62,286 25.62,287 25.62,288 25.62,289 25.62,290 20.637,291 61.436,292 8.631,293 26.741,294 4.738,295 2.33,296 1.038,297 0.58,298 0.438,299 0.438,300 4.571,306 1901,307 4.183,310 349.372,311 574.929,314 400.509,318 3.074,319 52.059,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 100.5,331 854,332 4.736,333 3.826,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.214,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.139,351 3.56,352 6.41,353 3.982,354 3.008,355 3.483,356 0.86,357 9.761,358 2.931,359 3.996,360 3.373,361 6.062,362 3.639,363 2.687,364 3.329,365 0.86,366 8.677,367 2.566,368 3.889,369 2.921,370 5.673,371 3.61,372 2.666,373 3.304,374 0.8,375 7.752,376 2.5,377 3.854,378 2.866,379 5.531,380 3.43,381 2.461,382 3.232,383 0.555,384 7.331,385 2.382,386 3.602,387 2.776,388 5.498,389 3.406,390 2.448,391 2.927,392 0.247,393 7.27,394 2.33,395 3.523,396 2.556,397 5.366,398 3.165,399 2.197,400 2.663,402 6.742,403 2.117,404 3.386,405 2.473,406 5.239,407 2.961,408 1.987,409 2.543,411 6.127,412 1.932,413 3.229,414 2.246,415 4.975,416 2.886,417 1.926,418 2.448,420 5.582,421 1.834,422 3.138,423 2.199,424 4.855,425 2.798,426 1.822,427 2.235,428 5.134,429 1.763,430 3.03,431 2.042,432 4.737,433 2.603,434 1.676,435 2.161,436 4.977,437 1.549,438 2.847,439 1.872,440 4.607,441 2.562,442 1.61,443 1.98,445 4.704,446 1.521,447 2.809,448 1.776,449 4.18,450 2.348,451 1.385,452 1.845,454 3.318,455 1.33,456 2.668,457 1.519,458 3.727,459 2.187,460 1.216,461 1.734,463 2.992,464 1.178,465 21.467,466 0.467,467 1.143,468 0.025,469 60,470 1.304,471 28,472 0.609,473 32,474 0.696,475 44.99,476 0.978,477 49.333,478 0.609,479 54.174,480 1.178,481 11.71,482 0.255,483 10.663,484 0.232,485 0.093,487 0.382,493 0.774,494 1.466,495 0.735,496 1.153,497 0.54,498 0.966,499 0.927,500 1.037,501 0.86,502 0.91,503 0.576,504 0.868,505 1.032,506 1.098,507 1.001,508 1.048,509 0.882,510 1.019,511 1.132,512 1.015,513 1.005,514 0.999,515 1.247,516 0.982,517 0.975,518 0.96,519 1.049,520 1.018,521 1.236,522 1.046,523 0.822,524 1.021,525 0.921,526 1.037,527 0.834,528 1.004,529 0.949,530 0.943,531 0.931,532 0.93,533 0.805,534 0.93,535 1.114,536 0.952,537 0.956,538 0.921,539 0.996,540 0.918,541 9,542 0.289,543 5.111,544 4.465,545 2.25,546 1.876,547 1.203,548 0.909,549 0.628,550 0.576,551 43931,552 114683,553 2.155,554 43.2,556 22,557 1,558 3,559 2,560 1,561 4,562 2,564 1.831,565 2.029,566 4.112,567 0.127,573 129.768,574 1.602,575 4.01,576 5.302,577 5.759,578 5.901,579 5.901,580 3.586,581 5.219,582 5.486,583 4.309,584 4459.45,585 9.729,586 87784.3,591 513.528,592 1.368,593 5.462,594 0.173,595 0.005,596 0.068,597 0.058,598 0.03,599 0.026,600 0.017,601 0.013,602 0.01,603 0.009,604 0.409,605 0.33,606 0.63,607 0.588,608 273.556,609 -0.046,610 -0.262,611 0.068,612 -0.099,613 -0.013,614 -0.012,615 -0.004,616 0.099,617 0.041,618 0.081,619 0.046,620 0.073,621 -0.048,622 -0.053,623 -0.053,624 -0.052,625 -0.003,626 -0.051,627 -0.116,628 -0.022,629 -0.023,630 -0.007,631 -0.08,632 0.001,633 0.047,634 0.043,635 -0.073,636 -0.024,637 -0.026,638 -0.066,639 0.03,640 -0.053,641 0.057,642 -0.029,643 0.014,644 0.012,645 0.094,646 0.019,647 0.075,648 0.058,649 0.152,650 0.063,651 -0.099,652 0.003,653 0.04,654 0.083,655 -0.051,656 0.085,657 2.116,658 6.502,659 0.761,660 78.023,661 1.009,662 1.128,663 1.273,664 1.621,665 0.666,666 3.97,667 4.331,668 4.654,669 4.963,670 5.187,671 5.313,672 5.525,673 5.714,674 5.861,675 6.047,676 10.268,677 0.643,678 621.76,679 3.97,680 5.541,681 6.418,682 7.318,683 8.21,684 9.115,685 10.016,686 10.924,687 11.83,688 12.741,689 8.6,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 81,733 26,734 1,735 52,737 87,738 34,739 18,740 3,741 3,742 3,746 7,747 9,751 1,755 4,756 1,758 4,761 23,762 11,763 1,766 4,771 3,773 1,775 4,781 35,782 11,783 2,784 12,790 7,794 0.714,795 5,805 2,807 1,808 1,811 3,812 4,815 2,827 1,831 2,839 1,840 5,844 2,848 46,854 7,855 2,856 2,858 2,859 2,870 6.2,873 3,874 1,875 1,877 22.667,878 15.167,879 9.944,880 4.9,881 4.959,882 1.499,883 1.01,884 8.513,885 14.901,886 4.22,887 4.814,888 5.41,889 6.007,890 6.536,891 6.865,892 7.338,893 7.781,894 8.119,895 8.572,896 0.923,897 77,898 17.136,900 7.554,901 7.764,902 32.679,904 27.708,905 2.264,906 104.167,910 388.446,911 181.36,912 77.74,914 97.435,917 181.36,918 485.881,919 77.74,920 19.279,921 55.172,922 75.381,923 172.116,924 65.623,925 16.047,926 341.362,928 388.446,929 259.1,930 97.435,933 317.82,934 157.061,935 11,937 85.929,938 124.88,939 48.291,941 388.446,942 175.175,943 181.36,946 388.446,947 59.557,948 129.951,949 36.022,950 131.006,951 388.446,952 175.175,953 181.36,955 0.588,956 0.354,957 0.196,958 0.104,959 38,960 17,961 0.069,962 6,963 2,964 1.114,965 5.495,966 502.452,967 0.114,968 35,969 250.084,974 30.422,975 12.873,976 6.159,977 1.714,978 173.276,979 17.328,980 8.617,984 3.625,985 1.941,986 36.022,987 744.981,988 67,993 39.181,995 1.758,997 -0.299,999 81.72,1000 91.348,1001 0.253,1002 0.633,1003 0.836,1004 0.908,1005 0.931,1006 0.931,1007 5.491,1008 2.197,1009 6.415,1010 7.27,1011 5.017,1012 5.503,1013 2.798,1014 7.262,1015 4.94,1016 6.695,1017 1.987,1018 7.995,1019 6.742,1020 4.635,1021 5.338,1022 2.078,1023 8.207,1024 4.534,1025 8.009,1026 1.926,1027 9.672,1028 6.127,1029 6.648,1030 7.684,1031 3.474,1032 11.345,1033 6.502,1034 9.359,1035 1.822,1036 11.408,1037 5.582,1038 7.099,1039 8.38,1040 3.478,1041 13.147,1042 6.935,1043 10.742,1044 1.676,1045 13.183,1046 5.134,1047 8.573,1048 10.217,1049 4.486,1050 15.807,1051 8.371,1052 12.151,1053 1.61,1054 14.984,1055 4.977,1056 9.406,1057 11.334,1058 4.812,1059 17.977,1060 9.185,1061 13.581,1062 1.385,1063 16.807,1064 4.704,1065 10.676,1066 12.976,1067 5.64,1068 20.484,1069 10.422,1070 3.315,1071 1.216,1072 18.646,1073 3.318,1074 11.687,1075 14.306,1076 6.121,1077 22.814,1078 11.414,1079 3.172,1080 11.949,1081 20.499,1082 2.992,1083 12.881,1084 15.872,1085 6.861,1086 25.275,1087 12.578,1088 3.008,1089 10.802,1090 22.363,1091 4.706,1092 13.975,1093 17.308,1094 7.421,1095 27.674,1096 13.65,1097 2.687,1098 9.761,1099 24.236,1100 4.126,1101 15.144,1102 18.848,1103 8.117,1104 30.125,1105 14.792,1106 2.666,1107 8.677,1108 26.118,1109 3.483,1110 16.277,1111 20.336,1112 8.721,1113 32.556,1114 15.9,1115 2.461,1116 7.752,1117 28.006,1118 3.329,1119 17.441,1120 21.869,1121 9.396,1122 35.008,1123 17.038,1124 2.448,1125 7.331,1126 29.9,1127 3.304,1128 18.593,1129 23.383,1130 10.024,1131 37.455,1132 18.164,1133 40152,1134 65174,1135 35.312,1136 53.972,1137 79.517,1138 82.6,1139 81.551,1140 78.855,1141 78.881,1142 99.896,1143 13.838,1144 233.627,1145 75.807,1146 5.736,1147 5.826,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.353,1154 5.214,1155 21.652,1156 1.529,1157 1.588,1158 1.568,1159 1.516,1160 1.517,1161 1.921,1162 0.266,1163 4.493,1164 1.458,1165 4.161,1166 4.197,1167 4.132,1168 4.049,1169 7.433,1170 4.065,1171 3.984,1172 4.004,1173 3.953,1174 3.886,1175 7.427,1176 3.898,1177 3.923,1178 3.972,1179 3.837,1180 3.765,1181 7.425,1182 3.774,1183 3.863,1184 3.905,1185 3.804,1186 3.734,1187 5.03,1188 3.744,1189 3.762,1190 3.823,1191 3.64,1192 3.601,1193 4.908,1194 3.601,1195 3.549,1196 3.578,1197 3.504,1198 3.403,1199 4.846,1200 3.417,1201 3.445,1202 3.503,1203 3.359,1204 3.252,1205 4.651,1206 3.272,1207 3.33,1208 3.373,1209 3.264,1210 3.08,1211 4.441,1212 3.125,1213 0.091,1214 0.074,1215 0.135,1216 0.082,1217 0.064,1218 4.736,1219 0.091,1220 3.826,1221 0.037,1222 6.998,1223 0.23,1224 4.283,1225 0.062,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.214,1231 1.939,1232 1.905,1233 2.066,1234 2.083,1235 1.421,1236 2.078,1237 1.883,1238 1.862,1239 1.967,1240 2.006,1241 1.179,1242 1.993,1243 1.816,1244 1.777,1245 1.928,1246 1.945,1247 1.102,1248 1.942,1249 1.781,1250 1.741,1251 1.905,1252 1.943,1253 1.078,1254 1.935,1255 1.652,1256 1.61,1257 1.829,1258 1.83,1259 0.958,1260 1.822,1261 1.58,1262 1.53,1263 1.794,1264 1.796,1265 0.944,1266 1.805,1267 1.454,1268 1.386,1269 1.679,1270 1.71,1271 0.886,1272 1.704,1273 1.367,1274 1.32,1275 1.559,1276 1.58,1277 0.825,1278 1.565,1279 4.654,1281 6.004,1282 3.434,1283 7.54,1284 5.861,1285 9.158,1286 7.997,1287 10.824,1289 3.631,1295 5.351,1296 5.466,1297 11.461,1299 0.136,1300 4.256,1305 52.099,1306 129.768,1307 324.837,1308 429.489,1309 466.508,1310 478.018,1311 478.018,1312 93.182,1313 9.943,1314 134.83,1315 134.83,1316 39,1317 13.257,1318 4.755,1319 4,1320 64.528,1321 277,1322 316,1323 0.109,1324 311.714,1325 550.63,1326 752.342,1327 411007,1329 31.786,1330 0.691,1331 0.559,1332 31.786,1333 25.733,1334 22.373,1335 0.43,1336 0.297,1337 15.177,1338 21.335,1339 14.864,1340 12.224,1341 22.373,1342 15.446,1343 20.465,1344 0.273,1345 0.159,1346 20.465,1347 11.888,1348 18.064,1349 0.174,1350 0.086,1351 18.064,1352 8.971,1353 15.533,1354 0.109,1355 0.046,1356 15.533,1357 6.577,1358 12.491,1359 0.07,1360 0.025,1361 12.491,1362 4.434,1363 0.176,1364 141.479,1365 0.168,1366 40.693,1367 0.287,1368 254,1369 757.569,1370 281.967,1371 720.286,1372 988.45,1373 676,1374 306,1375 732.353,1376 335.801,1377 737.394,1378 1086.74,1379 693,1380 5.636}
{0 CHEMBL1091703,1 1.601,2 19.255,3 2.362,4 5.58,5 177.086,6 7.959,7 0.528,8 4.49,9 4.605,10 4.117,11 4.03,12 5.641,13 4.033,14 5.019,15 5.179,16 4.491,17 4.439,18 6.15,19 4.423,20 5.282,21 5.471,22 4.554,23 4.577,24 6.39,25 4.534,26 5.364,27 5.58,28 4.508,29 4.571,30 6.448,31 4.513,32 5.329,33 5.531,34 4.514,35 4.561,36 6.474,37 4.504,38 5.362,39 5.579,40 4.515,41 4.583,42 6.433,43 4.52,44 5.328,45 5.53,46 4.535,47 4.577,48 6.501,49 4.518,50 5.353,51 5.572,52 4.447,53 4.56,54 6.392,55 4.487,56 0.091,57 1.23,58 14.136,59 6.533,60 12.696,61 8.1,62 0.457,63 1.989,64 27.503,65 10.898,66 40.154,67 14.032,68 0.609,69 2.406,70 39.399,71 14.898,72 73.146,73 19.326,74 0.756,75 2.512,76 46.118,77 16.166,78 93.244,79 21.206,80 0.874,81 2.409,82 43.614,83 15.884,84 98.855,85 20.654,86 0.806,87 2.459,88 46.397,89 16.765,90 91.582,91 22.332,92 0.897,93 2.402,94 43.465,95 16.201,96 111.159,97 21.442,98 0.675,99 2.418,100 46.279,101 16.93,102 90.614,103 22.299,104 17,105 75,106 0.239,107 0.612,108 0.797,109 0.868,110 0.888,111 0.892,112 3.874,113 0.869,114 -2.48,115 -2.51,116 -2.46,119 44.3,121 2,122 1,124 1,125 3,135 1,138 1,142 8,143 4,144 4,145 5,151 1,157 1,158 1,159 1,161 1,172 9,174 1,175 16,178 3,179 1,180 5,183 6,186 1,187 13,190 1,192 6,195 4,198 2,199 10,202 1,204 4,207 9,211 3,212 6,215 4,217 3,220 11,223 4,224 8,229 1,232 11,236 4,237 14,240 2,242 3,245 9,250 12,255 3,258 4,262 3,263 10,266 3,268 2,271 5,275 5808,276 32.239,277 32.239,278 32.239,279 32.239,280 32.239,281 28.322,282 40.645,283 19.026,284 32.845,285 26.209,286 26.209,287 26.209,288 26.209,289 26.209,290 20.155,291 57.722,292 9.109,293 27.146,294 4.703,295 2.209,296 0.976,297 0.5,298 0.364,299 0.339,300 4.594,306 2012,307 4.243,310 220.284,311 769.302,314 414.054,318 3.315,319 50.774,322 0.5,323 0.5,324 0.67,325 0.4,326 0.5,327 0.5,328 0.5,329 0.51,330 102,331 905,332 4.736,333 3.731,334 6.998,335 4.283,336 3.315,337 4.706,338 1.909,339 11.949,340 3.213,341 4.514,342 3.708,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.005,351 3.56,352 6.103,353 3.826,354 2.837,355 3.483,356 0.86,357 8.825,358 2.812,359 3.993,360 3.372,361 5.979,362 3.636,363 2.673,364 3.45,365 0.8,366 8.394,367 2.565,368 3.896,369 2.89,370 5.673,371 3.551,372 2.601,373 3.327,374 0.561,375 7.752,376 2.483,377 3.862,378 2.776,379 5.529,380 3.466,381 2.482,382 3.263,383 0.247,384 7.329,385 2.424,386 3.813,387 2.726,388 5.37,389 3.422,390 2.453,391 3.079,393 6.956,394 2.367,395 3.602,396 2.556,397 5.337,398 3.165,399 2.197,400 2.927,402 6.743,403 2.117,404 3.387,405 2.473,406 5.238,407 2.958,408 1.973,409 2.663,411 6.114,412 1.931,413 3.229,414 2.223,415 4.894,416 2.815,417 1.85,418 2.448,420 5.244,421 1.778,422 3.128,423 2.146,424 4.748,425 2.793,426 1.819,427 2.241,428 5.059,429 1.758,430 3.029,431 1.881,432 4.608,433 2.562,434 1.611,435 2.162,436 4.721,437 1.521,438 2.925,439 1.782,440 4.306,441 2.512,442 1.562,443 2.086,445 3.925,446 1.481,447 2.847,448 1.645,449 4.043,450 2.349,451 1.385,452 1.98,454 3.22,455 1.33,456 2.704,457 1.519,458 3.727,459 2.338,460 1.363,461 1.772,463 2.992,464 1.321,465 22.033,466 0.469,467 1.092,468 0.023,469 66.25,470 1.41,471 34,472 0.723,473 32.25,474 0.686,475 41.651,476 0.886,477 48.767,478 0.617,479 59.061,480 1.257,481 13.098,482 0.279,483 9.825,484 0.209,485 0.068,487 0.354,493 0.772,494 1.363,495 0.716,496 1.053,497 0.545,498 0.897,499 0.793,500 1.056,501 0.848,502 0.952,503 0.561,504 0.904,505 1.006,506 1.144,507 0.992,508 1.084,509 0.911,510 1.041,511 1.163,512 0.972,513 1.038,514 0.988,515 1.153,516 0.988,517 1.068,518 0.969,519 1.038,520 1.028,521 1.234,522 1.033,523 0.99,524 0.942,525 0.949,526 0.968,527 1.047,528 0.956,529 0.867,530 1.008,531 0.951,532 1.032,533 0.766,534 1.014,535 1.125,536 1.038,537 1.016,538 1.031,539 1.04,540 1.017,541 8.5,542 0.269,543 4.889,544 3.931,545 1.991,546 1.946,547 1.195,548 0.875,549 0.627,550 0.564,551 47859,552 130234,553 2.164,554 40.5,556 18,557 1,558 5,559 3,560 1,561 4,564 1.836,565 2.058,566 4.16,567 0.698,573 126.474,574 1.601,575 4.094,576 5.328,577 5.804,578 5.94,579 5.965,580 3.681,581 5.214,582 5.516,583 4.373,584 4727.68,585 9.787,586 96042.2,591 497.999,592 1.291,593 5.501,594 0.16,595 0.005,596 0.065,597 0.051,598 0.028,599 0.027,600 0.016,601 0.012,602 0.009,603 0.009,604 0.383,605 0.33,606 0.63,607 0.421,608 282.376,609 -0.063,610 -0.203,611 0.054,612 -0.058,613 -0.027,614 0.006,615 0.045,616 0.066,617 0.012,618 0.017,619 0.054,620 0.014,621 -0.046,622 -0.119,623 -0.056,624 -0.095,625 -0.02,626 -0.078,627 -0.115,628 0.016,629 -0.041,630 -0.008,631 -0.072,632 -0.008,633 0.023,634 0.017,635 -0.054,636 -0.039,637 -0.04,638 -0.059,639 0.015,640 0.019,641 0.049,642 0.033,643 -0.016,644 0.046,645 0.147,646 -0.034,647 0.025,648 -0.029,649 0.168,650 -0.023,651 -0.117,652 -0.097,653 -0.013,654 -0.02,655 -0.075,656 -0.004,657 2.12,658 6.499,659 0.766,660 85.56,661 1.009,662 1.124,663 1.253,664 1.57,665 0.684,666 3.989,667 4.331,668 4.635,669 4.934,670 5.176,671 5.278,672 5.501,673 5.687,674 5.832,675 5.999,676 10.717,677 0.663,678 628.75,679 3.989,680 5.549,681 6.415,682 7.305,683 8.187,684 9.084,685 9.977,686 10.879,687 11.779,688 12.686,689 10.1,695 1,696 3,697 1,699 3,703 2,704 14,705 3,709 7,710 1,711 28,716 1,726 1,729 1,731 79,733 32,734 1,735 53,737 85,738 35,739 23,740 3,741 3,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 28,762 7,763 1,766 4,771 3,773 1,775 4,781 32,782 11,783 3,784 12,790 8,794 0.714,795 4,805 3,807 1,811 2,812 5,815 2,826 1,831 2,840 5,844 1,848 47,854 5,855 3,856 1,858 1,859 1,870 5.1,873 3,875 1,877 22.833,878 14.5,879 10.167,880 4.679,881 5.735,882 1.577,883 1.024,884 8.703,885 15.678,886 4.277,887 4.881,888 5.474,889 6.073,890 6.612,891 6.893,892 7.362,893 7.8,894 8.136,895 8.576,896 1,897 77,898 17.446,900 7.641,901 7.787,902 33.044,904 27.634,905 2.287,906 107.5,910 341.362,911 206.069,912 109.412,914 86.435,917 206.069,918 427.797,919 109.412,920 8.396,921 65.418,922 94.334,923 201.444,924 86.904,925 16.047,926 270.735,928 341.362,929 315.482,930 86.435,933 294.278,934 133.519,937 114.27,938 136.135,939 65.076,941 341.362,942 195.847,943 206.069,946 341.362,947 58.102,948 152.991,949 54.032,950 136.791,951 341.362,952 195.847,953 206.069,955 0.584,956 0.344,957 0.19,958 0.103,959 37,960 16,961 0.082,962 7,963 2,964 1.111,965 5.656,966 508.361,967 0.111,968 36,969 257.066,974 30.606,975 13.364,976 6.614,977 1.684,978 193.948,979 24.536,980 12.715,984 4.538,985 1.93,986 54.032,987 743.278,988 71,993 38.887,995 1.747,997 -0.493,999 79.727,1000 88.806,1001 0.254,1002 0.65,1003 0.845,1004 0.921,1005 0.942,1006 0.946,1007 5.525,1008 2.197,1009 6.399,1010 6.956,1011 5.017,1012 5.57,1013 2.697,1014 7.223,1015 4.952,1016 6.732,1017 1.973,1018 7.962,1019 6.743,1020 4.575,1021 5.345,1022 2.029,1023 8.132,1024 4.499,1025 8.04,1026 1.85,1027 9.625,1028 6.114,1029 6.621,1030 7.762,1031 3.411,1032 11.271,1033 6.498,1034 9.384,1035 1.819,1036 11.35,1037 5.244,1038 7.022,1039 8.396,1040 3.41,1041 13.063,1042 6.89,1043 10.762,1044 1.611,1045 13.115,1046 5.059,1047 8.522,1048 10.283,1049 4.417,1050 15.722,1051 8.348,1052 12.165,1053 1.562,1054 14.909,1055 4.721,1056 9.323,1057 11.354,1058 4.718,1059 17.897,1060 9.136,1061 13.589,1062 1.385,1063 16.726,1064 3.925,1065 10.605,1066 13.021,1067 5.544,1068 20.405,1069 10.383,1070 3.315,1071 1.363,1072 18.561,1073 3.22,1074 11.599,1075 14.323,1076 5.998,1077 22.744,1078 11.358,1079 3.172,1080 11.949,1081 20.411,1082 2.992,1083 12.798,1084 15.9,1085 6.731,1086 25.209,1087 12.527,1088 2.837,1089 10.802,1090 22.273,1091 4.706,1092 13.885,1093 17.32,1094 7.266,1095 27.617,1096 13.59,1097 2.673,1098 8.825,1099 24.145,1100 4.126,1101 15.057,1102 18.864,1103 7.951,1104 30.074,1105 14.734,1106 2.601,1107 8.394,1108 26.026,1109 3.483,1110 16.188,1111 20.344,1112 8.531,1113 32.512,1114 15.838,1115 2.482,1116 7.752,1117 27.915,1118 3.45,1119 17.355,1120 21.878,1121 9.193,1122 34.97,1123 16.977,1124 2.453,1125 7.329,1126 29.81,1127 3.327,1128 18.508,1129 23.388,1130 9.799,1131 37.422,1132 18.102,1133 43671,1134 72302,1135 36.293,1136 54,1137 80.965,1138 83.26,1139 81.624,1140 79.916,1141 79.908,1142 105.103,1143 12.067,1144 231.541,1145 77.281,1146 5.736,1147 5.731,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.31,1153 19.35,1154 5.213,1155 19.333,1156 1.528,1157 1.571,1158 1.54,1159 1.508,1160 1.508,1161 1.983,1162 0.228,1163 4.369,1164 1.458,1165 4.16,1166 4.196,1167 4.132,1168 4.049,1169 7.434,1170 4.065,1171 3.984,1172 4.004,1173 3.953,1174 3.886,1175 7.428,1176 3.899,1177 3.913,1178 3.958,1179 3.842,1180 3.793,1181 7.426,1182 3.798,1183 3.863,1184 3.905,1185 3.806,1186 3.74,1187 5.031,1188 3.75,1189 3.822,1190 3.874,1191 3.727,1192 3.691,1193 4.913,1194 3.692,1195 3.553,1196 3.584,1197 3.508,1198 3.407,1199 4.892,1200 3.422,1201 3.476,1202 3.533,1203 3.4,1204 3.262,1205 4.845,1206 3.286,1207 3.364,1208 3.432,1209 3.282,1210 3.133,1211 4.442,1212 3.156,1213 0.089,1214 0.07,1215 0.132,1216 0.081,1217 0.063,1218 4.736,1219 0.089,1220 3.731,1221 0.036,1222 6.998,1223 0.225,1224 4.283,1225 0.061,1226 3.315,1227 4.706,1228 1.909,1229 11.949,1230 3.213,1231 1.94,1232 1.906,1233 2.068,1234 2.085,1235 1.418,1236 2.08,1237 1.883,1238 1.862,1239 1.975,1240 2.006,1241 1.103,1242 1.993,1243 1.856,1244 1.817,1245 1.967,1246 1.993,1247 1.082,1248 1.989,1249 1.816,1250 1.777,1251 1.927,1252 1.943,1253 1.068,1254 1.941,1255 1.767,1256 1.725,1257 1.9,1258 1.925,1259 0.944,1260 1.921,1261 1.652,1262 1.61,1263 1.794,1264 1.826,1265 0.886,1266 1.819,1267 1.385,1268 1.341,1269 1.567,1270 1.62,1271 0.825,1272 1.599,1273 1.302,1274 1.236,1275 1.531,1276 1.572,1277 0.668,1278 1.548,1279 4.673,1281 6.009,1282 3.045,1283 7.534,1284 5.533,1285 9.144,1286 7.719,1287 10.801,1289 1.917,1295 3.322,1296 8.508,1297 6.001,1299 -0.068,1300 2.275,1305 52.352,1306 126.474,1307 323.463,1308 420.879,1309 458.489,1310 469.244,1311 471.244,1312 91.813,1313 9.943,1314 147.28,1315 147.28,1316 40,1317 13.205,1318 5.044,1319 4.248,1320 66.659,1321 294,1322 337,1323 0.106,1324 315.322,1325 551.32,1326 761.146,1327 425030,1329 32.329,1330 0.688,1331 0.546,1332 32.329,1333 25.642,1334 22.924,1335 0.433,1336 0.29,1337 15.113,1338 21.994,1339 14.825,1340 12.235,1341 22.924,1342 15.347,1343 20.817,1344 0.278,1345 0.154,1346 20.817,1347 11.536,1348 17.978,1349 0.176,1350 0.082,1351 17.978,1352 8.392,1353 15.44,1354 0.112,1355 0.044,1356 15.44,1357 6.049,1358 12.701,1359 0.072,1360 0.024,1361 12.701,1362 4.191,1363 0.171,1364 144.051,1365 0.166,1366 41.615,1367 0.276,1368 256,1369 762.166,1370 281.782,1371 736.446,1372 1012.54,1373 690,1374 305,1375 753.703,1376 332.089,1377 761.646,1378 1116.01,1379 717,1380 5.394}
{0 CHEMBL1091704,1 1.588,2 19.313,3 2.568,4 6.596,5 181.983,6 7.839,7 0.519,8 4.522,9 4.638,10 4.139,11 4.057,12 5.661,13 4.057,14 5.058,15 5.227,16 4.515,17 4.467,18 6.163,19 4.45,20 5.312,21 5.496,22 4.593,23 4.62,24 6.419,25 4.576,26 5.432,27 5.65,28 4.557,29 4.635,30 6.505,31 4.574,32 5.397,33 5.594,34 4.571,35 4.647,36 6.525,37 4.582,38 5.486,39 5.72,40 4.553,41 4.67,42 6.51,43 4.588,44 5.419,45 5.642,46 4.553,47 4.626,48 6.542,49 4.554,50 5.379,51 5.6,52 4.471,53 4.589,54 6.406,55 4.514,56 0.071,57 1.271,58 15.093,59 6.865,60 12.153,61 8.685,62 0.482,63 2.063,64 29.811,65 11.269,66 37.95,67 14.822,68 0.554,69 2.488,70 40.583,71 15.491,72 67.576,73 20.269,74 0.806,75 2.658,76 50.334,77 17.46,78 102.544,79 23.078,80 0.832,81 2.594,82 46.301,83 17.33,84 96.062,85 22.73,86 0.857,87 2.744,88 54.357,89 19.277,90 100.735,91 26.452,92 0.962,93 2.585,94 50.004,95 17.865,96 119.286,97 24.4,98 0.649,99 2.478,100 47.962,101 17.437,102 88.704,103 23.248,104 26,105 77,106 0.236,107 0.597,108 0.786,109 0.865,110 0.884,111 0.888,112 3.895,113 0.874,114 -2.66,115 -2.68,116 -2.61,119 43.9,121 2,122 1,124 2,125 3,135 1,138 1,142 8,143 4,144 4,145 5,151 1,157 1,158 1,159 1,161 1,172 9,174 2,175 18,178 2,179 1,180 3,183 6,186 1,187 16,190 1,192 3,195 4,198 3,199 11,204 3,207 9,211 4,212 6,215 3,217 3,220 11,223 4,224 8,229 1,232 11,236 4,237 16,240 2,242 1,245 9,250 13,255 2,258 4,262 5,263 11,266 1,268 1,271 5,275 6056,276 32.739,277 32.739,278 32.739,279 32.739,280 32.739,281 28.846,282 41.594,283 19.219,284 33.394,285 26.683,286 26.683,287 26.683,288 26.683,289 26.683,290 20.658,291 58.844,292 9.191,293 27.693,294 4.769,295 2.341,296 1.072,297 0.54,298 0.409,299 0.384,300 4.612,306 2055,307 4.472,310 226.409,311 790.279,314 425.705,318 3.31,319 50.693,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 104,331 927,332 4.736,333 3.814,334 6.998,335 4.283,336 3.315,337 4.706,338 1.943,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.121,351 3.56,352 6.344,353 3.941,354 2.959,355 3.483,356 0.86,357 9.454,358 2.906,359 3.996,360 3.373,361 6.059,362 3.638,363 2.677,364 3.475,365 0.8,366 8.656,367 2.566,368 3.905,369 2.897,370 5.673,371 3.596,372 2.655,373 3.328,374 0.736,375 7.752,376 2.513,377 3.863,378 2.779,379 5.53,380 3.467,381 2.483,382 3.272,383 0.247,384 7.329,385 2.425,386 3.83,387 2.776,388 5.435,389 3.422,390 2.453,391 3.189,392 0.079,393 7.174,394 2.369,395 3.602,396 2.556,397 5.366,398 3.165,399 2.197,400 2.927,402 6.744,403 2.117,404 3.387,405 2.473,406 5.239,407 2.988,408 2.028,409 2.663,411 6.132,412 1.941,413 3.23,414 2.232,415 4.975,416 2.938,417 1.952,418 2.448,420 5.555,421 1.911,422 3.202,423 2.181,424 4.846,425 2.799,426 1.822,427 2.301,428 5.123,429 1.764,430 3.031,431 1.984,432 4.734,433 2.644,434 1.706,435 2.172,436 4.95,437 1.596,438 2.964,439 1.867,440 4.607,441 2.562,442 1.61,443 2.101,445 4.7,446 1.521,447 2.847,448 1.775,449 4.172,450 2.383,451 1.418,452 1.98,454 3.326,455 1.364,456 2.78,457 1.519,458 3.727,459 2.348,460 1.385,461 1.842,463 3.04,464 1.33,465 22.533,466 0.469,467 1.181,468 0.025,469 67,470 1.396,471 34,472 0.708,473 33,474 0.688,475 44.091,476 0.919,477 50.067,478 0.611,479 60.946,480 1.27,481 13.261,482 0.276,483 10.074,484 0.21,485 0.089,487 0.364,493 0.758,494 1.42,495 0.722,496 1.095,497 0.541,498 0.929,499 0.831,500 1.006,501 0.837,502 0.888,503 0.564,504 0.851,505 0.995,506 1.179,507 0.997,508 1.123,509 0.893,510 1.068,511 1.224,512 0.938,513 1.032,514 0.949,515 1.272,516 0.956,517 1.027,518 1.04,519 1.074,520 1.11,521 1.189,522 1.11,523 0.925,524 0.939,525 0.944,526 0.971,527 0.972,528 0.964,529 0.843,530 0.948,531 0.915,532 0.966,533 0.725,534 0.956,535 1.123,536 1.026,537 0.992,538 1.009,539 1.039,540 0.991,541 9,542 0.318,543 5.111,544 4.431,545 2.311,546 2.001,547 1.275,548 0.906,549 0.652,550 0.618,551 49926,552 133731,553 2.148,554 41.5,556 21,557 1,558 5,559 2,560 1,561 4,564 1.841,565 2.028,566 4.171,567 0.106,573 130.228,574 1.588,575 4.017,576 5.286,577 5.818,578 5.949,579 5.973,580 3.683,581 5.293,582 5.547,583 4.38,584 4940.23,585 9.85,586 101456,591 521.319,592 1.349,593 5.525,594 0.167,595 0.005,596 0.066,597 0.055,598 0.03,599 0.026,600 0.017,601 0.012,602 0.009,603 0.009,604 0.398,605 0.33,606 0.63,607 0.456,608 289.743,609 -0.045,610 -0.253,611 0.062,612 -0.088,613 -0.022,614 -0.011,615 0.035,616 0.125,617 0.043,618 0.078,619 0.05,620 0.07,621 -0.037,622 -0.14,623 -0.07,624 -0.131,625 -0.004,626 -0.108,627 -0.129,628 0.045,629 -0.031,630 0.033,631 -0.09,632 0.022,633 0.026,634 -0.044,635 -0.11,636 -0.114,637 -0.038,638 -0.135,639 0.032,640 0.01,641 0.066,642 0.03,644 0.051,645 0.153,646 0.013,647 0.085,648 0.034,649 0.177,650 0.048,651 -0.111,652 -0.079,653 0.006,654 0.001,655 -0.069,656 0.018,657 2.119,658 6.528,659 0.75,660 86.201,661 1.007,662 1.125,663 1.432,664 2.051,665 0.68,666 4.007,667 4.357,668 4.663,669 4.963,670 5.198,671 5.298,672 5.525,673 5.714,674 5.849,675 6.023,676 10.771,677 0.657,678 642.78,679 4.007,680 5.572,681 6.441,682 7.334,683 8.219,684 9.118,685 10.012,686 10.916,687 11.816,688 12.724,689 9.8,695 1,696 3,697 1,699 3,703 2,704 14,705 3,709 7,710 1,711 28,716 1,726 1,729 1,731 82,733 32,734 1,735 54,737 88,738 36,739 23,740 3,741 3,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 28,762 8,763 1,766 4,771 3,773 1,775 4,781 34,782 11,783 2,784 12,790 8,794 0.714,795 4,805 3,807 1,811 2,812 5,815 2,827 1,831 2,840 5,844 2,848 48,854 5,855 2,856 1,858 1,859 2,870 4.9,873 3,875 1,877 23.667,878 15.45,879 10.361,880 4.842,881 5.713,882 1.572,883 1.016,884 8.938,885 15.696,886 4.29,887 4.896,888 5.49,889 6.084,890 6.621,891 6.901,892 7.371,893 7.81,894 8.14,895 8.582,896 1,897 80,898 17.826,900 7.787,901 7.771,902 33.826,904 28.253,905 2.271,906 109,910 376.675,911 214.466,912 94.526,914 86.435,917 214.466,918 463.11,919 94.526,920 16.793,921 50.532,922 94.334,923 201.444,924 86.904,925 16.047,926 306.049,928 376.675,929 308.992,930 86.435,933 329.591,934 133.519,937 99.383,938 144.532,939 65.076,941 376.675,942 180.96,943 214.466,946 376.675,947 58.102,948 164.511,949 36.022,950 136.791,951 376.675,952 180.96,953 214.466,955 0.586,956 0.348,957 0.191,958 0.103,959 38,960 17,961 0.08,962 7,963 2,964 1.111,965 5.672,966 525.664,967 0.111,968 36,969 262.078,974 31.555,975 13.595,976 6.71,977 1.69,978 179.061,979 24.664,980 12.779,984 4.584,985 1.935,986 36.022,987 772.101,988 72,993 39.299,995 1.752,997 -0.401,999 82.61,1000 92.222,1001 0.25,1002 0.632,1003 0.831,1004 0.915,1005 0.936,1006 0.94,1007 5.545,1008 2.197,1009 6.431,1010 7.174,1011 5.043,1012 5.585,1013 2.739,1014 7.265,1015 4.975,1016 6.754,1017 2.028,1018 8.002,1019 6.744,1020 4.635,1021 5.373,1022 2.078,1023 8.187,1024 4.546,1025 8.065,1026 1.952,1027 9.673,1028 6.132,1029 6.658,1030 7.775,1031 3.456,1032 11.328,1033 6.528,1034 9.41,1035 1.822,1036 11.403,1037 5.555,1038 7.083,1039 8.416,1040 3.484,1041 13.119,1042 6.937,1043 10.789,1044 1.706,1045 13.173,1046 5.123,1047 8.569,1048 10.295,1049 4.486,1050 15.782,1051 8.386,1052 12.194,1053 1.61,1054 14.972,1055 4.95,1056 9.384,1057 11.368,1058 4.82,1059 17.949,1060 9.184,1061 13.619,1062 1.418,1063 16.792,1064 4.7,1065 10.66,1066 13.031,1067 5.647,1068 20.458,1069 10.428,1070 3.315,1071 1.385,1072 18.629,1073 3.326,1074 11.662,1075 14.332,1076 6.132,1077 22.788,1078 11.409,1079 3.172,1080 11.949,1081 20.48,1082 3.04,1083 12.858,1084 15.907,1085 6.872,1086 25.25,1087 12.576,1088 2.959,1089 10.802,1090 22.343,1091 4.706,1092 13.947,1093 17.326,1094 7.435,1095 27.651,1096 13.642,1097 2.677,1098 9.454,1099 24.216,1100 4.126,1101 15.117,1102 18.869,1103 8.132,1104 30.104,1105 14.784,1106 2.655,1107 8.656,1108 26.096,1109 3.483,1110 16.247,1111 20.347,1112 8.737,1113 32.537,1114 15.89,1115 2.483,1116 7.752,1117 27.984,1118 3.475,1119 17.412,1120 21.881,1121 9.414,1122 34.991,1123 17.027,1124 2.453,1125 7.329,1126 29.878,1127 3.328,1128 18.564,1129 23.39,1130 10.043,1131 37.44,1132 18.152,1133 45693,1134 75075,1135 36.698,1136 55.762,1137 82.917,1138 85.001,1139 83.896,1140 81.675,1141 81.618,1142 106.789,1143 12.642,1144 238.37,1145 78.807,1146 5.736,1147 5.814,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.352,1153 19.352,1154 5.213,1155 21.966,1156 1.536,1157 1.574,1158 1.554,1159 1.512,1160 1.511,1161 1.978,1162 0.234,1163 4.414,1164 1.459,1165 4.161,1166 4.197,1167 4.132,1168 4.05,1169 7.433,1170 4.066,1171 3.985,1172 4.005,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.923,1178 3.968,1179 3.853,1180 3.8,1181 7.425,1182 3.806,1183 3.863,1184 3.906,1185 3.807,1186 3.74,1187 5.031,1188 3.75,1189 3.822,1190 3.874,1191 3.73,1192 3.693,1193 4.912,1194 3.694,1195 3.559,1196 3.605,1197 3.51,1198 3.409,1199 4.89,1200 3.424,1201 3.514,1202 3.565,1203 3.431,1204 3.283,1205 4.845,1206 3.309,1207 3.405,1208 3.474,1209 3.303,1210 3.21,1211 4.442,1212 3.221,1213 0.088,1214 0.071,1215 0.13,1216 0.079,1217 0.061,1218 4.736,1219 0.087,1220 3.814,1221 0.036,1222 6.998,1223 0.221,1224 4.283,1225 0.06,1226 3.315,1227 4.706,1228 1.943,1229 11.949,1230 3.213,1231 1.941,1232 1.906,1233 2.069,1234 2.087,1235 1.421,1236 2.082,1237 1.884,1238 1.863,1239 1.979,1240 2.006,1241 1.116,1242 1.996,1243 1.861,1244 1.823,1245 1.967,1246 2,1247 1.091,1248 1.992,1249 1.816,1250 1.777,1251 1.927,1252 1.943,1253 1.072,1254 1.941,1255 1.768,1256 1.727,1257 1.9,1258 1.925,1259 0.944,1260 1.922,1261 1.652,1262 1.61,1263 1.794,1264 1.827,1265 0.886,1266 1.82,1267 1.433,1268 1.366,1269 1.684,1270 1.693,1271 0.825,1272 1.692,1273 1.364,1274 1.312,1275 1.559,1276 1.58,1277 0.757,1278 1.565,1279 4.691,1281 6.033,1282 3.045,1283 7.564,1284 5.533,1285 9.178,1286 7.719,1287 10.838,1289 3.769,1295 3.426,1296 5.466,1297 6.013,1299 -0.054,1300 4.077,1305 53.879,1306 130.228,1307 329.355,1308 433.445,1309 477.055,1310 487.809,1311 489.809,1312 95.811,1313 9.983,1314 138.49,1315 138.49,1316 40,1317 13.243,1318 5.044,1319 4.248,1320 68.791,1321 303,1322 342,1323 0.106,1324 324.915,1325 568.62,1326 784.551,1327 442540,1329 33.2,1330 0.692,1331 0.554,1332 33.2,1333 26.589,1334 23.335,1335 0.432,1336 0.291,1337 15.484,1338 22.371,1339 15.126,1340 12.514,1341 23.335,1342 15.73,1343 21.334,1344 0.277,1345 0.156,1346 21.334,1347 12.012,1348 18.489,1349 0.176,1350 0.083,1351 18.489,1352 8.7,1353 15.814,1354 0.111,1355 0.045,1356 15.814,1357 6.353,1358 12.912,1359 0.072,1360 0.024,1361 12.912,1362 4.366,1363 0.172,1364 146.72,1365 0.165,1366 42.225,1367 0.277,1368 262,1369 773.479,1370 288.143,1371 747.451,1372 1027.76,1373 700,1374 313,1375 765.478,1376 341.254,1377 775.562,1378 1136.11,1379 728,1380 5.987}
{0 CHEMBL1091705,1 1.588,2 19.313,3 2.568,4 6.596,5 181.983,6 7.839,7 0.519,8 4.522,9 4.638,10 4.139,11 4.057,12 5.661,13 4.057,14 5.058,15 5.227,16 4.515,17 4.467,18 6.163,19 4.45,20 5.312,21 5.496,22 4.591,23 4.623,24 6.417,25 4.577,26 5.43,27 5.645,28 4.557,29 4.64,30 6.501,31 4.577,32 5.411,33 5.614,34 4.57,35 4.652,36 6.53,37 4.585,38 5.48,39 5.71,40 4.553,41 4.674,42 6.498,43 4.591,44 5.433,45 5.661,46 4.554,47 4.627,48 6.563,49 4.555,50 5.367,51 5.584,52 4.47,53 4.592,54 6.389,55 4.516,56 0.071,57 1.271,58 15.093,59 6.865,60 12.153,61 8.685,62 0.482,63 2.063,64 29.811,65 11.269,66 38.129,67 14.822,68 0.562,69 2.486,70 40.62,71 15.496,72 67.764,73 20.256,74 0.753,75 2.649,76 49.897,77 17.634,78 100.062,79 23.285,80 0.893,81 2.622,82 47.525,83 17.516,84 99.142,85 23.05,86 0.766,87 2.728,88 53.474,89 19.486,90 92.121,91 26.589,92 1.06,93 2.608,94 51.407,95 17.972,96 131.58,97 24.631,98 0.592,99 2.457,100 46.842,101 17.524,102 81.513,103 23.336,104 26,105 77,106 0.236,107 0.597,108 0.78,109 0.855,110 0.873,111 0.873,112 3.895,113 0.874,114 -2.66,115 -2.68,116 -2.61,119 43.9,121 2,122 1,124 2,125 3,135 1,138 1,142 8,143 4,144 4,145 5,151 1,157 1,158 1,159 1,161 1,172 9,174 2,175 18,178 2,179 1,180 3,183 6,186 1,187 17,190 1,192 3,195 4,198 2,199 10,204 3,207 9,211 5,212 7,215 3,217 3,220 12,223 3,224 6,229 1,232 12,236 5,237 15,240 2,242 1,245 7,250 16,255 2,258 4,262 4,263 10,266 1,268 1,271 5,275 6056,276 32.739,277 32.739,278 32.739,279 32.739,280 32.739,281 28.846,282 41.594,283 19.219,284 33.403,285 26.683,286 26.683,287 26.683,288 26.683,289 26.683,290 20.658,291 58.844,292 9.191,293 27.698,294 4.769,295 2.341,296 1.111,297 0.604,298 0.482,299 0.482,300 4.612,306 2055,307 4.472,310 226.409,311 790.279,314 425.705,318 3.31,319 50.513,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 104,331 927,332 4.736,333 3.814,334 6.998,335 4.283,336 3.315,337 4.706,338 1.943,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.121,351 3.56,352 6.344,353 3.942,354 2.959,355 3.483,356 0.86,357 9.454,358 2.906,359 3.996,360 3.373,361 6.059,362 3.638,363 2.677,364 3.475,365 0.8,366 8.656,367 2.566,368 3.905,369 2.897,370 5.673,371 3.597,372 2.655,373 3.328,374 0.736,375 7.752,376 2.518,377 3.863,378 2.779,379 5.53,380 3.469,381 2.483,382 3.272,383 0.247,384 7.329,385 2.428,386 3.83,387 2.776,388 5.435,389 3.422,390 2.453,391 3.189,392 0.079,393 7.174,394 2.37,395 3.602,396 2.556,397 5.366,398 3.165,399 2.197,400 2.927,402 6.744,403 2.117,404 3.387,405 2.473,406 5.239,407 2.988,408 2.028,409 2.663,411 6.132,412 1.941,413 3.23,414 2.232,415 4.975,416 2.938,417 1.952,418 2.448,420 5.555,421 1.911,422 3.202,423 2.181,424 4.846,425 2.799,426 1.822,427 2.301,428 5.123,429 1.764,430 3.031,431 1.984,432 4.734,433 2.643,434 1.706,435 2.172,436 4.95,437 1.593,438 2.964,439 1.867,440 4.607,441 2.562,442 1.61,443 2.101,445 4.7,446 1.521,447 2.847,448 1.775,449 4.172,450 2.359,451 1.418,452 1.98,454 3.326,455 1.331,456 2.78,457 1.519,458 3.727,459 2.348,460 1.385,461 1.842,463 3.04,464 1.329,465 22.533,466 0.469,467 1.181,468 0.025,469 67,470 1.396,471 34,472 0.708,473 33,474 0.688,475 44.109,476 0.919,477 50.067,478 0.611,479 60.928,480 1.269,481 13.261,482 0.276,483 10.073,484 0.21,485 0.089,487 0.364,493 0.758,494 1.42,495 0.722,496 1.095,497 0.541,498 0.929,499 0.831,500 1.006,501 0.837,502 0.888,503 0.562,504 0.851,505 1,506 1.155,507 1.001,508 1.11,509 0.895,510 1.061,511 1.205,512 0.994,513 1.031,514 0.991,515 1.26,516 0.986,517 1.027,518 0.961,519 1.068,520 1.058,521 1.181,522 1.074,523 0.914,524 0.993,525 0.945,526 1.026,527 0.977,528 1.001,529 0.863,530 0.894,531 0.915,532 0.916,533 0.763,534 0.923,535 1.062,536 1.064,537 0.985,538 1.056,539 0.973,540 1.025,541 9,542 0.318,543 5.111,544 4.431,545 2.311,546 2.001,547 1.275,548 0.906,549 0.652,550 0.618,551 49926,552 134039,553 2.148,554 41.5,556 21,557 1,558 5,559 2,560 1,561 4,564 1.841,565 2.028,566 4.171,567 0.106,573 130.228,574 1.588,575 4.017,576 5.246,577 5.754,578 5.876,579 5.876,580 3.683,581 5.293,582 5.547,583 4.38,584 4940.23,585 9.85,586 101456,591 521.319,592 1.349,593 5.525,594 0.167,595 0.005,596 0.066,597 0.055,598 0.03,599 0.026,600 0.017,601 0.012,602 0.009,603 0.009,604 0.398,605 0.33,606 0.63,607 0.456,608 289.743,609 -0.045,610 -0.253,611 0.062,612 -0.088,613 -0.022,614 -0.011,615 0.035,616 0.125,617 0.043,618 0.078,619 0.052,620 0.07,621 -0.042,622 -0.116,623 -0.073,624 -0.117,625 -0.006,626 -0.1,627 -0.128,628 -0.016,629 -0.036,630 -0.002,631 -0.086,632 -0.003,633 0.029,634 0.034,635 -0.095,636 -0.065,637 -0.038,638 -0.099,639 0.024,640 -0.05,641 0.057,642 -0.015,643 -0.011,644 0.019,645 0.162,646 0.064,647 0.096,648 0.079,649 0.182,650 0.079,651 -0.088,652 -0.119,653 0.002,654 -0.037,655 -0.052,656 -0.01,657 2.119,658 6.528,659 0.75,660 86.201,661 1.007,662 1.125,663 1.432,664 2.051,665 0.68,666 4.007,667 4.357,668 4.663,669 4.963,670 5.198,671 5.298,672 5.525,673 5.714,674 5.849,675 6.023,676 10.771,677 0.657,678 642.78,679 4.007,680 5.572,681 6.441,682 7.334,683 8.219,684 9.118,685 10.012,686 10.916,687 11.816,688 12.724,689 9.8,695 1,696 3,697 1,699 3,703 2,704 14,705 3,709 7,710 1,711 28,716 1,726 1,729 1,731 82,733 32,734 1,735 54,737 88,738 36,739 23,740 3,741 3,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 28,762 8,763 1,766 4,771 3,773 1,775 4,781 34,782 11,783 2,784 12,790 8,794 0.714,795 4,805 3,807 1,811 2,812 5,815 2,827 1,831 2,840 5,844 2,848 48,854 5,855 2,856 1,858 1,859 2,870 4.9,873 3,875 1,877 23.667,878 15.45,879 10.361,880 4.842,881 5.713,882 1.572,883 1.016,884 8.938,885 15.696,886 4.29,887 4.896,888 5.49,889 6.084,890 6.621,891 6.901,892 7.371,893 7.81,894 8.14,895 8.582,896 1,897 80,898 17.825,900 7.785,901 7.771,902 33.826,904 28.253,905 2.271,906 109,910 376.675,911 214.466,912 94.526,914 86.435,917 214.466,918 463.11,919 94.526,920 16.793,921 50.532,922 94.334,923 201.444,924 86.904,925 16.047,926 306.049,928 376.675,929 308.992,930 86.435,933 329.591,934 133.519,937 99.383,938 144.532,939 65.076,941 376.675,942 180.96,943 214.466,946 376.675,947 58.102,948 164.511,949 36.022,950 136.791,951 376.675,952 180.96,953 214.466,955 0.586,956 0.348,957 0.191,958 0.103,959 38,960 17,961 0.08,962 7,963 2,964 1.111,965 5.672,966 525.664,967 0.111,968 36,969 260.078,974 31.555,975 13.595,976 6.71,977 1.692,978 179.061,979 24.632,980 12.681,984 4.636,985 1.936,986 36.022,987 772.101,988 72,993 39.304,995 1.752,997 -0.392,999 82.61,1000 92.222,1001 0.25,1002 0.632,1003 0.825,1004 0.905,1005 0.924,1006 0.924,1007 5.545,1008 2.197,1009 6.431,1010 7.174,1011 5.043,1012 5.585,1013 2.739,1014 7.265,1015 4.975,1016 6.754,1017 2.028,1018 8.002,1019 6.744,1020 4.635,1021 5.373,1022 2.078,1023 8.187,1024 4.546,1025 8.065,1026 1.952,1027 9.673,1028 6.132,1029 6.658,1030 7.775,1031 3.456,1032 11.328,1033 6.528,1034 9.41,1035 1.822,1036 11.403,1037 5.555,1038 7.083,1039 8.416,1040 3.484,1041 13.119,1042 6.938,1043 10.789,1044 1.706,1045 13.173,1046 5.123,1047 8.569,1048 10.295,1049 4.486,1050 15.782,1051 8.387,1052 12.194,1053 1.61,1054 14.972,1055 4.95,1056 9.384,1057 11.368,1058 4.82,1059 17.949,1060 9.186,1061 13.619,1062 1.418,1063 16.792,1064 4.7,1065 10.66,1066 13.031,1067 5.647,1068 20.458,1069 10.43,1070 3.315,1071 1.385,1072 18.629,1073 3.326,1074 11.662,1075 14.332,1076 6.132,1077 22.788,1078 11.411,1079 3.172,1080 11.949,1081 20.48,1082 3.04,1083 12.858,1084 15.907,1085 6.872,1086 25.25,1087 12.578,1088 2.959,1089 10.802,1090 22.343,1091 4.706,1092 13.947,1093 17.326,1094 7.435,1095 27.651,1096 13.643,1097 2.677,1098 9.454,1099 24.216,1100 4.126,1101 15.117,1102 18.869,1103 8.132,1104 30.104,1105 14.786,1106 2.655,1107 8.656,1108 26.096,1109 3.483,1110 16.247,1111 20.347,1112 8.737,1113 32.537,1114 15.891,1115 2.483,1116 7.752,1117 27.984,1118 3.475,1119 17.412,1120 21.881,1121 9.414,1122 34.991,1123 17.028,1124 2.453,1125 7.329,1126 29.878,1127 3.328,1128 18.564,1129 23.39,1130 10.043,1131 37.44,1132 18.152,1133 45693,1134 75159,1135 36.698,1136 55.762,1137 82.917,1138 85.001,1139 83.896,1140 81.68,1141 81.618,1142 106.789,1143 12.642,1144 238.37,1145 78.803,1146 5.736,1147 5.814,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.352,1153 19.352,1154 5.213,1155 21.966,1156 1.536,1157 1.574,1158 1.554,1159 1.513,1160 1.511,1161 1.978,1162 0.234,1163 4.414,1164 1.459,1165 4.161,1166 4.197,1167 4.132,1168 4.05,1169 7.433,1170 4.066,1171 3.985,1172 4.005,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.924,1178 3.968,1179 3.854,1180 3.803,1181 7.425,1182 3.809,1183 3.863,1184 3.906,1185 3.807,1186 3.74,1187 5.031,1188 3.75,1189 3.822,1190 3.874,1191 3.73,1192 3.693,1193 4.913,1194 3.693,1195 3.559,1196 3.604,1197 3.51,1198 3.409,1199 4.892,1200 3.424,1201 3.512,1202 3.564,1203 3.43,1204 3.278,1205 4.845,1206 3.306,1207 3.404,1208 3.473,1209 3.302,1210 3.2,1211 4.442,1212 3.214,1213 0.088,1214 0.071,1215 0.13,1216 0.079,1217 0.061,1218 4.736,1219 0.087,1220 3.814,1221 0.036,1222 6.998,1223 0.221,1224 4.283,1225 0.06,1226 3.315,1227 4.706,1228 1.943,1229 11.949,1230 3.213,1231 1.941,1232 1.907,1233 2.069,1234 2.087,1235 1.421,1236 2.083,1237 1.884,1238 1.863,1239 1.981,1240 2.006,1241 1.122,1242 1.997,1243 1.863,1244 1.826,1245 1.967,1246 2.001,1247 1.093,1248 1.993,1249 1.816,1250 1.777,1251 1.927,1252 1.943,1253 1.073,1254 1.941,1255 1.768,1256 1.726,1257 1.9,1258 1.925,1259 0.944,1260 1.922,1261 1.652,1262 1.61,1263 1.794,1264 1.827,1265 0.886,1266 1.82,1267 1.426,1268 1.36,1269 1.676,1270 1.691,1271 0.825,1272 1.687,1273 1.362,1274 1.307,1275 1.559,1276 1.58,1277 0.745,1278 1.565,1279 4.691,1281 6.033,1282 3.045,1283 7.564,1284 5.533,1285 9.178,1286 7.719,1287 10.838,1289 3.777,1295 3.46,1296 5.466,1297 6.014,1299 -0.049,1300 4.091,1305 53.879,1306 130.228,1307 329.355,1308 430.2,1309 471.809,1310 481.809,1311 481.809,1312 95.549,1313 9.983,1314 138.49,1315 138.49,1316 40,1317 13.243,1318 5.044,1319 4.248,1320 68.791,1321 303,1322 342,1323 0.106,1324 324.915,1325 568.62,1326 784.551,1327 442540,1329 33.2,1330 0.692,1331 0.554,1332 33.2,1333 26.589,1334 23.335,1335 0.432,1336 0.291,1337 15.484,1338 22.367,1339 15.127,1340 12.512,1341 23.335,1342 15.73,1343 21.334,1344 0.277,1345 0.156,1346 21.334,1347 12.007,1348 18.489,1349 0.176,1350 0.083,1351 18.489,1352 8.726,1353 15.814,1354 0.111,1355 0.045,1356 15.814,1357 6.35,1358 12.912,1359 0.072,1360 0.024,1361 12.912,1362 4.377,1363 0.172,1364 146.72,1365 0.165,1366 42.225,1367 0.277,1368 262,1369 773.479,1370 288.143,1371 747.32,1372 1027.72,1373 700,1374 313,1375 765.478,1376 341.087,1377 775.268,1378 1135.71,1379 728,1380 5.91}
{0 CHEMBL1091706,1 1.588,2 19.313,3 2.997,4 8.98,5 181.611,6 7.839,7 0.519,8 4.522,9 4.638,10 4.139,11 4.057,12 5.66,13 4.057,14 5.058,15 5.226,16 4.516,17 4.464,18 6.165,19 4.448,20 5.314,21 5.501,22 4.593,23 4.615,24 6.423,25 4.572,26 5.419,27 5.632,28 4.558,29 4.63,30 6.499,31 4.571,32 5.404,33 5.606,34 4.571,35 4.643,36 6.536,37 4.579,38 5.472,39 5.702,40 4.552,41 4.669,42 6.487,43 4.587,44 5.43,45 5.657,46 4.553,47 4.622,48 6.557,49 4.553,50 5.366,51 5.583,52 4.469,53 4.59,54 6.399,55 4.515,56 0.071,57 1.271,58 15.093,59 6.865,60 11.974,61 8.685,62 0.474,63 2.065,64 29.774,65 11.264,66 37.762,67 14.834,68 0.607,69 2.497,70 41.021,71 15.317,72 70.059,73 20.062,74 0.745,75 2.63,76 49.111,77 17.274,78 99.465,79 22.757,80 0.923,81 2.61,82 47.184,83 17.122,84 104.677,85 22.592,86 0.76,87 2.721,88 52.954,89 19.171,90 88.441,91 26.221,92 1.02,93 2.606,94 51.123,95 17.778,96 126.477,97 24.312,98 0.657,99 2.454,100 46.962,101 17.324,102 86.812,103 22.925,104 26,105 77,106 0.236,107 0.595,108 0.788,109 0.868,110 0.888,111 0.888,112 3.895,113 0.874,114 -2.66,115 -2.68,116 -2.61,119 43.9,121 2,122 1,124 2,125 3,135 1,138 1,142 9,143 3,144 4,145 4,146 1,151 1,157 1,158 1,159 1,161 1,172 9,174 2,175 17,178 2,179 1,180 3,183 6,186 2,187 16,190 1,192 3,195 4,198 2,199 10,204 3,207 8,211 5,212 8,215 3,217 3,220 9,223 3,224 9,229 1,232 11,236 4,237 14,240 2,242 1,245 10,249 1,250 13,255 2,258 6,262 4,263 11,266 1,268 1,271 3,275 6056,276 32.739,277 32.739,278 32.739,279 32.739,280 32.739,281 28.846,282 41.594,283 19.219,284 33.396,285 26.683,286 26.683,287 26.683,288 26.683,289 26.683,290 20.658,291 58.844,292 9.191,293 27.704,294 4.769,295 2.352,296 1.058,297 0.515,298 0.384,299 0.384,300 4.612,306 2055,307 4.472,310 226.409,311 790.279,314 425.705,318 3.31,319 51.058,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 104,331 927,332 4.736,333 3.814,334 6.998,335 4.283,336 3.315,337 4.706,338 1.943,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.121,351 3.56,352 6.344,353 3.94,354 2.959,355 3.483,356 0.86,357 9.454,358 2.904,359 3.996,360 3.373,361 6.059,362 3.637,363 2.677,364 3.475,365 0.8,366 8.656,367 2.566,368 3.905,369 2.897,370 5.673,371 3.592,372 2.655,373 3.328,374 0.736,375 7.752,376 2.49,377 3.863,378 2.779,379 5.53,380 3.452,381 2.483,382 3.272,383 0.247,384 7.329,385 2.401,386 3.83,387 2.776,388 5.435,389 3.421,390 2.453,391 3.189,392 0.079,393 7.174,394 2.366,395 3.602,396 2.556,397 5.366,398 3.165,399 2.197,400 2.927,402 6.744,403 2.117,404 3.387,405 2.473,406 5.239,407 2.988,408 2.028,409 2.663,411 6.132,412 1.941,413 3.23,414 2.232,415 4.975,416 2.938,417 1.952,418 2.448,420 5.555,421 1.912,422 3.202,423 2.181,424 4.846,425 2.799,426 1.822,427 2.301,428 5.123,429 1.764,430 3.031,431 1.984,432 4.734,433 2.648,434 1.706,435 2.172,436 4.95,437 1.604,438 2.964,439 1.867,440 4.607,441 2.562,442 1.61,443 2.101,445 4.7,446 1.521,447 2.847,448 1.775,449 4.172,450 2.403,451 1.418,452 1.98,454 3.326,455 1.392,456 2.78,457 1.519,458 3.727,459 2.348,460 1.385,461 1.842,463 3.04,464 1.33,465 22.533,466 0.469,467 1.181,468 0.025,469 67,470 1.396,471 34,472 0.708,473 33,474 0.688,475 44.065,476 0.918,477 50.067,478 0.611,479 60.972,480 1.27,481 13.265,482 0.276,483 10.07,484 0.21,485 0.089,487 0.364,493 0.758,494 1.42,495 0.722,496 1.095,497 0.544,498 0.929,499 0.824,500 1.037,501 0.833,502 0.906,503 0.561,504 0.861,505 1.016,506 1.116,507 0.998,508 1.075,509 0.906,510 1.035,511 1.227,512 1.015,513 1.038,514 0.998,515 1.281,516 0.99,517 1.04,518 0.98,519 1.072,520 1.049,521 1.182,522 1.068,523 0.907,524 0.99,525 0.945,526 1.019,527 0.938,528 0.995,529 0.903,530 0.913,531 0.923,532 0.922,533 0.79,534 0.924,535 1.119,536 0.994,537 1.006,538 1.012,539 1.049,540 1.002,541 9,542 0.318,543 5.111,544 4.431,545 2.311,546 2.001,547 1.275,548 0.906,549 0.652,550 0.618,551 49926,552 133423,553 2.148,554 41.5,556 22,557 1,558 4,559 2,560 1,561 4,564 1.841,565 2.028,566 4.171,567 0.106,573 130.228,574 1.588,575 4.005,576 5.299,577 5.842,578 5.973,579 5.973,580 3.683,581 5.293,582 5.547,583 4.38,584 4940.23,585 9.85,586 101456,591 521.319,592 1.349,593 5.525,594 0.167,595 0.005,596 0.066,597 0.055,598 0.03,599 0.026,600 0.017,601 0.012,602 0.009,603 0.009,604 0.398,605 0.33,606 0.63,607 0.456,608 289.743,609 -0.045,610 -0.253,611 0.062,612 -0.088,613 -0.025,614 -0.011,615 0.042,616 0.093,617 0.047,618 0.06,619 0.053,620 0.06,621 -0.038,622 -0.071,623 -0.064,624 -0.091,625 -0.008,626 -0.08,627 -0.135,628 -0.031,629 -0.044,630 -0.013,631 -0.09,632 -0.013,633 0.035,634 0.023,635 -0.099,636 -0.062,637 -0.026,638 -0.099,639 0.022,640 -0.039,641 0.055,642 -0.012,643 -0.006,644 0.022,645 0.13,646 0.049,647 0.087,648 0.07,649 0.159,650 0.075,651 -0.105,652 -0.043,653 -0.014,655 -0.073,656 0.005,657 2.12,658 6.527,659 0.75,660 86.201,661 1.007,662 1.125,663 1.432,664 2.051,665 0.68,666 4.007,667 4.357,668 4.663,669 4.963,670 5.198,671 5.298,672 5.525,673 5.714,674 5.849,675 6.023,676 10.771,677 0.657,678 642.78,679 4.007,680 5.572,681 6.441,682 7.334,683 8.219,684 9.118,685 10.012,686 10.916,687 11.816,688 12.724,689 9.8,695 1,696 3,697 1,699 3,703 2,704 14,705 3,709 7,710 1,711 28,716 1,726 1,729 1,731 82,733 32,734 1,735 54,737 88,738 36,739 23,740 3,741 3,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 28,762 8,763 1,766 4,771 3,773 1,775 4,781 34,782 11,783 2,784 12,790 8,794 0.714,795 4,805 3,807 1,811 2,812 5,815 2,827 1,831 2,840 5,844 2,848 48,854 5,855 2,856 1,858 1,859 2,870 4.9,873 3,875 1,877 23.667,878 15.45,879 10.361,880 4.853,881 5.713,882 1.572,883 1.016,884 8.938,885 15.696,886 4.29,887 4.896,888 5.49,889 6.084,890 6.621,891 6.901,892 7.371,893 7.81,894 8.14,895 8.582,896 1,897 80,898 17.829,900 7.791,901 7.771,902 33.826,904 28.244,905 2.271,906 109,910 376.675,911 214.466,912 94.526,914 86.435,917 214.466,918 463.11,919 94.526,920 16.793,921 50.532,922 103.81,923 189.673,924 77.428,925 16.047,926 317.82,928 376.675,929 308.992,930 86.435,933 329.591,934 133.519,937 93.093,938 150.822,939 65.076,941 376.675,942 180.96,943 214.466,946 376.675,947 57.673,948 164.94,949 36.022,950 136.791,951 376.675,952 180.96,953 214.466,955 0.586,956 0.348,957 0.191,958 0.103,959 38,960 17,961 0.08,962 7,963 2,964 1.111,965 5.672,966 525.664,967 0.111,968 36,969 264.078,974 31.555,975 13.595,976 6.71,977 1.688,978 179.061,979 24.75,980 12.973,984 4.441,985 1.934,986 36.022,987 772.101,988 72,993 39.291,995 1.751,997 -0.414,999 82.61,1000 92.222,1001 0.25,1002 0.63,1003 0.834,1004 0.919,1005 0.94,1006 0.94,1007 5.545,1008 2.197,1009 6.431,1010 7.174,1011 5.043,1012 5.585,1013 2.739,1014 7.265,1015 4.973,1016 6.754,1017 2.028,1018 8.002,1019 6.744,1020 4.635,1021 5.373,1022 2.078,1023 8.187,1024 4.54,1025 8.065,1026 1.952,1027 9.673,1028 6.132,1029 6.658,1030 7.775,1031 3.456,1032 11.328,1033 6.523,1034 9.41,1035 1.822,1036 11.403,1037 5.555,1038 7.083,1039 8.416,1040 3.484,1041 13.119,1042 6.929,1043 10.789,1044 1.706,1045 13.173,1046 5.123,1047 8.569,1048 10.295,1049 4.486,1050 15.782,1051 8.379,1052 12.194,1053 1.61,1054 14.972,1055 4.95,1056 9.384,1057 11.368,1058 4.82,1059 17.949,1060 9.176,1061 13.619,1062 1.418,1063 16.792,1064 4.7,1065 10.66,1066 13.031,1067 5.647,1068 20.458,1069 10.421,1070 3.315,1071 1.385,1072 18.629,1073 3.326,1074 11.662,1075 14.332,1076 6.132,1077 22.788,1078 11.402,1079 3.172,1080 11.949,1081 20.48,1082 3.04,1083 12.858,1084 15.907,1085 6.872,1086 25.25,1087 12.57,1088 2.959,1089 10.802,1090 22.343,1091 4.706,1092 13.947,1093 17.326,1094 7.435,1095 27.651,1096 13.636,1097 2.677,1098 9.454,1099 24.216,1100 4.126,1101 15.117,1102 18.869,1103 8.132,1104 30.104,1105 14.779,1106 2.655,1107 8.656,1108 26.096,1109 3.483,1110 16.247,1111 20.347,1112 8.737,1113 32.537,1114 15.884,1115 2.483,1116 7.752,1117 27.984,1118 3.475,1119 17.412,1120 21.881,1121 9.414,1122 34.991,1123 17.022,1124 2.453,1125 7.329,1126 29.878,1127 3.328,1128 18.564,1129 23.39,1130 10.043,1131 37.44,1132 18.147,1133 45693,1134 74993,1135 36.698,1136 55.762,1137 82.917,1138 85.001,1139 83.896,1140 81.686,1141 81.618,1142 106.789,1143 12.642,1144 238.37,1145 78.779,1146 5.736,1147 5.814,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.352,1153 19.352,1154 5.213,1155 21.966,1156 1.536,1157 1.574,1158 1.554,1159 1.513,1160 1.511,1161 1.978,1162 0.234,1163 4.414,1164 1.459,1165 4.161,1166 4.197,1167 4.132,1168 4.05,1169 7.433,1170 4.066,1171 3.984,1172 4.005,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.92,1178 3.966,1179 3.851,1180 3.791,1181 7.425,1182 3.798,1183 3.863,1184 3.906,1185 3.807,1186 3.739,1187 5.031,1188 3.749,1189 3.822,1190 3.874,1191 3.73,1192 3.694,1193 4.911,1194 3.694,1195 3.56,1196 3.608,1197 3.51,1198 3.41,1199 4.883,1200 3.425,1201 3.517,1202 3.566,1203 3.433,1204 3.291,1205 4.845,1206 3.316,1207 3.407,1208 3.475,1209 3.304,1210 3.219,1211 4.442,1212 3.228,1213 0.088,1214 0.071,1215 0.13,1216 0.079,1217 0.061,1218 4.736,1219 0.087,1220 3.814,1221 0.036,1222 6.998,1223 0.221,1224 4.283,1225 0.06,1226 3.315,1227 4.706,1228 1.943,1229 11.949,1230 3.213,1231 1.941,1232 1.906,1233 2.069,1234 2.087,1235 1.421,1236 2.082,1237 1.883,1238 1.863,1239 1.974,1240 2.006,1241 1.105,1242 1.994,1243 1.854,1244 1.814,1245 1.967,1246 1.999,1247 1.081,1248 1.992,1249 1.816,1250 1.777,1251 1.927,1252 1.943,1253 1.06,1254 1.941,1255 1.769,1256 1.728,1257 1.901,1258 1.925,1259 0.944,1260 1.922,1261 1.652,1262 1.61,1263 1.794,1264 1.828,1265 0.886,1266 1.821,1267 1.445,1268 1.376,1269 1.696,1270 1.697,1271 0.825,1272 1.698,1273 1.366,1274 1.318,1275 1.559,1276 1.58,1277 0.786,1278 1.565,1279 4.691,1281 6.033,1282 3.045,1283 7.564,1284 5.533,1285 9.178,1286 7.719,1287 10.838,1289 3.756,1295 3.362,1296 5.465,1297 6.013,1299 -0.062,1300 4.052,1305 53.879,1306 130.228,1307 328.435,1308 434.525,1309 479.055,1310 489.809,1311 489.809,1312 95.898,1313 9.983,1314 138.49,1315 138.49,1316 40,1317 13.243,1318 5.044,1319 4.248,1320 68.791,1321 303,1322 342,1323 0.106,1324 324.915,1325 568.62,1326 784.551,1327 442540,1329 33.2,1330 0.692,1331 0.554,1332 33.2,1333 26.589,1334 23.335,1335 0.432,1336 0.291,1337 15.495,1338 22.374,1339 15.142,1340 12.522,1341 23.335,1342 15.74,1343 21.334,1344 0.277,1345 0.155,1346 21.334,1347 11.972,1348 18.489,1349 0.176,1350 0.083,1351 18.489,1352 8.683,1353 15.814,1354 0.111,1355 0.045,1356 15.814,1357 6.322,1358 12.912,1359 0.072,1360 0.024,1361 12.912,1362 4.365,1363 0.172,1364 146.674,1365 0.165,1366 42.225,1367 0.277,1368 262,1369 773.479,1370 288.476,1371 747.162,1372 1028.6,1373 700,1374 313,1375 767.83,1376 341.448,1377 776.756,1378 1138.71,1379 730,1380 5.804}
{0 CHEMBL1091707,1 1.557,2 19.313,3 3.719,4 13.829,5 184.139,6 7.732,7 0.519,8 4.529,9 4.644,10 4.135,11 4.076,12 5.654,13 4.07,14 5.066,15 5.233,16 4.512,17 4.487,18 6.159,19 4.463,20 5.327,21 5.514,22 4.591,23 4.639,24 6.421,25 4.588,26 5.441,27 5.659,28 4.557,29 4.65,30 6.504,31 4.584,32 5.413,33 5.614,34 4.569,35 4.661,36 6.527,37 4.591,38 5.49,39 5.722,40 4.551,41 4.686,42 6.499,43 4.599,44 5.438,45 5.663,46 4.551,47 4.644,48 6.552,49 4.567,50 5.388,51 5.607,52 4.469,53 4.611,54 6.401,55 4.529,56 0.05,57 1.254,58 15.614,59 7.117,60 11.411,61 9.047,62 0.436,63 2.058,64 30.432,65 11.778,66 35.961,67 15.527,68 0.505,69 2.509,70 41.943,71 16.11,72 66.069,73 21.182,74 0.7,75 2.683,76 50.982,77 18.009,78 97.946,79 23.86,80 0.808,81 2.628,82 47.895,83 17.79,84 96.353,85 23.462,86 0.723,87 2.763,88 54.486,89 19.87,90 90.028,91 27.129,92 0.937,93 2.625,94 51.566,95 18.562,96 122.717,97 25.311,98 0.555,99 2.491,100 48.41,101 18.22,102 83.254,103 24.254,104 26,105 77,106 0.231,107 0.585,108 0.776,109 0.859,110 0.875,111 0.875,112 3.895,113 0.882,114 -3.56,115 -3.53,116 -3.37,119 44.6,121 2,122 1,124 2,125 3,135 1,138 1,142 11,143 4,144 4,145 3,151 1,157 1,158 1,159 1,161 1,172 13,174 2,175 16,178 2,179 1,180 3,183 11,186 1,187 16,190 1,192 3,195 7,198 2,199 12,204 3,207 9,211 4,212 8,215 3,217 3,220 12,223 3,224 8,229 1,232 14,236 4,237 15,240 2,242 1,245 12,250 14,255 2,258 6,262 4,263 12,266 1,268 1,271 5,275 6056,276 32.739,277 32.739,278 32.739,279 32.739,280 32.739,281 28.846,282 41.594,283 19.219,284 33.329,285 26.683,286 26.683,287 26.683,288 26.683,289 26.683,290 20.658,291 58.844,292 9.191,293 27.598,294 4.818,295 2.431,296 1.145,297 0.582,298 0.476,299 0.476,300 4.612,306 2055,307 4.472,310 226.409,311 790.279,314 425.705,318 3.31,319 48.635,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 103.5,331 927,332 4.736,333 3.814,334 6.998,335 4.283,336 3.315,337 4.706,338 1.943,339 11.949,340 3.213,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.121,351 3.56,352 6.344,353 3.942,354 2.959,355 3.483,356 0.86,357 9.454,358 2.907,359 3.996,360 3.373,361 6.059,362 3.638,363 2.677,364 3.475,365 0.8,366 8.656,367 2.567,368 3.905,369 2.897,370 5.673,371 3.598,372 2.655,373 3.328,374 0.736,375 7.752,376 2.527,377 3.863,378 2.779,379 5.53,380 3.474,381 2.483,382 3.272,383 0.247,384 7.329,385 2.433,386 3.83,387 2.776,388 5.435,389 3.422,390 2.453,391 3.189,392 0.079,393 7.174,394 2.37,395 3.602,396 2.556,397 5.366,398 3.165,399 2.197,400 2.927,402 6.744,403 2.117,404 3.387,405 2.473,406 5.239,407 2.991,408 2.028,409 2.663,411 6.132,412 1.945,413 3.23,414 2.232,415 4.975,416 2.939,417 1.952,418 2.448,420 5.555,421 1.916,422 3.202,423 2.181,424 4.846,425 2.799,426 1.822,427 2.301,428 5.123,429 1.764,430 3.031,431 1.984,432 4.734,433 2.65,434 1.706,435 2.172,436 4.95,437 1.607,438 2.964,439 1.867,440 4.607,441 2.562,442 1.61,443 2.101,445 4.7,446 1.521,447 2.847,448 1.775,449 4.172,450 2.411,451 1.418,452 1.98,454 3.326,455 1.405,456 2.78,457 1.519,458 3.727,459 2.348,460 1.385,461 1.842,463 3.04,464 1.33,465 22.633,466 0.472,467 1.181,468 0.025,469 66.5,470 1.385,471 34,472 0.708,473 32.5,474 0.677,475 44.424,476 0.926,477 49.967,478 0.602,479 60.613,480 1.263,481 13.18,482 0.275,483 10.155,484 0.212,485 0.088,487 0.362,493 0.749,494 1.374,495 0.735,496 1.073,497 0.543,498 0.925,499 0.803,500 1.008,501 0.842,502 0.906,503 0.552,504 0.87,505 0.988,506 1.167,507 0.994,508 1.108,509 0.885,510 1.058,511 1.23,512 0.991,513 1.029,514 0.97,515 1.267,516 0.967,517 1.047,518 1.01,519 1.068,520 1.069,521 1.19,522 1.076,523 0.937,524 0.972,525 0.946,526 0.994,527 0.983,528 0.976,529 0.871,530 0.928,531 0.917,532 0.942,533 0.771,534 0.938,535 1.093,536 1.041,537 0.985,538 1.028,539 1.02,540 1.005,541 9,542 0.318,543 5.111,544 4.431,545 2.311,546 2.001,547 1.275,548 0.906,549 0.652,550 0.618,551 49926,552 129277,553 2.148,554 42.2,556 24,557 1,558 3,559 2,560 1,561 4,564 1.841,565 2.028,566 4.171,567 0.085,573 129.202,574 1.557,575 3.944,576 5.23,577 5.794,578 5.899,579 5.899,580 3.683,581 5.293,582 5.547,583 4.38,584 4940.23,585 9.85,586 101456,591 529.128,592 1.349,593 5.525,594 0.167,595 0.005,596 0.066,597 0.055,598 0.03,599 0.026,600 0.017,601 0.012,602 0.009,603 0.009,604 0.398,605 0.33,606 0.63,607 0.456,608 289.743,609 -0.037,610 -0.217,611 0.062,612 -0.07,613 -0.026,614 -0.003,615 0.059,616 0.119,617 0.043,618 0.061,619 0.055,620 0.055,621 -0.022,622 -0.129,623 -0.059,624 -0.12,625 0.003,626 -0.098,627 -0.124,628 -0.002,629 -0.028,630 0.008,631 -0.081,632 0.007,633 0.031,634 -0.007,635 -0.095,636 -0.082,637 -0.032,638 -0.108,639 0.022,640 -0.017,641 0.058,642 0.006,643 -0.011,644 0.034,645 0.157,646 0.037,647 0.088,648 0.052,649 0.173,650 0.06,651 -0.09,652 -0.095,653 0.008,654 -0.016,655 -0.055,656 0.005,657 2.117,658 6.531,659 0.75,660 86.201,661 1.005,662 1.122,663 2.326,664 5.411,665 0.681,666 4.007,667 4.357,668 4.663,669 4.963,670 5.198,671 5.298,672 5.525,673 5.714,674 5.849,675 6.023,676 10.771,677 0.655,678 641.79,679 4.007,680 5.572,681 6.441,682 7.334,683 8.219,684 9.118,685 10.012,686 10.916,687 11.816,688 12.724,689 8.4,695 1,696 3,697 1,699 2,703 2,704 15,705 2,709 7,710 1,711 28,716 1,726 1,729 1,731 83,733 32,734 2,735 54,737 89,738 37,739 24,740 4,741 8,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 29,762 8,763 1,766 4,771 3,773 1,775 4,781 35,782 10,783 2,784 11,790 7,794 0.714,795 4,805 2,807 1,811 2,812 5,815 2,827 1,831 2,840 5,844 2,848 48,854 5,855 2,856 1,858 1,859 2,870 4.8,873 3,875 1,877 23.667,878 15.583,879 10.361,880 4.931,881 5.713,882 1.572,883 1.018,884 8.981,885 15.696,886 4.29,887 4.896,888 5.49,889 6.084,890 6.621,891 6.901,892 7.371,893 7.81,894 8.14,895 8.582,896 1,897 80,898 17.839,900 7.794,901 7.75,902 33.956,904 28.437,905 2.25,906 108,910 388.446,911 224.8,912 77.74,914 86.435,917 224.8,918 474.881,919 77.74,920 16.793,921 50.532,922 122.762,923 161.116,924 68.809,925 16.047,926 341.362,928 388.446,929 302.54,930 86.435,933 341.362,934 133.519,937 81.289,938 172.961,939 48.291,941 388.446,942 164.175,943 224.8,946 388.446,947 58.102,948 174.845,949 36.022,950 120.006,951 388.446,952 164.175,953 224.8,955 0.586,956 0.348,957 0.191,958 0.103,959 38,960 17,961 0.079,962 7,963 2,964 1.111,965 5.672,966 525.664,967 0.111,968 36,969 260.078,974 31.617,975 13.635,976 6.733,977 1.703,978 162.276,979 27.362,980 8.628,984 4.721,985 1.94,986 36.022,987 777.421,988 72,993 39.325,995 1.757,997 -0.362,999 83.392,1000 93.139,1001 0.244,1002 0.619,1003 0.82,1004 0.909,1005 0.925,1006 0.925,1007 5.545,1008 2.197,1009 6.431,1010 7.174,1011 5.043,1012 5.585,1013 2.739,1014 7.265,1015 4.98,1016 6.754,1017 2.028,1018 8.002,1019 6.744,1020 4.635,1021 5.373,1022 2.078,1023 8.187,1024 4.546,1025 8.065,1026 1.952,1027 9.673,1028 6.132,1029 6.658,1030 7.775,1031 3.456,1032 11.328,1033 6.535,1034 9.41,1035 1.822,1036 11.403,1037 5.555,1038 7.083,1039 8.416,1040 3.484,1041 13.119,1042 6.938,1043 10.789,1044 1.706,1045 13.173,1046 5.123,1047 8.569,1048 10.295,1049 4.486,1050 15.782,1051 8.393,1052 12.194,1053 1.61,1054 14.972,1055 4.95,1056 9.384,1057 11.368,1058 4.82,1059 17.949,1060 9.186,1061 13.619,1062 1.418,1063 16.792,1064 4.7,1065 10.66,1066 13.031,1067 5.647,1068 20.458,1069 10.434,1070 3.315,1071 1.385,1072 18.629,1073 3.326,1074 11.662,1075 14.332,1076 6.132,1077 22.788,1078 11.412,1079 3.172,1080 11.949,1081 20.48,1082 3.04,1083 12.858,1084 15.907,1085 6.872,1086 25.25,1087 12.581,1088 2.959,1089 10.802,1090 22.343,1091 4.706,1092 13.947,1093 17.326,1094 7.435,1095 27.651,1096 13.644,1097 2.677,1098 9.454,1099 24.216,1100 4.126,1101 15.117,1102 18.869,1103 8.132,1104 30.104,1105 14.788,1106 2.655,1107 8.656,1108 26.096,1109 3.483,1110 16.247,1111 20.347,1112 8.737,1113 32.537,1114 15.892,1115 2.483,1116 7.752,1117 27.984,1118 3.475,1119 17.412,1120 21.881,1121 9.414,1122 34.991,1123 17.029,1124 2.453,1125 7.329,1126 29.878,1127 3.328,1128 18.564,1129 23.39,1130 10.043,1131 37.44,1132 18.153,1133 45693,1134 73873,1135 36.698,1136 56.517,1137 82.917,1138 85.001,1139 83.896,1140 81.692,1141 81.618,1142 106.789,1143 12.642,1144 238.37,1145 79.07,1146 5.736,1147 5.814,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.352,1153 19.352,1154 5.213,1155 21.966,1156 1.536,1157 1.574,1158 1.554,1159 1.513,1160 1.511,1161 1.978,1162 0.234,1163 4.414,1164 1.464,1165 4.161,1166 4.197,1167 4.132,1168 4.05,1169 7.433,1170 4.066,1171 3.985,1172 4.006,1173 3.953,1174 3.887,1175 7.427,1176 3.899,1177 3.939,1178 3.976,1179 3.865,1180 3.858,1181 7.425,1182 3.853,1183 3.865,1184 3.907,1185 3.808,1186 3.743,1187 5.03,1188 3.752,1189 3.832,1190 3.881,1191 3.736,1192 3.703,1193 4.909,1194 3.704,1195 3.561,1196 3.61,1197 3.51,1198 3.41,1199 4.846,1200 3.425,1201 3.518,1202 3.566,1203 3.434,1204 3.291,1205 4.752,1206 3.316,1207 3.407,1208 3.476,1209 3.304,1210 3.219,1211 4.441,1212 3.229,1213 0.088,1214 0.071,1215 0.13,1216 0.079,1217 0.061,1218 4.736,1219 0.087,1220 3.814,1221 0.036,1222 6.998,1223 0.221,1224 4.283,1225 0.06,1226 3.315,1227 4.706,1228 1.943,1229 11.949,1230 3.213,1231 1.943,1232 1.909,1233 2.074,1234 2.087,1235 1.421,1236 2.084,1237 1.911,1238 1.881,1239 2.034,1240 2.01,1241 1.166,1242 2.018,1243 1.883,1244 1.862,1245 1.967,1246 2.006,1247 1.098,1248 1.993,1249 1.816,1250 1.777,1251 1.927,1252 1.943,1253 1.076,1254 1.941,1255 1.775,1256 1.734,1257 1.903,1258 1.929,1259 0.944,1260 1.927,1261 1.652,1262 1.61,1263 1.794,1264 1.828,1265 0.886,1266 1.821,1267 1.447,1268 1.377,1269 1.699,1270 1.699,1271 0.825,1272 1.701,1273 1.366,1274 1.318,1275 1.559,1276 1.58,1277 0.808,1278 1.565,1279 4.691,1281 6.033,1282 3.045,1283 7.564,1284 5.533,1285 9.178,1286 7.719,1287 10.838,1289 3.801,1295 3.545,1296 5.47,1297 6.017,1299 -0.034,1300 4.127,1305 54.384,1306 129.202,1307 327.323,1308 434.055,1309 480.864,1310 489.618,1311 489.618,1312 95.427,1313 9.983,1314 125.6,1315 125.6,1316 40,1317 13.243,1318 5.044,1319 4.248,1320 68.791,1321 303,1322 342,1323 0.106,1324 327.713,1325 574.92,1326 791.379,1327 442540,1329 33.2,1330 0.692,1331 0.557,1332 33.2,1333 26.72,1334 23.335,1335 0.432,1336 0.294,1337 15.651,1338 22.446,1339 15.281,1340 12.648,1341 23.335,1342 15.88,1343 21.334,1344 0.277,1345 0.158,1346 21.334,1347 12.137,1348 18.489,1349 0.176,1350 0.084,1351 18.489,1352 8.82,1353 15.814,1354 0.111,1355 0.045,1356 15.814,1357 6.445,1358 12.912,1359 0.072,1360 0.025,1361 12.912,1362 4.452,1363 0.172,1364 146.22,1365 0.165,1366 42.225,1367 0.277,1368 262,1369 753.833,1370 286.755,1371 730.211,1372 1006.36,1373 684,1374 313,1375 751.365,1376 339.755,1377 761.923,1378 1117.59,1379 716,1380 5}
{0 CHEMBL1091708,1 1.601,2 18.681,3 2.561,4 6.56,5 177.148,6 7.959,7 0.528,8 4.49,9 4.604,10 4.12,11 4.026,12 5.643,13 4.03,14 5.021,15 5.184,16 4.501,17 4.435,18 6.143,19 4.424,20 5.276,21 5.459,22 4.586,23 4.589,24 6.403,25 4.553,26 5.376,27 5.579,28 4.556,29 4.611,30 6.488,31 4.559,32 5.388,33 5.588,34 4.557,35 4.623,36 6.54,37 4.562,38 5.423,39 5.645,40 4.525,41 4.638,42 6.447,43 4.559,44 5.393,45 5.619,46 4.517,47 4.587,48 6.514,49 4.515,50 5.328,51 5.554,52 4.426,53 4.528,54 6.358,55 4.457,56 0.082,57 1.231,58 14.096,59 6.529,60 12.072,61 8.115,62 0.475,63 1.996,64 27.853,65 10.735,66 37.418,67 13.882,68 0.619,69 2.414,70 38.626,71 14.636,72 66.585,73 18.827,74 0.71,75 2.55,76 45.473,77 16.509,78 91.814,79 21.289,80 0.981,81 2.551,82 46.205,83 16.864,84 112.856,85 21.83,86 0.748,87 2.619,88 49.204,89 18.222,90 85.214,91 24.557,92 0.995,93 2.528,94 48.7,95 17.21,96 120.942,97 23.453,98 0.705,99 2.355,100 45.915,101 16.449,102 86.409,103 21.806,104 26,105 76,106 0.239,107 0.598,108 0.771,109 0.846,110 0.876,111 0.883,112 3.874,113 0.865,114 -2.48,115 -2.51,116 -2.46,119 44.3,121 2,122 1,124 2,125 2,135 1,138 1,142 8,143 3,144 5,145 5,151 1,157 1,158 1,159 1,161 1,172 8,174 2,175 17,178 2,179 1,180 3,183 5,186 2,187 16,190 1,192 3,195 4,198 2,199 10,204 3,207 9,211 5,212 7,215 3,217 3,220 11,223 3,224 8,229 1,232 10,236 4,237 14,240 2,242 1,245 7,249 1,250 13,255 2,258 4,262 4,263 10,266 1,268 1,271 5,275 5622,276 32.084,277 32.084,278 32.084,279 32.084,280 32.084,281 28.216,282 41.046,283 18.764,284 32.743,285 26.167,286 26.167,287 26.167,288 26.167,289 26.167,290 20.167,291 58.756,292 8.943,293 27.187,294 4.703,295 2.308,296 1.147,297 0.646,298 0.449,299 0.399,300 4.592,306 1951,307 4.359,310 219.152,311 762.074,314 412.122,318 3.136,319 50.526,322 0.5,323 0.5,324 0.67,325 0.4,326 0.5,327 0.67,328 1,329 0.6,330 102,331 878,332 4.736,333 3.833,334 6.998,335 4.283,336 3.315,337 4.706,338 1.94,339 11.949,340 3.214,341 4.514,342 3.731,343 6.695,344 4.151,345 3.172,346 4.126,347 1.656,348 10.802,349 3.104,350 4.238,351 3.56,352 6.527,353 4.011,354 3.039,355 3.627,356 0.86,357 10.028,358 2.956,359 3.996,360 3.374,361 6.068,362 3.642,363 2.693,364 3.483,365 0.8,366 8.695,367 2.567,368 3.908,369 2.9,370 5.696,371 3.619,372 2.667,373 3.327,374 0.555,375 7.752,376 2.524,377 3.859,378 2.776,379 5.671,380 3.429,381 2.456,382 3.259,383 0.247,384 7.539,385 2.388,386 3.737,387 2.732,388 5.529,389 3.398,390 2.426,391 3.06,393 7.329,394 2.342,395 3.602,396 2.556,397 5.368,398 3.165,399 2.196,400 2.927,402 6.742,403 2.117,404 3.387,405 2.473,406 5.239,407 2.958,408 1.974,409 2.663,411 6.111,412 1.931,413 3.229,414 2.222,415 4.898,416 2.841,417 1.875,418 2.448,420 5.253,421 1.804,422 3.171,423 2.141,424 4.753,425 2.797,426 1.821,427 2.301,428 5.064,429 1.762,430 3.031,431 1.883,432 4.609,433 2.601,434 1.661,435 2.174,436 4.727,437 1.558,438 2.961,439 1.787,440 4.558,441 2.562,442 1.61,443 2.088,445 4.344,446 1.521,447 2.847,448 1.72,449 4.152,450 2.348,451 1.385,452 1.98,454 3.293,455 1.33,456 2.691,457 1.519,458 3.727,459 2.244,460 1.268,461 1.764,463 2.992,464 1.231,465 22.033,466 0.469,467 1.165,468 0.025,469 67,470 1.426,471 34.5,472 0.734,473 32.5,474 0.691,475 42.034,476 0.894,477 48.767,478 0.617,479 60.523,480 1.288,481 13.202,482 0.281,483 9.649,484 0.205,485 0.091,487 0.372,493 0.761,494 1.418,495 0.708,496 1.085,497 0.543,498 0.915,499 0.815,500 1.034,501 0.816,502 0.898,503 0.563,504 0.849,505 1.013,506 1.098,507 0.975,508 1.052,509 0.891,510 1.009,511 1.197,512 1.038,513 1.052,514 1.043,515 1.228,516 1.027,517 1.085,518 0.941,519 1.082,520 1.025,521 1.29,522 1.055,523 0.894,524 1.017,525 0.979,526 1.058,527 0.926,528 1.041,529 0.833,530 0.951,531 0.93,532 0.963,533 0.696,534 0.963,535 1.111,536 0.945,537 0.97,538 0.949,539 0.989,540 0.942,541 8.5,542 0.327,543 5.333,544 4.556,545 2.351,546 1.952,547 1.132,548 0.927,549 0.677,550 0.586,551 46599,552 126978,553 2.151,554 40.5,556 19,557 1,558 5,559 2,560 1,561 4,564 1.836,565 2.029,566 4.128,567 0.116,573 126.474,574 1.601,575 3.996,576 5.157,577 5.658,578 5.854,579 5.905,580 3.589,581 5.214,582 5.518,583 4.33,584 4680.97,585 9.791,586 93792.7,591 497.999,592 1.359,593 5.494,594 0.16,595 0.005,596 0.07,597 0.057,598 0.031,599 0.026,600 0.016,601 0.013,602 0.01,603 0.009,604 0.397,605 0.33,606 0.63,607 0.462,608 281.321,609 -0.051,610 -0.259,611 0.061,612 -0.09,613 -0.028,614 -0.012,615 0.041,616 0.092,617 0.051,618 0.063,619 0.05,620 0.064,621 -0.039,622 -0.057,623 -0.047,624 -0.069,625 0.001,626 -0.058,627 -0.134,628 -0.048,629 -0.073,630 -0.055,631 -0.077,632 -0.053,633 0.016,634 0.045,635 -0.101,636 -0.036,637 -0.058,638 -0.083,639 0.014,640 -0.063,641 0.013,642 -0.048,643 -0.028,644 -0.022,645 0.147,646 0.007,647 0.081,648 0.034,649 0.167,650 0.047,651 -0.098,652 -0.004,653 0.044,654 0.058,655 -0.051,656 0.073,657 2.121,658 6.515,659 0.766,660 80.676,661 1.009,662 1.124,663 1.253,664 1.57,665 0.684,666 3.989,667 4.344,668 4.663,669 4.963,670 5.198,671 5.298,672 5.525,673 5.714,674 5.855,675 6.028,676 10.437,677 0.663,678 628.75,679 3.989,680 5.557,681 6.431,682 7.327,683 8.217,684 9.119,685 10.017,686 10.923,687 11.826,688 12.736,689 10.1,695 1,696 3,697 1,699 3,703 2,704 14,705 3,709 7,710 1,711 28,716 1,726 1,729 1,731 79,733 32,734 1,735 53,737 85,738 35,739 23,740 3,741 3,742 3,746 7,747 9,751 1,755 2,756 1,758 2,761 28,762 7,763 1,766 4,771 3,773 1,775 4,781 32,782 11,783 2,784 12,790 8,794 0.714,795 4,805 3,807 1,811 2,812 5,815 2,827 1,831 2,840 5,844 2,848 47,854 4,855 2,856 1,858 1,859 2,870 5.1,873 3,875 1,877 23.167,878 14.95,879 10.139,880 4.667,881 5.735,882 1.577,883 1.02,884 8.459,885 15.678,886 4.277,887 4.888,888 5.495,889 6.095,890 6.629,891 6.912,892 7.382,893 7.812,894 8.139,895 8.588,896 0.923,897 80,898 17.446,900 7.647,901 7.787,902 33.009,904 27.591,905 2.287,906 107.5,910 353.133,911 211.931,912 94.526,914 86.435,917 211.931,918 439.568,919 94.526,920 16.793,921 48.426,922 94.334,923 201.444,924 86.475,925 16.047,926 282.506,928 353.133,929 306.457,930 86.435,933 306.049,934 133.519,937 97.278,938 144.103,939 65.076,941 353.133,942 180.96,943 211.931,946 353.133,947 55.568,948 164.511,949 36.022,950 136.791,951 353.133,952 180.96,953 211.931,955 0.588,956 0.352,957 0.195,958 0.104,959 38,960 17,961 0.071,962 6,963 2,964 1.111,965 5.563,966 515.714,967 0.111,968 36,969 257.066,974 30.606,975 12.99,976 6.223,977 1.68,978 179.061,979 24.363,980 12.752,984 4.341,985 1.93,986 36.022,987 746.025,988 71,993 39.266,995 1.747,997 -0.464,999 79.727,1000 88.806,1001 0.254,1002 0.634,1003 0.818,1004 0.898,1005 0.929,1006 0.937,1007 5.533,1008 2.196,1009 6.425,1010 7.329,1011 5.03,1012 5.578,1013 2.703,1014 7.269,1015 4.959,1016 6.746,1017 1.974,1018 8.003,1019 6.742,1020 4.635,1021 5.373,1022 2.078,1023 8.215,1024 4.54,1025 8.06,1026 1.875,1027 9.683,1028 6.111,1029 6.655,1030 7.776,1031 3.44,1032 11.361,1033 6.519,1034 9.409,1035 1.821,1036 11.422,1037 5.253,1038 7.099,1039 8.425,1040 3.478,1041 13.168,1042 6.942,1043 10.793,1044 1.661,1045 13.201,1046 5.064,1047 8.582,1048 10.303,1049 4.477,1050 15.834,1051 8.388,1052 12.202,1053 1.61,1054 15.008,1055 4.727,1056 9.413,1057 11.381,1058 4.812,1059 18.004,1060 9.198,1061 13.631,1062 1.385,1063 16.835,1064 4.344,1065 10.689,1066 13.042,1067 5.638,1068 20.514,1069 10.441,1070 3.315,1071 1.268,1072 18.679,1073 3.293,1074 11.7,1075 14.345,1076 6.121,1077 22.842,1078 11.43,1079 3.172,1080 11.949,1081 20.536,1082 2.992,1083 12.897,1084 15.919,1085 6.86,1086 25.303,1087 12.598,1088 3.039,1089 10.802,1090 22.403,1091 4.706,1092 13.992,1093 17.337,1094 7.421,1095 27.7,1096 13.668,1097 2.693,1098 10.028,1099 24.279,1100 4.126,1101 15.163,1102 18.879,1103 8.117,1104 30.15,1105 14.812,1106 2.667,1107 8.695,1108 26.162,1109 3.627,1110 16.296,1111 20.356,1112 8.721,1113 32.578,1114 15.92,1115 2.456,1116 7.752,1117 28.052,1118 3.483,1119 17.461,1120 21.889,1121 9.396,1122 35.029,1123 17.058,1124 2.426,1125 7.539,1126 29.948,1127 3.327,1128 18.614,1129 23.396,1130 10.024,1131 37.474,1132 18.184,1133 42590,1134 70569,1135 36.005,1136 54,1137 81.657,1138 83.904,1139 82.715,1140 80.503,1141 80.445,1142 105.626,1143 12.118,1144 236.515,1145 77.599,1146 5.736,1147 5.833,1148 6.8,1149 5.362,1150 5.315,1151 7.706,1152 3.348,1153 19.356,1154 5.214,1155 21.653,1156 1.541,1157 1.583,1158 1.561,1159 1.519,1160 1.518,1161 1.993,1162 0.229,1163 4.463,1164 1.464,1165 4.161,1166 4.197,1167 4.132,1168 4.049,1169 7.433,1170 4.066,1171 3.984,1172 4.004,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.926,1178 3.971,1179 3.864,1180 3.79,1181 7.425,1182 3.801,1183 3.863,1184 3.906,1185 3.808,1186 3.739,1187 5.031,1188 3.749,1189 3.797,1190 3.852,1191 3.7,1192 3.668,1193 4.913,1194 3.668,1195 3.552,1196 3.582,1197 3.507,1198 3.406,1199 4.893,1200 3.421,1201 3.469,1202 3.527,1203 3.392,1204 3.261,1205 4.846,1206 3.285,1207 3.365,1208 3.436,1209 3.281,1210 3.136,1211 4.441,1212 3.157,1213 0.089,1214 0.072,1215 0.132,1216 0.081,1217 0.063,1218 4.736,1219 0.089,1220 3.833,1221 0.037,1222 6.998,1223 0.225,1224 4.283,1225 0.061,1226 3.315,1227 4.706,1228 1.94,1229 11.949,1230 3.214,1231 1.942,1232 1.907,1233 2.069,1234 2.088,1235 1.42,1236 2.083,1237 1.884,1238 1.863,1239 1.967,1240 2.006,1241 1.101,1242 1.993,1243 1.846,1244 1.808,1245 1.947,1246 1.996,1247 1.077,1248 1.983,1249 1.816,1250 1.777,1251 1.927,1252 1.943,1253 0.979,1254 1.941,1255 1.749,1256 1.706,1257 1.892,1258 1.909,1259 0.944,1260 1.908,1261 1.652,1262 1.61,1263 1.794,1264 1.823,1265 0.886,1266 1.818,1267 1.386,1268 1.341,1269 1.618,1270 1.617,1271 0.825,1272 1.612,1273 1.316,1274 1.244,1275 1.558,1276 1.573,1277 0.683,1278 1.559,1279 4.673,1281 6.019,1282 3.045,1283 7.556,1284 5.533,1285 9.178,1286 7.719,1287 10.846,1289 3.714,1295 2.826,1296 5.461,1297 6.007,1299 -0.088,1300 3.965,1305 52.352,1306 126.474,1307 315.673,1308 407.369,1309 446.979,1310 462.489,1311 466.489,1312 92.526,1313 9.943,1314 138.49,1315 138.49,1316 40,1317 13.253,1318 5.044,1319 4.248,1320 66.632,1321 288,1322 329,1323 0.108,1324 315.322,1325 551.32,1326 761.146,1327 415999,1329 32.493,1330 0.691,1331 0.551,1332 32.493,1333 25.882,1334 22.851,1335 0.431,1336 0.288,1337 15.041,1338 21.89,1339 14.708,1340 12.159,1341 22.851,1342 15.284,1343 20.874,1344 0.275,1345 0.152,1346 20.874,1347 11.565,1348 18.385,1349 0.175,1350 0.081,1351 18.385,1352 8.545,1353 15.705,1354 0.111,1355 0.043,1356 15.705,1357 6.151,1358 12.794,1359 0.071,1360 0.024,1361 12.794,1362 4.253,1363 0.175,1364 143.784,1365 0.167,1366 41.413,1367 0.285,1368 258,1369 769.479,1370 284.476,1371 742.909,1372 1024.64,1373 696,1374 310,1375 768.182,1376 338.448,1377 776.21,1378 1139.41,1379 730,1380 5.305}
{0 CHEMBL1091711,1 1.525,2 18.478,3 4.742,4 22.488,5 179.093,6 6.9,7 0.346,8 4.614,9 4.749,10 4.129,11 4.075,12 5.583,13 4.06,14 5.225,15 5.426,16 4.517,17 4.502,18 6.168,19 4.463,20 5.511,21 5.748,22 4.578,23 4.704,24 6.369,25 4.625,26 5.585,27 5.842,28 4.517,29 4.713,30 6.457,31 4.599,32 5.567,33 5.848,34 4.489,35 4.642,36 6.481,37 4.539,38 5.399,39 5.652,40 4.481,41 4.574,42 6.277,43 4.5,44 5.339,45 5.547,46 4.516,47 4.654,48 6.266,49 4.581,50 5.527,51 5.74,52 4.509,53 4.806,54 6.412,55 4.669,56 0.035,57 1.424,58 21.233,59 7.721,60 11.137,61 11.438,62 0.673,63 2.322,64 42.334,65 13.101,66 50.796,67 19.705,68 0.744,69 2.874,70 57.306,71 16.75,72 54.575,73 26.48,74 0.604,75 2.947,76 61.913,77 19.272,78 68.365,79 30.161,80 0.928,81 2.798,82 62.387,83 17.16,84 100.036,85 28.136,86 0.569,87 2.552,88 51.448,89 14.912,90 55.919,91 23.867,92 0.746,93 2.594,94 47,95 15.075,96 52.047,97 23.002,98 0.419,99 2.904,100 55.717,101 23.149,102 62.762,103 32.544,104 18,105 74,106 0.226,107 0.502,108 0.684,109 0.77,110 0.815,111 0.818,112 3.853,113 0.961,114 -4.82,115 -4.73,116 -4.44,119 37.4,120 3,121 2,125 9,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 9,178 2,179 1,180 4,183 7,186 3,187 9,192 4,195 4,198 3,199 17,204 5,211 4,212 14,215 1,217 4,224 15,227 2,229 1,232 7,236 5,237 2,240 1,245 18,249 2,250 4,253 6,258 18,263 9,271 2,275 5022,276 31.48,277 31.48,278 31.48,279 31.48,280 31.48,281 29.318,282 52.645,283 18.366,284 32.453,285 25.696,286 25.696,287 25.696,288 25.696,289 25.696,290 22.314,291 84.654,292 8.735,293 27.302,294 4.982,295 3.123,296 1.899,297 1.314,298 1.014,299 0.992,300 4.574,306 1910,307 3.873,310 121.879,311 1010.98,312 166.352,318 2.981,319 38.756,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 99.5,331 850,332 4.439,333 3.562,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.166,342 3.466,343 6.472,344 3.932,345 3.002,346 3.704,347 0.86,348 10.061,349 2.814,350 4.145,351 3.26,352 6.162,353 3.859,354 2.916,355 3.614,356 0.86,357 9.109,358 2.754,359 4.042,360 3.178,361 6.139,362 3.777,363 2.816,364 3.205,365 0.8,366 9.032,367 2.683,368 3.869,369 2.916,370 5.889,371 3.64,372 2.692,373 3.118,374 0.8,375 8.078,376 2.545,377 3.751,378 2.866,379 5.565,380 3.535,381 2.586,382 2.978,383 0.8,384 7.619,385 2.447,386 3.635,387 2.547,388 5.369,389 3.34,390 2.386,391 2.722,392 0.8,393 6.959,394 2.27,395 3.461,396 2.467,397 5.284,398 3.141,399 2.196,400 2.629,401 0.247,402 6.598,403 2.067,404 3.291,405 2.32,406 5.086,407 2.888,408 1.902,409 2.469,411 5.839,412 1.863,413 3.089,414 2.269,415 4.957,416 2.851,417 1.879,418 2.199,420 5.451,421 1.822,422 2.879,423 2.016,424 4.678,425 2.795,426 1.877,427 1.879,428 5.094,429 1.719,430 2.79,431 1.914,432 4.388,433 2.556,434 1.583,435 1.873,436 4.238,437 1.536,438 2.753,439 1.751,440 4.288,441 2.337,442 1.414,443 1.805,445 3.859,446 1.302,447 2.5,448 1.747,449 3.906,450 2.286,451 1.367,452 1.5,454 3.091,455 1.248,456 2.5,457 1.463,458 3.82,459 2.166,460 1.28,461 1.5,463 2.874,464 1.12,465 21.6,466 0.47,467 1.109,468 0.024,469 54.75,470 1.19,471 22,472 0.478,473 32.75,474 0.712,475 50.697,476 1.102,477 51.6,478 0.567,479 46.383,480 1.008,481 10.146,482 0.221,483 12.261,484 0.267,485 0.085,487 0.352,493 0.883,494 1.678,495 0.84,496 1.304,497 0.678,498 1.096,499 1.104,500 1.101,501 0.952,502 0.975,503 0.643,504 0.949,505 1.149,506 1.078,507 1.061,508 0.969,509 0.874,510 0.986,511 0.905,512 1.193,513 0.994,514 1.114,515 0.856,516 1.073,517 0.95,518 0.906,519 0.903,520 0.805,521 1.268,522 0.826,523 1.03,524 1.045,525 0.904,526 0.88,527 1.092,528 0.861,529 0.972,530 0.924,531 1.152,532 0.977,533 0.806,534 1.052,535 0.493,536 1.201,537 1.107,538 1.48,539 0.659,540 1.41,541 9,542 0.202,543 5.333,544 2.875,545 1.663,546 1.84,547 1.331,548 0.691,549 0.471,550 0.506,551 46557,552 98099,553 2.168,554 49.5,556 30,559 2,561 13,564 1.828,565 2.06,566 4.032,567 0.127,573 138.818,574 1.525,575 3.385,576 4.609,577 5.194,578 5.494,579 5.516,580 3.475,581 4.855,582 5.493,583 4.35,584 4502.42,585 9.716,586 91883,591 592.209,592 1.302,593 5.469,594 0.173,595 0.005,596 0.072,597 0.037,598 0.024,599 0.027,600 0.019,601 0.009,602 0.007,603 0.01,604 0.383,605 0.17,606 0.63,607 0.547,608 275.906,609 -0.016,610 -0.366,611 0.091,612 -0.147,613 -0.015,614 -0.032,615 0.078,616 0.07,617 0.046,618 0.042,619 0.142,620 0.03,621 -0.11,622 0.016,623 -0.069,624 0.017,625 -0.032,626 -0.011,627 -0.022,628 -0.176,629 -0.019,630 -0.114,631 0.038,632 -0.076,633 0.026,634 0.085,635 0.101,636 0.128,637 -0.001,638 0.13,639 -0.072,640 0.019,641 0.086,642 0.095,643 -0.041,644 0.115,645 -0.045,646 0.276,647 -0.185,648 0.057,649 -0.062,650 -0.055,651 0.147,652 -0.128,653 -0.194,654 -0.337,655 0.085,656 -0.323,657 1.958,658 5.858,659 0.826,660 70.059,661 0.998,662 1.138,663 3.586,664 12.859,665 0.639,666 3.97,667 4.317,668 4.615,669 4.898,670 5.147,671 5.283,672 5.472,673 5.624,674 5.771,675 5.948,676 10.815,677 0.602,678 627.88,679 3.97,680 5.533,681 6.399,682 7.286,683 8.163,684 9.055,685 9.938,686 10.833,687 11.721,688 12.618,689 9.9,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 91,733 19,734 2,735 52,737 97,738 34,739 15,740 4,741 8,746 7,747 8,751 1,752 3,755 5,758 6,761 16,762 18,766 1,771 1,775 1,781 45,782 12,783 2,784 12,790 9,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 3,848 46,854 11,855 2,856 2,858 4,859 4,870 3.3,873 1,874 2,877 22.333,878 16.9,879 9.889,880 5.849,881 3.447,882 1.366,883 0.981,884 9.498,885 12.865,886 4.143,887 4.668,888 5.172,889 5.711,890 6.244,891 6.522,892 6.964,893 7.345,894 7.656,895 8.034,896 0.917,897 77,898 17.125,900 7.371,901 7.525,902 33.693,904 28.682,905 2.025,906 93.167,910 506.157,911 158.11,912 98.875,914 47.145,917 158.11,918 553.302,919 98.875,920 26.476,921 69.989,922 75.81,923 97.501,924 26.281,925 8.074,926 506.157,928 506.157,929 256.986,930 47.145,933 355.461,934 178.169,935 22,937 103.387,938 100.915,939 50.357,941 506.157,942 146.02,943 158.11,946 506.157,947 55.825,948 114.783,949 36.022,950 97.501,951 506.157,952 146.02,953 158.11,955 0.588,956 0.345,957 0.186,958 0.1,959 37,960 16,961 0.072,962 7,963 2,964 1.079,965 5.57,966 492.656,967 0.105,968 37,969 234.084,974 31.432,975 13.901,976 7.082,978 146.02,979 15.727,980 14.882,984 5.473,986 36.022,987 810.288,988 62,993 12.858,997 -0.292,999 90.803,1000 103.587,1001 0.234,1002 0.52,1003 0.708,1004 0.798,1005 0.844,1006 0.848,1007 5.423,1008 2.196,1009 6.385,1010 6.959,1011 5.004,1012 5.357,1013 2.534,1014 7.203,1015 4.887,1016 6.584,1017 1.902,1018 7.946,1019 6.598,1020 4.575,1021 5.047,1022 1.577,1023 8.098,1024 4.403,1025 7.87,1026 1.879,1027 9.604,1028 5.839,1029 6.608,1030 7.383,1031 2.723,1032 11.198,1033 6.369,1034 9.182,1035 1.877,1036 11.32,1037 5.451,1038 6.995,1039 7.86,1040 2.438,1041 12.935,1042 6.691,1043 10.526,1044 1.583,1045 13.074,1046 5.094,1047 8.486,1048 9.706,1049 3.344,1050 15.544,1051 8.12,1052 11.891,1053 1.414,1054 14.853,1055 4.238,1056 9.254,1057 10.56,1058 3.434,1059 17.641,1060 8.815,1061 13.272,1062 1.367,1063 16.653,1064 3.859,1065 10.522,1066 12.189,1067 4.184,1068 20.087,1069 10.021,1070 3.226,1071 1.28,1072 18.467,1073 3.091,1074 11.474,1075 13.25,1076 4.471,1077 22.344,1078 10.896,1079 3.002,1080 11.305,1081 20.293,1082 2.874,1083 12.649,1084 14.767,1085 5.119,1086 24.742,1087 12.007,1088 2.916,1089 10.061,1090 22.129,1091 4.06,1092 13.69,1093 15.951,1094 5.505,1095 27.073,1096 12.971,1097 2.816,1098 9.109,1099 23.974,1100 3.704,1101 14.831,1102 17.406,1103 6.093,1104 29.461,1105 14.043,1106 2.692,1107 9.032,1108 25.825,1109 3.614,1110 15.917,1111 18.665,1112 6.531,1113 31.828,1114 15.051,1115 2.586,1116 8.078,1117 27.683,1118 3.205,1119 17.047,1120 20.086,1121 7.084,1122 34.22,1123 16.11,1124 2.386,1125 7.619,1126 29.546,1127 3.118,1128 18.157,1129 21.393,1130 7.551,1131 36.606,1132 17.142,1133 42296,1134 61753,1135 35.6,1136 58.12,1137 79.033,1138 80.005,1139 80.547,1140 78.434,1141 78.44,1142 92.666,1143 13.646,1144 228.078,1145 73.994,1146 5.439,1147 5.562,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 20.048,1156 1.52,1157 1.539,1158 1.549,1159 1.508,1160 1.508,1161 1.782,1162 0.262,1163 4.386,1164 1.423,1165 4.054,1166 4.105,1167 4.003,1168 3.918,1169 7.431,1170 3.929,1171 3.958,1172 4.009,1173 3.895,1174 3.845,1175 5.079,1176 3.85,1177 3.902,1178 3.944,1179 3.825,1180 3.777,1181 4.767,1182 3.784,1183 3.822,1184 3.877,1185 3.729,1186 3.63,1187 4.7,1188 3.644,1189 3.781,1190 3.84,1191 3.674,1192 3.613,1193 4.633,1194 3.62,1195 3.595,1196 3.653,1197 3.529,1198 3.371,1199 4.601,1200 3.406,1201 3.492,1202 3.57,1203 3.373,1204 3.314,1205 4.38,1206 3.305,1207 3.365,1208 3.415,1209 3.253,1210 3.101,1211 4.102,1212 3.145,1213 0.085,1214 0.069,1215 0.131,1216 0.08,1217 0.062,1218 4.439,1219 0.078,1220 3.562,1221 0.032,1222 6.819,1223 0.217,1224 4.152,1225 0.057,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.937,1232 1.904,1233 2.057,1234 2.083,1235 1.335,1236 2.075,1237 1.916,1238 1.881,1239 2.019,1240 2.069,1241 1.255,1242 2.053,1243 1.775,1244 1.719,1245 1.958,1246 1.978,1247 1.245,1248 1.974,1249 1.756,1250 1.692,1251 1.95,1252 1.931,1253 1.196,1254 1.938,1255 1.679,1256 1.627,1257 1.86,1258 1.907,1259 1.104,1260 1.896,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.091,1266 1.798,1267 1.496,1268 1.421,1269 1.783,1270 1.724,1271 0.982,1272 1.739,1273 1.449,1274 1.393,1275 1.64,1276 1.687,1277 0.894,1278 1.665,1279 4.654,1281 5.994,1282 2.398,1283 7.527,1284 4.844,1285 9.143,1286 6.986,1287 10.804,1289 6.631,1295 9.723,1296 5.904,1297 11.505,1299 1.309,1300 9.445,1305 54.819,1306 138.818,1307 308.055,1308 419.441,1309 472.66,1310 499.945,1311 501.945,1312 74.7,1313 9.418,1314 111.22,1315 111.22,1316 41,1317 13.144,1318 4.322,1319 3.459,1320 64.786,1321 302,1322 334,1323 0.102,1324 329.02,1325 576.51,1326 794.568,1327 217778,1329 31.622,1330 0.687,1331 0.588,1332 31.622,1333 27.062,1334 22.407,1335 0.431,1336 0.32,1337 16.37,1338 21.365,1339 15.988,1340 13.143,1341 22.407,1342 16.651,1343 20.576,1344 0.278,1345 0.176,1346 20.576,1347 13.026,1348 17.638,1349 0.176,1350 0.096,1351 17.638,1352 9.643,1353 15.141,1354 0.114,1355 0.052,1356 15.141,1357 6.954,1358 12.299,1359 0.072,1360 0.027,1361 12.299,1362 4.605,1363 0.166,1364 141.248,1365 0.168,1366 40.972,1367 0.261,1368 252,1369 663.388,1370 281.452,1371 630.707,1372 881.81,1373 598,1374 300,1375 664.839,1376 330.731,1377 666.38,1378 988.2,1379 629,1380 6.013}
{0 CHEMBL1091712,1 1.525,2 18.478,3 4.169,4 17.383,5 179.328,6 6.9,7 0.346,8 4.614,9 4.749,10 4.129,11 4.075,12 5.585,13 4.06,14 5.225,15 5.426,16 4.513,17 4.508,18 6.163,19 4.467,20 5.508,21 5.741,22 4.58,23 4.711,24 6.367,25 4.629,26 5.604,27 5.869,28 4.518,29 4.713,30 6.47,31 4.598,32 5.552,33 5.829,34 4.487,35 4.641,36 6.472,37 4.539,38 5.402,39 5.654,40 4.482,41 4.581,42 6.279,43 4.505,44 5.348,45 5.56,46 4.518,47 4.654,48 6.273,49 4.58,50 5.524,51 5.738,52 4.508,53 4.8,54 6.41,55 4.665,56 0.035,57 1.424,58 21.233,59 7.721,60 11.412,61 11.438,62 0.69,63 2.321,64 42.356,65 13.173,66 50.338,67 19.733,68 0.659,69 2.88,70 56.796,71 17.095,72 53.482,73 26.857,74 0.693,75 2.971,76 63.584,77 19.25,78 70.922,79 30.364,80 0.906,81 2.776,82 61.273,83 17.109,84 98.546,85 27.854,86 0.551,87 2.56,88 51.493,89 15.185,90 56.034,91 24.166,92 0.753,93 2.605,94 47.552,95 15.083,96 52.826,97 23.135,98 0.411,99 2.896,100 55.644,101 22.756,102 62.4,103 32.187,104 18,105 74,106 0.226,107 0.508,108 0.704,109 0.784,110 0.815,111 0.818,112 3.853,113 0.956,114 -4.82,115 -4.73,116 -4.44,119 37.4,120 1,121 4,124 2,125 7,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 11,178 2,179 1,180 4,183 7,186 2,187 9,192 4,195 4,198 4,199 17,204 5,207 4,211 4,212 10,215 1,217 4,220 4,224 15,227 2,229 1,232 7,236 5,237 4,240 1,242 2,245 14,249 2,250 4,253 5,258 14,263 11,266 1,268 2,271 2,275 5022,276 31.48,277 31.48,278 31.48,279 31.48,280 31.48,281 29.318,282 53.571,283 18.366,284 32.433,285 25.696,286 25.696,287 25.696,288 25.696,289 25.696,290 22.314,291 88.189,292 8.735,293 27.266,294 4.982,295 3.083,296 1.759,297 1.223,298 1.014,299 0.992,300 4.574,306 1910,307 3.873,310 121.879,311 1010.98,312 166.352,318 2.981,319 38.074,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 99.5,331 850,332 4.439,333 3.562,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.166,342 3.466,343 6.472,344 3.932,345 3.002,346 3.704,347 0.86,348 10.061,349 2.814,350 4.145,351 3.26,352 6.162,353 3.865,354 2.916,355 3.614,356 0.86,357 9.109,358 2.769,359 4.042,360 3.146,361 6.139,362 3.777,363 2.816,364 3.205,365 0.8,366 9.032,367 2.684,368 3.869,369 2.899,370 5.889,371 3.649,372 2.692,373 3.118,374 0.8,375 8.078,376 2.572,377 3.751,378 2.866,379 5.565,380 3.536,381 2.586,382 2.978,383 0.8,384 7.619,385 2.452,386 3.635,387 2.548,388 5.369,389 3.339,390 2.386,391 2.722,392 0.8,393 6.959,394 2.267,395 3.461,396 2.471,397 5.284,398 3.141,399 2.196,400 2.629,401 0.247,402 6.598,403 2.066,404 3.291,405 2.32,406 5.086,407 2.886,408 1.902,409 2.469,411 5.839,412 1.86,413 3.089,414 2.269,415 4.957,416 2.851,417 1.879,418 2.199,420 5.451,421 1.822,422 2.879,423 2.016,424 4.678,425 2.795,426 1.877,427 1.879,428 5.094,429 1.719,430 2.79,431 1.914,432 4.388,433 2.543,434 1.583,435 1.873,436 4.238,437 1.514,438 2.753,439 1.788,440 4.288,441 2.337,442 1.414,443 1.805,445 3.859,446 1.302,447 2.5,448 1.747,449 3.906,450 2.286,451 1.367,452 1.5,454 3.091,455 1.248,456 2.5,457 1.463,458 3.82,459 2.166,460 1.28,461 1.5,463 2.874,464 1.12,465 21.6,466 0.47,467 1.109,468 0.024,469 54.75,470 1.19,471 22,472 0.478,473 32.75,474 0.712,475 50.187,476 1.091,477 51.6,478 0.567,479 46.892,480 1.019,481 10.21,482 0.222,483 12.197,484 0.265,485 0.085,487 0.352,493 0.883,494 1.678,495 0.84,496 1.304,497 0.668,498 1.096,499 1.117,500 1.045,501 0.959,502 0.944,503 0.647,504 0.933,505 1.101,506 1.172,507 1.059,508 1.046,509 0.866,510 1.038,511 0.928,512 1.111,513 0.982,514 1.043,515 0.85,516 1.021,517 0.948,518 0.912,519 0.914,520 0.821,521 1.289,522 0.843,523 1.001,524 1.062,525 0.901,526 0.904,527 1.087,528 0.878,529 0.97,530 0.932,531 1.141,532 0.971,533 0.795,534 1.043,535 0.529,536 1.214,537 1.111,538 1.468,539 0.665,540 1.399,541 9,542 0.202,543 5.333,544 2.875,545 1.663,546 1.84,547 1.331,548 0.691,549 0.471,550 0.506,551 46557,552 98383,553 2.168,554 49.5,556 32,559 2,561 7,562 4,564 1.828,565 2.06,566 4.032,567 0.127,573 138.818,574 1.525,575 3.425,576 4.749,577 5.285,578 5.494,579 5.516,580 3.475,581 4.855,582 5.493,583 4.35,584 4502.42,585 9.716,586 91883,591 592.209,592 1.302,593 5.469,594 0.173,595 0.005,596 0.072,597 0.037,598 0.024,599 0.027,600 0.019,601 0.009,602 0.007,603 0.01,604 0.383,605 0.17,606 0.63,607 0.547,608 275.906,609 -0.016,610 -0.366,611 0.091,612 -0.147,613 -0.005,614 -0.032,615 0.064,616 0.127,617 0.039,618 0.073,619 0.135,620 0.047,621 -0.098,622 -0.078,623 -0.075,624 -0.041,625 -0.028,626 -0.051,627 -0.022,628 -0.104,629 0.001,630 -0.062,631 0.038,632 -0.034,633 0.025,634 0.087,635 0.087,636 0.119,637 -0.009,638 0.118,639 -0.061,641 0.085,642 0.079,643 -0.039,644 0.103,645 -0.041,646 0.261,647 -0.172,648 0.056,649 -0.053,650 -0.049,651 0.126,652 -0.14,653 -0.194,654 -0.331,655 0.081,656 -0.316,657 1.957,658 5.859,659 0.826,660 70.059,661 0.998,662 1.138,663 3.586,664 12.859,665 0.639,666 3.97,667 4.317,668 4.615,669 4.898,670 5.147,671 5.283,672 5.472,673 5.624,674 5.771,675 5.948,676 10.815,677 0.602,678 627.88,679 3.97,680 5.533,681 6.399,682 7.286,683 8.163,684 9.055,685 9.938,686 10.833,687 11.721,688 12.618,689 9.9,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 91,733 19,734 2,735 52,737 97,738 34,739 15,740 4,741 8,746 7,747 8,751 1,752 1,755 8,758 8,761 16,762 18,766 1,771 1,775 1,781 45,782 12,783 2,784 12,790 9,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 3,848 46,854 11,855 2,856 2,858 4,859 4,870 3.3,873 1,874 2,877 22.333,878 16.9,879 9.889,880 5.715,881 3.447,882 1.366,883 0.981,884 9.498,885 12.865,886 4.143,887 4.668,888 5.172,889 5.711,890 6.244,891 6.522,892 6.964,893 7.345,894 7.656,895 8.034,896 0.917,897 77,898 17.122,900 7.371,901 7.525,902 33.693,904 28.717,905 2.025,906 93.167,910 506.157,911 158.11,912 98.875,914 47.145,917 158.11,918 553.302,919 98.875,920 25.618,921 70.846,922 75.81,923 97.501,924 26.281,925 8.074,926 506.157,928 506.157,929 256.986,930 47.145,933 379.003,934 154.627,935 22,937 86.594,938 117.707,939 50.357,941 506.157,942 146.02,943 158.11,946 506.157,947 56.683,948 113.925,949 36.022,950 97.501,951 506.157,952 146.02,953 158.11,955 0.588,956 0.345,957 0.186,958 0.1,959 37,960 16,961 0.072,962 7,963 2,964 1.079,965 5.57,966 492.656,967 0.105,968 37,969 232.084,974 31.432,975 13.901,976 7.082,978 146.02,979 15.745,980 14.882,984 5.485,986 36.022,987 810.288,988 62,993 12.859,997 -0.291,999 90.803,1000 103.587,1001 0.234,1002 0.526,1003 0.73,1004 0.812,1005 0.844,1006 0.848,1007 5.423,1008 2.196,1009 6.385,1010 6.959,1011 5.004,1012 5.357,1013 2.534,1014 7.203,1015 4.89,1016 6.584,1017 1.902,1018 7.946,1019 6.598,1020 4.575,1021 5.047,1022 1.577,1023 8.098,1024 4.403,1025 7.87,1026 1.879,1027 9.604,1028 5.839,1029 6.608,1030 7.383,1031 2.723,1032 11.198,1033 6.378,1034 9.182,1035 1.877,1036 11.32,1037 5.451,1038 6.995,1039 7.86,1040 2.438,1041 12.935,1042 6.697,1043 10.526,1044 1.583,1045 13.074,1046 5.094,1047 8.486,1048 9.706,1049 3.344,1050 15.544,1051 8.133,1052 11.891,1053 1.414,1054 14.853,1055 4.238,1056 9.254,1057 10.56,1058 3.434,1059 17.641,1060 8.826,1061 13.272,1062 1.367,1063 16.653,1064 3.859,1065 10.522,1066 12.189,1067 4.184,1068 20.087,1069 10.037,1070 3.226,1071 1.28,1072 18.467,1073 3.091,1074 11.474,1075 13.25,1076 4.471,1077 22.344,1078 10.911,1079 3.002,1080 11.305,1081 20.293,1082 2.874,1083 12.649,1084 14.767,1085 5.119,1086 24.742,1087 12.026,1088 2.916,1089 10.061,1090 22.129,1091 4.06,1092 13.69,1093 15.951,1094 5.505,1095 27.073,1096 12.989,1097 2.816,1098 9.109,1099 23.974,1100 3.704,1101 14.831,1102 17.406,1103 6.093,1104 29.461,1105 14.063,1106 2.692,1107 9.032,1108 25.825,1109 3.614,1110 15.917,1111 18.665,1112 6.531,1113 31.828,1114 15.071,1115 2.586,1116 8.078,1117 27.683,1118 3.205,1119 17.047,1120 20.086,1121 7.084,1122 34.22,1123 16.131,1124 2.386,1125 7.619,1126 29.546,1127 3.118,1128 18.157,1129 21.393,1130 7.551,1131 36.606,1132 17.162,1133 42296,1134 61829,1135 35.6,1136 58.12,1137 79.033,1138 79.883,1139 80.547,1140 78.459,1141 78.44,1142 92.666,1143 13.646,1144 228.078,1145 74.057,1146 5.439,1147 5.562,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 20.048,1156 1.52,1157 1.536,1158 1.549,1159 1.509,1160 1.508,1161 1.782,1162 0.262,1163 4.386,1164 1.424,1165 4.055,1166 4.106,1167 4.003,1168 3.921,1169 7.431,1170 3.931,1171 3.962,1172 4.011,1173 3.897,1174 3.85,1175 5.079,1176 3.854,1177 3.903,1178 3.944,1179 3.825,1180 3.777,1181 4.766,1182 3.784,1183 3.823,1184 3.877,1185 3.73,1186 3.657,1187 4.7,1188 3.657,1189 3.788,1190 3.842,1191 3.681,1192 3.622,1193 4.633,1194 3.638,1195 3.593,1196 3.651,1197 3.529,1198 3.37,1199 4.601,1200 3.405,1201 3.456,1202 3.543,1203 3.363,1204 3.199,1205 4.382,1206 3.22,1207 3.357,1208 3.413,1209 3.226,1210 3.095,1211 4.123,1212 3.125,1213 0.085,1214 0.069,1215 0.131,1216 0.08,1217 0.062,1218 4.439,1219 0.078,1220 3.562,1221 0.032,1222 6.819,1223 0.217,1224 4.152,1225 0.057,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.94,1232 1.906,1233 2.077,1234 2.084,1235 1.418,1236 2.083,1237 1.922,1238 1.887,1239 2.02,1240 2.072,1241 1.255,1242 2.054,1243 1.781,1244 1.725,1245 1.958,1246 1.978,1247 1.245,1248 1.974,1249 1.77,1250 1.716,1251 1.946,1252 1.931,1253 1.196,1254 1.937,1255 1.679,1256 1.627,1257 1.86,1258 1.907,1259 1.102,1260 1.896,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.074,1266 1.798,1267 1.453,1268 1.399,1269 1.718,1270 1.715,1271 0.894,1272 1.703,1273 1.404,1274 1.308,1275 1.64,1276 1.674,1277 0.825,1278 1.664,1279 4.654,1281 5.994,1282 2.398,1283 7.527,1284 4.844,1285 9.143,1286 6.986,1287 10.804,1289 6.446,1295 9.974,1296 5.907,1297 11.505,1299 1.378,1300 9.275,1305 54.819,1306 138.818,1307 311.665,1308 432.17,1309 480.925,1310 499.945,1311 501.945,1312 75.472,1313 9.418,1314 111.22,1315 111.22,1316 41,1317 13.144,1318 4.322,1319 3.459,1320 64.786,1321 302,1322 334,1323 0.102,1324 329.02,1325 576.51,1326 794.568,1327 217778,1329 31.622,1330 0.687,1331 0.588,1332 31.622,1333 27.062,1334 22.407,1335 0.431,1336 0.319,1337 16.285,1338 21.358,1339 15.9,1340 13.085,1341 22.407,1342 16.575,1343 20.576,1344 0.278,1345 0.177,1346 20.576,1347 13.091,1348 17.638,1349 0.176,1350 0.098,1351 17.638,1352 9.794,1353 15.141,1354 0.114,1355 0.053,1356 15.141,1357 7.098,1358 12.299,1359 0.072,1360 0.028,1361 12.299,1362 4.746,1363 0.166,1364 141.417,1365 0.168,1366 40.972,1367 0.261,1368 252,1369 663.388,1370 280.786,1371 631.494,1372 880.13,1373 598,1374 300,1375 660.134,1376 330.343,1377 664.848,1378 983.08,1379 625,1380 6.354}
{0 CHEMBL1091713,1 1.559,2 19.25,3 3.994,4 15.951,5 183.038,6 7.053,7 0.333,8 4.636,9 4.768,10 4.166,11 4.1,12 5.636,13 4.089,14 5.245,15 5.441,16 4.556,17 4.526,18 6.224,19 4.491,20 5.531,21 5.761,22 4.631,23 4.723,24 6.448,25 4.654,26 5.612,27 5.861,28 4.577,29 4.715,30 6.575,31 4.621,32 5.566,33 5.834,34 4.542,35 4.645,36 6.56,37 4.563,38 5.412,39 5.649,40 4.538,41 4.623,42 6.342,43 4.552,44 5.416,45 5.629,46 4.564,47 4.696,48 6.38,49 4.623,50 5.551,51 5.76,52 4.554,53 4.807,54 6.552,55 4.681,56 0.03,57 1.451,58 21.049,59 7.908,60 11.558,61 11.456,62 0.727,63 2.363,64 42.51,65 13.432,66 53.962,67 19.821,68 0.751,69 2.919,70 57.928,71 17.239,72 62.303,73 26.656,74 0.747,75 2.97,76 64.048,77 19.221,78 95.192,79 29.622,80 1.095,81 2.802,82 62.626,83 16.588,84 121.891,85 26.847,86 0.615,87 2.631,88 51.221,89 15.821,90 62.838,91 24.411,92 0.717,93 2.711,94 50.462,95 16.362,96 62.567,97 24.55,98 0.753,99 2.917,100 57.397,101 22.901,102 117.723,103 31.986,104 27,105 77,106 0.23,107 0.512,108 0.693,109 0.771,110 0.808,111 0.818,112 3.894,113 0.95,114 -4.62,115 -4.54,116 -4.27,119 37.6,120 3,121 2,125 9,127 4,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 9,174 8,175 9,178 2,179 1,180 4,183 9,186 3,187 11,192 4,195 4,198 3,199 21,204 6,211 5,212 13,217 4,224 16,227 4,229 2,232 7,236 4,237 6,245 16,249 4,250 4,253 7,258 20,263 7,266 1,271 8,275 5478,276 32.687,277 32.687,278 32.687,279 32.687,280 32.687,281 30.433,282 51.102,283 19.008,284 33.64,285 26.653,286 26.653,287 26.653,288 26.653,289 26.653,290 23.063,291 79.531,292 9.023,293 28.197,294 4.981,295 3.069,296 1.841,297 1.312,298 1.057,299 0.992,300 4.612,306 2067,307 4.243,310 129.88,311 1074.91,312 177.21,318 3.104,319 48.64,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 104.5,331 924,332 4.439,333 3.696,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.268,342 3.562,343 6.472,344 3.971,345 3.002,346 3.802,347 1.2,348 10.061,349 2.93,350 4.154,351 3.466,352 6.396,353 3.932,354 2.994,355 3.616,356 0.86,357 9.685,358 2.814,359 4.045,360 3.26,361 6.139,362 3.778,363 2.817,364 3.232,365 0.86,366 9.032,367 2.685,368 3.917,369 3.028,370 5.913,371 3.668,372 2.723,373 3.191,374 0.8,375 8.149,376 2.567,377 3.778,378 2.867,379 5.578,380 3.58,381 2.623,382 3.059,383 0.8,384 7.652,385 2.497,386 3.696,387 2.59,388 5.391,389 3.387,390 2.428,391 2.758,392 0.8,393 7.034,394 2.326,395 3.492,396 2.514,397 5.311,398 3.165,399 2.218,400 2.66,401 0.293,402 6.62,403 2.093,404 3.345,405 2.325,406 5.147,407 3.02,408 2.06,409 2.522,410 0.247,411 6.128,412 1.969,413 3.138,414 2.271,415 5.086,416 2.851,417 1.881,418 2.257,420 5.839,421 1.822,422 3.089,423 2.269,424 4.956,425 2.805,426 1.879,427 2.198,428 5.449,429 1.781,430 2.879,431 2.016,432 4.637,433 2.791,434 1.807,435 1.879,436 4.954,437 1.719,438 2.763,439 1.914,440 4.296,441 2.338,442 1.414,443 1.864,445 3.875,446 1.305,447 2.527,448 1.87,449 3.92,450 2.298,451 1.371,452 1.5,454 3.112,455 1.274,456 2.5,457 1.747,458 3.905,459 2.271,460 1.303,461 1.5,463 3.089,464 1.243,465 22.433,466 0.467,467 1.198,468 0.025,469 57,470 1.188,471 23,472 0.479,473 34,474 0.708,475 52.938,476 1.103,477 53.767,478 0.578,479 50.695,480 1.056,481 10.687,482 0.223,483 12.631,484 0.263,485 0.097,487 0.361,493 0.829,494 1.663,495 0.816,496 1.297,497 0.603,498 1.084,499 0.997,500 1.075,501 0.927,502 0.966,503 0.585,504 0.941,505 1.08,506 1.102,507 1.03,508 0.998,509 0.815,510 0.992,511 1.068,512 1.176,513 1.005,514 1.077,515 1.172,516 1.039,517 1.103,518 0.889,519 0.947,520 0.76,521 1.408,522 0.804,523 0.892,524 1.066,525 0.923,526 0.958,527 0.874,528 0.935,529 0.964,530 0.984,531 1.106,532 1.013,533 0.863,534 1.053,535 0.597,536 1.114,537 1.104,538 1.373,539 0.818,540 1.345,541 9.5,542 0.255,543 5.778,544 3.375,545 1.983,546 1.84,547 1.372,548 0.802,549 0.492,550 0.52,551 52439,552 117600,553 2.148,554 48.4,556 30,559 2,561 13,564 1.838,565 2.028,566 4.098,567 0.127,573 144.954,574 1.559,575 3.47,576 4.698,577 5.227,578 5.483,579 5.547,580 3.544,581 4.689,582 5.555,583 4.415,584 4979.56,585 9.837,586 105794,591 608.142,592 1.349,593 5.525,594 0.176,595 0.006,596 0.075,597 0.042,598 0.027,599 0.025,600 0.018,601 0.01,602 0.007,603 0.01,604 0.396,605 0.17,606 0.63,607 0.573,608 292.075,609 -0.027,610 -0.357,611 0.084,612 -0.143,613 -0.019,614 -0.032,615 0.087,616 0.095,617 0.049,618 0.051,619 0.104,620 0.036,621 -0.094,622 -0.012,623 -0.05,624 -0.007,625 -0.005,626 -0.015,627 -0.067,628 -0.171,629 -0.015,630 -0.093,631 -0.022,632 -0.055,633 -0.038,634 0.115,635 0.068,636 0.164,637 -0.077,638 0.142,639 -0.026,640 0.021,641 0.043,642 0.043,643 -0.027,644 0.055,645 -0.077,646 0.167,647 -0.153,648 0.018,649 -0.052,650 -0.056,651 0.177,652 -0.058,653 -0.179,654 -0.256,655 0.149,656 -0.28,657 2.041,658 6.006,659 0.792,660 75.958,661 1.001,662 1.138,663 3.389,664 11.489,665 0.641,666 4.007,667 4.357,668 4.654,669 4.927,670 5.17,671 5.303,672 5.489,673 5.638,674 5.771,675 5.938,676 11.299,677 0.608,678 655.89,679 4.007,680 5.572,681 6.438,682 7.324,683 8.202,684 9.093,685 9.977,686 10.871,687 11.759,688 12.656,689 9.7,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 93,733 20,734 2,735 54,737 99,738 35,739 15,740 4,741 8,742 1,746 7,747 8,751 1,752 3,755 5,758 6,761 17,762 18,766 2,771 2,775 2,781 45,782 13,783 2,784 13,790 9,794 0.857,795 4,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 3,848 48,854 11,855 2,856 2,858 4,859 4,870 4.3,873 2,874 2,877 23.667,878 17.317,879 10.333,880 5.953,881 3.494,882 1.368,883 0.976,884 10.009,885 12.979,886 4.19,887 4.714,888 5.222,889 5.745,890 6.268,891 6.556,892 6.988,893 7.355,894 7.65,895 8.028,896 1,897 81,898 17.904,900 7.759,901 7.622,902 34.845,904 29.575,905 2.122,906 101.833,910 506.157,911 163.244,912 98.875,914 72.29,917 163.244,918 578.447,919 98.875,920 26.476,921 73.113,922 75.81,923 127.351,924 23.586,925 8.074,926 506.157,928 506.157,929 262.119,930 72.29,933 355.461,934 203.314,935 22,937 106.511,938 102.924,939 50.357,941 506.157,942 171.165,943 163.244,946 506.157,947 60.958,948 114.783,949 36.022,950 122.646,951 506.157,952 171.165,953 163.244,955 0.589,956 0.347,957 0.185,958 0.098,959 38,960 17,961 0.071,962 7,963 2,964 1.079,965 5.698,966 519.018,967 0.105,968 37,969 248.078,974 33.025,975 14.548,976 7.424,978 171.165,979 14.548,980 14.837,984 4.608,986 36.022,987 840.566,988 65,993 25.865,997 -0.357,999 93.13,1000 105.796,1001 0.238,1002 0.531,1003 0.718,1004 0.799,1005 0.838,1006 0.848,1007 5.47,1008 2.218,1009 6.428,1010 7.034,1011 5.043,1012 5.403,1013 2.675,1014 7.249,1015 4.937,1016 6.637,1017 2.06,1018 7.994,1019 6.62,1020 4.635,1021 5.121,1022 1.577,1023 8.155,1024 4.487,1025 7.926,1026 1.881,1027 9.657,1028 6.128,1029 6.653,1030 7.435,1031 2.906,1032 11.256,1033 6.438,1034 9.242,1035 1.879,1036 11.378,1037 5.839,1038 7.057,1039 7.942,1040 2.49,1041 12.995,1042 6.795,1043 10.59,1044 1.807,1045 13.135,1046 5.449,1047 8.538,1048 9.766,1049 3.489,1050 15.609,1051 8.214,1052 11.959,1053 1.414,1054 14.919,1055 4.954,1056 9.317,1057 10.646,1058 3.482,1059 17.703,1060 8.939,1061 13.345,1062 1.371,1063 16.722,1064 3.875,1065 10.58,1066 12.259,1067 4.274,1068 20.154,1069 10.142,1070 3.226,1071 1.303,1072 18.539,1073 3.112,1074 11.54,1075 13.339,1076 4.502,1077 22.408,1078 11.042,1079 3.002,1080 11.305,1081 20.368,1082 3.089,1083 12.713,1084 14.844,1085 5.169,1086 24.806,1087 12.157,1088 2.994,1089 10.061,1090 22.207,1091 4.06,1092 13.759,1093 16.041,1094 5.524,1095 27.133,1096 13.14,1097 2.817,1098 9.685,1099 24.054,1100 3.802,1101 14.899,1102 17.489,1103 6.119,1104 29.52,1105 14.22,1106 2.723,1107 9.032,1108 25.908,1109 3.616,1110 15.987,1111 18.757,1112 6.542,1113 31.882,1114 15.244,1115 2.623,1116 8.149,1117 27.767,1118 3.232,1119 17.118,1120 20.173,1121 7.097,1122 34.271,1123 16.312,1124 2.428,1125 7.652,1126 29.631,1127 3.191,1128 18.228,1129 21.485,1130 7.557,1131 36.653,1132 17.356,1133 47846,1134 71961,1135 36.698,1136 59.574,1137 82.366,1138 84.219,1139 84.108,1140 81.584,1141 81.57,1142 96.829,1143 15.032,1144 237.764,1145 77.349,1146 5.439,1147 5.696,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 22.951,1156 1.525,1157 1.56,1158 1.558,1159 1.511,1160 1.511,1161 1.793,1162 0.278,1163 4.403,1164 1.432,1165 4.055,1166 4.104,1167 4.004,1168 3.92,1169 7.432,1170 3.931,1171 3.957,1172 3.999,1173 3.903,1174 3.852,1175 7.427,1176 3.857,1177 3.902,1178 3.944,1179 3.826,1180 3.778,1181 5.079,1182 3.784,1183 3.83,1184 3.89,1185 3.733,1186 3.65,1187 4.734,1188 3.658,1189 3.811,1190 3.864,1191 3.711,1192 3.621,1193 4.695,1194 3.638,1195 3.598,1196 3.655,1197 3.534,1198 3.373,1199 4.633,1200 3.408,1201 3.528,1202 3.599,1203 3.419,1204 3.343,1205 4.601,1206 3.342,1207 3.395,1208 3.442,1209 3.301,1210 3.137,1211 4.387,1212 3.179,1213 0.082,1214 0.068,1215 0.126,1216 0.077,1217 0.06,1218 4.439,1219 0.075,1220 3.696,1221 0.031,1222 6.819,1223 0.209,1224 4.152,1225 0.055,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.936,1232 1.906,1233 2.041,1234 2.08,1235 1.324,1236 2.063,1237 1.914,1238 1.886,1239 2.019,1240 2.061,1241 1.255,1242 2.05,1243 1.788,1244 1.722,1245 1.979,1246 1.987,1247 1.245,1248 1.984,1249 1.773,1250 1.716,1251 1.955,1252 1.952,1253 1.196,1254 1.958,1255 1.679,1256 1.627,1257 1.86,1258 1.91,1259 1.105,1260 1.897,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.09,1266 1.798,1267 1.519,1268 1.446,1269 1.803,1270 1.741,1271 1.014,1272 1.761,1273 1.451,1274 1.398,1275 1.64,1276 1.701,1277 0.894,1278 1.669,1279 4.691,1281 6.033,1282 2.398,1283 7.567,1284 4.844,1285 9.184,1286 6.986,1287 10.843,1289 6.48,1295 8.66,1296 5.756,1297 11.491,1299 1.16,1300 8.785,1305 56.534,1306 144.954,1307 322.743,1308 436.883,1309 486.103,1310 509.877,1311 515.877,1312 89.607,1313 9.485,1314 128.29,1315 128.29,1316 41,1317 13.182,1318 4.392,1319 3.585,1320 69.094,1321 334,1322 352,1323 0.099,1324 339.681,1325 599.96,1326 820.581,1327 239794,1329 33.2,1330 0.692,1331 0.583,1332 33.2,1333 27.97,1334 23.318,1335 0.432,1336 0.317,1337 16.811,1338 22.214,1339 16.426,1340 13.5,1341 23.318,1342 17.105,1343 21.435,1344 0.278,1345 0.174,1346 21.435,1347 13.362,1348 18.458,1349 0.177,1350 0.095,1351 18.458,1352 9.83,1353 15.635,1354 0.114,1355 0.051,1356 15.635,1357 7.022,1358 12.573,1359 0.072,1360 0.027,1361 12.573,1362 4.641,1363 0.163,1364 147.289,1365 0.165,1366 42.438,1367 0.252,1368 262,1369 727.124,1370 293.667,1371 688.568,1372 952.01,1373 650,1374 312,1375 708.475,1376 345.057,1377 709.696,1378 1052.48,1379 669,1380 6.991}
{0 CHEMBL1091714,1 1.587,2 18.444,3 3.243,4 10.518,5 170.944,6 7.161,7 0.36,8 4.558,9 4.691,10 4.094,11 4.008,12 5.594,13 4.004,14 5.147,15 5.342,16 4.464,17 4.419,18 6.167,19 4.39,20 5.405,21 5.628,22 4.522,23 4.596,24 6.365,25 4.531,26 5.49,27 5.75,28 4.475,29 4.555,30 6.471,31 4.474,32 5.379,33 5.634,34 4.461,35 4.481,36 6.444,37 4.433,38 5.255,39 5.461,40 4.495,41 4.518,42 6.278,43 4.47,44 5.357,45 5.561,46 4.511,47 4.64,48 6.353,49 4.573,50 5.5,51 5.71,52 4.503,53 4.773,54 6.486,55 4.639,56 0.062,57 1.34,58 19.102,59 7.053,60 11.441,61 10.239,62 0.754,63 2.121,64 38.303,65 11.956,66 54.893,67 17.508,68 0.701,69 2.565,70 50.499,71 15.223,72 62.224,73 23.349,74 0.791,75 2.586,76 57.382,77 15.848,78 91.271,79 25.262,80 1.074,81 2.388,82 51.646,83 12.372,84 110.463,85 20.552,86 0.529,87 2.338,88 42.348,89 13.431,90 55.46,91 20.267,92 0.833,93 2.555,94 47.206,95 14.959,96 71.43,97 22.21,98 0.64,99 2.803,100 53.415,101 22.382,102 102.72,103 31.275,104 31,105 70,106 0.238,107 0.544,108 0.727,109 0.793,110 0.82,111 0.83,112 3.832,113 0.931,114 -4.07,115 -4.02,116 -3.8,119 37.2,120 1,121 2,124 2,125 7,127 3,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 9,174 7,175 6,178 3,179 1,180 5,183 8,186 2,187 9,190 1,192 6,195 4,198 3,199 19,204 8,211 5,212 11,217 4,224 16,227 3,228 1,229 2,232 7,236 4,237 4,245 14,249 3,250 4,253 7,254 1,258 16,263 7,266 1,271 4,275 4889,276 30.532,277 30.532,278 30.532,279 30.532,280 30.532,281 28.254,282 46.206,283 18.025,284 31.422,285 24.718,286 24.718,287 24.718,288 24.718,289 24.718,290 21.099,291 70.042,292 8.609,293 26.147,294 4.839,295 2.793,296 1.573,297 1.137,298 0.957,299 0.887,300 4.543,306 1830,307 4.472,310 119.791,311 817.681,312 163.354,318 3.017,319 45.948,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 98.5,331 830,332 4.439,333 3.568,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.197,342 3.55,343 6.472,344 3.932,345 3.002,346 3.774,347 1.058,348 10.061,349 2.83,350 4.152,351 3.466,352 6.139,353 3.834,354 2.839,355 3.616,356 0.86,357 9.032,358 2.812,359 4.043,360 3.26,361 6.03,362 3.775,363 2.808,364 3.21,365 0.86,366 8.596,367 2.684,368 3.875,369 2.867,370 5.562,371 3.571,372 2.606,373 3.159,374 0.8,375 7.604,376 2.503,377 3.713,378 2.588,379 5.366,380 3.354,381 2.39,382 3.032,383 0.8,384 6.937,385 2.3,386 3.477,387 2.57,388 5.28,389 3.153,390 2.225,391 2.656,392 0.8,393 6.594,394 2.075,395 3.313,396 2.507,397 5.086,398 3.122,399 2.187,400 2.5,401 0.247,402 5.839,403 2.024,404 3.219,405 2.322,406 4.957,407 2.88,408 1.891,409 2.23,411 5.451,412 1.86,413 3.089,414 2.269,415 4.676,416 2.851,417 1.879,418 2.199,420 5.198,421 1.822,422 2.879,423 2.016,424 4.646,425 2.795,426 1.874,427 1.908,428 5.031,429 1.719,430 2.849,431 1.914,432 4.3,433 2.46,434 1.493,435 1.879,436 3.917,437 1.437,438 2.759,439 1.892,440 4.162,441 2.337,442 1.414,443 1.846,445 3.753,446 1.302,447 2.5,448 1.747,449 3.906,450 2.284,451 1.364,452 1.5,454 3.091,455 1.247,456 2.5,457 1.498,458 3.82,459 2.166,460 1.28,461 1.5,463 2.874,464 1.12,465 20.933,466 0.465,467 1.095,468 0.024,469 54.75,470 1.217,471 23,472 0.511,473 31.75,474 0.706,475 45.846,476 1.019,477 50.467,478 0.587,479 49.068,480 1.09,481 10.647,482 0.237,483 11.187,484 0.249,485 0.104,487 0.344,493 0.852,494 1.663,495 0.812,496 1.292,497 0.615,498 1.074,499 1.013,500 0.993,501 0.93,502 0.923,503 0.597,504 0.914,505 1.047,506 1.19,507 1.036,508 1.08,509 0.866,510 1.053,511 1.046,512 1.139,513 0.928,514 0.979,515 1.029,516 0.937,517 1.228,518 0.855,519 0.986,520 0.679,521 1.46,522 0.749,523 0.94,524 1.2,525 0.958,526 1.073,527 0.981,528 1.017,529 1.109,530 0.937,531 1.188,532 0.977,533 1.15,534 1.062,535 0.371,536 1.167,537 1.075,538 1.479,539 0.387,540 1.426,541 9,542 0.185,543 4.889,544 2.875,545 1.601,546 1.729,547 1.232,548 0.734,549 0.438,550 0.51,551 41853,552 101418,553 2.12,554 47.7,556 31,559 3,561 7,564 1.824,565 2,566 4.019,567 0.748,573 136.47,574 1.587,575 3.633,576 4.853,577 5.289,578 5.47,579 5.539,580 3.478,581 4.925,582 5.458,583 4.339,584 4295.45,585 9.654,586 86372.9,591 552.659,592 1.352,593 5.431,594 0.18,595 0.005,596 0.07,597 0.04,598 0.024,599 0.025,600 0.017,601 0.01,602 0.006,603 0.011,604 0.388,605 0.33,606 0.63,607 1.084,608 268.312,609 -0.048,610 -0.352,611 0.073,612 -0.144,613 -0.03,614 -0.032,615 0.069,616 0.171,617 0.04,618 0.091,619 0.104,620 0.055,621 -0.082,622 -0.104,623 -0.068,624 -0.071,625 -0.028,626 -0.067,627 -0.058,628 -0.154,629 0.071,630 -0.023,631 0.003,632 0.034,633 -0.098,634 0.197,635 0.035,636 0.221,637 -0.116,638 0.171,639 -0.043,640 -0.056,641 -0.01,642 -0.039,643 -0.024,644 -0.021,645 -0.157,646 0.225,647 -0.238,648 0.053,649 -0.161,650 -0.075,651 0.235,652 -0.099,653 -0.181,654 -0.332,655 0.221,656 -0.336,657 2.056,658 5.728,659 0.711,660 69.662,661 1.004,662 1.139,663 2.84,664 8.064,665 0.64,666 3.932,667 4.263,668 4.533,669 4.812,670 5.05,671 5.187,672 5.366,673 5.541,674 5.68,675 5.855,676 10.695,677 0.61,678 615.82,679 3.932,680 5.485,681 6.337,682 7.217,683 8.086,684 8.974,685 9.852,686 10.745,687 11.629,688 12.526,689 10.5,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 2,731 86,733 20,734 2,735 50,737 91,738 32,739 15,740 4,741 8,742 1,746 6,747 7,751 1,752 1,755 5,758 5,761 17,762 15,766 2,771 2,775 2,781 41,782 13,783 3,784 13,790 9,794 0.833,795 4,808 1,811 1,812 5,813 1,836 1,839 2,840 5,844 3,848 45,854 9,855 3,856 2,858 3,859 3,870 4.7,873 2,874 2,877 22.5,878 16.033,879 9.778,880 5.207,881 3.415,882 1.377,883 0.971,884 10.001,885 12.478,886 4.127,887 4.649,888 5.149,889 5.689,890 6.221,891 6.509,892 6.935,893 7.308,894 7.601,895 7.987,896 0.917,897 72,898 16.733,900 7.154,901 7.678,902 32.272,904 26.797,905 2.178,906 98,910 447.302,911 158.175,912 113.762,914 72.29,917 158.175,918 519.592,919 113.762,920 25.618,921 83.788,922 75.81,923 127.351,924 23.586,925 8.074,926 447.302,928 447.302,929 271.937,930 72.29,933 367.232,934 132.688,935 22,937 99.536,938 119.716,939 50.357,941 447.302,942 186.051,943 158.175,946 447.302,947 56.747,948 110.801,949 54.032,950 122.646,951 447.302,952 186.051,953 158.175,955 0.582,956 0.332,957 0.178,958 0.095,959 33,960 15,961 0.099,962 9,963 2,964 1.094,965 5.459,966 466.897,967 0.125,968 31,969 231.133,974 31.487,975 14.293,976 7.667,978 186.051,979 14.242,980 14.789,984 4.473,986 54.032,987 791.528,988 61,993 25.046,997 -0.54,999 86.363,1000 97.966,1001 0.247,1002 0.565,1003 0.755,1004 0.823,1005 0.851,1006 0.862,1007 5.391,1008 2.187,1009 6.319,1010 6.594,1011 4.949,1012 5.338,1013 2.63,1014 7.122,1015 4.843,1016 6.558,1017 1.891,1018 7.871,1019 5.839,1020 4.511,1021 5.047,1022 1.494,1023 7.999,1024 4.37,1025 7.842,1026 1.879,1027 9.52,1028 5.451,1029 6.535,1030 7.38,1031 2.849,1032 11.102,1033 6.327,1034 9.155,1035 1.874,1036 11.229,1037 5.198,1038 6.909,1039 7.876,1040 2.41,1041 12.835,1042 6.659,1043 10.5,1044 1.493,1045 12.977,1046 5.031,1047 8.398,1048 9.72,1049 3.43,1050 15.454,1051 8.086,1052 11.866,1053 1.414,1054 14.753,1055 3.917,1056 9.158,1057 10.592,1058 3.427,1059 17.558,1060 8.793,1061 13.25,1062 1.364,1063 16.55,1064 3.753,1065 10.426,1066 12.219,1067 4.229,1068 20.014,1069 10.001,1070 3.226,1071 1.28,1072 18.364,1073 3.091,1074 11.377,1075 13.295,1076 4.469,1077 22.281,1078 10.889,1079 3.002,1080 11.305,1081 20.191,1082 2.874,1083 12.554,1084 14.809,1085 5.14,1086 24.687,1087 12.005,1088 2.839,1089 10.061,1090 22.03,1091 4.06,1092 13.598,1093 16.004,1094 5.505,1095 27.026,1096 12.98,1097 2.808,1098 9.032,1099 23.877,1100 3.774,1101 14.741,1102 17.456,1103 6.102,1104 29.421,1105 14.059,1106 2.606,1107 8.596,1108 25.733,1109 3.616,1110 15.831,1111 18.723,1112 6.531,1113 31.795,1114 15.077,1115 2.39,1116 7.604,1117 27.595,1118 3.21,1119 16.965,1120 20.141,1121 7.088,1122 34.192,1123 16.142,1124 2.225,1125 6.937,1126 29.462,1127 3.159,1128 18.079,1129 21.452,1130 7.551,1131 36.583,1132 17.181,1133 39049,1134 60972,1135 33.808,1136 55.052,1137 75.382,1138 76.993,1139 76.842,1140 74.635,1141 74.639,1142 89.905,1143 14.163,1144 213.789,1145 70.732,1146 5.439,1147 5.568,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 22.182,1156 1.508,1157 1.54,1158 1.537,1159 1.493,1160 1.493,1161 1.798,1162 0.283,1163 4.276,1164 1.415,1165 4.049,1166 4.098,1167 4,1168 3.915,1169 7.432,1170 3.926,1171 3.941,1172 3.977,1173 3.888,1174 3.847,1175 7.428,1176 3.85,1177 3.899,1178 3.936,1179 3.823,1180 3.777,1181 5.079,1182 3.783,1183 3.819,1184 3.872,1185 3.728,1186 3.624,1187 4.735,1188 3.642,1189 3.692,1190 3.776,1191 3.562,1192 3.467,1193 4.695,1194 3.477,1195 3.595,1196 3.652,1197 3.528,1198 3.37,1199 4.633,1200 3.407,1201 3.454,1202 3.51,1203 3.386,1204 3.191,1205 4.601,1206 3.233,1207 3.317,1208 3.386,1209 3.216,1210 3.088,1211 4.349,1212 3.076,1213 0.089,1214 0.071,1215 0.136,1216 0.083,1217 0.065,1218 4.439,1219 0.081,1220 3.568,1221 0.033,1222 6.819,1223 0.226,1224 4.152,1225 0.06,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.934,1232 1.905,1233 2.025,1234 2.079,1235 1.255,1236 2.057,1237 1.906,1238 1.88,1239 2.005,1240 2.025,1241 1.245,1242 2.018,1243 1.773,1244 1.719,1245 1.956,1246 1.966,1247 1.196,1248 1.966,1249 1.679,1250 1.627,1251 1.894,1252 1.912,1253 1.139,1254 1.902,1255 1.642,1256 1.559,1257 1.86,1258 1.891,1259 1.101,1260 1.895,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.075,1266 1.798,1267 1.453,1268 1.401,1269 1.64,1270 1.712,1271 0.894,1272 1.674,1273 1.341,1274 1.279,1275 1.619,1276 1.631,1277 0.727,1278 1.619,1279 4.615,1281 5.943,1282 2.398,1283 7.458,1284 4.844,1285 9.059,1286 6.986,1287 10.708,1289 6.022,1295 6.768,1296 8.559,1297 11.465,1299 0.677,1300 6.499,1305 52.481,1306 136.47,1307 312.433,1308 417.375,1309 454.884,1310 470.394,1311 476.394,1312 85.972,1313 9.063,1314 137.08,1315 137.08,1316 35,1317 13.053,1318 4.392,1319 3.585,1320 68.852,1321 289,1322 346,1323 0.113,1324 318.297,1325 560.42,1326 768.405,1327 137122,1329 31.338,1330 0.696,1331 0.578,1332 31.338,1333 26.031,1334 21.835,1335 0.437,1336 0.31,1337 15.221,1338 20.746,1339 14.858,1340 12.272,1341 21.835,1342 15.518,1343 19.959,1344 0.285,1345 0.171,1346 19.959,1347 11.999,1348 16.457,1349 0.179,1350 0.091,1351 16.457,1352 8.358,1353 14.039,1354 0.115,1355 0.048,1356 14.039,1357 5.902,1358 11.237,1359 0.072,1360 0.025,1361 11.237,1362 3.873,1363 0.185,1364 138.476,1365 0.172,1366 40.276,1367 0.29,1368 240,1369 699.811,1370 269.974,1371 662.944,1372 907.43,1373 624,1374 282,1375 665.292,1376 312.865,1377 670.045,1378 986.65,1379 628,1380 7.367}
{0 CHEMBL1091715,1 1.574,2 17.651,3 4.019,4 16.149,5 163.93,6 7.094,7 0.375,8 4.525,9 4.654,10 4.058,11 3.97,12 5.541,13 3.967,14 5.118,15 5.312,16 4.424,17 4.375,18 6.112,19 4.35,20 5.366,21 5.586,22 4.47,23 4.549,24 6.289,25 4.483,26 5.439,27 5.699,28 4.414,29 4.513,30 6.361,31 4.426,32 5.342,33 5.597,34 4.414,35 4.442,36 6.362,37 4.39,38 5.202,39 5.406,40 4.446,41 4.476,42 6.182,43 4.431,44 5.306,45 5.508,46 4.475,47 4.618,48 6.274,49 4.542,50 5.495,51 5.718,52 4.428,53 4.745,54 6.357,55 4.599,56 0.043,57 1.275,58 18.753,59 6.98,60 11.024,61 10.029,62 0.714,63 2.022,64 37.706,65 11.716,66 52.153,67 16.929,68 0.736,69 2.435,70 49.077,71 14.625,72 56.566,73 22.322,74 0.687,75 2.465,76 54.332,77 15.54,78 71.793,79 24.564,80 1.023,81 2.285,82 49.959,83 12.339,84 97.908,85 20.242,86 0.46,87 2.25,88 40.316,89 12.455,90 46.141,91 19.022,92 0.817,93 2.486,94 44.561,95 14.715,96 61.206,97 22.032,98 0.456,99 2.731,100 53.859,101 22.536,102 65.624,103 31.576,104 21,105 67,106 0.238,107 0.537,108 0.722,109 0.8,110 0.825,111 0.828,112 3.787,113 0.935,114 -4.26,115 -4.2,116 -3.97,119 37.3,120 1,121 2,124 2,125 7,127 3,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 7,178 2,179 1,180 4,183 6,186 3,187 9,192 4,195 4,198 3,199 17,204 5,211 4,212 12,215 1,217 4,224 15,227 2,229 1,232 7,236 5,237 2,240 1,245 14,249 2,250 4,253 6,258 14,263 9,271 2,275 4394,276 29.325,277 29.325,278 29.325,279 29.325,280 29.325,281 27.139,282 45.934,283 17.386,284 30.314,285 23.757,286 23.757,287 23.757,288 23.757,289 23.757,290 20.345,291 70.441,292 8.334,293 25.37,294 4.801,295 2.823,296 1.602,297 1.082,298 0.919,299 0.895,300 4.501,306 1681,307 4.123,310 111.963,311 767.756,312 152.735,318 2.901,319 39.338,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 94,331 759,332 4.439,333 3.562,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.156,342 3.466,343 6.472,344 3.932,345 3.002,346 3.656,347 0.86,348 10.061,349 2.814,350 4.074,351 3.26,352 6.139,353 3.78,354 2.819,355 3.609,356 0.86,357 9.032,358 2.687,359 4.031,360 2.913,361 5.602,362 3.671,363 2.709,364 3.203,365 0.86,366 7.727,367 2.602,368 3.818,369 2.866,370 5.432,371 3.48,372 2.527,373 3.099,374 0.8,375 7.216,376 2.405,377 3.599,378 2.581,379 5.328,380 3.252,381 2.314,382 2.867,383 0.8,384 6.691,385 2.165,386 3.435,387 2.532,388 5.175,389 3.138,390 2.212,391 2.619,392 0.8,393 6.469,394 2.045,395 3.263,396 2.395,397 5.086,398 3.072,399 2.138,400 2.438,401 0.247,402 5.839,403 1.988,404 3.191,405 2.315,406 4.956,407 2.851,408 1.881,409 2.21,411 5.45,412 1.822,413 3.089,414 2.269,415 4.656,416 2.811,417 1.879,418 2.198,420 5.162,421 1.778,422 2.879,423 2.016,424 4.617,425 2.792,426 1.821,427 1.879,428 4.939,429 1.719,430 2.763,431 1.914,432 4.294,433 2.337,434 1.414,435 1.864,436 3.873,437 1.302,438 2.5,439 1.747,440 3.906,441 2.286,442 1.369,443 1.5,445 3.091,446 1.249,447 2.5,448 1.508,449 3.82,450 2.166,451 1.281,452 1.5,454 2.874,455 1.12,456 2.414,457 1.463,458 3.58,459 2,460 1.086,461 1.414,463 2.692,464 1,465 20.033,466 0.466,467 1.006,468 0.023,469 52.5,470 1.221,471 22,472 0.512,473 30.5,474 0.709,475 43.472,476 1.011,477 48.367,478 0.583,479 45.137,480 1.05,481 10.15,482 0.236,483 10.774,484 0.251,485 0.092,487 0.334,493 0.886,494 1.676,495 0.815,496 1.323,497 0.688,498 1.09,499 1.156,500 0.986,501 0.95,502 0.923,503 0.702,504 0.908,505 1.146,506 1.177,507 1.07,508 1.055,509 0.956,510 1.046,511 0.97,512 1.141,513 0.913,514 0.999,515 0.889,516 0.95,517 1.213,518 0.856,519 0.956,520 0.671,521 1.498,522 0.735,523 1.028,524 1.233,525 0.998,526 1.045,527 1.188,528 1.006,529 0.81,530 0.966,531 1.171,532 1.042,533 0.708,534 1.124,535 0.409,536 1.156,537 1.052,538 1.45,539 0.519,540 1.39,541 8.5,542 0.185,543 4.222,544 2.5,545 1.481,546 1.611,547 1.232,548 0.625,549 0.459,550 0.419,551 36771,552 86315,553 2.14,554 48.2,556 31,559 2,561 7,564 1.814,565 2.031,566 3.953,567 0.16,573 130.671,574 1.574,575 3.552,576 4.773,577 5.293,578 5.456,579 5.48,580 3.441,581 4.915,582 5.39,583 4.269,584 3854.75,585 9.525,586 74172.1,591 529.128,592 1.301,593 5.371,594 0.177,595 0.005,596 0.063,597 0.037,598 0.024,599 0.025,600 0.018,601 0.009,602 0.007,603 0.009,604 0.373,605 0.17,606 0.63,607 0.95,608 252.319,609 -0.035,610 -0.374,611 0.085,612 -0.17,613 -0.025,614 -0.043,615 0.026,616 0.166,617 0.037,618 0.086,619 0.113,620 0.057,621 -0.095,622 -0.094,623 -0.089,624 -0.054,625 -0.058,626 -0.068,627 -0.03,628 -0.15,629 0.077,630 -0.036,631 0.047,632 0.026,633 -0.073,634 0.187,635 0.066,636 0.236,637 -0.078,638 0.19,639 -0.124,640 -0.063,641 -0.046,642 -0.02,643 -0.107,644 -0.018,645 -0.004,646 0.234,647 -0.239,648 0.002,649 -0.026,650 -0.124,651 0.155,652 -0.118,653 -0.155,654 -0.313,655 0.096,656 -0.299,657 1.997,658 5.683,659 0.744,660 64.495,661 1.003,662 1.138,663 3.029,664 9.178,665 0.639,666 3.892,667 4.22,668 4.489,669 4.779,670 5.024,671 5.153,672 5.338,673 5.517,674 5.673,675 5.832,676 10.19,677 0.608,678 588.79,679 3.892,680 5.442,681 6.293,682 7.174,683 8.042,684 8.93,685 9.808,686 10.701,687 11.587,688 12.484,689 9.6,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,729 1,731 83,733 19,734 2,735 48,737 88,738 31,739 15,740 4,741 8,746 6,747 7,751 1,752 1,755 5,758 5,761 16,762 15,766 1,771 1,775 1,781 40,782 12,783 2,784 12,790 8,794 0.833,795 4,808 1,811 1,812 5,813 1,836 1,839 2,840 5,844 3,848 43,854 9,855 2,856 3,858 3,859 3,870 4.8,873 1,874 2,875 1,877 21.167,878 15.533,879 9.333,880 5.04,881 3.32,882 1.37,883 0.969,884 9.479,885 12.282,886 4.078,887 4.6,888 5.095,889 5.648,890 6.187,891 6.452,892 6.889,893 7.279,894 7.596,895 7.969,896 1,897 68,898 15.969,900 6.787,901 7.601,902 31.021,904 25.749,905 2.101,906 90.333,910 447.302,911 158.015,912 95.751,914 58.145,917 158.015,918 505.446,919 95.751,920 25.618,921 68.264,922 75.81,923 97.501,924 36.643,925 8.074,926 447.302,928 447.302,929 253.766,930 58.145,933 367.232,934 118.543,935 22,937 84.012,938 117.07,939 50.357,941 447.302,942 153.896,943 158.015,946 447.302,947 56.587,948 110.801,949 36.022,950 108.501,951 447.302,952 153.896,953 158.015,955 0.581,956 0.329,957 0.18,958 0.097,959 32,960 14,961 0.102,962 9,963 2,964 1.094,965 5.327,966 441.447,967 0.125,968 31,969 217.329,974 29.883,975 13.64,976 7.32,978 153.896,979 14.892,980 14.813,984 4.914,986 36.022,987 759.212,988 58,993 12.683,997 -0.331,999 83.261,1000 94.467,1001 0.247,1002 0.557,1003 0.749,1004 0.83,1005 0.856,1006 0.86,1007 5.34,1008 2.138,1009 6.271,1010 6.469,1011 4.905,1012 5.288,1013 2.574,1014 7.069,1015 4.781,1016 6.501,1017 1.881,1018 7.816,1019 5.839,1020 4.443,1021 4.966,1022 1.494,1023 7.93,1024 4.268,1025 7.781,1026 1.879,1027 9.459,1028 5.45,1029 6.485,1030 7.325,1031 2.763,1032 11.037,1033 6.239,1034 9.089,1035 1.821,1036 11.162,1037 5.162,1038 6.836,1039 7.787,1040 2.41,1041 12.767,1042 6.531,1043 10.43,1044 1.414,1045 12.905,1046 4.939,1047 8.338,1048 9.655,1049 3.363,1050 15.391,1051 7.968,1052 11.791,1053 1.369,1054 14.677,1055 3.873,1056 9.085,1057 10.497,1058 3.427,1059 17.501,1060 8.645,1061 13.17,1062 1.281,1063 16.471,1064 3.091,1065 10.36,1066 12.143,1067 4.191,1068 19.963,1069 9.857,1070 3.226,1071 1.086,1072 18.284,1073 2.874,1074 11.305,1075 13.197,1076 4.469,1077 22.238,1078 10.726,1079 3.002,1080 11.305,1081 20.111,1082 2.692,1083 12.488,1084 14.724,1085 5.121,1086 24.651,1087 11.843,1088 2.819,1089 10.061,1090 21.95,1091 4.06,1092 13.531,1093 15.904,1094 5.505,1095 26.997,1096 12.807,1097 2.709,1098 9.032,1099 23.799,1100 3.656,1101 14.678,1102 17.365,1103 6.094,1104 29.397,1105 13.886,1106 2.527,1107 7.727,1108 25.657,1109 3.609,1110 15.77,1111 18.622,1112 6.531,1113 31.776,1114 14.898,1115 2.314,1116 7.216,1117 27.522,1118 3.203,1119 16.908,1120 20.047,1121 7.084,1122 34.176,1123 15.963,1124 2.212,1125 6.691,1126 29.394,1127 3.099,1128 18.025,1129 21.353,1130 7.551,1131 36.571,1132 17,1133 34165,1134 52549,1135 32.709,1136 53.046,1137 72.159,1138 73.146,1139 73.342,1140 71.498,1141 71.492,1142 85.714,1143 13.766,1144 204.03,1145 67.071,1146 5.439,1147 5.562,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 19.299,1156 1.503,1157 1.524,1158 1.528,1159 1.49,1160 1.489,1161 1.786,1162 0.287,1163 4.251,1164 1.397,1165 4.046,1166 4.096,1167 3.998,1168 3.909,1169 7.431,1170 3.921,1171 3.925,1172 3.962,1173 3.865,1174 3.819,1175 5.079,1176 3.823,1177 3.893,1178 3.927,1179 3.819,1180 3.777,1181 4.858,1182 3.783,1183 3.819,1184 3.871,1185 3.727,1186 3.624,1187 4.703,1188 3.642,1189 3.662,1190 3.746,1191 3.533,1192 3.432,1193 4.633,1194 3.44,1195 3.592,1196 3.649,1197 3.513,1198 3.369,1199 4.602,1200 3.405,1201 3.402,1202 3.446,1203 3.345,1204 3.119,1205 4.413,1206 3.171,1207 3.264,1208 3.351,1209 3.037,1210 3.085,1211 4.222,1212 3.063,1213 0.092,1214 0.074,1215 0.142,1216 0.086,1217 0.067,1218 4.439,1219 0.085,1220 3.562,1221 0.035,1222 6.819,1223 0.236,1224 4.152,1225 0.062,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.932,1232 1.902,1233 2.022,1234 2.079,1235 1.255,1236 2.057,1237 1.88,1238 1.855,1239 1.989,1240 2.012,1241 1.245,1242 2.003,1243 1.773,1244 1.718,1245 1.956,1246 1.962,1247 1.196,1248 1.964,1249 1.679,1250 1.627,1251 1.873,1252 1.911,1253 1.115,1254 1.897,1255 1.613,1256 1.543,1257 1.86,1258 1.867,1259 1.099,1260 1.875,1261 1.604,1262 1.531,1263 1.856,1264 1.76,1265 1.04,1266 1.798,1267 1.451,1268 1.399,1269 1.64,1270 1.707,1271 0.894,1272 1.67,1273 1.292,1274 1.215,1275 1.562,1276 1.566,1277 0.696,1278 1.564,1279 4.575,1281 5.9,1282 2.398,1283 7.413,1284 4.844,1285 9.013,1286 6.986,1287 10.663,1289 6.133,1295 6.97,1296 5.764,1297 17.192,1299 0.719,1300 6.584,1305 50.459,1306 130.671,1307 294.802,1308 396.135,1309 439.354,1310 452.864,1311 454.864,1312 73.034,1313 8.962,1314 117.21,1315 117.21,1316 35,1317 13.011,1318 4.322,1319 3.459,1320 64.214,1321 260,1322 327,1323 0.116,1324 304.838,1325 534.76,1326 735.565,1327 119682,1329 29.761,1330 0.692,1331 0.582,1332 29.761,1333 25.031,1334 20.924,1335 0.436,1336 0.312,1337 14.657,1338 19.836,1339 14.303,1340 11.8,1341 20.924,1342 14.953,1343 19.088,1344 0.285,1345 0.172,1346 19.088,1347 11.539,1348 15.681,1349 0.178,1350 0.091,1351 15.681,1352 8.028,1353 13.533,1354 0.115,1355 0.048,1356 13.533,1357 5.683,1358 10.988,1359 0.073,1360 0.025,1361 10.988,1362 3.747,1363 0.19,1364 132.889,1365 0.175,1366 38.776,1367 0.301,1368 230,1369 665.479,1370 259.581,1371 625.84,1372 862.83,1373 592,1374 270,1375 637.42,1376 300.556,1377 639.835,1378 943.11,1379 600,1380 6.215}
{0 CHEMBL1091854,1 1.555,2 14.583,3 2.704,4 7.31,5 138.108,6 7.367,7 0.4,8 4.32,9 4.425,10 3.868,11 3.794,12 5.43,13 3.795,14 4.876,15 5.045,16 4.236,17 4.205,18 5.923,19 4.192,20 5.132,21 5.328,22 4.309,23 4.375,24 6.18,25 4.321,26 5.233,27 5.454,28 4.274,29 4.411,30 6.325,31 4.313,32 5.246,33 5.496,34 4.135,35 4.321,36 6.188,37 4.213,38 5.118,39 5.363,40 4.128,41 4.235,42 6.128,43 4.151,44 5.02,45 5.23,46 4.146,47 4.24,48 6.011,49 4.175,50 5.08,51 5.28,52 4.186,53 4.286,54 6.129,55 4.216,56 0.122,57 0.952,58 14.455,59 6.259,60 17.547,61 7.904,62 0.396,63 1.57,64 27.853,65 9.775,66 32.326,67 13.123,68 0.711,69 1.898,70 37.708,71 13.334,72 59.374,73 18.012,74 0.828,75 2.01,76 42.56,77 15.802,78 103.357,79 22.011,80 0.78,81 1.923,82 45.463,83 15.292,84 85.807,85 21.62,86 0.77,87 1.764,88 39.564,89 12.868,90 86.071,91 18.508,92 0.609,93 1.672,94 34.199,95 12.095,96 51.491,97 16.552,98 0.637,99 1.733,100 36.17,101 13.198,102 67.903,103 17.791,104 31,105 57,106 0.245,107 0.576,108 0.746,109 0.837,110 0.856,111 0.875,112 3.616,113 0.914,114 -2.18,115 -2.22,116 -2.2,119 40.3,121 1,124 1,125 8,135 1,138 1,142 5,143 3,144 4,151 1,152 1,157 1,172 4,175 11,180 4,183 7,186 2,187 7,190 1,195 5,198 1,199 6,202 3,203 1,204 2,207 7,211 2,212 4,217 1,220 7,223 1,224 6,227 2,229 2,232 3,236 2,237 8,242 2,245 3,249 1,250 4,253 1,255 3,258 4,262 2,263 4,266 1,268 2,271 3,275 2716,276 24.566,277 24.566,278 24.566,279 24.566,280 24.566,281 22.378,282 31.377,283 14.357,284 25.275,285 19.664,286 19.664,287 19.664,288 19.664,289 19.664,290 16.087,291 39.487,292 6.692,293 20.743,294 4.511,295 2.417,296 1.338,297 0.758,298 0.638,299 0.519,300 4.321,305 1,306 1146,307 3.674,310 155.571,311 319.113,314 297.563,318 2.162,319 44.024,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 79.5,331 525,332 4.681,333 3.76,334 6.88,335 4.258,336 3.281,337 4.637,338 0.86,339 11.436,340 3.206,341 4.578,342 3.25,343 6.759,344 4.16,345 3.187,346 4.248,347 0.86,348 11.108,349 3.101,350 3.92,351 2.983,352 5.777,353 3.579,354 2.658,355 3.366,356 0.8,357 7.812,358 2.447,359 3.753,360 2.922,361 5.535,362 3.473,363 2.504,364 3.188,365 0.8,366 7.387,367 2.418,368 3.656,369 2.747,370 5.488,371 3.337,372 2.404,373 2.887,375 7.121,376 2.238,377 3.533,378 2.591,379 5.289,380 3.163,381 2.229,382 2.657,384 6.586,385 2.103,386 3.345,387 2.572,388 5.139,389 3.097,390 2.148,391 2.612,393 6.365,394 2.008,395 3.225,396 2.3,397 5.127,398 2.94,399 2.007,400 2.43,402 6.024,403 1.861,404 3.193,405 2.238,406 4.963,407 2.766,408 1.808,409 2.234,411 5.525,412 1.719,413 2.999,414 1.924,415 4.783,416 2.608,417 1.642,418 2.151,420 4.931,421 1.576,422 2.72,423 1.695,424 4.239,425 2.24,426 1.256,427 1.675,428 3.405,429 1.225,430 2.423,431 1.571,432 3.808,433 2.147,434 1.192,435 1.379,436 2.842,437 1.127,438 2.201,439 1.22,440 3.428,441 1.997,442 1.058,443 1.175,445 2.275,446 0.984,447 2.032,448 1.146,449 3.414,450 1.967,451 1,452 1.009,454 2.273,455 0.965,456 2,457 1.071,458 3.145,459 1.852,460 0.892,461 1,463 1.814,464 0.851,465 16.7,466 0.464,467 0.883,468 0.025,469 43.25,470 1.201,471 19,472 0.528,473 24.25,474 0.674,475 34.041,476 0.946,477 40.3,478 0.601,479 37.123,480 1.031,481 8.723,482 0.242,483 8.738,484 0.243,485 0.11,487 0.371,493 0.925,494 1.421,495 0.813,496 1.157,497 0.834,498 0.993,499 1.041,500 1.069,501 0.903,502 0.913,503 0.644,504 0.859,505 0.933,506 0.956,507 0.984,508 0.966,509 0.78,510 0.97,511 0.533,512 1.073,513 0.896,514 1.139,515 0.49,516 1.099,517 0.859,518 0.962,519 0.905,520 0.959,521 0.889,522 0.949,523 0.781,524 0.927,525 0.84,526 0.861,527 0.688,528 0.857,529 0.87,530 0.948,531 0.937,532 0.949,533 0.722,534 0.946,535 0.909,536 1.096,537 0.978,538 1.083,539 0.881,540 1.054,541 7.5,542 0.303,543 3.778,544 3.368,545 1.89,546 1.348,547 0.751,548 0.663,549 0.494,550 0.377,551 20634,552 55489,553 2.103,554 46.3,556 25,557 1,559 3,562 2,564 1.775,565 1.964,566 3.763,567 0.801,573 104.201,574 1.555,575 3.65,576 4.728,577 5.309,578 5.428,579 5.547,580 3.261,581 4.948,582 5.134,583 3.956,584 2492.5,585 9.037,586 40414.1,591 406.428,592 1.426,593 5.099,594 0.188,595 0.008,596 0.066,597 0.057,598 0.035,599 0.029,600 0.016,601 0.013,602 0.01,603 0.008,604 0.429,605 0.33,606 0.75,607 0.914,608 197.678,609 -0.094,610 -0.2,611 0.04,612 -0.04,613 -0.089,614 0.014,615 -0.153,616 0.105,617 0.017,618 0.099,619 0.001,620 0.106,621 -0.038,622 0.127,623 -0.041,624 0.04,625 0.011,626 0.012,627 0.215,628 -0.067,629 0.043,630 -0.114,631 0.253,632 -0.076,633 0.001,634 -0.022,635 0.081,636 0.023,637 -0.025,638 0.059,639 0.059,640 0.065,641 0.14,642 0.107,643 0.102,644 0.136,645 -0.023,646 0.104,647 0.011,648 0.057,649 -0.016,650 0.049,651 -0.006,652 -0.076,653 -0.029,654 -0.057,655 -0.01,656 -0.051,657 2.091,658 5.921,659 0.667,660 45.58,661 1.01,662 1.128,663 0.949,664 0.901,665 0.648,666 3.714,667 4.06,668 4.369,669 4.682,670 4.905,671 5.05,672 5.204,673 5.361,674 5.476,675 5.628,676 8.243,677 0.623,678 493.61,679 3.714,680 5.273,681 6.142,682 7.04,683 7.928,684 8.834,685 9.731,686 10.642,687 11.546,688 12.46,689 4.5,692 2,697 1,703 2,704 6,709 6,710 1,711 16,716 1,728 2,729 2,731 67,733 18,734 2,735 40,737 71,738 27,739 14,740 7,741 5,742 3,746 5,747 7,752 1,758 1,761 17,762 10,766 2,771 1,773 1,775 2,781 31,782 8,783 3,784 9,790 3,794 0.6,795 6,796 1,807 1,811 2,812 3,815 2,831 2,836 2,838 1,840 3,844 1,848 36,853 3,854 9,856 2,859 2,870 9,871 1,872 2,873 1,875 2,877 18.333,878 12.033,879 7.944,880 4.003,881 3.842,882 1.448,883 0.945,884 7.434,885 12.419,886 3.932,887 4.541,888 5.163,889 5.79,890 6.331,891 6.751,892 7.174,893 7.624,894 7.949,895 8.376,896 0.9,897 59,898 13.403,900 5.852,901 7.838,902 25.544,904 21.426,905 2.338,906 84.167,910 329.591,911 126.014,912 8.148,914 175.195,917 126.014,918 504.786,919 8.148,920 10.883,921 17.274,922 108.588,923 120.889,924 49.578,925 13.915,926 317.82,928 329.591,929 134.162,930 175.195,933 306.049,934 156.054,935 42.683,937 25.422,938 94.02,939 14.72,941 329.591,942 183.342,943 126.014,946 329.591,947 49.226,948 84.936,950 175.195,951 329.591,952 183.342,953 126.014,955 0.581,956 0.347,957 0.195,958 0.105,959 28,960 13,961 0.113,962 8,963 2,964 1.167,965 4.659,966 350.63,967 0.167,968 24,969 182.117,974 24.957,975 10.723,976 5.23,977 1.956,978 181.443,979 10.335,984 1.242,985 2.18,986 128.05,987 638.948,988 50,993 12.921,995 1.678,997 -0.333,999 67.64,1000 75.564,1001 0.256,1002 0.602,1003 0.779,1004 0.875,1005 0.895,1006 0.914,1007 5.198,1008 2.007,1009 6.138,1010 6.365,1011 4.745,1012 5.228,1013 1.771,1014 6.98,1015 4.65,1016 6.407,1017 1.808,1018 7.714,1019 6.024,1020 4.369,1021 5.147,1022 0.57,1023 7.921,1024 4.23,1025 7.729,1026 1.642,1027 9.388,1028 5.525,1029 6.368,1030 7.461,1031 1.413,1032 11.052,1033 6.2,1034 9.088,1035 1.256,1036 11.119,1037 4.931,1038 6.815,1039 8.234,1040 0.479,1041 12.852,1042 6.618,1043 10.483,1044 1.192,1045 12.889,1046 3.405,1047 8.287,1048 10.053,1049 1.15,1050 15.514,1051 8.066,1052 11.903,1053 1.058,1054 14.687,1055 2.842,1056 9.122,1057 11.227,1058 0.346,1059 17.687,1060 8.884,1061 13.345,1062 1,1063 16.507,1064 2.275,1065 10.394,1066 12.856,1067 0.93,1068 20.193,1069 10.135,1070 3.281,1071 0.892,1072 18.345,1073 2.273,1074 11.414,1075 14.218,1076 0.237,1077 22.52,1078 11.138,1079 3.187,1080 11.436,1081 20.197,1082 1.814,1083 12.613,1084 15.774,1085 0.742,1086 24.972,1087 12.318,1088 2.658,1089 11.108,1090 22.062,1091 4.637,1092 13.716,1093 17.22,1094 0.158,1095 27.36,1096 13.405,1097 2.504,1098 7.812,1099 23.937,1100 4.248,1101 14.892,1102 18.749,1103 0.583,1104 29.794,1105 14.561,1106 2.404,1107 7.387,1108 25.82,1109 3.366,1110 16.033,1111 20.234,1112 0.104,1113 32.204,1114 15.684,1115 2.229,1116 7.121,1117 27.71,1118 3.188,1119 17.204,1120 21.754,1121 0.452,1122 34.633,1123 16.834,1124 2.148,1125 6.586,1126 29.606,1127 2.887,1128 18.363,1129 23.257,1130 0.068,1131 37.052,1132 17.973,1133 19470,1134 32213,1135 26.759,1136 43.404,1137 60.159,1138 61.856,1139 62.437,1140 59.764,1141 59.723,1142 74.613,1143 6.64,1144 175.856,1145 56.699,1146 5.681,1147 5.76,1148 6.651,1149 5.325,1150 5.281,1151 7.637,1152 1.72,1153 18.675,1154 5.206,1155 18.738,1156 1.504,1157 1.546,1158 1.561,1159 1.494,1160 1.493,1161 1.865,1162 0.166,1163 4.396,1164 1.417,1165 4.163,1166 4.191,1167 4.13,1168 4.074,1169 7.428,1170 4.085,1171 3.975,1172 3.975,1173 3.951,1174 3.877,1175 6.492,1176 3.894,1177 3.865,1178 3.939,1179 3.746,1180 3.665,1181 6.456,1182 3.675,1183 3.602,1184 3.662,1185 3.501,1186 3.446,1187 6.445,1188 3.452,1189 3.529,1190 3.556,1191 3.443,1192 3.394,1193 4.977,1194 3.396,1195 3.43,1196 3.479,1197 3.314,1198 3.213,1199 4.755,1200 3.228,1201 3.309,1202 3.36,1203 3.147,1204 3.114,1205 4.582,1206 3.115,1207 3.133,1208 3.206,1209 2.978,1210 2.941,1211 4.374,1212 2.921,1213 0.117,1214 0.094,1215 0.172,1216 0.106,1217 0.082,1218 4.681,1219 0.116,1220 3.76,1221 0.022,1222 6.88,1223 0.286,1224 4.258,1225 0.08,1226 3.281,1227 4.637,1228 0.86,1229 11.436,1230 3.206,1231 1.942,1232 1.924,1233 2.04,1234 2.059,1235 1.359,1236 2.057,1237 1.851,1238 1.845,1239 2.001,1240 2.015,1241 1.224,1242 2.013,1243 1.813,1244 1.745,1245 1.912,1246 1.952,1247 1.131,1248 1.937,1249 1.693,1250 1.647,1251 1.872,1252 1.869,1253 1.036,1254 1.871,1255 1.523,1256 1.479,1257 1.71,1258 1.718,1259 0.942,1260 1.717,1261 1.382,1262 1.321,1263 1.645,1264 1.631,1265 0.825,1266 1.63,1267 1.225,1268 1.173,1269 1.567,1270 1.509,1271 0.811,1272 1.529,1273 1.184,1274 1.135,1275 1.513,1276 1.422,1277 0.601,1278 1.429,1279 4.394,1281 5.733,1282 3.045,1283 7.262,1284 5.533,1285 8.881,1286 7.727,1287 10.552,1289 1.617,1294 29.01,1295 7.681,1297 11.139,1300 4.741,1305 41.728,1306 104.201,1307 244.522,1308 316.76,1309 355.673,1310 363.673,1311 371.673,1312 76.792,1313 8.577,1314 111.54,1315 111.54,1316 28,1317 12.975,1318 4.248,1319 3.459,1320 54.468,1321 173,1322 232,1323 0.149,1324 250.81,1325 443.14,1326 603.738,1327 71722,1329 25.233,1330 0.701,1331 0.564,1332 25.233,1333 20.313,1334 17.461,1335 0.437,1336 0.305,1337 11.967,1338 16.589,1339 11.744,1340 9.621,1341 17.461,1342 12.192,1343 15.759,1344 0.276,1345 0.161,1346 15.759,1347 9.199,1348 13.55,1349 0.174,1350 0.088,1351 13.55,1352 6.897,1353 11.89,1354 0.111,1355 0.047,1356 11.89,1357 4.993,1358 9.292,1359 0.069,1360 0.026,1361 9.292,1362 3.45,1363 0.236,1364 110.937,1365 0.193,1366 33.17,1367 0.4,1368 194,1369 588.591,1370 215.414,1371 552.696,1372 749.85,1373 518,1374 232,1375 544.425,1376 254.667,1377 546.739,1378 807.6,1379 514,1380 7.432}
{0 CHEMBL1091855,1 1.52,2 10.774,3 3.431,4 11.774,5 120.606,6 7.413,7 0.471,8 4.149,9 4.25,10 3.703,11 3.648,12 5.296,13 3.644,14 4.677,15 4.846,16 4.086,17 4.039,18 5.755,19 4.031,20 4.871,21 5.027,22 4.184,23 4.204,24 6.017,25 4.171,26 5.052,27 5.26,28 4.175,29 4.271,30 6.22,31 4.189,32 5.026,33 5.241,34 4.067,35 4.218,36 6.027,37 4.127,38 5.022,39 5.253,40 4.095,41 4.186,42 6.065,43 4.11,44 4.955,45 5.146,46 4.085,47 4.182,48 6.018,49 4.124,50 4.968,51 5.146,52 4.054,53 4.201,54 6.077,55 4.118,56 0.08,57 0.781,58 11.915,59 5.414,60 13.271,61 6.685,62 0.281,63 1.267,64 22.672,65 8.437,66 23.936,67 10.999,68 0.434,69 1.492,70 27.467,71 10.7,72 42.133,73 13.604,74 0.74,75 1.704,76 35.07,77 13.337,78 93.302,79 18.1,80 0.491,81 1.631,82 34.513,83 13.128,84 57.259,85 17.695,86 0.571,87 1.64,88 35.082,89 12.351,90 69.3,91 17.152,92 0.612,93 1.54,94 31.912,95 11.451,96 58.929,97 14.889,98 0.478,99 1.577,100 31.061,101 12.219,102 52.106,103 15.949,104 57,105 50,106 0.248,107 0.608,108 0.795,109 0.846,110 0.857,111 0.857,112 3.473,113 0.893,114 -3.45,115 -3.42,116 -3.27,119 42.1,120 1,121 1,124 3,125 2,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 12,180 4,183 8,186 1,187 7,195 7,198 1,199 6,202 3,203 1,204 2,207 10,211 2,212 4,217 1,220 8,223 1,224 9,227 1,229 2,232 4,236 1,237 8,242 2,245 4,249 1,250 4,253 1,255 3,258 5,262 2,263 1,266 1,268 3,271 3,275 1705,276 20.524,277 20.524,278 20.524,279 20.524,280 20.524,281 18.256,282 25.49,283 11.739,284 21.08,285 16.689,286 16.689,287 16.689,288 16.689,289 16.689,290 13.026,291 29.929,292 5.496,293 17.507,294 4.313,295 2.108,296 0.958,297 0.649,298 0.579,299 0.579,300 4.162,304 1,305 1,306 711,307 3.742,310 125.79,311 162.51,314 242.119,318 1.602,319 36.701,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68,331 334,332 4.771,333 3.761,334 7.021,335 4.323,336 3.351,337 4.739,338 0.86,339 11.993,340 3.259,341 4.587,342 3.399,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.922,352 5.825,353 3.479,354 2.512,355 3.395,356 0.8,357 7.909,358 2.425,359 3.829,360 2.8,361 5.693,362 3.415,363 2.469,364 3.281,366 7.504,367 2.332,368 3.542,369 2.593,370 5.568,371 3.185,372 2.245,373 2.898,375 6.925,376 2.122,377 3.349,378 2.567,379 5.166,380 3.088,381 2.142,382 2.616,384 6.033,385 2.005,386 3.281,387 2.3,388 5.14,389 2.94,390 2.007,391 2.536,393 6.005,394 1.861,395 3.208,396 2.237,397 4.957,398 2.857,399 1.904,400 2.421,402 5.5,403 1.805,404 3.189,405 2.131,406 4.656,407 2.756,408 1.792,409 2.217,411 5.164,412 1.712,413 2.732,414 1.855,415 4.26,416 2.224,417 1.244,418 1.678,420 3.436,421 1.215,422 2.478,423 1.35,424 3.87,425 2.219,426 1.241,427 1.456,428 2.93,429 1.196,430 2.09,431 1.097,432 3.543,433 1.844,434 0.877,435 1.038,436 2.128,437 0.843,438 1.675,439 0.914,440 3.128,441 1.413,442 0.522,443 0.58,445 1.033,446 0.459,447 1.475,448 0.73,449 2.851,450 1.232,451 0.298,452 0.323,454 0.601,455 0.278,456 1.274,457 0.562,458 2.736,459 0.867,460 -0.132,461 -0.178,463 -0.332,464 -0.13,465 14.467,466 0.467,467 0.963,468 0.031,469 39.25,470 1.266,471 19,472 0.613,473 20.25,474 0.653,475 28.095,476 0.906,477 34.133,478 0.599,479 33.346,480 1.076,481 7.98,482 0.257,483 6.815,484 0.22,485 0.207,487 0.435,493 0.891,494 1.342,495 0.802,496 1.13,497 0.818,498 0.978,499 0.99,500 0.922,501 0.751,502 0.792,503 0.577,504 0.712,505 1.036,506 1.086,507 0.989,508 1.049,509 0.901,510 1.007,511 0.563,512 0.99,513 0.868,514 1.048,515 0.54,516 1.019,517 0.807,518 1.085,519 0.933,520 1.087,521 0.879,522 1.051,523 0.761,524 0.977,525 0.815,526 0.916,527 0.559,528 0.878,529 1.15,530 0.961,531 1.051,532 0.936,533 1.064,534 0.963,535 0.908,536 1.285,537 1.159,538 1.324,539 0.902,540 1.3,541 7,542 0.229,543 3.778,544 3.965,545 1.908,546 1.414,547 0.91,548 0.751,549 0.508,550 0.365,551 11636,552 31451,553 2.027,554 45.6,556 19,559 2,560 3,562 2,564 1.743,565 1.842,566 3.375,567 0.193,569 1,573 86.615,574 1.52,575 3.725,576 4.874,577 5.183,578 5.254,579 5.254,580 2.882,581 4.761,582 4.921,583 3.564,584 1657.3,585 8.636,586 23022.6,588 1,591 332.475,592 1.541,593 4.855,594 0.206,595 0.009,596 0.076,597 0.075,598 0.038,599 0.031,600 0.019,601 0.016,602 0.012,603 0.011,604 0.493,605 0.33,606 1,607 1.379,608 158.859,609 -0.075,610 -0.169,611 0.04,612 -0.045,613 -0.106,614 0.007,615 -0.099,616 0.211,617 0.17,618 0.21,619 0.052,620 0.25,621 -0.067,622 0.008,623 -0.07,624 -0.028,625 -0.017,626 -0.04,627 0.251,628 0.021,629 0.077,630 -0.04,631 0.29,632 -0.017,633 0.025,634 -0.106,635 0.019,636 -0.076,637 -0.041,638 -0.042,639 0.072,640 0.021,641 0.156,642 0.062,643 0.16,644 0.117,645 -0.112,646 0.066,647 -0.085,648 0.056,649 -0.103,650 0.005,651 -0.006,652 -0.255,653 -0.231,654 -0.304,655 -0.028,656 -0.313,657 2.08,658 5.886,659 0.581,660 31.097,661 1.008,662 1.123,663 2.215,664 4.907,665 0.657,666 3.555,667 3.932,668 4.248,669 4.585,670 4.82,671 5.004,672 5.176,673 5.338,674 5.407,675 5.505,676 6.53,677 0.63,678 422.52,679 3.555,680 5.13,681 6.009,682 6.925,683 7.828,684 8.754,685 9.67,686 10.6,687 11.522,688 12.455,689 3.5,692 1,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 57,733 18,734 2,735 34,737 60,738 24,739 14,740 7,741 5,742 3,746 4,747 6,752 1,758 1,761 17,762 7,766 2,771 1,773 1,775 2,778 1,781 26,782 6,783 2,784 7,790 2,794 0.5,795 5,807 1,811 2,812 2,815 2,831 2,836 1,840 2,844 4,848 31,853 2,854 3,856 2,859 1,870 8.8,872 2,873 1,875 2,877 16.833,878 11.55,879 6.75,880 3.265,881 3.904,882 1.485,883 0.947,884 5.905,885 11.954,886 3.807,887 4.474,888 5.131,889 5.796,890 6.362,891 6.798,892 7.233,893 7.685,894 7.986,895 8.391,896 1,897 53,898 11.513,900 4.984,901 7.849,902 21.719,904 17.854,905 2.349,906 72.833,909 1,910 282.506,911 134.813,912 5.023,914 132.511,917 134.813,918 415.018,919 5.023,920 36.501,921 6.746,922 56.857,923 120.889,924 46.454,925 4.901,926 282.506,928 282.506,929 139.837,930 132.511,933 258.964,934 156.054,937 20.595,938 104.522,939 14.72,941 282.506,942 137.535,943 134.813,946 282.506,947 41.455,948 98.382,950 132.511,951 282.506,952 137.535,953 134.813,955 0.591,956 0.348,957 0.194,958 0.106,959 25,960 13,961 0.1,962 6,963 2,964 1.222,965 4.025,966 293.396,967 0.222,968 18,969 151.58,974 21.59,975 8.478,976 3.997,977 2.001,978 135.636,979 8.362,984 2.346,985 2.237,986 85.367,987 554.854,988 44,993 12.886,995 1.707,997 -0.308,999 57.443,1000 64.026,1001 0.261,1002 0.639,1003 0.836,1004 0.889,1005 0.901,1006 0.901,1007 5.081,1008 1.904,1009 6.033,1010 6.005,1011 4.615,1012 5.162,1013 1.593,1014 6.917,1015 4.531,1016 6.33,1017 1.792,1018 7.641,1019 5.5,1020 4.369,1021 5.19,1022 0.325,1023 7.951,1024 4.245,1025 7.676,1026 1.244,1027 9.347,1028 5.164,1029 6.279,1030 7.466,1031 1.294,1032 11.106,1033 6.133,1034 9.06,1035 1.241,1036 11.11,1037 3.436,1038 6.825,1039 8.305,1040 0.268,1041 12.986,1042 6.649,1043 10.477,1044 0.877,1045 12.911,1046 2.93,1047 8.259,1048 10.112,1049 1.061,1050 15.686,1051 8.066,1052 11.919,1053 0.522,1054 14.739,1055 2.128,1056 9.171,1057 11.331,1058 0.188,1059 17.924,1060 8.953,1061 13.382,1062 0.298,1063 16.588,1064 1.033,1065 10.439,1066 12.964,1067 0.861,1068 20.47,1069 10.202,1070 3.351,1071 -0.132,1072 18.454,1073 0.601,1074 11.515,1075 14.358,1076 0.125,1077 22.85,1078 11.253,1079 3.237,1080 11.993,1081 20.334,1082 -0.332,1083 12.727,1084 15.926,1085 0.69,1086 25.343,1087 12.444,1088 2.512,1089 11.383,1090 22.225,1091 4.739,1092 13.872,1093 17.4,1094 0.082,1095 27.778,1096 13.564,1097 2.469,1098 7.909,1099 24.125,1100 4.248,1101 15.068,1102 18.946,1103 0.544,1104 30.254,1105 14.738,1106 2.245,1107 7.504,1108 26.033,1109 3.395,1110 16.242,1111 20.455,1112 0.054,1113 32.709,1114 15.886,1115 2.142,1116 6.925,1117 27.947,1118 3.281,1119 17.436,1120 21.995,1121 0.424,1122 35.179,1123 17.055,1124 2.007,1125 6.033,1126 29.866,1127 2.898,1128 18.623,1129 23.522,1130 0.035,1131 37.642,1132 18.215,1133 11371,1134 18951,1135 21.907,1136 37.421,1137 52.029,1138 53.756,1139 54.921,1140 51.693,1141 51.683,1142 66.853,1143 5.04,1144 157.089,1145 49.335,1146 5.646,1147 5.761,1148 6.569,1149 5.39,1150 5.351,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 19.487,1156 1.53,1157 1.581,1158 1.615,1159 1.52,1160 1.52,1161 1.966,1162 0.148,1163 4.62,1164 1.451,1165 4.173,1166 4.2,1167 4.143,1168 4.087,1169 7.428,1170 4.097,1171 3.975,1172 3.975,1173 3.952,1174 3.878,1175 6.492,1176 3.894,1177 3.701,1178 3.78,1179 3.562,1180 3.52,1181 6.445,1182 3.519,1183 3.57,1184 3.604,1185 3.495,1186 3.444,1187 4.969,1188 3.449,1189 3.455,1190 3.489,1191 3.377,1192 3.266,1193 4.755,1194 3.286,1195 3.275,1196 3.348,1197 3.093,1198 3.083,1199 4.58,1200 3.074,1201 3.192,1202 3.272,1203 2.989,1204 2.937,1205 4.326,1206 2.937,1207 3.019,1208 3.046,1209 2.922,1210 2.838,1211 4.139,1212 2.837,1213 0.14,1214 0.111,1215 0.206,1216 0.127,1217 0.099,1218 4.771,1219 0.139,1220 3.761,1221 0.025,1222 7.021,1223 0.353,1224 4.323,1225 0.096,1226 3.351,1227 4.739,1228 0.86,1229 11.993,1230 3.259,1231 1.942,1232 1.924,1233 2.026,1234 2.045,1235 1.281,1236 2.04,1237 1.851,1238 1.845,1239 1.951,1240 1.954,1241 1.156,1242 1.946,1243 1.768,1244 1.72,1245 1.91,1246 1.933,1247 1.037,1248 1.933,1249 1.611,1250 1.552,1251 1.817,1252 1.82,1253 0.969,1254 1.823,1255 1.409,1256 1.365,1257 1.657,1258 1.632,1259 0.783,1260 1.628,1261 1.27,1262 1.201,1263 1.572,1264 1.496,1265 0.606,1266 1.527,1267 1.193,1268 1.121,1269 1.514,1270 1.49,1271 0.562,1272 1.502,1273 0.975,1274 0.934,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.234,1281 5.595,1282 3.045,1283 7.141,1284 5.587,1285 8.781,1286 7.818,1287 10.475,1289 7.741,1294 19.81,1295 2.777,1297 11.126,1300 2.15,1305 35.938,1306 86.615,1307 212.297,1308 277.846,1309 295.455,1310 299.455,1311 299.455,1312 67.556,1313 8.05,1314 88.07,1315 88.07,1316 22,1317 12.958,1318 4.248,1319 3.459,1320 49.123,1321 117,1322 133,1323 0.202,1324 218.636,1325 383.81,1326 525.233,1327 33862,1329 22.284,1330 0.719,1331 0.584,1332 22.284,1333 18.099,1334 14.795,1335 0.435,1336 0.298,1337 9.936,1338 14.1,1339 9.565,1340 7.98,1341 14.795,1342 10.116,1343 13.909,1344 0.278,1345 0.159,1346 13.909,1347 7.968,1348 11.622,1349 0.168,1350 0.081,1351 11.622,1352 5.579,1353 10.246,1354 0.106,1355 0.042,1356 10.246,1357 4.039,1358 7.955,1359 0.065,1360 0.022,1361 7.955,1362 2.689,1363 0.311,1364 93.752,1365 0.214,1366 28.638,1367 0.577,1368 168,1369 512.796,1370 185.56,1371 486.614,1372 663.96,1373 454,1374 203,1375 491.445,1376 221.562,1377 498.271,1378 733.42,1379 465,1380 8.301}
{0 CHEMBL1091864,1 1.581,2 10.034,3 5.645,4 31.865,5 110.608,6 9.391,7 0.667,8 3.919,9 3.979,10 3.669,11 3.569,12 5.203,13 3.574,14 4.357,15 4.428,16 4.094,17 3.971,18 5.641,19 3.969,20 4.615,21 4.728,22 4.16,23 4.056,24 5.909,25 4.04,26 4.647,27 4.783,28 4.093,29 4,30 6.048,31 3.976,32 4.56,33 4.691,34 3.967,35 3.941,36 5.791,37 3.918,38 4.561,39 4.7,40 4.065,41 3.988,42 5.858,43 3.955,44 4.6,45 4.741,46 4.051,47 3.996,48 5.827,49 3.956,50 4.578,51 4.736,52 3.968,53 3.916,54 5.832,55 3.862,56 0.147,57 0.49,58 5.255,59 3.529,60 18.727,61 3.361,62 0.145,63 0.776,64 7.854,65 5.595,66 12.087,67 5.818,68 0.463,69 1.03,70 16.982,71 7.895,72 47.85,73 8.041,74 0.716,75 1.11,76 18.79,77 8.18,78 81.767,79 8.772,80 0.485,81 1.008,82 14.956,83 7.418,84 55.679,85 7.241,86 0.425,87 0.992,88 15.459,89 7.779,90 49.475,91 8.946,92 0.421,93 1.022,94 17.015,95 8.248,96 42.837,97 8.701,98 0.464,99 1.014,100 19.125,101 8.314,102 51.536,103 9.056,104 17,105 49,106 0.268,107 0.574,108 0.716,109 0.85,110 0.887,111 0.887,112 3.409,113 0.839,114 -4.25,115 -4.19,116 -3.96,119 53.5,135 1,136 1,142 10,143 3,144 5,152 2,157 1,172 10,175 7,180 5,183 16,187 6,190 1,192 1,195 14,199 5,202 2,203 2,204 5,207 14,211 1,212 2,217 2,220 14,224 6,227 1,228 1,229 4,232 13,237 4,242 6,245 13,250 1,253 1,255 6,258 11,263 1,266 1,268 6,271 9,275 1351,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 16.568,282 15.977,283 11.245,284 19.886,285 16.298,286 16.298,287 16.298,288 16.298,289 16.298,290 11.711,291 18.399,292 5.371,293 16.868,294 3.845,295 2.036,296 1.197,297 0.407,298 0.186,299 0.186,300 4.117,301 1,305 1,306 647,307 2.646,310 107.17,311 217.496,314 210.978,318 1.284,319 36.532,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.833,331 291,332 4.721,333 3.426,334 6.904,335 4.286,336 3.301,337 4.685,338 0.6,339 11.58,340 3.249,341 4.596,342 3.336,343 6.832,344 4.187,345 3.205,346 4.242,348 11.302,349 3.146,350 4.04,351 2.925,352 5.992,353 3.611,354 2.634,355 3.652,357 8.432,358 2.577,359 3.87,360 2.681,361 5.734,362 3.451,363 2.482,364 3.368,366 7.66,367 2.401,368 3.643,369 2.545,370 5.222,371 3.164,372 2.246,373 3.046,375 6.284,376 2.048,377 3.468,378 2.308,379 5.132,380 3.021,381 2.067,382 2.831,384 6.051,385 1.944,386 3.36,387 2.035,388 4.999,389 2.887,390 1.917,391 2.673,393 5.764,394 1.825,395 3.132,396 1.906,397 4.934,398 2.711,399 1.739,400 2.353,402 5.357,403 1.674,404 2.993,405 1.74,406 4.433,407 2.497,408 1.527,409 2.161,411 4.097,412 1.469,413 2.721,414 1.472,415 4.245,416 2.228,417 1.262,418 1.782,420 3.395,421 1.207,422 2.567,423 1.323,424 3.614,425 2.13,426 1.174,427 1.561,428 2.862,429 1.105,430 2.5,431 1,432 3.553,433 2,434 1,435 1.5,436 2.275,437 1,438 2.329,439 0.85,440 3.414,441 1.696,442 0.722,443 1.116,445 1.923,446 0.698,447 1.331,448 0.408,449 2.965,450 0.966,451 0.006,452 0.007,454 0.016,455 0.005,456 1.147,457 0.282,458 2.725,459 0.745,460 -0.164,461 -0.199,463 -0.396,464 -0.13,465 13.948,466 0.481,467 0.836,468 0.029,469 43.5,470 1.5,471 25,472 0.862,473 18.5,474 0.638,475 20.473,476 0.706,477 28.652,478 0.666,479 33.798,480 1.165,481 8.652,482 0.298,483 5.356,484 0.185,485 0.123,487 0.43,493 0.923,494 0.826,495 0.586,496 0.686,497 1.006,498 0.654,499 0.719,500 1.126,501 0.605,502 0.951,503 0.597,504 0.855,505 1.023,506 1.082,507 0.968,508 1.003,509 0.972,510 0.965,511 0.776,512 1.032,513 0.915,514 1.004,515 0.692,516 1.013,517 1.202,518 0.93,519 0.82,520 0.874,521 1.171,522 0.956,523 0.637,524 1.011,525 0.662,526 0.974,527 0.562,528 0.957,529 1.075,530 0.992,531 0.866,532 0.928,533 0.941,534 0.968,535 1.049,536 1.018,537 1.004,538 0.996,539 1.039,540 1.033,541 6,542 0.147,543 3.556,544 3.181,545 1.779,546 1.119,547 0.649,548 0.644,549 0.47,550 0.28,551 10317,552 33601,553 2.15,554 32.6,556 11,559 3,564 1.726,565 2,566 3.273,567 0.857,573 67.984,574 1.581,575 3.391,576 4.229,577 5.019,578 5.24,579 5.24,580 2.667,581 4.513,582 4.831,583 3.414,584 1385.96,585 8.448,586 18079.5,591 233.329,592 1.44,593 4.786,594 0.182,595 0.008,596 0.073,597 0.064,598 0.039,599 0.027,600 0.014,601 0.015,602 0.012,603 0.01,604 0.443,605 0.33,606 0.88,607 0.562,608 144.284,609 -0.144,610 0.112,611 -0.026,612 0.144,613 -0.223,614 0.103,615 -0.032,616 -0.183,617 0.01,618 -0.115,619 0.001,620 -0.067,621 -0.061,622 -0.1,623 -0.103,624 -0.081,625 -0.081,626 -0.076,627 0.221,628 0.002,629 -0.067,630 -0.069,631 0.252,632 -0.083,633 -0.18,634 0.082,635 -0.118,636 0.047,637 -0.211,638 -0.046,639 0.159,640 -0.04,641 0.109,642 -0.036,643 0.182,644 0.005,645 -0.135,646 -0.031,648 0.037,649 -0.091,650 0.003,651 -0.083,652 -0.039,653 -0.015,654 -0.001,655 -0.055,656 -0.019,657 1.927,658 4.625,659 0.828,660 23.986,661 1.021,662 1.097,663 3.018,664 9.106,665 0.744,666 3.526,667 3.912,668 4.248,669 4.595,670 4.844,671 5.004,672 5.17,673 5.371,674 5.489,675 5.568,676 5.973,677 0.73,678 403.83,679 3.526,680 5.106,681 5.994,682 6.911,683 7.817,684 8.741,685 9.655,686 10.582,687 11.501,688 12.429,689 2.3,698 1,703 2,704 10,707 1,709 8,711 22,714 1,728 3,730 1,731 43,733 24,734 3,735 33,737 47,738 23,739 20,740 8,741 10,742 3,746 5,747 7,748 1,761 23,766 2,773 1,774 1,775 2,780 1,781 14,782 5,783 3,784 6,785 1,790 1,794 0.6,795 4,811 2,812 3,815 2,831 1,832 1,840 3,845 1,848 29,853 3,869 1,870 9.3,872 3,875 1,877 14.5,878 7.776,879 6.139,880 2.425,881 5.339,882 1.652,883 0.995,884 4.208,885 13.531,886 3.85,887 4.557,888 5.244,889 5.918,890 6.505,891 6.929,892 7.428,893 7.96,894 8.385,895 8.818,896 0.857,897 50,898 10.713,900 4.838,901 7.935,902 19.903,904 16.926,905 2.435,906 70.611,910 129.482,911 135.668,912 16.786,913 39.149,914 137.557,917 135.668,918 306.188,919 16.786,922 104.239,923 130.807,924 44.68,925 10.285,926 129.482,927 39.149,928 129.482,929 152.453,930 137.557,931 39.149,933 129.482,934 137.557,937 16.786,938 126.191,939 48.625,941 129.482,942 154.343,943 174.816,946 129.482,947 31.429,948 104.239,950 193.492,951 129.482,952 154.343,953 174.816,955 0.597,956 0.356,957 0.203,958 0.113,959 27,960 12,961 0.043,962 2,963 2,964 1.167,965 3.96,966 279.415,967 0.167,968 24,969 136.881,974 18.007,975 6.777,976 3.021,977 0.328,978 154.343,979 17.504,982 5.718,984 2.735,986 128.05,987 458.641,988 46,995 1.686,996 4.737,997 1.482,999 43.92,1000 47.186,1001 0.291,1002 0.625,1003 0.779,1004 0.925,1005 0.966,1006 0.966,1007 5.109,1008 1.739,1009 6.009,1010 5.764,1011 4.595,1012 5.244,1013 0.542,1014 6.887,1015 4.533,1016 6.369,1017 1.527,1018 7.607,1019 5.357,1020 4.29,1021 5.156,1023 7.888,1024 4.168,1025 7.712,1026 1.262,1027 9.304,1028 4.097,1029 6.252,1030 7.56,1031 0.23,1032 11.045,1033 6.152,1034 9.093,1035 1.174,1036 11.059,1037 3.395,1038 6.758,1039 8.296,1041 12.898,1042 6.617,1043 10.505,1044 1,1045 12.852,1046 2.862,1047 8.219,1048 10.176,1049 0.089,1050 15.581,1051 8.09,1052 11.941,1053 0.722,1054 14.673,1055 2.275,1056 9.099,1057 11.316,1059 17.786,1060 8.942,1061 13.397,1062 0.006,1063 16.514,1064 1.923,1065 10.373,1066 12.979,1067 0.033,1068 20.309,1069 10.217,1070 3.301,1071 -0.164,1072 18.371,1073 0.016,1074 11.422,1075 14.32,1077 22.656,1078 11.245,1079 3.205,1080 11.58,1081 20.241,1082 -0.396,1083 12.628,1084 15.894,1085 0.012,1086 25.123,1087 12.444,1088 2.634,1089 11.302,1090 22.122,1091 4.685,1092 13.751,1093 17.331,1095 27.525,1096 13.549,1097 2.482,1098 8.432,1099 24.01,1100 4.242,1101 14.936,1102 18.872,1103 0.004,1104 29.973,1105 14.723,1106 2.246,1107 7.66,1108 25.906,1109 3.652,1110 16.091,1111 20.356,1113 32.397,1114 15.861,1115 2.067,1116 6.284,1117 27.807,1118 3.368,1119 17.27,1120 21.885,1121 0.002,1122 34.839,1123 17.026,1124 1.917,1125 6.051,1126 29.713,1127 3.046,1128 18.439,1129 23.392,1131 37.272,1132 18.179,1133 9611,1134 17473,1135 22.194,1136 32.011,1137 51.637,1138 51.53,1139 52.8,1140 50.86,1141 50.563,1142 69.954,1143 1.2,1144 153.995,1145 48.697,1146 5.547,1147 5.426,1148 6.585,1149 5.307,1150 5.301,1151 7.685,1152 1.2,1153 18.925,1154 5.249,1155 13.967,1156 1.565,1157 1.562,1158 1.6,1159 1.541,1160 1.532,1161 2.12,1162 0.036,1163 4.667,1164 1.476,1165 4.137,1166 4.139,1167 4.123,1168 4.048,1169 6.505,1170 4.062,1171 4.008,1172 4.021,1173 4.016,1174 3.934,1175 6.463,1176 3.943,1177 3.836,1178 3.859,1179 3.896,1180 3.793,1181 6.44,1182 3.783,1183 3.506,1184 3.522,1185 3.473,1186 3.408,1187 5.037,1188 3.411,1189 3.294,1190 3.315,1191 3.37,1192 3.159,1193 4.953,1194 3.175,1195 3.023,1196 3.03,1197 3.102,1198 2.842,1199 4.844,1200 2.845,1201 2.934,1202 2.98,1203 2.946,1204 2.786,1205 4.414,1206 2.806,1207 2.854,1208 2.925,1209 2.804,1210 2.735,1211 4.161,1212 2.715,1213 0.143,1214 0.104,1215 0.209,1216 0.13,1217 0.1,1218 4.721,1219 0.142,1220 3.426,1221 0.018,1222 6.904,1223 0.351,1224 4.286,1225 0.098,1226 3.301,1227 4.685,1228 0.6,1229 11.58,1230 3.249,1231 1.913,1232 1.897,1233 1.993,1234 1.994,1235 1.131,1236 1.984,1237 1.892,1238 1.885,1239 1.976,1240 1.972,1241 1.087,1242 1.976,1243 1.877,1244 1.854,1245 1.948,1246 1.951,1247 1.069,1248 1.963,1249 1.57,1250 1.56,1251 1.651,1252 1.714,1253 0.749,1254 1.69,1255 1.207,1256 1.197,1257 1.276,1258 1.385,1259 0.353,1260 1.352,1261 0.966,1262 0.947,1263 1.181,1264 1.211,1265 0.218,1266 1.161,1267 0.913,1268 0.891,1269 1.114,1270 1.133,1271 0.181,1272 1.115,1273 0.886,1274 0.821,1275 1.087,1276 1.062,1277 0.15,1278 1.107,1279 4.205,1281 5.572,1282 3.045,1283 7.13,1284 5.533,1285 8.776,1286 7.735,1287 10.47,1290 6.021,1294 30.401,1305 31.396,1306 67.984,1307 145.792,1308 181.845,1309 215.82,1310 225.329,1311 225.329,1312 53.071,1313 8.192,1314 86.72,1315 86.72,1316 28,1317 12.934,1318 4.644,1319 3.807,1320 39.335,1321 101,1322 113,1323 0.187,1324 190.411,1325 330.75,1326 456.362,1327 42344,1328 2.3,1329 20.121,1330 0.694,1331 0.541,1332 20.621,1333 15.682,1334 14.008,1335 0.424,1336 0.28,1337 8.788,1338 13.321,1339 8.6,1340 7.054,1341 14.297,1342 9.224,1343 13.274,1344 0.271,1345 0.146,1346 13.682,1347 7.132,1348 11.52,1349 0.167,1350 0.074,1351 11.809,1352 5.083,1353 10.346,1354 0.106,1355 0.037,1356 10.513,1357 3.631,1358 8.3,1359 0.066,1360 0.02,1361 8.514,1362 2.518,1363 0.285,1364 90.18,1365 0.212,1366 26.902,1367 0.54,1368 164,1369 494.033,1370 192.092,1371 512.141,1372 698.1,1373 476,1374 200,1375 505.043,1376 222.998,1377 521.136,1378 772.24,1379 493,1380 6.266}
{0 CHEMBL1091882,1 1.567,2 9.375,3 3.212,4 10.315,5 87.524,6 8.738,7 0.593,8 3.779,9 3.84,10 3.461,11 3.324,12 5.087,13 3.358,14 4.219,15 4.304,16 3.856,17 3.704,18 5.506,19 3.739,20 4.403,21 4.496,22 3.905,23 3.772,24 5.743,25 3.796,26 4.481,27 4.613,28 3.844,29 3.726,30 5.924,31 3.719,32 4.401,33 4.564,34 3.613,35 3.559,36 5.639,37 3.546,38 4.231,39 4.398,40 3.545,41 3.478,42 5.541,43 3.46,44 4.132,45 4.28,46 3.44,47 3.402,48 5.391,49 3.387,50 4.092,51 4.259,52 3.415,53 3.289,54 5.415,55 3.287,56 0.182,57 0.468,58 5.648,59 3.386,60 18.389,61 3.079,62 0.282,63 0.737,64 9.687,65 5.313,66 19.742,67 5.15,68 0.491,69 0.862,70 12.55,71 6.331,72 43.275,73 5.944,74 0.713,75 0.932,76 15.483,77 6.99,78 72.849,79 7.594,80 0.608,81 0.839,82 16.803,83 6.613,84 58.613,85 7.031,86 0.475,87 0.735,88 13.612,89 5.629,90 53.423,91 6.476,92 0.422,93 0.678,94 11.209,95 4.789,96 35.848,97 5.028,98 0.422,99 0.635,100 11.925,101 4.797,102 38.856,103 5.522,104 18,105 40,106 0.278,107 0.667,108 0.799,109 0.877,110 0.9,111 0.9,112 3.229,113 0.798,114 -2.37,115 -2.4,116 -2.36,119 48.6,124 1,135 1,136 1,142 5,143 2,144 5,152 2,154 1,172 4,175 8,180 5,183 7,187 6,190 1,192 1,195 5,199 3,202 2,203 2,204 5,207 4,211 2,212 2,217 2,220 4,224 2,227 1,228 1,229 3,232 3,236 1,237 2,242 3,245 3,250 2,253 2,255 3,258 3,263 1,266 1,268 2,271 2,275 720,276 16.196,277 16.196,278 16.196,279 16.196,280 16.196,281 13.942,282 17.635,283 9.177,284 16.529,285 13.255,286 13.255,287 13.255,288 13.255,289 13.255,290 9.678,291 19.632,292 4.286,293 13.734,294 3.643,295 1.447,296 0.699,297 0.257,298 0.129,299 0.129,300 3.924,303 1,304 1,305 1,306 494,307 2.646,310 91.035,311 117.27,314 174.879,318 1.323,319 33.65,320 1,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 53.5,331 225,332 4.709,333 3.369,334 6.877,335 4.252,336 3.268,337 4.684,338 0.86,339 11.416,340 3.212,341 4.468,342 3.202,343 6.551,344 4.067,345 3.083,346 4.13,347 0.6,348 10.382,349 3.032,350 3.892,351 2.736,352 5.739,353 3.469,354 2.501,355 3.392,357 7.689,358 2.418,359 3.689,360 2.661,361 5.283,362 3.268,363 2.327,364 3.077,366 6.685,367 2.185,368 3.458,369 2.307,370 5.155,371 3.025,372 2.066,373 2.823,375 6.129,376 1.971,377 3.352,378 2.046,379 5.073,380 2.9,381 1.926,382 2.65,384 5.833,385 1.867,386 3.128,387 1.91,388 4.934,389 2.72,390 1.746,391 2.332,393 5.364,394 1.695,395 2.797,396 1.648,397 4.273,398 2.253,399 1.292,400 1.824,402 3.568,403 1.237,404 2.56,405 1.464,406 4.084,407 2.113,408 1.165,409 1.538,411 3.183,412 1.096,413 2.333,414 1.077,415 3.297,416 1.726,417 0.783,418 1.122,420 1.786,421 0.733,422 1.665,423 0.839,424 2.993,425 1.297,426 0.413,427 0.499,428 0.676,429 0.362,430 1.223,431 0.288,432 2.776,433 0.913,434 -0.046,435 -0.055,436 -0.12,437 -0.043,438 1.142,439 0.005,440 2.723,441 0.742,442 -0.191,443 -0.246,445 -0.502,446 -0.177,447 0.934,448 -0.071,449 2.509,450 0.477,451 -0.462,452 -0.594,454 -1.13,455 -0.425,456 0.673,457 -0.248,458 2.274,459 0.273,460 -0.644,461 -0.802,463 -1.466,464 -0.578,465 11.067,466 0.461,467 0.695,468 0.029,469 35.25,470 1.469,471 19.5,472 0.813,473 15.75,474 0.656,475 15.322,476 0.638,477 24.933,478 0.674,479 25.994,480 1.083,481 7.179,482 0.299,483 4.384,484 0.183,485 0.136,487 0.452,493 1.001,494 0.963,495 0.715,496 0.86,497 1.049,498 0.738,499 0.947,500 0.996,501 0.676,502 0.897,503 0.663,504 0.745,505 1.102,506 1.105,507 0.972,508 1.06,509 1.044,510 0.995,511 0.738,512 1.13,513 0.975,514 1.159,515 0.683,516 1.142,517 1.182,518 0.926,519 1.088,520 0.962,521 1.188,522 0.995,523 0.804,524 0.99,525 0.86,526 0.937,527 0.716,528 0.925,529 0.973,530 1.032,531 1.098,532 1.02,533 1.083,534 1.065,535 0.834,536 1.026,537 0.837,538 0.994,539 0.881,540 0.935,541 5.5,542 0.09,543 2.889,544 2.646,545 1.458,546 0.862,547 0.453,548 0.335,549 0.277,550 0.164,551 6229,552 20074,553 2.11,554 35.1,556 9,558 1,559 3,564 1.67,565 1.946,566 3.206,567 0.998,568 1,569 1,571 1,573 57.976,574 1.567,575 3.763,576 4.51,577 4.952,578 5.081,579 5.081,580 2.622,581 4.418,582 4.559,583 3.328,584 918.394,585 7.872,586 10485.7,587 1,588 1,589 1,590 1,591 192.75,592 1.483,593 4.504,594 0.204,595 0.009,596 0.072,597 0.066,598 0.042,599 0.031,600 0.017,601 0.014,602 0.012,603 0.01,604 0.477,605 0.5,606 1,607 0.813,608 112.606,609 -0.169,610 0.044,611 -0.02,612 0.1,613 -0.234,614 0.09,615 -0.122,616 0.016,617 0.079,618 0.063,619 -0.021,620 0.12,621 -0.115,622 -0.117,623 -0.145,624 -0.106,625 -0.123,626 -0.128,627 0.227,628 -0.149,629 -0.042,630 -0.198,631 0.27,632 -0.2,633 -0.115,634 0.025,635 -0.049,636 0.017,637 -0.153,638 0.002,639 0.076,640 -0.013,641 0.131,642 0.044,643 0.168,644 0.085,645 -0.066,646 -0.008,647 -0.168,648 -0.069,649 -0.157,650 -0.123,651 0.109,652 -0.043,653 0.179,654 -0.022,655 0.098,656 0.068,657 1.918,658 4.321,659 0.75,660 17.083,661 1.028,662 1.109,663 1.136,664 1.29,665 0.699,666 3.332,667 3.714,668 4.043,669 4.369,670 4.564,671 4.7,672 4.812,673 4.956,674 4.99,675 5.069,676 5.54,677 0.696,678 323.32,679 3.332,680 4.905,681 5.79,682 6.703,683 7.603,684 8.521,685 9.427,686 10.346,687 11.254,688 12.174,689 2.7,698 1,703 2,704 5,707 1,709 7,711 16,728 3,729 1,731 37,733 18,734 2,735 27,737 40,738 18,739 14,740 7,741 5,742 3,746 4,747 6,761 17,762 1,766 2,773 2,774 1,775 1,777 1,778 1,780 1,781 13,782 6,783 3,784 6,790 1,794 0.5,795 5,811 2,812 2,815 2,823 1,831 1,832 1,840 2,844 1,848 24,853 3,856 1,870 13.5,872 3,875 2,877 12.333,878 6.967,879 5.167,880 1.961,881 4.256,882 1.561,883 0.951,884 3.423,885 11.844,886 3.638,887 4.341,888 5.035,889 5.71,890 6.27,891 6.701,892 7.156,893 7.641,894 7.988,895 8.407,896 1,897 40,898 8.852,900 3.957,901 8.028,902 16.274,904 13.549,905 2.528,906 60.667,910 117.711,911 104.017,912 16.786,914 148.557,917 104.017,918 266.268,919 16.786,920 10.883,922 56.857,923 148.869,924 54.237,925 10.285,926 105.94,928 117.711,929 120.803,930 148.557,933 117.711,934 148.557,937 16.786,938 85.494,939 18.524,941 117.711,942 165.343,943 104.017,946 117.711,947 27.229,948 76.788,950 165.343,951 117.711,952 165.343,953 104.017,955 0.595,956 0.362,957 0.203,958 0.107,959 22,960 10,961 0.05,962 2,963 2,964 1.222,965 3.558,966 207.504,967 0.222,968 18,969 110.039,974 14.961,975 5.49,976 2.429,977 0.345,978 165.343,979 7.978,982 5.555,984 1.909,986 128.05,987 387.071,988 37,995 3.286,996 4.306,997 0.738,999 38.04,1000 41.037,1001 0.301,1002 0.722,1003 0.866,1004 0.951,1005 0.975,1006 0.975,1007 4.898,1008 1.292,1009 5.808,1010 5.364,1011 4.394,1012 5.027,1013 1.163,1014 6.681,1015 4.332,1016 6.159,1017 1.165,1018 7.407,1019 3.568,1020 4.111,1021 4.997,1023 7.67,1024 4.018,1025 7.505,1026 0.783,1027 9.101,1028 3.183,1029 6.052,1030 7.361,1031 0.856,1032 10.804,1033 5.952,1034 8.89,1035 0.413,1036 10.849,1037 1.786,1038 6.567,1039 8.15,1041 12.623,1042 6.441,1043 10.305,1044 -0.046,1045 12.634,1046 0.676,1047 8.009,1048 10.002,1049 0.643,1050 15.285,1051 7.88,1052 11.743,1053 -0.191,1054 14.444,1055 -0.12,1056 8.887,1057 11.182,1059 17.456,1060 8.737,1061 13.199,1062 -0.462,1063 16.274,1064 -0.502,1065 10.146,1066 12.832,1067 0.49,1068 19.956,1069 9.99,1070 3.268,1071 -0.644,1072 18.12,1073 -1.13,1074 11.187,1075 14.2,1077 22.271,1078 11.012,1079 3.083,1080 11.416,1081 19.978,1082 -1.466,1083 12.38,1084 15.77,1085 0.375,1086 24.714,1087 12.196,1088 2.501,1089 10.382,1090 21.847,1091 4.684,1092 13.492,1093 17.225,1095 27.089,1096 13.29,1097 2.327,1098 7.689,1099 23.724,1100 4.13,1101 14.663,1102 18.766,1103 0.286,1104 29.513,1105 14.449,1106 2.066,1107 6.685,1108 25.609,1109 3.392,1110 15.805,1111 20.262,1113 31.912,1114 15.575,1115 1.926,1116 6.129,1117 27.499,1118 3.077,1119 16.972,1120 21.794,1121 0.218,1122 34.332,1123 16.726,1124 1.746,1125 5.833,1126 29.393,1127 2.823,1128 18.128,1129 23.309,1131 36.742,1132 17.866,1133 5935,1134 10771,1135 17.918,1136 25.847,1137 41.954,1138 42.12,1139 43.332,1140 41.154,1141 41.142,1142 56.141,1143 2.92,1144 125.425,1145 39.619,1146 5.388,1147 5.369,1148 6.427,1149 5.27,1150 5.268,1151 7.684,1152 1.72,1153 18.606,1154 5.212,1155 12.267,1156 1.554,1157 1.56,1158 1.605,1159 1.524,1160 1.524,1161 2.079,1162 0.108,1163 4.645,1164 1.467,1165 4.127,1166 4.125,1167 4.107,1168 4.027,1169 6.505,1170 4.045,1171 3.977,1172 3.993,1173 3.944,1174 3.9,1175 6.463,1176 3.909,1177 3.536,1178 3.555,1179 3.476,1180 3.42,1181 6.44,1182 3.428,1183 3.357,1184 3.38,1185 3.29,1186 3.16,1187 5.033,1188 3.187,1189 3.148,1190 3.216,1191 2.976,1192 2.922,1193 4.922,1194 2.923,1195 3.02,1196 3.027,1197 2.937,1198 2.792,1199 4.634,1200 2.821,1201 2.88,1202 2.944,1203 2.745,1204 2.72,1205 4.125,1206 2.712,1207 2.686,1208 2.739,1209 2.562,1210 2.542,1211 4.053,1212 2.537,1213 0.174,1214 0.125,1215 0.255,1216 0.157,1217 0.121,1218 4.709,1219 0.173,1220 3.369,1221 0.032,1222 6.877,1223 0.423,1224 4.252,1225 0.119,1226 3.268,1227 4.684,1228 0.86,1229 11.416,1230 3.212,1231 1.895,1232 1.89,1233 1.962,1234 1.994,1235 1.111,1236 1.977,1237 1.877,1238 1.863,1239 1.947,1240 1.961,1241 1.081,1242 1.96,1243 1.606,1244 1.59,1245 1.699,1246 1.756,1247 0.769,1248 1.734,1249 1.229,1250 1.201,1251 1.564,1252 1.517,1253 0.571,1254 1.528,1255 1.183,1256 1.124,1257 1.319,1258 1.427,1259 0.346,1260 1.395,1261 0.936,1262 0.928,1263 1.088,1264 1.209,1265 0.128,1266 1.155,1267 0.863,1268 0.809,1269 1.068,1270 1.119,1271 0.109,1272 1.091,1273 0.776,1274 0.727,1275 1.049,1276 1.015,1277 0.081,1278 1.012,1279 4.007,1281 5.371,1282 3.045,1283 6.923,1284 5.476,1285 8.564,1286 7.627,1287 10.254,1289 1.585,1294 29.742,1297 5.222,1305 25.756,1306 57.976,1307 139.224,1308 166.875,1309 183.24,1310 187.995,1311 187.995,1312 43.736,1313 7.588,1314 95.95,1315 95.95,1316 22,1317 12.685,1318 4.248,1319 3.459,1320 33.846,1321 81,1322 79,1323 0.212,1324 154.288,1325 269.01,1326 368.223,1327 19786,1329 16.845,1330 0.702,1331 0.527,1332 16.845,1333 12.647,1334 11.563,1335 0.428,1336 0.266,1337 7.051,1338 11.02,1339 6.903,1340 5.691,1341 11.563,1342 7.182,1343 10.831,1344 0.271,1345 0.135,1346 10.831,1347 5.394,1348 9.49,1349 0.169,1350 0.07,1351 9.49,1352 3.9,1353 8.445,1354 0.108,1355 0.035,1356 8.445,1357 2.744,1358 6.38,1359 0.067,1360 0.018,1361 6.38,1362 1.756,1363 0.325,1364 73.495,1365 0.236,1366 23.039,1367 0.599,1368 134,1369 447.565,1370 149.118,1371 425.097,1372 580.82,1373 396,1374 163,1375 433.374,1376 178.398,1377 436.754,1378 643.27,1379 410,1380 7.523}
{0 CHEMBL1091883,1 1.499,2 11.552,3 4.788,4 22.928,5 107.302,6 8.759,7 0.667,8 3.945,9 4.006,10 3.638,11 3.542,12 5.233,13 3.562,14 4.378,15 4.452,16 4.033,17 3.919,18 5.664,19 3.938,20 4.625,21 4.739,22 4.063,23 3.97,24 5.908,25 3.979,26 4.631,27 4.771,28 3.996,29 3.897,30 6.025,31 3.889,32 4.522,33 4.658,34 3.84,35 3.812,36 5.773,37 3.799,38 4.479,39 4.641,40 3.816,41 3.828,42 5.732,43 3.79,44 4.433,45 4.591,46 3.783,47 3.795,48 5.627,49 3.762,50 4.405,51 4.565,52 3.736,53 3.709,54 5.676,55 3.681,56 0.154,57 0.524,58 6.401,59 3.885,60 18.184,61 3.597,62 0.167,63 0.828,64 9.735,65 6.082,66 12.844,67 6.03,68 0.527,69 1.056,70 16.847,71 8.026,72 47.961,73 7.703,74 0.746,75 1.081,76 18.65,77 8.23,78 80.686,79 8.777,80 0.548,81 0.956,82 16.858,83 7.443,84 54.436,85 7.333,86 0.449,87 0.95,88 16.311,89 7.438,90 52.925,91 8.56,92 0.404,93 0.914,94 15.193,95 6.974,96 39.431,97 7.851,98 0.415,99 0.91,100 14.556,101 6.523,102 39.663,103 7.332,104 10,105 48,106 0.253,107 0.547,108 0.713,109 0.851,110 0.89,111 0.89,112 3.408,113 0.808,114 -3.26,115 -3.25,116 -3.12,119 52.3,135 1,136 1,142 10,143 2,144 6,152 2,154 1,172 8,175 10,180 5,183 11,187 8,190 1,192 1,195 7,199 4,202 2,203 2,204 5,207 8,211 2,212 2,217 2,220 12,224 2,227 1,228 1,229 3,232 11,236 1,237 4,242 3,245 9,250 4,253 2,255 3,258 6,263 4,266 1,268 2,271 3,275 1339,276 19.756,277 19.756,278 19.756,279 19.756,280 19.756,281 16.751,282 19.792,283 11.49,284 20.032,285 16.327,286 16.327,287 16.327,288 16.327,289 16.327,290 11.756,291 23.12,292 5.522,293 16.839,294 3.96,295 2.213,296 1.233,297 0.415,298 0.182,299 0.182,300 4.119,304 1,305 1,306 748,307 2.739,310 117.765,311 238.252,314 222.383,318 1.843,319 35.964,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 63.5,331 335,332 4.709,333 3.369,334 6.877,335 4.252,336 3.268,337 4.684,338 0.86,339 11.416,340 3.212,341 4.471,342 3.223,343 6.552,344 4.069,345 3.087,346 4.133,347 0.6,348 10.387,349 3.033,350 3.973,351 2.981,352 5.74,353 3.558,354 2.62,355 3.492,357 7.758,358 2.459,359 3.865,360 2.679,361 5.555,362 3.445,363 2.478,364 3.373,366 7.539,367 2.387,368 3.619,369 2.338,370 5.175,371 3.156,372 2.183,373 3.032,375 6.231,376 2.117,377 3.451,378 2.29,379 5.102,380 3.013,381 2.054,382 2.82,384 6.012,385 1.963,386 3.345,387 2.041,388 4.993,389 2.892,390 1.919,391 2.645,393 5.792,394 1.861,395 3.128,396 1.91,397 4.932,398 2.719,399 1.746,400 2.332,402 5.363,403 1.694,404 2.885,405 1.64,406 4.272,407 2.405,408 1.429,409 2.035,411 3.573,412 1.388,413 2.773,414 1.484,415 4.083,416 2.245,417 1.281,418 1.809,420 3.204,421 1.23,422 2.557,423 1.45,424 3.593,425 2.106,426 1.153,427 1.533,428 3.008,429 1.091,430 2.5,431 1,432 3.291,433 2,434 1,435 1.5,436 2.136,437 1,438 2.327,439 0.894,440 3.247,441 1.683,442 0.726,443 1.094,445 1.754,446 0.693,447 1.451,448 0.402,449 2.993,450 1.039,451 0.095,452 0.124,454 0.257,455 0.089,456 1.165,457 0.272,458 2.837,459 0.827,460 -0.108,461 -0.129,463 -0.29,464 -0.099,465 13.567,466 0.468,467 0.763,468 0.026,469 44.25,470 1.526,471 25.5,472 0.879,473 18.75,474 0.647,475 18.682,476 0.644,477 29.033,478 0.66,479 33.586,480 1.158,481 8.916,482 0.307,483 5.165,484 0.178,485 0.074,487 0.405,493 0.973,494 0.89,495 0.702,496 0.804,497 1.037,498 0.71,499 0.828,500 1.144,501 0.71,502 1.077,503 0.625,504 0.911,505 1.215,506 1.06,507 1.016,508 1.027,509 1.039,510 0.982,511 0.886,512 1.016,513 0.966,514 1.028,515 0.72,516 1.017,517 1.281,518 0.915,519 1.133,520 0.947,521 1.256,522 0.994,523 0.727,524 0.963,525 0.883,526 0.939,527 0.68,528 0.954,529 0.78,530 1.01,531 0.913,532 0.945,533 0.877,534 0.959,535 0.782,536 1.132,537 0.977,538 1.067,539 0.823,540 1.066,541 6,542 0.151,543 2.889,544 2.833,545 1.529,546 0.813,547 0.625,548 0.425,549 0.307,550 0.196,551 11605,552 34609,553 2.171,554 34.1,556 11,558 1,559 3,564 1.719,565 2.047,566 3.486,567 0.857,573 65.96,574 1.499,575 3.247,576 4.227,577 5.044,578 5.278,579 5.278,580 2.928,581 4.513,582 4.83,583 3.65,584 1482,585 8.408,586 19894.1,588 1,591 240.215,592 1.361,593 4.797,594 0.182,595 0.007,596 0.06,597 0.06,598 0.036,599 0.022,600 0.017,601 0.012,602 0.009,603 0.008,604 0.414,605 0.5,606 0.88,607 0.506,608 147.187,609 -0.144,610 0.066,611 -0.012,612 0.108,613 -0.226,614 0.09,615 -0.052,616 -0.18,617 0.005,618 -0.166,619 -0.002,620 -0.088,621 -0.111,622 -0.091,623 -0.105,624 -0.076,625 -0.106,626 -0.085,627 0.21,628 -0.031,629 0.023,630 -0.06,631 0.285,632 -0.063,633 -0.146,634 0.054,635 -0.152,636 0.026,637 -0.192,638 -0.049,639 0.087,640 0.014,641 0.083,642 0.046,643 0.137,644 0.055,645 0.024,646 -0.019,647 0.033,648 0.029,649 -0.046,650 0.032,651 0.074,652 -0.097,653 -0.017,654 -0.112,655 0.047,656 -0.094,657 1.926,658 4.47,659 0.828,660 27.639,661 1.021,662 1.101,663 2.035,664 4.139,665 0.718,666 3.526,667 3.892,668 4.205,669 4.533,670 4.736,671 4.852,672 5.017,673 5.204,674 5.283,675 5.407,676 6.759,677 0.711,678 385.39,679 3.526,680 5.094,681 5.969,682 6.872,683 7.762,684 8.671,685 9.567,686 10.479,687 11.381,688 12.294,689 2.3,698 1,703 2,704 10,707 1,709 8,711 22,728 3,729 1,731 44,733 24,734 3,735 33,737 48,738 23,739 20,740 8,741 10,742 3,746 5,747 7,761 23,766 2,773 2,774 1,775 1,780 1,781 15,782 6,783 3,784 6,790 1,794 0.6,795 5,811 2,812 3,815 2,823 1,831 1,832 1,840 3,848 29,853 3,856 1,870 11.4,872 3,875 2,877 14.167,878 7.883,879 6.167,880 2.447,881 5.209,882 1.629,883 0.985,884 4.213,885 13.488,886 3.85,887 4.535,888 5.201,889 5.865,890 6.427,891 6.809,892 7.292,893 7.811,894 8.188,895 8.633,896 0.875,897 47,898 10.706,900 4.795,901 7.925,902 19.877,904 16.681,905 2.425,906 70.333,909 1,910 141.253,911 145.759,912 16.786,914 148.557,917 145.759,918 289.81,919 16.786,922 104.239,923 148.869,924 59.48,925 10.285,926 129.482,928 141.253,929 162.544,930 148.557,933 141.253,934 148.557,937 16.786,938 127.235,939 18.524,941 141.253,942 165.343,943 145.759,946 141.253,947 32.473,948 113.286,950 165.343,951 141.253,952 165.343,953 145.759,955 0.591,956 0.349,957 0.199,958 0.104,959 26,960 11,961 0.063,962 3,963 2,964 1.167,965 4.113,966 268.659,967 0.167,968 24,969 136.881,974 17.704,975 6.901,976 3.214,977 0.328,978 165.343,979 17.491,982 5.624,984 2.513,986 128.05,987 452.355,988 46,995 3.3,996 4.379,997 0.719,999 44.924,1000 48.452,1001 0.275,1002 0.595,1003 0.774,1004 0.924,1005 0.967,1006 0.967,1007 5.097,1008 1.746,1009 5.969,1010 5.792,1011 4.575,1012 5.223,1013 1.163,1014 6.815,1015 4.514,1016 6.343,1017 1.429,1018 7.545,1019 5.363,1020 4.205,1021 5.085,1023 7.743,1024 4.101,1025 7.672,1026 1.281,1027 9.219,1028 3.573,1029 6.201,1030 7.517,1031 0.856,1032 10.884,1033 6.093,1034 9.04,1035 1.153,1036 10.95,1037 3.204,1038 6.648,1039 8.217,1041 12.67,1042 6.506,1043 10.439,1044 1,1045 12.72,1046 3.008,1047 8.124,1048 10.114,1049 0.643,1050 15.329,1051 7.978,1052 11.862,1053 0.726,1054 14.518,1055 2.136,1056 8.956,1057 11.233,1059 17.483,1060 8.786,1061 13.305,1062 0.095,1063 16.338,1064 1.754,1065 10.23,1066 12.905,1067 0.49,1068 19.979,1069 10.053,1070 3.268,1071 -0.108,1072 18.174,1073 0.257,1074 11.243,1075 14.236,1077 22.287,1078 11.047,1079 3.087,1080 11.416,1081 20.025,1082 -0.29,1083 12.44,1084 15.815,1085 0.375,1086 24.726,1087 12.235,1088 2.62,1089 10.387,1090 21.887,1091 4.684,1092 13.535,1093 17.249,1095 27.097,1096 13.314,1097 2.478,1098 7.758,1099 23.758,1100 4.133,1101 14.706,1102 18.793,1103 0.286,1104 29.52,1105 14.473,1106 2.183,1107 7.539,1108 25.637,1109 3.492,1110 15.839,1111 20.277,1113 31.917,1114 15.591,1115 2.054,1116 6.231,1117 27.523,1118 3.373,1119 17.002,1120 21.81,1121 0.218,1122 34.335,1123 16.742,1124 1.919,1125 6.012,1126 29.413,1127 3.032,1128 18.153,1129 23.319,1131 36.745,1132 17.877,1133 10685,1134 18623,1135 22.482,1136 31.608,1137 51.076,1138 50.856,1139 51.358,1140 50.184,1141 50.076,1142 69.212,1143 2.92,1144 148.861,1145 48.432,1146 5.48,1147 5.369,1148 6.679,1149 5.317,1150 5.268,1151 7.684,1152 1.72,1153 18.606,1154 5.212,1155 12.124,1156 1.548,1157 1.541,1158 1.556,1159 1.521,1160 1.517,1161 2.097,1162 0.088,1163 4.511,1164 1.468,1165 4.129,1166 4.128,1167 4.109,1168 4.03,1169 6.505,1170 4.047,1171 3.989,1172 4.003,1173 3.955,1174 3.908,1175 6.463,1176 3.918,1177 3.86,1178 3.888,1179 3.795,1180 3.795,1181 6.44,1182 3.79,1183 3.514,1184 3.53,1185 3.458,1186 3.411,1187 5.04,1188 3.417,1189 3.314,1190 3.334,1191 3.26,1192 3.147,1193 4.945,1194 3.171,1195 3.024,1196 3.033,1197 2.952,1198 2.828,1199 4.799,1200 2.843,1201 2.968,1202 3.001,1203 2.88,1204 2.789,1205 4.454,1206 2.812,1207 2.854,1208 2.925,1209 2.708,1210 2.735,1211 4.093,1212 2.715,1213 0.143,1214 0.102,1215 0.208,1216 0.129,1217 0.099,1218 4.709,1219 0.142,1220 3.369,1221 0.026,1222 6.877,1223 0.346,1224 4.252,1225 0.097,1226 3.268,1227 4.684,1228 0.86,1229 11.416,1230 3.212,1231 1.911,1232 1.897,1233 2.012,1234 2.005,1235 1.115,1236 2.006,1237 1.892,1238 1.886,1239 1.95,1240 1.994,1241 1.085,1242 1.977,1243 1.83,1244 1.806,1245 1.932,1246 1.9,1247 1.028,1248 1.913,1249 1.603,1250 1.587,1251 1.695,1252 1.753,1253 0.766,1254 1.731,1255 1.218,1256 1.199,1257 1.321,1258 1.442,1259 0.346,1260 1.403,1261 0.972,1262 0.954,1263 1.181,1264 1.217,1265 0.218,1266 1.168,1267 0.923,1268 0.914,1269 1.119,1270 1.162,1271 0.173,1272 1.132,1273 0.886,1274 0.821,1275 1.087,1276 1.089,1277 0.126,1278 1.107,1279 4.205,1281 5.557,1282 3.045,1283 7.096,1284 5.476,1285 8.722,1286 7.627,1287 10.396,1294 30.093,1297 5.886,1305 31.283,1306 65.96,1307 142.857,1308 185.976,1309 221.95,1310 232.215,1311 232.215,1312 50.825,1313 8.279,1314 95.95,1315 95.95,1316 28,1317 12.81,1318 4.644,1319 3.807,1320 39.662,1321 117,1322 121,1323 0.164,1324 186.074,1325 324.33,1326 445.781,1327 49976,1329 19.957,1330 0.688,1331 0.518,1332 19.957,1333 15.034,1334 14.081,1335 0.427,1336 0.269,1337 8.771,1338 13.57,1339 8.633,1340 7.104,1341 14.081,1342 8.889,1343 13.162,1344 0.274,1345 0.138,1346 13.162,1347 6.605,1348 11.304,1349 0.171,1350 0.07,1351 11.304,1352 4.643,1353 10.183,1354 0.111,1355 0.036,1356 10.183,1357 3.305,1358 7.868,1359 0.07,1360 0.019,1361 7.868,1362 2.138,1363 0.258,1364 88.302,1365 0.211,1366 27.501,1367 0.449,1368 162,1369 507.565,1370 178.447,1371 488.549,1372 675.55,1373 456,1374 195,1375 514.101,1376 211.727,1377 516.224,1378 760.83,1379 488,1380 5.724}
{0 CHEMBL1091884,1 1.526,2 8.652,3 3.167,4 10.027,5 85.537,6 8.537,7 0.615,8 3.741,9 3.809,10 3.407,11 3.327,12 5.025,13 3.342,14 4.181,15 4.274,16 3.822,17 3.716,18 5.448,19 3.729,20 4.403,21 4.519,22 3.871,23 3.781,24 5.715,25 3.788,26 4.458,27 4.597,28 3.807,29 3.733,30 5.889,31 3.71,32 4.355,33 4.507,34 3.567,35 3.58,36 5.585,37 3.552,38 4.305,39 4.491,40 3.521,41 3.518,42 5.576,43 3.476,44 4.167,45 4.339,46 3.371,47 3.411,48 5.377,49 3.379,50 4.037,51 4.203,52 3.307,53 3.319,54 5.316,55 3.28,56 0.131,57 0.448,58 5.732,59 3.267,60 17.614,61 3.168,62 0.131,63 0.717,64 9.218,65 5.234,66 13.572,67 5.643,68 0.4,69 0.888,70 13.565,71 6.25,72 42.5,73 6.344,74 0.619,75 0.921,76 15.532,77 6.931,78 72.797,79 7.807,80 0.439,81 0.815,82 15.163,83 6.345,84 50.791,85 6.601,86 0.437,87 0.791,88 15.603,89 6.32,90 51.323,91 7.548,92 0.359,93 0.684,94 13.365,95 5.318,96 48.055,97 5.746,98 0.245,99 0.619,100 10.608,101 4.656,102 28.819,103 5.385,104 17,105 39,106 0.272,107 0.653,108 0.764,109 0.864,110 0.897,111 0.897,112 3.19,113 0.818,114 -2.87,115 -2.88,116 -2.78,119 50,120 1,135 1,136 1,142 6,143 2,144 4,152 2,156 1,172 6,175 7,180 5,183 10,187 4,190 1,192 1,195 8,199 3,202 2,203 2,204 5,207 7,211 1,212 2,217 2,220 6,224 3,227 1,228 1,229 4,232 4,237 2,242 4,245 5,250 1,253 1,255 4,258 5,266 1,268 4,271 3,275 636,276 15.378,277 15.378,278 15.378,279 15.378,280 15.378,281 13.005,282 13.498,283 8.752,284 15.538,285 12.828,286 12.828,287 12.828,288 12.828,289 12.828,290 9.237,291 15.28,292 4.158,293 13.131,294 3.643,295 1.505,296 0.883,297 0.32,298 0.132,299 0.132,300 3.883,303 1,304 1,305 1,306 440,307 2.449,310 83.68,311 109.886,314 162.797,318 1.176,319 30.65,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50.5,331 199,332 4.714,333 3.406,334 6.883,335 4.264,336 3.28,337 4.685,338 0.986,339 11.441,340 3.225,341 4.534,342 3.323,343 6.716,344 4.134,345 3.151,346 4.17,348 10.906,349 3.096,350 3.87,351 2.681,352 5.742,353 3.452,354 2.483,355 3.369,357 7.683,358 2.404,359 3.592,360 2.374,361 5.435,362 3.148,363 2.167,364 2.968,366 6.587,367 2.121,368 3.436,369 2.3,370 5.14,371 2.992,372 2.028,373 2.806,375 6.029,376 1.946,377 3.285,378 2.014,379 4.96,380 2.81,381 1.835,382 2.546,384 5.521,385 1.783,386 3.092,387 1.9,388 4.757,389 2.637,390 1.672,391 2.26,393 4.933,394 1.61,395 2.81,396 1.492,397 4.252,398 2.349,399 1.354,400 1.933,402 3.426,403 1.346,404 2.599,405 1.407,406 3.62,407 2.186,408 1.242,409 1.607,411 2.935,412 1.161,413 2.349,414 0.86,415 3.557,416 1.759,417 0.771,418 1.173,420 2.034,421 0.76,422 1.327,423 0.302,424 2.965,425 0.977,426 0.007,427 0.008,428 0.018,429 0.006,430 1.144,431 0.157,432 2.724,433 0.744,434 -0.182,435 -0.228,436 -0.468,437 -0.166,438 0.973,439 -0.069,440 2.527,441 0.591,442 -0.372,443 -0.468,445 -0.968,446 -0.355,447 0.689,448 -0.181,449 2.368,450 0.353,451 -0.579,452 -0.67,454 -1.386,455 -0.525,456 0.588,457 -0.516,458 2.229,459 0.165,460 -0.791,461 -1.052,463 -1.971,464 -0.757,465 10.733,466 0.467,467 0.716,468 0.031,469 33.75,470 1.467,471 19,472 0.826,473 14.75,474 0.641,475 15.222,476 0.662,477 23.467,478 0.652,479 24.138,480 1.049,481 6.738,482 0.293,483 4.304,484 0.187,485 0.14,487 0.466,493 0.989,494 0.889,495 0.733,496 0.79,497 1.049,498 0.718,499 0.724,500 1.119,501 0.607,502 0.991,503 0.582,504 0.819,505 1.081,506 1.026,507 0.957,508 0.978,509 1.017,510 0.934,511 0.704,512 1.116,513 0.978,514 1.148,515 0.641,516 1.134,517 1.312,518 1.011,519 1.207,520 1.058,521 1.251,522 1.099,523 0.845,524 0.956,525 0.898,526 0.957,527 0.651,528 0.95,529 1.27,530 0.873,531 1.092,532 0.851,533 1.301,534 0.909,535 0.866,536 1.127,537 1.003,538 1.116,539 0.952,540 1.102,541 5,542 0.037,543 2.889,544 3.056,545 1.307,546 0.855,547 0.453,548 0.357,549 0.253,550 0.104,551 5444,552 16387,553 2.115,554 36.1,556 7,559 3,560 3,564 1.66,565 1.944,566 3.084,567 0.989,568 1,569 1,571 1,573 54.953,574 1.526,575 3.665,576 4.287,577 4.85,578 5.038,579 5.038,580 2.459,581 4.437,582 4.5,583 3.205,584 810.748,585 7.759,586 8891.46,587 1,588 1,589 1,590 1,591 186.117,592 1.491,593 4.44,594 0.192,595 0.007,596 0.074,597 0.078,598 0.038,599 0.032,600 0.017,601 0.016,602 0.012,603 0.009,604 0.476,605 0.5,606 1,607 0.636,608 105.462,609 -0.162,610 0.099,611 -0.025,612 0.151,613 -0.233,614 0.11,615 -0.016,616 -0.127,617 0.137,618 -0.047,619 0.026,620 0.054,621 -0.076,622 -0.01,623 -0.095,624 -0.045,625 -0.105,626 -0.061,627 0.309,628 -0.14,629 -0.042,630 -0.192,631 0.313,632 -0.202,633 -0.181,634 -0.055,635 -0.219,636 -0.09,637 -0.216,638 -0.15,639 0.106,640 -0.001,641 0.138,642 0.034,643 0.191,644 0.077,645 -0.218,646 0.093,647 -0.078,648 0.13,649 -0.196,650 0.078,651 -0.007,652 -0.139,653 -0.051,654 -0.152,655 0.001,656 -0.125,657 1.9,658 4.336,659 0.783,660 14.885,661 1.02,662 1.106,663 1.64,664 2.689,665 0.705,666 3.296,667 3.689,668 4.025,669 4.369,670 4.554,671 4.654,672 4.771,673 4.934,674 4.942,675 4.984,676 5.166,677 0.696,678 307.32,679 3.296,680 4.875,681 5.765,682 6.686,683 7.591,684 8.515,685 9.426,686 10.351,687 11.264,688 12.189,689 2.8,698 1,703 2,704 6,707 1,709 6,711 16,728 3,731 36,733 18,734 2,735 26,737 39,738 18,739 14,740 6,741 6,742 3,746 4,747 6,752 1,761 17,762 1,766 2,773 1,774 1,775 2,777 1,778 1,780 1,781 13,782 5,783 3,784 5,790 1,794 0.5,795 4,811 2,812 2,815 2,823 1,831 1,832 1,840 2,844 1,848 23,853 3,870 11.1,872 3,875 1,877 11.833,878 6.8,879 4.861,880 2.021,881 4.261,882 1.571,883 0.964,884 3.044,885 11.723,886 3.611,887 4.327,888 5.018,889 5.701,890 6.254,891 6.666,892 7.135,893 7.639,894 7.962,895 8.362,896 0.833,897 39,898 8.501,900 3.831,901 7.986,902 15.739,904 13.301,905 2.486,906 57.167,910 117.711,911 99.902,912 16.786,914 137.557,917 99.902,918 255.268,919 16.786,920 8.825,922 66.334,923 130.807,924 37.994,925 10.285,926 117.711,928 117.711,929 116.687,930 137.557,933 117.711,934 137.557,937 25.611,938 81.6,939 9.476,941 117.711,942 154.343,943 99.902,946 117.711,947 24.743,948 75.159,950 154.343,951 117.711,952 154.343,953 99.902,955 0.6,956 0.364,957 0.211,958 0.11,959 22,960 10,961 0.026,962 1,963 2,964 1.222,965 3.447,966 198.481,967 0.222,968 18,969 104.042,974 14.061,975 4.979,976 2.151,977 0.392,978 154.343,979 10.208,982 5.584,984 1.503,986 128.05,987 371.956,988 36,995 1.691,996 4.481,997 1.664,999 36.713,1000 39.827,1001 0.295,1002 0.709,1003 0.829,1004 0.938,1005 0.974,1006 0.974,1007 4.875,1008 1.354,1009 5.79,1010 4.933,1011 4.369,1012 5.014,1013 1.08,1014 6.678,1015 4.323,1016 6.144,1017 1.242,1018 7.398,1019 3.426,1020 4.111,1021 4.987,1023 7.695,1024 4.029,1025 7.496,1026 0.771,1027 9.104,1028 2.935,1029 6.038,1030 7.351,1031 1.061,1032 10.852,1033 5.958,1034 8.886,1035 0.007,1036 10.867,1037 2.034,1038 6.581,1039 8.144,1041 12.707,1042 6.47,1043 10.307,1044 -0.182,1045 12.666,1046 0.018,1047 8.025,1048 10.001,1049 1.043,1050 15.385,1051 7.913,1052 11.752,1053 -0.372,1054 14.49,1055 -0.468,1056 8.931,1057 11.187,1059 17.585,1060 8.794,1061 13.216,1062 -0.579,1063 16.334,1064 -0.968,1065 10.197,1066 12.841,1067 1.024,1068 20.097,1069 10.053,1070 3.28,1071 -0.791,1072 18.193,1073 -1.386,1074 11.26,1075 14.213,1077 22.432,1078 11.095,1079 3.151,1080 11.441,1081 20.064,1082 -1.971,1083 12.462,1084 15.786,1085 1.006,1086 24.885,1087 12.286,1088 2.483,1089 10.906,1090 21.945,1091 4.685,1092 13.589,1093 17.243,1095 27.273,1096 13.394,1097 2.167,1098 7.683,1099 23.833,1100 4.17,1101 14.77,1102 18.786,1103 0.988,1104 29.705,1105 14.562,1106 2.028,1107 6.587,1108 25.728,1109 3.369,1110 15.924,1111 20.282,1113 32.114,1114 15.698,1115 1.835,1116 6.029,1117 27.627,1118 2.968,1119 17.098,1120 21.815,1121 0.971,1122 34.539,1123 16.857,1124 1.672,1125 5.521,1126 29.53,1127 2.806,1128 18.264,1129 23.33,1131 36.955,1132 18.005,1133 5163,1134 9081,1135 17.224,1136 25.392,1137 40.873,1138 40.259,1139 42.126,1140 40.09,1141 39.978,1142 55.048,1143 1.972,1144 123.023,1145 38.921,1146 5.423,1147 5.406,1148 6.564,1149 5.28,1150 5.28,1151 7.685,1152 1.972,1153 18.632,1154 5.225,1155 11.594,1156 1.572,1157 1.548,1158 1.62,1159 1.542,1160 1.538,1161 2.117,1162 0.076,1163 4.732,1164 1.497,1165 4.129,1166 4.129,1167 4.109,1168 4.032,1169 6.505,1170 4.048,1171 3.98,1172 4,1173 3.944,1174 3.908,1175 6.463,1176 3.915,1177 3.534,1178 3.568,1179 3.463,1180 3.442,1181 6.44,1182 3.44,1183 3.386,1184 3.415,1185 3.303,1186 3.22,1187 5.022,1188 3.236,1189 3.037,1190 3.075,1191 2.954,1192 2.872,1193 4.882,1194 2.868,1195 2.988,1196 3.016,1197 2.86,1198 2.787,1199 4.381,1200 2.811,1201 2.852,1202 2.928,1203 2.667,1204 2.709,1205 4.086,1206 2.69,1207 2.671,1208 2.718,1209 2.552,1210 2.531,1211 3.812,1212 2.524,1213 0.181,1214 0.131,1215 0.265,1216 0.164,1217 0.126,1218 4.714,1219 0.18,1220 3.406,1221 0.038,1222 6.883,1223 0.44,1224 4.264,1225 0.124,1226 3.28,1227 4.685,1228 0.986,1229 11.441,1230 3.225,1231 1.897,1232 1.89,1233 1.986,1234 1.994,1235 1.114,1236 1.977,1237 1.881,1238 1.862,1239 1.948,1240 1.952,1241 1.081,1242 1.964,1243 1.651,1244 1.626,1245 1.789,1246 1.796,1247 0.874,1248 1.791,1249 1.35,1250 1.32,1251 1.539,1252 1.572,1253 0.603,1254 1.556,1255 1.014,1256 0.982,1257 1.202,1258 1.236,1259 0.275,1260 1.215,1261 0.92,1262 0.905,1263 1.111,1264 1.168,1265 0.171,1266 1.139,1267 0.864,1268 0.799,1269 1.087,1270 1.077,1271 0.124,1272 1.082,1273 0.747,1274 0.717,1275 0.957,1276 1.033,1277 0.024,1278 1.001,1279 3.97,1281 5.342,1282 3.045,1283 6.903,1284 5.533,1285 8.552,1286 7.719,1287 10.248,1289 1.884,1294 29.76,1305 25.041,1306 54.953,1307 131.936,1308 154.343,1309 174.608,1310 181.362,1311 181.362,1312 41.095,1313 7.462,1314 86.72,1315 86.72,1316 22,1317 12.696,1318 4.248,1319 3.459,1320 31.783,1321 72,1322 63,1323 0.223,1324 150.292,1325 260.22,1326 358.472,1327 16757,1329 16.137,1330 0.702,1331 0.532,1332 16.137,1333 12.239,1334 11.042,1335 0.425,1336 0.273,1337 6.997,1338 10.657,1339 6.83,1340 5.631,1341 11.042,1342 7.086,1343 10.567,1344 0.271,1345 0.139,1346 10.567,1347 5.425,1348 9.135,1349 0.166,1350 0.071,1351 9.135,1352 3.904,1353 8.38,1354 0.107,1355 0.036,1356 8.38,1357 2.841,1358 6.35,1359 0.068,1360 0.02,1361 6.35,1362 1.839,1363 0.34,1364 69.207,1365 0.241,1366 22.05,1367 0.645,1368 130,1369 399.83,1370 142.572,1371 387.12,1372 534.36,1373 360,1374 159,1375 406.181,1376 171.906,1377 409.672,1378 606.65,1379 387,1380 5.495}
{0 CHEMBL1091962,1 1.55,2 15.8,3 2.257,4 5.096,5 153.116,6 7.223,7 0.489,8 4.428,9 4.564,10 3.982,11 3.895,12 5.457,13 3.89,14 5.002,15 5.204,16 4.329,17 4.298,18 5.996,19 4.271,20 5.241,21 5.47,22 4.355,23 4.467,24 6.156,25 4.392,26 5.314,27 5.574,28 4.313,29 4.472,30 6.206,31 4.366,32 5.296,33 5.564,34 4.332,35 4.426,36 6.217,37 4.348,38 5.185,39 5.4,40 4.36,41 4.459,42 6.162,43 4.392,44 5.257,45 5.482,46 4.316,47 4.522,48 6.149,49 4.418,50 5.308,51 5.565,52 4.241,53 4.485,54 6.172,55 4.35,56 0.024,57 1.21,58 16.395,59 5.967,60 9.931,61 8.731,62 0.539,63 1.918,64 32.535,65 9.546,66 38.821,67 14.481,68 0.546,69 2.275,70 42.364,71 13.029,72 45.011,73 19.849,74 0.441,75 2.324,76 46.52,77 15.047,78 54.628,79 23.149,80 0.609,81 2.223,82 46.995,83 13.557,84 66.953,85 21.257,86 0.552,87 2.195,88 39.436,89 12.736,90 53.484,91 18.819,92 0.473,93 2.302,94 42.25,95 14.91,96 43.739,97 22.021,98 0.492,99 2.263,100 46.018,101 16.621,102 60.133,103 24.664,104 5,105 62,106 0.238,107 0.551,108 0.693,109 0.783,110 0.818,111 0.822,112 3.717,113 0.921,114 -3.71,115 -3.68,116 -3.5,119 38.7,124 1,125 10,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 9,178 2,179 1,180 4,183 5,186 3,187 7,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 2,212 9,217 2,220 3,223 2,224 6,227 3,229 1,232 8,236 4,237 2,245 6,249 3,250 8,253 4,255 1,258 2,263 6,268 1,275 3772,276 27.67,277 27.67,278 27.67,279 27.67,280 27.67,281 25.006,282 35.402,283 16.589,284 28.551,285 22.29,286 22.29,287 22.29,288 22.29,289 22.29,290 18.202,291 49.442,292 7.996,293 23.67,294 4.679,295 2.636,296 1.707,297 1.12,298 0.89,299 0.863,300 4.436,306 1401,307 3.536,310 100.908,311 656.311,314 179.261,318 2.4,319 30.297,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 86.5,331 632,332 4.674,333 3.562,334 6.841,335 4.203,336 3.256,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.35,343 6.112,344 3.778,345 2.803,346 3.792,347 0.86,348 8.95,349 2.734,350 3.977,351 2.97,352 6.099,353 3.617,354 2.696,355 3.479,356 0.8,357 8.836,358 2.543,359 3.905,360 2.888,361 5.568,362 3.601,363 2.643,364 3.307,365 0.8,366 7.635,367 2.465,368 3.757,369 2.794,370 5.417,371 3.513,372 2.594,373 3.139,374 0.8,375 7.16,376 2.38,377 3.612,378 2.549,379 5.323,380 3.365,381 2.401,382 2.655,383 0.247,384 6.925,385 2.313,386 3.405,387 2.487,388 5.127,389 3.039,390 2.122,391 2.616,393 5.91,394 1.949,395 3.207,396 2.405,397 4.883,398 2.947,399 1.979,400 2.291,402 5.625,403 1.916,404 3.07,405 2.312,406 4.678,407 2.868,408 1.928,409 2.176,411 5.114,412 1.788,413 2.968,414 1.903,415 4.417,416 2.453,417 1.514,418 2.084,420 4.26,421 1.425,422 2.843,423 1.535,424 4.362,425 2.395,426 1.485,427 1.975,428 3.94,429 1.339,430 2.735,431 1.519,432 3.762,433 2.315,434 1.374,435 1.805,436 2.995,437 1.286,438 2.5,439 1.333,440 3.569,441 2.079,442 1.166,443 1.5,445 2.901,446 1.059,447 2.5,448 1.256,449 3.436,450 2,451 1,452 1.5,454 2.275,455 1,456 2.472,457 1.146,458 3.414,459 1.984,460 1,461 1.465,463 2.275,464 0.983,465 18.767,466 0.469,467 0.811,468 0.02,469 51.75,470 1.294,471 23,472 0.575,473 28.75,474 0.719,475 36.596,476 0.915,477 43.633,478 0.582,479 42.971,480 1.074,481 10.336,482 0.258,483 9.283,484 0.232,485 0.044,487 0.298,493 0.896,494 1.683,495 0.799,496 1.256,497 0.617,498 1.044,499 1.198,500 1.05,501 0.978,502 0.872,503 0.649,504 0.881,505 1.124,506 1.101,507 1.069,508 1.012,509 0.912,510 1.025,511 0.718,512 1.096,513 0.913,514 1.079,515 0.733,516 1.028,517 1.062,518 0.895,519 0.845,520 0.774,521 1.219,522 0.769,523 1.107,524 0.973,525 1.077,526 0.99,527 1.157,528 1.018,529 0.781,530 1.068,531 1.097,532 1.17,533 0.626,534 1.175,535 0.503,536 1.05,537 0.937,538 1.183,539 0.475,540 1.141,541 7,542 0.211,543 3.778,544 1.819,545 1.831,546 1.58,547 0.855,548 0.375,549 0.49,550 0.364,551 29242,552 69463,553 2.182,554 46.7,556 30,557 1,558 2,559 2,564 1.802,565 2.105,566 3.888,567 0.174,573 116.226,574 1.55,575 3.593,576 4.522,577 5.109,578 5.339,579 5.365,580 3.396,581 4.872,582 5.284,583 4.092,584 3191.43,585 9.344,586 56492.1,591 467.161,592 1.141,593 5.28,594 0.156,595 0.004,596 0.061,597 0.029,598 0.032,599 0.026,600 0.014,601 0.006,602 0.009,603 0.007,604 0.344,605 0.33,606 0.63,607 0.349,608 227.418,609 -0.034,610 -0.411,611 0.085,612 -0.164,613 0.007,614 -0.043,615 -0.032,616 0.114,617 -0.008,618 0.098,619 0.091,620 0.056,621 -0.116,622 -0.029,623 -0.1,624 -0.022,625 -0.043,626 -0.054,627 0.062,628 -0.103,629 0.053,630 -0.079,631 0.103,632 -0.024,633 -0.041,634 0.077,635 0.16,636 0.185,637 0.023,638 0.205,639 -0.088,640 0.131,641 -0.119,642 0.015,643 -0.066,644 -0.045,645 -0.002,646 -0.003,647 -0.163,648 -0.127,649 -0.062,650 -0.161,651 0.194,652 -0.084,653 0.012,654 -0.139,655 0.138,656 -0.103,657 1.982,658 5.411,659 0.825,660 60.33,661 1.001,662 1.137,663 2.479,664 6.145,665 0.651,666 3.829,667 4.143,668 4.419,669 4.7,670 4.97,671 5.075,672 5.283,673 5.481,674 5.631,675 5.799,676 9.005,677 0.62,678 541.73,679 3.829,680 5.371,681 6.221,682 7.094,683 7.962,684 8.845,685 9.724,686 10.614,687 11.501,688 12.396,689 12,692 2,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 75,733 23,734 1,735 45,737 80,738 29,739 17,740 2,741 4,746 6,747 7,751 1,761 18,762 11,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 9,794 0.833,795 2,805 1,806 1,807 1,811 1,812 5,815 1,836 2,839 1,840 5,844 1,848 40,854 10,855 2,856 1,859 3,870 2.7,873 1,874 1,877 19,878 13.567,879 8.722,880 4.535,881 3.98,882 1.45,883 1.01,884 8.324,885 12.819,886 4.06,887 4.627,888 5.201,889 5.811,890 6.37,891 6.732,892 7.235,893 7.704,894 8.044,895 8.466,896 0.909,897 62,898 14.809,900 6.273,901 7.571,902 28.878,904 23.912,905 2.071,906 82.833,910 388.446,911 149.822,912 97.65,914 36.145,917 149.822,918 424.591,919 97.65,920 8.396,921 62.052,922 75.381,923 111.759,924 42.967,925 18.375,926 353.133,928 388.446,929 247.472,930 36.145,933 390.774,934 25.145,935 11,937 90.01,938 104.778,939 50.357,941 388.446,942 133.795,943 149.822,946 388.446,947 47.949,948 113.144,949 36.022,950 86.501,951 388.446,952 133.795,953 149.822,955 0.577,956 0.33,957 0.181,958 0.103,959 30,960 12,961 0.088,962 7,963 1,964 1.061,965 5.12,966 404.461,967 0.061,968 33,969 196.877,974 26.814,975 12.418,976 6.515,977 2.009,978 131.896,979 18.663,980 14.05,984 3.864,985 2.252,986 36.022,987 672.063,988 57,993 12.411,997 -0.315,999 75.058,1000 85.301,1001 0.249,1002 0.577,1003 0.726,1004 0.82,1005 0.857,1006 0.861,1007 5.301,1008 1.979,1009 6.184,1010 5.91,1011 4.828,1012 5.316,1013 2.318,1014 6.969,1015 4.715,1016 6.474,1017 1.928,1018 7.718,1019 5.625,1020 4.29,1021 5.027,1022 1.494,1023 7.796,1024 4.122,1025 7.762,1026 1.514,1027 9.351,1028 5.114,1029 6.392,1030 7.471,1031 2.615,1032 10.913,1033 6.17,1034 9.084,1035 1.485,1036 11.046,1037 4.26,1038 6.698,1039 8.082,1040 2.41,1041 12.626,1042 6.427,1043 10.444,1044 1.374,1045 12.782,1046 3.94,1047 8.231,1048 9.983,1049 3.305,1050 15.255,1051 7.907,1052 11.83,1053 1.166,1054 14.548,1055 2.995,1056 8.947,1057 11.045,1058 3.427,1059 17.357,1060 8.575,1061 13.238,1062 1,1063 16.337,1064 2.901,1065 10.239,1066 12.719,1067 4.173,1068 19.831,1069 9.817,1070 3.256,1071 1,1072 18.145,1073 2.275,1074 11.168,1075 14.014,1076 4.469,1077 22.11,1078 10.695,1079 2.803,1080 11.398,1081 19.968,1082 2.275,1083 12.36,1084 15.591,1085 5.116,1086 24.54,1087 11.837,1088 2.696,1089 8.95,1090 21.804,1091 4.627,1092 13.398,1093 17.005,1094 5.505,1095 26.899,1096 12.825,1097 2.643,1098 8.836,1099 23.65,1100 3.792,1101 14.555,1102 18.545,1103 6.092,1104 29.319,1105 13.931,1106 2.594,1107 7.635,1108 25.506,1109 3.479,1110 15.651,1111 20.017,1112 6.531,1113 31.715,1114 14.975,1115 2.401,1116 7.16,1117 27.371,1118 3.307,1119 16.8,1120 21.545,1121 7.084,1122 34.137,1123 16.073,1124 2.122,1125 6.925,1126 29.242,1127 3.139,1128 17.928,1129 23.046,1130 7.551,1131 36.551,1132 17.147,1133 26862,1134 41676,1135 31.205,1136 48.858,1137 67.303,1138 68.074,1139 67.852,1140 67.003,1141 66.961,1142 84.416,1143 10.326,1144 188.5,1145 63.216,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.256,1151 7.627,1152 2.912,1153 18.809,1154 5.085,1155 12.835,1156 1.496,1157 1.513,1158 1.508,1159 1.489,1160 1.488,1161 1.876,1162 0.229,1163 4.189,1164 1.405,1165 4.145,1166 4.191,1167 4.117,1168 4.007,1169 7.431,1170 4.029,1171 3.914,1172 3.955,1173 3.861,1174 3.817,1175 5.084,1176 3.821,1177 3.859,1178 3.924,1179 3.792,1180 3.742,1181 4.908,1182 3.75,1183 3.829,1184 3.881,1185 3.718,1186 3.632,1187 4.716,1188 3.643,1189 3.741,1190 3.801,1191 3.625,1192 3.516,1193 4.615,1194 3.533,1195 3.465,1196 3.533,1197 3.4,1198 3.244,1199 4.428,1200 3.262,1201 3.389,1202 3.451,1203 3.279,1204 3.142,1205 4.349,1206 3.172,1207 3.217,1208 3.293,1209 3.119,1210 2.97,1211 4.078,1212 3.007,1213 0.104,1214 0.079,1215 0.152,1216 0.093,1217 0.072,1218 4.674,1219 0.103,1220 3.562,1221 0.037,1222 6.841,1223 0.253,1224 4.203,1225 0.069,1226 3.256,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.922,1233 2.033,1234 2.094,1235 1.328,1236 2.074,1237 1.828,1238 1.786,1239 2.009,1240 2.029,1241 1.222,1242 2.029,1243 1.807,1244 1.757,1245 1.941,1246 1.991,1247 1.113,1248 1.978,1249 1.782,1250 1.72,1251 1.926,1252 1.941,1253 1.07,1254 1.941,1255 1.624,1256 1.561,1257 1.811,1258 1.862,1259 0.948,1260 1.85,1261 1.555,1262 1.5,1263 1.722,1264 1.739,1265 0.872,1266 1.737,1267 1.281,1268 1.223,1269 1.551,1270 1.559,1271 0.825,1272 1.539,1273 1.224,1274 1.15,1275 1.513,1276 1.517,1277 0.825,1278 1.503,1279 4.511,1281 5.826,1282 2.398,1283 7.334,1284 4.727,1285 8.927,1286 6.843,1287 10.567,1289 2.183,1295 9.242,1296 5.675,1297 5.607,1300 7.193,1305 46.471,1306 116.226,1307 269.494,1308 339.145,1309 383.187,1310 400.407,1311 402.407,1312 57.133,1313 8.839,1314 103.68,1315 103.68,1316 35,1317 12.924,1318 4.585,1319 3.7,1320 57.218,1321 208,1322 248,1323 0.127,1324 281.528,1325 480.04,1326 678.688,1327 99754,1329 27.313,1330 0.683,1331 0.57,1332 27.313,1333 22.792,1334 19.619,1335 0.436,1336 0.307,1337 13.555,1338 18.668,1339 13.303,1340 10.931,1341 19.619,1342 13.812,1343 17.523,1344 0.283,1345 0.165,1346 17.523,1347 10.254,1348 14.817,1349 0.181,1350 0.091,1351 14.817,1352 7.501,1353 12.521,1354 0.115,1355 0.047,1356 12.521,1357 5.127,1358 10.531,1359 0.074,1360 0.026,1361 10.531,1362 3.668,1363 0.203,1364 123.885,1365 0.179,1366 36.313,1367 0.341,1368 214,1369 591.653,1370 237.687,1371 568.622,1372 789.75,1373 538,1374 251,1375 588.385,1376 276.162,1377 593.865,1378 872.74,1379 559,1380 7.377}
{0 CHEMBL1091977,1 1.809,2 10.727,3 3.168,4 10.038,5 128.868,6 8.775,7 0.595,8 4.139,9 4.235,10 3.995,11 3.752,12 5.238,13 3.705,14 4.687,15 4.835,16 4.33,17 4.149,18 5.952,19 4.096,20 4.874,21 5.033,22 4.42,23 4.278,24 6.041,25 4.208,26 4.92,27 5.102,28 4.363,29 4.328,30 6.029,31 4.217,32 4.91,33 5.087,34 4.424,35 4.358,36 5.957,37 4.242,38 4.952,39 5.119,40 4.481,41 4.375,42 6.039,43 4.276,44 4.984,45 5.153,46 4.349,47 4.33,48 6.076,49 4.239,50 5.07,51 5.306,52 4.181,53 4.235,54 6.127,55 4.124,56 0.124,57 0.899,58 11.436,59 5.459,60 20.266,61 5.708,62 0.516,63 1.461,64 24.163,65 9.546,66 63.268,67 10.202,68 0.555,69 1.726,70 29.333,71 10.843,72 57.926,73 11.907,74 0.546,75 1.835,76 33.968,77 12.73,78 59.663,79 13.968,80 0.384,81 1.787,82 36.682,83 13.91,84 40.274,85 15.357,86 0.515,87 1.907,88 34.67,89 13.097,90 40.962,91 14.2,92 0.425,93 1.919,94 35.051,95 12.81,96 39.285,97 14.706,98 0.724,99 1.883,100 36.86,101 12.919,102 89.149,103 16.594,104 27,105 55,106 0.293,107 0.652,108 0.797,109 0.821,110 0.821,111 0.821,112 3.533,113 1.057,114 -4.07,115 -4.01,116 -3.8,119 40,120 1,124 1,125 4,142 4,143 3,144 1,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,172 5,174 4,175 5,177 2,178 2,183 7,186 1,187 8,195 8,198 5,199 8,204 1,207 5,209 1,211 1,212 8,220 5,223 2,224 12,226 2,227 2,232 2,236 1,237 11,245 2,249 2,250 6,252 1,253 1,255 1,258 1,260 1,262 6,263 6,268 2,271 1,273 2,275 1785,276 21.988,277 21.988,278 21.988,279 21.988,280 21.988,281 19.163,282 19.195,283 12.658,284 22.9,285 18.283,286 18.283,287 18.283,288 18.283,289 18.283,290 13.885,291 21.316,292 6.05,293 19.838,294 3.972,295 1.76,296 0.864,297 0.718,298 0.718,299 0.718,300 4.237,305 1,306 772,307 3.391,310 68.902,311 381.204,314 128.687,318 1.691,319 39.967,322 1,323 0.67,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.83,330 72,331 354,332 4.815,333 5.18,334 7.12,335 4.279,336 3.357,337 4.725,338 2.95,339 11.817,340 3.121,341 4.737,342 3.41,343 6.949,344 4.174,345 3.292,346 4.652,347 0.86,348 11.642,349 2.873,350 4.236,351 3.05,352 6.406,353 3.837,354 2.888,355 3.849,356 0.8,357 9.814,358 2.719,359 4.054,360 2.831,361 6.104,362 3.685,363 2.739,364 3.611,366 8.912,367 2.58,368 3.772,369 2.694,370 5.825,371 3.389,372 2.434,373 3.201,375 7.89,376 2.317,377 3.651,378 2.458,379 5.097,380 3.18,381 2.266,382 3.059,384 6.097,385 2.064,386 3.272,387 2.322,388 5.045,389 2.884,390 1.947,391 2.55,393 5.653,394 1.815,395 3.102,396 2.241,397 4.752,398 2.66,399 1.724,400 2.224,402 5.018,403 1.601,404 2.91,405 1.853,406 4.403,407 2.367,408 1.452,409 2.084,411 4.183,412 1.325,413 2.698,414 1.549,415 4.348,416 2.29,417 1.384,418 1.767,420 3.66,421 1.241,422 2.587,423 1.39,424 3.977,425 2.121,426 1.169,427 1.618,428 3.106,429 1.108,430 2.5,431 1.256,432 3.504,433 2.017,434 1.069,435 1.5,436 2.51,437 0.995,438 2.471,439 1.184,440 3.468,441 1.952,442 1,443 1.464,445 2.275,446 0.946,447 2.091,448 1,449 3.414,450 1.917,451 1,452 1.006,454 2.193,455 0.916,456 2,457 0.933,458 3.247,459 1.669,460 0.799,461 1,463 2.136,464 0.682,465 16.067,466 0.487,467 1.035,468 0.031,469 46.5,470 1.409,471 24,472 0.727,473 22.5,474 0.682,475 29.836,476 0.904,477 34.933,478 0.635,479 36.642,480 1.11,481 8.642,482 0.262,483 7.167,484 0.217,485 0.129,486 0.052,487 0.336,493 0.695,494 1.3,495 0.767,496 1.072,497 0.743,498 0.884,499 0.938,500 0.841,501 0.906,502 0.838,503 0.58,504 0.744,505 1.188,506 1.13,507 0.965,508 0.94,509 1.089,510 0.917,511 0.88,512 0.908,513 1.182,514 1.049,515 0.914,516 1.02,517 0.657,518 1.105,519 0.995,520 1.08,521 0.627,522 0.997,523 0.787,524 1.055,525 1.122,526 1.177,527 0.685,528 1.081,529 0.835,530 1.381,531 1.213,532 1.387,533 0.694,534 1.296,535 0.917,536 0.951,537 0.764,538 0.844,539 0.947,540 1.033,541 7.5,542 0.272,543 4.444,544 2.451,545 1.988,546 1.917,547 1.126,548 0.649,549 0.451,550 0.384,551 14182,552 44168,553 2.105,554 40,555 3,556 15,558 2,559 2,564 1.76,565 1.951,566 3.389,567 0.282,573 99.495,574 1.809,575 4.021,576 4.918,577 5.063,578 5.063,579 5.063,580 2.881,581 4.597,582 5.012,583 3.566,584 1882.74,585 8.825,586 26952.1,591 317.975,592 1.6,593 4.962,594 0.203,595 0.009,596 0.081,597 0.043,598 0.037,599 0.034,600 0.019,601 0.012,602 0.01,603 0.01,604 0.458,605 0.33,606 0.63,607 0.718,608 171.551,609 0.007,610 -0.153,611 0.152,612 -0.026,613 -0.162,614 0.028,615 0.068,616 0.24,617 0.056,618 0.169,619 0.242,620 0.179,621 -0.172,622 -0.083,623 -0.019,624 0.046,625 -0.097,626 0.014,627 -0.081,628 0.163,629 -0.14,630 0.003,631 -0.089,632 -0.049,633 0.02,634 -0.088,635 0.043,636 0.006,637 0.018,638 0.025,639 -0.013,640 0.028,641 -0.079,642 -0.112,643 -0.027,644 -0.113,645 -0.054,646 -0.336,647 -0.251,648 -0.382,649 -0.029,650 -0.335,651 -0.011,652 -0.038,653 0.029,654 -0.015,655 -0.048,656 -0.05,657 4.234,658 5.101,659 0.818,660 33.427,661 1.015,662 1.123,663 2.835,664 8.039,665 0.705,666 3.638,667 4.025,668 4.317,669 4.615,670 4.934,671 5.112,672 5.352,673 5.549,674 5.73,675 5.855,676 6.565,677 0.67,678 482.64,679 3.638,680 5.22,681 6.094,682 7.004,683 7.901,684 8.818,685 9.727,686 10.648,687 11.565,688 12.49,689 10.9,693 1,695 1,699 4,703 2,704 6,705 4,708 1,709 8,711 22,722 1,726 1,731 55,733 24,734 1,735 37,737 59,738 22,739 16,740 2,741 4,746 5,747 6,752 1,761 16,762 6,766 2,769 1,771 2,781 22,782 9,783 2,784 11,785 2,790 6,794 0.8,795 3,806 2,811 1,812 4,815 1,839 1,840 4,842 2,844 2,848 33,849 1,851 1,854 4,856 1,859 1,865 1,870 5.5,873 2,874 1,877 16.917,878 10.667,879 6.944,880 3.128,881 3.993,882 1.482,883 1.029,884 5.772,885 12.278,886 3.932,887 4.627,888 5.236,889 5.882,890 6.52,891 6.986,892 7.545,893 8.06,894 8.534,895 8.978,896 1,897 57,898 12.372,900 5.569,901 7.831,902 23.259,904 19.711,905 2.331,906 76.917,910 235.422,911 144.646,912 103.164,914 55.313,916 37.324,917 107.322,918 290.735,919 103.164,920 16.016,921 13.396,922 76.848,923 145.997,924 36.799,925 6.331,926 243.158,928 235.422,929 210.486,930 55.313,931 37.324,933 237.75,934 44.313,935 11,937 44.359,938 96.656,939 73.188,940 31.278,941 235.422,942 158.476,943 144.646,945 6.046,946 235.422,947 66.585,948 75.14,950 155.352,951 235.422,952 158.476,953 144.646,955 0.599,956 0.344,957 0.181,958 0.107,959 29,960 13,961 0.068,962 4,963 1,964 1.074,965 4.21,966 331.428,967 0.074,968 27,969 156.465,970 1,973 1,974 22.146,975 8.601,976 4.308,977 1.775,978 158.476,979 10.239,980 17.901,983 1.569,984 5.259,986 32.897,987 538.544,988 50,991 -3.317,993 24.203,999 55.814,1000 61.78,1001 0.313,1002 0.696,1003 0.851,1004 0.876,1005 0.876,1006 0.876,1007 5.201,1008 1.724,1009 6.129,1010 5.653,1011 4.71,1012 5.316,1013 3.037,1014 7.015,1015 4.553,1016 6.463,1017 1.452,1018 7.741,1019 5.018,1020 4.511,1021 5.427,1022 0.325,1023 8.177,1024 4.245,1025 7.828,1026 1.384,1027 9.461,1028 4.183,1029 6.415,1030 7.686,1031 5.037,1032 11.248,1033 6.095,1034 9.234,1035 1.169,1036 11.246,1037 3.66,1038 7.013,1039 8.608,1040 0.268,1041 13.201,1042 6.569,1043 10.675,1044 1.069,1045 13.071,1046 3.106,1047 8.447,1048 10.402,1049 7.186,1050 15.847,1051 7.947,1052 12.141,1053 1,1054 14.924,1055 2.51,1056 9.381,1057 11.669,1058 0.188,1059 18.098,1060 8.758,1061 13.625,1062 1,1063 16.796,1064 2.275,1065 10.647,1066 13.299,1067 9.348,1068 20.61,1069 9.957,1070 3.357,1071 0.799,1072 18.682,1073 2.193,1074 11.726,1075 14.717,1076 0.125,1077 22.979,1078 10.922,1079 3.292,1080 11.817,1081 20.58,1082 2.136,1083 12.935,1084 16.286,1085 11.511,1086 25.449,1087 12.053,1088 2.888,1089 11.642,1090 22.486,1091 4.725,1092 14.077,1093 17.772,1094 0.082,1095 27.867,1096 13.091,1097 2.739,1098 9.814,1099 24.399,1100 4.652,1101 15.269,1102 19.321,1103 13.675,1104 30.326,1105 14.199,1106 2.434,1107 8.912,1108 26.318,1109 3.849,1110 16.439,1111 20.837,1112 0.054,1113 32.765,1114 15.272,1115 2.266,1116 7.89,1117 28.241,1118 3.611,1119 17.629,1120 22.38,1121 15.838,1122 35.222,1123 16.376,1124 1.947,1125 6.097,1126 30.169,1127 3.201,1128 18.812,1129 23.911,1130 0.035,1131 37.672,1132 17.467,1133 13406,1134 23829,1135 24.561,1136 38.784,1137 57.253,1138 59.449,1139 58.129,1140 57.115,1141 57.042,1142 76.62,1143 9.22,1144 173.811,1145 52.604,1146 5.815,1147 7.18,1148 6.922,1149 5.423,1150 5.357,1151 7.725,1152 5.9,1153 19.472,1154 5.121,1155 17.097,1156 1.547,1157 1.607,1158 1.571,1159 1.544,1160 1.542,1161 2.071,1162 0.249,1163 4.698,1164 1.422,1165 4.148,1166 4.155,1167 4.736,1168 4.154,1169 7.716,1170 4.092,1171 4.018,1172 4.003,1173 4.349,1174 4.013,1175 6.999,1176 3.924,1177 3.815,1178 3.859,1179 3.832,1180 3.689,1181 5.245,1182 3.692,1183 3.743,1184 3.786,1185 3.683,1186 3.57,1187 5.013,1188 3.558,1189 3.608,1190 3.615,1191 3.607,1192 3.498,1193 4.695,1194 3.471,1195 3.306,1196 3.374,1197 3.319,1198 3.114,1199 4.616,1200 3.132,1201 3.111,1202 3.206,1203 3.08,1204 2.941,1205 4.557,1206 2.91,1207 3.065,1208 3.146,1209 2.866,1210 2.922,1211 4.238,1212 2.882,1213 0.13,1214 0.14,1215 0.192,1216 0.116,1217 0.091,1218 4.815,1219 0.128,1220 5.18,1221 0.08,1222 7.12,1223 0.319,1224 4.279,1225 0.084,1226 3.357,1227 4.725,1228 2.95,1229 11.817,1230 3.121,1231 1.988,1232 2.001,1233 2.004,1234 2.061,1235 1.24,1236 2.077,1237 1.893,1238 1.859,1239 1.956,1240 2.024,1241 1.218,1242 2.033,1243 1.709,1244 1.66,1245 1.863,1246 1.932,1247 1.005,1248 1.915,1249 1.64,1250 1.644,1251 1.758,1252 1.794,1253 0.897,1254 1.8,1255 1.557,1256 1.533,1257 1.585,1258 1.683,1259 0.825,1260 1.73,1261 1.383,1262 1.359,1263 1.513,1264 1.531,1265 0.79,1266 1.563,1267 1.153,1268 1.064,1269 1.505,1270 1.376,1271 0.68,1272 1.429,1273 1.027,1274 0.963,1275 1.23,1276 1.288,1277 0.322,1278 1.293,1279 4.317,1281 5.687,1282 2.398,1283 7.249,1284 4.844,1285 8.894,1286 7.05,1287 10.583,1289 3.216,1293 5.65,1295 2.693,1297 5.532,1300 2.196,1305 36.861,1306 99.495,1307 221.162,1308 270.465,1309 278.465,1310 278.465,1311 278.465,1312 58.917,1313 8.285,1314 124.19,1315 160.81,1316 29,1317 12.997,1318 4.644,1319 3.807,1320 47.443,1321 131,1322 139,1323 0.181,1324 230.577,1325 386.75,1326 554.369,1327 42900,1329 23.165,1330 0.702,1331 0.599,1332 23.768,1333 19.78,1334 15.809,1335 0.427,1336 0.352,1337 10.404,1338 13.967,1339 9.874,1340 8.123,1341 17.111,1342 13.041,1343 15.389,1344 0.28,1345 0.198,1346 17.366,1347 10.87,1348 12.672,1349 0.171,1350 0.107,1351 14.343,1352 7.949,1353 10.534,1354 0.105,1355 0.057,1356 12.084,1357 5.715,1358 9.187,1359 0.067,1360 0.031,1361 10.678,1362 4.214,1363 0.277,1364 112.466,1365 0.202,1366 30.015,1367 0.523,1368 184,1369 566.465,1370 260.729,1371 587.5,1372 804.92,1373 546,1374 221,1375 558.329,1376 305.315,1377 613.835,1378 901.85,1379 574,1380 9}
{0 CHEMBL1091978,1 1.799,2 12.206,3 1.73,4 2.992,5 133.211,6 8.14,7 0.421,8 4.254,9 4.37,10 4.045,11 3.77,12 5.265,13 3.731,14 4.853,15 5.041,16 4.377,17 4.184,18 6.017,19 4.13,20 5.06,21 5.252,22 4.441,23 4.354,24 6.073,25 4.266,26 5.154,27 5.371,28 4.362,29 4.409,30 6.139,31 4.275,32 5.153,33 5.395,34 4.359,35 4.398,36 6.075,37 4.258,38 5.033,39 5.226,40 4.376,41 4.393,42 5.97,43 4.275,44 5.104,45 5.306,46 4.357,47 4.366,48 6.072,49 4.247,50 5.209,51 5.49,52 4.289,53 4.286,54 6.075,55 4.152,56 0.138,57 1.053,58 15.509,59 5.763,60 18.475,61 7.092,62 0.727,63 1.671,64 31.927,65 9.949,66 68.095,67 12.315,68 0.73,69 1.993,70 42.979,71 12.304,72 58.962,73 15.703,74 0.718,75 2.078,76 47.279,77 15.353,78 79.05,79 19.287,80 0.807,81 2.02,82 51.085,83 15.9,84 69.76,85 20.148,86 0.553,87 2.018,88 42.879,89 14.06,90 32.373,91 17.324,92 0.492,93 2.022,94 40.446,95 13.588,96 48.616,97 17.979,98 0.797,99 1.974,100 49.246,101 13.658,102 61.79,103 19.381,104 27,105 56,106 0.288,107 0.582,108 0.745,109 0.794,110 0.794,111 0.794,112 3.561,113 1.093,114 -2.34,115 -2.38,116 -2.33,119 33.9,120 1,124 1,125 9,143 2,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,172 1,174 6,175 5,177 2,178 2,183 1,186 2,187 6,195 1,198 5,199 4,204 1,207 1,209 1,211 4,212 2,220 2,223 4,224 5,226 2,227 2,236 1,237 8,249 1,250 5,252 1,253 1,255 1,260 1,262 7,263 2,268 2,273 2,275 2048,276 22.643,277 22.643,278 22.643,279 22.643,280 22.643,281 20.425,282 28.618,283 13.05,284 23.577,285 18.772,286 18.772,287 18.772,288 18.772,289 18.772,290 15.277,291 38.211,292 6.25,293 20.343,294 4.155,295 2.315,296 1.299,297 0.992,298 0.992,299 0.992,300 4.265,306 906,307 3.536,310 76.106,311 412.594,314 141.625,318 1.924,319 40.199,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 75,331 415,332 4.744,333 4.375,334 7.111,335 4.251,336 3.317,337 4.689,338 0.916,339 11.658,340 3.086,341 4.724,342 3.423,343 6.907,344 4.236,345 3.302,346 4.51,347 0.86,348 11.607,349 3.073,350 4.188,351 3.088,352 6.255,353 3.785,354 2.836,355 3.805,356 0.8,357 9.304,358 2.697,359 3.973,360 2.857,361 6.103,362 3.665,363 2.728,364 3.401,365 0.4,366 8.904,367 2.546,368 3.665,369 2.79,370 5.55,371 3.396,372 2.474,373 3.06,374 0.172,375 7.358,376 2.276,377 3.55,378 2.441,379 5.228,380 3.196,381 2.289,382 2.685,384 6.239,385 2.073,386 3.253,387 2.318,388 5.045,389 2.954,390 2.021,391 2.37,393 6.032,394 1.872,395 3.081,396 2.255,397 4.871,398 2.688,399 1.782,400 2.22,402 5.201,403 1.601,404 2.871,405 1.975,406 4.567,407 2.455,408 1.55,409 2.007,411 4.604,412 1.394,413 2.703,414 1.751,415 4.387,416 2.346,417 1.443,418 1.694,420 4.107,421 1.3,422 2.512,423 1.432,424 4.042,425 2.19,426 1.311,427 1.512,428 3.227,429 1.132,430 2.5,431 1.256,432 3.504,433 1.967,434 1,435 1.5,436 2.308,437 0.965,438 2.109,439 1.146,440 3.414,441 1.952,442 1,443 1.039,445 2.275,446 0.946,447 2,448 1.13,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1,458 3.247,459 1.755,460 0.857,461 1,463 2.136,464 0.761,465 16.367,466 0.481,467 1.052,468 0.031,469 42.25,470 1.243,471 18,472 0.529,473 24.25,474 0.713,475 35.324,476 1.039,477 38.233,478 0.617,479 32.555,480 0.958,481 7.787,482 0.229,483 8.505,484 0.25,485 0.126,486 0.051,487 0.318,493 0.73,494 1.656,495 0.779,496 1.258,497 0.72,498 1.028,499 0.989,500 0.921,501 0.917,502 0.812,503 0.532,504 0.766,505 1.185,506 1.171,507 1.154,508 1.101,509 1.042,510 1.012,511 0.911,512 1.05,513 1.136,514 1.143,515 1.106,516 1.131,517 0.771,518 0.912,519 1.025,520 0.955,521 0.872,522 0.875,523 0.67,524 1.107,525 1.296,526 1.34,527 0.403,528 1.198,529 0.806,530 1.409,531 0.9,532 1.196,533 0.759,534 1.318,535 0.806,536 0.876,537 0.728,538 0.771,539 0.554,540 0.861,541 8,542 0.178,543 4.444,544 2.451,545 1.805,546 1.907,547 0.981,548 0.563,549 0.554,550 0.343,551 16427,552 49014,553 2.102,554 45.2,555 3,556 21,558 2,559 2,564 1.764,565 1.952,566 3.534,567 0.323,573 111.561,574 1.799,575 3.639,576 4.655,577 4.962,578 4.962,579 4.962,580 3.044,581 4.477,582 5.052,583 3.75,584 2103.62,585 8.889,586 31465.5,591 369.16,592 1.583,593 5.007,594 0.211,595 0.006,596 0.079,597 0.043,598 0.035,599 0.035,600 0.018,601 0.011,602 0.012,603 0.008,604 0.458,605 0.33,606 0.63,607 0.706,608 180.696,609 0.018,610 -0.37,611 0.178,612 -0.12,613 -0.126,614 -0.019,615 0.071,616 0.217,617 0.064,618 0.192,619 0.272,620 0.177,621 -0.182,622 -0.067,623 -0.108,624 -0.03,625 -0.096,626 -0.032,627 -0.066,628 -0.013,629 -0.125,630 -0.084,631 -0.111,632 -0.114,633 0.037,634 0.07,635 0.043,636 0.129,637 -0.035,638 0.167,639 -0.006,640 0.054,641 -0.217,642 -0.186,643 0.004,644 -0.165,645 -0.051,646 -0.364,647 -0.089,648 -0.258,649 -0.094,650 -0.322,651 -0.006,652 0.043,653 0.156,654 0.091,655 0.015,656 0.112,657 4.062,658 4.843,659 0.794,660 38.837,661 1.013,662 1.139,663 1.112,664 1.236,665 0.666,666 3.664,667 4.043,668 4.317,669 4.595,670 4.898,671 5.069,672 5.278,673 5.476,674 5.638,675 5.768,676 7.261,677 0.628,678 504.71,679 3.664,680 5.242,681 6.107,682 7.009,683 7.897,684 8.805,685 9.703,686 10.617,687 11.521,688 12.438,689 12.9,692 2,693 1,695 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 62,733 18,735 38,737 66,738 21,739 10,746 5,747 6,752 1,761 10,762 11,766 2,769 1,771 2,781 28,782 11,783 2,784 13,785 2,790 8,794 0.8,795 3,806 2,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 2,848 34,849 1,852 1,854 9,856 1,859 3,865 1,870 4.8,873 2,874 1,877 17.417,878 11.733,879 7.167,880 3.626,881 3.002,882 1.361,883 1.007,884 6.704,885 11.323,886 3.892,887 4.541,888 5.073,889 5.679,890 6.271,891 6.712,892 7.218,893 7.702,894 8.065,895 8.435,896 1,897 57,898 12.76,900 5.658,901 7.767,902 24.378,904 20.702,905 2.267,906 77.083,910 306.049,911 112.295,912 107.806,914 55.313,916 37.085,917 75.21,918 361.361,919 107.806,920 16.016,921 23.925,922 38.705,923 145.997,924 36.705,925 6.331,926 313.784,928 306.049,929 183.016,930 55.313,931 37.085,933 308.377,934 44.313,935 11,937 59.531,938 54.015,939 72.95,940 31.278,941 306.049,942 163.119,943 112.295,945 5.807,946 306.049,947 72.377,948 41.878,950 155.352,951 306.049,952 163.119,953 112.295,955 0.598,956 0.34,957 0.175,958 0.102,959 29,960 13,961 0.076,962 5,963 1,964 1.074,965 4.376,966 336.088,967 0.074,968 27,969 158.974,970 1,973 1,974 23.766,975 9.591,976 5.049,977 1.988,978 163.119,979 3.299,980 18.044,983 1.718,984 4.75,986 32.897,987 581.463,988 48,991 -3.146,993 23.686,999 62.785,1000 70.607,1001 0.302,1002 0.611,1003 0.782,1004 0.833,1005 0.833,1006 0.833,1007 5.176,1008 1.782,1009 6.138,1010 6.032,1011 4.727,1012 5.228,1013 1.661,1014 7.006,1015 4.572,1016 6.413,1017 1.55,1018 7.739,1019 5.201,1020 4.511,1021 5.359,1022 0.57,1023 8.141,1024 4.292,1025 7.769,1026 1.443,1027 9.448,1028 4.604,1029 6.418,1030 7.55,1031 1.271,1032 11.195,1033 6.126,1034 9.164,1035 1.311,1036 11.221,1037 4.107,1038 6.995,1039 8.495,1040 0.581,1041 13.131,1042 6.639,1043 10.596,1044 1,1045 13.036,1046 3.227,1047 8.429,1048 10.246,1049 1.026,1050 15.763,1051 8.003,1052 12.053,1053 1,1054 14.879,1055 2.308,1056 9.346,1057 11.523,1058 0.515,1059 18.006,1060 8.853,1061 13.53,1062 1,1063 16.743,1064 2.275,1065 10.61,1066 13.126,1067 0.841,1068 20.509,1069 10.047,1070 3.317,1071 0.857,1072 18.622,1073 2.275,1074 11.677,1075 14.542,1076 0.441,1077 22.873,1078 11.045,1079 3.302,1080 11.658,1081 20.514,1082 2.136,1083 12.882,1084 16.093,1085 0.689,1086 25.335,1087 12.179,1088 2.836,1089 11.607,1090 22.415,1091 4.689,1092 14.015,1093 17.57,1094 0.373,1095 27.748,1096 13.24,1097 2.728,1098 9.304,1099 24.325,1100 4.51,1101 15.202,1102 19.103,1103 0.564,1104 30.199,1105 14.356,1106 2.474,1107 8.904,1108 26.24,1109 3.805,1110 16.365,1111 20.608,1112 0.314,1113 32.633,1114 15.445,1115 2.289,1116 7.358,1117 28.161,1118 3.401,1119 17.55,1120 22.136,1121 0.461,1122 35.082,1123 16.558,1124 2.021,1125 6.239,1126 30.087,1127 3.06,1128 18.726,1129 23.654,1130 0.264,1131 37.526,1132 17.661,1133 15500,1134 26937,1135 25.255,1136 41.318,1137 58.156,1138 59.857,1139 59.282,1140 58.28,1141 58.26,1142 73.484,1143 6.298,1144 175.669,1145 53.668,1146 5.744,1147 6.375,1148 6.913,1149 5.395,1150 5.317,1151 7.689,1152 1.776,1153 19.206,1154 5.02,1155 17.844,1156 1.53,1157 1.575,1158 1.56,1159 1.534,1160 1.533,1161 1.934,1162 0.166,1163 4.623,1164 1.412,1165 4.117,1166 4.14,1167 4.722,1168 4.087,1169 7.716,1170 4.044,1171 4.004,1172 4,1173 4.346,1174 3.954,1175 6.999,1176 3.829,1177 3.817,1178 3.865,1179 3.826,1180 3.679,1181 5.244,1182 3.691,1183 3.744,1184 3.794,1185 3.653,1186 3.535,1187 5.007,1188 3.547,1189 3.638,1190 3.671,1191 3.59,1192 3.47,1193 4.616,1194 3.445,1195 3.343,1196 3.409,1197 3.339,1198 3.146,1199 4.577,1200 3.165,1201 3.111,1202 3.206,1203 3.085,1204 2.941,1205 4.367,1206 2.91,1207 3.111,1208 3.206,1209 2.898,1210 2.941,1211 4.216,1212 2.91,1213 0.125,1214 0.115,1215 0.187,1216 0.112,1217 0.087,1218 4.744,1219 0.123,1220 4.375,1221 0.024,1222 7.111,1223 0.307,1224 4.251,1225 0.081,1226 3.317,1227 4.689,1228 0.916,1229 11.658,1230 3.086,1231 1.895,1232 1.861,1233 1.981,1234 2.061,1235 1.336,1236 2.069,1237 1.855,1238 1.844,1239 1.956,1240 2.04,1241 1.218,1242 2.034,1243 1.709,1244 1.66,1245 1.867,1246 1.932,1247 1.052,1248 1.915,1249 1.663,1250 1.644,1251 1.782,1252 1.813,1253 0.954,1254 1.835,1255 1.562,1256 1.528,1257 1.598,1258 1.738,1259 0.868,1260 1.763,1261 1.443,1262 1.417,1263 1.53,1264 1.583,1265 0.825,1266 1.619,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.763,1278 1.429,1279 4.344,1281 5.707,1282 2.398,1283 7.259,1284 4.844,1285 8.891,1286 7.034,1287 10.567,1289 3.37,1293 5.666,1295 6.057,1297 5.554,1300 6.097,1305 38.958,1306 111.561,1307 225.611,1308 288.631,1309 307.65,1310 307.65,1311 307.65,1312 61.86,1313 8.321,1314 130.67,1315 167.29,1316 29,1317 12.952,1318 4.248,1319 3.459,1320 49.809,1321 148,1322 148,1323 0.166,1324 243.356,1325 410.27,1326 585.548,1327 46541,1329 23.872,1330 0.702,1331 0.615,1332 24.475,1333 20.901,1334 16.292,1335 0.429,1336 0.364,1337 11.182,1338 14.254,1339 10.664,1340 8.716,1341 17.594,1342 13.839,1343 15.815,1344 0.282,1345 0.208,1346 17.818,1347 11.654,1348 12.934,1349 0.175,1350 0.119,1351 14.55,1352 8.819,1353 10.58,1354 0.108,1355 0.065,1356 12.107,1357 6.395,1358 9.054,1359 0.068,1360 0.035,1361 10.38,1362 4.618,1363 0.259,1364 116.53,1365 0.199,1366 31.187,1367 0.463,1368 188,1369 575.755,1370 269.779,1371 588.226,1372 802.46,1373 548,1374 224,1375 551.722,1376 313.976,1377 603.511,1378 886.15,1379 564,1380 8.398}
{0 CHEMBL1091979,1 1.731,2 9.793,3 1.457,4 2.123,5 112.791,6 7.953,7 0.5,8 4.069,9 4.194,10 3.733,11 3.57,12 5.175,13 3.55,14 4.621,15 4.818,16 4.133,17 3.966,18 5.696,19 3.925,20 4.772,21 4.948,22 4.233,23 4.107,24 5.849,25 4.049,26 4.883,27 5.095,28 4.167,29 4.184,30 5.903,31 4.067,32 4.877,33 5.104,34 4.232,35 4.211,36 5.792,37 4.094,38 4.84,39 5.007,40 4.227,41 4.222,42 5.907,43 4.133,44 4.939,45 5.142,46 4.104,47 4.163,48 5.976,49 4.066,50 5.02,51 5.309,52 3.891,53 4.022,54 5.931,55 3.902,56 0.069,57 0.856,58 10.644,59 4.432,60 9.091,61 5.717,62 0.474,63 1.332,64 23.117,65 7.545,66 31.734,67 9.736,68 0.459,69 1.562,70 29.096,71 8.444,72 36.71,73 11.321,74 0.517,75 1.667,76 33.231,77 11.111,78 54.37,79 14.12,80 0.424,81 1.654,82 38.595,83 12.382,84 28.675,85 15.599,86 0.417,87 1.698,88 32.219,89 11.064,90 23.811,91 13.389,92 0.432,93 1.685,94 31.728,95 10.506,96 47.251,97 14.743,98 0.662,99 1.573,100 37.605,101 10.353,102 60.222,103 15.882,104 29,105 46,106 0.289,107 0.621,108 0.789,109 0.808,110 0.808,111 0.808,112 3.409,113 0.954,114 -3.02,115 -3.02,116 -2.91,119 36.5,120 2,124 1,125 5,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,172 1,174 4,175 7,177 2,178 2,183 1,186 1,187 6,195 1,198 5,199 4,204 1,207 1,209 1,211 2,212 4,220 4,223 4,224 4,226 2,227 2,232 1,236 2,237 8,249 2,250 3,252 1,253 1,255 1,260 1,262 5,263 1,268 2,271 1,273 2,275 1287,276 19.361,277 19.361,278 19.361,279 19.361,280 19.361,281 17.315,282 22.489,283 11.259,284 20.111,285 15.772,286 15.772,287 15.772,288 15.772,289 15.772,290 12.595,291 27.285,292 5.375,293 17.013,294 3.969,295 1.975,296 0.967,297 0.851,298 0.851,299 0.851,300 4.102,304 1,305 1,306 607,307 3.391,310 63.07,311 245.239,314 115.774,318 1.524,319 28.896,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 63.5,331 284,332 4.725,333 3.665,334 6.907,335 4.24,336 3.306,337 4.689,338 1.943,339 11.607,340 3.083,341 4.19,342 3.406,343 6.259,344 3.795,345 2.846,346 3.805,347 0.86,348 9.309,349 2.705,350 3.985,351 3.033,352 6.103,353 3.678,354 2.735,355 3.405,356 0.8,357 8.904,358 2.574,359 3.808,360 2.825,361 5.774,362 3.549,363 2.593,364 3.06,365 0.736,366 7.615,367 2.469,368 3.66,369 2.482,370 5.372,371 3.202,372 2.295,373 2.99,374 0.079,375 6.362,376 2.079,377 3.314,378 2.325,379 5.045,380 2.973,381 2.033,382 2.545,384 6.051,385 1.896,386 3.089,387 2.253,388 4.892,389 2.685,390 1.774,391 2.221,393 5.198,394 1.599,395 2.87,396 1.891,397 4.388,398 2.355,399 1.447,400 2.014,402 4.125,403 1.311,404 2.53,405 1.682,406 4.063,407 2.237,408 1.341,409 1.53,411 3.254,412 1.185,413 2.5,414 1.42,415 3.601,416 2.01,417 1.046,418 1.5,420 2.513,421 0.989,422 2.347,423 1.256,424 3.459,425 1.952,426 1,427 1.246,428 2.275,429 0.946,430 2.098,431 1.116,432 3.414,433 1.917,434 1,435 1.014,436 2.163,437 0.916,438 2,439 1,440 3.247,441 1.719,442 0.828,443 1,445 2.136,446 0.727,447 1.338,448 0.423,449 2.901,450 0.996,451 0.085,452 0.101,454 0.218,455 0.077,456 1.062,457 0.277,458 2.671,459 0.677,460 -0.229,461 -0.281,463 -0.528,464 -0.207,465 13.8,466 0.476,467 0.822,468 0.028,469 37,470 1.276,471 16.5,472 0.569,473 20.5,474 0.707,475 27.527,476 0.949,477 31.8,478 0.612,479 27.596,480 0.952,481 7.165,482 0.247,483 6.77,484 0.233,485 0.162,487 0.384,493 0.867,494 1.557,495 0.736,496 1.102,497 0.731,498 0.989,499 1.05,500 0.81,501 0.766,502 0.664,503 0.597,504 0.669,505 1.198,506 1.328,507 1.099,508 1.153,509 1.08,510 1.018,511 0.936,512 0.995,513 1.185,514 1.094,515 1.178,516 1.08,517 0.582,518 1.01,519 1.159,520 1.165,521 0.465,522 0.864,523 0.846,524 1.177,525 1.461,526 1.5,527 0.707,528 1.296,529 0.883,530 1.427,531 1.068,532 1.348,533 0.962,534 1.354,535 0.863,536 0.879,537 0.759,538 0.78,539 0.685,540 0.91,541 6,542 0.153,543 3.778,544 1.951,545 1.583,546 1.657,547 0.921,548 0.448,549 0.482,550 0.297,551 9615,552 27879,553 2.07,554 44.2,555 3,556 13,558 2,559 2,560 3,564 1.728,565 1.912,566 3.266,567 0.33,568 1,569 1,573 90.019,574 1.731,575 3.725,576 4.734,577 4.849,578 4.849,579 4.849,580 2.755,581 4.513,582 4.823,583 3.433,584 1393.74,585 8.453,586 18308.3,588 1,590 1,591 296.423,592 1.487,593 4.777,594 0.188,595 0.008,596 0.082,597 0.041,598 0.036,599 0.034,600 0.019,601 0.011,602 0.014,603 0.011,604 0.443,605 0.33,606 1,607 1.107,608 144.488,609 -0.076,610 -0.327,611 0.073,612 -0.078,613 -0.077,614 -0.025,615 0.019,616 0.298,617 0.189,618 0.318,619 0.117,620 0.271,621 -0.154,622 -0.201,623 -0.04,624 -0.063,625 -0.093,626 -0.052,627 -0.075,628 0.084,629 -0.106,630 0.003,631 -0.154,632 -0.084,633 0.095,634 0.045,635 0.111,636 0.095,637 0.09,638 0.21,639 -0.031,640 0.019,641 -0.324,642 -0.305,643 -0.016,644 -0.297,645 -0.018,646 -0.396,647 -0.199,648 -0.381,649 -0.07,650 -0.373,651 0.026,652 -0.001,653 0.082,654 0.033,655 0.06,656 0.052,657 1.638,658 4.712,659 0.724,660 28.238,661 1.01,662 1.137,663 1.785,664 3.187,665 0.667,666 3.497,667 3.85,668 4.143,669 4.419,670 4.736,671 4.905,672 5.124,673 5.313,674 5.425,675 5.489,676 6.035,677 0.634,678 413.56,679 3.497,680 5.056,681 5.922,682 6.815,683 7.708,684 8.612,685 9.518,686 10.43,687 11.343,688 12.261,689 13.5,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 52,733 17,735 32,737 55,738 19,739 10,746 4,747 5,752 2,761 11,762 8,766 1,771 1,775 1,778 1,781 23,782 9,783 2,784 10,785 1,790 7,794 0.75,795 2,806 2,811 1,812 3,815 1,827 1,839 1,840 3,842 1,844 3,848 29,849 1,854 5,856 1,859 2,865 1,870 3.8,873 1,874 1,877 15.167,878 10.45,879 6.278,880 3.013,881 3.016,882 1.391,883 0.988,884 5.724,885 10.725,886 3.738,887 4.366,888 4.981,889 5.612,890 6.23,891 6.677,892 7.194,893 7.677,894 8.019,895 8.366,896 0.857,897 48,898 10.7,900 4.513,901 7.736,902 20.464,904 16.681,905 2.236,906 64.833,910 247.193,911 112.8,912 106.288,914 36.145,916 31.278,917 81.523,918 283.338,919 106.288,920 26.047,921 18.626,922 32.897,923 131.534,924 32.062,925 6.331,926 254.929,928 247.193,929 187.811,930 36.145,931 31.278,933 249.521,934 25.145,935 11,937 58.415,938 59.926,939 67.142,940 31.278,941 247.193,942 142.433,943 112.8,946 247.193,947 68.659,948 50.39,950 136.184,951 247.193,952 142.433,953 112.8,955 0.591,956 0.344,957 0.174,958 0.106,959 23,960 11,961 0.073,962 4,963 1,964 1.095,965 3.904,966 267.936,967 0.095,968 21,969 132.881,970 1,974 20.081,975 8.267,976 4.084,977 1.918,978 142.433,979 3.275,980 17.833,983 1.644,984 4.536,986 32.897,987 502.426,988 41,993 11.712,997 0.029,999 52.512,1000 59.149,1001 0.304,1002 0.653,1003 0.83,1004 0.851,1005 0.851,1006 0.851,1007 4.997,1008 1.447,1009 5.927,1010 5.198,1011 4.533,1012 5.053,1013 2.368,1014 6.77,1015 4.389,1016 6.217,1017 1.341,1018 7.51,1019 4.125,1020 4.205,1021 4.987,1022 1.738,1023 7.727,1024 4.028,1025 7.54,1026 1.046,1027 9.194,1028 3.254,1029 6.159,1030 7.302,1031 3.068,1032 10.854,1033 5.887,1034 8.9,1035 1,1036 10.934,1037 2.513,1038 6.635,1039 8.077,1040 3.151,1041 12.643,1042 6.326,1043 10.295,1044 1,1045 12.712,1046 2.275,1047 8.086,1048 9.906,1049 4.161,1050 15.303,1051 7.693,1052 11.714,1053 0.828,1054 14.515,1055 2.163,1056 8.925,1057 11.078,1058 4.551,1059 17.451,1060 8.482,1061 13.153,1062 0.085,1063 16.337,1064 2.136,1065 10.185,1066 12.72,1067 5.397,1068 19.955,1069 9.666,1070 3.306,1071 -0.229,1072 18.173,1073 0.218,1074 11.197,1075 14.086,1076 5.925,1077 22.264,1078 10.617,1079 2.846,1080 11.607,1081 20.022,1082 -0.528,1083 12.387,1084 15.658,1085 6.685,1086 24.718,1087 11.734,1088 2.735,1089 9.309,1090 21.88,1091 4.689,1092 13.481,1093 17.117,1094 7.279,1095 27.099,1096 12.761,1097 2.593,1098 8.904,1099 23.747,1100 3.805,1101 14.651,1102 18.663,1103 7.993,1104 29.541,1105 13.859,1106 2.295,1107 7.615,1108 25.622,1109 3.405,1110 15.787,1111 20.166,1112 8.621,1113 31.956,1114 14.924,1115 2.033,1116 6.362,1117 27.502,1118 3.06,1119 16.955,1120 21.706,1121 9.312,1122 34.396,1123 16.02,1124 1.774,1125 6.051,1126 29.388,1127 2.99,1128 18.113,1129 23.229,1130 9.957,1131 36.828,1132 17.106,1133 9336,1134 16031,1135 21.096,1136 34.688,1137 49.033,1138 49.715,1139 50.354,1140 48.628,1141 48.659,1142 62.239,1143 8.836,1144 143.457,1145 45.111,1146 5.725,1147 5.665,1148 6.709,1149 5.38,1150 5.306,1151 7.689,1152 3.352,1153 19.157,1154 5.013,1155 15.747,1156 1.532,1157 1.554,1158 1.574,1159 1.52,1160 1.521,1161 1.945,1162 0.276,1163 4.483,1164 1.41,1165 4.107,1166 4.13,1167 4.347,1168 4.082,1169 7.428,1170 4.04,1171 3.818,1172 3.869,1173 3.826,1174 3.679,1175 5.244,1176 3.692,1177 3.746,1178 3.801,1179 3.651,1180 3.532,1181 5.006,1182 3.548,1183 3.652,1184 3.707,1185 3.569,1186 3.419,1187 4.616,1188 3.444,1189 3.339,1190 3.403,1191 3.334,1192 3.137,1193 4.577,1194 3.158,1195 3.161,1196 3.26,1197 3.085,1198 2.956,1199 4.321,1200 2.922,1201 3.111,1202 3.206,1203 2.938,1204 2.941,1205 4.089,1206 2.91,1207 3.064,1208 3.146,1209 2.866,1210 2.889,1211 3.962,1212 2.874,1213 0.148,1214 0.115,1215 0.216,1216 0.132,1217 0.103,1218 4.725,1219 0.147,1220 3.665,1221 0.061,1222 6.907,1223 0.363,1224 4.24,1225 0.096,1226 3.306,1227 4.689,1228 1.943,1229 11.607,1230 3.083,1231 1.894,1232 1.86,1233 1.965,1234 2.059,1235 1.218,1236 2.035,1237 1.711,1238 1.667,1239 1.881,1240 1.933,1241 1.093,1242 1.917,1243 1.7,1244 1.655,1245 1.841,1246 1.892,1247 0.959,1248 1.887,1249 1.574,1250 1.528,1251 1.751,1252 1.781,1253 0.825,1254 1.769,1255 1.43,1256 1.395,1257 1.579,1258 1.586,1259 0.805,1260 1.614,1261 1.168,1262 1.068,1263 1.513,1264 1.442,1265 0.723,1266 1.485,1267 1.153,1268 1.064,1269 1.51,1270 1.376,1271 0.609,1272 1.429,1273 1.031,1274 0.956,1275 1.357,1276 1.293,1277 0.491,1278 1.313,1279 4.174,1281 5.517,1282 2.398,1283 7.054,1284 4.844,1285 8.675,1286 7.034,1287 10.347,1289 5.417,1293 5.625,1295 3.407,1297 5.51,1300 3.928,1305 32.981,1306 90.019,1307 193.712,1308 246.158,1309 252.158,1310 252.158,1311 252.158,1312 45.429,1313 7.71,1314 110.36,1315 138.6,1316 23,1317 12.773,1318 4.17,1319 3.322,1320 44.279,1321 105,1322 112,1323 0.213,1324 206.716,1325 347.09,1326 496.146,1327 20751,1329 20.543,1330 0.708,1331 0.603,1332 20.897,1333 17.492,1334 13.936,1335 0.435,1336 0.318,1337 9.245,1338 12.784,1339 8.863,1340 7.324,1341 14.344,1342 10.177,1343 12.953,1344 0.282,1345 0.176,1346 13.569,1347 8.108,1348 11.039,1349 0.178,1350 0.101,1351 11.898,1352 6.267,1353 8.638,1354 0.105,1355 0.055,1356 9.661,1357 4.484,1358 7.613,1359 0.067,1360 0.029,1361 8.592,1362 3.293,1363 0.323,1364 92.521,1365 0.218,1366 26.971,1367 0.62,1368 156,1369 481.514,1370 200.065,1371 480.86,1372 660.12,1373 452,1374 186,1375 471.706,1376 231.084,1377 492.384,1378 725.73,1379 461,1380 8.523}
{0 CHEMBL1092034,1 1.579,2 17.558,3 3.263,4 10.65,5 165.621,6 7.094,7 0.375,8 4.527,9 4.664,10 4.061,11 3.955,12 5.54,13 3.955,14 5.12,15 5.326,16 4.426,17 4.358,18 6.109,19 4.335,20 5.366,21 5.595,22 4.489,23 4.554,24 6.288,25 4.492,26 5.461,27 5.721,28 4.442,29 4.563,30 6.387,31 4.472,32 5.411,33 5.681,34 4.429,35 4.5,36 6.411,37 4.425,38 5.247,39 5.475,40 4.414,41 4.471,42 6.191,43 4.411,44 5.283,45 5.499,46 4.426,47 4.552,48 6.236,49 4.48,50 5.444,51 5.671,52 4.391,53 4.666,54 6.346,55 4.529,56 0.043,57 1.312,58 18.821,59 6.481,60 10.888,61 9.848,62 0.749,63 2.051,64 37.937,65 10.75,66 50.589,67 16.497,68 0.739,69 2.489,70 49.016,71 13.714,72 53.399,73 21.972,74 0.684,75 2.56,76 54.996,77 15.315,78 71.853,79 25.004,80 1.047,81 2.409,82 53.412,83 13.436,84 102.303,85 22.547,86 0.476,87 2.266,88 42.833,89 12.695,90 47.736,91 20.166,92 0.776,93 2.388,94 44.07,95 13.345,96 53.085,97 20.811,98 0.475,99 2.558,100 51.503,101 20.245,102 65.168,103 28.992,104 17,105 67,106 0.239,107 0.528,108 0.713,109 0.787,110 0.796,111 0.796,112 3.787,113 0.935,114 -4.17,115 -4.11,116 -3.89,119 36.1,120 2,124 1,125 10,127 2,142 6,143 1,144 2,145 1,147 1,149 1,150 2,159 1,172 5,174 8,175 6,178 2,179 1,180 3,183 4,186 3,187 8,190 1,192 3,195 2,198 3,199 14,204 4,211 6,212 10,215 2,217 3,224 12,227 2,229 1,232 4,236 5,237 4,240 1,245 8,249 2,250 6,253 6,258 8,263 9,271 1,275 4220,276 29.325,277 29.325,278 29.325,279 29.325,280 29.325,281 27.163,282 47.901,283 17.301,284 30.378,285 23.718,286 23.718,287 23.718,288 23.718,289 23.718,290 20.332,291 75.442,292 8.27,293 25.423,294 4.796,295 2.88,296 1.657,297 1.169,298 1.112,299 1.112,300 4.501,306 1672,307 3.391,311 963.663,318 2.819,319 38.426,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 94,331 755,332 4.415,333 3.562,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.895,341 4.158,342 3.349,343 6.384,344 3.823,345 2.893,346 3.703,347 0.86,348 9.695,349 2.707,350 4.09,351 3.198,352 6.148,353 3.813,354 2.891,355 3.605,356 0.86,357 9.075,358 2.681,359 3.958,360 3.136,361 6.12,362 3.767,363 2.803,364 3.122,365 0.8,366 8.96,367 2.66,368 3.855,369 2.851,370 5.564,371 3.575,372 2.621,373 3.091,374 0.8,375 7.622,376 2.489,377 3.687,378 2.662,379 5.333,380 3.373,381 2.422,382 2.966,383 0.8,384 6.934,385 2.302,386 3.437,387 2.522,388 5.203,389 3.194,390 2.265,391 2.583,392 0.8,393 6.247,394 2.102,395 3.335,396 2.438,397 5.039,398 3.076,399 2.139,400 2.433,401 0.247,402 6.077,403 1.999,404 3.239,405 2.314,406 4.891,407 2.856,408 1.871,409 2.344,411 5.254,412 1.827,413 3.045,414 2.264,415 4.664,416 2.765,417 1.851,418 2.139,420 5.054,421 1.691,422 2.762,423 1.89,424 4.311,425 2.358,426 1.42,427 1.86,428 3.986,429 1.329,430 2.61,431 1.752,432 4.255,433 2.336,434 1.414,435 1.621,436 3.821,437 1.303,438 2.5,439 1.631,440 3.911,441 2.328,442 1.414,443 1.5,445 3.111,446 1.282,447 2.5,448 1.539,449 3.832,450 2.277,451 1.347,452 1.5,454 3.068,455 1.238,456 2.414,457 1.278,458 3.585,459 2,460 1.075,461 1.414,463 2.764,464 1,465 20,466 0.465,467 1.006,468 0.023,469 53.25,470 1.238,471 22,472 0.512,473 31.25,474 0.727,475 43.479,476 1.011,477 48.4,478 0.583,479 45.676,480 1.062,481 10.314,482 0.24,483 10.61,484 0.247,485 0.092,487 0.33,493 0.899,494 1.795,495 0.815,496 1.364,497 0.675,498 1.11,499 1.15,500 1.005,501 0.942,502 0.89,503 0.675,504 0.884,505 1.131,506 1.151,507 1.056,508 1.015,509 0.914,510 1.015,511 0.962,512 1.156,513 0.974,514 1.043,515 0.91,516 1.009,517 1.004,518 0.836,519 0.944,520 0.754,521 1.336,522 0.809,523 0.973,524 1.201,525 0.966,526 1.054,527 1.026,528 1.004,529 0.956,530 0.965,531 1.181,532 1.029,533 0.804,534 1.104,535 0.503,536 1.167,537 1.062,538 1.467,539 0.647,540 1.386,541 8.5,542 0.215,543 4.889,544 2.563,545 1.764,546 1.847,547 1.254,548 0.578,549 0.454,550 0.452,551 37484,552 86924,553 2.14,554 48.2,556 31,558 1,559 2,561 6,564 1.813,565 2.031,566 3.981,567 0.184,573 131.07,574 1.579,575 3.495,576 4.718,577 5.206,578 5.263,579 5.263,580 3.443,581 4.665,582 5.395,583 4.261,584 3847.4,585 9.527,586 74176.1,591 529.128,592 1.301,593 5.371,594 0.177,595 0.006,596 0.073,597 0.037,598 0.027,599 0.028,600 0.019,601 0.009,602 0.008,603 0.01,604 0.393,605 0.33,606 0.63,607 0.445,608 252.448,609 -0.038,610 -0.467,611 0.088,612 -0.205,613 -0.019,614 -0.061,615 0.043,616 0.156,617 0.05,618 0.103,619 0.123,620 0.072,621 -0.107,622 -0.05,623 -0.078,624 -0.016,625 -0.042,626 -0.038,627 -0.057,628 -0.141,629 0.006,630 -0.063,631 0.017,632 -0.025,633 0.019,634 0.181,635 0.063,636 0.17,637 -0.008,638 0.136,639 -0.089,640 -0.085,641 -0.008,642 -0.028,643 -0.056,644 -0.005,645 -0.066,646 0.216,647 -0.232,649 -0.082,650 -0.113,651 0.157,652 -0.121,653 -0.15,654 -0.331,655 0.097,656 -0.302,657 2.005,658 5.73,659 0.837,660 61.997,661 1.003,662 1.143,663 2.94,664 8.645,665 0.637,666 3.892,667 4.22,668 4.489,669 4.745,670 5.004,671 5.088,672 5.273,673 5.421,674 5.533,675 5.67,676 10.167,677 0.606,678 588.8,679 3.892,680 5.442,681 6.293,682 7.168,683 8.032,684 8.91,685 9.78,686 10.662,687 11.535,688 12.419,689 12,692 1,695 3,696 2,699 4,702 1,704 7,705 4,709 7,711 18,726 3,731 83,733 19,734 1,735 48,737 88,738 30,739 14,740 2,741 4,746 6,747 6,751 1,752 2,755 2,758 2,761 15,762 15,766 1,771 1,775 1,781 40,782 13,783 2,784 13,790 10,794 1,795 3,805 1,812 6,836 1,839 2,840 6,844 3,848 43,854 10,855 2,856 2,858 2,859 4,870 3.6,873 1,874 2,877 21.167,878 15.6,879 9.333,880 5.104,881 3.409,882 1.382,883 0.975,884 9.43,885 12.33,886 4.078,887 4.6,888 5.101,889 5.642,890 6.189,891 6.447,892 6.882,893 7.245,894 7.532,895 7.888,896 1,897 70,898 15.959,900 6.761,901 7.593,902 31.015,904 25.609,905 2.093,906 90,910 447.302,911 144.384,912 115.661,914 47.145,917 144.384,918 494.447,919 115.661,920 26.047,921 67.025,922 56.857,923 126.058,924 32.572,925 10.402,926 435.531,928 447.302,929 260.045,930 47.145,933 379.003,934 95.772,935 22,937 100.646,938 89.93,939 67.142,941 447.302,942 162.806,943 144.384,946 447.302,947 52.433,948 104.449,949 36.022,950 114.287,951 447.302,952 162.806,953 144.384,955 0.583,956 0.338,957 0.181,958 0.101,959 32,960 14,961 0.068,962 6,964 1,965 5.315,966 440.298,968 36,969 207.329,974 29.821,975 13.598,976 7.293,978 162.806,979 13.041,980 19.164,984 4.909,986 36.022,987 754.492,988 58,993 12.73,997 -0.339,999 83.254,1000 94.839,1001 0.248,1002 0.548,1003 0.74,1004 0.817,1005 0.826,1006 0.826,1007 5.34,1008 2.139,1009 6.271,1010 6.247,1011 4.905,1012 5.288,1013 2.534,1014 7.062,1015 4.773,1016 6.501,1017 1.871,1018 7.816,1019 6.077,1020 4.443,1021 4.966,1022 1.577,1023 7.901,1024 4.254,1025 7.781,1026 1.851,1027 9.458,1028 5.254,1029 6.485,1030 7.328,1031 2.723,1032 10.988,1033 6.219,1034 9.089,1035 1.42,1036 11.157,1037 5.054,1038 6.825,1039 7.792,1040 2.438,1041 12.652,1042 6.496,1043 10.428,1044 1.414,1045 12.893,1046 3.986,1047 8.326,1048 9.661,1049 3.344,1050 15.24,1051 7.925,1052 11.788,1053 1.414,1054 14.655,1055 3.821,1056 9.048,1057 10.507,1058 3.434,1059 17.254,1060 8.574,1061 13.164,1062 1.347,1063 16.436,1064 3.111,1065 10.316,1066 12.152,1067 4.184,1068 19.66,1069 9.773,1070 3.133,1071 1.075,1072 18.231,1073 3.068,1074 11.227,1075 13.209,1076 4.471,1077 21.831,1078 10.607,1079 2.893,1080 10.418,1081 20.037,1082 2.764,1083 12.393,1084 14.735,1085 5.119,1086 24.169,1087 11.703,1088 2.891,1089 9.695,1090 21.852,1091 4.056,1092 13.398,1093 15.917,1094 5.505,1095 26.411,1096 12.629,1097 2.803,1098 9.075,1099 23.674,1100 3.703,1101 14.522,1102 17.378,1103 6.093,1104 28.727,1105 13.68,1106 2.621,1107 8.96,1108 25.502,1109 3.605,1110 15.575,1111 18.637,1112 6.531,1113 31.004,1114 14.653,1115 2.422,1116 7.622,1117 27.335,1118 3.122,1119 16.684,1120 20.06,1121 7.084,1122 33.313,1123 15.687,1124 2.265,1125 6.934,1126 29.172,1127 3.091,1128 17.762,1129 21.367,1130 7.551,1131 35.609,1132 16.685,1133 34450,1134 52721,1135 32.709,1136 52.841,1137 72.105,1138 73.006,1139 73.565,1140 71.426,1141 71.45,1142 85.669,1143 13.646,1144 203.861,1145 66.804,1146 5.415,1147 5.562,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.895,1155 18.826,1156 1.502,1157 1.521,1158 1.533,1159 1.488,1160 1.489,1161 1.785,1162 0.284,1163 4.247,1164 1.392,1165 4.028,1166 4.079,1167 3.984,1168 3.898,1169 7.431,1170 3.909,1171 3.929,1172 3.986,1173 3.875,1174 3.784,1175 5.079,1176 3.798,1177 3.851,1178 3.897,1179 3.78,1180 3.674,1181 4.888,1182 3.697,1183 3.784,1184 3.84,1185 3.672,1186 3.579,1187 4.701,1188 3.592,1189 3.736,1190 3.803,1191 3.629,1192 3.55,1193 4.623,1194 3.559,1195 3.573,1196 3.63,1197 3.501,1198 3.349,1199 4.598,1200 3.382,1201 3.387,1202 3.439,1203 3.33,1204 3.108,1205 4.357,1206 3.155,1207 3.264,1208 3.352,1209 3.037,1210 3.089,1211 4.072,1212 3.065,1213 0.092,1214 0.074,1215 0.137,1216 0.084,1217 0.065,1218 4.415,1219 0.084,1220 3.562,1221 0.035,1222 6.563,1223 0.217,1224 4.053,1225 0.06,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.895,1231 1.933,1232 1.901,1233 2.025,1234 2.088,1235 1.292,1236 2.066,1237 1.869,1238 1.82,1239 2.011,1240 2.059,1241 1.252,1242 2.048,1243 1.787,1244 1.733,1245 1.962,1246 1.977,1247 1.235,1248 1.975,1249 1.73,1250 1.673,1251 1.947,1252 1.962,1253 1.101,1254 1.958,1255 1.696,1256 1.629,1257 1.87,1258 1.894,1259 0.944,1260 1.891,1261 1.467,1262 1.411,1263 1.644,1264 1.717,1265 0.895,1266 1.68,1267 1.293,1268 1.211,1269 1.636,1270 1.554,1271 0.894,1272 1.565,1273 1.29,1274 1.21,1275 1.546,1276 1.52,1277 0.825,1278 1.562,1279 4.575,1281 5.9,1283 7.42,1285 9.023,1287 10.667,1289 6.356,1295 7.867,1296 5.765,1297 11.283,1299 0.31,1300 8.915,1305 50.26,1306 131.07,1307 290.122,1308 391.579,1309 432.109,1310 436.864,1311 436.864,1312 70.157,1313 8.921,1314 124.11,1315 124.11,1316 36,1317 12.954,1318 4.322,1319 3.459,1320 64.205,1321 264,1322 305,1323 0.115,1324 304.838,1325 530.67,1326 735.565,1327 119390,1329 29.761,1330 0.692,1331 0.583,1332 29.761,1333 25.07,1334 20.924,1335 0.436,1336 0.312,1337 14.651,1338 19.799,1339 14.302,1340 11.783,1341 20.924,1342 14.956,1343 18.997,1344 0.284,1345 0.169,1346 18.997,1347 11.346,1348 16.031,1349 0.182,1350 0.092,1351 16.031,1352 8.095,1353 13.412,1354 0.118,1355 0.048,1356 13.412,1357 5.467,1358 11.088,1359 0.075,1360 0.025,1361 11.088,1362 3.696,1363 0.187,1364 132.963,1365 0.175,1366 38.801,1367 0.297,1368 230,1369 661.033,1370 260.229,1371 625.749,1372 865.89,1373 592,1374 270,1375 644.247,1376 301.593,1377 646.355,1378 952.95,1379 607,1380 6.073}
{0 CHEMBL1092035,1 1.553,2 17.558,3 3.875,4 15.015,5 167.464,6 6.998,7 0.375,8 4.533,9 4.67,10 4.057,11 3.977,12 5.534,13 3.969,14 5.127,15 5.332,16 4.422,17 4.382,18 6.103,19 4.351,20 5.381,21 5.61,22 4.484,23 4.582,24 6.285,25 4.511,26 5.475,27 5.733,28 4.439,29 4.599,30 6.384,31 4.496,32 5.442,33 5.714,34 4.425,35 4.535,36 6.403,37 4.449,38 5.281,39 5.514,40 4.413,41 4.495,42 6.213,43 4.428,44 5.293,45 5.508,46 4.423,47 4.574,48 6.231,49 4.494,50 5.461,51 5.69,52 4.389,53 4.687,54 6.348,55 4.543,56 0.022,57 1.314,58 19.279,59 6.827,60 10.7,61 10.209,62 0.689,63 2.078,64 38.399,65 11.293,66 49.315,67 17.116,68 0.671,69 2.539,70 49.892,71 14.473,72 51.791,73 22.852,74 0.584,75 2.632,76 55.561,77 16.637,78 68.607,79 26.368,80 0.885,81 2.494,82 54.939,83 14.59,84 94.258,85 24.093,86 0.476,87 2.323,88 44.856,89 13.381,90 51.712,91 21.078,92 0.723,93 2.421,94 44.765,95 14.118,96 51.343,97 21.686,98 0.429,99 2.609,100 52.649,101 21.076,102 63.769,103 29.981,104 17,105 67,106 0.234,107 0.513,108 0.679,109 0.756,110 0.777,111 0.781,112 3.787,113 0.944,114 -4.26,115 -4.2,116 -3.97,119 36.9,120 2,124 1,125 10,127 2,142 8,143 1,144 3,149 1,150 2,159 1,172 6,174 7,175 6,178 2,179 1,180 4,183 6,186 3,187 8,192 4,195 4,198 3,199 15,204 5,211 4,212 12,215 1,217 4,224 13,227 2,229 1,232 6,236 5,237 2,240 1,245 12,249 2,250 4,253 6,258 11,263 8,271 2,275 4220,276 29.325,277 29.325,278 29.325,279 29.325,280 29.325,281 27.163,282 47.901,283 17.301,284 30.322,285 23.718,286 23.718,287 23.718,288 23.718,289 23.718,290 20.332,291 75.442,292 8.27,293 25.328,294 4.84,295 2.992,296 1.89,297 1.378,298 1.241,299 1.217,300 4.501,306 1672,307 3.391,311 963.663,318 2.819,319 36.202,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 93.5,331 755,332 4.415,333 3.562,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.895,341 4.158,342 3.349,343 6.384,344 3.839,345 2.893,346 3.703,347 0.86,348 9.695,349 2.744,350 4.09,351 3.198,352 6.148,353 3.813,354 2.891,355 3.605,356 0.86,357 9.075,358 2.692,359 3.958,360 3.136,361 6.12,362 3.768,363 2.803,364 3.122,365 0.8,366 8.96,367 2.66,368 3.855,369 2.851,370 5.564,371 3.576,372 2.621,373 3.091,374 0.8,375 7.622,376 2.492,377 3.687,378 2.662,379 5.333,380 3.376,381 2.422,382 2.966,383 0.8,384 6.934,385 2.307,386 3.437,387 2.522,388 5.203,389 3.199,390 2.265,391 2.583,392 0.8,393 6.247,394 2.113,395 3.335,396 2.438,397 5.039,398 3.077,399 2.139,400 2.433,401 0.247,402 6.077,403 2.001,404 3.239,405 2.314,406 4.891,407 2.858,408 1.871,409 2.344,411 5.254,412 1.83,413 3.045,414 2.264,415 4.664,416 2.765,417 1.851,418 2.139,420 5.054,421 1.691,422 2.762,423 1.89,424 4.311,425 2.368,426 1.42,427 1.86,428 3.986,429 1.342,430 2.61,431 1.752,432 4.255,433 2.34,434 1.414,435 1.621,436 3.821,437 1.31,438 2.5,439 1.631,440 3.911,441 2.328,442 1.414,443 1.5,445 3.111,446 1.282,447 2.5,448 1.539,449 3.832,450 2.278,451 1.347,452 1.5,454 3.068,455 1.239,456 2.414,457 1.278,458 3.585,459 2,460 1.075,461 1.414,463 2.764,464 1,465 20.1,466 0.467,467 1.006,468 0.023,469 52.75,470 1.227,471 22,472 0.512,473 30.75,474 0.715,475 43.867,476 1.02,477 48.3,478 0.575,479 45.288,480 1.053,481 10.235,482 0.238,483 10.689,484 0.249,485 0.091,487 0.328,493 0.895,494 1.735,495 0.83,496 1.333,497 0.681,498 1.103,499 1.162,500 1.012,501 0.954,502 0.9,503 0.67,504 0.896,505 1.146,506 1.133,507 1.067,508 1.003,509 0.914,510 1.012,511 0.912,512 1.16,513 0.975,514 1.074,515 0.869,516 1.036,517 0.997,518 0.898,519 0.926,520 0.791,521 1.324,522 0.822,523 1.025,524 1.144,525 0.975,526 1.004,527 1.145,528 0.974,529 0.927,530 0.965,531 1.178,532 1.041,533 0.789,534 1.113,535 0.481,536 1.153,537 1.056,538 1.44,539 0.641,540 1.366,541 8.5,542 0.215,543 4.889,544 2.563,545 1.764,546 1.847,547 1.254,548 0.578,549 0.454,550 0.452,551 37484,552 84424,553 2.14,554 48.8,556 33,559 2,561 6,564 1.813,565 2.031,566 3.981,567 0.16,573 130.431,574 1.553,575 3.4,576 4.502,577 5.014,578 5.151,579 5.175,580 3.443,581 4.665,582 5.395,583 4.261,584 3847.4,585 9.527,586 74176.1,591 536.955,592 1.301,593 5.371,594 0.177,595 0.006,596 0.073,597 0.037,598 0.027,599 0.028,600 0.019,601 0.009,602 0.008,603 0.01,604 0.393,605 0.17,606 0.63,607 0.445,608 252.448,609 -0.027,610 -0.419,611 0.087,612 -0.18,613 -0.025,614 -0.05,615 0.046,616 0.151,617 0.044,618 0.097,619 0.124,620 0.066,621 -0.116,622 -0.031,623 -0.085,624 -0.006,625 -0.046,626 -0.034,627 -0.032,628 -0.142,630 -0.08,631 0.035,632 -0.043,633 -0.001,634 0.113,635 0.077,636 0.143,637 -0.02,638 0.131,639 -0.095,640 -0.042,641 -0.003,642 0.003,643 -0.071,644 0.015,645 -0.041,646 0.212,647 -0.223,648 -0.011,649 -0.073,650 -0.118,651 0.169,652 -0.119,653 -0.14,654 -0.316,655 0.101,656 -0.287,657 1.965,658 5.758,659 0.837,660 61.997,661 1,662 1.14,663 3.029,664 9.178,665 0.638,666 3.892,667 4.22,668 4.489,669 4.745,670 5.004,671 5.088,672 5.273,673 5.421,674 5.533,675 5.67,676 10.167,677 0.604,678 587.81,679 3.892,680 5.442,681 6.293,682 7.168,683 8.032,684 8.91,685 9.78,686 10.662,687 11.535,688 12.419,689 10.7,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 84,733 19,734 2,735 48,737 89,738 31,739 15,740 4,741 8,746 6,747 6,751 1,752 2,755 2,758 2,761 16,762 15,766 1,771 1,775 1,781 41,782 12,783 2,784 12,790 9,794 1,795 3,812 6,836 1,839 2,840 6,844 3,848 43,854 10,855 2,856 2,858 2,859 4,870 3.6,873 1,874 2,877 21.167,878 15.733,879 9.333,880 5.182,881 3.409,882 1.382,883 0.977,884 9.479,885 12.33,886 4.078,887 4.6,888 5.101,889 5.642,890 6.189,891 6.447,892 6.882,893 7.245,894 7.532,895 7.888,896 1,897 70,898 15.967,900 6.762,901 7.57,902 31.144,904 25.801,905 2.07,906 89,910 459.073,911 154.718,912 98.875,914 47.145,917 154.718,918 506.218,919 98.875,920 26.047,921 67.025,922 75.81,923 97.501,924 26.281,925 8.074,926 459.073,928 459.073,929 253.594,930 47.145,933 390.774,934 95.772,935 22,937 91.598,938 109.311,939 50.357,941 459.073,942 146.02,943 154.718,946 459.073,947 52.862,948 114.354,949 36.022,950 97.501,951 459.073,952 146.02,953 154.718,955 0.583,956 0.338,957 0.181,958 0.101,959 32,960 14,961 0.067,962 6,964 1,965 5.315,966 440.298,968 36,969 203.329,974 29.883,975 13.64,976 7.32,978 146.02,979 15.578,980 14.634,984 5.321,986 36.022,987 759.811,988 58,993 12.758,997 -0.299,999 84.036,1000 95.756,1001 0.243,1002 0.532,1003 0.704,1004 0.784,1005 0.806,1006 0.81,1007 5.34,1008 2.139,1009 6.271,1010 6.247,1011 4.905,1012 5.288,1013 2.534,1014 7.062,1015 4.781,1016 6.501,1017 1.871,1018 7.816,1019 6.077,1020 4.443,1021 4.966,1022 1.577,1023 7.901,1024 4.262,1025 7.781,1026 1.851,1027 9.458,1028 5.254,1029 6.485,1030 7.328,1031 2.723,1032 10.988,1033 6.235,1034 9.089,1035 1.42,1036 11.157,1037 5.054,1038 6.825,1039 7.792,1040 2.438,1041 12.652,1042 6.511,1043 10.428,1044 1.414,1045 12.893,1046 3.986,1047 8.326,1048 9.661,1049 3.344,1050 15.24,1051 7.948,1052 11.788,1053 1.414,1054 14.655,1055 3.821,1056 9.048,1057 10.507,1058 3.434,1059 17.254,1060 8.598,1061 13.164,1062 1.347,1063 16.436,1064 3.111,1065 10.316,1066 12.152,1067 4.184,1068 19.66,1069 9.804,1070 3.133,1071 1.075,1072 18.231,1073 3.068,1074 11.227,1075 13.209,1076 4.471,1077 21.831,1078 10.638,1079 2.893,1080 10.418,1081 20.037,1082 2.764,1083 12.393,1084 14.735,1085 5.119,1086 24.169,1087 11.74,1088 2.891,1089 9.695,1090 21.852,1091 4.056,1092 13.398,1093 15.917,1094 5.505,1095 26.411,1096 12.667,1097 2.803,1098 9.075,1099 23.674,1100 3.703,1101 14.522,1102 17.378,1103 6.093,1104 28.727,1105 13.723,1106 2.621,1107 8.96,1108 25.502,1109 3.605,1110 15.575,1111 18.637,1112 6.531,1113 31.004,1114 14.698,1115 2.422,1116 7.622,1117 27.335,1118 3.122,1119 16.684,1120 20.06,1121 7.084,1122 33.313,1123 15.735,1124 2.265,1125 6.934,1126 29.172,1127 3.091,1128 17.762,1129 21.367,1130 7.551,1131 35.609,1132 16.734,1133 34450,1134 51965,1135 32.709,1136 53.597,1137 72.105,1138 73.006,1139 73.565,1140 71.451,1141 71.45,1142 85.669,1143 13.646,1144 203.861,1145 67.087,1146 5.415,1147 5.562,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.895,1155 18.826,1156 1.502,1157 1.521,1158 1.533,1159 1.489,1160 1.489,1161 1.785,1162 0.284,1163 4.247,1164 1.398,1165 4.033,1166 4.082,1167 3.986,1168 3.908,1169 7.431,1170 3.917,1171 3.946,1172 3.995,1173 3.889,1174 3.843,1175 5.078,1176 3.846,1177 3.851,1178 3.897,1179 3.781,1180 3.675,1181 4.766,1182 3.697,1183 3.784,1184 3.84,1185 3.672,1186 3.579,1187 4.698,1188 3.592,1189 3.743,1190 3.808,1191 3.631,1192 3.558,1193 4.623,1194 3.565,1195 3.575,1196 3.631,1197 3.502,1198 3.35,1199 4.597,1200 3.383,1201 3.394,1202 3.444,1203 3.335,1204 3.118,1205 4.355,1206 3.167,1207 3.264,1208 3.352,1209 3.037,1210 3.089,1211 4.056,1212 3.065,1213 0.092,1214 0.074,1215 0.137,1216 0.084,1217 0.065,1218 4.415,1219 0.084,1220 3.562,1221 0.035,1222 6.563,1223 0.217,1224 4.053,1225 0.06,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.895,1231 1.937,1232 1.905,1233 2.048,1234 2.089,1235 1.304,1236 2.071,1237 1.915,1238 1.879,1239 2.022,1240 2.066,1241 1.252,1242 2.058,1243 1.787,1244 1.733,1245 1.962,1246 1.977,1247 1.235,1248 1.975,1249 1.73,1250 1.673,1251 1.947,1252 1.962,1253 1.101,1254 1.958,1255 1.708,1256 1.638,1257 1.908,1258 1.901,1259 1.049,1260 1.907,1261 1.468,1262 1.412,1263 1.644,1264 1.718,1265 0.895,1266 1.682,1267 1.293,1268 1.214,1269 1.636,1270 1.559,1271 0.894,1272 1.565,1273 1.291,1274 1.21,1275 1.547,1276 1.52,1277 0.825,1278 1.562,1279 4.575,1281 5.9,1283 7.42,1285 9.023,1287 10.667,1289 6.384,1295 8.096,1296 5.855,1297 11.29,1299 0.319,1300 9.064,1305 50.766,1306 130.431,1307 285.6,1308 378.161,1309 421.18,1310 432.69,1311 434.69,1312 69.581,1313 8.921,1314 111.22,1315 111.22,1316 36,1317 12.954,1318 4.322,1319 3.459,1320 64.205,1321 264,1322 305,1323 0.115,1324 307.636,1325 536.97,1326 742.392,1327 119390,1329 29.761,1330 0.692,1331 0.586,1332 29.761,1333 25.2,1334 20.924,1335 0.436,1336 0.315,1337 14.807,1338 19.863,1339 14.443,1340 11.904,1341 20.924,1342 15.096,1343 18.997,1344 0.284,1345 0.171,1346 18.997,1347 11.487,1348 16.031,1349 0.182,1350 0.094,1351 16.031,1352 8.255,1353 13.412,1354 0.118,1355 0.049,1356 13.412,1357 5.605,1358 11.088,1359 0.075,1360 0.026,1361 11.088,1362 3.808,1363 0.187,1364 132.508,1365 0.175,1366 38.801,1367 0.297,1368 230,1369 641.388,1370 258.453,1371 608.52,1372 843.49,1373 576,1374 270,1375 627.782,1376 299.567,1377 630.895,1378 930.17,1379 593,1380 6.481}
{0 CHEMBL1092036,1 1.526,2 18.4,3 4.028,4 16.228,5 176.865,6 6.843,7 0.36,8 4.593,9 4.732,10 4.097,11 4.041,12 5.58,13 4.025,14 5.192,15 5.4,16 4.463,17 4.451,18 6.144,19 4.411,20 5.456,21 5.687,22 4.539,23 4.659,24 6.339,25 4.582,26 5.575,27 5.838,28 4.501,29 4.696,30 6.457,31 4.583,32 5.561,33 5.839,34 4.468,35 4.643,36 6.478,37 4.533,38 5.417,39 5.678,40 4.445,41 4.568,42 6.286,43 4.483,44 5.332,45 5.546,46 4.474,47 4.621,48 6.265,49 4.542,50 5.507,51 5.73,52 4.448,53 4.751,54 6.402,55 4.609,56 0.035,57 1.39,58 21.11,59 7.471,60 11.987,61 11.258,62 0.705,63 2.208,64 41.505,65 12.425,66 50.941,67 18.947,68 0.658,69 2.732,70 54.186,71 15.871,72 54.301,73 25.32,74 0.676,75 2.889,76 61.688,77 18.566,78 71.982,79 29.507,80 0.888,81 2.76,82 61.765,83 17.324,84 98.04,85 28.366,86 0.587,87 2.523,88 52.671,89 15.237,90 59.593,91 24.588,92 0.735,93 2.529,94 47.12,95 14.846,96 52.103,97 22.989,98 0.427,99 2.775,100 55.294,101 22.034,102 64.876,103 31.497,104 27,105 70,106 0.227,107 0.509,108 0.697,109 0.754,110 0.773,111 0.777,112 3.832,113 0.959,114 -4.63,115 -4.55,116 -4.28,119 36.7,120 2,121 2,124 2,125 8,127 3,142 8,143 1,144 3,149 1,150 2,159 1,172 6,174 7,175 10,178 2,179 1,180 4,183 7,186 2,187 8,192 4,195 4,198 4,199 15,204 5,207 4,211 4,212 10,215 1,217 4,220 4,224 13,227 2,229 1,232 6,236 5,237 4,240 1,242 2,245 12,249 2,250 4,253 5,258 11,263 10,266 1,268 2,271 2,275 4704,276 30.532,277 30.532,278 30.532,279 30.532,280 30.532,281 28.37,282 51.99,283 17.936,284 31.52,285 24.686,286 24.686,287 24.686,288 24.686,289 24.686,290 21.3,291 85.013,292 8.529,293 26.285,294 4.965,295 3.073,296 1.814,297 1.428,298 1.3,299 1.278,300 4.543,306 1823,307 3.808,311 1023.63,318 2.978,319 36.91,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 97.5,331 828,332 4.415,333 3.562,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.895,341 4.16,342 3.349,343 6.384,344 3.865,345 2.916,346 3.704,347 0.86,348 9.695,349 2.77,350 4.09,351 3.198,352 6.162,353 3.813,354 2.893,355 3.605,356 0.86,357 9.109,358 2.695,359 3.958,360 3.146,361 6.12,362 3.77,363 2.804,364 3.123,365 0.8,366 8.96,367 2.66,368 3.864,369 2.899,370 5.889,371 3.647,372 2.69,373 3.091,374 0.8,375 8.078,376 2.571,377 3.743,378 2.851,379 5.563,380 3.53,381 2.579,382 2.972,383 0.8,384 7.613,385 2.447,386 3.625,387 2.535,388 5.329,389 3.325,390 2.371,391 2.717,392 0.8,393 6.92,394 2.257,395 3.399,396 2.463,397 5.202,398 3.09,399 2.148,400 2.556,401 0.247,402 6.242,403 2.018,404 3.268,405 2.315,406 4.891,407 2.881,408 1.895,409 2.412,411 5.254,412 1.853,413 3.045,414 2.264,415 4.677,416 2.765,417 1.851,418 2.139,420 5.092,421 1.691,422 2.79,423 1.89,424 4.387,425 2.543,426 1.583,427 1.868,428 4.237,429 1.514,430 2.751,431 1.788,432 4.283,433 2.345,434 1.414,435 1.805,436 3.861,437 1.316,438 2.5,439 1.752,440 3.911,441 2.328,442 1.414,443 1.5,445 3.111,446 1.282,447 2.5,448 1.539,449 3.832,450 2.284,451 1.361,452 1.5,454 3.068,455 1.243,456 2.414,457 1.322,458 3.725,459 2.05,460 1.105,461 1.414,463 2.766,464 1.041,465 21.1,466 0.469,467 1.095,468 0.024,469 53.75,470 1.194,471 22,472 0.489,473 31.75,474 0.706,475 48.464,476 1.077,477 50.9,478 0.566,479 46.691,480 1.038,481 10.259,482 0.228,483 11.575,484 0.257,485 0.111,487 0.336,493 0.892,494 1.725,495 0.855,496 1.341,497 0.692,498 1.123,499 1.145,500 1.018,501 0.954,502 0.914,503 0.66,504 0.908,505 1.142,506 1.183,507 1.066,508 1.033,509 0.9,510 1.03,511 0.918,512 1.108,513 0.995,514 1.052,515 0.852,516 1.032,517 0.909,518 0.954,519 0.929,520 0.876,521 1.242,522 0.889,523 0.984,524 1.013,525 0.896,526 0.879,527 1.053,528 0.863,529 0.947,530 0.976,531 1.156,532 1.023,533 0.783,534 1.086,535 0.529,536 1.213,537 1.098,538 1.464,539 0.675,540 1.39,541 9,542 0.215,543 5.333,544 2.813,545 1.844,546 1.972,547 1.336,548 0.641,549 0.479,550 0.504,551 42762,552 92870,553 2.12,554 50,556 33,559 2,561 6,562 4,564 1.823,565 2,566 4.048,567 0.137,573 137.384,574 1.526,575 3.419,576 4.678,577 5.064,578 5.192,579 5.214,580 3.494,581 4.781,582 5.461,583 4.348,584 4304.46,585 9.652,586 86984,591 584.267,592 1.352,593 5.431,594 0.18,595 0.005,596 0.076,597 0.038,598 0.027,599 0.029,600 0.02,601 0.009,602 0.007,603 0.011,604 0.403,605 0.17,606 0.63,607 0.596,608 268.732,609 -0.016,610 -0.398,611 0.087,612 -0.169,613 -0.022,614 -0.047,615 0.064,616 0.15,617 0.056,618 0.097,619 0.138,620 0.07,621 -0.113,622 -0.074,623 -0.076,624 -0.024,625 -0.036,626 -0.041,627 -0.03,628 -0.082,629 -0.016,630 -0.061,631 0.033,632 -0.041,633 0.033,634 0.043,635 0.065,636 0.075,637 -0.002,638 0.078,639 -0.059,640 0.031,641 0.091,642 0.1,643 -0.026,644 0.119,645 -0.03,646 0.218,647 -0.185,648 0.016,649 -0.049,650 -0.082,651 0.135,652 -0.146,653 -0.176,654 -0.33,655 0.081,656 -0.307,657 1.963,658 5.823,659 0.8,660 69.079,661 0.998,662 1.14,663 3.403,664 11.579,665 0.635,666 3.932,667 4.263,668 4.533,669 4.779,670 5.03,671 5.136,672 5.333,673 5.455,674 5.565,675 5.724,676 10.774,677 0.598,678 615.87,679 3.932,680 5.485,681 6.337,682 7.212,683 8.076,684 8.955,685 9.825,686 10.707,687 11.581,688 12.464,689 10,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 90,733 19,734 2,735 50,737 95,738 33,739 15,740 4,741 8,746 6,747 6,751 1,752 2,755 5,758 5,761 16,762 17,766 1,771 1,775 1,781 45,782 12,783 2,784 12,790 9,794 1,795 3,812 6,836 1,839 2,840 6,844 4,848 45,854 10,855 2,856 2,858 3,859 4,870 3.3,873 1,874 2,877 22.5,878 17.067,879 9.778,880 5.582,881 3.436,882 1.379,883 0.967,884 10.249,885 12.505,886 4.111,887 4.63,888 5.125,889 5.656,890 6.197,891 6.46,892 6.898,893 7.258,894 7.546,895 7.913,896 0.917,897 74,898 16.719,900 7.061,901 7.552,902 32.717,904 27.173,905 2.052,906 92.333,910 506.157,911 163.972,912 98.875,914 47.145,917 163.972,918 553.302,919 98.875,920 34.443,921 67.883,922 75.81,923 97.501,924 26.281,925 8.074,926 506.157,928 506.157,929 262.848,930 47.145,933 390.774,934 142.856,935 22,937 92.456,938 117.707,939 50.357,941 506.157,942 146.02,943 163.972,946 506.157,947 53.719,948 122.75,949 36.022,950 97.501,951 506.157,952 146.02,953 163.972,955 0.585,956 0.34,957 0.179,958 0.097,959 33,960 15,961 0.074,962 7,964 1,965 5.455,966 465.147,968 36,969 215.133,974 31.799,975 14.504,976 7.802,978 146.02,979 15.657,980 14.656,984 5.341,986 36.022,987 816.15,988 60,993 12.823,997 -0.297,999 89.803,1000 102.587,1001 0.235,1002 0.527,1003 0.721,1004 0.78,1005 0.8,1006 0.803,1007 5.378,1008 2.148,1009 6.319,1010 6.92,1011 4.949,1012 5.318,1013 2.534,1014 7.116,1015 4.83,1016 6.539,1017 1.895,1018 7.871,1019 6.242,1020 4.511,1021 5.007,1022 1.577,1023 7.974,1024 4.335,1025 7.82,1026 1.851,1027 9.519,1028 5.254,1029 6.535,1030 7.35,1031 2.723,1032 11.053,1033 6.296,1034 9.129,1035 1.583,1036 11.224,1037 5.092,1038 6.899,1039 7.821,1040 2.438,1041 12.723,1042 6.594,1043 10.469,1044 1.414,1045 12.965,1046 4.237,1047 8.387,1048 9.677,1049 3.344,1050 15.302,1051 8.023,1052 11.829,1053 1.414,1054 14.731,1055 3.861,1056 9.122,1057 10.525,1058 3.434,1059 17.314,1060 8.685,1061 13.204,1062 1.361,1063 16.515,1064 3.111,1065 10.383,1066 12.163,1067 4.184,1068 19.712,1069 9.888,1070 3.133,1071 1.105,1072 18.312,1073 3.068,1074 11.3,1075 13.219,1076 4.471,1077 21.877,1078 10.728,1079 2.916,1080 10.418,1081 20.118,1082 2.766,1083 12.461,1084 14.742,1085 5.119,1086 24.209,1087 11.828,1088 2.893,1089 9.695,1090 21.933,1091 4.056,1092 13.468,1093 15.923,1094 5.505,1095 26.446,1096 12.757,1097 2.804,1098 9.109,1099 23.753,1100 3.704,1101 14.588,1102 17.382,1103 6.093,1104 28.756,1105 13.811,1106 2.69,1107 8.96,1108 25.579,1109 3.605,1110 15.64,1111 18.64,1112 6.531,1113 31.029,1114 14.785,1115 2.579,1116 8.078,1117 27.41,1118 3.123,1119 16.745,1120 20.063,1121 7.084,1122 33.335,1123 15.821,1124 2.371,1125 7.613,1126 29.244,1127 3.091,1128 17.822,1129 21.369,1130 7.551,1131 35.627,1132 16.819,1133 39564,1134 58653,1135 33.808,1136 57.12,1137 75.356,1138 76.292,1139 77.027,1140 74.751,1141 74.746,1142 88.967,1143 13.646,1144 213.909,1145 70.38,1146 5.415,1147 5.562,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.895,1155 21.991,1156 1.507,1157 1.526,1158 1.541,1159 1.495,1160 1.495,1161 1.779,1162 0.273,1163 4.278,1164 1.408,1165 4.037,1166 4.086,1167 3.988,1168 3.913,1169 7.431,1170 3.921,1171 3.953,1172 4.002,1173 3.893,1174 3.848,1175 5.078,1176 3.852,1177 3.854,1178 3.901,1179 3.782,1180 3.68,1181 4.766,1182 3.699,1183 3.788,1184 3.843,1185 3.682,1186 3.649,1187 4.698,1188 3.65,1189 3.784,1190 3.84,1191 3.672,1192 3.579,1193 4.623,1194 3.592,1195 3.577,1196 3.635,1197 3.506,1198 3.351,1199 4.597,1200 3.384,1201 3.454,1202 3.542,1203 3.36,1204 3.198,1205 4.382,1206 3.218,1207 3.357,1208 3.412,1209 3.226,1210 3.097,1211 4.123,1212 3.125,1213 0.088,1214 0.071,1215 0.131,1216 0.081,1217 0.063,1218 4.415,1219 0.081,1220 3.562,1221 0.033,1222 6.563,1223 0.208,1224 4.053,1225 0.058,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.895,1231 1.941,1232 1.907,1233 2.077,1234 2.09,1235 1.418,1236 2.083,1237 1.923,1238 1.887,1239 2.023,1240 2.075,1241 1.252,1242 2.062,1243 1.79,1244 1.734,1245 1.964,1246 1.981,1247 1.235,1248 1.979,1249 1.775,1250 1.721,1251 1.947,1252 1.962,1253 1.102,1254 1.958,1255 1.73,1256 1.673,1257 1.946,1258 1.926,1259 1.074,1260 1.935,1261 1.469,1262 1.413,1263 1.718,1264 1.725,1265 0.895,1266 1.704,1267 1.404,1268 1.309,1269 1.644,1270 1.676,1271 0.894,1272 1.675,1273 1.293,1274 1.21,1275 1.636,1276 1.532,1277 0.825,1278 1.565,1279 4.615,1281 5.943,1283 7.465,1285 9.068,1287 10.713,1289 8.546,1295 8.37,1296 5.883,1297 11.303,1299 0.96,1300 9.091,1305 53.819,1306 137.384,1307 307.722,1308 420.983,1309 455.737,1310 467.247,1311 469.247,1312 77.026,1313 9.07,1314 111.22,1315 111.22,1316 36,1317 13,1318 4.322,1319 3.459,1320 68.876,1321 296,1322 318,1323 0.111,1324 326.821,1325 571.57,1326 789.203,1327 145002,1329 31.338,1330 0.696,1331 0.595,1332 31.338,1333 26.777,1334 21.835,1335 0.437,1336 0.32,1337 15.694,1338 20.77,1339 15.26,1340 12.618,1341 21.835,1342 15.986,1343 19.896,1344 0.284,1345 0.177,1346 19.896,1347 12.379,1348 16.73,1349 0.182,1350 0.097,1351 16.73,1352 8.947,1353 13.938,1354 0.118,1355 0.052,1356 13.938,1357 6.181,1358 11.292,1359 0.074,1360 0.027,1361 11.292,1362 4.079,1363 0.182,1364 138.02,1365 0.172,1366 40.34,1367 0.284,1368 240,1369 651.388,1370 268.453,1371 619.548,1372 858.87,1373 586,1374 282,1375 639.782,1376 311.511,1377 644.765,1378 948.59,1379 605,1380 6.542}
{0 CHEMBL1092037,1 1.576,2 17.571,3 3.878,4 15.037,5 161.468,6 7.034,7 0.391,8 4.503,9 4.635,10 4.023,11 3.932,12 5.536,13 3.928,14 5.082,15 5.282,16 4.369,17 4.31,18 6.092,19 4.287,20 5.306,21 5.523,22 4.424,23 4.488,24 6.26,25 4.428,26 5.405,27 5.662,28 4.395,29 4.493,30 6.346,31 4.408,32 5.353,33 5.61,34 4.394,35 4.444,36 6.368,37 4.383,38 5.22,39 5.437,40 4.408,41 4.461,42 6.19,43 4.407,44 5.289,45 5.494,46 4.429,47 4.585,48 6.266,49 4.503,50 5.477,51 5.71,52 4.363,53 4.693,54 6.349,55 4.54,56 0.044,57 1.241,58 18.651,59 6.728,60 11.441,61 9.856,62 0.731,63 1.909,64 36.939,65 10.965,66 52.515,67 16.159,68 0.734,69 2.288,70 46.485,71 13.402,72 56.452,73 20.788,74 0.666,75 2.384,76 52.374,77 14.839,78 71.925,79 23.684,80 1.006,81 2.273,82 50.545,83 12.587,84 97.141,85 20.845,86 0.501,87 2.221,88 41.79,89 12.576,90 49.369,91 19.573,92 0.798,93 2.411,94 44.211,95 14.491,96 60.164,97 21.927,98 0.475,99 2.607,100 53.614,101 21.798,102 67.827,103 30.885,104 30,105 63,106 0.239,107 0.532,108 0.699,109 0.767,110 0.778,111 0.782,112 3.764,113 0.937,114 -4.07,115 -4.02,116 -3.8,119 36.6,120 2,124 2,125 8,127 2,142 8,143 1,144 3,149 1,150 2,159 1,172 6,174 7,175 6,178 2,179 1,180 4,183 6,186 3,187 8,192 4,195 4,198 3,199 15,204 5,211 4,212 12,215 1,217 4,224 13,227 2,229 1,232 6,236 5,237 2,240 1,245 12,249 2,250 4,253 6,258 11,263 8,271 2,275 4136,276 28.377,277 28.377,278 28.377,279 28.377,280 28.377,281 26.191,282 44.353,283 16.956,284 29.401,285 22.747,286 22.747,287 22.747,288 22.747,289 22.747,290 19.331,291 67.264,292 8.128,293 24.388,294 4.782,295 2.858,296 1.753,297 1.305,298 1.232,299 1.208,300 4.469,306 1598,307 4.062,311 782.109,318 2.898,319 38.165,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 92,331 738,332 4.415,333 3.562,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.895,341 4.107,342 3.349,343 6.384,344 3.813,345 2.893,346 3.655,347 0.86,348 9.695,349 2.699,350 4.051,351 3.198,352 6.12,353 3.773,354 2.808,355 3.601,356 0.86,357 8.96,358 2.66,359 3.958,360 2.913,361 5.601,362 3.668,363 2.706,364 3.1,365 0.86,366 7.724,367 2.6,368 3.806,369 2.85,370 5.423,371 3.471,372 2.517,373 3.091,374 0.8,375 7.201,376 2.396,377 3.58,378 2.579,379 5.228,380 3.234,381 2.298,382 2.859,383 0.8,384 6.551,385 2.148,386 3.371,387 2.514,388 5.163,389 3.117,390 2.192,391 2.528,392 0.8,393 6.225,394 2.02,395 3.251,396 2.392,397 4.891,398 3.048,399 2.113,400 2.397,401 0.247,402 5.254,403 1.969,404 3.189,405 2.31,406 4.656,407 2.805,408 1.851,409 2.21,411 5.162,412 1.775,413 3.045,414 2.264,415 4.617,416 2.765,417 1.82,418 2.139,420 4.937,421 1.691,422 2.76,423 1.89,424 4.29,425 2.345,426 1.414,427 1.858,428 3.874,429 1.317,430 2.5,431 1.752,432 3.911,433 2.328,434 1.414,435 1.5,436 3.111,437 1.282,438 2.5,439 1.539,440 3.832,441 2.284,442 1.363,443 1.5,445 3.068,446 1.243,447 2.414,448 1.508,449 3.585,450 2,451 1.09,452 1.414,454 2.765,455 1,456 2.414,457 1.278,458 3.575,459 2,460 1.071,461 1.414,463 2.593,464 1,465 19.533,466 0.465,467 0.993,468 0.024,469 51.5,470 1.226,471 22,472 0.524,473 29.5,474 0.702,475 41.779,476 0.995,477 47.667,478 0.581,479 44.931,480 1.07,481 10.199,482 0.243,483 10.152,484 0.242,485 0.119,487 0.317,493 0.895,494 1.727,495 0.831,496 1.364,497 0.713,498 1.12,499 1.188,500 0.953,501 0.943,502 0.887,503 0.719,504 0.877,505 1.199,506 1.189,507 1.079,508 1.04,509 1.003,510 1.035,511 0.966,512 1.138,513 0.926,514 1.007,515 0.896,516 0.961,517 1.163,518 0.909,519 0.973,520 0.741,521 1.439,522 0.795,523 1.005,524 1.168,525 0.989,526 1.011,527 1.146,528 0.984,529 0.79,530 1.013,531 1.186,532 1.098,533 0.698,534 1.171,535 0.407,536 1.154,537 1.037,538 1.447,539 0.528,540 1.38,541 8.5,542 0.198,543 4.222,544 2.438,545 1.662,546 1.743,547 1.236,548 0.575,549 0.467,550 0.417,551 33592,552 81292,553 2.088,554 48.8,556 32,559 2,561 6,564 1.808,565 1.969,566 3.97,567 0.173,573 129.235,574 1.576,575 3.5,576 4.605,577 5.052,578 5.126,579 5.15,580 3.463,581 4.726,582 5.356,583 4.267,584 3674.06,585 9.457,586 69998.9,591 521.319,592 1.351,593 5.33,594 0.185,595 0.005,596 0.067,597 0.038,598 0.027,599 0.028,600 0.019,601 0.009,602 0.008,603 0.01,604 0.394,605 0.33,606 0.63,607 1.007,608 245.314,609 -0.035,610 -0.41,611 0.08,612 -0.196,613 -0.044,614 -0.06,615 0.025,616 0.194,617 0.058,618 0.113,619 0.115,620 0.085,621 -0.112,622 -0.091,623 -0.092,624 -0.035,625 -0.073,626 -0.058,627 -0.04,628 -0.126,629 0.058,630 -0.035,631 0.04,632 0.019,633 -0.061,634 0.13,635 0.042,636 0.178,637 -0.069,638 0.14,639 -0.117,640 -0.02,641 -0.029,642 0.012,643 -0.09,644 0.01,645 0.007,646 0.189,647 -0.252,648 -0.04,649 -0.023,650 -0.159,651 0.164,652 -0.124,653 -0.136,654 -0.313,655 0.097,656 -0.289,657 2.003,658 5.646,659 0.714,660 63.138,661 1.003,662 1.14,663 2.839,664 8.061,665 0.635,666 3.85,667 4.159,668 4.394,669 4.644,670 4.89,671 4.984,672 5.176,673 5.328,674 5.442,675 5.576,676 10.158,677 0.603,678 576.78,679 3.85,680 5.389,681 6.225,682 7.091,683 7.943,684 8.816,685 9.678,686 10.556,687 11.425,688 12.306,689 9.8,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,729 1,731 82,733 19,734 2,735 46,737 86,738 30,739 15,740 4,741 8,746 5,747 5,751 1,752 2,755 2,758 2,761 16,762 14,766 1,771 1,775 1,781 40,782 12,783 2,784 12,790 8,794 1,795 4,812 5,836 1,839 2,840 5,844 4,848 42,854 8,855 2,856 3,858 2,859 3,870 4.9,873 1,874 2,875 1,877 21.333,878 15.7,879 9.222,880 4.907,881 3.324,882 1.387,883 0.954,884 10.34,885 11.92,886 4.043,887 4.559,888 5.045,889 5.59,890 6.138,891 6.385,892 6.818,893 7.185,894 7.479,895 7.84,896 1,897 65,898 15.565,900 6.476,901 7.631,902 30.046,904 24.205,905 2.131,906 89.5,910 447.302,911 163.877,912 95.751,914 58.145,917 163.877,918 505.446,919 95.751,920 34.443,921 65.301,922 75.81,923 97.501,924 36.643,925 8.074,926 447.302,928 447.302,929 259.628,930 58.145,933 379.003,934 106.771,935 22,937 89.873,938 117.07,939 50.357,941 447.302,942 153.896,943 163.877,946 447.302,947 53.623,948 119.626,949 36.022,950 108.501,951 447.302,952 153.896,953 163.877,955 0.577,956 0.324,957 0.172,958 0.094,959 28,960 13,961 0.105,962 9,964 1,965 5.211,966 414.452,968 30,969 198.477,974 30.294,975 14.336,976 8.234,978 153.896,979 14.804,980 14.587,984 4.769,986 36.022,987 765.074,988 56,993 12.646,997 -0.337,999 82.261,1000 93.467,1001 0.248,1002 0.551,1003 0.724,1004 0.795,1005 0.806,1006 0.81,1007 5.291,1008 2.113,1009 6.196,1010 6.225,1011 4.844,1012 5.247,1013 2.574,1014 6.969,1015 4.713,1016 6.452,1017 1.851,1018 7.73,1019 5.254,1020 4.369,1021 4.924,1022 1.494,1023 7.781,1024 4.189,1025 7.727,1026 1.82,1027 9.36,1028 5.162,1029 6.402,1030 7.29,1031 2.763,1032 10.864,1033 6.144,1034 9.031,1035 1.414,1036 11.048,1037 4.937,1038 6.723,1039 7.745,1040 2.41,1041 12.512,1042 6.407,1043 10.366,1044 1.414,1045 12.775,1046 3.874,1047 8.222,1048 9.625,1049 3.363,1050 15.103,1051 7.837,1052 11.722,1053 1.363,1054 14.529,1055 3.111,1056 8.927,1057 10.46,1058 3.427,1059 17.115,1060 8.474,1061 13.095,1062 1.09,1063 16.304,1064 3.068,1065 10.195,1066 12.115,1067 4.191,1068 19.527,1069 9.676,1070 3.133,1071 1.071,1072 18.094,1073 2.765,1074 11.097,1075 13.164,1076 4.469,1077 21.702,1078 10.501,1079 2.893,1080 10.418,1081 19.897,1082 2.593,1083 12.263,1084 14.697,1085 5.121,1086 24.048,1087 11.601,1088 2.808,1089 9.695,1090 21.71,1091 4.056,1092 13.264,1093 15.875,1094 5.505,1095 26.298,1096 12.522,1097 2.706,1098 8.96,1099 23.531,1100 3.655,1101 14.389,1102 17.34,1103 6.094,1104 28.622,1105 13.577,1106 2.517,1107 7.724,1108 25.359,1109 3.601,1110 15.442,1111 18.596,1112 6.531,1113 30.907,1114 14.548,1115 2.298,1116 7.201,1117 27.193,1118 3.1,1119 16.552,1120 20.023,1121 7.084,1122 33.225,1123 15.585,1124 2.192,1125 6.551,1126 29.031,1127 3.091,1128 17.632,1129 21.328,1130 7.551,1131 35.528,1132 16.583,1133 31826,1134 49734,1135 30.917,1136 52.046,1137 68.49,1138 69.566,1139 69.771,1140 67.786,1141 67.799,1142 82.016,1143 13.766,1144 189.86,1145 63.394,1146 5.415,1147 5.562,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.895,1155 21.102,1156 1.489,1157 1.512,1158 1.517,1159 1.474,1160 1.474,1161 1.783,1162 0.299,1163 4.127,1164 1.378,1165 4.024,1166 4.072,1167 3.982,1168 3.9,1169 7.431,1170 3.91,1171 3.912,1172 3.946,1173 3.859,1174 3.819,1175 5.078,1176 3.822,1177 3.848,1178 3.89,1179 3.777,1180 3.674,1181 4.857,1182 3.696,1183 3.784,1184 3.84,1185 3.672,1186 3.579,1187 4.702,1188 3.592,1189 3.661,1190 3.745,1191 3.521,1192 3.432,1193 4.623,1194 3.44,1195 3.576,1196 3.631,1197 3.501,1198 3.35,1199 4.598,1200 3.383,1201 3.4,1202 3.445,1203 3.342,1204 3.12,1205 4.413,1206 3.17,1207 3.264,1208 3.352,1209 3.037,1210 3.089,1211 4.222,1212 3.065,1213 0.096,1214 0.077,1215 0.143,1216 0.088,1217 0.068,1218 4.415,1219 0.088,1220 3.562,1221 0.036,1222 6.563,1223 0.226,1224 4.053,1225 0.063,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.895,1231 1.934,1232 1.903,1233 2.025,1234 2.088,1235 1.252,1236 2.065,1237 1.881,1238 1.856,1239 1.99,1240 2.014,1241 1.235,1242 2.006,1243 1.787,1244 1.732,1245 1.961,1246 1.962,1247 1.115,1248 1.965,1249 1.73,1250 1.673,1251 1.947,1252 1.962,1253 1.1,1254 1.958,1255 1.613,1256 1.531,1257 1.873,1258 1.868,1259 1.04,1260 1.876,1261 1.469,1262 1.413,1263 1.644,1264 1.72,1265 0.895,1266 1.682,1267 1.293,1268 1.218,1269 1.636,1270 1.567,1271 0.894,1272 1.565,1273 1.291,1274 1.21,1275 1.562,1276 1.52,1277 0.696,1278 1.563,1279 4.533,1281 5.844,1283 7.343,1285 8.928,1287 10.558,1289 8.224,1295 5.374,1296 5.74,1297 16.982,1299 0.307,1300 6.404,1305 49.459,1306 129.235,1307 286.993,1308 377.571,1309 414.3,1310 420.3,1311 422.3,1312 75.289,1313 8.596,1314 117.21,1315 117.21,1316 30,1317 12.844,1318 4.322,1319 3.459,1320 69.263,1321 254,1322 312,1323 0.129,1324 302.639,1325 529.82,1326 730.199,1327 77882,1329 29.476,1330 0.702,1331 0.589,1332 29.476,1333 24.747,1334 20.351,1335 0.442,1336 0.312,1337 14.066,1338 19.248,1339 13.663,1340 11.334,1341 20.351,1342 14.364,1343 18.407,1344 0.292,1345 0.172,1346 18.407,1347 10.826,1348 14.773,1349 0.185,1350 0.09,1351 14.773,1352 7.181,1353 12.33,1354 0.12,1355 0.046,1356 12.33,1357 4.765,1358 9.981,1359 0.076,1360 0.023,1361 9.981,1362 3.08,1363 0.21,1364 129.491,1365 0.18,1366 38.141,1367 0.333,1368 218,1369 653.479,1370 247.248,1371 613.893,1372 841.57,1373 580,1374 252,1375 617.068,1376 281.725,1377 619.752,1378 908.62,1379 580,1380 6.503}
{0 CHEMBL1092038,1 1.587,2 18.356,3 3.127,4 9.776,5 171.41,6 7.161,7 0.36,8 4.558,9 4.69,10 4.097,11 4.004,12 5.589,13 4.001,14 5.149,15 5.348,16 4.465,17 4.408,18 6.163,19 4.383,20 5.403,21 5.625,22 4.542,23 4.603,24 6.371,25 4.544,26 5.505,27 5.754,28 4.504,29 4.601,30 6.51,31 4.52,32 5.441,33 5.697,34 4.481,35 4.538,36 6.487,37 4.476,38 5.295,39 5.51,40 4.474,41 4.547,42 6.288,43 4.483,44 5.374,45 5.593,46 4.469,47 4.626,48 6.329,49 4.544,50 5.48,51 5.703,52 4.442,53 4.707,54 6.461,55 4.569,56 0.053,57 1.341,58 19.084,59 7.019,60 10.715,61 10.228,62 0.778,63 2.12,64 38.596,65 11.627,66 51.675,67 17.231,68 0.725,69 2.582,70 50.405,71 14.959,72 58.113,73 23.011,74 0.791,75 2.655,76 57.659,77 16.584,78 94.734,79 25.809,80 1.092,81 2.498,82 54.951,83 14.009,84 115.062,85 22.729,86 0.556,87 2.403,88 44.31,89 14.279,90 57.057,91 21.553,92 0.777,93 2.547,94 48.367,95 15.446,96 63.518,97 23.289,98 0.689,99 2.671,100 53.281,101 21.223,102 101.263,103 30.134,104 26,105 70,106 0.238,107 0.523,108 0.689,109 0.757,110 0.771,111 0.781,112 3.832,113 0.933,114 -4.07,115 -4.02,116 -3.8,119 37.2,120 2,124 1,125 10,127 2,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 6,178 2,179 1,180 4,183 8,186 3,187 10,192 4,195 4,198 3,199 19,204 6,211 5,212 11,217 4,224 14,227 4,229 2,232 6,236 4,237 4,245 12,249 4,250 4,253 7,258 13,263 6,266 1,271 4,275 4654,276 30.532,277 30.532,278 30.532,279 30.532,280 30.532,281 28.279,282 46.359,283 17.943,284 31.508,285 24.675,286 24.675,287 24.675,288 24.675,289 24.675,290 21.081,291 70.319,292 8.557,293 26.222,294 4.839,295 2.937,296 1.829,297 1.375,298 1.282,299 1.212,300 4.543,306 1821,307 3.808,311 1027.59,318 2.938,319 45.949,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 98.5,331 826,332 4.415,333 3.695,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.928,341 4.267,342 3.562,343 6.393,344 3.965,345 2.984,346 3.802,347 1.2,348 9.695,349 2.894,350 4.095,351 3.349,352 6.384,353 3.813,354 2.893,355 3.607,356 0.86,357 9.676,358 2.696,359 3.958,360 3.198,361 6.12,362 3.771,363 2.805,364 3.222,365 0.86,366 8.96,367 2.66,368 3.91,369 2.851,370 5.579,371 3.605,372 2.646,373 3.091,374 0.8,375 7.656,376 2.53,377 3.741,378 2.773,379 5.388,380 3.425,381 2.472,382 3.053,383 0.8,384 7.04,385 2.353,386 3.502,387 2.577,388 5.242,389 3.284,390 2.336,391 2.655,392 0.8,393 6.506,394 2.207,395 3.386,396 2.494,397 5.191,398 3.096,399 2.153,400 2.488,401 0.293,402 6.235,403 2.024,404 3.278,405 2.317,406 4.916,407 2.933,408 1.975,409 2.404,410 0.247,411 5.616,412 1.887,413 3.045,414 2.264,415 4.891,416 2.765,417 1.851,418 2.139,420 5.254,421 1.7,422 3.035,423 2.157,424 4.631,425 2.738,426 1.766,427 2.111,428 4.928,429 1.691,430 2.759,431 1.89,432 4.29,433 2.345,434 1.414,435 1.857,436 3.875,437 1.317,438 2.5,439 1.863,440 3.911,441 2.328,442 1.414,443 1.5,445 3.111,446 1.282,447 2.5,448 1.752,449 3.832,450 2.285,451 1.362,452 1.5,454 3.068,455 1.243,456 2.414,457 1.539,458 3.676,459 2,460 1.076,461 1.414,463 2.765,464 1,465 20.933,466 0.465,467 1.095,468 0.024,469 55,470 1.222,471 23,472 0.511,473 32,474 0.711,475 46.026,476 1.023,477 50.467,478 0.587,479 49.505,480 1.1,481 10.776,482 0.239,483 11.059,484 0.246,485 0.104,487 0.339,493 0.841,494 1.717,495 0.806,496 1.323,497 0.607,498 1.09,499 1.049,500 0.986,501 0.928,502 0.89,503 0.609,504 0.887,505 1.083,506 1.159,507 1.034,508 1.036,509 0.856,510 1.019,511 1.089,512 1.141,513 0.988,514 1.033,515 1.21,516 0.998,517 1.169,518 0.878,519 0.978,520 0.74,521 1.489,522 0.796,523 0.886,524 1.167,525 0.997,526 1.092,527 0.902,528 1.059,529 0.942,530 0.99,531 1.14,532 1.036,533 0.88,534 1.093,535 0.398,536 1.134,537 1.047,538 1.42,539 0.411,540 1.37,541 9,542 0.227,543 5.333,544 3.063,545 2.084,546 1.847,547 1.295,548 0.689,549 0.45,550 0.498,551 42602,552 102387,553 2.12,554 47.7,556 33,559 2,561 6,564 1.823,565 2,566 4.047,567 0.159,573 136.47,574 1.587,575 3.489,576 4.597,577 5.051,578 5.144,579 5.214,580 3.48,581 4.825,582 5.462,583 4.329,584 4286.02,585 9.655,586 86335.7,591 552.659,592 1.352,593 5.431,594 0.18,595 0.005,596 0.076,597 0.041,598 0.03,599 0.027,600 0.018,601 0.01,602 0.007,603 0.011,604 0.406,605 0.33,606 0.63,607 0.474,608 268.414,609 -0.037,610 -0.407,611 0.08,612 -0.175,613 -0.027,614 -0.049,615 0.058,616 0.178,617 0.049,618 0.107,619 0.09,620 0.073,621 -0.1,622 -0.062,623 -0.064,624 -0.034,625 -0.018,626 -0.039,627 -0.083,628 -0.138,629 0.003,630 -0.057,631 -0.033,632 -0.02,633 -0.074,634 0.147,635 0.036,636 0.184,637 -0.106,638 0.143,639 -0.045,640 -0.039,641 -0.054,642 -0.056,643 -0.038,644 -0.056,645 -0.09,646 0.139,647 -0.195,648 -0.007,649 -0.097,650 -0.096,651 0.244,652 -0.096,653 -0.137,654 -0.304,655 0.219,656 -0.295,657 2.048,658 5.819,659 0.8,660 67.943,661 1.004,662 1.139,663 2.84,664 8.064,665 0.64,666 3.932,667 4.263,668 4.533,669 4.779,670 5.03,671 5.112,672 5.293,673 5.438,674 5.533,675 5.684,676 10.67,677 0.61,678 615.82,679 3.932,680 5.485,681 6.337,682 7.212,683 8.076,684 8.955,685 9.825,686 10.707,687 11.581,688 12.464,689 10.5,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 86,733 20,734 2,735 50,737 91,738 32,739 15,740 4,741 8,742 1,746 6,747 6,751 1,752 2,755 2,758 2,761 17,762 15,766 2,771 2,775 2,781 41,782 13,783 2,784 13,790 9,794 1,795 4,812 6,836 1,839 2,840 6,844 3,848 45,854 10,855 2,856 2,858 2,859 4,870 4.7,873 2,874 2,877 22.5,878 16.15,879 9.778,880 5.286,881 3.464,882 1.385,883 0.973,884 10.001,885 12.464,886 4.127,887 4.649,888 5.155,889 5.679,890 6.215,891 6.483,892 6.907,893 7.261,894 7.529,895 7.897,896 0.917,897 74,898 16.742,900 7.146,901 7.67,902 32.297,904 26.694,905 2.17,906 97.667,910 459.073,911 159.852,912 98.875,914 72.29,917 159.852,918 531.363,919 98.875,920 26.047,921 70.15,922 75.81,923 127.351,924 23.586,925 8.074,926 459.073,928 459.073,929 258.727,930 72.29,933 390.774,934 120.916,935 22,937 94.722,938 111.32,939 50.357,941 459.073,942 171.165,943 159.852,946 459.073,947 57.995,948 114.354,949 36.022,950 122.646,951 459.073,952 171.165,953 159.852,955 0.585,956 0.341,957 0.18,958 0.099,959 33,960 15,961 0.066,962 6,964 1,965 5.445,966 465.972,968 36,969 217.133,974 31.487,975 14.293,976 7.667,978 171.165,979 14.412,980 14.592,984 4.458,986 36.022,987 790.09,988 61,993 25.587,997 -0.372,999 86.363,1000 97.966,1001 0.247,1002 0.543,1003 0.715,1004 0.786,1005 0.8,1006 0.811,1007 5.391,1008 2.153,1009 6.319,1010 6.506,1011 4.949,1012 5.338,1013 2.675,1014 7.116,1015 4.836,1016 6.558,1017 1.975,1018 7.871,1019 6.235,1020 4.511,1021 5.047,1022 1.577,1023 7.97,1024 4.357,1025 7.842,1026 1.851,1027 9.519,1028 5.616,1029 6.535,1030 7.383,1031 2.906,1032 11.059,1033 6.313,1034 9.155,1035 1.766,1036 11.224,1037 5.254,1038 6.899,1039 7.88,1040 2.49,1041 12.731,1042 6.634,1043 10.499,1044 1.414,1045 12.967,1046 4.928,1047 8.387,1048 9.724,1049 3.489,1050 15.327,1051 8.058,1052 11.864,1053 1.414,1054 14.734,1055 3.875,1056 9.125,1057 10.597,1058 3.482,1059 17.346,1060 8.749,1061 13.245,1062 1.362,1063 16.521,1064 3.111,1065 10.388,1066 12.224,1067 4.274,1068 19.761,1069 9.953,1070 3.133,1071 1.076,1072 18.322,1073 3.068,1074 11.311,1075 13.301,1076 4.502,1077 21.935,1078 10.823,1079 2.984,1080 10.418,1081 20.133,1082 2.765,1083 12.476,1084 14.815,1085 5.169,1086 24.281,1087 11.932,1088 2.893,1089 9.695,1090 21.954,1091 4.056,1092 13.489,1093 16.011,1094 5.524,1095 26.525,1096 12.89,1097 2.805,1098 9.676,1099 23.781,1100 3.802,1101 14.614,1102 17.463,1103 6.119,1104 28.845,1105 13.959,1106 2.646,1107 8.96,1108 25.614,1109 3.607,1110 15.673,1111 18.731,1112 6.542,1113 31.123,1114 14.962,1115 2.472,1116 7.656,1117 27.452,1118 3.222,1119 16.783,1120 20.15,1121 7.097,1122 33.435,1123 16.016,1124 2.336,1125 7.04,1126 29.294,1127 3.091,1128 17.866,1129 21.461,1130 7.557,1131 35.731,1132 17.041,1133 39334,1134 61222,1135 33.808,1136 55.052,1137 75.406,1138 77.178,1139 77.165,1140 74.594,1141 74.581,1142 89.832,1143 15.032,1144 213.547,1145 70.442,1146 5.415,1147 5.695,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.928,1155 21.724,1156 1.508,1157 1.544,1158 1.543,1159 1.492,1160 1.492,1161 1.797,1162 0.301,1163 4.271,1164 1.409,1165 4.033,1166 4.08,1167 3.988,1168 3.911,1169 7.432,1170 3.92,1171 3.946,1172 3.986,1173 3.897,1174 3.85,1175 7.427,1176 3.854,1177 3.852,1178 3.9,1179 3.782,1180 3.676,1181 5.078,1182 3.698,1183 3.789,1184 3.853,1185 3.682,1186 3.597,1187 4.734,1188 3.608,1189 3.784,1190 3.84,1191 3.672,1192 3.579,1193 4.693,1194 3.592,1195 3.578,1196 3.633,1197 3.508,1198 3.351,1199 4.623,1200 3.385,1201 3.427,1202 3.473,1203 3.371,1204 3.166,1205 4.596,1206 3.212,1207 3.268,1208 3.352,1209 3.176,1210 3.089,1211 4.363,1212 3.065,1213 0.088,1214 0.074,1215 0.131,1216 0.081,1217 0.063,1218 4.415,1219 0.081,1220 3.695,1221 0.033,1222 6.563,1223 0.208,1224 4.053,1225 0.059,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.928,1231 1.937,1232 1.907,1233 2.033,1234 2.088,1235 1.287,1236 2.066,1237 1.913,1238 1.885,1239 2.018,1240 2.055,1241 1.252,1242 2.047,1243 1.787,1244 1.733,1245 1.963,1246 1.983,1247 1.235,1248 1.979,1249 1.748,1250 1.677,1251 1.949,1252 1.962,1253 1.103,1254 1.958,1255 1.73,1256 1.673,1257 1.947,1258 1.939,1259 1.081,1260 1.947,1261 1.469,1262 1.414,1263 1.644,1264 1.721,1265 0.895,1266 1.683,1267 1.302,1268 1.249,1269 1.636,1270 1.586,1271 0.894,1272 1.566,1273 1.293,1274 1.21,1275 1.556,1276 1.52,1277 0.825,1278 1.565,1279 4.615,1281 5.943,1283 7.465,1285 9.068,1287 10.713,1289 6.267,1295 7.047,1296 5.711,1297 11.277,1299 0.283,1300 8.405,1305 52.481,1306 136.47,1307 300.059,1308 395.375,1309 434.394,1310 442.394,1311 448.394,1312 84.877,1313 9,1314 128.29,1315 128.29,1316 36,1317 13,1318 4.392,1319 3.585,1320 68.845,1321 294,1322 322,1323 0.112,1324 318.297,1325 560.42,1326 768.405,1327 133430,1329 31.338,1330 0.696,1331 0.58,1332 31.338,1333 26.108,1334 21.835,1335 0.437,1336 0.311,1337 15.247,1338 20.712,1339 14.882,1340 12.261,1341 21.835,1342 15.55,1343 19.856,1344 0.284,1345 0.169,1346 19.856,1347 11.823,1348 16.852,1349 0.183,1350 0.092,1351 16.852,1352 8.442,1353 13.906,1354 0.118,1355 0.048,1356 13.906,1357 5.673,1358 11.362,1359 0.075,1360 0.025,1361 11.362,1362 3.845,1363 0.183,1364 138.55,1365 0.172,1366 40.298,1367 0.286,1368 240,1369 705.124,1370 270.667,1371 666.382,1372 913.69,1373 628,1374 282,1375 671.419,1376 313.892,1377 674.212,1378 994.45,1379 633,1380 7.119}
{0 CHEMBL1092039,1 1.56,2 19.17,3 3.28,4 10.76,5 180.811,6 6.999,7 0.346,8 4.617,9 4.751,10 4.135,11 4.066,12 5.633,13 4.055,14 5.213,15 5.416,16 4.505,17 4.475,18 6.201,19 4.441,20 5.477,21 5.701,22 4.594,23 4.679,24 6.421,25 4.612,26 5.603,27 5.857,28 4.562,29 4.698,30 6.574,31 4.605,32 5.56,33 5.824,34 4.522,35 4.644,36 6.552,37 4.557,38 5.432,39 5.679,40 4.505,41 4.614,42 6.366,43 4.534,44 5.399,45 5.613,46 4.522,47 4.67,48 6.362,49 4.589,50 5.542,51 5.763,52 4.499,53 4.757,54 6.55,55 4.625,56 0.03,57 1.417,58 20.943,59 7.664,60 12.069,61 11.285,62 0.761,63 2.249,64 41.767,65 12.764,66 53.932,67 19.081,68 0.662,69 2.776,70 54.788,71 16.36,72 61.335,73 25.499,74 0.821,75 2.913,76 63.875,77 18.501,78 98.113,79 28.979,80 1.003,81 2.766,82 61.953,83 16.699,84 118.962,85 27.05,86 0.725,87 2.601,88 52.995,89 16.022,90 70.27,91 25,92 0.661,93 2.637,94 49.717,95 16.333,96 58.667,97 24.669,98 0.778,99 2.808,100 57.729,101 22.195,102 120.578,103 31.477,104 38,105 73,106 0.231,107 0.519,108 0.705,109 0.755,110 0.768,111 0.777,112 3.874,113 0.948,114 -4.44,115 -4.37,116 -4.12,119 37,120 2,121 2,124 2,125 8,127 3,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 10,178 2,179 1,180 4,183 9,186 2,187 10,192 4,195 4,198 4,199 21,204 6,207 2,211 4,212 10,217 4,220 4,223 1,224 13,227 4,229 2,232 10,236 4,237 4,245 12,249 4,250 6,253 7,255 2,258 13,263 6,271 4,275 5257,276 31.739,277 31.739,278 31.739,279 31.739,280 31.739,281 29.486,282 50.447,283 18.578,284 32.706,285 25.643,286 25.643,287 25.643,288 25.643,289 25.643,290 22.049,291 79.89,292 8.816,293 27.179,294 4.963,295 3.019,296 1.758,297 1.424,298 1.337,299 1.272,300 4.583,306 1976,307 4.183,311 1088.01,318 3.096,319 46.784,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 102.5,331 901,332 4.415,333 3.694,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.934,341 4.268,342 3.562,343 6.396,344 3.974,345 2.994,346 3.802,347 1.2,348 9.695,349 2.894,350 4.096,351 3.349,352 6.384,353 3.813,354 2.893,355 3.607,356 0.86,357 9.685,358 2.697,359 3.958,360 3.198,361 6.12,362 3.771,363 2.805,364 3.223,365 0.86,366 8.96,367 2.66,368 3.915,369 2.971,370 5.913,371 3.68,372 2.722,373 3.091,374 0.8,375 8.149,376 2.603,377 3.768,378 2.851,379 5.577,380 3.576,381 2.617,382 3.054,383 0.8,384 7.647,385 2.503,386 3.689,387 2.588,388 5.371,389 3.375,390 2.415,391 2.755,392 0.8,393 7.004,394 2.315,395 3.443,396 2.497,397 5.215,398 3.119,399 2.172,400 2.613,401 0.293,402 6.272,403 2.051,404 3.306,405 2.322,406 5.143,407 3.003,408 2.052,409 2.438,410 0.247,411 6.108,412 1.943,413 3.136,414 2.297,415 4.891,416 2.796,417 1.851,418 2.253,420 5.254,421 1.771,422 3.045,423 2.264,424 4.636,425 2.765,426 1.806,427 2.139,428 4.952,429 1.691,430 2.76,431 1.89,432 4.291,433 2.346,434 1.414,435 1.858,436 3.876,437 1.318,438 2.527,439 1.872,440 3.92,441 2.328,442 1.414,443 1.5,445 3.118,446 1.282,447 2.5,448 1.752,449 3.909,450 2.292,451 1.366,452 1.5,454 3.103,455 1.258,456 2.5,457 1.539,458 3.832,459 2.261,460 1.3,461 1.459,463 3.068,464 1.235,465 21.933,466 0.467,467 1.185,468 0.025,469 56,470 1.191,471 23,472 0.489,473 33,474 0.702,475 50.691,476 1.079,477 53.067,478 0.577,479 50.997,480 1.085,481 10.8,482 0.23,483 11.945,484 0.254,485 0.122,487 0.347,493 0.837,494 1.708,495 0.83,496 1.332,497 0.615,498 1.11,499 1.034,500 0.993,501 0.928,502 0.905,503 0.601,504 0.898,505 1.077,506 1.207,507 1.034,508 1.062,509 0.843,510 1.035,511 1.079,512 1.092,513 1.005,514 1.015,515 1.17,516 0.997,517 1.087,518 0.956,519 0.974,520 0.842,521 1.4,522 0.87,523 0.884,524 0.991,525 0.926,526 0.917,527 0.91,528 0.916,529 0.885,530 1.048,531 1.106,532 1.09,533 0.774,534 1.111,535 0.598,536 1.116,537 1.083,538 1.36,539 0.819,540 1.325,541 9.5,542 0.268,543 5.778,544 3.313,545 2.164,546 1.972,547 1.376,548 0.752,549 0.5,550 0.518,551 48296,552 111605,553 2.102,554 48.9,556 33,559 2,561 6,562 4,564 1.833,565 1.972,566 4.113,567 0.137,573 143.531,574 1.56,575 3.504,576 4.765,577 5.099,578 5.186,579 5.252,580 3.563,581 4.815,582 5.525,583 4.412,584 4769.14,585 9.776,586 100357,591 600.168,592 1.393,593 5.488,594 0.183,595 0.006,596 0.079,597 0.042,598 0.03,599 0.028,600 0.019,601 0.01,602 0.007,603 0.01,604 0.415,605 0.17,606 0.63,607 0.615,608 284.794,609 -0.027,610 -0.387,611 0.08,612 -0.165,613 -0.025,614 -0.046,615 0.075,616 0.175,617 0.06,618 0.106,619 0.101,620 0.077,621 -0.096,622 -0.102,623 -0.058,624 -0.049,625 -0.01,626 -0.045,627 -0.075,628 -0.079,629 -0.012,630 -0.041,631 -0.027,632 -0.021,633 -0.054,634 0.053,635 0.032,636 0.1,637 -0.09,638 0.087,639 -0.007,640 0.077,641 0.047,642 0.079,643 -0.017,644 0.075,645 -0.047,646 0.105,647 -0.158,648 -0.04,649 -0.033,650 -0.098,651 0.187,652 -0.073,653 -0.15,654 -0.252,655 0.152,656 -0.263,657 2.046,658 5.993,659 0.766,660 75.082,661 1.001,662 1.139,663 3.208,664 10.294,665 0.637,666 3.97,667 4.304,668 4.575,669 4.812,670 5.056,671 5.159,672 5.352,673 5.472,674 5.565,675 5.71,676 11.253,677 0.604,678 643.88,679 3.97,680 5.525,681 6.378,682 7.253,683 8.119,684 8.998,685 9.869,686 10.75,687 11.624,688 12.508,689 9.8,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 92,733 20,734 2,735 52,737 97,738 34,739 15,740 4,741 8,742 1,746 6,747 6,751 1,752 2,755 5,758 5,761 17,762 17,766 2,771 2,775 2,781 45,782 13,783 2,784 13,790 9,794 1,795 4,812 6,836 1,839 2,840 6,844 4,848 47,854 10,855 2,856 2,858 3,859 4,870 4.3,873 2,874 2,877 23.833,878 17.483,879 10.222,880 5.686,881 3.481,882 1.381,883 0.963,884 10.775,885 12.62,886 4.159,887 4.677,888 5.178,889 5.692,890 6.223,891 6.495,892 6.923,893 7.269,894 7.539,895 7.907,896 1,897 78,898 17.498,900 7.449,901 7.649,902 33.87,904 28.065,905 2.149,906 101,910 506.157,911 169.106,912 98.875,914 72.29,917 169.106,918 578.447,919 98.875,920 34.443,921 71.007,922 75.81,923 127.351,924 23.586,925 8.074,926 506.157,928 506.157,929 267.981,930 72.29,933 390.774,934 168.001,935 22,937 95.58,938 119.716,939 50.357,941 506.157,942 171.165,943 169.106,946 506.157,947 58.853,948 122.75,949 36.022,950 122.646,951 506.157,952 171.165,953 169.106,955 0.586,956 0.343,957 0.179,958 0.096,959 34,960 16,961 0.072,962 7,964 1,965 5.583,966 491.232,968 36,969 226.311,974 33.409,975 15.158,976 8.15,978 171.165,979 14.473,980 14.612,984 4.471,986 36.022,987 846.428,988 63,993 25.817,997 -0.357,999 92.13,1000 104.796,1001 0.239,1002 0.537,1003 0.73,1004 0.782,1005 0.795,1006 0.805,1007 5.427,1008 2.172,1009 6.365,1010 7.004,1011 4.99,1012 5.366,1013 2.675,1014 7.166,1015 4.882,1016 6.594,1017 2.052,1018 7.922,1019 6.272,1020 4.575,1021 5.085,1022 1.577,1023 8.038,1024 4.424,1025 7.879,1026 1.851,1027 9.576,1028 6.108,1029 6.583,1030 7.404,1031 2.906,1032 11.119,1033 6.37,1034 9.192,1035 1.806,1036 11.287,1037 5.254,1038 6.967,1039 7.906,1040 2.49,1041 12.797,1042 6.707,1043 10.537,1044 1.414,1045 13.034,1046 4.952,1047 8.444,1048 9.739,1049 3.489,1050 15.384,1051 8.126,1052 11.901,1053 1.414,1054 14.805,1055 3.876,1056 9.195,1057 10.614,1058 3.482,1059 17.4,1060 8.825,1061 13.282,1062 1.366,1063 16.594,1064 3.118,1065 10.45,1066 12.234,1067 4.274,1068 19.808,1069 10.026,1070 3.133,1071 1.3,1072 18.395,1073 3.103,1074 11.378,1075 13.31,1076 4.502,1077 21.976,1078 10.898,1079 2.994,1080 10.418,1081 20.207,1082 3.068,1083 12.538,1084 14.821,1085 5.169,1086 24.316,1087 12.005,1088 2.893,1089 9.695,1090 22.026,1091 4.056,1092 13.553,1093 16.016,1094 5.524,1095 26.556,1096 12.962,1097 2.805,1098 9.685,1099 23.852,1100 3.802,1101 14.674,1102 17.467,1103 6.119,1104 28.871,1105 14.03,1106 2.722,1107 8.96,1108 25.683,1109 3.607,1110 15.732,1111 18.734,1112 6.542,1113 31.145,1114 15.03,1115 2.617,1116 8.149,1117 27.518,1118 3.223,1119 16.839,1120 20.152,1121 7.097,1122 33.454,1123 16.082,1124 2.415,1125 7.647,1126 29.358,1127 3.091,1128 17.92,1129 21.463,1130 7.557,1131 35.747,1132 17.105,1133 44852,1134 68492,1135 34.906,1136 58.574,1137 78.69,1138 80.512,1139 80.604,1140 77.904,1141 77.877,1142 93.131,1143 15.032,1144 223.595,1145 73.736,1146 5.415,1147 5.694,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.934,1155 24.732,1156 1.513,1157 1.548,1158 1.55,1159 1.498,1160 1.498,1161 1.791,1162 0.289,1163 4.3,1164 1.418,1165 4.037,1166 4.084,1167 3.99,1168 3.914,1169 7.432,1170 3.923,1171 3.951,1172 3.993,1173 3.9,1174 3.852,1175 7.427,1176 3.856,1177 3.859,1178 3.909,1179 3.784,1180 3.698,1181 5.078,1182 3.706,1183 3.824,1184 3.874,1185 3.722,1186 3.666,1187 4.734,1188 3.68,1189 3.784,1190 3.84,1191 3.672,1192 3.579,1193 4.693,1194 3.592,1195 3.581,1196 3.637,1197 3.512,1198 3.352,1199 4.623,1200 3.386,1201 3.491,1202 3.571,1203 3.404,1204 3.238,1205 4.597,1206 3.267,1207 3.385,1208 3.439,1209 3.283,1210 3.121,1211 4.389,1212 3.152,1213 0.085,1214 0.071,1215 0.126,1216 0.078,1217 0.06,1218 4.415,1219 0.078,1220 3.694,1221 0.032,1222 6.563,1223 0.2,1224 4.053,1225 0.056,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.934,1231 1.938,1232 1.908,1233 2.06,1234 2.088,1235 1.411,1236 2.07,1237 1.918,1238 1.888,1239 2.024,1240 2.065,1241 1.252,1242 2.061,1243 1.816,1244 1.757,1245 1.984,1246 1.991,1247 1.235,1248 1.99,1249 1.787,1250 1.732,1251 1.96,1252 1.962,1253 1.105,1254 1.959,1255 1.73,1256 1.673,1257 1.947,1258 1.95,1259 1.087,1260 1.958,1261 1.471,1262 1.415,1263 1.728,1264 1.731,1265 0.895,1266 1.721,1267 1.426,1268 1.339,1269 1.644,1270 1.699,1271 0.894,1272 1.68,1273 1.293,1274 1.22,1275 1.636,1276 1.555,1277 0.835,1278 1.565,1279 4.654,1281 5.984,1283 7.507,1285 9.112,1287 10.757,1289 8.382,1295 7.321,1296 5.734,1297 11.29,1299 0.793,1300 8.464,1305 55.534,1306 143.531,1307 322.378,1308 438.393,1309 469.148,1310 477.148,1311 483.148,1312 93.459,1313 9.139,1314 128.29,1315 128.29,1316 36,1317 13.043,1318 4.392,1319 3.585,1320 73.648,1321 325,1322 338,1323 0.108,1324 337.482,1325 595.02,1326 815.216,1327 160266,1329 32.915,1330 0.7,1331 0.589,1332 32.915,1333 27.685,1334 22.745,1335 0.437,1336 0.316,1337 16.134,1338 21.619,1339 15.698,1340 12.975,1341 22.745,1342 16.44,1343 20.755,1344 0.284,1345 0.174,1346 20.755,1347 12.714,1348 17.55,1349 0.183,1350 0.095,1351 17.55,1352 9.134,1353 14.432,1354 0.118,1355 0.051,1356 14.432,1357 6.249,1358 11.566,1359 0.074,1360 0.026,1361 11.566,1362 4.108,1363 0.178,1364 144.061,1365 0.169,1366 41.81,1367 0.275,1368 250,1369 715.124,1370 280.667,1371 677.409,1372 929.07,1373 638,1374 294,1375 683.419,1376 325.837,1377 688.081,1378 1012.87,1379 645,1380 7.26}
{0 CHEMBL1092040,1 1.604,2 16.098,3 3.169,4 10.045,5 155.36,6 7.282,7 0.4,8 4.445,9 4.574,10 3.993,11 3.892,12 5.518,13 3.893,14 5.016,15 5.211,16 4.358,17 4.28,18 6.075,19 4.261,20 5.245,21 5.452,22 4.441,23 4.461,24 6.284,25 4.415,26 5.361,27 5.603,28 4.404,29 4.461,30 6.418,31 4.397,32 5.282,33 5.523,34 4.378,35 4.422,36 6.358,37 4.367,38 5.214,39 5.442,40 4.359,41 4.431,42 6.193,43 4.365,44 5.235,45 5.451,46 4.373,47 4.503,48 6.194,49 4.43,50 5.375,51 5.59,52 4.361,53 4.616,54 6.387,55 4.483,56 0.066,57 1.189,58 16.578,59 6.268,60 10.079,61 8.926,62 0.739,63 1.847,64 33.381,65 10.39,66 48.805,67 14.93,68 0.626,69 2.233,70 42.154,71 12.729,72 54.473,73 19.189,74 0.826,75 2.333,76 49.822,77 13.77,78 96.094,79 21.275,80 0.888,81 2.236,82 45.585,83 11.872,84 93.989,85 19.063,86 0.598,87 2.174,88 41.178,89 12.838,90 54.677,91 19.507,92 0.703,93 2.255,94 41.345,95 13.285,96 48.594,97 19.919,98 0.677,99 2.424,100 47.254,101 19.295,102 96.849,103 26.986,104 39,105 63,106 0.246,107 0.543,108 0.7,109 0.74,110 0.756,111 0.767,112 3.741,113 0.916,114 -4.21,115 -4.15,116 -3.92,119 37.7,120 2,124 2,125 6,127 2,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 6,178 2,179 1,180 4,183 8,186 2,187 10,192 4,195 4,198 3,199 19,204 6,211 4,212 10,217 4,224 12,227 4,229 2,232 6,236 4,237 2,245 12,249 4,250 4,253 7,258 13,263 6,271 4,275 3745,276 27.515,277 27.515,278 27.515,279 27.515,280 27.515,281 25.262,282 40.769,283 16.14,284 28.373,285 22.189,286 22.189,287 22.189,288 22.189,289 22.189,290 18.581,291 61.569,292 7.664,293 23.539,294 4.662,295 2.724,296 1.702,297 1.442,298 1.338,299 1.26,300 4.443,306 1429,307 4.062,311 755.134,318 2.534,319 43.212,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 90,331 660,332 4.415,333 3.664,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.897,341 4.245,342 3.561,343 6.384,344 3.915,345 2.923,346 3.796,347 1.2,348 9.695,349 2.892,350 4.095,351 3.349,352 6.284,353 3.813,354 2.893,355 3.607,356 0.86,357 9.194,358 2.696,359 3.958,360 3.198,361 6.12,362 3.77,363 2.803,364 3.205,365 0.86,366 8.96,367 2.66,368 3.894,369 2.851,370 5.57,371 3.585,372 2.624,373 3.091,374 0.8,375 7.627,376 2.514,377 3.723,378 2.582,379 5.343,380 3.367,381 2.405,382 3.046,383 0.8,384 6.942,385 2.311,386 3.436,387 2.495,388 5.205,389 3.104,390 2.159,391 2.619,392 0.293,393 6.244,394 2.036,395 3.296,396 2.317,397 4.891,398 2.939,399 1.97,400 2.434,401 0.247,402 5.289,403 1.898,404 3.046,405 2.264,406 4.867,407 2.765,408 1.851,409 2.164,411 5.254,412 1.691,413 3.045,414 2.044,415 4.606,416 2.704,417 1.732,418 2.139,420 4.741,421 1.673,422 2.759,423 1.89,424 4.289,425 2.345,426 1.414,427 1.857,428 3.871,429 1.317,430 2.5,431 1.838,432 3.911,433 2.328,434 1.414,435 1.5,436 3.111,437 1.282,438 2.5,439 1.752,440 3.832,441 2.284,442 1.361,443 1.5,445 3.068,446 1.243,447 2.414,448 1.539,449 3.585,450 2,451 1.076,452 1.414,454 2.765,455 1,456 2.414,457 1.278,458 3.575,459 2,460 1,461 1.414,463 2.593,464 1,465 19.033,466 0.464,467 1.065,468 0.026,469 51.75,470 1.262,471 23,472 0.561,473 28.75,474 0.701,475 39.653,476 0.967,477 45.767,478 0.594,479 46.043,480 1.123,481 10.243,482 0.25,483 9.536,484 0.233,485 0.14,487 0.352,493 0.836,494 1.682,495 0.794,496 1.308,497 0.624,498 1.076,499 1.009,500 0.92,501 0.881,502 0.853,503 0.614,504 0.847,505 1.096,506 1.252,507 1.02,508 1.078,509 0.879,510 1.034,511 1.196,512 1.107,513 1.014,514 0.955,515 1.299,516 0.949,517 1.094,518 1.005,519 1.044,520 0.857,521 1.224,522 0.905,523 0.854,524 1.101,525 0.97,526 1.019,527 0.824,528 1.004,529 0.853,530 0.97,531 1.111,532 1.013,533 0.645,534 1.071,535 0.393,536 1.113,537 1.067,538 1.44,539 0.404,540 1.4,541 8.5,542 0.215,543 4.889,544 2.813,545 1.862,546 1.778,547 1.215,548 0.578,549 0.45,550 0.437,551 30503,552 79442,553 2.075,554 46.8,556 28,559 2,561 6,564 1.803,565 1.937,566 3.875,567 0.185,573 123.544,574 1.604,575 3.543,576 4.565,577 4.825,578 4.929,579 5.007,580 3.312,581 4.607,582 5.326,583 4.162,584 3412.58,585 9.397,586 62864.5,591 482.543,592 1.429,593 5.286,594 0.189,595 0.006,596 0.078,597 0.042,598 0.03,599 0.029,600 0.02,601 0.009,602 0.008,603 0.01,604 0.419,605 0.33,606 0.63,607 0.798,608 236.418,609 -0.046,610 -0.39,611 0.072,612 -0.174,613 -0.049,614 -0.051,615 0.088,616 0.228,617 0.086,618 0.143,619 0.092,620 0.108,621 -0.105,622 -0.148,623 -0.061,624 -0.071,625 -0.013,626 -0.059,627 -0.137,628 -0.091,629 -0.016,630 -0.001,631 -0.082,632 0.009,633 -0.098,634 0.074,635 -0.055,636 0.074,637 -0.112,638 0.034,639 -0.039,640 -0.007,641 -0.024,642 -0.015,643 -0.046,644 -0.015,645 -0.065,646 0.173,647 -0.182,648 0.006,649 -0.052,650 -0.081,651 0.248,652 -0.072,653 -0.167,654 -0.323,655 0.22,656 -0.328,657 2.059,658 5.603,659 0.732,660 56.432,661 1.006,662 1.138,663 2.98,664 8.88,665 0.643,666 3.829,667 4.159,668 4.419,669 4.654,670 4.89,671 4.984,672 5.187,673 5.328,674 5.416,675 5.553,676 9.579,677 0.616,678 560.73,679 3.829,680 5.38,681 6.229,682 7.102,683 7.965,684 8.843,685 9.713,686 10.594,687 11.467,688 12.351,689 10.4,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 77,733 20,734 2,735 45,737 81,738 29,739 15,740 4,741 8,742 1,746 5,747 5,751 1,752 2,755 2,758 2,761 17,762 12,766 2,771 2,775 2,781 36,782 12,783 2,784 12,790 8,794 1,795 4,812 5,839 2,840 5,844 4,848 41,854 6,855 2,856 2,858 2,859 3,870 5.2,873 2,874 2,877 21.167,878 14.95,879 8.944,880 4.586,881 3.381,882 1.396,883 0.961,884 9.228,885 11.92,886 4.043,887 4.58,888 5.095,889 5.623,890 6.166,891 6.434,892 6.866,893 7.209,894 7.466,895 7.834,896 1,897 67,898 15.203,900 6.421,901 7.736,902 29.031,904 23.551,905 2.236,906 91.667,910 400.217,911 159.825,912 95.751,914 72.29,917 159.825,918 472.507,919 95.751,920 34.443,921 61.727,922 75.81,923 127.351,924 20.461,925 8.074,926 400.217,928 400.217,929 255.576,930 72.29,933 331.919,934 120.916,935 22,937 83.175,938 119.716,939 50.357,941 400.217,942 168.041,943 159.825,946 400.217,947 49.572,948 119.626,949 36.022,950 122.646,951 400.217,952 168.041,953 159.825,955 0.586,956 0.341,957 0.177,958 0.094,959 29,960 14,961 0.074,962 6,964 1,965 5.034,966 408.617,968 30,969 191.66,974 29.052,975 13.023,976 7.069,978 168.041,979 14.132,980 14.535,984 4.36,986 36.022,987 728.083,988 56,993 24.678,997 -0.491,999 77.494,1000 87.637,1001 0.256,1002 0.565,1003 0.728,1004 0.77,1005 0.787,1006 0.799,1007 5.301,1008 1.97,1009 6.217,1010 6.244,1011 4.844,1012 5.268,1013 2.607,1014 7.017,1015 4.735,1016 6.48,1017 1.851,1018 7.774,1019 5.289,1020 4.443,1021 5.007,1022 1.494,1023 7.888,1024 4.299,1025 7.769,1026 1.732,1027 9.428,1028 5.254,1029 6.435,1030 7.341,1031 2.881,1032 10.972,1033 6.221,1034 9.089,1035 1.414,1036 11.139,1037 4.741,1038 6.825,1039 7.853,1040 2.464,1041 12.65,1042 6.575,1043 10.438,1044 1.414,1045 12.886,1046 3.871,1047 8.295,1048 9.7,1049 3.481,1050 15.243,1051 7.979,1052 11.808,1053 1.361,1054 14.658,1055 3.111,1056 9.051,1057 10.579,1058 3.475,1059 17.261,1060 8.69,1061 13.194,1062 1.076,1063 16.448,1064 3.068,1065 10.304,1066 12.209,1067 4.272,1068 19.673,1069 9.883,1070 3.133,1071 1,1072 18.251,1073 2.765,1074 11.236,1075 13.288,1076 4.501,1077 21.844,1078 10.762,1079 2.923,1080 10.418,1081 20.064,1082 2.593,1083 12.396,1084 14.804,1085 5.168,1086 24.186,1087 11.865,1088 2.893,1089 9.695,1090 21.885,1091 4.056,1092 13.414,1093 16.001,1094 5.524,1095 26.427,1096 12.826,1097 2.803,1098 9.194,1099 23.713,1100 3.796,1101 14.535,1102 17.455,1103 6.119,1104 28.744,1105 13.891,1106 2.624,1107 8.96,1108 25.546,1109 3.607,1110 15.596,1111 18.723,1112 6.542,1113 31.021,1114 14.892,1115 2.405,1116 7.627,1117 27.383,1118 3.205,1119 16.704,1120 20.142,1121 7.097,1122 33.331,1123 15.942,1124 2.159,1125 6.942,1126 29.224,1127 3.091,1128 17.787,1129 21.454,1130 7.557,1131 35.625,1132 16.964,1133 28854,1134 46744,1135 29.937,1136 49.523,1137 68.004,1138 69.936,1139 69.649,1140 67.179,1141 67.153,1142 82.399,1143 13.432,1144 192.418,1145 63.517,1146 5.415,1147 5.664,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.897,1155 22.558,1156 1.511,1157 1.554,1158 1.548,1159 1.493,1160 1.492,1161 1.831,1162 0.298,1163 4.276,1164 1.411,1165 4.027,1166 4.073,1167 3.984,1168 3.907,1169 7.432,1170 3.916,1171 3.934,1172 3.967,1173 3.887,1174 3.847,1175 7.427,1176 3.85,1177 3.849,1178 3.892,1179 3.779,1180 3.674,1181 5.078,1182 3.696,1183 3.784,1184 3.84,1185 3.672,1186 3.579,1187 4.734,1188 3.592,1189 3.598,1190 3.663,1191 3.526,1192 3.356,1193 4.693,1194 3.39,1195 3.557,1196 3.622,1197 3.468,1198 3.324,1199 4.623,1200 3.351,1201 3.373,1202 3.423,1203 3.296,1204 3.103,1205 4.596,1206 3.142,1207 3.264,1208 3.352,1209 3.037,1210 3.089,1211 4.208,1212 3.065,1213 0.098,1214 0.081,1215 0.146,1216 0.09,1217 0.07,1218 4.415,1219 0.09,1220 3.664,1221 0.037,1222 6.563,1223 0.232,1224 4.053,1225 0.064,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.897,1231 1.936,1232 1.906,1233 2.028,1234 2.088,1235 1.252,1236 2.065,1237 1.907,1238 1.881,1239 2.007,1240 2.027,1241 1.235,1242 2.02,1243 1.787,1244 1.733,1245 1.961,1246 1.966,1247 1.108,1248 1.968,1249 1.73,1250 1.673,1251 1.947,1252 1.962,1253 1.093,1254 1.958,1255 1.507,1256 1.436,1257 1.769,1258 1.785,1259 0.895,1260 1.779,1261 1.464,1262 1.403,1263 1.644,1264 1.712,1265 0.894,1266 1.68,1267 1.293,1268 1.21,1269 1.636,1270 1.541,1271 0.826,1272 1.565,1273 1.29,1274 1.21,1275 1.535,1276 1.52,1277 0.515,1278 1.562,1279 4.511,1281 5.838,1283 7.357,1285 8.959,1287 10.602,1289 7.591,1295 3.881,1296 5.628,1297 11.246,1299 0.285,1300 5.822,1305 47.406,1306 123.544,1307 272.821,1308 351.523,1309 371.523,1310 379.523,1311 385.523,1312 79.647,1313 8.539,1314 125.05,1315 125.05,1316 30,1317 12.887,1318 4.392,1319 3.585,1320 66.641,1321 235,1322 255,1323 0.134,1324 290.119,1325 509.88,1326 699.651,1327 70613,1329 28.932,1330 0.706,1331 0.581,1332 28.932,1333 23.832,1334 19.779,1335 0.44,1336 0.305,1337 13.457,1338 18.754,1339 13.061,1340 10.841,1341 19.779,1342 13.733,1343 18.08,1344 0.287,1345 0.166,1346 18.08,1347 10.427,1348 15.099,1349 0.184,1350 0.086,1351 15.099,1352 7.058,1353 12.254,1354 0.118,1355 0.046,1356 12.254,1357 4.739,1358 9.835,1359 0.075,1360 0.023,1361 9.835,1362 3.056,1363 0.218,1364 125.688,1365 0.183,1366 37.151,1367 0.352,1368 216,1369 661.479,1370 244.253,1371 625.831,1372 854.25,1373 588,1374 253,1375 625.954,1376 282.006,1377 630.764,1378 926.3,1379 590,1380 7.387}
{0 CHEMBL1092041,1 1.567,2 17.476,3 2.828,4 7.995,5 158.627,6 7.084,7 0.383,8 4.5,9 4.634,10 4.034,11 3.95,12 5.508,13 3.944,14 5.095,15 5.295,16 4.391,17 4.359,18 6.078,19 4.327,20 5.354,21 5.586,22 4.443,23 4.544,24 6.26,25 4.471,26 5.422,27 5.686,28 4.389,29 4.529,30 6.339,31 4.434,32 5.354,33 5.619,34 4.389,35 4.468,36 6.359,37 4.393,38 5.199,39 5.416,40 4.362,41 4.466,42 6.141,43 4.395,44 5.272,45 5.488,46 4.37,47 4.546,48 6.196,49 4.453,50 5.436,51 5.682,52 4.315,53 4.6,54 6.311,55 4.455,56 0.033,57 1.274,58 18.282,59 6.631,60 10.019,61 9.776,62 0.652,63 2.016,64 36.686,65 11.125,66 47.872,67 16.621,68 0.649,69 2.455,70 48.455,71 14.281,72 53.253,73 22.309,74 0.588,75 2.494,76 52.901,77 14.884,78 68.533,79 24.238,80 0.974,81 2.321,82 50.204,83 13.308,84 95.939,85 21.642,86 0.405,87 2.193,88 40.302,89 13.191,90 45.34,91 19.983,92 0.589,93 2.334,94 43.266,95 14.691,96 50.127,97 22.061,98 0.502,99 2.445,100 52.271,101 19.596,102 66.14,103 28.445,104 10,105 65,106 0.238,107 0.547,108 0.755,109 0.835,110 0.844,111 0.844,112 3.764,113 0.943,114 -4.48,115 -4.4,116 -4.15,119 37,120 1,121 2,122 1,124 1,125 9,127 1,142 6,143 1,144 2,145 1,147 1,149 2,150 1,159 1,172 7,174 6,175 9,178 2,179 1,180 3,183 5,186 2,187 12,190 1,192 3,195 2,198 1,199 13,204 4,207 1,211 6,212 12,215 2,217 3,220 4,224 7,227 2,229 1,232 10,236 4,237 5,240 1,245 12,249 2,250 8,253 5,255 1,258 5,263 8,268 2,271 1,275 3928,276 28.825,277 28.825,278 28.825,279 28.825,280 28.825,281 26.663,282 45.029,283 17.143,284 29.776,285 23.251,286 23.251,287 23.251,288 23.251,289 23.251,290 19.861,291 65.866,292 8.225,293 24.764,294 4.773,295 2.74,296 1.37,297 0.843,298 0.784,299 0.784,300 4.481,306 1631,307 3.317,311 943.261,318 2.812,319 37.817,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 91.5,331 734,332 4.405,333 3.562,334 6.515,335 4.039,336 3.107,337 4.053,338 1.656,339 10.262,340 2.911,341 4.157,342 3.317,343 6.212,344 3.823,345 2.891,346 3.703,347 0.86,348 9.243,349 2.707,350 4.08,351 3.136,352 6.148,353 3.782,354 2.835,355 3.6,356 0.86,357 9.075,358 2.68,359 3.895,360 3.068,361 6.022,362 3.708,363 2.735,364 3.119,365 0.8,366 8.656,367 2.644,368 3.833,369 2.808,370 5.563,371 3.565,372 2.606,373 3.037,374 0.8,375 7.615,376 2.485,377 3.671,378 2.661,379 5.323,380 3.362,381 2.409,382 2.955,383 0.8,384 6.917,385 2.294,386 3.412,387 2.495,388 5.085,389 3.185,390 2.255,391 2.561,392 0.247,393 6.084,394 2.093,395 3.291,396 2.427,397 5.038,398 3.011,399 2.072,400 2.371,402 5.901,403 1.942,404 3.212,405 2.31,406 4.669,407 2.85,408 1.87,409 2.323,411 5.059,412 1.817,413 2.91,414 2.269,415 4.48,416 2.647,417 1.744,418 1.979,420 4.464,421 1.571,422 2.743,423 1.836,424 4.278,425 2.353,426 1.42,427 1.822,428 3.945,429 1.32,430 2.61,431 1.631,432 4.197,433 2.333,434 1.414,435 1.621,436 3.704,437 1.294,438 2.5,439 1.562,440 3.87,441 2.28,442 1.35,443 1.5,445 3.088,446 1.243,447 2.5,448 1.274,449 3.581,450 2,451 1.081,452 1.5,454 2.729,455 1,456 2.414,457 1.2,458 3.488,459 1.978,460 1,461 1.414,463 2.54,464 0.965,465 19.6,466 0.467,467 0.917,468 0.022,469 51.5,470 1.226,471 21.5,472 0.512,473 30,474 0.714,475 42.053,476 1.001,477 47,478 0.58,479 43.072,480 1.026,481 9.829,482 0.234,483 10.684,484 0.254,485 0.068,487 0.316,493 0.88,494 1.701,495 0.816,496 1.318,497 0.655,498 1.09,499 1.133,500 1.044,501 0.962,502 0.941,503 0.678,504 0.929,505 1.11,506 1.143,507 1.047,508 1.021,509 0.922,510 1.02,511 0.949,512 1.148,513 0.968,514 1.012,515 0.909,516 0.984,517 0.995,518 0.798,519 0.94,520 0.74,521 1.329,522 0.801,523 0.932,524 1.157,525 1.01,526 1.098,527 1.058,528 1.063,529 0.78,530 1.067,531 1.128,532 1.165,533 0.733,534 1.186,535 0.548,536 1.107,537 1.005,538 1.346,539 0.639,540 1.275,541 8,542 0.215,543 4.444,544 2.125,545 1.653,546 1.819,547 1.091,548 0.422,549 0.421,550 0.401,551 35803,552 82185,553 2.158,554 48.1,556 28,558 1,559 2,560 1,561 7,564 1.807,565 2.066,566 3.995,567 0.173,573 126.906,574 1.567,575 3.599,576 4.97,577 5.497,578 5.556,579 5.556,580 3.46,581 4.785,582 5.362,583 4.257,584 3665.48,585 9.456,586 69806.9,591 513.528,592 1.224,593 5.344,594 0.17,595 0.006,596 0.068,597 0.032,598 0.027,599 0.029,600 0.017,601 0.007,602 0.008,603 0.009,604 0.373,605 0.17,606 0.63,607 0.4,608 245.332,609 -0.033,610 -0.392,611 0.085,612 -0.167,613 -0.003,614 -0.042,615 0.029,616 0.112,617 0.02,618 0.069,619 0.114,620 0.038,621 -0.114,622 -0.065,623 -0.071,624 -0.021,625 -0.048,626 -0.038,627 -0.076,628 -0.133,629 0.011,630 -0.044,631 0.008,632 -0.005,633 0.036,634 0.231,635 0.066,636 0.189,637 0.009,638 0.146,639 -0.087,640 -0.034,641 -0.065,642 -0.049,643 -0.076,644 -0.05,645 0.004,646 0.069,647 -0.195,648 -0.106,649 -0.042,650 -0.166,651 0.16,652 -0.123,653 -0.071,654 -0.26,655 0.114,656 -0.215,657 1.998,658 5.705,659 0.857,660 60.762,661 1.002,662 1.14,663 3.245,664 10.532,665 0.64,666 3.871,667 4.19,668 4.454,669 4.71,670 4.977,671 5.05,672 5.236,673 5.371,674 5.493,675 5.617,676 10.118,677 0.608,678 573.78,679 3.871,680 5.416,681 6.263,682 7.133,683 7.994,684 8.868,685 9.735,686 10.613,687 11.484,688 12.363,689 11.1,692 1,695 2,696 2,699 4,702 1,704 7,705 4,709 7,711 18,726 2,731 81,733 19,734 1,735 47,737 86,738 30,739 14,740 2,741 4,746 6,747 6,751 1,752 1,755 3,756 1,758 3,761 15,762 15,763 1,766 1,771 1,775 1,781 39,782 12,783 2,784 12,790 9,794 1,795 3,805 1,812 6,836 1,839 2,840 6,844 2,848 42,854 11,855 2,856 2,858 2,859 3,870 3.7,873 1,874 2,877 20.333,878 14.9,879 9.139,880 5.054,881 3.408,882 1.385,883 0.979,884 9.226,885 12.266,886 4.06,887 4.58,888 5.083,889 5.624,890 6.175,891 6.426,892 6.859,893 7.212,894 7.505,895 7.853,896 1,897 67,898 15.601,900 6.634,901 7.583,902 30.417,904 25.303,905 2.083,906 87.5,910 435.531,911 138.951,912 112.537,914 47.145,917 138.951,918 482.675,919 112.537,920 17.222,921 69.989,922 56.857,923 126.058,924 31.775,925 8.503,926 423.76,928 435.531,929 251.488,930 47.145,933 357.789,934 107.543,935 22,937 92.885,938 86.805,939 67.142,941 435.531,942 159.681,943 138.951,946 435.531,947 55.825,948 92.499,949 36.022,950 114.287,951 435.531,952 159.681,953 138.951,955 0.58,956 0.334,957 0.18,958 0.102,959 31,960 13,961 0.07,962 6,964 1,965 5.293,966 423.874,968 36,969 214.477,974 28.903,975 13.407,976 7.248,978 159.681,979 13.102,980 19.211,984 5.216,986 36.022,987 734.163,988 57,993 12.705,997 -0.331,999 81.152,1000 92.341,1001 0.247,1002 0.568,1003 0.784,1004 0.867,1005 0.876,1006 0.876,1007 5.316,1008 2.072,1009 6.232,1010 6.084,1011 4.875,1012 5.268,1013 2.454,1014 7.011,1015 4.756,1016 6.472,1017 1.87,1018 7.768,1019 5.901,1020 4.369,1021 4.924,1022 1.494,1023 7.818,1024 4.206,1025 7.749,1026 1.744,1027 9.399,1028 5.059,1029 6.441,1030 7.309,1031 2.692,1032 10.902,1033 6.209,1034 9.053,1035 1.42,1036 11.088,1037 4.464,1038 6.746,1039 7.763,1040 2.41,1041 12.536,1042 6.466,1043 10.39,1044 1.414,1045 12.814,1046 3.945,1047 8.265,1048 9.645,1049 3.334,1050 15.113,1051 7.921,1052 11.748,1053 1.35,1054 14.566,1055 3.704,1056 8.958,1057 10.486,1058 3.427,1059 17.099,1060 8.559,1061 13.122,1062 1.081,1063 16.336,1064 3.088,1065 10.235,1066 12.137,1067 4.182,1068 19.489,1069 9.775,1070 3.107,1071 1,1072 18.121,1073 2.729,1074 11.124,1075 13.192,1076 4.469,1077 21.635,1078 10.603,1079 2.891,1080 10.262,1081 19.916,1082 2.54,1083 12.291,1084 14.722,1085 5.119,1086 23.956,1087 11.71,1088 2.835,1089 9.243,1090 21.72,1091 4.053,1092 13.28,1093 15.903,1094 5.505,1095 26.176,1096 12.635,1097 2.735,1098 9.075,1099 23.531,1100 3.703,1101 14.4,1102 17.365,1103 6.093,1104 28.474,1105 13.694,1106 2.606,1107 8.656,1108 25.348,1109 3.6,1110 15.441,1111 18.624,1112 6.531,1113 30.731,1114 14.668,1115 2.409,1116 7.615,1117 27.169,1118 3.119,1119 16.544,1120 20.048,1121 7.084,1122 33.024,1123 15.708,1124 2.255,1125 6.917,1126 28.995,1127 3.037,1128 17.612,1129 21.354,1130 7.551,1131 35.302,1132 16.709,1133 32788,1134 49919,1135 32.304,1136 51.836,1137 70.401,1138 71.431,1139 71.271,1140 69.892,1141 69.909,1142 84.138,1143 12.046,1144 197.345,1145 65.763,1146 5.405,1147 5.562,1148 6.317,1149 5.143,1150 5.107,1151 7.053,1152 2.912,1153 17.086,1154 4.911,1155 16.142,1156 1.498,1157 1.52,1158 1.516,1159 1.487,1160 1.487,1161 1.79,1162 0.256,1163 4.199,1164 1.399,1165 4.032,1166 4.08,1167 3.986,1168 3.905,1169 7.431,1170 3.916,1171 3.931,1172 3.987,1173 3.876,1174 3.784,1175 5.071,1176 3.799,1177 3.854,1178 3.897,1179 3.78,1180 3.719,1181 4.888,1182 3.727,1183 3.784,1184 3.835,1185 3.664,1186 3.597,1187 4.699,1188 3.607,1189 3.736,1190 3.802,1191 3.629,1192 3.551,1193 4.614,1194 3.559,1195 3.563,1196 3.619,1197 3.488,1198 3.334,1199 4.59,1200 3.367,1201 3.386,1202 3.438,1203 3.329,1204 3.105,1205 4.357,1206 3.154,1207 3.264,1208 3.351,1209 3.037,1210 3.083,1211 4.07,1212 3.063,1213 0.094,1214 0.076,1215 0.139,1216 0.086,1217 0.066,1218 4.405,1219 0.086,1220 3.562,1221 0.035,1222 6.515,1223 0.218,1224 4.039,1225 0.062,1226 3.107,1227 4.053,1228 1.656,1229 10.262,1230 2.911,1231 1.94,1232 1.908,1233 2.043,1234 2.09,1235 1.369,1236 2.073,1237 1.87,1238 1.821,1239 2.013,1240 2.059,1241 1.292,1242 2.049,1243 1.819,1244 1.775,1245 1.986,1246 1.977,1247 1.242,1248 1.978,1249 1.741,1250 1.686,1251 1.953,1252 1.956,1253 1.1,1254 1.96,1255 1.696,1256 1.629,1257 1.87,1258 1.893,1259 0.944,1260 1.891,1261 1.455,1262 1.4,1263 1.64,1264 1.71,1265 0.894,1266 1.673,1267 1.292,1268 1.21,1269 1.549,1270 1.554,1271 0.825,1272 1.563,1273 1.246,1274 1.189,1275 1.534,1276 1.518,1277 0.825,1278 1.526,1279 4.554,1281 5.872,1283 7.386,1285 8.982,1287 10.618,1289 4.254,1295 9.183,1296 5.768,1297 11.206,1299 0.421,1300 6.764,1305 49.239,1306 126.906,1307 291.55,1308 402.534,1309 445.263,1310 450.018,1311 450.018,1312 69.528,1313 8.858,1314 120.87,1315 120.87,1316 36,1317 12.901,1318 4.322,1319 3.459,1320 61.994,1321 258,1322 290,1323 0.114,1324 298.044,1325 519.67,1326 718.987,1327 111171,1329 28.89,1330 0.688,1331 0.579,1332 28.89,1333 24.33,1334 20.513,1335 0.436,1336 0.314,1337 14.499,1338 19.477,1339 14.198,1340 11.67,1341 20.513,1342 14.778,1343 18.469,1344 0.284,1345 0.172,1346 18.469,1347 11.173,1348 15.564,1349 0.183,1350 0.095,1351 15.564,1352 8.086,1353 13.008,1354 0.118,1355 0.05,1356 13.008,1357 5.48,1358 10.898,1359 0.076,1360 0.026,1361 10.898,1362 3.8,1363 0.186,1364 129.961,1365 0.176,1366 38.159,1367 0.293,1368 224,1369 635.388,1370 251.371,1371 602.264,1372 831.87,1373 570,1374 262,1375 615.078,1376 290.152,1377 617.604,1378 908.81,1379 581,1380 6.658}
{0 CHEMBL1092042,1 1.538,2 17.476,3 3.439,4 11.827,5 160.47,6 6.985,7 0.383,8 4.507,9 4.64,10 4.029,11 3.972,12 5.501,13 3.959,14 5.102,15 5.3,16 4.387,17 4.383,18 6.071,19 4.344,20 5.369,21 5.6,22 4.438,23 4.572,24 6.257,25 4.491,26 5.437,27 5.698,28 4.386,29 4.566,30 6.335,31 4.46,32 5.386,33 5.654,34 4.385,35 4.505,36 6.351,37 4.418,38 5.234,39 5.457,40 4.362,41 4.49,42 6.164,43 4.412,44 5.282,45 5.497,46 4.367,47 4.568,48 6.191,49 4.468,50 5.453,51 5.7,52 4.312,53 4.623,54 6.313,55 4.471,56 0.024,57 1.272,58 18.737,59 6.966,60 9.8,61 10.137,62 0.602,63 2.036,64 37.158,65 11.658,66 46.468,67 17.241,68 0.595,69 2.501,70 49.288,71 15.034,72 51.307,73 23.185,74 0.506,75 2.56,76 53.44,77 16.193,78 65.168,79 25.604,80 0.826,81 2.402,82 51.743,83 14.465,84 87.994,85 23.201,86 0.423,87 2.245,88 42.351,89 13.866,90 49.1,91 20.904,92 0.549,93 2.363,94 43.918,95 15.46,96 48.013,97 22.93,98 0.47,99 2.501,100 53.26,101 20.439,102 64.383,103 29.424,104 10,105 65,106 0.233,107 0.53,108 0.719,109 0.802,110 0.824,111 0.827,112 3.764,113 0.952,114 -4.57,115 -4.49,116 -4.23,119 37.8,120 1,121 2,122 1,124 1,125 9,127 1,142 8,143 1,144 3,149 2,150 1,159 1,172 8,174 5,175 9,178 2,179 1,180 4,183 7,186 2,187 12,192 4,195 4,198 1,199 14,204 5,207 1,211 4,212 14,215 1,217 4,220 4,224 8,227 2,229 1,232 12,236 4,237 3,240 1,245 16,249 2,250 6,253 5,255 1,258 8,263 7,268 2,271 2,275 3928,276 28.825,277 28.825,278 28.825,279 28.825,280 28.825,281 26.663,282 45.029,283 17.143,284 29.72,285 23.251,286 23.251,287 23.251,288 23.251,289 23.251,290 19.861,291 65.866,292 8.225,293 24.669,294 4.82,295 2.858,296 1.613,297 1.061,298 0.921,299 0.896,300 4.481,306 1631,307 3.317,311 943.261,318 2.812,319 35.589,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 91,331 734,332 4.405,333 3.562,334 6.515,335 4.039,336 3.107,337 4.053,338 1.656,339 10.262,340 2.911,341 4.157,342 3.317,343 6.212,344 3.839,345 2.891,346 3.703,347 0.86,348 9.243,349 2.745,350 4.08,351 3.136,352 6.148,353 3.782,354 2.835,355 3.6,356 0.86,357 9.075,358 2.691,359 3.895,360 3.068,361 6.022,362 3.708,363 2.735,364 3.119,365 0.8,366 8.656,367 2.644,368 3.833,369 2.808,370 5.563,371 3.566,372 2.606,373 3.037,374 0.8,375 7.615,376 2.488,377 3.671,378 2.661,379 5.323,380 3.365,381 2.409,382 2.955,383 0.8,384 6.917,385 2.3,386 3.412,387 2.495,388 5.085,389 3.19,390 2.255,391 2.561,392 0.247,393 6.084,394 2.105,395 3.291,396 2.427,397 5.038,398 3.012,399 2.072,400 2.371,402 5.901,403 1.944,404 3.212,405 2.31,406 4.669,407 2.852,408 1.87,409 2.323,411 5.059,412 1.819,413 2.91,414 2.269,415 4.48,416 2.647,417 1.744,418 1.979,420 4.464,421 1.571,422 2.743,423 1.836,424 4.278,425 2.366,426 1.42,427 1.822,428 3.945,429 1.339,430 2.61,431 1.631,432 4.197,433 2.334,434 1.414,435 1.621,436 3.704,437 1.297,438 2.5,439 1.562,440 3.87,441 2.281,442 1.35,443 1.5,445 3.088,446 1.244,447 2.5,448 1.274,449 3.581,450 2,451 1.081,452 1.5,454 2.729,455 1,456 2.414,457 1.2,458 3.488,459 2,460 1,461 1.414,463 2.54,464 1,465 19.7,466 0.469,467 0.917,468 0.022,469 51,470 1.214,471 21.5,472 0.512,473 29.5,474 0.702,475 42.438,476 1.01,477 46.9,478 0.572,479 42.687,480 1.016,481 9.751,482 0.232,483 10.762,484 0.256,485 0.068,487 0.315,493 0.877,494 1.641,495 0.832,496 1.288,497 0.66,498 1.083,499 1.146,500 1.053,501 0.975,502 0.949,503 0.673,504 0.94,505 1.127,506 1.126,507 1.06,508 1.009,509 0.923,510 1.017,511 0.896,512 1.154,513 0.969,514 1.044,515 0.866,516 1.013,517 0.987,518 0.865,519 0.92,520 0.78,521 1.314,522 0.815,523 0.987,524 1.1,525 1.018,526 1.044,527 1.179,528 1.029,529 0.748,530 1.068,531 1.126,532 1.173,533 0.718,534 1.192,535 0.527,536 1.094,537 1,538 1.324,539 0.633,540 1.258,541 8,542 0.215,543 4.444,544 2.125,545 1.653,546 1.819,547 1.091,548 0.422,549 0.421,550 0.401,551 35803,552 79795,553 2.158,554 48.8,556 30,559 2,560 1,561 7,564 1.807,565 2.066,566 3.995,567 0.149,573 126.107,574 1.538,575 3.5,576 4.745,577 5.296,578 5.437,579 5.461,580 3.46,581 4.785,582 5.362,583 4.257,584 3665.48,585 9.456,586 69806.9,591 521.319,592 1.224,593 5.344,594 0.17,595 0.006,596 0.068,597 0.032,598 0.027,599 0.029,600 0.017,601 0.007,602 0.008,603 0.009,604 0.373,605 0.17,606 0.63,607 0.4,608 245.332,609 -0.023,610 -0.345,611 0.084,612 -0.143,613 -0.008,614 -0.032,615 0.029,616 0.105,617 0.015,618 0.063,619 0.114,620 0.033,621 -0.125,622 -0.046,623 -0.079,624 -0.011,625 -0.053,626 -0.035,627 -0.051,628 -0.136,629 0.005,630 -0.062,631 0.026,632 -0.025,633 0.014,634 0.155,635 0.081,636 0.159,637 -0.004,638 0.141,639 -0.094,640 0.007,641 -0.058,642 -0.015,643 -0.091,644 -0.027,645 0.027,646 0.062,647 -0.188,648 -0.113,649 -0.036,650 -0.169,651 0.171,652 -0.118,653 -0.064,654 -0.247,655 0.117,656 -0.203,657 1.958,658 5.733,659 0.857,660 60.762,661 0.999,662 1.137,663 3.34,664 11.159,665 0.641,666 3.871,667 4.19,668 4.454,669 4.71,670 4.977,671 5.05,672 5.236,673 5.371,674 5.493,675 5.617,676 10.118,677 0.607,678 572.79,679 3.871,680 5.416,681 6.263,682 7.133,683 7.994,684 8.868,685 9.735,686 10.613,687 11.484,688 12.363,689 9.8,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 82,733 19,734 2,735 47,737 87,738 31,739 15,740 4,741 8,746 6,747 6,751 1,752 1,755 3,756 1,758 3,761 16,762 15,763 1,766 1,771 1,775 1,781 40,782 11,783 2,784 11,790 8,794 1,795 3,812 6,836 1,839 2,840 6,844 2,848 42,854 11,855 2,856 2,858 2,859 3,870 3.7,873 1,874 2,877 20.333,878 15.033,879 9.139,880 5.132,881 3.408,882 1.385,883 0.982,884 9.275,885 12.266,886 4.06,887 4.58,888 5.083,889 5.624,890 6.175,891 6.426,892 6.859,893 7.212,894 7.505,895 7.853,896 1,897 67,898 15.609,900 6.635,901 7.56,902 30.547,904 25.496,905 2.06,906 86.5,910 447.302,911 149.285,912 95.751,914 47.145,917 149.285,918 494.447,919 95.751,920 17.222,921 69.989,922 75.81,923 97.501,924 25.485,925 6.175,926 447.302,928 447.302,929 245.036,930 47.145,933 369.56,934 107.543,935 22,937 83.837,938 106.187,939 50.357,941 447.302,942 142.896,943 149.285,946 447.302,947 56.254,948 102.405,949 36.022,950 97.501,951 447.302,952 142.896,953 149.285,955 0.58,956 0.334,957 0.18,958 0.102,959 31,960 13,961 0.069,962 6,964 1,965 5.293,966 423.874,968 36,969 210.477,974 28.965,975 13.449,976 7.275,978 142.896,979 15.642,980 14.683,984 5.627,986 36.022,987 739.483,988 57,993 12.733,997 -0.291,999 81.934,1000 93.258,1001 0.242,1002 0.551,1003 0.746,1004 0.833,1005 0.855,1006 0.859,1007 5.316,1008 2.072,1009 6.232,1010 6.084,1011 4.875,1012 5.268,1013 2.454,1014 7.011,1015 4.765,1016 6.472,1017 1.87,1018 7.768,1019 5.901,1020 4.369,1021 4.924,1022 1.494,1023 7.818,1024 4.214,1025 7.749,1026 1.744,1027 9.399,1028 5.059,1029 6.441,1030 7.309,1031 2.692,1032 10.902,1033 6.225,1034 9.053,1035 1.42,1036 11.088,1037 4.464,1038 6.746,1039 7.763,1040 2.41,1041 12.536,1042 6.483,1043 10.39,1044 1.414,1045 12.814,1046 3.945,1047 8.265,1048 9.645,1049 3.334,1050 15.113,1051 7.945,1052 11.748,1053 1.35,1054 14.566,1055 3.704,1056 8.958,1057 10.486,1058 3.427,1059 17.099,1060 8.583,1061 13.122,1062 1.081,1063 16.336,1064 3.088,1065 10.235,1066 12.137,1067 4.182,1068 19.489,1069 9.805,1070 3.107,1071 1,1072 18.121,1073 2.729,1074 11.124,1075 13.192,1076 4.469,1077 21.635,1078 10.635,1079 2.891,1080 10.262,1081 19.916,1082 2.54,1083 12.291,1084 14.722,1085 5.119,1086 23.956,1087 11.747,1088 2.835,1089 9.243,1090 21.72,1091 4.053,1092 13.28,1093 15.903,1094 5.505,1095 26.176,1096 12.673,1097 2.735,1098 9.075,1099 23.531,1100 3.703,1101 14.4,1102 17.365,1103 6.093,1104 28.474,1105 13.736,1106 2.606,1107 8.656,1108 25.348,1109 3.6,1110 15.441,1111 18.624,1112 6.531,1113 30.731,1114 14.712,1115 2.409,1116 7.615,1117 27.169,1118 3.119,1119 16.544,1120 20.048,1121 7.084,1122 33.024,1123 15.755,1124 2.255,1125 6.917,1126 28.995,1127 3.037,1128 17.612,1129 21.354,1130 7.551,1131 35.302,1132 16.758,1133 32788,1134 49193,1135 32.304,1136 52.591,1137 70.401,1138 71.431,1139 71.271,1140 69.914,1141 69.909,1142 84.138,1143 12.046,1144 197.345,1145 66.046,1146 5.405,1147 5.562,1148 6.317,1149 5.143,1150 5.107,1151 7.053,1152 2.912,1153 17.086,1154 4.911,1155 16.142,1156 1.498,1157 1.52,1158 1.516,1159 1.488,1160 1.487,1161 1.79,1162 0.256,1163 4.199,1164 1.405,1165 4.036,1166 4.083,1167 3.988,1168 3.914,1169 7.431,1170 3.924,1171 3.948,1172 3.996,1173 3.889,1174 3.844,1175 5.071,1176 3.848,1177 3.854,1178 3.897,1179 3.781,1180 3.719,1181 4.766,1182 3.727,1183 3.784,1184 3.835,1185 3.664,1186 3.598,1187 4.696,1188 3.607,1189 3.743,1190 3.808,1191 3.631,1192 3.558,1193 4.614,1194 3.566,1195 3.565,1196 3.62,1197 3.49,1198 3.335,1199 4.589,1200 3.369,1201 3.393,1202 3.443,1203 3.334,1204 3.116,1205 4.355,1206 3.165,1207 3.264,1208 3.351,1209 3.037,1210 3.085,1211 4.054,1212 3.063,1213 0.094,1214 0.076,1215 0.139,1216 0.086,1217 0.066,1218 4.405,1219 0.086,1220 3.562,1221 0.035,1222 6.515,1223 0.218,1224 4.039,1225 0.062,1226 3.107,1227 4.053,1228 1.656,1229 10.262,1230 2.911,1231 1.943,1232 1.91,1233 2.05,1234 2.091,1235 1.369,1236 2.075,1237 1.917,1238 1.881,1239 2.04,1240 2.066,1241 1.304,1242 2.062,1243 1.819,1244 1.776,1245 1.987,1246 1.977,1247 1.242,1248 1.978,1249 1.741,1250 1.686,1251 1.953,1252 1.956,1253 1.101,1254 1.96,1255 1.708,1256 1.638,1257 1.908,1258 1.9,1259 1.049,1260 1.907,1261 1.456,1262 1.401,1263 1.64,1264 1.712,1265 0.894,1266 1.674,1267 1.292,1268 1.212,1269 1.55,1270 1.558,1271 0.825,1272 1.564,1273 1.255,1274 1.198,1275 1.534,1276 1.518,1277 0.825,1278 1.529,1279 4.554,1281 5.872,1283 7.386,1285 8.982,1287 10.618,1289 4.278,1295 9.417,1296 5.859,1297 11.213,1299 0.431,1300 6.908,1305 49.744,1306 126.107,1307 286.993,1308 389.08,1309 434.3,1310 445.809,1311 447.809,1312 68.959,1313 8.858,1314 107.98,1315 107.98,1316 36,1317 12.901,1318 4.322,1319 3.459,1320 61.994,1321 258,1322 290,1323 0.114,1324 300.842,1325 525.97,1326 725.814,1327 111171,1329 28.89,1330 0.688,1331 0.582,1332 28.89,1333 24.46,1334 20.513,1335 0.436,1336 0.317,1337 14.655,1338 19.54,1339 14.34,1340 11.79,1341 20.513,1342 14.918,1343 18.469,1344 0.284,1345 0.174,1346 18.469,1347 11.315,1348 15.564,1349 0.183,1350 0.097,1351 15.564,1352 8.246,1353 13.008,1354 0.118,1355 0.051,1356 13.008,1357 5.617,1358 10.898,1359 0.076,1360 0.027,1361 10.898,1362 3.912,1363 0.186,1364 129.507,1365 0.176,1366 38.159,1367 0.293,1368 224,1369 615.743,1370 249.595,1371 585.035,1372 809.47,1373 554,1374 262,1375 598.613,1376 288.126,1377 602.144,1378 886.03,1379 567,1380 6.383}
{0 CHEMBL1092043,1 1.552,2 16.756,3 2.903,4 8.429,5 155.176,6 7.073,7 0.391,8 4.475,9 4.607,10 4.005,11 3.943,12 5.476,13 3.933,14 5.065,15 5.256,16 4.359,17 4.353,18 6.051,19 4.313,20 5.34,21 5.579,22 4.406,23 4.525,24 6.232,25 4.447,26 5.362,27 5.616,28 4.362,29 4.509,30 6.287,31 4.415,32 5.32,33 5.574,34 4.369,35 4.47,36 6.319,37 4.391,38 5.218,39 5.443,40 4.335,41 4.463,42 6.151,43 4.385,44 5.252,45 5.471,46 4.335,47 4.526,48 6.157,49 4.428,50 5.404,51 5.648,52 4.29,53 4.58,54 6.275,55 4.435,56 0.032,57 1.232,58 17.826,59 6.673,60 9.385,61 9.616,62 0.567,63 1.971,64 35.263,65 11.376,66 46.104,67 16.574,68 0.619,69 2.406,70 48.081,71 14.346,72 53.281,73 22.189,74 0.499,75 2.414,76 49.309,77 14.774,78 62.306,79 23.265,80 0.768,81 2.301,82 47.818,83 13.649,84 84.665,85 21.558,86 0.43,87 2.198,88 41.549,89 13.537,90 50.189,91 20.367,92 0.558,93 2.277,94 42.515,95 14.78,96 47.503,97 21.937,98 0.46,99 2.395,100 50.52,101 19.42,102 62.547,103 27.854,104 5,105 63,106 0.237,107 0.54,108 0.716,109 0.803,110 0.825,111 0.829,112 3.741,113 0.949,114 -4.38,115 -4.31,116 -4.07,119 38,120 1,121 2,122 1,125 9,127 1,142 8,143 1,144 3,149 2,150 1,159 1,172 8,174 5,175 9,178 2,179 1,180 4,183 7,186 1,187 12,190 1,192 4,195 4,198 1,199 14,204 5,207 1,211 4,212 12,215 1,217 6,220 4,224 6,227 2,229 3,232 12,236 4,237 3,240 1,245 16,249 2,250 6,253 4,254 1,255 1,258 8,263 7,268 2,271 2,275 3705,276 28.377,277 28.377,278 28.377,279 28.377,280 28.377,281 26.216,282 44.838,283 17.056,284 29.23,285 22.785,286 22.785,287 22.785,288 22.785,289 22.785,290 19.395,291 65.652,292 8.189,293 24.138,294 4.752,295 2.763,296 1.614,297 1.041,298 0.896,299 0.87,300 4.459,306 1531,307 3.24,311 913.86,318 2.664,319 36.07,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 89,331 687,332 4.405,333 3.562,334 6.515,335 4.039,336 3.107,337 4.053,338 1.656,339 10.262,340 2.911,341 4.155,342 3.317,343 6.212,344 3.827,345 2.877,346 3.703,347 0.86,348 9.243,349 2.738,350 4.08,351 3.108,352 6.143,353 3.782,354 2.834,355 3.6,356 0.86,357 9.057,358 2.69,359 3.894,360 3.068,361 6.022,362 3.708,363 2.734,364 3.118,365 0.8,366 8.656,367 2.644,368 3.829,369 2.808,370 5.562,371 3.556,372 2.596,373 3.036,374 0.8,375 7.613,376 2.479,377 3.66,378 2.527,379 5.32,380 3.334,381 2.373,382 2.951,383 0.4,384 6.909,385 2.275,386 3.366,387 2.452,388 5.085,389 3.031,390 2.083,391 2.546,392 0.247,393 5.905,394 1.974,395 3.226,396 2.312,397 4.686,398 2.902,399 1.933,400 2.34,402 5.118,403 1.858,404 2.946,405 2.269,406 4.487,407 2.7,408 1.752,409 2.005,411 4.492,412 1.667,413 2.909,414 2.013,415 4.401,416 2.645,417 1.725,418 1.972,420 4.362,421 1.571,422 2.741,423 1.836,424 4.2,425 2.337,426 1.414,427 1.819,428 3.719,429 1.3,430 2.5,431 1.562,432 3.87,433 2.289,434 1.366,435 1.5,436 3.088,437 1.249,438 2.5,439 1.45,440 3.581,441 2.077,442 1.15,443 1.5,445 2.73,446 1.063,447 2.414,448 1.274,449 3.502,450 2,451 1.079,452 1.414,454 2.69,455 1,456 2.256,457 1.2,458 3.488,459 2,460 1,461 1.241,463 2.54,464 1,465 19.2,466 0.468,467 0.811,468 0.02,469 50.25,470 1.226,471 21.5,472 0.524,473 28.75,474 0.701,475 40.48,476 0.987,477 45.6,478 0.577,479 41.44,480 1.011,481 9.581,482 0.234,483 10.538,484 0.257,485 0.043,487 0.302,493 0.892,494 1.586,495 0.826,496 1.25,497 0.665,498 1.054,499 1.106,500 1.103,501 0.986,502 1.012,503 0.69,504 0.99,505 1.121,506 1.081,507 1.021,508 0.951,509 0.915,510 0.961,511 0.942,512 1.144,513 0.979,514 1.025,515 0.894,516 0.999,517 0.991,518 0.927,519 0.959,520 0.846,521 1.355,522 0.875,523 0.975,524 1.099,525 1.023,526 1.051,527 1.17,528 1.037,529 0.745,530 1.037,531 1.104,532 1.14,533 0.704,534 1.162,535 0.534,536 1.089,537 0.997,538 1.326,539 0.621,540 1.259,541 7,542 0.182,543 4,544 2.063,545 1.462,546 1.708,547 1.01,548 0.406,549 0.376,550 0.39,551 33438,552 76158,553 2.177,554 48.1,556 27,559 3,560 1,561 7,564 1.802,565 2.103,566 3.944,567 0.764,573 122.616,574 1.552,575 3.541,576 4.69,577 5.262,578 5.408,579 5.433,580 3.353,581 4.851,582 5.327,583 4.206,584 3449.01,585 9.39,586 64172.9,591 497.999,592 1.128,593 5.316,594 0.152,595 0.005,596 0.063,597 0.032,598 0.024,599 0.028,600 0.017,601 0.007,602 0.007,603 0.009,604 0.343,605 0.17,606 0.63,607 0.343,608 237.314,609 -0.043,610 -0.296,611 0.076,612 -0.114,613 -0.014,614 -0.016,615 0.038,616 0.051,617 -0.011,618 0.01,619 0.101,620 -0.015,621 -0.119,622 -0.024,623 -0.038,624 0.032,625 -0.046,626 0.013,627 -0.075,628 -0.112,629 -0.004,630 -0.046,631 0.014,632 -0.016,633 0.005,634 0.116,635 0.034,636 0.108,637 -0.025,638 0.086,639 -0.095,640 -0.005,641 -0.066,642 -0.029,643 -0.098,644 -0.039,645 0.03,646 0.076,647 -0.168,648 -0.092,649 -0.029,650 -0.146,651 0.172,652 -0.113,653 -0.062,654 -0.248,655 0.127,656 -0.204,657 1.96,658 5.694,659 0.878,660 57.643,661 1.001,662 1.137,663 3.15,664 9.924,665 0.643,666 3.85,667 4.159,668 4.431,669 4.691,670 4.949,671 5.011,672 5.215,673 5.352,674 5.46,675 5.587,676 9.814,677 0.61,678 558.76,679 3.85,680 5.389,681 6.236,682 7.104,683 7.965,684 8.838,685 9.704,686 10.581,687 11.452,688 12.331,689 10.1,691 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 79,733 19,734 2,735 46,737 84,738 30,739 15,740 4,741 8,746 6,747 6,751 1,752 1,755 3,756 1,758 3,761 16,762 14,763 1,766 1,771 1,775 1,781 38,782 11,783 3,784 11,790 8,794 1,795 3,812 6,835 1,839 2,840 6,844 1,848 41,854 11,855 3,856 2,858 2,859 2,870 3.8,873 1,874 2,877 19.5,878 14.083,879 8.972,880 4.982,881 3.391,882 1.386,883 0.988,884 9.042,885 12.165,886 4.043,887 4.559,888 5.07,889 5.617,890 6.167,891 6.413,892 6.849,893 7.202,894 7.486,895 7.836,896 0.909,897 65,898 15.235,900 6.496,901 7.573,902 29.765,904 24.874,905 2.073,906 85,910 411.989,911 140.889,912 110.637,914 47.145,917 140.889,918 459.133,919 110.637,920 8.825,921 69.989,922 93.821,923 97.501,924 22.36,925 6.175,926 411.989,928 411.989,929 251.526,930 47.145,933 334.247,934 107.543,935 22,937 98.724,938 97.79,939 50.357,941 411.989,942 157.782,943 140.889,946 411.989,947 56.254,948 90.884,949 54.032,950 97.501,951 411.989,952 157.782,953 140.889,955 0.575,956 0.334,957 0.184,958 0.102,959 30,960 12,961 0.071,962 6,964 1,965 5.233,966 411.176,968 36,969 201.66,974 28.012,975 13.235,976 7.028,978 157.782,979 15.582,980 14.669,984 5.609,986 54.032,987 710.66,988 56,993 12.694,997 -0.293,999 79.05,1000 89.843,1001 0.246,1002 0.562,1003 0.744,1004 0.835,1005 0.858,1006 0.862,1007 5.291,1008 1.933,1009 6.196,1010 5.905,1011 4.844,1012 5.247,1013 2.398,1014 6.973,1015 4.737,1016 6.442,1017 1.752,1018 7.727,1019 5.118,1020 4.29,1021 4.879,1022 1.404,1023 7.774,1024 4.147,1025 7.717,1026 1.725,1027 9.357,1028 4.492,1029 6.402,1030 7.293,1031 2.664,1032 10.872,1033 6.192,1034 9.021,1035 1.414,1036 11.046,1037 4.362,1038 6.686,1039 7.741,1040 2.382,1041 12.515,1042 6.434,1043 10.359,1044 1.366,1045 12.775,1046 3.719,1047 8.227,1048 9.635,1049 3.325,1050 15.095,1051 7.914,1052 11.719,1053 1.15,1054 14.531,1055 3.088,1056 8.912,1057 10.476,1058 3.421,1059 17.088,1060 8.548,1061 13.096,1062 1.079,1063 16.305,1064 2.73,1065 10.2,1066 12.132,1067 4.179,1068 19.479,1069 9.779,1070 3.107,1071 1,1072 18.094,1073 2.69,1074 11.087,1075 13.187,1076 4.467,1077 21.628,1078 10.608,1079 2.877,1080 10.262,1081 19.893,1082 2.54,1083 12.26,1084 14.719,1085 5.118,1086 23.949,1087 11.725,1088 2.834,1089 9.243,1090 21.7,1091 4.053,1092 13.25,1093 15.901,1094 5.504,1095 26.171,1096 12.652,1097 2.734,1098 9.057,1099 23.514,1100 3.703,1101 14.374,1102 17.364,1103 6.093,1104 28.469,1105 13.718,1106 2.596,1107 8.656,1108 25.333,1109 3.6,1110 15.415,1111 18.622,1112 6.531,1113 30.727,1114 14.695,1115 2.373,1116 7.613,1117 27.157,1118 3.118,1119 16.52,1120 20.048,1121 7.084,1122 33.02,1123 15.739,1124 2.083,1125 6.909,1126 28.984,1127 3.036,1128 17.589,1129 21.354,1130 7.551,1131 35.298,1132 16.743,1133 30497,1134 46240,1135 31.898,1136 50.83,1137 68.613,1138 69.909,1139 69.189,1140 68.29,1141 68.312,1142 82.545,1143 11.246,1144 191.12,1145 64.626,1146 5.405,1147 5.562,1148 6.317,1149 5.143,1150 5.107,1151 7.053,1152 2.912,1153 17.086,1154 4.911,1155 12.555,1156 1.492,1157 1.52,1158 1.504,1159 1.485,1160 1.485,1161 1.794,1162 0.244,1163 4.155,1164 1.405,1165 4.034,1166 4.081,1167 3.987,1168 3.913,1169 7.431,1170 3.923,1171 3.945,1172 3.992,1173 3.887,1174 3.843,1175 5.071,1176 3.847,1177 3.853,1178 3.896,1179 3.78,1180 3.719,1181 4.767,1182 3.727,1183 3.784,1184 3.835,1185 3.664,1186 3.597,1187 4.696,1188 3.607,1189 3.714,1190 3.784,1191 3.597,1192 3.524,1193 4.614,1194 3.53,1195 3.563,1196 3.619,1197 3.487,1198 3.335,1199 4.589,1200 3.368,1201 3.383,1202 3.429,1203 3.324,1204 3.106,1205 4.37,1206 3.156,1207 3.264,1208 3.351,1209 3.037,1210 3.083,1211 4.051,1212 3.063,1213 0.096,1214 0.077,1215 0.142,1216 0.088,1217 0.068,1218 4.405,1219 0.088,1220 3.562,1221 0.036,1222 6.515,1223 0.223,1224 4.039,1225 0.063,1226 3.107,1227 4.053,1228 1.656,1229 10.262,1230 2.911,1231 1.942,1232 1.91,1233 2.047,1234 2.09,1235 1.369,1236 2.074,1237 1.915,1238 1.88,1239 2.038,1240 2.06,1241 1.275,1242 2.057,1243 1.819,1244 1.776,1245 1.986,1246 1.974,1247 1.242,1248 1.976,1249 1.741,1250 1.686,1251 1.953,1252 1.956,1253 1.101,1254 1.96,1255 1.679,1256 1.607,1257 1.888,1258 1.882,1259 1.037,1260 1.888,1261 1.455,1262 1.401,1263 1.64,1264 1.71,1265 0.894,1266 1.673,1267 1.292,1268 1.21,1269 1.543,1270 1.543,1271 0.825,1272 1.563,1273 1.237,1274 1.189,1275 1.513,1276 1.518,1277 0.825,1278 1.496,1279 4.533,1281 5.844,1283 7.354,1285 8.949,1287 10.584,1289 2.128,1295 9.229,1296 9.204,1297 11.205,1299 0.432,1300 4.541,1305 48.218,1306 122.616,1307 279.742,1308 370.515,1309 415.734,1310 427.244,1311 429.244,1312 66.317,1313 8.774,1314 116.77,1315 116.77,1316 36,1317 12.869,1318 4.322,1319 3.459,1320 59.747,1321 243,1322 264,1323 0.116,1324 291.249,1325 508.67,1326 702.409,1327 99732,1329 28.02,1330 0.683,1331 0.573,1332 28.02,1333 23.512,1334 20.119,1335 0.437,1336 0.316,1337 14.295,1338 19.182,1339 14.052,1340 11.528,1341 20.119,1342 14.545,1343 17.847,1344 0.283,1345 0.171,1346 17.847,1347 10.762,1348 15.154,1349 0.183,1350 0.095,1351 15.154,1352 7.86,1353 12.856,1354 0.119,1355 0.051,1356 12.856,1357 5.476,1358 10.673,1359 0.076,1360 0.027,1361 10.673,1362 3.728,1363 0.189,1364 126.947,1365 0.177,1366 37.382,1367 0.3,1368 218,1369 604.431,1370 243.234,1371 573.899,1372 795.27,1373 544,1374 255,1375 588.98,1376 280.294,1377 590.343,1378 870.42,1379 558,1380 6.57}
{0 CHEMBL1092044,1 1.511,2 18.318,3 3.593,4 12.907,5 169.871,6 6.828,7 0.367,8 4.569,9 4.704,10 4.07,11 4.036,12 5.549,13 4.015,14 5.169,15 5.371,16 4.429,17 4.452,18 6.113,19 4.404,20 5.445,21 5.679,22 4.495,23 4.65,24 6.313,25 4.562,26 5.541,27 5.807,28 4.451,29 4.667,30 6.411,31 4.55,32 5.512,33 5.786,34 4.43,35 4.616,36 6.43,37 4.505,38 5.376,39 5.631,40 4.395,41 4.563,42 6.24,43 4.468,44 5.321,45 5.536,46 4.421,47 4.616,48 6.226,49 4.518,50 5.499,51 5.74,52 4.376,53 4.691,54 6.369,55 4.542,56 0.042,57 1.348,58 20.563,59 7.618,60 11.071,61 11.192,62 0.624,63 2.165,64 40.274,65 12.798,66 47.925,67 19.083,68 0.589,69 2.694,70 53.512,71 16.434,72 53.377,73 25.635,74 0.605,75 2.82,76 59.521,77 18.122,78 68.33,79 28.74,80 0.837,81 2.67,82 58.584,83 17.231,84 91.838,85 27.503,86 0.539,87 2.453,88 50.182,89 15.786,90 56.645,91 24.465,92 0.57,93 2.469,94 46.205,95 16.18,96 48.373,97 24.178,98 0.471,99 2.664,100 55.668,101 21.351,102 65.156,103 30.85,104 18,105 68,106 0.226,107 0.519,108 0.719,109 0.796,110 0.816,111 0.819,112 3.81,113 0.968,114 -4.94,115 -4.85,116 -4.55,119 37.5,120 1,121 4,122 1,124 2,125 7,127 2,142 8,143 1,144 3,149 2,150 1,159 1,172 8,174 5,175 13,178 2,179 1,180 4,183 8,186 1,187 12,192 4,195 4,198 2,199 14,204 5,207 5,211 4,212 12,215 1,217 4,220 8,224 8,227 2,229 1,232 12,236 4,237 5,240 1,242 2,245 16,249 2,250 6,253 4,255 1,258 8,263 9,266 1,268 4,271 2,275 4368,276 30.032,277 30.032,278 30.032,279 30.032,280 30.032,281 27.87,282 49.118,283 17.778,284 30.917,285 24.219,286 24.219,287 24.219,288 24.219,289 24.219,290 20.829,291 75.437,292 8.484,293 25.626,294 4.948,295 2.991,296 1.651,297 1.134,298 1.003,299 0.98,300 4.523,306 1780,307 3.742,311 1003.23,318 2.971,319 36.292,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 95,331 806,332 4.405,333 3.562,334 6.515,335 4.039,336 3.107,337 4.053,338 1.656,339 10.262,340 2.911,341 4.159,342 3.317,343 6.212,344 3.865,345 2.916,346 3.703,347 0.86,348 9.243,349 2.77,350 4.08,351 3.146,352 6.162,353 3.784,354 2.835,355 3.6,356 0.86,357 9.109,358 2.693,359 3.896,360 3.068,361 6.022,362 3.711,363 2.74,364 3.12,365 0.8,366 8.656,367 2.645,368 3.844,369 2.899,370 5.889,371 3.641,372 2.682,373 3.037,374 0.8,375 8.078,376 2.57,377 3.732,378 2.808,379 5.561,380 3.521,381 2.567,382 2.961,383 0.8,384 7.606,385 2.442,386 3.614,387 2.516,388 5.319,389 3.312,390 2.355,391 2.715,392 0.247,393 6.903,394 2.248,395 3.352,396 2.445,397 5.085,398 3.022,399 2.078,400 2.528,402 5.905,403 1.96,404 3.222,405 2.311,406 4.682,407 2.873,408 1.893,409 2.338,411 5.096,412 1.837,413 2.911,414 2.269,415 4.484,416 2.647,417 1.745,418 1.98,420 4.472,421 1.572,422 2.785,423 1.836,424 4.377,425 2.543,426 1.582,427 1.835,428 4.218,429 1.513,430 2.737,431 1.788,432 4.2,433 2.337,434 1.414,435 1.798,436 3.717,437 1.299,438 2.5,439 1.562,440 3.87,441 2.287,442 1.363,443 1.5,445 3.088,446 1.248,447 2.5,448 1.322,449 3.725,450 2.05,451 1.106,452 1.5,454 2.74,455 1.041,456 2.414,457 1.274,458 3.581,459 2,460 1.078,461 1.414,463 2.725,464 1,465 20.7,466 0.47,467 1.006,468 0.023,469 52,470 1.182,471 21.5,472 0.489,473 30.5,474 0.693,475 47,476 1.068,477 49.5,478 0.562,479 44.063,480 1.001,481 9.775,482 0.222,483 11.649,484 0.265,485 0.089,487 0.324,493 0.874,494 1.636,495 0.858,496 1.299,497 0.671,498 1.104,499 1.13,500 1.056,501 0.973,502 0.96,503 0.662,504 0.948,505 1.126,506 1.178,507 1.059,508 1.037,509 0.91,510 1.033,511 0.904,512 1.1,513 0.991,514 1.025,515 0.848,516 1.011,517 0.894,518 0.928,519 0.924,520 0.869,521 1.228,522 0.885,523 0.949,524 0.97,525 0.931,526 0.909,527 1.08,528 0.906,529 0.768,530 1.076,531 1.106,532 1.149,533 0.713,534 1.162,535 0.577,536 1.157,537 1.044,538 1.353,539 0.668,540 1.288,541 8.5,542 0.215,543 4.889,544 2.375,545 1.733,546 1.944,547 1.173,548 0.484,549 0.446,550 0.452,551 40913,552 87909,553 2.136,554 50,556 30,559 2,560 1,561 7,562 4,564 1.817,565 2.031,566 4.062,567 0.126,573 132.995,574 1.511,575 3.468,576 4.808,577 5.326,578 5.456,579 5.479,580 3.511,581 4.681,582 5.429,583 4.345,584 4110.18,585 9.585,586 82085.2,591 568.43,592 1.289,593 5.405,594 0.173,595 0.005,596 0.072,597 0.033,598 0.026,599 0.03,600 0.018,601 0.007,602 0.008,603 0.01,604 0.383,605 0.17,606 0.63,607 0.563,608 261.509,609 -0.013,610 -0.328,611 0.083,612 -0.134,613 -0.007,614 -0.03,615 0.047,616 0.105,617 0.029,618 0.066,619 0.128,620 0.04,621 -0.124,622 -0.09,623 -0.073,624 -0.029,625 -0.044,626 -0.042,627 -0.049,628 -0.074,629 -0.013,630 -0.045,631 0.024,632 -0.025,633 0.047,634 0.076,635 0.068,636 0.087,637 0.013,638 0.085,639 -0.059,640 0.081,641 0.048,642 0.089,643 -0.045,644 0.088,645 0.034,646 0.071,647 -0.154,648 -0.083,649 -0.014,650 -0.132,651 0.136,652 -0.146,653 -0.107,654 -0.267,655 0.095,656 -0.231,657 1.956,658 5.797,659 0.818,660 67.785,661 0.997,662 1.137,663 3.714,664 13.792,665 0.638,666 3.912,667 4.234,668 4.5,669 4.745,670 5.004,671 5.1,672 5.298,673 5.407,674 5.525,675 5.673,676 10.722,677 0.6,678 600.85,679 3.912,680 5.46,681 6.308,682 7.179,683 8.04,684 8.915,685 9.783,686 10.66,687 11.531,688 12.411,689 9.1,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 88,733 19,734 2,735 49,737 93,738 33,739 15,740 4,741 8,746 6,747 6,751 1,752 1,755 6,756 1,758 6,761 16,762 17,763 1,766 1,771 1,775 1,781 44,782 11,783 2,784 11,790 8,794 1,795 3,812 6,836 1,839 2,840 6,844 3,848 44,854 11,855 2,856 2,858 3,859 3,870 3.4,873 1,874 2,877 21.667,878 16.367,879 9.583,880 5.532,881 3.434,882 1.381,883 0.971,884 10.046,885 12.442,886 4.094,887 4.61,888 5.107,889 5.639,890 6.184,891 6.439,892 6.875,893 7.226,894 7.52,895 7.879,896 0.917,897 71,898 16.361,900 6.934,901 7.542,902 32.12,904 26.867,905 2.042,906 89.833,910 494.386,911 158.539,912 95.751,914 47.145,917 158.539,918 541.531,919 95.751,920 25.618,921 70.846,922 75.81,923 97.501,924 25.485,925 6.175,926 494.386,928 494.386,929 254.29,930 47.145,933 369.56,934 154.627,935 22,937 84.695,938 114.583,939 50.357,941 494.386,942 142.896,943 158.539,946 494.386,947 57.111,948 110.801,949 36.022,950 97.501,951 494.386,952 142.896,953 158.539,955 0.582,956 0.336,957 0.178,958 0.098,959 32,960 14,961 0.075,962 7,964 1,965 5.432,966 448.535,968 36,969 222.215,974 30.877,975 14.315,976 7.76,978 142.896,979 15.721,980 14.705,984 5.647,986 36.022,987 795.821,988 59,993 12.797,997 -0.289,999 87.701,1000 100.088,1001 0.234,1002 0.537,1003 0.744,1004 0.824,1005 0.845,1006 0.848,1007 5.354,1008 2.078,1009 6.282,1010 6.903,1011 4.92,1012 5.298,1013 2.454,1014 7.067,1015 4.814,1016 6.511,1017 1.893,1018 7.824,1019 5.905,1020 4.443,1021 4.966,1022 1.494,1023 7.897,1024 4.291,1025 7.789,1026 1.745,1027 9.463,1028 5.096,1029 6.494,1030 7.332,1031 2.692,1032 10.972,1033 6.287,1034 9.094,1035 1.582,1036 11.159,1037 4.472,1038 6.825,1039 7.792,1040 2.41,1041 12.616,1042 6.567,1043 10.432,1044 1.414,1045 12.892,1046 4.218,1047 8.33,1048 9.662,1049 3.334,1050 15.183,1051 8.02,1052 11.79,1053 1.363,1054 14.649,1055 3.717,1056 9.039,1057 10.504,1058 3.427,1059 17.169,1060 8.672,1061 13.164,1062 1.106,1063 16.423,1064 3.088,1065 10.307,1066 12.148,1067 4.182,1068 19.55,1069 9.889,1070 3.107,1071 1.078,1072 18.21,1073 2.74,1074 11.204,1075 13.202,1076 4.469,1077 21.691,1078 10.725,1079 2.916,1080 10.262,1081 20.007,1082 2.725,1083 12.366,1084 14.729,1085 5.119,1086 24.005,1087 11.834,1088 2.835,1089 9.243,1090 21.811,1091 4.053,1092 13.358,1093 15.909,1094 5.505,1095 26.22,1096 12.762,1097 2.74,1098 9.109,1099 23.622,1100 3.703,1101 14.474,1102 17.369,1103 6.093,1104 28.511,1105 13.823,1106 2.682,1107 8.656,1108 25.437,1109 3.6,1110 15.515,1111 18.627,1112 6.531,1113 30.764,1114 14.799,1115 2.567,1116 8.078,1117 27.256,1118 3.12,1119 16.614,1120 20.051,1121 7.084,1122 33.052,1123 15.84,1124 2.355,1125 7.606,1126 29.079,1127 3.037,1128 17.681,1129 21.356,1130 7.551,1131 35.326,1132 16.841,1133 37730,1134 55627,1135 33.402,1136 56.114,1137 73.659,1138 74.727,1139 74.733,1140 73.211,1141 73.206,1142 87.437,1143 12.046,1144 207.393,1145 69.34,1146 5.405,1147 5.562,1148 6.317,1149 5.143,1150 5.107,1151 7.053,1152 2.912,1153 17.086,1154 4.911,1155 19.505,1156 1.503,1157 1.525,1158 1.525,1159 1.494,1160 1.494,1161 1.784,1162 0.246,1163 4.233,1164 1.415,1165 4.04,1166 4.087,1167 3.99,1168 3.919,1169 7.431,1170 3.927,1171 3.956,1172 4.004,1173 3.894,1174 3.851,1175 5.071,1176 3.854,1177 3.856,1178 3.9,1179 3.782,1180 3.72,1181 4.766,1182 3.728,1183 3.789,1184 3.843,1185 3.682,1186 3.654,1187 4.696,1188 3.652,1189 3.784,1190 3.835,1191 3.664,1192 3.597,1193 4.614,1194 3.606,1195 3.568,1196 3.624,1197 3.494,1198 3.336,1199 4.589,1200 3.37,1201 3.453,1202 3.541,1203 3.358,1204 3.198,1205 4.382,1206 3.217,1207 3.356,1208 3.411,1209 3.226,1210 3.095,1211 4.123,1212 3.124,1213 0.09,1214 0.073,1215 0.133,1216 0.082,1217 0.063,1218 4.405,1219 0.083,1220 3.562,1221 0.034,1222 6.515,1223 0.209,1224 4.039,1225 0.059,1226 3.107,1227 4.053,1228 1.656,1229 10.262,1230 2.911,1231 1.945,1232 1.911,1233 2.077,1234 2.091,1235 1.418,1236 2.083,1237 1.927,1238 1.89,1239 2.043,1240 2.076,1241 1.369,1242 2.07,1243 1.82,1244 1.776,1245 1.988,1246 1.981,1247 1.242,1248 1.981,1249 1.777,1250 1.722,1251 1.954,1252 1.956,1253 1.102,1254 1.96,1255 1.741,1256 1.686,1257 1.946,1258 1.925,1259 1.074,1260 1.935,1261 1.457,1262 1.402,1263 1.718,1264 1.72,1265 0.894,1266 1.703,1267 1.404,1268 1.309,1269 1.64,1270 1.675,1271 0.825,1272 1.669,1273 1.291,1274 1.21,1275 1.543,1276 1.532,1277 0.825,1278 1.563,1279 4.595,1281 5.916,1283 7.432,1285 9.029,1287 10.666,1289 6.44,1295 9.691,1296 5.887,1297 11.226,1299 1.075,1300 6.933,1305 52.798,1306 132.995,1307 305.192,1308 423.146,1309 468.656,1310 480.165,1311 482.165,1312 76.337,1313 9.008,1314 107.98,1315 107.98,1316 36,1317 12.949,1318 4.322,1319 3.459,1320 66.587,1321 290,1322 302,1323 0.11,1324 320.026,1325 560.57,1326 772.625,1327 135183,1329 30.468,1330 0.692,1331 0.592,1332 30.468,1333 26.037,1334 21.424,1335 0.437,1336 0.323,1337 15.542,1338 20.447,1339 15.156,1340 12.505,1341 21.424,1342 15.807,1343 19.368,1344 0.285,1345 0.18,1346 19.368,1347 12.206,1348 16.263,1349 0.183,1350 0.1,1351 16.263,1352 8.938,1353 13.534,1354 0.119,1355 0.054,1356 13.534,1357 6.193,1358 11.101,1359 0.075,1360 0.028,1361 11.101,1362 4.182,1363 0.181,1364 135.018,1365 0.173,1366 39.705,1367 0.281,1368 234,1369 625.743,1370 259.595,1371 596.062,1372 824.85,1373 564,1374 274,1375 610.613,1376 300.071,1377 616.014,1378 904.45,1379 579,1380 6.396}
{0 CHEMBL1092045,1 1.572,2 18.273,3 2.691,4 7.241,5 164.416,6 7.152,7 0.367,8 4.532,9 4.661,10 4.07,11 3.999,12 5.558,13 3.991,14 5.125,15 5.318,16 4.432,17 4.409,18 6.133,19 4.375,20 5.392,21 5.616,22 4.498,23 4.593,24 6.345,25 4.524,26 5.469,27 5.72,28 4.454,29 4.568,30 6.467,31 4.485,32 5.385,33 5.636,34 4.443,35 4.508,36 6.439,37 4.445,38 5.249,39 5.453,40 4.425,41 4.542,42 6.242,43 4.469,44 5.364,45 5.583,46 4.415,47 4.62,48 6.293,49 4.52,50 5.472,51 5.714,52 4.369,53 4.644,54 6.43,55 4.499,56 0.042,57 1.298,58 18.546,59 7.15,60 9.939,61 10.152,62 0.681,63 2.076,64 37.338,65 11.983,66 49.317,67 17.348,68 0.635,69 2.544,70 49.873,71 15.521,72 58.853,73 23.364,74 0.693,75 2.585,76 55.583,77 16.149,78 91.703,79 25.042,80 1.014,81 2.402,82 51.734,83 13.862,84 108.323,85 21.804,86 0.484,87 2.319,88 41.761,89 14.721,90 55.091,91 21.343,92 0.588,93 2.491,94 47.585,95 16.814,96 61.501,97 24.594,98 0.721,99 2.564,100 54.159,101 20.601,102 103.253,103 29.643,104 17,105 68,106 0.237,107 0.54,108 0.728,109 0.802,110 0.816,111 0.827,112 3.81,113 0.941,114 -4.37,115 -4.31,116 -4.06,119 38.1,120 1,121 2,122 1,124 1,125 9,127 1,142 8,143 2,144 2,149 2,150 1,158 1,159 1,172 10,174 6,175 9,178 2,179 1,180 4,183 9,186 2,187 14,192 4,195 4,198 1,199 18,204 6,207 1,211 5,212 13,217 4,220 4,224 9,227 4,229 2,232 12,236 3,237 5,245 16,249 4,250 6,253 6,255 1,258 10,263 5,266 1,268 2,271 4,275 4320,276 30.032,277 30.032,278 30.032,279 30.032,280 30.032,281 27.779,282 43.487,283 17.785,284 30.906,285 24.208,286 24.208,287 24.208,288 24.208,289 24.208,290 20.609,291 60.743,292 8.513,293 25.564,294 4.82,295 2.804,296 1.556,297 1.066,298 0.97,299 0.899,300 4.523,306 1778,307 3.742,311 1007.12,318 2.93,319 45.356,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 96,331 804,332 4.405,333 3.695,334 6.515,335 4.039,336 3.107,337 4.053,338 1.656,339 10.262,340 2.928,341 4.267,342 3.562,343 6.393,344 3.965,345 2.984,346 3.802,347 1.2,348 9.676,349 2.911,350 4.086,351 3.317,352 6.212,353 3.784,354 2.836,355 3.602,356 0.86,357 9.243,358 2.695,359 3.917,360 3.068,361 6.022,362 3.711,363 2.739,364 3.221,365 0.86,366 8.656,367 2.645,368 3.873,369 2.809,370 5.578,371 3.595,372 2.631,373 3.064,374 0.8,375 7.65,376 2.527,377 3.721,378 2.773,379 5.383,380 3.416,381 2.461,382 3.016,383 0.8,384 7.027,385 2.347,386 3.49,387 2.571,388 5.225,389 3.276,390 2.326,391 2.644,392 0.293,393 6.495,394 2.203,395 3.349,396 2.463,397 5.084,398 3.034,399 2.087,400 2.46,401 0.247,402 5.905,403 1.974,404 3.228,405 2.313,406 4.916,407 2.92,408 1.968,409 2.339,411 5.613,412 1.864,413 3.035,414 2.269,415 4.639,416 2.739,417 1.772,418 2.111,420 4.939,421 1.7,422 2.91,423 2.157,424 4.476,425 2.646,426 1.738,427 1.977,428 4.455,429 1.571,430 2.741,431 1.863,432 4.202,433 2.337,434 1.414,435 1.819,436 3.724,437 1.299,438 2.5,439 1.836,440 3.87,441 2.288,442 1.365,443 1.5,445 3.088,446 1.248,447 2.5,448 1.562,449 3.676,450 2,451 1.082,452 1.5,454 2.729,455 1,456 2.414,457 1.274,458 3.581,459 2,460 1,461 1.414,463 2.54,464 1,465 20.533,466 0.467,467 1.006,468 0.023,469 53.25,470 1.21,471 22.5,472 0.511,473 30.75,474 0.699,475 44.579,476 1.013,477 49.067,478 0.584,479 46.856,480 1.065,481 10.292,482 0.234,483 11.132,484 0.253,485 0.081,487 0.326,493 0.822,494 1.625,495 0.806,496 1.28,497 0.592,498 1.071,499 1.03,500 1.025,501 0.947,502 0.939,503 0.609,504 0.93,505 1.062,506 1.153,507 1.026,508 1.042,509 0.857,510 1.023,511 1.083,512 1.135,513 0.983,514 1.003,515 1.217,516 0.974,517 1.174,518 0.844,519 0.976,520 0.726,521 1.501,522 0.788,523 0.846,524 1.124,525 1.04,526 1.135,527 0.925,528 1.117,529 0.794,530 1.085,531 1.093,532 1.156,533 0.826,534 1.167,535 0.436,536 1.077,537 0.992,538 1.306,539 0.404,540 1.263,541 8.5,542 0.227,543 4.889,544 2.625,545 1.973,546 1.819,547 1.132,548 0.533,549 0.417,550 0.447,551 40757,552 97028,553 2.136,554 47.6,556 30,559 2,560 1,561 7,564 1.818,565 2.031,566 4.061,567 0.149,573 132.078,574 1.572,575 3.588,576 4.836,577 5.327,578 5.422,579 5.493,580 3.496,581 4.789,582 5.43,583 4.326,584 4092.02,585 9.588,586 81459.4,591 536.955,592 1.289,593 5.405,594 0.173,595 0.006,596 0.072,597 0.037,598 0.03,599 0.027,600 0.017,601 0.008,602 0.007,603 0.01,604 0.387,605 0.17,606 0.63,607 0.439,608 261.191,609 -0.033,610 -0.336,611 0.076,612 -0.139,613 -0.015,614 -0.032,615 0.046,616 0.132,617 0.02,618 0.073,619 0.083,620 0.039,621 -0.105,622 -0.078,623 -0.058,624 -0.038,625 -0.021,626 -0.039,627 -0.1,628 -0.13,629 0.009,630 -0.038,631 -0.039,632 -0.001,633 -0.064,634 0.192,635 0.037,636 0.202,637 -0.098,638 0.152,639 -0.04,640 0.006,641 -0.11,642 -0.079,643 -0.052,644 -0.102,645 -0.03,647 -0.161,648 -0.101,649 -0.067,650 -0.143,651 0.248,652 -0.092,653 -0.059,654 -0.235,655 0.231,656 -0.209,657 2.04,658 5.807,659 0.818,660 66.645,661 1.003,662 1.137,663 3.145,664 9.89,665 0.643,666 3.912,667 4.234,668 4.5,669 4.745,670 5.004,671 5.075,672 5.257,673 5.389,674 5.493,675 5.631,676 10.617,677 0.613,678 600.8,679 3.912,680 5.46,681 6.308,682 7.179,683 8.04,684 8.915,685 9.783,686 10.66,687 11.531,688 12.411,689 9.5,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,731 84,733 20,734 2,735 49,737 89,738 32,739 15,740 4,741 8,742 1,746 6,747 6,751 1,752 1,755 3,756 1,758 3,761 17,762 15,763 1,766 2,771 2,775 2,781 40,782 12,783 2,784 12,790 8,794 1,795 4,812 6,836 1,839 2,840 6,844 2,848 44,854 11,855 2,856 2,858 2,859 3,870 4.8,873 2,874 2,877 21.667,878 15.45,879 9.583,880 5.236,881 3.463,882 1.387,883 0.977,884 9.797,885 12.401,886 4.111,887 4.63,888 5.137,889 5.662,890 6.202,891 6.462,892 6.884,893 7.228,894 7.502,895 7.862,896 0.917,897 71,898 16.384,900 7.018,901 7.663,902 31.699,904 26.388,905 2.163,906 95.167,910 447.302,911 154.419,912 95.751,914 72.29,917 154.419,918 519.592,919 95.751,920 17.222,921 73.113,922 75.81,923 127.351,924 22.789,925 6.175,926 447.302,928 447.302,929 250.17,930 72.29,933 369.56,934 132.688,935 22,937 86.962,938 108.196,939 50.357,941 447.302,942 168.041,943 154.419,946 447.302,947 61.387,948 102.405,949 36.022,950 122.646,951 447.302,952 168.041,953 154.419,955 0.582,956 0.337,957 0.179,958 0.1,959 32,960 14,961 0.067,962 6,964 1,965 5.423,966 449.353,968 36,969 224.215,974 30.566,975 14.103,976 7.623,978 168.041,979 14.476,980 14.641,984 4.765,986 36.022,987 769.761,988 60,993 25.55,997 -0.361,999 84.261,1000 95.467,1001 0.246,1002 0.561,1003 0.757,1004 0.833,1005 0.848,1006 0.859,1007 5.368,1008 2.087,1009 6.282,1010 6.495,1011 4.92,1012 5.318,1013 2.607,1014 7.067,1015 4.821,1016 6.531,1017 1.968,1018 7.824,1019 5.905,1020 4.443,1021 5.007,1022 1.494,1023 7.892,1024 4.314,1025 7.812,1026 1.772,1027 9.463,1028 5.613,1029 6.494,1030 7.365,1031 2.881,1032 10.979,1033 6.304,1034 9.121,1035 1.738,1036 11.16,1037 4.939,1038 6.825,1039 7.853,1040 2.464,1041 12.624,1042 6.609,1043 10.463,1044 1.414,1045 12.893,1046 4.455,1047 8.33,1048 9.709,1049 3.481,1050 15.211,1051 8.055,1052 11.827,1053 1.365,1054 14.652,1055 3.724,1056 9.043,1057 10.578,1058 3.475,1059 17.205,1060 8.737,1061 13.206,1062 1.082,1063 16.43,1064 3.088,1065 10.312,1066 12.21,1067 4.272,1068 19.608,1069 9.954,1070 3.107,1071 1,1072 18.221,1073 2.729,1074 11.216,1075 13.286,1076 4.501,1077 21.76,1078 10.82,1079 2.984,1080 10.262,1081 20.024,1082 2.54,1083 12.382,1084 14.803,1085 5.168,1086 24.092,1087 11.937,1088 2.836,1089 9.676,1090 21.835,1091 4.053,1092 13.382,1093 15.998,1094 5.524,1095 26.318,1096 12.895,1097 2.739,1098 9.243,1099 23.653,1100 3.802,1101 14.503,1102 17.452,1103 6.119,1104 28.624,1105 13.969,1106 2.631,1107 8.656,1108 25.477,1109 3.602,1110 15.552,1111 18.719,1112 6.542,1113 30.885,1114 14.973,1115 2.461,1116 7.65,1117 27.306,1118 3.221,1119 16.658,1120 20.139,1121 7.097,1122 33.184,1123 16.031,1124 2.326,1125 7.027,1126 29.139,1127 3.064,1128 17.732,1129 21.45,1130 7.557,1131 35.464,1132 17.059,1133 37506,1134 58097,1135 33.402,1136 54.046,1137 73.691,1138 75.57,1139 74.871,1140 73.05,1141 73.04,1142 88.302,1143 13.432,1144 207.031,1145 69.401,1146 5.405,1147 5.695,1148 6.317,1149 5.143,1150 5.107,1151 7.053,1152 2.912,1153 17.086,1154 4.928,1155 19.21,1156 1.504,1157 1.542,1158 1.528,1159 1.491,1160 1.491,1161 1.802,1162 0.274,1163 4.225,1164 1.416,1165 4.036,1166 4.081,1167 3.989,1168 3.917,1169 7.432,1170 3.926,1171 3.948,1172 3.987,1173 3.898,1174 3.852,1175 7.427,1176 3.856,1177 3.855,1178 3.9,1179 3.782,1180 3.719,1181 5.071,1182 3.727,1183 3.789,1184 3.853,1185 3.682,1186 3.602,1187 4.734,1188 3.612,1189 3.784,1190 3.835,1191 3.664,1192 3.593,1193 4.691,1194 3.604,1195 3.569,1196 3.623,1197 3.496,1198 3.337,1199 4.614,1200 3.371,1201 3.426,1202 3.472,1203 3.368,1204 3.164,1205 4.589,1206 3.21,1207 3.267,1208 3.352,1209 3.176,1210 3.087,1211 4.363,1212 3.064,1213 0.09,1214 0.075,1215 0.133,1216 0.082,1217 0.063,1218 4.405,1219 0.083,1220 3.695,1221 0.034,1222 6.515,1223 0.209,1224 4.039,1225 0.06,1226 3.107,1227 4.053,1228 1.656,1229 10.262,1230 2.928,1231 1.943,1232 1.911,1233 2.044,1234 2.09,1235 1.369,1236 2.074,1237 1.916,1238 1.888,1239 2.028,1240 2.055,1241 1.287,1242 2.048,1243 1.819,1244 1.776,1245 1.986,1246 1.982,1247 1.242,1248 1.981,1249 1.748,1250 1.686,1251 1.954,1252 1.957,1253 1.103,1254 1.96,1255 1.741,1256 1.677,1257 1.949,1258 1.938,1259 1.081,1260 1.947,1261 1.457,1262 1.403,1263 1.64,1264 1.715,1265 0.894,1266 1.676,1267 1.3,1268 1.248,1269 1.556,1270 1.585,1271 0.825,1272 1.566,1273 1.286,1274 1.207,1275 1.541,1276 1.519,1277 0.825,1278 1.552,1279 4.595,1281 5.916,1283 7.432,1285 9.029,1287 10.666,1289 4.175,1295 8.349,1296 5.715,1297 11.2,1299 0.393,1300 6.265,1305 51.459,1306 132.078,1307 301.383,1308 406.226,1309 447.445,1310 455.445,1311 461.445,1312 84.031,1313 8.938,1314 125.05,1315 125.05,1316 36,1317 12.949,1318 4.392,1319 3.585,1320 66.557,1321 288,1322 306,1323 0.111,1324 311.503,1325 549.42,1326 751.827,1327 124347,1329 30.468,1330 0.692,1331 0.577,1332 30.468,1333 25.368,1334 21.424,1335 0.437,1336 0.314,1337 15.096,1338 20.389,1339 14.778,1340 12.147,1341 21.424,1342 15.372,1343 19.328,1344 0.284,1345 0.171,1346 19.328,1347 11.65,1348 16.385,1349 0.184,1350 0.095,1351 16.385,1352 8.433,1353 13.501,1354 0.118,1355 0.05,1356 13.501,1357 5.685,1358 11.171,1359 0.075,1360 0.027,1361 11.171,1362 3.948,1363 0.182,1364 135.548,1365 0.173,1366 39.663,1367 0.283,1368 234,1369 679.479,1370 261.809,1371 642.896,1372 879.67,1373 606,1374 274,1375 642.25,1376 302.452,1377 645.46,1378 950.31,1379 607,1380 7.367}
{0 CHEMBL1092046,1 1.545,2 19.087,3 3.417,4 11.677,5 173.582,6 6.987,7 0.353,8 4.593,9 4.724,10 4.109,11 4.062,12 5.601,13 4.046,14 5.19,15 5.386,16 4.476,17 4.471,18 6.177,19 4.43,20 5.469,21 5.701,22 4.55,23 4.662,24 6.399,25 4.588,26 5.549,27 5.798,28 4.515,29 4.669,30 6.523,31 4.574,32 5.527,33 5.791,34 4.488,35 4.619,36 6.521,37 4.529,38 5.386,39 5.626,40 4.456,41 4.606,42 6.305,43 4.517,44 5.391,45 5.607,46 4.471,47 4.66,48 6.338,49 4.563,50 5.527,51 5.763,52 4.429,53 4.698,54 6.517,55 4.56,56 0.021,57 1.374,58 20.4,59 7.803,60 11.133,61 11.214,62 0.646,63 2.207,64 40.498,65 13.058,66 51.703,67 19.184,68 0.658,69 2.733,70 54.72,71 16.578,72 62.384,73 25.454,74 0.63,75 2.818,76 60.033,77 18.084,78 92.231,79 27.998,80 1.002,81 2.695,82 59.956,83 16.704,84 114.765,85 26.517,86 0.586,87 2.523,88 50.049,89 16.421,90 64.023,91 24.74,92 0.508,93 2.576,94 49.197,95 17.462,96 59.085,97 25.653,98 0.798,99 2.688,100 57.781,101 21.529,102 121.188,103 30.76,104 27,105 71,106 0.23,107 0.522,108 0.706,109 0.782,110 0.809,111 0.819,112 3.853,113 0.961,114 -4.74,115 -4.66,116 -4.38,119 37.8,120 3,121 2,122 1,125 9,127 2,142 8,143 2,144 2,149 2,150 1,158 1,159 1,172 10,174 6,175 11,178 2,179 1,180 4,183 10,186 2,187 14,192 4,195 4,198 1,199 18,204 6,207 1,211 5,212 15,217 4,220 4,224 9,227 4,229 2,232 12,236 3,237 7,245 18,249 4,250 6,253 6,255 1,258 14,263 5,266 1,268 2,271 8,275 5012,276 31.239,277 31.239,278 31.239,279 31.239,280 31.239,281 28.986,282 46.649,283 18.42,284 32.125,285 25.176,286 25.176,287 25.176,288 25.176,289 25.176,290 21.577,291 66.779,292 8.772,293 26.557,294 4.947,295 2.979,296 1.739,297 1.228,298 1.047,299 0.981,300 4.564,306 1931,307 4.123,311 1067.54,318 3.083,319 46.846,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 100,331 878,332 4.405,333 3.696,334 6.515,335 4.039,336 3.107,337 4.053,338 1.656,339 10.262,340 2.93,341 4.268,342 3.562,343 6.396,344 3.971,345 2.994,346 3.802,347 1.2,348 9.685,349 2.911,350 4.086,351 3.317,352 6.212,353 3.784,354 2.836,355 3.602,356 0.86,357 9.243,358 2.695,359 3.92,360 3.068,361 6.022,362 3.712,363 2.745,364 3.222,365 0.86,366 8.656,367 2.645,368 3.875,369 3.028,370 5.913,371 3.663,372 2.713,373 3.064,374 0.8,375 8.149,376 2.565,377 3.756,378 2.808,379 5.575,380 3.566,381 2.604,382 3.016,383 0.8,384 7.641,385 2.491,386 3.679,387 2.582,388 5.365,389 3.363,390 2.399,391 2.754,392 0.293,393 6.99,394 2.308,395 3.412,396 2.465,397 5.154,398 3.077,399 2.119,400 2.596,401 0.247,402 6.146,403 2.026,404 3.242,405 2.314,406 5.081,407 2.972,408 2.029,409 2.354,411 5.892,412 1.907,413 3.134,414 2.271,415 4.643,416 2.797,417 1.809,418 2.25,420 4.961,421 1.775,422 2.91,423 2.269,424 4.476,425 2.646,426 1.742,427 1.978,428 4.456,429 1.571,430 2.742,431 1.871,432 4.203,433 2.337,434 1.414,435 1.82,436 3.725,437 1.301,438 2.527,439 1.836,440 3.918,441 2.299,442 1.369,443 1.5,445 3.111,446 1.274,447 2.5,448 1.562,449 3.87,450 2.272,451 1.3,452 1.5,454 3.087,455 1.243,456 2.5,457 1.374,458 3.581,459 2,460 1.081,461 1.459,463 2.729,464 1,465 21.533,466 0.468,467 1.095,468 0.024,469 54.25,470 1.179,471 22.5,472 0.489,473 31.75,474 0.69,475 49.717,476 1.081,477 51.667,478 0.574,479 47.816,480 1.039,481 10.252,482 0.223,483 12.082,484 0.263,485 0.101,487 0.334,493 0.818,494 1.62,495 0.832,496 1.291,497 0.607,498 1.092,499 1.003,500 1.088,501 0.939,502 0.982,503 0.598,504 0.956,505 1.103,506 1.102,507 1.028,508 0.987,509 0.85,510 0.984,511 1.059,512 1.169,513 1.015,514 1.06,515 1.19,516 1.03,517 1.062,518 0.903,519 0.958,520 0.806,521 1.369,522 0.845,523 0.841,524 0.974,525 0.952,526 0.964,527 0.868,528 0.964,529 0.795,530 1.12,531 1.073,532 1.179,533 0.803,534 1.164,535 0.639,536 1.055,537 1.039,538 1.259,539 0.816,540 1.234,541 9,542 0.268,543 5.333,544 2.875,545 2.053,546 1.944,547 1.214,548 0.595,549 0.467,550 0.467,551 46275,552 105610,553 2.117,554 48.9,556 28,559 2,560 1,561 13,564 1.827,565 2,566 4.126,567 0.127,573 139.078,574 1.545,575 3.513,576 4.753,577 5.264,578 5.444,579 5.511,580 3.578,581 4.985,582 5.494,583 4.408,584 4562.49,585 9.712,586 94922,591 584.267,592 1.34,593 5.463,594 0.176,595 0.006,596 0.075,597 0.038,598 0.029,599 0.028,600 0.018,601 0.009,602 0.008,603 0.01,604 0.397,605 0.17,606 0.63,607 0.588,608 277.468,609 -0.024,610 -0.319,611 0.076,612 -0.131,613 -0.02,614 -0.029,615 0.075,616 0.072,617 0.041,618 0.044,619 0.099,620 0.029,621 -0.115,622 -0.018,623 -0.046,624 0.007,625 -0.017,626 -0.004,627 -0.093,628 -0.146,629 -0.029,630 -0.078,631 -0.035,632 -0.047,633 -0.018,634 0.106,635 0.049,636 0.133,637 -0.062,638 0.11,639 -0.02,640 0.101,641 0.009,642 0.053,643 -0.029,644 0.041,645 -0.011,646 -0.012,647 -0.133,648 -0.112,649 -0.022,650 -0.134,651 0.189,652 -0.06,653 -0.089,654 -0.191,655 0.16,656 -0.192,657 2.04,658 5.977,659 0.783,660 73.52,661 1,662 1.137,663 3.513,664 12.344,665 0.64,666 3.951,667 4.277,668 4.543,669 4.779,670 5.03,671 5.124,672 5.318,673 5.425,674 5.525,675 5.659,676 11.197,677 0.606,678 628.86,679 3.951,680 5.501,681 6.351,682 7.222,683 8.084,684 8.959,685 9.828,686 10.705,687 11.577,688 12.456,689 8.9,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,731 90,733 20,734 2,735 51,737 95,738 34,739 15,740 4,741 8,742 1,746 6,747 6,751 1,752 3,755 3,756 1,758 4,761 17,762 17,763 1,766 2,771 2,775 2,781 44,782 12,783 2,784 12,790 8,794 1,795 4,812 6,836 1,839 2,840 6,844 3,848 46,854 11,855 2,856 2,858 3,859 3,870 4.4,873 2,874 2,877 23,878 16.783,879 10.028,880 5.769,881 3.478,882 1.383,883 0.967,884 10.572,885 12.556,886 4.143,887 4.659,888 5.16,889 5.675,890 6.21,891 6.475,892 6.901,893 7.237,894 7.512,895 7.873,896 1,897 75,898 17.142,900 7.321,901 7.641,902 33.272,904 27.725,905 2.141,906 98.5,910 494.386,911 163.673,912 95.751,914 72.29,917 163.673,918 566.676,919 95.751,920 26.476,921 73.113,922 75.81,923 127.351,924 22.789,925 6.175,926 494.386,928 494.386,929 259.424,930 72.29,933 346.018,934 203.314,935 22,937 104.612,938 99.799,939 50.357,941 494.386,942 168.041,943 163.673,946 494.386,947 61.387,948 111.659,949 36.022,950 122.646,951 494.386,952 168.041,953 163.673,955 0.583,956 0.339,957 0.177,958 0.097,959 33,960 15,961 0.074,962 7,964 1,965 5.561,966 474.435,968 36,969 236.084,974 32.485,975 14.97,976 8.108,978 168.041,979 14.524,980 14.66,984 4.77,986 36.022,987 826.1,988 62,993 25.774,997 -0.355,999 90.028,1000 102.298,1001 0.238,1002 0.541,1003 0.732,1004 0.811,1005 0.839,1006 0.849,1007 5.405,1008 2.119,1009 6.33,1010 6.99,1011 4.963,1012 5.347,1013 2.607,1014 7.12,1015 4.865,1016 6.568,1017 2.029,1018 7.878,1019 6.146,1020 4.511,1021 5.047,1022 1.494,1023 7.966,1024 4.384,1025 7.85,1026 1.809,1027 9.524,1028 5.892,1029 6.544,1030 7.386,1031 2.881,1032 11.044,1033 6.352,1034 9.16,1035 1.742,1036 11.226,1037 4.961,1038 6.899,1039 7.88,1040 2.464,1041 12.698,1042 6.678,1043 10.503,1044 1.414,1045 12.965,1046 4.456,1047 8.39,1048 9.725,1049 3.481,1050 15.275,1051 8.11,1052 11.866,1053 1.369,1054 14.729,1055 3.725,1056 9.118,1057 10.595,1058 3.475,1059 17.268,1060 8.802,1061 13.245,1062 1.3,1063 16.509,1064 3.111,1065 10.379,1066 12.221,1067 4.272,1068 19.662,1069 10.01,1070 3.107,1071 1.081,1072 18.303,1073 3.087,1074 11.29,1075 13.295,1076 4.501,1077 21.81,1078 10.88,1079 2.994,1080 10.262,1081 20.106,1082 2.729,1083 12.45,1084 14.809,1085 5.168,1086 24.135,1087 11.991,1088 2.836,1089 9.685,1090 21.917,1091 4.053,1092 13.452,1093 16.003,1094 5.524,1095 26.355,1096 12.949,1097 2.745,1098 9.243,1099 23.734,1100 3.802,1101 14.57,1102 17.456,1103 6.119,1104 28.656,1105 14.019,1106 2.713,1107 8.656,1108 25.556,1109 3.602,1110 15.619,1111 18.722,1112 6.542,1113 30.914,1114 15.02,1115 2.604,1116 8.149,1117 27.382,1118 3.222,1119 16.721,1120 20.141,1121 7.097,1122 33.208,1123 16.075,1124 2.399,1125 7.641,1126 29.212,1127 3.064,1128 17.794,1129 21.451,1130 7.557,1131 35.485,1132 17.1,1133 42844,1134 65025,1135 34.501,1136 57.569,1137 76.981,1138 79.037,1139 78.31,1140 76.331,1141 76.336,1142 91.601,1143 13.432,1144 217.079,1145 72.632,1146 5.405,1147 5.696,1148 6.317,1149 5.143,1150 5.107,1151 7.053,1152 2.912,1153 17.086,1154 4.93,1155 22.345,1156 1.509,1157 1.55,1158 1.535,1159 1.497,1160 1.497,1161 1.796,1162 0.263,1163 4.256,1164 1.424,1165 4.039,1166 4.085,1167 3.991,1168 3.918,1169 7.432,1170 3.928,1171 3.95,1172 3.992,1173 3.9,1174 3.852,1175 7.427,1176 3.857,1177 3.858,1178 3.907,1179 3.783,1180 3.72,1181 5.071,1182 3.728,1183 3.817,1184 3.871,1185 3.714,1186 3.647,1187 4.734,1188 3.654,1189 3.784,1190 3.835,1191 3.664,1192 3.597,1193 4.691,1194 3.606,1195 3.576,1196 3.632,1197 3.502,1198 3.354,1199 4.614,1200 3.377,1201 3.524,1202 3.593,1203 3.411,1204 3.328,1205 4.589,1206 3.337,1207 3.393,1208 3.44,1209 3.299,1210 3.134,1211 4.387,1212 3.176,1213 0.086,1214 0.072,1215 0.128,1216 0.079,1217 0.061,1218 4.405,1219 0.079,1220 3.696,1221 0.032,1222 6.515,1223 0.201,1224 4.039,1225 0.057,1226 3.107,1227 4.053,1228 1.656,1229 10.262,1230 2.93,1231 1.943,1232 1.911,1233 2.045,1234 2.09,1235 1.369,1236 2.074,1237 1.917,1238 1.889,1239 2.037,1240 2.062,1241 1.324,1242 2.057,1243 1.82,1244 1.776,1245 1.991,1246 1.99,1247 1.242,1248 1.989,1249 1.787,1250 1.72,1251 1.975,1252 1.957,1253 1.105,1254 1.961,1255 1.741,1256 1.686,1257 1.952,1258 1.948,1259 1.091,1260 1.958,1261 1.519,1262 1.446,1263 1.803,1264 1.743,1265 1.014,1266 1.761,1267 1.456,1268 1.4,1269 1.64,1270 1.706,1271 0.894,1272 1.674,1273 1.293,1274 1.223,1275 1.543,1276 1.555,1277 0.825,1278 1.564,1279 4.635,1281 5.958,1283 7.476,1285 9.074,1287 10.712,1289 6.474,1295 8.372,1296 5.736,1297 11.212,1299 0.872,1300 6.46,1305 54.513,1306 139.078,1307 316.174,1308 427.763,1309 473.737,1310 490.002,1311 496.002,1312 91.518,1313 9.077,1314 125.05,1315 125.05,1316 36,1317 12.994,1318 4.392,1319 3.585,1320 71.283,1321 316,1322 324,1323 0.107,1324 330.688,1325 584.02,1326 798.638,1327 149519,1329 32.045,1330 0.697,1331 0.586,1332 32.045,1333 26.945,1334 22.335,1335 0.438,1336 0.32,1337 16.068,1338 21.303,1339 15.682,1340 12.919,1341 22.335,1342 16.338,1343 20.227,1344 0.285,1345 0.176,1346 20.227,1347 12.477,1348 17.084,1349 0.184,1350 0.096,1351 17.084,1352 8.974,1353 14.027,1354 0.119,1355 0.052,1356 14.027,1357 6.117,1358 11.375,1359 0.075,1360 0.027,1361 11.375,1362 4.077,1363 0.177,1364 140.89,1365 0.17,1366 41.181,1367 0.272,1368 244,1369 689.479,1370 272.475,1371 653.137,1372 896.73,1373 616,1374 286,1375 658.954,1376 314.785,1377 660.862,1378 973.85,1379 623,1380 7.046}
{0 CHEMBL1092071,1 1.636,2 13.471,3 1.622,4 2.631,5 125.34,6 7.789,7 0.579,8 4.205,9 4.326,10 3.81,11 3.685,12 5.337,13 3.698,14 4.733,15 4.903,16 4.154,17 4.069,18 5.855,19 4.06,20 4.958,21 5.171,22 4.187,23 4.192,24 5.998,25 4.152,26 4.962,27 5.186,28 4.18,29 4.193,30 6.03,31 4.144,32 4.972,33 5.181,34 4.197,35 4.198,36 6.102,37 4.16,38 4.959,39 5.161,40 4.163,41 4.222,42 6.029,43 4.17,44 4.974,45 5.185,46 4.082,47 4.242,48 5.972,49 4.152,50 5.02,51 5.263,52 3.944,53 4.189,54 5.987,55 4.052,56 0.101,57 0.942,58 11.432,59 4.693,60 12.395,61 6.11,62 0.501,63 1.478,64 22.352,65 7.663,66 38.069,67 10.223,68 0.596,69 1.734,70 30.503,71 9.475,72 48.475,73 13.503,74 0.474,75 1.755,76 30.324,77 9.913,78 44.625,79 14.268,80 0.565,81 1.709,82 30.878,83 9.973,84 64.53,85 13.935,86 0.572,87 1.732,88 29.602,89 10.045,90 53.483,91 13.705,92 0.547,93 1.714,94 30.119,95 11.117,96 40.862,97 15.514,98 0.471,99 1.647,100 33.763,101 13.318,102 56.708,103 18.743,104 7,105 52,106 0.263,107 0.623,108 0.752,109 0.825,110 0.83,111 0.836,112 3.561,113 0.876,114 -3.43,115 -3.41,116 -3.26,119 40.7,125 6,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 9,178 2,179 1,180 4,183 5,186 1,187 7,190 1,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 1,212 7,215 1,217 4,220 3,223 1,224 6,227 3,229 1,232 8,236 2,237 1,240 2,242 1,245 6,249 2,250 4,253 4,255 3,258 2,263 4,268 3,275 2240,276 23.662,277 23.662,278 23.662,279 23.662,280 23.662,281 20.998,282 26.231,283 14.347,284 24.348,285 18.806,286 18.806,287 18.806,288 18.806,289 18.806,290 14.718,291 35.692,292 6.812,293 19.903,294 4.246,295 2.003,296 1.198,297 0.746,298 0.712,299 0.678,300 4.272,304 1,305 1,306 1011,307 3.391,310 85.212,311 430.063,314 149.598,318 2.121,319 32.315,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 74.5,331 458,332 4.674,333 3.562,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.397,340 3.084,341 4.173,342 3.349,343 6.112,344 3.777,345 2.802,346 3.792,347 0.86,348 8.949,349 2.734,350 3.977,351 2.912,352 6.098,353 3.609,354 2.676,355 3.479,356 0.8,357 8.83,358 2.542,359 3.902,360 2.799,361 5.568,362 3.587,363 2.643,364 3.306,365 0.247,366 7.635,367 2.44,368 3.757,369 2.548,370 5.323,371 3.366,372 2.401,373 3.138,375 6.925,376 2.313,377 3.405,378 2.419,379 5.132,380 2.967,381 2.019,382 2.655,384 5.869,385 1.928,386 3.194,387 2.324,388 4.678,389 2.913,390 1.939,391 2.289,393 5.114,394 1.854,395 2.968,396 1.974,397 4.419,398 2.462,399 1.556,400 2.176,402 4.262,403 1.426,404 2.844,405 1.538,406 4.368,407 2.443,408 1.496,409 1.975,411 3.962,412 1.39,413 2.765,414 1.534,415 3.762,416 2.315,417 1.374,418 1.836,420 2.995,421 1.286,422 2.5,423 1.519,424 3.569,425 2.089,426 1.19,427 1.5,428 2.902,429 1.064,430 2.5,431 1.256,432 3.435,433 2,434 1.029,435 1.5,436 2.275,437 1,438 2.48,439 1.212,440 3.414,441 1.984,442 1,443 1.474,445 2.178,446 0.983,447 2.208,448 1,449 3.247,450 1.965,451 1,452 1.183,454 2.136,455 0.955,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.8,466 0.465,467 0.636,468 0.019,469 47,470 1.382,471 23,472 0.676,473 24,474 0.706,475 26.538,476 0.781,477 36.4,478 0.617,479 37.508,480 1.103,481 9.481,482 0.279,483 7.227,484 0.213,485 0.042,487 0.304,493 0.921,494 1.517,495 0.753,496 1.137,497 0.745,498 0.945,499 1.042,500 1.085,501 0.939,502 0.938,503 0.745,504 0.923,505 1.073,506 1.133,507 0.986,508 0.918,509 0.906,510 0.928,511 0.802,512 1.054,513 0.924,514 1.009,515 0.739,516 0.976,517 1.071,518 1.065,519 0.968,520 0.97,521 1.247,522 0.946,523 1.048,524 0.969,525 1.11,526 1.021,527 1.053,528 1.059,529 0.711,530 1.007,531 1.113,532 1.166,533 0.545,534 1.202,535 0.458,536 1.013,537 0.959,538 1.302,539 0.508,540 1.256,541 5.5,542 0.186,543 3.111,544 1.819,545 1.569,546 1.459,547 0.785,548 0.278,549 0.296,550 0.257,551 18155,552 50450,553 2.163,554 42.4,556 19,557 1,558 2,559 3,564 1.76,565 2.082,566 3.662,567 0.869,569 1,573 96.534,574 1.636,575 3.88,576 4.685,577 5.137,578 5.171,579 5.205,580 3.065,581 4.735,582 5.054,583 3.883,584 2178.26,585 8.865,586 33890.7,591 347.076,592 1.166,593 5.043,594 0.145,595 0.007,596 0.06,597 0.034,598 0.03,599 0.028,600 0.015,601 0.006,602 0.008,603 0.009,604 0.342,605 0.33,606 0.88,607 0.689,608 183.343,609 -0.103,610 -0.305,611 0.05,612 -0.095,613 -0.078,614 -0.011,615 -0.019,616 0.052,617 -0.04,618 0.037,619 -0.002,620 -0.007,621 -0.116,622 -0.083,623 -0.033,624 0.048,625 -0.078,626 0.025,627 -0.013,628 0.005,629 0.017,630 -0.04,631 0.034,632 -0.007,633 -0.082,634 -0.034,635 -0.011,636 0.01,637 -0.049,638 0.017,639 -0.117,640 0.101,641 -0.181,642 -0.038,643 -0.095,644 -0.105,645 0.041,646 0.026,647 -0.198,648 -0.143,649 0.008,650 -0.2,651 0.219,652 -0.106,653 0.002,654 -0.237,655 0.15,656 -0.18,657 2.006,658 5.266,659 0.794,660 41.287,661 1.011,662 1.133,663 2.196,664 4.821,665 0.665,666 3.664,667 3.97,668 4.263,669 4.564,670 4.82,671 4.942,672 5.153,673 5.308,674 5.407,675 5.529,676 7.942,677 0.645,678 459.56,679 3.664,680 5.198,681 6.052,682 6.93,683 7.805,684 8.695,685 9.581,686 10.477,687 11.371,688 12.272,689 11.9,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 59,733 23,734 1,735 38,737 63,738 24,739 17,740 2,741 4,746 5,747 6,751 1,752 1,761 18,762 6,766 1,771 1,775 1,778 1,781 25,782 9,783 3,784 10,790 7,794 0.8,795 3,796 1,805 1,806 1,807 1,811 1,812 4,815 1,838 1,839 1,840 4,848 34,853 1,854 6,855 2,856 1,859 1,870 5.1,871 1,873 1,874 1,877 16.333,878 10.367,879 7.556,880 3.435,881 4.01,882 1.484,883 0.993,884 6.787,885 12.3,886 3.932,887 4.525,888 5.132,889 5.768,890 6.332,891 6.696,892 7.196,893 7.649,894 7.968,895 8.373,896 0.889,897 53,898 12.548,900 5.34,901 7.76,902 23.899,904 19.525,905 2.26,906 76.833,910 258.964,911 130.897,912 91.401,914 78.828,917 130.897,918 337.792,919 91.401,921 51.523,922 118.064,923 111.759,924 36.718,925 18.375,926 223.651,928 258.964,929 222.298,930 78.828,933 261.292,934 25.145,935 53.683,937 73.233,938 96.381,939 50.357,941 258.964,942 170.23,943 130.897,946 258.964,947 37.421,948 98.499,949 36.022,950 129.185,951 258.964,952 170.23,953 130.897,955 0.568,956 0.331,957 0.191,958 0.108,959 25,960 10,961 0.095,962 6,963 1,964 1.074,965 4.573,966 322.674,967 0.074,968 27,969 160.974,974 22.442,975 10.282,976 5.109,977 1.727,978 168.331,979 17.978,980 13.631,984 3.577,985 1.934,986 78.705,987 560.091,988 50,993 12.266,997 -0.34,999 59.647,1000 66.853,1001 0.278,1002 0.66,1003 0.796,1004 0.873,1005 0.879,1006 0.885,1007 5.156,1008 1.556,1009 6.014,1010 5.114,1011 4.654,1012 5.212,1013 2.109,1014 6.815,1015 4.549,1016 6.344,1017 1.496,1018 7.555,1019 4.262,1020 4.111,1021 4.945,1022 1.305,1023 7.678,1024 3.97,1025 7.641,1026 1.374,1027 9.2,1028 3.962,1029 6.225,1030 7.417,1031 2.545,1032 10.815,1033 6.021,1034 8.977,1035 1.19,1036 10.909,1037 2.995,1038 6.553,1039 8.048,1040 2.354,1041 12.564,1042 6.31,1043 10.35,1044 1.029,1045 12.66,1046 2.902,1047 8.088,1048 9.96,1049 3.285,1050 15.204,1051 7.788,1052 11.749,1053 1,1054 14.442,1055 2.275,1056 8.834,1057 11.032,1058 3.414,1059 17.328,1060 8.489,1061 13.169,1062 1,1063 16.246,1064 2.178,1065 10.127,1066 12.71,1067 4.168,1068 19.808,1069 9.73,1070 3.255,1071 1,1072 18.067,1073 2.136,1074 11.081,1075 14.009,1076 4.466,1077 22.097,1078 10.632,1079 2.802,1080 11.397,1081 19.902,1082 2.136,1083 12.277,1084 15.588,1085 5.115,1086 24.53,1087 11.777,1088 2.676,1089 8.949,1090 21.749,1091 4.627,1092 13.333,1093 17.003,1094 5.504,1095 26.892,1096 12.78,1097 2.643,1098 8.83,1099 23.605,1100 3.792,1101 14.495,1102 18.544,1103 6.092,1104 29.315,1105 13.89,1106 2.401,1107 7.635,1108 25.469,1109 3.479,1110 15.603,1111 20.016,1112 6.531,1113 31.712,1114 14.944,1115 2.019,1116 6.925,1117 27.34,1118 3.306,1119 16.757,1120 21.545,1121 7.084,1122 34.135,1123 16.045,1124 1.939,1125 5.869,1126 29.217,1127 3.138,1128 17.893,1129 23.045,1130 7.551,1131 36.549,1132 17.125,1133 16889,1134 28299,1135 26.235,1136 39.256,1137 56.572,1138 57.754,1139 57.479,1140 56.349,1141 56.336,1142 73.794,1143 7.126,1144 158.586,1145 53.332,1146 5.674,1147 5.562,1148 6.643,1149 5.305,1150 5.255,1151 7.627,1152 2.912,1153 18.806,1154 5.084,1155 11.318,1156 1.489,1157 1.52,1158 1.513,1159 1.483,1160 1.483,1161 1.942,1162 0.188,1163 4.173,1164 1.403,1165 4.141,1166 4.185,1167 4.114,1168 4.004,1169 7.431,1170 4.026,1171 3.914,1172 3.955,1173 3.861,1174 3.817,1175 6.456,1176 3.821,1177 3.848,1178 3.888,1179 3.789,1180 3.74,1181 5.081,1182 3.749,1183 3.744,1184 3.804,1185 3.63,1186 3.518,1187 4.908,1188 3.536,1189 3.488,1190 3.544,1191 3.41,1192 3.265,1193 4.715,1194 3.283,1195 3.397,1196 3.444,1197 3.3,1198 3.14,1199 4.615,1200 3.175,1201 3.186,1202 3.243,1203 3.097,1204 2.957,1205 4.372,1206 2.993,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.077,1212 2.91,1213 0.123,1214 0.094,1215 0.18,1216 0.111,1217 0.086,1218 4.674,1219 0.122,1220 3.562,1221 0.044,1222 6.841,1223 0.3,1224 4.202,1225 0.081,1226 3.255,1227 4.627,1228 1.656,1229 11.397,1230 3.084,1231 1.952,1232 1.921,1233 2.03,1234 2.089,1235 1.224,1236 2.069,1237 1.826,1238 1.786,1239 1.941,1240 1.992,1241 1.116,1242 1.979,1243 1.791,1244 1.753,1245 1.926,1246 1.942,1247 1.072,1248 1.941,1249 1.653,1250 1.589,1251 1.842,1252 1.896,1253 0.948,1254 1.883,1255 1.563,1256 1.515,1257 1.723,1258 1.749,1259 0.869,1260 1.742,1261 1.27,1262 1.222,1263 1.513,1264 1.559,1265 0.825,1266 1.515,1267 1.179,1268 1.121,1269 1.451,1270 1.459,1271 0.516,1272 1.449,1273 1.153,1274 1.064,1275 1.351,1276 1.376,1277 0.325,1278 1.429,1279 4.344,1281 5.652,1282 2.398,1283 7.162,1284 4.727,1285 8.762,1286 6.843,1287 10.414,1294 9.464,1295 3.3,1296 5.58,1297 5.508,1300 2.208,1305 38.035,1306 96.534,1307 228.921,1308 276.405,1309 303.076,1310 305.076,1311 307.076,1312 51.488,1313 8.29,1314 117.43,1315 117.43,1316 29,1317 12.795,1318 4.585,1319 3.7,1320 50.086,1321 159,1322 182,1323 0.15,1324 231.367,1325 392.69,1326 556.296,1327 50281,1329 23.33,1330 0.686,1331 0.545,1332 23.33,1333 18.516,1334 16.708,1335 0.44,1336 0.292,1337 10.889,1338 15.887,1339 10.746,1340 8.819,1341 16.708,1342 11.1,1343 14.609,1344 0.281,1345 0.151,1346 14.609,1347 7.833,1348 12.395,1349 0.177,1350 0.08,1351 12.395,1352 5.589,1353 10.824,1354 0.114,1355 0.041,1356 10.824,1357 3.914,1358 8.908,1359 0.072,1360 0.021,1361 8.908,1362 2.633,1363 0.238,1364 105.814,1365 0.195,1366 31.708,1367 0.401,1368 180,1369 550.512,1370 201.297,1371 525.651,1372 723.77,1373 496,1374 212,1375 533.027,1376 233.468,1377 535.892,1378 788.89,1379 506,1380 8.301}
{0 CHEMBL1092072,1 1.739,2 18.422,3 3.872,4 14.993,5 163.047,6 7.809,7 0.449,8 4.49,9 4.618,10 4.084,11 3.938,12 5.621,13 3.952,14 5.065,15 5.256,16 4.498,17 4.324,18 6.469,19 4.327,20 5.268,21 5.471,22 4.496,23 4.494,24 6.408,25 4.453,26 5.378,27 5.617,28 4.519,29 4.513,30 6.503,31 4.465,32 5.353,33 5.578,34 4.565,35 4.502,36 6.594,37 4.476,38 5.308,39 5.515,40 4.484,41 4.532,42 6.439,43 4.476,44 5.377,45 5.616,46 4.467,47 4.513,48 6.51,49 4.438,50 5.294,51 5.522,52 4.408,53 4.436,54 6.512,55 4.357,56 0.188,57 1.427,58 15.354,59 6.637,60 25.54,61 8.685,62 1.35,63 2.527,64 33.861,65 10.565,66 162.449,67 14.328,68 1.09,69 2.504,70 41.54,71 13.647,72 91.391,73 18.918,74 1.007,75 2.601,76 49.167,77 15.28,78 112.628,79 22.102,80 1.299,81 2.755,82 48.079,83 14.414,84 138.792,85 20.015,86 0.903,87 2.636,88 42.81,89 15.458,90 90.436,91 20.682,92 1.324,93 2.652,94 49.919,95 16.164,96 123.349,97 23.163,98 0.97,99 2.621,100 44.354,101 16.817,102 113.875,103 22.367,104 76,105 70,106 0.264,107 0.574,108 0.71,109 0.793,110 0.808,111 0.82,112 3.831,113 0.883,114 -4.71,115 -4.62,116 -4.35,119 38.8,124 3,125 7,132 1,142 9,143 3,144 2,147 1,149 1,151 1,158 1,159 1,161 1,172 9,174 4,175 9,178 2,179 1,180 4,183 8,186 2,187 11,192 4,195 4,198 3,199 14,204 6,207 1,211 2,212 10,217 4,220 3,224 9,227 4,229 2,232 8,236 2,237 3,245 10,249 4,250 2,253 6,255 1,258 8,263 2,266 1,268 1,271 4,275 4723,276 29.618,277 29.618,278 29.618,279 29.618,280 29.618,281 26.914,282 36.963,283 17.32,284 30.658,285 24.213,286 24.213,287 24.213,288 24.213,289 24.213,290 19.912,291 48.376,292 8.31,293 25.932,294 4.583,295 2.536,296 1.638,297 1.088,298 0.988,299 0.913,300 4.529,306 1781,307 5.292,310 128.89,311 629.566,314 226.381,318 2.998,319 65.688,322 0.5,323 0.67,324 0.5,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 101.5,331 829,332 4.681,333 4.269,334 6.856,335 4.219,336 3.288,337 4.629,338 3.02,339 11.454,340 3.089,341 4.255,342 3.678,343 6.458,344 3.935,345 3.09,346 3.804,347 1.656,348 10.182,349 2.909,350 4.197,351 3.562,352 6.332,353 3.921,354 2.947,355 3.788,356 1.2,357 9.392,358 2.737,359 4.11,360 3.342,361 6.107,362 3.765,363 2.793,364 3.358,365 0.86,366 8.937,367 2.549,368 3.91,369 2.893,370 6.039,371 3.585,372 2.626,373 3.227,374 0.8,375 8.65,376 2.513,377 3.83,378 2.788,379 5.571,380 3.52,381 2.617,382 3.111,383 0.8,384 7.632,385 2.316,386 3.73,387 2.615,388 5.343,389 3.362,390 2.4,391 3.012,392 0.293,393 6.947,394 2.298,395 3.416,396 2.559,397 5.091,398 3.158,399 2.228,400 2.631,401 0.247,402 5.845,403 2.073,404 3.249,405 2.414,406 5.047,407 2.966,408 2.004,409 2.326,411 5.739,412 1.92,413 3.146,414 2.311,415 4.666,416 2.856,417 1.937,418 2.236,420 5.102,421 1.765,422 3.043,423 2.135,424 4.595,425 2.742,426 1.773,427 2.162,428 4.849,429 1.703,430 2.949,431 1.868,432 4.407,433 2.437,434 1.479,435 2.086,436 4.234,437 1.413,438 2.709,439 1.859,440 4.341,441 2.33,442 1.439,443 1.78,445 3.842,446 1.272,447 2.5,448 1.535,449 3.761,450 2.075,451 1.154,452 1.5,454 2.905,455 1.057,456 2.5,457 1.288,458 3.571,459 2,460 1,461 1.5,463 2.275,464 1,465 20.557,466 0.457,467 1.381,468 0.031,469 55.75,470 1.239,471 24.5,472 0.544,473 31.25,474 0.694,475 42.818,476 0.952,477 50.843,478 0.636,479 55.151,480 1.226,481 11.528,482 0.256,483 9.935,484 0.221,485 0.147,486 0.024,487 0.321,490 3,493 0.674,494 1.357,495 0.713,496 1.26,497 0.567,498 1.047,499 0.683,500 0.779,501 0.796,502 0.799,503 0.413,504 0.809,505 0.865,506 0.944,507 1.029,508 1.064,509 0.803,510 1.086,511 0.745,512 0.915,513 0.833,514 0.975,515 0.735,516 0.934,517 0.967,518 0.925,519 0.915,520 0.88,521 0.988,522 0.874,523 0.82,524 1.017,525 1.039,526 1.181,527 0.793,528 1.175,529 0.656,530 0.779,531 0.885,532 0.991,533 0.705,534 1.012,535 0.621,536 1.116,537 0.877,538 1.275,539 0.658,540 1.196,541 11,542 0.36,543 5.111,544 3.007,545 2.55,546 2.132,547 1.255,548 0.807,549 0.662,550 0.485,551 40292,552 121714,553 2.037,554 43.8,556 32,557 1,559 2,564 1.823,565 1.882,566 4.068,567 0.182,573 139.139,574 1.739,575 3.786,576 4.684,577 5.234,578 5.334,579 5.409,580 3.5,581 5.075,582 5.46,583 4.357,584 4313.87,585 9.652,586 87295,591 505.754,592 1.594,593 5.405,594 0.224,595 0.008,596 0.073,597 0.043,598 0.036,599 0.029,600 0.018,601 0.012,602 0.011,603 0.01,604 0.465,605 0.17,606 0.63,607 1.33,608 268.856,609 -0.053,610 -0.279,611 0.05,612 -0.153,613 -0.069,614 -0.048,615 0.237,616 0.28,617 0.114,618 0.182,619 0.333,620 0.129,621 -0.051,622 0.027,623 -0.129,624 -0.055,625 -0.064,626 -0.105,627 -0.03,628 -0.105,629 0.099,630 -0.006,631 -0.004,632 0.067,633 -0.04,634 0.034,635 0.044,636 0.093,637 -0.021,638 0.097,639 -0.065,640 -0.066,641 -0.148,642 -0.15,643 -0.063,644 -0.168,645 0.118,646 0.079,647 0.059,648 0.008,649 0.032,650 0.007,651 0.169,652 -0.169,653 0.059,654 -0.223,655 0.125,656 -0.149,657 5.661,658 5.664,659 0.6,660 70.526,661 1.02,662 1.148,663 3.478,664 12.094,665 0.646,666 3.912,667 4.263,668 4.477,669 4.754,670 5.011,671 5.147,672 5.371,673 5.513,674 5.617,675 5.749,676 10.813,677 0.63,678 624.74,679 3.912,680 5.476,681 6.315,682 7.204,683 8.066,684 8.96,685 9.835,686 10.733,687 11.617,688 12.519,689 10,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,719 1,726 1,731 80,733 24,734 2,735 49,737 84,738 31,739 18,740 4,741 8,742 1,746 5,747 6,751 1,752 1,757 1,761 20,762 11,766 2,771 2,775 2,779 3,781 35,782 13,783 2,784 14,790 8,794 0.8,795 3,806 1,807 1,811 1,812 4,815 1,836 1,839 1,840 4,844 3,846 3,848 45,854 7,855 2,856 1,859 3,860 1,869 3,870 3.8,873 2,874 1,877 23.917,878 15.212,879 9.653,880 4.554,881 4.266,882 1.476,883 0.981,884 10.174,885 13.228,886 4.143,887 4.73,888 5.277,889 5.884,890 6.448,891 6.841,892 7.337,893 7.761,894 8.073,895 8.479,896 0.917,897 70,898 17.163,900 7.75,901 8.054,902 31.147,904 25.245,905 2.554,906 114.917,910 388.446,911 176.805,912 80.865,914 61.29,915 44.88,917 176.805,918 449.736,919 125.745,920 25.189,921 58.859,922 94.334,923 101.281,924 69.814,925 18.375,926 376.675,927 7.76,928 388.446,929 257.669,930 106.17,933 390.774,934 95.17,935 11,937 73.357,938 148.413,939 33.571,941 433.327,942 142.154,943 176.805,946 396.206,947 49.523,948 130.795,949 36.022,950 139.741,951 388.446,952 187.035,953 176.805,955 0.589,956 0.318,957 0.168,958 0.097,959 32,960 16,961 0.107,962 9,963 1,964 1.074,965 5.337,966 457.953,967 0.074,968 27,969 228.379,974 32.546,975 14.067,976 8.454,977 0.724,978 185.136,979 16.341,980 9.24,984 2.905,985 1.08,986 36.022,987 752.286,988 62,993 25.292,997 -0.594,999 81.588,1000 91.862,1001 0.275,1002 0.599,1003 0.741,1004 0.828,1005 0.844,1006 0.856,1007 5.409,1008 2.228,1009 6.333,1010 6.947,1011 4.949,1012 5.418,1013 3.249,1014 7.157,1015 4.824,1016 6.623,1017 2.004,1018 7.904,1019 5.845,1020 4.691,1021 5.308,1022 3.223,1023 8.187,1024 4.443,1025 7.938,1026 1.937,1027 9.576,1028 5.739,1029 6.592,1030 7.599,1031 4.703,1032 11.208,1033 6.337,1034 9.286,1035 1.773,1036 11.306,1037 5.102,1038 7.099,1039 8.292,1040 5.51,1041 13.02,1042 6.728,1043 10.664,1044 1.479,1045 13.074,1046 4.849,1047 8.521,1048 10.115,1049 6.702,1050 15.611,1051 8.129,1052 12.064,1053 1.439,1054 14.867,1055 4.234,1056 9.365,1057 11.202,1058 7.735,1059 17.744,1060 8.874,1061 13.482,1062 1.154,1063 16.678,1064 3.842,1065 10.607,1066 12.834,1067 8.86,1068 20.196,1069 10.079,1070 3.288,1071 1,1072 18.504,1073 2.905,1074 11.61,1075 14.13,1076 9.948,1077 22.472,1078 10.999,1079 3.09,1080 11.454,1081 20.341,1082 2.275,1083 12.783,1084 15.684,1085 11.057,1086 24.882,1087 12.125,1088 2.947,1089 10.182,1090 22.187,1091 4.629,1092 13.861,1093 17.09,1094 12.158,1095 27.225,1096 13.131,1097 2.793,1098 9.392,1099 24.04,1100 3.804,1101 15.013,1102 18.616,1103 13.264,1104 29.627,1105 14.23,1106 2.626,1107 8.937,1108 25.9,1109 3.788,1110 16.129,1111 20.079,1112 14.368,1113 32.005,1114 15.279,1115 2.617,1116 8.65,1117 27.765,1118 3.358,1119 17.277,1120 21.598,1121 15.474,1122 34.41,1123 16.371,1124 2.4,1125 7.632,1126 29.635,1127 3.227,1128 18.414,1129 23.092,1130 16.579,1131 36.808,1132 17.444,1133 38513,1134 67401,1135 32.016,1136 51.643,1137 74.554,1138 75.645,1139 75.561,1140 74.067,1141 73.736,1142 92.381,1143 17.752,1144 215.068,1145 69.167,1146 5.681,1147 6.269,1148 6.658,1149 5.323,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.089,1155 27.924,1156 1.522,1157 1.544,1158 1.542,1159 1.512,1160 1.505,1161 1.885,1162 0.362,1163 4.389,1164 1.412,1165 4.145,1166 4.189,1167 4.12,1168 4.007,1169 8.513,1170 4.029,1171 3.961,1172 3.994,1173 3.91,1174 3.867,1175 7.999,1176 3.872,1177 3.883,1178 3.915,1179 3.829,1180 3.809,1181 7.999,1182 3.809,1183 3.748,1184 3.808,1185 3.646,1186 3.52,1187 7.432,1188 3.538,1189 3.711,1190 3.79,1191 3.591,1192 3.493,1193 7.427,1194 3.505,1195 3.542,1196 3.596,1197 3.512,1198 3.27,1199 5.08,1200 3.313,1201 3.491,1202 3.558,1203 3.418,1204 3.225,1205 4.739,1206 3.258,1207 3.387,1208 3.446,1209 3.292,1210 3.128,1211 4.7,1212 3.161,1213 0.096,1214 0.087,1215 0.14,1216 0.086,1217 0.067,1218 4.681,1219 0.094,1220 4.269,1221 0.062,1222 6.856,1223 0.234,1224 4.219,1225 0.063,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.089,1231 1.953,1232 1.923,1233 2.033,1234 2.09,1235 1.223,1236 2.069,1237 1.912,1238 1.887,1239 2.01,1240 2.031,1241 1.167,1242 2.024,1243 1.796,1244 1.758,1245 1.935,1246 1.958,1247 1.11,1248 1.955,1249 1.66,1250 1.582,1251 1.903,1252 1.907,1253 1.076,1254 1.908,1255 1.64,1256 1.578,1257 1.779,1258 1.893,1259 0.993,1260 1.867,1261 1.558,1262 1.51,1263 1.716,1264 1.752,1265 0.857,1266 1.737,1267 1.412,1268 1.335,1269 1.697,1270 1.695,1271 0.825,1272 1.697,1273 1.272,1274 1.218,1275 1.513,1276 1.553,1277 0.78,1278 1.519,1279 4.595,1281 5.938,1282 2.398,1283 7.453,1284 4.727,1285 9.048,1286 6.843,1287 10.689,1289 5.632,1291 39.873,1295 2.264,1296 5.495,1297 5.444,1300 5.631,1301 -4.411,1305 50.367,1306 139.139,1307 302.844,1308 374.721,1309 418.735,1310 426.735,1311 432.735,1312 112.27,1313 8.961,1314 107.86,1315 107.86,1316 29,1317 13.043,1318 4.644,1319 3.807,1320 77.203,1321 297,1322 322,1323 0.125,1324 305.975,1325 540.36,1326 738.339,1327 122871,1328 3.8,1329 32.139,1330 0.714,1331 0.561,1332 29.639,1333 25.265,1334 21.463,1335 0.438,1336 0.294,1337 14.082,1338 20.219,1339 13.756,1340 11.355,1341 20.317,1342 14.417,1343 20.669,1344 0.295,1345 0.158,1346 18.313,1347 11.03,1348 15.617,1349 0.18,1350 0.084,1351 15.267,1352 7.279,1353 12.986,1354 0.113,1355 0.042,1356 12.452,1357 4.879,1358 10.767,1359 0.072,1360 0.023,1361 10.201,1362 3.386,1363 0.205,1364 137.409,1365 0.177,1366 40.297,1367 0.32,1368 238,1369 910.076,1370 279.198,1371 789.074,1372 1040.86,1373 734,1374 276,1375 735.909,1376 311.121,1377 724.847,1378 1076.63,1379 677,1380 9.046}
{0 CHEMBL1092073,1 1.758,2 18.386,3 3.666,4 13.441,5 158.151,6 7.931,7 0.458,8 4.457,9 4.584,10 4.061,11 3.908,12 5.6,13 3.926,14 5.026,15 5.21,16 4.474,17 4.292,18 6.46,19 4.297,20 5.236,21 5.445,22 4.454,23 4.445,24 6.379,25 4.405,26 5.306,27 5.545,28 4.475,29 4.448,30 6.442,31 4.406,32 5.281,33 5.502,34 4.516,35 4.423,36 6.553,37 4.406,38 5.22,39 5.426,40 4.455,41 4.443,42 6.376,43 4.407,44 5.259,45 5.466,46 4.45,47 4.457,48 6.464,49 4.402,50 5.276,51 5.505,52 4.392,53 4.417,54 6.504,55 4.338,56 0.211,57 1.389,58 14.401,59 6.343,60 27.135,61 8.14,62 1.321,63 2.464,64 31.632,65 10.278,66 164.209,67 13.621,68 1.15,69 2.406,70 40.427,71 12.989,72 98.773,73 17.943,74 0.96,75 2.464,76 45.159,77 14.086,78 98.299,79 20.317,80 1.279,81 2.59,82 44.286,83 13.282,84 140.982,85 18.128,86 0.929,87 2.453,88 39.089,89 13.703,90 93.543,91 18.085,92 1.215,93 2.526,94 41.245,95 14.215,96 107.266,97 19.401,98 0.987,99 2.575,100 43.356,101 16.771,102 116.349,103 22.195,104 61,105 68,106 0.268,107 0.593,108 0.722,109 0.793,110 0.809,111 0.821,112 3.81,113 0.877,114 -4.52,115 -4.45,116 -4.19,119 39,124 2,125 7,132 1,142 9,143 3,144 2,147 1,149 1,151 1,158 1,159 1,161 1,172 9,174 3,175 8,178 3,179 1,180 5,183 8,186 1,187 9,190 1,192 6,195 4,198 3,199 12,204 8,207 1,211 2,212 10,217 4,220 3,224 9,227 3,228 1,229 2,232 8,236 2,237 3,245 10,249 3,250 2,253 6,254 1,255 1,258 8,263 2,266 1,268 1,271 4,275 4576,276 29.118,277 29.118,278 29.118,279 29.118,280 29.118,281 26.389,282 36.346,283 17.164,284 30.109,285 23.756,286 23.756,287 23.756,288 23.756,289 23.756,290 19.434,291 47.422,292 8.253,293 25.406,294 4.509,295 2.381,296 1.533,297 1.068,298 0.964,299 0.887,300 4.509,306 1742,307 5.099,310 124.671,311 610.851,314 219.037,318 3.033,319 65.328,322 0.5,323 0.67,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 99.5,331 809,332 4.681,333 4.269,334 6.856,335 4.219,336 3.288,337 4.629,338 3.02,339 11.454,340 3.089,341 4.204,342 3.568,343 6.458,344 3.921,345 3.09,346 3.796,347 1.656,348 10.182,349 2.829,350 4.188,351 3.55,352 6.107,353 3.834,354 2.837,355 3.77,356 1.058,357 8.938,358 2.736,359 4.109,360 3.342,361 6.039,362 3.762,363 2.786,364 3.357,365 0.86,366 8.65,367 2.547,368 3.883,369 2.893,370 6.03,371 3.555,372 2.622,373 3.201,374 0.8,375 8.596,376 2.491,377 3.827,378 2.788,379 5.557,380 3.52,381 2.585,382 3.074,383 0.8,384 7.59,385 2.309,386 3.696,387 2.584,388 5.31,389 3.318,390 2.35,391 3.012,392 0.247,393 6.871,394 2.269,395 3.367,396 2.558,397 5.091,398 3.132,399 2.215,400 2.59,402 5.74,403 2.03,404 3.221,405 2.412,406 4.685,407 2.916,408 1.956,409 2.237,411 5.203,412 1.892,413 3.145,414 2.311,415 4.653,416 2.85,417 1.894,418 2.232,420 5.079,421 1.763,422 2.962,423 1.892,424 4.414,425 2.479,426 1.518,427 2.158,428 4.261,429 1.453,430 2.84,431 1.868,432 4.341,433 2.418,434 1.456,435 1.887,436 3.845,437 1.397,438 2.709,439 1.535,440 4.164,441 2.33,442 1.436,443 1.779,445 3.778,446 1.272,447 2.5,448 1.498,449 3.761,450 2.074,451 1.153,452 1.5,454 2.905,455 1.057,456 2.5,457 1.288,458 3.433,459 2,460 1,461 1.5,463 2.275,464 1,465 20.057,466 0.456,467 1.291,468 0.029,469 55,470 1.25,471 24.5,472 0.557,473 30.5,474 0.693,475 40.568,476 0.922,477 49.543,478 0.643,479 53.379,480 1.213,481 11.366,482 0.258,483 9.687,484 0.22,485 0.126,486 0.025,487 0.309,490 3,493 0.684,494 1.313,495 0.706,496 1.219,497 0.571,498 1.016,499 0.662,500 0.809,501 0.804,502 0.858,503 0.412,504 0.86,505 0.873,506 0.913,507 1.024,508 1.016,509 0.814,510 1.054,511 0.709,512 0.921,513 0.814,514 0.98,515 0.663,516 0.931,517 0.989,518 0.953,519 0.918,520 0.898,521 1.037,522 0.883,523 0.867,524 0.977,525 0.974,526 1.063,527 0.824,528 1.049,529 0.734,530 0.847,531 1,532 1.099,533 0.785,534 1.134,535 0.59,536 1.109,537 0.855,538 1.292,539 0.635,540 1.207,541 10.5,542 0.327,543 4.667,544 2.757,545 2.23,546 2.105,547 1.174,548 0.807,549 0.612,550 0.485,551 38157,552 117839,553 2.051,554 42.9,556 29,557 1,559 3,564 1.818,565 1.906,566 4.054,567 0.786,573 135.361,574 1.758,575 3.886,576 4.734,577 5.198,578 5.302,579 5.38,580 3.504,581 4.971,582 5.425,583 4.347,584 4112.34,585 9.586,586 81825.2,591 482.543,592 1.555,593 5.379,594 0.219,595 0.008,596 0.069,597 0.041,598 0.033,599 0.03,600 0.018,601 0.013,602 0.011,603 0.01,604 0.45,605 0.17,606 0.63,607 1.324,608 261.257,609 -0.065,610 -0.244,611 0.042,612 -0.124,613 -0.071,614 -0.03,615 0.245,616 0.25,617 0.09,618 0.131,619 0.336,620 0.078,621 -0.057,622 0.036,623 -0.117,624 -0.021,625 -0.075,626 -0.076,627 -0.019,628 -0.107,629 0.114,630 -0.014,631 0.014,632 0.072,633 -0.043,634 0.009,635 0.043,636 0.073,637 -0.036,638 0.084,639 -0.076,640 -0.024,641 -0.075,642 -0.048,643 -0.058,644 -0.055,645 0.077,646 0.081,647 -0.091,648 -0.082,649 -0.006,650 -0.135,651 0.184,652 -0.18,653 0.083,654 -0.233,655 0.137,656 -0.147,657 5.66,658 5.608,659 0.614,660 69.591,661 1.022,662 1.149,663 3.291,664 10.831,665 0.648,666 3.892,667 4.234,668 4.443,669 4.727,670 4.984,671 5.136,672 5.352,673 5.497,674 5.602,675 5.743,676 10.691,677 0.634,678 610.71,679 3.892,680 5.451,681 6.286,682 7.172,683 8.03,684 8.924,685 9.796,686 10.694,687 11.577,688 12.479,689 10.4,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,718 1,726 1,731 77,733 24,734 2,735 48,737 81,738 30,739 18,740 4,741 8,742 1,746 5,747 6,751 1,752 1,757 1,761 20,762 10,766 2,771 2,775 2,779 3,781 33,782 13,783 3,784 14,790 8,794 0.8,795 3,806 1,807 1,811 1,812 4,815 1,836 1,839 1,840 4,844 2,846 3,848 44,854 7,855 3,856 1,859 2,860 1,869 3,870 3.9,873 2,874 1,877 23.083,878 14.262,879 9.458,880 4.392,881 4.258,882 1.478,883 0.988,884 9.939,885 13.17,886 4.127,887 4.712,888 5.257,889 5.873,890 6.438,891 6.834,892 7.326,893 7.752,894 8.066,895 8.477,896 0.917,897 67,898 16.781,900 7.601,901 8.078,902 30.366,904 24.626,905 2.578,906 113.417,910 353.133,911 168.408,912 95.751,914 61.29,915 44.88,917 168.408,918 414.423,919 140.631,920 16.793,921 73.746,922 94.334,923 101.281,924 69.814,925 18.375,926 341.362,927 7.76,928 353.133,929 264.159,930 106.17,933 355.461,934 95.17,935 11,937 88.244,938 140.017,939 33.571,941 398.013,942 157.041,943 168.408,946 360.893,947 49.523,948 119.274,949 54.032,950 139.741,951 353.133,952 201.921,953 168.408,955 0.586,956 0.312,957 0.167,958 0.095,959 31,960 15,961 0.111,962 9,963 1,964 1.074,965 5.31,966 442.685,967 0.074,968 27,969 221.46,974 31.577,975 13.85,976 8.419,977 0.723,978 200.022,979 16.221,980 9.228,984 2.858,985 1.078,986 54.032,987 723.463,988 61,993 24.868,997 -0.685,999 78.705,1000 88.447,1001 0.281,1002 0.62,1003 0.755,1004 0.83,1005 0.846,1006 0.859,1007 5.387,1008 2.215,1009 6.297,1010 6.871,1011 4.92,1012 5.4,1013 3.224,1014 7.112,1015 4.798,1016 6.597,1017 1.956,1018 7.86,1019 5.74,1020 4.635,1021 5.278,1022 3.208,1023 8.132,1024 4.391,1025 7.91,1026 1.894,1027 9.524,1028 5.203,1029 6.553,1030 7.583,1031 4.694,1032 11.149,1033 6.301,1034 9.256,1035 1.518,1036 11.248,1037 5.079,1038 7.04,1039 8.27,1040 5.507,1041 12.962,1042 6.669,1043 10.633,1044 1.456,1045 13.01,1046 4.261,1047 8.472,1048 10.1,1049 6.7,1050 15.547,1051 8.081,1052 12.032,1053 1.436,1054 14.799,1055 3.845,1056 9.305,1057 11.185,1058 7.735,1059 17.685,1060 8.81,1061 13.448,1062 1.153,1063 16.607,1064 3.778,1065 10.552,1066 12.822,1067 8.86,1068 20.135,1069 10.02,1070 3.288,1071 1,1072 18.43,1073 2.905,1074 11.548,1075 14.117,1076 9.948,1077 22.417,1078 10.927,1079 3.09,1080 11.454,1081 20.264,1082 2.275,1083 12.724,1084 15.674,1085 11.057,1086 24.828,1087 12.054,1088 2.837,1089 10.182,1090 22.108,1091 4.629,1092 13.8,1093 17.08,1094 12.158,1095 27.177,1096 13.051,1097 2.786,1098 8.938,1099 23.959,1100 3.796,1101 14.953,1102 18.608,1103 13.264,1104 29.582,1105 14.148,1106 2.622,1107 8.65,1108 25.818,1109 3.77,1110 16.069,1111 20.072,1112 14.368,1113 31.966,1114 15.192,1115 2.585,1116 8.596,1117 27.682,1118 3.357,1119 17.219,1120 21.592,1121 15.474,1122 34.375,1123 16.282,1124 2.35,1125 7.59,1126 29.552,1127 3.201,1128 18.357,1129 23.086,1130 16.579,1131 36.778,1132 17.352,1133 36417,1134 64397,1135 31.611,1136 49.881,1137 72.822,1138 73.676,1139 73.296,1140 72.199,1141 71.942,1142 90.606,1143 16.883,1144 208.025,1145 67.566,1146 5.681,1147 6.269,1148 6.658,1149 5.323,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.089,1155 25.822,1156 1.517,1157 1.535,1158 1.527,1159 1.504,1160 1.499,1161 1.888,1162 0.352,1163 4.334,1164 1.408,1165 4.144,1166 4.189,1167 4.119,1168 4.006,1169 8.513,1170 4.028,1171 3.956,1172 3.989,1173 3.905,1174 3.864,1175 7.999,1176 3.869,1177 3.882,1178 3.913,1179 3.828,1180 3.808,1181 7.999,1182 3.809,1183 3.748,1184 3.808,1185 3.646,1186 3.519,1187 7.432,1188 3.538,1189 3.692,1190 3.776,1191 3.561,1192 3.467,1193 7.428,1194 3.477,1195 3.54,1196 3.591,1197 3.512,1198 3.267,1199 5.08,1200 3.312,1201 3.468,1202 3.52,1203 3.415,1204 3.198,1205 4.739,1206 3.241,1207 3.34,1208 3.409,1209 3.251,1210 3.091,1211 4.701,1212 3.119,1213 0.098,1214 0.089,1215 0.143,1216 0.088,1217 0.069,1218 4.681,1219 0.096,1220 4.269,1221 0.063,1222 6.856,1223 0.239,1224 4.219,1225 0.064,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.089,1231 1.953,1232 1.922,1233 2.032,1234 2.09,1235 1.223,1236 2.069,1237 1.909,1238 1.884,1239 2.007,1240 2.025,1241 1.139,1242 2.019,1243 1.796,1244 1.758,1245 1.934,1246 1.956,1247 1.109,1248 1.954,1249 1.643,1250 1.58,1251 1.894,1252 1.903,1253 1.076,1254 1.9,1255 1.639,1256 1.558,1257 1.779,1258 1.889,1259 0.993,1260 1.867,1261 1.558,1262 1.51,1263 1.716,1264 1.751,1265 0.857,1266 1.737,1267 1.351,1268 1.295,1269 1.619,1270 1.643,1271 0.825,1272 1.626,1273 1.249,1274 1.182,1275 1.513,1276 1.531,1277 0.727,1278 1.51,1279 4.575,1281 5.911,1282 2.398,1283 7.42,1284 4.727,1285 9.01,1286 6.843,1287 10.648,1289 3.846,1291 39.828,1295 2.169,1296 8.301,1297 5.439,1300 3.953,1301 -4.41,1305 48.841,1306 135.361,1307 299.236,1308 364.529,1309 400.278,1310 408.278,1311 414.278,1312 107.095,1313 8.912,1314 116.65,1315 116.65,1316 29,1317 13.004,1318 4.644,1319 3.807,1320 74.55,1321 284,1322 330,1323 0.126,1324 296.383,1325 523.06,1326 714.934,1327 115741,1328 3.9,1329 31.269,1330 0.711,1331 0.553,1332 28.769,1333 24.318,1334 21.053,1335 0.439,1336 0.292,1337 13.711,1338 19.842,1339 13.455,1340 11.079,1341 19.906,1342 14.034,1343 20.164,1344 0.297,1345 0.155,1346 17.807,1347 10.559,1348 15.022,1349 0.179,1350 0.082,1351 14.672,1352 6.909,1353 12.789,1354 0.114,1355 0.042,1356 12.256,1357 4.711,1358 10.405,1359 0.072,1360 0.022,1361 9.839,1362 3.147,1363 0.206,1364 134.739,1365 0.178,1366 39.637,1367 0.322,1368 232,1369 898.764,1370 272.837,1371 778.11,1372 1025.66,1373 724,1374 268,1375 724.134,1376 301.956,1377 711.091,1378 1056.73,1379 666,1380 8.854}
{0 CHEMBL1092074,1 1.753,2 18.378,3 3.691,4 13.621,5 161.078,6 7.984,7 0.44,8 4.48,9 4.604,10 4.098,11 3.943,12 5.6,13 3.961,14 5.067,15 5.248,16 4.525,17 4.347,18 6.471,19 4.352,20 5.299,21 5.509,22 4.519,23 4.516,24 6.411,25 4.476,26 5.361,27 5.59,28 4.521,29 4.519,30 6.494,31 4.471,32 5.337,33 5.561,34 4.551,35 4.481,36 6.587,37 4.457,38 5.245,39 5.446,40 4.47,41 4.489,42 6.378,43 4.444,44 5.295,45 5.516,46 4.452,47 4.479,48 6.449,49 4.413,50 5.273,51 5.507,52 4.39,53 4.396,54 6.487,55 4.322,56 0.203,57 1.425,58 14.384,59 6.536,60 26.844,61 8.268,62 1.333,63 2.577,64 32.306,65 10.668,66 160.923,67 13.984,68 1.19,69 2.573,70 42.741,71 13.92,72 98.055,73 19.041,74 0.995,75 2.607,76 46.866,77 15.439,78 107.533,79 21.572,80 1.336,81 2.706,82 47.176,83 14.638,84 150.352,85 19.714,86 0.906,87 2.55,88 39.094,89 14.365,90 88.913,91 18.687,92 1.189,93 2.592,94 43.303,95 15.033,96 98.882,97 20.853,98 1.015,99 2.558,100 43.7,101 16.379,102 116.629,103 21.78,104 39,105 72,106 0.266,107 0.576,108 0.703,109 0.788,110 0.804,111 0.815,112 3.832,113 0.879,114 -4.71,115 -4.62,116 -4.35,119 39.7,124 1,125 9,132 1,142 9,143 3,144 2,147 1,149 1,151 1,158 1,159 1,161 1,172 9,174 4,175 9,178 2,179 1,180 4,183 8,186 2,187 11,192 4,195 4,198 3,199 14,204 6,207 1,211 2,212 10,217 4,220 3,224 9,227 4,229 2,232 8,236 2,237 3,245 10,249 4,250 2,253 6,255 1,258 8,263 2,266 1,268 1,271 4,275 4641,276 30.065,277 30.065,278 30.065,279 30.065,280 30.065,281 27.362,282 38.081,283 17.512,284 31.108,285 24.723,286 24.723,287 24.723,288 24.723,289 24.723,290 20.429,291 50.876,292 8.407,293 26.463,294 4.533,295 2.492,296 1.658,297 1.096,298 0.994,299 0.917,300 4.54,306 1820,307 4.583,310 126.713,311 799.336,314 222.443,318 2.958,319 66.547,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 101.5,331 827,332 4.681,333 4.269,334 6.856,335 4.219,336 3.288,337 4.629,338 3.02,339 11.454,340 3.089,341 4.267,342 3.695,343 6.458,344 3.965,345 3.09,346 3.806,347 1.656,348 10.182,349 2.928,350 4.197,351 3.562,352 6.393,353 3.921,354 2.984,355 3.789,356 1.2,357 9.676,358 2.737,359 4.11,360 3.342,361 6.107,362 3.766,363 2.794,364 3.358,365 0.86,366 8.937,367 2.551,368 3.92,369 2.893,370 6.039,371 3.599,372 2.638,373 3.234,374 0.8,375 8.65,376 2.523,377 3.831,378 2.789,379 5.578,380 3.52,381 2.621,382 3.117,383 0.8,384 7.651,385 2.343,386 3.742,387 2.773,388 5.381,389 3.411,390 2.458,391 3.012,392 0.293,393 7.022,394 2.305,395 3.49,396 2.568,397 5.223,398 3.27,399 2.319,400 2.659,401 0.247,402 6.492,403 2.197,404 3.338,405 2.414,406 5.091,407 2.967,408 2.004,409 2.461,411 5.741,412 1.926,413 3.146,414 2.311,415 4.917,416 2.856,417 1.937,418 2.236,420 5.621,421 1.765,422 3.044,423 2.157,424 4.65,425 2.746,426 1.778,427 2.172,428 4.986,429 1.706,430 2.949,431 1.868,432 4.409,433 2.437,434 1.479,435 2.092,436 4.238,437 1.413,438 2.709,439 1.863,440 4.341,441 2.33,442 1.439,443 1.78,445 3.842,446 1.272,447 2.5,448 1.535,449 3.762,450 2.075,451 1.154,452 1.5,454 2.905,455 1.057,456 2.5,457 1.288,458 3.676,459 2,460 1,461 1.5,463 2.275,464 1,465 20.557,466 0.457,467 1.305,468 0.029,469 56.25,470 1.25,471 24.5,472 0.544,473 31.75,474 0.706,475 42.431,476 0.943,477 50.243,478 0.644,479 54.057,480 1.201,481 11.445,482 0.254,483 10.18,484 0.226,485 0.098,486 0.024,487 0.321,490 3,493 0.669,494 1.317,495 0.687,496 1.216,497 0.553,498 1.008,499 0.666,500 0.822,501 0.814,502 0.862,503 0.405,504 0.867,505 0.854,506 0.875,507 1.015,508 0.987,509 0.765,510 1.03,511 0.735,512 0.92,513 0.871,514 1.033,515 0.73,516 0.998,517 0.968,518 0.914,519 0.897,520 0.879,521 1.046,522 0.868,523 0.84,524 0.992,525 1.023,526 1.116,527 0.794,528 1.12,529 0.635,530 0.846,531 0.945,532 1.102,533 0.651,534 1.122,535 0.618,536 1.091,537 0.84,538 1.229,539 0.65,540 1.149,541 10.5,542 0.356,543 5.111,544 3.007,545 2.532,546 2.091,547 1.233,548 0.813,549 0.617,550 0.475,551 42397,552 125547,553 2.101,554 42.3,556 30,557 1,559 2,564 1.823,565 1.964,566 4.065,567 0.182,573 136.707,574 1.753,575 3.793,576 4.627,577 5.189,578 5.292,579 5.369,580 3.494,581 5.031,582 5.462,583 4.339,584 4295.71,585 9.652,586 86465.7,591 490.261,592 1.517,593 5.418,594 0.21,595 0.008,596 0.071,597 0.042,598 0.036,599 0.029,600 0.018,601 0.013,602 0.011,603 0.01,604 0.446,605 0.17,606 0.63,607 0.754,608 268.479,609 -0.056,610 -0.259,611 0.053,612 -0.134,613 -0.059,614 -0.034,615 0.23,616 0.232,617 0.071,618 0.116,619 0.324,620 0.062,621 -0.057,622 0.059,623 -0.109,624 -0.002,625 -0.055,626 -0.056,627 -0.031,628 -0.109,629 0.054,630 -0.057,631 -0.005,632 0.008,633 -0.031,634 0.017,635 0.072,636 0.098,637 -0.032,638 0.112,639 -0.076,640 -0.037,641 -0.136,642 -0.099,643 -0.067,644 -0.126,645 0.121,646 0.052,647 -0.024,648 -0.092,649 0.036,650 -0.109,651 0.181,652 -0.173,653 0.119,654 -0.193,655 0.137,656 -0.099,657 5.659,658 5.778,659 0.733,660 68.459,661 1.022,662 1.147,663 3.478,664 12.094,665 0.652,666 3.932,667 4.29,668 4.533,669 4.82,670 5.088,671 5.215,672 5.425,673 5.568,674 5.673,675 5.811,676 10.704,677 0.639,678 622.72,679 3.932,680 5.501,681 6.351,682 7.244,683 8.112,684 9.008,685 9.887,686 10.787,687 11.673,688 12.576,689 10.3,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,719 1,726 1,731 78,733 24,734 2,735 50,737 83,738 31,739 18,740 4,741 8,742 1,746 6,747 7,751 1,752 1,757 1,761 20,762 11,766 2,771 2,775 2,779 3,781 33,782 13,783 2,784 14,790 8,794 0.833,795 3,806 1,807 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,846 3,848 45,854 9,855 2,856 1,859 3,860 1,869 3,870 3.8,873 2,874 1,877 22.917,878 14.212,879 9.569,880 4.604,881 4.305,882 1.467,883 1.006,884 9.175,885 13.517,886 4.159,887 4.747,888 5.303,889 5.909,890 6.47,891 6.86,892 7.352,893 7.778,894 8.092,895 8.497,896 0.917,897 72,898 17.194,900 7.904,901 8.031,902 31.366,904 26.067,905 2.531,906 113.917,910 364.904,911 164.223,912 80.865,914 61.29,915 44.88,917 164.223,918 426.194,919 125.745,920 8.396,921 63.071,922 94.334,923 101.281,924 69.814,925 18.375,926 353.133,927 7.76,928 364.904,929 245.088,930 106.17,933 367.232,934 95.17,935 11,937 77.569,938 131.62,939 33.571,941 409.785,942 142.154,943 164.223,946 372.664,947 53.734,948 114.002,949 36.022,950 139.741,951 364.904,952 187.035,953 164.223,955 0.591,956 0.326,957 0.176,958 0.102,959 35,960 16,961 0.072,962 6,963 1,964 1.061,965 5.412,966 469.055,967 0.061,968 33,969 223.624,974 31.151,975 13.254,976 7.523,977 0.73,978 185.136,979 16.486,980 9.249,984 2.985,985 1.083,986 36.022,987 716.162,988 63,993 25.462,997 -0.508,999 79.705,1000 89.447,1001 0.279,1002 0.603,1003 0.736,1004 0.826,1005 0.842,1006 0.854,1007 5.432,1008 2.319,1009 6.365,1010 7.022,1011 4.977,1012 5.436,1013 3.249,1014 7.194,1015 4.853,1016 6.64,1017 2.004,1018 7.936,1019 6.492,1020 4.691,1021 5.308,1022 3.223,1023 8.217,1024 4.443,1025 7.956,1026 1.937,1027 9.608,1028 5.741,1029 6.624,1030 7.611,1031 4.703,1032 11.247,1033 6.368,1034 9.302,1035 1.778,1036 11.338,1037 5.621,1038 7.116,1039 8.297,1040 5.51,1041 13.055,1042 6.743,1043 10.68,1044 1.479,1045 13.105,1046 4.986,1047 8.555,1048 10.122,1049 6.702,1050 15.648,1051 8.161,1052 12.08,1053 1.439,1054 14.898,1055 4.238,1056 9.39,1057 11.206,1058 7.735,1059 17.779,1060 8.898,1061 13.498,1062 1.154,1063 16.709,1064 3.842,1065 10.64,1066 12.838,1067 8.86,1068 20.23,1069 10.11,1070 3.288,1071 1,1072 18.534,1073 2.905,1074 11.638,1075 14.133,1076 9.948,1077 22.505,1078 11.026,1079 3.09,1080 11.454,1081 20.371,1082 2.275,1083 12.815,1084 15.687,1085 11.057,1086 24.913,1087 12.155,1088 2.984,1089 10.182,1090 22.216,1091 4.629,1092 13.89,1093 17.092,1094 12.158,1095 27.255,1096 13.159,1097 2.794,1098 9.676,1099 24.069,1100 3.806,1101 15.043,1102 18.617,1103 13.264,1104 29.655,1105 14.259,1106 2.638,1107 8.937,1108 25.929,1109 3.789,1110 16.158,1111 20.081,1112 14.368,1113 32.032,1114 15.308,1115 2.621,1116 8.65,1117 27.793,1118 3.358,1119 17.306,1120 21.599,1121 15.474,1122 34.435,1123 16.401,1124 2.458,1125 7.651,1126 29.663,1127 3.234,1128 18.441,1129 23.093,1130 16.579,1131 36.83,1132 17.474,1133 39286,1134 68038,1135 33.402,1136 50.881,1137 76.504,1138 77.452,1139 77.051,1140 75.869,1141 75.579,1142 94.233,1143 17.752,1144 221.958,1145 70.953,1146 5.681,1147 6.269,1148 6.658,1149 5.323,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.089,1155 23.953,1156 1.53,1157 1.549,1158 1.541,1159 1.517,1160 1.512,1161 1.885,1162 0.355,1163 4.439,1164 1.419,1165 4.145,1166 4.19,1167 4.12,1168 4.007,1169 8.513,1170 4.029,1171 3.971,1172 4.009,1173 3.918,1174 3.871,1175 7.999,1176 3.877,1177 3.887,1178 3.922,1179 3.832,1180 3.809,1181 7.999,1182 3.81,1183 3.792,1184 3.856,1185 3.685,1186 3.6,1187 7.432,1188 3.611,1189 3.747,1190 3.806,1191 3.645,1192 3.517,1193 7.427,1194 3.537,1195 3.538,1196 3.589,1197 3.511,1198 3.265,1199 5.08,1200 3.31,1201 3.451,1202 3.494,1203 3.409,1204 3.182,1205 4.739,1206 3.23,1207 3.289,1208 3.356,1209 3.219,1210 3.058,1211 4.7,1212 3.087,1213 0.094,1214 0.085,1215 0.137,1216 0.084,1217 0.066,1218 4.681,1219 0.093,1220 4.269,1221 0.06,1222 6.856,1223 0.229,1224 4.219,1225 0.062,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.089,1231 1.953,1232 1.923,1233 2.036,1234 2.09,1235 1.287,1236 2.07,1237 1.917,1238 1.89,1239 2.022,1240 2.054,1241 1.223,1242 2.047,1243 1.797,1244 1.758,1245 1.952,1246 1.974,1247 1.11,1248 1.969,1249 1.748,1250 1.677,1251 1.934,1252 1.937,1253 1.082,1254 1.942,1255 1.64,1256 1.58,1257 1.779,1258 1.898,1259 0.993,1260 1.867,1261 1.558,1262 1.51,1263 1.716,1264 1.75,1265 0.857,1266 1.736,1267 1.315,1268 1.271,1269 1.555,1270 1.6,1271 0.825,1272 1.565,1273 1.205,1274 1.138,1275 1.513,1276 1.49,1277 0.825,1278 1.489,1279 4.615,1281 5.964,1282 2.398,1283 7.492,1284 4.727,1285 9.098,1286 6.843,1287 10.749,1289 2.03,1291 39.885,1295 3.961,1296 5.521,1297 5.447,1300 5.995,1301 -4.409,1305 49.841,1306 136.707,1307 295.868,1308 360.919,1309 404.752,1310 412.752,1311 418.752,1312 100.641,1313 9.212,1314 107.86,1315 107.86,1316 35,1317 13.099,1318 4.644,1319 3.807,1320 68.894,1321 295,1322 322,1323 0.112,1324 298.582,1325 528,1326 720.299,1327 171849,1328 3.8,1329 31.553,1330 0.701,1331 0.548,1332 29.053,1333 24.679,1334 21.625,1335 0.433,1336 0.293,1337 14.329,1338 20.396,1339 14.119,1340 11.534,1341 20.479,1342 14.655,1343 20.741,1344 0.288,1345 0.154,1346 18.384,1347 11.096,1348 16.324,1349 0.177,1350 0.085,1351 15.974,1352 7.84,1353 13.858,1354 0.113,1355 0.044,1356 13.325,1357 5.4,1358 11.537,1359 0.072,1360 0.024,1361 10.971,1362 3.787,1363 0.183,1364 138.21,1365 0.173,1366 40.291,1367 0.287,1368 244,1369 916.076,1370 285.864,1371 793.495,1372 1053.18,1373 740,1374 286,1375 750.613,1376 321.815,1377 735.341,1378 1099.02,1379 691,1380 8.62}
{0 CHEMBL1092110,1 1.585,2 14.763,3 2.168,4 4.7,5 145.884,6 7.381,7 0.372,8 4.367,9 4.488,10 3.936,11 3.85,12 5.419,13 3.849,14 4.952,15 5.135,16 4.336,17 4.279,18 5.977,19 4.265,20 5.191,21 5.387,22 4.362,23 4.434,24 6.219,25 4.375,26 5.261,27 5.509,28 4.293,29 4.428,30 6.204,31 4.34,32 5.165,33 5.382,34 4.326,35 4.382,36 6.22,37 4.32,38 5.176,39 5.381,40 4.367,41 4.393,42 6.239,43 4.344,44 5.182,45 5.378,46 4.366,47 4.355,48 6.387,49 4.309,50 5.153,51 5.383,52 4.146,53 4.302,54 6.116,55 4.217,56 0.056,57 1.081,58 14.839,59 6.054,60 9.626,61 8.175,62 0.481,63 1.758,64 30.123,65 10.039,66 33.847,67 13.979,68 0.68,69 2.078,70 39.645,71 13.619,72 60.239,73 18.794,74 0.571,75 2.14,76 44.516,77 14.942,78 60.409,79 21.66,80 0.665,81 1.982,82 39.369,83 13.349,84 64.145,85 18.87,86 0.573,87 2.005,88 39.29,89 13.38,90 55.703,91 18.674,92 0.99,93 1.957,94 40.302,95 12.924,96 115.991,97 17.949,98 0.582,99 1.851,100 40.049,101 13.331,102 63.788,103 18.656,104 32,105 63,106 0.247,107 0.606,108 0.779,109 0.842,110 0.842,111 0.842,112 3.668,113 0.905,114 -2.42,115 -2.45,116 -2.4,119 40,121 2,124 3,125 4,127 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,159 1,161 1,172 5,174 1,175 12,178 2,179 1,180 2,183 4,186 2,187 10,190 1,192 2,195 4,198 2,199 8,204 2,207 4,211 2,212 6,215 3,217 2,220 8,223 3,224 3,229 1,232 5,236 6,237 12,240 2,242 1,245 4,250 8,255 2,258 2,262 1,263 5,266 1,268 1,271 1,275 2892,276 25.635,277 25.635,278 25.635,279 25.635,280 25.635,281 23.35,282 35.397,283 14.847,284 26.309,285 21.281,286 21.281,287 21.281,288 21.281,289 21.281,290 17.562,291 47.269,292 7.148,293 22.376,294 4.545,295 2.235,296 1.122,297 0.718,298 0.718,299 0.718,300 4.381,305 1,306 1251,307 4.183,310 251.435,311 304.67,312 115.61,314 310.806,318 2.485,319 38.433,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 83,331 561,332 4.737,333 3.731,334 7,335 4.286,336 3.32,337 4.707,338 1.656,339 11.961,340 3.215,341 4.514,342 3.544,343 6.695,344 4.152,345 3.173,346 4.126,347 0.86,348 10.803,349 3.105,350 3.988,351 3.417,352 6.134,353 3.817,354 2.886,355 3.34,356 0.86,357 9.065,358 2.679,359 3.918,360 3.168,361 5.674,362 3.552,363 2.585,364 3.272,365 0.8,366 7.648,367 2.491,368 3.663,369 2.774,370 5.626,371 3.371,372 2.44,373 2.954,374 0.8,375 7.612,376 2.276,377 3.644,378 2.711,379 5.414,380 3.255,381 2.293,382 2.765,383 0.247,384 6.954,385 2.199,386 3.415,387 2.579,388 5.276,389 3.121,390 2.192,391 2.685,393 6.102,394 2.031,395 3.257,396 2.493,397 4.879,398 2.981,399 2.004,400 2.463,402 5.638,403 1.942,404 3.186,405 2.213,406 4.863,407 2.839,408 1.879,409 2.202,411 5.458,412 1.794,413 3.033,414 2.093,415 4.803,416 2.823,417 1.851,418 2.176,420 5.113,421 1.783,422 2.931,423 1.927,424 4.7,425 2.621,426 1.692,427 2.012,428 5.015,429 1.568,430 2.879,431 1.804,432 4.619,433 2.563,434 1.612,435 1.879,436 4.734,437 1.521,438 2.669,439 1.499,440 4.131,441 2.181,442 1.208,443 1.741,445 3.221,446 1.173,447 2.421,448 1.335,449 3.727,450 1.996,451 1.047,452 1.329,454 2.711,455 0.99,456 2.284,457 1.244,458 3.518,459 1.977,460 1.02,461 1.145,463 2.154,464 0.969,465 17.733,466 0.467,467 1.079,468 0.028,469 46.75,470 1.23,471 20,472 0.526,473 26.75,474 0.704,475 36.389,476 0.958,477 41.667,478 0.595,479 40.601,480 1.068,481 9.16,482 0.241,483 9.191,484 0.242,485 0.122,487 0.406,493 0.818,494 1.543,495 0.771,496 1.209,497 0.581,498 1.01,499 1.024,500 0.951,501 0.855,502 0.851,503 0.566,504 0.808,505 1.118,506 1.107,507 1.06,508 1.058,509 0.872,510 1.053,511 0.843,512 0.944,513 0.874,514 0.933,515 0.867,516 0.908,517 0.914,518 0.952,519 0.907,520 0.951,521 1.126,522 0.929,523 1.038,524 1.096,525 0.943,526 1.062,527 1.152,528 0.996,529 1.108,530 1.058,531 1.013,532 1.023,533 1.216,534 1.011,535 1.198,536 0.979,537 1.034,538 0.986,539 1.104,540 0.986,541 8.5,542 0.302,543 3.778,544 3.715,545 1.533,546 1.529,547 0.874,548 0.853,549 0.458,550 0.33,551 24444,552 58838,553 2.143,554 45.7,556 24,557 1,558 1,559 2,561 4,564 1.787,565 2,566 3.782,567 0.175,573 110.934,574 1.585,575 3.894,576 5.007,577 5.411,578 5.411,579 5.411,580 3.262,581 4.88,582 5.212,583 4.015,584 2822.5,585 9.182,586 46947.8,591 429.05,592 1.425,593 5.178,594 0.198,595 0.008,596 0.06,597 0.06,598 0.026,599 0.025,600 0.014,601 0.014,602 0.009,603 0.008,604 0.423,605 0.33,606 0.75,607 1.352,608 211.692,609 -0.044,610 -0.297,611 0.077,612 -0.117,613 -0.031,614 -0.017,615 -0.027,616 0.203,617 0.084,618 0.142,619 0.078,620 0.142,621 -0.064,622 -0.055,623 -0.102,624 -0.045,625 -0.002,626 -0.076,627 -0.017,628 0.039,629 0.098,630 0.063,631 0.025,632 0.098,633 0.052,634 0.077,635 0.059,636 0.051,637 -0.014,638 0.057,639 -0.003,640 -0.06,641 0.022,642 -0.054,643 -0.026,644 -0.015,645 0.158,646 -0.035,647 -0.017,648 -0.039,649 0.175,650 -0.058,651 -0.148,652 -0.016,653 -0.044,654 0.014,655 -0.079,656 0.006,657 1.985,658 6.333,659 0.684,660 49.537,661 1.006,662 1.132,663 1.188,664 1.41,665 0.654,666 3.784,667 4.159,668 4.466,669 4.812,670 5.056,671 5.226,672 5.442,673 5.635,674 5.781,675 5.94,676 8.528,677 0.626,678 516.66,679 3.784,680 5.361,681 6.236,682 7.146,683 8.042,684 8.958,685 9.866,686 10.786,687 11.7,688 12.623,689 8.6,692 1,695 1,696 2,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,729 1,731 70,733 19,734 1,735 43,737 75,738 28,739 13,740 3,741 3,742 3,746 6,747 9,751 1,755 4,758 4,761 17,762 11,766 3,771 2,773 1,775 3,781 32,782 9,783 2,784 10,790 6,794 0.5,795 4,801 1,805 1,807 1,811 3,812 3,813 1,815 2,831 2,836 1,839 1,840 3,844 3,848 38,854 6,855 2,856 2,858 2,859 2,870 5.7,873 2,874 1,875 1,877 19,878 13.467,879 8.056,880 4.204,881 4.122,882 1.444,883 1.009,884 6.803,885 13.403,886 4.007,887 4.613,888 5.214,889 5.848,890 6.401,891 6.801,892 7.294,893 7.746,894 8.089,895 8.525,896 0.9,897 62,898 14.148,900 6.204,901 7.693,902 27.237,904 23.152,905 2.193,906 83.333,910 353.133,911 140.226,912 60.955,914 72.29,917 140.226,918 425.423,919 60.955,920 25.189,921 49.513,922 56.429,923 101.939,924 47.896,925 16.047,926 329.591,928 353.133,929 201.181,930 72.29,933 306.049,934 108.374,935 11,937 65.3,938 104.376,939 31.505,941 353.133,942 133.244,943 140.226,946 353.133,947 49.561,948 98.813,949 36.022,950 89.075,951 353.133,952 133.244,953 140.226,955 0.593,956 0.34,957 0.19,958 0.103,959 33,960 15,961 0.08,962 6,963 4,964 1.269,965 4.812,966 392.18,967 0.308,968 25,969 191.421,974 25.226,975 10.247,976 5.036,977 1.843,978 131.345,979 10.959,980 4.615,984 3.397,985 1.976,986 36.022,987 626.604,988 54,993 25.56,995 1.798,997 -0.29,999 70.407,1000 79.225,1001 0.259,1002 0.635,1003 0.817,1004 0.883,1005 0.883,1006 0.883,1007 5.293,1008 2.004,1009 6.244,1010 6.102,1011 4.844,1012 5.301,1013 2.368,1014 7.098,1015 4.752,1016 6.503,1017 1.879,1018 7.825,1019 5.638,1020 4.511,1021 5.207,1022 1.404,1023 8.044,1024 4.382,1025 7.823,1026 1.851,1027 9.503,1028 5.458,1029 6.479,1030 7.5,1031 2.66,1032 11.19,1033 6.305,1034 9.177,1035 1.692,1036 11.237,1037 5.113,1038 6.948,1039 8.262,1040 2.382,1041 13.001,1042 6.747,1043 10.566,1044 1.612,1045 13.01,1046 5.015,1047 8.408,1048 10.075,1049 3.324,1050 15.676,1051 8.17,1052 11.982,1053 1.208,1054 14.812,1055 4.734,1056 9.257,1057 11.25,1058 3.421,1059 17.865,1060 8.995,1061 13.42,1062 1.047,1063 16.636,1064 3.221,1065 10.524,1066 12.881,1067 4.179,1068 20.386,1069 10.231,1070 3.32,1071 1.02,1072 18.477,1073 2.711,1074 11.551,1075 14.251,1076 4.467,1077 22.734,1078 11.235,1079 3.173,1080 11.961,1081 20.334,1082 2.154,1083 12.749,1084 15.815,1085 5.118,1086 25.206,1087 12.404,1088 2.886,1089 10.803,1090 22.203,1091 4.707,1092 13.856,1093 17.274,1094 5.504,1095 27.619,1096 13.488,1097 2.585,1098 9.065,1099 24.083,1100 4.126,1101 15.032,1102 18.815,1103 6.093,1104 30.08,1105 14.638,1106 2.44,1107 7.648,1108 25.971,1109 3.34,1110 16.176,1111 20.316,1112 6.531,1113 32.521,1114 15.757,1115 2.293,1116 7.612,1117 27.866,1118 3.272,1119 17.348,1120 21.851,1121 7.084,1122 34.981,1123 16.903,1124 2.192,1125 6.954,1126 29.768,1127 2.954,1128 18.51,1129 23.372,1130 7.551,1131 37.435,1132 18.039,1133 22670,1134 35356,1135 28.956,1136 45.75,1137 66.622,1138 68.377,1139 67.707,1140 65.759,1141 65.704,1142 81.54,1143 10.446,1144 196.578,1145 62.628,1146 5.737,1147 5.731,1148 6.557,1149 5.393,1150 5.32,1151 7.707,1152 2.912,1153 19.399,1154 5.215,1155 19.322,1156 1.549,1157 1.59,1158 1.575,1159 1.529,1160 1.528,1161 1.896,1162 0.243,1163 4.572,1164 1.456,1165 4.16,1166 4.196,1167 4.132,1168 4.048,1169 7.432,1170 4.064,1171 3.982,1172 3.998,1173 3.951,1174 3.885,1175 7.427,1176 3.897,1177 3.899,1178 3.943,1179 3.799,1180 3.734,1181 5.03,1182 3.742,1183 3.72,1184 3.799,1185 3.612,1186 3.485,1187 4.849,1188 3.501,1189 3.55,1190 3.594,1191 3.473,1192 3.402,1193 4.666,1194 3.411,1195 3.458,1196 3.525,1197 3.361,1198 3.256,1199 4.442,1200 3.275,1201 3.374,1202 3.433,1203 3.274,1204 3.127,1205 4.354,1206 3.156,1207 3.165,1208 3.253,1209 3.034,1210 2.955,1211 4.294,1212 2.961,1213 0.11,1214 0.087,1215 0.163,1216 0.1,1217 0.077,1218 4.737,1219 0.109,1220 3.731,1221 0.039,1222 7,1223 0.278,1224 4.286,1225 0.075,1226 3.32,1227 4.707,1228 1.656,1229 11.961,1230 3.215,1231 1.917,1232 1.889,1233 1.99,1234 2.053,1235 1.255,1236 2.036,1237 1.879,1238 1.859,1239 1.963,1240 1.99,1241 1.248,1242 1.981,1243 1.655,1244 1.614,1245 1.898,1246 1.901,1247 1.127,1248 1.906,1249 1.647,1250 1.566,1251 1.86,1252 1.867,1253 1.083,1254 1.851,1255 1.604,1256 1.554,1257 1.804,1258 1.792,1259 1.024,1260 1.798,1261 1.604,1262 1.543,1263 1.776,1264 1.76,1265 0.886,1266 1.786,1267 1.365,1268 1.322,1269 1.627,1270 1.66,1271 0.729,1272 1.644,1273 1.341,1274 1.266,1275 1.552,1276 1.568,1277 0.615,1278 1.557,1279 4.466,1281 5.826,1282 3.434,1283 7.362,1284 5.9,1285 8.986,1286 8.05,1287 10.662,1289 5.842,1295 5.134,1296 5.595,1297 12.022,1299 0.518,1300 4.366,1305 43.836,1306 110.934,1307 272.602,1308 350.52,1309 378.785,1310 378.785,1311 378.785,1312 68.227,1313 9.281,1314 104.87,1315 104.87,1316 33,1317 13.132,1318 4.322,1319 3.585,1320 53.232,1321 193,1322 236,1323 0.134,1324 262.472,1325 460.86,1326 632.193,1327 172813,1329 26.388,1330 0.694,1331 0.575,1332 26.388,1333 21.861,1334 18.351,1335 0.427,1336 0.302,1337 12.737,1338 17.46,1339 12.406,1340 10.232,1341 18.351,1342 12.978,1343 17.445,1344 0.277,1345 0.165,1346 17.445,1347 10.421,1348 14.542,1349 0.169,1350 0.085,1351 14.542,1352 7.306,1353 12.9,1354 0.106,1355 0.045,1356 12.9,1357 5.48,1358 10.479,1359 0.067,1360 0.024,1361 10.479,1362 3.753,1363 0.213,1364 116.228,1365 0.186,1366 34.584,1367 0.358,1368 212,1369 610.188,1370 236.361,1371 578.757,1372 799.18,1373 544,1374 255,1375 598.451,1376 281.195,1377 602.115,1378 891.32,1379 565,1380 7.62}
{0 CHEMBL1092119,1 1.584,2 13.194,3 2.013,4 4.053,5 136.019,6 7.634,7 0.39,8 4.287,9 4.391,10 3.882,11 3.796,12 5.373,13 3.799,14 4.868,15 5.033,16 4.28,17 4.229,18 5.903,19 4.218,20 5.134,21 5.323,22 4.38,23 4.394,24 6.204,25 4.354,26 5.208,27 5.408,28 4.347,29 4.413,30 6.353,31 4.353,32 5.194,33 5.399,34 4.245,35 4.402,36 6.237,37 4.316,38 5.22,39 5.459,40 4.214,41 4.399,42 6.108,43 4.292,44 5.212,45 5.465,46 4.192,47 4.308,48 6.151,49 4.221,50 5.079,51 5.307,52 4.141,53 4.197,54 6.113,55 4.139,56 0.082,57 0.948,58 12.767,59 5.872,60 11.228,61 7.317,62 0.422,63 1.601,64 26.273,65 9.688,66 29.196,67 12.572,68 0.647,69 1.952,70 36.394,71 13.159,72 57.246,73 17.413,74 0.833,75 2.038,76 40.341,77 14.398,78 107.168,79 19.007,80 0.831,81 1.996,82 40.058,83 14.631,84 93.391,85 19.451,86 0.624,87 2.081,88 41.747,89 15.111,90 57.871,91 21.438,92 0.731,93 1.979,94 43.566,95 14.252,96 68.708,97 20.327,98 0.762,99 1.713,100 37.765,101 12.185,102 70.577,103 16.525,104 17,105 60,106 0.251,107 0.618,108 0.794,109 0.834,110 0.838,111 0.838,112 3.616,113 0.902,114 -3.06,115 -3.05,116 -2.94,119 42.2,121 2,122 1,124 1,125 6,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,158 1,161 1,172 6,174 2,175 14,180 2,183 6,186 2,187 11,192 1,195 3,198 2,199 8,202 2,204 1,207 7,211 4,212 3,217 1,220 8,223 3,224 8,229 1,232 6,236 2,237 10,242 1,245 4,249 1,250 8,253 1,258 1,262 4,263 9,266 2,268 1,271 4,275 2544,276 24.637,277 24.637,278 24.637,279 24.637,280 24.637,281 22.321,282 32.256,283 14.224,284 25.266,285 20.216,286 20.216,287 20.216,288 20.216,289 20.216,290 16.5,291 42.488,292 6.711,293 21.201,294 4.416,295 2.095,296 0.981,297 0.731,298 0.699,299 0.699,300 4.332,305 1,306 1065,307 3.24,310 148.216,311 417.918,314 286.574,318 2.15,319 44.26,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 79,331 475,332 4.738,333 3.82,334 7,335 4.29,336 3.32,337 4.707,338 1.94,339 11.953,340 3.224,341 4.567,342 3.756,343 6.862,344 4.197,345 3.221,346 4.204,347 0.86,348 11.345,349 3.139,350 4.117,351 3.374,352 6.393,353 3.952,354 2.972,355 3.299,356 0.86,357 9.674,358 2.912,359 3.885,360 2.897,361 6.062,362 3.586,363 2.655,364 3.259,365 0.8,366 8.673,367 2.475,368 3.826,369 2.817,370 5.735,371 3.361,372 2.397,373 3.224,374 0.555,375 7.613,376 2.302,377 3.387,378 2.599,379 5.384,380 3.167,381 2.218,382 2.701,384 6.486,385 2.095,386 3.284,387 2.571,388 5.232,389 2.962,390 2,391 2.523,393 6.197,394 1.927,395 3.279,396 2.2,397 5.074,398 2.874,399 1.916,400 2.342,402 5.752,403 1.805,404 3.016,405 2.126,406 4.834,407 2.721,408 1.78,409 2.095,411 5.064,412 1.668,413 2.921,414 1.934,415 4.404,416 2.414,417 1.483,418 2.032,420 3.902,421 1.396,422 2.687,423 1.812,424 4.197,425 2.382,426 1.433,427 1.757,428 3.478,429 1.33,430 2.624,431 1.749,432 3.86,433 2.181,434 1.208,435 1.614,436 3.127,437 1.172,438 2.518,439 1.342,440 3.716,441 2.058,442 1.097,443 1.428,445 2.703,446 1.044,447 2.307,448 1.256,449 3.56,450 1.984,451 1,452 1.253,454 2.373,455 0.983,456 2.049,457 1.25,458 3.414,459 1.952,460 1,461 1,463 2.275,464 0.946,465 16.767,466 0.466,467 0.922,468 0.026,469 45,470 1.25,471 20,472 0.556,473 25,474 0.694,475 34.29,476 0.952,477 39.033,478 0.61,479 37.839,480 1.051,481 8.737,482 0.243,483 8.771,484 0.244,485 0.089,487 0.4,493 0.799,494 1.445,495 0.737,496 1.157,497 0.626,498 0.971,499 0.987,500 1.025,501 0.863,502 0.895,503 0.598,504 0.843,505 0.969,506 1.077,507 0.93,508 0.997,509 0.839,510 0.956,511 0.988,512 1,513 1.022,514 1.027,515 1.207,516 1.027,517 0.954,518 1.001,519 1.096,520 1.044,521 1.182,522 1.095,523 0.611,524 1.073,525 0.943,526 1.079,527 0.559,528 1.075,529 0.834,530 0.944,531 0.858,532 0.891,533 0.549,534 0.875,535 1.161,536 0.91,537 0.939,538 0.833,539 1.104,540 0.84,541 6,542 0.197,543 4.667,544 4.021,545 1.805,546 1.303,547 0.834,548 0.742,549 0.575,550 0.379,551 20733,552 54691,553 2.168,554 43.8,556 20,557 1,558 1,559 1,560 1,561 4,564 1.775,565 2.038,566 3.657,567 -0.355,573 101.402,574 1.584,575 3.905,576 5.019,577 5.269,578 5.301,579 5.301,580 3.126,581 4.781,582 5.139,583 3.857,584 2430.05,585 9.041,586 38026.8,591 384,592 1.382,593 5.107,594 0.146,595 0.005,596 0.078,597 0.063,598 0.03,599 0.024,600 0.016,601 0.015,602 0.012,603 0.008,604 0.397,605 0.5,606 0.75,607 0.496,608 195.574,609 -0.051,610 -0.259,611 0.068,612 -0.089,613 -0.032,614 -0.007,615 -0.087,616 0.116,617 0.037,618 0.094,619 0.005,620 0.098,621 -0.026,622 -0.029,623 0.012,624 -0.003,625 0.022,626 0.014,627 0.001,628 0.014,629 -0.057,630 -0.037,631 0.022,632 -0.053,633 -0.026,634 -0.004,635 -0.137,636 -0.042,637 -0.088,638 -0.104,639 0.067,640 -0.079,641 0.011,642 -0.083,643 0.026,644 -0.054,645 0.015,646 0.016,647 0.15,648 0.075,649 0.088,650 0.131,651 -0.084,652 0.053,653 0.08,654 0.13,655 -0.063,656 0.136,657 2.006,658 5.975,659 0.833,660 41.426,661 1.01,662 1.125,663 1.825,664 3.331,665 0.663,666 3.738,667 4.111,668 4.466,669 4.787,670 5.017,671 5.124,672 5.338,673 5.525,674 5.666,675 5.817,676 7.746,677 0.64,678 488.59,679 3.738,680 5.313,681 6.205,682 7.114,683 8.019,684 8.934,685 9.845,686 10.763,687 11.678,688 12.598,689 6.3,695 1,696 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 64,733 19,734 1,735 41,737 69,738 27,739 13,740 3,741 3,742 3,746 6,747 8,755 2,756 1,758 2,761 17,762 10,763 1,766 3,771 2,773 1,775 3,781 28,782 8,783 1,784 9,790 4,794 0.667,795 5,805 1,807 1,811 2,812 4,815 2,827 1,831 2,839 1,840 4,844 1,848 36,853 1,854 8,856 2,858 1,859 2,870 7.8,872 1,873 2,874 1,875 1,877 17.667,878 11.833,879 7.722,880 4.004,881 4.093,882 1.453,883 0.996,884 6.137,885 13.137,886 3.97,887 4.582,888 5.222,889 5.834,890 6.355,891 6.725,892 7.195,893 7.656,894 8.002,895 8.436,896 0.889,897 64,898 13.45,900 6.011,901 7.778,902 25.733,904 22.149,905 2.278,906 82,910 317.82,911 130.29,912 24.933,914 114.973,917 130.29,918 432.793,919 24.933,920 8.396,921 25.801,922 56.429,923 149.327,924 42.015,925 11.771,926 294.278,928 317.82,929 155.224,930 114.973,933 270.735,934 151.057,935 11,937 38.463,938 85.256,939 31.505,941 317.82,942 139.906,943 130.29,946 317.82,947 56.418,948 82.02,950 131.759,951 317.82,952 139.906,953 130.29,955 0.592,956 0.365,957 0.206,958 0.109,959 32,960 14,961 0.043,962 3,963 2,964 1.133,965 4.606,966 371.202,967 0.133,968 30,969 178.117,974 23.377,975 9.45,976 4.177,977 1.735,978 138.007,979 10.528,980 4.577,984 2.301,985 1.934,986 42.683,987 588.016,988 52,993 25.927,995 1.726,997 0.069,999 64.647,1000 72.023,1001 0.264,1002 0.651,1003 0.837,1004 0.878,1005 0.883,1006 0.883,1007 5.252,1008 1.916,1009 6.209,1010 6.197,1011 4.796,1012 5.27,1013 2.452,1014 7.086,1015 4.713,1016 6.463,1017 1.78,1018 7.808,1019 5.752,1020 4.443,1021 5.173,1022 1.738,1023 8.106,1024 4.337,1025 7.79,1026 1.483,1027 9.511,1028 5.064,1029 6.45,1030 7.495,1031 3.095,1032 11.267,1033 6.303,1034 9.156,1035 1.433,1036 11.273,1037 3.902,1038 6.948,1039 8.281,1040 3.144,1041 13.141,1042 6.787,1043 10.559,1044 1.208,1045 13.075,1046 3.478,1047 8.424,1048 10.096,1049 4.162,1050 15.821,1051 8.225,1052 11.99,1053 1.097,1054 14.904,1055 3.127,1056 9.302,1057 11.288,1058 4.541,1059 18.039,1060 9.09,1061 13.442,1062 1,1063 16.753,1064 2.703,1065 10.58,1066 12.917,1067 5.388,1068 20.563,1069 10.335,1070 3.32,1071 1,1072 18.617,1073 2.373,1074 11.626,1075 14.295,1076 5.912,1077 22.922,1078 11.363,1079 3.221,1080 11.953,1081 20.492,1082 2.275,1083 12.831,1084 15.857,1085 6.671,1086 25.396,1087 12.54,1088 2.972,1089 11.345,1090 22.377,1091 4.707,1092 13.95,1093 17.319,1094 7.263,1095 27.812,1096 13.637,1097 2.655,1098 9.674,1099 24.27,1100 4.204,1101 15.132,1102 18.858,1103 7.976,1104 30.273,1105 14.792,1106 2.397,1107 8.673,1108 26.168,1109 3.299,1110 16.283,1111 20.358,1112 8.602,1113 32.713,1114 15.918,1115 2.218,1116 7.613,1117 28.072,1118 3.259,1119 17.459,1120 21.892,1121 9.292,1122 35.172,1123 17.067,1124 2,1125 6.486,1126 29.981,1127 3.224,1128 18.626,1129 23.411,1130 9.936,1131 37.625,1132 18.207,1133 18938,1134 30953,1135 27.857,1136 42.432,1137 63.553,1138 65.705,1139 65.269,1140 62.868,1141 62.808,1142 78.588,1143 10.032,1144 189.045,1145 60.081,1146 5.738,1147 5.82,1148 6.801,1149 5.393,1150 5.32,1151 7.707,1152 3.348,1153 19.357,1154 5.224,1155 16.087,1156 1.55,1157 1.603,1158 1.592,1159 1.533,1160 1.532,1161 1.917,1162 0.245,1163 4.611,1164 1.465,1165 4.158,1166 4.193,1167 4.129,1168 4.046,1169 7.429,1170 4.063,1171 3.969,1172 3.975,1173 3.942,1174 3.873,1175 7.425,1176 3.887,1177 3.894,1178 3.944,1179 3.803,1180 3.732,1181 6.468,1182 3.739,1183 3.718,1184 3.78,1185 3.595,1186 3.509,1187 5.025,1188 3.521,1189 3.498,1190 3.532,1191 3.432,1192 3.385,1193 4.799,1194 3.391,1195 3.412,1196 3.461,1197 3.318,1198 3.234,1199 4.615,1200 3.247,1201 3.206,1202 3.249,1203 3.117,1204 2.953,1205 4.396,1206 2.984,1207 3.111,1208 3.206,1209 2.945,1210 2.941,1211 4.29,1212 2.91,1213 0.116,1214 0.093,1215 0.171,1216 0.105,1217 0.081,1218 4.738,1219 0.115,1220 3.82,1221 0.047,1222 7,1223 0.292,1224 4.29,1225 0.079,1226 3.32,1227 4.707,1228 1.94,1229 11.953,1230 3.224,1231 1.94,1232 1.906,1233 2.069,1234 2.088,1235 1.423,1236 2.083,1237 1.86,1238 1.848,1239 1.946,1240 1.986,1241 1.187,1242 1.97,1243 1.799,1244 1.758,1245 1.93,1246 1.951,1247 1.089,1248 1.947,1249 1.654,1250 1.612,1251 1.872,1252 1.886,1253 1.047,1254 1.884,1255 1.652,1256 1.592,1257 1.793,1258 1.818,1259 0.885,1260 1.815,1261 1.374,1262 1.332,1263 1.56,1264 1.581,1265 0.825,1266 1.568,1267 1.153,1268 1.064,1269 1.513,1270 1.391,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.651,1278 1.429,1279 4.419,1281 5.778,1282 3.045,1283 7.336,1284 5.533,1285 8.983,1286 7.727,1287 10.675,1289 1.923,1294 10.137,1295 5.687,1297 11.19,1299 0.032,1300 4.234,1305 40.981,1306 101.402,1307 249.91,1308 321.245,1309 337.245,1310 339.245,1311 339.245,1312 71.074,1313 9.045,1314 101.04,1315 101.04,1316 34,1317 13.108,1318 4.322,1319 3.585,1320 49.023,1321 163,1322 186,1323 0.142,1324 243.288,1325 430.35,1326 585.382,1327 130875,1329 24.811,1330 0.689,1331 0.56,1332 24.811,1333 20.145,1334 17.508,1335 0.427,1336 0.301,1337 12.113,1338 16.683,1339 11.899,1340 9.707,1341 17.508,1342 12.328,1343 16.077,1344 0.268,1345 0.159,1346 16.077,1347 9.513,1348 14.57,1349 0.169,1350 0.085,1351 14.57,1352 7.334,1353 12.803,1354 0.108,1355 0.046,1356 12.803,1357 5.459,1358 10.302,1359 0.069,1360 0.026,1361 10.302,1362 3.849,1363 0.224,1364 110.86,1365 0.189,1366 32.833,1367 0.389,1368 202,1369 603.672,1370 224.195,1371 568.29,1372 780.66,1373 534,1374 247,1375 578.128,1376 271.832,1377 578.272,1378 862.31,1379 546,1380 7.201}
{0 CHEMBL1092120,1 1.538,2 13.395,3 3.416,4 11.668,5 141.985,6 8.057,7 0.5,8 4.283,9 4.372,10 3.928,11 3.861,12 5.413,13 3.862,14 4.841,15 4.976,16 4.352,17 4.298,18 5.941,19 4.292,20 5.111,21 5.274,22 4.422,23 4.438,24 6.242,25 4.402,26 5.147,27 5.339,28 4.348,29 4.409,30 6.343,31 4.357,32 5.046,33 5.22,34 4.272,35 4.356,36 6.207,37 4.299,38 5.038,39 5.232,40 4.234,41 4.341,42 6.111,43 4.271,44 5.001,45 5.196,46 4.217,47 4.286,48 6.092,49 4.228,50 4.962,51 5.153,52 4.154,53 4.211,54 6.093,55 4.159,56 0.078,57 0.872,58 10.994,59 5.787,60 13.363,61 6.636,62 0.324,63 1.52,64 22.262,65 9.835,66 26.096,67 11.545,68 0.607,69 1.88,70 32.715,71 13.602,72 59.735,73 16.277,74 0.739,75 1.95,76 36.164,77 14.002,78 104.804,79 17.308,80 0.601,81 1.746,82 31.375,83 13.038,84 75.444,85 15.841,86 0.488,87 1.765,88 31.701,89 13.139,90 62.839,91 16.72,92 0.434,93 1.687,94 30.843,95 12.606,96 50.204,97 15.953,98 0.507,99 1.597,100 30.252,101 11.928,102 61.291,103 14.684,104 17,105 66,106 0.241,107 0.61,108 0.781,109 0.831,110 0.846,111 0.846,112 3.668,113 0.867,114 -4.17,115 -4.11,116 -3.89,119 47.6,121 2,124 1,125 2,127 2,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 14,174 2,175 12,180 2,183 16,186 2,187 13,192 1,195 14,199 13,202 2,204 1,207 11,211 2,212 12,217 1,220 12,223 2,224 12,229 1,232 11,236 1,237 14,242 1,245 10,250 10,253 1,255 1,258 8,262 4,263 8,266 1,268 2,271 10,275 2872,276 25.98,277 25.98,278 25.98,279 25.98,280 25.98,281 23.017,282 22.979,283 14.744,284 26.45,285 21.716,286 21.716,287 21.716,288 21.716,289 21.716,290 17.058,291 27.57,292 6.999,293 22.508,294 4.439,295 2.092,296 0.996,297 0.679,298 0.583,299 0.583,300 4.393,305 1,306 1165,307 3.391,310 254.986,311 426.125,312 133.201,314 303.863,318 2.237,319 45.043,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 82.5,331 509,332 4.749,333 3.756,334 7,335 4.299,336 3.321,337 4.726,338 1.2,339 11.953,340 3.252,341 4.569,342 3.709,343 6.862,344 4.2,345 3.221,346 4.204,347 0.86,348 11.345,349 3.155,350 4.281,351 3.31,352 6.423,353 4.007,354 3.042,355 3.835,356 0.86,357 9.843,358 2.945,359 4.013,360 3.136,361 6.064,362 3.707,363 2.742,364 3.416,365 0.293,366 8.693,367 2.635,368 3.833,369 2.818,370 5.735,371 3.553,372 2.581,373 3.258,375 7.982,376 2.494,377 3.767,378 2.702,379 5.715,380 3.36,381 2.397,382 2.886,384 7.613,385 2.303,386 3.406,387 2.57,388 5.374,389 2.998,390 2.044,391 2.711,393 6.338,394 1.945,395 3.332,396 2.21,397 5.087,398 2.936,399 1.974,400 2.601,402 5.903,403 1.904,404 3.279,405 2.142,406 5.073,407 2.874,408 1.913,409 2.523,411 5.751,412 1.805,413 3.019,414 2.093,415 4.879,416 2.839,417 1.879,418 2.145,420 5.638,421 1.794,422 2.923,423 2.009,424 4.824,425 2.654,426 1.697,427 2.05,428 5.02,429 1.619,430 2.879,431 1.778,432 4.404,433 2.412,434 1.436,435 1.879,436 3.902,437 1.395,438 2.68,439 1.689,440 4.184,441 2.189,442 1.214,443 1.76,445 3.329,446 1.18,447 2.574,448 1.342,449 3.716,450 2.095,451 1.117,452 1.538,454 2.73,455 1.085,456 2.5,457 1.225,458 3.664,459 2,460 1,461 1.5,463 2.38,464 1,465 17.867,466 0.47,467 1.058,468 0.028,469 51.25,470 1.349,471 25.5,472 0.671,473 25.75,474 0.678,475 33.102,476 0.871,477 39.133,478 0.621,479 44.154,480 1.162,481 9.951,482 0.262,483 8.506,484 0.224,485 0.084,487 0.437,493 0.771,494 1.212,495 0.69,496 1.003,497 0.641,498 0.862,499 0.91,500 0.968,501 0.803,502 0.903,503 0.59,504 0.833,505 1.035,506 1.076,507 0.965,508 1.013,509 0.807,510 0.985,511 0.99,512 0.94,513 0.995,514 0.942,515 1.13,516 0.955,517 0.985,518 1.014,519 1.032,520 1.021,521 1.199,522 1.037,523 0.788,524 1.032,525 0.95,526 1.023,527 0.943,528 1.022,529 0.858,530 1.036,531 0.899,532 1.01,533 0.637,534 0.972,535 1.08,536 1.045,537 0.975,538 0.99,539 1.152,540 0.971,541 7.5,542 0.197,543 4.667,544 4.243,545 1.84,546 1.525,547 0.945,548 0.73,549 0.585,550 0.394,551 25407,552 65672,553 2.205,554 39.7,556 18,557 1,558 1,559 1,561 4,564 1.787,565 2.073,566 3.691,567 -0.4,573 96.901,574 1.538,575 3.886,576 4.981,577 5.299,578 5.394,579 5.394,580 3.114,581 4.827,582 5.219,583 3.924,584 2758.34,585 9.193,586 45164.4,591 376.569,592 1.378,593 5.186,594 0.17,595 0.005,596 0.071,597 0.062,598 0.03,599 0.026,600 0.017,601 0.013,602 0.011,603 0.008,604 0.414,605 0.5,606 0.75,607 0.48,608 210.338,609 -0.049,610 -0.14,611 0.059,612 -0.029,613 -0.057,614 0.022,615 -0.042,616 0.114,617 0.042,618 0.051,619 0.011,620 0.066,621 -0.031,622 -0.079,623 -0.03,624 -0.032,625 0.028,626 -0.034,627 -0.004,628 0.063,629 -0.015,630 0.033,631 0.047,632 0.019,633 -0.029,634 -0.032,635 -0.086,636 -0.031,637 -0.092,638 -0.064,639 0.01,640 -0.043,642 -0.03,643 -0.068,644 -0.022,645 -0.009,646 -0.054,647 0.065,648 -0.017,649 0.062,650 0.028,651 -0.075,652 -0.071,653 0.014,654 -0.002,655 -0.062,656 0.015,657 2.028,658 6.163,659 0.842,660 44.978,661 1.011,662 1.113,663 2.937,664 8.626,665 0.693,666 3.807,667 4.205,668 4.564,669 4.905,670 5.136,671 5.273,672 5.464,673 5.631,674 5.771,675 5.93,676 8.131,677 0.674,678 507.58,679 3.807,680 5.398,681 6.297,682 7.216,683 8.126,684 9.047,685 9.961,686 10.883,687 11.799,688 12.722,689 4.8,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 63,733 25,734 2,735 44,737 69,738 30,739 19,740 5,741 7,742 4,746 7,747 10,755 4,758 4,761 23,762 7,766 3,771 2,773 1,775 3,781 25,782 7,783 1,784 8,790 3,794 0.571,795 5,801 1,805 1,807 1,811 3,812 4,813 1,815 2,831 2,839 1,840 4,844 1,848 38,853 1,854 4,856 2,858 2,859 1,870 7.9,872 1,873 2,874 1,875 1,877 18.333,878 11.8,879 7.972,880 3.879,881 5.241,882 1.55,883 1.032,884 5.48,885 14.771,886 4.078,887 4.73,888 5.392,889 6.027,890 6.586,891 6.988,892 7.507,893 8,894 8.422,895 8.896,896 0.889,897 68,898 14.174,900 6.457,901 7.781,902 27.003,904 23.634,905 2.281,906 86.667,910 282.506,911 161.599,912 21.809,914 114.973,917 161.599,918 397.479,919 21.809,920 8.396,921 12.405,922 94.334,923 149.327,924 45.691,925 11.771,926 258.964,928 282.506,929 183.408,930 114.973,933 235.422,934 151.057,935 11,937 25.067,938 126.836,939 31.505,941 282.506,942 136.782,943 161.599,946 282.506,947 49.822,948 116.801,950 131.759,951 282.506,952 136.782,953 161.599,955 0.601,956 0.369,957 0.209,958 0.11,959 37,960 16,961 0.043,962 3,963 4,964 1.219,965 4.808,966 408.017,967 0.25,968 31,969 189.421,974 23.358,975 8.916,976 3.899,977 1.618,978 134.883,979 17.992,980 4.557,984 3.691,985 1.903,986 42.683,987 580.887,988 58,993 26.14,995 1.694,997 -0.189,999 63.662,1000 70.109,1001 0.257,1002 0.65,1003 0.833,1004 0.886,1005 0.902,1006 0.902,1007 5.364,1008 1.974,1009 6.312,1010 6.338,1011 4.89,1012 5.418,1013 1.923,1014 7.195,1015 4.824,1016 6.593,1017 1.913,1018 7.915,1019 5.903,1020 4.575,1021 5.316,1022 0.325,1023 8.199,1024 4.481,1025 7.927,1026 1.879,1027 9.615,1028 5.751,1029 6.558,1030 7.667,1031 1.905,1032 11.353,1033 6.436,1034 9.296,1035 1.697,1036 11.372,1037 5.638,1038 7.066,1039 8.42,1040 0.653,1041 13.201,1042 6.923,1043 10.699,1044 1.436,1045 13.166,1046 5.02,1047 8.528,1048 10.259,1049 1.99,1050 15.877,1051 8.36,1052 12.128,1053 1.214,1054 14.986,1055 3.902,1056 9.405,1057 11.417,1058 1.001,1059 18.079,1060 9.22,1061 13.576,1062 1.117,1063 16.826,1064 3.329,1065 10.674,1066 13.058,1067 2.144,1068 20.599,1069 10.466,1070 3.321,1071 1,1072 18.681,1073 2.73,1074 11.717,1075 14.411,1076 1.37,1077 22.948,1078 11.49,1079 3.221,1080 11.953,1081 20.549,1082 2.38,1083 12.916,1084 15.976,1085 2.352,1086 25.419,1087 12.669,1088 3.042,1089 11.345,1090 22.427,1091 4.726,1092 14.031,1093 17.422,1094 1.754,1095 27.831,1096 13.764,1097 2.742,1098 9.843,1099 24.313,1100 4.204,1101 15.208,1102 18.961,1103 2.601,1104 30.289,1105 14.921,1106 2.581,1107 8.693,1108 26.207,1109 3.835,1110 16.354,1111 20.452,1112 2.143,1113 32.727,1114 16.049,1115 2.397,1116 7.982,1117 28.106,1118 3.416,1119 17.527,1120 21.984,1121 2.879,1122 35.184,1123 17.201,1124 2.044,1125 7.613,1126 30.011,1127 3.258,1128 18.689,1129 23.499,1130 2.535,1131 37.635,1132 18.344,1133 22626,1134 36593,1135 30.054,1136 43.665,1137 69.063,1138 71.135,1139 70.521,1140 68.128,1141 68.049,1142 88.178,1143 6.426,1144 208.748,1145 65.739,1146 5.749,1147 5.756,1148 6.535,1149 5.405,1150 5.321,1151 7.726,1152 2.293,1153 19.358,1154 5.252,1155 16.68,1156 1.57,1157 1.617,1158 1.603,1159 1.548,1160 1.547,1161 2.004,1162 0.146,1163 4.744,1164 1.494,1165 4.169,1166 4.199,1167 4.142,1168 4.08,1169 7.43,1170 4.091,1171 3.973,1172 4.001,1173 3.945,1174 3.885,1175 7.426,1176 3.897,1177 3.962,1178 3.977,1179 3.892,1180 3.824,1181 6.468,1182 3.834,1183 3.838,1184 3.87,1185 3.759,1186 3.724,1187 5.035,1188 3.727,1189 3.5,1190 3.532,1191 3.439,1192 3.392,1193 4.8,1194 3.398,1195 3.421,1196 3.464,1197 3.345,1198 3.248,1199 4.689,1200 3.264,1201 3.307,1202 3.37,1203 3.208,1204 3.098,1205 4.644,1206 3.117,1207 3.093,1208 3.176,1209 2.955,1210 2.951,1211 4.382,1212 2.926,1213 0.108,1214 0.085,1215 0.159,1216 0.098,1217 0.075,1218 4.749,1219 0.107,1220 3.756,1221 0.027,1222 7,1223 0.272,1224 4.299,1225 0.074,1226 3.321,1227 4.726,1228 1.2,1229 11.953,1230 3.252,1231 2.002,1232 1.984,1233 2.073,1234 2.08,1235 1.255,1236 2.077,1237 1.861,1238 1.849,1239 1.945,1240 1.958,1241 1.235,1242 1.947,1243 1.79,1244 1.764,1245 1.892,1246 1.951,1247 1.181,1248 1.938,1249 1.652,1250 1.613,1251 1.86,1252 1.859,1253 1.051,1254 1.85,1255 1.64,1256 1.591,1257 1.818,1258 1.798,1259 0.96,1260 1.798,1261 1.604,1262 1.543,1263 1.789,1264 1.76,1265 0.885,1266 1.797,1267 1.37,1268 1.331,1269 1.555,1270 1.572,1271 0.617,1272 1.56,1273 1.067,1274 1.046,1275 1.235,1276 1.297,1277 0.496,1278 1.257,1279 4.489,1281 5.866,1282 3.434,1283 7.433,1284 5.9,1285 9.084,1286 8.055,1287 10.781,1289 1.899,1294 10.152,1295 3.328,1297 11.672,1299 0.306,1300 1.904,1305 42.433,1306 96.901,1307 244.8,1308 313.814,1309 333.814,1310 339.814,1311 339.814,1312 70.963,1313 9.53,1314 97.8,1315 97.8,1316 39,1317 13.23,1318 4.7,1319 3.907,1320 48.679,1321 183,1322 171,1323 0.126,1324 249.095,1325 440.07,1326 599.551,1327 240366,1329 25.966,1330 0.683,1331 0.546,1332 25.966,1333 20.756,1334 18.458,1335 0.419,1336 0.289,1337 12.536,1338 17.761,1339 12.296,1340 10.05,1341 18.458,1342 12.715,1343 17.456,1344 0.264,1345 0.153,1346 17.456,1347 10.087,1348 15.842,1349 0.167,1350 0.08,1351 15.842,1352 7.622,1353 14.131,1354 0.105,1355 0.043,1356 14.131,1357 5.8,1358 11.355,1359 0.067,1360 0.024,1361 11.355,1362 3.972,1363 0.199,1364 115.799,1365 0.182,1366 34.384,1367 0.341,1368 220,1369 636.027,1370 241.109,1371 607.211,1372 842.84,1373 570,1374 271,1375 635.129,1376 294.497,1377 639.013,1378 954.17,1379 604,1380 7.244}
{0 CHEMBL1092189,1 1.53,2 12.147,3 3.119,4 9.728,5 129.681,6 7.493,7 0.421,8 4.247,9 4.343,10 3.816,11 3.74,12 5.359,13 3.743,14 4.804,15 4.961,16 4.196,17 4.142,18 5.862,19 4.136,20 5.027,21 5.202,22 4.277,23 4.304,24 6.109,25 4.269,26 5.126,27 5.324,28 4.241,29 4.365,30 6.263,31 4.277,32 5.162,33 5.393,34 4.135,35 4.313,36 6.105,37 4.212,38 5.116,39 5.348,40 4.166,41 4.262,42 6.125,43 4.183,44 5.06,45 5.264,46 4.18,47 4.259,48 6.079,49 4.205,50 5.04,51 5.205,52 4.224,53 4.327,54 6.127,55 4.261,56 0.105,57 0.854,58 12.919,59 5.988,60 13.638,61 7.257,62 0.383,63 1.415,64 25.538,65 9.53,66 28.997,67 12.096,68 0.681,69 1.71,70 33.164,71 12.045,72 51.04,73 15.507,74 0.762,75 1.855,76 36.854,77 14.585,78 92.337,79 19.606,80 0.641,81 1.834,82 40.44,83 15.007,84 65.172,85 20.49,86 0.667,87 1.789,88 38.68,89 13.578,90 73.976,91 18.868,92 0.819,93 1.701,94 36.155,95 12.295,96 64.792,97 16.202,98 0.521,99 1.72,100 32.471,101 13.305,102 50.555,103 17.062,104 27,105 55,106 0.245,107 0.598,108 0.785,109 0.851,110 0.861,111 0.861,112 3.561,113 0.902,114 -2.72,115 -2.73,116 -2.65,119 41.9,120 1,121 1,124 1,125 6,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 12,180 4,183 8,186 2,187 7,195 7,198 1,199 6,202 3,203 1,204 2,207 10,211 2,212 5,217 1,220 8,223 1,224 9,227 1,229 2,232 4,236 2,237 8,242 2,245 4,249 1,250 4,253 1,255 3,258 5,262 2,263 5,266 1,268 3,271 3,275 2256,276 23.093,277 23.093,278 23.093,279 23.093,280 23.093,281 20.825,282 29.428,283 13.391,284 23.809,285 18.689,286 18.689,287 18.689,288 18.689,289 18.689,290 15.026,291 35.005,292 6.295,293 19.747,294 4.425,295 2.219,296 1.05,297 0.637,298 0.573,299 0.573,300 4.266,304 1,305 1,306 906,307 3.391,310 139.55,311 290.282,314 268.594,318 1.979,319 41.547,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 75,331 413,332 4.771,333 3.761,334 7.021,335 4.323,336 3.351,337 4.739,338 0.86,339 11.993,340 3.259,341 4.587,342 3.399,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.922,352 5.825,353 3.48,354 2.528,355 3.395,356 0.86,357 7.909,358 2.425,359 3.83,360 2.885,361 5.694,362 3.449,363 2.512,364 3.281,365 0.8,366 7.505,367 2.342,368 3.552,369 2.799,370 5.568,371 3.4,372 2.459,373 2.899,375 6.975,376 2.297,377 3.508,378 2.584,379 5.339,380 3.134,381 2.167,382 2.616,384 6.911,385 2.086,386 3.345,387 2.302,388 5.165,389 2.944,390 2.011,391 2.547,393 6.032,394 1.865,395 3.267,396 2.254,397 5.14,398 2.864,399 1.91,400 2.504,402 6.002,403 1.814,404 3.196,405 2.163,406 4.957,407 2.757,408 1.793,409 2.42,411 5.5,412 1.713,413 2.732,414 2.126,415 4.26,416 2.466,417 1.56,418 1.682,420 3.437,421 1.415,422 2.603,423 1.855,424 3.894,425 2.223,426 1.243,427 1.6,428 3.31,429 1.2,430 2.426,431 1.369,432 3.683,433 2.15,434 1.212,435 1.401,436 2.86,437 1.123,438 2.079,439 1.256,440 3.513,441 1.952,442 1,443 1.034,445 2.171,446 0.946,447 2,448 1.105,449 3.247,450 1.841,451 0.882,452 1,454 2.136,455 0.84,456 1.675,457 0.923,458 3.177,459 1.415,460 0.523,461 0.581,463 1.067,464 0.46,465 15.8,466 0.465,467 0.887,468 0.026,469 41.75,470 1.228,471 19,472 0.559,473 22.75,474 0.669,475 32.31,476 0.95,477 37.6,478 0.606,479 35.25,480 1.037,481 8.401,482 0.247,483 8.056,484 0.237,485 0.127,487 0.399,493 0.888,494 1.345,495 0.781,496 1.146,497 0.795,498 0.974,499 1.089,500 1.047,501 0.847,502 0.892,503 0.629,504 0.814,505 1.047,506 0.947,507 0.989,508 0.913,509 0.855,510 0.92,511 0.525,512 1.097,513 0.94,514 1.167,515 0.528,516 1.144,517 0.751,518 1.026,519 0.898,520 1.03,521 0.822,522 1.009,523 0.739,524 1.039,525 0.827,526 0.956,527 0.562,528 0.916,529 1.099,530 0.833,531 0.999,532 0.8,533 1.035,534 0.854,535 0.849,536 1.235,537 1.077,538 1.263,539 0.877,540 1.228,541 6.5,542 0.233,543 3.778,544 3.903,545 1.899,546 1.394,547 0.889,548 0.754,549 0.53,550 0.359,551 16610,552 44805,553 2.109,554 45.2,556 21,559 2,560 3,562 2,564 1.765,565 1.962,566 3.533,567 0.177,573 94.833,574 1.53,575 3.736,576 4.904,577 5.317,578 5.381,579 5.381,580 3.063,581 4.793,582 5.054,583 3.732,584 2093.91,585 8.894,586 31502.5,591 369.16,592 1.449,593 5.014,594 0.171,595 0.007,596 0.069,597 0.067,598 0.036,599 0.029,600 0.018,601 0.015,602 0.01,603 0.008,604 0.43,605 0.33,606 0.75,607 0.706,608 180.739,609 -0.074,610 -0.169,611 0.051,612 -0.053,613 -0.081,614 0.01,615 -0.14,616 0.078,617 0.073,618 0.115,619 0.017,620 0.143,621 -0.08,622 0.14,623 -0.049,624 0.082,625 -0.001,626 0.04,627 0.212,628 -0.067,629 -0.021,630 -0.142,631 0.281,632 -0.131,633 0.03,634 -0.063,635 0.064,636 -0.026,637 -0.017,638 0.014,639 0.061,640 -0.046,641 0.143,642 0.025,643 0.151,644 0.088,645 -0.097,646 0.204,647 -0.021,648 0.171,649 -0.092,650 0.11,651 -0.008,652 -0.179,653 -0.173,654 -0.221,655 -0.014,656 -0.232,657 2.081,658 5.975,659 0.706,660 38.453,661 1.011,662 1.123,663 1.487,664 2.211,665 0.655,666 3.664,667 4.025,668 4.357,669 4.682,670 4.913,671 5.056,672 5.231,673 5.412,674 5.509,675 5.642,676 7.236,677 0.632,678 464.56,679 3.664,680 5.231,681 6.111,682 7.018,683 7.918,684 8.835,685 9.745,686 10.668,687 11.584,688 12.51,689 3.2,692 1,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 62,733 18,734 2,735 38,737 66,738 26,739 14,740 7,741 5,742 3,746 5,747 7,752 1,758 1,761 17,762 9,766 2,771 1,773 1,775 2,781 28,782 7,783 2,784 8,790 2,794 0.6,795 6,807 1,811 2,812 3,815 2,831 2,836 1,839 1,840 3,844 2,848 34,853 2,854 7,856 3,859 1,870 9.7,872 2,873 1,874 1,875 2,877 17.333,878 11.717,879 7.417,880 3.732,881 3.864,882 1.459,883 0.962,884 6.467,885 12.275,886 3.892,887 4.53,888 5.177,889 5.826,890 6.382,891 6.807,892 7.242,893 7.697,894 8.005,895 8.418,896 1,897 58,898 12.66,900 5.549,901 7.804,902 24.105,904 20.215,905 2.304,906 78.333,910 306.049,911 131.417,912 5.023,914 143.511,917 131.417,918 449.56,919 5.023,920 19.708,921 20.142,922 56.857,923 131.888,924 46.454,925 4.901,926 306.049,928 306.049,929 136.44,930 143.511,933 282.506,934 156.054,935 11,937 33.991,938 87.73,939 14.72,941 306.049,942 148.535,943 131.417,946 306.049,947 54.851,948 81.589,950 143.511,951 306.049,952 148.535,953 131.417,955 0.587,956 0.356,957 0.2,958 0.108,959 28,960 13,961 0.091,962 6,963 2,964 1.167,965 4.407,966 334.848,967 0.167,968 24,969 168.974,974 23.085,975 9.525,976 4.409,977 2.005,978 146.636,979 8.403,984 2.349,985 2.261,986 85.367,987 586,988 48,993 12.975,995 1.717,997 -0.308,999 62.654,1000 69.651,1001 0.257,1002 0.627,1003 0.824,1004 0.893,1005 0.904,1006 0.904,1007 5.165,1008 1.91,1009 6.116,1010 6.032,1011 4.71,1012 5.218,1013 1.856,1014 6.984,1015 4.615,1016 6.389,1017 1.793,1018 7.709,1019 6.002,1020 4.369,1021 5.19,1022 0.325,1023 7.982,1024 4.245,1025 7.724,1026 1.56,1027 9.404,1028 5.5,1029 6.354,1030 7.49,1031 1.557,1032 11.143,1033 6.192,1034 9.098,1035 1.243,1036 11.158,1037 3.437,1038 6.847,1039 8.31,1040 0.268,1041 13.007,1042 6.666,1043 10.508,1044 1.212,1045 12.952,1046 3.31,1047 8.316,1048 10.122,1049 1.308,1050 15.703,1051 8.105,1052 11.945,1053 1,1054 14.774,1055 2.86,1056 9.197,1057 11.334,1058 0.188,1059 17.934,1060 8.97,1061 13.404,1062 0.882,1063 16.618,1064 2.171,1065 10.478,1066 12.967,1067 1.087,1068 20.477,1069 10.225,1070 3.351,1071 0.523,1072 18.48,1073 2.136,1074 11.537,1075 14.36,1076 0.125,1077 22.854,1078 11.266,1079 3.237,1080 11.993,1081 20.355,1082 1.067,1083 12.752,1084 15.927,1085 0.89,1086 25.346,1087 12.458,1088 2.528,1089 11.383,1090 22.243,1091 4.739,1092 13.888,1093 17.4,1094 0.082,1095 27.779,1096 13.573,1097 2.512,1098 7.909,1099 24.14,1100 4.248,1101 15.084,1102 18.946,1103 0.718,1104 30.254,1105 14.745,1106 2.459,1107 7.505,1108 26.045,1109 3.395,1110 16.253,1111 20.456,1112 0.054,1113 32.709,1114 15.891,1115 2.167,1116 6.975,1117 27.957,1118 3.281,1119 17.446,1120 21.996,1121 0.571,1122 35.179,1123 17.059,1124 2.011,1125 6.911,1126 29.873,1127 2.899,1128 18.63,1129 23.523,1130 0.035,1131 37.642,1132 18.218,1133 15582,1134 25834,1135 25.372,1136 40.637,1137 57.597,1138 59.736,1139 59.861,1140 57.418,1141 57.43,1142 72.595,1143 6.76,1144 171.693,1145 54.485,1146 5.771,1147 5.761,1148 6.823,1149 5.426,1150 5.351,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 17.285,1156 1.516,1157 1.572,1158 1.575,1159 1.511,1160 1.511,1161 1.91,1162 0.178,1163 4.518,1164 1.434,1165 4.174,1166 4.201,1167 4.144,1168 4.087,1169 7.428,1170 4.098,1171 3.975,1172 3.975,1173 3.952,1174 3.878,1175 6.492,1176 3.894,1177 3.813,1178 3.875,1179 3.69,1180 3.606,1181 6.445,1182 3.616,1183 3.592,1184 3.632,1185 3.512,1186 3.46,1187 4.97,1188 3.467,1189 3.505,1190 3.537,1191 3.422,1192 3.352,1193 4.755,1194 3.358,1195 3.366,1196 3.405,1197 3.229,1198 3.191,1199 4.627,1200 3.194,1201 3.192,1202 3.272,1203 2.997,1204 2.941,1205 4.578,1206 2.942,1207 3.111,1208 3.206,1209 2.932,1210 2.941,1211 4.139,1212 2.91,1213 0.126,1214 0.099,1215 0.185,1216 0.114,1217 0.088,1218 4.771,1219 0.125,1220 3.761,1221 0.023,1222 7.021,1223 0.316,1224 4.323,1225 0.086,1226 3.351,1227 4.739,1228 0.86,1229 11.993,1230 3.259,1231 1.942,1232 1.924,1233 2.03,1234 2.05,1235 1.319,1236 2.046,1237 1.851,1238 1.845,1239 1.975,1240 1.983,1241 1.182,1242 1.982,1243 1.787,1244 1.735,1245 1.911,1246 1.952,1247 1.119,1248 1.937,1249 1.694,1250 1.646,1251 1.868,1252 1.88,1253 1.035,1254 1.878,1255 1.482,1256 1.443,1257 1.715,1258 1.672,1259 0.911,1260 1.68,1261 1.326,1262 1.28,1263 1.577,1264 1.549,1265 0.825,1266 1.556,1267 1.2,1268 1.138,1269 1.514,1270 1.493,1271 0.613,1272 1.502,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.563,1278 1.429,1279 4.344,1281 5.694,1282 3.045,1283 7.238,1284 5.587,1285 8.873,1286 7.818,1287 10.559,1289 3.657,1294 19.914,1295 6.304,1297 16.639,1300 2.417,1305 39.18,1306 94.833,1307 231.602,1308 304.041,1309 329.65,1310 333.65,1311 333.65,1312 68.751,1313 8.41,1314 97.3,1315 97.3,1316 28,1317 13.017,1318 4.248,1319 3.459,1320 49.779,1321 142,1322 170,1323 0.165,1324 234.424,1325 414.84,1326 563.754,1327 55972,1329 23.819,1330 0.701,1331 0.569,1332 23.819,1333 19.336,1334 16.457,1335 0.433,1336 0.301,1337 11.221,1338 15.631,1339 10.958,1340 8.987,1341 16.457,1342 11.432,1343 15.019,1344 0.273,1345 0.157,1346 15.019,1347 8.619,1348 13.178,1349 0.171,1350 0.085,1351 13.178,1352 6.551,1353 11.602,1354 0.108,1355 0.045,1356 11.602,1357 4.771,1358 9.11,1359 0.067,1360 0.024,1361 9.11,1362 3.262,1363 0.257,1364 104.554,1365 0.199,1366 31.229,1367 0.462,1368 186,1369 574.532,1370 207.105,1371 536.464,1372 732.88,1373 504,1374 225,1375 537.785,1376 246.996,1377 538.825,1378 798.96,1379 507,1380 8.097}
{0 CHEMBL1092280,1 1.564,2 15.256,3 1.721,4 2.964,5 147.822,6 7.329,7 0.5,8 4.393,9 4.529,10 3.957,11 3.863,12 5.431,13 3.862,14 4.96,15 5.155,16 4.3,17 4.265,18 5.974,19 4.238,20 5.209,21 5.445,22 4.321,23 4.414,24 6.128,25 4.344,26 5.229,27 5.481,28 4.286,29 4.409,30 6.151,31 4.317,32 5.223,33 5.476,34 4.315,35 4.388,36 6.181,37 4.32,38 5.168,39 5.387,40 4.343,41 4.432,42 6.149,43 4.368,44 5.213,45 5.433,46 4.296,47 4.491,48 6.122,49 4.392,50 5.264,51 5.513,52 4.209,53 4.453,54 6.147,55 4.317,56 0.044,57 1.171,58 15.465,59 5.672,60 9.47,61 8.195,62 0.515,63 1.852,64 30.532,65 9.257,66 38.103,67 13.777,68 0.584,69 2.181,70 41.218,71 12.37,72 46.698,73 18.878,74 0.447,75 2.178,76 42.216,77 13.572,78 51.179,79 20.732,80 0.566,81 2.123,82 42.844,83 12.695,84 63.424,85 19.525,86 0.578,87 2.147,88 38.641,89 12.396,90 54.346,91 18.242,92 0.487,93 2.224,94 39.854,95 14.149,96 42.077,97 20.699,98 0.463,99 2.183,100 43.484,101 16.151,102 59.123,103 23.728,104 2,105 60,106 0.242,107 0.565,108 0.699,109 0.804,110 0.82,111 0.824,112 3.693,113 0.916,114 -3.51,115 -3.49,116 -3.33,119 38.9,125 10,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 9,178 2,179 1,180 4,183 5,186 2,187 7,190 1,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 2,212 9,217 2,220 3,223 1,224 6,227 4,229 1,232 8,236 4,237 2,245 6,249 2,250 6,253 5,255 3,258 2,263 6,268 1,275 3492,276 27.223,277 27.223,278 27.223,279 27.223,280 27.223,281 24.559,282 35.21,283 16.503,284 28.061,285 21.823,286 21.823,287 21.823,288 21.823,289 21.823,290 17.736,291 49.227,292 7.96,293 23.139,294 4.606,295 2.511,296 1.645,297 0.965,298 0.861,299 0.833,300 4.414,306 1325,307 3.464,310 97.507,311 635.377,314 172.995,318 2.276,319 30.763,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 84.5,331 595,332 4.674,333 3.562,334 6.841,335 4.203,336 3.256,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.35,343 6.112,344 3.778,345 2.803,346 3.792,347 0.86,348 8.95,349 2.734,350 3.977,351 2.935,352 6.099,353 3.613,354 2.689,355 3.479,356 0.8,357 8.835,358 2.543,359 3.905,360 2.838,361 5.568,362 3.597,363 2.643,364 3.307,365 0.8,366 7.635,367 2.455,368 3.757,369 2.776,370 5.351,371 3.42,372 2.5,373 3.139,374 0.4,375 6.979,376 2.314,377 3.514,378 2.548,379 5.323,380 3.364,381 2.4,382 2.655,383 0.247,384 6.924,385 2.296,386 3.405,387 2.414,388 5.116,389 2.959,390 2.004,391 2.522,393 5.839,394 1.926,395 3.177,396 2.318,397 4.678,398 2.901,399 1.936,400 2.268,402 5.114,403 1.837,404 2.968,405 1.941,406 4.418,407 2.489,408 1.574,409 2.176,411 4.261,412 1.438,413 2.844,414 1.79,415 4.365,416 2.451,417 1.499,418 1.975,420 3.962,421 1.423,422 2.754,423 1.535,424 3.762,425 2.323,426 1.422,427 1.824,428 3.117,429 1.287,430 2.51,431 1.519,432 3.633,433 2.315,434 1.374,435 1.511,436 2.995,437 1.275,438 2.5,439 1.323,440 3.569,441 2.077,442 1.161,443 1.5,445 2.899,446 1.058,447 2.5,448 1.256,449 3.431,450 2,451 1,452 1.5,454 2.275,455 1,456 2.455,457 1.146,458 3.414,459 1.984,460 1,461 1.449,463 2.136,464 0.983,465 18.267,466 0.468,467 0.705,468 0.018,469 51,470 1.308,471 23,472 0.59,473 28,474 0.718,475 34.579,476 0.887,477 42.333,478 0.588,479 41.722,480 1.07,481 10.167,482 0.261,483 9.059,484 0.232,485 0.018,487 0.285,493 0.915,494 1.626,495 0.793,496 1.213,497 0.623,498 1.011,499 1.151,500 1.103,501 0.992,502 0.94,503 0.669,504 0.935,505 1.119,506 1.051,507 1.026,508 0.946,509 0.906,510 0.963,511 0.761,512 1.084,513 0.92,514 1.061,515 0.761,516 1.015,517 1.068,518 0.963,519 0.883,520 0.847,521 1.27,522 0.831,523 1.089,524 0.94,525 1.054,526 0.957,527 1.133,528 0.988,529 0.798,530 1.047,531 1.115,532 1.166,533 0.629,534 1.181,535 0.467,536 1.1,537 0.96,538 1.259,539 0.477,540 1.207,541 6,542 0.17,543 3.333,544 1.757,545 1.64,546 1.524,547 0.816,548 0.32,549 0.431,550 0.317,551 27371,552 66410,553 2.203,554 45.8,556 27,557 1,558 2,559 3,564 1.796,565 2.147,566 3.841,567 0.799,573 112.634,574 1.564,575 3.659,576 4.525,577 5.205,578 5.309,579 5.337,580 3.352,581 4.773,582 5.248,583 4.05,584 3001.03,585 9.271,586 51984.4,591 444.235,592 1.018,593 5.251,594 0.136,595 0.004,596 0.056,597 0.029,598 0.029,599 0.025,600 0.013,601 0.006,602 0.008,603 0.007,604 0.313,605 0.33,606 0.63,607 0.271,608 219.798,609 -0.058,610 -0.361,611 0.076,612 -0.133,614 -0.026,615 -0.024,616 0.057,617 -0.039,618 0.038,619 0.075,620 0.001,621 -0.11,622 -0.004,623 -0.051,624 0.031,625 -0.035,626 0.003,627 0.042,628 -0.075,629 0.044,630 -0.064,631 0.093,632 -0.016,633 -0.053,634 0.03,635 0.111,636 0.126,637 -0.005,638 0.146,639 -0.085,640 0.146,641 -0.098,642 0.041,643 -0.063,644 -0.018,645 -0.018,646 0.023,647 -0.188,648 -0.124,649 -0.072,650 -0.171,651 0.207,652 -0.135,653 -0.017,654 -0.202,655 0.135,656 -0.16,657 1.983,658 5.394,659 0.846,660 57.172,661 1.002,662 1.137,663 2.284,664 5.215,665 0.654,666 3.807,667 4.111,668 4.394,669 4.682,670 4.942,671 5.05,672 5.273,673 5.464,674 5.609,675 5.775,676 8.784,677 0.624,678 527.7,679 3.807,680 5.342,681 6.192,682 7.064,683 7.932,684 8.814,685 9.694,686 10.584,687 11.471,688 12.368,689 12.5,691 1,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 72,733 23,734 1,735 44,737 77,738 28,739 17,740 2,741 4,746 6,747 7,751 1,761 18,762 10,766 1,771 1,775 1,781 33,782 10,783 3,784 11,790 9,794 0.833,795 2,805 1,806 1,807 1,811 1,812 5,815 1,835 1,836 1,839 1,840 5,848 39,854 10,855 3,856 1,859 2,870 2.8,873 1,874 1,877 18.167,878 12.617,879 8.556,880 4.385,881 3.984,882 1.455,883 1.019,884 8.091,885 12.749,886 4.043,887 4.608,888 5.189,889 5.805,890 6.363,891 6.727,892 7.233,893 7.702,894 8.04,895 8.46,896 1,897 60,898 14.436,900 6.135,901 7.585,902 28.096,904 23.29,905 2.085,906 81.333,910 353.133,911 141.425,912 112.537,914 36.145,917 141.425,918 389.278,919 112.537,921 62.052,922 93.392,923 111.759,924 39.843,925 18.375,926 317.82,928 353.133,929 253.962,930 36.145,933 355.461,934 25.145,935 11,937 104.896,938 96.381,939 50.357,941 353.133,942 148.681,943 141.425,946 353.133,947 47.949,948 101.624,949 54.032,950 86.501,951 353.133,952 148.681,953 141.425,955 0.572,956 0.329,957 0.184,958 0.102,959 29,960 11,961 0.091,962 7,963 1,964 1.061,965 5.063,966 391.407,967 0.061,968 33,969 190.131,974 25.865,975 12.2,976 6.271,977 2.002,978 146.782,979 18.631,980 14.02,984 3.856,985 2.242,986 54.032,987 643.24,988 56,993 12.394,997 -0.316,999 72.174,1000 81.886,1001 0.254,1002 0.593,1003 0.733,1004 0.844,1005 0.86,1006 0.865,1007 5.276,1008 1.936,1009 6.146,1010 5.839,1011 4.796,1012 5.296,1013 2.253,1014 6.929,1015 4.686,1016 6.445,1017 1.574,1018 7.676,1019 5.114,1020 4.205,1021 4.987,1022 1.404,1023 7.751,1024 4.049,1025 7.73,1026 1.499,1027 9.307,1028 4.261,1029 6.351,1030 7.457,1031 2.584,1032 10.883,1033 6.136,1034 9.053,1035 1.422,1036 11.002,1037 3.962,1038 6.635,1039 8.067,1040 2.382,1041 12.606,1042 6.375,1043 10.415,1044 1.374,1045 12.741,1046 3.117,1047 8.191,1048 9.976,1049 3.295,1050 15.239,1051 7.876,1052 11.803,1053 1.161,1054 14.512,1055 2.995,1056 8.901,1057 11.039,1058 3.421,1059 17.349,1060 8.54,1061 13.215,1062 1,1063 16.306,1064 2.899,1065 10.204,1066 12.716,1067 4.17,1068 19.825,1069 9.791,1070 3.256,1071 1,1072 18.119,1073 2.275,1074 11.133,1075 14.012,1076 4.467,1077 22.107,1078 10.67,1079 2.803,1080 11.398,1081 19.946,1082 2.136,1083 12.331,1084 15.59,1085 5.115,1086 24.537,1087 11.818,1088 2.689,1089 8.95,1090 21.785,1091 4.627,1092 13.372,1093 17.004,1094 5.504,1095 26.897,1096 12.807,1097 2.643,1098 8.835,1099 23.635,1100 3.792,1101 14.533,1102 18.545,1103 6.092,1104 29.318,1105 13.916,1106 2.5,1107 7.635,1108 25.494,1109 3.479,1110 15.631,1111 20.016,1112 6.531,1113 31.714,1114 14.962,1115 2.4,1116 6.979,1117 27.361,1118 3.307,1119 16.784,1120 21.545,1121 7.084,1122 34.137,1123 16.062,1124 2.004,1125 6.924,1126 29.234,1127 3.139,1128 17.914,1129 23.045,1130 7.551,1131 36.55,1132 17.138,1133 25036,1134 39233,1135 30.8,1136 47.097,1137 65.491,1138 66.564,1139 65.8,1140 65.375,1141 65.359,1142 82.817,1143 9.526,1144 182.265,1145 61.79,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.256,1151 7.627,1152 2.912,1153 18.809,1154 5.085,1155 8.637,1156 1.488,1157 1.513,1158 1.495,1159 1.486,1160 1.485,1161 1.882,1162 0.217,1163 4.142,1164 1.404,1165 4.145,1166 4.191,1167 4.117,1168 4.007,1169 7.431,1170 4.028,1171 3.914,1172 3.955,1173 3.861,1174 3.817,1175 5.083,1176 3.821,1177 3.854,1178 3.909,1179 3.791,1180 3.741,1181 4.908,1182 3.75,1183 3.811,1184 3.876,1185 3.692,1186 3.607,1187 4.716,1188 3.617,1189 3.739,1190 3.799,1191 3.622,1192 3.514,1193 4.615,1194 3.531,1195 3.454,1196 3.515,1197 3.397,1198 3.225,1199 4.439,1200 3.25,1201 3.364,1202 3.428,1203 3.257,1204 3.126,1205 4.355,1206 3.15,1207 3.176,1208 3.245,1209 3.071,1210 2.955,1211 4.078,1212 2.988,1213 0.106,1214 0.081,1215 0.155,1216 0.096,1217 0.074,1218 4.674,1219 0.105,1220 3.562,1221 0.038,1222 6.841,1223 0.259,1224 4.203,1225 0.07,1226 3.256,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.922,1233 2.032,1234 2.093,1235 1.305,1236 2.073,1237 1.828,1238 1.786,1239 1.997,1240 2.018,1241 1.222,1242 2.017,1243 1.8,1244 1.756,1245 1.94,1246 1.99,1247 1.11,1248 1.977,1249 1.773,1250 1.704,1251 1.926,1252 1.941,1253 1.054,1254 1.941,1255 1.615,1256 1.554,1257 1.796,1258 1.853,1259 0.948,1260 1.84,1261 1.549,1262 1.491,1263 1.721,1264 1.734,1265 0.87,1266 1.732,1267 1.265,1268 1.216,1269 1.513,1270 1.558,1271 0.825,1272 1.513,1273 1.171,1274 1.098,1275 1.513,1276 1.428,1277 0.825,1278 1.434,1279 4.489,1281 5.796,1282 2.398,1283 7.3,1284 4.727,1285 8.892,1286 6.843,1287 10.532,1295 9.043,1296 9.086,1297 5.598,1300 4.779,1305 44.944,1306 112.634,1307 263.415,1308 325.828,1309 374.725,1310 382.235,1311 384.235,1312 54.767,1313 8.765,1314 112.47,1315 112.47,1316 35,1317 12.895,1318 4.585,1319 3.7,1320 55.1,1321 198,1322 237,1323 0.129,1324 271.935,1325 462.74,1326 655.282,1327 91091,1329 26.443,1330 0.678,1331 0.56,1332 26.443,1333 21.844,1334 19.225,1335 0.437,1336 0.305,1337 13.195,1338 18.309,1339 13.015,1340 10.67,1341 19.225,1342 13.44,1343 16.901,1344 0.282,1345 0.162,1346 16.901,1347 9.701,1348 14.406,1349 0.18,1350 0.089,1351 14.406,1352 7.115,1353 12.379,1354 0.116,1355 0.047,1356 12.379,1357 4.99,1358 10.247,1359 0.074,1360 0.025,1361 10.247,1362 3.444,1363 0.205,1364 121.325,1365 0.18,1366 35.554,1367 0.346,1368 208,1369 580.34,1370 231.327,1371 557.486,1372 775.55,1373 528,1374 244,1375 578.752,1376 268.33,1377 582.065,1378 857.13,1379 550,1380 8.155}
{0 CHEMBL1092389,1 1.559,2 19.25,3 3.421,4 11.704,5 183.273,6 7.053,7 0.333,8 4.636,9 4.768,10 4.166,11 4.1,12 5.638,13 4.089,14 5.245,15 5.441,16 4.553,17 4.531,18 6.219,19 4.495,20 5.528,21 5.754,22 4.633,23 4.73,24 6.446,25 4.658,26 5.63,27 5.887,28 4.578,29 4.714,30 6.586,31 4.62,32 5.551,33 5.814,34 4.539,35 4.642,36 6.547,37 4.563,38 5.418,39 5.654,40 4.54,41 4.626,42 6.359,43 4.555,44 5.414,45 5.626,46 4.564,47 4.701,48 6.369,49 4.625,50 5.558,51 5.771,52 4.556,53 4.806,54 6.557,55 4.68,56 0.03,57 1.451,58 21.049,59 7.908,60 11.678,61 11.456,62 0.745,63 2.361,64 42.54,65 13.501,66 53.621,67 19.844,68 0.664,69 2.923,70 57.375,71 17.585,72 61.465,73 27.036,74 0.84,75 2.996,76 65.806,77 19.204,78 97.82,79 29.841,80 1.021,81 2.78,82 61.406,83 16.471,84 119.406,85 26.482,86 0.685,87 2.635,88 51.652,89 15.929,90 66.795,91 24.517,92 0.679,93 2.713,94 50.127,95 16.585,96 59.663,97 24.815,98 0.761,99 2.929,100 57.972,101 22.913,102 118.526,103 32.128,104 27,105 77,106 0.23,107 0.517,108 0.713,109 0.784,110 0.808,111 0.818,112 3.894,113 0.946,114 -4.62,115 -4.54,116 -4.27,119 37.6,120 1,121 4,124 2,125 7,127 4,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 9,174 8,175 11,178 2,179 1,180 4,183 9,186 2,187 11,192 4,195 4,198 4,199 23,204 6,207 2,211 4,212 10,217 4,220 4,223 1,224 15,227 4,229 2,232 11,236 4,237 4,245 14,249 4,250 6,253 7,255 2,258 16,263 7,271 4,275 5478,276 32.687,277 32.687,278 32.687,279 32.687,280 32.687,281 30.433,282 52.028,283 19.008,284 33.619,285 26.653,286 26.653,287 26.653,288 26.653,289 26.653,290 23.063,291 83.067,292 9.023,293 28.161,294 4.981,295 3.03,296 1.705,297 1.223,298 1.057,299 0.992,300 4.612,306 2067,307 4.243,310 129.88,311 1074.91,312 177.21,318 3.104,319 47.982,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 104.5,331 924,332 4.439,333 3.694,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.268,342 3.562,343 6.472,344 3.974,345 3.002,346 3.802,347 1.2,348 10.061,349 2.934,350 4.154,351 3.466,352 6.396,353 3.932,354 2.994,355 3.616,356 0.86,357 9.685,358 2.814,359 4.045,360 3.26,361 6.139,362 3.778,363 2.817,364 3.232,365 0.86,366 9.032,367 2.685,368 3.917,369 2.971,370 5.913,371 3.681,372 2.723,373 3.191,374 0.8,375 8.149,376 2.603,377 3.778,378 2.867,379 5.578,380 3.582,381 2.623,382 3.059,383 0.8,384 7.652,385 2.507,386 3.696,387 2.592,388 5.391,389 3.386,390 2.428,391 2.758,392 0.8,393 7.034,394 2.325,395 3.492,396 2.514,397 5.311,398 3.164,399 2.218,400 2.66,401 0.293,402 6.62,403 2.091,404 3.345,405 2.327,406 5.147,407 3.016,408 2.06,409 2.522,410 0.247,411 6.128,412 1.961,413 3.138,414 2.298,415 5.086,416 2.851,417 1.881,418 2.257,420 5.839,421 1.822,422 3.089,423 2.269,424 4.956,425 2.803,426 1.879,427 2.198,428 5.449,429 1.774,430 2.879,431 2.016,432 4.637,433 2.79,434 1.807,435 1.879,436 4.954,437 1.719,438 2.763,439 1.914,440 4.296,441 2.338,442 1.414,443 1.864,445 3.875,446 1.304,447 2.527,448 1.872,449 3.92,450 2.294,451 1.371,452 1.5,454 3.112,455 1.261,456 2.5,457 1.747,458 3.905,459 2.262,460 1.303,461 1.5,463 3.089,464 1.238,465 22.433,466 0.467,467 1.198,468 0.025,469 57,470 1.188,471 23,472 0.479,473 34,474 0.708,475 52.424,476 1.092,477 53.767,478 0.578,479 51.209,480 1.067,481 10.75,482 0.224,483 12.567,484 0.262,485 0.097,487 0.361,493 0.829,494 1.663,495 0.816,496 1.297,497 0.597,498 1.084,499 1.009,500 1.02,501 0.934,502 0.935,503 0.588,504 0.924,505 1.039,506 1.195,507 1.028,508 1.074,509 0.81,510 1.044,511 1.083,512 1.096,513 0.992,514 1.008,515 1.158,516 0.987,517 1.128,518 0.915,519 0.96,520 0.786,521 1.443,522 0.823,523 0.899,524 1.039,525 0.932,526 0.943,527 0.937,528 0.932,529 0.904,530 1.006,531 1.093,532 1.041,533 0.78,534 1.071,535 0.598,536 1.119,537 1.096,538 1.366,539 0.81,540 1.335,541 9.5,542 0.255,543 5.778,544 3.375,545 1.983,546 1.84,547 1.372,548 0.802,549 0.492,550 0.52,551 52439,552 117904,553 2.148,554 48.4,556 32,559 2,561 7,562 4,564 1.838,565 2.028,566 4.098,567 0.127,573 144.954,574 1.559,575 3.509,576 4.835,577 5.316,578 5.483,579 5.547,580 3.544,581 4.689,582 5.555,583 4.415,584 4979.56,585 9.837,586 105794,591 608.142,592 1.349,593 5.525,594 0.176,595 0.006,596 0.075,597 0.042,598 0.027,599 0.025,600 0.018,601 0.01,602 0.007,603 0.01,604 0.396,605 0.17,606 0.63,607 0.573,608 292.075,609 -0.027,610 -0.357,611 0.084,612 -0.143,613 -0.012,614 -0.032,615 0.075,616 0.15,617 0.043,618 0.082,619 0.1,620 0.052,621 -0.083,622 -0.105,623 -0.057,624 -0.065,625 -0.002,626 -0.055,627 -0.066,628 -0.1,629 0.005,630 -0.042,631 -0.02,632 -0.014,633 -0.064,634 0.097,635 0.052,636 0.145,637 -0.097,638 0.127,639 -0.008,640 0.046,641 0.037,642 0.057,643 -0.027,644 0.056,645 -0.057,646 0.146,647 -0.146,648 -0.001,649 -0.036,650 -0.066,651 0.179,652 -0.068,653 -0.169,654 -0.254,655 0.153,656 -0.273,657 2.04,658 6.011,659 0.792,660 75.958,661 1.001,662 1.138,663 3.389,664 11.489,665 0.641,666 4.007,667 4.357,668 4.654,669 4.927,670 5.17,671 5.303,672 5.489,673 5.638,674 5.771,675 5.938,676 11.299,677 0.608,678 655.89,679 4.007,680 5.572,681 6.438,682 7.324,683 8.202,684 9.093,685 9.977,686 10.871,687 11.759,688 12.656,689 9.7,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 93,733 20,734 2,735 54,737 99,738 35,739 15,740 4,741 8,742 1,746 7,747 8,751 1,752 1,755 8,758 8,761 17,762 18,766 2,771 2,775 2,781 45,782 13,783 2,784 13,790 9,794 0.857,795 4,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 3,848 48,854 11,855 2,856 2,858 4,859 4,870 4.3,873 2,874 2,877 23.667,878 17.317,879 10.333,880 5.819,881 3.494,882 1.368,883 0.976,884 10.009,885 12.979,886 4.19,887 4.714,888 5.222,889 5.745,890 6.268,891 6.556,892 6.988,893 7.355,894 7.65,895 8.028,896 1,897 81,898 17.901,900 7.759,901 7.622,902 34.845,904 29.609,905 2.122,906 101.833,910 506.157,911 163.244,912 98.875,914 72.29,917 163.244,918 578.447,919 98.875,920 25.618,921 73.971,922 75.81,923 127.351,924 23.586,925 8.074,926 506.157,928 506.157,929 262.119,930 72.29,933 379.003,934 179.772,935 22,937 89.718,938 119.716,939 50.357,941 506.157,942 171.165,943 163.244,946 506.157,947 61.816,948 113.925,949 36.022,950 122.646,951 506.157,952 171.165,953 163.244,955 0.589,956 0.347,957 0.185,958 0.098,959 38,960 17,961 0.071,962 7,963 2,964 1.079,965 5.698,966 519.018,967 0.105,968 37,969 248.078,974 33.025,975 14.548,976 7.424,978 171.165,979 14.56,980 14.838,984 4.616,986 36.022,987 840.566,988 65,993 25.871,997 -0.348,999 93.13,1000 105.796,1001 0.238,1002 0.537,1003 0.739,1004 0.813,1005 0.838,1006 0.848,1007 5.47,1008 2.218,1009 6.428,1010 7.034,1011 5.043,1012 5.403,1013 2.675,1014 7.249,1015 4.94,1016 6.637,1017 2.06,1018 7.994,1019 6.62,1020 4.635,1021 5.121,1022 1.577,1023 8.155,1024 4.487,1025 7.926,1026 1.881,1027 9.657,1028 6.128,1029 6.653,1030 7.435,1031 2.906,1032 11.256,1033 6.446,1034 9.242,1035 1.879,1036 11.378,1037 5.839,1038 7.057,1039 7.942,1040 2.49,1041 12.995,1042 6.8,1043 10.59,1044 1.807,1045 13.135,1046 5.449,1047 8.538,1048 9.766,1049 3.489,1050 15.609,1051 8.226,1052 11.959,1053 1.414,1054 14.919,1055 4.954,1056 9.317,1057 10.646,1058 3.482,1059 17.703,1060 8.949,1061 13.345,1062 1.371,1063 16.722,1064 3.875,1065 10.58,1066 12.259,1067 4.274,1068 20.154,1069 10.157,1070 3.226,1071 1.303,1072 18.539,1073 3.112,1074 11.54,1075 13.339,1076 4.502,1077 22.408,1078 11.055,1079 3.002,1080 11.305,1081 20.368,1082 3.089,1083 12.713,1084 14.844,1085 5.169,1086 24.806,1087 12.173,1088 2.994,1089 10.061,1090 22.207,1091 4.06,1092 13.759,1093 16.041,1094 5.524,1095 27.133,1096 13.155,1097 2.817,1098 9.685,1099 24.054,1100 3.802,1101 14.899,1102 17.489,1103 6.119,1104 29.52,1105 14.237,1106 2.723,1107 9.032,1108 25.908,1109 3.616,1110 15.987,1111 18.757,1112 6.542,1113 31.882,1114 15.26,1115 2.623,1116 8.149,1117 27.767,1118 3.232,1119 17.118,1120 20.173,1121 7.097,1122 34.271,1123 16.329,1124 2.428,1125 7.652,1126 29.631,1127 3.191,1128 18.228,1129 21.485,1130 7.557,1131 36.653,1132 17.373,1133 47846,1134 72041,1135 36.698,1136 59.574,1137 82.366,1138 84.098,1139 84.108,1140 81.61,1141 81.57,1142 96.829,1143 15.032,1144 237.764,1145 77.412,1146 5.439,1147 5.694,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 22.951,1156 1.525,1157 1.557,1158 1.558,1159 1.511,1160 1.511,1161 1.793,1162 0.278,1163 4.403,1164 1.434,1165 4.056,1166 4.105,1167 4.005,1168 3.922,1169 7.432,1170 3.933,1171 3.959,1172 4.002,1173 3.904,1174 3.854,1175 7.427,1176 3.859,1177 3.903,1178 3.944,1179 3.826,1180 3.778,1181 5.079,1182 3.784,1183 3.837,1184 3.893,1185 3.736,1186 3.691,1187 4.734,1188 3.69,1189 3.814,1190 3.865,1191 3.717,1192 3.623,1193 4.695,1194 3.64,1195 3.596,1196 3.653,1197 3.534,1198 3.371,1199 4.633,1200 3.407,1201 3.493,1202 3.573,1203 3.409,1204 3.239,1205 4.601,1206 3.268,1207 3.386,1208 3.44,1209 3.283,1210 3.12,1211 4.389,1212 3.153,1213 0.082,1214 0.068,1215 0.126,1216 0.077,1217 0.06,1218 4.439,1219 0.075,1220 3.694,1221 0.031,1222 6.819,1223 0.209,1224 4.152,1225 0.055,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.937,1232 1.907,1233 2.06,1234 2.08,1235 1.411,1236 2.069,1237 1.917,1238 1.888,1239 2.021,1240 2.064,1241 1.255,1242 2.053,1243 1.816,1244 1.757,1245 1.983,1246 1.989,1247 1.245,1248 1.986,1249 1.773,1250 1.718,1251 1.955,1252 1.952,1253 1.196,1254 1.959,1255 1.679,1256 1.627,1257 1.86,1258 1.91,1259 1.104,1260 1.897,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.087,1266 1.798,1267 1.455,1268 1.402,1269 1.728,1270 1.724,1271 0.894,1272 1.72,1273 1.424,1274 1.338,1275 1.64,1276 1.693,1277 0.835,1278 1.668,1279 4.691,1281 6.033,1282 2.398,1283 7.567,1284 4.844,1285 9.184,1286 6.986,1287 10.843,1289 6.294,1295 8.911,1296 5.758,1297 11.491,1299 1.193,1300 8.648,1305 56.534,1306 144.954,1307 326.352,1308 449.612,1309 494.367,1310 509.877,1311 515.877,1312 90.56,1313 9.485,1314 128.29,1315 128.29,1316 41,1317 13.182,1318 4.392,1319 3.585,1320 69.094,1321 334,1322 352,1323 0.099,1324 339.681,1325 599.96,1326 820.581,1327 239794,1329 33.2,1330 0.692,1331 0.583,1332 33.2,1333 27.97,1334 23.318,1335 0.432,1336 0.315,1337 16.726,1338 22.207,1339 16.339,1340 13.442,1341 23.318,1342 17.029,1343 21.435,1344 0.278,1345 0.174,1346 21.435,1347 13.427,1348 18.458,1349 0.177,1350 0.096,1351 18.458,1352 9.98,1353 15.635,1354 0.114,1355 0.052,1356 15.635,1357 7.166,1358 12.573,1359 0.072,1360 0.027,1361 12.573,1362 4.775,1363 0.163,1364 147.459,1365 0.165,1366 42.438,1367 0.252,1368 262,1369 727.124,1370 293.001,1371 689.356,1372 950.33,1373 650,1374 312,1375 703.771,1376 344.668,1377 708.164,1378 1047.36,1379 665,1380 7.284}
{0 CHEMBL1092390,1 1.585,2 18.435,3 3.268,4 10.677,5 173.872,6 7.216,7 0.346,8 4.579,9 4.708,10 4.129,11 4.04,12 5.594,13 4.037,14 5.183,15 5.376,16 4.515,17 4.467,18 6.181,19 4.44,20 5.458,21 5.681,22 4.583,23 4.658,24 6.397,25 4.593,26 5.536,27 5.788,28 4.52,29 4.619,30 6.522,31 4.536,32 5.43,33 5.686,34 4.499,35 4.536,36 6.482,37 4.482,38 5.279,39 5.481,40 4.51,41 4.56,42 6.281,43 4.505,44 5.39,45 5.606,46 4.513,47 4.658,48 6.337,49 4.582,50 5.498,51 5.712,52 4.502,53 4.758,54 6.468,55 4.627,56 0.052,57 1.374,58 19.17,59 7.26,60 10.405,61 10.388,62 0.762,63 2.231,64 39.28,65 12.356,66 51.535,67 17.961,68 0.728,69 2.73,70 52.978,71 16.181,72 58.728,73 24.541,74 0.812,75 2.737,76 59.624,77 17.305,78 94.89,79 26.687,80 1.108,81 2.511,82 54.357,83 13.753,84 115.741,85 22.107,86 0.514,87 2.43,88 42.729,89 14.128,90 53.843,91 20.968,92 0.795,93 2.625,94 48.753,95 15.699,96 64.396,97 23.405,98 0.67,99 2.792,100 53.382,101 21.912,102 99.615,103 30.742,104 17,105 74,106 0.237,107 0.53,108 0.714,109 0.788,110 0.815,111 0.825,112 3.853,113 0.931,114 -4.26,115 -4.19,116 -3.96,119 37.9,120 1,121 2,124 1,125 9,127 3,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 9,174 8,175 7,178 2,179 1,180 4,183 8,186 3,187 11,192 4,195 4,198 3,199 21,204 6,211 5,212 11,217 4,224 16,227 4,229 2,232 7,236 4,237 4,245 14,249 4,250 4,253 7,258 16,263 7,266 1,271 4,275 4970,276 31.48,277 31.48,278 31.48,279 31.48,280 31.48,281 29.226,282 47.94,283 18.373,284 32.421,285 25.685,286 25.685,287 25.685,288 25.685,289 25.685,290 22.095,291 73.496,292 8.764,293 27.204,294 4.858,295 2.89,296 1.658,297 1.161,298 0.983,299 0.914,300 4.573,306 1908,307 3.873,310 121.844,311 1015.02,312 166.278,318 2.943,319 47.146,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 100.5,331 848,332 4.439,333 3.695,334 6.819,335 4.152,336 3.226,337 4.06,338 1.656,339 11.305,340 2.99,341 4.267,342 3.562,343 6.472,344 3.965,345 3.002,346 3.802,347 1.2,348 10.061,349 2.928,350 4.154,351 3.466,352 6.393,353 3.932,354 2.984,355 3.616,356 0.86,357 9.676,358 2.814,359 4.045,360 3.26,361 6.139,362 3.778,363 2.817,364 3.231,365 0.86,366 9.032,367 2.685,368 3.913,369 2.867,370 5.581,371 3.61,372 2.651,373 3.191,374 0.8,375 7.661,376 2.534,377 3.756,378 2.773,379 5.402,380 3.433,381 2.48,382 3.058,383 0.8,384 7.065,385 2.36,386 3.525,387 2.581,388 5.323,389 3.293,390 2.346,391 2.688,392 0.8,393 6.647,394 2.214,395 3.43,396 2.51,397 5.217,398 3.144,399 2.2,400 2.563,401 0.293,402 6.466,403 2.07,404 3.301,405 2.323,406 5.086,407 2.94,408 1.979,409 2.433,410 0.247,411 5.839,412 1.896,413 3.09,414 2.269,415 4.957,416 2.851,417 1.88,418 2.199,420 5.619,421 1.822,422 3.035,423 2.157,424 4.916,425 2.796,426 1.879,427 2.111,428 5.448,429 1.72,430 2.879,431 2.016,432 4.632,433 2.738,434 1.766,435 1.879,436 4.931,437 1.7,438 2.762,439 1.914,440 4.295,441 2.337,442 1.414,443 1.862,445 3.873,446 1.303,447 2.5,448 1.863,449 3.906,450 2.287,451 1.368,452 1.5,454 3.091,455 1.249,456 2.5,457 1.747,458 3.82,459 2.166,460 1.281,461 1.5,463 2.874,464 1.12,465 21.433,466 0.466,467 1.109,468 0.024,469 56,470 1.217,471 23,472 0.5,473 33,474 0.717,475 47.738,476 1.038,477 51.167,478 0.588,479 49.718,480 1.081,481 10.726,482 0.233,483 11.681,484 0.254,485 0.078,487 0.355,493 0.832,494 1.669,495 0.791,496 1.287,497 0.588,498 1.064,499 1.022,500 1.015,501 0.935,502 0.924,503 0.595,504 0.915,505 1.041,506 1.149,507 1.029,508 1.051,509 0.82,510 1.03,511 1.091,512 1.144,513 0.975,514 1.025,515 1.194,516 0.987,517 1.216,518 0.831,519 0.963,520 0.675,521 1.539,522 0.741,523 0.904,524 1.225,525 1.006,526 1.125,527 0.932,528 1.081,529 0.961,530 0.948,531 1.127,532 0.986,533 0.886,534 1.052,535 0.399,536 1.137,537 1.062,538 1.426,539 0.403,540 1.381,541 9,542 0.214,543 5.333,544 3.125,545 1.903,546 1.715,547 1.29,548 0.74,549 0.442,550 0.5,551 46389,552 108322,553 2.168,554 47.1,556 32,559 2,561 7,564 1.829,565 2.06,566 4.031,567 0.148,573 137.882,574 1.585,575 3.553,576 4.785,577 5.282,578 5.46,579 5.529,580 3.461,581 4.898,582 5.494,583 4.332,584 4483.75,585 9.719,586 91212.2,591 560.536,592 1.302,593 5.469,594 0.173,595 0.005,596 0.072,597 0.041,598 0.027,599 0.024,600 0.018,601 0.01,602 0.007,603 0.01,604 0.387,605 0.17,606 0.63,607 0.426,608 275.589,609 -0.037,610 -0.374,611 0.084,612 -0.152,613 -0.013,614 -0.034,615 0.059,616 0.152,617 0.029,618 0.08,619 0.089,620 0.045,621 -0.084,622 -0.066,623 -0.063,624 -0.051,625 -0.008,626 -0.05,627 -0.073,628 -0.159,629 0.023,630 -0.056,631 -0.025,632 -0.011,633 -0.087,634 0.199,635 0.057,636 0.237,637 -0.114,638 0.189,639 -0.049,640 -0.079,641 -0.072,642 -0.089,643 -0.05,644 -0.085,645 -0.1,646 0.181,647 -0.184,648 0.033,649 -0.099,650 -0.063,651 0.234,652 -0.09,653 -0.159,654 -0.306,655 0.219,656 -0.307,657 2.042,658 5.836,659 0.826,660 68.83,661 1.004,662 1.138,663 3.025,664 9.152,665 0.644,666 3.97,667 4.317,668 4.615,669 4.898,670 5.147,671 5.263,672 5.438,673 5.609,674 5.746,675 5.916,676 10.713,677 0.615,678 627.83,679 3.97,680 5.533,681 6.399,682 7.286,683 8.163,684 9.055,685 9.938,686 10.833,687 11.721,688 12.618,689 10.3,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 87,733 20,734 2,735 52,737 93,738 33,739 15,740 4,741 8,742 1,746 7,747 8,751 1,752 1,755 5,758 5,761 17,762 16,766 2,771 2,775 2,781 41,782 13,783 2,784 13,790 9,794 0.857,795 4,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 2,848 46,854 11,855 2,856 2,858 3,859 4,870 4.6,873 2,874 2,877 22.333,878 15.983,879 9.889,880 5.419,881 3.474,882 1.372,883 0.987,884 9.269,885 12.824,886 4.159,887 4.687,888 5.2,889 5.732,890 6.261,891 6.544,892 6.973,893 7.348,894 7.641,895 8.019,896 0.917,897 77,898 17.146,900 7.456,901 7.641,902 33.272,904 28.238,905 2.141,906 98.5,910 459.073,911 153.99,912 98.875,914 72.29,917 153.99,918 531.363,919 98.875,920 17.222,921 73.113,922 75.81,923 127.351,924 23.586,925 8.074,926 459.073,928 459.073,929 252.865,930 72.29,933 379.003,934 132.688,935 22,937 88.861,938 111.32,939 50.357,941 459.073,942 171.165,943 153.99,946 459.073,947 60.958,948 105.529,949 36.022,950 122.646,951 459.073,952 171.165,953 153.99,955 0.588,956 0.346,957 0.187,958 0.102,959 37,960 16,961 0.065,962 6,963 2,964 1.079,965 5.56,966 493.492,967 0.105,968 37,969 231.329,974 31.123,975 13.7,976 6.96,978 171.165,979 14.5,980 14.818,984 4.603,986 36.022,987 784.228,988 63,993 25.641,997 -0.363,999 87.363,1000 98.966,1001 0.246,1002 0.551,1003 0.743,1004 0.82,1005 0.847,1006 0.858,1007 5.436,1008 2.2,1009 6.385,1010 6.647,1011 5.004,1012 5.375,1013 2.675,1014 7.203,1015 4.896,1016 6.602,1017 1.979,1018 7.946,1019 6.466,1020 4.575,1021 5.085,1022 1.577,1023 8.095,1024 4.424,1025 7.891,1026 1.88,1027 9.604,1028 5.839,1029 6.608,1030 7.414,1031 2.906,1032 11.204,1033 6.393,1034 9.206,1035 1.879,1036 11.32,1037 5.619,1038 6.995,1039 7.917,1040 2.49,1041 12.941,1042 6.734,1043 10.555,1044 1.766,1045 13.075,1046 5.448,1047 8.486,1048 9.752,1049 3.489,1050 15.564,1051 8.165,1052 11.924,1053 1.414,1054 14.856,1055 4.931,1056 9.257,1057 10.63,1058 3.482,1059 17.663,1060 8.882,1061 13.31,1062 1.368,1063 16.658,1064 3.873,1065 10.526,1066 12.249,1067 4.274,1068 20.121,1069 10.093,1070 3.226,1071 1.281,1072 18.476,1073 3.091,1074 11.483,1075 13.329,1076 4.502,1077 22.381,1078 10.991,1079 3.002,1080 11.305,1081 20.306,1082 2.874,1083 12.661,1084 14.838,1085 5.169,1086 24.784,1087 12.111,1088 2.984,1089 10.061,1090 22.147,1091 4.06,1092 13.707,1093 16.036,1094 5.524,1095 27.116,1096 13.096,1097 2.817,1098 9.676,1099 23.996,1100 3.802,1101 14.851,1102 17.486,1103 6.119,1104 29.506,1105 14.18,1106 2.651,1107 9.032,1108 25.853,1109 3.616,1110 15.942,1111 18.754,1112 6.542,1113 31.872,1114 15.206,1115 2.48,1116 7.661,1117 27.716,1118 3.231,1119 17.076,1120 20.171,1121 7.097,1122 34.263,1123 16.277,1124 2.346,1125 7.065,1126 29.584,1127 3.191,1128 18.189,1129 21.483,1130 7.557,1131 36.647,1132 17.324,1133 42056,1134 64497,1135 35.6,1136 56.052,1137 79.079,1138 80.758,1139 80.685,1140 78.301,1141 78.274,1142 93.53,1143 15.032,1144 227.717,1145 74.118,1146 5.439,1147 5.695,1148 6.504,1149 5.255,1150 5.226,1151 7.06,1152 2.912,1153 18.322,1154 4.99,1155 19.751,1156 1.521,1157 1.553,1158 1.552,1159 1.506,1160 1.505,1161 1.799,1162 0.289,1163 4.379,1164 1.425,1165 4.052,1166 4.102,1167 4.003,1168 3.919,1169 7.432,1170 3.93,1171 3.954,1172 3.994,1173 3.901,1174 3.851,1175 7.427,1176 3.856,1177 3.902,1178 3.942,1179 3.825,1180 3.777,1181 5.079,1182 3.784,1183 3.822,1184 3.878,1185 3.729,1186 3.626,1187 4.734,1188 3.643,1189 3.789,1190 3.852,1191 3.682,1192 3.596,1193 4.695,1194 3.608,1195 3.594,1196 3.651,1197 3.531,1198 3.37,1199 4.633,1200 3.406,1201 3.429,1202 3.474,1203 3.375,1204 3.167,1205 4.601,1206 3.214,1207 3.267,1208 3.352,1209 3.176,1210 3.087,1211 4.363,1212 3.064,1213 0.085,1214 0.071,1215 0.131,1216 0.08,1217 0.062,1218 4.439,1219 0.078,1220 3.695,1221 0.032,1222 6.819,1223 0.217,1224 4.152,1225 0.057,1226 3.226,1227 4.06,1228 1.656,1229 11.305,1230 2.99,1231 1.936,1232 1.906,1233 2.033,1234 2.08,1235 1.287,1236 2.06,1237 1.913,1238 1.885,1239 2.015,1240 2.053,1241 1.255,1242 2.044,1243 1.774,1244 1.719,1245 1.958,1246 1.98,1247 1.245,1248 1.975,1249 1.748,1250 1.677,1251 1.949,1252 1.942,1253 1.196,1254 1.948,1255 1.679,1256 1.627,1257 1.86,1258 1.909,1259 1.103,1260 1.897,1261 1.604,1262 1.543,1263 1.856,1264 1.76,1265 1.081,1266 1.798,1267 1.453,1268 1.4,1269 1.64,1270 1.709,1271 0.894,1272 1.671,1273 1.299,1274 1.247,1275 1.556,1276 1.584,1277 0.825,1278 1.566,1279 4.654,1281 5.994,1282 2.398,1283 7.527,1284 4.844,1285 9.143,1286 6.986,1287 10.804,1289 4.18,1295 8.637,1296 5.735,1297 11.479,1299 0.683,1300 8.588,1305 53.481,1306 137.882,1307 309.082,1308 416.297,1309 459.517,1310 475.026,1311 481.026,1312 82.666,1313 9.35,1314 128.29,1315 128.29,1316 41,1317 13.144,1318 4.392,1319 3.585,1320 64.757,1321 300,1322 338,1323 0.102,1324 320.496,1325 565.36,1326 773.771,1327 200798,1329 31.622,1330 0.687,1331 0.574,1332 31.622,1333 26.393,1334 22.407,1335 0.431,1336 0.31,1337 15.839,1338 21.3,1339 15.522,1340 12.727,1341 22.407,1342 16.14,1343 20.536,1344 0.278,1345 0.169,1346 20.536,1347 12.535,1348 17.759,1349 0.178,1350 0.093,1351 17.759,1352 9.289,1353 15.109,1354 0.114,1355 0.05,1356 15.109,1357 6.591,1358 12.369,1359 0.072,1360 0.026,1361 12.369,1362 4.512,1363 0.167,1364 141.947,1365 0.168,1366 40.93,1367 0.263,1368 252,1369 717.124,1370 283.001,1371 678.328,1372 934.95,1373 640,1374 300,1375 691.771,1376 332.724,1377 694.295,1378 1028.94,1379 653,1380 7.222}
{0 CHEMBL1092391,1 1.563,2 16.977,3 3.621,4 13.11,5 167.094,6 7.202,7 0.353,8 4.545,9 4.676,10 4.102,11 4.022,12 5.521,13 4.018,14 5.162,15 5.346,16 4.5,17 4.473,18 6.123,19 4.44,20 5.464,21 5.702,22 4.541,23 4.649,24 6.318,25 4.572,26 5.47,27 5.727,28 4.452,29 4.581,30 6.367,31 4.486,32 5.357,33 5.615,34 4.447,35 4.497,36 6.361,37 4.437,38 5.232,39 5.441,40 4.464,41 4.497,42 6.185,43 4.447,44 5.298,45 5.511,46 4.486,47 4.601,48 6.216,49 4.535,50 5.45,51 5.655,52 4.504,53 4.756,54 6.327,55 4.633,56 0.042,57 1.34,58 18.544,59 7.01,60 9.186,61 10.003,62 0.632,63 2.235,64 37.875,65 12.458,66 47.906,67 17.896,68 0.714,69 2.742,70 53.889,71 16.252,72 52.739,73 24.935,74 0.632,75 2.648,76 55.281,77 16.647,78 64.578,79 25.789,80 0.876,81 2.42,82 49.803,83 13.259,84 92.5,85 21.241,86 0.419,87 2.334,88 41.063,89 12.81,90 46,91 19.42,92 0.782,93 2.487,94 44.067,95 13.873,96 51.846,97 20.848,98 0.402,99 2.746,100 50.015,101 21.372,102 57.925,103 29.551,104 2,105 73,106 0.235,107 0.525,108 0.663,109 0.707,110 0.727,111 0.731,112 3.81,113 0.935,114 -4.45,115 -4.38,116 -4.12,119 38.6,121 4,125 8,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 8,174 7,175 8,178 2,179 1,180 4,183 6,186 2,187 10,190 1,192 4,195 4,198 3,199 19,204 5,211 4,212 10,215 1,217 6,224 15,227 2,229 3,232 8,236 5,237 2,240 1,245 16,249 2,250 4,253 5,254 1,258 18,263 10,271 2,275 4486,276 30.772,277 30.772,278 30.772,279 30.772,280 30.772,281 28.611,282 50.872,283 18.074,284 31.658,285 25.272,286 25.272,287 25.272,288 25.272,289 25.272,290 21.894,291 81.58,292 8.645,293 26.76,294 4.812,295 2.887,296 1.97,297 1.681,298 1.542,299 1.518,300 4.545,306 1728,307 3.464,310 220.882,311 910.905,312 302.298,318 2.663,319 38.948,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 95.5,331 747,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.703,347 0.86,348 11.103,349 2.926,350 4.163,351 3.403,352 6.17,353 3.837,354 2.879,355 3.621,356 0.86,357 9.179,358 2.776,359 4.136,360 3.108,361 6.143,362 3.817,363 2.857,364 3.257,365 0.8,366 9.057,367 2.732,368 3.884,369 2.889,370 5.569,371 3.584,372 2.63,373 3.153,374 0.8,375 7.635,376 2.499,377 3.718,378 2.567,379 5.429,380 3.378,381 2.423,382 2.986,383 0.8,384 7.061,385 2.309,386 3.522,387 2.49,388 5.299,389 3.185,390 2.236,391 2.729,392 0.4,393 6.758,394 2.114,395 3.31,396 2.325,397 5.086,398 2.923,399 1.943,400 2.496,401 0.247,402 5.839,403 1.893,404 3.158,405 2.276,406 5.086,407 2.851,408 1.924,409 2.302,411 5.839,412 1.822,413 2.945,414 2.016,415 5.066,416 2.851,417 1.879,418 2.001,420 5.786,421 1.822,422 2.879,423 2.016,424 4.683,425 2.839,426 1.879,427 1.879,428 5.123,429 1.759,430 2.879,431 2.013,432 4.414,433 2.699,434 1.732,435 1.879,436 4.399,437 1.667,438 2.765,439 1.933,440 4.294,441 2.29,442 1.373,443 1.867,445 3.863,446 1.261,447 2.5,448 1.737,449 3.899,450 2.167,451 1.293,452 1.5,454 2.894,455 1.12,456 2.5,457 1.45,458 3.809,459 2.166,460 1.272,461 1.5,463 2.845,464 1.12,465 20.6,466 0.468,467 0.927,468 0.021,469 54,470 1.227,471 22,472 0.5,473 32,474 0.727,475 45.284,476 1.029,477 48.4,478 0.583,479 44.426,480 1.01,481 9.966,482 0.227,483 11.709,484 0.266,485 0.016,487 0.35,493 0.892,494 1.588,495 0.794,496 1.222,497 0.637,498 1.02,499 1.065,500 1.112,501 0.977,502 1.022,503 0.658,504 0.997,505 1.054,506 1.075,507 1.02,508 0.985,509 0.834,510 0.986,511 0.973,512 1.156,513 0.956,514 1.039,515 0.885,516 1.001,517 1.097,518 0.861,519 0.928,520 0.72,521 1.476,522 0.765,523 1.057,524 1.265,525 0.997,526 1.077,527 1.219,528 1.025,529 0.972,530 0.843,531 1.127,532 0.896,533 0.798,534 0.99,535 0.487,536 1.14,537 1.072,538 1.44,539 0.607,540 1.376,541 7.5,542 0.155,543 4.444,544 2.625,545 1.211,546 1.472,547 1.123,548 0.656,549 0.331,550 0.445,551 41745,552 90759,553 2.261,554 47,556 28,559 3,561 8,564 1.82,565 2.2,566 3.896,567 0.741,573 129.713,574 1.563,575 3.488,576 4.405,577 4.694,578 4.833,579 4.857,580 3.283,581 4.232,582 5.428,583 4.212,584 3984.43,585 9.598,586 76642.9,591 529.128,592 1.068,593 5.424,594 0.147,595 0.004,596 0.061,597 0.035,598 0.018,599 0.022,600 0.016,601 0.009,602 0.005,603 0.009,604 0.326,605 0.17,606 0.63,607 0.248,608 258.404,609 -0.045,610 -0.308,611 0.089,612 -0.107,613 0.006,614 -0.004,615 0.054,616 0.054,617 -0.019,618 -0.007,619 0.107,620 -0.033,621 -0.079,622 -0.023,623 -0.042,624 -0.004,625 -0.019,626 -0.012,627 -0.034,628 -0.166,629 0.032,630 -0.064,631 0.037,632 -0.018,633 -0.034,634 0.181,635 0.08,636 0.203,637 -0.057,638 0.174,639 -0.107,640 -0.136,641 -0.043,642 -0.073,643 -0.11,644 -0.051,645 -0.064,646 0.318,647 -0.18,648 0.1,649 -0.076,650 -0.023,651 0.152,652 -0.088,653 -0.174,654 -0.31,655 0.111,656 -0.301,657 1.956,658 5.792,659 0.909,660 61.862,661 1.002,662 1.137,663 3.217,664 10.351,665 0.649,666 3.951,667 4.304,668 4.635,669 4.963,670 5.209,671 5.347,672 5.533,673 5.733,674 5.911,675 6.098,676 9.929,677 0.617,678 597.8,679 3.951,680 5.517,681 6.395,682 7.292,683 8.182,684 9.084,685 9.98,686 10.886,687 11.786,688 12.696,689 10.8,691 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 83,733 19,734 2,735 51,737 90,738 32,739 15,740 4,741 8,746 8,747 10,751 1,755 8,758 8,761 16,762 16,766 1,771 1,775 1,781 39,782 12,783 3,784 12,790 9,794 0.75,795 3,808 2,811 2,812 6,813 2,835 1,839 2,840 6,848 44,854 12,855 3,856 2,858 4,859 3,870 3.6,873 1,874 2,877 20,878 14.45,879 9.389,880 5.299,881 3.371,882 1.355,883 1.015,884 7.926,885 12.858,886 4.127,887 4.659,888 5.183,889 5.743,890 6.273,891 6.559,892 7.004,893 7.408,894 7.733,895 8.115,896 0.909,897 74,898 16.4,900 7.243,901 7.527,902 32.313,904 28.267,905 2.027,906 89.167,910 423.76,911 134.598,912 113.762,914 47.145,917 134.598,918 470.904,919 113.762,921 72.952,922 93.821,923 97.501,924 23.157,925 8.074,926 423.76,928 423.76,929 248.36,930 47.145,933 331.919,934 119.314,935 22,937 94.761,938 100.915,939 50.357,941 423.76,942 160.906,943 134.598,946 423.76,947 58.788,948 85.183,949 54.032,950 97.501,951 423.76,952 160.906,953 134.598,955 0.585,956 0.348,957 0.199,958 0.106,959 39,960 15,961 0.067,962 6,963 4,964 1.15,965 5.485,966 482.193,967 0.2,968 38,969 196.215,974 28.315,975 12.316,976 5.84,978 160.906,979 15.694,980 15.073,984 5.591,986 54.032,987 719.264,988 61,993 12.792,997 -0.289,999 83.152,1000 94.341,1001 0.245,1002 0.547,1003 0.691,1004 0.736,1005 0.758,1006 0.762,1007 5.409,1008 1.943,1009 6.375,1010 6.758,1011 4.99,1012 5.347,1013 2.481,1014 7.207,1015 4.879,1016 6.566,1017 1.924,1018 7.937,1019 5.839,1020 4.511,1021 5.007,1022 1.494,1023 8.12,1024 4.348,1025 7.853,1026 1.879,1027 9.598,1028 5.839,1029 6.6,1030 7.379,1031 2.695,1032 11.256,1033 6.374,1034 9.168,1035 1.879,1036 11.321,1037 5.786,1038 6.976,1039 7.852,1040 2.41,1041 13.049,1042 6.686,1043 10.518,1044 1.732,1045 13.084,1046 5.123,1047 8.497,1048 9.71,1049 3.334,1050 15.688,1051 8.147,1052 11.889,1053 1.373,1054 14.877,1055 4.399,1056 9.28,1057 10.568,1058 3.427,1059 17.848,1060 8.857,1061 13.278,1062 1.293,1063 16.692,1064 3.863,1065 10.568,1066 12.2,1067 4.182,1068 20.328,1069 10.085,1070 3.259,1071 1.272,1072 18.524,1073 2.894,1074 11.546,1075 13.266,1076 4.469,1077 22.638,1078 10.985,1079 3.133,1080 11.434,1081 20.37,1082 2.845,1083 12.74,1084 14.783,1085 5.119,1086 25.069,1087 12.115,1088 2.879,1089 11.103,1090 22.227,1091 4.064,1092 13.809,1093 15.97,1094 5.505,1095 27.442,1096 13.105,1097 2.857,1098 9.179,1099 24.093,1100 3.703,1101 14.969,1102 17.424,1103 6.093,1104 29.86,1105 14.197,1106 2.63,1107 9.057,1108 25.966,1109 3.621,1110 16.081,1111 18.686,1112 6.531,1113 32.259,1114 15.23,1115 2.423,1116 7.635,1117 27.846,1118 3.257,1119 17.231,1120 20.106,1121 7.084,1122 34.676,1123 16.308,1124 2.236,1125 7.061,1126 29.732,1127 3.153,1128 18.364,1129 21.414,1130 7.551,1131 37.087,1132 17.363,1133 36835,1134 54534,1135 35.887,1136 53.836,1137 77.688,1138 78.673,1139 78.418,1140 77.246,1141 77.239,1142 91.472,1143 12.846,1144 225.975,1145 73.02,1146 5.458,1147 5.562,1148 6.655,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 9.163,1156 1.523,1157 1.543,1158 1.538,1159 1.515,1160 1.514,1161 1.794,1162 0.252,1163 4.431,1164 1.432,1165 4.067,1166 4.118,1167 4.014,1168 3.924,1169 7.431,1170 3.936,1171 3.954,1172 4.001,1173 3.892,1174 3.844,1175 5.079,1176 3.848,1177 3.914,1178 3.965,1179 3.826,1180 3.789,1181 4.767,1182 3.794,1183 3.897,1184 3.934,1185 3.814,1186 3.754,1187 4.701,1188 3.76,1189 3.717,1190 3.786,1191 3.605,1192 3.524,1193 4.639,1194 3.531,1195 3.611,1196 3.669,1197 3.555,1198 3.394,1199 4.609,1200 3.433,1201 3.386,1202 3.433,1203 3.331,1204 3.107,1205 4.37,1206 3.161,1207 3.144,1208 3.206,1209 2.957,1210 2.951,1211 4.088,1212 2.926,1213 0.087,1214 0.07,1215 0.134,1216 0.082,1217 0.064,1218 4.458,1219 0.08,1220 3.562,1221 0.032,1222 6.853,1223 0.224,1224 4.184,1225 0.059,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.935,1232 1.903,1233 2.044,1234 2.073,1235 1.275,1236 2.063,1237 1.912,1238 1.878,1239 2.014,1240 2.054,1241 1.255,1242 2.04,1243 1.737,1244 1.685,1245 1.89,1246 1.949,1247 1.255,1248 1.933,1249 1.679,1250 1.607,1251 1.874,1252 1.886,1253 1.208,1254 1.886,1255 1.648,1256 1.599,1257 1.86,1258 1.88,1259 1.187,1260 1.872,1261 1.604,1262 1.543,1263 1.86,1264 1.76,1265 1.1,1266 1.798,1267 1.604,1268 1.543,1269 1.839,1270 1.76,1271 1.037,1272 1.798,1273 1.436,1274 1.386,1275 1.532,1276 1.694,1277 0.825,1278 1.656,1279 4.635,1281 5.979,1282 3.045,1283 7.519,1284 5.533,1285 9.147,1286 7.678,1287 10.821,1295 11.129,1296 9.256,1297 11.686,1299 1.173,1300 7.06,1305 51.239,1306 129.713,1307 289.503,1308 365.618,1309 389.618,1310 401.128,1311 403.128,1312 65.82,1313 9.487,1314 120.01,1315 120.01,1316 46,1317 13.213,1318 4.322,1319 3.459,1320 55.952,1321 261,1322 306,1323 0.1,1324 302.442,1325 529.55,1326 729.718,1327 224039,1329 29.459,1330 0.67,1331 0.564,1332 29.459,1333 24.822,1334 21.675,1335 0.425,1336 0.312,1337 15.63,1338 20.681,1339 15.437,1340 12.575,1341 21.675,1342 15.902,1343 19.735,1344 0.27,1345 0.169,1346 19.735,1347 12.359,1348 17.436,1349 0.171,1350 0.094,1351 17.436,1352 9.563,1353 15.666,1354 0.11,1355 0.051,1356 15.666,1357 7.299,1358 12.879,1359 0.071,1360 0.027,1361 12.879,1362 4.96,1363 0.163,1364 136.743,1365 0.167,1366 39.298,1367 0.262,1368 248,1369 654.076,1370 276.758,1371 621.278,1372 871.81,1373 590,1374 299,1375 658.853,1376 329.397,1377 659.261,1378 983.54,1379 624,1380 6.024}
{0 CHEMBL1092392,1 1.537,2 18.5,3 4.068,4 16.549,5 176.503,6 7.032,7 0.34,8 4.605,9 4.737,10 4.143,11 4.079,12 5.564,13 4.068,14 5.228,15 5.421,16 4.537,17 4.53,18 6.161,19 4.492,20 5.518,21 5.75,22 4.575,23 4.721,24 6.36,25 4.633,26 5.586,27 5.86,28 4.479,29 4.655,30 6.432,31 4.54,32 5.438,33 5.713,34 4.482,35 4.547,36 6.398,37 4.481,38 5.268,39 5.463,40 4.517,41 4.579,42 6.228,43 4.523,44 5.417,45 5.644,46 4.539,47 4.696,48 6.291,49 4.614,50 5.521,51 5.73,52 4.537,53 4.812,54 6.398,55 4.684,56 0.025,57 1.418,58 20.415,59 7.632,60 9.583,61 11.073,62 0.68,63 2.363,64 41.624,65 13.263,66 48.726,67 19.471,68 0.65,69 2.91,70 56.84,71 17.806,72 50.322,73 27.268,74 0.652,75 2.876,76 62.989,77 18.885,78 68.711,79 29.76,80 0.937,81 2.561,82 55.046,83 14.027,84 94.497,85 23.194,86 0.386,87 2.472,88 42.59,89 14.063,90 45.167,91 21.034,92 0.707,93 2.725,94 50.775,95 16.41,96 52.974,97 24.953,98 0.514,99 2.923,100 54.915,101 22.65,102 68.454,103 31.688,104 5,105 76,106 0.228,107 0.52,108 0.681,109 0.714,110 0.737,111 0.741,112 3.853,113 0.946,114 -4.82,115 -4.73,116 -4.44,119 38.2,121 4,124 1,125 9,127 4,142 8,143 2,144 2,149 1,150 2,159 1,172 10,174 7,175 7,178 2,179 1,180 4,183 8,186 3,187 10,192 4,195 4,198 3,199 21,204 6,211 4,212 11,217 4,224 18,227 3,229 2,232 8,236 4,237 4,245 16,249 3,250 4,253 6,258 20,263 8,266 1,271 4,275 5128,276 31.875,277 31.875,278 31.875,279 31.875,280 31.875,281 29.689,282 51.612,283 18.619,284 32.8,285 26.25,286 26.25,287 26.25,288 26.25,289 26.25,290 22.852,291 81.702,292 8.941,293 27.793,294 4.939,295 2.98,296 1.896,297 1.671,298 1.514,299 1.492,300 4.585,306 1958,307 3.674,310 237.012,311 974.71,312 324.204,318 3,319 38.897,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 99.5,331 851,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.661,347 0.916,348 11.103,349 2.926,350 4.152,351 3.403,352 6.17,353 3.831,354 2.862,355 3.617,356 0.86,357 9.179,358 2.775,359 4.075,360 3.05,361 5.653,362 3.726,363 2.76,364 3.257,365 0.86,366 7.885,367 2.674,368 3.86,369 2.889,370 5.543,371 3.576,372 2.632,373 3.142,374 0.8,375 7.566,376 2.485,377 3.689,378 2.723,379 5.429,380 3.444,381 2.491,382 2.914,383 0.8,384 7.081,385 2.359,386 3.556,387 2.557,388 5.32,389 3.266,390 2.314,391 2.719,392 0.8,393 6.803,394 2.197,395 3.441,396 2.471,397 5.107,398 3.142,399 2.196,400 2.564,401 0.247,402 6.296,403 2.075,404 3.251,405 2.327,406 5.086,407 2.911,408 1.964,409 2.416,410 0.172,411 5.839,412 1.857,413 3.158,414 2.276,415 5.086,416 2.851,417 1.924,418 2.302,420 5.839,421 1.822,422 2.978,423 2.146,424 5.066,425 2.851,426 1.879,427 2,428 5.786,429 1.822,430 2.879,431 2.016,432 4.808,433 2.839,434 1.879,435 1.879,436 5.457,437 1.759,438 2.879,439 2.016,440 4.609,441 2.739,442 1.762,443 1.879,445 4.896,446 1.699,447 2.765,448 1.933,449 4.299,450 2.288,451 1.372,452 1.869,454 3.869,455 1.26,456 2.5,457 1.737,458 3.899,459 2.167,460 1.293,461 1.5,463 2.894,464 1.12,465 21.6,466 0.47,467 1.05,468 0.023,469 54.75,470 1.19,471 21.5,472 0.467,473 33.25,474 0.723,475 49.2,476 1.07,477 51,478 0.573,479 46.086,480 1.002,481 10.191,482 0.222,483 12.361,484 0.269,485 0.039,487 0.352,493 0.876,494 1.637,495 0.813,496 1.265,497 0.633,498 1.06,499 1.121,500 1.042,501 0.983,502 0.955,503 0.652,504 0.951,505 1.037,506 1.157,507 1.073,508 1.089,509 0.843,510 1.08,511 0.912,512 1.137,513 0.915,514 1.018,515 0.829,516 0.974,517 1.151,518 0.771,519 0.876,520 0.601,521 1.442,522 0.659,523 1.042,524 1.293,525 1.061,526 1.162,527 1.27,528 1.114,529 0.91,530 0.901,531 1.06,532 0.927,533 0.753,534 0.982,535 0.548,536 1.126,537 1.112,538 1.401,539 0.744,540 1.362,541 9,542 0.168,543 4.444,544 2.688,545 1.642,546 1.347,547 1.245,548 0.72,549 0.372,550 0.462,551 48019,552 100637,553 2.235,554 48.3,556 33,559 2,561 8,564 1.829,565 2.156,566 4.002,567 0.127,573 136.753,574 1.537,575 3.496,576 4.58,577 4.804,578 4.962,579 4.984,580 3.433,581 4.333,582 5.491,583 4.326,584 4477.83,585 9.718,586 90626.4,591 576.34,592 1.163,593 5.482,594 0.17,595 0.004,596 0.058,597 0.035,598 0.025,599 0.019,600 0.017,601 0.009,602 0.005,603 0.009,604 0.352,605 0.17,606 0.63,607 0.317,608 275.22,609 -0.021,610 -0.345,611 0.096,612 -0.13,613 0.014,614 -0.019,615 0.042,616 0.13,617 -0.001,618 0.056,619 0.115,620 0.018,621 -0.072,622 -0.082,623 -0.099,624 -0.086,625 -0.025,626 -0.094,627 0.004,628 -0.175,629 0.077,630 -0.051,631 0.071,632 0.009,633 -0.048,634 0.254,635 0.148,636 0.301,637 -0.027,638 0.271,639 -0.095,640 -0.119,641 -0.108,642 -0.122,643 -0.13,644 -0.119,645 -0.054,646 0.224,647 -0.102,648 0.087,649 -0.053,650 0.01,651 0.14,652 -0.062,653 -0.197,654 -0.279,655 0.077,656 -0.292,657 1.949,658 5.844,659 0.87,660 69.694,661 0.999,662 1.137,663 3.586,664 12.859,665 0.644,666 3.989,667 4.344,668 4.654,669 4.977,670 5.231,671 5.357,672 5.541,673 5.746,674 5.927,675 6.116,676 10.658,677 0.61,678 625.86,679 3.989,680 5.557,681 6.428,682 7.323,683 8.207,684 9.107,685 9.998,686 10.902,687 11.798,688 12.705,689 10.1,692 2,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 89,733 19,734 2,735 53,737 96,738 34,739 15,740 4,741 8,746 8,747 10,751 1,755 8,758 8,761 16,762 18,766 1,771 1,775 1,781 43,782 12,783 2,784 12,790 9,794 0.75,795 3,808 2,811 2,812 6,813 2,836 2,839 2,840 6,844 1,848 46,854 13,855 2,856 2,858 4,859 4,870 3.4,873 1,874 2,877 21.333,878 15.9,879 9.778,880 5.624,881 3.405,882 1.355,883 1.003,884 8.627,885 13.005,886 4.159,887 4.687,888 5.189,889 5.742,890 6.272,891 6.543,892 6.991,893 7.405,894 7.74,895 8.123,896 0.917,897 76,898 17.153,900 7.524,901 7.504,902 33.912,904 29.551,905 2.004,906 92.167,910 482.615,911 145.529,912 98.875,914 47.145,917 145.529,918 529.76,919 98.875,920 8.396,921 75.058,922 75.81,923 97.501,924 26.71,925 8.074,926 482.615,928 482.615,929 244.404,930 47.145,933 390.774,934 119.314,935 22,937 85.105,938 106.615,939 50.357,941 482.615,942 146.02,943 145.529,946 482.615,947 61.323,948 96.704,949 36.022,950 97.501,951 482.615,952 146.02,953 145.529,955 0.588,956 0.343,957 0.193,958 0.106,959 40,960 16,961 0.073,962 7,963 4,964 1.15,965 5.657,966 504.704,967 0.2,968 38,969 210.084,974 30.183,975 13.148,976 6.532,978 146.02,979 15.828,980 15.096,984 5.696,986 36.022,987 774.164,988 63,993 12.844,997 -0.283,999 88.919,1000 101.171,1001 0.237,1002 0.54,1003 0.707,1004 0.742,1005 0.766,1006 0.77,1007 5.445,1008 2.196,1009 6.412,1010 6.803,1011 5.03,1012 5.375,1013 2.576,1014 7.233,1015 4.92,1016 6.602,1017 1.964,1018 7.969,1019 6.296,1020 4.575,1021 5.047,1022 1.577,1023 8.12,1024 4.411,1025 7.887,1026 1.924,1027 9.621,1028 5.839,1029 6.635,1030 7.392,1031 2.755,1032 11.244,1033 6.412,1034 9.197,1035 1.879,1036 11.332,1037 5.839,1038 7.004,1039 7.855,1040 2.453,1041 13.01,1042 6.717,1043 10.539,1044 1.879,1045 13.083,1046 5.786,1047 8.513,1048 9.705,1049 3.359,1050 15.65,1051 8.169,1052 11.903,1053 1.762,1054 14.864,1055 5.457,1056 9.282,1057 10.551,1058 3.442,1059 17.801,1060 8.866,1061 13.284,1062 1.372,1063 16.667,1064 4.896,1065 10.564,1066 12.183,1067 4.19,1068 20.285,1069 10.089,1070 3.259,1071 1.293,1072 18.49,1073 3.869,1074 11.531,1075 13.239,1076 4.474,1077 22.597,1078 10.979,1079 3.133,1080 11.434,1081 20.328,1082 2.894,1083 12.722,1084 14.758,1085 5.121,1086 25.033,1087 12.106,1088 2.862,1089 11.103,1090 22.179,1091 4.064,1092 13.784,1093 15.939,1094 5.506,1095 27.41,1096 13.089,1097 2.76,1098 9.179,1099 24.041,1100 3.661,1101 14.943,1102 17.395,1103 6.094,1104 29.833,1105 14.179,1106 2.632,1107 7.885,1108 25.913,1109 3.617,1110 16.051,1111 18.654,1112 6.532,1113 32.236,1114 15.209,1115 2.491,1116 7.566,1117 27.792,1118 3.257,1119 17.201,1120 20.075,1121 7.084,1122 34.657,1123 16.286,1124 2.314,1125 7.081,1126 29.677,1127 3.142,1128 18.333,1129 21.382,1130 7.551,1131 37.072,1132 17.338,1133 42665,1134 62047,1135 36.986,1136 57.359,1137 80.634,1138 81.37,1139 81.558,1140 80.129,1141 80.077,1142 94.31,1143 14.224,1144 234.174,1145 75.711,1146 5.458,1147 5.562,1148 6.367,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 14.144,1156 1.521,1157 1.535,1158 1.539,1159 1.512,1160 1.511,1161 1.779,1162 0.268,1163 4.418,1164 1.429,1165 4.068,1166 4.119,1167 4.015,1168 3.928,1169 7.431,1170 3.939,1171 3.953,1172 3.999,1173 3.887,1174 3.854,1175 5.08,1176 3.855,1177 3.914,1178 3.965,1179 3.826,1180 3.789,1181 4.757,1182 3.794,1183 3.897,1184 3.935,1185 3.814,1186 3.754,1187 4.7,1188 3.76,1189 3.791,1190 3.858,1191 3.679,1192 3.599,1193 4.639,1194 3.608,1195 3.615,1196 3.673,1197 3.567,1198 3.395,1199 4.609,1200 3.435,1201 3.423,1202 3.48,1203 3.362,1204 3.17,1205 4.384,1206 3.208,1207 3.254,1208 3.34,1209 3.109,1210 2.997,1211 4.088,1212 3.017,1213 0.084,1214 0.067,1215 0.129,1216 0.079,1217 0.061,1218 4.458,1219 0.077,1220 3.562,1221 0.031,1222 6.853,1223 0.216,1224 4.184,1225 0.057,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.938,1232 1.907,1233 2.057,1234 2.072,1235 1.322,1236 2.066,1237 1.918,1238 1.886,1239 2.015,1240 2.055,1241 1.255,1242 2.042,1243 1.751,1244 1.686,1245 1.95,1246 1.966,1247 1.255,1248 1.959,1249 1.735,1250 1.676,1251 1.875,1252 1.926,1253 1.208,1254 1.924,1255 1.648,1256 1.599,1257 1.86,1258 1.886,1259 1.187,1260 1.872,1261 1.604,1262 1.543,1263 1.86,1264 1.76,1265 1.127,1266 1.798,1267 1.604,1268 1.543,1269 1.839,1270 1.76,1271 1.097,1272 1.798,1273 1.439,1274 1.388,1275 1.584,1276 1.699,1277 0.825,1278 1.662,1279 4.673,1281 6.019,1282 3.045,1283 7.553,1284 5.533,1285 9.174,1286 7.678,1287 10.841,1289 2.169,1295 12.479,1296 5.914,1297 11.7,1299 1.172,1300 9.551,1305 54.293,1306 136.753,1307 311.12,1308 407.585,1309 427.585,1310 441.585,1311 443.585,1312 70.764,1313 9.6,1314 111.22,1315 111.22,1316 46,1317 13.225,1318 4.322,1319 3.459,1320 59.791,1321 294,1322 360,1323 0.095,1324 321.626,1325 564.15,1326 776.528,1327 263929,1329 31.037,1330 0.675,1331 0.576,1332 31.037,1333 26.476,1334 22.552,1335 0.426,1336 0.315,1337 16.433,1338 21.521,1339 16.142,1340 13.192,1341 22.552,1342 16.721,1343 20.805,1344 0.274,1345 0.176,1346 20.805,1347 13.351,1348 17.997,1349 0.173,1350 0.098,1351 17.997,1352 10.169,1353 15.905,1354 0.11,1355 0.053,1356 15.905,1357 7.578,1358 13.299,1359 0.071,1360 0.029,1361 13.299,1362 5.346,1363 0.156,1364 142.24,1365 0.164,1366 40.925,1367 0.245,1368 258,1369 669.388,1370 286.786,1371 636.955,1372 889.17,1373 604,1374 309,1375 665.782,1376 340.064,1377 670.427,1378 996.43,1379 631,1380 5.948}
{0 CHEMBL1092393,1 1.55,2 16.167,3 4.111,4 16.899,5 160.453,6 7.135,7 0.375,8 4.497,9 4.627,10 4.044,11 3.976,12 5.491,13 3.968,14 5.105,15 5.294,16 4.437,17 4.417,18 6.073,19 4.383,20 5.378,21 5.6,22 4.478,23 4.595,24 6.264,25 4.516,26 5.453,27 5.727,28 4.404,29 4.519,30 6.344,31 4.423,32 5.266,33 5.513,34 4.401,35 4.424,36 6.312,37 4.377,38 5.182,39 5.386,40 4.421,41 4.464,42 6.15,43 4.412,44 5.276,45 5.491,46 4.453,47 4.579,48 6.181,49 4.51,50 5.42,51 5.62,52 4.464,53 4.731,54 6.318,55 4.607,56 0.023,57 1.264,58 17.905,59 6.868,60 10.218,61 9.763,62 0.63,63 2.088,64 36.337,65 12.004,66 47.416,67 17.141,68 0.53,69 2.558,70 48.7,71 15.573,72 48.713,73 23.47,74 0.641,75 2.546,76 55.458,77 16.039,78 68.501,79 25.289,80 0.808,81 2.263,82 45.245,83 11.487,84 89.056,85 18.628,86 0.402,87 2.234,88 39.129,89 12.499,90 45.242,91 18.703,92 0.659,93 2.414,94 43.402,95 13.955,96 48.042,97 20.953,98 0.484,99 2.669,100 48.859,101 20.662,102 65.867,103 28.467,104 12,105 69,106 0.235,107 0.532,108 0.676,109 0.707,110 0.718,111 0.722,112 3.765,113 0.931,114 -4.98,115 -4.88,116 -4.57,119 38.8,121 4,124 2,125 5,127 4,142 8,143 2,144 2,149 1,150 2,159 1,172 10,174 7,175 7,178 2,179 1,180 4,183 8,186 2,187 10,192 4,195 4,198 3,199 21,204 6,211 4,212 10,217 4,224 16,227 3,229 2,232 8,236 4,237 2,245 16,249 3,250 4,253 6,258 20,263 8,271 4,275 4068,276 28.858,277 28.858,278 28.858,279 28.858,280 28.858,281 26.672,282 46.022,283 16.87,284 29.664,285 23.784,286 23.784,287 23.784,288 23.784,289 23.784,290 20.386,291 72.952,292 8.084,293 25.139,294 4.772,295 2.817,296 1.869,297 1.669,298 1.594,299 1.569,300 4.489,306 1542,307 3.937,310 209.001,311 703.366,312 285.868,318 2.54,319 36.28,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 91,331 679,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.66,347 0.916,348 11.103,349 2.926,350 4.152,351 3.403,352 6.17,353 3.831,354 2.862,355 3.616,356 0.86,357 9.179,358 2.775,359 4.071,360 2.919,361 5.613,362 3.703,363 2.729,364 3.257,365 0.86,366 7.761,367 2.66,368 3.856,369 2.888,370 5.477,371 3.525,372 2.563,373 3.142,374 0.8,375 7.336,376 2.459,377 3.648,378 2.564,379 5.398,380 3.323,381 2.37,382 2.901,383 0.8,384 6.942,385 2.255,386 3.49,387 2.489,388 5.23,389 3.168,390 2.222,391 2.709,392 0.247,393 6.633,394 2.096,395 3.28,396 2.326,397 5.086,398 2.914,399 1.952,400 2.46,401 0.172,402 5.839,403 1.871,404 3.158,405 2.276,406 5.086,407 2.851,408 1.924,409 2.302,411 5.839,412 1.822,413 2.963,414 2.087,415 5.066,416 2.851,417 1.879,418 2,420 5.786,421 1.822,422 2.879,423 2.016,424 4.651,425 2.839,426 1.879,427 1.879,428 5.041,429 1.759,430 2.879,431 2.016,432 4.384,433 2.702,434 1.732,435 1.879,436 4.439,437 1.663,438 2.765,439 1.933,440 4.295,441 2.288,442 1.371,443 1.868,445 3.866,446 1.26,447 2.5,448 1.737,449 3.899,450 2.167,451 1.293,452 1.5,454 2.894,455 1.12,456 2.5,457 1.386,458 3.809,459 2.166,460 1.27,461 1.5,463 2.845,464 1.12,465 19.7,466 0.469,467 1.02,468 0.024,469 51.5,470 1.226,471 21.5,472 0.512,473 30,474 0.714,475 42.794,476 1.019,477 46.3,478 0.579,479 42.968,480 1.023,481 9.658,482 0.23,483 10.838,484 0.258,485 0.068,487 0.365,493 0.869,494 1.596,495 0.802,496 1.245,497 0.65,498 1.043,499 1.073,500 0.991,501 0.945,502 0.93,503 0.646,504 0.924,505 1.027,506 1.236,507 1.064,508 1.132,509 0.875,510 1.103,511 0.968,512 1.091,513 0.87,514 0.925,515 0.849,516 0.886,517 1.245,518 0.9,519 0.99,520 0.709,521 1.595,522 0.768,523 1.056,524 1.234,525 1.024,526 1.084,527 1.254,528 1.045,529 0.95,530 0.884,531 1.084,532 0.906,533 0.759,534 0.975,535 0.551,536 1.106,537 1.138,538 1.417,539 0.737,540 1.389,541 8.5,542 0.156,543 4,544 2.688,545 1.46,546 1.395,547 1.165,548 0.609,549 0.372,550 0.401,551 34392,552 76156,553 2.2,554 47.5,556 28,559 2,561 8,564 1.81,565 2.1,566 3.822,567 0.149,573 123.998,574 1.55,575 3.505,576 4.453,577 4.653,578 4.728,579 4.753,580 3.287,581 4.107,582 5.358,583 4.143,584 3566.77,585 9.469,586 65591.9,591 505.754,592 1.264,593 5.342,594 0.177,595 0.004,596 0.058,597 0.039,598 0.023,599 0.021,600 0.017,601 0.009,602 0.006,603 0.009,604 0.363,605 0.17,606 0.63,607 0.657,608 242.57,609 -0.029,610 -0.322,611 0.089,612 -0.124,613 -0.007,614 -0.018,615 0.072,616 0.167,617 0.025,618 0.08,619 0.122,620 0.04,621 -0.07,622 -0.16,623 -0.099,624 -0.126,625 -0.043,626 -0.118,627 -0.007,628 -0.128,629 0.133,630 0.022,631 0.071,632 0.085,633 -0.091,634 0.19,635 0.026,636 0.195,637 -0.1,638 0.149,639 -0.095,640 -0.087,641 -0.069,642 -0.078,643 -0.135,644 -0.071,645 -0.073,646 0.265,647 -0.135,648 0.097,649 -0.063,650 0.002,651 0.137,652 -0.039,653 -0.234,654 -0.298,655 0.071,656 -0.325,657 1.96,658 5.679,659 0.81,660 57.85,661 1.001,662 1.136,663 3.746,664 14.036,665 0.648,666 3.892,667 4.248,668 4.554,669 4.89,670 5.13,671 5.278,672 5.468,673 5.666,674 5.849,675 6.033,676 9.44,677 0.615,678 570.77,679 3.892,680 5.46,681 6.33,682 7.229,683 8.114,684 9.019,685 9.912,686 10.821,687 11.72,688 12.632,689 10,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 80,733 19,734 2,735 48,737 86,738 31,739 15,740 4,741 8,746 7,747 9,751 1,755 8,758 8,761 16,762 15,766 1,771 1,775 1,781 38,782 11,783 2,784 11,790 8,794 0.714,795 3,808 2,811 2,812 5,813 2,836 1,839 2,840 5,844 2,848 42,854 9,855 2,856 2,858 4,859 3,870 3.8,873 1,874 2,877 20,878 14.7,879 8.944,880 4.924,881 3.235,882 1.353,883 0.994,884 7.822,885 12.399,886 4.078,887 4.62,888 5.131,889 5.703,890 6.234,891 6.51,892 6.957,893 7.36,894 7.689,895 8.073,896 1,897 69,898 15.631,900 6.819,901 7.552,902 30.646,904 26.408,905 2.052,906 86.167,910 423.76,911 145.503,912 95.751,914 47.145,917 145.503,918 470.904,919 95.751,920 16.793,921 66.635,922 75.81,923 97.501,924 23.586,925 8.074,926 423.76,928 423.76,929 241.254,930 47.145,933 331.919,934 119.314,935 22,937 73.557,938 115.012,939 50.357,941 423.76,942 142.896,943 145.503,946 423.76,947 52.9,948 101.976,949 36.022,950 97.501,951 423.76,952 142.896,953 145.503,955 0.587,956 0.338,957 0.194,958 0.104,959 36,960 15,961 0.081,962 7,963 4,964 1.176,965 5.232,966 448.278,967 0.235,968 32,969 184.477,974 27.688,975 11.865,976 5.905,978 142.896,979 15.549,980 15.04,984 5.598,986 36.022,987 712.158,988 58,993 12.679,997 -0.293,999 80.05,1000 90.843,1001 0.245,1002 0.554,1003 0.704,1004 0.736,1005 0.748,1006 0.752,1007 5.359,1008 1.952,1009 6.319,1010 6.633,1011 4.934,1012 5.308,1013 2.5,1014 7.149,1015 4.828,1016 6.528,1017 1.924,1018 7.881,1019 5.839,1020 4.511,1021 5.007,1022 1.494,1023 8.059,1024 4.356,1025 7.817,1026 1.879,1027 9.54,1028 5.839,1029 6.544,1030 7.351,1031 2.725,1032 11.187,1033 6.329,1034 9.133,1035 1.879,1036 11.258,1037 5.786,1038 6.938,1039 7.828,1040 2.426,1041 12.973,1042 6.663,1043 10.482,1044 1.732,1045 13.017,1046 5.041,1047 8.434,1048 9.682,1049 3.349,1050 15.618,1051 8.102,1052 11.851,1053 1.371,1054 14.805,1055 4.439,1056 9.224,1057 10.535,1058 3.436,1059 17.782,1060 8.819,1061 13.237,1062 1.293,1063 16.616,1064 3.866,1065 10.502,1066 12.171,1067 4.188,1068 20.269,1069 10.037,1070 3.259,1071 1.27,1072 18.445,1073 2.894,1074 11.483,1075 13.231,1076 4.472,1077 22.587,1078 10.94,1079 3.133,1080 11.434,1081 20.29,1082 2.845,1083 12.674,1084 14.751,1085 5.121,1086 25.025,1087 12.067,1088 2.862,1089 11.103,1090 22.147,1091 4.064,1092 13.746,1093 15.935,1094 5.506,1095 27.405,1096 13.059,1097 2.729,1098 9.179,1099 24.014,1100 3.66,1101 14.907,1102 17.392,1103 6.094,1104 29.829,1105 14.15,1106 2.563,1107 7.761,1108 25.89,1109 3.616,1110 16.022,1111 18.651,1112 6.532,1113 32.234,1114 15.185,1115 2.37,1116 7.336,1117 27.773,1118 3.257,1119 17.175,1120 20.073,1121 7.084,1122 34.655,1123 16.264,1124 2.222,1125 6.942,1126 29.661,1127 3.142,1128 18.311,1129 21.38,1130 7.551,1131 37.07,1132 17.319,1133 31200,1134 46620,1135 33.115,1136 51.83,1137 73.322,1138 74.052,1139 74.352,1140 72.652,1141 72.626,1142 86.851,1143 12.624,1144 213.102,1145 68.763,1146 5.458,1147 5.562,1148 6.367,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 16.512,1156 1.528,1157 1.543,1158 1.549,1159 1.514,1160 1.513,1161 1.809,1162 0.263,1163 4.44,1164 1.433,1165 4.064,1166 4.114,1167 4.012,1168 3.924,1169 7.431,1170 3.935,1171 3.941,1172 3.98,1173 3.878,1174 3.85,1175 5.079,1176 3.85,1177 3.914,1178 3.965,1179 3.823,1180 3.789,1181 4.757,1182 3.793,1183 3.893,1184 3.928,1185 3.814,1186 3.754,1187 4.7,1188 3.76,1189 3.621,1190 3.685,1191 3.569,1192 3.397,1193 4.639,1194 3.437,1195 3.564,1196 3.645,1197 3.443,1198 3.331,1199 4.609,1200 3.344,1201 3.375,1202 3.425,1203 3.294,1204 3.099,1205 4.285,1206 3.145,1207 3.144,1208 3.206,1209 2.957,1210 2.951,1211 4.088,1212 2.926,1213 0.093,1214 0.074,1215 0.143,1216 0.087,1217 0.068,1218 4.458,1219 0.085,1220 3.562,1221 0.035,1222 6.853,1223 0.238,1224 4.184,1225 0.063,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.935,1232 1.905,1233 2.041,1234 2.07,1235 1.255,1236 2.052,1237 1.913,1238 1.883,1239 2.012,1240 2.027,1241 1.255,1242 2.026,1243 1.736,1244 1.684,1245 1.875,1246 1.941,1247 1.208,1248 1.929,1249 1.648,1250 1.599,1251 1.86,1252 1.886,1253 1.187,1254 1.872,1255 1.604,1256 1.543,1257 1.86,1258 1.788,1259 1.185,1260 1.798,1261 1.604,1262 1.543,1263 1.839,1264 1.76,1265 1.099,1266 1.798,1267 1.522,1268 1.437,1269 1.789,1270 1.76,1271 0.879,1272 1.792,1273 1.434,1274 1.381,1275 1.534,1276 1.69,1277 0.537,1278 1.656,1279 4.575,1281 5.922,1282 3.045,1283 7.455,1284 5.533,1285 9.078,1286 7.678,1287 10.749,1289 4.065,1295 8.037,1296 5.831,1297 11.668,1299 1.176,1300 6.817,1305 49.218,1306 123.998,1307 280.393,1308 356.244,1309 372.244,1310 378.244,1311 380.244,1312 66.009,1313 9.164,1314 107.98,1315 107.98,1316 40,1317 13.148,1318 4.322,1319 3.459,1320 56.432,1321 233,1322 292,1323 0.113,1324 293.448,1325 513.61,1326 707.774,1327 143504,1329 28.631,1330 0.682,1331 0.576,1332 28.631,1333 24.2,1334 20.496,1335 0.427,1336 0.31,1337 14.643,1338 19.563,1339 14.322,1340 11.777,1341 20.496,1342 14.903,1343 19.073,1344 0.276,1345 0.174,1346 19.073,1347 12.01,1348 15.999,1349 0.17,1350 0.092,1351 15.999,1352 8.666,1353 14.535,1354 0.11,1355 0.051,1356 14.535,1357 6.679,1358 11.83,1359 0.07,1360 0.027,1361 11.83,1362 4.472,1363 0.182,1364 129.378,1365 0.174,1366 37.708,1367 0.299,1368 234,1369 625.743,1370 260.372,1371 596.465,1372 829.81,1373 564,1374 280,1375 620.318,1376 308.177,1377 627.043,1378 929.28,1379 588,1380 6.302}
{0 CHEMBL1092394,1 1.564,2 16.073,3 3.575,4 12.78,5 155.158,6 7.23,7 0.383,8 4.464,9 4.593,10 4.02,11 3.947,12 5.467,13 3.942,14 5.067,15 5.25,16 4.412,17 4.388,18 6.052,19 4.354,20 5.35,21 5.578,22 4.457,23 4.553,24 6.234,25 4.48,26 5.381,27 5.641,28 4.377,29 4.468,30 6.306,31 4.383,32 5.235,33 5.487,34 4.37,35 4.375,36 6.283,37 4.333,38 5.117,39 5.313,40 4.401,41 4.413,42 6.106,43 4.374,44 5.233,45 5.44,46 4.437,47 4.554,48 6.155,49 4.49,50 5.405,51 5.605,52 4.45,53 4.717,54 6.309,55 4.591,56 0.043,57 1.225,58 16.977,59 6.569,60 9.994,61 9.228,62 0.604,63 2.022,64 34.342,65 11.704,66 47.316,67 16.447,68 0.574,69 2.469,70 47.49,71 14.913,72 49.304,73 22.49,74 0.621,75 2.423,76 50.953,77 14.721,78 65.592,79 22.992,80 0.838,81 2.179,82 44.039,83 10.874,84 88.85,85 17.679,86 0.408,87 2.127,88 36.057,89 11.443,90 42.436,91 16.961,92 0.664,93 2.344,94 40.86,95 13.227,96 46.554,97 19.61,98 0.476,99 2.623,100 47.632,101 20.568,102 68.166,103 28.17,104 7,105 67,106 0.239,107 0.546,108 0.687,109 0.719,110 0.73,111 0.734,112 3.742,113 0.928,114 -4.79,115 -4.7,116 -4.41,119 39,121 4,124 1,125 5,127 4,142 8,143 2,144 2,149 1,150 2,159 1,172 10,174 7,175 6,178 2,179 1,180 5,183 8,186 2,187 8,192 6,195 4,198 3,199 19,204 8,211 4,212 10,217 4,224 16,227 2,228 1,229 2,232 8,236 4,237 2,245 16,249 2,250 4,253 6,254 1,258 20,263 8,271 4,275 3825,276 28.574,277 28.574,278 28.574,279 28.574,280 28.574,281 26.388,282 45.507,283 16.825,284 29.355,285 23.249,286 23.249,287 23.249,288 23.249,289 23.249,290 19.841,291 71.607,292 7.965,293 24.532,294 4.702,295 2.696,296 1.776,297 1.568,298 1.49,299 1.464,300 4.468,306 1503,307 3.674,310 201.289,311 679.087,312 275.422,318 2.51,319 36.862,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89,331 659,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.657,347 0.86,348 11.103,349 2.926,350 4.151,351 3.403,352 6.17,353 3.831,354 2.862,355 3.616,356 0.86,357 9.179,358 2.775,359 4.063,360 2.889,361 5.603,362 3.688,363 2.714,364 3.257,365 0.8,366 7.731,367 2.646,368 3.851,369 2.805,370 5.458,371 3.505,372 2.537,373 3.141,374 0.8,375 7.247,376 2.447,377 3.631,378 2.553,379 5.377,380 3.284,381 2.323,382 2.887,383 0.657,384 6.889,385 2.225,386 3.472,387 2.382,388 5.173,389 3.136,390 2.18,391 2.703,392 0.247,393 6.483,394 2.076,395 3.248,396 2.314,397 5.086,398 2.851,399 1.924,400 2.441,402 5.839,403 1.822,404 3.158,405 2.276,406 5.086,407 2.851,408 1.879,409 2.302,411 5.839,412 1.822,413 2.879,414 2.016,415 5.066,416 2.839,417 1.879,418 1.879,420 5.786,421 1.809,422 2.879,423 2.016,424 4.627,425 2.824,426 1.828,427 1.879,428 4.954,429 1.759,430 2.766,431 1.933,432 4.299,433 2.29,434 1.373,435 1.87,436 3.871,437 1.261,438 2.5,439 1.737,440 3.899,441 2.167,442 1.293,443 1.5,445 2.894,446 1.12,447 2.5,448 1.434,449 3.809,450 2.166,451 1.271,452 1.5,454 2.845,455 1.12,456 2.328,457 1.386,458 3.533,459 2.023,460 1.1,461 1.325,463 2.324,464 1.013,465 19.2,466 0.468,467 0.876,468 0.021,469 50.75,470 1.238,471 21.5,472 0.524,473 29.25,474 0.713,475 40.873,476 0.997,477 45,478 0.584,479 41.603,480 1.015,481 9.509,482 0.232,483 10.631,484 0.259,485 0.043,487 0.354,493 0.884,494 1.539,495 0.796,496 1.205,497 0.651,498 1.012,499 1.033,500 1.038,501 0.955,502 0.992,503 0.667,504 0.974,505 1.018,506 1.177,507 1.009,508 1.058,509 0.844,510 1.03,511 1.019,512 1.164,513 0.933,514 0.994,515 0.897,516 0.953,517 1.244,518 0.865,519 0.963,520 0.659,521 1.578,522 0.721,523 1.094,524 1.239,525 1.024,526 1.069,527 1.267,528 1.029,529 0.974,530 0.874,531 1.12,532 0.912,533 0.777,534 0.994,535 0.505,536 1.107,537 1.118,538 1.435,539 0.684,540 1.4,541 7.5,542 0.123,543 4,544 2.438,545 1.3,546 1.367,547 1.085,548 0.609,549 0.323,550 0.401,551 32023,552 72639,553 2.221,554 46.8,556 25,559 3,561 8,564 1.805,565 2.139,566 3.799,567 0.764,573 120.464,574 1.564,575 3.571,576 4.491,577 4.699,578 4.776,579 4.802,580 3.281,581 4.187,582 5.323,583 4.101,584 3362.55,585 9.403,586 60199.5,591 482.543,592 1.177,593 5.314,594 0.16,595 0.004,596 0.06,597 0.036,598 0.021,599 0.022,600 0.016,601 0.009,602 0.005,603 0.009,604 0.341,605 0.17,606 0.63,607 0.605,608 234.538,609 -0.048,610 -0.272,611 0.081,612 -0.095,613 -0.009,614 -0.001,615 0.08,616 0.116,617 -0.002,618 0.026,619 0.102,620 -0.009,621 -0.062,622 -0.122,623 -0.041,624 -0.063,625 -0.02,626 -0.05,627 -0.036,628 -0.177,629 0.067,630 -0.044,631 0.041,632 0.014,633 -0.093,634 0.21,635 0.056,636 0.233,637 -0.098,638 0.189,639 -0.115,640 -0.079,641 -0.077,642 -0.069,643 -0.137,644 -0.067,645 -0.098,646 0.29,647 -0.183,648 0.09,649 -0.086,650 -0.024,651 0.154,652 -0.057,653 -0.223,654 -0.311,655 0.1,656 -0.332,657 1.963,658 5.623,659 0.829,660 55.471,661 1.002,662 1.135,663 3.556,664 12.647,665 0.65,666 3.871,667 4.22,668 4.543,669 4.875,670 5.118,671 5.268,672 5.451,673 5.652,674 5.838,675 6.028,676 9.141,677 0.619,678 556.74,679 3.871,680 5.434,681 6.308,682 7.206,683 8.094,684 8.998,685 9.894,686 10.803,687 11.704,688 12.616,689 10.4,691 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 77,733 19,734 2,735 47,737 83,738 30,739 15,740 4,741 8,746 7,747 9,751 1,755 8,758 8,761 16,762 14,766 1,771 1,775 1,781 36,782 11,783 3,784 11,790 8,794 0.714,795 3,808 2,811 2,812 5,813 2,835 1,839 2,840 5,844 1,848 41,854 9,855 3,856 2,858 4,859 2,870 3.9,873 1,874 2,877 19.167,878 13.75,879 8.861,880 4.799,881 3.204,882 1.352,883 1.002,884 7.587,885 12.312,886 4.06,887 4.6,888 5.125,889 5.692,890 6.225,891 6.5,892 6.941,893 7.346,894 7.68,895 8.07,896 1,897 68,898 15.256,900 6.678,901 7.565,902 29.864,904 25.794,905 2.065,906 84.667,910 388.446,911 137.106,912 110.637,914 47.145,917 137.106,918 435.591,919 110.637,920 8.396,921 66.635,922 93.821,923 97.501,924 20.461,925 8.074,926 388.446,928 388.446,929 247.744,930 47.145,933 296.605,934 119.314,935 22,937 88.444,938 106.615,939 50.357,941 388.446,942 157.782,943 137.106,946 388.446,947 52.9,948 90.455,949 54.032,950 97.501,951 388.446,952 157.782,953 137.106,955 0.581,956 0.344,957 0.198,958 0.106,959 35,960 14,961 0.084,962 7,963 4,964 1.176,965 5.169,966 435.811,967 0.235,968 32,969 179.66,974 26.749,975 11.629,976 5.551,978 157.782,979 15.431,980 15.023,984 5.55,986 54.032,987 683.335,988 57,993 12.623,997 -0.297,999 77.167,1000 87.427,1001 0.25,1002 0.57,1003 0.717,1004 0.75,1005 0.762,1006 0.766,1007 5.335,1008 1.924,1009 6.29,1010 6.483,1011 4.905,1012 5.288,1013 2.446,1014 7.122,1015 4.801,1016 6.499,1017 1.879,1018 7.852,1019 5.839,1020 4.443,1021 4.966,1022 1.404,1023 8.036,1024 4.298,1025 7.789,1026 1.879,1027 9.513,1028 5.839,1029 6.515,1030 7.338,1031 2.686,1032 11.171,1033 6.305,1034 9.107,1035 1.828,1036 11.234,1037 5.786,1038 6.899,1039 7.812,1040 2.382,1041 12.964,1042 6.631,1043 10.458,1044 1.373,1045 12.996,1046 4.954,1047 8.41,1048 9.675,1049 3.33,1050 15.61,1051 8.082,1052 11.83,1053 1.293,1054 14.787,1055 3.871,1056 9.199,1057 10.528,1058 3.421,1059 17.777,1060 8.799,1061 13.219,1062 1.271,1063 16.601,1064 2.894,1065 10.482,1066 12.166,1067 4.18,1068 20.265,1069 10.022,1070 3.259,1071 1.1,1072 18.433,1073 2.845,1074 11.466,1075 13.226,1076 4.467,1077 22.585,1078 10.926,1079 3.133,1080 11.434,1081 20.28,1082 2.324,1083 12.66,1084 14.748,1085 5.118,1086 25.023,1087 12.054,1088 2.862,1089 11.103,1090 22.138,1091 4.064,1092 13.734,1093 15.931,1094 5.504,1095 27.404,1096 13.047,1097 2.714,1098 9.179,1099 24.007,1100 3.657,1101 14.896,1102 17.389,1103 6.093,1104 29.828,1105 14.139,1106 2.537,1107 7.731,1108 25.884,1109 3.616,1110 16.013,1111 18.648,1112 6.531,1113 32.233,1114 15.175,1115 2.323,1116 7.247,1117 27.768,1118 3.257,1119 17.167,1120 20.07,1121 7.084,1122 34.655,1123 16.254,1124 2.18,1125 6.889,1126 29.657,1127 3.141,1128 18.304,1129 21.377,1130 7.551,1131 37.07,1132 17.311,1133 28953,1134 43773,1135 32.709,1136 50.069,1137 71.259,1138 72.233,1139 72.554,1140 70.718,1141 70.731,1142 84.961,1143 11.761,1144 206.86,1145 67.063,1146 5.458,1147 5.562,1148 6.623,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 13.161,1156 1.516,1157 1.537,1158 1.544,1159 1.505,1160 1.505,1161 1.808,1162 0.25,1163 4.401,1164 1.427,1165 4.063,1166 4.113,1167 4.012,1168 3.922,1169 7.431,1170 3.934,1171 3.937,1172 3.976,1173 3.875,1174 3.848,1175 5.079,1176 3.848,1177 3.914,1178 3.965,1179 3.822,1180 3.789,1181 4.761,1182 3.793,1183 3.892,1184 3.927,1185 3.814,1186 3.754,1187 4.701,1188 3.76,1189 3.617,1190 3.676,1191 3.568,1192 3.396,1193 4.639,1194 3.436,1195 3.493,1196 3.578,1197 3.396,1198 3.246,1199 4.609,1200 3.268,1201 3.343,1202 3.405,1203 3.218,1204 3.062,1205 4.291,1206 3.099,1207 3.144,1208 3.206,1209 2.957,1210 2.951,1211 4.088,1212 2.926,1213 0.095,1214 0.076,1215 0.146,1216 0.089,1217 0.069,1218 4.458,1219 0.086,1220 3.562,1221 0.035,1222 6.853,1223 0.243,1224 4.184,1225 0.064,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.935,1232 1.904,1233 2.038,1234 2.069,1235 1.255,1236 2.051,1237 1.91,1238 1.881,1239 2.011,1240 2.022,1241 1.255,1242 2.021,1243 1.736,1244 1.684,1245 1.875,1246 1.939,1247 1.208,1248 1.928,1249 1.648,1250 1.599,1251 1.86,1252 1.886,1253 1.187,1254 1.872,1255 1.604,1256 1.543,1257 1.86,1258 1.76,1259 1.167,1260 1.798,1261 1.604,1262 1.543,1263 1.839,1264 1.76,1265 1.098,1266 1.798,1267 1.452,1268 1.394,1269 1.716,1270 1.733,1271 0.779,1272 1.726,1273 1.416,1274 1.337,1275 1.533,1276 1.678,1277 0.525,1278 1.652,1279 4.554,1281 5.894,1282 3.045,1283 7.43,1284 5.533,1285 9.055,1286 7.678,1287 10.73,1289 1.907,1295 7.967,1296 8.921,1297 11.658,1299 1.177,1300 4.707,1305 47.691,1306 120.464,1307 274.936,1308 345.788,1309 361.788,1310 367.788,1311 369.788,1312 63.49,1313 9.107,1314 116.77,1315 116.77,1316 40,1317 13.132,1318 4.322,1319 3.459,1320 54.428,1321 219,1322 304,1323 0.116,1324 283.856,1325 496.31,1326 684.369,1327 132818,1329 27.761,1330 0.677,1331 0.567,1332 27.761,1333 23.253,1334 20.14,1335 0.429,1336 0.309,1337 14.297,1338 19.237,1339 14.054,1340 11.522,1341 20.14,1342 14.546,1343 18.232,1344 0.272,1345 0.169,1346 18.232,1347 11.302,1348 15.891,1349 0.171,1350 0.092,1351 15.891,1352 8.548,1353 14.33,1354 0.11,1355 0.05,1356 14.33,1357 6.53,1358 11.677,1359 0.07,1360 0.026,1361 11.677,1362 4.385,1363 0.186,1364 127.065,1365 0.175,1366 36.918,1367 0.307,1368 228,1369 614.431,1370 254.011,1371 584.891,1372 816.03,1373 554,1374 274,1375 611.754,1376 301.345,1377 615.183,1378 915,1379 580,1380 6.646}
{0 CHEMBL1092395,1 1.572,2 17.727,3 4.16,4 17.301,5 166.393,6 7.152,7 0.36,8 4.547,9 4.673,10 4.092,11 4.007,12 5.546,13 4.004,14 5.154,15 5.34,16 4.477,17 4.436,18 6.132,19 4.409,20 5.423,21 5.645,22 4.514,23 4.607,24 6.318,25 4.536,26 5.471,27 5.735,28 4.432,29 4.533,30 6.375,31 4.443,32 5.33,33 5.585,34 4.433,35 4.44,36 6.356,37 4.396,38 5.184,39 5.374,40 4.482,41 4.491,42 6.174,43 4.454,44 5.323,45 5.522,46 4.519,47 4.651,48 6.282,49 4.58,50 5.513,51 5.727,52 4.499,53 4.797,54 6.364,55 4.66,56 0.043,57 1.308,58 18.844,59 7.218,60 10.556,61 10.191,62 0.698,63 2.132,64 38.42,65 12.443,66 51.721,67 17.667,68 0.739,69 2.584,70 51.667,71 15.854,72 56.402,73 23.863,74 0.707,75 2.549,76 56.329,77 16.274,78 71.384,79 25.478,80 1.04,81 2.295,82 49.368,83 12.076,84 98.653,85 19.621,86 0.419,87 2.274,88 38.757,89 12.302,90 42.953,91 18.423,92 0.835,93 2.558,94 44.888,95 14.918,96 61.886,97 22.106,98 0.441,99 2.852,100 54.024,101 23.229,102 64.26,103 32.2,104 14,105 71,106 0.237,107 0.529,108 0.678,109 0.719,110 0.73,111 0.734,112 3.81,113 0.933,114 -4.45,115 -4.38,116 -4.12,119 38.1,121 4,124 2,125 6,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 8,174 7,175 8,178 2,179 1,180 4,183 6,186 3,187 10,192 4,195 4,198 3,199 19,204 5,211 4,212 12,215 1,217 4,224 17,227 2,229 1,232 8,236 5,237 2,240 1,245 16,249 2,250 4,253 6,258 18,263 10,271 2,275 4656,276 30.272,277 30.272,278 30.272,279 30.272,280 30.272,281 28.086,282 47.515,283 17.815,284 31.227,285 24.767,286 24.767,287 24.767,288 24.767,289 24.767,290 21.359,291 73.617,292 8.54,293 26.352,294 4.82,295 2.876,296 1.89,297 1.613,298 1.542,299 1.518,300 4.533,306 1764,307 4.183,310 224.865,311 753.68,312 307.417,318 2.901,319 40.452,322 0.5,323 0.5,324 0.5,325 0.8,326 0.5,327 0.67,328 1,329 0.64,330 96,331 780,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.657,347 0.86,348 11.103,349 2.926,350 4.151,351 3.403,352 6.17,353 3.831,354 2.862,355 3.616,356 0.86,357 9.179,358 2.775,359 4.064,360 2.913,361 5.603,362 3.677,363 2.715,364 3.257,365 0.86,366 7.732,367 2.607,368 3.852,369 2.887,370 5.459,371 3.494,372 2.54,373 3.141,374 0.8,375 7.25,376 2.418,377 3.632,378 2.583,379 5.378,380 3.276,381 2.336,382 2.888,383 0.8,384 6.891,385 2.19,386 3.475,387 2.548,388 5.176,389 3.157,390 2.228,391 2.703,392 0.8,393 6.495,394 2.066,395 3.266,396 2.398,397 5.086,398 3.08,399 2.147,400 2.444,401 0.247,402 5.839,403 1.993,404 3.191,405 2.318,406 5.086,407 2.851,408 1.924,409 2.302,411 5.839,412 1.822,413 3.158,414 2.276,415 5.066,416 2.851,417 1.879,418 2.21,420 5.786,421 1.822,422 2.879,423 2.016,424 4.657,425 2.839,426 1.879,427 1.879,428 5.163,429 1.779,430 2.879,431 2.016,432 4.618,433 2.808,434 1.822,435 1.879,436 4.945,437 1.759,438 2.766,439 1.933,440 4.299,441 2.289,442 1.373,443 1.87,445 3.871,446 1.26,447 2.5,448 1.737,449 3.899,450 2.167,451 1.293,452 1.5,454 2.894,455 1.12,456 2.5,457 1.508,458 3.809,459 2.166,460 1.271,461 1.5,463 2.845,464 1.12,465 20.533,466 0.467,467 1.02,468 0.023,469 53.5,470 1.216,471 22,472 0.5,473 31.5,474 0.716,475 45.176,476 1.027,477 49.067,478 0.584,479 45.341,480 1.03,481 10.1,482 0.23,483 11.396,484 0.259,485 0.065,487 0.351,493 0.877,494 1.627,495 0.8,496 1.286,497 0.664,498 1.062,499 1.126,500 1.017,501 0.956,502 0.956,503 0.686,504 0.936,505 1.099,506 1.166,507 1.062,508 1.068,509 0.915,510 1.056,511 0.975,512 1.145,513 0.901,514 0.992,515 0.883,516 0.941,517 1.266,518 0.804,519 0.939,520 0.6,521 1.558,522 0.674,523 1.052,524 1.3,525 1.009,526 1.081,527 1.232,528 1.03,529 0.831,530 0.921,531 1.156,532 0.989,533 0.718,534 1.08,535 0.408,536 1.144,537 1.053,538 1.436,539 0.509,540 1.381,541 8.5,542 0.172,543 4.222,544 2.563,545 1.3,546 1.479,547 1.187,548 0.668,549 0.388,550 0.421,551 40070,552 91458,553 2.19,554 47.6,556 30,559 2,561 8,564 1.82,565 2.095,566 3.935,567 0.149,573 132.078,574 1.572,575 3.516,576 4.503,577 4.779,578 4.851,579 4.874,580 3.416,581 4.278,582 5.423,583 4.269,584 4038.75,585 9.592,586 78464.3,591 536.955,592 1.242,593 5.411,594 0.17,595 0.004,596 0.059,597 0.036,598 0.02,599 0.022,600 0.016,601 0.009,602 0.006,603 0.009,604 0.352,605 0.17,606 0.63,607 0.885,608 259.335,609 -0.034,610 -0.341,611 0.089,612 -0.146,613 -0.007,614 -0.028,615 0.027,616 0.139,617 0.018,618 0.059,619 0.112,620 0.03,621 -0.08,622 -0.097,623 -0.086,624 -0.07,625 -0.045,626 -0.077,627 -0.021,628 -0.171,629 0.096,630 -0.036,631 0.054,632 0.034,633 -0.086,634 0.246,635 0.091,636 0.294,637 -0.087,638 0.241,639 -0.131,640 -0.109,641 -0.066,642 -0.056,643 -0.124,644 -0.05,645 -0.015,646 0.276,647 -0.227,648 0.043,649 -0.03,650 -0.09,651 0.148,652 -0.099,653 -0.162,654 -0.298,655 0.096,656 -0.292,657 1.991,658 5.72,659 0.773,660 65.901,661 1.003,662 1.137,663 3.217,664 10.351,665 0.643,666 3.932,667 4.277,668 4.575,669 4.898,670 5.142,671 5.298,672 5.476,673 5.68,674 5.872,675 6.057,676 10.218,677 0.613,678 600.8,679 3.932,680 5.493,681 6.358,682 7.251,683 8.132,684 9.032,685 9.923,686 10.828,687 11.726,688 12.636,689 9.5,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,729 1,731 84,733 19,734 2,735 50,737 90,738 32,739 15,740 4,741 8,746 7,747 9,751 1,755 8,758 8,761 16,762 16,766 1,771 1,775 1,781 40,782 12,783 2,784 12,790 8,794 0.714,795 4,808 2,811 2,812 5,813 2,836 1,839 2,840 5,844 2,848 44,854 10,855 2,856 3,858 4,859 3,870 4.8,873 1,874 2,875 1,877 21,878 15.367,879 9.444,880 5.174,881 3.285,882 1.355,883 0.984,884 8.763,885 12.553,886 4.111,887 4.64,888 5.143,889 5.703,890 6.235,891 6.515,892 6.956,893 7.366,894 7.705,895 8.09,896 1,897 71,898 16.372,900 7.096,901 7.572,902 31.997,904 27.293,905 2.072,906 91.167,910 447.302,911 152.153,912 95.751,914 58.145,917 152.153,918 505.446,919 95.751,920 16.793,921 71.227,922 75.81,923 97.501,924 36.643,925 8.074,926 447.302,928 447.302,929 247.904,930 58.145,933 355.461,934 130.314,935 22,937 78.15,938 117.07,939 50.357,941 447.302,942 153.896,943 152.153,946 447.302,947 59.55,948 101.976,949 36.022,950 108.501,951 447.302,952 153.896,953 152.153,955 0.584,956 0.334,957 0.187,958 0.1,959 36,960 15,961 0.1,962 9,963 4,964 1.176,965 5.441,966 468.96,967 0.235,968 32,969 198.215,974 29.537,975 13.053,976 6.619,978 153.896,979 14.98,980 15.039,984 5.059,986 36.022,987 753.35,988 60,993 12.72,997 -0.325,999 84.261,1000 95.467,1001 0.246,1002 0.55,1003 0.704,1004 0.748,1005 0.759,1006 0.763,1007 5.387,1008 2.147,1009 6.34,1010 6.495,1011 4.963,1012 5.328,1013 2.574,1014 7.16,1015 4.844,1016 6.548,1017 1.924,1018 7.896,1019 5.839,1020 4.511,1021 5.007,1022 1.494,1023 8.059,1024 4.341,1025 7.832,1026 1.879,1027 9.55,1028 5.839,1029 6.561,1030 7.359,1031 2.763,1032 11.185,1033 6.325,1034 9.144,1035 1.879,1036 11.264,1037 5.786,1038 6.938,1039 7.828,1040 2.41,1041 12.971,1042 6.641,1043 10.489,1044 1.822,1045 13.019,1046 5.163,1047 8.442,1048 9.684,1049 3.363,1050 15.614,1051 8.083,1052 11.856,1053 1.373,1054 14.805,1055 4.945,1056 9.221,1057 10.534,1058 3.427,1059 17.779,1060 8.791,1061 13.24,1062 1.293,1063 16.615,1064 3.871,1065 10.502,1066 12.17,1067 4.191,1068 20.266,1069 10.011,1070 3.259,1071 1.271,1072 18.443,1073 2.894,1074 11.478,1075 13.228,1076 4.469,1077 22.585,1078 10.91,1079 3.133,1080 11.434,1081 20.287,1082 2.845,1083 12.671,1084 14.749,1085 5.121,1086 25.024,1087 12.038,1088 2.862,1089 11.103,1090 22.144,1091 4.064,1092 13.741,1093 15.932,1094 5.505,1095 27.404,1096 13.029,1097 2.715,1098 9.179,1099 24.011,1100 3.657,1101 14.902,1102 17.389,1103 6.094,1104 29.828,1105 14.121,1106 2.54,1107 7.732,1108 25.887,1109 3.616,1110 16.017,1111 18.648,1112 6.531,1113 32.233,1114 15.156,1115 2.336,1116 7.25,1117 27.77,1118 3.257,1119 17.17,1120 20.071,1121 7.084,1122 34.655,1123 16.237,1124 2.228,1125 6.891,1126 29.659,1127 3.141,1128 18.306,1129 21.378,1130 7.551,1131 37.07,1132 17.294,1133 36566,1134 55426,1135 34.501,1136 54.046,1137 75.833,1138 76.73,1139 76.88,1140 75.208,1141 75.185,1142 89.412,1143 13.766,1144 218.199,1145 70.747,1146 5.458,1147 5.562,1148 6.41,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 17.19,1156 1.517,1157 1.535,1158 1.538,1159 1.504,1160 1.504,1161 1.788,1162 0.275,1163 4.364,1164 1.415,1165 4.063,1166 4.114,1167 4.012,1168 3.919,1169 7.431,1170 3.932,1171 3.927,1172 3.965,1173 3.867,1174 3.819,1175 5.08,1176 3.824,1177 3.914,1178 3.962,1179 3.821,1180 3.789,1181 4.858,1182 3.793,1183 3.888,1184 3.919,1185 3.814,1186 3.754,1187 4.704,1188 3.76,1189 3.662,1190 3.746,1191 3.568,1192 3.432,1193 4.639,1194 3.442,1195 3.613,1196 3.671,1197 3.516,1198 3.394,1199 4.61,1200 3.433,1201 3.403,1202 3.447,1203 3.348,1204 3.119,1205 4.413,1206 3.173,1207 3.206,1208 3.282,1209 3.033,1210 2.96,1211 4.222,1212 2.961,1213 0.089,1214 0.071,1215 0.137,1216 0.084,1217 0.065,1218 4.458,1219 0.081,1220 3.562,1221 0.033,1222 6.853,1223 0.229,1224 4.184,1225 0.06,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.931,1232 1.901,1233 2.019,1234 2.069,1235 1.255,1236 2.048,1237 1.88,1238 1.855,1239 1.987,1240 2.007,1241 1.255,1242 1.998,1243 1.736,1244 1.684,1245 1.876,1246 1.938,1247 1.208,1248 1.927,1249 1.648,1250 1.599,1251 1.872,1252 1.886,1253 1.187,1254 1.875,1255 1.612,1256 1.543,1257 1.86,1258 1.867,1259 1.115,1260 1.872,1261 1.604,1262 1.543,1263 1.86,1264 1.76,1265 1.099,1266 1.798,1267 1.604,1268 1.531,1269 1.839,1270 1.76,1271 1.04,1272 1.798,1273 1.437,1274 1.387,1275 1.562,1276 1.697,1277 0.696,1278 1.658,1279 4.615,1281 5.953,1282 3.045,1283 7.478,1284 5.533,1285 9.093,1286 7.678,1287 10.757,1289 4.012,1295 8.579,1296 5.788,1297 17.402,1299 1.149,1300 6.765,1305 51.459,1306 132.078,1307 295.383,1308 378.226,1309 401.445,1310 407.445,1311 409.445,1312 71.72,1313 9.267,1314 117.21,1315 117.21,1316 40,1317 13.154,1318 4.322,1319 3.459,1320 60.566,1321 266,1322 342,1323 0.107,1324 307.037,1325 539.7,1326 740.93,1327 167474,1329 30.045,1330 0.683,1331 0.575,1332 30.045,1333 25.316,1334 21.496,1335 0.43,1336 0.311,1337 15.248,1338 20.424,1339 14.944,1340 12.267,1341 21.496,1342 15.543,1343 19.768,1344 0.278,1345 0.173,1346 19.768,1347 12.251,1348 16.588,1349 0.173,1350 0.092,1351 16.588,1352 8.875,1353 14.736,1354 0.111,1355 0.05,1356 14.736,1357 6.601,1358 11.995,1359 0.071,1360 0.026,1361 11.995,1362 4.415,1363 0.174,1364 136.286,1365 0.17,1366 39.404,1367 0.278,1368 242,1369 677.479,1370 271.915,1371 637.787,1372 884.09,1373 604,1374 288,1375 657.772,1376 319.388,1377 659.918,1378 977.6,1379 620,1380 6.02}
{0 CHEMBL1092396,1 1.559,2 20.083,3 4.117,4 16.948,5 182.443,6 7.053,7 0.327,8 4.649,9 4.778,10 4.187,11 4.107,12 5.616,13 4.101,14 5.271,15 5.462,16 4.572,17 4.547,18 6.215,19 4.515,20 5.557,21 5.789,22 4.608,23 4.731,24 6.41,25 4.651,26 5.602,27 5.867,28 4.505,29 4.668,30 6.458,31 4.557,32 5.493,33 5.77,34 4.501,35 4.55,36 6.445,37 4.486,38 5.298,39 5.499,40 4.543,41 4.564,42 6.258,43 4.522,44 5.4,45 5.604,46 4.592,47 4.723,48 6.336,49 4.651,50 5.592,51 5.804,52 4.588,53 4.877,54 6.441,55 4.744,56 0.031,57 1.46,58 21.356,59 7.975,60 9.935,61 11.497,62 0.733,63 2.406,64 43.697,65 13.687,66 52.945,67 19.991,68 0.836,69 2.933,70 59.775,71 18.075,72 58.136,73 27.648,74 0.693,75 2.879,76 63.913,77 19.127,78 70.016,79 29.958,80 1.107,81 2.581,82 58.937,83 14.556,84 103.001,85 24.119,86 0.571,87 2.449,88 44.911,89 13.701,90 50.698,91 20.698,92 0.841,93 2.74,94 49.192,95 16.409,96 63.132,97 24.451,98 0.483,99 3.086,100 59.035,101 24.919,102 66.792,103 34.61,104 5,105 78,106 0.23,107 0.512,108 0.671,109 0.725,110 0.747,111 0.751,112 3.894,113 0.947,114 -4.29,115 -4.22,116 -3.99,119 37.6,121 4,124 1,125 10,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 8,174 7,175 8,178 2,179 1,180 4,183 6,186 4,187 10,192 4,195 4,198 3,199 19,204 5,211 4,212 12,215 1,217 4,223 1,224 17,227 2,229 1,232 8,236 5,237 2,240 1,245 16,249 2,250 6,253 6,258 18,263 12,271 2,275 5866,276 33.289,277 33.289,278 33.289,279 33.289,280 33.289,281 31.103,282 53.105,283 19.554,284 34.363,285 27.233,286 27.233,287 27.233,288 27.233,289 27.233,290 23.825,291 82.367,292 9.374,293 29.007,294 4.981,295 3.07,296 1.991,297 1.621,298 1.47,299 1.449,300 4.625,306 2208,307 3.937,310 253.657,311 1043.93,312 346.854,318 3.326,319 43.092,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 104.5,331 964,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.657,347 0.86,348 11.103,349 2.926,350 4.151,351 3.403,352 6.17,353 3.831,354 2.862,355 3.616,356 0.86,357 9.179,358 2.775,359 4.064,360 2.974,361 5.603,362 3.678,363 2.717,364 3.257,365 0.86,366 7.732,367 2.607,368 3.852,369 2.89,370 5.46,371 3.542,372 2.62,373 3.141,374 0.8,375 7.26,376 2.424,377 3.642,378 2.871,379 5.414,380 3.488,381 2.534,382 2.889,383 0.8,384 7.148,385 2.4,386 3.607,387 2.557,388 5.374,389 3.269,390 2.325,391 2.704,392 0.8,393 6.888,394 2.186,395 3.472,396 2.493,397 5.173,398 3.128,399 2.188,400 2.615,401 0.8,402 6.488,403 2.051,404 3.251,405 2.398,406 5.086,407 3.005,408 2.092,409 2.441,410 0.247,411 5.839,412 1.907,413 3.158,414 2.318,415 5.086,416 2.851,417 1.924,418 2.302,420 5.839,421 1.822,422 3.101,423 2.276,424 5.066,425 2.851,426 1.879,427 2.105,428 5.786,429 1.822,430 2.879,431 2.016,432 4.887,433 2.839,434 1.879,435 1.879,436 5.69,437 1.779,438 2.879,439 2.016,440 4.627,441 2.81,442 1.824,443 1.879,445 4.955,446 1.759,447 2.766,448 1.933,449 4.299,450 2.289,451 1.373,452 1.87,454 3.871,455 1.261,456 2.5,457 1.737,458 3.899,459 2.167,460 1.293,461 1.5,463 2.894,464 1.12,465 22.433,466 0.467,467 1.05,468 0.022,469 56.75,470 1.182,471 22,472 0.458,473 34.75,474 0.724,475 51.584,476 1.075,477 53.767,478 0.578,479 48.362,480 1.008,481 10.633,482 0.222,483 12.919,484 0.269,485 0.037,487 0.339,493 0.881,494 1.664,495 0.81,496 1.301,497 0.647,498 1.077,499 1.16,500 1.065,501 0.991,502 0.977,503 0.69,504 0.961,505 1.096,506 1.097,507 1.071,508 1.035,509 0.879,510 1.04,511 0.919,512 1.184,513 0.94,514 1.077,515 0.858,516 1.022,517 1.161,518 0.771,519 0.872,520 0.606,521 1.42,522 0.658,523 1.198,524 1.196,525 1.02,526 1.008,527 1.307,528 0.982,529 0.843,530 0.918,531 1.111,532 0.98,533 0.723,534 1.05,535 0.506,536 1.142,537 1.066,538 1.41,539 0.567,540 1.357,541 9,542 0.172,543 4.667,544 2.563,545 1.482,546 1.513,547 1.206,548 0.634,549 0.429,550 0.483,551 55669,552 119675,553 2.224,554 48.4,556 35,559 2,561 8,564 1.837,565 2.149,566 4.105,567 0.127,573 144.954,574 1.559,575 3.469,576 4.548,577 4.918,578 5.069,579 5.09,580 3.54,581 4.444,582 5.551,583 4.444,584 5013,585 9.83,586 107395,591 608.142,592 1.143,593 5.544,594 0.164,595 0.004,596 0.06,597 0.033,598 0.022,599 0.021,600 0.016,601 0.008,602 0.006,603 0.009,604 0.342,605 0.17,606 0.63,607 0.307,608 292.685,609 -0.027,610 -0.361,611 0.096,612 -0.15,613 0.014,614 -0.028,615 0.005,616 0.105,617 -0.006,618 0.038,619 0.107,620 0.009,621 -0.079,622 -0.029,623 -0.088,624 -0.04,625 -0.027,626 -0.06,627 -0.009,628 -0.212,629 0.047,630 -0.1,631 0.055,632 -0.033,633 -0.034,634 0.225,635 0.16,636 0.286,637 -0.02,638 0.268,639 -0.127,640 -0.043,641 -0.044,642 0.008,643 -0.127,644 -0.003,646 0.268,647 -0.169,648 0.066,649 -0.001,650 -0.046,651 0.118,652 -0.086,653 -0.163,654 -0.265,655 0.081,656 -0.267,657 1.984,658 5.839,659 0.833,660 80.743,661 1.001,662 1.138,663 3.056,664 9.339,665 0.641,666 4.025,667 4.369,668 4.673,669 4.984,670 5.231,671 5.357,672 5.525,673 5.727,674 5.922,675 6.111,676 11.525,677 0.608,678 655.89,679 4.025,680 5.587,681 6.454,682 7.343,683 8.222,684 9.117,685 10.005,686 10.904,687 11.798,688 12.702,689 9.7,692 2,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,729 1,731 93,733 19,734 2,735 55,737 100,738 35,739 15,740 4,741 8,746 8,747 10,751 1,755 8,758 8,761 16,762 19,766 1,771 1,775 1,781 45,782 13,783 2,784 13,790 9,794 0.75,795 4,808 2,811 2,812 6,813 2,836 2,839 2,840 6,844 1,848 48,854 14,855 2,856 3,858 4,859 4,870 4.3,873 1,874 2,875 1,877 22.333,878 16.567,879 10.278,880 5.874,881 3.422,882 1.354,883 0.993,884 9.564,885 13.092,886 4.19,887 4.705,888 5.2,889 5.742,890 6.265,891 6.533,892 6.969,893 7.379,894 7.721,895 8.112,896 0.923,897 78,898 17.895,900 7.803,901 7.524,902 35.263,904 30.436,905 2.024,906 97.167,910 506.157,911 152.179,912 98.875,914 58.145,917 152.179,918 564.302,919 98.875,920 8.396,921 79.65,922 75.81,923 97.501,924 39.768,925 8.074,926 506.157,928 506.157,929 251.055,930 58.145,933 414.316,934 130.314,935 22,937 89.697,938 108.673,939 50.357,941 506.157,942 157.02,943 152.179,946 506.157,947 67.973,948 96.704,949 36.022,950 108.501,951 506.157,952 157.02,953 152.179,955 0.585,956 0.341,957 0.189,958 0.103,959 40,960 16,961 0.09,962 9,963 4,964 1.15,965 5.877,966 524.055,967 0.2,968 38,969 224.078,974 32.023,975 14.336,976 7.243,978 157.02,979 15.143,980 15.085,984 5.109,986 36.022,987 815.357,988 65,993 12.839,997 -0.318,999 93.13,1000 105.796,1001 0.238,1002 0.531,1003 0.695,1004 0.752,1005 0.775,1006 0.778,1007 5.47,1008 2.188,1009 6.431,1010 6.888,1011 5.056,1012 5.394,1013 2.645,1014 7.244,1015 4.935,1016 6.621,1017 2.092,1018 7.982,1019 6.488,1020 4.575,1021 5.047,1022 1.577,1023 8.12,1024 4.396,1025 7.901,1026 1.924,1027 9.63,1028 5.839,1029 6.65,1030 7.4,1031 2.792,1032 11.241,1033 6.408,1034 9.207,1035 1.879,1036 11.338,1037 5.839,1038 7.004,1039 7.855,1040 2.438,1041 13.006,1042 6.696,1043 10.547,1044 1.879,1045 13.086,1046 5.786,1047 8.519,1048 9.707,1049 3.372,1050 15.643,1051 8.152,1052 11.908,1053 1.824,1054 14.864,1055 5.69,1056 9.279,1057 10.55,1058 3.434,1059 17.796,1060 8.839,1061 13.286,1062 1.373,1063 16.666,1064 4.955,1065 10.564,1066 12.182,1067 4.194,1068 20.279,1069 10.063,1070 3.259,1071 1.293,1072 18.488,1073 3.871,1074 11.525,1075 13.237,1076 4.471,1077 22.593,1078 10.948,1079 3.133,1080 11.434,1081 20.325,1082 2.894,1083 12.717,1084 14.755,1085 5.122,1086 25.029,1087 12.076,1088 2.862,1089 11.103,1090 22.176,1091 4.064,1092 13.777,1093 15.936,1094 5.505,1095 27.407,1096 13.058,1097 2.717,1098 9.179,1099 24.038,1100 3.657,1101 14.936,1102 17.392,1103 6.094,1104 29.831,1105 14.148,1106 2.62,1107 7.732,1108 25.909,1109 3.616,1110 16.043,1111 18.65,1112 6.531,1113 32.235,1114 15.178,1115 2.534,1116 7.26,1117 27.788,1118 3.257,1119 17.194,1120 20.072,1121 7.084,1122 34.656,1123 16.255,1124 2.325,1125 7.148,1126 29.673,1127 3.141,1128 18.326,1129 21.379,1130 7.551,1131 37.071,1132 17.309,1133 49683,1134 73139,1135 38.372,1136 59.574,1137 83.169,1138 84.148,1139 84.181,1140 82.667,1141 82.63,1142 96.863,1143 15.366,1144 239.261,1145 77.69,1146 5.458,1147 5.562,1148 6.407,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 14.639,1156 1.512,1157 1.53,1158 1.531,1159 1.503,1160 1.502,1161 1.761,1162 0.279,1163 4.35,1164 1.413,1165 4.066,1166 4.117,1167 4.014,1168 3.921,1169 7.431,1170 3.934,1171 3.93,1172 3.97,1173 3.869,1174 3.82,1175 5.08,1176 3.825,1177 3.914,1178 3.965,1179 3.822,1180 3.789,1181 4.858,1182 3.794,1183 3.892,1184 3.933,1185 3.814,1186 3.754,1187 4.704,1188 3.76,1189 3.834,1190 3.897,1191 3.718,1192 3.635,1193 4.639,1194 3.645,1195 3.615,1196 3.672,1197 3.567,1198 3.394,1199 4.611,1200 3.435,1201 3.474,1202 3.541,1203 3.379,1204 3.239,1205 4.432,1206 3.252,1207 3.37,1208 3.424,1209 3.261,1210 3.099,1211 4.323,1212 3.145,1213 0.081,1214 0.065,1215 0.125,1216 0.076,1217 0.059,1218 4.458,1219 0.074,1220 3.562,1221 0.03,1222 6.853,1223 0.208,1224 4.184,1225 0.055,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.931,1232 1.901,1233 2.021,1234 2.069,1235 1.318,1236 2.049,1237 1.881,1238 1.856,1239 2.01,1240 2.035,1241 1.255,1242 2.032,1243 1.786,1244 1.711,1245 1.975,1246 1.991,1247 1.255,1248 1.985,1249 1.736,1250 1.684,1251 1.875,1252 1.934,1253 1.208,1254 1.925,1255 1.648,1256 1.599,1257 1.86,1258 1.886,1259 1.187,1260 1.872,1261 1.604,1262 1.543,1263 1.86,1264 1.76,1265 1.101,1266 1.798,1267 1.604,1268 1.543,1269 1.839,1270 1.76,1271 1.07,1272 1.798,1273 1.441,1274 1.389,1275 1.705,1276 1.708,1277 0.96,1278 1.695,1279 4.71,1281 6.047,1282 3.045,1283 7.574,1284 5.533,1285 9.188,1286 7.678,1287 10.848,1289 2.16,1295 13.04,1296 5.845,1297 17.634,1299 1.145,1300 9.483,1305 56.534,1306 144.954,1307 322.643,1308 422.948,1309 457.387,1310 471.387,1311 473.387,1312 76.479,1313 9.67,1314 120.45,1315 120.45,1316 46,1317 13.224,1318 4.322,1319 3.459,1320 63.757,1321 333,1322 410,1323 0.09,1324 335.215,1325 590.24,1326 809.684,1327 298361,1329 32.451,1330 0.676,1331 0.575,1332 32.451,1333 27.591,1334 23.552,1335 0.428,1336 0.316,1337 17.039,1338 22.382,1339 16.764,1340 13.682,1341 23.552,1342 17.36,1343 21.5,1344 0.276,1345 0.174,1346 21.5,1347 13.593,1348 18.555,1349 0.175,1350 0.098,1351 18.555,1352 10.34,1353 16.234,1354 0.112,1355 0.053,1356 16.234,1357 7.619,1358 13.435,1359 0.072,1360 0.028,1361 13.435,1362 5.262,1363 0.148,1364 149.148,1365 0.161,1366 42.63,1367 0.228,1368 266,1369 721.124,1370 298.329,1371 678.277,1372 943.45,1373 644,1374 317,1375 703.237,1376 351.275,1377 703.301,1378 1044.71,1379 663,1380 6.316}
{0 CHEMBL1092397,1 1.557,2 18.587,3 4.621,4 21.349,5 173.933,6 7.123,7 0.34,8 4.597,9 4.722,10 4.144,11 4.073,12 5.565,13 4.066,14 5.219,15 5.401,16 4.533,17 4.517,18 6.173,19 4.481,20 5.51,21 5.747,22 4.544,23 4.667,24 6.36,25 4.585,26 5.499,27 5.76,28 4.461,29 4.577,30 6.387,31 4.483,32 5.383,33 5.64,34 4.47,35 4.488,36 6.386,37 4.438,38 5.25,39 5.45,40 4.508,41 4.525,42 6.214,43 4.486,44 5.342,45 5.538,46 4.561,47 4.688,48 6.291,49 4.62,50 5.545,51 5.752,52 4.549,53 4.849,54 6.395,55 4.714,56 0.032,57 1.377,58 19.877,59 7.771,60 8.951,61 10.883,62 0.659,63 2.299,64 40.729,65 13.686,66 50.464,67 19.323,68 0.792,69 2.78,70 57.196,71 17.39,72 57.451,73 26.353,74 0.669,75 2.66,76 57.646,77 17.117,78 66.914,79 26.469,80 0.993,81 2.42,82 51.94,83 13.203,84 96.594,85 21.185,86 0.504,87 2.357,88 42.392,89 13.139,90 48.804,91 19.538,92 0.821,93 2.634,94 45.703,95 15.398,96 59.888,97 22.659,98 0.406,99 2.988,100 55.421,101 24.197,102 61.879,103 33.372,104 2,105 75,106 0.232,107 0.514,108 0.661,109 0.728,110 0.739,111 0.742,112 3.853,113 0.95,114 -4.82,115 -4.73,116 -4.44,119 38.6,121 6,125 8,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 9,174 7,175 10,178 2,179 1,180 4,183 6,186 3,187 10,192 4,195 4,198 3,199 19,204 5,211 4,212 14,215 1,217 4,224 17,227 2,229 1,232 8,236 5,237 2,240 1,245 20,249 2,250 4,253 6,258 22,263 10,271 2,275 5258,276 32.134,277 32.134,278 32.134,279 32.134,280 32.134,281 29.948,282 50.678,283 18.968,284 33.09,285 26.267,286 26.267,287 26.267,288 26.267,289 26.267,290 22.859,291 77.152,292 9.089,293 27.87,294 4.903,295 3.007,296 2.02,297 1.568,298 1.5,299 1.477,300 4.585,306 1969,307 3.873,310 404.625,311 793.522,312 326.199,318 3.076,319 41.805,322 0.5,323 0.5,324 0.5,325 0.8,326 0.5,327 0.67,328 1,329 0.64,330 100,331 855,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.657,347 0.86,348 11.103,349 2.926,350 4.151,351 3.403,352 6.17,353 3.831,354 2.862,355 3.616,356 0.86,357 9.179,358 2.775,359 4.064,360 2.938,361 5.603,362 3.678,363 2.716,364 3.257,365 0.86,366 7.732,367 2.607,368 3.852,369 2.888,370 5.46,371 3.503,372 2.562,373 3.141,374 0.8,375 7.255,376 2.42,377 3.635,378 2.809,379 5.383,380 3.457,381 2.516,382 2.889,383 0.8,384 7.003,385 2.352,386 3.539,387 2.556,388 5.347,389 3.265,390 2.32,391 2.704,392 0.8,393 6.883,394 2.184,395 3.467,396 2.415,397 5.171,398 3.121,399 2.178,400 2.539,401 0.247,402 6.484,403 2.047,404 3.247,405 2.319,406 5.086,407 2.851,408 1.924,409 2.437,411 5.839,412 1.822,413 3.158,414 2.276,415 5.086,416 2.851,417 1.879,418 2.302,420 5.839,421 1.822,422 2.879,423 2.016,424 5.066,425 2.839,426 1.879,427 1.879,428 5.786,429 1.787,430 2.879,431 2.016,432 4.627,433 2.816,434 1.829,435 1.879,436 4.956,437 1.759,438 2.766,439 1.933,440 4.299,441 2.381,442 1.415,443 1.87,445 3.872,446 1.361,447 2.5,448 1.737,449 3.9,450 2.288,451 1.37,452 1.5,454 3.008,455 1.26,456 2.5,457 1.63,458 3.809,459 2.167,460 1.293,461 1.5,463 2.894,464 1.12,465 21.533,466 0.468,467 0.944,468 0.021,469 55,470 1.196,471 22,472 0.478,473 33,474 0.717,475 48.616,476 1.057,477 51.067,478 0.58,479 45.428,480 0.988,481 10.023,482 0.218,483 12.635,484 0.275,485 0.015,487 0.334,493 0.866,494 1.581,495 0.799,496 1.256,497 0.633,498 1.048,499 1.088,500 1.106,501 0.987,502 1.043,503 0.672,504 1.011,505 1.085,506 1.096,507 1.04,508 1.007,509 0.861,510 1.008,511 0.988,512 1.157,513 0.923,514 1.012,515 0.902,516 0.964,517 1.225,518 0.844,519 0.928,520 0.663,521 1.527,522 0.712,523 1.201,524 1.198,525 0.999,526 0.979,527 1.296,528 0.951,529 0.846,530 0.904,531 1.141,532 0.962,533 0.725,534 1.052,535 0.417,536 1.165,537 1.08,538 1.451,539 0.523,540 1.4,541 8,542 0.159,543 4.222,544 2.535,545 1.265,546 1.447,547 1.131,548 0.625,549 0.376,550 0.427,551 49028,552 104860,553 2.249,554 47.7,556 28,559 2,561 12,564 1.829,565 2.19,566 4.006,567 0.127,573 136.979,574 1.557,575 3.452,576 4.44,577 4.891,578 4.959,579 4.982,580 3.423,581 4.333,582 5.488,583 4.351,584 4503.05,585 9.713,586 92112.4,591 568.43,592 1.049,593 5.489,594 0.151,595 0.004,596 0.056,597 0.035,598 0.019,599 0.021,600 0.015,601 0.008,602 0.005,603 0.009,604 0.323,605 0.17,606 0.63,607 0.24,608 275.91,609 -0.028,610 -0.304,611 0.093,612 -0.121,613 0.019,614 -0.013,615 0.04,616 0.052,617 -0.019,618 -0.019,619 0.115,620 -0.038,621 -0.07,622 -0.054,623 -0.053,624 -0.029,625 -0.011,626 -0.035,627 -0.023,628 -0.174,629 0.074,630 -0.052,631 0.049,632 0.011,633 -0.052,634 0.201,635 0.101,636 0.236,637 -0.053,638 0.208,639 -0.153,640 -0.052,641 -0.03,642 0.022,643 -0.131,644 0.017,645 -0.012,646 0.296,647 -0.208,648 0.067,649 -0.019,650 -0.064,651 0.139,652 -0.113,653 -0.19,654 -0.314,655 0.087,656 -0.313,657 1.981,658 5.792,659 0.848,660 72.766,661 1.002,662 1.135,663 3.586,664 12.859,665 0.646,666 3.989,667 4.331,668 4.644,669 4.963,670 5.176,671 5.328,672 5.509,673 5.714,674 5.905,675 6.094,676 10.867,677 0.613,678 626.84,679 3.989,680 5.549,681 6.418,682 7.309,683 8.19,684 9.087,685 9.976,686 10.877,687 11.773,688 12.678,689 9.1,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,729 1,731 88,733 19,734 2,735 53,737 95,738 34,739 15,740 4,741 8,746 8,747 10,751 1,755 10,758 10,761 16,762 18,766 1,771 1,775 1,781 42,782 12,783 2,784 12,790 8,794 0.75,795 4,808 3,811 3,812 5,813 2,836 1,839 2,840 6,848 46,854 14,855 2,856 3,858 4,859 3,870 4.5,873 1,874 2,875 1,877 21,878 15.367,879 9.861,880 5.724,881 3.382,882 1.355,883 1,884 8.869,885 12.909,886 4.159,887 4.677,888 5.183,889 5.732,890 6.246,891 6.524,892 6.966,893 7.377,894 7.718,895 8.107,896 0.917,897 73,898 17.159,900 7.534,901 7.525,902 33.848,904 29.447,905 2.025,906 93.167,910 470.844,911 144.641,912 95.751,914 58.145,917 144.641,918 528.989,919 95.751,921 80.508,922 75.81,923 97.501,924 36.643,925 8.074,926 470.844,928 470.844,929 240.392,930 58.145,933 331.919,934 177.398,935 22,937 87.43,938 100.277,939 50.357,941 470.844,942 153.896,943 144.641,946 470.844,947 68.831,948 85.183,949 36.022,950 108.501,951 470.844,952 153.896,953 144.641,955 0.583,956 0.342,957 0.193,958 0.099,959 39,960 15,961 0.095,962 9,963 4,964 1.154,965 5.736,966 499.63,967 0.205,968 37,969 210.084,974 30.183,975 13.516,976 6.663,978 153.896,979 15.143,980 15.071,984 5.133,986 36.022,987 769.38,988 63,993 12.792,997 -0.314,999 88.145,1000 99.882,1001 0.241,1002 0.534,1003 0.687,1004 0.757,1005 0.768,1006 0.771,1007 5.436,1008 2.178,1009 6.392,1010 6.883,1011 5.017,1012 5.366,1013 2.574,1014 7.207,1015 4.902,1016 6.586,1017 1.924,1018 7.943,1019 6.484,1020 4.511,1021 5.007,1022 1.494,1023 8.087,1024 4.341,1025 7.866,1026 1.879,1027 9.592,1028 5.839,1029 6.611,1030 7.381,1031 2.763,1032 11.218,1033 6.378,1034 9.175,1035 1.879,1036 11.302,1037 5.839,1038 6.967,1039 7.84,1040 2.41,1041 12.994,1042 6.668,1043 10.518,1044 1.829,1045 13.055,1046 5.786,1047 8.485,1048 9.697,1049 3.363,1050 15.633,1051 8.128,1052 11.883,1053 1.415,1054 14.837,1055 4.956,1056 9.254,1057 10.543,1058 3.427,1059 17.791,1060 8.822,1061 13.265,1062 1.37,1063 16.644,1064 3.872,1065 10.538,1066 12.176,1067 4.191,1068 20.275,1069 10.046,1070 3.259,1071 1.293,1072 18.469,1073 3.008,1074 11.507,1075 13.233,1076 4.469,1077 22.591,1078 10.936,1079 3.133,1080 11.434,1081 20.31,1082 2.894,1083 12.698,1084 14.753,1085 5.121,1086 25.027,1087 12.064,1088 2.862,1089 11.103,1090 22.164,1091 4.064,1092 13.763,1093 15.934,1094 5.505,1095 27.406,1096 13.049,1097 2.716,1098 9.179,1099 24.028,1100 3.657,1101 14.922,1102 17.391,1103 6.094,1104 29.83,1105 14.14,1106 2.562,1107 7.732,1108 25.901,1109 3.616,1110 16.033,1111 18.649,1112 6.531,1113 32.234,1114 15.171,1115 2.516,1116 7.255,1117 27.782,1118 3.257,1119 17.184,1120 20.071,1121 7.084,1122 34.655,1123 16.249,1124 2.32,1125 7.003,1126 29.669,1127 3.141,1128 18.318,1129 21.378,1130 7.551,1131 37.07,1132 17.304,1133 43460,1134 63840,1135 37.274,1136 56.807,1137 79.995,1138 81.088,1139 80.417,1140 79.655,1141 79.605,1142 93.832,1143 13.766,1144 230.146,1145 75.111,1146 5.458,1147 5.562,1148 6.511,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 9.458,1156 1.509,1157 1.53,1158 1.517,1159 1.503,1160 1.502,1161 1.77,1162 0.26,1163 4.342,1164 1.417,1165 4.066,1166 4.116,1167 4.013,1168 3.921,1169 7.431,1170 3.933,1171 3.93,1172 3.969,1173 3.869,1174 3.82,1175 5.08,1176 3.825,1177 3.914,1178 3.965,1179 3.822,1180 3.789,1181 4.857,1182 3.794,1183 3.893,1184 3.932,1185 3.814,1186 3.754,1187 4.704,1188 3.76,1189 3.836,1190 3.894,1191 3.711,1192 3.676,1193 4.639,1194 3.674,1195 3.615,1196 3.672,1197 3.567,1198 3.394,1199 4.611,1200 3.435,1201 3.444,1202 3.494,1203 3.37,1204 3.216,1205 4.412,1206 3.229,1207 3.34,1208 3.397,1209 3.197,1210 3.091,1211 4.259,1212 3.128,1213 0.084,1214 0.067,1215 0.129,1216 0.079,1217 0.061,1218 4.458,1219 0.077,1220 3.562,1221 0.031,1222 6.853,1223 0.216,1224 4.184,1225 0.057,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.931,1232 1.901,1233 2.019,1234 2.069,1235 1.255,1236 2.048,1237 1.88,1238 1.855,1239 1.986,1240 2.006,1241 1.255,1242 1.997,1243 1.736,1244 1.684,1245 1.875,1246 1.937,1247 1.211,1248 1.926,1249 1.648,1250 1.599,1251 1.86,1252 1.886,1253 1.208,1254 1.872,1255 1.604,1256 1.543,1257 1.86,1258 1.832,1259 1.187,1260 1.835,1261 1.604,1262 1.543,1263 1.86,1264 1.76,1265 1.152,1266 1.798,1267 1.592,1268 1.518,1269 1.839,1270 1.76,1271 1.1,1272 1.798,1273 1.577,1274 1.507,1275 1.826,1276 1.751,1277 1.052,1278 1.793,1279 4.673,1281 6.009,1282 3.434,1283 7.531,1284 5.82,1285 9.142,1286 7.895,1287 10.802,1295 13.646,1296 5.833,1297 17.571,1299 1.155,1300 7.136,1305 53.986,1306 136.979,1307 303.801,1308 390.681,1309 430.43,1310 436.43,1311 438.43,1312 71.942,1313 9.527,1314 117.21,1315 117.21,1316 45,1317 13.199,1318 4.322,1319 3.459,1320 59.822,1321 298,1322 354,1323 0.094,1324 318.828,1325 561.94,1326 769.701,1327 244104,1329 30.873,1330 0.671,1331 0.568,1332 30.873,1333 26.144,1334 22.658,1335 0.428,1336 0.317,1337 16.495,1338 21.601,1339 16.287,1340 13.276,1341 22.658,1342 16.781,1343 20.524,1344 0.274,1345 0.173,1346 20.524,1347 12.997,1348 17.894,1349 0.174,1350 0.097,1351 17.894,1352 9.943,1353 15.916,1354 0.112,1355 0.053,1356 15.916,1357 7.553,1358 12.539,1359 0.071,1360 0.027,1361 12.539,1362 4.796,1363 0.154,1364 143.088,1365 0.164,1366 41.091,1367 0.24,1368 256,1369 691.479,1370 286.581,1371 650.49,1372 907.89,1373 618,1374 306,1375 680.476,1376 338.054,1377 678.688,1378 1010.9,1379 642,1380 6.41}
{0 CHEMBL1092398,1 1.618,2 16.857,3 3.481,4 12.12,5 154.666,6 7.451,7 0.375,8 4.475,9 4.591,10 4.049,11 3.941,12 5.515,13 3.949,14 5.073,15 5.238,16 4.438,17 4.373,18 6.104,19 4.354,20 5.36,21 5.581,22 4.48,23 4.528,24 6.3,25 4.471,26 5.348,27 5.594,28 4.391,29 4.449,30 6.304,31 4.379,32 5.234,33 5.477,34 4.405,35 4.382,36 6.317,37 4.349,38 5.143,39 5.33,40 4.436,41 4.421,42 6.178,43 4.392,44 5.247,45 5.446,46 4.463,47 4.557,48 6.23,49 4.499,50 5.408,51 5.606,52 4.463,53 4.718,54 6.298,55 4.594,56 0.11,57 1.193,58 16.419,59 6.716,60 12.167,61 8.92,62 0.704,63 1.97,64 33.648,65 11.853,66 54.344,67 15.827,68 0.939,69 2.41,70 48.234,71 14.583,72 70.598,73 21.447,74 0.784,75 2.354,76 48.724,77 14.199,78 67.559,79 21.639,80 0.969,81 2.173,82 43.395,83 11.029,84 93.221,85 17.464,86 0.536,87 2.132,88 36.229,89 11.67,90 49.442,91 16.761,92 0.923,93 2.34,94 40.698,95 13.344,96 62.659,97 19.232,98 0.511,99 2.61,100 46.687,101 20.84,102 64.28,103 28.32,104 8,105 68,106 0.247,107 0.549,108 0.662,109 0.724,110 0.736,111 0.74,112 3.765,113 0.916,114 -4.07,115 -4.02,116 -3.8,119 39,121 4,125 6,127 4,142 8,143 1,144 3,149 1,150 2,159 1,172 8,174 7,175 8,178 2,179 1,180 4,183 6,186 2,187 10,190 1,192 4,195 4,198 3,199 19,204 5,211 4,212 10,215 1,217 6,224 15,227 2,229 3,232 8,236 5,237 2,240 1,245 16,249 2,250 4,253 5,254 1,258 18,263 10,271 2,275 4104,276 29.281,277 29.281,278 29.281,279 29.281,280 29.281,281 27.095,282 44.033,283 17.35,284 30.163,285 23.749,286 23.749,287 23.749,288 23.749,289 23.749,290 20.341,291 68.732,292 8.259,293 25.255,294 4.649,295 2.679,296 1.935,297 1.532,298 1.455,299 1.429,300 4.491,306 1611,307 3.808,310 209.092,311 703.74,312 286.003,318 2.687,319 44.715,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 92.5,331 708,332 4.458,333 3.562,334 6.853,335 4.184,336 3.259,337 4.064,338 1.656,339 11.434,340 3.018,341 4.17,342 3.496,343 6.768,344 4.067,345 3.133,346 3.657,347 0.86,348 11.103,349 2.926,350 4.151,351 3.403,352 6.17,353 3.831,354 2.862,355 3.616,356 0.86,357 9.179,358 2.775,359 4.064,360 2.905,361 5.603,362 3.677,363 2.715,364 3.257,365 0.86,366 7.732,367 2.607,368 3.852,369 2.886,370 5.459,371 3.493,372 2.538,373 3.141,374 0.8,375 7.25,376 2.418,377 3.631,378 2.557,379 5.378,380 3.269,381 2.326,382 2.888,383 0.8,384 6.89,385 2.186,386 3.473,387 2.426,388 5.175,389 3.125,390 2.183,391 2.703,392 0.247,393 6.491,394 2.05,395 3.25,396 2.321,397 5.086,398 2.851,399 1.924,400 2.442,402 5.839,403 1.822,404 3.158,405 2.276,406 5.086,407 2.851,408 1.879,409 2.302,411 5.839,412 1.822,413 2.879,414 2.016,415 5.066,416 2.839,417 1.879,418 1.879,420 5.786,421 1.789,422 2.879,423 2.016,424 4.627,425 2.819,426 1.834,427 1.879,428 4.956,429 1.759,430 2.766,431 1.933,432 4.299,433 2.333,434 1.416,435 1.87,436 3.872,437 1.286,438 2.5,439 1.825,440 3.899,441 2.285,442 1.368,443 1.5,445 2.894,446 1.255,447 2.5,448 1.737,449 3.809,450 2.167,451 1.293,452 1.5,454 2.845,455 1.12,456 2.473,457 1.386,458 3.533,459 2.166,460 1.269,461 1.472,463 2.647,464 1.12,465 19.467,466 0.463,467 0.876,468 0.021,469 52,470 1.238,471 22,472 0.524,473 30,474 0.714,475 41.659,476 0.992,477 46.533,478 0.604,479 43.245,480 1.03,481 9.778,482 0.233,483 10.863,484 0.259,485 0.034,487 0.349,493 0.897,494 1.526,495 0.772,496 1.216,497 0.74,498 1.004,499 1.047,500 1.093,501 0.96,502 1.043,503 0.734,504 1.006,505 1.03,506 1.113,507 1.009,508 0.973,509 0.801,510 0.976,511 0.946,512 1.195,513 0.951,514 1.01,515 0.766,516 0.979,517 1.006,518 0.877,519 0.931,520 0.682,521 1.232,522 0.738,523 1.037,524 1.291,525 1.014,526 1.082,527 1.161,528 1.035,529 0.828,530 0.85,531 1.121,532 0.899,533 0.699,534 1.009,535 0.384,536 1.159,537 1.052,538 1.452,539 0.405,540 1.41,541 7.5,542 0.123,543 4,544 2.438,545 1.3,546 1.367,547 1.105,548 0.637,549 0.323,550 0.421,551 34576,552 87200,553 2.215,554 45.5,556 24,559 3,561 8,564 1.81,565 2.136,566 3.857,567 0.772,573 124.55,574 1.618,575 3.588,576 4.331,577 4.734,578 4.812,579 4.838,580 3.317,581 4.154,582 5.356,583 4.166,584 3586.95,585 9.467,586 65948.6,591 482.543,592 1.166,593 5.35,594 0.156,595 0.003,596 0.059,597 0.035,598 0.021,599 0.021,600 0.016,601 0.009,602 0.005,603 0.009,604 0.335,605 0.33,606 0.63,607 0.723,608 242.769,609 -0.074,610 -0.27,611 0.071,612 -0.097,613 -0.045,614 -0.002,615 0.012,616 0.054,617 -0.029,618 -0.017,619 0.04,620 -0.045,621 -0.064,622 -0.064,623 -0.038,624 0.004,625 -0.011,626 -0.007,627 -0.065,628 -0.178,629 0.032,630 -0.055,631 0.006,632 -0.006,633 -0.058,634 0.222,635 0.06,636 0.218,637 -0.063,638 0.184,639 -0.145,640 -0.132,641 -0.091,642 -0.08,643 -0.128,644 -0.075,645 -0.034,646 0.327,647 -0.209,648 0.101,649 -0.039,650 -0.044,651 0.151,652 -0.107,653 -0.184,654 -0.319,655 0.108,656 -0.327,657 2.026,658 5.617,659 0.81,660 58.748,661 1.009,662 1.134,663 2.839,664 8.061,665 0.649,666 3.892,667 4.234,668 4.554,669 4.883,670 5.13,671 5.278,672 5.46,673 5.666,674 5.849,675 6.038,676 9.507,677 0.625,678 573.72,679 3.892,680 5.451,681 6.323,682 7.217,683 8.104,684 9.007,685 9.902,686 10.81,687 11.71,688 12.621,689 9.1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,729 1,731 77,733 19,734 2,735 48,737 83,738 30,739 15,740 4,741 8,746 7,747 9,751 1,752 1,755 8,758 8,761 16,762 14,766 1,771 1,775 1,781 35,782 12,783 3,784 12,790 7,794 0.714,795 5,796 1,808 2,811 2,812 5,813 2,838 1,839 2,840 5,848 42,853 1,854 10,855 2,856 3,858 4,859 2,870 6.5,871 1,873 1,874 2,875 1,877 19.667,878 13.367,879 9.111,880 4.774,881 3.235,882 1.353,883 0.977,884 8.039,885 12.399,886 4.078,887 4.61,888 5.131,889 5.696,890 6.231,891 6.506,892 6.948,893 7.357,894 7.69,895 8.077,896 0.909,897 69,898 15.621,900 6.852,901 7.671,902 30.284,904 26.049,905 2.171,906 91.167,910 376.675,911 133.254,912 92.627,914 100.828,917 133.254,918 477.503,919 92.627,921 69.122,922 118.493,923 97.501,924 33.519,925 8.074,926 376.675,928 376.675,929 225.881,930 100.828,933 284.834,934 130.314,935 64.683,937 72.92,938 100.277,939 50.357,941 376.675,942 193.455,943 133.254,946 376.675,947 57.444,948 82.059,949 36.022,950 151.185,951 376.675,952 193.455,953 133.254,955 0.579,956 0.341,957 0.194,958 0.106,959 35,960 14,961 0.096,962 8,963 4,964 1.176,965 5.27,966 446.525,967 0.235,968 32,969 186.477,974 27.652,975 12.21,976 5.891,978 193.455,979 14.506,980 14.983,984 4.79,986 78.705,987 703.384,988 58,993 12.617,997 -0.359,999 77.72,1000 87.348,1001 0.258,1002 0.572,1003 0.691,1004 0.755,1005 0.768,1006 0.772,1007 5.349,1008 1.924,1009 6.301,1010 6.491,1011 4.92,1012 5.298,1013 2.498,1014 7.128,1015 4.804,1016 6.51,1017 1.879,1018 7.86,1019 5.839,1020 4.443,1021 4.966,1022 1.404,1023 8.036,1024 4.282,1025 7.797,1026 1.879,1027 9.518,1028 5.839,1029 6.524,1030 7.342,1031 2.734,1032 11.172,1033 6.292,1034 9.113,1035 1.834,1036 11.237,1037 5.786,1038 6.899,1039 7.812,1040 2.382,1041 12.964,1042 6.608,1043 10.462,1044 1.416,1045 12.998,1046 4.956,1047 8.414,1048 9.676,1049 3.353,1050 15.61,1051 8.061,1052 11.833,1053 1.368,1054 14.788,1055 3.872,1056 9.199,1057 10.528,1058 3.421,1059 17.777,1060 8.774,1061 13.221,1062 1.293,1063 16.602,1064 2.894,1065 10.485,1066 12.166,1067 4.188,1068 20.265,1069 9.997,1070 3.259,1071 1.269,1072 18.433,1073 2.845,1074 11.466,1075 13.226,1076 4.467,1077 22.585,1078 10.901,1079 3.133,1080 11.434,1081 20.28,1082 2.647,1083 12.661,1084 14.748,1085 5.121,1086 25.023,1087 12.031,1088 2.862,1089 11.103,1090 22.139,1091 4.064,1092 13.734,1093 15.931,1094 5.504,1095 27.404,1096 13.024,1097 2.715,1098 9.179,1099 24.007,1100 3.657,1101 14.897,1102 17.389,1103 6.093,1104 29.828,1105 14.117,1106 2.538,1107 7.732,1108 25.884,1109 3.616,1110 16.013,1111 18.648,1112 6.531,1113 32.233,1114 15.154,1115 2.326,1116 7.25,1117 27.768,1118 3.257,1119 17.167,1120 20.07,1121 7.084,1122 34.655,1123 16.235,1124 2.183,1125 6.89,1126 29.657,1127 3.141,1128 18.304,1129 21.377,1130 7.551,1131 37.07,1132 17.292,1133 31368,1134 49944,1135 33.402,1136 49.972,1137 72.414,1138 73.957,1139 73.853,1140 71.951,1141 71.981,1142 86.216,1143 12.166,1144 209.384,1145 67.792,1146 5.458,1147 5.562,1148 6.717,1149 5.288,1150 5.259,1151 7.064,1152 2.912,1153 18.517,1154 5.018,1155 13.418,1156 1.509,1157 1.541,1158 1.539,1159 1.499,1160 1.5,1161 1.796,1162 0.253,1163 4.362,1164 1.412,1165 4.062,1166 4.112,1167 4.011,1168 3.918,1169 7.431,1170 3.931,1171 3.925,1172 3.965,1173 3.866,1174 3.818,1175 6.457,1176 3.823,1177 3.914,1178 3.96,1179 3.82,1180 3.789,1181 5.079,1182 3.793,1183 3.887,1184 3.917,1185 3.814,1186 3.754,1187 4.85,1188 3.76,1189 3.615,1190 3.672,1191 3.567,1192 3.394,1193 4.704,1194 3.435,1195 3.513,1196 3.56,1197 3.4,1198 3.266,1199 4.639,1200 3.282,1201 3.373,1202 3.417,1203 3.283,1204 3.097,1205 4.61,1206 3.147,1207 3.144,1208 3.206,1209 2.957,1210 2.951,1211 4.341,1212 2.926,1213 0.093,1214 0.074,1215 0.143,1216 0.087,1217 0.068,1218 4.458,1219 0.085,1220 3.562,1221 0.035,1222 6.853,1223 0.238,1224 4.184,1225 0.063,1226 3.259,1227 4.064,1228 1.656,1229 11.434,1230 3.018,1231 1.931,1232 1.901,1233 2.019,1234 2.069,1235 1.255,1236 2.048,1237 1.879,1238 1.855,1239 1.984,1240 2.004,1241 1.255,1242 1.995,1243 1.736,1244 1.684,1245 1.875,1246 1.936,1247 1.208,1248 1.926,1249 1.648,1250 1.599,1251 1.86,1252 1.886,1253 1.187,1254 1.872,1255 1.604,1256 1.543,1257 1.86,1258 1.76,1259 1.101,1260 1.798,1261 1.604,1262 1.543,1263 1.839,1264 1.76,1265 1.07,1266 1.798,1267 1.45,1268 1.4,1269 1.72,1270 1.731,1271 0.931,1272 1.72,1273 1.429,1274 1.376,1275 1.532,1276 1.685,1277 0.514,1278 1.654,1279 4.575,1281 5.911,1282 3.045,1283 7.441,1284 5.533,1285 9.063,1286 7.678,1287 10.735,1294 8.886,1295 7.252,1296 5.689,1297 17.004,1299 1.121,1300 4.679,1305 48.099,1306 124.55,1307 276.239,1308 333.523,1309 364.543,1310 370.543,1311 372.543,1312 69.069,1313 9.164,1314 134.2,1315 134.2,1316 40,1317 13.138,1318 4.322,1319 3.459,1320 56.445,1321 234,1322 330,1323 0.113,1324 285.054,1325 502.89,1326 687.292,1327 144022,1329 28.468,1330 0.678,1331 0.555,1332 28.468,1333 23.316,1334 20.64,1335 0.43,1336 0.305,1337 14.373,1338 19.602,1339 14.208,1340 11.569,1341 20.64,1342 14.648,1343 18.585,1344 0.273,1345 0.164,1346 18.585,1347 11.171,1348 16.16,1349 0.172,1350 0.09,1351 16.16,1352 8.428,1353 14.414,1354 0.11,1355 0.049,1356 14.414,1357 6.418,1358 11.882,1359 0.071,1360 0.026,1361 11.882,1362 4.323,1363 0.182,1364 131.077,1365 0.173,1366 37.759,1367 0.297,1368 232,1369 679.983,1370 261.938,1371 635.307,1372 877.47,1373 602,1374 278,1375 647.879,1376 308.608,1377 645.328,1378 960.86,1379 610,1380 6.017}
{0 CHEMBL1092401,1 1.717,2 19.191,3 3.844,4 14.778,5 170.479,6 7.747,7 0.423,8 4.544,9 4.67,10 4.136,11 4.009,12 5.644,13 4.018,14 5.136,15 5.322,16 4.562,17 4.418,18 6.499,19 4.412,20 5.381,21 5.595,22 4.572,23 4.598,24 6.459,25 4.548,26 5.472,27 5.71,28 4.578,29 4.624,30 6.56,31 4.561,32 5.469,33 5.706,34 4.589,35 4.593,36 6.646,37 4.54,38 5.388,39 5.625,40 4.501,41 4.559,42 6.45,43 4.497,44 5.321,45 5.537,46 4.506,47 4.53,48 6.478,49 4.463,50 5.349,51 5.579,52 4.451,53 4.464,54 6.574,55 4.393,56 0.17,57 1.501,58 16.377,59 7.188,60 25.744,61 9.365,62 1.322,63 2.707,64 35.966,65 11.816,66 165.3,67 15.959,68 1.135,69 2.768,70 47.478,71 15.353,72 100.074,73 21.664,74 1.017,75 2.857,76 53.684,77 17.414,78 110.255,79 24.884,80 1.275,81 2.96,82 55.111,83 17.433,84 159.627,85 24.357,86 1.085,87 2.724,88 49.753,89 16.261,90 105.353,91 22.629,92 1.05,93 2.691,94 44.512,95 15.854,96 85.997,97 22.155,98 1.091,99 2.695,100 48.135,101 17.335,102 143.569,103 23.001,104 55,105 75,106 0.257,107 0.576,108 0.726,109 0.783,110 0.797,111 0.808,112 3.874,113 0.897,114 -5.07,115 -4.97,116 -4.66,119 39.3,121 2,124 2,125 7,127 1,132 1,142 9,143 3,144 2,147 1,149 1,151 1,158 1,159 1,161 1,172 9,174 4,175 13,178 2,179 1,180 4,183 9,186 1,187 11,192 4,195 4,198 4,199 16,204 6,207 3,211 1,212 9,217 4,220 7,223 1,224 8,227 4,229 2,232 12,236 2,237 3,245 10,249 4,250 4,253 6,255 3,258 8,263 2,268 1,271 4,275 5246,276 31.272,277 31.272,278 31.272,279 31.272,280 31.272,281 28.569,282 42.169,283 18.147,284 32.306,285 25.691,286 25.691,287 25.691,288 25.691,289 25.691,290 21.397,291 60.447,292 8.666,293 27.42,294 4.675,295 2.55,296 1.548,297 1.17,298 1.075,299 1.003,300 4.581,306 1975,307 4.899,310 135.407,311 847.419,314 237.659,318 3.115,319 67.428,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 105.5,331 902,332 4.681,333 4.269,334 6.856,335 4.219,336 3.288,337 4.629,338 3.02,339 11.454,340 3.089,341 4.268,342 3.694,343 6.458,344 3.974,345 3.09,346 3.806,347 1.656,348 10.182,349 2.934,350 4.197,351 3.562,352 6.396,353 3.921,354 2.994,355 3.789,356 1.2,357 9.685,358 2.737,359 4.11,360 3.342,361 6.107,362 3.766,363 2.795,364 3.358,365 0.86,366 8.937,367 2.603,368 3.924,369 2.971,370 6.039,371 3.679,372 2.72,373 3.235,374 0.8,375 8.65,376 2.547,377 3.832,378 2.893,379 5.913,380 3.569,381 2.623,382 3.118,383 0.8,384 8.149,385 2.498,386 3.77,387 2.788,388 5.575,389 3.52,390 2.606,391 3.012,392 0.293,393 7.641,394 2.313,395 3.687,396 2.581,397 5.363,398 3.354,399 2.392,400 2.757,401 0.247,402 6.984,403 2.293,404 3.406,405 2.416,406 5.15,407 3.045,408 2.084,409 2.611,411 6.137,412 1.996,413 3.154,414 2.313,415 5.091,416 2.863,417 1.944,418 2.278,420 5.74,421 1.792,422 3.138,423 2.299,424 4.655,425 2.807,426 1.822,427 2.236,428 5.011,429 1.759,430 2.953,431 1.873,432 4.409,433 2.439,434 1.481,435 2.14,436 4.24,437 1.415,438 2.709,439 1.867,440 4.341,441 2.33,442 1.439,443 1.78,445 3.842,446 1.272,447 2.527,448 1.535,449 3.919,450 2.268,451 1.302,452 1.5,454 3.111,455 1.251,456 2.5,457 1.407,458 3.761,459 2.074,460 1.153,461 1.5,463 2.905,464 1.057,465 21.557,466 0.459,467 1.394,468 0.03,469 57.25,470 1.218,471 24.5,472 0.521,473 32.75,474 0.697,475 47.028,476 1.001,477 52.843,478 0.629,479 55.627,480 1.184,481 11.469,482 0.244,483 11.066,484 0.235,485 0.117,486 0.023,487 0.329,490 3,493 0.664,494 1.327,495 0.714,496 1.231,497 0.554,498 1.032,499 0.654,500 0.833,501 0.814,502 0.879,503 0.398,504 0.878,505 0.842,506 0.919,507 1.007,508 1.017,509 0.746,510 1.044,511 0.722,512 0.882,513 0.891,514 1.011,515 0.698,516 0.995,517 0.889,518 0.946,519 0.891,520 0.967,521 0.969,522 0.941,523 0.808,524 0.857,525 0.936,526 0.929,527 0.76,528 0.953,529 0.6,530 0.903,531 0.91,532 1.157,533 0.612,534 1.136,535 0.758,536 1.076,537 0.886,538 1.169,539 0.856,540 1.106,541 11,542 0.397,543 5.556,544 3.257,545 2.612,546 2.216,547 1.314,548 0.875,549 0.666,550 0.495,551 48087,552 136113,553 2.084,554 44,556 30,557 1,559 2,562 4,564 1.832,565 1.938,566 4.128,567 0.158,573 144.23,574 1.717,575 3.842,576 4.845,577 5.223,578 5.318,579 5.389,580 3.568,581 4.969,582 5.525,583 4.42,584 4778.31,585 9.773,586 100508,591 536.955,592 1.548,593 5.476,594 0.212,595 0.009,596 0.074,597 0.043,598 0.035,599 0.03,600 0.019,601 0.013,602 0.011,603 0.009,604 0.453,605 0.17,606 0.63,607 0.839,608 284.863,609 -0.047,610 -0.249,611 0.054,612 -0.126,613 -0.057,614 -0.031,615 0.243,616 0.229,617 0.087,618 0.115,619 0.33,620 0.069,621 -0.051,622 0.024,623 -0.095,624 -0.022,625 -0.044,626 -0.061,627 -0.026,628 -0.065,629 0.036,630 -0.037,631 0.002,632 0.007,633 -0.005,634 -0.041,635 0.077,636 0.022,637 -0.012,638 0.06,639 -0.038,640 0.037,641 0.001,642 0.055,643 -0.039,644 0.046,645 0.151,646 0.032,647 -0.001,648 -0.128,649 0.067,650 -0.119,651 0.129,652 -0.152,653 0.078,654 -0.142,655 0.088,656 -0.08,657 5.66,658 5.952,659 0.702,660 75.337,661 1.018,662 1.146,663 3.844,664 14.777,665 0.648,666 3.97,667 4.331,668 4.575,669 4.852,670 5.112,671 5.257,672 5.476,673 5.598,674 5.7,675 5.835,676 11.287,677 0.63,678 650.78,679 3.97,680 5.541,681 6.392,682 7.284,683 8.153,684 9.049,685 9.928,686 10.827,687 11.713,688 12.614,689 9.5,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,719 1,726 1,731 84,733 24,734 2,735 52,737 89,738 33,739 18,740 4,741 8,742 1,746 6,747 7,751 1,752 1,755 3,757 1,758 3,761 20,762 13,766 2,771 2,775 2,779 3,781 37,782 13,783 2,784 14,790 8,794 0.833,795 3,806 1,807 1,811 1,812 5,815 1,836 1,839 1,840 5,844 2,846 3,848 47,854 9,855 2,856 1,858 1,859 3,860 1,869 3,870 3.6,873 2,874 1,877 24.25,878 15.545,879 10.014,880 5.004,881 4.321,882 1.462,883 0.993,884 9.923,885 13.672,886 4.19,887 4.773,888 5.322,889 5.919,890 6.477,891 6.868,892 7.362,893 7.783,894 8.097,895 8.503,896 1,897 76,898 17.951,900 8.208,901 7.995,902 32.939,904 27.439,905 2.495,906 117.25,910 411.989,911 173.478,912 80.865,914 61.29,915 44.88,917 173.478,918 473.278,919 125.745,920 16.793,921 63.928,922 94.334,923 101.281,924 69.814,925 18.375,926 400.217,927 7.76,928 411.989,929 254.342,930 106.17,933 367.232,934 142.255,935 11,937 78.426,938 140.017,939 33.571,941 456.869,942 142.154,943 173.478,946 419.748,947 54.592,948 122.398,949 36.022,950 139.741,951 411.989,952 187.035,953 173.478,955 0.592,956 0.329,957 0.175,958 0.098,959 36,960 17,961 0.079,962 7,963 1,964 1.061,965 5.551,966 494.314,967 0.061,968 33,969 238.311,974 33.072,975 14.103,976 8.004,977 0.73,978 185.136,979 16.55,980 9.263,984 2.998,985 1.085,986 36.022,987 772.501,988 65,993 25.693,997 -0.494,999 85.472,1000 96.277,1001 0.269,1002 0.601,1003 0.758,1004 0.817,1005 0.832,1006 0.843,1007 5.466,1008 2.392,1009 6.409,1010 7.641,1011 5.017,1012 5.462,1013 3.249,1014 7.241,1015 4.899,1016 6.674,1017 2.084,1018 7.984,1019 6.984,1020 4.745,1021 5.338,1022 3.223,1023 8.271,1024 4.505,1025 7.989,1026 1.944,1027 9.66,1028 6.137,1029 6.668,1030 7.627,1031 4.703,1032 11.296,1033 6.422,1034 9.335,1035 1.822,1036 11.394,1037 5.74,1038 7.171,1039 8.315,1040 5.51,1041 13.103,1042 6.809,1043 10.712,1044 1.481,1045 13.164,1046 5.011,1047 8.603,1048 10.132,1049 6.702,1050 15.689,1051 8.222,1052 12.111,1053 1.439,1054 14.958,1055 4.24,1056 9.444,1057 11.215,1058 7.735,1059 17.814,1060 8.963,1061 13.527,1062 1.302,1063 16.77,1064 3.842,1065 10.689,1066 12.844,1067 8.86,1068 20.26,1069 10.173,1070 3.288,1071 1.153,1072 18.594,1073 3.111,1074 11.687,1075 14.137,1076 9.948,1077 22.529,1078 11.087,1079 3.09,1080 11.454,1081 20.429,1082 2.905,1083 12.86,1084 15.689,1085 11.057,1086 24.932,1087 12.214,1088 2.994,1089 10.182,1090 22.273,1091 4.629,1092 13.934,1093 17.093,1094 12.158,1095 27.27,1096 13.215,1097 2.795,1098 9.685,1099 24.123,1100 3.806,1101 15.083,1102 18.619,1103 13.264,1104 29.667,1105 14.312,1106 2.72,1107 8.937,1108 25.979,1109 3.789,1110 16.194,1111 20.081,1112 14.368,1113 32.041,1114 15.357,1115 2.623,1116 8.65,1117 27.841,1118 3.358,1119 17.339,1120 21.6,1121 15.474,1122 34.442,1123 16.446,1124 2.606,1125 8.149,1126 29.707,1127 3.235,1128 18.472,1129 23.093,1130 16.579,1131 36.836,1132 17.516,1133 44806,1134 75986,1135 34.501,1136 54.404,1137 79.778,1138 80.829,1139 80.456,1140 79.182,1141 78.876,1142 97.534,1143 17.752,1144 232.009,1145 74.248,1146 5.681,1147 6.269,1148 6.658,1149 5.323,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.089,1155 26.834,1156 1.534,1157 1.554,1158 1.547,1159 1.523,1160 1.517,1161 1.876,1162 0.341,1163 4.462,1164 1.428,1165 4.146,1166 4.191,1167 4.12,1168 4.008,1169 8.513,1170 4.03,1171 3.978,1172 4.018,1173 3.922,1174 3.875,1175 7.999,1176 3.881,1177 3.889,1178 3.928,1179 3.833,1180 3.809,1181 7.999,1182 3.81,1183 3.831,1184 3.882,1185 3.726,1186 3.691,1187 7.432,1188 3.691,1189 3.747,1190 3.806,1191 3.645,1192 3.518,1193 7.427,1194 3.537,1195 3.543,1196 3.598,1197 3.513,1198 3.272,1199 5.08,1200 3.316,1201 3.496,1202 3.567,1203 3.433,1204 3.232,1205 4.739,1206 3.265,1207 3.409,1208 3.465,1209 3.308,1210 3.149,1211 4.7,1212 3.18,1213 0.09,1214 0.082,1215 0.132,1216 0.081,1217 0.063,1218 4.681,1219 0.089,1220 4.269,1221 0.058,1222 6.856,1223 0.22,1224 4.219,1225 0.059,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.089,1231 1.953,1232 1.923,1233 2.06,1234 2.09,1235 1.411,1236 2.072,1237 1.923,1238 1.894,1239 2.03,1240 2.065,1241 1.223,1242 2.062,1243 1.817,1244 1.762,1245 1.984,1246 1.985,1247 1.111,1248 1.984,1249 1.795,1250 1.753,1251 1.934,1252 1.945,1253 1.089,1254 1.949,1255 1.64,1256 1.58,1257 1.779,1258 1.899,1259 0.993,1260 1.867,1261 1.558,1262 1.51,1263 1.728,1264 1.752,1265 0.857,1266 1.738,1267 1.428,1268 1.344,1269 1.716,1270 1.709,1271 0.835,1272 1.717,1273 1.292,1274 1.243,1275 1.513,1276 1.571,1277 0.825,1278 1.533,1279 4.654,1281 6.004,1282 2.398,1283 7.533,1284 4.727,1285 9.14,1286 6.843,1287 10.791,1289 4.118,1291 39.947,1295 4.236,1296 5.544,1297 5.453,1299 0.482,1300 6.055,1301 -4.41,1305 52.894,1306 144.23,1307 322.745,1308 406.941,1309 438.69,1310 446.69,1311 452.69,1312 109.947,1313 9.351,1314 107.86,1315 107.86,1316 35,1317 13.139,1318 4.644,1319 3.807,1320 73.695,1321 326,1322 338,1323 0.108,1324 317.766,1325 562.6,1326 767.11,1327 206269,1328 3.6,1329 33.131,1330 0.705,1331 0.559,1332 30.631,1333 26.257,1334 22.536,1335 0.433,1336 0.299,1337 15.216,1338 21.303,1339 14.935,1340 12.249,1341 21.389,1342 15.545,1343 21.64,1344 0.289,1345 0.16,1346 19.283,1347 11.987,1348 17.023,1349 0.177,1350 0.089,1351 16.673,1352 8.532,1353 14.384,1354 0.113,1355 0.047,1356 13.851,1357 5.975,1358 11.741,1359 0.071,1360 0.025,1361 11.175,1362 4.05,1363 0.178,1364 143.721,1365 0.17,1366 41.803,1367 0.275,1368 254,1369 926.076,1370 295.864,1371 804.522,1372 1068.56,1373 750,1374 298,1375 762.613,1376 333.759,1377 749.211,1378 1117.44,1379 703,1380 8.222}
{0 CHEMBL1092402,1 1.564,2 18.049,3 3.008,4 9.046,5 157.449,6 7.23,7 0.489,8 4.439,9 4.574,10 3.981,11 3.911,12 5.511,13 3.903,14 4.991,15 5.189,16 4.327,17 4.297,18 6.044,19 4.267,20 5.211,21 5.428,22 4.381,23 4.448,24 6.23,25 4.387,26 5.291,27 5.537,28 4.367,29 4.452,30 6.321,31 4.377,32 5.249,33 5.484,34 4.341,35 4.43,36 6.298,37 4.363,38 5.195,39 5.412,40 4.339,41 4.448,42 6.218,43 4.374,44 5.232,45 5.451,46 4.258,47 4.462,48 6.228,49 4.366,50 5.244,51 5.488,52 4.14,53 4.426,54 6.274,55 4.276,56 0.042,57 1.199,58 16.594,59 6.264,60 9.954,61 8.955,62 0.566,63 1.866,64 32.177,65 10.103,66 41.379,67 14.887,68 0.497,69 2.203,70 40.882,71 12.919,72 52.387,73 19.271,74 0.528,75 2.277,76 45.545,77 14.013,78 73.302,79 21.283,80 0.644,81 2.171,82 43.759,83 13.143,84 80.15,85 19.744,86 0.498,87 2.148,88 40.001,89 13.537,90 55.143,91 19.666,92 0.579,93 2.154,94 41.953,95 14.16,96 63.529,97 20.481,98 0.645,99 2.075,100 42.981,101 16.536,102 96.528,103 23.783,104 34,105 62,106 0.239,107 0.567,108 0.722,109 0.793,110 0.809,111 0.821,112 3.741,113 0.921,114 -4.24,115 -4.18,116 -3.95,119 39,120 1,124 2,125 7,142 9,143 3,144 2,147 1,149 1,151 1,158 1,159 1,161 1,172 9,174 3,175 9,178 3,179 1,180 5,183 8,186 1,187 9,190 1,192 6,195 4,198 3,199 13,204 8,207 3,211 2,212 10,217 4,220 3,224 11,227 3,228 1,229 2,232 9,236 2,237 3,245 12,249 3,250 2,253 6,254 1,255 1,258 10,263 3,266 1,268 1,271 4,275 3658,276 27.886,277 27.886,278 27.886,279 27.886,280 27.886,281 25.157,282 35.751,283 16.556,284 28.649,285 22.178,286 22.178,287 22.178,288 22.178,289 22.178,290 17.818,291 45.652,292 7.828,293 23.323,294 4.702,295 2.547,296 1.533,297 1.068,298 0.964,299 0.887,300 4.445,306 1607,307 4.472,310 116.322,311 565.76,314 203.452,318 2.926,319 36.768,322 0.5,323 0.67,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89,331 740,332 4.673,333 3.568,334 6.84,335 4.201,336 3.254,337 4.627,338 1.656,339 11.391,340 3.084,341 4.199,342 3.55,343 6.11,344 3.835,345 2.838,346 3.795,347 1.058,348 8.946,349 2.829,350 4.167,351 3.348,352 6.095,353 3.772,354 2.791,355 3.77,356 0.86,357 8.804,358 2.731,359 3.915,360 2.906,361 6.03,362 3.584,363 2.671,364 3.312,365 0.8,366 8.596,367 2.495,368 3.865,369 2.796,370 5.557,371 3.555,372 2.587,373 3.187,374 0.8,375 7.59,376 2.435,377 3.696,378 2.584,379 5.31,380 3.319,381 2.351,382 3.069,383 0.247,384 6.872,385 2.272,386 3.367,387 2.559,388 5.12,389 3.132,390 2.215,391 2.59,393 5.793,394 2.03,395 3.221,396 2.417,397 4.685,398 2.937,399 1.996,400 2.279,402 5.203,403 1.897,404 3.183,405 2.318,406 4.653,407 2.886,408 1.9,409 2.232,411 5.079,412 1.834,413 2.962,414 1.908,415 4.416,416 2.479,417 1.522,418 2.158,420 4.262,421 1.453,422 2.84,423 1.892,424 4.351,425 2.421,426 1.498,427 1.887,428 3.864,429 1.397,430 2.744,431 1.535,432 4.164,433 2.395,434 1.446,435 1.817,436 3.779,437 1.341,438 2.5,439 1.498,440 3.761,441 2.079,442 1.164,443 1.5,445 2.905,446 1.059,447 2.5,448 1.32,449 3.43,450 2,451 1,452 1.5,454 2.275,455 1,456 2.473,457 1.256,458 3.414,459 2,460 1,461 1.466,463 2.275,464 1,465 19.2,466 0.468,467 0.938,468 0.023,469 52.75,470 1.287,471 24.5,472 0.598,473 28.25,474 0.689,475 36.742,476 0.896,477 45,478 0.584,479 46.34,480 1.13,481 10.646,482 0.26,483 9.26,484 0.226,485 0.113,487 0.323,493 0.847,494 1.597,495 0.813,496 1.223,497 0.606,498 1.036,499 0.993,500 1,501 0.904,502 0.863,503 0.577,504 0.86,505 1.088,506 1.18,507 1.004,508 1.03,509 0.918,510 1.004,511 0.97,512 1.073,513 0.925,514 0.982,515 1.05,516 0.944,517 1.193,518 0.991,519 1,520 0.895,521 1.402,522 0.907,523 0.967,524 1.045,525 1.027,526 1.064,527 0.96,528 1.052,529 1.113,530 1.032,531 1.181,532 1.104,533 1.151,534 1.145,535 0.367,536 1.028,537 1.003,538 1.284,539 0.426,540 1.264,541 8,542 0.22,543 4.444,544 2.382,545 1.92,546 1.754,547 0.989,548 0.474,549 0.415,550 0.388,551 32616,552 80564,553 2.09,554 46.8,556 29,557 1,559 3,561 3,564 1.8,565 1.968,566 4.036,567 0.764,573 120.464,574 1.564,575 3.719,576 4.734,577 5.198,578 5.302,579 5.38,580 3.521,581 5.016,582 5.324,583 4.305,584 3530.42,585 9.373,586 67103.7,591 482.543,592 1.363,593 5.294,594 0.178,595 0.006,596 0.072,597 0.037,598 0.031,599 0.029,600 0.016,601 0.009,602 0.009,603 0.011,604 0.397,605 0.17,606 0.63,607 1.236,608 239.168,609 -0.049,610 -0.326,611 0.063,612 -0.125,613 -0.044,614 -0.03,615 0.058,616 0.156,617 0.056,618 0.126,619 0.096,620 0.093,621 -0.096,622 -0.1,623 -0.04,624 -0.031,625 -0.031,626 -0.028,627 -0.033,628 -0.049,629 0.055,630 -0.006,631 0.005,632 0.034,633 -0.108,634 0.042,635 -0.009,636 0.079,637 -0.108,638 0.059,639 -0.04,640 0.032,641 -0.074,642 -0.046,643 -0.023,644 -0.061,645 -0.134,646 0.019,647 -0.223,648 -0.082,649 -0.147,650 -0.152,651 0.324,652 -0.061,653 -0.065,654 -0.221,655 0.269,656 -0.215,657 2.047,658 5.619,659 0.659,660 62.051,661 1.002,662 1.135,663 3.007,664 9.04,665 0.65,666 3.829,667 4.143,668 4.407,669 4.673,670 4.92,671 5.063,672 5.247,673 5.38,674 5.46,675 5.587,676 10.379,677 0.619,678 556.74,679 3.829,680 5.371,681 6.217,682 7.091,683 7.958,684 8.841,685 9.719,686 10.609,687 11.495,688 12.39,689 10.4,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,718 1,726 1,731 77,733 24,734 2,735 45,737 81,738 30,739 18,740 4,741 8,742 1,746 5,747 6,751 1,752 1,761 20,762 10,766 2,771 2,775 2,781 36,782 10,783 3,784 11,790 8,794 0.8,795 3,806 1,807 1,811 1,812 4,815 1,836 1,839 1,840 4,844 3,848 41,854 7,855 3,856 1,859 2,870 3.9,873 2,874 1,877 20.833,878 14.583,879 9.083,880 4.66,881 4.256,882 1.486,883 0.988,884 9.393,885 13.007,886 4.078,887 4.656,888 5.241,889 5.847,890 6.405,891 6.789,892 7.26,893 7.682,894 7.975,895 8.378,896 0.917,897 64,898 15.184,900 6.373,901 7.699,902 29.118,904 23.525,905 2.199,906 90.167,910 388.446,911 169.474,912 95.751,914 61.29,917 169.474,918 449.736,919 95.751,920 25.618,921 73.746,922 94.334,923 101.281,924 24.933,925 18.375,926 376.675,928 388.446,929 265.225,930 61.29,933 355.461,934 85.603,935 11,937 89.309,938 140.017,939 33.571,941 388.446,942 157.041,943 169.474,946 388.446,947 49.523,948 128.099,949 54.032,950 94.861,951 388.446,952 157.041,953 169.474,955 0.576,956 0.329,957 0.177,958 0.097,959 28,960 13,961 0.111,962 9,963 1,964 1.074,965 5.163,966 399.771,967 0.074,968 27,969 203.66,974 28.864,975 13.342,976 7.169,977 1.933,978 155.142,979 18.379,980 9.833,984 4.16,985 2.12,986 54.032,987 714.961,988 58,993 24.884,997 -0.528,999 77.167,1000 87.427,1001 0.25,1002 0.593,1003 0.755,1004 0.83,1005 0.846,1006 0.859,1007 5.316,1008 1.996,1009 6.192,1010 5.793,1011 4.828,1012 5.345,1013 2.437,1014 6.987,1015 4.737,1016 6.508,1017 1.9,1018 7.739,1019 5.203,1020 4.369,1021 5.147,1022 1.404,1023 7.861,1024 4.246,1025 7.807,1026 1.522,1027 9.385,1028 5.079,1029 6.405,1030 7.533,1031 2.755,1032 10.959,1033 6.231,1034 9.143,1035 1.498,1036 11.091,1037 4.262,1038 6.77,1039 8.198,1040 2.382,1041 12.69,1042 6.565,1043 10.514,1044 1.446,1045 12.837,1046 3.864,1047 8.261,1048 10.061,1049 3.394,1050 15.31,1051 8.009,1052 11.909,1053 1.164,1054 14.612,1055 3.779,1056 9.014,1057 11.144,1058 3.421,1059 17.412,1060 8.728,1061 13.325,1062 1,1063 16.407,1064 2.905,1065 10.283,1066 12.795,1067 4.218,1068 19.878,1069 9.952,1070 3.254,1071 1,1072 18.22,1073 2.275,1074 11.231,1075 14.093,1076 4.467,1077 22.15,1078 10.859,1079 2.838,1080 11.391,1081 20.045,1082 2.275,1083 12.411,1084 15.657,1085 5.136,1086 24.572,1087 11.994,1088 2.791,1089 8.946,1090 21.882,1091 4.627,1092 13.458,1093 17.065,1094 5.504,1095 26.923,1096 12.994,1097 2.671,1098 8.804,1099 23.729,1100 3.795,1101 14.608,1102 18.596,1103 6.101,1104 29.337,1105 14.096,1106 2.587,1107 8.596,1108 25.584,1109 3.77,1110 15.705,1111 20.061,1112 6.531,1113 31.727,1114 15.143,1115 2.351,1116 7.59,1117 27.446,1118 3.312,1119 16.849,1120 21.582,1121 7.087,1122 34.144,1123 16.235,1124 2.215,1125 6.872,1126 29.314,1127 3.187,1128 17.975,1129 23.077,1130 7.551,1131 36.554,1132 17.307,1133 30861,1134 48701,1135 30.224,1136 50.069,1137 67.139,1138 68.741,1139 68.707,1140 66.753,1141 66.753,1142 85.426,1143 10.843,1144 188.977,1145 63.718,1146 5.673,1147 5.568,1148 6.642,1149 5.305,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.084,1155 20.962,1156 1.492,1157 1.528,1158 1.527,1159 1.483,1160 1.483,1161 1.898,1162 0.241,1163 4.199,1164 1.416,1165 4.142,1166 4.187,1167 4.114,1168 4.006,1169 7.432,1170 4.027,1171 3.955,1172 3.988,1173 3.904,1174 3.864,1175 7.428,1176 3.869,1177 3.881,1178 3.913,1179 3.825,1180 3.808,1181 5.083,1182 3.809,1183 3.744,1184 3.805,1185 3.629,1186 3.519,1187 4.74,1188 3.536,1189 3.692,1190 3.776,1191 3.561,1192 3.467,1193 4.702,1194 3.477,1195 3.501,1196 3.558,1197 3.436,1198 3.271,1199 4.615,1200 3.292,1201 3.425,1202 3.496,1203 3.305,1204 3.2,1205 4.39,1206 3.22,1207 3.329,1208 3.4,1209 3.211,1210 3.092,1211 4.349,1212 3.109,1213 0.104,1214 0.079,1215 0.152,1216 0.093,1217 0.072,1218 4.673,1219 0.103,1220 3.568,1221 0.037,1222 6.84,1223 0.253,1224 4.201,1225 0.069,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.084,1231 1.953,1232 1.923,1233 2.033,1234 2.09,1235 1.223,1236 2.07,1237 1.909,1238 1.884,1239 2.008,1240 2.025,1241 1.139,1242 2.019,1243 1.797,1244 1.758,1245 1.935,1246 1.956,1247 1.114,1248 1.954,1249 1.659,1250 1.59,1251 1.894,1252 1.9,1253 1.077,1254 1.901,1255 1.642,1256 1.558,1257 1.881,1258 1.888,1259 1.062,1260 1.89,1261 1.565,1262 1.515,1263 1.725,1264 1.749,1265 0.869,1266 1.745,1267 1.352,1268 1.295,1269 1.619,1270 1.643,1271 0.825,1272 1.626,1273 1.26,1274 1.189,1275 1.513,1276 1.53,1277 0.727,1278 1.514,1279 4.511,1281 5.826,1282 2.398,1283 7.33,1284 4.727,1285 8.92,1286 6.843,1287 10.561,1289 6.003,1295 5.059,1296 8.528,1297 5.543,1300 4.252,1305 47.691,1306 120.464,1307 286.388,1308 364.529,1309 400.278,1310 408.278,1311 414.278,1312 74.888,1313 8.751,1314 116.65,1315 116.65,1316 29,1317 12.918,1318 4.644,1319 3.807,1320 66.966,1321 260,1322 285,1323 0.124,1324 292.788,1325 504.85,1326 706.163,1327 96982,1329 28.769,1330 0.702,1331 0.578,1332 28.769,1333 23.684,1334 19.906,1335 0.442,1336 0.307,1337 13.574,1338 18.986,1339 13.222,1340 10.986,1341 19.906,1342 13.82,1343 17.807,1344 0.287,1345 0.163,1346 17.807,1347 10.102,1348 14.672,1349 0.181,1350 0.085,1351 14.672,1352 6.9,1353 12.256,1354 0.116,1355 0.044,1356 12.256,1357 4.646,1358 9.839,1359 0.072,1360 0.023,1361 9.839,1362 3.089,1363 0.204,1364 125.61,1365 0.182,1366 37.595,1367 0.316,1368 214,1369 622.431,1370 237.82,1371 598.079,1372 821.48,1373 562,1374 250,1375 606.134,1376 274.436,1377 613.523,1378 899.95,1379 576,1380 8.745}
{0 CHEMBL1092403,1 1.562,2 18.048,3 3.032,4 9.194,5 160.376,6 7.292,7 0.468,8 4.463,9 4.593,10 4.02,11 3.946,12 5.512,13 3.939,14 5.033,15 5.228,16 4.386,17 4.351,18 6.06,19 4.323,20 5.275,21 5.493,22 4.451,23 4.519,24 6.267,25 4.459,26 5.346,27 5.583,28 4.418,29 4.523,30 6.38,31 4.445,32 5.306,33 5.543,34 4.384,35 4.488,36 6.342,37 4.415,38 5.22,39 5.432,40 4.356,41 4.494,42 6.22,43 4.413,44 5.269,45 5.501,46 4.26,47 4.484,48 6.21,49 4.377,50 5.241,51 5.49,52 4.138,53 4.405,54 6.252,55 4.258,56 0.033,57 1.231,58 16.656,59 6.457,60 9.174,61 9.095,62 0.573,63 1.973,64 33.137,65 10.49,66 38.433,67 15.308,68 0.523,69 2.364,70 43.343,71 13.845,72 49.573,73 20.432,74 0.548,75 2.417,76 47.674,77 15.361,78 77.985,79 22.613,80 0.677,81 2.286,82 46.451,83 14.502,84 86.094,85 21.315,86 0.483,87 2.239,88 40.383,89 14.192,90 53.676,91 20.349,92 0.54,93 2.231,94 43.629,95 14.986,96 56.467,97 21.827,98 0.674,99 2.071,100 43.137,101 16.154,102 93.923,103 23.362,104 18,105 66,106 0.237,107 0.551,108 0.703,109 0.788,110 0.804,111 0.815,112 3.764,113 0.922,114 -4.43,115 -4.36,116 -4.11,119 39.7,120 1,124 1,125 9,142 9,143 3,144 2,147 1,149 1,151 1,158 1,159 1,161 1,172 9,174 4,175 10,178 2,179 1,180 4,183 8,186 2,187 11,192 4,195 4,198 3,199 15,204 6,207 3,211 2,212 10,217 4,220 3,224 11,227 4,229 2,232 9,236 2,237 3,245 12,249 4,250 2,253 6,255 1,258 10,263 3,266 1,268 1,271 4,275 3798,276 28.833,277 28.833,278 28.833,279 28.833,280 28.833,281 26.13,282 37.485,283 16.904,284 29.648,285 23.146,286 23.146,287 23.146,288 23.146,289 23.146,290 18.813,291 49.105,292 7.982,293 24.38,294 4.724,295 2.659,296 1.658,297 1.096,298 0.994,299 0.917,300 4.479,306 1685,307 3.873,310 118.365,311 739.725,314 206.858,318 2.855,319 37.962,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 91,331 758,332 4.673,333 3.695,334 6.84,335 4.201,336 3.254,337 4.627,338 1.656,339 11.391,340 3.084,341 4.267,342 3.562,343 6.393,344 3.965,345 2.984,346 3.805,347 1.2,348 9.676,349 2.928,350 4.171,351 3.348,352 6.11,353 3.776,354 2.8,355 3.787,356 0.86,357 8.946,358 2.733,359 3.932,360 2.906,361 6.095,362 3.601,363 2.671,364 3.315,365 0.8,366 8.804,367 2.529,368 3.889,369 2.796,370 5.578,371 3.582,372 2.638,373 3.223,374 0.8,375 7.651,376 2.436,377 3.742,378 2.773,379 5.381,380 3.413,381 2.459,382 3.108,383 0.293,384 7.022,385 2.342,386 3.491,387 2.568,388 5.223,389 3.271,390 2.32,391 2.659,392 0.247,393 6.492,394 2.198,395 3.339,396 2.419,397 5.12,398 2.973,399 2.016,400 2.461,402 5.793,403 1.929,404 3.183,405 2.318,406 4.917,407 2.909,408 1.969,409 2.279,411 5.621,412 1.837,413 3.044,414 2.157,415 4.65,416 2.747,417 1.778,418 2.172,420 4.986,421 1.706,422 2.95,423 1.908,424 4.411,425 2.439,426 1.509,427 2.092,428 4.239,429 1.414,430 2.745,431 1.863,432 4.35,433 2.397,434 1.467,435 1.819,436 3.862,437 1.341,438 2.5,439 1.535,440 3.762,441 2.079,442 1.165,443 1.5,445 2.906,446 1.06,447 2.5,448 1.32,449 3.676,450 2,451 1,452 1.5,454 2.275,455 1,456 2.473,457 1.256,458 3.43,459 2,460 1,461 1.466,463 2.275,464 1,465 19.7,466 0.469,467 0.951,468 0.023,469 54,470 1.286,471 24.5,472 0.583,473 29.5,474 0.702,475 38.578,476 0.919,477 45.7,478 0.586,479 46.998,480 1.119,481 10.726,482 0.255,483 9.753,484 0.232,485 0.085,487 0.335,493 0.824,494 1.607,495 0.79,496 1.22,497 0.576,498 1.027,499 1.008,500 1.025,501 0.912,502 0.868,503 0.574,504 0.864,505 1.082,506 1.132,507 0.999,508 1,509 0.858,510 0.981,511 1.036,512 1.084,513 0.983,514 1.037,515 1.24,516 1.004,517 1.186,518 0.956,519 0.975,520 0.877,521 1.488,522 0.888,523 0.926,524 1.076,525 1.078,526 1.119,527 0.911,528 1.118,529 0.936,530 1.038,531 1.114,532 1.107,533 0.865,534 1.13,535 0.405,536 0.994,537 0.984,538 1.221,539 0.445,540 1.208,541 8,542 0.248,543 4.889,544 2.632,545 2.222,546 1.74,547 1.048,548 0.479,549 0.419,550 0.378,551 36400,552 86412,553 2.143,554 46.2,556 30,557 1,559 2,561 3,564 1.805,565 2.032,566 4.046,567 0.149,573 121.809,574 1.562,575 3.626,576 4.627,577 5.189,578 5.292,579 5.369,580 3.481,581 4.833,582 5.364,583 4.294,584 3697.13,585 9.445,586 71090.2,591 490.261,592 1.313,593 5.336,594 0.17,595 0.007,596 0.074,597 0.038,598 0.034,599 0.027,600 0.017,601 0.009,602 0.009,603 0.01,604 0.395,605 0.17,606 0.63,607 0.58,608 246.212,609 -0.035,610 -0.352,611 0.076,612 -0.135,613 -0.025,614 -0.032,615 0.046,616 0.135,617 0.042,618 0.111,619 0.08,620 0.079,621 -0.099,622 -0.056,623 -0.035,624 -0.011,625 -0.006,626 -0.011,627 -0.055,628 -0.066,629 -0.005,630 -0.051,631 -0.029,632 -0.024,633 -0.095,634 0.049,635 0.019,636 0.104,637 -0.107,638 0.085,639 -0.048,640 0.003,641 -0.137,642 -0.098,643 -0.05,644 -0.126,645 -0.068,646 -0.015,647 -0.158,648 -0.092,649 -0.079,650 -0.129,651 0.324,652 -0.04,653 -0.031,654 -0.181,655 0.267,656 -0.171,657 2.033,658 5.783,659 0.786,660 61.014,661 1.002,662 1.134,663 3.197,664 10.22,665 0.655,666 3.871,667 4.205,668 4.5,669 4.771,670 5.03,671 5.147,672 5.328,673 5.46,674 5.541,675 5.666,676 10.376,677 0.624,678 568.75,679 3.871,680 5.425,681 6.286,682 7.168,683 8.045,684 8.933,685 9.817,686 10.71,687 11.599,688 12.495,689 10.3,692 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,719 1,726 1,731 78,733 24,734 2,735 47,737 83,738 31,739 18,740 4,741 8,742 1,746 6,747 7,751 1,752 1,761 20,762 11,766 2,771 2,775 2,781 36,782 10,783 2,784 11,790 8,794 0.833,795 3,806 1,807 1,811 1,812 5,815 1,836 1,839 1,840 5,844 2,848 42,854 9,855 2,856 1,859 3,870 3.8,873 2,874 1,877 20.667,878 14.533,879 9.194,880 4.872,881 4.298,882 1.475,883 1.005,884 8.605,885 13.355,886 4.111,887 4.694,888 5.288,889 5.884,890 6.439,891 6.816,892 7.288,893 7.71,894 8.003,895 8.4,896 0.917,897 69,898 15.597,900 6.675,901 7.659,902 30.118,904 24.965,905 2.159,906 90.667,910 400.217,911 165.289,912 80.865,914 61.29,917 165.289,918 461.507,919 80.865,920 17.222,921 63.071,922 94.334,923 101.281,924 24.933,925 18.375,926 388.446,928 400.217,929 246.154,930 61.29,933 367.232,934 85.603,935 11,937 78.634,938 131.62,939 33.571,941 400.217,942 142.154,943 165.289,946 400.217,947 53.734,948 122.827,949 36.022,950 94.861,951 400.217,952 142.154,953 165.289,955 0.582,956 0.344,957 0.186,958 0.104,959 32,960 14,961 0.072,962 6,963 1,964 1.061,965 5.265,966 425.667,967 0.061,968 33,969 210.477,974 28.469,975 12.695,976 6.412,977 1.941,978 140.255,979 18.645,980 9.854,984 4.286,985 2.125,986 36.022,987 707.661,988 60,993 25.479,997 -0.351,999 78.167,1000 88.427,1001 0.248,1002 0.577,1003 0.736,1004 0.826,1005 0.842,1006 0.854,1007 5.364,1008 2.016,1009 6.267,1010 6.492,1011 4.89,1012 5.382,1013 2.491,1014 7.079,1015 4.795,1016 6.554,1017 1.969,1018 7.825,1019 5.793,1020 4.443,1021 5.182,1022 1.494,1023 7.97,1024 4.307,1025 7.857,1026 1.778,1027 9.481,1028 5.621,1029 6.488,1030 7.562,1031 2.818,1032 11.076,1033 6.303,1034 9.195,1035 1.509,1036 11.196,1037 4.986,1038 6.868,1039 8.228,1040 2.464,1041 12.811,1042 6.647,1043 10.568,1044 1.467,1045 12.949,1046 4.239,1047 8.361,1048 10.084,1049 3.455,1050 15.436,1051 8.094,1052 11.965,1053 1.165,1054 14.73,1055 3.862,1056 9.127,1057 11.166,1058 3.475,1059 17.534,1060 8.823,1061 13.381,1062 1,1063 16.531,1064 2.906,1065 10.397,1066 12.812,1067 4.264,1068 20,1069 10.049,1070 3.254,1071 1,1072 18.347,1073 2.275,1074 11.353,1075 14.109,1076 4.501,1077 22.264,1078 10.964,1079 2.984,1080 11.391,1081 20.177,1082 2.275,1083 12.534,1084 15.669,1085 5.166,1086 24.681,1087 12.102,1088 2.8,1089 9.676,1090 22.017,1091 4.627,1092 13.583,1093 17.077,1094 5.524,1095 27.022,1096 13.108,1097 2.671,1098 8.946,1099 23.865,1100 3.805,1101 14.733,1102 18.605,1103 6.118,1104 29.429,1105 14.213,1106 2.638,1107 8.804,1108 25.722,1109 3.787,1110 15.83,1111 20.07,1112 6.542,1113 31.809,1114 15.264,1115 2.459,1116 7.651,1117 27.585,1118 3.315,1119 16.973,1120 21.59,1121 7.097,1122 34.219,1123 16.359,1124 2.32,1125 7.022,1126 29.453,1127 3.223,1128 18.097,1129 23.084,1130 7.557,1131 36.619,1132 17.434,1133 33391,1134 51679,1135 32.016,1136 51.069,1137 70.826,1138 72.489,1139 72.465,1140 70.417,1141 70.387,1142 89.05,1143 11.712,1144 202.903,1145 67.103,1146 5.673,1147 5.695,1148 6.642,1149 5.305,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.084,1155 18.707,1156 1.507,1157 1.542,1158 1.542,1159 1.498,1160 1.498,1161 1.895,1162 0.249,1163 4.317,1164 1.428,1165 4.143,1166 4.188,1167 4.115,1168 4.007,1169 7.432,1170 4.028,1171 3.971,1172 4.009,1173 3.918,1174 3.871,1175 7.427,1176 3.877,1177 3.885,1178 3.921,1179 3.829,1180 3.809,1181 5.083,1182 3.809,1183 3.792,1184 3.856,1185 3.685,1186 3.6,1187 4.739,1188 3.611,1189 3.743,1190 3.803,1191 3.628,1192 3.518,1193 4.702,1194 3.535,1195 3.491,1196 3.55,1197 3.432,1198 3.27,1199 4.615,1200 3.288,1201 3.41,1202 3.472,1203 3.293,1204 3.185,1205 4.39,1206 3.208,1207 3.28,1208 3.351,1209 3.177,1210 3.059,1211 4.362,1212 3.077,1213 0.099,1214 0.079,1215 0.146,1216 0.089,1217 0.069,1218 4.673,1219 0.098,1220 3.695,1221 0.035,1222 6.84,1223 0.242,1224 4.201,1225 0.066,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.084,1231 1.953,1232 1.923,1233 2.036,1234 2.09,1235 1.287,1236 2.071,1237 1.917,1238 1.89,1239 2.022,1240 2.054,1241 1.223,1242 2.047,1243 1.798,1244 1.759,1245 1.952,1246 1.974,1247 1.114,1248 1.969,1249 1.748,1250 1.677,1251 1.934,1252 1.936,1253 1.084,1254 1.942,1255 1.659,1256 1.59,1257 1.881,1258 1.894,1259 1.062,1260 1.891,1261 1.565,1262 1.515,1263 1.725,1264 1.748,1265 0.869,1266 1.745,1267 1.317,1268 1.273,1269 1.555,1270 1.6,1271 0.825,1272 1.566,1273 1.229,1274 1.156,1275 1.513,1276 1.489,1277 0.825,1278 1.495,1279 4.554,1281 5.883,1282 2.398,1283 7.408,1284 4.727,1285 9.017,1286 6.843,1287 10.671,1289 4.161,1295 6.931,1296 5.709,1297 5.551,1300 6.336,1305 48.691,1306 121.809,1307 282.822,1308 360.919,1309 404.752,1310 412.752,1311 418.752,1312 71.62,1313 9.057,1314 107.86,1315 107.86,1316 35,1317 13.022,1318 4.644,1319 3.807,1320 62.175,1321 268,1322 280,1323 0.111,1324 294.987,1325 509.79,1326 711.528,1327 144882,1329 29.053,1330 0.692,1331 0.573,1332 29.053,1333 24.045,1334 20.479,1335 0.436,1336 0.307,1337 14.191,1338 19.54,1339 13.886,1340 11.441,1341 20.479,1342 14.442,1343 18.384,1344 0.279,1345 0.161,1346 18.384,1347 10.639,1348 15.974,1349 0.179,1350 0.088,1351 15.974,1352 7.831,1353 13.325,1354 0.114,1355 0.046,1356 13.325,1357 5.334,1358 10.971,1359 0.072,1360 0.025,1361 10.971,1362 3.728,1363 0.183,1364 129.082,1365 0.177,1366 38.251,1367 0.283,1368 226,1369 639.743,1370 250.847,1371 613.464,1372 849,1373 578,1374 268,1375 632.613,1376 294.294,1377 637.774,1378 942.24,1379 601,1380 8.569}
{0 CHEMBL1092404,1 1.576,2 17.341,3 2.496,4 6.231,5 155.082,6 7.396,7 0.478,8 4.429,9 4.559,10 3.996,11 3.916,12 5.487,13 3.913,14 4.993,15 5.18,16 4.358,17 4.32,18 6.04,19 4.293,20 5.244,21 5.469,22 4.42,23 4.469,24 6.242,25 4.414,26 5.264,27 5.49,28 4.394,29 4.464,30 6.334,31 4.4,32 5.234,33 5.453,34 4.367,35 4.453,36 6.315,37 4.389,38 5.204,39 5.418,40 4.325,41 4.471,42 6.197,43 4.388,44 5.234,45 5.47,46 4.226,47 4.451,48 6.154,49 4.341,50 5.209,51 5.464,52 4.098,53 4.355,54 6.221,55 4.209,56 0.053,57 1.191,58 15.725,59 6.154,60 8.797,61 8.553,62 0.547,63 1.906,64 31.112,65 10.19,66 37.546,67 14.603,68 0.564,69 2.272,70 42.2,71 13.194,72 51.287,73 19.471,74 0.555,75 2.267,76 43.226,77 13.857,78 73.812,79 20.111,80 0.631,81 2.178,82 42.073,83 13.59,84 83.767,85 19.487,86 0.523,87 2.197,88 39.556,89 13.88,90 55.126,91 19.8,92 0.505,93 2.17,94 41.745,95 14.52,96 47.443,97 21.225,98 0.696,99 1.989,100 42.07,101 15.542,102 93.692,103 22.544,104 11,105 64,106 0.241,107 0.56,108 0.699,109 0.788,110 0.804,111 0.816,112 3.741,113 0.918,114 -4.24,115 -4.18,116 -3.95,119 40,120 1,125 9,142 9,143 3,144 2,147 1,149 1,151 1,158 1,159 1,161 1,172 9,174 4,175 10,178 2,179 1,180 4,183 8,186 1,187 11,190 1,192 4,195 4,198 3,199 15,204 6,207 3,211 1,212 9,215 1,217 5,220 3,224 9,227 4,229 4,232 9,236 2,237 1,242 2,245 12,249 4,250 2,253 6,255 1,258 10,263 3,267 1,268 1,271 4,275 3503,276 28.386,277 28.386,278 28.386,279 28.386,280 28.386,281 25.682,282 37.293,283 16.818,284 29.159,285 22.679,286 22.679,287 22.679,288 22.679,289 22.679,290 18.347,291 48.89,292 7.945,293 23.849,294 4.652,295 2.565,296 1.661,297 1.077,298 0.97,299 0.89,300 4.457,306 1585,307 3.808,310 114.046,311 716.233,314 199.307,318 2.756,319 38.545,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89,331 711,332 4.673,333 3.693,334 6.84,335 4.201,336 3.254,337 4.627,338 1.656,339 11.391,340 3.084,341 4.265,342 3.562,343 6.391,344 3.959,345 2.976,346 3.805,347 1.2,348 9.668,349 2.925,350 4.171,351 3.348,352 6.11,353 3.776,354 2.8,355 3.787,356 0.86,357 8.946,358 2.733,359 3.93,360 2.906,361 6.095,362 3.595,363 2.671,364 3.315,365 0.8,366 8.804,367 2.525,368 3.888,369 2.796,370 5.576,371 3.582,372 2.63,373 3.222,374 0.4,375 7.648,376 2.435,377 3.737,378 2.595,379 5.368,380 3.377,381 2.414,382 3.108,383 0.293,384 7,385 2.32,386 3.434,387 2.441,388 5.166,389 3.118,390 2.155,391 2.645,392 0.247,393 6.222,394 2.067,395 3.217,396 2.403,397 5.12,398 2.922,399 1.99,400 2.352,402 5.792,403 1.855,404 3.18,405 2.318,406 4.656,407 2.847,408 1.855,409 2.278,411 5.019,412 1.82,413 2.955,414 1.908,415 4.411,416 2.453,417 1.513,418 2.147,420 4.243,421 1.425,422 2.745,423 1.886,424 4.35,425 2.409,426 1.489,427 1.819,428 3.862,429 1.381,430 2.687,431 1.668,432 3.888,433 2.395,434 1.448,435 1.665,436 3.293,437 1.341,438 2.5,439 1.535,440 3.761,441 2.079,442 1.165,443 1.5,445 2.905,446 1.059,447 2.5,448 1.32,449 3.43,450 2,451 1,452 1.5,454 2.275,455 1,456 2.473,457 1.256,458 3.414,459 2,460 1,461 1.466,463 2.275,464 1,465 19.2,466 0.468,467 0.845,468 0.021,469 53.25,470 1.299,471 24.5,472 0.598,473 28.75,474 0.701,475 36.64,476 0.894,477 44.4,478 0.592,479 45.684,480 1.114,481 10.556,482 0.257,483 9.529,484 0.232,485 0.061,487 0.323,493 0.84,494 1.55,495 0.783,496 1.178,497 0.58,498 0.995,499 0.966,500 1.077,501 0.923,502 0.932,503 0.588,504 0.916,505 1.078,506 1.084,507 0.955,508 0.937,509 0.854,510 0.919,511 1.099,512 1.07,513 0.997,514 1.016,515 1.301,516 0.989,517 1.204,518 1.03,519 1.023,520 0.957,521 1.536,522 0.962,523 0.927,524 1.055,525 1.092,526 1.106,527 0.92,528 1.12,529 0.801,530 1.053,531 1.088,532 1.133,533 0.612,534 1.146,535 0.4,536 0.962,537 0.959,538 1.19,539 0.436,540 1.18,541 7,542 0.24,543 4.444,544 2.569,545 2.031,546 1.629,547 0.966,548 0.417,549 0.407,550 0.342,551 34021,552 82707,553 2.162,554 45.3,556 27,557 1,559 3,561 3,564 1.8,565 2.067,566 3.997,567 0.764,573 118.226,574 1.576,575 3.664,576 4.568,577 5.152,578 5.259,579 5.339,580 3.439,581 4.967,582 5.329,583 4.246,584 3481.87,585 9.377,586 65445.2,591 467.161,592 1.237,593 5.308,594 0.152,595 0.006,596 0.069,597 0.038,598 0.032,599 0.026,600 0.016,601 0.008,602 0.009,603 0.009,604 0.367,605 0.17,606 0.63,607 0.537,608 238.238,609 -0.055,610 -0.301,611 0.068,612 -0.105,613 -0.03,614 -0.015,615 0.055,616 0.078,617 0.014,618 0.053,619 0.068,620 0.028,621 -0.093,622 -0.029,623 0.014,624 0.04,625 -0.001,626 0.046,627 -0.086,628 -0.034,629 -0.022,630 -0.034,631 -0.049,632 -0.019,633 -0.113,634 -0.004,635 -0.046,636 0.036,637 -0.123,638 0.011,639 -0.061,640 0.011,641 -0.154,642 -0.09,643 -0.076,644 -0.13,645 -0.03,646 -0.034,647 -0.141,648 -0.117,649 -0.033,650 -0.138,651 0.334,652 -0.026,653 0.005,654 -0.156,655 0.275,656 -0.14,657 2.035,658 5.667,659 0.805,660 57.81,661 1.004,662 1.133,663 3.007,664 9.04,665 0.657,666 3.85,667 4.174,668 4.477,669 4.754,670 5.004,671 5.112,672 5.308,673 5.442,674 5.525,675 5.638,676 10.086,677 0.629,678 554.72,679 3.85,680 5.398,681 6.26,682 7.14,683 8.017,684 8.904,685 9.789,686 10.681,687 11.571,688 12.467,689 10.7,691 1,695 1,696 3,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,719 1,726 1,731 75,733 24,734 2,735 46,737 80,738 30,739 18,740 4,741 8,742 1,746 6,747 7,751 1,752 1,761 20,762 10,766 2,771 2,775 2,781 34,782 10,783 3,784 11,790 8,794 0.833,795 3,806 1,807 1,811 1,812 5,815 1,835 1,839 1,840 5,844 1,848 41,854 9,855 3,856 1,859 2,870 4,873 2,874 1,877 19.833,878 13.583,879 9.028,880 4.722,881 4.289,882 1.478,883 1.014,884 8.371,885 13.267,886 4.094,887 4.675,888 5.277,889 5.878,890 6.432,891 6.807,892 7.284,893 7.705,894 7.998,895 8.392,896 1,897 67,898 15.222,900 6.535,901 7.675,902 29.336,904 24.343,905 2.175,906 89.167,910 364.904,911 156.893,912 95.751,914 61.29,917 156.893,918 426.194,919 95.751,920 8.825,921 63.071,922 112.344,923 101.281,924 21.809,925 18.375,926 353.133,928 364.904,929 252.644,930 61.29,933 331.919,934 85.603,935 11,937 93.521,938 123.224,939 33.571,941 364.904,942 157.041,943 156.893,946 364.904,947 53.734,948 111.307,949 54.032,950 94.861,951 364.904,952 157.041,953 156.893,955 0.577,956 0.344,957 0.19,958 0.105,959 31,960 13,961 0.075,962 6,963 1,964 1.061,965 5.205,966 412.915,967 0.061,968 33,969 203.66,974 27.517,975 12.472,976 6.174,977 1.94,978 155.142,979 18.597,980 9.846,984 4.273,985 2.123,986 54.032,987 678.838,988 59,993 25.33,997 -0.363,999 75.283,1000 85.012,1001 0.253,1002 0.588,1003 0.733,1004 0.827,1005 0.844,1006 0.857,1007 5.34,1008 1.99,1009 6.232,1010 6.222,1011 4.86,1012 5.364,1013 2.437,1014 7.043,1015 4.768,1016 6.527,1017 1.855,1018 7.787,1019 5.792,1020 4.369,1021 5.147,1022 1.404,1023 7.932,1024 4.246,1025 7.829,1026 1.513,1027 9.442,1028 5.019,1029 6.45,1030 7.55,1031 2.793,1032 11.051,1033 6.272,1034 9.167,1035 1.489,1036 11.159,1037 4.243,1038 6.815,1039 8.214,1040 2.438,1041 12.795,1042 6.606,1043 10.542,1044 1.448,1045 12.915,1046 3.862,1047 8.326,1048 10.077,1049 3.447,1050 15.423,1051 8.067,1052 11.942,1053 1.165,1054 14.7,1055 3.293,1056 9.088,1057 11.161,1058 3.469,1059 17.526,1060 8.795,1061 13.361,1062 1,1063 16.505,1064 2.905,1065 10.368,1066 12.809,1067 4.261,1068 19.994,1069 10.028,1070 3.254,1071 1,1072 18.326,1073 2.275,1074 11.324,1075 14.107,1076 4.499,1077 22.26,1078 10.945,1079 2.976,1080 11.391,1081 20.159,1082 2.275,1083 12.51,1084 15.668,1085 5.165,1086 24.678,1087 12.086,1088 2.8,1089 9.668,1090 22.002,1091 4.627,1092 13.561,1093 17.076,1094 5.523,1095 27.02,1096 13.094,1097 2.671,1098 8.946,1099 23.853,1100 3.805,1101 14.713,1102 18.605,1103 6.118,1104 29.427,1105 14.201,1106 2.63,1107 8.804,1108 25.712,1109 3.787,1110 15.813,1111 20.069,1112 6.542,1113 31.808,1114 15.254,1115 2.414,1116 7.648,1117 27.577,1118 3.315,1119 16.957,1120 21.589,1121 7.097,1122 34.217,1123 16.35,1124 2.155,1125 7,1126 29.447,1127 3.222,1128 18.082,1129 23.083,1130 7.557,1131 36.618,1132 17.426,1133 31093,1134 48690,1135 31.611,1136 49.307,1137 69.028,1138 71.038,1139 70.327,1140 68.79,1141 68.78,1142 87.447,1143 10.912,1144 196.652,1145 65.674,1146 5.673,1147 5.693,1148 6.642,1149 5.305,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.084,1155 15.663,1156 1.501,1157 1.544,1158 1.529,1159 1.495,1160 1.495,1161 1.901,1162 0.237,1163 4.275,1164 1.428,1165 4.143,1166 4.187,1167 4.115,1168 4.007,1169 7.432,1170 4.028,1171 3.968,1172 4.004,1173 3.916,1174 3.87,1175 7.427,1176 3.876,1177 3.885,1178 3.919,1179 3.829,1180 3.809,1181 5.083,1182 3.809,1183 3.768,1184 3.837,1185 3.657,1186 3.57,1187 4.739,1188 3.581,1189 3.743,1190 3.803,1191 3.628,1192 3.518,1193 4.702,1194 3.535,1195 3.487,1196 3.547,1197 3.425,1198 3.269,1199 4.615,1200 3.286,1201 3.404,1202 3.462,1203 3.285,1204 3.176,1205 4.391,1206 3.201,1207 3.218,1208 3.273,1209 3.129,1210 3.032,1211 4.378,1212 3.049,1213 0.102,1214 0.08,1215 0.149,1216 0.091,1217 0.071,1218 4.673,1219 0.101,1220 3.693,1221 0.036,1222 6.84,1223 0.248,1224 4.201,1225 0.067,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.084,1231 1.953,1232 1.923,1233 2.035,1234 2.09,1235 1.254,1236 2.07,1237 1.916,1238 1.89,1239 2.019,1240 2.048,1241 1.223,1242 2.041,1243 1.797,1244 1.758,1245 1.939,1246 1.968,1247 1.114,1248 1.963,1249 1.723,1250 1.65,1251 1.93,1252 1.928,1253 1.08,1254 1.933,1255 1.659,1256 1.59,1257 1.881,1258 1.894,1259 1.062,1260 1.891,1261 1.565,1262 1.515,1263 1.725,1264 1.748,1265 0.869,1266 1.744,1267 1.305,1268 1.262,1269 1.513,1270 1.584,1271 0.825,1272 1.541,1273 1.211,1274 1.14,1275 1.513,1276 1.437,1277 0.825,1278 1.46,1279 4.533,1281 5.855,1282 2.398,1283 7.377,1284 4.727,1285 8.985,1286 6.843,1287 10.639,1289 2.1,1295 6.744,1296 8.94,1297 5.547,1300 4.091,1305 47.164,1306 118.226,1307 274.768,1308 342.574,1309 386.407,1310 394.407,1311 400.407,1312 68.8,1313 8.978,1314 116.65,1315 116.65,1316 35,1317 12.993,1318 4.644,1319 3.807,1320 59.938,1321 255,1322 252,1323 0.113,1324 285.395,1325 492.49,1326 688.123,1327 130819,1329 28.183,1330 0.687,1331 0.563,1332 28.183,1333 23.098,1334 20.085,1335 0.437,1336 0.306,1337 13.831,1338 19.182,1339 13.599,1340 11.179,1341 20.085,1342 14.069,1343 17.762,1344 0.278,1345 0.158,1346 17.762,1347 10.085,1348 15.564,1349 0.179,1350 0.086,1351 15.564,1352 7.445,1353 13.174,1354 0.115,1355 0.045,1356 13.174,1357 5.192,1358 10.754,1359 0.073,1360 0.024,1361 10.754,1362 3.542,1363 0.185,1364 126.522,1365 0.178,1366 37.478,1367 0.289,1368 220,1369 628.431,1370 244.486,1371 602.328,1372 834.8,1373 568,1374 261,1375 622.98,1376 286.462,1377 625.973,1378 926.63,1379 592,1380 9.097}
{0 CHEMBL1092474,1 1.575,2 10.069,3 1.583,4 2.505,5 112.33,6 7.656,7 0.485,8 4.062,9 4.174,10 3.657,11 3.593,12 5.185,13 3.591,14 4.604,15 4.767,16 4.063,17 4.023,18 5.667,19 4.008,20 4.874,21 5.065,22 4.147,23 4.164,24 5.973,25 4.122,26 4.949,27 5.167,28 4.095,29 4.167,30 6.079,31 4.097,32 4.866,33 5.078,34 3.969,35 4.113,36 5.869,37 4.031,38 4.841,39 5.057,40 3.983,41 4.076,42 5.856,43 4.003,44 4.812,45 5.026,46 3.963,47 4.023,48 5.883,49 3.96,50 4.822,51 5.045,52 3.862,53 3.957,54 5.894,55 3.881,56 0.068,57 0.77,58 10.143,59 4.487,60 12.916,61 5.635,62 0.198,63 1.278,64 19.349,65 7.546,66 19.098,67 9.877,68 0.39,69 1.558,70 27.436,71 10.065,72 45.551,73 13.464,74 0.613,75 1.618,76 31.248,77 11.202,78 75.829,79 15.239,80 0.389,81 1.482,82 28.331,83 10.646,84 44.888,85 14.32,86 0.443,87 1.485,88 27.455,89 9.754,90 40.857,91 13.51,92 0.403,93 1.421,94 26.892,95 9.412,96 44.021,97 12.896,98 0.49,99 1.365,100 28.383,101 9.78,102 57.648,103 13.086,104 17,105 49,106 0.262,107 0.679,108 0.822,109 0.848,110 0.855,111 0.855,112 3.409,113 0.885,114 -3.17,115 -3.16,116 -3.04,119 43.1,121 2,124 1,125 2,127 1,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,161 1,163 1,164 1,165 1,172 4,174 1,175 12,180 4,183 6,185 2,186 1,187 6,192 1,195 3,198 2,199 8,201 1,202 3,204 1,207 7,211 1,212 2,217 1,220 6,223 3,224 6,229 3,232 5,234 2,236 2,237 4,242 2,245 3,247 1,250 6,252 2,253 3,255 1,258 1,260 1,263 6,266 2,268 1,271 4,275 1306,276 19.654,277 19.654,278 19.654,279 19.654,280 19.654,281 17.443,282 24.751,283 11.23,284 20.054,285 16.271,286 16.271,287 16.271,288 16.271,289 16.271,290 12.802,291 34.405,292 5.309,293 16.949,294 4.097,295 1.582,296 0.721,297 0.564,298 0.525,299 0.525,300 4.117,304 1,305 1,306 650,307 2.646,310 108.675,311 220.59,314 211.807,318 1.529,319 32.054,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 292,332 4.738,333 3.756,334 6.999,335 4.289,336 3.32,337 4.707,338 0.86,339 11.953,340 3.223,341 4.567,342 3.377,343 6.862,344 4.196,345 3.221,346 4.204,347 0.8,348 11.345,349 3.139,350 3.907,351 2.913,352 6.069,353 3.649,354 2.711,355 3.27,357 8.702,358 2.548,359 3.829,360 2.817,361 5.735,362 3.363,363 2.398,364 3.247,366 7.613,367 2.312,368 3.416,369 2.571,370 5.383,371 3.254,372 2.29,373 2.702,375 6.415,376 2.199,377 3.362,378 2.402,379 5.075,380 2.96,381 1.997,382 2.523,384 6.008,385 1.927,386 3.279,387 2.159,388 5.059,389 2.874,390 1.915,391 2.457,393 5.751,394 1.805,395 2.963,396 1.894,397 4.779,398 2.651,399 1.717,400 2.08,402 4.94,403 1.6,404 2.906,405 1.758,406 4.404,407 2.412,408 1.436,409 1.995,411 3.902,412 1.395,413 2.672,414 1.342,415 4.133,416 2.183,417 1.208,418 1.744,420 3.248,421 1.175,422 2.545,423 1.256,424 3.716,425 2.058,426 1.088,427 1.463,428 2.697,429 1.045,430 2.33,431 1.145,432 3.56,433 1.984,434 1,435 1.261,436 2.37,437 0.983,438 2,439 1.077,440 3.414,441 1.935,442 0.984,443 1,445 2.275,446 0.925,447 1.402,448 0.658,449 3.02,450 0.966,451 0.006,452 0.007,454 0.016,455 0.005,456 1.081,457 0.102,458 2.62,459 0.831,460 -0.126,461 -0.144,463 -0.295,464 -0.12,465 13.6,466 0.469,467 0.819,468 0.028,469 38.25,470 1.319,471 18.5,472 0.638,473 19.75,474 0.681,475 24.447,476 0.843,477 30.8,478 0.604,479 29.823,480 1.028,481 7.377,482 0.254,483 6.648,484 0.229,485 0.115,487 0.426,493 0.886,494 1.286,495 0.765,496 1.023,497 0.796,498 0.892,499 0.886,500 1.048,501 0.794,502 0.921,503 0.586,504 0.837,505 0.942,506 1.116,507 0.909,508 1.022,509 0.807,510 0.961,511 0.793,512 0.873,513 0.916,514 0.95,515 0.743,516 0.948,517 0.946,518 1.035,519 1.001,520 1.043,521 0.896,522 1.039,523 0.817,524 1.055,525 0.985,526 1.032,527 0.823,528 1.031,529 0.952,530 1.098,531 0.965,532 1.04,533 0.734,534 1.007,535 1.174,536 1.006,537 1.029,538 1.016,539 1.22,540 1.011,541 5.5,542 0.107,543 3.778,544 3.333,545 1.534,546 1.164,547 0.714,548 0.631,549 0.487,550 0.23,551 10451,552 26502,553 2.15,554 43.1,556 13,557 1,558 1,559 3,562 4,564 1.724,565 2,566 3.304,567 0.891,568 1,569 1,573 80.324,574 1.575,575 4.091,576 4.952,577 5.109,578 5.148,579 5.148,580 2.748,581 4.513,582 4.831,583 3.457,584 1403.37,585 8.44,586 18238.4,588 1,590 1,591 289.294,592 1.44,593 4.786,594 0.167,595 0.006,596 0.077,597 0.065,598 0.033,599 0.028,600 0.017,601 0.015,602 0.014,603 0.008,604 0.43,605 0.5,606 0.88,607 0.562,608 144.58,609 -0.092,610 -0.118,611 0.044,612 0.003,613 -0.104,614 0.041,615 -0.06,616 0.081,617 0.081,618 0.068,619 0.026,620 0.103,621 0.001,622 -0.078,623 0.027,624 -0.037,625 0.045,627 0.152,628 0.123,629 0.056,630 0.03,631 0.179,632 0.031,633 -0.053,634 -0.059,635 -0.047,636 -0.038,637 -0.056,638 -0.042,639 0.047,640 -0.032,641 -0.032,642 -0.059,643 -0.03,644 -0.058,645 0.004,646 -0.091,647 0.003,648 -0.069,649 0.059,650 -0.038,651 -0.045,652 -0.058,653 -0.017,654 -0.042,655 -0.067,656 -0.036,657 1.982,658 5.787,659 0.828,660 23.622,661 1.007,662 1.125,663 1.941,664 3.768,665 0.671,666 3.526,667 3.912,668 4.263,669 4.605,670 4.844,671 4.956,672 5.147,673 5.333,674 5.434,675 5.545,676 6.066,677 0.646,678 390.48,679 3.526,680 5.106,681 5.999,682 6.917,683 7.827,684 8.75,685 9.667,686 10.592,687 11.512,688 12.439,689 7.8,690 1,695 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 51,733 18,734 1,735 33,737 55,738 22,739 13,740 3,741 3,742 3,746 5,747 7,755 3,758 3,761 16,762 6,766 2,771 1,773 1,775 2,778 1,781 22,782 6,783 3,784 7,790 4,794 0.6,795 3,805 1,807 1,811 2,812 3,815 2,831 2,833 1,840 3,844 1,848 29,849 1,853 1,854 4,856 1,858 1,859 1,870 5.9,872 1,873 1,875 1,877 14.5,878 9.383,879 6.167,880 3.074,881 4.027,882 1.486,883 1.01,884 4.428,885 12.311,886 3.784,887 4.44,888 5.108,889 5.761,890 6.305,891 6.686,892 7.157,893 7.619,894 7.949,895 8.372,896 0.857,897 51,898 10.774,900 4.808,901 7.77,902 20.573,904 17.71,905 2.27,906 65.833,910 223.651,911 112.189,912 54.706,914 78.828,917 112.189,918 302.479,919 54.706,920 8.396,921 42.178,922 56.429,923 108.477,924 42.015,925 11.771,926 200.109,928 223.651,929 166.896,930 78.828,933 176.567,934 125.913,937 54.839,938 80.551,939 31.505,941 223.651,942 133.534,943 112.189,946 223.651,947 38.317,948 78.896,950 128.511,951 223.651,952 133.534,953 112.189,955 0.597,956 0.364,957 0.207,958 0.113,959 27,960 12,961 0.036,962 2,963 2,964 1.167,965 3.958,966 279.316,967 0.167,968 24,969 136.881,974 18.372,975 6.99,976 3.043,977 1.824,978 131.635,979 10.604,980 4.536,984 2.462,985 1.949,986 75.581,987 469.375,988 43,993 12.787,995 1.741,997 -0.117,999 51.342,1000 57.358,1001 0.278,1002 0.721,1003 0.873,1004 0.901,1005 0.908,1006 0.908,1007 5.063,1008 1.717,1009 6.014,1010 5.751,1011 4.595,1012 5.127,1013 1.235,1014 6.901,1015 4.518,1016 6.295,1017 1.436,1018 7.619,1019 4.94,1020 4.29,1021 5.066,1022 0.325,1023 7.936,1024 4.175,1025 7.632,1026 1.208,1027 9.325,1028 3.902,1029 6.26,1030 7.403,1031 0.938,1032 11.1,1033 6.116,1034 9.008,1035 1.088,1036 11.09,1037 3.248,1038 6.781,1039 8.205,1040 0.268,1041 12.995,1042 6.606,1043 10.42,1044 1,1045 12.894,1046 2.697,1047 8.243,1048 10.039,1049 0.732,1050 15.686,1051 8.043,1052 11.859,1053 0.984,1054 14.726,1055 2.37,1056 9.139,1057 11.243,1058 0.188,1059 17.927,1060 8.912,1061 13.319,1062 0.006,1063 16.579,1064 2.275,1065 10.414,1066 12.884,1067 0.57,1068 20.463,1069 10.162,1070 3.32,1071 -0.126,1072 18.447,1073 0.016,1074 11.475,1075 14.27,1076 0.125,1077 22.84,1078 11.197,1079 3.221,1080 11.953,1081 20.329,1082 -0.295,1083 12.685,1084 15.838,1085 0.438,1086 25.325,1087 12.382,1088 2.711,1089 11.345,1090 22.221,1091 4.707,1092 13.816,1093 17.305,1094 0.082,1095 27.754,1096 13.487,1097 2.398,1098 8.702,1099 24.12,1100 4.204,1101 15.005,1102 18.848,1103 0.334,1104 30.223,1105 14.651,1106 2.29,1107 7.613,1108 26.027,1109 3.27,1110 16.166,1111 20.351,1112 0.054,1113 32.673,1114 15.786,1115 1.997,1116 6.415,1117 27.939,1118 3.247,1119 17.35,1120 21.887,1121 0.252,1122 35.138,1123 16.944,1124 1.915,1125 6.008,1126 29.855,1127 2.702,1128 18.525,1129 23.407,1130 0.035,1131 37.597,1132 18.092,1133 9718,1134 15668,1135 22.194,1136 34.239,1137 51.349,1138 52.326,1139 53.26,1140 50.651,1141 50.581,1142 65.319,1143 3.32,1144 154.465,1145 48.56,1146 5.738,1147 5.756,1148 6.535,1149 5.354,1150 5.32,1151 7.707,1152 1.72,1153 19.352,1154 5.223,1155 13.882,1156 1.556,1157 1.586,1158 1.614,1159 1.535,1160 1.533,1161 1.979,1162 0.101,1163 4.681,1164 1.472,1165 4.155,1166 4.191,1167 4.128,1168 4.044,1169 7.428,1170 4.061,1171 3.969,1172 3.975,1173 3.941,1174 3.873,1175 6.468,1176 3.887,1177 3.821,1178 3.89,1179 3.7,1180 3.665,1181 5.036,1182 3.664,1183 3.498,1184 3.537,1185 3.432,1186 3.386,1187 4.99,1188 3.392,1189 3.41,1190 3.463,1191 3.311,1192 3.231,1193 4.799,1194 3.244,1195 3.124,1196 3.228,1197 3.007,1198 2.941,1199 4.393,1200 2.917,1201 3.111,1202 3.206,1203 2.908,1204 2.907,1205 4.263,1206 2.91,1207 3.048,1208 3.112,1209 2.866,1210 2.805,1211 4.174,1212 2.817,1213 0.144,1214 0.114,1215 0.212,1216 0.13,1217 0.101,1218 4.738,1219 0.143,1220 3.756,1221 0.026,1222 6.999,1223 0.362,1224 4.289,1225 0.098,1226 3.32,1227 4.707,1228 0.86,1229 11.953,1230 3.223,1231 1.934,1232 1.9,1233 2.06,1234 2.08,1235 1.39,1236 2.075,1237 1.86,1238 1.847,1239 1.945,1240 1.951,1241 1.088,1242 1.947,1243 1.751,1244 1.697,1245 1.899,1246 1.93,1247 1.046,1248 1.925,1249 1.652,1250 1.609,1251 1.794,1252 1.824,1253 0.885,1254 1.819,1255 1.374,1256 1.331,1257 1.56,1258 1.584,1259 0.825,1260 1.57,1261 1.153,1262 1.064,1263 1.513,1264 1.386,1265 0.639,1266 1.429,1267 1.067,1268 1.035,1269 1.356,1270 1.376,1271 0.492,1272 1.386,1273 1.042,1274 0.935,1275 1.23,1276 1.245,1277 0.295,1278 1.244,1279 4.205,1281 5.572,1282 3.045,1283 7.135,1284 5.533,1285 8.787,1286 7.727,1287 10.488,1289 1.936,1293 6.073,1294 10.038,1295 3.673,1297 5.753,1299 0.247,1300 2.327,1305 32.971,1306 80.324,1307 208.623,1308 252.539,1309 260.539,1310 262.539,1311 262.539,1312 50.843,1313 8.284,1314 97.52,1315 97.52,1316 28,1317 12.944,1318 4.248,1319 3.459,1320 39.414,1321 104,1322 115,1323 0.184,1324 197.654,1325 341.27,1326 474.037,1327 48377,1329 20.121,1330 0.694,1331 0.556,1332 20.121,1333 16.13,1334 14.025,1335 0.425,1336 0.295,1337 9.591,1338 13.471,1339 9.393,1340 7.727,1341 14.025,1342 9.735,1343 13.165,1344 0.269,1345 0.156,1346 13.165,1347 7.639,1348 11.677,1349 0.167,1350 0.082,1351 11.677,1352 5.706,1353 10.373,1354 0.105,1355 0.042,1356 10.373,1357 4.19,1358 8.484,1359 0.067,1360 0.024,1361 8.484,1362 2.969,1363 0.283,1364 88.098,1365 0.212,1366 26.964,1367 0.528,1368 164,1369 457.868,1370 179.714,1371 442.017,1372 615.82,1373 414,1374 201,1375 469.672,1376 218.74,1377 473.587,1378 705.34,1379 447,1380 6.924}
{0 CHEMBL1092485,1 1.547,2 13.919,3 3.167,4 10.03,5 142.08,6 7.851,7 0.524,8 4.265,9 4.368,10 3.886,11 3.825,12 5.405,13 3.822,14 4.803,15 4.965,16 4.283,17 4.244,18 5.895,19 4.233,20 5.04,21 5.204,22 4.385,23 4.408,24 6.19,25 4.37,26 5.164,27 5.361,28 4.337,29 4.416,30 6.354,31 4.354,32 5.089,33 5.291,34 4.22,35 4.353,36 6.187,37 4.28,38 5.011,39 5.211,40 4.202,41 4.318,42 6.065,43 4.241,44 5,45 5.21,46 4.181,47 4.253,48 6.101,49 4.193,50 4.92,51 5.106,52 4.148,53 4.195,54 6.073,55 4.147,56 0.056,57 0.909,58 11.565,59 5.605,60 11.082,61 6.792,62 0.319,63 1.544,64 23,65 8.996,66 20.925,67 11.355,68 0.4,69 1.837,70 30.058,71 12.563,72 44.757,73 15.738,74 0.659,75 1.969,76 37.617,77 14.524,78 102.613,79 18.543,80 0.598,81 1.839,82 35.137,83 13.472,84 76.246,85 17.186,86 0.357,87 1.753,88 31.041,89 12.815,90 45.973,91 16.979,92 0.435,93 1.696,94 32.238,95 12.286,96 58.712,97 16.012,98 0.414,99 1.562,100 28.746,101 11.165,102 54.647,103 14.022,104 26,105 62,106 0.243,107 0.588,108 0.747,109 0.832,110 0.847,111 0.847,112 3.642,113 0.871,114 -3.97,115 -3.93,116 -3.72,119 46,124 2,125 4,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 13,174 2,175 10,180 2,183 16,186 2,187 11,192 1,195 14,199 13,202 2,204 1,207 11,211 2,212 10,217 1,220 10,223 2,224 12,229 1,232 7,236 1,237 14,242 1,245 6,250 10,253 1,255 1,258 6,262 4,263 8,266 1,268 2,271 8,275 2744,276 25.085,277 25.085,278 25.085,279 25.085,280 25.085,281 22.122,282 22.474,283 14.31,284 25.566,285 20.683,286 20.683,287 20.683,288 20.683,289 20.683,290 16.024,291 26.996,292 6.748,293 21.439,294 4.43,295 2.238,296 1.23,297 0.691,298 0.595,299 0.595,300 4.356,305 1,306 1151,307 3.317,310 154.898,311 435.176,314 299.133,318 2.196,319 40.427,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 80,331 515,332 4.749,333 3.756,334 7,335 4.298,336 3.32,337 4.726,338 1.2,339 11.953,340 3.252,341 4.569,342 3.695,343 6.862,344 4.2,345 3.221,346 4.204,347 0.86,348 11.345,349 3.155,350 4.269,351 3.31,352 6.394,353 3.961,354 2.98,355 3.834,356 0.8,357 9.681,358 2.923,359 3.992,360 2.818,361 6.062,362 3.636,363 2.664,364 3.411,365 0.293,366 8.674,367 2.591,368 3.832,369 2.777,370 5.735,371 3.365,372 2.405,373 3.258,375 7.613,376 2.308,377 3.539,378 2.694,379 5.389,380 3.34,381 2.393,382 2.779,384 6.67,385 2.253,386 3.388,387 2.57,388 5.287,389 2.989,390 2.04,391 2.688,393 6.276,394 1.937,395 3.284,396 2.223,397 5.074,398 2.932,399 1.975,400 2.523,402 5.753,403 1.888,404 3.279,405 2.151,406 4.94,407 2.874,408 1.914,409 2.433,411 5.668,412 1.805,413 3.016,414 2.029,415 4.819,416 2.664,417 1.708,418 2.119,420 5.019,421 1.627,422 2.923,423 1.778,424 4.404,425 2.412,426 1.436,427 2.049,428 3.902,429 1.395,430 2.681,431 1.69,432 4.184,433 2.19,434 1.216,435 1.761,436 3.334,437 1.182,438 2.577,439 1.342,440 3.716,441 2.102,442 1.124,443 1.544,445 2.732,446 1.091,447 2.5,448 1.225,449 3.65,450 2,451 1.002,452 1.5,454 2.381,455 1,456 2.441,457 1.146,458 3.558,459 1.979,460 1,461 1.338,463 2.275,464 0.965,465 17.433,466 0.471,467 1.028,468 0.028,469 50.5,470 1.365,471 25.5,472 0.689,473 25,474 0.676,475 31.094,476 0.84,477 38.367,478 0.609,479 44.258,480 1.196,481 10.154,482 0.274,483 7.748,484 0.209,485 0.115,487 0.413,493 0.778,494 1.326,495 0.72,496 1.044,497 0.639,498 0.902,499 0.896,500 0.873,501 0.793,502 0.772,503 0.566,504 0.739,505 0.905,506 1.063,507 0.927,508 1.062,509 0.79,510 1.004,511 1.017,512 0.982,513 0.973,514 0.996,515 1.124,516 0.981,517 1.1,518 0.914,519 1.04,520 0.933,521 1.218,522 0.974,523 0.684,524 1.098,525 0.915,526 1.096,527 0.72,528 1.058,529 0.984,530 0.979,531 0.891,532 0.939,533 0.857,534 0.906,535 1.155,536 1.058,537 0.977,538 1.01,539 1.204,540 0.975,541 7,542 0.221,543 5.111,544 4.083,545 1.996,546 1.414,547 0.915,548 0.805,549 0.588,550 0.406,551 22404,552 57935,553 2.147,554 41.3,556 23,557 1,558 1,559 1,564 1.781,565 2,566 3.718,567 -0.392,573 97.476,574 1.547,575 3.74,576 4.747,577 5.287,578 5.382,579 5.382,580 3.244,581 4.831,582 5.178,583 3.917,584 2608.79,585 9.116,586 41850.9,591 376.569,592 1.434,593 5.138,594 0.167,595 0.006,596 0.082,597 0.062,598 0.033,599 0.026,600 0.017,601 0.015,602 0.012,603 0.008,604 0.427,605 0.5,606 0.75,607 0.531,608 203.22,609 -0.047,610 -0.213,611 0.058,612 -0.056,613 -0.06,614 0.002,615 -0.052,616 0.26,617 0.08,618 0.174,619 0.021,620 0.167,621 0.013,622 -0.033,623 -0.023,624 -0.075,625 0.049,626 -0.054,627 0.031,628 -0.016,629 0.009,630 -0.002,631 0.061,632 0.002,633 -0.085,634 0.059,635 -0.061,636 0.06,637 -0.126,638 0.011,639 0.066,640 -0.112,641 0.021,642 -0.092,643 -0.002,644 -0.054,645 -0.029,646 -0.004,647 0.093,648 0.053,649 0.025,650 0.088,651 -0.082,652 -0.074,653 -0.009,654 -0.022,655 -0.068,656 -0.008,657 2.026,658 5.988,659 0.811,660 44.337,661 1.007,662 1.117,663 2.744,664 7.531,665 0.686,666 3.761,667 4.143,668 4.489,669 4.804,670 5.043,671 5.159,672 5.357,673 5.541,674 5.68,675 5.841,676 8.022,677 0.663,678 494.59,679 3.761,680 5.342,681 6.232,682 7.143,683 8.047,684 8.962,685 9.872,686 10.79,687 11.704,688 12.623,689 6.3,692 1,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 63,733 25,734 2,735 42,737 68,738 29,739 19,740 5,741 7,742 4,746 6,747 8,761 23,762 6,766 3,771 2,773 1,775 3,781 26,782 7,783 1,784 8,790 4,794 0.667,795 4,805 1,807 1,811 2,812 4,815 2,831 2,836 1,840 4,844 2,848 37,853 1,854 4,856 1,859 2,870 6.3,872 1,873 2,875 1,877 18.5,878 12.167,879 7.889,880 3.751,881 5.222,882 1.572,883 1.015,884 5.92,885 14.352,886 4.043,887 4.694,888 5.36,889 5.995,890 6.562,891 6.967,892 7.488,893 7.986,894 8.406,895 8.879,896 1,897 66,898 13.762,900 6.115,901 7.784,902 26.151,904 22.201,905 2.284,906 84.5,910 294.278,911 169.138,912 24.933,914 103.973,917 169.138,918 398.251,919 24.933,920 16.793,921 11.547,922 94.334,923 138.327,924 48.815,925 11.771,926 270.735,928 294.278,929 194.071,930 103.973,933 294.278,934 103.973,937 27.333,938 135.233,939 31.505,941 294.278,942 128.906,943 169.138,946 294.278,947 48.964,948 128.322,950 120.759,951 294.278,952 128.906,953 169.138,955 0.597,956 0.365,957 0.201,958 0.108,959 33,960 15,961 0.044,962 3,963 2,964 1.133,965 4.668,966 383.981,967 0.133,968 30,969 184.75,974 23.622,975 9.273,976 4.153,977 1.625,978 127.007,979 17.999,980 4.551,984 3.723,985 1.903,986 42.683,987 592.322,988 56,993 25.943,995 1.695,997 -0.168,999 63.436,1000 70.398,1001 0.259,1002 0.626,1003 0.794,1004 0.884,1005 0.9,1006 0.9,1007 5.316,1008 1.975,1009 6.244,1010 6.276,1011 4.828,1012 5.382,1013 1.844,1014 7.12,1015 4.764,1016 6.549,1017 1.914,1018 7.846,1019 5.753,1020 4.511,1021 5.286,1022 0.57,1023 8.138,1024 4.42,1025 7.882,1026 1.708,1027 9.547,1028 5.668,1029 6.488,1030 7.645,1031 1.806,1032 11.287,1033 6.373,1034 9.253,1035 1.436,1036 11.307,1037 5.019,1038 6.995,1039 8.402,1040 0.801,1041 13.153,1042 6.864,1043 10.658,1044 1.216,1045 13.104,1046 3.902,1047 8.456,1048 10.246,1049 1.913,1050 15.83,1051 8.303,1052 12.089,1053 1.124,1054 14.929,1055 3.334,1056 9.334,1057 11.408,1058 1.074,1059 18.044,1060 9.168,1061 13.54,1062 1.002,1063 16.773,1064 2.732,1065 10.604,1066 13.051,1067 2.092,1068 20.567,1069 10.417,1070 3.32,1071 1,1072 18.633,1073 2.381,1074 11.647,1075 14.406,1076 1.404,1077 22.924,1078 11.446,1079 3.221,1080 11.953,1081 20.505,1082 2.275,1083 12.849,1084 15.973,1085 2.32,1086 25.397,1087 12.628,1088 2.98,1089 11.345,1090 22.387,1091 4.726,1092 13.965,1093 17.42,1094 1.768,1095 27.813,1096 13.727,1097 2.664,1098 9.681,1099 24.278,1100 4.204,1101 15.145,1102 18.959,1103 2.581,1104 30.273,1105 14.887,1106 2.405,1107 8.674,1108 26.175,1109 3.834,1110 16.294,1111 20.451,1112 2.15,1113 32.714,1114 16.018,1115 2.393,1116 7.613,1117 28.077,1118 3.411,1119 17.469,1120 21.984,1121 2.867,1122 35.173,1123 17.173,1124 2.04,1125 6.67,1126 29.985,1127 3.258,1128 18.634,1129 23.499,1130 2.538,1131 37.625,1132 18.318,1133 20556,1134 33303,1135 28.263,1136 43.216,1137 65.458,1138 67.15,1139 67.551,1140 64.507,1141 64.407,1142 84.53,1143 6.306,1144 195.273,1145 62.282,1146 5.749,1147 5.756,1148 6.535,1149 5.366,1150 5.32,1151 7.726,1152 2.293,1153 19.357,1154 5.252,1155 18.64,1156 1.559,1157 1.599,1158 1.608,1159 1.536,1160 1.533,1161 2.013,1162 0.15,1163 4.649,1164 1.483,1165 4.168,1166 4.198,1167 4.141,1168 4.08,1169 7.43,1170 4.091,1171 3.973,1172 3.977,1173 3.945,1174 3.885,1175 7.426,1176 3.897,1177 3.922,1178 3.967,1179 3.865,1180 3.81,1181 6.468,1182 3.818,1183 3.778,1184 3.838,1185 3.672,1186 3.599,1187 5.035,1188 3.609,1189 3.497,1190 3.528,1191 3.435,1192 3.388,1193 4.8,1194 3.394,1195 3.412,1196 3.46,1197 3.326,1198 3.24,1199 4.671,1200 3.254,1201 3.279,1202 3.355,1203 3.176,1204 3.039,1205 4.383,1206 3.064,1207 3.111,1208 3.206,1209 2.954,1210 2.941,1211 4.362,1212 2.91,1213 0.113,1214 0.089,1215 0.167,1216 0.102,1217 0.079,1218 4.749,1219 0.113,1220 3.756,1221 0.029,1222 7,1223 0.285,1224 4.298,1225 0.077,1226 3.32,1227 4.726,1228 1.2,1229 11.953,1230 3.252,1231 2.003,1232 1.984,1233 2.076,1234 2.085,1235 1.29,1236 2.082,1237 1.861,1238 1.849,1239 1.978,1240 2.009,1241 1.214,1242 2.003,1243 1.81,1244 1.772,1245 1.945,1246 1.951,1247 1.051,1248 1.947,1249 1.717,1250 1.658,1251 1.849,1252 1.887,1253 0.966,1254 1.879,1255 1.652,1256 1.608,1257 1.792,1258 1.811,1259 0.885,1260 1.808,1261 1.374,1262 1.333,1263 1.562,1264 1.579,1265 0.825,1266 1.567,1267 1.218,1268 1.144,1269 1.543,1270 1.501,1271 0.653,1272 1.514,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.612,1278 1.429,1279 4.443,1281 5.808,1282 3.045,1283 7.368,1284 5.533,1285 9.014,1286 7.727,1287 10.706,1289 3.966,1294 10.139,1295 3.211,1297 5.791,1300 4.12,1305 41.74,1306 97.476,1307 235.602,1308 299.059,1309 333.059,1310 339.059,1311 339.059,1312 70.107,1313 9.13,1314 91.81,1315 91.81,1316 34,1317 13.133,1318 4.7,1319 3.907,1320 51.076,1321 174,1322 211,1323 0.139,1324 249.694,1325 437.34,1326 601.013,1327 145770,1329 25.681,1330 0.694,1331 0.558,1332 25.681,1333 20.64,1334 17.902,1335 0.426,1336 0.29,1337 12.007,1338 17.209,1339 11.7,1340 9.648,1341 17.902,1342 12.19,1343 16.699,1344 0.269,1345 0.153,1346 16.699,1347 9.515,1348 14.981,1349 0.17,1350 0.08,1351 14.981,1352 7.081,1353 12.955,1354 0.107,1355 0.042,1356 12.955,1357 5.029,1358 10.519,1359 0.068,1360 0.023,1361 10.519,1362 3.521,1363 0.22,1364 112.345,1365 0.188,1366 33.64,1367 0.378,1368 208,1369 599.937,1370 226.65,1371 579.031,1372 800.76,1373 542,1374 254,1375 600.435,1376 275.287,1377 609.316,1378 904.09,1379 573,1380 7.155}
{0 CHEMBL1092486,1 1.561,2 13.919,3 2.283,4 5.212,5 142.995,6 7.377,7 0.381,8 4.336,9 4.452,10 3.905,11 3.842,12 5.398,13 3.835,14 4.921,15 5.106,16 4.306,17 4.282,18 5.915,19 4.261,20 5.194,21 5.391,22 4.412,23 4.467,24 6.231,25 4.413,26 5.317,27 5.538,28 4.371,29 4.487,30 6.405,31 4.406,32 5.271,33 5.5,34 4.259,35 4.447,36 6.255,37 4.349,38 5.245,39 5.484,40 4.246,41 4.436,42 6.142,43 4.327,44 5.257,45 5.514,46 4.226,47 4.369,48 6.198,49 4.274,50 5.158,51 5.397,52 4.182,53 4.292,54 6.15,55 4.215,56 0.046,57 1.034,58 14.306,59 6.098,60 9.529,61 8.079,62 0.357,63 1.741,64 28.771,65 9.899,66 24.009,67 13.843,68 0.494,69 2.12,70 39.13,71 14.119,72 48.984,73 19.403,74 0.793,75 2.233,76 46.635,77 16.177,78 107.953,79 22.287,80 0.767,81 2.132,82 44.893,83 15.561,84 85.575,85 21.59,86 0.524,87 2.147,88 42.896,89 15.335,90 52.11,91 22.135,92 0.643,93 2.091,94 45.282,95 14.588,96 71.031,97 21.303,98 0.614,99 1.886,100 40.657,101 13.297,102 62.707,103 18.709,104 26,105 62,106 0.244,107 0.586,108 0.758,109 0.834,110 0.838,111 0.838,112 3.642,113 0.916,114 -3.25,115 -3.24,116 -3.11,119 41.2,121 2,122 1,124 2,125 6,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,158 1,161 1,172 6,174 2,175 14,180 2,183 6,186 2,187 11,192 1,195 3,198 2,199 8,202 2,204 1,207 7,211 4,212 3,217 1,220 8,223 3,224 8,229 1,232 6,236 2,237 10,242 1,245 4,249 1,250 8,253 1,258 1,262 4,263 9,266 2,268 1,271 4,275 2744,276 25.085,277 25.085,278 25.085,279 25.085,280 25.085,281 22.769,282 33.908,283 14.31,284 25.673,285 20.683,286 20.683,287 20.683,288 20.683,289 20.683,290 16.966,291 46.162,292 6.748,293 21.615,294 4.526,295 2.341,296 1.243,297 0.757,298 0.728,299 0.728,300 4.356,305 1,306 1151,307 3.317,310 154.898,311 435.176,314 299.133,318 2.196,319 41.731,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 80.5,331 515,332 4.738,333 3.821,334 7,335 4.29,336 3.32,337 4.707,338 1.94,339 11.953,340 3.224,341 4.567,342 3.756,343 6.862,344 4.197,345 3.221,346 4.204,347 0.86,348 11.345,349 3.139,350 4.121,351 3.374,352 6.394,353 3.958,354 2.98,355 3.301,356 0.8,357 9.681,358 2.916,359 3.886,360 2.899,361 6.062,362 3.594,363 2.664,364 3.259,365 0.8,366 8.674,367 2.481,368 3.826,369 2.817,370 5.735,371 3.365,372 2.405,373 3.225,374 0.555,375 7.613,376 2.306,377 3.443,378 2.775,379 5.389,380 3.336,381 2.393,382 2.701,384 6.67,385 2.245,386 3.381,387 2.571,388 5.287,389 2.985,390 2.04,391 2.523,393 6.276,394 1.934,395 3.279,396 2.265,397 5.074,398 2.93,399 1.975,400 2.457,402 5.753,403 1.881,404 3.158,405 2.162,406 4.94,407 2.874,408 1.914,409 2.239,411 5.668,412 1.805,413 2.932,414 2.047,415 4.819,416 2.642,417 1.708,418 2.057,420 5.019,421 1.591,422 2.86,423 1.82,424 4.404,425 2.412,426 1.436,427 1.901,428 3.902,429 1.395,430 2.673,431 1.75,432 4.184,433 2.188,434 1.216,435 1.743,436 3.334,437 1.18,438 2.553,439 1.342,440 3.716,441 2.098,442 1.124,443 1.484,445 2.732,446 1.086,447 2.403,448 1.25,449 3.65,450 1.984,451 1.002,452 1.31,454 2.381,455 0.983,456 2.157,457 1.146,458 3.558,459 1.978,460 1,461 1,463 2.275,464 0.965,465 17.333,466 0.468,467 1.028,468 0.028,469 45.75,470 1.236,471 20,472 0.541,473 25.75,474 0.696,475 36.462,476 0.985,477 40.267,478 0.592,479 38.891,480 1.051,481 8.85,482 0.239,483 9.052,484 0.245,485 0.115,487 0.41,493 0.795,494 1.519,495 0.771,496 1.178,497 0.619,498 1.002,499 0.922,500 0.994,501 0.848,502 0.85,503 0.542,504 0.811,505 0.941,506 1.1,507 0.955,508 1.067,509 0.811,510 1.014,511 1.018,512 0.991,513 0.999,514 1.025,515 1.159,516 1.013,517 1.047,518 0.924,519 1.052,520 0.965,521 1.193,522 1.009,523 0.657,524 1.092,525 0.95,526 1.094,527 0.615,528 1.073,529 0.902,530 0.952,531 0.894,532 0.898,533 0.714,534 0.888,535 1.121,536 0.932,537 0.947,538 0.901,539 1.054,540 0.894,541 7,542 0.221,543 5.111,544 4.083,545 1.996,546 1.414,547 0.915,548 0.805,549 0.588,550 0.406,551 22404,552 54820,553 2.147,554 45.6,556 23,557 1,558 1,559 1,560 1,561 4,564 1.781,565 2,566 3.718,567 -0.365,573 106.152,574 1.561,575 3.746,576 4.844,577 5.33,578 5.359,579 5.359,580 3.244,581 4.831,582 5.178,583 3.917,584 2608.79,585 9.116,586 41850.9,591 413.947,592 1.434,593 5.138,594 0.167,595 0.006,596 0.082,597 0.062,598 0.033,599 0.026,600 0.017,601 0.015,602 0.012,603 0.008,604 0.427,605 0.5,606 0.75,607 0.531,608 203.22,609 -0.04,610 -0.302,611 0.072,612 -0.097,613 -0.027,614 -0.014,615 -0.06,616 0.177,617 0.073,618 0.135,619 0.034,620 0.14,621 -0.01,622 -0.036,623 -0.012,624 -0.058,625 0.037,626 -0.034,627 0.033,628 -0.009,629 -0.014,630 -0.03,631 0.045,632 -0.029,633 -0.045,634 0.055,635 -0.07,636 0.03,637 -0.094,638 -0.02,639 0.071,640 -0.092,641 0.001,642 -0.091,643 0.029,644 -0.063,645 0.001,646 0.017,647 0.104,648 0.065,649 0.061,650 0.1,651 -0.066,652 0.039,653 0.057,654 0.071,655 -0.041,656 0.083,657 2.001,658 6.119,659 0.811,660 44.337,661 1.004,662 1.128,663 2.023,664 4.094,665 0.658,666 3.761,667 4.143,668 4.489,669 4.804,670 5.043,671 5.159,672 5.357,673 5.541,674 5.68,675 5.841,676 8.022,677 0.63,678 501.64,679 3.761,680 5.342,681 6.232,682 7.143,683 8.047,684 8.962,685 9.872,686 10.79,687 11.704,688 12.623,689 7.4,692 1,695 1,696 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 68,733 19,734 1,735 42,737 73,738 28,739 13,740 3,741 3,742 3,746 6,747 8,755 2,756 1,758 2,761 17,762 11,763 1,766 3,771 2,773 1,775 3,781 31,782 8,783 1,784 9,790 5,794 0.667,795 4,805 1,807 1,811 2,812 4,815 2,827 1,831 2,836 1,840 4,844 2,848 37,853 1,854 8,856 1,858 1,859 3,870 5.9,872 1,873 2,875 1,877 18.5,878 12.867,879 7.889,880 4.237,881 4.09,882 1.448,883 0.995,884 6.371,885 13.22,886 3.989,887 4.603,888 5.233,889 5.84,890 6.362,891 6.734,892 7.198,893 7.658,894 8.004,895 8.438,896 1,897 66,898 13.826,900 6.152,901 7.73,902 26.612,904 22.931,905 2.23,906 82.5,910 353.133,911 133.713,912 28.058,914 103.973,917 133.713,918 457.106,919 28.058,920 16.793,921 20.828,922 56.429,923 138.327,924 45.139,925 11.771,926 329.591,928 353.133,929 161.771,930 103.973,933 306.049,934 151.057,937 36.614,938 93.652,939 31.505,941 353.133,942 132.031,943 133.713,946 353.133,947 51.444,948 93.541,950 120.759,951 353.133,952 132.031,953 133.713,955 0.597,956 0.365,957 0.201,958 0.108,959 33,960 15,961 0.041,962 3,963 2,964 1.133,965 4.668,966 383.981,967 0.133,968 30,969 181.995,974 24.319,975 9.693,976 4.381,977 1.753,978 130.132,979 10.574,980 4.591,984 2.335,985 1.943,986 42.683,987 618.877,988 53,993 26.094,995 1.735,997 0.131,999 68.305,1000 76.727,1001 0.256,1002 0.615,1003 0.796,1004 0.876,1005 0.88,1006 0.88,1007 5.278,1008 1.975,1009 6.244,1010 6.276,1011 4.828,1012 5.291,1013 2.406,1014 7.12,1015 4.748,1016 6.492,1017 1.914,1018 7.846,1019 5.753,1020 4.511,1021 5.207,1022 1.803,1023 8.138,1024 4.392,1025 7.82,1026 1.708,1027 9.547,1028 5.668,1029 6.488,1030 7.508,1031 3.066,1032 11.287,1033 6.338,1034 9.184,1035 1.436,1036 11.307,1037 5.019,1038 6.995,1039 8.294,1040 3.157,1041 13.153,1042 6.821,1043 10.585,1044 1.216,1045 13.104,1046 3.902,1047 8.456,1048 10.102,1049 4.153,1050 15.83,1051 8.253,1052 12.012,1053 1.124,1054 14.929,1055 3.334,1056 9.334,1057 11.293,1058 4.543,1059 18.044,1060 9.111,1061 13.46,1062 1.002,1063 16.773,1064 2.732,1065 10.604,1066 12.919,1067 5.386,1068 20.567,1069 10.353,1070 3.32,1071 1,1072 18.633,1073 2.381,1074 11.647,1075 14.297,1076 5.912,1077 22.924,1078 11.377,1079 3.221,1080 11.953,1081 20.505,1082 2.275,1083 12.849,1084 15.857,1085 6.671,1086 25.397,1087 12.552,1088 2.98,1089 11.345,1090 22.387,1091 4.707,1092 13.965,1093 17.319,1094 7.263,1095 27.813,1096 13.646,1097 2.664,1098 9.681,1099 24.278,1100 4.204,1101 15.145,1102 18.858,1103 7.976,1104 30.273,1105 14.8,1106 2.405,1107 8.674,1108 26.175,1109 3.301,1110 16.294,1111 20.359,1112 8.602,1113 32.714,1114 15.924,1115 2.393,1116 7.613,1117 28.077,1118 3.259,1119 17.469,1120 21.892,1121 9.292,1122 35.173,1123 17.073,1124 2.04,1125 6.67,1126 29.985,1127 3.225,1128 18.634,1129 23.411,1130 9.936,1131 37.625,1132 18.212,1133 20556,1134 32432,1135 28.263,1136 44.745,1137 65.329,1138 66.995,1139 67.551,1140 64.508,1141 64.407,1142 80.182,1143 9.912,1144 195.273,1145 61.779,1146 5.738,1147 5.821,1148 6.535,1149 5.357,1150 5.32,1151 7.707,1152 3.348,1153 19.357,1154 5.224,1155 18.64,1156 1.555,1157 1.595,1158 1.608,1159 1.536,1160 1.533,1161 1.909,1162 0.236,1163 4.649,1164 1.471,1165 4.158,1166 4.194,1167 4.13,1168 4.047,1169 7.429,1170 4.063,1171 3.969,1172 3.975,1173 3.942,1174 3.873,1175 7.425,1176 3.887,1177 3.908,1178 3.967,1179 3.815,1180 3.741,1181 6.468,1182 3.749,1183 3.757,1184 3.831,1185 3.631,1186 3.569,1187 5.025,1188 3.575,1189 3.502,1190 3.54,1191 3.436,1192 3.389,1193 4.799,1194 3.395,1195 3.42,1196 3.467,1197 3.333,1198 3.237,1199 4.4,1200 3.252,1201 3.293,1202 3.371,1203 3.177,1204 3.032,1205 4.373,1206 3.058,1207 3.111,1208 3.206,1209 2.958,1210 2.941,1211 4.284,1212 2.91,1213 0.113,1214 0.091,1215 0.167,1216 0.102,1217 0.079,1218 4.738,1219 0.112,1220 3.821,1221 0.046,1222 7,1223 0.285,1224 4.29,1225 0.077,1226 3.32,1227 4.707,1228 1.94,1229 11.953,1230 3.224,1231 1.941,1232 1.906,1233 2.072,1234 2.092,1235 1.425,1236 2.087,1237 1.86,1238 1.848,1239 1.976,1240 2.013,1241 1.273,1242 2.005,1243 1.816,1244 1.768,1245 1.945,1246 1.951,1247 1.092,1248 1.947,1249 1.709,1250 1.642,1251 1.892,1252 1.908,1253 1.047,1254 1.908,1255 1.652,1256 1.608,1257 1.794,1258 1.822,1259 0.885,1260 1.817,1261 1.376,1262 1.334,1263 1.566,1264 1.589,1265 0.825,1266 1.575,1267 1.227,1268 1.147,1269 1.548,1270 1.518,1271 0.825,1272 1.524,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.675,1278 1.429,1279 4.443,1281 5.808,1282 3.045,1283 7.368,1284 5.533,1285 9.014,1286 7.727,1287 10.706,1289 4.029,1294 10.153,1295 6.677,1297 5.815,1299 0.06,1300 6.609,1305 42.815,1306 106.152,1307 254.744,1308 329.418,1309 362.438,1310 364.438,1311 364.438,1312 73.286,1313 9.13,1314 95.05,1315 95.05,1316 34,1317 13.133,1318 4.322,1319 3.585,1320 51.076,1321 174,1322 211,1323 0.139,1324 255.678,1325 449.86,1326 615.615,1327 145770,1329 25.681,1330 0.694,1331 0.573,1332 25.681,1333 21.184,1334 17.902,1335 0.426,1336 0.305,1337 12.619,1338 17.109,1339 12.327,1340 10.115,1341 17.902,1342 12.83,1343 16.699,1344 0.269,1345 0.165,1346 16.699,1347 10.204,1348 14.981,1349 0.17,1350 0.089,1351 14.981,1352 7.826,1353 12.955,1354 0.107,1355 0.047,1356 12.955,1357 5.702,1358 10.519,1359 0.068,1360 0.027,1361 10.519,1362 4.131,1363 0.22,1364 112.92,1365 0.188,1366 33.64,1367 0.378,1368 208,1369 585.582,1370 229.065,1371 558.93,1372 771.1,1373 524,1374 254,1375 577.252,1376 278.284,1377 581.101,1378 863.88,1379 547,1380 7.409}
{0 CHEMBL1092546,1 1.568,2 14.083,3 2.839,4 8.061,5 137.38,6 7.373,7 0.55,8 4.298,9 4.432,10 3.865,11 3.77,12 5.373,13 3.769,14 4.846,15 5.043,16 4.208,17 4.153,18 5.896,19 4.131,20 5.052,21 5.268,22 4.233,23 4.293,24 6.039,25 4.234,26 5.127,27 5.383,28 4.226,29 4.294,30 6.105,31 4.217,32 5.08,33 5.317,34 4.253,35 4.293,36 6.094,37 4.24,38 5.059,39 5.26,40 4.264,41 4.352,42 6.081,43 4.291,44 5.142,45 5.372,46 4.167,47 4.379,48 6.072,49 4.276,50 5.131,51 5.38,52 4.064,53 4.321,54 6.022,55 4.181,56 0.036,57 1.057,58 13.881,59 5.208,60 9.164,61 7.419,62 0.518,63 1.645,64 27.29,65 8.365,66 36.368,67 12.211,68 0.448,69 1.92,70 34.234,71 10.641,72 41.428,73 15.904,74 0.5,75 1.977,76 38.481,77 11.797,78 56.976,79 18.185,80 0.502,81 1.911,82 36.288,83 10.823,84 54.782,85 16.373,86 0.391,87 1.967,88 33.562,89 11.264,90 44.258,91 16.246,92 0.537,93 2.025,94 37.735,95 12.761,96 47.001,97 18.725,98 0.401,99 1.896,100 38.06,101 14.507,102 52.701,103 21.11,104 13,105 55,106 0.247,107 0.581,108 0.752,109 0.833,110 0.833,111 0.833,112 3.616,113 0.9,114 -4.65,115 -4.57,116 -4.3,119 39.4,124 2,125 6,142 8,143 2,144 1,145 1,147 2,149 1,151 1,159 1,161 1,172 7,174 3,175 9,178 3,179 1,180 3,183 5,186 2,187 8,192 3,195 2,198 4,199 9,202 1,204 5,207 1,211 2,212 10,217 3,220 3,224 9,227 2,229 2,232 6,236 4,237 4,245 6,249 2,250 5,253 4,255 1,258 5,263 4,268 1,271 3,275 2726,276 24.654,277 24.654,278 24.654,279 24.654,280 24.654,281 21.99,282 29.812,283 14.85,284 25.409,285 19.823,286 19.823,287 19.823,288 19.823,289 19.823,290 15.736,291 40.692,292 7.159,293 21.022,294 4.476,295 2.349,296 1.265,297 0.75,298 0.75,299 0.75,300 4.324,305 1,306 1109,307 3.808,310 91.17,311 461.364,314 160.668,318 2.139,319 27.787,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78,331 507,332 4.674,333 3.562,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.349,343 6.112,344 3.777,345 2.802,346 3.792,347 0.86,348 8.949,349 2.733,350 3.977,351 2.917,352 6.099,353 3.601,354 2.681,355 3.479,356 0.8,357 8.833,358 2.511,359 3.904,360 2.803,361 5.568,362 3.589,363 2.643,364 3.306,365 0.8,366 7.635,367 2.446,368 3.757,369 2.57,370 5.323,371 3.356,372 2.401,373 3.138,374 0.247,375 6.925,376 2.29,377 3.406,378 2.543,379 5.143,380 3.137,381 2.218,382 2.655,384 5.939,385 2.037,386 3.268,387 2.406,388 4.679,389 2.949,390 1.977,391 2.33,393 5.114,394 1.923,395 3.109,396 2.309,397 4.65,398 2.864,399 1.925,400 2.177,402 5.069,403 1.786,404 2.968,405 1.894,406 4.411,407 2.461,408 1.509,409 2.148,411 4.256,412 1.436,413 2.843,414 1.535,415 4.332,416 2.382,417 1.478,418 1.974,420 3.881,421 1.347,422 2.728,423 1.519,424 3.762,425 2.356,426 1.374,427 1.798,428 2.995,429 1.324,430 2.5,431 1.322,432 3.569,433 2.078,434 1.163,435 1.5,436 2.9,437 1.058,438 2.5,439 1.256,440 3.431,441 2,442 1,443 1.5,445 2.275,446 1,447 2.471,448 1,449 3.414,450 1.958,451 1,452 1.464,454 2.136,455 0.956,456 2.111,457 1,458 3.247,459 1.952,460 1,461 1.041,463 2.136,464 0.946,465 16.867,466 0.469,467 0.78,468 0.022,469 48.5,470 1.347,471 23,472 0.639,473 25.5,474 0.708,475 30.135,476 0.837,477 38.933,478 0.59,479 39.803,480 1.106,481 9.802,482 0.272,483 7.762,484 0.216,485 0.079,487 0.308,493 0.891,494 1.641,495 0.786,496 1.231,497 0.646,498 1.023,499 1.111,500 0.972,501 0.923,502 0.836,503 0.639,504 0.843,505 1.14,506 1.21,507 1.046,508 1.048,509 0.99,510 1.034,511 0.771,512 1.017,513 0.857,514 0.94,515 0.763,516 0.905,517 1.117,518 0.963,519 0.908,520 0.833,521 1.232,522 0.826,523 1.142,524 1.146,525 1.119,526 1.12,527 1.206,528 1.112,529 0.91,530 0.983,531 1.168,532 1.117,533 0.779,534 1.166,535 0.427,536 1.083,537 0.939,538 1.259,539 0.427,540 1.203,541 6.5,542 0.228,543 3.333,544 1.819,545 1.649,546 1.545,547 0.897,548 0.316,549 0.435,550 0.337,551 20893,552 52424,553 2.137,554 45.5,556 26,557 1,558 1,559 2,564 1.775,565 2.038,566 3.726,567 0.204,573 103.512,574 1.568,575 3.695,576 4.779,577 5.294,578 5.294,579 5.294,580 3.232,581 4.705,582 5.134,583 3.949,584 2487.67,585 9.037,586 40457.1,591 398.93,592 1.256,593 5.118,594 0.162,595 0.007,596 0.061,597 0.033,598 0.031,599 0.027,600 0.016,601 0.006,602 0.01,603 0.009,604 0.361,605 0.17,606 0.75,607 0.873,608 197.704,609 -0.046,610 -0.392,611 0.075,612 -0.16,613 -0.032,614 -0.045,615 0.036,616 0.175,617 0.033,618 0.13,619 0.106,620 0.085,621 -0.119,622 -0.136,623 -0.088,624 -0.063,625 -0.076,626 -0.072,627 0.084,628 -0.008,629 0.122,630 0.028,631 0.126,632 0.075,633 -0.084,634 0.076,635 0.074,636 0.134,637 -0.016,638 0.136,639 -0.162,640 -0.04,641 -0.184,642 -0.109,643 -0.128,644 -0.142,645 -0.056,646 0.066,647 -0.224,648 -0.109,649 -0.108,650 -0.177,651 0.227,652 -0.137,653 0.003,654 -0.197,655 0.172,656 -0.149,657 2.021,658 5.311,659 0.75,660 48.065,661 1.003,662 1.136,663 3.42,664 11.693,665 0.657,666 3.714,667 4.025,668 4.29,669 4.585,670 4.852,671 4.984,672 5.198,673 5.375,674 5.485,675 5.62,676 8.258,677 0.627,678 486.64,679 3.714,680 5.252,681 6.098,682 6.974,683 7.843,684 8.731,685 9.613,686 10.508,687 11.4,688 12.3,689 12.1,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 66,733 23,734 1,735 40,737 70,738 26,739 17,740 2,741 4,746 5,747 6,751 1,761 18,762 8,766 1,771 1,775 1,781 30,782 9,783 2,784 10,790 8,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,836 1,839 1,840 4,844 2,848 36,854 6,855 2,856 1,859 2,870 3,873 1,874 1,877 17.667,878 12.367,879 7.889,880 3.846,881 4.003,882 1.476,883 1,884 7.538,885 12.407,886 3.97,887 4.557,888 5.144,889 5.774,890 6.342,891 6.712,892 7.216,893 7.679,894 8.003,895 8.415,896 1,897 55,898 13.291,900 5.573,901 7.634,902 25.612,904 20.761,905 2.134,906 76.833,910 329.591,911 149.795,912 94.526,914 36.145,917 149.795,918 365.736,919 94.526,920 16.793,921 53.629,922 84.857,923 99.988,924 28.038,925 20.703,926 306.049,928 329.591,929 244.321,930 36.145,933 331.919,934 25.145,935 11,937 69.415,938 122.221,939 50.357,941 329.591,942 130.671,943 149.795,946 329.591,947 39.098,948 118.845,949 36.022,950 86.501,951 329.591,952 130.671,953 149.795,955 0.574,956 0.322,957 0.179,958 0.103,959 26,960 11,961 0.1,962 7,963 1,964 1.074,965 4.716,966 347.001,967 0.074,968 27,969 176.117,974 24.348,975 11.145,976 5.91,977 1.962,978 128.772,979 18.708,980 14.036,984 3.608,985 2.183,986 36.022,987 610.057,988 52,993 12.311,997 -0.354,999 66.189,1000 74.972,1001 0.259,1002 0.611,1003 0.791,1004 0.876,1005 0.876,1006 0.876,1007 5.201,1008 1.925,1009 6.066,1010 5.114,1011 4.71,1012 5.244,1013 2.219,1014 6.858,1015 4.599,1016 6.389,1017 1.509,1018 7.604,1019 5.069,1020 4.205,1021 4.987,1022 1.404,1023 7.711,1024 4.039,1025 7.683,1026 1.478,1027 9.244,1028 4.256,1029 6.275,1030 7.432,1031 2.581,1032 10.834,1033 6.058,1034 9.013,1035 1.374,1036 10.946,1037 3.881,1038 6.608,1039 8.06,1040 2.382,1041 12.573,1042 6.339,1043 10.38,1044 1.163,1045 12.69,1046 2.995,1047 8.126,1048 9.966,1049 3.295,1050 15.211,1051 7.807,1052 11.773,1053 1,1054 14.466,1055 2.9,1056 8.866,1057 11.035,1058 3.421,1059 17.33,1060 8.496,1061 13.189,1062 1,1063 16.265,1064 2.275,1065 10.153,1066 12.712,1067 4.17,1068 19.811,1069 9.735,1070 3.255,1071 1,1072 18.082,1073 2.136,1074 11.1,1075 14.01,1076 4.467,1077 22.098,1078 10.63,1079 2.802,1080 11.398,1081 19.913,1082 2.136,1083 12.292,1084 15.589,1085 5.115,1086 24.531,1087 11.774,1088 2.681,1089 8.949,1090 21.757,1091 4.627,1092 13.345,1093 17.003,1094 5.504,1095 26.893,1096 12.774,1097 2.643,1098 8.833,1099 23.611,1100 3.792,1101 14.505,1102 18.544,1103 6.092,1104 29.316,1105 13.884,1106 2.401,1107 7.635,1108 25.474,1109 3.479,1110 15.611,1111 20.016,1112 6.531,1113 31.713,1114 14.937,1115 2.218,1116 6.925,1117 27.343,1118 3.306,1119 16.764,1120 21.545,1121 7.084,1122 34.135,1123 16.039,1124 1.977,1125 5.939,1126 29.219,1127 3.138,1128 17.899,1129 23.045,1130 7.551,1131 36.549,1132 17.119,1133 19585,1134 31243,1135 27.334,1136 43.33,1137 59.839,1138 60.673,1139 60.429,1140 59.599,1141 59.573,1142 77.031,1143 8.726,1144 167.569,1145 56.306,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 2.912,1153 18.808,1154 5.085,1155 14.542,1156 1.496,1157 1.517,1158 1.511,1159 1.49,1160 1.489,1161 1.926,1162 0.218,1163 4.189,1164 1.408,1165 4.143,1166 4.188,1167 4.115,1168 4.006,1169 7.431,1170 4.027,1171 3.912,1172 3.953,1173 3.86,1174 3.816,1175 5.083,1176 3.82,1177 3.848,1178 3.889,1179 3.788,1180 3.736,1181 4.903,1182 3.744,1183 3.748,1184 3.811,1185 3.634,1186 3.523,1187 4.716,1188 3.54,1189 3.632,1190 3.715,1191 3.491,1192 3.411,1193 4.615,1194 3.417,1195 3.442,1196 3.492,1197 3.386,1198 3.189,1199 4.405,1200 3.231,1201 3.28,1202 3.349,1203 3.196,1204 3.039,1205 4.274,1206 3.069,1207 3.111,1208 3.206,1209 2.947,1210 2.941,1211 4.028,1212 2.91,1213 0.117,1214 0.089,1215 0.171,1216 0.105,1217 0.081,1218 4.674,1219 0.116,1220 3.562,1221 0.041,1222 6.841,1223 0.285,1224 4.202,1225 0.077,1226 3.255,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.921,1233 2.031,1234 2.091,1235 1.227,1236 2.07,1237 1.823,1238 1.781,1239 1.944,1240 1.992,1241 1.169,1242 1.978,1243 1.794,1244 1.754,1245 1.93,1246 1.943,1247 1.102,1248 1.942,1249 1.697,1250 1.624,1251 1.916,1252 1.936,1253 0.936,1254 1.937,1255 1.578,1256 1.528,1257 1.731,1258 1.786,1259 0.881,1260 1.774,1261 1.439,1262 1.357,1263 1.681,1264 1.678,1265 0.825,1266 1.683,1267 1.275,1268 1.229,1269 1.513,1270 1.567,1271 0.776,1272 1.525,1273 1.153,1274 1.064,1275 1.419,1276 1.376,1277 0.493,1278 1.429,1279 4.394,1281 5.707,1282 2.398,1283 7.21,1284 4.727,1285 8.802,1286 6.843,1287 10.445,1289 4.134,1295 4.707,1296 5.548,1297 5.561,1300 4.428,1305 41.396,1306 103.512,1307 243.897,1308 315.42,1309 349.42,1310 349.42,1311 349.42,1312 52.442,1313 8.404,1314 100.44,1315 100.44,1316 29,1317 12.824,1318 4.585,1319 3.7,1320 54.462,1321 173,1322 204,1323 0.148,1324 253.35,1325 429.5,1326 609.934,1327 57473,1329 24.907,1330 0.692,1331 0.57,1332 24.907,1333 20.516,1334 17.564,1335 0.439,1336 0.3,1337 11.776,1338 16.719,1339 11.496,1340 9.529,1341 17.564,1342 12.005,1343 15.791,1344 0.287,1345 0.162,1346 15.791,1347 8.891,1348 12.85,1349 0.178,1350 0.083,1351 12.85,1352 6.005,1353 11.001,1354 0.113,1355 0.042,1356 11.001,1357 4.101,1358 9.185,1359 0.072,1360 0.022,1361 9.185,1362 2.847,1363 0.235,1364 110.978,1365 0.191,1366 33.231,1367 0.398,1368 190,1369 548.007,1370 211.661,1371 528.071,1372 731.35,1373 498,1374 222,1375 545.273,1376 244.609,1377 552.179,1378 809.41,1379 518,1380 6.848}
{0 CHEMBL1092547,1 1.568,2 14.083,3 2.3,4 5.29,5 137.066,6 7.373,7 0.55,8 4.298,9 4.432,10 3.865,11 3.77,12 5.375,13 3.769,14 4.845,15 5.042,16 4.205,17 4.154,18 5.89,19 4.133,20 5.051,21 5.265,22 4.234,23 4.301,24 6.041,25 4.239,26 5.136,27 5.395,28 4.222,29 4.299,30 6.092,31 4.221,32 5.084,33 5.319,34 4.258,35 4.293,36 6.124,37 4.24,38 5.056,39 5.258,40 4.26,41 4.357,42 6.062,43 4.293,44 5.141,45 5.367,46 4.168,47 4.385,48 6.07,49 4.28,50 5.142,51 5.395,52 4.067,53 4.32,54 6.033,55 4.18,56 0.036,57 1.057,58 13.881,59 5.208,60 9.497,61 7.419,62 0.503,63 1.643,64 27.286,65 8.289,66 35.566,67 12.155,68 0.459,69 1.923,70 34.097,71 10.843,72 41.393,73 16.054,74 0.434,75 1.985,76 38.895,77 11.914,78 51.63,79 18.413,80 0.592,81 1.913,82 36.536,83 10.837,84 63.84,85 16.31,86 0.374,87 1.965,88 33.398,89 11.392,90 40.7,91 16.436,92 0.515,93 2.026,94 37.482,95 12.952,96 45.823,97 18.904,98 0.408,99 1.908,100 38.686,101 14.552,102 54.181,103 21.285,104 13,105 55,106 0.247,107 0.587,108 0.746,109 0.821,110 0.833,111 0.833,112 3.616,113 0.9,114 -3.84,115 -3.8,116 -3.61,119 39.4,124 2,125 6,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 6,174 3,175 8,178 2,179 1,180 3,183 4,186 2,187 8,190 1,192 3,195 2,198 3,199 9,204 4,207 1,211 3,212 10,215 1,217 3,220 3,224 6,227 2,229 1,232 6,236 4,237 4,245 6,249 2,250 6,253 4,255 1,258 3,263 5,268 1,271 1,275 2726,276 24.654,277 24.654,278 24.654,279 24.654,280 24.654,281 21.99,282 29.812,283 14.85,284 25.407,285 19.823,286 19.823,287 19.823,288 19.823,289 19.823,290 15.736,291 40.692,292 7.159,293 21.011,294 4.476,295 2.313,296 1.302,297 0.822,298 0.75,299 0.75,300 4.324,305 1,306 1109,307 3.808,310 91.17,311 461.364,314 160.668,318 2.139,319 27.743,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78,331 507,332 4.674,333 3.562,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.349,343 6.112,344 3.778,345 2.802,346 3.792,347 0.86,348 8.949,349 2.734,350 3.977,351 2.917,352 6.099,353 3.609,354 2.681,355 3.479,356 0.8,357 8.833,358 2.537,359 3.904,360 2.803,361 5.568,362 3.591,363 2.643,364 3.306,365 0.8,366 7.635,367 2.446,368 3.757,369 2.57,370 5.323,371 3.364,372 2.401,373 3.138,374 0.247,375 6.925,376 2.31,377 3.406,378 2.543,379 5.143,380 3.137,381 2.218,382 2.655,384 5.939,385 2.037,386 3.268,387 2.406,388 4.679,389 2.949,390 1.977,391 2.33,393 5.114,394 1.922,395 3.109,396 2.309,397 4.65,398 2.864,399 1.925,400 2.177,402 5.069,403 1.785,404 2.968,405 1.894,406 4.411,407 2.456,408 1.509,409 2.148,411 4.256,412 1.429,413 2.843,414 1.535,415 4.332,416 2.381,417 1.478,418 1.974,420 3.881,421 1.328,422 2.728,423 1.519,424 3.762,425 2.34,426 1.374,427 1.798,428 2.995,429 1.319,430 2.5,431 1.322,432 3.569,433 2.078,434 1.163,435 1.5,436 2.9,437 1.058,438 2.5,439 1.256,440 3.431,441 2,442 1,443 1.5,445 2.275,446 1,447 2.471,448 1,449 3.414,450 1.956,451 1,452 1.464,454 2.136,455 0.953,456 2.111,457 1,458 3.247,459 1.952,460 1,461 1.041,463 2.136,464 0.946,465 16.867,466 0.469,467 0.78,468 0.022,469 48.5,470 1.347,471 23,472 0.639,473 25.5,474 0.708,475 30.147,476 0.837,477 38.933,478 0.59,479 39.791,480 1.105,481 9.802,482 0.272,483 7.761,484 0.216,485 0.079,487 0.308,493 0.891,494 1.641,495 0.786,496 1.231,497 0.64,498 1.023,499 1.147,500 0.988,501 0.929,502 0.826,503 0.655,504 0.835,505 1.102,506 1.187,507 1.052,508 1.065,509 0.971,510 1.054,511 0.81,512 1.052,513 0.848,514 0.948,515 0.796,516 0.899,517 1.124,518 0.912,519 0.926,520 0.812,521 1.325,522 0.826,523 1.071,524 1.124,525 1.097,526 1.115,527 1.067,528 1.105,529 0.878,530 1.01,531 1.17,532 1.153,533 0.764,534 1.194,535 0.431,536 1.089,537 0.929,538 1.249,539 0.423,540 1.191,541 6.5,542 0.228,543 3.333,544 1.819,545 1.649,546 1.545,547 0.897,548 0.316,549 0.435,550 0.337,551 20893,552 52636,553 2.137,554 45.5,556 25,557 1,558 2,559 2,564 1.775,565 2.038,566 3.726,567 0.204,573 103.512,574 1.568,575 3.731,576 4.743,577 5.222,578 5.294,579 5.294,580 3.232,581 4.705,582 5.134,583 3.949,584 2487.67,585 9.037,586 40457.1,591 398.93,592 1.256,593 5.118,594 0.162,595 0.007,596 0.061,597 0.033,598 0.031,599 0.027,600 0.016,601 0.006,602 0.01,603 0.009,604 0.361,605 0.33,606 0.75,607 0.873,608 197.704,609 -0.046,610 -0.392,611 0.075,612 -0.16,613 -0.026,614 -0.045,616 0.16,617 0.027,618 0.139,619 0.09,620 0.094,621 -0.092,622 -0.111,623 -0.098,624 -0.074,625 -0.068,626 -0.089,627 0.03,628 -0.052,629 0.13,630 0.023,631 0.084,632 0.085,633 -0.041,634 0.129,635 0.06,636 0.15,637 0.005,638 0.129,639 -0.143,640 -0.02,641 -0.168,642 -0.097,643 -0.104,644 -0.128,645 -0.044,646 0.039,647 -0.232,648 -0.136,649 -0.105,650 -0.199,651 0.23,652 -0.149,653 0.018,654 -0.194,655 0.181,656 -0.139,657 1.998,658 5.324,659 0.75,660 48.065,661 1.003,662 1.136,663 2.608,664 6.799,665 0.657,666 3.714,667 4.025,668 4.29,669 4.585,670 4.852,671 4.984,672 5.198,673 5.375,674 5.485,675 5.62,676 8.258,677 0.627,678 486.64,679 3.714,680 5.252,681 6.098,682 6.974,683 7.843,684 8.731,685 9.613,686 10.508,687 11.4,688 12.3,689 12.1,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 66,733 23,734 1,735 40,737 70,738 26,739 17,740 2,741 4,746 5,747 6,751 1,761 18,762 8,766 1,771 1,775 1,781 30,782 9,783 2,784 10,790 8,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,836 1,839 1,840 4,844 2,848 36,854 6,855 2,856 1,859 2,870 3,873 1,874 1,877 17.667,878 12.367,879 7.889,880 3.835,881 4.003,882 1.476,883 1,884 7.538,885 12.407,886 3.97,887 4.557,888 5.144,889 5.774,890 6.342,891 6.712,892 7.216,893 7.679,894 8.003,895 8.415,896 1,897 55,898 13.289,900 5.571,901 7.634,902 25.612,904 20.769,905 2.134,906 76.833,910 329.591,911 149.795,912 94.526,914 36.145,917 149.795,918 365.736,919 94.526,920 16.793,921 53.629,922 75.381,923 111.759,924 39.843,925 18.375,926 294.278,928 329.591,929 244.321,930 36.145,933 331.919,934 25.145,935 11,937 78.463,938 113.174,939 50.357,941 329.591,942 130.671,943 149.795,946 329.591,947 39.527,948 118.416,949 36.022,950 86.501,951 329.591,952 130.671,953 149.795,955 0.574,956 0.322,957 0.179,958 0.103,959 26,960 11,961 0.1,962 7,963 1,964 1.074,965 4.716,966 347.001,967 0.074,968 27,969 176.117,974 24.348,975 11.145,976 5.91,977 1.964,978 128.772,979 18.552,980 13.937,984 3.76,985 2.184,986 36.022,987 610.057,988 52,993 12.324,997 -0.332,999 66.189,1000 74.972,1001 0.259,1002 0.617,1003 0.785,1004 0.864,1005 0.876,1006 0.876,1007 5.201,1008 1.925,1009 6.066,1010 5.114,1011 4.71,1012 5.244,1013 2.219,1014 6.858,1015 4.601,1016 6.389,1017 1.509,1018 7.604,1019 5.069,1020 4.205,1021 4.987,1022 1.404,1023 7.711,1024 4.049,1025 7.683,1026 1.478,1027 9.244,1028 4.256,1029 6.275,1030 7.432,1031 2.581,1032 10.834,1033 6.064,1034 9.013,1035 1.374,1036 10.946,1037 3.881,1038 6.608,1039 8.06,1040 2.382,1041 12.573,1042 6.351,1043 10.38,1044 1.163,1045 12.69,1046 2.995,1047 8.126,1048 9.966,1049 3.295,1050 15.211,1051 7.817,1052 11.773,1053 1,1054 14.466,1055 2.9,1056 8.866,1057 11.035,1058 3.421,1059 17.33,1060 8.51,1061 13.189,1062 1,1063 16.265,1064 2.275,1065 10.153,1066 12.712,1067 4.17,1068 19.811,1069 9.746,1070 3.255,1071 1,1072 18.082,1073 2.136,1074 11.1,1075 14.01,1076 4.467,1077 22.098,1078 10.643,1079 2.802,1080 11.398,1081 19.913,1082 2.136,1083 12.292,1084 15.589,1085 5.115,1086 24.531,1087 11.786,1088 2.681,1089 8.949,1090 21.757,1091 4.627,1092 13.345,1093 17.003,1094 5.504,1095 26.893,1096 12.786,1097 2.643,1098 8.833,1099 23.611,1100 3.792,1101 14.505,1102 18.544,1103 6.092,1104 29.316,1105 13.895,1106 2.401,1107 7.635,1108 25.474,1109 3.479,1110 15.611,1111 20.016,1112 6.531,1113 31.713,1114 14.947,1115 2.218,1116 6.925,1117 27.343,1118 3.306,1119 16.764,1120 21.545,1121 7.084,1122 34.135,1123 16.048,1124 1.977,1125 5.939,1126 29.219,1127 3.138,1128 17.899,1129 23.045,1130 7.551,1131 36.549,1132 17.127,1133 19585,1134 31301,1135 27.334,1136 43.33,1137 59.839,1138 60.673,1139 60.429,1140 59.588,1141 59.573,1142 77.031,1143 8.726,1144 167.569,1145 56.332,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 2.912,1153 18.808,1154 5.085,1155 14.542,1156 1.496,1157 1.517,1158 1.511,1159 1.49,1160 1.489,1161 1.926,1162 0.218,1163 4.189,1164 1.408,1165 4.143,1166 4.188,1167 4.115,1168 4.006,1169 7.431,1170 4.027,1171 3.914,1172 3.955,1173 3.861,1174 3.817,1175 5.083,1176 3.821,1177 3.849,1178 3.89,1179 3.789,1180 3.74,1181 4.907,1182 3.748,1183 3.748,1184 3.811,1185 3.634,1186 3.523,1187 4.716,1188 3.54,1189 3.632,1190 3.715,1191 3.491,1192 3.41,1193 4.615,1194 3.417,1195 3.436,1196 3.487,1197 3.382,1198 3.182,1199 4.406,1200 3.223,1201 3.278,1202 3.347,1203 3.194,1204 3.031,1205 4.274,1206 3.063,1207 3.111,1208 3.206,1209 2.946,1210 2.941,1211 4.049,1212 2.91,1213 0.117,1214 0.089,1215 0.171,1216 0.105,1217 0.081,1218 4.674,1219 0.116,1220 3.562,1221 0.041,1222 6.841,1223 0.285,1224 4.202,1225 0.077,1226 3.255,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.921,1233 2.031,1234 2.091,1235 1.227,1236 2.07,1237 1.826,1238 1.785,1239 1.943,1240 1.993,1241 1.169,1242 1.979,1243 1.793,1244 1.754,1245 1.927,1246 1.943,1247 1.102,1248 1.942,1249 1.697,1250 1.624,1251 1.916,1252 1.936,1253 0.945,1254 1.937,1255 1.578,1256 1.528,1257 1.731,1258 1.786,1259 0.881,1260 1.773,1261 1.439,1262 1.357,1263 1.681,1264 1.678,1265 0.825,1266 1.683,1267 1.264,1268 1.217,1269 1.513,1270 1.561,1271 0.776,1272 1.516,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.492,1278 1.429,1279 4.394,1281 5.707,1282 2.398,1283 7.21,1284 4.727,1285 8.802,1286 6.843,1287 10.445,1289 4.135,1295 4.71,1296 5.609,1297 5.562,1300 4.43,1305 41.396,1306 103.512,1307 246.246,1308 313.014,1309 344.665,1310 349.42,1311 349.42,1312 52.746,1313 8.404,1314 100.44,1315 100.44,1316 29,1317 12.824,1318 4.585,1319 3.7,1320 54.462,1321 173,1322 204,1323 0.148,1324 253.35,1325 429.5,1326 609.934,1327 57473,1329 24.907,1330 0.692,1331 0.57,1332 24.907,1333 20.516,1334 17.564,1335 0.439,1336 0.3,1337 11.765,1338 16.714,1339 11.481,1340 9.519,1341 17.564,1342 11.994,1343 15.791,1344 0.287,1345 0.162,1346 15.791,1347 8.918,1348 12.85,1349 0.178,1350 0.084,1351 12.85,1352 6.018,1353 11.001,1354 0.113,1355 0.042,1356 11.001,1357 4.115,1358 9.185,1359 0.072,1360 0.022,1361 9.185,1362 2.845,1363 0.235,1364 111.024,1365 0.191,1366 33.231,1367 0.398,1368 190,1369 548.007,1370 211.273,1371 528.263,1372 730.43,1373 498,1374 222,1375 542.921,1376 244.47,1377 550.778,1378 806.07,1379 516,1380 7.796}
{0 CHEMBL1092554,1 1.508,2 7.818,3 3.269,4 10.683,5 84.591,6 7.36,7 0.64,8 3.811,9 3.934,10 3.391,11 3.341,12 4.847,13 3.33,14 4.362,15 4.541,16 3.743,17 3.728,18 5.355,19 3.701,20 4.548,21 4.762,22 3.752,23 3.826,24 5.496,25 3.758,26 4.545,27 4.79,28 3.687,29 3.781,30 5.449,31 3.707,32 4.487,33 4.712,34 3.679,35 3.778,36 5.423,37 3.71,38 4.521,39 4.74,40 3.613,41 3.805,42 5.445,43 3.716,44 4.498,45 4.733,46 3.401,47 3.702,48 5.363,49 3.566,50 4.349,51 4.625,52 2.994,53 3.46,54 5.089,55 3.278,56 0.015,57 0.623,58 8.358,59 3.436,60 5.446,61 4.644,62 0.202,63 1.01,64 16.382,65 5.679,66 16.927,67 7.775,68 0.306,69 1.18,70 20.527,71 7.018,72 23.763,73 9.982,74 0.201,75 1.177,76 20.876,77 6.647,78 22.569,79 10.023,80 0.226,81 1.117,82 19.273,83 6.269,84 22.357,85 9.262,86 0.247,87 1.132,88 19.836,89 6.676,90 23.253,91 9.634,92 0.188,93 1.013,94 19.95,95 7.525,96 23.514,97 10.651,98 0.155,99 0.815,100 18.154,101 6.743,102 19.176,103 9.696,104 2,105 35,106 0.266,107 0.625,108 0.778,109 0.829,110 0.829,111 0.829,112 3.148,113 0.907,114 -3.75,115 -3.71,116 -3.53,119 42.5,120 1,125 4,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 7,174 2,175 3,180 1,183 8,186 1,187 4,190 3,195 5,198 1,199 7,207 2,211 1,212 6,217 1,220 2,224 2,227 1,229 2,232 2,236 1,237 4,242 2,245 2,250 2,255 2,263 2,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.88,283 9.15,284 15.722,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 16.332,292 4.385,293 13.088,294 3.814,295 1.779,296 0.909,297 0.619,298 0.619,299 0.619,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 13.839,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47,331 172,332 4.604,333 3.305,334 6.732,335 4.141,336 3.194,337 4.53,338 0.86,339 11.013,340 3.026,341 4.155,342 2.873,343 6.124,344 3.761,345 2.783,346 3.786,347 0.8,348 9.011,349 2.727,350 3.738,351 2.688,352 5.766,353 3.438,354 2.505,355 3.075,357 7.812,358 2.329,359 3.598,360 2.348,361 5.05,362 3.192,363 2.212,364 2.984,366 6.078,367 2.166,368 3.015,369 2.233,370 4.678,371 2.706,372 1.79,373 2.142,375 4.788,376 1.636,377 2.935,378 1.556,379 4.323,380 2.431,381 1.471,382 2.088,384 4.025,385 1.41,386 2.657,387 1.519,388 3.708,389 2.165,390 1.246,391 1.731,393 2.925,394 1.152,395 2.5,396 1.256,397 3.481,398 2.095,399 1.155,400 1.5,402 2.568,403 1.066,404 2.373,405 1.181,406 3.443,407 1.96,408 1,409 1.358,411 2.34,412 0.957,413 2,414 1,415 3.326,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.929,423 0.595,424 3.247,425 1.456,426 0.528,427 0.728,428 1.449,429 0.489,430 0.998,431 -0.131,432 2.707,433 0.607,434 -0.381,435 -0.492,436 -0.872,437 -0.365,438 0.909,439 -0.295,440 2.541,441 0.511,442 -0.425,443 -0.523,445 -1.123,446 -0.408,447 0.73,448 -0.36,449 2.182,450 0.343,451 -0.624,452 -0.783,454 -1.682,455 -0.602,456 0.5,457 -0.568,458 2,459 0.016,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.433,466 0.474,467 0.448,468 0.02,469 29.75,470 1.352,471 14.5,472 0.659,473 15.25,474 0.693,475 15.936,476 0.724,477 23.167,478 0.579,479 19.284,480 0.877,481 5.889,482 0.268,483 4.92,484 0.224,485 0.048,487 0.326,493 0.922,494 1.426,495 0.773,496 1.122,497 0.863,498 0.956,499 1.356,500 1.074,501 0.913,502 0.889,503 1.043,504 0.856,505 1.028,506 1.061,507 0.996,508 0.979,509 0.992,510 0.988,511 0.886,512 1.098,513 0.912,514 0.914,515 1.055,516 0.899,517 0.98,518 1.032,519 0.99,520 0.909,521 1.036,522 0.925,523 1.102,524 0.977,525 1.201,526 1.038,527 1.295,528 1.1,529 0.873,530 1.075,531 1.134,532 1.241,533 0.956,534 1.23,535 0.846,536 0.922,537 1.067,538 1.112,539 0.803,540 1.127,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 11203,553 2.205,554 45,555 3,556 13,557 1,559 1,564 1.651,565 2.129,566 2.995,567 -0.31,568 1,569 1,571 1,573 60.332,574 1.508,575 3.543,576 4.413,577 4.703,578 4.703,579 4.703,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,589 1,590 1,591 212.877,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.83,606 1,607 0.405,608 98.781,609 -0.023,610 -0.258,611 0.081,612 -0.099,613 -0.031,614 -0.011,615 -0.084,616 0.022,617 0.033,618 0.076,619 0.007,620 0.064,621 0.066,622 -0.011,623 -0.036,624 -0.024,625 0.031,626 -0.05,627 -0.039,628 -0.051,629 0.053,630 0.021,631 -0.031,632 0.047,633 -0.06,634 0.043,635 -0.039,636 0.035,637 -0.035,638 0.013,639 -0.147,640 0.093,641 -0.259,642 -0.086,643 -0.276,644 -0.162,645 0.022,646 -0.137,647 -0.178,648 -0.235,649 -0.043,650 -0.232,651 -0.034,652 -0.065,653 -0.078,654 -0.099,655 -0.003,656 -0.095,657 0.891,658 1.95,659 0.955,660 14.38,661 0.998,662 1.128,663 2.519,664 6.347,665 0.67,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.637,678 294.39,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 10,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 40,733 16,734 1,735 25,737 43,738 17,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 5,777 1,778 1,781 18,782 4,783 1,784 5,790 4,794 0.75,795 1,806 1,807 1,811 1,812 3,815 1,839 1,840 3,844 1,848 22,854 4,856 1,859 1,870 2.5,874 1,877 10.333,878 7.517,879 4.778,880 2.45,881 3.064,882 1.427,883 1.031,884 3.468,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.12,900 3.447,901 7.5,902 15.892,904 13.221,905 2,906 44,907 0.001,910 200.109,911 93.965,912 53.481,914 11,917 93.965,918 211.109,919 53.481,920 8.825,921 13.396,922 56.429,923 44.571,924 30.753,925 16.243,926 188.338,928 200.109,929 147.446,930 11,933 202.437,935 11,937 41.151,938 70.396,939 33.571,941 200.109,942 64.481,943 93.965,946 200.109,947 28.711,948 68.378,949 16.786,950 44.571,951 200.109,952 64.481,953 93.965,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.047,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 92.107,974 13.588,975 5.615,976 2.582,977 1.95,978 47.695,979 12.232,980 9.538,981 3.268,984 4.007,986 16.786,987 358.555,988 33,999 39.92,1000 45.109,1001 0.283,1002 0.666,1003 0.829,1004 0.884,1005 0.884,1006 0.884,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.163,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.635,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.66,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.995,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.459,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.192,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.426,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.347,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.487,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.496,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.601,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.653,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.746,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.818,1133 4548,1134 7026,1135 17.394,1136 26.807,1137 37.966,1138 37.942,1139 38.154,1140 37.739,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 35.806,1146 5.604,1147 5.305,1148 6.534,1149 5.244,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 5.026,1155 5.832,1156 1.519,1157 1.518,1158 1.526,1159 1.51,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.432,1165 4.121,1166 4.166,1167 4.091,1168 3.987,1169 5.11,1170 4.007,1171 3.887,1172 3.919,1173 3.821,1174 3.818,1175 4.727,1176 3.817,1177 3.731,1178 3.788,1179 3.612,1180 3.511,1181 4.617,1182 3.526,1183 3.315,1184 3.382,1185 3.241,1186 3.144,1187 4.404,1188 3.156,1189 3.123,1190 3.206,1191 2.948,1192 2.958,1193 4.019,1194 2.947,1195 3.111,1196 3.204,1197 2.866,1198 2.941,1199 3.872,1200 2.91,1201 2.945,1202 3.005,1203 2.85,1204 2.757,1205 3.603,1206 2.767,1207 2.695,1208 2.777,1209 2.563,1210 2.467,1211 3.496,1212 2.488,1213 0.184,1214 0.132,1215 0.269,1216 0.166,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.141,1225 0.121,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 3.026,1231 1.96,1232 1.931,1233 2.056,1234 2.085,1235 1.22,1236 2.069,1237 1.798,1238 1.755,1239 1.94,1240 1.962,1241 1.147,1242 1.965,1243 1.601,1244 1.552,1245 1.744,1246 1.806,1247 0.874,1248 1.792,1249 1.458,1250 1.392,1251 1.637,1252 1.682,1253 0.825,1254 1.676,1255 1.213,1256 1.141,1257 1.533,1258 1.409,1259 0.632,1260 1.457,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.608,1266 1.429,1267 0.966,1268 0.916,1269 1.159,1270 1.131,1271 0.249,1272 1.137,1273 0.744,1274 0.664,1275 1.07,1276 1.099,1277 0.229,1278 1.091,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1289 2.085,1295 3.203,1297 5.45,1300 2.267,1305 25.488,1306 60.332,1307 141.704,1308 176.513,1309 188.122,1310 188.122,1311 188.122,1312 23.032,1313 7.182,1314 54.04,1315 54.04,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 154.948,1325 254.83,1326 369.834,1327 11480,1329 14.941,1330 0.679,1331 0.57,1332 14.941,1333 12.542,1334 10.81,1335 0.432,1336 0.302,1337 7.444,1338 10.382,1339 7.268,1340 5.992,1341 10.81,1342 7.56,1343 9.68,1344 0.277,1345 0.159,1346 9.68,1347 5.578,1348 8.347,1349 0.174,1350 0.083,1351 8.347,1352 3.974,1353 7.33,1354 0.111,1355 0.043,1356 7.33,1357 2.846,1358 5.998,1359 0.071,1360 0.022,1361 5.998,1362 1.886,1363 0.348,1364 67.704,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 319.004,1370 131.232,1371 309.089,1372 437.84,1373 294,1374 143,1375 333.059,1376 155.677,1377 337.69,1378 500.57,1379 319,1380 5.822}
{0 CHEMBL1092555,1 1.616,2 7.818,3 2.515,4 6.325,5 81.244,6 7.799,7 0.64,8 3.783,9 3.895,10 3.397,11 3.286,12 4.898,13 3.297,14 4.311,15 4.471,16 3.754,17 3.672,18 5.399,19 3.668,20 4.521,21 4.728,22 3.761,23 3.758,24 5.555,25 3.716,26 4.475,27 4.704,28 3.695,29 3.7,30 5.48,31 3.657,32 4.436,33 4.648,34 3.691,35 3.714,36 5.502,37 3.668,38 4.459,39 4.661,40 3.619,41 3.752,42 5.442,43 3.678,44 4.467,45 4.696,46 3.424,47 3.626,48 5.435,49 3.513,50 4.292,51 4.556,52 3.037,53 3.319,54 5.219,55 3.175,56 0.064,57 0.596,58 7.402,59 3.17,60 7.442,61 3.972,62 0.245,63 0.959,64 14.344,65 5.16,66 17.74,67 6.631,68 0.404,69 1.117,70 19.569,71 6.499,72 29.175,73 8.848,74 0.278,75 1.091,76 18.766,77 5.83,78 26.119,79 8.468,80 0.387,81 1.043,82 17.697,83 5.679,84 34.309,85 8.073,86 0.259,87 1.053,88 17.437,89 6.381,90 19.367,91 8.744,92 0.301,93 0.948,94 19.153,95 7.068,96 26.35,97 9.807,98 0.277,99 0.713,100 17.68,101 6.194,102 29.217,103 8.681,104 2,105 35,106 0.288,107 0.667,108 0.787,109 0.841,110 0.841,111 0.841,112 3.148,113 0.874,114 -3,115 -3,116 -2.9,119 42.1,125 4,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,172 4,174 2,175 3,180 3,183 4,186 1,187 4,190 3,192 2,195 2,198 1,199 5,204 1,207 1,211 1,212 4,215 2,217 1,220 2,224 1,227 1,229 2,232 1,236 1,237 3,240 1,242 2,245 1,250 2,254 1,255 1,263 1,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.611,283 9.15,284 15.762,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 16.024,292 4.385,293 13.167,294 3.632,295 1.503,296 0.832,297 0.526,298 0.526,299 0.526,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 19.666,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48,331 172,332 4.604,333 3.305,334 6.732,335 4.141,336 3.194,337 4.53,338 0.86,339 11.013,340 3.025,341 4.155,342 2.884,343 6.124,344 3.755,345 2.783,346 3.786,347 0.8,348 9.011,349 2.706,350 3.738,351 2.697,352 5.766,353 3.437,354 2.505,355 3.075,357 7.812,358 2.328,359 3.598,360 2.389,361 5.05,362 3.159,363 2.212,364 2.984,366 6.078,367 2.088,368 3.015,369 2.233,370 4.678,371 2.706,372 1.79,373 2.142,375 4.788,376 1.635,377 2.935,378 1.557,379 4.323,380 2.418,381 1.471,382 2.088,384 4.025,385 1.388,386 2.657,387 1.532,388 3.708,389 2.163,390 1.246,391 1.731,393 2.925,394 1.149,395 2.5,396 1.256,397 3.481,398 2.095,399 1.155,400 1.5,402 2.568,403 1.066,404 2.373,405 1.184,406 3.443,407 1.96,408 1,409 1.358,411 2.34,412 0.957,413 2,414 1,415 3.326,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.929,423 0.595,424 3.247,425 1.456,426 0.528,427 0.728,428 1.449,429 0.489,430 0.998,431 -0.057,432 2.707,433 0.559,434 -0.381,435 -0.492,436 -0.872,437 -0.353,438 0.909,439 -0.295,440 2.541,441 0.495,442 -0.425,443 -0.523,445 -1.123,446 -0.389,447 0.73,448 -0.36,449 2.182,450 0.332,451 -0.624,452 -0.783,454 -1.682,455 -0.594,456 0.5,457 -0.566,458 2,459 0.016,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.267,466 0.467,467 0.448,468 0.02,469 30.5,470 1.386,471 15,472 0.682,473 15.5,474 0.705,475 14.873,476 0.676,477 23.333,478 0.614,479 20.347,480 0.925,481 6.089,482 0.277,483 4.721,484 0.215,485 0.032,487 0.331,493 0.977,494 1.405,495 0.748,496 1.077,497 0.935,498 0.903,499 1.163,500 1.143,501 0.911,502 0.955,503 0.735,504 0.896,505 1.032,506 1.027,507 0.974,508 0.929,509 0.941,510 0.944,511 0.881,512 1.136,513 0.914,514 0.927,515 0.865,516 0.904,517 0.819,518 0.925,519 0.969,520 0.839,521 0.74,522 0.895,523 0.838,524 1.067,525 1.146,526 1.156,527 0.752,528 1.181,529 0.757,530 1.045,531 1.082,532 1.25,533 0.75,534 1.235,535 0.887,536 0.898,537 0.994,538 1.125,539 1.027,540 1.103,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 12927,553 2.205,554 42.1,556 13,557 1,559 2,564 1.651,565 2.129,566 2.995,567 0.348,568 1,569 1,571 1,573 61.421,574 1.616,575 3.745,576 4.416,577 4.722,578 4.722,579 4.722,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,590 1,591 199.421,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.67,606 1,607 0.405,608 98.781,609 -0.11,610 -0.241,611 0.051,612 -0.06,613 -0.113,614 0.01,615 -0.126,616 -0.032,617 -0.023,618 0.009,620 0.007,621 -0.024,622 0.007,623 -0.022,624 0.02,625 -0.03,626 -0.008,627 -0.083,628 -0.076,629 0.033,630 0.002,631 -0.043,632 0.038,633 0.034,634 0.155,635 -0.04,636 0.1,637 0.083,638 0.038,639 -0.083,640 -0.01,641 -0.25,642 -0.177,643 -0.104,644 -0.223,645 0.091,646 -0.122,647 -0.115,648 -0.244,649 0.034,650 -0.22,651 0.076,652 -0.087,653 0.053,654 -0.108,655 0.075,656 -0.045,657 1.455,658 3.677,659 0.955,660 14.38,661 1.01,662 1.129,663 1.772,664 3.14,665 0.671,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.649,678 296.36,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 10.5,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,728 1,731 38,733 16,734 1,735 25,737 41,738 16,739 12,740 2,741 4,746 4,747 5,761 12,762 4,777 1,778 1,781 16,782 5,783 2,784 6,790 4,794 0.75,795 2,806 1,807 1,811 1,812 3,815 1,839 1,840 3,848 22,853 1,854 4,856 1,859 1,870 5.3,872 1,874 1,877 10.333,878 6.717,879 4.778,880 2.25,881 3.064,882 1.427,883 1.006,884 3.445,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.113,900 3.496,901 7.682,902 15.593,904 12.989,905 2.182,906 48,910 164.795,911 81.955,912 53.481,914 53.683,917 81.955,918 218.479,919 53.481,921 13.396,922 56.429,923 87.254,924 27.567,925 16.243,926 153.024,928 164.795,929 135.435,930 53.683,933 167.123,934 42.683,935 11,937 32.326,938 67.211,939 33.571,941 164.795,942 107.164,943 81.955,946 164.795,947 25.526,948 59.553,949 16.786,950 87.254,951 164.795,952 107.164,953 81.955,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.049,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,974 13.552,975 5.592,976 2.569,977 1.806,978 90.379,979 10.821,980 9.316,981 3.219,984 2.516,986 59.469,987 353.914,988 33,999 38.363,1000 42.903,1001 0.308,1002 0.714,1003 0.841,1004 0.9,1005 0.9,1006 0.9,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.15,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.603,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.638,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.962,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.432,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.16,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.398,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.316,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.459,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.467,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.573,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.625,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.719,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.792,1133 4548,1134 7530,1135 17.394,1136 25.5,1137 37.966,1138 37.939,1139 38.154,1140 37.802,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 35.553,1146 5.604,1147 5.305,1148 6.534,1149 5.244,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 5.025,1155 5.832,1156 1.519,1157 1.518,1158 1.526,1159 1.512,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.422,1165 4.119,1166 4.164,1167 4.09,1168 3.981,1169 6.471,1170 4.002,1171 3.867,1172 3.893,1173 3.81,1174 3.789,1175 5.106,1176 3.791,1177 3.73,1178 3.788,1179 3.612,1180 3.511,1181 4.638,1182 3.526,1183 3.282,1184 3.343,1185 3.225,1186 3.088,1187 4.616,1188 3.113,1189 3.111,1190 3.206,1191 2.888,1192 2.941,1193 4.365,1194 2.91,1195 2.966,1196 3.014,1197 2.866,1198 2.761,1199 4.013,1200 2.78,1201 2.92,1202 2.967,1203 2.794,1204 2.745,1205 3.605,1206 2.745,1207 2.679,1208 2.758,1209 2.558,1210 2.449,1211 3.52,1212 2.473,1213 0.184,1214 0.132,1215 0.269,1216 0.166,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.141,1225 0.121,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 3.025,1231 1.939,1232 1.912,1233 2.018,1234 2.081,1235 1.218,1236 2.059,1237 1.781,1238 1.741,1239 1.929,1240 1.947,1241 1.081,1242 1.946,1243 1.595,1244 1.549,1245 1.728,1246 1.797,1247 0.856,1248 1.781,1249 1.458,1250 1.392,1251 1.637,1252 1.68,1253 0.825,1254 1.675,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.632,1260 1.429,1261 0.987,1262 0.95,1263 1.162,1264 1.171,1265 0.251,1266 1.152,1267 0.883,1268 0.838,1269 1.119,1270 1.12,1271 0.229,1272 1.126,1273 0.743,1274 0.663,1275 1.07,1276 1.097,1277 0.132,1278 1.091,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1294 9.677,1295 3.024,1297 5.417,1300 2.205,1305 24.676,1306 61.421,1307 142.302,1308 167.812,1309 179.421,1310 179.421,1311 179.421,1312 26.155,1313 7.182,1314 74.27,1315 74.27,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 149.352,1325 246.32,1326 356.179,1327 11480,1329 14.941,1330 0.679,1331 0.545,1332 14.941,1333 11.99,1334 10.81,1335 0.432,1336 0.291,1337 7.152,1338 10.31,1339 7.057,1340 5.774,1341 10.81,1342 7.283,1343 9.68,1344 0.277,1345 0.15,1346 9.68,1347 5.258,1348 8.347,1349 0.174,1350 0.079,1351 8.347,1352 3.802,1353 7.33,1354 0.111,1355 0.041,1356 7.33,1357 2.707,1358 5.998,1359 0.071,1360 0.021,1361 5.998,1362 1.797,1363 0.348,1364 68.281,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 351.153,1370 133.336,1371 336.579,1372 468.96,1373 318,1374 143,1375 352.089,1376 157.338,1377 354.147,1378 524.53,1379 335,1380 7.155}
{0 CHEMBL1092556,1 1.565,2 7.818,3 2.036,4 4.144,5 84.25,6 7.574,7 0.64,8 3.8,9 3.93,10 3.395,11 3.303,12 4.888,13 3.307,14 4.331,15 4.502,16 3.749,17 3.693,18 5.375,19 3.679,20 4.535,21 4.752,22 3.757,23 3.786,24 5.526,25 3.731,26 4.511,27 4.753,28 3.691,29 3.736,30 5.465,31 3.676,32 4.462,33 4.687,34 3.685,35 3.743,36 5.463,37 3.685,38 4.491,39 4.705,40 3.616,41 3.774,42 5.443,43 3.692,44 4.482,45 4.721,46 3.413,47 3.658,48 5.4,49 3.532,50 4.321,51 4.602,52 3.016,53 3.378,54 5.156,55 3.212,56 0.04,57 0.634,58 7.976,59 3.09,60 7.38,61 4.186,62 0.211,63 0.999,64 15.256,65 5.229,66 17.207,67 7.118,68 0.341,69 1.161,70 20.051,71 6.461,72 26.089,73 9.306,74 0.227,75 1.138,76 19.862,77 5.996,78 24.158,79 9.172,80 0.298,81 1.092,82 18.51,83 5.88,84 28.263,85 8.651,86 0.243,87 1.097,88 18.679,89 6.376,90 21.444,91 9.168,92 0.232,93 0.987,94 19.565,95 7.118,96 25.082,97 10.158,98 0.205,99 0.777,100 17.92,101 6.133,102 23.906,103 9.014,104 2,105 35,106 0.277,107 0.655,108 0.784,109 0.837,110 0.837,111 0.837,112 3.148,113 0.882,114 -3,115 -3,116 -2.9,119 41,125 4,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,163 1,164 1,165 1,172 4,174 2,175 3,180 3,183 4,185 2,186 1,187 4,190 3,192 2,195 2,197 2,198 1,199 5,204 1,207 1,209 1,211 1,212 4,214 2,215 2,217 1,220 2,224 1,227 1,229 2,232 1,236 1,237 3,239 1,240 1,242 2,245 1,247 1,250 2,254 1,255 1,257 1,263 1,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 13.617,283 9.15,284 15.742,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 17.362,292 4.385,293 13.126,294 3.72,295 1.587,296 0.862,297 0.564,298 0.564,299 0.564,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 16.441,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 172,332 4.604,333 3.305,334 6.732,335 4.141,336 3.194,337 4.53,338 0.86,339 11.013,340 3.026,341 4.155,342 2.861,343 6.124,344 3.758,345 2.783,346 3.786,347 0.8,348 9.011,349 2.716,350 3.738,351 2.678,352 5.766,353 3.438,354 2.505,355 3.075,357 7.812,358 2.328,359 3.598,360 2.287,361 5.05,362 3.175,363 2.212,364 2.984,366 6.078,367 2.128,368 3.015,369 2.233,370 4.678,371 2.706,372 1.79,373 2.142,375 4.788,376 1.635,377 2.935,378 1.556,379 4.323,380 2.424,381 1.471,382 2.088,384 4.025,385 1.4,386 2.657,387 1.499,388 3.708,389 2.164,390 1.246,391 1.731,393 2.925,394 1.15,395 2.5,396 1.256,397 3.481,398 2.095,399 1.155,400 1.5,402 2.568,403 1.066,404 2.373,405 1.177,406 3.443,407 1.96,408 1,409 1.358,411 2.34,412 0.957,413 2,414 1,415 3.326,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.929,423 0.595,424 3.247,425 1.456,426 0.528,427 0.728,428 1.449,429 0.489,430 0.998,431 -0.246,432 2.707,433 0.58,434 -0.381,435 -0.492,436 -0.872,437 -0.361,438 0.909,439 -0.296,440 2.541,441 0.505,442 -0.425,443 -0.523,445 -1.123,446 -0.398,447 0.73,448 -0.36,449 2.182,450 0.338,451 -0.624,452 -0.783,454 -1.682,455 -0.598,456 0.5,457 -0.574,458 2,459 0.016,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.333,466 0.47,467 0.448,468 0.02,469 30.5,470 1.386,471 15,472 0.682,473 15.5,474 0.705,475 14.977,476 0.681,477 23.267,478 0.597,479 20.243,480 0.92,481 6.071,482 0.276,483 4.739,484 0.215,485 0.039,487 0.329,493 1.023,494 1.387,495 0.776,496 1.06,497 1.076,498 0.901,499 1.316,500 1.15,501 0.918,502 0.947,503 0.888,504 0.894,505 1.044,506 1.056,507 0.984,508 0.959,509 0.972,510 0.968,511 0.899,512 1.132,513 0.912,514 0.932,515 0.965,516 0.908,517 0.904,518 0.906,519 0.979,520 0.875,521 0.854,522 0.912,523 0.995,524 1.046,525 1.174,526 1.119,527 1.008,528 1.153,529 0.819,530 1.065,531 1.108,532 1.268,533 0.841,534 1.247,535 0.827,536 0.948,537 1.029,538 1.126,539 0.886,540 1.123,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 12065,553 2.205,554 43.6,556 13,557 1,559 3,564 1.651,565 2.129,566 2.995,567 1.069,568 1,569 1,571 1,573 61.034,574 1.565,575 3.699,576 4.424,577 4.721,578 4.721,579 4.721,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,590 1,591 206.131,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.67,606 1,607 0.405,608 98.781,609 -0.107,610 -0.189,611 0.057,612 -0.043,613 -0.15,614 0.025,615 -0.119,616 -0.046,617 -0.002,618 0.031,619 0.001,620 0.026,621 0.019,622 -0.016,623 -0.029,624 -0.002,625 -0.009,626 -0.029,627 -0.066,628 -0.094,629 0.045,630 0.008,631 -0.041,632 0.041,633 -0.006,634 0.163,635 -0.039,636 0.075,637 0.056,638 0.028,639 -0.122,640 0.006,641 -0.255,642 -0.14,643 -0.19,644 -0.198,645 0.067,646 -0.137,647 -0.148,648 -0.254,649 0.013,650 -0.238,651 0.034,652 -0.107,653 -0.015,654 -0.12,655 0.067,656 -0.085,657 0.971,658 1.934,659 0.955,660 14.38,661 1.004,662 1.133,663 1.772,664 3.14,665 0.668,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.641,678 295.38,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 12.8,693 1,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,722 1,726 1,731 39,733 16,734 1,735 25,737 42,738 16,739 12,740 2,741 4,746 4,747 5,761 12,762 4,777 1,778 1,781 17,782 5,783 3,784 6,790 5,794 0.75,795 1,806 1,807 1,811 1,812 3,815 1,839 1,840 3,848 22,849 1,854 4,856 1,859 1,870 2.6,874 1,877 10.333,878 6.85,879 4.778,880 2.283,881 3.064,882 1.427,883 1.046,884 3.445,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.101,900 3.465,901 7.591,902 15.685,904 13.061,905 2.091,906 46,910 164.795,911 84.711,912 86.378,914 11,917 84.711,918 175.795,919 86.378,921 13.396,922 89.326,923 44.571,924 30.324,925 16.243,926 153.024,928 164.795,929 171.089,930 11,933 167.123,935 11,937 32.326,938 102.865,939 33.571,941 164.795,942 97.378,943 84.711,946 164.795,947 28.283,948 59.553,949 16.786,950 77.468,951 164.795,952 97.378,953 84.711,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.048,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,974 13.552,975 5.592,976 2.569,977 1.878,978 80.592,979 11.526,980 9.427,981 3.243,984 3.261,986 49.683,987 346.885,988 33,999 39.138,1000 44.192,1001 0.296,1002 0.7,1003 0.837,1004 0.893,1005 0.893,1006 0.893,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.156,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.619,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.649,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.978,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.445,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.176,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.411,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.331,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.472,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.481,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.586,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.638,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.732,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.804,1133 4548,1134 7278,1135 17.394,1136 26.051,1137 37.966,1138 37.971,1139 38.154,1140 37.769,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 35.682,1146 5.604,1147 5.305,1148 6.534,1149 5.244,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 5.026,1155 5.832,1156 1.519,1157 1.519,1158 1.526,1159 1.511,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.427,1165 4.12,1166 4.165,1167 4.091,1168 3.983,1169 5.151,1170 4.004,1171 3.876,1172 3.911,1173 3.815,1174 3.797,1175 5.057,1176 3.799,1177 3.73,1178 3.788,1179 3.612,1180 3.511,1181 4.617,1182 3.526,1183 3.292,1184 3.361,1185 3.232,1186 3.097,1187 4.559,1188 3.121,1189 3.111,1190 3.206,1191 2.906,1192 2.941,1193 4.331,1194 2.91,1195 3.03,1196 3.128,1197 2.866,1198 2.814,1199 4.013,1200 2.821,1201 2.941,1202 3.004,1203 2.829,1204 2.756,1205 3.605,1206 2.763,1207 2.687,1208 2.771,1209 2.56,1210 2.454,1211 3.512,1212 2.478,1213 0.184,1214 0.132,1215 0.269,1216 0.166,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.141,1225 0.121,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 3.026,1231 1.946,1232 1.916,1233 2.028,1234 2.083,1235 1.218,1236 2.064,1237 1.787,1238 1.744,1239 1.933,1240 1.957,1241 1.091,1242 1.956,1243 1.597,1244 1.549,1245 1.732,1246 1.803,1247 0.858,1248 1.786,1249 1.458,1250 1.392,1251 1.637,1252 1.681,1253 0.825,1254 1.675,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.632,1260 1.429,1261 1.034,1262 0.974,1263 1.282,1264 1.315,1265 0.253,1266 1.317,1267 0.948,1268 0.88,1269 1.159,1270 1.13,1271 0.229,1272 1.137,1273 0.744,1274 0.664,1275 1.07,1276 1.099,1277 0.183,1278 1.091,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1293 5.881,1295 3.114,1297 5.434,1300 2.236,1305 24.983,1306 61.034,1307 144.256,1308 172.521,1309 184.131,1310 184.131,1311 184.131,1312 24.12,1313 7.182,1314 80.06,1315 80.06,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 152.15,1325 248.53,1326 363.007,1327 11480,1329 14.941,1330 0.679,1331 0.551,1332 14.941,1333 12.12,1334 10.81,1335 0.432,1336 0.294,1337 7.223,1338 10.344,1339 7.115,1340 5.837,1341 10.81,1342 7.349,1343 9.68,1344 0.277,1345 0.152,1346 9.68,1347 5.334,1348 8.347,1349 0.174,1350 0.08,1351 8.347,1352 3.842,1353 7.33,1354 0.111,1355 0.042,1356 7.33,1357 2.74,1358 5.998,1359 0.071,1360 0.021,1361 5.998,1362 1.818,1363 0.348,1364 67.992,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 328.316,1370 132.259,1371 318.833,1372 449.36,1373 302,1374 143,1375 341.904,1376 156.509,1377 345.883,1378 512.15,1379 327,1380 5.125}
{0 CHEMBL1092568,1 1.501,2 9.4,3 2.918,4 8.516,5 117.345,6 6.908,7 0.471,8 4.185,9 4.313,10 3.704,11 3.672,12 5.16,13 3.652,14 4.781,15 4.981,16 4.061,17 4.096,18 5.694,19 4.055,20 4.997,21 5.224,22 4.103,23 4.246,24 5.868,25 4.154,26 5.057,27 5.317,28 4.116,29 4.235,30 5.922,31 4.146,32 4.989,33 5.214,34 4.178,35 4.258,36 5.904,37 4.195,38 5.087,39 5.307,40 4.207,41 4.353,42 6.013,43 4.271,44 5.145,45 5.373,46 4.122,47 4.379,48 5.982,49 4.258,50 5.222,51 5.498,52 3.986,53 4.317,54 5.969,55 4.167,56 0.037,57 0.907,58 13.692,59 5.24,60 7.046,61 7.48,62 0.345,63 1.495,64 26.939,65 8.433,66 24.265,67 12.537,68 0.375,69 1.772,70 33.522,71 11.484,72 30.4,73 17.123,74 0.386,75 1.834,76 36.351,77 11.337,78 38.672,79 17.666,80 0.348,81 1.818,82 33.218,83 10.138,84 34.002,85 15.879,86 0.572,87 1.99,88 36.791,89 11.389,90 45.727,91 17.497,92 0.302,93 1.996,94 38.596,95 13.746,96 33.496,97 20.404,98 0.463,99 1.956,100 43.526,101 14.367,102 39.731,103 21.781,104 6,105 48,106 0.244,107 0.572,108 0.778,109 0.822,110 0.822,111 0.822,112 3.442,113 0.956,114 -3.57,115 -3.55,116 -3.38,119 39,121 2,124 1,125 8,142 4,143 3,146 1,147 1,149 1,151 1,152 1,172 7,174 2,175 7,180 1,183 6,186 4,187 4,192 2,195 3,198 3,199 7,204 2,207 3,211 1,212 5,217 1,220 2,223 3,224 9,227 2,232 2,236 1,237 7,245 1,250 9,253 1,255 1,258 2,262 1,263 3,266 1,271 4,275 1416,276 20.886,277 20.886,278 20.886,279 20.886,280 20.886,281 19.083,282 28.56,283 12.399,284 21.475,285 16.791,286 16.791,287 16.791,288 16.791,289 16.791,290 13.884,291 40.401,292 5.876,293 17.756,294 4.382,295 2.367,296 1.098,297 0.826,298 0.826,299 0.826,300 4.153,304 1,305 1,306 624,307 2.646,310 138.98,311 241.744,314 113.617,318 1.293,319 22.089,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 282,332 4.751,333 3.436,334 7.006,335 4.284,336 3.332,337 4.726,338 0.916,339 11.98,340 3.173,341 4.208,342 3.043,343 6.162,344 3.817,345 2.838,346 3.836,347 0.86,348 9.156,349 2.782,350 3.924,351 2.916,352 6.118,353 3.658,354 2.722,355 3.303,356 0.8,357 8.932,358 2.547,359 3.679,360 2.781,361 5.509,362 3.414,363 2.49,364 3.091,365 0.765,366 7.221,367 2.301,368 3.532,369 2.544,370 5.304,371 3.297,372 2.328,373 2.583,374 0.172,375 6.756,376 2.253,377 3.269,378 2.323,379 5.204,380 2.957,381 2.014,382 2.465,384 6.082,385 1.895,386 3.091,387 2.092,388 4.777,389 2.717,390 1.786,391 2.21,393 5.04,394 1.659,395 2.807,396 1.799,397 4.358,398 2.42,399 1.501,400 1.937,402 3.916,403 1.372,404 2.692,405 1.472,406 4.221,407 2.341,408 1.372,409 1.731,411 3.627,412 1.327,413 2.546,414 1.35,415 3.543,416 2.104,417 1.161,418 1.566,420 2.666,421 1.089,422 2.222,423 1.256,424 3.486,425 2.043,426 1.069,427 1.209,428 2.536,429 1.039,430 2.107,431 1.126,432 3.41,433 1.952,434 1,435 1.067,436 2.349,437 0.946,438 2,439 1.058,440 3.247,441 1.839,442 0.928,443 1,445 2.136,446 0.84,447 1.618,448 0.934,449 3,450 1.591,451 0.618,452 0.618,454 1.372,455 0.6,456 1.583,457 0.744,458 2.937,459 1.32,460 0.428,461 0.48,463 0.622,464 0.376,465 14.167,466 0.472,467 0.619,468 0.021,469 35.5,470 1.183,471 14.5,472 0.483,473 21,474 0.7,475 28.742,476 0.958,477 33.233,478 0.563,479 27,480 0.9,481 6.838,482 0.228,483 7.886,484 0.263,485 0.059,487 0.332,493 0.94,494 1.593,495 0.844,496 1.24,497 0.904,498 1.061,499 1.35,500 1.03,501 0.988,502 0.846,503 0.932,504 0.856,505 0.815,506 1.158,507 0.971,508 1.081,509 0.602,510 1.054,511 0.808,512 1.047,513 0.842,514 0.895,515 0.856,516 0.866,517 0.995,518 1.156,519 0.966,520 0.943,521 0.894,522 0.929,523 1.005,524 1,525 1.161,526 0.995,527 0.848,528 1.062,529 0.799,530 1.233,531 1.128,532 1.278,533 0.674,534 1.246,535 0.887,536 0.979,537 1.01,538 1.023,539 0.686,540 1.029,541 5,542 0.077,543 2.667,544 2.076,545 1.573,546 1.452,547 0.708,548 0.543,549 0.306,550 0.169,551 11086,552 24123,553 2.186,554 49.2,556 23,557 1,559 1,561 4,564 1.738,565 2.093,566 3.218,567 -0.349,569 1,573 88.543,574 1.501,575 3.516,576 4.785,577 5.056,578 5.056,579 5.056,580 2.536,581 4.64,582 4.875,583 3.38,584 1470.4,585 8.563,586 19806,588 1,590 1,591 347.076,592 1.231,593 4.859,594 0.147,595 0.004,596 0.056,597 0.043,598 0.032,599 0.027,600 0.013,601 0.012,602 0.008,603 0.005,604 0.347,605 0.33,606 0.88,607 0.588,608 150.472,609 -0.024,610 -0.335,611 0.084,612 -0.114,613 -0.044,614 -0.021,615 -0.157,616 0.127,617 0.006,618 0.148,619 -0.049,620 0.105,621 0.056,622 -0.081,623 -0.011,624 -0.067,625 0.079,626 -0.058,627 0.037,628 -0.005,629 0.135,630 0.068,631 0.034,632 0.107,633 -0.076,634 -0.018,635 0.007,636 0.036,637 -0.048,638 0.038,639 -0.035,640 0.161,641 -0.186,642 -0.023,643 -0.033,644 -0.105,645 -0.029,646 -0.169,647 -0.185,648 -0.245,649 -0.039,650 -0.234,651 -0.024,652 -0.03,653 -0.036,654 -0.045,655 -0.001,656 -0.04,657 1.488,658 3.574,659 0.867,660 28.013,661 0.996,662 1.134,663 2.342,664 5.486,665 0.645,666 3.555,667 3.892,668 4.22,669 4.554,670 4.812,671 4.984,672 5.242,673 5.425,674 5.572,675 5.663,676 5.971,677 0.608,678 407.57,679 3.555,680 5.106,681 5.979,682 6.876,683 7.772,684 8.681,685 9.589,686 10.505,687 11.421,688 12.342,689 8.5,692 1,695 1,697 1,699 2,703 2,704 5,705 2,709 5,710 1,711 16,726 1,731 59,733 16,734 1,735 34,737 63,738 23,739 12,740 2,741 4,746 5,747 6,752 1,755 2,758 2,761 12,762 11,778 1,781 29,782 6,783 1,784 7,790 5,794 0.8,795 2,796 1,806 1,807 1,808 1,811 2,812 3,815 1,836 1,838 1,839 1,840 4,844 1,848 30,853 1,854 10,856 1,859 2,870 3.4,871 1,874 1,877 14.333,878 10.783,879 6.583,880 3.722,881 3.011,882 1.376,883 0.99,884 5.635,885 11.011,886 3.761,887 4.366,888 5.013,889 5.675,890 6.256,891 6.695,892 7.238,893 7.698,894 8.066,895 8.409,896 0.714,897 48,898 11.144,900 4.763,901 7.506,902 22.049,904 18.714,905 2.006,906 60.167,909 1,910 329.591,911 98.632,912 41.719,914 53.683,917 98.632,918 383.274,919 41.719,920 8.396,921 24.782,922 89.636,923 44.571,924 22.177,925 16.243,926 317.82,928 329.591,929 140.351,930 53.683,933 284.834,934 47.084,935 53.683,937 31.95,938 72.502,939 33.571,941 329.591,942 95.402,943 98.632,946 329.591,947 43.283,948 63.497,950 87.254,951 329.591,952 95.402,953 98.632,955 0.577,956 0.345,957 0.198,958 0.109,959 25,960 10,961 0.079,962 5,963 1,964 1.077,965 4.083,966 289.648,967 0.077,968 26,969 139.207,974 19.799,975 8.539,976 3.951,977 2.124,978 93.503,979 10.098,980 10.06,984 4.755,985 2.18,986 42.683,987 523.625,988 42,999 58.767,1000 66.893,1001 0.255,1002 0.598,1003 0.813,1004 0.86,1005 0.86,1006 0.86,1007 5.017,1008 1.501,1009 5.958,1010 5.04,1011 4.575,1012 5.053,1013 1.81,1014 6.799,1015 4.47,1016 6.207,1017 1.372,1018 7.526,1019 3.916,1020 4.111,1021 4.902,1022 0.57,1023 7.738,1024 3.964,1025 7.518,1026 1.161,1027 9.196,1028 3.627,1029 6.184,1030 7.288,1031 1.434,1032 10.898,1033 5.986,1034 8.871,1035 1.069,1036 10.929,1037 2.666,1038 6.594,1039 8.05,1040 0.581,1041 12.723,1042 6.355,1043 10.264,1044 1,1045 12.705,1046 2.536,1047 8.098,1048 9.907,1049 1.158,1050 15.4,1051 7.812,1052 11.685,1053 0.928,1054 14.51,1055 2.349,1056 8.916,1057 11.094,1058 0.515,1059 17.601,1060 8.588,1061 13.129,1062 0.618,1063 16.338,1064 2.136,1065 10.201,1066 12.75,1067 0.936,1068 20.127,1069 9.826,1070 3.332,1071 0.428,1072 18.184,1073 1.372,1074 11.212,1075 14.135,1076 0.441,1077 22.488,1078 10.793,1079 2.838,1080 11.98,1081 20.044,1082 0.622,1083 12.417,1084 15.716,1085 0.756,1086 24.972,1087 11.952,1088 2.722,1089 9.156,1090 21.915,1091 4.726,1092 13.52,1093 17.19,1094 0.373,1095 27.4,1096 13.008,1097 2.49,1098 8.932,1099 23.797,1100 3.836,1101 14.702,1102 18.746,1103 0.609,1104 29.875,1105 14.143,1106 2.328,1107 7.221,1108 25.688,1109 3.303,1110 15.849,1111 20.261,1112 0.314,1113 32.332,1114 15.242,1115 2.014,1116 6.756,1117 27.586,1118 3.091,1119 17.029,1120 21.809,1121 0.49,1122 34.808,1123 16.373,1124 1.786,1125 6.082,1126 29.491,1127 2.583,1128 18.198,1129 23.343,1130 0.264,1131 37.278,1132 17.493,1133 10338,1134 15387,1135 23.463,1136 38.074,1137 51.001,1138 51.797,1139 51.857,1140 51.189,1141 51.172,1142 63.646,1143 7.027,1144 148.786,1145 48.397,1146 5.751,1147 5.436,1148 6.808,1149 5.388,1150 5.332,1151 7.726,1152 1.776,1153 19.427,1154 5.173,1155 10.058,1156 1.5,1157 1.523,1158 1.525,1159 1.506,1160 1.505,1161 1.872,1162 0.207,1163 4.376,1164 1.423,1165 4.156,1166 4.199,1167 4.13,1168 4.024,1169 6.457,1170 4.045,1171 3.902,1172 3.933,1173 3.84,1174 3.835,1175 5.071,1176 3.833,1177 3.821,1178 3.889,1179 3.695,1180 3.654,1181 4.68,1182 3.653,1183 3.734,1184 3.792,1185 3.614,1186 3.518,1187 4.613,1188 3.533,1189 3.38,1190 3.442,1191 3.303,1192 3.186,1193 4.403,1194 3.206,1195 3.205,1196 3.291,1197 3.058,1198 3.016,1199 4.282,1200 3.014,1201 3.192,1202 3.246,1203 3.025,1204 2.972,1205 4.02,1206 2.973,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.725,1212 2.91,1213 0.14,1214 0.101,1215 0.206,1216 0.126,1217 0.098,1218 4.751,1219 0.139,1220 3.436,1221 0.027,1222 7.006,1223 0.352,1224 4.284,1225 0.093,1226 3.332,1227 4.726,1228 0.916,1229 11.98,1230 3.173,1231 1.961,1232 1.934,1233 2.046,1234 2.091,1235 1.229,1236 2.073,1237 1.809,1238 1.771,1239 1.943,1240 1.966,1241 1.211,1242 1.967,1243 1.68,1244 1.625,1245 1.86,1246 1.869,1247 1.158,1248 1.868,1249 1.593,1250 1.532,1251 1.848,1252 1.836,1253 1.127,1254 1.827,1255 1.577,1256 1.507,1257 1.788,1258 1.751,1259 0.937,1260 1.793,1261 1.39,1262 1.309,1263 1.614,1264 1.635,1265 0.825,1266 1.633,1267 1.199,1268 1.151,1269 1.513,1270 1.448,1271 0.824,1272 1.45,1273 1.153,1274 1.064,1275 1.463,1276 1.376,1277 0.603,1278 1.429,1279 4.234,1281 5.565,1282 3.045,1283 7.093,1284 5.352,1285 8.714,1286 7.413,1287 10.39,1289 2.092,1294 9.574,1295 8.884,1297 5.576,1300 4.823,1305 35.858,1306 88.543,1307 207.424,1308 282.321,1309 298.321,1310 298.321,1311 298.321,1312 40.177,1313 7.999,1314 66.65,1315 66.65,1316 28,1317 12.851,1318 4.087,1319 3.17,1320 41.12,1321 107,1322 112,1323 0.19,1324 215.9,1325 366.06,1326 518.555,1327 30430,1329 20.501,1330 0.683,1331 0.585,1332 20.501,1333 17.549,1334 14.725,1335 0.433,1336 0.319,1337 10.657,1338 14.079,1339 10.422,1340 8.56,1341 14.725,1342 10.839,1343 13.095,1344 0.273,1345 0.172,1346 13.095,1347 8.274,1348 11.509,1349 0.172,1350 0.092,1351 11.509,1352 6.143,1353 10.118,1354 0.108,1355 0.049,1356 10.118,1357 4.582,1358 8.206,1359 0.067,1360 0.024,1361 8.206,1362 2.963,1363 0.288,1364 92.718,1365 0.206,1366 27.657,1367 0.559,1368 164,1369 422.111,1370 179.114,1371 403.797,1372 565.89,1373 384,1374 197,1375 420.532,1376 214.836,1377 427.663,1378 637.7,1379 402,1380 5.376}
{0 CHEMBL1092569,1 1.54,2 8.821,3 2.67,4 7.131,5 106.664,6 7.161,7 0.5,8 4.093,9 4.219,10 3.637,11 3.591,12 5.105,13 3.58,14 4.671,15 4.853,16 4.002,17 4.022,18 5.634,19 3.984,20 4.946,21 5.179,22 4.054,23 4.171,24 5.838,25 4.088,26 4.947,27 5.196,28 4.033,29 4.149,30 5.829,31 4.065,32 4.917,33 5.154,34 4.071,35 4.148,36 5.87,37 4.08,38 4.915,39 5.136,40 4.062,41 4.178,42 5.837,43 4.106,44 4.92,45 5.135,46 3.996,47 4.175,48 5.826,49 4.081,50 4.971,51 5.206,52 3.882,53 4.171,54 5.82,55 4.037,56 0.038,57 0.828,58 11.87,59 4.635,60 8.207,61 6.419,62 0.238,63 1.363,64 22.957,65 7.91,66 22.595,67 11.254,68 0.409,69 1.654,70 31.884,71 10.701,72 36.889,73 15.72,74 0.286,75 1.677,76 31.937,77 10.046,78 33.828,79 15.537,80 0.444,81 1.653,82 30.907,83 9.324,84 46.151,85 14.499,86 0.38,87 1.68,88 30.2,89 9.542,90 31.793,91 14.364,92 0.335,93 1.618,94 30.294,95 10.489,96 32.226,97 15.293,98 0.303,99 1.595,100 32.448,101 12.226,102 34.609,103 17.41,104 2,105 45,106 0.256,107 0.622,108 0.776,109 0.826,110 0.826,111 0.826,112 3.376,113 0.939,114 -3.41,115 -3.39,116 -3.24,119 39.6,121 2,122 1,125 6,142 4,143 2,144 1,146 1,147 1,149 1,151 1,152 1,172 7,174 2,175 3,180 5,183 7,186 1,187 5,190 3,192 4,195 2,198 1,199 7,204 4,207 1,211 1,212 6,215 2,217 1,220 3,224 5,227 2,228 1,229 2,232 5,236 1,237 3,240 1,242 2,245 6,250 3,253 2,254 1,255 3,258 3,263 3,268 4,271 2,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.782,282 23.787,283 11.727,284 20.1,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 13.074,291 30.3,292 5.627,293 16.723,294 4.188,295 1.983,296 1.057,297 0.755,298 0.755,299 0.755,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 24.175,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 247,332 4.694,333 3.402,334 6.903,335 4.249,336 3.288,337 4.638,338 0.86,339 11.617,340 3.166,341 4.19,342 3.078,343 6.328,344 3.829,345 2.854,346 3.81,347 0.8,348 9.591,349 2.781,350 3.983,351 2.877,352 6.124,353 3.716,354 2.76,355 3.353,356 0.4,357 9.006,358 2.638,359 3.603,360 2.562,361 5.574,362 3.294,363 2.344,364 2.996,366 7.156,367 2.218,368 3.436,369 2.373,370 5.05,371 3.15,372 2.2,373 2.523,375 6.076,376 2.082,377 3.012,378 2.217,379 4.792,380 2.775,381 1.843,382 2.14,384 4.963,385 1.716,386 2.936,387 1.898,388 4.327,389 2.434,390 1.513,391 2.065,393 4.043,394 1.395,395 2.696,396 1.532,397 4.161,398 2.408,399 1.468,400 1.765,402 3.569,403 1.369,404 2.621,405 1.473,406 3.753,407 2.162,408 1.225,409 1.658,411 2.916,412 1.149,413 2.442,414 1.256,415 3.5,416 2.064,417 1.133,418 1.426,420 2.602,421 1.041,422 2.242,423 1.183,424 3.474,425 1.984,426 1,427 1.222,428 2.488,429 0.983,430 2,431 1.077,432 3.399,433 1.958,434 1,435 1,436 2.136,437 0.955,438 2,439 1.026,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.947,448 0.734,449 3.247,450 1.557,451 0.634,452 0.81,454 1.753,455 0.584,456 1.038,457 -0.057,458 2.756,459 0.625,460 -0.317,461 -0.396,463 -0.808,464 -0.296,465 13.167,466 0.47,467 0.551,468 0.02,469 34.5,470 1.232,471 15,472 0.536,473 19.5,474 0.696,475 25.105,476 0.897,477 30.633,478 0.578,479 24.847,480 0.887,481 6.513,482 0.233,483 7.28,484 0.26,485 0.025,487 0.334,493 0.984,494 1.427,495 0.826,496 1.124,497 0.908,498 0.975,499 1.129,500 1.144,501 0.967,502 1.005,503 0.722,504 0.965,505 0.898,506 1.034,507 0.928,508 0.966,509 0.817,510 0.958,511 0.799,512 1.135,513 0.894,514 0.967,515 0.789,516 0.934,517 0.85,518 1.035,519 0.931,520 0.873,521 0.763,522 0.889,523 0.959,524 1.027,525 1.096,526 1.009,527 0.802,528 1.041,529 0.918,530 1.116,531 1.133,532 1.177,533 0.822,534 1.177,535 0.736,536 1.039,537 1.093,538 1.262,539 0.809,540 1.24,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 21486,553 2.223,554 47.2,555 1,556 16,557 1,559 3,561 4,564 1.72,565 2.154,566 3.136,567 0.917,568 1,569 1,573 81.635,574 1.54,575 3.745,576 4.671,577 4.973,578 4.973,579 4.973,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,590 1,591 303.58,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.5,606 0.88,607 0.343,608 136.928,609 -0.082,610 -0.188,611 0.062,612 -0.029,613 -0.051,614 0.028,615 -0.098,616 0.003,617 -0.025,618 0.015,619 0.03,620 0.005,621 0.028,622 -0.003,623 0.036,624 0.03,625 0.034,626 0.026,627 -0.028,628 -0.089,629 0.064,630 0.002,631 -0.005,632 0.042,633 0.031,634 0.053,635 0.034,636 0.083,637 0.063,638 0.067,639 -0.08,640 0.103,641 -0.147,642 -0.042,643 -0.09,644 -0.087,645 -0.035,646 -0.043,647 -0.192,648 -0.166,649 -0.056,650 -0.191,651 0.051,652 -0.055,653 -0.154,654 -0.225,655 0.033,656 -0.219,657 1.443,658 3.929,659 0.964,660 24,661 1,662 1.133,663 2.177,664 4.737,665 0.652,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.619,678 379.51,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 9.4,691 1,695 1,697 1,699 2,703 2,704 5,705 2,706 1,709 5,711 16,726 1,728 1,731 53,733 16,734 1,735 32,737 57,738 21,739 12,740 2,741 4,746 5,747 6,755 2,756 1,758 2,761 12,762 9,763 1,777 1,778 1,781 25,782 6,783 3,784 7,790 5,794 0.8,795 2,806 1,807 1,811 1,812 4,815 1,835 1,839 1,840 4,848 28,853 1,854 8,855 1,856 1,858 1,859 1,870 3.8,872 1,874 1,877 13,878 9.217,879 6.083,880 3.368,881 2.982,882 1.377,883 1.006,884 4.93,885 10.893,886 3.714,887 4.314,888 4.96,889 5.616,890 6.203,891 6.647,892 7.174,893 7.646,894 7.985,895 8.342,896 0.833,897 46,898 10.395,900 4.518,901 7.554,902 20.425,904 17.541,905 2.054,906 57.5,909 1,910 258.964,911 84.944,912 71.492,914 53.683,917 84.944,918 312.647,919 71.492,921 22.677,922 64.963,923 87.254,924 30.753,925 16.243,926 247.193,928 258.964,929 156.436,930 53.683,933 214.208,934 89.768,935 11,937 59.617,938 60.92,939 33.571,941 258.964,942 125.175,943 84.944,946 258.964,947 37.992,948 50.077,949 34.796,950 87.254,951 258.964,952 125.175,953 84.944,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.053,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 126.606,974 17.922,975 7.703,976 3.513,977 2.001,978 108.389,979 9.284,980 9.844,981 3.464,984 3.9,986 77.48,987 469.083,988 40,999 53,1000 60.062,1001 0.269,1002 0.654,1003 0.816,1004 0.868,1005 0.868,1006 0.868,1007 4.963,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.001,1013 1.324,1014 6.725,1015 4.415,1016 6.146,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.796,1022 0.325,1023 7.662,1024 3.886,1025 7.452,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.224,1031 0.958,1032 10.826,1033 5.94,1034 8.799,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 7.946,1040 0.268,1041 12.643,1042 6.301,1043 10.187,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 9.821,1049 0.736,1050 15.31,1051 7.786,1052 11.603,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.972,1058 0.188,1059 17.479,1060 8.558,1061 13.042,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.629,1067 0.57,1068 19.984,1069 9.815,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 13.981,1076 0.125,1077 22.301,1078 10.779,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.553,1085 0.439,1086 24.754,1087 11.947,1088 2.76,1089 9.591,1090 21.845,1091 4.638,1092 13.406,1093 16.999,1094 0.082,1095 27.137,1096 12.999,1097 2.344,1098 9.006,1099 23.72,1100 3.81,1101 14.581,1102 18.539,1103 0.334,1104 29.577,1105 14.137,1106 2.2,1107 7.156,1108 25.601,1109 3.353,1110 15.712,1111 20.029,1112 0.054,1113 31.991,1114 15.232,1115 1.843,1116 6.076,1117 27.488,1118 2.996,1119 16.881,1120 21.56,1121 0.252,1122 34.43,1123 16.363,1124 1.513,1125 4.963,1126 29.38,1127 2.523,1128 18.034,1129 23.071,1130 0.035,1131 36.861,1132 17.479,1133 8616,1134 13211,1135 22.364,1136 34.552,1137 48.6,1138 48.777,1139 49.005,1140 48.552,1141 48.523,1142 60.813,1143 4.12,1144 140.1,1145 46.044,1146 5.694,1147 5.402,1148 6.705,1149 5.352,1150 5.288,1151 7.638,1152 1.72,1153 19.164,1154 5.166,1155 6.891,1156 1.519,1157 1.524,1158 1.531,1159 1.517,1160 1.516,1161 1.9,1162 0.129,1163 4.378,1164 1.439,1165 4.148,1166 4.191,1167 4.119,1168 4.022,1169 6.471,1170 4.041,1171 3.882,1172 3.912,1173 3.822,1174 3.81,1175 5.092,1176 3.809,1177 3.789,1178 3.85,1179 3.673,1180 3.62,1181 4.632,1182 3.625,1183 3.705,1184 3.767,1185 3.578,1186 3.492,1187 4.615,1188 3.505,1189 3.283,1190 3.345,1191 3.223,1192 3.087,1193 4.404,1194 3.112,1195 3.111,1196 3.206,1197 2.928,1198 2.941,1199 4.303,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.006,1206 2.91,1207 3.03,1208 3.114,1209 2.866,1210 2.819,1211 3.624,1212 2.833,1213 0.147,1214 0.106,1215 0.216,1216 0.133,1217 0.103,1218 4.694,1219 0.145,1220 3.402,1221 0.027,1222 6.903,1223 0.363,1224 4.249,1225 0.099,1226 3.288,1227 4.638,1228 0.86,1229 11.617,1230 3.166,1231 1.951,1232 1.922,1233 2.062,1234 2.088,1235 1.419,1236 2.073,1237 1.852,1238 1.811,1239 2.007,1240 2.006,1241 1.216,1242 2.016,1243 1.768,1244 1.718,1245 1.929,1246 1.947,1247 1.08,1248 1.946,1249 1.575,1250 1.525,1251 1.71,1252 1.794,1253 0.862,1254 1.776,1255 1.409,1256 1.341,1257 1.586,1258 1.636,1259 0.825,1260 1.626,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.702,1272 1.429,1273 1.015,1274 0.966,1275 1.243,1276 1.256,1277 0.374,1278 1.257,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.929,1295 7.344,1296 3.438,1297 5.529,1299 0.5,1300 2.266,1305 32.805,1306 81.635,1307 198.483,1308 247.58,1309 263.58,1310 263.58,1311 263.58,1312 38.274,1313 7.911,1314 86.3,1315 86.3,1316 29,1317 12.772,1318 4.087,1319 3.17,1320 37.229,1321 95,1322 93,1323 0.195,1324 196.715,1325 331.46,1326 471.744,1327 27442,1329 18.924,1330 0.676,1331 0.565,1332 18.924,1333 15.818,1334 13.793,1335 0.431,1336 0.313,1337 9.858,1338 13.221,1339 9.724,1340 7.946,1341 13.793,1342 10.012,1343 12.292,1344 0.273,1345 0.167,1346 12.292,1347 7.512,1348 10.787,1349 0.171,1350 0.091,1351 10.787,1352 5.729,1353 9.528,1354 0.108,1355 0.048,1356 9.528,1357 4.231,1358 8.076,1359 0.068,1360 0.025,1361 8.076,1362 2.997,1363 0.294,1364 86.68,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 401.486,1370 168.724,1371 386.105,1372 541.89,1373 366,1374 185,1375 408.216,1376 201.003,1377 411.29,1378 612.55,1379 390,1380 6.451}
{0 CHEMBL1092768,1 1.603,2 9.464,3 2.127,4 4.525,5 106.022,6 8.03,7 0.5,8 3.997,9 4.091,10 3.636,11 3.519,12 5.138,13 3.535,14 4.54,15 4.687,16 4.028,17 3.927,18 5.641,19 3.939,20 4.743,21 4.905,22 4.102,23 4.056,24 5.893,25 4.04,26 4.788,27 4.969,28 4.062,29 4.08,30 5.982,31 4.033,32 4.78,33 4.967,34 3.953,35 4.05,36 5.834,37 3.985,38 4.803,39 5.014,40 3.952,41 3.995,42 5.833,43 3.937,44 4.725,45 4.929,46 3.91,47 3.891,48 5.833,49 3.85,50 4.673,51 4.88,52 3.744,53 3.797,54 5.745,55 3.742,56 0.09,57 0.686,58 8.49,59 4.214,60 10.078,61 4.859,62 0.335,63 1.144,64 17.471,65 6.793,66 21.24,67 8.003,68 0.53,69 1.335,70 22.666,71 8.761,72 40.376,73 10.654,74 0.56,75 1.395,76 24.149,77 9.691,78 63.211,79 12.288,80 0.428,81 1.361,82 24.244,83 9.774,84 42.491,85 12.376,86 0.549,87 1.401,88 26.143,89 9.267,90 43.716,91 12.262,92 0.579,93 1.257,94 24.496,95 8.554,96 45.066,97 11.09,98 0.536,99 1.123,100 24.343,101 8.648,102 53.979,103 10.797,104 10,105 47,106 0.27,107 0.672,108 0.812,109 0.841,110 0.848,111 0.848,112 3.376,113 0.859,114 -2.95,115 -2.96,116 -2.85,119 44.7,124 1,125 4,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,161 1,172 4,174 1,175 10,180 2,183 5,186 2,187 6,192 1,195 3,198 2,199 8,202 2,204 1,207 3,211 1,212 4,217 1,220 4,223 3,224 3,229 1,232 3,236 4,237 5,242 1,245 3,250 4,253 1,258 1,262 1,263 4,266 2,268 1,271 2,275 1168,276 19.206,277 19.206,278 19.206,279 19.206,280 19.206,281 16.996,282 22.365,283 11.143,284 19.746,285 15.805,286 15.805,287 15.805,288 15.805,289 15.805,290 12.335,291 28.445,292 5.272,293 16.67,294 3.951,295 1.568,296 0.739,297 0.569,298 0.527,299 0.527,300 4.086,303 1,304 1,305 1,306 593,307 2.55,310 103.049,311 209.299,314 200.966,318 1.393,319 31.519,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61.5,331 265,332 4.738,333 3.756,334 6.999,335 4.289,336 3.319,337 4.707,338 0.86,339 11.953,340 3.223,341 4.567,342 3.378,343 6.862,344 4.196,345 3.221,346 4.204,347 0.86,348 11.345,349 3.138,350 3.897,351 2.917,352 6.064,353 3.601,354 2.674,355 3.269,356 0.8,357 8.683,358 2.482,359 3.827,360 2.817,361 5.735,362 3.36,363 2.397,364 3.246,366 7.613,367 2.3,368 3.385,369 2.571,370 5.373,371 2.976,372 2.025,373 2.701,375 6.31,376 1.932,377 3.279,378 2.322,379 5.074,380 2.874,381 1.931,382 2.523,384 5.752,385 1.806,386 3.161,387 2.151,388 4.86,389 2.854,390 1.898,391 2.268,393 5.203,394 1.79,395 2.926,396 1.848,397 4.404,398 2.414,399 1.463,400 2.054,402 3.902,403 1.396,404 2.698,405 1.752,406 4.23,407 2.331,408 1.42,409 1.774,411 3.604,412 1.279,413 2.626,414 1.342,415 3.716,416 2.17,417 1.195,418 1.643,420 2.844,421 1.161,422 2.496,423 1.256,424 3.565,425 2.011,426 1.039,427 1.392,428 2.491,429 0.993,430 2.154,431 1.242,432 3.5,433 1.952,434 1,435 1.102,436 2.331,437 0.946,438 2,439 1.126,440 3.247,441 1.842,442 0.93,443 1,445 2.136,446 0.842,447 1.4,448 0.657,449 3.003,450 0.948,451 -0.014,452 -0.018,454 -0.039,455 -0.013,456 1.08,457 0.078,458 2.533,459 0.667,460 -0.284,461 -0.36,463 -0.648,464 -0.264,465 13.033,466 0.465,467 0.713,468 0.025,469 38,470 1.357,471 18.5,472 0.661,473 19.5,474 0.696,475 21.7,476 0.775,477 29.567,478 0.629,479 29.501,480 1.054,481 7.628,482 0.272,483 6.004,484 0.214,485 0.09,487 0.407,493 0.852,494 1.363,495 0.7,496 1.089,497 0.716,498 0.903,499 1.107,500 0.959,501 0.826,502 0.817,503 0.664,504 0.752,505 1.016,506 1.056,507 0.923,508 0.951,509 0.839,510 0.918,511 0.718,512 0.995,513 0.923,514 1.047,515 0.743,516 1.029,517 0.883,518 1.139,519 1.044,520 1.14,521 0.955,522 1.134,523 0.84,524 1.037,525 0.987,526 1.014,527 0.851,528 1.018,529 0.944,530 0.983,531 0.948,532 0.981,533 0.73,534 0.963,535 1.238,536 0.987,537 1.029,538 0.981,539 1.344,540 0.976,541 4.5,542 0.081,543 3.333,544 3.271,545 1.343,546 1.053,547 0.595,548 0.507,549 0.394,550 0.199,551 9524,552 26199,553 2.177,554 40.4,556 16,557 1,558 1,559 1,564 1.716,565 2.049,566 3.237,567 -0.323,568 1,569 1,573 75.361,574 1.603,575 3.986,576 4.815,577 4.985,578 5.028,579 5.028,580 2.673,581 4.522,582 4.782,583 3.384,584 1279.33,585 8.342,586 16200.2,588 1,590 1,591 261.066,592 1.375,593 4.745,594 0.141,595 0.005,596 0.071,597 0.067,598 0.029,599 0.026,600 0.015,601 0.013,602 0.012,603 0.008,604 0.386,605 0.5,606 0.88,607 0.517,608 137.617,609 -0.073,610 -0.242,611 0.06,612 -0.085,613 -0.075,614 -0.005,615 -0.155,616 0.151,617 0.047,618 0.138,619 -0.024,620 0.146,621 -0.03,622 -0.018,623 -0.008,624 0.023,625 0.033,626 0.016,627 0.125,628 0.022,629 -0.003,630 -0.059,631 0.201,632 -0.057,633 -0.059,634 -0.15,635 -0.117,636 -0.142,637 -0.08,638 -0.146,639 0.019,640 -0.016,641 -0.014,642 -0.058,643 -0.039,644 -0.044,645 0.058,646 0.015,647 0.048,648 -0.025,649 0.092,650 0.003,651 -0.113,652 -0.075,653 0.005,654 0.006,655 -0.119,656 0.021,657 1.984,658 5.749,659 0.857,660 21.837,661 1.015,662 1.12,663 1.722,664 2.967,665 0.679,666 3.497,667 3.871,668 4.234,669 4.585,670 4.812,671 4.913,672 5.112,673 5.283,674 5.38,675 5.481,676 5.837,677 0.663,678 377.43,679 3.497,680 5.069,681 5.964,682 6.88,683 7.792,684 8.715,685 9.633,686 10.559,687 11.481,688 12.408,689 6.4,695 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 47,733 18,734 1,735 32,737 51,738 21,739 13,740 3,741 3,742 3,746 5,747 7,761 16,762 5,766 2,771 1,773 1,775 2,777 1,778 1,781 19,782 6,783 1,784 7,790 3,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,831 2,839 1,840 3,844 1,848 28,853 1,854 4,856 2,859 1,870 8.5,872 1,873 1,874 1,875 1,877 13.667,878 8.883,879 6,880 2.796,881 4.021,882 1.491,883 1.009,884 4.199,885 12.207,886 3.761,887 4.416,888 5.096,889 5.755,890 6.297,891 6.676,892 7.146,893 7.603,894 7.929,895 8.348,896 1,897 49,898 10.393,900 4.616,901 7.786,902 19.741,904 16.735,905 2.286,906 64,910 211.88,911 116.305,912 21.809,914 89.828,917 116.305,918 301.708,919 21.809,920 8.396,921 13.396,922 56.429,923 119.477,924 42.015,925 11.771,926 188.338,928 211.88,929 138.114,930 89.828,933 211.88,934 78.828,935 11,937 26.058,938 80.551,939 31.505,941 211.88,942 111.637,943 116.305,946 211.88,947 42.433,948 78.896,950 106.614,951 211.88,952 111.637,953 116.305,955 0.591,956 0.365,957 0.214,958 0.115,959 26,960 11,961 0.039,962 2,963 2,964 1.167,965 3.898,966 266.902,967 0.167,968 24,969 130.606,974 17.437,975 6.743,976 2.85,977 1.803,978 109.738,979 10.554,980 4.514,984 2.428,985 1.94,986 42.683,987 439.822,988 42,993 12.749,995 1.732,997 -0.123,999 47.683,1000 52.654,1001 0.289,1002 0.718,1003 0.867,1004 0.898,1005 0.905,1006 0.905,1007 5.03,1008 1.463,1009 5.969,1010 5.203,1011 4.554,1012 5.103,1013 1.593,1014 6.858,1015 4.46,1016 6.26,1017 1.42,1018 7.572,1019 3.902,1020 4.205,1021 5.027,1022 0.325,1023 7.897,1024 4.088,1025 7.596,1026 1.195,1027 9.279,1028 3.604,1029 6.213,1030 7.388,1031 1.294,1032 11.075,1033 6.05,1034 8.974,1035 1.039,1036 11.049,1037 2.844,1038 6.723,1039 8.191,1040 0.268,1041 12.981,1042 6.546,1043 10.39,1044 1,1045 12.859,1046 2.491,1047 8.203,1048 10.032,1049 1.061,1050 15.676,1051 7.988,1052 11.833,1053 0.93,1054 14.696,1055 2.331,1056 9.101,1057 11.238,1058 0.188,1059 17.922,1060 8.871,1061 13.297,1062 -0.014,1063 16.555,1064 2.136,1065 10.385,1066 12.881,1067 0.861,1068 20.459,1069 10.124,1070 3.319,1071 -0.284,1072 18.428,1073 -0.039,1074 11.45,1075 14.269,1076 0.125,1077 22.838,1078 11.17,1079 3.221,1080 11.953,1081 20.314,1082 -0.648,1083 12.664,1084 15.838,1085 0.69,1086 25.323,1087 12.356,1088 2.674,1089 11.345,1090 22.209,1091 4.707,1092 13.799,1093 17.305,1094 0.082,1095 27.753,1096 13.468,1097 2.397,1098 8.683,1099 24.111,1100 4.204,1101 14.99,1102 18.848,1103 0.544,1104 30.222,1105 14.633,1106 2.025,1107 7.613,1108 26.02,1109 3.269,1110 16.154,1111 20.351,1112 0.054,1113 32.672,1114 15.772,1115 1.931,1116 6.31,1117 27.933,1118 3.246,1119 17.339,1120 21.887,1121 0.424,1122 35.137,1123 16.932,1124 1.898,1125 5.752,1126 29.851,1127 2.701,1128 18.516,1129 23.407,1130 0.035,1131 37.596,1132 18.082,1133 8805,1134 14751,1135 21.789,1136 31.926,1137 49.56,1138 51.009,1139 51.011,1140 49.041,1141 49.023,1142 63.766,1143 5.04,1144 148.331,1145 46.575,1146 5.738,1147 5.756,1148 6.801,1149 5.392,1150 5.319,1151 7.707,1152 1.72,1153 19.35,1154 5.223,1155 11.506,1156 1.549,1157 1.594,1158 1.594,1159 1.533,1160 1.532,1161 1.993,1162 0.158,1163 4.635,1164 1.455,1165 4.153,1166 4.188,1167 4.126,1168 4.042,1169 7.428,1170 4.059,1171 3.969,1172 3.974,1173 3.941,1174 3.873,1175 6.468,1176 3.886,1177 3.745,1178 3.804,1179 3.633,1180 3.533,1181 5.026,1182 3.548,1183 3.487,1184 3.516,1185 3.423,1186 3.363,1187 4.799,1188 3.373,1189 3.391,1190 3.448,1191 3.284,1192 3.213,1193 4.616,1194 3.222,1195 3.111,1196 3.206,1197 2.961,1198 2.941,1199 4.386,1200 2.91,1201 3.067,1202 3.12,1203 2.877,1204 2.894,1205 4.248,1206 2.897,1207 2.966,1208 2.984,1209 2.866,1210 2.754,1211 3.98,1212 2.774,1213 0.148,1214 0.117,1215 0.219,1216 0.134,1217 0.104,1218 4.738,1219 0.147,1220 3.756,1221 0.027,1222 6.999,1223 0.374,1224 4.289,1225 0.101,1226 3.319,1227 4.707,1228 0.86,1229 11.953,1230 3.223,1231 1.919,1232 1.89,1233 2.004,1234 2.062,1235 1.247,1236 2.047,1237 1.859,1238 1.846,1239 1.944,1240 1.951,1241 1.055,1242 1.947,1243 1.652,1244 1.614,1245 1.831,1246 1.885,1247 1.021,1248 1.871,1249 1.628,1250 1.57,1251 1.79,1252 1.808,1253 0.885,1254 1.804,1255 1.362,1256 1.321,1257 1.554,1258 1.572,1259 0.825,1260 1.56,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.615,1266 1.429,1267 1.067,1268 1.033,1269 1.232,1270 1.246,1271 0.296,1272 1.246,1273 0.86,1274 0.84,1275 1.071,1276 1.108,1277 0.226,1278 1.09,1279 4.174,1281 5.533,1282 3.045,1283 7.094,1284 5.533,1285 8.747,1286 7.727,1287 10.449,1289 1.929,1294 10.015,1295 2.976,1297 11.21,1300 2.271,1305 31.138,1306 75.361,1307 187.36,1308 226.311,1309 234.311,1310 236.311,1311 236.311,1312 45.426,1313 8.186,1314 80.73,1315 80.73,1316 28,1317 12.912,1318 4.248,1319 3.459,1320 37.457,1321 97,1322 94,1323 0.188,1324 185.264,1325 321.76,1326 443.804,1327 42816,1329 19.25,1330 0.688,1331 0.549,1332 19.25,1333 15.383,1334 13.631,1335 0.426,1336 0.286,1337 8.99,1338 12.969,1339 8.818,1340 7.213,1341 13.631,1342 9.162,1343 12.543,1344 0.267,1345 0.147,1346 12.543,1347 6.914,1348 11.266,1349 0.166,1350 0.076,1351 11.266,1352 5.178,1353 10.221,1354 0.105,1355 0.04,1356 10.221,1357 3.854,1358 8.255,1359 0.068,1360 0.021,1361 8.255,1362 2.608,1363 0.287,1364 86.446,1365 0.214,1366 26.123,1367 0.543,1368 158,1369 486.292,1370 175.566,1371 459.038,1372 635.38,1373 432,1374 194,1375 475.674,1376 213.676,1377 477.1,1378 712.09,1379 450,1380 7.276}
{0 CHEMBL1092781,1 1.567,2 15.385,3 2.628,4 6.904,5 148.372,6 7.83,7 0.5,8 4.327,9 4.428,10 3.936,11 3.868,12 5.475,13 3.868,14 4.865,15 5.022,16 4.324,17 4.285,18 5.967,19 4.274,20 5.119,21 5.294,22 4.433,23 4.451,24 6.256,25 4.412,26 5.218,27 5.409,28 4.404,29 4.476,30 6.402,31 4.417,32 5.209,33 5.414,34 4.292,35 4.432,36 6.305,37 4.356,38 5.144,39 5.364,40 4.251,41 4.377,42 6.178,43 4.294,44 5.053,45 5.266,46 4.237,47 4.294,48 6.148,49 4.237,50 4.98,51 5.158,52 4.23,53 4.245,54 6.223,55 4.206,56 0.097,57 0.966,58 12.572,59 6.04,60 16.666,61 7.248,62 0.379,63 1.627,64 24.638,65 9.678,66 30.098,67 12.149,68 0.574,69 1.969,70 33.832,71 13.453,72 58.127,73 17.109,74 0.714,75 2.078,76 39.219,77 15.244,78 108.381,79 19.493,80 0.746,81 2.03,82 40.354,83 15.159,84 98.634,85 19.418,86 0.602,87 1.948,88 37.762,89 14.383,90 70.076,91 19.377,92 0.489,93 1.776,94 34.261,95 12.872,96 60.98,97 17.027,98 0.599,99 1.635,100 30.708,101 11.698,102 87.284,103 14.59,104 28,105 64,106 0.244,107 0.596,108 0.763,109 0.845,110 0.859,111 0.859,112 3.693,113 0.878,114 -3.43,115 -3.41,116 -3.26,119 44.8,124 1,125 6,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 13,174 2,175 10,180 2,183 16,186 2,187 11,190 1,192 1,195 14,199 13,202 2,204 1,207 11,211 2,212 10,217 1,220 10,223 2,224 12,227 1,229 1,232 7,236 1,237 14,242 1,245 6,250 10,253 2,255 2,258 6,262 4,263 8,266 1,268 4,271 8,275 3224,276 26.662,277 26.662,278 26.662,279 26.662,280 26.662,281 23.699,282 23.365,283 15.414,284 27.185,285 21.648,286 21.648,287 21.648,288 21.648,289 21.648,290 16.99,291 27.993,292 7.181,293 22.488,294 4.499,295 2.237,296 1.164,297 0.638,298 0.549,299 0.549,300 4.407,305 1,306 1335,307 3.606,310 168.701,311 471.31,314 324.967,318 2.414,319 46.727,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 85,331 600,332 4.749,333 3.756,334 7,335 4.298,336 3.32,337 4.726,338 1.2,339 11.953,340 3.252,341 4.569,342 3.695,343 6.862,344 4.2,345 3.221,346 4.204,347 0.86,348 11.345,349 3.155,350 4.27,351 3.31,352 6.395,353 3.962,354 2.982,355 3.834,356 0.8,357 9.684,358 2.923,359 3.993,360 2.861,361 6.062,362 3.64,363 2.669,364 3.411,365 0.293,366 8.674,367 2.592,368 3.832,369 2.818,370 5.735,371 3.421,372 2.48,373 3.258,375 7.613,376 2.328,377 3.58,378 2.701,379 5.422,380 3.359,381 2.397,382 2.784,384 7.084,385 2.298,386 3.399,387 2.57,388 5.362,389 3.025,390 2.078,391 2.691,393 6.357,394 1.962,395 3.33,396 2.261,397 5.128,398 2.951,399 1.988,400 2.523,402 6.047,403 1.919,404 3.279,405 2.16,406 5.074,407 2.874,408 1.915,409 2.498,411 5.751,412 1.805,413 3.052,414 2.044,415 4.829,416 2.684,417 1.723,418 2.177,420 5.041,421 1.65,422 2.924,423 1.778,424 4.404,425 2.412,426 1.436,427 2.053,428 3.902,429 1.395,430 2.682,431 1.69,432 4.187,433 2.2,434 1.229,435 1.762,436 3.345,437 1.189,438 2.583,439 1.546,440 3.716,441 2.146,442 1.173,443 1.554,445 2.741,446 1.133,447 2.5,448 1.342,449 3.693,450 2.037,451 1.077,452 1.5,454 2.395,455 1.023,456 2.466,457 1.225,458 3.559,459 2,460 1,461 1.358,463 2.277,464 1,465 18.267,466 0.468,467 0.99,468 0.025,469 51.75,470 1.327,471 25.5,472 0.654,473 26.25,474 0.673,475 34.063,476 0.873,477 41.133,478 0.614,479 46.32,480 1.188,481 10.448,482 0.268,483 8.492,484 0.218,485 0.1,487 0.394,493 0.826,494 1.32,495 0.74,496 1.044,497 0.71,498 0.905,499 0.909,500 0.947,501 0.84,502 0.836,503 0.637,504 0.803,505 0.873,506 0.992,507 0.902,508 0.979,509 0.763,510 0.945,511 0.943,512 1.026,513 0.982,514 1.043,515 1.009,516 1.023,517 1.09,518 0.96,519 1.066,520 0.975,521 1.188,522 1.015,523 0.734,524 0.991,525 0.902,526 0.982,527 0.77,528 0.978,529 0.876,530 0.978,531 0.839,532 0.931,533 0.746,534 0.885,535 1.123,536 1.044,537 0.972,538 0.991,539 1.2,540 0.963,541 7,542 0.242,543 5.111,544 4.083,545 2.036,546 1.504,547 0.996,548 0.836,549 0.588,550 0.416,551 26254,552 71317,553 2.139,554 41.8,556 24,557 1,558 1,559 2,564 1.793,565 2,566 3.838,567 0.136,573 105.006,574 1.567,575 3.829,576 4.902,577 5.428,578 5.518,579 5.518,580 3.384,581 4.958,582 5.251,583 4.041,584 2994.71,585 9.258,586 50670.7,591 406.428,592 1.416,593 5.217,594 0.159,595 0.006,596 0.08,597 0.059,598 0.031,599 0.026,600 0.018,601 0.015,602 0.011,603 0.008,604 0.413,605 0.33,606 0.75,607 0.787,608 218.946,609 -0.074,610 -0.186,611 0.043,612 -0.028,613 -0.078,614 0.016,615 -0.077,616 0.193,617 0.03,618 0.128,619 -0.015,620 0.114,621 0.016,622 0.052,623 0.016,624 0.012,625 0.038,626 0.018,627 0.015,628 -0.039,629 -0.025,630 -0.043,631 0.047,632 -0.038,633 -0.098,634 0.008,635 -0.083,636 0.022,637 -0.136,638 -0.022,639 0.054,640 -0.011,641 0.068,642 0.017,643 -0.025,644 0.037,645 -0.009,646 0.008,647 0.135,648 0.063,649 0.039,650 0.118,651 -0.035,652 -0.05,653 -0.009,654 0.001,655 0.002,657 2.036,658 6.097,659 0.769,660 50.718,661 1.01,662 1.12,663 2.198,664 4.831,665 0.678,666 3.807,667 4.174,668 4.522,669 4.836,670 5.069,671 5.193,672 5.403,673 5.58,674 5.707,675 5.864,676 8.652,677 0.656,678 524.62,679 3.807,680 5.38,681 6.267,682 7.174,683 8.076,684 8.989,685 9.898,686 10.813,687 11.726,688 12.644,689 6,692 1,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 67,733 25,734 2,735 44,737 72,738 30,739 19,740 5,741 7,742 4,746 6,747 8,752 1,761 23,762 7,766 3,771 2,773 1,775 3,781 28,782 8,783 2,784 9,790 4,794 0.667,795 5,796 1,805 1,807 1,811 2,812 4,815 2,831 2,836 1,838 1,840 4,844 1,848 39,853 2,854 6,856 1,859 2,870 7.5,871 1,872 1,873 2,875 1,877 19.5,878 12.367,879 8.472,880 4.001,881 5.229,882 1.563,883 0.99,884 6.792,885 14.512,886 4.078,887 4.712,888 5.374,889 6.005,890 6.568,891 6.972,892 7.495,893 7.99,894 8.41,895 8.882,896 1,897 69,898 14.514,900 6.437,901 7.846,902 27.485,904 23.278,905 2.346,906 91.5,910 306.049,911 162.847,912 24.933,914 146.656,917 162.847,918 452.705,919 24.933,920 8.396,921 13.653,922 137.017,923 138.327,924 48.815,925 11.771,926 282.506,928 306.049,929 187.78,930 146.656,933 306.049,934 103.973,935 42.683,937 29.439,938 126.836,939 31.505,941 306.049,942 171.59,943 162.847,946 306.049,947 51.07,948 119.925,950 163.442,951 306.049,952 171.59,953 162.847,955 0.589,956 0.362,957 0.203,958 0.107,959 33,960 15,961 0.069,962 5,963 2,964 1.133,965 4.85,966 406.712,967 0.133,968 30,969 198.131,974 25.472,975 10.399,976 4.662,977 1.592,978 169.691,979 17.846,980 4.549,984 3.594,985 1.892,986 85.367,987 640.485,988 58,993 26.073,995 1.684,997 -0.241,999 67.647,1000 75.023,1001 0.258,1002 0.631,1003 0.808,1004 0.895,1005 0.91,1006 0.91,1007 5.345,1008 1.988,1009 6.271,1010 6.357,1011 4.86,1012 5.4,1013 1.844,1014 7.143,1015 4.793,1016 6.568,1017 1.915,1018 7.868,1019 6.047,1020 4.511,1021 5.286,1022 0.57,1023 8.153,1024 4.42,1025 7.897,1026 1.723,1027 9.566,1028 5.751,1029 6.512,1030 7.652,1031 1.806,1032 11.303,1033 6.393,1034 9.265,1035 1.436,1036 11.324,1037 5.041,1038 7.004,1039 8.404,1040 0.801,1041 13.165,1042 6.871,1043 10.669,1044 1.229,1045 13.12,1046 3.902,1047 8.474,1048 10.25,1049 1.913,1050 15.839,1051 8.316,1052 12.098,1053 1.173,1054 14.943,1055 3.345,1056 9.345,1057 11.409,1058 1.074,1059 18.05,1060 9.175,1061 13.548,1062 1.077,1063 16.786,1064 2.741,1065 10.617,1066 13.053,1067 2.092,1068 20.571,1069 10.426,1070 3.32,1071 1,1072 18.645,1073 2.395,1074 11.657,1075 14.407,1076 1.404,1077 22.926,1078 11.451,1079 3.221,1080 11.953,1081 20.515,1082 2.277,1083 12.859,1084 15.973,1085 2.32,1086 25.399,1087 12.633,1088 2.982,1089 11.345,1090 22.396,1091 4.726,1092 13.973,1093 17.42,1094 1.768,1095 27.814,1096 13.731,1097 2.669,1098 9.684,1099 24.285,1100 4.204,1101 15.152,1102 18.959,1103 2.581,1104 30.274,1105 14.891,1106 2.48,1107 8.674,1108 26.181,1109 3.834,1110 16.3,1111 20.451,1112 2.15,1113 32.715,1114 16.021,1115 2.397,1116 7.613,1117 28.083,1118 3.411,1119 17.474,1120 21.984,1121 2.867,1122 35.173,1123 17.175,1124 2.078,1125 7.084,1126 29.989,1127 3.258,1128 18.638,1129 23.499,1130 2.538,1131 37.625,1132 18.32,1133 24265,1134 40196,1135 29.649,1136 45.432,1137 67.872,1138 69.852,1139 70.243,1140 67.016,1141 66.901,1142 87.024,1143 6.306,1144 200.826,1145 64.567,1146 5.749,1147 5.756,1148 6.77,1149 5.366,1150 5.32,1151 7.726,1152 2.293,1153 19.357,1154 5.252,1155 19.449,1156 1.543,1157 1.588,1158 1.596,1159 1.523,1160 1.52,1161 1.978,1162 0.143,1163 4.564,1164 1.467,1165 4.168,1166 4.198,1167 4.142,1168 4.08,1169 7.43,1170 4.091,1171 3.973,1172 3.977,1173 3.945,1174 3.885,1175 7.426,1176 3.897,1177 3.925,1178 3.972,1179 3.867,1180 3.811,1181 6.469,1182 3.819,1183 3.793,1184 3.848,1185 3.691,1186 3.618,1187 6.456,1188 3.628,1189 3.506,1190 3.547,1191 3.439,1192 3.39,1193 5.035,1194 3.397,1195 3.456,1196 3.5,1197 3.357,1198 3.255,1199 4.8,1200 3.271,1201 3.389,1202 3.447,1203 3.264,1204 3.2,1205 4.671,1206 3.205,1207 3.145,1208 3.206,1209 3.053,1210 2.949,1211 4.382,1212 2.967,1213 0.108,1214 0.085,1215 0.159,1216 0.098,1217 0.075,1218 4.749,1219 0.107,1220 3.756,1221 0.027,1222 7,1223 0.272,1224 4.298,1225 0.074,1226 3.32,1227 4.726,1228 1.2,1229 11.953,1230 3.252,1231 2.003,1232 1.984,1233 2.076,1234 2.086,1235 1.313,1236 2.083,1237 1.861,1238 1.849,1239 1.984,1240 2.016,1241 1.216,1242 2.01,1243 1.815,1244 1.775,1245 1.945,1246 1.951,1247 1.051,1248 1.947,1249 1.728,1250 1.674,1251 1.851,1252 1.891,1253 0.979,1254 1.883,1255 1.652,1256 1.609,1257 1.792,1258 1.814,1259 0.926,1260 1.81,1261 1.409,1262 1.352,1263 1.683,1264 1.667,1265 0.885,1266 1.672,1267 1.364,1268 1.315,1269 1.555,1270 1.57,1271 0.825,1272 1.56,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.618,1278 1.429,1279 4.489,1281 5.844,1282 3.045,1283 7.397,1284 5.533,1285 9.039,1286 7.727,1287 10.728,1289 1.89,1294 19.297,1295 3.528,1297 5.792,1300 4.003,1305 43.981,1306 105.006,1307 256.552,1308 328.454,1309 363.673,1310 369.673,1311 369.673,1312 79.655,1313 9.283,1314 112.04,1315 112.04,1316 34,1317 13.155,1318 4.7,1319 3.907,1320 55.302,1321 198,1322 262,1323 0.132,1324 263.283,1325 463.43,1326 634.169,1327 177835,1329 27.095,1330 0.695,1331 0.551,1332 27.095,1333 21.502,1334 18.94,1335 0.43,1336 0.293,1337 12.675,1338 18.166,1339 12.422,1340 10.19,1341 18.94,1342 12.875,1343 17.249,1344 0.27,1345 0.153,1346 17.249,1347 9.777,1348 15.508,1349 0.17,1350 0.081,1351 15.508,1352 7.367,1353 13.554,1354 0.108,1355 0.043,1356 13.554,1357 5.335,1358 10.849,1359 0.069,1360 0.023,1361 10.849,1362 3.65,1363 0.211,1364 119.196,1365 0.184,1366 35.306,1367 0.355,1368 216,1369 640.086,1370 236.422,1371 612.681,1372 841.24,1373 574,1374 263,1375 621.302,1376 285.672,1377 627.674,1378 932.83,1379 592,1380 7}
{0 CHEMBL1092814,1 1.487,2 10.071,3 3.796,4 14.407,5 107.656,6 8.373,7 0.688,8 3.922,9 4.005,10 3.598,11 3.55,12 5.133,13 3.549,14 4.399,15 4.516,16 3.991,17 3.949,18 5.587,19 3.943,20 4.612,21 4.747,22 4.05,23 4.052,24 5.84,25 4.024,26 4.663,27 4.832,28 3.975,29 4.038,30 5.821,31 3.99,32 4.606,33 4.759,34 3.936,35 3.997,36 5.758,37 3.95,38 4.649,39 4.836,40 3.934,41 3.966,42 5.852,43 3.912,44 4.577,45 4.758,46 3.828,47 3.877,48 5.749,49 3.83,50 4.527,51 4.723,52 3.667,53 3.78,54 5.67,55 3.715,56 0.048,57 0.557,58 6.763,59 3.742,60 8.722,61 4.113,62 0.129,63 0.94,64 12.282,65 6.059,66 12.549,67 6.834,68 0.277,69 1.113,70 17.026,71 8.047,72 35.148,73 9.165,74 0.345,75 1.206,76 19.776,77 8.581,78 42.501,79 10.122,80 0.253,81 1.123,82 17.64,83 8.091,84 29.803,85 9.342,86 0.376,87 1.213,88 20.231,89 8.554,90 51.434,91 10.714,92 0.317,93 1.11,94 19.101,95 7.885,96 40.05,97 9.19,98 0.296,99 1.042,100 19.199,101 7.798,102 42.431,103 9.148,104 10,105 47,106 0.251,107 0.59,108 0.757,109 0.851,110 0.872,111 0.872,112 3.376,113 0.833,114 -3.92,115 -3.88,116 -3.68,119 52.3,124 1,135 1,138 1,142 9,143 5,144 2,145 1,151 1,157 1,161 1,172 13,174 1,175 8,180 2,183 16,186 1,187 8,192 1,195 14,199 9,202 1,204 1,207 12,211 1,212 6,220 10,223 2,224 8,227 1,229 1,232 7,236 1,237 9,242 1,245 6,250 7,255 1,258 7,263 4,266 1,268 1,271 8,275 1184,276 19.154,277 19.154,278 19.154,279 19.154,280 19.154,281 16.259,282 11.91,283 11.107,284 19.435,285 15.815,286 15.815,287 15.815,288 15.815,289 15.815,290 11.387,291 12.888,292 5.291,293 16.284,294 3.973,295 1.961,296 0.973,297 0.415,298 0.29,299 0.29,300 4.086,303 1,304 1,305 1,306 632,307 2.55,310 104.397,311 210.179,314 202.349,318 1.301,319 26.387,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 282,332 4.747,333 3.729,334 6.998,335 4.291,336 3.314,337 4.725,338 0.86,339 11.948,340 3.245,341 4.509,342 3.309,343 6.689,344 4.145,345 3.165,346 4.116,348 10.772,349 3.104,350 4.056,351 2.836,352 6.063,353 3.652,354 2.672,355 3.641,357 8.678,358 2.618,359 3.852,360 2.693,361 5.64,362 3.392,363 2.423,364 3.308,366 7.418,367 2.34,368 3.511,369 2.475,370 5.373,371 3.075,372 2.113,373 2.884,375 6.44,376 2.023,377 3.408,378 2.227,379 5.004,380 2.92,381 1.942,382 2.804,384 5.609,385 1.897,386 3.186,387 2.006,388 4.823,389 2.728,390 1.76,391 2.425,393 5.102,394 1.691,395 3.033,396 1.86,397 4.688,398 2.611,399 1.668,400 2.174,402 4.832,403 1.556,404 2.873,405 1.49,406 4.23,407 2.416,408 1.449,409 2.025,411 3.607,412 1.399,413 2.683,414 1.408,415 3.736,416 2.183,417 1.206,418 1.762,420 2.863,421 1.176,422 2.5,423 1.201,424 3.555,425 2,426 1,427 1.5,428 2.493,429 1,430 2.5,431 1,432 3.491,433 1.965,434 0.983,435 1.428,436 2.136,437 0.96,438 2.333,439 0.979,440 3.247,441 1.819,442 0.827,443 1.187,445 2.068,446 0.811,447 1.415,448 0.461,449 2.987,450 0.955,451 -0.013,452 -0.017,454 -0.036,455 -0.012,456 1.064,457 0.091,458 2.533,459 0.654,460 -0.302,461 -0.381,463 -0.728,464 -0.28,465 13.3,466 0.475,467 0.73,468 0.026,469 42.25,470 1.509,471 24,472 0.857,473 18.25,474 0.652,475 18.659,476 0.666,477 27.5,478 0.625,479 32.29,480 1.153,481 8.502,482 0.304,483 5.112,484 0.183,485 0.088,487 0.406,493 0.799,494 1.065,495 0.675,496 0.885,497 0.732,498 0.783,499 0.83,500 0.903,501 0.737,502 0.858,503 0.602,504 0.784,505 0.945,506 1.095,507 0.915,508 1.031,509 0.872,510 0.983,511 0.93,512 0.96,513 0.984,514 0.956,515 0.905,516 0.967,517 1,518 1.12,519 1.051,520 1.099,521 0.971,522 1.09,523 0.675,524 1.072,525 0.896,526 1.023,527 0.663,528 1,529 1.151,530 1.03,531 1.038,532 0.983,533 0.956,534 0.987,535 1.24,536 0.976,537 1.1,538 0.984,539 1.237,540 1.009,541 5,542 0.089,543 3.333,544 3.118,545 1.218,546 1.244,547 0.569,548 0.548,549 0.296,550 0.229,551 9628,552 26448,553 2.177,554 36.4,556 13,557 1,558 1,559 1,564 1.715,565 2.049,566 3.303,567 -0.394,569 1,573 65.418,574 1.487,575 3.498,576 4.487,577 5.044,578 5.17,579 5.17,580 2.678,581 4.209,582 4.781,583 3.42,584 1292.59,585 8.338,586 16375.9,588 1,590 1,591 240.215,592 1.375,593 4.745,594 0.156,595 0.005,596 0.071,597 0.065,598 0.028,599 0.03,600 0.014,601 0.015,602 0.01,603 0.009,604 0.402,605 0.5,606 0.88,607 0.517,608 137.907,609 -0.061,610 -0.082,611 0.039,612 0.007,613 -0.114,614 0.032,615 -0.034,616 0.123,617 0.05,618 0.042,619 0.002,620 0.063,621 0.028,622 -0.132,623 -0.036,624 -0.086,625 0.021,626 -0.077,627 0.003,628 0.033,629 -0.039,630 0.006,631 -0.002,632 -0.013,633 -0.056,634 -0.145,635 -0.139,636 -0.146,637 -0.101,638 -0.159,639 0.207,640 -0.06,641 0.085,642 -0.056,643 0.196,644 -0.018,645 -0.079,646 -0.026,647 -0.042,648 -0.015,649 -0.016,650 -0.021,651 -0.15,652 0.001,653 -0.059,654 0.011,655 -0.072,656 -0.002,657 1.864,658 5.713,659 0.857,660 22.449,661 1.008,662 1.103,663 2.691,664 7.239,665 0.721,666 3.497,667 3.871,668 4.22,669 4.564,670 4.812,671 4.927,672 5.118,673 5.273,674 5.361,675 5.468,676 5.918,677 0.702,678 368.41,679 3.497,680 5.069,681 5.958,682 6.872,683 7.78,684 8.701,685 9.616,686 10.539,687 11.458,688 12.383,689 4.5,697 1,699 1,703 2,704 11,705 1,709 6,710 1,711 22,716 1,728 1,729 1,731 44,733 24,734 2,735 32,737 48,738 23,739 19,740 4,741 8,742 3,746 5,747 7,761 22,762 1,766 2,771 1,773 1,775 2,778 1,781 16,782 4,783 1,784 5,790 2,794 0.6,795 3,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 1,848 28,853 1,856 1,870 6.8,872 1,873 1,875 1,877 13.667,878 8.433,879 5.972,880 2.546,881 4.968,882 1.607,883 1.035,884 3.813,885 13.154,886 3.829,887 4.514,888 5.202,889 5.871,890 6.461,891 6.852,892 7.355,893 7.835,894 8.216,895 8.661,896 0.857,897 48,898 10.339,900 4.581,901 7.792,902 19.544,904 16.517,905 2.292,906 64.167,909 1,910 176.567,911 153.905,912 18.685,914 78.828,917 153.905,918 255.395,919 18.685,920 8.396,922 103.81,923 108.477,924 42.505,925 11.771,926 153.024,928 176.567,929 172.589,930 78.828,933 176.567,934 78.828,937 12.662,938 128.422,939 31.505,941 176.567,942 97.513,943 153.905,946 176.567,947 32.651,948 123.153,950 95.614,951 176.567,952 97.513,953 153.905,955 0.592,956 0.359,957 0.207,958 0.116,959 26,960 11,961 0.042,962 2,963 2,964 1.167,965 3.917,966 265.597,967 0.167,968 24,969 130.606,974 16.784,975 6.361,976 2.738,977 1.785,978 95.614,979 20.289,980 4.507,984 3.855,985 1.937,986 42.683,987 427.984,988 45,993 12.713,995 1.746,997 0.035,999 44.371,1000 48.531,1001 0.272,1002 0.641,1003 0.822,1004 0.924,1005 0.947,1006 0.947,1007 5.078,1008 1.668,1009 5.964,1010 5.102,1011 4.554,1012 5.201,1013 0.908,1014 6.841,1015 4.5,1016 6.325,1017 1.449,1018 7.56,1019 4.832,1020 4.205,1021 5.075,1023 7.847,1024 4.124,1025 7.661,1026 1.206,1027 9.257,1028 3.607,1029 6.205,1030 7.503,1031 0.739,1032 11.014,1033 6.107,1034 9.037,1035 1,1036 11.016,1037 2.863,1038 6.698,1039 8.235,1041 12.886,1042 6.581,1043 10.447,1044 0.983,1045 12.813,1046 2.493,1047 8.177,1048 10.124,1049 0.593,1050 15.571,1051 8.042,1052 11.882,1053 0.827,1054 14.639,1055 2.136,1056 9.056,1057 11.273,1059 17.794,1060 8.902,1061 13.339,1062 -0.013,1063 16.485,1064 2.068,1065 10.337,1066 12.942,1067 0.469,1068 20.322,1069 10.166,1070 3.314,1071 -0.302,1072 18.347,1073 -0.036,1074 11.387,1075 14.295,1077 22.685,1078 11.196,1079 3.165,1080 11.948,1081 20.222,1082 -0.728,1083 12.596,1084 15.876,1085 0.366,1086 25.162,1087 12.387,1088 2.672,1089 10.772,1090 22.106,1091 4.725,1092 13.72,1093 17.326,1095 27.582,1096 13.49,1097 2.423,1098 8.678,1099 23.999,1100 4.116,1101 14.905,1102 18.875,1103 0.283,1104 30.046,1105 14.656,1106 2.113,1107 7.418,1108 25.898,1109 3.641,1110 16.06,1111 20.372,1113 32.49,1114 15.791,1115 1.942,1116 6.44,1117 27.803,1118 3.308,1119 17.24,1120 21.912,1121 0.217,1122 34.951,1123 16.951,1124 1.76,1125 5.609,1126 29.712,1127 2.884,1128 18.409,1129 23.432,1131 37.407,1132 18.099,1133 8900,1134 14904,1135 21.789,1136 31.705,1137 49.837,1138 50.64,1139 50.798,1140 49.128,1141 49.045,1142 67.957,1143 1.72,1144 147.931,1145 47.642,1146 5.557,1147 5.729,1148 6.8,1149 5.356,1150 5.314,1151 7.725,1152 1.72,1153 19.346,1154 5.245,1155 11.66,1156 1.557,1157 1.583,1158 1.587,1159 1.535,1160 1.533,1161 2.124,1162 0.054,1163 4.623,1164 1.489,1165 4.163,1166 4.193,1167 4.137,1168 4.074,1169 7.428,1170 4.085,1171 3.971,1172 3.976,1173 3.941,1174 3.883,1175 6.471,1176 3.894,1177 3.843,1178 3.879,1179 3.775,1180 3.767,1181 5.036,1182 3.766,1183 3.497,1184 3.521,1185 3.443,1186 3.382,1187 4.797,1188 3.391,1189 3.398,1190 3.452,1191 3.299,1192 3.228,1193 4.719,1194 3.24,1195 3.08,1196 3.127,1197 2.981,1198 2.905,1199 4.368,1200 2.913,1201 2.901,1202 2.944,1203 2.799,1204 2.755,1205 4.215,1206 2.755,1207 2.862,1208 2.928,1209 2.72,1210 2.735,1211 3.914,1212 2.715,1213 0.148,1214 0.117,1215 0.219,1216 0.134,1217 0.104,1218 4.747,1219 0.148,1220 3.729,1221 0.027,1222 6.998,1223 0.373,1224 4.291,1225 0.101,1226 3.314,1227 4.725,1228 0.86,1229 11.948,1230 3.245,1231 1.994,1232 1.973,1233 2.074,1234 2.069,1235 1.211,1236 2.07,1237 1.861,1238 1.849,1239 1.943,1240 1.951,1241 1.053,1242 1.947,1243 1.751,1244 1.722,1245 1.86,1246 1.892,1247 0.945,1248 1.886,1249 1.651,1250 1.608,1251 1.791,1252 1.809,1253 0.885,1254 1.807,1255 1.368,1256 1.327,1257 1.555,1258 1.571,1259 0.612,1260 1.56,1261 1.065,1262 1.036,1263 1.232,1264 1.255,1265 0.285,1266 1.247,1267 0.886,1268 0.846,1269 1.181,1270 1.108,1271 0.218,1272 1.107,1273 0.872,1274 0.821,1275 1.095,1276 1.062,1277 0.166,1278 1.075,1279 4.174,1281 5.533,1282 3.045,1283 7.089,1284 5.533,1285 8.734,1286 7.719,1287 10.428,1289 1.927,1294 9.643,1297 5.73,1305 30.875,1306 65.418,1307 153.911,1308 197.421,1309 221.95,1310 227.46,1311 227.46,1312 42.784,1313 8.186,1314 68.26,1315 68.26,1316 28,1317 12.889,1318 4.644,1319 3.807,1320 37.477,1321 98,1322 103,1323 0.186,1324 184.876,1325 317.75,1326 442.857,1327 42818,1329 19.25,1330 0.688,1331 0.539,1332 19.25,1333 15.086,1334 13.614,1335 0.425,1336 0.278,1337 8.779,1338 13.193,1339 8.568,1340 7.089,1341 13.614,1342 8.884,1343 12.64,1344 0.269,1345 0.143,1346 12.64,1347 6.739,1348 11.202,1349 0.167,1350 0.073,1351 11.202,1352 4.911,1353 9.968,1354 0.105,1355 0.038,1356 9.968,1357 3.622,1358 8.265,1359 0.068,1360 0.02,1361 8.265,1362 2.476,1363 0.285,1364 84.77,1365 0.214,1366 26.189,1367 0.534,1368 158,1369 454.911,1370 170.273,1371 444.079,1372 620.17,1373 416,1374 193,1375 472.221,1376 206.577,1377 480.237,1378 710.63,1379 453,1380 6.66}
{0 CHEMBL1092815,1 1.547,2 11.667,3 3.21,4 10.302,5 126.03,6 8.139,7 0.595,8 4.111,9 4.204,10 3.756,11 3.69,12 5.318,13 3.691,14 4.609,15 4.755,16 4.153,17 4.091,18 5.779,19 4.089,20 4.803,21 4.929,22 4.265,23 4.232,24 6.085,25 4.214,26 4.955,27 5.128,28 4.219,29 4.245,30 6.246,31 4.207,32 4.856,33 5.017,34 4.085,35 4.213,36 6.009,37 4.147,38 4.902,39 5.119,40 4.047,41 4.17,42 5.945,43 4.088,44 4.791,45 4.993,46 4.05,47 4.07,48 5.925,49 4.026,50 4.728,51 4.889,52 4.043,53 4.031,54 5.966,55 4.006,56 0.068,57 0.741,58 9.024,59 4.728,60 10.504,61 5.417,62 0.282,63 1.233,64 17.678,65 7.526,66 19.418,67 8.976,68 0.296,69 1.401,70 20.921,71 9.952,72 37.072,73 11.567,74 0.683,75 1.596,76 29.004,77 11.35,78 103.22,79 13.371,80 0.388,81 1.478,82 24.035,83 10.642,84 48.957,85 12.662,86 0.407,87 1.556,88 28.561,89 11.589,90 49.483,91 15.321,92 0.37,93 1.378,94 25.392,95 10.043,96 44.816,97 12.784,98 0.395,99 1.28,100 22.154,101 9.005,102 52.383,103 10.461,104 39,105 55,106 0.251,107 0.6,108 0.739,109 0.824,110 0.842,111 0.842,112 3.532,113 0.841,114 -4.13,115 -4.07,116 -3.85,119 48.1,124 3,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 13,174 2,175 10,180 2,183 16,186 1,187 11,192 1,195 14,199 13,202 2,204 1,207 11,211 1,212 9,217 1,220 10,223 2,224 10,229 1,232 7,236 1,237 12,242 1,245 6,250 9,253 1,255 1,258 6,262 4,263 7,266 1,268 2,271 8,275 1991,276 22.068,277 22.068,278 22.068,279 22.068,280 22.068,281 19.105,282 16.884,283 12.507,284 22.43,285 18.196,286 18.196,287 18.196,288 18.196,289 18.196,290 13.524,291 18.246,292 5.854,293 18.756,294 4.207,295 2.055,296 1.195,297 0.672,298 0.56,299 0.56,300 4.235,304 1,305 1,306 842,307 3.606,310 132.709,311 269.106,314 257.655,318 1.96,319 37.906,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 71.5,331 385,332 4.749,333 3.756,334 7,335 4.298,336 3.32,337 4.726,338 1.2,339 11.953,340 3.252,341 4.569,342 3.664,343 6.862,344 4.2,345 3.221,346 4.204,347 0.86,348 11.345,349 3.155,350 4.25,351 3.31,352 6.288,353 3.911,354 2.919,355 3.83,356 0.293,357 9.222,358 2.89,359 3.973,360 2.818,361 6.056,362 3.61,363 2.632,364 3.399,366 8.63,367 2.572,368 3.831,369 2.703,370 5.735,371 3.36,372 2.397,373 3.258,375 7.613,376 2.304,377 3.42,378 2.57,379 5.374,380 3.003,381 2.047,382 2.739,384 6.315,385 1.951,386 3.349,387 2.195,388 5.074,389 2.937,390 1.972,391 2.662,393 5.752,394 1.908,395 3.279,396 2.125,397 4.948,398 2.874,399 1.913,400 2.523,402 5.427,403 1.805,404 3.02,405 1.948,406 4.77,407 2.635,408 1.68,409 2.165,411 4.797,412 1.601,413 2.922,414 1.777,415 4.404,416 2.412,417 1.436,418 2.051,420 3.902,421 1.395,422 2.68,423 1.688,424 4.158,425 2.186,426 1.21,427 1.759,428 3.269,429 1.178,430 2.57,431 1.342,432 3.716,433 2.077,434 1.101,435 1.53,436 2.708,437 1.066,438 2.5,439 1.225,440 3.56,441 2,442 1,443 1.5,445 2.372,446 1,447 2.412,448 1.08,449 3.414,450 1.957,451 0.992,452 1.32,454 2.275,455 0.943,456 2.15,457 1,458 3.216,459 1.686,460 0.653,461 0.889,463 1.504,464 0.664,465 15.533,466 0.471,467 0.998,468 0.03,469 47.25,470 1.432,471 25.5,472 0.773,473 21.75,474 0.659,475 25.067,476 0.76,477 33.667,478 0.623,479 40.76,480 1.235,481 9.621,482 0.292,483 6.225,484 0.189,485 0.161,487 0.438,493 0.766,494 1.232,495 0.697,496 0.992,497 0.666,498 0.861,499 0.83,500 0.764,501 0.698,502 0.706,503 0.587,504 0.659,505 0.906,506 1.199,507 0.879,508 1.147,509 0.851,510 1.039,511 1.168,512 0.904,513 1.019,514 0.895,515 1.259,516 0.918,517 0.998,518 1.13,519 1.171,520 1.164,521 0.979,522 1.199,523 0.634,524 1.017,525 0.879,526 1.011,527 0.647,528 0.998,529 0.873,530 0.96,531 0.791,532 0.899,533 0.644,534 0.841,535 1.246,536 1.108,537 1.005,538 1.024,539 1.286,540 0.983,541 6.5,542 0.221,543 4.667,544 3.833,545 1.774,546 1.345,547 0.835,548 0.694,549 0.588,550 0.415,551 14983,552 42756,553 2.094,554 38.9,556 18,557 1,558 1,559 1,564 1.755,565 1.922,566 3.5,567 -0.382,569 1,573 83.559,574 1.547,575 3.7,576 4.56,577 5.083,578 5.194,579 5.194,580 2.923,581 4.802,582 5.013,583 3.698,584 1952.52,585 8.799,586 28359.4,588 1,591 310.764,592 1.501,593 4.959,594 0.176,595 0.007,596 0.085,597 0.065,598 0.032,599 0.028,600 0.018,601 0.015,602 0.013,603 0.01,604 0.449,605 0.5,606 0.88,607 0.906,608 173.364,609 -0.055,610 -0.166,611 0.044,612 -0.038,613 -0.094,614 0.007,615 -0.019,616 0.334,617 0.146,618 0.232,619 0.014,620 0.235,621 0.025,622 -0.207,623 -0.027,624 -0.17,625 0.038,626 -0.121,627 -0.034,628 0.082,629 -0.045,630 0.079,631 -0.006,632 0.032,633 -0.117,634 -0.144,635 -0.271,636 -0.183,637 -0.141,638 -0.246,639 0.086,640 -0.045,641 0.104,642 -0.012,643 0.007,644 0.036,645 0.018,646 0.019,647 0.198,648 0.09,649 0.086,650 0.164,651 -0.116,652 -0.119,653 -0.052,654 -0.056,655 -0.106,656 -0.048,657 2.03,658 5.864,659 0.727,660 33.778,661 1.011,662 1.112,663 2.898,664 8.396,665 0.698,666 3.638,667 4.025,668 4.369,669 4.682,670 4.905,671 5.037,672 5.257,673 5.442,674 5.565,675 5.704,676 7.036,677 0.679,678 439.5,679 3.638,680 5.22,681 6.111,682 7.026,683 7.933,684 8.852,685 9.765,686 10.686,687 11.604,688 12.527,689 5.6,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 54,733 25,734 2,735 37,737 58,738 26,739 19,740 5,741 7,742 4,746 5,747 7,761 23,762 3,766 3,771 2,773 1,775 3,778 1,781 21,782 6,783 1,784 7,790 3,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 3,848 33,853 1,856 1,859 1,870 7.4,872 1,873 2,875 1,877 17.167,878 10.967,879 7.056,880 3.051,881 5.179,882 1.602,883 1.004,884 5.123,885 13.784,886 3.951,887 4.627,888 5.311,889 5.954,890 6.528,891 6.937,892 7.465,893 7.961,894 8.374,895 8.845,896 0.875,897 59,898 12.224,900 5.392,901 7.879,902 22.885,904 19.058,905 2.379,906 78.5,909 1,910 235.422,911 169.111,912 21.809,914 103.973,917 169.111,918 339.395,919 21.809,920 25.189,921 3.124,922 94.334,923 138.327,924 45.691,925 11.771,926 211.88,928 235.422,929 190.92,930 103.973,933 235.422,934 103.973,937 15.786,938 143.629,939 31.505,941 235.422,942 125.782,943 169.111,946 235.422,947 40.541,948 133.594,950 120.759,951 235.422,952 125.782,953 169.111,955 0.599,956 0.368,957 0.199,958 0.103,959 29,960 14,961 0.052,962 3,963 2,964 1.167,965 4.245,966 327.52,967 0.167,968 24,969 160.465,974 21.136,975 7.999,976 3.538,977 1.606,978 123.883,979 17.688,980 4.511,984 3.611,985 1.888,986 42.683,987 530.315,988 51,993 25.109,995 1.68,997 -0.288,999 54.567,1000 60.069,1001 0.269,1002 0.643,1003 0.792,1004 0.883,1005 0.903,1006 0.903,1007 5.218,1008 1.913,1009 6.133,1010 5.752,1011 4.71,1012 5.316,1013 1.679,1014 7.022,1015 4.656,1016 6.47,1017 1.68,1018 7.746,1019 5.427,1020 4.443,1021 5.255,1022 0.325,1023 8.069,1024 4.365,1025 7.812,1026 1.436,1027 9.459,1028 4.797,1029 6.382,1030 7.613,1031 1.728,1032 11.218,1033 6.287,1034 9.193,1035 1.21,1036 11.229,1037 3.902,1038 6.929,1039 8.386,1040 0.653,1041 13.101,1042 6.817,1043 10.607,1044 1.101,1045 13.035,1046 3.269,1047 8.37,1048 10.232,1049 1.872,1050 15.779,1051 8.242,1052 12.045,1053 1,1054 14.866,1055 2.708,1056 9.274,1057 11.4,1058 1.001,1059 18.003,1060 9.129,1061 13.503,1062 0.992,1063 16.717,1064 2.372,1065 10.536,1066 13.045,1067 2.071,1068 20.528,1069 10.374,1070 3.32,1071 0.653,1072 18.582,1073 2.275,1074 11.595,1075 14.402,1076 1.37,1077 22.891,1078 11.414,1079 3.221,1080 11.953,1081 20.458,1082 1.504,1083 12.794,1084 15.969,1085 2.309,1086 25.367,1087 12.595,1088 2.919,1089 11.345,1090 22.344,1091 4.726,1092 13.919,1093 17.417,1094 1.754,1095 27.787,1096 13.7,1097 2.632,1098 9.222,1099 24.237,1100 4.204,1101 15.099,1102 18.957,1103 2.576,1104 30.25,1105 14.861,1106 2.397,1107 8.63,1108 26.136,1109 3.83,1110 16.254,1111 20.45,1112 2.143,1113 32.694,1114 15.994,1115 2.047,1116 7.613,1117 28.041,1118 3.399,1119 17.43,1120 21.982,1121 2.865,1122 35.155,1123 17.15,1124 1.972,1125 6.315,1126 29.95,1127 3.258,1128 18.598,1129 23.498,1130 2.535,1131 37.61,1132 18.297,1133 14150,1134 24063,1135 24.391,1136 37.688,1137 58.047,1138 59.944,1139 60.017,1140 57.098,1141 56.988,1142 77.11,1143 4.706,1144 174.169,1145 55.366,1146 5.564,1147 5.756,1148 6.535,1149 5.363,1150 5.32,1151 7.726,1152 2.293,1153 19.356,1154 5.252,1155 18.942,1156 1.569,1157 1.62,1158 1.622,1159 1.543,1160 1.54,1161 2.084,1162 0.127,1163 4.707,1164 1.496,1165 4.166,1166 4.196,1167 4.14,1168 4.078,1169 7.43,1170 4.089,1171 3.973,1172 3.977,1173 3.945,1174 3.885,1175 7.426,1176 3.896,1177 3.895,1178 3.925,1179 3.846,1180 3.803,1181 6.468,1182 3.809,1183 3.575,1184 3.644,1185 3.483,1186 3.405,1187 5.035,1188 3.415,1189 3.48,1190 3.512,1191 3.41,1192 3.31,1193 4.8,1194 3.33,1195 3.384,1196 3.445,1197 3.272,1198 3.207,1199 4.671,1200 3.215,1201 3.072,1202 3.122,1203 2.969,1204 2.907,1205 4.382,1206 2.911,1207 2.992,1208 3.03,1209 2.89,1210 2.811,1211 4.246,1212 2.813,1213 0.128,1214 0.102,1215 0.189,1216 0.116,1217 0.09,1218 4.749,1219 0.128,1220 3.756,1221 0.032,1222 7,1223 0.323,1224 4.298,1225 0.088,1226 3.32,1227 4.726,1228 1.2,1229 11.953,1230 3.252,1231 2.001,1232 1.983,1233 2.072,1234 2.078,1235 1.222,1236 2.076,1237 1.861,1238 1.849,1239 1.945,1240 1.951,1241 1.051,1242 1.947,1243 1.781,1244 1.756,1245 1.874,1246 1.929,1247 0.984,1248 1.914,1249 1.652,1250 1.61,1251 1.795,1252 1.83,1253 0.885,1254 1.823,1255 1.487,1256 1.411,1257 1.751,1258 1.734,1259 0.817,1260 1.743,1261 1.363,1262 1.317,1263 1.554,1264 1.567,1265 0.614,1266 1.558,1267 1.067,1268 1.034,1269 1.417,1270 1.246,1271 0.469,1272 1.308,1273 0.945,1274 0.908,1275 1.233,1276 1.239,1277 0.296,1278 1.246,1279 4.317,1281 5.687,1282 3.045,1283 7.249,1284 5.533,1285 8.898,1286 7.727,1287 10.594,1289 5.325,1294 10.081,1297 5.752,1300 1.537,1305 36.665,1306 83.559,1307 199.816,1308 246.235,1309 274.499,1310 280.499,1311 280.499,1312 64.334,1313 8.605,1314 88.57,1315 88.57,1316 28,1317 13.034,1318 4.7,1319 3.907,1320 47.727,1321 135,1322 148,1323 0.169,1324 221.516,1325 386.8,1326 532.259,1327 72865,1329 23.275,1330 0.705,1331 0.556,1332 23.275,1333 18.364,1334 15.846,1335 0.428,1336 0.28,1337 10.217,1338 15.252,1339 9.88,1340 8.228,1341 15.846,1342 10.372,1343 14.923,1344 0.271,1345 0.148,1346 14.923,1347 8.119,1348 13.228,1349 0.17,1350 0.073,1351 13.228,1352 5.697,1353 11.302,1354 0.106,1355 0.038,1356 11.302,1357 4.095,1358 8.992,1359 0.067,1360 0.02,1361 8.992,1362 2.732,1363 0.263,1364 99.484,1365 0.202,1366 30.312,1367 0.471,1368 184,1369 556.292,1370 200.235,1371 538.481,1372 741.32,1373 502,1374 225,1375 554.97,1376 243.4,1377 565.869,1378 835.94,1379 530,1380 7.444}
{0 CHEMBL1092818,1 1.547,2 10.303,3 3.21,4 10.302,5 126.03,6 8.139,7 0.595,8 4.111,9 4.204,10 3.756,11 3.69,12 5.319,13 3.691,14 4.609,15 4.755,16 4.153,17 4.091,18 5.778,19 4.089,20 4.803,21 4.929,22 4.277,23 4.238,24 6.076,25 4.222,26 4.957,27 5.123,28 4.278,29 4.272,30 6.257,31 4.245,32 4.897,33 5.041,34 4.223,35 4.286,36 6.099,37 4.242,38 5.002,39 5.192,40 4.239,41 4.305,42 6.125,43 4.246,44 4.995,45 5.194,46 4.219,47 4.249,48 6.17,49 4.195,50 4.952,51 5.153,52 4.077,53 4.168,54 6.088,55 4.102,56 0.068,57 0.741,58 9.024,59 4.728,60 10.504,61 5.417,62 0.282,63 1.233,64 17.678,65 7.526,66 19.393,67 8.976,68 0.3,69 1.401,70 20.995,71 9.952,72 37.621,73 11.576,74 0.655,75 1.605,76 28.519,77 11.336,78 99.51,79 13.3,80 0.388,81 1.551,82 24.1,83 10.806,84 49.208,85 12.536,86 0.435,87 1.738,88 29.678,89 12.31,90 55.526,91 15.612,92 0.55,93 1.724,94 30.592,95 12.087,96 58.002,97 15.388,98 0.487,99 1.611,100 29.854,101 11.641,102 65.61,103 14.477,104 39,105 55,106 0.251,107 0.6,108 0.743,109 0.834,110 0.86,111 0.866,112 3.533,113 0.841,114 -4.13,115 -4.07,116 -3.85,119 48.1,124 3,135 1,138 1,142 8,143 6,144 2,145 1,151 1,157 1,158 1,161 1,172 13,174 2,175 10,180 2,183 16,186 1,187 11,192 1,195 14,199 15,202 2,204 1,207 11,211 1,212 13,217 1,220 10,223 2,224 10,229 1,232 7,236 5,237 10,242 1,245 6,250 7,253 1,255 1,258 6,262 2,263 5,266 1,268 2,271 8,275 1881,276 22.121,277 22.121,278 22.121,279 22.121,280 22.121,281 19.13,282 16.884,283 12.63,284 22.483,285 18.213,286 18.213,287 18.213,288 18.213,289 18.213,290 13.517,291 18.246,292 5.914,293 18.773,294 4.207,295 2.055,296 1.172,297 0.611,298 0.449,299 0.412,300 4.235,304 1,305 1,306 742,307 3.606,310 123.829,311 257.124,314 240.321,318 1.585,319 39.288,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 71.5,331 340,332 4.765,333 3.756,334 7.05,335 4.327,336 3.345,337 4.735,338 1.2,339 12.141,340 3.292,341 4.572,342 3.691,343 6.864,344 4.211,345 3.23,346 4.205,347 0.86,348 11.353,349 3.168,350 4.369,351 3.303,352 6.599,353 3.997,354 3.013,355 3.996,356 0.293,357 10.385,358 2.96,359 3.838,360 2.818,361 5.911,362 3.464,363 2.494,364 3.259,366 7.934,367 2.418,368 3.788,369 2.742,370 5.735,371 3.358,372 2.396,373 3.144,375 7.613,376 2.299,377 3.42,378 2.57,379 5.407,380 2.999,381 2.043,382 2.727,384 6.33,385 1.948,386 3.352,387 2.183,388 5.075,389 2.92,390 1.955,391 2.671,393 5.754,394 1.897,395 3.279,396 2.072,397 5.043,398 2.874,399 1.909,400 2.523,402 5.513,403 1.805,404 2.935,405 1.948,406 4.553,407 2.428,408 1.468,409 2.081,411 4.07,412 1.407,413 2.865,414 1.766,415 4.403,416 2.401,417 1.421,418 2.007,420 3.902,421 1.39,422 2.75,423 1.493,424 3.993,425 2.392,426 1.414,427 1.827,428 3.166,429 1.374,430 2.67,431 1.342,432 3.716,433 2.174,434 1.194,435 1.743,436 2.869,437 1.168,438 2.548,439 1.316,440 3.608,441 2.025,442 1.038,443 1.477,445 2.528,446 1.012,447 2.369,448 1.205,449 3.557,450 1.899,451 0.937,452 1.283,454 2.344,455 0.894,456 2.143,457 0.988,458 3.13,459 1.671,460 0.633,461 0.874,463 1.423,464 0.647,465 15.533,466 0.471,467 0.981,468 0.03,469 47.25,470 1.432,471 25.5,472 0.773,473 21.75,474 0.659,475 25.729,476 0.78,477 33.667,478 0.623,479 41.624,480 1.261,481 9.637,482 0.292,483 6.226,484 0.189,485 0.161,487 0.438,493 0.766,494 1.232,495 0.697,496 0.992,497 0.665,498 0.861,499 0.83,500 0.764,501 0.698,502 0.706,503 0.59,504 0.659,505 0.904,506 1.169,507 0.849,508 1.111,509 0.858,510 1,511 1.144,512 0.915,513 0.953,514 0.878,515 1.235,516 0.876,517 1.06,518 1.149,519 1.111,520 1.132,521 1.051,522 1.136,523 0.785,524 1.136,525 0.942,526 1.076,527 0.849,528 1.048,529 0.816,530 1.011,531 0.911,532 1.009,533 0.714,534 0.986,535 1.052,536 1.114,537 1.059,538 1.079,539 1.065,540 1.073,541 6,542 0.213,543 4.444,544 3.958,545 1.854,546 1.459,547 0.962,548 0.829,549 0.596,550 0.303,551 13943,552 39660,553 2.094,554 38.9,556 18,557 1,558 1,559 1,564 1.759,565 1.922,566 3.357,567 -0.382,569 1,573 83.559,574 1.547,575 3.7,576 4.583,577 5.143,578 5.306,579 5.343,580 2.755,581 4.923,582 5.019,583 3.532,584 1864.74,585 8.827,586 26507.3,588 1,591 310.764,592 1.501,593 4.959,594 0.162,595 0.008,596 0.081,597 0.066,598 0.031,599 0.026,600 0.017,601 0.015,602 0.013,603 0.008,604 0.428,605 0.5,606 0.88,607 0.906,608 171.138,609 -0.055,610 -0.166,611 0.044,612 -0.038,613 -0.093,614 0.007,615 -0.019,616 0.334,617 0.146,618 0.232,619 0.011,620 0.235,621 0.027,622 -0.176,623 0.004,624 -0.133,625 0.031,626 -0.082,627 -0.016,628 0.075,629 0.007,630 0.094,631 0.013,632 0.067,633 -0.128,634 -0.145,635 -0.235,636 -0.162,637 -0.126,638 -0.212,639 0.025,640 -0.139,641 0.004,642 -0.096,643 -0.041,644 -0.063,645 0.091,646 -0.007,647 0.071,648 -0.037,649 0.08,650 -0.002,651 -0.073,652 -0.137,653 -0.058,654 -0.099,655 -0.074,656 -0.082,657 2.047,658 5.912,659 0.727,660 28.667,661 1.011,662 1.112,663 2.898,664 8.396,665 0.698,666 3.638,667 4.025,668 4.382,669 4.718,670 4.956,671 5.081,672 5.283,673 5.46,674 5.568,675 5.69,676 6.451,677 0.679,678 439.5,679 3.638,680 5.22,681 6.116,682 7.036,683 7.951,684 8.876,685 9.797,686 10.725,687 11.65,688 12.579,689 5.6,696 1,697 1,699 1,703 2,704 10,705 1,709 7,710 1,711 22,716 1,719 1,728 1,729 1,731 54,733 25,734 2,735 37,737 58,738 26,739 19,740 5,741 7,742 4,746 5,747 7,761 23,762 3,766 3,771 2,773 1,775 3,778 1,781 21,782 6,783 1,784 7,790 3,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 3,848 33,853 1,856 1,859 1,870 7.4,872 1,873 2,875 1,877 17.167,878 10.967,879 7.083,880 3.058,881 5.327,882 1.619,883 1.004,884 5.123,885 13.932,886 3.951,887 4.627,888 5.319,889 5.977,890 6.556,891 6.959,892 7.477,893 7.966,894 8.364,895 8.816,896 0.857,897 60,898 12.241,900 5.414,901 7.879,902 22.885,904 19.063,905 2.379,906 78.5,909 1,910 235.422,911 169.111,912 21.809,914 103.973,917 169.111,918 339.395,919 21.809,920 25.189,921 3.124,922 94.334,923 138.327,924 45.691,925 11.771,926 211.88,928 235.422,929 190.92,930 103.973,933 235.422,934 103.973,937 15.786,938 143.629,939 31.505,941 235.422,942 125.782,943 169.111,946 235.422,947 40.541,948 133.594,950 120.759,951 235.422,952 125.782,953 169.111,955 0.597,956 0.369,957 0.208,958 0.112,959 29,960 14,961 0.052,962 3,963 2,964 1.167,965 4.146,966 335.475,967 0.167,968 24,969 162.465,974 21.136,975 7.999,976 3.444,977 1.5,978 123.883,979 17.594,980 4.517,984 3.257,985 1.867,986 42.683,987 530.315,988 51,993 25.761,995 1.658,997 -0.369,999 54.567,1000 60.069,1001 0.269,1002 0.643,1003 0.796,1004 0.894,1005 0.922,1006 0.928,1007 5.218,1008 1.909,1009 6.138,1010 5.754,1011 4.71,1012 5.316,1013 1.679,1014 7.04,1015 4.656,1016 6.47,1017 1.468,1018 7.757,1019 5.513,1020 4.443,1021 5.255,1022 0.325,1023 8.113,1024 4.365,1025 7.813,1026 1.421,1027 9.478,1028 4.07,1029 6.389,1030 7.617,1031 1.728,1032 11.283,1033 6.295,1034 9.197,1035 1.414,1036 11.257,1037 3.902,1038 6.948,1039 8.402,1040 0.653,1041 13.194,1042 6.839,1043 10.615,1044 1.194,1045 13.075,1046 3.166,1047 8.395,1048 10.249,1049 1.872,1050 15.891,1051 8.27,1052 12.059,1053 1.038,1054 14.918,1055 2.869,1056 9.315,1057 11.429,1058 1.001,1059 18.134,1060 9.177,1061 13.523,1062 0.937,1063 16.78,1064 2.528,1065 10.584,1066 13.075,1067 2.071,1068 20.675,1069 10.43,1070 3.345,1071 0.633,1072 18.656,1073 2.344,1074 11.657,1075 14.442,1076 1.37,1077 23.05,1078 11.488,1079 3.23,1080 12.141,1081 20.543,1082 1.423,1083 12.863,1084 16.01,1085 2.309,1086 25.539,1087 12.68,1088 3.013,1089 11.353,1090 22.439,1091 4.735,1092 14,1093 17.463,1094 1.754,1095 27.968,1096 13.801,1097 2.494,1098 10.385,1099 24.341,1100 4.205,1101 15.187,1102 19.003,1103 2.576,1104 30.442,1105 14.973,1106 2.396,1107 7.934,1108 26.25,1109 3.996,1110 16.351,1111 20.498,1112 2.143,1113 32.894,1114 16.12,1115 2.043,1116 7.613,1117 28.163,1118 3.259,1119 17.534,1120 22.031,1121 2.865,1122 35.365,1123 17.287,1124 1.955,1125 6.33,1126 30.08,1127 3.144,1128 18.71,1129 23.548,1130 2.535,1131 37.829,1132 18.446,1133 13191,1134 22412,1135 24.391,1136 37.688,1137 58.028,1138 59.933,1139 60.173,1140 57.088,1141 56.979,1142 77.103,1143 4.706,1144 174.651,1145 55.357,1146 5.58,1147 5.756,1148 6.729,1149 5.392,1150 5.345,1151 7.735,1152 2.293,1153 19.854,1154 5.292,1155 18.487,1156 1.568,1157 1.62,1158 1.626,1159 1.543,1160 1.54,1161 2.084,1162 0.127,1163 4.72,1164 1.496,1165 4.168,1166 4.198,1167 4.143,1168 4.081,1169 7.43,1170 4.093,1171 3.974,1172 3.977,1173 3.946,1174 3.886,1175 7.426,1176 3.897,1177 3.89,1178 3.921,1179 3.842,1180 3.798,1181 6.468,1182 3.804,1183 3.56,1184 3.636,1185 3.452,1186 3.385,1187 5.033,1188 3.392,1189 3.489,1190 3.519,1191 3.419,1192 3.312,1193 4.8,1194 3.332,1195 3.394,1196 3.45,1197 3.292,1198 3.228,1199 4.679,1200 3.238,1201 3.068,1202 3.12,1203 2.965,1204 2.904,1205 4.383,1206 2.908,1207 3.011,1208 3.049,1209 2.882,1210 2.832,1211 4.245,1212 2.83,1213 0.129,1214 0.102,1215 0.191,1216 0.117,1217 0.09,1218 4.765,1219 0.128,1220 3.756,1221 0.032,1222 7.05,1223 0.328,1224 4.327,1225 0.089,1226 3.345,1227 4.735,1228 1.2,1229 12.141,1230 3.292,1231 2.005,1232 1.988,1233 2.072,1234 2.081,1235 1.23,1236 2.078,1237 1.86,1238 1.849,1239 1.945,1240 1.951,1241 1.051,1242 1.947,1243 1.769,1244 1.743,1245 1.867,1246 1.919,1247 0.97,1248 1.904,1249 1.652,1250 1.609,1251 1.794,1252 1.823,1253 0.885,1254 1.817,1255 1.493,1256 1.413,1257 1.765,1258 1.749,1259 0.821,1260 1.759,1261 1.368,1262 1.327,1263 1.556,1264 1.57,1265 0.614,1266 1.56,1267 1.067,1268 1.034,1269 1.417,1270 1.246,1271 0.469,1272 1.308,1273 0.969,1274 0.927,1275 1.234,1276 1.239,1277 0.296,1278 1.246,1279 4.317,1281 5.687,1282 3.045,1283 7.253,1284 5.533,1285 8.911,1286 7.727,1287 10.619,1289 5.307,1294 10.104,1297 5.762,1300 1.542,1305 36.665,1306 83.559,1307 199.816,1308 247.48,1309 277.744,1310 286.499,1311 288.499,1312 66.284,1313 8.605,1314 88.57,1315 88.57,1316 28,1317 13.082,1318 4.7,1319 3.907,1320 47.502,1321 125,1322 115,1323 0.183,1324 221.516,1325 386.8,1326 532.259,1327 72865,1329 23.275,1330 0.705,1331 0.556,1332 23.275,1333 18.364,1334 15.863,1335 0.429,1336 0.28,1337 10.223,1338 15.268,1339 9.888,1340 8.236,1341 15.863,1342 10.378,1343 14.861,1344 0.27,1345 0.147,1346 14.861,1347 8.088,1348 13.163,1349 0.167,1350 0.072,1351 13.163,1352 5.702,1353 11.476,1354 0.103,1355 0.038,1356 11.476,1357 4.173,1358 9.331,1359 0.066,1360 0.02,1361 9.331,1362 2.844,1363 0.28,1364 99.585,1365 0.202,1366 29.872,1367 0.528,1368 184,1369 556.292,1370 200.235,1371 538.303,1372 741.88,1373 502,1374 226,1375 555.97,1376 244.4,1377 566.604,1378 838.97,1379 531,1380 5.23}
{0 CHEMBL1092841,1 1.568,2 14.083,3 2.3,4 5.29,5 137.066,6 7.373,7 0.55,8 4.298,9 4.432,10 3.865,11 3.77,12 5.375,13 3.769,14 4.845,15 5.042,16 4.205,17 4.154,18 5.891,19 4.133,20 5.051,21 5.265,22 4.232,23 4.302,24 6.035,25 4.241,26 5.136,27 5.392,28 4.224,29 4.306,30 6.094,31 4.226,32 5.093,33 5.331,34 4.255,35 4.297,36 6.112,37 4.244,38 5.06,39 5.26,40 4.265,41 4.357,42 6.093,43 4.293,44 5.138,45 5.366,46 4.164,47 4.39,48 6.051,49 4.282,50 5.141,51 5.391,52 4.068,53 4.327,54 6.031,55 4.184,56 0.036,57 1.057,58 13.881,59 5.208,60 9.497,61 7.419,62 0.503,63 1.643,64 27.286,65 8.289,66 35.899,67 12.155,68 0.444,69 1.922,70 34.093,71 10.767,72 40.591,73 15.997,74 0.444,75 1.989,76 38.759,77 12.116,78 51.595,79 18.563,80 0.526,81 1.921,82 36.95,83 10.955,84 58.494,85 16.537,86 0.464,87 1.967,88 33.645,89 11.406,90 49.758,91 16.373,92 0.498,93 2.024,94 37.318,95 13.079,96 42.265,97 19.095,98 0.386,99 1.91,100 38.433,101 14.743,102 53.003,103 21.464,104 13,105 55,106 0.247,107 0.587,108 0.738,109 0.804,110 0.809,111 0.814,112 3.616,113 0.9,114 -3.84,115 -3.8,116 -3.61,119 39.4,124 2,125 6,142 7,143 2,144 2,145 2,147 1,149 1,151 1,159 1,161 1,172 5,174 3,175 9,178 2,179 1,180 4,183 5,186 2,187 7,192 2,195 2,198 3,199 10,202 1,204 5,207 1,211 2,212 9,217 2,220 3,223 1,224 6,227 3,229 1,232 8,236 4,237 2,245 6,249 2,250 6,253 4,255 1,258 2,263 6,268 1,275 2726,276 24.654,277 24.654,278 24.654,279 24.654,280 24.654,281 21.99,282 29.812,283 14.85,284 25.415,285 19.823,286 19.823,287 19.823,288 19.823,289 19.823,290 15.736,291 40.692,292 7.159,293 21.015,294 4.476,295 2.313,296 1.351,297 0.932,298 0.902,299 0.871,300 4.324,305 1,306 1109,307 3.808,310 91.17,311 461.364,314 160.668,318 2.139,319 27.728,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78,331 507,332 4.674,333 3.562,334 6.841,335 4.202,336 3.255,337 4.627,338 1.656,339 11.398,340 3.085,341 4.173,342 3.349,343 6.112,344 3.778,345 2.802,346 3.792,347 0.86,348 8.949,349 2.734,350 3.977,351 2.917,352 6.099,353 3.61,354 2.681,355 3.479,356 0.8,357 8.833,358 2.543,359 3.904,360 2.803,361 5.568,362 3.592,363 2.643,364 3.306,365 0.8,366 7.635,367 2.446,368 3.757,369 2.57,370 5.323,371 3.366,372 2.401,373 3.138,374 0.247,375 6.925,376 2.313,377 3.406,378 2.543,379 5.143,380 3.137,381 2.218,382 2.655,384 5.939,385 2.037,386 3.268,387 2.406,388 4.679,389 2.949,390 1.977,391 2.33,393 5.114,394 1.922,395 3.109,396 2.309,397 4.65,398 2.864,399 1.925,400 2.177,402 5.069,403 1.785,404 2.968,405 1.894,406 4.411,407 2.453,408 1.509,409 2.148,411 4.256,412 1.425,413 2.843,414 1.535,415 4.332,416 2.381,417 1.478,418 1.974,420 3.881,421 1.325,422 2.728,423 1.519,424 3.762,425 2.315,426 1.374,427 1.798,428 2.995,429 1.286,430 2.5,431 1.322,432 3.569,433 2.078,434 1.163,435 1.5,436 2.9,437 1.058,438 2.5,439 1.256,440 3.431,441 2,442 1,443 1.5,445 2.275,446 1,447 2.471,448 1,449 3.414,450 1.984,451 1,452 1.464,454 2.136,455 0.983,456 2.111,457 1,458 3.247,459 1.952,460 1,461 1.041,463 2.136,464 0.946,465 16.867,466 0.469,467 0.78,468 0.022,469 48.5,470 1.347,471 23,472 0.639,473 25.5,474 0.708,475 30.16,476 0.838,477 38.933,478 0.59,479 39.778,480 1.105,481 9.803,482 0.272,483 7.761,484 0.216,485 0.079,487 0.308,493 0.891,494 1.641,495 0.786,496 1.231,497 0.64,498 1.023,499 1.147,500 0.988,501 0.929,502 0.826,503 0.652,504 0.835,505 1.131,506 1.2,507 1.057,508 1.058,509 0.983,510 1.047,511 0.776,512 1.032,513 0.854,514 0.963,515 0.779,516 0.917,517 1.161,518 0.951,519 0.916,520 0.823,521 1.354,522 0.821,523 1.079,524 1.072,525 1.116,526 1.093,527 1.162,528 1.105,529 0.814,530 0.99,531 1.151,532 1.148,533 0.637,534 1.188,535 0.401,536 1.115,537 0.931,538 1.284,539 0.408,540 1.219,541 6.5,542 0.228,543 3.333,544 1.819,545 1.649,546 1.545,547 0.897,548 0.316,549 0.435,550 0.337,551 20893,552 52848,553 2.137,554 45.5,556 25,557 1,558 2,559 2,564 1.775,565 2.038,566 3.726,567 0.204,573 103.512,574 1.568,575 3.731,576 4.693,577 5.112,578 5.143,579 5.173,580 3.232,581 4.705,582 5.134,583 3.949,584 2487.67,585 9.037,586 40457.1,591 398.93,592 1.256,593 5.118,594 0.162,595 0.007,596 0.061,597 0.033,598 0.031,599 0.027,600 0.016,601 0.006,602 0.01,603 0.009,604 0.361,605 0.33,606 0.75,607 0.873,608 197.704,609 -0.046,610 -0.392,611 0.075,612 -0.16,613 -0.026,614 -0.045,616 0.16,617 0.027,618 0.139,619 0.093,620 0.094,621 -0.121,622 -0.124,623 -0.103,624 -0.066,625 -0.082,626 -0.082,627 0.054,628 -0.029,629 0.121,630 0.014,631 0.091,632 0.07,633 -0.096,634 0.08,635 0.07,636 0.143,637 -0.038,638 0.14,639 -0.098,640 0.035,641 -0.182,642 -0.082,643 -0.083,644 -0.135,645 -0.026,646 0.058,647 -0.217,648 -0.125,649 -0.084,650 -0.186,651 0.241,652 -0.175,653 0.011,654 -0.22,655 0.184,656 -0.161,657 1.986,658 5.331,659 0.75,660 48.065,661 1.003,662 1.136,663 2.608,664 6.799,665 0.657,666 3.714,667 4.025,668 4.29,669 4.585,670 4.852,671 4.984,672 5.198,673 5.375,674 5.485,675 5.62,676 8.258,677 0.627,678 486.64,679 3.714,680 5.252,681 6.098,682 6.974,683 7.843,684 8.731,685 9.613,686 10.508,687 11.4,688 12.3,689 12.1,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 66,733 23,734 1,735 40,737 70,738 26,739 17,740 2,741 4,746 5,747 6,751 1,761 18,762 8,766 1,771 1,775 1,781 30,782 9,783 2,784 10,790 8,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,836 1,839 1,840 4,844 2,848 36,854 6,855 2,856 1,859 2,870 3,873 1,874 1,877 17.667,878 12.367,879 7.889,880 3.835,881 4.003,882 1.476,883 1,884 7.538,885 12.407,886 3.97,887 4.557,888 5.144,889 5.774,890 6.342,891 6.712,892 7.216,893 7.679,894 8.003,895 8.415,896 1,897 55,898 13.288,900 5.57,901 7.634,902 25.612,904 20.769,905 2.134,906 76.833,910 329.591,911 149.795,912 94.526,914 36.145,917 149.795,918 365.736,919 94.526,920 16.793,921 53.629,922 75.381,923 111.759,924 39.843,925 18.375,926 294.278,928 329.591,929 244.321,930 36.145,933 331.919,934 25.145,935 11,937 78.463,938 113.174,939 50.357,941 329.591,942 130.671,943 149.795,946 329.591,947 39.527,948 118.416,949 36.022,950 86.501,951 329.591,952 130.671,953 149.795,955 0.574,956 0.322,957 0.179,958 0.103,959 26,960 11,961 0.1,962 7,963 1,964 1.074,965 4.716,966 347.001,967 0.074,968 27,969 170.117,974 24.348,975 11.145,976 5.91,977 1.966,978 128.772,979 18.487,980 13.888,984 3.817,985 2.184,986 36.022,987 610.057,988 52,993 12.331,997 -0.319,999 66.189,1000 74.972,1001 0.259,1002 0.617,1003 0.776,1004 0.846,1005 0.851,1006 0.856,1007 5.201,1008 1.925,1009 6.066,1010 5.114,1011 4.71,1012 5.244,1013 2.219,1014 6.858,1015 4.601,1016 6.389,1017 1.509,1018 7.604,1019 5.069,1020 4.205,1021 4.987,1022 1.404,1023 7.711,1024 4.049,1025 7.683,1026 1.478,1027 9.244,1028 4.256,1029 6.275,1030 7.432,1031 2.581,1032 10.834,1033 6.064,1034 9.013,1035 1.374,1036 10.946,1037 3.881,1038 6.608,1039 8.06,1040 2.382,1041 12.573,1042 6.353,1043 10.38,1044 1.163,1045 12.69,1046 2.995,1047 8.126,1048 9.966,1049 3.295,1050 15.211,1051 7.819,1052 11.773,1053 1,1054 14.466,1055 2.9,1056 8.866,1057 11.035,1058 3.421,1059 17.33,1060 8.512,1061 13.189,1062 1,1063 16.265,1064 2.275,1065 10.153,1066 12.712,1067 4.17,1068 19.811,1069 9.749,1070 3.255,1071 1,1072 18.082,1073 2.136,1074 11.1,1075 14.01,1076 4.467,1077 22.098,1078 10.646,1079 2.802,1080 11.398,1081 19.913,1082 2.136,1083 12.292,1084 15.589,1085 5.115,1086 24.531,1087 11.788,1088 2.681,1089 8.949,1090 21.757,1091 4.627,1092 13.345,1093 17.003,1094 5.504,1095 26.893,1096 12.788,1097 2.643,1098 8.833,1099 23.611,1100 3.792,1101 14.505,1102 18.544,1103 6.092,1104 29.316,1105 13.897,1106 2.401,1107 7.635,1108 25.474,1109 3.479,1110 15.611,1111 20.016,1112 6.531,1113 31.713,1114 14.949,1115 2.218,1116 6.925,1117 27.343,1118 3.306,1119 16.764,1120 21.545,1121 7.084,1122 34.135,1123 16.049,1124 1.977,1125 5.939,1126 29.219,1127 3.138,1128 17.899,1129 23.045,1130 7.551,1131 36.549,1132 17.129,1133 19585,1134 31361,1135 27.334,1136 43.33,1137 59.839,1138 60.673,1139 60.429,1140 59.594,1141 59.573,1142 77.031,1143 8.726,1144 167.569,1145 56.328,1146 5.674,1147 5.562,1148 6.643,1149 5.306,1150 5.255,1151 7.627,1152 2.912,1153 18.808,1154 5.085,1155 14.542,1156 1.496,1157 1.517,1158 1.511,1159 1.49,1160 1.489,1161 1.926,1162 0.218,1163 4.189,1164 1.408,1165 4.143,1166 4.188,1167 4.115,1168 4.006,1169 7.431,1170 4.027,1171 3.914,1172 3.955,1173 3.861,1174 3.817,1175 5.083,1176 3.821,1177 3.849,1178 3.89,1179 3.79,1180 3.741,1181 4.908,1182 3.749,1183 3.748,1184 3.811,1185 3.634,1186 3.523,1187 4.716,1188 3.54,1189 3.632,1190 3.715,1191 3.491,1192 3.41,1193 4.615,1194 3.417,1195 3.432,1196 3.484,1197 3.379,1198 3.175,1199 4.406,1200 3.217,1201 3.276,1202 3.345,1203 3.193,1204 3.02,1205 4.274,1206 3.054,1207 3.111,1208 3.206,1209 2.944,1210 2.941,1211 4.076,1212 2.91,1213 0.117,1214 0.089,1215 0.171,1216 0.105,1217 0.081,1218 4.674,1219 0.116,1220 3.562,1221 0.041,1222 6.841,1223 0.285,1224 4.202,1225 0.077,1226 3.255,1227 4.627,1228 1.656,1229 11.398,1230 3.085,1231 1.952,1232 1.921,1233 2.031,1234 2.091,1235 1.227,1236 2.07,1237 1.827,1238 1.786,1239 1.943,1240 1.993,1241 1.169,1242 1.98,1243 1.793,1244 1.754,1245 1.926,1246 1.943,1247 1.102,1248 1.941,1249 1.697,1250 1.624,1251 1.916,1252 1.936,1253 0.948,1254 1.937,1255 1.578,1256 1.528,1257 1.731,1258 1.786,1259 0.881,1260 1.773,1261 1.439,1262 1.357,1263 1.681,1264 1.678,1265 0.825,1266 1.683,1267 1.252,1268 1.204,1269 1.513,1270 1.557,1271 0.776,1272 1.508,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.492,1278 1.429,1279 4.394,1281 5.707,1282 2.398,1283 7.21,1284 4.727,1285 8.802,1286 6.843,1287 10.445,1289 4.135,1295 4.713,1296 5.639,1297 5.562,1300 4.431,1305 41.396,1306 103.512,1307 246.246,1308 309.769,1309 337.42,1310 339.42,1311 341.42,1312 52.6,1313 8.404,1314 100.44,1315 100.44,1316 29,1317 12.824,1318 4.585,1319 3.7,1320 54.462,1321 173,1322 204,1323 0.148,1324 253.35,1325 429.5,1326 609.934,1327 57473,1329 24.907,1330 0.692,1331 0.57,1332 24.907,1333 20.516,1334 17.564,1335 0.439,1336 0.3,1337 11.765,1338 16.71,1339 11.482,1340 9.517,1341 17.564,1342 11.994,1343 15.791,1344 0.287,1345 0.162,1346 15.791,1347 8.912,1348 12.85,1349 0.178,1350 0.084,1351 12.85,1352 6.037,1353 11.001,1354 0.113,1355 0.042,1356 11.001,1357 4.114,1358 9.185,1359 0.072,1360 0.022,1361 9.185,1362 2.848,1363 0.235,1364 111.024,1365 0.191,1366 33.231,1367 0.398,1368 190,1369 548.007,1370 211.273,1371 528.131,1372 730.39,1373 498,1374 222,1375 542.921,1376 244.276,1377 550.482,1378 805.63,1379 516,1380 8.097}
{0 CHEMBL1092914,1 1.603,2 13.571,3 2.169,4 4.705,5 127.835,6 7.431,7 0.462,8 4.272,9 4.396,10 3.842,11 3.747,12 5.34,13 3.748,14 4.839,15 5.017,16 4.188,17 4.137,18 5.898,19 4.111,20 5.092,21 5.316,22 4.225,23 4.282,24 6.053,25 4.223,26 5.116,27 5.366,28 4.186,29 4.238,30 6.11,31 4.174,32 5.048,33 5.287,34 4.211,35 4.205,36 6.154,37 4.165,38 4.957,39 5.155,40 4.199,41 4.267,42 5.958,43 4.214,44 5.078,45 5.278,46 4.205,47 4.395,48 6.015,49 4.303,50 5.278,51 5.523,52 4.137,53 4.458,54 6.142,55 4.304,56 0.057,57 1.001,58 13.343,59 5.345,60 8.823,61 7.312,62 0.538,63 1.575,64 26.797,65 9.159,66 43.137,67 12.587,68 0.578,69 1.902,70 36.487,71 11.076,72 49.166,73 16.452,74 0.537,75 1.911,76 38.29,77 10.671,78 57.561,79 16.72,80 0.826,81 1.809,82 35.829,83 9.273,84 81.345,85 14.476,86 0.393,87 1.774,88 30.055,89 10.345,90 38.856,91 14.758,92 0.47,93 1.959,94 33.712,95 12.643,96 42.477,97 17.947,98 0.468,99 2.114,100 44.026,101 17.607,102 62.118,103 25.004,104 5,105 53,106 0.255,107 0.586,108 0.773,109 0.846,110 0.858,111 0.858,112 3.588,113 0.917,114 -4.11,115 -4.06,116 -3.84,119 39.1,120 1,121 2,122 1,125 5,127 1,142 6,143 1,144 2,145 2,149 2,150 1,159 1,172 7,174 5,175 8,178 2,179 1,180 3,183 5,186 1,187 11,190 1,192 3,195 2,198 1,199 13,204 4,207 1,211 5,212 11,215 1,217 3,220 4,224 6,227 2,229 1,232 10,236 3,237 5,245 12,249 2,250 8,253 4,255 1,258 5,263 6,268 2,271 1,275 2493,276 24.154,277 24.154,278 24.154,279 24.154,280 24.154,281 21.94,282 32.923,283 14.618,284 24.885,285 19.33,286 19.33,287 19.33,288 19.33,289 19.33,290 15.954,291 47.331,292 7.039,293 20.487,294 4.397,295 2.316,296 1.141,297 0.68,298 0.606,299 0.606,300 4.299,304 1,305 1,306 1047,307 3.082,311 616.371,318 2.147,319 33.795,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 76.5,331 475,332 4.405,333 3.562,334 6.515,335 4.039,336 3.107,337 4.053,338 1.656,339 10.262,340 2.911,341 4.09,342 3.317,343 6.212,344 3.785,345 2.836,346 3.606,347 0.86,348 9.243,349 2.696,350 3.963,351 3.068,352 6.022,353 3.712,354 2.741,355 3.471,356 0.86,357 8.656,358 2.645,359 3.882,360 2.808,361 5.568,362 3.601,363 2.635,364 3.079,365 0.8,366 7.634,367 2.535,368 3.731,369 2.553,370 5.326,371 3.371,372 2.407,373 3.023,374 0.247,375 6.931,376 2.317,377 3.411,378 2.458,379 5.085,380 3.036,381 2.087,382 2.634,384 5.905,385 1.98,386 3.232,387 2.312,388 4.666,389 2.892,390 1.915,391 2.349,393 5.065,394 1.851,395 2.913,396 2.269,397 4.478,398 2.647,399 1.745,400 2.011,402 4.461,403 1.572,404 2.853,405 1.836,406 4.203,407 2.371,408 1.423,409 1.961,411 3.733,412 1.346,413 2.737,414 1.562,415 3.87,416 2.333,417 1.414,418 1.814,420 3.089,421 1.295,422 2.5,423 1.519,424 3.581,425 2.276,426 1.338,427 1.5,428 2.985,429 1.241,430 2.5,431 1.274,432 3.569,433 2,434 1.08,435 1.5,436 2.727,437 1,438 2.414,439 1.2,440 3.488,441 1.978,442 1,443 1.414,445 2.54,446 0.963,447 2.219,448 1.194,449 3.414,450 1.969,451 1,452 1.201,454 2.275,455 0.961,456 2.152,457 1,458 3.247,459 1.956,460 1,461 1.119,463 2.136,464 0.953,465 16.3,466 0.466,467 0.691,468 0.02,469 45.5,470 1.3,471 21,472 0.6,473 24.5,474 0.7,475 31.303,476 0.894,477 38.3,478 0.598,479 35.563,480 1.016,481 8.735,482 0.25,483 8.418,484 0.241,485 0.051,487 0.301,493 0.86,494 1.553,495 0.773,496 1.234,497 0.648,498 1.02,499 1.054,500 1.063,501 0.947,502 1.008,503 0.694,504 0.979,505 1.113,506 1.145,507 1.015,508 0.987,509 0.946,510 0.982,511 1.02,512 1.151,513 0.961,514 0.96,515 0.929,516 0.935,517 1.117,518 0.842,519 0.999,520 0.718,521 1.436,522 0.794,523 0.967,524 1.084,525 1.039,526 1.057,527 1.066,528 1.048,529 0.732,530 1.078,531 1.156,532 1.216,533 0.688,534 1.246,535 0.425,536 1.073,537 0.993,538 1.358,539 0.401,540 1.304,541 6,542 0.14,543 3.111,544 1.813,545 1.32,546 1.458,547 0.85,548 0.304,549 0.294,550 0.306,551 19677,552 51027,553 2.158,554 45.3,556 17,558 2,559 2,560 1,561 7,564 1.768,565 2.079,566 3.66,567 0.219,569 1,573 102.616,574 1.603,575 3.684,576 4.859,577 5.32,578 5.394,579 5.394,580 3.053,581 4.729,582 5.096,583 3.897,584 2318.63,585 8.956,586 37025.1,591 384,592 1.15,593 5.086,594 0.154,595 0.005,596 0.059,597 0.034,598 0.026,599 0.028,600 0.016,601 0.006,602 0.006,603 0.009,604 0.342,605 0.33,606 0.63,607 0.383,608 190.471,609 -0.052,610 -0.304,611 0.07,612 -0.131,613 -0.017,614 -0.026,615 0.058,616 0.06,617 -0.006,618 0.004,619 0.092,620 -0.024,621 -0.119,622 -0.102,623 -0.046,624 -0.009,625 -0.065,626 -0.016,627 -0.106,628 -0.127,629 0.025,630 -0.02,631 -0.001,632 0.023,633 -0.028,634 0.233,636 0.188,637 -0.042,638 0.122,639 -0.126,640 0.041,641 -0.124,642 -0.034,643 -0.098,644 -0.067,645 -0.029,646 0.029,647 -0.263,648 -0.158,649 -0.07,650 -0.233,651 0.187,652 -0.136,653 -0.065,654 -0.274,655 0.148,656 -0.23,657 2.003,658 5.298,659 0.857,660 43.149,661 1.006,662 1.136,663 2.882,664 8.304,665 0.653,666 3.689,667 3.989,668 4.248,669 4.511,670 4.762,671 4.82,672 5.024,673 5.176,674 5.293,675 5.425,676 8.065,677 0.626,678 475.61,679 3.689,680 5.22,681 6.061,682 6.927,683 7.783,684 8.655,685 9.519,686 10.396,687 11.266,688 12.146,689 10.9,695 1,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 1,731 64,733 19,734 1,735 39,737 68,738 25,739 14,740 2,741 4,746 5,747 5,751 1,752 1,755 3,756 1,758 3,761 15,762 10,763 1,766 1,771 1,775 1,781 29,782 10,783 2,784 10,790 7,794 1,795 3,805 1,812 5,839 2,840 5,844 1,848 35,854 7,855 2,856 2,858 2,859 1,870 4.7,873 1,874 2,877 16.833,878 11.583,879 7.694,880 3.949,881 3.161,882 1.389,883 0.978,884 7.479,885 11.287,886 3.912,887 4.437,888 4.947,889 5.503,890 6.048,891 6.261,892 6.705,893 7.086,894 7.389,895 7.753,896 0.889,897 54,898 12.96,900 5.499,901 7.667,902 24.962,904 20.526,905 2.167,906 75.833,910 317.82,911 128.852,912 106.288,914 47.145,917 128.852,918 364.964,919 106.288,920 8.825,921 61.566,922 56.857,923 137.829,924 34.574,925 6.175,926 294.278,928 317.82,929 235.14,930 47.145,933 240.078,934 107.543,935 22,937 90.385,938 72.957,939 67.142,941 317.82,942 153.433,943 128.852,946 317.82,947 45.074,948 86.902,949 36.022,950 114.287,951 317.82,952 153.433,953 128.852,955 0.573,956 0.329,957 0.182,958 0.101,959 25,960 10,961 0.074,962 5,964 1,965 4.666,966 332.416,968 30,969 171.525,974 23.617,975 11.083,976 5.936,978 153.433,979 14.289,980 18.554,984 4.27,986 36.022,987 600.104,988 49,993 12.298,997 -0.337,999 64.414,1000 72.684,1001 0.267,1002 0.614,1003 0.81,1004 0.887,1005 0.899,1006 0.899,1007 5.145,1008 1.745,1009 6.019,1010 5.065,1011 4.673,1012 5.124,1013 2.274,1014 6.788,1015 4.564,1016 6.302,1017 1.423,1018 7.544,1019 4.461,1020 4.111,1021 4.718,1022 1.305,1023 7.573,1024 3.98,1025 7.575,1026 1.414,1027 9.169,1028 3.733,1029 6.221,1030 7.181,1031 2.627,1032 10.678,1033 6.011,1034 8.877,1035 1.338,1036 10.854,1037 3.089,1038 6.494,1039 7.579,1040 2.354,1041 12.313,1042 6.254,1043 10.213,1044 1.08,1045 12.58,1046 2.985,1047 8.038,1048 9.521,1049 3.315,1050 14.903,1051 7.727,1052 11.57,1053 1,1054 14.333,1055 2.727,1056 8.717,1057 10.32,1058 3.414,1059 16.897,1060 8.363,1061 12.944,1062 1,1063 16.106,1064 2.54,1065 10.007,1066 12.013,1067 4.177,1068 19.299,1069 9.589,1070 3.107,1071 1,1072 17.894,1073 2.275,1074 10.893,1075 13.039,1076 4.466,1077 21.455,1078 10.42,1079 2.836,1080 10.262,1081 19.693,1082 2.136,1083 12.069,1084 14.596,1085 5.117,1086 23.787,1087 11.534,1088 2.741,1089 9.243,1090 21.501,1091 4.053,1092 13.06,1093 15.76,1094 5.504,1095 26.018,1096 12.463,1097 2.635,1098 8.656,1099 23.316,1100 3.606,1101 14.187,1102 17.24,1103 6.093,1104 28.327,1105 13.528,1106 2.407,1107 7.634,1108 25.137,1109 3.471,1110 15.232,1111 18.489,1112 6.531,1113 30.596,1114 14.508,1115 2.087,1116 6.931,1117 26.963,1118 3.079,1119 16.341,1120 19.926,1121 7.084,1122 32.899,1123 15.553,1124 1.915,1125 5.905,1126 28.794,1127 3.023,1128 17.416,1129 21.23,1130 7.551,1131 35.187,1132 16.56,1133 18263,1134 29589,1135 26.929,1136 41.779,1137 57.969,1138 59.092,1139 58.41,1140 57.584,1141 57.621,1142 71.669,1143 8.846,1144 160,1145 54.447,1146 5.405,1147 5.562,1148 6.317,1149 5.143,1150 5.107,1151 7.053,1152 2.912,1153 17.086,1154 4.911,1155 11.284,1156 1.486,1157 1.515,1158 1.498,1159 1.477,1160 1.477,1161 1.838,1162 0.227,1163 4.103,1164 1.396,1165 4.023,1166 4.069,1167 3.98,1168 3.901,1169 7.431,1170 3.912,1171 3.877,1172 3.926,1173 3.821,1174 3.74,1175 5.071,1176 3.751,1177 3.84,1178 3.88,1179 3.767,1180 3.719,1181 4.907,1182 3.725,1183 3.784,1184 3.835,1185 3.664,1186 3.597,1187 4.699,1188 3.607,1189 3.563,1190 3.619,1191 3.489,1192 3.334,1193 4.614,1194 3.367,1195 3.382,1196 3.428,1197 3.327,1198 3.101,1199 4.59,1200 3.149,1201 3.264,1202 3.351,1203 3.037,1204 3.081,1205 4.074,1206 3.063,1207 3.111,1208 3.206,1209 2.878,1210 2.941,1211 4.026,1212 2.91,1213 0.113,1214 0.091,1215 0.167,1216 0.104,1217 0.08,1218 4.405,1219 0.104,1220 3.562,1221 0.042,1222 6.515,1223 0.263,1224 4.039,1225 0.075,1226 3.107,1227 4.053,1228 1.656,1229 10.262,1230 2.911,1231 1.94,1232 1.908,1233 2.043,1234 2.09,1235 1.369,1236 2.073,1237 1.83,1238 1.787,1239 1.988,1240 1.998,1241 1.242,1242 1.99,1243 1.809,1244 1.768,1245 1.953,1246 1.957,1247 1.1,1248 1.96,1249 1.741,1250 1.686,1251 1.931,1252 1.945,1253 0.944,1254 1.948,1255 1.455,1256 1.4,1257 1.64,1258 1.712,1259 0.894,1260 1.674,1261 1.292,1262 1.21,1263 1.543,1264 1.543,1265 0.825,1266 1.563,1267 1.232,1268 1.184,1269 1.513,1270 1.518,1271 0.577,1272 1.495,1273 1.153,1274 1.064,1275 1.37,1276 1.376,1277 0.456,1278 1.429,1279 4.369,1281 5.673,1283 7.177,1285 8.766,1287 10.398,1289 2.119,1295 5.279,1296 5.591,1297 11.146,1299 0.434,1300 2.191,1305 40.089,1306 102.616,1307 235.78,1308 310.98,1309 340.49,1310 345.245,1311 345.245,1312 56.201,1313 8.126,1314 114.39,1315 114.39,1316 30,1317 12.684,1318 4.322,1319 3.459,1320 52.201,1321 165,1322 193,1323 0.148,1324 243.887,1325 423.53,1326 586.844,1327 40831,1329 24.037,1330 0.687,1331 0.562,1332 24.037,1333 19.684,1334 17.153,1335 0.44,1336 0.306,1337 11.706,1338 16.32,1339 11.5,1340 9.461,1341 17.153,1342 11.921,1343 15.172,1344 0.286,1345 0.165,1346 15.172,1347 8.719,1348 12.671,1349 0.184,1350 0.089,1351 12.671,1352 6.172,1353 10.778,1354 0.12,1355 0.047,1356 10.778,1357 4.234,1358 8.864,1359 0.076,1360 0.024,1361 8.864,1362 2.819,1363 0.236,1364 108.574,1365 0.193,1366 32.483,1367 0.398,1368 184,1369 554.098,1370 206.819,1371 524.998,1372 721.06,1373 496,1374 214,1375 529.149,1376 236.601,1377 530.753,1378 778.6,1379 500,1380 6.227}
{0 CHEMBL1093068,1 1.596,2 13.171,3 2.378,4 5.655,5 132.613,6 7.638,7 0.4,8 4.257,9 4.37,10 3.856,11 3.766,12 5.33,13 3.77,14 4.836,15 5.001,16 4.269,17 4.196,18 5.9,19 4.187,20 5.088,21 5.283,22 4.299,23 4.328,24 6.139,25 4.285,26 5.087,27 5.305,28 4.229,29 4.322,30 6.107,31 4.256,32 5.033,33 5.226,34 4.25,35 4.301,36 6.124,37 4.247,38 5.079,39 5.278,40 4.278,41 4.321,42 6.126,43 4.269,44 5.073,45 5.267,46 4.292,47 4.279,48 6.264,49 4.228,50 5.057,51 5.285,52 4.03,53 4.19,54 6.034,55 4.104,56 0.069,57 0.951,58 12.36,59 5.458,60 8.941,61 6.968,62 0.411,63 1.571,64 25.237,65 9.347,66 31.302,67 12.27,68 0.691,69 1.868,70 35.322,71 12.107,72 60.03,73 16.149,74 0.516,75 1.877,76 35.583,77 12.66,78 52.664,79 17.329,80 0.549,81 1.774,82 32.753,83 12.077,84 58.427,85 16.143,86 0.574,87 1.844,88 34.632,89 12.432,90 50.746,91 16.729,92 0.834,93 1.788,94 34.792,95 12.397,96 91.399,97 16.84,98 0.591,99 1.68,100 36.268,101 12.343,102 64.762,103 16.684,104 21,105 59,106 0.254,107 0.641,108 0.822,109 0.856,110 0.856,111 0.856,112 3.589,113 0.898,114 -2.75,115 -2.76,116 -2.68,119 41.9,120 1,121 2,124 1,125 3,127 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,159 1,161 1,172 5,174 1,175 12,178 2,179 1,180 3,183 4,186 2,187 10,192 2,195 4,198 2,199 9,204 3,207 4,211 1,212 6,215 2,217 2,220 8,223 3,224 3,229 1,232 7,236 6,237 10,240 2,242 1,245 6,250 6,255 2,258 2,262 1,263 7,266 1,268 1,271 1,275 2237,276 23.936,277 23.936,278 23.936,279 23.936,280 23.936,281 21.651,282 32.506,283 13.857,284 24.53,285 19.764,286 19.764,287 19.764,288 19.764,289 19.764,290 16.044,291 43.001,292 6.574,293 20.708,294 4.358,295 1.927,296 0.791,297 0.573,298 0.573,299 0.573,300 4.306,305 1,306 1038,307 3.674,310 220.035,311 268.48,312 102.312,314 272.376,318 2.119,319 36.975,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 76.5,331 461,332 4.737,333 3.731,334 7,335 4.286,336 3.32,337 4.707,338 1.656,339 11.961,340 3.215,341 4.514,342 3.543,343 6.695,344 4.152,345 3.173,346 4.126,347 0.86,348 10.803,349 3.105,350 3.988,351 3.417,352 6.134,353 3.817,354 2.886,355 3.34,356 0.86,357 9.065,358 2.679,359 3.917,360 3.168,361 5.674,362 3.549,363 2.582,364 3.272,365 0.8,366 7.647,367 2.489,368 3.66,369 2.774,370 5.626,371 3.371,372 2.439,373 2.953,374 0.247,375 7.612,376 2.275,377 3.643,378 2.711,379 5.413,380 3.236,381 2.263,382 2.765,384 6.951,385 2.187,386 3.409,387 2.494,388 5.276,389 3,390 2.021,391 2.682,393 6.098,394 1.969,395 3.24,396 2.214,397 4.879,398 2.839,399 1.879,400 2.458,402 5.638,403 1.794,404 3.033,405 2.093,406 4.861,407 2.83,408 1.857,409 2.176,411 5.373,412 1.791,413 2.931,414 1.927,415 4.785,416 2.621,417 1.692,418 2.012,420 5.038,421 1.568,422 2.879,423 1.804,424 4.688,425 2.564,426 1.613,427 1.879,428 4.738,429 1.522,430 2.669,431 1.511,432 4.131,433 2.181,434 1.208,435 1.741,436 3.221,437 1.173,438 2.421,439 1.335,440 3.727,441 1.997,442 1.048,443 1.329,445 2.711,446 0.991,447 2.285,448 1.244,449 3.518,450 1.991,451 1.024,452 1.148,454 2.005,455 0.984,456 2.123,457 1.127,458 3.273,459 1.799,460 0.792,461 1.069,463 1.692,464 0.787,465 16.333,466 0.467,467 0.934,468 0.027,469 44.5,470 1.271,471 20,472 0.571,473 24.5,474 0.7,475 32.167,476 0.919,477 37.667,478 0.608,479 36.832,480 1.052,481 8.527,482 0.244,483 8.468,484 0.242,485 0.102,487 0.416,493 0.8,494 1.426,495 0.737,496 1.135,497 0.573,498 0.952,499 0.931,500 1.026,501 0.821,502 0.935,503 0.556,504 0.859,505 1.148,506 1.041,507 0.997,508 0.937,509 0.859,510 0.937,511 0.917,512 0.963,513 0.947,514 0.97,515 0.924,516 0.959,517 0.952,518 1.046,519 0.963,520 1.036,521 1.173,522 1.009,523 0.975,524 1.049,525 0.97,526 1.046,527 1.026,528 1.011,529 0.779,530 1.1,531 0.906,532 1.091,533 0.661,534 1.041,535 1.202,536 0.976,537 1.07,538 1.003,539 1.105,540 1.015,541 7.5,542 0.212,543 3.556,544 3.59,545 1.453,546 1.362,547 0.874,548 0.791,549 0.421,550 0.274,551 18871,552 47531,553 2.173,554 43.5,556 16,557 1,558 1,559 2,561 7,564 1.769,565 2.039,566 3.633,567 0.191,573 98.957,574 1.596,575 4.027,576 5.164,577 5.381,578 5.381,579 5.381,580 3.144,581 4.844,582 5.097,583 3.823,584 2274.95,585 8.96,586 34638.7,591 369.16,592 1.392,593 5.065,594 0.188,595 0.007,596 0.06,597 0.061,598 0.026,599 0.024,600 0.015,601 0.014,602 0.01,603 0.007,604 0.413,605 0.33,606 0.75,607 1.09,608 188.151,609 -0.052,610 -0.226,611 0.071,612 -0.082,613 -0.036,614 0.002,615 0.016,616 0.101,617 0.082,618 0.058,619 0.078,620 0.082,621 -0.08,622 -0.015,623 -0.033,624 0.049,625 0.004,626 0.023,627 -0.063,628 0.055,629 0.007,630 0.023,631 0.001,632 0.031,633 -0.006,634 -0.02,635 -0.022,636 -0.027,637 -0.062,638 -0.028,639 -0.009,640 -0.026,641 -0.019,642 -0.049,643 -0.06,644 -0.036,645 0.278,646 -0.099,647 0.062,648 -0.095,649 0.289,650 -0.068,651 -0.153,652 -0.037,653 -0.066,654 -0.013,655 -0.092,656 -0.021,657 1.984,658 6.218,659 0.743,660 38.069,661 1.009,662 1.127,663 1.519,664 2.307,665 0.665,666 3.714,667 4.094,668 4.431,669 4.787,670 5.03,671 5.198,672 5.425,673 5.613,674 5.759,675 5.908,676 7.542,677 0.641,678 473.58,679 3.714,680 5.293,681 6.18,682 7.096,683 8.001,684 8.922,685 9.836,686 10.76,687 11.679,688 12.604,689 8.1,695 1,696 2,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,729 1,731 62,733 19,734 1,735 40,737 67,738 26,739 13,740 3,741 3,742 3,746 6,747 9,751 1,752 1,755 4,758 4,761 17,762 9,766 3,771 2,773 1,775 3,781 27,782 8,783 2,784 9,790 5,794 0.5,795 4,801 1,805 1,807 1,811 3,812 3,813 1,815 2,831 2,839 1,840 3,844 2,848 35,854 5,855 2,856 2,858 2,859 1,870 6.5,873 2,874 1,875 1,877 17.167,878 11.767,879 7.472,880 3.954,881 4.124,882 1.453,883 1.026,884 5.694,885 13.231,886 3.951,887 4.572,888 5.198,889 5.84,890 6.393,891 6.793,892 7.29,893 7.741,894 8.084,895 8.517,896 0.889,897 59,898 13.026,900 5.782,901 7.724,902 25.006,904 21.485,905 2.224,906 77.833,910 294.278,911 130.153,912 57.83,914 72.29,917 130.153,918 366.567,919 57.83,920 17.222,921 47.408,922 56.429,923 101.939,924 44.772,925 16.047,926 270.735,928 294.278,929 187.983,930 72.29,933 211.88,934 143.687,935 11,937 68.895,938 87.583,939 31.505,941 294.278,942 130.12,943 130.153,946 294.278,947 47.455,948 87.721,949 36.022,950 89.075,951 294.278,952 130.12,953 130.153,955 0.59,956 0.352,957 0.202,958 0.107,959 32,960 14,961 0.06,962 4,963 4,964 1.269,965 4.535,966 359.52,967 0.308,968 25,969 170.77,974 22.439,975 8.882,976 4.066,977 1.847,978 128.221,979 10.924,980 4.602,984 3.409,985 1.973,986 36.022,987 554.551,988 51,993 25.081,995 1.793,997 -0.284,999 62.538,1000 69.896,1001 0.268,1002 0.676,1003 0.867,1004 0.904,1005 0.904,1006 0.904,1007 5.236,1008 1.879,1009 6.188,1010 6.098,1011 4.779,1012 5.26,1013 2.274,1014 7.057,1015 4.692,1016 6.452,1017 1.857,1018 7.778,1019 5.638,1020 4.443,1021 5.173,1022 1.305,1023 8.021,1024 4.326,1025 7.779,1026 1.692,1027 9.464,1028 5.373,1029 6.428,1030 7.482,1031 2.627,1032 11.175,1033 6.263,1034 9.141,1035 1.613,1036 11.206,1037 5.038,1038 6.909,1039 8.252,1040 2.354,1041 12.995,1042 6.719,1043 10.537,1044 1.208,1045 12.986,1046 4.738,1047 8.375,1048 10.068,1049 3.315,1050 15.672,1051 8.145,1052 11.959,1053 1.048,1054 14.794,1055 3.221,1056 9.235,1057 11.247,1058 3.414,1059 17.864,1060 8.981,1061 13.402,1062 1.024,1063 16.622,1064 2.711,1065 10.505,1066 12.879,1067 4.177,1068 20.385,1069 10.218,1070 3.32,1071 0.792,1072 18.467,1073 2.005,1074 11.539,1075 14.25,1076 4.466,1077 22.733,1078 11.228,1079 3.173,1080 11.961,1081 20.327,1082 1.692,1083 12.738,1084 15.814,1085 5.117,1086 25.206,1087 12.398,1088 2.886,1089 10.803,1090 22.198,1091 4.707,1092 13.849,1093 17.274,1094 5.504,1095 27.619,1096 13.485,1097 2.582,1098 9.065,1099 24.079,1100 4.126,1101 15.027,1102 18.815,1103 6.093,1104 30.08,1105 14.635,1106 2.439,1107 7.647,1108 25.968,1109 3.34,1110 16.173,1111 20.316,1112 6.531,1113 32.521,1114 15.755,1115 2.263,1116 7.612,1117 27.864,1118 3.272,1119 17.346,1120 21.851,1121 7.084,1122 34.981,1123 16.902,1124 2.021,1125 6.951,1126 29.767,1127 2.953,1128 18.508,1129 23.372,1130 7.551,1131 37.435,1132 18.038,1133 17359,1134 27713,1135 27.164,1136 41.222,1137 62.095,1138 63.999,1139 63.375,1140 61.31,1141 61.28,1142 77.121,1143 8.846,1144 185.261,1145 58.616,1146 5.737,1147 5.731,1148 6.772,1149 5.393,1150 5.32,1151 7.707,1152 2.912,1153 19.399,1154 5.215,1155 16.101,1156 1.552,1157 1.6,1158 1.584,1159 1.533,1160 1.532,1161 1.928,1162 0.221,1163 4.632,1164 1.465,1165 4.16,1166 4.195,1167 4.131,1168 4.047,1169 7.432,1170 4.064,1171 3.981,1172 3.997,1173 3.95,1174 3.885,1175 7.427,1176 3.897,1177 3.898,1178 3.942,1179 3.798,1180 3.733,1181 5.03,1182 3.741,1183 3.648,1184 3.71,1185 3.572,1186 3.425,1187 4.849,1188 3.447,1189 3.502,1190 3.55,1191 3.409,1192 3.357,1193 4.666,1194 3.36,1195 3.426,1196 3.485,1197 3.323,1198 3.243,1199 4.441,1200 3.255,1201 3.22,1202 3.282,1203 3.078,1204 2.982,1205 4.307,1206 3.002,1207 3.158,1208 3.246,1209 3.018,1210 2.951,1211 4.2,1212 2.945,1213 0.118,1214 0.093,1215 0.175,1216 0.107,1217 0.083,1218 4.737,1219 0.118,1220 3.731,1221 0.041,1222 7,1223 0.299,1224 4.286,1225 0.08,1226 3.32,1227 4.707,1228 1.656,1229 11.961,1230 3.215,1231 1.917,1232 1.889,1233 1.99,1234 2.053,1235 1.255,1236 2.036,1237 1.879,1238 1.859,1239 1.963,1240 1.987,1241 1.248,1242 1.978,1243 1.652,1244 1.614,1245 1.86,1246 1.867,1247 1.087,1248 1.851,1249 1.605,1250 1.554,1251 1.841,1252 1.812,1253 1.024,1254 1.82,1255 1.604,1256 1.543,1257 1.804,1258 1.791,1259 0.988,1260 1.798,1261 1.555,1262 1.476,1263 1.776,1264 1.76,1265 0.886,1266 1.786,1267 1.361,1268 1.32,1269 1.553,1270 1.569,1271 0.615,1272 1.558,1273 1.161,1274 1.111,1275 1.339,1276 1.467,1277 0.496,1278 1.44,1279 4.394,1281 5.759,1282 3.434,1283 7.307,1284 5.9,1285 8.944,1286 8.05,1287 10.632,1289 3.795,1295 4.405,1296 5.414,1297 11.97,1299 0.526,1300 2.378,1305 39.761,1306 98.957,1307 249.695,1308 320.141,1309 333.65,1310 333.65,1311 333.65,1312 59.673,1313 9.107,1314 101.63,1315 101.63,1316 33,1317 13.11,1318 4.322,1319 3.585,1320 47.06,1321 157,1322 199,1323 0.145,1324 236.493,1325 415.26,1326 568.804,1327 136119,1329 24.104,1330 0.689,1331 0.563,1332 24.104,1333 19.706,1334 16.996,1335 0.425,1336 0.299,1337 11.774,1338 16.217,1339 11.531,1340 9.473,1341 16.996,1342 11.975,1343 15.909,1344 0.27,1345 0.156,1346 15.909,1347 9.222,1348 13.845,1349 0.167,1350 0.082,1351 13.845,1352 6.798,1353 12.519,1354 0.105,1355 0.044,1356 12.519,1357 5.248,1358 10.077,1359 0.066,1360 0.024,1361 10.077,1362 3.603,1363 0.228,1364 107.312,1365 0.192,1366 31.993,1367 0.399,1368 198,1369 576.543,1370 220.946,1371 546.102,1372 759.16,1373 514,1374 241,1375 575.042,1376 265.169,1377 574.521,1378 856.06,1379 543,1380 6.507}
{0 CHEMBL1093069,1 1.615,2 12.471,3 2.029,4 4.118,5 127.865,6 7.789,7 0.41,8 4.216,9 4.326,10 3.831,11 3.725,12 5.307,13 3.734,14 4.79,15 4.951,16 4.248,17 4.159,18 5.87,19 4.157,20 5.032,21 5.215,22 4.28,23 4.295,24 6.115,25 4.257,26 5.052,27 5.267,28 4.191,29 4.292,30 6.07,31 4.226,32 4.985,33 5.178,34 4.226,35 4.272,36 6.058,37 4.217,38 5.044,39 5.239,40 4.249,41 4.283,42 6.106,43 4.233,44 5.035,45 5.234,46 4.258,47 4.222,48 6.234,49 4.176,50 4.983,51 5.204,52 3.986,53 4.117,54 5.997,55 4.042,56 0.082,57 0.912,58 11.368,59 5.123,60 9.396,61 6.405,62 0.435,63 1.505,64 23.482,65 8.765,66 31.47,67 11.243,68 0.673,69 1.781,70 32.31,71 11.58,72 58.157,73 14.984,74 0.564,75 1.817,76 33.979,77 12.147,78 55.871,79 16.36,80 0.489,81 1.705,82 30.476,83 11.841,84 47.407,85 15.803,86 0.593,87 1.784,88 32.796,89 11.893,90 51.745,91 15.747,92 0.864,93 1.71,94 33.558,95 11.806,96 91.437,97 15.965,98 0.605,99 1.567,100 33.298,101 11.303,102 64.599,103 14.952,104 20,105 58,106 0.259,107 0.651,108 0.815,109 0.853,110 0.853,111 0.853,112 3.561,113 0.878,114 -2.54,115 -2.57,116 -2.51,119 42.4,121 2,124 2,125 2,127 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,159 1,161 1,172 5,174 1,175 12,178 2,179 1,180 2,183 4,186 2,187 10,192 2,195 4,198 2,199 8,204 2,207 4,211 1,212 6,215 2,217 2,220 8,223 3,224 3,229 1,232 5,236 6,237 10,240 2,242 1,245 4,250 6,255 2,258 2,262 1,263 5,266 1,268 1,271 1,275 2056,276 23.229,277 23.229,278 23.229,279 23.229,280 23.229,281 20.944,282 30.925,283 13.258,284 23.804,285 19.226,286 19.226,287 19.226,288 19.226,289 19.226,290 15.484,291 40.501,292 6.29,293 20.133,294 4.268,295 1.825,296 0.805,297 0.568,298 0.568,299 0.568,300 4.278,304 1,305 1,306 957,307 3.536,310 209.986,311 256.965,312 98.045,314 260.137,318 1.941,319 35.863,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 74.5,331 424,332 4.737,333 3.731,334 7,335 4.286,336 3.32,337 4.707,338 1.656,339 11.961,340 3.215,341 4.514,342 3.538,343 6.695,344 4.152,345 3.173,346 4.126,347 0.86,348 10.803,349 3.105,350 3.988,351 3.417,352 6.134,353 3.817,354 2.886,355 3.339,356 0.86,357 9.065,358 2.679,359 3.915,360 3.168,361 5.673,362 3.543,363 2.575,364 3.272,365 0.8,366 7.638,367 2.484,368 3.654,369 2.774,370 5.626,371 3.371,372 2.439,373 2.949,374 0.247,375 7.612,376 2.274,377 3.642,378 2.711,379 5.409,380 3.225,381 2.252,382 2.764,384 6.927,385 2.177,386 3.403,387 2.493,388 5.273,389 2.988,390 2.004,391 2.675,393 6.086,394 1.96,395 3.235,396 2.213,397 4.879,398 2.839,399 1.879,400 2.45,402 5.638,403 1.794,404 3.033,405 2.093,406 4.858,407 2.82,408 1.846,409 2.176,411 5.245,412 1.782,413 2.931,414 1.927,415 4.761,416 2.621,417 1.692,418 2.012,420 5.015,421 1.568,422 2.879,423 1.804,424 4.673,425 2.562,426 1.61,427 1.879,428 4.719,429 1.521,430 2.669,431 1.335,432 4.131,433 2.181,434 1.208,435 1.741,436 3.221,437 1.173,438 2.421,439 1.244,440 3.727,441 1.996,442 1.046,443 1.329,445 2.711,446 0.99,447 2.284,448 1.128,449 3.518,450 1.804,451 0.802,452 1.139,454 1.993,455 0.793,456 1.697,457 1.1,458 3.273,459 1.608,460 0.684,461 0.691,463 1.674,464 0.625,465 15.833,466 0.466,467 0.934,468 0.027,469 44,470 1.294,471 20,472 0.588,473 24,474 0.706,475 30.169,476 0.887,477 36.367,478 0.616,479 36.369,480 1.07,481 8.565,482 0.252,483 7.931,484 0.233,485 0.105,487 0.429,493 0.803,494 1.423,495 0.719,496 1.123,497 0.569,498 0.933,499 0.947,500 0.966,501 0.811,502 0.885,503 0.564,504 0.818,505 1.131,506 1.087,507 1.01,508 0.99,509 0.845,510 0.982,511 0.935,512 0.924,513 0.986,514 0.953,515 0.955,516 0.968,517 0.769,518 1.072,519 0.888,520 1.075,521 0.881,522 1.021,523 0.977,524 1.068,525 0.998,526 1.077,527 1.032,528 1.045,529 0.776,530 1.062,531 0.875,532 1.049,533 0.648,534 1,535 1.252,536 0.986,537 1.102,538 1.013,539 1.124,540 1.029,541 7.5,542 0.212,543 3.556,544 3.465,545 1.453,546 1.362,547 0.874,548 0.775,549 0.376,550 0.249,551 17284,552 45118,553 2.178,554 42.4,556 17,557 1,558 1,559 2,561 4,564 1.762,565 2.04,566 3.569,567 0.206,569 1,573 95.273,574 1.615,575 4.058,576 5.077,577 5.315,578 5.315,579 5.315,580 3.088,581 4.793,582 5.056,583 3.754,584 2106.03,585 8.881,586 31172.6,591 347.076,592 1.402,593 5.022,594 0.192,595 0.007,596 0.061,597 0.06,598 0.027,599 0.025,600 0.016,601 0.014,602 0.009,603 0.007,604 0.419,605 0.5,606 0.88,607 0.962,608 180.509,609 -0.06,610 -0.233,611 0.069,612 -0.086,613 -0.037,614 0.001,615 -0.003,616 0.16,617 0.081,618 0.098,619 0.067,620 0.11,621 -0.081,622 -0.065,623 -0.064,624 0.005,625 0.016,626 -0.023,627 -0.088,628 0.089,629 -0.033,630 0.038,631 -0.038,632 0.021,633 0.059,634 -0.062,635 0.037,636 -0.052,637 0.008,638 -0.021,639 -0.019,640 -0.05,641 -0.051,642 -0.083,643 -0.075,644 -0.073,645 0.281,646 -0.08,647 0.105,648 -0.059,649 0.298,650 -0.024,651 -0.177,652 -0.047,653 -0.094,654 -0.025,655 -0.086,656 -0.039,657 2.019,658 6.161,659 0.765,660 34.73,661 1.011,662 1.127,663 1.315,664 1.728,665 0.669,666 3.689,667 4.078,668 4.419,669 4.771,670 5.024,671 5.187,672 5.416,673 5.602,674 5.74,675 5.889,676 7.236,677 0.648,678 459.55,679 3.689,680 5.273,681 6.163,682 7.081,683 7.989,684 8.911,685 9.826,686 10.751,687 11.671,688 12.597,689 8.5,695 1,696 2,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,729 1,731 59,733 19,734 1,735 39,737 64,738 25,739 13,740 3,741 3,742 3,746 6,747 9,751 1,755 4,758 4,761 17,762 8,766 3,771 2,773 1,775 3,778 1,781 25,782 8,783 2,784 9,790 5,794 0.5,795 4,801 1,805 1,807 1,811 3,812 3,813 1,815 2,831 2,839 1,840 3,844 2,848 34,854 4,855 2,856 2,858 2,859 1,870 6.8,873 2,874 1,875 1,877 16.667,878 11.267,879 7.222,880 3.579,881 4.125,882 1.456,883 1.032,884 5.266,885 13.166,886 3.932,887 4.562,888 5.192,889 5.831,890 6.391,891 6.79,892 7.287,893 7.737,894 8.076,895 8.51,896 1,897 58,898 12.638,900 5.63,901 7.745,902 24.189,904 20.839,905 2.245,906 76.333,910 270.735,911 127.618,912 57.83,914 72.29,917 127.618,918 343.025,919 57.83,920 16.793,921 45.302,922 56.429,923 101.939,924 44.772,925 16.047,926 247.193,928 270.735,929 185.449,930 72.29,933 223.651,934 108.374,935 11,937 57.964,938 95.98,939 31.505,941 270.735,942 130.12,943 127.618,946 270.735,947 45.35,948 87.292,949 36.022,950 89.075,951 270.735,952 130.12,953 127.618,955 0.595,956 0.357,957 0.199,958 0.109,959 32,960 14,961 0.047,962 3,963 4,964 1.269,965 4.438,966 348.6,967 0.308,968 25,969 164.219,974 21.504,975 8.326,976 3.765,977 1.844,978 128.221,979 10.878,980 4.595,984 3.386,985 1.97,986 36.022,987 528.474,988 50,993 24.794,995 1.788,997 -0.326,999 59.654,1000 66.481,1001 0.275,1002 0.69,1003 0.863,1004 0.903,1005 0.903,1006 0.903,1007 5.22,1008 1.879,1009 6.176,1010 6.086,1011 4.762,1012 5.25,1013 2.274,1014 7.048,1015 4.676,1016 6.441,1017 1.846,1018 7.769,1019 5.638,1020 4.443,1021 5.173,1022 1.305,1023 8.021,1024 4.326,1025 7.771,1026 1.692,1027 9.458,1028 5.245,1029 6.418,1030 7.479,1031 2.627,1032 11.171,1033 6.255,1034 9.135,1035 1.61,1036 11.202,1037 5.015,1038 6.909,1039 8.252,1040 2.354,1041 12.994,1042 6.719,1043 10.533,1044 1.208,1045 12.983,1046 4.719,1047 8.369,1048 10.067,1049 3.315,1050 15.67,1051 8.14,1052 11.956,1053 1.046,1054 14.791,1055 3.221,1056 9.234,1057 11.246,1058 3.414,1059 17.863,1060 8.98,1061 13.4,1062 0.802,1063 16.62,1064 2.711,1065 10.501,1066 12.878,1067 4.177,1068 20.384,1069 10.215,1070 3.32,1071 0.684,1072 18.466,1073 1.993,1074 11.537,1075 14.25,1076 4.466,1077 22.733,1078 11.226,1079 3.173,1080 11.961,1081 20.325,1082 1.674,1083 12.736,1084 15.814,1085 5.117,1086 25.206,1087 12.397,1088 2.886,1089 10.803,1090 22.197,1091 4.707,1092 13.848,1093 17.274,1094 5.504,1095 27.619,1096 13.484,1097 2.575,1098 9.065,1099 24.078,1100 4.126,1101 15.025,1102 18.815,1103 6.093,1104 30.08,1105 14.634,1106 2.439,1107 7.638,1108 25.968,1109 3.339,1110 16.172,1111 20.316,1112 6.531,1113 32.521,1114 15.755,1115 2.252,1116 7.612,1117 27.864,1118 3.272,1119 17.345,1120 21.851,1121 7.084,1122 34.981,1123 16.901,1124 2.004,1125 6.927,1126 29.766,1127 2.949,1128 18.508,1129 23.372,1130 7.551,1131 37.435,1132 18.038,1133 15844,1134 25760,1135 26.471,1136 39.46,1137 60.576,1138 62.736,1139 62.202,1140 59.864,1141 59.852,1142 75.663,1143 8.846,1144 182.457,1145 57.232,1146 5.737,1147 5.731,1148 6.552,1149 5.393,1150 5.32,1151 7.707,1152 2.912,1153 19.399,1154 5.215,1155 15.761,1156 1.553,1157 1.609,1158 1.595,1159 1.535,1160 1.535,1161 1.94,1162 0.227,1163 4.678,1164 1.467,1165 4.16,1166 4.195,1167 4.131,1168 4.047,1169 7.432,1170 4.064,1171 3.981,1172 3.996,1173 3.95,1174 3.885,1175 7.427,1176 3.897,1177 3.898,1178 3.942,1179 3.798,1180 3.733,1181 5.03,1182 3.741,1183 3.607,1184 3.657,1185 3.552,1186 3.413,1187 4.849,1188 3.432,1189 3.479,1190 3.538,1191 3.389,1192 3.276,1193 4.666,1194 3.301,1195 3.399,1196 3.454,1197 3.303,1198 3.188,1199 4.442,1200 3.212,1201 3.164,1202 3.253,1203 3.035,1204 2.955,1205 4.307,1206 2.961,1207 3.093,1208 3.176,1209 2.902,1210 2.951,1211 4.18,1212 2.926,1213 0.121,1214 0.096,1215 0.179,1216 0.11,1217 0.085,1218 4.737,1219 0.121,1220 3.731,1221 0.042,1222 7,1223 0.307,1224 4.286,1225 0.082,1226 3.32,1227 4.707,1228 1.656,1229 11.961,1230 3.215,1231 1.917,1232 1.889,1233 1.99,1234 2.053,1235 1.255,1236 2.036,1237 1.879,1238 1.859,1239 1.961,1240 1.985,1241 1.248,1242 1.976,1243 1.652,1244 1.614,1245 1.86,1246 1.867,1247 1.086,1248 1.851,1249 1.605,1250 1.554,1251 1.804,1252 1.792,1253 1.024,1254 1.798,1255 1.604,1256 1.543,1257 1.776,1258 1.76,1259 0.886,1260 1.786,1261 1.426,1262 1.354,1263 1.696,1264 1.741,1265 0.688,1266 1.725,1267 1.359,1268 1.315,1269 1.552,1270 1.568,1271 0.615,1272 1.557,1273 1.073,1274 1.035,1275 1.245,1276 1.33,1277 0.496,1278 1.316,1279 4.369,1281 5.74,1282 3.434,1283 7.294,1284 5.9,1285 8.934,1286 8.05,1287 10.623,1289 3.486,1295 3.891,1296 5.182,1297 11.943,1299 0.527,1300 2.376,1305 38.234,1306 95.273,1307 239.424,1308 299.566,1309 313.566,1310 313.566,1311 313.566,1312 56.585,1313 9.041,1314 101.63,1315 101.63,1316 33,1317 13.103,1318 4.322,1319 3.585,1320 45.086,1321 146,1322 176,1323 0.149,1324 226.901,1325 397.96,1326 545.399,1327 124839,1329 23.397,1330 0.688,1331 0.559,1332 23.397,1333 18.999,1334 16.496,1335 0.423,1336 0.293,1337 11.208,1338 15.712,1339 10.967,1340 9.001,1341 16.496,1342 11.414,1343 15.528,1344 0.268,1345 0.154,1346 15.528,1347 8.941,1348 13.76,1349 0.168,1350 0.082,1351 13.76,1352 6.688,1353 12.075,1354 0.103,1355 0.044,1356 12.075,1357 5.106,1358 10.028,1359 0.066,1360 0.024,1361 10.028,1362 3.58,1363 0.234,1364 104.415,1365 0.194,1366 31.129,1367 0.414,1368 194,1369 572.543,1370 216.613,1371 542.135,1372 752.52,1373 510,1374 237,1375 568.761,1376 261.003,1377 569.242,1378 847.32,1379 537,1380 6.237}
{0 CHEMBL1093181,1 1.619,2 13.639,3 2.605,4 6.785,5 134.829,6 7.434,7 0.45,8 4.305,9 4.433,10 3.876,11 3.753,12 5.378,13 3.761,14 4.871,15 5.058,16 4.231,17 4.135,18 5.936,19 4.121,20 5.107,21 5.328,22 4.279,23 4.297,24 6.083,25 4.252,26 5.167,27 5.412,28 4.251,29 4.29,30 6.172,31 4.226,32 5.134,33 5.384,34 4.255,35 4.251,36 6.206,37 4.209,38 5.022,39 5.233,40 4.265,41 4.273,42 6.051,43 4.232,44 5.088,45 5.289,46 4.267,47 4.406,48 6.043,49 4.335,50 5.286,51 5.506,52 4.228,53 4.539,54 6.182,55 4.393,56 0.069,57 1.045,58 13.875,59 5.239,60 9.517,61 7.401,62 0.633,63 1.621,64 28.087,65 8.829,66 45.614,67 12.489,68 0.651,69 1.939,70 36.901,71 10.419,72 47.103,73 15.998,74 0.639,75 1.988,76 40.148,77 11.338,78 60.164,79 17.645,80 0.846,81 1.916,82 39.518,83 9.586,84 82.934,85 15.674,86 0.554,87 1.861,88 32.948,89 10.003,90 49.67,91 14.973,92 0.635,93 2.02,94 34.212,95 11.438,96 40.138,97 16.756,98 0.411,99 2.223,100 42.435,101 18.333,102 58.393,103 25.507,104 10,105 55,106 0.256,107 0.568,108 0.719,109 0.766,110 0.77,111 0.775,112 3.616,113 0.907,114 -3.79,115 -3.76,116 -3.57,119 37.9,120 2,125 6,127 2,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 4,174 7,175 6,178 2,179 1,180 4,183 5,186 2,187 6,192 2,195 2,198 3,199 15,202 1,204 5,211 4,212 8,217 2,223 1,224 11,227 3,229 1,232 6,236 4,237 2,245 8,249 2,250 6,253 5,258 7,263 8,275 2692,276 24.654,277 24.654,278 24.654,279 24.654,280 24.654,281 22.44,282 35.795,283 14.776,284 25.496,285 19.797,286 19.797,287 19.797,288 19.797,289 19.797,290 16.425,291 56.906,292 7.083,293 21.15,294 4.425,295 2.454,296 1.5,297 1.205,298 1.174,299 1.144,300 4.324,305 1,306 1078,307 3.162,311 632.572,318 2.144,319 34.37,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 79,331 491,332 4.415,333 3.562,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.895,341 4.099,342 3.349,343 6.384,344 3.813,345 2.893,346 3.611,347 0.86,348 9.695,349 2.697,350 3.963,351 3.198,352 6.12,353 3.772,354 2.806,355 3.472,356 0.86,357 8.96,358 2.66,359 3.958,360 2.851,361 5.57,362 3.613,363 2.651,364 3.091,365 0.8,366 7.64,367 2.543,368 3.755,369 2.562,370 5.336,371 3.387,372 2.425,373 3.076,374 0.8,375 6.948,376 2.329,377 3.447,378 2.486,379 5.203,380 3.102,381 2.158,382 2.651,383 0.247,384 6.243,385 2.033,386 3.295,387 2.316,388 4.891,389 2.904,390 1.92,391 2.438,393 5.254,394 1.873,395 3.045,396 2.264,397 4.66,398 2.765,399 1.851,400 2.139,402 5.059,403 1.691,404 2.858,405 1.89,406 4.292,407 2.359,408 1.423,409 1.999,411 3.886,412 1.33,413 2.754,414 1.752,415 3.911,416 2.33,417 1.414,418 1.847,420 3.115,421 1.293,422 2.5,423 1.539,424 3.832,425 2.328,426 1.414,427 1.5,428 3.068,429 1.282,430 2.5,431 1.519,432 3.585,433 2.267,434 1.335,435 1.5,436 2.984,437 1.232,438 2.414,439 1.278,440 3.575,441 2,442 1.075,443 1.414,445 2.763,446 1,447 2.414,448 1.271,449 3.569,450 1.984,451 1,452 1.414,454 2.593,455 0.983,456 2.202,457 1,458 3.414,459 1.963,460 1,461 1.184,463 2.275,464 0.948,465 16.7,466 0.464,467 0.78,468 0.022,469 47.25,470 1.313,471 21.5,472 0.597,473 25.75,474 0.715,475 32.632,476 0.906,477 39.7,478 0.602,479 38.044,480 1.057,481 9.22,482 0.256,483 8.343,484 0.232,485 0.08,487 0.317,493 0.883,494 1.67,495 0.773,496 1.289,497 0.671,498 1.047,499 1.079,500 1.011,501 0.921,502 0.941,503 0.69,504 0.919,505 1.165,506 1.165,507 1.031,508 0.97,509 0.952,510 0.968,511 1.005,512 1.138,513 0.975,514 1.016,515 0.911,516 0.987,517 1.144,518 0.926,519 0.99,520 0.746,521 1.451,522 0.799,523 1.017,524 1.084,525 1.001,526 0.978,527 1.119,528 0.973,529 0.871,530 0.935,531 1.2,532 1.048,533 0.642,534 1.139,535 0.36,536 1.163,537 1.061,538 1.529,539 0.397,540 1.459,541 6.5,542 0.14,543 3.556,544 2.25,545 1.431,546 1.486,547 1.012,548 0.46,549 0.327,550 0.357,551 20782,552 54602,553 2.137,554 45.5,556 20,558 2,559 2,561 6,564 1.776,565 2.038,566 3.646,567 0.231,573 106.872,574 1.619,575 3.591,576 4.544,577 4.84,578 4.87,579 4.9,580 3.03,581 4.239,582 5.137,583 3.899,584 2456.28,585 9.042,586 39836.9,591 398.93,592 1.256,593 5.118,594 0.162,595 0.005,596 0.065,597 0.039,598 0.027,599 0.027,600 0.018,601 0.008,602 0.006,603 0.01,604 0.368,605 0.33,606 0.63,607 0.442,608 197.191,609 -0.058,610 -0.396,611 0.075,612 -0.177,613 -0.037,614 -0.048,615 0.07,616 0.124,617 0.033,618 0.053,619 0.104,620 0.024,621 -0.14,622 -0.095,623 -0.064,624 0.003,625 -0.074,626 -0.012,627 -0.064,628 -0.116,629 0.005,630 -0.057,631 0.014,632 -0.021,633 -0.09,634 0.12,635 0.013,636 0.158,637 -0.097,638 0.124,639 -0.092,640 0.036,641 -0.06,642 0.014,643 -0.056,644 -0.01,645 -0.098,646 0.234,647 -0.3,648 -0.018,649 -0.099,650 -0.157,651 0.193,652 -0.159,653 -0.173,654 -0.387,655 0.131,656 -0.362,657 1.999,658 5.331,659 0.833,660 44.753,661 1.008,662 1.139,663 2.564,664 6.575,665 0.648,666 3.714,667 4.025,668 4.29,669 4.554,670 4.796,671 4.868,672 5.069,673 5.236,674 5.342,675 5.489,676 8.106,677 0.623,678 490.63,679 3.714,680 5.252,681 6.098,682 6.969,683 7.829,684 8.707,685 9.575,686 10.457,687 11.33,688 12.215,689 12.1,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 66,733 19,734 1,735 40,737 70,738 25,739 14,740 2,741 4,746 5,747 5,751 1,752 2,755 2,758 2,761 15,762 10,766 1,771 1,775 1,781 30,782 11,783 2,784 11,790 8,794 1,795 3,805 1,812 5,839 2,840 5,844 2,848 36,854 6,855 2,856 2,858 2,859 2,870 4.5,873 1,874 2,877 17.667,878 12.283,879 7.889,880 3.999,881 3.155,882 1.385,883 0.973,884 7.682,885 11.352,886 3.932,887 4.46,888 4.968,889 5.523,890 6.064,891 6.286,892 6.732,893 7.123,894 7.419,895 7.791,896 0.889,897 57,898 13.317,900 5.625,901 7.676,902 25.56,904 20.831,905 2.176,906 78.333,910 329.591,911 134.285,912 109.412,914 47.145,917 134.285,918 376.736,919 109.412,920 17.65,921 58.602,922 56.857,923 137.829,924 35.37,925 8.074,926 306.049,928 329.591,929 243.697,930 47.145,933 261.292,934 95.772,935 22,937 98.146,938 76.081,939 67.142,941 329.591,942 156.557,943 134.285,946 329.591,947 41.682,948 98.851,949 36.022,950 114.287,951 329.591,952 156.557,953 134.285,955 0.577,956 0.334,957 0.183,958 0.099,959 26,960 11,961 0.071,962 5,964 1,965 4.688,966 348.02,968 30,969 160.117,974 24.535,975 11.271,976 5.991,978 156.557,979 14.159,980 18.459,984 4.024,986 36.022,987 620.432,988 50,993 12.331,997 -0.332,999 66.516,1000 75.182,1001 0.268,1002 0.594,1003 0.752,1004 0.801,1005 0.806,1006 0.811,1007 5.173,1008 1.851,1009 6.066,1010 5.254,1011 4.71,1012 5.147,1013 2.368,1014 6.851,1015 4.584,1016 6.336,1017 1.423,1018 7.604,1019 5.059,1020 4.205,1021 4.771,1022 1.404,1023 7.678,1024 4.039,1025 7.613,1026 1.414,1027 9.243,1028 3.886,1029 6.275,1030 7.202,1031 2.66,1032 10.785,1033 6.024,1034 8.92,1035 1.414,1036 10.941,1037 3.115,1038 6.594,1039 7.614,1040 2.382,1041 12.456,1042 6.292,1043 10.258,1044 1.335,1045 12.679,1046 3.068,1047 8.113,1048 9.539,1049 3.324,1050 15.059,1051 7.733,1052 11.618,1053 1.075,1054 14.444,1055 2.984,1056 8.83,1057 10.345,1058 3.421,1059 17.084,1060 8.383,1061 12.994,1062 1,1063 16.23,1064 2.763,1065 10.109,1066 12.029,1067 4.179,1068 19.503,1069 9.59,1070 3.133,1071 1,1072 18.03,1073 2.593,1074 11.022,1075 13.058,1076 4.467,1077 21.685,1078 10.427,1079 2.893,1080 10.418,1081 19.842,1082 2.275,1083 12.195,1084 14.611,1085 5.118,1086 24.035,1087 11.529,1088 2.806,1089 9.695,1090 21.663,1091 4.056,1092 13.206,1093 15.776,1094 5.504,1095 26.289,1096 12.459,1097 2.651,1098 8.96,1099 23.491,1100 3.611,1101 14.336,1102 17.254,1103 6.093,1104 28.615,1105 13.515,1106 2.425,1107 7.64,1108 25.325,1109 3.472,1110 15.396,1111 18.504,1112 6.531,1113 30.902,1114 14.493,1115 2.158,1116 6.948,1117 27.164,1118 3.091,1119 16.51,1120 19.94,1121 7.084,1122 33.221,1123 15.531,1124 1.92,1125 6.243,1126 29.007,1127 3.076,1128 17.596,1129 21.244,1130 7.551,1131 35.526,1132 16.534,1133 19372,1134 31588,1135 27.334,1136 42.784,1137 59.704,1138 60.651,1139 60.642,1140 59.131,1141 59.162,1142 73.2,1143 10.446,1144 166.516,1145 55.484,1146 5.415,1147 5.562,1148 6.365,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.895,1155 14.057,1156 1.493,1157 1.516,1158 1.516,1159 1.478,1160 1.479,1161 1.83,1162 0.261,1163 4.163,1164 1.387,1165 4.018,1166 4.067,1167 3.978,1168 3.893,1169 7.431,1170 3.904,1171 3.875,1172 3.925,1173 3.821,1174 3.742,1175 5.078,1176 3.751,1177 3.839,1178 3.881,1179 3.768,1180 3.674,1181 4.908,1182 3.696,1183 3.784,1184 3.84,1185 3.672,1186 3.579,1187 4.702,1188 3.592,1189 3.573,1190 3.629,1191 3.501,1192 3.348,1193 4.623,1194 3.381,1195 3.377,1196 3.425,1197 3.326,1198 3.095,1199 4.598,1200 3.138,1201 3.264,1202 3.352,1203 3.037,1204 3.089,1205 4.097,1206 3.065,1207 3.263,1208 3.349,1209 3.037,1210 3.067,1211 4.056,1212 3.06,1213 0.11,1214 0.089,1215 0.164,1216 0.101,1217 0.078,1218 4.415,1219 0.101,1220 3.562,1221 0.041,1222 6.563,1223 0.26,1224 4.053,1225 0.072,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.895,1231 1.932,1232 1.901,1233 2.024,1234 2.088,1235 1.252,1236 2.064,1237 1.823,1238 1.781,1239 1.964,1240 1.999,1241 1.235,1242 1.988,1243 1.785,1244 1.731,1245 1.947,1246 1.962,1247 1.101,1248 1.958,1249 1.73,1250 1.673,1251 1.93,1252 1.947,1253 0.948,1254 1.948,1255 1.467,1256 1.411,1257 1.644,1258 1.718,1259 0.895,1260 1.68,1261 1.293,1262 1.21,1263 1.636,1264 1.54,1265 0.894,1266 1.565,1267 1.29,1268 1.209,1269 1.533,1270 1.52,1271 0.513,1272 1.561,1273 1.215,1274 1.166,1275 1.341,1276 1.516,1277 0.456,1278 1.486,1279 4.394,1281 5.707,1283 7.219,1285 8.817,1287 10.459,1289 4.217,1295 3.974,1296 5.617,1297 11.224,1299 0.323,1300 4.339,1305 41.11,1306 106.872,1307 236.982,1308 299.91,1309 319.42,1310 321.42,1311 323.42,1312 56.696,1313 8.197,1314 117.63,1315 117.63,1316 30,1317 12.75,1318 4.322,1319 3.459,1320 54.419,1321 170,1322 204,1323 0.15,1324 250.681,1325 434.53,1326 603.422,1327 44282,1329 24.907,1330 0.692,1331 0.567,1332 24.907,1333 20.424,1334 17.564,1335 0.439,1336 0.302,1337 11.858,1338 16.638,1339 11.604,1340 9.573,1341 17.564,1342 12.1,1343 15.7,1344 0.285,1345 0.162,1346 15.7,1347 8.886,1348 13.137,1349 0.182,1350 0.086,1351 13.137,1352 6.2,1353 11.182,1354 0.119,1355 0.045,1356 11.182,1357 4.22,1358 9.055,1359 0.075,1360 0.023,1361 9.055,1362 2.719,1363 0.237,1364 111.576,1365 0.191,1366 33.15,1367 0.404,1368 190,1369 579.743,1370 215.678,1371 548.352,1372 755.04,1373 518,1374 222,1375 558.318,1376 247.847,1377 559.209,1378 822.3,1379 526,1380 6.762}
{0 CHEMBL1093182,1 1.554,2 16.025,3 3.829,4 14.661,5 155.528,6 7.01,7 0.409,8 4.452,9 4.587,10 3.971,11 3.899,12 5.48,13 3.889,14 5.029,15 5.233,16 4.325,17 4.288,18 6.031,19 4.257,20 5.256,21 5.473,22 4.384,23 4.475,24 6.202,25 4.406,26 5.386,27 5.653,28 4.366,29 4.478,30 6.314,31 4.388,32 5.291,33 5.539,34 4.361,35 4.429,36 6.325,37 4.363,38 5.218,39 5.449,40 4.341,41 4.433,42 6.166,43 4.363,44 5.241,45 5.462,46 4.357,47 4.508,48 6.163,49 4.427,50 5.381,51 5.601,52 4.323,53 4.619,54 6.303,55 4.48,56 0.023,57 1.2,58 17.706,59 6.4,60 11.122,61 9.438,62 0.662,63 1.869,64 34.846,65 10.572,66 48.195,67 15.661,68 0.528,69 2.265,70 43.568,71 13.137,72 48.985,73 20.407,74 0.605,75 2.378,76 51.457,77 14.551,78 69.312,79 23.451,80 0.771,81 2.245,82 46.549,83 12.064,84 87.159,85 19.928,86 0.481,87 2.179,88 42.072,89 12.783,90 51.823,91 19.831,92 0.622,93 2.265,94 42.593,95 13.486,96 46.859,97 20.717,98 0.515,99 2.433,100 48.539,101 19.352,102 69.332,103 27.299,104 28,105 61,106 0.238,107 0.54,108 0.71,109 0.757,110 0.769,111 0.773,112 3.717,113 0.936,114 -4.59,115 -4.52,116 -4.25,119 37.2,120 2,124 2,125 7,127 2,142 8,143 2,144 2,149 1,150 2,159 1,172 8,174 7,175 5,178 2,179 1,180 4,183 8,186 2,187 8,192 4,195 4,198 3,199 17,204 6,211 4,212 10,217 4,224 12,227 3,229 2,232 6,236 4,237 2,245 12,249 3,250 4,253 6,258 13,263 6,271 4,275 3550,276 26.963,277 26.963,278 26.963,279 26.963,280 26.963,281 24.777,282 42.859,283 16.011,284 27.838,285 21.764,286 21.764,287 21.764,288 21.764,289 21.764,290 18.358,291 66.599,292 7.672,293 23.175,294 4.732,295 2.761,296 1.654,297 1.346,298 1.269,299 1.244,300 4.422,306 1392,307 3.808,311 730.686,318 2.525,319 33.997,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 87,331 641,332 4.415,333 3.562,334 6.563,335 4.053,336 3.133,337 4.056,338 1.656,339 10.418,340 2.895,341 4.108,342 3.349,343 6.384,344 3.813,345 2.893,346 3.659,347 0.916,348 9.695,349 2.702,350 4.057,351 3.198,352 6.12,353 3.775,354 2.808,355 3.601,356 0.86,357 8.96,358 2.66,359 3.958,360 2.918,361 5.612,362 3.695,363 2.72,364 3.102,365 0.86,366 7.755,367 2.652,368 3.812,369 2.85,370 5.456,371 3.505,372 2.542,373 3.091,374 0.8,375 7.303,376 2.441,377 3.601,378 2.537,379 5.259,380 3.29,381 2.336,382 2.875,383 0.8,384 6.712,385 2.228,386 3.383,387 2.475,388 5.191,389 3.087,390 2.147,391 2.539,392 0.247,393 6.235,394 2.013,395 3.258,396 2.316,397 4.891,398 2.907,399 1.947,400 2.404,401 0.172,402 5.254,403 1.861,404 3.045,405 2.264,406 4.649,407 2.765,408 1.851,409 2.139,411 5.034,412 1.691,413 2.963,414 2.087,415 4.383,416 2.702,417 1.732,418 2,420 4.438,421 1.663,422 2.759,423 1.889,424 4.285,425 2.345,426 1.414,427 1.856,428 3.869,429 1.317,430 2.5,431 1.752,432 3.911,433 2.328,434 1.414,435 1.5,436 3.111,437 1.282,438 2.5,439 1.539,440 3.832,441 2.284,442 1.361,443 1.5,445 3.068,446 1.242,447 2.414,448 1.278,449 3.585,450 2,451 1.075,452 1.414,454 2.765,455 1,456 2.414,457 1.272,458 3.575,459 2,460 1,461 1.414,463 2.593,464 1,465 18.7,466 0.468,467 0.993,468 0.025,469 49.5,470 1.238,471 21.5,472 0.538,473 28,474 0.7,475 39.424,476 0.986,477 44.9,478 0.576,479 42.565,480 1.064,481 9.757,482 0.244,483 9.594,484 0.24,485 0.125,487 0.332,493 0.888,494 1.697,495 0.835,496 1.323,497 0.701,498 1.101,499 1.136,500 0.922,501 0.929,502 0.856,503 0.677,504 0.862,505 1.122,506 1.272,507 1.08,508 1.112,509 0.962,510 1.089,511 0.951,512 1.081,513 0.894,514 0.934,515 0.858,516 0.901,517 1.132,518 1.007,519 1.026,520 0.856,521 1.465,522 0.893,523 1.01,524 1.106,525 1.004,526 1.014,527 1.164,528 0.998,529 0.902,530 0.977,531 1.115,532 1.014,533 0.737,534 1.065,535 0.551,536 1.114,537 1.123,538 1.426,539 0.76,540 1.387,541 8.5,542 0.182,543 4,544 2.563,545 1.822,546 1.66,547 1.215,548 0.516,549 0.45,550 0.397,551 28578,552 67222,553 2.092,554 48.7,556 30,559 2,561 6,564 1.798,565 1.967,566 3.856,567 0.174,573 121.204,574 1.554,575 3.524,576 4.631,577 4.939,578 5.016,579 5.042,580 3.334,581 4.522,582 5.288,583 4.141,584 3229.73,585 9.326,586 58150.4,591 490.261,592 1.376,593 5.257,594 0.193,595 0.005,596 0.066,597 0.041,598 0.03,599 0.027,600 0.02,601 0.008,602 0.008,603 0.009,604 0.408,605 0.17,606 0.63,607 0.774,608 228.769,609 -0.03,610 -0.391,611 0.079,612 -0.173,613 -0.046,614 -0.05,615 0.071,616 0.23,617 0.068,618 0.142,619 0.126,620 0.1,621 -0.103,622 -0.161,623 -0.107,624 -0.095,625 -0.07,626 -0.102,627 -0.025,628 -0.081,629 0.096,630 0.024,631 0.059,632 0.071,633 -0.063,634 0.072,635 -0.022,636 0.078,637 -0.081,638 0.048,639 -0.085,640 -0.001,641 -0.035,642 -0.01,643 -0.1,644 -0.012,645 -0.049,646 0.172,647 -0.161,648 0.01,649 -0.054,650 -0.069,651 0.155,652 -0.062,653 -0.205,654 -0.31,655 0.069,656 -0.319,657 1.972,658 5.606,659 0.75,660 55.263,661 1.001,662 1.139,663 3.363,664 11.313,665 0.639,666 3.807,667 4.127,668 4.369,669 4.635,670 4.875,671 4.956,672 5.165,673 5.308,674 5.407,675 5.537,676 9.382,677 0.605,678 546.75,679 3.807,680 5.352,681 6.192,682 7.066,683 7.922,684 8.8,685 9.665,686 10.546,687 11.417,688 12.3,689 10.3,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 78,733 19,734 2,735 44,737 82,738 29,739 15,740 4,741 8,746 5,747 5,751 1,752 2,755 2,758 2,761 16,762 13,766 1,771 1,775 1,781 38,782 11,783 2,784 11,790 8,794 1,795 3,812 5,836 1,839 2,840 5,844 4,848 40,854 7,855 2,856 2,858 2,859 3,870 3.8,873 1,874 2,877 20.333,878 15.033,879 8.722,880 4.657,881 3.285,882 1.387,883 0.963,884 9.247,885 11.764,886 4.007,887 4.538,888 5.032,889 5.59,890 6.137,891 6.379,892 6.819,893 7.179,894 7.459,895 7.817,896 1,897 63,898 14.824,900 6.199,901 7.613,902 28.695,904 23.32,905 2.113,906 84.5,910 423.76,911 157.226,912 95.751,914 47.145,917 157.226,918 470.904,919 95.751,920 34.443,921 60.708,922 75.81,923 97.501,924 23.586,925 8.074,926 423.76,928 423.76,929 252.977,930 47.145,933 355.461,934 95.772,935 22,937 85.281,938 115.012,939 50.357,941 423.76,942 142.896,943 157.226,946 423.76,947 46.973,948 119.626,949 36.022,950 97.501,951 423.76,952 142.896,953 157.226,955 0.58,956 0.327,957 0.179,958 0.098,959 28,960 13,961 0.085,962 7,964 1,965 4.999,966 394.334,968 30,969 184.877,974 28.401,975 13.024,976 7.347,978 142.896,979 15.373,980 14.587,984 5.309,986 36.022,987 723.882,988 54,993 12.606,997 -0.305,999 78.05,1000 88.843,1001 0.247,1002 0.561,1003 0.737,1004 0.786,1005 0.798,1006 0.802,1007 5.26,1008 1.947,1009 6.172,1010 6.235,1011 4.812,1012 5.226,1013 2.5,1014 6.956,1015 4.694,1016 6.429,1017 1.851,1018 7.712,1019 5.254,1020 4.369,1021 4.924,1022 1.494,1023 7.781,1024 4.207,1025 7.71,1026 1.732,1027 9.348,1028 5.034,1029 6.382,1030 7.282,1031 2.725,1032 10.867,1033 6.149,1034 9.019,1035 1.414,1036 11.041,1037 4.438,1038 6.723,1039 7.745,1040 2.426,1041 12.517,1042 6.435,1043 10.358,1044 1.414,1045 12.772,1046 3.869,1047 8.213,1048 9.623,1049 3.349,1050 15.111,1051 7.86,1052 11.716,1053 1.361,1054 14.529,1055 3.111,1056 8.931,1057 10.462,1058 3.436,1059 17.12,1060 8.512,1061 13.092,1062 1.075,1063 16.305,1064 3.068,1065 10.195,1066 12.116,1067 4.188,1068 19.534,1069 9.713,1070 3.133,1071 1,1072 18.097,1073 2.765,1074 11.104,1075 13.166,1076 4.472,1077 21.707,1078 10.547,1079 2.893,1080 10.418,1081 19.9,1082 2.593,1083 12.268,1084 14.699,1085 5.121,1086 24.053,1087 11.646,1088 2.808,1089 9.695,1090 21.714,1091 4.056,1092 13.273,1093 15.877,1094 5.506,1095 26.302,1096 12.572,1097 2.72,1098 8.96,1099 23.535,1100 3.659,1101 14.397,1102 17.342,1103 6.094,1104 28.625,1105 13.627,1106 2.542,1107 7.755,1108 25.364,1109 3.601,1110 15.451,1111 18.599,1112 6.532,1113 30.909,1114 14.6,1115 2.336,1116 7.303,1117 27.197,1118 3.102,1119 16.56,1120 20.026,1121 7.084,1122 33.227,1123 15.636,1124 2.147,1125 6.712,1126 29.036,1127 3.091,1128 17.641,1129 21.331,1130 7.551,1131 35.53,1132 16.634,1133 26968,1134 41580,1135 29.531,1136 49.83,1137 65.989,1138 66.888,1139 67.231,1140 65.234,1141 65.24,1142 79.454,1143 12.624,1144 184.762,1145 61.41,1146 5.415,1147 5.562,1148 6.248,1149 5.156,1150 5.133,1151 7.056,1152 2.912,1153 17.326,1154 4.895,1155 20.262,1156 1.5,1157 1.52,1158 1.528,1159 1.483,1160 1.483,1161 1.806,1162 0.287,1163 4.199,1164 1.396,1165 4.026,1166 4.074,1167 3.983,1168 3.907,1169 7.431,1170 3.915,1171 3.93,1172 3.97,1173 3.871,1174 3.848,1175 5.078,1176 3.847,1177 3.848,1178 3.892,1179 3.778,1180 3.674,1181 4.757,1182 3.696,1183 3.784,1184 3.84,1185 3.672,1186 3.579,1187 4.698,1188 3.592,1189 3.592,1190 3.667,1191 3.512,1192 3.356,1193 4.623,1194 3.388,1195 3.554,1196 3.622,1197 3.436,1198 3.327,1199 4.596,1200 3.341,1201 3.373,1202 3.424,1203 3.291,1204 3.103,1205 4.285,1206 3.142,1207 3.264,1208 3.352,1209 3.037,1210 3.089,1211 4.056,1212 3.065,1213 0.1,1214 0.081,1215 0.149,1216 0.092,1217 0.071,1218 4.415,1219 0.092,1220 3.562,1221 0.038,1222 6.563,1223 0.237,1224 4.053,1225 0.066,1226 3.133,1227 4.056,1228 1.656,1229 10.418,1230 2.895,1231 1.937,1232 1.906,1233 2.042,1234 2.088,1235 1.252,1236 2.066,1237 1.914,1238 1.883,1239 2.019,1240 2.031,1241 1.235,1242 2.033,1243 1.787,1244 1.733,1245 1.962,1246 1.967,1247 1.185,1248 1.97,1249 1.73,1250 1.673,1251 1.947,1252 1.962,1253 1.1,1254 1.958,1255 1.523,1256 1.44,1257 1.789,1258 1.79,1259 0.895,1260 1.793,1261 1.465,1262 1.404,1263 1.644,1264 1.712,1265 0.894,1266 1.68,1267 1.293,1268 1.21,1269 1.636,1270 1.541,1271 0.879,1272 1.565,1273 1.29,1274 1.21,1275 1.536,1276 1.52,1277 0.537,1278 1.562,1279 4.489,1281 5.808,1283 7.317,1285 8.91,1287 10.547,1289 8.282,1295 4.826,1296 5.783,1297 11.264,1299 0.321,1300 6.455,1305 47.218,1306 121.204,1307 274.901,1308 361.242,1309 385.242,1310 391.242,1311 393.242,1312 68.61,1313 8.479,1314 107.98,1315 107.98,1316 30,1317 12.836,1318 4.322,1319 3.459,1320 64.131,1321 223,1322 264,1323 0.136,1324 289.05,1325 503.73,1326 697.043,1327 65400,1329 28.062,1330 0.702,1331 0.591,1332 28.062,1333 23.631,1334 19.351,1335 0.44,1336 0.312,1337 13.46,1338 18.387,1339 13.04,1340 10.844,1341 19.351,1342 13.725,1343 17.712,1344 0.29,1345 0.174,1346 17.712,1347 10.585,1348 14.184,1349 0.182,1350 0.089,1351 14.184,1352 6.972,1353 12.129,1354 0.119,1355 0.047,1356 12.129,1357 4.843,1358 9.815,1359 0.076,1360 0.024,1361 9.815,1362 3.137,1363 0.22,1364 122.583,1365 0.184,1366 36.43,1367 0.357,1368 210,1369 601.743,1370 235.705,1371 572.572,1372 787.29,1373 540,1374 244,1375 579.613,1376 270.514,1377 586.877,1378 860.3,1379 548,1380 6.384}
{0 CHEMBL1093267,1 1.652,2 13.605,3 3.014,4 9.082,5 149.537,6 7.805,7 0.512,8 4.338,9 4.462,10 3.987,11 3.872,12 5.404,13 3.849,14 4.905,15 5.095,16 4.387,17 4.294,18 5.929,19 4.249,20 5.115,21 5.31,22 4.51,23 4.468,24 6.119,25 4.393,26 5.22,27 5.441,28 4.451,29 4.514,30 6.22,31 4.399,32 5.158,33 5.366,34 4.479,35 4.514,36 6.145,37 4.409,38 5.151,39 5.336,40 4.535,41 4.539,42 6.17,43 4.45,44 5.217,45 5.414,46 4.467,47 4.524,48 6.223,49 4.428,50 5.257,51 5.498,52 4.342,53 4.485,54 6.199,55 4.359,56 0.042,57 1.11,58 13.971,59 5.95,60 10.114,61 7.691,62 0.497,63 1.81,64 29.571,65 10.107,66 33.447,67 13.159,68 0.446,69 2.173,70 38.088,71 12.916,72 37.018,73 17.38,74 0.584,75 2.288,76 47.716,77 16.346,78 66.409,79 20.756,80 0.46,81 2.185,82 44.433,83 15.945,84 50.417,85 20.243,86 0.429,87 2.28,88 42.899,89 15.115,90 39.417,91 19.15,92 0.388,93 2.327,94 42.019,95 14.93,96 46.635,97 20.029,98 0.557,99 2.287,100 48.173,101 16.304,102 63.72,103 21.855,104 17,105 62,106 0.258,107 0.588,108 0.751,109 0.813,110 0.818,111 0.818,112 3.668,113 0.948,114 -4.04,115 -3.99,116 -3.78,119 39.7,120 1,124 1,125 8,142 4,143 4,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,172 7,174 4,175 7,177 2,178 2,183 9,186 2,187 8,195 9,198 5,199 8,204 1,207 7,209 1,211 2,212 9,220 6,223 2,224 15,226 2,227 2,232 2,236 1,237 15,245 2,249 2,250 7,252 1,253 1,255 1,258 2,260 1,262 6,263 8,268 2,271 1,273 2,275 2764,276 25.947,277 25.947,278 25.947,279 25.947,280 25.947,281 23.355,282 26.606,283 15.105,284 26.822,285 21.22,286 21.22,287 21.22,288 21.22,289 21.22,290 17.151,291 32.245,292 7.218,293 22.644,294 4.435,295 2.322,296 1.272,297 0.875,298 0.846,299 0.846,300 4.384,305 1,306 1149,307 3.082,310 81.498,311 577.448,314 153.34,318 1.994,319 34.08,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.67,328 1,329 0.71,330 82,331 517,332 4.75,333 3.697,334 6.953,335 4.271,336 3.333,337 4.713,338 1.2,339 11.765,340 3.126,341 4.323,342 3.409,343 6.455,344 3.989,345 3.011,346 3.928,347 0.86,348 9.982,349 2.941,350 4.182,351 3.046,352 6.355,353 3.818,354 2.865,355 3.761,356 0.8,357 9.566,358 2.732,359 4.02,360 2.829,361 6.104,362 3.684,363 2.739,364 3.443,365 0.8,366 8.911,367 2.585,368 3.746,369 2.771,370 5.828,371 3.45,372 2.501,373 3.066,374 0.293,375 7.904,376 2.369,377 3.65,378 2.559,379 5.312,380 3.272,381 2.339,382 3.05,384 6.596,385 2.186,386 3.45,387 2.367,388 5.066,389 3.171,390 2.25,391 2.579,393 6.091,394 2.06,395 3.199,396 2.303,397 5.044,398 2.913,399 1.978,400 2.31,402 5.728,403 1.841,404 3.096,405 2.146,406 4.917,407 2.776,408 1.849,409 2.221,411 5.412,412 1.706,413 2.921,414 1.935,415 4.52,416 2.423,417 1.49,418 2.076,420 4.321,421 1.38,422 2.766,423 1.786,424 4.381,425 2.34,426 1.433,427 1.849,428 3.914,429 1.298,430 2.6,431 1.48,432 4,433 2.229,434 1.298,435 1.635,436 3.169,437 1.195,438 2.5,439 1.293,440 3.665,441 2.017,442 1.079,443 1.5,445 2.624,446 0.995,447 2.471,448 1.256,449 3.484,450 1.967,451 1,452 1.464,454 2.275,455 0.965,456 2.286,457 1.153,458 3.439,459 1.952,460 1,461 1.074,463 2.275,464 0.946,465 18.2,466 0.479,467 0.956,468 0.025,469 49.25,470 1.296,471 22.5,472 0.592,473 26.75,474 0.704,475 37.871,476 0.997,477 40.6,478 0.597,479 40.557,480 1.067,481 9.485,482 0.25,483 8.989,484 0.237,485 0.095,487 0.368,493 0.859,494 1.471,495 0.738,496 1.065,497 0.708,498 0.957,499 1.12,500 0.832,501 0.83,502 0.703,503 0.622,504 0.732,505 1.007,506 1.129,507 0.926,508 1.005,509 0.795,510 0.97,511 1.013,512 0.913,513 1.173,514 1.06,515 1.423,516 0.98,517 0.86,518 1.018,519 1.084,520 1.061,521 1.145,522 0.921,523 0.805,524 1.128,525 1.188,526 1.286,527 0.781,528 1.112,529 0.964,530 1.288,531 1.076,532 1.244,533 1.065,534 1.205,535 0.908,536 0.975,537 1.085,538 1.062,539 0.934,540 1.041,541 7,542 0.296,543 4.889,544 2.701,545 2.152,546 1.869,547 1.234,548 0.672,549 0.528,550 0.401,551 22710,552 57311,553 2.159,554 44.1,555 3,556 23,558 2,559 2,564 1.792,565 2.036,566 3.693,567 0.201,573 112.359,574 1.652,575 3.766,576 4.815,577 5.212,578 5.242,579 5.242,580 3.177,581 4.827,582 5.215,583 3.84,584 2699.36,585 9.217,586 43382.1,591 413.947,592 1.36,593 5.187,594 0.163,595 0.007,596 0.079,597 0.041,598 0.035,599 0.028,600 0.018,601 0.011,602 0.009,603 0.008,604 0.399,605 0.33,606 0.63,607 0.48,608 208.601,609 -0.049,610 -0.276,611 0.079,612 -0.062,613 -0.047,614 -0.009,615 -0.021,616 0.291,617 0.112,618 0.263,619 0.084,620 0.195,621 -0.048,622 -0.053,623 0.056,624 0.018,625 0.033,626 0.001,627 -0.045,628 0.114,629 -0.038,630 0.048,631 -0.093,632 0.027,633 0.018,634 0.008,635 0.053,636 0.088,637 -0.027,638 0.11,639 0.018,640 -0.023,641 -0.085,642 -0.149,643 0.011,644 -0.108,645 -0.061,646 -0.244,647 -0.122,648 -0.224,649 -0.092,650 -0.22,651 -0.026,652 0.008,653 -0.059,654 -0.033,655 -0.035,656 -0.035,657 1.585,658 6.282,659 0.868,660 45.13,661 1.004,662 1.131,663 2.809,664 7.889,665 0.676,666 3.784,667 4.143,668 4.466,669 4.762,670 5.075,671 5.236,672 5.46,673 5.666,674 5.846,675 5.996,676 7.695,677 0.641,678 530.72,679 3.784,680 5.352,681 6.229,682 7.125,683 8.022,684 8.928,685 9.834,686 10.747,687 11.66,688 12.577,689 11.8,692 1,693 1,695 1,696 1,699 4,703 2,704 6,705 4,708 1,709 8,711 22,719 1,722 1,726 1,731 68,733 23,734 1,735 43,737 73,738 27,739 16,740 2,741 4,742 1,746 6,747 7,752 1,761 17,762 10,766 1,771 1,775 1,781 30,782 10,783 2,784 11,785 1,790 8,794 0.833,795 2,806 2,811 1,812 5,815 1,836 1,839 1,840 5,842 1,844 2,848 38,849 1,854 8,856 1,859 3,865 1,870 2.9,873 1,874 1,877 18.667,878 12.983,879 8.167,880 4.118,881 3.986,882 1.45,883 1.02,884 7.061,885 12.835,886 4.025,887 4.647,888 5.288,889 5.918,890 6.542,891 7,892 7.551,893 8.076,894 8.539,895 8.989,896 1,897 66,898 14.089,900 6.084,901 7.623,902 27.291,904 22.957,905 2.123,906 80.667,910 329.591,911 154.568,912 109.412,914 36.145,916 31.278,917 123.291,918 365.736,919 109.412,920 17.222,921 24.943,922 70.802,923 131.534,924 41.558,925 6.331,926 337.326,928 329.591,929 232.703,930 36.145,931 31.278,933 331.919,934 25.145,935 11,937 59.031,938 104.202,939 67.142,940 31.278,941 329.591,942 145.557,943 154.568,946 329.591,947 81.347,948 82.594,950 136.184,951 329.591,952 145.557,953 154.568,955 0.59,956 0.35,957 0.188,958 0.11,959 32,960 14,961 0.055,962 4,963 1,964 1.061,965 4.711,966 400.758,967 0.061,968 33,969 185.421,970 1,974 25.263,975 10.621,976 5.05,977 1.916,978 145.557,979 11.258,980 18.203,983 1.67,984 6.232,986 32.897,987 629.716,988 55,993 13.282,997 0.082,999 68.265,1000 76.892,1001 0.271,1002 0.619,1003 0.791,1004 0.856,1005 0.861,1006 0.861,1007 5.291,1008 1.978,1009 6.225,1010 6.091,1011 4.828,1012 5.335,1013 1.985,1014 7.071,1015 4.708,1016 6.499,1017 1.849,1018 7.805,1019 5.728,1020 4.443,1021 5.19,1022 0.766,1023 8.023,1024 4.284,1025 7.816,1026 1.49,1027 9.486,1028 5.412,1029 6.457,1030 7.563,1031 1.879,1032 11.161,1033 6.233,1034 9.17,1035 1.433,1036 11.225,1037 4.321,1038 6.899,1039 8.283,1040 0.931,1041 12.952,1042 6.638,1043 10.56,1044 1.298,1045 13.004,1046 3.914,1047 8.38,1048 10.139,1049 1.952,1050 15.614,1051 8.061,1052 11.975,1053 1.079,1054 14.809,1055 3.169,1056 9.202,1057 11.271,1058 1.142,1059 17.757,1060 8.839,1061 13.412,1062 1,1063 16.633,1064 2.624,1065 10.476,1066 12.922,1067 2.113,1068 20.26,1069 10.058,1070 3.333,1071 1,1072 18.473,1073 2.275,1074 11.478,1075 14.259,1076 1.436,1077 22.561,1078 11.011,1079 3.011,1080 11.765,1081 20.324,1082 2.275,1083 12.674,1084 15.829,1085 2.33,1086 25.013,1087 12.152,1088 2.865,1089 9.982,1090 22.185,1091 4.713,1092 13.763,1093 17.269,1094 1.783,1095 27.388,1096 13.185,1097 2.739,1098 9.566,1099 24.055,1100 3.928,1101 14.934,1102 18.812,1103 2.586,1104 29.827,1105 14.3,1106 2.501,1107 8.911,1108 25.931,1109 3.761,1110 16.067,1111 20.302,1112 2.156,1113 32.24,1114 15.373,1115 2.339,1116 7.904,1117 27.813,1118 3.443,1119 17.234,1120 21.839,1121 2.87,1122 34.681,1123 16.481,1124 2.25,1125 6.596,1126 29.7,1127 3.066,1128 18.389,1129 23.356,1130 2.541,1131 37.113,1132 17.574,1133 20951,1134 33518,1135 29.244,1136 45.978,1137 66.065,1138 66.844,1139 67.491,1140 65.523,1141 65.481,1142 83.347,1143 7.906,1144 193.608,1145 61.44,1146 5.75,1147 5.697,1148 6.755,1149 5.413,1150 5.333,1151 7.713,1152 2.293,1153 19.414,1154 5.126,1155 16.911,1156 1.536,1157 1.555,1158 1.57,1159 1.524,1160 1.523,1161 1.938,1162 0.184,1163 4.503,1164 1.429,1165 4.129,1166 4.149,1167 4.357,1168 4.114,1169 7.428,1170 4.074,1171 3.922,1172 3.965,1173 3.874,1174 3.819,1175 5.245,1176 3.824,1177 3.825,1178 3.881,1179 3.821,1180 3.673,1181 5.014,1182 3.684,1183 3.775,1184 3.833,1185 3.677,1186 3.593,1187 4.706,1188 3.604,1189 3.704,1190 3.751,1191 3.62,1192 3.516,1193 4.616,1194 3.525,1195 3.346,1196 3.407,1197 3.339,1198 3.141,1199 4.559,1200 3.167,1201 3.275,1202 3.352,1203 3.2,1204 3.045,1205 4.363,1206 3.065,1207 3.111,1208 3.206,1209 3.079,1210 2.941,1211 4.239,1212 2.91,1213 0.11,1214 0.086,1215 0.162,1216 0.099,1217 0.078,1218 4.75,1219 0.11,1220 3.697,1221 0.028,1222 6.953,1223 0.274,1224 4.271,1225 0.073,1226 3.333,1227 4.713,1228 1.2,1229 11.765,1230 3.126,1231 1.942,1232 1.923,1233 2.036,1234 2.062,1235 1.288,1236 2.049,1237 1.891,1238 1.858,1239 1.967,1240 2.047,1241 1.218,1242 2.033,1243 1.755,1244 1.686,1245 1.948,1246 1.943,1247 1.145,1248 1.956,1249 1.709,1250 1.659,1251 1.863,1252 1.931,1253 0.983,1254 1.914,1255 1.602,1256 1.556,1257 1.758,1258 1.785,1259 0.825,1260 1.774,1261 1.433,1262 1.418,1263 1.553,1264 1.567,1265 0.825,1266 1.587,1267 1.225,1268 1.15,1269 1.513,1270 1.502,1271 0.824,1272 1.519,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.706,1278 1.429,1279 4.466,1281 5.814,1282 2.398,1283 7.362,1284 4.844,1285 8.995,1286 7.05,1287 10.674,1289 4.176,1293 5.708,1295 6.098,1297 5.597,1300 6.445,1305 43.583,1306 112.359,1307 256.066,1308 327.418,1309 354.438,1310 356.438,1311 356.438,1312 59.295,1313 8.849,1314 113.6,1315 141.84,1316 35,1317 13.089,1318 4.585,1319 3.7,1320 52.856,1321 175,1322 206,1323 0.147,1324 266.68,1325 452.95,1326 642.458,1327 92620,1329 26.225,1330 0.69,1331 0.589,1332 26.579,1333 22.37,1334 18.474,1335 0.43,1336 0.316,1337 12.63,1338 17.243,1339 12.243,1340 10.058,1341 18.883,1342 13.593,1343 16.966,1344 0.274,1345 0.173,1346 17.555,1347 10.731,1348 15.036,1349 0.175,1350 0.099,1351 15.963,1352 8.476,1353 12.461,1354 0.107,1355 0.053,1356 13.491,1357 6.166,1358 10.807,1359 0.068,1360 0.029,1361 11.807,1362 4.533,1363 0.229,1364 120.366,1365 0.185,1366 34.083,1367 0.41,1368 210,1369 589.159,1370 256.147,1371 589.526,1372 820.42,1373 556,1374 253,1375 597.818,1376 302.861,1377 622.399,1378 924.8,1379 585,1380 8.699}
{0 CHEMBL1093334,1 1.572,2 14.795,3 3.606,4 13.003,5 147.642,6 7.903,7 0.489,8 4.326,9 4.431,10 3.957,11 3.876,12 5.428,13 3.879,14 4.883,15 5.03,16 4.367,17 4.303,18 5.979,19 4.293,20 5.148,21 5.333,22 4.389,23 4.427,24 6.218,25 4.382,26 5.156,27 5.375,28 4.313,29 4.399,30 6.176,31 4.333,32 5.092,33 5.283,34 4.346,35 4.367,36 6.217,37 4.322,38 5.136,39 5.328,40 4.368,41 4.387,42 6.229,43 4.346,44 5.113,45 5.297,46 4.385,47 4.368,48 6.324,49 4.325,50 5.113,51 5.327,52 4.168,53 4.319,54 6.12,55 4.24,56 0.066,57 0.99,58 12.116,59 5.772,60 9.836,61 6.997,62 0.373,63 1.662,64 24.22,65 9.933,66 30.378,67 12.284,68 0.663,69 2.034,70 35.56,71 13.198,72 60.648,73 16.641,74 0.488,75 2.058,76 37.245,77 13.857,78 51.485,79 18.482,80 0.539,81 1.905,82 33.691,83 12.837,84 60.841,85 16.521,86 0.632,87 1.98,88 35.705,89 13.03,90 62.466,91 16.582,92 0.851,93 1.912,94 34.673,95 13.077,96 95.156,97 16.881,98 0.572,99 1.861,100 36.756,101 13.608,102 66.197,103 17.43,104 10,105 66,106 0.245,107 0.614,108 0.769,109 0.831,110 0.849,111 0.854,112 3.693,113 0.872,114 -3.59,115 -3.56,116 -3.4,119 45.5,121 2,124 1,125 2,127 2,135 1,138 1,142 9,143 3,144 4,145 1,151 1,157 1,159 1,161 1,172 9,174 1,175 12,178 2,179 1,180 4,183 8,186 2,187 10,192 4,195 6,198 2,199 10,204 5,207 4,211 1,212 8,215 2,217 4,220 8,223 3,224 4,229 2,232 9,236 6,237 10,240 2,242 1,245 12,250 6,255 2,258 8,262 1,263 9,266 1,268 1,271 3,275 3049,276 26.789,277 26.789,278 26.789,279 26.789,280 26.789,281 23.753,282 34.088,283 15.561,284 27.34,285 22.298,286 22.298,287 22.298,288 22.298,289 22.298,290 17.561,291 48.001,292 7.505,293 23.229,294 4.473,295 2.097,296 1.103,297 0.701,298 0.587,299 0.557,300 4.419,305 1,306 1319,307 3.606,310 255.217,311 445.45,312 118.019,314 313.978,318 2.447,319 38.887,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84.5,331 577,332 4.737,333 3.731,334 7,335 4.286,336 3.32,337 4.707,338 1.656,339 11.961,340 3.215,341 4.514,342 3.56,343 6.695,344 4.152,345 3.173,346 4.126,347 0.86,348 10.803,349 3.105,350 4,351 3.417,352 6.134,353 3.817,354 2.887,355 3.483,356 0.86,357 9.065,358 2.679,359 3.98,360 3.168,361 5.679,362 3.638,363 2.672,364 3.328,365 0.8,366 7.752,367 2.573,368 3.862,369 2.776,370 5.63,371 3.435,372 2.461,373 3.272,374 0.247,375 7.612,376 2.396,377 3.646,378 2.711,379 5.522,380 3.367,381 2.434,382 2.929,384 7.326,385 2.268,386 3.6,387 2.556,388 5.336,389 3.167,390 2.196,391 2.763,393 6.728,394 2.124,395 3.383,396 2.473,397 5.23,398 2.955,399 1.963,400 2.66,402 6.054,403 1.934,404 3.229,405 2.211,406 4.879,407 2.839,408 1.879,409 2.448,411 5.638,412 1.794,413 3.033,414 2.093,415 4.854,416 2.802,417 1.823,418 2.177,420 5.137,421 1.77,422 2.931,423 1.927,424 4.727,425 2.621,426 1.692,427 2.013,428 4.959,429 1.568,430 2.879,431 1.804,432 4.607,433 2.563,434 1.61,435 1.98,436 4.694,437 1.522,438 2.847,439 1.519,440 4.131,441 2.38,442 1.385,443 1.879,445 3.221,446 1.374,447 2.669,448 1.335,449 3.727,450 2.181,451 1.208,452 1.741,454 2.992,455 1.173,456 2.5,457 1.244,458 3.571,459 2,460 1.046,461 1.5,463 2.71,464 1,465 18.333,466 0.47,467 1.003,468 0.026,469 53.5,470 1.372,471 26.5,472 0.679,473 27,474 0.692,475 33.741,476 0.865,477 40.467,478 0.613,479 44.805,480 1.149,481 10.401,482 0.267,483 8.612,484 0.221,485 0.064,487 0.398,493 0.792,494 1.309,495 0.707,496 1.042,497 0.572,498 0.885,499 0.923,500 1.054,501 0.838,502 0.966,503 0.569,504 0.893,505 1.16,506 1.097,507 1.047,508 0.995,509 0.87,510 1,511 0.873,512 0.992,513 0.933,514 0.986,515 0.818,516 0.965,517 0.996,518 1.059,519 0.942,520 1.023,521 1.216,522 0.982,523 1.147,524 0.998,525 1.002,526 0.975,527 1.282,528 0.96,529 0.859,530 1.035,531 0.925,532 1.025,533 0.77,534 0.999,535 1.213,536 0.951,537 1.086,538 0.989,539 1.118,540 1.014,541 8,542 0.248,543 3.556,544 3.778,545 1.604,546 1.48,547 0.933,548 0.748,549 0.476,550 0.36,551 27844,552 69301,553 2.216,554 40.9,556 19,557 1,558 1,559 2,561 4,564 1.793,565 2.108,566 3.798,567 0.136,573 103.732,574 1.572,575 3.947,576 4.941,577 5.343,578 5.457,579 5.488,580 3.267,581 5.029,582 5.253,583 4.02,584 2979.18,585 9.259,586 50407.2,591 398.93,592 1.296,593 5.233,594 0.178,595 0.006,596 0.054,597 0.058,598 0.027,599 0.024,600 0.015,601 0.012,602 0.009,603 0.008,604 0.39,605 0.33,606 0.75,607 0.42,608 218.792,609 -0.05,610 -0.176,611 0.067,612 -0.056,613 -0.04,614 0.013,615 0.021,616 0.046,617 0.032,618 -0.002,619 0.064,620 0.014,621 -0.082,622 -0.077,623 -0.09,624 -0.024,625 -0.005,626 -0.053,627 -0.03,628 0.012,629 0.041,630 -0.006,631 0.047,632 0.028,633 0.009,634 -0.054,635 0.017,636 -0.041,637 -0.023,638 -0.016,639 -0.051,640 0.015,641 -0.027,642 -0.007,643 -0.094,644 -0.008,645 0.259,646 -0.039,647 0.048,648 -0.045,649 0.268,650 -0.042,651 -0.16,652 -0.003,653 -0.081,654 0.008,655 -0.101,656 -0.015,657 2.06,658 6.383,659 0.821,660 49.741,661 1.008,662 1.12,663 2.361,664 5.574,665 0.685,666 3.829,667 4.205,668 4.533,669 4.883,670 5.124,671 5.263,672 5.485,673 5.673,674 5.826,675 5.994,676 8.599,677 0.663,678 521.62,679 3.829,680 5.407,681 6.29,682 7.2,683 8.098,684 9.013,685 9.919,686 10.837,687 11.749,688 12.669,689 7.6,695 1,696 2,697 1,699 1,703 2,704 11,705 1,709 6,710 1,711 22,716 1,726 1,729 1,731 66,733 25,734 2,735 45,737 72,738 30,739 19,740 4,741 8,742 3,746 7,747 10,751 1,755 4,758 4,761 23,762 7,766 3,771 2,773 1,775 3,781 27,782 8,783 2,784 9,790 5,794 0.571,795 4,801 1,805 1,807 1,811 3,812 4,813 1,815 2,831 2,839 1,840 4,844 1,848 39,854 4,855 2,856 2,858 2,859 1,870 6.1,873 2,874 1,875 1,877 18.5,878 12.183,879 8.222,880 4.003,881 4.9,882 1.513,883 1.049,884 6.057,885 14.459,886 4.094,887 4.721,888 5.336,889 5.97,890 6.515,891 6.854,892 7.34,893 7.79,894 8.133,895 8.58,896 0.9,897 65,898 14.499,900 6.477,901 7.705,902 27.792,904 23.977,905 2.205,906 86,910 294.278,911 169.36,912 57.83,914 72.29,917 169.36,918 366.567,919 57.83,920 8.396,921 45.302,922 103.81,923 101.939,924 47.528,925 16.047,926 270.735,928 294.278,929 227.19,930 72.29,933 247.193,934 108.374,935 11,937 57.964,938 137.721,939 31.505,941 294.278,942 130.12,943 169.36,946 294.278,947 48.106,948 126.277,949 36.022,950 89.075,951 294.278,952 130.12,953 169.36,955 0.592,956 0.35,957 0.201,958 0.108,959 36,960 15,961 0.056,962 4,963 4,964 1.219,965 4.97,966 414.837,967 0.25,968 31,969 196.131,974 24.25,975 9.741,976 4.557,977 1.832,978 128.221,979 20.069,980 4.617,984 3.997,985 1.972,986 36.022,987 593.758,988 59,993 25.816,995 1.792,997 -0.389,999 66.538,1000 73.896,1001 0.26,1002 0.653,1003 0.818,1004 0.884,1005 0.903,1006 0.908,1007 5.368,1008 1.963,1009 6.29,1010 6.728,1011 4.89,1012 5.409,1013 2.274,1014 7.143,1015 4.811,1016 6.582,1017 1.879,1018 7.867,1019 6.054,1020 4.511,1021 5.247,1022 1.305,1023 8.072,1024 4.395,1025 7.902,1026 1.823,1027 9.542,1028 5.638,1029 6.524,1030 7.619,1031 2.627,1032 11.226,1033 6.368,1034 9.254,1035 1.692,1036 11.274,1037 5.137,1038 6.967,1039 8.313,1040 2.354,1041 13.025,1042 6.778,1043 10.641,1044 1.61,1045 13.045,1046 4.959,1047 8.45,1048 10.172,1049 3.315,1050 15.698,1051 8.228,1052 12.054,1053 1.385,1054 14.844,1055 4.694,1056 9.283,1057 11.294,1058 3.414,1059 17.879,1060 9.03,1061 13.488,1062 1.208,1063 16.665,1064 3.221,1065 10.56,1066 12.947,1067 4.177,1068 20.397,1069 10.278,1070 3.32,1071 1.046,1072 18.504,1073 2.992,1074 11.577,1075 14.283,1076 4.466,1077 22.741,1078 11.266,1079 3.173,1080 11.961,1081 20.358,1082 2.71,1083 12.777,1084 15.856,1085 5.117,1086 25.211,1087 12.439,1088 2.887,1089 10.803,1090 22.224,1091 4.707,1092 13.878,1093 17.296,1094 5.504,1095 27.622,1096 13.513,1097 2.672,1098 9.065,1099 24.101,1100 4.126,1101 15.054,1102 18.839,1103 6.093,1104 30.082,1105 14.662,1106 2.461,1107 7.752,1108 25.987,1109 3.483,1110 16.193,1111 20.329,1112 6.531,1113 32.522,1114 15.776,1115 2.434,1116 7.612,1117 27.88,1118 3.328,1119 17.364,1120 21.865,1121 7.084,1122 34.982,1123 16.92,1124 2.196,1125 7.326,1126 29.779,1127 3.272,1128 18.523,1129 23.38,1130 7.551,1131 37.436,1132 18.052,1133 24914,1134 39517,1135 31.035,1136 45.222,1137 69.772,1138 71.57,1139 70.173,1140 68.886,1141 68.845,1142 88.829,1143 8.846,1144 205.954,1145 66.169,1146 5.737,1147 5.731,1148 6.802,1149 5.393,1150 5.32,1151 7.707,1152 2.912,1153 19.399,1154 5.215,1155 14.532,1156 1.55,1157 1.59,1158 1.559,1159 1.531,1160 1.53,1161 1.974,1162 0.197,1163 4.577,1164 1.47,1165 4.161,1166 4.196,1167 4.132,1168 4.049,1169 7.432,1170 4.065,1171 3.986,1172 4.004,1173 3.954,1174 3.888,1175 7.427,1176 3.9,1177 3.908,1178 3.947,1179 3.833,1180 3.82,1181 5.031,1182 3.817,1183 3.884,1184 3.918,1185 3.794,1186 3.732,1187 4.851,1188 3.739,1189 3.555,1190 3.584,1191 3.509,1192 3.408,1193 4.767,1194 3.423,1195 3.454,1196 3.516,1197 3.364,1198 3.258,1199 4.665,1200 3.278,1201 3.334,1202 3.377,1203 3.264,1204 3.093,1205 4.436,1206 3.136,1207 3.162,1208 3.251,1209 3.031,1210 2.951,1211 4.299,1212 2.957,1213 0.105,1214 0.083,1215 0.156,1216 0.095,1217 0.074,1218 4.737,1219 0.105,1220 3.731,1221 0.037,1222 7,1223 0.266,1224 4.286,1225 0.071,1226 3.32,1227 4.707,1228 1.656,1229 11.961,1230 3.215,1231 1.917,1232 1.89,1233 2.013,1234 2.053,1235 1.255,1236 2.036,1237 1.897,1238 1.87,1239 1.99,1240 2.013,1241 1.248,1242 2.01,1243 1.866,1244 1.842,1245 1.956,1246 1.952,1247 1.088,1248 1.957,1249 1.652,1250 1.614,1251 1.86,1252 1.867,1253 1.058,1254 1.851,1255 1.605,1256 1.554,1257 1.804,1258 1.792,1259 1.024,1260 1.798,1261 1.604,1262 1.543,1263 1.776,1264 1.76,1265 0.886,1266 1.786,1267 1.362,1268 1.322,1269 1.553,1270 1.582,1271 0.615,1272 1.559,1273 1.265,1274 1.223,1275 1.391,1276 1.563,1277 0.496,1278 1.523,1279 4.511,1281 5.872,1282 3.434,1283 7.416,1284 5.9,1285 9.046,1286 8.05,1287 10.724,1289 1.953,1295 3.864,1296 5.558,1297 12.034,1299 0.508,1300 2.377,1305 43.761,1306 103.732,1307 260.521,1308 326.136,1309 352.665,1310 360.175,1311 362.175,1312 63.973,1313 9.558,1314 101.63,1315 101.63,1316 39,1317 13.179,1318 4.7,1319 3.907,1320 50.61,1321 201,1322 229,1323 0.121,1324 258.687,1325 453.28,1326 622.957,1327 249079,1329 26.509,1330 0.68,1331 0.548,1332 26.509,1333 21.386,1334 19.013,1335 0.423,1336 0.291,1337 12.878,1338 18.249,1339 12.642,1340 10.369,1341 19.013,1342 13.075,1343 17.86,1344 0.271,1345 0.154,1346 17.86,1347 10.182,1348 15.524,1349 0.169,1350 0.081,1351 15.524,1352 7.493,1353 13.996,1354 0.107,1355 0.044,1356 13.996,1357 5.727,1358 11.45,1359 0.069,1360 0.024,1361 11.45,1362 3.952,1363 0.193,1364 119.372,1365 0.18,1366 35.334,1367 0.323,1368 222,1369 632.543,1370 245.279,1371 605.562,1372 844.61,1373 570,1374 269,1375 641.606,1376 293.669,1377 644.43,1378 956.2,1379 609,1380 6.303}
{0 CHEMBL1093368,1 1.56,2 11.563,3 3.179,4 10.109,5 122.617,6 8.163,7 0.611,8 4.076,9 4.179,10 3.727,11 3.658,12 5.266,13 3.659,14 4.567,15 4.71,16 4.108,17 4.052,18 5.754,19 4.042,20 4.764,21 4.917,22 4.185,23 4.169,24 5.965,25 4.145,26 4.834,27 5.003,28 4.179,29 4.194,30 6.021,31 4.161,32 4.842,33 4.998,34 4.174,35 4.196,36 6.041,37 4.161,38 4.891,39 5.07,40 4.191,41 4.169,42 6.185,43 4.128,44 4.831,45 5.024,46 4.032,47 4.093,48 5.982,49 4.039,50 4.78,51 4.98,52 3.857,53 3.985,54 5.906,55 3.917,56 0.056,57 0.75,58 8.613,59 4.323,60 7.41,61 5.053,62 0.293,63 1.213,64 16.4,65 7.14,66 22.883,67 8.642,68 0.337,69 1.397,70 21.349,71 9.229,72 41.584,73 11.082,74 0.415,75 1.501,76 23.867,77 9.652,78 48.734,79 11.628,80 0.347,81 1.476,82 23.506,83 10.1,84 44.061,85 11.877,86 0.657,87 1.55,88 26.43,89 10.441,90 82.921,91 13.092,92 0.396,93 1.438,94 25.791,95 10.235,96 50.088,97 12.615,98 0.497,99 1.342,100 25.711,101 9.654,102 66.134,103 11.449,104 20,105 52,106 0.255,107 0.613,108 0.76,109 0.856,110 0.875,111 0.875,112 3.503,113 0.843,114 -3.55,115 -3.52,116 -3.36,119 48.1,124 2,135 1,138 1,142 9,143 5,144 2,145 1,151 1,157 1,159 1,161 1,172 13,174 1,175 8,178 2,179 1,180 2,183 16,186 1,187 7,192 1,195 14,199 11,202 2,204 3,207 11,211 1,212 8,217 2,220 10,223 4,224 9,227 2,229 2,232 7,236 1,237 9,242 2,245 6,250 8,253 1,255 2,258 6,263 6,266 1,268 3,271 8,275 1656,276 21.938,277 21.938,278 21.938,279 21.938,280 21.938,281 18.913,282 18.314,283 12.799,284 22.297,285 17.726,286 17.726,287 17.726,288 17.726,289 17.726,290 13.002,291 24.118,292 6.003,293 18.242,294 4.14,295 1.943,296 1.039,297 0.452,298 0.337,299 0.337,300 4.211,304 1,305 1,306 814,307 3.391,310 124.115,311 249.405,314 241.392,318 1.59,319 30.351,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 69,331 370,332 4.749,333 3.76,334 7,335 4.3,336 3.322,337 4.726,338 1.656,339 11.955,340 3.254,341 4.581,342 3.529,343 6.888,344 4.215,345 3.234,346 4.218,347 0.86,348 11.491,349 3.173,350 4.058,351 3.309,352 6.065,353 3.656,354 2.676,355 3.641,356 0.247,357 8.686,358 2.623,359 3.885,360 2.79,361 5.797,362 3.484,363 2.521,364 3.284,366 7.896,367 2.421,368 3.619,369 2.694,370 5.404,371 3.216,372 2.24,373 2.876,375 6.648,376 2.173,377 3.437,378 2.53,379 5.242,380 2.976,381 2.003,382 2.832,384 6.129,385 1.938,386 3.349,387 2.15,388 4.912,389 2.889,390 1.902,391 2.669,393 5.401,394 1.877,395 3.24,396 1.97,397 4.833,398 2.841,399 1.881,400 2.444,402 5.184,403 1.787,404 2.934,405 1.759,406 4.433,407 2.428,408 1.463,409 2.08,411 3.96,412 1.407,413 2.863,414 1.488,415 4.23,416 2.4,417 1.42,418 2.004,420 3.604,421 1.387,422 2.673,423 1.343,424 3.716,425 2.175,426 1.196,427 1.748,428 2.844,429 1.169,430 2.552,431 1.208,432 3.57,433 2.04,434 1.052,435 1.5,436 2.51,437 1.027,438 2.5,439 1.101,440 3.501,441 2,442 1,443 1.48,445 2.375,446 1,447 2.358,448 1,449 3.247,450 1.894,451 0.935,452 1.274,454 2.136,455 0.891,456 1.523,457 0.987,458 3.049,459 1.319,460 0.381,461 0.414,463 0.575,464 0.355,465 15.1,466 0.472,467 0.781,468 0.024,469 46.75,470 1.461,471 25.5,472 0.797,473 21.25,474 0.664,475 23.236,476 0.726,477 32.3,478 0.621,479 38.827,480 1.213,481 9.56,482 0.299,483 6.003,484 0.188,485 0.11,487 0.391,493 0.761,494 1.205,495 0.695,496 0.961,497 0.575,498 0.835,499 0.751,500 0.832,501 0.748,502 0.811,503 0.57,504 0.773,505 0.965,506 1.078,507 0.868,508 0.988,509 0.896,510 0.926,511 1.081,512 0.957,513 0.977,514 0.941,515 1.065,516 0.935,517 1.181,518 1.113,519 1.037,520 1.11,521 1.195,522 1.067,523 0.826,524 1.044,525 0.933,526 1.044,527 0.944,528 1.016,529 1.141,530 1.032,531 1.011,532 1.039,533 0.891,534 1.015,535 1.495,536 0.932,537 1.205,538 0.969,539 1.465,540 1.036,541 5.5,542 0.196,543 3.556,544 3.396,545 1.543,546 1.393,547 0.888,548 0.576,549 0.419,550 0.243,551 13560,552 37635,553 2.135,554 38.5,556 16,557 1,558 1,559 2,564 1.749,565 2,566 3.47,567 0.177,569 1,573 81.133,574 1.56,575 3.757,576 4.661,577 5.248,578 5.364,579 5.364,580 2.887,581 4.601,582 4.971,583 3.617,584 1793.83,585 8.721,586 25220.9,588 1,591 296.423,592 1.406,593 4.933,594 0.153,595 0.007,596 0.068,597 0.062,598 0.029,599 0.026,600 0.017,601 0.013,602 0.011,603 0.007,604 0.393,605 0.5,606 0.88,607 1,608 165.679,609 -0.059,610 -0.119,611 0.046,612 -0.026,613 -0.072,614 0.02,615 0.094,616 0.248,617 0.088,618 0.126,619 0.048,620 0.113,621 0.008,622 -0.08,623 0.026,624 -0.016,625 0.006,626 0.005,627 -0.062,628 0.059,629 -0.053,630 0.02,631 -0.05,632 -0.005,633 -0.101,634 -0.138,635 -0.119,636 -0.134,637 -0.11,638 -0.133,639 0.285,640 -0.058,641 0.04,642 -0.074,643 0.197,644 -0.064,645 -0.069,646 -0.08,647 -0.017,648 -0.048,649 0.019,650 -0.029,651 -0.235,652 0.009,653 -0.17,654 0.022,655 -0.199,656 -0.053,657 2.073,658 6.202,659 0.75,660 29.75,661 1.009,662 1.114,663 2.32,664 5.383,665 0.701,666 3.611,667 3.97,668 4.317,669 4.663,670 4.913,671 5.037,672 5.236,673 5.407,674 5.513,675 5.642,676 6.677,677 0.682,678 424.49,679 3.611,680 5.176,681 6.061,682 6.973,683 7.88,684 8.8,685 9.716,686 10.64,687 11.561,688 12.488,689 7.7,696 2,697 1,699 1,703 2,704 11,705 1,709 6,710 1,711 22,716 1,729 1,731 52,733 25,734 2,735 36,737 56,738 25,739 19,740 4,741 8,742 3,746 5,747 7,751 1,761 23,762 2,766 3,771 2,773 1,775 3,778 1,781 20,782 6,783 2,784 7,790 4,794 0.6,795 3,805 1,807 1,811 2,812 3,815 2,831 2,840 3,844 2,848 32,855 2,856 1,870 5.8,873 2,875 1,877 16,878 10.15,879 7,880 2.982,881 5.114,882 1.601,883 1.037,884 5.097,885 13.624,886 3.932,887 4.588,888 5.258,889 5.927,890 6.511,891 6.901,892 7.413,893 7.9,894 8.279,895 8.732,896 0.875,897 55,898 11.825,900 5.157,901 7.807,902 22.26,904 18.415,905 2.307,906 73.833,909 1,910 211.88,911 169.334,912 54.706,914 61.29,917 169.334,918 273.17,919 54.706,920 16.793,921 36.022,922 103.81,923 90.939,924 45.262,925 16.047,926 188.338,928 211.88,929 224.04,930 61.29,933 211.88,934 61.29,937 48.683,938 143.851,939 31.505,941 211.88,942 115.996,943 169.334,946 211.88,947 39.683,948 131.549,949 36.022,950 78.075,951 211.88,952 115.996,953 169.334,955 0.584,956 0.356,957 0.204,958 0.115,959 27,960 12,961 0.054,962 3,963 2,964 1.167,965 4.195,966 314.959,967 0.167,968 24,969 156,974 20.191,975 8.079,976 3.533,977 1.743,978 114.097,979 20.844,980 4.53,984 4.06,985 1.93,986 36.022,987 497.209,988 50,993 24.985,995 1.739,997 -0.494,999 52.458,1000 57.943,1001 0.274,1002 0.659,1003 0.818,1004 0.921,1005 0.941,1006 0.941,1007 5.179,1008 1.881,1009 6.061,1010 5.401,1011 4.654,1012 5.276,1013 1.985,1014 6.938,1015 4.601,1016 6.416,1017 1.463,1018 7.657,1019 5.184,1020 4.29,1021 5.147,1022 1.195,1023 7.962,1024 4.223,1025 7.748,1026 1.42,1027 9.356,1028 3.96,1029 6.301,1030 7.557,1031 2.508,1032 11.135,1033 6.202,1034 9.121,1035 1.196,1036 11.117,1037 3.604,1038 6.792,1039 8.295,1040 2.324,1041 13.031,1042 6.681,1043 10.528,1044 1.052,1045 12.919,1046 2.844,1047 8.273,1048 10.17,1049 3.275,1050 15.725,1051 8.136,1052 11.962,1053 1,1054 14.75,1055 2.51,1056 9.155,1057 11.327,1058 3.407,1059 17.969,1060 9.005,1061 13.418,1062 0.935,1063 16.603,1064 2.375,1065 10.438,1066 12.989,1067 4.165,1068 20.508,1069 10.267,1070 3.322,1071 0.381,1072 18.472,1073 2.136,1074 11.495,1075 14.348,1076 4.464,1077 22.888,1078 11.306,1079 3.234,1080 11.955,1081 20.354,1082 0.575,1083 12.708,1084 15.925,1085 5.114,1086 25.377,1087 12.5,1088 2.676,1089 11.491,1090 22.246,1091 4.726,1092 13.838,1093 17.378,1094 5.504,1095 27.809,1096 13.612,1097 2.521,1098 8.686,1099 24.147,1100 4.218,1101 15.029,1102 18.925,1103 6.092,1104 30.281,1105 14.784,1106 2.24,1107 7.896,1108 26.054,1109 3.641,1110 16.191,1111 20.423,1112 6.531,1113 32.734,1114 15.927,1115 2.003,1116 6.648,1117 27.967,1118 3.284,1119 17.377,1120 21.961,1121 7.084,1122 35.201,1123 17.093,1124 1.902,1125 6.129,1126 29.884,1127 2.876,1128 18.553,1129 23.48,1130 7.551,1131 37.663,1132 18.25,1133 12761,1134 21417,1135 24.274,1136 36.477,1137 55.021,1138 57.284,1139 57.107,1140 54.417,1141 54.449,1142 74.377,1143 5.526,1144 162.787,1145 52.966,1146 5.612,1147 5.76,1148 6.802,1149 5.374,1150 5.322,1151 7.726,1152 2.912,1153 19.353,1154 5.254,1155 14.94,1156 1.528,1157 1.591,1158 1.586,1159 1.512,1160 1.512,1161 2.066,1162 0.154,1163 4.522,1164 1.471,1165 4.164,1166 4.195,1167 4.138,1168 4.075,1169 7.433,1170 4.087,1171 3.986,1172 3.999,1173 3.958,1174 3.895,1175 7.426,1176 3.906,1177 3.844,1178 3.88,1179 3.776,1180 3.768,1181 5.039,1182 3.767,1183 3.578,1184 3.635,1185 3.514,1186 3.39,1187 4.85,1188 3.402,1189 3.47,1190 3.513,1191 3.388,1192 3.25,1193 4.721,1194 3.284,1195 3.391,1196 3.448,1197 3.289,1198 3.217,1199 4.433,1200 3.231,1201 3.083,1202 3.167,1203 2.963,1204 2.904,1205 4.295,1206 2.907,1207 3.061,1208 3.118,1209 2.899,1210 2.835,1211 4.196,1212 2.839,1213 0.132,1214 0.104,1215 0.194,1216 0.119,1217 0.092,1218 4.749,1219 0.131,1220 3.76,1221 0.046,1222 7,1223 0.332,1224 4.3,1225 0.09,1226 3.322,1227 4.726,1228 1.656,1229 11.955,1230 3.254,1231 1.994,1232 1.973,1233 2.074,1234 2.069,1235 1.211,1236 2.07,1237 1.881,1238 1.862,1239 1.963,1240 1.984,1241 1.086,1242 1.976,1243 1.751,1244 1.722,1245 1.86,1246 1.892,1247 0.946,1248 1.886,1249 1.652,1250 1.608,1251 1.792,1252 1.809,1253 0.885,1254 1.808,1255 1.425,1256 1.351,1257 1.697,1258 1.742,1259 0.687,1260 1.727,1261 1.367,1262 1.323,1263 1.556,1264 1.57,1265 0.614,1266 1.56,1267 1.077,1268 1.036,1269 1.285,1270 1.325,1271 0.32,1272 1.324,1273 0.988,1274 0.92,1275 1.187,1276 1.229,1277 0.218,1278 1.221,1279 4.29,1281 5.638,1282 3.045,1283 7.186,1284 5.533,1285 8.827,1286 7.727,1287 10.521,1289 3.435,1296 5.168,1297 5.893,1305 35.444,1306 81.133,1307 195.364,1308 242.384,1309 272.913,1310 278.913,1311 278.913,1312 53.613,1313 8.51,1314 89.16,1315 89.16,1316 28,1317 12.993,1318 4.7,1319 3.907,1320 45.535,1321 129,1322 140,1323 0.175,1324 214.722,1325 371.71,1326 515.681,1327 64562,1329 22.242,1330 0.695,1331 0.548,1332 22.242,1333 17.547,1334 15.563,1335 0.432,1336 0.281,1337 9.975,1338 14.997,1339 9.711,1340 8.082,1341 15.563,1342 10.12,1343 14.075,1344 0.271,1345 0.143,1346 14.075,1347 7.441,1348 12.471,1349 0.169,1350 0.073,1351 12.471,1352 5.43,1353 10.951,1354 0.104,1355 0.038,1356 10.951,1357 3.968,1358 9.125,1359 0.068,1360 0.02,1361 9.125,1362 2.724,1363 0.27,1364 97.428,1365 0.203,1366 29.404,1367 0.493,1368 176,1369 523.163,1370 191.991,1371 507.96,1372 705.93,1373 476,1374 214,1375 533.489,1376 230.742,1377 541.255,1378 800.41,1379 510,1380 5}
{0 CHEMBL1093437,1 1.547,2 12.242,3 2.974,4 8.842,5 124.84,6 7.636,7 0.432,8 4.205,9 4.298,10 3.789,11 3.697,12 5.33,13 3.706,14 4.757,15 4.907,16 4.161,17 4.1,18 5.834,19 4.099,20 4.985,21 5.161,22 4.217,23 4.244,24 6.076,25 4.206,26 5.054,27 5.26,28 4.168,29 4.261,30 6.213,31 4.18,32 5.041,33 5.269,34 4.03,35 4.176,36 6.015,37 4.085,38 4.945,39 5.169,40 4.051,41 4.115,42 5.987,43 4.049,44 4.89,45 5.078,46 4.081,47 4.132,48 5.936,49 4.084,50 4.938,51 5.119,52 4.12,53 4.18,54 6.032,55 4.125,56 0.119,57 0.815,58 11.951,59 5.648,60 14.296,61 6.701,62 0.407,63 1.35,64 23.745,65 8.979,66 28.809,67 11.094,68 0.686,69 1.618,70 31.509,71 11.645,72 53.583,73 14.795,74 0.798,75 1.704,76 34.634,77 13.318,78 94.823,79 17.91,80 0.669,81 1.613,82 36.044,83 13.064,84 66.208,85 17.631,86 0.631,87 1.528,88 32.199,89 11.284,90 69.002,91 15.486,92 0.646,93 1.466,94 29.145,95 10.584,96 48.748,97 13.718,98 0.598,99 1.516,100 30.131,101 11.632,102 57.1,103 14.905,104 18,105 53,106 0.25,107 0.609,108 0.785,109 0.855,110 0.866,111 0.866,112 3.532,113 0.892,114 -2.51,115 -2.54,116 -2.48,119 42.4,121 1,124 1,125 6,135 1,138 1,142 5,143 3,144 4,151 1,152 1,157 1,172 4,175 11,180 4,183 7,186 2,187 7,195 5,198 1,199 6,202 3,203 1,204 2,207 7,211 2,212 4,217 1,220 7,223 1,224 6,227 1,229 2,232 3,236 2,237 8,242 2,245 3,249 1,250 4,253 1,255 2,258 4,262 2,263 4,266 1,268 2,271 3,275 2102,276 22.541,277 22.541,278 22.541,279 22.541,280 22.541,281 20.353,282 28.835,283 13.167,284 23.249,285 18.232,286 18.232,287 18.232,288 18.232,289 18.232,290 14.655,291 34.817,292 6.222,293 19.28,294 4.336,295 2.114,296 1.023,297 0.589,298 0.521,299 0.521,300 4.24,304 1,305 1,306 889,307 3.317,310 135.799,311 281.974,314 260.696,318 1.947,319 40.624,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73,331 404,332 4.681,333 3.76,334 6.88,335 4.258,336 3.281,337 4.637,338 0.86,339 11.436,340 3.206,341 4.578,342 3.25,343 6.759,344 4.16,345 3.187,346 4.248,347 0.86,348 11.108,349 3.101,350 3.92,351 2.922,352 5.777,353 3.474,354 2.527,355 3.366,356 0.86,357 7.812,358 2.419,359 3.753,360 2.885,361 5.533,362 3.442,363 2.503,364 3.188,365 0.8,366 7.134,367 2.315,368 3.546,369 2.746,370 5.338,371 3.329,372 2.398,373 2.887,375 6.954,376 2.229,377 3.506,378 2.583,379 5.289,380 3.129,381 2.161,382 2.614,384 6.584,385 2.084,386 3.342,387 2.301,388 5.138,389 2.943,390 2.009,391 2.519,393 6.024,394 1.864,395 3.201,396 2.251,397 4.963,398 2.77,399 1.812,400 2.428,402 5.525,403 1.722,404 3.006,405 2.157,406 4.783,407 2.627,408 1.664,409 2.171,411 4.933,412 1.594,413 2.722,414 1.92,415 4.239,416 2.404,417 1.512,418 1.681,420 3.411,421 1.345,422 2.563,423 1.693,424 3.819,425 2.215,426 1.239,427 1.556,428 3.236,429 1.191,430 2.388,431 1.256,432 3.648,433 2.039,434 1.087,435 1.335,436 2.725,437 1.024,438 2.053,439 1.207,440 3.295,441 1.952,442 1,443 1.014,445 2.136,446 0.946,447 2,448 1.071,449 3.247,450 1.837,451 0.881,452 1,454 2.067,455 0.836,456 1.628,457 0.9,458 3.045,459 1.341,460 0.473,461 0.528,463 0.752,464 0.406,465 15.3,466 0.464,467 0.815,468 0.025,469 41.25,470 1.25,471 19,472 0.576,473 22.25,474 0.674,475 28.969,476 0.878,477 36.3,478 0.615,479 34.301,480 1.039,481 8.317,482 0.252,483 7.713,484 0.234,485 0.098,487 0.379,493 0.892,494 1.339,495 0.764,496 1.133,497 0.79,498 0.956,499 1.111,500 1.032,501 0.882,502 0.898,503 0.639,504 0.83,505 1.014,506 0.988,507 0.992,508 0.96,509 0.856,510 0.96,511 0.536,512 1.04,513 0.893,514 1.105,515 0.536,516 1.081,517 0.822,518 0.998,519 0.908,520 0.993,521 0.88,522 0.982,523 0.746,524 1.005,525 0.822,526 0.914,527 0.62,528 0.885,529 0.952,530 0.96,531 0.973,532 0.925,533 0.856,534 0.939,535 0.902,536 1.083,537 0.983,538 1.089,539 0.92,540 1.06,541 6.5,542 0.233,543 3.333,544 3.306,545 1.659,546 1.202,547 0.67,548 0.639,549 0.453,550 0.344,551 15905,552 43596,553 2.131,554 44.1,556 21,557 1,559 2,562 2,564 1.756,565 2,566 3.555,567 0.192,569 1,573 91.258,574 1.547,575 3.768,576 4.86,577 5.294,578 5.361,579 5.361,580 3.068,581 4.802,582 5.011,583 3.749,584 1979.24,585 8.801,586 29580.1,588 1,591 347.076,592 1.393,593 4.979,594 0.176,595 0.007,596 0.063,597 0.061,598 0.034,599 0.028,600 0.015,601 0.014,602 0.009,603 0.008,604 0.415,605 0.33,606 0.88,607 0.675,608 174.695,609 -0.081,610 -0.174,611 0.049,612 -0.054,613 -0.08,614 0.01,615 -0.165,616 0.095,617 0.023,618 0.102,619 0.005,620 0.113,621 -0.066,622 0.072,623 -0.055,624 0.034,625 -0.002,626 0.004,627 0.226,628 -0.029,629 0.044,630 -0.097,631 0.3,632 -0.07,633 0.011,634 -0.045,635 0.071,636 0.002,637 -0.021,638 0.037,639 0.055,640 0.004,641 0.146,642 0.065,643 0.141,644 0.116,645 -0.042,646 0.09,647 -0.028,648 0.064,649 -0.052,650 0.032,651 -0.006,652 -0.061,653 -0.048,654 -0.076,655 -0.004,656 -0.072,657 2.085,658 5.864,659 0.727,660 37.124,661 1.013,662 1.123,663 1.282,664 1.645,665 0.659,666 3.638,667 3.989,668 4.304,669 4.625,670 4.844,671 4.984,672 5.147,673 5.323,674 5.442,675 5.583,676 7.312,677 0.638,678 450.53,679 3.638,680 5.198,681 6.071,682 6.971,683 7.861,684 8.77,685 9.67,686 10.585,687 11.491,688 12.409,689 3.4,692 1,697 1,703 2,704 6,709 6,710 1,711 16,716 1,728 2,729 2,731 59,733 18,734 2,735 37,737 63,738 25,739 14,740 7,741 5,742 3,746 5,747 7,758 1,761 17,762 8,766 2,771 1,773 1,775 2,778 1,781 26,782 7,783 2,784 8,790 2,794 0.6,795 6,807 1,811 2,812 3,815 2,831 2,836 1,839 1,840 3,844 1,848 33,853 2,854 7,856 3,859 1,870 10.2,872 2,873 1,874 1,875 2,877 16.5,878 10.8,879 7.194,880 3.519,881 3.86,882 1.461,883 0.965,884 6.231,885 12.224,886 3.871,887 4.497,888 5.134,889 5.772,890 6.316,891 6.739,892 7.166,893 7.62,894 7.945,895 8.371,896 1,897 54,898 12.28,900 5.396,901 7.823,902 23.331,904 19.567,905 2.323,906 76.667,909 1,910 282.506,911 128.882,912 5.023,914 143.511,917 128.882,918 426.018,919 5.023,920 10.883,921 20.142,922 65.905,923 131.888,924 46.454,925 13.915,926 270.735,928 282.506,929 133.906,930 143.511,933 258.964,934 156.054,935 11,937 25.166,938 94.02,939 14.72,941 282.506,942 148.535,943 128.882,946 282.506,947 52.094,948 81.811,950 143.511,951 282.506,952 148.535,953 128.882,955 0.584,956 0.349,957 0.196,958 0.105,959 27,960 12,961 0.095,962 6,963 2,964 1.167,965 4.408,966 316.899,967 0.167,968 24,969 162.465,974 22.133,975 9.29,976 4.427,977 1.973,978 146.636,979 10.343,984 1.279,985 2.178,986 85.367,987 559.923,988 47,993 12.864,995 1.68,997 -0.32,999 59.771,1000 66.235,1001 0.263,1002 0.641,1003 0.826,1004 0.9,1005 0.911,1006 0.911,1007 5.136,1008 1.812,1009 6.066,1010 6.024,1011 4.673,1012 5.185,1013 1.856,1014 6.913,1015 4.576,1016 6.351,1017 1.664,1018 7.643,1019 5.525,1020 4.29,1021 5.112,1022 0.325,1023 7.861,1024 4.164,1025 7.677,1026 1.512,1027 9.32,1028 4.933,1029 6.297,1030 7.438,1031 1.557,1032 11.005,1033 6.133,1034 9.041,1035 1.239,1036 11.057,1037 3.411,1038 6.746,1039 8.218,1040 0.268,1041 12.82,1042 6.567,1043 10.441,1044 1.087,1045 12.833,1046 3.236,1047 8.226,1048 10.042,1049 1.308,1050 15.489,1051 8.016,1052 11.868,1053 1,1054 14.637,1055 2.725,1056 9.069,1057 11.22,1058 0.188,1059 17.672,1060 8.847,1061 13.315,1062 0.881,1063 16.463,1064 2.136,1065 10.347,1066 12.852,1067 1.087,1068 20.181,1069 10.101,1070 3.281,1071 0.473,1072 18.307,1073 2.067,1074 11.374,1075 14.215,1076 0.125,1077 22.513,1078 11.114,1079 3.187,1080 11.436,1081 20.166,1082 0.752,1083 12.578,1084 15.772,1085 0.89,1086 24.967,1087 12.296,1088 2.527,1089 11.108,1090 22.035,1091 4.637,1092 13.687,1093 17.219,1094 0.082,1095 27.357,1096 13.388,1097 2.503,1098 7.812,1099 23.915,1100 4.248,1101 14.867,1102 18.749,1103 0.718,1104 29.792,1105 14.547,1106 2.398,1107 7.134,1108 25.802,1109 3.366,1110 16.012,1111 20.233,1112 0.054,1113 32.203,1114 15.673,1115 2.161,1116 6.954,1117 27.695,1118 3.188,1119 17.186,1120 21.754,1121 0.571,1122 34.632,1123 16.826,1124 2.009,1125 6.584,1126 29.594,1127 2.887,1128 18.348,1129 23.257,1130 0.035,1131 37.052,1132 17.967,1133 14854,1134 24827,1135 24.967,1136 38.875,1137 55.999,1138 57.824,1139 57.562,1140 55.549,1141 55.52,1142 70.409,1143 6.76,1144 163.812,1145 52.615,1146 5.681,1147 5.76,1148 6.682,1149 5.361,1150 5.281,1151 7.637,1152 1.72,1153 18.675,1154 5.206,1155 15.424,1156 1.513,1157 1.563,1158 1.556,1159 1.501,1160 1.501,1161 1.903,1162 0.183,1163 4.427,1164 1.422,1165 4.162,1166 4.19,1167 4.13,1168 4.074,1169 7.428,1170 4.084,1171 3.975,1172 3.974,1173 3.951,1174 3.877,1175 6.492,1176 3.893,1177 3.813,1178 3.875,1179 3.69,1180 3.606,1181 6.445,1182 3.616,1183 3.574,1184 3.618,1185 3.495,1186 3.435,1187 4.977,1188 3.444,1189 3.505,1190 3.53,1191 3.416,1192 3.35,1193 4.755,1194 3.354,1195 3.336,1196 3.375,1197 3.209,1198 3.14,1199 4.627,1200 3.154,1201 3.134,1202 3.206,1203 2.98,1204 2.941,1205 4.581,1206 2.922,1207 3.111,1208 3.206,1209 2.902,1210 2.919,1211 4.135,1212 2.91,1213 0.127,1214 0.102,1215 0.186,1216 0.115,1217 0.089,1218 4.681,1219 0.125,1220 3.76,1221 0.023,1222 6.88,1223 0.309,1224 4.258,1225 0.087,1226 3.281,1227 4.637,1228 0.86,1229 11.436,1230 3.206,1231 1.942,1232 1.924,1233 2.03,1234 2.049,1235 1.316,1236 2.045,1237 1.851,1238 1.845,1239 1.972,1240 1.983,1241 1.182,1242 1.981,1243 1.774,1244 1.716,1245 1.911,1246 1.952,1247 1.095,1248 1.937,1249 1.662,1250 1.62,1251 1.834,1252 1.848,1253 1.035,1254 1.844,1255 1.481,1256 1.441,1257 1.668,1258 1.668,1259 0.825,1260 1.664,1261 1.237,1262 1.19,1263 1.568,1264 1.52,1265 0.815,1266 1.535,1267 1.185,1268 1.136,1269 1.513,1270 1.429,1271 0.599,1272 1.429,1273 1.153,1274 1.064,1275 1.385,1276 1.376,1277 0.536,1278 1.416,1279 4.317,1281 5.659,1282 3.045,1283 7.192,1284 5.533,1285 8.815,1286 7.727,1287 10.488,1289 1.619,1294 19.815,1295 6.302,1297 16.525,1300 2.408,1305 37.653,1306 91.258,1307 222.328,1308 286.711,1309 312.321,1310 316.321,1311 316.321,1312 64.931,1313 8.364,1314 97.3,1315 97.3,1316 28,1317 12.921,1318 4.248,1319 3.459,1320 47.684,1321 140,1322 163,1323 0.16,1324 224.831,1325 397.54,1326 540.349,1327 53808,1329 22.949,1330 0.695,1331 0.558,1332 22.949,1333 18.413,1334 16.029,1335 0.433,1336 0.297,1337 10.793,1338 15.205,1339 10.595,1340 8.671,1341 16.029,1342 11.005,1343 14.588,1344 0.275,1345 0.156,1346 14.588,1347 8.246,1348 12.612,1349 0.173,1350 0.084,1351 12.612,1352 6.12,1353 11.149,1354 0.11,1355 0.044,1356 11.149,1357 4.44,1358 8.691,1359 0.069,1360 0.024,1361 8.691,1362 3.006,1363 0.251,1364 102.026,1365 0.2,1366 30.633,1367 0.443,1368 180,1369 566.532,1370 200.772,1371 528.406,1372 718.93,1373 496,1374 216,1375 524.433,1376 237.83,1377 525.552,1378 777.29,1379 494,1380 7.377}
{0 CHEMBL1093445,1 1.575,2 9.6,3 3.814,4 14.543,5 110.11,6 8.705,7 0.647,8 3.988,9 4.055,10 3.674,11 3.56,12 5.277,13 3.584,14 4.434,15 4.527,16 4.066,17 3.944,18 5.697,19 3.967,20 4.633,21 4.741,22 4.142,23 4.039,24 5.929,25 4.051,26 4.716,27 4.856,28 4.128,29 4.037,30 6.099,31 4.027,32 4.681,33 4.827,34 4.04,35 3.997,36 5.898,37 3.984,38 4.657,39 4.808,40 4.071,41 4.02,42 5.921,43 4.003,44 4.694,45 4.842,46 4.054,47 4,48 5.929,49 3.988,50 4.669,51 4.818,52 4.028,53 3.932,54 5.976,55 3.926,56 0.168,57 0.592,58 6.859,59 4.057,60 18.331,61 3.846,62 0.269,63 0.943,64 11.827,65 6.381,66 20.921,67 6.368,68 0.489,69 1.132,70 15.906,71 7.844,72 45.125,73 7.759,74 0.755,75 1.25,76 19.219,77 8.639,78 81.235,79 9.482,80 0.572,81 1.177,82 19.555,83 8.635,84 59.045,85 9.186,86 0.481,87 1.178,88 18.409,89 8.542,90 53.53,91 9.793,92 0.6,93 1.22,94 19.35,95 8.435,96 50.383,97 8.952,98 0.655,99 1.16,100 19.637,101 8.413,102 60.2,103 9.151,104 18,105 50,106 0.263,107 0.636,108 0.793,109 0.89,110 0.907,111 0.907,112 3.442,113 0.805,114 -2.11,115 -2.16,116 -2.14,119 50,124 1,135 1,136 1,142 7,143 3,144 5,145 2,152 2,157 1,172 6,175 11,180 5,183 9,187 8,190 1,192 1,195 8,198 1,199 5,202 2,203 2,204 5,207 9,211 2,212 5,217 2,220 9,224 6,227 1,228 1,229 4,232 7,236 2,237 5,242 4,245 6,249 1,250 4,253 3,255 5,258 6,263 2,266 1,268 4,271 4,275 1518,276 20.472,277 20.472,278 20.472,279 20.472,280 20.472,281 17.491,282 18.689,283 11.801,284 20.864,285 16.743,286 16.743,287 16.743,288 16.743,289 16.743,290 12.139,291 22.41,292 5.565,293 17.319,294 3.949,295 1.72,296 0.781,297 0.207,298 0.103,299 0.103,300 4.15,304 1,305 1,306 637,307 2.828,310 112.961,311 227.507,314 220.53,318 1.293,319 38.983,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66,331 288,332 4.722,333 3.433,334 6.907,335 4.29,336 3.306,337 4.685,338 0.86,339 11.601,340 3.252,341 4.606,342 3.339,343 6.836,344 4.193,345 3.211,346 4.267,347 0.6,348 11.313,349 3.15,350 4.039,351 2.843,352 6.014,353 3.625,354 2.646,355 3.616,357 8.543,358 2.592,359 3.878,360 2.683,361 5.735,362 3.457,363 2.487,364 3.377,366 7.667,367 2.407,368 3.647,369 2.493,370 5.271,371 3.217,372 2.269,373 3.06,375 6.589,376 2.144,377 3.458,378 2.307,379 5.168,380 3.025,381 2.066,382 2.824,384 6.148,385 1.971,386 3.353,387 2.043,388 5.112,389 2.902,390 1.93,391 2.651,393 5.87,394 1.869,395 3.183,396 1.915,397 4.946,398 2.741,399 1.77,400 2.428,402 5.401,403 1.713,404 3.087,405 1.829,406 4.505,407 2.588,408 1.628,409 2.27,411 4.287,412 1.561,413 2.671,414 1.483,415 4.25,416 2.206,417 1.256,418 1.709,420 3.433,421 1.186,422 2.547,423 1.244,424 3.709,425 2.063,426 1.096,427 1.53,428 2.767,429 1.055,430 2.5,431 1.069,432 3.441,433 1.956,434 1,435 1.5,436 2.136,437 0.953,438 2.345,439 1,440 3.247,441 1.753,442 0.796,443 1.162,445 2.018,446 0.757,447 1.695,448 0.843,449 3.056,450 1.356,451 0.469,452 0.555,454 0.811,455 0.412,456 1.257,457 0.294,458 2.825,459 0.937,460 -0.017,461 -0.021,463 -0.042,464 -0.016,465 13.967,466 0.466,467 0.798,468 0.027,469 45.25,470 1.508,471 25.5,472 0.85,473 19.75,474 0.658,475 20.831,476 0.694,477 30.433,478 0.662,479 36.285,480 1.209,481 9.145,482 0.305,483 5.401,484 0.18,485 0.107,487 0.43,493 0.977,494 0.995,495 0.703,496 0.858,497 1.027,498 0.743,499 0.945,500 1.02,501 0.706,502 0.895,503 0.676,504 0.768,505 1.068,506 1.098,507 0.927,508 1.01,509 1.009,510 0.948,511 0.743,512 0.999,513 0.93,514 1.024,515 0.681,516 1.018,517 1.076,518 0.985,519 0.994,520 0.967,521 1.094,522 0.966,523 0.729,524 1.047,525 0.816,526 1.005,527 0.603,528 0.951,529 1.021,530 1.021,531 1.028,532 1.008,533 0.953,534 1.01,535 0.993,536 1.011,537 0.959,538 1.02,539 0.939,540 0.995,541 6,542 0.167,543 3.333,544 3.181,545 1.899,546 1.175,547 0.737,548 0.61,549 0.488,550 0.308,551 11042,552 34054,553 2.145,554 34.8,556 11,558 2,559 3,564 1.736,565 2,566 3.239,567 0.867,569 1,573 72.432,574 1.575,575 3.803,576 4.743,577 5.317,578 5.42,579 5.42,580 2.588,581 4.548,582 4.879,583 3.392,584 1475.62,585 8.556,586 19841.4,588 1,590 1,591 254.084,592 1.429,593 4.837,594 0.176,595 0.008,596 0.067,597 0.061,598 0.039,599 0.026,600 0.015,601 0.013,602 0.011,603 0.009,604 0.426,605 0.5,606 0.88,607 0.715,608 150.645,609 -0.147,610 0.003,611 -0.005,612 0.078,613 -0.214,614 0.075,615 -0.116,616 -0.008,617 0.053,618 0.043,619 -0.029,620 0.085,621 -0.092,622 -0.103,623 -0.089,624 -0.064,625 -0.099,626 -0.073,627 0.213,628 0.01,629 -0.011,630 -0.07,631 0.256,632 -0.089,633 -0.088,634 -0.012,635 -0.049,636 0.008,637 -0.14,638 -0.01,639 0.076,640 -0.062,641 0.097,642 -0.029,643 0.146,644 0.023,645 -0.051,646 -0.012,647 -0.093,648 -0.052,649 -0.091,650 -0.072,651 0.059,652 -0.03,653 0.016,654 -0.05,655 0.05,656 -0.039,657 1.939,658 4.67,659 0.8,660 25.293,661 1.022,662 1.108,663 0.883,664 0.78,665 0.709,666 3.555,667 3.932,668 4.277,669 4.625,670 4.883,671 5.056,672 5.242,673 5.447,674 5.561,675 5.656,676 6.009,677 0.702,678 400.41,679 3.555,680 5.13,681 6.019,682 6.934,683 7.843,684 8.767,685 9.684,686 10.612,687 11.534,688 12.464,689 4.3,698 1,699 1,703 2,704 9,705 1,707 1,709 8,711 22,714 1,728 3,729 1,731 46,733 24,734 2,735 34,737 50,738 23,739 19,740 7,741 5,742 3,746 5,747 7,761 22,762 1,766 2,773 1,774 1,775 2,778 1,780 1,781 16,782 7,783 3,784 7,790 2,794 0.6,795 5,805 1,811 2,812 3,815 2,831 1,832 1,840 3,844 1,848 30,853 3,856 1,870 10.9,872 3,875 2,877 15,878 8.667,879 6.472,880 2.508,881 5.212,882 1.633,883 0.977,884 4.404,885 13.447,886 3.871,887 4.567,888 5.259,889 5.936,890 6.528,891 6.961,892 7.473,893 8.007,894 8.432,895 8.876,896 1,897 52,898 11.077,900 4.946,901 7.933,902 20.522,904 17.152,905 2.433,906 73,909 1,910 153.024,911 137.96,912 33.571,914 148.557,917 137.96,918 301.582,919 33.571,920 10.883,922 75.81,923 171.135,924 75.517,925 10.285,926 129.482,928 153.024,929 171.531,930 148.557,933 153.024,934 148.557,937 34.88,938 110.388,939 26.262,941 153.024,942 182.128,943 137.96,946 153.024,947 33.172,948 104.788,950 182.128,951 153.024,952 182.128,953 137.96,955 0.59,956 0.358,957 0.205,958 0.114,959 27,960 12,961 0.06,962 3,963 2,964 1.167,965 4.016,966 293.001,967 0.167,968 24,969 145.207,974 18.578,975 7.111,976 3.113,977 0.295,978 182.128,979 15.113,980 4.174,982 5.73,984 2.489,986 128.05,987 473.112,988 47,995 1.656,996 4.73,997 1.369,999 47.025,1000 50.95,1001 0.285,1002 0.689,1003 0.859,1004 0.963,1005 0.981,1006 0.981,1007 5.127,1008 1.77,1009 6.028,1010 5.87,1011 4.615,1012 5.255,1013 1.163,1014 6.907,1015 4.555,1016 6.381,1017 1.628,1018 7.626,1019 5.401,1020 4.29,1021 5.156,1023 7.908,1024 4.205,1025 7.722,1026 1.256,1027 9.323,1028 4.287,1029 6.271,1030 7.567,1031 0.856,1032 11.068,1033 6.174,1034 9.102,1035 1.096,1036 11.078,1037 3.433,1038 6.77,1039 8.302,1041 12.917,1042 6.651,1043 10.514,1044 1,1045 12.871,1046 2.767,1047 8.237,1048 10.183,1049 0.643,1050 15.601,1051 8.11,1052 11.951,1053 0.796,1054 14.691,1055 2.136,1056 9.115,1057 11.324,1059 17.804,1060 8.968,1061 13.408,1062 0.469,1063 16.531,1064 2.018,1065 10.391,1066 12.988,1067 0.49,1068 20.327,1069 10.235,1070 3.306,1071 -0.017,1072 18.388,1073 0.811,1074 11.44,1075 14.33,1077 22.673,1078 11.266,1079 3.211,1080 11.601,1081 20.257,1082 -0.042,1083 12.648,1084 15.904,1085 0.375,1086 25.141,1087 12.462,1088 2.646,1089 11.313,1090 22.137,1091 4.685,1092 13.772,1093 17.343,1095 27.544,1096 13.569,1097 2.487,1098 8.543,1099 24.025,1100 4.267,1101 14.958,1102 18.884,1103 0.286,1104 29.993,1105 14.741,1106 2.269,1107 7.667,1108 25.92,1109 3.616,1110 16.114,1111 20.369,1113 32.417,1114 15.88,1115 2.066,1116 6.589,1117 27.821,1118 3.377,1119 17.294,1120 21.899,1121 0.218,1122 34.86,1123 17.045,1124 1.93,1125 6.148,1126 29.726,1127 3.06,1128 18.465,1129 23.407,1131 37.295,1132 18.199,1133 10341,1134 18306,1135 22.887,1136 32.614,1137 52.751,1138 52.694,1139 54.041,1140 51.893,1141 51.858,1142 71.269,1143 2.92,1144 157.168,1145 50.046,1146 5.55,1147 5.433,1148 6.709,1149 5.326,1150 5.306,1151 7.685,1152 1.72,1153 18.949,1154 5.252,1155 14.244,1156 1.552,1157 1.55,1158 1.589,1159 1.526,1160 1.525,1161 2.096,1162 0.086,1163 4.623,1164 1.472,1165 4.137,1166 4.139,1167 4.118,1168 4.043,1169 6.505,1170 4.059,1171 4.006,1172 4.02,1173 3.979,1174 3.924,1175 6.463,1176 3.936,1177 3.809,1178 3.845,1179 3.751,1180 3.716,1181 6.44,1182 3.72,1183 3.52,1184 3.537,1185 3.464,1186 3.403,1187 5.045,1188 3.413,1189 3.343,1190 3.369,1191 3.279,1192 3.153,1193 4.947,1194 3.179,1195 3.145,1196 3.209,1197 2.978,1198 2.922,1199 4.845,1200 2.924,1201 3.021,1202 3.028,1203 2.94,1204 2.803,1205 4.584,1206 2.825,1207 2.909,1208 2.962,1209 2.803,1210 2.777,1211 4.12,1212 2.778,1213 0.139,1214 0.101,1215 0.203,1216 0.126,1217 0.097,1218 4.722,1219 0.138,1220 3.433,1221 0.025,1222 6.907,1223 0.341,1224 4.29,1225 0.096,1226 3.306,1227 4.685,1228 0.86,1229 11.601,1230 3.252,1231 1.897,1232 1.891,1233 1.968,1234 1.994,1235 1.119,1236 1.977,1237 1.88,1238 1.868,1239 1.947,1240 1.972,1241 1.082,1242 1.969,1243 1.849,1244 1.817,1245 1.945,1246 1.961,1247 0.995,1248 1.958,1249 1.56,1250 1.547,1251 1.651,1252 1.718,1253 0.729,1254 1.69,1255 1.212,1256 1.182,1257 1.561,1258 1.508,1259 0.57,1260 1.523,1261 1.179,1262 1.124,1263 1.286,1264 1.383,1265 0.354,1266 1.351,1267 0.945,1268 0.932,1269 1.123,1270 1.208,1271 0.198,1272 1.155,1273 0.897,1274 0.855,1275 1.087,1276 1.121,1277 0.128,1278 1.101,1279 4.234,1281 5.595,1282 3.045,1283 7.151,1284 5.533,1285 8.797,1286 7.735,1287 10.492,1289 1.587,1294 30.501,1297 5.355,1305 32.304,1306 72.432,1307 174.948,1308 218.168,1309 244.574,1310 249.329,1311 249.329,1312 55.148,1313 8.235,1314 108.84,1315 108.84,1316 28,1317 12.967,1318 4.644,1319 3.807,1320 41.233,1321 104,1322 108,1323 0.188,1324 192.868,1325 335.33,1326 462.359,1327 43376,1329 20.828,1330 0.694,1331 0.528,1332 20.828,1333 15.826,1334 14.546,1335 0.428,1336 0.268,1337 8.972,1338 13.936,1339 8.787,1340 7.247,1341 14.546,1342 9.119,1343 13.455,1344 0.269,1345 0.136,1346 13.455,1347 6.796,1348 11.876,1349 0.167,1350 0.07,1351 11.876,1352 4.948,1353 10.648,1354 0.105,1355 0.035,1356 10.648,1357 3.557,1358 8.548,1359 0.065,1360 0.018,1361 8.548,1362 2.41,1363 0.286,1364 91.848,1365 0.209,1366 27.606,1367 0.548,1368 168,1369 535.21,1370 184.839,1371 513.654,1372 708.52,1373 480,1374 205,1375 532.839,1376 222.396,1377 538.942,1378 795.34,1379 507,1380 9}
{0 CHEMBL1093446,1 1.549,2 9.4,3 3.085,4 9.515,5 92.881,6 8.434,7 0.571,8 3.84,9 3.911,10 3.501,11 3.379,12 5.099,13 3.404,14 4.317,15 4.429,16 3.902,17 3.77,18 5.553,19 3.797,20 4.493,21 4.592,22 3.972,23 3.879,24 5.812,25 3.888,26 4.598,27 4.746,28 3.916,29 3.859,30 6.002,31 3.83,32 4.527,33 4.704,34 3.683,35 3.706,36 5.71,37 3.663,38 4.39,39 4.575,40 3.653,41 3.592,42 5.65,43 3.569,44 4.275,45 4.406,46 3.585,47 3.537,48 5.543,49 3.533,50 4.294,51 4.458,52 3.514,53 3.492,54 5.581,55 3.46,56 0.142,57 0.518,58 6.496,59 3.692,60 14.013,61 3.722,62 0.295,63 0.839,64 12.429,65 5.841,66 20.261,67 6.143,68 0.456,69 0.958,70 14.657,71 7.16,72 42.691,73 7.266,74 0.686,75 1.063,76 18.599,77 8.177,78 77.373,79 9.58,80 0.565,81 0.965,82 19.41,83 7.743,84 54.512,85 8.926,86 0.498,87 0.856,88 17.255,89 6.715,90 59.059,91 8.163,92 0.506,93 0.757,94 13.632,95 5.499,96 37.788,97 5.537,98 0.47,99 0.775,100 14.637,101 5.948,102 49.133,103 6.825,104 27,105 42,106 0.27,107 0.664,108 0.811,109 0.87,110 0.888,111 0.888,112 3.268,113 0.815,114 -3.11,115 -3.11,116 -2.99,119 47.5,124 2,135 1,138 1,142 5,143 3,144 4,151 1,152 1,157 1,172 4,175 9,180 4,183 7,186 1,187 7,195 5,199 6,202 3,203 1,204 2,207 4,211 2,212 3,217 1,220 4,223 1,224 3,227 1,229 2,232 3,236 1,237 3,242 2,245 3,249 1,250 3,253 1,255 2,258 3,263 1,266 1,268 2,271 2,275 809,276 16.696,277 16.696,278 16.696,279 16.696,280 16.696,281 14.456,282 18.38,283 9.391,284 17.128,285 13.738,286 13.738,287 13.738,288 13.738,289 13.738,290 10.148,291 21.723,292 4.385,293 14.364,294 3.773,295 1.519,296 0.678,297 0.338,298 0.238,299 0.238,300 3.96,303 1,304 1,305 1,306 513,307 2.739,310 95.273,311 122.827,314 183.199,318 1.296,319 33.615,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55.5,331 235,332 4.673,333 3.76,334 6.88,335 4.255,336 3.278,337 4.631,338 0.86,339 11.428,340 3.205,341 4.575,342 3.23,343 6.73,344 4.148,345 3.174,346 4.248,347 0.86,348 10.966,349 3.093,350 3.919,351 2.921,352 5.764,353 3.471,354 2.503,355 3.366,357 7.759,358 2.418,359 3.735,360 2.735,361 5.441,362 3.313,363 2.378,364 3.172,366 6.874,367 2.219,368 3.516,369 2.577,370 5.289,371 3.092,372 2.127,373 2.871,375 6.497,376 2.043,377 3.334,378 2.298,379 5.137,380 2.927,381 1.992,382 2.606,384 6.004,385 1.851,386 3.193,387 2.174,388 4.957,389 2.75,390 1.787,391 2.422,393 5.482,394 1.707,395 2.952,396 1.855,397 4.671,398 2.505,399 1.552,400 2.115,402 4.599,403 1.471,404 2.711,405 1.651,406 4.232,407 2.202,408 1.227,409 1.658,411 3.383,412 1.178,413 2.349,414 1.073,415 3.68,416 1.922,417 0.949,418 1.275,420 2.45,421 0.917,422 1.633,423 0.952,424 3.045,425 1.34,426 0.474,427 0.531,428 0.745,429 0.407,430 1.437,431 0.716,432 2.816,433 0.964,434 -0.016,435 -0.022,436 -0.044,437 -0.015,438 1.173,439 0.124,440 2.723,441 0.761,442 -0.189,443 -0.242,445 -0.498,446 -0.177,447 0.88,448 -0.071,449 2.522,450 0.488,451 -0.462,452 -0.58,454 -1.083,455 -0.426,456 0.794,457 -0.191,458 2.393,459 0.423,460 -0.52,461 -0.639,463 -1.221,464 -0.484,465 11.567,466 0.463,467 0.784,468 0.031,469 35.5,470 1.42,471 19,472 0.76,473 16.5,474 0.66,475 16.992,476 0.68,477 26.233,478 0.656,479 27.611,480 1.104,481 7.274,482 0.291,483 4.699,484 0.188,485 0.173,487 0.467,493 0.897,494 1.118,495 0.702,496 0.96,497 0.835,498 0.816,499 0.966,500 0.891,501 0.676,502 0.786,503 0.617,504 0.665,505 1.059,506 1.119,507 0.968,508 1.08,509 0.992,510 1.016,511 0.636,512 1.132,513 0.931,514 1.163,515 0.633,516 1.134,517 1.034,518 0.996,519 1.063,520 1.042,521 1.109,522 1.064,523 0.813,524 0.965,525 0.787,526 0.911,527 0.727,528 0.86,529 1.306,530 0.967,531 1.183,532 0.945,533 1.138,534 1.003,535 0.944,536 1.108,537 1.052,538 1.109,539 1.197,540 1.114,541 6,542 0.09,543 3.111,544 3.243,545 1.543,546 1.06,547 0.535,548 0.417,549 0.327,550 0.209,551 6760,552 21035,553 2.081,554 37.5,556 12,557 1,559 2,564 1.683,565 1.899,566 3.211,567 0.273,568 1,569 1,571 1,573 61.954,574 1.549,575 3.803,576 4.644,577 4.984,578 5.084,579 5.084,580 2.615,581 4.404,582 4.619,583 3.331,584 999.322,585 7.999,586 11733.8,587 1,588 1,589 1,590 1,591 212.877,592 1.516,593 4.552,594 0.214,595 0.008,596 0.074,597 0.075,598 0.041,599 0.035,600 0.018,601 0.015,602 0.013,603 0.011,604 0.505,605 0.5,606 1,607 0.836,608 118.692,609 -0.117,610 -0.069,611 0.015,612 0.015,613 -0.155,614 0.042,615 -0.126,616 0.171,617 0.135,618 0.176,619 0.006,620 0.227,621 -0.093,622 -0.116,623 -0.139,624 -0.109,625 -0.088,626 -0.131,627 0.254,628 -0.147,629 -0.006,630 -0.188,631 0.287,632 -0.172,633 -0.059,634 -0.043,635 -0.06,636 -0.06,637 -0.132,638 -0.066,639 0.093,640 0.005,641 0.225,642 0.071,643 0.171,644 0.156,645 -0.185,646 0.042,647 -0.251,648 0.005,649 -0.152,650 -0.104,651 0.026,652 -0.13,653 -0.077,654 -0.141,655 -0.055,656 -0.143,657 2.09,658 5.533,659 0.72,660 18.426,661 1.023,662 1.111,663 1.879,664 3.531,665 0.69,666 3.367,667 3.761,668 4.094,669 4.431,670 4.635,671 4.779,672 4.905,673 5.03,674 5.094,675 5.165,676 5.592,677 0.682,678 337.35,679 3.367,680 4.949,681 5.838,682 6.758,683 7.663,684 8.588,685 9.499,686 10.425,687 11.339,688 12.265,689 2.5,697 1,703 2,704 6,709 6,710 1,711 16,716 1,728 2,729 2,731 40,733 18,734 2,735 28,737 43,738 19,739 14,740 7,741 5,742 3,746 4,747 6,761 17,762 2,766 2,771 1,773 1,775 2,777 1,778 1,781 15,782 5,783 2,784 6,790 1,794 0.5,795 5,807 1,811 2,812 2,815 2,831 2,840 2,844 2,848 25,853 2,856 2,870 12.5,872 2,873 1,875 2,877 13.167,878 7.933,879 5.361,880 2.153,881 3.929,882 1.512,883 0.968,884 3.65,885 11.596,886 3.664,887 4.366,888 5.041,889 5.698,890 6.242,891 6.653,892 7.06,893 7.495,894 7.799,895 8.208,896 1,897 43,898 9.252,900 4.126,901 8.007,902 17.081,904 14.218,905 2.507,906 62.667,909 1,910 153.024,911 117.136,912 1.899,914 132.511,917 117.136,918 285.536,919 1.899,920 19.279,922 65.905,923 120.889,924 43.33,925 13.915,926 141.253,928 153.024,929 119.035,930 132.511,933 153.024,934 132.511,937 1.899,938 102.417,939 14.72,941 153.024,942 134.41,943 117.136,946 153.024,947 31.952,948 87.083,950 132.511,951 153.024,952 134.41,953 117.136,955 0.599,956 0.365,957 0.206,958 0.109,959 23,960 11,961 0.047,962 2,963 2,964 1.222,965 3.592,966 221.195,967 0.222,968 18,969 116.096,974 15.903,975 5.738,976 2.533,977 1.893,978 132.511,979 9.997,984 1.232,985 1.942,986 85.367,987 404.571,988 38,993 12.533,995 1.626,997 -0.335,999 40.924,1000 44.452,1001 0.291,1002 0.715,1003 0.873,1004 0.937,1005 0.955,1006 0.955,1007 4.934,1008 1.552,1009 5.866,1010 5.482,1011 4.443,1012 5.053,1013 1.376,1014 6.753,1015 4.365,1016 6.198,1017 1.227,1018 7.476,1019 4.599,1020 4.205,1021 5.075,1023 7.766,1024 4.094,1025 7.551,1026 0.949,1027 9.18,1028 3.383,1029 6.116,1030 7.381,1031 1.159,1032 10.908,1033 5.984,1034 8.94,1035 0.474,1036 10.938,1037 2.45,1038 6.661,1039 8.196,1041 12.746,1042 6.503,1043 10.358,1044 -0.016,1045 12.73,1046 0.745,1047 8.093,1048 10.017,1049 0.963,1050 15.42,1051 7.919,1052 11.799,1053 -0.189,1054 14.548,1055 -0.044,1056 8.994,1057 11.206,1059 17.609,1060 8.797,1061 13.257,1062 -0.462,1063 16.385,1064 -0.498,1065 10.252,1066 12.837,1067 0.787,1068 20.12,1069 10.04,1070 3.278,1071 -0.52,1072 18.237,1073 -1.083,1074 11.31,1075 14.203,1077 22.452,1078 11.076,1079 3.174,1080 11.428,1081 20.102,1082 -1.221,1083 12.508,1084 15.76,1085 0.634,1086 24.905,1087 12.256,1088 2.503,1089 10.966,1090 21.978,1091 4.631,1092 13.633,1093 17.206,1095 27.291,1096 13.358,1097 2.378,1098 7.759,1099 23.862,1100 4.248,1101 14.812,1102 18.735,1103 0.504,1104 29.723,1105 14.517,1106 2.127,1107 6.874,1108 25.753,1109 3.366,1110 15.964,1111 20.219,1113 32.131,1114 15.647,1115 1.992,1116 6.497,1117 27.649,1118 3.172,1119 17.138,1120 21.738,1121 0.395,1122 34.556,1123 16.8,1124 1.787,1125 6.004,1126 29.55,1127 2.871,1128 18.303,1129 23.24,1131 36.973,1132 17.942,1133 6482,1134 11569,1135 18.323,1136 27.608,1137 43.484,1138 45.06,1139 45.651,1140 42.893,1141 42.882,1142 57.79,1143 3.44,1144 132.375,1145 41.016,1146 5.493,1147 5.76,1148 6.426,1149 5.323,1150 5.278,1151 7.631,1152 1.72,1153 18.649,1154 5.205,1155 14.041,1156 1.553,1157 1.609,1158 1.63,1159 1.532,1160 1.532,1161 2.064,1162 0.123,1163 4.728,1164 1.465,1165 4.154,1166 4.18,1167 4.122,1168 4.067,1169 7.428,1170 4.077,1171 3.974,1172 3.974,1173 3.951,1174 3.877,1175 6.492,1176 3.893,1177 3.554,1178 3.581,1179 3.49,1180 3.431,1181 6.445,1182 3.44,1183 3.444,1184 3.472,1185 3.371,1186 3.246,1187 4.982,1188 3.27,1189 3.161,1190 3.25,1191 2.998,1192 2.941,1193 4.755,1194 2.945,1195 3.096,1196 3.134,1197 2.928,1198 2.891,1199 4.592,1200 2.883,1201 2.978,1202 2.992,1203 2.885,1204 2.76,1205 4.135,1206 2.784,1207 2.756,1208 2.838,1209 2.611,1210 2.617,1211 4.04,1212 2.603,1213 0.167,1214 0.134,1215 0.246,1216 0.152,1217 0.117,1218 4.673,1219 0.165,1220 3.76,1221 0.031,1222 6.88,1223 0.408,1224 4.255,1225 0.114,1226 3.278,1227 4.631,1228 0.86,1229 11.428,1230 3.205,1231 1.938,1232 1.922,1233 2.015,1234 2.03,1235 1.173,1236 2.025,1237 1.85,1238 1.845,1239 1.911,1240 1.952,1241 1.037,1242 1.937,1243 1.665,1244 1.631,1245 1.8,1246 1.834,1247 0.904,1248 1.825,1249 1.384,1250 1.343,1251 1.604,1252 1.62,1253 0.643,1254 1.607,1255 1.187,1256 1.138,1257 1.522,1258 1.471,1259 0.558,1260 1.485,1261 1.048,1262 0.987,1263 1.25,1264 1.257,1265 0.312,1266 1.256,1267 0.864,1268 0.849,1269 1.057,1270 1.114,1271 0.104,1272 1.076,1273 0.81,1274 0.776,1275 1.032,1276 1.105,1277 0.094,1278 1.073,1279 4.043,1281 5.416,1282 3.045,1283 6.976,1284 5.533,1285 8.625,1286 7.719,1287 10.322,1289 3.504,1294 19.456,1297 10.819,1305 27.283,1306 61.954,1307 152.106,1308 185.758,1309 199.367,1310 203.367,1311 203.367,1312 47.748,1313 7.667,1314 84.83,1315 84.83,1316 22,1317 12.772,1318 4.248,1319 3.459,1320 35.85,1321 85,1322 82,1323 0.213,1324 163.88,1325 286.31,1326 391.628,1327 21444,1329 17.715,1330 0.709,1331 0.544,1332 17.715,1333 13.608,1334 11.974,1335 0.428,1336 0.272,1337 7.465,1338 11.394,1339 7.254,1340 6.006,1341 11.974,1342 7.61,1343 11.37,1344 0.271,1345 0.139,1346 11.37,1347 5.856,1348 9.894,1349 0.168,1350 0.072,1351 9.894,1352 4.251,1353 8.882,1354 0.107,1355 0.037,1356 8.882,1357 3.063,1358 6.732,1359 0.066,1360 0.019,1361 6.732,1362 1.988,1363 0.327,1364 76.165,1365 0.234,1366 23.777,1367 0.608,1368 140,1369 463.151,1370 155.479,1371 438.184,1372 597.09,1373 408,1374 171,1375 443.332,1376 187.23,1377 447.8,1378 659.87,1379 419,1380 6.975}
{0 CHEMBL1093448,1 1.524,2 12.886,3 3.389,4 11.483,5 136.657,6 7.237,7 0.41,8 4.298,9 4.407,10 3.839,11 3.789,12 5.384,13 3.781,14 4.859,15 5.039,16 4.225,17 4.2,18 5.874,19 4.182,20 5.094,21 5.28,22 4.313,23 4.384,24 6.139,25 4.333,26 5.244,27 5.465,28 4.269,29 4.442,30 6.32,31 4.335,32 5.241,33 5.494,34 4.154,35 4.362,36 6.14,37 4.248,38 5.147,39 5.382,40 4.185,41 4.307,42 6.139,43 4.218,44 5.125,45 5.344,46 4.198,47 4.314,48 6.105,49 4.245,50 5.107,51 5.29,52 4.243,53 4.375,54 6.156,55 4.296,56 0.067,57 0.94,58 14.413,59 6.207,60 11.973,61 8.007,62 0.307,63 1.557,64 27.872,65 9.724,66 24.199,67 13.315,68 0.536,69 1.881,70 35.907,71 13.046,72 43.734,73 17.535,74 0.743,75 2.06,76 42.993,77 16.339,78 96.562,79 22.737,80 0.593,81 1.974,82 44.583,83 15.791,84 62.382,85 22.378,86 0.549,87 1.861,88 39.774,89 13.929,90 68.662,91 19.756,92 0.709,93 1.822,94 39.097,95 13.188,96 60.412,97 18.038,98 0.467,99 1.853,100 36.187,101 14.118,102 50.963,103 18.894,104 38,105 57,106 0.241,107 0.566,108 0.753,109 0.831,110 0.86,111 0.86,112 3.589,113 0.918,114 -2.92,115 -2.92,116 -2.82,119 40.9,120 1,121 1,124 2,125 6,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 12,180 4,183 8,186 2,187 7,195 7,198 1,199 6,202 3,203 1,204 2,207 10,211 2,212 5,217 1,220 8,223 1,224 9,227 1,229 2,232 4,236 2,237 8,242 2,245 4,249 1,250 4,253 1,255 3,258 5,262 2,263 5,266 1,268 3,271 3,275 2456,276 23.541,277 23.541,278 23.541,279 23.541,280 23.541,281 21.273,282 31.08,283 13.477,284 24.215,285 19.155,286 19.155,287 19.155,288 19.155,289 19.155,290 15.492,291 38.679,292 6.331,293 20.161,294 4.52,295 2.465,296 1.286,297 0.792,298 0.61,299 0.61,300 4.292,305 1,306 986,307 3.464,310 145.969,311 302.173,314 280.594,318 2.073,319 39.209,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 76.5,331 451,332 4.771,333 3.761,334 7.021,335 4.323,336 3.351,337 4.739,338 0.86,339 11.993,340 3.259,341 4.587,342 3.399,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.944,352 5.825,353 3.541,354 2.619,355 3.395,356 0.8,357 7.909,358 2.426,359 3.83,360 2.922,361 5.694,362 3.479,363 2.512,364 3.281,365 0.8,366 7.505,367 2.412,368 3.62,369 2.799,370 5.568,371 3.411,372 2.465,373 2.899,375 7.152,376 2.327,377 3.538,378 2.584,379 5.411,380 3.145,381 2.182,382 2.624,384 6.923,385 2.097,386 3.346,387 2.485,388 5.166,389 3.015,390 2.098,391 2.611,393 6.032,394 1.92,395 3.271,396 2.3,397 5.14,398 2.939,399 2.007,400 2.532,402 6.003,403 1.859,404 3.196,405 2.239,406 4.957,407 2.858,408 1.905,409 2.421,411 5.692,412 1.805,413 3.105,414 2.132,415 4.889,416 2.756,417 1.792,418 2.109,420 5.499,421 1.712,422 2.732,423 1.856,424 4.26,425 2.267,426 1.286,427 1.678,428 3.436,429 1.258,430 2.493,431 1.382,432 3.885,433 2.223,434 1.243,435 1.475,436 3.032,437 1.199,438 2.144,439 1.146,440 3.589,441 1.967,442 1,443 1.092,445 2.275,446 0.965,447 2,448 1.11,449 3.414,450 1.875,451 0.907,452 1,454 2.263,455 0.873,456 1.675,457 0.929,458 3.234,459 1.422,460 0.523,461 0.581,463 1.117,464 0.462,465 16.367,466 0.468,467 0.993,468 0.028,469 42.5,470 1.214,471 19,472 0.543,473 23.5,474 0.671,475 34.456,476 0.984,477 38.833,478 0.588,479 36.245,480 1.036,481 8.513,482 0.243,483 8.337,484 0.238,485 0.153,487 0.409,493 0.892,494 1.432,495 0.815,496 1.17,497 0.79,498 1.008,499 1.03,500 1.011,501 0.833,502 0.846,503 0.564,504 0.784,505 1.011,506 0.987,507 1.013,508 0.995,509 0.817,510 0.988,511 0.531,512 1.077,513 0.926,514 1.149,515 0.507,516 1.116,517 0.766,518 0.943,519 0.862,520 0.956,521 0.796,522 0.934,523 0.759,524 1.057,525 0.849,526 0.993,527 0.564,528 0.944,529 1.126,530 0.819,531 0.981,532 0.817,533 1.02,534 0.855,535 0.881,536 1.228,537 1.062,538 1.241,539 0.873,540 1.197,541 7.5,542 0.303,543 4.222,544 3.965,545 2.09,546 1.449,547 0.93,548 0.779,549 0.562,550 0.413,551 18069,552 44926,553 2.089,554 47,556 24,559 2,560 3,562 2,564 1.771,565 1.927,566 3.601,567 0.162,573 100.603,574 1.524,575 3.58,576 4.758,577 5.253,578 5.434,579 5.434,580 3.111,581 4.844,582 5.095,583 3.799,584 2260.21,585 8.973,586 34886.1,591 398.93,592 1.489,593 5.047,594 0.192,595 0.008,596 0.074,597 0.066,598 0.039,599 0.03,600 0.018,601 0.015,602 0.01,603 0.009,604 0.461,605 0.33,606 0.75,607 0.729,608 188.293,609 -0.064,610 -0.221,611 0.055,612 -0.063,613 -0.074,614 0.001,615 -0.118,616 0.151,617 0.106,618 0.155,619 0.051,620 0.181,621 -0.063,622 0.117,623 -0.068,624 0.017,625 0.019,626 -0.012,627 0.237,628 -0.076,629 0.015,630 -0.123,631 0.287,632 -0.097,633 0.042,634 0.008,635 0.111,636 0.036,637 0.005,638 0.077,639 0.075,640 -0.061,641 0.118,642 -0.001,643 0.16,644 0.056,645 -0.085,646 0.203,647 0.007,648 0.161,649 -0.071,650 0.115,651 0.01,652 -0.179,653 -0.13,654 -0.194,655 0.003,656 -0.191,657 2.073,658 6.005,659 0.686,660 41.215,661 1.005,662 1.127,663 1.688,664 2.85,665 0.651,666 3.689,667 4.06,668 4.382,669 4.7,670 4.942,671 5.081,672 5.242,673 5.421,674 5.525,675 5.67,676 7.515,677 0.621,678 477.61,679 3.689,680 5.263,681 6.142,682 7.05,683 7.949,684 8.865,685 9.774,686 10.695,687 11.61,688 12.535,689 4.5,692 2,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 66,733 18,734 2,735 39,737 70,738 27,739 14,740 7,741 5,742 3,746 5,747 7,752 1,758 1,761 17,762 10,766 2,771 1,773 1,775 2,781 31,782 7,783 2,784 8,790 3,794 0.6,795 5,807 1,811 2,812 3,815 2,831 2,836 2,840 3,844 3,848 35,853 2,854 7,856 2,859 2,870 7.6,872 2,873 1,875 2,877 18.167,878 12.75,879 7.583,880 3.965,881 3.857,882 1.455,883 0.963,884 6.704,885 12.341,886 3.912,887 4.551,888 5.188,889 5.832,890 6.389,891 6.811,892 7.243,893 7.698,894 8.007,895 8.421,896 0.889,897 60,898 13.035,900 5.689,901 7.752,902 24.985,904 20.996,905 2.252,906 78.833,910 341.362,911 134.84,912 8.148,914 132.511,917 134.84,918 473.873,919 8.148,920 28.105,921 15.169,922 56.857,923 120.889,924 49.578,925 4.901,926 341.362,928 341.362,929 142.987,930 132.511,933 317.82,934 156.054,937 32.142,938 96.126,939 14.72,941 341.362,942 140.659,943 134.84,946 341.362,947 49.878,948 93.11,950 132.511,951 341.362,952 140.659,953 134.84,955 0.592,956 0.356,957 0.196,958 0.108,959 29,960 14,961 0.086,962 6,963 2,964 1.167,965 4.47,966 347.167,967 0.167,968 24,969 175.525,974 24.038,975 9.761,976 4.624,977 2.033,978 138.76,979 8.455,984 2.407,985 2.285,986 85.367,987 616.861,988 49,993 13.005,995 1.729,997 -0.293,999 66.312,1000 74.355,1001 0.252,1002 0.592,1003 0.787,1004 0.869,1005 0.899,1006 0.899,1007 5.193,1008 2.007,1009 6.155,1010 6.032,1011 4.745,1012 5.239,1013 1.771,1014 7.022,1015 4.653,1016 6.42,1017 1.905,1018 7.751,1019 6.003,1020 4.443,1021 5.223,1022 0.57,1023 8.019,1024 4.306,1025 7.755,1026 1.792,1027 9.444,1028 5.692,1029 6.395,1030 7.503,1031 1.413,1032 11.166,1033 6.232,1034 9.128,1035 1.286,1036 11.195,1037 5.499,1038 6.899,1039 8.322,1040 0.479,1041 13.021,1042 6.705,1043 10.535,1044 1.243,1045 12.984,1046 3.436,1047 8.352,1048 10.128,1049 1.15,1050 15.713,1051 8.135,1052 11.968,1053 1,1054 14.802,1055 3.032,1056 9.232,1057 11.338,1058 0.346,1059 17.939,1060 8.994,1061 13.423,1062 0.907,1063 16.641,1064 2.275,1065 10.504,1066 12.969,1067 0.93,1068 20.48,1069 10.245,1070 3.351,1071 0.523,1072 18.498,1073 2.263,1074 11.56,1075 14.361,1076 0.237,1077 22.856,1078 11.281,1079 3.237,1080 11.993,1081 20.37,1082 1.117,1083 12.771,1084 15.928,1085 0.742,1086 25.347,1087 12.47,1088 2.619,1089 11.383,1090 22.254,1091 4.739,1092 13.904,1093 17.401,1094 0.158,1095 27.78,1096 13.582,1097 2.512,1098 7.909,1099 24.149,1100 4.248,1101 15.097,1102 18.946,1103 0.583,1104 30.255,1105 14.753,1106 2.465,1107 7.505,1108 26.052,1109 3.395,1110 16.264,1111 20.456,1112 0.104,1113 32.709,1114 15.896,1115 2.182,1116 7.152,1117 27.962,1118 3.281,1119 17.454,1120 21.996,1121 0.452,1122 35.179,1123 17.063,1124 2.098,1125 6.923,1126 29.878,1127 2.899,1128 18.637,1129 23.523,1130 0.068,1131 37.643,1132 18.221,1133 17015,1134 27177,1135 25.778,1136 42.949,1137 59.39,1138 61.088,1139 62.15,1140 59.052,1141 59.01,1142 74.169,1143 6.64,1144 177.893,1145 56.163,1146 5.771,1147 5.761,1148 6.568,1149 5.39,1150 5.351,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 19.62,1156 1.523,1157 1.566,1158 1.594,1159 1.514,1160 1.513,1161 1.902,1162 0.17,1163 4.561,1164 1.44,1165 4.174,1166 4.202,1167 4.144,1168 4.087,1169 7.428,1170 4.098,1171 3.975,1172 3.975,1173 3.952,1174 3.878,1175 6.492,1176 3.894,1177 3.852,1178 3.929,1179 3.73,1180 3.652,1181 6.445,1182 3.66,1183 3.602,1184 3.653,1185 3.515,1186 3.466,1187 4.97,1188 3.471,1189 3.521,1190 3.559,1191 3.433,1192 3.38,1193 4.755,1194 3.381,1195 3.391,1196 3.432,1197 3.271,1198 3.209,1199 4.579,1200 3.218,1201 3.192,1202 3.272,1203 3.008,1204 2.949,1205 4.404,1206 2.951,1207 3.164,1208 3.263,1209 2.967,1210 2.941,1211 4.139,1212 2.91,1213 0.122,1214 0.096,1215 0.18,1216 0.111,1217 0.086,1218 4.771,1219 0.122,1220 3.761,1221 0.022,1222 7.021,1223 0.308,1224 4.323,1225 0.084,1226 3.351,1227 4.739,1228 0.86,1229 11.993,1230 3.259,1231 1.942,1232 1.924,1233 2.039,1234 2.058,1235 1.35,1236 2.056,1237 1.851,1238 1.845,1239 1.999,1240 2.01,1241 1.214,1242 2.01,1243 1.812,1244 1.748,1245 1.913,1246 1.953,1247 1.141,1248 1.937,1249 1.725,1250 1.673,1251 1.892,1252 1.893,1253 1.035,1254 1.895,1255 1.51,1256 1.462,1257 1.738,1258 1.696,1259 0.926,1260 1.709,1261 1.344,1262 1.298,1263 1.582,1264 1.577,1265 0.825,1266 1.573,1267 1.206,1268 1.145,1269 1.533,1270 1.493,1271 0.663,1272 1.502,1273 1.153,1274 1.064,1275 1.514,1276 1.426,1277 0.605,1278 1.468,1279 4.369,1281 5.727,1282 3.045,1283 7.273,1284 5.587,1285 8.909,1286 7.818,1287 10.594,1289 5.845,1294 19.951,1295 7.314,1297 11.231,1300 4.871,1305 41.013,1306 100.603,1307 236.259,1308 314.036,1309 346.665,1310 358.665,1311 358.665,1312 71.125,1313 8.484,1314 91.31,1315 91.31,1316 28,1317 13.042,1318 4.248,1319 3.459,1320 52.035,1321 152,1322 194,1323 0.162,1324 246.814,1325 434.35,1326 593.987,1327 61685,1329 24.69,1330 0.705,1331 0.582,1332 24.69,1333 20.375,1334 16.851,1335 0.432,1336 0.306,1337 11.727,1338 16.058,1339 11.385,1340 9.395,1341 16.851,1342 11.934,1343 15.641,1344 0.274,1345 0.163,1346 15.641,1347 9.31,1348 13.589,1349 0.172,1350 0.089,1351 13.589,1352 7.044,1353 11.744,1354 0.108,1355 0.046,1356 11.744,1357 5.018,1358 9.394,1359 0.068,1360 0.026,1361 9.394,1362 3.589,1363 0.253,1364 106.614,1365 0.197,1366 32.052,1367 0.447,1368 192,1369 556.441,1370 211.975,1371 527.104,1372 723.32,1373 494,1374 232,1375 536.91,1376 253.448,1377 541.654,1378 800.53,1379 508,1380 7.824}
{0 CHEMBL1093449,1 1.539,2 14.514,3 2.849,4 8.118,5 142.949,6 7.252,7 0.39,8 4.358,9 4.465,10 3.892,11 3.833,12 5.456,13 3.829,14 4.917,15 5.093,16 4.268,17 4.243,18 5.947,19 4.226,20 5.169,21 5.363,22 4.364,23 4.428,24 6.209,25 4.377,26 5.294,27 5.508,28 4.34,29 4.501,30 6.37,31 4.399,32 5.345,33 5.595,34 4.231,35 4.441,36 6.264,37 4.326,38 5.264,39 5.513,40 4.235,41 4.366,42 6.249,43 4.273,44 5.171,45 5.392,46 4.238,47 4.355,48 6.144,49 4.285,50 5.168,51 5.353,52 4.284,53 4.419,54 6.216,55 4.34,56 0.108,57 0.99,58 15.394,59 6.594,60 16.843,61 8.448,62 0.374,63 1.634,64 29.56,65 10.307,66 32.387,67 14.079,68 0.71,69 1.991,70 39.335,71 13.752,72 56.792,73 18.737,74 0.79,75 2.167,76 44.843,77 17.094,78 100.197,79 23.741,80 0.746,81 2.142,82 49.752,83 17.214,84 83.816,85 24.43,86 0.799,87 2.018,88 45.876,89 15.1,90 90.63,91 21.806,92 0.775,93 1.897,94 40.974,95 13.748,96 66.448,97 18.985,98 0.561,99 1.944,100 38.702,101 14.918,102 61.378,103 20.025,104 42,105 59,106 0.241,107 0.566,108 0.748,109 0.835,110 0.853,111 0.871,112 3.642,113 0.923,114 -2.38,115 -2.41,116 -2.37,119 40,120 1,121 1,124 1,125 8,135 1,138 1,142 5,143 3,144 4,152 2,157 1,172 4,175 12,180 4,183 8,186 2,187 7,190 1,195 7,198 1,199 6,202 3,203 1,204 2,207 10,211 2,212 5,217 1,220 8,223 1,224 9,227 2,229 2,232 4,236 2,237 8,242 2,245 4,249 1,250 4,253 1,255 4,258 5,262 2,263 5,266 1,268 3,271 3,275 2897,276 25.118,277 25.118,278 25.118,279 25.118,280 25.118,281 22.85,282 31.971,283 14.581,284 25.835,285 20.121,286 20.121,287 20.121,288 20.121,289 20.121,290 16.458,291 39.675,292 6.765,293 21.21,294 4.591,295 2.508,296 1.349,297 0.793,298 0.679,299 0.564,300 4.345,305 1,306 1169,307 3.742,310 159.322,311 327.42,314 305.462,318 2.175,319 44.967,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 81.5,331 537,332 4.771,333 3.761,334 7.021,335 4.323,336 3.351,337 4.739,338 0.86,339 11.993,340 3.259,341 4.587,342 3.399,343 6.869,344 4.213,345 3.237,346 4.248,347 0.86,348 11.383,349 3.157,350 3.926,351 2.983,352 5.825,353 3.579,354 2.658,355 3.395,356 0.8,357 7.909,358 2.447,359 3.83,360 2.922,361 5.694,362 3.479,363 2.512,364 3.281,365 0.8,366 7.507,367 2.425,368 3.657,369 2.8,370 5.569,371 3.412,372 2.466,373 2.899,375 7.381,376 2.329,377 3.539,378 2.591,379 5.49,380 3.168,381 2.232,382 2.657,384 6.925,385 2.107,386 3.347,387 2.574,388 5.166,389 3.098,390 2.152,391 2.615,393 6.367,394 2.008,395 3.275,396 2.3,397 5.14,398 2.942,399 2.009,400 2.534,402 6.032,403 1.863,404 3.21,405 2.241,406 5.126,407 2.86,408 1.906,409 2.421,411 6.001,412 1.81,413 3.193,414 2.132,415 4.957,416 2.756,417 1.793,418 2.216,420 5.499,421 1.712,422 2.732,423 1.856,424 4.26,425 2.296,426 1.317,427 1.679,428 3.436,429 1.287,430 2.501,431 1.576,432 3.886,433 2.223,434 1.243,435 1.485,436 3.05,437 1.199,438 2.206,439 1.373,440 3.596,441 2.025,442 1.097,443 1.175,445 2.316,446 1.009,447 2.047,448 1.146,449 3.414,450 1.967,451 1,452 1.023,454 2.275,455 0.965,456 2,457 1.109,458 3.288,459 1.853,460 0.893,461 1,463 1.863,464 0.852,465 17.2,466 0.465,467 0.955,468 0.026,469 43.75,470 1.182,471 19,472 0.514,473 24.75,474 0.669,475 37.547,476 1.015,477 41.6,478 0.594,479 38.08,480 1.029,481 8.807,482 0.238,483 9.081,484 0.245,485 0.136,487 0.39,493 0.921,494 1.424,495 0.828,496 1.168,497 0.838,498 1.009,499 1.023,500 1.082,501 0.873,502 0.907,503 0.636,504 0.844,505 0.965,506 0.923,507 0.983,508 0.925,509 0.781,510 0.936,511 0.525,512 1.12,513 0.936,514 1.19,515 0.485,516 1.152,517 0.8,518 0.989,519 0.899,520 0.995,521 0.843,522 0.976,523 0.778,524 0.968,525 0.843,526 0.908,527 0.631,528 0.888,529 1.026,530 0.837,531 0.966,532 0.836,533 0.882,534 0.87,535 0.863,536 1.227,537 1.062,538 1.239,539 0.844,540 1.203,541 7.5,542 0.319,543 4.222,544 3.965,545 2.13,546 1.539,547 0.97,548 0.779,549 0.562,550 0.413,551 21459,552 56876,553 2.084,554 47.1,556 25,559 3,560 3,562 2,564 1.783,565 1.93,566 3.742,567 0.782,573 107.714,574 1.539,575 3.621,576 4.78,577 5.336,578 5.451,579 5.565,580 3.254,581 4.885,582 5.173,583 3.941,584 2624.68,585 9.122,586 42745,591 429.05,592 1.472,593 5.131,594 0.183,595 0.008,596 0.072,597 0.063,598 0.037,599 0.03,600 0.018,601 0.014,602 0.01,603 0.009,604 0.443,605 0.33,606 0.75,607 0.935,608 203.857,609 -0.087,610 -0.194,611 0.042,612 -0.039,613 -0.09,614 0.013,615 -0.131,616 0.089,617 0.059,618 0.111,619 0.011,620 0.131,621 -0.051,622 0.184,623 -0.035,624 0.083,625 0.011,626 0.044,627 0.203,628 -0.092,629 -0.01,630 -0.149,631 0.239,632 -0.124,633 0.017,634 -0.038,635 0.073,636 -0.002,637 -0.023,638 0.037,639 0.063,640 0.014,641 0.135,642 0.065,643 0.113,644 0.107,645 -0.077,646 0.197,647 0.008,648 0.151,649 -0.055,650 0.111,651 -0.009,652 -0.169,653 -0.135,654 -0.182,655 -0.017,656 -0.186,657 2.087,658 6.033,659 0.649,660 47.348,661 1.007,662 1.128,663 1.147,664 1.316,665 0.645,666 3.738,667 4.094,668 4.419,669 4.736,670 4.97,671 5.118,672 5.283,673 5.447,674 5.541,675 5.69,676 8.157,677 0.618,678 507.64,679 3.738,680 5.303,681 6.18,682 7.084,683 7.981,684 8.895,685 9.802,686 10.721,687 11.634,688 12.557,689 4.3,692 2,697 1,703 2,704 5,709 7,710 1,711 16,716 1,728 2,729 2,731 70,733 18,734 2,735 41,737 74,738 28,739 14,740 7,741 5,742 3,746 5,747 7,752 2,758 1,761 17,762 11,766 2,771 1,773 1,775 2,781 33,782 8,783 3,784 9,790 3,794 0.6,795 6,796 1,807 1,811 2,812 3,815 2,831 2,836 2,838 1,840 3,844 2,848 37,853 3,854 9,856 2,859 2,870 8.6,871 1,872 2,873 1,875 2,877 19.167,878 12.95,879 8.167,880 4.215,881 3.844,882 1.446,883 0.943,884 7.671,885 12.461,886 3.951,887 4.572,888 5.205,889 5.844,890 6.396,891 6.818,892 7.249,893 7.701,894 8.009,895 8.423,896 0.9,897 63,898 13.783,900 6.005,901 7.82,902 26.319,904 22.074,905 2.32,906 85.833,910 353.133,911 128.549,912 8.148,914 175.195,917 128.549,918 528.328,919 8.148,920 19.708,921 17.274,922 99.541,923 120.889,924 49.578,925 4.901,926 353.133,928 353.133,929 136.697,930 175.195,933 329.591,934 156.054,935 42.683,937 34.247,938 87.73,939 14.72,941 353.133,942 183.342,943 128.549,946 353.133,947 51.983,948 84.713,950 175.195,951 353.133,952 183.342,953 128.549,955 0.583,956 0.353,957 0.199,958 0.108,959 29,960 14,961 0.108,962 8,963 2,964 1.167,965 4.657,966 369.157,967 0.167,968 24,969 188.75,974 25.915,975 10.952,976 5.183,977 1.989,978 181.443,979 8.395,984 2.303,985 2.263,986 128.05,987 665.024,988 51,993 13.033,995 1.715,997 -0.322,999 70.523,1000 78.979,1001 0.251,1002 0.591,1003 0.78,1004 0.871,1005 0.889,1006 0.908,1007 5.226,1008 2.009,1009 6.184,1010 6.367,1011 4.779,1012 5.26,1013 1.771,1014 7.047,1015 4.685,1016 6.443,1017 1.906,1018 7.775,1019 6.032,1020 4.443,1021 5.223,1022 0.57,1023 8.036,1024 4.306,1025 7.773,1026 1.793,1027 9.466,1028 6.001,1029 6.422,1030 7.512,1031 1.413,1032 11.184,1033 6.255,1034 9.142,1035 1.317,1036 11.215,1037 5.499,1038 6.909,1039 8.324,1040 0.479,1041 13.034,1042 6.713,1043 10.547,1044 1.243,1045 13.002,1046 3.436,1047 8.372,1048 10.131,1049 1.15,1050 15.723,1051 8.151,1052 11.978,1053 1.097,1054 14.818,1055 3.05,1056 9.244,1057 11.339,1058 0.346,1059 17.946,1060 9.003,1061 13.431,1062 1,1063 16.656,1064 2.316,1065 10.52,1066 12.97,1067 0.93,1068 20.485,1069 10.256,1070 3.351,1071 0.893,1072 18.511,1073 2.275,1074 11.571,1075 14.362,1076 0.237,1077 22.859,1078 11.287,1079 3.237,1080 11.993,1081 20.382,1082 1.863,1083 12.782,1084 15.928,1085 0.742,1086 25.349,1087 12.477,1088 2.658,1089 11.383,1090 22.264,1091 4.739,1092 13.912,1093 17.401,1094 0.158,1095 27.781,1096 13.586,1097 2.512,1098 7.909,1099 24.158,1100 4.248,1101 15.105,1102 18.946,1103 0.583,1104 30.256,1105 14.757,1106 2.466,1107 7.507,1108 26.059,1109 3.395,1110 16.27,1111 20.456,1112 0.104,1113 32.71,1114 15.899,1115 2.232,1116 7.381,1117 27.968,1118 3.281,1119 17.46,1120 21.996,1121 0.452,1122 35.18,1123 17.066,1124 2.152,1125 6.925,1126 29.883,1127 2.899,1128 18.641,1129 23.523,1130 0.068,1131 37.643,1132 18.223,1133 20324,1134 33376,1135 27.164,1136 45.165,1137 61.831,1138 63.677,1139 64.739,1140 61.554,1141 61.511,1142 76.671,1143 6.64,1144 183.468,1145 58.456,1146 5.771,1147 5.761,1148 6.791,1149 5.39,1150 5.351,1151 7.739,1152 1.72,1153 19.315,1154 5.259,1155 20.534,1156 1.508,1157 1.553,1158 1.579,1159 1.501,1160 1.5,1161 1.87,1162 0.162,1163 4.475,1164 1.426,1165 4.175,1166 4.202,1167 4.144,1168 4.088,1169 7.428,1170 4.098,1171 3.975,1172 3.975,1173 3.953,1174 3.878,1175 6.492,1176 3.894,1177 3.865,1178 3.939,1179 3.746,1180 3.665,1181 6.456,1182 3.675,1183 3.612,1184 3.667,1185 3.518,1186 3.469,1187 6.445,1188 3.474,1189 3.538,1190 3.575,1191 3.444,1192 3.395,1193 4.97,1194 3.397,1195 3.44,1196 3.481,1197 3.33,1198 3.241,1199 4.755,1200 3.254,1201 3.328,1202 3.383,1203 3.156,1204 3.14,1205 4.579,1206 3.133,1207 3.192,1208 3.272,1209 2.996,1210 2.941,1211 4.374,1212 2.942,1213 0.116,1214 0.092,1215 0.171,1216 0.105,1217 0.082,1218 4.771,1219 0.116,1220 3.761,1221 0.021,1222 7.021,1223 0.293,1224 4.323,1225 0.079,1226 3.351,1227 4.739,1228 0.86,1229 11.993,1230 3.259,1231 1.942,1232 1.924,1233 2.04,1234 2.06,1235 1.361,1236 2.058,1237 1.851,1238 1.845,1239 2.001,1240 2.015,1241 1.227,1242 2.013,1243 1.818,1244 1.753,1245 1.914,1246 1.953,1247 1.146,1248 1.938,1249 1.73,1250 1.681,1251 1.895,1252 1.896,1253 1.036,1254 1.898,1255 1.529,1256 1.479,1257 1.755,1258 1.73,1259 0.968,1260 1.739,1261 1.392,1262 1.343,1263 1.657,1264 1.631,1265 0.889,1266 1.631,1267 1.304,1268 1.246,1269 1.576,1270 1.53,1271 0.825,1272 1.547,1273 1.199,1274 1.136,1275 1.514,1276 1.493,1277 0.614,1278 1.502,1279 4.419,1281 5.765,1282 3.045,1283 7.305,1284 5.587,1285 8.936,1286 7.818,1287 10.618,1289 3.654,1294 29.135,1295 7.681,1297 11.234,1300 4.754,1305 43.255,1306 107.714,1307 253.485,1308 334.627,1309 373.54,1310 381.54,1311 389.54,1312 80.957,1313 8.618,1314 111.54,1315 111.54,1316 28,1317 13.066,1318 4.248,1319 3.459,1320 56.701,1321 175,1322 242,1323 0.153,1324 260.403,1325 460.44,1326 627.143,1327 74144,1329 26.104,1330 0.706,1331 0.574,1332 26.104,1333 21.236,1334 17.889,1335 0.436,1336 0.308,1337 12.395,1338 17.015,1339 12.107,1340 9.936,1341 17.889,1342 12.619,1343 16.19,1344 0.274,1345 0.162,1346 16.19,1347 9.572,1348 14.116,1349 0.172,1350 0.089,1351 14.116,1352 7.329,1353 12.343,1354 0.109,1355 0.047,1356 12.343,1357 5.324,1358 9.712,1359 0.068,1360 0.026,1361 9.712,1362 3.706,1363 0.242,1364 113.465,1365 0.192,1366 33.753,1367 0.417,1368 200,1369 596.591,1370 221.747,1371 560.754,1372 763.8,1373 526,1374 241,1375 557.777,1376 263.833,1377 560.012,1378 829.27,1379 527,1380 8.222}
{0 CHEMBL1093629,1 1.543,2 8.636,3 3.228,4 10.421,5 81.061,6 8.888,7 0.64,8 3.67,9 3.73,10 3.367,11 3.261,12 4.986,13 3.287,14 4.091,15 4.163,16 3.771,17 3.651,18 5.4,19 3.673,20 4.323,21 4.432,22 3.8,23 3.692,24 5.657,25 3.703,26 4.352,27 4.49,28 3.724,29 3.591,30 5.835,31 3.586,32 4.195,33 4.341,34 3.418,35 3.381,36 5.477,37 3.373,38 4.029,39 4.195,40 3.384,41 3.292,42 5.396,43 3.281,44 3.904,45 4.041,46 3.27,47 3.225,48 5.2,49 3.223,50 3.873,51 4.028,52 3.163,53 3.143,54 5.202,55 3.118,56 0.148,57 0.405,58 4.738,59 2.899,60 18.594,61 2.552,62 0.15,63 0.638,64 6.844,65 4.499,66 12.617,67 4.373,68 0.409,69 0.791,70 11.572,71 5.843,72 42.213,73 5.64,74 0.644,75 0.822,76 13.665,77 6.099,78 72.594,79 6.573,80 0.48,81 0.687,82 12.758,83 5.249,84 52.072,85 4.844,86 0.373,87 0.599,88 10.994,89 4.644,90 47.848,91 5.319,92 0.28,93 0.524,94 8.743,95 3.885,96 31.547,97 3.745,98 0.269,99 0.521,100 8.544,101 3.798,102 30.159,103 4.011,104 10,105 37,106 0.279,107 0.618,108 0.765,109 0.876,110 0.913,111 0.913,112 3.148,113 0.799,114 -2.63,115 -2.65,116 -2.58,119 51.5,135 1,136 1,142 6,143 2,144 4,152 2,154 1,172 6,175 6,180 5,183 9,187 4,190 1,192 1,195 6,199 3,202 2,203 2,204 5,207 5,211 1,212 1,217 2,220 4,224 3,227 1,228 1,229 3,232 3,237 2,242 4,245 4,250 1,253 1,255 3,258 4,266 1,268 3,271 3,275 574,276 14.878,277 14.878,278 14.878,279 14.878,280 14.878,281 12.597,282 13.322,283 8.535,284 15.032,285 12.344,286 12.344,287 12.344,288 12.344,289 12.344,290 8.845,291 14.981,292 4.055,293 12.635,294 3.501,295 1.63,296 0.819,297 0.205,300 3.844,303 1,304 1,305 1,306 423,307 2.345,310 79.929,311 104.322,314 154.899,318 1.215,319 29.772,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48.5,331 190,332 4.709,333 3.368,334 6.877,335 4.251,336 3.267,337 4.684,338 0.6,339 11.416,340 3.211,341 4.439,342 3.16,343 6.531,344 4.04,345 3.054,346 4.077,348 10.29,349 3.01,350 3.87,351 2.68,352 5.735,353 3.452,354 2.482,355 3.368,357 7.663,358 2.402,359 3.51,360 2.311,361 5.17,362 3.059,363 2.092,364 2.87,366 6.171,367 2.019,368 3.396,369 2.06,370 5.09,371 2.934,372 1.957,373 2.75,375 5.863,376 1.905,377 3.161,378 1.914,379 4.934,380 2.735,381 1.758,382 2.399,384 5.365,385 1.712,386 3.022,387 1.808,388 4.278,389 2.518,390 1.546,391 2.179,393 3.769,394 1.501,395 2.698,396 1.47,397 4.118,398 2.218,399 1.258,400 1.739,402 3.336,403 1.202,404 2.529,405 1.262,406 3.584,407 2.074,408 1.103,409 1.502,411 2.717,412 1.065,413 2.288,414 0.836,415 3.19,416 1.585,417 0.624,418 0.986,420 1.47,421 0.598,422 1.248,423 0.284,424 2.901,425 0.92,426 -0.048,427 -0.058,428 -0.132,429 -0.046,430 1.143,431 -0.051,432 2.723,433 0.742,434 -0.192,435 -0.248,436 -0.511,437 -0.179,438 0.929,439 -0.079,440 2.501,441 0.463,442 -0.479,443 -0.607,445 -1.207,446 -0.441,447 0.632,448 -0.412,449 2.237,450 0.211,451 -0.707,452 -0.917,454 -1.697,455 -0.642,456 0.576,457 -0.79,458 2,459 0.148,460 -0.843,461 -1.147,463 -2.064,464 -0.835,465 10.233,466 0.465,467 0.627,468 0.028,469 33.25,470 1.511,471 19,472 0.864,473 14.25,474 0.648,475 12.99,476 0.59,477 22.167,478 0.672,479 23.157,480 1.053,481 6.694,482 0.304,483 3.937,484 0.179,485 0.098,487 0.44,493 1.001,494 0.855,495 0.714,496 0.747,497 1.053,498 0.671,499 0.763,500 1.105,501 0.668,502 1.024,503 0.617,504 0.867,505 1.035,506 1.091,507 0.956,508 1.058,509 1.001,510 1.002,511 0.734,512 1.069,513 0.953,514 1.098,515 0.665,516 1.086,517 1.485,518 0.932,519 1.295,520 0.973,521 1.394,522 1.056,523 0.786,524 0.928,525 0.796,526 0.902,527 0.738,528 0.869,529 1.242,530 0.951,531 1.071,532 0.906,533 1.191,534 0.927,535 0.996,536 1.098,537 1.102,538 1.081,539 1.097,540 1.113,541 4.5,542 0.037,543 2.667,544 2.583,545 1.067,546 0.719,547 0.357,548 0.304,549 0.197,550 0.104,551 5007,552 15588,553 2.148,554 33.3,556 7,558 1,559 3,564 1.646,565 2,566 3.09,567 1.024,569 1,571 1,573 50.924,574 1.543,575 3.415,576 4.226,577 4.84,578 5.044,579 5.044,580 2.478,581 4.278,582 4.435,583 3.204,584 740.166,585 7.62,586 7886.38,587 1,588 1,589 1,590 1,591 166.465,592 1.437,593 4.388,594 0.18,595 0.007,596 0.072,597 0.072,598 0.034,599 0.031,600 0.016,601 0.014,602 0.011,603 0.009,604 0.447,605 0.67,606 1,607 0.595,608 99.607,609 -0.18,610 0.11,611 -0.039,612 0.168,613 -0.243,614 0.122,615 -0.056,616 -0.132,617 0.011,618 -0.116,619 -0.015,620 -0.051,621 -0.053,622 -0.13,623 -0.088,624 -0.115,625 -0.096,626 -0.113,627 0.317,628 -0.093,629 0.033,630 -0.137,631 0.326,632 -0.132,633 -0.258,634 0.03,635 -0.254,636 0.002,637 -0.271,638 -0.096,639 0.155,640 0.039,641 0.239,642 0.089,643 0.211,644 0.159,645 -0.228,646 0.024,647 -0.12,648 0.056,649 -0.176,650 0.015,651 -0.069,652 -0.103,653 -0.124,654 -0.121,655 -0.067,656 -0.139,657 1.901,658 4.245,659 0.818,660 14.281,661 1.025,662 1.103,663 1.402,664 1.966,665 0.716,666 3.258,667 3.638,668 3.97,669 4.304,670 4.466,671 4.575,672 4.691,673 4.836,674 4.852,675 4.905,676 5.134,677 0.713,678 293.29,679 3.258,680 4.828,681 5.714,682 6.627,683 7.526,684 8.443,685 9.347,686 10.265,687 11.171,688 12.09,689 3,698 1,703 2,704 6,707 1,709 6,711 16,728 3,731 33,733 18,734 2,735 25,737 36,738 17,739 14,740 6,741 6,742 3,746 4,747 6,761 17,766 2,773 2,774 1,775 1,777 1,778 1,780 1,781 11,782 5,783 3,784 5,790 1,794 0.5,795 4,811 2,812 2,815 2,823 1,831 1,832 1,840 2,848 22,853 3,870 12.1,872 3,875 1,877 11,878 5.883,879 4.667,880 1.808,881 4.237,882 1.575,883 0.969,884 2.822,885 11.607,886 3.584,887 4.287,888 4.984,889 5.664,890 6.207,891 6.616,892 7.084,893 7.574,894 7.908,895 8.306,896 0.833,897 36,898 8.12,900 3.676,901 8.023,902 14.965,904 12.662,905 2.523,906 55.5,910 94.169,911 97.367,912 16.786,914 137.557,917 97.367,918 231.726,919 16.786,922 66.334,923 148.869,924 37.994,925 10.285,926 82.398,928 94.169,929 114.153,930 137.557,933 94.169,934 137.557,937 16.786,938 78.843,939 18.524,941 94.169,942 154.343,943 97.367,946 94.169,947 21.986,948 75.381,950 154.343,951 94.169,952 154.343,953 97.367,955 0.596,956 0.361,957 0.208,958 0.104,959 21,960 9,961 0.028,962 1,963 2,964 1.222,965 3.42,966 184.927,967 0.222,968 18,969 98.107,974 13.129,975 4.729,976 2.046,977 0.387,978 154.343,979 10.128,982 5.529,984 1.457,986 128.05,987 345.879,988 35,995 3.343,996 4.286,997 0.8,999 33.829,1000 36.412,1001 0.306,1002 0.677,1003 0.838,1004 0.959,1005 1,1006 1,1007 4.836,1008 1.258,1009 5.727,1010 3.769,1011 4.317,1012 4.973,1013 0.542,1014 6.6,1015 4.271,1016 6.096,1017 1.103,1018 7.323,1019 3.336,1020 4.007,1021 4.902,1023 7.591,1024 3.928,1025 7.438,1026 0.624,1027 9.019,1028 2.717,1029 5.969,1030 7.305,1031 0.23,1032 10.74,1033 5.891,1034 8.821,1035 -0.048,1036 10.772,1037 1.47,1038 6.479,1039 8.078,1041 12.577,1042 6.372,1043 10.235,1044 -0.192,1045 12.563,1046 -0.132,1047 7.935,1048 9.952,1049 0.089,1050 15.242,1051 7.828,1052 11.675,1053 -0.479,1054 14.38,1055 -0.511,1056 8.817,1057 11.129,1059 17.423,1060 8.685,1061 13.133,1062 -0.707,1063 16.217,1064 -1.207,1065 10.084,1066 12.79,1067 0.033,1068 19.924,1069 9.946,1070 3.267,1071 -0.843,1072 18.07,1073 -1.697,1074 11.129,1075 14.158,1077 22.243,1078 10.97,1079 3.054,1080 11.416,1081 19.934,1082 -2.064,1083 12.326,1084 15.734,1085 0.012,1086 24.686,1087 12.157,1088 2.482,1089 10.29,1090 21.808,1091 4.684,1092 13.44,1093 17.191,1095 27.062,1096 13.252,1097 2.092,1098 7.663,1099 23.69,1100 4.077,1101 14.613,1102 18.735,1103 0.004,1104 29.487,1105 14.413,1106 1.957,1107 6.171,1108 25.578,1109 3.368,1110 15.757,1111 20.232,1113 31.886,1114 15.538,1115 1.758,1116 5.863,1117 27.471,1118 2.87,1119 16.924,1120 21.767,1121 0.002,1122 34.306,1123 16.69,1124 1.546,1125 5.365,1126 29.368,1127 2.75,1128 18.08,1129 23.283,1131 36.717,1132 17.83,1133 4711,1134 8425,1135 16.819,1136 23.631,1137 39.242,1138 38.891,1139 39.815,1140 38.373,1141 38.283,1142 53.107,1143 1.2,1144 116.119,1145 37.252,1146 5.351,1147 5.368,1148 6.559,1149 5.267,1150 5.267,1151 7.684,1152 1.2,1153 18.605,1154 5.211,1155 9.766,1156 1.57,1157 1.556,1158 1.593,1159 1.535,1160 1.531,1161 2.124,1162 0.048,1163 4.645,1164 1.49,1165 4.126,1166 4.124,1167 4.106,1168 4.027,1169 6.505,1170 4.044,1171 3.97,1172 3.991,1173 3.932,1174 3.9,1175 6.463,1176 3.905,1177 3.513,1178 3.535,1179 3.451,1180 3.414,1181 6.44,1182 3.417,1183 3.305,1184 3.333,1185 3.233,1186 3.146,1187 5.026,1188 3.165,1189 3.022,1190 3.029,1191 2.949,1192 2.803,1193 4.892,1194 2.827,1195 2.918,1196 2.973,1197 2.815,1198 2.778,1199 4.371,1200 2.781,1201 2.686,1202 2.74,1203 2.563,1204 2.542,1205 4.082,1206 2.537,1207 2.609,1208 2.625,1209 2.462,1210 2.306,1211 3.81,1212 2.298,1213 0.188,1214 0.135,1215 0.275,1216 0.17,1217 0.131,1218 4.709,1219 0.187,1220 3.368,1221 0.024,1222 6.877,1223 0.457,1224 4.251,1225 0.128,1226 3.267,1227 4.684,1228 0.6,1229 11.416,1230 3.211,1231 1.896,1232 1.89,1233 1.985,1234 1.994,1235 1.11,1236 1.977,1237 1.881,1238 1.862,1239 1.948,1240 1.952,1241 1.08,1242 1.964,1243 1.606,1244 1.589,1245 1.699,1246 1.754,1247 0.769,1248 1.733,1249 1.219,1250 1.199,1251 1.326,1252 1.442,1253 0.346,1254 1.404,1255 0.956,1256 0.936,1257 1.115,1258 1.213,1259 0.175,1260 1.163,1261 0.91,1262 0.878,1263 1.087,1264 1.135,1265 0.124,1266 1.116,1267 0.781,1268 0.727,1269 1.066,1270 1.042,1271 0.099,1272 1.012,1273 0.707,1274 0.675,1275 0.913,1276 0.96,1278 0.989,1279 3.932,1281 5.293,1282 3.045,1283 6.845,1284 5.476,1285 8.486,1286 7.627,1287 10.175,1294 29.57,1305 23.515,1306 50.924,1307 112.691,1308 139.445,1309 159.71,1310 166.465,1311 166.465,1312 37.899,1313 7.37,1314 86.72,1315 86.72,1316 22,1317 12.602,1318 4.248,1319 3.459,1320 29.897,1321 68,1322 60,1323 0.221,1324 140.699,1325 242.92,1326 335.066,1327 15117,1329 15.267,1330 0.694,1331 0.514,1332 15.267,1333 11.316,1334 10.631,1335 0.425,1336 0.266,1337 6.569,1338 10.246,1339 6.468,1340 5.314,1341 10.631,1342 6.659,1343 10.028,1344 0.271,1345 0.136,1346 10.028,1347 5.028,1348 8.724,1349 0.168,1350 0.069,1351 8.724,1352 3.601,1353 7.995,1354 0.11,1355 0.035,1356 7.995,1357 2.588,1358 5.892,1359 0.069,1360 0.019,1361 5.892,1362 1.622,1363 0.337,1364 66.789,1365 0.244,1366 21.318,1367 0.632,1368 124,1369 391.83,1370 136.239,1371 378.731,1372 520.45,1373 352,1374 151,1375 392.828,1376 163.74,1377 396.078,1378 585.47,1379 374,1380 5.17}
{0 CHEMBL1093685,1 1.613,2 14.795,3 2.455,4 6.028,5 145.485,6 8.04,7 0.489,8 4.317,9 4.424,10 3.962,11 3.852,12 5.436,13 3.863,14 4.874,15 5.022,16 4.37,17 4.278,18 5.983,19 4.278,20 5.13,21 5.311,22 4.391,23 4.405,24 6.217,25 4.367,26 5.141,27 5.36,28 4.313,29 4.382,30 6.172,31 4.321,32 5.078,33 5.265,34 4.35,35 4.353,36 6.228,37 4.312,38 5.124,39 5.317,40 4.367,41 4.376,42 6.216,43 4.337,44 5.104,45 5.286,46 4.388,47 4.352,48 6.327,49 4.314,50 5.105,51 5.321,52 4.171,53 4.294,54 6.124,55 4.224,56 0.09,57 1.008,58 11.572,59 5.528,60 10.805,61 6.633,62 0.427,63 1.671,64 23.523,65 9.436,66 32.643,67 11.569,68 0.737,69 2.013,70 34.219,71 12.644,72 62.917,73 15.769,74 0.549,75 2.027,76 36.365,77 13.404,78 53.561,79 17.829,80 0.642,81 1.888,82 32.572,83 12.479,84 66.969,85 15.968,86 0.664,87 1.959,88 34.739,89 12.778,90 61.159,91 16.279,92 0.885,93 1.9,94 33.778,95 12.723,96 95.508,97 16.367,98 0.653,99 1.847,100 36.433,101 13.086,102 70.136,103 16.76,104 10,105 66,106 0.252,107 0.634,108 0.803,109 0.856,110 0.871,111 0.871,112 3.693,113 0.862,114 -2.67,115 -2.69,116 -2.61,119 44.6,121 2,124 1,125 2,127 2,135 1,138 1,142 6,143 3,144 4,145 3,151 1,157 1,159 1,161 1,172 6,174 1,175 13,178 2,179 1,180 3,183 4,186 2,187 11,190 1,192 3,195 4,198 2,199 9,204 3,207 4,211 2,212 7,215 3,217 3,220 8,223 3,224 3,229 1,232 7,236 6,237 12,240 2,242 1,245 8,250 8,255 2,258 4,262 1,263 7,266 1,268 1,271 1,275 3049,276 26.789,277 26.789,278 26.789,279 26.789,280 26.789,281 23.753,282 34.088,283 15.561,284 27.406,285 22.298,286 22.298,287 22.298,288 22.298,289 22.298,290 17.561,291 48.001,292 7.505,293 23.325,294 4.409,295 1.957,296 0.877,297 0.535,298 0.442,299 0.442,300 4.419,305 1,306 1319,307 3.606,310 255.217,311 445.45,312 118.019,314 313.978,318 2.447,319 40.554,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 85,331 577,332 4.737,333 3.731,334 7,335 4.286,336 3.32,337 4.707,338 1.656,339 11.961,340 3.215,341 4.514,342 3.56,343 6.695,344 4.152,345 3.173,346 4.126,347 0.86,348 10.803,349 3.105,350 4,351 3.417,352 6.134,353 3.817,354 2.887,355 3.483,356 0.86,357 9.065,358 2.679,359 3.98,360 3.168,361 5.679,362 3.635,363 2.672,364 3.328,365 0.8,366 7.752,367 2.563,368 3.862,369 2.776,370 5.63,371 3.43,372 2.461,373 3.272,374 0.247,375 7.612,376 2.385,377 3.646,378 2.711,379 5.522,380 3.367,381 2.434,382 2.929,384 7.326,385 2.267,386 3.6,387 2.556,388 5.336,389 3.164,390 2.196,391 2.763,393 6.728,394 2.117,395 3.383,396 2.473,397 5.23,398 2.952,399 1.963,400 2.66,402 6.054,403 1.929,404 3.229,405 2.211,406 4.879,407 2.839,408 1.879,409 2.448,411 5.638,412 1.794,413 3.033,414 2.093,415 4.854,416 2.799,417 1.823,418 2.177,420 5.137,421 1.764,422 2.931,423 1.927,424 4.727,425 2.621,426 1.692,427 2.013,428 4.959,429 1.568,430 2.879,431 1.804,432 4.607,433 2.562,434 1.61,435 1.98,436 4.694,437 1.521,438 2.847,439 1.519,440 4.131,441 2.348,442 1.385,443 1.879,445 3.221,446 1.33,447 2.669,448 1.335,449 3.727,450 2.181,451 1.208,452 1.741,454 2.992,455 1.173,456 2.5,457 1.244,458 3.571,459 1.996,460 1.046,461 1.5,463 2.71,464 0.99,465 18.233,466 0.468,467 1.003,468 0.026,469 54,470 1.385,471 26.5,472 0.679,473 27.5,474 0.705,475 33.452,476 0.858,477 40.567,478 0.624,479 45.094,480 1.156,481 10.482,482 0.269,483 8.531,484 0.219,485 0.064,487 0.4,493 0.803,494 1.365,495 0.692,496 1.068,497 0.57,498 0.889,499 0.95,500 1.049,501 0.833,502 0.947,503 0.584,504 0.871,505 1.15,506 1.069,507 1.053,508 0.999,509 0.873,510 1.008,511 0.87,512 0.978,513 0.931,514 0.989,515 0.82,516 0.968,517 0.939,518 1.013,519 0.945,520 1.032,521 1.182,522 1.001,523 1.075,524 0.997,525 0.981,526 0.996,527 1.18,528 0.973,529 0.848,530 1.054,531 0.923,532 1.053,533 0.762,534 1.02,535 1.217,536 0.943,537 1.084,538 0.978,539 1.117,540 1.005,541 8,542 0.248,543 3.556,544 3.778,545 1.604,546 1.48,547 0.933,548 0.748,549 0.476,550 0.36,551 27844,552 72139,553 2.216,554 40,556 16,557 1,558 3,559 2,561 4,564 1.793,565 2.108,566 3.798,567 0.162,573 104.851,574 1.613,575 4.066,576 5.145,577 5.488,578 5.58,579 5.58,580 3.267,581 5.029,582 5.253,583 4.02,584 2979.18,585 9.259,586 50407.2,591 391.454,592 1.296,593 5.233,594 0.178,595 0.006,596 0.054,597 0.058,598 0.027,599 0.024,600 0.015,601 0.012,602 0.009,603 0.008,604 0.39,605 0.33,606 0.75,607 0.42,608 218.792,609 -0.061,610 -0.219,611 0.067,612 -0.077,613 -0.034,614 0.003,615 -0.009,616 0.057,617 0.03,618 0.017,619 0.057,620 0.031,621 -0.085,622 -0.052,623 -0.103,624 -0.022,625 -0.009,626 -0.06,627 -0.037,628 0.013,629 0.043,630 0.001,631 0.043,632 0.035,633 0.048,634 -0.014,635 0.006,636 -0.041,637 -0.001,638 -0.03,639 -0.041,640 0.001,641 -0.013,642 -0.013,643 -0.078,644 -0.006,645 0.242,646 -0.069,647 0.044,648 -0.063,649 0.261,650 -0.055,651 -0.171,652 -0.003,653 -0.071,654 0.022,655 -0.103,656 0.001,657 2.1,658 6.375,659 0.821,660 49.741,661 1.012,662 1.123,663 1.437,664 2.066,665 0.684,666 3.829,667 4.205,668 4.533,669 4.883,670 5.124,671 5.263,672 5.485,673 5.673,674 5.826,675 5.994,676 8.599,677 0.665,678 522.61,679 3.829,680 5.407,681 6.29,682 7.2,683 8.098,684 9.013,685 9.919,686 10.837,687 11.749,688 12.669,689 9.2,695 1,696 2,697 1,699 2,703 2,704 10,705 2,709 6,710 1,711 22,716 1,726 1,729 1,731 65,733 25,734 1,735 45,737 71,738 29,739 18,740 3,741 3,742 3,746 7,747 10,751 1,755 4,758 4,761 22,762 7,766 3,771 2,773 1,775 3,781 26,782 9,783 2,784 10,790 6,794 0.571,795 4,801 1,805 2,807 1,811 3,812 4,813 1,815 2,831 2,839 1,840 4,844 1,848 39,854 4,855 2,856 2,858 2,859 1,870 6.2,873 2,874 1,875 1,877 18.5,878 12.05,879 8.222,880 3.914,881 4.9,882 1.513,883 1.047,884 6.019,885 14.459,886 4.094,887 4.721,888 5.336,889 5.97,890 6.515,891 6.854,892 7.34,893 7.79,894 8.133,895 8.58,896 0.9,897 65,898 14.485,900 6.469,901 7.731,902 27.663,904 23.793,905 2.231,906 87,910 282.506,911 159.026,912 74.616,914 72.29,917 159.026,918 354.796,919 74.616,920 8.396,921 45.302,922 75.381,923 142.266,924 65.623,925 16.047,926 235.422,928 282.506,929 233.642,930 72.29,933 235.422,934 108.374,935 11,937 76.059,938 109.293,939 48.291,941 282.506,942 146.906,943 159.026,946 282.506,947 48.106,948 115.943,949 36.022,950 105.861,951 282.506,952 146.906,953 159.026,955 0.592,956 0.35,957 0.201,958 0.108,959 36,960 15,961 0.056,962 4,963 4,964 1.219,965 4.97,966 414.837,967 0.25,968 31,969 200.131,974 24.19,975 9.705,976 4.536,977 1.822,978 145.007,979 17.497,980 8.595,984 3.833,985 1.968,986 36.022,987 588.438,988 59,993 25.78,995 1.785,997 -0.447,999 65.756,1000 72.979,1001 0.268,1002 0.675,1003 0.854,1004 0.911,1005 0.927,1006 0.927,1007 5.368,1008 1.963,1009 6.29,1010 6.728,1011 4.89,1012 5.409,1013 2.274,1014 7.143,1015 4.805,1016 6.582,1017 1.879,1018 7.867,1019 6.054,1020 4.511,1021 5.247,1022 1.305,1023 8.072,1024 4.395,1025 7.902,1026 1.823,1027 9.542,1028 5.638,1029 6.524,1030 7.619,1031 2.627,1032 11.226,1033 6.36,1034 9.254,1035 1.692,1036 11.274,1037 5.137,1038 6.967,1039 8.313,1040 2.354,1041 13.025,1042 6.777,1043 10.641,1044 1.61,1045 13.045,1046 4.959,1047 8.45,1048 10.172,1049 3.315,1050 15.698,1051 8.22,1052 12.054,1053 1.385,1054 14.844,1055 4.694,1056 9.283,1057 11.294,1058 3.414,1059 17.879,1060 9.028,1061 13.488,1062 1.208,1063 16.665,1064 3.221,1065 10.56,1066 12.947,1067 4.177,1068 20.397,1069 10.271,1070 3.32,1071 1.046,1072 18.504,1073 2.992,1074 11.577,1075 14.283,1076 4.466,1077 22.741,1078 11.264,1079 3.173,1080 11.961,1081 20.358,1082 2.71,1083 12.777,1084 15.856,1085 5.117,1086 25.211,1087 12.435,1088 2.887,1089 10.803,1090 22.224,1091 4.707,1092 13.878,1093 17.296,1094 5.504,1095 27.622,1096 13.511,1097 2.672,1098 9.065,1099 24.101,1100 4.126,1101 15.054,1102 18.839,1103 6.093,1104 30.082,1105 14.659,1106 2.461,1107 7.752,1108 25.987,1109 3.483,1110 16.193,1111 20.329,1112 6.531,1113 32.522,1114 15.774,1115 2.434,1116 7.612,1117 27.88,1118 3.328,1119 17.364,1120 21.865,1121 7.084,1122 34.982,1123 16.918,1124 2.196,1125 7.326,1126 29.779,1127 3.272,1128 18.523,1129 23.38,1130 7.551,1131 37.436,1132 18.051,1133 24914,1134 40323,1135 31.035,1136 44.466,1137 69.772,1138 71.57,1139 70.173,1140 68.867,1141 68.845,1142 88.829,1143 8.846,1144 205.954,1145 65.907,1146 5.737,1147 5.731,1148 6.802,1149 5.393,1150 5.32,1151 7.707,1152 2.912,1153 19.399,1154 5.215,1155 14.532,1156 1.55,1157 1.59,1158 1.559,1159 1.53,1160 1.53,1161 1.974,1162 0.197,1163 4.577,1164 1.465,1165 4.161,1166 4.196,1167 4.132,1168 4.048,1169 7.432,1170 4.065,1171 3.984,1172 4.003,1173 3.953,1174 3.886,1175 7.427,1176 3.899,1177 3.902,1178 3.945,1179 3.818,1180 3.749,1181 5.031,1182 3.759,1183 3.862,1184 3.904,1185 3.791,1186 3.726,1187 4.908,1188 3.734,1189 3.552,1190 3.582,1191 3.506,1192 3.407,1193 4.846,1194 3.422,1195 3.452,1196 3.515,1197 3.363,1198 3.257,1199 4.666,1200 3.277,1201 3.329,1202 3.372,1203 3.261,1204 3.08,1205 4.437,1206 3.125,1207 3.162,1208 3.25,1209 3.031,1210 2.951,1211 4.3,1212 2.957,1213 0.105,1214 0.083,1215 0.156,1216 0.095,1217 0.074,1218 4.737,1219 0.105,1220 3.731,1221 0.037,1222 7,1223 0.266,1224 4.286,1225 0.071,1226 3.32,1227 4.707,1228 1.656,1229 11.961,1230 3.215,1231 1.917,1232 1.89,1233 1.99,1234 2.053,1235 1.255,1236 2.036,1237 1.882,1238 1.861,1239 1.966,1240 2.006,1241 1.248,1242 1.993,1243 1.816,1244 1.777,1245 1.927,1246 1.943,1247 1.086,1248 1.941,1249 1.652,1250 1.614,1251 1.86,1252 1.867,1253 1.024,1254 1.851,1255 1.605,1256 1.554,1257 1.804,1258 1.792,1259 0.944,1260 1.798,1261 1.604,1262 1.543,1263 1.776,1264 1.76,1265 0.886,1266 1.786,1267 1.362,1268 1.322,1269 1.553,1270 1.578,1271 0.615,1272 1.559,1273 1.252,1274 1.21,1275 1.379,1276 1.56,1277 0.496,1278 1.514,1279 4.511,1281 5.872,1282 3.434,1283 7.416,1284 5.9,1285 9.046,1286 8.05,1287 10.724,1289 1.949,1295 3.852,1296 5.468,1297 12.023,1299 0.502,1300 2.373,1305 43.256,1306 104.851,1307 264.275,1308 334.434,1309 356.699,1310 362.699,1311 362.699,1312 64.101,1313 9.558,1314 114.52,1315 114.52,1316 39,1317 13.179,1318 4.7,1319 3.907,1320 50.61,1321 201,1322 229,1323 0.121,1324 255.889,1325 446.98,1326 616.13,1327 249079,1329 26.509,1330 0.68,1331 0.545,1332 26.509,1333 21.256,1334 19.013,1335 0.423,1336 0.287,1337 12.71,1338 18.175,1339 12.487,1340 10.235,1341 19.013,1342 12.924,1343 17.86,1344 0.271,1345 0.152,1346 17.86,1347 10.058,1348 15.524,1349 0.169,1350 0.08,1351 15.524,1352 7.38,1353 13.996,1354 0.107,1355 0.043,1356 13.996,1357 5.642,1358 11.45,1359 0.069,1360 0.023,1361 11.45,1362 3.882,1363 0.193,1364 119.872,1365 0.18,1366 35.334,1367 0.323,1368 222,1369 652.188,1370 246.667,1371 622.802,1372 866.01,1373 586,1374 269,1375 655.718,1376 295.195,1377 658.071,1378 974.76,1379 621,1380 5.682}
{0 CHEMBL1093754,1 1.579,2 15.385,3 1.744,4 3.04,5 149.287,6 7.384,7 0.364,8 4.393,9 4.507,10 3.954,11 3.884,12 5.469,13 3.88,14 4.975,15 5.156,16 4.346,17 4.322,18 5.986,19 4.301,20 5.262,21 5.467,22 4.458,23 4.508,24 6.295,25 4.454,26 5.363,27 5.577,28 4.436,29 4.543,30 6.451,31 4.466,32 5.372,33 5.6,34 4.328,35 4.519,36 6.366,37 4.419,38 5.352,39 5.603,40 4.293,41 4.488,42 6.247,43 4.376,44 5.298,45 5.556,46 4.28,47 4.405,48 6.24,49 4.315,50 5.207,51 5.435,52 4.262,53 4.34,54 6.283,55 4.273,56 0.087,57 1.085,58 15.291,59 6.483,60 14.48,61 8.522,62 0.419,63 1.818,64 30.442,65 10.5,66 32.545,67 14.619,68 0.672,69 2.227,70 42.629,71 14.813,72 62.79,73 20.617,74 0.85,75 2.338,76 48.426,77 16.885,78 114.146,79 23.29,80 0.913,81 2.301,82 50.049,83 17.065,84 106.56,85 23.723,86 0.771,87 2.299,88 49.123,89 16.573,90 75.192,91 24.254,92 0.705,93 2.155,94 47.227,95 15.027,96 73.853,97 22.185,98 0.804,99 1.952,100 42.628,101 13.747,102 98.421,103 19.262,104 28,105 64,106 0.244,107 0.591,108 0.77,109 0.846,110 0.85,111 0.85,112 3.693,113 0.921,114 -2.72,115 -2.73,116 -2.65,119 40.3,121 2,122 1,124 1,125 8,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,158 1,161 1,172 6,174 2,175 14,180 2,183 6,186 2,187 11,190 1,192 1,195 3,198 2,199 8,202 2,204 1,207 7,211 4,212 3,217 1,220 8,223 3,224 8,227 1,229 1,232 6,236 2,237 10,242 1,245 4,249 1,250 8,253 2,255 1,258 1,262 4,263 9,266 2,268 3,271 4,275 3224,276 26.662,277 26.662,278 26.662,279 26.662,280 26.662,281 24.346,282 34.799,283 15.414,284 27.292,285 21.648,286 21.648,287 21.648,288 21.648,289 21.648,290 17.932,291 47.158,292 7.181,293 22.664,294 4.591,295 2.352,296 1.195,297 0.705,298 0.677,299 0.677,300 4.407,305 1,306 1335,307 3.606,310 168.701,311 471.31,314 324.967,318 2.414,319 47.903,322 0.75,323 0.5,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.76,330 85.5,331 600,332 4.738,333 3.821,334 7,335 4.29,336 3.32,337 4.707,338 1.94,339 11.953,340 3.224,341 4.567,342 3.756,343 6.862,344 4.197,345 3.221,346 4.204,347 0.86,348 11.345,349 3.139,350 4.122,351 3.374,352 6.395,353 3.96,354 2.982,355 3.301,356 0.8,357 9.684,358 2.916,359 3.886,360 2.905,361 6.062,362 3.599,363 2.669,364 3.26,365 0.8,366 8.674,367 2.485,368 3.826,369 2.856,370 5.735,371 3.417,372 2.48,373 3.226,374 0.555,375 7.613,376 2.326,377 3.519,378 2.817,379 5.422,380 3.358,381 2.397,382 2.701,384 7.084,385 2.289,386 3.384,387 2.571,388 5.362,389 3.022,390 2.078,391 2.53,393 6.357,394 1.955,395 3.279,396 2.305,397 5.128,398 2.951,399 1.988,400 2.523,402 6.047,403 1.918,404 3.188,405 2.169,406 5.074,407 2.874,408 1.915,409 2.269,411 5.751,412 1.805,413 2.938,414 2.065,415 4.829,416 2.662,417 1.723,418 2.06,420 5.041,421 1.612,422 2.888,423 1.821,424 4.404,425 2.412,426 1.436,427 1.936,428 3.902,429 1.395,430 2.674,431 1.75,432 4.187,433 2.198,434 1.229,435 1.746,436 3.345,437 1.187,438 2.559,439 1.546,440 3.716,441 2.144,442 1.173,443 1.497,445 2.741,446 1.131,447 2.429,448 1.342,449 3.693,450 2.033,451 1.077,452 1.332,454 2.395,455 1.018,456 2.207,457 1.25,458 3.559,459 1.984,460 1,461 1.142,463 2.277,464 0.983,465 18.167,466 0.466,467 0.99,468 0.025,469 47,470 1.205,471 20,472 0.513,473 27,474 0.692,475 39.585,476 1.015,477 43.033,478 0.598,479 40.798,480 1.046,481 9.144,482 0.234,483 9.796,484 0.251,485 0.101,487 0.391,493 0.838,494 1.51,495 0.786,496 1.176,497 0.69,498 1.003,499 0.926,500 1.06,501 0.885,502 0.909,503 0.608,504 0.867,505 0.901,506 1.04,507 0.932,508 0.999,509 0.774,510 0.965,511 0.945,512 1.034,513 1.005,514 1.069,515 1.036,516 1.051,517 1.037,518 0.967,519 1.07,520 1.003,521 1.157,522 1.044,523 0.694,524 1.011,525 0.934,526 1.007,527 0.666,528 1.011,529 0.812,530 0.956,531 0.853,532 0.898,533 0.625,534 0.876,535 1.082,536 0.939,537 0.953,538 0.906,539 1.05,540 0.903,541 7,542 0.242,543 5.111,544 4.083,545 2.036,546 1.504,547 0.996,548 0.836,549 0.588,550 0.416,551 26254,552 67938,553 2.139,554 45.8,556 24,557 1,558 1,559 2,560 1,561 4,564 1.793,565 2,566 3.838,567 0.162,573 113.669,574 1.579,575 3.818,576 4.975,577 5.465,578 5.493,579 5.493,580 3.384,581 4.958,582 5.251,583 4.041,584 2994.71,585 9.258,586 50670.7,591 444.235,592 1.416,593 5.217,594 0.159,595 0.006,596 0.08,597 0.059,598 0.031,599 0.026,600 0.018,601 0.015,602 0.011,603 0.008,604 0.413,605 0.33,606 0.75,607 0.787,608 218.946,609 -0.067,610 -0.275,611 0.058,612 -0.07,613 -0.048,614 -0.002,615 -0.081,616 0.121,617 0.03,618 0.094,619 0.001,620 0.094,621 -0.004,622 0.028,623 0.015,624 0.008,625 0.028,626 0.019,627 0.019,628 -0.026,629 -0.037,630 -0.061,631 0.035,632 -0.059,633 -0.062,634 0.009,635 -0.089,636 -0.005,637 -0.105,638 -0.05,639 0.061,640 -0.026,641 0.032,642 -0.017,643 0.006,644 -0.002,645 0.015,646 0.022,647 0.134,648 0.068,649 0.07,650 0.119,651 -0.029,652 0.045,653 0.045,654 0.071,655 0.019,656 0.073,657 2.012,658 6.227,659 0.769,660 50.718,661 1.007,662 1.13,663 1.488,664 2.214,665 0.652,666 3.807,667 4.174,668 4.522,669 4.836,670 5.069,671 5.193,672 5.403,673 5.58,674 5.707,675 5.864,676 8.652,677 0.626,678 531.67,679 3.807,680 5.38,681 6.267,682 7.174,683 8.076,684 8.989,685 9.898,686 10.813,687 11.726,688 12.644,689 6.9,692 1,695 1,696 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 72,733 19,734 1,735 44,737 77,738 29,739 13,740 3,741 3,742 3,746 6,747 8,752 1,755 2,756 1,758 2,761 17,762 12,763 1,766 3,771 2,773 1,775 3,781 33,782 9,783 2,784 10,790 5,794 0.667,795 5,796 1,805 1,807 1,811 2,812 4,815 2,827 1,831 2,836 1,838 1,840 4,844 1,848 39,853 2,854 10,856 1,858 1,859 3,870 6.9,871 1,872 1,873 2,875 1,877 19.5,878 13.067,879 8.472,880 4.488,881 4.085,882 1.44,883 0.973,884 7.271,885 13.368,886 4.025,887 4.623,888 5.249,889 5.851,890 6.369,891 6.742,892 7.207,893 7.663,894 8.006,895 8.44,896 1,897 69,898 14.578,900 6.473,901 7.795,902 27.947,904 24.008,905 2.295,906 89.5,910 364.904,911 127.423,912 28.058,914 146.656,917 127.423,918 511.561,919 28.058,920 8.396,921 22.933,922 99.112,923 138.327,924 45.139,925 11.771,926 341.362,928 364.904,929 155.48,930 146.656,933 317.82,934 151.057,935 42.683,937 38.719,938 85.256,939 31.505,941 364.904,942 174.714,943 127.423,946 364.904,947 53.55,948 85.144,950 163.442,951 364.904,952 174.714,953 127.423,955 0.589,956 0.362,957 0.203,958 0.107,959 33,960 15,961 0.065,962 5,963 2,964 1.133,965 4.85,966 406.712,967 0.133,968 30,969 198.131,974 26.173,975 10.835,976 4.901,977 1.72,978 172.815,979 10.517,980 4.589,984 2.271,985 1.933,986 85.367,987 667.041,988 55,993 26.224,995 1.724,997 0.058,999 72.516,1000 81.351,1001 0.256,1002 0.619,1003 0.806,1004 0.886,1005 0.89,1006 0.89,1007 5.308,1008 1.988,1009 6.271,1010 6.357,1011 4.86,1012 5.311,1013 2.406,1014 7.143,1015 4.777,1016 6.513,1017 1.915,1018 7.868,1019 6.047,1020 4.511,1021 5.207,1022 1.803,1023 8.153,1024 4.392,1025 7.837,1026 1.723,1027 9.566,1028 5.751,1029 6.512,1030 7.517,1031 3.066,1032 11.303,1033 6.359,1034 9.197,1035 1.436,1036 11.324,1037 5.041,1038 7.004,1039 8.297,1040 3.157,1041 13.165,1042 6.828,1043 10.596,1044 1.229,1045 13.12,1046 3.902,1047 8.474,1048 10.106,1049 4.153,1050 15.839,1051 8.267,1052 12.021,1053 1.173,1054 14.943,1055 3.345,1056 9.345,1057 11.294,1058 4.543,1059 18.05,1060 9.119,1061 13.468,1062 1.077,1063 16.786,1064 2.741,1065 10.617,1066 12.921,1067 5.386,1068 20.571,1069 10.362,1070 3.32,1071 1,1072 18.645,1073 2.395,1074 11.657,1075 14.298,1076 5.912,1077 22.926,1078 11.383,1079 3.221,1080 11.953,1081 20.515,1082 2.277,1083 12.859,1084 15.858,1085 6.671,1086 25.399,1087 12.558,1088 2.982,1089 11.345,1090 22.396,1091 4.707,1092 13.973,1093 17.32,1094 7.263,1095 27.814,1096 13.65,1097 2.669,1098 9.684,1099 24.285,1100 4.204,1101 15.152,1102 18.858,1103 7.976,1104 30.274,1105 14.803,1106 2.48,1107 8.674,1108 26.181,1109 3.301,1110 16.3,1111 20.359,1112 8.602,1113 32.715,1114 15.927,1115 2.397,1116 7.613,1117 28.083,1118 3.26,1119 17.474,1120 21.892,1121 9.292,1122 35.173,1123 17.075,1124 2.078,1125 7.084,1126 29.989,1127 3.226,1128 18.638,1129 23.411,1130 9.936,1131 37.625,1132 18.214,1133 24265,1134 39259,1135 29.649,1136 46.961,1137 67.761,1138 69.624,1139 70.243,1140 67.02,1141 66.901,1142 82.676,1143 9.912,1144 200.826,1145 64.063,1146 5.738,1147 5.821,1148 6.77,1149 5.357,1150 5.32,1151 7.707,1152 3.348,1153 19.357,1154 5.224,1155 19.449,1156 1.54,1157 1.582,1158 1.596,1159 1.523,1160 1.52,1161 1.879,1162 0.225,1163 4.564,1164 1.456,1165 4.159,1166 4.195,1167 4.13,1168 4.047,1169 7.429,1170 4.063,1171 3.969,1172 3.977,1173 3.942,1174 3.873,1175 7.425,1176 3.887,1177 3.914,1178 3.971,1179 3.821,1180 3.744,1181 6.469,1182 3.753,1183 3.77,1184 3.84,1185 3.647,1186 3.587,1187 6.456,1188 3.593,1189 3.512,1190 3.557,1191 3.441,1192 3.39,1193 5.025,1194 3.397,1195 3.458,1196 3.504,1197 3.359,1198 3.248,1199 4.799,1200 3.265,1201 3.396,1202 3.454,1203 3.263,1204 3.202,1205 4.398,1206 3.206,1207 3.18,1208 3.234,1209 3.065,1210 2.941,1211 4.341,1212 2.963,1213 0.108,1214 0.087,1215 0.159,1216 0.097,1217 0.075,1218 4.738,1219 0.107,1220 3.821,1221 0.044,1222 7,1223 0.272,1224 4.29,1225 0.073,1226 3.32,1227 4.707,1228 1.94,1229 11.953,1230 3.224,1231 1.941,1232 1.906,1233 2.073,1234 2.092,1235 1.426,1236 2.088,1237 1.86,1238 1.848,1239 1.981,1240 2.02,1241 1.298,1242 2.011,1243 1.82,1244 1.771,1245 1.945,1246 1.951,1247 1.093,1248 1.947,1249 1.721,1250 1.657,1251 1.894,1252 1.913,1253 1.047,1254 1.912,1255 1.652,1256 1.609,1257 1.794,1258 1.823,1259 0.939,1260 1.818,1261 1.408,1262 1.348,1263 1.685,1264 1.674,1265 0.885,1266 1.676,1267 1.368,1268 1.317,1269 1.559,1270 1.578,1271 0.825,1272 1.567,1273 1.153,1274 1.064,1275 1.513,1276 1.377,1277 0.825,1278 1.429,1279 4.489,1281 5.844,1282 3.045,1283 7.397,1284 5.533,1285 9.039,1286 7.727,1287 10.728,1289 1.921,1294 19.331,1295 6.914,1297 5.816,1299 0.01,1300 6.473,1305 45.056,1306 113.669,1307 274.893,1308 358.177,1309 393.48,1310 395.48,1311 395.48,1312 83.027,1313 9.283,1314 115.28,1315 115.28,1316 34,1317 13.155,1318 4.322,1319 3.585,1320 55.302,1321 198,1322 262,1323 0.132,1324 269.267,1325 475.95,1326 648.771,1327 177835,1329 27.095,1330 0.695,1331 0.565,1332 27.095,1333 22.045,1334 18.94,1335 0.43,1336 0.307,1337 13.287,1338 18.067,1339 13.048,1340 10.656,1341 18.94,1342 13.515,1343 17.249,1344 0.27,1345 0.164,1346 17.249,1347 10.466,1348 15.508,1349 0.17,1350 0.089,1351 15.508,1352 8.111,1353 13.554,1354 0.108,1355 0.048,1356 13.554,1357 6.008,1358 10.849,1359 0.069,1360 0.027,1361 10.849,1362 4.26,1363 0.211,1364 119.771,1365 0.184,1366 35.306,1367 0.355,1368 216,1369 625.732,1370 238.837,1371 592.58,1372 811.58,1373 556,1374 263,1375 598.119,1376 288.669,1377 599.459,1378 892.62,1379 566,1380 7.602}
{0 CHEMBL1093930,1 1.69,2 8.739,3 3.977,4 15.813,5 88.684,6 11.278,7 0.615,8 3.676,9 3.726,10 3.572,11 3.312,12 4.994,13 3.325,14 4.099,15 4.158,16 4.035,17 3.719,18 5.423,19 3.724,20 4.334,21 4.423,22 4.077,23 3.781,24 5.686,25 3.765,26 4.36,27 4.485,28 4.009,29 3.676,30 5.85,31 3.648,32 4.206,33 4.334,34 3.938,35 3.495,36 5.522,37 3.466,38 4.041,39 4.187,40 3.615,41 3.377,42 5.417,43 3.338,44 3.915,45 4.035,46 3.729,47 3.301,48 5.232,49 3.291,50 3.889,51 4.019,52 3.818,53 3.277,54 5.28,55 3.234,56 0.179,57 0.384,58 1.936,59 2.713,60 20.567,61 2.27,62 0.198,63 0.602,64 2.095,65 4.235,66 16.194,67 3.919,68 0.479,69 0.754,70 14.808,71 6.308,72 45.559,73 5.415,74 0.695,75 0.804,76 13.55,77 6.573,78 75.003,79 6.426,80 0.547,81 0.67,82 10.681,83 5.728,84 56.237,85 4.85,86 0.424,87 0.582,88 18.272,89 5.313,90 50.178,91 5.427,92 0.339,93 0.509,94 8.29,95 4.179,96 35.298,97 3.661,98 0.324,99 0.503,100 8.177,101 4.252,102 31.48,103 3.938,104 17,105 39,106 0.306,107 0.663,108 0.797,109 0.887,110 0.913,111 0.913,112 3.189,113 0.871,114 -3.25,115 -3.24,116 -3.11,117 1,119 51.5,135 1,136 1,142 5,143 2,144 5,152 2,154 1,172 4,175 6,180 5,183 9,187 4,190 1,192 1,195 7,199 2,202 2,203 2,204 5,207 5,211 1,212 2,217 2,220 5,224 2,227 1,228 1,229 3,232 3,237 3,242 3,245 3,250 1,253 1,255 4,258 4,266 1,268 2,271 3,275 642,276 15.326,277 15.326,278 15.326,279 15.326,280 15.326,281 13.019,282 14.966,283 8.674,284 15.644,285 12.827,286 12.827,287 12.827,288 12.827,289 12.827,290 9.256,291 15.656,292 4.139,293 13.441,294 3.355,295 1.38,296 0.64,297 0.144,300 3.883,303 1,304 1,305 1,306 444,307 2.449,310 85.276,311 110.546,314 164.524,318 1.251,319 31.394,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50.25,331 201,332 4.709,333 3.369,334 6.877,335 4.251,336 3.268,337 4.684,338 0.6,339 11.416,340 3.211,341 4.464,342 3.211,343 6.548,344 4.059,345 3.078,346 4.126,348 10.366,349 3.016,350 3.886,351 2.766,352 5.737,353 3.46,354 2.493,355 3.387,357 7.677,358 2.405,359 3.643,360 2.666,361 5.182,362 3.143,363 2.241,364 3.036,366 6.247,367 2.034,368 3.449,369 2.307,370 5.107,371 2.999,372 2.056,373 2.818,375 5.976,376 1.916,377 3.34,378 2.045,379 4.961,380 2.873,381 1.916,382 2.635,384 5.723,385 1.745,386 3.125,387 1.91,388 4.926,389 2.715,390 1.745,391 2.328,393 5.359,394 1.653,395 2.787,396 1.621,397 4.268,398 2.245,399 1.286,400 1.815,402 3.548,403 1.221,404 2.557,405 1.463,406 4.071,407 2.104,408 1.155,409 1.533,411 3.163,412 1.083,413 2.325,414 0.906,415 3.28,416 1.661,417 0.718,418 1.087,420 1.717,421 0.656,422 1.349,423 0.381,424 2.98,425 0.958,426 0.008,427 0.01,428 0.021,429 0.007,430 1.145,431 0.257,432 2.724,433 0.743,434 -0.183,435 -0.232,436 -0.472,437 -0.161,438 1.02,439 -0.066,440 2.511,441 0.528,442 -0.354,443 -0.466,445 -0.898,446 -0.244,447 0.772,448 -0.115,449 2.375,450 0.342,451 -0.543,452 -0.648,454 -1.329,455 -0.46,456 0.576,457 -0.497,458 2.259,459 0.158,460 -0.786,461 -1.015,463 -2.137,464 -0.683,465 11.567,466 0.503,467 0.733,468 0.032,469 33.75,470 1.467,471 19,472 0.826,473 14.75,474 0.641,475 16.318,476 0.709,477 22.633,478 0.686,479 22.73,480 0.988,481 6.496,482 0.282,483 4.529,484 0.197,485 0.202,487 0.432,493 0.998,494 0.826,495 0.471,496 0.593,497 1.063,498 0.599,499 0.773,500 1.069,501 0.56,502 0.812,503 0.613,504 0.773,505 1.082,506 1.098,507 1.01,508 1.055,509 1.028,510 1.048,511 0.762,512 1.061,513 0.75,514 0.971,515 0.689,516 1.066,517 1.448,518 0.932,519 0.825,520 0.852,521 1.378,522 0.966,523 0.847,524 0.957,525 1.017,526 1,527 0.781,528 0.98,529 1.139,530 0.959,531 0.691,532 0.862,533 1.186,534 0.872,535 0.916,536 1.071,537 0.98,538 1.015,539 1.028,540 1.008,541 5.5,542 0.074,543 2.889,544 2.646,545 1.418,546 0.799,547 0.398,548 0.335,549 0.253,550 0.139,551 5566,552 19981,553 2.115,554 30.3,556 6,558 1,559 3,564 1.658,565 1.944,566 3.123,567 1.032,569 1,573 55.759,574 1.69,575 3.665,576 4.404,577 4.9,578 5.044,579 5.044,580 2.509,581 4.176,582 4.5,583 3.252,584 822.832,585 7.75,586 9082.76,588 1,589 1,590 1,591 166.465,592 1.491,593 4.44,594 0.212,595 0.009,596 0.074,597 0.07,598 0.043,599 0.031,600 0.017,601 0.015,602 0.012,603 0.011,604 0.492,605 0.5,606 1,607 0.636,608 105.972,609 -0.192,610 0.119,611 -0.018,612 0.139,613 -0.253,614 0.116,615 -0.069,616 -0.117,617 0.001,618 -0.056,619 -0.007,620 -0.029,621 -0.109,622 -0.146,623 -0.126,624 -0.148,625 -0.127,626 -0.186,627 0.274,628 -0.073,629 -0.017,630 -0.067,631 0.303,632 -0.113,633 -0.243,634 0.043,635 0.017,636 0.109,637 -0.257,638 0.008,639 0.097,640 0.017,641 -0.076,642 -0.015,643 0.17,644 0.059,645 -0.133,646 0.022,647 0.056,648 0.038,649 -0.17,650 0.063,651 0.018,652 -0.073,653 0.074,654 -0.025,655 0.003,656 -0.024,657 1.908,658 4.29,659 0.783,660 15.301,661 1.032,662 1.099,663 2.024,664 4.098,665 0.757,666 3.296,667 3.689,668 4.007,669 4.344,670 4.533,671 4.644,672 4.754,673 4.905,674 4.927,675 5.004,676 5.309,677 0.744,678 372.18,679 3.296,680 4.875,681 5.759,682 6.676,683 7.575,684 8.494,685 9.399,686 10.319,687 11.227,688 12.147,689 3,698 1,703 2,704 5,707 1,709 7,711 16,728 3,730 1,731 33,733 18,734 2,735 26,736 1,737 36,738 17,739 14,740 7,741 5,742 3,746 4,747 6,761 17,766 2,773 2,774 1,775 1,778 1,780 1,781 10,782 5,783 3,784 6,785 1,790 1,794 0.5,795 4,811 2,812 2,815 2,823 1,831 1,832 1,840 2,843 1,848 23,853 3,869 1,870 12.1,872 3,875 1,877 11.833,878 5.943,879 4.833,880 1.788,881 4.247,882 1.567,883 0.975,884 3.301,885 11.732,886 3.611,887 4.327,888 5.015,889 5.695,890 6.253,891 6.672,892 7.122,893 7.618,894 7.958,895 8.376,896 0.833,897 38,898 8.485,900 3.833,901 8.018,902 15.635,904 13.224,905 2.518,906 57.917,910 82.398,911 90.946,912 62.74,914 137.557,917 136.9,918 219.955,919 16.786,922 56.857,923 148.869,924 41.049,925 10.285,926 70.627,927 45.954,928 82.398,929 107.731,930 137.557,932 45.954,933 82.398,934 137.557,937 16.786,938 72.422,939 18.524,940 45.954,941 82.398,942 154.343,943 136.9,946 82.398,947 25.041,948 65.905,949 45.954,950 154.343,951 82.398,952 154.343,953 136.9,955 0.602,956 0.358,957 0.204,958 0.108,959 22,960 10,961 0.028,962 1,963 2,964 1.222,965 3.471,966 196.856,967 0.222,968 18,969 104.042,974 14.51,975 5.232,976 2.374,977 0.371,978 154.343,979 8.205,982 5.548,984 2.289,986 128.05,987 373.641,988 36,995 3.328,996 4.306,997 0.777,999 34.058,1000 36.254,1001 0.335,1002 0.727,1003 0.873,1004 0.971,1005 1,1006 1,1007 4.875,1008 1.286,1009 5.784,1010 5.359,1011 4.369,1012 5.014,1013 0.542,1014 6.658,1015 4.288,1016 6.144,1017 1.155,1018 7.383,1019 3.548,1020 4.111,1021 4.997,1023 7.644,1024 3.963,1025 7.493,1026 0.718,1027 9.078,1028 3.163,1029 6.028,1030 7.352,1031 0.23,1032 10.784,1033 5.906,1034 8.878,1035 0.008,1036 10.827,1037 1.717,1038 6.553,1039 8.143,1041 12.604,1042 6.39,1043 10.293,1044 -0.183,1045 12.612,1046 0.021,1047 7.989,1048 9.995,1049 0.089,1050 15.271,1051 7.839,1052 11.731,1053 -0.354,1054 14.424,1055 -0.472,1056 8.872,1057 11.176,1059 17.444,1060 8.697,1061 13.188,1062 -0.543,1063 16.255,1064 -0.898,1065 10.129,1066 12.827,1067 0.033,1068 19.947,1069 9.955,1070 3.268,1071 -0.786,1072 18.102,1073 -1.329,1074 11.173,1075 14.195,1077 22.264,1078 10.98,1079 3.078,1080 11.416,1081 19.962,1082 -2.137,1083 12.367,1084 15.766,1085 0.012,1086 24.708,1087 12.166,1088 2.493,1089 10.366,1090 21.833,1091 4.684,1092 13.48,1093 17.221,1095 27.083,1096 13.261,1097 2.241,1098 7.677,1099 23.712,1100 4.126,1101 14.652,1102 18.763,1103 0.004,1104 29.508,1105 14.421,1106 2.056,1107 6.247,1108 25.598,1109 3.387,1110 15.795,1111 20.259,1113 31.907,1114 15.547,1115 1.916,1116 5.976,1117 27.489,1118 3.036,1119 16.962,1120 21.791,1121 0.002,1122 34.327,1123 16.699,1124 1.745,1125 5.723,1126 29.385,1127 2.818,1128 18.118,1129 23.307,1131 36.737,1132 17.839,1133 5275,1134 10093,1135 17.224,1136 24.983,1137 40.88,1138 40.857,1139 41.916,1140 40.202,1141 39.927,1142 54.918,1143 1.2,1144 122.429,1145 37.895,1146 5.364,1147 5.369,1148 6.232,1149 5.269,1150 5.268,1151 7.684,1152 1.2,1153 18.606,1154 5.211,1155 11.788,1156 1.572,1157 1.571,1158 1.612,1159 1.546,1160 1.536,1161 2.112,1162 0.046,1163 4.709,1164 1.457,1165 4.126,1166 4.124,1167 6.88,1168 4.031,1169 6.505,1170 4.046,1171 3.973,1172 3.99,1173 4.102,1174 3.916,1175 6.463,1176 3.915,1177 3.516,1178 3.532,1179 3.895,1180 3.443,1181 6.44,1182 3.432,1183 3.309,1184 3.33,1185 3.425,1186 3.174,1187 5.025,1188 3.182,1189 3.022,1190 3.029,1191 3.165,1192 2.847,1193 4.889,1194 2.834,1195 2.923,1196 2.97,1197 2.947,1198 2.789,1199 4.381,1200 2.802,1201 2.686,1202 2.74,1203 2.77,1204 2.544,1205 4.083,1206 2.537,1207 2.609,1208 2.625,1209 2.562,1210 2.407,1211 3.815,1212 2.356,1213 0.181,1214 0.13,1215 0.265,1216 0.164,1217 0.126,1218 4.709,1219 0.18,1220 3.369,1221 0.023,1222 6.877,1223 0.439,1224 4.251,1225 0.124,1226 3.268,1227 4.684,1228 0.6,1229 11.416,1230 3.211,1231 1.896,1232 1.89,1233 1.95,1234 1.994,1235 1.115,1236 1.977,1237 1.878,1238 1.865,1239 1.929,1240 1.928,1241 1.083,1242 1.942,1243 1.605,1244 1.589,1245 1.693,1246 1.752,1247 0.769,1248 1.731,1249 1.218,1250 1.199,1251 1.319,1252 1.439,1253 0.346,1254 1.401,1255 0.95,1256 0.938,1257 1.088,1258 1.211,1259 0.136,1260 1.157,1261 0.905,1262 0.884,1263 1.067,1264 1.123,1265 0.118,1266 1.098,1267 0.78,1268 0.727,1269 1.041,1270 1.019,1271 0.094,1272 1.012,1273 0.701,1274 0.679,1275 0.847,1276 0.931,1278 0.95,1279 3.97,1281 5.342,1282 3.045,1283 6.897,1284 5.476,1285 8.54,1286 7.627,1287 10.23,1288 3.421,1294 29.671,1305 24.54,1306 55.759,1307 120.939,1308 145.346,1309 161.71,1310 166.465,1311 166.465,1312 41.221,1313 7.485,1314 86.72,1315 86.72,1316 22,1317 12.658,1318 4.248,1319 3.459,1320 31.842,1321 74,1322 63,1323 0.217,1324 152.613,1325 262.2,1326 364.136,1327 17355,1328 3,1329 16.137,1330 0.702,1331 0.574,1332 17.137,1333 13.203,1334 11.025,1335 0.424,1336 0.29,1337 6.717,1338 10.066,1339 6.561,1340 5.364,1341 11.602,1342 7.552,1343 10.661,1344 0.273,1345 0.156,1346 11.478,1347 6.088,1348 9.066,1349 0.168,1350 0.077,1351 9.591,1352 4.148,1353 8.203,1354 0.108,1355 0.039,1356 8.642,1357 2.971,1358 6.246,1359 0.068,1360 0.022,1361 6.844,1362 2.031,1363 0.332,1364 77.524,1365 0.241,1366 22.152,1367 0.619,1368 130,1369 418.484,1370 208.11,1371 440.889,1372 591.82,1373 408,1374 158,1375 416.562,1376 199.004,1377 432.726,1378 639.04,1379 408,1380 6.375}
{0 CHEMBL1094015,1 1.612,2 10.839,3 1.914,4 3.663,5 117.151,6 7.896,7 0.457,8 4.101,9 4.207,10 3.715,11 3.632,12 5.267,13 3.637,14 4.639,15 4.793,16 4.125,17 4.062,18 5.778,19 4.054,20 4.913,21 5.088,22 4.221,23 4.212,24 6.061,25 4.181,26 5.005,27 5.204,28 4.183,29 4.223,30 6.201,31 4.17,32 4.967,33 5.177,34 4.037,35 4.172,36 6.036,37 4.092,38 4.914,39 5.144,40 4.024,41 4.121,42 5.907,43 4.046,44 4.832,45 5.035,46 4.042,47 4.07,48 5.941,49 4.02,50 4.864,51 5.068,52 3.996,53 4.03,54 6.001,55 3.98,56 0.1,57 0.794,58 9.891,59 4.648,60 15.727,61 5.606,62 0.287,63 1.308,64 19.156,65 7.892,66 35.088,67 9.989,68 0.497,69 1.597,70 27.507,71 10.597,72 62.809,73 13.485,74 0.731,75 1.704,76 31.929,77 11.53,78 100.002,79 14.993,80 0.641,81 1.618,82 31.388,83 11.43,84 76.519,85 15.02,86 0.564,87 1.571,88 30.099,89 10.56,90 52.247,91 14.647,92 0.464,93 1.446,94 26.622,95 9.768,96 47.267,97 12.981,98 0.548,99 1.42,100 28.609,101 10.077,102 69.377,103 12.998,104 27,105 52,106 0.265,107 0.685,108 0.827,109 0.852,110 0.858,111 0.858,112 3.473,113 0.873,114 -2.97,115 -2.97,116 -2.87,119 43.4,121 2,122 1,124 1,125 2,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,158 1,161 1,163 1,164 1,165 1,172 6,174 1,175 13,177 1,178 1,180 3,183 6,185 1,186 1,187 9,192 3,195 3,197 2,198 2,199 8,202 2,204 1,207 7,211 2,212 2,214 1,215 1,217 1,220 8,223 3,224 6,229 1,232 6,236 2,237 8,242 3,245 4,247 2,250 7,253 1,255 1,258 1,260 1,262 2,263 8,265 2,266 4,268 2,271 4,273 1,275 1629,276 20.861,277 20.861,278 20.861,279 20.861,280 20.861,281 18.468,282 26.144,283 11.865,284 21.22,285 17.239,286 17.239,287 17.239,288 17.239,289 17.239,290 13.484,291 35.123,292 5.568,293 17.843,294 4.116,295 1.56,296 0.693,297 0.543,298 0.505,299 0.505,300 4.178,304 1,305 1,306 740,307 3.162,310 120.459,311 244.368,314 234.352,318 1.779,319 39.734,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68,331 336,332 4.738,333 3.756,334 7,335 4.29,336 3.32,337 4.707,338 1.886,339 11.953,340 3.224,341 4.567,342 3.655,343 6.862,344 4.197,345 3.221,346 4.204,347 0.86,348 11.345,349 3.139,350 3.96,351 3.372,352 6.086,353 3.787,354 2.802,355 3.273,356 0.8,357 8.759,358 2.773,359 3.839,360 2.889,361 5.89,362 3.514,363 2.555,364 3.25,366 8.054,367 2.431,368 3.801,369 2.817,370 5.735,371 3.359,372 2.397,373 3.025,375 7.613,376 2.296,377 3.383,378 2.571,379 5.367,380 2.967,381 2.006,382 2.701,384 6.291,385 1.93,386 3.279,387 2.195,388 5.074,389 2.874,390 1.918,391 2.523,393 5.752,394 1.805,395 3.108,396 2.111,397 4.848,398 2.772,399 1.812,400 2.216,402 5.125,403 1.733,404 2.925,405 1.828,406 4.404,407 2.413,408 1.438,409 2.051,411 3.902,412 1.396,413 2.693,414 1.751,415 4.213,416 2.305,417 1.318,418 1.764,420 3.472,421 1.289,422 2.625,423 1.342,424 3.723,425 2.172,426 1.19,427 1.612,428 2.838,429 1.165,430 2.506,431 1.25,432 3.715,433 2.023,434 1.037,435 1.393,436 2.551,437 1.008,438 2.239,439 1.139,440 3.559,441 1.984,442 1,443 1.148,445 2.354,446 0.983,447 2,448 1.077,449 3.414,450 1.89,451 0.937,452 1,454 2.275,455 0.884,456 1.401,457 0.658,458 3.015,459 0.953,460 -0.01,461 -0.013,463 -0.029,464 -0.01,465 14.433,466 0.466,467 0.908,468 0.029,469 41,470 1.323,471 20,472 0.645,473 21,474 0.677,475 26.508,476 0.855,477 32.967,478 0.622,479 33.418,480 1.078,481 7.978,482 0.257,483 6.958,484 0.224,485 0.132,487 0.436,493 0.821,494 1.276,495 0.736,496 1.022,497 0.699,498 0.883,499 0.771,500 1.02,501 0.759,502 0.927,503 0.499,504 0.841,505 0.964,506 1.133,507 0.922,508 1.048,509 0.877,510 0.986,511 0.929,512 0.983,513 1.011,514 1.017,515 0.934,516 1.023,517 0.967,518 0.981,519 1.081,520 1.022,521 1.001,522 1.07,523 0.709,524 0.946,525 0.915,526 0.939,527 0.619,528 0.954,529 0.858,530 1.069,531 0.911,532 1.028,533 0.62,534 0.985,535 1.171,536 1.087,537 1.006,538 1.031,539 1.142,540 0.999,541 6,542 0.124,543 4.222,544 3.583,545 1.614,546 1.289,547 0.755,548 0.662,549 0.563,550 0.351,551 12573,552 35843,553 2.12,554 41.5,556 12,557 1,558 1,559 3,560 1,561 4,564 1.741,565 1.958,566 3.398,567 0.876,569 1,573 85.43,574 1.612,575 4.168,576 5.034,577 5.185,578 5.223,579 5.223,580 2.882,581 4.632,582 4.924,583 3.585,584 1667.1,585 8.625,586 22933,588 1,590 1,591 303.58,592 1.476,593 4.875,594 0.171,595 0.006,596 0.081,597 0.065,598 0.032,599 0.029,600 0.017,601 0.015,602 0.013,603 0.01,604 0.439,605 0.5,606 0.88,607 0.744,608 158.854,609 -0.093,610 -0.113,611 0.035,612 0.003,613 -0.082,614 0.039,615 -0.006,616 0.101,617 0.089,618 0.069,619 0.083,620 0.1,621 -0.036,622 -0.106,623 -0.002,624 -0.05,625 -0.013,626 -0.022,627 0.036,628 0.024,629 -0.049,630 -0.039,631 0.036,632 -0.054,633 -0.059,634 -0.001,635 -0.112,636 -0.032,637 -0.113,638 -0.079,639 0.051,640 0.059,641 0.053,642 0.038,643 0.002,644 0.048,645 0.007,646 -0.061,647 0.04,648 -0.042,649 0.063,650 -0.001,651 -0.104,652 -0.131,653 -0.01,654 -0.046,655 -0.093,656 -0.019,657 2.016,658 5.821,659 0.774,660 28.508,661 1.013,662 1.124,663 1.74,664 3.027,665 0.673,666 3.584,667 3.97,668 4.317,669 4.644,670 4.875,671 5.011,672 5.215,673 5.389,674 5.517,675 5.635,676 6.559,677 0.654,678 418.49,679 3.584,680 5.165,681 6.057,682 6.973,683 7.881,684 8.802,685 9.717,686 10.64,687 11.559,688 12.484,689 7.5,695 1,696 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 53,733 19,734 1,735 35,737 57,738 23,739 13,740 3,741 3,742 3,746 5,747 7,755 2,756 1,758 2,761 17,762 6,763 1,766 3,771 2,773 1,775 3,778 1,781 22,782 7,783 3,784 8,790 4,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,825 1,831 2,840 3,844 1,848 31,849 1,853 1,854 4,856 1,858 1,859 1,870 7.5,872 1,873 2,875 1,877 15.833,878 9.8,879 6.611,880 3.171,881 4.114,882 1.486,883 1.002,884 4.896,885 12.571,886 3.85,887 4.497,888 5.144,889 5.78,890 6.316,891 6.701,892 7.175,893 7.639,894 7.982,895 8.41,896 1,897 55,898 11.525,900 5.167,901 7.903,902 21.725,904 18.627,905 2.403,906 74.5,910 223.651,911 116.894,912 54.706,914 103.973,917 116.894,918 327.624,919 54.706,920 8.396,921 42.178,922 56.429,923 138.327,924 42.015,925 11.771,926 200.109,928 223.651,929 171.6,930 103.973,933 176.567,934 151.057,937 54.839,938 85.256,939 31.505,941 223.651,942 158.679,943 116.894,946 223.651,947 43.022,948 78.896,950 153.656,951 223.651,952 158.679,953 116.894,955 0.598,956 0.365,957 0.202,958 0.107,959 28,960 13,961 0.053,962 3,963 2,964 1.167,965 4.104,966 303.192,967 0.167,968 24,969 149.58,974 19.946,975 7.609,976 3.351,977 1.693,978 156.78,979 10.391,980 4.514,984 2.229,985 1.908,986 75.581,987 499.224,988 46,993 24.349,995 1.7,997 -0.437,999 53.669,1000 59.568,1001 0.281,1002 0.728,1003 0.879,1004 0.905,1005 0.912,1006 0.912,1007 5.13,1008 1.812,1009 6.075,1010 5.752,1011 4.654,1012 5.185,1013 2.216,1014 6.963,1015 4.589,1016 6.365,1017 1.438,1018 7.685,1019 5.125,1020 4.369,1021 5.139,1022 1.668,1023 8.007,1024 4.278,1025 7.703,1026 1.318,1027 9.394,1028 3.902,1029 6.323,1030 7.447,1031 2.942,1032 11.158,1033 6.201,1034 9.078,1035 1.19,1036 11.162,1037 3.472,1038 6.858,1039 8.251,1040 2.996,1041 13.046,1042 6.714,1043 10.488,1044 1.037,1045 12.967,1046 2.838,1047 8.309,1048 10.068,1049 3.992,1050 15.726,1051 8.137,1052 11.923,1053 1,1054 14.797,1055 2.551,1056 9.207,1057 11.267,1058 4.333,1059 17.958,1060 9.013,1061 13.379,1062 0.937,1063 16.648,1064 2.354,1065 10.475,1066 12.9,1067 5.167,1068 20.487,1069 10.254,1070 3.32,1071 -0.01,1072 18.513,1073 2.275,1074 11.533,1075 14.282,1076 5.648,1077 22.857,1078 11.287,1079 3.221,1080 11.953,1081 20.39,1082 -0.029,1083 12.736,1084 15.846,1085 6.391,1086 25.337,1087 12.463,1088 2.802,1089 11.345,1090 22.277,1091 4.707,1092 13.862,1093 17.311,1094 6.945,1095 27.763,1096 13.563,1097 2.555,1098 8.759,1099 24.172,1100 4.204,1101 15.046,1102 18.852,1103 7.638,1104 30.23,1105 14.719,1106 2.397,1107 8.054,1108 26.073,1109 3.273,1110 16.203,1111 20.354,1112 8.229,1113 32.678,1114 15.848,1115 2.006,1116 7.613,1117 27.98,1118 3.25,1119 17.382,1120 21.888,1121 8.895,1122 35.141,1123 17,1124 1.918,1125 6.291,1126 29.892,1127 3.025,1128 18.553,1129 23.408,1130 9.506,1131 37.599,1132 18.142,1133 11796,1134 20058,1135 23.293,1136 35.693,1137 54.699,1138 56.196,1139 56.665,1140 53.967,1141 53.903,1142 69.733,1143 7.092,1144 164.569,1145 52.11,1146 5.738,1147 5.756,1148 6.535,1149 5.355,1150 5.32,1151 7.707,1152 3.272,1153 19.354,1154 5.224,1155 16.479,1156 1.563,1157 1.606,1158 1.619,1159 1.542,1160 1.54,1161 1.992,1162 0.203,1163 4.702,1164 1.489,1165 4.156,1166 4.192,1167 4.128,1168 4.045,1169 7.437,1170 4.062,1171 3.969,1172 3.975,1173 3.941,1174 3.873,1175 7.427,1176 3.887,1177 3.851,1178 3.905,1179 3.748,1180 3.706,1181 6.468,1182 3.707,1183 3.511,1184 3.553,1185 3.446,1186 3.392,1187 5.025,1188 3.4,1189 3.432,1190 3.474,1191 3.353,1192 3.241,1193 4.882,1194 3.259,1195 3.3,1196 3.371,1197 3.189,1198 3.026,1199 4.799,1200 3.061,1201 3.111,1202 3.206,1203 2.95,1204 2.941,1205 4.395,1206 2.91,1207 3.063,1208 3.118,1209 2.871,1210 2.888,1211 4.283,1212 2.89,1213 0.135,1214 0.107,1215 0.2,1216 0.123,1217 0.095,1218 4.738,1219 0.134,1220 3.756,1221 0.054,1222 7,1223 0.342,1224 4.29,1225 0.092,1226 3.32,1227 4.707,1228 1.886,1229 11.953,1230 3.224,1231 1.938,1232 1.904,1233 2.065,1234 2.082,1235 1.414,1236 2.077,1237 1.86,1238 1.847,1239 1.945,1240 1.951,1241 1.093,1242 1.947,1243 1.773,1244 1.732,1245 1.903,1246 1.938,1247 1.047,1248 1.93,1249 1.652,1250 1.61,1251 1.794,1252 1.827,1253 0.885,1254 1.82,1255 1.379,1256 1.337,1257 1.562,1258 1.604,1259 0.825,1260 1.581,1261 1.201,1262 1.14,1263 1.513,1264 1.524,1265 0.651,1266 1.503,1267 1.153,1268 1.064,1269 1.427,1270 1.376,1271 0.53,1272 1.429,1273 1.067,1274 1.032,1275 1.232,1276 1.246,1277 0.295,1278 1.245,1279 4.263,1281 5.631,1282 3.045,1283 7.194,1284 5.533,1285 8.844,1286 7.727,1287 10.542,1289 1.901,1293 5.478,1294 10.054,1295 2.843,1297 5.745,1299 -0.096,1300 2.226,1305 34.686,1306 85.43,1307 220.909,1308 266.825,1309 274.825,1310 276.825,1311 276.825,1312 62.435,1313 8.457,1314 114.59,1315 114.59,1316 28,1317 12.991,1318 4.322,1319 3.585,1320 43.479,1321 119,1322 131,1323 0.176,1324 208.316,1325 364.72,1326 500.05,1327 60245,1329 21.698,1330 0.7,1331 0.55,1332 21.698,1333 17.038,1334 14.936,1335 0.427,1336 0.291,1337 10.027,1338 14.309,1339 9.827,1340 8.068,1341 14.936,1342 10.183,1343 14.064,1344 0.27,1345 0.153,1346 14.064,1347 7.978,1348 12.376,1349 0.167,1350 0.082,1351 12.376,1352 6.064,1353 10.899,1354 0.106,1355 0.043,1356 10.899,1357 4.455,1358 8.688,1359 0.067,1360 0.024,1361 8.688,1362 3.072,1363 0.272,1364 94.139,1365 0.207,1366 28.658,1367 0.498,1368 174,1369 521.604,1370 191.928,1371 500.106,1372 685.24,1373 466,1374 213,1375 512.519,1376 232.401,1377 515.62,1378 764.35,1379 486,1380 7.538}
{0 CHEMBL1094016,1 1.554,2 10.733,3 2.161,4 4.669,5 117.147,6 7.491,7 0.471,8 4.11,9 4.225,10 3.686,11 3.64,12 5.216,13 3.632,14 4.659,15 4.827,16 4.083,17 4.073,18 5.692,19 4.049,20 4.933,21 5.129,22 4.182,23 4.226,24 5.986,25 4.173,26 5.027,27 5.248,28 4.141,29 4.239,30 6.126,31 4.161,32 4.985,33 5.218,34 4.006,35 4.182,36 5.96,37 4.087,38 4.918,39 5.151,40 4.003,41 4.126,42 5.882,43 4.042,44 4.841,45 5.051,46 4,47 4.08,48 5.889,49 4.013,50 4.881,51 5.099,52 3.927,53 4.048,54 5.915,55 3.969,56 0.057,57 0.81,58 11.11,59 4.827,60 12.018,61 6.201,62 0.192,63 1.342,64 21.136,65 8.165,66 20.193,67 10.894,68 0.349,69 1.637,70 29.675,71 11.135,72 41.477,73 15.135,74 0.575,75 1.746,76 34.057,77 12.136,78 76.357,79 16.82,80 0.454,81 1.652,82 33.156,83 11.8,84 54.522,85 16.382,86 0.469,87 1.574,88 30.772,89 10.61,90 42.72,91 15.06,92 0.366,93 1.463,94 27.721,95 9.963,96 41.472,97 13.706,98 0.415,99 1.452,100 29.871,101 10.453,102 51.698,103 14.181,104 18,105 50,106 0.255,107 0.66,108 0.811,109 0.852,110 0.858,111 0.858,112 3.441,113 0.902,114 -3.39,115 -3.37,116 -3.22,119 42.6,121 2,122 1,124 1,125 3,135 1,138 1,142 4,143 3,144 3,145 1,151 1,157 1,161 1,163 1,164 1,165 1,172 6,174 1,175 12,180 3,183 6,185 1,186 1,187 7,192 3,195 3,197 2,198 2,199 8,202 2,204 1,207 7,211 1,212 2,214 1,215 1,217 1,220 8,223 3,224 6,229 1,232 6,236 2,237 6,242 3,245 4,247 2,250 6,253 1,255 1,258 1,260 1,263 7,265 2,266 4,268 2,271 4,273 1,275 1458,276 20.524,277 20.524,278 20.524,279 20.524,280 20.524,281 18.314,282 23.17,283 11.728,284 20.914,285 16.699,286 16.699,287 16.699,288 16.699,289 16.699,290 13.229,291 26.905,292 5.448,293 17.358,294 4.201,295 1.735,296 0.82,297 0.57,298 0.532,299 0.532,300 4.15,304 1,305 1,306 713,307 2.828,310 114.567,311 232.479,314 223.08,318 1.733,319 31.933,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 65,331 322,332 4.738,333 3.756,334 6.999,335 4.289,336 3.32,337 4.707,338 0.86,339 11.953,340 3.224,341 4.567,342 3.377,343 6.862,344 4.196,345 3.221,346 4.204,347 0.8,348 11.345,349 3.139,350 3.91,351 2.913,352 6.07,353 3.67,354 2.724,355 3.27,357 8.711,358 2.59,359 3.829,360 2.817,361 5.735,362 3.373,363 2.4,364 3.248,366 7.613,367 2.336,368 3.476,369 2.571,370 5.405,371 3.334,372 2.368,373 2.702,375 6.833,376 2.269,377 3.376,378 2.424,379 5.268,380 2.962,381 2,382 2.523,384 6.239,385 1.928,386 3.279,387 2.16,388 5.074,389 2.874,390 1.916,391 2.521,393 5.751,394 1.805,395 2.992,396 1.905,397 4.82,398 2.683,399 1.744,400 2.099,402 5.03,403 1.634,404 2.915,405 1.759,406 4.404,407 2.412,408 1.436,409 2.022,411 3.902,412 1.395,413 2.674,414 1.342,415 4.156,416 2.185,417 1.212,418 1.747,420 3.283,421 1.177,422 2.55,423 1.268,424 3.716,425 2.072,426 1.105,427 1.476,428 2.707,429 1.06,430 2.352,431 1.158,432 3.56,433 1.984,434 1,435 1.28,436 2.372,437 0.983,438 2,439 1.077,440 3.414,441 1.95,442 0.992,443 1,445 2.275,446 0.937,447 1.527,448 0.74,449 3.033,450 1.437,451 0.496,452 0.507,454 0.778,455 0.465,456 1.398,457 0.654,458 2.804,459 0.949,460 -0.014,461 -0.018,463 -0.038,464 -0.013,465 14.1,466 0.47,467 0.781,468 0.026,469 38.75,470 1.292,471 18.5,472 0.617,473 20.25,474 0.675,475 26.33,476 0.878,477 32.1,478 0.594,479 30.352,480 1.012,481 7.418,482 0.247,483 7.145,484 0.238,485 0.111,487 0.411,493 0.883,494 1.295,495 0.785,496 1.043,497 0.786,498 0.916,499 0.886,500 1.019,501 0.821,502 0.924,503 0.592,504 0.854,505 0.87,506 1.126,507 0.872,508 1.04,509 0.715,510 0.967,511 0.797,512 0.975,513 0.936,514 1.004,515 0.741,516 0.989,517 0.936,518 0.958,519 0.997,520 0.982,521 0.919,522 0.997,523 0.81,524 0.96,525 0.94,526 0.945,527 0.785,528 0.952,529 0.934,530 1.088,531 0.956,532 1.047,533 0.702,534 1.01,535 1.187,536 1.103,537 1.033,538 1.053,539 1.219,540 1.032,541 5.5,542 0.107,543 3.778,544 3.333,545 1.574,546 1.227,547 0.714,548 0.631,549 0.499,550 0.29,551 11510,552 28483,553 2.145,554 44.4,556 14,557 1,558 1,559 3,561 5,564 1.733,565 2,566 3.373,567 0.867,569 1,573 83.928,574 1.554,575 4.02,576 4.935,577 5.185,578 5.222,579 5.222,580 2.886,581 4.64,582 4.877,583 3.535,584 1537.82,585 8.533,586 20555.5,588 1,590 1,591 310.764,592 1.429,593 4.837,594 0.162,595 0.005,596 0.076,597 0.063,598 0.032,599 0.029,600 0.017,601 0.015,602 0.013,603 0.009,604 0.419,605 0.5,606 0.88,607 0.715,608 151.761,609 -0.083,610 -0.115,611 0.046,612 0.002,613 -0.087,614 0.039,615 -0.058,616 0.114,617 0.07,618 0.078,619 0.022,620 0.101,621 0.04,622 -0.099,623 0.066,624 -0.035,625 0.09,626 0.014,627 0.135,628 0.027,629 0.033,630 -0.021,631 0.174,632 -0.009,633 -0.036,634 0.023,635 -0.023,636 0.004,637 -0.059,638 -0.006,639 0.055,640 0.053,641 0.03,642 0.027,643 -0.015,644 0.027,645 0.015,646 -0.073,647 0.003,648 -0.06,649 0.07,650 -0.035,651 -0.083,652 -0.143,653 -0.04,654 -0.068,655 -0.095,656 -0.055,657 1.977,658 5.823,659 0.8,660 26.413,661 1.004,662 1.125,663 2.156,664 4.649,665 0.667,666 3.555,667 3.932,668 4.29,669 4.625,670 4.86,671 4.984,672 5.182,673 5.361,674 5.476,675 5.591,676 6.337,677 0.639,678 404.51,679 3.555,680 5.13,681 6.023,682 6.938,683 7.848,684 8.769,685 9.686,686 10.61,687 11.53,688 12.455,689 7.4,690 1,695 1,697 1,699 1,703 2,704 6,705 1,709 5,710 1,711 16,716 1,726 1,728 1,729 1,731 54,733 18,734 1,735 34,737 58,738 23,739 13,740 3,741 3,742 3,746 5,747 7,752 1,755 2,756 1,758 2,761 16,762 7,763 1,766 2,771 1,773 1,775 2,778 1,781 24,782 6,783 3,784 7,790 4,794 0.6,795 3,805 1,807 1,811 2,812 3,815 2,831 2,833 1,840 3,844 1,848 30,849 1,853 1,854 5,856 1,858 1,859 1,870 5.6,872 1,873 1,875 1,877 15,878 9.883,879 6.5,880 3.296,881 4.031,882 1.481,883 1.005,884 4.857,885 12.405,886 3.807,887 4.451,888 5.12,889 5.767,890 6.308,891 6.691,892 7.163,893 7.626,894 7.96,895 8.385,896 1,897 53,898 11.148,900 4.943,901 7.744,902 21.389,904 18.392,905 2.244,906 67.333,910 247.193,911 114.295,912 54.706,914 78.828,917 114.295,918 326.021,919 54.706,920 8.396,921 44.283,922 56.429,923 108.477,924 42.015,925 11.771,926 223.651,928 247.193,929 169.001,930 78.828,933 188.338,934 137.684,937 56.945,938 80.551,939 31.505,941 247.193,942 133.534,943 114.295,946 247.193,947 40.423,948 78.896,950 128.511,951 247.193,952 133.534,953 114.295,955 0.591,956 0.367,957 0.208,958 0.111,959 27,960 12,961 0.052,962 3,963 2,964 1.167,965 4.047,966 290.539,967 0.167,968 24,969 143.207,974 19.31,975 7.546,976 3.25,977 1.849,978 131.635,979 10.661,980 4.557,984 2.504,985 1.96,986 75.581,987 495.023,988 44,993 12.823,995 1.752,997 -0.107,999 54.225,1000 60.773,1001 0.27,1002 0.698,1003 0.858,1004 0.901,1005 0.907,1006 0.907,1007 5.081,1008 1.744,1009 6.033,1010 5.751,1011 4.615,1012 5.139,1013 1.235,1014 6.919,1015 4.542,1016 6.308,1017 1.436,1018 7.638,1019 5.03,1020 4.29,1021 5.066,1022 0.325,1023 7.955,1024 4.184,1025 7.643,1026 1.212,1027 9.343,1028 3.902,1029 6.279,1030 7.409,1031 0.938,1032 11.114,1033 6.142,1034 9.018,1035 1.105,1036 11.107,1037 3.283,1038 6.792,1039 8.208,1040 0.268,1041 13.007,1042 6.628,1043 10.429,1044 1,1045 12.911,1046 2.707,1047 8.259,1048 10.042,1049 0.732,1050 15.694,1051 8.067,1052 11.867,1053 0.992,1054 14.741,1055 2.372,1056 9.151,1057 11.244,1058 0.188,1059 17.933,1060 8.933,1061 13.326,1062 0.496,1063 16.592,1064 2.275,1065 10.427,1066 12.885,1067 0.57,1068 20.467,1069 10.182,1070 3.32,1071 -0.014,1072 18.46,1073 0.778,1074 11.485,1075 14.271,1076 0.125,1077 22.842,1078 11.214,1079 3.221,1080 11.953,1081 20.34,1082 -0.038,1083 12.694,1084 15.839,1085 0.438,1086 25.326,1087 12.397,1088 2.724,1089 11.345,1090 22.23,1091 4.707,1092 13.823,1093 17.306,1094 0.082,1095 27.755,1096 13.5,1097 2.4,1098 8.711,1099 24.128,1100 4.204,1101 15.011,1102 18.848,1103 0.334,1104 30.224,1105 14.662,1106 2.368,1107 7.613,1108 26.033,1109 3.27,1110 16.172,1111 20.352,1112 0.054,1113 32.673,1114 15.795,1115 2,1116 6.833,1117 27.944,1118 3.248,1119 17.355,1120 21.887,1121 0.252,1122 35.138,1123 16.952,1124 1.916,1125 6.239,1126 29.86,1127 2.702,1128 18.529,1129 23.407,1130 0.035,1131 37.597,1132 18.099,1133 10753,1134 17135,1135 22.887,1136 36,1137 52.341,1138 53.685,1139 54.679,1140 51.915,1141 51.869,1142 66.611,1143 3.32,1144 157.584,1145 49.883,1146 5.738,1147 5.756,1148 6.551,1149 5.354,1150 5.32,1151 7.707,1152 1.72,1153 19.353,1154 5.224,1155 14.313,1156 1.539,1157 1.579,1158 1.608,1159 1.527,1160 1.526,1161 1.959,1162 0.098,1163 4.635,1164 1.467,1165 4.156,1166 4.192,1167 4.128,1168 4.045,1169 7.428,1170 4.062,1171 3.969,1172 3.975,1173 3.941,1174 3.873,1175 6.468,1176 3.887,1177 3.845,1178 3.909,1179 3.722,1180 3.708,1181 5.032,1182 3.702,1183 3.507,1184 3.556,1185 3.437,1186 3.393,1187 4.999,1188 3.399,1189 3.426,1190 3.475,1191 3.328,1192 3.242,1193 4.799,1194 3.256,1195 3.278,1196 3.379,1197 3.114,1198 3.031,1199 4.396,1200 3.037,1201 3.111,1202 3.206,1203 2.942,1204 2.941,1205 4.285,1206 2.91,1207 3.063,1208 3.118,1209 2.868,1210 2.888,1211 4.22,1212 2.888,1213 0.139,1214 0.11,1215 0.206,1216 0.126,1217 0.098,1218 4.738,1219 0.138,1220 3.756,1221 0.025,1222 6.999,1223 0.352,1224 4.289,1225 0.095,1226 3.32,1227 4.707,1228 0.86,1229 11.953,1230 3.224,1231 1.94,1232 1.905,1233 2.082,1234 2.084,1235 1.449,1236 2.084,1237 1.86,1238 1.847,1239 1.945,1240 1.951,1241 1.104,1242 1.948,1243 1.783,1244 1.735,1245 1.915,1246 1.943,1247 1.048,1248 1.94,1249 1.652,1250 1.61,1251 1.794,1252 1.828,1253 0.885,1254 1.821,1255 1.384,1256 1.337,1257 1.591,1258 1.613,1259 0.825,1260 1.607,1261 1.248,1262 1.152,1263 1.537,1264 1.535,1265 0.763,1266 1.537,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.602,1272 1.429,1273 1.067,1274 1.032,1275 1.233,1276 1.246,1277 0.296,1278 1.246,1279 4.234,1281 5.595,1282 3.045,1283 7.155,1284 5.533,1285 8.806,1286 7.727,1287 10.506,1289 1.944,1293 5.853,1294 10.06,1295 4.76,1297 5.771,1299 0.576,1300 2.371,1305 34.498,1306 83.928,1307 217.055,1308 266.499,1309 280.009,1310 282.009,1311 282.009,1312 53.361,1313 8.374,1314 97.52,1315 97.52,1316 28,1317 12.961,1318 4.248,1319 3.459,1320 41.426,1321 112,1322 136,1323 0.18,1324 207.247,1325 358.57,1326 497.442,1327 54310,1329 20.828,1330 0.694,1331 0.561,1332 20.828,1333 16.837,1334 14.563,1335 0.428,1336 0.301,1337 10.071,1338 14.002,1339 9.862,1340 8.123,1341 14.563,1342 10.218,1343 13.334,1344 0.267,1345 0.16,1346 13.334,1347 7.98,1348 12.085,1349 0.168,1350 0.085,1351 12.085,1352 6.115,1353 10.684,1354 0.106,1355 0.044,1356 10.684,1357 4.459,1358 8.595,1359 0.067,1360 0.024,1361 8.595,1362 3.115,1363 0.277,1364 91.391,1365 0.209,1366 27.838,1367 0.511,1368 168,1369 461.868,1370 183.381,1371 445.711,1372 621.2,1373 418,1374 206,1375 472.461,1376 223.573,1377 476.606,1378 710.31,1379 450,1380 6.81}
{0 CHEMBL1094017,1 1.619,2 10.7,3 2.129,4 4.534,5 114.692,6 7.817,7 0.471,8 4.09,9 4.194,10 3.699,11 3.587,12 5.24,13 3.599,14 4.629,15 4.799,16 4.105,17 4.008,18 5.724,19 4.016,20 4.858,21 5.023,22 4.189,23 4.173,24 6,25 4.146,26 4.985,27 5.194,28 4.171,29 4.2,30 6.187,31 4.135,32 4.929,33 5.142,34 4.026,35 4.128,36 5.959,37 4.06,38 4.865,39 5.077,40 4.04,41 4.078,42 5.973,43 4.018,44 4.823,45 5.029,46 3.994,47 4.024,48 5.917,49 3.971,50 4.831,51 5.048,52 3.905,53 3.974,54 5.891,55 3.91,56 0.107,57 0.787,58 10.094,59 4.531,60 13.468,61 5.537,62 0.322,63 1.303,64 19.947,65 7.094,66 19.903,67 9.22,68 0.493,69 1.535,70 25.65,71 9.839,72 43.485,73 12.495,74 0.782,75 1.639,76 31.908,77 11.9,78 94.665,79 16.176,80 0.565,81 1.537,82 30.612,83 10.916,84 57.398,85 14.555,86 0.602,87 1.505,88 27.931,89 9.684,90 62.073,91 13.462,92 0.547,93 1.424,94 26.893,95 9.379,96 49.44,97 12.555,98 0.528,99 1.348,100 28.358,101 9.864,102 56.858,103 13.147,104 26,105 51,106 0.268,107 0.643,108 0.77,109 0.836,110 0.849,111 0.849,112 3.441,113 0.865,114 -2.69,115 -2.71,116 -2.63,119 42.3,124 2,125 4,135 1,138 1,142 3,143 3,144 4,145 1,151 1,157 1,161 1,172 2,174 1,175 10,180 4,183 5,186 2,187 5,195 2,198 2,199 8,202 3,203 1,204 2,207 3,211 1,212 3,217 1,220 3,223 3,224 3,227 1,229 2,232 2,236 4,237 5,242 2,245 2,250 3,253 1,255 1,258 1,262 1,263 2,266 3,268 1,271 1,275 1430,276 20.102,277 20.102,278 20.102,279 20.102,280 20.102,281 17.866,282 26.173,283 11.413,284 20.641,285 16.771,286 16.771,287 16.771,288 16.771,289 16.771,290 13.218,291 35.608,292 5.422,293 17.656,294 4.081,295 1.814,296 1.044,297 0.644,298 0.567,299 0.567,300 4.147,304 1,305 1,306 711,307 2.739,310 114.414,311 230.312,314 221.87,318 1.52,319 36.103,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 66,331 321,332 4.738,333 3.76,334 7,335 4.292,336 3.322,337 4.707,338 0.86,339 11.954,340 3.227,341 4.587,342 3.38,343 6.871,344 4.209,345 3.236,346 4.249,347 0.8,348 11.39,349 3.147,350 3.932,351 2.953,352 6.069,353 3.64,354 2.712,355 3.358,356 0.8,357 8.703,358 2.521,359 3.882,360 2.918,361 5.764,362 3.459,363 2.494,364 3.256,366 7.754,367 2.396,368 3.511,369 2.597,370 5.398,371 3.212,372 2.29,373 2.855,375 6.526,376 2.11,377 3.398,378 2.574,379 5.144,380 3.08,381 2.119,382 2.589,384 6.142,385 2.028,386 3.315,387 2.298,388 5.063,389 2.912,390 1.979,391 2.457,393 5.952,394 1.835,395 3.176,396 2.162,397 4.952,398 2.733,399 1.77,400 2.402,402 5.46,403 1.691,404 2.949,405 1.908,406 4.765,407 2.641,408 1.713,409 2.022,411 4.903,412 1.584,413 2.756,414 1.753,415 4.233,416 2.244,417 1.267,418 1.803,420 3.393,421 1.226,422 2.619,423 1.258,424 4.131,425 2.142,426 1.184,427 1.58,428 3.245,429 1.125,430 2.334,431 1.146,432 3.698,433 1.967,434 1.023,435 1.28,436 2.641,437 0.965,438 2,439 1.146,440 3.414,441 1.959,442 1,443 1,445 2.275,446 0.951,447 1.449,448 0.723,449 3.062,450 0.988,451 0.014,452 0.018,454 0.039,455 0.013,456 1.177,457 0.143,458 2.726,459 0.841,460 -0.121,461 -0.138,463 -0.283,464 -0.116,465 13.933,466 0.464,467 0.925,468 0.031,469 40,470 1.333,471 19,472 0.633,473 21,474 0.7,475 24.822,476 0.827,477 32.267,478 0.621,479 32.758,480 1.092,481 7.981,482 0.266,483 6.438,484 0.215,485 0.144,487 0.445,493 0.902,494 1.449,495 0.746,496 1.101,497 0.79,498 0.927,499 0.95,500 0.938,501 0.766,502 0.772,503 0.544,504 0.703,505 0.976,506 1.108,507 0.975,508 1.074,509 0.846,510 1.025,511 0.543,512 0.985,513 0.827,514 1.044,515 0.522,516 1.002,517 0.991,518 1.018,519 0.998,520 1,521 0.942,522 1.003,523 0.692,524 1.077,525 0.934,526 1.03,527 0.622,528 1.022,529 0.922,530 1.023,531 0.986,532 1.026,533 0.773,534 1.018,535 1.062,536 1.075,537 0.973,538 1.037,539 1.063,540 1.004,541 6.5,542 0.16,543 3.778,544 3.646,545 1.725,546 1.355,547 0.729,548 0.672,549 0.493,550 0.319,551 11364,552 30631,553 2.124,554 42.3,556 18,557 1,558 1,559 2,564 1.733,565 1.957,566 3.369,567 0.243,568 1,569 1,573 84.208,574 1.619,575 3.887,576 4.657,577 5.056,578 5.133,579 5.133,580 2.848,581 4.707,582 4.88,583 3.507,584 1525.71,585 8.536,586 20316.4,588 1,590 1,591 296.423,592 1.482,593 4.825,594 0.191,595 0.007,596 0.074,597 0.069,598 0.034,599 0.031,600 0.017,601 0.016,602 0.013,603 0.01,604 0.462,605 0.5,606 0.88,607 0.594,608 151.442,609 -0.1,610 -0.273,611 0.046,612 -0.063,613 -0.099,614 0.003,615 -0.118,616 0.227,617 0.113,618 0.192,619 0.043,620 0.217,621 -0.047,622 -0.037,623 -0.075,624 -0.074,625 -0.008,626 -0.074,627 0.3,628 -0.007,629 0.129,630 -0.036,631 0.316,632 0.006,633 -0.084,634 -0.044,635 -0.03,636 -0.003,637 -0.083,638 -0.006,639 0.118,640 -0.041,641 0.012,642 -0.058,643 0.118,644 -0.045,645 -0.003,647 -0.028,648 -0.055,649 0.016,650 -0.05,651 -0.066,652 -0.135,653 0.023,654 -0.045,655 -0.058,656 -0.005,657 2.079,658 5.826,659 0.8,660 25.333,661 1.013,662 1.126,663 1.461,664 2.134,665 0.667,666 3.555,667 3.951,668 4.29,669 4.644,670 4.883,671 5.024,672 5.193,673 5.371,674 5.485,675 5.598,676 6.247,677 0.648,678 406.48,679 3.555,680 5.142,681 6.033,682 6.956,683 7.864,684 8.792,685 9.708,686 10.637,687 11.557,688 12.487,689 7.7,692 1,695 1,697 1,699 1,703 2,704 5,705 1,709 6,710 1,711 16,716 1,726 1,728 2,729 1,731 52,733 18,734 1,735 34,737 56,738 22,739 13,740 4,741 2,742 3,746 5,747 7,761 16,762 6,766 2,771 1,773 1,775 2,778 1,781 22,782 7,783 2,784 8,790 4,794 0.6,795 4,805 1,807 1,811 2,812 3,815 2,831 2,836 1,840 3,844 2,848 30,853 2,854 4,856 1,859 2,870 7.7,872 2,873 1,875 1,877 15.333,878 10.033,879 6.333,880 3.024,881 4.03,882 1.481,883 0.983,884 4.635,885 12.405,886 3.807,887 4.474,888 5.135,889 5.796,890 6.339,891 6.749,892 7.185,893 7.643,894 7.986,895 8.418,896 1,897 53,898 11.153,900 4.979,901 7.839,902 21.096,904 17.929,905 2.339,906 70.167,910 235.422,911 110.252,912 24.933,914 121.512,917 110.252,918 356.934,919 24.933,920 16.793,921 8.423,922 46.952,923 151.16,924 45.139,925 11.771,926 211.88,928 235.422,929 135.185,930 121.512,933 235.422,934 121.512,937 24.209,938 79.471,939 31.505,941 235.422,942 146.445,943 110.252,946 235.422,947 37.459,948 80.94,950 138.297,951 235.422,952 146.445,953 110.252,955 0.6,956 0.361,957 0.207,958 0.113,959 28,960 13,961 0.036,962 2,963 2,964 1.167,965 4.008,966 292.724,967 0.167,968 24,969 141.207,974 19.273,975 7.215,976 3.238,977 1.776,978 144.546,979 8.193,980 4.528,984 1.652,985 1.928,986 85.367,987 492.119,988 44,993 12.826,995 1.683,997 -0.309,999 52.669,1000 58.568,1001 0.284,1002 0.682,1003 0.817,1004 0.887,1005 0.9,1006 0.9,1007 5.094,1008 1.77,1009 6.057,1010 5.952,1011 4.635,1012 5.162,1013 1.481,1014 6.946,1015 4.54,1016 6.335,1017 1.713,1018 7.664,1019 5.46,1020 4.369,1021 5.147,1022 0.57,1023 7.974,1024 4.231,1025 7.677,1026 1.267,1027 9.37,1028 4.903,1029 6.304,1030 7.446,1031 1.104,1032 11.136,1033 6.136,1034 9.056,1035 1.184,1036 11.132,1037 3.393,1038 6.836,1039 8.263,1040 0.479,1041 13.015,1042 6.639,1043 10.468,1044 1.023,1045 12.932,1046 3.245,1047 8.284,1048 10.08,1049 0.854,1050 15.709,1051 8.059,1052 11.906,1053 1,1054 14.759,1055 2.641,1056 9.182,1057 11.288,1058 0.346,1059 17.943,1060 8.934,1061 13.365,1062 0.014,1063 16.608,1064 2.275,1065 10.451,1066 12.921,1067 0.661,1068 20.481,1069 10.178,1070 3.322,1071 -0.121,1072 18.473,1073 0.039,1074 11.512,1075 14.308,1076 0.237,1077 22.855,1078 11.217,1079 3.236,1080 11.954,1081 20.351,1082 -0.283,1083 12.72,1084 15.873,1085 0.505,1086 25.342,1087 12.399,1088 2.712,1089 11.39,1090 22.24,1091 4.707,1092 13.851,1093 17.339,1094 0.158,1095 27.771,1096 13.508,1097 2.494,1098 8.703,1099 24.138,1100 4.249,1101 15.04,1102 18.88,1103 0.382,1104 30.241,1105 14.671,1106 2.29,1107 7.754,1108 26.043,1109 3.358,1110 16.202,1111 20.383,1112 0.104,1113 32.691,1114 15.809,1115 2.119,1116 6.526,1117 27.953,1118 3.256,1119 17.386,1120 21.916,1121 0.285,1122 35.157,1123 16.968,1124 1.979,1125 6.142,1126 29.869,1127 2.855,1128 18.562,1129 23.436,1130 0.068,1131 37.616,1132 18.118,1133 10624,1134 17668,1135 22.6,1136 34.693,1137 53.059,1138 54.034,1139 55.13,1140 52.358,1141 52.243,1142 67.15,1143 4.92,1144 160.754,1145 49.638,1146 5.738,1147 5.76,1148 6.51,1149 5.36,1150 5.322,1151 7.707,1152 1.72,1153 19.353,1154 5.227,1155 15.958,1156 1.561,1157 1.589,1158 1.621,1159 1.54,1160 1.537,1161 1.975,1162 0.145,1163 4.728,1164 1.46,1165 4.155,1166 4.19,1167 4.128,1168 4.043,1169 7.428,1170 4.06,1171 3.973,1172 3.974,1173 3.951,1174 3.871,1175 6.492,1176 3.888,1177 3.799,1178 3.877,1179 3.684,1180 3.596,1181 6.445,1182 3.607,1183 3.505,1184 3.537,1185 3.451,1186 3.378,1187 5.024,1188 3.39,1189 3.414,1190 3.466,1191 3.315,1192 3.227,1193 4.753,1194 3.241,1195 3.166,1196 3.268,1197 3.024,1198 2.941,1199 4.402,1200 2.935,1201 3.111,1202 3.206,1203 2.939,1204 2.926,1205 4.33,1206 2.91,1207 3.074,1208 3.123,1209 2.866,1210 2.871,1211 4.106,1212 2.867,1213 0.139,1214 0.111,1215 0.206,1216 0.126,1217 0.098,1218 4.738,1219 0.138,1220 3.76,1221 0.025,1222 7,1223 0.352,1224 4.292,1225 0.095,1226 3.322,1227 4.707,1228 0.86,1229 11.954,1230 3.227,1231 1.925,1232 1.893,1233 2.029,1234 2.076,1235 1.31,1236 2.065,1237 1.85,1238 1.844,1239 1.912,1240 1.952,1241 1.068,1242 1.937,1243 1.703,1244 1.638,1245 1.879,1246 1.923,1247 1.032,1248 1.914,1249 1.651,1250 1.605,1251 1.793,1252 1.823,1253 0.885,1254 1.817,1255 1.372,1256 1.328,1257 1.569,1258 1.586,1259 0.825,1260 1.574,1261 1.153,1262 1.064,1263 1.518,1264 1.436,1265 0.658,1266 1.468,1267 1.15,1268 1.051,1269 1.513,1270 1.376,1271 0.589,1272 1.429,1273 1.064,1274 1.027,1275 1.221,1276 1.261,1277 0.278,1278 1.247,1279 4.234,1281 5.609,1282 3.045,1283 7.174,1284 5.533,1285 8.828,1286 7.727,1287 10.532,1289 4.035,1294 19.757,1295 3.78,1297 5.684,1300 4.634,1305 33.686,1306 84.208,1307 202.1,1308 242.158,1309 262.913,1310 266.913,1311 266.913,1312 55.783,1313 8.375,1314 94.97,1315 94.97,1316 28,1317 12.991,1318 4.248,1319 3.459,1320 41.417,1321 111,1322 122,1323 0.182,1324 201.651,1325 350.06,1326 483.787,1327 53726,1329 20.991,1330 0.7,1331 0.56,1332 20.991,1333 16.792,1334 14.419,1335 0.424,1336 0.288,1337 9.615,1338 13.718,1339 9.371,1340 7.712,1341 14.419,1342 9.799,1343 13.811,1344 0.271,1345 0.153,1346 13.811,1347 7.792,1348 11.922,1349 0.166,1350 0.08,1351 11.922,1352 5.732,1353 10.827,1354 0.105,1355 0.04,1356 10.827,1357 4.16,1358 8.629,1359 0.066,1360 0.022,1361 8.629,1362 2.915,1363 0.279,1364 91.446,1365 0.21,1366 27.752,1367 0.518,1368 170,1369 508.351,1370 188.539,1371 486.154,1372 669.53,1373 454,1374 208,1375 503.829,1376 228.789,1377 508.38,1378 754.37,1379 477,1380 7.367}
{0 CHEMBL1094981,1 1.697,2 15.5,3 2.226,4 4.956,5 145.467,6 7.396,7 0.364,8 4.428,9 4.558,10 3.984,11 3.852,12 5.495,13 3.86,14 5.022,15 5.216,16 4.351,17 4.25,18 6.109,19 4.235,20 5.272,21 5.501,22 4.407,23 4.405,24 6.271,25 4.363,26 5.309,27 5.543,28 4.431,29 4.424,30 6.376,31 4.383,32 5.277,33 5.489,34 4.424,35 4.445,36 6.435,37 4.403,38 5.269,39 5.483,40 4.398,41 4.5,42 6.237,43 4.426,44 5.362,45 5.613,46 4.369,47 4.508,48 6.297,49 4.412,50 5.339,51 5.593,52 4.319,53 4.469,54 6.313,55 4.358,56 0.142,57 1.214,58 16.053,59 6.178,60 13.131,61 8.702,62 0.863,63 1.876,64 33.499,65 10.02,66 64.106,67 14.777,68 0.99,69 2.194,70 45.156,71 12.17,72 80.727,73 18.989,74 1.009,75 2.223,76 46.973,77 12.74,78 96.164,79 19.557,80 1.189,81 2.222,82 44.974,83 12.356,84 144.963,85 18.725,86 0.758,87 2.344,88 42.408,89 13.709,90 60.854,91 20.692,92 0.916,93 2.37,94 49.02,95 14.948,96 75.044,97 23.36,98 0.888,99 2.271,100 48.398,101 16.518,102 92.03,103 24.212,104 40,105 61,106 0.262,107 0.592,108 0.779,109 0.819,110 0.819,111 0.819,112 3.718,113 0.932,114 -4.2,115 -4.14,116 -3.91,119 36,120 2,121 2,125 8,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 13,178 2,179 1,180 2,183 6,186 2,187 6,192 2,195 2,198 6,199 18,204 3,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 8,236 5,237 3,245 4,249 6,250 7,253 4,255 1,258 4,263 8,266 1,275 3716,276 27.231,277 27.231,278 27.231,279 27.231,280 27.231,281 25.213,282 36.607,283 16.313,284 28.114,285 21.727,286 21.727,287 21.727,288 21.727,289 21.727,290 18.423,291 47.951,292 7.748,293 23.125,294 4.532,295 2.398,296 1.183,297 0.927,298 0.927,299 0.927,300 4.422,306 1327,307 4.359,310 100.398,311 499.859,314 180.055,318 2.425,319 49.048,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 89.5,331 620,332 4.693,333 3.784,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.546,343 6.332,344 3.842,345 2.895,346 3.796,347 1.656,348 9.602,349 2.763,350 4.022,351 3.378,352 6.107,353 3.754,354 2.79,355 3.37,356 0.86,357 8.931,358 2.668,359 3.932,360 3.029,361 6.037,362 3.652,363 2.727,364 3.164,365 0.8,366 8.62,367 2.511,368 3.82,369 2.822,370 5.564,371 3.494,372 2.534,373 3.117,374 0.655,375 7.354,376 2.424,377 3.478,378 2.581,379 5.47,380 3.245,381 2.296,382 2.707,383 0.247,384 7.101,385 2.168,386 3.415,387 2.473,388 4.83,389 3.069,390 2.104,391 2.507,392 0.13,393 5.521,394 2.03,395 3.122,396 2.381,397 4.815,398 3.008,399 2.068,400 2.17,402 5.339,403 1.921,404 2.97,405 2.266,406 4.697,407 2.689,408 1.763,409 2.142,411 4.835,412 1.628,413 2.939,414 2.168,415 4.419,416 2.458,417 1.514,418 1.992,420 4.28,421 1.425,422 2.639,423 2.063,424 4.137,425 2.301,426 1.358,427 1.648,428 3.417,429 1.264,430 2.5,431 1.535,432 3.789,433 2.281,434 1.348,435 1.5,436 2.919,437 1.236,438 2.484,439 1.528,440 3.755,441 2.085,442 1.178,443 1.467,445 2.716,446 1.057,447 2.437,448 1.256,449 3.427,450 2,451 1.031,452 1.415,454 2.492,455 1,456 2.3,457 1.22,458 3.414,459 1.99,460 1,461 1.241,463 2.275,464 0.983,465 18.319,466 0.458,467 0.921,468 0.023,469 46,470 1.15,471 18,472 0.45,473 28,474 0.7,475 41.874,476 1.047,477 45.881,478 0.612,479 40.83,480 1.021,481 9.007,482 0.225,483 10.417,484 0.26,485 0.107,487 0.338,488 1,493 0.739,494 1.528,495 0.765,496 1.339,497 0.557,498 1.098,499 0.885,500 1.093,501 0.901,502 0.986,503 0.646,504 0.95,505 1.048,506 1.015,507 0.969,508 0.921,509 0.791,510 0.919,511 1.027,512 0.907,513 0.968,514 0.902,515 1.042,516 0.909,517 1.121,518 0.902,519 1.085,520 0.884,521 1.226,522 0.957,523 0.72,524 1.106,525 1.075,526 1.191,527 0.617,528 1.203,529 0.596,530 0.974,531 0.941,532 1.056,533 0.418,534 1.063,535 0.524,536 0.95,537 0.872,538 1.143,539 0.525,540 1.105,541 7.5,542 0.408,543 4.444,544 2.285,545 1.925,546 1.698,547 1.095,548 0.585,549 0.396,550 0.408,551 26081,552 75486,553 2.092,554 46.7,556 22,558 1,559 2,561 6,562 4,564 1.803,565 1.967,566 3.837,567 0.224,573 127.255,574 1.697,575 3.831,576 5.046,577 5.302,578 5.302,579 5.302,580 3.344,581 4.903,582 5.28,583 4.049,584 3158.39,585 9.349,586 54952,591 467.161,592 1.376,593 5.257,594 0.17,595 0.009,596 0.073,597 0.036,598 0.03,599 0.026,600 0.017,601 0.01,602 0.007,603 0.008,604 0.386,605 0.33,606 0.63,607 1.422,608 226.182,609 -0.029,610 -0.292,611 0.069,612 -0.163,613 -0.023,614 -0.047,615 0.077,616 0.02,617 0.038,618 0.039,619 0.064,620 0.026,621 -0.111,622 -0.024,623 -0.005,624 0.06,625 -0.048,626 0.054,627 -0.109,628 0.049,629 -0.003,630 0.058,631 -0.086,632 0.054,633 -0.126,634 0.089,635 -0.126,636 0.104,637 -0.078,638 0.008,639 -0.048,640 -0.054,641 -0.181,642 -0.141,643 -0.062,644 -0.185,645 0.052,646 -0.025,647 -0.018,648 -0.044,649 0.053,650 -0.043,651 0.162,652 0.014,653 0.059,654 -0.092,655 0.117,656 -0.055,657 2.134,658 5.368,659 0.675,660 61.235,661 1.013,662 1.146,663 2.97,664 8.822,665 0.633,666 3.807,667 4.127,668 4.407,669 4.7,670 4.97,671 5.147,672 5.398,673 5.602,674 5.775,675 5.956,676 8.743,677 0.611,678 554.7,679 3.807,680 5.352,681 6.205,682 7.088,683 7.965,684 8.859,685 9.75,686 10.653,687 11.554,688 12.463,689 10.7,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 75,733 18,734 1,735 44,737 79,738 27,739 11,740 2,741 4,744 1,746 5,747 6,751 1,752 3,755 3,758 4,761 13,762 14,766 2,771 2,775 2,779 1,781 35,782 12,783 2,784 13,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 2,846 1,848 40,854 10,855 2,856 2,858 2,859 2,869 1,870 5.3,873 2,874 1,875 1,877 20.333,878 13.843,879 8.861,880 4.731,881 3.178,882 1.364,883 0.966,884 9.349,885 11.917,886 4.007,887 4.551,888 5.116,889 5.727,890 6.287,891 6.742,892 7.272,893 7.752,894 8.122,895 8.554,896 0.909,897 64,898 14.889,900 6.356,901 7.85,902 28.34,904 23.291,905 2.35,906 94,910 388.446,911 123.78,912 94.281,914 72.29,915 14.96,917 123.78,918 460.736,919 109.241,920 17.65,921 72.398,922 37.905,923 125.01,924 35.791,925 28.326,926 376.675,928 388.446,929 218.061,930 87.25,933 288.023,934 179.001,935 11,937 102.588,938 62.911,939 50.234,941 403.406,942 166.57,943 123.78,946 388.446,947 59.177,948 72.628,949 36.022,950 137.484,951 388.446,952 181.531,953 123.78,955 0.574,956 0.327,957 0.18,958 0.1,959 28,960 13,961 0.089,962 7,963 1,964 1.074,965 4.92,966 404.332,967 0.074,968 27,969 198.877,974 28.526,975 13.109,976 6.846,977 1.609,978 179.754,979 9.028,980 14.627,984 2.704,985 1.959,986 36.022,987 693.757,988 54,993 24.256,997 -0.749,999 76.007,1000 85.977,1001 0.272,1002 0.615,1003 0.81,1004 0.851,1005 0.851,1006 0.851,1007 5.263,1008 2.068,1009 6.184,1010 5.521,1011 4.812,1012 5.239,1013 2.857,1014 6.999,1015 4.698,1016 6.438,1017 1.763,1018 7.741,1019 5.339,1020 4.369,1021 5.056,1022 2.2,1023 7.908,1024 4.217,1025 7.734,1026 1.514,1027 9.4,1028 4.835,1029 6.402,1030 7.385,1031 3.824,1032 11.03,1033 6.179,1034 9.066,1035 1.358,1036 11.12,1037 4.28,1038 6.792,1039 8.092,1040 3.876,1041 12.8,1042 6.529,1043 10.437,1044 1.348,1045 12.881,1046 3.417,1047 8.283,1048 9.917,1049 5.122,1050 15.442,1051 7.958,1052 11.833,1053 1.178,1054 14.671,1055 2.919,1056 9.064,1057 11.046,1058 5.498,1059 17.575,1060 8.693,1061 13.252,1062 1.031,1063 16.482,1064 2.716,1065 10.337,1066 12.68,1067 6.553,1068 20.062,1069 9.91,1070 3.289,1071 1,1072 18.309,1073 2.492,1074 11.309,1075 14.017,1076 7.101,1077 22.357,1078 10.833,1079 2.895,1080 11.617,1081 20.15,1082 2.275,1083 12.497,1084 15.577,1085 8.048,1086 24.799,1087 11.968,1088 2.79,1089 9.602,1090 22.001,1091 4.638,1092 13.563,1093 17.015,1094 8.696,1095 27.17,1096 12.983,1097 2.727,1098 8.931,1099 23.86,1100 3.796,1101 14.723,1102 18.55,1103 9.58,1104 29.602,1105 14.092,1106 2.534,1107 8.62,1108 25.727,1109 3.37,1110 15.837,1111 20.035,1112 10.287,1113 32.009,1114 15.154,1115 2.296,1116 7.354,1117 27.601,1118 3.164,1119 16.992,1120 21.564,1121 11.134,1122 34.444,1123 16.258,1124 2.104,1125 7.101,1126 29.481,1127 3.117,1128 18.132,1129 23.073,1130 11.875,1131 36.871,1132 17.345,1133 25064,1134 42783,1135 29.531,1136 47.461,1137 66.018,1138 68.756,1139 67.724,1140 65.604,1141 65.658,1142 80.005,1143 13.112,1144 187.482,1145 61.928,1146 5.693,1147 5.784,1148 6.768,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 20.589,1156 1.5,1157 1.563,1158 1.539,1159 1.491,1160 1.492,1161 1.818,1162 0.298,1163 4.261,1164 1.407,1165 4.141,1166 4.192,1167 4.117,1168 3.983,1169 8.196,1170 4.008,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.434,1176 3.811,1177 3.825,1178 3.877,1179 3.737,1180 3.647,1181 7.43,1182 3.657,1183 3.728,1184 3.784,1185 3.618,1186 3.496,1187 5.135,1188 3.515,1189 3.631,1190 3.698,1191 3.537,1192 3.428,1193 4.752,1194 3.424,1195 3.607,1196 3.667,1197 3.459,1198 3.373,1199 4.624,1200 3.398,1201 3.335,1202 3.398,1203 3.258,1204 3.092,1205 4.524,1206 3.126,1207 3.246,1208 3.292,1209 3.156,1210 2.97,1211 4.475,1212 3.013,1213 0.107,1214 0.086,1215 0.157,1216 0.096,1217 0.075,1218 4.693,1219 0.105,1220 3.784,1221 0.05,1222 6.903,1223 0.264,1224 4.237,1225 0.071,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.05,1234 2.103,1235 1.409,1236 2.085,1237 1.848,1238 1.798,1239 2.013,1240 2.025,1241 1.219,1242 2.022,1243 1.777,1244 1.729,1245 1.933,1246 1.966,1247 1.106,1248 1.958,1249 1.609,1250 1.553,1251 1.886,1252 1.849,1253 1.053,1254 1.849,1255 1.583,1256 1.529,1257 1.782,1258 1.824,1259 0.995,1260 1.818,1261 1.533,1262 1.462,1263 1.715,1264 1.762,1265 0.881,1266 1.755,1267 1.288,1268 1.216,1269 1.513,1270 1.599,1271 0.825,1272 1.554,1273 1.169,1274 1.12,1275 1.513,1276 1.466,1277 0.825,1278 1.429,1279 4.489,1281 5.808,1282 2.398,1283 7.321,1284 4.727,1285 8.924,1286 6.862,1287 10.58,1289 3.694,1291 12.332,1295 4.624,1296 5.126,1297 10.929,1299 -0.076,1300 3.938,1305 45.789,1306 127.255,1307 287.336,1308 378.432,1309 397.652,1310 397.652,1311 397.652,1312 84.367,1313 8.739,1314 126.74,1315 126.74,1316 29,1317 12.981,1318 4.248,1319 3.459,1320 63.744,1321 201,1322 272,1323 0.15,1324 277.988,1325 486.63,1326 670.05,1327 80453,1328 1.3,1329 28.062,1330 0.702,1331 0.57,1332 27.355,1333 22.807,1334 19.423,1335 0.441,1336 0.311,1337 13.379,1338 18.259,1339 13.146,1340 10.779,1341 18.923,1342 13.674,1343 17.408,1344 0.285,1345 0.165,1346 17.054,1347 10.095,1348 14.303,1349 0.177,1350 0.086,1351 14.033,1352 6.93,1353 12.269,1354 0.113,1355 0.045,1356 12.21,1357 4.931,1358 9.98,1359 0.07,1360 0.024,1361 9.666,1362 3.486,1363 0.237,1364 124.39,1365 0.184,1366 36.026,1367 0.407,1368 210,1369 719.59,1370 242.025,1371 645.726,1372 871.1,1373 608,1374 247,1375 627.317,1376 278.211,1377 618.645,1378 915.56,1379 583,1380 5.918}
{0 CHEMBL1095281,1 1.565,2 10.938,3 2.872,4 8.25,5 121.456,6 7.652,7 0.611,8 4.143,9 4.263,10 3.75,11 3.664,12 5.244,13 3.661,14 4.683,15 4.862,16 4.116,17 4.041,18 5.747,19 4.03,20 4.884,21 5.081,22 4.187,23 4.179,24 5.945,25 4.146,26 4.934,27 5.146,28 4.167,29 4.219,30 6,31 4.162,32 4.972,33 5.201,34 4.151,35 4.242,36 5.968,37 4.172,38 4.936,39 5.157,40 4.128,41 4.199,42 5.917,43 4.138,44 4.868,45 5.081,46 4.073,47 4.147,48 5.872,49 4.088,50 4.844,51 5.051,52 3.974,53 4.161,54 5.865,55 4.063,56 0.042,57 0.883,58 10.851,59 4.732,60 7.046,61 6.185,62 0.342,63 1.419,64 21.743,65 7.475,66 23.874,67 10.094,68 0.412,69 1.679,70 27.637,71 9.051,72 37.752,73 12.471,74 0.426,75 1.78,76 29.101,77 9.878,78 46.273,79 13.801,80 0.348,81 1.768,82 31.258,83 10.943,84 44.907,85 15.632,86 0.37,87 1.744,88 29.657,89 9.883,90 36.506,91 13.998,92 0.463,93 1.631,94 27.4,95 8.917,96 33.888,97 12.67,98 0.331,99 1.558,100 26.141,101 10.367,102 42.428,103 14.323,104 12,105 51,106 0.254,107 0.585,108 0.731,109 0.79,110 0.81,111 0.81,112 3.503,113 0.884,114 -5.3,115 -5.19,116 -4.85,119 42.9,120 1,124 1,125 4,142 9,143 2,144 2,145 1,147 1,149 1,158 1,161 1,166 1,172 8,174 4,175 13,183 8,186 2,187 10,195 4,198 5,199 14,207 5,211 1,212 11,220 6,223 2,224 12,232 6,236 3,237 7,245 6,249 4,250 7,258 9,262 1,263 4,271 6,275 1774,276 21.982,277 21.982,278 21.982,279 21.982,280 21.982,281 19.378,282 24.245,283 12.968,284 22.512,285 17.776,286 17.776,287 17.776,288 17.776,289 17.776,290 13.786,291 29.649,292 6.153,293 18.64,294 4.243,295 2.197,296 1.3,297 0.933,298 0.813,299 0.813,300 4.213,304 1,305 1,306 769,307 3.24,310 72.104,311 364.545,314 128.817,318 1.574,319 24.857,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 69,331 350,332 4.706,333 3.688,334 6.903,335 4.237,336 3.288,337 4.661,338 1.94,339 11.616,340 3.12,341 4.248,342 3.378,343 6.329,344 3.9,345 2.938,346 3.846,347 0.86,348 9.589,349 2.827,350 4.111,351 3.026,352 6.29,353 3.764,354 2.822,355 3.627,356 0.8,357 9.253,358 2.663,359 3.95,360 2.839,361 6.086,362 3.638,363 2.678,364 3.313,365 0.555,366 8.808,367 2.567,368 3.65,369 2.603,370 5.573,371 3.283,372 2.323,373 3.03,375 7.147,376 2.218,377 3.418,378 2.452,379 4.907,380 2.982,381 1.98,382 2.691,384 5.313,385 1.975,386 3.139,387 2.192,388 4.792,389 2.785,390 1.841,391 2.295,393 4.963,394 1.737,395 2.965,396 1.737,397 4.428,398 2.458,399 1.514,400 2.154,402 4.207,403 1.424,404 2.854,405 1.64,406 4.161,407 2.439,408 1.478,409 1.961,411 3.57,412 1.409,413 2.543,414 1.393,415 3.766,416 2.102,417 1.204,418 1.561,420 2.914,421 1.072,422 2.5,423 1.256,424 3.5,425 2.006,426 1.042,427 1.5,428 2.568,429 1.001,430 2.5,431 1.2,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.404,439 1.009,440 3.413,441 2,442 1,443 1.387,445 2.136,446 1,447 2.041,448 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 1.678,460 0.712,461 0.906,463 1.847,464 0.681,465 15.067,466 0.471,467 0.73,468 0.023,469 44.5,470 1.391,471 22.5,472 0.703,473 22,474 0.688,475 25.679,476 0.802,477 33.533,478 0.599,479 35.423,480 1.107,481 8.934,482 0.279,483 6.68,484 0.209,485 0.088,487 0.345,493 0.752,494 1.447,495 0.726,496 1.157,497 0.606,498 0.973,499 1.109,500 1.088,501 0.845,502 0.865,503 0.695,504 0.82,505 1.245,506 1.161,507 0.978,508 0.914,509 1.069,510 0.904,511 0.966,512 1.03,513 1.029,514 0.984,515 1.094,516 1.002,517 0.823,518 1.058,519 0.882,520 0.943,521 0.898,522 0.918,523 1.003,524 1.062,525 1.011,526 0.973,527 0.856,528 0.976,529 0.996,530 1.005,531 1.083,532 0.948,533 0.628,534 0.996,535 0.637,536 1.023,537 1.092,538 1.196,539 0.594,540 1.21,541 5,542 0.28,543 4,544 1.847,545 1.454,546 1.386,547 0.928,548 0.344,549 0.219,550 0.294,551 13625,552 35266,553 2.154,554 42.9,556 20,558 1,560 3,564 1.751,565 2.043,566 3.409,567 -0.743,569 1,573 87.624,574 1.565,575 3.61,576 4.507,577 4.874,578 4.995,579 4.995,580 2.88,581 4.563,582 4.966,583 3.596,584 1783.47,585 8.727,586 25334.7,588 1,591 325.212,592 1.317,593 4.943,594 0.139,595 0.01,596 0.078,597 0.034,598 0.028,599 0.027,600 0.019,601 0.007,602 0.005,603 0.008,604 0.355,605 0.17,606 0.88,607 0.789,608 165.68,609 0.039,610 -0.274,611 0.086,612 -0.14,613 -0.029,614 -0.044,615 -0.003,616 0.027,617 0.08,618 0.087,619 0.026,620 0.09,621 -0.132,622 -0.084,623 -0.028,624 0.034,625 -0.044,626 0.018,627 -0.046,628 0.054,629 -0.089,630 -0.036,631 -0.079,632 -0.066,633 -0.013,634 -0.047,635 0.073,636 0.043,637 -0.032,638 0.069,639 -0.101,640 -0.004,641 -0.059,642 -0.02,643 -0.087,644 -0.027,645 -0.045,646 0.079,647 -0.138,648 -0.005,649 -0.035,650 -0.065,651 0.083,653 -0.181,654 -0.181,655 0.056,656 -0.216,657 1.684,658 4.684,659 0.844,660 33.867,661 1.004,662 1.128,663 4.071,664 16.576,665 0.675,666 3.611,667 3.951,668 4.277,669 4.564,670 4.844,671 5.017,672 5.273,673 5.451,674 5.598,675 5.775,676 6.671,677 0.648,678 428.54,679 3.611,680 5.165,681 6.038,682 6.929,683 7.822,684 8.724,685 9.627,686 10.536,687 11.446,688 12.359,689 10.7,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 56,733 23,734 2,735 36,737 60,738 24,739 17,740 3,741 9,746 5,747 6,752 1,761 18,762 6,766 1,771 1,775 1,778 1,781 24,782 7,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,827 1,839 1,840 4,844 2,848 32,854 4,856 1,859 2,870 3.6,873 1,874 1,877 15.667,878 10.867,879 6.972,880 3.352,881 3.934,882 1.48,883 1.011,884 5.603,885 12.129,886 3.892,887 4.514,888 5.161,889 5.811,890 6.419,891 6.872,892 7.442,893 7.945,894 8.364,895 8.841,896 1,897 54,898 11.805,900 5.022,901 7.651,902 22.714,904 18.679,905 2.151,906 68.833,909 1,910 282.506,911 147.299,912 58.259,914 36.145,917 147.299,918 318.651,919 58.259,920 17.222,921 16.52,922 85.286,923 104.57,924 27.548,925 2.328,926 270.735,928 282.506,929 205.559,930 36.145,933 284.834,934 25.145,935 11,937 37.885,938 115.112,939 50.234,941 282.506,942 94.404,943 147.299,946 282.506,947 35.744,948 119.58,950 86.379,951 282.506,952 94.404,953 147.299,955 0.583,956 0.348,957 0.187,958 0.103,959 26,960 11,961 0.067,962 4,963 1,964 1.074,965 4.245,966 311.67,967 0.074,968 27,969 148,974 20.62,975 8.695,976 4.007,977 1.667,978 92.628,979 19.515,980 14.459,984 4.126,985 1.85,987 524.21,988 48,993 11.684,997 -0.017,999 56.218,1000 63.145,1001 0.269,1002 0.622,1003 0.776,1004 0.839,1005 0.86,1006 0.86,1007 5.133,1008 1.514,1009 6.023,1010 4.963,1011 4.635,1012 5.201,1013 2.315,1014 6.866,1015 4.544,1016 6.341,1017 1.478,1018 7.6,1019 4.207,1020 4.205,1021 4.987,1022 1.738,1023 7.832,1024 4.068,1025 7.653,1026 1.204,1027 9.282,1028 3.57,1029 6.252,1030 7.435,1031 3.044,1032 10.972,1033 6.066,1034 9.005,1035 1.042,1036 11.027,1037 2.914,1038 6.686,1039 8.11,1040 3.144,1041 12.786,1042 6.447,1043 10.393,1044 1,1045 12.812,1046 2.568,1047 8.179,1048 10.007,1049 4.149,1050 15.436,1051 7.895,1052 11.808,1053 1,1054 14.623,1055 2.275,1056 8.999,1057 11.109,1058 4.541,1059 17.588,1060 8.658,1061 13.243,1062 1,1063 16.454,1064 2.136,1065 10.275,1066 12.781,1067 5.385,1068 20.079,1069 9.889,1070 3.288,1071 0.712,1072 18.298,1073 2.136,1074 11.274,1075 14.098,1076 5.912,1077 22.38,1078 10.831,1079 2.938,1080 11.616,1081 20.152,1082 1.847,1083 12.467,1084 15.677,1085 6.67,1086 24.821,1087 11.977,1088 2.822,1089 9.589,1090 22.015,1091 4.661,1092 13.55,1093 17.103,1094 7.263,1095 27.192,1096 13.003,1097 2.678,1098 9.253,1099 23.884,1100 3.846,1101 14.714,1102 18.646,1103 7.976,1104 29.622,1105 14.119,1106 2.323,1107 8.808,1108 25.759,1109 3.627,1110 15.838,1111 20.127,1112 8.602,1113 32.028,1114 15.187,1115 1.98,1116 7.147,1117 27.639,1118 3.313,1119 16.996,1120 21.659,1121 9.292,1122 34.46,1123 16.295,1124 1.841,1125 5.313,1126 29.523,1127 3.03,1128 18.141,1129 23.166,1130 9.936,1131 36.884,1132 17.386,1133 12812,1134 20749,1135 24.561,1136 37.796,1137 55.283,1138 55.666,1139 55.834,1140 54.863,1141 54.831,1142 72.38,1143 8.312,1144 159.583,1145 52.402,1146 5.706,1147 5.688,1148 6.705,1149 5.34,1150 5.288,1151 7.661,1152 3.348,1153 19.163,1154 5.12,1155 13.409,1156 1.536,1157 1.546,1158 1.551,1159 1.524,1160 1.523,1161 2.011,1162 0.231,1163 4.433,1164 1.456,1165 4.143,1166 4.19,1167 4.124,1168 3.996,1169 7.428,1170 4.02,1171 3.919,1172 3.953,1173 3.866,1174 3.837,1175 5.151,1176 3.839,1177 3.826,1178 3.867,1179 3.757,1180 3.728,1181 4.785,1182 3.731,1183 3.708,1184 3.761,1185 3.597,1186 3.49,1187 4.683,1188 3.508,1189 3.563,1190 3.611,1191 3.48,1192 3.352,1193 4.617,1194 3.375,1195 3.224,1196 3.294,1197 3.167,1198 3.012,1199 4.439,1200 3.037,1201 3.111,1202 3.206,1203 2.924,1204 2.941,1205 4.049,1206 2.91,1207 3.098,1208 3.2,1209 2.866,1210 2.855,1211 3.967,1212 2.856,1213 0.131,1214 0.102,1215 0.192,1216 0.118,1217 0.091,1218 4.706,1219 0.129,1220 3.688,1221 0.054,1222 6.903,1223 0.323,1224 4.237,1225 0.087,1226 3.288,1227 4.661,1228 1.94,1229 11.616,1230 3.12,1231 1.964,1232 1.933,1233 2.043,1234 2.098,1235 1.223,1236 2.079,1237 1.893,1238 1.862,1239 2.008,1240 1.999,1241 1.127,1242 2.002,1243 1.789,1244 1.748,1245 1.935,1246 1.969,1247 1.083,1248 1.963,1249 1.593,1250 1.543,1251 1.761,1252 1.811,1253 0.875,1254 1.796,1255 1.481,1256 1.43,1257 1.691,1258 1.689,1259 0.825,1260 1.693,1261 1.25,1262 1.176,1263 1.542,1264 1.538,1265 0.767,1266 1.494,1267 1.153,1268 1.064,1269 1.513,1270 1.418,1271 0.595,1272 1.464,1273 1.144,1274 1.049,1275 1.356,1276 1.376,1277 0.352,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.727,1285 8.791,1286 6.862,1287 10.466,1289 3.305,1295 2.869,1297 5.539,1300 3.837,1305 36.299,1306 87.624,1307 202.16,1308 252.418,1309 272.947,1310 279.702,1311 279.702,1312 44.588,1313 8.195,1314 76.38,1315 76.38,1316 29,1317 12.873,1318 4.585,1319 3.7,1320 45.405,1321 126,1322 136,1323 0.176,1324 220.577,1325 372.9,1326 529.967,1327 39358,1329 22.079,1330 0.69,1331 0.566,1332 22.079,1333 18.102,1334 15.614,1335 0.434,1336 0.295,1337 10.424,1338 14.917,1339 10.158,1340 8.393,1341 15.614,1342 10.603,1343 14.038,1344 0.275,1345 0.151,1346 14.038,1347 7.724,1348 12.422,1349 0.175,1350 0.08,1351 12.422,1352 5.705,1353 10.305,1354 0.108,1355 0.04,1356 10.305,1357 3.813,1358 8.578,1359 0.068,1360 0.021,1361 8.578,1362 2.591,1363 0.27,1364 98.268,1365 0.202,1366 29.467,1367 0.499,1368 174,1369 503.342,1370 192.664,1371 484.722,1372 679.23,1373 458,1374 209,1375 517.411,1376 229.555,1377 520.459,1378 768.76,1379 491,1380 6.101}
{0 CHEMBL1095618,1 1.58,2 9.25,3 2.188,4 4.787,5 106.334,6 7.946,7 0.688,8 3.994,9 4.119,10 3.633,11 3.508,12 5.124,13 3.519,14 4.513,15 4.681,16 3.993,17 3.889,18 5.606,19 3.887,20 4.714,21 4.922,22 4.034,23 3.99,24 5.753,25 3.963,26 4.718,27 4.949,28 3.998,29 3.981,30 5.752,31 3.939,32 4.679,33 4.888,34 4.014,35 4.011,36 5.675,37 3.972,38 4.718,39 4.918,40 4.044,41 4.026,42 5.771,43 3.994,44 4.738,45 4.949,46 3.954,47 3.999,48 5.783,49 3.948,50 4.687,51 4.905,52 3.774,53 3.976,54 5.648,55 3.873,56 0.071,57 0.789,58 8.667,59 3.664,60 8.699,61 4.698,62 0.296,63 1.244,64 16.944,65 6.013,66 21.628,67 7.795,68 0.366,69 1.452,70 22.582,71 7.198,72 29.18,73 10.051,74 0.44,75 1.472,76 23.175,77 7.299,78 35.472,79 10.415,80 0.266,81 1.41,82 21.446,83 7.505,84 23.385,85 10.617,86 0.352,87 1.49,88 21.644,89 7.166,90 28.291,91 9.82,92 0.502,93 1.446,94 23.065,95 7.169,96 35.254,97 9.925,98 0.236,99 1.327,100 21.904,101 8.741,102 26.157,103 12.033,104 2,105 45,106 0.265,107 0.622,108 0.753,109 0.816,110 0.826,111 0.826,112 3.376,113 0.858,114 -4.91,115 -4.82,116 -4.52,119 42.6,125 4,142 7,143 2,144 1,145 2,147 2,149 1,161 1,163 1,164 1,165 1,166 1,172 6,174 3,175 11,177 1,178 1,180 1,183 5,185 1,186 2,187 7,192 1,195 2,197 1,198 7,199 9,204 1,207 3,209 1,211 1,212 7,220 3,223 2,224 9,226 2,227 2,232 4,236 4,237 6,245 4,250 5,252 2,253 2,255 1,258 5,260 1,262 1,263 5,265 1,266 1,271 3,275 1158,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.069,282 19.942,283 11.691,284 20.112,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.101,291 22.362,292 5.608,293 16.751,294 3.974,295 1.85,296 1.072,297 0.697,298 0.638,299 0.638,300 4.092,303 1,304 1,305 1,306 579,307 2.121,310 57.042,311 299.285,314 103.105,318 1.214,319 20.864,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60.5,331 259,332 4.706,333 3.378,334 6.903,335 4.236,336 3.287,337 4.661,338 0.86,339 11.616,340 3.118,341 4.199,342 3.026,343 6.327,344 3.799,345 2.846,346 3.814,347 0.8,348 9.586,349 2.725,350 4.053,351 2.82,352 6.104,353 3.697,354 2.745,355 3.601,357 8.918,358 2.608,359 3.661,360 2.511,361 5.573,362 3.298,363 2.349,364 3.09,366 7.15,367 2.223,368 3.641,369 2.341,370 5.045,371 3.2,372 2.251,373 3.017,375 6.091,376 2.129,377 3.14,378 2.191,379 4.793,380 2.786,381 1.844,382 2.296,384 4.963,385 1.738,386 2.967,387 1.73,388 4.4,389 2.456,390 1.516,391 2.182,393 4.229,394 1.418,395 2.853,396 1.512,397 4.161,398 2.431,399 1.484,400 1.961,402 3.569,403 1.401,404 2.538,405 1.385,406 3.756,407 2.097,408 1.202,409 1.556,411 2.908,412 1.068,413 2.5,414 1.256,415 3.5,416 2,417 1.036,418 1.5,420 2.565,421 1,422 2.5,423 1.044,424 3.414,425 1.998,426 1,427 1.5,428 2.275,429 0.994,430 2.402,431 1,432 3.406,433 1.958,434 1,435 1.386,436 2.136,437 0.956,438 2.017,439 1,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 0.728,449 3.247,450 1.581,451 0.651,452 0.874,454 1.796,455 0.604,456 1.2,457 -0.026,458 2.763,459 0.8,460 -0.137,461 -0.174,463 -0.316,464 -0.128,465 13.133,466 0.469,467 0.551,468 0.02,469 40.75,470 1.455,471 21,472 0.75,473 19.75,474 0.705,475 19.874,476 0.71,477 28.867,478 0.614,479 29.891,480 1.068,481 8.106,482 0.289,483 5.687,484 0.203,485 0.03,487 0.327,493 0.906,494 1.363,495 0.714,496 1.069,497 0.98,498 0.893,499 1.242,500 1.124,501 0.881,502 0.933,503 0.88,504 0.874,505 1.172,506 1.216,507 0.941,508 0.949,509 0.891,510 0.916,511 0.857,512 0.867,513 0.933,514 0.841,515 0.968,516 0.875,517 0.823,518 1.139,519 0.833,520 0.951,521 0.802,522 0.894,523 1.085,524 1.065,525 1.054,526 1.017,527 0.866,528 1.015,529 1.203,530 0.953,531 1.197,532 0.967,533 1.116,534 1.049,535 0.723,536 1.053,537 1.112,538 1.278,539 0.876,540 1.266,541 4,542 0.091,543 3.111,544 1.347,545 1.214,546 1.205,547 0.767,548 0.281,549 0.194,550 0.172,551 9421,552 24403,553 2.223,554 40.4,556 15,558 2,559 2,564 1.719,565 2.154,566 3.187,567 0.282,568 1,569 1,573 74.265,574 1.58,575 3.705,576 4.482,577 4.858,578 4.916,579 4.916,580 2.494,581 4.307,582 4.775,583 3.329,584 1258.48,585 8.357,586 16070,588 1,590 1,591 261.066,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.029,598 0.028,599 0.026,600 0.017,601 0.007,602 0.006,603 0.007,604 0.32,605 0.33,606 0.88,607 0.343,608 137.209,609 -0.018,610 -0.196,611 0.073,612 -0.086,613 -0.105,614 -0.007,615 -0.061,616 -0.025,617 0.009,618 0.018,619 0.013,620 0.015,621 -0.097,622 -0.175,623 0.007,624 -0.004,625 0.027,626 0.01,627 0.059,628 0.196,629 0.023,630 0.084,631 -0.013,632 0.053,633 -0.007,634 -0.105,635 0.088,636 0.032,637 -0.012,638 0.072,639 -0.098,640 0.026,641 -0.142,642 -0.086,643 -0.015,644 -0.112,645 -0.091,646 0.109,647 -0.252,648 -0.039,649 -0.155,650 -0.142,651 0.005,652 -0.088,653 -0.186,654 -0.244,655 -0.074,656 -0.246,657 1.201,658 2.006,659 0.964,660 24.694,661 1.007,662 1.132,663 3.682,664 13.558,665 0.682,666 3.497,667 3.829,668 4.159,669 4.477,670 4.779,671 4.934,672 5.165,673 5.361,674 5.505,675 5.613,676 5.726,677 0.66,678 373.46,679 3.497,680 5.043,681 5.916,682 6.808,683 7.703,684 8.607,685 9.513,686 10.425,687 11.338,688 12.255,689 14.9,693 1,695 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,722 1,726 1,731 47,733 22,734 1,735 32,737 51,738 20,739 16,740 1,741 5,746 5,747 6,761 16,762 4,777 1,778 1,781 19,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 4,856 1,859 1,870 2.1,874 1,877 13,878 8.45,879 6.083,880 2.766,881 3.798,882 1.48,883 1.045,884 4.394,885 11.709,886 3.784,887 4.422,888 5.09,889 5.756,890 6.374,891 6.814,892 7.368,893 7.884,894 8.302,895 8.735,896 0.714,897 46,898 10.295,900 4.418,901 7.613,902 19.81,904 16.439,905 2.113,906 59.167,910 200.109,911 115.039,912 104.818,914 11,917 115.039,918 211.109,919 104.818,921 13.396,922 99.231,923 103.277,924 33.839,925 4.656,926 176.567,928 200.109,929 219.857,930 11,933 202.437,935 11,937 34.983,938 115.526,939 67.02,941 200.109,942 115.818,943 115.039,946 200.109,947 30.611,948 89.329,950 110.917,951 200.109,952 115.818,953 115.039,955 0.578,956 0.342,957 0.193,958 0.113,959 24,960 9,961 0.059,962 3,963 1,964 1.074,965 3.964,966 263.83,967 0.074,968 27,969 126.606,974 17.11,975 7.19,976 3.229,977 1.674,978 114.041,979 17.133,980 18.452,984 3.686,985 1.842,986 32.897,987 430.965,988 43,999 47.342,1000 53.189,1001 0.284,1002 0.667,1003 0.807,1004 0.875,1005 0.885,1006 0.885,1007 5.014,1008 1.484,1009 5.889,1010 4.229,1011 4.511,1012 5.109,1013 1.235,1014 6.723,1015 4.405,1016 6.219,1017 1.202,1018 7.452,1019 3.569,1020 4.007,1021 4.856,1022 0.325,1023 7.662,1024 3.852,1025 7.528,1026 1.036,1027 9.121,1028 2.908,1029 6.111,1030 7.364,1031 0.938,1032 10.818,1033 5.905,1034 8.879,1035 1,1036 10.855,1037 2.565,1038 6.494,1039 8.024,1040 0.268,1041 12.638,1042 6.236,1043 10.267,1044 1,1045 12.633,1046 2.275,1047 8.023,1048 9.952,1049 0.732,1050 15.301,1051 7.717,1052 11.683,1053 1,1054 14.441,1055 2.136,1056 8.817,1057 11.053,1058 0.188,1059 17.471,1060 8.458,1061 13.121,1062 0.651,1063 16.27,1064 2.136,1065 10.114,1066 12.74,1067 0.57,1068 19.975,1069 9.707,1070 3.287,1071 -0.137,1072 18.115,1073 1.796,1074 11.105,1075 14.06,1076 0.125,1077 22.293,1078 10.644,1079 2.846,1080 11.616,1081 19.973,1082 -0.316,1083 12.312,1084 15.647,1085 0.438,1086 24.747,1087 11.801,1088 2.745,1089 9.586,1090 21.84,1091 4.661,1092 13.397,1093 17.077,1094 0.082,1095 27.131,1096 12.831,1097 2.349,1098 8.918,1099 23.714,1100 3.814,1101 14.572,1102 18.625,1103 0.334,1104 29.571,1105 13.956,1106 2.251,1107 7.15,1108 25.596,1109 3.601,1110 15.702,1111 20.109,1112 0.054,1113 31.986,1114 15.032,1115 1.844,1116 6.091,1117 27.483,1118 3.09,1119 16.871,1120 21.644,1121 0.252,1122 34.426,1123 16.148,1124 1.516,1125 4.963,1126 29.374,1127 3.017,1128 18.024,1129 23.154,1130 0.035,1131 36.857,1132 17.247,1133 8708,1134 14160,1135 22.364,1136 32.063,1137 48.73,1138 48.586,1139 49.001,1140 48.471,1141 48.424,1142 64.873,1143 3.32,1144 139.875,1145 45.852,1146 5.706,1147 5.378,1148 6.705,1149 5.34,1150 5.287,1151 7.661,1152 1.72,1153 19.163,1154 5.118,1155 7.083,1156 1.523,1157 1.518,1158 1.531,1159 1.515,1160 1.513,1161 2.027,1162 0.104,1163 4.371,1164 1.433,1165 4.139,1166 4.187,1167 4.121,1168 3.985,1169 5.203,1170 4.012,1171 3.88,1172 3.921,1173 3.828,1174 3.788,1175 5.112,1176 3.791,1177 3.807,1178 3.853,1179 3.739,1180 3.692,1181 4.754,1182 3.7,1183 3.703,1184 3.755,1185 3.594,1186 3.488,1187 4.617,1188 3.506,1189 3.257,1190 3.332,1191 3.213,1192 3.032,1193 4.589,1194 3.066,1195 3.111,1196 3.206,1197 2.936,1198 2.941,1199 4.382,1200 2.91,1201 3.019,1202 3.094,1203 2.866,1204 2.812,1205 3.993,1206 2.831,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.805,1212 2.715,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.706,1219 0.146,1220 3.378,1221 0.027,1222 6.903,1223 0.363,1224 4.236,1225 0.097,1226 3.287,1227 4.661,1228 0.86,1229 11.616,1230 3.118,1231 1.942,1232 1.907,1233 2.027,1234 2.093,1235 1.221,1236 2.069,1237 1.87,1238 1.837,1239 1.974,1240 1.99,1241 1.091,1242 1.99,1243 1.755,1244 1.711,1245 1.909,1246 1.944,1247 0.994,1248 1.936,1249 1.576,1250 1.529,1251 1.706,1252 1.771,1253 0.833,1254 1.755,1255 1.251,1256 1.177,1257 1.513,1258 1.538,1259 0.825,1260 1.495,1261 1.153,1262 1.064,1263 1.363,1264 1.376,1265 0.351,1266 1.429,1267 1.048,1268 0.987,1269 1.252,1270 1.311,1271 0.231,1272 1.305,1273 0.886,1274 0.821,1275 1.181,1276 1.098,1277 0.226,1278 1.107,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.666,1286 6.862,1287 10.345,1293 5.738,1295 2.915,1297 5.506,1300 2.221,1305 31.025,1306 74.265,1307 174.13,1308 210.659,1309 228.311,1310 231.066,1311 231.066,1312 32.451,1313 7.911,1314 94.98,1315 94.98,1316 29,1317 12.767,1318 4.524,1319 3.585,1320 37.26,1321 96,1322 104,1323 0.193,1324 187.933,1325 308.55,1326 450.316,1327 27442,1329 18.924,1330 0.676,1331 0.543,1332 18.924,1333 15.193,1334 13.793,1335 0.431,1336 0.286,1337 8.992,1338 13.172,1339 8.862,1340 7.281,1341 13.793,1342 9.152,1343 12.28,1344 0.273,1345 0.146,1346 12.28,1347 6.571,1348 10.871,1349 0.173,1350 0.076,1351 10.871,1352 4.764,1353 9.376,1354 0.108,1355 0.038,1356 9.376,1357 3.334,1358 8.07,1359 0.068,1360 0.02,1361 8.07,1362 2.321,1363 0.292,1364 86.883,1365 0.211,1366 26.12,1367 0.568,1368 154,1369 438.918,1370 170.839,1371 426.697,1372 604.09,1373 404,1374 185,1375 466.915,1376 203.894,1377 469.812,1378 695.66,1379 444,1380 7.229}
{0 CHEMBL1095623,1 1.502,2 14.846,3 2.907,4 8.448,5 151.79,6 7.104,7 0.5,8 4.405,9 4.536,10 3.948,11 3.918,12 5.415,13 3.897,14 4.987,15 5.18,16 4.301,17 4.329,18 5.94,19 4.285,20 5.248,21 5.474,22 4.362,23 4.491,24 6.155,25 4.41,26 5.325,27 5.581,28 4.345,29 4.509,30 6.212,31 4.409,32 5.292,33 5.54,34 4.369,35 4.519,36 6.183,37 4.428,38 5.279,39 5.506,40 4.361,41 4.526,42 6.172,43 4.437,44 5.304,45 5.551,46 4.293,47 4.504,48 6.161,49 4.397,50 5.266,51 5.512,52 4.227,53 4.489,54 6.118,55 4.358,56 0.055,57 1.154,58 16.271,59 6.548,60 9.753,61 9.152,62 0.403,63 1.89,64 31.942,65 10.644,66 31.33,67 15.454,68 0.468,69 2.304,70 42.802,71 14.084,72 48.127,73 20.905,74 0.58,75 2.437,76 47.229,77 15.26,78 58.336,79 23.013,80 0.455,81 2.373,82 45.172,83 15.013,84 54.324,85 22.628,86 0.404,87 2.414,88 43.698,89 14.237,90 45.555,91 21.42,92 0.599,93 2.382,94 45.918,95 14.549,96 52.917,97 22.198,98 0.475,99 2.26,100 43.665,101 16.126,102 55.389,103 23.596,104 8,105 61,106 0.231,107 0.564,108 0.746,109 0.806,110 0.82,111 0.82,112 3.693,113 0.942,114 -5.23,115 -5.12,116 -4.79,119 40.5,121 3,124 1,125 7,127 1,142 9,143 4,145 1,147 1,149 1,158 1,161 1,166 1,172 13,174 3,175 13,178 1,180 1,183 15,186 2,187 9,192 1,195 8,198 6,199 12,204 2,207 6,211 2,212 11,217 2,220 6,223 1,224 15,229 1,232 8,236 3,237 8,245 7,249 4,250 11,253 2,258 6,263 12,271 4,275 3465,276 27.179,277 27.179,278 27.179,279 27.179,280 27.179,281 24.539,282 34.26,283 16.212,284 27.796,285 21.728,286 21.728,287 21.728,288 21.728,289 21.728,290 17.63,291 45.319,292 7.717,293 22.671,294 4.708,295 2.538,296 1.352,297 0.966,298 0.875,299 0.875,300 4.413,305 1,306 1279,307 3.391,310 93.346,311 610.729,314 168.331,318 2.304,319 29.406,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 83.5,331 579,332 4.693,333 3.609,334 6.903,335 4.237,336 3.288,337 4.638,338 1.987,339 11.616,340 3.12,341 4.184,342 3.38,343 6.329,344 3.827,345 2.868,346 3.796,347 0.916,348 9.594,349 2.778,350 4,351 3.077,352 6.107,353 3.738,354 2.771,355 3.457,356 0.86,357 8.93,358 2.662,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.367,365 0.8,366 7.742,367 2.549,368 3.815,369 2.829,370 5.517,371 3.515,372 2.524,373 3.16,374 0.324,375 7.324,376 2.492,377 3.526,378 2.558,379 5.464,380 3.317,381 2.352,382 2.689,383 0.172,384 7.105,385 2.25,386 3.453,387 2.457,388 5.044,389 3.069,390 2.112,391 2.605,393 6.052,394 2.039,395 3.256,396 2.354,397 4.784,398 3.021,399 2.036,400 2.345,402 5.327,403 1.966,404 2.966,405 2.121,406 4.743,407 2.654,408 1.734,409 2.165,411 4.819,412 1.593,413 2.933,414 1.582,415 4.412,416 2.445,417 1.488,418 2.042,420 4.248,421 1.419,422 2.816,423 1.552,424 4.083,425 2.415,426 1.427,427 1.906,428 3.225,429 1.405,430 2.529,431 1.487,432 3.76,433 2.152,434 1.251,435 1.54,436 2.992,437 1.12,438 2.5,439 1.256,440 3.587,441 2.044,442 1.097,443 1.5,445 2.881,446 1.033,447 2.5,448 1.125,449 3.425,450 2,451 1,452 1.5,454 2.275,455 1,456 2.387,457 1.098,458 3.414,459 2,460 1,461 1.376,463 2.275,464 1,465 18.467,466 0.474,467 0.756,468 0.019,469 48.5,470 1.244,471 22,472 0.564,473 26.5,474 0.679,475 38.12,476 0.977,477 42.133,478 0.569,479 39.579,480 1.015,481 9.53,482 0.244,483 9.644,484 0.247,485 0.045,487 0.309,493 0.785,494 1.456,495 0.807,496 1.183,497 0.593,498 1.025,499 1.149,500 1.093,501 0.97,502 0.946,503 0.71,504 0.931,505 1.114,506 1.164,507 1.023,508 1.023,509 0.98,510 1.012,511 0.888,512 0.961,513 0.965,514 0.936,515 0.961,516 0.949,517 0.861,518 1.037,519 0.908,520 0.935,521 0.893,522 0.92,523 1.058,524 1.197,525 1.12,526 1.11,527 0.902,528 1.108,529 0.969,530 1.02,531 1.106,532 1.003,533 0.687,534 1.046,535 0.579,536 1.024,537 1.016,538 1.146,539 0.495,540 1.139,541 6.5,542 0.305,543 3.778,544 1.847,545 1.796,546 1.448,547 1.052,548 0.541,549 0.338,550 0.327,551 25955,552 60112,553 2.187,554 47.3,556 27,558 1,559 1,560 2,562 4,564 1.797,565 2.108,566 3.794,567 -0.383,573 111.116,574 1.502,575 3.672,576 4.858,577 5.243,578 5.334,579 5.334,580 3.321,581 4.875,582 5.245,583 3.997,584 2961.87,585 9.277,586 50260.2,591 459.5,592 1.154,593 5.243,594 0.148,595 0.007,596 0.062,597 0.029,598 0.029,599 0.023,600 0.017,601 0.009,602 0.006,603 0.007,604 0.337,605 0.17,606 0.75,607 0.762,608 218.386,609 0.044,610 -0.223,611 0.086,612 -0.095,613 0.025,614 -0.017,615 -0.029,616 0.053,617 -0.004,618 0.045,619 0.021,620 0.025,621 -0.076,622 -0.106,623 -0.046,624 -0.036,625 -0.02,626 -0.041,627 0.022,628 0.072,629 0.018,630 0.026,631 -0.009,632 0.02,633 -0.002,634 -0.005,635 0.064,636 0.05,637 -0.025,638 0.065,639 -0.136,640 -0.106,641 -0.156,642 -0.132,643 -0.136,644 -0.142,645 -0.042,646 0.035,647 -0.128,648 -0.041,649 -0.069,650 -0.082,651 0.139,652 -0.017,653 -0.066,654 -0.127,655 0.12,656 -0.126,657 1.672,658 4.808,659 0.846,660 56.947,661 0.996,662 1.131,663 3.996,664 15.969,665 0.657,666 3.807,667 4.127,668 4.431,669 4.727,670 5.017,671 5.165,672 5.416,673 5.631,674 5.799,675 5.976,676 8.472,677 0.621,678 525.72,679 3.807,680 5.352,681 6.213,682 7.094,683 7.975,684 8.868,685 9.76,686 10.661,687 11.561,688 12.468,689 9.5,692 1,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 74,733 23,734 2,735 44,737 79,738 30,739 17,740 3,741 9,746 6,747 7,755 3,758 4,761 18,762 12,766 1,771 1,775 1,781 35,782 8,783 1,784 9,790 7,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,826 1,836 1,839 1,840 5,844 1,848 39,854 10,855 1,856 1,858 1,859 2,870 2.7,873 1,874 1,877 18.5,878 13.45,879 8.583,880 4.64,881 3.89,882 1.436,883 1.005,884 7.868,885 12.822,886 4.043,887 4.618,888 5.212,889 5.825,890 6.398,891 6.783,892 7.298,893 7.774,894 8.136,895 8.56,896 1,897 63,898 14.471,900 6.174,901 7.543,902 28.404,904 23.915,905 2.043,906 79.667,910 400.217,911 153.252,912 76.27,914 36.145,917 153.252,918 436.362,919 76.27,920 8.396,921 45.328,922 85.286,923 104.57,924 31.53,925 2.328,926 388.446,928 400.217,929 229.522,930 36.145,933 355.461,934 72.229,935 11,937 60.991,938 115.969,939 50.234,941 400.217,942 112.415,943 153.252,946 400.217,947 50.522,948 110.755,949 18.011,950 86.379,951 400.217,952 112.415,953 153.252,955 0.575,956 0.337,957 0.183,958 0.104,959 30,960 12,961 0.089,962 7,963 1,964 1.061,965 4.959,966 400.288,967 0.061,968 33,969 190.131,974 25.939,975 11.829,976 5.837,977 1.876,978 110.638,979 20.585,980 14.973,984 4.839,985 2.129,986 18.011,987 665.885,988 56,993 11.808,997 -0.006,999 73.738,1000 83.72,1001 0.242,1002 0.591,1003 0.782,1004 0.844,1005 0.859,1006 0.859,1007 5.286,1008 2.036,1009 6.18,1010 6.052,1011 4.812,1012 5.306,1013 2.478,1014 6.987,1015 4.732,1016 6.463,1017 1.734,1018 7.728,1019 5.327,1020 4.29,1021 5.027,1022 1.738,1023 7.867,1024 4.175,1025 7.757,1026 1.488,1027 9.377,1028 4.819,1029 6.395,1030 7.474,1031 3.207,1032 10.998,1033 6.235,1034 9.087,1035 1.427,1036 11.088,1037 4.248,1038 6.735,1039 8.098,1040 3.201,1041 12.757,1042 6.531,1043 10.454,1044 1.251,1045 12.842,1046 3.225,1047 8.263,1048 9.996,1049 4.335,1050 15.401,1051 8.018,1052 11.848,1053 1.097,1054 14.625,1055 2.992,1056 9.012,1057 11.066,1058 4.66,1059 17.535,1060 8.716,1061 13.263,1062 1,1063 16.431,1064 2.881,1065 10.305,1066 12.737,1067 5.606,1068 20.026,1069 9.965,1070 3.288,1071 1,1072 18.254,1073 2.275,1074 11.26,1075 14.037,1076 6.092,1077 22.326,1078 10.864,1079 2.868,1080 11.616,1081 20.092,1082 2.275,1083 12.457,1084 15.614,1085 6.928,1086 24.771,1087 12.014,1088 2.771,1089 9.594,1090 21.941,1091 4.638,1092 13.516,1093 17.031,1094 7.501,1095 27.147,1096 13.015,1097 2.649,1098 8.93,1099 23.801,1100 3.796,1101 14.681,1102 18.572,1103 8.274,1104 29.583,1105 14.129,1106 2.524,1107 7.742,1108 25.669,1109 3.457,1110 15.793,1111 20.047,1112 8.894,1113 31.995,1114 15.183,1115 2.352,1116 7.324,1117 27.544,1118 3.367,1119 16.952,1120 21.577,1121 9.631,1122 34.432,1123 16.288,1124 2.112,1125 7.105,1126 29.425,1127 3.16,1128 18.093,1129 23.08,1130 10.279,1131 36.861,1132 17.37,1133 23995,1134 36677,1135 30.512,1136 48.608,1137 65.772,1138 67.138,1139 66.863,1140 65.551,1141 65.581,1142 83.017,1143 10.119,1144 186.865,1145 62.926,1146 5.693,1147 5.609,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 3.497,1153 19.165,1154 5.12,1155 12.876,1156 1.495,1157 1.526,1158 1.52,1159 1.49,1160 1.49,1161 1.887,1162 0.23,1163 4.247,1164 1.43,1165 4.144,1166 4.195,1167 4.118,1168 3.993,1169 7.429,1170 4.015,1171 3.932,1172 3.973,1173 3.857,1174 3.858,1175 5.135,1176 3.852,1177 3.91,1178 3.943,1179 3.848,1180 3.825,1181 4.756,1182 3.829,1183 3.784,1184 3.84,1185 3.676,1186 3.628,1187 4.733,1188 3.629,1189 3.696,1190 3.754,1191 3.58,1192 3.485,1193 4.622,1194 3.501,1195 3.569,1196 3.628,1197 3.484,1198 3.348,1199 4.47,1200 3.372,1201 3.29,1202 3.367,1203 3.21,1204 3.08,1205 4.252,1206 3.092,1207 3.176,1208 3.252,1209 3.037,1210 3.008,1211 4.19,1212 3.008,1213 0.107,1214 0.082,1215 0.157,1216 0.096,1217 0.075,1218 4.693,1219 0.105,1220 3.609,1221 0.045,1222 6.903,1223 0.264,1224 4.237,1225 0.071,1226 3.288,1227 4.638,1228 1.987,1229 11.616,1230 3.12,1231 1.97,1232 1.94,1233 2.083,1234 2.108,1235 1.426,1236 2.097,1237 1.928,1238 1.893,1239 2.052,1240 2.049,1241 1.224,1242 2.052,1243 1.838,1244 1.796,1245 1.992,1246 1.973,1247 1.181,1248 1.976,1249 1.775,1250 1.723,1251 1.939,1252 1.95,1253 1.14,1254 1.958,1255 1.594,1256 1.543,1257 1.754,1258 1.814,1259 0.91,1260 1.799,1261 1.47,1262 1.416,1263 1.693,1264 1.72,1265 0.825,1266 1.714,1267 1.316,1268 1.236,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.173,1274 1.095,1275 1.513,1276 1.387,1277 0.764,1278 1.429,1279 4.489,1281 5.808,1282 2.398,1283 7.328,1284 4.727,1285 8.937,1286 6.862,1287 10.593,1289 1.656,1295 8.408,1296 2.681,1297 5.612,1299 0.296,1300 4.808,1305 45.955,1306 111.116,1307 271.712,1308 359.46,1309 387.99,1310 394.745,1311 394.745,1312 60.012,1313 8.932,1314 88.41,1315 88.41,1316 35,1317 12.987,1318 4.585,1319 3.7,1320 55.017,1321 189,1322 229,1323 0.136,1324 277.532,1325 475.34,1326 668.937,1327 105252,1329 26.606,1330 0.682,1331 0.575,1332 26.606,1333 22.422,1334 19.174,1335 0.436,1336 0.314,1337 13.612,1338 18.401,1339 13.331,1340 10.962,1341 19.174,1342 13.819,1343 16.913,1344 0.277,1345 0.169,1346 16.913,1347 10.336,1348 14.767,1349 0.178,1350 0.093,1351 14.767,1352 7.752,1353 12.434,1354 0.111,1355 0.049,1356 12.434,1357 5.532,1358 10.609,1359 0.071,1360 0.027,1361 10.609,1362 4.058,1363 0.214,1364 120.175,1365 0.181,1366 35.297,1367 0.37,1368 210,1369 553.675,1370 229.719,1371 534.154,1372 745.13,1373 506,1374 249,1375 557.411,1376 270.887,1377 562.532,1378 829.45,1379 531,1380 5.392}
{0 CHEMBL1095625,1 1.474,2 13.114,3 2.917,4 8.509,5 138.464,6 7.116,7 0.55,8 4.301,9 4.434,10 3.85,11 3.819,12 5.308,13 3.799,14 4.876,15 5.065,16 4.211,17 4.235,18 5.813,19 4.193,20 5.146,21 5.377,22 4.264,23 4.391,24 6.018,25 4.307,26 5.219,27 5.486,28 4.224,29 4.397,30 6.049,31 4.291,32 5.161,33 5.41,34 4.249,35 4.405,36 5.998,37 4.311,38 5.166,39 5.395,40 4.276,41 4.418,42 6.056,43 4.332,44 5.194,45 5.436,46 4.203,47 4.403,48 6.057,49 4.302,50 5.173,51 5.419,52 4.092,53 4.4,54 5.965,55 4.26,56 0.07,57 1.051,58 14.618,59 5.73,60 10.343,61 8.071,62 0.319,63 1.725,64 28.263,65 9.467,66 25.129,67 13.715,68 0.408,69 2.122,70 38.426,71 12.462,72 37.758,73 18.809,74 0.535,75 2.22,76 42.579,77 13.471,78 43.216,79 20.677,80 0.382,81 2.121,82 39.316,83 13.204,84 37.364,85 20.01,86 0.401,87 2.191,88 38.893,89 12.591,90 40.797,91 18.981,92 0.574,93 2.161,94 40.929,95 12.704,96 46.749,97 19.368,98 0.354,99 2.07,100 39.519,101 14.831,102 35.851,103 21.604,104 2,105 56,106 0.232,107 0.573,108 0.733,109 0.801,110 0.808,111 0.808,112 3.589,113 0.933,114 -5.31,115 -5.2,116 -4.86,119 40.9,121 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,161 1,163 1,164 1,165 1,166 1,172 10,174 3,175 12,180 2,183 11,185 2,186 2,187 8,192 2,195 5,197 2,198 6,199 10,204 1,207 5,209 1,211 2,212 7,220 6,223 1,224 12,226 2,227 2,232 8,236 3,237 6,245 6,249 2,250 8,252 2,253 2,255 1,258 5,260 1,263 11,265 1,266 1,271 2,275 2453,276 24.447,277 24.447,278 24.447,279 24.447,280 24.447,281 21.909,282 30.168,283 14.588,284 25.03,285 19.817,286 19.817,287 19.817,288 19.817,289 19.817,290 16,291 40.59,292 7.019,293 20.787,294 4.57,295 2.401,296 1.383,297 0.951,298 0.909,299 0.909,300 4.312,305 1,306 1032,307 2.55,310 78.106,311 525.606,314 142.266,318 2.003,319 23.143,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 74.5,331 459,332 4.693,333 3.38,334 6.903,335 4.237,336 3.288,337 4.638,338 0.916,339 11.616,340 3.12,341 4.171,342 3.077,343 6.329,344 3.817,345 2.864,346 3.783,347 0.86,348 9.594,349 2.748,350 3.991,351 2.948,352 6.104,353 3.716,354 2.751,355 3.457,356 0.8,357 8.919,358 2.644,359 3.928,360 2.817,361 5.637,362 3.606,363 2.649,364 3.354,365 0.172,366 7.742,367 2.545,368 3.655,369 2.533,370 5.516,371 3.328,372 2.367,373 3.063,375 7.116,376 2.256,377 3.522,378 2.393,379 5.045,380 3.239,381 2.271,382 2.605,384 6.1,385 2.194,386 3.257,387 2.326,388 5.044,389 3.04,390 2.095,391 2.346,393 6.043,394 1.97,395 2.97,396 2.119,397 4.745,398 2.654,399 1.734,400 2.182,402 4.82,403 1.593,404 2.935,405 1.579,406 4.399,407 2.441,408 1.49,409 2.043,411 4.225,412 1.414,413 2.816,414 1.512,415 4.082,416 2.414,417 1.427,418 1.906,420 3.225,421 1.405,422 2.528,423 1.486,424 3.755,425 2.152,426 1.251,427 1.539,428 2.992,429 1.119,430 2.5,431 1.256,432 3.587,433 2.041,434 1.096,435 1.5,436 2.876,437 1.03,438 2.5,439 1.113,440 3.423,441 2,442 1,443 1.5,445 2.275,446 1,447 2.387,448 1.077,449 3.414,450 2,451 1,452 1.376,454 2.275,455 1,456 2.01,457 1,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 16.633,466 0.475,467 0.688,468 0.02,469 45,470 1.286,471 21,472 0.6,473 24,474 0.686,475 32.329,476 0.924,477 37.367,478 0.566,479 34.357,480 0.982,481 8.699,482 0.249,483 8.544,484 0.244,485 0.024,487 0.313,493 0.901,494 1.398,495 0.814,496 1.13,497 0.94,498 0.987,499 1.327,500 1.146,501 0.98,502 0.973,503 0.88,504 0.944,505 1.118,506 1.198,507 1.02,508 1.038,509 0.884,510 1.02,511 0.868,512 0.916,513 0.956,514 0.898,515 0.954,516 0.921,517 0.831,518 1.044,519 0.903,520 0.947,521 0.913,522 0.928,523 1.092,524 1.144,525 1.098,526 1.09,527 0.948,528 1.084,529 1.196,530 1.006,531 1.165,532 1.002,533 1.127,534 1.057,535 0.697,536 1.037,537 1.084,538 1.201,539 0.792,540 1.193,541 5.5,542 0.193,543 3.556,544 1.597,545 1.596,546 1.33,547 0.951,548 0.451,549 0.325,550 0.292,551 19399,552 42807,553 2.227,554 47,556 24,558 1,559 2,562 4,564 1.77,565 2.165,566 3.625,567 0.162,573 97.316,574 1.474,575 3.643,576 4.661,577 5.094,578 5.135,579 5.135,580 3.087,581 4.672,582 5.093,583 3.819,584 2272.45,585 8.966,586 35003.3,591 398.93,592 1.069,593 5.093,594 0.138,595 0.006,596 0.063,597 0.028,598 0.03,599 0.023,600 0.017,601 0.009,602 0.007,603 0.007,604 0.327,605 0.17,606 0.75,607 0.293,608 188.392,609 0.044,610 -0.175,611 0.087,612 -0.067,613 -0.005,614 0.002,615 -0.075,616 -0.008,617 -0.013,618 0.016,619 0.025,620 0.006,621 -0.05,622 -0.144,623 -0.043,624 -0.063,625 0.04,626 -0.057,627 0.056,628 0.107,629 0.034,630 0.05,631 -0.013,632 0.041,633 0.031,634 -0.018,635 0.066,636 0.039,637 -0.049,638 0.056,639 -0.075,640 -0.059,641 -0.127,642 -0.124,643 -0.051,644 -0.128,645 -0.072,646 0.049,647 -0.175,648 -0.05,649 -0.139,650 -0.108,651 0.056,652 -0.048,653 -0.133,654 -0.178,655 -0.014,656 -0.179,657 1.008,658 2.09,659 0.943,660 43.017,661 0.995,662 1.132,663 4.083,664 16.672,665 0.661,666 3.714,667 4.043,668 4.357,669 4.663,670 4.963,671 5.106,672 5.342,673 5.557,674 5.73,675 5.881,676 7.582,677 0.624,678 469.65,679 3.714,680 5.263,681 6.129,682 7.015,683 7.901,684 8.797,685 9.694,686 10.598,687 11.502,688 12.412,689 10.6,692 1,693 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,722 1,726 1,731 66,733 22,734 2,735 40,737 71,738 27,739 17,740 3,741 9,746 6,747 7,755 3,758 3,761 17,762 10,781 31,782 7,783 2,784 8,790 7,794 0.833,795 1,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,849 1,854 9,856 1,858 1,859 2,870 1.5,874 1,877 16.167,878 11.617,879 7.583,880 4.119,881 3.729,882 1.429,883 1.027,884 6.383,885 12.412,886 3.951,887 4.546,888 5.161,889 5.781,890 6.359,891 6.735,892 7.233,893 7.708,894 8.073,895 8.458,896 0.889,897 57,898 12.964,900 5.569,901 7.471,902 25.596,904 21.807,905 1.971,906 69,910 341.362,911 137.188,912 91.156,914 11,917 137.188,918 352.362,919 91.156,921 24.782,922 118.183,923 74.72,924 31.101,925 2.328,926 329.591,928 341.362,929 228.344,930 11,933 296.605,934 47.084,935 11,937 40.446,938 135.337,939 50.234,941 341.362,942 102.156,943 137.188,946 341.362,947 42.854,948 102.359,950 94.131,951 341.362,952 102.156,953 137.188,955 0.579,956 0.338,957 0.188,958 0.109,959 29,960 11,961 0.07,962 5,963 1,964 1.061,965 4.648,966 352.042,967 0.061,968 33,969 163.525,974 22.475,975 9.94,976 4.766,977 1.924,978 100.38,979 20.433,980 14.878,984 4.711,985 2.14,986 32.897,987 580.706,988 51,999 65.643,1000 74.68,1001 0.244,1002 0.603,1003 0.771,1004 0.843,1005 0.85,1006 0.85,1007 5.196,1008 1.734,1009 6.098,1010 6.043,1011 4.727,1012 5.234,1013 1.598,1014 6.913,1015 4.636,1016 6.377,1017 1.49,1018 7.649,1019 4.82,1020 4.205,1021 4.945,1022 0.57,1023 7.803,1024 4.06,1025 7.673,1026 1.427,1027 9.302,1028 4.225,1029 6.315,1030 7.422,1031 1.256,1032 10.944,1033 6.133,1034 9.006,1035 1.251,1036 11.019,1037 3.225,1038 6.661,1039 8.048,1040 0.581,1041 12.719,1042 6.423,1043 10.377,1044 1.096,1045 12.779,1046 2.992,1047 8.195,1048 9.962,1049 1.023,1050 15.37,1051 7.92,1052 11.776,1053 1,1054 14.569,1055 2.876,1056 8.953,1057 11.036,1058 0.515,1059 17.514,1060 8.619,1061 13.196,1062 1,1063 16.381,1064 2.275,1065 10.25,1066 12.716,1067 0.84,1068 20.009,1069 9.875,1070 3.288,1071 1,1072 18.211,1073 2.275,1074 11.213,1075 14.02,1076 0.441,1077 22.315,1078 10.779,1079 2.864,1080 11.616,1081 20.054,1082 2.136,1083 12.414,1084 15.601,1085 0.689,1086 24.764,1087 11.936,1088 2.751,1089 9.594,1090 21.909,1091 4.638,1092 13.48,1093 17.02,1094 0.373,1095 27.142,1096 12.942,1097 2.649,1098 8.919,1099 23.773,1100 3.783,1101 14.649,1102 18.564,1103 0.564,1104 29.58,1105 14.062,1106 2.367,1107 7.742,1108 25.645,1109 3.457,1110 15.766,1111 20.04,1112 0.314,1113 31.992,1114 15.121,1115 2.271,1116 7.116,1117 27.524,1118 3.354,1119 16.928,1120 21.572,1121 0.461,1122 34.43,1123 16.231,1124 2.095,1125 6.1,1126 29.409,1127 3.063,1128 18.072,1129 23.076,1130 0.264,1131 36.86,1132 17.319,1133 17647,1134 26382,1135 28.027,1136 43.631,1137 60.377,1138 60.402,1139 60.736,1140 60.214,1141 60.146,1142 76.565,1143 5.498,1144 172.433,1145 57.389,1146 5.693,1147 5.38,1148 6.705,1149 5.34,1150 5.288,1151 7.638,1152 1.776,1153 19.165,1154 5.12,1155 8.317,1156 1.509,1157 1.51,1158 1.518,1159 1.505,1160 1.504,1161 1.914,1162 0.137,1163 4.311,1164 1.435,1165 4.142,1166 4.193,1167 4.116,1168 3.985,1169 5.16,1170 4.01,1171 3.931,1172 3.972,1173 3.854,1174 3.855,1175 5.078,1176 3.85,1177 3.883,1178 3.92,1179 3.823,1180 3.797,1181 4.755,1182 3.801,1183 3.781,1184 3.837,1185 3.673,1186 3.625,1187 4.642,1188 3.627,1189 3.691,1190 3.749,1191 3.574,1192 3.483,1193 4.595,1194 3.498,1195 3.304,1196 3.379,1197 3.241,1198 3.092,1199 4.352,1200 3.113,1201 3.17,1202 3.244,1203 3.048,1204 3.013,1205 4.244,1206 3.017,1207 3.111,1208 3.206,1209 2.883,1210 2.941,1211 3.985,1212 2.91,1213 0.117,1214 0.084,1215 0.173,1216 0.106,1217 0.082,1218 4.693,1219 0.116,1220 3.38,1221 0.023,1222 6.903,1223 0.29,1224 4.237,1225 0.078,1226 3.288,1227 4.638,1228 0.916,1229 11.616,1230 3.12,1231 1.957,1232 1.923,1233 2.082,1234 2.106,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.03,1240 2.046,1241 1.22,1242 2.046,1243 1.826,1244 1.781,1245 1.988,1246 1.955,1247 1.14,1248 1.966,1249 1.768,1250 1.718,1251 1.932,1252 1.95,1253 1.09,1254 1.952,1255 1.581,1256 1.532,1257 1.719,1258 1.782,1259 0.879,1260 1.768,1261 1.316,1262 1.237,1263 1.514,1264 1.601,1265 0.825,1266 1.57,1267 1.153,1268 1.073,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.728,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.866,1286 6.862,1287 10.531,1293 5.926,1295 8.244,1297 5.59,1299 0.325,1300 4.828,1305 41.186,1306 97.316,1307 240.471,1308 307.646,1309 336.175,1310 338.93,1311 338.93,1312 46.169,1313 8.684,1314 85.33,1315 85.33,1316 35,1317 12.929,1318 4.524,1319 3.585,1320 46.935,1321 153,1322 189,1323 0.144,1324 247.686,1325 417.29,1326 596.113,1327 77214,1329 23.614,1330 0.675,1331 0.568,1332 23.614,1333 19.884,1334 17.242,1335 0.431,1336 0.311,1337 12.269,1338 16.588,1339 12.059,1340 9.889,1341 17.242,1342 12.446,1343 15.403,1344 0.275,1345 0.168,1346 15.403,1347 9.412,1348 13.504,1349 0.175,1350 0.092,1351 13.504,1352 7.065,1353 11.56,1354 0.11,1355 0.049,1356 11.56,1357 5.119,1358 9.961,1359 0.07,1360 0.027,1361 9.961,1362 3.766,1363 0.226,1364 107.738,1365 0.189,1366 32.149,1367 0.398,1368 192,1369 476.918,1370 209.144,1371 465.493,1372 659.61,1373 442,1374 229,1375 505.211,1376 248.893,1377 510.94,1378 755.87,1379 483,1380 5.864}
{0 CHEMBL1095626,1 1.63,2 11.469,3 1.236,4 1.529,5 119.746,6 7.416,7 0.444,8 4.204,9 4.332,10 3.776,11 3.648,12 5.271,13 3.657,14 4.786,15 4.973,16 4.147,17 4.06,18 5.822,19 4.047,20 5.015,21 5.235,22 4.221,23 4.224,24 5.981,25 4.179,26 5.109,27 5.347,28 4.188,29 4.239,30 6.108,31 4.183,32 5.036,33 5.261,34 4.163,35 4.246,36 5.984,37 4.181,38 5.044,39 5.274,40 4.183,41 4.245,42 5.992,43 4.178,44 5.037,45 5.27,46 4.15,47 4.223,48 6.009,49 4.157,50 5.024,51 5.247,52 4.065,53 4.252,54 5.964,55 4.145,56 0.093,57 0.937,58 12.635,59 4.812,60 9.861,61 6.736,62 0.623,63 1.485,64 25.928,65 7.796,66 38.871,67 11.452,68 0.498,69 1.795,70 33.2,71 9.796,72 38.74,73 15.202,74 0.816,75 1.85,76 38.305,77 10.435,78 71.202,79 15.844,80 0.577,81 1.791,82 34.406,83 10.59,84 54.377,85 15.978,86 0.591,87 1.843,88 34.331,89 10.231,90 44.653,91 15.941,92 0.725,93 1.771,94 34.615,95 9.832,96 52.961,97 15.42,98 0.478,99 1.722,100 33.209,101 12.344,102 43.799,103 17.687,104 12,105 51,106 0.264,107 0.613,108 0.77,109 0.803,110 0.803,111 0.803,112 3.503,113 0.909,114 -3.77,115 -3.73,116 -3.55,119 37.3,121 2,124 1,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,163 1,164 1,165 1,166 1,172 4,174 6,175 11,180 2,183 5,185 2,186 2,187 6,192 2,195 2,197 2,198 6,199 12,204 1,207 3,209 1,211 2,212 6,220 2,223 3,224 11,226 2,227 2,232 4,236 5,237 3,245 4,249 4,250 5,252 2,253 2,255 1,258 4,260 1,263 6,265 1,266 1,275 1858,276 22.093,277 22.093,278 22.093,279 22.093,280 22.093,281 20.177,282 28.328,283 12.914,284 22.848,285 17.706,286 17.706,287 17.706,288 17.706,289 17.706,290 14.627,291 34.988,292 6.058,293 18.809,294 4.252,295 2.103,296 1.131,297 0.928,298 0.928,299 0.928,300 4.213,304 1,305 1,306 805,307 3,310 70.151,311 363.559,314 127.309,318 1.719,319 31.853,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 70.5,331 367,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.172,342 3.377,343 6.331,344 3.834,345 2.886,346 3.783,347 0.86,348 9.601,349 2.752,350 4.007,351 3.028,352 6.104,353 3.73,354 2.763,355 3.357,356 0.8,357 8.919,358 2.655,359 3.907,360 2.821,361 6.011,362 3.63,363 2.704,364 3.094,365 0.655,366 8.496,367 2.492,368 3.655,369 2.543,370 5.561,371 3.273,372 2.317,373 3.061,374 0.13,375 7.098,376 2.212,377 3.407,378 2.36,379 5.045,380 3.188,381 2.223,382 2.499,384 6.091,385 2.134,386 2.996,387 2.298,388 4.788,389 2.721,390 1.795,391 2.182,393 4.931,394 1.656,395 2.962,396 2.074,397 4.4,398 2.442,399 1.496,400 2.049,402 4.229,403 1.413,404 2.701,405 1.528,406 4.24,407 2.393,408 1.473,409 1.723,411 3.712,412 1.339,413 2.5,414 1.51,415 3.959,416 2.108,417 1.219,418 1.5,420 2.974,421 1.075,422 2.494,423 1.461,424 3.754,425 2.018,426 1.07,427 1.485,428 2.84,429 1.01,430 2.327,431 1.256,432 3.422,433 2,434 1,435 1.299,436 2.275,437 1,438 2,439 1.105,440 3.414,441 1.984,442 1,443 1,445 2.275,446 0.983,447 2,448 1.077,449 3.414,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.991,457 1,458 3.247,459 1.601,460 0.68,461 0.863,463 1.858,464 0.624,465 14.8,466 0.463,467 0.709,468 0.022,469 39.25,470 1.227,471 16.5,472 0.516,473 22.75,474 0.711,475 29.532,476 0.923,477 35.6,478 0.603,479 31.378,480 0.981,481 7.721,482 0.241,483 7.914,484 0.247,485 0.083,487 0.351,493 0.842,494 1.577,495 0.768,496 1.27,497 0.692,498 1.039,499 1.031,500 1.098,501 0.901,502 0.886,503 0.618,504 0.872,505 0.923,506 1.256,507 0.931,508 1.049,509 0.708,510 0.99,511 1.217,512 0.882,513 1.082,514 0.854,515 1.502,516 0.923,517 0.984,518 1.11,519 1.007,520 1,521 1.087,522 1.004,523 0.784,524 1.139,525 1.014,526 1.064,527 0.627,528 1.065,529 0.864,530 0.971,531 1.057,532 0.95,533 0.641,534 1.003,535 0.583,536 1.05,537 1.044,538 1.298,539 0.578,540 1.267,541 5.5,542 0.256,543 4.222,544 1.66,545 1.485,546 1.469,547 0.954,548 0.424,549 0.326,550 0.321,551 13625,552 36457,553 2.154,554 45.8,556 20,558 1,559 2,562 4,564 1.751,565 2.043,566 3.448,567 0.27,569 1,573 96.18,574 1.63,575 3.78,576 4.751,577 4.955,578 4.955,579 4.955,580 2.924,581 4.5,582 4.964,583 3.618,584 1794.7,585 8.725,586 25414.7,588 1,591 347.076,592 1.317,593 4.943,594 0.153,595 0.01,596 0.083,597 0.031,598 0.029,599 0.029,600 0.019,601 0.009,602 0.007,603 0.009,604 0.378,605 0.33,606 0.88,607 0.789,608 165.752,609 -0.023,610 -0.287,611 0.081,612 -0.146,613 -0.025,614 -0.033,615 0.054,616 0.045,617 0.046,618 0.119,619 0.103,620 0.081,621 -0.065,622 -0.168,623 0.01,624 -0.051,625 0.026,626 -0.012,627 -0.157,628 0.159,629 -0.094,630 0.088,631 -0.219,632 0.019,633 -0.108,634 -0.051,635 -0.062,636 0.013,637 -0.172,638 -0.014,639 -0.007,640 -0.04,641 -0.079,642 -0.077,643 -0.012,644 -0.089,645 -0.001,646 0.117,647 -0.106,648 0.019,649 0.021,650 -0.042,651 0.109,652 -0.001,653 -0.135,654 -0.223,655 0.09,656 -0.226,657 1.948,658 4.854,659 0.844,660 34.078,661 1.009,662 1.14,663 2.536,664 6.43,665 0.644,666 3.611,667 3.951,668 4.277,669 4.564,670 4.86,671 5.043,672 5.283,673 5.476,674 5.642,675 5.793,676 6.707,677 0.62,678 437.56,679 3.611,680 5.165,681 6.038,682 6.929,683 7.822,684 8.724,685 9.628,686 10.537,687 11.447,688 12.361,689 11.9,693 1,695 1,696 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,726 1,731 59,733 17,734 1,735 36,737 63,738 22,739 11,740 2,741 4,746 5,747 6,755 3,758 3,761 12,762 10,766 1,771 1,775 1,778 1,781 27,782 9,783 2,784 10,790 7,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 1,848 32,849 1,854 8,856 2,858 1,859 2,870 5.1,873 1,874 1,875 1,877 15.667,878 10.783,879 7.028,880 3.583,881 3.007,882 1.365,883 0.993,884 6.065,885 11.245,886 3.829,887 4.416,888 5.035,889 5.644,890 6.227,891 6.681,892 7.196,893 7.675,894 8.045,895 8.434,896 0.875,897 54,898 11.852,900 5.09,901 7.688,902 22.863,904 19.135,905 2.188,906 70,910 294.278,911 102.161,912 91.156,914 47.145,917 102.161,918 341.422,919 91.156,920 10.883,921 25.801,922 70.802,923 99.865,924 35.791,925 9.09,926 282.506,928 294.278,929 193.318,930 47.145,933 249.521,934 83.229,935 11,937 38.34,938 102.415,939 50.234,941 294.278,942 138.301,943 102.161,946 294.278,947 44.326,948 65.861,950 130.276,951 294.278,952 138.301,953 102.161,955 0.582,956 0.349,957 0.185,958 0.105,959 26,960 11,961 0.063,962 4,963 1,964 1.074,965 4.25,966 311.585,967 0.074,968 27,969 148,974 21.284,975 9.119,976 4.246,977 1.742,978 136.525,979 9.456,980 14.561,984 3.13,985 1.996,986 32.897,987 534.74,988 45,993 11.854,997 -0.281,999 59.531,1000 67.268,1001 0.277,1002 0.643,1003 0.808,1004 0.842,1005 0.842,1006 0.842,1007 5.088,1008 1.496,1009 6.023,1010 4.931,1011 4.635,1012 5.103,1013 2.535,1014 6.862,1015 4.523,1016 6.277,1017 1.473,1018 7.597,1019 4.229,1020 4.205,1021 4.934,1022 1.905,1023 7.818,1024 4.046,1025 7.586,1026 1.219,1027 9.273,1028 3.712,1029 6.252,1030 7.302,1031 3.572,1032 10.944,1033 6.036,1034 8.933,1035 1.07,1036 11.009,1037 2.974,1038 6.673,1039 8.028,1040 3.664,1041 12.749,1042 6.408,1043 10.317,1044 1,1045 12.785,1046 2.84,1047 8.165,1048 9.87,1049 4.963,1050 15.393,1051 7.849,1052 11.727,1053 1,1054 14.588,1055 2.275,1056 8.972,1057 11.011,1058 5.371,1059 17.545,1060 8.603,1061 13.157,1062 1,1063 16.411,1064 2.275,1065 10.247,1066 12.653,1067 6.459,1068 20.035,1069 9.828,1070 3.289,1071 0.68,1072 18.249,1073 2.136,1074 11.237,1075 13.997,1076 7.028,1077 22.34,1078 10.764,1079 2.886,1080 11.617,1081 20.098,1082 1.858,1083 12.429,1084 15.562,1085 7.994,1086 24.784,1087 11.906,1088 2.763,1089 9.601,1090 21.956,1091 4.638,1092 13.507,1093 17.003,1094 8.654,1095 27.159,1096 12.931,1097 2.704,1098 8.919,1099 23.822,1100 3.783,1101 14.671,1102 18.54,1103 9.549,1104 29.594,1105 14.045,1106 2.317,1107 8.496,1108 25.695,1109 3.357,1110 15.793,1111 20.028,1112 10.263,1113 32.004,1114 15.113,1115 2.223,1116 7.098,1117 27.573,1118 3.094,1119 16.952,1120 21.558,1121 11.116,1122 34.439,1123 16.221,1124 1.795,1125 6.091,1126 29.457,1127 3.061,1128 18.098,1129 23.068,1130 11.862,1131 36.867,1132 17.314,1133 12832,1134 21105,1135 24.561,1136 38.017,1137 54.559,1138 55.94,1139 56.189,1140 54.248,1141 54.255,1142 67.542,1143 9.306,1144 158.672,1145 51.192,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.165,1154 5.12,1155 13.552,1156 1.516,1157 1.554,1158 1.561,1159 1.507,1160 1.507,1161 1.876,1162 0.258,1163 4.408,1164 1.422,1165 4.139,1166 4.19,1167 4.115,1168 3.98,1169 7.433,1170 4.006,1171 3.891,1172 3.931,1173 3.827,1174 3.8,1175 5.16,1176 3.804,1177 3.813,1178 3.866,1179 3.723,1180 3.643,1181 5.078,1182 3.651,1183 3.715,1184 3.772,1185 3.608,1186 3.487,1187 4.642,1188 3.505,1189 3.427,1190 3.457,1191 3.345,1192 3.122,1193 4.597,1194 3.175,1195 3.252,1196 3.326,1197 3.178,1198 3.031,1199 4.512,1200 3.058,1201 3.111,1202 3.206,1203 2.931,1204 2.941,1205 4.345,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.173,1212 2.91,1213 0.13,1214 0.104,1215 0.192,1216 0.118,1217 0.091,1218 4.693,1219 0.129,1220 3.761,1221 0.061,1222 6.903,1223 0.323,1224 4.237,1225 0.087,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.954,1232 1.921,1233 2.049,1234 2.102,1235 1.409,1236 2.084,1237 1.846,1238 1.795,1239 2.013,1240 2.021,1241 1.219,1242 2.02,1243 1.774,1244 1.726,1245 1.932,1246 1.954,1247 1.09,1248 1.953,1249 1.582,1250 1.534,1251 1.719,1252 1.793,1253 0.877,1254 1.772,1255 1.339,1256 1.291,1257 1.602,1258 1.67,1259 0.825,1260 1.632,1261 1.202,1262 1.128,1263 1.513,1264 1.521,1265 0.825,1266 1.504,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.629,1272 1.429,1273 1.153,1274 1.064,1275 1.415,1276 1.376,1277 0.565,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.727,1285 8.791,1286 6.862,1287 10.466,1289 1.415,1293 5.876,1295 5.73,1297 10.399,1299 0.153,1300 3.969,1305 36.562,1306 96.18,1307 223.028,1308 280.321,1309 292.321,1310 292.321,1311 292.321,1312 50.04,1313 8.237,1314 111.63,1315 111.63,1316 29,1317 12.875,1318 4.17,1319 3.322,1320 45.409,1321 124,1322 155,1323 0.176,1324 220.965,1325 376.91,1326 530.914,1327 41476,1329 22.079,1330 0.69,1331 0.566,1332 22.079,1333 18.106,1334 15.635,1335 0.434,1336 0.303,1337 10.676,1338 14.767,1339 10.497,1340 8.599,1341 15.635,1342 10.906,1343 13.943,1344 0.273,1345 0.159,1346 13.943,1347 8.107,1348 12.486,1349 0.176,1350 0.087,1351 12.486,1352 6.156,1353 10.289,1354 0.108,1355 0.046,1356 10.289,1357 4.378,1358 8.683,1359 0.068,1360 0.025,1361 8.683,1362 3.146,1363 0.27,1364 99.751,1365 0.202,1366 29.488,1367 0.499,1368 174,1369 524.39,1370 196.901,1371 493.95,1372 682.44,1373 466,1374 209,1375 510.097,1376 233.544,1377 510.297,1378 755.7,1379 479,1380 6.096}
{0 CHEMBL1095627,1 1.573,2 12.429,3 2.168,4 4.699,5 133.55,6 7.054,7 0.41,8 4.325,9 4.458,10 3.853,11 3.777,12 5.354,13 3.769,14 4.919,15 5.114,16 4.259,17 4.192,18 5.93,19 4.168,20 5.187,21 5.403,22 4.296,23 4.364,24 6.135,25 4.303,26 5.29,27 5.555,28 4.3,29 4.366,30 6.247,31 4.291,32 5.167,33 5.387,34 4.272,35 4.347,36 6.177,37 4.295,38 5.154,39 5.36,40 4.298,41 4.421,42 6.096,43 4.341,44 5.317,45 5.58,46 4.232,47 4.443,48 6.182,49 4.326,50 5.262,51 5.528,52 4.138,53 4.391,54 6.093,55 4.252,56 0.059,57 1.053,58 15.475,59 5.787,60 11.906,61 8.337,62 0.542,63 1.672,64 30.726,65 9.444,66 42.306,67 14.229,68 0.593,69 2.039,70 41.143,71 11.882,72 51.736,73 18.329,74 0.746,75 2.108,76 47.301,77 12.975,78 73.703,79 20.544,80 0.755,81 1.987,82 40.955,83 11.164,84 82.582,85 17.206,86 0.48,87 2.135,88 38.243,89 12.368,90 44.123,91 19.015,92 0.756,93 2.197,94 47.662,95 14.229,96 64.993,97 22.653,98 0.513,99 2.02,100 44.777,101 15.593,102 56.991,103 23.396,104 29,105 57,106 0.248,107 0.578,108 0.739,109 0.767,110 0.767,111 0.767,112 3.589,113 0.939,114 -4.4,115 -4.33,116 -4.08,119 36.8,120 3,121 2,125 6,127 1,130 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,163 1,164 1,165 1,166 1,172 4,174 6,175 14,180 2,183 8,185 2,186 2,187 6,192 2,195 2,197 2,198 6,199 18,204 1,207 3,209 1,211 2,212 6,220 2,223 3,224 11,226 2,227 2,232 10,236 5,237 3,245 4,249 4,250 8,252 2,253 2,255 1,258 4,260 1,263 9,265 1,266 1,275 2419,276 23.325,277 23.325,278 23.325,279 23.325,280 23.325,281 21.409,282 31.563,283 13.513,284 24.036,285 19.283,286 19.283,287 19.283,288 19.283,289 19.283,290 16.243,291 41.965,292 6.463,293 20.445,294 4.514,295 2.42,296 1.401,297 1.225,298 1.225,299 1.225,300 4.293,305 1,306 944,307 3.873,310 80.669,311 415.176,314 146.647,318 1.959,319 34.827,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 76.5,331 435,332 4.693,333 3.848,334 6.903,335 4.238,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.201,342 3.379,343 6.484,344 4.088,345 3.153,346 3.783,347 0.86,348 10.252,349 2.937,350 4.167,351 3.235,352 6.329,353 3.819,354 2.867,355 3.359,356 0.8,357 9.597,358 2.748,359 3.986,360 3.025,361 6.104,362 3.718,363 2.753,364 3.274,365 0.655,366 8.919,367 2.642,368 3.788,369 2.82,370 5.931,371 3.578,372 2.645,373 3.063,374 0.13,375 8.311,376 2.454,377 3.655,378 2.536,379 5.559,380 3.269,381 2.311,382 2.867,384 7.09,385 2.21,386 3.396,387 2.356,388 5.045,389 3.179,390 2.213,391 2.488,393 6.091,394 2.125,395 2.987,396 2.289,397 4.786,398 2.707,399 1.78,400 2.182,402 4.926,403 1.645,404 2.96,405 2.068,406 4.4,407 2.441,408 1.491,409 2.039,411 4.229,412 1.413,413 2.671,414 1.528,415 4.229,416 2.335,417 1.399,418 1.686,420 3.679,421 1.293,422 2.5,423 1.51,424 3.962,425 2.092,426 1.194,427 1.5,428 2.964,429 1.062,430 2.486,431 1.256,432 3.755,433 2.001,434 1.046,435 1.471,436 2.832,437 1,438 2.31,439 1.106,440 3.422,441 2,442 1,443 1.264,445 2.275,446 0.992,447 2,448 1.077,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1,458 3.414,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.3,466 0.466,467 1.062,468 0.03,469 40.75,470 1.164,471 16.5,472 0.471,473 24.25,474 0.693,475 37.362,476 1.067,477 39.5,478 0.581,479 33.091,480 0.945,481 7.616,482 0.218,483 9.166,484 0.262,485 0.137,486 0.031,487 0.319,493 0.832,494 1.573,495 0.82,496 1.294,497 0.748,498 1.085,499 0.947,500 1.141,501 0.835,502 0.956,503 0.542,504 0.885,505 1.303,506 1.249,507 1.104,508 1.079,509 0.916,510 1.064,511 1.055,512 0.902,513 0.889,514 0.831,515 1.263,516 0.825,517 1.543,518 0.976,519 1.143,520 0.823,521 2.131,522 0.902,523 0.803,524 1.303,525 1.155,526 1.27,527 0.658,528 1.26,529 0.728,530 0.972,531 1.009,532 0.998,533 0.565,534 1.028,535 0.49,536 0.993,537 0.881,538 1.14,539 0.501,540 1.088,541 8,542 0.349,543 4.444,544 2.16,545 1.805,546 1.691,547 1.016,548 0.538,549 0.4,550 0.412,551 17642,552 42724,553 2.099,554 48.5,556 17,558 1,559 2,561 9,562 4,564 1.771,565 1.953,566 3.557,567 0.219,573 106.98,574 1.573,575 3.667,576 4.686,577 4.863,578 4.863,579 4.863,580 3.065,581 4.651,582 5.094,583 3.786,584 2252.44,585 8.972,586 34559.7,591 413.947,592 1.566,593 5.051,594 0.205,595 0.01,596 0.078,597 0.038,598 0.032,599 0.03,600 0.018,601 0.01,602 0.009,603 0.01,604 0.439,605 0.17,606 0.75,607 0.987,608 187.948,609 0.001,610 -0.258,611 0.081,612 -0.129,613 -0.06,614 -0.028,615 0.143,616 0.012,617 0.139,618 0.076,619 0.19,620 0.101,621 -0.165,622 -0.166,623 -0.116,624 -0.077,625 -0.092,626 -0.092,627 -0.022,628 0.091,629 0.115,630 0.108,631 -0.035,632 0.13,633 -0.276,634 0.106,635 -0.133,636 0.148,637 -0.357,638 0.046,639 -0.027,640 -0.119,641 -0.225,642 -0.222,643 -0.041,644 -0.254,645 0.058,646 0.052,647 -0.047,648 -0.014,649 0.051,650 -0.038,651 0.172,652 -0.025,653 0.059,654 -0.098,655 0.142,656 -0.049,657 1.927,658 5.501,659 0.771,660 41.851,661 1.003,662 1.14,663 3.169,664 10.044,665 0.637,666 3.689,667 4.06,668 4.317,669 4.625,670 4.905,671 5.081,672 5.313,673 5.525,674 5.704,675 5.846,676 7.456,677 0.605,678 479.65,679 3.689,680 5.263,681 6.12,682 7.024,683 7.903,684 8.812,685 9.704,686 10.618,687 11.518,688 12.435,689 10.3,693 1,695 1,696 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,726 1,731 68,733 17,734 1,735 39,737 72,738 25,739 11,740 2,741 4,746 5,747 6,752 3,755 3,758 3,761 12,762 13,763 1,766 1,771 1,775 1,781 33,782 9,783 2,784 10,790 7,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 3,848 35,849 1,854 8,856 2,858 1,859 2,860 1,870 4.4,873 1,874 1,875 1,877 17.917,878 13.033,879 7.403,880 4.208,881 2.982,882 1.354,883 0.968,884 6.774,885 11.412,886 3.892,887 4.486,888 5.054,889 5.675,890 6.239,891 6.689,892 7.201,893 7.681,894 8.053,895 8.443,896 1,897 57,898 13.006,900 5.592,901 7.65,902 25.172,904 21.132,905 2.15,906 75.25,910 364.904,911 117.754,912 91.156,914 47.145,917 117.754,918 412.049,919 91.156,920 26.476,921 25.801,922 70.802,923 99.865,924 35.791,925 9.09,926 353.133,928 364.904,929 208.91,930 47.145,933 214.208,934 189.169,935 11,937 64.816,938 91.532,939 50.234,941 364.904,942 138.301,943 117.754,946 364.904,947 44.326,948 81.453,950 130.276,951 364.904,952 138.301,953 117.754,955 0.594,956 0.327,957 0.178,958 0.101,959 29,960 13,961 0.069,962 5,963 1,964 1.074,965 4.449,966 348.411,967 0.074,968 27,969 162.77,974 24.138,975 9.823,976 5.335,977 1.74,978 136.525,979 9.481,980 14.656,984 3.127,985 2.008,986 32.897,987 620.959,988 48,993 12.501,997 -0.26,999 68.181,1000 77.514,1001 0.258,1002 0.602,1003 0.77,1004 0.799,1005 0.799,1006 0.799,1007 5.176,1008 1.78,1009 6.146,1010 6.091,1011 4.745,1012 5.173,1013 2.535,1014 7.002,1015 4.634,1016 6.389,1017 1.491,1018 7.735,1019 4.926,1020 4.511,1021 5.094,1022 1.905,1023 8.1,1024 4.351,1025 7.713,1026 1.399,1027 9.427,1028 4.229,1029 6.422,1030 7.365,1031 3.572,1032 11.135,1033 6.199,1034 9.07,1035 1.194,1036 11.178,1037 3.679,1038 6.967,1039 8.112,1040 3.664,1041 13.004,1042 6.692,1043 10.46,1044 1.046,1045 12.967,1046 2.964,1047 8.396,1048 9.917,1049 4.963,1050 15.609,1051 8.063,1052 11.872,1053 1,1054 14.78,1055 2.832,1056 9.274,1057 11.057,1058 5.371,1059 17.781,1060 8.883,1061 13.302,1062 1,1063 16.61,1064 2.275,1065 10.524,1066 12.683,1067 6.459,1068 20.249,1069 10.077,1070 3.289,1071 1,1072 18.452,1073 2.275,1074 11.551,1075 14.022,1076 7.028,1077 22.552,1078 11.045,1079 3.153,1080 11.617,1081 20.305,1082 2.136,1083 12.735,1084 15.579,1085 7.994,1086 24.979,1087 12.173,1088 2.867,1089 10.252,1090 22.165,1091 4.638,1092 13.831,1093 17.016,1094 8.654,1095 27.345,1096 13.21,1097 2.753,1098 9.597,1099 24.032,1100 3.783,1101 14.993,1102 18.55,1103 9.549,1104 29.763,1105 14.316,1106 2.645,1107 8.919,1108 25.904,1109 3.359,1110 16.123,1111 20.035,1112 10.263,1113 32.16,1114 15.387,1115 2.311,1116 8.311,1117 27.781,1118 3.274,1119 17.281,1120 21.563,1121 11.116,1122 34.582,1123 16.489,1124 2.213,1125 7.09,1126 29.662,1127 3.063,1128 18.429,1129 23.071,1130 11.862,1131 36.997,1132 17.579,1133 16750,1134 26223,1135 25.948,1136 43.302,1137 60.189,1138 61.251,1139 60.476,1140 59.63,1141 59.615,1142 72.931,1143 9.306,1144 178.09,1145 56.372,1146 5.693,1147 5.848,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 18.461,1156 1.543,1157 1.571,1158 1.551,1159 1.529,1160 1.529,1161 1.87,1162 0.239,1163 4.566,1164 1.445,1165 4.14,1166 4.191,1167 4.116,1168 3.981,1169 7.433,1170 4.007,1171 3.891,1172 3.932,1173 3.828,1174 3.801,1175 5.16,1176 3.804,1177 3.827,1178 3.875,1179 3.743,1180 3.652,1181 5.078,1182 3.663,1183 3.742,1184 3.796,1185 3.629,1186 3.55,1187 4.642,1188 3.551,1189 3.665,1190 3.724,1191 3.528,1192 3.478,1193 4.598,1194 3.488,1195 3.316,1196 3.377,1197 3.26,1198 3.066,1199 4.563,1200 3.106,1201 3.181,1202 3.226,1203 3.103,1204 2.952,1205 4.346,1206 2.988,1207 3.111,1208 3.206,1209 2.894,1210 2.941,1211 4.192,1212 2.91,1213 0.12,1214 0.099,1215 0.177,1216 0.109,1217 0.084,1218 4.693,1219 0.119,1220 3.848,1221 0.057,1222 6.903,1223 0.298,1224 4.238,1225 0.08,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.954,1232 1.921,1233 2.05,1234 2.103,1235 1.409,1236 2.085,1237 1.847,1238 1.797,1239 2.014,1240 2.025,1241 1.219,1242 2.022,1243 1.776,1244 1.729,1245 1.943,1246 1.954,1247 1.118,1248 1.953,1249 1.689,1250 1.636,1251 1.932,1252 1.889,1253 1.09,1254 1.904,1255 1.581,1256 1.532,1257 1.718,1258 1.783,1259 0.877,1260 1.768,1261 1.29,1262 1.219,1263 1.513,1264 1.604,1265 0.825,1266 1.556,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.427,1276 1.376,1277 0.615,1278 1.429,1279 4.369,1281 5.727,1282 2.398,1283 7.269,1284 4.727,1285 8.892,1286 6.862,1287 10.561,1289 5.661,1293 5.899,1295 5.675,1297 11.108,1299 0.137,1300 4.021,1301 -0.503,1305 41.143,1306 106.98,1307 249.372,1308 318.663,1309 330.663,1310 330.663,1311 330.663,1312 62.897,1313 8.43,1314 111.63,1315 111.63,1316 29,1317 12.949,1318 4.17,1319 3.322,1320 52.022,1321 151,1322 164,1323 0.164,1324 249.742,1325 428.81,1326 601.13,1327 53596,1329 24.579,1330 0.702,1331 0.589,1332 24.579,1333 20.606,1334 16.782,1335 0.43,1336 0.313,1337 11.986,1338 15.935,1339 11.642,1340 9.604,1341 16.782,1342 12.201,1343 16.299,1344 0.286,1345 0.177,1346 16.299,1347 10.117,1348 12.777,1349 0.173,1350 0.086,1351 12.777,1352 6.375,1353 11.088,1354 0.11,1355 0.045,1356 11.088,1357 4.575,1358 9.065,1359 0.068,1360 0.025,1361 9.065,1362 3.294,1363 0.256,1364 106.277,1365 0.196,1366 31.951,1367 0.456,1368 192,1369 542.39,1370 216.895,1371 514.739,1372 713.76,1373 484,1374 227,1375 542.824,1376 252.541,1377 542.581,1378 800.91,1379 509,1380 7.387}
{0 CHEMBL1095932,1 1.626,2 14.132,3 1.826,4 3.333,5 140.867,6 7.259,7 0.381,8 4.386,9 4.518,10 3.933,11 3.816,12 5.44,13 3.819,14 4.973,15 5.169,16 4.309,17 4.216,18 6.033,19 4.198,20 5.217,21 5.441,22 4.366,23 4.376,24 6.19,25 4.332,26 5.275,27 5.511,28 4.38,29 4.398,30 6.324,31 4.35,32 5.233,33 5.45,34 4.358,35 4.421,36 6.271,37 4.37,38 5.234,39 5.448,40 4.351,41 4.47,42 6.185,43 4.39,44 5.329,45 5.587,46 4.297,47 4.464,48 6.218,49 4.36,50 5.274,51 5.529,52 4.252,53 4.421,54 6.196,55 4.304,56 0.101,57 1.119,58 15.81,59 5.83,60 9.978,61 8.429,62 0.76,63 1.739,64 32.112,65 9.457,66 52.337,67 14.34,68 0.733,69 2.068,70 42.333,71 11.746,72 58.097,73 18.367,74 0.896,75 2.14,76 45.581,77 12.273,78 86.121,79 19.031,80 0.835,81 2.121,82 42.909,83 12.177,84 90.334,85 18.543,86 0.64,87 2.239,88 41.21,89 13.144,90 51.437,91 20.155,92 0.829,93 2.228,94 47.88,95 14.272,96 66.122,97 22.738,98 0.728,99 2.073,100 45.012,101 15.456,102 72.87,103 23.088,104 38,105 59,106 0.253,107 0.593,108 0.782,109 0.808,110 0.808,111 0.808,112 3.668,113 0.932,114 -3.9,115 -3.86,116 -3.66,119 36.1,120 2,121 2,124 1,125 6,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 13,178 2,179 1,180 2,183 6,186 2,187 6,192 2,195 2,198 6,199 18,204 3,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 8,236 5,237 3,245 4,249 6,250 7,253 4,255 1,258 4,263 8,266 1,275 3178,276 25.817,277 25.817,278 25.817,279 25.817,280 25.817,281 23.798,282 35.883,283 15.188,284 26.652,285 20.689,286 20.689,287 20.689,288 20.689,289 20.689,290 17.362,291 46.806,292 7.172,293 21.95,294 4.544,295 2.361,296 1.143,297 0.976,298 0.976,299 0.976,300 4.373,306 1153,307 4.123,310 92.402,311 464.348,314 166.267,318 2.166,319 40.325,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 84,331 537,332 4.693,333 3.784,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.54,343 6.332,344 3.842,345 2.895,346 3.796,347 1.656,348 9.602,349 2.763,350 4.021,351 3.378,352 6.107,353 3.754,354 2.79,355 3.37,356 0.86,357 8.93,358 2.668,359 3.932,360 3.029,361 6.037,362 3.652,363 2.727,364 3.163,365 0.8,366 8.62,367 2.511,368 3.815,369 2.822,370 5.564,371 3.484,372 2.524,373 3.117,374 0.655,375 7.326,376 2.416,377 3.463,378 2.58,379 5.464,380 3.244,381 2.295,382 2.689,383 0.247,384 7.1,385 2.167,386 3.413,387 2.472,388 4.819,389 3.038,390 2.09,391 2.506,392 0.13,393 5.342,394 2.002,395 3.122,396 2.379,397 4.78,398 3.003,399 2.038,400 2.166,402 5.324,403 1.92,404 2.968,405 2.266,406 4.697,407 2.689,408 1.763,409 2.142,411 4.835,412 1.628,413 2.938,414 2.063,415 4.412,416 2.44,417 1.488,418 1.991,420 4.25,421 1.411,422 2.638,423 1.535,424 4.137,425 2.301,426 1.358,427 1.648,428 3.417,429 1.264,430 2.5,431 1.528,432 3.789,433 2.086,434 1.18,435 1.5,436 2.915,437 1.059,438 2.48,439 1.256,440 3.754,441 2,442 1.032,443 1.461,445 2.713,446 1,447 2.3,448 1.115,449 3.423,450 1.991,451 1,452 1.241,454 2.275,455 0.983,456 2,457 1.096,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.982,465 17.533,466 0.461,467 0.921,468 0.024,469 44.75,470 1.178,471 18,472 0.474,473 26.75,474 0.704,475 39.072,476 1.028,477 43.067,478 0.598,479 38.568,480 1.015,481 8.702,482 0.229,483 9.721,484 0.256,485 0.124,487 0.354,493 0.805,494 1.669,495 0.79,496 1.336,497 0.592,498 1.094,499 0.875,500 1.097,501 0.87,502 0.945,503 0.532,504 0.907,505 1.153,506 1.173,507 0.973,508 0.969,509 0.849,510 0.938,511 1.187,512 0.957,513 1.015,514 0.887,515 1.331,516 0.905,517 1.282,518 1.043,519 1.095,520 0.914,521 1.533,522 0.958,523 0.785,524 1.24,525 1.119,526 1.225,527 0.699,528 1.225,529 0.649,530 1.016,531 0.962,532 1.023,533 0.458,534 1.034,535 0.445,536 0.958,537 0.862,538 1.135,539 0.42,540 1.091,541 7.5,542 0.408,543 4.444,544 2.16,545 1.845,546 1.698,547 1.095,548 0.569,549 0.363,550 0.392,551 22263,552 59642,553 2.097,554 47.2,556 21,558 1,559 2,561 6,562 4,564 1.792,565 1.966,566 3.728,567 0.227,573 117.049,574 1.626,575 3.809,576 5.027,577 5.194,578 5.194,579 5.194,580 3.207,581 4.88,582 5.208,583 3.937,584 2767.59,585 9.207,586 45767.8,591 444.235,592 1.402,593 5.18,594 0.179,595 0.009,596 0.075,597 0.035,598 0.03,599 0.027,600 0.018,601 0.01,602 0.007,603 0.008,604 0.399,605 0.33,606 0.63,607 1.194,608 210.5,609 -0.02,610 -0.339,611 0.078,612 -0.17,613 -0.022,614 -0.049,615 0.153,616 0.061,617 0.089,618 0.073,619 0.152,620 0.065,621 -0.135,622 -0.108,623 0.002,624 0.028,625 -0.042,626 0.038,627 -0.131,628 0.097,629 -0.024,630 0.073,631 -0.114,632 0.049,633 -0.223,634 0.042,635 -0.122,636 0.091,637 -0.232,638 0.015,639 -0.047,640 -0.087,641 -0.202,642 -0.176,643 -0.08,644 -0.214,645 0.064,646 0.015,647 -0.014,648 -0.019,649 0.05,650 -0.025,651 0.224,652 0.043,653 0.074,654 -0.083,655 0.177,656 -0.045,657 1.947,658 5.354,659 0.711,660 53.186,661 1.008,662 1.142,663 2.669,664 7.126,665 0.636,666 3.761,667 4.094,668 4.382,669 4.673,670 4.949,671 5.13,672 5.38,673 5.587,674 5.756,675 5.93,676 8.167,677 0.609,678 522.68,679 3.761,680 5.313,681 6.172,682 7.059,683 7.94,684 8.837,685 9.731,686 10.636,687 11.539,688 12.449,689 11.1,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 72,733 18,734 1,735 42,737 76,738 26,739 11,740 2,741 4,746 5,747 6,751 1,752 2,755 3,758 4,761 13,762 13,766 2,771 2,775 2,781 34,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 3,848 38,854 8,855 2,856 2,858 2,859 2,870 5.6,873 2,874 1,875 1,877 19.333,878 13.7,879 8.361,880 4.534,881 3.157,882 1.366,883 0.968,884 8.314,885 11.787,886 3.97,887 4.53,888 5.104,889 5.714,890 6.279,891 6.737,892 7.266,893 7.748,894 8.115,895 8.544,896 0.9,897 62,898 14.109,900 6.001,901 7.737,902 27.061,904 22.267,905 2.237,906 85,910 376.675,911 121.601,912 94.281,914 72.29,917 121.601,918 448.965,919 94.281,920 26.047,921 61.822,922 37.905,923 125.01,924 35.791,925 13.366,926 364.904,928 376.675,929 215.881,930 72.29,933 261.292,934 179.001,935 11,937 92.012,938 71.307,939 50.234,941 376.675,942 166.57,943 121.601,946 376.675,947 48.601,948 81.024,949 36.022,950 122.524,951 376.675,952 166.57,953 121.601,955 0.58,956 0.334,957 0.179,958 0.1,959 28,960 13,961 0.079,962 6,963 1,964 1.074,965 4.728,966 382.336,967 0.074,968 27,969 185.421,974 26.663,975 11.848,976 6.059,977 1.669,978 164.794,979 9.301,980 14.673,984 2.938,985 1.983,986 36.022,987 664.846,988 52,993 24.018,997 -0.546,999 72.61,1000 82.222,1001 0.263,1002 0.617,1003 0.815,1004 0.842,1005 0.842,1006 0.842,1007 5.231,1008 2.038,1009 6.159,1010 5.342,1011 4.779,1012 5.218,1013 2.857,1014 6.982,1015 4.668,1016 6.415,1017 1.763,1018 7.724,1019 5.324,1020 4.369,1021 5.056,1022 2.2,1023 7.908,1024 4.217,1025 7.717,1026 1.488,1027 9.388,1028 4.835,1029 6.382,1030 7.378,1031 3.824,1032 11.024,1033 6.162,1034 9.054,1035 1.358,1036 11.112,1037 4.25,1038 6.792,1039 8.092,1040 3.876,1041 12.798,1042 6.529,1043 10.428,1044 1.18,1045 12.875,1046 3.417,1047 8.272,1048 9.914,1049 5.122,1050 15.439,1051 7.948,1052 11.827,1053 1.032,1054 14.667,1055 2.915,1056 9.062,1057 11.046,1058 5.498,1059 17.574,1060 8.691,1061 13.247,1062 1,1063 16.479,1064 2.713,1065 10.33,1066 12.679,1067 6.553,1068 20.061,1069 9.905,1070 3.289,1071 1,1072 18.307,1073 2.275,1074 11.307,1075 14.016,1076 7.101,1077 22.357,1078 10.831,1079 2.895,1080 11.617,1081 20.148,1082 2.275,1083 12.492,1084 15.577,1085 8.048,1086 24.798,1087 11.965,1088 2.79,1089 9.602,1090 21.999,1091 4.638,1092 13.561,1093 17.014,1094 8.696,1095 27.169,1096 12.981,1097 2.727,1098 8.93,1099 23.859,1100 3.796,1101 14.72,1102 18.55,1103 9.58,1104 29.602,1105 14.089,1106 2.524,1107 8.62,1108 25.726,1109 3.37,1110 15.835,1111 20.035,1112 10.287,1113 32.009,1114 15.152,1115 2.295,1116 7.326,1117 27.6,1118 3.163,1119 16.99,1120 21.563,1121 11.134,1122 34.444,1123 16.256,1124 2.09,1125 7.1,1126 29.48,1127 3.117,1128 18.131,1129 23.072,1130 11.875,1131 36.871,1132 17.344,1133 21324,1134 35045,1135 28.145,1136 45.762,1137 63.521,1138 65.551,1139 65.259,1140 63.048,1141 63.081,1142 77.417,1143 13.112,1144 182.304,1145 59.653,1146 5.693,1147 5.784,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 19.839,1156 1.512,1157 1.561,1158 1.554,1159 1.501,1160 1.502,1161 1.843,1162 0.312,1163 4.341,1164 1.42,1165 4.141,1166 4.192,1167 4.116,1168 3.982,1169 7.434,1170 4.008,1171 3.902,1172 3.942,1173 3.845,1174 3.805,1175 7.43,1176 3.811,1177 3.824,1178 3.876,1179 3.736,1180 3.647,1181 5.135,1182 3.657,1183 3.726,1184 3.782,1185 3.617,1186 3.495,1187 4.752,1188 3.514,1189 3.611,1190 3.669,1191 3.485,1192 3.428,1193 4.624,1194 3.424,1195 3.547,1196 3.615,1197 3.447,1198 3.254,1199 4.524,1200 3.298,1201 3.293,1202 3.355,1203 3.217,1204 3.036,1205 4.476,1206 3.073,1207 3.164,1208 3.217,1209 3.071,1210 2.941,1211 4.207,1212 2.968,1213 0.112,1214 0.09,1215 0.164,1216 0.101,1217 0.078,1218 4.693,1219 0.11,1220 3.784,1221 0.053,1222 6.903,1223 0.277,1224 4.237,1225 0.074,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.05,1234 2.103,1235 1.409,1236 2.085,1237 1.848,1238 1.798,1239 2.013,1240 2.025,1241 1.219,1242 2.022,1243 1.777,1244 1.729,1245 1.933,1246 1.964,1247 1.105,1248 1.958,1249 1.608,1250 1.553,1251 1.886,1252 1.843,1253 1.053,1254 1.849,1255 1.58,1256 1.528,1257 1.727,1258 1.799,1259 0.881,1260 1.784,1261 1.424,1262 1.349,1263 1.688,1264 1.717,1265 0.825,1266 1.71,1267 1.287,1268 1.214,1269 1.513,1270 1.599,1271 0.825,1272 1.554,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.688,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.294,1284 4.727,1285 8.904,1286 6.862,1287 10.565,1289 5.288,1295 5.479,1296 5.315,1297 10.939,1299 -0.035,1300 3.977,1305 43.879,1306 117.049,1307 274.243,1308 361.97,1309 373.97,1310 373.97,1311 373.97,1312 71.249,1313 8.63,1314 126.74,1315 126.74,1316 29,1317 12.966,1318 4.248,1319 3.459,1320 58.879,1321 178,1322 218,1323 0.156,1324 267.197,1325 463.26,1326 643.721,1327 69080,1329 26.648,1330 0.701,1331 0.579,1332 26.648,1333 22.015,1334 18.423,1335 0.439,1336 0.311,1337 12.789,1338 17.388,1339 12.496,1340 10.307,1341 18.423,1342 13.053,1343 16.674,1344 0.283,1345 0.165,1346 16.674,1347 9.729,1348 13.949,1349 0.177,1350 0.086,1351 13.949,1352 6.777,1353 11.766,1354 0.111,1355 0.045,1356 11.766,1357 4.789,1358 9.617,1359 0.069,1360 0.025,1361 9.617,1362 3.433,1363 0.246,1364 117.433,1365 0.188,1366 34.376,1367 0.43,1368 202,1369 625.479,1370 231.025,1371 586.616,1372 805.14,1373 552,1374 239,1375 600.369,1376 268.034,1377 595.791,1378 880.94,1379 561,1380 6.724}
{0 CHEMBL1095933,1 1.609,2 14.256,3 2.031,4 4.123,5 145.505,6 7.156,7 0.372,8 4.422,9 4.554,10 3.956,11 3.854,12 5.468,13 3.852,14 5.012,15 5.21,16 4.352,17 4.261,18 6.066,19 4.242,20 5.269,21 5.483,22 4.393,23 4.435,24 6.248,25 4.384,26 5.368,27 5.623,28 4.413,29 4.451,30 6.379,31 4.39,32 5.271,33 5.486,34 4.389,35 4.451,36 6.325,37 4.403,38 5.265,39 5.473,40 4.385,41 4.52,42 6.217,43 4.437,44 5.407,45 5.672,46 4.322,47 4.527,48 6.269,49 4.409,50 5.342,51 5.607,52 4.273,53 4.463,54 6.233,55 4.336,56 0.089,57 1.158,58 16.752,59 6.153,60 10.983,61 8.957,62 0.739,63 1.807,64 33.707,65 10.017,66 54.014,67 15.248,68 0.74,69 2.179,70 44.573,71 12.605,72 61.828,73 19.504,74 0.912,75 2.264,76 50.987,77 13.681,78 91.124,79 21.639,80 0.893,81 2.186,82 45.109,83 12.371,84 100.494,85 18.975,86 0.601,87 2.337,88 42.553,89 13.879,90 51.393,91 21.201,92 0.836,93 2.368,94 52.113,95 15.705,96 70.462,97 25.076,98 0.742,99 2.171,100 48.749,101 16.495,102 77.747,103 24.918,104 49,105 62,106 0.248,107 0.58,108 0.76,109 0.785,110 0.785,111 0.785,112 3.693,113 0.933,114 -4.1,115 -4.05,116 -3.83,119 36,120 3,121 2,124 1,125 6,127 1,130 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 14,178 2,179 1,180 2,183 8,186 2,187 6,192 2,195 2,198 6,199 20,204 3,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 10,236 5,237 3,245 4,249 6,250 8,253 4,255 1,258 4,263 9,266 1,275 3423,276 26.057,277 26.057,278 26.057,279 26.057,280 26.057,281 24.039,282 36.961,283 15.136,284 26.87,285 21.194,286 21.194,287 21.194,288 21.194,289 21.194,290 17.873,291 50.295,292 7.161,293 22.445,294 4.62,295 2.47,296 1.307,297 1.147,298 1.147,299 1.147,300 4.395,306 1190,307 4.472,310 95.908,311 481.554,314 172.713,318 2.264,319 41.213,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 86,331 556,332 4.693,333 3.848,334 6.903,335 4.238,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.202,342 3.54,343 6.484,344 4.088,345 3.153,346 3.796,347 1.656,348 10.252,349 2.937,350 4.18,351 3.379,352 6.329,353 3.826,354 2.87,355 3.371,356 0.86,357 9.597,358 2.759,359 3.995,360 3.235,361 6.107,362 3.734,363 2.773,364 3.275,365 0.8,366 8.93,367 2.651,368 3.816,369 3.025,370 5.931,371 3.578,372 2.645,373 3.16,374 0.655,375 8.311,376 2.455,377 3.787,378 2.821,379 5.56,380 3.484,381 2.523,382 2.867,383 0.247,384 7.325,385 2.415,386 3.46,387 2.542,388 5.464,389 3.205,390 2.248,391 2.689,392 0.13,393 7.078,394 2.139,395 3.391,396 2.392,397 4.793,398 3.029,399 2.043,400 2.487,402 5.327,403 2,404 2.987,405 2.291,406 4.774,407 2.707,408 1.78,409 2.165,411 4.926,412 1.645,413 2.955,414 2.069,415 4.413,416 2.44,417 1.489,418 2.038,420 4.252,421 1.412,422 2.671,423 1.535,424 4.229,425 2.335,426 1.399,427 1.687,428 3.679,429 1.293,430 2.5,431 1.528,432 3.962,433 2.093,434 1.195,435 1.5,436 2.965,437 1.063,438 2.487,439 1.256,440 3.759,441 2.002,442 1.047,443 1.472,445 2.835,446 1,447 2.31,448 1.115,449 3.424,450 2,451 1,452 1.264,454 2.275,455 0.993,456 2,457 1.096,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 18.033,466 0.462,467 1.13,468 0.029,469 45.25,470 1.16,471 18,472 0.462,473 27.25,474 0.699,475 42.284,476 1.084,477 44.367,478 0.592,479 39.354,480 1.009,481 8.677,482 0.222,483 10.037,484 0.257,485 0.148,486 0.028,487 0.316,493 0.802,494 1.665,495 0.805,496 1.341,497 0.608,498 1.106,499 0.85,500 1.086,501 0.828,502 0.932,503 0.507,504 0.878,505 1.257,506 1.231,507 1.078,508 1.058,509 0.904,510 1.039,511 1.088,512 0.918,513 0.915,514 0.84,515 1.212,516 0.837,517 1.432,518 1.004,519 1.133,520 0.863,521 1.779,522 0.929,523 0.79,524 1.287,525 1.158,526 1.282,527 0.709,528 1.278,529 0.622,530 1.014,531 0.954,532 1.032,533 0.444,534 1.04,535 0.424,536 0.947,537 0.824,538 1.098,539 0.404,540 1.049,541 9,542 0.461,543 4.667,544 2.41,545 2.005,546 1.809,547 1.117,548 0.629,549 0.412,550 0.447,551 23878,552 62285,553 2.073,554 48,556 20,558 1,559 2,561 9,562 4,564 1.797,565 1.926,566 3.736,567 0.213,573 120.662,574 1.609,575 3.759,576 4.922,577 5.082,578 5.082,579 5.082,580 3.214,581 4.856,582 5.246,583 3.97,584 2941.56,585 9.281,586 49725.7,591 467.161,592 1.568,593 5.205,594 0.209,595 0.01,596 0.075,597 0.038,598 0.031,599 0.028,600 0.018,601 0.011,602 0.008,603 0.009,604 0.438,605 0.33,606 0.63,607 1.21,608 217.976,609 -0.014,610 -0.329,611 0.078,612 -0.164,613 -0.032,614 -0.047,615 0.179,616 0.076,617 0.138,618 0.095,619 0.18,620 0.104,621 -0.174,622 -0.146,623 -0.098,624 -0.047,625 -0.083,626 -0.061,627 -0.068,628 0.09,629 0.084,630 0.111,631 -0.05,632 0.124,633 -0.267,634 0.086,635 -0.141,636 0.129,637 -0.278,638 0.033,639 -0.053,640 -0.108,641 -0.241,642 -0.214,643 -0.089,644 -0.258,645 0.075,646 0.002,647 -0.006,648 -0.028,649 0.055,650 -0.027,651 0.236,652 0.032,653 0.116,654 -0.057,655 0.187,656 -0.006,657 1.948,658 5.559,659 0.692,660 55.677,661 1.007,662 1.142,663 2.871,664 8.241,665 0.634,666 3.784,667 4.143,668 4.394,669 4.691,670 4.963,671 5.142,672 5.389,673 5.602,674 5.775,675 5.945,676 8.359,677 0.605,678 536.71,679 3.784,680 5.352,681 6.205,682 7.102,683 7.977,684 8.882,685 9.769,686 10.679,687 11.576,688 12.49,689 10.7,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 75,733 18,734 1,735 43,737 79,738 27,739 11,740 2,741 4,746 5,747 6,751 1,752 3,755 3,758 3,761 13,762 14,763 1,766 2,771 2,775 2,781 36,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 4,848 39,854 8,855 2,856 2,858 1,859 2,860 1,870 5.3,873 2,874 1,875 1,877 20.25,878 14.617,879 8.403,880 4.604,881 3.151,882 1.363,883 0.957,884 8.262,885 11.838,886 3.989,887 4.562,888 5.11,889 5.724,890 6.283,891 6.739,892 7.268,893 7.749,894 8.117,895 8.546,896 0.9,897 63,898 14.49,900 6.181,901 7.729,902 27.796,904 22.955,905 2.229,906 86.917,910 400.217,911 130.426,912 94.281,914 72.29,917 130.426,918 472.507,919 94.281,920 34.872,921 61.822,922 37.905,923 125.01,924 35.791,925 13.366,926 388.446,928 400.217,929 224.707,930 72.29,933 249.521,934 214.314,935 11,937 100.837,938 71.307,939 50.234,941 400.217,942 166.57,943 130.426,946 400.217,947 48.601,948 89.85,949 36.022,950 122.524,951 400.217,952 166.57,953 130.426,955 0.589,956 0.327,957 0.175,958 0.097,959 30,960 14,961 0.076,962 6,963 1,964 1.074,965 4.767,966 396.503,967 0.074,968 27,969 189.376,974 27.625,975 11.663,976 6.455,977 1.665,978 164.794,979 9.304,980 14.7,984 2.933,985 1.985,986 36.022,987 697.214,988 53,993 24.237,997 -0.559,999 75.494,1000 85.637,1001 0.258,1002 0.603,1003 0.79,1004 0.816,1005 0.816,1006 0.816,1007 5.268,1008 2.043,1009 6.225,1010 7.078,1011 4.828,1012 5.25,1013 2.857,1014 7.071,1015 4.719,1016 6.474,1017 1.78,1018 7.808,1019 5.327,1020 4.575,1021 5.165,1022 2.2,1023 8.148,1024 4.424,1025 7.794,1026 1.489,1027 9.493,1028 4.926,1029 6.494,1030 7.42,1031 3.824,1032 11.18,1033 6.274,1034 9.146,1035 1.399,1036 11.237,1037 4.252,1038 7.022,1039 8.16,1040 3.876,1041 13.033,1042 6.754,1043 10.531,1044 1.195,1045 13.019,1046 3.679,1047 8.452,1048 9.952,1049 5.122,1050 15.634,1051 8.122,1052 11.938,1053 1.047,1054 14.825,1055 2.965,1056 9.317,1057 11.086,1058 5.498,1059 17.797,1060 8.933,1061 13.362,1062 1,1063 16.65,1064 2.835,1065 10.566,1066 12.704,1067 6.553,1068 20.262,1069 10.123,1070 3.289,1071 1,1072 18.487,1073 2.275,1074 11.585,1075 14.039,1076 7.101,1077 22.561,1078 11.084,1079 3.153,1080 11.617,1081 20.335,1082 2.275,1083 12.766,1084 15.592,1085 8.048,1086 24.986,1087 12.209,1088 2.87,1089 10.252,1090 22.19,1091 4.638,1092 13.857,1093 17.026,1094 8.696,1095 27.349,1096 13.241,1097 2.773,1098 9.597,1099 24.053,1100 3.796,1101 15.016,1102 18.558,1103 9.58,1104 29.767,1105 14.344,1106 2.645,1107 8.93,1108 25.922,1109 3.371,1110 16.143,1111 20.042,1112 10.287,1113 32.163,1114 15.411,1115 2.523,1116 8.311,1117 27.796,1118 3.275,1119 17.298,1120 21.568,1121 11.134,1122 34.584,1123 16.51,1124 2.248,1125 7.325,1126 29.675,1127 3.16,1128 18.443,1129 23.076,1130 11.875,1131 36.998,1132 17.597,1133 22918,1134 37182,1135 28.433,1136 47.523,1137 65.667,1138 67.779,1139 66.531,1140 65,1141 65.051,1142 79.384,1143 13.112,1144 192.527,1145 61.599,1146 5.693,1147 5.848,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 21.979,1156 1.527,1157 1.576,1158 1.547,1159 1.512,1160 1.513,1161 1.846,1162 0.305,1163 4.477,1164 1.433,1165 4.141,1166 4.192,1167 4.117,1168 3.983,1169 7.434,1170 4.008,1171 3.902,1172 3.942,1173 3.845,1174 3.806,1175 7.43,1176 3.811,1177 3.832,1178 3.881,1179 3.747,1180 3.653,1181 5.135,1182 3.664,1183 3.742,1184 3.796,1185 3.629,1186 3.55,1187 4.752,1188 3.551,1189 3.667,1190 3.726,1191 3.532,1192 3.479,1193 4.624,1194 3.489,1195 3.548,1196 3.616,1197 3.467,1198 3.254,1199 4.568,1200 3.299,1201 3.3,1202 3.359,1203 3.234,1204 3.038,1205 4.481,1206 3.079,1207 3.168,1208 3.219,1209 3.084,1210 2.944,1211 4.208,1212 2.973,1213 0.109,1214 0.089,1215 0.161,1216 0.099,1217 0.076,1218 4.693,1219 0.108,1220 3.848,1221 0.051,1222 6.903,1223 0.27,1224 4.238,1225 0.073,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.05,1234 2.104,1235 1.409,1236 2.085,1237 1.849,1238 1.799,1239 2.014,1240 2.027,1241 1.219,1242 2.023,1243 1.778,1244 1.731,1245 1.943,1246 1.964,1247 1.118,1248 1.958,1249 1.689,1250 1.636,1251 1.932,1252 1.89,1253 1.105,1254 1.904,1255 1.584,1256 1.534,1257 1.727,1258 1.807,1259 0.881,1260 1.785,1261 1.424,1262 1.349,1263 1.688,1264 1.718,1265 0.825,1266 1.71,1267 1.289,1268 1.218,1269 1.513,1270 1.603,1271 0.825,1272 1.556,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.688,1278 1.429,1279 4.466,1281 5.814,1282 2.398,1283 7.347,1284 4.727,1285 8.961,1286 6.862,1287 10.621,1289 7.207,1295 5.435,1296 5.319,1297 11.133,1299 0.098,1300 3.983,1301 -0.522,1305 45.406,1306 120.662,1307 281.915,1308 369.122,1309 381.122,1310 381.122,1311 381.122,1312 77.225,1313 8.687,1314 126.74,1315 126.74,1316 29,1317 13.006,1318 4.248,1319 3.459,1320 61.282,1321 187,1322 228,1323 0.155,1324 276.789,1325 480.56,1326 667.126,1327 74402,1329 27.57,1330 0.707,1331 0.588,1332 27.57,1333 22.937,1334 18.714,1335 0.435,1336 0.311,1337 13.105,1338 17.686,1339 12.719,1340 10.527,1341 18.714,1342 13.367,1343 17.809,1344 0.287,1345 0.174,1346 17.809,1347 10.777,1348 14.04,1349 0.176,1350 0.085,1351 14.04,1352 6.834,1353 11.962,1354 0.111,1355 0.045,1356 11.962,1357 4.839,1358 9.714,1359 0.068,1360 0.024,1361 9.714,1362 3.47,1363 0.243,1364 119.122,1365 0.188,1366 35.122,1367 0.424,1368 210,1369 633.479,1370 239.69,1371 596.576,1372 818.56,1373 560,1374 247,1375 613.278,1376 276.367,1377 611.192,1378 900.07,1379 573,1380 7.097}
{0 CHEMBL1095945,1 1.58,2 15.45,3 2.626,4 6.895,5 152.038,6 7.334,7 0.489,8 4.42,9 4.548,10 3.985,11 3.895,12 5.473,13 3.89,14 4.989,15 5.174,16 4.329,17 4.297,18 5.994,19 4.27,20 5.234,21 5.457,22 4.389,23 4.459,24 6.185,25 4.393,26 5.31,27 5.566,28 4.377,29 4.487,30 6.213,31 4.401,32 5.287,33 5.522,34 4.396,35 4.502,36 6.237,37 4.428,38 5.292,39 5.519,40 4.396,41 4.514,42 6.208,43 4.438,44 5.292,45 5.527,46 4.329,47 4.501,48 6.179,49 4.407,50 5.29,51 5.535,52 4.258,53 4.498,54 6.159,55 4.37,56 0.117,57 1.169,58 15.929,59 6.247,60 11.989,61 8.664,62 0.549,63 1.865,64 31.521,65 10.148,66 40.106,67 14.516,68 0.687,69 2.266,70 41.772,71 12.881,72 57.883,73 19.514,74 0.612,75 2.38,76 46.21,77 14.435,78 54.935,79 22.085,80 0.569,81 2.334,82 44.469,83 14.157,84 65.943,85 21.222,86 0.549,87 2.386,88 44.041,89 14.073,90 51.837,91 20.983,92 0.646,93 2.34,94 44.52,95 14.101,96 53.431,97 21.324,98 0.555,99 2.283,100 44.425,101 16.308,102 59.495,103 23.854,104 9,105 62,106 0.243,107 0.589,108 0.759,109 0.818,110 0.824,111 0.824,112 3.718,113 0.915,114 -5.06,115 -4.96,116 -4.65,119 39.2,121 2,124 1,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,168 1,172 10,174 3,175 12,178 2,179 1,180 2,183 11,186 3,187 8,190 1,192 2,195 5,198 6,199 12,204 3,207 5,211 2,212 11,217 2,220 6,223 1,224 15,227 2,229 1,232 8,236 3,237 7,245 6,249 4,250 8,253 4,255 1,258 5,262 2,263 11,266 1,271 2,275 3748,276 27.886,277 27.886,278 27.886,279 27.886,280 27.886,281 25.246,282 35.285,283 16.811,284 28.568,285 22.266,286 22.266,287 22.266,288 22.266,289 22.266,290 18.191,291 48.646,292 8.001,293 23.369,294 4.63,295 2.376,296 1.271,297 0.885,298 0.848,299 0.848,300 4.437,306 1362,307 3.536,310 97.313,311 633.089,314 175.162,318 2.44,319 31.443,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 87,331 618,332 4.693,333 4.015,334 6.903,335 4.237,336 3.288,337 4.638,338 2.2,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 1.343,348 9.594,349 2.759,350 4,351 3.246,352 6.107,353 3.732,354 2.772,355 3.457,356 0.916,357 8.93,358 2.653,359 3.929,360 3.076,361 5.637,362 3.606,363 2.649,364 3.367,365 0.86,366 7.742,367 2.546,368 3.819,369 2.948,370 5.517,371 3.494,372 2.532,373 3.161,374 0.8,375 7.35,376 2.427,377 3.526,378 2.814,379 5.469,380 3.317,381 2.353,382 2.704,383 0.172,384 7.106,385 2.25,386 3.466,387 2.536,388 5.044,389 3.079,390 2.119,391 2.605,392 0.135,393 6.052,394 2.039,395 3.256,396 2.41,397 4.821,398 3.027,399 2.061,400 2.346,402 5.493,403 1.966,404 2.968,405 2.342,406 4.744,407 2.654,408 1.734,409 2.168,411 4.82,412 1.593,413 2.934,414 2.12,415 4.417,416 2.447,417 1.497,418 2.042,420 4.272,421 1.418,422 2.816,423 1.58,424 4.083,425 2.415,426 1.427,427 1.906,428 3.225,429 1.405,430 2.53,431 1.535,432 3.76,433 2.152,434 1.252,435 1.541,436 2.992,437 1.12,438 2.5,439 1.486,440 3.587,441 2.05,442 1.105,443 1.5,445 2.882,446 1.038,447 2.5,448 1.256,449 3.425,450 2,451 1.009,452 1.5,454 2.275,455 1,456 2.387,457 1.118,458 3.414,459 2,460 1,461 1.376,463 2.275,464 1,465 18.7,466 0.468,467 0.756,468 0.019,469 50.25,470 1.256,471 22.5,472 0.563,473 27.75,474 0.694,475 38.181,476 0.955,477 43.7,478 0.591,479 42.068,480 1.052,481 10.053,482 0.251,483 9.621,484 0.241,485 0.045,487 0.305,493 0.772,494 1.473,495 0.779,496 1.194,497 0.598,498 1.016,499 1.142,500 1.107,501 0.964,502 0.942,503 0.708,504 0.928,505 0.925,506 1.157,507 1.008,508 0.999,509 0.799,510 1.006,511 0.735,512 0.975,513 0.905,514 0.939,515 0.686,516 0.935,517 0.941,518 1.063,519 0.966,520 0.971,521 1.227,522 0.964,523 0.969,524 1.112,525 1.069,526 1.072,527 0.851,528 1.073,529 0.894,530 1.073,531 1.111,532 1.064,533 0.68,534 1.1,535 0.479,536 1.013,537 0.998,538 1.19,539 0.481,540 1.183,541 6.5,542 0.305,543 3.778,544 1.972,545 1.796,546 1.448,547 1.052,548 0.556,549 0.358,550 0.327,551 27942,552 70643,553 2.182,554 45.9,556 27,558 1,559 2,562 4,564 1.803,565 2.105,566 3.842,567 0.174,573 116.889,574 1.58,575 3.833,576 4.939,577 5.324,578 5.361,579 5.361,580 3.321,581 4.922,582 5.281,583 4.047,584 3156.29,585 9.348,586 54907.6,591 459.5,592 1.141,593 5.28,594 0.144,595 0.006,596 0.061,597 0.031,598 0.029,599 0.022,600 0.016,601 0.009,602 0.007,603 0.006,604 0.332,605 0.17,606 0.63,607 0.881,608 226.182,609 0.072,610 -0.215,611 0.086,612 -0.101,613 0.036,614 -0.022,615 -0.03,616 0.037,617 -0.013,618 0.057,619 0.054,620 0.022,621 0.003,622 -0.08,623 -0.048,624 -0.016,625 0.051,626 -0.038,627 0.03,628 0.06,629 0.061,630 0.032,631 0.06,632 0.049,633 -0.069,634 -0.018,635 -0.006,636 0.023,637 -0.106,638 0.022,639 -0.103,640 -0.035,641 -0.118,642 -0.082,643 -0.096,644 -0.097,645 -0.062,646 -0.011,647 -0.158,648 -0.076,649 -0.077,650 -0.12,651 0.152,652 -0.005,653 -0.065,654 -0.153,655 0.114,656 -0.15,657 2.11,658 4.803,659 0.825,660 60.94,661 1.004,662 1.135,663 3.835,664 14.707,665 0.653,666 3.829,667 4.143,668 4.443,669 4.745,670 5.024,671 5.176,672 5.425,673 5.638,674 5.811,675 5.991,676 8.74,677 0.624,678 542.71,679 3.829,680 5.371,681 6.229,682 7.109,683 7.987,684 8.879,685 9.77,686 10.67,687 11.569,688 12.476,689 10.8,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 74,733 23,734 2,735 45,737 79,738 29,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 18,762 11,766 1,771 1,775 1,781 34,782 10,783 2,784 11,790 8,794 0.833,795 3,803 1,806 1,811 1,812 5,815 1,834 1,836 1,839 1,840 5,844 1,848 40,854 9,855 2,856 2,858 1,859 2,870 4.1,873 1,874 2,877 19,878 13.367,879 8.833,880 4.473,881 3.901,882 1.434,883 0.998,884 8.324,885 12.887,886 4.06,887 4.627,888 5.217,889 5.834,890 6.4,891 6.787,892 7.301,893 7.777,894 8.141,895 8.567,896 0.909,897 64,898 14.793,900 6.279,901 7.604,902 28.755,904 23.899,905 2.104,906 84.167,910 376.675,911 152.347,912 96.895,914 47.364,917 152.347,918 424.039,919 96.895,920 10.883,921 63.418,922 85.286,923 111.084,924 31.101,925 6.604,926 364.904,928 376.675,929 249.242,930 47.364,933 331.919,934 72.229,935 22.219,937 79.082,938 117.598,939 50.234,941 376.675,942 144.259,943 152.347,946 376.675,947 47.13,948 113.242,949 38.636,950 97.598,951 376.675,952 144.259,953 152.347,955 0.571,956 0.332,957 0.186,958 0.103,959 30,960 12,961 0.089,962 7,963 1,964 1.061,965 5.051,966 411.597,967 0.061,968 33,969 192.877,974 26.814,975 12.418,976 6.196,977 1.821,978 142.482,979 20.038,980 14.905,984 4.362,985 2.106,986 38.636,987 673.281,988 57,993 11.803,997 -0.443,999 74.283,1000 84.012,1001 0.254,1002 0.617,1003 0.795,1004 0.857,1005 0.863,1006 0.863,1007 5.301,1008 2.061,1009 6.192,1010 6.052,1011 4.828,1012 5.316,1013 2.861,1014 6.997,1015 4.737,1016 6.474,1017 1.734,1018 7.737,1019 5.493,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.765,1026 1.497,1027 9.383,1028 4.82,1029 6.405,1030 7.478,1031 3.935,1032 11.003,1033 6.224,1034 9.093,1035 1.427,1036 11.093,1037 4.272,1038 6.735,1039 8.098,1040 2.728,1041 12.759,1042 6.505,1043 10.459,1044 1.252,1045 12.845,1046 3.225,1047 8.27,1048 9.997,1049 5.342,1050 15.404,1051 7.996,1052 11.851,1053 1.105,1054 14.628,1055 2.992,1056 9.014,1057 11.066,1058 4.366,1059 17.536,1060 8.687,1061 13.265,1062 1.009,1063 16.433,1064 2.882,1065 10.309,1066 12.738,1067 6.842,1068 20.027,1069 9.937,1070 3.288,1071 1,1072 18.256,1073 2.275,1074 11.262,1075 14.037,1076 6.083,1077 22.327,1078 10.833,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.46,1084 15.615,1085 8.369,1086 24.772,1087 11.984,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 7.796,1095 27.148,1096 12.985,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.683,1102 18.573,1103 9.906,1104 29.584,1105 14.1,1106 2.532,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 9.49,1113 31.995,1114 15.155,1115 2.353,1116 7.35,1117 27.545,1118 3.367,1119 16.953,1120 21.577,1121 11.448,1122 34.432,1123 16.261,1124 2.119,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 11.164,1131 36.861,1132 17.345,1133 25910,1134 41416,1135 31.205,1136 48.307,1137 67.292,1138 69.824,1139 68.092,1140 66.977,1141 66.916,1142 84.362,1143 12.853,1144 189.458,1145 63.856,1146 5.693,1147 6.015,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 4.295,1153 19.165,1154 5.12,1155 13.115,1156 1.495,1157 1.552,1158 1.513,1159 1.488,1160 1.487,1161 1.875,1162 0.286,1163 4.21,1164 1.419,1165 4.143,1166 4.195,1167 4.117,1168 3.987,1169 7.431,1170 4.011,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.895,1178 3.932,1179 3.841,1180 3.802,1181 4.767,1182 3.808,1183 3.782,1184 3.839,1185 3.675,1186 3.626,1187 4.752,1188 3.627,1189 3.694,1190 3.752,1191 3.578,1192 3.483,1193 4.697,1194 3.499,1195 3.525,1196 3.57,1197 3.466,1198 3.191,1199 4.623,1200 3.252,1201 3.29,1202 3.362,1203 3.213,1204 3.071,1205 4.479,1206 3.084,1207 3.193,1208 3.264,1209 3.048,1210 2.973,1211 4.253,1212 2.991,1213 0.104,1214 0.089,1215 0.153,1216 0.094,1217 0.073,1218 4.693,1219 0.103,1220 4.015,1221 0.049,1222 6.903,1223 0.258,1224 4.237,1225 0.069,1226 3.288,1227 4.638,1228 2.2,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.047,1241 1.22,1242 2.047,1243 1.828,1244 1.783,1245 1.987,1246 1.964,1247 1.14,1248 1.967,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.104,1254 1.954,1255 1.583,1256 1.534,1257 1.72,1258 1.8,1259 0.883,1260 1.776,1261 1.333,1262 1.284,1263 1.605,1264 1.696,1265 0.825,1266 1.656,1267 1.314,1268 1.235,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.153,1274 1.078,1275 1.513,1276 1.433,1277 0.729,1278 1.43,1279 4.511,1281 5.826,1282 2.398,1283 7.341,1284 4.727,1285 8.947,1286 6.862,1287 10.602,1289 1.39,1295 7.897,1296 4.975,1297 10.264,1299 0.274,1300 4.774,1305 46.164,1306 116.889,1307 283.643,1308 365.46,1309 393.99,1310 396.745,1311 396.745,1312 59.988,1313 8.986,1314 109.67,1315 109.67,1316 35,1317 12.995,1318 4.585,1319 3.7,1320 57.149,1321 200,1322 256,1323 0.133,1324 278.73,1325 477.83,1326 671.86,1327 113097,1329 27.313,1330 0.683,1331 0.566,1332 27.313,1333 22.623,1334 19.674,1335 0.437,1336 0.305,1337 13.469,1338 18.691,1339 13.228,1340 10.888,1341 19.674,1342 13.724,1343 17.293,1344 0.279,1345 0.163,1346 17.293,1347 10.127,1348 14.852,1349 0.177,1350 0.089,1351 14.852,1352 7.492,1353 12.878,1354 0.113,1355 0.048,1356 12.878,1357 5.439,1358 10.658,1359 0.071,1360 0.026,1361 10.658,1362 3.925,1363 0.211,1364 124.687,1365 0.179,1366 36.102,1367 0.361,1368 214,1369 615.743,1370 238.486,1371 586.068,1372 812.01,1373 554,1374 253,1375 607.874,1376 279.543,1377 609.989,1378 894.33,1379 573,1380 6.499}
{0 CHEMBL1095946,1 1.61,2 15.45,3 1.475,4 2.177,5 149.881,6 7.448,7 0.489,8 4.412,9 4.542,10 3.99,11 3.872,12 5.482,13 3.875,14 4.98,15 5.168,16 4.332,17 4.272,18 5.998,19 4.254,20 5.217,21 5.438,22 4.391,23 4.437,24 6.183,25 4.378,26 5.3,27 5.556,28 4.378,29 4.469,30 6.214,31 4.389,32 5.269,33 5.5,34 4.398,35 4.487,36 6.233,37 4.417,38 5.287,39 5.517,40 4.399,41 4.491,42 6.216,43 4.422,44 5.269,45 5.501,46 4.329,47 4.475,48 6.176,49 4.391,50 5.269,51 5.51,52 4.259,53 4.483,54 6.154,55 4.36,56 0.135,57 1.173,58 15.433,59 5.938,60 12.217,61 8.302,62 0.599,63 1.848,64 30.976,65 9.558,66 41.13,67 13.834,68 0.732,69 2.226,70 40.659,71 12.212,72 58.325,73 18.67,74 0.706,75 2.333,76 45.705,77 13.873,78 57.066,79 21.369,80 0.6,81 2.294,82 43.179,83 13.68,84 65.645,85 20.565,86 0.638,87 2.354,88 43.748,89 13.292,90 54.64,91 20.135,92 0.713,93 2.285,94 43.065,95 13.138,96 54.908,97 20.047,98 0.607,99 2.235,100 43.036,101 15.808,102 59.425,103 23.059,104 9,105 62,106 0.248,107 0.604,108 0.787,109 0.838,110 0.838,111 0.838,112 3.718,113 0.905,114 -4.15,115 -4.1,116 -3.87,119 38.4,121 2,124 1,125 7,127 1,142 6,143 3,144 1,145 3,147 1,149 1,159 1,161 1,166 1,168 1,172 6,174 3,175 14,178 2,179 1,180 2,183 6,186 3,187 8,190 1,192 2,195 2,198 7,199 11,204 3,207 5,211 2,212 10,217 2,220 4,223 1,224 17,227 2,229 1,232 6,236 3,237 6,245 4,249 5,250 6,253 4,255 1,258 5,262 3,263 8,266 1,271 1,275 3748,276 27.886,277 27.886,278 27.886,279 27.886,280 27.886,281 25.246,282 35.285,283 16.811,284 28.633,285 22.266,286 22.266,287 22.266,288 22.266,289 22.266,290 18.191,291 48.646,292 8.001,293 23.464,294 4.58,295 2.269,296 1.082,297 0.75,298 0.75,299 0.75,300 4.437,306 1362,307 3.536,310 97.313,311 633.089,314 175.162,318 2.44,319 32.724,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 87.5,331 618,332 4.693,333 4.015,334 6.903,335 4.237,336 3.288,337 4.638,338 2.2,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 1.343,348 9.594,349 2.759,350 4,351 3.246,352 6.107,353 3.732,354 2.772,355 3.457,356 0.916,357 8.93,358 2.65,359 3.929,360 3.076,361 5.637,362 3.601,363 2.649,364 3.367,365 0.86,366 7.742,367 2.531,368 3.819,369 2.948,370 5.517,371 3.494,372 2.532,373 3.161,374 0.8,375 7.35,376 2.427,377 3.526,378 2.814,379 5.469,380 3.313,381 2.353,382 2.704,383 0.172,384 7.106,385 2.244,386 3.466,387 2.536,388 5.044,389 3.077,390 2.119,391 2.605,392 0.135,393 6.052,394 2.038,395 3.256,396 2.41,397 4.821,398 3.024,399 2.061,400 2.346,402 5.493,403 1.958,404 2.968,405 2.342,406 4.744,407 2.651,408 1.734,409 2.168,411 4.82,412 1.587,413 2.934,414 2.12,415 4.417,416 2.447,417 1.497,418 2.042,420 4.272,421 1.418,422 2.816,423 1.58,424 4.083,425 2.384,426 1.427,427 1.906,428 3.225,429 1.362,430 2.53,431 1.535,432 3.76,433 2.151,434 1.252,435 1.541,436 2.992,437 1.119,438 2.5,439 1.486,440 3.587,441 2.049,442 1.105,443 1.5,445 2.882,446 1.038,447 2.5,448 1.256,449 3.425,450 2,451 1.009,452 1.5,454 2.275,455 1,456 2.387,457 1.118,458 3.414,459 1.984,460 1,461 1.376,463 2.275,464 0.983,465 18.6,466 0.465,467 0.756,468 0.019,469 50.75,470 1.269,471 22.5,472 0.563,473 28.25,474 0.706,475 37.858,476 0.946,477 43.8,478 0.6,479 42.39,480 1.06,481 10.134,482 0.253,483 9.541,484 0.239,485 0.045,487 0.306,493 0.781,494 1.535,495 0.763,496 1.224,497 0.591,498 1.023,499 1.161,500 1.111,501 0.958,502 0.923,503 0.721,504 0.909,505 0.932,506 1.177,507 1.009,508 1.013,509 0.802,510 1.015,511 0.741,512 0.921,513 0.905,514 0.913,515 0.697,516 0.92,517 0.92,518 1.104,519 0.968,520 1.017,521 1.216,522 0.997,523 0.999,524 1.096,525 1.07,526 1.047,527 0.877,528 1.054,529 0.939,530 1.061,531 1.135,532 1.056,533 0.719,534 1.103,535 0.474,536 0.992,537 1.011,538 1.217,539 0.487,540 1.213,541 6.5,542 0.305,543 3.778,544 1.972,545 1.796,546 1.448,547 1.052,548 0.556,549 0.358,550 0.327,551 27942,552 73609,553 2.182,554 45.2,556 24,558 3,559 2,562 4,564 1.803,565 2.105,566 3.842,567 0.199,573 117.502,574 1.61,575 3.921,576 5.107,577 5.44,578 5.44,579 5.44,580 3.321,581 4.922,582 5.281,583 4.047,584 3156.29,585 9.348,586 54907.6,591 451.857,592 1.141,593 5.28,594 0.144,595 0.006,596 0.061,597 0.031,598 0.029,599 0.022,600 0.016,601 0.009,602 0.007,603 0.006,604 0.332,605 0.33,606 0.63,607 0.881,608 226.182,609 0.056,610 -0.264,611 0.086,612 -0.125,613 0.044,614 -0.033,615 -0.059,616 0.033,617 -0.013,618 0.072,619 0.046,620 0.037,621 -0.013,622 -0.099,623 -0.057,624 -0.024,625 0.044,626 -0.044,627 0.026,628 0.108,629 0.06,630 0.06,631 0.051,632 0.067,633 -0.07,634 -0.059,635 -0.017,636 -0.007,637 -0.114,638 -0.002,639 -0.127,640 -0.023,641 -0.119,642 -0.062,643 -0.112,644 -0.081,645 -0.096,646 0.009,647 -0.187,648 -0.067,649 -0.104,650 -0.126,651 0.156,652 0.024,653 -0.085,654 -0.164,655 0.106,656 -0.172,657 2.113,658 4.8,659 0.825,660 60.94,661 1.007,662 1.138,663 2.923,664 8.541,665 0.651,666 3.829,667 4.143,668 4.443,669 4.745,670 5.024,671 5.176,672 5.425,673 5.638,674 5.811,675 5.991,676 8.74,677 0.625,678 543.7,679 3.829,680 5.371,681 6.229,682 7.109,683 7.987,684 8.879,685 9.77,686 10.67,687 11.569,688 12.476,689 12.3,692 1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 73,733 23,734 1,735 45,737 78,738 28,739 16,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 17,762 11,766 1,771 1,775 1,781 33,782 11,783 2,784 12,790 9,794 0.833,795 3,803 1,805 1,806 1,811 1,812 5,815 1,834 1,836 1,839 1,840 5,844 1,848 40,854 9,855 2,856 2,858 1,859 2,870 4.1,873 1,874 2,877 19,878 13.233,879 8.833,880 4.384,881 3.901,882 1.434,883 0.996,884 8.277,885 12.887,886 4.06,887 4.627,888 5.217,889 5.834,890 6.4,891 6.787,892 7.301,893 7.777,894 8.141,895 8.567,896 0.909,897 64,898 14.781,900 6.272,901 7.629,902 28.625,904 23.715,905 2.129,906 85.167,910 364.904,911 142.013,912 113.681,914 47.364,917 142.013,918 412.268,919 113.681,920 10.883,921 63.418,922 56.857,923 151.412,924 49.196,925 6.604,926 329.591,928 364.904,929 255.694,930 47.364,933 320.148,934 72.229,935 22.219,937 97.177,938 89.169,939 67.02,941 364.904,942 161.044,943 142.013,946 364.904,947 47.13,948 102.908,949 38.636,950 114.383,951 364.904,952 161.044,953 142.013,955 0.571,956 0.332,957 0.186,958 0.103,959 30,960 12,961 0.09,962 7,963 1,964 1.061,965 5.051,966 411.597,967 0.061,968 33,969 200.877,974 26.752,975 12.376,976 6.171,977 1.803,978 159.268,979 17.236,980 19.133,984 4.227,985 2.094,986 38.636,987 667.961,988 57,993 11.8,997 -0.446,999 73.501,1000 83.095,1001 0.26,1002 0.633,1003 0.825,1004 0.879,1005 0.879,1006 0.879,1007 5.301,1008 2.061,1009 6.192,1010 6.052,1011 4.828,1012 5.316,1013 2.861,1014 6.997,1015 4.73,1016 6.474,1017 1.734,1018 7.737,1019 5.493,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.765,1026 1.497,1027 9.383,1028 4.82,1029 6.405,1030 7.478,1031 3.935,1032 11.003,1033 6.214,1034 9.093,1035 1.427,1036 11.093,1037 4.272,1038 6.735,1039 8.098,1040 2.728,1041 12.759,1042 6.503,1043 10.459,1044 1.252,1045 12.845,1046 3.225,1047 8.27,1048 9.997,1049 5.342,1050 15.404,1051 7.986,1052 11.851,1053 1.105,1054 14.628,1055 2.992,1056 9.014,1057 11.066,1058 4.366,1059 17.536,1060 8.684,1061 13.265,1062 1.009,1063 16.433,1064 2.882,1065 10.309,1066 12.738,1067 6.842,1068 20.027,1069 9.928,1070 3.288,1071 1,1072 18.256,1073 2.275,1074 11.262,1075 14.037,1076 6.083,1077 22.327,1078 10.829,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.46,1084 15.615,1085 8.369,1086 24.772,1087 11.977,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 7.796,1095 27.148,1096 12.98,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.683,1102 18.573,1103 9.906,1104 29.584,1105 14.094,1106 2.532,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 9.49,1113 31.995,1114 15.15,1115 2.353,1116 7.35,1117 27.545,1118 3.367,1119 16.953,1120 21.577,1121 11.448,1122 34.432,1123 16.256,1124 2.119,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 11.164,1131 36.861,1132 17.341,1133 25910,1134 42238,1135 31.205,1136 47.552,1137 67.292,1138 69.824,1139 68.092,1140 66.957,1141 66.916,1142 84.362,1143 12.853,1144 189.458,1145 63.593,1146 5.693,1147 6.015,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 4.295,1153 19.165,1154 5.12,1155 13.115,1156 1.495,1157 1.552,1158 1.513,1159 1.488,1160 1.487,1161 1.875,1162 0.286,1163 4.21,1164 1.413,1165 4.142,1166 4.194,1167 4.117,1168 3.985,1169 7.431,1170 4.01,1171 3.915,1172 3.964,1173 3.847,1174 3.813,1175 5.136,1176 3.816,1177 3.89,1178 3.928,1179 3.832,1180 3.782,1181 4.896,1182 3.79,1183 3.776,1184 3.834,1185 3.672,1186 3.615,1187 4.763,1188 3.617,1189 3.689,1190 3.748,1191 3.576,1192 3.482,1193 4.698,1194 3.497,1195 3.525,1196 3.57,1197 3.465,1198 3.19,1199 4.623,1200 3.252,1201 3.286,1202 3.359,1203 3.211,1204 3.049,1205 4.48,1206 3.07,1207 3.189,1208 3.261,1209 3.043,1210 2.969,1211 4.264,1212 2.983,1213 0.104,1214 0.089,1215 0.153,1216 0.094,1217 0.073,1218 4.693,1219 0.103,1220 4.015,1221 0.049,1222 6.903,1223 0.258,1224 4.237,1225 0.069,1226 3.288,1227 4.638,1228 2.2,1229 11.616,1230 3.12,1231 1.957,1232 1.924,1233 2.068,1234 2.107,1235 1.425,1236 2.093,1237 1.892,1238 1.845,1239 2.023,1240 2.044,1241 1.22,1242 2.041,1243 1.81,1244 1.77,1245 1.942,1246 1.963,1247 1.106,1248 1.958,1249 1.761,1250 1.709,1251 1.929,1252 1.938,1253 1.071,1254 1.939,1255 1.582,1256 1.533,1257 1.719,1258 1.799,1259 0.878,1260 1.775,1261 1.333,1262 1.284,1263 1.605,1264 1.696,1265 0.825,1266 1.656,1267 1.303,1268 1.222,1269 1.513,1270 1.597,1271 0.825,1272 1.564,1273 1.153,1274 1.074,1275 1.513,1276 1.433,1277 0.679,1278 1.429,1279 4.511,1281 5.826,1282 2.398,1283 7.341,1284 4.727,1285 8.947,1286 6.862,1287 10.602,1289 1.388,1295 7.719,1296 4.969,1297 10.258,1299 0.258,1300 4.728,1305 45.659,1306 117.502,1307 286.201,1308 372.838,1309 397.102,1310 397.102,1311 397.102,1312 60.254,1313 8.986,1314 122.56,1315 122.56,1316 35,1317 12.995,1318 4.585,1319 3.7,1320 57.149,1321 200,1322 256,1323 0.133,1324 275.932,1325 471.53,1326 665.033,1327 113097,1329 27.313,1330 0.683,1331 0.562,1332 27.313,1333 22.493,1334 19.674,1335 0.437,1336 0.302,1337 13.302,1338 18.616,1339 13.074,1340 10.753,1341 19.674,1342 13.574,1343 17.293,1344 0.279,1345 0.161,1346 17.293,1347 10.003,1348 14.852,1349 0.177,1350 0.088,1351 14.852,1352 7.372,1353 12.878,1354 0.113,1355 0.047,1356 12.878,1357 5.347,1358 10.658,1359 0.071,1360 0.025,1361 10.658,1362 3.84,1363 0.211,1364 125.187,1365 0.179,1366 36.102,1367 0.361,1368 214,1369 635.388,1370 239.874,1371 603.308,1372 833.41,1373 570,1374 253,1375 621.987,1376 281.041,1377 623.628,1378 912.85,1379 585,1380 5.998}
{0 CHEMBL1097261,1 1.524,2 9.4,3 3.84,4 14.742,5 114.564,6 7.93,7 0.743,8 4.059,9 4.176,10 3.707,11 3.618,12 5.144,13 3.619,14 4.593,15 4.75,16 4.08,17 4.022,18 5.64,19 4.01,20 4.799,21 5.004,22 4.103,23 4.116,24 5.786,25 4.072,26 4.796,27 5.02,28 4.069,29 4.098,30 5.785,31 4.047,32 4.756,33 4.965,34 4.074,35 4.099,36 5.738,37 4.052,38 4.785,39 4.986,40 4.111,41 4.109,42 5.802,43 4.076,44 4.792,45 4.993,46 4.039,47 4.115,48 5.794,49 4.061,50 4.777,51 4.978,52 3.944,53 4.147,54 5.688,55 4.048,56 0.044,57 0.808,58 9.096,59 4.099,60 7.233,61 5.136,62 0.238,63 1.333,64 17.88,65 6.826,66 19.023,67 8.552,68 0.311,69 1.576,70 24.421,71 8.662,72 27.51,73 11.631,74 0.358,75 1.612,76 24.718,77 8.437,78 31.198,79 11.635,80 0.23,81 1.518,82 23.139,83 8.427,84 26.398,85 11.585,86 0.295,87 1.605,88 23.294,89 7.76,90 28.421,91 10.329,92 0.446,93 1.557,94 23.884,95 8.031,96 34.038,97 10.626,98 0.171,99 1.477,100 23.106,101 10.057,102 21.797,103 13.502,105 50,106 0.25,107 0.603,108 0.739,109 0.82,110 0.835,111 0.835,112 3.442,113 0.864,114 -5.16,115 -5.06,116 -4.73,119 46,125 4,142 9,143 3,144 1,145 1,147 1,149 1,151 1,152 1,161 1,166 1,172 9,174 3,175 9,180 3,183 9,186 2,187 8,192 2,195 6,198 5,199 11,204 1,207 4,211 1,212 11,220 4,224 11,227 2,232 5,236 3,237 9,245 7,250 5,253 2,255 1,258 9,263 4,266 1,271 8,275 1348,276 21.223,277 21.223,278 21.223,279 21.223,280 21.223,281 18.363,282 16.779,283 12.601,284 21.743,285 17.356,286 17.356,287 17.356,288 17.356,289 17.356,290 13.007,291 19.862,292 6.032,293 18.211,294 4.12,295 1.972,296 1.146,297 0.655,298 0.56,299 0.56,300 4.17,304 1,305 1,306 647,307 2.236,310 124.145,311 295.857,314 215.056,318 1.293,319 18.112,322 1,323 0.83,324 1,325 0.6,326 0.5,327 1,328 1,329 0.85,330 64,331 282,332 4.708,333 3.379,334 6.903,335 4.239,336 3.289,337 4.664,338 0.86,339 11.617,340 3.123,341 4.442,342 3.027,343 6.335,344 3.957,345 2.975,346 4.374,347 0.8,348 9.646,349 2.921,350 4.128,351 2.979,352 6.264,353 3.752,354 2.812,355 3.69,357 9.444,358 2.648,359 3.918,360 2.641,361 5.973,362 3.537,363 2.578,364 3.419,366 8.476,367 2.474,368 3.65,369 2.443,370 5.572,371 3.276,372 2.314,373 3.029,375 7.143,376 2.214,377 3.144,378 2.191,379 4.793,380 2.788,381 1.845,382 2.337,384 4.963,385 1.739,386 3.05,387 1.731,388 4.507,389 2.528,390 1.555,391 2.3,393 4.509,394 1.52,395 3.033,396 1.551,397 4.326,398 2.494,399 1.533,400 2.286,402 4.11,403 1.461,404 2.858,405 1.533,406 4.161,407 2.451,408 1.507,409 1.971,411 3.57,412 1.413,413 2.606,414 1.388,415 3.768,416 2.118,417 1.216,418 1.655,420 2.929,421 1.091,422 2.5,423 1.256,424 3.5,425 2.044,426 1.092,427 1.5,428 2.582,429 1.033,430 2.5,431 1.109,432 3.446,433 2,434 1,435 1.5,436 2.377,437 1,438 2.399,439 1,440 3.396,441 1.963,442 1,443 1.382,445 2.136,446 0.96,447 2.028,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.724,458 3.247,459 1.59,460 0.654,461 0.884,463 1.791,464 0.61,465 14.233,466 0.474,467 0.565,468 0.019,469 43.5,470 1.45,471 22.5,472 0.75,473 21,474 0.7,475 22.138,476 0.738,477 30.167,478 0.603,479 31.979,480 1.066,481 8.622,482 0.287,483 6.244,484 0.208,487 0.337,493 0.86,494 1.287,495 0.697,496 1.021,497 0.794,498 0.868,499 1.296,500 1.117,501 0.904,502 0.922,503 1.062,504 0.877,505 1.123,506 1.163,507 0.938,508 0.947,509 0.889,510 0.924,511 0.902,512 0.941,513 0.947,514 0.87,515 1.09,516 0.893,517 0.868,518 1.14,519 0.866,520 0.947,521 1.009,522 0.903,523 1.253,524 1.096,525 1.051,526 0.944,527 1.178,528 0.946,529 1.265,530 0.914,531 1.184,532 0.912,533 1.314,534 0.999,535 0.649,536 1.023,537 1.062,538 1.221,539 0.771,540 1.208,541 4,542 0.076,543 3.333,544 1.479,545 1.36,546 1.125,547 0.735,548 0.349,549 0.251,550 0.151,551 11993,552 28686,553 2.289,554 40,556 17,557 1,558 1,559 1,564 1.737,565 2.25,566 3.227,567 -0.349,569 1,573 76.203,574 1.524,575 3.672,576 4.498,577 4.989,578 5.084,579 5.084,580 2.536,581 4.348,582 4.877,583 3.386,584 1472.91,585 8.557,586 19757.6,588 1,590 1,591 282.193,592 0.918,593 4.879,594 0.114,595 0.004,596 0.067,597 0.03,598 0.028,599 0.023,600 0.015,601 0.008,602 0.006,603 0.004,604 0.298,605 0.33,606 0.88,608 150.47,609 0.033,610 -0.171,611 0.087,612 -0.077,613 -0.004,614 -0.005,615 -0.082,616 -0.029,617 -0.022,618 0.006,619 -0.073,620 -0.006,621 -0.047,622 -0.131,623 0.016,625 0.09,626 0.008,627 0.025,628 0.128,629 0.012,630 0.055,631 -0.028,632 0.036,633 0.002,634 -0.106,635 0.072,636 0.009,637 -0.001,638 0.046,639 -0.167,640 0.004,641 -0.118,642 -0.042,643 -0.107,644 -0.061,645 -0.109,646 0.161,647 -0.243,648 0.008,649 -0.216,650 -0.102,651 0.035,652 -0.067,653 -0.152,654 -0.2,655 -0.042,656 -0.202,657 0.968,658 2.053,659 1,660 26.938,661 1.002,662 1.122,663 3.935,664 15.481,665 0.696,666 3.584,667 3.932,668 4.29,669 4.625,670 4.898,671 5.075,672 5.328,673 5.541,674 5.694,675 5.869,676 5.979,677 0.671,678 396.49,679 3.584,680 5.142,681 6.028,682 6.929,683 7.832,684 8.742,685 9.654,686 10.57,687 11.487,688 12.406,689 12,695 1,697 2,699 3,703 4,704 11,705 3,706 1,709 4,710 1,711 26,726 1,731 50,733 26,734 2,735 35,737 55,738 23,739 19,740 4,741 8,746 6,747 8,761 19,762 4,778 1,781 20,782 5,783 1,784 7,790 6,794 0.667,795 1,803 1,806 1,807 1,811 2,812 4,815 2,839 1,840 4,848 30,854 4,856 1,859 1,870 2,874 1,877 13.333,878 9.083,879 6.444,880 3.052,881 4.695,882 1.56,883 1.081,884 4.256,885 13.08,886 3.892,887 4.564,888 5.273,889 5.962,890 6.553,891 7.036,892 7.612,893 8.154,894 8.579,895 9.105,896 0.714,897 50,898 11.06,900 4.819,901 7.511,902 21.554,904 18.328,905 2.011,906 60.333,908 1,909 1,910 223.651,911 136.381,912 71.92,914 11,917 136.381,918 234.651,919 71.92,921 13.396,922 94.334,923 74.72,924 44.15,925 16.243,926 200.109,928 223.651,929 208.301,930 11,933 225.979,935 11,937 42.721,938 113.018,939 50.234,941 223.651,942 82.92,943 136.381,946 223.651,947 33,948 108.282,949 16.786,950 61.234,951 223.651,952 82.92,953 136.381,955 0.581,956 0.351,957 0.203,958 0.111,959 28,960 10,961 0.055,962 3,963 2,964 1.133,965 4.182,966 298.674,967 0.133,968 30,969 139.207,974 17.634,975 7.241,976 3.09,977 3.998,978 64.358,979 22.223,980 14.587,981 3.24,984 3.574,985 1.888,986 16.786,987 442.952,988 48,999 50.123,1000 56.106,1001 0.27,1002 0.651,1003 0.797,1004 0.884,1005 0.901,1006 0.901,1007 5.127,1008 1.533,1009 6.004,1010 4.509,1011 4.615,1012 5.252,1013 1.235,1014 6.853,1015 4.525,1016 6.343,1017 1.507,1018 7.575,1019 4.11,1020 4.111,1021 5.047,1022 0.325,1023 7.803,1024 3.982,1025 7.663,1026 1.216,1027 9.251,1028 3.57,1029 6.232,1030 7.561,1031 0.938,1032 10.964,1033 6.058,1034 9.026,1035 1.092,1036 10.992,1037 2.929,1038 6.635,1039 8.287,1040 0.268,1041 12.781,1042 6.418,1043 10.427,1044 1,1045 12.775,1046 2.582,1047 8.161,1048 10.201,1049 0.732,1050 15.435,1051 7.903,1052 11.855,1053 1,1054 14.586,1055 2.377,1056 8.972,1057 11.353,1058 0.188,1059 17.593,1060 8.668,1061 13.304,1062 1,1063 16.416,1064 2.136,1065 10.264,1066 13.027,1067 0.57,1068 20.085,1069 9.919,1070 3.289,1071 0.654,1072 18.261,1073 2.136,1074 11.263,1075 14.376,1076 0.125,1077 22.389,1078 10.87,1079 2.975,1080 11.617,1081 20.116,1082 1.791,1083 12.464,1084 15.953,1085 0.438,1086 24.831,1087 12.028,1088 2.812,1089 9.646,1090 21.98,1091 4.664,1092 13.55,1093 17.394,1094 0.082,1095 27.203,1096 13.065,1097 2.578,1098 9.444,1099 23.85,1100 4.374,1101 14.72,1102 18.933,1103 0.334,1104 29.633,1105 14.189,1106 2.314,1107 8.476,1108 25.726,1109 3.69,1110 15.846,1111 20.417,1112 0.054,1113 32.039,1114 15.266,1115 1.845,1116 7.143,1117 27.607,1118 3.419,1119 17.009,1120 21.943,1121 0.252,1122 34.471,1123 16.381,1124 1.555,1125 4.963,1126 29.493,1127 3.029,1128 18.156,1129 23.447,1130 0.035,1131 36.895,1132 17.478,1133 10739,1134 16765,1135 24.849,1136 34.819,1137 53.818,1138 53.672,1139 53.525,1140 53.573,1141 53.54,1142 73.167,1143 3.32,1144 156.839,1145 51.081,1146 5.708,1147 5.379,1148 6.705,1149 5.342,1150 5.289,1151 7.664,1152 1.72,1153 19.164,1154 5.123,1156 1.538,1157 1.533,1158 1.529,1159 1.531,1160 1.53,1161 2.09,1162 0.095,1163 4.481,1164 1.459,1165 4.171,1166 4.213,1167 4.146,1168 4.059,1169 5.158,1170 4.072,1171 4.059,1172 4.101,1173 4.023,1174 3.933,1175 4.963,1176 3.952,1177 3.837,1178 3.877,1179 3.768,1180 3.745,1181 4.741,1182 3.747,1183 3.708,1184 3.761,1185 3.596,1186 3.491,1187 4.617,1188 3.508,1189 3.457,1190 3.51,1191 3.398,1192 3.327,1193 4.508,1194 3.336,1195 3.133,1196 3.206,1197 3.065,1198 2.941,1199 4.177,1200 2.95,1201 3.111,1202 3.2,1203 2.868,1204 2.93,1205 3.976,1206 2.91,1207 2.965,1208 3.023,1209 2.866,1210 2.812,1211 3.751,1212 2.821,1213 0.135,1214 0.097,1215 0.197,1216 0.121,1217 0.094,1218 4.708,1219 0.133,1220 3.379,1221 0.025,1222 6.903,1223 0.332,1224 4.239,1225 0.089,1226 3.289,1227 4.664,1228 0.86,1229 11.617,1230 3.123,1231 1.98,1232 1.954,1233 2.048,1234 2.101,1235 1.226,1236 2.082,1237 1.9,1238 1.869,1239 2.009,1240 1.999,1241 1.164,1242 2.002,1243 1.793,1244 1.754,1245 1.935,1246 1.967,1247 1.085,1248 1.961,1249 1.587,1250 1.539,1251 1.719,1252 1.787,1253 0.87,1254 1.771,1255 1.483,1256 1.421,1257 1.658,1258 1.687,1259 0.825,1260 1.685,1261 1.254,1262 1.183,1263 1.513,1264 1.538,1265 0.658,1266 1.494,1267 1.153,1268 1.064,1269 1.362,1270 1.376,1271 0.368,1272 1.429,1273 1.071,1274 1.031,1275 1.197,1276 1.208,1277 0.322,1278 1.211,1279 4.263,1281 5.602,1282 3.045,1283 7.148,1284 5.352,1285 8.785,1286 7.424,1287 10.472,1295 3.004,1297 5.553,1300 2.267,1305 33.531,1306 76.203,1307 183.61,1308 224.909,1309 249.438,1310 254.193,1311 254.193,1312 32.303,1313 8.385,1314 71.86,1315 71.86,1316 34,1317 12.916,1318 4.755,1319 3.807,1320 37.398,1321 109,1322 103,1323 0.171,1324 199.595,1325 323.55,1326 478.771,1327 50306,1329 19.916,1330 0.664,1331 0.544,1332 19.916,1333 16.324,1334 14.865,1335 0.425,1336 0.288,1337 9.929,1338 14.281,1339 9.781,1340 8.021,1341 14.865,1342 10.081,1343 13.285,1344 0.266,1345 0.148,1346 13.285,1347 7.379,1348 12.141,1349 0.169,1350 0.077,1351 12.141,1352 5.531,1353 10.786,1354 0.107,1355 0.039,1356 10.786,1357 3.989,1358 8.943,1359 0.067,1360 0.02,1361 8.943,1362 2.7,1363 0.259,1364 93.029,1365 0.201,1366 27.693,1367 0.498,1368 170,1369 452.294,1370 185.756,1371 441.425,1372 633.74,1373 420,1374 207,1375 495.577,1376 225.228,1377 499.763,1378 744.57,1379 474,1380 6.636}
{0 CHEMBL1097262,1 1.539,2 8.821,3 2.799,4 7.837,5 108.178,6 7.76,7 0.688,8 4.005,9 4.129,10 3.626,11 3.541,12 5.114,13 3.54,14 4.527,15 4.691,16 3.986,17 3.926,18 5.588,19 3.912,20 4.741,21 4.949,22 4.032,23 4.032,24 5.755,25 3.99,26 4.754,27 4.988,28 4.012,29 4.017,30 5.753,31 3.969,32 4.709,33 4.916,34 4.041,35 4.047,36 5.749,37 4.004,38 4.766,39 4.976,40 4.035,41 4.065,42 5.77,43 4.026,44 4.755,45 4.959,46 3.97,47 4.056,48 5.772,49 3.992,50 4.744,51 4.958,52 3.817,53 4.061,54 5.694,55 3.951,56 0.053,57 0.778,58 9.201,59 3.914,60 8.865,61 5.06,62 0.232,63 1.243,64 17.602,65 6.459,66 19.318,67 8.43,68 0.308,69 1.482,70 23.648,71 7.91,72 29.218,73 11.033,74 0.36,75 1.52,76 24.668,77 7.88,78 31.833,79 11.367,80 0.277,81 1.466,82 22.363,83 7.785,84 32.29,85 10.964,86 0.284,87 1.543,88 23.834,89 7.409,90 28.032,91 10.368,92 0.457,93 1.479,94 23.67,95 8.007,96 31.963,97 11.006,98 0.185,99 1.407,100 23.448,101 9.52,102 26.078,103 13.092,104 2,105 45,106 0.258,107 0.601,108 0.714,109 0.799,110 0.83,111 0.83,112 3.376,113 0.871,114 -5.07,115 -4.97,116 -4.66,119 43.8,125 4,142 9,143 2,144 2,145 1,147 1,149 1,161 1,163 1,164 1,165 1,166 1,172 8,174 3,175 9,180 2,183 8,185 2,186 2,187 8,192 2,195 4,197 2,198 5,199 9,204 1,207 3,209 1,211 1,212 11,214 2,215 2,220 4,224 9,232 4,236 3,237 8,239 2,240 2,242 1,245 7,247 1,250 5,252 1,253 1,258 7,263 3,268 2,271 6,273 2,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.069,282 19.942,283 11.727,284 20.045,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.107,291 22.362,292 5.627,293 16.664,294 4.046,295 1.995,296 1.318,297 0.807,298 0.625,299 0.625,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 19.259,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 60,331 247,332 4.706,333 3.378,334 6.903,335 4.237,336 3.288,337 4.661,338 0.86,339 11.617,340 3.12,341 4.214,342 3.026,343 6.328,344 3.816,345 2.854,346 3.836,347 0.8,348 9.591,349 2.761,350 4.062,351 2.845,352 6.124,353 3.712,354 2.76,355 3.607,357 9.006,358 2.619,359 3.652,360 2.512,361 5.574,362 3.298,363 2.344,364 3.052,366 7.156,367 2.226,368 3.595,369 2.28,370 5.05,371 3.167,372 2.2,373 2.985,375 6.076,376 2.125,377 3.139,378 2.19,379 4.792,380 2.785,381 1.843,382 2.295,384 4.963,385 1.737,386 2.94,387 1.728,388 4.327,389 2.455,390 1.513,391 2.138,393 4.043,394 1.418,395 2.853,396 1.5,397 4.161,398 2.427,399 1.468,400 1.964,402 3.569,403 1.404,404 2.652,405 1.387,406 3.753,407 2.167,408 1.225,409 1.721,411 2.916,412 1.156,413 2.5,414 1.256,415 3.5,416 2.073,417 1.133,418 1.5,420 2.602,421 1.051,422 2.5,423 1.168,424 3.474,425 2,426 1,427 1.5,428 2.488,429 1,430 2.393,431 1,432 3.399,433 1.966,434 1,435 1.376,436 2.136,437 0.964,438 2.01,439 1,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 0.706,449 3.247,450 1.566,451 0.634,452 0.859,454 1.753,455 0.589,456 1.06,457 -0.216,458 2.756,459 0.627,460 -0.317,461 -0.411,463 -0.808,464 -0.297,465 13.233,466 0.473,467 0.551,468 0.02,469 40.25,470 1.438,471 21,472 0.75,473 19.25,474 0.688,475 20.244,476 0.723,477 28.767,478 0.599,479 29.708,480 1.061,481 8.025,482 0.287,483 5.768,484 0.206,485 0.03,487 0.325,493 0.898,494 1.283,495 0.735,496 1.033,497 1.003,498 0.887,499 1.265,500 1.143,501 0.897,502 0.951,503 0.91,504 0.895,505 1.141,506 1.215,507 0.946,508 0.971,509 0.937,510 0.939,511 0.881,512 0.957,513 0.885,514 0.838,515 0.948,516 0.843,517 0.855,518 1.096,519 0.885,520 0.943,521 0.864,522 0.912,523 1.339,524 1.103,525 1.105,526 0.938,527 1.127,528 0.957,529 1.095,530 0.917,531 1.175,532 0.995,533 1.029,534 1.071,535 0.758,536 1.046,537 1.133,538 1.243,539 0.807,540 1.243,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 23007,553 2.223,554 41.7,556 17,558 1,559 2,564 1.72,565 2.154,566 3.136,567 0.247,568 1,569 1,573 73.891,574 1.539,575 3.59,576 4.267,577 4.778,578 4.96,579 4.96,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,590 1,591 268.078,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.33,606 0.88,607 0.343,608 136.928,609 0.007,610 -0.13,611 0.073,612 -0.054,613 -0.11,614 0.007,615 -0.062,616 -0.049,617 0.003,618 0.002,619 -0.02,620 0.002,621 -0.054,622 -0.171,623 0.007,624 -0.025,625 0.015,626 -0.01,627 0.051,628 0.106,629 0.084,630 0.086,631 0.022,632 0.089,633 0.043,634 -0.028,635 0.041,636 0.008,637 0.072,638 0.023,639 -0.277,640 -0.004,641 -0.166,642 -0.026,643 -0.208,644 -0.06,645 0.009,646 0.152,647 -0.236,648 -0.056,649 -0.092,650 -0.156,651 -0.046,652 -0.074,653 -0.214,654 -0.219,655 -0.001,656 -0.235,657 1.029,658 2.016,659 0.964,660 24,661 1.003,662 1.127,663 3.841,664 14.757,665 0.684,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.657,678 372.47,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 12.5,693 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,722 1,726 1,731 48,733 22,734 2,735 32,737 52,738 21,739 17,740 3,741 9,746 5,747 6,761 17,762 4,778 1,781 20,782 6,783 2,784 7,790 6,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 4,856 1,859 1,870 2.1,874 1,877 13,878 8.583,879 6.083,880 2.844,881 3.807,882 1.481,883 1.048,884 4.432,885 11.718,886 3.784,887 4.422,888 5.09,889 5.763,890 6.374,891 6.809,892 7.376,893 7.889,894 8.298,895 8.721,896 0.833,897 46,898 10.31,900 4.427,901 7.577,902 19.94,904 16.631,905 2.077,906 58.167,909 1,910 211.88,911 125.373,912 88.032,914 11,917 125.373,918 222.88,919 88.032,921 13.396,922 118.183,923 74.72,924 27.548,925 2.328,926 200.109,928 211.88,929 213.405,930 11,933 214.208,935 11,937 25.935,938 134.908,939 50.234,941 211.88,942 99.032,943 125.373,946 211.88,947 31.039,948 99.235,950 94.131,951 211.88,952 99.032,953 125.373,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.058,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 123.851,974 17.171,975 7.228,976 3.249,977 1.707,978 97.255,979 19.499,980 14.353,984 4.053,985 1.858,986 32.897,987 436.285,988 43,999 48.123,1000 54.106,1001 0.276,1002 0.643,1003 0.764,1004 0.855,1005 0.888,1006 0.888,1007 5.014,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.109,1013 1.235,1014 6.725,1015 4.417,1016 6.219,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.856,1022 0.325,1023 7.662,1024 3.863,1025 7.528,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.364,1031 0.938,1032 10.826,1033 5.925,1034 8.879,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 8.024,1040 0.268,1041 12.643,1042 6.252,1043 10.268,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 9.954,1049 0.732,1050 15.31,1051 7.743,1052 11.684,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 11.056,1058 0.188,1059 17.479,1060 8.482,1061 13.123,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.743,1067 0.57,1068 19.984,1069 9.738,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 14.066,1076 0.125,1077 22.301,1078 10.673,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.652,1085 0.438,1086 24.754,1087 11.835,1088 2.76,1089 9.591,1090 21.845,1091 4.661,1092 13.406,1093 17.083,1094 0.082,1095 27.137,1096 12.864,1097 2.344,1098 9.006,1099 23.72,1100 3.836,1101 14.581,1102 18.631,1103 0.334,1104 29.577,1105 13.99,1106 2.2,1107 7.156,1108 25.601,1109 3.607,1110 15.712,1111 20.114,1112 0.054,1113 31.991,1114 15.065,1115 1.843,1116 6.076,1117 27.488,1118 3.052,1119 16.881,1120 21.649,1121 0.252,1122 34.43,1123 16.182,1124 1.513,1125 4.963,1126 29.38,1127 2.985,1128 18.034,1129 23.159,1130 0.035,1131 36.861,1132 17.28,1133 8616,1134 13676,1135 22.364,1136 32.819,1137 48.809,1138 48.698,1139 49.005,1140 48.558,1141 48.523,1142 64.99,1143 3.32,1144 140.1,1145 46.23,1146 5.706,1147 5.378,1148 6.705,1149 5.34,1150 5.288,1151 7.661,1152 1.72,1153 19.164,1154 5.12,1155 6.891,1156 1.525,1157 1.522,1158 1.531,1159 1.517,1160 1.516,1161 2.031,1162 0.104,1163 4.378,1164 1.445,1165 4.141,1166 4.189,1167 4.122,1168 3.993,1169 5.173,1170 4.018,1171 3.899,1172 3.933,1173 3.842,1174 3.828,1175 5.08,1176 3.827,1177 3.817,1178 3.858,1179 3.745,1180 3.722,1181 4.75,1182 3.725,1183 3.703,1184 3.756,1185 3.594,1186 3.489,1187 4.617,1188 3.506,1189 3.25,1190 3.321,1191 3.206,1192 3.039,1193 4.56,1194 3.07,1195 3.111,1196 3.206,1197 2.928,1198 2.941,1199 4.357,1200 2.91,1201 3.034,1202 3.128,1203 2.866,1204 2.818,1205 3.994,1206 2.832,1207 2.955,1208 3.016,1209 2.833,1210 2.79,1211 3.674,1212 2.79,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.706,1219 0.146,1220 3.378,1221 0.027,1222 6.903,1223 0.363,1224 4.237,1225 0.097,1226 3.288,1227 4.661,1228 0.86,1229 11.617,1230 3.12,1231 1.96,1232 1.928,1233 2.04,1234 2.095,1235 1.222,1236 2.076,1237 1.889,1238 1.859,1239 2.004,1240 1.992,1241 1.104,1242 1.996,1243 1.781,1244 1.74,1245 1.932,1246 1.953,1247 1.071,1248 1.953,1249 1.582,1250 1.535,1251 1.717,1252 1.775,1253 0.859,1254 1.762,1255 1.252,1256 1.179,1257 1.513,1258 1.538,1259 0.825,1260 1.495,1261 1.153,1262 1.064,1263 1.363,1264 1.376,1265 0.354,1266 1.429,1267 1.037,1268 0.98,1269 1.28,1270 1.315,1271 0.26,1272 1.316,1273 0.954,1274 0.884,1275 1.181,1276 1.13,1277 0.228,1278 1.142,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1293 5.99,1295 2.954,1297 5.516,1300 2.236,1305 31.531,1306 73.891,1307 172.33,1308 204.794,1309 229.323,1310 238.078,1311 238.078,1312 32.803,1313 7.911,1314 82.09,1315 82.09,1316 29,1317 12.772,1318 4.524,1319 3.585,1320 37.229,1321 95,1322 93,1323 0.195,1324 190.731,1325 314.85,1326 457.143,1327 27442,1329 18.924,1330 0.676,1331 0.547,1332 18.924,1333 15.324,1334 13.793,1335 0.431,1336 0.29,1337 9.148,1338 13.242,1339 9.002,1340 7.405,1341 13.793,1342 9.293,1343 12.292,1344 0.273,1345 0.149,1346 12.292,1347 6.725,1348 10.787,1349 0.171,1350 0.077,1351 10.787,1352 4.865,1353 9.528,1354 0.108,1355 0.039,1356 9.528,1357 3.474,1358 8.076,1359 0.068,1360 0.02,1361 8.076,1362 2.387,1363 0.294,1364 86.429,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 419.273,1370 169.062,1371 409.631,1372 581.79,1373 388,1374 185,1375 450.45,1376 202.228,1377 454.711,1378 674.01,1379 430,1380 6.361}
{0 CHEMBL1097263,1 1.539,2 9.25,3 2.799,4 7.837,5 108.178,6 7.76,7 0.688,8 4.005,9 4.129,10 3.626,11 3.541,12 5.114,13 3.54,14 4.527,15 4.691,16 3.986,17 3.926,18 5.588,19 3.912,20 4.741,21 4.949,22 4.032,23 4.032,24 5.759,25 3.99,26 4.754,27 4.988,28 3.994,29 4.014,30 5.751,31 3.962,32 4.704,33 4.918,34 4.011,35 4.036,36 5.687,37 3.99,38 4.73,39 4.928,40 4.037,41 4.054,42 5.764,43 4.015,44 4.758,45 4.968,46 3.943,47 4.045,48 5.771,49 3.983,50 4.719,51 4.93,52 3.767,53 4.048,54 5.639,55 3.924,56 0.053,57 0.778,58 9.201,59 3.914,60 8.865,61 5.06,62 0.232,63 1.243,64 17.602,65 6.459,66 19.207,67 8.43,68 0.308,69 1.482,70 23.648,71 7.91,72 29.713,73 11.033,74 0.365,75 1.516,76 24.659,77 7.883,78 33.811,79 11.353,80 0.248,81 1.435,82 22.649,83 7.803,84 25.914,85 11.078,86 0.269,87 1.504,88 22.416,89 7.472,90 28.725,91 10.31,92 0.464,93 1.474,94 24.073,95 7.646,96 34.505,97 10.584,98 0.162,99 1.357,100 22.698,101 9.858,102 23.702,103 13.474,104 2,105 45,106 0.258,107 0.601,108 0.707,109 0.778,110 0.802,111 0.802,112 3.376,113 0.871,114 -5.07,115 -4.97,116 -4.66,119 43.8,125 4,142 9,143 2,144 2,145 1,147 1,149 1,161 1,163 1,164 1,165 1,166 1,172 8,174 3,175 9,180 2,183 8,185 2,186 2,187 8,192 2,195 4,197 2,198 5,199 11,204 1,207 3,209 1,211 1,212 9,220 4,224 11,226 2,227 2,232 5,236 3,237 7,245 6,250 4,252 2,253 2,255 1,258 9,260 1,263 4,265 1,266 1,271 6,275 1158,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.069,282 19.942,283 11.691,284 20.045,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.101,291 22.362,292 5.608,293 16.648,294 4.046,295 1.995,296 1.36,297 0.932,298 0.792,299 0.792,300 4.092,303 1,304 1,305 1,306 579,307 2.121,310 57.042,311 299.285,314 103.105,318 1.214,319 19.012,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 60,331 259,332 4.706,333 3.378,334 6.903,335 4.236,336 3.287,337 4.661,338 0.86,339 11.616,340 3.119,341 4.199,342 3.026,343 6.327,344 3.803,345 2.846,346 3.814,347 0.8,348 9.586,349 2.742,350 4.053,351 2.82,352 6.104,353 3.702,354 2.745,355 3.601,357 8.918,358 2.615,359 3.661,360 2.511,361 5.573,362 3.305,363 2.349,364 3.09,366 7.15,367 2.234,368 3.641,369 2.341,370 5.045,371 3.222,372 2.251,373 3.017,375 6.091,376 2.181,377 3.14,378 2.191,379 4.793,380 2.787,381 1.844,382 2.296,384 4.963,385 1.738,386 2.967,387 1.73,388 4.4,389 2.457,390 1.516,391 2.182,393 4.229,394 1.42,395 2.853,396 1.512,397 4.161,398 2.435,399 1.484,400 1.961,402 3.569,403 1.405,404 2.538,405 1.385,406 3.756,407 2.098,408 1.202,409 1.556,411 2.908,412 1.068,413 2.5,414 1.256,415 3.5,416 2,417 1.036,418 1.5,420 2.565,421 1,422 2.5,423 1.044,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.402,431 1,432 3.406,433 1.999,434 1,435 1.386,436 2.136,437 0.995,438 2.017,439 1,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 0.728,449 3.247,450 1.582,451 0.651,452 0.874,454 1.796,455 0.604,456 1.2,457 -0.026,458 2.763,459 0.82,460 -0.137,461 -0.174,463 -0.316,464 -0.131,465 13.233,466 0.473,467 0.551,468 0.02,469 40.25,470 1.438,471 21,472 0.75,473 19.25,474 0.688,475 20.17,476 0.72,477 28.767,478 0.599,479 29.595,480 1.057,481 8.025,482 0.287,483 5.768,484 0.206,485 0.03,487 0.325,493 0.898,494 1.283,495 0.735,496 1.033,497 1.003,498 0.887,499 1.265,500 1.143,501 0.897,502 0.951,503 0.912,504 0.895,505 1.141,506 1.215,507 0.946,508 0.971,509 0.914,510 0.939,511 0.897,512 0.946,513 0.922,514 0.854,515 0.999,516 0.87,517 0.897,518 1.084,519 0.859,520 0.892,521 0.88,522 0.861,523 1.176,524 1.131,525 1.073,526 1.021,527 0.89,528 1.014,529 1.283,530 0.887,531 1.229,532 0.921,533 1.14,534 1.026,535 0.583,536 1.04,537 1.12,538 1.327,539 0.772,540 1.314,541 4,542 0.091,543 3.111,544 1.347,545 1.214,546 1.205,547 0.767,548 0.281,549 0.194,550 0.172,551 9421,552 23319,553 2.223,554 41.7,556 17,558 1,559 2,564 1.719,565 2.154,566 3.187,567 0.247,568 1,569 1,573 73.891,574 1.539,575 3.59,576 4.225,577 4.653,578 4.793,579 4.793,580 2.494,581 4.307,582 4.775,583 3.329,584 1258.48,585 8.357,586 16070,588 1,590 1,591 268.078,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.029,598 0.028,599 0.026,600 0.017,601 0.007,602 0.006,603 0.007,604 0.32,605 0.33,606 0.88,607 0.343,608 137.209,609 0.007,610 -0.13,611 0.073,612 -0.054,613 -0.11,614 0.007,615 -0.062,616 -0.049,617 0.003,618 0.002,619 -0.022,620 0.002,621 -0.054,622 -0.171,623 0.007,624 -0.025,625 0.039,626 -0.01,627 0.034,628 0.117,629 0.046,630 0.07,631 -0.026,632 0.062,633 -0.024,634 -0.036,635 0.077,636 0.069,637 -0.035,638 0.089,639 -0.152,640 -0.03,641 -0.152,642 -0.096,643 -0.019,644 -0.114,645 -0.132,646 0.189,647 -0.28,648 0.004,649 -0.183,650 -0.122,651 0.05,652 -0.094,653 -0.211,654 -0.276,655 -0.048,656 -0.282,657 1.008,658 2.016,659 0.964,660 24.694,661 1.003,662 1.127,663 3.841,664 14.757,665 0.684,666 3.497,667 3.829,668 4.159,669 4.477,670 4.779,671 4.934,672 5.165,673 5.361,674 5.505,675 5.613,676 5.726,677 0.657,678 372.47,679 3.497,680 5.043,681 5.916,682 6.808,683 7.703,684 8.607,685 9.513,686 10.425,687 11.338,688 12.255,689 12.5,693 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,722 1,726 1,731 48,733 22,734 2,735 32,737 52,738 21,739 17,740 3,741 9,746 5,747 6,761 17,762 4,778 1,781 20,782 6,783 2,784 7,790 6,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 4,856 1,859 1,870 2.1,874 1,877 13,878 8.583,879 6.083,880 2.844,881 3.798,882 1.48,883 1.048,884 4.432,885 11.709,886 3.784,887 4.422,888 5.09,889 5.756,890 6.374,891 6.814,892 7.368,893 7.884,894 8.302,895 8.735,896 0.714,897 46,898 10.307,900 4.424,901 7.577,902 19.94,904 16.631,905 2.077,906 58.167,909 1,910 211.88,911 125.373,912 88.032,914 11,917 125.373,918 222.88,919 88.032,921 13.396,922 118.183,923 74.72,924 27.548,925 2.328,926 200.109,928 211.88,929 213.405,930 11,933 214.208,935 11,937 25.935,938 134.908,939 50.234,941 211.88,942 99.032,943 125.373,946 211.88,947 31.039,948 99.235,950 94.131,951 211.88,952 99.032,953 125.373,955 0.578,956 0.342,957 0.193,958 0.113,959 24,960 9,961 0.058,962 3,963 1,964 1.074,965 3.964,966 263.83,967 0.074,968 27,969 122.606,974 17.171,975 7.228,976 3.249,977 1.722,978 97.255,979 19.492,980 14.36,984 4.153,985 1.863,986 32.897,987 436.285,988 43,999 48.123,1000 54.106,1001 0.276,1002 0.643,1003 0.756,1004 0.833,1005 0.858,1006 0.858,1007 5.014,1008 1.484,1009 5.889,1010 4.229,1011 4.511,1012 5.109,1013 1.235,1014 6.723,1015 4.417,1016 6.219,1017 1.202,1018 7.452,1019 3.569,1020 4.007,1021 4.856,1022 0.325,1023 7.662,1024 3.863,1025 7.528,1026 1.036,1027 9.121,1028 2.908,1029 6.111,1030 7.364,1031 0.938,1032 10.818,1033 5.925,1034 8.879,1035 1,1036 10.855,1037 2.565,1038 6.494,1039 8.024,1040 0.268,1041 12.638,1042 6.252,1043 10.267,1044 1,1045 12.633,1046 2.275,1047 8.023,1048 9.952,1049 0.732,1050 15.301,1051 7.741,1052 11.683,1053 1,1054 14.441,1055 2.136,1056 8.817,1057 11.053,1058 0.188,1059 17.471,1060 8.477,1061 13.121,1062 0.651,1063 16.27,1064 2.136,1065 10.114,1066 12.74,1067 0.57,1068 19.975,1069 9.731,1070 3.287,1071 -0.137,1072 18.115,1073 1.796,1074 11.105,1075 14.06,1076 0.125,1077 22.293,1078 10.664,1079 2.846,1080 11.616,1081 19.973,1082 -0.316,1083 12.312,1084 15.647,1085 0.438,1086 24.747,1087 11.824,1088 2.745,1089 9.586,1090 21.84,1091 4.661,1092 13.397,1093 17.077,1094 0.082,1095 27.131,1096 12.851,1097 2.349,1098 8.918,1099 23.714,1100 3.814,1101 14.572,1102 18.625,1103 0.334,1104 29.571,1105 13.977,1106 2.251,1107 7.15,1108 25.596,1109 3.601,1110 15.702,1111 20.109,1112 0.054,1113 31.986,1114 15.05,1115 1.844,1116 6.091,1117 27.483,1118 3.09,1119 16.871,1120 21.644,1121 0.252,1122 34.426,1123 16.167,1124 1.516,1125 4.963,1126 29.374,1127 3.017,1128 18.024,1129 23.154,1130 0.035,1131 36.857,1132 17.264,1133 8708,1134 13838,1135 22.364,1136 32.819,1137 48.73,1138 48.586,1139 49.001,1140 48.468,1141 48.424,1142 64.873,1143 3.32,1144 139.875,1145 46.137,1146 5.706,1147 5.378,1148 6.705,1149 5.34,1150 5.287,1151 7.661,1152 1.72,1153 19.163,1154 5.119,1155 7.083,1156 1.523,1157 1.518,1158 1.531,1159 1.515,1160 1.513,1161 2.027,1162 0.104,1163 4.371,1164 1.442,1165 4.141,1166 4.188,1167 4.122,1168 3.993,1169 5.17,1170 4.018,1171 3.899,1172 3.933,1173 3.841,1174 3.828,1175 5.086,1176 3.826,1177 3.817,1178 3.859,1179 3.745,1180 3.722,1181 4.752,1182 3.725,1183 3.704,1184 3.756,1185 3.594,1186 3.489,1187 4.617,1188 3.506,1189 3.264,1190 3.337,1191 3.219,1192 3.053,1193 4.563,1194 3.085,1195 3.111,1196 3.206,1197 2.938,1198 2.941,1199 4.325,1200 2.91,1201 3.019,1202 3.094,1203 2.866,1204 2.813,1205 3.986,1206 2.832,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.706,1219 0.146,1220 3.378,1221 0.027,1222 6.903,1223 0.363,1224 4.236,1225 0.097,1226 3.287,1227 4.661,1228 0.86,1229 11.616,1230 3.119,1231 1.96,1232 1.928,1233 2.04,1234 2.095,1235 1.222,1236 2.076,1237 1.889,1238 1.859,1239 2.004,1240 1.992,1241 1.104,1242 1.996,1243 1.781,1244 1.74,1245 1.932,1246 1.954,1247 1.072,1248 1.953,1249 1.583,1250 1.535,1251 1.717,1252 1.776,1253 0.859,1254 1.763,1255 1.253,1256 1.18,1257 1.513,1258 1.539,1259 0.825,1260 1.495,1261 1.153,1262 1.064,1263 1.365,1264 1.376,1265 0.353,1266 1.429,1267 1.057,1268 1.001,1269 1.253,1270 1.311,1271 0.235,1272 1.306,1273 0.886,1274 0.821,1275 1.181,1276 1.098,1277 0.227,1278 1.107,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.666,1286 6.862,1287 10.345,1293 5.849,1295 2.971,1297 5.516,1300 2.241,1305 31.531,1306 73.891,1307 172.33,1308 202.794,1309 223.323,1310 230.078,1311 230.078,1312 32.59,1313 7.911,1314 82.09,1315 82.09,1316 29,1317 12.767,1318 4.524,1319 3.585,1320 37.26,1321 96,1322 104,1323 0.193,1324 190.731,1325 314.85,1326 457.143,1327 27442,1329 18.924,1330 0.676,1331 0.547,1332 18.924,1333 15.324,1334 13.793,1335 0.431,1336 0.29,1337 9.148,1338 13.242,1339 9.003,1340 7.404,1341 13.793,1342 9.293,1343 12.28,1344 0.273,1345 0.149,1346 12.28,1347 6.721,1348 10.871,1349 0.173,1350 0.078,1351 10.871,1352 4.889,1353 9.376,1354 0.108,1355 0.039,1356 9.376,1357 3.429,1358 8.07,1359 0.068,1360 0.02,1361 8.07,1362 2.397,1363 0.292,1364 86.429,1365 0.211,1366 26.12,1367 0.568,1368 154,1369 419.273,1370 169.062,1371 409.566,1372 581.77,1373 388,1374 185,1375 450.45,1376 202.228,1377 454.576,1378 673.76,1379 430,1380 6.538}
{0 CHEMBL1097561,1 1.536,2 15.585,3 2.895,4 8.384,5 159.014,6 7.125,7 0.478,8 4.462,9 4.601,10 4.005,11 3.936,12 5.487,13 3.923,14 5.037,15 5.239,16 4.359,17 4.34,18 6.018,19 4.307,20 5.288,21 5.516,22 4.407,23 4.511,24 6.207,25 4.435,26 5.385,27 5.653,28 4.41,29 4.533,30 6.275,31 4.439,32 5.33,33 5.566,34 4.413,35 4.535,36 6.29,37 4.457,38 5.325,39 5.559,40 4.42,41 4.558,42 6.222,43 4.474,44 5.337,45 5.574,46 4.361,47 4.558,48 6.217,49 4.456,50 5.357,51 5.61,52 4.279,53 4.553,54 6.206,55 4.414,56 0.075,57 1.249,58 17.393,59 6.5,60 11.424,61 9.385,62 0.514,63 1.983,64 33.982,65 10.265,66 39.216,67 15.603,68 0.584,69 2.392,70 44.68,71 13.585,72 51.11,73 20.989,74 0.587,75 2.497,76 50.64,77 15.471,78 59.712,79 24.202,80 0.592,81 2.419,82 47.193,83 14.364,84 74.097,85 21.974,86 0.483,87 2.487,88 46.135,89 14.556,90 49.809,91 22.356,92 0.574,93 2.462,94 46.842,95 14.895,96 53.195,97 22.962,98 0.535,99 2.404,100 48.122,101 17.513,102 62.206,103 25.922,104 14,105 64,106 0.234,107 0.575,108 0.748,109 0.804,110 0.809,111 0.809,112 3.742,113 0.928,114 -5.26,115 -5.15,116 -4.81,119 38.5,121 2,124 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,168 1,172 10,174 3,175 12,178 2,179 1,180 2,183 11,186 3,187 8,190 1,192 2,195 5,198 6,199 12,204 3,207 5,211 2,212 11,217 2,220 6,223 1,224 15,227 2,229 1,232 8,236 3,237 7,245 6,249 4,250 8,253 4,255 1,258 5,262 2,263 11,266 1,271 2,275 4013,276 28.17,277 28.17,278 28.17,279 28.17,280 28.17,281 25.531,282 38.099,283 16.852,284 28.861,285 22.801,286 22.801,287 22.801,288 22.801,289 22.801,290 18.735,291 54.034,292 8.112,293 23.922,294 4.75,295 2.511,296 1.369,297 1.003,298 0.968,299 0.968,300 4.458,306 1403,307 3.808,310 101.279,311 655.449,314 181.993,318 2.539,319 30.538,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 88.5,331 639,332 4.693,333 3.551,334 6.903,335 4.237,336 3.288,337 4.638,338 1.629,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.825,345 2.868,346 3.796,347 0.916,348 9.594,349 2.76,350 4.001,351 3.077,352 6.107,353 3.734,354 2.774,355 3.457,356 0.86,357 8.93,358 2.653,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.368,365 0.8,366 7.742,367 2.546,368 3.835,369 2.819,370 5.518,371 3.536,372 2.574,373 3.165,374 0.4,375 7.423,376 2.467,377 3.538,378 2.54,379 5.494,380 3.321,381 2.358,382 2.756,383 0.172,384 7.109,385 2.252,386 3.513,387 2.426,388 5.045,389 3.207,390 2.247,391 2.605,392 0.142,393 6.058,394 2.155,395 3.257,396 2.354,397 5.016,398 3.041,399 2.098,400 2.346,402 6.027,403 1.97,404 3.01,405 2.311,406 4.746,407 2.723,408 1.755,409 2.191,411 4.82,412 1.685,413 2.943,414 2.12,415 4.454,416 2.653,417 1.732,418 2.044,420 4.441,421 1.593,422 2.889,423 1.58,424 4.198,425 2.423,426 1.463,427 1.926,428 3.957,429 1.407,430 2.815,431 1.535,432 4.082,433 2.413,434 1.427,435 1.894,436 3.225,437 1.394,438 2.528,439 1.486,440 3.758,441 2.152,442 1.251,443 1.538,445 2.992,446 1.119,447 2.5,448 1.256,449 3.587,450 2.041,451 1.095,452 1.5,454 2.878,455 1.03,456 2.5,457 1.118,458 3.424,459 2,460 1,461 1.5,463 2.275,464 1,465 19.267,466 0.47,467 0.9,468 0.022,469 50.75,470 1.238,471 22.5,472 0.549,473 28.25,474 0.689,475 40.554,476 0.989,477 44.933,478 0.576,479 43.1,480 1.051,481 10.036,482 0.245,483 9.994,484 0.244,485 0.069,487 0.317,493 0.811,494 1.517,495 0.811,496 1.222,497 0.625,498 1.045,499 1.136,500 1.092,501 0.95,502 0.911,503 0.639,504 0.899,505 1.092,506 1.155,507 1.063,508 1.036,509 0.919,510 1.041,511 0.791,512 0.952,513 0.865,514 0.911,515 0.752,516 0.891,517 1.213,518 1.048,519 1.03,520 0.946,521 1.67,522 0.958,523 0.985,524 1.11,525 1.056,526 1.063,527 0.852,528 1.059,529 0.924,530 1.095,531 1.129,532 1.105,533 0.691,534 1.129,535 0.511,536 1.012,537 1.004,538 1.194,539 0.507,540 1.177,541 7.5,542 0.305,543 3.778,544 2.222,545 1.796,546 1.559,547 1.133,548 0.572,549 0.378,550 0.367,551 29933,552 70782,553 2.162,554 47.4,556 30,558 1,559 2,562 4,564 1.808,565 2.067,566 3.859,567 0.161,573 119.776,574 1.536,575 3.775,576 4.916,577 5.282,578 5.317,579 5.317,580 3.338,581 4.784,582 5.317,583 4.083,584 3348.07,585 9.418,586 59632.2,591 490.261,592 1.237,593 5.308,594 0.163,595 0.006,596 0.059,597 0.034,598 0.028,599 0.024,600 0.017,601 0.009,602 0.007,603 0.007,604 0.354,605 0.17,606 0.63,607 0.929,608 233.907,609 0.057,610 -0.236,611 0.087,612 -0.117,613 0.008,614 -0.03,615 0.008,616 0.07,617 0.023,618 0.078,619 0.104,620 0.055,621 -0.064,622 -0.072,623 -0.088,624 -0.047,625 -0.036,626 -0.07,627 0.063,628 0.053,629 0.116,630 0.059,631 0.104,632 0.092,633 -0.132,634 -0.002,635 -0.045,636 0.043,637 -0.189,638 0.016,639 -0.091,640 -0.026,641 -0.095,642 -0.064,643 -0.087,644 -0.076,645 -0.053,646 -0.023,647 -0.171,648 -0.101,649 -0.08,650 -0.141,651 0.17,652 -0.015,653 -0.061,654 -0.148,655 0.109,656 -0.143,657 1.964,658 5.097,659 0.805,660 64.296,661 0.999,662 1.137,663 4.028,664 16.223,665 0.649,666 3.85,667 4.174,668 4.454,669 4.762,670 5.03,671 5.187,672 5.434,673 5.645,674 5.823,675 6.006,676 8.97,677 0.615,678 555.76,679 3.85,680 5.398,681 6.252,682 7.135,683 8.009,684 8.902,685 9.789,686 10.689,687 11.585,688 12.492,689 11.5,692 2,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 78,733 23,734 2,735 46,737 83,738 30,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 18,762 12,766 1,771 1,775 1,781 37,782 10,783 2,784 11,790 9,793 1,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 2,848 41,854 9,855 2,856 1,858 1,859 3,870 2.6,873 1,874 1,877 19.833,878 14.4,879 8.917,880 4.715,881 3.911,882 1.433,883 0.998,884 8.558,885 12.948,886 4.078,887 4.647,888 5.222,889 5.843,890 6.402,891 6.79,892 7.304,893 7.78,894 8.146,895 8.573,896 0.909,897 65,898 15.185,900 6.433,901 7.565,902 29.634,904 24.63,905 2.065,906 84.667,910 411.989,911 158.257,912 97.16,914 36.145,917 158.257,918 448.133,919 97.16,920 16.793,921 60.681,922 85.286,923 99.865,924 34.103,925 6.604,926 400.217,928 411.989,929 255.417,930 36.145,933 367.232,934 72.229,935 11,937 79.347,938 123.508,939 50.234,941 411.989,942 133.305,943 158.257,946 411.989,947 47.13,948 122.153,949 35.899,950 86.379,951 411.989,952 133.305,953 158.257,955 0.577,956 0.326,957 0.184,958 0.1,959 31,960 13,961 0.084,962 7,963 1,964 1.061,965 5.112,966 424.342,967 0.061,968 33,969 197.66,974 27.764,975 12.638,976 6.585,977 1.839,978 131.528,979 20.21,980 14.966,984 4.461,985 2.117,986 35.899,987 703.55,988 58,993 12.097,997 -0.297,999 77.941,1000 88.716,1001 0.244,1002 0.601,1003 0.782,1004 0.84,1005 0.846,1006 0.846,1007 5.325,1008 2.098,1009 6.225,1010 6.058,1011 4.86,1012 5.335,1013 2.277,1014 7.027,1015 4.768,1016 6.503,1017 1.755,1018 7.769,1019 6.027,1020 4.369,1021 5.066,1022 1.404,1023 7.895,1024 4.229,1025 7.794,1026 1.732,1027 9.414,1028 4.82,1029 6.438,1030 7.489,1031 2.564,1032 11.022,1033 6.255,1034 9.12,1035 1.463,1036 11.121,1037 4.441,1038 6.781,1039 8.11,1040 2.341,1041 12.769,1042 6.547,1043 10.482,1044 1.427,1045 12.87,1046 3.957,1047 8.298,1048 10.002,1049 3.218,1050 15.413,1051 8.022,1052 11.871,1053 1.251,1054 14.649,1055 3.225,1056 9.044,1057 11.07,1058 3.326,1059 17.541,1060 8.714,1061 13.283,1062 1.095,1063 16.451,1064 2.992,1065 10.332,1066 12.74,1067 4.046,1068 20.031,1069 9.958,1070 3.288,1071 1,1072 18.271,1073 2.878,1074 11.283,1075 14.039,1076 4.329,1077 22.329,1078 10.853,1079 2.868,1080 11.616,1081 20.105,1082 2.275,1083 12.477,1084 15.616,1085 4.953,1086 24.774,1087 12,1088 2.774,1089 9.594,1090 21.953,1091 4.638,1092 13.533,1093 17.032,1094 5.328,1095 27.149,1096 12.999,1097 2.649,1098 8.93,1099 23.81,1100 3.796,1101 14.695,1102 18.573,1103 5.894,1104 29.584,1105 14.112,1106 2.574,1107 7.742,1108 25.676,1109 3.457,1110 15.805,1111 20.047,1112 6.319,1113 31.995,1114 15.165,1115 2.358,1116 7.423,1117 27.55,1118 3.368,1119 16.962,1120 21.577,1121 6.853,1122 34.433,1123 16.27,1124 2.247,1125 7.109,1126 29.43,1127 3.165,1128 18.101,1129 23.08,1130 7.305,1131 36.862,1132 17.352,1133 27833,1134 42985,1135 31.611,1136 50.62,1137 69.316,1138 69.895,1139 69.782,1140 68.848,1141 68.804,1142 86.257,1143 9.839,1144 195.701,1145 65.678,1146 5.693,1147 5.551,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.86,1153 19.165,1154 5.12,1155 16.263,1156 1.507,1157 1.519,1158 1.517,1159 1.497,1160 1.496,1161 1.875,1162 0.214,1163 4.254,1164 1.428,1165 4.143,1166 4.195,1167 4.118,1168 3.987,1169 7.431,1170 4.012,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.897,1178 3.936,1179 3.842,1180 3.802,1181 4.758,1182 3.808,1183 3.782,1184 3.839,1185 3.676,1186 3.626,1187 4.75,1188 3.627,1189 3.697,1190 3.758,1191 3.583,1192 3.484,1193 4.623,1194 3.5,1195 3.622,1196 3.708,1197 3.527,1198 3.313,1199 4.489,1200 3.354,1201 3.339,1202 3.409,1203 3.252,1204 3.106,1205 4.376,1206 3.13,1207 3.242,1208 3.309,1209 3.126,1210 3.045,1211 4.254,1212 3.048,1213 0.102,1214 0.077,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.551,1221 0.035,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.288,1227 4.638,1228 1.629,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.783,1245 1.987,1246 1.968,1247 1.14,1248 1.968,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.104,1254 1.955,1255 1.585,1256 1.535,1257 1.785,1258 1.849,1259 0.883,1260 1.83,1261 1.508,1262 1.414,1263 1.718,1264 1.772,1265 0.828,1266 1.762,1267 1.316,1268 1.237,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.198,1274 1.142,1275 1.513,1276 1.486,1277 0.825,1278 1.457,1279 4.533,1281 5.855,1282 2.398,1283 7.37,1284 4.727,1285 8.972,1286 6.862,1287 10.623,1289 3.53,1295 7.945,1296 5.519,1297 5.617,1299 0.279,1300 6.384,1305 47.997,1306 119.776,1307 294.416,1308 383.467,1309 411.997,1310 414.752,1311 414.752,1312 62.494,1313 9.037,1314 103.68,1315 103.68,1316 35,1317 13.012,1318 4.585,1319 3.7,1320 59.316,1321 211,1322 249,1323 0.131,1324 291.12,1325 497.34,1326 702.093,1327 120944,1329 28.183,1330 0.687,1331 0.577,1332 28.183,1333 23.662,1334 20.03,1335 0.435,1336 0.309,1337 13.978,1338 19.092,1339 13.658,1340 11.285,1341 20.03,1342 14.229,1343 18.134,1344 0.283,1345 0.169,1346 18.134,1347 10.827,1348 14.944,1349 0.176,1350 0.09,1351 14.944,1352 7.622,1353 13.168,1354 0.114,1355 0.048,1356 13.168,1357 5.552,1358 10.702,1359 0.07,1360 0.026,1361 10.702,1362 3.958,1363 0.208,1364 126.351,1365 0.178,1366 36.868,1367 0.354,1368 220,1369 597.653,1370 244.02,1371 576.228,1372 802.07,1373 544,1374 259,1375 605.003,1376 285.244,1377 610.58,1378 895.13,1379 573,1380 5.713}
{0 CHEMBL1097603,1 1.52,2 14.975,3 2.986,4 8.916,5 155.316,6 7.115,7 0.489,8 4.434,9 4.568,10 3.978,11 3.923,12 5.452,13 3.908,14 5.014,15 5.214,16 4.337,17 4.333,18 5.98,19 4.297,20 5.262,21 5.485,22 4.402,23 4.502,24 6.191,25 4.427,26 5.375,27 5.639,28 4.367,29 4.517,30 6.282,31 4.423,32 5.294,33 5.537,34 4.396,35 4.534,36 6.191,37 4.447,38 5.305,39 5.529,40 4.396,41 4.559,42 6.214,43 4.469,44 5.349,45 5.6,46 4.317,47 4.537,48 6.198,49 4.424,50 5.301,51 5.555,52 4.25,53 4.501,54 6.144,55 4.369,56 0.048,57 1.204,58 16.81,59 6.468,60 10.498,61 9.237,62 0.51,63 1.942,64 33.153,65 10.389,66 34.99,67 15.458,68 0.43,69 2.354,70 43.106,71 13.828,72 46.624,73 20.931,74 0.721,75 2.486,76 50.546,77 15.026,78 72.405,79 23.144,80 0.446,81 2.384,82 45.038,83 14.924,84 53.045,85 22.616,86 0.445,87 2.478,88 44.705,89 14.738,90 48.845,91 22.153,92 0.592,93 2.448,94 48.098,95 15.326,96 54.829,97 23.569,98 0.54,99 2.3,100 45.623,101 16.52,102 56.902,103 24.364,104 13,105 63,106 0.232,107 0.561,108 0.741,109 0.798,110 0.804,111 0.804,112 3.718,113 0.932,114 -5.17,115 -5.06,116 -4.74,119 39.5,121 2,124 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 4,175 12,178 2,180 2,183 11,186 2,187 8,192 2,195 5,198 6,199 14,204 1,207 5,211 2,212 11,220 6,223 1,224 14,227 2,232 8,236 3,237 6,245 6,249 6,250 8,253 2,255 1,258 5,263 11,266 1,271 2,275 3714,276 27.515,277 27.515,278 27.515,279 27.515,280 27.515,281 24.901,282 36.19,283 16.326,284 28.23,285 22.259,286 22.259,287 22.259,288 22.259,289 22.259,290 18.199,291 50.412,292 7.822,293 23.396,294 4.728,295 2.577,296 1.405,297 1.03,298 0.994,299 0.994,300 4.435,305 1,306 1318,307 3.674,310 97.241,311 632.602,314 175.018,318 2.375,319 30.233,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 86,331 599,332 4.693,333 3.657,334 6.903,335 4.237,336 3.288,337 4.638,338 1.701,339 11.616,340 3.12,341 4.188,342 3.38,343 6.329,344 3.828,345 2.871,346 3.797,347 0.916,348 9.594,349 2.764,350 4.008,351 3.077,352 6.107,353 3.746,354 2.791,355 3.457,356 0.86,357 8.932,358 2.658,359 3.932,360 2.948,361 5.811,362 3.621,363 2.664,364 3.371,365 0.8,366 7.867,367 2.552,368 3.902,369 2.821,370 5.637,371 3.604,372 2.649,373 3.196,374 0.563,375 7.741,376 2.529,377 3.594,378 2.541,379 5.516,380 3.323,381 2.361,382 2.88,383 0.172,384 7.115,385 2.253,386 3.521,387 2.424,388 5.231,389 3.212,390 2.252,391 2.605,392 0.075,393 6.407,394 2.159,395 3.257,396 2.347,397 5.044,398 3.04,399 2.096,400 2.346,402 6.051,403 1.97,404 2.978,405 2.12,406 4.746,407 2.654,408 1.734,409 2.188,411 4.82,412 1.593,413 2.937,414 1.974,415 4.441,416 2.467,417 1.52,418 2.043,420 4.334,421 1.435,422 2.816,423 1.58,424 4.083,425 2.415,426 1.427,427 1.907,428 3.225,429 1.406,430 2.533,431 1.534,432 3.767,433 2.153,434 1.253,435 1.545,436 2.993,437 1.12,438 2.5,439 1.486,440 3.587,441 2.07,442 1.119,443 1.5,445 2.893,446 1.057,447 2.5,448 1.256,449 3.512,450 2,451 1.017,452 1.5,454 2.383,455 1,456 2.388,457 1.118,458 3.417,459 2,460 1,461 1.377,463 2.275,464 1,465 18.867,466 0.472,467 0.883,468 0.022,469 50.25,470 1.256,471 22.5,472 0.563,473 27.75,474 0.694,475 39.029,476 0.976,477 43.533,478 0.573,479 42.168,480 1.054,481 9.9,482 0.248,483 9.647,484 0.241,485 0.071,487 0.323,493 0.812,494 1.558,495 0.806,496 1.229,497 0.612,498 1.047,499 1.129,500 1.036,501 0.946,502 0.881,503 0.664,504 0.881,505 1.06,506 1.263,507 1.024,508 1.103,509 0.834,510 1.063,511 1.093,512 0.877,513 0.991,514 0.843,515 1.324,516 0.886,517 0.845,518 1.048,519 0.902,520 0.953,521 0.894,522 0.931,523 0.99,524 1.169,525 1.129,526 1.147,527 0.887,528 1.146,529 0.89,530 1.052,531 1.082,532 1.05,533 0.665,534 1.075,535 0.534,536 0.966,537 0.974,538 1.119,539 0.493,540 1.111,541 7,542 0.313,543 4.222,544 1.847,545 1.956,546 1.559,547 1.072,548 0.569,549 0.387,550 0.327,551 27770,552 64819,553 2.166,554 47.4,556 30,558 1,559 1,562 4,564 1.803,565 2.069,566 3.811,567 -0.367,573 115.518,574 1.52,575 3.671,576 4.843,577 5.218,578 5.254,579 5.254,580 3.338,581 4.872,582 5.282,583 4.029,584 3142.8,585 9.349,586 54570,591 474.842,592 1.249,593 5.272,594 0.156,595 0.007,596 0.067,597 0.028,598 0.032,599 0.024,600 0.017,601 0.01,602 0.007,603 0.006,604 0.353,605 0.17,606 0.75,607 0.812,608 225.96,609 0.037,610 -0.3,611 0.09,612 -0.134,613 0.011,614 -0.036,615 0.024,616 0.121,617 0.029,618 0.102,619 0.072,620 0.07,621 -0.061,622 -0.187,623 -0.055,624 -0.106,625 0.035,626 -0.086,627 -0.053,628 0.14,629 0.012,630 0.1,631 -0.084,632 0.069,633 -0.006,634 -0.008,635 0.061,636 0.05,637 -0.023,638 0.064,639 -0.099,640 -0.072,641 -0.174,642 -0.148,643 -0.123,644 -0.167,645 -0.019,646 -0.017,647 -0.112,648 -0.068,649 -0.059,650 -0.093,651 0.182,652 0.03,653 -0.023,654 -0.095,655 0.128,656 -0.092,657 1.834,658 5.065,659 0.825,660 59.92,661 0.998,662 1.134,663 3.939,664 15.518,665 0.653,666 3.829,667 4.159,668 4.454,669 4.736,670 5.03,671 5.176,672 5.425,673 5.645,674 5.817,675 5.986,676 8.676,677 0.618,678 540.74,679 3.829,680 5.38,681 6.24,682 7.122,683 8.003,684 8.894,685 9.786,686 10.685,687 11.585,688 12.49,689 10.5,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 76,733 23,734 2,735 45,737 81,738 30,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 18,762 12,766 1,771 1,775 1,781 36,782 9,783 1,784 10,790 8,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 2,848 40,854 9,855 1,856 1,858 1,859 3,870 2.6,873 1,874 1,877 19.333,878 14.15,879 8.694,880 4.653,881 3.901,882 1.434,883 1,884 8.075,885 12.887,886 4.06,887 4.637,888 5.228,889 5.828,890 6.403,891 6.788,892 7.303,893 7.782,894 8.146,895 8.566,896 1,897 65,898 14.827,900 6.305,901 7.554,902 29.002,904 24.24,905 2.054,906 82.167,910 411.989,911 158.257,912 79.394,914 36.145,917 158.257,918 448.133,919 79.394,920 16.793,921 45.917,922 85.286,923 99.865,924 31.101,925 6.604,926 400.217,928 411.989,929 237.651,930 36.145,933 367.232,934 72.229,935 11,937 61.581,938 123.508,939 50.234,941 411.989,942 115.539,943 158.257,946 411.989,947 47.13,948 122.276,949 18.011,950 86.379,951 411.989,952 115.539,953 158.257,955 0.581,956 0.338,957 0.178,958 0.102,959 31,960 13,961 0.074,962 6,963 1,964 1.061,965 5.013,966 413.569,967 0.061,968 33,969 194.877,974 26.851,975 12.029,976 6.06,977 1.852,978 113.763,979 20.289,980 14.964,984 4.531,985 2.121,986 18.011,987 685.784,988 57,993 12.065,997 -0.168,999 75.839,1000 86.218,1001 0.243,1002 0.588,1003 0.775,1004 0.835,1005 0.841,1006 0.841,1007 5.311,1008 2.096,1009 6.217,1010 6.407,1011 4.844,1012 5.325,1013 2.34,1014 7.027,1015 4.75,1016 6.493,1017 1.734,1018 7.771,1019 6.051,1020 4.369,1021 5.066,1022 1.494,1023 7.917,1024 4.222,1025 7.788,1026 1.52,1027 9.426,1028 4.82,1029 6.435,1030 7.49,1031 2.696,1032 11.038,1033 6.246,1034 9.119,1035 1.427,1036 11.142,1037 4.334,1038 6.804,1039 8.122,1040 2.537,1041 12.793,1042 6.561,1043 10.487,1044 1.253,1045 12.899,1046 3.225,1047 8.311,1048 10.009,1049 3.446,1050 15.432,1051 8.028,1052 11.881,1053 1.119,1054 14.684,1055 2.993,1056 9.074,1057 11.08,1058 3.626,1059 17.558,1060 8.735,1061 13.296,1062 1.017,1063 16.489,1064 2.893,1065 10.355,1066 12.746,1067 4.374,1068 20.044,1069 9.973,1070 3.288,1071 1,1072 18.311,1073 2.383,1074 11.313,1075 14.045,1076 4.722,1077 22.339,1078 10.874,1079 2.871,1080 11.616,1081 20.146,1082 2.275,1083 12.503,1084 15.62,1085 5.377,1086 24.782,1087 12.019,1088 2.791,1089 9.594,1090 21.993,1091 4.638,1092 13.561,1093 17.036,1094 5.809,1095 27.155,1096 13.019,1097 2.664,1098 8.932,1099 23.849,1100 3.797,1101 14.72,1102 18.576,1103 6.41,1104 29.589,1105 14.13,1106 2.649,1107 7.867,1108 25.713,1109 3.457,1110 15.83,1111 20.049,1112 6.888,1113 31.999,1114 15.183,1115 2.361,1116 7.741,1117 27.584,1118 3.371,1119 16.984,1120 21.579,1121 7.458,1122 34.435,1123 16.286,1124 2.252,1125 7.115,1126 29.462,1127 3.196,1128 18.121,1129 23.081,1130 7.96,1131 36.863,1132 17.367,1133 25753,1134 39522,1135 30.917,1136 49.614,1137 68.134,1138 68.977,1139 68.66,1140 67.716,1141 67.659,1142 85.091,1143 10.177,1144 193.825,1145 64.486,1146 5.693,1147 5.657,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.972,1153 19.165,1154 5.12,1155 15.911,1156 1.514,1157 1.533,1158 1.526,1159 1.505,1160 1.504,1161 1.891,1162 0.226,1163 4.307,1164 1.433,1165 4.143,1166 4.195,1167 4.118,1168 3.988,1169 7.43,1170 4.012,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.899,1178 3.937,1179 3.843,1180 3.803,1181 4.758,1182 3.809,1183 3.783,1184 3.839,1185 3.676,1186 3.626,1187 4.749,1188 3.628,1189 3.697,1190 3.756,1191 3.583,1192 3.484,1193 4.623,1194 3.5,1195 3.619,1196 3.688,1197 3.528,1198 3.353,1199 4.485,1200 3.387,1201 3.297,1202 3.372,1203 3.224,1204 3.088,1205 4.254,1206 3.104,1207 3.176,1208 3.247,1209 3.048,1210 3.011,1211 4.22,1212 3.015,1213 0.104,1214 0.081,1215 0.153,1216 0.094,1217 0.073,1218 4.693,1219 0.103,1220 3.657,1221 0.038,1222 6.903,1223 0.258,1224 4.237,1225 0.069,1226 3.288,1227 4.638,1228 1.701,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.03,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.784,1245 1.988,1246 1.969,1247 1.14,1248 1.969,1249 1.77,1250 1.719,1251 1.933,1252 1.95,1253 1.105,1254 1.955,1255 1.587,1256 1.536,1257 1.79,1258 1.836,1259 0.886,1260 1.822,1261 1.521,1262 1.446,1263 1.715,1264 1.757,1265 0.837,1266 1.752,1267 1.316,1268 1.237,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.076,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.511,1281 5.838,1282 2.398,1283 7.361,1284 4.727,1285 8.969,1286 6.862,1287 10.624,1289 3.437,1295 7.987,1296 2.885,1297 5.614,1299 0.286,1300 6.303,1305 46.976,1306 115.518,1307 278.997,1308 368.049,1309 396.578,1310 399.333,1311 399.333,1312 61.064,1313 8.986,1314 91.65,1315 91.65,1316 35,1317 13.01,1318 4.585,1319 3.7,1320 57.14,1321 199,1322 239,1323 0.134,1324 284.326,1325 486.34,1326 685.515,1327 112681,1329 27.476,1330 0.687,1331 0.579,1332 27.476,1333 23.162,1334 19.547,1335 0.434,1336 0.311,1337 13.744,1338 18.686,1339 13.418,1340 11.077,1341 19.547,1342 13.979,1343 17.621,1344 0.28,1345 0.17,1346 17.621,1347 10.692,1348 15.178,1349 0.179,1350 0.091,1351 15.178,1352 7.697,1353 12.496,1354 0.111,1355 0.048,1356 12.496,1357 5.425,1358 10.728,1359 0.071,1360 0.026,1361 10.728,1362 3.994,1363 0.212,1364 123.006,1365 0.18,1366 36.051,1367 0.364,1368 216,1369 579.32,1370 238.3,1371 558.786,1372 779.15,1373 528,1374 256,1375 586.369,1376 281.05,1377 593.23,1378 873.15,1379 557,1380 6.23}
{0 CHEMBL1097893,1 1.607,2 16.049,3 3.181,4 10.116,5 155.019,6 7.352,7 0.478,8 4.44,9 4.572,10 4.003,11 3.927,12 5.483,13 3.919,14 5.021,15 5.213,16 4.351,17 4.332,18 6.045,19 4.3,20 5.284,21 5.518,22 4.406,23 4.487,24 6.23,25 4.417,26 5.335,27 5.589,28 4.398,29 4.504,30 6.266,31 4.421,32 5.308,33 5.544,34 4.435,35 4.525,36 6.352,37 4.449,38 5.309,39 5.537,40 4.412,41 4.546,42 6.233,43 4.464,44 5.329,45 5.569,46 4.367,47 4.533,48 6.239,49 4.437,50 5.325,51 5.572,52 4.301,53 4.517,54 6.248,55 4.396,56 0.073,57 1.266,58 16.131,59 6.52,60 9.858,61 8.974,62 0.55,63 2.028,64 32.533,65 10.695,66 44.969,67 15.186,68 0.688,69 2.417,70 44.647,71 13.715,72 63.324,73 20.616,74 0.689,75 2.462,76 47.63,77 14.672,78 65.376,79 22.218,80 0.773,81 2.434,82 45.701,83 14.597,84 102.63,85 21.905,86 0.547,87 2.498,88 44.599,89 14.665,90 53.389,91 21.717,92 0.637,93 2.484,94 46.268,95 14.939,96 58.168,97 22.461,98 0.631,99 2.444,100 46.597,101 16.912,102 73.567,103 24.261,104 10,105 63,106 0.246,107 0.582,108 0.753,109 0.825,110 0.831,111 0.831,112 3.742,113 0.928,114 -5.26,115 -5.15,116 -4.82,119 39.5,121 2,125 9,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 12,178 2,179 1,180 2,183 11,186 2,187 8,192 2,195 5,198 6,199 12,204 3,207 5,211 2,212 9,217 2,220 6,223 1,224 13,227 2,229 1,232 8,236 3,237 6,245 6,249 4,250 8,253 4,255 1,258 5,263 11,266 1,271 2,275 4048,276 28.593,277 28.593,278 28.593,279 28.593,280 28.593,281 25.953,282 36.29,283 17.336,284 29.327,285 22.766,286 22.766,287 22.766,288 22.766,289 22.766,290 18.691,291 50.065,292 8.294,293 23.962,294 4.641,295 2.439,296 1.322,297 0.852,298 0.816,299 0.816,300 4.46,305 1,306 1447,307 3.674,310 101.342,311 655.875,314 182.12,318 2.598,319 37.853,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 89.5,331 658,332 4.693,333 3.546,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.759,350 4,351 3.077,352 6.107,353 3.732,354 2.772,355 3.457,356 0.86,357 8.93,358 2.652,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.368,365 0.8,366 7.742,367 2.546,368 3.82,369 2.818,370 5.517,371 3.494,372 2.534,373 3.161,374 0.247,375 7.353,376 2.424,377 3.526,378 2.538,379 5.47,380 3.317,381 2.353,382 2.707,383 0.172,384 7.106,385 2.25,386 3.469,387 2.416,388 5.044,389 3.082,390 2.123,391 2.605,393 6.052,394 2.037,395 3.256,396 2.344,397 4.827,398 3.029,399 2.069,400 2.346,402 5.52,403 1.966,404 2.969,405 2.168,406 4.744,407 2.654,408 1.734,409 2.169,411 4.82,412 1.593,413 2.934,414 2.12,415 4.418,416 2.458,417 1.514,418 2.042,420 4.278,421 1.425,422 2.816,423 1.58,424 4.083,425 2.415,426 1.427,427 1.906,428 3.225,429 1.406,430 2.531,431 1.535,432 3.761,433 2.281,434 1.348,435 1.543,436 2.992,437 1.237,438 2.5,439 1.486,440 3.587,441 2.151,442 1.25,443 1.5,445 2.886,446 1.119,447 2.5,448 1.256,449 3.428,450 2.04,451 1.095,452 1.5,454 2.493,455 1.03,456 2.44,457 1.22,458 3.414,459 2,460 1,461 1.419,463 2.275,464 1,465 19.152,466 0.467,467 0.756,468 0.018,469 50.75,470 1.238,471 22.5,472 0.549,473 28.25,474 0.689,475 39.84,476 0.972,477 45.048,478 0.593,479 42.913,480 1.047,481 10.064,482 0.245,483 10.11,484 0.247,485 0.032,487 0.298,488 1,493 0.73,494 1.384,495 0.771,496 1.194,497 0.549,498 1.022,499 1.027,500 1.08,501 0.982,502 0.984,503 0.747,504 0.973,505 0.954,506 1.024,507 0.992,508 0.97,509 0.766,510 0.979,511 0.788,512 0.879,513 0.932,514 0.915,515 0.73,516 0.932,517 0.74,518 0.919,519 0.918,520 0.944,521 0.732,522 0.952,523 0.835,524 1.023,525 1.062,526 1.086,527 0.674,528 1.1,529 0.767,530 1.001,531 1.055,532 1.068,533 0.52,534 1.094,535 0.616,536 0.969,537 0.999,538 1.156,539 0.603,540 1.154,541 6.5,542 0.305,543 3.778,544 1.972,545 1.876,546 1.448,547 1.052,548 0.556,549 0.37,550 0.343,551 30109,552 78234,553 2.177,554 46.1,556 28,558 1,559 2,562 4,564 1.808,565 2.103,566 3.891,567 0.161,573 122.111,574 1.607,575 3.808,576 4.926,577 5.396,578 5.432,579 5.432,580 3.411,581 4.833,582 5.315,583 4.101,584 3362.65,585 9.416,586 59979.9,591 474.842,592 1.128,593 5.316,594 0.141,595 0.006,596 0.06,597 0.03,598 0.029,599 0.022,600 0.016,601 0.009,602 0.007,603 0.007,604 0.327,605 0.17,606 0.75,607 0.997,608 234.12,609 -0.005,610 -0.214,611 0.072,612 -0.099,613 -0.007,614 -0.018,615 -0.027,616 0.028,617 -0.046,618 0.015,619 -0.003,620 -0.017,621 -0.056,622 -0.036,623 -0.032,624 0.005,625 -0.018,626 -0.008,627 -0.009,628 0.057,629 0.028,630 0.04,631 -0.014,632 0.042,633 0.072,634 0.031,635 0.031,636 0.043,637 0.105,638 0.034,639 -0.085,640 -0.037,641 -0.133,642 -0.096,643 -0.077,644 -0.117,645 -0.025,646 -0.044,647 -0.116,648 -0.084,649 -0.011,650 -0.107,651 0.107,652 -0.004,653 -0.059,654 -0.129,655 0.07,656 -0.13,657 2.11,658 4.92,659 0.805,660 65.296,661 1.005,662 1.139,663 4.035,664 16.279,665 0.652,666 3.85,667 4.159,668 4.454,669 4.754,670 5.037,671 5.182,672 5.434,673 5.645,674 5.817,675 6.001,676 9.034,677 0.623,678 558.73,679 3.85,680 5.389,681 6.244,682 7.122,683 7.999,684 8.889,685 9.778,686 10.677,687 11.576,688 12.481,689 10.5,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 76,733 23,734 2,735 46,737 81,738 30,739 17,740 3,741 9,744 1,746 6,747 7,751 1,752 1,755 3,758 3,761 18,762 12,766 1,771 1,775 1,779 1,781 35,782 10,783 2,784 11,790 8,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,846 1,848 41,854 11,855 2,856 1,858 1,859 2,869 1,870 2.6,873 1,874 1,877 19.5,878 13.343,879 9.083,880 4.711,881 3.911,882 1.433,883 1.004,884 8.828,885 12.948,886 4.078,887 4.637,888 5.222,889 5.837,890 6.405,891 6.788,892 7.303,893 7.779,894 8.143,895 8.57,896 1,897 65,898 15.223,900 6.508,901 7.687,902 29.5,904 24.654,905 2.187,906 89.667,910 388.446,911 152.04,912 94.281,914 36.145,915 14.96,917 152.04,918 424.591,919 109.241,921 71.38,922 85.286,923 99.865,924 31.101,925 21.564,926 376.675,928 388.446,929 246.32,930 51.105,933 358.65,934 72.229,935 11,937 87.043,938 106.715,939 50.234,941 403.406,942 130.426,943 152.04,946 388.446,947 57.706,948 102.359,949 36.022,950 101.339,951 388.446,952 145.386,953 152.04,955 0.57,956 0.33,957 0.184,958 0.105,959 30,960 12,961 0.086,962 7,963 1,964 1.061,965 5.148,966 422.556,967 0.061,968 33,969 203.66,974 27.74,975 13.048,976 6.574,977 1.788,978 143.609,979 19.887,980 14.876,984 4.252,985 2.093,986 36.022,987 685.872,988 58,993 11.92,997 -0.443,999 76.352,1000 86.558,1001 0.257,1002 0.61,1003 0.788,1004 0.864,1005 0.869,1006 0.869,1007 5.316,1008 2.069,1009 6.205,1010 6.052,1011 4.844,1012 5.325,1013 2.277,1014 7.004,1015 4.749,1016 6.485,1017 1.734,1018 7.745,1019 5.52,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.773,1026 1.514,1027 9.389,1028 4.82,1029 6.415,1030 7.481,1031 2.617,1032 11.005,1033 6.229,1034 9.099,1035 1.427,1036 11.097,1037 4.278,1038 6.735,1039 8.098,1040 2.398,1041 12.759,1042 6.504,1043 10.463,1044 1.348,1045 12.848,1046 3.225,1047 8.275,1048 9.998,1049 3.311,1050 15.404,1051 7.998,1052 11.854,1053 1.25,1054 14.629,1055 2.992,1056 9.014,1057 11.066,1058 3.429,1059 17.536,1060 8.685,1061 13.267,1062 1.095,1063 16.434,1064 2.886,1065 10.312,1066 12.738,1067 4.176,1068 20.027,1069 9.937,1070 3.288,1071 1,1072 18.257,1073 2.493,1074 11.262,1075 14.037,1076 4.471,1077 22.327,1078 10.832,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.461,1084 15.615,1085 5.117,1086 24.772,1087 11.984,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 5.506,1095 27.148,1096 12.984,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.684,1102 18.573,1103 6.093,1104 29.584,1105 14.1,1106 2.534,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 6.532,1113 31.995,1114 15.154,1115 2.353,1116 7.353,1117 27.545,1118 3.368,1119 16.954,1120 21.577,1121 7.084,1122 34.432,1123 16.26,1124 2.123,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 7.551,1131 36.861,1132 17.344,1133 27995,1134 45329,1135 31.898,1136 49.552,1137 68.269,1138 70.272,1139 69.395,1140 68.135,1141 68.157,1142 85.604,1143 9.304,1144 192.043,1145 64.89,1146 5.693,1147 5.546,1148 6.768,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 13.352,1156 1.484,1157 1.528,1158 1.509,1159 1.481,1160 1.482,1161 1.861,1162 0.202,1163 4.175,1164 1.411,1165 4.143,1166 4.195,1167 4.118,1168 3.988,1169 8.196,1170 4.012,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 7.431,1176 3.85,1177 3.897,1178 3.935,1179 3.842,1180 3.802,1181 5.136,1182 3.808,1183 3.782,1184 3.839,1185 3.676,1186 3.626,1187 4.758,1188 3.628,1189 3.697,1190 3.756,1191 3.583,1192 3.485,1193 4.75,1194 3.5,1195 3.626,1196 3.695,1197 3.528,1198 3.374,1199 4.623,1200 3.399,1201 3.333,1202 3.4,1203 3.258,1204 3.105,1205 4.485,1206 3.131,1207 3.239,1208 3.304,1209 3.14,1210 3.042,1211 4.254,1212 3.046,1213 0.102,1214 0.077,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.546,1221 0.036,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.783,1245 1.988,1246 1.968,1247 1.14,1248 1.969,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.105,1254 1.955,1255 1.587,1256 1.536,1257 1.782,1258 1.835,1259 0.995,1260 1.818,1261 1.533,1262 1.462,1263 1.716,1264 1.764,1265 0.883,1266 1.756,1267 1.316,1268 1.237,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.179,1274 1.127,1275 1.513,1276 1.466,1277 0.825,1278 1.431,1279 4.533,1281 5.844,1282 2.398,1283 7.354,1284 4.727,1285 8.956,1286 6.862,1287 10.608,1291 12.357,1295 7.148,1296 5.179,1297 5.6,1299 0.259,1300 4.751,1305 47.359,1306 122.111,1307 289.442,1308 374.339,1309 410.088,1310 412.842,1311 412.842,1312 68.588,1313 9.037,1314 100.44,1315 100.44,1316 35,1317 13.002,1318 4.585,1319 3.7,1320 59.327,1321 212,1322 284,1323 0.13,1324 285.524,1325 492.41,1326 688.439,1327 121361,1328 1.3,1329 28.02,1330 0.683,1331 0.561,1332 27.313,1333 23.007,1334 20.174,1335 0.439,1336 0.309,1337 13.978,1338 19.21,1339 13.786,1340 11.283,1341 19.674,1342 14.232,1343 17.647,1344 0.28,1345 0.166,1346 17.293,1347 10.437,1348 15.121,1349 0.178,1350 0.09,1351 14.852,1352 7.677,1353 12.938,1354 0.113,1355 0.048,1356 12.878,1357 5.526,1358 10.972,1359 0.072,1360 0.026,1361 10.658,1362 3.995,1363 0.207,1364 127.541,1365 0.177,1366 36.918,1367 0.352,1368 218,1369 662.119,1370 242.939,1371 606.441,1372 830.37,1373 574,1374 257,1375 602.613,1376 282.895,1377 602.406,1378 889.65,1379 569,1380 6.631}
{0 CHEMBL1097894,1 1.506,2 15.585,3 3.506,4 12.294,5 159.585,6 7.022,7 0.478,8 4.467,9 4.603,10 3.997,11 3.962,12 5.474,13 3.941,14 5.048,15 5.245,16 4.359,17 4.37,18 6.019,19 4.326,20 5.322,21 5.559,22 4.403,23 4.53,24 6.211,25 4.448,26 5.394,27 5.661,28 4.41,29 4.543,30 6.289,31 4.447,32 5.337,33 5.574,34 4.41,35 4.548,36 6.29,37 4.467,38 5.332,39 5.564,40 4.417,41 4.576,42 6.222,43 4.486,44 5.352,45 5.59,46 4.361,47 4.576,48 6.224,49 4.468,50 5.369,51 5.623,52 4.278,53 4.564,54 6.211,55 4.422,56 0.065,57 1.241,58 17.756,59 6.821,60 11.32,61 9.781,62 0.474,63 2.007,64 34.431,65 11.191,66 39.492,67 16.658,68 0.536,69 2.452,70 46.74,71 14.282,72 51.422,73 22.082,74 0.61,75 2.54,76 51.229,77 15.77,78 62.567,79 24.472,80 0.596,81 2.448,82 47.748,83 14.783,84 73.274,85 22.452,86 0.474,87 2.517,88 46.562,89 15.165,90 49.539,91 23.021,92 0.572,93 2.507,94 47.82,95 15.535,96 53.702,97 23.778,98 0.554,99 2.446,100 48.907,101 17.886,102 62.319,103 26.404,104 14,105 64,106 0.229,107 0.565,108 0.748,109 0.807,110 0.812,111 0.812,112 3.742,113 0.949,114 -5.36,115 -5.24,116 -4.9,119 39.2,120 2,121 2,125 7,127 2,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 12,178 2,179 1,180 4,183 12,186 2,187 8,192 2,195 5,198 6,199 14,204 5,207 5,211 2,212 9,217 2,220 6,223 1,224 13,227 2,229 1,232 12,236 3,237 6,245 10,249 4,250 8,253 4,255 1,258 7,263 11,266 1,271 2,275 4013,276 28.17,277 28.17,278 28.17,279 28.17,280 28.17,281 25.531,282 38.729,283 16.852,284 28.849,285 22.801,286 22.801,287 22.801,288 22.801,289 22.801,290 18.735,291 56.421,292 8.112,293 23.897,294 4.797,295 2.582,296 1.377,297 0.991,298 0.956,299 0.956,300 4.458,305 1,306 1403,307 3.808,310 101.279,311 655.449,314 181.993,318 2.539,319 31.119,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 88,331 639,332 4.693,333 3.558,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.825,345 2.868,346 3.796,347 0.916,348 9.594,349 2.76,350 4.001,351 3.077,352 6.107,353 3.734,354 2.774,355 3.457,356 0.86,357 8.93,358 2.653,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.368,365 0.8,366 7.742,367 2.546,368 3.835,369 2.819,370 5.518,371 3.535,372 2.574,373 3.165,374 0.247,375 7.423,376 2.462,377 3.538,378 2.54,379 5.494,380 3.321,381 2.358,382 2.756,383 0.172,384 7.109,385 2.252,386 3.513,387 2.421,388 5.045,389 3.211,390 2.247,391 2.605,393 6.058,394 2.162,395 3.257,396 2.347,397 5.016,398 3.041,399 2.098,400 2.346,402 6.027,403 1.971,404 3.01,405 2.226,406 4.746,407 2.747,408 1.755,409 2.191,411 4.82,412 1.729,413 2.943,414 2.12,415 4.454,416 2.653,417 1.732,418 2.044,420 4.441,421 1.593,422 2.889,423 1.58,424 4.198,425 2.424,426 1.463,427 1.926,428 3.957,429 1.407,430 2.815,431 1.535,432 4.082,433 2.414,434 1.427,435 1.894,436 3.225,437 1.396,438 2.528,439 1.486,440 3.758,441 2.152,442 1.251,443 1.538,445 2.992,446 1.119,447 2.5,448 1.256,449 3.587,450 2.041,451 1.095,452 1.5,454 2.878,455 1.03,456 2.5,457 1.118,458 3.424,459 2,460 1,461 1.5,463 2.275,464 1,465 19.367,466 0.472,467 0.9,468 0.022,469 50.5,470 1.232,471 22.5,472 0.549,473 28,474 0.683,475 41.796,476 1.019,477 44.833,478 0.568,479 41.858,480 1.021,481 9.692,482 0.236,483 10.338,484 0.252,485 0.069,487 0.32,493 0.827,494 1.499,495 0.828,496 1.204,497 0.641,498 1.042,499 1.043,500 1.154,501 0.946,502 0.993,503 0.623,504 0.96,505 1.145,506 1.157,507 1.039,508 1.001,509 0.921,510 0.999,511 0.868,512 0.949,513 0.887,514 0.894,515 0.87,516 0.883,517 1.252,518 1.026,519 1.036,520 0.924,521 1.675,522 0.944,523 0.983,524 1.112,525 1.064,526 1.067,527 0.856,528 1.065,529 0.921,530 1.103,531 1.126,532 1.101,533 0.686,534 1.124,535 0.525,536 1.004,537 1.006,538 1.164,539 0.506,540 1.154,541 7.5,542 0.305,543 3.778,544 2.222,545 1.796,546 1.559,547 1.133,548 0.572,549 0.378,550 0.367,551 29933,552 68000,553 2.162,554 48.1,556 25,558 1,559 2,561 6,562 4,564 1.808,565 2.067,566 3.859,567 0.137,573 118.997,574 1.506,575 3.722,576 4.927,577 5.313,578 5.348,579 5.348,580 3.338,581 4.784,582 5.317,583 4.083,584 3348.07,585 9.418,586 59632.2,591 497.999,592 1.237,593 5.308,594 0.163,595 0.006,596 0.059,597 0.034,598 0.028,599 0.024,600 0.017,601 0.009,602 0.007,603 0.007,604 0.354,605 0.17,606 0.75,607 0.929,608 233.907,609 0.027,610 -0.234,611 0.082,612 -0.096,613 -0.004,614 -0.016,615 0.072,616 0.002,617 0.028,618 0.014,619 0.12,620 0.01,621 -0.099,622 -0.088,623 -0.052,624 -0.026,625 -0.048,626 -0.033,627 0.053,628 0.068,629 0.104,630 0.063,631 0.083,632 0.087,633 -0.13,634 0.026,635 -0.043,636 0.055,637 -0.187,638 0.024,639 -0.079,640 -0.023,641 -0.098,642 -0.071,643 -0.088,644 -0.083,645 -0.036,646 -0.031,647 -0.161,648 -0.105,649 -0.073,650 -0.139,651 0.175,652 -0.005,653 -0.056,654 -0.135,655 0.109,656 -0.131,657 1.89,658 5.139,659 0.805,660 64.296,661 0.996,662 1.135,663 4.13,664 17.053,665 0.65,666 3.85,667 4.174,668 4.454,669 4.762,670 5.03,671 5.187,672 5.434,673 5.645,674 5.823,675 6.006,676 8.97,677 0.614,678 554.77,679 3.85,680 5.398,681 6.252,682 7.135,683 8.009,684 8.902,685 9.789,686 10.689,687 11.585,688 12.492,689 10.1,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 79,733 23,734 2,735 46,737 84,738 31,739 17,740 3,741 9,746 6,747 7,751 1,752 2,755 3,758 4,761 18,762 13,766 1,771 1,775 1,781 38,782 9,783 2,784 10,790 8,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 2,848 41,854 9,855 2,856 1,858 2,859 2,870 2.5,873 1,874 1,877 19.833,878 14.533,879 8.917,880 5.015,881 3.911,882 1.433,883 0.994,884 8.586,885 12.948,886 4.078,887 4.647,888 5.222,889 5.843,890 6.402,891 6.79,892 7.304,893 7.78,894 8.146,895 8.573,896 0.909,897 65,898 15.211,900 6.471,901 7.549,902 29.793,904 24.955,905 2.049,906 84,910 423.76,911 159.114,912 94.281,914 36.145,917 159.114,918 459.904,919 94.281,920 17.65,921 60.804,922 85.286,923 99.865,924 31.101,925 6.604,926 411.989,928 423.76,929 253.395,930 36.145,933 308.377,934 142.856,935 11,937 94.118,938 106.715,939 50.234,941 423.76,942 130.426,943 159.114,946 423.76,947 47.13,948 120.009,949 36.022,950 86.379,951 423.76,952 130.426,953 159.114,955 0.577,956 0.326,957 0.184,958 0.1,959 31,960 13,961 0.083,962 7,963 1,964 1.061,965 5.112,966 424.342,967 0.061,968 33,969 197.66,974 27.801,975 12.662,976 6.6,977 1.85,978 128.649,979 20.287,980 14.983,984 4.514,985 2.122,986 36.022,987 713.299,988 58,993 12.139,997 -0.223,999 78.723,1000 89.633,1001 0.239,1002 0.59,1003 0.782,1004 0.843,1005 0.848,1006 0.848,1007 5.325,1008 2.098,1009 6.225,1010 6.058,1011 4.86,1012 5.335,1013 2.277,1014 7.027,1015 4.77,1016 6.503,1017 1.755,1018 7.769,1019 6.027,1020 4.369,1021 5.066,1022 1.404,1023 7.895,1024 4.237,1025 7.794,1026 1.732,1027 9.414,1028 4.82,1029 6.438,1030 7.489,1031 2.617,1032 11.022,1033 6.255,1034 9.12,1035 1.463,1036 11.121,1037 4.441,1038 6.781,1039 8.11,1040 2.398,1041 12.769,1042 6.551,1043 10.482,1044 1.427,1045 12.87,1046 3.957,1047 8.298,1048 10.002,1049 3.311,1050 15.413,1051 8.022,1052 11.871,1053 1.251,1054 14.649,1055 3.225,1056 9.044,1057 11.07,1058 3.429,1059 17.541,1060 8.716,1061 13.283,1062 1.095,1063 16.451,1064 2.992,1065 10.332,1066 12.74,1067 4.176,1068 20.031,1069 9.958,1070 3.288,1071 1,1072 18.271,1073 2.878,1074 11.283,1075 14.039,1076 4.471,1077 22.329,1078 10.853,1079 2.868,1080 11.616,1081 20.105,1082 2.275,1083 12.477,1084 15.616,1085 5.117,1086 24.774,1087 12,1088 2.774,1089 9.594,1090 21.953,1091 4.638,1092 13.533,1093 17.032,1094 5.506,1095 27.149,1096 12.999,1097 2.649,1098 8.93,1099 23.81,1100 3.796,1101 14.695,1102 18.573,1103 6.093,1104 29.584,1105 14.111,1106 2.574,1107 7.742,1108 25.676,1109 3.457,1110 15.805,1111 20.047,1112 6.532,1113 31.995,1114 15.164,1115 2.358,1116 7.423,1117 27.55,1118 3.368,1119 16.962,1120 21.577,1121 7.084,1122 34.433,1123 16.269,1124 2.247,1125 7.109,1126 29.43,1127 3.165,1128 18.101,1129 23.08,1130 7.551,1131 36.862,1132 17.351,1133 27833,1134 42135,1135 31.611,1136 51.376,1137 69.316,1138 70.037,1139 69.782,1140 68.816,1141 68.804,1142 86.257,1143 9.304,1144 195.701,1145 65.778,1146 5.693,1147 5.558,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 16.263,1156 1.507,1157 1.523,1158 1.517,1159 1.496,1160 1.496,1161 1.875,1162 0.202,1163 4.254,1164 1.43,1165 4.144,1166 4.195,1167 4.118,1168 3.988,1169 7.431,1170 4.012,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.899,1178 3.938,1179 3.843,1180 3.803,1181 4.758,1182 3.809,1183 3.783,1184 3.84,1185 3.676,1186 3.626,1187 4.75,1188 3.628,1189 3.707,1190 3.77,1191 3.591,1192 3.502,1193 4.623,1194 3.511,1195 3.67,1196 3.735,1197 3.552,1198 3.474,1199 4.486,1200 3.482,1201 3.352,1202 3.415,1203 3.267,1204 3.121,1205 4.301,1206 3.152,1207 3.245,1208 3.311,1209 3.138,1210 3.051,1211 4.254,1212 3.055,1213 0.102,1214 0.077,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.558,1221 0.036,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.03,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.784,1245 1.988,1246 1.971,1247 1.14,1248 1.97,1249 1.771,1250 1.719,1251 1.935,1252 1.95,1253 1.112,1254 1.956,1255 1.654,1256 1.582,1257 1.915,1258 1.875,1259 1.089,1260 1.888,1261 1.58,1262 1.531,1263 1.719,1264 1.777,1265 0.883,1266 1.766,1267 1.316,1268 1.238,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.205,1274 1.155,1275 1.513,1276 1.491,1277 0.825,1278 1.459,1279 4.533,1281 5.855,1282 2.398,1283 7.37,1284 4.727,1285 8.972,1286 6.862,1287 10.623,1289 3.863,1295 7.975,1296 5.728,1297 5.62,1299 0.347,1300 4.797,1305 48.503,1306 118.997,1307 294.039,1308 389.205,1309 419.734,1310 422.489,1311 422.489,1312 64.724,1313 9.037,1314 100.44,1315 100.44,1316 35,1317 13.012,1318 4.585,1319 3.7,1320 59.316,1321 211,1322 249,1323 0.131,1324 293.918,1325 503.64,1326 708.92,1327 120944,1329 28.183,1330 0.687,1331 0.58,1332 28.183,1333 23.792,1334 20.03,1335 0.435,1336 0.316,1337 14.339,1338 19.206,1339 14.009,1340 11.576,1341 20.03,1342 14.555,1343 18.134,1344 0.283,1345 0.174,1346 18.134,1347 11.12,1348 14.944,1349 0.176,1350 0.091,1351 14.944,1352 7.717,1353 13.168,1354 0.114,1355 0.048,1356 13.168,1357 5.619,1358 10.702,1359 0.07,1360 0.026,1361 10.702,1362 3.984,1363 0.208,1364 125.569,1365 0.178,1366 36.868,1367 0.354,1368 220,1369 578.007,1370 242.605,1371 558.427,1372 780.63,1373 528,1374 259,1375 590.228,1376 283.052,1377 594.411,1378 876.09,1379 561,1380 6.569}
{0 CHEMBL1097895,1 1.517,2 15.585,3 3.27,4 10.691,5 157.629,6 7.179,7 0.468,8 4.457,9 4.589,10 4.012,11 3.966,12 5.453,13 3.95,14 5.031,15 5.222,16 4.348,17 4.36,18 5.999,19 4.316,20 5.292,21 5.529,22 4.395,23 4.503,24 6.175,25 4.426,26 5.339,27 5.595,28 4.407,29 4.518,30 6.244,31 4.432,32 5.314,33 5.551,34 4.405,35 4.54,36 6.249,37 4.458,38 5.314,39 5.543,40 4.415,41 4.565,42 6.203,43 4.479,44 5.334,45 5.572,46 4.357,47 4.56,48 6.196,49 4.456,50 5.334,51 5.584,52 4.273,53 4.542,54 6.18,55 4.406,56 0.056,57 1.231,58 16.917,59 6.692,60 9.748,61 9.387,62 0.454,63 1.989,64 33.014,65 10.967,66 36.726,67 15.979,68 0.52,69 2.393,70 45.053,71 13.989,72 48.985,73 21.225,74 0.573,75 2.48,76 47.804,77 14.935,78 53.96,79 22.736,80 0.54,81 2.425,82 46.068,83 14.78,84 65.813,85 22.077,86 0.463,87 2.497,88 45.138,89 14.903,90 48.094,91 22.245,92 0.567,93 2.481,94 46.562,95 15.247,96 51.1,97 23.013,98 0.534,99 2.4,100 46.83,101 17.304,102 59.186,103 25.306,104 2,105 66,106 0.231,107 0.567,108 0.738,109 0.814,110 0.819,111 0.819,112 3.742,113 0.939,114 -5.36,115 -5.24,116 -4.9,119 40.3,121 4,125 7,127 2,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 11,174 3,175 12,178 2,179 1,180 4,183 11,186 2,187 8,192 2,195 5,198 6,199 14,204 5,207 5,211 2,212 9,217 2,220 6,223 1,224 13,227 2,229 1,232 12,236 3,237 6,245 10,249 4,250 8,253 4,255 1,258 7,263 11,266 1,271 2,275 4011,276 28.618,277 28.618,278 28.618,279 28.618,280 28.618,281 25.978,282 38.729,283 17.029,284 29.279,285 23.301,286 23.301,287 23.301,288 23.301,289 23.301,290 19.235,291 56.421,292 8.207,293 24.383,294 4.749,295 2.543,296 1.419,297 0.919,298 0.883,299 0.883,300 4.463,305 1,306 1445,307 3.464,308 86.309,310 100.794,311 652.575,314 181.096,318 2.539,319 31.606,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 88,331 639,332 4.693,333 3.566,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.826,345 2.869,346 3.796,347 0.916,348 9.594,349 2.763,350 4.002,351 3.077,352 6.107,353 3.748,354 2.789,355 3.457,356 0.86,357 8.931,358 2.667,359 3.93,360 2.948,361 5.639,362 3.686,363 2.716,364 3.368,365 0.8,366 7.818,367 2.63,368 3.871,369 2.821,370 5.631,371 3.606,372 2.649,373 3.169,374 0.247,375 7.741,376 2.545,377 3.661,378 2.677,379 5.516,380 3.411,381 2.448,382 2.842,383 0.172,384 7.148,385 2.353,386 3.523,387 2.535,388 5.384,389 3.313,390 2.347,391 2.605,393 7.063,394 2.248,395 3.314,396 2.41,397 5.044,398 3.047,399 2.104,400 2.419,402 6.052,403 1.977,404 3.254,405 2.342,406 4.748,407 2.939,408 1.942,409 2.344,411 5.2,412 1.92,413 2.962,414 2.12,415 4.707,416 2.654,417 1.734,418 2.146,420 4.819,421 1.593,422 2.931,423 1.58,424 4.407,425 2.434,426 1.479,427 2.041,428 4.244,429 1.41,430 2.816,431 1.535,432 4.083,433 2.414,434 1.427,435 1.906,436 3.225,437 1.403,438 2.529,439 1.486,440 3.76,441 2.152,442 1.251,443 1.539,445 2.992,446 1.119,447 2.5,448 1.256,449 3.587,450 2.042,451 1.096,452 1.5,454 2.881,455 1.031,456 2.5,457 1.118,458 3.425,459 2,460 1,461 1.5,463 2.275,464 1,465 19.367,466 0.472,467 0.824,468 0.02,469 51,470 1.244,471 22.5,472 0.549,473 28.5,474 0.695,475 40.356,476 0.984,477 44.233,478 0.574,479 41.233,480 1.006,481 9.667,482 0.236,483 10.525,484 0.257,485 0.017,487 0.32,493 0.819,494 1.454,495 0.797,496 1.161,497 0.596,498 1.001,499 1.052,500 1.183,501 0.99,502 1.04,503 0.634,504 1.011,505 1.122,506 1.12,507 0.994,508 0.956,509 0.899,510 0.952,511 0.907,512 0.977,513 0.927,514 0.926,515 0.954,516 0.918,517 1.121,518 1.029,519 1.002,520 0.935,521 1.428,522 0.945,523 0.986,524 1.101,525 1.07,526 1.062,527 0.867,528 1.065,529 0.92,530 1.075,531 1.116,532 1.075,533 0.673,534 1.104,535 0.532,536 0.994,537 1.013,538 1.162,539 0.498,540 1.156,541 7,542 0.279,543 3.833,544 2,545 1.886,546 1.479,547 1.081,548 0.529,549 0.347,550 0.343,551 32013,552 71052,553 2.236,554 46.8,556 25,558 1,559 2,561 4,562 4,564 1.808,565 2.177,566 3.859,567 0.137,573 116.845,574 1.517,575 3.724,576 4.848,577 5.348,578 5.384,579 5.384,580 3.338,581 4.784,582 5.317,583 4.084,584 3348.52,585 9.417,586 59620.1,591 482.543,592 1.053,593 5.323,594 0.149,595 0.006,596 0.061,597 0.031,598 0.029,599 0.022,600 0.016,601 0.009,602 0.006,603 0.007,604 0.336,605 0.17,606 0.75,607 0.261,608 233.903,609 0.021,610 -0.211,611 0.087,612 -0.078,613 0.026,614 -0.003,615 0.054,616 -0.036,617 -0.033,618 -0.047,619 0.103,620 -0.057,621 -0.086,622 -0.071,623 -0.009,624 0.012,625 -0.024,626 0.011,627 0.032,628 0.058,629 0.06,630 0.03,631 0.023,632 0.047,633 -0.095,634 0.011,635 -0.021,636 0.046,637 -0.138,638 0.027,639 -0.086,640 -0.022,641 -0.11,642 -0.076,643 -0.099,644 -0.091,645 -0.037,646 -0.018,647 -0.153,648 -0.09,649 -0.066,650 -0.126,651 0.174,652 -0.002,653 -0.062,654 -0.138,655 0.117,656 -0.137,657 1.828,658 5.179,659 0.878,660 64.239,661 0.998,662 1.133,663 4.13,664 17.053,665 0.657,666 3.871,667 4.205,668 4.477,669 4.779,670 5.056,671 5.198,672 5.451,673 5.659,674 5.835,675 6.026,676 8.97,677 0.623,678 552.75,679 3.871,680 5.425,681 6.29,682 7.175,683 8.056,684 8.95,685 9.84,686 10.741,687 11.638,688 12.543,689 10.4,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 77,733 23,734 2,735 47,737 83,738 31,739 17,740 3,741 9,746 7,747 8,751 1,755 6,758 6,761 18,762 13,766 1,771 1,775 1,781 36,782 9,783 2,784 10,790 8,794 0.857,795 2,803 1,806 1,809 1,811 1,812 5,815 1,836 1,839 1,840 6,848 41,854 11,855 2,856 1,858 2,859 2,870 2.6,873 1,874 1,877 18.833,878 13.533,879 8.833,880 4.932,881 3.928,882 1.43,883 1.02,884 7.682,885 13.06,886 4.094,887 4.666,888 5.233,889 5.848,890 6.412,891 6.792,892 7.308,893 7.784,894 8.15,895 8.58,896 0.909,897 65,898 15.237,900 6.622,901 7.524,902 30.012,904 25.811,905 2.024,906 83,910 400.217,911 146.533,912 94.281,914 36.145,917 146.533,918 436.362,919 94.281,921 65.873,922 85.286,923 99.865,924 31.101,925 6.604,926 388.446,928 400.217,929 240.814,930 36.145,933 308.377,934 119.314,935 11,937 81.537,938 106.715,939 50.234,941 400.217,942 130.426,943 146.533,946 400.217,947 52.199,948 102.359,949 36.022,950 86.379,951 400.217,952 130.426,953 146.533,955 0.58,956 0.326,957 0.182,958 0.101,959 34,960 13,961 0.084,962 7,963 1,964 1.056,965 5.258,966 431.219,967 0.056,968 36,969 201.66,974 26.542,975 11.867,976 6.288,977 1.862,978 128.649,979 20.376,980 15.005,984 4.574,985 2.127,986 36.022,987 677.176,988 59,993 12.179,997 -0.161,999 76.839,1000 87.218,1001 0.242,1002 0.594,1003 0.774,1004 0.853,1005 0.859,1006 0.859,1007 5.349,1008 2.104,1009 6.26,1010 7.063,1011 4.89,1012 5.354,1013 2.277,1014 7.067,1015 4.803,1016 6.531,1017 1.942,1018 7.808,1019 6.052,1020 4.443,1021 5.103,1022 1.404,1023 7.966,1024 4.32,1025 7.827,1026 1.734,1027 9.457,1028 5.2,1029 6.488,1030 7.507,1031 2.617,1032 11.066,1033 6.312,1034 9.155,1035 1.479,1036 11.166,1037 4.819,1038 6.858,1039 8.131,1040 2.398,1041 12.816,1042 6.641,1043 10.519,1044 1.427,1045 12.916,1046 4.244,1047 8.36,1048 10.014,1049 3.311,1050 15.447,1051 8.095,1052 11.908,1053 1.251,1054 14.694,1055 3.225,1056 9.116,1057 11.08,1058 3.429,1059 17.568,1060 8.803,1061 13.318,1062 1.096,1063 16.494,1064 2.992,1065 10.395,1066 12.746,1067 4.176,1068 20.051,1069 10.034,1070 3.288,1071 1,1072 18.312,1073 2.881,1074 11.347,1075 14.043,1076 4.471,1077 22.344,1078 10.933,1079 2.869,1080 11.616,1081 20.143,1082 2.275,1083 12.535,1084 15.618,1085 5.117,1086 24.785,1087 12.073,1088 2.789,1089 9.594,1090 21.987,1091 4.638,1092 13.587,1093 17.034,1094 5.506,1095 27.156,1096 13.069,1097 2.716,1098 8.931,1099 23.841,1100 3.796,1101 14.745,1102 18.574,1103 6.093,1104 29.59,1105 14.176,1106 2.649,1107 7.818,1108 25.703,1109 3.457,1110 15.85,1111 20.048,1112 6.532,1113 31.999,1114 15.224,1115 2.448,1116 7.741,1117 27.574,1118 3.368,1119 17.002,1120 21.578,1121 7.084,1122 34.435,1123 16.324,1124 2.347,1125 7.148,1126 29.451,1127 3.169,1128 18.137,1129 23.081,1130 7.551,1131 36.863,1132 17.401,1133 28755,1134 43057,1135 32.997,1136 50.614,1137 70.754,1138 71.966,1139 71.098,1140 70.396,1141 70.417,1142 87.864,1143 9.304,1144 202.011,1145 67.396,1146 5.693,1147 5.566,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 9.148,1156 1.505,1157 1.531,1158 1.513,1159 1.498,1160 1.498,1161 1.869,1162 0.198,1163 4.298,1164 1.434,1165 4.144,1166 4.196,1167 4.118,1168 3.989,1169 7.431,1170 4.013,1171 3.931,1172 3.977,1173 3.857,1174 3.855,1175 5.136,1176 3.85,1177 3.926,1178 3.972,1179 3.853,1180 3.808,1181 4.758,1182 3.814,1183 3.856,1184 3.9,1185 3.754,1186 3.749,1187 4.75,1188 3.742,1189 3.781,1190 3.838,1191 3.674,1192 3.625,1193 4.623,1194 3.627,1195 3.691,1196 3.749,1197 3.574,1198 3.483,1199 4.487,1200 3.498,1201 3.393,1202 3.445,1203 3.337,1204 3.139,1205 4.347,1206 3.181,1207 3.257,1208 3.323,1209 3.172,1210 3.058,1211 4.254,1212 3.064,1213 0.1,1214 0.076,1215 0.147,1216 0.09,1217 0.07,1218 4.693,1219 0.099,1220 3.566,1221 0.035,1222 6.903,1223 0.247,1224 4.237,1225 0.066,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.047,1241 1.22,1242 2.047,1243 1.828,1244 1.783,1245 1.987,1246 1.964,1247 1.14,1248 1.968,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.105,1254 1.954,1255 1.584,1256 1.534,1257 1.721,1258 1.798,1259 0.884,1260 1.777,1261 1.385,1262 1.328,1263 1.557,1264 1.669,1265 0.825,1266 1.637,1267 1.315,1268 1.236,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.554,1280 1.946,1281 5.883,1282 3.932,1283 7.408,1284 5.82,1285 9.018,1286 7.681,1287 10.673,1295 10.127,1296 5.879,1297 5.624,1299 0.602,1300 4.807,1305 47.976,1306 116.845,1307 286.755,1308 373.258,1309 411.788,1310 414.543,1311 414.543,1312 60.261,1313 9.132,1314 100.44,1315 100.44,1316 38,1317 13.064,1318 4.585,1319 3.7,1320 54.177,1321 211,1322 249,1323 0.119,1324 286.525,1325 491.28,1326 690.88,1327 137471,1329 27.597,1330 0.673,1331 0.566,1332 27.597,1333 23.206,1334 20.192,1335 0.43,1336 0.313,1337 14.5,1338 19.376,1339 14.284,1340 11.694,1341 20.192,1342 14.717,1343 18.184,1344 0.276,1345 0.17,1346 18.184,1347 11.24,1348 15.214,1349 0.175,1350 0.091,1351 15.214,1352 7.921,1353 13.168,1354 0.112,1355 0.048,1356 13.168,1357 5.687,1358 11.048,1359 0.071,1360 0.026,1361 11.048,1362 4.094,1363 0.189,1364 126.54,1365 0.174,1366 36.957,1367 0.32,1368 226,1369 584.007,1370 248.605,1371 563.606,1372 791.23,1373 534,1374 269,1375 600.228,1376 293.385,1377 603.319,1378 892.92,1379 571,1380 6.491}
{0 CHEMBL1097896,1 1.564,2 16.049,3 2.241,4 5.02,5 156.711,6 7.23,7 0.478,8 4.453,9 4.584,10 4,11 3.933,12 5.495,13 3.924,14 5.025,15 5.213,16 4.349,17 4.341,18 6.032,19 4.305,20 5.296,21 5.53,22 4.403,23 4.497,24 6.219,25 4.423,26 5.347,27 5.603,28 4.396,29 4.512,30 6.265,31 4.426,32 5.316,33 5.552,34 4.429,35 4.532,36 6.323,37 4.454,38 5.319,39 5.546,40 4.411,41 4.552,42 6.241,43 4.469,44 5.337,45 5.576,46 4.362,47 4.541,48 6.228,49 4.443,50 5.332,51 5.576,52 4.296,53 4.529,54 6.233,55 4.404,56 0.077,57 1.212,58 16.866,59 6.538,60 12.196,61 9.143,62 0.509,63 1.948,64 32.88,65 10.667,66 41.968,67 15.528,68 0.619,69 2.361,70 45.298,71 13.843,72 58.385,73 21.148,74 0.658,75 2.447,76 48.426,77 14.702,78 63.602,79 22.625,80 0.679,81 2.395,82 46.141,83 14.704,84 89.735,85 22.259,86 0.529,87 2.466,88 45.454,89 14.621,90 55.433,91 21.961,92 0.602,93 2.432,94 46.869,95 14.984,96 56.563,97 22.861,98 0.582,99 2.351,100 46.772,101 16.909,102 68.882,103 24.669,104 10,105 63,106 0.239,107 0.583,108 0.746,109 0.828,110 0.833,111 0.833,112 3.742,113 0.931,114 -4.45,115 -4.37,116 -4.12,119 39,121 2,125 9,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 12,178 2,179 1,180 2,183 11,186 2,187 8,191 1,192 2,195 5,198 6,199 12,204 3,207 5,211 2,212 9,215 1,216 1,217 2,220 6,223 1,224 13,227 2,229 1,232 8,236 3,237 6,242 2,245 6,249 4,250 8,253 4,255 3,258 5,263 11,266 1,268 1,271 2,275 4048,276 28.593,277 28.593,278 28.593,279 28.593,280 28.593,281 25.953,282 36.458,283 17.336,284 29.303,285 22.766,286 22.766,287 22.766,288 22.766,289 22.766,290 18.691,291 50.329,292 8.294,293 23.922,294 4.702,295 2.444,296 1.377,297 0.841,298 0.805,299 0.805,300 4.46,306 1447,307 3.674,310 101.342,311 655.875,314 182.12,318 2.598,319 35.544,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89,331 658,332 4.693,333 3.546,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.759,350 4,351 3.077,352 6.107,353 3.732,354 2.772,355 3.457,356 0.86,357 8.93,358 2.652,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.368,365 0.8,366 7.742,367 2.546,368 3.82,369 2.818,370 5.517,371 3.494,372 2.534,373 3.161,374 0.247,375 7.353,376 2.424,377 3.526,378 2.538,379 5.47,380 3.317,381 2.353,382 2.707,383 0.172,384 7.106,385 2.25,386 3.469,387 2.415,388 5.044,389 3.083,390 2.123,391 2.605,393 6.052,394 2.038,395 3.256,396 2.344,397 4.827,398 3.029,399 2.069,400 2.346,402 5.52,403 1.966,404 2.969,405 2.12,406 4.744,407 2.654,408 1.734,409 2.169,411 4.82,412 1.593,413 2.934,414 1.866,415 4.418,416 2.46,417 1.514,418 2.042,420 4.278,421 1.428,422 2.816,423 1.58,424 4.083,425 2.415,426 1.427,427 1.906,428 3.225,429 1.406,430 2.531,431 1.535,432 3.761,433 2.298,434 1.348,435 1.543,436 2.992,437 1.268,438 2.5,439 1.486,440 3.587,441 2.151,442 1.25,443 1.5,445 2.886,446 1.119,447 2.5,448 1.256,449 3.428,450 2.041,451 1.095,452 1.5,454 2.493,455 1.03,456 2.44,457 1.118,458 3.414,459 2,460 1,461 1.419,463 2.275,464 1,465 19.2,466 0.468,467 0.756,468 0.018,469 50.75,470 1.238,471 22.5,472 0.549,473 28.25,474 0.689,475 39.968,476 0.975,477 45,478 0.584,479 42.785,480 1.044,481 10.033,482 0.245,483 10.141,484 0.247,485 0.035,487 0.297,493 0.872,494 1.492,495 0.812,496 1.184,497 0.723,498 1.016,499 1.054,500 1.147,501 0.986,502 0.999,503 0.722,504 0.982,505 1.006,506 1.142,507 0.991,508 0.977,509 0.81,510 0.976,511 0.855,512 0.955,513 0.941,514 0.911,515 0.829,516 0.922,517 0.83,518 1.049,519 0.935,520 0.955,521 0.897,522 0.952,523 0.955,524 1.125,525 1.093,526 1.087,527 0.849,528 1.096,529 0.826,530 1.081,531 1.071,532 1.073,533 0.571,534 1.09,535 0.59,536 1.009,537 1.01,538 1.172,539 0.567,540 1.163,541 6.5,542 0.305,543 3.778,544 1.972,545 1.876,546 1.448,547 1.052,548 0.556,549 0.37,550 0.343,551 30109,552 74912,553 2.177,554 46.8,556 28,558 1,559 3,562 4,564 1.808,565 2.103,566 3.891,567 0.764,573 120.464,574 1.564,575 3.823,576 4.89,577 5.426,578 5.462,579 5.462,580 3.411,581 4.833,582 5.315,583 4.101,584 3362.65,585 9.416,586 59979.9,591 482.543,592 1.128,593 5.316,594 0.141,595 0.006,596 0.06,597 0.03,598 0.029,599 0.022,600 0.016,601 0.009,602 0.007,603 0.007,604 0.327,605 0.17,606 0.63,607 0.997,608 234.12,609 -0.026,610 -0.226,611 0.068,612 -0.078,613 -0.033,614 -0.007,615 -0.009,616 0.017,617 -0.036,618 0.008,619 0.021,620 -0.02,621 -0.059,622 -0.085,623 -0.019,624 0.004,625 -0.016,626 -0.003,627 -0.008,628 0.085,629 0.035,630 0.05,631 -0.012,632 0.05,633 0.049,635 0.029,636 0.041,637 0.075,638 0.036,639 -0.108,640 -0.033,641 -0.143,642 -0.091,643 -0.112,644 -0.116,645 -0.027,646 -0.02,647 -0.117,648 -0.079,649 -0.023,650 -0.102,651 0.128,653 -0.066,654 -0.138,655 0.087,656 -0.139,657 2.03,658 4.976,659 0.805,660 65.296,661 1.002,662 1.135,663 3.216,664 10.341,665 0.65,666 3.85,667 4.159,668 4.454,669 4.754,670 5.037,671 5.182,672 5.434,673 5.645,674 5.817,675 6.001,676 9.034,677 0.619,678 556.74,679 3.85,680 5.389,681 6.244,682 7.122,683 7.999,684 8.889,685 9.778,686 10.677,687 11.576,688 12.481,689 10.4,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 77,733 23,734 2,735 46,737 82,738 30,739 17,740 3,741 9,746 6,747 7,751 1,752 1,755 3,758 3,761 18,762 12,766 1,771 1,775 1,781 36,782 10,783 3,784 11,790 8,794 0.833,795 3,796 1,803 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,848 41,853 1,854 11,855 2,856 1,858 1,859 2,870 3.9,871 1,873 1,874 1,877 19.5,878 13.4,879 9.083,880 4.74,881 3.911,882 1.433,883 0.986,884 8.847,885 12.948,886 4.078,887 4.637,888 5.222,889 5.837,890 6.405,891 6.788,892 7.303,893 7.779,894 8.143,895 8.57,896 1,897 65,898 15.201,900 6.482,901 7.638,902 29.554,904 24.699,905 2.138,906 87.667,910 388.446,911 143.57,912 94.281,914 78.828,917 143.57,918 467.275,919 94.281,921 62.91,922 127.97,923 99.865,924 31.101,925 6.604,926 376.675,928 388.446,929 237.85,930 78.828,933 343.69,934 72.229,935 53.683,937 78.573,938 106.715,939 50.234,941 388.446,942 173.109,943 143.57,946 388.446,947 49.236,948 102.359,949 36.022,950 129.062,951 388.446,952 173.109,953 143.57,955 0.57,956 0.33,957 0.184,958 0.105,959 30,960 12,961 0.098,962 8,963 1,964 1.061,965 5.148,966 422.556,967 0.061,968 33,969 203.66,974 27.764,975 13.065,976 6.585,977 1.81,978 171.332,979 20.029,980 14.913,984 4.347,985 2.103,986 78.705,987 705.125,988 58,993 11.976,997 -0.363,999 77.167,1000 87.427,1001 0.25,1002 0.61,1003 0.78,1004 0.866,1005 0.872,1006 0.872,1007 5.316,1008 2.069,1009 6.205,1010 6.052,1011 4.844,1012 5.325,1013 2.277,1014 7.004,1015 4.751,1016 6.485,1017 1.734,1018 7.745,1019 5.52,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.773,1026 1.514,1027 9.389,1028 4.82,1029 6.415,1030 7.481,1031 2.617,1032 11.005,1033 6.231,1034 9.099,1035 1.427,1036 11.097,1037 4.278,1038 6.735,1039 8.098,1040 2.398,1041 12.759,1042 6.504,1043 10.463,1044 1.348,1045 12.848,1046 3.225,1047 8.275,1048 9.998,1049 3.311,1050 15.404,1051 7.998,1052 11.854,1053 1.25,1054 14.629,1055 2.992,1056 9.014,1057 11.066,1058 3.429,1059 17.536,1060 8.685,1061 13.267,1062 1.095,1063 16.434,1064 2.886,1065 10.312,1066 12.738,1067 4.176,1068 20.027,1069 9.937,1070 3.288,1071 1,1072 18.257,1073 2.493,1074 11.262,1075 14.037,1076 4.471,1077 22.327,1078 10.832,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.461,1084 15.615,1085 5.117,1086 24.772,1087 11.984,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 5.506,1095 27.148,1096 12.984,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.684,1102 18.573,1103 6.093,1104 29.584,1105 14.1,1106 2.534,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 6.532,1113 31.995,1114 15.154,1115 2.353,1116 7.353,1117 27.545,1118 3.368,1119 16.954,1120 21.577,1121 7.084,1122 34.432,1123 16.26,1124 2.123,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 7.551,1131 36.861,1132 17.344,1133 27995,1134 44333,1135 31.898,1136 50.069,1137 68.269,1138 69.837,1139 69.395,1140 68.137,1141 68.157,1142 85.604,1143 9.304,1144 192.043,1145 64.983,1146 5.693,1147 5.546,1148 6.768,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 13.352,1156 1.484,1157 1.518,1158 1.509,1159 1.481,1160 1.482,1161 1.861,1162 0.202,1163 4.175,1164 1.413,1165 4.143,1166 4.195,1167 4.118,1168 3.988,1169 7.431,1170 4.012,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 6.456,1176 3.85,1177 3.897,1178 3.935,1179 3.842,1180 3.802,1181 5.135,1182 3.808,1183 3.782,1184 3.839,1185 3.676,1186 3.626,1187 4.758,1188 3.628,1189 3.697,1190 3.755,1191 3.582,1192 3.485,1193 4.75,1194 3.5,1195 3.624,1196 3.686,1197 3.521,1198 3.374,1199 4.623,1200 3.398,1201 3.335,1202 3.397,1203 3.251,1204 3.106,1205 4.485,1206 3.132,1207 3.242,1208 3.302,1209 3.132,1210 3.043,1211 4.254,1212 3.047,1213 0.102,1214 0.077,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.546,1221 0.036,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.783,1245 1.988,1246 1.968,1247 1.14,1248 1.969,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.105,1254 1.955,1255 1.587,1256 1.536,1257 1.791,1258 1.836,1259 1.001,1260 1.821,1261 1.536,1262 1.472,1263 1.717,1264 1.765,1265 0.883,1266 1.757,1267 1.316,1268 1.237,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.184,1274 1.136,1275 1.513,1276 1.48,1277 0.825,1278 1.442,1279 4.533,1281 5.844,1282 2.398,1283 7.354,1284 4.727,1285 8.956,1286 6.862,1287 10.608,1294 8.914,1295 7.938,1296 5.36,1297 5.606,1299 0.267,1300 4.768,1305 47.691,1306 120.464,1307 294.388,1308 376.529,1309 417.788,1310 420.543,1311 420.543,1312 66.628,1313 9.037,1314 120.67,1315 120.67,1316 35,1317 13.002,1318 4.585,1319 3.7,1320 59.327,1321 212,1322 284,1323 0.13,1324 288.322,1325 495.13,1326 695.266,1327 121361,1329 28.02,1330 0.683,1331 0.563,1332 28.02,1333 23.076,1334 20.174,1335 0.439,1336 0.31,1337 14.041,1338 19.264,1339 13.838,1340 11.344,1341 20.174,1342 14.281,1343 17.647,1344 0.28,1345 0.166,1346 17.647,1347 10.471,1348 15.121,1349 0.178,1350 0.091,1351 15.121,1352 7.695,1353 12.938,1354 0.113,1355 0.048,1356 12.938,1357 5.534,1358 10.972,1359 0.072,1360 0.026,1361 10.972,1362 4.003,1363 0.207,1364 127.187,1365 0.177,1366 36.918,1367 0.352,1368 218,1369 608.157,1370 241.711,1371 581.471,1372 804.45,1373 550,1374 257,1375 595.461,1376 282.104,1377 597.834,1378 882.29,1379 565,1380 7.066}
{0 CHEMBL1097897,1 1.55,2 16.833,3 2.649,4 7.018,5 161.462,6 7.135,7 0.468,8 4.486,9 4.618,10 4.027,11 3.96,12 5.508,13 3.95,14 5.067,15 5.259,16 4.365,17 4.361,18 6.047,19 4.325,20 5.311,21 5.541,22 4.419,23 4.521,24 6.213,25 4.446,26 5.386,27 5.645,28 4.414,29 4.543,30 6.281,31 4.452,32 5.358,33 5.601,34 4.445,35 4.558,36 6.31,37 4.476,38 5.347,39 5.575,40 4.441,41 4.576,42 6.262,43 4.493,44 5.37,45 5.608,46 4.383,47 4.563,48 6.269,49 4.467,50 5.359,51 5.604,52 4.324,53 4.559,54 6.227,55 4.434,56 0.048,57 1.247,58 17.768,59 6.853,60 11.008,61 9.673,62 0.563,63 1.988,64 35.143,65 11.064,66 42.984,67 16.161,68 0.587,69 2.408,70 46,71 14.15,72 51.356,73 21.678,74 0.639,75 2.525,76 50.581,77 15.406,78 61.506,79 23.855,80 0.702,81 2.472,82 48.7,83 15.162,84 76.009,85 23.258,86 0.487,87 2.525,88 47.041,89 15.107,90 53.116,91 22.869,92 0.661,93 2.494,94 49.022,95 15.173,96 64.267,97 23.232,98 0.574,99 2.412,100 48.262,101 17.434,102 63.588,103 25.51,104 11,105 64,106 0.235,107 0.563,108 0.743,109 0.816,110 0.831,111 0.831,112 3.765,113 0.936,114 -4.64,115 -4.56,116 -4.29,119 38.8,121 2,124 1,125 9,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 12,178 2,179 1,180 2,183 11,186 2,187 8,190 1,192 2,195 5,198 6,199 12,204 3,207 5,211 3,212 9,215 1,217 2,220 6,223 1,224 13,227 2,229 1,232 8,236 3,237 8,245 6,249 4,250 10,253 4,255 1,258 5,263 12,266 1,271 2,275 4364,276 29.3,277 29.3,278 29.3,279 29.3,280 29.3,281 26.661,282 38.614,283 17.836,284 30.166,285 23.266,286 23.266,287 23.266,288 23.266,289 23.266,290 19.191,291 52.453,292 8.548,293 24.56,294 4.772,295 2.604,296 1.419,297 0.938,298 0.834,299 0.834,300 4.483,306 1552,307 3.808,310 105.427,311 679.038,314 189.19,318 2.675,319 33.808,322 0.5,323 0.5,324 0.5,325 0.8,326 0.5,327 0.67,328 1,329 0.64,330 91,331 707,332 4.693,333 3.546,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.759,350 4,351 3.077,352 6.107,353 3.732,354 2.772,355 3.457,356 0.86,357 8.93,358 2.652,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.368,365 0.86,366 7.742,367 2.546,368 3.82,369 2.818,370 5.517,371 3.495,372 2.534,373 3.161,374 0.8,375 7.353,376 2.424,377 3.526,378 2.538,379 5.47,380 3.317,381 2.353,382 2.708,383 0.247,384 7.106,385 2.25,386 3.47,387 2.416,388 5.044,389 3.085,390 2.125,391 2.605,392 0.172,393 6.052,394 2.04,395 3.256,396 2.344,397 4.828,398 3.03,399 2.072,400 2.346,402 5.525,403 1.966,404 2.969,405 2.22,406 4.744,407 2.654,408 1.734,409 2.17,411 4.82,412 1.593,413 2.935,414 2.12,415 4.419,416 2.507,417 1.593,418 2.042,420 4.281,421 1.453,422 2.816,423 1.58,424 4.083,425 2.416,426 1.466,427 1.906,428 3.225,429 1.406,430 2.621,431 1.535,432 3.761,433 2.407,434 1.427,435 1.614,436 3.008,437 1.367,438 2.528,439 1.486,440 3.587,441 2.152,442 1.251,443 1.537,445 2.99,446 1.119,447 2.5,448 1.383,449 3.564,450 2.042,451 1.097,452 1.5,454 2.872,455 1.031,456 2.5,457 1.256,458 3.424,459 2,460 1,461 1.5,463 2.275,464 1,465 19.7,466 0.469,467 0.756,468 0.018,469 51.5,470 1.226,471 22.5,472 0.536,473 29,474 0.69,475 41.47,476 0.987,477 46.3,478 0.579,479 43.756,480 1.042,481 10.272,482 0.245,483 10.403,484 0.248,485 0.042,487 0.289,493 0.843,494 1.534,495 0.81,496 1.24,497 0.626,498 1.05,499 1.217,500 1.1,501 1.001,502 0.943,503 0.749,504 0.941,505 1.023,506 1.17,507 1.013,508 1.006,509 0.884,510 1.003,511 0.841,512 0.978,513 0.933,514 0.925,515 0.931,516 0.929,517 0.858,518 1.017,519 0.931,520 0.917,521 1.139,522 0.922,523 0.938,524 1.151,525 1.063,526 1.096,527 0.925,528 1.087,529 0.993,530 1.063,531 1.122,532 1.046,533 0.994,534 1.082,535 0.591,536 0.997,537 0.992,538 1.148,539 0.513,540 1.137,541 6.5,542 0.317,543 3.778,544 1.972,545 1.876,546 1.504,547 1.052,548 0.556,549 0.37,550 0.353,551 32460,552 78377,553 2.173,554 47.5,556 31,558 1,559 2,562 4,564 1.814,565 2.1,566 3.949,567 0.149,573 123.998,574 1.55,575 3.718,576 4.903,577 5.384,578 5.487,579 5.487,580 3.461,581 5.011,582 5.349,583 4.158,584 3580.09,585 9.482,586 65492.5,591 505.754,592 1.116,593 5.352,594 0.138,595 0.006,596 0.059,597 0.03,598 0.029,599 0.022,600 0.016,601 0.009,602 0.006,603 0.007,604 0.322,605 0.17,606 0.63,607 1.108,608 242.189,609 0.008,610 -0.262,611 0.083,612 -0.124,613 0.018,614 -0.027,615 -0.041,616 0.049,617 -0.025,618 0.058,619 0.042,620 0.018,621 -0.062,622 -0.097,623 -0.04,624 -0.019,625 -0.022,626 -0.028,627 0.006,628 0.06,629 0.045,630 0.037,631 0.004,632 0.045,633 0.043,634 0.03,635 0.042,636 0.069,637 -0.003,638 0.061,639 -0.084,640 -0.056,641 -0.107,642 -0.097,643 -0.083,644 -0.103,645 -0.078,646 0.005,647 -0.153,648 -0.063,649 -0.114,650 -0.106,651 0.132,652 0.016,653 -0.047,654 -0.112,655 0.119,656 -0.112,657 1.939,658 5.147,659 0.786,660 69.605,661 1.001,662 1.136,663 3.406,664 11.601,665 0.648,666 3.871,667 4.174,668 4.466,669 4.762,670 5.043,671 5.193,672 5.438,673 5.652,674 5.823,675 6.006,676 9.352,677 0.615,678 570.77,679 3.871,680 5.407,681 6.26,682 7.135,683 8.009,684 8.898,685 9.786,686 10.684,687 11.581,688 12.486,689 10,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 80,733 23,734 2,735 47,737 85,738 31,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 18,762 13,766 1,771 1,775 1,781 38,782 10,783 2,784 11,790 8,794 0.833,795 3,803 1,806 1,811 1,812 5,815 1,836 1,839 2,840 5,844 1,848 42,854 11,855 2,856 2,858 1,859 2,870 3.8,873 1,874 2,877 20,878 14.367,879 9.333,880 4.89,881 3.92,882 1.431,883 0.992,884 9.382,885 13.006,886 4.094,887 4.647,888 5.228,889 5.84,890 6.407,891 6.791,892 7.304,893 7.78,894 8.144,895 8.571,896 0.917,897 66,898 15.569,900 6.575,901 7.575,902 30.388,904 25.18,905 2.075,906 87.167,910 423.76,911 159.045,912 94.281,914 47.145,917 159.045,918 470.904,919 94.281,920 10.883,921 67.502,922 85.286,923 110.865,924 31.101,925 6.604,926 411.989,928 423.76,929 253.326,930 47.145,933 379.003,934 72.229,935 22,937 83.166,938 117.598,939 50.234,941 423.76,942 141.425,943 159.045,946 423.76,947 53.828,948 113.242,949 36.022,950 97.379,951 423.76,952 141.425,953 159.045,955 0.568,956 0.327,957 0.181,958 0.102,959 30,960 12,961 0.106,962 9,963 1,964 1.061,965 5.248,966 433.268,967 0.061,968 33,969 206.477,974 28.717,975 13.722,976 6.994,977 1.834,978 139.649,979 20.206,980 14.975,984 4.452,985 2.116,986 36.022,987 724.23,988 59,993 12.147,997 -0.272,999 80.05,1000 90.843,1001 0.245,1002 0.588,1003 0.776,1004 0.852,1005 0.868,1006 0.868,1007 5.33,1008 2.072,1009 6.217,1010 6.052,1011 4.86,1012 5.335,1013 2.418,1014 7.011,1015 4.762,1016 6.496,1017 1.734,1018 7.754,1019 5.525,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.781,1026 1.593,1027 9.395,1028 4.82,1029 6.425,1030 7.484,1031 2.694,1032 11.006,1033 6.236,1034 9.104,1035 1.466,1036 11.1,1037 4.281,1038 6.735,1039 8.098,1040 2.398,1041 12.759,1042 6.504,1043 10.467,1044 1.427,1045 12.85,1046 3.225,1047 8.28,1048 9.999,1049 3.34,1050 15.404,1051 8.001,1052 11.857,1053 1.251,1054 14.631,1055 3.008,1056 9.014,1057 11.066,1058 3.429,1059 17.536,1060 8.685,1061 13.269,1062 1.097,1063 16.435,1064 2.99,1065 10.314,1066 12.738,1067 4.185,1068 20.027,1069 9.938,1070 3.288,1071 1,1072 18.257,1073 2.872,1074 11.262,1075 14.037,1076 4.471,1077 22.327,1078 10.832,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.462,1084 15.615,1085 5.12,1086 24.772,1087 11.985,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 5.506,1095 27.148,1096 12.984,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.684,1102 18.573,1103 6.093,1104 29.584,1105 14.1,1106 2.534,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 6.532,1113 31.995,1114 15.154,1115 2.353,1116 7.353,1117 27.545,1118 3.368,1119 16.954,1120 21.577,1121 7.084,1122 34.432,1123 16.26,1124 2.125,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 7.551,1131 36.861,1132 17.344,1133 30254,1134 47178,1135 32.591,1136 51.83,1137 69.769,1138 70.896,1139 70.716,1140 69.452,1141 69.442,1142 86.886,1143 11.024,1144 194.541,1145 65.993,1146 5.693,1147 5.546,1148 6.814,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 13.589,1156 1.484,1157 1.508,1158 1.505,1159 1.478,1160 1.477,1161 1.849,1162 0.235,1163 4.139,1164 1.404,1165 4.144,1166 4.195,1167 4.118,1168 3.988,1169 7.431,1170 4.012,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.898,1178 3.935,1179 3.842,1180 3.803,1181 4.759,1182 3.808,1183 3.782,1184 3.839,1185 3.676,1186 3.626,1187 4.75,1188 3.628,1189 3.699,1190 3.757,1191 3.584,1192 3.485,1193 4.638,1194 3.501,1195 3.641,1196 3.7,1197 3.532,1198 3.393,1199 4.623,1200 3.416,1201 3.381,1202 3.432,1203 3.286,1204 3.118,1205 4.483,1206 3.151,1207 3.267,1208 3.338,1209 3.174,1210 3.054,1211 4.254,1212 3.061,1213 0.1,1214 0.075,1215 0.147,1216 0.09,1217 0.07,1218 4.693,1219 0.099,1220 3.546,1221 0.035,1222 6.903,1223 0.247,1224 4.237,1225 0.066,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.783,1245 1.988,1246 1.968,1247 1.14,1248 1.969,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.106,1254 1.955,1255 1.589,1256 1.537,1257 1.81,1258 1.848,1259 1.029,1260 1.836,1261 1.553,1262 1.493,1263 1.718,1264 1.773,1265 0.883,1266 1.763,1267 1.316,1268 1.238,1269 1.546,1270 1.601,1271 0.825,1272 1.57,1273 1.236,1274 1.183,1275 1.514,1276 1.566,1277 0.825,1278 1.548,1279 4.554,1281 5.861,1282 2.398,1283 7.367,1284 4.727,1285 8.965,1286 6.862,1287 10.614,1289 1.602,1295 8.825,1296 5.615,1297 10.603,1299 0.276,1300 4.788,1305 49.218,1306 123.998,1307 297.43,1308 392.231,1309 430.735,1310 438.999,1311 438.999,1312 66.173,1313 9.086,1314 109.67,1315 109.67,1316 35,1317 13.007,1318 4.585,1319 3.7,1320 61.552,1321 225,1322 312,1323 0.128,1324 297.914,1325 512.43,1326 718.671,1327 130045,1329 28.727,1330 0.684,1331 0.572,1332 28.727,1333 24.037,1334 20.674,1335 0.44,1336 0.312,1337 14.396,1338 19.685,1339 14.135,1340 11.623,1341 20.674,1342 14.662,1343 18,1344 0.281,1345 0.168,1346 18,1347 10.741,1348 15.371,1349 0.179,1350 0.092,1351 15.371,1352 7.889,1353 13.128,1354 0.113,1355 0.049,1356 13.128,1357 5.632,1358 11.014,1359 0.072,1360 0.026,1361 11.014,1362 4.049,1363 0.203,1364 130.687,1365 0.175,1366 37.743,1367 0.342,1368 222,1369 623.743,1370 246.486,1371 593.316,1372 820.21,1373 562,1374 261,1375 604.673,1376 287.101,1377 609.35,1378 896.23,1379 573,1380 6.397}
{0 CHEMBL1097898,1 1.509,2 16.977,3 2.919,4 8.519,5 168.438,6 6.95,7 0.458,8 4.527,9 4.666,10 4.046,11 4,12 5.527,13 3.981,14 5.11,15 5.317,16 4.391,17 4.406,18 6.061,19 4.363,20 5.363,21 5.597,22 4.439,23 4.578,24 6.246,25 4.491,26 5.469,27 5.744,28 4.432,29 4.594,30 6.325,31 4.488,32 5.404,33 5.658,34 4.456,35 4.591,36 6.318,37 4.503,38 5.382,39 5.615,40 4.471,41 4.605,42 6.305,43 4.521,44 5.41,45 5.649,46 4.4,47 4.594,48 6.321,49 4.496,50 5.39,51 5.642,52 4.349,53 4.601,54 6.241,55 4.47,56 0.067,57 1.325,58 19.218,59 7.042,60 11.525,61 10.391,62 0.56,63 2.109,64 37.343,65 11.245,66 40.665,67 17.327,68 0.543,69 2.544,70 48.701,71 15.15,72 49.09,73 23.527,74 0.671,75 2.664,76 55.621,77 16.737,78 63.887,79 26.478,80 0.662,81 2.567,82 51.56,83 15.713,84 68.465,85 24.556,86 0.494,87 2.603,88 49.419,89 15.521,90 55.612,91 23.969,92 0.74,93 2.575,94 51.731,95 15.382,96 72.063,97 24.003,98 0.572,99 2.512,100 49.979,101 17.921,102 61.099,103 26.706,104 16,105 66,106 0.227,107 0.549,108 0.735,109 0.813,110 0.818,111 0.818,112 3.788,113 0.948,114 -4.82,115 -4.73,116 -4.44,119 38.1,121 2,124 2,125 9,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 12,178 2,179 1,180 2,183 11,186 2,187 8,190 1,192 2,195 5,198 6,199 12,204 3,207 5,211 3,212 9,215 1,217 2,220 6,223 1,224 13,227 2,229 1,232 8,236 3,237 8,245 6,249 4,250 10,253 4,255 1,258 5,263 12,266 1,271 2,275 4658,276 29.584,277 29.584,278 29.584,279 29.584,280 29.584,281 26.945,282 40.039,283 17.801,284 30.37,285 23.784,286 23.784,287 23.784,288 23.784,289 23.784,290 19.708,291 55.688,292 8.575,293 25.031,294 4.883,295 2.74,296 1.498,297 0.979,298 0.947,299 0.947,300 4.503,306 1597,307 4.062,310 109.512,311 702.2,314 196.26,318 2.766,319 31.688,322 0.5,323 0.5,324 0.5,325 0.8,326 0.5,327 0.67,328 1,329 0.64,330 92.5,331 730,332 4.693,333 3.546,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.759,350 4,351 3.077,352 6.107,353 3.732,354 2.772,355 3.457,356 0.86,357 8.93,358 2.652,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.368,365 0.8,366 7.742,367 2.546,368 3.82,369 2.818,370 5.517,371 3.497,372 2.537,373 3.162,374 0.8,375 7.354,376 2.426,377 3.527,378 2.579,379 5.47,380 3.318,381 2.354,382 2.71,383 0.247,384 7.106,385 2.25,386 3.476,387 2.537,388 5.044,389 3.167,390 2.239,391 2.605,392 0.172,393 6.052,394 2.087,395 3.256,396 2.414,397 4.842,398 3.051,399 2.108,400 2.346,402 5.571,403 1.976,404 3.202,405 2.344,406 4.745,407 2.998,408 2.031,409 2.218,411 5.098,412 1.943,413 2.967,414 2.12,415 4.632,416 2.654,417 1.734,418 2.155,420 4.82,421 1.593,422 2.934,423 1.58,424 4.416,425 2.444,426 1.494,427 2.042,428 4.271,429 1.416,430 2.816,431 1.535,432 4.083,433 2.415,434 1.427,435 1.906,436 3.225,437 1.405,438 2.53,439 1.498,440 3.76,441 2.152,442 1.252,443 1.541,445 2.992,446 1.12,447 2.5,448 1.486,449 3.587,450 2.049,451 1.104,452 1.5,454 2.883,455 1.038,456 2.5,457 1.256,458 3.426,459 2,460 1.007,461 1.5,463 2.275,464 1,465 20.267,466 0.471,467 0.9,468 0.021,469 52.25,470 1.215,471 22.5,472 0.523,473 29.75,474 0.692,475 43.601,476 1.014,477 47.533,478 0.566,479 44.92,480 1.045,481 10.355,482 0.241,483 10.675,484 0.248,485 0.066,487 0.301,493 0.849,494 1.595,495 0.84,496 1.256,497 0.632,498 1.074,499 1.168,500 1.066,501 0.983,502 0.911,503 0.659,504 0.914,505 1.075,506 1.192,507 1.051,508 1.075,509 0.906,510 1.061,511 0.864,512 0.948,513 0.895,514 0.897,515 0.914,516 0.892,517 1.01,518 0.976,519 0.937,520 0.892,521 1.251,522 0.896,523 1.053,524 1.162,525 1.058,526 1.102,527 1.038,528 1.076,529 1.269,530 1.049,531 1.179,532 1.02,533 1.416,534 1.072,535 0.559,536 0.999,537 0.983,538 1.138,539 0.498,540 1.122,541 7.5,542 0.329,543 4,544 2.097,545 1.876,546 1.615,547 1.052,548 0.619,549 0.42,550 0.363,551 34815,552 78520,553 2.154,554 48.8,556 34,558 1,559 2,562 4,564 1.819,565 2.064,566 3.97,567 0.137,573 126.766,574 1.509,575 3.653,576 4.895,577 5.413,578 5.446,579 5.446,580 3.475,581 5.008,582 5.383,583 4.201,584 3793.38,585 9.548,586 71092.1,591 536.955,592 1.211,593 5.379,594 0.156,595 0.007,596 0.061,597 0.031,598 0.028,599 0.023,600 0.015,601 0.01,602 0.007,603 0.006,604 0.345,605 0.17,606 0.63,607 1.151,608 250.179,609 0.027,610 -0.302,611 0.085,612 -0.129,613 0.013,614 -0.033,615 0.002,616 0.103,617 0.008,618 0.084,619 0.093,620 0.051,621 -0.068,622 -0.114,623 -0.071,624 -0.072,625 -0.032,626 -0.075,627 0.041,628 0.053,629 0.095,630 0.064,631 0.035,632 0.083,633 -0.007,634 0.063,635 0.052,636 0.091,637 -0.061,638 0.083,639 -0.075,640 -0.07,641 -0.082,642 -0.098,643 -0.053,644 -0.09,645 -0.136,646 0.019,647 -0.184,648 -0.041,649 -0.194,650 -0.105,651 0.161,652 0.024,653 -0.035,654 -0.095,655 0.131,656 -0.095,657 1.888,658 5.291,659 0.767,660 73.402,661 0.997,662 1.137,663 3.594,664 12.915,665 0.645,666 3.892,667 4.205,668 4.477,669 4.771,670 5.05,671 5.204,672 5.442,673 5.659,674 5.829,675 6.011,676 9.627,677 0.608,678 583.82,679 3.892,680 5.434,681 6.282,682 7.159,683 8.029,684 8.917,685 9.802,686 10.699,687 11.593,688 12.497,689 10.7,692 2,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 84,733 23,734 2,735 48,737 89,738 32,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 18,762 14,766 1,771 1,775 1,781 41,782 10,783 2,784 11,790 9,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 2,839 1,840 5,844 2,848 43,854 11,855 2,856 1,858 1,859 3,870 2.4,873 1,874 1,877 20.833,878 15.4,879 9.417,880 5.14,881 3.928,882 1.43,883 0.992,884 9.614,885 13.06,886 4.111,887 4.666,888 5.233,889 5.843,890 6.408,891 6.794,892 7.304,893 7.782,894 8.146,895 8.573,896 0.917,897 67,898 15.952,900 6.726,901 7.539,902 31.267,904 25.943,905 2.039,906 87.667,910 459.073,911 162.468,912 97.405,914 36.145,917 162.468,918 495.218,919 97.405,920 16.793,921 65.015,922 85.286,923 99.865,924 34.226,925 6.604,926 447.302,928 459.073,929 259.873,930 36.145,933 414.316,934 72.229,935 11,937 83.803,938 123.508,939 50.234,941 459.073,942 133.55,943 162.468,946 459.073,947 51.342,948 122.276,949 36.022,950 86.379,951 459.073,952 133.55,953 162.468,955 0.574,956 0.323,957 0.176,958 0.099,959 31,960 13,961 0.101,962 9,963 1,964 1.061,965 5.314,966 445.419,967 0.061,968 33,969 215.329,974 29.672,975 13.932,976 7.403,977 1.848,978 131.773,979 20.312,980 15.018,984 4.51,985 2.123,986 36.022,987 755.091,988 60,993 12.291,997 -0.222,999 83.708,1000 95.547,1001 0.236,1002 0.571,1003 0.766,1004 0.847,1005 0.852,1006 0.852,1007 5.354,1008 2.108,1009 6.248,1010 6.052,1011 4.89,1012 5.354,1013 2.371,1014 7.04,1015 4.794,1016 6.524,1017 2.031,1018 7.786,1019 5.571,1020 4.369,1021 5.066,1022 1.494,1023 7.895,1024 4.222,1025 7.81,1026 1.734,1027 9.425,1028 5.098,1029 6.457,1030 7.495,1031 2.651,1032 11.02,1033 6.266,1034 9.131,1035 1.494,1036 11.127,1037 4.82,1038 6.781,1039 8.11,1040 2.426,1041 12.766,1042 6.539,1043 10.49,1044 1.427,1045 12.873,1046 4.271,1047 8.307,1048 10.004,1049 3.321,1050 15.409,1051 8.023,1052 11.876,1053 1.252,1054 14.649,1055 3.225,1056 9.041,1057 11.07,1058 3.436,1059 17.538,1060 8.704,1061 13.285,1062 1.104,1063 16.45,1064 2.992,1065 10.332,1066 12.74,1067 4.179,1068 20.028,1069 9.952,1070 3.288,1071 1.007,1072 18.269,1073 2.883,1074 11.277,1075 14.038,1076 4.472,1077 22.327,1078 10.842,1079 2.868,1080 11.616,1081 20.103,1082 2.275,1083 12.473,1084 15.615,1085 5.118,1086 24.772,1087 11.992,1088 2.772,1089 9.594,1090 21.95,1091 4.638,1092 13.527,1093 17.031,1094 5.506,1095 27.148,1096 12.989,1097 2.649,1098 8.93,1099 23.807,1100 3.796,1101 14.69,1102 18.573,1103 6.093,1104 29.584,1105 14.104,1106 2.537,1107 7.742,1108 25.673,1109 3.457,1110 15.799,1111 20.047,1112 6.532,1113 31.995,1114 15.157,1115 2.354,1116 7.354,1117 27.547,1118 3.368,1119 16.957,1120 21.577,1121 7.084,1122 34.432,1123 16.263,1124 2.239,1125 7.106,1126 29.428,1127 3.162,1128 18.096,1129 23.08,1130 7.551,1131 36.861,1132 17.346,1133 32521,1134 49027,1135 32.997,1136 54.143,1137 71.846,1138 72.47,1139 72.379,1140 71.424,1141 71.361,1142 88.809,1143 10.904,1144 200.809,1145 67.944,1146 5.693,1147 5.546,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 16.935,1156 1.497,1157 1.51,1158 1.508,1159 1.488,1160 1.487,1161 1.85,1162 0.227,1163 4.184,1164 1.415,1165 4.144,1166 4.196,1167 4.118,1168 3.988,1169 7.431,1170 4.012,1171 3.931,1172 3.973,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.899,1178 3.938,1179 3.843,1180 3.803,1181 4.758,1182 3.808,1183 3.783,1184 3.839,1185 3.676,1186 3.626,1187 4.75,1188 3.628,1189 3.72,1190 3.796,1191 3.599,1192 3.495,1193 4.623,1194 3.51,1195 3.681,1196 3.744,1197 3.56,1198 3.467,1199 4.486,1200 3.48,1201 3.463,1202 3.533,1203 3.371,1204 3.18,1205 4.351,1206 3.219,1207 3.283,1208 3.359,1209 3.2,1210 3.075,1211 4.254,1212 3.084,1213 0.098,1214 0.074,1215 0.144,1216 0.088,1217 0.069,1218 4.693,1219 0.097,1220 3.546,1221 0.035,1222 6.903,1223 0.242,1224 4.237,1225 0.065,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.03,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.784,1245 1.988,1246 1.972,1247 1.14,1248 1.97,1249 1.77,1250 1.719,1251 1.933,1252 1.95,1253 1.128,1254 1.956,1255 1.65,1256 1.569,1257 1.9,1258 1.904,1259 1.101,1260 1.909,1261 1.582,1262 1.531,1263 1.72,1264 1.788,1265 0.883,1266 1.772,1267 1.347,1268 1.272,1269 1.626,1270 1.65,1271 0.825,1272 1.639,1273 1.315,1274 1.235,1275 1.514,1276 1.6,1277 0.825,1278 1.57,1279 4.575,1281 5.889,1282 2.398,1283 7.394,1284 4.727,1285 8.988,1286 6.862,1287 10.633,1289 3.954,1295 9.316,1296 5.781,1297 5.63,1299 0.28,1300 6.826,1305 51.051,1306 126.766,1307 306.815,1308 411.141,1309 454.69,1310 457.445,1311 457.445,1312 68.949,1313 9.133,1314 103.68,1315 103.68,1316 35,1317 13.019,1318 4.585,1319 3.7,1320 63.808,1321 238,1322 301,1323 0.125,1324 310.305,1325 531.94,1326 748.904,1327 138731,1329 29.597,1330 0.688,1331 0.583,1332 29.597,1333 25.076,1334 21.03,1335 0.438,1336 0.316,1337 14.917,1338 20.088,1339 14.574,1340 12.042,1341 21.03,1342 15.176,1343 18.829,1344 0.285,1345 0.175,1346 18.829,1347 11.551,1348 15.549,1349 0.179,1350 0.094,1351 15.549,1352 8.142,1353 13.26,1354 0.113,1355 0.049,1356 13.26,1357 5.758,1358 11.06,1359 0.071,1360 0.027,1361 11.06,1362 4.115,1363 0.2,1364 132.397,1365 0.174,1366 38.525,1367 0.334,1368 228,1369 605.653,1370 251.687,1371 583.951,1372 811.07,1373 552,1374 267,1375 605.354,1376 292.912,1377 612.425,1378 899.03,1379 575,1380 7.538}
{0 CHEMBL1097899,1 1.495,2 17.778,3 2.891,4 8.357,5 175.87,6 6.93,7 0.431,8 4.578,9 4.716,10 4.1,11 4.066,12 5.552,13 4.044,14 5.178,15 5.379,16 4.462,17 4.493,18 6.106,19 4.445,20 5.467,21 5.707,22 4.511,23 4.672,24 6.311,25 4.578,26 5.554,27 5.831,28 4.486,29 4.676,30 6.389,31 4.56,32 5.482,33 5.741,34 4.501,35 4.643,36 6.385,37 4.551,38 5.426,39 5.658,40 4.5,41 4.642,42 6.354,43 4.558,44 5.433,45 5.673,46 4.459,47 4.656,48 6.302,49 4.553,50 5.455,51 5.699,52 4.392,53 4.666,54 6.325,55 4.533,56 0.075,57 1.395,58 20.252,59 7.593,60 11.07,61 11.088,62 0.548,63 2.281,64 39.716,65 12.5,66 40.026,67 18.994,68 0.58,69 2.808,70 54.226,71 16.857,72 51.215,73 26.235,74 0.725,75 2.902,76 60.545,77 18.683,78 62.371,79 29.22,80 0.629,81 2.723,82 56.05,83 17.225,84 71.859,85 26.707,86 0.696,87 2.713,88 52.148,89 15.911,90 66.17,91 24.416,92 0.609,93 2.7,94 52.221,95 16.852,96 55.879,97 25.963,98 0.631,99 2.685,100 53.306,101 19.204,102 70.801,103 28.309,104 5,105 71,106 0.222,107 0.54,108 0.718,109 0.789,110 0.82,111 0.82,112 3.832,113 0.959,114 -5.19,115 -5.08,116 -4.76,119 38.6,121 4,124 1,125 9,127 2,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 14,178 2,179 1,180 4,183 12,186 2,187 8,192 2,195 5,198 6,199 14,202 1,204 5,207 5,211 2,212 9,217 2,220 6,223 2,224 13,227 3,229 1,232 12,236 3,237 6,245 10,249 4,250 10,253 4,255 1,258 7,263 13,266 1,271 2,275 5212,276 31.187,277 31.187,278 31.187,279 31.187,280 31.187,281 28.547,282 45.245,283 18.601,284 31.964,285 25.267,286 25.267,287 25.267,288 25.267,289 25.267,290 21.201,291 68.706,292 8.967,293 26.52,294 4.964,295 2.828,296 1.626,297 1.154,298 0.94,299 0.94,300 4.556,306 1788,307 3.536,310 115.041,311 907.402,314 205.568,318 2.83,319 34.128,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 96.5,331 800,332 4.693,333 3.562,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.825,345 2.869,346 3.796,347 0.916,348 9.594,349 2.761,350 4.001,351 3.077,352 6.107,353 3.738,354 2.779,355 3.457,356 0.86,357 8.931,358 2.655,359 3.93,360 2.948,361 5.637,362 3.639,363 2.679,364 3.368,365 0.8,366 7.743,367 2.57,368 3.853,369 2.826,370 5.582,371 3.606,372 2.649,373 3.167,374 0.8,375 7.673,376 2.543,377 3.637,378 2.797,379 5.516,380 3.424,381 2.47,382 2.808,383 0.247,384 7.127,385 2.353,386 3.523,387 2.539,388 5.361,389 3.315,390 2.351,391 2.605,392 0.172,393 7.01,394 2.249,395 3.397,396 2.421,397 5.044,398 3.113,399 2.17,400 2.481,402 6.052,403 2.043,404 3.256,405 2.349,406 4.96,407 3.039,408 2.096,409 2.345,411 5.888,412 1.969,413 3.007,414 2.284,415 4.746,416 2.788,417 1.809,418 2.176,420 4.92,421 1.753,422 2.945,423 2.12,424 4.611,425 2.653,426 1.734,427 2.044,428 4.818,429 1.593,430 2.911,431 1.58,432 4.395,433 2.429,434 1.472,435 1.951,436 4.214,437 1.408,438 2.815,439 1.535,440 4.083,441 2.414,442 1.427,443 1.903,445 3.225,446 1.4,447 2.529,448 1.486,449 3.759,450 2.152,451 1.251,452 1.539,454 2.992,455 1.119,456 2.5,457 1.256,458 3.587,459 2.041,460 1.096,461 1.5,463 2.88,464 1.031,465 21.267,466 0.473,467 0.93,468 0.021,469 53.75,470 1.194,471 22.5,472 0.5,473 31.25,474 0.694,475 47.877,476 1.064,477 49.533,478 0.563,479 45.535,480 1.012,481 10.289,482 0.229,483 11.797,484 0.262,485 0.039,487 0.31,493 0.84,494 1.55,495 0.837,496 1.228,497 0.613,498 1.059,499 1.123,500 1.132,501 0.994,502 0.979,503 0.639,504 0.966,505 1.094,506 1.18,507 1.051,508 1.052,509 0.872,510 1.043,511 0.846,512 0.934,513 0.921,514 0.924,515 0.888,516 0.922,517 1.108,518 1.011,519 0.911,520 0.895,521 1.523,522 0.878,523 1.255,524 1.046,525 1.124,526 1.008,527 1.488,528 1.037,529 0.949,530 1.084,531 1.075,532 1.066,533 0.768,534 1.074,535 0.713,536 1.032,537 1.071,538 1.179,539 0.888,540 1.178,541 8,542 0.305,543 4.222,544 2.222,545 2.138,546 1.622,547 1.234,548 0.537,549 0.419,550 0.43,551 41598,552 88743,553 2.2,554 48.9,556 32,558 1,559 2,562 8,564 1.829,565 2.126,566 4.031,567 0.115,573 131.598,574 1.495,575 3.632,576 4.834,577 5.306,578 5.519,579 5.519,580 3.586,581 4.942,582 5.452,583 4.253,584 4210.45,585 9.678,586 81833.1,591 568.43,592 1.132,593 5.451,594 0.157,595 0.006,596 0.059,597 0.031,598 0.031,599 0.023,600 0.017,601 0.008,602 0.007,603 0.007,604 0.346,605 0.17,606 0.63,607 0.322,608 265.583,609 0.031,610 -0.266,611 0.09,612 -0.105,613 0.03,614 -0.018,615 0.02,616 0.04,617 -0.008,618 0.029,619 0.102,620 0.008,621 -0.088,622 -0.115,623 -0.067,624 -0.06,625 -0.023,626 -0.062,627 0.056,628 0.065,629 0.069,630 0.036,631 0.044,632 0.052,633 -0.039,634 -0.005,635 0.087,636 0.083,637 -0.078,638 0.1,639 -0.106,640 0.048,641 -0.127,642 -0.03,643 -0.167,644 -0.073,645 -0.024,646 -0.013,647 -0.102,648 -0.061,649 -0.034,650 -0.083,651 0.107,652 -0.006,653 -0.114,654 -0.141,655 0.035,656 -0.158,657 1.83,658 5.664,659 0.867,660 77.039,661 0.995,662 1.136,663 3.962,664 15.701,665 0.647,666 3.951,667 4.277,668 4.564,669 4.86,670 5.142,671 5.263,672 5.501,673 5.7,674 5.875,675 6.064,676 9.979,677 0.609,678 609.86,679 3.951,680 5.501,681 6.358,682 7.238,683 8.112,684 9,685 9.885,686 10.78,687 11.673,688 12.573,689 10.2,692 2,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 88,733 23,734 2,735 51,737 94,738 34,739 17,740 3,741 9,746 7,747 8,751 1,755 6,758 6,761 18,762 16,766 1,771 1,775 1,781 43,782 10,783 2,784 11,790 9,794 0.857,795 2,803 1,806 1,811 1,812 6,815 1,836 2,839 1,840 6,844 1,848 45,854 13,855 2,856 1,858 2,859 3,870 2.3,873 1,874 1,877 21.167,878 15.733,879 9.75,880 5.582,881 3.971,882 1.42,883 1.003,884 9.378,885 13.414,886 4.159,887 4.712,888 5.275,889 5.877,890 6.434,891 6.808,892 7.319,893 7.791,894 8.156,895 8.587,896 1,897 72,898 16.741,900 7.188,901 7.5,902 33.059,904 28.133,905 2,906 90,910 482.615,911 159.141,912 97.405,914 36.145,917 159.141,918 518.76,919 97.405,920 8.396,921 70.084,922 85.286,923 99.865,924 34.226,925 6.604,926 470.844,928 482.615,929 256.546,930 36.145,933 390.774,934 119.314,935 11,937 88.872,938 115.112,939 50.234,941 482.615,942 133.55,943 159.141,946 482.615,947 56.411,948 113.88,949 36.022,950 86.379,951 482.615,952 133.55,953 159.141,955 0.579,956 0.333,957 0.184,958 0.105,959 35,960 14,961 0.074,962 7,963 1,964 1.051,965 5.526,966 481.785,967 0.051,968 39,969 227.133,974 30.274,975 13.939,976 7.214,977 1.86,978 131.773,979 20.447,980 15.089,984 4.566,985 2.133,986 36.022,987 775.306,988 63,993 12.664,997 -0.164,999 87.592,1000 99.962,1001 0.232,1002 0.562,1003 0.748,1004 0.821,1005 0.854,1006 0.854,1007 5.414,1008 2.17,1009 6.326,1010 7.01,1011 4.963,1012 5.4,1013 2.371,1014 7.122,1015 4.87,1016 6.58,1017 2.096,1018 7.867,1019 6.052,1020 4.443,1021 5.103,1022 1.494,1023 7.966,1024 4.299,1025 7.865,1026 1.809,1027 9.506,1028 5.888,1029 6.538,1030 7.525,1031 2.651,1032 11.088,1033 6.353,1034 9.184,1035 1.734,1036 11.205,1037 4.92,1038 6.858,1039 8.131,1040 2.426,1041 12.813,1042 6.619,1043 10.54,1044 1.472,1045 12.946,1046 4.818,1047 8.387,1048 10.019,1049 3.321,1050 15.451,1051 8.108,1052 11.922,1053 1.427,1054 14.717,1055 4.214,1056 9.113,1057 11.08,1058 3.436,1059 17.565,1060 8.779,1061 13.327,1062 1.251,1063 16.511,1064 3.225,1065 10.405,1066 12.747,1067 4.179,1068 20.05,1069 10.029,1070 3.288,1071 1.096,1072 18.324,1073 2.992,1074 11.341,1075 14.043,1076 4.472,1077 22.341,1078 10.908,1079 2.869,1080 11.616,1081 20.151,1082 2.88,1083 12.535,1084 15.618,1085 5.118,1086 24.783,1087 12.057,1088 2.779,1089 9.594,1090 21.992,1091 4.638,1092 13.579,1093 17.033,1094 5.506,1095 27.154,1096 13.044,1097 2.679,1098 8.931,1099 23.843,1100 3.796,1101 14.739,1102 18.574,1103 6.093,1104 29.588,1105 14.156,1106 2.649,1107 7.743,1108 25.704,1109 3.457,1110 15.841,1111 20.048,1112 6.532,1113 31.998,1114 15.201,1115 2.47,1116 7.673,1117 27.574,1118 3.368,1119 16.994,1120 21.578,1121 7.084,1122 34.434,1123 16.303,1124 2.351,1125 7.127,1126 29.45,1127 3.167,1128 18.128,1129 23.081,1130 7.551,1131 36.863,1132 17.38,1133 37823,1134 55483,1135 35.482,1136 56.904,1137 76.523,1138 77.529,1139 77.188,1140 76.294,1141 76.257,1142 93.708,1143 10.904,1144 216.813,1145 72.786,1146 5.693,1147 5.562,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 13.996,1156 1.5,1157 1.52,1158 1.513,1159 1.496,1160 1.495,1161 1.837,1162 0.214,1163 4.251,1164 1.427,1165 4.145,1166 4.197,1167 4.119,1168 3.99,1169 7.431,1170 4.013,1171 3.932,1172 3.974,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.915,1178 3.966,1179 3.851,1180 3.804,1181 4.759,1182 3.811,1183 3.848,1184 3.9,1185 3.738,1186 3.7,1187 4.75,1188 3.7,1189 3.782,1190 3.839,1191 3.674,1192 3.625,1193 4.623,1194 3.627,1195 3.69,1196 3.749,1197 3.574,1198 3.482,1199 4.488,1200 3.497,1201 3.469,1202 3.533,1203 3.402,1204 3.186,1205 4.386,1206 3.231,1207 3.286,1208 3.364,1209 3.204,1210 3.076,1211 4.254,1212 3.087,1213 0.092,1214 0.07,1215 0.135,1216 0.083,1217 0.064,1218 4.693,1219 0.091,1220 3.562,1221 0.032,1222 6.903,1223 0.228,1224 4.237,1225 0.061,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.108,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.047,1240 2.052,1241 1.399,1242 2.054,1243 1.839,1244 1.788,1245 2.025,1246 2.031,1247 1.22,1248 2.035,1249 1.82,1250 1.763,1251 1.987,1252 1.956,1253 1.14,1254 1.966,1255 1.769,1256 1.718,1257 1.932,1258 1.95,1259 1.104,1260 1.952,1261 1.583,1262 1.534,1263 1.72,1264 1.791,1265 0.883,1266 1.773,1267 1.339,1268 1.27,1269 1.611,1270 1.64,1271 0.825,1272 1.623,1273 1.315,1274 1.235,1275 1.514,1276 1.6,1277 0.825,1278 1.57,1279 4.635,1281 5.958,1282 2.398,1283 7.476,1284 4.727,1285 9.078,1286 6.862,1287 10.727,1289 2.119,1295 11.93,1296 6.111,1297 5.646,1299 0.49,1300 7.108,1305 53.578,1306 131.598,1307 319.592,1308 425.371,1309 466.92,1310 485.675,1311 485.675,1312 71.026,1313 9.443,1314 103.68,1315 103.68,1316 41,1317 13.097,1318 4.585,1319 3.7,1320 62.265,1321 260,1322 324,1323 0.111,1324 322.096,1325 554.18,1326 777.674,1327 210353,1329 30.589,1330 0.68,1331 0.579,1332 30.589,1333 26.068,1334 22.086,1335 0.433,1336 0.32,1337 16.044,1338 21.156,1339 15.742,1340 12.931,1341 22.086,1342 16.296,1343 19.866,1344 0.28,1345 0.177,1346 19.866,1347 12.543,1348 16.942,1349 0.178,1350 0.098,1351 16.942,1352 9.351,1353 14.497,1354 0.113,1355 0.052,1356 14.497,1357 6.695,1358 12.322,1359 0.072,1360 0.029,1361 12.322,1362 4.948,1363 0.178,1364 138.6,1365 0.168,1366 40.003,1367 0.294,1368 244,1369 621.653,1370 268.354,1371 599.716,1372 838.31,1373 568,1374 288,1375 630.988,1376 314.55,1377 636.25,1378 938.12,1379 600,1380 6.15}
{0 CHEMBL1097900,1 1.508,2 17.045,3 4.357,4 18.98,5 170.196,6 7.36,7 0.56,8 4.491,9 4.619,10 4.065,11 4.022,12 5.535,13 4.007,14 5.051,15 5.23,16 4.421,17 4.427,18 6.063,19 4.388,20 5.327,21 5.553,22 4.465,23 4.573,24 6.245,25 4.497,26 5.384,27 5.64,28 4.45,29 4.57,30 6.3,31 4.481,32 5.348,33 5.583,34 4.474,35 4.579,36 6.315,37 4.504,38 5.349,39 5.573,40 4.472,41 4.6,42 6.296,43 4.522,44 5.356,45 5.588,46 4.418,47 4.604,48 6.254,49 4.508,50 5.36,51 5.597,52 4.357,53 4.612,54 6.242,55 4.484,56 0.056,57 1.258,58 16.68,59 6.896,60 11.025,61 9.362,62 0.438,63 2.065,64 32.298,65 11.437,66 37.916,67 15.964,68 0.487,69 2.549,70 45.377,71 15.019,72 50.292,73 21.845,74 0.57,75 2.652,76 49.527,77 16.049,78 59.911,79 23.845,80 0.506,81 2.547,82 46.995,83 15.58,84 67.885,85 22.626,86 0.515,87 2.611,88 46.197,89 15.307,90 58.866,91 22.046,92 0.594,93 2.586,94 46.864,95 15.742,96 56.588,97 22.981,98 0.519,99 2.546,100 46.86,101 18.074,102 61.6,103 25.832,104 2,105 69,106 0.227,107 0.55,108 0.693,109 0.781,110 0.814,111 0.822,112 3.81,113 0.916,114 -5.97,115 -5.83,116 -5.42,119 42.5,121 2,125 7,127 1,142 14,143 3,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 14,174 3,175 12,178 2,179 1,180 4,183 15,186 2,187 8,192 4,195 7,198 6,199 14,204 6,207 5,211 2,212 11,217 4,220 6,223 1,224 14,227 2,229 2,232 12,236 3,237 6,245 14,249 4,250 8,253 4,255 1,258 13,263 11,266 1,271 6,275 4832,276 30.739,277 30.739,278 30.739,279 30.739,280 30.739,281 27.349,282 38.729,283 18.515,284 31.401,285 24.801,286 24.801,287 24.801,288 24.801,289 24.801,290 19.707,291 56.421,292 8.932,293 25.883,294 4.814,295 2.658,296 1.71,297 1.119,298 0.9,299 0.85,300 4.537,306 1681,307 3.464,310 110.907,311 880.037,314 198.397,318 2.783,319 31.964,322 0.5,323 0.33,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.67,330 94,331 750,332 4.693,333 3.562,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.186,342 3.38,343 6.329,344 3.825,345 2.868,346 3.797,347 0.916,348 9.594,349 2.761,350 4.01,351 3.077,352 6.107,353 3.737,354 2.777,355 3.48,356 0.86,357 8.931,358 2.655,359 3.962,360 2.948,361 5.637,362 3.611,363 2.649,364 3.457,365 0.8,366 7.742,367 2.554,368 3.928,369 2.82,370 5.568,371 3.603,372 2.643,373 3.363,374 0.247,375 7.635,376 2.538,377 3.757,378 2.561,379 5.516,380 3.376,381 2.411,382 3.146,383 0.172,384 7.12,385 2.323,386 3.524,387 2.522,388 5.323,389 3.311,390 2.344,391 2.656,393 6.917,394 2.247,395 3.404,396 2.406,397 5.044,398 3.047,399 2.103,400 2.604,402 6.052,403 1.977,404 3.256,405 2.341,406 4.747,407 2.945,408 1.949,409 2.345,411 5.114,412 1.927,413 2.971,414 2.12,415 4.675,416 2.654,417 1.734,418 2.177,420 4.819,421 1.593,422 2.936,423 1.58,424 4.404,425 2.457,426 1.5,427 2.044,428 4.241,429 1.433,430 2.843,431 1.535,432 4.083,433 2.415,434 1.427,435 1.974,436 3.225,437 1.406,438 2.815,439 1.519,440 3.76,441 2.364,442 1.374,443 1.904,445 2.998,446 1.354,447 2.529,448 1.486,449 3.587,450 2.152,451 1.251,452 1.539,454 2.988,455 1.119,456 2.5,457 1.256,458 3.569,459 2.041,460 1.095,461 1.5,463 2.875,464 1.03,465 20.867,466 0.474,467 0.824,468 0.019,469 59,470 1.341,471 29,472 0.659,473 30,474 0.682,475 40.833,476 0.928,477 46.333,478 0.579,479 49.262,480 1.12,481 11.596,482 0.264,483 10.096,484 0.229,485 0.016,487 0.297,493 0.821,494 1.386,495 0.78,496 1.107,497 0.616,498 0.962,499 1.048,500 1.143,501 0.967,502 1.004,503 0.653,504 0.979,505 1.121,506 1.172,507 1.027,508 1.015,509 0.894,510 1.006,511 0.88,512 0.975,513 0.934,514 0.929,515 0.803,516 0.925,517 1.101,518 1.045,519 0.957,520 0.937,521 1.34,522 0.923,523 1.179,524 1.074,525 1.101,526 1.024,527 1.202,528 1.039,529 1.003,530 1.018,531 1.112,532 1.012,533 0.799,534 1.054,535 0.545,536 0.99,537 1.035,538 1.162,539 0.521,540 1.165,541 7,542 0.296,543 3.778,544 2.16,545 1.947,546 1.566,547 1.152,548 0.513,549 0.37,550 0.39,551 39035,552 91033,553 2.219,554 45,556 29,558 1,559 2,562 4,564 1.824,565 2.164,566 3.98,567 0.103,573 120.663,574 1.508,575 3.664,576 4.612,577 5.203,578 5.422,579 5.472,580 3.468,581 4.869,582 5.42,583 4.205,584 3978.34,585 9.616,586 75693.6,591 505.754,592 1.021,593 5.426,594 0.14,595 0.006,596 0.055,597 0.031,598 0.029,599 0.022,600 0.016,601 0.008,602 0.006,603 0.007,604 0.319,605 0.17,606 0.63,607 0.248,608 257.519,609 0.02,610 -0.19,611 0.079,612 -0.072,613 0.007,614 -0.004,615 0.058,616 -0.008,617 -0.031,618 -0.028,619 0.083,620 -0.045,621 -0.085,622 -0.122,623 -0.051,624 -0.05,625 -0.023,626 -0.049,627 0.042,628 0.052,629 0.06,630 0.021,631 0.078,632 0.041,633 -0.055,634 -0.018,635 0.029,636 0.032,637 -0.056,638 0.042,639 -0.128,640 -0.008,641 -0.128,642 -0.065,643 -0.129,644 -0.09,645 -0.057,646 0.03,647 -0.142,648 -0.043,649 -0.083,650 -0.09,651 0.165,652 0.003,653 -0.086,654 -0.144,655 0.107,656 -0.151,657 1.963,658 5.498,659 0.886,660 73.702,661 0.998,662 1.128,663 4.744,664 22.504,665 0.67,666 3.932,667 4.248,668 4.543,669 4.844,670 5.118,671 5.242,672 5.485,673 5.694,674 5.864,675 6.054,676 9.704,677 0.637,678 588.78,679 3.932,680 5.476,681 6.333,682 7.212,683 8.085,684 8.974,685 9.859,686 10.754,687 11.647,688 12.549,689 10,692 1,695 1,696 2,697 1,699 3,703 2,704 15,705 3,709 6,710 1,711 28,726 1,731 80,733 29,734 3,735 50,737 86,738 34,739 23,740 4,741 14,746 7,747 8,751 1,755 3,758 3,761 24,762 10,766 1,771 1,775 1,781 36,782 9,783 2,784 10,790 8,794 0.857,795 2,803 1,806 1,811 1,812 6,815 1,836 1,839 1,840 6,848 44,854 9,855 2,856 1,858 1,859 2,870 2.5,873 1,874 1,877 20.333,878 14.117,879 9.583,880 4.939,881 4.746,882 1.506,883 1.024,884 8.62,885 14.12,886 4.19,887 4.769,888 5.352,889 5.964,890 6.522,891 6.848,892 7.35,893 7.822,894 8.181,895 8.619,896 0.917,897 70,898 16.301,900 6.996,901 7.553,902 31.823,904 26.768,905 2.053,906 90.333,910 400.217,911 191.602,912 94.281,914 36.145,917 191.602,918 436.362,919 94.281,921 60.804,922 132.667,923 99.865,924 33.858,925 6.604,926 388.446,928 400.217,929 285.883,930 36.145,933 355.461,934 72.229,935 11,937 76.467,938 156.853,939 50.234,941 400.217,942 130.426,943 191.602,946 400.217,947 49.887,948 149.74,949 36.022,950 86.379,951 400.217,952 130.426,953 191.602,955 0.575,956 0.333,957 0.187,958 0.105,959 34,960 13,961 0.081,962 7,963 1,964 1.051,965 5.467,966 468.67,967 0.051,968 39,969 216.215,974 28.63,975 13.247,976 6.695,977 1.834,978 128.649,979 29.621,980 15.027,984 5.177,985 2.119,986 36.022,987 722.245,988 65,993 12.498,997 -0.296,999 79.839,1000 90.218,1001 0.239,1002 0.58,1003 0.729,1004 0.823,1005 0.858,1006 0.866,1007 5.425,1008 2.103,1009 6.293,1010 6.917,1011 4.934,1012 5.457,1013 2.277,1014 7.088,1015 4.851,1016 6.602,1017 1.949,1018 7.83,1019 6.052,1020 4.369,1021 5.112,1022 1.404,1023 7.928,1024 4.237,1025 7.889,1026 1.734,1027 9.468,1028 5.114,1029 6.503,1030 7.615,1031 2.617,1032 11.063,1033 6.332,1034 9.212,1035 1.5,1036 11.168,1037 4.819,1038 6.804,1039 8.169,1040 2.398,1041 12.797,1042 6.577,1043 10.571,1044 1.427,1045 12.912,1046 4.241,1047 8.353,1048 10.108,1049 3.311,1050 15.438,1051 8.09,1052 11.956,1053 1.374,1054 14.687,1055 3.225,1056 9.074,1057 11.122,1058 3.429,1059 17.558,1060 8.75,1061 13.363,1062 1.251,1063 16.485,1064 2.998,1065 10.376,1066 12.816,1067 4.176,1068 20.044,1069 10.014,1070 3.288,1071 1.095,1072 18.302,1073 2.988,1074 11.311,1075 14.078,1076 4.471,1077 22.338,1078 10.888,1079 2.868,1080 11.616,1081 20.133,1082 2.875,1083 12.511,1084 15.665,1085 5.117,1086 24.78,1087 12.044,1088 2.777,1089 9.594,1090 21.977,1091 4.638,1092 13.557,1093 17.059,1094 5.506,1095 27.153,1096 13.03,1097 2.649,1098 8.931,1099 23.831,1100 3.797,1101 14.721,1102 18.603,1103 6.093,1104 29.587,1105 14.146,1106 2.643,1107 7.742,1108 25.694,1109 3.48,1110 15.825,1111 20.065,1112 6.532,1113 31.997,1114 15.19,1115 2.411,1116 7.635,1117 27.566,1118 3.457,1119 16.981,1120 21.595,1121 7.084,1122 34.434,1123 16.295,1124 2.344,1125 7.12,1126 29.444,1127 3.363,1128 18.116,1129 23.091,1130 7.551,1131 36.863,1132 17.372,1133 35360,1134 54238,1135 35.076,1136 53.614,1137 74.92,1138 75.832,1139 75.104,1140 74.569,1141 74.556,1142 96.162,1143 9.304,1144 210.32,1145 71.536,1146 5.693,1147 5.562,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 9.418,1156 1.498,1157 1.517,1158 1.502,1159 1.491,1160 1.491,1161 1.923,1162 0.186,1163 4.206,1164 1.431,1165 4.145,1166 4.196,1167 4.119,1168 3.99,1169 7.431,1170 4.014,1171 3.932,1172 3.973,1173 3.869,1174 3.856,1175 5.136,1176 3.851,1177 3.925,1178 3.964,1179 3.854,1180 3.828,1181 4.784,1182 3.831,1183 3.865,1184 3.899,1185 3.8,1186 3.794,1187 4.751,1188 3.793,1189 3.782,1190 3.838,1191 3.675,1192 3.626,1193 4.741,1194 3.627,1195 3.691,1196 3.749,1197 3.575,1198 3.483,1199 4.623,1200 3.498,1201 3.437,1202 3.485,1203 3.388,1204 3.172,1205 4.482,1206 3.22,1207 3.268,1208 3.338,1209 3.192,1210 3.067,1211 4.254,1212 3.076,1213 0.094,1214 0.071,1215 0.138,1216 0.085,1217 0.066,1218 4.693,1219 0.093,1220 3.562,1221 0.033,1222 6.903,1223 0.232,1224 4.237,1225 0.062,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.959,1232 1.926,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.926,1238 1.891,1239 2.032,1240 2.049,1241 1.22,1242 2.049,1243 1.886,1244 1.854,1245 2.008,1246 2,1247 1.14,1248 2.001,1249 1.826,1250 1.782,1251 1.986,1252 1.95,1253 1.106,1254 1.964,1255 1.769,1256 1.718,1257 1.931,1258 1.947,1259 1.06,1260 1.949,1261 1.583,1262 1.534,1263 1.719,1264 1.787,1265 0.883,1266 1.771,1267 1.317,1268 1.244,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.274,1274 1.224,1275 1.513,1276 1.566,1277 0.825,1278 1.523,1279 4.615,1281 5.932,1282 2.398,1283 7.447,1284 4.727,1285 9.048,1286 6.862,1287 10.697,1295 7.91,1296 5.744,1297 5.633,1299 0.273,1300 4.794,1305 50.976,1306 120.663,1307 293.137,1308 368.942,1309 416.244,1310 433.754,1311 437.754,1312 64.355,1313 9.374,1314 100.44,1315 100.44,1316 41,1317 13.072,1318 4.907,1319 4,1320 60.183,1321 248,1322 292,1323 0.113,1324 306.52,1325 524.36,1326 739.668,1327 192122,1329 29.719,1330 0.675,1331 0.559,1332 29.719,1333 24.601,1334 21.692,1335 0.434,1336 0.305,1337 15.057,1338 20.876,1339 14.811,1340 12.179,1341 21.692,1342 15.272,1343 19.244,1344 0.279,1345 0.164,1346 19.244,1347 11.312,1348 16.531,1349 0.178,1350 0.09,1351 16.531,1352 8.329,1353 14.355,1354 0.114,1355 0.048,1356 14.355,1357 6.005,1358 12.031,1359 0.072,1360 0.026,1361 12.031,1362 4.314,1363 0.181,1364 135.54,1365 0.169,1366 39.245,1367 0.301,1368 238,1369 628.007,1370 260.605,1371 610.756,1372 856.5,1373 578,1374 281,1375 648.509,1376 305.385,1377 654.74,1378 963.91,1379 619,1380 7.783}
{0 CHEMBL1097901,1 1.538,2 17.045,3 3.206,4 10.278,5 168.04,6 7.465,7 0.56,8 4.484,9 4.613,10 4.069,11 4.001,12 5.543,13 3.993,14 5.043,15 5.224,16 4.423,17 4.406,18 6.067,19 4.374,20 5.312,21 5.536,22 4.467,23 4.554,24 6.245,25 4.484,26 5.373,27 5.628,28 4.45,29 4.555,30 6.297,31 4.471,32 5.337,33 5.57,34 4.477,35 4.568,36 6.326,37 4.496,38 5.34,39 5.564,40 4.472,41 4.591,42 6.283,43 4.515,44 5.349,45 5.58,46 4.421,47 4.591,48 6.256,49 4.499,50 5.354,51 5.593,52 4.36,53 4.594,54 6.246,55 4.471,56 0.048,57 1.27,58 16.185,59 6.623,60 11.281,61 8.999,62 0.451,63 2.06,64 31.691,65 10.897,66 38.617,67 15.271,68 0.52,69 2.515,70 44.299,71 14.455,72 51.506,73 21.039,74 0.582,75 2.606,76 48.808,77 15.573,78 60.44,79 23.233,80 0.583,81 2.517,82 46.168,83 15.225,84 73.975,85 22.125,86 0.5,87 2.584,88 45.288,89 15.044,90 56.022,91 21.739,92 0.595,93 2.562,94 46.168,95 15.363,96 57.362,97 22.48,98 0.534,99 2.523,100 46.492,101 17.523,102 63.551,103 25.177,104 2,105 69,106 0.231,107 0.569,108 0.739,109 0.824,110 0.838,111 0.838,112 3.81,113 0.907,114 -5.07,115 -4.97,116 -4.65,119 41.8,121 2,125 7,127 1,142 11,143 3,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 11,174 3,175 13,178 2,179 1,180 3,183 11,186 2,187 9,190 1,192 3,195 5,198 6,199 13,204 4,207 5,211 3,212 10,215 1,217 3,220 6,223 1,224 13,227 2,229 1,232 10,236 3,237 8,245 10,249 4,250 10,253 4,255 1,258 8,263 12,266 1,271 3,275 4832,276 30.739,277 30.739,278 30.739,279 30.739,280 30.739,281 27.349,282 38.729,283 18.515,284 31.466,285 24.801,286 24.801,287 24.801,288 24.801,289 24.801,290 19.707,291 56.421,292 8.932,293 25.979,294 4.766,295 2.526,296 1.396,297 0.829,298 0.734,299 0.734,300 4.537,306 1681,307 3.464,310 110.907,311 880.037,314 198.397,318 2.783,319 33.692,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94.5,331 750,332 4.693,333 3.562,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.186,342 3.38,343 6.329,344 3.825,345 2.868,346 3.797,347 0.916,348 9.594,349 2.761,350 4.01,351 3.077,352 6.107,353 3.737,354 2.777,355 3.48,356 0.86,357 8.931,358 2.655,359 3.962,360 2.948,361 5.637,362 3.609,363 2.649,364 3.457,365 0.8,366 7.742,367 2.55,368 3.928,369 2.82,370 5.568,371 3.602,372 2.643,373 3.363,374 0.247,375 7.635,376 2.53,377 3.757,378 2.561,379 5.516,380 3.371,381 2.411,382 3.146,383 0.172,384 7.12,385 2.311,386 3.524,387 2.522,388 5.323,389 3.31,390 2.344,391 2.656,393 6.917,394 2.247,395 3.404,396 2.406,397 5.044,398 3.047,399 2.103,400 2.604,402 6.052,403 1.976,404 3.256,405 2.341,406 4.747,407 2.939,408 1.949,409 2.345,411 5.114,412 1.915,413 2.971,414 2.12,415 4.675,416 2.654,417 1.734,418 2.177,420 4.819,421 1.593,422 2.936,423 1.58,424 4.404,425 2.45,426 1.5,427 2.044,428 4.241,429 1.421,430 2.843,431 1.535,432 4.083,433 2.415,434 1.427,435 1.974,436 3.225,437 1.406,438 2.815,439 1.519,440 3.76,441 2.339,442 1.374,443 1.904,445 2.998,446 1.32,447 2.529,448 1.486,449 3.587,450 2.152,451 1.251,452 1.539,454 2.988,455 1.119,456 2.5,457 1.256,458 3.569,459 2.041,460 1.095,461 1.5,463 2.875,464 1.03,465 20.767,466 0.472,467 0.824,468 0.019,469 59.5,470 1.352,471 29,472 0.659,473 30.5,474 0.693,475 40.532,476 0.921,477 46.433,478 0.588,479 49.563,480 1.126,481 11.677,482 0.265,483 10.015,484 0.228,485 0.016,487 0.299,493 0.827,494 1.437,495 0.765,496 1.13,497 0.607,498 0.966,499 1.069,500 1.143,501 0.961,502 0.989,503 0.667,504 0.963,505 1.097,506 1.153,507 1.028,508 1.019,509 0.887,510 1.012,511 0.866,512 0.966,513 0.929,514 0.93,515 0.797,516 0.925,517 1.022,518 1.012,519 0.956,520 0.942,521 1.277,522 0.936,523 1.086,524 1.075,525 1.081,526 1.043,527 1.057,528 1.051,529 0.976,530 1.035,531 1.108,532 1.035,533 0.781,534 1.071,535 0.565,536 0.985,537 1.03,538 1.161,539 0.525,540 1.163,541 7,542 0.296,543 3.778,544 2.16,545 1.947,546 1.566,547 1.152,548 0.513,549 0.37,550 0.39,551 39035,552 94401,553 2.219,554 44.3,556 26,558 3,559 2,562 4,564 1.824,565 2.164,566 3.98,567 0.126,573 121.479,574 1.538,575 3.777,576 4.907,577 5.475,578 5.57,579 5.57,580 3.468,581 4.869,582 5.42,583 4.205,584 3978.34,585 9.616,586 75693.6,591 497.999,592 1.021,593 5.426,594 0.14,595 0.006,596 0.055,597 0.031,598 0.029,599 0.022,600 0.016,601 0.008,602 0.006,603 0.007,604 0.319,605 0.17,606 0.63,607 0.248,608 257.519,609 0.008,610 -0.23,611 0.08,612 -0.092,613 0.016,614 -0.013,615 0.026,616 -0.005,617 -0.032,618 -0.014,619 0.074,620 -0.033,621 -0.08,622 -0.106,623 -0.058,624 -0.05,625 -0.022,626 -0.053,627 0.032,628 0.049,629 0.062,630 0.027,631 0.073,632 0.047,633 -0.007,634 0.008,635 0.024,636 0.035,637 -0.02,638 0.035,639 -0.115,640 -0.019,641 -0.119,642 -0.071,643 -0.107,644 -0.09,645 -0.06,646 0.005,647 -0.145,648 -0.057,649 -0.077,650 -0.1,651 0.152,652 0.003,653 -0.079,654 -0.138,655 0.108,656 -0.144,657 2.003,658 5.47,659 0.886,660 73.702,661 1.001,662 1.13,663 3.837,664 14.723,665 0.669,666 3.932,667 4.248,668 4.543,669 4.844,670 5.118,671 5.242,672 5.485,673 5.694,674 5.864,675 6.054,676 9.704,677 0.639,678 589.77,679 3.932,680 5.476,681 6.333,682 7.212,683 8.085,684 8.974,685 9.859,686 10.754,687 11.647,688 12.549,689 11.4,692 1,695 1,696 2,697 1,699 4,703 2,704 14,705 4,709 6,710 1,711 28,726 1,731 79,733 29,734 2,735 50,737 85,738 33,739 22,740 3,741 9,746 7,747 8,751 1,755 3,758 3,761 23,762 10,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 9,794 0.857,795 2,803 1,805 1,806 1,811 1,812 6,815 1,836 1,839 1,840 6,848 44,854 9,855 2,856 1,858 1,859 2,870 2.5,873 1,874 1,877 20.333,878 13.983,879 9.583,880 4.85,881 4.746,882 1.506,883 1.022,884 8.575,885 14.12,886 4.19,887 4.769,888 5.352,889 5.964,890 6.522,891 6.848,892 7.35,893 7.822,894 8.181,895 8.619,896 0.917,897 70,898 16.287,900 6.988,901 7.576,902 31.693,904 26.584,905 2.076,906 91.333,910 388.446,911 181.268,912 111.066,914 36.145,917 181.268,918 424.591,919 111.066,921 60.804,922 104.239,923 140.193,924 51.953,925 6.604,926 353.133,928 388.446,929 292.334,930 36.145,933 343.69,934 72.229,935 11,937 94.562,938 128.424,939 67.02,941 388.446,942 147.211,943 181.268,946 388.446,947 49.887,948 139.406,949 36.022,950 103.164,951 388.446,952 147.211,953 181.268,955 0.575,956 0.333,957 0.187,958 0.105,959 34,960 13,961 0.082,962 7,963 1,964 1.051,965 5.467,966 468.67,967 0.051,968 39,969 224.215,974 28.569,975 13.206,976 6.67,977 1.823,978 145.435,979 26.994,980 19.036,984 5.019,985 2.114,986 36.022,987 716.925,988 65,993 12.47,997 -0.336,999 79.058,1000 89.301,1001 0.244,1002 0.599,1003 0.778,1004 0.868,1005 0.884,1006 0.884,1007 5.425,1008 2.103,1009 6.293,1010 6.917,1011 4.934,1012 5.457,1013 2.277,1014 7.088,1015 4.845,1016 6.602,1017 1.949,1018 7.83,1019 6.052,1020 4.369,1021 5.112,1022 1.404,1023 7.928,1024 4.237,1025 7.889,1026 1.734,1027 9.468,1028 5.114,1029 6.503,1030 7.615,1031 2.617,1032 11.063,1033 6.323,1034 9.212,1035 1.5,1036 11.168,1037 4.819,1038 6.804,1039 8.169,1040 2.398,1041 12.797,1042 6.575,1043 10.571,1044 1.427,1045 12.912,1046 4.241,1047 8.353,1048 10.108,1049 3.311,1050 15.438,1051 8.081,1052 11.956,1053 1.374,1054 14.687,1055 3.225,1056 9.074,1057 11.122,1058 3.429,1059 17.558,1060 8.748,1061 13.363,1062 1.251,1063 16.485,1064 2.998,1065 10.376,1066 12.816,1067 4.176,1068 20.044,1069 10.006,1070 3.288,1071 1.095,1072 18.302,1073 2.988,1074 11.311,1075 14.078,1076 4.471,1077 22.338,1078 10.885,1079 2.868,1080 11.616,1081 20.133,1082 2.875,1083 12.511,1084 15.665,1085 5.117,1086 24.78,1087 12.038,1088 2.777,1089 9.594,1090 21.977,1091 4.638,1092 13.557,1093 17.059,1094 5.506,1095 27.153,1096 13.026,1097 2.649,1098 8.931,1099 23.831,1100 3.797,1101 14.721,1102 18.603,1103 6.093,1104 29.587,1105 14.14,1106 2.643,1107 7.742,1108 25.694,1109 3.48,1110 15.825,1111 20.065,1112 6.532,1113 31.997,1114 15.187,1115 2.411,1116 7.635,1117 27.566,1118 3.457,1119 16.981,1120 21.595,1121 7.084,1122 34.434,1123 16.29,1124 2.344,1125 7.12,1126 29.444,1127 3.363,1128 18.116,1129 23.091,1130 7.551,1131 36.863,1132 17.369,1133 35360,1134 55254,1135 35.076,1136 52.858,1137 74.92,1138 75.832,1139 75.104,1140 74.56,1141 74.556,1142 96.162,1143 9.304,1144 210.32,1145 71.273,1146 5.693,1147 5.562,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 9.418,1156 1.498,1157 1.517,1158 1.502,1159 1.491,1160 1.491,1161 1.923,1162 0.186,1163 4.206,1164 1.425,1165 4.144,1166 4.196,1167 4.119,1168 3.989,1169 7.431,1170 4.013,1171 3.931,1172 3.973,1173 3.862,1174 3.855,1175 5.136,1176 3.85,1177 3.914,1178 3.956,1179 3.854,1180 3.805,1181 4.908,1182 3.813,1183 3.848,1184 3.889,1185 3.788,1186 3.739,1187 4.756,1188 3.747,1189 3.782,1190 3.838,1191 3.674,1192 3.625,1193 4.749,1194 3.627,1195 3.691,1196 3.749,1197 3.575,1198 3.483,1199 4.623,1200 3.498,1201 3.429,1202 3.479,1203 3.383,1204 3.163,1205 4.483,1206 3.211,1207 3.267,1208 3.337,1209 3.191,1210 3.065,1211 4.254,1212 3.074,1213 0.094,1214 0.071,1215 0.138,1216 0.085,1217 0.066,1218 4.693,1219 0.093,1220 3.562,1221 0.033,1222 6.903,1223 0.232,1224 4.237,1225 0.062,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.03,1240 2.048,1241 1.22,1242 2.048,1243 1.834,1244 1.791,1245 1.988,1246 1.991,1247 1.14,1248 1.98,1249 1.814,1250 1.771,1251 1.939,1252 1.95,1253 1.105,1254 1.961,1255 1.768,1256 1.718,1257 1.926,1258 1.941,1259 0.945,1260 1.941,1261 1.583,1262 1.533,1263 1.719,1264 1.787,1265 0.883,1266 1.77,1267 1.317,1268 1.241,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.263,1274 1.215,1275 1.513,1276 1.56,1277 0.825,1278 1.514,1279 4.615,1281 5.932,1282 2.398,1283 7.447,1284 4.727,1285 9.048,1286 6.862,1287 10.697,1295 7.876,1296 5.654,1297 5.63,1299 0.268,1300 4.786,1305 50.471,1306 121.479,1307 298.422,1308 387.68,1309 432.489,1310 439.999,1311 439.999,1312 64.445,1313 9.374,1314 113.33,1315 113.33,1316 41,1317 13.072,1318 4.907,1319 4,1320 60.183,1321 248,1322 292,1323 0.113,1324 303.722,1325 518.06,1326 732.841,1327 192122,1329 29.719,1330 0.675,1331 0.556,1332 29.719,1333 24.471,1334 21.692,1335 0.434,1336 0.302,1337 14.89,1338 20.802,1339 14.656,1340 12.044,1341 21.692,1342 15.122,1343 19.244,1344 0.279,1345 0.162,1346 19.244,1347 11.188,1348 16.531,1349 0.178,1350 0.088,1351 16.531,1352 8.217,1353 14.355,1354 0.114,1355 0.047,1356 14.355,1357 5.92,1358 12.031,1359 0.072,1360 0.026,1361 12.031,1362 4.244,1363 0.181,1364 136.04,1365 0.169,1366 39.245,1367 0.301,1368 238,1369 647.653,1370 261.993,1371 627.996,1372 877.9,1373 594,1374 281,1375 662.622,1376 306.912,1377 668.381,1378 982.47,1379 631,1380 7.26}
{0 CHEMBL1097902,1 1.568,2 16.302,3 2.786,4 7.759,5 162.625,6 7.516,7 0.551,8 4.468,9 4.6,10 4.056,11 3.959,12 5.527,13 3.959,14 5.029,15 5.213,16 4.418,17 4.37,18 6.063,19 4.345,20 5.285,21 5.514,22 4.429,23 4.503,24 6.211,25 4.438,26 5.339,27 5.593,28 4.44,29 4.524,30 6.289,31 4.443,32 5.316,33 5.551,34 4.462,35 4.544,36 6.287,37 4.475,38 5.323,39 5.548,40 4.449,41 4.563,42 6.261,43 4.488,44 5.332,45 5.569,46 4.409,47 4.556,48 6.235,49 4.47,50 5.328,51 5.567,52 4.333,53 4.562,54 6.22,55 4.441,56 0.076,57 1.27,58 15.856,59 6.184,60 10.939,61 8.557,62 0.548,63 2.038,64 31.237,65 10.477,66 40.238,67 14.807,68 0.57,69 2.412,70 43.343,71 13.405,72 50.705,73 19.99,74 0.751,75 2.491,76 47.091,77 14.851,78 67.069,79 22.35,80 0.535,81 2.448,82 45.025,83 14.648,84 64.305,85 21.632,86 0.558,87 2.521,88 44.414,89 14.407,90 57.138,91 21.114,92 0.649,93 2.497,94 45.561,95 14.472,96 55.559,97 21.692,98 0.575,99 2.435,100 45.182,101 16.751,102 62.216,103 24.227,104 2,105 68,106 0.237,107 0.599,108 0.765,109 0.829,110 0.834,111 0.834,112 3.788,113 0.901,114 -5.26,115 -5.15,116 -4.82,119 40.3,121 2,125 7,127 1,142 9,143 3,144 1,145 2,147 1,149 1,151 1,159 1,161 1,162 1,166 1,172 10,174 3,175 12,178 4,179 2,180 2,183 11,186 2,187 8,192 2,195 5,198 7,199 12,202 2,203 1,204 3,207 5,211 2,212 9,217 2,220 6,223 1,224 15,227 2,229 3,232 8,236 3,237 8,242 2,245 6,249 4,250 9,253 4,255 2,258 5,263 11,266 1,271 2,275 4553,276 30.032,277 30.032,278 30.032,279 30.032,280 30.032,281 26.771,282 38.729,283 18.015,284 30.833,285 24.301,286 24.301,287 24.301,288 24.301,289 24.301,290 19.374,291 56.421,292 8.682,293 25.606,294 4.698,295 2.309,296 1.211,297 0.789,298 0.753,299 0.753,300 4.514,306 1575,307 3.464,310 248.52,311 690.836,314 192.689,318 2.784,319 33.654,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 93,331 701,332 4.693,333 3.562,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.186,342 3.38,343 6.329,344 3.825,345 2.869,346 3.797,347 0.916,348 9.594,349 2.76,350 4.014,351 3.077,352 6.107,353 3.736,354 2.778,355 3.511,356 0.86,357 8.931,358 2.653,359 3.973,360 2.948,361 5.637,362 3.607,363 2.652,364 3.457,365 0.8,366 7.743,367 2.546,368 3.928,369 2.82,370 5.571,371 3.588,372 2.649,373 3.364,374 0.247,375 7.644,376 2.484,377 3.762,378 2.574,379 5.516,380 3.359,381 2.419,382 3.147,383 0.172,384 7.121,385 2.266,386 3.524,387 2.528,388 5.329,389 3.308,390 2.345,391 2.646,393 6.932,394 2.239,395 3.401,396 2.407,397 5.044,398 3.046,399 2.103,400 2.604,402 6.052,403 1.974,404 3.255,405 2.341,406 4.747,407 2.929,408 1.946,409 2.345,411 5.129,412 1.895,413 2.966,414 2.12,415 4.68,416 2.654,417 1.734,418 2.164,420 4.819,421 1.593,422 2.933,423 1.58,424 4.405,425 2.438,426 1.486,427 2.042,428 4.242,429 1.412,430 2.816,431 1.535,432 4.083,433 2.414,434 1.427,435 1.906,436 3.225,437 1.404,438 2.571,439 1.486,440 3.76,441 2.152,442 1.252,443 1.587,445 2.992,446 1.12,447 2.526,448 1.318,449 3.587,450 2.091,451 1.139,452 1.533,454 2.883,455 1.079,456 2.5,457 1.256,458 3.428,459 2.036,460 1.088,461 1.5,463 2.492,464 1.026,465 20.167,466 0.469,467 0.824,468 0.019,469 57.5,470 1.337,471 27,472 0.628,473 30.5,474 0.709,475 39.774,476 0.925,477 45.833,478 0.595,479 47.53,480 1.105,481 11.289,482 0.263,483 9.903,484 0.23,485 0.017,487 0.307,493 0.867,494 1.497,495 0.764,496 1.151,497 0.619,498 0.969,499 0.998,500 1.088,501 0.946,502 0.988,503 0.641,504 0.964,505 1.121,506 1.163,507 1.032,508 1.016,509 0.905,510 1.008,511 0.744,512 0.892,513 0.914,514 0.919,515 0.73,516 0.931,517 0.979,518 1.061,519 0.933,520 0.979,521 1.182,522 0.949,523 1.069,524 1.1,525 1.098,526 1.075,527 1.081,528 1.083,529 0.942,530 1.032,531 1.087,532 1.023,533 0.671,534 1.056,535 0.572,536 0.982,537 1.046,538 1.189,539 0.532,540 1.193,541 7,542 0.285,543 3.778,544 2.194,545 1.831,546 1.608,547 1.078,548 0.529,549 0.367,550 0.374,551 36561,552 90179,553 2.225,554 44.2,556 24,557 1,558 2,559 3,562 4,564 1.819,565 2.168,566 3.925,567 0.756,573 120.769,574 1.568,575 3.958,576 5.055,577 5.478,578 5.514,579 5.514,580 3.431,581 4.961,582 5.386,583 4.163,584 3759.05,585 9.551,586 69999.6,591 482.543,592 1.031,593 5.392,594 0.143,595 0.006,596 0.056,597 0.033,598 0.027,599 0.023,600 0.016,601 0.008,602 0.006,603 0.007,604 0.324,605 0.17,606 0.63,607 0.252,608 249.575,609 -0.02,610 -0.261,611 0.078,612 -0.1,613 0.008,614 -0.013,615 0.081,616 0.06,617 -0.02,618 -0.005,619 0.099,620 -0.031,621 -0.119,622 -0.123,623 -0.063,624 -0.041,625 -0.037,626 -0.044,627 0.129,628 0.12,629 0.068,630 0.049,631 0.135,632 0.049,633 -0.047,634 -0.047,635 0.035,636 0.018,637 -0.038,638 0.039,639 -0.131,640 -0.047,641 -0.144,642 -0.088,643 -0.142,644 -0.113,645 -0.063,646 0.007,647 -0.126,648 -0.041,649 -0.054,650 -0.08,651 0.133,652 0.012,653 -0.104,654 -0.152,655 0.092,656 -0.165,657 2.048,658 5.336,659 0.884,660 70.562,661 1.004,662 1.135,663 4.034,664 16.272,665 0.664,666 3.912,667 4.234,668 4.533,669 4.836,670 5.081,671 5.231,672 5.476,673 5.68,674 5.858,675 6.045,676 9.452,677 0.636,678 578.75,679 3.912,680 5.46,681 6.319,682 7.2,683 8.076,684 8.966,685 9.852,686 10.749,687 11.643,688 12.546,689 13,692 1,695 1,696 2,697 2,699 4,703 2,704 12,705 4,706 1,709 6,710 1,711 27,726 1,731 77,733 28,734 2,735 49,737 83,738 31,739 20,740 3,741 9,746 7,747 8,751 1,755 3,758 3,761 21,762 10,766 1,771 1,775 1,781 34,782 10,783 3,784 12,787 1,790 10,794 0.857,795 2,803 1,806 1,811 2,812 5,815 1,836 1,839 1,840 6,848 43,854 9,855 2,856 1,858 1,859 2,870 2.6,873 1,874 1,877 19.833,878 13.567,879 9.333,880 4.701,881 4.493,882 1.483,883 1.028,884 8.232,885 13.793,886 4.167,887 4.749,888 5.336,889 5.951,890 6.452,891 6.832,892 7.34,893 7.804,894 8.177,895 8.611,896 1,897 67,898 15.911,900 6.847,901 7.589,902 30.912,904 25.965,905 2.089,906 89.833,910 364.904,911 161.458,912 127.852,914 36.145,917 161.458,918 401.049,919 127.852,921 60.804,922 94.334,923 128.422,924 58.833,925 18.375,926 329.591,928 364.904,929 289.31,930 36.145,933 320.148,934 72.229,935 11,937 104.2,938 115.763,939 67.02,941 364.904,942 163.997,943 161.458,946 364.904,947 49.029,948 120.454,949 52.807,950 103.164,951 364.904,952 163.997,953 161.458,955 0.576,956 0.335,957 0.188,958 0.101,959 34,960 13,961 0.084,962 7,963 1,964 1.053,965 5.391,966 456.508,967 0.053,968 38,969 217.329,974 27.835,975 12.717,976 6.369,977 1.818,978 145.435,979 23.338,980 18.993,981 2.848,984 4.746,985 2.11,986 52.807,987 690.359,988 63.5,993 12.336,997 -0.381,999 77.276,1000 87.384,1001 0.25,1002 0.632,1003 0.807,1004 0.874,1005 0.88,1006 0.88,1007 5.406,1008 2.103,1009 6.282,1010 6.932,1011 4.92,1012 5.438,1013 2.277,1014 7.081,1015 4.82,1016 6.585,1017 1.946,1018 7.822,1019 6.052,1020 4.369,1021 5.112,1022 1.404,1023 7.928,1024 4.222,1025 7.875,1026 1.734,1027 9.462,1028 5.129,1029 6.494,1030 7.6,1031 2.617,1032 11.062,1033 6.295,1034 9.201,1035 1.486,1036 11.165,1037 4.819,1038 6.815,1039 8.191,1040 2.398,1041 12.799,1042 6.565,1043 10.563,1044 1.427,1045 12.91,1046 4.242,1047 8.348,1048 10.097,1049 3.311,1050 15.438,1051 8.052,1052 11.951,1053 1.252,1054 14.686,1055 3.225,1056 9.083,1057 11.142,1058 3.429,1059 17.559,1060 8.734,1061 13.361,1062 1.139,1063 16.485,1064 2.992,1065 10.374,1066 12.81,1067 4.176,1068 20.045,1069 9.98,1070 3.288,1071 1.088,1072 18.302,1073 2.883,1074 11.318,1075 14.092,1076 4.471,1077 22.338,1078 10.869,1079 2.869,1080 11.616,1081 20.133,1082 2.492,1083 12.512,1084 15.662,1085 5.117,1086 24.781,1087 12.016,1088 2.778,1089 9.594,1090 21.977,1091 4.638,1092 13.562,1093 17.067,1094 5.506,1095 27.153,1096 13.011,1097 2.652,1098 8.931,1099 23.832,1100 3.797,1101 14.722,1102 18.603,1103 6.093,1104 29.588,1105 14.123,1106 2.649,1107 7.743,1108 25.695,1109 3.511,1110 15.828,1111 20.07,1112 6.532,1113 31.998,1114 15.173,1115 2.419,1116 7.644,1117 27.566,1118 3.457,1119 16.982,1120 21.595,1121 7.084,1122 34.434,1123 16.277,1124 2.345,1125 7.121,1126 29.444,1127 3.364,1128 18.118,1129 23.094,1130 7.551,1131 36.863,1132 17.358,1133 33033,1134 52177,1135 34.383,1136 51.103,1137 73.796,1138 74.269,1139 73.449,1140 73.228,1141 73.223,1142 94.143,1143 9.304,1144 207.64,1145 69.63,1146 5.693,1147 5.562,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 9.322,1156 1.506,1157 1.516,1158 1.499,1159 1.494,1160 1.494,1161 1.921,1162 0.19,1163 4.238,1164 1.421,1165 4.144,1166 4.196,1167 4.119,1168 3.988,1169 7.431,1170 4.012,1171 3.931,1172 3.986,1173 3.875,1174 3.855,1175 5.137,1176 3.85,1177 3.924,1178 3.972,1179 3.854,1180 3.803,1181 5,1182 3.81,1183 3.862,1184 3.909,1185 3.805,1186 3.652,1187 4.756,1188 3.689,1189 3.782,1190 3.838,1191 3.674,1192 3.624,1193 4.749,1194 3.626,1195 3.691,1196 3.749,1197 3.575,1198 3.482,1199 4.623,1200 3.498,1201 3.418,1202 3.469,1203 3.373,1204 3.152,1205 4.483,1206 3.199,1207 3.263,1208 3.332,1209 3.185,1210 3.062,1211 4.254,1212 3.07,1213 0.096,1214 0.073,1215 0.141,1216 0.086,1217 0.067,1218 4.693,1219 0.095,1220 3.562,1221 0.034,1222 6.903,1223 0.237,1224 4.237,1225 0.064,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.047,1241 1.22,1242 2.047,1243 1.828,1244 1.783,1245 1.987,1246 1.966,1247 1.14,1248 1.968,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.104,1254 1.954,1255 1.584,1256 1.535,1257 1.721,1258 1.819,1259 0.883,1260 1.786,1261 1.477,1262 1.406,1263 1.632,1264 1.756,1265 0.825,1266 1.729,1267 1.371,1268 1.312,1269 1.514,1270 1.605,1271 0.825,1272 1.588,1273 1.316,1274 1.237,1275 1.513,1276 1.6,1277 0.729,1278 1.57,1279 4.595,1281 5.916,1282 3.045,1283 7.428,1284 5.283,1285 9.027,1286 7.298,1287 10.674,1295 7.867,1296 5.487,1297 5.623,1299 0.268,1300 4.78,1305 48.965,1306 120.769,1307 304.773,1308 389.258,1309 421.788,1310 424.543,1311 424.543,1312 61.366,1313 9.299,1314 129.12,1315 129.12,1316 40,1317 13.068,1318 4.858,1319 3.954,1320 58.147,1321 235,1322 269,1323 0.115,1324 294.259,1325 497.1,1326 709.751,1327 173058,1329 29.012,1330 0.675,1331 0.554,1332 29.012,1333 23.817,1334 21.192,1335 0.432,1336 0.3,1337 14.466,1338 20.241,1339 14.264,1340 11.708,1341 21.192,1342 14.715,1343 18.891,1344 0.278,1345 0.16,1346 18.891,1347 10.884,1348 16.281,1349 0.177,1350 0.087,1351 16.281,1352 8.027,1353 14.178,1354 0.113,1355 0.046,1356 14.178,1357 5.793,1358 11.419,1359 0.071,1360 0.025,1361 11.419,1362 4.074,1363 0.183,1364 133.448,1365 0.171,1366 38.482,1367 0.307,1368 234,1369 647.985,1370 260.213,1371 625.846,1372 876.04,1373 592,1374 277,1375 664.946,1376 304.743,1377 667.87,1378 984.02,1379 631,1380 7.523}
{0 CHEMBL1097942,1 1.607,2 14.85,3 2.315,4 5.361,5 148.078,6 7.22,7 0.356,8 4.445,9 4.575,10 3.993,11 3.895,12 5.466,13 3.894,14 5.032,15 5.225,16 4.348,17 4.279,18 6.067,19 4.251,20 5.279,21 5.512,22 4.396,23 4.423,24 6.219,25 4.373,26 5.314,27 5.549,28 4.44,29 4.439,30 6.356,31 4.394,32 5.283,33 5.496,34 4.394,35 4.461,36 6.341,37 4.412,38 5.273,39 5.489,40 4.402,41 4.521,42 6.207,43 4.442,44 5.367,45 5.616,46 4.359,47 4.536,48 6.256,49 4.432,50 5.348,51 5.605,52 4.292,53 4.495,54 6.249,55 4.368,56 0.088,57 1.193,58 16.839,59 6.402,60 10.11,61 9.124,62 0.726,63 1.857,64 33.909,65 10.345,66 52.435,67 15.553,68 0.761,69 2.19,70 45.517,71 12.489,72 60.824,73 19.573,74 0.824,75 2.249,76 47.249,77 13.018,78 79.668,79 20.05,80 0.915,81 2.223,82 45.481,83 12.557,84 103.071,85 18.919,86 0.63,87 2.348,88 43.073,89 13.961,90 52.086,91 21.207,92 0.784,93 2.385,94 49.14,95 15.346,96 65.071,97 23.934,98 0.723,99 2.245,100 48.497,101 16.968,102 75.625,103 25.227,104 20,105 64,106 0.247,107 0.575,108 0.763,109 0.807,110 0.807,111 0.807,112 3.718,113 0.944,114 -4.3,115 -4.24,116 -4,119 36.8,120 2,121 4,125 6,127 3,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 13,178 2,179 1,180 4,183 6,186 2,187 6,192 2,195 2,198 6,199 20,204 5,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 12,236 5,237 3,245 8,249 6,250 7,253 4,255 1,258 6,263 8,266 1,275 3680,276 27.256,277 27.256,278 27.256,279 27.256,280 27.256,281 25.237,282 39.045,283 16.005,284 28.067,285 22.262,286 22.262,287 22.262,288 22.262,289 22.262,290 18.967,291 54.306,292 7.661,293 23.546,294 4.641,295 2.506,296 1.283,297 0.994,298 0.994,299 0.994,300 4.425,306 1309,307 4.183,308 84.901,310 99.851,311 496.985,314 179.032,318 2.435,319 42.623,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 88,331 594,332 4.693,333 3.784,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.186,342 3.566,343 6.332,344 3.843,345 2.896,346 3.796,347 1.656,348 9.602,349 2.766,350 4.023,351 3.378,352 6.107,353 3.766,354 2.803,355 3.371,356 0.86,357 8.931,358 2.678,359 3.934,360 3.029,361 6.037,362 3.693,363 2.737,364 3.172,365 0.8,366 8.62,367 2.634,368 3.87,369 2.825,370 5.633,371 3.65,372 2.711,373 3.117,374 0.655,375 7.818,376 2.51,377 3.661,378 2.677,379 5.563,380 3.41,381 2.446,382 2.842,383 0.247,384 7.149,385 2.353,386 3.423,387 2.578,388 5.384,389 3.241,390 2.29,391 2.508,392 0.13,393 7.058,394 2.165,395 3.31,396 2.469,397 4.818,398 3.013,399 2.085,400 2.417,402 5.34,403 1.932,404 3.122,405 2.374,406 4.713,407 2.94,408 1.943,409 2.15,411 5.2,412 1.914,413 2.964,414 2.266,415 4.694,416 2.689,417 1.762,418 2.138,420 4.835,421 1.628,422 2.935,423 2.063,424 4.408,425 2.434,426 1.48,427 1.991,428 4.245,429 1.407,430 2.638,431 1.535,432 4.137,433 2.301,434 1.358,435 1.647,436 3.417,437 1.264,438 2.5,439 1.528,440 3.789,441 2.086,442 1.179,443 1.5,445 2.916,446 1.058,447 2.48,448 1.256,449 3.754,450 2,451 1.032,452 1.46,454 2.713,455 1,456 2.3,457 1.112,458 3.424,459 1.991,460 1,461 1.241,463 2.275,464 0.983,465 18.533,466 0.463,467 0.989,468 0.025,469 46.25,470 1.156,471 18,472 0.45,473 28.25,474 0.706,475 42.393,476 1.06,477 45.067,478 0.593,479 39.144,480 0.979,481 8.609,482 0.215,483 10.832,484 0.271,485 0.09,487 0.362,493 0.793,494 1.61,495 0.789,496 1.297,497 0.578,498 1.074,499 0.853,500 1.195,501 0.906,502 1.043,503 0.518,504 0.991,505 1.177,506 1.105,507 0.969,508 0.905,509 0.871,510 0.893,511 1.16,512 1.005,513 0.963,514 0.912,515 1.308,516 0.894,517 1.489,518 1.005,519 1.174,520 0.874,521 1.885,522 0.95,523 0.785,524 1.189,525 1.081,526 1.161,527 0.697,528 1.163,529 0.659,530 1.044,531 0.996,532 1.061,533 0.469,534 1.073,535 0.438,536 0.969,537 0.882,538 1.147,539 0.423,540 1.109,541 8,542 0.382,543 4.5,544 2.313,545 1.935,546 1.729,547 1.124,548 0.557,549 0.373,550 0.407,551 27825,552 68392,553 2.151,554 47.4,556 19,558 1,559 2,561 10,562 4,564 1.803,565 2.034,566 3.793,567 0.199,573 122.119,574 1.607,575 3.741,576 4.965,577 5.254,578 5.254,579 5.254,580 3.284,581 4.853,582 5.281,583 4.03,584 3143.38,585 9.35,586 54604.8,591 474.842,592 1.337,593 5.263,594 0.178,595 0.008,596 0.074,597 0.036,598 0.029,599 0.027,600 0.018,601 0.009,602 0.007,603 0.008,604 0.394,605 0.17,606 0.63,607 0.864,608 225.959,609 -0.013,610 -0.292,611 0.082,612 -0.136,613 -0.008,614 -0.029,615 0.168,616 -0.039,617 0.051,618 -0.022,619 0.164,620 -0.016,621 -0.137,622 -0.055,623 0.019,624 0.067,625 -0.057,626 0.072,627 -0.089,628 0.047,629 0.032,630 0.046,631 -0.073,632 0.06,633 -0.288,634 0.077,635 -0.178,636 0.105,637 -0.301,639 -0.037,640 -0.047,641 -0.157,642 -0.12,643 -0.068,644 -0.156,645 0.055,646 0.007,647 -0.053,648 -0.047,649 0.039,650 -0.063,651 0.221,652 0.022,653 0.055,654 -0.1,655 0.165,656 -0.065,657 1.93,658 5.386,659 0.75,660 60.2,661 1.007,662 1.14,663 3.069,664 9.419,665 0.638,666 3.829,667 4.174,668 4.431,669 4.727,670 4.99,671 5.165,672 5.416,673 5.617,674 5.793,675 5.981,676 8.677,677 0.611,678 548.72,679 3.829,680 5.389,681 6.252,682 7.143,683 8.024,684 8.922,685 9.814,686 10.718,687 11.618,688 12.526,689 10.5,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 76,733 18,734 1,735 45,737 81,738 28,739 11,740 2,741 4,746 6,747 7,751 1,752 2,755 6,758 7,761 13,762 15,766 2,771 2,775 2,781 36,782 11,783 2,784 12,790 8,794 0.833,795 4,803 1,806 1,809 1,811 1,812 4,815 1,837 1,839 1,840 5,844 2,848 40,854 10,855 2,856 2,858 3,859 2,870 5.3,873 2,874 1,875 1,877 19.667,878 14.033,879 8.611,880 4.951,881 3.195,882 1.362,883 0.982,884 8.1,885 12.033,886 4.025,887 4.582,888 5.128,889 5.74,890 6.294,891 6.746,892 7.277,893 7.757,894 8.129,895 8.564,896 1,897 64,898 14.902,900 6.469,901 7.683,902 28.853,904 24.448,905 2.183,906 87.333,910 400.217,911 118.273,912 94.281,914 72.29,917 118.273,918 472.507,919 94.281,920 17.65,921 66.892,922 37.905,923 125.01,924 35.791,925 13.366,926 388.446,928 400.217,929 212.554,930 72.29,933 237.75,934 226.085,935 11,937 97.081,938 62.911,939 50.234,941 400.217,942 166.57,943 118.273,946 400.217,947 53.67,948 72.628,949 36.022,950 122.524,951 400.217,952 166.57,953 118.273,955 0.585,956 0.323,957 0.178,958 0.096,959 32,960 14,961 0.086,962 7,963 1,964 1.067,965 5.031,966 412.944,967 0.067,968 30,969 196.877,974 27.245,975 11.892,976 6.534,977 1.683,978 164.794,979 9.446,980 14.756,984 3.008,985 1.994,986 36.022,987 685.061,988 55,993 24.532,997 -0.448,999 76.494,1000 86.637,1001 0.257,1002 0.599,1003 0.795,1004 0.841,1005 0.841,1006 0.841,1007 5.298,1008 2.085,1009 6.24,1010 7.058,1011 4.86,1012 5.27,1013 2.857,1014 7.062,1015 4.754,1016 6.486,1017 1.943,1018 7.804,1019 5.34,1020 4.511,1021 5.13,1022 2.2,1023 8.003,1024 4.372,1025 7.79,1026 1.762,1027 9.467,1028 5.2,1029 6.475,1030 7.413,1031 3.824,1032 11.09,1033 6.266,1034 9.125,1035 1.48,1036 11.188,1037 4.835,1038 6.909,1039 8.125,1040 3.876,1041 12.855,1042 6.663,1043 10.494,1044 1.358,1045 12.947,1046 4.245,1047 8.368,1048 9.934,1049 5.122,1050 15.483,1051 8.058,1052 11.888,1053 1.179,1054 14.733,1055 3.417,1056 9.161,1057 11.061,1058 5.498,1059 17.606,1060 8.81,1061 13.303,1062 1.032,1063 16.54,1064 2.916,1065 10.418,1066 12.688,1067 6.553,1068 20.085,1069 10.01,1070 3.289,1071 1,1072 18.362,1073 2.713,1074 11.39,1075 14.023,1076 7.101,1077 22.374,1078 10.934,1079 2.896,1080 11.617,1081 20.196,1082 2.275,1083 12.568,1084 15.581,1085 8.048,1086 24.811,1087 12.059,1088 2.803,1089 9.602,1090 22.042,1091 4.638,1092 13.629,1093 17.017,1094 8.696,1095 27.178,1096 13.069,1097 2.737,1098 8.931,1099 23.897,1100 3.796,1101 14.782,1102 18.551,1103 9.58,1104 29.608,1105 14.169,1106 2.711,1107 8.62,1108 25.759,1109 3.371,1110 15.89,1111 20.037,1112 10.287,1113 32.014,1114 15.224,1115 2.446,1116 7.818,1117 27.629,1118 3.172,1119 17.039,1120 21.564,1121 11.134,1122 34.447,1123 16.321,1124 2.29,1125 7.149,1126 29.504,1127 3.117,1128 18.173,1129 23.073,1130 11.875,1131 36.873,1132 17.402,1133 25786,1134 40607,1135 30.63,1136 48.523,1137 68.473,1138 70.529,1139 69.575,1140 67.872,1141 67.917,1142 82.265,1143 13.112,1144 197.449,1145 64.435,1146 5.693,1147 5.784,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 18.229,1156 1.522,1157 1.567,1158 1.546,1159 1.508,1160 1.509,1161 1.828,1162 0.291,1163 4.388,1164 1.432,1165 4.142,1166 4.193,1167 4.117,1168 3.984,1169 7.434,1170 4.009,1171 3.926,1172 3.977,1173 3.857,1174 3.81,1175 7.43,1176 3.816,1177 3.869,1178 3.918,1179 3.768,1180 3.751,1181 5.135,1182 3.745,1183 3.815,1184 3.865,1185 3.723,1186 3.646,1187 4.752,1188 3.655,1189 3.724,1190 3.78,1191 3.616,1192 3.494,1193 4.624,1194 3.512,1195 3.61,1196 3.668,1197 3.464,1198 3.428,1199 4.525,1200 3.424,1201 3.393,1202 3.444,1203 3.334,1204 3.134,1205 4.477,1206 3.18,1207 3.264,1208 3.311,1209 3.186,1210 2.983,1211 4.347,1212 3.032,1213 0.104,1214 0.084,1215 0.153,1216 0.094,1217 0.073,1218 4.693,1219 0.103,1220 3.784,1221 0.049,1222 6.903,1223 0.258,1224 4.237,1225 0.069,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.05,1234 2.103,1235 1.409,1236 2.085,1237 1.848,1238 1.798,1239 2.013,1240 2.025,1241 1.219,1242 2.022,1243 1.777,1244 1.729,1245 1.932,1246 1.962,1247 1.106,1248 1.957,1249 1.608,1250 1.553,1251 1.886,1252 1.842,1253 1.053,1254 1.849,1255 1.58,1256 1.528,1257 1.72,1258 1.791,1259 0.882,1260 1.775,1261 1.385,1262 1.328,1263 1.557,1264 1.668,1265 0.825,1266 1.637,1267 1.287,1268 1.214,1269 1.513,1270 1.599,1271 0.825,1272 1.554,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.511,1280 1.946,1281 5.849,1282 3.932,1283 7.376,1284 5.82,1285 8.988,1286 7.681,1287 10.647,1289 3.722,1295 7.586,1296 5.826,1297 10.971,1299 0.264,1300 3.994,1305 46.406,1306 122.119,1307 284.351,1308 377.333,1309 399.333,1310 399.333,1311 399.333,1312 72.72,1313 8.837,1314 126.74,1315 126.74,1316 32,1317 13.044,1318 4.248,1319 3.459,1320 57.13,1321 200,1322 235,1323 0.134,1324 278.988,1325 485.5,1326 672.492,1327 91827,1329 27.639,1330 0.691,1331 0.575,1332 27.639,1333 23.006,1334 19.441,1335 0.432,1336 0.315,1337 13.901,1338 18.426,1339 13.644,1340 11.19,1341 19.441,1342 14.158,1343 17.945,1344 0.28,1345 0.17,1346 17.945,1347 10.897,1348 14.396,1349 0.173,1350 0.086,1351 14.396,1352 7.174,1353 12.5,1354 0.112,1355 0.045,1356 12.5,1357 5.092,1358 10.056,1359 0.069,1360 0.025,1361 10.056,1362 3.584,1363 0.212,1364 123.39,1365 0.181,1366 36.071,1367 0.364,1368 218,1369 641.479,1370 247.691,1371 602.892,1372 831.96,1373 568,1374 259,1375 624.932,1376 288.701,1377 619.558,1378 918.83,1379 585,1380 5.749}
{0 CHEMBL1098242,1 1.678,2 15.634,3 2.431,4 5.911,5 150.105,6 7.291,7 0.356,8 4.462,9 4.593,10 4.006,11 3.889,12 5.522,13 3.892,14 5.058,15 5.255,16 4.393,17 4.293,18 6.139,19 4.277,20 5.321,21 5.541,22 4.434,23 4.463,24 6.326,25 4.414,26 5.398,27 5.652,28 4.462,29 4.476,30 6.429,31 4.421,32 5.313,33 5.524,34 4.453,35 4.474,36 6.481,37 4.435,38 5.299,39 5.507,40 4.43,41 4.549,42 6.267,43 4.471,44 5.437,45 5.695,46 4.392,47 4.568,48 6.344,49 4.459,50 5.403,51 5.667,52 4.339,53 4.508,54 6.346,55 4.388,56 0.129,57 1.253,58 17.006,59 6.503,60 13.062,61 9.231,62 0.839,63 1.946,64 35.122,65 10.579,66 65.048,67 15.69,68 0.996,69 2.306,70 47.295,71 13.032,72 82.459,73 20.117,74 1.032,75 2.339,76 52.572,77 14.124,78 100.707,79 22.176,80 1.249,81 2.287,82 47.212,83 12.55,84 154.825,85 19.16,86 0.714,87 2.445,88 43.69,89 14.451,90 59.169,91 21.734,92 0.927,93 2.506,94 53.387,95 16.377,96 79.237,97 25.718,98 0.902,99 2.364,100 52.257,101 17.542,102 97.218,103 26.053,104 51,105 64,106 0.257,107 0.58,108 0.758,109 0.796,110 0.796,111 0.796,112 3.741,113 0.933,114 -4.4,115 -4.33,116 -4.08,119 35.9,120 3,121 2,125 8,127 1,130 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 14,178 2,179 1,180 2,183 8,186 2,187 6,192 2,195 2,198 6,199 20,204 3,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 10,236 5,237 3,245 4,249 6,250 8,253 4,255 1,258 4,263 9,266 1,275 4002,276 27.471,277 27.471,278 27.471,279 27.471,280 27.471,281 25.453,282 37.685,283 16.26,284 28.332,285 22.232,286 22.232,287 22.232,288 22.232,289 22.232,290 18.934,291 51.439,292 7.738,293 23.62,294 4.607,295 2.502,296 1.34,297 1.093,298 1.093,299 1.093,300 4.443,306 1368,307 4.69,310 103.904,311 517.065,314 186.501,318 2.516,319 49.957,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 91.5,331 641,332 4.693,333 3.848,334 6.903,335 4.238,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.202,342 3.546,343 6.484,344 4.088,345 3.153,346 3.796,347 1.656,348 10.252,349 2.937,350 4.18,351 3.379,352 6.329,353 3.826,354 2.87,355 3.371,356 0.86,357 9.597,358 2.759,359 3.996,360 3.235,361 6.107,362 3.735,363 2.773,364 3.275,365 0.8,366 8.93,367 2.651,368 3.821,369 3.025,370 5.931,371 3.578,372 2.645,373 3.161,374 0.655,375 8.311,376 2.455,377 3.787,378 2.821,379 5.56,380 3.494,381 2.533,382 2.867,383 0.247,384 7.353,385 2.424,386 3.476,387 2.543,388 5.47,389 3.207,390 2.25,391 2.707,392 0.13,393 7.08,394 2.14,395 3.392,396 2.394,397 4.828,398 3.063,399 2.086,400 2.487,402 5.521,403 2.028,404 2.987,405 2.291,406 4.785,407 2.707,408 1.78,409 2.169,411 4.926,412 1.645,413 2.959,414 2.168,415 4.419,416 2.458,417 1.515,418 2.038,420 4.282,421 1.425,422 2.671,423 2.069,424 4.229,425 2.336,426 1.399,427 1.687,428 3.679,429 1.293,430 2.5,431 1.535,432 3.962,433 2.281,434 1.348,435 1.5,436 2.966,437 1.237,438 2.49,439 1.528,440 3.76,441 2.092,442 1.192,443 1.477,445 2.84,446 1.062,447 2.437,448 1.256,449 3.428,450 2,451 1.045,452 1.415,454 2.493,455 1,456 2.31,457 1.22,458 3.414,459 2,460 1,461 1.264,463 2.275,464 0.992,465 18.819,466 0.459,467 1.13,468 0.028,469 46.5,470 1.134,471 18,472 0.439,473 28.5,474 0.695,475 45.134,476 1.101,477 47.181,478 0.605,479 41.63,480 1.015,481 8.982,482 0.219,483 10.732,484 0.262,485 0.13,486 0.027,487 0.303,488 1,493 0.737,494 1.528,495 0.779,496 1.344,497 0.568,498 1.11,499 0.864,500 1.083,501 0.86,502 0.972,503 0.627,504 0.919,505 1.128,506 1.067,507 1.064,508 1.008,509 0.827,510 1.017,511 0.944,512 0.871,513 0.876,514 0.855,515 0.955,516 0.842,517 1.24,518 0.872,519 1.12,520 0.837,521 1.398,522 0.928,523 0.724,524 1.149,525 1.112,526 1.247,527 0.625,528 1.256,529 0.571,530 0.969,531 0.934,532 1.062,533 0.405,534 1.067,535 0.502,536 0.938,537 0.836,538 1.108,539 0.506,540 1.064,541 9,542 0.461,543 4.667,544 2.535,545 2.085,546 1.809,547 1.117,548 0.644,549 0.445,550 0.463,551 27852,552 78531,553 2.069,554 47.4,556 21,558 1,559 2,561 9,562 4,564 1.809,565 1.929,566 3.842,567 0.21,573 130.906,574 1.678,575 3.783,576 4.946,577 5.192,578 5.192,579 5.192,580 3.348,581 4.833,582 5.316,583 4.078,584 3343.93,585 9.419,586 59398.1,591 490.261,592 1.537,593 5.28,594 0.2,595 0.009,596 0.073,597 0.039,598 0.031,599 0.027,600 0.017,601 0.011,602 0.008,603 0.009,604 0.424,605 0.17,606 0.63,607 1.435,608 233.728,609 -0.024,610 -0.284,611 0.069,612 -0.157,613 -0.031,614 -0.046,615 0.099,616 0.034,617 0.086,618 0.061,619 0.085,620 0.066,621 -0.143,622 -0.056,623 -0.098,624 -0.012,625 -0.078,626 -0.042,627 -0.055,628 0.044,629 0.1,630 0.095,631 -0.037,632 0.128,633 -0.164,634 0.124,635 -0.143,636 0.14,637 -0.113,638 0.025,639 -0.053,640 -0.071,641 -0.22,642 -0.178,643 -0.069,644 -0.229,645 0.063,646 -0.032,647 -0.009,648 -0.05,649 0.058,650 -0.043,651 0.175,652 0.005,653 0.1,654 -0.068,655 0.127,656 -0.017,657 2.135,658 5.573,659 0.659,660 63.982,661 1.011,662 1.146,663 3.167,664 10.03,665 0.631,666 3.829,667 4.174,668 4.419,669 4.718,670 4.984,671 5.159,672 5.407,673 5.617,674 5.793,675 5.971,676 8.928,677 0.607,678 568.73,679 3.829,680 5.389,681 6.236,682 7.13,683 8.001,684 8.903,685 9.788,686 10.696,687 11.591,688 12.503,689 10.3,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 78,733 18,734 1,735 45,737 82,738 28,739 11,740 2,741 4,744 1,746 5,747 6,751 1,752 4,755 3,758 3,761 13,762 15,763 1,766 2,771 2,775 2,779 1,781 37,782 12,783 2,784 13,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 3,846 1,848 41,854 10,855 2,856 2,858 1,859 2,860 1,869 1,870 5.1,873 2,874 1,875 1,877 21.25,878 14.76,879 8.903,880 4.8,881 3.172,882 1.361,883 0.955,884 9.269,885 11.968,886 4.025,887 4.582,888 5.122,889 5.737,890 6.291,891 6.744,892 7.273,893 7.754,894 8.125,895 8.556,896 0.909,897 65,898 15.27,900 6.537,901 7.839,902 29.076,904 23.979,905 2.339,906 95.917,910 411.989,911 132.605,912 94.281,914 72.29,915 14.96,917 132.605,918 484.278,919 109.241,920 26.476,921 72.398,922 37.905,923 125.01,924 35.791,925 28.326,926 400.217,928 411.989,929 226.886,930 87.25,933 276.252,934 214.314,935 11,937 111.413,938 62.911,939 50.234,941 426.949,942 166.57,943 132.605,946 411.989,947 59.177,948 81.453,949 36.022,950 137.484,951 411.989,952 181.531,953 132.605,955 0.583,956 0.321,957 0.175,958 0.097,959 30,960 14,961 0.085,962 7,963 1,964 1.074,965 4.959,966 418.7,967 0.074,968 27,969 202.905,974 29.491,975 12.887,976 7.262,977 1.605,978 179.754,979 9.031,980 14.654,984 2.698,985 1.96,986 36.022,987 726.124,988 55,993 24.475,997 -0.761,999 78.89,1000 89.392,1001 0.267,1002 0.602,1003 0.787,1004 0.826,1005 0.826,1006 0.826,1007 5.298,1008 2.086,1009 6.248,1010 7.08,1011 4.86,1012 5.27,1013 2.857,1014 7.086,1015 4.748,1016 6.495,1017 1.78,1018 7.824,1019 5.521,1020 4.575,1021 5.165,1022 2.2,1023 8.148,1024 4.424,1025 7.81,1026 1.515,1027 9.503,1028 4.926,1029 6.512,1030 7.428,1031 3.824,1032 11.185,1033 6.289,1034 9.157,1035 1.399,1036 11.244,1037 4.282,1038 7.022,1039 8.16,1040 3.876,1041 13.034,1042 6.754,1043 10.539,1044 1.348,1045 13.024,1046 3.679,1047 8.462,1048 9.954,1049 5.122,1050 15.636,1051 8.13,1052 11.943,1053 1.192,1054 14.829,1055 2.966,1056 9.319,1057 11.086,1058 5.498,1059 17.798,1060 8.934,1061 13.366,1062 1.045,1063 16.652,1064 2.84,1065 10.571,1066 12.705,1067 6.553,1068 20.263,1069 10.128,1070 3.289,1071 1,1072 18.489,1073 2.493,1074 11.587,1075 14.039,1076 7.101,1077 22.561,1078 11.086,1079 3.153,1080 11.617,1081 20.336,1082 2.275,1083 12.769,1084 15.592,1085 8.048,1086 24.986,1087 12.211,1088 2.87,1089 10.252,1090 22.192,1091 4.638,1092 13.858,1093 17.027,1094 8.696,1095 27.349,1096 13.242,1097 2.773,1098 9.597,1099 24.055,1100 3.796,1101 15.018,1102 18.558,1103 9.58,1104 29.767,1105 14.345,1106 2.645,1107 8.93,1108 25.923,1109 3.371,1110 16.144,1111 20.042,1112 10.287,1113 32.163,1114 15.413,1115 2.533,1116 8.311,1117 27.797,1118 3.275,1119 17.3,1120 21.568,1121 11.134,1122 34.584,1123 16.512,1124 2.25,1125 7.353,1126 29.676,1127 3.161,1128 18.444,1129 23.076,1130 11.875,1131 36.998,1132 17.598,1133 26818,1134 45206,1135 29.819,1136 49.222,1137 68.155,1138 71.004,1139 69.078,1140 67.552,1141 67.629,1142 81.972,1143 13.112,1144 197.705,1145 63.874,1146 5.693,1147 5.848,1148 6.768,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 22.794,1156 1.515,1157 1.578,1158 1.535,1159 1.501,1160 1.503,1161 1.822,1162 0.291,1163 4.393,1164 1.419,1165 4.141,1166 4.193,1167 4.117,1168 3.983,1169 8.196,1170 4.009,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.434,1176 3.811,1177 3.833,1178 3.883,1179 3.747,1180 3.654,1181 7.43,1182 3.665,1183 3.743,1184 3.797,1185 3.629,1186 3.55,1187 5.135,1188 3.551,1189 3.669,1190 3.728,1191 3.547,1192 3.479,1193 4.752,1194 3.489,1195 3.626,1196 3.695,1197 3.517,1198 3.373,1199 4.624,1200 3.399,1201 3.338,1202 3.399,1203 3.269,1204 3.093,1205 4.568,1206 3.128,1207 3.253,1208 3.295,1209 3.169,1210 2.975,1211 4.48,1212 3.021,1213 0.104,1214 0.086,1215 0.153,1216 0.094,1217 0.073,1218 4.693,1219 0.103,1220 3.848,1221 0.049,1222 6.903,1223 0.258,1224 4.238,1225 0.069,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.05,1234 2.104,1235 1.409,1236 2.085,1237 1.849,1238 1.799,1239 2.014,1240 2.027,1241 1.219,1242 2.023,1243 1.778,1244 1.731,1245 1.943,1246 1.966,1247 1.118,1248 1.959,1249 1.689,1250 1.636,1251 1.932,1252 1.89,1253 1.106,1254 1.904,1255 1.586,1256 1.535,1257 1.782,1258 1.834,1259 0.995,1260 1.819,1261 1.533,1262 1.462,1263 1.715,1264 1.765,1265 0.881,1266 1.756,1267 1.29,1268 1.22,1269 1.513,1270 1.604,1271 0.825,1272 1.556,1273 1.169,1274 1.12,1275 1.513,1276 1.466,1277 0.825,1278 1.429,1279 4.511,1281 5.849,1282 2.398,1283 7.372,1284 4.727,1285 8.98,1286 6.862,1287 10.636,1289 5.603,1291 12.344,1295 4.577,1296 5.13,1297 11.123,1299 0.07,1300 3.944,1301 -0.536,1305 47.316,1306 130.906,1307 295.08,1308 385.758,1309 404.977,1310 404.977,1311 404.977,1312 90.806,1313 8.796,1314 126.74,1315 126.74,1316 29,1317 13.02,1318 4.248,1319 3.459,1320 66.224,1321 210,1322 284,1323 0.149,1324 287.58,1325 503.93,1326 693.455,1327 86495,1328 1.3,1329 28.985,1330 0.707,1331 0.579,1332 28.277,1333 23.729,1334 19.714,1335 0.438,1336 0.311,1337 13.695,1338 18.557,1339 13.369,1340 10.998,1341 19.214,1342 13.988,1343 18.543,1344 0.29,1345 0.174,1346 18.19,1347 11.142,1348 14.394,1349 0.176,1350 0.085,1351 14.125,1352 6.987,1353 12.466,1354 0.112,1355 0.045,1356 12.406,1357 4.982,1358 10.077,1359 0.069,1360 0.024,1361 9.763,1362 3.523,1363 0.235,1364 126.079,1365 0.183,1366 36.757,1367 0.402,1368 218,1369 727.59,1370 250.69,1371 655.686,1372 884.52,1373 616,1374 255,1375 640.226,1376 286.543,1377 634.046,1378 934.69,1379 595,1380 6.105}
{0 CHEMBL1098243,1 1.591,2 14.976,3 2.52,4 6.352,5 152.715,6 7.123,7 0.348,8 4.479,9 4.61,10 4.015,11 3.93,12 5.493,13 3.925,14 5.068,15 5.263,16 4.39,17 4.321,18 6.098,19 4.293,20 5.328,21 5.552,22 4.423,23 4.479,24 6.276,25 4.423,26 5.403,27 5.657,28 4.471,29 4.49,30 6.41,31 4.432,32 5.319,33 5.531,34 4.423,35 4.489,36 6.391,37 4.444,38 5.304,39 5.513,40 4.434,41 4.568,42 6.238,43 4.486,44 5.442,45 5.698,46 4.382,47 4.594,48 6.305,49 4.477,50 5.411,51 5.678,52 4.312,53 4.534,54 6.284,55 4.398,56 0.077,57 1.232,58 17.781,59 6.728,60 11.076,61 9.656,62 0.704,63 1.925,64 35.515,65 10.903,66 53.942,67 16.461,68 0.768,69 2.301,70 47.723,71 13.339,72 64.544,73 20.693,74 0.837,75 2.376,76 52.608,77 14.448,78 84.419,79 22.664,80 0.972,81 2.288,82 47.684,83 12.751,84 112.692,85 19.36,86 0.592,87 2.445,88 44.398,89 14.69,90 51.968,91 22.245,92 0.792,93 2.527,94 53.413,95 16.798,96 69.098,97 26.299,98 0.735,99 2.344,100 52.19,101 18.022,102 80.073,103 27.061,104 29,105 67,106 0.243,107 0.564,108 0.743,109 0.785,110 0.785,111 0.785,112 3.742,113 0.944,114 -4.49,115 -4.42,116 -4.16,119 36.7,120 3,121 4,125 6,127 2,130 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 14,178 2,179 1,180 4,183 8,186 2,187 6,192 2,195 2,198 6,199 22,204 5,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 14,236 5,237 3,245 8,249 6,250 8,253 4,255 1,258 6,263 9,266 1,275 3965,276 27.496,277 27.496,278 27.496,279 27.496,280 27.496,281 25.478,282 40.124,283 15.953,284 28.284,285 22.767,286 22.767,287 22.767,288 22.767,289 22.767,290 19.478,291 57.795,292 7.651,293 24.041,294 4.713,295 2.607,296 1.434,297 1.155,298 1.155,299 1.155,300 4.446,306 1348,307 4.528,308 87.431,310 103.357,311 514.191,314 185.477,318 2.51,319 43.511,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 90,331 614,332 4.693,333 3.848,334 6.903,335 4.238,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.202,342 3.566,343 6.484,344 4.088,345 3.153,346 3.796,347 1.656,348 10.252,349 2.937,350 4.181,351 3.379,352 6.329,353 3.828,354 2.871,355 3.372,356 0.86,357 9.597,358 2.763,359 3.998,360 3.235,361 6.107,362 3.75,363 2.79,364 3.275,365 0.8,366 8.931,367 2.666,368 3.872,369 3.025,370 5.931,371 3.686,372 2.716,373 3.169,374 0.655,375 8.311,376 2.628,377 3.787,378 2.825,379 5.633,380 3.578,381 2.645,382 2.867,383 0.247,384 7.818,385 2.455,386 3.661,387 2.677,388 5.559,389 3.409,390 2.445,391 2.842,392 0.13,393 7.138,394 2.353,395 3.399,396 2.539,397 5.384,398 3.201,399 2.243,400 2.49,402 7.047,403 2.136,404 3.309,405 2.386,406 4.787,407 2.942,408 1.944,409 2.416,411 5.2,412 1.924,413 2.986,414 2.291,415 4.709,416 2.707,417 1.779,418 2.146,420 4.926,421 1.644,422 2.949,423 2.069,424 4.408,425 2.434,426 1.48,427 2.036,428 4.247,429 1.407,430 2.671,431 1.535,432 4.229,433 2.335,434 1.398,435 1.686,436 3.679,437 1.293,438 2.5,439 1.528,440 3.962,441 2.093,442 1.194,443 1.5,445 2.965,446 1.063,447 2.487,448 1.256,449 3.759,450 2.001,451 1.046,452 1.471,454 2.835,455 1,456 2.31,457 1.112,458 3.425,459 2,460 1,461 1.264,463 2.275,464 0.993,465 19.033,466 0.464,467 1.199,468 0.029,469 46.75,470 1.14,471 18,472 0.439,473 28.75,474 0.701,475 45.658,476 1.114,477 46.367,478 0.587,479 39.922,480 0.974,481 8.584,482 0.209,483 11.147,484 0.272,485 0.114,486 0.026,487 0.326,493 0.791,494 1.608,495 0.803,496 1.303,497 0.594,498 1.086,499 0.83,500 1.181,501 0.865,502 1.026,503 0.494,504 0.96,505 1.281,506 1.162,507 1.068,508 0.991,509 0.925,510 0.989,511 1.065,512 0.963,513 0.872,514 0.864,515 1.194,516 0.83,517 1.639,518 0.968,519 1.208,520 0.827,521 2.13,522 0.922,523 0.79,524 1.234,525 1.12,526 1.217,527 0.707,528 1.216,529 0.632,530 1.04,531 0.987,532 1.066,533 0.456,534 1.075,535 0.419,536 0.958,537 0.846,538 1.112,539 0.408,540 1.068,541 9.5,542 0.435,543 4.722,544 2.563,545 2.095,546 1.841,547 1.146,548 0.616,549 0.422,550 0.463,551 29670,552 71265,553 2.126,554 48.1,556 18,558 1,559 2,561 13,562 4,564 1.809,565 1.992,566 3.797,567 0.185,573 125.696,574 1.591,575 3.697,576 4.87,577 5.148,578 5.148,579 5.148,580 3.281,581 4.784,582 5.318,583 4.058,584 3327.48,585 9.421,586 59038.8,591 497.999,592 1.508,593 5.286,594 0.207,595 0.009,596 0.074,597 0.039,598 0.031,599 0.028,600 0.017,601 0.01,602 0.008,603 0.009,604 0.431,605 0.17,606 0.63,607 0.893,608 233.509,609 -0.007,610 -0.283,611 0.082,612 -0.132,613 -0.02,614 -0.028,615 0.193,616 -0.021,617 0.099,618 0.003,619 0.19,620 0.025,621 -0.174,622 -0.095,623 -0.076,624 -0.005,625 -0.096,626 -0.023,627 -0.032,628 0.046,629 0.13,630 0.086,631 -0.014,632 0.131,633 -0.33,634 0.12,635 -0.194,636 0.141,637 -0.344,638 0.017,639 -0.043,640 -0.069,641 -0.195,642 -0.159,643 -0.076,644 -0.2,645 0.066,646 -0.004,647 -0.042,648 -0.052,649 0.044,650 -0.061,651 0.232,652 0.014,653 0.096,654 -0.074,655 0.175,656 -0.027,657 1.941,658 5.592,659 0.732,660 62.926,661 1.005,662 1.14,663 3.264,664 10.657,665 0.637,666 3.85,667 4.22,668 4.443,669 4.745,670 5.004,671 5.176,672 5.425,673 5.631,674 5.811,675 5.996,676 8.863,677 0.607,678 562.75,679 3.85,680 5.425,681 6.282,682 7.183,683 8.058,684 8.963,685 9.849,686 10.758,687 11.652,688 12.564,689 10.1,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 79,733 18,734 1,735 46,737 84,738 29,739 11,740 2,741 4,746 6,747 7,751 1,752 3,755 6,758 6,761 13,762 16,763 1,766 2,771 2,775 2,781 38,782 11,783 2,784 12,790 8,794 0.833,795 4,803 1,806 1,809 1,811 1,812 4,815 1,837 1,839 1,840 5,844 3,848 41,854 10,855 2,856 2,858 2,859 2,860 1,870 5.1,873 2,874 1,875 1,877 20.583,878 14.95,879 8.653,880 5.021,881 3.19,882 1.359,883 0.97,884 8.078,885 12.083,886 4.043,887 4.613,888 5.134,889 5.75,890 6.298,891 6.749,892 7.278,893 7.759,894 8.131,895 8.566,896 1,897 65,898 15.283,900 6.649,901 7.677,902 29.588,904 25.136,905 2.177,906 89.25,910 423.76,911 127.098,912 94.281,914 72.29,917 127.098,918 496.049,919 94.281,920 26.476,921 66.892,922 37.905,923 125.01,924 35.791,925 13.366,926 411.989,928 423.76,929 221.379,930 72.29,933 225.979,934 261.398,935 11,937 105.906,938 62.911,939 50.234,941 423.76,942 166.57,943 127.098,946 423.76,947 53.67,948 81.453,949 36.022,950 122.524,951 423.76,952 166.57,953 127.098,955 0.593,956 0.317,957 0.173,958 0.094,959 34,960 15,961 0.083,962 7,963 1,964 1.067,965 5.069,966 427.367,967 0.067,968 30,969 200.905,974 28.197,975 11.746,976 6.935,977 1.679,978 164.794,979 9.449,980 14.782,984 3.003,985 1.995,986 36.022,987 717.429,988 56,993 24.751,997 -0.461,999 79.378,1000 90.052,1001 0.252,1002 0.586,1003 0.773,1004 0.817,1005 0.817,1006 0.817,1007 5.333,1008 2.243,1009 6.301,1010 7.138,1011 4.905,1012 5.301,1013 2.857,1014 7.144,1015 4.802,1016 6.541,1017 1.944,1018 7.882,1019 7.047,1020 4.691,1021 5.231,1022 2.2,1023 8.223,1024 4.552,1025 7.861,1026 1.779,1027 9.564,1028 5.2,1029 6.578,1030 7.455,1031 3.824,1032 11.237,1033 6.368,1034 9.21,1035 1.48,1036 11.305,1037 4.926,1038 7.116,1039 8.191,1040 3.876,1041 13.078,1042 6.863,1043 10.591,1044 1.398,1045 13.081,1046 4.247,1047 8.533,1048 9.971,1049 5.122,1050 15.67,1051 8.216,1052 11.993,1053 1.194,1054 14.882,1055 3.679,1056 9.395,1057 11.1,1058 5.498,1059 17.822,1060 9.027,1061 13.412,1062 1.046,1063 16.701,1064 2.965,1065 10.636,1066 12.714,1067 6.553,1068 20.282,1069 10.209,1070 3.289,1071 1,1072 18.533,1073 2.835,1074 11.649,1075 14.045,1076 7.101,1077 22.575,1078 11.165,1079 3.153,1080 11.617,1081 20.375,1082 2.275,1083 12.824,1084 15.596,1085 8.048,1086 24.996,1087 12.283,1088 2.871,1089 10.252,1090 22.226,1091 4.638,1092 13.908,1093 17.029,1094 8.696,1095 27.356,1096 13.309,1097 2.79,1098 9.597,1099 24.084,1100 3.796,1101 15.063,1102 18.56,1103 9.58,1104 29.772,1105 14.406,1106 2.716,1107 8.931,1108 25.949,1109 3.372,1110 16.183,1111 20.043,1112 10.287,1113 32.166,1114 15.468,1115 2.645,1116 8.311,1117 27.82,1118 3.275,1119 17.334,1120 21.569,1121 11.134,1122 34.586,1123 16.561,1124 2.445,1125 7.818,1126 29.695,1127 3.169,1128 18.474,1129 23.076,1130 11.875,1131 37,1132 17.643,1133 27576,1134 42940,1135 30.917,1136 50.285,1137 70.602,1138 72.732,1139 70.861,1140 69.828,1141 69.888,1142 84.232,1143 13.112,1144 207.672,1145 66.381,1146 5.693,1147 5.848,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 20.612,1156 1.535,1157 1.581,1158 1.54,1159 1.518,1160 1.519,1161 1.831,1162 0.285,1163 4.515,1164 1.443,1165 4.143,1166 4.194,1167 4.117,1168 3.984,1169 7.434,1170 4.01,1171 3.926,1172 3.977,1173 3.857,1174 3.81,1175 7.43,1176 3.816,1177 3.871,1178 3.92,1179 3.771,1180 3.752,1181 5.135,1182 3.745,1183 3.821,1184 3.868,1185 3.73,1186 3.651,1187 4.752,1188 3.661,1189 3.741,1190 3.795,1191 3.629,1192 3.549,1193 4.624,1194 3.551,1195 3.665,1196 3.724,1197 3.528,1198 3.478,1199 4.568,1200 3.488,1201 3.394,1202 3.445,1203 3.339,1204 3.135,1205 4.483,1206 3.181,1207 3.273,1208 3.315,1209 3.204,1210 2.988,1211 4.347,1212 3.04,1213 0.102,1214 0.084,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.848,1221 0.048,1222 6.903,1223 0.253,1224 4.238,1225 0.068,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.05,1234 2.103,1235 1.409,1236 2.085,1237 1.849,1238 1.799,1239 2.014,1240 2.026,1241 1.219,1242 2.023,1243 1.778,1244 1.731,1245 1.943,1246 1.962,1247 1.118,1248 1.957,1249 1.689,1250 1.636,1251 1.932,1252 1.89,1253 1.105,1254 1.904,1255 1.583,1256 1.534,1257 1.72,1258 1.798,1259 0.882,1260 1.777,1261 1.385,1262 1.328,1263 1.557,1264 1.669,1265 0.825,1266 1.637,1267 1.289,1268 1.218,1269 1.513,1270 1.603,1271 0.825,1272 1.556,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.533,1280 1.946,1281 5.889,1282 3.932,1283 7.425,1284 5.82,1285 9.04,1286 7.681,1287 10.699,1289 5.645,1295 7.54,1296 5.829,1297 11.164,1299 0.394,1300 4,1301 -0.521,1305 47.932,1306 125.696,1307 292.054,1308 384.714,1309 406.714,1310 406.714,1311 406.714,1312 78.264,1313 8.893,1314 126.74,1315 126.74,1316 32,1317 13.082,1318 4.248,1319 3.459,1320 59.296,1321 209,1322 246,1323 0.133,1324 288.581,1325 502.8,1326 695.897,1327 98589,1329 28.562,1330 0.697,1331 0.584,1332 28.562,1333 23.929,1334 19.731,1335 0.429,1336 0.315,1337 14.217,1338 18.724,1339 13.868,1340 11.409,1341 19.731,1342 14.472,1343 19.08,1344 0.285,1345 0.178,1346 19.08,1347 11.945,1348 14.487,1349 0.172,1350 0.086,1351 14.487,1352 7.231,1353 12.697,1354 0.111,1355 0.045,1356 12.697,1357 5.142,1358 10.153,1359 0.069,1360 0.024,1361 10.153,1362 3.622,1363 0.21,1364 125.079,1365 0.18,1366 36.803,1367 0.359,1368 226,1369 649.479,1370 256.356,1371 612.852,1372 845.38,1373 576,1374 267,1375 637.841,1376 297.033,1377 634.959,1378 937.96,1379 597,1380 6.047}
{0 CHEMBL1098244,1 1.63,2 15.805,3 2.676,4 7.16,5 151.479,6 7.626,7 0.478,8 4.412,9 4.535,10 4.006,11 3.884,12 5.505,13 3.893,14 4.977,15 5.152,16 4.37,17 4.285,18 6.07,19 4.27,20 5.219,21 5.436,22 4.43,23 4.435,24 6.216,25 4.392,26 5.291,27 5.521,28 4.422,29 4.439,30 6.347,31 4.393,32 5.245,33 5.459,34 4.405,35 4.447,36 6.305,37 4.398,38 5.249,39 5.474,40 4.396,41 4.458,42 6.246,43 4.397,44 5.224,45 5.447,46 4.376,47 4.459,48 6.215,49 4.392,50 5.238,51 5.455,52 4.337,53 4.493,54 6.241,55 4.393,56 0.11,57 1.157,58 14.658,59 6.05,60 10.052,61 8.046,62 0.756,63 1.841,64 29.889,65 9.897,66 50.262,67 13.747,68 0.634,69 2.231,70 40.042,71 12.417,72 51.911,73 18.216,74 0.901,75 2.295,76 44.895,77 13.035,78 85.998,79 18.819,80 0.762,81 2.22,82 41.765,83 12.983,84 85.039,85 18.477,86 0.768,87 2.279,88 41.707,89 13.023,90 64.525,91 19.05,92 0.783,93 2.218,94 40.402,95 12.94,96 61.47,97 19.013,98 0.664,99 2.207,100 40.187,101 15.605,102 66.319,103 21.828,104 12,105 64,106 0.25,107 0.589,108 0.736,109 0.796,110 0.815,111 0.819,112 3.742,113 0.896,114 -4.54,115 -4.47,116 -4.21,119 39.7,121 2,124 1,125 6,127 1,142 9,143 2,144 2,145 1,147 1,149 1,159 2,161 1,166 1,172 8,174 6,175 11,178 2,179 1,180 4,183 9,186 2,187 6,192 4,195 4,198 6,199 16,204 6,207 3,211 2,212 10,217 4,220 2,223 3,224 13,227 2,229 2,232 8,236 5,237 3,245 12,249 6,250 5,253 4,255 1,258 12,263 6,266 1,271 4,275 3937,276 28.386,277 28.386,278 28.386,279 28.386,280 28.386,281 25.616,282 36.889,283 16.841,284 29.218,285 22.689,286 22.689,287 22.689,288 22.689,289 22.689,290 18.334,291 50.818,292 7.971,293 23.905,294 4.56,295 2.359,296 1.398,297 1.007,298 0.887,299 0.86,300 4.458,306 1428,307 3.808,310 102.951,311 664.606,314 183.441,318 2.346,319 40.979,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 90,331 648,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.888,346 3.797,347 1.656,348 9.601,349 2.764,350 4.021,351 3.377,352 6.107,353 3.753,354 2.789,355 3.48,356 0.86,357 8.931,358 2.666,359 3.966,360 3.028,361 6.011,362 3.633,363 2.707,364 3.365,365 0.8,366 8.496,367 2.548,368 3.907,369 2.823,370 5.572,371 3.607,372 2.643,373 3.148,374 0.655,375 7.636,376 2.491,377 3.757,378 2.567,379 5.557,380 3.373,381 2.407,382 3.091,383 0.247,384 7.103,385 2.322,386 3.424,387 2.526,388 5.323,389 3.213,390 2.255,391 2.656,392 0.13,393 6.915,394 2.146,395 3.388,396 2.386,397 4.789,398 2.949,399 1.951,400 2.498,402 5.114,403 1.932,404 2.996,405 2.301,406 4.676,407 2.721,408 1.795,409 2.177,411 4.93,412 1.656,413 2.964,414 2.075,415 4.405,416 2.458,417 1.503,418 2.051,420 4.244,421 1.433,422 2.843,423 1.535,424 4.24,425 2.395,426 1.476,427 1.972,428 3.713,429 1.355,430 2.7,431 1.528,432 3.96,433 2.363,434 1.374,435 1.722,436 2.998,437 1.338,438 2.5,439 1.519,440 3.759,441 2.108,442 1.218,443 1.5,445 2.97,446 1.075,447 2.5,448 1.461,449 3.569,450 2.019,451 1.07,452 1.5,454 2.84,455 1.01,456 2.494,457 1.256,458 3.423,459 2,460 1,461 1.485,463 2.275,464 1,465 19.033,466 0.464,467 0.845,468 0.021,469 53.25,470 1.299,471 24.5,472 0.598,473 28.75,474 0.701,475 37.861,476 0.923,477 44.567,478 0.611,479 46.018,480 1.122,481 10.619,482 0.259,483 9.466,484 0.231,485 0.061,487 0.326,493 0.801,494 1.519,495 0.744,496 1.21,497 0.569,498 0.999,499 0.897,500 1.097,501 0.905,502 0.934,503 0.566,504 0.924,505 0.977,506 1.209,507 0.958,508 1.015,509 0.79,510 0.977,511 1.183,512 0.951,513 1.044,514 0.893,515 1.272,516 0.924,517 1.173,518 1.093,519 1.052,520 0.973,521 1.347,522 0.983,523 0.921,524 1.054,525 1.036,526 0.989,527 0.913,528 1.015,529 0.796,530 0.985,531 1.022,532 0.967,533 0.598,534 1.008,535 0.496,536 0.987,537 1.002,538 1.228,539 0.479,540 1.219,541 7,542 0.36,543 4.444,544 2.222,545 1.836,546 1.705,547 1.154,548 0.486,549 0.371,550 0.419,551 30133,552 81395,553 2.162,554 43.8,556 25,558 1,559 2,562 4,564 1.808,565 2.067,566 3.872,567 0.185,573 118.976,574 1.63,575 3.831,576 4.792,577 5.183,578 5.303,579 5.33,580 3.37,581 4.919,582 5.319,583 4.087,584 3351.51,585 9.416,586 59650.7,591 451.857,592 1.237,593 5.308,594 0.152,595 0.008,596 0.069,597 0.033,598 0.028,599 0.026,600 0.018,601 0.008,602 0.006,603 0.008,604 0.358,605 0.17,606 0.63,607 0.668,608 233.993,609 -0.025,610 -0.275,611 0.075,612 -0.132,613 -0.01,614 -0.031,615 0.128,616 0.044,617 0.017,618 0.057,619 0.114,620 0.013,621 -0.092,622 -0.138,623 -0.009,624 -0.039,625 -0.017,626 -0.012,627 -0.136,628 0.089,629 -0.053,630 0.047,631 -0.114,632 0.019,633 -0.164,634 -0.048,635 -0.087,636 0.006,637 -0.166,638 -0.02,639 -0.063,640 0.016,641 -0.086,642 -0.018,643 -0.084,644 -0.049,645 0.004,646 0.089,647 -0.082,648 0.017,649 0.008,650 -0.032,651 0.182,652 0.046,653 -0.088,654 -0.176,655 0.134,656 -0.187,657 1.988,658 5.435,659 0.805,660 61.246,661 1.01,662 1.134,663 3.315,664 10.988,665 0.658,666 3.85,667 4.174,668 4.477,669 4.762,670 5.03,671 5.187,672 5.434,673 5.624,674 5.787,675 5.981,676 8.979,677 0.635,678 556.69,679 3.85,680 5.398,681 6.26,682 7.141,683 8.021,684 8.913,685 9.803,686 10.702,687 11.6,688 12.505,689 11,695 1,696 3,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 73,733 24,734 2,735 46,737 78,738 29,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 19,762 10,766 2,771 2,775 2,781 32,782 11,783 2,784 12,790 8,794 0.833,795 4,803 1,806 1,811 1,812 5,815 1,837 1,839 1,840 5,844 1,848 41,854 8,855 2,856 2,858 1,859 2,870 5.5,873 2,874 1,875 1,877 19.833,878 13.283,879 9.028,880 4.402,881 4.034,882 1.45,883 0.997,884 8.324,885 13.004,886 4.094,887 4.666,888 5.249,889 5.851,890 6.411,891 6.8,892 7.318,893 7.793,894 8.156,895 8.599,896 0.909,897 67,898 15.193,900 6.521,901 7.728,902 29.091,904 24.095,905 2.228,906 91.333,910 353.133,911 156.575,912 94.281,914 72.29,917 156.575,918 425.423,919 94.281,920 10.883,921 61.822,922 85.286,923 125.01,924 38.548,925 13.366,926 341.362,928 353.133,929 250.856,930 72.29,933 308.377,934 108.374,935 11,937 74.362,938 123.932,939 50.234,941 353.133,942 166.57,943 156.575,946 353.133,947 51.358,948 113.242,949 36.022,950 122.524,951 353.133,952 166.57,953 156.575,955 0.577,956 0.341,957 0.185,958 0.101,959 31,960 13,961 0.077,962 6,963 1,964 1.061,965 5.1,966 424.883,967 0.061,968 33,969 203.66,974 27.455,975 12.431,976 6.149,977 1.652,978 164.794,979 18.596,980 14.71,984 3.596,985 1.975,986 36.022,987 676.278,988 59,993 24.412,997 -0.623,999 73.727,1000 82.806,1001 0.263,1002 0.619,1003 0.774,1004 0.837,1005 0.857,1006 0.861,1007 5.34,1008 1.951,1009 6.232,1010 6.915,1011 4.86,1012 5.354,1013 2.857,1014 7.045,1015 4.761,1016 6.522,1017 1.795,1018 7.787,1019 5.114,1020 4.369,1021 5.103,1022 2.2,1023 7.941,1024 4.225,1025 7.82,1026 1.503,1027 9.442,1028 4.93,1029 6.45,1030 7.517,1031 3.824,1032 11.064,1033 6.253,1034 9.153,1035 1.476,1036 11.16,1037 4.244,1038 6.815,1039 8.152,1040 3.876,1041 12.825,1042 6.564,1043 10.521,1044 1.374,1045 12.918,1046 3.713,1047 8.328,1048 10.029,1049 5.122,1050 15.461,1051 8.03,1052 11.916,1053 1.218,1054 14.705,1055 2.998,1056 9.091,1057 11.099,1058 5.498,1059 17.587,1060 8.736,1061 13.33,1062 1.07,1063 16.512,1064 2.97,1065 10.374,1066 12.759,1067 6.553,1068 20.07,1069 9.973,1070 3.289,1071 1,1072 18.336,1073 2.84,1074 11.334,1075 14.056,1076 7.101,1077 22.362,1078 10.875,1079 2.888,1080 11.617,1081 20.173,1082 2.275,1083 12.524,1084 15.628,1085 8.048,1086 24.801,1087 12.018,1088 2.789,1089 9.601,1090 22.021,1091 4.638,1092 13.582,1093 17.041,1094 8.696,1095 27.17,1096 13.019,1097 2.707,1098 8.931,1099 23.877,1100 3.797,1101 14.741,1102 18.58,1103 9.58,1104 29.601,1105 14.13,1106 2.643,1107 8.496,1108 25.742,1109 3.48,1110 15.85,1111 20.053,1112 10.287,1113 32.009,1114 15.183,1115 2.407,1116 7.636,1117 27.613,1118 3.365,1119 17.004,1120 21.581,1121 11.134,1122 34.443,1123 16.285,1124 2.255,1125 7.103,1126 29.49,1127 3.148,1128 18.14,1129 23.083,1130 11.875,1131 36.87,1132 17.367,1133 27921,1134 46053,1135 31.611,1136 48,1137 69.065,1138 71.114,1139 70.434,1140 68.627,1141 68.676,1142 87.152,1143 13.112,1144 196.59,1145 65.349,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 15.964,1156 1.501,1157 1.546,1158 1.531,1159 1.492,1160 1.493,1161 1.895,1162 0.285,1163 4.274,1164 1.421,1165 4.142,1166 4.193,1167 4.117,1168 3.984,1169 7.434,1170 4.01,1171 3.925,1172 3.964,1173 3.868,1174 3.828,1175 7.43,1176 3.831,1177 3.876,1178 3.916,1179 3.808,1180 3.799,1181 5.135,1182 3.798,1183 3.813,1184 3.863,1185 3.723,1186 3.643,1187 4.78,1188 3.651,1189 3.715,1190 3.771,1191 3.608,1192 3.487,1193 4.741,1194 3.505,1195 3.452,1196 3.494,1197 3.401,1198 3.174,1199 4.623,1200 3.225,1201 3.405,1202 3.437,1203 3.319,1204 3.107,1205 4.52,1206 3.157,1207 3.198,1208 3.269,1209 3.129,1210 2.95,1211 4.473,1212 2.985,1213 0.102,1214 0.082,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.761,1221 0.048,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.925,1233 2.05,1234 2.103,1235 1.409,1236 2.085,1237 1.887,1238 1.854,1239 2.019,1240 2.027,1241 1.219,1242 2.025,1243 1.845,1244 1.796,1245 2.003,1246 1.997,1247 1.106,1248 1.997,1249 1.775,1250 1.727,1251 1.932,1252 1.947,1253 1.06,1254 1.95,1255 1.584,1256 1.535,1257 1.719,1258 1.798,1259 0.881,1260 1.775,1261 1.339,1262 1.291,1263 1.602,1264 1.672,1265 0.825,1266 1.632,1267 1.277,1268 1.233,1269 1.513,1270 1.566,1271 0.825,1272 1.525,1273 1.192,1274 1.114,1275 1.513,1276 1.52,1277 0.63,1278 1.501,1279 4.533,1281 5.855,1282 2.398,1283 7.377,1284 4.727,1285 8.986,1286 6.862,1287 10.642,1289 1.406,1295 5.422,1296 5.68,1297 10.473,1299 0.1,1300 3.935,1305 46.352,1306 118.976,1307 279.67,1308 349.818,1309 378.347,1310 387.102,1311 389.102,1312 69.704,1313 8.969,1314 126.74,1315 126.74,1316 35,1317 13.026,1318 4.644,1319 3.807,1320 59.369,1321 213,1322 259,1323 0.13,1324 279.799,1325 483.98,1326 674.468,1327 112512,1329 28.183,1330 0.687,1331 0.557,1332 28.183,1333 22.824,1334 20.085,1335 0.437,1336 0.299,1337 13.464,1338 19.055,1339 13.249,1340 10.889,1341 20.085,1342 13.732,1343 17.784,1344 0.278,1345 0.156,1346 17.784,1347 10.007,1348 15.513,1349 0.178,1350 0.085,1351 15.513,1352 7.42,1353 13.084,1354 0.113,1355 0.045,1356 13.084,1357 5.263,1358 10.754,1359 0.071,1360 0.024,1361 10.754,1362 3.694,1363 0.207,1364 127.554,1365 0.178,1366 36.872,1367 0.351,1368 220,1369 675.479,1370 248.362,1371 639.213,1372 879.33,1373 602,1374 261,1375 653.395,1376 290.036,1377 654.096,1378 963.74,1379 615,1380 7.77}
{0 CHEMBL1098245,1 1.631,2 18.045,3 2.393,4 5.725,5 163.049,6 7.509,7 0.449,8 4.498,9 4.62,10 4.071,11 3.959,12 5.593,13 3.965,14 5.064,15 5.241,16 4.431,17 4.365,18 6.151,19 4.344,20 5.312,21 5.529,22 4.501,23 4.526,24 6.308,25 4.478,26 5.39,27 5.619,28 4.499,29 4.541,30 6.443,31 4.485,32 5.358,33 5.578,34 4.474,35 4.533,36 6.418,37 4.476,38 5.332,39 5.561,40 4.448,41 4.516,42 6.324,43 4.453,44 5.288,45 5.513,46 4.441,47 4.51,48 6.286,49 4.445,50 5.313,51 5.528,52 4.408,53 4.544,54 6.347,55 4.452,56 0.139,57 1.243,58 16.626,59 6.747,60 14.486,61 9.034,62 0.818,63 1.975,64 33.428,65 11.047,66 58.261,67 15.487,68 0.71,69 2.408,70 44.602,71 13.89,72 61.72,73 20.574,74 0.941,75 2.496,76 49.749,77 14.797,78 93.773,79 21.669,80 0.854,81 2.411,82 47.838,83 14.739,84 99.677,85 21.405,86 0.868,87 2.418,88 46.308,89 13.969,90 74.273,91 20.867,92 0.85,93 2.337,94 43.654,95 13.694,96 65.664,97 20.574,98 0.777,99 2.335,100 44.179,101 16.304,102 80.551,103 22.902,104 25,105 68,106 0.247,107 0.598,108 0.759,109 0.814,110 0.826,111 0.83,112 3.81,113 0.907,114 -4.22,115 -4.16,116 -3.93,119 38.8,121 3,124 1,125 7,127 1,142 8,143 3,144 2,145 1,147 1,149 1,159 2,161 1,166 1,172 9,174 6,175 11,178 2,179 1,180 5,183 11,186 2,187 6,192 5,195 6,198 6,199 16,204 8,207 3,211 2,212 10,217 7,220 2,223 3,224 13,227 2,229 2,232 8,236 5,237 4,241 1,242 1,245 12,249 6,250 5,253 4,255 1,258 12,263 6,266 2,267 1,271 6,275 4914,276 30.411,277 30.411,278 30.411,279 30.411,280 30.411,281 27.669,282 40.12,283 18.031,284 31.281,285 24.121,286 24.121,287 24.121,288 24.121,289 24.121,290 19.722,291 52.289,292 8.44,293 25.397,294 4.691,295 2.367,296 1.303,297 0.934,298 0.859,299 0.834,300 4.524,306 1740,307 4.123,310 115.484,311 733.587,314 205.219,318 2.55,319 47.582,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.5,328 0.5,329 0.57,330 97,331 794,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.889,346 3.797,347 1.656,348 9.601,349 2.764,350 4.068,351 3.377,352 6.107,353 3.755,354 2.791,355 3.649,356 0.86,357 8.931,358 2.672,359 4.011,360 3.028,361 6.011,362 3.678,363 2.71,364 3.369,365 0.8,366 8.496,367 2.639,368 3.91,369 2.826,370 5.6,371 3.63,372 2.695,373 3.164,374 0.655,375 7.72,376 2.493,377 3.81,378 2.785,379 5.561,380 3.471,381 2.499,382 3.091,383 0.247,384 7.196,385 2.419,386 3.568,387 2.55,388 5.415,389 3.238,390 2.277,391 2.872,392 0.13,393 7.081,394 2.184,395 3.409,396 2.415,397 5.177,398 3.189,399 2.219,400 2.509,402 6.509,403 2.137,404 3.274,405 2.338,406 4.789,407 2.847,408 1.85,409 2.484,411 5.006,412 1.832,413 2.996,414 2.3,415 4.643,416 2.72,417 1.793,418 2.15,420 4.93,421 1.656,422 2.95,423 2.075,424 4.4,425 2.432,426 1.487,427 2.047,428 4.226,429 1.405,430 2.701,431 1.535,432 4.24,433 2.393,434 1.467,435 1.722,436 3.712,437 1.339,438 2.5,439 1.528,440 3.96,441 2.108,442 1.219,443 1.5,445 2.975,446 1.075,447 2.5,448 1.519,449 3.759,450 2.038,451 1.102,452 1.5,454 2.844,455 1.022,456 2.494,457 1.461,458 3.424,459 2.017,460 1.069,461 1.485,463 2.275,464 1.008,465 20.367,466 0.463,467 0.913,468 0.021,469 55,470 1.25,471 24.5,472 0.557,473 30.5,474 0.693,475 42.874,476 0.974,477 48.633,478 0.608,479 49.385,480 1.122,481 10.939,482 0.249,483 10.578,484 0.24,485 0.074,487 0.329,493 0.838,494 1.513,495 0.773,496 1.214,497 0.662,498 1.013,499 0.903,500 1.098,501 0.916,502 0.943,503 0.632,504 0.935,505 0.938,506 1.198,507 0.953,508 1.015,509 0.772,510 0.981,511 1.061,512 0.995,513 1.026,514 0.952,515 1.09,516 0.967,517 1.101,518 1.113,519 1.027,520 0.997,521 1.219,522 0.994,523 0.924,524 1.059,525 1.032,526 0.974,527 0.894,528 1.002,529 0.722,530 1.014,531 0.979,532 0.972,533 0.518,534 0.997,535 0.631,536 1.004,537 1.027,538 1.2,539 0.683,540 1.196,541 8,542 0.368,543 4.889,544 2.285,545 2.067,546 1.851,547 1.276,548 0.542,549 0.445,550 0.459,551 37298,552 101658,553 2.136,554 45,556 26,558 1,559 3,561 2,562 4,564 1.822,565 2.031,566 4.035,567 0.763,573 130.447,574 1.631,575 3.955,576 5.019,577 5.387,578 5.462,579 5.487,580 3.567,581 4.959,582 5.42,583 4.248,584 4018.9,585 9.608,586 76870.3,591 505.754,592 1.289,593 5.405,594 0.163,595 0.007,596 0.072,597 0.032,598 0.03,599 0.027,600 0.019,601 0.008,602 0.007,603 0.008,604 0.373,605 0.33,606 0.63,607 0.844,608 258.269,609 -0.047,610 -0.248,611 0.062,612 -0.103,613 -0.038,614 -0.017,615 0.088,616 0.053,617 0.011,618 0.07,619 0.069,620 0.023,621 -0.09,622 -0.117,623 -0.008,624 -0.02,625 -0.028,626 -0.001,627 -0.106,628 0.057,629 -0.051,630 0.008,631 -0.081,632 -0.006,633 -0.136,634 -0.075,635 -0.059,636 -0.007,637 -0.131,638 -0.016,639 -0.074,640 0.018,641 -0.077,642 -0.003,643 -0.096,644 -0.033,645 0.04,646 0.081,647 -0.043,648 0.016,649 0.037,650 -0.016,651 0.115,652 0.052,653 -0.106,654 -0.154,655 0.063,656 -0.175,657 2.026,658 5.606,659 0.75,660 71.107,661 1.01,662 1.136,663 2.987,664 8.921,665 0.65,666 3.912,667 4.234,668 4.533,669 4.812,670 5.081,671 5.242,672 5.485,673 5.659,674 5.817,675 6.006,676 9.91,677 0.627,678 600.75,679 3.912,680 5.46,681 6.319,682 7.2,683 8.077,684 8.968,685 9.856,686 10.754,687 11.65,688 12.553,689 10,695 1,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 80,733 24,734 2,735 49,737 85,738 31,739 17,740 4,741 8,746 6,747 7,751 1,752 1,755 3,758 4,761 19,762 12,766 2,771 2,775 2,781 36,782 12,783 3,784 13,790 8,794 0.833,795 5,796 1,803 1,806 1,811 1,812 5,815 1,837 1,838 1,839 1,840 5,844 1,848 44,853 1,854 10,855 2,856 2,858 1,859 2,870 6.3,871 1,873 2,874 1,875 1,877 21.667,878 14.4,879 9.778,880 4.822,881 4.15,882 1.452,883 0.974,884 9.572,885 13.323,886 4.143,887 4.712,888 5.293,889 5.891,890 6.456,891 6.85,892 7.356,893 7.813,894 8.17,895 8.61,896 1,897 72,898 16.319,900 6.992,901 7.773,902 31.2,904 25.823,905 2.273,906 100,910 388.446,911 152.819,912 94.281,914 114.973,917 152.819,918 503.419,919 94.281,920 10.883,921 64.357,922 118.493,923 125.01,924 41.734,925 13.366,926 376.675,928 388.446,929 247.099,930 114.973,933 320.148,934 131.916,935 53.683,937 76.896,938 117.641,939 50.234,941 388.446,942 209.254,943 152.819,946 388.446,947 57.078,948 103.766,949 36.022,950 165.207,951 388.446,952 209.254,953 152.819,955 0.575,956 0.34,957 0.184,958 0.101,959 32,960 14,961 0.094,962 8,963 1,964 1.061,965 5.338,966 460.652,967 0.061,968 33,969 224.215,974 30.281,975 13.909,976 6.996,977 1.63,978 207.477,979 16.614,980 14.722,984 4.467,985 1.968,986 78.705,987 750.519,988 62,993 24.607,997 -0.668,999 80.821,1000 90.846,1001 0.258,1002 0.626,1003 0.794,1004 0.852,1005 0.864,1006 0.868,1007 5.391,1008 2.219,1009 6.293,1010 7.081,1011 4.92,1012 5.4,1013 2.857,1014 7.104,1015 4.824,1016 6.574,1017 1.85,1018 7.848,1019 6.509,1020 4.443,1021 5.182,1022 2.2,1023 7.997,1024 4.31,1025 7.873,1026 1.793,1027 9.502,1028 5.006,1029 6.512,1030 7.566,1031 3.824,1032 11.108,1033 6.324,1034 9.208,1035 1.487,1036 11.216,1037 4.93,1038 6.878,1039 8.219,1040 3.876,1041 12.857,1042 6.645,1043 10.578,1044 1.467,1045 12.97,1046 4.226,1047 8.383,1048 10.076,1049 5.122,1050 15.486,1051 8.102,1052 11.972,1053 1.219,1054 14.752,1055 3.712,1056 9.143,1057 11.151,1058 5.498,1059 17.604,1060 8.809,1061 13.385,1062 1.102,1063 16.554,1064 2.975,1065 10.42,1066 12.8,1067 6.553,1068 20.082,1069 10.04,1070 3.289,1071 1.069,1072 18.373,1073 2.844,1074 11.375,1075 14.095,1076 7.101,1077 22.37,1078 10.939,1079 2.889,1080 11.617,1081 20.205,1082 2.275,1083 12.561,1084 15.659,1085 8.048,1086 24.806,1087 12.077,1088 2.791,1089 9.601,1090 22.048,1091 4.638,1092 13.615,1093 17.07,1094 8.696,1095 27.174,1096 13.074,1097 2.71,1098 8.931,1099 23.9,1100 3.797,1101 14.77,1102 18.603,1103 9.58,1104 29.604,1105 14.18,1106 2.695,1107 8.496,1108 25.761,1109 3.649,1110 15.875,1111 20.073,1112 10.287,1113 32.01,1114 15.228,1115 2.499,1116 7.72,1117 27.629,1118 3.369,1119 17.025,1120 21.598,1121 11.134,1122 34.444,1123 16.327,1124 2.277,1125 7.196,1126 29.504,1127 3.164,1128 18.159,1129 23.097,1130 11.875,1131 36.87,1132 17.405,1133 34868,1134 57711,1135 33.402,1136 51.978,1137 73.275,1138 75.663,1139 75.316,1140 72.813,1141 72.86,1142 91.518,1143 13.112,1144 208.596,1145 69.349,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 19.629,1156 1.495,1157 1.544,1158 1.537,1159 1.486,1160 1.487,1161 1.868,1162 0.268,1163 4.257,1164 1.415,1165 4.143,1166 4.194,1167 4.118,1168 3.987,1169 7.434,1170 4.011,1171 3.949,1172 3.985,1173 3.89,1174 3.867,1175 7.43,1176 3.867,1177 3.89,1178 3.928,1179 3.827,1180 3.803,1181 6.456,1182 3.806,1183 3.814,1184 3.866,1185 3.724,1186 3.643,1187 5.135,1188 3.651,1189 3.715,1190 3.771,1191 3.608,1192 3.487,1193 4.765,1194 3.505,1195 3.511,1196 3.562,1197 3.437,1198 3.29,1199 4.728,1200 3.308,1201 3.426,1202 3.457,1203 3.334,1204 3.137,1205 4.623,1206 3.181,1207 3.348,1208 3.395,1209 3.229,1210 3.093,1211 4.519,1212 3.131,1213 0.096,1214 0.077,1215 0.141,1216 0.086,1217 0.067,1218 4.693,1219 0.095,1220 3.761,1221 0.045,1222 6.903,1223 0.237,1224 4.237,1225 0.064,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.957,1232 1.926,1233 2.052,1234 2.104,1235 1.409,1236 2.085,1237 1.922,1238 1.893,1239 2.042,1240 2.033,1241 1.219,1242 2.035,1243 1.846,1244 1.796,1245 2.011,1246 2.014,1247 1.213,1248 2.015,1249 1.776,1250 1.728,1251 1.932,1252 1.954,1253 1.105,1254 1.953,1255 1.584,1256 1.535,1257 1.72,1258 1.801,1259 0.882,1260 1.777,1261 1.437,1262 1.382,1263 1.679,1264 1.686,1265 0.853,1266 1.678,1267 1.339,1268 1.291,1269 1.602,1270 1.666,1271 0.825,1272 1.632,1273 1.234,1274 1.187,1275 1.513,1276 1.524,1277 0.825,1278 1.506,1279 4.595,1281 5.916,1282 2.398,1283 7.435,1284 4.727,1285 9.042,1286 6.862,1287 10.696,1289 1.402,1294 9.085,1295 5.994,1296 5.686,1297 10.483,1299 0.088,1300 3.923,1305 50.12,1306 130.447,1307 316.431,1308 401.49,1309 430.999,1310 436.999,1311 438.999,1312 83.256,1313 9.173,1314 146.97,1315 146.97,1316 35,1317 13.075,1318 4.644,1319 3.807,1320 66.219,1321 252,1322 346,1323 0.122,1324 302.979,1325 527.37,1326 731.03,1327 148528,1329 30.468,1330 0.692,1331 0.559,1332 30.468,1333 24.608,1334 21.517,1335 0.439,1336 0.302,1337 14.523,1338 20.398,1339 14.29,1340 11.728,1341 21.517,1342 14.812,1343 18.956,1344 0.279,1345 0.159,1346 18.956,1347 10.812,1348 16.452,1349 0.179,1350 0.087,1351 16.452,1352 8.001,1353 13.826,1354 0.113,1355 0.046,1356 13.826,1357 5.625,1358 11.362,1359 0.071,1360 0.025,1361 11.362,1362 3.939,1363 0.197,1364 136.852,1365 0.173,1366 39.253,1367 0.322,1368 234,1369 723.628,1370 263.802,1371 681.958,1372 931.96,1373 642,1374 277,1375 682.911,1376 307.033,1377 683.905,1378 1007.62,1379 643,1380 8}
{0 CHEMBL1098246,1 1.57,2 19.833,3 3.532,4 12.473,5 182.316,6 7.185,7 0.407,8 4.618,9 4.748,10 4.164,11 4.089,12 5.639,13 4.081,14 5.212,15 5.403,16 4.528,17 4.51,18 6.217,19 4.473,20 5.47,21 5.703,22 4.564,23 4.667,24 6.38,25 4.591,26 5.533,27 5.781,28 4.554,29 4.667,30 6.496,31 4.585,32 5.486,33 5.725,34 4.547,35 4.66,36 6.456,37 4.582,38 5.45,39 5.683,40 4.548,41 4.663,42 6.394,43 4.585,44 5.441,45 5.672,46 4.529,47 4.67,48 6.384,49 4.582,50 5.46,51 5.695,52 4.473,53 4.661,54 6.421,55 4.549,56 0.065,57 1.426,58 20.067,59 7.799,60 11.095,61 10.989,62 0.785,63 2.304,64 40.365,65 12.87,66 55.187,67 18.96,68 0.625,69 2.782,70 53.822,71 16.688,72 56.78,73 25.533,74 0.862,75 2.825,76 59.005,77 17.78,78 91.047,79 26.831,80 0.737,81 2.731,82 55.696,83 17.27,84 90.361,85 25.976,86 0.744,87 2.752,88 52.789,89 16.495,90 68.384,91 25.03,92 0.75,93 2.712,94 51.899,95 16.986,96 66.805,97 25.629,98 0.726,99 2.654,100 53.19,101 19.076,102 83.455,103 27.696,104 12,105 75,106 0.231,107 0.548,108 0.723,109 0.806,110 0.816,111 0.819,112 3.894,113 0.941,114 -4.95,115 -4.86,116 -4.56,119 38.5,121 5,124 1,125 9,127 1,142 8,143 3,144 2,145 1,147 1,149 1,159 2,161 1,166 1,172 10,174 6,175 14,178 2,179 1,180 4,183 11,186 2,187 7,192 4,195 6,198 6,199 18,204 6,207 5,211 2,212 12,217 5,220 4,223 3,224 13,227 2,229 2,232 12,236 5,237 4,240 1,242 1,245 16,249 6,250 5,253 4,255 1,258 12,262 1,263 6,266 2,268 2,271 6,275 6260,276 33.264,277 33.264,278 33.264,279 33.264,280 33.264,281 30.522,282 46.793,283 19.687,284 34.212,285 26.639,286 26.639,287 26.639,288 26.639,289 26.639,290 22.24,291 60.65,292 9.337,293 28.038,294 4.938,295 2.793,296 1.605,297 1.041,298 0.975,299 0.953,300 4.615,306 2120,307 4.183,310 302.778,311 819.215,314 232.483,318 2.896,319 43.925,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 104.5,331 952,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.889,346 3.797,347 1.656,348 9.601,349 2.764,350 4.069,351 3.377,352 6.107,353 3.756,354 2.792,355 3.649,356 0.86,357 8.931,358 2.674,359 4.011,360 3.028,361 6.011,362 3.686,363 2.714,364 3.369,365 0.8,366 8.496,367 2.646,368 3.91,369 2.905,370 5.603,371 3.631,372 2.701,373 3.164,374 0.8,375 7.728,376 2.493,377 3.812,378 2.823,379 5.561,380 3.514,381 2.566,382 3.091,383 0.655,384 7.264,385 2.439,386 3.603,387 2.715,388 5.442,389 3.416,390 2.462,391 2.879,392 0.247,393 7.094,394 2.333,395 3.491,396 2.549,397 5.34,398 3.228,399 2.27,400 2.551,401 0.13,402 6.963,403 2.166,404 3.408,405 2.407,406 5.151,407 3.175,408 2.202,409 2.5,411 6.439,412 2.131,413 3.262,414 2.316,415 4.789,416 2.84,417 1.843,418 2.455,420 5.004,421 1.826,422 2.996,423 2.298,424 4.642,425 2.72,426 1.793,427 2.15,428 4.93,429 1.656,430 2.95,431 2.075,432 4.4,433 2.432,434 1.487,435 2.047,436 4.225,437 1.405,438 2.701,439 1.535,440 4.24,441 2.393,442 1.467,443 1.722,445 3.712,446 1.339,447 2.5,448 1.528,449 3.96,450 2.273,451 1.293,452 1.5,454 2.975,455 1.265,456 2.5,457 1.461,458 3.759,459 2.108,460 1.219,461 1.5,463 2.844,464 1.075,465 22.433,466 0.467,467 0.982,468 0.02,469 58,470 1.208,471 24.5,472 0.51,473 33.5,474 0.698,475 50.034,476 1.042,477 53.167,478 0.584,479 51.68,480 1.077,481 11.184,482 0.233,483 12.35,484 0.257,485 0.052,487 0.316,493 0.801,494 1.568,495 0.798,496 1.254,497 0.559,498 1.055,499 0.93,500 1.11,501 0.947,502 0.958,503 0.549,504 0.952,505 0.949,506 1.172,507 0.989,508 1.04,509 0.747,510 1.014,511 1.068,512 0.972,513 0.992,514 0.937,515 1.185,516 0.945,517 1.075,518 1.06,519 0.969,520 0.949,521 1.25,522 0.941,523 0.924,524 1.053,525 1.019,526 0.989,527 0.929,528 1.004,529 0.752,530 1.04,531 1.017,532 1.048,533 0.601,534 1.059,535 0.62,536 1.016,537 0.993,538 1.175,539 0.71,540 1.153,541 8.5,542 0.381,543 5.111,544 2.257,545 2.192,546 1.882,547 1.265,548 0.616,549 0.454,550 0.504,551 51914,552 120894,553 2.174,554 47.3,556 30,558 1,559 2,561 6,562 4,564 1.84,565 2.087,566 4.173,567 0.127,573 142.826,574 1.57,575 3.715,576 4.903,577 5.467,578 5.532,579 5.554,580 3.686,581 5.168,582 5.547,583 4.427,584 4993.14,585 9.845,586 105006,591 592.209,592 1.198,593 5.539,594 0.157,595 0.007,596 0.068,597 0.03,598 0.03,599 0.025,600 0.017,601 0.008,602 0.007,603 0.009,604 0.357,605 0.17,606 0.63,607 0.599,608 291.406,609 -0.001,610 -0.284,611 0.083,612 -0.126,613 0.017,614 -0.027,615 0.115,616 0.051,617 0.012,618 0.054,619 0.13,620 0.017,621 -0.072,622 -0.104,623 -0.025,624 -0.045,625 0.009,626 -0.028,627 -0.065,628 0.048,629 0.001,630 0.031,631 -0.057,632 0.027,633 -0.093,634 -0.035,635 0.013,636 0.045,637 -0.096,638 0.045,639 -0.048,640 0.031,641 -0.057,642 0.003,643 -0.081,644 -0.022,645 0.046,646 0.044,647 -0.068,648 -0.036,649 0.021,650 -0.061,651 0.154,652 0.013,653 -0.047,654 -0.134,655 0.101,656 -0.129,657 1.97,658 5.813,659 0.792,660 84.819,661 1.003,662 1.136,663 3.724,664 13.871,665 0.646,666 4.007,667 4.331,668 4.625,669 4.898,670 5.142,671 5.303,672 5.541,673 5.727,674 5.886,675 6.073,676 11.17,677 0.615,678 653.87,679 4.007,680 5.557,681 6.415,682 7.292,683 8.167,684 9.052,685 9.936,686 10.829,687 11.72,688 12.618,689 9.9,692 1,695 1,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 91,733 24,734 2,735 54,737 97,738 35,739 17,740 4,741 8,746 7,747 8,751 1,755 5,758 6,761 19,762 16,766 2,771 2,775 2,781 43,782 12,783 2,784 13,790 9,794 0.857,795 4,803 1,806 1,808 1,811 2,812 5,815 1,836 1,837 1,839 1,840 6,844 1,848 48,854 14,855 2,856 2,858 1,859 3,870 4.4,873 2,874 1,875 1,877 23,878 16.4,879 10.528,880 5.772,881 4.297,882 1.449,883 0.996,884 10.383,885 13.871,886 4.22,887 4.773,888 5.337,889 5.921,890 6.475,891 6.87,892 7.375,893 7.838,894 8.198,895 8.633,896 1,897 76,898 17.852,900 7.666,901 7.625,902 34.764,904 29.222,905 2.125,906 102,910 482.615,911 164.205,912 97.405,914 72.29,917 164.205,918 554.905,919 97.405,920 10.883,921 75.743,922 75.81,923 125.01,924 44.858,925 13.366,926 470.844,928 482.615,929 261.61,930 72.29,933 367.232,934 179.001,935 11,937 91.407,938 117.641,939 50.234,941 482.615,942 169.695,943 164.205,946 482.615,947 68.464,948 106.89,949 36.022,950 122.524,951 482.615,952 169.695,953 164.205,955 0.578,956 0.34,957 0.182,958 0.096,959 36,960 15,961 0.093,962 9,963 1,964 1.053,965 5.789,966 515.369,967 0.053,968 38,969 246.078,974 32.777,975 15.206,976 7.784,977 1.66,978 167.918,979 17.485,980 14.818,984 4.927,985 1.986,986 36.022,987 816.515,988 67,993 24.855,997 -0.604,999 91.247,1000 103.381,1001 0.241,1002 0.571,1003 0.753,1004 0.84,1005 0.85,1006 0.854,1007 5.474,1008 2.27,1009 6.385,1010 7.094,1011 5.017,1012 5.462,1013 2.911,1014 7.185,1015 4.921,1016 6.645,1017 2.202,1018 7.932,1019 6.963,1020 4.511,1021 5.215,1022 2.242,1023 8.05,1024 4.367,1025 7.938,1026 1.843,1027 9.577,1028 6.439,1029 6.6,1030 7.598,1031 3.834,1032 11.158,1033 6.408,1034 9.265,1035 1.793,1036 11.283,1037 5.004,1038 6.948,1039 8.238,1040 3.882,1041 12.89,1042 6.703,1043 10.628,1044 1.487,1045 13.029,1046 4.93,1047 8.456,1048 10.09,1049 5.124,1050 15.512,1051 8.167,1052 12.015,1053 1.467,1054 14.803,1055 4.225,1056 9.202,1057 11.159,1058 5.499,1059 17.621,1060 8.856,1061 13.423,1062 1.293,1063 16.599,1064 3.712,1065 10.477,1066 12.805,1067 6.553,1068 20.094,1069 10.088,1070 3.289,1071 1.219,1072 18.411,1073 2.975,1074 11.42,1075 14.098,1076 7.102,1077 22.378,1078 10.975,1079 2.889,1080 11.617,1081 20.237,1082 2.844,1083 12.603,1084 15.661,1085 8.048,1086 24.812,1087 12.112,1088 2.792,1089 9.601,1090 22.075,1091 4.638,1092 13.648,1093 17.071,1094 8.696,1095 27.177,1096 13.1,1097 2.714,1098 8.931,1099 23.924,1100 3.797,1101 14.8,1102 18.604,1103 9.58,1104 29.606,1105 14.204,1106 2.701,1107 8.496,1108 25.781,1109 3.649,1110 15.899,1111 20.073,1112 10.287,1113 32.012,1114 15.247,1115 2.566,1116 7.728,1117 27.645,1118 3.369,1119 17.046,1120 21.598,1121 11.134,1122 34.445,1123 16.343,1124 2.462,1125 7.264,1126 29.517,1127 3.164,1128 18.176,1129 23.097,1130 11.875,1131 36.871,1132 17.418,1133 47392,1134 72691,1135 37.274,1136 58.813,1137 80.684,1138 82.887,1139 81.945,1140 80.512,1141 80.528,1142 99.192,1143 14.712,1144 229.519,1145 76.723,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.745,1156 1.494,1157 1.535,1158 1.517,1159 1.491,1160 1.491,1161 1.837,1162 0.272,1163 4.25,1164 1.421,1165 4.145,1166 4.196,1167 4.119,1168 3.989,1169 7.434,1170 4.013,1171 3.965,1172 4.008,1173 3.899,1174 3.875,1175 7.43,1176 3.875,1177 3.894,1178 3.936,1179 3.83,1180 3.804,1181 5.136,1182 3.807,1183 3.82,1184 3.882,1185 3.724,1186 3.665,1187 4.768,1188 3.662,1189 3.812,1190 3.863,1191 3.696,1192 3.643,1193 4.732,1194 3.651,1195 3.714,1196 3.771,1197 3.607,1198 3.487,1199 4.623,1200 3.505,1201 3.48,1202 3.531,1203 3.421,1204 3.259,1205 4.52,1206 3.278,1207 3.419,1208 3.451,1209 3.327,1210 3.132,1211 4.473,1212 3.174,1213 0.087,1214 0.07,1215 0.128,1216 0.078,1217 0.061,1218 4.693,1219 0.086,1220 3.761,1221 0.041,1222 6.903,1223 0.215,1224 4.237,1225 0.058,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.957,1232 1.926,1233 2.054,1234 2.104,1235 1.409,1236 2.085,1237 1.926,1238 1.895,1239 2.046,1240 2.036,1241 1.263,1242 2.04,1243 1.847,1244 1.796,1245 2.011,1246 2.016,1247 1.219,1248 2.017,1249 1.776,1250 1.728,1251 1.932,1252 1.956,1253 1.211,1254 1.954,1255 1.586,1256 1.536,1257 1.86,1258 1.813,1259 1.105,1260 1.805,1261 1.577,1262 1.507,1263 1.79,1264 1.783,1265 1.023,1266 1.793,1267 1.567,1268 1.494,1269 1.719,1270 1.751,1271 0.881,1272 1.771,1273 1.339,1274 1.291,1275 1.602,1276 1.671,1277 0.825,1278 1.632,1279 4.691,1281 6.014,1282 3.045,1283 7.526,1284 5.283,1285 9.122,1286 7.298,1287 10.766,1289 1.411,1295 12.516,1296 5.864,1297 10.527,1299 0.097,1300 6.459,1305 56.007,1306 142.826,1307 338.029,1308 446.151,1309 497.454,1310 503.454,1311 505.454,1312 83.819,1313 9.574,1314 129.98,1315 129.98,1316 40,1317 13.144,1318 4.644,1319 3.807,1320 68.894,1321 314,1322 376,1323 0.101,1324 336.753,1325 586.42,1326 813.439,1327 261166,1329 32.873,1330 0.685,1331 0.572,1332 32.873,1333 27.436,1334 23.534,1335 0.436,1336 0.314,1337 16.646,1338 22.398,1339 16.369,1340 13.435,1341 23.534,1342 16.945,1343 20.895,1344 0.279,1345 0.168,1346 20.895,1347 12.637,1348 18.213,1349 0.18,1350 0.094,1351 18.213,1352 9.516,1353 15.188,1354 0.114,1355 0.051,1356 15.188,1357 6.79,1358 12.149,1359 0.071,1360 0.027,1361 12.149,1362 4.55,1363 0.166,1364 148.863,1365 0.164,1366 42.476,1367 0.262,1368 258,1369 735.124,1370 288.444,1371 697.142,1372 962.38,1373 658,1374 305,1375 715.508,1376 336.534,1377 717.265,1378 1057.66,1379 675,1380 7.469}
{0 CHEMBL1098247,1 1.57,2 21.34,3 3.028,4 9.169,5 190.826,6 7.114,7 0.393,8 4.669,9 4.803,10 4.206,11 4.123,12 5.687,13 4.116,14 5.264,15 5.464,16 4.567,17 4.54,18 6.257,19 4.507,20 5.518,21 5.747,22 4.627,23 4.731,24 6.429,25 4.657,26 5.632,27 5.887,28 4.594,29 4.751,30 6.56,31 4.652,32 5.586,33 5.845,34 4.576,35 4.712,36 6.511,37 4.624,38 5.489,39 5.721,40 4.577,41 4.701,42 6.425,43 4.62,44 5.497,45 5.733,46 4.569,47 4.716,48 6.427,49 4.624,50 5.521,51 5.761,52 4.527,53 4.714,54 6.47,55 4.602,56 0.064,57 1.508,58 21.545,59 8.003,60 12.181,61 11.601,62 0.86,63 2.41,64 43.321,65 12.858,66 57.925,67 19.617,68 0.669,69 2.942,70 56.403,71 17.391,72 57.272,73 26.832,74 0.888,75 3.048,76 65.381,77 19.873,78 94.744,79 30.424,80 0.852,81 2.898,82 62.857,83 18.652,84 97.717,85 28.948,86 0.759,87 2.842,88 55.03,89 17.023,90 69.321,91 26.172,92 0.769,93 2.833,94 55.352,95 17.944,96 69.779,97 27.442,98 0.765,99 2.792,100 56.928,101 19.979,102 86.598,103 29.42,104 19,105 78,106 0.229,107 0.538,108 0.718,109 0.798,110 0.82,111 0.823,112 3.934,113 0.939,114 -4.43,115 -4.36,116 -4.11,119 37.5,121 3,124 2,125 11,127 1,142 8,143 3,144 2,145 1,147 1,149 1,159 2,161 1,166 1,172 9,174 6,175 12,178 2,179 1,180 4,183 11,186 3,187 7,192 4,195 6,198 6,199 18,204 6,207 3,211 2,212 13,217 5,220 2,223 3,224 14,227 2,229 2,232 8,236 5,237 6,240 1,242 1,245 12,249 6,250 7,253 4,255 1,258 12,262 1,263 6,266 2,271 6,275 6930,276 34.419,277 34.419,278 34.419,279 34.419,280 34.419,281 31.677,282 49.221,283 20.273,284 35.485,285 27.605,286 27.605,287 27.605,288 27.605,289 27.605,290 23.206,291 65.864,292 9.622,293 29.175,294 5.015,295 2.902,296 1.673,297 1.12,298 0.974,299 0.953,300 4.653,306 2365,307 4.243,310 139.192,311 1074.55,314 246.51,318 3.126,319 45.216,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 109,331 1067,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.889,346 3.797,347 1.656,348 9.601,349 2.764,350 4.07,351 3.377,352 6.107,353 3.756,354 2.792,355 3.649,356 0.86,357 8.931,358 2.674,359 4.011,360 3.028,361 6.011,362 3.688,363 2.716,364 3.369,365 0.8,366 8.496,367 2.646,368 3.91,369 2.967,370 5.603,371 3.631,372 2.702,373 3.164,374 0.8,375 7.729,376 2.493,377 3.813,378 2.824,379 5.561,380 3.548,381 2.617,382 3.091,383 0.8,384 7.3,385 2.447,386 3.635,387 2.763,388 5.458,389 3.452,390 2.487,391 2.879,392 0.655,393 7.111,394 2.374,395 3.542,396 2.551,397 5.376,398 3.237,399 2.278,400 2.611,401 0.247,402 7.047,403 2.18,404 3.409,405 2.483,406 5.167,407 3.191,408 2.226,409 2.505,410 0.13,411 6.483,412 2.137,413 3.276,414 2.399,415 4.878,416 2.98,417 2.06,418 2.478,420 5.661,421 1.897,422 3.073,423 2.305,424 4.789,425 2.823,426 1.833,427 2.151,428 5,429 1.796,430 2.996,431 2.288,432 4.641,433 2.72,434 1.792,435 2.08,436 4.93,437 1.655,438 2.949,439 2.075,440 4.399,441 2.432,442 1.486,443 2.047,445 4.225,446 1.404,447 2.701,448 1.535,449 4.24,450 2.393,451 1.466,452 1.722,454 3.712,455 1.339,456 2.5,457 1.528,458 3.96,459 2.108,460 1.219,461 1.5,463 2.975,464 1.075,465 23.333,466 0.467,467 1.088,468 0.022,469 59.75,470 1.195,471 24.5,472 0.49,473 35.25,474 0.705,475 53.069,476 1.061,477 55.867,478 0.582,479 54.722,480 1.094,481 11.795,482 0.236,483 12.634,484 0.253,485 0.071,487 0.321,493 0.818,494 1.65,495 0.809,496 1.298,497 0.57,498 1.083,499 1.007,500 1.07,501 0.953,502 0.894,503 0.563,504 0.903,505 0.964,506 1.171,507 1.024,508 1.066,509 0.761,510 1.047,511 0.993,512 1.016,513 1.001,514 1.007,515 1.122,516 1.004,517 1.032,518 0.974,519 0.914,520 0.872,521 1.178,522 0.87,523 0.931,524 1.07,525 1.035,526 1.017,527 0.941,528 1.029,529 0.732,530 1.049,531 0.992,532 1.053,533 0.595,534 1.052,535 0.624,536 1.009,537 0.972,538 1.153,539 0.701,540 1.127,541 9.5,542 0.417,543 5.556,544 2.285,545 2.409,546 1.997,547 1.275,548 0.684,549 0.526,550 0.519,551 58637,552 136971,553 2.154,554 47.9,556 37,558 1,559 2,561 2,562 4,564 1.849,565 2.055,566 4.265,567 0.127,573 150.736,574 1.57,575 3.683,576 4.912,577 5.465,578 5.611,579 5.632,580 3.811,581 5.164,582 5.607,583 4.509,584 5523.99,585 9.957,586 121377,591 632.156,592 1.26,593 5.592,594 0.17,595 0.007,596 0.071,597 0.028,598 0.032,599 0.026,600 0.017,601 0.009,602 0.007,603 0.008,604 0.375,605 0.17,606 0.63,607 0.63,608 308.214,609 -0.001,610 -0.342,611 0.086,612 -0.155,613 0.013,614 -0.042,615 0.076,616 0.101,617 0.023,618 0.108,619 0.124,620 0.062,621 -0.082,622 -0.075,623 -0.063,624 -0.055,625 -0.004,626 -0.054,627 -0.046,628 -0.01,629 -0.016,630 -0.022,631 -0.042,632 -0.017,633 -0.073,634 0.015,635 0.076,636 0.111,637 -0.066,638 0.118,639 -0.055,640 0.023,641 -0.073,642 -0.01,643 -0.083,644 -0.038,645 0.054,646 0.031,647 -0.042,648 -0.027,649 0.03,650 -0.043,651 0.147,652 0.023,653 -0.025,654 -0.105,655 0.108,656 -0.097,657 1.975,658 5.868,659 0.78,660 92.48,661 1.002,662 1.138,663 3.198,664 10.226,665 0.641,666 4.043,667 4.369,668 4.654,669 4.92,670 5.198,671 5.333,672 5.557,673 5.746,674 5.908,675 6.091,676 11.793,677 0.61,678 682.92,679 4.043,680 5.595,681 6.45,682 7.327,683 8.199,684 9.084,685 9.966,686 10.857,687 11.747,688 12.643,689 10.4,692 2,695 1,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 96,733 24,734 2,735 56,737 102,738 36,739 17,740 4,741 8,746 7,747 8,751 1,755 3,758 4,761 19,762 17,766 2,771 2,775 2,781 46,782 13,783 2,784 14,790 10,794 0.857,795 4,803 1,806 1,811 1,812 6,815 1,836 2,837 1,839 1,840 6,844 2,848 50,854 14,855 2,856 2,858 1,859 4,870 4.2,873 2,874 1,875 1,877 24.333,878 17.6,879 10.944,880 5.922,881 4.335,882 1.446,883 0.989,884 11.118,885 14.062,886 4.248,887 4.798,888 5.351,889 5.929,890 6.49,891 6.876,892 7.378,893 7.841,894 8.202,895 8.637,896 1,897 81,898 18.588,900 7.935,901 7.62,902 36.179,904 30.21,905 2.12,906 106,910 517.928,911 171.744,912 100.529,914 72.29,917 171.744,918 590.218,919 100.529,920 19.279,921 74.886,922 75.81,923 125.01,924 47.982,925 13.366,926 506.157,928 517.928,929 272.273,930 72.29,933 449.63,934 131.916,935 11,937 93.673,938 126.038,939 50.234,941 517.928,942 172.819,943 171.744,946 517.928,947 67.607,948 118.411,949 36.022,950 122.524,951 517.928,952 172.819,953 171.744,955 0.58,956 0.338,957 0.178,958 0.1,959 37,960 16,961 0.088,962 9,963 1,964 1.051,965 5.927,966 540.323,967 0.051,968 39,969 262.193,974 34.647,975 16.044,976 8.409,977 1.656,978 171.042,979 17.485,980 14.832,984 4.9,985 1.986,986 36.022,987 862.491,988 69,993 24.923,997 -0.609,999 96.232,1000 109.294,1001 0.238,1002 0.559,1003 0.746,1004 0.83,1005 0.852,1006 0.855,1007 5.507,1008 2.278,1009 6.425,1010 7.111,1011 5.056,1012 5.487,1013 2.962,1014 7.222,1015 4.953,1016 6.679,1017 2.226,1018 7.972,1019 7.047,1020 4.575,1021 5.247,1022 2.282,1023 8.084,1024 4.421,1025 7.97,1026 2.06,1027 9.616,1028 6.483,1029 6.64,1030 7.613,1031 3.844,1032 11.182,1033 6.437,1034 9.294,1035 1.833,1036 11.319,1037 5.661,1038 6.986,1039 8.248,1040 3.888,1041 12.903,1042 6.73,1043 10.653,1044 1.792,1045 13.061,1046 5,1047 8.491,1048 10.097,1049 5.125,1050 15.524,1051 8.191,1052 12.037,1053 1.486,1054 14.831,1055 4.93,1056 9.228,1057 11.163,1058 5.5,1059 17.626,1060 8.873,1061 13.441,1062 1.466,1063 16.622,1064 4.225,1065 10.505,1066 12.808,1067 6.553,1068 20.099,1069 10.105,1070 3.289,1071 1.219,1072 18.431,1073 3.712,1074 11.441,1075 14.1,1076 7.102,1077 22.38,1078 10.986,1079 2.889,1080 11.617,1081 20.254,1082 2.975,1083 12.624,1084 15.662,1085 8.048,1086 24.814,1087 12.123,1088 2.792,1089 9.601,1090 22.089,1091 4.638,1092 13.664,1093 17.072,1094 8.696,1095 27.178,1096 13.108,1097 2.716,1098 8.931,1099 23.934,1100 3.797,1101 14.816,1102 18.604,1103 9.58,1104 29.607,1105 14.212,1106 2.702,1107 8.496,1108 25.789,1109 3.649,1110 15.911,1111 20.073,1112 10.287,1113 32.012,1114 15.253,1115 2.617,1116 7.729,1117 27.652,1118 3.369,1119 17.058,1120 21.598,1121 11.134,1122 34.445,1123 16.349,1124 2.487,1125 7.3,1126 29.523,1127 3.164,1128 18.185,1129 23.097,1130 11.875,1131 36.871,1132 17.422,1133 53819,1134 82658,1135 38.372,1136 61.58,1137 84.039,1138 85.998,1139 85.726,1140 83.495,1141 83.502,1142 102.161,1143 16.312,1144 238.51,1145 79.249,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 21.415,1156 1.501,1157 1.536,1158 1.531,1159 1.491,1160 1.491,1161 1.824,1162 0.291,1163 4.259,1164 1.415,1165 4.145,1166 4.197,1167 4.119,1168 3.989,1169 7.434,1170 4.013,1171 3.964,1172 4.008,1173 3.899,1174 3.873,1175 7.43,1176 3.874,1177 3.894,1178 3.936,1179 3.83,1180 3.804,1181 5.136,1182 3.807,1183 3.819,1184 3.887,1185 3.724,1186 3.644,1187 4.768,1188 3.652,1189 3.813,1190 3.865,1191 3.705,1192 3.623,1193 4.732,1194 3.633,1195 3.714,1196 3.771,1197 3.607,1198 3.486,1199 4.624,1200 3.505,1201 3.492,1202 3.552,1203 3.427,1204 3.271,1205 4.52,1206 3.289,1207 3.424,1208 3.46,1209 3.33,1210 3.139,1211 4.473,1212 3.18,1213 0.084,1214 0.067,1215 0.123,1216 0.076,1217 0.059,1218 4.693,1219 0.083,1220 3.761,1221 0.039,1222 6.903,1223 0.207,1224 4.237,1225 0.056,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.958,1232 1.926,1233 2.065,1234 2.104,1235 1.409,1236 2.086,1237 1.929,1238 1.898,1239 2.049,1240 2.057,1241 1.339,1242 2.061,1243 1.847,1244 1.797,1245 2.012,1246 2.023,1247 1.219,1248 2.021,1249 1.778,1250 1.728,1251 1.974,1252 1.986,1253 1.185,1254 1.984,1255 1.77,1256 1.699,1257 1.932,1258 1.948,1259 1.105,1260 1.95,1261 1.584,1262 1.535,1263 1.72,1264 1.8,1265 0.888,1266 1.776,1267 1.423,1268 1.355,1269 1.677,1270 1.676,1271 0.878,1272 1.665,1273 1.339,1274 1.291,1275 1.602,1276 1.655,1277 0.825,1278 1.631,1279 4.727,1281 6.052,1282 2.398,1283 7.569,1284 4.727,1285 9.169,1286 6.862,1287 10.814,1289 3.584,1295 11.909,1296 5.877,1297 10.536,1299 0.095,1300 8.827,1305 58.556,1306 150.736,1307 353.573,1308 471.588,1309 524.647,1310 538.647,1311 540.647,1312 88.988,1313 9.727,1314 133.22,1315 133.22,1316 41,1317 13.17,1318 4.644,1319 3.807,1320 73.369,1321 349,1322 436,1323 0.098,1324 353.14,1325 614.72,1326 853.422,1327 322269,1329 34.451,1330 0.689,1331 0.578,1332 34.451,1333 28.884,1334 24.428,1335 0.436,1336 0.313,1337 17.189,1338 23.179,1339 16.847,1340 13.841,1341 24.428,1342 17.524,1343 21.87,1344 0.28,1345 0.17,1346 21.87,1347 13.233,1348 18.873,1349 0.181,1350 0.095,1351 18.873,1352 9.913,1353 15.507,1354 0.114,1355 0.05,1356 15.507,1357 6.855,1358 13.045,1359 0.072,1360 0.028,1361 13.045,1362 5.016,1363 0.161,1364 154.923,1365 0.161,1366 43.979,1367 0.25,1368 268,1369 764.769,1370 300.192,1371 724.928,1372 997.94,1373 684,1374 316,1375 738.269,1376 349.754,1377 741.878,1378 1091.47,1379 696,1380 7.678}
{0 CHEMBL1098248,1 1.6,2 20.592,3 2.758,4 7.609,5 183.85,6 7.281,7 0.4,8 4.634,9 4.76,10 4.19,11 4.088,12 5.668,13 4.089,14 5.227,15 5.414,16 4.547,17 4.5,18 6.248,19 4.474,20 5.475,21 5.699,22 4.601,23 4.675,24 6.406,25 4.611,26 5.554,27 5.797,28 4.574,29 4.694,30 6.516,31 4.611,32 5.53,33 5.775,34 4.564,35 4.678,36 6.487,37 4.599,38 5.467,39 5.697,40 4.564,41 4.671,42 6.415,43 4.596,44 5.452,45 5.68,46 4.557,47 4.678,48 6.407,49 4.596,50 5.482,51 5.713,52 4.505,53 4.672,54 6.455,55 4.568,56 0.096,57 1.43,58 20.058,59 7.822,60 11.293,61 10.881,62 0.906,63 2.285,64 41.032,65 12.698,66 59.825,67 18.445,68 0.814,69 2.786,70 53.863,71 16.441,72 61.315,73 24.913,74 0.929,75 2.883,76 59.695,77 18.257,78 92.144,79 27.437,80 0.893,81 2.784,82 58.741,83 17.935,84 97.402,85 27.061,86 0.851,87 2.765,88 53.538,89 16.627,90 71.285,91 25.107,92 0.808,93 2.726,94 52.156,95 17.096,96 68.413,97 25.675,98 0.824,99 2.678,100 54.275,101 19.284,102 87.701,103 27.826,104 12,105 76,106 0.235,107 0.55,108 0.717,109 0.793,110 0.818,111 0.821,112 3.915,113 0.928,114 -4.25,115 -4.19,116 -3.96,119 38,121 3,124 1,125 11,127 1,142 8,143 3,144 2,145 1,147 1,149 1,159 2,161 1,166 1,172 9,174 6,175 12,178 2,179 1,180 4,183 11,186 3,187 7,192 4,195 6,198 6,199 18,204 6,207 3,211 2,212 13,217 5,220 2,223 3,224 14,227 2,229 2,232 8,236 5,237 6,240 1,242 1,245 12,249 6,250 7,253 4,255 1,258 12,262 1,263 6,266 2,271 6,275 6591,276 33.971,277 33.971,278 33.971,279 33.971,280 33.971,281 31.229,282 47.569,283 20.187,284 35.079,285 27.139,286 27.139,287 27.139,288 27.139,289 27.139,290 22.74,291 62.191,292 9.587,293 28.761,294 4.924,295 2.785,296 1.653,297 1.139,298 0.965,299 0.943,300 4.636,306 2242,307 4.183,310 134.845,311 1045.87,314 238.902,318 3.005,319 47.513,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 107.5,331 1009,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.889,346 3.797,347 1.656,348 9.601,349 2.764,350 4.069,351 3.377,352 6.107,353 3.756,354 2.792,355 3.649,356 0.86,357 8.931,358 2.674,359 4.011,360 3.028,361 6.011,362 3.686,363 2.713,364 3.369,365 0.86,366 8.496,367 2.645,368 3.91,369 2.926,370 5.603,371 3.63,372 2.701,373 3.164,374 0.8,375 7.728,376 2.493,377 3.812,378 2.824,379 5.561,380 3.503,381 2.555,382 3.091,383 0.8,384 7.259,385 2.434,386 3.597,387 2.733,388 5.44,389 3.397,390 2.454,391 2.879,392 0.655,393 7.093,394 2.293,395 3.477,396 2.55,397 5.332,398 3.226,399 2.269,400 2.541,401 0.247,402 6.943,403 2.159,404 3.408,405 2.41,406 5.149,407 3.172,408 2.201,409 2.498,410 0.13,411 6.433,412 2.125,413 3.261,414 2.329,415 4.789,416 2.839,417 1.844,418 2.446,420 5.003,421 1.824,422 2.996,423 2.3,424 4.642,425 2.72,426 1.793,427 2.15,428 4.93,429 1.656,430 2.95,431 2.129,432 4.4,433 2.433,434 1.498,435 2.047,436 4.225,437 1.405,438 2.701,439 2.075,440 4.24,441 2.393,442 1.483,443 1.722,445 3.712,446 1.339,447 2.508,448 1.535,449 3.96,450 2.359,451 1.463,452 1.508,454 3.147,455 1.288,456 2.5,457 1.528,458 3.759,459 2.108,460 1.219,461 1.5,463 2.975,464 1.075,465 22.767,466 0.465,467 0.982,468 0.02,469 59,470 1.204,471 24.5,472 0.5,473 34.5,474 0.704,475 50.843,476 1.038,477 54.633,478 0.594,479 53.64,480 1.095,481 11.682,482 0.238,483 12.352,484 0.252,485 0.051,487 0.312,493 0.82,494 1.598,495 0.784,496 1.285,497 0.577,498 1.062,499 1.053,500 1.091,501 0.965,502 0.927,503 0.618,504 0.928,505 0.984,506 1.156,507 1.006,508 1.013,509 0.784,510 1.004,511 0.964,512 1.021,513 1.014,514 1.003,515 1.141,516 1.009,517 1.001,518 1.027,519 0.94,520 0.92,521 1.194,522 0.917,523 0.903,524 1.053,525 1.021,526 0.99,527 0.925,528 1.01,529 0.714,530 1.053,531 0.997,532 1.061,533 0.589,534 1.063,535 0.653,536 1.02,537 0.992,538 1.177,539 0.713,540 1.155,541 8.5,542 0.388,543 5.111,544 2.222,545 2.218,546 1.941,547 1.236,548 0.622,549 0.477,550 0.509,551 55226,552 136800,553 2.17,554 46.7,556 34,558 1,559 2,561 2,562 4,564 1.844,565 2.085,566 4.22,567 0.137,573 147.174,574 1.6,575 3.739,576 4.871,577 5.385,578 5.559,579 5.581,580 3.727,581 5.125,582 5.577,583 4.467,584 5252.84,585 9.902,586 112931,591 600.168,592 1.187,593 5.569,594 0.155,595 0.007,596 0.067,597 0.028,598 0.03,599 0.026,600 0.016,601 0.008,602 0.007,603 0.008,604 0.352,605 0.17,606 0.63,607 0.59,608 299.767,609 -0.014,610 -0.309,611 0.084,612 -0.151,613 0.009,614 -0.037,615 0.042,616 0.063,617 -0.002,618 0.079,619 0.095,620 0.031,621 -0.087,622 -0.073,623 -0.046,624 -0.015,625 -0.014,626 -0.022,627 -0.065,628 0.012,629 -0.039,630 -0.021,631 -0.06,632 -0.026,633 -0.084,634 -0.02,635 0.039,636 0.072,637 -0.089,638 0.077,639 -0.062,640 0.032,641 -0.067,642 0.007,643 -0.088,644 -0.024,645 0.04,646 0.038,647 -0.059,648 -0.041,649 0.026,650 -0.059,651 0.121,652 0.011,653 -0.05,654 -0.132,655 0.094,656 -0.128,657 1.983,658 5.834,659 0.796,660 88.542,661 1.006,662 1.137,663 3.019,664 9.113,665 0.644,666 4.025,667 4.344,668 4.635,669 4.905,670 5.176,671 5.313,672 5.549,673 5.733,674 5.897,675 6.082,676 11.474,677 0.617,678 669.87,679 4.025,680 5.572,681 6.428,682 7.303,683 8.176,684 9.06,685 9.942,686 10.834,687 11.724,688 12.621,689 9.8,692 1,695 1,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 92,733 24,734 2,735 55,737 98,738 35,739 17,740 4,741 8,746 7,747 8,751 1,755 3,758 4,761 19,762 16,766 2,771 2,775 2,781 43,782 13,783 2,784 14,790 9,794 0.857,795 5,803 1,806 1,811 1,812 6,815 1,836 1,837 1,839 2,840 6,844 1,848 49,854 14,855 2,856 3,858 1,859 3,870 5.4,873 2,874 2,875 1,877 23.5,878 16.567,879 10.778,880 5.689,881 4.317,882 1.447,883 0.99,884 10.884,885 13.971,886 4.234,887 4.781,888 5.342,889 5.924,890 6.484,891 6.872,892 7.377,893 7.839,894 8.199,895 8.635,896 0.929,897 79,898 18.212,900 7.794,901 7.653,902 35.299,904 29.428,905 2.153,906 105.5,910 482.615,911 168.321,912 97.405,914 83.29,917 168.321,918 565.905,919 97.405,920 10.883,921 79.859,922 75.81,923 136.01,924 44.858,925 13.366,926 470.844,928 482.615,929 265.726,930 83.29,933 414.316,934 131.916,935 22,937 95.522,938 117.641,939 50.234,941 482.615,942 180.695,943 168.321,946 482.615,947 72.58,948 106.89,949 36.022,950 133.524,951 482.615,952 180.695,953 168.321,955 0.577,956 0.338,957 0.181,958 0.1,959 36,960 15,961 0.092,962 9,963 1,964 1.051,965 5.868,966 527.348,967 0.051,968 39,969 255.121,974 33.693,975 15.829,976 8.166,977 1.651,978 178.918,979 17.373,980 14.814,984 4.845,985 1.982,986 36.022,987 831.63,988 68,993 24.881,997 -0.619,999 92.574,1000 104.59,1001 0.245,1002 0.573,1003 0.747,1004 0.825,1005 0.852,1006 0.855,1007 5.487,1008 2.269,1009 6.395,1010 7.093,1011 5.03,1012 5.47,1013 2.988,1014 7.191,1015 4.925,1016 6.654,1017 2.201,1018 7.939,1019 6.943,1020 4.511,1021 5.215,1022 2.242,1023 8.05,1024 4.367,1025 7.945,1026 1.844,1027 9.582,1028 6.433,1029 6.608,1030 7.601,1031 3.857,1032 11.159,1033 6.404,1034 9.269,1035 1.793,1036 11.286,1037 5.003,1038 6.938,1039 8.235,1040 3.882,1041 12.888,1042 6.693,1043 10.63,1044 1.498,1045 13.03,1046 4.93,1047 8.461,1048 10.091,1049 5.128,1050 15.512,1051 8.162,1052 12.016,1053 1.483,1054 14.804,1055 4.225,1056 9.193,1057 11.158,1058 5.499,1059 17.62,1060 8.847,1061 13.422,1062 1.463,1063 16.599,1064 3.712,1065 10.478,1066 12.805,1067 6.554,1068 20.094,1069 10.082,1070 3.289,1071 1.219,1072 18.411,1073 3.147,1074 11.414,1075 14.098,1076 7.102,1077 22.377,1078 10.967,1079 2.889,1080 11.617,1081 20.237,1082 2.975,1083 12.602,1084 15.661,1085 8.049,1086 24.811,1087 12.106,1088 2.792,1089 9.601,1090 22.075,1091 4.638,1092 13.644,1093 17.071,1094 8.696,1095 27.177,1096 13.094,1097 2.713,1098 8.931,1099 23.923,1100 3.797,1101 14.799,1102 18.604,1103 9.58,1104 29.606,1105 14.199,1106 2.701,1107 8.496,1108 25.78,1109 3.649,1110 15.896,1111 20.073,1112 10.287,1113 32.012,1114 15.242,1115 2.555,1116 7.728,1117 27.645,1118 3.369,1119 17.045,1120 21.598,1121 11.134,1122 34.445,1123 16.34,1124 2.454,1125 7.259,1126 29.517,1127 3.164,1128 18.174,1129 23.097,1130 11.875,1131 36.871,1132 17.414,1133 50530,1134 79788,1135 37.967,1136 59.268,1137 82.208,1138 84.555,1139 83.582,1140 81.852,1141 81.89,1142 100.552,1143 16.432,1144 232.249,1145 77.54,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.998,1156 1.495,1157 1.537,1158 1.52,1159 1.488,1160 1.489,1161 1.828,1162 0.299,1163 4.223,1164 1.41,1165 4.144,1166 4.196,1167 4.119,1168 3.988,1169 7.434,1170 4.013,1171 3.96,1172 4,1173 3.897,1174 3.873,1175 7.43,1176 3.872,1177 3.893,1178 3.932,1179 3.829,1180 3.804,1181 5.136,1182 3.807,1183 3.814,1184 3.868,1185 3.724,1186 3.643,1187 4.77,1188 3.652,1189 3.777,1190 3.833,1191 3.662,1192 3.566,1193 4.733,1194 3.58,1195 3.714,1196 3.771,1197 3.607,1198 3.486,1199 4.627,1200 3.504,1201 3.478,1202 3.526,1203 3.42,1204 3.241,1205 4.617,1206 3.269,1207 3.419,1208 3.45,1209 3.327,1210 3.128,1211 4.519,1212 3.172,1213 0.085,1214 0.068,1215 0.126,1216 0.077,1217 0.06,1218 4.693,1219 0.084,1220 3.761,1221 0.04,1222 6.903,1223 0.211,1224 4.237,1225 0.057,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.958,1232 1.926,1233 2.059,1234 2.104,1235 1.409,1236 2.086,1237 1.928,1238 1.897,1239 2.048,1240 2.046,1241 1.301,1242 2.051,1243 1.847,1244 1.796,1245 2.012,1246 2.021,1247 1.219,1248 2.019,1249 1.776,1250 1.728,1251 1.933,1252 1.966,1253 1.141,1254 1.959,1255 1.715,1256 1.655,1257 1.923,1258 1.934,1259 1.105,1260 1.935,1261 1.584,1262 1.535,1263 1.72,1264 1.799,1265 0.882,1266 1.776,1267 1.381,1268 1.325,1269 1.628,1270 1.673,1271 0.854,1272 1.633,1273 1.339,1274 1.291,1275 1.602,1276 1.623,1277 0.825,1278 1.616,1279 4.71,1281 6.028,1282 2.398,1283 7.543,1284 4.727,1285 9.142,1286 6.862,1287 10.786,1289 1.409,1295 10.905,1296 5.85,1297 15.957,1299 0.093,1300 6.36,1305 56.722,1306 147.174,1307 343.987,1308 448.11,1309 495.413,1310 511.413,1311 513.413,1312 86.732,1313 9.654,1314 139.21,1315 139.21,1316 41,1317 13.147,1318 4.644,1319 3.807,1320 71.111,1321 331,1322 405,1323 0.1,1324 340.75,1325 595.21,1326 823.189,1327 292308,1329 33.581,1330 0.685,1331 0.568,1332 33.581,1333 27.845,1334 24.034,1335 0.437,1336 0.309,1337 16.684,1338 22.753,1339 16.419,1340 13.433,1341 24.034,1342 17.022,1343 21.248,1344 0.28,1345 0.165,1346 21.248,1347 12.542,1348 18.463,1349 0.181,1350 0.092,1351 18.463,1352 9.421,1353 15.365,1354 0.115,1355 0.049,1356 15.365,1357 6.608,1358 12.761,1359 0.073,1360 0.027,1361 12.761,1362 4.69,1363 0.163,1364 152.863,1365 0.162,1366 43.231,1367 0.256,1368 262,1369 782.859,1370 295.322,1371 734.289,1372 1007.5,1373 694,1374 309,1375 739.144,1376 343.303,1377 739.049,1378 1089.9,1379 695,1380 7.387}
{0 CHEMBL1098300,1 1.636,2 11.656,3 3.31,4 10.953,5 118.183,6 7.972,7 0.611,8 4.123,9 4.236,10 3.758,11 3.622,12 5.263,13 3.637,14 4.652,15 4.811,16 4.112,17 3.995,18 5.801,19 3.995,20 4.83,21 5.025,22 4.156,23 4.112,24 5.894,25 4.088,26 4.872,27 5.087,28 4.148,29 4.119,30 5.963,31 4.089,32 4.855,33 5.054,34 4.164,35 4.155,36 5.924,37 4.124,38 4.871,39 5.062,40 4.149,41 4.173,42 5.922,43 4.134,44 4.891,45 5.106,46 4.062,47 4.154,48 5.893,49 4.09,50 4.848,51 5.06,52 3.963,53 4.138,54 5.865,55 4.034,56 0.094,57 0.852,58 9.823,59 4.475,60 8.017,61 5.514,62 0.566,63 1.343,64 20.143,65 7.135,66 38.463,67 9.052,68 0.457,69 1.588,70 25.172,71 8.518,72 33.953,73 11.537,74 0.544,75 1.657,76 27.05,77 8.588,78 49.273,79 11.792,80 0.445,81 1.598,82 26.098,83 9.102,84 43.178,85 12.29,86 0.453,87 1.669,88 25.427,89 8.855,90 37.005,91 11.73,92 0.558,93 1.643,94 27.35,95 9.18,96 37.823,97 12.733,98 0.454,99 1.506,100 26.104,101 10.872,102 44.222,103 14.911,104 8,105 50,106 0.267,107 0.613,108 0.733,109 0.795,110 0.816,111 0.816,112 3.503,113 0.86,114 -4.76,115 -4.67,116 -4.39,119 42.6,124 1,125 4,142 9,143 2,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 8,174 4,175 9,178 2,180 2,183 8,186 2,187 8,192 2,195 4,198 5,199 15,204 1,207 3,211 1,212 13,220 4,224 13,227 2,232 5,236 3,237 7,245 6,249 4,250 4,253 2,255 1,258 9,263 4,266 1,271 6,275 1818,276 22.3,277 22.3,278 22.3,279 22.3,280 22.3,281 19.699,282 24.537,283 13.315,284 22.984,285 17.762,286 17.762,287 17.762,288 17.762,289 17.762,290 13.731,291 29.956,292 6.306,293 18.754,294 4.119,295 1.996,296 1.26,297 0.88,298 0.755,299 0.755,300 4.215,304 1,305 1,306 822,307 3.082,310 72.282,311 365.663,314 129.171,318 1.699,319 26.735,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 70,331 373,332 4.706,333 3.642,334 6.903,335 4.236,336 3.287,337 4.661,338 2.186,339 11.616,340 3.119,341 4.208,342 3.378,343 6.327,344 3.812,345 2.851,346 3.823,347 0.86,348 9.586,349 2.754,350 4.067,351 3.026,352 6.107,353 3.715,354 2.763,355 3.609,356 0.8,357 8.93,358 2.621,359 3.816,360 2.822,361 5.574,362 3.474,363 2.525,364 3.185,365 0.366,366 7.328,367 2.385,368 3.65,369 2.522,370 5.464,371 3.28,372 2.32,373 3.027,375 7.135,376 2.215,377 3.454,378 2.381,379 4.798,380 3.008,381 2.047,382 2.689,384 5.327,385 1.943,386 3.14,387 2.191,388 4.776,389 2.786,390 1.843,391 2.295,393 4.963,394 1.737,395 2.962,396 1.731,397 4.413,398 2.456,399 1.515,400 2.165,402 4.252,403 1.419,404 2.853,405 1.535,406 4.161,407 2.433,408 1.482,409 1.961,411 3.57,412 1.403,413 2.539,414 1.461,415 3.761,416 2.098,417 1.202,418 1.556,420 2.912,421 1.069,422 2.5,423 1.387,424 3.5,425 2,426 1.038,427 1.5,428 2.567,429 1,430 2.5,431 1.256,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.403,439 1.051,440 3.408,441 2,442 1,443 1.386,445 2.136,446 0.996,447 2.018,448 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 1.586,460 0.656,461 0.876,463 1.805,464 0.608,465 14.9,466 0.466,467 0.619,468 0.019,469 44.75,470 1.398,471 22.5,472 0.703,473 22.25,474 0.695,475 24.24,476 0.757,477 33.7,478 0.624,479 35.737,480 1.117,481 9.139,482 0.286,483 6.586,484 0.206,485 0.056,487 0.322,493 0.811,494 1.41,495 0.7,496 1.147,497 0.623,498 0.942,499 1.027,500 1.065,501 0.88,502 0.864,503 0.662,504 0.852,505 0.985,506 1.242,507 0.922,508 0.974,509 0.772,510 0.937,511 0.954,512 0.956,513 0.964,514 0.86,515 1.086,516 0.884,517 0.943,518 1.081,519 0.892,520 0.912,521 0.958,522 0.884,523 1.027,524 1.137,525 1.11,526 1.051,527 0.903,528 1.072,529 0.836,530 0.969,531 1.109,532 0.979,533 0.622,534 1.052,535 0.399,536 0.977,537 0.981,538 1.211,539 0.444,540 1.219,541 5,542 0.203,543 3.333,544 1.597,545 1.414,546 1.323,547 0.867,548 0.372,549 0.207,550 0.208,551 13881,552 39382,553 2.174,554 40.7,556 20,558 1,559 1,564 1.751,565 2.087,566 3.461,567 -0.31,569 1,573 88.35,574 1.636,575 3.759,576 4.495,577 4.875,578 5,579 5,580 2.915,581 4.625,582 4.963,583 3.646,584 1808.19,585 8.721,586 25787.9,588 1,590 1,591 310.764,592 1.198,593 4.954,594 0.139,595 0.008,596 0.067,597 0.031,598 0.028,599 0.025,600 0.017,601 0.008,602 0.005,603 0.006,604 0.333,605 0.17,606 0.88,607 0.875,608 166.214,609 -0.015,610 -0.24,611 0.076,612 -0.136,613 -0.034,614 -0.035,615 0.079,616 0.035,617 0.021,618 0.095,619 0.096,620 0.045,621 -0.089,622 -0.173,623 0.003,624 -0.016,625 0.001,626 0.001,627 -0.079,628 0.135,629 -0.019,630 0.065,631 -0.075,632 0.043,633 -0.089,634 -0.031,635 0.034,636 0.066,637 -0.057,638 0.076,639 -0.176,640 -0.036,641 -0.211,642 -0.099,643 -0.146,644 -0.147,645 -0.057,646 0.1,647 -0.18,648 -0.024,649 -0.067,650 -0.098,651 0.229,652 -0.002,653 -0.065,654 -0.165,655 0.159,656 -0.177,657 2.184,658 4.461,659 0.844,660 35.414,661 1.012,662 1.129,663 3.527,664 12.442,665 0.676,666 3.611,667 3.932,668 4.248,669 4.554,670 4.844,671 5.004,672 5.252,673 5.451,674 5.591,675 5.737,676 6.822,677 0.657,678 430.51,679 3.611,680 5.153,681 6.019,682 6.905,683 7.793,684 8.692,685 9.592,686 10.5,687 11.408,688 12.321,689 11.1,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,727 1,731 54,733 23,734 2,735 36,737 58,738 23,739 17,740 3,741 9,746 5,747 6,761 18,762 5,766 1,771 1,775 1,778 1,781 22,782 8,783 1,784 9,790 6,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 32,854 4,855 1,856 2,859 1,870 5.6,873 1,874 1,875 1,877 15.333,878 10.083,879 7.083,880 3.136,881 3.934,882 1.48,883 1.011,884 5.819,885 12.129,886 3.892,887 4.503,888 5.144,889 5.8,890 6.413,891 6.859,892 7.425,893 7.94,894 8.352,895 8.813,896 0.875,897 52,898 11.778,900 5,901 7.714,902 22.467,904 18.308,905 2.214,906 70.833,909 1,910 247.193,911 143.019,912 73.146,914 47.145,917 143.019,918 294.338,919 73.146,920 10.883,921 31.407,922 85.286,923 99.865,924 38.548,925 9.09,926 235.422,928 247.193,929 216.164,930 47.145,933 249.521,934 36.145,935 11,937 43.946,938 119.656,939 50.234,941 247.193,942 120.29,943 143.019,946 247.193,947 37.802,948 110.118,949 18.011,950 97.379,951 247.193,952 120.29,953 143.019,955 0.574,956 0.339,957 0.187,958 0.107,959 25,960 10,961 0.086,962 5,963 1,964 1.074,965 4.302,966 308.463,967 0.074,968 27,969 148,974 20.583,975 9.047,976 4.24,977 1.628,978 118.514,979 19.065,980 14.373,984 3.813,985 1.831,986 18.011,987 510.502,988 48,993 11.461,997 -0.517,999 54.662,1000 60.94,1001 0.284,1002 0.653,1003 0.781,1004 0.847,1005 0.869,1006 0.869,1007 5.121,1008 1.515,1009 5.989,1010 4.963,1011 4.615,1012 5.19,1013 2.483,1014 6.812,1015 4.514,1016 6.319,1017 1.482,1018 7.547,1019 4.252,1020 4.111,1021 4.945,1022 1.847,1023 7.735,1024 3.966,1025 7.625,1026 1.202,1027 9.209,1028 3.57,1029 6.209,1030 7.419,1031 3.536,1032 10.879,1033 6.011,1034 8.971,1035 1.038,1036 10.936,1037 2.912,1038 6.581,1039 8.076,1040 3.598,1041 12.679,1042 6.333,1043 10.353,1044 1,1045 12.705,1046 2.567,1047 8.103,1048 9.987,1049 4.913,1050 15.335,1051 7.81,1052 11.762,1053 1,1054 14.504,1055 2.275,1056 8.885,1057 11.081,1058 5.29,1059 17.493,1060 8.538,1061 13.193,1062 1,1063 16.325,1064 2.136,1065 10.177,1066 12.76,1067 6.388,1068 19.992,1069 9.785,1070 3.287,1071 0.656,1072 18.163,1073 2.136,1074 11.158,1075 14.077,1076 6.93,1077 22.304,1078 10.71,1079 2.851,1080 11.616,1081 20.014,1082 1.805,1083 12.359,1084 15.659,1085 7.902,1086 24.755,1087 11.865,1088 2.763,1089 9.586,1090 21.875,1091 4.661,1092 13.436,1093 17.087,1094 8.539,1095 27.136,1096 12.886,1097 2.525,1098 8.93,1099 23.744,1100 3.823,1101 14.607,1102 18.633,1103 9.436,1104 29.575,1105 14.008,1106 2.32,1107 7.328,1108 25.621,1109 3.609,1110 15.731,1111 20.115,1112 10.13,1113 31.989,1114 15.077,1115 2.047,1116 7.135,1117 27.503,1118 3.185,1119 16.896,1120 21.649,1121 10.981,1122 34.428,1123 16.191,1124 1.843,1125 5.327,1126 29.391,1127 3.027,1128 18.045,1129 23.158,1130 11.71,1131 36.858,1132 17.285,1133 13044,1134 22110,1135 24.849,1136 36.489,1137 53.999,1138 55.473,1139 55.116,1140 53.798,1141 53.86,1142 71.326,1143 8.425,1144 154.31,1145 51.113,1146 5.706,1147 5.642,1148 6.705,1149 5.34,1150 5.287,1151 7.661,1152 3.889,1153 19.163,1154 5.119,1155 11.209,1156 1.5,1157 1.541,1158 1.531,1159 1.494,1160 1.496,1161 1.981,1162 0.234,1163 4.286,1164 1.42,1165 4.142,1166 4.189,1167 4.123,1168 3.994,1169 7.435,1170 4.019,1171 3.908,1172 3.94,1173 3.855,1174 3.831,1175 5.151,1176 3.831,1177 3.822,1178 3.862,1179 3.752,1180 3.724,1181 4.791,1182 3.728,1183 3.705,1184 3.758,1185 3.595,1186 3.489,1187 4.694,1188 3.506,1189 3.495,1190 3.515,1191 3.437,1192 3.18,1193 4.617,1194 3.238,1195 3.228,1196 3.295,1197 3.173,1198 2.987,1199 4.509,1200 3.022,1201 3.111,1202 3.206,1203 2.918,1204 2.941,1205 4.424,1206 2.91,1207 3.037,1208 3.116,1209 2.866,1210 2.812,1211 4.004,1212 2.827,1213 0.131,1214 0.101,1215 0.192,1216 0.118,1217 0.091,1218 4.706,1219 0.129,1220 3.642,1221 0.061,1222 6.903,1223 0.323,1224 4.236,1225 0.087,1226 3.287,1227 4.661,1228 2.186,1229 11.616,1230 3.119,1231 1.961,1232 1.93,1233 2.039,1234 2.096,1235 1.223,1236 2.076,1237 1.89,1238 1.86,1239 2.004,1240 1.994,1241 1.112,1242 1.997,1243 1.783,1244 1.743,1245 1.932,1246 1.96,1247 1.078,1248 1.955,1249 1.584,1250 1.537,1251 1.718,1252 1.789,1253 0.863,1254 1.769,1255 1.319,1256 1.287,1257 1.605,1258 1.653,1259 0.825,1260 1.625,1261 1.248,1262 1.174,1263 1.513,1264 1.538,1265 0.584,1266 1.494,1267 1.153,1268 1.064,1269 1.363,1270 1.376,1271 0.358,1272 1.429,1273 1.056,1274 0.99,1275 1.246,1276 1.322,1277 0.3,1278 1.32,1279 4.29,1281 5.609,1282 2.398,1283 7.135,1284 4.727,1285 8.752,1286 6.862,1287 10.42,1289 1.329,1295 2.817,1296 2.651,1297 10.172,1300 2.21,1305 35.487,1306 88.35,1307 202.962,1308 242.725,1309 263.254,1310 270.009,1311 270.009,1312 42.231,1313 8.195,1314 94.4,1315 94.4,1316 29,1317 12.835,1318 4.585,1319 3.7,1320 45.444,1321 128,1322 162,1323 0.172,1324 214.98,1325 364.39,1326 516.312,1327 39800,1329 21.916,1330 0.685,1331 0.549,1332 21.916,1333 17.563,1334 15.725,1335 0.437,1336 0.287,1337 10.113,1338 14.923,1339 9.933,1340 8.194,1341 15.725,1342 10.32,1343 13.79,1344 0.276,1345 0.146,1346 13.79,1347 7.293,1348 12.134,1349 0.176,1350 0.077,1351 12.134,1352 5.295,1353 10.25,1354 0.109,1355 0.039,1356 10.25,1357 3.668,1358 8.719,1359 0.069,1360 0.02,1361 8.719,1362 2.552,1363 0.266,1364 99.832,1365 0.201,1366 29.594,1367 0.486,1368 172,1369 539.765,1370 193.514,1371 512.558,1372 711.37,1373 484,1374 205,1375 534.041,1376 227.214,1377 536.185,1378 791.36,1379 504,1380 6.307}
{0 CHEMBL1098301,1 1.562,2 14.846,3 3.427,4 11.746,5 148.469,6 7.329,7 0.5,8 4.39,9 4.514,10 3.957,11 3.881,12 5.432,13 3.874,14 4.966,15 5.149,16 4.312,17 4.286,18 5.986,19 4.256,20 5.205,21 5.427,22 4.364,23 4.448,24 6.124,25 4.379,26 5.295,27 5.547,28 4.348,29 4.47,30 6.21,31 4.385,32 5.259,33 5.496,34 4.372,35 4.489,36 6.177,37 4.41,38 5.26,39 5.481,40 4.365,41 4.502,42 6.176,43 4.42,44 5.282,45 5.525,46 4.296,47 4.481,48 6.151,49 4.381,50 5.256,51 5.501,52 4.237,53 4.464,54 6.132,55 4.34,56 0.049,57 1.123,58 15.317,59 6.261,60 9.856,61 8.502,62 0.595,63 1.82,64 30.821,65 10.083,66 44.802,67 14.292,68 0.467,69 2.228,70 40.222,71 13.065,72 43.516,73 19.373,74 0.644,75 2.359,76 45.634,77 14.158,78 61.71,79 21.312,80 0.49,81 2.28,82 43.186,83 14.454,84 55.755,85 21.323,86 0.49,87 2.353,88 42.204,89 13.933,90 48.789,91 20.465,92 0.602,93 2.326,94 44.307,95 14.13,96 52.081,97 21.386,98 0.59,99 2.211,100 43.107,101 15.727,102 60.203,103 22.967,104 8,105 61,106 0.241,107 0.58,108 0.751,109 0.812,110 0.818,111 0.818,112 3.693,113 0.919,114 -4.98,115 -4.88,116 -4.57,119 40.3,121 2,124 1,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 4,175 12,178 2,180 2,183 11,186 2,187 8,192 2,195 5,198 6,199 14,204 1,207 5,211 2,212 11,220 6,223 1,224 14,227 2,232 8,236 3,237 6,245 6,249 6,250 8,253 2,255 1,258 5,263 11,266 1,271 2,275 3465,276 27.179,277 27.179,278 27.179,279 27.179,280 27.179,281 24.539,282 34.764,283 16.212,284 27.97,285 21.728,286 21.728,287 21.728,288 21.728,289 21.728,290 17.63,291 48.185,292 7.717,293 22.893,294 4.608,295 2.415,296 1.306,297 0.91,298 0.872,299 0.872,300 4.413,305 1,306 1279,307 3.391,310 93.346,311 610.729,314 168.331,318 2.304,319 30.988,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84.5,331 579,332 4.693,333 3.642,334 6.903,335 4.237,336 3.288,337 4.638,338 2.186,339 11.616,340 3.12,341 4.184,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.758,350 4,351 3.077,352 6.107,353 3.731,354 2.771,355 3.457,356 0.86,357 8.93,358 2.651,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.367,365 0.8,366 7.742,367 2.545,368 3.815,369 2.819,370 5.517,371 3.473,372 2.524,373 3.16,374 0.366,375 7.324,376 2.385,377 3.526,378 2.539,379 5.464,380 3.316,381 2.352,382 2.689,383 0.172,384 7.105,385 2.249,386 3.453,387 2.418,388 5.044,389 3.055,390 2.112,391 2.605,393 6.052,394 1.98,395 3.256,396 2.345,397 4.784,398 2.996,399 2.036,400 2.345,402 5.327,403 1.934,404 2.966,405 2.12,406 4.743,407 2.654,408 1.734,409 2.165,411 4.819,412 1.593,413 2.933,414 1.58,415 4.412,416 2.438,417 1.488,418 2.042,420 4.248,421 1.41,422 2.816,423 1.535,424 4.083,425 2.414,426 1.427,427 1.906,428 3.225,429 1.403,430 2.529,431 1.487,432 3.76,433 2.152,434 1.251,435 1.54,436 2.992,437 1.119,438 2.5,439 1.461,440 3.587,441 2.042,442 1.097,443 1.5,445 2.881,446 1.032,447 2.5,448 1.256,449 3.425,450 2,451 1,452 1.5,454 2.275,455 1,456 2.387,457 1.118,458 3.414,459 2,460 1,461 1.376,463 2.275,464 1,465 18.3,466 0.469,467 0.756,468 0.019,469 49.5,470 1.269,471 22.5,472 0.577,473 27,474 0.692,475 36.927,476 0.947,477 42.3,478 0.587,479 40.771,480 1.045,481 9.813,482 0.252,483 9.361,484 0.24,485 0.046,487 0.311,493 0.81,494 1.491,495 0.774,496 1.212,497 0.604,498 1.02,499 1.067,500 1.088,501 0.953,502 0.912,503 0.64,504 0.912,505 0.948,506 1.219,507 0.99,508 1.04,509 0.72,510 1.018,511 0.867,512 0.926,513 0.97,514 0.902,515 0.956,516 0.93,517 0.844,518 1.049,519 0.911,520 0.959,521 0.89,522 0.94,523 0.951,524 1.151,525 1.11,526 1.107,527 0.866,528 1.118,529 0.818,530 1.058,531 1.081,532 1.037,533 0.635,534 1.073,535 0.484,536 0.996,537 0.986,538 1.138,539 0.461,540 1.141,541 6.5,542 0.305,543 3.778,544 1.847,545 1.796,546 1.448,547 1.052,548 0.541,549 0.338,550 0.327,551 25955,552 64684,553 2.187,554 45.8,556 27,558 1,559 1,562 4,564 1.797,565 2.108,566 3.794,567 -0.358,573 112.482,574 1.562,575 3.755,576 4.864,577 5.26,578 5.298,579 5.298,580 3.321,581 4.875,582 5.245,583 3.997,584 2961.87,585 9.277,586 50260.2,591 444.235,592 1.154,593 5.243,594 0.148,595 0.007,596 0.062,597 0.029,598 0.029,599 0.023,600 0.017,601 0.009,602 0.006,603 0.007,604 0.337,605 0.17,606 0.75,607 0.762,608 218.386,609 0.016,610 -0.259,611 0.087,612 -0.128,613 0.019,614 -0.03,615 0.061,616 0.05,617 0.001,618 0.075,619 0.12,620 0.03,621 -0.067,622 -0.145,623 -0.037,624 -0.055,625 0.02,626 -0.046,627 -0.018,628 0.119,629 0.006,630 0.048,631 -0.025,632 0.035,633 -0.023,634 -0.016,635 0.047,636 0.037,637 -0.033,638 0.052,639 -0.106,640 -0.061,641 -0.165,642 -0.125,643 -0.122,644 -0.149,645 -0.03,646 -0.002,647 -0.123,648 -0.066,649 -0.055,650 -0.097,651 0.19,652 0.008,653 -0.043,654 -0.118,655 0.146,656 -0.121,657 2.172,658 4.586,659 0.846,660 56.947,661 1.003,662 1.132,663 3.747,664 14.036,665 0.657,666 3.807,667 4.127,668 4.431,669 4.727,670 5.017,671 5.165,672 5.416,673 5.631,674 5.799,675 5.976,676 8.472,677 0.627,678 527.69,679 3.807,680 5.352,681 6.213,682 7.094,683 7.975,684 8.868,685 9.76,686 10.661,687 11.561,688 12.468,689 9.7,692 1,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,727 1,731 72,733 23,734 2,735 44,737 77,738 29,739 17,740 3,741 9,746 6,747 7,755 3,758 3,761 18,762 11,766 1,771 1,775 1,781 33,782 9,783 1,784 10,790 7,794 0.833,795 3,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 39,854 9,855 1,856 2,858 1,859 2,870 4.2,873 1,874 1,875 1,877 18.5,878 13.117,879 8.583,880 4.411,881 3.89,882 1.436,883 1.001,884 7.84,885 12.822,886 4.043,887 4.618,888 5.212,889 5.825,890 6.398,891 6.783,892 7.298,893 7.774,894 8.136,895 8.56,896 1,897 63,898 14.437,900 6.147,901 7.594,902 28.122,904 23.485,905 2.094,906 81.667,910 376.675,911 154.834,912 76.27,914 47.145,917 154.834,918 423.82,919 76.27,920 10.883,921 42.793,922 85.286,923 99.865,924 42.101,925 9.09,926 364.904,928 376.675,929 231.104,930 47.145,933 331.919,934 83.229,935 11,937 58.457,938 120.085,939 50.234,941 376.675,942 123.415,943 154.834,946 376.675,947 49.617,948 113.242,949 18.011,950 97.379,951 376.675,952 123.415,953 154.834,955 0.575,956 0.337,957 0.183,958 0.104,959 30,960 12,961 0.091,962 7,963 1,964 1.061,965 4.959,966 400.288,967 0.061,968 33,969 186.131,974 25.902,975 11.805,976 5.822,977 1.83,978 121.638,979 20.054,980 14.891,984 4.389,985 2.109,986 18.011,987 654.924,988 56,993 11.586,997 -0.506,999 72.181,1000 81.514,1001 0.253,1002 0.609,1003 0.788,1004 0.853,1005 0.859,1006 0.859,1007 5.286,1008 2.036,1009 6.18,1010 6.052,1011 4.812,1012 5.306,1013 2.601,1014 6.987,1015 4.714,1016 6.463,1017 1.734,1018 7.728,1019 5.327,1020 4.29,1021 5.027,1022 1.905,1023 7.867,1024 4.146,1025 7.757,1026 1.488,1027 9.377,1028 4.819,1029 6.395,1030 7.474,1031 3.564,1032 10.998,1033 6.203,1034 9.087,1035 1.427,1036 11.088,1037 4.248,1038 6.735,1039 8.098,1040 3.612,1041 12.757,1042 6.491,1043 10.454,1044 1.251,1045 12.842,1046 3.225,1047 8.263,1048 9.996,1049 4.918,1050 15.401,1051 7.978,1052 11.848,1053 1.097,1054 14.625,1055 2.992,1056 9.012,1057 11.066,1058 5.292,1059 17.535,1060 8.672,1061 13.263,1062 1,1063 16.431,1064 2.881,1065 10.305,1066 12.737,1067 6.389,1068 20.026,1069 9.922,1070 3.288,1071 1,1072 18.254,1073 2.275,1074 11.26,1075 14.037,1076 6.931,1077 22.326,1078 10.82,1079 2.868,1080 11.616,1081 20.092,1082 2.275,1083 12.457,1084 15.614,1085 7.902,1086 24.771,1087 11.972,1088 2.771,1089 9.594,1090 21.941,1091 4.638,1092 13.516,1093 17.031,1094 8.539,1095 27.147,1096 12.974,1097 2.649,1098 8.93,1099 23.801,1100 3.796,1101 14.681,1102 18.572,1103 9.436,1104 29.583,1105 14.091,1106 2.524,1107 7.742,1108 25.669,1109 3.457,1110 15.793,1111 20.047,1112 10.13,1113 31.995,1114 15.146,1115 2.352,1116 7.324,1117 27.544,1118 3.367,1119 16.952,1120 21.577,1121 10.981,1122 34.432,1123 16.254,1124 2.112,1125 7.105,1126 29.425,1127 3.16,1128 18.093,1129 23.08,1130 11.71,1131 36.861,1132 17.338,1133 23995,1134 38091,1135 30.512,1136 47.302,1137 65.772,1138 67.194,1139 66.863,1140 65.545,1141 65.581,1142 83.017,1143 10.603,1144 186.865,1145 62.364,1146 5.693,1147 5.642,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 3.889,1153 19.165,1154 5.12,1155 12.876,1156 1.495,1157 1.527,1158 1.52,1159 1.49,1160 1.49,1161 1.887,1162 0.241,1163 4.247,1164 1.417,1165 4.143,1166 4.194,1167 4.117,1168 3.987,1169 7.435,1170 4.011,1171 3.931,1172 3.972,1173 3.854,1174 3.855,1175 5.136,1176 3.85,1177 3.894,1178 3.929,1179 3.839,1180 3.802,1181 4.76,1182 3.807,1183 3.782,1184 3.839,1185 3.675,1186 3.626,1187 4.751,1188 3.627,1189 3.693,1190 3.751,1191 3.577,1192 3.483,1193 4.624,1194 3.499,1195 3.496,1196 3.518,1197 3.437,1198 3.181,1199 4.527,1200 3.238,1201 3.281,1202 3.351,1203 3.203,1204 3.07,1205 4.449,1206 3.081,1207 3.153,1208 3.226,1209 3.03,1210 2.965,1211 4.253,1212 2.981,1213 0.107,1214 0.083,1215 0.157,1216 0.096,1217 0.075,1218 4.693,1219 0.105,1220 3.642,1221 0.05,1222 6.903,1223 0.264,1224 4.237,1225 0.071,1226 3.288,1227 4.638,1228 2.186,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.047,1241 1.22,1242 2.047,1243 1.827,1244 1.783,1245 1.987,1246 1.962,1247 1.14,1248 1.967,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.104,1254 1.953,1255 1.583,1256 1.534,1257 1.72,1258 1.794,1259 0.883,1260 1.774,1261 1.322,1262 1.287,1263 1.605,1264 1.654,1265 0.825,1266 1.625,1267 1.311,1268 1.236,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.729,1278 1.429,1279 4.489,1281 5.808,1282 2.398,1283 7.328,1284 4.727,1285 8.937,1286 6.862,1287 10.593,1289 1.343,1295 7.932,1296 2.688,1297 10.295,1299 0.279,1300 4.777,1305 45.143,1306 112.482,1307 270.378,1308 350.196,1309 378.725,1310 381.48,1311 381.48,1312 56.809,1313 8.932,1314 97.64,1315 97.64,1316 35,1317 12.987,1318 4.585,1319 3.7,1320 55.017,1321 189,1322 229,1323 0.136,1324 271.935,1325 466.83,1326 655.282,1327 105252,1329 26.606,1330 0.682,1331 0.567,1332 26.606,1333 22.123,1334 19.174,1335 0.436,1336 0.306,1337 13.234,1338 18.269,1339 12.988,1340 10.679,1341 19.174,1342 13.474,1343 16.913,1344 0.277,1345 0.164,1346 16.913,1347 9.984,1348 14.767,1349 0.178,1350 0.09,1351 14.767,1352 7.471,1353 12.434,1354 0.111,1355 0.048,1356 12.434,1357 5.358,1358 10.609,1359 0.071,1360 0.026,1361 10.609,1362 3.921,1363 0.214,1364 121.141,1365 0.181,1366 35.297,1367 0.37,1368 210,1369 597.41,1370 233.595,1371 568.485,1372 789.21,1373 538,1374 249,1375 588.801,1376 273.879,1377 592.549,1378 873.47,1379 557,1380 6.313}
{0 CHEMBL1098305,1 1.549,2 14.289,3 2.574,4 6.626,5 145.522,6 7.324,7 0.512,8 4.363,9 4.496,10 3.927,11 3.861,12 5.414,13 3.852,14 4.93,15 5.116,16 4.291,17 4.274,18 5.967,19 4.24,20 5.2,21 5.427,22 4.331,23 4.434,24 6.116,25 4.361,26 5.266,27 5.525,28 4.324,29 4.456,30 6.156,31 4.363,32 5.236,33 5.476,34 4.342,35 4.471,36 6.166,37 4.387,38 5.245,39 5.478,40 4.333,41 4.472,42 6.155,43 4.387,44 5.237,45 5.48,46 4.273,47 4.441,48 6.113,49 4.347,50 5.216,51 5.456,52 4.215,53 4.441,54 6.115,55 4.318,56 0.059,57 1.125,58 14.959,59 5.855,60 11.178,61 8.161,62 0.437,63 1.812,64 29.194,65 9.792,66 43.765,67 14.057,68 0.491,69 2.209,70 40.316,71 12.747,72 48.93,73 19.064,74 0.542,75 2.314,76 44.101,77 14.004,78 51.704,79 21.361,80 0.436,81 2.262,82 41.964,83 13.896,84 56.49,85 20.839,86 0.462,87 2.311,88 41.964,89 13.491,90 49.694,91 20.208,92 0.573,93 2.234,94 42.318,95 13.255,96 49.755,97 20.174,98 0.5,99 2.163,100 40.916,101 15.058,102 59.645,103 21.904,104 7,105 60,106 0.24,107 0.594,108 0.749,109 0.812,110 0.818,111 0.818,112 3.668,113 0.917,114 -4.78,115 -4.69,116 -4.41,119 40,121 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,163 1,164 1,165 1,166 1,172 10,174 3,175 12,177 1,178 2,179 1,180 2,182 1,183 11,186 2,187 8,192 2,195 5,198 6,199 12,204 3,207 5,209 2,211 2,212 9,217 2,220 6,222 2,223 1,224 13,227 2,229 1,232 8,234 1,236 3,237 6,245 6,249 4,250 8,252 2,253 4,255 1,258 5,263 11,266 1,271 2,275 3200,276 26.308,277 26.308,278 26.308,279 26.308,280 26.308,281 23.617,282 34.024,283 15.737,284 26.923,285 21.317,286 21.317,287 21.317,288 21.317,289 21.317,290 17.223,291 48.101,292 7.573,293 22.328,294 4.58,295 2.303,296 1.304,297 0.896,298 0.857,299 0.857,300 4.388,305 1,306 1204,307 3.24,310 89.451,311 588.857,314 161.645,318 2.215,319 30.067,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 82,331 543,332 4.693,333 3.487,334 6.903,335 4.237,336 3.288,337 4.638,338 1.629,339 11.616,340 3.12,341 4.183,342 3.38,343 6.329,344 3.823,345 2.867,346 3.796,347 0.916,348 9.594,349 2.758,350 3.999,351 3.077,352 6.107,353 3.73,354 2.769,355 3.457,356 0.86,357 8.93,358 2.651,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.366,365 0.8,366 7.742,367 2.546,368 3.792,369 2.817,370 5.517,371 3.452,372 2.492,373 3.151,374 0.172,375 7.214,376 2.385,377 3.524,378 2.537,379 5.419,380 3.315,381 2.35,382 2.611,383 0.142,384 7.091,385 2.249,386 3.384,387 2.412,388 5.044,389 3.048,390 2.104,391 2.592,393 6.052,394 1.977,395 3.255,396 2.343,397 4.746,398 2.931,399 1.934,400 2.345,402 4.824,403 1.91,404 2.962,405 2.12,406 4.537,407 2.653,408 1.734,409 2.151,411 4.768,412 1.593,413 2.931,414 1.58,415 4.319,416 2.43,417 1.473,418 2.041,420 4.116,421 1.408,422 2.816,423 1.535,424 4.082,425 2.414,426 1.427,427 1.906,428 3.225,429 1.4,430 2.529,431 1.486,432 3.757,433 2.152,434 1.251,435 1.539,436 2.992,437 1.119,438 2.5,439 1.256,440 3.587,441 2.041,442 1.095,443 1.5,445 2.878,446 1.031,447 2.5,448 1.118,449 3.424,450 2,451 1,452 1.5,454 2.275,455 1,456 2.387,457 1.077,458 3.414,459 2,460 1,461 1.376,463 2.275,464 1,465 17.867,466 0.47,467 0.794,468 0.021,469 48.75,470 1.283,471 22.5,472 0.592,473 26.25,474 0.691,475 35.593,476 0.937,477 40.933,478 0.585,479 39.492,480 1.039,481 9.565,482 0.252,483 9.071,484 0.239,485 0.041,487 0.319,493 0.848,494 1.433,495 0.792,496 1.14,497 0.702,498 0.981,499 1.024,500 1.12,501 0.944,502 0.983,503 0.536,504 0.957,505 1.099,506 1.154,507 1.032,508 1.005,509 0.864,510 1.007,511 0.744,512 0.944,513 0.919,514 0.927,515 0.584,516 0.933,517 0.846,518 1.075,519 0.938,520 0.995,521 0.895,522 0.976,523 0.979,524 1.112,525 1.086,526 1.081,527 0.839,528 1.086,529 0.931,530 1.037,531 1.087,532 1.02,533 0.613,534 1.054,535 0.548,536 1.003,537 1.028,538 1.186,539 0.457,540 1.181,541 6.5,542 0.296,543 3.556,544 1.847,545 1.796,546 1.448,547 1.031,548 0.513,549 0.338,550 0.327,551 24144,552 59525,553 2.192,554 45.7,556 24,558 1,559 3,562 4,564 1.791,565 2.111,566 3.747,567 0.791,573 108.444,574 1.549,575 3.826,576 4.825,577 5.233,578 5.272,579 5.272,580 3.262,581 4.596,582 5.208,583 3.954,584 2779.45,585 9.203,586 46022.6,591 429.05,592 1.167,593 5.205,594 0.151,595 0.007,596 0.059,597 0.03,598 0.03,599 0.023,600 0.017,601 0.009,602 0.006,603 0.007,604 0.341,605 0.17,606 0.75,607 0.638,608 210.747,609 -0.009,610 -0.189,611 0.073,612 -0.069,613 -0.03,614 0.001,615 0.049,616 0.028,617 -0.005,618 0.015,619 0.166,620 -0.006,621 -0.109,622 -0.101,623 -0.066,624 -0.023,625 -0.049,626 -0.039,627 0.044,628 0.081,629 0.052,630 0.041,631 0.054,632 0.047,633 -0.02,634 -0.045,635 0.019,636 0.003,637 -0.048,638 0.017,639 -0.094,640 -0.047,641 -0.129,642 -0.102,643 -0.107,644 -0.116,645 -0.041,646 0.007,647 -0.12,648 -0.048,649 -0.047,650 -0.083,651 0.166,652 0.005,653 -0.086,654 -0.158,655 0.141,656 -0.163,657 2.26,658 4.218,659 0.868,660 53.202,661 1.001,662 1.134,663 3.551,664 12.61,665 0.658,666 3.784,667 4.111,668 4.407,669 4.718,670 5.004,671 5.153,672 5.407,673 5.617,674 5.781,675 5.966,676 8.234,677 0.627,678 512.68,679 3.784,680 5.333,681 6.192,682 7.077,683 7.958,684 8.853,685 9.745,686 10.648,687 11.549,688 12.457,689 11.4,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 70,733 23,734 2,735 43,737 75,738 28,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 18,762 10,766 1,771 1,775 1,781 32,782 9,783 3,784 10,790 8,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 38,849 1,854 9,855 1,856 1,858 1,859 2,870 2.9,873 1,874 1,877 18,878 12.283,879 8.25,880 4.286,881 3.877,882 1.437,883 1.017,884 7.341,885 12.753,886 4.025,887 4.608,888 5.195,889 5.822,890 6.393,891 6.778,892 7.293,893 7.767,894 8.126,895 8.554,896 0.9,897 61,898 14.059,900 6.034,901 7.61,902 27.381,904 23.08,905 2.11,906 80.167,910 341.362,911 141.464,912 109.167,914 36.145,917 141.464,918 377.507,919 109.167,921 75.69,922 85.286,923 99.865,924 31.101,925 6.604,926 329.591,928 341.362,929 250.631,930 36.145,933 296.605,934 72.229,935 11,937 91.354,938 106.715,939 50.234,941 341.362,942 145.312,943 141.464,946 341.362,947 47.13,948 102.359,949 18.011,950 119.276,951 341.362,952 145.312,953 141.464,955 0.577,956 0.33,957 0.186,958 0.105,959 30,960 12,961 0.08,962 6,963 1,964 1.061,965 4.876,966 388.444,967 0.061,968 33,969 179.421,974 24.956,975 11.177,976 5.595,977 1.826,978 143.535,979 19.975,980 14.849,984 4.359,985 2.104,986 50.908,987 628.138,988 55,993 11.218,997 -0.594,999 70.072,1000 79.388,1001 0.253,1002 0.624,1003 0.787,1004 0.854,1005 0.86,1006 0.86,1007 5.27,1008 1.934,1009 6.163,1010 6.052,1011 4.796,1012 5.296,1013 2.243,1014 6.973,1015 4.707,1016 6.452,1017 1.734,1018 7.711,1019 4.824,1020 4.29,1021 5.027,1022 1.404,1023 7.854,1024 4.156,1025 7.747,1026 1.473,1027 9.36,1028 4.768,1029 6.378,1030 7.466,1031 2.56,1032 10.987,1033 6.198,1034 9.077,1035 1.427,1036 11.072,1037 4.116,1038 6.723,1039 8.092,1040 2.341,1041 12.749,1042 6.492,1043 10.444,1044 1.251,1045 12.826,1046 3.225,1047 8.249,1048 9.99,1049 3.218,1050 15.395,1051 7.975,1052 11.838,1053 1.095,1054 14.611,1055 2.992,1056 9,1057 11.061,1058 3.326,1059 17.531,1060 8.671,1061 13.253,1062 1,1063 16.418,1064 2.878,1065 10.293,1066 12.734,1067 4.046,1068 20.022,1069 9.921,1070 3.288,1071 1,1072 18.243,1073 2.275,1074 11.25,1075 14.035,1076 4.329,1077 22.324,1078 10.82,1079 2.867,1080 11.616,1081 20.082,1082 2.275,1083 12.448,1084 15.613,1085 4.953,1086 24.77,1087 11.972,1088 2.769,1089 9.594,1090 21.933,1091 4.638,1092 13.509,1093 17.03,1094 5.328,1095 27.146,1096 12.974,1097 2.649,1098 8.93,1099 23.794,1100 3.796,1101 14.674,1102 18.572,1103 5.894,1104 29.583,1105 14.09,1106 2.492,1107 7.742,1108 25.663,1109 3.457,1110 15.788,1111 20.046,1112 6.319,1113 31.994,1114 15.146,1115 2.35,1116 7.214,1117 27.539,1118 3.366,1119 16.947,1120 21.576,1121 6.853,1122 34.432,1123 16.254,1124 2.104,1125 7.091,1126 29.421,1127 3.151,1128 18.089,1129 23.08,1130 7.305,1131 36.861,1132 17.338,1133 22245,1134 35128,1135 29.819,1136 46.091,1137 64.864,1138 65.566,1139 65.176,1140 64.495,1141 64.457,1142 81.934,1143 9.039,1144 184.023,1145 61.622,1146 5.693,1147 5.487,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.86,1153 19.165,1154 5.12,1155 12.634,1156 1.508,1157 1.525,1158 1.516,1159 1.5,1160 1.499,1161 1.905,1162 0.21,1163 4.28,1164 1.433,1165 4.143,1166 4.194,1167 4.117,1168 3.987,1169 7.439,1170 4.011,1171 3.931,1172 3.972,1173 3.854,1174 3.855,1175 5.136,1176 3.85,1177 3.894,1178 3.931,1179 3.839,1180 3.802,1181 4.9,1182 3.807,1183 3.782,1184 3.839,1185 3.675,1186 3.626,1187 4.755,1188 3.627,1189 3.693,1190 3.751,1191 3.577,1192 3.483,1193 4.737,1194 3.499,1195 3.47,1196 3.528,1197 3.412,1198 3.171,1199 4.623,1200 3.224,1201 3.27,1202 3.343,1203 3.192,1204 3.065,1205 4.476,1206 3.073,1207 3.129,1208 3.206,1209 3.02,1210 2.941,1211 4.253,1212 2.951,1213 0.109,1214 0.081,1215 0.161,1216 0.099,1217 0.076,1218 4.693,1219 0.108,1220 3.487,1221 0.038,1222 6.903,1223 0.27,1224 4.237,1225 0.073,1226 3.288,1227 4.638,1228 1.629,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.047,1241 1.22,1242 2.047,1243 1.828,1244 1.783,1245 1.987,1246 1.963,1247 1.14,1248 1.967,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.104,1254 1.954,1255 1.583,1256 1.534,1257 1.72,1258 1.795,1259 0.883,1260 1.775,1261 1.318,1262 1.247,1263 1.514,1264 1.63,1265 0.825,1266 1.586,1267 1.288,1268 1.227,1269 1.513,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.729,1278 1.429,1279 4.466,1281 5.79,1282 2.398,1283 7.311,1284 4.727,1285 8.921,1286 6.862,1287 10.58,1293 5.258,1295 7.929,1296 2.601,1297 5.591,1299 0.28,1300 4.771,1305 43.922,1306 108.444,1307 267.836,1308 337.766,1309 366.295,1310 369.05,1311 369.05,1312 55.477,1313 8.875,1314 114.43,1315 114.43,1316 35,1317 12.975,1318 4.585,1319 3.7,1320 52.932,1321 179,1322 219,1323 0.138,1324 265.141,1325 451.74,1326 638.704,1327 97825,1329 25.899,1330 0.682,1331 0.56,1332 25.899,1333 21.292,1334 18.636,1335 0.433,1336 0.306,1337 12.942,1338 17.837,1339 12.739,1340 10.449,1341 18.636,1342 13.15,1343 16.793,1344 0.28,1345 0.164,1346 16.793,1347 9.856,1348 14.139,1349 0.175,1350 0.09,1351 14.139,1352 7.307,1353 12.365,1354 0.111,1355 0.048,1356 12.365,1357 5.332,1358 10.443,1359 0.071,1360 0.026,1361 10.443,1362 3.876,1363 0.217,1364 117.087,1365 0.183,1366 34.509,1367 0.377,1368 206,1369 558.987,1370 227.578,1371 540.412,1372 752.69,1373 510,1374 244,1375 567.101,1376 266.721,1377 570.94,1378 841.33,1379 539,1380 7.081}
{0 CHEMBL1098306,1 1.52,2 15.45,3 3.129,4 9.789,5 155.167,6 7.115,7 0.489,8 4.434,9 4.569,10 3.975,11 3.928,12 5.448,13 3.911,14 5.011,15 5.206,16 4.329,17 4.334,18 5.991,19 4.292,20 5.276,21 5.513,22 4.381,23 4.488,24 6.169,25 4.411,26 5.33,27 5.587,28 4.378,29 4.505,30 6.24,31 4.415,32 5.302,33 5.541,34 4.39,35 4.526,36 6.232,37 4.442,38 5.304,39 5.534,40 4.392,41 4.547,42 6.199,43 4.458,44 5.324,45 5.566,46 4.329,47 4.534,48 6.189,49 4.428,50 5.316,51 5.567,52 4.256,53 4.519,54 6.168,55 4.384,56 0.057,57 1.203,58 16.827,59 6.492,60 10.078,61 9.244,62 0.469,63 1.939,64 32.821,65 10.64,66 37.943,67 15.718,68 0.508,69 2.347,70 44.483,71 13.696,72 47.766,73 21.007,74 0.596,75 2.434,76 47.573,77 14.651,78 59.665,79 22.53,80 0.516,81 2.385,82 45.635,83 14.597,84 63.248,85 22.084,86 0.46,87 2.455,88 44.961,89 14.636,90 48.424,91 22.105,92 0.573,93 2.424,94 46.507,95 14.908,96 52.475,97 22.824,98 0.534,99 2.339,100 46.142,101 16.845,102 59.477,103 24.79,104 9,105 62,106 0.232,107 0.57,108 0.748,109 0.82,110 0.825,111 0.825,112 3.718,113 0.945,114 -5.17,115 -5.06,116 -4.74,119 39.5,120 1,121 2,125 8,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 12,178 2,179 1,180 3,183 11,186 2,187 8,192 2,195 5,198 6,199 13,204 4,207 5,211 2,212 9,217 2,220 6,223 1,224 13,227 2,229 1,232 10,236 3,237 6,245 8,249 4,250 8,253 4,255 1,258 6,263 11,266 1,271 2,275 3748,276 27.886,277 27.886,278 27.886,279 27.886,280 27.886,281 25.246,282 37.148,283 16.811,284 28.59,285 22.266,286 22.266,287 22.266,288 22.266,289 22.266,290 18.191,291 51.421,292 8.001,293 23.363,294 4.728,295 2.518,296 1.359,297 0.888,298 0.852,299 0.852,300 4.437,305 1,306 1362,307 3.536,310 97.313,311 633.089,314 175.162,318 2.44,319 30.367,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 86,331 618,332 4.693,333 3.545,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.759,350 4,351 3.077,352 6.107,353 3.732,354 2.772,355 3.457,356 0.86,357 8.93,358 2.652,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.367,365 0.8,366 7.742,367 2.546,368 3.819,369 2.818,370 5.517,371 3.492,372 2.532,373 3.161,374 0.247,375 7.35,376 2.423,377 3.526,378 2.538,379 5.469,380 3.317,381 2.353,382 2.704,383 0.172,384 7.106,385 2.25,386 3.466,387 2.415,388 5.044,389 3.076,390 2.119,391 2.605,393 6.052,394 2.032,395 3.256,396 2.344,397 4.821,398 3.026,399 2.061,400 2.346,402 5.493,403 1.966,404 2.968,405 2.12,406 4.744,407 2.654,408 1.734,409 2.168,411 4.82,412 1.593,413 2.934,414 1.58,415 4.417,416 2.447,417 1.497,418 2.042,420 4.272,421 1.418,422 2.816,423 1.536,424 4.083,425 2.415,426 1.427,427 1.906,428 3.225,429 1.405,430 2.53,431 1.51,432 3.76,433 2.152,434 1.252,435 1.541,436 2.992,437 1.12,438 2.5,439 1.486,440 3.587,441 2.052,442 1.105,443 1.5,445 2.882,446 1.041,447 2.5,448 1.256,449 3.425,450 2,451 1.009,452 1.5,454 2.275,455 1,456 2.387,457 1.118,458 3.414,459 2,460 1,461 1.376,463 2.275,464 1,465 18.867,466 0.472,467 0.756,468 0.019,469 50,470 1.25,471 22.5,472 0.563,473 27.5,474 0.688,475 39.177,476 0.979,477 43.533,478 0.573,479 41.071,480 1.027,481 9.722,482 0.243,483 9.952,484 0.249,485 0.044,487 0.302,493 0.828,494 1.498,495 0.814,496 1.196,497 0.619,498 1.029,499 1.062,500 1.134,501 0.963,502 0.986,503 0.644,504 0.962,505 1.107,506 1.143,507 0.992,508 0.974,509 0.887,510 0.964,511 0.924,512 0.96,513 0.95,514 0.918,515 0.95,516 0.924,517 1.049,518 1.044,519 0.979,520 0.948,521 1.292,522 0.948,523 0.984,524 1.126,525 1.085,526 1.09,527 0.863,528 1.09,529 0.915,530 1.075,531 1.105,532 1.07,533 0.67,534 1.095,535 0.532,536 0.994,537 1.003,538 1.158,539 0.498,540 1.149,541 6.5,542 0.305,543 3.778,544 1.972,545 1.796,546 1.448,547 1.052,548 0.556,549 0.358,550 0.327,551 27942,552 65083,553 2.182,554 47.4,556 26,558 1,559 2,561 3,562 4,564 1.803,565 2.105,566 3.842,567 0.149,573 115.518,574 1.52,575 3.73,576 4.889,577 5.36,578 5.396,579 5.396,580 3.321,581 4.922,582 5.281,583 4.047,584 3156.29,585 9.348,586 54907.6,591 474.842,592 1.141,593 5.28,594 0.144,595 0.006,596 0.061,597 0.031,598 0.029,599 0.022,600 0.016,601 0.009,602 0.007,603 0.006,604 0.332,605 0.17,606 0.75,607 0.881,608 226.182,609 0.021,610 -0.24,611 0.082,612 -0.099,613 0.009,614 -0.017,615 0.052,616 0.02,617 0.003,618 0.013,619 0.097,620 -0.002,621 -0.082,622 -0.087,623 -0.01,624 0.002,625 -0.018,626 0.004,627 0.01,628 0.078,629 0.035,630 0.041,631 0.021,632 0.042,633 -0.073,635 -0.003,636 0.042,637 -0.114,638 0.032,639 -0.088,640 -0.041,641 -0.124,642 -0.098,643 -0.101,644 -0.112,645 -0.033,646 -0.019,647 -0.139,648 -0.083,649 -0.064,650 -0.115,651 0.175,652 0.006,653 -0.054,654 -0.13,655 0.119,656 -0.128,657 1.888,658 4.928,659 0.825,660 60.94,661 0.998,662 1.134,663 3.939,664 15.518,665 0.653,666 3.829,667 4.143,668 4.443,669 4.745,670 5.024,671 5.176,672 5.425,673 5.638,674 5.811,675 5.991,676 8.74,677 0.618,678 540.74,679 3.829,680 5.371,681 6.229,682 7.109,683 7.987,684 8.879,685 9.77,686 10.67,687 11.569,688 12.476,689 10.5,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 76,733 23,734 2,735 45,737 81,738 30,739 17,740 3,741 9,746 6,747 7,751 1,752 1,755 3,758 3,761 18,762 12,766 1,771 1,775 1,781 36,782 9,783 2,784 10,790 8,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 40,854 10,855 2,856 1,858 1,859 2,870 2.6,873 1,874 1,877 19,878 13.7,879 8.833,880 4.89,881 3.901,882 1.434,883 1.004,884 8.352,885 12.887,886 4.06,887 4.627,888 5.217,889 5.834,890 6.4,891 6.787,892 7.301,893 7.777,894 8.141,895 8.567,896 0.909,897 64,898 14.832,900 6.306,901 7.554,902 29.037,904 24.276,905 2.054,906 82.167,910 400.217,911 152.395,912 94.281,914 36.145,917 152.395,918 436.362,919 94.281,920 8.825,921 62.91,922 85.286,923 99.865,924 31.101,925 6.604,926 388.446,928 400.217,929 246.676,930 36.145,933 320.148,934 107.543,935 11,937 87.398,938 106.715,939 50.234,941 400.217,942 130.426,943 152.395,946 400.217,947 49.236,948 111.184,949 36.022,950 86.379,951 400.217,952 130.426,953 152.395,955 0.571,956 0.332,957 0.186,958 0.103,959 30,960 12,961 0.086,962 7,963 1,964 1.061,965 5.051,966 411.597,967 0.061,968 33,969 196.877,974 26.851,975 12.443,976 6.211,977 1.851,978 128.649,979 20.268,980 14.957,984 4.521,985 2.12,986 36.022,987 683.038,988 57,993 11.928,997 -0.221,999 75.839,1000 86.218,1001 0.243,1002 0.597,1003 0.783,1004 0.858,1005 0.864,1006 0.864,1007 5.301,1008 2.061,1009 6.192,1010 6.052,1011 4.828,1012 5.316,1013 2.277,1014 6.997,1015 4.737,1016 6.474,1017 1.734,1018 7.737,1019 5.493,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.765,1026 1.497,1027 9.383,1028 4.82,1029 6.405,1030 7.478,1031 2.617,1032 11.003,1033 6.222,1034 9.093,1035 1.427,1036 11.093,1037 4.272,1038 6.735,1039 8.098,1040 2.398,1041 12.759,1042 6.504,1043 10.459,1044 1.252,1045 12.845,1046 3.225,1047 8.27,1048 9.997,1049 3.311,1050 15.404,1051 7.994,1052 11.851,1053 1.105,1054 14.628,1055 2.992,1056 9.014,1057 11.066,1058 3.429,1059 17.536,1060 8.685,1061 13.265,1062 1.009,1063 16.433,1064 2.882,1065 10.309,1066 12.738,1067 4.176,1068 20.027,1069 9.935,1070 3.288,1071 1,1072 18.256,1073 2.275,1074 11.262,1075 14.037,1076 4.471,1077 22.327,1078 10.832,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.46,1084 15.615,1085 5.117,1086 24.772,1087 11.983,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 5.506,1095 27.148,1096 12.984,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.683,1102 18.573,1103 6.093,1104 29.584,1105 14.099,1106 2.532,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 6.532,1113 31.995,1114 15.154,1115 2.353,1116 7.35,1117 27.545,1118 3.367,1119 16.953,1120 21.577,1121 7.084,1122 34.432,1123 16.26,1124 2.119,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 7.551,1131 36.861,1132 17.344,1133 25910,1134 39724,1135 31.205,1136 49.614,1137 67.292,1138 68.233,1139 68.092,1140 66.94,1141 66.916,1142 84.362,1143 9.304,1144 189.458,1145 63.91,1146 5.693,1147 5.545,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 13.115,1156 1.495,1157 1.516,1158 1.513,1159 1.488,1160 1.487,1161 1.875,1162 0.207,1163 4.21,1164 1.42,1165 4.143,1166 4.195,1167 4.118,1168 3.988,1169 7.431,1170 4.012,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.897,1178 3.935,1179 3.842,1180 3.802,1181 4.758,1182 3.808,1183 3.782,1184 3.839,1185 3.676,1186 3.626,1187 4.75,1188 3.628,1189 3.696,1190 3.755,1191 3.58,1192 3.485,1193 4.623,1194 3.5,1195 3.612,1196 3.684,1197 3.506,1198 3.375,1199 4.485,1200 3.39,1201 3.321,1202 3.393,1203 3.232,1204 3.106,1205 4.254,1206 3.126,1207 3.229,1208 3.297,1209 3.088,1210 3.042,1211 4.219,1212 3.043,1213 0.104,1214 0.079,1215 0.153,1216 0.094,1217 0.073,1218 4.693,1219 0.103,1220 3.545,1221 0.037,1222 6.903,1223 0.258,1224 4.237,1225 0.069,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.03,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.783,1245 1.988,1246 1.968,1247 1.14,1248 1.969,1249 1.77,1250 1.719,1251 1.933,1252 1.95,1253 1.105,1254 1.955,1255 1.588,1256 1.536,1257 1.844,1258 1.833,1259 0.989,1260 1.831,1261 1.549,1262 1.473,1263 1.718,1264 1.763,1265 0.883,1266 1.76,1267 1.316,1268 1.237,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.188,1274 1.133,1275 1.513,1276 1.463,1277 0.825,1278 1.444,1279 4.511,1281 5.826,1282 2.398,1283 7.341,1284 4.727,1285 8.947,1286 6.862,1287 10.602,1289 1.89,1295 8.558,1296 5.6,1297 5.613,1299 0.286,1300 4.796,1305 46.976,1306 115.518,1307 283.445,1308 371.584,1309 407.333,1310 410.088,1311 410.088,1312 60.511,1313 8.986,1314 100.44,1315 100.44,1316 35,1317 12.995,1318 4.585,1319 3.7,1320 57.149,1321 200,1322 256,1323 0.133,1324 284.326,1325 486.34,1326 685.515,1327 113097,1329 27.313,1330 0.683,1331 0.573,1332 27.313,1333 22.922,1334 19.674,1335 0.437,1336 0.315,1337 13.954,1338 18.844,1339 13.7,1340 11.283,1341 19.674,1342 14.172,1343 17.293,1344 0.279,1345 0.167,1346 17.293,1347 10.351,1348 14.852,1349 0.177,1350 0.091,1351 14.852,1352 7.635,1353 12.878,1354 0.113,1355 0.048,1356 12.878,1357 5.525,1358 10.658,1359 0.071,1360 0.026,1361 10.658,1362 3.965,1363 0.211,1364 123.48,1365 0.179,1366 36.102,1367 0.361,1368 214,1369 572.007,1370 236.272,1371 551.296,1372 771.05,1373 522,1374 253,1375 581.946,1376 276.885,1377 584.831,1378 863.77,1379 553,1380 6.59}
{0 CHEMBL1098310,1 1.58,2 8.821,3 2.616,4 6.846,5 105.962,6 7.946,7 0.688,8 3.994,9 4.119,10 3.633,11 3.508,12 5.122,13 3.519,14 4.514,15 4.681,16 3.995,17 3.884,18 5.612,19 3.883,20 4.717,21 4.93,22 4.037,23 3.981,24 5.762,25 3.956,26 4.699,27 4.923,28 4.013,29 3.974,30 5.728,31 3.94,32 4.689,33 4.895,34 4.048,35 4.016,36 5.754,37 3.982,38 4.746,39 4.956,40 4.045,41 4.02,42 5.782,43 3.993,44 4.725,45 4.935,46 3.975,47 3.985,48 5.779,49 3.944,50 4.683,51 4.892,52 3.823,53 3.989,54 5.699,55 3.903,56 0.071,57 0.789,58 8.667,59 3.664,60 8.366,61 4.698,62 0.287,63 1.245,64 16.905,65 6.008,66 21.634,67 7.809,68 0.423,69 1.455,70 22.928,71 7.167,72 32.28,73 10.013,74 0.369,75 1.455,76 22.416,77 7.129,78 28.496,79 10.214,80 0.352,81 1.45,82 21.383,83 7.387,84 31.859,85 10.339,86 0.336,87 1.517,88 22.808,89 6.926,90 28.907,91 9.71,92 0.524,93 1.441,94 22.734,95 6.884,96 33.829,97 9.53,98 0.306,99 1.355,100 21.362,101 7.99,102 29.135,103 10.95,104 2,105 45,106 0.265,107 0.614,108 0.733,109 0.804,110 0.826,111 0.826,112 3.376,113 0.859,114 -4.91,115 -4.82,116 -4.52,119 42.6,125 4,142 8,143 1,144 1,145 1,146 1,147 2,149 1,161 1,163 1,164 1,165 1,166 1,172 6,174 3,175 9,177 1,178 1,180 1,183 5,185 1,186 4,187 7,192 1,195 2,197 1,198 5,199 7,204 1,207 2,209 1,211 3,212 9,214 2,215 2,220 3,223 1,224 8,232 2,236 3,237 9,239 2,240 2,242 1,245 3,247 1,249 1,250 6,252 1,253 1,258 4,263 4,268 2,271 5,273 2,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.069,282 19.942,283 11.727,284 20.111,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.107,291 22.362,292 5.627,293 16.777,294 3.974,295 1.9,296 1.191,297 0.766,298 0.638,299 0.638,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 21.409,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60.5,331 247,332 4.706,333 3.378,334 6.903,335 4.236,336 3.288,337 4.661,338 0.86,339 11.617,340 3.116,341 4.214,342 3.026,343 6.328,344 3.802,345 2.854,346 3.836,347 0.8,348 9.591,349 2.706,350 4.062,351 2.845,352 6.124,353 3.702,354 2.76,355 3.607,357 9.006,358 2.602,359 3.652,360 2.512,361 5.574,362 3.295,363 2.344,364 3.052,366 7.156,367 2.222,368 3.595,369 2.28,370 5.05,371 3.152,372 2.2,373 2.985,375 6.076,376 2.09,377 3.139,378 2.19,379 4.792,380 2.785,381 1.843,382 2.295,384 4.963,385 1.736,386 2.94,387 1.728,388 4.327,389 2.454,390 1.513,391 2.138,393 4.043,394 1.416,395 2.853,396 1.5,397 4.161,398 2.421,399 1.468,400 1.964,402 3.569,403 1.395,404 2.652,405 1.387,406 3.753,407 2.156,408 1.225,409 1.721,411 2.916,412 1.139,413 2.5,414 1.256,415 3.5,416 2.067,417 1.133,418 1.5,420 2.602,421 1.047,422 2.5,423 1.168,424 3.474,425 2,426 1,427 1.5,428 2.488,429 1,430 2.393,431 1,432 3.399,433 1.957,434 1,435 1.376,436 2.136,437 0.954,438 2.01,439 1,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 0.706,449 3.247,450 1.564,451 0.634,452 0.859,454 1.753,455 0.588,456 1.06,457 -0.216,458 2.756,459 0.625,460 -0.317,461 -0.411,463 -0.808,464 -0.296,465 13.133,466 0.469,467 0.551,468 0.02,469 40.75,470 1.455,471 21,472 0.75,473 19.75,474 0.705,475 19.928,476 0.712,477 28.867,478 0.614,479 30.024,480 1.072,481 8.106,482 0.29,483 5.687,484 0.203,485 0.03,487 0.327,493 0.906,494 1.363,495 0.714,496 1.069,497 0.992,498 0.893,499 1.228,500 1.174,501 0.873,502 0.966,503 0.863,504 0.892,505 1.149,506 1.104,507 0.929,508 0.886,509 0.9,510 0.875,511 0.864,512 1.02,513 0.883,514 0.886,515 0.917,516 0.874,517 0.791,518 1.04,519 0.871,520 0.944,521 0.85,522 0.916,523 1.256,524 1.168,525 1.07,526 0.986,527 1.102,528 0.976,529 1.219,530 0.927,531 1.169,532 0.921,533 1.127,534 1.003,535 0.898,536 1.017,537 1.196,538 1.188,539 0.945,540 1.226,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 23935,553 2.223,554 40.4,556 16,558 1,559 2,564 1.72,565 2.154,566 3.136,567 0.282,568 1,569 1,573 74.265,574 1.58,575 3.655,576 4.363,577 4.789,578 4.916,579 4.916,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,590 1,591 261.066,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.33,606 0.88,607 0.343,608 136.928,609 -0.018,610 -0.196,611 0.073,612 -0.086,613 -0.117,614 -0.007,615 -0.047,616 -0.076,617 0.017,618 -0.016,619 0.032,620 -0.003,621 -0.042,622 -0.059,623 0.029,624 0.049,625 0.05,626 0.045,627 0.031,628 0.042,629 0.063,630 0.045,631 0.012,632 0.057,633 0.09,634 0.026,635 0.045,636 0.013,637 0.067,638 0.02,639 -0.229,640 -0.084,641 -0.138,642 -0.071,643 -0.177,644 -0.078,645 -0.065,646 0.149,647 -0.223,648 -0.007,649 -0.133,650 -0.111,651 -0.08,652 -0.002,653 -0.283,654 -0.19,655 -0.054,656 -0.251,657 1.231,658 2.004,659 0.964,660 24,661 1.007,662 1.132,663 3.682,664 13.558,665 0.682,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.66,678 373.46,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 14.9,693 1,695 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,722 1,726 1,731 47,733 22,734 1,735 32,737 51,738 20,739 16,740 1,741 5,746 5,747 6,761 16,762 4,777 1,778 1,781 19,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 4,856 1,859 1,870 2.1,874 1,877 13,878 8.45,879 6.083,880 2.778,881 3.807,882 1.481,883 1.045,884 4.394,885 11.718,886 3.784,887 4.422,888 5.09,889 5.763,890 6.374,891 6.809,892 7.376,893 7.889,894 8.298,895 8.721,896 0.833,897 46,898 10.3,900 4.425,901 7.613,902 19.81,904 16.43,905 2.113,906 59.167,909 1,910 200.109,911 115.039,912 104.818,914 11,917 115.039,918 211.109,919 104.818,921 13.396,922 108.707,923 91.506,924 24.363,925 4.656,926 188.338,928 200.109,929 219.857,930 11,933 202.437,935 11,937 28.692,938 121.817,939 67.02,941 200.109,942 115.818,943 115.039,946 200.109,947 30.182,948 89.758,950 110.917,951 200.109,952 115.818,953 115.039,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.059,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 126.606,974 17.11,975 7.19,976 3.229,977 1.639,978 114.041,979 17.232,980 18.61,984 3.382,985 1.83,986 32.897,987 430.965,988 43,999 47.342,1000 53.189,1001 0.284,1002 0.658,1003 0.785,1004 0.862,1005 0.885,1006 0.885,1007 5.014,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.109,1013 1.235,1014 6.725,1015 4.403,1016 6.219,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.856,1022 0.325,1023 7.662,1024 3.839,1025 7.528,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.364,1031 0.938,1032 10.826,1033 5.896,1034 8.879,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 8.024,1040 0.268,1041 12.643,1042 6.216,1043 10.268,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 9.954,1049 0.732,1050 15.31,1051 7.702,1052 11.684,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 11.056,1058 0.188,1059 17.479,1060 8.437,1061 13.123,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.743,1067 0.57,1068 19.984,1069 9.688,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 14.066,1076 0.125,1077 22.301,1078 10.623,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.652,1085 0.438,1086 24.754,1087 11.781,1088 2.76,1089 9.591,1090 21.845,1091 4.661,1092 13.406,1093 17.083,1094 0.082,1095 27.137,1096 12.81,1097 2.344,1098 9.006,1099 23.72,1100 3.836,1101 14.581,1102 18.631,1103 0.334,1104 29.577,1105 13.935,1106 2.2,1107 7.156,1108 25.601,1109 3.607,1110 15.712,1111 20.114,1112 0.054,1113 31.991,1114 15.01,1115 1.843,1116 6.076,1117 27.488,1118 3.052,1119 16.881,1120 21.649,1121 0.252,1122 34.43,1123 16.127,1124 1.513,1125 4.963,1126 29.38,1127 2.985,1128 18.034,1129 23.159,1130 0.035,1131 36.861,1132 17.226,1133 8616,1134 13958,1135 22.364,1136 32.063,1137 48.809,1138 48.698,1139 49.005,1140 48.571,1141 48.523,1142 64.99,1143 3.32,1144 140.1,1145 45.915,1146 5.706,1147 5.378,1148 6.705,1149 5.339,1150 5.288,1151 7.661,1152 1.72,1153 19.164,1154 5.116,1155 6.891,1156 1.525,1157 1.522,1158 1.531,1159 1.518,1160 1.516,1161 2.031,1162 0.104,1163 4.378,1164 1.435,1165 4.138,1166 4.187,1167 4.121,1168 3.982,1169 5.21,1170 4.009,1171 3.878,1172 3.92,1173 3.827,1174 3.783,1175 5.101,1176 3.787,1177 3.808,1178 3.853,1179 3.739,1180 3.696,1181 4.753,1182 3.704,1183 3.703,1184 3.756,1185 3.594,1186 3.489,1187 4.617,1188 3.506,1189 3.25,1190 3.321,1191 3.206,1192 3.039,1193 4.589,1194 3.07,1195 3.111,1196 3.206,1197 2.928,1198 2.941,1199 4.376,1200 2.91,1201 3.029,1202 3.124,1203 2.866,1204 2.812,1205 3.996,1206 2.83,1207 2.935,1208 3.004,1209 2.815,1210 2.735,1211 3.76,1212 2.724,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.706,1219 0.146,1220 3.378,1221 0.027,1222 6.903,1223 0.363,1224 4.236,1225 0.097,1226 3.288,1227 4.661,1228 0.86,1229 11.617,1230 3.116,1231 1.938,1232 1.903,1233 2.026,1234 2.092,1235 1.22,1236 2.067,1237 1.867,1238 1.832,1239 1.971,1240 1.99,1241 1.09,1242 1.99,1243 1.76,1244 1.717,1245 1.912,1246 1.945,1247 0.975,1248 1.937,1249 1.58,1250 1.533,1251 1.715,1252 1.773,1253 0.844,1254 1.759,1255 1.252,1256 1.179,1257 1.513,1258 1.538,1259 0.825,1260 1.495,1261 1.153,1262 1.064,1263 1.363,1264 1.376,1265 0.353,1266 1.429,1267 1.037,1268 0.979,1269 1.268,1270 1.315,1271 0.241,1272 1.314,1273 0.886,1274 0.821,1275 1.181,1276 1.113,1277 0.227,1278 1.111,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1293 5.879,1295 2.882,1297 5.504,1300 2.209,1305 31.025,1306 74.265,1307 171.781,1308 205.066,1309 225.066,1310 231.066,1311 231.066,1312 32.577,1313 7.911,1314 94.98,1315 94.98,1316 29,1317 12.772,1318 4.524,1319 3.585,1320 37.229,1321 95,1322 93,1323 0.195,1324 187.933,1325 308.55,1326 450.316,1327 27442,1329 18.924,1330 0.676,1331 0.543,1332 18.924,1333 15.193,1334 13.793,1335 0.431,1336 0.286,1337 9.003,1338 13.177,1339 8.877,1340 7.293,1341 13.793,1342 9.163,1343 12.292,1344 0.273,1345 0.145,1346 12.292,1347 6.547,1348 10.787,1349 0.171,1350 0.075,1351 10.787,1352 4.719,1353 9.528,1354 0.108,1355 0.038,1356 9.528,1357 3.358,1358 8.076,1359 0.068,1360 0.019,1361 8.076,1362 2.3,1363 0.294,1364 86.837,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 438.918,1370 171.172,1371 426.61,1372 605.03,1373 404,1374 185,1375 469.267,1376 204.282,1377 471.345,1378 699.37,1379 446,1380 6}
{0 CHEMBL1098311,1 1.58,2 9.25,3 2.077,4 4.315,5 105.649,6 7.946,7 0.688,8 3.994,9 4.119,10 3.633,11 3.508,12 5.124,13 3.519,14 4.513,15 4.68,16 3.992,17 3.886,18 5.598,19 3.886,20 4.716,21 4.926,22 4.041,23 3.987,24 5.78,25 3.958,26 4.716,27 4.949,28 3.994,29 3.97,30 5.73,31 3.931,32 4.667,33 4.875,34 4.018,35 3.999,36 5.685,37 3.965,38 4.709,39 4.908,40 4.047,41 4.008,42 5.776,43 3.981,44 4.727,45 4.944,46 3.949,47 3.973,48 5.778,49 3.934,50 4.656,51 4.862,52 3.773,53 3.975,54 5.645,55 3.875,56 0.071,57 0.789,58 8.667,59 3.664,60 8.699,61 4.698,62 0.274,63 1.243,64 16.917,65 5.945,66 19.295,67 7.736,68 0.422,69 1.459,70 22.681,71 7.314,72 34.408,73 10.158,74 0.396,75 1.46,76 23.3,77 7.232,78 31.691,79 10.439,80 0.32,81 1.408,82 21.083,83 7.219,84 24.944,85 10.145,86 0.314,87 1.482,88 21.341,89 6.994,90 29.172,91 9.654,92 0.536,93 1.434,94 23.167,95 6.52,96 36.686,97 9.103,98 0.278,99 1.307,100 20.623,101 8.331,102 26.797,103 11.34,104 2,105 45,106 0.265,107 0.622,108 0.743,109 0.806,110 0.826,111 0.826,112 3.376,113 0.858,114 -4.1,115 -4.05,116 -3.83,119 42.6,125 4,142 7,143 1,144 2,145 2,146 1,147 1,149 1,161 1,163 1,164 1,165 1,166 1,172 5,174 3,175 8,180 1,183 4,185 1,186 4,187 7,189 1,190 1,192 1,195 2,197 1,198 5,199 7,207 2,211 3,212 7,220 3,223 1,224 8,226 2,227 2,232 2,236 3,237 7,245 2,249 1,250 5,252 2,253 2,255 1,258 4,260 1,263 4,265 1,266 1,271 3,275 1158,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.069,282 19.942,283 11.691,284 20.1,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.101,291 22.362,292 5.608,293 16.743,294 3.974,295 1.85,296 1.131,297 0.756,298 0.638,299 0.638,300 4.092,303 1,304 1,305 1,306 579,307 2.121,310 57.042,311 299.285,314 103.105,318 1.214,319 21.264,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60.5,331 259,332 4.706,333 3.378,334 6.903,335 4.235,336 3.287,337 4.661,338 0.86,339 11.616,340 3.116,341 4.199,342 3.026,343 6.327,344 3.793,345 2.846,346 3.814,347 0.8,348 9.586,349 2.7,350 4.053,351 2.82,352 6.104,353 3.692,354 2.745,355 3.601,357 8.918,358 2.599,359 3.661,360 2.511,361 5.573,362 3.303,363 2.349,364 3.09,366 7.15,367 2.231,368 3.641,369 2.341,370 5.045,371 3.219,372 2.251,373 3.017,375 6.091,376 2.174,377 3.14,378 2.191,379 4.793,380 2.786,381 1.844,382 2.296,384 4.963,385 1.738,386 2.967,387 1.73,388 4.4,389 2.455,390 1.516,391 2.182,393 4.229,394 1.416,395 2.853,396 1.512,397 4.161,398 2.422,399 1.484,400 1.961,402 3.569,403 1.388,404 2.538,405 1.385,406 3.756,407 2.096,408 1.202,409 1.556,411 2.908,412 1.067,413 2.5,414 1.256,415 3.5,416 2,417 1.036,418 1.5,420 2.565,421 1,422 2.5,423 1.044,424 3.414,425 1.998,426 1,427 1.5,428 2.275,429 0.995,430 2.402,431 1,432 3.406,433 1.956,434 1,435 1.386,436 2.136,437 0.953,438 2.017,439 1,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 0.728,449 3.247,450 1.581,451 0.651,452 0.874,454 1.796,455 0.603,456 1.2,457 -0.026,458 2.763,459 0.799,460 -0.137,461 -0.174,463 -0.316,464 -0.128,465 13.133,466 0.469,467 0.551,468 0.02,469 40.75,470 1.455,471 21,472 0.75,473 19.75,474 0.705,475 19.85,476 0.709,477 28.867,478 0.614,479 29.915,480 1.068,481 8.105,482 0.289,483 5.688,484 0.203,485 0.03,487 0.327,493 0.906,494 1.363,495 0.714,496 1.069,497 0.98,498 0.893,499 1.282,500 1.194,501 0.882,502 0.953,503 0.929,504 0.88,505 1.081,506 1.115,507 0.932,508 0.936,509 0.857,510 0.918,511 0.889,512 0.963,513 0.895,514 0.847,515 0.924,516 0.853,517 0.846,518 1.047,519 0.861,520 0.907,521 0.882,522 0.879,523 1.102,524 1.199,525 1.036,526 1.074,527 0.878,528 1.036,529 1.401,530 0.897,531 1.226,532 0.841,533 1.236,534 0.956,535 0.726,536 1.012,537 1.183,538 1.28,539 0.913,540 1.304,541 4,542 0.091,543 3.111,544 1.347,545 1.214,546 1.205,547 0.767,548 0.281,549 0.194,550 0.172,551 9421,552 24255,553 2.223,554 40.4,556 15,558 2,559 2,564 1.719,565 2.154,566 3.187,567 0.282,568 1,569 1,573 74.265,574 1.58,575 3.705,576 4.423,577 4.799,578 4.916,579 4.916,580 2.494,581 4.307,582 4.775,583 3.329,584 1258.48,585 8.357,586 16070,588 1,590 1,591 261.066,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.029,598 0.028,599 0.026,600 0.017,601 0.007,602 0.006,603 0.007,604 0.32,605 0.5,606 0.88,607 0.343,608 137.209,609 -0.018,610 -0.196,611 0.073,612 -0.086,613 -0.105,614 -0.007,615 -0.101,616 -0.097,617 0.008,618 -0.003,619 -0.036,620 0.009,621 0.01,622 -0.069,623 0.019,624 0.004,625 0.109,626 0.003,627 0.017,628 0.087,629 0.067,630 0.082,631 -0.009,632 0.083,633 0.02,634 0.01,635 0.058,636 0.057,637 -0.047,638 0.066,639 -0.108,640 -0.109,641 -0.124,642 -0.146,643 0.004,644 -0.136,645 -0.204,646 0.184,647 -0.268,648 0.058,649 -0.224,650 -0.074,651 0.021,652 -0.018,653 -0.279,654 -0.253,655 -0.101,656 -0.304,657 1.119,658 2.004,659 0.964,660 24.694,661 1.007,662 1.132,663 2.87,664 8.238,665 0.682,666 3.497,667 3.829,668 4.159,669 4.477,670 4.779,671 4.934,672 5.165,673 5.361,674 5.505,675 5.613,676 5.726,677 0.66,678 373.46,679 3.497,680 5.043,681 5.916,682 6.808,683 7.703,684 8.607,685 9.513,686 10.425,687 11.338,688 12.255,689 14.9,693 1,695 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,722 1,726 1,731 47,733 22,734 1,735 32,737 51,738 20,739 16,740 1,741 5,746 5,747 6,761 16,762 4,777 1,778 1,781 19,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 4,856 1,859 1,870 2.1,874 1,877 13,878 8.45,879 6.083,880 2.766,881 3.798,882 1.48,883 1.045,884 4.394,885 11.709,886 3.784,887 4.422,888 5.09,889 5.756,890 6.374,891 6.814,892 7.368,893 7.884,894 8.302,895 8.735,896 0.714,897 46,898 10.297,900 4.422,901 7.613,902 19.81,904 16.439,905 2.113,906 59.167,910 200.109,911 115.039,912 104.818,914 11,917 115.039,918 211.109,919 104.818,921 13.396,922 99.231,923 103.277,924 36.167,925 2.328,926 176.567,928 200.109,929 219.857,930 11,933 202.437,935 11,937 37.74,938 112.77,939 67.02,941 200.109,942 115.818,943 115.039,946 200.109,947 30.611,948 89.329,950 110.917,951 200.109,952 115.818,953 115.039,955 0.578,956 0.342,957 0.193,958 0.113,959 24,960 9,961 0.059,962 3,963 1,964 1.074,965 3.964,966 263.83,967 0.074,968 27,969 126.606,974 17.11,975 7.19,976 3.229,977 1.654,978 114.041,979 17.034,980 18.62,984 3.62,985 1.835,986 32.897,987 430.965,988 43,999 47.342,1000 53.189,1001 0.284,1002 0.667,1003 0.796,1004 0.864,1005 0.885,1006 0.885,1007 5.014,1008 1.484,1009 5.889,1010 4.229,1011 4.511,1012 5.109,1013 1.235,1014 6.723,1015 4.405,1016 6.219,1017 1.202,1018 7.452,1019 3.569,1020 4.007,1021 4.856,1022 0.325,1023 7.662,1024 3.85,1025 7.528,1026 1.036,1027 9.121,1028 2.908,1029 6.111,1030 7.364,1031 0.938,1032 10.818,1033 5.902,1034 8.879,1035 1,1036 10.855,1037 2.565,1038 6.494,1039 8.024,1040 0.268,1041 12.638,1042 6.229,1043 10.267,1044 1,1045 12.633,1046 2.275,1047 8.023,1048 9.952,1049 0.732,1050 15.301,1051 7.709,1052 11.683,1053 1,1054 14.441,1055 2.136,1056 8.817,1057 11.053,1058 0.188,1059 17.471,1060 8.445,1061 13.121,1062 0.651,1063 16.27,1064 2.136,1065 10.114,1066 12.74,1067 0.57,1068 19.975,1069 9.693,1070 3.287,1071 -0.137,1072 18.115,1073 1.796,1074 11.105,1075 14.06,1076 0.125,1077 22.293,1078 10.626,1079 2.846,1080 11.616,1081 19.973,1082 -0.316,1083 12.312,1084 15.647,1085 0.438,1086 24.747,1087 11.782,1088 2.745,1089 9.586,1090 21.84,1091 4.661,1092 13.397,1093 17.077,1094 0.082,1095 27.131,1096 12.81,1097 2.349,1098 8.918,1099 23.714,1100 3.814,1101 14.572,1102 18.625,1103 0.334,1104 29.571,1105 13.934,1106 2.251,1107 7.15,1108 25.596,1109 3.601,1110 15.702,1111 20.109,1112 0.054,1113 31.986,1114 15.008,1115 1.844,1116 6.091,1117 27.483,1118 3.09,1119 16.871,1120 21.644,1121 0.252,1122 34.426,1123 16.124,1124 1.516,1125 4.963,1126 29.374,1127 3.017,1128 18.024,1129 23.154,1130 0.035,1131 36.857,1132 17.222,1133 8708,1134 14120,1135 22.364,1136 32.063,1137 48.73,1138 48.586,1139 49.001,1140 48.467,1141 48.424,1142 64.873,1143 3.32,1144 139.875,1145 45.853,1146 5.706,1147 5.378,1148 6.705,1149 5.339,1150 5.287,1151 7.661,1152 1.72,1153 19.163,1154 5.116,1155 7.083,1156 1.523,1157 1.518,1158 1.531,1159 1.515,1160 1.513,1161 2.027,1162 0.104,1163 4.371,1164 1.433,1165 4.138,1166 4.187,1167 4.121,1168 3.982,1169 5.193,1170 4.009,1171 3.879,1172 3.921,1173 3.827,1174 3.784,1175 5.095,1176 3.787,1177 3.809,1178 3.854,1179 3.74,1180 3.698,1181 4.765,1182 3.705,1183 3.703,1184 3.756,1185 3.594,1186 3.489,1187 4.629,1188 3.506,1189 3.263,1190 3.335,1191 3.219,1192 3.049,1193 4.617,1194 3.082,1195 3.111,1196 3.206,1197 2.934,1198 2.941,1199 4.386,1200 2.91,1201 3.013,1202 3.087,1203 2.866,1204 2.811,1205 3.988,1206 2.829,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.795,1212 2.715,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.706,1219 0.146,1220 3.378,1221 0.027,1222 6.903,1223 0.363,1224 4.235,1225 0.097,1226 3.287,1227 4.661,1228 0.86,1229 11.616,1230 3.116,1231 1.938,1232 1.903,1233 2.025,1234 2.092,1235 1.22,1236 2.067,1237 1.867,1238 1.833,1239 1.971,1240 1.99,1241 1.09,1242 1.99,1243 1.761,1244 1.718,1245 1.911,1246 1.945,1247 0.975,1248 1.938,1249 1.581,1250 1.533,1251 1.714,1252 1.775,1253 0.843,1254 1.761,1255 1.253,1256 1.18,1257 1.513,1258 1.538,1259 0.825,1260 1.495,1261 1.153,1262 1.064,1263 1.364,1264 1.376,1265 0.352,1266 1.429,1267 1.046,1268 0.99,1269 1.242,1270 1.298,1271 0.233,1272 1.29,1273 0.886,1274 0.821,1275 1.181,1276 1.098,1277 0.226,1278 1.107,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.666,1286 6.862,1287 10.345,1293 5.786,1295 2.899,1297 5.504,1300 2.214,1305 31.025,1306 74.265,1307 174.13,1308 207.904,1309 225.556,1310 231.066,1311 231.066,1312 32.845,1313 7.911,1314 94.98,1315 94.98,1316 29,1317 12.767,1318 4.524,1319 3.585,1320 37.26,1321 96,1322 104,1323 0.193,1324 187.933,1325 308.55,1326 450.316,1327 27442,1329 18.924,1330 0.676,1331 0.543,1332 18.924,1333 15.193,1334 13.793,1335 0.431,1336 0.286,1337 8.992,1338 13.176,1339 8.862,1340 7.283,1341 13.793,1342 9.152,1343 12.28,1344 0.273,1345 0.146,1346 12.28,1347 6.576,1348 10.871,1349 0.173,1350 0.075,1351 10.871,1352 4.735,1353 9.376,1354 0.108,1355 0.038,1356 9.376,1357 3.32,1358 8.07,1359 0.068,1360 0.02,1361 8.07,1362 2.306,1363 0.292,1364 86.883,1365 0.211,1366 26.12,1367 0.568,1368 154,1369 438.918,1370 170.783,1371 426.746,1372 604.13,1373 404,1374 185,1375 466.915,1376 204.31,1377 469.916,1378 696.24,1379 444,1380 5.979}
{0 CHEMBL1098619,1 1.583,2 10.871,3 2.666,4 7.11,5 116.559,6 7.821,7 0.629,8 4.096,9 4.215,10 3.719,11 3.624,12 5.212,13 3.626,14 4.626,15 4.793,16 4.08,17 3.999,18 5.728,19 3.988,20 4.838,21 5.041,22 4.117,23 4.109,24 5.895,25 4.076,26 4.839,27 5.064,28 4.114,29 4.12,30 5.878,31 4.075,32 4.83,33 5.031,34 4.125,35 4.159,36 5.889,37 4.112,38 4.875,39 5.084,40 4.108,41 4.158,42 5.891,43 4.107,44 4.845,45 5.061,46 4.031,47 4.117,48 5.846,49 4.055,50 4.79,51 4.992,52 3.928,53 4.119,54 5.811,55 4.016,56 0.061,57 0.842,58 9.893,59 4.405,60 6.953,61 5.615,62 0.318,63 1.347,64 19.544,65 7.142,66 25.113,67 9.344,68 0.456,69 1.597,70 26.325,71 8.484,72 42.519,73 11.502,74 0.402,75 1.639,76 26.418,77 8.785,78 35.913,79 12.439,80 0.321,81 1.597,82 25.267,83 9.056,84 38.135,85 12.442,86 0.371,87 1.671,88 26.785,89 9.088,90 35.864,91 12.507,92 0.5,93 1.586,94 26.554,95 8.645,96 35.127,97 12.067,98 0.29,99 1.468,100 24.061,101 10.236,102 37.235,103 13.942,104 7,105 49,106 0.259,107 0.605,108 0.728,109 0.791,110 0.812,111 0.812,112 3.473,113 0.875,114 -5.09,115 -4.99,116 -4.67,119 43.4,120 1,125 4,142 9,143 2,144 2,145 1,147 1,149 1,158 1,161 1,166 1,172 8,174 3,175 10,178 1,180 3,183 8,186 2,187 8,192 2,195 4,198 5,199 13,204 1,207 5,211 1,212 11,220 6,224 12,227 2,232 6,236 3,237 7,245 6,249 2,250 6,253 2,255 1,258 9,263 4,266 1,271 6,275 1614,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 18.777,282 23.619,283 12.84,284 21.908,285 17.351,286 17.351,287 17.351,288 17.351,289 17.351,290 13.324,291 29.62,292 6.161,293 18.145,294 4.145,295 2.034,296 1.284,297 0.896,298 0.769,299 0.769,300 4.185,304 1,305 1,306 744,307 2.915,310 68.386,311 348.534,314 122.484,318 1.569,319 24.511,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 67,331 337,332 4.706,333 3.533,334 6.903,335 4.236,336 3.287,337 4.661,338 1.907,339 11.616,340 3.119,341 4.207,342 3.378,343 6.327,344 3.812,345 2.851,346 3.823,347 0.86,348 9.586,349 2.755,350 4.065,351 3.026,352 6.107,353 3.714,354 2.761,355 3.609,356 0.8,357 8.93,358 2.622,359 3.793,360 2.82,361 5.573,362 3.459,363 2.493,364 3.176,365 0.149,366 7.225,367 2.405,368 3.65,369 2.519,370 5.419,371 3.279,372 2.317,373 3.026,375 7.114,376 2.216,377 3.383,378 2.376,379 4.793,380 2.956,381 1.94,382 2.597,384 4.963,385 1.958,386 3.139,387 2.191,388 4.538,389 2.785,390 1.841,391 2.295,393 4.774,394 1.737,395 2.956,396 1.731,397 4.319,398 2.456,399 1.514,400 2.15,402 4.119,403 1.418,404 2.852,405 1.535,406 4.161,407 2.427,408 1.469,409 1.96,411 3.569,412 1.4,413 2.538,414 1.387,415 3.758,416 2.098,417 1.201,418 1.555,420 2.909,421 1.068,422 2.5,423 1.256,424 3.5,425 2,426 1.036,427 1.5,428 2.566,429 1,430 2.5,431 1.052,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.402,439 1,440 3.407,441 1.999,442 1,443 1.386,445 2.136,446 0.995,447 2.018,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.751,458 3.247,459 1.584,460 0.652,461 0.875,463 1.801,464 0.606,465 14.567,466 0.47,467 0.657,468 0.021,469 43.75,470 1.411,471 22.5,472 0.726,473 21.25,474 0.685,475 23.682,476 0.764,477 32.233,478 0.608,479 33.859,480 1.092,481 8.769,482 0.283,483 6.417,484 0.207,485 0.057,487 0.33,493 0.774,494 1.364,495 0.716,496 1.097,497 0.612,498 0.929,499 1.05,500 1.164,501 0.86,502 0.959,503 0.669,504 0.895,505 1.274,506 1.146,507 1.011,508 0.895,509 1.149,510 0.906,511 0.787,512 0.956,513 0.882,514 0.866,515 0.643,516 0.867,517 0.917,518 1.128,519 0.936,520 0.982,521 0.973,522 0.956,523 1.031,524 1.095,525 1.058,526 1.012,527 0.864,528 1.02,529 0.999,530 0.927,531 1.109,532 0.913,533 0.639,534 0.988,535 0.507,536 1.073,537 1.056,538 1.282,539 0.497,540 1.27,541 5,542 0.194,543 3.111,544 1.597,545 1.414,546 1.323,547 0.847,548 0.344,549 0.207,550 0.208,551 12626,552 33697,553 2.18,554 41.5,556 17,558 1,559 1,560 3,564 1.743,565 2.09,566 3.384,567 -0.329,569 1,573 83.921,574 1.583,575 3.694,576 4.444,577 4.832,578 4.959,579 4.959,580 2.882,581 4.349,582 4.918,583 3.573,584 1661.53,585 8.634,586 23028.2,588 1,590 1,591 303.58,592 1.215,593 4.907,594 0.143,595 0.008,596 0.063,597 0.032,598 0.028,599 0.026,600 0.017,601 0.008,602 0.005,603 0.006,604 0.337,605 0.17,606 0.88,607 0.735,608 158.816,609 0.011,610 -0.202,611 0.075,612 -0.099,613 -0.037,614 -0.021,615 0.01,616 -0.061,617 0.038,618 -0.002,619 0.049,620 0.01,621 -0.161,622 -0.088,623 -0.053,624 0.044,625 -0.117,626 0.013,627 0.024,628 0.122,629 0.064,630 0.072,631 0.043,632 0.076,633 -0.068,634 -0.073,635 -0.017,636 -0.009,637 -0.073,638 -0.002,639 -0.131,640 -0.025,641 -0.123,642 -0.066,643 -0.102,644 -0.085,645 -0.067,646 0.142,647 -0.162,648 0.026,649 -0.059,650 -0.055,651 0.147,652 -0.086,653 -0.156,654 -0.246,655 0.108,656 -0.254,657 1.771,658 4.316,659 0.871,660 32.591,661 1.006,662 1.127,663 3.86,664 14.902,665 0.68,666 3.584,667 3.912,668 4.22,669 4.543,670 4.828,671 4.99,672 5.242,673 5.434,674 5.568,675 5.724,676 6.538,677 0.656,678 414.51,679 3.584,680 5.13,681 5.994,682 6.884,683 7.772,684 8.674,685 9.575,686 10.485,687 11.393,688 12.308,689 11.3,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 53,733 23,734 2,735 35,737 57,738 23,739 17,740 3,741 9,746 5,747 6,752 1,761 18,762 5,766 1,771 1,775 1,778 1,781 22,782 7,783 1,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,826 1,839 1,840 4,844 1,848 31,854 4,855 1,856 1,859 1,870 3.8,873 1,874 1,877 14.833,878 9.917,879 6.75,880 3.177,881 3.927,882 1.483,883 1.023,884 5.37,885 12.058,886 3.871,887 4.491,888 5.126,889 5.797,890 6.408,891 6.854,892 7.421,893 7.934,894 8.344,895 8.808,896 1,897 50,898 11.424,900 4.874,901 7.672,902 21.932,904 18.064,905 2.172,906 67.333,909 1,910 247.193,911 138.903,912 73.146,914 36.145,917 138.903,918 283.338,919 73.146,920 8.825,921 31.407,922 85.286,923 104.57,924 27.548,925 2.328,926 235.422,928 247.193,929 212.049,930 36.145,933 249.521,934 25.145,935 11,937 52.771,938 106.715,939 50.234,941 247.193,942 109.291,943 138.903,946 247.193,947 35.744,948 108.06,949 18.011,950 86.379,951 247.193,952 109.291,953 138.903,955 0.576,956 0.331,957 0.191,958 0.108,959 25,960 10,961 0.07,962 4,963 1,964 1.074,965 4.212,966 297.468,967 0.074,968 27,969 141.58,974 19.677,975 8.46,976 4.024,977 1.66,978 107.514,979 19.318,980 14.394,984 4.014,985 1.843,986 18.011,987 495.387,988 47,993 11.316,997 -0.105,999 53.334,1000 59.73,1001 0.276,1002 0.645,1003 0.776,1004 0.844,1005 0.866,1006 0.866,1007 5.103,1008 1.514,1009 5.969,1010 4.774,1011 4.595,1012 5.179,1013 2.25,1014 6.795,1015 4.509,1016 6.307,1017 1.469,1018 7.527,1019 4.119,1020 4.111,1021 4.945,1022 1.668,1023 7.719,1024 3.991,1025 7.614,1026 1.201,1027 9.189,1028 3.569,1029 6.188,1030 7.411,1031 2.986,1032 10.867,1033 6.012,1034 8.96,1035 1.036,1036 10.917,1037 2.909,1038 6.567,1039 8.07,1040 3.047,1041 12.67,1042 6.345,1043 10.342,1044 1,1045 12.687,1046 2.566,1047 8.086,1048 9.981,1049 4.056,1050 15.328,1051 7.814,1052 11.751,1053 1,1054 14.489,1055 2.275,1056 8.872,1057 11.077,1058 4.412,1059 17.489,1060 8.546,1061 13.182,1062 1,1063 16.312,1064 2.136,1065 10.163,1066 12.757,1067 5.254,1068 19.989,1069 9.79,1070 3.287,1071 0.652,1072 18.151,1073 2.136,1074 11.147,1075 14.074,1076 5.75,1077 22.302,1078 10.716,1079 2.851,1080 11.616,1081 20.003,1082 1.801,1083 12.349,1084 15.658,1085 6.502,1086 24.753,1087 11.87,1088 2.761,1089 9.586,1090 21.866,1091 4.661,1092 13.428,1093 17.086,1094 7.068,1095 27.135,1096 12.891,1097 2.493,1098 8.93,1099 23.737,1100 3.823,1101 14.6,1102 18.632,1103 7.771,1104 29.574,1105 14.012,1106 2.317,1107 7.225,1108 25.615,1109 3.609,1110 15.726,1111 20.114,1112 8.374,1113 31.988,1114 15.081,1115 1.94,1116 7.114,1117 27.499,1118 3.176,1119 16.891,1120 21.649,1121 9.051,1122 34.427,1123 16.194,1124 1.841,1125 4.963,1126 29.387,1127 3.026,1128 18.041,1129 23.158,1130 9.674,1131 36.858,1132 17.288,1133 11827,1134 19454,1135 24.156,1136 36.034,1137 53.133,1138 53.748,1139 53.427,1140 52.734,1141 52.724,1142 70.226,1143 7.432,1144 151.435,1145 50.492,1146 5.706,1147 5.533,1148 6.705,1149 5.34,1150 5.287,1151 7.661,1152 3.306,1153 19.163,1154 5.119,1155 10.949,1156 1.518,1157 1.536,1158 1.526,1159 1.507,1160 1.506,1161 2.006,1162 0.212,1163 4.327,1164 1.443,1165 4.142,1166 4.189,1167 4.123,1168 3.995,1169 7.43,1170 4.019,1171 3.909,1172 3.943,1173 3.855,1174 3.833,1175 5.151,1176 3.833,1177 3.822,1178 3.864,1179 3.752,1180 3.725,1181 4.789,1182 3.729,1183 3.706,1184 3.759,1185 3.595,1186 3.49,1187 4.689,1188 3.507,1189 3.525,1190 3.57,1191 3.439,1192 3.301,1193 4.617,1194 3.326,1195 3.217,1196 3.285,1197 3.167,1198 3.004,1199 4.442,1200 3.033,1201 3.111,1202 3.206,1203 2.902,1204 2.941,1205 4.016,1206 2.91,1207 2.977,1208 3.036,1209 2.866,1210 2.801,1211 3.907,1212 2.815,1213 0.134,1214 0.101,1215 0.197,1216 0.121,1217 0.094,1218 4.706,1219 0.133,1220 3.533,1221 0.054,1222 6.903,1223 0.332,1224 4.236,1225 0.089,1226 3.287,1227 4.661,1228 1.907,1229 11.616,1230 3.119,1231 1.962,1232 1.93,1233 2.041,1234 2.096,1235 1.223,1236 2.077,1237 1.891,1238 1.86,1239 2.005,1240 1.995,1241 1.114,1242 1.998,1243 1.785,1244 1.744,1245 1.933,1246 1.962,1247 1.079,1248 1.957,1249 1.587,1250 1.538,1251 1.735,1252 1.796,1253 0.865,1254 1.779,1255 1.44,1256 1.39,1257 1.683,1258 1.671,1259 0.825,1260 1.674,1261 1.249,1262 1.175,1263 1.513,1264 1.538,1265 0.716,1266 1.494,1267 1.153,1268 1.064,1269 1.359,1270 1.376,1271 0.354,1272 1.429,1273 0.996,1274 0.947,1275 1.181,1276 1.182,1277 0.271,1278 1.188,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.733,1286 6.862,1287 10.403,1289 1.49,1295 2.866,1296 2.787,1297 5.527,1300 2.222,1305 34.772,1306 83.921,1307 195.777,1308 235.541,1309 256.07,1310 262.825,1311 262.825,1312 41.289,1313 8.131,1314 85.17,1315 85.17,1316 29,1317 12.822,1318 4.585,1319 3.7,1320 43.323,1321 120,1322 139,1323 0.177,1324 210.984,1325 355.6,1326 506.561,1327 36485,1329 21.209,1330 0.684,1331 0.553,1332 21.209,1333 17.154,1334 15.187,1335 0.434,1336 0.292,1337 10.043,1338 14.524,1339 9.839,1340 8.11,1341 15.187,1342 10.208,1343 13.671,1344 0.279,1345 0.15,1346 13.671,1347 7.358,1348 11.506,1349 0.172,1350 0.077,1351 11.506,1352 5.183,1353 10.181,1354 0.109,1355 0.04,1356 10.181,1357 3.703,1358 8.552,1359 0.069,1360 0.021,1361 8.552,1362 2.543,1363 0.272,1364 95.489,1365 0.203,1366 28.73,1367 0.505,1368 168,1369 492.029,1370 186.304,1371 474.497,1372 663.17,1373 448,1374 200,1375 503.495,1376 219.39,1377 505.857,1378 746.1,1379 478,1380 6.863}
{0 CHEMBL1173655,1 1.772,2 12.294,3 3.917,4 15.346,5 129.707,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.726,15 4.893,16 4.197,17 4.056,18 5.876,19 4.048,20 4.942,21 5.121,22 4.274,23 4.171,24 6.139,25 4.13,26 4.967,27 5.208,28 4.165,29 4.132,30 6.015,31 4.071,32 4.859,33 5.044,34 4.213,35 4.152,36 6.044,37 4.113,38 4.952,39 5.142,40 4.295,41 4.21,42 6.103,43 4.177,44 5.02,45 5.215,46 4.308,47 4.226,48 6.246,49 4.183,50 4.972,51 5.17,52 4.257,53 4.155,54 6.172,55 4.11,56 0.126,57 0.934,58 10.471,59 5.109,60 11.754,61 6.243,62 0.505,63 1.435,64 22.484,65 8.349,66 37.14,67 10.323,68 0.846,69 1.652,70 32.099,71 10.804,72 74.613,73 13.267,74 0.744,75 1.618,76 35.818,77 11.177,78 69.081,79 15.245,80 0.694,81 1.557,82 28.054,83 10.023,84 61.354,85 13.071,86 0.675,87 1.688,88 29.735,89 10.483,90 57.05,91 13.739,92 0.913,93 1.738,94 33.344,95 10.965,96 99.041,97 14.109,98 0.789,99 1.647,100 34.542,101 11.01,102 79.644,103 14.064,104 32,105 51,106 0.287,107 0.661,108 0.834,109 0.882,110 0.882,111 0.882,112 3.561,113 0.903,114 -4.06,115 -4.01,116 -3.8,119 40.7,121 1,124 2,125 3,127 1,135 2,142 5,143 1,144 5,146 1,147 1,148 1,158 1,172 3,174 1,175 8,178 2,180 5,183 3,186 1,187 5,190 1,192 5,195 3,198 1,199 5,202 1,204 2,207 5,211 2,212 5,215 3,216 1,217 1,220 7,223 1,224 6,227 2,232 7,236 3,237 6,240 1,242 3,245 3,249 2,250 9,255 3,258 2,262 1,263 4,266 1,268 1,271 2,275 2346,276 22.739,277 22.739,278 22.739,279 22.739,280 22.739,281 20.314,282 32.664,283 13.563,284 23.485,285 18.303,286 18.303,287 18.303,288 18.303,289 18.303,290 14.602,291 46.591,292 6.532,293 19.582,294 4.11,295 1.8,296 0.731,297 0.432,298 0.432,299 0.432,300 4.254,301 1,305 1,306 888,307 4.062,310 86.25,311 299.294,315 161.313,318 1.841,319 42.381,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 75.333,331 418,332 4.58,333 3.499,334 6.591,335 4.113,336 3.146,337 4.514,338 1.058,339 10.562,340 3.041,341 4.22,342 3.312,343 6.107,344 3.774,345 2.846,346 3.872,347 0.916,348 8.973,349 2.637,350 4.044,351 3.241,352 5.948,353 3.655,354 2.723,355 3.528,356 0.86,357 8.314,358 2.529,359 3.721,360 3.017,361 5.369,362 3.436,363 2.483,364 3.007,365 0.86,366 6.999,367 2.357,368 3.566,369 2.691,370 5.354,371 3.272,372 2.314,373 2.875,374 0.4,375 6.816,376 2.203,377 3.455,378 2.643,379 5.056,380 3.144,381 2.218,382 2.66,383 0.172,384 6.034,385 2.034,386 3.322,387 2.437,388 4.945,389 3.061,390 2.109,391 2.502,393 5.602,394 1.976,395 3.215,396 2.125,397 4.644,398 2.828,399 1.869,400 2.235,402 5.126,403 1.78,404 2.978,405 2.037,406 4.415,407 2.476,408 1.549,409 2.187,411 4.261,412 1.431,413 2.82,414 1.932,415 4.041,416 2.319,417 1.414,418 1.948,420 3.523,421 1.217,422 2.665,423 1.549,424 3.871,425 2.222,426 1.315,427 1.687,428 3.096,429 1.19,430 2.517,431 1.509,432 3.425,433 2.005,434 1.094,435 1.342,436 2.489,437 0.991,438 2.185,439 1.358,440 3.265,441 1.956,442 0.989,443 1.17,445 2.115,446 0.944,447 1.679,448 0.938,449 3.09,450 1.543,451 0.618,452 0.618,454 1.372,455 0.566,456 1.618,457 0.832,458 3,459 1.344,460 0.424,461 0.505,463 1.106,464 0.383,465 16,466 0.471,467 0.873,468 0.026,469 43.5,470 1.279,471 20.5,472 0.603,473 23,474 0.676,475 29.588,476 0.87,477 37.4,478 0.634,479 37.102,480 1.091,481 8.869,482 0.261,483 7.516,484 0.221,485 0.146,487 0.338,491 1,493 0.748,494 1.32,495 0.63,496 1.102,497 0.58,498 0.954,499 1.004,500 0.987,501 0.748,502 0.861,503 0.63,504 0.834,505 1.08,506 1.167,507 0.98,508 1.089,509 0.907,510 1.076,511 0.83,512 0.859,513 0.735,514 0.796,515 0.79,516 0.778,517 0.691,518 0.804,519 0.854,520 0.971,521 0.81,522 0.962,523 0.848,524 1.007,525 0.755,526 0.974,527 0.832,528 0.955,529 1.043,530 0.894,531 0.894,532 0.891,533 1.191,534 0.957,535 1.042,536 1.083,537 1.002,538 1.06,539 1.132,540 1.018,541 7.5,542 0.289,543 3.333,544 1.972,545 1.986,546 1.007,547 0.945,548 0.657,549 0.501,550 0.294,551 16064,552 50340,553 2.059,554 42.4,556 20,558 1,559 2,562 2,564 1.767,565 1.925,566 3.565,567 0.235,573 104.576,574 1.772,575 4.082,576 5.152,577 5.45,578 5.45,579 5.45,580 3.067,581 4.735,582 5.051,583 3.759,584 2108.56,585 8.902,586 32537.3,591 347.076,592 1.419,593 5.016,594 0.203,595 0.008,596 0.065,597 0.039,598 0.041,599 0.019,600 0.017,601 0.012,602 0.01,603 0.007,604 0.423,605 0.33,606 0.88,607 1.454,608 181.75,609 -0.062,610 -0.212,611 0.03,612 -0.1,613 -0.048,614 -0.021,615 -0.086,616 0.035,617 0.041,618 0.09,619 0.033,620 0.088,621 -0.033,622 -0.158,623 -0.064,624 -0.109,625 0.01,626 -0.128,627 0.006,628 0.044,629 0.172,630 0.164,631 -0.004,632 0.224,633 0.108,634 0.127,635 -0.015,636 -0.008,637 0.02,638 -0.006,640 -0.049,641 0.031,642 -0.028,643 -0.021,644 -0.007,645 -0.05,646 0.032,647 -0.035,648 0.042,649 -0.056,650 -0.026,651 -0.036,652 -0.148,653 -0.019,654 -0.086,655 -0.033,656 -0.056,657 2.176,658 5.571,659 0.618,660 41.059,661 1.018,662 1.135,663 2.83,664 8.01,665 0.671,666 3.638,667 3.951,668 4.174,669 4.431,670 4.673,671 4.812,672 4.99,673 5.182,674 5.318,675 5.384,676 7.427,677 0.648,678 485.99,679 3.638,680 5.176,681 6.009,682 6.878,683 7.734,684 8.612,685 9.48,686 10.363,687 11.24,688 12.128,689 8.5,692 1,696 1,697 1,699 2,703 2,704 6,705 2,709 6,711 17,724 1,729 1,730 2,731 59,733 19,734 2,735 37,737 62,738 24,739 14,740 7,741 5,742 3,746 4,747 5,748 1,755 2,758 2,761 17,762 7,766 2,771 1,773 2,775 1,779 1,781 25,782 9,783 2,784 10,785 1,790 5,794 0.75,795 3,801 1,806 1,811 1,812 3,816 1,826 1,831 2,836 1,839 1,840 3,844 2,845 1,846 1,848 34,854 4,855 2,856 2,858 1,859 1,869 2,870 5.1,873 1,874 1,875 1,877 17.667,878 11.136,879 7.444,880 3.333,881 3.558,882 1.446,883 0.976,884 7.958,885 11.54,886 3.882,887 4.466,888 5.012,889 5.596,890 6.197,891 6.549,892 6.987,893 7.471,894 7.901,895 8.14,896 1,897 50,898 12.591,900 5.352,901 7.895,902 23.595,904 18.934,905 2.395,906 81.444,910 270.735,911 140.698,912 72.717,913 39.149,914 47.145,915 14.96,917 140.698,918 357.029,919 87.677,920 16.793,921 31.836,922 66.334,923 86.192,924 68.849,925 17.288,926 258.964,927 39.149,928 270.735,929 213.415,930 62.105,931 39.149,933 262.153,934 59.687,935 11,937 63.734,938 97.158,939 91.672,941 285.695,942 119.862,943 179.847,946 270.735,947 48.953,948 94.869,949 36.022,950 134.825,951 270.735,952 134.822,953 179.847,955 0.579,956 0.319,957 0.166,958 0.091,959 23,960 11,961 0.129,962 8,963 1,964 1.095,965 4.437,966 315.404,967 0.095,968 21,969 170.974,974 24.361,975 11.106,976 6.435,977 1.256,978 134.822,979 9.24,980 8.683,984 1.495,986 36.022,987 585.404,988 47.5,993 12.571,995 3.254,997 -0.287,999 60.047,1000 66.971,1001 0.301,1002 0.694,1003 0.876,1004 0.927,1005 0.927,1006 0.927,1007 5.119,1008 1.869,1009 5.989,1010 5.602,1011 4.635,1012 5.153,1013 2.082,1014 6.765,1015 4.508,1016 6.318,1017 1.549,1018 7.526,1019 5.126,1020 4.205,1021 4.987,1022 0.325,1023 7.573,1024 4.009,1025 7.616,1026 1.414,1027 9.158,1028 4.261,1029 6.196,1030 7.342,1031 1.903,1032 10.659,1033 5.967,1034 8.949,1035 1.315,1036 10.847,1037 3.523,1038 6.553,1039 7.999,1040 0.393,1041 12.29,1042 6.257,1043 10.312,1044 1.094,1045 12.572,1046 3.096,1047 8.019,1048 9.858,1049 1.815,1050 14.895,1051 7.696,1052 11.697,1053 0.989,1054 14.323,1055 2.489,1056 8.751,1057 10.923,1058 0.384,1059 16.899,1060 8.37,1061 13.102,1062 0.618,1063 16.093,1064 2.115,1065 10.001,1066 12.572,1067 1.774,1068 19.33,1069 9.594,1070 3.146,1071 0.424,1072 17.879,1073 1.372,1074 10.924,1075 13.85,1076 0.351,1077 21.511,1078 10.468,1079 2.846,1080 10.562,1081 19.677,1082 1.106,1083 12.085,1084 15.407,1085 1.767,1086 23.878,1087 11.602,1088 2.723,1089 8.973,1090 21.485,1091 4.514,1092 13.104,1093 16.792,1094 0.312,1095 26.144,1096 12.582,1097 2.483,1098 8.314,1099 23.302,1100 3.872,1101 14.232,1102 18.31,1103 1.786,1104 28.49,1105 13.682,1106 2.314,1107 6.999,1108 25.127,1109 3.528,1110 15.3,1111 19.751,1112 0.273,1113 30.797,1114 14.717,1115 2.218,1116 6.816,1117 26.958,1118 3.007,1119 16.419,1120 21.254,1121 1.825,1122 33.139,1123 15.809,1124 2.109,1125 6.034,1126 28.794,1127 2.875,1128 17.514,1129 22.723,1130 0.236,1131 35.467,1132 16.874,1133 15557,1134 27786,1135 24.561,1136 39.563,1137 54.995,1138 56.97,1139 55.654,1140 54.671,1141 54.582,1142 69.734,1143 8.534,1144 153.623,1145 50.851,1146 5.517,1147 5.499,1148 6.204,1149 5.231,1150 5.146,1151 7.514,1152 2.117,1153 17.503,1154 5.041,1155 18.08,1156 1.486,1157 1.54,1158 1.504,1159 1.478,1160 1.475,1161 1.885,1162 0.231,1163 4.152,1164 1.374,1165 4.088,1166 4.118,1167 4.079,1168 3.986,1169 8.201,1170 4,1171 3.891,1172 3.913,1173 3.983,1174 3.82,1175 7.43,1176 3.82,1177 3.784,1178 3.824,1179 3.683,1180 3.6,1181 5.089,1182 3.61,1183 3.745,1184 3.801,1185 3.645,1186 3.577,1187 4.858,1188 3.585,1189 3.525,1190 3.591,1191 3.449,1192 3.288,1193 4.747,1194 3.316,1195 3.362,1196 3.415,1197 3.341,1198 3.168,1199 4.521,1200 3.183,1201 3.121,1202 3.189,1203 3.247,1204 2.928,1205 4.418,1206 2.946,1207 2.999,1208 3.067,1209 3.013,1210 2.804,1211 4.364,1212 2.791,1213 0.124,1214 0.095,1215 0.178,1216 0.111,1217 0.085,1218 4.58,1219 0.122,1220 3.499,1221 0.029,1222 6.591,1223 0.285,1224 4.113,1225 0.082,1226 3.146,1227 4.514,1228 1.058,1229 10.562,1230 3.041,1231 2.013,1232 1.989,1233 2.063,1234 2.132,1235 1.214,1236 2.113,1237 1.856,1238 1.837,1239 1.928,1240 1.952,1241 1.154,1242 1.951,1243 1.699,1244 1.646,1245 1.902,1246 1.902,1247 1.047,1248 1.907,1249 1.565,1250 1.516,1251 1.803,1252 1.761,1253 1.033,1254 1.771,1255 1.435,1256 1.364,1257 1.665,1258 1.694,1259 0.793,1260 1.682,1261 1.319,1262 1.266,1263 1.577,1264 1.609,1265 0.699,1266 1.597,1267 1.263,1268 1.208,1269 1.44,1270 1.487,1271 0.469,1272 1.488,1273 1.044,1274 0.986,1275 1.417,1276 1.289,1277 0.46,1278 1.308,1279 4.317,1281 5.631,1282 2.398,1283 7.122,1284 4.443,1285 8.705,1286 6.26,1287 10.342,1289 3.841,1290 5.912,1291 13.552,1295 2.506,1296 6.034,1297 11.549,1299 -0.113,1300 1.95,1305 38.257,1306 104.576,1307 240.863,1308 303.957,1309 321.566,1310 321.566,1311 321.566,1312 72.926,1313 7.981,1314 88.61,1315 88.61,1316 23,1317 12.661,1318 4.322,1319 3.524,1320 56.504,1321 146,1322 166,1323 0.183,1324 237.63,1325 417.87,1326 571.578,1327 32653,1328 3.4,1329 24.079,1330 0.708,1331 0.577,1332 23.709,1333 19.603,1334 16.385,1335 0.443,1336 0.301,1337 10.578,1338 15.275,1339 10.289,1340 8.518,1341 16.263,1342 11.141,1343 15.028,1344 0.295,1345 0.167,1346 14.94,1347 8.506,1348 11.845,1349 0.185,1350 0.084,1351 11.446,1352 5.388,1353 9.611,1354 0.116,1355 0.043,1356 9.78,1357 3.6,1358 7.652,1359 0.072,1360 0.021,1361 7.561,1362 2.187,1363 0.285,1364 107.252,1365 0.202,1366 31.382,1367 0.507,1368 176,1369 623.122,1370 213.726,1371 596.032,1372 786.68,1373 556,1374 203,1375 538.678,1376 238.133,1377 548.304,1378 799.81,1379 512,1380 5}
{0 CHEMBL119385,1 2.02,2 10.857,3 5.899,4 34.795,5 108.721,6 11.791,7 0.387,8 3.774,9 3.838,10 3.754,11 3.491,12 5.111,13 3.475,14 4.233,15 4.313,16 4.208,17 3.877,18 5.662,19 3.854,20 4.482,21 4.592,22 4.384,23 4.012,24 5.898,25 3.974,26 4.438,27 4.536,28 4.398,29 3.951,30 6.022,31 3.907,32 4.407,33 4.505,34 4.383,35 3.838,36 6.04,37 3.841,38 4.352,39 4.493,40 4.1,41 3.765,42 5.776,43 3.725,44 4.206,45 4.376,46 3.773,47 3.576,48 5.546,49 3.494,50 3.952,51 4.131,52 3.814,53 3.378,54 5.329,55 3.275,56 0.206,57 0.631,58 0.365,59 2.485,60 21.925,61 2.257,62 0.385,63 1.026,64 1.321,65 4.245,66 37.279,67 3.606,68 0.661,69 1.354,70 13.947,71 7.433,72 83.324,73 5.947,74 0.817,75 1.307,76 16.405,77 7.013,78 110.113,79 5.367,80 0.753,81 1.119,82 12.655,83 6.115,84 80.618,85 4.523,86 0.674,87 1.044,88 9.362,89 5.601,90 70.44,91 4.465,92 0.581,93 0.955,94 14.148,95 5.842,96 62.946,97 5.374,98 0.47,99 0.837,100 15.059,101 5.159,102 56.905,103 4.94,104 26,105 45,106 0.356,107 0.661,108 0.797,109 0.88,110 0.88,111 0.88,112 3.375,113 0.917,114 -6.72,115 -6.54,116 -6.06,119 51.4,135 2,136 1,138 1,142 6,143 1,144 5,158 3,166 1,172 5,174 2,175 6,183 11,186 1,187 7,195 13,198 1,199 4,207 6,211 1,212 18,220 8,224 9,232 8,237 3,245 2,250 2,258 7,263 1,271 3,275 1112,276 18.654,277 18.654,278 18.654,279 18.654,280 18.654,281 16.187,282 19.118,283 10.719,284 19.305,285 15.266,286 15.266,287 15.266,288 15.266,289 15.266,290 11.457,291 21.577,292 5.067,293 16.502,294 3.189,295 1.461,296 0.689,297 0.216,298 0.216,299 0.216,300 4.069,301 2,305 1,306 659,307 2.55,311 301.744,315 114.555,318 1.745,319 45.737,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 62.167,331 304,332 4.659,333 4.62,334 7.045,335 4.27,336 3.3,337 4.28,338 3.37,339 12.073,340 3.195,341 4.265,342 3.709,343 6.252,344 3.817,345 2.906,346 3.894,347 1.208,348 9.257,349 2.633,350 4.146,351 3.398,352 6.088,353 3.716,354 2.786,355 3.648,356 0.618,357 8.827,358 2.561,359 3.818,360 3.258,361 5.582,362 3.343,363 2.406,364 3.147,366 7.21,367 2.237,368 3.456,369 2.94,370 5.197,371 3.061,372 2.136,373 2.745,375 6.279,376 1.929,377 3.318,378 2.8,379 4.913,380 2.859,381 1.934,382 2.481,384 5.588,385 1.763,386 3.232,387 2.623,388 4.841,389 2.707,390 1.879,391 2.474,393 5.104,394 1.664,395 3.15,396 2.376,397 4.646,398 2.703,399 1.743,400 2.222,402 4.741,403 1.441,404 2.839,405 2.108,406 4.127,407 2.363,408 1.415,409 1.945,411 3.648,412 1.347,413 2.817,414 1.524,415 4.057,416 2.34,417 1.351,418 1.916,420 3.312,421 1.309,422 2.536,423 1.309,424 3.542,425 1.813,426 0.871,427 1.291,428 2.117,429 0.8,430 1.915,431 1.178,432 3.085,433 1.29,434 0.398,435 0.508,436 0.971,437 0.338,438 1.597,439 1.113,440 2.973,441 1.186,442 0.288,443 0.363,445 0.691,446 0.232,447 1.272,448 0.832,449 2.564,450 0.751,451 -0.151,452 -0.204,454 -0.374,455 -0.125,456 1,457 0.445,458 2.407,459 0.473,460 -0.347,461 -0.445,463 -0.757,464 -0.229,465 13.867,466 0.495,467 0.822,468 0.029,469 38,470 1.357,471 20,472 0.714,473 18,474 0.643,475 22.586,476 0.807,477 28.133,478 0.76,479 29.769,480 1.063,481 7.754,482 0.277,483 5.681,484 0.203,485 0.168,487 0.389,491 2,493 0.545,494 0.806,495 0.518,496 0.692,497 0.533,498 0.676,499 0.664,500 0.945,501 0.658,502 0.829,503 0.596,504 0.805,505 1.041,506 1.056,507 1.087,508 1.075,509 0.981,510 0.926,511 0.972,512 0.954,513 1.174,514 1.072,515 0.92,516 1.004,517 0.753,518 0.916,519 1.028,520 1.166,521 0.786,522 1.015,523 0.972,524 0.769,525 1.043,526 0.838,527 0.908,528 1.041,529 0.932,530 0.837,531 1.172,532 1.059,533 0.85,534 1.233,535 0.817,536 0.849,537 0.508,538 0.761,539 0.963,540 0.901,541 6,542 0.182,543 3.556,544 2.563,545 2.524,546 0.826,547 0.764,548 0.443,549 0.222,550 0.269,551 9437,552 40448,553 2.072,554 24.3,556 8,558 1,564 1.711,565 1.909,566 3.35,567 -0.671,573 74.755,574 2.02,575 3.749,576 4.52,577 4.993,578 4.993,579 4.993,580 2.901,581 4.138,582 4.778,583 3.537,584 1337.15,585 8.312,586 17189.3,591 192.75,592 1.497,593 4.723,594 0.194,595 0.008,596 0.079,597 0.052,598 0.055,599 0.018,600 0.021,601 0.017,602 0.01,603 0.013,604 0.468,605 0.33,606 0.88,607 0.616,608 139.301,609 -0.003,610 -0.001,611 0.004,612 0.02,613 -0.043,614 0.007,615 -0.014,616 -0.083,617 0.004,618 -0.022,619 0.011,620 -0.056,621 -0.159,622 -0.085,623 -0.098,624 -0.05,625 -0.119,626 0.012,627 -0.02,628 -0.013,629 -0.099,630 -0.058,631 0.022,632 -0.098,633 0.132,634 -0.1,635 -0.011,636 -0.258,637 0.068,638 -0.157,639 -0.141,640 0.038,641 -0.11,642 0.038,643 -0.133,644 -0.074,645 -0.089,646 0.025,647 -0.137,648 -0.04,649 -0.065,650 -0.072,651 0.13,652 0.191,653 0.483,654 0.398,656 0.336,657 2.353,658 5.899,659 0.786,660 25.98,661 1.049,662 1.115,663 5.495,664 30.19,665 0.798,666 3.466,667 3.829,668 4.127,669 4.431,670 4.7,671 4.727,672 4.844,673 5.037,674 5.17,675 5.215,676 6.335,677 0.784,678 436.28,679 3.466,680 5.03,681 5.9,682 6.801,683 7.689,684 8.594,685 9.489,686 10.395,687 11.295,688 12.202,689 8.1,692 1,698 2,704 6,709 6,711 12,730 4,731 37,733 17,734 2,735 31,737 40,738 19,739 12,740 6,741 6,742 7,746 4,747 5,748 2,761 19,766 5,771 1,773 3,774 2,775 4,779 2,781 9,782 6,784 9,785 3,790 3,791 1,794 0.75,795 1,812 4,816 1,831 3,832 1,840 3,841 1,842 1,845 2,846 2,848 28,857 1,859 1,869 4,870 2.7,873 1,877 14.667,878 7.005,879 6.028,880 2.077,881 3.464,882 1.445,883 1.025,884 5.174,885 11.246,886 3.761,887 4.382,888 4.977,889 5.55,890 6.112,891 6.353,892 6.709,893 7.156,894 7.537,895 7.841,896 1,897 49,898 10.378,900 4.657,901 8.204,902 18.782,904 15.489,905 2.704,906 75.722,910 105.94,911 158.397,912 36.45,913 78.297,914 25.145,915 29.92,916 32.22,917 126.177,918 209.382,919 66.371,922 75.81,923 54.118,924 69.615,925 29.92,926 126.388,927 78.297,928 105.94,929 162.627,930 55.065,931 110.517,933 135.86,934 25.145,937 36.45,938 104.468,939 100.007,940 32.22,941 135.86,942 61.595,943 236.694,946 105.94,947 73.968,948 87.43,950 166.811,951 105.94,952 91.515,953 236.694,955 0.594,956 0.354,957 0.198,958 0.112,959 23,960 11,961 0.075,962 3,963 1,964 1.091,965 3.842,966 253.772,967 0.091,968 22,969 128.606,970 1,974 19.037,975 7.61,976 3.701,978 91.515,979 8.234,984 -0.132,987 434.149,988 42,993 12.431,995 4.53,996 8.19,997 0.593,999 38.8,1000 41.268,1001 0.388,1002 0.72,1003 0.868,1004 0.958,1005 0.958,1006 0.958,1007 5.024,1008 1.743,1009 5.911,1010 5.104,1011 4.511,1012 5.069,1013 3.31,1014 6.765,1015 4.36,1016 6.262,1017 1.415,1018 7.499,1019 4.741,1020 4.205,1021 4.913,1023 7.756,1024 3.93,1025 7.59,1026 1.351,1027 9.187,1028 3.648,1029 6.146,1030 7.27,1031 5.574,1032 10.894,1033 5.884,1034 8.95,1035 0.871,1036 10.934,1037 3.312,1038 6.621,1039 7.89,1041 12.737,1042 6.261,1043 10.34,1044 0.398,1045 12.719,1046 2.117,1047 8.072,1048 9.739,1049 7.985,1050 15.422,1051 7.719,1052 11.752,1053 0.288,1054 14.532,1055 0.971,1056 8.916,1057 10.745,1059 17.636,1060 8.495,1061 13.182,1062 -0.151,1063 16.367,1064 0.691,1065 10.179,1066 12.37,1067 10.413,1068 20.173,1069 9.752,1070 3.3,1071 -0.347,1072 18.22,1073 -0.374,1074 11.196,1075 13.577,1077 22.546,1078 10.723,1079 2.906,1080 12.073,1081 20.087,1082 -0.757,1083 12.39,1084 15.097,1085 12.843,1086 25.039,1087 11.902,1088 2.786,1089 9.257,1090 21.966,1091 4.28,1092 13.488,1093 16.409,1095 27.478,1096 12.968,1097 2.406,1098 8.827,1099 23.855,1100 3.894,1101 14.659,1102 17.88,1103 15.272,1104 29.962,1105 14.121,1106 2.136,1107 7.21,1108 25.753,1109 3.648,1110 15.797,1111 19.248,1113 32.428,1114 15.232,1115 1.934,1116 6.279,1117 27.659,1118 3.147,1119 16.965,1120 20.697,1121 17.702,1122 34.912,1123 16.38,1124 1.879,1125 5.588,1126 29.57,1127 2.745,1128 18.121,1129 22.096,1131 37.391,1132 17.513,1133 9030,1134 18837,1135 20.403,1136 29.517,1137 48.27,1138 51.825,1139 49.211,1140 47.199,1141 46.83,1142 61.825,1143 10.391,1144 139.634,1145 42.898,1146 5.486,1147 6.62,1148 6.59,1149 5.404,1150 5.3,1151 7.28,1152 6.74,1153 19.503,1154 5.195,1155 15.262,1156 1.557,1157 1.672,1158 1.587,1159 1.523,1160 1.511,1161 1.994,1162 0.335,1163 4.504,1164 1.384,1165 4.021,1166 4.042,1167 4.149,1168 3.958,1169 8.211,1170 3.954,1171 3.897,1172 3.915,1173 4.051,1174 3.851,1175 8.191,1176 3.834,1177 3.771,1178 3.805,1179 3.802,1180 3.66,1181 7.431,1182 3.668,1183 3.419,1184 3.448,1185 3.582,1186 3.289,1187 5.023,1188 3.286,1189 3.062,1190 3.11,1191 3.535,1192 2.95,1193 4.836,1194 2.93,1195 2.934,1196 2.968,1197 3.16,1198 2.849,1199 4.632,1200 2.815,1201 2.901,1202 2.934,1203 3.066,1204 2.824,1205 4.496,1206 2.803,1207 2.885,1208 2.918,1209 2.916,1210 2.733,1211 4.358,1212 2.733,1213 0.15,1214 0.149,1215 0.227,1216 0.138,1217 0.106,1218 4.659,1219 0.138,1220 4.62,1221 0.109,1222 7.045,1223 0.389,1224 4.27,1225 0.103,1226 3.3,1227 4.28,1228 3.37,1229 12.073,1230 3.195,1231 1.952,1232 1.939,1233 1.985,1234 2.047,1235 1.152,1236 2.035,1237 1.86,1238 1.845,1239 1.917,1240 1.944,1241 1.038,1242 1.945,1243 1.722,1244 1.69,1245 1.807,1246 1.849,1247 0.883,1248 1.848,1249 1.337,1250 1.31,1251 1.439,1252 1.522,1253 0.467,1254 1.504,1255 1.004,1256 0.959,1257 1.121,1258 1.178,1259 0.188,1260 1.171,1261 0.865,1262 0.827,1263 1.114,1264 1.068,1265 0.16,1266 1.08,1267 0.849,1268 0.825,1269 1,1270 0.989,1271 0.105,1272 1.004,1273 0.835,1274 0.802,1275 0.869,1276 0.962,1277 0.073,1278 0.979,1279 4.143,1281 5.493,1283 7.047,1285 8.699,1287 10.401,1290 12.496,1291 26.974,1298 1.018,1300 1.389,1305 29.022,1306 74.755,1307 138.711,1308 167.24,1309 184.75,1310 184.75,1311 184.75,1312 65.282,1313 7.782,1314 47.26,1315 72.56,1316 24,1317 12.72,1318 4.17,1319 3.585,1320 42.438,1321 108,1322 114,1323 0.198,1324 185.822,1325 339.84,1326 445.166,1327 25663,1328 10.8,1329 19.836,1330 0.708,1331 0.578,1332 19.449,1333 16.195,1334 13.436,1335 0.433,1336 0.306,1337 7.912,1338 11.887,1339 7.662,1340 6.261,1341 13.617,1342 9.471,1343 12.589,1344 0.28,1345 0.168,1346 12.874,1347 7.576,1348 10.617,1349 0.174,1350 0.09,1351 11.159,1352 5.52,1353 9.166,1354 0.11,1355 0.049,1356 10.128,1357 4.053,1358 7.701,1359 0.071,1360 0.026,1361 8.564,1362 2.785,1363 0.308,1364 94.793,1365 0.221,1366 26.455,1367 0.554,1368 152,1369 622.16,1370 225.339,1371 631.651,1372 821.71,1373 584,1374 182,1375 531.755,1376 244.079,1377 560.053,1378 827.23,1379 527,1380 5}
{0 CHEMBL1204014,1 1.616,2 18.186,3 2.372,4 5.625,5 162.573,6 7.347,7 0.375,8 4.496,9 4.625,10 4.057,11 3.937,12 5.54,13 3.943,14 5.081,15 5.277,16 4.41,17 4.337,18 6.12,19 4.319,20 5.318,21 5.538,22 4.458,23 4.513,24 6.298,25 4.455,26 5.375,27 5.625,28 4.409,29 4.483,30 6.401,31 4.41,32 5.302,33 5.547,34 4.414,35 4.421,36 6.382,37 4.373,38 5.176,39 5.378,40 4.388,41 4.446,42 6.204,43 4.392,44 5.281,45 5.498,46 4.36,47 4.522,48 6.237,49 4.433,50 5.375,51 5.618,52 4.301,53 4.537,54 6.355,55 4.399,56 0.078,57 1.264,58 17.188,59 6.379,60 8.71,61 9.162,62 0.808,63 1.983,64 35.36,65 10.547,66 47.459,67 15.362,68 0.753,69 2.366,70 45.802,71 13.764,72 54.702,73 20.825,74 0.739,75 2.373,76 50.044,77 14.315,78 85.579,79 22.323,80 0.997,81 2.201,82 47.203,83 12.456,84 100.911,85 19.609,86 0.586,87 2.169,88 38.222,89 12.289,90 52.039,91 18.149,92 0.705,93 2.287,94 43.327,95 14.577,96 55.961,97 21.502,98 0.767,99 2.3,100 49.033,101 18.436,102 97.724,103 26.58,104 10,105 66,106 0.245,107 0.52,108 0.644,109 0.712,110 0.727,111 0.738,112 3.787,113 0.918,114 -3.69,115 -3.66,116 -3.48,119 37.5,124 1,125 12,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 4,183 8,186 3,187 8,192 4,195 4,198 3,199 15,204 6,211 5,212 11,217 4,224 10,227 4,229 2,232 4,236 4,237 4,245 8,249 4,250 4,253 7,258 8,263 4,266 1,271 4,275 4119,276 29.532,277 29.532,278 29.532,279 29.532,280 29.532,281 27.279,282 43.196,283 17.626,284 30.543,285 23.741,286 23.741,287 23.741,288 23.741,289 23.741,290 20.138,291 63.966,292 8.468,293 25.314,294 4.706,295 2.899,296 2.084,297 1.634,298 1.534,299 1.459,300 4.503,306 1735,307 3.674,311 986.655,318 2.917,319 44.1,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 94.5,331 782,332 4.394,333 3.695,334 6.393,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.928,341 4.267,342 3.562,343 6.383,344 3.965,345 2.984,346 3.802,347 1.2,348 9.676,349 2.86,350 4.068,351 3.246,352 6.024,353 3.716,354 2.757,355 3.597,356 0.86,357 8.666,358 2.62,359 3.9,360 3.013,361 6.016,362 3.591,363 2.684,364 3.219,365 0.86,366 8.629,367 2.51,368 3.795,369 2.811,370 5.577,371 3.586,372 2.628,373 3.034,374 0.8,375 7.647,376 2.432,377 3.716,378 2.773,379 5.381,380 3.407,381 2.456,382 2.972,383 0.8,384 7.02,385 2.333,386 3.485,387 2.571,388 5.223,389 3.27,390 2.32,391 2.638,392 0.8,393 6.492,394 2.196,395 3.334,396 2.451,397 4.917,398 2.978,399 2.019,400 2.451,401 0.293,402 5.625,403 1.933,404 3.093,405 2.298,406 4.721,407 2.831,408 1.911,409 2.177,410 0.247,411 5.185,412 1.752,413 3.029,414 2.25,415 4.593,416 2.727,417 1.759,418 2.103,420 4.826,421 1.685,422 2.838,423 2.157,424 4.283,425 2.577,426 1.697,427 1.879,428 4.065,429 1.488,430 2.732,431 1.863,432 4.185,433 2.287,434 1.367,435 1.807,436 3.669,437 1.251,438 2.5,439 1.715,440 3.676,441 2,442 1.087,443 1.5,445 2.669,446 1,447 2.5,448 1.288,449 3.508,450 2,451 1,452 1.5,454 2.509,455 1,456 2.349,457 1.274,458 3.472,459 1.967,460 1,461 1.214,463 2.275,464 0.965,465 19.933,466 0.464,467 0.917,468 0.021,469 54,470 1.256,471 23,472 0.535,473 31,474 0.721,475 39.917,476 0.928,477 47.867,478 0.598,479 47.512,480 1.105,481 10.825,482 0.252,483 10.188,484 0.237,485 0.059,487 0.306,493 0.846,494 1.727,495 0.779,496 1.314,497 0.583,498 1.069,499 1.082,500 0.937,501 0.96,502 0.867,503 0.619,504 0.884,505 1.064,506 1.165,507 1.03,508 1.037,509 0.878,510 1.025,511 0.976,512 1.108,513 0.966,514 1.021,515 1.242,516 0.986,517 1.126,518 0.927,519 0.926,520 0.764,521 1.51,522 0.791,523 0.975,524 1.134,525 1.087,526 1.104,527 0.984,528 1.101,529 0.829,530 1.066,531 1.112,532 1.14,533 0.849,534 1.165,535 0.399,536 1.032,537 0.956,538 1.307,539 0.392,540 1.258,541 8,542 0.227,543 4.444,544 2.188,545 1.862,546 1.792,547 0.929,548 0.408,549 0.384,550 0.396,551 38940,552 96633,553 2.154,554 46.3,556 35,559 2,564 1.812,565 2.064,566 4.072,567 0.184,573 129.268,574 1.616,575 3.423,576 4.237,577 4.687,578 4.787,579 4.862,580 3.508,581 4.589,582 5.397,583 4.321,584 3901.5,585 9.52,586 76708.2,591 505.754,592 1.211,593 5.379,594 0.167,595 0.006,596 0.067,597 0.032,598 0.03,599 0.028,600 0.015,601 0.007,602 0.007,603 0.009,604 0.366,605 0.33,606 0.63,607 0.394,608 253.969,609 -0.05,610 -0.43,611 0.08,612 -0.187,613 -0.015,614 -0.053,615 0.023,616 0.223,617 0.003,618 0.115,619 0.074,620 0.057,621 -0.102,622 -0.092,623 -0.069,624 -0.033,625 -0.03,626 -0.044,627 -0.067,628 -0.096,629 0.015,630 -0.051,631 -0.044,632 -0.007,633 -0.043,634 0.091,635 0.079,636 0.179,637 -0.086,638 0.16,639 -0.106,640 0.017,641 -0.159,642 -0.078,643 -0.087,644 -0.117,645 -0.031,646 0.024,647 -0.184,648 -0.094,649 -0.079,650 -0.152,651 0.283,652 -0.058,653 -0.022,654 -0.229,655 0.261,656 -0.195,657 2.046,658 5.79,659 0.837,660 65.255,661 1.007,662 1.139,663 2.462,664 6.06,665 0.644,666 3.892,667 4.205,668 4.466,669 4.71,670 4.977,671 5.037,672 5.22,673 5.342,674 5.451,675 5.58,676 10.556,677 0.618,678 587.76,679 3.892,680 5.434,681 6.279,682 7.144,683 8.003,684 8.873,685 9.738,686 10.611,687 11.479,688 12.355,689 11.3,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 80,733 20,734 2,735 48,737 85,738 30,739 15,740 4,741 8,742 1,746 6,747 6,751 1,761 17,762 13,766 2,771 2,775 2,781 37,782 13,783 2,784 13,790 9,794 1,795 4,812 6,836 1,839 2,840 6,844 1,848 43,854 12,855 2,856 2,859 4,870 5,873 2,874 2,877 20.833,878 14.483,879 9.389,880 4.853,881 3.46,882 1.39,883 0.989,884 9.535,885 12.332,886 4.094,887 4.61,888 5.119,889 5.644,890 6.188,891 6.442,892 6.861,893 7.197,894 7.475,895 7.828,896 0.917,897 68,898 15.984,900 6.816,901 7.686,902 30.784,904 25.318,905 2.186,906 94,910 411.989,911 146.413,912 98.875,914 72.29,917 146.413,918 484.278,919 98.875,920 8.396,921 74.361,922 75.81,923 127.351,924 23.586,925 8.074,926 411.989,928 411.989,929 245.288,930 72.29,933 414.316,934 50.29,935 22,937 81.283,938 111.32,939 50.357,941 411.989,942 171.165,943 146.413,946 411.989,947 62.206,948 96.704,949 36.022,950 122.646,951 411.989,952 171.165,953 146.413,955 0.579,956 0.333,957 0.178,958 0.101,959 31,960 13,961 0.071,962 6,964 1,965 5.4,966 433.003,968 36,969 197.329,974 29.573,975 13.864,976 7.539,978 171.165,979 14.381,980 14.34,984 4.482,986 36.022,987 729.566,988 59,993 25.497,997 -0.369,999 80.596,1000 91.135,1001 0.256,1002 0.541,1003 0.67,1004 0.741,1005 0.757,1006 0.769,1007 5.345,1008 2.019,1009 6.244,1010 6.492,1011 4.89,1012 5.298,1013 2.675,1014 7.017,1015 4.774,1016 6.502,1017 1.911,1018 7.776,1019 5.625,1020 4.369,1021 4.966,1022 1.577,1023 7.808,1024 4.208,1025 7.78,1026 1.759,1027 9.405,1028 5.185,1029 6.45,1030 7.347,1031 2.906,1032 10.892,1033 6.225,1034 9.087,1035 1.697,1036 11.09,1037 4.826,1038 6.746,1039 7.826,1040 2.49,1041 12.505,1042 6.482,1043 10.427,1044 1.367,1045 12.814,1046 4.065,1047 8.269,1048 9.694,1049 3.489,1050 15.08,1051 7.944,1052 11.788,1053 1.087,1054 14.562,1055 3.669,1056 8.953,1057 10.558,1058 3.482,1059 17.041,1060 8.59,1061 13.166,1062 1,1063 16.329,1064 2.669,1065 10.231,1066 12.197,1067 4.274,1068 19.426,1069 9.813,1070 3.07,1071 1,1072 18.11,1073 2.509,1074 11.112,1075 13.27,1076 4.502,1077 21.548,1078 10.654,1079 2.984,1080 9.93,1081 19.901,1082 2.275,1083 12.278,1084 14.791,1085 5.169,1086 23.859,1087 11.771,1088 2.757,1089 9.676,1090 21.701,1091 4.05,1092 13.261,1093 15.984,1094 5.524,1095 26.056,1096 12.712,1097 2.684,1098 8.666,1099 23.507,1100 3.802,1101 14.379,1102 17.441,1103 6.119,1104 28.339,1105 13.783,1106 2.628,1107 8.629,1108 25.318,1109 3.597,1110 15.414,1111 18.707,1112 6.542,1113 30.573,1114 14.776,1115 2.456,1116 7.647,1117 27.134,1118 3.219,1119 16.514,1120 20.127,1121 7.097,1122 32.847,1123 15.831,1124 2.32,1125 7.02,1126 28.954,1127 3.034,1128 17.577,1129 21.438,1130 7.557,1131 35.101,1132 16.851,1133 35708,1134 56490,1135 32.997,1136 51.529,1137 71.968,1138 73.931,1139 72.62,1140 71.521,1141 71.499,1142 86.771,1143 15.032,1144 200.515,1145 67.355,1146 5.394,1147 5.695,1148 6.195,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.68,1154 4.928,1155 16.441,1156 1.499,1157 1.54,1158 1.513,1159 1.49,1160 1.49,1161 1.808,1162 0.313,1163 4.177,1164 1.403,1165 4.026,1166 4.072,1167 3.982,1168 3.908,1169 7.432,1170 3.917,1171 3.944,1172 3.985,1173 3.896,1174 3.849,1175 7.427,1176 3.853,1177 3.838,1178 3.89,1179 3.769,1180 3.641,1181 5.077,1182 3.668,1183 3.787,1184 3.85,1185 3.681,1186 3.595,1187 4.734,1188 3.608,1189 3.744,1190 3.803,1191 3.625,1192 3.516,1193 4.692,1194 3.533,1195 3.559,1196 3.612,1197 3.483,1198 3.321,1199 4.616,1200 3.355,1201 3.425,1202 3.47,1203 3.366,1204 3.162,1205 4.589,1206 3.208,1207 3.266,1208 3.337,1209 3.175,1210 2.993,1211 4.363,1212 3.029,1213 0.092,1214 0.077,1215 0.133,1216 0.083,1217 0.064,1218 4.394,1219 0.084,1220 3.695,1221 0.035,1222 6.393,1223 0.207,1224 3.994,1225 0.061,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.928,1231 1.936,1232 1.906,1233 2.033,1234 2.082,1235 1.287,1236 2.061,1237 1.913,1238 1.885,1239 2.015,1240 2.054,1241 1.208,1242 2.044,1243 1.758,1244 1.7,1245 1.951,1246 1.976,1247 1.187,1248 1.97,1249 1.747,1250 1.676,1251 1.929,1252 1.935,1253 1.102,1254 1.942,1255 1.679,1256 1.619,1257 1.903,1258 1.933,1259 1.081,1260 1.926,1261 1.446,1262 1.392,1263 1.556,1264 1.709,1265 0.825,1266 1.668,1267 1.293,1268 1.245,1269 1.534,1270 1.584,1271 0.825,1272 1.554,1273 1.179,1274 1.102,1275 1.513,1276 1.48,1277 0.825,1278 1.474,1279 4.575,1281 5.889,1283 7.398,1285 8.987,1287 10.617,1289 2.057,1295 8.591,1296 5.691,1297 11.019,1300 8.31,1305 49.427,1306 129.268,1307 273.863,1308 338.999,1309 374.999,1310 382.999,1311 388.999,1312 75.038,1313 8.872,1314 128.29,1315 128.29,1316 36,1317 12.895,1318 4.392,1319 3.585,1320 64.301,1321 279,1322 293,1323 0.11,1324 299.113,1325 525.82,1326 721.595,1327 115368,1329 29.597,1330 0.688,1331 0.567,1332 29.597,1333 24.368,1334 21.013,1335 0.438,1336 0.306,1337 14.388,1338 19.877,1339 14.148,1340 11.584,1341 21.013,1342 14.695,1343 18.801,1344 0.285,1345 0.163,1346 18.801,1347 10.787,1348 15.918,1349 0.185,1350 0.09,1351 15.918,1352 7.781,1353 13.097,1354 0.119,1355 0.047,1356 13.097,1357 5.177,1358 10.981,1359 0.076,1360 0.025,1361 10.981,1362 3.627,1363 0.181,1364 133.697,1365 0.174,1366 39.02,1367 0.28,1368 228,1369 693.124,1370 258.001,1371 653.025,1372 892.53,1373 616,1374 266,1375 650.714,1376 296.895,1377 652.164,1378 961.21,1379 613,1380 9.301}
{0 CHEMBL1204015,1 1.603,2 18.233,3 2.553,4 6.518,5 164.542,6 7.192,7 0.383,8 4.506,9 4.639,10 4.042,11 3.933,12 5.563,13 3.934,14 5.079,15 5.285,16 4.38,17 4.314,18 6.118,19 4.293,20 5.288,21 5.501,22 4.434,23 4.491,24 6.295,25 4.431,26 5.392,27 5.65,28 4.407,29 4.477,30 6.41,31 4.402,32 5.318,33 5.564,34 4.43,35 4.443,36 6.391,37 4.394,38 5.244,39 5.451,40 4.404,41 4.491,42 6.277,43 4.426,44 5.364,45 5.601,46 4.376,47 4.555,48 6.311,49 4.459,50 5.394,51 5.632,52 4.32,53 4.572,54 6.384,55 4.432,56 0.065,57 1.267,58 18.056,59 6.445,60 9.928,61 9.532,62 0.826,63 1.935,64 36.339,65 10.419,66 49.293,67 15.582,68 0.669,69 2.294,70 44.569,71 13.47,72 54.799,73 20.615,74 0.753,75 2.363,76 51.684,77 14.052,78 91.327,79 22.674,80 0.98,81 2.247,82 48.041,83 12.202,84 95.633,85 19.9,86 0.578,87 2.265,88 41.816,89 13.354,90 57.315,91 20.08,92 0.809,93 2.364,94 48.983,95 15.676,96 72.026,97 23.665,98 0.74,99 2.351,100 49.839,101 18.885,102 98.706,103 27.206,104 31,105 64,106 0.243,107 0.519,108 0.654,109 0.719,110 0.734,111 0.745,112 3.787,113 0.923,114 -3.69,115 -3.66,116 -3.48,119 36.6,124 3,125 10,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 4,183 8,186 3,187 8,192 4,195 4,198 3,199 15,204 6,211 5,212 11,217 4,224 10,227 4,229 2,232 4,236 4,237 4,245 8,249 4,250 4,253 7,258 8,263 4,266 1,271 4,275 4197,276 29.084,277 29.084,278 29.084,279 29.084,280 29.084,281 26.831,282 42.078,283 17.434,284 30.094,285 23.231,286 23.231,287 23.231,288 23.231,289 23.231,290 19.621,291 61.466,292 8.371,293 24.783,294 4.754,295 2.935,296 2.043,297 1.613,298 1.515,299 1.442,300 4.49,306 1696,307 4.528,311 825.086,318 2.961,319 43.186,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 94.5,331 784,332 4.394,333 3.678,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.909,341 4.254,342 3.562,343 6.332,344 3.935,345 2.947,346 3.799,347 1.2,348 9.392,349 2.86,350 4.068,351 3.246,352 6.024,353 3.714,354 2.755,355 3.597,356 0.86,357 8.666,358 2.619,359 3.889,360 3.013,361 6.016,362 3.591,363 2.684,364 3.209,365 0.86,366 8.629,367 2.498,368 3.795,369 2.811,370 5.57,371 3.572,372 2.612,373 3.03,374 0.8,375 7.628,376 2.432,377 3.704,378 2.615,379 5.343,380 3.358,381 2.399,382 2.972,383 0.8,384 6.945,385 2.299,386 3.409,387 2.561,388 5.048,389 3.159,390 2.228,391 2.605,392 0.8,393 5.846,394 2.073,395 3.248,396 2.451,397 4.724,398 2.976,399 2.019,400 2.319,401 0.293,402 5.213,403 1.926,404 3.092,405 2.298,406 4.629,407 2.83,408 1.91,409 2.172,410 0.247,411 5,412 1.751,413 3.029,414 2.25,415 4.571,416 2.724,417 1.754,418 2.094,420 4.761,421 1.683,422 2.838,423 2.135,424 4.283,425 2.577,426 1.697,427 1.879,428 4.065,429 1.488,430 2.732,431 1.86,432 4.185,433 2.287,434 1.367,435 1.807,436 3.668,437 1.25,438 2.5,439 1.715,440 3.571,441 2,442 1.087,443 1.5,445 2.669,446 1,447 2.5,448 1.288,449 3.508,450 2,451 1,452 1.5,454 2.509,455 1,456 2.326,457 1.274,458 3.472,459 1.966,460 1,461 1.213,463 2.275,464 0.95,465 19.933,466 0.464,467 0.993,468 0.023,469 53.5,470 1.244,471 23,472 0.535,473 30.5,474 0.709,475 40.293,476 0.937,477 48.467,478 0.591,479 48.57,480 1.13,481 10.908,482 0.254,483 9.943,484 0.231,485 0.109,487 0.306,493 0.852,494 1.775,495 0.807,496 1.359,497 0.608,498 1.109,499 1.108,500 0.863,501 0.944,502 0.803,503 0.63,504 0.832,505 1.066,506 1.251,507 1.046,508 1.115,509 0.913,510 1.082,511 0.991,512 1.096,513 0.929,514 0.963,515 1.247,516 0.929,517 1.122,518 0.936,519 0.95,520 0.766,521 1.359,522 0.801,523 0.959,524 1.186,525 1.109,526 1.181,527 1.018,528 1.163,529 0.877,530 0.973,531 1.043,532 1.025,533 1.011,534 1.054,535 0.407,536 1.063,537 0.992,538 1.35,539 0.409,540 1.3,541 8.5,542 0.231,543 4.444,544 2.188,545 1.88,546 1.833,547 0.951,548 0.403,549 0.429,550 0.406,551 36977,552 93492,553 2.086,554 47.6,556 37,559 2,564 1.812,565 1.969,566 4.075,567 0.184,573 131.453,574 1.603,575 3.423,576 4.314,577 4.745,578 4.842,579 4.915,580 3.523,581 4.636,582 5.395,583 4.34,584 3919.04,585 9.52,586 77490.2,591 521.319,592 1.338,593 5.365,594 0.181,595 0.006,596 0.069,597 0.033,598 0.03,599 0.028,600 0.015,601 0.006,602 0.008,603 0.009,604 0.386,605 0.33,606 0.63,607 1.118,608 254.353,609 -0.044,610 -0.456,611 0.076,612 -0.207,613 -0.029,614 -0.068,615 0.027,616 0.293,617 0.04,618 0.177,619 0.081,620 0.115,621 -0.092,622 -0.152,623 -0.086,624 -0.087,625 -0.032,626 -0.089,627 -0.063,628 -0.088,629 0.059,630 -0.003,631 -0.044,632 0.044,633 -0.054,634 0.115,635 0.053,636 0.172,637 -0.065,638 0.144,639 -0.092,640 -0.035,641 -0.172,642 -0.136,643 -0.083,644 -0.161,645 -0.028,646 0.075,647 -0.09,648 0.01,649 -0.083,650 -0.04,651 0.266,652 -0.054,653 -0.07,654 -0.252,655 0.243,656 -0.232,657 2.056,658 5.686,659 0.698,660 67.28,661 1.006,662 1.141,663 2.462,664 6.06,665 0.638,666 3.871,667 4.174,668 4.407,669 4.635,670 4.89,671 4.956,672 5.153,673 5.273,674 5.38,675 5.501,676 10.668,677 0.609,678 589.78,679 3.871,680 5.407,681 6.24,682 7.101,683 7.951,684 8.817,685 9.676,686 10.546,687 11.411,688 12.283,689 11,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 82,733 20,734 2,735 47,737 86,738 30,739 15,740 4,741 8,742 1,746 5,747 5,751 1,761 17,762 13,766 2,771 2,775 2,781 39,782 13,783 2,784 13,790 9,794 1,795 4,812 5,836 1,839 2,840 5,844 3,848 43,854 10,855 2,856 2,859 4,870 4.9,873 2,874 2,877 21.833,878 15.483,879 9.472,880 4.803,881 3.423,882 1.397,883 0.966,884 10.649,885 12.042,886 4.078,887 4.59,888 5.089,889 5.612,890 6.159,891 6.413,892 6.837,893 7.167,894 7.439,895 7.792,896 0.917,897 66,898 15.952,900 6.661,901 7.709,902 30.565,904 24.497,905 2.209,906 95,910 435.531,911 158.994,912 98.875,914 72.29,917 158.994,918 507.82,919 98.875,920 25.189,921 70.15,922 75.81,923 127.351,924 23.586,925 8.074,926 435.531,928 435.531,929 257.869,930 72.29,933 437.859,934 50.29,935 22,937 77.072,938 128.113,939 50.357,941 435.531,942 171.165,943 158.994,946 435.531,947 57.995,948 113.496,949 36.022,950 122.646,951 435.531,952 171.165,953 158.994,955 0.576,956 0.324,957 0.169,958 0.097,959 28,960 13,961 0.105,962 9,964 1,965 5.325,966 422.015,968 30,969 196.574,974 30.948,975 14.796,976 8.543,978 171.165,979 14.242,980 14.328,984 4.4,986 36.022,987 765.69,988 58,993 25.327,997 -0.454,999 82.479,1000 93.55,1001 0.252,1002 0.538,1003 0.679,1004 0.746,1005 0.762,1006 0.773,1007 5.321,1008 2.019,1009 6.209,1010 5.846,1011 4.86,1012 5.278,1013 2.675,1014 6.973,1015 4.743,1016 6.483,1017 1.91,1018 7.738,1019 5.213,1020 4.369,1021 4.966,1022 1.577,1023 7.763,1024 4.208,1025 7.759,1026 1.754,1027 9.365,1028 5,1029 6.412,1030 7.332,1031 2.906,1032 10.837,1033 6.188,1034 9.066,1035 1.697,1036 11.05,1037 4.761,1038 6.723,1039 7.818,1040 2.49,1041 12.444,1042 6.462,1043 10.405,1044 1.367,1045 12.771,1046 4.065,1047 8.224,1048 9.683,1049 3.489,1050 15.015,1051 7.905,1052 11.766,1053 1.087,1054 14.519,1055 3.668,1056 8.914,1057 10.55,1058 3.482,1059 16.968,1060 8.558,1061 13.144,1062 1,1063 16.284,1064 2.669,1065 10.18,1066 12.189,1067 4.274,1068 19.349,1069 9.771,1070 3.07,1071 1,1072 18.063,1073 2.509,1074 11.063,1075 13.263,1076 4.502,1077 21.461,1078 10.615,1079 2.947,1080 9.93,1081 19.853,1082 2.275,1083 12.223,1084 14.785,1085 5.169,1086 23.765,1087 11.726,1088 2.755,1089 9.392,1090 21.651,1091 4.05,1092 13.206,1093 15.979,1094 5.524,1095 25.953,1096 12.667,1097 2.684,1098 8.666,1099 23.455,1100 3.799,1101 14.32,1102 17.436,1103 6.119,1104 28.229,1105 13.735,1106 2.612,1107 8.629,1108 25.264,1109 3.597,1110 15.354,1111 18.702,1112 6.542,1113 30.454,1114 14.726,1115 2.399,1116 7.628,1117 27.078,1118 3.209,1119 16.449,1120 20.123,1121 7.097,1122 32.72,1123 15.777,1124 2.228,1125 6.945,1126 28.896,1127 3.03,1128 17.511,1129 21.434,1130 7.557,1131 34.966,1132 16.795,1133 35003,1134 55893,1135 31.611,1136 52.29,1137 70.037,1138 72.164,1139 70.974,1140 69.713,1141 69.65,1142 84.912,1143 15.032,1144 193.611,1145 65.564,1146 5.394,1147 5.678,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.569,1154 4.909,1155 21.538,1156 1.49,1157 1.535,1158 1.51,1159 1.483,1160 1.482,1161 1.807,1162 0.32,1163 4.119,1164 1.395,1165 4.023,1166 4.068,1167 3.98,1168 3.906,1169 7.432,1170 3.915,1171 3.936,1172 3.97,1173 3.889,1174 3.847,1175 7.427,1176 3.851,1177 3.834,1178 3.882,1179 3.766,1180 3.638,1181 5.077,1182 3.667,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.734,1188 3.533,1189 3.711,1190 3.79,1191 3.59,1192 3.493,1193 4.692,1194 3.505,1195 3.563,1196 3.617,1197 3.483,1198 3.323,1199 4.616,1200 3.357,1201 3.481,1202 3.555,1203 3.384,1204 3.225,1205 4.589,1206 3.254,1207 3.359,1208 3.415,1209 3.262,1210 3.081,1211 4.347,1212 3.12,1213 0.093,1214 0.078,1215 0.136,1216 0.085,1217 0.065,1218 4.394,1219 0.086,1220 3.678,1221 0.035,1222 6.383,1223 0.211,1224 3.994,1225 0.062,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.909,1231 1.935,1232 1.905,1233 2.026,1234 2.081,1235 1.208,1236 2.059,1237 1.908,1238 1.882,1239 2.007,1240 2.03,1241 1.187,1242 2.023,1243 1.757,1244 1.699,1245 1.93,1246 1.961,1247 1.167,1248 1.957,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.101,1254 1.926,1255 1.66,1256 1.58,1257 1.903,1258 1.9,1259 1.075,1260 1.907,1261 1.448,1262 1.394,1263 1.698,1264 1.721,1265 0.825,1266 1.702,1267 1.406,1268 1.327,1269 1.535,1270 1.681,1271 0.825,1272 1.661,1273 1.237,1274 1.182,1275 1.513,1276 1.535,1277 0.78,1278 1.496,1279 4.554,1281 5.861,1283 7.356,1285 8.93,1287 10.548,1289 5.722,1295 6.815,1296 5.665,1297 11.013,1300 7.943,1305 49.954,1306 131.453,1307 280.663,1308 353.77,1309 389.055,1310 397.055,1311 403.055,1312 83.109,1313 8.618,1314 128.29,1315 128.29,1316 30,1317 12.826,1318 4.392,1319 3.585,1320 71.929,1321 281,1322 293,1323 0.123,1324 306.506,1325 538.18,1326 739.635,1327 82030,1329 30.183,1330 0.702,1331 0.58,1332 30.183,1333 24.953,1334 20.851,1335 0.444,1336 0.308,1337 14.142,1338 19.7,1339 13.786,1340 11.405,1341 20.851,1342 14.457,1343 18.729,1344 0.293,1345 0.168,1346 18.729,1347 10.722,1348 15.211,1349 0.188,1350 0.089,1351 15.211,1352 7.22,1353 12.224,1354 0.12,1355 0.046,1356 12.224,1357 4.657,1358 10.211,1359 0.077,1360 0.024,1361 10.211,1362 3.226,1363 0.202,1364 132.895,1365 0.178,1366 39.033,1367 0.313,1368 222,1369 687.124,1370 251.335,1371 648.605,1372 880.21,1373 610,1374 256,1375 636.01,1376 286.201,1377 641.67,1378 938.82,1379 599,1380 9.398}
{0 CHEMBL1213084,1 1.667,2 10.632,3 5.122,4 26.23,5 142.533,6 8.459,7 0.651,8 4.232,9 4.343,10 3.906,11 3.798,12 5.471,13 3.809,14 4.72,15 4.869,16 4.318,17 4.195,18 5.951,19 4.2,20 4.954,21 5.112,22 4.448,23 4.344,24 6.186,25 4.346,26 5.083,27 5.266,28 4.516,29 4.377,30 6.404,31 4.373,32 5.144,33 5.333,34 4.473,35 4.394,36 6.411,37 4.384,38 5.132,39 5.32,40 4.489,41 4.424,42 6.357,43 4.408,44 5.173,45 5.377,46 4.526,47 4.462,48 6.461,49 4.429,50 5.183,51 5.394,52 4.373,53 4.449,54 6.351,55 4.398,56 0.14,57 1.014,58 9.339,59 4.851,60 16.349,61 5.48,62 0.328,63 1.627,64 17.685,65 8.089,66 25.85,67 9.763,68 0.466,69 2.023,70 23.425,71 9.835,72 52.665,73 11.269,74 0.706,75 2.203,76 28.87,77 11.232,78 79.039,79 13.811,80 0.902,81 2.292,82 32.782,83 11.361,84 103.286,85 13.17,86 0.741,87 2.292,88 31.371,89 11.431,90 87.986,91 13.779,92 0.889,93 2.423,94 34.124,95 12.936,96 102.616,97 16.834,98 0.758,99 2.367,100 35.598,101 13.055,102 89.583,103 15.716,104 37,105 64,106 0.263,107 0.655,108 0.77,109 0.863,110 0.896,111 0.896,112 3.669,113 0.827,114 -6.01,115 -5.86,116 -5.45,119 46.7,120 2,125 1,142 10,143 5,144 4,146 1,147 1,148 1,158 2,161 1,163 1,164 1,165 1,166 1,172 12,174 4,175 11,177 1,178 1,180 3,183 15,185 1,186 3,187 10,192 1,195 10,198 5,199 17,201 3,202 3,204 2,207 4,209 1,211 3,212 19,215 1,217 3,220 6,222 2,223 1,224 14,227 1,232 10,236 3,237 19,239 2,240 4,241 1,242 1,244 1,245 16,247 1,250 9,258 15,262 1,263 11,265 1,266 3,268 4,271 17,273 4,275 2586,276 25.585,277 25.585,278 25.585,279 25.585,280 25.585,281 21.819,282 27.812,283 14.685,284 26.055,285 21.232,286 21.232,287 21.232,288 21.232,289 21.232,290 15.542,291 35.292,292 6.962,293 22.047,294 4.239,295 1.755,296 1.025,297 0.438,298 0.225,299 0.225,300 4.381,306 893,307 3,310 70.12,311 467.913,314 135.258,315 157.093,318 1.427,319 50.613,322 0.5,323 0.33,324 0.83,325 0.3,327 0.83,328 1,329 0.54,330 83,331 404,332 4.752,333 3.876,334 7.051,335 4.317,336 3.353,337 4.725,338 1.545,339 12.088,340 3.236,341 4.618,342 3.365,343 6.997,344 4.261,345 3.291,346 4.226,347 1.063,348 11.93,349 3.192,350 4.23,351 3.114,352 6.491,353 3.859,354 2.877,355 3.835,356 0.291,357 10.01,358 2.819,359 4.164,360 3.013,361 6.049,362 3.723,363 2.759,364 3.825,365 0.207,366 8.724,367 2.652,368 3.833,369 2.918,370 5.751,371 3.428,372 2.468,373 3.23,375 7.726,376 2.365,377 3.62,378 2.716,379 5.583,380 3.192,381 2.235,382 3.007,384 7.026,385 2.136,386 3.563,387 2.447,388 5.276,389 3.143,390 2.197,391 2.945,393 6.447,394 2.069,395 3.469,396 2.379,397 5.239,398 3.034,399 2.061,400 2.723,402 6.264,403 1.993,404 3.232,405 2.289,406 4.848,407 2.801,408 1.879,409 2.481,411 5.022,412 1.739,413 3.141,414 2.098,415 4.618,416 2.753,417 1.763,418 2.33,420 4.963,421 1.712,422 2.933,423 1.72,424 4.474,425 2.436,426 1.473,427 2.134,428 4.059,429 1.421,430 2.886,431 1.5,432 4.36,433 2.414,434 1.433,435 2.052,436 3.858,437 1.414,438 2.842,439 1.477,440 4.251,441 2.384,442 1.414,443 1.973,445 3.573,446 1.353,447 2.708,448 1.392,449 3.815,450 2.211,451 1.257,452 1.778,454 2.997,455 1.195,456 2.648,457 1.337,458 3.651,459 2.162,460 1.157,461 1.677,463 2.719,464 1.159,465 17.752,466 0.467,467 1.117,468 0.029,469 56.5,470 1.487,471 31,472 0.816,473 25.5,474 0.671,475 32.105,476 0.845,477 38.648,478 0.644,479 50.532,480 1.33,481 11.209,482 0.295,483 7.104,484 0.187,485 0.133,487 0.439,491 1,493 0.731,494 1.082,495 0.675,496 0.922,497 0.702,498 0.813,499 0.624,500 1.003,501 0.636,502 0.89,503 0.545,504 0.79,505 1.041,506 1.152,507 0.918,508 1.024,509 0.981,510 0.954,511 0.769,512 1.059,513 0.851,514 1.061,515 0.696,516 0.987,517 1.258,518 0.986,519 1.103,520 0.919,521 1.264,522 0.957,523 1.032,524 1.039,525 1.008,526 0.962,527 1.05,528 0.966,529 0.618,530 0.866,531 0.836,532 0.94,533 0.556,534 0.938,535 1.178,536 0.953,537 1.173,538 0.95,539 1.048,540 1.022,541 7.5,542 0.355,543 4.444,544 4.292,545 3.233,546 1.48,547 1.513,548 0.787,549 0.756,550 0.461,551 20334,552 59447,553 2.126,554 36.7,555 6,556 12,558 1,559 3,564 1.797,565 1.966,566 3.393,567 0.791,573 100.049,574 1.667,575 4.152,576 4.882,577 5.469,578 5.682,579 5.682,580 2.68,581 4.985,582 5.223,583 3.573,584 2511.86,585 9.252,586 39386.5,591 354.413,592 1.471,593 5.17,594 0.174,595 0.007,596 0.069,597 0.06,598 0.044,599 0.021,600 0.021,601 0.011,602 0.012,603 0.008,604 0.429,605 0.17,606 0.63,607 0.559,608 204.992,609 -0.058,610 -0.062,611 0.029,612 0.019,613 -0.112,614 0.037,615 0.091,616 0.005,617 0.162,618 0.054,619 0.055,620 0.104,621 -0.112,622 -0.1,623 -0.07,624 -0.089,625 -0.123,626 -0.074,627 0.145,628 -0.081,629 0.061,630 -0.134,631 0.161,632 -0.076,633 -0.142,634 0.006,635 -0.146,636 0.002,637 -0.12,638 -0.057,639 -0.089,640 -0.075,641 -0.083,642 -0.033,643 -0.115,644 -0.05,645 0.233,646 0.099,647 0.117,648 0.021,649 0.213,650 0.031,651 -0.223,652 0.054,653 -0.197,654 0.022,655 -0.154,656 -0.048,657 2.293,658 6.911,659 0.816,660 35,661 1.016,662 1.126,663 4.776,664 22.809,665 0.7,666 3.784,667 4.174,668 4.522,669 4.89,670 5.165,671 5.333,672 5.545,673 5.762,674 5.938,675 6.078,676 6.811,677 0.686,678 507.57,679 3.784,680 5.371,681 6.263,682 7.188,683 8.098,684 9.029,685 9.949,686 10.882,687 11.806,688 12.742,689 11.7,693 1,696 1,697 1,698 1,699 3,703 2,704 11,705 3,709 10,710 1,711 28,719 1,722 1,728 1,730 1,731 60,733 30,734 3,735 43,737 65,738 28,739 23,740 8,741 10,742 2,746 6,747 8,752 2,761 25,762 3,766 2,771 1,774 1,775 2,779 1,781 22,782 9,783 3,784 10,790 7,791 1,794 0.667,795 2,803 1,806 1,811 1,812 5,815 1,816 1,840 4,844 2,846 1,848 38,849 1,853 1,854 1,859 1,869 1,870 3.3,872 1,873 1,877 19.333,878 11.71,879 8.083,880 3.448,881 5.488,882 1.613,883 1.032,884 5.756,885 14.442,886 4.094,887 4.785,888 5.446,889 6.121,890 6.69,891 7.064,892 7.545,893 8.049,894 8.462,895 8.88,896 0.857,897 71,898 14.11,900 6.32,901 7.917,902 26.217,904 22.004,905 2.417,906 91.833,910 223.651,911 166.92,912 104.818,914 67.828,915 14.96,917 166.92,918 291.479,919 119.778,920 17.65,921 5.23,922 127.66,923 138.581,924 59.887,925 17.288,926 211.88,928 223.651,929 271.737,930 82.788,933 238.611,934 67.828,937 54.533,938 166.97,939 50.234,941 238.611,942 172.646,943 166.92,946 223.651,947 45.888,948 125.932,950 182.705,951 223.651,952 187.606,953 166.92,955 0.596,956 0.36,957 0.213,958 0.117,959 34,960 16,961 0.062,962 4,963 2,964 1.129,965 4.49,966 419.04,967 0.129,968 31,969 195.421,974 23.927,975 9.141,976 4.062,977 0.782,978 185.829,979 18.077,980 13.156,984 3.412,985 1.558,986 75.581,987 578.176,988 59,993 13.911,996 4.877,997 0.232,999 60.949,1000 67.568,1001 0.282,1002 0.703,1003 0.827,1004 0.926,1005 0.962,1006 0.962,1007 5.361,1008 2.061,1009 6.282,1010 6.447,1011 4.86,1012 5.474,1013 2.032,1014 7.177,1015 4.787,1016 6.614,1017 1.879,1018 7.891,1019 6.264,1020 4.575,1021 5.394,1022 1.048,1023 8.222,1024 4.46,1025 7.955,1026 1.763,1027 9.6,1028 5.022,1029 6.529,1030 7.765,1031 2.416,1032 11.399,1033 6.391,1034 9.332,1035 1.473,1036 11.369,1037 4.963,1038 7.048,1039 8.496,1040 2.041,1041 13.289,1042 6.873,1043 10.74,1044 1.433,1045 13.176,1046 4.059,1047 8.508,1048 10.359,1049 2.983,1050 15.998,1051 8.307,1052 12.172,1053 1.414,1054 15.011,1055 3.858,1056 9.398,1057 11.491,1058 2.968,1059 18.238,1060 9.163,1061 13.624,1062 1.257,1063 16.867,1064 3.573,1065 10.674,1066 13.145,1067 3.676,1068 20.79,1069 10.411,1070 3.353,1071 1.157,1072 18.739,1073 2.997,1074 11.733,1075 14.478,1076 3.87,1077 23.172,1078 11.436,1079 3.291,1080 12.088,1081 20.624,1082 2.719,1083 12.944,1084 16.047,1085 4.449,1086 25.673,1087 12.617,1088 2.877,1089 11.93,1090 22.519,1091 4.725,1092 14.076,1093 17.479,1094 4.758,1095 28.113,1096 13.716,1097 2.759,1098 10.01,1099 24.423,1100 4.226,1101 15.268,1102 19.017,1103 5.269,1104 30.598,1105 14.876,1106 2.468,1107 8.724,1108 26.333,1109 3.835,1110 16.433,1111 20.498,1112 5.639,1113 33.062,1114 16.007,1115 2.235,1116 7.726,1117 28.249,1118 3.825,1119 17.622,1120 22.027,1121 6.113,1122 35.544,1123 17.164,1124 2.197,1125 7.026,1126 30.169,1127 3.23,1128 18.803,1129 23.535,1130 6.515,1131 38.018,1132 18.31,1133 18891,1134 32535,1135 28.668,1136 41.978,1137 66.797,1138 67.529,1139 69.478,1140 65.868,1141 65.725,1142 89.325,1143 6.211,1144 201.283,1145 63.267,1146 5.666,1147 5.876,1148 6.736,1149 5.391,1150 5.353,1151 7.725,1152 2.671,1153 19.725,1154 5.236,1155 20.159,1156 1.553,1157 1.57,1158 1.616,1159 1.532,1160 1.528,1161 2.077,1162 0.144,1163 4.681,1164 1.471,1165 4.147,1166 4.192,1167 4.129,1168 4.011,1169 8.201,1170 4.033,1171 4.015,1172 4.044,1173 3.985,1174 3.925,1175 7.428,1176 3.935,1177 3.874,1178 3.903,1179 3.81,1180 3.821,1181 6.47,1182 3.815,1183 3.84,1184 3.868,1185 3.803,1186 3.722,1187 5.255,1188 3.739,1189 3.516,1190 3.582,1191 3.445,1192 3.333,1193 4.894,1194 3.354,1195 3.296,1196 3.364,1197 3.247,1198 3.056,1199 4.815,1200 3.084,1201 3.192,1202 3.262,1203 3.087,1204 3.026,1205 4.708,1206 3.029,1207 3.169,1208 3.255,1209 2.971,1210 3.017,1211 4.556,1212 2.997,1213 0.111,1214 0.09,1215 0.164,1216 0.1,1217 0.078,1218 4.752,1219 0.11,1220 3.876,1221 0.036,1222 7.051,1223 0.281,1224 4.317,1225 0.075,1226 3.353,1227 4.725,1228 1.545,1229 12.088,1230 3.236,1231 1.987,1232 1.961,1233 2.071,1234 2.105,1235 1.208,1236 2.092,1237 1.921,1238 1.903,1239 2.004,1240 2.027,1241 1.118,1242 2.011,1243 1.882,1244 1.855,1245 1.982,1246 1.961,1247 1.111,1248 1.976,1249 1.767,1250 1.725,1251 1.834,1252 1.95,1253 0.969,1254 1.924,1255 1.507,1256 1.448,1257 1.654,1258 1.73,1259 0.768,1260 1.71,1261 1.228,1262 1.175,1263 1.552,1264 1.489,1265 0.604,1266 1.476,1267 1.209,1268 1.135,1269 1.53,1270 1.418,1271 0.596,1272 1.469,1273 1.197,1274 1.125,1275 1.308,1276 1.402,1277 0.355,1278 1.412,1279 4.466,1281 5.838,1282 2.398,1283 7.41,1284 4.844,1285 9.081,1286 7.066,1287 10.805,1289 3.814,1291 14.167,1293 6.202,1294 9.995,1295 0.057,1300 1.594,1305 41.177,1306 100.049,1307 249.14,1308 292.929,1309 328.149,1310 340.904,1311 340.904,1312 78.899,1313 8.955,1314 124.74,1315 124.74,1316 35,1317 13.242,1318 4.954,1319 4.087,1320 52.581,1321 156,1322 141,1323 0.164,1324 247.835,1325 425.35,1326 596.478,1327 107638,1328 1.7,1329 26.551,1330 0.699,1331 0.541,1332 25.681,1333 20.552,1334 18.313,1335 0.426,1336 0.276,1337 11.685,1338 17.595,1339 11.383,1340 9.422,1341 17.919,1342 11.857,1343 17.326,1344 0.271,1345 0.142,1346 16.68,1347 9.086,1348 14.921,1349 0.164,1350 0.072,1351 14.683,1352 6.537,1353 13.894,1354 0.105,1355 0.036,1356 13.405,1357 4.798,1358 11.227,1359 0.065,1360 0.019,1361 11.08,1362 3.252,1363 0.251,1364 114.984,1365 0.187,1366 33.354,1367 0.477,1368 214,1369 679.179,1370 236.442,1371 641.109,1372 885.73,1373 598,1374 262,1375 673.983,1376 285.577,1377 677.518,1378 1002.99,1379 638,1380 5.886}
{0 CHEMBL1213085,1 1.667,2 11.184,3 5.122,4 26.23,5 142.533,6 8.459,7 0.651,8 4.232,9 4.343,10 3.906,11 3.798,12 5.472,13 3.809,14 4.72,15 4.869,16 4.318,17 4.195,18 5.94,19 4.2,20 4.956,21 5.112,22 4.469,23 4.343,24 6.266,25 4.348,26 5.085,27 5.268,28 4.484,29 4.377,30 6.351,31 4.368,32 5.136,33 5.333,34 4.452,35 4.39,36 6.364,37 4.374,38 5.118,39 5.306,40 4.474,41 4.419,42 6.347,43 4.4,44 5.165,45 5.371,46 4.507,47 4.458,48 6.408,49 4.423,50 5.173,51 5.386,52 4.405,53 4.447,54 6.372,55 4.397,56 0.14,57 1.014,58 9.339,59 4.851,60 16.365,61 5.48,62 0.328,63 1.627,64 17.685,65 8.089,66 26.892,67 9.763,68 0.553,69 2.024,70 23.426,71 9.83,72 68.083,73 11.42,74 0.661,75 2.23,76 29.03,77 11.255,78 69.085,79 13.455,80 0.827,81 2.26,82 32.815,83 11.376,84 93.015,85 13.573,86 0.721,87 2.272,88 30.697,89 11.328,90 88.129,91 13.694,92 0.823,93 2.412,94 33.936,95 12.829,96 90.13,97 16.634,98 0.767,99 2.351,100 35.198,101 13.203,102 88.611,103 16.494,104 37,105 64,106 0.263,107 0.655,108 0.77,109 0.863,110 0.896,111 0.896,112 3.669,113 0.828,114 -6.01,115 -5.86,116 -5.45,119 46.7,120 2,125 1,142 10,143 5,144 4,146 1,147 1,148 1,158 2,161 1,163 1,164 1,165 1,166 1,172 13,174 4,175 11,177 1,178 1,180 2,183 14,185 1,186 3,187 10,192 2,195 10,198 5,199 18,201 3,202 3,204 2,207 5,209 1,211 3,212 19,217 2,220 5,222 2,223 1,224 15,227 1,229 2,232 10,234 1,236 3,237 17,239 2,240 3,245 16,250 11,253 2,254 1,257 1,258 15,262 1,263 9,265 1,266 1,268 4,271 17,273 4,275 2606,276 25.637,277 25.637,278 25.637,279 25.637,280 25.637,281 21.843,282 26.57,283 14.638,284 26.09,285 21.184,286 21.184,287 21.184,288 21.184,289 21.184,290 15.506,291 33.819,292 6.898,293 21.989,294 4.239,295 1.755,296 1.025,297 0.438,298 0.225,299 0.225,300 4.381,306 940,307 3,310 70.92,311 469.84,314 136.574,315 157.819,318 1.562,319 50.152,322 0.5,323 0.33,324 0.83,325 0.3,327 0.83,328 1,329 0.54,330 83,331 425,332 4.751,333 3.876,334 7.051,335 4.316,336 3.353,337 4.725,338 1.545,339 12.087,340 3.236,341 4.618,342 3.368,343 6.997,344 4.26,345 3.291,346 4.226,347 1.063,348 11.926,349 3.191,350 4.231,351 3.169,352 6.491,353 3.859,354 2.877,355 3.878,356 0.291,357 10.01,358 2.819,359 4.21,360 3.094,361 6.086,362 3.767,363 2.814,364 3.833,365 0.207,366 8.772,367 2.676,368 3.839,369 2.924,370 5.833,371 3.438,372 2.479,373 3.235,375 7.882,376 2.372,377 3.686,378 2.717,379 5.694,380 3.28,381 2.328,382 3.088,384 7.383,385 2.205,386 3.62,387 2.446,388 5.545,389 3.19,390 2.235,391 3.007,393 6.905,394 2.132,395 3.469,396 2.377,397 5.271,398 3.034,399 2.061,400 2.723,402 6.267,403 1.994,404 3.141,405 2.098,406 4.848,407 2.754,408 1.763,409 2.33,411 5.022,412 1.739,413 2.998,414 1.912,415 4.481,416 2.453,417 1.515,418 2.236,420 4.168,421 1.423,422 2.887,423 1.721,424 4.464,425 2.428,426 1.452,427 2.053,428 3.99,429 1.414,430 2.842,431 1.538,432 4.251,433 2.414,434 1.414,435 1.973,436 3.576,437 1.409,438 2.82,439 1.489,440 4.038,441 2.358,442 1.414,443 1.948,445 3.512,446 1.321,447 2.708,448 1.403,449 3.815,450 2.212,451 1.258,452 1.779,454 2.997,455 1.196,456 2.648,457 1.337,458 3.663,459 2.162,460 1.157,461 1.677,463 2.72,464 1.159,465 17.752,466 0.467,467 1.101,468 0.029,469 56.5,470 1.487,471 31,472 0.816,473 25.5,474 0.671,475 32.046,476 0.843,477 38.648,478 0.644,479 50.416,480 1.327,481 11.224,482 0.295,483 7.106,484 0.187,485 0.133,487 0.439,491 1,493 0.731,494 1.082,495 0.675,496 0.922,497 0.701,498 0.813,499 0.624,500 1.003,501 0.636,502 0.89,503 0.566,504 0.79,505 0.909,506 1.151,507 0.859,508 1.025,509 0.813,510 0.943,511 0.975,512 1.082,513 0.965,514 1.064,515 0.927,516 1.02,517 1.148,518 0.956,519 1.057,520 0.906,521 1.13,522 0.939,523 1.002,524 1.05,525 1.015,526 0.975,527 1.003,528 0.984,529 0.659,530 0.863,531 0.85,532 0.931,533 0.614,534 0.93,535 0.963,536 0.963,537 1.051,538 0.964,539 0.853,540 1.002,541 7,542 0.322,543 5.111,544 4.042,545 3.233,546 1.591,547 1.382,548 0.931,549 0.764,550 0.508,551 20470,552 60071,553 2.126,554 36.7,555 6,556 12,558 1,559 3,564 1.796,565 1.966,566 3.436,567 0.791,573 100.049,574 1.667,575 4.152,576 4.882,577 5.469,578 5.682,579 5.682,580 2.845,581 5.143,582 5.222,583 3.604,584 2533.32,585 9.249,586 39641.4,591 354.413,592 1.471,593 5.17,594 0.163,595 0.007,596 0.08,597 0.056,598 0.046,599 0.023,600 0.019,601 0.013,602 0.012,603 0.009,604 0.427,605 0.17,606 0.63,607 0.559,608 205.227,609 -0.058,610 -0.062,611 0.029,612 0.019,613 -0.111,614 0.037,615 0.091,616 0.005,617 0.162,618 0.054,619 0.033,620 0.104,621 0.022,622 -0.099,623 -0.01,624 -0.09,625 0.048,626 -0.062,627 -0.009,628 -0.07,629 -0.049,630 -0.136,631 -0.008,632 -0.114,633 -0.134,634 0.001,635 -0.101,636 0.018,637 -0.1,638 -0.022,639 -0.084,640 -0.083,641 -0.097,642 -0.045,643 -0.089,644 -0.067,645 0.17,646 0.103,647 0.102,648 0.03,649 0.133,650 0.042,651 -0.06,652 0.042,653 -0.076,654 0.016,655 -0.014,656 -0.015,657 2.458,658 6.909,659 0.816,660 35.526,661 1.016,662 1.126,663 4.776,664 22.809,665 0.7,666 3.784,667 4.174,668 4.533,669 4.875,670 5.165,671 5.328,672 5.541,673 5.768,674 5.94,675 6.071,676 6.871,677 0.686,678 507.57,679 3.784,680 5.371,681 6.267,682 7.188,683 8.102,684 9.029,685 9.951,686 10.882,687 11.808,688 12.741,689 11.7,693 1,696 1,697 1,698 1,699 3,703 2,704 11,705 3,709 10,710 1,711 28,719 1,722 1,728 1,730 1,731 60,733 30,734 3,735 43,737 65,738 28,739 23,740 8,741 10,742 2,746 6,747 8,752 2,761 25,762 3,766 2,771 1,774 1,775 2,779 1,781 22,782 9,783 3,784 10,790 7,791 1,794 0.667,795 2,803 1,806 1,811 1,812 5,815 1,816 1,840 4,844 2,846 1,848 38,849 1,853 1,854 1,859 1,869 1,870 3.3,872 1,873 1,877 19.333,878 11.71,879 8.111,880 3.455,881 5.48,882 1.612,883 1.032,884 5.756,885 14.434,886 4.094,887 4.785,888 5.453,889 6.111,890 6.69,891 7.059,892 7.544,893 8.055,894 8.468,895 8.873,896 1,897 72,898 14.11,900 6.325,901 7.917,902 26.217,904 22.009,905 2.417,906 91.833,910 223.651,911 166.92,912 104.818,914 67.828,915 14.96,917 166.92,918 291.479,919 119.778,920 17.65,921 5.23,922 127.66,923 138.581,924 59.887,925 17.288,926 211.88,928 223.651,929 271.737,930 82.788,933 238.611,934 67.828,937 54.533,938 166.97,939 50.234,941 238.611,942 172.646,943 166.92,946 223.651,947 45.888,948 125.932,950 182.705,951 223.651,952 187.606,953 166.92,955 0.597,956 0.368,957 0.207,958 0.116,959 34,960 16,961 0.062,962 4,963 2,964 1.129,965 4.499,966 418.245,967 0.129,968 31,969 195.421,974 23.927,975 9.141,976 3.97,977 0.829,978 185.829,979 18.425,980 13.19,984 3.193,985 1.575,986 75.581,987 578.176,988 59,993 13.909,996 4.881,997 0.247,999 60.949,1000 67.568,1001 0.282,1002 0.703,1003 0.827,1004 0.926,1005 0.962,1006 0.962,1007 5.361,1008 2.061,1009 6.286,1010 6.905,1011 4.86,1012 5.474,1013 2.032,1014 7.183,1015 4.787,1016 6.614,1017 1.763,1018 7.9,1019 6.267,1020 4.575,1021 5.394,1022 1.048,1023 8.241,1024 4.46,1025 7.957,1026 1.515,1027 9.615,1028 5.022,1029 6.535,1030 7.769,1031 2.416,1032 11.412,1033 6.394,1034 9.336,1035 1.452,1036 11.389,1037 4.168,1038 7.066,1039 8.51,1040 2.041,1041 13.307,1042 6.884,1043 10.747,1044 1.414,1045 13.2,1046 3.99,1047 8.522,1048 10.369,1049 2.983,1050 16.01,1051 8.315,1052 12.182,1053 1.414,1054 15.038,1055 3.576,1056 9.419,1057 11.507,1058 2.968,1059 18.248,1060 9.175,1061 13.636,1062 1.258,1063 16.895,1064 3.512,1065 10.692,1066 13.158,1067 3.676,1068 20.797,1069 10.421,1070 3.353,1071 1.157,1072 18.768,1073 2.997,1074 11.752,1075 14.493,1076 3.87,1077 23.177,1078 11.445,1079 3.291,1080 12.087,1081 20.652,1082 2.72,1083 12.961,1084 16.059,1085 4.449,1086 25.676,1087 12.625,1088 2.877,1089 11.926,1090 22.546,1091 4.725,1092 14.092,1093 17.491,1094 4.758,1095 28.114,1096 13.722,1097 2.814,1098 10.01,1099 24.447,1100 4.226,1101 15.282,1102 19.027,1103 5.269,1104 30.598,1105 14.881,1106 2.479,1107 8.772,1108 26.355,1109 3.878,1110 16.446,1111 20.507,1112 5.639,1113 33.061,1114 16.011,1115 2.328,1116 7.882,1117 28.269,1118 3.833,1119 17.633,1120 22.035,1121 6.113,1122 35.542,1123 17.166,1124 2.235,1125 7.383,1126 30.187,1127 3.235,1128 18.812,1129 23.542,1130 6.515,1131 38.016,1132 18.312,1133 19018,1134 32814,1135 28.668,1136 41.978,1137 66.57,1138 67.954,1139 69.625,1140 65.676,1141 65.651,1142 89.267,1143 6.211,1144 201.508,1145 63.216,1146 5.665,1147 5.876,1148 6.735,1149 5.391,1150 5.353,1151 7.725,1152 2.671,1153 19.724,1154 5.236,1155 20.238,1156 1.548,1157 1.58,1158 1.619,1159 1.527,1160 1.527,1161 2.076,1162 0.144,1163 4.686,1164 1.47,1165 4.147,1166 4.192,1167 4.129,1168 4.011,1169 8.201,1170 4.032,1171 4.015,1172 4.044,1173 3.985,1174 3.925,1175 7.428,1176 3.935,1177 3.874,1178 3.903,1179 3.811,1180 3.821,1181 6.465,1182 3.815,1183 3.841,1184 3.868,1185 3.805,1186 3.722,1187 5.256,1188 3.739,1189 3.516,1190 3.582,1191 3.445,1192 3.333,1193 4.895,1194 3.354,1195 3.298,1196 3.365,1197 3.25,1198 3.056,1199 4.816,1200 3.085,1201 3.193,1202 3.262,1203 3.094,1204 3.026,1205 4.708,1206 3.03,1207 3.169,1208 3.255,1209 2.987,1210 3.018,1211 4.571,1212 2.997,1213 0.11,1214 0.09,1215 0.164,1216 0.1,1217 0.078,1218 4.751,1219 0.11,1220 3.876,1221 0.036,1222 7.051,1223 0.281,1224 4.316,1225 0.075,1226 3.353,1227 4.725,1228 1.545,1229 12.087,1230 3.236,1231 1.987,1232 1.961,1233 2.071,1234 2.105,1235 1.208,1236 2.092,1237 1.922,1238 1.903,1239 2.004,1240 2.027,1241 1.118,1242 2.011,1243 1.882,1244 1.855,1245 1.985,1246 1.961,1247 1.112,1248 1.976,1249 1.767,1250 1.725,1251 1.834,1252 1.95,1253 0.969,1254 1.924,1255 1.507,1256 1.448,1257 1.653,1258 1.73,1259 0.767,1260 1.71,1261 1.227,1262 1.176,1263 1.552,1264 1.49,1265 0.604,1266 1.476,1267 1.209,1268 1.135,1269 1.53,1270 1.418,1271 0.596,1272 1.469,1273 1.197,1274 1.125,1275 1.306,1276 1.402,1277 0.353,1278 1.412,1279 4.466,1281 5.838,1282 2.398,1283 7.414,1284 4.844,1285 9.087,1286 7.066,1287 10.81,1289 3.819,1291 14.228,1293 6.207,1294 9.661,1295 0.07,1300 1.6,1305 41.177,1306 100.049,1307 249.14,1308 292.929,1309 328.149,1310 340.904,1311 340.904,1312 78.28,1313 8.955,1314 124.74,1315 124.74,1316 35,1317 13.242,1318 4.954,1319 4.087,1320 52.604,1321 157,1322 169,1323 0.163,1324 247.835,1325 425.35,1326 596.478,1327 107638,1328 1.7,1329 26.551,1330 0.699,1331 0.541,1332 25.681,1333 20.552,1334 18.329,1335 0.426,1336 0.276,1337 11.691,1338 17.624,1339 11.392,1340 9.43,1341 17.919,1342 11.863,1343 17.176,1344 0.268,1345 0.141,1346 16.668,1347 9.054,1348 15.345,1349 0.167,1350 0.072,1351 14.767,1352 6.603,1353 13.514,1354 0.104,1355 0.036,1356 13.25,1357 4.741,1358 11.28,1359 0.065,1360 0.019,1361 11.103,1362 3.264,1363 0.249,1364 115.086,1365 0.187,1366 33.403,1367 0.472,1368 214,1369 679.179,1370 236.442,1371 640.899,1372 886.33,1373 598,1374 263,1375 674.983,1376 287.685,1377 678.239,1378 1006.26,1379 639,1380 5.046}
{0 CHEMBL1213116,1 1.6,2 10.441,3 3.651,4 13.329,5 130.866,6 8.21,7 0.579,8 4.135,9 4.251,10 3.784,11 3.687,12 5.356,13 3.694,14 4.621,15 4.783,16 4.166,17 4.065,18 5.816,19 4.062,20 4.799,21 4.964,22 4.3,23 4.209,24 5.993,25 4.204,26 4.93,27 5.11,28 4.357,29 4.254,30 6.189,31 4.242,32 5.015,33 5.21,34 4.299,35 4.268,36 6.242,37 4.243,38 4.984,39 5.172,40 4.299,41 4.285,42 6.168,43 4.255,44 5.017,45 5.218,46 4.332,47 4.334,48 6.231,49 4.291,50 5.065,51 5.286,52 4.211,53 4.339,54 6.177,55 4.266,56 0.105,57 0.877,58 9.216,59 4.312,60 15.679,61 5.14,62 0.317,63 1.387,64 17.65,65 7.141,66 33.252,67 9.03,68 0.281,69 1.66,70 20.774,71 8.21,72 31.65,73 10.373,74 0.439,75 1.848,76 24.857,77 9.497,78 46.868,79 12.116,80 0.655,81 1.893,82 29.792,83 10.012,84 82.106,85 12.362,86 0.519,87 1.851,88 28.022,89 10.109,90 71.341,91 12.722,92 0.629,93 1.936,94 29.291,95 10.797,96 72.775,97 14.186,98 0.479,99 1.935,100 32.73,101 12.069,102 63.427,103 15.894,104 29,105 55,106 0.258,107 0.683,108 0.785,109 0.848,110 0.886,111 0.886,112 3.562,113 0.839,114 -5.17,115 -5.07,116 -4.74,119 45.5,120 2,125 2,141 2,142 7,143 4,144 2,146 1,147 1,148 1,158 2,161 1,163 1,164 1,165 1,166 1,172 11,174 4,175 11,177 1,178 1,180 2,183 12,185 1,186 3,187 9,192 1,195 8,198 5,199 16,201 3,202 3,204 1,207 4,209 1,211 3,212 16,215 1,217 2,220 5,222 1,223 1,224 13,227 1,232 10,236 3,237 15,239 2,240 4,241 1,244 1,245 16,250 9,258 15,262 1,263 8,265 1,266 3,268 4,271 13,273 4,275 2050,276 23.198,277 23.198,278 23.198,279 23.198,280 23.198,281 19.871,282 28.41,283 13.633,284 23.607,285 18.721,286 18.721,287 18.721,288 18.721,289 18.721,290 13.621,291 37.959,292 6.382,293 19.411,294 4.182,295 1.543,296 0.908,297 0.514,298 0.282,299 0.282,300 4.267,305 1,306 774,307 3.24,310 63.783,311 330.561,314 122.149,315 140.331,318 1.415,319 36.437,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 73.5,331 355,332 4.728,333 3.876,334 7.048,335 4.307,336 3.342,337 4.705,338 1.545,339 12.063,340 3.23,341 4.617,342 3.407,343 6.914,344 4.213,345 3.249,346 4.226,347 1.128,348 11.622,349 3.13,350 4.23,351 3.111,352 6.49,353 3.858,354 2.876,355 3.833,356 1.063,357 10.007,358 2.819,359 3.903,360 2.931,361 5.81,362 3.433,363 2.473,364 3.237,365 0.291,366 7.883,367 2.371,368 3.818,369 2.726,370 5.616,371 3.191,372 2.235,373 3.059,374 0.207,375 7.074,376 2.136,377 3.62,378 2.642,379 5.276,380 3.066,381 2.113,382 3.007,384 6.276,385 2.011,386 3.469,387 2.38,388 5.146,389 3.03,390 2.058,391 2.723,393 6.059,394 1.988,395 3.185,396 2.26,397 4.847,398 2.752,399 1.762,400 2.33,402 5.022,403 1.738,404 3.141,405 2.097,406 4.474,407 2.436,408 1.472,409 2.185,411 4.029,412 1.421,413 2.888,414 1.72,415 4.251,416 2.414,417 1.445,418 2.052,420 3.578,421 1.414,422 2.842,423 1.492,424 3.827,425 2.401,426 1.414,427 1.973,428 3.024,429 1.371,430 2.709,431 1.427,432 3.77,433 2.213,434 1.26,435 1.779,436 2.991,437 1.197,438 2.648,439 1.339,440 3.6,441 2.162,442 1.157,443 1.677,445 2.718,446 1.159,447 2.558,448 1.287,449 3.391,450 2.067,451 1.144,452 1.512,454 2.37,455 1.052,456 1.741,457 0.882,458 3.251,459 1.277,460 0.299,461 0.375,463 0.755,464 0.289,465 15.967,466 0.47,467 0.854,468 0.025,469 49.25,470 1.449,471 26.5,472 0.779,473 22.75,474 0.669,475 28.171,476 0.829,477 34.433,478 0.626,479 41.739,480 1.228,481 9.848,482 0.29,483 6.642,484 0.195,485 0.129,487 0.395,493 0.849,494 1.221,495 0.716,496 0.951,497 0.825,498 0.834,499 0.762,500 1.024,501 0.693,502 0.833,503 0.688,504 0.766,505 0.875,506 1.203,507 0.817,508 0.998,509 0.747,510 0.904,511 0.862,512 1.168,513 0.899,514 1.11,515 0.814,516 1.025,517 1.406,518 1.031,519 1.116,520 0.938,521 1.499,522 0.968,523 1.203,524 1.132,525 1.04,526 0.999,527 1.267,528 0.991,529 0.791,530 0.894,531 0.954,532 0.929,533 0.682,534 0.955,535 1.009,536 0.944,537 1.05,538 0.976,539 0.868,540 1.007,541 5.5,542 0.223,543 4,544 3.854,545 2.534,546 1.441,547 1.135,548 0.728,549 0.645,550 0.385,551 14665,552 41811,553 2.109,554 38.2,555 6,556 11,558 1,559 3,564 1.77,565 1.962,566 3.325,567 0.84,573 87.988,574 1.6,575 4.238,576 4.874,577 5.267,578 5.499,579 5.499,580 2.694,581 4.793,582 5.06,583 3.484,584 1954.62,585 8.929,586 28429.9,588 1,591 317.975,592 1.449,593 5.014,594 0.145,595 0.007,596 0.073,597 0.062,598 0.04,599 0.024,600 0.019,601 0.012,602 0.012,603 0.009,604 0.402,605 0.33,606 0.88,607 1.005,608 177.256,609 -0.063,610 -0.096,611 0.034,612 0.001,613 -0.141,614 0.025,615 0.105,616 0.063,617 0.16,618 0.117,619 0.018,620 0.135,621 -0.025,622 -0.105,623 0.036,624 -0.064,625 -0.025,626 -0.013,627 0.117,628 -0.093,629 0.003,630 -0.181,631 0.117,632 -0.127,633 -0.165,634 0.003,635 -0.144,636 -0.005,637 -0.151,638 -0.06,639 -0.125,640 -0.106,641 -0.099,642 -0.045,643 -0.132,644 -0.064,645 0.128,646 0.141,647 -0.015,648 0.03,649 0.136,650 -0.008,651 -0.141,652 0.023,653 -0.069,654 0.023,655 -0.06,656 0.001,657 1.821,658 6.775,659 0.735,660 30.471,661 1.01,662 1.124,663 3.943,664 15.546,665 0.696,666 3.664,667 4.025,668 4.382,669 4.736,670 4.997,671 5.147,672 5.347,673 5.545,674 5.694,675 5.805,676 6.378,677 0.678,678 451.53,679 3.664,680 5.231,681 6.12,682 7.036,683 7.946,684 8.872,685 9.791,686 10.72,687 11.643,688 12.575,689 12.7,693 1,696 1,697 1,698 1,699 3,703 2,704 8,705 3,709 7,710 1,711 22,719 1,722 1,731 55,733 25,734 2,735 38,737 59,738 25,739 17,740 5,741 7,742 2,746 5,747 7,752 3,760 2,761 19,762 4,766 2,771 1,774 1,775 2,781 21,782 8,783 3,784 9,790 7,791 1,794 0.6,795 2,796 1,803 1,806 1,811 1,812 4,815 1,816 1,819 2,838 1,840 3,844 2,848 34,849 1,853 1,854 2,859 1,861 1,868 2,870 3.6,871 1,873 1,877 17.333,878 10.817,879 7.472,880 3.15,881 4.908,882 1.58,883 1.007,884 5.587,885 13.368,886 3.989,887 4.647,888 5.319,889 5.983,890 6.541,891 6.903,892 7.347,893 7.809,894 8.166,895 8.564,896 0.857,897 62,898 12.542,900 5.435,901 7.833,902 23.499,904 19.268,905 2.333,906 79.333,909 1,910 211.88,911 160.245,912 104.818,914 67.828,917 160.245,918 279.708,919 104.818,920 17.65,921 5.23,922 141.914,923 95.898,924 47.581,925 36.389,926 200.109,928 211.88,929 265.063,930 67.828,933 211.88,934 25.145,935 42.683,937 54.533,938 126.235,939 84.295,941 211.88,942 172.646,943 160.245,946 211.88,947 33.581,948 97.504,949 34.061,950 167.745,951 211.88,952 172.646,953 160.245,955 0.583,956 0.358,957 0.211,958 0.118,959 28,960 13,961 0.051,962 3,963 2,964 1.16,965 4.22,966 349.55,967 0.16,968 25,969 168.974,974 21.788,975 8.719,976 3.751,977 0.953,978 170.869,979 14.626,980 12.961,984 4.297,985 1.604,986 75.581,987 544.771,988 53,993 13.775,996 4.862,997 0.332,999 55.552,1000 61.813,1001 0.277,1002 0.733,1003 0.843,1004 0.911,1005 0.951,1006 0.951,1007 5.25,1008 1.762,1009 6.125,1010 6.059,1011 4.71,1012 5.335,1013 2.32,1014 7.017,1015 4.64,1016 6.5,1017 1.472,1018 7.731,1019 5.022,1020 4.369,1021 5.19,1022 1.048,1023 8.076,1024 4.27,1025 7.841,1026 1.445,1027 9.442,1028 4.029,1029 6.368,1030 7.623,1031 2.67,1032 11.258,1033 6.231,1034 9.22,1035 1.414,1036 11.217,1037 3.578,1038 6.878,1039 8.335,1040 2.041,1041 13.169,1042 6.71,1043 10.631,1044 1.26,1045 13.031,1046 3.024,1047 8.353,1048 10.225,1049 3.173,1050 15.874,1051 8.149,1052 12.066,1053 1.157,1054 14.874,1055 2.991,1056 9.25,1057 11.359,1058 2.968,1059 18.12,1060 9.013,1061 13.521,1062 1.144,1063 16.737,1064 2.718,1065 10.532,1066 13.026,1067 3.801,1068 20.667,1069 10.261,1070 3.342,1071 0.299,1072 18.615,1073 2.37,1074 11.597,1075 14.367,1076 3.87,1077 23.047,1078 11.291,1079 3.249,1080 12.063,1081 20.505,1082 0.755,1083 12.811,1084 15.942,1085 4.524,1086 25.54,1087 12.471,1088 2.876,1089 11.622,1090 22.404,1091 4.705,1092 13.947,1093 17.381,1094 4.758,1095 27.973,1096 13.571,1097 2.473,1098 10.007,1099 24.31,1100 4.226,1101 15.14,1102 18.923,1103 5.312,1104 30.45,1105 14.729,1106 2.235,1107 7.883,1108 26.222,1109 3.833,1110 16.305,1111 20.409,1112 5.639,1113 32.905,1114 15.859,1115 2.113,1116 7.074,1117 28.138,1118 3.237,1119 17.493,1120 21.94,1121 6.137,1122 35.377,1123 17.012,1124 2.058,1125 6.276,1126 30.059,1127 3.059,1128 18.672,1129 23.45,1130 6.515,1131 37.842,1132 18.155,1133 13916,1134 23679,1135 25.372,1136 38.279,1137 58.921,1138 59.322,1139 60.817,1140 57.09,1141 57.082,1142 77.991,1143 8.467,1144 171.791,1145 55.094,1146 5.642,1147 5.876,1148 6.908,1149 5.381,1150 5.342,1151 7.705,1152 2.673,1153 19.699,1154 5.23,1155 17.143,1156 1.551,1157 1.561,1158 1.6,1159 1.502,1160 1.502,1161 2.052,1162 0.223,1163 4.521,1164 1.45,1165 4.126,1166 4.174,1167 4.109,1168 3.983,1169 7.428,1170 4.005,1171 4.009,1172 4.04,1173 3.981,1174 3.9,1175 6.46,1176 3.918,1177 3.873,1178 3.903,1179 3.81,1180 3.821,1181 5.265,1182 3.815,1183 3.518,1184 3.582,1185 3.445,1186 3.378,1187 4.913,1188 3.388,1189 3.503,1190 3.539,1191 3.436,1192 3.326,1193 4.828,1194 3.348,1195 3.281,1196 3.346,1197 3.221,1198 3.053,1199 4.708,1200 3.07,1201 3.189,1202 3.261,1203 3.064,1204 3.023,1205 4.631,1206 3.011,1207 3.169,1208 3.255,1209 2.963,1210 2.996,1211 4.41,1212 2.996,1213 0.124,1214 0.102,1215 0.185,1216 0.113,1217 0.088,1218 4.728,1219 0.124,1220 3.876,1221 0.041,1222 7.048,1223 0.317,1224 4.307,1225 0.085,1226 3.342,1227 4.705,1228 1.545,1229 12.063,1230 3.23,1231 1.987,1232 1.961,1233 2.071,1234 2.105,1235 1.207,1236 2.092,1237 1.882,1238 1.855,1239 2.004,1240 1.997,1241 1.118,1242 1.977,1243 1.831,1244 1.798,1245 1.874,1246 1.959,1247 1.002,1248 1.964,1249 1.589,1250 1.539,1251 1.712,1252 1.795,1253 0.827,1254 1.771,1255 1.425,1256 1.378,1257 1.601,1258 1.631,1259 0.627,1260 1.623,1261 1.209,1262 1.144,1263 1.552,1264 1.477,1265 0.603,1266 1.471,1267 1.205,1268 1.127,1269 1.527,1270 1.418,1271 0.594,1272 1.468,1273 1.18,1274 1.119,1275 1.304,1276 1.402,1277 0.35,1278 1.408,1279 4.344,1281 5.694,1282 2.398,1283 7.255,1284 4.844,1285 8.921,1286 7.05,1287 10.644,1289 3.855,1293 6.086,1294 9.134,1295 -0.179,1300 1.627,1304 5.4,1305 37.267,1306 87.988,1307 233.104,1308 268.059,1309 289.71,1310 302.465,1311 302.465,1312 59.665,1313 8.46,1314 124.74,1315 124.74,1316 29,1317 13.077,1318 4.7,1319 4,1320 49.494,1321 127,1322 157,1323 0.187,1324 228.181,1325 393.28,1326 548.522,1327 58254,1329 23.819,1330 0.701,1331 0.549,1332 23.819,1333 18.649,1334 16.49,1335 0.434,1336 0.28,1337 10.479,1338 15.871,1339 10.178,1340 8.461,1341 16.49,1342 10.633,1343 14.887,1344 0.271,1345 0.143,1346 14.887,1347 7.848,1348 13.11,1349 0.166,1350 0.072,1351 13.11,1352 5.667,1353 11.919,1354 0.105,1355 0.036,1356 11.919,1357 4.096,1358 9.717,1359 0.066,1360 0.019,1361 9.717,1362 2.742,1363 0.284,1364 103.315,1365 0.199,1366 30.493,1367 0.546,1368 186,1369 553.068,1370 203.947,1371 543.905,1372 759.04,1373 510,1374 227,1375 577.135,1376 246.836,1377 586.754,1378 868.63,1379 552,1380 4.071}
{0 CHEMBL1213117,1 1.635,2 13.707,3 3.874,4 15.009,5 162.387,6 8.185,7 0.66,8 4.368,9 4.493,10 4.056,11 3.929,12 5.482,13 3.912,14 4.903,15 5.082,16 4.478,17 4.344,18 5.985,19 4.314,20 5.114,21 5.304,22 4.506,23 4.49,24 6.158,25 4.43,26 5.222,27 5.45,28 4.524,29 4.517,30 6.234,31 4.434,32 5.191,33 5.413,34 4.475,35 4.5,36 6.163,37 4.427,38 5.208,39 5.416,40 4.543,41 4.545,42 6.22,43 4.479,44 5.293,45 5.519,46 4.589,47 4.587,48 6.292,49 4.514,50 5.277,51 5.501,52 4.507,53 4.571,54 6.287,55 4.478,56 0.082,57 1.178,58 12.759,59 5.68,60 10.497,61 7.067,62 0.42,63 1.927,64 26.801,65 9.395,66 28.597,67 12.268,68 0.413,69 2.264,70 34.52,71 12.439,72 42.677,73 15.728,74 0.611,75 2.434,76 41.578,77 14.383,78 56.006,79 19.17,80 0.496,81 2.376,82 41.556,83 13.734,84 41.343,85 18.106,86 0.41,87 2.447,88 36.861,89 13.448,90 42.499,91 18.16,92 0.537,93 2.589,94 43.835,95 14.901,96 52.441,97 20.419,98 0.587,99 2.569,100 44.524,101 15.858,102 56.326,103 20.887,104 19,105 69,106 0.251,107 0.619,108 0.783,109 0.854,110 0.863,111 0.863,112 3.742,113 0.908,114 -5.53,115 -5.4,116 -5.04,119 42,120 1,124 1,125 5,142 8,143 4,146 3,147 2,148 1,152 1,158 1,161 1,162 1,163 1,164 1,165 1,166 1,172 9,174 3,175 13,177 1,178 3,180 3,183 10,185 1,186 2,187 11,195 10,198 5,199 14,201 3,202 3,204 3,207 7,209 1,211 3,212 12,217 4,220 4,222 2,223 3,224 15,229 2,232 6,234 2,236 2,237 13,240 1,242 3,245 7,247 2,249 5,250 10,252 3,253 4,255 1,258 7,260 1,262 2,263 9,266 2,267 1,268 1,270 1,271 8,273 1,275 3509,276 27.996,277 27.996,278 27.996,279 27.996,280 27.996,281 24.306,282 28.658,283 16.244,284 28.776,285 23.283,286 23.283,287 23.283,288 23.283,289 23.283,290 17.572,291 41.982,292 7.807,293 24.608,294 4.474,295 2.077,296 1.007,297 0.544,298 0.486,299 0.486,300 4.467,306 1264,307 3.536,310 163.355,311 500.032,314 296.737,315 174.784,318 2.119,319 34.125,322 0.25,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.5,330 88,331 562,332 4.754,333 3.536,334 7.005,335 4.29,336 3.325,337 4.733,338 1.907,339 11.972,340 3.208,341 4.516,342 3.39,343 6.582,344 4.08,345 3.121,346 4.425,347 0.8,348 10.529,349 3.003,350 4.475,351 3.272,352 6.294,353 3.924,354 3.005,355 4.408,356 0.8,357 9.643,358 2.775,359 4.016,360 3.002,361 6.056,362 3.656,363 2.695,364 3.496,365 0.522,366 8.734,367 2.587,368 3.868,369 2.848,370 5.944,371 3.469,372 2.521,373 3.346,374 0.149,375 8.307,376 2.376,377 3.693,378 2.658,379 5.617,380 3.359,381 2.413,382 3.103,384 7.305,385 2.278,386 3.61,387 2.53,388 5.263,389 3.237,390 2.268,391 2.878,393 6.57,394 2.202,395 3.449,396 2.458,397 5.249,398 3.192,399 2.254,400 2.625,402 6.432,403 2.099,404 3.233,405 2.147,406 4.95,407 2.874,408 1.926,409 2.431,411 5.705,412 1.819,413 3.201,414 2.069,415 4.535,416 2.685,417 1.743,418 2.418,420 4.502,421 1.602,422 3.035,423 1.64,424 4.503,425 2.538,426 1.581,427 2.302,428 4.49,429 1.509,430 2.949,431 1.538,432 4.449,433 2.463,434 1.535,435 2.141,436 4.384,437 1.415,438 2.941,439 1.509,440 4.395,441 2.422,442 1.471,443 2.128,445 4.017,446 1.408,447 2.863,448 1.465,449 4.322,450 2.402,451 1.425,452 1.953,454 3.871,455 1.365,456 2.69,457 1.37,458 3.753,459 2.249,460 1.298,461 1.756,463 3.003,464 1.23,465 19.667,466 0.48,467 1.092,468 0.027,469 57.75,470 1.409,471 29,472 0.707,473 28.75,474 0.701,475 38.047,476 0.928,477 42.133,478 0.611,479 48.644,480 1.186,481 11.122,482 0.271,483 8.802,484 0.215,485 0.088,487 0.392,493 0.843,494 1.334,495 0.708,496 0.96,497 0.716,498 0.871,499 0.87,500 0.992,501 0.752,502 0.804,503 0.535,504 0.756,505 1.184,506 1.157,507 1.024,508 1.008,509 1.076,510 0.993,511 0.779,512 0.957,513 0.894,514 0.94,515 0.606,516 0.949,517 0.975,518 1.033,519 1.038,520 1.001,521 0.666,522 0.942,523 0.897,524 1.139,525 0.855,526 0.985,527 0.684,528 1.014,529 0.93,530 1.044,531 0.819,532 0.918,533 0.86,534 0.922,535 0.766,536 1.005,537 1.048,538 1.08,539 0.688,540 1.063,541 8.5,542 0.398,543 4.444,544 3.333,545 2.691,546 1.595,547 1.193,548 0.863,549 0.802,550 0.451,551 28193,552 73669,553 2.19,554 40.6,556 21,558 1,559 3,560 3,564 1.811,565 2.067,566 3.701,567 0.789,573 112.782,574 1.635,575 4.032,576 5.101,577 5.565,578 5.623,579 5.623,580 3.217,581 4.882,582 5.326,583 3.885,584 3185.93,585 9.443,586 53929.7,591 421.488,592 1.352,593 5.298,594 0.181,595 0.007,596 0.064,597 0.047,598 0.039,599 0.023,600 0.016,601 0.012,602 0.011,603 0.007,604 0.408,605 0.17,606 0.5,607 0.72,608 229.924,609 -0.031,610 -0.176,611 0.07,612 -0.017,613 -0.07,614 0.013,615 0.098,616 0.124,617 0.151,618 0.144,619 0.132,620 0.149,621 -0.168,622 -0.095,623 -0.094,624 -0.039,625 -0.112,626 -0.061,627 0.122,628 0.058,629 0.066,630 0.026,631 0.105,632 0.023,633 -0.07,634 -0.003,635 -0.044,636 -0.011,637 -0.001,638 0.027,639 -0.035,640 -0.11,641 -0.004,642 -0.066,643 0.007,644 -0.065,645 -0.01,646 -0.053,647 0.096,648 0.029,649 -0.027,650 0.055,651 0.088,652 0.005,653 -0.072,654 -0.09,655 0.022,656 -0.08,657 1.821,658 4.532,659 0.829,660 47.165,661 1.005,662 1.128,663 4.299,664 18.48,665 0.696,666 3.871,667 4.248,668 4.575,669 4.927,670 5.226,671 5.403,672 5.642,673 5.875,674 6.073,675 6.244,676 7.979,677 0.665,678 564.74,679 3.871,680 5.451,681 6.333,682 7.245,683 8.147,684 9.065,685 9.977,686 10.898,687 11.815,688 12.738,689 14.5,692 1,693 1,695 1,696 1,697 1,699 5,703 6,704 9,705 5,708 1,709 6,710 1,711 31,722 1,726 1,731 69,733 32,734 2,735 47,737 75,738 29,739 21,740 5,741 7,746 7,747 10,752 1,761 22,762 7,766 1,771 1,775 1,781 28,782 10,783 3,784 12,785 1,790 10,794 0.571,795 1,803 1,805 1,806 1,811 2,812 5,815 2,816 1,826 1,836 1,840 4,842 1,844 2,848 41,849 1,854 5,855 1,859 2,863 1,870 1.4,873 1,877 19.833,878 13.267,879 8.667,880 4.08,881 6.456,882 1.674,883 1.058,884 6.68,885 16.034,886 4.167,887 4.86,888 5.534,889 6.236,890 6.851,891 7.313,892 7.862,893 8.412,894 8.867,895 9.326,896 1,897 71,898 15.137,900 6.604,901 7.634,902 29.187,904 24.737,905 2.134,906 87.5,910 294.278,911 174.341,912 142.738,914 25.145,916 31.278,917 143.063,918 319.422,919 142.738,920 17.222,921 28.539,922 108.707,923 127.141,924 35.707,925 5.402,926 313.784,928 294.278,929 285.801,930 25.145,931 31.278,933 294.278,934 25.145,937 60.145,938 141.851,939 83.805,940 31.278,941 294.278,942 167.883,943 174.341,946 294.278,947 72.691,948 109.675,949 18.011,950 141.847,951 294.278,952 167.883,953 174.341,955 0.592,956 0.343,957 0.197,958 0.114,959 37,960 16,961 0.067,962 5,963 3,964 1.176,965 4.943,966 455.736,967 0.176,968 34,969 215.66,970 1,974 26.056,975 10.511,976 4.958,977 5.146,978 166.107,979 17.797,980 23.564,983 1.415,984 4.541,985 1.896,986 50.908,987 636.502,988 63.5,993 11.532,997 -0.155,999 69.374,1000 77.849,1001 0.268,1002 0.66,1003 0.835,1004 0.911,1005 0.92,1006 0.92,1007 5.428,1008 2.254,1009 6.337,1010 6.57,1011 4.934,1012 5.549,1013 2.253,1014 7.195,1015 4.83,1016 6.666,1017 1.926,1018 7.919,1019 6.432,1020 4.575,1021 5.485,1022 1.738,1023 8.15,1024 4.424,1025 8,1026 1.743,1027 9.598,1028 5.705,1029 6.572,1030 7.872,1031 2.961,1032 11.294,1033 6.373,1034 9.37,1035 1.581,1036 11.336,1037 4.502,1038 7.022,1039 8.656,1040 3.061,1041 13.099,1042 6.778,1043 10.773,1044 1.535,1045 13.111,1046 4.49,1047 8.501,1048 10.526,1049 4.048,1050 15.763,1051 8.216,1052 12.201,1053 1.471,1054 14.914,1055 4.384,1056 9.331,1057 11.712,1058 4.414,1059 17.934,1060 9.003,1061 13.649,1062 1.425,1063 16.737,1064 4.017,1065 10.607,1066 13.373,1067 5.252,1068 20.44,1069 10.241,1070 3.325,1071 1.298,1072 18.577,1073 3.871,1074 11.617,1075 14.745,1076 5.75,1077 22.769,1078 11.211,1079 3.121,1080 11.972,1081 20.429,1082 3.003,1083 12.816,1084 16.321,1085 6.502,1086 25.229,1087 12.374,1088 3.005,1089 10.529,1090 22.292,1091 4.733,1092 13.91,1093 17.779,1094 7.068,1095 27.629,1096 13.43,1097 2.695,1098 9.643,1099 24.164,1100 4.425,1101 15.083,1102 19.322,1103 7.771,1104 30.081,1105 14.568,1106 2.521,1107 8.734,1108 26.044,1109 4.408,1110 16.217,1111 20.817,1112 8.374,1113 32.514,1114 15.666,1115 2.413,1116 8.307,1117 27.931,1118 3.496,1119 17.384,1120 22.349,1121 9.051,1122 34.968,1123 16.8,1124 2.268,1125 7.305,1126 29.823,1127 3.346,1128 18.538,1129 23.862,1130 9.674,1131 37.419,1132 17.919,1133 25686,1134 41823,1135 32.134,1136 48.012,1137 72.523,1138 72.717,1139 73.944,1140 71.913,1141 71.883,1142 96.902,1143 8.355,1144 215.735,1145 68.102,1146 5.754,1147 5.536,1148 6.689,1149 5.413,1150 5.325,1151 7.733,1152 3.306,1153 19.379,1154 5.208,1155 18.238,1156 1.543,1157 1.547,1158 1.573,1159 1.53,1160 1.529,1161 2.062,1162 0.178,1163 4.59,1164 1.449,1165 4.177,1166 4.216,1167 4.33,1168 4.096,1169 7.43,1170 4.086,1171 4.058,1172 4.086,1173 4.106,1174 4.002,1175 5.26,1176 3.995,1177 3.973,1178 4.005,1179 4.002,1180 3.86,1181 4.991,1182 3.867,1183 3.805,1184 3.877,1185 3.692,1186 3.617,1187 4.955,1188 3.626,1189 3.58,1190 3.626,1191 3.535,1192 3.406,1193 4.837,1194 3.403,1195 3.524,1196 3.583,1197 3.439,1198 3.38,1199 4.516,1200 3.389,1201 3.332,1202 3.403,1203 3.371,1204 3.192,1205 4.44,1206 3.173,1207 3.232,1208 3.301,1209 3.207,1210 3.001,1211 4.278,1212 3.025,1213 0.101,1214 0.075,1215 0.149,1216 0.091,1217 0.071,1218 4.754,1219 0.101,1220 3.536,1221 0.041,1222 7.005,1223 0.255,1224 4.29,1225 0.068,1226 3.325,1227 4.733,1228 1.907,1229 11.972,1230 3.208,1231 2.047,1232 2.021,1233 2.125,1234 2.149,1235 1.32,1236 2.143,1237 1.947,1238 1.931,1239 1.995,1240 2.026,1241 1.215,1242 2.018,1243 1.781,1244 1.739,1245 1.969,1246 1.975,1247 1.167,1248 1.98,1249 1.757,1250 1.688,1251 1.837,1252 1.948,1253 0.979,1254 1.926,1255 1.541,1256 1.49,1257 1.728,1258 1.781,1259 0.825,1260 1.764,1261 1.524,1262 1.482,1263 1.688,1264 1.721,1265 0.816,1266 1.712,1267 1.267,1268 1.203,1269 1.54,1270 1.526,1271 0.738,1272 1.522,1273 1.193,1274 1.167,1275 1.513,1276 1.395,1277 0.647,1278 1.429,1279 4.554,1281 5.916,1282 3.045,1283 7.468,1284 5.476,1285 9.11,1286 7.644,1287 10.801,1289 3.622,1293 6.42,1295 4.253,1296 2.767,1300 4.7,1305 45.857,1306 112.782,1307 278.204,1308 351.978,1309 383.978,1310 387.978,1311 387.978,1312 59.254,1313 9.578,1314 130.98,1315 159.22,1316 40,1317 13.246,1318 5.044,1319 4.129,1320 54.007,1321 193,1322 227,1323 0.133,1324 279.281,1325 458.68,1326 673.206,1327 241409,1329 28.087,1330 0.685,1331 0.574,1332 28.44,1333 23.52,1334 19.924,1335 0.424,1336 0.303,1337 13.27,1338 18.687,1339 12.866,1340 10.609,1341 20.332,1342 14.221,1343 18.825,1344 0.273,1345 0.164,1346 19.494,1347 11.331,1348 16.01,1349 0.167,1350 0.087,1351 16.745,1352 8.34,1353 14.356,1354 0.105,1355 0.046,1356 15.298,1357 6.289,1358 12.305,1359 0.067,1360 0.024,1361 13.044,1362 4.502,1363 0.208,1364 128.88,1365 0.176,1366 36.114,1367 0.372,1368 232,1369 635.402,1370 280.488,1371 646.103,1372 910.24,1373 608,1374 281,1375 685.785,1376 326.496,1377 711.712,1378 1053.34,1379 670,1380 6.103}
{0 CHEMBL1213118,1 1.565,2 12.316,3 4.007,4 16.057,5 154.005,6 8.167,7 0.705,8 4.299,9 4.429,10 3.991,11 3.869,12 5.408,13 3.849,14 4.829,15 5.008,16 4.416,17 4.294,18 5.882,19 4.26,20 5.042,21 5.235,22 4.429,23 4.436,24 6.045,25 4.372,26 5.162,27 5.395,28 4.396,29 4.447,30 6.135,31 4.362,32 5.127,33 5.357,34 4.386,35 4.422,36 6.078,37 4.347,38 5.148,39 5.367,40 4.463,41 4.469,42 6.125,43 4.398,44 5.216,45 5.45,46 4.52,47 4.511,48 6.179,49 4.436,50 5.194,51 5.414,52 4.45,53 4.506,54 6.218,55 4.414,56 0.075,57 1.114,58 12.075,59 5.186,60 12.756,61 6.505,62 0.341,63 1.824,64 24.812,65 8.682,66 24.664,67 11.332,68 0.281,69 2.145,70 32.359,71 11.816,72 28.223,73 15.267,74 0.494,75 2.293,76 37.77,77 13.282,78 47.385,79 18.061,80 0.416,81 2.22,82 36.732,83 12.489,84 40.985,85 17.119,86 0.377,87 2.311,88 35.683,89 12.584,90 40.789,91 17.153,92 0.456,93 2.43,94 41.224,95 13.723,96 44.045,97 19.064,98 0.52,99 2.412,100 40.639,101 14.376,102 51.597,103 18.822,104 10,105 65,106 0.244,107 0.612,108 0.763,109 0.85,110 0.86,111 0.86,112 3.669,113 0.907,114 -5.52,115 -5.4,116 -5.04,119 42.2,124 1,125 5,142 8,143 4,146 3,147 2,148 1,152 1,161 1,162 1,163 2,164 2,165 2,166 1,172 9,174 3,175 12,177 2,178 2,180 2,183 10,185 2,186 2,187 11,195 10,198 4,199 12,201 3,202 3,204 3,207 6,209 3,211 3,212 12,217 4,220 4,222 4,223 3,224 13,229 2,232 4,234 2,236 2,237 11,239 1,240 1,242 3,245 5,247 3,249 5,250 10,252 4,253 4,255 1,258 7,260 1,262 1,263 7,265 2,266 2,267 1,268 1,270 2,271 7,273 1,274 1,275 2756,276 26.135,277 26.135,278 26.135,279 26.135,280 26.135,281 22.599,282 24.981,283 15.087,284 26.951,285 21.783,286 21.783,287 21.783,288 21.783,289 21.783,290 16.349,291 34.723,292 7.236,293 23.145,294 4.435,295 2.072,296 1.106,297 0.543,298 0.481,299 0.481,300 4.397,306 1066,307 2.915,310 146.503,311 449.523,314 264.073,315 158.047,318 1.701,319 28.273,322 0.5,323 0.5,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.6,330 81,331 468,332 4.754,333 3.39,334 7.005,335 4.29,336 3.325,337 4.733,338 0.8,339 11.972,340 3.208,341 4.515,342 3.272,343 6.582,344 4.08,345 3.12,346 4.421,347 0.8,348 10.528,349 3.003,350 4.465,351 3.007,352 6.277,353 3.908,354 2.985,355 4.407,356 0.522,357 9.56,358 2.767,359 4.015,360 2.848,361 6.056,362 3.656,363 2.695,364 3.495,366 8.733,367 2.587,368 3.84,369 2.657,370 5.937,371 3.432,372 2.486,373 3.328,375 8.266,376 2.341,377 3.69,378 2.528,379 5.613,380 3.343,381 2.397,382 3.102,384 7.278,385 2.261,386 3.449,387 2.453,388 5.26,389 3.192,390 2.265,391 2.63,393 6.437,394 2.099,395 3.31,396 2.144,397 4.95,398 2.875,399 1.932,400 2.622,402 5.706,403 1.819,404 3.233,405 2.005,406 4.818,407 2.8,408 1.907,409 2.418,411 5.333,412 1.674,413 3.035,414 1.64,415 4.519,416 2.538,417 1.581,418 2.302,420 4.5,421 1.509,422 2.958,423 1.537,424 4.503,425 2.463,426 1.535,427 2.171,428 4.439,429 1.416,430 2.941,431 1.505,432 4.449,433 2.423,434 1.48,435 2.129,436 4.034,437 1.409,438 2.863,439 1.46,440 4.353,441 2.406,442 1.426,443 1.954,445 3.883,446 1.369,447 2.69,448 1.37,449 3.753,450 2.249,451 1.298,452 1.756,454 3.003,455 1.231,456 2.464,457 1.146,458 3.623,459 1.967,460 1.02,461 1.45,463 2.572,464 0.965,465 18.333,466 0.482,467 0.986,468 0.026,469 54.25,470 1.428,471 27.5,472 0.724,473 26.75,474 0.704,475 33.879,476 0.892,477 38.667,478 0.604,479 44.012,480 1.158,481 10.378,482 0.273,483 8.152,484 0.215,485 0.071,487 0.393,493 0.982,494 1.276,495 0.718,496 0.909,497 1.086,498 0.837,499 1.017,500 0.968,501 0.765,502 0.789,503 0.6,504 0.746,505 1.06,506 1.183,507 1.021,508 1.077,509 0.797,510 1.02,511 0.943,512 0.946,513 0.886,514 0.916,515 0.838,516 0.977,517 1.046,518 1.017,519 0.865,520 0.904,521 0.874,522 0.933,523 1.038,524 1.111,525 0.847,526 0.948,527 0.946,528 0.983,529 0.959,530 1.019,531 0.782,532 0.878,533 0.831,534 0.874,535 0.893,536 0.999,537 1.082,538 1.092,539 0.927,540 1.073,541 7.5,542 0.267,543 4.444,544 3.083,545 2.566,546 1.324,547 1.111,548 0.781,549 0.777,550 0.406,551 22888,552 57099,553 2.222,554 40.6,556 21,558 1,559 4,564 1.794,565 2.111,566 3.565,567 1.501,573 100.187,574 1.565,575 3.928,576 4.894,577 5.457,578 5.519,579 5.519,580 3.01,581 4.985,582 5.22,583 3.716,584 2612.15,585 9.235,586 41501.5,591 384,592 1.306,593 5.194,594 0.17,595 0.006,596 0.068,597 0.046,598 0.041,599 0.021,600 0.017,601 0.011,602 0.012,603 0.007,604 0.399,606 0.63,607 0.427,608 206.966,609 -0.047,610 -0.125,611 0.068,612 0.018,613 -0.147,614 0.035,615 0.057,616 0.143,617 0.136,618 0.155,619 0.158,620 0.151,621 -0.093,622 -0.131,623 -0.098,624 -0.105,625 0.006,626 -0.08,627 0.069,628 0.042,629 -0.001,631 0.076,632 -0.016,633 -0.039,634 -0.026,635 0.021,636 0.015,637 0.006,638 0.028,639 -0.033,640 -0.102,641 0.017,642 -0.037,643 -0.035,644 -0.037,645 0.032,646 -0.038,647 0.14,648 0.065,649 0.049,650 0.101,651 0.106,652 0.017,653 -0.107,654 -0.109,655 0.057,656 -0.109,657 1.268,658 2.393,659 0.895,660 38.604,661 1.003,662 1.129,663 4.292,664 18.418,665 0.7,666 3.807,667 4.19,668 4.533,669 4.883,670 5.182,671 5.338,672 5.58,673 5.823,674 6.006,675 6.163,676 7.26,677 0.666,678 522.7,679 3.807,680 5.389,681 6.279,682 7.192,683 8.099,684 9.018,685 9.932,686 10.854,687 11.773,688 12.696,689 15.6,692 1,693 2,695 1,697 1,699 5,703 6,704 9,705 5,708 1,709 6,710 1,711 31,722 2,726 1,731 64,733 31,734 2,735 44,737 70,738 27,739 21,740 5,741 7,746 7,747 10,761 21,762 6,781 26,782 9,783 4,784 11,785 1,790 10,794 0.571,803 1,805 1,806 1,811 2,812 5,815 2,816 1,836 1,840 4,842 1,844 1,848 38,849 2,854 5,859 2,863 1,877 18,878 11.933,879 8,880 3.747,881 6.325,882 1.677,883 1.08,884 5.785,885 15.663,886 4.103,887 4.812,888 5.51,889 6.209,890 6.822,891 7.264,892 7.812,893 8.37,894 8.811,895 9.256,896 1,897 67,898 14.014,900 6.147,901 7.561,902 27.195,904 23.304,905 2.061,906 78.333,910 258.964,911 160.811,912 157.625,916 31.278,917 129.533,918 258.964,919 157.625,920 8.396,921 10.529,922 141.604,923 97.292,924 35.707,925 5.402,926 278.471,928 258.964,929 287.158,931 31.278,933 258.964,937 33.309,938 170.044,939 83.805,940 31.278,941 258.964,942 157.625,943 160.811,946 258.964,947 67.986,948 100.85,950 149.6,951 258.964,952 157.625,953 160.811,955 0.594,956 0.354,957 0.202,958 0.117,959 36,960 15,961 0.057,962 4,963 3,964 1.176,965 4.723,966 417.059,967 0.176,968 34,969 195.421,970 1,974 23.563,975 9.33,976 4.234,977 5.366,978 155.848,979 17.957,980 23.412,983 1.451,984 4.675,985 1.916,986 65.794,987 577.4,988 59.5,999 64.163,1000 72.225,1001 0.261,1002 0.655,1003 0.816,1004 0.909,1005 0.92,1006 0.92,1007 5.365,1008 1.932,1009 6.282,1010 6.437,1011 4.875,1012 5.501,1013 1.242,1014 7.148,1015 4.764,1016 6.606,1017 1.907,1018 7.869,1019 5.706,1020 4.511,1021 5.434,1022 0.57,1023 8.113,1024 4.344,1025 7.943,1026 1.581,1027 9.553,1028 5.333,1029 6.521,1030 7.843,1031 0.727,1032 11.262,1033 6.315,1034 9.317,1035 1.535,1036 11.296,1037 4.5,1038 6.976,1039 8.631,1040 0.479,1041 13.077,1042 6.722,1043 10.725,1044 1.48,1045 13.076,1046 4.439,1047 8.46,1048 10.509,1049 0.458,1050 15.743,1051 8.173,1052 12.158,1053 1.426,1054 14.883,1055 4.034,1056 9.297,1057 11.699,1058 0.346,1059 17.919,1060 8.966,1061 13.611,1062 1.298,1063 16.71,1064 3.883,1065 10.575,1066 13.363,1067 0.299,1068 20.427,1069 10.212,1070 3.325,1071 1.02,1072 18.553,1073 3.003,1074 11.591,1075 14.738,1076 0.237,1077 22.759,1078 11.187,1079 3.12,1080 11.972,1081 20.408,1082 2.572,1083 12.79,1084 16.315,1085 0.197,1086 25.22,1087 12.354,1088 2.985,1089 10.528,1090 22.274,1091 4.733,1092 13.888,1093 17.773,1094 0.158,1095 27.622,1096 13.415,1097 2.695,1098 9.56,1099 24.149,1100 4.421,1101 15.061,1102 19.317,1103 0.13,1104 30.074,1105 14.555,1106 2.486,1107 8.733,1108 26.03,1109 4.407,1110 16.198,1111 20.812,1112 0.104,1113 32.508,1114 15.656,1115 2.397,1116 8.266,1117 27.918,1118 3.495,1119 17.365,1120 22.344,1121 0.085,1122 34.963,1123 16.791,1124 2.265,1125 7.278,1126 29.812,1127 3.328,1128 18.521,1129 23.857,1130 0.068,1131 37.414,1132 17.912,1133 20565,1134 32768,1135 30.342,1136 44.796,1137 68.112,1138 67.541,1139 69.432,1140 67.66,1141 67.586,1142 91.55,1143 4.243,1144 204.15,1145 63.731,1146 5.754,1147 5.39,1148 6.689,1149 5.393,1150 5.325,1151 7.733,1152 1.322,1153 19.379,1154 5.208,1155 14.772,1156 1.548,1157 1.535,1158 1.578,1159 1.538,1160 1.536,1161 2.081,1162 0.096,1163 4.64,1164 1.448,1165 4.175,1166 4.215,1167 4.326,1168 4.094,1169 5.264,1170 4.085,1171 4.057,1172 4.086,1173 4.106,1174 4.002,1175 5.173,1176 3.995,1177 3.968,1178 4,1179 4.002,1180 3.859,1181 4.98,1182 3.865,1183 3.804,1184 3.877,1185 3.691,1186 3.617,1187 4.863,1188 3.626,1189 3.524,1190 3.583,1191 3.485,1192 3.403,1193 4.709,1194 3.401,1195 3.398,1196 3.455,1197 3.439,1198 3.304,1199 4.491,1200 3.269,1201 3.267,1202 3.357,1203 3.211,1204 3.005,1205 4.434,1206 3.036,1207 3.144,1208 3.237,1209 2.998,1210 2.941,1211 4.266,1212 2.931,1213 0.108,1214 0.077,1215 0.159,1216 0.097,1217 0.076,1218 4.754,1219 0.108,1220 3.39,1221 0.018,1222 7.005,1223 0.272,1224 4.29,1225 0.073,1226 3.325,1227 4.733,1228 0.8,1229 11.972,1230 3.208,1231 2.047,1232 2.021,1233 2.125,1234 2.149,1235 1.32,1236 2.143,1237 1.947,1238 1.931,1239 1.995,1240 2.026,1241 1.215,1242 2.018,1243 1.781,1244 1.739,1245 1.969,1246 1.975,1247 1.167,1248 1.98,1249 1.757,1250 1.688,1251 1.837,1252 1.948,1253 0.979,1254 1.926,1255 1.54,1256 1.49,1257 1.688,1258 1.725,1259 0.825,1260 1.714,1261 1.337,1262 1.305,1263 1.54,1264 1.558,1265 0.816,1266 1.555,1267 1.261,1268 1.201,1269 1.513,1270 1.515,1271 0.647,1272 1.518,1273 1.153,1274 1.064,1275 1.389,1276 1.383,1277 0.443,1278 1.429,1279 4.489,1281 5.855,1282 3.045,1283 7.415,1284 5.476,1285 9.065,1286 7.636,1287 10.762,1289 2.158,1293 12.335,1295 4.344,1300 4.72,1305 42.615,1306 100.187,1307 251.365,1308 313.245,1309 349.245,1310 353.245,1311 353.245,1312 49.614,1313 9.338,1314 127.9,1315 156.14,1316 40,1317 13.203,1318 5,1319 4.044,1320 48.286,1321 164,1322 177,1323 0.141,1324 259.028,1325 417.93,1326 623.787,1327 179278,1329 25.802,1330 0.679,1331 0.571,1332 26.156,1333 21.689,1334 18.53,1335 0.421,1336 0.302,1337 12.376,1338 17.37,1339 12.031,1340 9.899,1341 18.938,1342 13.306,1343 17.435,1344 0.268,1345 0.165,1346 18.163,1347 10.715,1348 15.343,1349 0.167,1350 0.087,1351 16.029,1352 7.987,1353 13.674,1354 0.104,1355 0.045,1356 14.446,1357 5.925,1358 11.848,1359 0.067,1360 0.024,1361 12.486,1362 4.272,1363 0.217,1364 119.82,1365 0.182,1366 33.771,1367 0.399,1368 218,1369 562.646,1370 263.247,1371 580.999,1372 828.74,1373 548,1374 266,1375 632.74,1376 307.498,1377 660.012,1378 979.78,1379 622,1380 6.863}
{0 CHEMBL1213119,1 1.489,2 8.19,3 1.866,4 3.482,5 82.97,6 7.953,7 0.696,8 3.675,9 3.811,10 3.304,11 3.206,12 4.89,13 3.207,14 4.141,15 4.332,16 3.641,17 3.544,18 5.291,19 3.534,20 4.289,21 4.5,22 3.661,23 3.615,24 5.433,25 3.591,26 4.311,27 4.547,28 3.587,29 3.575,30 5.489,31 3.528,32 4.158,33 4.37,34 3.358,35 3.494,36 5.256,37 3.424,38 4.071,39 4.26,40 3.336,41 3.427,42 5.226,43 3.356,44 4.163,45 4.416,46 3.228,47 3.332,48 5.246,49 3.257,50 4.028,51 4.293,52 3.105,53 3.211,54 5.079,55 3.122,56 0.053,57 0.589,58 6.254,59 2.558,60 9.081,61 3.372,62 0.161,63 0.887,64 11.725,65 4.117,66 19.124,67 5.71,68 0.169,69 0.99,70 14.243,71 4.568,72 20.611,73 6.481,74 0.277,75 0.972,76 15.543,77 4.997,78 34.217,79 7.152,80 0.15,81 0.834,82 12.415,83 4.28,84 23.54,85 5.934,86 0.082,87 0.783,88 10.628,89 4.242,90 18.882,91 5.836,92 0.213,93 0.796,94 13.823,95 3.943,96 30.122,97 5.77,98 0.205,99 0.679,100 12.5,101 4,102 25.373,103 5.851,104 11,105 32,106 0.268,107 0.687,108 0.803,109 0.823,110 0.823,111 0.823,112 3.104,113 0.857,114 -3.76,115 -3.73,116 -3.54,119 42.9,120 2,127 1,141 2,142 2,143 2,145 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 9,177 1,178 1,180 1,183 5,185 1,186 1,187 6,195 3,198 2,199 7,201 3,202 3,204 1,207 4,209 1,212 4,217 1,220 3,222 1,223 1,224 7,229 3,232 3,234 3,236 1,237 3,242 1,245 2,247 1,249 2,250 2,252 1,253 1,255 1,258 2,260 1,263 2,271 2,275 568,276 14.19,277 14.19,278 14.19,279 14.19,280 14.19,281 12.085,282 13.876,283 8.445,284 14.52,285 11.356,286 11.356,287 11.356,288 11.356,289 11.356,290 8.154,291 12.188,292 3.994,293 11.874,294 3.64,295 1.315,296 0.672,297 0.557,298 0.557,299 0.557,300 3.783,303 1,304 1,305 1,306 368,307 2.828,310 41.972,311 115.912,314 79.565,318 1.152,319 15.845,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 45,331 172,332 4.739,333 3.425,334 6.965,335 4.251,336 3.292,337 4.714,339 11.795,340 3.157,341 4.127,342 2.927,343 6.011,344 3.528,345 2.551,346 3.614,348 8.25,349 2.504,350 3.802,351 2.681,352 5.363,353 3.462,354 2.498,355 3.206,357 7.001,358 2.392,359 3.606,360 2.388,361 5.131,362 3.013,363 2.066,364 2.934,366 6.002,367 1.953,368 3.152,369 1.814,370 4.812,371 2.677,372 1.738,373 2.258,375 4.814,376 1.629,377 3.019,378 1.63,379 3.908,380 2.46,381 1.501,382 2.137,384 3.183,385 1.437,386 2.764,387 1.3,388 3.654,389 2.15,390 1.218,391 1.795,393 2.901,394 1.133,395 2.545,396 1,397 3.522,398 1.956,399 1,400 1.5,402 2.263,403 0.954,404 2.5,405 0.927,406 3.247,407 1.869,408 0.894,409 1.227,411 2.136,412 0.87,413 2.137,414 0.62,415 3.091,416 1.506,417 0.535,418 0.896,420 1.27,421 0.518,422 1.063,423 0.057,424 2.457,425 0.642,426 -0.279,427 -0.351,428 -0.651,429 -0.256,430 0.865,431 -0.225,432 2.361,433 0.463,434 -0.494,435 -0.634,436 -1.207,437 -0.473,438 0.692,439 -0.767,440 2.247,441 0.114,442 -0.825,443 -1,445 -2,446 -0.769,447 0.5,448 -0.884,449 1.945,451 -1,452 -1.143,454 -2.162,455 -0.972,456 0.309,457 -1,458 1.67,459 -0.025,460 -1,461 -1.5,463 -2.347,464 -1,465 9.9,466 0.471,467 0.507,468 0.024,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 13.952,476 0.664,477 21.3,478 0.609,479 19.895,480 0.947,481 5.949,482 0.283,483 4.216,484 0.201,485 0.141,487 0.343,493 0.898,494 1.284,495 0.736,496 1.003,497 1.048,498 0.873,499 0.884,500 1.049,501 0.703,502 0.834,503 0.662,504 0.757,505 1.186,506 1.168,507 0.889,508 0.922,509 0.868,510 0.869,511 0.916,512 0.832,513 0.882,514 0.834,515 0.883,516 0.85,517 1.269,518 1.025,519 1.204,520 1.061,521 1.108,522 1.111,523 0.854,524 1.363,525 1.136,526 1.413,527 1.154,528 1.337,529 1.42,530 1.008,531 1.199,532 0.974,533 1.656,534 1.037,535 0.879,536 0.787,537 0.961,538 0.89,539 0.884,540 0.93,541 3.5,542 0.025,543 2.222,544 1.792,545 1.259,546 0.545,547 0.416,548 0.257,549 0.134,550 0.082,551 4154,552 11391,553 2.074,554 40,556 3,558 3,559 2,561 6,564 1.635,565 1.938,566 3.024,567 0.378,569 1,571 1,573 52.109,574 1.489,575 3.815,576 4.458,577 4.572,578 4.572,579 4.572,580 2.398,581 4.107,582 4.363,583 3.165,584 664.747,585 7.492,586 7004.63,587 1,588 1,590 1,591 179.525,592 1.418,593 4.322,594 0.152,595 0.008,596 0.069,597 0.056,598 0.043,599 0.024,600 0.019,601 0.014,602 0.008,603 0.008,604 0.402,605 0.67,606 1,607 0.819,608 93.844,609 0.008,610 -0.132,611 0.048,612 -0.046,613 -0.163,614 -0.002,615 0.138,616 0.028,617 0.189,618 0.112,619 0.175,620 0.15,621 -0.118,622 -0.122,623 0.038,624 0.011,625 0.022,626 0.043,627 0.172,628 0.175,629 0.093,630 0.107,631 0.214,632 0.091,633 -0.322,635 -0.296,636 -0.097,637 -0.202,638 -0.175,639 -0.03,640 -0.342,641 -0.265,642 -0.425,643 -0.191,644 -0.391,645 -0.258,646 -0.024,647 -0.195,648 -0.057,649 -0.377,650 -0.105,651 0.138,652 0.144,653 0.065,654 0.08,655 0.164,656 0.064,657 1.276,658 1.955,659 0.714,660 15.478,661 1.004,662 1.133,663 2.533,664 6.417,665 0.688,666 3.178,667 3.497,668 3.784,669 4.078,670 4.277,671 4.304,672 4.344,673 4.419,674 4.344,675 4.317,676 5.07,677 0.664,678 278.35,679 3.178,680 4.71,681 5.565,682 6.45,683 7.331,684 8.228,685 9.119,686 10.022,687 10.92,688 11.827,689 17.1,693 1,697 1,699 4,703 2,704 5,705 4,709 3,710 1,711 16,722 1,731 35,733 17,735 23,737 37,738 15,739 10,746 3,747 4,752 2,758 1,760 2,761 10,762 3,777 1,778 1,781 14,782 5,783 2,784 6,790 6,794 0.667,803 1,805 1,806 1,811 1,812 2,815 1,819 2,840 2,844 2,848 21,849 1,858 1,861 1,868 2,877 10.833,878 7.083,879 4.639,880 2.087,881 4.004,882 1.591,883 0.992,884 3.453,885 10.773,886 3.526,887 4.171,888 4.87,889 5.54,890 6.115,891 6.493,892 6.942,893 7.403,894 7.698,895 8.084,896 1,897 32,898 7.663,900 3.174,901 7.722,902 14.47,904 11.43,905 2.222,906 46.667,910 141.253,911 109.936,912 101.693,917 109.936,918 141.253,919 101.693,920 17.65,922 51.85,923 104.048,924 37.005,925 36.389,926 105.94,928 141.253,929 211.629,933 70.627,934 70.627,937 50.612,938 59.936,939 101.081,941 141.253,942 101.693,943 109.936,946 141.253,947 12.559,948 65.093,949 34.061,950 99.917,951 141.253,952 101.693,953 109.936,955 0.579,956 0.341,957 0.192,958 0.107,959 16,960 7,961 0.027,962 1,963 1,964 1.133,965 3.317,966 162.351,967 0.133,968 15,969 90.239,974 13.389,975 5.416,976 2.529,977 1.399,978 99.917,979 8.582,980 16.835,984 1.795,985 1.806,986 32.897,987 352.883,988 33,999 35.145,1000 39.651,1001 0.29,1002 0.744,1003 0.869,1004 0.891,1005 0.891,1006 0.891,1007 4.754,1008 1,1009 5.549,1010 2.901,1011 4.174,1012 4.856,1014 6.382,1015 4.09,1016 5.999,1017 0.894,1018 7.119,1019 2.263,1020 3.761,1021 4.62,1023 7.365,1024 3.648,1025 7.325,1026 0.535,1027 8.797,1028 2.136,1029 5.771,1030 7.166,1032 10.512,1033 5.609,1034 8.694,1035 -0.279,1036 10.541,1037 1.27,1038 6.217,1039 7.848,1041 12.397,1042 6.022,1043 10.098,1044 -0.494,1045 12.329,1046 -0.651,1047 7.702,1048 9.812,1050 15.075,1051 7.463,1052 11.529,1053 -0.825,1054 14.15,1055 -1.207,1056 8.55,1057 10.95,1059 17.321,1060 8.273,1061 12.982,1062 -1,1063 15.993,1064 -2,1065 9.834,1066 12.664,1068 19.853,1069 9.514,1070 3.292,1071 -1,1072 17.855,1073 -2.162,1074 10.87,1075 14.026,1077 22.237,1078 10.507,1079 2.551,1080 11.795,1081 19.731,1082 -2.347,1083 12.082,1084 15.637,1086 24.724,1087 11.677,1088 2.498,1089 8.25,1090 21.619,1091 4.714,1092 13.203,1093 17.103,1095 27.16,1096 12.753,1097 2.066,1098 7.001,1099 23.516,1100 3.614,1101 14.392,1102 18.673,1104 29.632,1105 13.899,1106 1.738,1107 6.002,1108 25.421,1109 3.206,1110 15.55,1111 20.186,1113 32.088,1114 15.013,1115 1.501,1116 4.814,1117 27.331,1118 2.934,1119 16.736,1120 21.742,1122 34.556,1123 16.155,1124 1.218,1125 3.183,1126 29.247,1127 2.258,1128 17.911,1129 23.275,1131 37.019,1132 17.286,1133 4079,1134 6888,1135 15.315,1136 24.08,1137 36.085,1138 34.728,1139 35.754,1140 34.614,1141 34.584,1142 48.563,1144 99.23,1145 33.093,1146 5.376,1147 5.425,1148 6.766,1149 5.324,1150 5.292,1151 7.714,1153 19.084,1154 5.112,1155 9.517,1156 1.569,1157 1.51,1158 1.555,1159 1.505,1160 1.504,1161 2.111,1163 4.314,1164 1.439,1165 4.111,1166 4.162,1167 4.097,1168 3.956,1169 5.268,1170 3.985,1171 3.856,1172 3.896,1173 3.804,1174 3.756,1175 4.982,1176 3.764,1177 3.578,1178 3.655,1179 3.445,1180 3.412,1181 4.855,1182 3.403,1183 3.319,1184 3.374,1185 3.269,1186 3.19,1187 4.6,1188 3.206,1189 3.054,1190 3.152,1191 2.945,1192 2.824,1193 4.377,1194 2.847,1195 2.949,1196 3.031,1197 2.839,1198 2.676,1199 4.023,1200 2.71,1201 2.874,1202 3.009,1203 2.622,1204 2.618,1205 3.798,1206 2.57,1207 2.759,1208 2.846,1209 2.499,1210 2.557,1211 3.669,1212 2.563,1213 0.206,1214 0.149,1215 0.303,1216 0.185,1217 0.143,1218 4.739,1219 0.205,1220 3.425,1222 6.965,1223 0.513,1224 4.251,1225 0.137,1226 3.292,1227 4.714,1229 11.795,1230 3.157,1231 1.875,1232 1.847,1233 1.957,1234 2.026,1235 1.147,1236 2,1237 1.811,1238 1.766,1239 1.943,1240 1.96,1241 0.954,1242 1.958,1243 1.644,1244 1.579,1245 1.807,1246 1.846,1247 0.877,1248 1.843,1249 1.306,1250 1.261,1251 1.417,1252 1.481,1253 0.469,1254 1.463,1255 0.966,1256 0.889,1257 1.395,1258 1.283,1259 0.284,1260 1.308,1261 0.934,1262 0.804,1263 1.198,1264 1.239,1265 0.153,1266 1.271,1267 0.815,1268 0.74,1269 1.077,1270 1.104,1271 0.031,1272 1.093,1273 0.756,1274 0.659,1275 0.99,1276 1.007,1278 1.026,1279 3.85,1281 5.165,1282 2.398,1283 6.681,1284 4.844,1285 8.292,1286 7.066,1287 9.955,1289 4.062,1293 5.955,1299 0.163,1304 6.071,1305 23.236,1306 52.109,1307 133.509,1308 156.015,1309 160.015,1310 160.015,1311 160.015,1312 25.63,1313 6.77,1314 82.51,1315 82.51,1316 17,1317 12.346,1318 4.17,1319 3.459,1320 32.072,1321 62,1322 66,1323 0.255,1324 146.895,1325 240.52,1326 350.183,1327 6928,1329 14.82,1330 0.706,1331 0.561,1332 14.82,1333 11.778,1334 10.165,1335 0.442,1336 0.286,1337 6.477,1338 9.764,1339 6.261,1340 5.275,1341 10.165,1342 6.573,1343 9.134,1344 0.285,1345 0.151,1346 9.134,1347 4.836,1348 7.544,1349 0.175,1350 0.07,1351 7.544,1352 2.994,1353 6.48,1354 0.112,1355 0.035,1356 6.48,1357 2.011,1358 5.206,1359 0.073,1360 0.018,1361 5.206,1362 1.288,1363 0.388,1364 63.631,1365 0.256,1366 20.595,1367 0.732,1368 110,1369 321.538,1370 120.824,1371 322.315,1372 452.93,1373 302,1374 130,1375 351.406,1376 141.962,1377 358.17,1378 520.87,1379 336,1380 7.276}
{0 CHEMBL1213120,1 1.582,2 8.273,3 2.749,4 7.558,5 86.821,6 7.929,7 0.667,8 3.73,9 3.856,10 3.344,11 3.26,12 4.967,13 3.262,14 4.187,15 4.362,16 3.702,17 3.609,18 5.378,19 3.6,20 4.376,21 4.573,22 3.729,23 3.691,24 5.558,25 3.668,26 4.404,27 4.634,28 3.661,29 3.647,30 5.62,31 3.601,32 4.236,33 4.446,34 3.407,35 3.55,36 5.375,37 3.479,38 4.118,39 4.304,40 3.373,41 3.477,42 5.264,43 3.406,44 4.213,45 4.452,46 3.321,47 3.404,48 5.358,49 3.338,50 4.122,51 4.363,52 3.256,53 3.321,54 5.205,55 3.255,56 0.081,57 0.59,58 6.798,59 2.881,60 12.251,61 3.616,62 0.155,63 0.902,64 12.115,65 4.678,66 19.857,67 6.279,68 0.22,69 1.036,70 15.699,71 5.265,72 27.538,73 7.133,74 0.311,75 1.035,76 17.32,77 5.725,78 41.747,79 8.002,80 0.19,81 0.876,82 13.738,83 4.785,84 31.877,85 6.53,86 0.076,87 0.8,88 11.291,89 4.603,90 19.235,91 6.293,92 0.254,93 0.83,94 14.413,95 4.266,96 36.36,97 6.143,98 0.21,99 0.727,100 13.483,101 4.37,102 23.742,103 6.226,104 18,105 34,106 0.282,107 0.7,108 0.795,109 0.834,110 0.834,111 0.834,112 3.147,113 0.857,114 -4.28,115 -4.22,116 -3.98,119 43.2,120 2,127 1,141 2,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 7,177 1,178 1,180 3,183 9,185 1,186 1,187 4,192 2,195 6,198 2,199 6,201 3,202 3,204 3,207 5,209 1,212 5,217 2,220 5,222 1,224 7,229 3,232 3,234 3,237 6,240 1,242 3,245 3,247 2,250 3,253 1,255 1,258 4,260 1,263 2,266 2,267 1,268 1,270 1,271 2,273 1,275 642,276 14.637,277 14.637,278 14.637,279 14.637,280 14.637,281 12.508,282 16.033,283 8.564,284 14.943,285 11.839,286 11.839,287 11.839,288 11.839,289 11.839,290 8.565,291 14.356,292 4.044,293 12.341,294 3.627,295 1.277,296 0.744,297 0.527,298 0.527,299 0.527,300 3.824,303 1,304 1,305 1,306 387,307 2.915,310 44.702,311 123.193,314 84.7,318 1.182,319 20.35,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 182,332 4.739,333 3.425,334 6.965,335 4.251,336 3.293,337 4.714,339 11.795,340 3.157,341 4.178,342 2.991,343 6.011,344 3.641,345 2.656,346 3.746,348 8.251,349 2.616,350 3.821,351 2.699,352 5.509,353 3.474,354 2.522,355 3.211,357 7.448,358 2.398,359 3.742,360 2.48,361 5.156,362 3.083,363 2.13,364 3.043,366 6.074,367 2.026,368 3.3,369 2.297,370 4.813,371 2.871,372 1.914,373 2.582,375 5.257,376 1.824,377 3.023,378 1.813,379 4.736,380 2.675,381 1.737,382 2.144,384 4.814,385 1.627,386 2.955,387 1.336,388 3.904,389 2.22,390 1.256,391 1.905,393 2.95,394 1.211,395 2.653,396 1.256,397 3.558,398 2.14,399 1.18,400 1.722,402 2.622,403 1.127,404 2.542,405 0.927,406 3.481,407 1.87,408 0.894,409 1.232,411 2.27,412 0.871,413 2.137,414 0.629,415 3.161,416 1.514,417 0.539,418 0.901,420 1.308,421 0.525,422 1.063,423 0.057,424 2.492,425 0.649,426 -0.278,427 -0.349,428 -0.65,429 -0.255,430 0.971,431 -0.057,432 2.399,433 0.549,434 -0.39,435 -0.499,436 -0.873,437 -0.361,438 0.789,439 -0.226,440 2.251,441 0.415,442 -0.54,443 -0.671,445 -1.499,446 -0.516,447 0.677,448 -0.77,449 2,450 0.115,451 -0.832,452 -1,454 -2,455 -0.781,456 0.313,457 -0.891,458 2,460 -1,461 -1.144,463 -2.264,464 -1,465 10.333,466 0.47,467 0.613,468 0.028,469 31.25,470 1.42,471 17,472 0.773,473 14.25,474 0.648,475 15.161,476 0.689,477 22.667,478 0.613,479 21.48,480 0.976,481 6.109,482 0.278,483 4.45,484 0.202,485 0.168,487 0.377,493 0.969,494 1.164,495 0.771,496 0.931,497 1.092,498 0.84,499 0.707,500 1.069,501 0.667,502 0.901,503 0.539,504 0.795,505 1.168,506 1.15,507 0.929,508 0.938,509 0.983,510 0.897,511 0.864,512 0.854,513 0.87,514 0.857,515 0.78,516 0.859,517 1.101,518 1.022,519 1.196,520 1.04,521 0.874,522 1.104,523 0.722,524 1.413,525 1.09,526 1.375,527 0.807,528 1.305,529 1.121,530 1.016,531 1.151,532 0.958,533 1.097,534 1.019,535 0.965,536 0.947,537 0.944,538 0.929,539 0.974,540 0.921,541 4.5,542 0.037,543 2.444,544 2.104,545 1.451,546 0.545,547 0.456,548 0.257,549 0.24,550 0.141,551 4685,552 13346,553 2.043,554 40.5,556 5,558 1,559 3,561 6,564 1.647,565 1.886,566 3.058,567 1.069,568 1,569 1,571 1,573 58.537,574 1.582,575 3.932,576 4.466,577 4.682,578 4.682,579 4.682,580 2.392,581 4.096,582 4.432,583 3.215,584 742.616,585 7.626,586 8151.9,587 1,588 1,589 1,590 1,591 192.75,592 1.495,593 4.376,594 0.188,595 0.006,596 0.072,597 0.062,598 0.047,599 0.023,600 0.02,601 0.012,602 0.012,603 0.01,604 0.451,605 0.5,606 1,607 0.853,608 100.264,609 -0.073,610 -0.015,611 0.018,612 0.044,613 -0.218,614 0.041,615 0.131,616 0.02,617 0.201,618 0.065,619 0.154,620 0.128,621 -0.143,622 -0.096,623 -0.006,624 0.002,625 -0.079,626 0.017,627 0.107,628 0.163,629 0.104,630 0.083,631 0.133,632 0.087,633 -0.257,634 0.017,635 -0.284,636 -0.081,637 -0.116,638 -0.163,639 -0.067,640 -0.382,641 -0.229,642 -0.383,643 -0.145,644 -0.343,645 -0.137,646 0.009,647 -0.17,648 -0.044,649 -0.145,650 -0.09,651 0.016,652 0.01,653 0.057,654 0.036,655 -0.01,656 0.059,657 1.493,658 3.476,659 0.682,660 16.182,661 1.007,662 1.129,663 3.051,664 9.306,665 0.684,666 3.219,667 3.555,668 3.829,669 4.127,670 4.317,671 4.357,672 4.382,673 4.466,674 4.443,675 4.454,676 5.277,677 0.661,678 293.36,679 3.219,680 4.762,681 5.617,682 6.509,683 7.387,684 8.287,685 9.175,686 10.079,687 10.974,688 11.881,689 13.5,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,728 1,731 37,733 17,734 1,735 24,737 39,738 16,739 11,740 2,741 4,746 3,747 4,752 2,758 1,760 2,761 11,762 3,777 1,778 1,781 15,782 5,783 3,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,819 2,840 2,844 2,848 22,849 1,853 1,858 1,861 1,868 2,870 2.7,872 1,877 11.667,878 7.333,879 4.806,880 2.171,881 4.049,882 1.589,883 0.966,884 3.702,885 10.928,886 3.555,887 4.216,888 4.904,889 5.575,890 6.152,891 6.533,892 6.976,893 7.439,894 7.771,895 8.18,896 1,897 34,898 8.043,900 3.377,901 7.833,902 15.076,904 12.025,905 2.333,906 51.333,910 141.253,911 110.794,912 84.908,914 42.683,917 110.794,918 183.937,919 84.908,920 17.65,922 70.802,923 106.404,924 18.91,925 36.389,926 129.482,928 141.253,929 195.701,930 42.683,933 70.627,934 113.31,937 32.518,938 78.889,939 84.295,941 141.253,942 127.591,943 110.794,946 141.253,947 12.559,948 65.951,949 34.061,950 125.815,951 141.253,952 127.591,953 110.794,955 0.586,956 0.341,957 0.191,958 0.105,959 17,960 8,961 0.026,962 1,963 1,964 1.133,965 3.371,966 173.46,967 0.133,968 15,969 96.107,974 14.369,975 5.667,976 2.772,977 1.326,978 125.815,979 8.162,980 12.755,984 1.761,985 1.778,986 75.581,987 379.638,988 34,999 37.254,1000 41.777,1001 0.304,1002 0.755,1003 0.857,1004 0.899,1005 0.899,1006 0.899,1007 4.796,1008 1.18,1009 5.617,1010 2.95,1011 4.234,1012 4.902,1014 6.454,1015 4.154,1016 6.052,1017 0.894,1018 7.192,1019 2.622,1020 3.892,1021 4.745,1023 7.431,1024 3.765,1025 7.386,1026 0.539,1027 8.871,1028 2.27,1029 5.844,1030 7.22,1032 10.564,1033 5.689,1034 8.759,1035 -0.278,1036 10.611,1037 1.308,1038 6.312,1039 7.93,1041 12.427,1042 6.11,1043 10.164,1044 -0.39,1045 12.392,1046 -0.65,1047 7.769,1048 9.862,1050 15.102,1051 7.54,1052 11.594,1053 -0.54,1054 14.204,1055 -0.873,1056 8.621,1057 11.006,1059 17.335,1060 8.342,1061 13.045,1062 -0.832,1063 16.04,1064 -1.499,1065 9.891,1066 12.705,1068 19.865,1069 9.58,1070 3.293,1071 -1,1072 17.894,1073 -2,1074 10.923,1075 14.066,1077 22.244,1078 10.564,1079 2.656,1080 11.795,1081 19.764,1082 -2.264,1083 12.126,1084 15.668,1086 24.729,1087 11.731,1088 2.522,1089 8.251,1090 21.646,1091 4.714,1092 13.242,1093 17.131,1095 27.163,1096 12.799,1097 2.13,1098 7.448,1099 23.538,1100 3.746,1101 14.426,1102 18.696,1104 29.635,1105 13.943,1106 1.914,1107 6.074,1108 25.439,1109 3.211,1110 15.579,1111 20.206,1113 32.089,1114 15.05,1115 1.737,1116 5.257,1117 27.346,1118 3.043,1119 16.76,1120 21.758,1122 34.557,1123 16.189,1124 1.256,1125 4.814,1126 29.259,1127 2.582,1128 17.931,1129 23.289,1131 37.02,1132 17.315,1133 4622,1134 7929,1135 15.72,1136 25.29,1137 37.847,1138 36.408,1139 37.927,1140 36.315,1141 36.242,1142 50.397,1144 105.575,1145 34.762,1146 5.376,1147 5.425,1148 6.525,1149 5.324,1150 5.293,1151 7.714,1153 19.084,1154 5.157,1155 11.53,1156 1.577,1157 1.517,1158 1.58,1159 1.513,1160 1.51,1161 2.1,1163 4.399,1164 1.448,1165 4.113,1166 4.163,1167 4.098,1168 3.964,1169 6.471,1170 3.99,1171 3.893,1172 3.915,1173 3.841,1174 3.817,1175 5.266,1176 3.822,1177 3.578,1178 3.655,1179 3.445,1180 3.413,1181 4.926,1182 3.403,1183 3.333,1184 3.381,1185 3.288,1186 3.215,1187 4.751,1188 3.23,1189 3.066,1190 3.157,1191 2.962,1192 2.831,1193 4.518,1194 2.858,1195 2.965,1196 3.042,1197 2.855,1198 2.746,1199 4.312,1200 2.748,1201 2.917,1202 3.009,1203 2.786,1204 2.675,1205 4.011,1206 2.71,1207 2.874,1208 2.966,1209 2.499,1210 2.618,1211 3.669,1212 2.57,1213 0.197,1214 0.143,1215 0.29,1216 0.177,1217 0.137,1218 4.739,1219 0.196,1220 3.425,1222 6.965,1223 0.491,1224 4.251,1225 0.132,1226 3.293,1227 4.714,1229 11.795,1230 3.157,1231 1.909,1232 1.891,1233 1.997,1234 2.027,1235 1.147,1236 2.003,1237 1.826,1238 1.785,1239 1.948,1240 1.976,1241 1.049,1242 1.978,1243 1.649,1244 1.585,1245 1.81,1246 1.848,1247 0.887,1248 1.846,1249 1.319,1250 1.28,1251 1.417,1252 1.486,1253 0.469,1254 1.469,1255 0.97,1256 0.897,1257 1.403,1258 1.289,1259 0.288,1260 1.308,1261 0.934,1262 0.838,1263 1.198,1264 1.239,1265 0.166,1266 1.274,1267 0.883,1268 0.804,1269 1.137,1270 1.146,1271 0.106,1272 1.132,1273 0.805,1274 0.734,1275 1.036,1276 1.101,1277 0.03,1278 1.093,1279 3.892,1281 5.22,1282 2.398,1283 6.742,1284 4.844,1285 8.356,1286 7.066,1287 10.022,1289 4.022,1293 5.951,1294 9.476,1299 0.133,1304 5.971,1305 24.456,1306 58.537,1307 145.489,1308 165.24,1309 173.24,1310 173.24,1311 173.24,1312 31.878,1313 6.878,1314 89.85,1315 89.85,1316 17,1317 12.401,1318 4.17,1319 3.459,1320 34.387,1321 68,1322 66,1323 0.248,1324 153.689,1325 255.61,1326 366.761,1327 7987,1329 15.69,1330 0.713,1331 0.558,1332 15.69,1333 12.278,1334 10.559,1335 0.44,1336 0.286,1337 6.763,1338 10.161,1339 6.542,1340 5.498,1341 10.559,1342 6.857,1343 9.768,1344 0.287,1345 0.151,1346 9.768,1347 5.145,1348 7.865,1349 0.175,1350 0.071,1351 7.865,1352 3.179,1353 6.826,1354 0.112,1355 0.035,1356 6.826,1357 2.158,1358 5.375,1359 0.073,1360 0.019,1361 5.375,1362 1.374,1363 0.38,1364 66.071,1365 0.252,1366 21.452,1367 0.707,1368 116,1369 342.042,1370 127.54,1371 341.486,1372 475.22,1373 318,1374 137,1375 366.323,1376 149.125,1377 372.84,1378 542.68,1379 350,1380 7.469}
{0 CHEMBL1213168,1 1.852,2 10.844,3 5.055,4 25.556,5 118.319,6 8.912,7 0.657,8 4.065,9 4.149,10 3.904,11 3.628,12 5.266,13 3.624,14 4.562,15 4.682,16 4.199,17 3.966,18 5.976,19 3.964,20 4.746,21 4.892,22 4.286,23 4.075,24 6.063,25 4.058,26 4.799,27 4.966,28 4.255,29 4.032,30 6.137,31 4.006,32 4.8,33 4.983,34 4.255,35 4.013,36 6.078,37 3.995,38 4.779,39 4.933,40 4.273,41 4.054,42 6.248,43 4.035,44 4.824,45 5,46 4.257,47 4.135,48 6.095,49 4.088,50 4.861,51 5.038,52 4.221,53 4.122,54 6.121,55 4.087,56 0.182,57 0.837,58 9.891,59 4.803,60 17.857,61 4.724,62 0.596,63 1.283,64 17.222,65 7.751,66 58.4,67 7.873,68 0.655,69 1.59,70 23.001,71 9.187,72 56.167,73 9.082,74 0.851,75 1.569,76 26.178,77 9.135,78 78.351,79 9.81,80 0.828,81 1.511,82 27.69,83 9.318,84 89.341,85 10.127,86 1.015,87 1.551,88 23.57,89 8.567,90 114.628,91 8.538,92 0.717,93 1.56,94 29.022,95 10.822,96 59.873,97 11.958,98 0.807,99 1.563,100 28.325,101 10.52,102 94.352,103 11.331,104 30,105 50,106 0.305,107 0.586,108 0.69,109 0.787,110 0.793,111 0.8,112 3.503,113 0.935,114 -4.02,115 -3.97,116 -3.76,119 43.1,124 2,142 11,144 5,146 2,147 2,172 5,174 1,175 6,178 4,180 2,183 7,186 1,187 8,190 2,191 1,192 2,195 3,198 3,199 10,202 2,204 5,211 2,212 4,215 2,217 6,223 2,224 7,229 4,232 2,236 2,237 11,240 2,242 3,245 6,250 4,258 13,262 4,263 6,271 12,275 1890,276 21.469,277 21.469,278 21.469,279 21.469,280 21.469,281 18.467,282 23.734,283 12.473,284 22.221,285 17.186,286 17.186,287 17.186,288 17.186,289 17.186,290 12.487,291 33.655,292 5.828,293 18.281,294 3.82,295 2.11,296 1.482,297 0.892,298 0.853,299 0.814,300 4.196,304 1,305 1,306 741,307 3.808,311 368.104,315 150.78,318 1.551,319 48.241,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 71.5,331 347,332 4.861,333 4.686,334 7.312,335 4.322,336 3.403,337 4.713,338 0.86,339 12.533,340 3.103,341 4.476,342 3.156,343 6.363,344 3.972,345 3.026,346 4.394,347 0.86,348 9.842,349 2.86,350 4.201,351 3.022,352 5.92,353 3.77,354 2.811,355 3.847,356 0.4,357 8.472,358 2.691,359 3.887,360 2.874,361 5.746,362 3.449,363 2.492,364 3.428,366 7.974,367 2.377,368 3.809,369 2.616,370 5.16,371 3.328,372 2.381,373 3.328,375 6.345,376 2.245,377 3.355,378 2.555,379 5.016,380 2.972,381 2.061,382 2.626,384 5.97,385 1.886,386 3.343,387 2.27,388 4.969,389 2.953,390 2.014,391 2.604,393 5.818,394 1.867,395 3.178,396 1.836,397 4.754,398 2.664,399 1.721,400 2.478,402 5.055,403 1.618,404 3.065,405 1.687,406 4.601,407 2.545,408 1.579,409 2.274,411 4.611,412 1.512,413 2.907,414 1.419,415 3.896,416 2.403,417 1.412,418 2.106,420 3.01,421 1.398,422 2.5,423 1.202,424 3.621,425 2,426 1.033,427 1.5,428 2.839,429 1,430 2.432,431 1.06,432 3.414,433 1.985,434 1,435 1.4,436 2.275,437 0.98,438 1.593,439 1,440 3.162,441 1.33,442 0.484,443 0.524,445 0.69,446 0.406,447 1.576,448 0.916,449 2.976,450 1.27,451 0.396,452 0.452,454 0.602,455 0.342,456 1.53,457 0.631,458 2.842,459 1.127,460 0.186,461 0.242,463 0.49,464 0.174,465 15.052,466 0.47,467 0.884,468 0.028,469 48,470 1.5,471 27,472 0.844,473 21,474 0.656,475 22.52,476 0.704,477 34.148,478 0.67,479 40.801,480 1.275,481 9.683,482 0.303,483 5.69,484 0.178,485 0.13,486 0.055,487 0.299,491 1,493 0.664,494 1.182,495 0.748,496 1.205,497 0.651,498 0.891,499 0.887,500 1.019,501 0.824,502 0.914,503 0.619,504 0.834,505 1.114,506 1.129,507 1.085,508 1.085,509 1.031,510 0.994,511 0.961,512 1.129,513 1.082,514 1.106,515 1.096,516 1.047,517 0.946,518 0.951,519 0.875,520 0.883,521 0.921,522 0.831,523 1.037,524 0.885,525 1.058,526 0.86,527 0.799,528 0.919,529 0.772,530 0.874,531 1.04,532 1.027,533 0.804,534 0.911,535 1.022,536 0.778,537 0.932,538 0.92,539 1.128,540 0.934,541 8.5,542 0.218,543 3.556,544 2.438,545 2.262,546 1.333,547 0.953,548 0.639,549 0.587,550 0.359,551 12985,552 43748,553 2.056,554 37.3,556 17,559 2,564 1.753,565 1.91,566 3.396,567 0.27,573 94.476,574 1.852,575 3.562,576 4.191,577 4.78,578 4.819,579 4.859,580 2.871,581 3.875,582 4.971,583 3.559,584 1765.34,585 8.74,586 25460,588 1,591 289.294,592 1.574,593 4.918,594 0.243,595 0.007,596 0.071,597 0.047,598 0.047,599 0.027,600 0.019,601 0.012,602 0.012,603 0.008,604 0.494,605 0.33,606 1,607 0.825,608 165.885,609 -0.005,610 -0.148,611 0.175,612 -0.114,613 -0.138,614 0.007,615 0.038,616 -0.042,617 0.055,618 0.06,619 0.153,620 0.057,621 -0.153,622 -0.06,623 -0.104,624 -0.081,625 -0.101,626 -0.095,627 -0.001,628 -0.138,629 -0.066,630 -0.126,631 -0.069,632 -0.13,633 -0.031,634 -0.079,635 0.123,636 0.062,637 -0.02,638 0.109,639 0.001,640 0.132,641 -0.105,642 0.078,643 0.163,644 -0.049,645 0.026,646 0.04,647 0.009,648 0.016,649 0.027,650 0.08,651 -0.117,652 0.088,653 -0.014,654 0.027,655 -0.138,656 0.036,657 4.964,658 5.885,659 0.688,660 30.121,661 1.027,662 1.126,663 2.786,664 7.763,665 0.696,666 3.584,667 3.932,668 4.174,669 4.431,670 4.71,671 4.796,672 4.92,673 5.05,674 5.209,675 5.268,676 6.636,677 0.681,678 454.52,679 3.584,680 5.142,681 5.989,682 6.878,683 7.745,684 8.639,685 9.514,686 10.41,687 11.289,688 12.186,689 7.8,694 1,697 1,699 2,703 2,704 11,705 2,709 7,711 23,724 1,729 2,730 1,731 51,733 25,734 3,735 35,737 54,738 22,739 20,740 7,741 11,746 4,747 5,761 20,762 2,766 2,769 1,771 2,779 1,781 19,782 9,783 2,784 10,785 1,790 4,794 0.75,795 4,802 1,812 4,816 1,840 3,842 1,844 2,846 1,848 32,852 1,855 2,856 2,869 1,870 7.8,873 2,875 2,877 16.75,878 9.793,879 7.014,880 2.659,881 4.471,882 1.569,883 1.007,884 6.238,885 12.33,886 3.902,887 4.58,888 5.137,889 5.733,890 6.331,891 6.623,892 7.006,893 7.422,894 7.874,895 8.142,896 1,897 52,898 12.138,900 5.535,901 8.06,902 21.806,904 17.648,905 2.56,906 81.917,909 1,910 200.109,911 164.672,912 67.987,914 66.313,915 14.96,916 5.807,917 158.864,918 266.421,919 82.947,920 21.766,922 110.046,923 94.289,924 68.214,925 19.616,926 200.109,928 200.109,929 226.851,930 81.273,931 5.807,933 215.069,934 66.313,937 22.299,938 154.576,939 55.783,941 215.069,942 134.3,943 164.672,945 5.807,946 200.109,947 32.859,948 126.005,949 34.416,950 114.844,951 200.109,952 149.26,953 164.672,955 0.585,956 0.338,957 0.177,958 0.105,959 24,960 11,961 0.13,962 7,963 1,964 1.091,965 4.162,966 299.738,967 0.091,968 22,969 146,973 1,974 21.965,975 9.087,976 4.994,977 1.063,978 149.26,979 16.662,980 8.964,984 1.127,986 34.416,987 514.04,988 48.5,991 -4.048,993 25.771,999 52.374,1000 57.412,1001 0.327,1002 0.628,1003 0.739,1004 0.843,1005 0.85,1006 0.857,1007 5.14,1008 1.721,1009 6.009,1010 5.818,1011 4.615,1012 5.268,1013 1.454,1014 6.851,1015 4.496,1016 6.396,1017 1.579,1018 7.593,1019 5.055,1020 4.369,1021 5.338,1023 7.984,1024 4.151,1025 7.751,1026 1.412,1027 9.285,1028 4.611,1029 6.286,1030 7.621,1031 1.175,1032 11.013,1033 6.037,1034 9.145,1035 1.033,1036 11.044,1037 3.01,1038 6.825,1039 8.471,1041 12.98,1042 6.456,1043 10.572,1044 1,1045 12.848,1046 2.839,1047 8.265,1048 10.285,1049 0.966,1050 15.616,1051 7.866,1052 12.023,1053 0.484,1054 14.687,1055 2.275,1056 9.161,1057 11.491,1059 17.922,1060 8.638,1061 13.493,1062 0.396,1063 16.551,1064 0.69,1065 10.429,1066 13.127,1067 0.788,1068 20.456,1069 9.859,1070 3.403,1071 0.186,1072 18.437,1073 0.602,1074 11.489,1075 14.501,1077 22.893,1078 10.802,1079 3.026,1080 12.533,1081 20.341,1082 0.49,1083 12.699,1084 16.066,1085 0.634,1086 25.407,1087 11.946,1088 2.811,1089 9.842,1090 22.259,1091 4.713,1092 13.835,1093 17.521,1095 27.895,1096 12.971,1097 2.492,1098 8.472,1099 24.189,1100 4.394,1101 15.03,1102 19.059,1103 0.504,1104 30.41,1105 14.086,1106 2.381,1107 7.974,1108 26.129,1109 3.847,1110 16.2,1111 20.552,1113 32.918,1114 15.152,1115 2.061,1116 6.345,1117 28.077,1118 3.428,1119 17.396,1120 22.083,1121 0.395,1122 35.437,1123 16.259,1124 2.014,1125 5.97,1126 30.032,1127 3.328,1128 18.585,1129 23.596,1131 37.955,1132 17.347,1133 12517,1134 23193,1135 23.057,1136 35.517,1137 51.856,1138 54.087,1139 53.818,1140 51.981,1141 51.996,1142 71.833,1143 4.24,1144 153.052,1145 48.916,1146 5.716,1147 6.686,1148 6.996,1149 5.398,1150 5.403,1151 7.713,1152 1.72,1153 19.945,1154 5.103,1155 16.746,1156 1.482,1157 1.545,1158 1.538,1159 1.485,1160 1.486,1161 2.052,1162 0.121,1163 4.373,1164 1.398,1165 4.12,1166 4.133,1167 4.737,1168 4.073,1169 8.201,1170 4.012,1171 3.995,1172 3.997,1173 4.015,1174 3.926,1175 7.717,1176 3.911,1177 3.903,1178 3.921,1179 3.857,1180 3.813,1181 6.999,1182 3.82,1183 3.653,1184 3.655,1185 3.723,1186 3.553,1187 5.074,1188 3.503,1189 3.418,1190 3.444,1191 3.392,1192 3.269,1193 4.913,1194 3.268,1195 3.303,1196 3.355,1197 3.144,1198 3.006,1199 4.584,1200 3.026,1201 3.184,1202 3.257,1203 3.024,1204 2.93,1205 4.58,1206 2.938,1207 2.969,1208 3.04,1209 2.863,1210 2.807,1211 4.453,1212 2.808,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.861,1219 0.135,1220 4.686,1221 0.025,1222 7.312,1223 0.358,1224 4.322,1225 0.089,1226 3.403,1227 4.713,1228 0.86,1229 12.533,1230 3.103,1231 2.007,1232 1.99,1233 2.064,1234 2.131,1235 1.164,1236 2.122,1237 1.933,1238 1.929,1239 1.962,1240 2.006,1241 1.117,1242 2.032,1243 1.866,1244 1.848,1245 1.958,1246 1.981,1247 1.059,1248 1.974,1249 1.514,1250 1.513,1251 1.59,1252 1.686,1253 0.656,1254 1.697,1255 1.297,1256 1.289,1257 1.571,1258 1.558,1259 0.584,1260 1.565,1261 1.227,1262 1.163,1263 1.502,1264 1.515,1265 0.561,1266 1.528,1267 1.147,1268 1.068,1269 1.181,1270 1.405,1271 0.411,1272 1.429,1273 0.94,1274 0.879,1275 1.18,1276 1.145,1277 0.218,1278 1.15,1279 4.263,1281 5.602,1283 7.138,1285 8.761,1287 10.43,1289 3.049,1291 13.238,1296 5.52,1297 10.571,1305 34.73,1306 94.476,1307 181.676,1308 213.73,1309 243.784,1310 245.784,1311 247.784,1312 70.821,1313 7.859,1314 102.44,1315 110.82,1316 24,1317 12.714,1318 4.7,1319 3.858,1320 51.417,1321 123,1322 142,1323 0.197,1324 215.518,1325 370.82,1326 517.625,1327 29155,1328 2,1329 22.717,1330 0.71,1331 0.562,1332 22.097,1333 17.981,1334 15.374,1335 0.439,1336 0.312,1337 9.362,1338 13.83,1339 9.009,1340 7.503,1341 15.801,1342 10.914,1343 14.303,1344 0.286,1345 0.168,1346 14.982,1347 8.378,1348 11.644,1349 0.182,1350 0.092,1351 12.325,1352 5.895,1353 9.481,1354 0.114,1355 0.048,1356 10.362,1357 3.984,1358 8.093,1359 0.074,1360 0.026,1361 8.869,1362 2.813,1363 0.303,1364 106.156,1365 0.208,1366 29.464,1367 0.56,1368 170,1369 635.87,1370 228.769,1371 601.014,1372 806.67,1373 556,1374 199,1375 560.415,1376 265.699,1377 597.798,1378 867.89,1379 557,1380 6.398}
{0 CHEMBL1213169,1 1.684,2 12.235,3 4.103,4 16.834,5 130.176,6 8.309,7 0.447,8 4.159,9 4.263,10 3.86,11 3.752,12 5.299,13 3.727,14 4.687,15 4.835,16 4.235,17 4.133,18 5.801,19 4.09,20 4.922,21 5.105,22 4.379,23 4.267,24 6.035,25 4.216,26 4.937,27 5.12,28 4.372,29 4.257,30 6.105,31 4.194,32 4.94,33 5.108,34 4.38,35 4.272,36 6.177,37 4.187,38 4.914,39 5.083,40 4.266,41 4.261,42 6.071,43 4.153,44 4.93,45 5.11,46 4.163,47 4.195,48 6.138,49 4.103,50 4.94,51 5.151,52 4.055,53 4.128,54 6.038,55 4.037,56 0.053,57 0.859,58 10.021,59 5.134,60 8.201,61 5.999,62 0.325,63 1.424,64 22.759,65 8.841,66 26.853,67 10.606,68 0.449,69 1.743,70 29.82,71 10.909,72 45.779,73 13.127,74 0.491,75 1.748,76 31.78,77 11.419,78 52.642,79 13.003,80 0.766,81 1.726,82 34.556,83 12.318,84 77.757,85 13.274,86 0.45,87 1.677,88 37.041,89 13.364,90 60.813,91 14.222,92 0.618,93 1.646,94 36.195,95 12.635,96 89.276,97 14.28,98 0.608,99 1.603,100 31.298,101 11.467,102 71.482,103 14.348,104 11,105 53,106 0.272,107 0.629,108 0.781,109 0.859,110 0.888,111 0.893,112 3.561,113 0.951,114 -3.41,115 -3.39,116 -3.24,119 43.9,121 4,124 1,125 1,136 1,138 1,142 7,144 3,145 2,146 2,158 2,159 1,172 8,174 2,175 10,178 1,180 2,183 7,186 2,187 12,192 2,195 4,198 1,199 13,202 1,207 4,211 4,212 9,215 3,220 9,223 1,224 3,232 8,236 2,237 10,240 1,242 3,245 6,249 1,250 8,253 1,255 4,258 4,262 2,263 4,268 2,271 7,275 2212,276 23.507,277 23.507,278 23.507,279 23.507,280 23.507,281 20.8,282 23.706,283 13.939,284 24.146,285 18.725,286 18.725,287 18.725,288 18.725,289 18.725,290 14.453,291 28.311,292 6.537,293 19.679,294 4.149,295 1.935,296 0.99,297 0.504,298 0.329,299 0.294,300 4.271,305 1,306 921,307 3.464,311 454.164,315 308.137,318 1.692,319 38.003,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.5,331 416,332 4.584,333 4.586,334 6.989,335 4.244,336 3.296,337 4.337,338 3.87,339 11.864,340 3.138,341 4.409,342 3.813,343 6.319,344 3.899,345 2.931,346 4.061,347 1.983,348 9.503,349 2.837,350 4.188,351 3.543,352 6.185,353 3.786,354 2.815,355 3.733,356 1.182,357 9.238,358 2.724,359 3.817,360 3.109,361 5.726,362 3.468,363 2.507,364 3.156,365 0.86,366 7.565,367 2.406,368 3.67,369 2.934,370 5.425,371 3.255,372 2.337,373 2.914,374 0.806,375 7.158,376 2.148,377 3.431,378 2.866,379 5.276,380 3.048,381 2.091,382 2.627,383 0.428,384 6.304,385 1.979,386 3.37,387 2.693,388 4.784,389 2.932,390 1.942,391 2.546,392 0.134,393 5.356,394 1.893,395 3.118,396 2.303,397 4.447,398 2.572,399 1.618,400 2.427,402 4.354,403 1.542,404 2.917,405 2.028,406 4.404,407 2.481,408 1.527,409 2.087,411 4.012,412 1.454,413 2.887,414 1.787,415 3.933,416 2.445,417 1.453,418 2.071,420 3.125,421 1.434,422 2.807,423 1.618,424 3.668,425 2.36,426 1.405,427 1.895,428 3.067,429 1.338,430 2.482,431 1.575,432 3.616,433 2.32,434 1.358,435 1.464,436 2.997,437 1.292,438 2.197,439 1.418,440 3.596,441 2.021,442 1.025,443 1.139,445 2.583,446 1.012,447 2.181,448 1.415,449 3.278,450 1.661,451 0.72,452 1.037,454 1.673,455 0.673,456 1.842,457 0.979,458 3.173,459 1.497,460 0.603,461 0.7,463 1.399,464 0.524,465 16.333,466 0.48,467 0.709,468 0.021,469 46.25,470 1.36,471 23.5,472 0.691,473 22.75,474 0.669,475 30.337,476 0.892,477 35.267,478 0.619,479 35.944,480 1.057,481 8.689,482 0.256,483 7.946,484 0.234,485 0.071,487 0.331,493 0.733,494 1.275,495 0.695,496 0.972,497 0.539,498 0.888,499 0.796,500 1.221,501 0.923,502 1.08,503 0.605,504 0.941,505 1.018,506 1.078,507 0.842,508 0.925,509 1.001,510 0.878,511 1.212,512 1.034,513 1.033,514 0.999,515 1.12,516 0.934,517 1.232,518 0.871,519 1.279,520 1.077,521 1.5,522 0.993,523 1.257,524 1.152,525 1.593,526 1.406,527 1.484,528 1.149,529 1.185,530 1.143,531 1.421,532 1.331,533 1.15,534 1.165,535 1.16,536 1.019,537 0.933,538 0.972,539 1.21,540 1.076,541 5.5,542 0.149,543 3.556,544 2.5,545 2.516,546 1.083,547 0.891,548 0.495,549 0.365,550 0.276,551 17332,552 47320,553 2.145,554 40.4,555 6,556 12,558 2,559 1,561 2,564 1.763,565 2.04,566 3.533,567 -0.334,573 95.972,574 1.684,575 3.898,576 4.843,577 5.328,578 5.504,579 5.539,580 2.862,581 4.97,582 5.061,583 3.747,584 2101.79,585 8.888,586 32040.6,591 332.475,592 1.286,593 5.033,594 0.145,595 0.004,596 0.067,597 0.043,598 0.046,599 0.02,600 0.018,601 0.011,602 0.009,603 0.008,604 0.371,605 0.33,606 0.75,607 0.608,608 181.5,609 -0.04,610 -0.176,611 0.066,612 -0.027,613 -0.013,614 0.003,615 0.078,616 -0.147,617 0.031,618 -0.074,619 0.036,620 -0.012,621 -0.028,622 -0.03,623 0.117,624 0.038,625 -0.053,626 0.058,627 -0.093,628 0.026,629 0.032,630 0.018,631 -0.022,632 0.001,633 0.057,634 0.186,635 -0.063,636 0.041,637 -0.041,638 -0.048,639 -0.145,640 -0.116,641 -0.241,642 -0.169,643 -0.109,644 -0.147,645 -0.002,646 -0.152,647 -0.241,648 -0.218,649 0.109,650 -0.18,651 -0.021,652 -0.093,653 -0.046,654 -0.062,655 -0.042,656 -0.101,657 1.869,658 6.504,659 0.765,660 33.765,661 1.009,662 1.119,663 2.178,664 4.743,665 0.7,666 3.664,667 3.989,668 4.304,669 4.605,670 4.875,671 4.934,672 5.075,673 5.187,674 5.263,675 5.209,676 7.386,677 0.67,678 473.6,679 3.664,680 5.209,681 6.075,682 6.963,683 7.847,684 8.742,685 9.633,686 10.531,687 11.426,688 12.327,689 8.8,696 2,698 1,699 2,703 2,704 9,705 2,709 3,711 17,729 1,731 57,733 21,734 2,735 38,737 61,738 25,739 14,740 5,741 7,742 4,746 5,747 7,755 4,758 4,761 19,762 6,766 4,771 2,774 1,775 5,781 23,782 8,783 1,784 9,785 1,790 5,794 0.6,795 3,802 1,812 5,816 2,826 1,827 1,831 1,832 1,840 3,841 1,842 1,844 1,848 34,854 5,855 1,856 1,857 1,859 1,870 5.3,873 2,875 1,877 16.667,878 10.717,879 7.528,880 3.456,881 3.834,882 1.461,883 1.009,884 6.615,885 12.147,886 3.942,887 4.533,888 5.118,889 5.7,890 6.249,891 6.462,892 6.816,893 7.154,894 7.419,895 7.346,896 0.875,897 58,898 12.629,900 5.468,901 7.765,902 24,904 19.865,905 2.265,906 77,910 258.964,911 169.659,912 71.492,914 61.29,916 32.22,917 137.439,918 320.254,919 71.492,920 10.883,921 32.173,922 66.334,923 119.569,924 64.111,925 0.693,926 267.642,928 258.964,929 208.931,930 61.29,931 32.22,933 235.422,934 84.832,937 71.342,938 101.262,939 36.328,940 32.22,941 258.964,942 132.781,943 169.659,946 258.964,947 74.347,948 98.436,949 18.011,950 111.646,951 258.964,952 132.781,953 169.659,955 0.576,956 0.349,957 0.202,958 0.114,959 26,960 11,961 0.098,962 6,963 2,964 1.154,965 4.455,966 329.611,967 0.154,968 26,969 170.974,970 1,974 22.578,975 9.962,976 4.73,977 1.461,978 132.781,979 15.986,980 8.519,984 1.83,986 18.011,987 561.405,988 50.5,993 26.262,996 4.818,997 1.772,999 57.52,1000 63.777,1001 0.289,1002 0.668,1003 0.83,1004 0.914,1005 0.944,1006 0.95,1007 5.183,1008 1.618,1009 6.052,1010 5.356,1011 4.673,1012 5.22,1013 3.749,1014 6.882,1015 4.581,1016 6.386,1017 1.527,1018 7.617,1019 4.354,1020 4.205,1021 4.997,1022 2.457,1023 7.825,1024 4.087,1025 7.698,1026 1.453,1027 9.287,1028 4.012,1029 6.275,1030 7.412,1031 6.094,1032 10.971,1033 6.097,1034 9.046,1035 1.405,1036 11.02,1037 3.125,1038 6.661,1039 8.02,1040 5.193,1041 12.781,1042 6.446,1043 10.428,1044 1.358,1045 12.796,1046 3.067,1047 8.173,1048 9.901,1049 8.715,1050 15.45,1051 7.913,1052 11.833,1053 1.025,1054 14.601,1055 2.997,1056 8.967,1057 10.912,1058 8.083,1059 17.623,1060 8.663,1061 13.256,1062 0.72,1063 16.428,1064 2.583,1065 10.255,1066 12.561,1067 11.378,1068 20.141,1069 9.909,1070 3.296,1071 0.603,1072 18.273,1073 1.673,1074 11.245,1075 13.781,1076 10.977,1077 22.473,1078 10.851,1079 2.931,1080 11.864,1081 20.13,1082 1.399,1083 12.446,1084 15.32,1085 14.05,1086 24.945,1087 12.009,1088 2.815,1089 9.503,1090 21.999,1091 4.337,1092 13.529,1093 16.648,1094 13.842,1095 27.348,1096 13.042,1097 2.507,1098 9.238,1099 23.877,1100 4.061,1101 14.7,1102 18.136,1103 16.725,1104 29.809,1105 14.168,1106 2.337,1107 7.565,1108 25.762,1109 3.733,1110 15.827,1111 19.519,1112 16.678,1113 32.246,1114 15.244,1115 2.091,1116 7.158,1117 27.654,1118 3.156,1119 16.992,1120 20.983,1121 19.402,1122 34.707,1123 16.362,1124 1.942,1125 6.304,1126 29.553,1127 2.914,1128 18.142,1129 22.397,1130 19.492,1131 37.16,1132 17.461,1133 16035,1134 26703,1135 25.948,1136 39.892,1137 57.036,1138 61.513,1139 58.488,1140 56.257,1141 56.325,1142 73.627,1143 18.525,1144 162.263,1145 53.708,1146 5.558,1147 6.586,1148 6.68,1149 5.384,1150 5.296,1151 7.337,1152 7.591,1153 19.467,1154 5.138,1155 13.174,1156 1.501,1157 1.619,1158 1.539,1159 1.48,1160 1.482,1161 1.938,1162 0.487,1163 4.27,1164 1.413,1165 4.058,1166 4.093,1167 4.072,1168 3.953,1169 7.43,1170 3.964,1171 3.997,1172 4.029,1173 3.993,1174 3.892,1175 7.426,1176 3.899,1177 3.843,1178 3.874,1179 3.798,1180 3.763,1181 5.079,1182 3.758,1183 3.609,1184 3.648,1185 3.724,1186 3.486,1187 4.876,1188 3.45,1189 3.453,1190 3.505,1191 3.431,1192 3.303,1193 4.656,1194 3.302,1195 3.343,1196 3.383,1197 3.273,1198 3.179,1199 4.436,1200 3.19,1201 3.249,1202 3.314,1203 3.099,1204 2.969,1205 4.383,1206 2.979,1207 3.094,1208 3.166,1209 3.063,1210 2.917,1211 4.122,1212 2.908,1213 0.121,1214 0.121,1215 0.184,1216 0.112,1217 0.087,1218 4.584,1219 0.114,1220 4.586,1221 0.102,1222 6.989,1223 0.312,1224 4.244,1225 0.083,1226 3.296,1227 4.337,1228 3.87,1229 11.864,1230 3.138,1231 1.991,1232 1.96,1233 2.071,1234 2.113,1235 1.403,1236 2.099,1237 1.942,1238 1.913,1239 2.06,1240 2.072,1241 1.138,1242 2.07,1243 1.841,1244 1.81,1245 1.977,1246 1.95,1247 1.079,1248 1.962,1249 1.524,1250 1.49,1251 1.631,1252 1.733,1253 0.853,1254 1.719,1255 1.398,1256 1.35,1257 1.573,1258 1.593,1259 0.735,1260 1.584,1261 1.293,1262 1.252,1263 1.523,1264 1.512,1265 0.643,1266 1.532,1267 1.197,1268 1.124,1269 1.469,1270 1.481,1271 0.574,1272 1.488,1273 1.094,1274 1.015,1275 1.434,1276 1.319,1277 0.533,1278 1.361,1279 4.344,1281 5.666,1283 7.203,1285 8.84,1287 10.531,1289 1.573,1295 3.565,1296 2.896,1297 5.506,1298 1.235,1300 1.576,1305 38.18,1306 95.972,1307 222.188,1308 276.068,1309 303.72,1310 313.72,1311 315.72,1312 62.977,1313 8.313,1314 99,1315 124.3,1316 30,1317 12.85,1318 4.459,1319 3.755,1320 49.916,1321 147,1322 164,1323 0.158,1324 235.574,1325 414.76,1326 566.561,1327 56434,1329 23.493,1330 0.691,1331 0.573,1332 23.847,1333 19.47,1334 16.635,1335 0.438,1336 0.317,1337 10.985,1338 15.567,1339 10.66,1340 8.811,1341 17.089,1342 12.04,1343 14.659,1344 0.277,1345 0.168,1346 15.21,1347 8.878,1348 12.801,1349 0.175,1350 0.091,1351 13.536,1352 6.672,1353 11.152,1354 0.113,1355 0.05,1356 11.917,1357 4.94,1358 9.41,1359 0.072,1360 0.028,1361 10.257,1362 3.695,1363 0.249,1364 108.848,1365 0.196,1366 31.35,1367 0.433,1368 182,1369 556.98,1370 223.387,1371 555.273,1372 762.3,1373 522,1374 217,1375 549.101,1376 256.454,1377 566.668,1378 835.55,1379 533,1380 5.464}
{0 CHEMBL1230020,1 2.082,2 10,3 3.768,4 14.197,5 98.861,6 10.094,7 0.552,8 3.85,9 3.929,10 3.793,11 3.455,12 5.092,13 3.441,14 4.377,15 4.493,16 4.109,17 3.831,18 5.867,19 3.816,20 4.639,21 4.795,22 4.219,23 3.907,24 6.08,25 3.898,26 4.633,27 4.775,28 4.268,29 3.839,30 6.398,31 3.861,32 4.566,33 4.696,34 4.176,35 3.776,36 6.311,37 3.796,38 4.493,39 4.637,40 4.131,41 3.713,42 6.047,43 3.736,44 4.464,45 4.621,46 4.02,47 3.632,48 6.303,49 3.635,50 4.354,51 4.54,52 3.938,53 3.524,54 5.865,55 3.479,56 0.225,57 0.758,58 5.948,59 3.96,60 39.021,61 3.501,62 0.571,63 1.185,64 13.505,65 7.01,66 90.283,67 6.806,68 0.941,69 1.471,70 23.616,71 9.001,72 143.309,73 8.416,74 1.292,75 1.6,76 24.487,77 9.13,78 227.35,79 7.35,80 1.187,81 1.303,82 17.657,83 7.732,84 198.265,85 6.459,86 0.968,87 1.433,88 19.899,89 7.853,90 154.093,91 6.642,92 1.18,93 1.35,94 14.778,95 7.11,96 213.546,97 6.515,98 0.907,99 1.03,100 20.115,101 7.122,102 129.051,103 6.493,104 54,105 43,106 0.362,107 0.736,108 0.857,109 0.885,110 0.885,111 0.885,112 3.341,113 1.026,114 -3.76,115 -3.72,116 -3.54,119 41.5,120 1,121 1,125 1,142 3,143 3,144 4,145 1,151 1,157 1,161 1,172 4,174 1,175 3,178 3,180 3,183 4,187 6,192 4,195 3,199 6,202 1,204 2,207 3,211 1,212 6,215 1,217 2,220 3,224 1,229 2,232 6,236 2,237 3,241 1,242 2,245 3,250 4,253 1,258 2,263 3,266 2,268 1,271 3,275 1117,276 17.508,277 17.508,278 17.508,279 17.508,280 17.508,281 15.102,282 9.931,283 9.968,284 17.991,285 14.211,286 14.211,287 14.211,288 14.211,289 14.211,290 10.454,291 6.141,292 4.577,293 15.1,294 3.276,295 1.122,296 0.427,297 0.262,298 0.262,299 0.262,300 4.011,301 1,304 1,305 1,306 566,307 4,310 58.129,311 162.885,314 109.256,318 1.556,319 63.062,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 270,332 4.724,333 4.459,334 6.959,335 4.283,336 3.307,337 4.565,339 11.67,340 3.247,341 4.647,342 3.72,343 6.747,344 4.139,345 3.194,346 4.496,348 11.053,349 2.988,350 4.416,351 3.21,352 6.525,353 3.929,354 2.974,355 4.166,357 10.176,358 2.821,359 3.788,360 3,361 5.766,362 3.358,363 2.398,364 3.218,366 7.61,367 2.292,368 3.556,369 2.71,370 5.372,371 3.077,372 2.175,373 2.938,375 6.414,376 1.937,377 3.401,378 2.628,379 4.959,380 2.92,381 2.002,382 2.727,384 5.783,385 1.752,386 3.073,387 1.949,388 4.652,389 2.592,390 1.639,391 2.306,393 4.574,394 1.549,395 2.782,396 1.727,397 4.324,398 2.273,399 1.306,400 1.885,402 3.618,403 1.248,404 2.533,405 1.261,406 3.878,407 2.117,408 1.127,409 1.482,411 2.556,412 1.113,413 2.182,414 1.238,415 3.602,416 1.977,417 1.015,418 1.16,420 1.918,421 0.956,422 2.03,423 0.882,424 3.229,425 1.471,426 0.545,427 0.778,428 1.353,429 0.489,430 1.598,431 0.757,432 3.02,433 1.254,434 0.338,435 0.405,436 0.807,437 0.304,438 1.17,439 0.74,440 2.749,441 0.744,442 -0.179,443 -0.223,445 -0.442,446 -0.148,447 1,448 0.407,449 2.568,450 0.448,451 -0.397,452 -0.52,454 -0.789,455 -0.283,456 0.999,457 0.19,458 2.375,459 0.429,460 -0.494,461 -0.527,463 -0.931,464 -0.439,465 12.819,466 0.475,467 0.941,468 0.035,469 36.25,470 1.343,471 19,472 0.704,473 17.25,474 0.639,475 21.809,476 0.808,477 29.781,478 0.726,479 30.411,480 1.126,481 6.951,482 0.257,483 5.78,484 0.214,485 0.217,486 0.065,487 0.351,491 2,493 0.545,494 1.045,495 0.652,496 1.107,497 0.589,498 0.838,499 0.601,500 1.008,501 0.811,502 1.044,503 0.576,504 0.906,505 1.049,506 1.064,507 0.963,508 0.993,509 1.044,510 0.902,511 1.154,512 1.098,513 0.967,514 1.031,515 1.161,516 0.836,517 1.193,518 1,519 0.86,520 0.827,521 1.299,522 0.876,523 1.309,524 1.321,525 0.95,526 1.085,527 1.408,528 0.992,529 1.103,530 1.251,531 0.806,532 0.882,533 1.06,534 1.024,535 1.14,536 1.143,537 1.028,538 1.063,539 1.106,540 1.037,541 7,542 0.132,543 4,544 2.882,545 2.138,546 1.08,547 0.94,548 0.494,549 0.351,550 0.195,551 7608,552 31568,553 1.963,554 34.1,555 3,556 5,557 1,558 1,559 2,561 2,564 1.706,565 1.77,566 3.28,567 0.377,569 1,573 85.36,574 2.082,575 4.235,576 4.93,577 5.095,578 5.095,579 5.095,580 2.718,581 4.533,582 4.726,583 3.426,584 1202.48,585 8.23,586 14929.7,588 1,590 1,591 219.66,592 1.74,593 4.637,594 0.241,595 0.01,596 0.093,597 0.064,598 0.048,599 0.026,600 0.025,601 0.015,602 0.013,603 0.01,604 0.545,605 0.33,606 1,607 1.385,608 131.774,610 -0.071,611 0.107,612 -0.061,613 -0.074,614 0.039,615 0.086,616 -0.084,617 -0.019,618 -0.062,619 0.106,620 0.007,621 -0.131,622 -0.118,623 -0.028,624 -0.02,625 -0.118,626 0.06,627 0.016,628 0.042,629 -0.024,630 0.018,631 0.078,632 0.084,633 -0.032,634 0.004,635 -0.026,636 0.083,637 -0.038,638 0.007,639 -0.117,640 -0.097,641 -0.024,642 -0.121,643 -0.212,644 -0.068,645 0.149,646 0.049,647 -0.013,648 0.019,649 0.193,650 -0.127,651 -0.05,652 -0.017,653 0.079,654 -0.026,655 -0.064,656 -0.02,657 4.731,658 6.786,659 0.556,660 22.217,661 1.046,662 1.136,663 2.526,664 6.381,665 0.71,666 3.401,667 3.784,668 4.043,669 4.331,670 4.511,671 4.585,672 4.7,673 4.787,674 4.754,675 4.762,676 5.899,677 0.699,678 413.86,679 3.401,680 4.977,681 5.838,682 6.751,683 7.633,684 8.548,685 9.44,686 10.356,687 11.253,688 12.168,689 7.3,694 1,697 1,699 1,703 2,704 5,705 1,706 1,709 6,711 16,716 1,730 3,731 41,733 19,734 1,735 29,737 43,738 17,739 13,740 4,741 2,742 1,746 3,747 4,748 1,752 1,758 1,761 14,762 3,766 3,769 1,771 3,775 1,778 1,779 2,781 14,782 7,783 2,784 10,785 2,790 3,794 0.667,795 3,805 1,807 1,811 1,812 2,815 1,840 2,842 1,844 1,845 1,846 2,848 27,852 1,854 2,855 1,869 3,870 7.3,873 3,877 15.25,878 7.712,879 5.861,880 2.453,881 3.302,882 1.454,883 1.005,884 5.406,885 10.574,886 3.714,887 4.416,888 4.972,889 5.604,890 6.116,891 6.447,892 6.841,893 7.227,894 7.379,895 7.689,896 0.857,897 45,898 10.447,900 5.068,901 8.464,902 18.068,904 15.038,905 2.964,906 80.028,909 1,910 141.253,911 104.883,912 49.976,913 39.149,914 69.458,915 29.92,916 5.807,917 99.075,918 249.86,919 79.896,920 8.825,921 3.434,922 43.284,923 121.268,924 59.276,925 41.691,926 117.711,927 39.149,928 141.253,929 149.051,930 99.378,931 44.956,933 147.631,934 93,937 39.808,938 76.053,939 78.147,941 171.173,942 119.434,943 144.031,945 5.807,946 141.253,947 43.727,948 55.349,949 33.191,950 155.312,951 141.253,952 149.354,953 144.031,955 0.596,956 0.348,957 0.191,958 0.098,959 21,960 11,961 0.14,962 6,963 1,964 1.133,965 3.627,966 235.898,967 0.133,968 15,969 126.382,973 1,974 19.589,975 7.451,976 3.92,977 0.617,978 132.569,979 5.835,980 3.99,981 2.728,984 -3.55,986 33.191,987 434.639,988 40,991 -3.814,993 36.519,997 -0.961,999 42.898,1000 46.573,1001 0.389,1002 0.791,1003 0.92,1004 0.951,1005 0.951,1006 0.951,1007 4.977,1008 1.306,1009 5.894,1010 4.574,1011 4.466,1012 5.103,1014 6.792,1015 4.357,1016 6.261,1017 1.127,1018 7.52,1019 3.618,1020 4.369,1021 5.33,1023 8.019,1024 4.188,1025 7.643,1026 1.015,1027 9.251,1028 2.556,1029 6.196,1030 7.508,1032 11.06,1033 6.005,1034 9.065,1035 0.545,1036 11.04,1037 1.918,1038 6.858,1039 8.488,1041 13.027,1042 6.609,1043 10.516,1044 0.338,1045 12.864,1046 1.353,1047 8.243,1048 10.229,1050 15.659,1051 7.981,1052 11.987,1053 -0.179,1054 14.712,1055 0.807,1056 9.207,1057 11.509,1059 17.899,1060 8.901,1061 13.473,1062 -0.397,1063 16.576,1064 -0.442,1065 10.446,1066 13.1,1068 20.4,1069 10.119,1070 3.307,1071 -0.494,1072 18.452,1073 -0.789,1074 11.533,1075 14.504,1077 22.748,1078 11.169,1079 3.194,1080 11.67,1081 20.337,1082 -0.931,1083 12.723,1084 16.04,1086 25.202,1087 12.335,1088 2.974,1089 11.053,1090 22.229,1091 4.565,1092 13.859,1093 17.498,1095 27.595,1096 13.44,1097 2.398,1098 10.176,1099 24.127,1100 4.496,1101 15.035,1102 19.012,1104 30.033,1105 14.591,1106 2.175,1107 7.61,1108 26.028,1109 4.166,1110 16.192,1111 20.494,1113 32.448,1114 15.721,1115 2.002,1116 6.414,1117 27.934,1118 3.218,1119 17.364,1120 22.001,1122 34.881,1123 16.87,1124 1.639,1125 5.783,1126 29.842,1127 2.938,1128 18.531,1129 23.494,1131 37.306,1132 18.012,1133 7624,1134 15673,1135 18.205,1136 29.091,1137 44.355,1138 47.401,1139 46.895,1140 44.271,1141 44.04,1142 60.252,1144 135.065,1145 41.391,1146 5.574,1147 6.459,1148 6.676,1149 5.326,1150 5.307,1151 7.565,1153 19.344,1154 5.247,1155 17.232,1156 1.529,1157 1.635,1158 1.617,1159 1.527,1160 1.519,1161 2.078,1163 4.657,1164 1.427,1165 4.134,1166 4.162,1167 4.723,1168 4.042,1169 8.21,1170 4.042,1171 4.02,1172 4.013,1173 4.141,1174 3.963,1175 8.191,1176 3.89,1177 3.836,1178 3.833,1179 3.89,1180 3.767,1181 7.716,1182 3.723,1183 3.435,1184 3.478,1185 3.659,1186 3.321,1187 7.427,1188 3.321,1189 3.392,1190 3.441,1191 3.24,1192 3.23,1193 6.999,1194 3.185,1195 3.138,1196 3.164,1197 3.155,1198 2.94,1199 5.103,1200 2.964,1201 2.937,1202 2.985,1203 2.936,1204 2.723,1205 4.66,1206 2.748,1207 2.789,1208 2.857,1209 2.808,1210 2.594,1211 4.502,1212 2.613,1213 0.163,1214 0.154,1215 0.24,1216 0.148,1217 0.114,1218 4.724,1219 0.157,1220 4.459,1222 6.959,1223 0.402,1224 4.283,1225 0.112,1226 3.307,1227 4.565,1229 11.67,1230 3.247,1231 1.941,1232 1.935,1233 1.968,1234 2.044,1235 1.273,1236 2.055,1237 1.851,1238 1.838,1239 1.904,1240 1.973,1241 1.104,1242 1.969,1243 1.748,1244 1.747,1245 1.877,1246 1.88,1247 1.001,1248 1.906,1249 1.499,1250 1.451,1251 1.623,1252 1.702,1253 0.7,1254 1.691,1255 1.33,1256 1.292,1257 1.376,1258 1.547,1259 0.631,1260 1.593,1261 1.083,1262 1.047,1263 1.202,1264 1.282,1265 0.275,1266 1.265,1267 0.841,1268 0.814,1269 1.068,1270 1.096,1271 0.19,1272 1.102,1273 0.825,1274 0.773,1275 0.999,1276 0.997,1277 0.096,1278 1.001,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.636,1286 6.843,1287 10.324,1289 1.644,1290 5.876,1291 29.029,1295 0.076,1296 2.039,1305 28.677,1306 85.36,1307 173.644,1308 202.15,1309 208.905,1310 208.905,1311 208.905,1312 96.218,1313 7.271,1314 91.92,1315 100.3,1316 17,1317 12.683,1318 4.322,1319 3.585,1320 46.765,1321 93,1322 109,1323 0.246,1324 182.473,1325 316.99,1326 436.993,1327 12953,1328 7.3,1329 19.767,1330 0.732,1331 0.577,1332 18.777,1333 15.587,1334 12.731,1335 0.439,1336 0.342,1337 7.923,1338 11.074,1339 7.606,1340 6.276,1341 13.035,1342 9.92,1343 12.312,1344 0.286,1345 0.188,1346 13.071,1347 8.064,1348 9.756,1349 0.174,1350 0.098,1351 9.888,1352 5.482,1353 8.468,1354 0.113,1355 0.052,1356 8.641,1357 3.917,1358 6.216,1359 0.069,1360 0.025,1361 6.326,1362 2.255,1363 0.377,1364 92.697,1365 0.234,1366 25.434,1367 0.705,1368 144,1369 626.803,1370 212.35,1371 598.762,1372 768.64,1373 546,1374 171,1375 494.02,1376 242.126,1377 528.44,1378 773.65,1379 494,1380 5}
{0 CHEMBL1230790,1 1.6,2 6.55,3 2.159,4 4.66,5 78.257,6 7.695,7 0.727,8 3.681,9 3.813,10 3.271,11 3.181,12 4.881,13 3.182,14 4.156,15 4.337,16 3.651,17 3.553,18 5.304,19 3.543,20 4.365,21 4.566,22 3.708,23 3.656,24 5.499,25 3.635,26 4.446,27 4.679,28 3.7,29 3.665,30 5.579,31 3.626,32 4.361,33 4.573,34 3.547,35 3.623,36 5.466,37 3.566,38 4.314,39 4.516,40 3.468,41 3.564,42 5.463,43 3.492,44 4.399,45 4.672,46 3.1,47 3.42,48 5.524,49 3.266,50 4.17,51 4.502,52 2.396,53 2.99,54 5.052,55 2.755,56 0.082,57 0.569,58 6.955,59 2.75,60 11.316,61 3.657,62 0.157,63 0.874,64 12.315,65 4.498,66 18.121,67 6.316,68 0.224,69 1.014,70 16.084,71 4.99,72 24.678,73 7.245,74 0.336,75 1.058,76 18.445,77 5.572,78 35.337,79 8.232,80 0.275,81 0.976,82 16.203,83 4.936,84 30.088,85 7.256,86 0.201,87 0.919,88 15.067,89 5.041,90 23.631,91 7.319,92 0.399,93 0.834,94 19.121,95 5.585,96 56.893,97 8.571,98 0.265,99 0.527,100 17.428,101 5.244,102 39.984,103 7.941,104 18,105 32,106 0.291,107 0.699,108 0.791,109 0.832,110 0.832,111 0.832,112 3.06,113 0.867,114 -4.12,115 -4.07,116 -3.85,119 40,120 2,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 7,177 1,178 1,180 3,183 6,185 1,186 1,187 5,192 2,195 4,198 2,199 7,201 3,202 3,204 2,207 3,209 1,212 6,215 1,217 3,220 3,222 2,224 5,227 1,229 3,232 4,234 3,237 2,240 2,241 1,242 1,244 1,245 2,247 1,255 2,258 2,275 456,276 13.276,277 13.276,278 13.276,279 13.276,280 13.276,281 11.393,282 11.643,283 7.685,284 13.578,285 10.85,286 10.85,287 10.85,288 10.85,289 10.85,290 7.987,291 8.663,292 3.618,293 11.348,294 3.529,295 1.293,296 0.786,297 0.557,298 0.557,299 0.557,300 3.733,303 1,304 1,305 1,306 277,307 2.55,310 36.651,311 99.59,314 70.309,318 0.995,319 19.131,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 43.5,331 131,332 4.758,333 3.374,334 7.039,335 4.299,336 3.336,337 4.731,339 12.085,340 3.215,341 4.076,342 2.8,343 6.155,344 3.67,345 2.699,346 3.693,348 8.868,349 2.616,350 3.794,351 2.624,352 5.781,353 3.441,354 2.488,355 3.201,357 7.684,358 2.368,359 3.506,360 2.297,361 5.034,362 3.081,363 2.133,364 2.876,366 5.931,367 2.016,368 3.025,369 1.82,370 4.817,371 2.682,372 1.741,373 2.197,375 4.817,376 1.634,377 2.954,378 1.536,379 4.35,380 2.434,381 1.49,382 2.118,384 3.913,385 1.402,386 2.681,387 1.228,388 3.854,389 2.179,390 1.204,391 1.765,393 2.786,394 1.171,395 2.457,396 1,397 3.508,398 1.964,399 1,400 1.438,402 2.515,403 0.962,404 2.112,405 0.815,406 3.445,407 1.738,408 0.778,409 1.007,411 1.978,412 0.745,413 1.063,414 -0.057,415 2.608,416 0.634,417 -0.285,418 -0.362,420 -0.664,421 -0.26,422 0.953,423 -0.152,424 2.417,425 0.533,426 -0.4,427 -0.507,428 -0.892,429 -0.367,430 0.769,431 -0.61,432 2.252,433 0.33,434 -0.633,435 -0.852,436 -1.809,437 -0.607,438 0.562,439 -0.813,440 2,441 0.065,442 -0.875,443 -1,445 -2,446 -0.819,447 0.169,448 -1,449 2,451 -1,452 -1.158,454 -2.441,455 -1,457 -1.118,458 1.671,459 -0.222,460 -1.19,461 -1.634,463 -3.324,464 -1.152,465 9.333,466 0.467,467 0.597,468 0.03,469 28.25,470 1.413,471 15,472 0.75,473 13.25,474 0.663,475 13.895,476 0.695,477 21.267,478 0.608,479 19.059,480 0.953,481 5.458,482 0.273,483 4.118,484 0.206,485 0.186,487 0.418,493 0.965,494 1.247,495 0.79,496 0.996,497 1.101,498 0.887,499 0.69,500 1.123,501 0.67,502 0.944,503 0.534,504 0.822,505 1.139,506 1.226,507 0.916,508 0.976,509 0.936,510 0.913,511 0.893,512 0.919,513 0.875,514 0.868,515 0.801,516 0.86,517 1.132,518 1.109,519 1.183,520 1.054,521 0.873,522 1.1,523 0.969,524 1.336,525 1.215,526 1.353,527 1.005,528 1.322,529 0.895,530 0.896,531 1.266,532 1.142,533 1.022,534 1.238,535 1.022,536 0.627,537 0.944,538 0.881,539 1.208,540 0.914,541 4,543 2.444,544 1.979,545 1.616,546 0.716,547 0.478,548 0.227,549 0.061,551 3203,552 8940,553 2.048,554 42.9,556 5,558 1,559 3,561 6,564 1.627,565 1.875,566 2.771,567 1.152,569 1,571 1,573 56.009,574 1.6,575 3.836,576 4.343,577 4.572,578 4.572,579 4.572,580 2.148,581 4.022,582 4.294,583 2.876,584 546.466,585 7.384,586 5449.55,587 1,588 1,590 1,591 179.525,592 1.522,593 4.231,594 0.182,596 0.076,597 0.06,598 0.05,599 0.027,600 0.02,601 0.016,602 0.01,604 0.442,605 0.67,606 1,607 0.897,608 85.637,609 -0.075,610 -0.042,611 0.024,612 0.035,613 -0.218,614 0.041,615 0.127,616 0.002,617 0.204,618 0.06,619 0.138,620 0.129,621 -0.14,622 -0.148,623 0.004,624 -0.018,625 -0.066,626 0.012,627 0.063,628 0.122,629 0.084,630 0.067,631 0.046,632 0.075,633 -0.19,634 -0.031,635 -0.266,636 -0.107,637 -0.07,638 -0.177,639 -0.089,640 -0.277,641 -0.314,642 -0.378,643 -0.103,644 -0.38,645 0.074,646 0.008,647 -0.254,648 -0.201,649 0.041,650 -0.263,651 0.009,652 0.047,653 0.179,654 0.118,655 0.024,656 0.169,657 1.481,658 3.635,659 0.75,660 12.4,661 1.007,662 1.136,663 2.891,664 8.355,665 0.665,666 3.135,667 3.497,668 3.807,669 4.143,670 4.394,671 4.5,672 4.554,673 4.595,674 4.477,675 4.369,676 4.333,677 0.642,678 269.34,679 3.135,680 4.691,681 5.565,682 6.475,683 7.377,684 8.297,685 9.21,686 10.133,687 11.051,688 11.976,689 14.3,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,728 1,731 35,733 16,734 1,735 22,737 37,738 14,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,781 15,782 5,783 3,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 20,849 1,853 1,858 1,870 2.9,872 1,877 10.667,878 6.833,879 4.333,880 2.046,881 3.128,882 1.463,883 0.967,884 3.067,885 9.883,886 3.434,887 4.123,888 4.811,889 5.504,890 6.085,891 6.472,892 6.894,893 7.312,894 7.512,895 7.765,896 1,897 33,898 7.333,900 3.123,901 7.817,902 13.811,904 11.246,905 2.317,906 46.333,910 141.253,911 76.733,912 84.908,914 42.683,917 76.733,918 183.937,919 84.908,920 17.65,922 70.802,923 106.404,924 18.91,925 2.328,926 129.482,928 141.253,929 161.64,930 42.683,933 70.627,934 113.31,937 32.518,938 78.889,939 50.234,941 141.253,942 127.591,943 76.733,946 141.253,947 12.559,948 65.951,950 125.815,951 141.253,952 127.591,953 76.733,955 0.591,956 0.349,957 0.201,958 0.118,959 17,960 8,961 0.054,962 2,963 1,964 1.133,965 3.088,966 159.323,967 0.133,968 15,969 84.439,974 12.881,975 4.762,976 2.136,977 1.414,978 125.815,979 8.345,980 12.902,984 2.045,985 1.812,986 75.581,987 345.577,988 30,999 35.254,1000 39.777,1001 0.312,1002 0.748,1003 0.847,1004 0.891,1005 0.891,1006 0.891,1007 4.673,1008 1,1009 5.58,1010 2.786,1011 4.174,1012 4.808,1014 6.457,1015 4.09,1016 5.922,1017 0.778,1018 7.18,1019 2.515,1020 3.892,1021 4.745,1023 7.503,1024 3.765,1025 7.258,1026 -0.285,1027 8.884,1028 1.978,1029 5.82,1030 7.138,1032 10.662,1033 5.66,1034 8.636,1035 -0.4,1036 10.649,1037 -0.664,1038 6.347,1039 7.93,1041 12.57,1042 6.149,1043 10.05,1044 -0.633,1045 12.455,1046 -0.892,1047 7.795,1048 9.81,1050 15.271,1051 7.566,1052 11.49,1053 -0.875,1054 14.288,1055 -1.809,1056 8.691,1057 11.013,1059 17.53,1060 8.425,1061 12.953,1062 -1,1063 16.143,1064 -2,1065 9.963,1066 12.686,1068 20.082,1069 9.665,1070 3.336,1071 -1.19,1072 18.015,1073 -2.441,1074 11.026,1075 14.082,1077 22.482,1078 10.69,1079 2.699,1080 12.085,1081 19.9,1082 -3.324,1083 12.238,1084 15.674,1086 24.988,1087 11.869,1088 2.488,1089 8.868,1090 21.795,1091 4.731,1092 13.376,1093 17.157,1095 27.443,1096 12.969,1097 2.133,1098 7.684,1099 23.7,1100 3.693,1101 14.571,1102 18.721,1104 29.937,1105 14.13,1106 1.741,1107 5.931,1108 25.611,1109 3.201,1110 15.743,1111 20.243,1113 32.413,1114 15.264,1115 1.49,1116 4.817,1117 27.528,1118 2.876,1119 16.937,1120 21.797,1122 34.904,1123 16.422,1124 1.204,1125 3.913,1126 29.451,1127 2.197,1128 18.123,1129 23.336,1131 37.389,1132 17.572,1133 3215,1134 5479,1135 14.334,1136 23.29,1137 34.181,1138 33.627,1139 35.597,1140 33.794,1141 33.739,1142 46.051,1144 101.15,1145 32.258,1146 5.421,1147 5.374,1148 6.59,1149 5.372,1150 5.336,1151 7.731,1153 19.546,1154 5.215,1155 10.52,1156 1.554,1157 1.529,1158 1.618,1159 1.536,1160 1.534,1161 2.093,1163 4.598,1164 1.466,1165 4.131,1166 4.178,1167 4.114,1168 3.992,1169 6.471,1170 4.014,1171 3.833,1172 3.863,1173 3.776,1174 3.73,1175 5.254,1176 3.739,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.873,1182 3.399,1183 3.206,1184 3.287,1185 3.117,1186 2.985,1187 4.619,1188 3.013,1189 3.004,1190 3.113,1191 2.884,1192 2.746,1193 4.451,1194 2.75,1195 2.93,1196 3.009,1197 2.804,1198 2.693,1199 4.068,1200 2.73,1201 2.874,1202 2.971,1203 2.624,1204 2.618,1205 3.711,1206 2.59,1207 2.761,1208 2.834,1209 2.499,1210 2.587,1211 3.533,1212 2.57,1213 0.216,1214 0.153,1215 0.32,1216 0.195,1217 0.152,1218 4.758,1219 0.215,1220 3.374,1222 7.039,1223 0.549,1224 4.299,1225 0.146,1226 3.336,1227 4.731,1229 12.085,1230 3.215,1231 1.927,1232 1.907,1233 2.008,1234 2.037,1235 1.153,1236 2.021,1237 1.795,1238 1.747,1239 1.946,1240 1.981,1241 1.106,1242 1.972,1243 1.61,1244 1.546,1245 1.775,1246 1.809,1247 0.831,1248 1.811,1249 1.147,1250 1.087,1251 1.417,1252 1.407,1253 0.469,1254 1.379,1255 0.934,1256 0.839,1257 1.277,1258 1.239,1259 0.298,1260 1.308,1261 0.883,1262 0.804,1263 1.167,1264 1.23,1265 0.143,1266 1.216,1267 0.879,1268 0.783,1269 1.13,1270 1.134,1271 0.04,1272 1.13,1273 0.761,1274 0.67,1275 0.99,1276 1.063,1278 1.056,1279 3.807,1281 5.153,1282 2.398,1283 6.701,1284 4.844,1285 8.344,1286 7.081,1287 10.039,1289 4.05,1293 5.979,1294 9.635,1299 0.151,1305 22.456,1306 56.009,1307 134.264,1308 152.015,1309 160.015,1310 160.015,1311 160.015,1312 28.505,1313 6.755,1314 89.85,1315 89.85,1316 17,1317 12.483,1318 4.087,1319 3.17,1320 29.609,1321 51,1322 48,1323 0.298,1324 140.359,1325 226.29,1326 334.236,1327 6245,1329 14.276,1330 0.714,1331 0.564,1332 14.276,1333 11.278,1334 9.575,1335 0.435,1336 0.289,1337 6.263,1338 9.18,1339 6.061,1340 5.082,1341 9.575,1342 6.357,1343 8.989,1344 0.281,1345 0.153,1346 8.989,1347 4.895,1348 7.376,1349 0.168,1350 0.071,1351 7.376,1352 3.127,1353 6.511,1354 0.105,1355 0.036,1356 6.511,1357 2.211,1358 5.35,1359 0.067,1360 0.019,1361 5.35,1362 1.5,1363 0.436,1364 60.172,1365 0.264,1366 19.171,1367 0.922,1368 108,1369 310.042,1370 119.54,1371 306.875,1372 429.14,1373 286,1374 130,1375 334.323,1376 142.291,1377 338.239,1378 496.7,1379 318,1380 6.319}
{0 CHEMBL1231371,1 1.402,2 8.125,3 3.54,4 12.528,5 97.651,6 7.382,7 0.778,8 3.867,9 4.001,10 3.444,11 3.445,12 4.983,13 3.418,14 4.376,15 4.558,16 3.86,17 3.853,18 5.423,19 3.818,20 4.617,21 4.807,22 3.929,23 4.011,24 5.663,25 3.951,26 4.803,27 5.07,28 3.897,29 4.019,30 5.78,31 3.927,32 4.62,33 4.845,34 3.741,35 3.928,36 5.592,37 3.84,38 4.534,39 4.734,40 3.724,41 3.879,42 5.596,43 3.793,44 4.668,45 4.931,46 3.486,47 3.831,48 5.643,49 3.693,50 4.556,51 4.873,52 3.215,53 3.626,54 5.321,55 3.442,56 0.062,57 0.679,58 8.74,59 3.625,60 10.438,61 4.967,62 0.152,63 1.092,64 15.838,65 6.19,66 18.54,67 8.7,68 0.169,69 1.367,70 20.417,71 7.312,72 21.118,73 10.429,74 0.362,75 1.516,76 27.804,77 9.326,78 42.092,79 13.758,80 0.215,81 1.305,82 21.684,83 7.228,84 27.652,85 10.503,86 0.116,87 1.219,88 19.004,89 7.012,90 24.689,91 10.051,92 0.269,93 1.296,94 24.104,95 7.587,96 44.113,97 11.269,98 0.177,99 1.035,100 23.238,101 8.348,102 29.028,103 12.505,104 18,105 41,106 0.241,107 0.59,108 0.678,109 0.748,110 0.767,111 0.783,112 3.23,113 0.882,114 -5.69,115 -5.56,116 -5.18,119 44.2,120 3,130 1,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 11,174 2,175 8,177 1,178 1,180 1,183 18,185 1,186 1,187 6,195 14,198 2,199 9,201 3,202 3,204 1,207 11,209 1,212 8,217 2,220 7,222 2,224 11,229 5,232 8,234 5,237 7,242 2,245 7,247 2,250 5,255 2,258 6,260 2,263 2,268 1,271 6,273 1,275 758,276 15.903,277 15.903,278 15.903,279 15.903,280 15.903,281 13.543,282 11.068,283 9.073,284 16.155,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 9.76,291 12.5,292 4.306,293 13.765,294 4.024,295 1.993,296 1.481,297 1.071,298 0.96,299 0.867,300 3.924,303 1,304 1,305 1,306 426,307 3.162,310 43.187,311 158.742,314 83.07,315 87.877,318 1.219,319 14.934,321 1,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 50.5,331 195,332 4.818,333 3.574,334 7.354,335 4.445,336 3.486,337 4.756,339 12.867,340 3.343,341 4.413,342 3.11,343 6.766,344 4.047,345 3.064,346 4.327,348 10.85,349 3.013,350 4.201,351 2.879,352 6.198,353 3.856,354 2.866,355 3.497,357 9.238,358 2.835,359 3.771,360 2.401,361 5.803,362 3.353,363 2.38,364 3.246,366 7.79,367 2.314,368 3.351,369 2.052,370 5.266,371 2.93,372 1.994,373 2.594,375 6.132,376 1.863,377 3.118,378 1.618,379 4.532,380 2.618,381 1.618,382 2.427,384 4.491,385 1.618,386 3.079,387 1.579,388 4.367,389 2.54,390 1.579,391 2.367,393 4.097,394 1.518,395 2.862,396 1.371,397 4.265,398 2.347,399 1.37,400 2.04,402 3.275,403 1.334,404 2.573,405 1.11,406 3.672,407 2.057,408 1.1,409 1.607,411 2.988,412 1.05,413 2.334,414 0.978,415 3.589,416 1.886,417 0.933,418 1.273,420 2.384,421 0.887,422 2.127,423 0.642,424 3.163,425 1.628,426 0.637,427 0.947,428 1.514,429 0.631,430 1.086,431 -0.139,432 2.802,433 0.664,434 -0.27,435 -0.345,436 -0.641,437 -0.249,438 1.032,439 -0.408,440 2.682,441 0.552,442 -0.414,443 -0.586,445 -1.037,446 -0.404,447 0.882,448 -0.618,449 2.398,450 0.382,451 -0.618,452 -0.927,454 -1.598,455 -0.618,456 0.649,457 -0.77,458 2.253,459 0.132,460 -0.809,461 -1,463 -2.304,464 -0.755,465 11.5,466 0.479,467 0.809,468 0.034,469 34,470 1.417,471 18.5,472 0.771,473 15.5,474 0.646,475 19.192,476 0.8,477 24.5,478 0.57,479 23.663,480 0.986,481 6.407,482 0.267,483 5.041,484 0.21,485 0.165,486 0.043,487 0.339,493 0.858,494 1.152,495 0.793,496 0.968,497 1.151,498 0.89,499 0.69,500 1.005,501 0.657,502 0.838,503 0.54,504 0.76,505 1.228,506 1.25,507 1.063,508 1.109,509 0.876,510 1.075,511 0.929,512 0.798,513 0.827,514 0.776,515 0.877,516 0.787,517 1.48,518 1.037,519 1.18,520 0.997,521 1.155,522 1.044,523 1.14,524 1.39,525 1.16,526 1.293,527 1.13,528 1.24,529 1.586,530 0.992,531 1.334,532 1.059,533 1.927,534 1.148,535 0.647,536 0.789,537 0.782,538 0.833,539 0.623,540 0.825,541 5.5,542 0.037,543 3.333,544 2.097,545 2.234,546 1.035,547 0.607,548 0.434,549 0.249,550 0.112,551 5742,552 13221,553 2.099,554 44.2,556 7,558 1,559 2,561 9,564 1.676,565 1.933,566 3.009,567 0.255,569 1,573 60.298,574 1.402,575 3.433,576 3.945,577 4.356,578 4.466,579 4.559,580 2.44,581 4.387,582 4.559,583 3.15,584 869.349,585 7.901,586 9725.85,588 1,590 1,591 233.329,592 1.666,593 4.495,594 0.204,595 0.009,596 0.081,597 0.05,598 0.056,599 0.03,600 0.018,601 0.018,602 0.013,603 0.009,604 0.489,605 0.33,606 0.88,607 0.813,608 110.691,609 0.074,610 -0.005,611 0.06,612 0.019,613 -0.209,614 0.034,615 0.288,616 0.078,617 0.253,618 0.144,619 0.26,620 0.185,621 -0.113,622 -0.157,623 -0.143,624 -0.161,625 -0.045,626 -0.157,627 0.209,628 0.186,629 0.184,630 0.176,631 0.181,632 0.177,633 -0.31,634 0.019,635 -0.221,636 -0.058,637 -0.185,638 -0.116,639 -0.135,640 -0.342,641 -0.236,642 -0.329,643 -0.02,644 -0.301,645 -0.369,646 0.012,647 -0.332,648 -0.13,649 -0.499,650 -0.21,651 0.114,652 0.034,653 0.261,654 0.187,655 0.224,656 0.231,657 1.45,658 2.159,659 0.792,660 16.965,661 0.993,662 1.126,663 4.46,664 19.892,665 0.683,666 3.332,667 3.738,668 4.043,669 4.382,670 4.673,671 4.82,672 4.934,673 5.088,674 5.17,675 5.193,676 5.04,677 0.646,678 317.43,679 3.332,680 4.92,681 5.802,682 6.73,683 7.637,684 8.569,685 9.486,686 10.42,687 11.342,688 12.278,689 11.6,693 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 43,733 21,734 2,735 27,737 46,738 19,739 15,740 3,741 7,746 4,747 6,752 3,761 15,762 4,763 1,777 1,778 1,781 19,782 4,783 2,784 5,790 5,794 0.5,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 3,848 24,849 1,860 1,877 12.417,878 8.8,879 5,880 2.514,881 4.305,882 1.57,883 1.012,884 3.24,885 11.856,886 3.651,887 4.379,888 5.087,889 5.792,890 6.422,891 6.861,892 7.352,893 7.877,894 8.3,895 8.647,896 1,897 42,898 8.823,900 3.797,901 7.58,902 17.034,904 14.318,905 2.08,906 49.917,909 1,910 200.109,911 119.132,912 84.908,917 119.132,918 200.109,919 84.908,920 26.476,922 99.231,923 63.72,924 24.056,925 2.328,926 188.338,928 200.109,929 204.04,933 94.169,934 105.94,937 41.343,938 112.463,939 50.234,941 200.109,942 84.908,943 119.132,946 200.109,947 17.704,948 103.205,950 83.131,951 200.109,952 84.908,953 119.132,955 0.603,956 0.35,957 0.196,958 0.115,959 23,960 10,961 0.043,962 2,963 2,964 1.211,965 3.459,966 213.948,967 0.211,968 19,969 102.039,974 14.949,975 5.201,976 2.425,977 3.94,978 83.131,979 16.079,980 13.423,984 2.297,985 1.922,986 32.897,987 404.149,988 37.5,999 42.694,1000 48.398,1001 0.258,1002 0.633,1003 0.727,1004 0.803,1005 0.823,1006 0.84,1007 4.914,1008 1.37,1009 5.855,1010 4.097,1011 4.419,1012 5.066,1014 6.777,1015 4.361,1016 6.192,1017 1.1,1018 7.488,1019 3.275,1020 4.29,1021 5.075,1023 8.034,1024 4.207,1025 7.554,1026 0.933,1027 9.233,1028 2.988,1029 6.163,1030 7.445,1032 11.123,1033 6.049,1034 8.956,1035 0.637,1036 11.044,1037 2.384,1038 6.825,1039 8.273,1041 13.168,1042 6.679,1043 10.391,1044 -0.27,1045 12.897,1046 1.514,1047 8.251,1048 10.143,1050 15.856,1051 8.074,1052 11.849,1053 -0.414,1054 14.777,1055 -0.641,1056 9.239,1057 11.356,1059 18.193,1060 9.023,1061 13.326,1062 -0.618,1063 16.678,1064 -1.037,1065 10.515,1066 13.023,1068 20.765,1069 10.266,1070 3.486,1071 -0.809,1072 18.593,1073 -1.598,1074 11.637,1075 14.415,1077 23.219,1078 11.346,1079 3.064,1080 12.867,1081 20.52,1082 -2.304,1083 12.867,1084 16,1086 25.761,1087 12.538,1088 2.866,1089 10.85,1090 22.457,1091 4.756,1092 14.046,1093 17.474,1095 28.263,1096 13.673,1097 2.38,1098 9.238,1099 24.4,1100 4.327,1101 15.267,1102 19.029,1104 30.8,1105 14.852,1106 1.994,1107 7.79,1108 26.351,1109 3.497,1110 16.472,1111 20.541,1113 33.325,1114 16.012,1115 1.618,1116 6.132,1117 28.306,1118 3.246,1119 17.694,1120 22.086,1122 35.864,1123 17.19,1124 1.579,1125 4.491,1126 30.266,1127 2.594,1128 18.913,1129 23.615,1131 38.4,1132 18.364,1133 5494,1134 8472,1135 17.8,1136 29.358,1137 42.738,1138 41.975,1139 43.133,1140 42.067,1141 42.055,1142 58.159,1144 131.251,1145 40.811,1146 5.501,1147 5.574,1148 7.042,1149 5.518,1150 5.486,1151 7.756,1153 20.803,1154 5.343,1155 11.824,1156 1.583,1157 1.555,1158 1.598,1159 1.558,1160 1.558,1161 2.154,1163 4.861,1164 1.512,1165 4.166,1166 4.206,1167 4.143,1168 4.083,1169 5.258,1170 4.087,1171 4.006,1172 4.04,1173 3.967,1174 3.889,1175 4.925,1176 3.91,1177 3.65,1178 3.717,1179 3.525,1180 3.516,1181 4.827,1182 3.506,1183 3.468,1184 3.513,1185 3.389,1186 3.371,1187 4.521,1188 3.369,1189 3.169,1190 3.256,1191 3.075,1192 2.988,1193 4.303,1194 2.992,1195 3.036,1196 3.115,1197 2.92,1198 2.873,1199 4.12,1200 2.888,1201 2.974,1202 3.061,1203 2.857,1204 2.681,1205 3.845,1206 2.719,1207 2.874,1208 3.009,1209 2.526,1210 2.618,1211 3.678,1212 2.57,1213 0.178,1214 0.132,1215 0.272,1216 0.165,1217 0.129,1218 4.818,1219 0.176,1220 3.574,1222 7.354,1223 0.477,1224 4.445,1225 0.124,1226 3.486,1227 4.756,1229 12.867,1230 3.343,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.846,1238 1.801,1239 1.991,1240 2.035,1241 1.197,1242 2.015,1243 1.706,1244 1.653,1245 1.827,1246 1.877,1247 0.928,1248 1.873,1249 1.476,1250 1.431,1251 1.634,1252 1.609,1253 0.668,1254 1.622,1255 1.12,1256 1.066,1257 1.417,1258 1.372,1259 0.469,1260 1.348,1261 1.011,1262 0.945,1263 1.417,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.304,1270 1.239,1271 0.369,1272 1.308,1273 0.934,1274 0.804,1275 1.213,1276 1.222,1277 0.181,1278 1.24,1279 4.007,1281 5.389,1282 2.398,1283 6.969,1284 4.844,1285 8.638,1286 7.096,1287 10.354,1289 6.297,1293 6.159,1301 -0.2,1305 27.795,1306 60.298,1307 147.639,1308 169.639,1309 187.29,1310 192.045,1311 196.045,1312 31.107,1313 7.551,1314 69.62,1315 69.62,1316 23,1317 12.779,1318 4.459,1319 3.524,1320 33.607,1321 71,1322 74,1323 0.235,1324 171.076,1325 275.46,1326 409.186,1327 17994,1329 16.897,1330 0.704,1331 0.583,1332 16.897,1333 13.985,1334 11.449,1335 0.424,1336 0.294,1337 7.861,1338 11.129,1339 7.524,1340 6.325,1341 11.449,1342 7.938,1343 11.399,1344 0.278,1345 0.17,1346 11.399,1347 6.951,1348 9.184,1349 0.164,1350 0.074,1351 9.184,1352 4.152,1353 8.118,1354 0.103,1355 0.038,1356 8.118,1357 2.981,1358 6.931,1359 0.065,1360 0.02,1361 6.931,1362 2.126,1363 0.352,1364 70.811,1365 0.237,1366 22.677,1367 0.701,1368 136,1369 327.893,1370 145.769,1371 332.625,1372 477.41,1373 312,1374 165,1375 380.645,1376 175.963,1377 391.388,1378 576.03,1379 367,1380 4}
{0 CHEMBL1233881,1 1.617,2 8.583,3 2.613,4 6.827,5 92.135,6 7.568,7 0.593,8 3.894,9 4.016,10 3.486,11 3.373,12 5.013,13 3.38,14 4.412,15 4.591,16 3.81,17 3.724,18 5.451,19 3.717,20 4.536,21 4.728,22 3.922,23 3.825,24 5.596,25 3.815,26 4.607,27 4.797,28 3.942,29 3.888,30 5.716,31 3.865,32 4.684,33 4.894,34 3.801,35 3.914,36 5.676,37 3.849,38 4.626,39 4.842,40 3.743,41 3.858,42 5.622,43 3.775,44 4.659,45 4.92,46 3.591,47 3.736,48 5.615,49 3.627,50 4.497,51 4.763,52 3.329,53 3.495,54 5.417,55 3.38,56 0.073,57 0.677,58 8.848,59 3.641,60 9.562,61 4.785,62 0.307,63 1.025,64 17.287,65 5.848,66 23.523,67 7.899,68 0.341,69 1.168,70 19.599,71 6.257,72 23.824,73 9.031,74 0.366,75 1.267,76 20.779,77 6.754,78 32.174,79 9.455,80 0.439,81 1.276,82 23.538,83 7.359,84 35.422,85 10.511,86 0.301,87 1.216,88 21.661,89 7.435,90 28.397,91 10.929,92 0.479,93 1.117,94 24.65,95 7.476,96 42.798,97 11.419,98 0.444,99 0.877,100 21.657,101 6.428,102 37.55,103 9.583,104 14,105 39,106 0.281,107 0.637,108 0.758,109 0.807,110 0.816,111 0.824,112 3.23,113 0.882,114 -4.38,115 -4.31,116 -4.07,119 39.5,121 3,124 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 9,177 1,178 1,180 1,183 4,185 1,186 2,187 10,195 3,198 2,199 10,201 3,202 3,204 1,207 3,209 1,211 1,212 7,217 2,220 3,222 2,223 2,224 5,229 3,232 5,234 3,236 3,237 1,239 1,240 1,242 1,245 4,247 1,249 2,250 2,252 1,253 1,258 1,263 3,275 788,276 16.671,277 16.671,278 16.671,279 16.671,280 16.671,281 14.84,282 16.719,283 9.58,284 17.259,285 13.196,286 13.196,287 13.196,288 13.196,289 13.196,290 10.255,291 15.44,292 4.325,293 13.965,294 3.809,295 1.758,296 1.065,297 0.779,298 0.733,299 0.686,300 3.922,303 1,304 1,305 1,306 451,307 2.55,309 45.207,310 46.85,311 127.358,314 89.844,318 1.201,319 20.445,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 206,332 4.765,333 3.397,334 7.051,335 4.313,336 3.35,337 4.733,338 0.86,339 12.148,340 3.228,341 4.263,342 3.182,343 6.289,344 3.855,345 2.902,346 3.916,347 0.86,348 9.462,349 2.765,350 3.897,351 2.809,352 6.128,353 3.652,354 2.689,355 3.253,357 8.896,358 2.584,359 3.708,360 2.452,361 5.747,362 3.313,363 2.36,364 3.113,366 7.61,367 2.241,368 3.256,369 2.178,370 5.096,371 2.944,372 1.995,373 2.39,375 5.747,376 1.89,377 3.008,378 2.041,379 4.516,380 2.523,381 1.614,382 2.248,384 4.324,385 1.461,386 2.919,387 1.562,388 4.33,389 2.462,390 1.524,391 2.057,393 3.982,394 1.425,395 2.615,396 1.298,397 4.245,398 2.194,399 1.235,400 1.659,402 3.476,403 1.182,404 2.42,405 1.155,406 3.656,407 1.968,408 1.038,409 1.395,411 2.517,412 0.961,413 1.869,414 0.944,415 3.043,416 1.544,417 0.647,418 0.77,420 1.184,421 0.575,422 1.457,423 0.906,424 2.972,425 1.292,426 0.344,427 0.374,428 0.768,429 0.311,430 1.43,431 0.352,432 2.702,433 1.182,434 0.3,435 0.332,436 0.443,437 0.274,438 1.045,440 2.618,441 1,447 1,448 -0.002,449 2.465,450 0.627,451 -0.29,452 -0.364,454 -0.647,455 -0.266,456 0.867,457 -0.192,458 2.404,459 0.472,460 -0.452,461 -0.562,463 -0.879,464 -0.411,465 11.167,466 0.465,467 0.534,468 0.022,469 32,470 1.333,471 15.5,472 0.646,473 16.5,474 0.688,475 18.463,476 0.769,477 26.033,478 0.605,479 22.616,480 0.942,481 6.176,482 0.257,483 5.548,484 0.231,485 0.125,487 0.394,493 0.889,494 1.345,495 0.757,496 1.156,497 0.945,498 0.964,499 1.213,500 1.03,501 0.829,502 0.867,503 0.865,504 0.804,505 0.925,506 1.21,507 0.771,508 0.933,509 0.739,510 0.832,511 1.039,512 1.079,513 0.978,514 1.023,515 1,516 0.989,517 1.239,518 1.048,519 1.188,520 0.999,521 1.158,522 1.066,523 0.711,524 1.263,525 1.069,526 1.266,527 1.047,528 1.23,529 0.707,530 0.957,531 0.981,532 1.037,533 1.056,534 1.046,535 0.974,536 0.891,537 1.024,538 1.019,539 0.902,540 1.032,541 4,542 0.045,543 3,544 2.042,545 1.829,546 0.83,547 0.505,548 0.448,549 0.228,550 0.097,551 5806,552 14901,553 2.135,554 44.2,555 2,556 10,558 1,559 2,561 4,564 1.677,565 2,566 3.086,567 0.337,568 1,569 1,571 1,573 69.522,574 1.617,575 3.668,576 4.362,577 4.647,578 4.693,579 4.74,580 2.471,581 4.502,582 4.555,583 3.19,584 880.426,585 7.902,586 9940.48,588 1,590 1,591 233.329,592 1.406,593 4.518,594 0.148,595 0.009,596 0.081,597 0.05,598 0.045,599 0.024,600 0.016,601 0.017,602 0.012,603 0.008,604 0.41,605 0.17,606 1,607 0.865,608 111.154,609 -0.017,610 -0.124,611 0.073,612 -0.083,613 -0.045,614 -0.002,615 -0.075,616 0.053,617 0.108,618 0.137,619 0.064,620 0.143,621 0.064,622 -0.121,623 0.161,624 0.054,625 0.157,626 0.118,627 -0.04,628 0.049,629 -0.056,630 -0.057,631 0.013,632 -0.063,633 -0.225,634 0.006,635 -0.244,636 -0.023,637 -0.217,638 -0.119,639 0.036,640 -0.213,641 -0.156,642 -0.262,643 -0.097,644 -0.245,645 0.168,646 -0.015,647 0.012,648 -0.08,649 0.018,650 -0.06,651 0.103,652 -0.016,653 0.008,654 -0.065,655 0.119,656 -0.047,657 1.227,658 2.134,659 0.792,660 18.319,661 1.008,662 1.135,663 3.148,664 9.911,665 0.657,666 3.332,667 3.689,668 4.06,669 4.344,670 4.615,671 4.787,672 4.956,673 5.094,674 5.112,675 5.081,676 5.146,677 0.633,678 325.41,679 3.332,680 4.89,681 5.784,682 6.696,683 7.609,684 8.531,685 9.452,686 10.379,687 11.304,688 12.233,689 11.6,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 43,733 16,734 1,735 27,737 46,738 17,739 11,740 3,741 3,746 4,747 5,755 4,758 4,761 11,762 6,777 1,778 1,781 19,782 6,783 2,784 7,790 5,794 0.75,795 2,803 1,806 1,810 1,811 1,812 2,815 1,840 3,844 2,848 24,849 1,854 3,856 2,858 1,870 4.7,875 2,877 12,878 8.383,879 5.361,880 2.53,881 3.123,882 1.426,883 0.999,884 3.866,885 10.454,886 3.584,887 4.245,888 4.948,889 5.607,890 6.2,891 6.635,892 7.106,893 7.563,894 7.856,895 8.141,896 0.833,897 41,898 8.831,900 3.772,901 7.646,902 16.989,904 14.136,905 2.146,906 51.5,909 1,910 200.109,911 89.462,912 84.908,914 22,917 89.462,918 222.109,919 84.908,920 21.766,921 7.604,922 61.326,923 63.72,924 51.397,925 2.328,926 188.338,928 200.109,929 174.37,930 22,933 153.024,934 69.084,937 22.471,938 101.665,939 50.234,941 200.109,942 106.908,943 89.462,946 200.109,947 30.649,948 60.59,950 105.131,951 200.109,952 106.908,953 89.462,955 0.58,956 0.369,957 0.202,958 0.111,959 21,960 9,961 0.087,962 4,963 1,964 1.105,965 3.539,966 210.158,967 0.105,968 19,969 104.039,974 15.364,975 6.039,976 2.463,977 1.577,978 105.131,979 7.202,980 13.376,984 3.438,985 1.989,986 32.897,987 396.479,988 35,999 43.349,1000 48.817,1001 0.298,1002 0.676,1003 0.804,1004 0.856,1005 0.865,1006 0.874,1007 4.836,1008 1.235,1009 5.784,1010 3.982,1011 4.369,1012 4.931,1013 1.376,1014 6.671,1015 4.269,1016 6.061,1017 1.038,1018 7.387,1019 3.476,1020 4.007,1021 4.856,1023 7.722,1024 3.871,1025 7.402,1026 0.647,1027 9.094,1028 2.517,1029 6.047,1030 7.249,1031 1.159,1032 10.883,1033 5.871,1034 8.784,1035 0.344,1036 10.862,1037 1.184,1038 6.538,1039 8.053,1041 12.777,1042 6.319,1043 10.201,1044 0.3,1045 12.668,1046 0.768,1047 8.025,1048 9.909,1049 0.963,1050 15.46,1051 7.777,1052 11.644,1054 14.501,1055 0.443,1056 8.899,1057 11.117,1059 17.698,1060 8.606,1061 13.106,1062 -0.29,1063 16.353,1065 10.181,1066 12.772,1067 0.787,1068 20.236,1069 9.86,1070 3.35,1071 -0.452,1072 18.219,1073 -0.647,1074 11.228,1075 14.166,1077 22.618,1078 10.864,1079 2.902,1080 12.148,1081 20.097,1082 -0.879,1083 12.439,1084 15.747,1085 0.634,1086 25.114,1087 12.044,1088 2.689,1089 9.462,1090 21.985,1091 4.733,1092 13.564,1093 17.224,1095 27.558,1096 13.128,1097 2.36,1098 8.896,1099 23.88,1100 3.916,1101 14.754,1102 18.78,1103 0.504,1104 30.046,1105 14.285,1106 1.995,1107 7.61,1108 25.783,1109 3.253,1110 15.915,1111 20.296,1113 32.517,1114 15.408,1115 1.614,1116 5.747,1117 27.691,1118 3.113,1119 17.102,1120 21.844,1121 0.395,1122 35.006,1123 16.561,1124 1.524,1125 4.324,1126 29.604,1127 2.39,1128 18.281,1129 23.378,1131 37.49,1132 17.703,1133 5583,1134 9068,1135 18.205,1136 28.267,1137 40.104,1138 40.787,1139 42.591,1140 40.026,1141 39.998,1142 52.479,1143 3.44,1144 121.111,1145 37.792,1146 5.765,1147 5.397,1148 6.669,1149 5.386,1150 5.35,1151 7.733,1152 1.72,1153 19.679,1154 5.228,1155 10.64,1156 1.485,1157 1.511,1158 1.577,1159 1.482,1160 1.481,1161 1.944,1162 0.127,1163 4.486,1164 1.4,1165 4.149,1166 4.197,1167 4.128,1168 4.008,1169 5.257,1170 4.03,1171 3.875,1172 3.901,1173 3.821,1174 3.772,1175 4.943,1176 3.777,1177 3.768,1178 3.819,1179 3.659,1180 3.641,1181 4.836,1182 3.642,1183 3.313,1184 3.382,1185 3.234,1186 3.057,1187 4.518,1188 3.09,1189 3.247,1190 3.314,1191 3.052,1192 2.952,1193 4.494,1194 2.961,1195 3.173,1196 3.263,1197 3.032,1198 2.883,1199 4.274,1200 2.906,1201 2.992,1202 3.098,1203 2.863,1204 2.721,1205 4.105,1206 2.747,1207 2.783,1208 2.859,1209 2.601,1210 2.636,1211 3.691,1212 2.617,1213 0.176,1214 0.126,1215 0.261,1216 0.16,1217 0.124,1218 4.765,1219 0.175,1220 3.397,1221 0.032,1222 7.051,1223 0.45,1224 4.313,1225 0.12,1226 3.35,1227 4.733,1228 0.86,1229 12.148,1230 3.228,1231 1.932,1232 1.911,1233 2.096,1234 2.088,1235 1.491,1236 2.087,1237 1.9,1238 1.851,1239 1.992,1240 2.02,1241 1.127,1242 2.011,1243 1.716,1244 1.678,1245 1.795,1246 1.892,1247 0.865,1248 1.873,1249 1.263,1250 1.208,1251 1.576,1252 1.554,1253 0.576,1254 1.546,1255 1.191,1256 1.115,1257 1.566,1258 1.523,1259 0.574,1260 1.539,1261 1.106,1262 1.017,1263 1.281,1264 1.419,1265 0.387,1266 1.4,1267 0.887,1268 0.811,1269 1.142,1270 1.199,1271 0.325,1272 1.188,1273 0.8,1274 0.726,1275 1.083,1276 1.083,1277 0.188,1278 1.088,1279 4.007,1281 5.389,1282 2.398,1283 6.963,1284 4.844,1285 8.624,1286 7.081,1287 10.331,1289 3.23,1293 6.134,1295 3.455,1297 10.713,1299 0.385,1305 27.224,1306 69.522,1307 157.714,1308 187.555,1309 199.82,1310 201.82,1311 203.82,1312 31.753,1313 7.33,1314 88.08,1315 88.08,1316 21,1317 12.737,1318 4.087,1319 3.17,1320 33.582,1321 72,1322 80,1323 0.231,1324 165.739,1325 274.62,1326 396.163,1327 12916,1329 16.681,1330 0.695,1331 0.57,1332 16.681,1333 13.691,1334 11.724,1335 0.434,1336 0.294,1337 7.775,1338 11.103,1339 7.579,1340 6.294,1341 11.724,1342 7.937,1343 10.314,1344 0.264,1345 0.151,1346 10.314,1347 5.905,1348 9.527,1349 0.167,1350 0.081,1351 9.527,1352 4.596,1353 7.87,1354 0.104,1355 0.038,1356 7.87,1357 2.863,1358 6.498,1359 0.065,1360 0.02,1361 6.498,1362 1.984,1363 0.347,1364 74.717,1365 0.234,1366 22.771,1367 0.684,1368 132,1369 391.364,1370 147.193,1371 372.409,1372 523.21,1373 352,1374 162,1375 401.384,1376 179.053,1377 405.227,1378 598.62,1379 379,1380 7.77}
{0 CHEMBL1233882,1 1.465,2 8.043,3 2.612,4 6.825,5 90.484,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.948,13 3.341,14 4.285,15 4.464,16 3.798,17 3.735,18 5.383,19 3.717,20 4.487,21 4.69,22 3.868,23 3.852,24 5.565,25 3.821,26 4.561,27 4.788,28 3.82,29 3.857,30 5.644,31 3.801,32 4.488,33 4.705,34 3.654,35 3.801,36 5.489,37 3.724,38 4.428,39 4.64,40 3.608,41 3.731,42 5.502,43 3.652,44 4.497,45 4.764,46 3.393,47 3.642,48 5.479,49 3.521,50 4.337,51 4.646,52 3.13,53 3.4,54 5.211,55 3.244,56 0.046,57 0.654,58 7.273,59 3.04,60 8.667,61 4.033,62 0.141,63 1.029,64 13.478,65 5.082,66 16.445,67 7.001,68 0.163,69 1.214,70 17.402,71 5.88,72 19.112,73 8.292,74 0.303,75 1.264,76 19.775,77 6.562,78 31.778,79 9.31,80 0.174,81 1.155,82 17.891,83 6.144,84 22.112,85 8.653,86 0.14,87 1.093,88 16.567,89 5.952,90 24.112,91 8.384,92 0.24,93 1.077,94 20.128,95 6.375,96 35.112,97 9.35,98 0.226,99 0.844,100 18.901,101 6.414,102 29.778,103 9.639,104 11,105 38,106 0.256,107 0.648,108 0.785,109 0.837,110 0.837,111 0.837,112 3.19,113 0.864,114 -4.45,115 -4.38,116 -4.13,119 43.6,120 2,127 1,142 5,143 3,145 1,146 2,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 10,177 1,178 1,180 1,183 8,185 1,186 1,187 8,195 7,198 2,199 9,201 3,202 3,204 1,207 7,209 1,212 7,217 2,220 4,222 2,223 1,224 9,229 4,232 5,234 4,236 1,237 3,242 1,245 4,247 1,249 2,250 2,252 1,253 1,255 1,258 2,260 1,263 2,271 2,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.264,282 9.487,283 9.059,284 15.962,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.221,291 7.5,292 4.27,293 13.357,294 3.82,295 1.581,296 0.798,297 0.5,298 0.5,299 0.5,300 3.888,303 1,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 15.894,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49,331 185,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.396,342 2.923,343 6.247,344 3.895,345 2.913,346 4.324,348 9.372,349 2.856,350 3.85,351 2.664,352 6.069,353 3.511,354 2.554,355 3.298,357 8.561,358 2.442,359 3.744,360 2.399,361 5.712,362 3.327,363 2.367,364 3.179,366 7.453,367 2.272,368 3.118,369 1.822,370 4.82,371 2.685,372 1.744,373 2.427,375 4.819,376 1.638,377 3.08,378 1.618,379 4.531,380 2.605,381 1.618,382 2.368,384 4.487,385 1.595,386 3.016,387 1.579,388 4.367,389 2.524,390 1.579,391 2.141,393 4.088,394 1.488,395 2.86,396 1.368,397 3.864,398 2.332,399 1.368,400 2.035,402 2.999,403 1.315,404 2.527,405 1.059,406 3.614,407 2.008,408 1.058,409 1.539,411 2.733,412 1.002,413 2.186,414 0.856,415 3.486,416 1.794,417 0.827,418 1.077,420 2.06,421 0.798,422 2.085,423 0.639,424 3.162,425 1.6,426 0.632,427 0.922,428 1.506,429 0.611,430 1.084,431 -0.144,432 2.682,433 0.658,434 -0.273,435 -0.348,436 -0.643,437 -0.251,438 1.03,439 -0.409,440 2.425,441 0.54,442 -0.415,443 -0.587,445 -1.037,446 -0.398,447 0.882,448 -0.618,449 2.262,450 0.367,451 -0.618,452 -0.927,454 -1.598,455 -0.608,456 0.644,457 -0.776,458 2.229,459 0.127,460 -0.811,461 -1,463 -2,464 -0.756,465 10.9,466 0.474,467 0.61,468 0.027,469 34,470 1.478,471 18.5,472 0.804,473 15.5,474 0.674,475 16.133,476 0.701,477 23.3,478 0.597,479 23.007,480 1,481 6.505,482 0.283,483 4.643,484 0.202,485 0.128,487 0.404,493 0.868,494 1.228,495 0.738,496 0.978,497 1.076,498 0.864,499 0.81,500 1.066,501 0.699,502 0.873,503 0.64,504 0.789,505 1.168,506 1.149,507 0.884,508 0.921,509 0.839,510 0.872,511 1.032,512 0.88,513 0.971,514 0.89,515 1.002,516 0.916,517 1.272,518 1.084,519 1.181,520 1.083,521 1.049,522 1.112,523 1.074,524 1.243,525 1.157,526 1.245,527 1.168,528 1.219,529 1.216,530 0.979,531 1.201,532 1.06,533 1.553,534 1.116,535 0.536,536 0.733,537 0.792,538 0.867,539 0.603,540 0.867,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 13268,553 2.141,554 41,556 6,558 2,559 2,561 6,564 1.663,565 2,566 3.014,567 0.321,568 1,569 1,571 1,573 57.134,574 1.465,575 3.704,576 4.487,577 4.785,578 4.785,579 4.785,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,589 1,590 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.33,606 1,607 0.777,608 104.655,609 0.027,610 -0.08,611 0.059,612 -0.011,613 -0.178,614 0.021,615 0.167,616 0.02,617 0.178,618 0.088,619 0.166,620 0.126,621 -0.104,622 -0.088,623 0.035,624 0.021,625 0.029,626 0.043,627 0.075,628 0.155,629 -0.014,630 0.049,631 0.045,632 0.013,633 -0.279,634 -0.062,635 -0.251,636 -0.125,637 -0.169,638 -0.173,639 -0.117,640 -0.229,641 -0.234,642 -0.281,643 -0.083,644 -0.276,645 -0.172,646 -0.039,647 -0.183,648 -0.1,649 -0.322,650 -0.135,651 0.314,652 0.084,653 0.3,654 0.163,655 0.335,656 0.217,657 1.219,658 2.104,659 0.826,660 15.981,661 1.001,662 1.13,663 3.218,664 10.356,665 0.688,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.661,678 304.39,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 15.4,693 1,697 1,699 4,703 4,704 7,705 4,709 3,710 1,711 21,722 1,731 39,733 21,734 1,735 26,737 42,738 17,739 14,740 3,741 3,746 4,747 6,752 2,758 1,761 14,762 3,777 1,778 1,781 16,782 5,783 2,784 6,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,858 1,877 11.5,878 7.75,879 4.944,880 2.369,881 4.316,882 1.577,883 1.034,884 3.154,885 11.795,886 3.624,887 4.341,888 5.068,889 5.772,890 6.396,891 6.819,892 7.316,893 7.841,894 8.264,895 8.596,896 1,897 40,898 8.437,900 3.62,901 7.63,902 16.169,904 13.433,905 2.13,906 49,910 164.795,911 99.973,912 101.693,917 99.973,918 164.795,919 101.693,920 17.65,922 80.278,923 92.277,924 32.675,925 2.328,926 141.253,928 164.795,929 201.667,933 94.169,934 70.627,937 43.709,938 90.938,939 67.02,941 164.795,942 101.693,943 99.973,946 164.795,947 17.276,948 84.474,950 99.917,951 164.795,952 101.693,953 99.973,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.048,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 13.951,975 5.2,976 2.202,977 3.568,978 99.917,979 13.297,980 17.593,984 2.233,985 1.885,986 32.897,987 366.462,988 36.5,999 39.029,1000 44.066,1001 0.277,1002 0.701,1003 0.849,1004 0.905,1005 0.905,1006 0.905,1007 4.862,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 5.027,1014 6.632,1015 4.27,1016 6.113,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.956,1023 7.667,1024 3.908,1025 7.453,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.398,1032 10.825,1033 5.855,1034 8.836,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.195,1041 12.713,1042 6.328,1043 10.255,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 10.095,1050 15.399,1051 7.767,1052 11.699,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.297,1059 17.635,1060 8.615,1061 13.165,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.976,1068 20.172,1069 9.862,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.365,1077 22.553,1078 10.878,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.954,1086 25.048,1087 12.055,1088 2.554,1089 9.372,1090 21.934,1091 4.737,1092 13.51,1093 17.426,1095 27.49,1096 13.145,1097 2.367,1098 8.561,1099 23.83,1100 4.324,1101 14.7,1102 18.982,1104 29.975,1105 14.301,1106 1.744,1107 7.453,1108 25.732,1109 3.298,1110 15.861,1111 20.49,1113 32.444,1114 15.425,1115 1.618,1116 4.819,1117 27.64,1118 3.179,1119 17.047,1120 22.034,1122 34.929,1123 16.577,1124 1.579,1125 4.487,1126 29.553,1127 2.427,1128 18.225,1129 23.56,1131 37.41,1132 17.718,1133 4990,1134 8065,1135 17.512,1136 26.841,1137 40.362,1138 39.93,1139 41.515,1140 40.014,1141 39.997,1142 56.095,1144 120.33,1145 38.481,1146 5.429,1147 5.376,1148 6.727,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 10.072,1156 1.552,1157 1.536,1158 1.597,1159 1.539,1160 1.538,1161 2.157,1163 4.628,1164 1.48,1165 4.157,1166 4.198,1167 4.135,1168 4.052,1169 5.258,1170 4.064,1171 3.987,1172 4.027,1173 3.953,1174 3.857,1175 4.997,1176 3.88,1177 3.578,1178 3.656,1179 3.445,1180 3.418,1181 4.851,1182 3.407,1183 3.453,1184 3.502,1185 3.376,1186 3.341,1187 4.527,1188 3.343,1189 3.157,1190 3.245,1191 3.05,1192 2.951,1193 4.307,1194 2.97,1195 3.006,1196 3.107,1197 2.892,1198 2.807,1199 4.046,1200 2.817,1201 2.948,1202 3.022,1203 2.84,1204 2.679,1205 3.948,1206 2.716,1207 2.874,1208 3.009,1209 2.525,1210 2.618,1211 3.68,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.128,1218 4.762,1219 0.182,1220 3.376,1222 7.039,1223 0.465,1224 4.303,1225 0.124,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 2.045,1232 2.023,1233 2.116,1234 2.123,1235 1.237,1236 2.123,1237 1.825,1238 1.781,1239 1.948,1240 2.02,1241 1.145,1242 1.993,1243 1.647,1244 1.584,1245 1.808,1246 1.846,1247 0.897,1248 1.843,1249 1.445,1250 1.396,1251 1.612,1252 1.592,1253 0.638,1254 1.603,1255 1.099,1256 1.037,1257 1.417,1258 1.365,1259 0.469,1260 1.345,1261 0.946,1262 0.875,1263 1.255,1264 1.239,1265 0.278,1266 1.308,1267 0.934,1268 0.804,1269 1.188,1270 1.207,1271 0.169,1272 1.207,1273 0.826,1274 0.747,1275 1.066,1276 1.115,1277 0.034,1278 1.111,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.137,1293 6.104,1299 0.183,1305 25.762,1306 57.134,1307 144.463,1308 175.011,1309 186.621,1310 186.621,1311 186.621,1312 27.405,1313 7.478,1314 82.51,1315 82.51,1316 23,1317 12.676,1318 4.459,1319 3.524,1320 31.639,1321 67,1322 68,1323 0.235,1324 158.686,1325 251.86,1326 378.953,1327 16621,1329 15.974,1330 0.695,1331 0.562,1332 15.974,1333 12.932,1334 11.148,1335 0.429,1336 0.288,1337 7.393,1338 10.754,1339 7.163,1340 5.985,1341 11.148,1342 7.488,1343 10.335,1344 0.272,1345 0.151,1346 10.335,1347 5.755,1348 8.979,1349 0.166,1350 0.072,1351 8.979,1352 3.884,1353 7.939,1354 0.104,1355 0.037,1356 7.939,1357 2.78,1358 6.765,1359 0.067,1360 0.019,1361 6.765,1362 1.953,1363 0.352,1364 69.484,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 339.538,1370 139.157,1371 339.997,1372 486.63,1373 320,1374 156,1375 385.758,1376 168.462,1377 392.135,1378 579,1379 370,1380 7.77}
{0 CHEMBL1234354,1 1.615,2 11.677,3 1.617,4 2.615,5 117.408,6 7.337,7 0.353,8 4.168,9 4.287,10 3.713,11 3.631,12 5.278,13 3.632,14 4.731,15 4.906,16 4.083,17 4.031,18 5.804,19 4.008,20 4.986,21 5.19,22 4.208,23 4.213,24 6.024,25 4.176,26 5.06,27 5.267,28 4.209,29 4.282,30 6.107,31 4.221,32 5.141,33 5.366,34 4.218,35 4.329,36 6.195,37 4.256,38 5.147,39 5.369,40 4.197,41 4.313,42 6.224,43 4.231,44 5.133,45 5.366,46 4.082,47 4.234,48 6.208,49 4.135,50 5.061,51 5.339,52 3.883,53 4.087,54 5.958,55 3.965,56 0.09,57 0.865,58 12.456,59 5.075,60 14.836,61 6.799,62 0.494,63 1.358,64 24.571,65 8.675,66 42.967,67 11.801,68 0.598,69 1.677,70 32.809,71 10.349,72 57.192,73 14.953,74 0.585,75 1.801,76 35.113,77 11.688,78 60.427,79 16.709,80 0.689,81 1.901,82 38.892,83 12.488,84 78.468,85 18.212,86 0.605,87 1.866,88 39.068,89 13.043,90 92.049,91 18.913,92 0.937,93 1.794,94 39.585,95 12.042,96 105.917,97 17.825,98 0.547,99 1.601,100 37.742,101 11.093,102 62.502,103 17.458,104 32,105 48,106 0.264,107 0.634,108 0.819,109 0.859,110 0.859,111 0.859,112 3.473,113 0.921,114 -3.68,115 -3.65,116 -3.48,119 37.9,120 1,121 4,124 1,125 2,127 2,135 1,136 1,142 2,143 2,145 1,146 1,147 2,150 1,158 1,163 1,164 1,165 1,172 7,174 4,175 13,177 2,178 2,183 7,187 13,190 1,195 6,198 2,199 13,201 1,202 1,204 2,207 7,209 2,211 3,212 10,217 3,220 10,222 1,223 1,224 6,226 1,227 1,229 5,232 9,234 3,236 6,237 10,242 3,245 7,247 3,250 4,253 1,255 1,258 2,260 1,262 3,263 5,265 2,266 2,268 1,273 1,275 1762,276 21.102,277 21.102,278 21.102,279 21.102,280 21.102,281 19.362,282 26.275,283 12.409,284 21.757,285 16.67,286 16.67,287 16.67,288 16.67,289 16.67,290 13.898,291 37.164,292 5.77,293 17.665,294 4.243,295 1.986,296 0.854,297 0.612,298 0.612,299 0.612,300 4.167,304 1,305 1,306 772,307 3.082,311 335.78,315 137.403,318 1.667,319 38.761,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 68.5,331 362,332 4.63,333 3.811,334 7.04,335 4.307,336 3.343,337 4.247,338 1.2,339 12.067,340 3.23,341 4.209,342 3.083,343 6.335,344 3.806,345 2.83,346 3.805,347 0.86,348 9.517,349 2.762,350 3.942,351 2.927,352 6.141,353 3.7,354 2.737,355 3.333,356 0.86,357 8.904,358 2.635,359 3.743,360 2.864,361 5.396,362 3.422,363 2.485,364 2.963,365 0.293,366 7.04,367 2.329,368 3.491,369 2.688,370 5.328,371 3.284,372 2.36,373 2.761,375 6.832,376 2.171,377 3.447,378 2.421,379 5.03,380 3.022,381 2.096,382 2.546,384 5.927,385 1.932,386 3.153,387 2.216,388 5.014,389 2.831,390 1.873,391 2.349,393 5.613,394 1.786,395 3.055,396 2.044,397 4.953,398 2.701,399 1.727,400 2.125,402 5.217,403 1.665,404 2.674,405 1.806,406 4.27,407 2.347,408 1.427,409 1.61,411 3.548,412 1.3,413 2.5,414 1.452,415 3.464,416 2.182,417 1.215,418 1.5,420 2.621,421 1.168,422 2.407,423 1.145,424 3.414,425 2,426 1,427 1.39,428 2.275,429 1,430 2,431 1,432 3.414,433 1.959,434 1,435 1,436 2.275,437 0.956,438 1.733,439 1,440 3.27,441 1.428,442 0.546,443 0.61,445 0.956,446 0.473,447 1.618,448 0.993,449 3.212,450 1.297,451 0.397,452 0.422,454 0.777,455 0.349,456 1.412,457 0.844,458 2.733,459 1.105,460 0.141,461 0.174,463 0.319,464 0.134,465 14.333,466 0.462,467 0.746,468 0.024,469 37.5,470 1.21,471 16.5,472 0.532,473 21,474 0.677,475 30.251,476 0.976,477 34.867,478 0.601,479 30.318,480 0.978,481 7.19,482 0.232,483 7.821,484 0.252,485 0.144,487 0.377,493 0.889,494 1.467,495 0.808,496 1.217,497 0.817,498 1.025,499 0.96,500 1.017,501 0.855,502 0.959,503 0.695,504 0.909,505 1.052,506 1.096,507 0.916,508 0.927,509 0.788,510 0.892,511 0.963,512 1.096,513 1.006,514 1.056,515 0.936,516 1.041,517 0.926,518 0.986,519 1.009,520 0.987,521 1.281,522 1.002,523 0.881,524 1.166,525 0.976,526 1.131,527 1.197,528 1.085,529 0.911,530 1.046,531 1.12,532 1.074,533 1.181,534 1.128,535 0.708,536 1.041,537 0.921,538 1.038,539 0.645,540 1.009,541 6,542 0.157,543 3.556,544 2.188,545 2.404,546 1.778,547 1.047,548 0.512,549 0.525,550 0.289,551 11588,552 32656,553 2.065,554 46.6,556 12,558 1,559 3,560 3,561 8,564 1.744,565 1.918,566 3.42,567 0.908,569 1,573 93.664,574 1.615,575 3.872,576 5.004,577 5.246,578 5.246,579 5.246,580 2.953,581 4.632,582 4.913,583 3.592,584 1670.07,585 8.63,586 22853.4,588 1,590 1,591 339.763,592 1.462,593 4.877,594 0.176,595 0.006,596 0.074,597 0.041,598 0.045,599 0.034,600 0.021,601 0.012,602 0.015,603 0.01,604 0.433,605 0.33,606 1,607 1.159,608 158.505,609 -0.084,610 -0.198,611 0.045,612 -0.067,613 -0.09,614 0.004,615 0.041,616 0.109,617 0.08,618 0.094,619 0.05,620 0.082,621 -0.081,622 -0.021,623 0.037,624 0.088,625 0.009,626 0.091,627 -0.076,628 -0.019,629 -0.066,630 -0.031,631 -0.022,632 -0.046,633 -0.064,634 0.066,635 -0.06,636 0.018,637 -0.1,638 -0.011,639 -0.021,640 -0.153,641 -0.027,642 -0.103,643 -0.02,644 -0.075,645 0.046,646 -0.037,647 -0.146,648 -0.098,649 -0.079,650 -0.154,651 0.019,652 -0.091,653 0.053,654 -0.084,655 -0.006,656 -0.012,657 1.795,658 6.652,659 0.71,660 33.178,661 1.009,662 1.136,663 2.454,664 6.025,665 0.642,666 3.555,667 3.892,668 4.205,669 4.511,670 4.828,671 4.997,672 5.17,673 5.352,674 5.468,675 5.529,676 6.522,677 0.617,678 425.54,679 3.555,680 5.106,681 5.974,682 6.87,683 7.763,684 8.672,685 9.578,686 10.494,687 11.407,688 12.328,689 8.6,693 1,696 1,699 3,704 3,705 3,709 6,711 12,722 1,729 1,731 58,733 14,735 34,737 61,738 22,739 9,742 3,746 4,747 5,752 2,755 6,758 6,761 12,762 10,766 2,771 1,773 1,775 2,778 1,781 27,782 9,783 3,784 9,790 5,794 0.75,795 4,796 1,805 1,806 1,812 4,816 1,827 1,831 1,832 1,838 1,839 1,840 3,844 2,848 31,849 1,853 1,854 6,856 2,858 2,859 1,870 6.9,871 1,873 1,874 1,875 1,877 16.167,878 10.833,879 6.944,880 3.5,881 2.69,882 1.34,883 0.944,884 6.512,885 10.606,886 3.761,887 4.317,888 4.887,889 5.451,890 6.023,891 6.373,892 6.729,893 7.153,894 7.492,895 7.772,896 1,897 54,898 11.51,900 4.937,901 7.823,902 21.865,904 18.072,905 2.323,906 72,910 282.506,911 97.975,912 86.378,914 89.828,917 97.975,918 372.334,919 86.378,920 19.708,921 17.855,922 104.009,923 102.977,924 32.361,925 9.042,926 270.735,928 282.506,929 184.353,930 89.828,933 188.338,934 130.314,935 53.683,937 40.383,938 84.137,939 59.833,941 282.506,942 176.206,943 97.975,946 282.506,947 40.79,948 60.309,950 173.082,951 282.506,952 176.206,953 97.975,955 0.577,956 0.345,957 0.191,958 0.113,959 23,960 11,961 0.098,962 6,963 1,964 1.091,965 4.054,966 292.948,967 0.091,968 22,969 149.58,974 21.69,975 9.308,976 4.423,978 176.206,979 5.198,980 12.984,984 3.408,986 75.581,987 556.687,988 42,993 13.652,995 1.822,997 0.412,999 58.538,1000 65.896,1001 0.276,1002 0.661,1003 0.854,1004 0.895,1005 0.895,1006 0.895,1007 5.024,1008 1.727,1009 5.969,1010 5.613,1011 4.575,1012 5.004,1013 1.923,1014 6.819,1015 4.477,1016 6.216,1017 1.427,1018 7.551,1019 5.217,1020 4.205,1021 4.82,1022 0.325,1023 7.803,1024 4.078,1025 7.525,1026 1.215,1027 9.235,1028 3.548,1029 6.201,1030 7.134,1031 1.905,1032 10.948,1033 6.023,1034 8.868,1035 1,1036 10.979,1037 2.621,1038 6.648,1039 7.755,1040 0.653,1041 12.777,1042 6.447,1043 10.244,1044 1,1045 12.764,1046 2.275,1047 8.12,1048 9.571,1049 1.99,1050 15.469,1051 7.88,1052 11.644,1053 0.546,1054 14.576,1055 2.275,1056 8.951,1057 10.574,1058 1.001,1059 17.664,1060 8.688,1061 13.063,1062 0.397,1063 16.41,1064 0.956,1065 10.225,1066 12.184,1067 2.144,1068 20.209,1069 9.928,1070 3.343,1071 0.141,1072 18.262,1073 0.777,1074 11.242,1075 13.386,1076 1.37,1077 22.566,1078 10.919,1079 2.83,1080 12.067,1081 20.128,1082 0.319,1083 12.444,1084 14.901,1085 2.352,1086 25.063,1087 12.091,1088 2.737,1089 9.517,1090 22.005,1091 4.247,1092 13.551,1093 16.208,1094 1.754,1095 27.492,1096 13.168,1097 2.485,1098 8.904,1099 23.893,1100 3.805,1101 14.734,1102 17.678,1103 2.601,1104 29.976,1105 14.32,1106 2.36,1107 7.04,1108 25.789,1109 3.333,1110 15.885,1111 19.042,1112 2.143,1113 32.436,1114 15.438,1115 2.096,1116 6.832,1117 27.692,1118 2.963,1119 17.067,1120 20.491,1121 2.879,1122 34.919,1123 16.589,1124 1.873,1125 5.927,1126 29.601,1127 2.761,1128 18.24,1129 21.888,1130 2.535,1131 37.394,1132 17.728,1133 11300,1134 19081,1135 22.482,1136 37.222,1137 50.969,1138 52.81,1139 53.507,1140 50.457,1141 50.481,1142 61.82,1143 6.426,1144 148.055,1145 47.896,1146 5.63,1147 5.811,1148 6.903,1149 5.384,1150 5.343,1151 7.247,1152 2.293,1153 19.744,1154 5.23,1155 16.459,1156 1.499,1157 1.553,1158 1.574,1159 1.484,1160 1.485,1161 1.818,1162 0.189,1163 4.355,1164 1.409,1165 4.055,1166 4.091,1167 4.022,1168 3.938,1169 7.428,1170 3.953,1171 3.856,1172 3.897,1173 3.791,1174 3.736,1175 6.457,1176 3.737,1177 3.805,1178 3.85,1179 3.716,1180 3.664,1181 5.22,1182 3.675,1183 3.529,1184 3.576,1185 3.444,1186 3.296,1187 4.976,1188 3.321,1189 3.448,1190 3.49,1191 3.328,1192 3.242,1193 4.636,1194 3.256,1195 3.239,1196 3.31,1197 3.095,1198 3.003,1199 4.563,1200 3.014,1201 3.189,1202 3.283,1203 3.019,1204 2.941,1205 4.398,1206 2.933,1207 3.111,1208 3.206,1209 2.889,1210 2.921,1211 4.153,1212 2.91,1213 0.136,1214 0.112,1215 0.207,1216 0.127,1217 0.098,1218 4.63,1219 0.125,1220 3.811,1221 0.035,1222 7.04,1223 0.355,1224 4.307,1225 0.095,1226 3.343,1227 4.247,1228 1.2,1229 12.067,1230 3.23,1231 1.972,1232 1.943,1233 2.089,1234 2.113,1235 1.476,1236 2.1,1237 1.841,1238 1.799,1239 1.989,1240 1.988,1241 1.132,1242 1.994,1243 1.75,1244 1.712,1245 1.857,1246 1.921,1247 0.956,1248 1.902,1249 1.453,1250 1.401,1251 1.729,1252 1.728,1253 0.917,1254 1.727,1255 1.369,1256 1.328,1257 1.595,1258 1.609,1259 0.825,1260 1.593,1261 1.191,1262 1.117,1263 1.53,1264 1.481,1265 0.755,1266 1.499,1267 1.153,1268 1.064,1269 1.513,1270 1.449,1271 0.605,1272 1.458,1273 1.141,1274 1.051,1275 1.396,1276 1.376,1277 0.546,1278 1.429,1279 4.234,1281 5.565,1283 7.107,1285 8.754,1287 10.458,1289 3.418,1293 5.926,1294 8.996,1295 3.522,1297 10.823,1299 0.074,1300 1.766,1305 35.761,1306 93.664,1307 224.569,1308 290.253,1309 304.253,1310 304.253,1311 304.253,1312 63.827,1313 7.916,1314 125.38,1315 125.38,1316 24,1317 12.838,1318 3.907,1319 3.17,1320 49.095,1321 114,1322 166,1323 0.206,1324 218.766,1325 386.96,1326 525.548,1327 28138,1329 21.957,1330 0.708,1331 0.572,1332 21.957,1333 17.745,1334 15.012,1335 0.442,1336 0.307,1337 10.245,1338 14.251,1339 10.01,1340 8.247,1341 15.012,1342 10.437,1343 13.33,1344 0.278,1345 0.161,1346 13.33,1347 7.752,1348 11.527,1349 0.175,1350 0.088,1351 11.527,1352 5.81,1353 9.801,1354 0.109,1355 0.047,1356 9.801,1357 4.268,1358 8.276,1359 0.067,1360 0.026,1361 8.276,1362 3.167,1363 0.315,1364 95.437,1365 0.211,1366 28.669,1367 0.59,1368 164,1369 509.249,1370 184.344,1371 478.412,1372 652.61,1373 450,1374 196,1375 476.059,1376 215.737,1377 477.641,1378 705.63,1379 449,1380 9.244}
{0 CHEMBL1234815,1 1.449,2 7.857,3 2.608,4 6.803,5 83.847,6 8.098,7 0.875,8 3.668,9 3.793,10 3.326,11 3.26,12 4.851,13 3.256,14 4.136,15 4.298,16 3.7,17 3.655,18 5.272,19 3.639,20 4.304,21 4.477,22 3.749,23 3.766,24 5.415,25 3.727,26 4.371,27 4.574,28 3.656,29 3.721,30 5.48,31 3.654,32 4.306,33 4.535,34 3.449,35 3.59,36 5.32,37 3.507,38 4.201,39 4.439,40 3.297,41 3.445,42 5.253,43 3.365,44 4.109,45 4.381,46 3.131,47 3.301,48 5.041,49 3.197,50 3.824,51 4.07,52 2.857,53 3.047,54 4.831,55 2.944,56 0.047,57 0.56,58 5.812,59 2.585,60 7.435,61 3.233,62 0.14,63 0.882,64 10.531,65 4.293,66 12.6,67 5.536,68 0.091,69 1.013,70 12.751,71 5.281,72 13.705,73 6.906,74 0.214,75 1.068,76 14.714,77 5.738,78 23.056,79 7.654,80 0.131,81 0.953,82 14.918,83 5.407,84 18.499,85 7.351,86 0.161,87 0.863,88 13.697,89 4.509,90 25.274,91 6.078,92 0.12,93 0.739,94 13.907,95 4.882,96 18.468,97 6.96,98 0.084,99 0.57,100 9.592,101 3.41,102 13.441,103 4.719,104 5,105 35,106 0.26,107 0.612,108 0.728,109 0.821,110 0.846,111 0.867,112 3.105,113 0.833,114 -4.98,115 -4.88,116 -4.57,119 47.1,124 1,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 11,174 2,175 5,177 1,178 1,180 1,183 15,185 1,186 1,187 3,195 14,198 2,199 6,201 3,202 3,204 1,207 8,209 1,212 8,217 2,220 4,222 2,224 8,229 2,232 2,234 2,237 7,242 2,245 1,247 2,250 5,255 2,260 2,263 2,268 1,273 1,275 503,276 14.43,277 14.43,278 14.43,279 14.43,280 14.43,281 11.98,282 6.325,283 8.372,284 14.667,285 11.854,286 11.854,287 11.854,288 11.854,289 11.854,290 8.209,291 5,292 3.958,293 12.242,294 3.639,295 1.681,296 1.034,297 0.515,298 0.375,299 0.257,300 3.805,303 1,304 1,305 1,306 369,307 2,310 35.554,311 133.551,314 68.728,315 74.373,318 1.129,319 12.824,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 165,332 4.741,333 3.329,334 6.987,335 4.273,336 3.305,337 4.723,339 11.875,340 3.201,341 4.392,342 2.907,343 6.213,344 3.897,345 2.903,346 4.323,348 9.294,349 2.883,350 3.79,351 2.414,352 5.873,353 3.374,354 2.4,355 3.274,357 7.985,358 2.336,359 3.648,360 2.371,361 5.501,362 3.194,363 2.26,364 3.086,366 6.773,367 2.107,368 3.118,369 1.618,370 4.532,371 2.618,372 1.618,373 2.427,375 4.491,376 1.618,377 3.079,378 1.58,379 4.367,380 2.54,381 1.579,382 2.368,384 4.105,385 1.518,386 2.865,387 1.426,388 4.327,389 2.351,390 1.378,391 2.042,393 3.66,394 1.337,395 2.712,396 1.352,397 3.66,398 2.243,399 1.296,400 1.799,402 2.992,403 1.223,404 2.462,405 1.032,406 3.583,407 1.953,408 1.01,409 1.445,411 2.472,412 0.95,413 2.137,414 0.646,415 3.163,416 1.636,417 0.643,418 0.958,420 1.519,421 0.638,422 1.102,423 -0.078,424 2.682,425 0.686,426 -0.235,427 -0.296,428 -0.556,429 -0.216,430 1.046,431 -0.373,432 2.441,433 0.586,434 -0.396,435 -0.549,436 -0.993,437 -0.39,438 0.882,439 -0.509,440 2.278,441 0.382,442 -0.618,443 -0.817,445 -1.514,446 -0.573,447 0.751,448 -0.618,449 2.242,450 0.288,451 -0.628,452 -0.927,454 -1.598,455 -0.618,456 0.447,457 -0.923,458 2,459 0.031,460 -0.952,461 -1.32,463 -2.658,464 -0.934,465 10,466 0.476,467 0.521,468 0.025,469 32.5,470 1.548,471 18.5,472 0.881,473 14,474 0.667,475 12.289,476 0.585,477 20.6,478 0.606,479 21.417,480 1.02,481 6.456,482 0.307,483 3.781,484 0.18,485 0.09,487 0.39,493 0.875,494 1.091,495 0.707,496 0.873,497 1.101,498 0.787,499 0.836,500 0.858,501 0.722,502 0.759,503 0.648,504 0.731,505 0.917,506 1.147,507 0.89,508 1.036,509 0.853,510 0.975,511 0.814,512 0.986,513 1.065,514 1.12,515 0.911,516 1.126,517 1.159,518 1.109,519 1.106,520 1.086,521 0.874,522 1.088,523 1.477,524 1.032,525 1.228,526 1.006,527 1.654,528 1.067,529 0.918,530 0.946,531 0.875,532 0.901,533 0.878,534 0.885,535 1.128,536 1.119,537 1.142,538 1.134,539 1.003,540 1.139,541 3.5,543 2.667,544 1.792,545 1.539,546 0.521,547 0.364,548 0.318,549 0.089,550 0.054,551 4269,552 10926,553 2.185,554 38.2,556 10,558 1,559 2,564 1.635,565 2.066,566 2.97,567 0.331,569 1,571 1,573 49.258,574 1.449,575 3.406,576 4.053,577 4.572,578 4.712,579 4.83,580 2.398,581 4.011,582 4.368,583 3.065,584 643.721,585 7.499,586 6531.4,587 1,588 1,589 1,590 1,591 172.974,592 1.342,593 4.334,594 0.146,596 0.076,597 0.05,598 0.05,599 0.021,600 0.017,601 0.018,602 0.007,603 0.009,604 0.393,605 0.5,606 1,607 0.532,608 92.426,609 0.03,610 0.003,611 0.052,612 0.031,613 -0.215,614 0.042,615 0.138,616 0.211,617 0.112,618 0.162,619 0.113,620 0.139,621 -0.024,622 -0.126,623 -0.034,624 -0.094,625 -0.013,626 -0.071,627 0.202,628 0.026,629 -0.144,630 -0.182,631 0.076,632 -0.206,633 -0.17,634 -0.143,635 -0.128,636 -0.12,637 0.016,638 -0.118,639 -0.327,640 -0.032,641 -0.231,642 -0.07,643 -0.382,644 -0.123,645 0.01,646 -0.058,647 0.205,648 0.124,649 0.093,650 0.179,651 -0.14,652 -0.183,653 -0.122,654 -0.152,655 0.022,656 -0.138,657 1.212,658 2.016,659 0.905,660 13.283,661 1.001,662 1.122,663 3.747,664 14.039,665 0.708,666 3.219,667 3.584,668 3.932,669 4.263,670 4.522,671 4.575,672 4.718,673 4.883,674 4.963,675 4.905,676 4.713,677 0.683,678 275.34,679 3.219,680 4.779,681 5.666,682 6.575,683 7.48,684 8.394,685 9.306,686 10.222,687 11.136,688 12.053,689 14.7,693 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 34,733 21,734 2,735 24,737 37,738 16,739 15,740 3,741 7,746 4,747 6,761 15,762 1,777 1,778 1,781 13,782 4,783 2,784 5,790 5,794 0.5,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 1,848 21,849 1,877 10.167,878 6.55,879 4.5,880 1.914,881 4.342,882 1.593,883 1.075,884 2.577,885 11.659,886 3.57,887 4.301,888 5.03,889 5.729,890 6.342,891 6.731,892 7.239,893 7.767,894 8.188,895 8.486,896 1,897 36,898 7.688,900 3.316,901 7.627,902 14.725,904 12.288,905 2.127,906 44.667,907 0.001,910 129.482,911 101.053,912 84.908,917 101.053,918 129.482,919 84.908,920 8.396,922 99.231,923 63.72,924 24.056,925 2.328,926 117.711,928 129.482,929 185.961,933 129.482,937 14.867,938 120.86,939 50.234,941 129.482,942 84.908,943 101.053,946 129.482,947 17.704,948 85.125,950 83.131,951 129.482,952 84.908,953 101.053,955 0.59,956 0.362,957 0.209,958 0.117,959 20,960 8,961 0.027,962 1,963 2,964 1.211,965 3.317,966 175.968,967 0.211,968 19,969 92.239,974 12.155,975 4.453,976 1.834,977 3.913,978 83.131,979 15.954,980 12.904,984 2.286,985 1.734,986 32.897,987 315.443,988 34.5,999 34.043,1000 38.152,1001 0.285,1002 0.67,1003 0.797,1004 0.899,1005 0.926,1006 0.949,1007 4.798,1008 1.296,1009 5.666,1010 3.66,1011 4.263,1012 4.987,1014 6.538,1015 4.203,1016 6.054,1017 1.01,1018 7.259,1019 2.992,1020 3.892,1021 4.913,1023 7.548,1024 3.806,1025 7.396,1026 0.643,1027 8.955,1028 2.472,1029 5.905,1030 7.372,1032 10.708,1033 5.797,1034 8.781,1035 -0.235,1036 10.713,1037 1.519,1038 6.382,1039 8.166,1041 12.582,1042 6.247,1043 10.2,1044 -0.396,1045 12.511,1046 -0.556,1047 7.869,1048 10.072,1050 15.261,1051 7.713,1052 11.645,1053 -0.618,1054 14.336,1055 -0.993,1056 8.735,1057 11.273,1059 17.485,1060 8.55,1061 13.11,1062 -0.628,1063 16.182,1064 -1.514,1065 10.019,1066 12.953,1068 20.013,1069 9.812,1070 3.305,1071 -0.952,1072 18.043,1073 -1.598,1074 11.06,1075 14.34,1077 22.381,1078 10.821,1079 2.903,1080 11.875,1081 19.917,1082 -2.658,1083 12.269,1084 15.929,1086 24.862,1087 12.005,1088 2.4,1089 9.294,1090 21.8,1091 4.723,1092 13.387,1093 17.399,1095 27.289,1096 13.09,1097 2.26,1098 7.985,1099 23.692,1100 4.323,1101 14.572,1102 18.953,1104 29.759,1105 14.246,1106 1.618,1107 6.773,1108 25.59,1109 3.274,1110 15.724,1111 20.459,1113 32.211,1114 15.366,1115 1.579,1116 4.491,1117 27.495,1118 3.086,1119 16.904,1120 22.001,1122 34.679,1123 16.514,1124 1.378,1125 4.105,1126 29.404,1127 2.427,1128 18.073,1129 23.524,1131 37.143,1132 17.649,1133 4006,1134 6525,1135 16.414,1136 24.074,1137 37.137,1138 36.685,1139 38.075,1140 36.823,1141 36.784,1142 52.893,1144 110.336,1145 35.624,1146 5.402,1147 5.329,1148 6.674,1149 5.345,1150 5.305,1151 7.723,1153 19.209,1154 5.201,1155 7.616,1156 1.547,1157 1.529,1158 1.586,1159 1.534,1160 1.533,1161 2.204,1163 4.597,1164 1.484,1165 4.155,1166 4.193,1167 4.131,1168 4.078,1169 5.259,1170 4.082,1171 3.996,1172 4.032,1173 3.959,1174 3.869,1175 4.925,1176 3.892,1177 3.468,1178 3.522,1179 3.393,1180 3.378,1181 4.829,1182 3.374,1183 3.374,1184 3.464,1185 3.272,1186 3.089,1187 4.515,1188 3.121,1189 3.07,1190 3.129,1191 2.961,1192 2.971,1193 4.264,1194 2.96,1195 2.976,1196 3.074,1197 2.864,1198 2.798,1199 3.865,1200 2.803,1201 2.888,1202 2.991,1203 2.671,1204 2.581,1205 3.723,1206 2.597,1207 2.609,1208 2.674,1209 2.465,1210 2.488,1211 3.602,1212 2.475,1213 0.198,1214 0.139,1215 0.291,1216 0.178,1217 0.138,1218 4.741,1219 0.197,1220 3.329,1222 6.987,1223 0.495,1224 4.273,1225 0.133,1226 3.305,1227 4.723,1229 11.875,1230 3.201,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.814,1238 1.776,1239 1.87,1240 2,1241 0.97,1242 1.965,1243 1.545,1244 1.493,1245 1.706,1246 1.761,1247 0.762,1248 1.741,1249 1.345,1250 1.265,1251 1.581,1252 1.55,1253 0.601,1254 1.567,1255 1.079,1256 1.029,1257 1.296,1258 1.247,1259 0.363,1260 1.254,1261 0.933,1262 0.87,1263 1.18,1264 1.22,1265 0.144,1266 1.235,1267 0.804,1268 0.688,1269 1.068,1270 1.082,1271 0.01,1272 1.088,1273 0.622,1274 0.554,1275 0.942,1276 0.877,1278 0.88,1279 3.892,1281 5.242,1282 2.398,1283 6.804,1284 4.844,1285 8.461,1286 7.05,1287 10.166,1289 1.86,1293 6.016,1305 23.214,1306 49.258,1307 115.812,1308 137.812,1309 155.464,1310 160.219,1311 164.219,1312 21.809,1313 7.317,1314 69.62,1315 69.62,1316 23,1317 12.564,1318 4.459,1319 3.524,1320 27.899,1321 59,1322 56,1323 0.238,1324 142.299,1325 223.56,1326 338.97,1327 13881,1329 14.397,1330 0.686,1331 0.547,1332 14.397,1333 11.485,1334 10.237,1335 0.427,1336 0.278,1337 6.577,1338 9.904,1339 6.401,1340 5.327,1341 10.237,1342 6.662,1343 9.404,1344 0.269,1345 0.143,1346 9.404,1347 4.992,1348 8.403,1349 0.168,1350 0.073,1351 8.403,1352 3.673,1353 7.452,1354 0.106,1355 0.038,1356 7.452,1357 2.648,1358 6.339,1359 0.07,1360 0.02,1361 6.339,1362 1.844,1363 0.357,1364 63.688,1365 0.247,1366 20.264,1367 0.704,1368 118,1369 309.893,1370 126.77,1371 312.385,1372 447.05,1373 294,1374 144,1375 352.589,1376 153.964,1377 361.236,1378 531.24,1379 340,1380 5.959}
{0 CHEMBL1234877,1 1.806,2 9.963,3 2.133,4 4.55,5 103.321,6 8.266,7 0.533,8 3.987,9 4.097,10 3.788,11 3.498,12 5.06,13 3.477,14 4.552,15 4.72,16 4.071,17 3.877,18 5.784,19 3.856,20 4.757,21 4.943,22 4.053,23 3.966,24 5.894,25 3.934,26 4.778,27 5,28 3.941,29 3.908,30 5.904,31 3.85,32 4.647,33 4.884,34 3.916,35 3.856,36 5.609,37 3.801,38 4.629,39 4.825,40 4.001,41 3.908,42 5.812,43 3.866,44 4.742,45 4.966,46 3.978,47 3.959,48 5.729,49 3.883,50 4.747,51 4.978,52 3.92,53 3.912,54 5.807,55 3.779,56 0.141,57 0.788,58 11.144,59 4.422,60 16.234,61 5.073,62 0.529,63 1.23,64 23.034,65 7.331,66 57.711,67 8.704,68 0.593,69 1.4,70 28.168,71 8.058,72 66.848,73 10.218,74 0.811,75 1.369,76 25.978,77 7.759,78 71.87,79 10.695,80 0.461,81 1.27,82 24.016,83 6.804,84 36.529,85 10.138,86 0.575,87 1.308,88 20.332,89 6.318,90 48.201,91 8.881,92 0.458,93 1.367,94 25.814,95 7.943,96 33.881,97 11.244,98 0.723,99 1.258,100 28.809,101 9.413,102 50.396,103 12.701,104 18,105 44,106 0.306,107 0.649,108 0.798,109 0.827,110 0.827,111 0.827,112 3.341,113 1.033,114 -3.96,115 -3.91,116 -3.71,119 36.2,124 2,125 4,142 4,143 1,144 2,145 1,147 1,150 1,161 1,166 1,172 2,174 5,175 6,178 1,180 3,183 3,186 1,187 1,192 1,195 1,198 5,199 4,202 5,204 1,207 2,211 1,212 1,220 1,223 5,224 10,232 1,237 4,249 6,250 6,253 2,262 2,275 1129,276 18.058,277 18.058,278 18.058,279 18.058,280 18.058,281 15.846,282 26.559,283 10.304,284 18.898,285 14.743,286 14.743,287 14.743,288 14.743,289 14.743,290 11.191,291 41.967,292 4.834,293 16.02,294 3.749,295 1.722,296 0.841,297 0.67,298 0.67,299 0.67,300 4.035,303 1,304 1,305 1,306 582,307 3,310 59.494,311 225.582,314 106.362,318 1.449,319 33.051,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 60,331 269,332 4.69,333 5.127,334 6.735,335 4.158,336 3.239,337 4.603,338 2.95,339 10.983,340 3.034,341 4.636,342 3.285,343 6.705,344 4.057,345 3.172,346 4.474,347 0.86,348 10.873,349 2.72,350 4.077,351 2.953,352 6.077,353 3.657,354 2.699,355 3.678,356 0.8,357 8.826,358 2.584,359 3.916,360 2.9,361 5.738,362 3.575,363 2.665,364 3.31,365 0.4,366 7.961,367 2.411,368 3.661,369 2.569,370 5.494,371 3.253,372 2.323,373 3.034,375 7.124,376 2.156,377 3.296,378 2.427,379 4.944,380 2.896,381 1.952,382 2.555,384 5.685,385 1.834,386 2.878,387 2.154,388 4.488,389 2.485,390 1.561,391 1.978,393 4.444,394 1.44,395 2.729,396 1.677,397 4.34,398 2.28,399 1.326,400 1.813,402 3.776,403 1.262,404 2.661,405 1.448,406 3.802,407 2.178,408 1.203,409 1.728,411 2.696,412 1.17,413 2.358,414 1.277,415 3.774,416 1.938,417 1,418 1.305,420 2.47,421 0.924,422 2,423 1.023,424 3.492,425 1.895,426 0.962,427 1,428 2.372,429 0.896,430 1.584,431 0.936,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.357,439 0.381,440 2.874,441 0.978,442 0.04,443 0.05,445 0.105,446 0.037,447 1.264,448 0.253,449 2.686,450 0.946,456 1,457 0.174,458 2.538,459 0.449,460 -0.48,461 -0.608,463 -1.2,464 -0.443,465 12.733,466 0.472,467 0.809,468 0.03,469 37.5,470 1.389,471 18.5,472 0.685,473 19,474 0.704,475 20.81,476 0.771,477 29.867,478 0.635,479 28.1,480 1.041,481 7.153,482 0.265,483 5.795,484 0.215,485 0.131,486 0.065,487 0.298,493 0.665,494 1.556,495 0.796,496 1.322,497 0.648,498 1.009,499 0.944,500 1.046,501 1.068,502 1.045,503 0.614,504 0.843,505 1.326,506 1.298,507 1.153,508 1.124,509 1.366,510 1.04,511 1.005,512 0.847,513 0.884,514 0.78,515 1.199,516 1.011,517 0.778,518 1.075,519 0.714,520 0.804,521 0.481,522 0.846,523 0.805,524 1.077,525 0.884,526 0.838,527 0.464,528 1,529 0.847,530 1.097,531 0.867,532 0.983,533 0.583,534 1.043,535 0.545,536 0.929,537 0.951,538 1.063,539 0.649,540 1.131,541 7,542 0.091,543 3.333,544 1.757,545 1.56,546 1.087,547 0.728,548 0.494,549 0.443,550 0.268,551 8421,552 26128,553 2.088,554 42.6,556 18,558 1,559 1,564 1.706,565 1.94,566 3.292,567 -0.199,568 1,569 1,573 84.876,574 1.806,575 3.833,576 4.714,577 4.884,578 4.884,579 4.884,580 2.732,581 4.208,582 4.724,583 3.438,584 1206.61,585 8.23,586 15199.9,588 1,590 1,591 261.066,592 1.596,593 4.673,594 0.233,595 0.007,596 0.076,597 0.041,598 0.042,599 0.029,600 0.018,601 0.013,602 0.014,603 0.011,604 0.485,605 0.33,606 1,607 0.76,608 132.235,609 0.055,610 -0.282,611 0.207,612 -0.134,613 -0.114,614 -0.029,615 0.045,616 0.099,617 -0.023,618 0.031,619 0.212,620 0.101,621 -0.262,622 -0.242,623 -0.201,624 -0.149,625 -0.203,626 -0.108,627 0.001,628 0.158,629 -0.109,630 0.01,631 -0.178,632 -0.11,633 -0.06,634 -0.057,635 0.109,636 0.064,637 -0.029,638 0.119,639 0.005,640 0.06,641 -0.116,642 0.003,643 0.126,644 -0.107,645 -0.107,646 -0.07,647 -0.017,648 -0.071,649 -0.025,650 -0.071,651 0.298,652 0.03,653 0.043,654 -0.054,655 0.082,656 -0.114,657 3.891,658 4.715,659 0.778,660 23.498,661 1.018,662 1.137,663 2.726,664 7.429,665 0.668,666 3.434,667 3.807,668 4.06,669 4.331,670 4.605,671 4.736,672 4.875,673 5.063,674 5.193,675 5.268,676 5.995,677 0.641,678 388.5,679 3.434,680 5.004,681 5.861,682 6.76,683 7.637,684 8.54,685 9.425,686 10.33,687 11.22,688 12.127,689 12.8,695 1,697 2,699 3,703 2,704 5,705 3,709 4,710 1,711 16,724 1,726 1,729 1,731 47,733 18,734 1,735 30,737 50,738 17,739 11,740 2,741 4,746 4,747 5,761 11,762 6,766 2,769 1,771 2,778 1,781 20,782 8,783 1,784 10,785 1,790 6,794 0.75,795 3,803 1,806 1,811 1,812 3,815 1,840 3,842 1,844 2,848 27,851 1,854 4,855 1,856 1,859 1,870 6.4,873 2,875 1,877 13.917,878 9.083,879 5.778,880 2.626,881 3.193,882 1.42,883 1.006,884 4.762,885 10.798,886 3.714,887 4.391,888 4.917,889 5.516,890 6.058,891 6.426,892 6.85,893 7.306,894 7.591,895 7.927,896 0.857,897 43,898 10.113,900 4.508,901 7.867,902 18.977,904 15.894,905 2.367,906 63.917,910 223.651,911 94.804,912 73.146,914 55.313,916 6.046,917 88.758,918 278.964,919 73.146,920 19.279,921 6.011,922 43.951,923 108.033,924 53.532,925 4.227,926 211.88,928 223.651,929 161.904,930 55.313,931 6.046,933 223.651,934 55.313,937 38.46,938 73.21,939 56.28,941 223.651,942 128.459,943 94.804,945 6.046,946 223.651,947 22.526,948 71.133,949 18.011,950 105.547,951 223.651,952 128.459,953 94.804,955 0.595,956 0.34,957 0.174,958 0.101,959 23,960 10,961 0.08,962 4,963 1,964 1.095,965 3.807,966 239.936,967 0.095,968 21,969 122.382,973 1,974 18.169,975 7.076,976 3.764,977 1.465,978 126.682,979 9.253,980 13.525,984 2.666,985 1.679,986 18.011,987 446.914,988 40,991 -2.974,993 23.431,999 47.854,1000 53.444,1001 0.325,1002 0.69,1003 0.849,1004 0.879,1005 0.879,1006 0.879,1007 4.977,1008 1.326,1009 5.894,1010 4.444,1011 4.489,1012 5.078,1013 3.052,1014 6.751,1015 4.329,1016 6.232,1017 1.203,1018 7.488,1019 3.776,1020 4.29,1021 5.231,1022 0.325,1023 7.901,1024 4.004,1025 7.597,1026 1,1027 9.184,1028 2.696,1029 6.184,1030 7.443,1031 5.037,1032 10.888,1033 5.848,1034 9.001,1035 0.962,1036 10.938,1037 2.47,1038 6.758,1039 8.378,1040 0.268,1041 12.796,1042 6.285,1043 10.436,1044 0.43,1045 12.729,1046 2.372,1047 8.175,1048 10.137,1049 7.186,1050 15.364,1051 7.649,1052 11.892,1053 0.04,1054 14.544,1055 0.627,1056 9.074,1057 11.395,1058 0.188,1059 17.557,1060 8.422,1061 13.364,1063 16.377,1064 0.105,1065 10.318,1066 12.997,1067 9.348,1068 19.997,1069 9.603,1070 3.239,1071 -0.48,1072 18.222,1074 11.359,1075 14.395,1076 0.125,1077 22.303,1078 10.533,1079 3.172,1080 10.983,1081 20.077,1082 -1.2,1083 12.542,1084 15.938,1085 11.511,1086 24.704,1087 11.643,1088 2.699,1089 10.873,1090 21.94,1091 4.603,1092 13.646,1093 17.398,1094 0.082,1095 27.057,1096 12.649,1097 2.665,1098 8.826,1099 23.808,1100 4.474,1101 14.808,1102 18.921,1103 13.675,1104 29.447,1105 13.735,1106 2.323,1107 7.961,1108 25.682,1109 3.678,1110 15.941,1111 20.41,1112 0.054,1113 31.82,1114 14.779,1115 1.952,1116 7.124,1117 27.56,1118 3.31,1119 17.098,1120 21.926,1121 15.838,1122 34.208,1123 15.86,1124 1.561,1125 5.685,1126 29.442,1127 3.034,1128 18.245,1129 23.428,1130 0.035,1131 36.589,1132 16.926,1133 8077,1134 14382,1135 19.879,1136 31.375,1137 45.018,1138 47.631,1139 46.701,1140 45.234,1141 45.146,1142 60.024,1143 10.02,1144 135.885,1145 41.677,1146 5.69,1147 7.127,1148 6.327,1149 5.301,1150 5.239,1151 7.603,1152 5.9,1153 18.157,1154 5.034,1155 13.605,1156 1.501,1157 1.588,1158 1.557,1159 1.508,1160 1.505,1161 2.001,1162 0.334,1163 4.53,1164 1.389,1165 4.127,1166 4.17,1167 4.734,1168 4.058,1169 7.713,1170 3.983,1171 4.018,1172 4.003,1173 4.079,1174 3.914,1175 6.999,1176 3.881,1177 3.887,1178 3.915,1179 3.831,1180 3.79,1181 5.143,1182 3.797,1183 3.455,1184 3.514,1185 3.458,1186 3.203,1187 4.868,1188 3.219,1189 3.29,1190 3.345,1191 3.205,1192 3.037,1193 4.595,1194 3.049,1195 3.205,1196 3.273,1197 3.044,1198 2.953,1199 4.404,1200 2.956,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.123,1206 2.91,1207 2.963,1208 3.059,1209 2.83,1210 2.776,1211 3.965,1212 2.765,1213 0.156,1214 0.171,1215 0.224,1216 0.139,1217 0.108,1218 4.69,1219 0.153,1220 5.127,1221 0.098,1222 6.735,1223 0.366,1224 4.158,1225 0.101,1226 3.239,1227 4.603,1228 2.95,1229 10.983,1230 3.034,1231 1.936,1232 1.935,1233 2.001,1234 2.088,1235 1.418,1236 2.104,1237 1.886,1238 1.87,1239 1.936,1240 1.996,1241 1.08,1242 2.01,1243 1.761,1244 1.735,1245 1.802,1246 1.908,1247 0.95,1248 1.901,1249 1.437,1250 1.345,1251 1.658,1252 1.736,1253 0.825,1254 1.713,1255 1.2,1256 1.157,1257 1.569,1258 1.514,1259 0.69,1260 1.532,1261 1.179,1262 1.126,1263 1.513,1264 1.403,1265 0.574,1266 1.429,1267 1.153,1268 1.064,1269 1.213,1270 1.376,1271 0.547,1272 1.422,1273 0.956,1274 0.887,1275 1.18,1276 1.199,1277 0.228,1278 1.201,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.727,1285 8.64,1286 6.823,1287 10.311,1289 3.431,1295 0.978,1296 3.301,1297 5.268,1300 1.893,1305 30.148,1306 84.876,1307 180.153,1308 221.556,1309 229.556,1310 229.556,1311 229.556,1312 46.753,1313 7.606,1314 102.24,1315 110.62,1316 23,1317 12.648,1318 4.248,1319 3.459,1320 39.985,1321 95,1322 102,1323 0.205,1324 187.66,1325 312.92,1326 449.651,1327 19820,1329 19.018,1330 0.704,1331 0.589,1332 19.268,1333 15.901,1334 12.949,1335 0.432,1336 0.344,1337 8.484,1338 11.433,1339 8.105,1340 6.682,1341 13.802,1342 10.334,1343 12.418,1344 0.282,1345 0.197,1346 13.75,1347 8.677,1348 10.177,1349 0.179,1350 0.108,1351 10.999,1352 6.149,1353 8.272,1354 0.11,1355 0.056,1356 8.91,1357 4.199,1358 6.992,1359 0.071,1360 0.033,1361 7.756,1362 3.267,1363 0.314,1364 91.256,1365 0.224,1366 25.557,1367 0.582,1368 148,1369 482.625,1370 200.494,1371 478.658,1372 651.34,1373 444,1374 175,1375 464.094,1376 234.506,1377 494.843,1378 717.14,1379 461,1380 7.125}
{0 CHEMBL1234878,1 1.788,2 9.63,3 1.232,4 1.519,5 103.337,6 8.38,7 0.667,8 3.964,9 4.082,10 3.776,11 3.508,12 5.061,13 3.479,14 4.505,15 4.672,16 4.027,17 3.88,18 5.776,19 3.854,20 4.698,21 4.896,22 3.975,23 3.939,24 5.845,25 3.895,26 4.699,27 4.924,28 3.952,29 3.902,30 5.783,31 3.849,32 4.639,33 4.866,34 3.874,35 3.843,36 5.746,37 3.781,38 4.6,39 4.822,40 3.882,41 3.858,42 5.622,43 3.804,44 4.622,45 4.828,46 3.964,47 3.92,48 5.727,49 3.836,50 4.7,51 4.933,52 3.901,53 3.884,54 5.751,55 3.773,56 0.152,57 0.801,58 10.608,59 4.261,60 17.13,61 4.85,62 0.403,63 1.231,64 21.693,65 7.081,66 55.261,67 8.527,68 0.524,69 1.344,70 24.622,71 7.786,72 71.012,73 9.881,74 0.533,75 1.363,76 25.396,77 7.474,78 54.909,79 10.216,80 0.556,81 1.262,82 23.041,83 7.173,84 56.781,85 9.853,86 0.436,87 1.258,88 21.193,89 6.199,90 40.271,91 8.681,92 0.432,93 1.299,94 20.731,95 7.752,96 36.957,97 10.265,98 0.444,99 1.293,100 26.963,101 8.252,102 41.167,103 11.241,104 22,105 44,106 0.301,107 0.67,108 0.835,109 0.86,110 0.867,111 0.867,112 3.341,113 1.052,114 -3.75,115 -3.72,116 -3.53,119 37,121 1,124 2,125 2,142 3,143 3,145 2,147 1,149 1,152 1,161 1,166 1,168 1,172 4,174 3,175 7,178 1,180 4,183 4,186 1,187 8,192 2,195 2,198 2,199 6,202 3,204 2,207 2,211 2,212 5,215 4,217 2,220 2,224 6,229 1,232 2,236 3,237 5,240 2,241 1,242 2,245 3,249 1,250 1,253 1,258 1,262 6,263 3,268 1,271 1,275 1112,276 17.947,277 17.947,278 17.947,279 17.947,280 17.947,281 15.302,282 13.638,283 10.388,284 18.508,285 14.836,286 14.836,287 14.836,288 14.836,289 14.836,290 10.732,291 17.727,292 4.921,293 15.783,294 3.736,295 1.552,296 0.571,297 0.424,298 0.381,299 0.381,300 4.034,304 1,305 1,306 564,307 3.742,310 110.159,311 130.57,314 200.522,318 1.569,319 31.086,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 59.5,331 260,332 4.675,333 5.046,334 6.774,335 4.197,336 3.235,337 4.642,338 2.95,339 11.142,340 3.12,341 4.622,342 3.264,343 6.618,344 4.02,345 3.098,346 4.453,347 0.4,348 10.547,349 2.96,350 4.509,351 3.06,352 6.394,353 3.952,354 3.044,355 4.423,357 9.951,358 2.61,359 3.839,360 2.521,361 5.751,362 3.384,363 2.437,364 3.355,366 7.747,367 2.311,368 3.657,369 2.377,370 5.623,371 3.242,372 2.3,373 3.072,375 7.275,376 2.158,377 3.055,378 2.226,379 4.661,380 2.539,381 1.573,382 2.332,384 4.627,385 1.53,386 3.038,387 1.652,388 4.415,389 2.53,390 1.551,391 2.307,393 3.986,394 1.504,395 2.78,396 1.553,397 4.072,398 2.491,399 1.534,400 1.871,402 3.594,403 1.462,404 2.598,405 1.536,406 3.841,407 2.226,408 1.276,409 1.616,411 3.125,412 1.209,413 2.5,414 1.28,415 3.59,416 1.97,417 1.003,418 1.5,420 2.513,421 0.968,422 2.35,423 1,424 3.403,425 1.944,426 1,427 1.309,428 2.23,429 0.941,430 1.95,431 0.996,432 3.154,433 1.442,434 0.48,435 0.692,436 1.22,437 0.46,438 1.565,439 0.475,440 3.069,441 1.311,442 0.386,443 0.44,445 0.904,446 0.354,447 1.093,448 0.354,449 2.687,450 0.679,451 -0.255,452 -0.322,454 -0.652,455 -0.236,456 1,457 -0.024,458 2.566,459 0.464,460 -0.477,461 -0.592,463 -1.274,464 -0.441,465 12.8,466 0.474,467 0.836,468 0.031,469 37.75,470 1.398,471 19.5,472 0.722,473 18.25,474 0.676,475 20.793,476 0.77,477 29.2,478 0.635,479 27.802,480 1.03,481 7.116,482 0.264,483 5.806,484 0.215,485 0.13,486 0.065,487 0.305,493 0.582,494 1.339,495 0.801,496 1.211,497 0.653,498 0.942,499 0.809,500 1.173,501 1.106,502 1.155,503 0.569,504 0.89,505 1.346,506 1.152,507 0.988,508 0.926,509 1.411,510 0.965,511 0.953,512 1.04,513 0.931,514 0.938,515 0.851,516 0.97,517 0.86,518 0.965,519 0.855,520 0.842,521 0.794,522 0.955,523 1.093,524 1.001,525 0.886,526 0.776,527 0.742,528 0.908,529 0.626,530 1.043,531 0.864,532 1.012,533 0.493,534 1.12,535 0.847,536 1.084,537 1.017,538 1.17,539 0.742,540 1.162,541 6,542 0.123,543 3.333,544 1.757,545 1.248,546 0.868,547 0.657,548 0.515,549 0.358,550 0.291,551 8528,552 26846,553 2.088,554 41.3,556 13,558 2,559 2,562 2,564 1.705,565 1.94,566 3.214,567 0.377,568 1,569 1,573 82.235,574 1.788,575 3.972,576 4.953,577 5.099,578 5.143,579 5.143,580 2.685,581 4.282,582 4.723,583 3.458,584 1213.65,585 8.223,586 15452,588 1,591 254.084,592 1.596,593 4.673,594 0.2,595 0.008,596 0.076,597 0.043,598 0.032,599 0.024,600 0.018,601 0.014,602 0.012,603 0.014,604 0.441,605 0.33,606 1,607 1.465,608 132.671,609 0.112,610 -0.079,611 0.198,612 -0.048,613 -0.123,614 0.015,615 0.084,616 -0.035,617 -0.075,618 -0.066,619 0.251,620 0.066,621 -0.264,622 -0.153,623 -0.128,624 -0.011,625 -0.224,626 -0.026,627 -0.058,628 -0.024,629 -0.062,630 -0.05,631 -0.098,632 -0.03,633 0.039,634 0.032,635 -0.028,636 0.019,637 -0.019,638 -0.013,639 -0.258,640 0.043,641 -0.081,642 0.076,643 -0.135,644 0.016,645 0.124,646 0.003,647 -0.025,648 -0.079,649 0.083,650 -0.154,651 -0.023,652 -0.109,653 -0.024,654 -0.169,655 -0.009,656 -0.158,657 3.902,658 4.321,659 0.667,660 24.414,661 1.016,662 1.137,663 2.522,664 6.359,665 0.678,666 3.434,667 3.807,668 4.06,669 4.369,670 4.575,671 4.727,672 4.942,673 5.106,674 5.159,675 5.242,676 6.119,677 0.651,678 385.5,679 3.434,680 5.004,681 5.861,682 6.767,683 7.646,684 8.557,685 9.447,686 10.359,687 11.258,688 12.171,689 15.2,694 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,724 1,731 46,733 22,734 1,735 30,737 49,738 17,739 12,740 3,741 3,746 4,747 6,758 1,761 12,762 5,766 2,769 1,771 2,777 1,778 1,781 19,782 7,783 2,784 10,785 1,790 7,794 0.5,795 2,803 2,806 1,811 2,812 2,815 2,840 2,842 1,844 2,848 27,851 1,854 3,855 1,870 4.3,873 2,877 13.917,878 8.917,879 5.708,880 2.597,881 4.113,882 1.536,883 1.025,884 4.581,885 11.786,886 3.761,887 4.483,888 5.078,889 5.759,890 6.295,891 6.753,892 7.292,893 7.798,894 8.106,895 8.543,896 1,897 41,898 10.077,900 4.478,901 7.873,902 18.903,904 15.828,905 2.373,906 64.083,910 200.109,911 90.543,912 103.347,914 44.313,916 6.046,917 84.497,918 244.422,919 103.347,920 15.587,921 5.54,922 34.475,923 154.478,924 47.194,925 4.472,926 176.567,928 200.109,929 187.844,930 44.313,931 6.046,933 178.894,934 67.855,937 43.79,938 56.819,939 90.954,941 200.109,942 147.66,943 90.543,945 6.046,946 200.109,947 22.387,948 63.887,949 34.674,950 111.21,951 200.109,952 147.66,953 90.543,955 0.594,956 0.327,957 0.179,958 0.093,959 23,960 10,961 0.122,962 6,963 2,964 1.222,965 3.829,966 238.774,967 0.222,968 18,969 126.382,973 1,974 17.897,975 6.911,976 3.66,977 3.331,978 129.221,979 9.268,980 17.72,981 2.948,984 2.06,985 1.692,986 34.674,987 438.312,988 42,991 -2.986,993 22.642,999 46.745,1000 52.318,1001 0.324,1002 0.719,1003 0.897,1004 0.923,1005 0.931,1006 0.931,1007 5.011,1008 1.534,1009 5.894,1010 3.986,1011 4.489,1012 5.17,1013 2.93,1014 6.763,1015 4.371,1016 6.285,1017 1.276,1018 7.492,1019 3.594,1020 4.29,1021 5.338,1023 7.921,1024 4.063,1025 7.657,1026 1.003,1027 9.195,1028 3.125,1029 6.184,1030 7.6,1031 5.027,1032 10.939,1033 5.939,1034 9.072,1035 1,1036 10.96,1037 2.513,1038 6.781,1039 8.567,1041 12.854,1042 6.435,1043 10.52,1044 0.48,1045 12.763,1046 2.23,1047 8.193,1048 10.351,1049 7.185,1050 15.443,1051 7.823,1052 11.988,1053 0.386,1054 14.588,1055 1.22,1056 9.113,1057 11.637,1059 17.631,1060 8.664,1061 13.472,1062 -0.255,1063 16.43,1064 0.904,1065 10.354,1066 13.251,1067 9.348,1068 20.084,1069 9.873,1070 3.235,1071 -0.477,1072 18.283,1073 -0.652,1074 11.407,1075 14.668,1077 22.381,1078 10.865,1079 3.098,1080 11.142,1081 20.144,1082 -1.274,1083 12.586,1084 16.218,1085 11.511,1086 24.786,1087 12.008,1088 3.044,1089 10.547,1090 22.011,1091 4.642,1092 13.693,1093 17.689,1095 27.13,1096 13.067,1097 2.437,1098 9.951,1099 23.883,1100 4.453,1101 14.851,1102 19.216,1103 13.675,1104 29.52,1105 14.188,1106 2.3,1107 7.747,1108 25.759,1109 4.423,1110 15.982,1111 20.71,1113 31.885,1114 15.277,1115 1.573,1116 7.275,1117 27.638,1118 3.355,1119 17.133,1120 22.228,1121 15.838,1122 34.271,1123 16.393,1124 1.551,1125 4.627,1126 29.52,1127 3.072,1128 18.275,1129 23.733,1131 36.647,1132 17.497,1133 8207,1134 14685,1135 19.879,1136 31.165,1137 45.876,1138 48.052,1139 46.464,1140 45.973,1141 45.835,1142 64.023,1143 6.7,1144 137.724,1145 43.178,1146 5.572,1147 7.046,1148 6.411,1149 5.276,1150 5.235,1151 7.642,1152 5.9,1153 18.385,1154 5.12,1155 13.718,1156 1.529,1157 1.602,1158 1.549,1159 1.532,1160 1.528,1161 2.134,1162 0.223,1163 4.591,1164 1.439,1165 4.157,1166 4.202,1167 4.721,1168 4.042,1169 7.715,1170 4.051,1171 4.021,1172 4.07,1173 4.13,1174 3.997,1175 6.999,1176 3.891,1177 3.988,1178 3.951,1179 3.987,1180 3.856,1181 5.171,1182 3.843,1183 3.518,1184 3.592,1185 3.424,1186 3.309,1187 5.05,1188 3.298,1189 3.395,1190 3.467,1191 3.317,1192 3.186,1193 4.592,1194 3.209,1195 3.265,1196 3.34,1197 3.157,1198 3.074,1199 4.357,1200 3.084,1201 3.065,1202 3.134,1203 2.94,1204 2.914,1205 4.191,1206 2.908,1207 2.894,1208 3.012,1209 2.664,1210 2.639,1211 3.876,1212 2.631,1213 0.156,1214 0.168,1215 0.226,1216 0.14,1217 0.108,1218 4.675,1219 0.155,1220 5.046,1221 0.098,1222 6.774,1223 0.371,1224 4.197,1225 0.104,1226 3.235,1227 4.642,1228 2.95,1229 11.142,1230 3.12,1231 1.976,1232 1.952,1233 2.039,1234 2.085,1235 1.331,1236 2.072,1237 1.849,1238 1.87,1239 1.916,1240 1.961,1241 1.183,1242 2.021,1243 1.76,1244 1.732,1245 1.798,1246 1.901,1247 0.979,1248 1.899,1249 1.464,1250 1.385,1251 1.663,1252 1.759,1253 0.867,1254 1.747,1255 1.38,1256 1.308,1257 1.577,1258 1.641,1259 0.684,1260 1.632,1261 1.312,1262 1.237,1263 1.454,1264 1.582,1265 0.447,1266 1.574,1267 1.03,1268 0.979,1269 1.268,1270 1.213,1271 0.419,1272 1.233,1273 0.959,1274 0.878,1275 1.225,1276 1.191,1277 0.301,1278 1.215,1279 4.111,1281 5.468,1282 3.045,1283 7.002,1284 5.352,1285 8.624,1286 7.413,1287 10.298,1289 3.061,1295 1.114,1296 3.233,1305 29.927,1306 82.235,1307 182.7,1308 227.819,1309 234.574,1310 236.574,1311 236.574,1312 46.497,1313 7.673,1314 118.45,1315 126.83,1316 22,1317 12.687,1318 4.524,1319 3.7,1320 40.048,1321 98,1322 100,1323 0.201,1324 187.531,1325 301.59,1326 449.336,1327 21945,1329 19.018,1330 0.704,1331 0.585,1332 19.268,1333 15.785,1334 12.922,1335 0.431,1336 0.351,1337 8.488,1338 11.531,1339 8.072,1340 6.698,1341 13.848,1342 10.521,1343 12.63,1344 0.287,1345 0.198,1346 14.035,1347 8.708,1348 9.759,1349 0.171,1350 0.094,1351 10.223,1352 5.332,1353 8.453,1354 0.108,1355 0.047,1356 8.781,1357 3.65,1358 6.652,1359 0.069,1360 0.023,1361 6.875,1362 2.207,1363 0.31,1364 91.136,1365 0.224,1366 25.652,1367 0.567,1368 148,1369 465.223,1370 194.525,1371 471.782,1372 644.33,1373 436,1374 175,1375 465.924,1376 227.703,1377 498.128,1378 718.26,1379 464,1380 8.854}
{0 CHEMBL1236107,1 1.623,2 10.731,3 3.403,4 11.578,5 103.098,6 9.217,7 0.867,8 3.829,9 3.94,10 3.642,11 3.455,12 5.026,13 3.437,14 4.294,15 4.44,16 4.046,17 3.831,18 5.445,19 3.809,20 4.428,21 4.597,22 4.039,23 3.91,24 5.552,25 3.836,26 4.391,27 4.585,28 3.875,29 3.811,30 5.447,31 3.719,32 4.291,33 4.491,34 3.827,35 3.7,36 5.335,37 3.618,38 4.228,39 4.422,40 3.757,41 3.628,42 5.318,43 3.567,44 4.165,45 4.358,46 3.696,47 3.532,48 5.303,49 3.485,50 4.023,51 4.213,52 3.466,53 3.445,54 5.121,55 3.387,56 0.097,57 0.691,58 5.169,59 3.012,60 6.507,61 3.276,62 0.186,63 1.1,64 11.121,65 4.777,66 10.517,67 5.044,68 0.242,69 1.226,70 16.502,71 6.462,72 20.241,73 6.669,74 0.225,75 1.132,76 15.46,77 6.453,78 19.77,79 7.127,80 0.239,81 1.046,82 16.434,83 5.982,84 16.004,85 6.385,86 0.197,87 0.988,88 14.325,89 5.214,90 17.168,91 5.218,92 0.321,93 0.968,94 14.677,95 4.658,96 19.123,97 4.673,98 0.143,99 0.762,100 8.904,101 4.082,102 13.225,103 4.966,104 2,105 43,106 0.28,107 0.629,108 0.794,109 0.889,110 0.889,111 0.889,112 3.305,113 0.882,114 -4.86,115 -4.77,116 -4.48,119 46.2,124 1,142 7,143 2,144 1,145 2,146 2,151 1,161 1,162 1,166 3,172 5,174 2,175 11,183 7,186 2,187 10,195 7,198 2,199 7,207 4,211 2,212 13,220 4,224 6,232 2,236 6,237 6,245 6,249 2,250 2,258 5,263 5,271 3,275 988,276 18.049,277 18.049,278 18.049,279 18.049,280 18.049,281 15.07,282 6.656,283 10.553,284 18.546,285 14.857,286 14.857,287 14.857,288 14.857,289 14.857,290 10.401,291 4.873,292 5.066,293 15.729,294 3.662,295 1.631,296 0.677,297 0.122,298 0.122,299 0.122,300 4.022,303 1,304 1,305 1,306 634,307 2.345,310 115.387,311 187.508,314 94.739,315 107.005,318 1.675,319 13.861,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55.5,331 279,332 4.578,333 4.573,334 6.574,335 4.062,336 3.134,337 4.523,338 2.95,339 10.474,340 2.934,341 4.403,342 3.285,343 6.185,344 3.897,345 2.922,346 4.334,348 9.236,349 2.85,350 4.205,351 2.928,352 6.129,353 3.768,354 2.813,355 3.852,357 9.027,358 2.664,359 3.695,360 2.788,361 5.386,362 3.234,363 2.328,364 3.121,366 6.992,367 2.1,368 3.56,369 2.518,370 5.053,371 3.113,372 2.17,373 2.971,375 6.072,376 2.027,377 3.271,378 2.209,379 4.952,380 2.752,381 1.824,382 2.61,384 5.519,385 1.682,386 3.118,387 1.618,388 4.413,389 2.603,390 1.618,391 2.427,393 4.36,394 1.592,395 2.894,396 1.471,397 4.245,398 2.372,399 1.406,400 2.084,402 3.804,403 1.355,404 2.821,405 1.414,406 4.017,407 2.329,408 1.365,409 1.962,411 3.15,412 1.312,413 2.613,414 1.31,415 3.616,416 2.107,417 1.15,418 1.664,420 2.982,421 1.093,422 2.223,423 0.964,424 3.286,425 1.707,426 0.761,427 1.098,428 1.789,429 0.714,430 2.183,431 0.833,432 3.261,433 1.646,434 0.694,435 1.029,436 1.65,437 0.659,438 2.088,439 0.684,440 3.17,441 1.561,442 0.612,443 0.897,445 1.499,446 0.577,447 1.317,448 0.467,449 2.88,450 0.859,451 -0.029,452 -0.038,454 -0.079,455 -0.025,456 0.929,457 0.121,458 2.543,459 0.474,460 -0.485,461 -0.649,463 -1.219,464 -0.456,465 12.633,466 0.486,467 0.585,468 0.022,469 40,470 1.538,471 22.5,472 0.865,473 17.5,474 0.673,475 16.575,476 0.637,477 25.167,478 0.645,479 26.762,480 1.029,481 7.858,482 0.302,483 4.901,484 0.189,485 0.04,487 0.34,493 0.615,494 1.039,495 0.629,496 0.838,497 0.702,498 0.783,499 0.988,500 1.141,501 0.745,502 0.881,503 0.818,504 0.768,505 1.042,506 1.082,507 1.18,508 1.142,509 1.017,510 1.009,511 1,512 1.017,513 1.064,514 1.032,515 1.052,516 1.045,517 1.069,518 1.017,519 1.152,520 1.053,521 0.899,522 0.919,523 1.42,524 1.177,525 1.184,526 1.028,527 1.244,528 0.92,529 1.116,530 0.875,531 1.305,532 1.113,533 1.117,534 0.948,535 0.776,536 0.967,537 0.732,538 0.886,539 0.759,540 1.003,541 5,542 0.094,543 2.889,544 1.389,545 1.254,546 0.688,547 0.414,548 0.367,549 0.172,550 0.136,551 8952,552 24672,553 2.241,554 33.3,556 10,557 1,558 2,564 1.689,565 2.167,566 3.413,567 -0.684,569 1,573 63.315,574 1.623,575 3.654,576 4.608,577 5.163,578 5.163,579 5.163,580 2.902,581 4.393,582 4.673,583 3.537,584 1149.49,585 8.088,586 14195.1,587 1,588 1,590 1,591 206.131,592 1.142,593 4.66,594 0.167,595 0.006,596 0.067,597 0.035,598 0.037,599 0.021,600 0.013,601 0.013,602 0.007,603 0.007,604 0.373,605 0.33,606 0.88,607 0.362,608 127.048,609 0.244,610 0.012,611 0.08,612 -0.004,613 0.019,614 -0.014,615 0.005,616 -0.084,617 0.117,618 0.023,619 0.016,620 0.058,621 -0.074,622 -0.048,623 -0.074,624 -0.076,625 -0.036,626 -0.083,627 -0.051,628 -0.037,629 -0.027,630 -0.01,631 -0.09,632 -0.067,633 -0.032,634 -0.003,635 0.028,636 0.046,637 0.026,638 0.072,639 -0.303,640 -0.134,641 -0.084,642 0.003,643 -0.159,644 0.012,645 0.134,646 0.223,647 -0.18,648 -0.089,649 0.012,650 -0.055,651 0.092,652 -0.033,653 0.022,654 -0.036,655 0.198,656 -0.055,657 0.956,658 1.682,659 0.923,660 22.385,661 1.011,662 1.119,663 3.63,664 13.178,665 0.743,666 3.434,667 3.784,668 4.094,669 4.394,670 4.615,671 4.71,672 4.89,673 5.081,674 5.198,675 5.252,676 6.261,677 0.716,678 359.45,679 3.434,680 4.99,681 5.861,682 6.751,683 7.635,684 8.528,685 9.416,686 10.311,687 11.202,688 12.097,689 17.9,697 2,699 5,703 3,704 10,705 5,709 4,710 1,711 26,731 39,733 26,734 1,735 30,737 43,738 18,739 17,740 3,741 3,746 5,747 7,761 17,762 1,777 1,778 1,781 13,782 5,784 8,785 1,790 7,794 0.6,803 1,804 1,805 1,811 2,812 3,815 1,816 1,840 3,841 1,842 1,844 1,848 26,857 1,867 1,877 12,878 7.65,879 5.528,880 2.223,881 5.042,882 1.628,883 1.066,884 3.61,885 13.074,886 3.784,887 4.489,888 5.169,889 5.831,890 6.377,891 6.764,892 7.269,893 7.785,894 8.185,895 8.5,896 1,897 40,898 9.512,900 4.091,901 7.596,902 18.24,904 15.124,905 2.096,906 54.5,910 153.024,911 148.71,912 86.378,916 32.22,917 116.491,918 153.024,919 86.378,920 8.396,922 75.381,923 108.695,924 33.939,925 11.771,926 149.931,928 153.024,929 202.869,931 32.22,933 153.024,937 28.345,938 91.087,939 83.438,940 32.22,941 153.024,942 86.378,943 148.71,946 153.024,947 46.838,948 104.813,950 83.438,951 153.024,952 86.378,953 148.71,955 0.588,956 0.346,957 0.192,958 0.103,959 24,960 9,961 0.07,962 3,963 2,964 1.167,965 3.943,966 230.999,967 0.167,968 24,969 122.211,970 1,974 15.354,975 6.114,976 2.841,977 2.776,978 83.438,979 19.487,980 21.742,984 3.563,985 1.756,987 388.113,988 43,999 39.44,1000 43.654,1001 0.307,1002 0.691,1003 0.872,1004 0.977,1005 0.977,1006 0.977,1007 5.007,1008 1.406,1009 5.844,1010 4.36,1011 4.466,1012 5.176,1013 2.913,1014 6.661,1015 4.357,1016 6.246,1017 1.365,1018 7.399,1019 3.804,1020 4.007,1021 5.007,1023 7.526,1024 3.828,1025 7.569,1026 1.15,1027 9.051,1028 3.15,1029 6.066,1030 7.503,1031 5.027,1032 10.631,1033 5.852,1034 8.931,1035 0.761,1036 10.76,1037 2.982,1038 6.447,1039 8.204,1041 12.335,1042 6.163,1043 10.325,1044 0.694,1045 12.506,1046 1.789,1047 7.946,1048 10.116,1049 7.185,1050 14.928,1051 7.63,1052 11.741,1053 0.612,1054 14.278,1055 1.65,1056 8.715,1057 11.23,1059 16.978,1060 8.334,1061 13.175,1062 -0.029,1063 16.068,1064 1.499,1065 9.983,1066 12.897,1067 9.348,1068 19.391,1069 9.567,1070 3.134,1071 -0.485,1072 17.872,1073 -0.079,1074 10.935,1075 14.21,1077 21.589,1078 10.457,1079 2.922,1080 10.474,1081 19.686,1082 -1.219,1083 12.108,1084 15.772,1085 11.511,1086 23.938,1087 11.588,1088 2.813,1089 9.236,1090 21.509,1091 4.523,1092 13.145,1093 17.177,1095 26.203,1096 12.565,1097 2.328,1098 9.027,1099 23.339,1100 4.334,1101 14.28,1102 18.695,1103 13.675,1104 28.531,1105 13.652,1106 2.17,1107 6.992,1108 25.174,1109 3.852,1110 15.358,1111 20.145,1113 30.827,1114 14.671,1115 1.824,1116 6.072,1117 27.013,1118 3.121,1119 16.479,1120 21.646,1121 15.838,1122 33.151,1123 15.74,1124 1.618,1125 5.519,1126 28.856,1127 2.971,1128 17.577,1129 23.117,1131 35.464,1132 16.779,1133 8108,1134 13651,1135 20.978,1136 28.972,1137 46.04,1138 48.245,1139 46.067,1140 45.693,1141 45.596,1142 65.145,1143 5.9,1144 133.108,1145 43.118,1146 5.351,1147 6.573,1148 6.262,1149 5.224,1150 5.134,1151 7.523,1152 5.9,1153 17.234,1154 4.934,1155 6.8,1156 1.535,1157 1.608,1158 1.536,1159 1.523,1160 1.52,1161 2.172,1162 0.197,1163 4.437,1164 1.437,1165 4.118,1166 4.169,1167 4.196,1168 4.02,1169 5.211,1170 4.015,1171 4.029,1172 4.063,1173 4,1174 3.894,1175 4.988,1176 3.92,1177 3.863,1178 3.934,1179 3.851,1180 3.65,1181 4.941,1182 3.678,1183 3.454,1184 3.49,1185 3.584,1186 3.402,1187 4.449,1188 3.371,1189 3.268,1190 3.333,1191 3.218,1192 3.119,1193 4.346,1194 3.113,1195 3.032,1196 3.114,1197 3.007,1198 2.894,1199 3.96,1200 2.876,1201 2.979,1202 3.043,1203 2.85,1204 2.822,1205 3.908,1206 2.812,1207 2.742,1208 2.825,1209 2.736,1210 2.633,1211 3.743,1212 2.6,1213 0.153,1214 0.152,1215 0.219,1216 0.135,1217 0.104,1218 4.578,1219 0.151,1220 4.573,1221 0.098,1222 6.574,1223 0.349,1224 4.062,1225 0.098,1226 3.134,1227 4.523,1228 2.95,1229 10.474,1230 2.934,1231 2.027,1232 2.006,1233 2.094,1234 2.104,1235 1.213,1236 2.107,1237 1.863,1238 1.823,1239 1.926,1240 2.038,1241 1.02,1242 2.006,1243 1.502,1244 1.446,1245 1.724,1246 1.802,1247 0.777,1248 1.778,1249 1.461,1250 1.412,1251 1.599,1252 1.568,1253 0.671,1254 1.593,1255 1.347,1256 1.286,1257 1.482,1258 1.508,1259 0.568,1260 1.502,1261 1.169,1262 1.121,1263 1.196,1264 1.422,1265 0.305,1266 1.375,1267 0.962,1268 0.904,1269 1.125,1270 1.141,1271 0.204,1272 1.158,1273 0.772,1274 0.695,1275 1.076,1276 1.06,1277 0.049,1278 1.081,1279 4.111,1281 5.451,1282 3.045,1283 6.98,1284 5.352,1285 8.594,1286 7.391,1287 10.254,1289 1.886,1298 1.526,1305 27.917,1306 63.315,1307 142.505,1308 179.724,1309 201.376,1310 201.376,1311 201.376,1312 26.188,1313 8.031,1314 73.79,1315 99.09,1316 28,1317 12.623,1318 4.755,1319 3.807,1320 33.97,1321 97,1322 93,1323 0.169,1324 172.955,1325 270.13,1326 413.771,1327 36896,1329 17.51,1330 0.673,1331 0.563,1332 17.863,1333 14.629,1334 12.759,1335 0.425,1336 0.294,1337 7.949,1338 11.793,1339 7.697,1340 6.39,1341 13.167,1342 8.82,1343 11.732,1344 0.273,1345 0.16,1346 12.401,1347 6.874,1348 10.289,1349 0.174,1350 0.084,1351 11.046,1352 4.945,1353 8.893,1354 0.111,1355 0.045,1356 9.73,1357 3.598,1358 7.233,1359 0.072,1360 0.025,1361 8.181,1362 2.526,1363 0.266,1364 84.097,1365 0.218,1366 25.09,1367 0.465,1368 146,1369 422.376,1370 186.279,1371 439.426,1372 624.83,1373 414,1374 175,1375 478.65,1376 213.339,1377 498.75,1378 729.05,1379 469,1380 5}
{0 CHEMBL1240544,1 1.766,2 7.773,3 1.645,4 2.707,5 86.264,6 8.616,7 0.667,8 3.748,9 3.88,10 3.417,11 3.244,12 4.982,13 3.251,14 4.218,15 4.388,16 3.822,17 3.637,18 5.395,19 3.627,20 4.456,21 4.648,22 3.974,23 3.76,24 5.687,25 3.742,26 4.537,27 4.757,28 3.851,29 3.764,30 5.732,31 3.722,32 4.486,33 4.712,34 3.723,35 3.715,36 5.605,37 3.661,38 4.407,39 4.601,40 3.74,41 3.674,42 5.603,43 3.618,44 4.491,45 4.74,46 3.599,47 3.584,48 5.725,49 3.464,50 4.348,51 4.649,52 3.301,53 3.257,54 5.444,55 3.088,56 0.139,57 0.601,58 6.424,59 2.733,60 16.976,61 3.436,62 0.232,63 0.906,64 12.066,65 4.705,66 24.714,67 6.226,68 0.416,69 1.051,70 18.975,71 5.751,72 40.198,73 7.691,74 0.505,75 1.111,76 21.989,77 6.08,78 49.822,79 8.318,80 0.416,81 1.059,82 17.939,83 5.661,84 41.53,85 8.042,86 0.326,87 0.984,88 15.312,89 5.365,90 31.247,91 7.414,92 0.527,93 0.889,94 20.967,95 6.262,96 65.82,97 9.002,98 0.514,99 0.596,100 23.898,101 5.831,102 65.467,103 8.554,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.885,114 -3.89,115 -3.84,116 -3.65,119 37.8,120 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 3,174 2,175 6,177 1,178 1,180 2,183 4,185 1,186 1,187 4,189 1,190 1,192 4,195 5,197 1,198 2,199 6,201 4,202 4,204 2,207 3,209 1,212 5,214 1,215 2,217 4,220 1,222 3,224 4,227 1,229 3,232 3,234 3,237 1,239 1,240 3,241 2,242 2,244 3,245 1,247 2,248 1,250 2,255 3,260 2,267 1,270 1,271 1,275 608,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.71,282 11.546,283 8.322,284 15.057,285 11.722,286 11.722,287 11.722,288 11.722,289 11.722,290 8.795,291 7.976,292 3.816,293 12.484,294 3.444,295 1.034,296 0.419,297 0.291,298 0.291,299 0.291,300 3.821,301 1,303 1,304 1,305 1,306 359,307 2.828,310 42.576,311 113.692,314 81.322,318 1.087,319 26.268,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48.333,331 171,332 4.761,333 3.387,334 7.044,335 4.304,336 3.341,337 4.732,339 12.109,340 3.219,341 4.217,342 3.176,343 6.209,344 3.772,345 2.832,346 3.88,348 9.083,349 2.66,350 3.836,351 2.73,352 5.947,353 3.519,354 2.573,355 3.225,357 8.175,358 2.424,359 3.679,360 2.453,361 5.667,362 3.255,363 2.322,364 3.085,366 7.27,367 2.12,368 3.089,369 1.92,370 4.927,371 2.764,372 1.824,373 2.253,375 5.132,376 1.711,377 2.992,378 1.87,379 4.469,380 2.444,381 1.509,382 2.188,384 4.128,385 1.406,386 2.82,387 1.531,388 4.047,389 2.346,390 1.414,391 1.948,393 3.513,394 1.279,395 2.542,396 1.144,397 4.023,398 2.045,399 1.095,400 1.559,402 2.94,403 1.036,404 2.26,405 1.056,406 3.595,407 1.868,408 0.936,409 1.196,411 2.287,412 0.861,413 1.372,414 0.599,415 2.736,416 1.104,417 0.172,418 0.181,420 0.257,421 0.158,422 1.228,423 0.392,424 2.576,425 0.924,426 0.098,427 0.118,428 0.198,429 0.07,430 1.039,431 -0.158,432 2.387,433 0.609,434 -0.302,435 -0.383,436 -0.695,437 -0.274,438 0.78,439 -0.286,440 2.373,441 0.35,442 -0.595,443 -0.77,445 -1.604,446 -0.539,447 0.609,448 -0.711,449 2.205,450 0.103,451 -0.82,452 -1.105,454 -2.254,455 -0.714,456 0.22,457 -0.867,458 2,459 -0.141,460 -1.059,461 -1.255,463 -2.822,464 -0.892,465 10.448,466 0.475,467 0.648,468 0.029,469 29.75,470 1.352,471 15,472 0.682,473 14.75,474 0.67,475 16.738,476 0.761,477 23.752,478 0.642,479 21.439,480 0.974,481 5.818,482 0.264,483 4.706,484 0.214,485 0.225,487 0.421,493 0.975,494 1.226,495 0.633,496 0.833,497 1.125,498 0.789,499 0.732,500 1.138,501 0.597,502 0.855,503 0.642,504 0.791,505 0.933,506 1.188,507 0.806,508 0.945,509 0.755,510 0.86,511 1.01,512 0.924,513 1.018,514 0.94,515 0.917,516 0.957,517 0.908,518 1.054,519 0.735,520 0.885,521 0.739,522 0.969,523 0.857,524 1.388,525 0.859,526 1.254,527 0.911,528 1.258,529 0.742,530 0.973,531 0.912,532 1.104,533 0.883,534 1.202,535 0.977,536 0.709,537 0.874,538 0.889,539 1.218,540 0.924,541 4.5,543 3.333,544 2.042,545 1.807,546 0.907,547 0.627,548 0.414,549 0.185,550 0.051,551 4133,552 14018,553 2.017,554 40.5,556 6,558 1,559 5,561 3,564 1.654,565 1.833,566 2.953,567 2.824,568 1,569 1,571 1,573 65.334,574 1.766,575 4.175,576 4.79,577 4.919,578 4.919,579 4.919,580 2.392,581 4.459,582 4.43,583 3.047,584 703.914,585 7.655,586 7464.11,587 1,588 1,590 1,591 192.75,592 1.544,593 4.36,594 0.188,596 0.095,597 0.054,598 0.052,599 0.029,600 0.022,601 0.02,602 0.015,603 0.01,604 0.484,605 0.33,606 1,607 1.094,608 98.203,609 -0.16,610 0.021,611 -0.014,612 0.107,613 -0.264,614 0.084,615 0.032,616 0.021,617 0.117,618 0.1,619 0.036,620 0.133,621 0.007,622 -0.117,623 0.079,624 0.01,625 0.092,626 0.07,627 -0.079,628 0.135,629 -0.135,630 -0.026,631 -0.074,632 -0.042,633 -0.104,635 -0.058,636 0.011,637 -0.01,638 -0.039,639 -0.051,640 -0.3,641 -0.14,642 -0.328,643 -0.087,644 -0.336,645 0.171,646 -0.038,647 -0.025,648 -0.164,649 0.115,650 -0.222,651 0.105,652 0.019,653 0.251,654 0.114,655 0.016,656 0.154,657 1.691,658 3.816,659 0.682,660 15.364,661 1.018,662 1.141,663 2.656,664 7.052,665 0.68,666 3.219,667 3.584,668 3.912,669 4.205,670 4.477,671 4.615,672 4.71,673 4.787,674 4.736,675 4.615,676 4.739,677 0.657,678 318.8,679 3.219,680 4.779,681 5.659,682 6.567,683 7.474,684 8.391,685 9.308,686 10.23,687 11.151,688 12.075,689 16.2,690 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 24,737 39,738 14,739 11,740 3,741 3,746 3,747 4,748 1,752 2,758 1,761 11,762 3,777 1,778 1,781 15,782 6,783 5,784 8,785 1,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,833 1,840 2,844 1,845 1,848 22,849 2,853 1,854 1,858 1,869 1,870 2.7,872 1,877 12,878 6.726,879 4.861,880 2.033,881 3.124,882 1.45,883 0.973,884 3.908,885 10.069,886 3.497,887 4.186,888 4.874,889 5.543,890 6.137,891 6.548,892 6.983,893 7.424,894 7.67,895 7.911,896 1,897 38,898 8.062,900 3.469,901 7.937,902 14.981,904 12.231,905 2.437,906 53.611,910 117.711,911 64.037,912 117.805,913 39.149,914 42.683,917 64.037,918 199.543,919 117.805,920 8.825,921 35.003,922 61.326,923 106.404,924 22.411,925 2.328,926 105.94,927 39.149,928 117.711,929 181.842,930 42.683,931 39.149,933 82.398,934 77.997,937 58.695,938 72.913,939 89.383,941 117.711,942 160.488,943 103.186,946 117.711,947 18.165,948 47.649,950 197.86,951 117.711,952 160.488,953 103.186,955 0.592,956 0.365,957 0.193,958 0.113,959 18,960 9,961 0.077,962 3,963 1,964 1.133,965 3.229,966 181.498,967 0.133,968 15,969 98.107,974 15.03,975 5.721,976 2.531,977 1.236,978 158.712,979 6.285,980 12.85,984 1.831,985 1.717,986 108.478,987 381.385,988 32,999 37.68,1000 42.219,1001 0.339,1002 0.801,1003 0.92,1004 0.944,1005 0.944,1006 0.944,1007 4.745,1008 1.095,1009 5.68,1010 3.513,1011 4.263,1012 4.871,1014 6.564,1015 4.145,1016 5.996,1017 0.936,1018 7.292,1019 2.94,1020 4.007,1021 4.856,1023 7.621,1024 3.819,1025 7.34,1026 0.172,1027 9.005,1028 2.287,1029 5.927,1030 7.208,1032 10.768,1033 5.719,1034 8.726,1035 0.098,1036 10.775,1037 0.257,1038 6.479,1039 8.032,1041 12.66,1042 6.211,1043 10.144,1044 -0.302,1045 12.582,1046 0.198,1047 7.909,1048 9.882,1050 15.353,1051 7.622,1052 11.588,1053 -0.595,1054 14.414,1055 -0.695,1056 8.815,1057 11.096,1059 17.594,1060 8.48,1061 13.051,1062 -0.82,1063 16.265,1064 -1.604,1065 10.074,1066 12.752,1068 20.141,1069 9.715,1070 3.341,1071 -1.059,1072 18.131,1073 -2.254,1074 11.137,1075 14.148,1077 22.53,1078 10.738,1079 2.832,1080 12.109,1081 20.009,1082 -2.822,1083 12.34,1084 15.73,1086 25.033,1087 11.913,1088 2.573,1089 9.083,1090 21.898,1091 4.732,1092 13.472,1093 17.209,1095 27.483,1096 13.01,1097 2.322,1098 8.175,1099 23.794,1100 3.88,1101 14.661,1102 18.766,1104 29.975,1105 14.168,1106 1.824,1107 7.27,1108 25.698,1109 3.225,1110 15.826,1111 20.283,1113 32.449,1114 15.299,1115 1.509,1116 5.132,1117 27.609,1118 3.085,1119 17.014,1120 21.832,1122 34.94,1123 16.455,1124 1.414,1125 4.128,1126 29.525,1127 2.253,1128 18.196,1129 23.367,1131 37.425,1132 17.603,1133 4172,1134 7793,1135 15.433,1136 25.154,1137 36.468,1138 37.202,1139 39.356,1140 36.26,1141 36.236,1142 48.731,1144 110.184,1145 33.888,1146 5.486,1147 5.387,1148 6.587,1149 5.377,1150 5.341,1151 7.732,1153 19.605,1154 5.219,1155 12.74,1156 1.519,1157 1.55,1158 1.64,1159 1.511,1160 1.51,1161 2.03,1163 4.591,1164 1.412,1165 4.133,1166 4.18,1167 4.131,1168 3.996,1169 6.471,1170 4.018,1171 3.841,1172 3.862,1173 3.947,1174 3.746,1175 5.257,1176 3.754,1177 3.608,1178 3.687,1179 3.483,1180 3.426,1181 5.012,1182 3.425,1183 3.233,1184 3.324,1185 3.352,1186 3.01,1187 4.88,1188 3.034,1189 3.052,1190 3.165,1191 3.059,1192 2.754,1193 4.804,1194 2.776,1195 2.993,1196 3.11,1197 2.873,1198 2.746,1199 4.511,1200 2.747,1201 2.93,1202 2.971,1203 2.804,1204 2.688,1205 4.216,1206 2.69,1207 2.784,1208 2.837,1209 2.734,1210 2.624,1211 3.876,1212 2.626,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.761,1219 0.197,1220 3.387,1222 7.044,1223 0.505,1224 4.304,1225 0.134,1226 3.341,1227 4.732,1229 12.109,1230 3.219,1231 1.924,1232 1.907,1233 1.979,1234 2.037,1235 1.176,1236 2.016,1237 1.795,1238 1.748,1239 1.933,1240 1.976,1241 1.11,1242 1.969,1243 1.618,1244 1.556,1245 1.762,1246 1.82,1247 0.829,1248 1.815,1249 1.154,1250 1.097,1251 1.449,1252 1.467,1253 0.475,1254 1.447,1255 1.028,1256 0.902,1257 1.252,1258 1.345,1259 0.262,1260 1.357,1261 0.883,1262 0.839,1263 1.15,1264 1.221,1265 0.139,1266 1.203,1267 0.877,1268 0.785,1269 1.108,1270 1.135,1271 0.033,1272 1.13,1273 0.766,1274 0.673,1275 1.016,1276 1.067,1278 1.065,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.445,1286 7.081,1287 10.143,1289 1.938,1290 5.854,1293 11.725,1294 9.816,1295 0.409,1299 -0.05,1305 24.305,1306 65.334,1307 154.485,1308 177.24,1309 181.995,1310 181.995,1311 181.995,1312 38.844,1313 6.945,1314 115.87,1315 115.87,1316 17,1317 12.581,1318 4.087,1319 3.17,1320 34.119,1321 61,1322 64,1323 0.284,1324 155.486,1325 252.5,1326 371.146,1327 7880,1328 2.7,1329 15.853,1330 0.721,1331 0.574,1332 16.353,1333 12.619,1334 10.524,1335 0.439,1336 0.295,1337 6.625,1338 9.805,1339 6.442,1340 5.341,1341 10.813,1342 7.08,1343 9.626,1344 0.275,1345 0.155,1346 9.997,1347 5.409,1348 8.556,1349 0.175,1350 0.078,1351 8.985,1352 3.816,1353 6.809,1354 0.103,1355 0.036,1356 6.961,1357 2.382,1358 5.709,1359 0.066,1360 0.019,1361 5.904,1362 1.675,1363 0.42,1364 69.393,1365 0.255,1366 20.956,1367 0.861,1368 118,1369 357.558,1370 145.753,1371 381.836,1372 517.19,1373 354,1374 143,1375 371.609,1376 168.842,1377 384.849,1378 567.96,1379 362,1380 6.106}
{0 CHEMBL1240545,1 1.471,2 8.773,3 2.34,4 5.475,5 86.85,6 7.694,7 0.667,8 3.741,9 3.878,10 3.34,11 3.289,12 4.942,13 3.277,14 4.235,15 4.424,16 3.696,17 3.662,18 5.317,19 3.631,20 4.438,21 4.645,22 3.775,23 3.786,24 5.543,25 3.745,26 4.545,27 4.781,28 3.775,29 3.808,30 5.67,31 3.746,32 4.469,33 4.701,34 3.598,35 3.734,36 5.55,37 3.659,38 4.343,39 4.55,40 3.48,41 3.643,42 5.47,43 3.557,44 4.434,45 4.713,46 3.132,47 3.54,48 5.401,49 3.383,50 4.251,51 4.58,52 2.827,53 3.255,54 5.056,55 3.049,56 0.046,57 0.624,58 7.17,59 2.969,60 11.538,61 4.02,62 0.134,63 0.961,64 13.307,65 5.039,66 18.808,67 7.089,68 0.16,69 1.142,70 16.911,71 5.629,72 24.499,73 8.137,74 0.285,75 1.214,76 20.04,77 6.564,78 36.203,79 9.593,80 0.209,81 1.111,82 18.361,83 5.674,84 33.67,85 8.336,86 0.119,87 0.998,88 15.228,89 5.288,90 27.564,91 7.588,92 0.239,93 0.951,94 19.415,95 5.97,96 41.116,97 8.97,98 0.157,99 0.704,100 17.893,101 6.191,102 29.69,103 9.482,104 22,105 34,106 0.261,107 0.677,108 0.774,109 0.792,110 0.792,111 0.792,112 3.148,113 0.883,114 -4.28,115 -4.22,116 -3.98,119 42.1,120 2,121 1,127 1,142 4,143 3,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 8,177 1,178 1,180 1,183 10,185 1,186 1,187 6,195 7,198 2,199 10,201 3,202 3,204 1,207 5,209 1,212 9,217 2,220 3,222 2,224 9,229 4,232 5,234 4,237 3,242 1,245 4,247 1,249 1,250 3,255 1,258 2,260 1,262 1,271 2,275 642,276 14.853,277 14.853,278 14.853,279 14.853,280 14.853,281 12.815,282 14.04,283 8.752,284 15.133,285 11.798,286 11.798,287 11.798,288 11.798,289 11.798,290 8.654,291 11.759,292 4.032,293 12.247,294 3.777,295 1.425,296 0.882,297 0.777,298 0.777,299 0.777,300 3.825,303 1,304 1,305 1,306 409,307 2.915,310 44.135,311 117,314 83.951,318 1.45,319 17.901,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47,331 193,332 4.757,333 4.055,334 7.038,335 4.298,336 3.335,337 4.73,338 2.517,339 12.08,340 3.214,341 4.076,342 3.373,343 6.147,344 3.677,345 2.696,346 3.682,348 8.817,349 2.648,350 3.804,351 2.797,352 5.766,353 3.463,354 2.502,355 3.205,357 7.643,358 2.402,359 3.681,360 2.651,361 5.312,362 3.272,363 2.296,364 3.021,366 6.81,367 2.236,368 3.374,369 2.423,370 4.819,371 2.685,372 1.743,373 2.281,375 4.818,376 1.638,377 3.029,378 1.824,379 4.463,380 2.494,381 1.548,382 2.131,384 4.166,385 1.461,386 2.975,387 1.593,388 3.862,389 2.105,390 1.155,391 1.801,393 2.776,394 1.095,395 2.526,396 1.23,397 3.494,398 2,399 1,400 1.501,402 2.275,403 1,404 2.5,405 1.014,406 3.414,407 1.96,408 1,409 1.5,411 2.115,412 0.958,413 2.128,414 1,415 3.156,416 1.759,417 0.799,418 1.028,420 1.756,421 0.765,422 1.423,423 0.832,424 2.581,425 0.839,426 -0.128,427 -0.181,428 -0.24,429 -0.124,430 1.059,431 -0.105,432 2.414,433 0.608,434 -0.306,435 -0.403,436 -0.696,437 -0.28,438 0.773,439 -0.245,440 2.251,441 0.239,442 -0.717,443 -1,445 -1.48,446 -0.682,447 0.571,448 -0.763,449 2,450 0.053,451 -0.887,452 -1.048,454 -2,455 -0.834,456 0.5,457 -0.966,458 2,460 -1,461 -1.198,463 -2.316,464 -1,465 10.4,466 0.473,467 0.559,468 0.025,469 31.75,470 1.443,471 17.5,472 0.795,473 14.25,474 0.648,475 15.63,476 0.71,477 22.6,478 0.595,479 21.354,480 0.971,481 6.052,482 0.275,483 4.561,484 0.207,485 0.173,487 0.375,493 0.83,494 1.222,495 0.764,496 1.011,497 0.71,498 0.901,499 0.697,500 1.05,501 0.709,502 0.921,503 0.474,504 0.835,505 1.141,506 1.158,507 0.936,508 0.979,509 0.822,510 0.936,511 0.906,512 0.936,513 0.909,514 0.926,515 0.653,516 0.919,517 1.399,518 1.035,519 1.177,520 0.992,521 1.033,522 1.041,523 1.222,524 1.314,525 1.292,526 1.336,527 1.077,528 1.326,529 1.294,530 0.892,531 1.322,532 1.075,533 1.041,534 1.18,535 0.384,536 0.778,537 0.734,538 0.917,539 0.436,540 0.885,541 4,542 0.054,543 2.667,544 1.854,545 1.656,546 0.917,547 0.428,548 0.301,549 0.183,550 0.11,551 4417,552 12542,553 2.043,554 42.1,556 5,558 1,559 2,560 2,561 6,564 1.649,565 1.886,566 3.06,567 0.348,568 1,569 1,571 1,573 55.911,574 1.471,575 3.823,576 4.366,577 4.471,578 4.471,579 4.471,580 2.556,581 4.005,582 4.423,583 3.219,584 743.476,585 7.625,586 7899.4,587 1,588 1,590 1,591 199.421,592 1.495,593 4.376,594 0.167,595 0.008,596 0.078,597 0.052,598 0.047,599 0.032,600 0.017,601 0.019,602 0.015,603 0.011,604 0.445,605 0.5,606 1,607 1.167,608 99.461,609 0.028,610 -0.056,611 0.044,612 -0.009,613 -0.038,614 0.015,615 0.205,616 0.023,617 0.18,618 0.074,619 0.073,620 0.114,621 -0.114,622 -0.095,623 -0.018,624 -0.021,625 -0.066,626 -0.008,627 0.15,628 0.076,629 0.057,630 0.027,631 0.089,632 0.028,633 -0.325,634 -0.008,635 -0.225,636 -0.049,637 -0.134,638 -0.109,639 -0.266,640 -0.272,641 -0.385,642 -0.37,643 -0.166,644 -0.391,645 -0.301,646 0.023,647 -0.307,648 -0.11,649 -0.252,650 -0.192,651 0.297,652 -0.041,653 0.355,654 0.142,655 0.245,656 0.237,657 1.243,658 2.749,659 0.682,660 17.124,661 1.001,662 1.133,663 3.051,664 9.306,665 0.68,666 3.219,667 3.555,668 3.871,669 4.19,670 4.443,671 4.564,672 4.635,673 4.718,674 4.7,675 4.663,676 5.136,677 0.652,678 292.38,679 3.219,680 4.762,681 5.631,682 6.532,683 7.431,684 8.344,685 9.253,686 10.172,687 11.087,688 12.008,689 15.8,693 1,697 1,698 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,731 38,733 17,734 1,735 24,737 40,738 16,739 11,740 2,741 4,746 3,747 4,752 2,758 2,760 1,761 11,762 4,777 1,778 1,781 16,782 5,783 2,784 6,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,822 1,840 2,844 2,848 22,849 1,854 1,858 1,861 1,866 1,868 1,877 11.667,878 7.583,879 4.917,880 2.296,881 3.325,882 1.478,883 0.984,884 3.685,885 10.285,886 3.555,887 4.186,888 4.859,889 5.549,890 6.13,891 6.528,892 6.968,893 7.416,894 7.667,895 7.975,896 0.833,897 36,898 8.048,900 3.368,901 7.788,902 15.26,904 12.336,905 2.288,906 50.333,910 164.795,911 99.054,912 115.967,917 99.054,918 164.795,919 115.967,920 17.65,921 2.535,922 70.802,923 80.322,924 53.155,925 2.328,926 153.024,928 164.795,929 215.022,933 94.169,934 70.627,937 66.112,938 98.676,939 50.234,941 164.795,942 115.967,943 99.054,946 164.795,947 18.279,948 65.951,949 16.602,950 114.191,951 164.795,952 115.967,953 99.054,955 0.578,956 0.346,957 0.199,958 0.115,959 17,960 8,961 0.075,962 3,963 1,964 1.133,965 3.319,966 177.322,967 0.133,968 15,969 92.107,974 14.344,975 5.652,976 2.52,977 1.503,978 114.191,979 9.215,980 13.071,984 3.106,985 1.853,986 32.897,987 379.817,988 34,999 38.029,1000 43.066,1001 0.28,1002 0.729,1003 0.832,1004 0.852,1005 0.852,1006 0.852,1007 4.796,1008 1,1009 5.631,1010 2.776,1011 4.234,1012 4.871,1013 2.615,1014 6.497,1015 4.164,1016 6.038,1017 1,1018 7.223,1019 2.275,1020 3.892,1021 4.745,1023 7.532,1024 3.793,1025 7.366,1026 0.799,1027 8.921,1028 2.115,1029 5.866,1030 7.173,1031 4.398,1032 10.683,1033 5.732,1034 8.734,1035 -0.128,1036 10.681,1037 1.756,1038 6.365,1039 7.939,1041 12.586,1042 6.197,1043 10.136,1044 -0.306,1045 12.482,1046 -0.24,1047 7.828,1048 9.827,1049 6.233,1050 15.277,1051 7.628,1052 11.565,1053 -0.717,1054 14.312,1055 -0.696,1056 8.708,1057 11.018,1059 17.533,1060 8.47,1061 13.016,1062 -0.887,1063 16.164,1064 -1.48,1065 9.983,1066 12.692,1067 8.077,1068 20.081,1069 9.712,1070 3.335,1071 -1,1072 18.032,1073 -2,1074 11.037,1075 14.083,1077 22.479,1078 10.725,1079 2.696,1080 12.08,1081 19.913,1082 -2.316,1083 12.248,1084 15.676,1085 9.923,1086 24.984,1087 11.902,1088 2.502,1089 8.817,1090 21.806,1091 4.73,1092 13.38,1093 17.157,1095 27.438,1096 12.994,1097 2.296,1098 7.643,1099 23.707,1100 3.682,1101 14.575,1102 18.72,1103 11.769,1104 29.931,1105 14.151,1106 1.743,1107 6.81,1108 25.616,1109 3.205,1110 15.743,1111 20.241,1113 32.407,1114 15.28,1115 1.548,1116 4.818,1117 27.532,1118 3.021,1119 16.936,1120 21.795,1121 13.615,1122 34.898,1123 16.435,1124 1.155,1125 4.166,1126 29.453,1127 2.281,1128 18.121,1129 23.333,1131 37.383,1132 17.581,1133 4432,1134 7565,1135 15.72,1136 25.841,1137 37.379,1138 39.571,1139 38.275,1140 36.177,1141 36.147,1142 49.76,1143 5.034,1144 106.512,1145 34.832,1146 5.442,1147 6.055,1148 6.808,1149 5.371,1150 5.335,1151 7.73,1152 5.034,1153 19.53,1154 5.214,1155 11.603,1156 1.557,1157 1.649,1158 1.595,1159 1.507,1160 1.506,1161 2.073,1162 0.21,1163 4.438,1164 1.451,1165 4.134,1166 4.181,1167 4.115,1168 4.003,1169 6.818,1170 4.022,1171 3.869,1172 3.905,1173 3.809,1174 3.774,1175 5.256,1176 3.782,1177 3.577,1178 3.655,1179 3.445,1180 3.41,1181 4.881,1182 3.401,1183 3.406,1184 3.464,1185 3.341,1186 3.255,1187 4.687,1188 3.268,1189 3.157,1190 3.248,1191 3.064,1192 2.913,1193 4.473,1194 2.946,1195 2.992,1196 3.101,1197 2.875,1198 2.735,1199 4.074,1200 2.723,1201 2.874,1202 3.009,1203 2.687,1204 2.683,1205 3.727,1206 2.715,1207 2.854,1208 2.925,1209 2.616,1210 2.618,1211 3.674,1212 2.57,1213 0.198,1214 0.169,1215 0.293,1216 0.179,1217 0.139,1218 4.757,1219 0.197,1220 4.055,1221 0.105,1222 7.038,1223 0.503,1224 4.298,1225 0.134,1226 3.335,1227 4.73,1228 2.517,1229 12.08,1230 3.214,1231 1.955,1232 1.932,1233 2.047,1234 2.043,1235 1.19,1236 2.039,1237 1.808,1238 1.76,1239 1.947,1240 1.996,1241 1.143,1242 1.983,1243 1.626,1244 1.561,1245 1.791,1246 1.823,1247 0.892,1248 1.824,1249 1.373,1250 1.318,1251 1.543,1252 1.553,1253 0.625,1254 1.553,1255 1.07,1256 0.998,1257 1.417,1258 1.366,1259 0.469,1260 1.34,1261 0.934,1262 0.821,1263 1.229,1264 1.239,1265 0.218,1266 1.308,1267 0.886,1268 0.804,1269 1.181,1270 1.186,1271 0.189,1272 1.168,1273 0.847,1274 0.758,1275 1.093,1276 1.062,1277 0.032,1278 1.107,1279 3.892,1281 5.22,1282 2.398,1283 6.756,1284 4.844,1285 8.39,1286 7.081,1287 10.077,1289 4.092,1293 6.038,1295 0.396,1299 0.17,1303 8.749,1304 2.141,1305 24.762,1306 55.911,1307 145.282,1308 165.911,1309 169.911,1310 169.911,1311 169.911,1312 31.955,1313 6.959,1314 93.41,1315 93.41,1316 17,1317 12.517,1318 4.17,1319 3.459,1320 34.339,1321 65,1322 88,1323 0.264,1324 156.487,1325 257.82,1326 373.588,1327 8272,1329 15.69,1330 0.713,1331 0.567,1332 15.69,1333 12.485,1334 10.613,1335 0.442,1336 0.294,1337 6.978,1338 10.242,1339 6.738,1340 5.651,1341 10.613,1342 7.064,1343 9.526,1344 0.28,1345 0.158,1346 9.526,1347 5.376,1348 7.987,1349 0.17,1350 0.075,1351 7.987,1352 3.518,1353 6.954,1354 0.107,1355 0.037,1356 6.954,1357 2.429,1358 5.703,1359 0.068,1360 0.02,1361 5.703,1362 1.667,1363 0.399,1364 66.177,1365 0.252,1366 21.29,1367 0.769,1368 116,1369 325.538,1370 126.13,1371 328.068,1372 456.08,1373 306,1374 139,1375 348.701,1376 150.129,1377 355.766,1378 518.65,1379 334,1380 5}
{0 CHEMBL1240553,1 1.591,2 8.68,3 3.069,4 9.419,5 96.736,6 7.379,7 0.571,8 3.952,9 4.076,10 3.521,11 3.431,12 5.048,13 3.431,14 4.501,15 4.681,16 3.881,17 3.831,18 5.507,19 3.812,20 4.686,21 4.894,22 3.963,23 3.936,24 5.679,25 3.898,26 4.731,27 4.95,28 3.988,29 3.958,30 5.783,31 3.923,32 4.748,33 4.958,34 3.877,35 3.988,36 5.739,37 3.925,38 4.71,39 4.925,40 3.823,41 3.959,42 5.694,43 3.872,44 4.757,45 5.011,46 3.719,47 3.868,48 5.714,49 3.761,50 4.658,51 4.926,52 3.434,53 3.67,54 5.563,55 3.538,56 0.063,57 0.716,58 9.816,59 3.972,60 10.19,61 5.333,62 0.292,63 1.124,64 19.206,65 6.653,66 24.271,67 9.133,68 0.338,69 1.318,70 23.593,71 7.574,72 26.962,73 11.231,74 0.405,75 1.381,76 25.062,77 7.632,78 37.62,79 11.228,80 0.431,81 1.375,82 25.429,83 7.785,84 37.63,85 11.379,86 0.298,87 1.332,88 23.901,89 8.16,90 30.558,91 12.103,92 0.46,93 1.263,94 26.872,95 8.326,96 43.361,97 12.751,98 0.471,99 1.046,100 25.29,101 7.528,102 43.699,103 11.376,104 14,105 40,106 0.273,107 0.614,108 0.737,109 0.792,110 0.8,111 0.807,112 3.269,113 0.904,114 -4.62,115 -4.54,116 -4.27,119 39.1,121 4,124 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 9,177 1,178 1,180 1,183 6,185 1,186 2,187 11,195 3,198 2,199 11,201 3,202 3,204 1,207 3,209 1,211 1,212 8,217 2,220 4,222 2,223 2,224 5,229 3,232 6,234 3,236 3,237 2,239 1,240 1,242 2,245 6,247 2,249 2,250 2,252 1,253 1,258 2,263 4,275 879,276 17.378,277 17.378,278 17.378,279 17.378,280 17.378,281 15.547,282 16.719,283 10.08,284 17.967,285 13.696,286 13.696,287 13.696,288 13.696,289 13.696,290 10.755,291 15.44,292 4.572,293 14.465,294 3.933,295 1.943,296 1.223,297 0.902,298 0.859,299 0.815,300 3.964,303 1,304 1,305 1,306 473,307 2.55,310 104.123,311 132.062,314 93.057,318 1.238,319 20.887,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 217,332 4.764,333 3.395,334 7.051,335 4.311,336 3.348,337 4.733,338 0.86,339 12.147,340 3.226,341 4.263,342 3.182,343 6.285,344 3.851,345 2.899,346 3.916,347 0.86,348 9.452,349 2.759,350 3.884,351 2.79,352 6.125,353 3.63,354 2.669,355 3.247,357 8.883,358 2.562,359 3.708,360 2.452,361 5.745,362 3.313,363 2.36,364 3.113,366 7.603,367 2.241,368 3.239,369 2.178,370 5.079,371 2.949,372 1.995,373 2.365,375 5.69,376 1.898,377 3.008,378 2.038,379 4.516,380 2.523,381 1.614,382 2.247,384 4.324,385 1.461,386 2.919,387 1.563,388 4.33,389 2.462,390 1.524,391 2.057,393 3.982,394 1.425,395 2.639,396 1.411,397 4.234,398 2.307,399 1.343,400 1.685,402 3.529,403 1.291,404 2.455,405 1.155,406 3.665,407 1.991,408 1.057,409 1.441,411 2.579,412 0.984,413 1.893,414 0.949,415 3.25,416 1.678,417 0.714,418 0.819,420 1.754,421 0.684,422 1.832,423 0.919,424 3.04,425 1.618,426 0.618,427 0.734,428 1.372,429 0.618,430 1.618,431 0.694,432 3,433 1.527,434 0.618,435 0.618,436 1.165,437 0.558,438 1.453,439 0.618,440 2.702,441 1.184,442 0.334,443 0.364,445 0.445,446 0.281,447 1.061,448 -0.002,449 2.473,450 0.638,451 -0.278,452 -0.35,454 -0.63,455 -0.254,456 0.867,457 -0.168,458 2.445,459 0.476,460 -0.449,461 -0.555,463 -0.866,464 -0.408,465 11.667,466 0.467,467 0.534,468 0.021,469 32.5,470 1.3,471 15.5,472 0.62,473 17,474 0.68,475 20.607,476 0.824,477 27.333,478 0.594,479 23.236,480 0.929,481 6.176,482 0.247,483 6.048,484 0.242,485 0.12,487 0.377,493 0.883,494 1.354,495 0.781,496 1.173,497 0.932,498 0.989,499 1.163,500 1.029,501 0.832,502 0.888,503 0.827,504 0.828,505 0.855,506 1.253,507 0.833,508 1.032,509 0.673,510 0.939,511 1.011,512 0.992,513 0.898,514 0.901,515 0.939,516 0.875,517 1.281,518 1.064,519 1.189,520 0.986,521 1.211,522 1.051,523 0.739,524 1.246,525 1.089,526 1.246,527 1.075,528 1.22,529 0.707,530 1.042,531 0.993,532 1.086,533 1.086,534 1.08,535 0.979,536 0.908,537 1.09,538 1.047,539 1.039,540 1.079,541 4,542 0.052,543 3.111,544 1.944,545 1.807,546 0.921,547 0.551,548 0.471,549 0.241,550 0.113,551 6422,552 15947,553 2.13,554 45.7,555 4,556 10,558 1,559 2,561 4,564 1.688,565 2,566 3.112,567 0.312,568 1,569 1,573 73.177,574 1.591,575 3.581,576 4.3,577 4.621,578 4.665,579 4.708,580 2.504,581 4.324,582 4.614,583 3.227,584 968.01,585 8.022,586 11246.2,588 1,590 1,591 254.084,592 1.388,593 4.579,594 0.143,595 0.007,596 0.078,597 0.046,598 0.042,599 0.024,600 0.016,601 0.016,602 0.011,603 0.008,604 0.392,605 0.17,606 1,607 0.844,608 117.476,609 -0.004,610 -0.119,611 0.074,612 -0.08,613 -0.021,614 -0.002,615 -0.054,616 0.069,617 0.108,618 0.137,619 0.082,620 0.139,621 0.083,622 -0.186,623 0.112,624 -0.036,625 0.183,626 0.032,627 -0.007,628 0.097,629 0.063,630 0.053,631 0.073,632 0.065,633 -0.235,634 0.019,635 -0.238,636 -0.012,637 -0.231,638 -0.107,639 0.015,640 -0.17,641 -0.173,642 -0.235,643 -0.117,644 -0.234,645 0.157,646 -0.066,647 -0.02,648 -0.12,649 0.001,650 -0.1,651 0.059,652 -0.003,653 -0.078,654 -0.098,655 0.027,656 -0.106,657 1.223,658 2.173,659 0.8,660 19.606,661 1.005,662 1.135,663 3.386,664 11.463,665 0.653,666 3.367,667 3.714,668 4.078,669 4.407,670 4.635,671 4.82,672 4.997,673 5.153,674 5.215,675 5.187,676 5.277,677 0.625,678 339.44,679 3.367,680 4.92,681 5.808,682 6.715,683 7.625,684 8.543,685 9.462,686 10.385,687 11.308,688 12.235,689 10.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 46,733 16,734 1,735 28,737 49,738 18,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 7,777 1,778 1,781 21,782 6,783 2,784 7,790 5,794 0.75,795 2,803 1,806 1,811 2,812 2,815 1,840 3,844 2,848 25,849 1,854 4,856 2,858 1,870 4.3,875 2,877 12.5,878 8.883,879 5.611,880 2.78,881 3.109,882 1.417,883 0.993,884 4.318,885 10.556,886 3.611,887 4.259,888 4.955,889 5.626,890 6.204,891 6.643,892 7.117,893 7.579,894 7.885,895 8.173,896 0.833,897 42,898 9.211,900 3.916,901 7.62,902 17.805,904 14.803,905 2.12,906 53,909 1,910 223.651,911 91.997,912 84.908,914 22,917 91.997,918 245.651,919 84.908,920 21.766,921 10.138,922 61.326,923 63.72,924 51.397,925 2.328,926 211.88,928 223.651,929 176.905,930 22,933 176.567,934 69.084,937 25.005,938 101.665,939 50.234,941 223.651,942 106.908,943 91.997,946 223.651,947 33.183,948 60.59,950 105.131,951 223.651,952 106.908,953 91.997,955 0.577,956 0.365,957 0.212,958 0.11,959 21,960 9,961 0.082,962 4,963 1,964 1.1,965 3.594,966 222.562,967 0.1,968 20,969 110.096,974 16.308,975 6.619,976 2.754,977 1.589,978 105.131,979 7.234,980 13.501,984 3.454,985 2.02,986 32.897,987 422.555,988 36,999 46.232,1000 52.232,1001 0.288,1002 0.648,1003 0.779,1004 0.837,1005 0.845,1006 0.852,1007 4.86,1008 1.343,1009 5.802,1010 3.982,1011 4.394,1012 4.945,1013 1.376,1014 6.681,1015 4.297,1016 6.078,1017 1.057,1018 7.399,1019 3.529,1020 4.007,1021 4.856,1023 7.722,1024 3.871,1025 7.409,1026 0.714,1027 9.101,1028 2.579,1029 6.043,1030 7.247,1031 1.159,1032 10.879,1033 5.866,1034 8.786,1035 0.618,1036 10.865,1037 1.754,1038 6.538,1039 8.053,1041 12.775,1042 6.321,1043 10.2,1044 0.618,1045 12.669,1046 1.372,1047 8.011,1048 9.907,1049 0.963,1050 15.457,1051 7.76,1052 11.641,1053 0.334,1054 14.5,1055 1.165,1056 8.893,1057 11.116,1059 17.695,1060 8.601,1061 13.102,1062 -0.278,1063 16.351,1064 0.445,1065 10.167,1066 12.771,1067 0.787,1068 20.233,1069 9.842,1070 3.348,1071 -0.449,1072 18.217,1073 -0.63,1074 11.219,1075 14.165,1077 22.615,1078 10.855,1079 2.899,1080 12.147,1081 20.094,1082 -0.866,1083 12.425,1084 15.746,1085 0.634,1086 25.112,1087 12.027,1088 2.669,1089 9.452,1090 21.982,1091 4.733,1092 13.552,1093 17.224,1095 27.556,1096 13.116,1097 2.36,1098 8.883,1099 23.877,1100 3.916,1101 14.74,1102 18.779,1103 0.504,1104 30.044,1105 14.27,1106 1.995,1107 7.603,1108 25.78,1109 3.247,1110 15.902,1111 20.295,1113 32.515,1114 15.395,1115 1.614,1116 5.69,1117 27.688,1118 3.113,1119 17.089,1120 21.843,1121 0.395,1122 35.004,1123 16.547,1124 1.524,1125 4.324,1126 29.601,1127 2.365,1128 18.268,1129 23.377,1131 37.488,1132 17.69,1133 6183,1134 9883,1135 18.898,1136 30.029,1137 41.921,1138 42.75,1139 44.069,1140 42.175,1141 42.186,1142 54.679,1143 3.44,1144 125.847,1145 39.979,1146 5.666,1147 5.395,1148 6.646,1149 5.386,1150 5.348,1151 7.733,1152 1.72,1153 19.686,1154 5.226,1155 10.948,1156 1.497,1157 1.527,1158 1.574,1159 1.506,1160 1.507,1161 1.953,1162 0.123,1163 4.495,1164 1.428,1165 4.146,1166 4.193,1167 4.125,1168 4.005,1169 5.257,1170 4.027,1171 3.873,1172 3.9,1173 3.819,1174 3.768,1175 4.943,1176 3.773,1177 3.78,1178 3.83,1179 3.663,1180 3.653,1181 4.834,1182 3.652,1183 3.323,1184 3.398,1185 3.248,1186 3.061,1187 4.517,1188 3.096,1189 3.247,1190 3.314,1191 3.06,1192 2.953,1193 4.494,1194 2.962,1195 3.201,1196 3.283,1197 3.049,1198 2.917,1199 4.273,1200 2.939,1201 2.996,1202 3.098,1203 2.865,1204 2.764,1205 4.129,1206 2.772,1207 2.869,1208 2.979,1209 2.626,1210 2.671,1211 3.694,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.764,1219 0.169,1220 3.395,1221 0.031,1222 7.051,1223 0.434,1224 4.311,1225 0.115,1226 3.348,1227 4.733,1228 0.86,1229 12.147,1230 3.226,1231 1.926,1232 1.909,1233 1.993,1234 2.037,1235 1.243,1236 2.019,1237 1.788,1238 1.745,1239 1.89,1240 1.979,1241 1.211,1242 1.954,1243 1.588,1244 1.533,1245 1.86,1246 1.789,1247 1.125,1248 1.793,1249 1.577,1250 1.507,1251 1.751,1252 1.751,1253 0.847,1254 1.781,1255 1.235,1256 1.178,1257 1.576,1258 1.524,1259 0.575,1260 1.54,1261 1.191,1262 1.115,1263 1.564,1264 1.515,1265 0.573,1266 1.53,1267 1.06,1268 0.977,1269 1.239,1270 1.35,1271 0.274,1272 1.334,1273 0.86,1274 0.771,1275 1.142,1276 1.189,1277 0.15,1278 1.18,1279 4.043,1281 5.38,1282 3.045,1283 6.925,1284 5.352,1285 8.567,1286 7.455,1287 10.263,1289 3.238,1293 6.173,1295 4.675,1297 10.75,1299 0.366,1305 28.751,1306 73.177,1307 164.726,1308 197.819,1309 212.574,1310 214.574,1311 216.574,1312 34.38,1313 7.447,1314 88.08,1315 88.08,1316 22,1317 12.74,1318 4.087,1319 3.17,1320 35.612,1321 77,1322 86,1323 0.229,1324 175.331,1325 291.92,1326 419.568,1327 15114,1329 17.389,1330 0.696,1331 0.576,1332 17.389,1333 14.398,1334 12.224,1335 0.437,1336 0.301,1337 8.275,1338 11.603,1339 8.069,1340 6.711,1341 12.224,1342 8.437,1343 10.667,1344 0.267,1345 0.156,1346 10.667,1347 6.259,1348 9.777,1349 0.169,1350 0.084,1351 9.777,1352 4.846,1353 8.591,1354 0.106,1355 0.044,1356 8.591,1357 3.584,1358 6.664,1359 0.065,1360 0.021,1361 6.664,1362 2.113,1363 0.344,1364 77.717,1365 0.23,1366 23.58,1367 0.677,1368 136,1369 395.364,1370 151.193,1371 376.571,1372 528.97,1373 356,1374 166,1375 405.384,1376 183.053,1377 409.389,1378 604.38,1379 383,1380 6.539}
{0 CHEMBL1240554,1 1.567,2 9.385,3 3.418,4 11.682,5 101.484,6 7.214,7 0.552,8 4.005,9 4.132,10 3.555,11 3.487,12 5.074,13 3.479,14 4.562,15 4.746,16 3.914,17 3.88,18 5.556,19 3.854,20 4.766,21 4.987,22 3.987,23 3.975,24 5.733,25 3.932,26 4.756,27 4.972,28 4.026,29 4.003,30 5.797,31 3.967,32 4.798,33 5.001,34 3.95,35 4.061,36 5.791,37 3.997,38 4.815,39 5.029,40 3.883,41 4.049,42 5.787,43 3.956,44 4.849,45 5.107,46 3.759,47 3.957,48 5.776,49 3.835,50 4.756,51 5.038,52 3.505,53 3.754,54 5.623,55 3.614,56 0.053,57 0.754,58 10.765,59 4.304,60 10.087,61 5.876,62 0.258,63 1.183,64 20.779,65 7.209,66 24.877,67 10.072,68 0.395,69 1.373,70 26.62,71 8.153,72 32.429,73 12.201,74 0.383,75 1.427,76 25.925,77 7.944,78 37.154,79 11.774,80 0.384,81 1.46,82 26.796,83 8.423,84 37.537,85 12.39,86 0.341,87 1.447,88 27.233,89 9.178,90 35.689,91 13.552,92 0.451,93 1.374,94 29.6,95 9.357,96 44.85,97 14.376,98 0.473,99 1.138,100 28.17,101 8.417,102 45.762,103 12.909,104 15,105 41,106 0.265,107 0.611,108 0.784,109 0.835,110 0.835,111 0.835,112 3.305,113 0.934,114 -4.85,115 -4.76,116 -4.47,119 38.8,120 1,121 4,124 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 10,177 1,178 1,180 1,183 6,185 1,186 2,187 11,195 3,198 2,199 11,201 3,202 3,204 1,207 4,209 1,211 1,212 9,217 2,220 6,222 2,223 2,224 5,229 3,232 7,234 3,236 3,237 2,239 1,240 1,242 2,245 6,247 2,249 2,250 3,252 1,253 1,258 3,263 5,275 996,276 18.085,277 18.085,278 18.085,279 18.085,280 18.085,281 16.254,282 17.798,283 10.689,284 18.712,285 14.234,286 14.234,287 14.234,288 14.234,289 14.234,290 11.316,291 16.603,292 4.876,293 15.075,294 4.048,295 2.005,296 0.985,297 0.684,298 0.684,299 0.684,300 4.002,303 1,304 1,305 1,306 531,307 2.739,310 110.683,311 140.581,314 99.323,318 1.385,319 21.743,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 244,332 4.764,333 3.395,334 7.051,335 4.311,336 3.348,337 4.733,338 0.86,339 12.147,340 3.226,341 4.265,342 3.194,343 6.287,344 3.855,345 2.904,346 3.918,347 0.86,348 9.466,349 2.761,350 3.885,351 2.791,352 6.13,353 3.632,354 2.67,355 3.248,357 8.911,358 2.563,359 3.711,360 2.464,361 5.747,362 3.317,363 2.364,364 3.115,366 7.617,367 2.244,368 3.239,369 2.246,370 5.079,371 2.949,372 1.995,373 2.365,375 5.69,376 1.899,377 3.013,378 2.038,379 4.531,380 2.567,381 1.669,382 2.25,384 4.441,385 1.493,386 2.933,387 1.591,388 4.349,389 2.464,390 1.526,391 2.069,393 4.007,394 1.427,395 2.64,396 1.424,397 4.234,398 2.307,399 1.344,400 1.686,402 3.529,403 1.291,404 2.469,405 1.364,406 3.666,407 2.061,408 1.132,409 1.461,411 2.595,412 1.044,413 2.184,414 1.038,415 3.26,416 1.907,417 0.965,418 1.147,420 1.927,421 0.904,422 1.854,423 0.939,424 3.228,425 1.654,426 0.678,427 0.779,428 1.701,429 0.66,430 1.661,431 0.703,432 3,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.618,440 2.762,441 1.383,442 0.502,443 0.568,445 0.781,446 0.437,447 1.111,448 0.227,449 2.681,450 0.815,451 -0.108,452 -0.123,454 -0.183,455 -0.098,456 1.046,457 -0.159,458 2.461,459 0.611,460 -0.3,461 -0.381,463 -0.689,464 -0.273,465 12.167,466 0.468,467 0.534,468 0.021,469 33,470 1.269,471 15.5,472 0.596,473 17.5,474 0.673,475 22.527,476 0.866,477 28.633,478 0.584,479 23.616,480 0.908,481 6.119,482 0.235,483 6.605,484 0.254,485 0.115,487 0.362,493 0.879,494 1.362,495 0.804,496 1.188,497 0.954,498 1.012,499 1.123,500 1.09,501 0.841,502 0.969,503 0.791,504 0.885,505 1.047,506 1.157,507 0.838,508 0.929,509 0.782,510 0.861,511 1.032,512 0.996,513 0.893,514 0.894,515 0.962,516 0.865,517 1.26,518 1.114,519 1.179,520 1.044,521 1.18,522 1.082,523 0.918,524 1.225,525 1.147,526 1.231,527 1.168,528 1.224,529 0.683,530 1.067,531 1.009,532 1.122,533 1.077,534 1.113,535 0.912,536 0.883,537 0.99,538 0.978,539 0.954,540 0.993,541 4,542 0.061,543 3.111,544 1.944,545 1.807,546 1.004,547 0.591,548 0.471,549 0.241,550 0.157,551 7215,552 17150,553 2.124,554 46.9,555 4,556 9,558 1,559 2,561 7,564 1.698,565 2,566 3.196,567 0.289,569 1,573 76.759,574 1.567,575 3.61,576 4.63,577 4.931,578 4.931,579 4.931,580 2.676,581 4.393,582 4.668,583 3.322,584 1079.71,585 8.129,586 12925.1,588 1,590 1,591 275.121,592 1.37,593 4.637,594 0.138,595 0.006,596 0.076,597 0.045,598 0.04,599 0.024,600 0.016,601 0.015,602 0.01,603 0.009,604 0.38,605 0.17,606 1,607 1.006,608 124.396,609 0.006,610 -0.114,611 0.074,612 -0.076,613 -0.033,614 -0.002,615 -0.015,616 0.013,617 0.111,618 0.066,619 0.122,620 0.095,621 0.046,622 -0.12,623 0.141,624 0.056,625 0.156,626 0.105,628 0.115,629 0.075,630 0.071,631 0.073,632 0.081,633 -0.21,634 -0.004,635 -0.227,636 -0.05,637 -0.193,638 -0.125,639 -0.037,640 -0.155,641 -0.21,642 -0.215,643 -0.154,644 -0.237,645 0.159,646 -0.089,647 -0.042,648 -0.148,649 -0.014,650 -0.128,651 0.097,652 0.006,653 0.02,654 -0.032,655 0.085,656 -0.017,657 1.22,658 2.194,659 0.769,660 21.793,661 1.002,662 1.136,663 3.618,664 13.091,665 0.649,666 3.401,667 3.738,668 4.094,669 4.431,670 4.663,671 4.844,672 5.024,673 5.187,674 5.252,675 5.257,676 5.552,677 0.618,678 353.47,679 3.401,680 4.949,681 5.832,682 6.737,683 7.644,684 8.561,685 9.479,686 10.401,687 11.324,688 12.25,689 10.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 49,733 16,734 1,735 29,737 52,738 19,739 11,740 3,741 3,746 4,747 5,752 1,755 5,758 5,761 11,762 8,777 1,778 1,781 23,782 6,783 2,784 7,790 5,794 0.75,795 2,803 1,806 1,811 2,812 2,815 1,840 3,844 2,848 26,849 1,854 5,856 2,858 1,870 4.1,875 2,877 13,878 9.383,879 5.861,880 3.197,881 3.116,882 1.414,883 0.987,884 4.789,885 10.641,886 3.638,887 4.273,888 4.962,889 5.636,890 6.216,891 6.653,892 7.131,893 7.597,894 7.905,895 8.209,896 1,897 43,898 9.598,900 4.066,901 7.596,902 18.622,904 15.439,905 2.096,906 54.5,908 1,909 1,910 247.193,911 94.531,912 84.908,914 22,917 94.531,918 269.193,919 84.908,920 19.708,921 14.731,922 61.326,923 63.72,924 51.397,925 2.328,926 235.422,928 247.193,929 179.439,930 22,933 164.795,934 104.397,937 38.423,938 90.782,939 50.234,941 247.193,942 106.908,943 94.531,946 247.193,947 37.776,948 58.532,950 105.131,951 247.193,952 106.908,953 94.531,955 0.572,956 0.356,957 0.211,958 0.114,959 21,960 9,961 0.096,962 5,963 1,964 1.1,965 3.691,966 232.941,967 0.1,968 20,969 118.211,974 17.255,975 7.216,976 3.074,977 1.595,978 105.131,979 7.31,980 13.547,984 3.521,985 2.026,986 32.897,987 448.632,988 37,999 49.116,1000 55.647,1001 0.279,1002 0.643,1003 0.825,1004 0.878,1005 0.878,1006 0.878,1007 4.883,1008 1.344,1009 5.82,1010 4.007,1011 4.419,1012 4.959,1013 1.376,1014 6.693,1015 4.319,1016 6.094,1017 1.132,1018 7.412,1019 3.529,1020 4.007,1021 4.856,1023 7.722,1024 3.871,1025 7.421,1026 0.965,1027 9.109,1028 2.595,1029 6.057,1030 7.251,1031 1.159,1032 10.886,1033 5.875,1034 8.794,1035 0.678,1036 10.871,1037 1.927,1038 6.538,1039 8.053,1041 12.778,1042 6.321,1043 10.205,1044 0.618,1045 12.673,1046 1.701,1047 8.02,1048 9.909,1049 0.963,1050 15.462,1051 7.765,1052 11.645,1053 0.502,1054 14.503,1055 1.372,1056 8.895,1057 11.116,1059 17.698,1060 8.602,1061 13.105,1062 -0.108,1063 16.354,1064 0.781,1065 10.172,1066 12.772,1067 0.787,1068 20.237,1069 9.845,1070 3.348,1071 -0.3,1072 18.219,1073 -0.183,1074 11.221,1075 14.166,1077 22.618,1078 10.856,1079 2.904,1080 12.147,1081 20.097,1082 -0.689,1083 12.429,1084 15.747,1085 0.634,1086 25.114,1087 12.029,1088 2.67,1089 9.466,1090 21.984,1091 4.733,1092 13.555,1093 17.224,1095 27.558,1096 13.118,1097 2.364,1098 8.911,1099 23.879,1100 3.918,1101 14.744,1102 18.78,1103 0.504,1104 30.046,1105 14.272,1106 1.995,1107 7.617,1108 25.781,1109 3.248,1110 15.905,1111 20.295,1113 32.517,1114 15.396,1115 1.669,1116 5.69,1117 27.69,1118 3.115,1119 17.092,1120 21.844,1121 0.395,1122 35.005,1123 16.548,1124 1.526,1125 4.441,1126 29.603,1127 2.365,1128 18.271,1129 23.378,1131 37.489,1132 17.691,1133 6963,1134 10888,1135 19.592,1136 31.79,1137 43.299,1138 43.975,1139 45.26,1140 43.486,1141 43.43,1142 55.912,1143 3.44,1144 128.366,1145 41.133,1146 5.666,1147 5.395,1148 6.817,1149 5.386,1150 5.348,1151 7.733,1152 1.72,1153 19.686,1154 5.226,1155 11.328,1156 1.493,1157 1.516,1158 1.561,1159 1.5,1160 1.498,1161 1.928,1162 0.119,1163 4.426,1164 1.418,1165 4.146,1166 4.193,1167 4.125,1168 4.005,1169 5.257,1170 4.028,1171 3.876,1172 3.902,1173 3.822,1174 3.769,1175 4.936,1176 3.775,1177 3.781,1178 3.832,1179 3.663,1180 3.654,1181 4.831,1182 3.653,1183 3.465,1184 3.536,1185 3.3,1186 3.26,1187 4.514,1188 3.252,1189 3.298,1190 3.379,1191 3.195,1192 3.024,1193 4.478,1194 3.058,1195 3.222,1196 3.3,1197 3.058,1198 2.944,1199 4.274,1200 2.959,1201 3.016,1202 3.11,1203 2.906,1204 2.804,1205 4.131,1206 2.817,1207 2.869,1208 2.979,1209 2.69,1210 2.671,1211 3.734,1212 2.635,1213 0.164,1214 0.117,1215 0.243,1216 0.149,1217 0.115,1218 4.764,1219 0.163,1220 3.395,1221 0.03,1222 7.051,1223 0.419,1224 4.311,1225 0.111,1226 3.348,1227 4.733,1228 0.86,1229 12.147,1230 3.226,1231 1.927,1232 1.91,1233 1.995,1234 2.037,1235 1.243,1236 2.02,1237 1.789,1238 1.746,1239 1.891,1240 1.981,1241 1.211,1242 1.956,1243 1.592,1244 1.535,1245 1.86,1246 1.796,1247 1.128,1248 1.793,1249 1.577,1250 1.507,1251 1.796,1252 1.751,1253 0.938,1254 1.79,1255 1.454,1256 1.381,1257 1.738,1258 1.688,1259 0.836,1260 1.717,1261 1.212,1262 1.146,1263 1.57,1264 1.517,1265 0.574,1266 1.534,1267 1.098,1268 1.031,1269 1.246,1270 1.364,1271 0.285,1272 1.344,1273 0.872,1274 0.783,1275 1.151,1276 1.21,1277 0.15,1278 1.198,1279 4.078,1281 5.407,1282 3.045,1283 6.944,1284 5.352,1285 8.582,1286 7.455,1287 10.275,1289 3.58,1293 6.194,1295 5.257,1297 11.103,1299 0.366,1305 30.278,1306 76.759,1307 176.879,1308 226.856,1309 241.611,1310 241.611,1311 241.611,1312 36.954,1313 7.525,1314 88.08,1315 88.08,1316 22,1317 12.755,1318 4.087,1319 3.17,1320 37.759,1321 84,1322 104,1323 0.221,1324 184.924,1325 309.22,1326 442.973,1327 16746,1329 18.096,1330 0.696,1331 0.581,1332 18.096,1333 15.105,1334 12.724,1335 0.439,1336 0.311,1337 8.871,1338 12.108,1339 8.665,1340 7.192,1341 12.724,1342 9.025,1343 11.048,1344 0.269,1345 0.158,1346 11.048,1347 6.488,1348 9.912,1349 0.168,1350 0.083,1351 9.912,1352 4.926,1353 8.805,1354 0.106,1355 0.044,1356 8.805,1357 3.691,1358 6.933,1359 0.066,1360 0.021,1361 6.933,1362 2.201,1363 0.335,1364 80.509,1365 0.226,1366 24.5,1367 0.647,1368 140,1369 399.364,1370 155.858,1371 380.179,1372 536.45,1373 360,1374 170,1375 414.293,1376 187.386,1377 414.885,1378 615.57,1379 391,1380 6.87}
{0 CHEMBL1240565,1 1.541,2 7.2,3 0.902,4 0.814,5 76.279,6 8.558,7 0.87,8 3.613,9 3.749,10 3.308,11 3.12,12 4.835,13 3.152,14 4.079,15 4.252,16 3.693,17 3.519,18 5.265,19 3.54,20 4.187,21 4.363,22 3.691,23 3.568,24 5.366,25 3.571,26 4.235,27 4.443,28 3.601,29 3.534,30 5.413,31 3.509,32 4.15,33 4.37,34 3.389,35 3.406,36 5.228,37 3.355,38 4.082,39 4.321,40 3.281,41 3.267,42 5.243,43 3.221,44 3.991,45 4.278,46 3.045,47 3.082,48 4.944,49 3.01,50 3.586,51 3.823,52 2.688,53 2.74,54 4.7,55 2.661,56 0.091,57 0.577,58 4.898,59 2.023,60 7.801,61 2.442,62 0.224,63 0.882,64 9.307,65 3.385,66 15.025,67 4.278,68 0.177,69 0.95,70 10.206,71 3.818,72 15.275,73 4.902,74 0.317,75 0.937,76 11.968,77 4.098,78 25.613,79 5.337,80 0.204,81 0.818,82 11.571,83 4.043,84 15.347,85 5.486,86 0.289,87 0.745,88 11.464,89 3.443,90 30.072,91 4.69,92 0.231,93 0.612,94 12.874,95 3.693,96 20.376,97 5.546,98 0.165,99 0.435,100 6.779,101 2.244,102 12.722,103 3.077,104 5,105 34,106 0.282,107 0.719,108 0.856,109 0.868,110 0.868,111 0.868,112 3.06,113 0.796,114 -3.56,115 -3.54,116 -3.37,119 41.9,124 1,142 2,143 3,145 1,146 1,147 1,148 1,151 1,161 2,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 2,180 3,183 3,185 1,186 1,187 4,192 1,195 2,198 3,199 5,201 3,202 3,204 2,207 1,209 1,211 1,212 4,217 1,220 1,222 1,223 2,224 3,226 1,227 2,229 2,234 1,237 2,240 1,242 1,247 1,253 2,254 1,257 1,275 442,276 13.723,277 13.723,278 13.723,279 13.723,280 13.723,281 11.402,282 6.325,283 7.872,284 14.078,285 11.354,286 11.354,287 11.354,288 11.354,289 11.354,290 7.876,291 5,292 3.711,293 11.932,294 3.413,295 1.028,296 0.282,297 0.218,298 0.218,299 0.218,300 3.758,304 1,305 1,306 324,307 2,310 71.894,311 83.16,314 129.521,318 1.02,319 15.395,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 43.5,331 144,332 4.741,333 3.329,334 6.987,335 4.272,336 3.305,337 4.724,339 11.875,340 3.196,341 4.41,342 2.924,343 6.221,344 3.886,345 2.92,346 4.351,348 9.32,349 2.821,350 3.794,351 2.419,352 5.876,353 3.369,354 2.405,355 3.278,357 7.995,358 2.316,359 3.648,360 2.372,361 5.501,362 3.194,363 2.26,364 3.086,366 6.774,367 2.107,368 3.051,369 1.554,370 4.519,371 2.488,372 1.552,373 2.327,375 4.386,376 1.451,377 3.033,378 1.533,379 4.335,380 2.48,381 1.533,382 2.3,384 4.058,385 1.445,386 2.712,387 1.407,388 4.324,389 2.246,390 1.302,391 1.801,393 3.66,394 1.225,395 2.624,396 1.154,397 3.643,398 2.089,399 1.149,400 1.68,402 2.624,403 1.077,404 2.411,405 0.959,406 3.428,407 1.886,408 0.943,409 1.371,411 2.263,412 0.887,413 1.892,414 0.404,415 3.036,416 1.343,417 0.4,418 0.595,420 0.991,421 0.377,422 1.094,423 -0.081,424 2.652,425 0.673,426 -0.241,427 -0.303,428 -0.567,429 -0.22,430 0.847,431 -0.48,432 2.44,433 0.38,434 -0.587,435 -0.764,436 -1.499,437 -0.565,438 0.73,439 -0.591,440 2.277,441 0.288,442 -0.628,443 -0.845,445 -1.644,446 -0.575,447 0.582,448 -0.893,449 2.217,450 0.065,451 -0.897,452 -1.327,454 -2.511,455 -0.86,456 0.303,457 -1.07,458 1.945,459 -0.142,460 -1.103,461 -1.585,463 -3.011,464 -1.057,465 9.3,466 0.465,467 0.521,468 0.026,469 31,470 1.55,471 16.5,472 0.825,473 14.5,474 0.725,475 11.41,476 0.57,477 20.1,478 0.648,479 20.007,480 1,481 6.149,482 0.307,483 3.588,484 0.179,485 0.097,487 0.419,493 1.007,494 1.312,495 0.679,496 0.934,497 1.103,498 0.777,499 0.913,500 0.927,501 0.674,502 0.712,503 0.689,504 0.656,505 1.057,506 1.356,507 0.9,508 1.132,509 0.927,510 1.012,511 0.964,512 0.87,513 1.074,514 0.994,515 1.014,516 1.045,517 1.021,518 1.208,519 1.113,520 1.236,521 0.857,522 1.202,523 1.134,524 0.89,525 1.193,526 1.012,527 1.537,528 1.095,529 0.922,530 0.891,531 0.848,532 0.834,533 0.842,534 0.827,535 0.933,536 1.016,537 1.322,538 1.336,539 1.014,540 1.396,541 3.5,543 2.667,544 1.861,545 1.352,546 0.469,547 0.363,548 0.273,549 0.096,550 0.007,551 3729,552 10499,553 2.195,554 35.5,556 5,557 1,558 2,559 3,564 1.622,565 2.069,566 2.87,567 1.201,569 1,571 1,573 47.769,574 1.541,575 3.926,576 4.672,577 4.736,578 4.736,579 4.736,580 2.228,581 4.222,582 4.299,583 2.97,584 564.211,585 7.361,586 5528.44,587 1,588 1,591 153.58,592 1.361,593 4.262,594 0.152,596 0.078,597 0.056,598 0.047,599 0.02,600 0.018,601 0.017,602 0.01,603 0.003,604 0.402,605 0.67,606 1,607 0.548,608 86.048,609 -0.115,610 -0.16,611 0.039,612 -0.01,613 -0.247,614 0.036,615 0.046,616 0.174,617 0.14,618 0.22,619 0.09,620 0.203,621 -0.148,622 -0.296,623 -0.074,624 -0.188,625 -0.056,626 -0.13,627 0.048,628 0.162,629 -0.171,630 -0.064,631 0.002,632 -0.144,633 -0.121,634 -0.251,635 -0.166,636 -0.253,637 0.014,638 -0.225,639 -0.061,640 0.077,641 -0.198,642 -0.083,643 -0.261,644 -0.153,645 0.045,646 -0.072,647 0.308,648 0.194,649 0.119,650 0.284,651 0.086,652 -0.075,653 -0.322,654 -0.389,655 0.037,656 -0.431,657 1.243,658 1.969,659 0.9,660 11.81,661 1.015,662 1.139,663 2.334,664 5.449,665 0.696,666 3.178,667 3.555,668 3.912,669 4.248,670 4.454,671 4.543,672 4.691,673 4.852,674 4.852,675 4.852,676 4.473,677 0.684,678 265.31,679 3.178,680 4.745,681 5.638,682 6.553,683 7.462,684 8.38,685 9.295,686 10.214,687 11.131,688 12.051,689 22.6,693 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,722 1,731 31,733 20,735 23,737 34,738 13,739 12,746 4,747 6,761 12,762 1,777 1,778 1,781 11,782 5,783 3,784 7,790 7,794 0.5,803 1,805 1,806 1,807 1,811 2,812 2,815 2,840 2,844 1,848 20,849 1,877 9.667,878 6,879 4.25,880 1.676,881 4.064,882 1.565,883 1.09,884 2.286,885 11.257,886 3.526,887 4.27,888 5.007,889 5.712,890 6.259,891 6.689,892 7.201,893 7.727,894 8.026,895 8.429,896 0.8,897 33,898 7.303,900 3.175,901 7.708,902 13.814,904 11.485,905 2.208,906 44.167,907 0.001,910 94.169,911 70.909,912 118.479,917 70.909,918 94.169,919 118.479,920 8.396,922 60.897,923 93.992,924 47.316,925 14.099,926 58.856,928 94.169,929 189.388,933 94.169,937 42.415,938 79.953,939 67.02,941 94.169,942 118.479,943 70.909,946 94.169,947 16.847,948 55.839,949 16.786,950 99.917,951 94.169,952 118.479,953 70.909,955 0.595,956 0.367,957 0.211,958 0.11,959 20,960 8,961 0.029,962 1,963 2,964 1.222,965 3.23,966 165.766,967 0.222,968 18,969 86.439,974 11.379,975 4.018,976 1.622,977 3.336,978 99.917,979 9.059,980 17.142,981 3.066,984 2.063,985 1.698,986 49.683,987 283.557,988 33,999 31.48,1000 35.319,1001 0.311,1002 0.792,1003 0.943,1004 0.956,1005 0.956,1006 0.956,1007 4.762,1008 1.149,1009 5.645,1010 3.66,1011 4.234,1012 4.956,1014 6.526,1015 4.143,1016 6.025,1017 0.943,1018 7.245,1019 2.624,1020 3.892,1021 4.913,1023 7.548,1024 3.781,1025 7.372,1026 0.4,1027 8.946,1028 2.263,1029 5.889,1030 7.353,1032 10.706,1033 5.727,1034 8.764,1035 -0.241,1036 10.708,1037 0.991,1038 6.399,1039 8.187,1041 12.587,1042 6.218,1043 10.189,1044 -0.587,1045 12.508,1046 -0.567,1047 7.866,1048 10.068,1050 15.263,1051 7.643,1052 11.64,1053 -0.628,1054 14.335,1055 -1.499,1056 8.753,1057 11.297,1059 17.489,1060 8.507,1061 13.11,1062 -0.897,1063 16.182,1064 -1.644,1065 10.025,1066 12.962,1068 20.015,1069 9.741,1070 3.305,1071 -1.103,1072 18.045,1073 -2.511,1074 11.076,1075 14.364,1077 22.384,1078 10.765,1079 2.92,1080 11.875,1081 19.919,1082 -3.011,1083 12.279,1084 15.945,1086 24.864,1087 11.934,1088 2.405,1089 9.32,1090 21.803,1091 4.724,1092 13.402,1093 17.423,1095 27.291,1096 13.026,1097 2.26,1098 7.995,1099 23.695,1100 4.351,1101 14.584,1102 18.973,1104 29.76,1105 14.175,1106 1.552,1107 6.774,1108 25.593,1109 3.278,1110 15.739,1111 20.483,1113 32.212,1114 15.297,1115 1.533,1116 4.386,1117 27.498,1118 3.086,1119 16.917,1120 22.023,1122 34.681,1123 16.442,1124 1.302,1125 4.058,1126 29.407,1127 2.327,1128 18.087,1129 23.548,1131 37.144,1132 17.579,1133 3492,1134 5974,1135 15.72,1136 21.563,1137 35.938,1138 35.416,1139 36.61,1140 35.548,1141 35.541,1142 51.024,1144 107.89,1145 33.806,1146 5.41,1147 5.329,1148 6.515,1149 5.345,1150 5.305,1151 7.724,1153 19.209,1154 5.171,1155 7.321,1156 1.563,1157 1.54,1158 1.592,1159 1.546,1160 1.545,1161 2.218,1163 4.691,1164 1.47,1165 4.159,1166 4.204,1167 4.136,1168 4.032,1169 5.263,1170 4.051,1171 4.007,1172 4.06,1173 3.977,1174 3.844,1175 5.058,1176 3.873,1177 3.424,1178 3.505,1179 3.36,1180 3.257,1181 4.857,1182 3.27,1183 3.347,1184 3.424,1185 3.241,1186 3.08,1187 4.519,1188 3.108,1189 2.977,1190 3.084,1191 2.874,1192 2.746,1193 4.3,1194 2.764,1195 2.888,1196 2.993,1197 2.75,1198 2.62,1199 3.906,1200 2.643,1201 2.822,1202 2.911,1203 2.62,1204 2.553,1205 3.682,1206 2.563,1207 2.381,1208 2.457,1209 2.257,1210 2.254,1211 3.597,1212 2.244,1213 0.206,1214 0.145,1215 0.304,1216 0.186,1217 0.144,1218 4.741,1219 0.205,1220 3.329,1222 6.987,1223 0.516,1224 4.272,1225 0.139,1226 3.305,1227 4.724,1229 11.875,1230 3.196,1231 1.923,1232 1.898,1233 1.976,1234 2.04,1235 1.112,1236 2.02,1237 1.769,1238 1.724,1239 1.841,1240 1.972,1241 0.914,1242 1.938,1243 1.465,1244 1.397,1245 1.644,1246 1.73,1247 0.682,1248 1.703,1249 1.421,1250 1.337,1251 1.631,1252 1.674,1253 0.604,1254 1.67,1255 1.088,1256 1.025,1257 1.248,1258 1.268,1259 0.312,1260 1.273,1261 0.851,1262 0.75,1263 1.168,1264 1.241,1265 0.017,1266 1.232,1267 0.707,1268 0.615,1269 0.953,1270 0.966,1272 0.967,1273 0.58,1274 0.487,1275 0.85,1276 0.877,1278 0.88,1279 3.85,1281 5.209,1282 3.045,1283 6.767,1284 5.416,1285 8.418,1286 7.535,1287 10.118,1289 1.834,1293 5.969,1305 21.203,1306 47.769,1307 121.706,1308 144.825,1309 146.825,1310 146.825,1311 146.825,1312 20.451,1313 7.193,1314 98.3,1315 98.3,1316 22,1317 12.56,1318 4.392,1319 3.459,1320 26.049,1321 53,1322 46,1323 0.247,1324 130.038,1325 196.3,1326 309.053,1327 11666,1329 13.69,1330 0.684,1331 0.535,1332 13.69,1333 10.7,1334 9.737,1335 0.423,1336 0.265,1337 5.986,1338 9.27,1339 5.854,1340 4.859,1341 9.737,1342 6.105,1343 9.05,1344 0.266,1345 0.134,1346 9.05,1347 4.569,1348 8.153,1349 0.166,1350 0.068,1351 8.153,1352 3.323,1353 7.281,1354 0.106,1355 0.035,1356 7.281,1357 2.381,1358 5.802,1359 0.068,1360 0.018,1361 5.802,1362 1.511,1363 0.368,1364 61.596,1365 0.252,1366 19.327,1367 0.74,1368 114,1369 329.871,1370 126.267,1371 327.606,1372 466.63,1373 308,1374 140,1375 369.025,1376 153.794,1377 374.659,1378 551.88,1379 352,1380 7.041}
{0 CHEMBL1240566,1 1.505,2 7.2,3 1.993,4 3.973,5 78.483,6 8.26,7 0.87,8 3.63,9 3.764,10 3.299,11 3.169,12 4.822,13 3.183,14 4.099,15 4.268,16 3.684,17 3.573,18 5.248,19 3.576,20 4.232,21 4.411,22 3.681,23 3.644,24 5.356,25 3.621,26 4.289,27 4.495,28 3.603,29 3.604,30 5.42,31 3.554,32 4.219,33 4.454,34 3.385,35 3.46,36 5.251,37 3.393,38 4.122,39 4.358,40 3.269,41 3.33,42 5.209,43 3.27,44 4.054,45 4.336,46 3.062,47 3.174,48 5.002,49 3.072,50 3.726,51 3.999,52 2.66,53 2.816,54 4.732,55 2.722,56 0.071,57 0.57,58 5.457,59 2.254,60 7.661,61 2.804,62 0.17,63 0.883,64 9.976,65 3.803,66 13.032,67 4.913,68 0.14,69 0.97,70 11.632,71 4.486,72 14.029,73 5.888,74 0.243,75 0.987,76 13.241,77 4.891,78 22.586,79 6.559,80 0.198,81 0.867,82 13.616,83 4.539,84 18.288,85 6.292,86 0.211,87 0.79,88 12.291,89 3.718,90 24.411,91 5.108,92 0.218,93 0.675,94 13.413,95 4.352,96 20.861,97 6.386,98 0.148,99 0.488,100 9.23,101 2.606,102 14.435,103 3.76,104 5,105 34,106 0.274,107 0.7,108 0.826,109 0.872,110 0.872,111 0.872,112 3.06,113 0.815,114 -3.78,115 -3.74,116 -3.55,119 43.8,124 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 5,177 1,178 1,180 4,183 6,185 1,186 1,187 3,192 2,195 6,198 2,199 5,201 3,202 3,204 2,207 2,209 1,212 6,215 1,217 3,220 1,222 2,224 4,227 1,229 1,232 1,234 1,237 3,240 2,241 1,242 1,244 1,247 1,250 2,255 1,260 1,275 442,276 13.723,277 13.723,278 13.723,279 13.723,280 13.723,281 11.402,282 6.325,283 7.872,284 14.023,285 11.354,286 11.354,287 11.354,288 11.354,289 11.354,290 7.876,291 5,292 3.711,293 11.838,294 3.495,295 1.157,296 0.461,297 0.211,298 0.211,299 0.211,300 3.758,303 1,304 1,305 1,306 324,307 2,310 71.894,311 83.16,314 129.521,318 1.02,319 13.424,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 43,331 144,332 4.741,333 3.329,334 6.987,335 4.273,336 3.305,337 4.724,339 11.875,340 3.199,341 4.41,342 2.924,343 6.221,344 3.899,345 2.92,346 4.351,348 9.32,349 2.858,350 3.794,351 2.419,352 5.876,353 3.375,354 2.405,355 3.278,357 7.995,358 2.331,359 3.648,360 2.372,361 5.501,362 3.194,363 2.26,364 3.086,366 6.774,367 2.107,368 3.051,369 1.554,370 4.519,371 2.509,372 1.552,373 2.327,375 4.386,376 1.494,377 3.033,378 1.533,379 4.335,380 2.495,381 1.533,382 2.3,384 4.058,385 1.46,386 2.712,387 1.407,388 4.324,389 2.246,390 1.302,391 1.801,393 3.66,394 1.226,395 2.624,396 1.154,397 3.643,398 2.101,399 1.149,400 1.68,402 2.624,403 1.091,404 2.411,405 0.959,406 3.428,407 1.89,408 0.943,409 1.371,411 2.263,412 0.89,413 1.892,414 0.404,415 3.036,416 1.37,417 0.4,418 0.595,420 0.991,421 0.388,422 1.094,423 -0.081,424 2.652,425 0.674,426 -0.241,427 -0.303,428 -0.567,429 -0.22,430 0.847,431 -0.48,432 2.44,433 0.393,434 -0.587,435 -0.764,436 -1.499,437 -0.571,438 0.73,439 -0.591,440 2.277,441 0.288,442 -0.628,443 -0.845,445 -1.644,446 -0.577,447 0.582,448 -0.893,449 2.217,450 0.087,451 -0.897,452 -1.327,454 -2.511,455 -0.88,456 0.303,457 -1.07,458 1.945,459 -0.128,460 -1.103,461 -1.585,463 -3.011,464 -1.073,465 9.4,466 0.47,467 0.521,468 0.026,469 30.5,470 1.525,471 16.5,472 0.825,473 14,474 0.7,475 11.691,476 0.585,477 20,478 0.625,479 19.725,480 0.986,481 6.069,482 0.303,483 3.668,484 0.183,485 0.096,487 0.415,493 0.99,494 1.197,495 0.706,496 0.886,497 1.124,498 0.773,499 0.902,500 0.948,501 0.698,502 0.76,503 0.648,504 0.706,505 1.003,506 1.211,507 0.922,508 1.072,509 0.892,510 1,511 0.847,512 1.027,513 1.058,514 1.144,515 0.934,516 1.139,517 1.115,518 1.076,519 1.101,520 1.078,521 0.87,522 1.085,523 1.389,524 1.07,525 1.237,526 1.049,527 1.699,528 1.103,529 0.713,530 0.802,531 0.884,532 0.917,533 0.814,534 0.928,535 1.411,536 1.02,537 1.243,538 1.011,539 1.103,540 1.081,541 3.5,543 2.667,544 1.861,545 1.352,546 0.469,547 0.363,548 0.273,549 0.096,550 0.007,551 3729,552 9903,553 2.195,554 37.5,556 7,557 1,558 1,559 3,564 1.622,565 2.069,566 2.87,567 1.152,569 1,571 1,573 48.168,574 1.505,575 3.843,576 4.539,577 4.789,578 4.789,579 4.789,580 2.228,581 4.222,582 4.299,583 2.97,584 564.211,585 7.361,586 5528.44,587 1,588 1,590 1,591 160,592 1.361,593 4.262,594 0.152,596 0.078,597 0.056,598 0.047,599 0.02,600 0.018,601 0.017,602 0.01,603 0.003,604 0.402,605 0.67,606 1,607 0.548,608 86.048,609 -0.066,610 -0.056,611 0.042,612 0.033,613 -0.241,614 0.052,615 0.058,616 0.147,617 0.127,618 0.175,619 0.111,620 0.165,621 -0.102,622 -0.166,623 -0.074,624 -0.12,625 -0.041,626 -0.097,627 0.134,628 -0.01,629 -0.149,630 -0.201,631 0.058,632 -0.22,633 -0.136,634 -0.119,635 -0.122,636 -0.113,637 0.035,638 -0.115,639 -0.277,640 -0.081,641 -0.255,642 -0.129,643 -0.422,644 -0.176,645 0.241,646 0.054,647 0.22,648 0.1,649 0.161,650 0.145,651 -0.297,652 -0.112,653 -0.163,654 -0.061,655 -0.009,656 -0.083,657 1.218,658 1.988,659 0.9,660 11.81,661 1.008,662 1.132,663 2.545,664 6.477,665 0.697,666 3.178,667 3.555,668 3.912,669 4.248,670 4.454,671 4.543,672 4.691,673 4.852,674 4.852,675 4.852,676 4.473,677 0.678,678 264.32,679 3.178,680 4.745,681 5.638,682 6.553,683 7.462,684 8.38,685 9.295,686 10.214,687 11.131,688 12.051,689 18.8,693 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,722 1,731 32,733 20,734 1,735 23,737 35,738 14,739 13,740 3,741 3,746 4,747 6,761 13,762 1,777 1,778 1,781 12,782 4,783 3,784 6,790 6,794 0.5,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 1,848 20,849 1,877 9.667,878 6.133,879 4.25,880 1.754,881 4.064,882 1.565,883 1.093,884 2.317,885 11.257,886 3.526,887 4.27,888 5.007,889 5.712,890 6.259,891 6.689,892 7.201,893 7.727,894 8.026,895 8.429,896 0.8,897 33,898 7.314,900 3.177,901 7.658,902 13.944,904 11.677,905 2.158,906 43.167,907 0.001,910 105.94,911 81.243,912 101.693,917 81.243,918 105.94,919 101.693,920 8.396,922 79.85,923 63.72,924 38.269,925 16.243,926 82.398,928 105.94,929 182.936,933 105.94,937 31.653,938 101.05,939 50.234,941 105.94,942 101.693,943 81.243,946 105.94,947 17.276,948 65.744,949 16.786,950 83.131,951 105.94,952 101.693,953 81.243,955 0.595,956 0.367,957 0.211,958 0.11,959 20,960 8,961 0.029,962 1,963 2,964 1.222,965 3.23,966 165.766,967 0.222,968 18,969 86.439,974 11.438,975 4.051,976 1.639,977 3.759,978 83.131,979 11.558,980 12.839,981 3.202,984 2.244,985 1.724,986 49.683,987 288.876,988 33,999 32.262,1000 36.235,1001 0.301,1002 0.769,1003 0.908,1004 0.958,1005 0.958,1006 0.958,1007 4.762,1008 1.149,1009 5.645,1010 3.66,1011 4.234,1012 4.956,1014 6.526,1015 4.158,1016 6.025,1017 0.943,1018 7.245,1019 2.624,1020 3.892,1021 4.913,1023 7.548,1024 3.793,1025 7.372,1026 0.4,1027 8.946,1028 2.263,1029 5.889,1030 7.353,1032 10.706,1033 5.753,1034 8.764,1035 -0.241,1036 10.708,1037 0.991,1038 6.399,1039 8.187,1041 12.587,1042 6.24,1043 10.189,1044 -0.587,1045 12.508,1046 -0.567,1047 7.866,1048 10.068,1050 15.263,1051 7.676,1052 11.64,1053 -0.628,1054 14.335,1055 -1.499,1056 8.753,1057 11.297,1059 17.489,1060 8.537,1061 13.11,1062 -0.897,1063 16.182,1064 -1.644,1065 10.025,1066 12.962,1068 20.015,1069 9.779,1070 3.305,1071 -1.103,1072 18.045,1073 -2.511,1074 11.076,1075 14.364,1077 22.384,1078 10.801,1079 2.92,1080 11.875,1081 19.919,1082 -3.011,1083 12.279,1084 15.945,1086 24.864,1087 11.974,1088 2.405,1089 9.32,1090 21.803,1091 4.724,1092 13.402,1093 17.423,1095 27.291,1096 13.065,1097 2.26,1098 7.995,1099 23.695,1100 4.351,1101 14.584,1102 18.973,1104 29.76,1105 14.216,1106 1.552,1107 6.774,1108 25.593,1109 3.278,1110 15.739,1111 20.483,1113 32.212,1114 15.338,1115 1.533,1116 4.386,1117 27.498,1118 3.086,1119 16.917,1120 22.023,1122 34.681,1123 16.484,1124 1.302,1125 4.058,1126 29.407,1127 2.327,1128 18.087,1129 23.548,1131 37.144,1132 17.62,1133 3492,1134 5801,1135 15.72,1136 22.318,1137 35.938,1138 35.416,1139 36.61,1140 35.573,1141 35.541,1142 51.024,1144 107.89,1145 34.09,1146 5.41,1147 5.329,1148 6.515,1149 5.345,1150 5.305,1151 7.724,1153 19.209,1154 5.199,1155 7.321,1156 1.563,1157 1.54,1158 1.592,1159 1.547,1160 1.545,1161 2.218,1163 4.691,1164 1.482,1165 4.169,1166 4.209,1167 4.142,1168 4.068,1169 5.26,1170 4.079,1171 4.015,1172 4.064,1173 3.983,1174 3.859,1175 4.983,1176 3.887,1177 3.429,1178 3.506,1179 3.362,1180 3.28,1181 4.852,1182 3.288,1183 3.355,1184 3.433,1185 3.247,1186 3.083,1187 4.517,1188 3.113,1189 3.018,1190 3.101,1191 2.91,1192 2.854,1193 4.227,1194 2.855,1195 2.932,1196 3.045,1197 2.784,1198 2.71,1199 3.81,1200 2.718,1201 2.828,1202 2.912,1203 2.614,1204 2.556,1205 3.65,1206 2.567,1207 2.394,1208 2.472,1209 2.262,1210 2.264,1211 3.592,1212 2.254,1213 0.206,1214 0.145,1215 0.304,1216 0.186,1217 0.144,1218 4.741,1219 0.205,1220 3.329,1222 6.987,1223 0.516,1224 4.273,1225 0.139,1226 3.305,1227 4.724,1229 11.875,1230 3.199,1231 1.966,1232 1.946,1233 2.035,1234 2.049,1235 1.189,1236 2.042,1237 1.785,1238 1.742,1239 1.852,1240 1.978,1241 0.936,1242 1.947,1243 1.49,1244 1.431,1245 1.667,1246 1.715,1247 0.703,1248 1.693,1249 1.418,1250 1.332,1251 1.633,1252 1.694,1253 0.636,1254 1.69,1255 1.086,1256 1.022,1257 1.247,1258 1.273,1259 0.31,1260 1.276,1261 0.871,1262 0.796,1263 1.17,1264 1.242,1265 0.15,1266 1.233,1267 0.802,1268 0.696,1269 1.099,1270 1.017,1272 1.05,1273 0.628,1274 0.552,1275 0.879,1276 0.877,1278 0.88,1279 3.85,1281 5.209,1282 3.045,1283 6.767,1284 5.416,1285 8.418,1286 7.535,1287 10.118,1289 1.853,1293 5.988,1305 21.709,1306 48.168,1307 122.98,1308 145.245,1309 153.245,1310 153.245,1311 153.245,1312 20.184,1313 7.193,1314 85.41,1315 85.41,1316 22,1317 12.56,1318 4.392,1319 3.459,1320 26.049,1321 53,1322 46,1323 0.247,1324 132.836,1325 202.6,1326 315.88,1327 11666,1329 13.69,1330 0.684,1331 0.542,1332 13.69,1333 10.83,1334 9.737,1335 0.423,1336 0.272,1337 6.142,1338 9.334,1339 5.995,1340 4.979,1341 9.737,1342 6.245,1343 9.05,1344 0.266,1345 0.139,1346 9.05,1347 4.709,1348 8.153,1349 0.166,1350 0.071,1351 8.153,1352 3.478,1353 7.281,1354 0.106,1355 0.036,1356 7.281,1357 2.507,1358 5.802,1359 0.068,1360 0.019,1361 5.802,1362 1.623,1363 0.368,1364 61.142,1365 0.252,1366 19.327,1367 0.74,1368 114,1369 310.226,1370 124.491,1371 310.36,1372 444.23,1373 292,1374 140,1375 352.561,1376 151.796,1377 359.167,1378 529.07,1379 338,1380 5.745}
{0 CHEMBL1240567,1 1.766,2 7.158,3 1.262,4 1.593,5 68.267,6 9.116,7 0.727,8 3.547,9 3.65,10 3.283,11 3.024,12 4.798,13 3.087,14 4.024,15 4.142,16 3.664,17 3.412,18 5.286,19 3.466,20 4.066,21 4.206,22 3.608,23 3.447,24 5.268,25 3.468,26 4.106,27 4.276,28 3.518,29 3.378,30 5.339,31 3.378,32 4.064,33 4.298,34 3.232,35 3.207,36 5.141,37 3.173,38 3.821,39 4.026,40 3.182,41 2.978,42 4.995,43 2.996,44 3.688,45 3.885,46 3.001,47 2.761,48 4.898,49 2.776,50 3.412,51 3.616,52 2.557,53 2.357,54 4.585,55 2.35,56 0.149,57 0.485,58 3.787,59 2.019,60 9.908,61 1.909,62 0.412,63 0.731,64 7.84,65 3.454,66 22.292,67 3.275,68 0.275,69 0.782,70 7.673,71 3.734,72 15.374,73 3.97,74 0.357,75 0.786,76 8.904,77 3.868,78 23.975,79 4.268,80 0.381,81 0.683,82 11.57,83 3.575,84 25.512,85 4.599,86 0.308,87 0.534,88 8.404,89 2.691,90 20.603,91 3.368,92 0.35,93 0.423,94 7.664,95 2.406,96 22.813,97 2.97,98 0.303,99 0.288,100 6.35,101 1.906,102 19.273,103 2.292,104 2,105 32,106 0.334,107 0.737,108 0.823,109 0.869,110 0.883,111 0.883,112 3.013,113 0.774,114 -3.5,115 -3.48,116 -3.32,119 42.9,126 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 3,174 2,175 6,177 1,178 2,180 2,183 3,185 1,186 1,187 6,192 1,195 3,198 1,199 5,201 2,202 3,203 1,204 3,206 1,207 1,209 1,211 1,212 5,217 3,222 2,223 1,224 3,227 1,229 1,234 1,236 2,239 1,240 2,249 2,252 1,253 1,275 376,276 13.223,277 13.223,278 13.223,279 13.223,280 13.223,281 11.36,282 9.763,283 7.654,284 13.59,285 10.87,286 10.87,287 10.87,288 10.87,289 10.87,290 8.019,291 10.34,292 3.606,293 11.448,294 3.041,295 0.911,296 0.456,297 0.214,298 0.143,299 0.143,300 3.713,304 1,305 1,306 309,307 1.871,310 67.304,311 78.244,314 121.508,318 1.025,319 18.396,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42.5,331 136,332 4.672,333 3.336,334 6.888,335 4.211,336 3.239,337 4.629,338 1.392,339 11.505,340 3.148,341 4.269,342 3.201,343 6.206,344 3.855,345 2.906,346 3.919,347 0.532,348 9.273,349 2.751,350 3.73,351 2.483,352 5.773,353 3.345,354 2.387,355 3.132,357 7.73,358 2.28,359 3.421,360 2.068,361 5.034,362 2.918,363 1.993,364 2.808,366 5.677,367 1.842,368 3.019,369 1.992,370 4.495,371 2.498,372 1.551,373 2.262,375 4.352,376 1.466,377 2.885,378 1.807,379 4.325,380 2.47,381 1.533,382 2.023,384 4.016,385 1.427,386 2.566,387 1.471,388 3.818,389 2.118,390 1.153,391 1.597,393 2.744,394 1.111,395 2.237,396 1.072,397 3.438,398 1.969,399 1,400 1.187,402 2.353,403 0.967,404 2.131,405 0.824,406 3.31,407 1.696,408 0.739,409 1.022,411 1.797,412 0.705,413 1.628,414 0.69,415 3.029,416 1.323,417 0.392,418 0.47,420 0.975,421 0.362,422 1.045,423 -0.172,424 2.568,425 0.603,426 -0.312,427 -0.4,428 -0.721,429 -0.285,430 0.78,431 -0.41,432 2.365,433 0.376,434 -0.59,435 -0.772,436 -1.596,437 -0.568,438 0.561,439 -0.585,440 2.155,441 0.095,442 -0.883,443 -1.18,445 -2.506,446 -0.852,447 0.401,448 -0.856,449 2,450 -0.034,451 -1,452 -1.373,454 -2.542,455 -0.964,456 0.063,457 -1.158,458 1.84,459 -0.365,460 -1.286,461 -1.707,463 -3.312,464 -1.189,465 8.667,466 0.456,467 0.432,468 0.023,469 29.25,470 1.539,471 15.5,472 0.816,473 13.75,474 0.724,475 10.354,476 0.545,477 19.533,478 0.698,479 18.114,480 0.953,481 5.886,482 0.31,483 3.441,484 0.181,485 0.046,487 0.404,493 0.982,494 1.144,495 0.636,496 0.945,497 1.092,498 0.731,499 1.107,500 0.854,501 0.772,502 0.751,503 0.9,504 0.694,505 0.923,506 1.299,507 0.896,508 1.178,509 0.844,510 1.066,511 0.872,512 1.079,513 1.088,514 1.203,515 0.903,516 1.22,517 0.893,518 0.976,519 1.121,520 0.957,521 0.953,522 1.044,523 0.896,524 1.084,525 0.923,526 1.006,527 1.101,528 0.96,529 0.935,530 0.904,531 1.02,532 1.013,533 1.019,534 1.04,535 1.233,536 0.956,537 1.248,538 1.113,539 0.993,540 1.207,541 3,543 2.444,544 1.319,545 1.072,546 0.326,547 0.302,548 0.183,549 0.065,550 0.007,551 3372,552 10653,553 2.239,554 32.1,556 3,557 2,558 1,559 3,564 1.605,565 2.151,566 2.879,567 1.251,569 1,571 1,573 49.447,574 1.766,575 3.896,576 4.352,577 4.593,578 4.664,579 4.664,580 2.249,581 4.143,582 4.225,583 2.958,584 505.855,585 7.203,586 4775.62,587 1,588 1,591 134.606,592 1.211,593 4.203,594 0.136,596 0.076,597 0.044,598 0.041,599 0.017,600 0.017,601 0.013,602 0.008,603 0.003,604 0.356,605 0.67,606 1,607 0.447,608 80.364,609 -0.153,610 -0.02,611 0.027,612 -0.007,613 -0.26,614 0.059,615 -0.031,616 0.192,617 0.015,618 0.209,619 -0.028,620 0.142,621 -0.137,622 -0.261,623 -0.114,624 -0.208,625 -0.062,626 -0.171,627 -0.034,628 -0.057,629 -0.221,630 -0.264,631 0.015,632 -0.309,633 -0.098,634 -0.04,635 -0.055,636 0.005,637 -0.056,638 0.008,639 0.038,640 -0.133,641 0.104,642 -0.062,643 -0.061,644 0.031,645 0.245,646 -0.005,647 0.07,648 -0.061,649 0.12,650 -0.05,651 0.153,652 -0.147,653 -0.053,654 -0.138,655 0.23,656 -0.173,657 1.272,658 1.885,659 0.947,660 10.598,661 1.033,662 1.134,663 2.27,664 5.153,665 0.695,666 3.135,667 3.497,668 3.85,669 4.174,670 4.344,671 4.443,672 4.595,673 4.762,674 4.727,675 4.745,676 4.406,677 0.7,678 255.26,679 3.135,680 4.691,681 5.58,682 6.485,683 7.386,684 8.295,685 9.2,686 10.11,687 11.018,688 11.929,689 17.9,693 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,722 1,729 2,731 28,733 16,734 1,735 22,737 31,738 12,739 11,740 3,741 3,746 4,747 6,761 11,762 1,778 1,781 9,782 6,783 3,784 7,790 5,794 0.5,795 2,803 1,806 1,811 2,812 2,815 2,840 2,848 19,849 1,854 1,856 2,870 7.1,875 2,877 8.833,878 5.1,879 4.056,880 1.486,881 3.257,882 1.459,883 1.077,884 2.209,885 10.357,886 3.434,887 4.123,888 4.821,889 5.49,890 6.025,891 6.406,892 6.867,893 7.342,894 7.58,895 7.9,896 0.8,897 30,898 6.939,900 3.042,901 7.798,902 13.001,904 10.792,905 2.298,906 43.667,907 0.001,910 70.627,911 66.743,912 99.794,914 22,917 66.743,918 92.626,919 99.794,921 6.65,922 61.326,923 63.72,924 66.284,925 25.87,926 35.313,928 70.627,929 166.537,930 22,933 70.627,934 22,937 36.404,938 79.899,939 50.234,941 70.627,942 121.794,943 66.743,946 70.627,947 29.696,948 37.047,949 16.663,950 105.131,951 70.627,952 121.794,953 66.743,955 0.59,956 0.363,957 0.208,958 0.103,959 19,960 7,961 0.032,962 1,963 2,964 1.222,965 3.197,966 153.062,967 0.222,968 18,969 80.711,974 10.726,975 3.913,976 1.576,977 1.321,978 105.131,979 7.011,980 12.332,981 2.842,984 3.395,986 49.56,987 259.164,988 30,999 28.931,1000 31.741,1001 0.367,1002 0.81,1003 0.905,1004 0.955,1005 0.97,1006 0.97,1007 4.673,1008 1,1009 5.572,1010 2.744,1011 4.174,1012 4.808,1013 1.693,1014 6.435,1015 4.079,1016 5.905,1017 0.739,1018 7.157,1019 2.353,1020 3.761,1021 4.691,1023 7.427,1024 3.63,1025 7.238,1026 0.392,1027 8.845,1028 1.797,1029 5.808,1030 7.131,1031 2.158,1032 10.574,1033 5.635,1034 8.614,1035 -0.312,1036 10.595,1037 0.975,1038 6.275,1039 7.902,1041 12.434,1042 6.071,1043 10.026,1044 -0.59,1045 12.386,1046 -0.721,1047 7.76,1048 9.782,1049 2.745,1050 15.087,1051 7.523,1052 11.463,1053 -0.883,1054 14.205,1055 -1.596,1056 8.616,1057 10.955,1059 17.286,1060 8.349,1061 12.92,1062 -1,1063 16.044,1064 -2.506,1065 9.889,1066 12.616,1067 3.372,1068 19.784,1069 9.593,1070 3.239,1071 -1.286,1072 17.899,1073 -2.542,1074 10.915,1075 13.978,1077 22.12,1078 10.59,1079 2.906,1080 11.505,1081 19.764,1082 -3.312,1083 12.109,1084 15.551,1085 4.015,1086 24.57,1087 11.757,1088 2.387,1089 9.273,1090 21.639,1091 4.629,1092 13.209,1093 16.999,1095 26.963,1096 12.828,1097 1.993,1098 7.73,1099 23.522,1100 3.919,1101 14.376,1102 18.539,1103 4.667,1104 29.4,1105 13.969,1106 1.551,1107 5.677,1108 25.41,1109 3.132,1110 15.508,1111 20.028,1113 31.817,1114 15.074,1115 1.533,1116 4.352,1117 27.304,1118 2.808,1119 16.668,1120 21.556,1121 5.323,1122 34.253,1123 16.208,1124 1.153,1125 4.016,1126 29.202,1127 2.262,1128 17.816,1129 23.064,1131 36.682,1132 17.329,1133 3126,1134 5665,1135 15.315,1136 19.46,1137 33.846,1138 34.398,1139 34.447,1140 33.808,1141 33.787,1142 46.098,1143 3.846,1144 100.844,1145 32.114,1146 5.494,1147 5.336,1148 6.432,1149 5.284,1150 5.239,1151 7.629,1152 2.783,1153 18.721,1154 5.148,1155 5.008,1156 1.538,1157 1.564,1158 1.566,1159 1.537,1160 1.536,1161 2.095,1162 0.175,1163 4.584,1164 1.46,1165 4.113,1166 4.157,1167 4.093,1168 3.979,1169 5.28,1170 4.001,1171 3.878,1172 3.895,1173 3.84,1174 3.731,1175 5.006,1176 3.755,1177 3.351,1178 3.419,1179 3.287,1180 3.085,1181 4.894,1182 3.128,1183 3.215,1184 3.282,1185 3.115,1186 2.903,1187 4.532,1188 2.945,1189 2.992,1190 3.092,1191 2.878,1192 2.743,1193 4.265,1194 2.765,1195 2.834,1196 2.895,1197 2.707,1198 2.654,1199 3.971,1200 2.663,1201 2.568,1202 2.653,1203 2.404,1204 2.402,1205 3.686,1206 2.391,1207 2.301,1208 2.403,1209 2.098,1210 1.966,1211 3.357,1212 1.983,1213 0.212,1214 0.152,1215 0.313,1216 0.191,1217 0.147,1218 4.672,1219 0.21,1220 3.336,1221 0.063,1222 6.888,1223 0.523,1224 4.211,1225 0.143,1226 3.239,1227 4.629,1228 1.392,1229 11.505,1230 3.148,1231 1.914,1232 1.896,1233 1.977,1234 2.019,1235 1.121,1236 2.001,1237 1.745,1238 1.705,1239 1.809,1240 1.924,1241 0.854,1242 1.899,1243 1.25,1244 1.183,1245 1.44,1246 1.586,1247 0.579,1248 1.53,1249 1.152,1250 1.113,1251 1.351,1252 1.517,1253 0.28,1254 1.481,1255 0.909,1256 0.838,1257 1.135,1258 1.216,1259 0.147,1260 1.2,1261 0.794,1262 0.736,1263 1.088,1264 1.114,1265 0.038,1266 1.105,1267 0.79,1268 0.68,1269 1.047,1270 0.988,1272 1.018,1273 0.513,1274 0.445,1275 0.744,1276 0.734,1278 0.738,1279 3.807,1281 5.153,1282 3.045,1283 6.701,1284 5.352,1285 8.342,1286 7.424,1287 10.032,1293 5.885,1295 0.241,1297 10.639,1305 19.59,1306 49.447,1307 109.096,1308 121.851,1309 128.606,1310 130.606,1311 130.606,1312 19.009,1313 7.1,1314 98.94,1315 98.94,1316 22,1317 12.444,1318 4.087,1319 3.17,1320 24.332,1321 50,1322 41,1323 0.246,1324 117.777,1325 188.12,1326 279.136,1327 10598,1329 12.82,1330 0.675,1331 0.513,1332 12.82,1333 9.752,1334 9.326,1335 0.424,1336 0.258,1337 5.534,1338 8.778,1339 5.473,1340 4.497,1341 9.326,1342 5.673,1343 8.511,1344 0.266,1345 0.129,1346 8.511,1347 4.123,1348 7.737,1349 0.168,1350 0.066,1351 7.737,1352 3.033,1353 6.937,1354 0.108,1355 0.033,1356 6.937,1357 2.135,1358 5.276,1359 0.069,1360 0.017,1361 5.276,1362 1.319,1363 0.368,1364 59.881,1365 0.256,1366 18.534,1367 0.73,1368 108,1369 362.052,1370 123.383,1371 343.518,1372 480.81,1373 324,1374 132,1375 369.135,1376 148.19,1377 370.198,1378 548.15,1379 347,1380 5.31}
{0 CHEMBL1240594,1 1.633,2 7.2,3 2.853,4 8.14,5 82.559,6 9.076,7 0.87,8 3.596,9 3.709,10 3.401,11 3.242,12 4.782,13 3.21,14 4.062,15 4.211,16 3.824,17 3.656,18 5.206,19 3.604,20 4.174,21 4.327,22 3.833,23 3.704,24 5.298,25 3.63,26 4.207,27 4.385,28 3.765,29 3.652,30 5.342,31 3.555,32 4.098,33 4.295,34 3.592,35 3.485,36 5.149,37 3.384,38 4.017,39 4.22,40 3.32,41 3.373,42 5.095,43 3.267,44 3.919,45 4.166,46 3.022,47 3.179,48 4.871,49 3.076,50 3.652,51 3.88,52 2.661,53 2.871,54 4.754,55 2.77,56 0.059,57 0.533,58 4.651,59 2.454,60 6.913,61 2.667,62 0.157,63 0.853,64 9.506,65 4.308,66 12.233,67 4.734,68 0.133,69 0.946,70 12.979,71 5.246,72 12.383,73 5.555,74 0.231,75 0.983,76 14.029,77 5.494,78 19.191,79 5.974,80 0.16,81 0.852,82 13.52,83 4.76,84 13.515,85 5.332,86 0.169,87 0.781,88 15.409,89 4.963,90 19.034,91 4.87,92 0.111,93 0.633,94 11.584,95 4.377,96 12.248,97 5.617,98 0.101,99 0.5,100 6.452,101 2.592,102 13.516,103 3.163,104 5,105 34,106 0.299,107 0.684,108 0.787,109 0.856,110 0.868,111 0.868,112 3.06,113 0.91,114 -4.81,115 -4.73,116 -4.44,119 45.2,124 1,142 5,143 2,146 1,147 1,148 1,152 2,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 4,177 1,178 1,180 1,183 8,185 1,186 1,187 2,195 8,198 2,199 3,201 3,202 3,207 3,212 7,217 2,220 2,222 2,224 6,229 1,232 2,234 1,237 6,242 2,247 2,250 4,255 2,260 2,275 442,276 13.723,277 13.723,278 13.723,279 13.723,280 13.723,281 11.402,282 6.325,283 7.929,284 14.125,285 11.371,286 11.371,287 11.371,288 11.371,289 11.371,290 7.884,291 5,292 3.765,293 12.067,294 3.321,295 1.222,296 0.657,297 0.282,298 0.218,299 0.218,300 3.758,303 1,304 1,305 1,306 323,307 2,310 65.168,311 88.137,314 128.965,318 1.02,319 12.613,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42.5,331 144,332 4.75,333 3.337,334 6.99,335 4.271,336 3.315,337 4.735,339 11.891,340 3.168,341 4.431,342 2.953,343 6.284,344 3.887,345 2.945,346 4.374,348 9.561,349 2.775,350 3.695,351 2.376,352 5.805,353 3.249,354 2.305,355 3.144,357 7.706,358 2.161,359 3.646,360 2.312,361 5.486,362 3.192,363 2.258,364 3.081,366 6.739,367 2.105,368 3.053,369 1.555,370 4.419,371 2.52,372 1.553,373 2.329,375 4.312,376 1.506,377 3.032,378 1.532,379 4.414,380 2.461,381 1.532,382 2.298,384 4.024,385 1.4,386 2.806,387 1.423,388 4.327,389 2.288,390 1.342,391 1.95,393 3.655,394 1.26,395 2.712,396 1.307,397 3.654,398 2.232,399 1.284,400 1.798,402 2.941,403 1.212,404 2.358,405 0.925,406 3.558,407 1.814,408 0.899,409 1.297,411 2.329,412 0.814,413 1.847,414 0.347,415 3,416 1.265,417 0.347,418 0.521,420 0.86,421 0.312,422 1.094,423 -0.082,424 2.614,425 0.671,426 -0.242,427 -0.304,428 -0.569,429 -0.22,430 0.79,431 -0.489,432 2.435,433 0.29,434 -0.628,435 -0.8,436 -1.509,437 -0.573,438 0.715,439 -0.672,440 2.277,441 0.278,442 -0.68,443 -0.931,445 -1.805,446 -0.646,447 0.5,448 -0.93,449 2,450 0.028,451 -0.953,452 -1.355,454 -2.625,455 -0.894,456 0.418,457 -1,458 2,459 -0.055,460 -1,461 -1.5,463 -2.68,464 -0.958,465 9.833,466 0.492,467 0.521,468 0.026,469 30,470 1.5,471 16.5,472 0.825,473 13.5,474 0.675,475 12.965,476 0.648,477 19.567,478 0.631,479 18.42,480 0.921,481 5.741,482 0.287,483 3.996,484 0.2,485 0.092,487 0.397,493 0.892,494 1.02,495 0.672,496 0.75,497 1.108,498 0.722,499 0.858,500 0.774,501 0.723,502 0.657,503 0.635,504 0.635,505 0.995,506 1.167,507 1.084,508 1.109,509 0.903,510 0.958,511 0.84,512 0.989,513 1.168,514 1.156,515 0.913,516 1.097,517 1.111,518 1.219,519 1.092,520 1.188,521 0.904,522 1.097,523 1.538,524 1.141,525 1.656,526 1.347,527 1.694,528 1.147,529 0.841,530 0.994,531 0.777,532 0.91,533 0.591,534 1.003,535 1.426,536 1.15,537 0.969,538 1.024,539 1.542,540 1.356,541 3.5,543 2.444,544 2.021,545 1.411,546 0.292,547 0.536,548 0.163,549 0.092,550 0.007,551 3703,552 10237,553 2.195,554 35.5,556 8,558 1,559 2,564 1.622,565 2.069,566 2.875,567 0.41,569 1,571 1,573 50.614,574 1.633,575 3.732,576 4.297,577 4.672,578 4.736,579 4.736,580 2.228,581 3.784,582 4.298,583 2.97,584 564.211,585 7.361,586 5528.44,587 1,588 1,589 1,590 1,591 153.58,592 1.361,593 4.262,594 0.152,596 0.072,597 0.061,598 0.049,599 0.013,600 0.027,601 0.01,602 0.009,603 0.003,604 0.396,605 0.5,606 1,607 0.548,608 86.036,609 -0.011,610 0.032,611 0.053,612 0.082,613 -0.231,614 0.058,615 0.104,616 0.278,617 0.154,618 0.264,619 0.121,620 0.215,621 -0.055,622 -0.133,623 -0.056,624 -0.092,625 -0.036,626 -0.066,627 0.21,628 0.052,629 -0.108,630 -0.137,631 0.1,632 -0.188,633 -0.1,634 -0.226,635 -0.018,636 -0.161,637 0.01,638 -0.138,639 -0.417,640 -0.098,641 -0.442,642 -0.239,643 -0.443,644 -0.187,645 0.012,646 -0.144,647 0.054,648 -0.022,649 0.249,650 0.055,651 -0.364,652 -0.222,653 -0.314,654 -0.29,655 -0.308,656 -0.44,657 1.199,658 2.002,659 0.9,660 12.21,661 1.008,662 1.118,663 3.585,664 12.852,665 0.741,666 3.178,667 3.555,668 3.912,669 4.263,670 4.489,671 4.575,672 4.736,673 4.905,674 4.852,675 4.852,676 4.473,677 0.706,678 281.37,679 3.178,680 4.745,681 5.638,682 6.555,683 7.468,684 8.39,685 9.31,686 10.233,687 11.156,688 12.081,689 16.1,693 1,697 1,699 3,703 4,704 6,705 3,708 1,709 3,710 1,711 20,722 1,731 31,733 20,734 1,735 23,737 34,738 14,739 13,740 2,741 4,746 4,747 6,761 13,762 1,777 1,778 1,781 11,782 4,783 2,784 6,785 1,790 5,794 0.5,803 1,806 1,811 2,812 2,815 2,840 2,842 1,844 1,848 20,849 1,865 1,877 9.667,878 6.05,879 4.25,880 1.719,881 4.078,882 1.565,883 1.086,884 2.507,885 11.298,886 3.526,887 4.27,888 5.007,889 5.723,890 6.287,891 6.717,892 7.238,893 7.771,894 8.034,895 8.431,896 0.8,897 33,898 7.326,900 3.182,901 7.625,902 14.05,904 11.836,905 2.125,906 42.5,907 0.001,910 105.94,911 109.724,912 84.908,916 31.278,917 78.446,918 105.94,919 84.908,920 8.396,922 80.278,923 63.72,924 18.298,925 4.432,926 125.447,928 105.94,929 163.354,931 31.278,933 105.94,937 14.867,938 98.253,939 50.234,940 31.278,941 105.94,942 84.908,943 109.724,946 105.94,947 45.328,948 66.173,950 83.131,951 105.94,952 84.908,953 109.724,955 0.593,956 0.364,957 0.212,958 0.116,959 20,960 8,961 0.029,962 1,963 2,964 1.222,965 3.23,966 165.972,967 0.222,968 18,969 86.439,970 1,974 11.796,975 4.25,976 1.738,977 4.018,978 83.131,979 11.876,980 12.895,983 1.7,984 2.399,985 1.743,986 32.897,987 300.572,988 33,999 31.236,1000 34.657,1001 0.33,1002 0.753,1003 0.867,1004 0.943,1005 0.956,1006 0.956,1007 4.762,1008 1.284,1009 5.645,1010 3.655,1011 4.234,1012 4.956,1014 6.529,1015 4.119,1016 6.025,1017 0.899,1018 7.245,1019 2.941,1020 3.892,1021 4.913,1023 7.548,1024 3.723,1025 7.372,1026 0.347,1027 8.947,1028 2.329,1029 5.889,1030 7.353,1032 10.716,1033 5.674,1034 8.764,1035 -0.242,1036 10.709,1037 0.86,1038 6.399,1039 8.187,1041 12.6,1042 6.128,1043 10.19,1044 -0.628,1045 12.51,1046 -0.569,1047 7.873,1048 10.074,1050 15.283,1051 7.565,1052 11.642,1053 -0.68,1054 14.339,1055 -1.509,1056 8.764,1057 11.306,1059 17.513,1060 8.402,1061 13.115,1062 -0.953,1063 16.188,1064 -1.805,1065 10.043,1066 12.977,1068 20.042,1069 9.644,1070 3.315,1071 -1,1072 18.052,1073 -2.625,1074 11.1,1075 14.384,1077 22.412,1078 10.65,1079 2.945,1080 11.891,1081 19.928,1082 -2.68,1083 12.308,1084 15.969,1086 24.894,1087 11.82,1088 2.305,1089 9.561,1090 21.814,1091 4.735,1092 13.436,1093 17.451,1095 27.321,1096 12.9,1097 2.258,1098 7.706,1099 23.708,1100 4.374,1101 14.623,1102 19.005,1104 29.791,1105 14.046,1106 1.553,1107 6.739,1108 25.608,1109 3.144,1110 15.782,1111 20.519,1113 32.243,1114 15.159,1115 1.532,1116 4.312,1117 27.514,1118 3.081,1119 16.964,1120 22.062,1122 34.712,1123 16.299,1124 1.342,1125 4.024,1126 29.425,1127 2.329,1128 18.137,1129 23.59,1131 37.175,1132 17.428,1133 3481,1134 5913,1135 15.72,1136 22.96,1137 35.965,1138 35.439,1139 36.745,1140 35.577,1141 35.564,1142 51.05,1144 108.038,1145 33.427,1146 5.436,1147 5.337,1148 6.673,1149 5.391,1150 5.315,1151 7.735,1153 19.29,1154 5.168,1155 7.321,1156 1.564,1157 1.541,1158 1.598,1159 1.547,1160 1.546,1161 2.22,1163 4.697,1164 1.453,1165 4.153,1166 4.185,1167 4.351,1168 4.133,1169 5.258,1170 4.091,1171 3.981,1172 4.009,1173 4.018,1174 3.86,1175 4.909,1176 3.881,1177 3.409,1178 3.496,1179 3.459,1180 3.327,1181 4.813,1182 3.288,1183 3.332,1184 3.379,1185 3.292,1186 3.086,1187 4.506,1188 3.114,1189 2.982,1190 3.085,1191 2.943,1192 2.851,1193 4.136,1194 2.807,1195 2.902,1196 2.99,1197 2.863,1198 2.783,1199 3.722,1200 2.788,1201 2.875,1202 2.943,1203 2.651,1204 2.564,1205 3.689,1206 2.579,1207 2.38,1208 2.456,1209 2.302,1210 2.252,1211 3.6,1212 2.242,1213 0.207,1214 0.145,1215 0.304,1216 0.186,1217 0.144,1218 4.75,1219 0.206,1220 3.337,1222 6.99,1223 0.517,1224 4.271,1225 0.138,1226 3.315,1227 4.735,1229 11.891,1230 3.168,1231 1.919,1232 1.902,1233 2.008,1234 2.008,1235 1.136,1236 1.992,1237 1.831,1238 1.8,1239 1.871,1240 1.969,1241 1.001,1242 1.97,1243 1.546,1244 1.505,1245 1.676,1246 1.767,1247 0.771,1248 1.748,1249 1.284,1250 1.213,1251 1.448,1252 1.443,1253 0.544,1254 1.477,1255 0.975,1256 0.948,1257 1.18,1258 1.246,1259 0.277,1260 1.24,1261 0.906,1262 0.844,1263 1.102,1264 1.089,1265 0.153,1266 1.11,1267 0.806,1268 0.695,1269 1.067,1270 1.014,1272 1.063,1273 0.627,1274 0.558,1275 0.838,1276 0.877,1278 0.88,1279 3.85,1281 5.209,1282 3.045,1283 6.767,1284 5.476,1285 8.416,1286 7.644,1287 10.112,1289 1.867,1293 6.002,1305 21.875,1306 50.614,1307 115.706,1308 133.216,1309 144.825,1310 146.825,1311 146.825,1312 20.267,1313 7.22,1314 69.62,1315 97.86,1316 22,1317 12.587,1318 4.392,1319 3.459,1320 26.042,1321 53,1322 46,1323 0.248,1324 137.173,1325 210.11,1326 326.462,1327 12014,1329 13.69,1330 0.684,1331 0.578,1332 14.043,1333 11.555,1334 9.737,1335 0.423,1336 0.303,1337 6.146,1338 8.949,1339 5.912,1340 4.9,1341 10.145,1342 6.976,1343 9.062,1344 0.267,1345 0.167,1346 9.705,1347 5.662,1348 8.101,1349 0.165,1350 0.09,1351 8.907,1352 4.432,1353 7.282,1354 0.104,1355 0.049,1356 8.18,1357 3.434,1358 5.99,1359 0.068,1360 0.027,1361 6.874,1362 2.389,1363 0.37,1364 64.77,1365 0.252,1366 19.317,1367 0.745,1368 114,1369 310.753,1370 148.393,1371 331.446,1372 472.09,1373 312,1374 140,1375 354.332,1376 173.626,1377 377.002,1378 557.97,1379 355,1380 5.886}
{0 CHEMBL1240703,1 1.529,2 10.955,3 4.94,4 24.402,5 162.643,6 7.928,7 0.577,8 4.452,9 4.549,10 4.09,11 4.028,12 5.543,13 4.027,14 5.039,15 5.174,16 4.574,17 4.499,18 6.116,19 4.496,20 5.354,21 5.503,22 4.807,23 4.747,24 6.415,25 4.739,26 5.555,27 5.708,28 4.955,29 4.916,30 6.651,31 4.899,32 5.712,33 5.88,34 5.019,35 5.024,36 6.785,37 4.991,38 5.807,39 5.998,40 5.004,41 5.077,42 6.861,43 5.016,44 5.835,45 6.046,46 4.881,47 5.022,48 6.889,49 4.938,50 5.703,51 5.922,52 4.64,53 4.855,54 6.751,55 4.751,56 0.074,57 1.064,58 13.58,59 6.747,60 16.837,61 7.968,62 0.531,63 1.884,64 28.133,65 11.685,66 41.046,67 14.14,68 0.695,69 2.532,70 40.329,71 16.193,72 56.058,73 19.403,74 0.778,75 3.064,76 49.956,77 20.238,78 96.563,79 24.274,80 1.043,81 3.566,82 60.228,83 23.585,84 96.073,85 28.642,86 1.038,87 3.852,88 68.795,89 27.353,90 109.954,91 34.694,92 1.207,93 3.83,94 75.265,95 28.908,96 156.498,97 36.875,98 1.098,99 3.326,100 67.314,101 25.466,102 138.141,103 32.452,104 38,105 83,106 0.231,107 0.568,108 0.737,109 0.827,110 0.863,111 0.879,112 3.812,113 0.859,114 -4.59,115 -4.51,116 -4.24,119 47.3,120 1,121 1,124 2,127 2,128 2,131 1,142 13,143 7,152 4,158 2,172 19,174 3,175 14,178 1,179 1,180 3,183 20,186 4,187 16,192 4,195 16,198 3,199 22,202 1,204 4,207 18,211 3,212 18,215 3,217 4,220 21,223 4,224 25,227 1,229 7,232 21,236 1,237 22,240 2,242 8,245 15,250 19,253 2,255 2,258 18,262 2,263 10,266 2,271 23,275 3014,276 30.299,277 30.299,278 30.299,279 30.299,280 30.299,281 26.829,282 30.107,283 17.014,284 30.897,285 25.625,286 25.625,287 25.625,288 25.625,289 25.625,290 20.015,291 42.947,292 7.961,293 26.559,294 4.68,295 2.443,296 1.325,297 0.729,298 0.49,299 0.382,300 4.548,305 1,306 1118,307 4.359,310 121.185,311 299.889,312 49.544,314 439.111,315 146.694,316 82.085,317 664.026,318 1.508,319 52.322,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 95,331 482,332 5.138,333 4.043,334 8.024,335 4.739,336 3.793,337 5.289,338 1.336,339 15.536,340 3.613,341 4.75,342 3.795,343 7.474,344 4.443,345 3.479,346 4.71,347 1.2,348 13.722,349 3.327,350 4.543,351 3.694,352 7.021,353 4.175,354 3.21,355 3.989,356 1.157,357 12.03,358 3.099,359 4.285,360 3.386,361 6.766,362 3.998,363 3.028,364 3.729,365 0.947,366 10.942,367 2.937,368 4.182,369 3.266,370 6.561,371 3.864,372 2.885,373 3.608,374 0.86,375 10.12,376 2.819,377 3.862,378 2.917,379 6.172,380 3.482,381 2.514,382 3.419,383 0.297,384 8.82,385 2.422,386 3.744,387 2.719,388 6.05,389 3.376,390 2.404,391 3.089,392 0.293,393 8.417,394 2.342,395 3.578,396 2.675,397 5.919,398 3.265,399 2.314,400 2.882,402 7.954,403 2.182,404 3.524,405 2.377,406 5.707,407 3.125,408 2.134,409 2.818,411 7.212,412 2.106,413 3.291,414 2.209,415 5.427,416 2.877,417 1.915,418 2.546,420 6.136,421 1.842,422 3.083,423 2.086,424 5.061,425 2.697,426 1.736,427 2.21,428 5.186,429 1.668,430 2.996,431 2.041,432 5.018,433 2.633,434 1.648,435 2.113,436 4.93,437 1.604,438 2.91,439 1.899,440 4.776,441 2.534,442 1.575,443 2.082,445 4.553,446 1.499,447 2.86,448 1.524,449 4.615,450 2.389,451 1.401,452 1.962,454 4.114,455 1.383,456 2.712,457 1.486,458 4.108,459 2.301,460 1.336,461 1.774,463 3.097,464 1.287,465 20.767,466 0.472,467 1.342,468 0.03,469 57.5,470 1.307,471 27,472 0.614,473 30.5,474 0.693,475 50.138,476 1.139,477 45.233,478 0.611,479 57.233,480 1.301,481 11.281,482 0.256,483 10.065,484 0.229,485 0.12,486 0.024,487 0.467,493 0.8,494 1.228,495 0.703,496 0.984,497 0.679,498 0.851,499 0.92,500 1.003,501 0.763,502 0.809,503 0.639,504 0.763,505 1.094,506 1.016,507 0.854,508 0.881,509 0.811,510 0.827,511 1.13,512 1.095,513 0.913,514 0.977,515 0.963,516 0.916,517 1.141,518 1.061,519 1.027,520 1.018,521 0.93,522 0.999,523 0.947,524 1.098,525 1.016,526 1.09,527 0.812,528 1.067,529 1.053,530 1.048,531 1.077,532 1.081,533 1.089,534 1.084,535 1.134,536 1.021,537 1.179,538 1.101,539 1.141,540 1.141,541 7,542 0.268,543 5.778,544 5.972,545 4.638,546 3.362,547 2.694,548 1.621,549 0.966,550 0.552,551 27782,552 69378,553 2.223,554 40.5,556 21,557 2,559 2,562 3,563 2,564 1.835,565 2.054,566 3.332,567 0.081,573 113.158,574 1.529,575 3.766,576 4.885,577 5.481,578 5.719,579 5.827,580 2.771,581 5.187,582 5.428,583 3.497,584 3308.49,585 9.693,586 52353.2,591 459.5,592 1.563,593 5.382,594 0.135,595 0.006,596 0.07,597 0.058,598 0.039,599 0.027,600 0.023,601 0.016,602 0.012,603 0.009,604 0.395,605 0.33,606 0.75,607 0.64,608 241.215,609 -0.054,610 -0.131,611 0.066,612 -0.014,613 -0.093,614 0.035,615 0.06,616 0.096,617 0.103,618 0.139,619 0.01,620 0.126,621 -0.019,622 0.056,623 0.052,624 0.071,625 -0.024,626 0.076,627 -0.047,628 -0.046,629 0.007,630 -0.017,631 0.004,632 -0.001,633 -0.047,634 -0.014,635 -0.084,636 -0.063,637 -0.031,638 -0.076,639 0.014,640 -0.092,641 -0.053,642 -0.112,643 0.027,644 -0.097,645 -0.022,646 -0.086,647 -0.063,648 -0.089,649 -0.017,650 -0.083,651 -0.085,652 -0.069,653 -0.15,654 -0.107,655 -0.078,656 -0.133,657 2.486,658 6.891,659 0.795,660 42.955,661 1.007,662 1.114,663 3.358,664 11.275,665 0.692,666 3.97,667 4.431,668 4.898,669 5.371,670 5.79,671 6.161,672 6.562,673 6.93,674 7.229,675 7.519,676 6.401,677 0.669,678 586.69,679 3.97,680 5.602,681 6.555,682 7.535,683 8.515,684 9.51,685 10.503,686 11.505,687 12.505,688 13.512,689 5.4,696 2,697 2,703 8,704 13,709 3,710 2,711 30,718 1,719 1,731 74,733 32,734 4,735 52,737 82,738 35,739 24,740 11,741 13,742 2,746 9,747 81,752 1,755 4,758 4,761 26,762 9,766 2,771 2,775 2,781 30,782 7,783 2,784 9,790 4,794 0.222,795 5,807 2,811 3,812 5,813 1,815 6,816 2,817 1,818 7,838 1,839 2,840 2,844 3,848 44,853 1,854 1,855 1,856 2,858 4,859 1,860 1,870 6.8,871 1,873 2,874 2,877 21.417,878 14.383,879 9.208,880 4.471,881 6.054,882 1.54,883 1.044,884 5.397,885 17.257,886 4.248,887 4.98,888 5.766,889 6.568,890 7.324,891 7.988,892 8.698,893 9.367,894 9.927,895 10.491,896 0.75,897 103,898 16.539,900 7.798,901 7.71,902 31.545,904 28.583,905 2.21,906 97.25,910 329.591,911 191.665,912 24.933,914 114.973,917 191.665,918 444.564,919 24.933,920 28.105,921 23.67,922 165.875,923 81.699,924 23.647,925 32.119,926 306.049,928 329.591,929 216.598,930 114.973,933 294.278,934 85.603,935 64.683,937 36.293,938 180.305,941 329.591,942 139.906,943 191.665,946 329.591,947 40.369,948 158.218,949 18.011,950 114.973,951 329.591,952 139.906,953 191.665,955 0.604,956 0.388,957 0.239,958 0.143,959 50,960 22,961 0.037,962 3,963 10,964 1.486,965 4.64,966 598.099,967 0.571,968 32,969 236.215,974 26.371,975 9.005,976 3.203,977 6.983,978 136.108,979 25.332,984 1.68,985 4.387,986 60.694,987 661.162,988 69,993 27.482,997 -0.393,999 74.531,1000 82.438,1001 0.246,1002 0.606,1003 0.787,1004 0.883,1005 0.921,1006 0.938,1007 5.57,1008 2.314,1009 6.611,1010 8.417,1011 5.118,1012 5.67,1013 2.554,1014 7.626,1015 5.047,1016 6.839,1017 2.134,1018 8.293,1019 7.954,1020 4.977,1021 5.732,1022 1.025,1023 8.967,1024 4.855,1025 8.217,1026 1.915,1027 10.083,1028 7.212,1029 6.919,1030 8.064,1031 2.709,1032 12.207,1033 6.77,1034 9.637,1035 1.736,1036 11.94,1037 6.136,1038 7.621,1039 9.005,1040 1.63,1041 14.394,1042 7.413,1043 11.096,1044 1.648,1045 13.838,1046 5.186,1047 9.086,1048 10.856,1049 2.976,1050 17.219,1051 8.848,1052 12.583,1053 1.575,1054 15.767,1055 4.93,1056 10.139,1057 12.193,1058 2.195,1059 19.729,1060 9.842,1061 14.093,1062 1.401,1063 17.719,1064 4.553,1065 11.46,1066 13.884,1067 3.306,1068 22.45,1069 11.124,1070 3.793,1071 1.336,1072 19.689,1073 4.114,1074 12.654,1075 15.397,1076 2.759,1077 25.084,1078 12.263,1079 3.479,1080 15.536,1081 21.673,1082 3.097,1083 13.941,1084 17.042,1085 3.684,1086 27.788,1087 13.504,1088 3.21,1089 13.722,1090 23.669,1091 5.289,1092 15.193,1093 18.63,1094 3.324,1095 30.47,1096 14.703,1097 3.028,1098 12.03,1099 25.676,1100 4.71,1101 16.478,1102 20.267,1103 4.1,1104 33.178,1105 15.94,1106 2.885,1107 10.942,1108 27.692,1109 3.989,1110 17.756,1111 21.888,1112 3.89,1113 35.883,1114 17.166,1115 2.514,1116 10.12,1117 29.715,1118 3.729,1119 19.048,1120 23.529,1121 4.548,1122 38.599,1123 18.408,1124 2.404,1125 8.82,1126 31.745,1127 3.608,1128 20.341,1129 25.166,1130 4.456,1131 41.316,1132 19.65,1133 24898,1134 39485,1135 35.142,1136 51.193,1137 83.801,1138 85.386,1139 87.152,1140 82.891,1141 82.794,1142 108.604,1143 12.18,1144 274.369,1145 79.924,1146 6.138,1147 6.043,1148 7.826,1149 5.871,1150 5.793,1151 8.289,1152 2.493,1153 24.424,1154 5.613,1155 21.159,1156 1.612,1157 1.642,1158 1.676,1159 1.594,1160 1.592,1161 2.089,1162 0.234,1163 5.276,1164 1.537,1165 4.368,1166 4.39,1167 4.353,1168 4.286,1169 7.431,1170 4.3,1171 4.019,1172 4.046,1173 3.986,1174 3.953,1175 7.426,1176 3.957,1177 3.943,1178 3.972,1179 3.885,1180 3.858,1181 6.452,1182 3.858,1183 3.831,1184 3.86,1185 3.769,1186 3.686,1187 5.087,1188 3.701,1189 3.731,1190 3.763,1191 3.666,1192 3.622,1193 4.811,1194 3.626,1195 3.511,1196 3.564,1197 3.432,1198 3.322,1199 4.73,1200 3.346,1201 3.413,1202 3.468,1203 3.311,1204 3.234,1205 4.685,1206 3.241,1207 3.321,1208 3.376,1209 3.228,1210 3.132,1211 4.462,1212 3.151,1213 0.099,1214 0.078,1215 0.154,1216 0.091,1217 0.073,1218 5.138,1219 0.102,1220 4.043,1221 0.026,1222 8.024,1223 0.299,1224 4.739,1225 0.069,1226 3.793,1227 5.289,1228 1.336,1229 15.536,1230 3.613,1231 2.034,1232 2.027,1233 2.077,1234 2.095,1235 1.377,1236 2.081,1237 1.958,1238 1.932,1239 2.057,1240 2.068,1241 1.342,1242 2.068,1243 1.907,1244 1.882,1245 2.019,1246 2.019,1247 1.166,1248 2.005,1249 1.888,1250 1.856,1251 1.951,1252 1.999,1253 1.14,1254 2.003,1255 1.78,1256 1.746,1257 1.934,1258 1.918,1259 1.072,1260 1.927,1261 1.41,1262 1.353,1263 1.667,1264 1.674,1265 0.827,1266 1.658,1267 1.367,1268 1.322,1269 1.583,1270 1.649,1271 0.735,1272 1.62,1273 1.314,1274 1.27,1275 1.572,1276 1.55,1277 0.618,1278 1.553,1279 4.654,1281 6.08,1282 3.434,1283 7.717,1284 6.043,1285 9.456,1286 8.367,1287 11.253,1289 5.532,1294 11.331,1295 0.465,1296 2.778,1297 13.514,1299 -2.558,1300 1.788,1301 -1.072,1305 49.508,1306 113.158,1307 278.685,1308 361.478,1309 405.583,1310 423.235,1311 431.235,1312 85.004,1313 11.203,1314 97.96,1315 97.96,1316 52,1317 13.968,1318 5.044,1319 4.17,1320 51.439,1321 177,1322 213,1323 0.153,1324 286.137,1325 488.41,1326 689.934,1327 1325540,1329 30.068,1330 0.683,1331 0.556,1332 30.068,1333 24.444,1334 21.346,1335 0.411,1336 0.286,1337 14.672,1338 20.565,1339 14.327,1340 11.69,1341 21.346,1342 14.887,1343 20.482,1344 0.247,1345 0.147,1346 20.482,1347 12.22,1348 19.562,1349 0.147,1350 0.076,1351 19.562,1352 10.086,1353 18.819,1354 0.088,1355 0.039,1356 18.819,1357 8.371,1358 17.062,1359 0.052,1360 0.02,1361 17.062,1362 6.5,1363 0.227,1364 133.695,1365 0.169,1366 36.54,1367 0.473,1368 270,1369 712.36,1370 295.578,1371 681.976,1372 969.17,1373 644,1374 351,1375 747.433,1376 379.853,1377 753.841,1378 1156.83,1379 715,1380 5}
{0 CHEMBL1241104,1 1.516,2 6.25,3 1.494,4 2.232,5 62.5,6 8.45,7 0.889,8 3.381,9 3.515,10 3.06,11 2.932,12 4.631,13 2.948,14 3.801,15 3.954,16 3.395,17 3.295,18 5.017,19 3.291,20 3.936,21 4.122,22 3.38,23 3.32,24 5.081,25 3.298,26 3.928,27 4.138,28 3.302,29 3.208,30 5.155,31 3.179,32 3.858,33 4.105,34 2.987,35 3.045,36 4.946,37 2.992,38 3.632,39 3.879,40 2.714,41 2.813,42 4.742,43 2.743,44 3.395,45 3.684,46 2.098,47 2.451,48 4.367,49 2.301,50 2.841,51 3.183,52 1.047,53 1.794,54 3.526,55 1.54,56 0.07,57 0.443,58 4.016,59 1.703,60 7.512,61 2.032,62 0.127,63 0.66,64 6.602,65 2.867,66 11.901,67 3.566,68 0.109,69 0.711,70 8.577,71 3.403,72 12.039,73 4.475,74 0.2,75 0.692,76 9.043,77 3.255,78 20.125,79 4.349,80 0.183,81 0.595,82 9.612,83 2.726,84 18.739,85 3.672,86 0.133,87 0.465,88 7.631,89 2.301,90 15.706,91 3.131,92 0.115,93 0.323,94 6.917,95 2.093,96 14.384,97 3.009,98 0.069,99 0.152,100 4.736,101 1.46,102 9.097,103 2.238,104 2,105 25,106 0.296,107 0.641,108 0.747,109 0.806,110 0.827,111 0.827,112 2.856,113 0.81,114 -3.81,115 -3.77,116 -3.58,119 44,142 5,143 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 6,174 1,175 4,177 1,178 2,180 2,183 7,185 1,186 1,187 2,192 1,195 5,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 2,209 1,212 5,217 4,220 1,222 2,224 4,229 3,234 2,237 2,242 1,247 1,275 240,276 11.121,277 11.121,278 11.121,279 11.121,280 11.121,281 9.231,282 3.162,283 6.658,284 11.343,285 8.899,286 8.899,287 8.899,288 8.899,289 8.899,290 6.167,291 2.5,292 3.145,293 9.244,294 3.128,295 1.355,296 0.815,297 0.51,298 0.4,299 0.4,300 3.533,304 1,305 1,306 219,307 1.581,310 26.971,311 75.472,314 51.981,318 0.906,319 10.889,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 34.5,331 100,332 4.665,333 3.242,334 6.884,335 4.199,336 3.227,337 4.625,339 11.488,340 3.136,341 3.943,342 2.55,343 5.84,344 3.51,345 2.533,346 3.525,348 7.964,349 2.473,350 3.426,351 2.073,352 5.034,353 2.927,354 2,355 2.812,357 5.678,358 1.852,359 3.245,360 1.763,361 4.507,362 2.726,363 1.763,364 2.598,366 4.407,367 1.696,368 2.809,369 1.33,370 3.851,371 2.283,372 1.329,373 1.954,375 3.003,376 1.265,377 2.5,378 1,379 3.497,380 2,381 1,382 1.5,384 2.468,385 1,386 2.5,387 1,388 3.284,389 1.958,390 1,391 1.5,393 2.136,394 0.956,395 2.156,396 0.749,397 3.247,398 1.66,399 0.705,400 1.007,402 1.733,403 0.671,404 1.047,405 -0.183,406 2.383,407 0.608,408 -0.309,409 -0.397,411 -0.71,412 -0.283,413 0.828,414 -0.593,415 2.346,416 0.378,417 -0.593,418 -0.817,420 -1.407,421 -0.577,422 0.5,423 -1,424 2,426 -1,427 -1.5,428 -2.347,429 -0.95,430 0.5,431 -1,432 1.82,433 -0.042,434 -1,435 -1.5,436 -2.509,437 -1,438 0.064,439 -1.196,440 1.555,441 -0.371,442 -1.294,443 -1.736,445 -3.313,446 -1.199,447 -0.125,448 -1.511,449 1.257,450 -0.578,451 -1.531,452 -2.133,454 -4.447,455 -1.453,456 -0.414,457 -1.877,458 1.04,459 -0.901,460 -1.883,461 -2.598,463 -4.789,464 -1.793,465 7.5,466 0.469,467 0.312,468 0.019,469 25.25,470 1.578,471 14.5,472 0.906,473 10.75,474 0.672,475 7.744,476 0.484,477 15.9,478 0.636,479 14.638,480 0.915,481 5.12,482 0.32,483 2.74,484 0.171,485 0.053,487 0.333,493 0.979,494 1.049,495 0.707,496 0.796,497 1.135,498 0.719,499 0.72,500 0.973,501 0.762,502 0.928,503 0.724,504 0.868,505 0.845,506 1.258,507 0.846,508 1.127,509 0.817,510 1.015,511 0.739,512 1.031,513 0.949,514 1.117,515 0.786,516 1.081,517 1.527,518 0.988,519 1.24,520 0.915,521 1.196,522 1.003,523 1.39,524 1.058,525 1.263,526 1.055,527 1.348,528 1.119,529 1.191,530 0.87,531 1.319,532 1.081,533 1.371,534 1.196,535 0.741,536 0.534,537 1.099,538 0.905,539 1.032,540 1.036,541 2,543 1.778,544 1.125,545 0.814,546 0.264,547 0.101,548 0.076,551 1923,552 5500,553 2.174,554 36,556 5,558 1,559 3,564 1.556,565 2.087,566 2.693,567 1.311,571 1,573 37.904,574 1.516,575 3.289,576 3.829,577 4.134,578 4.244,579 4.244,580 2.127,581 3.625,582 3.976,583 2.726,584 327.127,585 6.714,586 2739.22,588 1,591 116.096,592 1.198,593 3.954,594 0.111,596 0.071,597 0.047,598 0.039,599 0.018,600 0.009,601 0.015,604 0.31,605 0.67,606 1,607 0.5,608 62.635,609 -0.086,610 0.076,611 0.015,612 0.111,613 -0.255,614 0.088,615 0.149,616 0.107,617 0.012,618 0.003,619 0.029,620 -0.014,621 0.013,622 -0.266,623 0.023,624 -0.169,625 0.011,626 -0.091,627 0.306,628 -0.03,629 -0.022,630 -0.202,631 0.258,632 -0.179,633 -0.411,634 -0.031,635 -0.228,636 0.004,637 -0.195,638 -0.061,639 -0.337,640 -0.126,641 -0.245,642 -0.114,643 -0.229,644 -0.153,645 -0.22,646 -0.049,647 -0.179,648 -0.068,649 -0.238,650 -0.106,651 0.069,652 0.13,653 0.217,654 0.237,655 -0.019,656 0.251,657 1.224,658 1.828,659 0.938,660 7.875,661 1.011,662 1.133,663 2.578,664 6.646,665 0.702,666 2.944,667 3.258,668 3.584,669 3.892,670 4.06,671 4.043,672 4.094,673 4.143,674 3.989,675 3.807,676 3.819,677 0.686,678 211.25,679 2.944,680 4.466,681 5.333,682 6.221,683 7.107,684 8.005,685 8.899,686 9.8,687 10.697,688 11.599,689 20,693 1,697 1,699 3,703 2,704 6,705 3,706 1,709 3,711 16,722 1,731 25,733 16,734 1,735 18,737 27,738 11,739 11,740 1,741 5,746 3,747 4,761 11,778 1,781 9,782 4,783 3,784 5,790 5,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,848 16,849 1,877 7.667,878 4.433,879 3.528,880 1.34,881 3.168,882 1.501,883 1.064,884 1.997,885 9.492,886 3.296,887 3.966,888 4.66,889 5.335,890 5.864,891 6.17,892 6.601,893 7.026,894 7.17,895 7.387,896 1,897 24,898 5.826,900 2.474,901 7.74,902 10.98,904 8.896,905 2.24,906 35.833,907 0.002,910 70.627,911 68.558,912 99.794,917 68.558,918 70.627,919 99.794,922 80.278,923 63.72,924 33.797,925 2.328,926 58.856,928 70.627,929 168.353,933 70.627,937 29.754,938 88.365,939 50.234,941 70.627,942 99.794,943 68.558,946 70.627,947 12.559,948 56,949 16.663,950 83.131,951 70.627,952 99.794,953 68.558,955 0.575,956 0.35,957 0.205,958 0.109,959 14,960 5,961 0.037,962 1,963 1,964 1.133,965 2.872,966 114.412,967 0.133,968 15,969 60,974 9.158,975 3.488,976 1.429,977 1.431,978 83.131,979 11.235,980 12.27,981 2.846,984 2.224,986 49.56,987 238.979,988 26,999 25.276,1000 28.322,1001 0.326,1002 0.708,1003 0.825,1004 0.89,1005 0.914,1006 0.914,1007 4.489,1008 0.705,1009 5.303,1010 2.136,1011 3.932,1012 4.649,1014 6.142,1015 3.861,1016 5.714,1017 -0.309,1018 6.87,1019 1.733,1020 3.434,1021 4.407,1023 7.13,1024 3.336,1025 7.029,1026 -0.593,1027 8.549,1028 -0.71,1029 5.525,1030 6.966,1032 10.298,1033 5.396,1034 8.392,1035 -1,1036 10.298,1037 -1.407,1038 5.943,1039 7.667,1041 12.196,1042 5.791,1043 9.794,1044 -1,1045 12.094,1046 -2.347,1047 7.463,1048 9.617,1050 14.869,1051 7.284,1052 11.226,1053 -1.294,1054 13.922,1055 -2.509,1056 8.302,1057 10.767,1059 17.106,1060 8.099,1061 12.68,1062 -1.531,1063 15.772,1064 -3.313,1065 9.598,1066 12.466,1068 19.623,1069 9.368,1070 3.227,1071 -1.883,1072 17.64,1073 -4.447,1074 10.626,1075 13.827,1077 21.987,1078 10.368,1079 2.533,1080 11.488,1081 19.52,1082 -4.789,1083 11.837,1084 15.423,1086 24.453,1087 11.552,1088 2,1089 7.964,1090 21.41,1091 4.625,1092 12.945,1093 16.878,1095 26.864,1096 12.632,1097 1.763,1098 5.678,1099 23.307,1100 3.525,1101 14.126,1102 18.433,1104 29.313,1105 13.785,1106 1.329,1107 4.407,1108 25.21,1109 2.812,1110 15.269,1111 19.931,1113 31.742,1114 14.9,1115 1,1116 3.003,1117 27.118,1118 2.598,1119 16.441,1120 21.47,1122 34.186,1123 16.043,1124 1,1125 2.468,1126 29.03,1127 1.954,1128 17.599,1129 22.986,1131 36.622,1132 17.172,1133 1878,1134 3269,1135 12.425,1136 17.551,1137 27.376,1138 27.059,1139 27.844,1140 27.149,1141 27.114,1142 39.04,1144 77.753,1145 26.098,1146 5.309,1147 5.242,1148 6.686,1149 5.271,1150 5.227,1151 7.625,1153 18.656,1154 5.136,1155 4.356,1156 1.521,1157 1.503,1158 1.547,1159 1.508,1160 1.506,1161 2.169,1163 4.32,1164 1.45,1165 4.106,1166 4.154,1167 4.085,1168 3.974,1169 5.279,1170 3.993,1171 3.815,1172 3.854,1173 3.747,1174 3.714,1175 4.921,1176 3.721,1177 3.293,1178 3.394,1179 3.229,1180 3.008,1181 4.719,1182 3.049,1183 3.02,1184 3.118,1185 2.922,1186 2.757,1187 4.491,1188 2.792,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.756,1194 2.715,1195 2.784,1196 2.867,1197 2.642,1198 2.591,1199 3.674,1200 2.595,1201 2.328,1202 2.443,1203 2.111,1204 1.979,1205 3.514,1206 1.995,1207 2.109,1208 2.199,1209 2.058,1210 1.827,1211 3.178,1212 1.873,1213 0.259,1214 0.18,1215 0.382,1216 0.233,1217 0.179,1218 4.665,1219 0.257,1220 3.242,1222 6.884,1223 0.638,1224 4.199,1225 0.174,1226 3.227,1227 4.625,1229 11.488,1230 3.136,1231 1.933,1232 1.908,1233 2.03,1234 2.027,1235 1.124,1236 2.022,1237 1.757,1238 1.713,1239 1.824,1240 1.94,1241 0.863,1242 1.918,1243 1.261,1244 1.184,1245 1.379,1246 1.592,1247 0.326,1248 1.54,1249 0.932,1250 0.85,1251 1.181,1252 1.224,1253 0.218,1254 1.215,1255 0.886,1256 0.821,1257 1.171,1258 1.129,1259 0.049,1260 1.128,1261 0.794,1262 0.688,1263 1.086,1264 1.062,1266 1.107,1267 0.568,1268 0.476,1269 0.856,1270 0.784,1272 0.816,1275 0.381,1276 0.287,1278 0.247,1279 3.611,1281 4.92,1282 2.398,1283 6.447,1284 4.727,1285 8.074,1286 6.862,1287 9.751,1293 5.828,1305 17.161,1306 37.904,1307 82.222,1308 95.732,1309 103.342,1310 106.096,1311 106.096,1312 15.178,1313 6.324,1314 80.48,1315 80.48,1316 17,1317 12.121,1318 4.087,1319 3.17,1320 21.656,1321 36,1322 34,1323 0.311,1324 107.586,1325 165.6,1326 254.269,1327 3818,1329 10.958,1330 0.685,1331 0.524,1332 10.958,1333 8.383,1334 7.86,1335 0.437,1336 0.27,1337 4.788,1338 7.562,1339 4.711,1340 3.923,1341 7.86,1342 4.86,1343 6.885,1344 0.275,1345 0.137,1346 6.885,1347 3.421,1348 6.056,1349 0.173,1350 0.07,1351 6.056,1352 2.434,1353 5.371,1354 0.112,1355 0.035,1356 5.371,1357 1.687,1358 4.194,1359 0.074,1360 0.019,1361 4.194,1362 1.055,1363 0.454,1364 49.266,1365 0.284,1366 15.739,1367 0.958,1368 86,1369 248.58,1370 94.076,1371 249.512,1372 351.71,1373 234,1374 103,1375 273.226,1376 111.77,1377 278.313,1378 406.48,1379 262,1380 5.066}
{0 CHEMBL1241142,1 1.497,2 7,3 2.116,4 4.479,5 66.099,6 8.046,7 0.842,8 3.474,9 3.612,10 3.113,11 3.022,12 4.688,13 3.025,14 3.919,15 4.09,16 3.463,17 3.394,18 5.085,19 3.379,20 4.042,21 4.215,22 3.461,23 3.459,24 5.163,25 3.419,26 4.144,27 4.376,28 3.363,29 3.374,30 5.28,31 3.308,32 4.05,33 4.324,34 3.05,35 3.185,36 5.046,37 3.1,38 3.706,39 3.947,40 2.848,41 2.922,42 4.803,43 2.858,44 3.536,45 3.796,46 2.45,47 2.694,48 4.531,49 2.585,50 3.334,51 3.642,52 1.927,53 2.348,54 4.154,55 2.159,56 0.063,57 0.482,58 5.012,59 2.031,60 7.8,61 2.621,62 0.13,63 0.723,64 8.747,65 3.498,66 13.358,67 4.679,68 0.073,69 0.793,70 9.787,71 4.049,72 9.469,73 5.486,74 0.218,75 0.811,76 12.752,77 4.405,78 24.375,79 6.26,80 0.191,81 0.679,82 13.038,83 3.699,84 21.977,85 5.496,86 0.111,87 0.506,88 8.413,89 2.526,90 15.818,91 3.65,92 0.113,93 0.401,94 7.403,95 2.178,96 13.606,97 3.158,98 0.073,99 0.284,100 6.882,101 2.227,102 10.081,103 3.392,104 5,105 27,106 0.285,107 0.704,108 0.788,109 0.816,110 0.816,111 0.816,112 2.91,113 0.832,114 -4.09,115 -4.04,116 -3.82,119 42.9,120 1,142 4,143 3,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 7,174 2,175 3,177 1,178 1,180 3,183 9,185 1,187 1,190 1,192 2,195 7,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 3,209 1,212 6,217 3,220 1,222 2,224 5,229 3,232 1,234 2,237 3,242 1,247 1,250 2,255 1,260 1,275 291,276 11.569,277 11.569,278 11.569,279 11.569,280 11.569,281 9.654,282 5.588,283 6.745,284 11.791,285 9.365,286 9.365,287 9.365,288 9.365,289 9.365,290 6.572,291 3.971,292 3.182,293 9.71,294 3.31,295 1.111,296 0.67,297 0.527,298 0.527,299 0.527,300 3.586,304 1,305 1,306 259,307 1.732,310 30.114,311 83.112,314 57.8,318 0.941,319 11.36,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 36.5,331 119,332 4.666,333 3.244,334 6.884,335 4.201,336 3.229,337 4.626,339 11.489,340 3.139,341 4.022,342 2.677,343 5.849,344 3.589,345 2.605,346 3.646,348 8.009,349 2.564,350 3.573,351 2.339,352 5.042,353 3.184,354 2.203,355 2.959,357 6.015,358 2.159,359 3.419,360 2.058,361 5.024,362 2.916,363 1.989,364 2.805,366 5.676,367 1.84,368 2.989,369 1.533,370 4.392,371 2.453,372 1.508,373 2.22,375 4.011,376 1.42,377 2.553,378 1.078,379 3.806,380 2.01,381 1.065,382 1.578,384 2.679,385 1.004,386 2.5,387 1,388 3.414,389 2,390 1,391 1.5,393 2.275,394 1,395 2.185,396 0.791,397 3.31,398 1.699,399 0.742,400 1.051,402 1.802,403 0.708,404 1.151,405 0.06,406 2.502,407 0.822,408 -0.161,409 -0.2,411 -0.361,412 -0.158,413 1.033,414 -0.217,415 2.364,416 0.569,417 -0.346,418 -0.456,420 -0.788,421 -0.318,422 0.583,423 -0.785,424 2,425 0.107,426 -0.854,427 -1.15,428 -2.258,429 -0.817,430 0.5,431 -1,432 2,434 -1,435 -1.5,436 -3,437 -1,438 0.105,439 -1.121,440 1.862,441 -0.28,442 -1.225,443 -1.657,445 -3.118,446 -1.139,447 -0.076,448 -1.224,449 1.583,450 -0.406,451 -1.361,452 -1.79,454 -3.328,455 -1.31,456 -0.136,457 -1.525,458 1.257,459 -0.594,460 -1.554,461 -2.188,463 -4.46,464 -1.493,465 8,466 0.471,467 0.418,468 0.025,469 25.75,470 1.515,471 14.5,472 0.853,473 11.25,474 0.662,475 9.436,476 0.555,477 17.2,478 0.614,479 15.373,480 0.904,481 5.159,482 0.303,483 3.095,484 0.182,485 0.113,487 0.375,493 0.956,494 1.083,495 0.742,496 0.855,497 1.132,498 0.78,499 0.676,500 0.919,501 0.689,502 0.843,503 0.615,504 0.782,505 0.766,506 1.351,507 0.92,508 1.272,509 0.789,510 1.149,511 0.715,512 1.019,513 0.977,514 1.133,515 0.773,516 1.105,517 1.32,518 0.907,519 1.071,520 0.844,521 1.026,522 0.903,523 1.326,524 1.124,525 1.124,526 1.024,527 1.313,528 1.037,529 1.423,530 0.943,531 1.342,532 1.048,533 1.483,534 1.157,535 0.764,536 0.959,537 1.043,538 1.127,539 0.732,540 1.131,541 3,543 2.222,544 1.188,545 1.006,546 0.375,547 0.206,548 0.211,549 0.037,550 0.016,551 2274,552 6130,553 2.127,554 39.3,555 3,556 4,558 1,559 3,564 1.572,565 2,566 2.814,567 1.251,569 1,571 1,573 41.923,574 1.497,575 3.696,576 4.138,577 4.28,578 4.28,579 4.28,580 2.228,581 3.455,582 4.061,583 2.87,584 390.378,585 6.878,586 3397.74,588 1,590 1,591 134.606,592 1.379,593 4.023,594 0.158,596 0.082,597 0.046,598 0.046,599 0.023,600 0.016,601 0.026,602 0.009,603 0.016,604 0.422,605 0.67,606 1,607 0.604,608 68.749,609 -0.049,610 0.069,611 0.026,612 0.09,613 -0.23,614 0.074,615 0.201,616 0.161,617 0.147,618 0.129,619 0.161,620 0.129,621 0.032,622 -0.317,623 -0.084,624 -0.29,625 -0.025,626 -0.222,627 0.294,628 -0.045,629 -0.015,630 -0.186,631 0.215,632 -0.159,633 -0.248,634 0.006,635 -0.026,636 0.104,637 -0.043,638 0.081,639 -0.265,640 -0.156,641 -0.144,642 -0.093,643 -0.159,644 -0.097,645 -0.369,646 -0.01,647 -0.332,648 -0.108,649 -0.405,650 -0.195,651 0.054,652 -0.2,653 0.079,654 -0.088,655 0.172,656 -0.017,657 1.223,658 1.858,659 0.882,660 9.301,661 1.006,662 1.133,663 2.859,664 8.175,665 0.69,666 2.996,667 3.332,668 3.638,669 3.932,670 4.127,671 4.143,672 4.19,673 4.29,674 4.159,675 3.97,676 4.121,677 0.667,678 225.28,679 2.996,680 4.533,681 5.398,682 6.29,683 7.175,684 8.074,685 8.967,686 9.868,687 10.765,688 11.668,689 17.9,693 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 1,731 28,733 16,734 1,735 19,737 30,738 12,739 11,740 2,741 4,746 3,747 4,752 1,761 11,762 1,778 1,781 11,782 4,783 3,784 5,790 5,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 1,848 17,849 1,877 8.5,878 5.35,879 3.694,880 1.535,881 3.178,882 1.492,883 1.048,884 2.217,885 9.634,886 3.332,887 4.021,888 4.702,889 5.367,890 5.91,891 6.241,892 6.661,893 7.117,894 7.293,895 7.507,896 0.8,897 26,898 6.201,900 2.622,901 7.706,902 11.755,904 9.539,905 2.206,906 37.5,907 0.002,910 94.169,911 71.093,912 99.794,917 71.093,918 94.169,919 99.794,920 8.825,922 70.802,923 62.005,924 35.941,925 5.085,926 82.398,928 94.169,929 170.887,933 95.884,937 34.107,938 84.831,939 50.234,941 94.169,942 99.794,943 71.093,946 94.169,947 15.744,948 55.349,949 16.663,950 83.131,951 94.169,952 99.794,953 71.093,955 0.586,956 0.349,957 0.194,958 0.107,959 15,960 6,961 0.033,962 1,963 1,964 1.133,965 2.94,966 124.321,967 0.133,968 15,969 65.487,974 10.088,975 3.736,976 1.619,977 1.365,978 83.131,979 9.546,980 12.184,981 2.958,984 3.541,986 49.56,987 265.056,988 27,999 28.16,1000 31.737,1001 0.311,1002 0.769,1003 0.861,1004 0.89,1005 0.89,1006 0.89,1007 4.543,1008 0.742,1009 5.389,1010 2.275,1011 4.007,1012 4.705,1014 6.229,1015 3.942,1016 5.784,1017 -0.161,1018 6.963,1019 1.802,1020 3.611,1021 4.559,1023 7.213,1024 3.53,1025 7.11,1026 -0.346,1027 8.642,1028 -0.361,1029 5.617,1030 7.031,1032 10.351,1033 5.499,1034 8.479,1035 -0.854,1036 10.384,1037 -0.788,1038 6.066,1039 7.764,1041 12.226,1042 5.934,1043 9.882,1044 -1,1045 12.169,1046 -2.258,1047 7.545,1048 9.676,1050 14.892,1051 7.381,1052 11.312,1053 -1.225,1054 13.985,1055 -3,1056 8.385,1057 10.83,1059 17.117,1060 8.2,1061 12.762,1062 -1.361,1063 15.825,1064 -3.118,1065 9.661,1066 12.511,1068 19.632,1069 9.447,1070 3.229,1071 -1.554,1072 17.682,1073 -3.328,1074 10.683,1075 13.869,1077 21.991,1078 10.442,1079 2.605,1080 11.489,1081 19.554,1082 -4.46,1083 11.883,1084 15.456,1086 24.457,1087 11.613,1088 2.203,1089 8.009,1090 21.437,1091 4.626,1092 12.986,1093 16.907,1095 26.866,1096 12.687,1097 1.989,1098 6.015,1099 23.328,1100 3.646,1101 14.161,1102 18.457,1104 29.315,1105 13.833,1106 1.508,1107 5.676,1108 25.227,1109 2.959,1110 15.299,1111 19.951,1113 31.744,1114 14.942,1115 1.065,1116 4.011,1117 27.131,1118 2.805,1119 16.467,1120 21.487,1122 34.187,1123 16.081,1124 1,1125 2.679,1126 29.04,1127 2.22,1128 17.622,1129 23.001,1131 36.624,1132 17.207,1133 2235,1134 3779,1135 12.83,1136 19.313,1137 29.078,1138 28.54,1139 29.969,1140 28.692,1141 28.683,1142 40.771,1144 83.908,1145 27.669,1146 5.32,1147 5.244,1148 6.428,1149 5.273,1150 5.229,1151 7.626,1153 18.66,1154 5.139,1155 6.745,1156 1.53,1157 1.502,1158 1.577,1159 1.51,1160 1.51,1161 2.146,1163 4.416,1164 1.456,1165 4.108,1166 4.155,1167 4.086,1168 3.985,1169 5.282,1170 4.001,1171 3.84,1172 3.878,1173 3.778,1174 3.738,1175 4.92,1176 3.748,1177 3.342,1178 3.435,1179 3.268,1180 3.114,1181 4.712,1182 3.131,1183 3.111,1184 3.208,1185 2.965,1186 2.862,1187 4.483,1188 2.881,1189 2.972,1190 3.087,1191 2.817,1192 2.735,1193 3.877,1194 2.715,1195 2.854,1196 2.925,1197 2.687,1198 2.673,1199 3.674,1200 2.706,1201 2.479,1202 2.572,1203 2.287,1204 2.284,1205 3.651,1206 2.266,1207 2.329,1208 2.436,1209 2.17,1210 2.007,1211 3.249,1212 2.035,1213 0.246,1214 0.171,1215 0.362,1216 0.221,1217 0.17,1218 4.666,1219 0.243,1220 3.244,1222 6.884,1223 0.605,1224 4.201,1225 0.165,1226 3.229,1227 4.626,1229 11.489,1230 3.139,1231 1.955,1232 1.93,1233 2.056,1234 2.04,1235 1.177,1236 2.043,1237 1.754,1238 1.714,1239 1.817,1240 1.93,1241 0.893,1242 1.903,1243 1.355,1244 1.28,1245 1.563,1246 1.654,1247 0.594,1248 1.617,1249 1.074,1250 0.974,1251 1.335,1252 1.363,1253 0.261,1254 1.387,1255 0.886,1256 0.821,1257 1.181,1258 1.226,1259 0.218,1260 1.218,1261 0.809,1262 0.725,1263 1.149,1264 1.062,1266 1.107,1267 0.783,1268 0.665,1269 0.972,1270 1.005,1272 1.003,1273 0.378,1274 0.284,1275 0.737,1276 0.61,1278 0.659,1279 3.664,1281 4.99,1282 2.398,1283 6.524,1284 4.727,1285 8.151,1286 6.862,1287 9.827,1289 2.048,1293 5.858,1305 18.687,1306 41.923,1307 103.487,1308 115.851,1309 119.851,1310 119.851,1311 119.851,1312 17.137,1313 6.455,1314 80.48,1315 80.48,1316 17,1317 12.189,1318 4.087,1319 3.17,1320 23.646,1321 41,1322 45,1323 0.294,1324 117.178,1325 182.9,1326 277.674,1327 4495,1329 11.828,1330 0.696,1331 0.547,1332 11.828,1333 9.306,1334 8.254,1335 0.434,1336 0.277,1337 5.198,1338 7.955,1339 5.048,1340 4.229,1341 8.254,1342 5.271,1343 7.507,1344 0.278,1345 0.145,1346 7.507,1347 3.922,1348 6.467,1349 0.175,1350 0.074,1351 6.467,1352 2.72,1353 5.523,1354 0.11,1355 0.036,1356 5.523,1357 1.808,1358 4.424,1359 0.073,1360 0.02,1361 4.424,1362 1.19,1363 0.436,1364 51.629,1365 0.279,1366 16.737,1367 0.885,1368 92,1369 256.58,1370 100.076,1371 258.402,1372 364.28,1373 242,1374 110,1375 283.226,1376 118.77,1377 290.123,1378 422.82,1379 272,1380 5.071}
{0 CHEMBL1241143,1 1.497,2 6.353,3 2.116,4 4.479,5 66.099,6 8.046,7 0.842,8 3.474,9 3.612,10 3.113,11 3.022,12 4.688,13 3.025,14 3.919,15 4.09,16 3.463,17 3.394,18 5.086,19 3.379,20 4.042,21 4.215,22 3.461,23 3.459,24 5.159,25 3.419,26 4.144,27 4.376,28 3.391,29 3.387,30 5.274,31 3.328,32 4.055,33 4.307,34 3.113,35 3.239,36 5.081,37 3.159,38 3.845,39 4.101,40 2.921,41 3.024,42 4.903,43 2.953,44 3.683,45 3.964,46 2.492,47 2.752,48 4.673,49 2.618,50 3.268,51 3.583,52 1.567,53 2.208,54 4.2,55 2.017,56 0.063,57 0.482,58 5.012,59 2.031,60 7.8,61 2.621,62 0.13,63 0.723,64 8.747,65 3.498,66 13.399,67 4.679,68 0.073,69 0.793,70 9.787,71 4.049,72 9.657,73 5.486,74 0.221,75 0.815,76 12.818,77 4.405,78 23.842,79 6.265,80 0.167,81 0.706,82 12.312,83 3.701,84 19.998,85 5.374,86 0.149,87 0.57,88 10.081,89 2.873,90 17.969,91 4.197,92 0.113,93 0.445,94 9.077,95 2.751,96 15.837,97 4.114,98 0.137,99 0.267,100 6.435,101 1.486,102 17.58,103 2.254,104 5,105 27,106 0.285,107 0.704,108 0.816,109 0.87,110 0.87,111 0.87,112 2.911,113 0.832,114 -4.09,115 -4.04,116 -3.82,119 42.9,120 1,142 4,143 3,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 7,174 2,175 3,177 1,178 1,180 3,183 9,185 1,187 1,190 1,192 2,195 7,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 3,209 1,212 6,217 4,220 2,222 2,224 6,229 2,234 2,237 4,242 2,247 2,275 288,276 11.569,277 11.569,278 11.569,279 11.569,280 11.569,281 9.654,282 5.588,283 6.781,284 11.791,285 9.382,286 9.382,287 9.382,288 9.382,289 9.382,290 6.578,291 3.971,292 3.202,293 9.727,294 3.31,295 1.111,296 0.527,297 0.241,298 0.241,299 0.241,300 3.586,304 1,305 1,306 234,307 1.732,310 29.314,311 82.356,314 56.484,318 0.962,319 11.39,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 36.5,331 108,332 4.668,333 3.248,334 6.886,335 4.204,336 3.231,337 4.627,339 11.497,340 3.143,341 4.047,342 2.708,343 5.877,344 3.615,345 2.631,346 3.675,348 8.142,349 2.59,350 3.51,351 2.267,352 5.043,353 3.111,354 2.136,355 2.882,357 5.916,358 2.082,359 3.414,360 2.051,361 5.015,362 2.912,363 1.984,364 2.799,366 5.672,367 1.837,368 2.964,369 1.527,370 4.324,371 2.445,372 1.492,373 2.178,375 3.874,376 1.419,377 2.681,378 1.223,379 3.8,380 2.183,381 1.204,382 1.766,384 2.742,385 1.177,386 2.5,387 1,388 3.472,389 1.96,390 1,391 1.5,393 2.457,394 0.958,395 2.159,396 0.753,397 3.305,398 1.663,399 0.708,400 1.01,402 1.755,403 0.674,404 1.049,405 -0.13,406 2.486,407 0.626,408 -0.307,409 -0.395,411 -0.707,412 -0.282,413 0.952,414 -0.185,415 2.364,416 0.579,417 -0.402,418 -0.51,420 -0.896,421 -0.399,422 0.765,423 -0.612,424 2,425 0.341,426 -0.633,427 -0.854,428 -1.74,429 -0.616,430 0.5,431 -1,432 2,433 -0.038,434 -1,435 -1.5,436 -2.675,437 -0.954,438 0.081,439 -1.182,440 1.861,441 -0.335,442 -1.276,443 -1.725,445 -3.312,446 -1.189,447 -0.086,448 -1.238,449 1.527,450 -0.408,451 -1.382,452 -1.844,454 -3.409,455 -1.356,456 -0.134,457 -1.52,458 1.257,459 -0.589,460 -1.547,461 -2.167,463 -4.463,464 -1.483,465 8,466 0.471,467 0.418,468 0.025,469 25.75,470 1.515,471 14.5,472 0.853,473 11.25,474 0.662,475 9.532,476 0.561,477 17.2,478 0.614,479 15.407,480 0.906,481 5.159,482 0.303,483 3.095,484 0.182,485 0.113,487 0.375,493 0.956,494 1.083,495 0.742,496 0.855,497 1.132,498 0.78,499 0.676,500 0.919,501 0.689,502 0.843,503 0.611,504 0.782,505 0.766,506 1.351,507 0.92,508 1.272,509 0.808,510 1.149,511 0.706,512 0.971,513 0.919,514 1.056,515 0.724,516 1.029,517 1.308,518 1.059,519 1.156,520 1.019,521 1.05,522 1.054,523 1.41,524 0.99,525 1.141,526 0.912,527 1.305,528 0.968,529 1.14,530 1.083,531 1.194,532 1.15,533 1.137,534 1.176,535 1.955,536 0.522,537 1.704,538 0.825,539 2.378,540 1.149,541 3,543 2,544 1.313,545 1.006,546 0.295,547 0.279,548 0.099,549 0.02,551 2226,552 6046,553 2.127,554 39.3,555 3,556 4,558 1,559 3,564 1.574,565 2,566 2.734,567 1.251,569 1,571 1,573 41.923,574 1.497,575 3.696,576 4.28,577 4.566,578 4.566,579 4.566,580 2.162,581 3.852,582 4.064,583 2.792,584 379.759,585 6.891,586 3335.39,588 1,590 1,591 134.606,592 1.379,593 4.023,594 0.158,596 0.074,597 0.05,598 0.044,599 0.017,600 0.02,601 0.012,602 0.01,604 0.386,605 0.67,606 1,607 0.604,608 68.429,609 -0.049,610 0.069,611 0.026,612 0.09,613 -0.23,614 0.074,615 0.201,616 0.161,617 0.147,618 0.129,619 0.165,620 0.129,621 0.032,622 -0.317,623 -0.084,624 -0.29,625 -0.045,626 -0.222,627 0.303,628 0.005,629 0.046,630 -0.107,631 0.261,632 -0.08,633 -0.266,634 -0.112,635 -0.16,636 -0.077,637 -0.104,638 -0.097,639 -0.31,640 -0.036,641 -0.133,642 0.016,643 -0.205,644 -0.02,645 -0.156,646 -0.222,647 -0.135,648 -0.18,649 -0.043,650 -0.158,651 -0.677,652 0.361,653 -0.577,654 0.072,655 -0.855,656 -0.179,657 1.222,658 1.866,659 0.882,660 8.879,661 1.006,662 1.133,663 2.859,664 8.175,665 0.69,666 2.996,667 3.332,668 3.638,669 3.951,670 4.127,671 4.143,672 4.205,673 4.263,674 4.143,675 4.007,676 4.002,677 0.667,678 225.28,679 2.996,680 4.533,681 5.398,682 6.293,683 7.179,684 8.081,685 8.973,686 9.878,687 10.775,688 11.68,689 17.9,693 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 1,731 28,733 16,734 1,735 19,737 30,738 12,739 11,740 2,741 4,746 3,747 4,752 1,761 11,762 1,778 1,781 11,782 4,783 3,784 5,790 5,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 1,848 17,849 1,877 8.5,878 5.35,879 3.694,880 1.535,881 3.189,882 1.494,883 1.048,884 2.217,885 9.644,886 3.332,887 4.021,888 4.702,889 5.377,890 5.91,891 6.241,892 6.667,893 7.104,894 7.278,895 7.53,896 1,897 26,898 6.201,900 2.622,901 7.706,902 11.755,904 9.539,905 2.206,906 37.5,907 0.002,910 94.169,911 71.093,912 99.794,917 71.093,918 94.169,919 99.794,920 8.825,922 70.802,923 62.005,924 35.941,925 5.085,926 82.398,928 94.169,929 170.887,933 95.884,937 34.107,938 84.831,939 50.234,941 94.169,942 99.794,943 71.093,946 94.169,947 15.744,948 55.349,949 16.663,950 83.131,951 94.169,952 99.794,953 71.093,955 0.584,956 0.348,957 0.201,958 0.107,959 15,960 6,961 0.033,962 1,963 1,964 1.133,965 2.925,966 124.964,967 0.133,968 15,969 67.487,974 10.088,975 3.736,976 1.619,977 1.368,978 83.131,979 9.531,980 12.201,981 2.966,984 3.525,986 49.56,987 265.056,988 27,999 28.16,1000 31.737,1001 0.311,1002 0.769,1003 0.89,1004 0.95,1005 0.95,1006 0.95,1007 4.543,1008 0.708,1009 5.389,1010 2.457,1011 4.007,1012 4.705,1014 6.232,1015 3.942,1016 5.784,1017 -0.307,1018 6.963,1019 1.755,1020 3.611,1021 4.559,1023 7.213,1024 3.53,1025 7.11,1026 -0.402,1027 8.642,1028 -0.707,1029 5.617,1030 7.031,1032 10.363,1033 5.499,1034 8.479,1035 -0.633,1036 10.386,1037 -0.896,1038 6.066,1039 7.764,1041 12.233,1042 5.934,1043 9.883,1044 -1,1045 12.172,1046 -1.74,1047 7.548,1048 9.678,1050 14.906,1051 7.384,1052 11.313,1053 -1.276,1054 13.99,1055 -2.675,1056 8.392,1057 10.834,1059 17.128,1060 8.208,1061 12.764,1062 -1.382,1063 15.83,1064 -3.312,1065 9.669,1066 12.516,1068 19.645,1069 9.457,1070 3.231,1071 -1.547,1072 17.689,1073 -3.409,1074 10.694,1075 13.875,1077 22.003,1078 10.456,1079 2.631,1080 11.497,1081 19.561,1082 -4.463,1083 11.895,1084 15.462,1086 24.469,1087 11.629,1088 2.136,1089 8.142,1090 21.444,1091 4.627,1092 13,1093 16.914,1095 26.878,1096 12.705,1097 1.984,1098 5.916,1099 23.336,1100 3.675,1101 14.175,1102 18.464,1104 29.327,1105 13.852,1106 1.492,1107 5.672,1108 25.235,1109 2.882,1110 15.315,1111 19.958,1113 31.756,1114 14.963,1115 1.204,1116 3.874,1117 27.139,1118 2.799,1119 16.483,1120 21.494,1122 34.2,1123 16.103,1124 1,1125 2.742,1126 29.048,1127 2.178,1128 17.639,1129 23.007,1131 36.636,1132 17.23,1133 2191,1134 3717,1135 12.83,1136 19.313,1137 29.149,1138 28.644,1139 29.969,1140 28.775,1141 28.773,1142 40.876,1144 84.113,1145 27.757,1146 5.323,1147 5.248,1148 6.439,1149 5.276,1150 5.231,1151 7.627,1153 18.697,1154 5.143,1155 6.617,1156 1.534,1157 1.508,1158 1.577,1159 1.514,1160 1.514,1161 2.151,1163 4.427,1164 1.461,1165 4.109,1166 4.155,1167 4.087,1168 3.986,1169 5.282,1170 4.002,1171 3.838,1172 3.877,1173 3.776,1174 3.736,1175 4.92,1176 3.746,1177 3.332,1178 3.428,1179 3.26,1180 3.09,1181 4.712,1182 3.11,1183 3.143,1184 3.233,1185 2.965,1186 2.951,1187 4.483,1188 2.95,1189 2.998,1190 3.108,1191 2.876,1192 2.711,1193 3.891,1194 2.748,1195 2.774,1196 2.848,1197 2.635,1198 2.604,1199 3.748,1200 2.606,1201 2.486,1202 2.591,1203 2.221,1204 2.285,1205 3.53,1206 2.249,1207 2.334,1208 2.437,1209 2.184,1210 2.034,1211 3.195,1212 2.063,1213 0.246,1214 0.171,1215 0.362,1216 0.221,1217 0.17,1218 4.668,1219 0.244,1220 3.248,1222 6.886,1223 0.605,1224 4.204,1225 0.165,1226 3.231,1227 4.627,1229 11.497,1230 3.143,1231 1.955,1232 1.931,1233 2.056,1234 2.04,1235 1.18,1236 2.043,1237 1.752,1238 1.712,1239 1.814,1240 1.93,1241 0.883,1242 1.902,1243 1.335,1244 1.257,1245 1.559,1246 1.646,1247 0.598,1248 1.604,1249 1.15,1250 1.066,1251 1.39,1252 1.39,1253 0.336,1254 1.427,1255 0.881,1256 0.795,1257 1.169,1258 1.243,1259 0.067,1260 1.233,1261 0.784,1262 0.683,1263 1.043,1264 1.062,1266 1.063,1267 0.658,1268 0.565,1269 0.95,1270 0.87,1272 0.905,1273 0.508,1274 0.41,1275 0.87,1276 0.746,1278 0.797,1279 3.664,1281 4.99,1282 2.398,1283 6.524,1284 4.727,1285 8.153,1286 6.862,1287 9.832,1289 2.044,1293 5.866,1305 18.687,1306 41.923,1307 103.487,1308 119.851,1309 127.851,1310 127.851,1311 127.851,1312 17.14,1313 6.455,1314 80.48,1315 80.48,1316 17,1317 12.2,1318 4.087,1319 3.17,1320 23.578,1321 40,1322 36,1323 0.302,1324 117.178,1325 182.9,1326 277.674,1327 4495,1329 11.828,1330 0.696,1331 0.547,1332 11.828,1333 9.306,1334 8.254,1335 0.434,1336 0.277,1337 5.198,1338 7.955,1339 5.047,1340 4.231,1341 8.254,1342 5.271,1343 7.519,1344 0.278,1345 0.145,1346 7.519,1347 3.926,1348 6.383,1349 0.173,1350 0.073,1351 6.383,1352 2.687,1353 5.679,1354 0.111,1355 0.037,1356 5.679,1357 1.888,1358 4.399,1359 0.072,1360 0.019,1361 4.399,1362 1.177,1363 0.443,1364 51.629,1365 0.279,1366 16.64,1367 0.921,1368 92,1369 256.58,1370 100.076,1371 258.467,1372 364.3,1373 242,1374 110,1375 283.226,1376 118.77,1377 290.257,1378 423.05,1379 272,1380 5.377}
{0 CHEMBL1241144,1 1.497,2 6.294,3 2.116,4 4.479,5 66.099,6 8.046,7 0.842,8 3.474,9 3.612,10 3.113,11 3.022,12 4.689,13 3.025,14 3.919,15 4.09,16 3.463,17 3.394,18 5.082,19 3.379,20 4.042,21 4.215,22 3.487,23 3.471,24 5.152,25 3.437,26 4.149,27 4.36,28 3.437,29 3.431,30 5.301,31 3.375,32 4.155,33 4.417,34 3.17,35 3.314,36 5.157,37 3.23,38 3.955,39 4.227,40 2.947,41 3.066,42 5.003,43 2.976,44 3.637,45 3.921,46 2.304,47 2.661,48 4.7,49 2.532,50 3.197,51 3.549,52 1.167,53 2.094,54 3.829,55 1.791,56 0.063,57 0.482,58 5.012,59 2.031,60 7.841,61 2.621,62 0.13,63 0.723,64 8.747,65 3.498,66 13.587,67 4.679,68 0.076,69 0.796,70 9.853,71 4.049,72 9.125,73 5.491,74 0.197,75 0.842,76 12.092,77 4.407,78 21.863,79 6.143,80 0.205,81 0.77,82 13.98,83 4.048,84 22.15,85 5.92,86 0.149,87 0.615,88 11.755,89 3.447,90 20.2,91 5.153,92 0.177,93 0.428,94 8.63,95 2.01,96 23.335,97 2.976,98 0.078,99 0.212,100 6.69,101 2.166,102 11.446,103 3.36,104 5,105 27,106 0.285,107 0.704,108 0.802,109 0.856,110 0.87,111 0.87,112 2.911,113 0.833,114 -4.09,115 -4.04,116 -3.82,119 42.9,120 1,142 4,143 3,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 7,174 2,175 3,177 1,178 1,180 3,183 9,185 1,187 1,190 1,192 2,195 7,198 1,199 4,201 2,202 3,203 1,204 4,206 1,207 4,209 1,212 7,217 3,220 1,222 2,224 7,229 3,234 3,237 2,242 1,247 1,275 285,276 11.621,277 11.621,278 11.621,279 11.621,280 11.621,281 9.678,282 5.588,283 6.818,284 11.843,285 9.366,286 9.366,287 9.366,288 9.366,289 9.366,290 6.556,291 3.971,292 3.193,293 9.71,294 3.31,295 1.111,296 0.598,297 0.313,298 0.241,299 0.241,300 3.586,304 1,305 1,306 232,307 1.732,310 28.675,311 81.708,314 55.403,318 0.9,319 11.388,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 36.5,331 107,332 4.684,333 3.281,334 6.931,335 4.231,336 3.256,337 4.637,339 11.659,340 3.177,341 4.139,342 2.816,343 6.171,344 3.711,345 2.729,346 3.786,348 8.909,349 2.677,350 3.432,351 2.108,352 5.044,353 2.949,354 2.017,355 2.816,357 5.687,358 1.881,359 3.317,360 1.933,361 4.981,362 2.83,363 1.879,364 2.672,366 5.382,367 1.781,368 2.865,369 1.499,370 4.048,371 2.414,372 1.414,373 2.028,375 3.286,376 1.414,377 2.786,378 1.325,379 3.756,380 2.27,381 1.319,382 1.915,384 2.968,385 1.251,386 2.5,387 1,388 3.578,389 1.961,390 1,391 1.5,393 2.505,394 0.958,395 2.171,396 0.765,397 3.302,398 1.679,399 0.721,400 1.029,402 1.758,403 0.689,404 1.134,405 0.06,406 2.498,407 0.818,408 -0.165,409 -0.203,411 -0.372,412 -0.161,413 1.031,414 -0.216,415 2.364,416 0.57,417 -0.347,418 -0.457,420 -0.791,421 -0.319,422 0.685,423 -0.701,424 2,425 0.237,426 -0.747,427 -1.026,428 -1.839,429 -0.732,430 0.5,431 -1,432 2,433 -0.039,434 -1,435 -1.5,436 -2.596,437 -0.956,438 0.064,439 -1.194,440 1.862,441 -0.371,442 -1.293,443 -1.733,445 -3.316,446 -1.197,447 -0.107,448 -1.255,449 1.575,450 -0.414,451 -1.414,452 -1.892,454 -3.459,455 -1.414,456 -0.128,457 -1.512,458 1.257,459 -0.579,460 -1.532,461 -2.133,463 -4.464,464 -1.454,465 8,466 0.471,467 0.401,468 0.024,469 25.75,470 1.515,471 14.5,472 0.853,473 11.25,474 0.662,475 9.669,476 0.569,477 17.2,478 0.614,479 15.45,480 0.909,481 5.174,482 0.304,483 3.096,484 0.182,485 0.113,487 0.375,493 0.956,494 1.083,495 0.742,496 0.855,497 1.126,498 0.78,499 0.676,500 0.919,501 0.689,502 0.843,503 0.633,504 0.782,505 0.756,506 1.298,507 0.855,508 1.187,509 0.753,510 1.065,511 0.694,512 1.11,513 0.996,514 1.217,515 0.746,516 1.168,517 1.371,518 0.967,519 1.165,520 0.938,521 1.069,522 1.002,523 1.195,524 1.091,525 1.051,526 1.006,527 1.062,528 1.005,529 1.998,530 0.79,531 1.666,532 0.942,533 2.314,534 1.192,535 0.581,536 0.613,537 1.018,538 0.974,539 0.862,540 1.051,541 2.5,543 2.222,544 1.438,545 0.961,546 0.511,547 0.123,548 0.104,551 2178,552 5962,553 2.127,554 39.3,555 3,556 4,558 1,559 3,564 1.576,565 2,566 2.695,567 1.251,569 1,571 1,573 41.923,574 1.497,575 3.696,576 4.209,577 4.495,578 4.566,579 4.566,580 2.095,581 3.97,582 4.064,583 2.739,584 372.51,585 6.901,586 3270.86,588 1,590 1,591 134.606,592 1.379,593 4.023,594 0.132,596 0.082,597 0.053,598 0.04,599 0.028,600 0.009,601 0.017,604 0.362,605 0.67,606 1,607 0.604,608 68.081,609 -0.049,610 0.069,611 0.026,612 0.09,613 -0.224,614 0.074,615 0.201,616 0.161,617 0.147,618 0.129,619 0.142,620 0.129,621 0.042,622 -0.261,623 -0.017,624 -0.202,625 0.007,626 -0.135,627 0.287,628 -0.104,629 -0.077,630 -0.273,631 0.205,632 -0.243,633 -0.299,634 -0.029,635 -0.15,636 0.001,637 -0.143,638 -0.04,639 -0.155,640 -0.195,641 -0.005,642 -0.053,643 0.048,644 -0.013,645 -0.682,646 0.165,647 -0.608,648 -0.077,649 -0.774,650 -0.283,651 0.13,652 0.04,653 0.191,654 0.125,655 0.032,656 0.16,657 1.22,658 1.878,659 0.882,660 8.692,661 1.006,662 1.133,663 2.859,664 8.175,665 0.69,666 2.996,667 3.332,668 3.664,669 3.97,670 4.143,671 4.159,672 4.19,673 4.234,674 4.127,675 3.989,676 3.898,677 0.667,678 225.28,679 2.996,680 4.533,681 5.407,682 6.304,683 7.198,684 8.103,685 9.003,686 9.911,687 10.814,688 11.723,689 17.9,693 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 1,731 28,733 16,734 1,735 19,737 30,738 12,739 11,740 2,741 4,746 3,747 4,752 1,761 11,762 1,778 1,781 11,782 4,783 3,784 5,790 5,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 1,848 17,849 1,877 8.5,878 5.35,879 3.722,880 1.542,881 3.222,882 1.499,883 1.048,884 2.217,885 9.678,886 3.332,887 4.021,888 4.715,889 5.388,890 5.92,891 6.248,892 6.661,893 7.085,894 7.266,895 7.512,896 1,897 27,898 6.202,900 2.622,901 7.706,902 11.755,904 9.544,905 2.206,906 37.5,907 0.002,910 94.169,911 71.093,912 99.794,917 71.093,918 94.169,919 99.794,920 8.825,922 70.802,923 62.005,924 35.941,925 5.085,926 82.398,928 94.169,929 170.887,933 95.884,937 34.107,938 84.831,939 50.234,941 94.169,942 99.794,943 71.093,946 94.169,947 15.744,948 55.349,949 16.663,950 83.131,951 94.169,952 99.794,953 71.093,955 0.584,956 0.359,957 0.207,958 0.108,959 15,960 6,961 0.033,962 1,963 1,964 1.133,965 2.904,966 125.971,967 0.133,968 15,969 67.487,974 10.088,975 3.736,976 1.53,977 1.373,978 83.131,979 9.461,980 12.227,981 2.979,984 3.538,986 49.56,987 265.056,988 27,999 28.16,1000 31.737,1001 0.311,1002 0.769,1003 0.876,1004 0.935,1005 0.95,1006 0.95,1007 4.543,1008 0.721,1009 5.398,1010 2.505,1011 4.007,1012 4.705,1014 6.26,1015 3.942,1016 5.784,1017 -0.165,1018 6.986,1019 1.758,1020 3.611,1021 4.559,1023 7.29,1024 3.53,1025 7.113,1026 -0.347,1027 8.682,1028 -0.372,1029 5.631,1030 7.039,1032 10.452,1033 5.515,1034 8.488,1035 -0.747,1036 10.445,1037 -0.791,1038 6.111,1039 7.793,1041 12.359,1042 5.985,1043 9.9,1044 -1,1045 12.25,1046 -1.839,1047 7.594,1048 9.702,1050 15.039,1051 7.438,1052 11.339,1053 -1.293,1054 14.086,1055 -2.596,1056 8.468,1057 10.875,1059 17.277,1060 8.298,1061 12.799,1062 -1.414,1063 15.942,1064 -3.316,1065 9.747,1066 12.554,1068 19.802,1069 9.55,1070 3.256,1071 -1.532,1072 17.814,1073 -3.459,1074 10.792,1075 13.921,1077 22.168,1078 10.575,1079 2.729,1080 11.659,1081 19.697,1082 -4.464,1083 11.996,1084 15.506,1086 24.643,1087 11.755,1088 2.017,1089 8.909,1090 21.589,1091 4.637,1092 13.113,1093 16.962,1095 27.059,1096 12.848,1097 1.879,1098 5.687,1099 23.489,1100 3.786,1101 14.293,1102 18.51,1104 29.518,1105 14.003,1106 1.414,1107 5.382,1108 25.394,1109 2.816,1110 15.441,1111 20.005,1113 31.956,1114 15.127,1115 1.319,1116 3.286,1117 27.303,1118 2.672,1119 16.614,1120 21.54,1122 34.411,1123 16.275,1124 1,1125 2.968,1126 29.216,1127 2.028,1128 17.776,1129 23.055,1131 36.858,1132 17.412,1133 2148,1134 3656,1135 12.83,1136 19.313,1137 29.053,1138 28.55,1139 30.149,1140 28.681,1141 28.672,1142 40.766,1144 84.309,1145 27.658,1146 5.345,1147 5.281,1148 6.616,1149 5.304,1150 5.256,1151 7.637,1153 19.046,1154 5.177,1155 6.462,1156 1.529,1157 1.503,1158 1.587,1159 1.51,1160 1.509,1161 2.146,1163 4.437,1164 1.456,1165 4.111,1166 4.157,1167 4.089,1168 3.99,1169 5.281,1170 4.006,1171 3.834,1172 3.873,1173 3.773,1174 3.729,1175 4.92,1176 3.74,1177 3.316,1178 3.415,1179 3.248,1180 3.045,1181 4.713,1182 3.074,1183 3.169,1184 3.257,1185 2.965,1186 3.007,1187 4.482,1188 2.993,1189 3.003,1190 3.113,1191 2.895,1192 2.712,1193 3.898,1194 2.749,1195 2.784,1196 2.859,1197 2.639,1198 2.62,1199 3.752,1200 2.618,1201 2.482,1202 2.578,1203 2.27,1204 2.284,1205 3.549,1206 2.262,1207 2.33,1208 2.436,1209 2.173,1210 2.009,1211 3.24,1212 2.038,1213 0.247,1214 0.173,1215 0.365,1216 0.223,1217 0.171,1218 4.684,1219 0.244,1220 3.281,1222 6.931,1223 0.614,1224 4.231,1225 0.167,1226 3.256,1227 4.637,1229 11.659,1230 3.177,1231 1.958,1232 1.934,1233 2.057,1234 2.042,1235 1.19,1236 2.045,1237 1.748,1238 1.707,1239 1.809,1240 1.928,1241 0.862,1242 1.9,1243 1.293,1244 1.212,1245 1.553,1246 1.628,1247 0.603,1248 1.577,1249 1.206,1250 1.124,1251 1.417,1252 1.418,1253 0.352,1254 1.469,1255 0.881,1256 0.795,1257 1.169,1258 1.248,1259 0.114,1260 1.236,1261 0.784,1262 0.687,1263 1.077,1264 1.062,1266 1.065,1267 0.72,1268 0.625,1269 0.969,1270 0.927,1272 0.96,1273 0.393,1274 0.299,1275 0.743,1276 0.622,1278 0.669,1279 3.664,1281 4.99,1282 2.398,1283 6.532,1284 4.727,1285 8.174,1286 6.862,1287 9.865,1289 2.044,1293 5.878,1305 18.687,1306 41.923,1307 103.487,1308 117.851,1309 125.851,1310 127.851,1311 127.851,1312 17.307,1313 6.455,1314 80.48,1315 80.48,1316 17,1317 12.24,1318 4.087,1319 3.17,1320 23.526,1321 39,1322 34,1323 0.31,1324 117.178,1325 182.9,1326 277.674,1327 4495,1329 11.828,1330 0.696,1331 0.547,1332 11.828,1333 9.306,1334 8.271,1335 0.435,1336 0.278,1337 5.204,1338 7.972,1339 5.057,1340 4.234,1341 8.271,1342 5.277,1343 7.412,1344 0.275,1345 0.143,1346 7.412,1347 3.871,1348 6.529,1349 0.172,1350 0.074,1351 6.529,1352 2.795,1353 5.739,1354 0.11,1355 0.037,1356 5.739,1357 1.927,1358 4.433,1359 0.071,1360 0.019,1361 4.433,1362 1.195,1363 0.452,1364 51.73,1365 0.279,1366 16.556,1367 0.963,1368 92,1369 256.58,1370 100.076,1371 258.15,1372 364.78,1373 242,1374 111,1375 284.226,1376 119.77,1377 290.724,1378 425.03,1379 273,1380 4.824}
{0 CHEMBL1241145,1 1.476,2 6.389,3 2.603,4 6.773,5 71.14,6 7.72,7 0.8,8 3.56,9 3.7,10 3.164,11 3.104,12 4.743,13 3.096,14 4.024,15 4.209,16 3.527,17 3.485,18 5.139,19 3.46,20 4.14,21 4.305,22 3.584,23 3.599,24 5.236,25 3.558,26 4.315,27 4.523,28 3.526,29 3.61,30 5.423,31 3.528,32 4.385,33 4.671,34 3.275,35 3.489,36 5.295,37 3.373,38 4.114,39 4.385,40 3.118,41 3.243,42 5.126,43 3.154,44 3.907,45 4.189,46 2.642,47 2.939,48 4.946,49 2.812,50 3.54,51 3.874,52 1.642,53 2.429,54 4.378,55 2.188,56 0.056,57 0.52,58 5.989,59 2.363,60 8.138,61 3.198,62 0.132,63 0.785,64 10.673,65 4.107,66 13.887,67 5.717,68 0.056,69 0.885,70 11.346,71 4.669,72 7.423,73 6.463,74 0.183,75 0.98,76 14.789,77 5.562,78 22.907,79 7.883,80 0.211,81 0.915,82 18.847,83 5.618,84 26.273,85 8.624,86 0.154,87 0.724,88 13.892,89 3.971,90 20.485,91 6.118,92 0.175,93 0.565,94 11.452,95 2.84,96 24.687,97 4.448,98 0.146,99 0.332,100 8.771,101 2.26,102 20.098,103 3.583,104 10,105 29,106 0.276,107 0.69,108 0.779,109 0.819,110 0.855,111 0.855,112 2.963,113 0.854,114 -4.36,115 -4.29,116 -4.05,119 41.9,120 2,142 3,143 4,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 8,174 2,175 3,177 1,178 1,180 3,183 11,185 1,187 1,190 1,192 2,195 10,198 1,199 4,201 2,202 3,203 1,204 4,206 1,207 5,209 1,212 7,217 4,220 2,222 2,224 8,229 3,234 3,237 4,242 2,247 2,275 332,276 12.121,277 12.121,278 12.121,279 12.121,280 12.121,281 10.125,282 6.445,283 6.962,284 12.343,285 9.823,286 9.823,287 9.823,288 9.823,289 9.823,290 6.939,291 4.58,292 3.236,293 10.168,294 3.478,295 1.259,296 0.783,297 0.565,298 0.371,299 0.371,300 3.636,303 1,304 1,305 1,306 247,307 1.871,310 31.017,311 88.592,314 59.906,318 0.944,319 12.055,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 38.5,331 115,332 4.694,333 3.312,334 6.951,335 4.25,336 3.272,337 4.642,339 11.722,340 3.203,341 4.269,342 2.985,343 6.353,344 3.844,345 2.86,346 3.963,348 9.443,349 2.812,350 3.534,351 2.276,352 5.465,353 3.138,354 2.169,355 2.906,357 6.626,358 2.102,359 3.415,360 2.052,361 5.034,362 2.912,363 1.984,364 2.801,366 5.675,367 1.837,368 2.965,369 1.6,370 4.494,371 2.449,372 1.498,373 2.178,375 4.043,376 1.42,377 2.865,378 1.489,379 3.897,380 2.414,381 1.414,382 2.026,384 3.176,385 1.414,386 2.557,387 1.122,388 3.787,389 2.026,390 1.081,391 1.584,393 2.707,394 1.018,395 2.194,396 0.827,397 3.319,398 1.72,399 0.76,400 1.067,402 1.834,403 0.728,404 1.346,405 0.441,406 2.696,407 1.11,408 0.12,409 0.14,411 0.269,412 0.118,413 1.048,414 -0.175,415 2.366,416 0.622,417 -0.309,418 -0.397,420 -0.709,421 -0.284,422 0.927,423 -0.356,424 2.358,425 0.496,426 -0.473,427 -0.637,428 -1.135,429 -0.462,430 0.542,431 -0.846,432 2,433 0.032,434 -0.926,435 -1.286,436 -2.425,437 -0.882,438 0.081,439 -1.12,440 2,441 -0.325,442 -1.265,443 -1.669,445 -3.286,446 -1.173,447 -0.058,448 -1.212,449 1.753,450 -0.408,451 -1.379,452 -1.78,454 -3.399,455 -1.349,456 -0.128,457 -1.282,458 1.302,459 -0.414,460 -1.414,461 -1.928,463 -4,464 -1.414,465 8.5,466 0.472,467 0.49,468 0.027,469 26.25,470 1.458,471 14.5,472 0.806,473 11.75,474 0.653,475 11.738,476 0.652,477 18.5,478 0.597,479 16.157,480 0.898,481 5.231,482 0.291,483 3.451,484 0.192,485 0.165,487 0.412,493 0.941,494 1.112,495 0.776,496 0.905,497 1.127,498 0.831,499 0.644,500 0.875,501 0.64,502 0.781,503 0.584,504 0.722,505 0.743,506 1.312,507 0.88,508 1.205,509 0.723,510 1.088,511 0.661,512 1.189,513 1.092,514 1.347,515 0.766,516 1.296,517 1.126,518 0.925,519 0.997,520 0.894,521 0.901,522 0.92,523 1.264,524 1.069,525 1.027,526 0.945,527 1.064,528 0.949,529 1.768,530 0.989,531 1.463,532 1.035,533 1.867,534 1.173,535 1.561,536 0.576,537 1.449,538 0.867,539 1.932,540 1.093,541 3,543 2.667,544 1.625,545 1.152,546 0.542,547 0.301,548 0.127,549 0.02,551 2489,552 6505,553 2.086,554 41.9,555 6,556 3,558 1,559 3,564 1.594,565 1.929,566 2.734,567 1.197,569 1,570 1,571 1,573 45.759,574 1.476,575 3.696,576 4.171,577 4.389,578 4.583,579 4.583,580 2.135,581 4.059,582 4.148,583 2.792,584 427.187,585 7.069,586 3909.09,587 1,588 1,590 1,591 153.58,592 1.481,593 4.09,594 0.15,596 0.092,597 0.054,598 0.044,599 0.027,600 0.018,601 0.014,602 0.01,604 0.41,605 0.5,606 1,607 0.662,608 73.839,609 -0.021,610 0.064,611 0.032,612 0.076,613 -0.205,614 0.064,615 0.239,616 0.206,617 0.237,618 0.218,619 0.203,620 0.226,621 0.038,622 -0.231,623 -0.043,624 -0.194,625 0.02,626 -0.142,627 0.255,628 -0.167,629 -0.187,630 -0.376,631 0.134,632 -0.354,633 -0.131,634 -0.037,635 0.037,636 0.068,637 -0.012,638 0.077,639 -0.176,640 -0.137,641 -0.009,642 -0.011,643 0.003,644 0.011,645 -0.488,646 -0.034,647 -0.428,648 -0.161,649 -0.439,650 -0.264,651 -0.427,652 0.245,653 -0.34,654 0.056,655 -0.574,656 -0.096,657 1.218,658 1.916,659 0.833,660 9.333,661 1.001,662 1.134,663 3.131,664 9.803,665 0.68,666 3.045,667 3.401,668 3.738,669 4.025,670 4.205,671 4.248,672 4.304,673 4.344,674 4.263,675 4.159,676 4.045,677 0.652,678 239.31,679 3.045,680 4.595,681 5.476,682 6.378,683 7.277,684 8.186,685 9.09,686 10.001,687 10.908,688 11.819,689 16.1,693 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,722 1,731 31,733 16,734 1,735 20,737 33,738 13,739 11,740 3,741 3,746 3,747 4,752 2,761 11,762 2,778 1,781 13,782 4,783 3,784 5,790 5,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 18,849 1,877 9.333,878 6.267,879 3.917,880 1.743,881 3.232,882 1.492,883 1.034,884 2.44,885 9.806,886 3.367,887 4.073,888 4.768,889 5.428,890 5.964,891 6.314,892 6.733,893 7.159,894 7.364,895 7.639,896 1,897 30,898 6.577,900 2.771,901 7.676,902 12.529,904 10.191,905 2.176,906 39.167,907 0.001,910 117.711,911 73.627,912 99.794,917 73.627,918 117.711,919 99.794,920 17.65,922 61.326,923 62.005,924 39.127,925 5.085,926 105.94,928 117.711,929 173.422,933 119.426,937 42.932,938 78.54,939 50.234,941 117.711,942 99.794,943 73.627,946 117.711,947 18.93,948 54.698,949 16.663,950 83.131,951 117.711,952 99.794,953 73.627,955 0.592,956 0.368,957 0.202,958 0.104,959 16,960 7,961 0.03,962 1,963 1,964 1.133,965 2.948,966 137.342,967 0.133,968 15,969 70.304,974 11.026,975 3.983,976 1.65,977 1.379,978 83.131,979 7.564,980 12.302,981 3.006,984 4.838,986 49.56,987 291.133,988 28,999 31.043,1000 35.152,1001 0.298,1002 0.746,1003 0.842,1004 0.886,1005 0.925,1006 0.925,1007 4.595,1008 0.76,1009 5.485,1010 2.707,1011 4.078,1012 4.758,1014 6.361,1015 4.016,1016 5.849,1017 0.12,1018 7.089,1019 1.834,1020 3.761,1021 4.691,1023 7.413,1024 3.692,1025 7.191,1026 -0.309,1027 8.799,1028 0.269,1029 5.727,1030 7.108,1032 10.57,1033 5.622,1034 8.576,1035 -0.473,1036 10.571,1037 -0.709,1038 6.256,1039 7.904,1041 12.467,1042 6.147,1043 9.995,1044 -0.926,1045 12.382,1046 -1.135,1047 7.708,1048 9.78,1050 15.153,1051 7.569,1052 11.44,1053 -1.265,1054 14.219,1055 -2.425,1056 8.605,1057 10.972,1059 17.378,1060 8.458,1061 12.904,1062 -1.379,1063 16.077,1064 -3.286,1065 9.871,1066 12.633,1068 19.908,1069 9.699,1070 3.272,1071 -1.414,1072 17.948,1073 -3.399,1074 10.925,1075 14.007,1077 22.266,1078 10.738,1079 2.86,1080 11.722,1081 19.831,1082 -4,1083 12.124,1084 15.582,1086 24.743,1087 11.915,1088 2.169,1089 9.443,1090 21.722,1091 4.642,1092 13.245,1093 17.038,1095 27.156,1096 13.017,1097 1.984,1098 6.626,1099 23.62,1100 3.963,1101 14.423,1102 18.58,1104 29.617,1105 14.172,1106 1.498,1107 5.675,1108 25.523,1109 2.906,1110 15.572,1111 20.073,1113 32.054,1114 15.301,1115 1.414,1116 4.043,1117 27.431,1118 2.801,1119 16.745,1120 21.604,1122 34.51,1123 16.452,1124 1.081,1125 3.176,1126 29.343,1127 2.178,1128 17.908,1129 23.115,1131 36.959,1132 17.593,1133 2472,1134 4111,1135 13.235,1136 21.074,1137 30.587,1138 30.624,1139 32.201,1140 30.354,1141 30.317,1142 42.617,1144 90.991,1145 29.303,1146 5.361,1147 5.312,1148 6.496,1149 5.322,1150 5.272,1151 7.642,1153 19.26,1154 5.203,1155 8.293,1156 1.529,1157 1.531,1158 1.61,1159 1.518,1160 1.516,1161 2.131,1163 4.55,1164 1.465,1165 4.115,1166 4.16,1167 4.093,1168 4.001,1169 5.281,1170 4.015,1171 3.86,1172 3.899,1173 3.804,1174 3.753,1175 4.919,1176 3.766,1177 3.332,1178 3.428,1179 3.261,1180 3.091,1181 4.704,1182 3.11,1183 3.179,1184 3.261,1185 2.991,1186 3.036,1187 4.483,1188 3.017,1189 3.118,1190 3.22,1191 2.939,1192 2.884,1193 3.926,1194 2.886,1195 2.986,1196 3.101,1197 2.824,1198 2.682,1199 3.846,1200 2.718,1201 2.616,1202 2.701,1203 2.419,1204 2.437,1205 3.672,1206 2.42,1207 2.337,1208 2.439,1209 2.2,1210 2.096,1211 3.35,1212 2.087,1213 0.235,1214 0.166,1215 0.348,1216 0.213,1217 0.164,1218 4.694,1219 0.232,1220 3.312,1222 6.951,1223 0.586,1224 4.25,1225 0.16,1226 3.272,1227 4.642,1229 11.722,1230 3.203,1231 1.975,1232 1.953,1233 2.075,1234 2.054,1235 1.236,1236 2.059,1237 1.757,1238 1.717,1239 1.816,1240 1.936,1241 0.89,1242 1.906,1243 1.335,1244 1.257,1245 1.569,1246 1.647,1247 0.626,1248 1.605,1249 1.213,1250 1.138,1251 1.547,1252 1.418,1253 0.586,1254 1.471,1255 1.118,1256 1.014,1257 1.382,1258 1.389,1259 0.315,1260 1.426,1261 0.841,1262 0.751,1263 1.159,1264 1.239,1266 1.228,1267 0.784,1268 0.674,1269 0.992,1270 1.033,1272 1.028,1273 0.528,1274 0.437,1275 0.87,1276 0.753,1278 0.799,1279 3.714,1281 5.056,1282 2.398,1283 6.611,1284 4.727,1285 8.263,1286 6.862,1287 9.963,1289 4.161,1293 5.916,1305 20.214,1306 45.759,1307 114.561,1308 129.315,1309 136.07,1310 142.07,1311 142.07,1312 19.622,1313 6.574,1314 80.48,1315 80.48,1316 17,1317 12.334,1318 4.087,1319 3.17,1320 25.513,1321 43,1322 36,1323 0.305,1324 126.77,1325 200.2,1326 301.08,1327 5182,1329 12.698,1330 0.705,1331 0.568,1332 12.698,1333 10.228,1334 8.682,1335 0.434,1336 0.285,1337 5.621,1338 8.383,1339 5.404,1340 4.542,1341 8.682,1342 5.694,1343 7.918,1344 0.273,1345 0.148,1346 7.918,1347 4.304,1348 7.121,1349 0.174,1350 0.079,1351 7.121,1352 3.254,1353 5.986,1354 0.109,1355 0.038,1356 5.986,1357 2.096,1358 4.592,1359 0.07,1360 0.02,1361 4.592,1362 1.298,1363 0.446,1364 54.194,1365 0.275,1366 17.42,1367 0.94,1368 98,1369 264.58,1370 106.076,1371 266.69,1372 377.79,1373 250,1374 119,1375 295.226,1376 127.77,1377 302.926,1378 442.96,1379 284,1380 5.046}
{0 CHEMBL1241240,1 1.434,2 7.95,3 3.031,4 9.184,5 79.724,6 7.226,7 0.727,8 3.712,9 3.856,10 3.258,11 3.251,12 4.843,13 3.226,14 4.209,15 4.403,16 3.65,17 3.662,18 5.262,19 3.62,20 4.415,21 4.595,22 3.679,23 3.824,24 5.452,25 3.74,26 4.65,27 4.926,28 3.598,29 3.809,30 5.615,31 3.677,32 4.509,33 4.799,34 3.257,35 3.608,36 5.39,37 3.452,38 4.179,39 4.481,40 3.039,41 3.276,42 5.055,43 3.147,44 3.765,45 3.988,46 2.907,47 3.056,48 4.743,49 2.972,50 3.852,51 4.099,52 2.859,53 3.073,54 4.751,55 2.971,56 0.064,57 0.597,58 7.878,59 3.035,60 10.298,61 4.321,62 0.149,63 0.924,64 13.927,65 5.329,66 18.467,67 7.654,68 0.074,69 1.109,70 16.704,71 6.762,72 14.478,73 9.72,74 0.281,75 1.205,76 24.076,77 8.387,78 38.839,79 12.61,80 0.199,81 1,82 21.263,83 6.756,84 31.169,85 10.511,86 0.147,87 0.713,88 15.486,89 4.762,90 22.91,91 7.512,92 0.075,93 0.54,94 9.222,95 2.985,96 12.447,97 4.559,98 0.106,99 0.564,100 10.41,101 3.167,102 12.796,103 4.919,104 18,105 33,106 0.258,107 0.648,108 0.708,109 0.727,110 0.727,111 0.727,112 3.059,113 0.889,114 -4.88,115 -4.79,116 -4.49,119 40.5,120 3,123 1,142 4,143 3,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 10,174 2,175 3,177 1,178 1,180 3,183 15,185 1,187 1,190 1,192 2,195 13,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 9,209 1,212 6,217 3,220 4,222 2,224 5,229 3,232 1,234 2,237 3,242 4,245 3,247 1,250 5,255 1,260 1,263 6,268 3,273 3,275 438,276 13.041,277 13.041,278 13.041,279 13.041,280 13.041,281 11.217,282 9.226,283 7.376,284 13.263,285 10.84,286 10.84,287 10.84,288 10.84,289 10.84,290 8.11,291 8.382,292 3.45,293 11.185,294 3.776,295 1.612,296 1.278,297 1.17,298 1.17,299 1.17,300 3.731,303 1,304 1,305 1,306 339,307 3,310 39.96,311 107.516,314 75.978,318 1.26,319 13.419,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 42.5,331 159,332 4.669,333 3.539,334 7.112,335 4.319,336 3.321,337 4.626,339 11.668,340 3.317,341 4.43,342 3.239,343 6.883,344 4.19,345 3.217,346 3.835,348 11.477,349 3.129,350 3.889,351 2.536,352 5.84,353 3.493,354 2.517,355 3.299,357 7.971,358 2.456,359 3.424,360 2.072,361 5.034,362 2.928,363 2,364 2.81,366 5.678,367 1.855,368 3.208,369 1.802,370 4.721,371 2.773,372 1.8,373 2.479,375 5.076,376 1.747,377 2.838,378 1.413,379 4.354,380 2.36,381 1.406,382 1.964,384 3.842,385 1.337,386 2.522,387 1.041,388 3.808,389 2,390 1.036,391 1.533,393 2.658,394 1,395 2.5,396 1,397 3.414,398 1.987,399 1,400 1.5,402 2.275,403 0.983,404 2.17,405 0.772,406 3.313,407 1.681,408 0.726,409 1.029,411 1.787,412 0.692,413 1.055,414 -0.155,415 2.813,416 0.655,417 -0.287,418 -0.362,420 -0.671,421 -0.266,422 0.954,423 -0.362,424 2.372,425 0.514,426 -0.441,427 -0.591,428 -1.084,429 -0.425,430 0.547,431 -0.885,432 2.322,433 0.032,434 -0.925,435 -1,436 -2.446,437 -0.88,438 0.5,439 -1,440 2,442 -1,443 -1,445 -3,446 -1,447 0.074,448 -1,449 2,451 -1,452 -1.305,454 -3,455 -1,457 -1,458 2,460 -1,461 -1.5,463 -3,464 -1,465 9.5,466 0.475,467 0.707,468 0.035,469 27.25,470 1.363,471 14.5,472 0.725,473 12.75,474 0.638,475 15.304,476 0.765,477 21.1,478 0.57,479 17.309,480 0.865,481 5.059,482 0.253,483 4.406,484 0.22,485 0.2,486 0.053,487 0.316,493 0.924,494 1.159,495 0.836,496 0.984,497 1.161,498 0.913,499 0.614,500 0.878,501 0.656,502 0.798,503 0.514,504 0.744,505 0.694,506 1.403,507 1.063,508 1.403,509 0.764,510 1.302,511 0.544,512 0.914,513 0.856,514 1.014,515 0.639,516 0.982,517 1.029,518 0.971,519 1.048,520 1.012,521 0.93,522 1.029,523 0.96,524 0.873,525 0.816,526 0.791,527 0.935,528 0.786,529 1.221,530 1.247,531 1.122,532 1.153,533 1.277,534 1.129,535 1.363,536 1.087,537 1.184,538 1.058,539 0.971,540 1.091,541 5,542 0.037,543 3.111,544 1.688,545 1.126,546 0.618,547 0.328,548 0.317,549 0.304,550 0.074,551 3567,552 8371,553 2.036,554 45.9,555 9,556 4,558 1,559 3,564 1.617,565 1.86,566 2.965,567 1.103,569 1,571 1,573 53.05,574 1.434,575 3.597,576 3.932,577 4.04,578 4.04,579 4.04,580 2.484,581 3.684,582 4.295,583 3.132,584 595.001,585 7.332,586 5931.97,587 1,588 1,589 1,590 1,591 192.75,592 1.72,593 4.22,594 0.227,595 0.012,596 0.094,597 0.053,598 0.04,599 0.033,600 0.021,601 0.023,602 0.023,603 0.007,604 0.533,605 0.5,606 1,607 0.897,608 87.493,609 0.018,610 0.054,611 0.039,612 0.056,613 -0.198,614 0.052,615 0.26,616 0.226,617 0.258,618 0.239,619 0.293,620 0.247,621 0.035,622 -0.318,623 -0.182,624 -0.345,625 -0.03,626 -0.301,627 0.32,628 0.003,629 0.123,630 -0.024,631 0.253,632 0.016,633 -0.105,634 -0.071,635 -0.056,636 -0.045,637 -0.051,638 -0.044,639 -0.011,640 0.004,641 0.196,642 0.17,643 0.092,644 0.203,645 -0.191,646 -0.195,647 -0.176,648 -0.181,649 -0.25,650 -0.178,651 -0.268,652 -0.069,653 -0.214,654 -0.111,655 -0.192,656 -0.148,657 1.223,658 1.927,659 0.75,660 13.68,661 0.995,662 1.135,663 3.651,664 13.327,665 0.665,666 3.135,667 3.526,668 3.784,669 4.043,670 4.22,671 4.317,672 4.431,673 4.511,674 4.543,675 4.419,676 4.904,677 0.629,678 267.37,679 3.135,680 4.71,681 5.572,682 6.482,683 7.363,684 8.273,685 9.162,686 10.071,687 10.964,688 11.874,689 13.5,693 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 1,731 37,733 16,734 1,735 22,737 39,738 15,739 11,740 2,741 4,746 3,747 4,752 3,753 1,761 11,762 4,777 1,778 1,781 17,782 4,783 3,784 5,790 5,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 20,849 1,860 1,877 10.75,878 7.6,879 4.194,880 2.097,881 3.192,882 1.471,883 0.985,884 2.893,885 9.967,886 3.434,887 4.123,888 4.78,889 5.428,890 5.964,891 6.335,892 6.788,893 7.222,894 7.49,895 7.755,896 1,897 32,898 7.327,900 3.089,901 7.638,902 14.063,904 11.582,905 2.138,906 42.75,907 0.001,910 164.795,911 88.743,912 99.794,917 88.743,918 164.795,919 99.794,920 26.476,922 70.802,923 62.005,924 35.941,925 5.085,926 153.024,928 164.795,929 188.538,933 166.511,937 51.757,938 84.831,939 50.234,941 164.795,942 99.794,943 88.743,946 164.795,947 15.744,948 72.999,949 16.663,950 83.131,951 164.795,952 99.794,953 88.743,955 0.605,956 0.346,957 0.178,958 0.09,959 18,960 8,961 0.051,962 2,963 1,964 1.133,965 3.145,966 155.436,967 0.133,968 15,969 77.684,974 12.918,975 4.48,976 2.255,977 1.364,978 83.131,979 9.814,980 12.312,981 2.997,984 3.619,986 49.56,987 353.333,988 30,999 36.811,1000 41.983,1001 0.275,1002 0.691,1003 0.755,1004 0.775,1005 0.775,1006 0.775,1007 4.691,1008 1,1009 5.631,1010 2.658,1011 4.205,1012 4.808,1014 6.532,1015 4.151,1016 5.961,1017 0.726,1018 7.261,1019 2.275,1020 4.111,1021 4.783,1023 7.82,1024 4.063,1025 7.315,1026 -0.287,1027 9.004,1028 1.787,1029 5.948,1030 7.132,1032 10.845,1033 5.865,1034 8.71,1035 -0.441,1036 10.814,1037 -0.671,1038 6.635,1039 7.92,1041 12.895,1042 6.562,1043 10.135,1044 -0.925,1045 12.666,1046 -1.084,1047 8.036,1048 9.776,1050 15.522,1051 7.939,1052 11.584,1053 -1,1054 14.544,1055 -2.446,1056 9.028,1057 10.947,1059 17.83,1060 8.934,1061 13.049,1062 -1,1063 16.441,1064 -3,1065 10.284,1066 12.6,1068 20.337,1069 10.175,1070 3.321,1071 -1,1072 18.35,1073 -3,1074 11.394,1075 13.957,1077 22.736,1078 11.283,1079 3.217,1080 11.668,1081 20.27,1082 -3,1083 12.602,1084 15.528,1086 25.204,1087 12.48,1088 2.517,1089 11.477,1090 22.196,1091 4.626,1092 13.758,1093 16.974,1095 27.635,1096 13.631,1097 2,1098 7.971,1099 24.127,1100 3.835,1101 14.951,1102 18.513,1104 30.09,1105 14.815,1106 1.8,1107 5.678,1108 26.062,1109 3.299,1110 16.125,1111 20.001,1113 32.532,1114 15.984,1115 1.406,1116 5.076,1117 28,1118 2.81,1119 17.313,1120 21.529,1122 34.984,1123 17.165,1124 1.036,1125 3.842,1126 29.941,1127 2.479,1128 18.495,1129 23.037,1131 37.431,1132 18.342,1133 3540,1134 5597,1135 14.216,1136 24.597,1137 34.758,1138 33.944,1139 34.959,1140 34.035,1141 34.046,1142 46.153,1144 104.863,1145 33.031,1146 5.368,1147 5.539,1148 6.656,1149 5.391,1150 5.321,1151 7.626,1153 18.871,1154 5.317,1155 10.774,1156 1.58,1157 1.543,1158 1.589,1159 1.547,1160 1.548,1161 2.098,1163 4.766,1164 1.501,1165 4.114,1166 4.159,1167 4.09,1168 3.999,1169 5.282,1170 4.012,1171 3.893,1172 3.933,1173 3.829,1174 3.787,1175 4.92,1176 3.797,1177 3.562,1178 3.624,1179 3.432,1180 3.444,1181 4.714,1182 3.432,1183 3.29,1184 3.392,1185 3.208,1186 2.994,1187 4.487,1188 3.036,1189 2.995,1190 3.107,1191 2.884,1192 2.735,1193 4.211,1194 2.733,1195 2.874,1196 3.009,1197 2.687,1198 2.692,1199 3.712,1200 2.715,1201 2.874,1202 3.009,1203 2.526,1204 2.618,1205 3.674,1206 2.57,1207 2.854,1208 2.925,1209 2.499,1210 2.618,1211 3.467,1212 2.57,1213 0.212,1214 0.161,1215 0.323,1216 0.196,1217 0.151,1218 4.669,1219 0.21,1220 3.539,1222 7.112,1223 0.53,1224 4.319,1225 0.151,1226 3.321,1227 4.626,1229 11.668,1230 3.317,1231 1.981,1232 1.957,1233 2.096,1234 2.061,1235 1.293,1236 2.072,1237 1.784,1238 1.745,1239 1.888,1240 1.952,1241 1.04,1242 1.928,1243 1.594,1244 1.535,1245 1.765,1246 1.784,1247 0.8,1248 1.79,1249 1.246,1250 1.16,1251 1.417,1252 1.571,1253 0.469,1254 1.535,1255 0.934,1256 0.821,1257 1.417,1258 1.241,1259 0.469,1260 1.308,1261 0.934,1262 0.804,1263 1.385,1264 1.239,1265 0.322,1266 1.308,1267 0.886,1268 0.804,1269 1.181,1270 1.239,1271 0.218,1272 1.228,1273 0.85,1274 0.764,1275 1.157,1276 1.062,1278 1.107,1279 3.807,1281 5.176,1282 2.398,1283 6.737,1284 4.727,1285 8.38,1286 6.862,1287 10.065,1289 6.582,1293 5.927,1301 0.136,1305 23.268,1306 53.05,1307 133.101,1308 145.466,1309 149.466,1310 149.466,1311 149.466,1312 25.741,1313 6.775,1314 80.48,1315 80.48,1316 17,1317 12.392,1318 4.087,1319 3.17,1320 30.006,1321 59,1322 48,1323 0.261,1324 145.955,1325 234.8,1326 347.89,1327 6766,1329 14.328,1330 0.716,1331 0.59,1332 14.328,1333 11.806,1334 9.465,1335 0.43,1336 0.296,1337 6.448,1338 9.167,1339 6.14,1340 5.201,1341 9.465,1342 6.521,1343 9.465,1344 0.287,1345 0.178,1346 9.465,1347 5.883,1348 7.403,1349 0.172,1350 0.08,1351 7.403,1352 3.42,1353 6.222,1354 0.111,1355 0.04,1356 6.222,1357 2.225,1358 4.71,1359 0.07,1360 0.02,1361 4.71,1362 1.35,1363 0.398,1364 58.897,1365 0.265,1366 19.597,1367 0.749,1368 110,1369 274.58,1370 118.076,1371 278.542,1372 393.2,1373 260,1374 131,1375 307.226,1376 139.77,1377 317.626,1378 461.7,1379 296,1380 4.721}
{0 CHEMBL1241241,1 1.6,2 7.25,3 2.159,4 4.66,5 78.257,6 7.695,7 0.727,8 3.681,9 3.813,10 3.271,11 3.181,12 4.881,13 3.182,14 4.156,15 4.337,16 3.651,17 3.553,18 5.303,19 3.543,20 4.365,21 4.566,22 3.708,23 3.656,24 5.507,25 3.635,26 4.446,27 4.679,28 3.671,29 3.664,30 5.567,31 3.617,32 4.35,33 4.575,34 3.498,35 3.615,36 5.374,37 3.547,38 4.281,39 4.483,40 3.425,41 3.551,42 5.44,43 3.47,44 4.381,45 4.661,46 3.018,47 3.407,48 5.39,49 3.247,50 4.143,51 4.481,52 2.519,53 2.981,54 5.083,55 2.731,56 0.082,57 0.569,58 6.955,59 2.75,60 11.316,61 3.657,62 0.157,63 0.874,64 12.315,65 4.498,66 18.094,67 6.316,68 0.224,69 1.014,70 16.084,71 4.99,72 25.163,73 7.245,74 0.35,75 1.058,76 18.472,77 5.575,78 37.547,79 8.226,80 0.223,81 0.971,82 16.167,83 4.945,84 23.329,85 7.414,86 0.185,87 0.903,88 14.416,89 4.973,90 26.09,91 7.241,92 0.323,93 0.824,94 18.828,95 5.471,96 40.653,97 8.397,98 0.308,99 0.515,100 16.934,101 5.419,102 44.339,103 8.447,104 18,105 32,106 0.291,107 0.699,108 0.77,109 0.791,110 0.791,111 0.791,112 3.06,113 0.867,114 -4.12,115 -4.07,116 -3.85,119 40,120 2,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 7,177 1,178 1,180 3,183 6,185 1,186 1,187 5,192 2,195 4,198 2,199 8,201 3,202 3,204 2,207 4,209 1,212 6,217 2,220 2,222 2,224 6,227 1,229 5,232 4,234 4,240 1,245 4,253 2,254 1,257 1,268 2,275 462,276 13.276,277 13.276,278 13.276,279 13.276,280 13.276,281 11.393,282 11.643,283 7.649,284 13.578,285 10.833,286 10.833,287 10.833,288 10.833,289 10.833,290 7.981,291 8.663,292 3.598,293 11.333,294 3.529,295 1.293,296 0.9,297 0.786,298 0.786,299 0.786,300 3.733,303 1,304 1,305 1,306 308,307 2.55,310 37.451,311 100.347,314 71.625,318 1.075,319 18.753,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 43.5,331 145,332 4.757,333 3.373,334 7.038,335 4.298,336 3.335,337 4.73,339 12.08,340 3.213,341 4.051,342 2.77,343 6.147,344 3.647,345 2.676,346 3.663,348 8.811,349 2.596,350 3.795,351 2.624,352 5.761,353 3.438,354 2.484,355 3.202,357 7.604,358 2.366,359 3.573,360 2.37,361 5.037,362 3.153,363 2.203,364 2.959,366 6.021,367 2.085,368 3.029,369 1.822,370 4.818,371 2.683,372 1.742,373 2.231,375 4.818,376 1.636,377 2.974,378 1.539,379 4.421,380 2.445,381 1.507,382 2.124,384 4.06,385 1.409,386 2.521,387 1.08,388 3.858,389 2.007,390 1.062,391 1.531,393 2.755,394 1.001,395 2.5,396 1,397 3.485,398 2,399 1,400 1.5,402 2.275,403 1,404 2.126,405 0.856,406 3.414,407 1.775,408 0.814,409 1.032,411 2.044,412 0.78,413 1.151,414 0.119,415 2.625,416 0.776,417 -0.161,418 -0.2,420 -0.363,421 -0.149,422 1.048,423 -0.173,424 2.418,425 0.593,426 -0.318,427 -0.411,428 -0.736,429 -0.289,430 0.636,431 -0.738,432 2.252,433 0.133,434 -0.798,435 -1,436 -2,437 -0.74,438 0.5,439 -0.896,440 2,442 -1,443 -1.094,445 -2.236,446 -0.995,447 0.206,448 -1,449 2,451 -1,452 -1.268,454 -2.951,455 -1,457 -1,458 1.672,459 -0.133,460 -1.069,461 -1.5,463 -3,464 -1,465 9.333,466 0.467,467 0.597,468 0.03,469 28.25,470 1.413,471 15,472 0.75,473 13.25,474 0.663,475 13.834,476 0.692,477 21.267,478 0.608,479 18.96,480 0.948,481 5.458,482 0.273,483 4.118,484 0.206,485 0.186,487 0.418,493 0.965,494 1.247,495 0.79,496 0.996,497 1.101,498 0.887,499 0.69,500 1.123,501 0.67,502 0.944,503 0.536,504 0.822,505 1.139,506 1.226,507 0.916,508 0.976,509 0.912,510 0.913,511 0.926,512 0.919,513 0.932,514 0.874,515 0.859,516 0.894,517 1.026,518 1.088,519 1.149,520 1.026,521 0.687,522 1.072,523 0.867,524 1.37,525 1.237,526 1.394,527 0.803,528 1.373,529 1.012,530 0.888,531 1.301,532 1.126,533 1.219,534 1.226,535 0.298,536 0.651,537 0.703,538 0.925,539 0.476,540 0.905,541 4,543 2.667,544 1.854,545 1.616,546 0.827,547 0.388,548 0.301,549 0.127,550 0.016,551 3263,552 9228,553 2.048,554 42.9,556 5,558 1,559 3,561 6,564 1.626,565 1.875,566 2.845,567 1.152,569 1,571 1,573 56.009,574 1.6,575 3.836,576 4.229,577 4.343,578 4.343,579 4.343,580 2.261,581 3.922,582 4.292,583 2.954,584 561.355,585 7.374,586 5537.51,587 1,588 1,590 1,591 179.525,592 1.522,593 4.231,594 0.182,596 0.083,597 0.056,598 0.052,599 0.032,600 0.017,601 0.023,602 0.018,603 0.005,604 0.469,605 0.67,606 1,607 0.897,608 85.957,609 -0.075,610 -0.042,611 0.024,612 0.035,613 -0.218,614 0.041,615 0.127,616 0.002,617 0.204,618 0.06,619 0.137,620 0.129,621 -0.14,622 -0.148,623 0.004,624 -0.018,625 -0.041,626 0.012,627 0.03,628 0.122,629 0.025,630 0.06,631 -0.013,632 0.039,633 -0.239,634 -0.016,635 -0.235,636 -0.074,637 -0.096,638 -0.131,639 -0.077,640 -0.302,641 -0.351,642 -0.41,643 -0.008,644 -0.423,645 -0.114,646 0.017,647 -0.293,648 -0.184,649 -0.246,650 -0.245,651 0.537,652 0.011,653 0.411,654 0.098,655 0.478,656 0.212,657 1.453,658 3.39,659 0.75,660 12.91,661 1.007,662 1.136,663 2.891,664 8.355,665 0.665,666 3.135,667 3.497,668 3.807,669 4.127,670 4.394,671 4.5,672 4.533,673 4.605,674 4.522,675 4.357,676 4.442,677 0.642,678 269.34,679 3.135,680 4.691,681 5.565,682 6.472,683 7.375,684 8.292,685 9.205,686 10.126,687 11.043,688 11.967,689 14.3,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,728 1,731 35,733 16,734 1,735 22,737 37,738 14,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,781 15,782 5,783 3,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 20,849 1,853 1,858 1,870 2.9,872 1,877 10.667,878 6.833,879 4.333,880 2.046,881 3.118,882 1.462,883 0.967,884 3.067,885 9.872,886 3.434,887 4.123,888 4.811,889 5.495,890 6.085,891 6.472,892 6.884,893 7.321,894 7.539,895 7.749,896 0.8,897 33,898 7.328,900 3.116,901 7.817,902 13.811,904 11.246,905 2.317,906 46.333,910 141.253,911 76.733,912 84.908,914 42.683,917 76.733,918 183.937,919 84.908,920 17.65,922 70.802,923 106.404,924 18.91,925 2.328,926 129.482,928 141.253,929 161.64,930 42.683,933 70.627,934 113.31,937 32.518,938 78.889,939 50.234,941 141.253,942 127.591,943 76.733,946 141.253,947 12.559,948 65.951,950 125.815,951 141.253,952 127.591,953 76.733,955 0.592,956 0.35,957 0.196,958 0.118,959 17,960 8,961 0.054,962 2,963 1,964 1.133,965 3.103,966 158.576,967 0.133,968 15,969 80.439,974 12.881,975 4.762,976 2.136,977 1.461,978 125.815,979 8.284,980 12.937,984 2.219,985 1.829,986 75.581,987 345.577,988 30,999 35.254,1000 39.777,1001 0.312,1002 0.748,1003 0.824,1004 0.847,1005 0.847,1006 0.847,1007 4.673,1008 1,1009 5.58,1010 2.755,1011 4.174,1012 4.808,1014 6.454,1015 4.09,1016 5.922,1017 0.814,1018 7.18,1019 2.275,1020 3.892,1021 4.745,1023 7.503,1024 3.765,1025 7.258,1026 -0.161,1027 8.884,1028 2.044,1029 5.82,1030 7.138,1032 10.653,1033 5.66,1034 8.636,1035 -0.318,1036 10.648,1037 -0.363,1038 6.347,1039 7.93,1041 12.565,1042 6.149,1043 10.049,1044 -0.798,1045 12.452,1046 -0.736,1047 7.793,1048 9.809,1050 15.261,1051 7.564,1052 11.489,1053 -1,1054 14.285,1055 -2,1056 8.687,1057 11.009,1059 17.522,1060 8.42,1061 12.951,1062 -1,1063 16.139,1064 -2.236,1065 9.957,1066 12.682,1068 20.074,1069 9.658,1070 3.335,1071 -1.069,1072 18.01,1073 -2.951,1074 11.018,1075 14.077,1077 22.475,1078 10.682,1079 2.676,1080 12.08,1081 19.895,1082 -3,1083 12.23,1084 15.669,1086 24.981,1087 11.86,1088 2.484,1089 8.811,1090 21.79,1091 4.73,1092 13.366,1093 17.152,1095 27.436,1096 12.959,1097 2.203,1098 7.604,1099 23.694,1100 3.663,1101 14.562,1102 18.716,1104 29.93,1105 14.119,1106 1.742,1107 6.021,1108 25.605,1109 3.202,1110 15.733,1111 20.237,1113 32.406,1114 15.252,1115 1.507,1116 4.818,1117 27.523,1118 2.959,1119 16.927,1120 21.792,1122 34.897,1123 16.41,1124 1.062,1125 4.06,1126 29.445,1127 2.231,1128 18.113,1129 23.331,1131 37.382,1132 17.56,1133 3271,1134 5605,1135 14.334,1136 23.29,1137 34.109,1138 33.596,1139 35.592,1140 33.712,1141 33.647,1142 45.943,1144 100.937,1145 32.174,1146 5.419,1147 5.373,1148 6.566,1149 5.37,1150 5.335,1151 7.73,1153 19.53,1154 5.213,1155 10.629,1156 1.55,1157 1.527,1158 1.618,1159 1.532,1160 1.529,1161 2.088,1163 4.588,1164 1.462,1165 4.131,1166 4.178,1167 4.113,1168 3.992,1169 6.471,1170 4.014,1171 3.833,1172 3.863,1173 3.776,1174 3.729,1175 5.255,1176 3.739,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.874,1182 3.399,1183 3.211,1184 3.289,1185 3.128,1186 2.986,1187 4.617,1188 3.018,1189 3.007,1190 3.114,1191 2.888,1192 2.735,1193 4.441,1194 2.735,1195 2.874,1196 3.009,1197 2.72,1198 2.694,1199 4.058,1200 2.715,1201 2.854,1202 2.925,1203 2.687,1204 2.618,1205 3.687,1206 2.615,1207 2.833,1208 2.881,1209 2.499,1210 2.595,1211 3.674,1212 2.57,1213 0.216,1214 0.153,1215 0.32,1216 0.195,1217 0.152,1218 4.757,1219 0.215,1220 3.373,1222 7.038,1223 0.549,1224 4.298,1225 0.146,1226 3.335,1227 4.73,1229 12.08,1230 3.213,1231 1.928,1232 1.907,1233 2.008,1234 2.037,1235 1.153,1236 2.021,1237 1.795,1238 1.747,1239 1.946,1240 1.981,1241 1.107,1242 1.972,1243 1.61,1244 1.546,1245 1.773,1246 1.809,1247 0.829,1248 1.81,1249 1.144,1250 1.089,1251 1.417,1252 1.411,1253 0.469,1254 1.379,1255 0.934,1256 0.821,1257 1.263,1258 1.239,1259 0.263,1260 1.308,1261 0.886,1262 0.804,1263 1.181,1264 1.238,1265 0.218,1266 1.219,1267 0.879,1268 0.787,1269 1.15,1270 1.08,1271 0.036,1272 1.107,1273 0.761,1274 0.674,1275 0.99,1276 1.062,1278 1.06,1279 3.807,1281 5.153,1282 2.398,1283 6.701,1284 4.844,1285 8.342,1286 7.081,1287 10.035,1289 4.066,1293 5.984,1294 9.39,1299 0.165,1305 22.456,1306 56.009,1307 134.264,1308 148.015,1309 152.015,1310 152.015,1311 152.015,1312 27.999,1313 6.755,1314 89.85,1315 89.85,1316 17,1317 12.474,1318 4.087,1319 3.17,1320 29.672,1321 52,1322 60,1323 0.292,1324 140.359,1325 226.29,1326 334.236,1327 6245,1329 14.276,1330 0.714,1331 0.564,1332 14.276,1333 11.278,1334 9.575,1335 0.435,1336 0.289,1337 6.263,1338 9.18,1339 6.062,1340 5.081,1341 9.575,1342 6.357,1343 8.977,1344 0.281,1345 0.153,1346 8.977,1347 4.891,1348 7.459,1349 0.17,1350 0.072,1351 7.459,1352 3.148,1353 6.355,1354 0.104,1355 0.036,1356 6.355,1357 2.177,1358 5.373,1359 0.067,1360 0.019,1361 5.373,1362 1.509,1363 0.43,1364 60.172,1365 0.264,1366 19.264,1367 0.892,1368 108,1369 310.042,1370 119.54,1371 306.81,1372 429.12,1373 286,1374 130,1375 334.323,1376 142.291,1377 338.103,1378 496.43,1379 318,1380 6.292}
{0 CHEMBL1241242,1 1.693,2 6.353,3 1.227,4 1.504,5 64.194,6 8.74,7 0.842,8 3.435,9 3.558,10 3.122,11 2.945,12 4.747,13 2.981,14 3.838,15 3.977,16 3.478,17 3.314,18 5.14,19 3.334,20 4,21 4.161,22 3.473,23 3.354,24 5.256,25 3.357,26 4.018,27 4.22,28 3.399,29 3.256,30 5.301,31 3.247,32 3.939,33 4.167,34 3.127,35 3.094,36 5.146,37 3.065,38 3.736,39 3.963,40 2.956,41 2.869,42 4.982,43 2.852,44 3.541,45 3.78,46 2.557,47 2.547,48 4.93,49 2.473,50 3.11,51 3.41,52 1.528,53 1.946,54 4.169,55 1.796,56 0.121,57 0.453,58 4.047,59 1.785,60 12.299,61 1.908,62 0.166,63 0.674,64 6.264,65 2.961,66 13.344,67 3.435,68 0.21,69 0.732,70 8.424,71 3.498,72 21.415,73 4.143,74 0.276,75 0.717,76 9.76,77 3.558,78 26.8,79 4.548,80 0.297,81 0.613,82 10.077,83 2.903,84 28.395,85 3.787,86 0.234,87 0.485,88 8.268,89 2.416,90 22.615,91 3.19,92 0.274,93 0.348,94 7.453,95 2.212,96 32.378,97 3.05,98 0.173,99 0.185,100 6.073,101 1.505,102 21.554,103 2.051,104 5,105 27,106 0.327,107 0.713,108 0.835,109 0.894,110 0.894,111 0.894,112 2.911,113 0.789,114 -3.3,115 -3.29,116 -3.15,119 42.3,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 4,174 1,175 4,177 1,178 2,180 4,183 5,185 1,186 1,187 2,192 3,195 4,198 1,199 3,201 2,202 3,203 1,204 4,206 1,207 1,209 1,212 5,215 1,217 4,220 1,222 2,224 2,228 1,229 2,234 1,237 2,240 2,241 1,242 1,244 1,247 1,275 288,276 11.569,277 11.569,278 11.569,279 11.569,280 11.569,281 9.654,282 5.319,283 6.781,284 11.831,285 9.382,286 9.382,287 9.382,288 9.382,289 9.382,290 6.578,291 3.663,292 3.202,293 9.805,294 3.007,295 1.014,296 0.385,297 0.077,298 0.077,299 0.077,300 3.586,304 1,305 1,306 234,307 1.732,310 29.314,311 82.356,314 56.484,318 0.962,319 17.321,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 37.5,331 108,332 4.668,333 3.249,334 6.886,335 4.203,336 3.231,337 4.627,339 11.497,340 3.141,341 4.047,342 2.737,343 5.877,344 3.603,345 2.631,346 3.675,348 8.142,349 2.554,350 3.51,351 2.298,352 5.043,353 3.083,354 2.136,355 2.882,357 5.916,358 2.017,359 3.414,360 2.054,361 5.015,362 2.91,363 1.984,364 2.799,366 5.672,367 1.835,368 2.964,369 1.537,370 4.324,371 2.435,372 1.492,373 2.178,375 3.874,376 1.403,377 2.681,378 1.228,379 3.8,380 2.179,381 1.204,382 1.766,384 2.742,385 1.171,386 2.5,387 1,388 3.472,389 1.96,390 1,391 1.5,393 2.457,394 0.958,395 2.159,396 0.753,397 3.305,398 1.663,399 0.708,400 1.01,402 1.755,403 0.674,404 1.049,405 -0.057,406 2.486,407 0.614,408 -0.307,409 -0.395,411 -0.707,412 -0.281,413 0.952,414 -0.184,415 2.364,416 0.527,417 -0.402,418 -0.51,420 -0.896,421 -0.368,422 0.765,423 -0.61,424 2,425 0.33,426 -0.633,427 -0.854,428 -1.74,429 -0.608,430 0.5,431 -1,432 2,433 -0.038,434 -1,435 -1.5,436 -2.675,437 -0.954,438 0.081,439 -1.175,440 1.861,441 -0.353,442 -1.276,443 -1.725,445 -3.312,446 -1.185,447 -0.086,448 -1.222,449 1.527,450 -0.45,451 -1.382,452 -1.844,454 -3.409,455 -1.293,456 -0.134,457 -1.519,458 1.257,459 -0.596,460 -1.547,461 -2.167,463 -4.463,464 -1.468,465 7.833,466 0.461,467 0.418,468 0.025,469 26.5,470 1.559,471 15,472 0.882,473 11.5,474 0.676,475 8.586,476 0.505,477 17.367,478 0.668,479 16.352,480 0.962,481 5.361,482 0.315,483 2.893,484 0.17,485 0.094,487 0.383,493 1.055,494 1.039,495 0.728,496 0.757,497 1.131,498 0.68,499 0.696,500 1.01,501 0.694,502 0.948,503 0.613,504 0.842,505 1.021,506 1.297,507 0.931,508 1.169,509 1.025,510 1.067,511 0.786,512 1.033,513 0.926,514 1.115,515 0.801,516 1.072,517 1.169,518 1.011,519 1.193,520 0.953,521 0.957,522 1.035,523 1.13,524 1.046,525 1.103,526 1.023,527 1.144,528 1.031,529 0.918,530 0.905,531 1.23,532 1.136,533 1.003,534 1.245,535 1.672,536 0.478,537 1.465,538 0.771,539 1.894,540 1.022,541 3,543 2,544 1.313,545 1.006,546 0.295,547 0.279,548 0.099,549 0.02,551 2226,552 7221,553 2.127,554 34.6,556 4,558 1,559 4,564 1.574,565 2,566 2.734,567 2.178,571 1,573 44.019,574 1.693,575 3.686,576 4.316,577 4.624,578 4.624,579 4.624,580 2.162,581 3.852,582 4.064,583 2.792,584 379.759,585 6.891,586 3335.39,588 1,591 122.211,592 1.379,593 4.023,594 0.158,596 0.074,597 0.05,598 0.044,599 0.017,600 0.02,601 0.012,602 0.01,604 0.386,605 0.5,606 1,607 0.604,608 68.429,609 -0.199,610 0.102,611 -0.028,612 0.181,613 -0.29,614 0.13,615 0.048,616 0.102,617 0.037,618 0.01,619 0.038,620 0.017,621 -0.136,622 -0.281,623 -0.099,624 -0.201,625 -0.139,626 -0.16,627 0.115,628 -0.041,629 0.005,630 -0.178,631 0.065,632 -0.138,633 -0.197,634 -0.057,635 -0.188,636 -0.03,637 -0.071,638 -0.08,639 -0.103,640 -0.113,641 -0.076,642 -0.092,643 -0.112,644 -0.065,645 0.302,646 -0.07,647 -0.098,648 -0.165,649 0.346,650 -0.214,651 -0.362,652 0.224,653 -0.132,654 0.248,655 -0.374,656 0.146,657 1.492,658 3.453,659 0.882,660 8.879,661 1.023,662 1.136,663 2.074,664 4.302,665 0.693,666 2.996,667 3.332,668 3.638,669 3.951,670 4.127,671 4.143,672 4.205,673 4.263,674 4.143,675 4.007,676 4.002,677 0.688,678 227.25,679 2.996,680 4.533,681 5.398,682 6.293,683 7.179,684 8.081,685 8.973,686 9.878,687 10.775,688 11.68,689 19.2,693 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 1,728 1,731 26,733 16,734 1,735 19,737 28,738 11,739 11,740 2,741 4,746 3,747 4,761 11,778 1,781 9,782 5,783 4,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,848 17,849 1,853 1,870 3.8,872 1,877 8.5,878 4.55,879 3.694,880 1.335,881 3.189,882 1.494,883 1.014,884 2.196,885 9.644,886 3.332,887 4.021,888 4.702,889 5.377,890 5.91,891 6.241,892 6.667,893 7.104,894 7.278,895 7.53,896 1,897 26,898 6.192,900 2.67,901 7.941,902 11.456,904 9.308,905 2.441,906 41.5,907 0.001,910 58.856,911 59.082,912 99.794,914 42.683,917 59.082,918 101.539,919 99.794,922 70.802,923 106.404,924 33.797,925 2.328,926 47.084,928 58.856,929 158.876,930 42.683,933 58.856,934 42.683,937 29.754,938 78.889,939 50.234,941 58.856,942 142.478,943 59.082,946 58.856,947 12.559,948 46.524,949 16.663,950 125.815,951 58.856,952 142.478,953 59.082,955 0.584,956 0.348,957 0.201,958 0.107,959 15,960 6,961 0.036,962 1,963 1,964 1.133,965 2.925,966 124.964,967 0.133,968 15,969 69.487,974 10.052,975 3.714,976 1.607,977 1.244,978 125.815,979 8.162,980 12.12,981 2.784,984 1.933,986 92.244,987 260.415,988 27,999 26.604,1000 29.531,1001 0.36,1002 0.784,1003 0.918,1004 0.984,1005 0.984,1006 0.984,1007 4.543,1008 0.708,1009 5.389,1010 2.457,1011 4.007,1012 4.705,1014 6.232,1015 3.926,1016 5.784,1017 -0.307,1018 6.963,1019 1.755,1020 3.611,1021 4.559,1023 7.213,1024 3.494,1025 7.11,1026 -0.402,1027 8.642,1028 -0.707,1029 5.617,1030 7.031,1032 10.363,1033 5.474,1034 8.479,1035 -0.633,1036 10.386,1037 -0.896,1038 6.066,1039 7.764,1041 12.233,1042 5.898,1043 9.883,1044 -1,1045 12.172,1046 -1.74,1047 7.548,1048 9.678,1050 14.906,1051 7.356,1052 11.313,1053 -1.276,1054 13.99,1055 -2.675,1056 8.392,1057 10.834,1059 17.128,1060 8.176,1061 12.764,1062 -1.382,1063 15.83,1064 -3.312,1065 9.669,1066 12.516,1068 19.645,1069 9.429,1070 3.231,1071 -1.547,1072 17.689,1073 -3.409,1074 10.694,1075 13.875,1077 22.003,1078 10.428,1079 2.631,1080 11.497,1081 19.561,1082 -4.463,1083 11.895,1084 15.462,1086 24.469,1087 11.604,1088 2.136,1089 8.142,1090 21.444,1091 4.627,1092 13,1093 16.914,1095 26.878,1096 12.682,1097 1.984,1098 5.916,1099 23.336,1100 3.675,1101 14.175,1102 18.464,1104 29.327,1105 13.831,1106 1.492,1107 5.672,1108 25.235,1109 2.882,1110 15.315,1111 19.958,1113 31.756,1114 14.943,1115 1.204,1116 3.874,1117 27.139,1118 2.799,1119 16.483,1120 21.494,1122 34.2,1123 16.084,1124 1,1125 2.742,1126 29.048,1127 2.178,1128 17.639,1129 23.007,1131 36.636,1132 17.211,1133 2191,1134 4032,1135 12.83,1136 18.006,1137 29.149,1138 28.648,1139 29.969,1140 28.831,1141 28.773,1142 40.876,1144 84.113,1145 27.504,1146 5.323,1147 5.249,1148 6.439,1149 5.275,1150 5.231,1151 7.627,1153 18.697,1154 5.141,1155 6.617,1156 1.534,1157 1.508,1158 1.577,1159 1.517,1160 1.514,1161 2.151,1163 4.427,1164 1.448,1165 4.107,1166 4.154,1167 4.087,1168 3.973,1169 6.471,1170 3.994,1171 3.823,1172 3.854,1173 3.768,1174 3.712,1175 5.277,1176 3.725,1177 3.296,1178 3.395,1179 3.234,1180 3.009,1181 4.914,1182 3.051,1183 3.027,1184 3.12,1185 2.935,1186 2.758,1187 4.619,1188 2.796,1189 2.931,1190 2.972,1191 2.804,1192 2.745,1193 4.462,1194 2.747,1195 2.791,1196 2.873,1197 2.648,1198 2.592,1199 3.75,1200 2.6,1201 2.33,1202 2.445,1203 2.114,1204 1.979,1205 3.546,1206 1.995,1207 2.181,1208 2.27,1209 2.059,1210 1.827,1211 3.375,1212 1.873,1213 0.246,1214 0.171,1215 0.362,1216 0.221,1217 0.17,1218 4.668,1219 0.244,1220 3.249,1222 6.886,1223 0.605,1224 4.203,1225 0.165,1226 3.231,1227 4.627,1229 11.497,1230 3.141,1231 1.927,1232 1.906,1233 2.008,1234 2.027,1235 1.117,1236 2.016,1237 1.754,1238 1.712,1239 1.82,1240 1.941,1241 0.856,1242 1.915,1243 1.259,1244 1.185,1245 1.374,1246 1.595,1247 0.317,1248 1.539,1249 0.932,1250 0.853,1251 1.172,1252 1.23,1253 0.145,1254 1.217,1255 0.883,1256 0.837,1257 1.131,1258 1.152,1259 0.046,1260 1.135,1261 0.794,1262 0.689,1263 1.085,1264 1.114,1266 1.124,1267 0.569,1268 0.478,1269 0.855,1270 0.798,1272 0.823,1273 0.025,1275 0.582,1276 0.579,1278 0.592,1279 3.664,1281 4.99,1282 2.398,1283 6.524,1284 4.727,1285 8.153,1286 6.862,1287 9.832,1293 5.803,1294 9.453,1305 17.875,1306 44.019,1307 95.847,1308 112.211,1309 120.211,1310 120.211,1311 120.211,1312 20.289,1313 6.455,1314 100.71,1315 100.71,1316 17,1317 12.2,1318 4.087,1319 3.17,1320 23.578,1321 40,1322 36,1323 0.302,1324 111.582,1325 174.39,1326 264.02,1327 4495,1329 11.828,1330 0.696,1331 0.515,1332 11.828,1333 8.753,1334 8.254,1335 0.434,1336 0.263,1337 4.907,1338 7.884,1339 4.837,1340 4.012,1341 8.254,1342 4.994,1343 7.519,1344 0.278,1345 0.134,1346 7.519,1347 3.605,1348 6.383,1349 0.173,1350 0.068,1351 6.383,1352 2.507,1353 5.679,1354 0.111,1355 0.034,1356 5.679,1357 1.744,1358 4.399,1359 0.072,1360 0.018,1361 4.399,1362 1.081,1363 0.443,1364 52.207,1365 0.279,1366 16.64,1367 0.921,1368 92,1369 288.73,1370 102.18,1371 285.923,1372 395.4,1373 266,1374 110,1375 302.256,1376 120.431,1377 306.624,1378 446.85,1379 288,1380 5.387}
{0 CHEMBL1241269,1 1.542,2 6.55,3 2.38,4 5.664,5 79.701,6 7.454,7 0.727,8 3.696,9 3.825,10 3.261,11 3.221,12 4.868,13 3.21,14 4.178,15 4.357,16 3.639,17 3.612,18 5.291,19 3.584,20 4.398,21 4.593,22 3.691,23 3.749,24 5.469,25 3.7,26 4.499,27 4.721,28 3.688,29 3.786,30 5.553,31 3.707,32 4.494,33 4.729,34 3.548,35 3.722,36 5.502,37 3.632,38 4.384,39 4.598,40 3.475,41 3.603,42 5.505,43 3.518,44 4.421,45 4.699,46 3.101,47 3.43,48 5.532,49 3.271,50 4.17,51 4.502,52 2.396,53 2.99,54 5.052,55 2.755,56 0.041,57 0.56,58 7.411,59 2.944,60 10.79,61 3.963,62 0.141,63 0.877,64 13.019,65 4.987,66 17.277,67 6.901,68 0.146,69 1.035,70 16.867,71 5.96,72 20.802,73 8.407,74 0.19,75 1.109,76 19.29,77 7.138,78 26.274,79 10.181,80 0.197,81 1.078,82 19.626,83 6.405,84 28.537,85 9.41,86 0.182,87 0.969,88 17.124,89 5.702,90 26.751,91 8.284,92 0.375,93 0.888,94 19.773,95 5.781,96 57.472,97 8.859,98 0.218,99 0.569,100 16.971,101 5.292,102 37.808,103 7.882,104 18,105 32,106 0.279,107 0.679,108 0.798,109 0.838,110 0.838,111 0.838,112 3.06,113 0.884,114 -4.07,115 -4.02,116 -3.8,119 41.7,120 2,127 1,142 4,143 3,144 1,147 1,148 1,151 1,161 1,163 1,164 1,165 1,172 6,174 2,175 6,177 1,178 1,180 3,183 8,185 1,187 3,192 3,195 5,197 1,198 1,199 6,201 2,202 2,204 3,207 6,209 1,212 5,217 3,220 3,222 2,224 5,227 1,229 3,232 4,234 3,237 2,240 2,241 1,242 1,244 1,245 2,247 1,255 2,258 2,275 456,276 13.276,277 13.276,278 13.276,279 13.276,280 13.276,281 11.393,282 11.643,283 7.685,284 13.577,285 10.85,286 10.85,287 10.85,288 10.85,289 10.85,290 7.987,291 8.663,292 3.618,293 11.35,294 3.628,295 1.421,296 0.764,297 0.542,298 0.542,299 0.542,300 3.733,303 1,304 1,305 1,306 277,307 2.55,310 36.651,311 99.59,314 70.309,318 0.995,319 16.696,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 43,331 131,332 4.758,333 3.374,334 7.039,335 4.301,336 3.336,337 4.731,339 12.085,340 3.227,341 4.076,342 2.8,343 6.155,344 3.668,345 2.699,346 3.693,348 8.868,349 2.611,350 3.794,351 2.624,352 5.781,353 3.434,354 2.488,355 3.201,357 7.684,358 2.349,359 3.506,360 2.297,361 5.034,362 3.088,363 2.133,364 2.876,366 5.931,367 2.03,368 3.025,369 1.82,370 4.817,371 2.682,372 1.741,373 2.197,375 4.817,376 1.634,377 2.954,378 1.536,379 4.35,380 2.439,381 1.49,382 2.118,384 3.913,385 1.41,386 2.681,387 1.228,388 3.854,389 2.18,390 1.204,391 1.765,393 2.786,394 1.172,395 2.457,396 1,397 3.508,398 1.964,399 1,400 1.438,402 2.515,403 0.962,404 2.112,405 0.815,406 3.445,407 1.728,408 0.778,409 1.007,411 1.978,412 0.737,413 1.063,414 -0.057,415 2.608,416 0.637,417 -0.285,418 -0.362,420 -0.664,421 -0.262,422 0.953,423 -0.152,424 2.417,425 0.534,426 -0.4,427 -0.507,428 -0.892,429 -0.367,430 0.769,431 -0.61,432 2.252,433 0.326,434 -0.633,435 -0.852,436 -1.809,437 -0.603,438 0.562,439 -0.813,440 2,441 0.077,442 -0.875,443 -1,445 -2,446 -0.832,447 0.169,448 -1,449 2,451 -1,452 -1.158,454 -2.441,455 -1,457 -1.118,458 1.671,459 -0.229,460 -1.19,461 -1.634,463 -3.324,464 -1.139,465 9.433,466 0.472,467 0.597,468 0.03,469 28.25,470 1.413,471 15,472 0.75,473 13.25,474 0.663,475 13.988,476 0.699,477 21.167,478 0.588,479 18.965,480 0.948,481 5.442,482 0.272,483 4.133,484 0.207,485 0.184,487 0.413,493 1.048,494 1.297,495 0.824,496 0.994,497 1.113,498 0.894,499 0.686,500 0.948,501 0.718,502 0.871,503 0.502,504 0.806,505 1.087,506 1.14,507 0.956,508 0.989,509 0.902,510 0.955,511 0.678,512 1.057,513 0.877,514 1.059,515 0.698,516 1.01,517 1.056,518 1.08,519 1.104,520 1.043,521 0.84,522 1.062,523 1.046,524 1.33,525 1.181,526 1.281,527 1.107,528 1.251,529 0.968,530 0.903,531 1.25,532 1.075,533 1.055,534 1.169,535 1.134,536 0.647,537 0.955,538 0.85,539 1.278,540 0.885,541 4,543 2.444,544 1.979,545 1.616,546 0.716,547 0.478,548 0.227,549 0.061,551 3203,552 8536,553 2.048,554 44.4,556 5,557 1,558 1,559 3,561 6,564 1.627,565 1.875,566 2.771,567 1.103,569 1,571 1,573 55.514,574 1.542,575 3.749,576 4.406,577 4.628,578 4.628,579 4.628,580 2.148,581 4.022,582 4.294,583 2.876,584 546.466,585 7.384,586 5449.55,587 1,588 1,590 1,591 186.117,592 1.522,593 4.231,594 0.182,596 0.076,597 0.06,598 0.05,599 0.027,600 0.02,601 0.016,602 0.01,604 0.442,605 0.67,606 1,607 0.897,608 85.637,609 -0.14,610 -0.117,611 0.021,612 0.03,613 -0.216,614 0.044,615 0.135,616 0.174,617 0.171,618 0.13,619 0.151,620 0.149,621 -0.15,622 -0.071,623 -0.04,624 -0.001,625 -0.075,626 -0.002,627 0.11,628 -0.047,629 0.054,630 -0.062,631 0.053,632 -0.026,633 -0.17,634 -0.059,635 -0.154,636 -0.088,637 -0.066,638 -0.108,639 -0.055,640 -0.299,641 -0.239,642 -0.327,643 -0.088,644 -0.312,645 0.088,646 0.036,647 -0.23,648 -0.163,649 0.057,650 -0.222,651 -0.026,652 0.076,653 0.142,654 0.121,655 0.007,656 0.153,657 1.441,658 3.662,659 0.75,660 12.4,661 1.001,662 1.13,663 2.839,664 8.058,665 0.668,666 3.135,667 3.497,668 3.807,669 4.143,670 4.394,671 4.5,672 4.554,673 4.595,674 4.477,675 4.369,676 4.333,677 0.638,678 268.35,679 3.135,680 4.691,681 5.565,682 6.475,683 7.377,684 8.297,685 9.21,686 10.133,687 11.051,688 11.976,689 11.1,693 1,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,722 1,728 1,731 36,733 16,734 1,735 22,737 38,738 15,739 12,740 2,741 4,746 3,747 4,752 2,758 1,761 12,762 3,777 1,778 1,781 16,782 4,783 3,784 5,790 4,794 0.667,795 1,806 1,807 1,811 1,812 2,815 1,840 2,844 2,848 20,849 1,853 1,858 1,870 2.8,872 1,877 10.667,878 6.967,879 4.333,880 2.106,881 3.128,882 1.463,883 0.974,884 3.106,885 9.883,886 3.434,887 4.123,888 4.811,889 5.504,890 6.085,891 6.472,892 6.894,893 7.312,894 7.512,895 7.765,896 1,897 33,898 7.339,900 3.118,901 7.767,902 13.941,904 11.438,905 2.267,906 45.333,907 0.001,910 153.024,911 86.209,912 68.367,914 42.683,917 86.209,918 195.708,919 68.367,920 17.65,922 79.85,923 89.741,924 19.462,925 14.099,926 129.482,928 153.024,929 154.576,930 42.683,933 82.398,934 113.31,937 29.883,938 91.122,939 33.571,941 153.024,942 111.051,943 86.209,946 153.024,947 12.987,948 75.121,950 109.152,951 153.024,952 111.051,953 86.209,955 0.591,956 0.349,957 0.201,958 0.118,959 17,960 8,961 0.053,962 2,963 1,964 1.133,965 3.088,966 159.323,967 0.133,968 15,969 84.439,974 12.943,975 4.799,976 2.157,977 1.637,978 109.152,979 10.587,980 8.421,984 2.509,985 2.062,986 75.581,987 350.284,988 30,999 36.036,1000 40.694,1001 0.298,1002 0.725,1003 0.852,1004 0.895,1005 0.895,1006 0.895,1007 4.673,1008 1,1009 5.58,1010 2.786,1011 4.174,1012 4.808,1014 6.457,1015 4.09,1016 5.922,1017 0.778,1018 7.18,1019 2.515,1020 3.892,1021 4.745,1023 7.503,1024 3.768,1025 7.258,1026 -0.285,1027 8.884,1028 1.978,1029 5.82,1030 7.138,1032 10.662,1033 5.663,1034 8.636,1035 -0.4,1036 10.649,1037 -0.664,1038 6.347,1039 7.93,1041 12.57,1042 6.156,1043 10.05,1044 -0.633,1045 12.455,1046 -0.892,1047 7.795,1048 9.81,1050 15.271,1051 7.575,1052 11.49,1053 -0.875,1054 14.288,1055 -1.809,1056 8.691,1057 11.013,1059 17.53,1060 8.438,1061 12.953,1062 -1,1063 16.143,1064 -2,1065 9.963,1066 12.686,1068 20.082,1069 9.681,1070 3.336,1071 -1.19,1072 18.015,1073 -2.441,1074 11.026,1075 14.082,1077 22.482,1078 10.712,1079 2.699,1080 12.085,1081 19.9,1082 -3.324,1083 12.238,1084 15.674,1086 24.988,1087 11.895,1088 2.488,1089 8.868,1090 21.795,1091 4.731,1092 13.376,1093 17.157,1095 27.443,1096 13,1097 2.133,1098 7.684,1099 23.7,1100 3.693,1101 14.571,1102 18.721,1104 29.937,1105 14.165,1106 1.741,1107 5.931,1108 25.611,1109 3.201,1110 15.743,1111 20.243,1113 32.413,1114 15.304,1115 1.49,1116 4.817,1117 27.528,1118 2.876,1119 16.937,1120 21.797,1122 34.904,1123 16.466,1124 1.204,1125 3.913,1126 29.451,1127 2.197,1128 18.123,1129 23.336,1131 37.389,1132 17.62,1133 3215,1134 5345,1135 14.334,1136 24.046,1137 34.181,1138 33.627,1139 35.597,1140 33.785,1141 33.739,1142 46.051,1144 101.15,1145 32.262,1146 5.421,1147 5.374,1148 6.59,1149 5.374,1150 5.336,1151 7.731,1153 19.546,1154 5.227,1155 10.52,1156 1.554,1157 1.529,1158 1.618,1159 1.536,1160 1.534,1161 2.093,1163 4.598,1164 1.466,1165 4.15,1166 4.189,1167 4.125,1168 4.038,1169 6.471,1170 4.054,1171 3.834,1172 3.863,1173 3.776,1174 3.737,1175 5.233,1176 3.744,1177 3.578,1178 3.655,1179 3.45,1180 3.408,1181 4.812,1182 3.402,1183 3.249,1184 3.322,1185 3.139,1186 3.064,1187 4.613,1188 3.08,1189 3.004,1190 3.113,1191 2.885,1192 2.746,1193 4.373,1194 2.754,1195 2.931,1196 3.009,1197 2.805,1198 2.714,1199 4.03,1200 2.738,1201 2.874,1202 2.971,1203 2.627,1204 2.618,1205 3.707,1206 2.598,1207 2.767,1208 2.839,1209 2.499,1210 2.594,1211 3.511,1212 2.57,1213 0.216,1214 0.153,1215 0.32,1216 0.196,1217 0.152,1218 4.758,1219 0.215,1220 3.374,1222 7.039,1223 0.549,1224 4.301,1225 0.147,1226 3.336,1227 4.731,1229 12.085,1230 3.227,1231 1.935,1232 1.916,1233 2.017,1234 2.037,1235 1.164,1236 2.021,1237 1.807,1238 1.756,1239 1.959,1240 1.989,1241 1.138,1242 1.986,1243 1.635,1244 1.581,1245 1.779,1246 1.814,1247 0.837,1248 1.816,1249 1.263,1250 1.205,1251 1.451,1252 1.455,1253 0.53,1254 1.463,1255 0.934,1256 0.84,1257 1.417,1258 1.242,1259 0.469,1260 1.308,1261 0.885,1262 0.804,1263 1.17,1264 1.239,1265 0.163,1266 1.233,1267 0.882,1268 0.801,1269 1.137,1270 1.139,1271 0.096,1272 1.131,1273 0.798,1274 0.694,1275 1.058,1276 1.071,1278 1.075,1279 3.807,1281 5.153,1282 2.398,1283 6.701,1284 4.844,1285 8.344,1286 7.081,1287 10.039,1289 4.175,1293 6.019,1294 9.662,1299 0.262,1305 22.961,1306 55.514,1307 134.956,1308 158.608,1309 166.608,1310 166.608,1311 166.608,1312 27.418,1313 6.755,1314 76.96,1315 76.96,1316 17,1317 12.483,1318 4.087,1319 3.17,1320 29.609,1321 51,1322 48,1323 0.298,1324 143.157,1325 232.59,1326 341.063,1327 6245,1329 14.276,1330 0.714,1331 0.57,1332 14.276,1333 11.408,1334 9.575,1335 0.435,1336 0.295,1337 6.399,1338 9.236,1339 6.179,1340 5.182,1341 9.575,1342 6.481,1343 8.989,1344 0.281,1345 0.158,1346 8.989,1347 5.052,1348 7.376,1349 0.168,1350 0.076,1351 7.376,1352 3.352,1353 6.511,1354 0.105,1355 0.039,1356 6.511,1357 2.394,1358 5.35,1359 0.067,1360 0.021,1361 5.35,1362 1.644,1363 0.436,1364 59.764,1365 0.264,1366 19.171,1367 0.922,1368 108,1369 290.397,1370 117.486,1371 289.572,1372 405.02,1373 270,1374 130,1375 312.326,1376 139.488,1377 319.35,1378 468.28,1379 300,1380 5.42}
{0 CHEMBL1241270,1 1.662,2 7.056,3 1.849,4 3.418,5 67.793,6 8.32,7 0.8,8 3.524,9 3.651,10 3.172,11 3.034,12 4.799,13 3.055,14 3.952,15 4.11,16 3.541,17 3.412,18 5.19,19 3.418,20 4.1,21 4.25,22 3.579,23 3.491,24 5.343,25 3.483,26 4.234,27 4.438,28 3.467,29 3.426,30 5.479,31 3.387,32 4.16,33 4.428,34 3.183,35 3.245,36 5.228,37 3.175,38 3.811,39 4.026,40 3.068,41 2.974,42 5.078,43 2.962,44 3.677,45 3.911,46 2.787,47 2.777,48 5.003,49 2.714,50 3.479,51 3.758,52 2.154,53 2.425,54 4.536,55 2.297,56 0.11,57 0.491,58 5.042,59 2.107,60 12.076,61 2.501,62 0.167,63 0.736,64 8.519,65 3.579,66 16.662,67 4.554,68 0.151,69 0.816,70 9.663,71 4.163,72 16.01,73 5.228,74 0.344,75 0.839,76 13.429,77 4.615,78 38.073,79 5.993,80 0.33,81 0.711,82 14.869,83 4.121,84 33.756,85 6.119,86 0.228,87 0.528,88 9.125,89 2.616,90 26.628,91 3.559,92 0.265,93 0.431,94 8.357,95 2.43,96 31.532,97 3.523,98 0.177,99 0.311,100 7.886,101 2.154,102 22.161,103 3.095,104 10,105 29,106 0.314,107 0.761,108 0.844,109 0.875,110 0.875,111 0.875,112 2.963,113 0.812,114 -3.59,115 -3.56,116 -3.39,119 41.4,120 1,142 3,143 3,144 1,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 5,174 2,175 3,177 1,178 1,180 5,183 6,185 1,187 1,190 1,192 5,195 6,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 2,209 1,212 5,216 1,217 4,220 1,222 2,224 3,227 1,229 2,232 1,234 1,237 3,240 2,241 1,242 1,244 1,247 1,250 2,255 1,260 1,275 336,276 12.069,277 12.069,278 12.069,279 12.069,280 12.069,281 10.101,282 6.259,283 6.914,284 12.324,285 9.833,286 9.833,287 9.833,288 9.833,289 9.833,290 6.958,291 4.346,292 3.241,293 10.248,294 3.196,295 0.837,296 0.397,297 0.233,298 0.233,299 0.233,300 3.636,304 1,305 1,306 274,307 1.871,310 32.457,311 89.996,314 62.303,318 0.957,319 18.006,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 39.5,331 127,332 4.671,333 3.258,334 6.887,335 4.208,336 3.236,337 4.629,339 11.501,340 3.147,341 4.198,342 2.979,343 6.016,344 3.769,345 2.794,346 3.868,348 8.521,349 2.721,350 3.683,351 2.409,352 5.686,353 3.293,354 2.326,355 3.088,357 7.34,358 2.247,359 3.42,360 2.059,361 5.034,362 2.917,363 1.991,364 2.807,366 5.677,367 1.841,368 2.996,369 1.684,370 4.438,371 2.453,372 1.51,373 2.234,375 4.071,376 1.42,377 2.82,378 1.526,379 4.039,380 2.384,381 1.414,382 1.948,384 3.512,385 1.365,386 2.553,387 1.077,388 3.811,389 2.01,390 1.065,391 1.578,393 2.683,394 1.004,395 2.186,396 0.795,397 3.314,398 1.701,399 0.744,400 1.053,402 1.807,403 0.71,404 1.371,405 0.417,406 2.655,407 1.061,408 0.101,409 0.122,411 0.223,412 0.096,413 1.043,414 -0.179,415 2.374,416 0.591,417 -0.32,418 -0.412,420 -0.735,421 -0.291,422 0.779,423 -0.381,424 2.365,425 0.355,426 -0.595,427 -0.773,428 -1.578,429 -0.56,430 0.573,431 -0.794,432 2,433 0.092,434 -0.875,435 -1.189,436 -2.318,437 -0.84,438 0.13,439 -1.121,440 2,441 -0.271,442 -1.215,443 -1.656,445 -3.245,446 -1.132,447 -0.042,448 -1.195,449 1.754,450 -0.406,451 -1.356,452 -1.789,454 -3.385,455 -1.286,456 -0.133,457 -1.23,458 1.281,459 -0.478,460 -1.414,461 -1.853,463 -4.027,464 -1.342,465 8.333,466 0.463,467 0.507,468 0.028,469 27,470 1.5,471 15,472 0.833,473 12,474 0.667,475 10.426,476 0.579,477 18.667,478 0.644,479 17.161,480 0.953,481 5.415,482 0.301,483 3.25,484 0.181,485 0.148,487 0.42,493 1.028,494 1.072,495 0.754,496 0.822,497 1.116,498 0.746,499 0.655,500 0.952,501 0.63,502 0.863,503 0.582,504 0.76,505 0.91,506 1.387,507 0.901,508 1.298,509 0.903,510 1.142,511 1.095,512 1.048,513 1.124,514 1.171,515 1.214,516 1.178,517 0.974,518 0.886,519 0.986,520 0.837,521 0.829,522 0.887,523 1.283,524 1.11,525 1.062,526 0.999,527 1.318,528 0.98,529 0.812,530 0.947,531 1.131,532 1.068,533 0.769,534 1.141,535 1.374,536 0.91,537 1.311,538 1.051,539 1.401,540 1.156,541 3.5,543 2.667,544 1.375,545 1.197,546 0.406,547 0.384,548 0.234,549 0.057,550 0.016,551 2585,552 7885,553 2.086,554 37.9,555 3,556 3,558 1,559 4,564 1.59,565 1.929,566 2.842,567 2.105,569 1,570 1,571 1,573 48.199,574 1.662,575 4.021,576 4.461,577 4.625,578 4.625,579 4.625,580 2.213,581 3.948,582 4.145,583 2.898,584 443.418,585 7.051,586 4040.33,588 1,590 1,591 140.881,592 1.481,593 4.09,594 0.175,596 0.092,597 0.047,598 0.05,599 0.023,600 0.024,601 0.021,602 0.011,603 0.016,604 0.459,605 0.5,606 1,607 0.662,608 74.457,609 -0.16,610 0.094,611 -0.012,612 0.151,613 -0.26,614 0.109,615 0.096,616 0.157,617 0.169,618 0.132,619 0.081,620 0.158,621 -0.061,622 -0.326,623 -0.094,624 -0.299,625 -0.049,626 -0.225,627 -0.016,628 -0.07,629 -0.177,630 -0.222,631 -0.106,632 -0.249,633 -0.05,634 0.001,635 0.082,636 0.12,637 0.02,638 0.136,639 -0.13,640 -0.14,641 -0.077,642 -0.079,643 -0.108,644 -0.061,645 0.283,646 -0.018,647 -0.106,648 -0.137,649 0.343,650 -0.184,651 -0.248,652 -0.114,653 -0.173,654 -0.085,655 -0.169,656 -0.108,657 1.439,658 3.743,659 0.833,660 9.852,661 1.017,662 1.136,663 2.355,664 5.547,665 0.682,666 3.045,667 3.401,668 3.714,669 3.989,670 4.19,671 4.234,672 4.304,673 4.394,674 4.29,675 4.143,676 4.237,677 0.669,678 241.28,679 3.045,680 4.595,681 5.468,682 6.365,683 7.256,684 8.158,685 9.056,686 9.96,687 10.861,688 11.766,689 17.2,693 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,722 1,728 1,731 29,733 16,734 1,735 20,737 31,738 12,739 11,740 3,741 3,746 3,747 4,752 1,761 11,762 1,778 1,781 11,782 5,783 4,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 1,848 18,849 1,853 1,870 3.4,872 1,877 9.333,878 5.467,879 3.889,880 1.536,881 3.194,882 1.486,883 1.003,884 2.419,885 9.767,886 3.367,887 4.073,888 4.755,889 5.408,890 5.955,891 6.308,892 6.733,893 7.188,894 7.389,895 7.635,896 0.8,897 29,898 6.572,900 2.826,901 7.898,902 12.23,904 9.955,905 2.398,906 43.167,907 0.001,910 82.398,911 61.617,912 99.794,914 42.683,917 61.617,918 125.081,919 99.794,920 8.825,922 61.326,923 104.689,924 35.941,925 5.085,926 70.627,928 82.398,929 161.411,930 42.683,933 84.113,934 42.683,937 34.107,938 75.355,939 50.234,941 82.398,942 142.478,943 61.617,946 82.398,947 15.744,948 45.873,949 16.663,950 125.815,951 82.398,952 142.478,953 61.617,955 0.595,956 0.361,957 0.191,958 0.103,959 16,960 7,961 0.032,962 1,963 1,964 1.133,965 2.982,966 135.691,967 0.133,968 15,969 75.059,974 10.989,975 3.962,976 1.726,977 1.179,978 125.815,979 6.745,980 12.052,981 2.874,984 2.904,986 92.244,987 286.492,988 28,999 29.487,1000 32.947,1001 0.342,1002 0.828,1003 0.918,1004 0.952,1005 0.952,1006 0.952,1007 4.595,1008 0.744,1009 5.476,1010 2.683,1011 4.078,1012 4.758,1014 6.333,1015 4.002,1016 5.849,1017 0.101,1018 7.069,1019 1.807,1020 3.761,1021 4.691,1023 7.338,1024 3.662,1025 7.188,1026 -0.32,1027 8.763,1028 0.223,1029 5.714,1030 7.101,1032 10.468,1033 5.582,1034 8.567,1035 -0.595,1036 10.516,1037 -0.735,1038 6.217,1039 7.879,1041 12.323,1042 6.064,1043 9.979,1044 -0.875,1045 12.308,1046 -1.578,1047 7.663,1048 9.755,1050 14.985,1051 7.484,1052 11.415,1053 -1.215,1054 14.126,1055 -2.318,1056 8.531,1057 10.93,1059 17.186,1060 8.328,1061 12.87,1062 -1.356,1063 15.963,1064 -3.245,1065 9.789,1066 12.592,1068 19.696,1069 9.561,1070 3.236,1071 -1.414,1072 17.816,1073 -3.385,1074 10.819,1075 13.954,1077 22.039,1078 10.565,1079 2.794,1080 11.501,1081 19.681,1082 -4.027,1083 12.008,1084 15.529,1086 24.5,1087 11.728,1088 2.326,1089 8.521,1090 21.556,1091 4.629,1092 13.11,1093 16.978,1095 26.901,1096 12.803,1097 1.991,1098 7.34,1099 23.44,1100 3.868,1101 14.277,1102 18.519,1104 29.346,1105 13.943,1106 1.51,1107 5.677,1108 25.33,1109 3.088,1110 15.411,1111 20.009,1113 31.771,1114 15.05,1115 1.414,1116 4.071,1117 27.225,1118 2.807,1119 16.573,1120 21.539,1122 34.213,1123 16.185,1124 1.065,1125 3.512,1126 29.126,1127 2.234,1128 17.723,1129 23.048,1131 36.647,1132 17.307,1133 2559,1134 4566,1135 13.235,1136 19.767,1137 30.653,1138 30.663,1139 32.05,1140 30.404,1141 30.362,1142 42.655,1144 90.671,1145 29.101,1146 5.332,1147 5.258,1148 6.431,1149 5.28,1150 5.236,1151 7.629,1153 18.709,1154 5.147,1155 8.515,1156 1.533,1157 1.533,1158 1.602,1159 1.52,1160 1.518,1161 2.133,1163 4.534,1164 1.455,1165 4.109,1166 4.155,1167 4.089,1168 3.984,1169 6.469,1170 4.002,1171 3.847,1172 3.878,1173 3.797,1174 3.736,1175 5.28,1176 3.75,1177 3.344,1178 3.436,1179 3.272,1180 3.114,1181 4.915,1182 3.133,1183 3.111,1184 3.208,1185 2.967,1186 2.862,1187 4.614,1188 2.881,1189 2.975,1190 3.088,1191 2.818,1192 2.746,1193 4.459,1194 2.749,1195 2.932,1196 2.971,1197 2.805,1198 2.673,1199 3.874,1200 2.706,1201 2.544,1202 2.621,1203 2.337,1204 2.298,1205 3.652,1206 2.294,1207 2.332,1208 2.437,1209 2.193,1210 2.011,1211 3.492,1212 2.043,1213 0.234,1214 0.163,1215 0.344,1216 0.21,1217 0.162,1218 4.671,1219 0.231,1220 3.258,1222 6.887,1223 0.575,1224 4.208,1225 0.157,1226 3.236,1227 4.629,1229 11.501,1230 3.147,1231 1.948,1232 1.928,1233 2.035,1234 2.04,1235 1.17,1236 2.036,1237 1.752,1238 1.713,1239 1.814,1240 1.931,1241 0.889,1242 1.901,1243 1.354,1244 1.281,1245 1.563,1246 1.656,1247 0.594,1248 1.616,1249 1.074,1250 0.974,1251 1.33,1252 1.364,1253 0.256,1254 1.387,1255 0.883,1256 0.839,1257 1.153,1258 1.229,1259 0.146,1260 1.218,1261 0.809,1262 0.726,1263 1.133,1264 1.141,1266 1.131,1267 0.783,1268 0.666,1269 0.969,1270 1.009,1272 1.006,1273 0.4,1274 0.323,1275 0.746,1276 0.74,1278 0.749,1279 3.714,1281 5.056,1282 2.398,1283 6.603,1284 4.727,1285 8.242,1286 6.862,1287 9.928,1289 1.835,1293 5.833,1294 9.743,1305 19.402,1306 48.199,1307 116.617,1308 129.372,1309 134.127,1310 134.127,1311 134.127,1312 23.271,1313 6.574,1314 100.71,1315 100.71,1316 17,1317 12.285,1318 4.087,1319 3.17,1320 25.617,1321 45,1322 44,1323 0.291,1324 121.174,1325 191.69,1326 287.425,1327 5182,1329 12.698,1330 0.705,1331 0.538,1332 12.698,1333 9.676,1334 8.665,1335 0.433,1336 0.271,1337 5.323,1338 8.299,1339 5.183,1340 4.323,1341 8.665,1342 5.411,1343 8.015,1344 0.276,1345 0.14,1346 8.015,1347 4.057,1348 7.045,1349 0.176,1350 0.072,1351 7.045,1352 2.878,1353 5.787,1354 0.109,1355 0.035,1356 5.787,1357 1.853,1358 4.599,1359 0.071,1360 0.019,1361 4.599,1362 1.208,1363 0.432,1364 54.671,1365 0.275,1366 17.577,1367 0.874,1368 98,1369 296.73,1370 108.18,1371 294.586,1372 408.49,1373 274,1374 118,1375 313.256,1376 128.764,1377 319.098,1378 465.55,1379 299,1380 5.824}
{0 CHEMBL1241271,1 1.631,2 7.105,3 1.919,4 3.681,5 74.132,6 7.978,7 0.762,8 3.606,9 3.734,10 3.226,11 3.105,12 4.841,13 3.117,14 4.062,15 4.242,16 3.605,17 3.481,18 5.243,19 3.485,20 4.201,21 4.357,22 3.672,23 3.588,24 5.437,25 3.581,26 4.344,27 4.547,28 3.569,29 3.566,30 5.545,31 3.519,32 4.263,33 4.508,34 3.362,35 3.428,36 5.347,37 3.358,38 4.096,39 4.322,40 3.208,41 3.262,42 5.262,43 3.204,44 4.048,45 4.323,46 2.952,47 3.064,48 5.219,49 2.952,50 3.712,51 3.971,52 2.331,53 2.664,54 4.782,55 2.531,56 0.092,57 0.531,58 5.983,59 2.424,60 10.875,61 3.093,62 0.187,63 0.804,64 10.788,65 3.925,66 15.846,67 5.326,68 0.157,69 0.907,70 11.718,71 4.447,72 18.46,73 5.876,74 0.342,75 0.945,76 15.526,77 5.211,78 37.797,79 7.017,80 0.278,81 0.825,82 15.586,83 4.728,84 29.435,85 7.022,86 0.25,87 0.708,88 12.437,89 3.571,90 26.186,91 5.191,92 0.318,93 0.574,94 13.79,95 4.075,96 40.615,97 6.211,98 0.228,99 0.384,100 9.919,101 2.766,102 29.085,103 3.826,104 17,105 31,106 0.302,107 0.74,108 0.833,109 0.861,110 0.861,111 0.861,112 3.013,113 0.83,114 -3.86,115 -3.82,116 -3.62,119 40.6,120 1,124 1,142 3,143 3,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 5,177 1,178 1,180 3,183 6,185 1,186 1,187 3,192 3,195 6,198 2,199 5,201 3,202 3,204 2,207 2,209 1,212 6,215 1,217 3,220 1,222 2,224 4,227 1,229 1,232 1,234 1,237 3,240 2,241 1,242 1,244 1,247 1,250 2,255 1,260 1,275 394,276 12.569,277 12.569,278 12.569,279 12.569,280 12.569,281 10.556,282 9.421,283 7.132,284 12.839,285 10.317,286 10.317,287 10.317,288 10.317,289 10.317,290 7.356,291 6.846,292 3.346,293 10.775,294 3.369,295 1.008,296 0.508,297 0.36,298 0.36,299 0.36,300 3.684,303 1,304 1,305 1,306 289,307 2,310 34.705,311 95.328,314 66.566,318 0.964,319 18.616,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 41.5,331 135,332 4.738,333 3.331,334 6.986,335 4.27,336 3.304,337 4.718,339 11.872,340 3.195,341 4.209,342 2.994,343 6.064,344 3.786,345 2.81,346 3.877,348 8.669,349 2.737,350 3.695,351 2.423,352 5.765,353 3.307,354 2.34,355 3.111,357 7.527,358 2.261,359 3.646,360 2.372,361 5.493,362 3.193,363 2.26,364 3.073,366 6.75,367 2.107,368 2.999,369 1.684,370 4.47,371 2.455,372 1.514,373 2.237,375 4.145,376 1.421,377 2.82,378 1.533,379 4.327,380 2.384,381 1.414,382 1.948,384 3.66,385 1.365,386 2.712,387 1.401,388 4.038,389 2.244,390 1.299,391 1.799,393 3.512,394 1.224,395 2.447,396 1.052,397 3.63,398 1.947,399 1.012,400 1.425,402 2.49,403 0.944,404 1.373,405 0.425,406 2.736,407 1.067,408 0.105,409 0.127,411 0.231,412 0.1,413 1.092,414 -0.08,415 2.442,416 0.669,417 -0.243,418 -0.306,420 -0.572,421 -0.222,422 0.791,423 -0.354,424 2.375,425 0.359,426 -0.593,427 -0.743,428 -1.502,429 -0.56,430 0.724,431 -0.501,432 2.277,433 0.288,434 -0.628,435 -0.825,436 -1.605,437 -0.574,438 0.373,439 -0.819,440 2.143,441 0.036,442 -0.946,443 -1.214,445 -2.662,446 -0.927,447 -0.013,448 -1.19,449 1.79,450 -0.37,451 -1.336,452 -1.776,454 -3.402,455 -1.216,456 -0.047,457 -1.227,458 1.543,459 -0.429,460 -1.359,461 -1.812,463 -3.521,464 -1.303,465 8.833,466 0.465,467 0.597,468 0.031,469 27.75,470 1.461,471 15,472 0.789,473 12.75,474 0.671,475 11.866,476 0.625,477 19.967,478 0.624,479 18.659,480 0.982,481 5.546,482 0.292,483 3.529,484 0.186,485 0.196,487 0.442,493 0.978,494 1.229,495 0.762,496 0.959,497 1.106,498 0.845,499 0.742,500 0.913,501 0.612,502 0.744,503 0.562,504 0.66,505 1.027,506 1.357,507 0.921,508 1.189,509 0.957,510 1.061,511 1.119,512 1.034,513 1.126,514 1.133,515 1.235,516 1.147,517 0.915,518 1.061,519 0.982,520 0.991,521 0.715,522 0.99,523 1.172,524 1.115,525 1.242,526 1.13,527 1.263,528 1.168,529 0.699,530 0.84,531 0.927,532 0.977,533 0.716,534 0.991,535 1.827,536 0.906,537 1.453,538 1.065,539 1.963,540 1.202,541 4,543 2.889,544 1.917,545 1.477,546 0.549,547 0.445,548 0.293,549 0.057,550 0.016,551 2884,552 8375,553 2.05,554 40.6,555 3,556 6,558 1,559 3,564 1.609,565 1.869,566 2.832,567 1.2,569 1,571 1,573 52.179,574 1.631,575 3.992,576 4.492,577 4.64,578 4.64,579 4.64,580 2.189,581 3.932,582 4.222,583 2.909,584 497.47,585 7.218,586 4713.42,587 1,588 1,590 1,591 160,592 1.529,593 4.153,594 0.19,596 0.093,597 0.06,598 0.055,599 0.025,600 0.025,601 0.023,602 0.01,603 0.016,604 0.496,605 0.67,606 1,607 0.697,608 80.037,609 -0.098,610 -0.044,611 0.018,612 0.044,613 -0.241,614 0.047,615 0.08,616 0.205,617 0.247,618 0.242,619 0.105,620 0.271,621 -0.112,622 -0.245,623 -0.089,624 -0.2,625 -0.065,626 -0.15,627 -0.034,628 -0.015,629 -0.194,630 -0.181,631 -0.126,632 -0.225,633 -0.031,634 -0.113,635 0.001,636 -0.028,637 0.086,638 -0.007,639 -0.167,640 -0.099,641 -0.29,642 -0.215,643 -0.241,644 -0.253,645 0.317,646 -0.004,647 0.145,648 -0.004,649 0.362,650 0.038,651 -0.402,652 -0.103,653 -0.358,654 -0.108,655 -0.321,656 -0.217,657 1.438,658 3.813,659 0.789,660 11.014,661 1.012,662 1.136,663 2.627,664 6.901,665 0.673,666 3.091,667 3.466,668 3.784,669 4.078,670 4.317,671 4.357,672 4.431,673 4.511,674 4.431,675 4.234,676 4.302,677 0.654,678 255.31,679 3.091,680 4.654,681 5.533,682 6.441,683 7.343,684 8.255,685 9.165,686 10.079,687 10.992,688 11.908,689 15.6,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,731 32,733 16,734 1,735 21,737 34,738 13,739 11,740 3,741 3,746 3,747 4,752 1,761 11,762 2,778 1,781 13,782 5,783 3,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 19,849 1,853 1,870 3.1,872 1,877 10.167,878 6.417,879 4.083,880 1.714,881 3.173,882 1.475,883 0.986,884 2.644,885 9.852,886 3.401,887 4.123,888 4.811,889 5.476,890 6.051,891 6.405,892 6.833,893 7.274,894 7.504,895 7.702,896 0.8,897 32,898 6.953,900 2.97,901 7.851,902 13.012,904 10.556,905 2.351,906 44.667,907 0.001,910 117.711,911 70.013,912 84.908,914 42.683,917 70.013,918 160.394,919 84.908,920 17.222,922 61.326,923 106.404,924 22.096,925 2.328,926 105.94,928 117.711,929 154.921,930 42.683,933 117.711,934 42.683,937 23.692,938 80.994,939 50.234,941 117.711,942 127.591,943 70.013,946 117.711,947 15.744,948 56.045,950 125.815,951 117.711,952 127.591,953 70.013,955 0.599,956 0.365,957 0.195,958 0.111,959 17,960 8,961 0.029,962 1,963 1,964 1.133,965 3.017,966 148.002,967 0.133,968 15,969 80.711,974 11.932,975 4.21,976 1.828,977 1.371,978 125.815,979 6.813,980 12.587,984 2.884,985 1.652,986 75.581,987 315.315,988 29,999 32.371,1000 36.362,1001 0.326,1002 0.798,1003 0.898,1004 0.928,1005 0.928,1006 0.928,1007 4.644,1008 1.012,1009 5.557,1010 3.512,1011 4.143,1012 4.808,1014 6.435,1015 4.063,1016 5.911,1017 0.105,1018 7.165,1019 2.49,1020 3.892,1021 4.808,1023 7.469,1024 3.779,1025 7.26,1026 -0.243,1027 8.873,1028 0.231,1029 5.802,1030 7.169,1032 10.614,1033 5.657,1034 8.649,1035 -0.593,1036 10.638,1037 -0.572,1038 6.347,1039 7.994,1041 12.492,1042 6.172,1043 10.07,1044 -0.628,1045 12.439,1046 -1.502,1047 7.779,1048 9.851,1050 15.177,1051 7.576,1052 11.515,1053 -0.946,1054 14.266,1055 -1.605,1056 8.679,1057 11.063,1059 17.408,1060 8.444,1061 12.979,1062 -1.336,1063 16.112,1064 -2.662,1065 9.938,1066 12.722,1068 19.945,1069 9.674,1070 3.304,1071 -1.359,1072 17.974,1073 -3.402,1074 10.995,1075 14.115,1077 22.322,1078 10.698,1079 2.81,1080 11.872,1081 19.848,1082 -3.521,1083 12.195,1084 15.698,1086 24.812,1087 11.868,1088 2.34,1089 8.669,1090 21.733,1091 4.718,1092 13.321,1093 17.174,1095 27.247,1096 12.96,1097 2.26,1098 7.527,1099 23.626,1100 3.877,1101 14.504,1102 18.729,1104 29.723,1105 14.112,1106 1.514,1107 6.75,1108 25.526,1109 3.111,1110 15.662,1111 20.243,1113 32.181,1114 15.236,1115 1.414,1116 4.145,1117 27.433,1118 3.073,1119 16.843,1120 21.79,1122 34.655,1123 16.384,1124 1.299,1125 3.66,1126 29.345,1127 2.237,1128 18.016,1129 23.322,1131 37.122,1132 17.523,1133 2879,1134 5005,1135 13.641,1136 21.529,1137 32.435,1138 32.424,1139 34.308,1140 32.164,1141 32.115,1142 44.629,1144 97.714,1145 30.709,1146 5.4,1147 5.331,1148 6.515,1149 5.343,1150 5.304,1151 7.718,1153 19.202,1154 5.195,1155 10.147,1156 1.545,1157 1.544,1158 1.634,1159 1.532,1160 1.529,1161 2.125,1163 4.653,1164 1.462,1165 4.124,1166 4.17,1167 4.106,1168 3.991,1169 6.469,1170 4.012,1171 3.858,1172 3.888,1173 3.806,1174 3.751,1175 5.257,1176 3.764,1177 3.392,1178 3.49,1179 3.308,1180 3.116,1181 4.878,1182 3.145,1183 3.204,1184 3.28,1185 3.063,1186 3.044,1187 4.616,1188 3.039,1189 2.969,1190 3.081,1191 2.815,1192 2.746,1193 4.451,1194 2.751,1195 2.934,1196 2.99,1197 2.805,1198 2.727,1199 3.899,1200 2.73,1201 2.865,1202 2.963,1203 2.611,1204 2.558,1205 3.66,1206 2.568,1207 2.509,1208 2.585,1209 2.295,1210 2.272,1211 3.595,1212 2.264,1213 0.226,1214 0.159,1215 0.333,1216 0.203,1217 0.157,1218 4.738,1219 0.225,1220 3.331,1222 6.986,1223 0.565,1224 4.27,1225 0.152,1226 3.304,1227 4.718,1229 11.872,1230 3.195,1231 1.944,1232 1.924,1233 2.03,1234 2.038,1235 1.163,1236 2.031,1237 1.779,1238 1.736,1239 1.855,1240 1.971,1241 0.937,1242 1.945,1243 1.437,1244 1.357,1245 1.661,1246 1.719,1247 0.717,1248 1.7,1249 1.196,1250 1.113,1251 1.514,1252 1.416,1253 0.552,1254 1.455,1255 0.909,1256 0.841,1257 1.182,1258 1.246,1259 0.174,1260 1.241,1261 0.883,1262 0.824,1263 1.143,1264 1.157,1265 0.094,1266 1.135,1267 0.784,1268 0.664,1269 1.057,1270 1.085,1272 1.1,1273 0.582,1274 0.486,1275 0.83,1276 0.877,1278 0.88,1279 3.761,1281 5.118,1282 2.398,1283 6.676,1284 4.844,1285 8.325,1286 7.05,1287 10.022,1289 3.638,1293 5.909,1294 9.813,1305 20.929,1306 52.179,1307 127.735,1308 143.735,1309 148.49,1310 148.49,1311 148.49,1312 25.655,1313 6.678,1314 89.85,1315 89.85,1316 17,1317 12.42,1318 4.087,1319 3.17,1320 27.62,1321 48,1322 49,1323 0.294,1324 130.767,1325 208.99,1326 310.831,1327 5776,1329 13.569,1330 0.714,1331 0.559,1332 13.569,1333 10.623,1334 9.075,1335 0.432,1336 0.277,1337 5.708,1338 8.675,1339 5.505,1340 4.611,1341 9.075,1342 5.808,1343 8.554,1344 0.276,1345 0.143,1346 8.554,1347 4.431,1348 7.462,1349 0.174,1350 0.073,1351 7.462,1352 3.132,1353 6.132,1354 0.106,1355 0.036,1356 6.132,1357 2.068,1358 5.125,1359 0.069,1360 0.019,1361 5.125,1362 1.416,1363 0.434,1364 57.294,1365 0.271,1366 18.374,1367 0.891,1368 104,1369 308.042,1370 114.874,1371 304.941,1372 424.95,1373 284,1374 126,1375 328.619,1376 137.957,1377 334.762,1378 489.42,1379 313,1380 6.194}
{0 CHEMBL1241299,1 1.829,2 7.105,3 2.181,4 4.756,5 76.714,6 11.04,7 0.762,8 3.531,9 3.645,10 3.42,11 3.086,12 4.802,13 3.094,14 3.97,15 4.121,16 3.868,17 3.477,18 5.215,19 3.472,20 4.125,21 4.263,22 4.063,23 3.582,24 5.425,25 3.561,26 4.183,27 4.364,28 3.731,29 3.517,30 5.422,31 3.464,32 4.1,33 4.305,34 3.531,35 3.37,36 5.284,37 3.318,38 4.054,39 4.274,40 3.603,41 3.264,42 5.254,43 3.193,44 3.945,45 4.209,46 3.597,47 3.067,48 5.163,49 2.921,50 3.49,51 3.723,52 3.553,53 2.599,54 4.721,55 2.427,56 0.124,57 0.486,58 2.012,59 2.149,60 11.324,61 2.144,62 0.218,63 0.739,64 5.883,65 3.6,66 14.95,67 3.883,68 0.274,69 0.822,70 11.789,71 4.61,72 23.044,73 4.422,74 0.34,75 0.848,76 20.033,77 5.131,78 27.994,79 5.351,80 0.299,81 0.754,82 7.418,83 4.101,84 24.32,85 4.676,86 0.328,87 0.683,88 9.123,89 3.879,90 27.967,91 4.301,92 0.359,93 0.511,94 15.895,95 4.797,96 39.005,97 6.113,98 0.297,99 0.276,100 12.589,101 3.012,102 33.939,103 2.986,104 17,105 31,106 0.346,107 0.779,108 0.844,109 0.875,110 0.875,111 0.875,112 3.013,113 0.899,114 -4.26,115 -4.2,116 -3.96,117 1,119 41.4,124 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 5,177 1,178 1,180 2,183 4,185 1,186 1,187 3,192 3,195 5,198 2,199 5,201 3,202 3,204 2,207 2,209 1,212 5,215 1,217 3,222 2,224 3,227 1,229 1,232 1,234 1,237 1,240 2,241 1,244 1,250 2,255 1,260 1,275 394,276 12.569,277 12.569,278 12.569,279 12.569,280 12.569,281 10.556,282 8.879,283 7.132,284 12.976,285 10.317,286 10.317,287 10.317,288 10.317,289 10.317,290 7.356,291 6.242,292 3.346,293 11.08,294 3.029,295 0.742,296 0.397,297 0.233,298 0.233,299 0.233,300 3.684,304 1,305 1,306 289,307 2,310 34.705,311 95.328,314 66.566,318 0.964,319 19.429,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 41.25,331 135,332 4.738,333 3.338,334 6.986,335 4.27,336 3.304,337 4.718,339 11.872,340 3.192,341 4.209,342 3.143,343 6.064,344 3.741,345 2.81,346 3.877,348 8.669,349 2.61,350 3.695,351 2.472,352 5.765,353 3.265,354 2.34,355 3.111,357 7.527,358 2.113,359 3.646,360 2.373,361 5.493,362 3.193,363 2.26,364 3.073,366 6.75,367 2.093,368 2.999,369 1.862,370 4.47,371 2.445,372 1.514,373 2.237,375 4.145,376 1.406,377 2.82,378 1.537,379 4.327,380 2.341,381 1.414,382 1.948,384 3.66,385 1.26,386 2.712,387 1.403,388 4.038,389 2.243,390 1.299,391 1.799,393 3.512,394 1.221,395 2.447,396 1.075,397 3.63,398 1.932,399 1.012,400 1.425,402 2.49,403 0.911,404 1.373,405 0.583,406 2.736,407 0.907,408 0.105,409 0.127,411 0.231,412 0.064,413 1.092,414 -0.08,415 2.442,416 0.668,417 -0.243,418 -0.306,420 -0.572,421 -0.222,422 0.791,423 -0.279,424 2.375,425 0.353,426 -0.593,427 -0.743,428 -1.502,429 -0.525,430 0.724,431 -0.494,432 2.277,433 0.288,434 -0.628,435 -0.825,436 -1.605,437 -0.573,438 0.373,439 -0.737,440 2.143,441 -0.034,442 -0.946,443 -1.214,445 -2.662,446 -0.725,447 -0.013,448 -1.141,449 1.79,450 -0.429,451 -1.336,452 -1.776,454 -3.402,455 -1.125,456 -0.047,457 -1.222,458 1.543,459 -0.444,460 -1.359,461 -1.812,463 -3.521,464 -1.219,465 9.667,466 0.509,467 0.597,468 0.031,469 27.75,470 1.461,471 15,472 0.789,473 12.75,474 0.671,475 13.108,476 0.69,477 19.133,478 0.66,479 17.417,480 0.917,481 5.307,482 0.279,483 3.769,484 0.198,485 0.266,487 0.403,493 0.98,494 1.157,495 0.47,496 0.666,497 1.116,498 0.691,499 0.786,500 0.9,501 0.55,502 0.591,503 0.596,504 0.594,505 1.009,506 1.27,507 0.958,508 1.058,509 0.947,510 0.967,511 0.948,512 1.017,513 1.075,514 1.152,515 0.894,516 1.177,517 0.997,518 1.161,519 0.38,520 0.812,521 0.813,522 1.05,523 1.089,524 1.037,525 0.603,526 0.891,527 1.245,528 1.094,529 0.573,530 0.789,531 0.785,532 0.855,533 0.667,534 0.912,535 1.752,536 0.726,537 1.631,538 1.181,539 2.271,540 1.065,541 4,543 2.889,544 1.917,545 1.477,546 0.549,547 0.445,548 0.293,549 0.057,550 0.016,551 2884,552 10601,553 2.05,554 34.5,556 6,558 1,559 3,564 1.609,565 1.869,566 2.832,567 1.251,569 1,571 1,573 53.033,574 1.829,575 4.116,576 4.461,577 4.625,578 4.625,579 4.625,580 2.189,581 3.932,582 4.222,583 2.909,584 497.47,585 7.218,586 4713.42,587 1,588 1,590 1,591 140.881,592 1.529,593 4.153,594 0.19,596 0.093,597 0.06,598 0.055,599 0.025,600 0.025,601 0.023,602 0.01,603 0.016,604 0.496,605 0.33,606 1,607 0.697,608 80.037,609 -0.155,610 -0.024,611 -0.01,612 0.066,613 -0.277,614 0.06,615 0.004,616 0.205,617 0.038,618 0.201,619 0.063,620 0.23,621 -0.092,622 -0.216,623 -0.036,624 -0.147,625 -0.051,626 -0.117,627 -0.051,628 0.015,629 -0.178,630 -0.247,631 -0.057,632 -0.285,633 -0.128,634 -0.162,635 -0.001,636 -0.07,637 0.006,638 -0.155,639 -0.134,640 -0.052,641 0.012,642 -0.07,643 -0.251,644 -0.169,645 0.454,646 -0.004,647 0.172,648 0.19,649 0.45,650 0.258,651 -0.15,652 -0.008,653 0.16,654 0.162,655 -0.329,656 0.13,657 1.522,658 3.766,659 0.789,660 11.014,661 1.025,662 1.131,663 3.028,664 9.167,665 0.728,666 3.091,667 3.466,668 3.784,669 4.078,670 4.317,671 4.357,672 4.431,673 4.511,674 4.431,675 4.234,676 4.302,677 0.704,678 320.17,679 3.091,680 4.654,681 5.533,682 6.441,683 7.343,684 8.255,685 9.165,686 10.079,687 10.992,688 11.908,689 17.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 29,733 16,734 1,735 21,736 1,737 31,738 12,739 11,740 3,741 3,746 3,747 4,761 11,762 1,778 1,781 10,782 5,783 3,784 7,785 1,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,843 1,844 1,848 19,849 1,853 1,869 1,870 3.4,872 1,877 10.167,878 5.56,879 4.083,880 1.499,881 3.173,882 1.475,883 0.998,884 2.916,885 9.852,886 3.401,887 4.123,888 4.811,889 5.476,890 6.051,891 6.405,892 6.833,893 7.274,894 7.504,895 7.702,896 0.8,897 32,898 6.94,900 2.976,901 7.89,902 12.908,904 10.476,905 2.39,906 45.417,910 82.398,911 61.057,912 130.862,914 42.683,917 107.011,918 125.081,919 84.908,920 8.396,922 61.326,923 106.404,924 21.966,925 2.328,926 70.627,927 45.954,928 82.398,929 145.965,930 42.683,932 45.954,933 82.398,934 42.683,937 14.867,938 80.864,939 50.234,940 45.954,941 82.398,942 127.591,943 107.011,946 82.398,947 15.614,948 47.22,949 45.954,950 125.815,951 82.398,952 127.591,953 107.011,955 0.599,956 0.365,957 0.195,958 0.111,959 17,960 8,961 0.032,962 1,963 1,964 1.133,965 3.017,966 148.002,967 0.133,968 15,969 80.711,974 12.388,975 4.473,976 1.969,977 1.344,978 125.815,979 6.629,980 12.553,984 2.55,985 1.641,986 75.581,987 317,988 29,999 29.716,1000 32.788,1001 0.376,1002 0.847,1003 0.918,1004 0.952,1005 0.952,1006 0.952,1007 4.644,1008 1.012,1009 5.557,1010 3.512,1011 4.143,1012 4.808,1014 6.435,1015 4.013,1016 5.911,1017 0.105,1018 7.165,1019 2.49,1020 3.892,1021 4.808,1023 7.469,1024 3.678,1025 7.26,1026 -0.243,1027 8.873,1028 0.231,1029 5.802,1030 7.169,1032 10.614,1033 5.582,1034 8.649,1035 -0.593,1036 10.638,1037 -0.572,1038 6.347,1039 7.994,1041 12.492,1042 6.061,1043 10.07,1044 -0.628,1045 12.439,1046 -1.502,1047 7.779,1048 9.851,1050 15.177,1051 7.486,1052 11.515,1053 -0.946,1054 14.266,1055 -1.605,1056 8.679,1057 11.063,1059 17.408,1060 8.338,1061 12.979,1062 -1.336,1063 16.112,1064 -2.662,1065 9.938,1066 12.722,1068 19.945,1069 9.581,1070 3.304,1071 -1.359,1072 17.974,1073 -3.402,1074 10.995,1075 14.115,1077 22.322,1078 10.602,1079 2.81,1080 11.872,1081 19.848,1082 -3.521,1083 12.195,1084 15.698,1086 24.812,1087 11.78,1088 2.34,1089 8.669,1090 21.733,1091 4.718,1092 13.321,1093 17.174,1095 27.247,1096 12.876,1097 2.26,1098 7.527,1099 23.626,1100 3.877,1101 14.504,1102 18.729,1104 29.723,1105 14.034,1106 1.514,1107 6.75,1108 25.526,1109 3.111,1110 15.662,1111 20.243,1113 32.181,1114 15.162,1115 1.414,1116 4.145,1117 27.433,1118 3.073,1119 16.843,1120 21.79,1122 34.655,1123 16.316,1124 1.299,1125 3.66,1126 29.345,1127 2.237,1128 18.016,1129 23.322,1131 37.122,1132 17.459,1133 2879,1134 5611,1135 13.641,1136 21.12,1137 32.435,1138 32.882,1139 34.308,1140 32.156,1141 32.115,1142 44.629,1144 97.714,1145 29.74,1146 5.4,1147 5.338,1148 6.515,1149 5.342,1150 5.304,1151 7.718,1153 19.202,1154 5.192,1155 10.147,1156 1.545,1157 1.566,1158 1.634,1159 1.531,1160 1.529,1161 2.125,1163 4.653,1164 1.416,1165 4.121,1166 4.168,1167 6.88,1168 3.992,1169 6.469,1170 4.009,1171 3.833,1172 3.855,1173 4.098,1174 3.751,1175 5.257,1176 3.751,1177 3.389,1178 3.488,1179 3.694,1180 3.101,1181 4.879,1182 3.134,1183 3.085,1184 3.14,1185 3.297,1186 2.982,1187 4.618,1188 2.952,1189 2.937,1190 3.052,1191 2.948,1192 2.746,1193 4.45,1194 2.748,1195 2.914,1196 2.968,1197 2.805,1198 2.653,1199 3.84,1200 2.648,1201 2.69,1202 2.746,1203 2.684,1204 2.535,1205 3.614,1206 2.519,1207 2.223,1208 2.336,1209 2.421,1210 1.982,1211 3.532,1212 1.955,1213 0.226,1214 0.159,1215 0.333,1216 0.203,1217 0.157,1218 4.738,1219 0.225,1220 3.338,1222 6.986,1223 0.565,1224 4.27,1225 0.152,1226 3.304,1227 4.718,1229 11.872,1230 3.192,1231 1.924,1232 1.908,1233 1.971,1234 2.025,1235 1.124,1236 2.008,1237 1.766,1238 1.725,1239 1.836,1240 1.944,1241 0.91,1242 1.926,1243 1.411,1244 1.33,1245 1.63,1246 1.696,1247 0.666,1248 1.677,1249 1.032,1250 0.98,1251 1.191,1252 1.248,1253 0.226,1254 1.247,1255 0.883,1256 0.839,1257 1.148,1258 1.21,1259 0.13,1260 1.192,1261 0.83,1262 0.719,1263 1.097,1264 1.124,1266 1.129,1267 0.625,1268 0.559,1269 0.84,1270 0.877,1272 0.88,1273 0.486,1274 0.385,1275 0.708,1276 0.753,1278 0.769,1279 3.761,1281 5.118,1282 2.398,1283 6.676,1284 4.844,1285 8.325,1286 7.05,1287 10.022,1288 3.246,1289 1.789,1293 5.899,1294 9.766,1305 20.427,1306 53.033,1307 119.372,1308 129.372,1309 134.127,1310 134.127,1311 134.127,1312 25.963,1313 6.678,1314 89.85,1315 89.85,1316 17,1317 12.42,1318 4.087,1319 3.17,1320 27.62,1321 48,1322 49,1323 0.294,1324 133.088,1325 210.97,1326 316.495,1327 5776,1328 3.4,1329 13.569,1330 0.714,1331 0.61,1332 14.569,1333 11.587,1334 9.075,1335 0.432,1336 0.3,1337 5.446,1338 8.14,1339 5.261,1340 4.359,1341 9.653,1342 6.29,1343 8.554,1344 0.276,1345 0.16,1346 9.296,1347 4.95,1348 7.462,1349 0.174,1350 0.082,1351 8.32,1352 3.54,1353 6.132,1354 0.106,1355 0.038,1356 6.435,1357 2.218,1358 5.125,1359 0.069,1360 0.021,1361 5.514,1362 1.578,1363 0.434,1364 65.666,1365 0.271,1366 18.374,1367 0.891,1368 104,1369 326.697,1370 180.745,1371 358.324,1372 483.87,1373 332,1374 126,1375 342.352,1376 173.752,1377 359.884,1378 528,1379 337,1380 7.155}
{0 CHEMBL1241300,1 1.751,2 7.737,3 1.346,4 1.813,5 69.215,6 8.576,7 0.762,8 3.571,9 3.687,10 3.239,11 3.029,12 4.874,13 3.075,14 4,15 4.145,16 3.59,17 3.388,18 5.266,19 3.425,20 4.109,21 4.24,22 3.657,23 3.47,24 5.425,25 3.494,26 4.221,27 4.397,28 3.57,29 3.449,30 5.508,31 3.443,32 4.241,33 4.475,34 3.268,35 3.334,36 5.381,37 3.272,38 4.005,39 4.257,40 3.147,41 3.044,42 5.187,43 3.018,44 3.683,45 3.882,46 2.954,47 2.731,48 5.079,49 2.734,50 3.472,51 3.693,52 2.546,53 2.461,54 4.732,55 2.427,56 0.151,57 0.495,58 4.963,59 2.168,60 12.903,61 2.402,62 0.289,63 0.726,64 8.994,65 3.552,66 21.812,67 4.105,68 0.324,69 0.799,70 9.305,71 3.976,72 24.526,73 4.7,74 0.389,75 0.836,76 11.863,77 4.381,78 30.176,79 5.347,80 0.449,81 0.754,82 14.882,83 4.35,84 42.161,85 5.994,86 0.379,87 0.565,88 12.791,89 3.411,90 36.817,91 5.029,92 0.33,93 0.4,94 8.09,95 2.364,96 33.627,97 3.218,98 0.303,99 0.299,100 7.088,101 1.859,102 25.195,103 2.501,104 11,105 30,106 0.329,107 0.758,108 0.85,109 0.88,110 0.88,111 0.88,112 3.012,113 0.789,114 -3.09,115 -3.09,116 -2.97,119 40,124 1,142 3,143 2,144 2,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 3,174 2,175 4,177 1,178 1,180 4,183 3,185 1,187 3,190 2,192 4,195 3,198 1,199 5,201 2,202 3,203 1,204 3,206 1,207 1,209 1,212 5,216 1,217 3,222 2,224 3,227 2,229 1,234 1,236 1,240 2,241 1,244 1,249 2,252 1,253 1,275 391,276 12.939,277 12.939,278 12.939,279 12.939,280 12.939,281 11.023,282 8.238,283 7.432,284 13.367,285 10.271,286 10.271,287 10.271,288 10.271,289 10.271,290 7.385,291 7.292,292 3.387,293 10.869,294 3.156,295 0.875,296 0.384,297 0.225,298 0.225,299 0.225,300 3.688,304 1,305 1,306 316,307 2.121,310 35.739,311 98.131,314 68.362,318 1.147,319 21.046,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42.5,331 147,332 4.671,333 3.267,334 6.887,335 4.208,336 3.236,337 4.629,338 0.86,339 11.502,340 3.146,341 4.221,342 3.084,343 6.092,344 3.782,345 2.829,346 3.886,348 8.797,349 2.692,350 3.704,351 2.454,352 5.745,353 3.306,354 2.354,355 3.108,357 7.604,358 2.233,359 3.421,360 2.067,361 5.034,362 2.917,363 1.992,364 2.807,366 5.677,367 1.84,368 3.008,369 1.928,370 4.473,371 2.471,372 1.543,373 2.248,375 4.195,376 1.428,377 2.847,378 1.533,379 4.146,380 2.408,381 1.461,382 1.978,384 3.644,385 1.377,386 2.56,387 1.145,388 3.811,389 2.019,390 1.079,391 1.589,393 2.693,394 1.011,395 2.197,396 0.972,397 3.317,398 1.723,399 0.776,400 1.074,402 1.827,403 0.731,404 1.76,405 0.76,406 2.931,407 1.435,408 0.547,409 0.648,411 0.975,412 0.482,413 1.048,414 0.199,415 2.523,416 0.644,417 -0.262,418 -0.311,420 -0.474,421 -0.234,422 0.966,423 -0.18,424 2.365,425 0.572,426 -0.332,427 -0.423,428 -0.744,429 -0.299,430 0.77,431 -0.443,432 2.204,433 0.342,434 -0.611,435 -0.804,436 -1.635,437 -0.578,438 0.53,439 -0.839,440 2,441 0.013,442 -0.938,443 -1.32,445 -2.474,446 -0.883,447 0.095,448 -1.146,449 1.887,450 -0.337,451 -1.255,452 -1.691,454 -3.306,455 -1.152,456 -0.077,457 -1.208,458 1.697,459 -0.444,460 -1.377,461 -1.834,463 -3.758,464 -1.29,465 8.667,466 0.456,467 0.469,468 0.025,469 28.5,470 1.5,471 15.5,472 0.816,473 13,474 0.684,475 10.716,476 0.564,477 20.133,478 0.671,479 18.944,480 0.997,481 5.858,482 0.308,483 3.345,484 0.176,485 0.142,487 0.404,493 1.034,494 1.159,495 0.728,496 0.923,497 1.109,498 0.771,499 1.019,500 0.925,501 0.701,502 0.79,503 0.73,504 0.692,505 0.885,506 1.362,507 0.836,508 1.202,509 0.866,510 1.049,511 0.998,512 1.106,513 1.088,514 1.207,515 0.955,516 1.191,517 1.053,518 1.014,519 1.208,520 1.043,521 1.26,522 1.136,523 0.879,524 0.893,525 0.843,526 0.84,527 1.057,528 0.821,529 0.915,530 1.025,531 0.993,532 1.124,533 0.812,534 1.098,535 1.161,536 0.707,537 1.256,538 0.933,539 1.314,540 1.09,541 3.5,542 0.012,543 2.667,544 1.5,545 1.237,546 0.469,547 0.384,548 0.234,549 0.113,550 0.026,551 3024,552 10100,553 2.081,554 36.7,556 6,558 1,559 4,564 1.605,565 1.932,566 2.942,567 2.09,569 1,570 1,571 1,573 52.524,574 1.751,575 4.031,576 4.523,577 4.682,578 4.682,579 4.682,580 2.439,581 4.037,582 4.22,583 3.022,584 516.742,585 7.2,586 4895.93,587 1,588 1,591 147.207,592 1.462,593 4.171,594 0.167,595 0.012,596 0.089,597 0.048,598 0.046,599 0.025,600 0.023,601 0.018,602 0.014,603 0.006,604 0.448,605 0.5,606 1,607 0.868,608 80.786,609 -0.179,610 0.017,611 -0.006,612 0.071,613 -0.263,614 0.081,615 -0.094,616 0.175,617 0.113,618 0.209,619 -0.009,620 0.208,621 0.025,622 -0.276,623 -0.045,624 -0.193,625 0.024,626 -0.149,627 -0.07,628 -0.067,629 -0.208,630 -0.251,631 -0.041,632 -0.28,633 -0.16,634 -0.096,635 -0.191,636 -0.084,637 -0.191,638 -0.13,639 0.076,640 -0.026,641 0.253,642 0.115,643 0.036,644 0.219,645 0.295,646 -0.116,647 0.041,648 -0.192,649 0.364,650 -0.155,651 0.118,652 0.164,653 -0.164,654 -0.017,655 -0.039,656 -0.135,657 1.627,658 3.81,659 0.789,660 11.723,661 1.027,662 1.139,663 1.864,664 3.475,665 0.674,666 3.091,667 3.434,668 3.761,669 4.043,670 4.22,671 4.29,672 4.382,673 4.477,674 4.419,675 4.29,676 4.532,677 0.671,678 257.28,679 3.091,680 4.635,681 5.509,682 6.405,683 7.296,684 8.198,685 9.096,686 10,687 10.901,688 11.806,689 16.7,693 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,722 1,728 1,729 1,731 30,733 16,734 1,735 21,737 32,738 12,739 11,740 3,741 3,746 3,747 4,761 11,762 1,778 1,781 11,782 6,783 4,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 1,848 19,849 1,853 1,856 1,870 6.7,872 1,875 1,877 9.833,878 5.633,879 4.222,880 1.494,881 3.196,882 1.478,883 0.985,884 2.815,885 9.877,886 3.401,887 4.09,888 4.78,889 5.435,890 5.973,891 6.338,892 6.774,893 7.227,894 7.453,895 7.714,896 1,897 31,898 6.927,900 2.957,901 7.956,902 12.765,904 10.2,905 2.456,906 46.667,910 82.398,911 65.732,912 99.794,914 53.683,917 65.732,918 136.081,919 99.794,920 10.883,922 61.326,923 104.689,924 48.999,925 5.085,926 70.627,928 82.398,929 165.527,930 53.683,933 84.113,934 53.683,937 25.282,938 88.296,939 50.234,941 82.398,942 153.477,943 65.732,946 82.398,947 17.802,948 47.93,949 16.663,950 136.814,951 82.398,952 153.477,953 65.732,955 0.585,956 0.364,957 0.201,958 0.1,959 16,960 7,961 0.063,962 2,963 1,964 1.133,965 3.08,966 145.221,967 0.133,968 15,969 80.711,974 11.896,975 4.496,976 1.909,977 1.116,978 136.814,979 6.376,980 12.024,981 2.851,984 2.16,986 92.244,987 301.608,988 29,999 30.814,1000 34.156,1001 0.357,1002 0.822,1003 0.922,1004 0.954,1005 0.954,1006 0.954,1007 4.625,1008 0.776,1009 5.509,1010 2.693,1011 4.111,1012 4.775,1013 0.908,1014 6.368,1015 4.011,1016 5.869,1017 0.547,1018 7.101,1019 1.827,1020 3.761,1021 4.691,1023 7.383,1024 3.63,1025 7.205,1026 -0.262,1027 8.795,1028 0.975,1029 5.746,1030 7.112,1031 0.739,1032 10.51,1033 5.575,1034 8.584,1035 -0.332,1036 10.549,1037 -0.474,1038 6.236,1039 7.888,1041 12.37,1042 6.038,1043 9.996,1044 -0.611,1045 12.341,1046 -0.744,1047 7.695,1048 9.765,1049 0.593,1050 15.024,1051 7.467,1052 11.432,1053 -0.938,1054 14.16,1055 -1.635,1056 8.558,1057 10.939,1059 17.223,1060 8.303,1061 12.887,1062 -1.255,1063 15.999,1064 -2.474,1065 9.82,1066 12.6,1067 0.469,1068 19.727,1069 9.539,1070 3.236,1071 -1.377,1072 17.852,1073 -3.306,1074 10.848,1075 13.962,1077 22.066,1078 10.54,1079 2.829,1080 11.502,1081 19.717,1082 -3.758,1083 12.038,1084 15.536,1085 0.366,1086 24.522,1087 11.705,1088 2.354,1089 8.797,1090 21.592,1091 4.629,1092 13.139,1093 16.985,1095 26.92,1096 12.779,1097 1.992,1098 7.604,1099 23.474,1100 3.886,1101 14.305,1102 18.526,1103 0.283,1104 29.362,1105 13.92,1106 1.543,1107 5.677,1108 25.363,1109 3.108,1110 15.438,1111 20.015,1113 31.784,1114 15.027,1115 1.461,1116 4.195,1117 27.258,1118 2.807,1119 16.599,1120 21.545,1121 0.217,1122 34.223,1123 16.163,1124 1.079,1125 3.644,1126 29.157,1127 2.248,1128 17.748,1129 23.053,1131 36.656,1132 17.286,1133 3000,1134 5574,1135 13.929,1136 20.222,1137 31.921,1138 31.979,1139 33.446,1140 31.656,1141 31.637,1142 43.935,1143 1.72,1144 93.825,1145 29.88,1146 5.344,1147 5.267,1148 6.432,1149 5.28,1150 5.236,1151 7.629,1152 1.72,1153 18.714,1154 5.146,1155 8.946,1156 1.52,1157 1.523,1158 1.593,1159 1.507,1160 1.507,1161 2.092,1162 0.082,1163 4.468,1164 1.423,1165 4.108,1166 4.153,1167 4.088,1168 3.976,1169 6.47,1170 3.997,1171 3.833,1172 3.856,1173 3.793,1174 3.708,1175 5.281,1176 3.727,1177 3.346,1178 3.43,1179 3.275,1180 3.066,1181 4.918,1182 3.106,1183 3.203,1184 3.285,1185 3.035,1186 2.895,1187 4.756,1188 2.914,1189 2.997,1190 3.107,1191 2.876,1192 2.746,1193 4.516,1194 2.751,1195 2.932,1196 2.971,1197 2.805,1198 2.691,1199 4.284,1200 2.727,1201 2.697,1202 2.761,1203 2.545,1204 2.524,1205 3.705,1206 2.523,1207 2.334,1208 2.437,1209 2.207,1210 2.03,1211 3.516,1212 2.061,1213 0.222,1214 0.156,1215 0.328,1216 0.2,1217 0.154,1218 4.671,1219 0.22,1220 3.267,1221 0.041,1222 6.887,1223 0.548,1224 4.208,1225 0.15,1226 3.236,1227 4.629,1228 0.86,1229 11.502,1230 3.146,1231 1.928,1232 1.911,1233 1.996,1234 2.032,1235 1.129,1236 2.019,1237 1.737,1238 1.701,1239 1.795,1240 1.924,1241 0.835,1242 1.89,1243 1.312,1244 1.245,1245 1.574,1246 1.65,1247 0.573,1248 1.603,1249 1.145,1250 1.053,1251 1.38,1252 1.475,1253 0.315,1254 1.483,1255 0.883,1256 0.839,1257 1.159,1258 1.244,1259 0.147,1260 1.23,1261 0.853,1262 0.767,1263 1.134,1264 1.141,1266 1.131,1267 0.784,1268 0.678,1269 0.983,1270 1.039,1272 1.033,1273 0.547,1274 0.479,1275 0.808,1276 0.789,1278 0.802,1279 3.761,1281 5.094,1282 2.398,1283 6.637,1284 4.727,1285 8.277,1286 6.862,1287 9.963,1289 1.492,1293 5.835,1294 9.81,1297 5.003,1305 20.117,1306 52.524,1307 120.942,1308 135.697,1309 140.452,1310 140.452,1311 140.452,1312 25.613,1313 6.681,1314 109.94,1315 109.94,1316 17,1317 12.326,1318 4.087,1319 3.17,1320 27.734,1321 51,1322 56,1323 0.278,1324 125.171,1325 200.48,1326 297.176,1327 5949,1329 13.405,1330 0.706,1331 0.531,1332 13.405,1333 10.084,1334 9.203,1335 0.438,1336 0.263,1337 5.394,1338 8.684,1339 5.28,1340 4.397,1341 9.203,1342 5.524,1343 8.206,1344 0.274,1345 0.131,1346 8.206,1347 3.943,1348 7.318,1349 0.174,1350 0.068,1351 7.318,1352 2.848,1353 6.305,1354 0.113,1355 0.035,1356 6.305,1357 1.933,1358 4.699,1359 0.07,1360 0.017,1361 4.699,1362 1.172,1363 0.417,1364 59.014,1365 0.268,1366 18.575,1367 0.819,1368 102,1369 344.466,1370 115.058,1371 332.153,1372 456.39,1373 310,1374 123,1375 343.802,1376 136.864,1377 348.171,1378 508.13,1379 325,1380 6.152}
{0 CHEMBL1241301,1 1.716,2 7.8,3 1.416,4 2.005,5 75.554,6 8.222,7 0.727,8 3.65,9 3.768,10 3.29,11 3.101,12 4.913,13 3.136,14 4.106,15 4.273,16 3.652,17 3.458,18 5.316,19 3.491,20 4.21,21 4.348,22 3.742,23 3.568,24 5.512,25 3.591,26 4.332,27 4.511,28 3.663,29 3.586,30 5.572,31 3.568,32 4.336,33 4.552,34 3.433,35 3.502,36 5.484,37 3.44,38 4.245,39 4.499,40 3.277,41 3.315,42 5.358,43 3.249,44 4.046,45 4.301,46 3.094,47 3.039,48 5.263,49 2.971,50 3.755,51 3.984,52 2.688,53 2.658,54 4.984,55 2.61,56 0.13,57 0.535,58 5.918,59 2.475,60 11.679,61 2.991,62 0.304,63 0.792,64 11.316,65 3.863,66 21.052,67 4.887,68 0.33,69 0.89,70 11.364,71 4.249,72 26.826,73 5.347,74 0.385,75 0.944,76 14.094,77 5.005,78 31.008,79 6.417,80 0.392,81 0.871,82 15.755,83 4.997,84 37.909,85 6.987,86 0.399,87 0.743,88 15.714,89 4.331,90 35.499,91 6.548,92 0.381,93 0.543,94 13.582,95 4.004,96 39.388,97 6.025,98 0.397,99 0.366,100 10.273,101 2.602,102 39.592,103 3.504,104 18,105 32,106 0.316,107 0.738,108 0.839,109 0.865,110 0.865,111 0.865,112 3.059,113 0.807,114 -3.37,115 -3.35,116 -3.21,119 39.4,124 2,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 6,177 1,178 1,180 2,183 3,185 1,186 1,187 5,190 1,192 2,195 3,198 2,199 6,201 3,202 3,204 2,207 1,209 1,212 5,215 1,217 3,222 2,223 1,224 3,227 1,229 1,234 1,236 1,240 2,241 1,244 1,249 2,252 1,253 1,275 458,276 13.439,277 13.439,278 13.439,279 13.439,280 13.439,281 11.478,282 11.4,283 7.65,284 13.881,285 10.755,286 10.755,287 10.755,288 10.755,289 10.755,290 7.782,291 9.792,292 3.491,293 11.395,294 3.328,295 1.038,296 0.493,297 0.349,298 0.349,299 0.349,300 3.733,303 1,304 1,305 1,306 333,307 2.236,310 37.987,311 103.463,314 72.626,318 1.14,319 21.742,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 156,332 4.738,333 3.335,334 6.986,335 4.271,336 3.304,337 4.718,338 0.86,339 11.873,340 3.194,341 4.232,342 3.102,343 6.121,344 3.798,345 2.844,346 3.895,348 8.886,349 2.708,350 3.716,351 2.472,352 5.837,353 3.321,354 2.369,355 3.126,357 7.831,358 2.246,359 3.647,360 2.373,361 5.499,362 3.194,363 2.26,364 3.078,366 6.768,367 2.107,368 3.01,369 1.933,370 4.503,371 2.472,372 1.545,373 2.25,375 4.261,376 1.429,377 2.847,378 1.538,379 4.327,380 2.409,381 1.463,382 1.978,384 3.688,385 1.377,386 2.712,387 1.405,388 4.147,389 2.244,390 1.299,391 1.799,393 3.626,394 1.224,395 2.462,396 1.143,397 3.633,398 1.966,399 1.04,400 1.447,402 2.508,403 0.96,404 1.766,405 0.918,406 2.952,407 1.452,408 0.571,409 0.663,411 0.994,412 0.498,413 1.094,414 0.2,415 2.597,416 0.679,417 -0.234,418 -0.289,420 -0.472,421 -0.213,422 0.967,423 -0.08,424 2.439,425 0.614,426 -0.285,427 -0.34,428 -0.586,429 -0.252,430 0.788,431 -0.407,432 2.278,433 0.346,434 -0.611,435 -0.759,436 -1.505,437 -0.572,438 0.702,439 -0.51,440 2.249,441 0.287,442 -0.629,443 -0.836,445 -1.676,446 -0.581,447 0.328,448 -0.875,449 2,450 -0.066,451 -1.031,452 -1.365,454 -2.915,455 -0.985,456 -0.035,457 -1.207,458 1.71,459 -0.429,460 -1.34,461 -1.777,463 -3.404,464 -1.217,465 9.167,466 0.458,467 0.559,468 0.028,469 29.25,470 1.463,471 15.5,472 0.775,473 13.75,474 0.688,475 12.167,476 0.608,477 21.433,478 0.649,479 20.496,480 1.025,481 5.99,482 0.299,483 3.624,484 0.181,485 0.189,487 0.425,493 0.989,494 1.309,495 0.736,496 1.049,497 1.094,498 0.867,499 1.056,500 0.887,501 0.672,502 0.682,503 0.7,504 0.601,505 0.965,506 1.331,507 0.859,508 1.103,509 0.911,510 0.977,511 1.004,512 1.086,513 1.089,514 1.167,515 0.976,516 1.159,517 0.999,518 1.174,519 1.176,520 1.17,521 1.139,522 1.205,523 0.832,524 0.949,525 1.035,526 0.992,527 1.045,528 1.026,529 0.622,530 0.922,531 0.802,532 1.058,533 0.681,534 0.995,535 1.538,536 0.704,537 1.296,538 0.915,539 1.931,540 1.051,541 4,542 0.012,543 2.889,544 2.042,545 1.517,546 0.611,547 0.445,548 0.293,549 0.138,550 0.026,551 3355,552 10676,553 2.048,554 39.4,556 9,558 1,559 3,564 1.622,565 1.875,566 2.934,567 1.201,569 1,571 1,573 56.644,574 1.716,575 4.006,576 4.552,577 4.696,578 4.696,579 4.696,580 2.423,581 4.322,582 4.294,583 3.034,584 576.49,585 7.358,586 5658.27,587 1,588 1,590 1,591 166.465,592 1.522,593 4.231,594 0.182,595 0.012,596 0.09,597 0.06,598 0.051,599 0.027,600 0.023,601 0.02,602 0.015,603 0.005,604 0.485,605 0.67,606 1,607 0.897,608 86.463,609 -0.124,610 -0.114,611 0.023,612 -0.027,613 -0.24,614 0.022,615 -0.089,616 0.218,617 0.198,618 0.302,619 0.026,620 0.314,621 -0.017,622 -0.197,623 -0.044,624 -0.105,625 0.008,626 -0.081,627 -0.077,628 -0.008,629 -0.214,630 -0.199,631 -0.062,632 -0.244,633 -0.138,634 -0.194,635 -0.234,636 -0.193,637 -0.112,638 -0.23,639 0.015,640 -0.014,641 -0.021,642 -0.054,643 -0.1,644 -0.034,645 0.373,646 -0.092,647 0.277,648 -0.079,649 0.407,650 0.05,651 -0.024,652 0.107,653 -0.173,654 0.002,655 -0.224,656 -0.106,657 1.626,658 3.879,659 0.75,660 12.89,661 1.021,662 1.139,663 2.136,664 4.562,665 0.666,666 3.135,667 3.497,668 3.829,669 4.127,670 4.344,671 4.407,672 4.5,673 4.585,674 4.564,675 4.394,676 4.595,677 0.656,678 271.31,679 3.135,680 4.691,681 5.572,682 6.479,683 7.38,684 8.292,685 9.2,686 10.115,687 11.027,688 11.943,689 15.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 33,733 16,734 1,735 22,737 35,738 13,739 11,740 3,741 3,746 3,747 4,761 11,762 2,777 1,778 1,781 13,782 6,783 3,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 20,849 1,853 1,856 1,870 6.1,872 1,875 1,877 10.667,878 6.583,879 4.417,880 1.672,881 3.178,882 1.469,883 0.97,884 3.044,885 9.96,886 3.434,887 4.139,888 4.835,889 5.501,890 6.067,891 6.432,892 6.871,893 7.311,894 7.569,895 7.786,896 1,897 34,898 7.308,900 3.101,901 7.908,902 13.547,904 10.801,905 2.408,906 48.167,910 117.711,911 74.129,912 84.908,914 53.683,917 74.129,918 171.394,919 84.908,920 19.279,922 61.326,923 106.404,924 35.154,925 2.328,926 105.94,928 117.711,929 159.037,930 53.683,933 117.711,934 53.683,937 14.867,938 93.935,939 50.234,941 117.711,942 138.591,943 74.129,946 117.711,947 17.802,948 58.103,950 136.814,951 117.711,952 138.591,953 74.129,955 0.59,956 0.368,957 0.204,958 0.108,959 17,960 8,961 0.057,962 2,963 1,964 1.133,965 3.114,966 157.769,967 0.133,968 15,969 86.439,974 12.844,975 4.74,976 2.026,977 1.308,978 136.814,979 6.444,980 12.555,984 2.139,985 1.629,986 75.581,987 330.431,988 30,999 33.698,1000 37.571,1001 0.34,1002 0.794,1003 0.902,1004 0.931,1005 0.931,1006 0.931,1007 4.673,1008 1.04,1009 5.587,1010 3.626,1011 4.174,1012 4.824,1013 0.908,1014 6.466,1015 4.071,1016 5.93,1017 0.571,1018 7.194,1019 2.508,1020 3.892,1021 4.808,1023 7.509,1024 3.751,1025 7.276,1026 -0.234,1027 8.901,1028 0.994,1029 5.832,1030 7.179,1031 0.739,1032 10.65,1033 5.651,1034 8.664,1035 -0.285,1036 10.666,1037 -0.472,1038 6.365,1039 8.001,1041 12.531,1042 6.148,1043 10.085,1044 -0.611,1045 12.468,1046 -0.586,1047 7.808,1048 9.859,1049 0.593,1050 15.21,1051 7.561,1052 11.53,1053 -0.629,1054 14.296,1055 -1.505,1056 8.703,1057 11.071,1059 17.438,1060 8.421,1061 12.994,1062 -1.031,1063 16.143,1064 -1.676,1065 9.965,1066 12.729,1067 0.469,1068 19.97,1069 9.655,1070 3.304,1071 -1.34,1072 18.005,1073 -2.915,1074 11.02,1075 14.122,1077 22.343,1078 10.676,1079 2.844,1080 11.873,1081 19.879,1082 -3.404,1083 12.219,1084 15.704,1085 0.366,1086 24.828,1087 11.847,1088 2.369,1089 8.886,1090 21.762,1091 4.718,1092 13.344,1093 17.18,1095 27.26,1096 12.94,1097 2.26,1098 7.831,1099 23.655,1100 3.895,1101 14.527,1102 18.734,1103 0.283,1104 29.734,1105 14.092,1106 1.545,1107 6.768,1108 25.554,1109 3.126,1110 15.683,1111 20.248,1113 32.19,1114 15.217,1115 1.463,1116 4.261,1117 27.46,1118 3.078,1119 16.863,1120 21.795,1121 0.217,1122 34.662,1123 16.366,1124 1.299,1125 3.688,1126 29.37,1127 2.25,1128 18.035,1129 23.326,1131 37.127,1132 17.506,1133 3354,1134 6078,1135 14.334,1136 21.983,1137 33.714,1138 33.765,1139 35.646,1140 33.4,1141 33.39,1142 45.909,1143 1.72,1144 100.868,1145 31.488,1146 5.411,1147 5.335,1148 6.527,1149 5.343,1150 5.304,1151 7.718,1152 1.72,1153 19.205,1154 5.194,1155 10.621,1156 1.532,1157 1.535,1158 1.62,1159 1.518,1160 1.518,1161 2.087,1162 0.078,1163 4.585,1164 1.431,1165 4.122,1166 4.169,1167 4.106,1168 3.984,1169 6.47,1170 4.007,1171 3.844,1172 3.865,1173 3.801,1174 3.722,1175 5.257,1176 3.74,1177 3.391,1178 3.489,1179 3.309,1180 3.099,1181 4.884,1182 3.136,1183 3.257,1184 3.321,1185 3.104,1186 3.002,1187 4.75,1188 3.015,1189 3.027,1190 3.108,1191 2.891,1192 2.807,1193 4.518,1194 2.808,1195 2.936,1196 3.037,1197 2.805,1198 2.746,1199 4.279,1200 2.747,1201 2.9,1202 2.967,1203 2.678,1204 2.586,1205 3.75,1206 2.603,1207 2.632,1208 2.7,1209 2.455,1210 2.458,1211 3.604,1212 2.451,1213 0.215,1214 0.152,1215 0.318,1216 0.194,1217 0.15,1218 4.738,1219 0.214,1220 3.335,1221 0.039,1222 6.986,1223 0.54,1224 4.271,1225 0.145,1226 3.304,1227 4.718,1228 0.86,1229 11.873,1230 3.194,1231 1.923,1232 1.907,1233 1.99,1234 2.032,1235 1.12,1236 2.015,1237 1.767,1238 1.726,1239 1.844,1240 1.963,1241 0.909,1242 1.934,1243 1.417,1244 1.338,1245 1.642,1246 1.713,1247 0.669,1248 1.689,1249 1.194,1250 1.117,1251 1.562,1252 1.504,1253 0.568,1254 1.523,1255 0.984,1256 0.914,1257 1.192,1258 1.247,1259 0.208,1260 1.244,1261 0.883,1262 0.838,1263 1.149,1264 1.195,1265 0.124,1266 1.174,1267 0.819,1268 0.701,1269 1.104,1270 1.12,1272 1.128,1273 0.609,1274 0.534,1275 0.845,1276 0.877,1278 0.88,1279 3.807,1281 5.153,1282 2.398,1283 6.708,1284 4.844,1285 8.357,1286 7.05,1287 10.055,1289 3.276,1293 5.91,1294 9.879,1297 5.027,1305 21.644,1306 56.644,1307 132.2,1308 150.2,1309 154.955,1310 154.955,1311 154.955,1312 28.132,1313 6.782,1314 99.08,1315 99.08,1316 17,1317 12.455,1318 4.087,1319 3.17,1320 29.816,1321 54,1322 62,1323 0.281,1324 134.763,1325 217.78,1326 320.581,1327 6609,1329 14.276,1330 0.714,1331 0.552,1332 14.276,1333 11.031,1334 9.613,1335 0.437,1336 0.269,1337 5.779,1338 9.06,1339 5.603,1340 4.685,1341 9.613,1342 5.921,1343 8.745,1344 0.273,1345 0.135,1346 8.745,1347 4.316,1348 7.735,1349 0.172,1350 0.069,1351 7.735,1352 3.102,1353 6.65,1354 0.109,1355 0.035,1356 6.65,1357 2.149,1358 5.225,1359 0.069,1360 0.018,1361 5.225,1362 1.381,1363 0.419,1364 61.638,1365 0.264,1366 19.36,1367 0.836,1368 108,1369 355.778,1370 121.752,1371 342.508,1372 472.85,1373 320,1374 131,1375 359.165,1376 146.058,1377 363.835,1378 532,1379 339,1380 6.395}
{0 CHEMBL1241355,1 1.693,2 6.294,3 1.227,4 1.504,5 64.194,6 8.74,7 0.842,8 3.435,9 3.558,10 3.122,11 2.945,12 4.748,13 2.981,14 3.838,15 3.977,16 3.478,17 3.314,18 5.128,19 3.334,20 4,21 4.161,22 3.508,23 3.356,24 5.273,25 3.369,26 4.034,27 4.216,28 3.452,29 3.268,30 5.398,31 3.272,32 3.984,33 4.213,34 3.185,35 3.115,36 5.192,37 3.098,38 3.77,39 3.986,40 2.987,41 2.889,42 5.166,43 2.861,44 3.558,45 3.828,46 2.294,47 2.533,48 4.696,49 2.429,50 3.006,51 3.341,52 1.116,53 1.904,54 3.761,55 1.646,56 0.121,57 0.453,58 4.047,59 1.785,60 12.346,61 1.908,62 0.166,63 0.674,64 6.264,65 2.961,66 13.83,67 3.435,68 0.197,69 0.732,70 8.438,71 3.498,72 19.3,73 4.187,74 0.32,75 0.722,76 9.478,77 3.529,78 32.149,79 4.304,80 0.319,81 0.629,82 10.763,83 2.998,84 30.454,85 3.873,86 0.305,87 0.495,88 8.404,89 2.525,90 34.193,91 3.346,92 0.231,93 0.355,94 8.097,95 2.129,96 26.051,97 2.817,98 0.125,99 0.167,100 5.851,101 1.681,102 15.243,103 2.566,104 5,105 27,106 0.327,107 0.713,108 0.82,109 0.879,110 0.894,111 0.894,112 2.911,113 0.79,114 -3.3,115 -3.29,116 -3.15,119 42.3,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 4,174 1,175 4,177 1,178 2,180 4,183 5,185 1,186 1,187 1,192 3,195 3,198 1,199 4,201 2,202 4,203 1,204 4,206 1,207 2,209 1,212 3,216 1,217 3,220 1,222 1,224 4,227 2,228 1,229 3,231 1,234 2,237 2,242 1,247 1,275 285,276 11.621,277 11.621,278 11.621,279 11.621,280 11.621,281 9.678,282 5.319,283 6.818,284 11.876,285 9.366,286 9.366,287 9.366,288 9.366,289 9.366,290 6.556,291 3.663,292 3.193,293 9.78,294 3.007,295 1.014,296 0.462,297 0.154,298 0.077,299 0.077,300 3.586,304 1,305 1,306 232,307 1.732,310 28.675,311 81.708,314 55.403,318 0.9,319 17.846,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 37.5,331 107,332 4.684,333 3.286,334 6.931,335 4.229,336 3.256,337 4.637,339 11.659,340 3.166,341 4.139,342 2.843,343 6.171,344 3.695,345 2.729,346 3.786,348 8.909,349 2.632,350 3.432,351 2.114,352 5.044,353 2.945,354 2.017,355 2.816,357 5.687,358 1.872,359 3.317,360 1.95,361 4.981,362 2.821,363 1.879,364 2.672,366 5.382,367 1.765,368 2.865,369 1.522,370 4.048,371 2.392,372 1.414,373 2.028,375 3.286,376 1.377,377 2.786,378 1.326,379 3.756,380 2.268,381 1.319,382 1.915,384 2.968,385 1.248,386 2.5,387 1,388 3.578,389 1.961,390 1,391 1.5,393 2.505,394 0.958,395 2.171,396 0.765,397 3.302,398 1.678,399 0.721,400 1.029,402 1.758,403 0.688,404 1.134,405 0.116,406 2.498,407 0.768,408 -0.165,409 -0.203,411 -0.372,412 -0.152,413 1.031,414 -0.21,415 2.364,416 0.562,417 -0.347,418 -0.457,420 -0.791,421 -0.315,422 0.685,423 -0.692,424 2,425 0.222,426 -0.747,427 -1.026,428 -1.839,429 -0.718,430 0.5,431 -1,432 2,433 -0.039,434 -1,435 -1.5,436 -2.596,437 -0.956,438 0.064,439 -1.192,440 1.862,441 -0.371,442 -1.293,443 -1.733,445 -3.316,446 -1.197,447 -0.107,448 -1.229,449 1.575,450 -0.483,451 -1.414,452 -1.892,454 -3.459,455 -1.324,456 -0.128,457 -1.512,458 1.257,459 -0.58,460 -1.532,461 -2.133,463 -4.464,464 -1.453,465 7.833,466 0.461,467 0.401,468 0.024,469 26.5,470 1.559,471 15,472 0.882,473 11.5,474 0.676,475 8.649,476 0.509,477 17.367,478 0.668,479 16.47,480 0.969,481 5.376,482 0.316,483 2.894,484 0.17,485 0.094,487 0.383,493 1.055,494 1.039,495 0.728,496 0.757,497 1.128,498 0.68,499 0.696,500 1.01,501 0.694,502 0.948,503 0.648,504 0.842,505 0.977,506 1.298,507 0.836,508 1.158,509 0.948,510 1.007,511 0.912,512 1.061,513 0.978,514 1.158,515 1.024,516 1.116,517 1.273,518 0.975,519 1.165,520 0.912,521 1.144,522 0.974,523 0.984,524 1.054,525 1.159,526 1.075,527 0.912,528 1.141,529 1.492,530 0.806,531 1.51,532 0.98,533 1.541,534 1.189,535 0.783,536 0.538,537 1.165,538 0.899,539 0.933,540 1.089,541 2.5,543 2.222,544 1.438,545 0.961,546 0.511,547 0.123,548 0.104,551 2178,552 6969,553 2.127,554 34.6,556 4,558 1,559 4,564 1.576,565 2,566 2.695,567 2.178,571 1,573 44.019,574 1.693,575 3.686,576 4.239,577 4.547,578 4.624,579 4.624,580 2.095,581 3.97,582 4.064,583 2.739,584 372.51,585 6.901,586 3270.86,588 1,591 122.211,592 1.379,593 4.023,594 0.132,596 0.082,597 0.053,598 0.04,599 0.028,600 0.009,601 0.017,604 0.362,605 0.5,606 1,607 0.604,608 68.081,609 -0.199,610 0.102,611 -0.028,612 0.181,613 -0.287,614 0.13,615 0.048,616 0.102,617 0.037,618 0.01,619 0.001,620 0.017,621 -0.09,622 -0.281,623 0.001,624 -0.189,625 -0.057,626 -0.098,627 0.148,628 -0.06,629 -0.067,630 -0.234,631 0.063,632 -0.225,633 -0.217,634 -0.033,635 -0.138,636 0.008,637 -0.148,638 -0.021,639 0.142,640 -0.125,641 -0.137,642 -0.147,643 0.257,644 -0.193,645 -0.389,646 0.029,647 -0.35,648 -0.024,649 -0.352,650 -0.139,651 0.045,652 0.104,653 0.205,654 0.221,655 -0.041,656 0.243,657 1.524,658 3.797,659 0.882,660 8.692,661 1.023,662 1.136,663 2.074,664 4.302,665 0.693,666 2.996,667 3.332,668 3.664,669 3.97,670 4.143,671 4.159,672 4.19,673 4.234,674 4.127,675 3.989,676 3.898,677 0.688,678 227.25,679 2.996,680 4.533,681 5.407,682 6.304,683 7.198,684 8.103,685 9.003,686 9.911,687 10.814,688 11.723,689 19.2,693 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 1,728 1,731 26,733 16,734 1,735 19,737 28,738 11,739 11,740 2,741 4,746 3,747 4,761 11,778 1,781 9,782 5,783 4,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,848 17,849 1,853 1,870 3.8,872 1,877 8.5,878 4.55,879 3.722,880 1.342,881 3.222,882 1.499,883 1.014,884 2.196,885 9.678,886 3.332,887 4.021,888 4.715,889 5.388,890 5.92,891 6.248,892 6.661,893 7.085,894 7.266,895 7.512,896 1,897 27,898 6.2,900 2.684,901 7.941,902 11.456,904 9.312,905 2.441,906 41.5,907 0.001,910 58.856,911 59.082,912 99.794,914 42.683,917 59.082,918 101.539,919 99.794,922 70.802,923 106.404,924 33.797,925 2.328,926 47.084,928 58.856,929 158.876,930 42.683,933 58.856,934 42.683,937 29.754,938 78.889,939 50.234,941 58.856,942 142.478,943 59.082,946 58.856,947 12.559,948 46.524,949 16.663,950 125.815,951 58.856,952 142.478,953 59.082,955 0.584,956 0.359,957 0.207,958 0.108,959 15,960 6,961 0.036,962 1,963 1,964 1.133,965 2.904,966 125.971,967 0.133,968 15,969 67.487,974 10.052,975 3.714,976 1.519,977 1.171,978 125.815,979 8.279,980 12.067,981 2.762,984 1.627,986 92.244,987 260.415,988 27,999 26.604,1000 29.531,1001 0.36,1002 0.784,1003 0.902,1004 0.967,1005 0.984,1006 0.984,1007 4.543,1008 0.721,1009 5.398,1010 2.505,1011 4.007,1012 4.705,1014 6.26,1015 3.926,1016 5.784,1017 -0.165,1018 6.986,1019 1.758,1020 3.611,1021 4.559,1023 7.29,1024 3.494,1025 7.113,1026 -0.347,1027 8.682,1028 -0.372,1029 5.631,1030 7.039,1032 10.452,1033 5.487,1034 8.488,1035 -0.747,1036 10.445,1037 -0.791,1038 6.111,1039 7.793,1041 12.359,1042 5.941,1043 9.9,1044 -1,1045 12.25,1046 -1.839,1047 7.594,1048 9.702,1050 15.039,1051 7.399,1052 11.339,1053 -1.293,1054 14.086,1055 -2.596,1056 8.468,1057 10.875,1059 17.277,1060 8.248,1061 12.799,1062 -1.414,1063 15.942,1064 -3.316,1065 9.747,1066 12.554,1068 19.802,1069 9.503,1070 3.256,1071 -1.532,1072 17.814,1073 -3.459,1074 10.792,1075 13.921,1077 22.168,1078 10.521,1079 2.729,1080 11.659,1081 19.697,1082 -4.464,1083 11.996,1084 15.506,1086 24.643,1087 11.7,1088 2.017,1089 8.909,1090 21.589,1091 4.637,1092 13.113,1093 16.962,1095 27.059,1096 12.79,1097 1.879,1098 5.687,1099 23.489,1100 3.786,1101 14.293,1102 18.51,1104 29.518,1105 13.943,1106 1.414,1107 5.382,1108 25.394,1109 2.816,1110 15.441,1111 20.005,1113 31.956,1114 15.064,1115 1.319,1116 3.286,1117 27.303,1118 2.672,1119 16.614,1120 21.54,1122 34.411,1123 16.21,1124 1,1125 2.968,1126 29.216,1127 2.028,1128 17.776,1129 23.055,1131 36.858,1132 17.345,1133 2148,1134 3931,1135 12.83,1136 18.006,1137 29.053,1138 28.653,1139 30.149,1140 28.736,1141 28.672,1142 40.766,1144 84.309,1145 27.414,1146 5.345,1147 5.286,1148 6.616,1149 5.301,1150 5.256,1151 7.637,1153 19.046,1154 5.166,1155 6.462,1156 1.529,1157 1.508,1158 1.587,1159 1.512,1160 1.509,1161 2.146,1163 4.437,1164 1.443,1165 4.107,1166 4.154,1167 4.088,1168 3.973,1169 6.469,1170 3.994,1171 3.822,1172 3.854,1173 3.766,1174 3.712,1175 5.276,1176 3.724,1177 3.293,1178 3.394,1179 3.23,1180 3.008,1181 4.91,1182 3.049,1183 3.023,1184 3.118,1185 2.924,1186 2.758,1187 4.626,1188 2.795,1189 2.939,1190 2.975,1191 2.819,1192 2.745,1193 4.481,1194 2.749,1195 2.795,1196 2.875,1197 2.649,1198 2.594,1199 3.753,1200 2.603,1201 2.378,1202 2.482,1203 2.166,1204 1.993,1205 3.57,1206 2.018,1207 2.157,1208 2.239,1209 2.066,1210 1.837,1211 3.356,1212 1.884,1213 0.247,1214 0.173,1215 0.365,1216 0.223,1217 0.171,1218 4.684,1219 0.244,1220 3.286,1222 6.931,1223 0.614,1224 4.229,1225 0.167,1226 3.256,1227 4.637,1229 11.659,1230 3.166,1231 1.926,1232 1.906,1233 2.007,1234 2.027,1235 1.115,1236 2.015,1237 1.755,1238 1.712,1239 1.822,1240 1.941,1241 0.86,1242 1.915,1243 1.261,1244 1.184,1245 1.378,1246 1.593,1247 0.323,1248 1.54,1249 0.932,1250 0.853,1251 1.172,1252 1.226,1253 0.158,1254 1.216,1255 0.883,1256 0.838,1257 1.134,1258 1.153,1259 0.042,1260 1.136,1261 0.794,1262 0.69,1263 1.084,1264 1.12,1266 1.124,1267 0.576,1268 0.494,1269 0.846,1270 0.853,1272 0.862,1275 0.541,1276 0.476,1278 0.507,1279 3.664,1281 4.99,1282 2.398,1283 6.532,1284 4.727,1285 8.174,1286 6.862,1287 9.865,1293 5.796,1294 9.797,1305 17.875,1306 44.019,1307 95.847,1308 110.211,1309 118.211,1310 120.211,1311 120.211,1312 21.296,1313 6.455,1314 100.71,1315 100.71,1316 17,1317 12.24,1318 4.087,1319 3.17,1320 23.526,1321 39,1322 34,1323 0.31,1324 111.582,1325 174.39,1326 264.02,1327 4495,1329 11.828,1330 0.696,1331 0.515,1332 11.828,1333 8.753,1334 8.271,1335 0.435,1336 0.263,1337 4.913,1338 7.905,1339 4.846,1340 4.019,1341 8.271,1342 5,1343 7.412,1344 0.275,1345 0.132,1346 7.412,1347 3.572,1348 6.529,1349 0.172,1350 0.067,1351 6.529,1352 2.546,1353 5.739,1354 0.11,1355 0.034,1356 5.739,1357 1.751,1358 4.433,1359 0.071,1360 0.018,1361 4.433,1362 1.086,1363 0.452,1364 52.308,1365 0.279,1366 16.556,1367 0.963,1368 92,1369 288.73,1370 102.18,1371 285.704,1372 395.96,1373 266,1374 111,1375 303.256,1376 121.764,1377 307.285,1378 449.76,1379 289,1380 4}
{0 CHEMBL1241356,1 1.541,2 7,3 0.884,4 0.781,5 65.758,6 8.38,7 0.842,8 3.459,9 3.606,10 3.118,11 2.97,12 4.736,13 2.993,14 3.87,15 4.029,16 3.47,17 3.345,18 5.112,19 3.349,20 4.019,21 4.198,22 3.467,23 3.401,24 5.208,25 3.381,26 4.092,27 4.32,28 3.363,29 3.314,30 5.286,31 3.27,32 4.005,33 4.272,34 3.053,35 3.141,36 5.044,37 3.071,38 3.691,39 3.937,40 2.863,41 2.867,42 4.856,43 2.818,44 3.495,45 3.763,46 2.48,47 2.568,48 4.638,49 2.491,50 3.208,51 3.522,52 1.971,53 2.153,54 4.335,55 1.99,56 0.097,57 0.487,58 4.632,59 1.712,60 11.333,61 2.138,62 0.142,63 0.718,64 7.382,65 3.067,66 13.944,67 3.972,68 0.128,69 0.784,70 9.057,71 3.552,72 14.416,73 4.775,74 0.254,75 0.763,76 11.458,77 3.784,78 26.388,79 5.335,80 0.225,81 0.634,82 12.067,83 3.312,84 22.805,85 4.923,86 0.161,87 0.484,88 8.128,89 2.324,90 18.194,91 3.38,92 0.158,93 0.368,94 7.061,95 1.803,96 18.639,97 2.682,98 0.137,99 0.235,100 6.193,101 1.858,102 18.667,103 2.881,104 5,105 27,106 0.296,107 0.662,108 0.771,109 0.827,110 0.827,111 0.827,112 2.91,113 0.799,114 -3.3,115 -3.29,116 -3.15,119 40.7,142 4,143 2,144 1,147 1,148 1,149 1,152 1,163 2,164 2,165 2,168 1,172 4,174 2,175 3,177 1,178 1,180 5,183 5,185 3,187 1,190 1,192 4,195 4,197 2,198 1,199 4,201 2,202 3,203 1,204 4,206 1,207 2,209 2,212 6,217 2,222 2,224 4,228 1,229 3,231 1,234 3,239 1,240 1,252 2,253 2,254 1,257 2,261 1,275 291,276 11.569,277 11.569,278 11.569,279 11.569,280 11.569,281 9.654,282 6.325,283 6.745,284 11.811,285 9.365,286 9.365,287 9.365,288 9.365,289 9.365,290 6.572,291 5,292 3.182,293 9.75,294 3.214,295 1.304,296 0.741,297 0.444,298 0.444,299 0.444,300 3.586,304 1,305 1,306 259,307 1.732,310 30.114,311 83.112,314 57.8,318 0.941,319 14.002,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 37,331 119,332 4.666,333 3.244,334 6.884,335 4.201,336 3.229,337 4.626,339 11.489,340 3.139,341 4.022,342 2.644,343 5.849,344 3.583,345 2.605,346 3.646,348 8.009,349 2.547,350 3.573,351 2.288,352 5.042,353 3.168,354 2.203,355 2.959,357 6.015,358 2.124,359 3.419,360 2.056,361 5.024,362 2.915,363 1.989,364 2.805,366 5.676,367 1.839,368 2.989,369 1.523,370 4.392,371 2.449,372 1.508,373 2.22,375 4.011,376 1.415,377 2.553,378 1.073,379 3.806,380 2.009,381 1.065,382 1.578,384 2.679,385 1.002,386 2.5,387 1,388 3.414,389 2,390 1,391 1.5,393 2.275,394 1,395 2.185,396 0.788,397 3.31,398 1.697,399 0.742,400 1.051,402 1.802,403 0.707,404 1.151,405 -0.023,406 2.502,407 0.798,408 -0.161,409 -0.2,411 -0.361,412 -0.154,413 1.033,414 -0.231,415 2.364,416 0.566,417 -0.346,418 -0.456,420 -0.788,421 -0.316,422 0.583,423 -0.812,424 2,425 0.097,426 -0.854,427 -1.15,428 -2.258,429 -0.809,430 0.5,431 -1,432 2,434 -1,435 -1.5,436 -3,437 -1,438 0.105,439 -1.145,440 1.862,441 -0.299,442 -1.225,443 -1.657,445 -3.118,446 -1.128,447 -0.076,448 -1.244,449 1.583,450 -0.418,451 -1.361,452 -1.79,454 -3.328,455 -1.286,456 -0.136,457 -1.529,458 1.257,459 -0.597,460 -1.554,461 -2.188,463 -4.46,464 -1.483,465 7.9,466 0.465,467 0.418,468 0.025,469 26.5,470 1.559,471 15,472 0.882,473 11.5,474 0.676,475 8.651,476 0.509,477 17.3,478 0.641,479 16.158,480 0.95,481 5.34,482 0.314,483 2.914,484 0.171,485 0.101,487 0.38,493 1.131,494 1.044,495 0.756,496 0.735,497 1.331,498 0.681,499 0.702,500 1.036,501 0.697,502 0.931,503 0.608,504 0.835,505 0.869,506 1.358,507 0.915,508 1.251,509 0.885,510 1.122,511 0.799,512 1.008,513 1.008,514 1.132,515 0.845,516 1.116,517 1.242,518 0.949,519 1.098,520 0.908,521 0.89,522 0.962,523 1.176,524 1.074,525 1.105,526 1.041,527 1.148,528 1.055,529 1.359,530 0.966,531 1.313,532 1.044,533 1.531,534 1.146,535 0.384,536 0.606,537 0.955,538 1.051,539 0.429,540 1.106,541 3,543 2.222,544 1.188,545 1.006,546 0.375,547 0.206,548 0.211,549 0.037,550 0.016,551 2274,552 6810,553 2.127,554 37,556 4,558 1,559 5,564 1.572,565 2,566 2.814,567 3.117,571 1,573 41.599,574 1.541,575 3.45,576 4.014,577 4.31,578 4.31,579 4.31,580 2.228,581 3.455,582 4.061,583 2.87,584 390.378,585 6.878,586 3397.74,588 1,591 128.382,592 1.379,593 4.023,594 0.158,596 0.082,597 0.046,598 0.046,599 0.023,600 0.016,601 0.026,602 0.009,603 0.016,604 0.422,605 0.5,606 1,607 0.604,608 68.749,609 -0.208,610 0.131,611 -0.015,612 0.202,613 -0.381,614 0.145,615 0.126,616 0.08,617 0.082,618 0.054,619 0.102,620 0.058,621 -0.05,622 -0.311,623 -0.087,624 -0.265,625 -0.077,626 -0.198,627 0.181,628 -0.035,629 -0.057,630 -0.182,631 0.078,632 -0.17,633 -0.252,634 -0.064,635 -0.051,636 0.059,637 -0.049,638 0.048,639 -0.158,640 -0.139,641 -0.108,642 -0.101,643 -0.098,644 -0.095,645 -0.251,646 -0.067,647 -0.261,648 -0.132,649 -0.303,650 -0.186,651 0.586,652 0.136,653 0.246,654 -0.033,655 0.723,656 0.025,657 1.254,658 1.833,659 0.882,660 9.301,661 1.014,662 1.141,663 2.074,664 4.302,665 0.687,666 2.996,667 3.332,668 3.638,669 3.932,670 4.127,671 4.143,672 4.19,673 4.29,674 4.159,675 3.97,676 4.121,677 0.673,678 226.27,679 2.996,680 4.533,681 5.398,682 6.29,683 7.175,684 8.074,685 8.967,686 9.868,687 10.765,688 11.668,689 22.2,693 2,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 2,731 27,733 16,734 1,735 19,737 29,738 11,739 11,740 2,741 4,746 3,747 4,761 11,778 1,781 10,782 5,783 5,784 6,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,848 17,849 2,877 8.5,878 4.683,879 3.694,880 1.368,881 3.178,882 1.492,883 1.069,884 2.196,885 9.634,886 3.332,887 4.021,888 4.702,889 5.367,890 5.91,891 6.241,892 6.661,893 7.117,894 7.293,895 7.507,896 0.8,897 26,898 6.18,900 2.636,901 7.824,902 11.548,904 9.379,905 2.324,906 39.5,907 0.001,910 58.856,911 61.839,912 132.691,917 61.839,918 58.856,919 132.691,922 103.699,923 62.005,924 35.512,925 5.085,926 47.084,928 58.856,929 194.53,933 60.571,937 25.282,938 117.299,939 50.234,941 58.856,942 132.691,943 61.839,946 58.856,947 15.315,948 46.524,949 16.663,950 116.028,951 58.856,952 132.691,953 61.839,955 0.586,956 0.349,957 0.194,958 0.107,959 15,960 6,961 0.034,962 1,963 1,964 1.133,965 2.94,966 124.321,967 0.133,968 15,969 65.487,974 10.052,975 3.714,976 1.607,977 1.293,978 116.028,979 8.832,980 12.104,981 2.917,984 2.874,986 82.457,987 253.386,988 27,999 27.378,1000 30.82,1001 0.324,1002 0.726,1003 0.844,1004 0.907,1005 0.907,1006 0.907,1007 4.543,1008 0.742,1009 5.389,1010 2.275,1011 4.007,1012 4.705,1014 6.229,1015 3.934,1016 5.784,1017 -0.161,1018 6.963,1019 1.802,1020 3.611,1021 4.559,1023 7.213,1024 3.512,1025 7.11,1026 -0.346,1027 8.642,1028 -0.361,1029 5.617,1030 7.031,1032 10.351,1033 5.486,1034 8.479,1035 -0.854,1036 10.384,1037 -0.788,1038 6.066,1039 7.764,1041 12.226,1042 5.915,1043 9.882,1044 -1,1045 12.169,1046 -2.258,1047 7.545,1048 9.676,1050 14.892,1051 7.366,1052 11.312,1053 -1.225,1054 13.985,1055 -3,1056 8.385,1057 10.83,1059 17.117,1060 8.184,1061 12.762,1062 -1.361,1063 15.825,1064 -3.118,1065 9.661,1066 12.511,1068 19.632,1069 9.433,1070 3.229,1071 -1.554,1072 17.682,1073 -3.328,1074 10.683,1075 13.869,1077 21.991,1078 10.429,1079 2.605,1080 11.489,1081 19.554,1082 -4.46,1083 11.883,1084 15.456,1086 24.457,1087 11.602,1088 2.203,1089 8.009,1090 21.437,1091 4.626,1092 12.986,1093 16.907,1095 26.866,1096 12.677,1097 1.989,1098 6.015,1099 23.328,1100 3.646,1101 14.161,1102 18.457,1104 29.315,1105 13.824,1106 1.508,1107 5.676,1108 25.227,1109 2.959,1110 15.299,1111 19.951,1113 31.744,1114 14.934,1115 1.065,1116 4.011,1117 27.131,1118 2.805,1119 16.467,1120 21.487,1122 34.187,1123 16.074,1124 1,1125 2.679,1126 29.04,1127 2.22,1128 17.622,1129 23.001,1131 36.624,1132 17.2,1133 2235,1134 3959,1135 12.83,1136 18.557,1137 29.078,1138 28.557,1139 29.969,1140 28.72,1141 28.683,1142 40.771,1144 83.908,1145 27.548,1146 5.32,1147 5.244,1148 6.428,1149 5.273,1150 5.229,1151 7.626,1153 18.66,1154 5.139,1155 6.745,1156 1.53,1157 1.503,1158 1.577,1159 1.512,1160 1.51,1161 2.146,1163 4.416,1164 1.45,1165 4.107,1166 4.154,1167 4.086,1168 3.978,1169 5.284,1170 3.997,1171 3.827,1172 3.869,1173 3.77,1174 3.715,1175 5.107,1176 3.727,1177 3.328,1178 3.426,1179 3.262,1180 3.05,1181 4.909,1182 3.09,1183 3.037,1184 3.145,1185 2.935,1186 2.741,1187 4.553,1188 2.782,1189 2.927,1190 3.048,1191 2.777,1192 2.735,1193 4.393,1194 2.715,1195 2.854,1196 2.925,1197 2.687,1198 2.639,1199 3.7,1200 2.662,1201 2.409,1202 2.523,1203 2.245,1204 2.093,1205 3.674,1206 2.115,1207 2.325,1208 2.435,1209 2.137,1210 1.957,1211 3.321,1212 1.984,1213 0.246,1214 0.171,1215 0.362,1216 0.221,1217 0.17,1218 4.666,1219 0.243,1220 3.244,1222 6.884,1223 0.605,1224 4.201,1225 0.165,1226 3.229,1227 4.626,1229 11.489,1230 3.139,1231 1.94,1232 1.914,1233 2.026,1234 2.036,1235 1.135,1236 2.033,1237 1.744,1238 1.702,1239 1.803,1240 1.927,1241 0.841,1242 1.897,1243 1.306,1244 1.225,1245 1.43,1246 1.642,1247 0.342,1248 1.589,1249 0.928,1250 0.83,1251 1.203,1252 1.293,1253 0.218,1254 1.28,1255 0.886,1256 0.821,1257 1.181,1258 1.201,1260 1.192,1261 0.784,1262 0.69,1263 1.121,1264 1.062,1266 1.107,1267 0.735,1268 0.615,1269 0.96,1270 0.991,1272 0.988,1273 0.269,1274 0.125,1275 0.703,1276 0.581,1278 0.63,1279 3.664,1281 4.99,1282 2.398,1283 6.524,1284 4.727,1285 8.151,1286 6.862,1287 9.827,1293 11.48,1305 18.182,1306 41.599,1307 93.163,1308 108.382,1309 116.382,1310 116.382,1311 116.382,1312 18.007,1313 6.455,1314 106.5,1315 106.5,1316 17,1317 12.189,1318 4.087,1319 3.17,1320 23.646,1321 41,1322 45,1323 0.294,1324 114.38,1325 176.6,1326 270.847,1327 4495,1329 11.828,1330 0.696,1331 0.523,1332 11.828,1333 8.883,1334 8.254,1335 0.434,1336 0.266,1337 4.977,1338 7.918,1339 4.895,1340 4.075,1341 8.254,1342 5.06,1343 7.507,1344 0.278,1345 0.136,1346 7.507,1347 3.678,1348 6.467,1349 0.175,1350 0.07,1351 6.467,1352 2.58,1353 5.523,1354 0.11,1355 0.035,1356 5.523,1357 1.737,1358 4.424,1359 0.073,1360 0.018,1361 4.424,1362 1.114,1363 0.436,1364 51.918,1365 0.279,1366 16.737,1367 0.885,1368 92,1369 265.893,1370 101.103,1371 268.146,1372 375.8,1373 250,1374 110,1375 292.071,1376 119.603,1377 298.314,1378 434.38,1379 280,1380 4.854}
{0 CHEMBL1241357,1 1.541,2 6.353,3 0.884,4 0.781,5 65.758,6 8.38,7 0.842,8 3.459,9 3.606,10 3.118,11 2.97,12 4.736,13 2.993,14 3.87,15 4.029,16 3.47,17 3.345,18 5.112,19 3.349,20 4.019,21 4.198,22 3.467,23 3.401,24 5.2,25 3.381,26 4.092,27 4.32,28 3.397,29 3.319,30 5.292,31 3.283,32 4.015,33 4.268,34 3.122,35 3.171,36 5.115,37 3.111,38 3.795,39 4.051,40 2.939,41 2.928,42 4.971,43 2.885,44 3.596,45 3.878,46 2.517,47 2.626,48 4.785,49 2.515,50 3.154,51 3.475,52 1.546,53 2.045,54 4.169,55 1.879,56 0.097,57 0.487,58 4.632,59 1.712,60 11.333,61 2.138,62 0.142,63 0.718,64 7.382,65 3.067,66 13.944,67 3.972,68 0.128,69 0.784,70 9.057,71 3.552,72 14.416,73 4.775,74 0.25,75 0.769,76 11.503,77 3.782,78 25.499,79 5.362,80 0.233,81 0.662,82 11.527,83 3.226,84 23.694,85 4.694,86 0.199,87 0.53,88 9.324,89 2.399,90 22.694,91 3.546,92 0.184,93 0.391,94 8.225,95 2.38,96 24.028,97 3.577,98 0.144,99 0.214,100 5.831,101 1.183,102 18.722,103 1.858,104 5,105 27,106 0.296,107 0.662,108 0.799,109 0.884,110 0.884,111 0.884,112 2.911,113 0.799,114 -3.3,115 -3.29,116 -3.15,119 40.7,142 4,143 2,144 1,147 1,148 1,149 1,152 1,163 2,164 2,165 2,168 1,172 4,174 2,175 3,177 1,178 1,180 5,183 5,185 3,187 1,190 1,192 4,195 4,197 2,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 1,209 2,212 5,216 1,217 4,219 1,220 1,222 3,224 3,226 1,227 1,229 1,234 1,237 2,239 2,240 2,241 1,242 1,244 2,247 1,248 1,275 288,276 11.569,277 11.569,278 11.569,279 11.569,280 11.569,281 9.654,282 6.325,283 6.781,284 11.811,285 9.382,286 9.382,287 9.382,288 9.382,289 9.382,290 6.578,291 5,292 3.202,293 9.765,294 3.214,295 1.304,296 0.593,297 0.148,298 0.148,299 0.148,300 3.586,304 1,305 1,306 234,307 1.732,310 29.314,311 82.356,314 56.484,318 0.962,319 14.185,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 37,331 108,332 4.668,333 3.247,334 6.886,335 4.204,336 3.231,337 4.627,339 11.497,340 3.142,341 4.047,342 2.674,343 5.877,344 3.609,345 2.631,346 3.675,348 8.142,349 2.571,350 3.51,351 2.22,352 5.043,353 3.097,354 2.136,355 2.882,357 5.916,358 2.05,359 3.414,360 2.045,361 5.015,362 2.911,363 1.984,364 2.799,366 5.672,367 1.836,368 2.964,369 1.512,370 4.324,371 2.44,372 1.492,373 2.178,375 3.874,376 1.411,377 2.681,378 1.216,379 3.8,380 2.181,381 1.204,382 1.766,384 2.742,385 1.174,386 2.5,387 1,388 3.472,389 1.96,390 1,391 1.5,393 2.457,394 0.958,395 2.159,396 0.752,397 3.305,398 1.663,399 0.708,400 1.01,402 1.755,403 0.674,404 1.049,405 -0.182,406 2.486,407 0.617,408 -0.307,409 -0.395,411 -0.707,412 -0.281,413 0.952,414 -0.249,415 2.364,416 0.554,417 -0.402,418 -0.51,420 -0.896,421 -0.385,422 0.765,423 -0.618,424 2,425 0.336,426 -0.633,427 -0.854,428 -1.74,429 -0.612,430 0.5,431 -1,432 2,433 -0.038,434 -1,435 -1.5,436 -2.675,437 -0.954,438 0.081,439 -1.188,440 1.861,441 -0.346,442 -1.276,443 -1.725,445 -3.312,446 -1.187,447 -0.086,448 -1.278,449 1.527,450 -0.426,451 -1.382,452 -1.844,454 -3.409,455 -1.326,456 -0.134,457 -1.523,458 1.257,459 -0.592,460 -1.547,461 -2.167,463 -4.463,464 -1.474,465 7.9,466 0.465,467 0.418,468 0.025,469 26.5,470 1.559,471 15,472 0.882,473 11.5,474 0.676,475 8.701,476 0.512,477 17.3,478 0.641,479 16.237,480 0.955,481 5.34,482 0.314,483 2.914,484 0.171,485 0.101,487 0.38,493 1.131,494 1.044,495 0.756,496 0.735,497 1.331,498 0.681,499 0.702,500 1.036,501 0.697,502 0.931,503 0.605,504 0.835,505 0.869,506 1.358,507 0.915,508 1.251,509 0.915,510 1.122,511 0.767,512 1.028,513 0.934,514 1.098,515 0.767,516 1.059,517 1.251,518 1.002,519 1.165,520 1.001,521 1.014,522 1.054,523 1.345,524 1.021,525 1.137,526 0.932,527 1.309,528 0.981,529 0.836,530 0.839,531 1.15,532 1.12,533 0.819,534 1.185,535 1.837,536 0.559,537 1.66,538 0.787,539 2.162,540 1.114,541 3,543 2,544 1.313,545 1.006,546 0.295,547 0.279,548 0.099,549 0.02,551 2226,552 6642,553 2.127,554 37,556 4,558 1,559 5,564 1.574,565 2,566 2.734,567 3.117,571 1,573 41.599,574 1.541,575 3.45,576 4.162,577 4.607,578 4.607,579 4.607,580 2.162,581 3.852,582 4.064,583 2.792,584 379.759,585 6.891,586 3335.39,588 1,591 128.382,592 1.379,593 4.023,594 0.158,596 0.074,597 0.05,598 0.044,599 0.017,600 0.02,601 0.012,602 0.01,604 0.386,605 0.5,606 1,607 0.604,608 68.429,609 -0.208,610 0.131,611 -0.015,612 0.202,613 -0.381,614 0.145,615 0.126,616 0.08,617 0.082,618 0.054,619 0.106,620 0.058,621 -0.05,622 -0.311,623 -0.087,624 -0.265,625 -0.109,626 -0.198,627 0.214,628 -0.055,629 0.02,630 -0.147,631 0.159,632 -0.111,633 -0.23,634 -0.076,635 -0.158,636 -0.058,637 -0.097,638 -0.087,639 -0.246,640 -0.09,641 -0.115,642 -0.019,643 -0.171,644 -0.036,645 0.193,646 0.005,647 -0.053,648 -0.159,649 0.327,650 -0.157,651 -0.619,652 0.241,653 -0.474,654 0.111,655 -0.702,656 -0.103,657 1.263,658 1.835,659 0.882,660 8.879,661 1.014,662 1.141,663 2.074,664 4.302,665 0.687,666 2.996,667 3.332,668 3.638,669 3.951,670 4.127,671 4.143,672 4.205,673 4.263,674 4.143,675 4.007,676 4.002,677 0.673,678 226.27,679 2.996,680 4.533,681 5.398,682 6.293,683 7.179,684 8.081,685 8.973,686 9.878,687 10.775,688 11.68,689 22.2,693 2,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 2,731 27,733 16,734 1,735 19,737 29,738 11,739 11,740 2,741 4,746 3,747 4,761 11,778 1,781 10,782 5,783 5,784 6,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,848 17,849 2,877 8.5,878 4.683,879 3.694,880 1.368,881 3.189,882 1.494,883 1.069,884 2.196,885 9.644,886 3.332,887 4.021,888 4.702,889 5.377,890 5.91,891 6.241,892 6.667,893 7.104,894 7.278,895 7.53,896 1,897 26,898 6.182,900 2.639,901 7.824,902 11.548,904 9.379,905 2.324,906 39.5,907 0.001,910 58.856,911 61.839,912 132.691,917 61.839,918 58.856,919 132.691,922 103.699,923 62.005,924 35.512,925 5.085,926 47.084,928 58.856,929 194.53,933 60.571,937 25.282,938 117.299,939 50.234,941 58.856,942 132.691,943 61.839,946 58.856,947 15.315,948 46.524,949 16.663,950 116.028,951 58.856,952 132.691,953 61.839,955 0.584,956 0.348,957 0.201,958 0.107,959 15,960 6,961 0.034,962 1,963 1,964 1.133,965 2.925,966 124.964,967 0.133,968 15,969 69.487,974 10.052,975 3.714,976 1.607,977 1.271,978 116.028,979 8.857,980 12.098,981 2.91,984 2.779,986 82.457,987 253.386,988 27,999 27.378,1000 30.82,1001 0.324,1002 0.726,1003 0.875,1004 0.969,1005 0.969,1006 0.969,1007 4.543,1008 0.708,1009 5.389,1010 2.457,1011 4.007,1012 4.705,1014 6.232,1015 3.934,1016 5.784,1017 -0.307,1018 6.963,1019 1.755,1020 3.611,1021 4.559,1023 7.213,1024 3.512,1025 7.11,1026 -0.402,1027 8.642,1028 -0.707,1029 5.617,1030 7.031,1032 10.363,1033 5.486,1034 8.479,1035 -0.633,1036 10.386,1037 -0.896,1038 6.066,1039 7.764,1041 12.233,1042 5.915,1043 9.883,1044 -1,1045 12.172,1046 -1.74,1047 7.548,1048 9.678,1050 14.906,1051 7.37,1052 11.313,1053 -1.276,1054 13.99,1055 -2.675,1056 8.392,1057 10.834,1059 17.128,1060 8.191,1061 12.764,1062 -1.382,1063 15.83,1064 -3.312,1065 9.669,1066 12.516,1068 19.645,1069 9.442,1070 3.231,1071 -1.547,1072 17.689,1073 -3.409,1074 10.694,1075 13.875,1077 22.003,1078 10.441,1079 2.631,1080 11.497,1081 19.561,1082 -4.463,1083 11.895,1084 15.462,1086 24.469,1087 11.616,1088 2.136,1089 8.142,1090 21.444,1091 4.627,1092 13,1093 16.914,1095 26.878,1096 12.693,1097 1.984,1098 5.916,1099 23.336,1100 3.675,1101 14.175,1102 18.464,1104 29.327,1105 13.841,1106 1.492,1107 5.672,1108 25.235,1109 2.882,1110 15.315,1111 19.958,1113 31.756,1114 14.952,1115 1.204,1116 3.874,1117 27.139,1118 2.799,1119 16.483,1120 21.494,1122 34.2,1123 16.093,1124 1,1125 2.742,1126 29.048,1127 2.178,1128 17.639,1129 23.007,1131 36.636,1132 17.22,1133 2191,1134 3877,1135 12.83,1136 18.557,1137 29.149,1138 28.662,1139 29.969,1140 28.801,1141 28.773,1142 40.876,1144 84.113,1145 27.633,1146 5.323,1147 5.247,1148 6.439,1149 5.276,1150 5.231,1151 7.627,1153 18.697,1154 5.142,1155 6.617,1156 1.534,1157 1.509,1158 1.577,1159 1.516,1160 1.514,1161 2.151,1163 4.427,1164 1.454,1165 4.107,1166 4.154,1167 4.086,1168 3.978,1169 5.285,1170 3.997,1171 3.826,1172 3.868,1173 3.769,1174 3.715,1175 5.105,1176 3.727,1177 3.323,1178 3.422,1179 3.256,1180 3.041,1181 4.908,1182 3.081,1183 3.043,1184 3.15,1185 2.925,1186 2.809,1187 4.551,1188 2.815,1189 2.99,1190 3.099,1191 2.849,1192 2.711,1193 4.414,1194 2.748,1195 2.77,1196 2.845,1197 2.634,1198 2.596,1199 3.751,1200 2.6,1201 2.383,1202 2.521,1203 2.211,1204 2.037,1205 3.541,1206 2.067,1207 2.333,1208 2.437,1209 2.081,1210 1.988,1211 3.327,1212 1.988,1213 0.246,1214 0.171,1215 0.362,1216 0.221,1217 0.17,1218 4.668,1219 0.244,1220 3.247,1222 6.886,1223 0.605,1224 4.204,1225 0.165,1226 3.231,1227 4.627,1229 11.497,1230 3.142,1231 1.94,1232 1.915,1233 2.026,1234 2.036,1235 1.135,1236 2.033,1237 1.743,1238 1.702,1239 1.803,1240 1.926,1241 0.841,1242 1.896,1243 1.3,1244 1.219,1245 1.424,1246 1.636,1247 0.352,1248 1.583,1249 0.984,1250 0.899,1251 1.271,1252 1.305,1253 0.187,1254 1.304,1255 0.881,1256 0.794,1257 1.169,1258 1.238,1259 0.011,1260 1.23,1261 0.784,1262 0.683,1263 1.032,1264 1.062,1266 1.062,1267 0.63,1268 0.539,1269 0.912,1270 0.854,1272 0.883,1273 0.362,1274 0.201,1275 0.831,1276 0.713,1278 0.762,1279 3.664,1281 4.99,1282 2.398,1283 6.524,1284 4.727,1285 8.153,1286 6.862,1287 9.832,1293 11.585,1305 18.182,1306 41.599,1307 93.163,1308 112.382,1309 124.382,1310 124.382,1311 124.382,1312 18.186,1313 6.455,1314 106.5,1315 106.5,1316 17,1317 12.2,1318 4.087,1319 3.17,1320 23.578,1321 40,1322 36,1323 0.302,1324 114.38,1325 176.6,1326 270.847,1327 4495,1329 11.828,1330 0.696,1331 0.523,1332 11.828,1333 8.883,1334 8.254,1335 0.434,1336 0.266,1337 4.977,1338 7.918,1339 4.894,1340 4.076,1341 8.254,1342 5.06,1343 7.519,1344 0.278,1345 0.136,1346 7.519,1347 3.682,1348 6.383,1349 0.173,1350 0.069,1351 6.383,1352 2.555,1353 5.679,1354 0.111,1355 0.035,1356 5.679,1357 1.782,1358 4.399,1359 0.072,1360 0.018,1361 4.399,1362 1.106,1363 0.443,1364 51.918,1365 0.279,1366 16.64,1367 0.921,1368 92,1369 265.893,1370 101.103,1371 268.211,1372 375.82,1373 250,1374 110,1375 292.071,1376 119.603,1377 298.45,1378 434.63,1379 280,1380 4.77}
{0 CHEMBL1241358,1 1.808,2 7.842,3 1.388,4 1.927,5 69.825,6 9.491,7 0.762,8 3.487,9 3.606,10 3.239,11 2.974,12 4.872,13 3.027,14 3.904,15 4.029,16 3.595,17 3.353,18 5.417,19 3.395,20 4.049,21 4.203,22 3.612,23 3.406,24 5.401,25 3.439,26 4.123,27 4.299,28 3.532,29 3.32,30 5.562,31 3.346,32 4.012,33 4.234,34 3.179,35 3.129,36 5.258,37 3.118,38 3.712,39 3.932,40 3,41 2.889,42 4.947,43 2.881,44 3.59,45 3.821,46 2.854,47 2.619,48 4.986,49 2.629,50 3.277,51 3.482,52 2.719,53 2.192,54 4.831,55 2.289,56 0.196,57 0.488,58 3.159,59 1.69,60 12.612,61 1.701,62 0.315,63 0.719,64 5.276,65 2.962,66 45.902,67 3.06,68 0.303,69 0.785,70 6.916,71 3.388,72 26.258,73 3.683,74 0.46,75 0.754,76 9.014,77 3.603,78 51.506,79 3.728,80 0.452,81 0.621,82 10.388,83 3.035,84 55.928,85 3.392,86 0.268,87 0.489,88 6.926,89 2.308,90 26.993,91 2.869,92 0.304,93 0.377,94 7.178,95 2.05,96 34.432,97 2.741,98 0.257,99 0.237,100 5.478,101 1.614,102 25.157,103 2.086,104 11,105 30,106 0.342,107 0.701,108 0.788,109 0.816,110 0.816,111 0.816,112 3.011,113 0.766,114 -3.89,115 -3.85,116 -3.65,119 40.7,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 2,168 1,172 4,174 2,175 6,177 1,178 2,180 2,183 5,185 1,186 1,187 8,192 1,195 4,198 1,199 9,201 2,202 3,203 1,204 3,206 1,207 2,209 1,212 6,217 4,222 2,223 1,224 5,229 2,234 2,236 2,237 2,240 1,249 2,252 1,253 3,262 4,265 2,266 2,275 397,276 12.776,277 12.776,278 12.776,279 12.776,280 12.776,281 10.609,282 8.116,283 7.38,284 13.054,285 10.333,286 10.333,287 10.333,288 10.333,289 10.333,290 7.142,291 7.643,292 3.441,293 10.758,294 2.947,295 1.051,296 0.593,297 0.444,298 0.444,299 0.444,300 3.688,304 1,305 1,306 320,307 2.449,310 36.678,311 99.381,314 69.919,318 1.235,319 24.631,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 43,331 149,332 4.667,333 3.778,334 6.884,335 4.202,336 3.23,337 4.626,338 2.612,339 11.489,340 3.14,341 4.246,342 3.242,343 5.959,344 3.737,345 2.766,346 3.948,348 8.33,349 2.685,350 3.852,351 2.564,352 5.785,353 3.393,354 2.426,355 3.363,357 7.738,358 2.344,359 3.424,360 2.093,361 5.034,362 2.921,363 1.995,364 2.81,366 5.677,367 1.844,368 3.193,369 1.983,370 4.482,371 2.573,372 1.62,373 2.504,375 4.253,376 1.54,377 2.848,378 1.479,379 3.868,380 2.213,381 1.248,382 1.962,384 2.95,385 1.202,386 2.528,387 1.057,388 3.688,389 2,390 1,391 1.528,393 2.529,394 1,395 2.5,396 1,397 3.414,398 1.961,399 1,400 1.5,402 2.275,403 0.959,404 2.173,405 1,406 3.304,407 1.672,408 0.716,409 1.026,411 1.765,412 0.683,413 1.061,414 0.779,415 2.465,416 0.644,417 -0.291,418 -0.372,420 -0.675,421 -0.269,422 1,423 -0.132,424 2.363,425 0.502,426 -0.451,427 -0.628,428 -1.08,429 -0.433,430 0.983,431 -0.304,432 2,433 0.028,434 -0.926,435 -1.341,436 -2,437 -0.877,438 0.555,439 -0.864,440 2,442 -1,443 -1.5,445 -2.433,446 -1,447 0.5,448 -1,449 1.88,451 -1,452 -1.712,454 -3,455 -1,456 0.078,457 -1.173,458 1.737,459 -0.358,460 -1.277,461 -1.966,463 -3.311,464 -1.175,465 8.567,466 0.451,467 0.507,468 0.027,469 30.5,470 1.605,471 17.5,472 0.921,473 13,474 0.684,475 9.366,476 0.493,477 19.633,478 0.727,479 20.043,480 1.055,481 6.147,482 0.324,483 3.018,484 0.159,485 0.125,487 0.397,493 0.545,494 1.042,495 0.606,496 0.751,497 0.619,498 0.693,499 0.543,500 1.036,501 0.647,502 0.944,503 0.418,504 0.849,505 0.783,506 1.336,507 0.836,508 1.219,509 0.573,510 1.075,511 1.073,512 1.023,513 1.141,514 1.154,515 1.057,516 1.182,517 1.268,518 0.959,519 1.345,520 0.913,521 1.069,522 1.077,523 0.828,524 1.112,525 1.102,526 1.121,527 0.62,528 1.155,529 0.813,530 0.943,531 0.999,532 1.039,533 0.856,534 1.059,535 0.902,536 0.645,537 0.641,538 1.042,539 1.45,540 0.854,541 3.5,542 0.025,543 2.667,544 1.438,545 1.086,546 0.5,547 0.246,548 0.233,549 0.198,550 0.044,551 3132,552 12405,553 2.081,554 29.6,556 4,558 1,559 3,564 1.603,565 1.932,566 2.962,567 1.303,571 1,573 48.818,574 1.808,575 3.704,576 4.162,577 4.31,578 4.31,579 4.31,580 2.484,581 3.787,582 4.219,583 3.088,584 528.037,585 7.184,586 5043.41,587 1,588 1,591 128.382,592 1.462,593 4.171,594 0.167,595 0.012,596 0.089,597 0.048,598 0.042,599 0.028,600 0.016,601 0.019,602 0.02,603 0.006,604 0.447,605 0.67,606 1,607 0.868,608 81.371,609 0.12,610 0.133,611 0.013,612 0.189,613 -0.088,614 0.097,615 0.165,616 0.08,617 0.043,618 0.044,619 0.213,620 0.015,621 -0.091,622 -0.287,623 -0.041,624 -0.232,625 0.019,626 -0.141,627 -0.137,628 -0.048,629 -0.21,630 -0.199,631 -0.121,632 -0.238,633 -0.358,634 -0.06,635 -0.254,636 0.058,637 -0.22,638 -0.018,639 -0.103,640 -0.165,641 -0.07,642 -0.155,643 -0.049,644 -0.099,645 0.15,646 -0.085,647 0.183,648 -0.074,649 0.051,650 0.042,651 0.463,652 0.143,653 0.629,654 -0.073,655 0.057,656 0.223,657 2.454,658 3.609,659 0.789,660 12.51,661 1.043,662 1.142,663 2.665,664 7.1,665 0.693,666 3.091,667 3.434,668 3.738,669 4.007,670 4.19,671 4.263,672 4.357,673 4.443,674 4.431,675 4.29,676 4.721,677 0.707,678 256.25,679 3.091,680 4.635,681 5.501,682 6.392,683 7.277,684 8.174,685 9.066,686 9.966,687 10.862,688 11.763,689 22.2,693 1,697 1,699 3,700 1,703 2,704 5,705 3,706 1,709 4,711 16,722 1,725 1,731 27,733 18,734 1,735 21,737 29,738 11,739 11,740 2,741 4,746 3,747 4,761 11,766 2,768 1,771 2,778 1,781 8,782 6,783 3,784 8,790 6,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,848 19,849 1,870 7.4,876 2,877 9.833,878 4.883,879 4.139,880 1.401,881 3.379,882 1.506,883 1.023,884 2.616,885 10.057,886 3.466,887 4.155,888 4.805,889 5.448,890 5.981,891 6.365,892 6.828,893 7.254,894 7.547,895 7.826,896 1,897 30,898 6.914,900 3.005,901 8.211,902 12.511,904 10.074,905 2.711,906 51.5,910 58.856,911 61.839,912 105.464,914 50.747,917 61.839,918 109.602,919 105.464,920 5.67,922 70.802,923 63.72,924 36.554,925 2.328,926 47.084,927 50.747,928 58.856,929 167.303,930 50.747,933 58.856,935 50.747,937 29.754,938 81.645,939 55.904,941 58.856,942 156.211,943 61.839,946 58.856,947 15.315,948 52.194,949 16.663,950 133.878,951 58.856,952 156.211,953 61.839,955 0.59,956 0.353,957 0.188,958 0.097,959 16,960 7,961 0.069,962 2,963 1,964 1.133,965 3.109,966 143.645,967 0.133,968 15,969 74.711,974 11.564,975 4.298,976 1.9,977 1.136,978 133.878,979 7.39,980 12.05,981 2.75,984 1.612,986 49.56,987 276.906,988 31,990 -0.454,993 21.218,999 28.149,1000 30.824,1001 0.38,1002 0.779,1003 0.875,1004 0.907,1005 0.907,1006 0.907,1007 4.682,1008 1,1009 5.501,1010 2.529,1011 4.111,1012 4.84,1013 2.501,1014 6.347,1015 4.038,1016 5.932,1017 0.716,1018 7.086,1019 2.275,1020 3.761,1021 4.783,1022 2.361,1023 7.353,1024 3.662,1025 7.268,1026 -0.291,1027 8.774,1028 1.765,1029 5.733,1030 7.176,1031 4.154,1032 10.469,1033 5.599,1034 8.646,1035 -0.451,1036 10.524,1037 -0.675,1038 6.217,1039 7.967,1040 4.506,1041 12.333,1042 6.06,1043 10.056,1044 -0.926,1045 12.313,1046 -1.08,1047 7.673,1048 9.824,1049 5.948,1050 14.979,1051 7.486,1052 11.489,1053 -1,1054 14.129,1055 -2,1056 8.525,1057 11.002,1058 6.556,1059 17.185,1060 8.315,1061 12.941,1062 -1,1063 15.966,1064 -2.433,1065 9.786,1066 12.65,1067 7.794,1068 19.685,1069 9.548,1070 3.23,1071 -1.277,1072 17.818,1073 -3,1074 10.805,1075 14.01,1076 8.548,1077 22.031,1078 10.542,1079 2.766,1080 11.489,1081 19.682,1082 -3.311,1083 11.994,1084 15.576,1085 9.67,1086 24.487,1087 11.704,1088 2.426,1089 8.33,1090 21.556,1091 4.626,1092 13.089,1093 17.02,1094 10.509,1095 26.888,1096 12.772,1097 1.995,1098 7.738,1099 23.438,1100 3.948,1101 14.254,1102 18.555,1103 11.563,1104 29.332,1105 13.91,1106 1.62,1107 5.677,1108 25.327,1109 3.363,1110 15.384,1111 20.04,1112 12.452,1113 31.756,1114 15.013,1115 1.248,1116 4.253,1117 27.221,1118 2.81,1119 16.543,1120 21.565,1121 13.468,1122 34.196,1123 16.145,1124 1,1125 2.95,1126 29.121,1127 2.504,1128 17.691,1129 23.07,1130 14.386,1131 36.63,1132 17.264,1133 3097,1134 6264,1135 13.929,1136 18.705,1137 32.293,1138 33.383,1139 33.41,1140 32.031,1141 32.003,1142 46.536,1143 5.225,1144 94.014,1145 30.795,1146 5.334,1147 5.778,1148 6.429,1149 5.274,1150 5.23,1151 7.626,1152 4.612,1153 18.665,1154 5.14,1155 9.111,1156 1.538,1157 1.59,1158 1.591,1159 1.525,1160 1.524,1161 2.216,1162 0.249,1163 4.477,1164 1.466,1165 4.116,1166 4.161,1167 4.095,1168 3.982,1169 7.815,1170 4.002,1171 3.915,1172 3.95,1173 3.887,1174 3.741,1175 6.999,1176 3.765,1177 3.479,1178 3.51,1179 3.452,1180 3.103,1181 5.278,1182 3.181,1183 3.262,1184 3.359,1185 3.196,1186 2.881,1187 4.917,1188 2.959,1189 2.991,1190 3.094,1191 2.888,1192 2.735,1193 4.667,1194 2.736,1195 2.854,1196 2.925,1197 2.687,1198 2.692,1199 4.477,1200 2.715,1201 2.612,1202 2.685,1203 2.494,1204 2.333,1205 3.728,1206 2.383,1207 2.28,1208 2.378,1209 2.085,1210 1.943,1211 3.674,1212 1.963,1213 0.222,1214 0.18,1215 0.328,1216 0.2,1217 0.154,1218 4.667,1219 0.22,1220 3.778,1221 0.124,1222 6.884,1223 0.547,1224 4.202,1225 0.15,1226 3.23,1227 4.626,1228 2.612,1229 11.489,1230 3.14,1231 1.949,1232 1.927,1233 2.027,1234 2.09,1235 1.137,1236 2.058,1237 1.768,1238 1.726,1239 1.825,1240 1.982,1241 0.869,1242 1.937,1243 1.327,1244 1.275,1245 1.396,1246 1.72,1247 0.327,1248 1.624,1249 1.078,1250 1.007,1251 1.224,1252 1.515,1253 0.218,1254 1.444,1255 0.886,1256 0.821,1257 1.181,1258 1.201,1259 0.047,1260 1.184,1261 0.836,1262 0.775,1263 1.094,1264 1.068,1266 1.107,1267 0.765,1268 0.644,1269 0.976,1270 1.062,1272 1.058,1273 0.343,1274 0.283,1275 0.633,1276 0.603,1278 0.629,1279 3.761,1281 5.094,1282 2.398,1283 6.629,1284 4.727,1285 8.256,1286 6.862,1287 9.93,1293 5.798,1305 19.085,1306 48.818,1307 100.017,1308 112.382,1309 116.382,1310 116.382,1311 116.382,1312 28.373,1313 6.678,1314 126.3,1315 126.3,1316 17,1317 12.285,1318 4.248,1319 3.459,1320 27.83,1321 53,1322 52,1323 0.267,1324 119.445,1325 191.54,1326 283.206,1327 6007,1329 13.405,1330 0.706,1331 0.504,1332 13.405,1333 9.569,1334 9.165,1335 0.436,1336 0.255,1337 5.243,1338 8.617,1339 5.188,1340 4.298,1341 9.165,1342 5.36,1343 8.406,1344 0.28,1345 0.129,1346 8.406,1347 3.859,1348 7.166,1349 0.175,1350 0.067,1351 7.166,1352 2.739,1353 6.049,1354 0.112,1355 0.034,1356 6.049,1357 1.832,1358 4.628,1359 0.071,1360 0.018,1361 4.628,1362 1.151,1363 0.405,1364 58.992,1365 0.268,1366 18.725,1367 0.771,1368 102,1369 379.697,1370 116.253,1371 367.659,1372 494.28,1373 338,1374 122,1375 374.591,1376 136.589,1377 372.324,1378 538.5,1379 348,1380 4}
{0 CHEMBL1241389,1 1.808,2 7.158,3 1.388,4 1.927,5 69.825,6 9.491,7 0.762,8 3.487,9 3.606,10 3.239,11 2.974,12 4.872,13 3.027,14 3.904,15 4.029,16 3.595,17 3.353,18 5.418,19 3.395,20 4.049,21 4.203,22 3.612,23 3.406,24 5.398,25 3.439,26 4.123,27 4.299,28 3.561,29 3.325,30 5.543,31 3.359,32 4.023,33 4.23,34 3.325,35 3.164,36 5.346,37 3.185,38 3.844,39 4.045,40 3.199,41 2.951,42 5.279,43 2.985,44 3.668,45 3.875,46 3.019,47 2.677,48 5.137,49 2.72,50 3.385,51 3.603,52 2.615,53 2.139,54 5.256,55 2.203,56 0.196,57 0.488,58 3.159,59 1.69,60 12.612,61 1.701,62 0.315,63 0.719,64 5.276,65 2.962,66 46.013,67 3.06,68 0.303,69 0.785,70 6.916,71 3.388,72 25.592,73 3.683,74 0.459,75 0.76,76 9.177,77 3.604,78 56.37,79 3.787,80 0.422,81 0.649,82 9.493,83 2.94,84 44.348,85 3.196,86 0.393,87 0.53,88 8.03,89 2.414,90 47.215,91 2.762,92 0.332,93 0.402,94 7.063,95 2.237,96 30.904,97 2.761,98 0.396,99 0.228,100 6.674,101 1.433,102 57.579,103 1.857,104 11,105 30,106 0.342,107 0.701,108 0.816,109 0.872,110 0.872,111 0.872,112 3.012,113 0.766,114 -3.89,115 -3.85,116 -3.65,119 40.7,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 2,168 1,172 4,174 2,175 6,177 1,178 2,180 2,183 5,185 1,186 1,187 8,192 1,195 4,198 1,199 8,201 2,202 3,203 1,204 3,206 1,207 1,209 1,211 1,212 8,217 3,220 1,222 2,223 2,224 4,227 1,229 2,234 1,236 2,237 2,239 1,240 3,242 1,247 1,249 4,252 2,253 2,275 394,276 12.776,277 12.776,278 12.776,279 12.776,280 12.776,281 10.609,282 8.116,283 7.424,284 13.054,285 10.35,286 10.35,287 10.35,288 10.35,289 10.35,290 7.148,291 7.643,292 3.473,293 10.774,294 2.947,295 1.051,296 0.444,297 0.148,298 0.148,299 0.148,300 3.688,304 1,305 1,306 291,307 2.449,310 34.419,311 97.197,314 66.172,318 1.025,319 25.15,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 43,331 136,332 4.67,333 3.78,334 6.887,335 4.207,336 3.234,337 4.629,338 2.612,339 11.501,340 3.145,341 4.261,342 3.241,343 6.028,344 3.758,345 2.786,346 3.97,348 8.612,349 2.704,350 3.812,351 2.573,352 5.714,353 3.336,354 2.371,355 3.306,357 7.464,358 2.286,359 3.424,360 2.089,361 5.034,362 2.92,363 1.994,364 2.81,366 5.677,367 1.843,368 3.202,369 1.945,370 4.471,371 2.596,372 1.635,373 2.521,375 4.214,376 1.568,377 2.83,378 1.452,379 3.866,380 2.257,381 1.295,382 1.958,384 2.995,385 1.242,386 2.596,387 1.187,388 3.672,389 2,390 1,391 1.593,393 2.528,394 1,395 2.5,396 1,397 3.435,398 1.959,399 1,400 1.5,402 2.322,403 0.956,404 2.158,405 1,406 3.303,407 1.661,408 0.706,409 1.009,411 1.751,412 0.673,413 1.048,414 0.752,415 2.484,416 0.609,417 -0.309,418 -0.397,420 -0.713,421 -0.283,422 1,423 -0.183,424 2.364,425 0.403,426 -0.57,427 -0.792,428 -1.426,429 -0.556,430 0.861,431 -0.454,432 2,433 0.206,434 -0.776,435 -1.101,436 -2,437 -0.76,438 0.682,439 -0.643,440 2,442 -1,443 -1.5,445 -2.133,446 -0.955,447 0.5,448 -1,449 1.861,450 -0.038,451 -1,452 -1.731,454 -2.701,455 -1,456 0.07,457 -1.192,458 1.554,459 -0.366,460 -1.289,461 -2,463 -3.316,464 -1.194,465 8.567,466 0.451,467 0.507,468 0.027,469 30.5,470 1.605,471 17.5,472 0.921,473 13,474 0.684,475 9.443,476 0.497,477 19.633,478 0.727,479 20.265,480 1.067,481 6.147,482 0.324,483 3.018,484 0.159,485 0.125,487 0.397,493 0.545,494 1.042,495 0.606,496 0.751,497 0.619,498 0.693,499 0.543,500 1.036,501 0.647,502 0.944,503 0.417,504 0.849,505 0.783,506 1.336,507 0.836,508 1.219,509 0.578,510 1.075,511 1.056,512 1.043,513 1.063,514 1.119,515 1.075,516 1.115,517 1.206,518 1.015,519 1.22,520 0.989,521 0.973,522 1.053,523 1.085,524 1.048,525 1.121,526 0.987,527 1.071,528 1.036,529 0.898,530 0.887,531 0.985,532 1.173,533 1.12,534 1.128,535 1.121,536 0.489,537 1.176,538 0.675,539 1.424,540 0.906,541 3.5,543 2.444,544 1.438,545 1.086,546 0.476,547 0.305,548 0.306,549 0.054,550 0.031,551 2988,552 11649,553 2.081,554 29.6,556 4,558 1,559 3,564 1.607,565 1.932,566 2.884,567 1.303,571 1,573 48.818,574 1.808,575 3.704,576 4.31,577 4.607,578 4.607,579 4.607,580 2.249,581 3.682,582 4.223,583 2.964,584 506.818,585 7.211,586 4845.83,587 1,588 1,591 128.382,592 1.462,593 4.171,594 0.167,596 0.081,597 0.048,598 0.04,599 0.023,600 0.017,601 0.022,602 0.007,603 0.016,604 0.42,605 0.67,606 1,607 0.868,608 80.589,609 0.12,610 0.133,611 0.013,612 0.189,613 -0.088,614 0.097,615 0.165,616 0.08,617 0.043,618 0.044,619 0.214,620 0.015,621 -0.091,622 -0.287,623 -0.041,624 -0.232,625 0.014,626 -0.141,627 -0.119,628 -0.069,629 -0.129,630 -0.162,631 -0.136,632 -0.169,633 -0.302,634 -0.074,635 -0.197,636 -0.046,637 -0.142,638 -0.056,639 -0.093,640 -0.121,641 -0.078,642 -0.056,643 -0.103,644 -0.055,645 0.194,646 -0.013,647 0.15,648 -0.229,649 -0.016,650 -0.099,651 0.478,652 0.252,653 0.184,654 0.238,655 0.439,656 0.135,657 2.46,658 3.781,659 0.789,660 11.091,661 1.043,662 1.142,663 2.665,664 7.1,665 0.693,666 3.091,667 3.434,668 3.738,669 4.025,670 4.22,671 4.263,672 4.369,673 4.443,674 4.369,675 4.29,676 4.443,677 0.707,678 256.25,679 3.091,680 4.635,681 5.501,682 6.395,683 7.283,684 8.182,685 9.077,686 9.979,687 10.878,688 11.782,689 22.2,693 1,697 1,699 3,700 1,703 2,704 5,705 3,706 1,709 4,711 16,722 1,725 1,731 27,733 18,734 1,735 21,737 29,738 11,739 11,740 2,741 4,746 3,747 4,761 11,766 2,768 1,771 2,778 1,781 8,782 6,783 3,784 8,790 6,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,848 19,849 1,870 7.4,876 2,877 9.833,878 4.883,879 4.139,880 1.401,881 3.414,882 1.511,883 1.023,884 2.616,885 10.092,886 3.466,887 4.155,888 4.805,889 5.457,890 6.004,891 6.365,892 6.833,893 7.258,894 7.502,895 7.806,896 0.8,897 30,898 6.923,900 3.017,901 8.211,902 12.511,904 10.074,905 2.711,906 51.5,910 58.856,911 61.839,912 105.464,914 50.747,917 61.839,918 109.602,919 105.464,920 5.67,922 70.802,923 63.72,924 36.554,925 2.328,926 47.084,927 50.747,928 58.856,929 167.303,930 50.747,933 58.856,935 50.747,937 29.754,938 81.645,939 55.904,941 58.856,942 156.211,943 61.839,946 58.856,947 15.315,948 52.194,949 16.663,950 133.878,951 58.856,952 156.211,953 61.839,955 0.588,956 0.352,957 0.193,958 0.103,959 16,960 7,961 0.069,962 2,963 1,964 1.133,965 3.076,966 145.217,967 0.133,968 15,969 78.711,974 11.564,975 4.298,976 1.9,977 1.053,978 133.878,979 7.482,980 11.995,981 2.725,984 1.35,986 49.56,987 276.906,988 31,990 -0.46,993 21.562,999 28.149,1000 30.824,1001 0.38,1002 0.779,1003 0.907,1004 0.969,1005 0.969,1006 0.969,1007 4.682,1008 1,1009 5.501,1010 2.528,1011 4.111,1012 4.84,1013 2.501,1014 6.351,1015 4.038,1016 5.932,1017 0.706,1018 7.086,1019 2.322,1020 3.761,1021 4.783,1022 2.361,1023 7.353,1024 3.662,1025 7.268,1026 -0.309,1027 8.775,1028 1.751,1029 5.733,1030 7.176,1031 4.154,1032 10.482,1033 5.599,1034 8.646,1035 -0.57,1036 10.525,1037 -0.713,1038 6.217,1039 7.967,1040 4.506,1041 12.342,1042 6.06,1043 10.056,1044 -0.776,1045 12.315,1046 -1.426,1047 7.676,1048 9.826,1049 5.948,1050 14.997,1051 7.489,1052 11.49,1053 -1,1054 14.133,1055 -2,1056 8.531,1057 11.005,1058 6.556,1059 17.201,1060 8.321,1061 12.943,1062 -1,1063 15.971,1064 -2.133,1065 9.794,1066 12.655,1067 7.794,1068 19.705,1069 9.557,1070 3.234,1071 -1.289,1072 17.824,1073 -2.701,1074 10.817,1075 14.017,1076 8.548,1077 22.049,1078 10.555,1079 2.786,1080 11.501,1081 19.69,1082 -3.316,1083 12.008,1084 15.583,1085 9.67,1086 24.507,1087 11.719,1088 2.371,1089 8.612,1090 21.565,1091 4.629,1092 13.106,1093 17.029,1094 10.509,1095 26.907,1096 12.791,1097 1.994,1098 7.464,1099 23.448,1100 3.97,1101 14.273,1102 18.565,1103 11.563,1104 29.351,1105 13.931,1106 1.635,1107 5.677,1108 25.337,1109 3.306,1110 15.405,1111 20.051,1112 12.452,1113 31.775,1114 15.037,1115 1.295,1116 4.214,1117 27.233,1118 2.81,1119 16.566,1120 21.576,1121 13.468,1122 34.216,1123 16.171,1124 1,1125 2.995,1126 29.133,1127 2.521,1128 17.716,1129 23.082,1130 14.386,1131 36.65,1132 17.293,1133 2965,1134 5958,1135 13.929,1136 18.705,1137 32.337,1138 33.465,1139 33.393,1140 32.07,1141 32.044,1142 46.59,1143 5.225,1144 94.129,1145 30.835,1146 5.341,1147 5.78,1148 6.433,1149 5.279,1150 5.234,1151 7.629,1152 4.612,1153 18.715,1154 5.145,1155 8.941,1156 1.54,1157 1.594,1158 1.59,1159 1.527,1160 1.526,1161 2.219,1162 0.249,1163 4.482,1164 1.468,1165 4.118,1166 4.163,1167 4.097,1168 3.983,1169 7.815,1170 4.003,1171 3.911,1172 3.947,1173 3.883,1174 3.739,1175 6.999,1176 3.762,1177 3.478,1178 3.507,1179 3.447,1180 3.08,1181 5.278,1182 3.164,1183 3.277,1184 3.374,1185 3.21,1186 2.95,1187 4.917,1188 3.006,1189 3.013,1190 3.111,1191 2.911,1192 2.755,1193 4.669,1194 2.786,1195 2.798,1196 2.879,1197 2.65,1198 2.605,1199 4.481,1200 2.612,1201 2.601,1202 2.66,1203 2.468,1204 2.325,1205 3.752,1206 2.379,1207 2.326,1208 2.44,1209 2.109,1210 1.979,1211 3.588,1212 1.994,1213 0.222,1214 0.18,1215 0.328,1216 0.2,1217 0.154,1218 4.67,1219 0.22,1220 3.78,1221 0.124,1222 6.887,1223 0.548,1224 4.207,1225 0.15,1226 3.234,1227 4.629,1228 2.612,1229 11.501,1230 3.145,1231 1.95,1232 1.927,1233 2.027,1234 2.091,1235 1.138,1236 2.059,1237 1.767,1238 1.725,1239 1.825,1240 1.98,1241 0.868,1242 1.935,1243 1.306,1244 1.25,1245 1.387,1246 1.709,1247 0.326,1248 1.61,1249 1.139,1250 1.084,1251 1.269,1252 1.538,1253 0.213,1254 1.475,1255 0.928,1256 0.847,1257 1.172,1258 1.217,1259 0.049,1260 1.208,1261 0.795,1262 0.693,1263 1.087,1264 1.124,1266 1.126,1267 0.616,1268 0.537,1269 0.87,1270 0.874,1272 0.89,1273 0.485,1274 0.42,1275 0.762,1276 0.746,1278 0.777,1279 3.761,1281 5.094,1282 2.398,1283 6.629,1284 4.727,1285 8.258,1286 6.862,1287 9.936,1293 5.792,1305 19.085,1306 48.818,1307 100.017,1308 116.382,1309 124.382,1310 124.382,1311 124.382,1312 29.125,1313 6.678,1314 126.3,1315 126.3,1316 17,1317 12.302,1318 4.248,1319 3.459,1320 27.665,1321 50,1322 45,1323 0.282,1324 119.445,1325 191.54,1326 283.206,1327 6007,1329 13.405,1330 0.706,1331 0.504,1332 13.405,1333 9.569,1334 9.165,1335 0.436,1336 0.255,1337 5.243,1338 8.617,1339 5.188,1340 4.299,1341 9.165,1342 5.36,1343 8.418,1344 0.281,1345 0.129,1346 8.418,1347 3.862,1348 7.105,1349 0.173,1350 0.066,1351 7.105,1352 2.717,1353 6.07,1354 0.11,1355 0.034,1356 6.07,1357 1.858,1358 4.81,1359 0.072,1360 0.018,1361 4.81,1362 1.173,1363 0.42,1364 58.992,1365 0.268,1366 18.51,1367 0.838,1368 102,1369 379.697,1370 116.253,1371 367.724,1372 494.3,1373 338,1374 122,1375 374.591,1376 136.589,1377 372.46,1378 538.77,1379 348,1380 4.921}
{0 CHEMBL1241390,1 1.501,2 6.474,3 1.276,4 1.627,5 74.406,6 7.707,7 0.762,8 3.623,9 3.765,10 3.228,11 3.122,12 4.797,13 3.123,14 4.109,15 4.305,16 3.587,17 3.484,18 5.209,19 3.474,20 4.278,21 4.492,22 3.64,23 3.578,24 5.36,25 3.556,26 4.359,27 4.6,28 3.634,29 3.589,30 5.476,31 3.549,32 4.276,33 4.496,34 3.467,35 3.545,36 5.323,37 3.486,38 4.224,39 4.439,40 3.347,41 3.474,42 5.363,43 3.387,44 4.296,45 4.595,46 2.802,47 3.285,48 5.244,49 3.101,50 3.986,51 4.367,52 1.851,53 2.767,54 4.608,55 2.459,56 0.054,57 0.565,58 6.422,59 2.413,60 8.517,61 3.405,62 0.162,63 0.851,64 11.904,65 3.901,66 16.824,67 5.746,68 0.171,69 0.964,70 14.61,71 4.28,72 16.853,73 6.574,74 0.322,75 0.994,76 16.768,77 4.845,78 30.401,79 7.368,80 0.207,81 0.922,82 14.682,83 4.33,84 19.693,85 6.545,86 0.19,87 0.86,88 13.704,89 4.578,90 26.647,91 6.737,92 0.252,93 0.74,94 17.548,95 4.794,96 37.126,97 7.668,98 0.215,99 0.42,100 15.125,101 4.203,102 26.721,103 6.903,104 11,105 30,106 0.277,107 0.684,108 0.798,109 0.821,110 0.821,111 0.821,112 3.013,113 0.868,114 -3.59,115 -3.56,116 -3.4,119 39.4,120 2,127 1,142 2,143 2,145 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 9,177 1,178 1,180 1,183 3,185 1,186 1,187 5,195 1,198 3,199 7,201 3,202 3,204 1,207 3,209 1,211 1,212 3,217 1,220 2,222 1,223 2,224 4,226 1,227 1,229 3,232 2,234 3,237 2,245 2,275 385,276 12.828,277 12.828,278 12.828,279 12.828,280 12.828,281 10.97,282 9.487,283 7.563,284 13.154,285 10.367,286 10.367,287 10.367,288 10.367,289 10.367,290 7.577,291 7.5,292 3.561,293 10.88,294 3.543,295 1.334,296 0.712,297 0.591,298 0.591,299 0.591,300 3.688,304 1,305 1,306 262,307 2.449,310 34.308,311 92.706,314 65.806,318 0.975,319 14.364,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 41,331 123,332 4.757,333 3.372,334 7.038,335 4.297,336 3.334,337 4.729,339 12.08,340 3.211,341 3.984,342 2.716,343 6.145,344 3.603,345 2.637,346 3.548,348 8.799,349 2.544,350 3.783,351 2.52,352 5.753,353 3.407,354 2.451,355 3.196,357 7.571,358 2.339,359 3.249,360 1.848,361 4.82,362 2.734,363 1.788,364 2.601,366 4.82,367 1.688,368 3.02,369 1.751,370 4.537,371 2.665,372 1.728,373 2.144,375 4.46,376 1.616,377 2.807,378 1.329,379 3.881,380 2.268,381 1.328,382 1.951,384 3.005,385 1.246,386 2.5,387 1,388 3.588,389 1.964,390 1,391 1.5,393 2.581,394 0.961,395 2.454,396 1,397 3.399,398 1.952,399 1,400 1.434,402 2.136,403 0.949,404 2.11,405 0.81,406 3.247,407 1.73,408 0.774,409 1.004,411 1.943,412 0.738,413 1.062,414 -0.151,415 2.525,416 0.629,417 -0.286,418 -0.363,420 -0.665,421 -0.261,422 0.829,423 -0.593,424 2.403,425 0.36,426 -0.593,427 -0.813,428 -1.439,429 -0.563,430 0.569,431 -0.809,432 2.25,433 0.061,434 -0.868,435 -1,436 -2,437 -0.804,438 0.5,439 -1,440 1.936,442 -1,443 -1.155,445 -2.346,446 -0.974,447 0.15,448 -1,449 1.67,450 -0.026,451 -1,452 -1.5,454 -2.347,455 -1,457 -1.148,458 1.555,459 -0.259,460 -1.219,461 -1.661,463 -3.332,464 -1.165,465 8.9,466 0.468,467 0.49,468 0.026,469 27.5,470 1.447,471 14.5,472 0.763,473 13,474 0.684,475 12.653,476 0.666,477 19.9,478 0.603,479 17.479,480 0.92,481 5.298,482 0.279,483 3.884,484 0.204,485 0.157,487 0.382,493 0.894,494 1.382,495 0.756,496 1.078,497 1.077,498 0.924,499 0.86,500 1.105,501 0.706,502 0.877,503 0.673,504 0.784,505 1.163,506 1.25,507 0.876,508 0.963,509 0.846,510 0.887,511 0.957,512 0.859,513 0.888,514 0.835,515 0.92,516 0.848,517 1.335,518 1.122,519 1.21,520 1.091,521 1.086,522 1.123,523 0.994,524 1.223,525 1.279,526 1.39,527 1.153,528 1.383,529 1.269,530 0.93,531 1.359,532 1.137,533 1.613,534 1.242,535 0.746,536 0.422,537 0.873,538 0.656,539 0.84,540 0.764,541 3,543 2.222,544 1.792,545 1.424,546 0.716,547 0.3,548 0.142,549 0.041,551 2820,552 7513,553 2.081,554 42.4,556 3,558 3,559 2,561 6,564 1.613,565 1.932,566 2.728,567 0.445,569 1,571 1,573 49.547,574 1.501,575 3.711,576 4.332,577 4.453,578 4.453,579 4.453,580 2.149,581 3.577,582 4.22,583 2.818,584 481.911,585 7.235,586 4623.41,587 1,588 1,591 166.465,592 1.462,593 4.171,594 0.143,596 0.074,597 0.058,598 0.047,599 0.029,600 0.014,601 0.014,602 0.014,604 0.393,605 0.67,606 1,607 0.868,608 79.583,609 0.007,610 -0.172,611 0.056,612 -0.061,613 -0.168,614 -0.005,615 0.134,616 0.002,617 0.192,618 0.102,619 0.149,620 0.148,621 -0.116,622 -0.18,623 0.048,624 -0.012,625 0.008,626 0.036,627 0.164,628 0.172,629 0.078,630 0.092,631 0.143,632 0.074,633 -0.289,634 -0.057,635 -0.291,636 -0.146,637 -0.177,638 -0.207,639 -0.044,640 -0.175,641 -0.374,642 -0.418,643 -0.034,644 -0.446,645 -0.284,646 -0.077,647 -0.327,648 -0.192,649 -0.394,650 -0.255,651 0.059,652 0.203,653 0.282,654 0.347,655 0.051,656 0.351,657 1.226,658 1.983,659 0.789,660 11.252,661 1.004,662 1.141,663 2.359,664 5.565,665 0.669,666 3.091,667 3.434,668 3.761,669 4.094,670 4.344,671 4.431,672 4.466,673 4.477,674 4.331,675 4.19,676 4.163,677 0.644,678 254.33,679 3.091,680 4.635,681 5.509,682 6.415,683 7.319,684 8.237,685 9.151,686 10.073,687 10.992,688 11.915,689 18.2,693 1,697 1,699 4,703 2,704 5,705 4,709 3,710 1,711 16,722 1,731 33,733 16,735 21,737 35,738 13,739 10,746 3,747 4,752 2,758 1,761 10,762 3,778 1,781 14,782 5,783 2,784 6,790 6,794 0.667,803 1,805 1,806 1,811 1,812 2,815 1,840 2,844 2,848 19,849 1,858 1,877 9.833,878 6.583,879 4.167,880 1.962,881 3.1,882 1.467,883 0.996,884 2.822,885 9.736,886 3.401,887 4.073,888 4.774,889 5.467,890 6.046,891 6.416,892 6.836,893 7.237,894 7.412,895 7.635,896 1,897 31,898 6.95,900 2.917,901 7.693,902 13.205,904 10.65,905 2.193,906 41.667,907 0.001,910 141.253,911 75.875,912 101.693,917 75.875,918 141.253,919 101.693,920 17.65,922 51.85,923 104.048,924 37.005,925 2.328,926 105.94,928 141.253,929 177.568,933 70.627,934 70.627,937 50.612,938 59.936,939 67.02,941 141.253,942 101.693,943 75.875,946 141.253,947 12.559,948 65.093,950 99.917,951 141.253,952 101.693,953 75.875,955 0.583,956 0.35,957 0.205,958 0.121,959 16,960 7,961 0.057,962 2,963 1,964 1.133,965 3.035,966 147.921,967 0.133,968 15,969 78.711,974 11.908,975 4.503,976 1.913,977 1.533,978 99.917,979 8.774,980 17.092,984 2.124,985 1.857,986 32.897,987 318.821,988 29,999 33.145,1000 37.651,1001 0.298,1002 0.736,1003 0.859,1004 0.883,1005 0.883,1006 0.883,1007 4.625,1008 1,1009 5.509,1010 2.581,1011 4.111,1012 4.758,1014 6.385,1015 4.021,1016 5.861,1017 0.774,1018 7.106,1019 2.136,1020 3.761,1021 4.62,1023 7.441,1024 3.648,1025 7.188,1026 -0.286,1027 8.812,1028 1.943,1029 5.746,1030 7.079,1032 10.614,1033 5.578,1034 8.563,1035 -0.593,1036 10.583,1037 -0.665,1038 6.256,1039 7.848,1041 12.544,1042 6.065,1043 9.975,1044 -0.868,1045 12.396,1046 -1.439,1047 7.73,1048 9.758,1050 15.246,1051 7.491,1052 11.418,1053 -1,1054 14.238,1055 -2,1056 8.626,1057 10.957,1059 17.515,1060 8.36,1061 12.884,1062 -1,1063 16.101,1064 -2.346,1065 9.91,1066 12.644,1068 20.068,1069 9.603,1070 3.334,1071 -1.219,1072 17.98,1073 -2.347,1074 10.978,1075 14.042,1077 22.472,1078 10.638,1079 2.637,1080 12.08,1081 19.871,1082 -3.332,1083 12.197,1084 15.643,1086 24.979,1087 11.818,1088 2.451,1089 8.799,1090 21.771,1091 4.729,1092 13.339,1093 17.129,1095 27.435,1096 12.924,1097 1.788,1098 7.571,1099 23.68,1100 3.548,1101 14.539,1102 18.698,1104 29.929,1105 14.087,1106 1.728,1107 4.82,1108 25.594,1109 3.196,1110 15.713,1111 20.222,1113 32.405,1114 15.224,1115 1.328,1116 4.46,1117 27.514,1118 2.601,1119 16.91,1120 21.78,1122 34.896,1123 16.384,1124 1,1125 3.005,1126 29.438,1127 2.144,1128 18.099,1129 23.32,1131 37.381,1132 17.536,1133 2816,1134 4710,1135 13.929,1136 22.08,1137 32.471,1138 32.004,1139 33.388,1140 32.095,1141 32.08,1142 44.216,1144 94.79,1145 30.586,1146 5.411,1147 5.372,1148 6.84,1149 5.369,1150 5.334,1151 7.729,1153 19.528,1154 5.155,1155 8.694,1156 1.546,1157 1.524,1158 1.59,1159 1.528,1160 1.528,1161 2.106,1163 4.514,1164 1.456,1165 4.127,1166 4.177,1167 4.11,1168 3.976,1169 5.258,1170 4.003,1171 3.793,1172 3.842,1173 3.734,1174 3.665,1175 4.93,1176 3.677,1177 3.576,1178 3.654,1179 3.445,1180 3.405,1181 4.807,1182 3.398,1183 3.193,1184 3.281,1185 3.099,1186 2.967,1187 4.492,1188 2.994,1189 2.999,1190 3.11,1191 2.878,1192 2.694,1193 4.083,1194 2.73,1195 2.874,1196 3.009,1197 2.642,1198 2.618,1199 3.812,1200 2.619,1201 2.79,1202 2.868,1203 2.581,1204 2.618,1205 3.71,1206 2.57,1207 2.704,1208 2.789,1209 2.499,1210 2.485,1211 3.495,1212 2.498,1213 0.227,1214 0.161,1215 0.335,1216 0.205,1217 0.159,1218 4.757,1219 0.225,1220 3.372,1222 7.038,1223 0.575,1224 4.297,1225 0.153,1226 3.334,1227 4.729,1229 12.08,1230 3.211,1231 1.897,1232 1.867,1233 1.972,1234 2.035,1235 1.149,1236 2.013,1237 1.778,1238 1.723,1239 1.941,1240 1.97,1241 1.044,1242 1.961,1243 1.6,1244 1.534,1245 1.765,1246 1.802,1247 0.791,1248 1.803,1249 1.132,1250 1.067,1251 1.417,1252 1.4,1253 0.469,1254 1.372,1255 0.934,1256 0.804,1257 1.273,1258 1.239,1259 0.292,1260 1.308,1261 0.88,1262 0.784,1263 1.167,1264 1.218,1265 0.05,1266 1.21,1267 0.764,1268 0.682,1269 1.007,1270 1.063,1271 0.011,1272 1.058,1273 0.723,1274 0.624,1275 0.989,1276 0.981,1278 0.996,1279 3.761,1281 5.094,1282 2.398,1283 6.637,1284 4.844,1285 8.279,1286 7.081,1287 9.973,1289 4.107,1293 5.983,1299 0.197,1305 21.236,1306 49.547,1307 122.449,1308 142.955,1309 146.955,1310 146.955,1311 146.955,1312 22.478,1313 6.636,1314 82.51,1315 82.51,1316 17,1317 12.422,1318 4.087,1319 3.17,1320 27.467,1321 47,1322 46,1323 0.305,1324 133.565,1325 211.2,1326 317.658,1327 5376,1329 13.405,1330 0.706,1331 0.567,1332 13.405,1333 10.778,1334 9.182,1335 0.437,1336 0.289,1337 5.977,1338 8.782,1339 5.78,1340 4.858,1341 9.182,1342 6.073,1343 8.355,1344 0.278,1345 0.153,1346 8.355,1347 4.586,1348 7.049,1349 0.168,1350 0.07,1351 7.049,1352 2.942,1353 6.203,1354 0.105,1355 0.035,1356 6.203,1357 2.06,1358 5.143,1359 0.068,1360 0.018,1361 5.143,1362 1.394,1363 0.444,1364 57.732,1365 0.268,1366 18.312,1367 0.952,1368 102,1369 289.538,1370 112.824,1371 287.703,1372 406.85,1373 270,1374 123,1375 319.406,1376 135.129,1377 323.569,1378 474.89,1379 304,1380 5.119}
{0 CHEMBL1241391,1 1.538,2 6.474,3 0.647,4 0.419,5 73.259,6 7.979,7 0.762,8 3.606,9 3.751,10 3.238,11 3.071,12 4.813,13 3.09,14 4.088,15 4.291,16 3.593,17 3.432,18 5.224,19 3.44,20 4.228,21 4.433,22 3.643,23 3.53,24 5.346,25 3.525,26 4.341,27 4.586,28 3.639,29 3.546,30 5.484,31 3.52,32 4.242,33 4.459,34 3.478,35 3.494,36 5.321,37 3.449,38 4.19,39 4.409,40 3.364,41 3.407,42 5.391,43 3.334,44 4.25,45 4.554,46 2.812,47 3.181,48 5.231,49 3.017,50 3.9,51 4.294,52 1.823,53 2.59,54 4.588,55 2.327,56 0.073,57 0.563,58 5.901,59 2.13,60 8.704,61 3.044,62 0.228,63 0.831,64 11.398,65 3.431,66 20.264,67 5.121,68 0.194,69 0.927,70 13.093,71 3.798,72 15.843,73 5.869,74 0.38,75 0.951,76 16.249,77 4.446,78 33.318,79 6.846,80 0.251,81 0.881,82 13.541,83 3.924,84 19.531,85 5.949,86 0.269,87 0.808,88 12.786,89 4.235,90 31.232,91 6.198,92 0.3,93 0.653,94 16.943,95 4.081,96 37.118,97 6.867,98 0.305,99 0.338,100 14.824,101 3.038,102 31.89,103 5.476,104 11,105 30,106 0.285,107 0.674,108 0.756,109 0.768,110 0.779,111 0.779,112 3.013,113 0.846,114 -3.37,115 -3.35,116 -3.21,119 37.5,120 2,127 1,143 2,145 2,146 1,147 1,148 2,161 1,163 1,164 1,165 1,166 1,174 3,175 9,177 1,178 1,180 1,183 2,185 1,186 1,187 3,198 4,199 6,201 3,202 3,204 1,207 2,209 1,211 2,220 2,223 4,224 2,226 2,227 2,229 2,234 2,237 4,275 385,276 12.828,277 12.828,278 12.828,279 12.828,280 12.828,281 10.97,282 9.487,283 7.563,284 13.222,285 10.367,286 10.367,287 10.367,288 10.367,289 10.367,290 7.577,291 7.5,292 3.561,293 10.98,294 3.462,295 1.364,296 0.922,297 0.86,298 0.797,299 0.797,300 3.688,304 1,305 1,306 262,307 2.449,310 34.308,311 92.706,314 65.806,318 0.975,319 15.896,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 41.5,331 123,332 4.757,333 3.372,334 7.038,335 4.296,336 3.334,337 4.729,339 12.08,340 3.21,341 3.984,342 2.716,343 6.145,344 3.599,345 2.637,346 3.548,348 8.799,349 2.532,350 3.783,351 2.52,352 5.753,353 3.404,354 2.451,355 3.196,357 7.571,358 2.334,359 3.249,360 1.848,361 4.82,362 2.717,363 1.788,364 2.601,366 4.82,367 1.661,368 3.02,369 1.751,370 4.537,371 2.657,372 1.728,373 2.144,375 4.46,376 1.599,377 2.807,378 1.329,379 3.881,380 2.251,381 1.328,382 1.951,384 3.005,385 1.223,386 2.5,387 1,388 3.588,389 1.955,390 1,391 1.5,393 2.581,394 0.952,395 2.454,396 1,397 3.399,398 1.917,399 1,400 1.434,402 2.136,403 0.916,404 2.11,405 0.81,406 3.247,407 1.726,408 0.774,409 1.004,411 1.943,412 0.735,413 1.062,414 -0.151,415 2.525,416 0.628,417 -0.286,418 -0.363,420 -0.665,421 -0.261,422 0.829,423 -0.593,424 2.403,425 0.338,426 -0.593,427 -0.813,428 -1.439,429 -0.55,430 0.569,431 -0.809,432 2.25,433 0.053,434 -0.868,435 -1,436 -2,437 -0.798,438 0.5,439 -1,440 1.936,442 -1,443 -1.155,445 -2.346,446 -0.946,447 0.15,448 -1,449 1.67,450 -0.049,451 -1,452 -1.5,454 -2.347,455 -1,457 -1.148,458 1.555,459 -0.269,460 -1.219,461 -1.661,463 -3.332,464 -1.155,465 8.8,466 0.463,467 0.49,468 0.026,469 28,470 1.474,471 14.5,472 0.763,473 13.5,474 0.711,475 12.406,476 0.653,477 20,478 0.625,479 17.726,480 0.933,481 5.375,482 0.283,483 3.806,484 0.2,485 0.159,487 0.386,493 0.915,494 1.516,495 0.724,496 1.141,497 1.041,498 0.934,499 0.893,500 1.02,501 0.688,502 0.787,503 0.703,504 0.712,505 1.094,506 1.358,507 0.86,508 1.053,509 0.805,510 0.934,511 0.907,512 0.804,513 0.867,514 0.801,515 0.891,516 0.822,517 1.209,518 1.163,519 1.193,520 1.163,521 1.042,522 1.173,523 0.804,524 1.108,525 1.234,526 1.409,527 1.056,528 1.406,529 1.254,530 1.001,531 1.329,532 1.154,533 1.513,534 1.24,535 1.164,536 0.199,537 0.963,538 0.328,539 1.133,540 0.561,541 3,543 2.222,544 1.792,545 1.424,546 0.716,547 0.3,548 0.142,549 0.041,551 2820,552 8067,553 2.081,554 40.6,556 1,558 4,559 2,561 6,564 1.613,565 1.932,566 2.728,567 0.497,569 1,571 1,573 49.223,574 1.538,575 3.636,576 4.078,577 4.14,578 4.203,579 4.203,580 2.149,581 3.577,582 4.22,583 2.818,584 481.911,585 7.235,586 4623.41,588 1,591 160,592 1.462,593 4.171,594 0.143,596 0.074,597 0.058,598 0.047,599 0.029,600 0.014,601 0.014,602 0.014,604 0.393,605 0.67,606 1,607 0.868,608 79.583,609 -0.039,610 -0.288,611 0.057,612 -0.117,613 -0.157,614 -0.028,615 0.102,616 0.089,617 0.202,618 0.186,619 0.139,620 0.209,621 -0.133,622 -0.276,623 0.029,624 -0.077,625 0.001,626 -0.005,627 0.155,628 0.204,629 0.097,630 0.134,631 0.14,632 0.109,633 -0.228,634 -0.099,635 -0.294,636 -0.203,637 -0.166,638 -0.253,639 0.136,640 -0.059,641 -0.334,642 -0.434,643 0.061,644 -0.469,645 -0.261,646 -0.191,647 -0.263,648 -0.216,649 -0.337,650 -0.237,651 -0.136,652 0.379,653 0.287,654 0.605,655 -0.075,656 0.541,657 1.254,658 1.963,659 0.789,660 11.252,661 1.011,662 1.148,663 2.14,664 4.58,665 0.666,666 3.091,667 3.434,668 3.761,669 4.094,670 4.344,671 4.431,672 4.466,673 4.477,674 4.331,675 4.19,676 4.163,677 0.648,678 255.32,679 3.091,680 4.635,681 5.509,682 6.415,683 7.319,684 8.237,685 9.151,686 10.073,687 10.992,688 11.915,689 21.9,693 1,697 1,699 5,703 2,704 4,705 5,709 3,710 1,711 16,722 1,731 32,733 16,735 21,737 34,738 12,739 9,746 3,747 4,752 2,758 1,761 9,762 3,778 1,781 13,782 6,783 2,784 7,790 7,794 0.667,803 1,806 2,811 1,812 2,815 1,840 2,844 2,848 19,849 1,858 1,877 9.833,878 6.45,879 4.167,880 1.873,881 3.1,882 1.467,883 0.991,884 2.785,885 9.736,886 3.401,887 4.073,888 4.774,889 5.467,890 6.046,891 6.416,892 6.836,893 7.237,894 7.412,895 7.635,896 1,897 31,898 6.936,900 2.908,901 7.746,902 13.076,904 10.467,905 2.246,906 42.667,907 0.001,910 129.482,911 65.541,912 118.479,917 65.541,918 129.482,919 118.479,920 17.65,922 32.897,923 132.605,924 45.624,925 2.328,926 82.398,928 129.482,929 184.02,933 58.856,934 70.627,937 59.231,938 40.984,939 83.805,941 129.482,942 118.479,943 65.541,946 129.482,947 12.559,948 54.759,950 116.702,951 129.482,952 118.479,953 65.541,955 0.583,956 0.35,957 0.205,958 0.121,959 16,960 7,961 0.059,962 2,963 1,964 1.133,965 3.035,966 147.921,967 0.133,968 15,969 74.711,974 11.846,975 4.466,976 1.893,977 1.465,978 116.702,979 6.326,980 20.91,984 1.923,985 1.829,986 32.897,987 313.502,988 29,999 32.363,1000 36.734,1001 0.308,1002 0.727,1003 0.816,1004 0.828,1005 0.841,1006 0.841,1007 4.625,1008 1,1009 5.509,1010 2.581,1011 4.111,1012 4.758,1014 6.385,1015 4.007,1016 5.861,1017 0.774,1018 7.106,1019 2.136,1020 3.761,1021 4.62,1023 7.441,1024 3.648,1025 7.188,1026 -0.286,1027 8.812,1028 1.943,1029 5.746,1030 7.079,1032 10.614,1033 5.56,1034 8.563,1035 -0.593,1036 10.583,1037 -0.665,1038 6.256,1039 7.848,1041 12.544,1042 6.063,1043 9.975,1044 -0.868,1045 12.396,1046 -1.439,1047 7.73,1048 9.758,1050 15.246,1051 7.476,1052 11.418,1053 -1,1054 14.238,1055 -2,1056 8.626,1057 10.957,1059 17.515,1060 8.355,1061 12.884,1062 -1,1063 16.101,1064 -2.346,1065 9.91,1066 12.644,1068 20.068,1069 9.59,1070 3.334,1071 -1.219,1072 17.98,1073 -2.347,1074 10.978,1075 14.042,1077 22.472,1078 10.631,1079 2.637,1080 12.08,1081 19.871,1082 -3.332,1083 12.197,1084 15.643,1086 24.979,1087 11.807,1088 2.451,1089 8.799,1090 21.771,1091 4.729,1092 13.339,1093 17.129,1095 27.435,1096 12.917,1097 1.788,1098 7.571,1099 23.68,1100 3.548,1101 14.539,1102 18.698,1104 29.929,1105 14.078,1106 1.728,1107 4.82,1108 25.594,1109 3.196,1110 15.713,1111 20.222,1113 32.405,1114 15.217,1115 1.328,1116 4.46,1117 27.514,1118 2.601,1119 16.91,1120 21.78,1122 34.896,1123 16.375,1124 1,1125 3.005,1126 29.438,1127 2.144,1128 18.099,1129 23.32,1131 37.381,1132 17.527,1133 2816,1134 4882,1135 13.929,1136 21.324,1137 32.471,1138 32.004,1139 33.388,1140 32.072,1141 32.08,1142 44.216,1144 94.79,1145 30.324,1146 5.411,1147 5.372,1148 6.84,1149 5.369,1150 5.334,1151 7.729,1153 19.528,1154 5.115,1155 8.694,1156 1.546,1157 1.524,1158 1.59,1159 1.527,1160 1.528,1161 2.106,1163 4.514,1164 1.444,1165 4.125,1166 4.175,1167 4.109,1168 3.965,1169 5.261,1170 3.995,1171 3.758,1172 3.819,1173 3.711,1174 3.58,1175 5.013,1176 3.605,1177 3.575,1178 3.654,1179 3.445,1180 3.402,1181 4.836,1182 3.397,1183 3.183,1184 3.275,1185 3.091,1186 2.924,1187 4.497,1188 2.962,1189 2.996,1190 3.107,1191 2.876,1192 2.682,1193 4.084,1194 2.722,1195 2.874,1196 3.009,1197 2.589,1198 2.618,1199 3.962,1200 2.57,1201 2.713,1202 2.793,1203 2.56,1204 2.522,1205 3.727,1206 2.529,1207 2.679,1208 2.776,1209 2.499,1210 2.423,1211 3.514,1212 2.442,1213 0.227,1214 0.161,1215 0.335,1216 0.205,1217 0.159,1218 4.757,1219 0.225,1220 3.372,1222 7.038,1223 0.575,1224 4.296,1225 0.153,1226 3.334,1227 4.729,1229 12.08,1230 3.21,1231 1.872,1232 1.838,1233 1.953,1234 2.033,1235 1.148,1236 2.006,1237 1.747,1238 1.686,1239 1.899,1240 1.959,1241 0.992,1242 1.94,1243 1.577,1244 1.51,1245 1.729,1246 1.795,1247 0.695,1248 1.789,1249 1.093,1250 1.017,1251 1.417,1252 1.393,1253 0.469,1254 1.361,1255 0.934,1256 0.804,1257 1.237,1258 1.239,1259 0.163,1260 1.308,1261 0.856,1262 0.761,1263 1.123,1264 1.209,1265 0.033,1266 1.193,1267 0.758,1268 0.657,1269 0.99,1270 1.056,1272 1.047,1273 0.618,1274 0.524,1275 0.921,1276 0.912,1278 0.918,1279 3.761,1281 5.094,1282 2.398,1283 6.637,1284 4.844,1285 8.279,1286 7.081,1287 9.973,1289 4.075,1293 5.963,1299 0.176,1305 20.73,1306 49.223,1307 116.349,1308 130.49,1309 132.49,1310 134.49,1311 134.49,1312 22.481,1313 6.636,1314 95.4,1315 95.4,1316 17,1317 12.422,1318 4.087,1319 3.17,1320 27.467,1321 47,1322 46,1323 0.305,1324 130.767,1325 204.9,1326 310.831,1327 5376,1329 13.405,1330 0.706,1331 0.56,1332 13.405,1333 10.647,1334 9.182,1335 0.437,1336 0.282,1337 5.809,1338 8.712,1339 5.624,1340 4.728,1341 9.182,1342 5.923,1343 8.355,1344 0.278,1345 0.149,1346 8.355,1347 4.472,1348 7.049,1349 0.168,1350 0.068,1351 7.049,1352 2.841,1353 6.203,1354 0.105,1355 0.034,1356 6.203,1357 1.979,1358 5.143,1359 0.068,1360 0.017,1361 5.143,1362 1.328,1363 0.444,1364 58.232,1365 0.268,1366 18.312,1367 0.952,1368 102,1369 309.183,1370 114.267,1371 305.209,1372 428.33,1373 286,1374 123,1375 333.518,1376 136.627,1377 337.857,1378 494.25,1379 316,1380 4.301}
{0 CHEMBL1241439,1 1.716,2 7.25,3 1.581,4 2.499,5 75.545,6 8.222,7 0.682,8 3.642,9 3.762,10 3.289,11 3.11,12 4.887,13 3.139,14 4.132,15 4.301,16 3.663,17 3.474,18 5.306,19 3.499,20 4.275,21 4.461,22 3.698,23 3.535,24 5.478,25 3.548,26 4.391,27 4.603,28 3.727,29 3.553,30 5.644,31 3.556,32 4.254,33 4.448,34 3.529,35 3.508,36 5.395,37 3.475,38 4.222,39 4.402,40 3.443,41 3.425,42 5.451,43 3.39,44 4.295,45 4.552,46 3,47 3.275,48 5.376,49 3.16,50 3.961,51 4.277,52 2.502,53 2.845,54 5.096,55 2.639,56 0.107,57 0.539,58 5.719,59 2.51,60 8.553,61 3.102,62 0.272,63 0.818,64 11.401,65 4.06,66 26.001,67 5.293,68 0.33,69 0.91,70 13.492,71 4.191,72 21.07,73 5.802,74 0.573,75 0.95,76 16.964,77 4.838,78 51.536,79 6.728,80 0.386,81 0.857,82 13.273,83 4.257,84 29.999,85 5.895,86 0.311,87 0.796,88 12.733,89 4.427,90 28.341,91 5.858,92 0.522,93 0.703,94 17.548,95 4.67,96 46.101,97 6.585,98 0.342,99 0.437,100 14.217,101 4.26,102 49.059,103 6.739,104 21,105 32,106 0.315,107 0.739,108 0.818,109 0.818,110 0.818,111 0.818,112 3.06,113 0.838,114 -3.37,115 -3.35,116 -3.21,119 39.4,120 2,127 1,142 1,143 2,146 1,147 1,148 1,151 1,152 1,155 1,161 1,163 1,164 1,165 1,166 1,172 1,174 2,175 9,177 1,178 1,180 1,183 1,185 1,186 2,187 5,195 1,198 4,199 4,201 3,202 3,207 3,211 2,212 3,214 1,215 1,217 1,222 1,223 1,224 7,229 3,232 2,234 3,236 1,245 2,249 2,252 1,253 1,263 2,275 464,276 13.439,277 13.439,278 13.439,279 13.439,280 13.439,281 11.685,282 10.132,283 7.702,284 13.682,285 10.777,286 10.777,287 10.777,288 10.777,289 10.777,290 7.971,291 7.5,292 3.537,293 11.157,294 3.328,295 1.02,296 0.591,297 0.591,298 0.591,299 0.591,300 3.732,303 1,304 1,305 1,306 307,307 2.739,310 82.849,311 47.31,314 72.016,318 1.075,319 22.586,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 145,332 4.76,333 3.377,334 7.039,335 4.302,336 3.338,337 4.732,339 12.087,340 3.221,341 4.142,342 3.012,343 6.163,344 3.737,345 2.752,346 3.783,348 8.929,349 2.712,350 3.798,351 2.698,352 5.807,353 3.457,354 2.501,355 3.202,357 7.8,358 2.388,359 3.523,360 2.514,361 5.244,362 3.133,363 2.153,364 2.874,366 6.427,367 2.106,368 3.024,369 1.926,370 4.818,371 2.682,372 1.741,373 2.168,375 4.817,376 1.634,377 2.934,378 1.8,379 4.352,380 2.412,381 1.456,382 2.092,384 3.838,385 1.386,386 2.547,387 1.364,388 3.851,389 2.022,390 1.061,391 1.537,393 2.732,394 1.014,395 2.246,396 1.007,397 3.482,398 1.832,399 0.847,400 1.122,402 2.06,403 0.831,404 2.09,405 0.831,406 3.272,407 1.624,408 0.643,409 0.92,411 1.62,412 0.63,413 2.051,414 0.652,415 2.686,416 1.416,417 0.308,418 0.521,420 0.441,421 0.339,422 1.059,423 -0.159,424 2.444,425 0.619,426 -0.294,427 -0.376,428 -0.684,429 -0.268,430 0.687,431 -0.718,432 2.351,433 0.204,434 -0.75,435 -1,436 -2,437 -0.709,438 0.324,439 -0.861,440 2.247,442 -1,443 -1.045,445 -2.14,446 -0.958,447 0.152,448 -1,449 1.919,450 -0.04,451 -1,452 -1.225,454 -2.72,455 -1,457 -1.052,458 1.67,459 -0.223,460 -1.246,461 -1.712,463 -3.294,464 -1.254,465 9.167,466 0.458,467 0.559,468 0.028,469 27.75,470 1.388,471 14,472 0.7,473 13.75,474 0.688,475 13.725,476 0.686,477 21.433,478 0.649,479 18.945,480 0.947,481 5.495,482 0.275,483 4.118,484 0.206,485 0.189,487 0.425,493 0.81,494 1.354,495 0.694,496 1.115,497 0.711,498 0.91,499 0.889,500 1.091,501 0.661,502 0.878,503 0.657,504 0.744,505 0.953,506 1.273,507 0.866,508 1.022,509 0.628,510 0.923,511 0.897,512 0.851,513 0.858,514 0.794,515 0.903,516 0.806,517 0.845,518 1.041,519 1.136,520 1.072,521 0.576,522 1.13,523 1.089,524 1.402,525 1.216,526 1.411,527 0.78,528 1.359,529 1.353,530 0.758,531 1.411,532 0.952,533 1.184,534 1.153,535 0.329,536 0.683,537 0.807,538 0.998,539 0.671,540 1.024,541 4,543 2.444,544 1.951,545 1.643,546 0.625,547 0.505,548 0.263,549 0.082,550 0.016,551 3230,552 10348,553 2.048,554 39.4,556 2,557 1,558 2,559 2,561 6,564 1.626,565 1.875,566 2.845,567 0.459,569 1,571 1,573 56.644,574 1.716,575 4.025,576 4.453,577 4.453,578 4.453,579 4.453,580 2.261,581 4.022,582 4.291,583 2.955,584 561.4,585 7.374,586 5545.26,587 1,588 1,590 1,591 166.465,592 1.522,593 4.231,594 0.182,596 0.076,597 0.061,598 0.051,599 0.024,600 0.022,601 0.02,602 0.012,603 0.005,604 0.454,605 0.67,606 1,607 1.013,608 85.971,609 -0.058,610 -0.145,611 0.047,612 -0.083,613 -0.093,614 -0.008,615 -0.013,616 0.01,617 0.2,618 0.114,619 0.017,620 0.186,621 -0.076,622 -0.185,623 0.019,624 -0.077,625 0.02,626 -0.013,627 0.137,628 0.168,629 0.112,630 0.124,631 0.04,632 0.113,633 -0.023,634 0.046,635 -0.258,636 -0.121,637 -0.026,638 -0.211,639 -0.147,640 -0.377,641 -0.324,642 -0.427,643 -0.025,644 -0.422,645 -0.272,646 0.105,647 -0.347,648 -0.014,649 -0.237,650 -0.162,651 0.441,652 0.022,653 0.353,654 0.028,655 0.43,656 0.143,657 1.332,658 3.76,659 0.7,660 13.02,661 1.021,662 1.139,663 2.136,664 4.562,665 0.666,666 3.135,667 3.497,668 3.829,669 4.159,670 4.369,671 4.522,672 4.575,673 4.654,674 4.522,675 4.317,676 4.446,677 0.656,678 271.31,679 3.135,680 4.691,681 5.572,682 6.485,683 7.393,684 8.315,685 9.233,686 10.159,687 11.081,688 12.007,689 15.2,693 1,697 1,699 3,703 2,704 3,705 3,707 1,709 4,710 1,711 15,712 1,722 1,731 33,733 16,735 22,737 35,738 13,739 9,742 1,746 3,747 4,752 2,758 1,761 10,762 3,766 1,771 1,773 1,777 1,778 1,780 1,781 13,782 6,783 2,784 7,790 5,794 0.667,795 2,803 1,806 1,811 2,812 1,815 1,840 2,844 2,848 20,849 1,858 1,870 6.1,873 1,875 1,877 10.667,878 6.633,879 4.417,880 1.926,881 3.02,882 1.447,883 0.984,884 3.029,885 9.772,886 3.45,887 4.119,888 4.832,889 5.52,890 6.028,891 6.495,892 6.907,893 7.345,894 7.522,895 7.696,896 0.8,897 32,898 7.318,900 3.121,901 7.942,902 13.608,904 10.989,905 2.442,906 48.833,910 129.482,911 76.916,912 84.908,914 34.652,917 76.916,918 164.134,919 84.908,920 17.65,922 54.113,923 112.061,924 28.418,925 19.548,926 94.169,928 129.482,929 161.824,930 34.652,933 58.856,934 105.279,937 32.518,938 67.648,939 61.658,941 129.482,942 119.56,943 76.916,946 129.482,947 18.007,948 60.685,950 117.784,951 129.482,952 119.56,953 76.916,955 0.587,956 0.358,957 0.203,958 0.114,959 17,960 8,961 0.086,962 3,963 1,964 1.143,965 3.104,966 158.829,967 0.143,968 14,969 84.439,974 12.82,975 4.726,976 2.018,977 1.277,978 117.784,979 4.398,980 12.722,982 5.38,984 1.793,985 1.756,986 32.897,987 325.958,988 30.5,993 10.76,995 0.717,999 33.698,1000 37.571,1001 0.34,1002 0.798,1003 0.883,1004 0.883,1005 0.883,1006 0.883,1007 4.689,1008 0.847,1009 5.587,1010 2.732,1011 4.174,1012 4.804,1014 6.472,1015 4.11,1016 5.934,1017 0.643,1018 7.194,1019 2.06,1020 3.892,1021 4.745,1023 7.532,1024 3.793,1025 7.269,1026 0.308,1027 8.902,1028 1.62,1029 5.832,1030 7.139,1032 10.684,1033 5.703,1034 8.65,1035 -0.294,1036 10.67,1037 0.441,1038 6.382,1039 7.973,1041 12.595,1042 6.222,1043 10.067,1044 -0.75,1045 12.477,1046 -0.684,1047 7.817,1048 9.82,1050 15.287,1051 7.624,1052 11.512,1053 -1,1054 14.311,1055 -2,1056 8.728,1057 11.054,1059 17.544,1060 8.501,1061 12.978,1062 -1,1063 16.165,1064 -2.14,1065 9.99,1066 12.702,1068 20.093,1069 9.729,1070 3.338,1071 -1.246,1072 18.036,1073 -2.72,1074 11.06,1075 14.115,1077 22.491,1078 10.763,1079 2.752,1080 12.087,1081 19.919,1082 -3.294,1083 12.266,1084 15.692,1086 24.996,1087 11.934,1088 2.501,1089 8.929,1090 21.813,1091 4.732,1092 13.406,1093 17.183,1095 27.449,1096 13.036,1097 2.153,1098 7.8,1099 23.715,1100 3.783,1101 14.598,1102 18.738,1104 29.942,1105 14.192,1106 1.741,1107 6.427,1108 25.625,1109 3.202,1110 15.769,1111 20.263,1113 32.417,1114 15.325,1115 1.456,1116 4.817,1117 27.541,1118 2.874,1119 16.961,1120 21.813,1122 34.908,1123 16.48,1124 1.061,1125 3.838,1126 29.462,1127 2.168,1128 18.148,1129 23.352,1131 37.393,1132 17.628,1133 3260,1134 5950,1135 14.334,1136 21.983,1137 34.502,1138 35.453,1139 35.695,1140 33.779,1141 33.597,1142 45.905,1144 101.5,1145 32.521,1146 5.449,1147 5.377,1148 6.595,1149 5.375,1150 5.338,1151 7.732,1153 19.558,1154 5.202,1155 10.661,1156 1.568,1157 1.611,1158 1.622,1159 1.535,1160 1.527,1161 2.087,1163 4.614,1164 1.478,1165 4.135,1166 4.179,1167 4.12,1168 3.972,1169 7.452,1170 4.004,1171 3.846,1172 3.858,1173 3.807,1174 3.685,1175 5.269,1176 3.711,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 5.038,1182 3.399,1183 3.225,1184 3.292,1185 3.15,1186 2.98,1187 4.821,1188 3.018,1189 3.052,1190 3.126,1191 2.95,1192 2.713,1193 4.482,1194 2.766,1195 2.964,1196 3.024,1197 2.852,1198 2.653,1199 4.063,1200 2.693,1201 2.874,1202 3.009,1203 2.499,1204 2.618,1205 3.685,1206 2.57,1207 2.496,1208 2.579,1209 2.335,1210 2.278,1211 3.559,1212 2.281,1213 0.216,1214 0.153,1215 0.32,1216 0.196,1217 0.152,1218 4.76,1219 0.215,1220 3.377,1222 7.039,1223 0.549,1224 4.302,1225 0.146,1226 3.338,1227 4.732,1229 12.087,1230 3.221,1231 1.842,1232 1.806,1233 1.95,1234 2.026,1235 1.147,1236 1.998,1237 1.673,1238 1.617,1239 1.829,1240 1.873,1241 0.947,1242 1.865,1243 1.554,1244 1.526,1245 1.679,1246 1.706,1247 0.725,1248 1.695,1249 1.326,1250 1.299,1251 1.43,1252 1.594,1253 0.469,1254 1.55,1255 0.947,1256 0.861,1257 1.417,1258 1.327,1259 0.376,1260 1.308,1261 0.934,1262 0.804,1263 1.197,1264 1.239,1265 0.048,1266 1.298,1267 0.772,1268 0.708,1269 0.992,1270 1.132,1271 0.002,1272 1.097,1273 0.71,1274 0.657,1275 0.981,1276 1.048,1278 1.023,1279 3.807,1281 5.153,1282 3.045,1283 6.693,1284 5.416,1285 8.327,1286 7.554,1287 10.014,1289 3.987,1293 5.932,1299 0.112,1305 21.644,1306 56.644,1307 132.814,1308 146.955,1309 146.955,1310 146.955,1311 146.955,1312 29.819,1313 6.752,1314 99.83,1315 99.83,1316 16,1317 12.512,1318 4.087,1319 3.248,1320 29.67,1321 52,1322 62,1323 0.293,1324 134.763,1325 217.78,1326 320.581,1327 6148,1329 14.276,1330 0.714,1331 0.553,1332 14.276,1333 11.069,1334 9.613,1335 0.437,1336 0.279,1337 6.018,1338 9.081,1339 5.838,1340 4.885,1341 9.613,1342 6.143,1343 8.804,1344 0.275,1345 0.147,1346 8.804,1347 4.707,1348 7.558,1349 0.168,1350 0.067,1351 7.558,1352 2.996,1353 6.514,1354 0.103,1355 0.033,1356 6.514,1357 2.065,1358 5.102,1359 0.065,1360 0.017,1361 5.102,1362 1.322,1363 0.432,1364 61.438,1365 0.264,1366 19.246,1367 0.896,1368 108,1369 363.364,1370 122.418,1371 346.984,1372 477.31,1373 324,1374 131,1375 362.384,1376 147.001,1377 363.362,1378 533.83,1379 340,1380 5.796}
{0 CHEMBL1241440,1 1.449,2 7.8,3 2.562,4 6.564,5 79.464,6 7.581,7 0.696,8 3.69,9 3.826,10 3.29,11 3.26,12 4.791,13 3.244,14 4.214,15 4.385,16 3.662,17 3.698,18 5.237,19 3.651,20 4.469,21 4.68,22 3.696,23 3.827,24 5.394,25 3.744,26 4.539,27 4.776,28 3.605,29 3.781,30 5.492,31 3.671,32 4.512,33 4.794,34 3.342,35 3.627,36 5.342,37 3.496,38 4.288,39 4.571,40 3.217,41 3.403,42 5.199,43 3.299,44 4.038,45 4.312,46 3.04,47 3.189,48 5.001,49 3.094,50 3.733,51 4.001,52 2.713,53 2.88,54 4.735,55 2.778,56 0.057,57 0.585,58 7.007,59 2.855,60 8.582,61 3.867,62 0.125,63 0.941,64 12.752,65 5.293,66 14.955,67 7.278,68 0.106,69 1.128,70 17.769,71 6.964,72 16.067,73 9.922,74 0.241,75 1.172,76 19.975,77 7.292,78 30.614,79 10.511,80 0.234,81 1.06,82 21.185,83 6.47,84 28.2,85 9.797,86 0.199,87 0.856,88 17.014,89 4.886,90 25.747,91 7.504,92 0.131,93 0.673,94 12.985,95 3.916,96 19.209,97 5.967,98 0.087,99 0.493,100 9.403,101 2.882,102 14.808,103 4.38,104 2,105 33,106 0.262,107 0.67,108 0.794,109 0.846,110 0.856,111 0.877,112 3.06,113 0.892,114 -4.61,115 -4.53,116 -4.27,119 42.9,121 3,122 1,142 4,143 3,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 11,174 1,175 4,177 1,178 2,180 2,183 15,185 1,186 1,187 2,192 1,195 14,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 8,209 1,212 6,217 4,220 4,222 2,224 6,229 4,232 2,234 2,237 5,242 4,245 1,247 2,250 4,255 3,260 2,263 2,268 1,273 1,275 428,276 13.93,277 13.93,278 13.93,279 13.93,280 13.93,281 12.002,282 12.153,283 8.154,284 14.153,285 11.37,286 11.37,287 11.37,288 11.37,289 11.37,290 8.506,291 10.478,292 3.853,293 11.715,294 3.68,295 1.429,296 0.743,297 0.457,298 0.4,299 0.286,300 3.763,303 1,304 1,305 1,306 352,307 1.871,310 33.306,311 125.947,314 64.465,315 70.226,318 1.14,319 13.616,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 42.5,331 156,332 4.649,333 3.379,334 6.888,335 4.213,336 3.238,337 4.596,339 11.505,340 3.157,341 4.223,342 3.074,343 6.196,344 3.883,345 2.889,346 3.815,348 9.246,349 2.869,350 3.647,351 2.561,352 5.77,353 3.355,354 2.382,355 2.954,357 7.722,358 2.317,359 3.418,360 2.065,361 5.034,362 2.919,363 1.993,364 2.802,366 5.677,367 1.842,368 2.983,369 1.901,370 4.512,371 2.618,372 1.618,373 2.167,375 4.471,376 1.618,377 2.924,378 1.601,379 4.355,380 2.54,381 1.579,382 2.063,384 4.05,385 1.518,386 2.796,387 1.407,388 3.819,389 2.346,390 1.369,391 1.909,393 2.998,394 1.333,395 2.486,396 1.069,397 3.606,398 2.009,399 1.06,400 1.48,402 2.657,403 1.004,404 2.152,405 0.818,406 3.316,407 1.741,408 0.769,409 1.032,411 1.836,412 0.745,413 1.861,414 0.698,415 3.158,416 1.599,417 0.618,418 0.753,420 1.486,421 0.606,422 1.047,423 -0.071,424 2.596,425 0.656,426 -0.289,427 -0.355,428 -0.678,429 -0.268,430 0.874,431 -0.28,432 2.366,433 0.529,434 -0.425,435 -0.534,436 -1.04,437 -0.411,438 0.689,439 -0.453,440 2.199,441 0.382,442 -0.618,443 -0.729,445 -1.597,446 -0.618,447 0.562,448 -0.816,449 2,450 0.089,451 -0.876,452 -1.191,454 -2.312,455 -0.839,456 0.232,457 -1.075,458 2,459 -0.108,460 -1.098,461 -1.472,463 -2.959,464 -1.082,465 9.5,466 0.475,467 0.432,468 0.022,469 27.75,470 1.388,471 14.5,472 0.725,473 13.25,474 0.663,475 14.292,476 0.715,477 20.5,478 0.586,479 16.399,480 0.82,481 5.187,482 0.259,483 4.64,484 0.232,485 0.042,487 0.368,493 0.908,494 1.068,495 0.774,496 0.891,497 0.978,498 0.828,499 0.628,500 0.99,501 0.826,502 1.003,503 0.603,504 0.953,505 0.717,506 1.16,507 0.927,508 1.149,509 0.716,510 1.081,511 0.71,512 1.046,513 1.079,514 1.211,515 0.807,516 1.199,517 1.277,518 0.928,519 1.131,520 0.952,521 1.157,522 1.009,523 1.372,524 0.904,525 1.027,526 0.813,527 1.377,528 0.862,529 1.217,530 0.998,531 0.955,532 0.873,533 1.152,534 0.877,535 1.197,536 1.122,537 1.031,538 1.016,539 1.058,540 1.004,541 3,543 2.444,544 1.25,545 1.259,546 0.379,547 0.303,548 0.227,549 0.062,550 0.038,551 3878,552 9367,553 2.226,554 42.9,555 6,556 4,558 1,559 3,560 1,564 1.619,565 2.143,566 2.979,567 1.103,569 1,571 1,573 50.709,574 1.449,575 3.7,576 4.386,577 4.672,578 4.729,579 4.844,580 2.423,581 4.122,582 4.298,583 3.053,584 580.082,585 7.349,586 5687.76,587 1,588 1,590 1,591 179.525,592 1.188,593 4.278,594 0.13,596 0.074,597 0.038,598 0.045,599 0.018,600 0.016,601 0.014,602 0.006,603 0.008,604 0.349,605 0.5,606 1,607 0.432,608 86.649,610 0.099,611 0.047,612 0.097,613 -0.038,614 0.082,615 0.19,616 0.094,617 0.033,618 0.005,619 0.148,620 -0.001,621 0.055,622 -0.17,623 -0.016,624 -0.135,625 0.044,626 -0.094,627 0.217,628 -0.07,629 -0.127,630 -0.235,631 0.109,632 -0.23,633 -0.218,634 -0.002,635 -0.11,636 -0.002,637 -0.199,638 -0.034,639 -0.214,640 0.036,641 0.01,642 0.117,643 -0.184,644 0.098,645 -0.128,646 -0.06,647 0.067,648 0.073,649 -0.03,650 0.093,651 -0.122,652 -0.183,653 -0.018,654 -0.071,655 0.056,656 -0.037,657 1.155,658 1.992,659 0.95,660 11.94,661 0.998,662 1.131,663 3.383,664 11.442,665 0.681,666 3.178,667 3.526,668 3.871,669 4.19,670 4.419,671 4.477,672 4.625,673 4.796,674 4.852,675 4.804,676 4.646,677 0.65,678 265.35,679 3.178,680 4.727,681 5.609,682 6.509,683 7.405,684 8.31,685 9.212,686 10.119,687 11.023,688 11.931,689 14.3,693 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 1,731 35,733 16,734 1,735 23,737 38,738 15,739 11,740 2,741 4,746 4,747 6,755 3,756 1,758 3,761 11,762 4,763 1,777 1,778 1,781 15,782 4,783 3,784 5,790 5,794 0.5,803 1,806 1,811 1,812 3,815 1,816 1,840 2,848 20,849 1,854 3,858 1,877 9.333,878 6.183,879 4.306,880 2.146,881 3.227,882 1.446,883 1.061,884 2.623,885 10.454,886 3.466,887 4.123,888 4.784,889 5.411,890 5.898,891 6.146,892 6.527,893 6.964,894 7.145,895 7.427,896 1,897 33,898 7.364,900 3.214,901 7.567,902 14.363,904 12.413,905 2.067,906 41.333,907 0.001,910 141.253,911 69.871,912 99.794,917 69.871,918 141.253,919 99.794,921 7.604,922 70.802,923 63.72,924 36.982,925 2.328,926 129.482,928 141.253,929 169.666,933 141.253,937 37.357,938 82.074,939 50.234,941 141.253,942 99.794,943 69.871,946 141.253,947 23.348,948 46.524,949 16.663,950 83.131,951 141.253,952 99.794,953 69.871,955 0.586,956 0.358,957 0.206,958 0.11,959 19,960 7,961 0.026,962 1,963 2,964 1.211,965 3.284,966 163.035,967 0.211,968 19,969 86.439,974 11.712,975 4.48,976 1.871,977 1.614,978 83.131,979 10.091,980 12.724,981 2.969,984 4.383,986 49.56,987 310.919,988 31,999 34.927,1000 39.568,1001 0.282,1002 0.721,1003 0.855,1004 0.911,1005 0.922,1006 0.944,1007 4.7,1008 1.06,1009 5.595,1010 2.998,1011 4.205,1012 4.808,1014 6.447,1015 4.151,1016 5.916,1017 0.769,1018 7.172,1019 2.657,1020 3.761,1021 4.62,1023 7.427,1024 3.692,1025 7.236,1026 0.618,1027 8.855,1028 1.836,1029 5.826,1030 7.087,1032 10.576,1033 5.732,1034 8.596,1035 -0.289,1036 10.601,1037 1.486,1038 6.256,1039 7.807,1041 12.429,1042 6.147,1043 9.994,1044 -0.425,1045 12.389,1046 -0.678,1047 7.763,1048 9.707,1050 15.086,1051 7.634,1052 11.419,1053 -0.618,1054 14.206,1055 -1.04,1056 8.595,1057 10.854,1059 17.281,1060 8.447,1061 12.865,1062 -0.876,1063 16.044,1064 -1.597,1065 9.882,1066 12.524,1068 19.781,1069 9.713,1070 3.238,1071 -1.098,1072 17.897,1073 -2.312,1074 10.895,1075 13.871,1077 22.116,1078 10.705,1079 2.889,1080 11.505,1081 19.762,1082 -2.959,1083 12.096,1084 15.446,1086 24.567,1087 11.884,1088 2.382,1089 9.246,1090 21.636,1091 4.596,1092 13.19,1093 16.886,1095 26.96,1096 12.953,1097 1.993,1098 7.722,1099 23.518,1100 3.815,1101 14.361,1102 18.424,1104 29.397,1105 14.1,1106 1.618,1107 5.677,1108 25.407,1109 2.954,1110 15.491,1111 19.906,1113 31.815,1114 15.205,1115 1.579,1116 4.471,1117 27.3,1118 2.802,1119 16.652,1120 21.431,1122 34.251,1123 16.341,1124 1.369,1125 4.05,1126 29.198,1127 2.167,1128 17.799,1129 22.934,1131 36.68,1132 17.461,1133 3605,1134 5710,1135 16.008,1136 23.836,1137 35.321,1138 35.025,1139 35.914,1140 35.054,1141 35.032,1142 47.142,1144 103.295,1145 34.016,1146 5.593,1147 5.379,1148 6.575,1149 5.285,1150 5.238,1151 7.596,1153 18.72,1154 5.157,1155 5.223,1156 1.536,1157 1.523,1158 1.561,1159 1.524,1160 1.523,1161 2.05,1163 4.491,1164 1.479,1165 4.116,1166 4.165,1167 4.084,1168 4.001,1169 5.274,1170 4.009,1171 3.947,1172 3.984,1173 3.887,1174 3.842,1175 4.905,1176 3.857,1177 3.51,1178 3.569,1179 3.397,1180 3.391,1181 4.734,1182 3.383,1183 3.272,1184 3.375,1185 3.182,1186 3.027,1187 4.517,1188 3.035,1189 3.118,1190 3.199,1191 2.955,1192 2.916,1193 4.034,1194 2.934,1195 2.982,1196 3.084,1197 2.859,1198 2.724,1199 3.735,1200 2.752,1201 2.751,1202 2.828,1203 2.596,1204 2.601,1205 3.675,1206 2.591,1207 2.674,1208 2.766,1209 2.454,1210 2.501,1211 3.354,1212 2.479,1213 0.202,1214 0.147,1215 0.299,1216 0.183,1217 0.141,1218 4.649,1219 0.2,1220 3.379,1222 6.888,1223 0.5,1224 4.213,1225 0.137,1226 3.238,1227 4.596,1229 11.505,1230 3.157,1231 2.01,1232 1.981,1233 2.137,1234 2.092,1235 1.456,1236 2.108,1237 1.809,1238 1.773,1239 1.868,1240 1.983,1241 1.005,1242 1.95,1243 1.558,1244 1.502,1245 1.74,1246 1.741,1247 0.853,1248 1.741,1249 1.239,1250 1.161,1251 1.484,1252 1.537,1253 0.735,1254 1.515,1255 1.103,1256 1.021,1257 1.323,1258 1.342,1259 0.345,1260 1.374,1261 0.882,1262 0.811,1263 1.141,1264 1.196,1265 0.171,1266 1.185,1267 0.791,1268 0.691,1269 1.089,1270 1.078,1271 0.093,1272 1.092,1273 0.737,1274 0.647,1275 1.072,1276 0.946,1277 0.026,1278 0.995,1279 3.85,1281 5.187,1282 2.398,1283 6.739,1284 4.727,1285 8.388,1286 6.862,1287 10.084,1293 5.992,1295 3.179,1299 0.381,1305 22.741,1306 50.709,1307 129.509,1308 153.525,1309 163.525,1310 165.525,1311 169.525,1312 22.589,1313 7.227,1314 80.48,1315 80.48,1316 23,1317 12.448,1318 4.087,1319 3.17,1320 26.119,1321 56,1322 50,1323 0.237,1324 138.562,1325 222.44,1326 329.85,1327 12642,1329 13.527,1330 0.676,1331 0.55,1332 13.527,1333 11.004,1334 9.826,1335 0.427,1336 0.297,1337 6.767,1338 9.528,1339 6.645,1340 5.472,1341 9.826,1342 6.839,1343 8.865,1344 0.269,1345 0.161,1346 8.865,1347 5.3,1348 7.987,1349 0.17,1350 0.088,1351 7.987,1352 4.149,1353 7.107,1354 0.109,1355 0.048,1356 7.107,1357 3.132,1358 5.813,1359 0.071,1360 0.028,1361 5.813,1362 2.287,1363 0.357,1364 61.064,1365 0.25,1366 19.482,1367 0.694,1368 112,1369 276.58,1370 120.076,1371 278.057,1372 395.46,1373 262,1374 136,1375 308.226,1376 144.77,1377 314.269,1378 461.18,1379 297,1380 4}
{0 CHEMBL1241441,1 1.462,2 7.8,3 2.402,4 5.771,5 78.95,6 8.429,7 0.913,8 3.591,9 3.714,10 3.277,11 3.2,12 4.81,13 3.202,14 4.034,15 4.174,16 3.641,17 3.597,18 5.217,19 3.582,20 4.216,21 4.386,22 3.664,23 3.682,24 5.333,25 3.642,26 4.249,27 4.45,28 3.56,29 3.595,30 5.401,31 3.534,32 4.18,33 4.425,34 3.284,35 3.419,36 5.194,37 3.339,38 3.943,39 4.177,40 3.168,41 3.22,42 5.01,43 3.165,44 3.794,45 4.022,46 3.015,47 3.074,48 4.864,49 3.015,50 3.619,51 3.863,52 2.706,53 2.825,54 4.685,55 2.743,56 0.062,57 0.519,58 4.853,59 2.229,60 7.971,61 2.605,62 0.118,63 0.801,64 8.085,65 3.794,66 12.158,67 4.63,68 0.089,69 0.919,70 10.882,71 4.873,72 12.482,73 6.191,74 0.196,75 0.949,76 12.287,77 5.084,78 22.765,79 6.626,80 0.173,81 0.839,82 13.492,83 4.66,84 21.921,85 6.128,86 0.124,87 0.672,88 10.297,89 3.574,90 17.594,91 4.679,92 0.095,93 0.578,94 8.644,95 3.097,96 13.614,97 4.05,98 0.089,99 0.475,100 7.534,101 2.598,102 12.744,103 3.422,104 2,105 33,106 0.267,107 0.58,108 0.726,109 0.83,110 0.858,111 0.881,112 3.06,113 0.817,114 -4.73,115 -4.64,116 -4.36,119 48.4,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 11,174 1,175 4,177 1,178 2,180 2,183 15,185 1,186 1,187 2,192 1,195 14,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 8,209 1,212 6,217 4,220 4,222 2,224 6,229 4,232 2,234 2,237 5,242 4,245 1,247 2,250 4,255 3,260 2,263 2,268 1,273 1,275 428,276 13.93,277 13.93,278 13.93,279 13.93,280 13.93,281 11.525,282 3.162,283 8.154,284 14.153,285 11.37,286 11.37,287 11.37,288 11.37,289 11.37,290 7.812,291 2.5,292 3.853,293 11.715,294 3.492,295 1.779,296 0.981,297 0.411,298 0.258,299 0.129,300 3.763,303 1,304 1,305 1,306 352,307 1.871,310 33.306,311 125.947,314 64.465,315 70.226,318 1.14,319 12.486,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42.5,331 156,332 4.676,333 3.252,334 6.888,335 4.213,336 3.238,337 4.638,339 11.505,340 3.157,341 4.382,342 2.894,343 6.196,344 3.883,345 2.889,346 4.314,348 9.246,349 2.869,350 3.776,351 2.401,352 5.77,353 3.355,354 2.382,355 3.26,357 7.722,358 2.317,359 3.422,360 2.06,361 5.034,362 2.919,363 1.993,364 2.809,366 5.677,367 1.842,368 3.118,369 1.618,370 4.512,371 2.618,372 1.618,373 2.427,375 4.471,376 1.618,377 3.079,378 1.579,379 4.355,380 2.54,381 1.579,382 2.367,384 4.05,385 1.518,386 2.862,387 1.369,388 3.819,389 2.346,390 1.369,391 2.04,393 2.998,394 1.333,395 2.555,396 1.062,397 3.606,398 2.009,399 1.06,400 1.582,402 2.657,403 1.004,404 2.232,405 0.8,406 3.316,407 1.741,408 0.769,409 1.111,411 1.836,412 0.745,413 2.101,414 0.631,415 3.158,416 1.599,417 0.618,418 0.911,420 1.486,421 0.606,422 1.08,423 -0.171,424 2.596,425 0.656,426 -0.289,427 -0.372,428 -0.678,429 -0.268,430 1.021,431 -0.417,432 2.366,433 0.529,434 -0.425,435 -0.605,436 -1.04,437 -0.411,438 0.882,439 -0.618,440 2.199,441 0.382,442 -0.618,443 -0.927,445 -1.597,446 -0.618,447 0.599,448 -0.875,449 2,450 0.089,451 -0.876,452 -1.274,454 -2.312,455 -0.839,456 0.398,457 -1.097,458 2,459 -0.108,460 -1.098,461 -1.637,463 -2.959,464 -1.082,465 9.5,466 0.475,467 0.432,468 0.022,469 31.75,470 1.588,471 18.5,472 0.925,473 13.25,474 0.663,475 10.812,476 0.541,477 19.3,478 0.623,479 19.879,480 0.994,481 6.327,482 0.316,483 3.5,484 0.175,485 0.042,487 0.368,493 0.937,494 0.946,495 0.695,496 0.751,497 1.103,498 0.699,499 0.685,500 0.89,501 0.756,502 0.874,503 0.689,504 0.836,505 0.779,506 1.141,507 0.883,508 1.094,509 0.765,510 1.024,511 0.671,512 1.009,513 1.032,514 1.175,515 0.793,516 1.163,517 1.281,518 0.963,519 1.133,520 0.959,521 1.064,522 1.009,523 1.255,524 1.04,525 1.009,526 0.921,527 1.22,528 0.925,529 1.203,530 1.133,531 1.048,532 1.034,533 1.125,534 1.021,535 1.298,536 1.155,537 1.196,538 1.124,539 1.164,540 1.14,541 3,543 2.444,544 1.25,545 1.259,546 0.379,547 0.303,548 0.227,549 0.062,550 0.038,551 3878,552 10317,553 2.226,554 35.5,556 7,558 1,559 3,564 1.619,565 2.143,566 2.979,567 1.103,569 1,571 1,573 45.313,574 1.462,575 3.175,576 3.973,577 4.543,578 4.696,579 4.825,580 2.423,581 4.122,582 4.298,583 3.053,584 580.082,585 7.349,586 5687.76,587 1,588 1,590 1,591 153.58,592 1.188,593 4.278,594 0.13,596 0.074,597 0.038,598 0.045,599 0.018,600 0.016,601 0.014,602 0.006,603 0.008,604 0.349,605 0.5,606 1,607 0.432,608 86.649,609 -0.045,610 0.13,611 0.025,612 0.124,613 -0.227,614 0.093,615 0.162,616 0.149,617 0.009,618 0.032,619 0.048,620 0.004,621 0.026,622 -0.168,623 -0.03,624 -0.143,625 0.022,626 -0.105,627 0.291,628 -0.03,629 -0.099,630 -0.226,631 0.181,632 -0.224,633 -0.231,634 -0.013,635 -0.083,636 0.027,637 -0.098,638 0.002,639 -0.186,640 -0.073,641 0.017,642 0.048,643 -0.122,644 0.061,645 -0.162,646 -0.171,647 -0.036,648 -0.067,649 -0.086,650 -0.039,651 -0.208,652 -0.204,653 -0.139,654 -0.15,655 -0.044,656 -0.137,657 1.23,658 1.94,659 0.95,660 11.94,661 1.005,662 1.121,663 3.497,664 12.232,665 0.72,666 3.178,667 3.526,668 3.871,669 4.19,670 4.419,671 4.477,672 4.625,673 4.796,674 4.852,675 4.804,676 4.646,677 0.7,678 261.31,679 3.178,680 4.727,681 5.609,682 6.509,683 7.405,684 8.31,685 9.212,686 10.119,687 11.023,688 11.931,689 16.1,693 1,697 1,699 3,703 4,704 8,705 3,706 1,709 3,711 21,722 1,731 31,733 21,734 2,735 23,737 34,738 15,739 15,740 3,741 7,746 4,747 6,761 15,777 1,778 1,781 11,782 4,783 3,784 5,790 5,794 0.5,803 1,806 1,811 1,812 3,815 1,816 1,840 2,848 20,849 1,877 9.333,878 5.6,879 4.306,880 1.736,881 4.356,882 1.603,883 1.101,884 2.361,885 11.583,886 3.541,887 4.259,888 4.984,889 5.676,890 6.271,891 6.662,892 7.171,893 7.705,894 8.106,895 8.414,896 1,897 33,898 7.31,900 3.174,901 7.658,902 13.944,904 11.687,905 2.158,906 43.167,907 0.001,910 94.169,911 92.657,912 99.794,917 92.657,918 94.169,919 99.794,922 99.231,923 63.72,924 38.943,925 2.328,926 82.398,928 94.169,929 192.451,933 94.169,937 29.754,938 112.463,939 50.234,941 94.169,942 99.794,943 92.657,946 94.169,947 17.704,948 74.952,949 16.663,950 83.131,951 94.169,952 99.794,953 92.657,955 0.586,956 0.358,957 0.206,958 0.11,959 19,960 7,961 0.029,962 1,963 2,964 1.211,965 3.284,966 163.035,967 0.211,968 19,969 86.439,974 11.236,975 4.203,976 1.73,977 3.778,978 83.131,979 15.837,980 12.502,981 2.894,984 2.215,986 49.56,987 286.62,988 33.5,999 31.16,1000 34.737,1001 0.295,1002 0.641,1003 0.802,1004 0.917,1005 0.948,1006 0.974,1007 4.756,1008 1.06,1009 5.595,1010 2.998,1011 4.205,1012 4.945,1014 6.447,1015 4.151,1016 6.001,1017 0.769,1018 7.172,1019 2.657,1020 3.761,1021 4.808,1023 7.427,1024 3.692,1025 7.333,1026 0.618,1027 8.855,1028 1.836,1029 5.826,1030 7.317,1032 10.576,1033 5.732,1034 8.71,1035 -0.289,1036 10.601,1037 1.486,1038 6.256,1039 8.071,1041 12.429,1042 6.147,1043 10.121,1044 -0.425,1045 12.389,1046 -0.678,1047 7.763,1048 9.996,1050 15.086,1051 7.634,1052 11.558,1053 -0.618,1054 14.206,1055 -1.04,1056 8.595,1057 11.166,1059 17.281,1060 8.447,1061 13.015,1062 -0.876,1063 16.044,1064 -1.597,1065 9.882,1066 12.852,1068 19.781,1069 9.713,1070 3.238,1071 -1.098,1072 17.897,1073 -2.312,1074 10.895,1075 14.213,1077 22.116,1078 10.705,1079 2.889,1080 11.505,1081 19.762,1082 -2.959,1083 12.096,1084 15.798,1086 24.567,1087 11.884,1088 2.382,1089 9.246,1090 21.636,1091 4.638,1092 13.19,1093 17.246,1095 26.96,1096 12.953,1097 1.993,1098 7.722,1099 23.518,1100 4.314,1101 14.361,1102 18.789,1104 29.397,1105 14.1,1106 1.618,1107 5.677,1108 25.407,1109 3.26,1110 15.491,1111 20.275,1113 31.815,1114 15.205,1115 1.579,1116 4.471,1117 27.3,1118 2.809,1119 16.652,1120 21.803,1122 34.251,1123 16.341,1124 1.369,1125 4.05,1126 29.198,1127 2.427,1128 17.799,1129 23.306,1131 36.68,1132 17.461,1133 3605,1134 5995,1135 16.008,1136 22.313,1137 35.276,1138 34.983,1139 35.914,1140 35.054,1141 35.032,1142 50.92,1144 103.295,1145 34.016,1146 5.336,1147 5.252,1148 6.575,1149 5.285,1150 5.238,1151 7.638,1153 18.72,1154 5.157,1155 5.223,1156 1.534,1157 1.521,1158 1.561,1159 1.524,1160 1.523,1161 2.214,1163 4.491,1164 1.479,1165 4.147,1166 4.183,1167 4.119,1168 4.075,1169 5.28,1170 4.077,1171 3.986,1172 4.025,1173 3.95,1174 3.855,1175 4.94,1176 3.879,1177 3.468,1178 3.516,1179 3.392,1180 3.376,1181 4.851,1182 3.373,1183 3.261,1184 3.36,1185 3.183,1186 2.998,1187 4.524,1188 3.02,1189 3.051,1190 3.12,1191 2.942,1192 2.91,1193 4.265,1194 2.923,1195 2.975,1196 3.064,1197 2.86,1198 2.715,1199 3.856,1200 2.747,1201 2.659,1202 2.726,1203 2.542,1204 2.532,1205 3.69,1206 2.527,1207 2.533,1208 2.627,1209 2.329,1210 2.363,1211 3.384,1212 2.343,1213 0.203,1214 0.141,1215 0.299,1216 0.183,1217 0.141,1218 4.676,1219 0.202,1220 3.252,1222 6.888,1223 0.5,1224 4.213,1225 0.137,1226 3.238,1227 4.638,1229 11.505,1230 3.157,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.805,1238 1.768,1239 1.854,1240 1.985,1241 0.944,1242 1.949,1243 1.513,1244 1.467,1245 1.652,1246 1.693,1247 0.678,1248 1.673,1249 1.196,1250 1.121,1251 1.351,1252 1.489,1253 0.373,1254 1.471,1255 1.05,1256 0.99,1257 1.271,1258 1.223,1259 0.211,1260 1.241,1261 0.862,1262 0.796,1263 1.106,1264 1.179,1265 0.039,1266 1.176,1267 0.781,1268 0.664,1269 1.048,1270 1.046,1271 0.01,1272 1.052,1273 0.611,1274 0.537,1275 0.942,1276 0.807,1278 0.857,1279 3.85,1281 5.187,1282 2.398,1283 6.739,1284 4.727,1285 8.388,1286 6.862,1287 10.084,1293 5.94,1305 21.687,1306 45.313,1307 98.419,1308 123.174,1309 140.825,1310 145.58,1311 149.58,1312 20.041,1313 7.227,1314 80.48,1315 80.48,1316 23,1317 12.448,1318 4.459,1319 3.524,1320 26.119,1321 56,1322 50,1323 0.237,1324 132.707,1325 206.26,1326 315.565,1327 12642,1329 13.527,1330 0.676,1331 0.527,1332 13.527,1333 10.538,1334 9.826,1335 0.427,1336 0.272,1337 6.192,1338 9.528,1339 6.079,1340 5.039,1341 9.826,1342 6.265,1343 8.865,1344 0.269,1345 0.14,1346 8.865,1347 4.617,1348 7.987,1349 0.17,1350 0.073,1351 7.987,1352 3.41,1353 7.107,1354 0.109,1355 0.037,1356 7.107,1357 2.428,1358 5.813,1359 0.071,1360 0.02,1361 5.813,1362 1.633,1363 0.357,1364 61.064,1365 0.25,1366 19.482,1367 0.694,1368 112,1369 298.58,1370 120.076,1371 301.997,1372 430.57,1373 284,1374 136,1375 337.226,1376 144.77,1377 345.481,1378 507.21,1379 326,1380 5.523}
{0 CHEMBL1241481,1 1.619,2 10.414,3 3.105,4 9.639,5 111.536,6 7.246,7 0.516,8 4.103,9 4.235,10 3.635,11 3.538,12 5.245,13 3.538,14 4.634,15 4.827,16 4.04,17 3.904,18 5.772,19 3.899,20 4.83,21 5.01,22 4.088,23 4.065,24 5.933,25 4.041,26 4.993,27 5.241,28 4.156,29 4.118,30 6.09,31 4.074,32 4.928,33 5.128,34 4.045,35 4.075,36 6.131,37 4.037,38 4.853,39 5.062,40 3.996,41 4.072,42 5.93,43 4.005,44 4.935,45 5.164,46 3.886,47 4.051,48 5.995,49 3.955,50 4.93,51 5.194,52 3.697,53 3.924,54 5.871,55 3.792,56 0.09,57 0.826,58 11.972,59 4.502,60 12.603,61 6.351,62 0.488,63 1.233,64 22.811,65 7.232,66 44.795,67 10.606,68 0.514,69 1.479,70 27.726,71 8.139,72 42.242,73 12.004,74 0.519,75 1.613,76 34.223,77 9.799,78 55.159,79 15.274,80 0.87,81 1.503,82 31.931,83 8.187,84 89.376,85 12.407,86 0.378,87 1.457,88 28.384,89 9.444,90 43.483,91 13.947,92 0.615,93 1.451,94 32.035,95 9.653,96 67.749,97 14.533,98 0.673,99 1.277,100 33.664,101 10.247,102 60.251,103 15.206,104 77,105 46,106 0.268,107 0.614,108 0.725,109 0.783,110 0.783,111 0.783,112 3.408,113 0.898,114 -4.32,115 -4.26,116 -4.02,119 36.4,120 5,124 1,127 1,130 1,142 3,143 2,144 2,146 1,147 1,148 1,159 1,161 1,163 1,164 1,165 1,166 1,172 3,174 3,175 11,177 1,178 3,180 2,183 7,185 1,186 1,187 7,190 1,192 2,195 3,198 2,199 13,201 3,202 3,204 5,207 3,209 1,211 3,212 10,217 2,220 2,222 2,223 1,224 6,227 1,229 4,232 7,234 3,236 2,237 3,239 1,240 2,245 8,249 2,250 4,253 2,254 1,257 1,258 3,262 2,268 2,275 1313,276 18.61,277 18.61,278 18.61,279 18.61,280 18.61,281 16.624,282 23.025,283 10.577,284 19.223,285 15.237,286 15.237,287 15.237,288 15.237,289 15.237,290 12.044,291 26.635,292 4.91,293 16.123,294 4.162,295 2.07,296 1.398,297 1.046,298 1.046,299 1.046,300 4.08,304 1,305 1,306 628,307 4.359,310 66.73,311 175.9,314 125.819,318 1.819,319 30.811,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 64,331 302,332 4.76,333 3.768,334 7.039,335 4.302,336 3.339,337 4.732,338 2.186,339 12.088,340 3.219,341 4.286,342 3.379,343 6.448,344 4.073,345 3.136,346 3.925,347 0.86,348 10.163,349 2.929,350 4.142,351 3.207,352 6.248,353 3.861,354 2.902,355 3.245,356 0.366,357 9.374,358 2.78,359 3.827,360 3.037,361 6.072,362 3.51,363 2.556,364 3.196,366 8.576,367 2.434,368 3.722,369 2.676,370 5.715,371 3.338,372 2.379,373 3.099,375 7.472,376 2.275,377 3.419,378 2.422,379 4.938,380 3.036,381 2.077,382 2.563,384 5.754,385 1.966,386 3.03,387 1.945,388 4.819,389 2.683,390 1.742,391 2.239,393 4.818,394 1.636,395 2.982,396 1.821,397 4.471,398 2.471,399 1.53,400 2.126,402 4.144,403 1.432,404 2.87,405 1.534,406 4.259,407 2.428,408 1.477,409 1.996,411 3.891,412 1.396,413 2.522,414 1.084,415 3.862,416 2.009,417 1.062,418 1.53,420 2.763,421 1.003,422 2.128,423 0.941,424 3.493,425 1.78,426 0.817,427 1.035,428 2.059,429 0.785,430 1.751,431 0.87,432 3.155,433 1.435,434 0.539,435 0.63,436 1.005,437 0.477,438 1.242,439 0.798,440 2.846,441 0.943,442 0.036,443 0.04,445 0.075,446 0.032,447 1.057,448 0.435,449 2.695,450 0.62,451 -0.291,452 -0.366,454 -0.685,455 -0.265,456 0.884,457 -0.15,458 2.427,459 0.524,460 -0.419,461 -0.498,463 -1.151,464 -0.386,465 13.4,466 0.462,467 1.07,468 0.037,469 36.25,470 1.25,471 17,472 0.586,473 19.25,474 0.664,475 27.661,476 0.954,477 32.8,478 0.596,479 29.616,480 1.021,481 6.948,482 0.24,483 6.654,484 0.229,485 0.279,486 0.037,487 0.366,493 0.857,494 1.487,495 0.82,496 1.268,497 0.823,498 1.063,499 0.79,500 1.048,501 0.642,502 0.863,503 0.48,504 0.747,505 1.411,506 1.284,507 1.119,508 1.079,509 1.015,510 1.056,511 0.841,512 1.01,513 0.745,514 0.911,515 0.802,516 0.815,517 1.539,518 0.972,519 1.292,520 0.919,521 2.003,522 1.026,523 0.894,524 1.241,525 1,526 1.225,527 0.967,528 1.148,529 1.036,530 1.06,531 1.189,532 1.182,533 1.146,534 1.208,535 1.014,536 0.91,537 1.014,538 1.049,539 0.62,540 1.058,541 8,542 0.183,543 3.556,544 2.917,545 2.287,546 1.285,547 0.952,548 0.665,549 0.351,550 0.271,551 9450,552 25672,553 1.946,554 47.3,556 7,558 1,559 3,561 15,564 1.722,565 1.749,566 3.323,567 0.96,568 1,569 1,573 89.06,574 1.619,575 3.712,576 4.384,577 4.735,578 4.735,579 4.735,580 2.755,581 4.487,582 4.827,583 3.563,584 1446.75,585 8.423,586 19331.3,588 1,590 1,591 317.975,592 1.739,593 4.736,594 0.258,595 0.009,596 0.077,597 0.062,598 0.046,599 0.03,600 0.023,601 0.019,602 0.013,603 0.013,604 0.549,605 0.17,606 1,607 1.521,608 146.247,609 -0.032,610 -0.18,611 0.053,612 -0.113,613 -0.137,614 -0.027,615 0.246,616 0.07,617 0.315,618 0.182,619 0.279,620 0.247,621 -0.219,622 -0.146,623 -0.154,624 -0.052,625 -0.166,626 -0.092,627 0.06,628 0.011,629 0.23,630 0.062,631 0.141,632 0.164,633 -0.192,634 0.121,635 -0.287,636 0.034,637 -0.245,638 -0.109,639 -0.029,640 -0.159,641 -0.069,642 -0.162,643 -0.049,644 -0.13,645 -0.048,646 -0.029,647 -0.224,648 -0.182,649 -0.174,650 -0.227,651 0.036,652 -0.037,653 -0.012,654 -0.062,655 0.085,656 -0.06,657 2.226,658 5.111,659 0.517,660 28.492,661 1.008,662 1.141,663 3.093,664 9.565,665 0.637,666 3.466,667 3.85,668 4.078,669 4.407,670 4.625,671 4.779,672 4.898,673 5.024,674 5.075,675 5.136,676 6.511,677 0.61,678 398.52,679 3.466,680 5.043,681 5.894,682 6.812,683 7.69,684 8.613,685 9.504,686 10.428,687 11.328,688 12.252,689 10.9,693 1,696 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,727 1,729 1,731 55,733 17,734 1,735 31,737 57,738 20,739 11,740 3,741 3,746 3,747 4,752 5,758 1,761 12,762 8,763 1,766 1,771 1,775 1,778 1,781 26,782 8,783 3,784 9,790 6,794 0.667,795 3,803 1,806 1,811 1,812 2,815 1,840 2,844 6,848 29,849 1,855 1,856 2,858 1,860 1,870 5.5,873 1,875 2,877 16.583,878 11.8,879 6.236,880 3.155,881 3.222,882 1.43,883 0.932,884 5.894,885 10.708,886 3.714,887 4.366,888 4.969,889 5.647,890 6.209,891 6.628,892 7.079,893 7.541,894 7.839,895 8.175,896 0.857,897 47,898 10.683,900 4.458,901 7.825,902 20.047,904 15.883,905 2.325,906 67.417,909 1,910 270.735,911 119.378,912 102.919,914 47.145,917 119.378,918 317.88,919 102.919,920 55.009,921 18.011,922 61.326,923 88.865,924 48.91,925 9.09,926 258.964,928 270.735,929 222.296,930 47.145,933 94.169,934 223.711,937 77.004,938 95.058,939 50.234,941 270.735,942 150.063,943 119.378,946 270.735,947 27.321,948 93.833,949 18.011,950 130.276,951 270.735,952 150.063,953 119.378,955 0.596,956 0.328,957 0.187,958 0.101,959 22,960 12,961 0.105,962 6,963 1,964 1.133,965 3.79,966 257.739,967 0.133,968 15,969 134.127,974 21.183,975 8.069,976 4.559,977 1.341,978 148.287,979 6.772,980 13.157,984 2.724,985 1.808,986 50.908,987 540.176,988 40,993 12.111,997 -0.56,999 55.429,1000 62.77,1001 0.28,1002 0.642,1003 0.758,1004 0.819,1005 0.819,1006 0.819,1007 4.99,1008 1.53,1009 5.953,1010 4.818,1011 4.533,1012 5.053,1013 2.399,1014 6.841,1015 4.429,1016 6.25,1017 1.477,1018 7.568,1019 4.144,1020 4.443,1021 5.103,1022 1.784,1023 8.025,1024 4.306,1025 7.599,1026 1.062,1027 9.284,1028 3.891,1029 6.248,1030 7.34,1031 3.523,1032 11.057,1033 6.048,1034 8.983,1035 0.817,1036 11.058,1037 2.763,1038 6.889,1039 8.167,1040 3.59,1041 12.989,1042 6.651,1043 10.395,1044 0.539,1045 12.866,1046 2.059,1047 8.27,1048 9.969,1049 4.911,1050 15.618,1051 7.981,1052 11.829,1053 0.036,1054 14.697,1055 1.005,1056 9.213,1057 11.171,1058 5.289,1059 17.853,1060 8.881,1061 13.281,1062 -0.291,1063 16.545,1064 0.075,1065 10.449,1066 12.806,1067 6.388,1068 20.358,1069 10.073,1070 3.339,1071 -0.419,1072 18.407,1073 -0.685,1074 11.522,1075 14.192,1076 6.93,1077 22.724,1078 11.102,1079 3.136,1080 12.088,1081 20.278,1082 -1.151,1083 12.71,1084 15.764,1085 7.902,1086 25.195,1087 12.249,1088 2.902,1089 10.163,1090 22.158,1091 4.732,1092 13.839,1093 17.236,1094 8.539,1095 27.619,1096 13.336,1097 2.556,1098 9.374,1099 24.045,1100 3.925,1101 15.014,1102 18.787,1103 9.436,1104 30.086,1105 14.471,1106 2.379,1107 8.576,1108 25.939,1109 3.245,1110 16.17,1111 20.3,1112 10.13,1113 32.54,1114 15.586,1115 2.077,1116 7.472,1117 27.838,1118 3.196,1119 17.344,1120 21.846,1121 10.981,1122 35.011,1123 16.722,1124 1.742,1125 5.754,1126 29.742,1127 3.099,1128 18.513,1129 23.379,1130 11.71,1131 37.48,1132 17.852,1133 9526,1134 15872,1135 19.304,1136 35.012,1137 47.914,1138 49.116,1139 49.811,1140 47.092,1141 47.183,1142 60.715,1143 6.825,1144 144.363,1145 44.727,1146 5.647,1147 5.768,1148 6.567,1149 5.376,1150 5.339,1151 7.732,1152 3.889,1153 19.555,1154 5.219,1155 20.004,1156 1.546,1157 1.584,1158 1.607,1159 1.519,1160 1.522,1161 1.959,1162 0.22,1163 4.657,1164 1.443,1165 4.136,1166 4.182,1167 4.118,1168 3.997,1169 7.435,1170 4.02,1171 3.876,1172 3.906,1173 3.834,1174 3.747,1175 5.257,1176 3.765,1177 3.724,1178 3.767,1179 3.61,1180 3.558,1181 4.905,1182 3.558,1183 3.576,1184 3.654,1185 3.445,1186 3.406,1187 4.803,1188 3.399,1189 3.333,1190 3.38,1191 3.256,1192 3.078,1193 4.56,1194 3.12,1195 3.264,1196 3.324,1197 3.123,1198 2.961,1199 4.513,1200 2.986,1201 3.136,1202 3.219,1203 3,1204 2.858,1205 4.342,1206 2.897,1207 2.991,1208 3.095,1209 2.871,1210 2.683,1211 4.077,1212 2.721,1213 0.154,1214 0.122,1215 0.227,1216 0.139,1217 0.108,1218 4.76,1219 0.153,1220 3.768,1221 0.071,1222 7.039,1223 0.39,1224 4.302,1225 0.104,1226 3.339,1227 4.732,1228 2.186,1229 12.088,1230 3.219,1231 1.934,1232 1.914,1233 2.002,1234 2.045,1235 1.157,1236 2.028,1237 1.8,1238 1.753,1239 1.948,1240 2,1241 1.127,1242 1.98,1243 1.694,1244 1.644,1245 1.941,1246 1.896,1247 1.115,1248 1.908,1249 1.614,1250 1.55,1251 1.775,1252 1.817,1253 0.843,1254 1.816,1255 1.236,1256 1.185,1257 1.571,1258 1.521,1259 0.574,1260 1.536,1261 1.18,1262 1.114,1263 1.417,1264 1.51,1265 0.469,1266 1.462,1267 1.015,1268 0.96,1269 1.417,1270 1.357,1271 0.469,1272 1.324,1273 0.934,1274 0.804,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.143,1281 5.509,1282 2.398,1283 7.052,1284 4.844,1285 8.681,1286 7.081,1287 10.358,1289 10.966,1293 6.124,1296 2.708,1297 10.772,1299 0.093,1301 -0.6,1305 33.541,1306 89.06,1307 204.145,1308 241.107,1309 260.426,1310 260.426,1311 260.426,1312 59.698,1313 7.486,1314 117.18,1315 117.18,1316 17,1317 12.763,1318 4.17,1319 3.322,1320 52.39,1321 113,1322 108,1323 0.232,1324 209.772,1325 356.03,1326 503.605,1327 16384,1329 21.345,1330 0.736,1331 0.603,1332 21.345,1333 17.478,1334 13.602,1335 0.439,1336 0.299,1337 9.096,1338 12.862,1339 8.638,1340 7.325,1341 13.602,1342 9.275,1343 13.564,1344 0.295,1345 0.171,1346 13.564,1347 7.886,1348 9.77,1349 0.168,1350 0.071,1351 9.77,1352 4.118,1353 8.849,1354 0.109,1355 0.036,1356 8.849,1357 2.913,1358 6.761,1359 0.067,1360 0.019,1361 6.761,1362 1.885,1363 0.36,1364 86.62,1365 0.228,1366 27.215,1367 0.649,1368 154,1369 481.432,1370 175.786,1371 459.083,1372 631.41,1373 428,1374 181,1375 482.001,1376 201.657,1377 485.259,1378 708.03,1379 451,1380 4.983}
{0 CHEMBL1241482,1 1.751,2 10.733,3 3.357,4 11.269,5 109.271,6 8.943,7 0.794,8 3.973,9 4.074,10 3.687,11 3.513,12 5.263,13 3.547,14 4.431,15 4.559,16 4.069,17 3.893,18 5.711,19 3.919,20 4.623,21 4.777,22 4.126,23 3.974,24 5.969,25 3.984,26 4.697,27 4.88,28 4.106,29 3.965,30 5.947,31 3.968,32 4.679,33 4.861,34 4.076,35 3.951,36 5.874,37 3.954,38 4.691,39 4.883,40 4.068,41 3.933,42 5.929,43 3.937,44 4.673,45 4.879,46 4.018,47 3.869,48 5.96,49 3.862,50 4.558,51 4.746,52 3.903,53 3.764,54 5.952,55 3.766,56 0.177,57 0.791,58 6.129,59 3.519,60 15.473,61 3.514,62 0.354,63 1.237,64 11.061,65 5.634,66 23.529,67 5.922,68 0.583,69 1.45,70 15.755,71 7.085,72 60.799,73 7.7,74 0.63,75 1.53,76 18.346,77 7.299,78 58.21,79 8.083,80 0.576,81 1.403,82 18.22,83 6.984,84 43.661,85 7.92,86 0.61,87 1.458,88 19.018,89 6.963,90 50.469,91 7.95,92 0.711,93 1.39,94 21.14,95 7.597,96 63.118,97 9.444,98 0.72,99 1.317,100 18.027,101 6.502,102 79.186,103 7.025,104 10,105 49,106 0.293,107 0.66,108 0.773,109 0.855,110 0.876,111 0.876,112 3.441,113 0.799,114 -5.1,115 -5,116 -4.68,119 46.7,125 1,142 8,143 3,144 2,146 2,147 1,148 1,152 1,160 1,161 1,163 1,164 1,165 1,166 1,172 9,174 3,175 6,177 1,178 1,180 2,183 9,185 1,186 2,187 6,192 2,195 6,198 4,199 10,201 3,202 3,204 2,207 1,209 1,211 2,212 12,215 1,217 3,222 2,223 1,224 10,227 1,229 1,232 1,234 1,236 1,237 8,239 1,240 3,241 1,244 1,245 3,249 1,250 7,252 1,253 1,255 1,258 6,260 1,263 4,266 1,268 2,271 8,273 2,275 1456,276 20.568,277 20.568,278 20.568,279 20.568,280 20.568,281 17.298,282 14.085,283 12.017,284 20.952,285 16.792,286 16.792,287 16.792,288 16.792,289 16.792,290 11.988,291 17.287,292 5.698,293 17.467,294 3.741,295 1.555,296 0.878,297 0.389,298 0.267,299 0.267,300 4.15,304 1,305 1,306 714,307 2.55,310 132.537,311 241.266,314 113.201,318 1.502,319 37.662,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66.5,331 322,332 4.749,333 3.373,334 7.004,335 4.287,336 3.321,337 4.725,338 0.522,339 11.969,340 3.207,341 4.388,342 3.171,343 6.514,344 4.011,345 3.028,346 4.057,348 10.236,349 2.976,350 4.209,351 3.09,352 6.081,353 3.765,354 2.811,355 3.877,357 8.749,358 2.675,359 3.756,360 2.542,361 5.807,362 3.357,363 2.398,364 3.235,366 7.737,367 2.306,368 3.681,369 2.444,370 5.585,371 3.268,372 2.317,373 3.097,375 7.124,376 2.191,377 3.599,378 2.211,379 5.212,380 3.118,381 2.15,382 3.064,384 6.213,385 2.067,386 3,387 1.87,388 4.483,389 2.516,390 1.545,391 2.238,393 4.205,394 1.505,395 2.939,396 1.645,397 4.464,398 2.448,399 1.506,400 2.114,402 4.049,403 1.412,404 2.82,405 1.531,406 4.04,407 2.365,408 1.414,409 1.948,411 3.512,412 1.333,413 2.785,414 1.411,415 4.022,416 2.323,417 1.366,418 1.896,420 3.336,421 1.301,422 2.557,423 1.164,424 3.664,425 2.044,426 1.097,427 1.583,428 2.695,429 1.035,430 2.5,431 1.068,432 3.514,433 2,434 1,435 1.5,436 2.444,437 1,438 2.418,439 1,440 3.338,441 1.92,442 0.989,443 1.385,445 2.136,446 0.917,447 2.269,448 0.778,449 3.247,450 1.757,451 0.778,452 1.156,454 1.945,455 0.76,456 1.374,457 0.588,458 2.841,459 0.993,460 0.107,461 0.129,463 0.236,464 0.092,465 13.852,466 0.462,467 0.73,468 0.024,469 45.5,470 1.517,471 25,472 0.833,473 20.5,474 0.683,475 20.238,476 0.675,477 30.548,478 0.679,479 35.705,480 1.19,481 9.251,482 0.308,483 5.364,484 0.179,485 0.074,487 0.39,491 1,493 0.808,494 1.031,495 0.646,496 0.904,497 0.775,498 0.767,499 0.777,500 0.98,501 0.721,502 0.925,503 0.638,504 0.833,505 0.887,506 1.171,507 0.895,508 1.063,509 0.811,510 1.005,511 0.966,512 0.984,513 1.036,514 1.021,515 0.951,516 1.035,517 0.89,518 0.951,519 0.977,520 0.986,521 0.566,522 0.988,523 0.929,524 0.941,525 0.995,526 0.977,527 0.741,528 0.98,529 0.777,530 0.897,531 0.833,532 0.911,533 0.702,534 0.895,535 1.19,536 0.804,537 1.077,538 0.873,539 1.095,540 0.936,541 5,542 0.14,543 3.778,544 2.354,545 1.758,546 0.883,547 0.805,548 0.587,549 0.359,550 0.207,551 11582,552 37003,553 2.165,554 33.3,556 10,558 2,559 3,564 1.734,565 2.045,566 3.391,567 0.933,568 1,569 1,573 78.782,574 1.751,575 3.937,576 4.614,577 5.103,578 5.225,579 5.225,580 2.84,581 4.64,582 4.878,583 3.519,584 1530.93,585 8.539,586 20562.6,588 1,590 1,591 247.133,592 1.347,593 4.848,594 0.147,595 0.006,596 0.077,597 0.047,598 0.037,599 0.019,600 0.017,601 0.014,602 0.009,603 0.007,604 0.38,605 0.17,606 0.88,607 0.496,608 151.755,609 -0.094,610 -0.046,611 0.017,612 0.02,613 -0.137,614 0.045,615 -0.005,616 0.009,617 0.023,618 0.001,619 -0.011,620 0.013,621 0.031,622 -0.162,623 -0.032,624 -0.106,625 0.09,626 -0.096,627 -0.05,628 0.026,629 -0.119,630 -0.099,631 -0.095,632 -0.124,633 -0.076,634 -0.094,635 -0.063,636 -0.068,637 -0.003,638 -0.059,639 -0.069,640 -0.04,641 -0.053,642 -0.059,643 -0.04,644 -0.045,645 0.165,646 -0.01,647 0.206,648 0.064,649 0.144,650 0.123,651 -0.036,652 0.172,653 -0.064,654 0.092,655 0.043,656 0.017,657 2.388,658 5.526,659 0.867,660 26.6,661 1.027,662 1.129,663 3.871,664 14.988,665 0.704,666 3.555,667 3.912,668 4.248,669 4.564,670 4.804,671 4.934,672 5.13,673 5.318,674 5.429,675 5.501,676 6.307,677 0.702,678 402.42,679 3.555,680 5.118,681 5.999,682 6.901,683 7.801,684 8.711,685 9.619,686 10.534,687 11.447,688 12.364,689 13.3,693 1,697 1,699 4,703 2,704 10,705 4,707 1,709 8,710 1,711 27,722 1,728 1,730 1,731 45,733 27,734 2,735 34,737 49,738 21,739 20,740 4,741 8,746 5,747 6,761 20,762 1,778 1,779 1,781 15,782 8,783 3,784 9,790 6,794 0.8,795 2,799 1,803 1,806 1,811 2,812 3,815 1,840 4,846 1,848 30,849 1,853 1,854 1,869 1,870 4.4,872 1,875 1,877 14.667,878 8.176,879 6.472,880 2.474,881 4.924,882 1.605,883 1.033,884 4.509,885 13.057,886 3.882,887 4.57,888 5.247,889 5.908,890 6.451,891 6.839,892 7.345,893 7.843,894 8.22,895 8.595,896 1,897 50,898 11.053,900 4.897,901 7.956,902 20.446,904 16.935,905 2.456,906 73.667,909 1,910 141.253,911 130.916,912 101.693,914 52.191,915 14.96,917 130.916,918 193.444,919 116.653,921 2.106,922 108.707,923 146.271,924 43.481,925 22.737,926 117.711,928 141.253,929 232.609,930 67.151,933 156.213,934 52.191,937 31.04,938 134.549,939 67.02,941 156.213,942 153.884,943 130.916,946 141.253,947 35.176,948 97.516,950 167.068,951 141.253,952 168.844,953 130.916,955 0.588,956 0.356,957 0.198,958 0.108,959 26,960 11,961 0.082,962 4,963 1,964 1.077,965 4.087,966 287.889,967 0.077,968 26,969 143.207,974 18.432,975 7.338,976 3.258,977 0.987,978 167.068,979 16.341,980 17.312,982 5.616,984 2.146,985 1.621,986 75.581,987 441.013,988 47.5,999 46.196,1000 50.824,1001 0.319,1002 0.717,1003 0.84,1004 0.929,1005 0.951,1006 0.951,1007 5.116,1008 1.506,1009 5.994,1010 4.205,1011 4.595,1012 5.257,1013 0.434,1014 6.853,1015 4.519,1016 6.356,1017 1.414,1018 7.58,1019 4.049,1020 4.205,1021 5.094,1023 7.842,1024 4.084,1025 7.685,1026 1.366,1027 9.27,1028 3.512,1029 6.229,1030 7.56,1031 0.138,1032 10.997,1033 6.089,1034 9.055,1035 1.097,1036 11.021,1037 3.336,1038 6.698,1039 8.28,1041 12.852,1042 6.516,1043 10.459,1044 1,1045 12.813,1046 2.695,1047 8.178,1048 10.176,1049 0.039,1050 15.524,1051 7.978,1052 11.889,1053 0.989,1054 14.632,1055 2.444,1056 9.033,1057 11.316,1059 17.731,1060 8.794,1061 13.34,1062 0.778,1063 16.472,1064 2.136,1065 10.308,1066 12.983,1067 0.011,1068 20.25,1069 10.047,1070 3.321,1071 0.107,1072 18.326,1073 1.945,1074 11.336,1075 14.328,1077 22.605,1078 11.04,1079 3.028,1080 11.969,1081 20.193,1082 0.236,1083 12.537,1084 15.904,1085 0.003,1086 25.08,1087 12.215,1088 2.811,1089 10.236,1090 22.07,1091 4.725,1092 13.644,1093 17.348,1095 27.498,1096 13.288,1097 2.398,1098 8.749,1099 23.954,1100 4.057,1101 14.821,1102 18.893,1103 0.001,1104 29.963,1105 14.436,1106 2.317,1107 7.737,1108 25.846,1109 3.877,1110 15.965,1111 20.385,1113 32.409,1114 15.546,1115 2.15,1116 7.124,1117 27.743,1118 3.235,1119 17.137,1120 21.921,1122 34.875,1123 16.688,1124 1.545,1125 6.213,1126 29.646,1127 3.097,1128 18.299,1129 23.438,1131 37.335,1132 17.816,1133 10776,1134 19433,1135 23.175,1136 31.688,1137 52.223,1138 52.376,1139 53.241,1140 51.664,1141 51.649,1142 72.009,1143 1.043,1144 153.174,1145 49.556,1146 5.55,1147 5.373,1148 6.806,1149 5.361,1150 5.321,1151 7.725,1152 1.043,1153 19.371,1154 5.207,1155 12.406,1156 1.536,1157 1.54,1158 1.566,1159 1.52,1160 1.519,1161 2.118,1162 0.031,1163 4.505,1164 1.458,1165 4.143,1166 4.186,1167 4.126,1168 4.001,1169 8.201,1170 4.024,1171 3.966,1172 3.989,1173 3.928,1174 3.879,1175 6.465,1176 3.883,1177 3.841,1178 3.868,1179 3.805,1180 3.723,1181 5.263,1182 3.74,1183 3.701,1184 3.728,1185 3.639,1186 3.519,1187 5.153,1188 3.549,1189 3.332,1190 3.42,1191 3.278,1192 3.041,1193 4.858,1194 3.089,1195 3.07,1196 3.136,1197 3.011,1198 2.877,1199 4.711,1200 2.899,1201 2.933,1202 3.013,1203 2.805,1204 2.746,1205 4.571,1206 2.748,1207 2.897,1208 2.966,1209 2.758,1210 2.735,1211 4.369,1212 2.715,1213 0.14,1214 0.099,1215 0.206,1216 0.126,1217 0.098,1218 4.749,1219 0.139,1220 3.373,1221 0.015,1222 7.004,1223 0.352,1224 4.287,1225 0.094,1226 3.321,1227 4.725,1228 0.522,1229 11.969,1230 3.207,1231 1.923,1232 1.904,1233 2.024,1234 2.035,1235 1.128,1236 2.017,1237 1.911,1238 1.886,1239 1.985,1240 1.996,1241 1.105,1242 2.001,1243 1.769,1244 1.728,1245 1.837,1246 1.948,1247 0.966,1248 1.927,1249 1.514,1250 1.474,1251 1.648,1252 1.746,1253 0.77,1254 1.715,1255 1.206,1256 1.155,1257 1.335,1258 1.494,1259 0.34,1260 1.439,1261 1.132,1262 1.101,1263 1.232,1264 1.385,1265 0.218,1266 1.344,1267 0.928,1268 0.873,1269 1.181,1270 1.231,1271 0.207,1272 1.209,1273 0.886,1274 0.838,1275 1.152,1276 1.149,1277 0.126,1278 1.133,1279 4.234,1281 5.58,1282 3.045,1283 7.122,1284 5.416,1285 8.754,1286 7.545,1287 10.434,1291 13.526,1293 6.093,1294 9.784,1295 0.24,1305 31.575,1306 78.782,1307 177.159,1308 207.624,1309 229.624,1310 235.133,1311 235.133,1312 51.454,1313 8.133,1314 115.88,1315 115.88,1316 28,1317 12.876,1318 4.807,1319 3.858,1320 41.362,1321 112,1322 117,1323 0.18,1324 190.07,1325 313.53,1326 455.532,1327 39771,1328 2.2,1329 20.665,1330 0.689,1331 0.518,1332 19.794,1333 15.527,1334 14.614,1335 0.43,1336 0.266,1337 8.885,1338 13.926,1339 8.764,1340 7.22,1341 14.204,1342 9.052,1343 13.325,1344 0.272,1345 0.135,1346 12.83,1347 6.62,1348 11.846,1349 0.172,1350 0.069,1351 11.184,1352 4.76,1353 10.139,1354 0.107,1355 0.035,1356 10.031,1357 3.353,1358 8.273,1359 0.068,1360 0.018,1361 8.073,1362 2.228,1363 0.276,1364 92.671,1365 0.208,1366 27.857,1367 0.512,1368 166,1369 575.534,1370 186.412,1371 533.109,1372 731.82,1373 498,1374 201,1375 553.133,1376 223.072,1377 551.834,1378 812.41,1379 519,1380 4}
{0 CHEMBL1241483,1 1.716,2 7.364,3 2.615,4 6.839,5 83.243,6 7.931,7 0.667,8 3.764,9 3.891,10 3.378,11 3.236,12 4.975,13 3.25,14 4.267,15 4.451,16 3.756,17 3.594,18 5.434,19 3.607,20 4.428,21 4.613,22 3.871,23 3.711,24 5.693,25 3.721,26 4.534,27 4.749,28 3.833,29 3.759,30 5.733,31 3.737,32 4.516,33 4.734,34 3.664,35 3.736,36 5.617,37 3.682,38 4.434,39 4.636,40 3.635,41 3.668,42 5.61,43 3.606,44 4.521,45 4.788,46 3.415,47 3.536,48 5.628,49 3.43,50 4.334,51 4.633,52 3.12,53 3.198,54 5.47,55 3.071,56 0.101,57 0.666,58 7.109,59 3.098,60 9.489,61 3.934,62 0.298,63 1.013,64 14.192,65 4.97,66 26.195,67 6.559,68 0.447,69 1.195,70 16.729,71 5.35,72 36.482,73 7.209,74 0.458,75 1.256,76 19.503,77 6.246,78 45.047,79 8.473,80 0.457,81 1.174,82 19.326,83 6.073,84 44.788,85 8.356,86 0.329,87 1.089,88 16.691,89 5.877,90 32.113,91 8.373,92 0.562,93 1.022,94 21.617,95 6.122,96 52.501,97 9.213,98 0.52,99 0.795,100 20.129,101 5.745,102 60.786,103 8.603,104 30,105 35,106 0.307,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.148,113 0.856,114 -4.77,115 -4.68,116 -4.4,119 39.5,120 2,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 8,177 1,178 1,180 1,183 4,185 1,186 1,187 7,195 3,198 2,199 8,201 3,202 3,204 1,207 3,209 1,211 1,212 6,217 2,220 2,222 2,223 1,224 4,229 3,232 4,234 3,236 2,239 1,240 1,245 2,250 2,275 610,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.762,282 14.185,283 8.34,284 15.132,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.794,291 11.755,292 3.808,293 12.451,294 3.532,295 1.368,296 0.764,297 0.639,298 0.639,299 0.639,300 3.822,303 1,304 1,305 1,306 340,307 2.828,310 42.346,311 114.652,314 80.972,318 1.091,319 26.063,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49,331 162,332 4.76,333 3.386,334 7.039,335 4.302,336 3.338,337 4.732,338 0.86,339 12.087,340 3.217,341 4.239,342 3.221,343 6.203,344 3.809,345 2.861,346 3.899,348 9.116,349 2.71,350 3.818,351 2.686,352 6.004,353 3.489,354 2.54,355 3.216,357 8.33,358 2.403,359 3.69,360 2.449,361 5.688,362 3.283,363 2.336,364 3.096,366 7.355,367 2.201,368 3.031,369 2.151,370 4.819,371 2.683,372 1.743,373 2.249,375 4.818,376 1.636,377 2.984,378 1.822,379 4.469,380 2.472,381 1.539,382 2.127,384 4.123,385 1.431,386 2.881,387 1.549,388 4.202,389 2.431,390 1.503,391 2.018,393 3.827,394 1.382,395 2.521,396 1.093,397 3.861,398 2.006,399 1.062,400 1.531,402 2.759,403 0.999,404 2.127,405 0.942,406 3.491,407 1.775,408 0.815,409 1.033,411 2.05,412 0.78,413 1.718,414 0.866,415 2.879,416 1.401,417 0.525,418 0.608,420 0.884,421 0.455,422 1.125,423 0.449,424 2.693,425 0.763,426 -0.132,427 -0.157,428 -0.255,429 -0.115,430 1.047,431 -0.159,432 2.425,433 0.596,434 -0.309,435 -0.396,436 -0.707,437 -0.279,438 0.648,439 -0.516,440 2.257,441 0.176,442 -0.759,443 -1,445 -2,446 -0.704,447 0.577,448 -0.712,449 2.199,450 0.101,451 -0.849,452 -1.002,454 -2.058,455 -0.795,456 0.215,457 -0.858,458 2,460 -1,461 -1.141,463 -2.325,464 -0.973,465 10.119,466 0.46,467 0.648,468 0.029,469 29.75,470 1.352,471 15,472 0.682,473 14.75,474 0.67,475 16.591,476 0.754,477 24.081,478 0.634,479 21.575,480 0.981,481 5.92,482 0.269,483 4.604,484 0.209,485 0.216,487 0.435,491 1,493 0.733,494 1.195,495 0.714,496 1.128,497 0.697,498 0.954,499 0.884,500 0.988,501 0.654,502 0.825,503 0.618,504 0.714,505 0.963,506 1.196,507 0.843,508 0.963,509 0.84,510 0.876,511 0.944,512 0.985,513 0.952,514 0.958,515 0.934,516 0.95,517 1.065,518 1.005,519 1.189,520 1.027,521 1.008,522 1.102,523 0.663,524 1.145,525 1.072,526 1.361,527 0.653,528 1.327,529 0.757,530 0.849,531 1.096,532 1.062,533 0.908,534 1.136,535 0.784,536 0.768,537 0.801,538 0.959,539 0.655,540 0.922,541 4.5,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.458,549 0.209,550 0.031,551 4137,552 12914,553 2.017,554 42.1,556 7,558 1,559 2,561 6,564 1.653,565 1.833,566 2.92,567 0.393,568 1,569 1,571 1,573 65.208,574 1.716,575 3.88,576 4.484,577 4.609,578 4.609,579 4.609,580 2.244,581 4.096,582 4.431,583 3.037,584 701.588,585 7.655,586 7470.94,587 1,588 1,589 1,590 1,591 199.421,592 1.544,593 4.36,594 0.188,596 0.089,597 0.057,598 0.051,599 0.03,600 0.02,601 0.023,602 0.015,603 0.005,604 0.478,605 0.33,606 1,607 1.003,608 98.25,609 -0.034,610 -0.116,611 0.046,612 -0.074,613 -0.102,614 -0.008,615 -0.013,616 -0.01,617 0.227,618 0.171,619 0.052,620 0.237,621 0.011,622 -0.112,623 0.052,624 0.012,625 0.064,626 0.044,627 -0.051,628 0.038,629 -0.035,630 -0.004,631 -0.049,632 -0.015,633 -0.19,634 0.009,635 -0.277,636 -0.059,637 -0.154,638 -0.156,639 0.039,640 -0.213,641 -0.206,642 -0.371,643 0.011,644 -0.357,645 0.101,646 -0.009,647 -0.097,648 -0.138,649 -0.063,650 -0.159,651 0.265,652 0.02,653 0.309,654 0.016,655 0.35,656 0.133,657 2.094,658 5.612,659 0.682,660 14.818,661 1.017,662 1.146,663 3.54,664 12.533,665 0.658,666 3.219,667 3.584,668 3.912,669 4.22,670 4.477,671 4.605,672 4.682,673 4.787,674 4.745,675 4.635,676 4.745,677 0.641,678 301.36,679 3.219,680 4.779,681 5.659,682 6.569,683 7.476,684 8.394,685 9.31,686 10.232,687 11.151,688 12.075,689 13.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 1,730 1,731 38,733 16,734 1,735 24,737 40,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 4,777 1,778 1,779 1,781 16,782 6,783 2,784 7,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,846 1,848 22,849 1,856 1,858 1,869 1,870 2.6,875 1,877 12,878 7.86,879 4.861,880 2.191,881 3.155,882 1.453,883 0.979,884 3.709,885 10.117,886 3.497,887 4.186,888 4.882,889 5.555,890 6.142,891 6.55,892 6.98,893 7.429,894 7.679,895 7.931,896 0.8,897 38,898 8.097,900 3.45,901 7.932,902 15.065,904 12.095,905 2.432,906 53.5,910 164.795,911 92.504,912 84.908,914 11,915 14.96,917 92.504,918 175.795,919 99.868,920 28.533,922 61.326,923 63.72,924 44.275,925 17.288,926 153.024,928 164.795,929 177.412,930 25.96,933 109.129,934 81.626,937 32.518,938 94.66,939 50.234,941 179.756,942 95.908,943 92.504,946 164.795,947 26.923,948 67.357,950 109.091,951 164.795,952 110.868,953 92.504,955 0.59,956 0.363,957 0.201,958 0.114,959 18,960 9,961 0.075,962 3,963 1,964 1.133,965 3.227,966 181.529,967 0.133,968 15,969 96.107,974 14.73,975 5.54,976 2.432,977 1.311,978 109.091,979 5.979,980 12.889,984 1.377,985 1.776,986 32.897,987 368.167,988 32,999 38.651,1000 43.532,1001 0.327,1002 0.739,1003 0.854,1004 0.878,1005 0.878,1006 0.878,1007 4.745,1008 1.062,1009 5.68,1010 3.827,1011 4.263,1012 4.871,1013 0.908,1014 6.567,1015 4.156,1016 5.996,1017 0.815,1018 7.292,1019 2.759,1020 4.007,1021 4.856,1023 7.633,1024 3.858,1025 7.34,1026 0.525,1027 9.006,1028 2.05,1029 5.927,1030 7.211,1031 0.739,1032 10.774,1033 5.735,1034 8.726,1035 -0.132,1036 10.777,1037 0.884,1038 6.479,1039 8.036,1041 12.671,1042 6.245,1043 10.146,1044 -0.309,1045 12.584,1046 -0.255,1047 7.912,1048 9.887,1049 0.593,1050 15.356,1051 7.645,1052 11.591,1053 -0.759,1054 14.417,1055 -0.707,1056 8.817,1057 11.101,1059 17.597,1060 8.51,1061 13.055,1062 -0.849,1063 16.269,1064 -2,1065 10.077,1066 12.758,1067 0.469,1068 20.138,1069 9.739,1070 3.338,1071 -1,1072 18.136,1073 -2.058,1074 11.14,1075 14.153,1077 22.524,1078 10.764,1079 2.861,1080 12.087,1081 20.014,1082 -2.325,1083 12.342,1084 15.735,1085 0.366,1086 25.022,1087 11.935,1088 2.54,1089 9.116,1090 21.902,1091 4.732,1092 13.474,1093 17.214,1095 27.469,1096 13.031,1097 2.336,1098 8.33,1099 23.798,1100 3.899,1101 14.662,1102 18.77,1103 0.283,1104 29.958,1105 14.186,1106 1.743,1107 7.355,1108 25.701,1109 3.216,1110 15.826,1111 20.287,1113 32.429,1114 15.316,1115 1.539,1116 4.818,1117 27.611,1118 3.096,1119 17.013,1120 21.835,1121 0.217,1122 34.917,1123 16.469,1124 1.503,1125 4.123,1126 29.525,1127 2.249,1128 18.194,1129 23.37,1131 37.4,1132 17.615,1133 4176,1134 7498,1135 15.433,1136 24.989,1137 36.872,1138 37.532,1139 39.052,1140 36.554,1141 36.523,1142 49.016,1143 1.72,1144 110.7,1145 34.43,1146 5.44,1147 5.386,1148 6.567,1149 5.374,1150 5.338,1151 7.732,1152 1.72,1153 19.553,1154 5.217,1155 12.753,1156 1.536,1157 1.564,1158 1.627,1159 1.523,1160 1.522,1161 2.042,1162 0.072,1163 4.612,1164 1.435,1165 4.133,1166 4.18,1167 4.117,1168 3.993,1169 8.201,1170 4.016,1171 3.852,1172 3.878,1173 3.816,1174 3.732,1175 5.256,1176 3.749,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.884,1182 3.399,1183 3.276,1184 3.341,1185 3.167,1186 3.019,1187 4.751,1188 3.049,1189 3.172,1190 3.257,1191 3.018,1192 2.922,1193 4.512,1194 2.933,1195 3.003,1196 3.111,1197 2.886,1198 2.694,1199 4.307,1200 2.733,1201 2.874,1202 3.009,1203 2.718,1204 2.638,1205 4.046,1206 2.628,1207 2.804,1208 2.874,1209 2.563,1210 2.618,1211 3.687,1212 2.57,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 3.386,1221 0.036,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1228 0.86,1229 12.087,1230 3.217,1231 1.924,1232 1.906,1233 1.989,1234 2.039,1235 1.153,1236 2.019,1237 1.794,1238 1.747,1239 1.944,1240 1.986,1241 1.106,1242 1.971,1243 1.61,1244 1.546,1245 1.769,1246 1.814,1247 0.827,1248 1.811,1249 1.215,1250 1.151,1251 1.571,1252 1.521,1253 0.574,1254 1.536,1255 1.11,1256 1.04,1257 1.417,1258 1.39,1259 0.469,1260 1.364,1261 0.934,1262 0.804,1263 1.25,1264 1.239,1265 0.251,1266 1.308,1267 0.874,1268 0.782,1269 1.147,1270 1.218,1271 0.141,1272 1.201,1273 0.789,1274 0.72,1275 1.052,1276 1.064,1277 0.033,1278 1.055,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 5.421,1291 13.612,1293 5.999,1297 5.032,1299 0.105,1305 24.366,1306 65.208,1307 147.447,1308 170.402,1309 175.157,1310 175.157,1311 175.157,1312 37.831,1313 6.961,1314 78.85,1315 78.85,1316 17,1317 12.582,1318 4.087,1319 3.17,1320 34.146,1321 61,1322 62,1323 0.282,1324 151.15,1325 249.66,1326 360.565,1327 8101,1328 2.6,1329 15.853,1330 0.721,1331 0.57,1332 14.983,1333 12.539,1334 10.524,1335 0.439,1336 0.285,1337 6.706,1338 9.936,1339 6.472,1340 5.428,1341 10.113,1342 6.852,1343 9.676,1344 0.276,1345 0.148,1346 9.158,1347 5.194,1348 8.326,1349 0.17,1350 0.07,1351 7.8,1352 3.432,1353 7.05,1354 0.105,1355 0.035,1356 6.733,1357 2.365,1358 5.768,1359 0.066,1360 0.019,1361 5.588,1362 1.612,1363 0.419,1364 67.268,1365 0.255,1366 20.946,1367 0.853,1368 118,1369 419.739,1370 134.146,1371 378.867,1372 517.83,1373 354,1374 143,1375 390.172,1376 160.305,1377 388.166,1378 571.51,1379 363,1380 6.265}
{0 CHEMBL1241484,1 1.752,2 7.286,3 2.823,4 7.97,5 83.062,6 8.679,7 0.696,8 3.689,9 3.811,10 3.375,11 3.216,12 4.908,13 3.216,14 4.166,15 4.335,16 3.79,17 3.601,18 5.342,19 3.59,20 4.382,21 4.563,22 3.924,23 3.717,24 5.624,25 3.698,26 4.46,27 4.677,28 3.785,29 3.711,30 5.631,31 3.665,32 4.365,33 4.572,34 3.626,35 3.646,36 5.481,37 3.589,38 4.323,39 4.515,40 3.645,41 3.603,42 5.516,43 3.536,44 4.412,45 4.671,46 3.443,47 3.491,48 5.574,49 3.349,50 4.192,51 4.499,52 3.173,53 3.107,54 5.24,55 2.914,56 0.11,57 0.559,58 5.796,59 2.73,60 12.033,61 3.335,62 0.203,63 0.857,64 11.465,65 4.618,66 19.691,67 6.008,68 0.361,69 0.993,70 17.113,71 5.394,72 33.882,73 6.895,74 0.432,75 1.044,76 20.661,77 6.041,78 41.741,79 8.023,80 0.333,81 0.973,82 14.648,83 5.095,84 32.168,85 6.834,86 0.284,87 0.907,88 14.01,89 5.202,90 26.737,91 6.951,92 0.482,93 0.821,94 20.201,95 6.052,96 58.087,97 8.529,98 0.417,99 0.504,100 21.886,101 5.85,102 50.988,103 8.326,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.892,114 -4.64,115 -4.56,116 -4.29,119 40,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 5,185 1,186 1,187 5,192 3,195 5,198 2,199 7,201 3,202 3,204 2,207 4,209 1,212 5,215 1,217 3,220 2,222 2,224 5,227 1,229 3,232 5,234 3,237 1,240 2,241 1,244 1,245 2,250 2,255 3,260 1,271 2,275 530,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 11.84,282 12.009,283 7.818,284 14.185,285 11.301,286 11.301,287 11.301,288 11.301,289 11.301,290 8.368,291 8.708,292 3.657,293 12.044,294 3.378,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.777,301 1,303 1,304 1,305 1,306 323,307 2.646,310 39.793,311 107.231,314 76.128,318 1.061,319 22.794,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 45.833,331 153,332 4.76,333 3.382,334 7.039,335 4.301,336 3.338,337 4.732,339 12.086,340 3.216,341 4.216,342 3.175,343 6.179,344 3.767,345 2.827,346 3.879,348 8.977,349 2.652,350 3.814,351 2.686,352 5.927,353 3.477,354 2.533,355 3.214,357 8.067,358 2.382,359 3.679,360 2.451,361 5.657,362 3.254,363 2.321,364 3.085,366 7.235,367 2.12,368 3.03,369 1.888,370 4.819,371 2.683,372 1.743,373 2.244,375 4.818,376 1.635,377 2.98,378 1.816,379 4.469,380 2.443,381 1.508,382 2.126,384 4.123,385 1.405,386 2.82,387 1.53,388 4.039,389 2.346,390 1.414,391 1.948,393 3.512,394 1.279,395 2.521,396 1.092,397 3.86,398 2.003,399 1.062,400 1.531,402 2.758,403 0.991,404 2.127,405 0.872,406 3.49,407 1.772,408 0.815,409 1.033,411 2.05,412 0.772,413 1.371,414 0.585,415 2.736,416 0.925,417 0.103,418 0.124,420 0.227,421 0.072,422 1.058,423 -0.149,424 2.427,425 0.616,426 -0.294,427 -0.374,428 -0.685,429 -0.267,430 0.781,431 -0.284,432 2.375,433 0.35,434 -0.595,435 -0.77,436 -1.604,437 -0.539,438 0.621,439 -0.709,440 2.256,441 0.106,442 -0.815,443 -1,445 -2,446 -0.711,447 0.227,448 -0.856,449 2.131,451 -1,452 -1.114,454 -2.268,455 -0.887,457 -1,458 1.805,459 -0.151,460 -1.062,461 -1.285,463 -3.043,464 -1,465 10.048,466 0.478,467 0.686,468 0.033,469 29,470 1.381,471 15,472 0.714,473 14,474 0.667,475 15.87,476 0.756,477 22.352,478 0.639,479 19.967,480 0.951,481 5.545,482 0.264,483 4.441,484 0.211,485 0.244,487 0.438,493 0.888,494 1.24,495 0.605,496 0.874,497 1.031,498 0.818,499 0.679,500 1.11,501 0.551,502 0.815,503 0.55,504 0.741,505 1.004,506 1.223,507 0.845,508 0.955,509 0.794,510 0.88,511 0.969,512 0.924,513 0.992,514 0.931,515 0.882,516 0.929,517 0.98,518 1.111,519 0.802,520 0.952,521 0.808,522 1.06,523 0.823,524 1.347,525 0.861,526 1.252,527 0.906,528 1.27,529 0.8,530 0.893,531 0.932,532 1.035,533 0.994,534 1.164,535 0.814,536 0.643,537 0.776,538 0.869,539 1.02,540 0.846,541 4.5,543 3.111,544 2.042,545 1.807,546 0.827,547 0.566,548 0.386,549 0.148,550 0.016,551 3654,552 12107,553 2.018,554 40,556 4,558 1,559 3,561 6,564 1.64,565 1.826,566 2.878,567 1.156,569 1,571 1,573 61.309,574 1.752,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.244,581 4.202,582 4.364,583 2.982,584 626.115,585 7.519,586 6413.99,587 1,588 1,589 1,590 1,591 179.525,592 1.545,593 4.289,594 0.196,596 0.092,597 0.057,598 0.055,599 0.03,600 0.022,601 0.023,602 0.015,603 0.005,604 0.493,605 0.33,606 1,607 0.911,608 91.933,609 -0.098,610 -0.037,611 -0.001,612 0.047,613 -0.22,614 0.044,615 0.083,616 0.016,617 0.164,618 0.117,619 0.109,620 0.171,621 -0.038,622 -0.144,623 0.034,624 -0.025,625 0.075,626 0.022,627 -0.047,628 0.12,629 -0.099,630 -0.012,631 -0.042,632 -0.005,633 -0.173,634 -0.025,635 -0.157,636 -0.073,637 -0.071,638 -0.16,639 -0.016,640 -0.285,641 -0.137,642 -0.337,643 -0.06,644 -0.353,645 0.125,646 0.018,647 -0.019,648 -0.088,649 0.022,650 -0.166,651 0.269,652 0.032,653 0.421,654 0.203,655 0.222,656 0.305,657 1.67,658 3.79,659 0.714,660 13.56,661 1.017,662 1.135,663 3.415,664 11.66,665 0.69,666 3.178,667 3.555,668 3.871,669 4.174,670 4.443,671 4.564,672 4.625,673 4.71,674 4.644,675 4.511,676 4.558,677 0.665,678 303.78,679 3.178,680 4.745,681 5.624,682 6.535,683 7.441,684 8.36,685 9.275,686 10.198,687 11.117,688 12.041,689 14.3,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,733 16,734 1,735 23,737 37,738 14,739 11,740 3,741 3,746 3,747 4,748 1,752 2,758 1,761 11,762 3,777 1,778 1,781 14,782 5,783 3,784 7,785 1,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,845 1,848 21,849 1,853 1,858 1,869 1,870 2.9,872 1,877 11.5,878 6.893,879 4.528,880 2.033,881 3.139,882 1.457,883 0.966,884 3.472,885 10.002,886 3.466,887 4.171,888 4.859,889 5.531,890 6.123,891 6.526,892 6.946,893 7.39,894 7.628,895 7.866,896 0.8,897 36,898 7.697,900 3.304,901 7.886,902 14.371,904 11.728,905 2.386,906 50.111,910 129.482,911 70.757,912 84.908,913 39.149,914 42.683,917 70.757,918 211.314,919 84.908,920 17.65,922 61.326,923 106.404,924 22.411,925 2.328,926 117.711,927 39.149,928 129.482,929 155.665,930 42.683,931 39.149,933 58.856,934 113.31,937 32.518,938 72.913,939 89.383,941 129.482,942 127.591,943 109.906,946 129.482,947 16.059,948 56.474,950 164.963,951 129.482,952 127.591,953 109.906,955 0.599,956 0.36,957 0.193,958 0.114,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.144,966 170.795,967 0.133,968 15,969 90.239,974 14.108,975 5.168,976 2.324,977 1.342,978 125.815,979 6.371,980 12.872,984 1.982,985 1.786,986 75.581,987 366.979,988 31,999 35.578,1000 39.721,1001 0.342,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.718,1008 1.062,1009 5.652,1010 3.512,1011 4.234,1012 4.856,1014 6.538,1015 4.116,1016 5.979,1017 0.815,1018 7.266,1019 2.758,1020 4.007,1021 4.856,1023 7.597,1024 3.819,1025 7.325,1026 0.103,1027 8.98,1028 2.05,1029 5.9,1030 7.201,1032 10.742,1033 5.691,1034 8.712,1035 -0.294,1036 10.751,1037 0.227,1038 6.463,1039 8.029,1041 12.635,1042 6.194,1043 10.132,1044 -0.595,1045 12.558,1046 -0.685,1047 7.886,1048 9.879,1050 15.326,1051 7.598,1052 11.577,1053 -0.815,1054 14.391,1055 -1.604,1056 8.796,1057 11.093,1059 17.569,1060 8.461,1061 13.041,1062 -1,1063 16.242,1064 -2,1065 10.054,1066 12.75,1068 20.115,1069 9.694,1070 3.338,1071 -1.062,1072 18.109,1073 -2.268,1074 11.117,1075 14.146,1077 22.504,1078 10.719,1079 2.827,1080 12.086,1081 19.987,1082 -3.043,1083 12.32,1084 15.729,1086 25.007,1087 11.894,1088 2.533,1089 8.977,1090 21.876,1091 4.732,1092 13.453,1093 17.208,1095 27.456,1096 12.992,1097 2.321,1098 8.067,1099 23.773,1100 3.879,1101 14.641,1102 18.765,1104 29.947,1105 14.151,1106 1.743,1107 7.235,1108 25.677,1109 3.214,1110 15.807,1111 20.281,1113 32.421,1114 15.283,1115 1.508,1116 4.818,1117 27.587,1118 3.085,1119 16.995,1120 21.831,1122 34.91,1123 16.439,1124 1.414,1125 4.123,1126 29.503,1127 2.244,1128 18.176,1129 23.366,1131 37.394,1132 17.587,1133 3681,1134 6819,1135 14.74,1136 24.148,1137 35.678,1138 36.155,1139 37.742,1140 35.344,1141 35.327,1142 47.83,1144 107.705,1145 33.049,1146 5.427,1147 5.382,1148 6.567,1149 5.374,1150 5.338,1151 7.732,1153 19.551,1154 5.216,1155 12.257,1156 1.551,1157 1.572,1158 1.641,1159 1.537,1160 1.536,1161 2.08,1163 4.683,1164 1.437,1165 4.132,1166 4.178,1167 4.13,1168 3.996,1169 6.471,1170 4.017,1171 3.84,1172 3.861,1173 3.947,1174 3.745,1175 5.255,1176 3.753,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.892,1182 3.399,1183 3.21,1184 3.287,1185 3.348,1186 3.007,1187 4.81,1188 3.029,1189 3.006,1190 3.112,1191 3.009,1192 2.746,1193 4.519,1194 2.751,1195 2.93,1196 3.009,1197 2.864,1198 2.705,1199 4.247,1200 2.737,1201 2.874,1202 2.97,1203 2.804,1204 2.624,1205 4.021,1206 2.626,1207 2.781,1208 2.83,1209 2.499,1210 2.618,1211 3.676,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.382,1222 7.039,1223 0.525,1224 4.301,1225 0.14,1226 3.338,1227 4.732,1229 12.086,1230 3.216,1231 1.924,1232 1.907,1233 1.98,1234 2.035,1235 1.153,1236 2.015,1237 1.794,1238 1.747,1239 1.942,1240 1.971,1241 1.105,1242 1.965,1243 1.609,1244 1.546,1245 1.764,1246 1.803,1247 0.826,1248 1.805,1249 1.14,1250 1.088,1251 1.417,1252 1.401,1253 0.469,1254 1.37,1255 0.934,1256 0.839,1257 1.247,1258 1.239,1259 0.263,1260 1.308,1261 0.883,1262 0.804,1263 1.15,1264 1.221,1265 0.139,1266 1.203,1267 0.875,1268 0.783,1269 1.108,1270 1.134,1271 0.034,1272 1.13,1273 0.76,1274 0.671,1275 0.989,1276 1.055,1278 1.049,1279 3.85,1281 5.209,1282 2.398,1283 6.767,1284 4.844,1285 8.418,1286 7.081,1287 10.117,1289 4.016,1290 5.848,1293 5.983,1294 9.79,1299 0.122,1305 23.283,1306 61.309,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 33.951,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.867,1321 56,1322 59,1323 0.289,1324 148.692,1325 241.5,1326 354.568,1327 7124,1328 2.9,1329 15.146,1330 0.721,1331 0.587,1332 15.646,1333 12.334,1334 9.986,1335 0.434,1336 0.297,1337 6.399,1338 9.306,1339 6.163,1340 5.141,1341 10.275,1342 6.841,1343 9.485,1344 0.279,1345 0.159,1346 9.855,1347 5.418,1348 8.038,1349 0.171,1350 0.075,1351 8.466,1352 3.546,1353 6.619,1354 0.103,1355 0.036,1356 6.77,1357 2.335,1358 5.55,1359 0.066,1360 0.02,1361 5.745,1362 1.647,1363 0.427,1364 65.812,1365 0.26,1366 20.069,1367 0.881,1368 114,1369 344.246,1370 141.059,1371 368.887,1372 501.13,1373 342,1374 138,1375 362.186,1376 162.982,1377 375.745,1378 553.82,1379 353,1380 6.87}
{0 CHEMBL1241485,1 1.593,2 7.364,3 1.663,4 2.766,5 87.727,6 7.46,7 0.667,8 3.807,9 3.948,10 3.371,11 3.266,12 4.984,13 3.27,14 4.297,15 4.489,16 3.741,17 3.635,18 5.388,19 3.629,20 4.458,21 4.649,22 3.848,23 3.768,24 5.599,25 3.754,26 4.606,27 4.829,28 3.825,29 3.826,30 5.715,31 3.78,32 4.581,33 4.814,34 3.66,35 3.8,36 5.59,37 3.72,38 4.51,39 4.734,40 3.617,41 3.721,42 5.575,43 3.636,44 4.555,45 4.826,46 3.383,47 3.594,48 5.584,49 3.469,50 4.393,51 4.696,52 3.059,53 3.309,54 5.312,55 3.152,56 0.081,57 0.643,58 8.439,59 3.029,60 11.873,61 4.311,62 0.231,63 0.96,64 15.417,65 5.011,66 21.056,67 7.279,68 0.253,69 1.128,70 17.86,71 5.345,72 23.917,73 8.197,74 0.386,75 1.215,76 21.87,77 6.469,78 37.942,79 9.774,80 0.326,81 1.153,82 21.385,83 6.354,84 32.097,85 9.892,86 0.236,87 1.069,88 19.555,89 6.36,90 28.114,91 9.727,92 0.462,93 0.972,94 22.347,95 6.02,96 47.997,97 9.718,98 0.323,99 0.725,100 20.179,101 5.883,102 36.564,103 9.115,104 30,105 35,106 0.282,107 0.677,108 0.788,109 0.827,110 0.827,111 0.827,112 3.148,113 0.869,114 -3.89,115 -3.84,116 -3.65,119 37.5,120 2,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 3,174 2,175 8,177 1,178 1,180 2,183 4,185 2,186 1,187 7,189 1,190 1,192 2,195 3,197 2,198 2,199 8,201 3,202 3,204 2,207 3,209 2,211 1,212 6,217 2,220 2,222 2,223 1,224 4,226 1,227 1,229 4,232 4,234 4,236 2,239 2,240 2,245 2,250 2,252 2,253 2,254 1,257 2,261 1,268 2,273 2,275 610,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.762,282 15.194,283 8.34,284 15.096,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.794,291 13.155,292 3.808,293 12.373,294 3.729,295 1.499,296 0.875,297 0.657,298 0.657,299 0.657,300 3.822,303 1,304 1,305 1,306 340,307 2.828,310 42.346,311 114.652,314 80.972,318 1.091,319 19.705,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48,331 162,332 4.76,333 3.379,334 7.039,335 4.302,336 3.338,337 4.732,338 0.86,339 12.087,340 3.218,341 4.239,342 3.068,343 6.203,344 3.822,345 2.861,346 3.899,348 9.116,349 2.748,350 3.818,351 2.676,352 6.004,353 3.492,354 2.54,355 3.216,357 8.33,358 2.415,359 3.69,360 2.42,361 5.688,362 3.291,363 2.336,364 3.096,366 7.355,367 2.229,368 3.031,369 1.883,370 4.819,371 2.683,372 1.743,373 2.249,375 4.818,376 1.636,377 2.984,378 1.82,379 4.469,380 2.478,381 1.539,382 2.127,384 4.123,385 1.438,386 2.881,387 1.521,388 4.202,389 2.446,390 1.503,391 2.018,393 3.827,394 1.413,395 2.521,396 1.07,397 3.861,398 2.008,399 1.062,400 1.531,402 2.759,403 1.002,404 2.127,405 0.94,406 3.491,407 1.778,408 0.815,409 1.033,411 2.05,412 0.783,413 1.718,414 0.851,415 2.879,416 1.413,417 0.525,418 0.608,420 0.884,421 0.461,422 1.125,423 0.157,424 2.693,425 0.799,426 -0.132,427 -0.157,428 -0.255,429 -0.122,430 1.047,431 -0.164,432 2.425,433 0.602,434 -0.309,435 -0.396,436 -0.707,437 -0.281,438 0.648,439 -0.554,440 2.257,441 0.18,442 -0.759,443 -1,445 -2,446 -0.706,447 0.577,448 -0.766,449 2.199,450 0.106,451 -0.849,452 -1.002,454 -2.058,455 -0.799,456 0.215,457 -0.948,458 2,460 -1,461 -1.141,463 -2.325,464 -1,465 10.233,466 0.465,467 0.648,468 0.029,469 30.25,470 1.375,471 15.5,472 0.705,473 14.75,474 0.67,475 16.472,476 0.749,477 23.967,478 0.599,479 21.694,480 0.986,481 5.939,482 0.27,483 4.585,484 0.208,485 0.225,487 0.43,493 0.989,494 1.328,495 0.814,496 1.089,497 1.233,498 0.94,499 1.041,500 1.068,501 0.69,502 0.833,503 0.697,504 0.733,505 1.051,506 1.29,507 0.884,508 1.025,509 0.8,510 0.934,511 1.075,512 1.01,513 0.997,514 0.979,515 1.012,516 0.977,517 1.035,518 1.073,519 1.143,520 1.068,521 0.999,522 1.104,523 0.784,524 1.299,525 1.055,526 1.314,527 0.901,528 1.241,529 0.929,530 0.916,531 1.175,532 1.068,533 1.289,534 1.139,535 0.909,536 0.837,537 0.903,538 1.004,539 0.55,540 0.978,541 4.5,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.458,549 0.209,550 0.031,551 4137,552 11266,553 2.017,554 45,556 7,558 1,559 4,561 6,564 1.653,565 1.833,566 2.92,567 1.914,568 1,569 1,571 1,573 63.705,574 1.593,575 3.823,576 4.446,577 4.665,578 4.665,579 4.665,580 2.244,581 4.096,582 4.431,583 3.037,584 701.588,585 7.655,586 7470.94,587 1,588 1,590 1,591 212.877,592 1.544,593 4.36,594 0.188,596 0.089,597 0.057,598 0.051,599 0.03,600 0.02,601 0.023,602 0.015,603 0.005,604 0.478,605 0.5,606 1,607 1.003,608 98.25,609 -0.066,610 -0.066,611 0.039,612 -0.016,613 -0.253,614 0.027,615 0.03,616 0.042,617 0.24,618 0.197,619 0.124,620 0.239,621 -0.042,622 -0.145,623 0.033,624 -0.026,625 0.074,626 0.013,627 -0.032,628 0.06,629 -0.046,630 -0.009,631 -0.025,632 -0.032,633 -0.153,634 -0.019,635 -0.208,636 -0.081,637 -0.143,638 -0.137,639 0.037,640 -0.26,641 -0.131,642 -0.294,643 0.011,644 -0.248,645 0.069,646 0.025,647 -0.179,648 -0.138,649 -0.167,650 -0.185,651 0.126,652 -0.057,653 0.141,654 -0.041,655 0.359,656 0.033,657 1.261,658 2.048,659 0.682,660 14.818,661 1.006,662 1.142,663 2.656,664 7.052,665 0.651,666 3.219,667 3.584,668 3.912,669 4.22,670 4.477,671 4.605,672 4.682,673 4.787,674 4.745,675 4.635,676 4.745,677 0.625,678 298.39,679 3.219,680 4.779,681 5.659,682 6.569,683 7.476,684 8.394,685 9.31,686 10.232,687 11.151,688 12.075,689 15,693 2,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 2,729 1,731 40,733 16,734 1,735 24,737 42,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 4,777 1,778 1,781 18,782 6,783 4,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 22,849 2,856 1,858 1,870 2.5,875 1,877 12,878 8.05,879 4.861,880 2.239,881 3.155,882 1.453,883 0.985,884 3.726,885 10.117,886 3.497,887 4.186,888 4.882,889 5.555,890 6.142,891 6.55,892 6.98,893 7.429,894 7.679,895 7.931,896 0.8,897 38,898 8.053,900 3.372,901 7.75,902 15.212,904 12.209,905 2.25,906 49.5,910 164.795,911 86.139,912 117.805,914 11,917 86.139,918 175.795,919 117.805,920 28.533,922 94.223,923 63.72,924 37.911,925 2.328,926 153.024,928 164.795,929 203.945,930 11,933 94.169,934 81.626,937 32.518,938 121.193,939 50.234,941 164.795,942 128.805,943 86.139,946 164.795,947 20.559,948 67.357,950 127.028,951 164.795,952 128.805,953 86.139,955 0.59,956 0.363,957 0.201,958 0.114,959 18,960 9,961 0.071,962 3,963 1,964 1.133,965 3.227,966 181.529,967 0.133,968 15,969 96.107,974 14.755,975 5.555,976 2.44,977 1.455,978 127.028,979 6.963,980 13.069,984 3.156,985 1.839,986 65.794,987 379.74,988 32,999 40.24,1000 45.69,1001 0.299,1002 0.718,1003 0.835,1004 0.877,1005 0.877,1006 0.877,1007 4.745,1008 1.062,1009 5.68,1010 3.827,1011 4.263,1012 4.871,1013 0.908,1014 6.567,1015 4.168,1016 5.996,1017 0.815,1018 7.292,1019 2.759,1020 4.007,1021 4.856,1023 7.633,1024 3.883,1025 7.34,1026 0.525,1027 9.006,1028 2.05,1029 5.927,1030 7.211,1031 0.739,1032 10.774,1033 5.755,1034 8.726,1035 -0.132,1036 10.777,1037 0.884,1038 6.479,1039 8.036,1041 12.671,1042 6.275,1043 10.146,1044 -0.309,1045 12.584,1046 -0.255,1047 7.912,1048 9.887,1049 0.593,1050 15.356,1051 7.671,1052 11.591,1053 -0.759,1054 14.417,1055 -0.707,1056 8.817,1057 11.101,1059 17.597,1060 8.541,1061 13.055,1062 -0.849,1063 16.269,1064 -2,1065 10.077,1066 12.758,1067 0.469,1068 20.138,1069 9.767,1070 3.338,1071 -1,1072 18.136,1073 -2.058,1074 11.14,1075 14.153,1077 22.524,1078 10.793,1079 2.861,1080 12.087,1081 20.014,1082 -2.325,1083 12.342,1084 15.735,1085 0.366,1086 25.022,1087 11.962,1088 2.54,1089 9.116,1090 21.902,1091 4.732,1092 13.474,1093 17.214,1095 27.469,1096 13.058,1097 2.336,1098 8.33,1099 23.798,1100 3.899,1101 14.662,1102 18.77,1103 0.283,1104 29.958,1105 14.211,1106 1.743,1107 7.355,1108 25.701,1109 3.216,1110 15.826,1111 20.287,1113 32.429,1114 15.34,1115 1.539,1116 4.818,1117 27.611,1118 3.096,1119 17.013,1120 21.835,1121 0.217,1122 34.917,1123 16.492,1124 1.503,1125 4.123,1126 29.525,1127 2.249,1128 18.194,1129 23.37,1131 37.4,1132 17.637,1133 4176,1134 7006,1135 15.433,1136 26.057,1137 36.872,1138 36.89,1139 39.052,1140 36.511,1141 36.523,1142 49.016,1143 1.72,1144 110.7,1145 34.686,1146 5.44,1147 5.379,1148 6.567,1149 5.375,1150 5.338,1151 7.732,1152 1.72,1153 19.553,1154 5.218,1155 12.753,1156 1.536,1157 1.537,1158 1.627,1159 1.521,1160 1.522,1161 2.042,1162 0.072,1163 4.612,1164 1.445,1165 4.133,1166 4.18,1167 4.116,1168 3.995,1169 5.26,1170 4.018,1171 3.857,1172 3.889,1173 3.81,1174 3.74,1175 5.121,1176 3.755,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 4.864,1182 3.399,1183 3.28,1184 3.346,1185 3.171,1186 3.033,1187 4.643,1188 3.062,1189 3.189,1190 3.277,1191 3.022,1192 2.931,1193 4.512,1194 2.941,1195 3.021,1196 3.137,1197 2.892,1198 2.712,1199 4.282,1200 2.748,1201 2.912,1202 3.028,1203 2.765,1204 2.644,1205 4.036,1206 2.66,1207 2.874,1208 3.009,1209 2.571,1210 2.618,1211 3.683,1212 2.599,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 3.379,1221 0.036,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1228 0.86,1229 12.087,1230 3.218,1231 1.931,1232 1.911,1233 2.003,1234 2.042,1235 1.154,1236 2.026,1237 1.798,1238 1.75,1239 1.945,1240 1.993,1241 1.115,1242 1.977,1243 1.613,1244 1.549,1245 1.776,1246 1.819,1247 0.834,1248 1.817,1249 1.221,1250 1.157,1251 1.571,1252 1.521,1253 0.574,1254 1.536,1255 1.14,1256 1.063,1257 1.417,1258 1.426,1259 0.469,1260 1.408,1261 0.934,1262 0.807,1263 1.318,1264 1.29,1265 0.277,1266 1.308,1267 0.912,1268 0.804,1269 1.196,1270 1.239,1271 0.144,1272 1.278,1273 0.797,1274 0.725,1275 1.098,1276 1.131,1277 0.037,1278 1.114,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 5.661,1293 11.922,1297 5.282,1299 0.154,1305 25.004,1306 63.705,1307 152.903,1308 177.858,1309 186.612,1310 186.612,1311 186.612,1312 31.893,1313 6.961,1314 104.87,1315 104.87,1316 17,1317 12.582,1318 4.087,1319 3.17,1320 34.146,1321 61,1322 62,1323 0.282,1324 156.746,1325 254.59,1326 374.219,1327 8101,1329 15.853,1330 0.721,1331 0.579,1332 15.853,1333 12.739,1334 10.524,1335 0.439,1336 0.29,1337 6.821,1338 10.012,1339 6.563,1340 5.529,1341 10.524,1342 6.951,1343 9.676,1344 0.276,1345 0.151,1346 9.676,1347 5.301,1348 8.326,1349 0.17,1350 0.072,1351 8.326,1352 3.514,1353 7.05,1354 0.105,1355 0.036,1356 7.05,1357 2.416,1358 5.768,1359 0.066,1360 0.019,1361 5.768,1362 1.645,1363 0.419,1364 66.691,1365 0.255,1366 20.946,1367 0.853,1368 118,1369 342.94,1370 131.342,1371 335.277,1372 470.47,1373 314,1374 143,1375 365.684,1376 157.674,1377 371.322,1378 544.95,1379 347,1380 5.824}
{0 CHEMBL1241486,1 1.592,2 9.5,3 2.057,4 4.229,5 103.931,6 7.13,7 0.571,8 4.013,9 4.151,10 3.53,11 3.45,12 5.144,13 3.445,14 4.532,15 4.73,16 3.888,17 3.821,18 5.576,19 3.802,20 4.732,21 4.946,22 4.008,23 3.975,24 5.808,25 3.943,26 4.867,27 5.099,28 4.019,29 4.057,30 5.922,31 4,32 4.844,33 5.062,34 3.943,35 4.075,36 5.849,37 3.997,38 4.869,39 5.084,40 3.893,41 4.037,42 5.943,43 3.943,44 4.897,45 5.173,46 3.641,47 3.913,48 5.863,49 3.77,50 4.737,51 5.043,52 3.437,53 3.663,54 5.582,55 3.517,56 0.09,57 0.765,58 11.261,59 4.007,60 14.412,61 5.817,62 0.289,63 1.158,64 20.582,65 6.347,66 31.128,67 9.593,68 0.396,69 1.379,70 25.426,71 7.103,72 34.743,73 11.439,74 0.493,75 1.487,76 29.824,77 8.8,78 51.973,79 13.493,80 0.356,81 1.467,82 28.377,83 8.934,84 36.084,85 13.704,86 0.474,87 1.419,88 29.523,89 9.448,90 51.817,91 14.19,92 0.566,93 1.296,94 32.013,95 9.051,96 63.282,97 14.512,98 0.443,99 1.014,100 28.25,101 7.986,102 45.552,103 12.644,104 48,105 40,106 0.269,107 0.65,108 0.79,109 0.822,110 0.85,111 0.85,112 3.305,113 0.911,114 -3.87,115 -3.83,116 -3.63,119 36,120 3,124 1,125 1,127 2,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 8,177 1,178 1,180 3,183 4,185 1,186 1,187 7,190 1,191 1,192 3,195 3,198 2,199 8,201 3,202 3,204 2,207 4,209 1,211 1,212 7,217 3,220 4,222 2,223 1,224 4,227 2,229 6,232 5,234 3,236 2,239 1,240 2,242 1,245 2,250 3,253 2,254 1,257 1,258 1,263 1,266 1,268 3,275 962,276 17.378,277 17.378,278 17.378,279 17.378,280 17.378,281 15.547,282 20.828,283 9.992,284 17.897,285 13.659,286 13.659,287 13.659,288 13.659,289 13.659,290 10.737,291 24.881,292 4.533,293 14.418,294 4.052,295 1.805,296 0.976,297 0.786,298 0.62,299 0.62,300 3.981,303 1,304 1,305 1,306 517,307 3.606,310 55.938,311 148.651,314 106.01,318 1.615,319 24.731,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 57,331 247,332 4.76,333 3.38,334 7.039,335 4.302,336 3.339,337 4.732,338 0.86,339 12.088,340 3.219,341 4.271,342 3.131,343 6.251,344 3.873,345 2.915,346 3.92,347 0.4,348 9.387,349 2.789,350 3.827,351 2.687,352 6.074,353 3.516,354 2.561,355 3.221,357 8.582,358 2.44,359 3.718,360 2.535,361 5.716,362 3.357,363 2.4,364 3.119,366 7.476,367 2.293,368 3.273,369 2.392,370 5.001,371 3.135,372 2.186,373 2.348,375 5.862,376 2.07,377 3.029,378 1.857,379 4.819,380 2.683,381 1.743,382 2.214,384 4.818,385 1.636,386 2.98,387 1.818,388 4.474,389 2.475,390 1.535,391 2.126,393 4.152,394 1.436,395 2.848,396 1.528,397 4.264,398 2.442,399 1.498,400 1.958,402 3.899,403 1.41,404 2.52,405 1.1,406 3.862,407 2.011,408 1.065,409 1.529,411 2.763,412 1.004,413 2.128,414 0.984,415 3.492,416 1.783,417 0.821,418 1.035,420 2.06,421 0.788,422 1.758,423 0.937,424 3.051,425 1.465,426 0.566,427 0.656,428 1.052,429 0.503,430 1.405,431 0.841,432 2.709,433 1.213,434 0.353,435 0.365,436 0.48,437 0.3,438 1.097,439 0.203,440 2.616,441 0.829,442 -0.095,443 -0.107,445 -0.176,446 -0.087,447 1.044,448 -0.161,449 2.424,450 0.611,451 -0.301,452 -0.383,454 -0.696,455 -0.274,456 0.662,457 -0.502,458 2.257,459 0.248,460 -0.709,461 -0.88,463 -1.938,464 -0.675,465 12.067,466 0.464,467 0.716,468 0.028,469 32.75,470 1.26,471 15.5,472 0.596,473 17.25,474 0.663,475 22.978,476 0.884,477 29.333,478 0.587,479 25.184,480 0.969,481 6.381,482 0.245,483 6.075,484 0.234,485 0.227,487 0.406,493 0.985,494 1.441,495 0.863,496 1.191,497 1.097,498 1.03,499 1.061,500 1.153,501 0.786,502 0.908,503 0.849,504 0.821,505 0.984,506 1.18,507 0.903,508 0.954,509 0.745,510 0.906,511 1.053,512 0.949,513 0.939,514 0.906,515 1.042,516 0.904,517 0.988,518 1.146,519 1.099,520 1.157,521 0.747,522 1.139,523 0.998,524 1.274,525 1.144,526 1.316,527 0.942,528 1.275,529 0.87,530 0.97,531 1.094,532 1.093,533 1.074,534 1.124,535 0.884,536 0.825,537 0.8,538 0.865,539 0.769,540 0.838,541 5.5,542 0.14,543 3.333,544 2.292,545 2.207,546 1.118,547 0.707,548 0.517,549 0.265,550 0.211,551 6789,552 18174,553 1.992,554 48,556 10,558 1,559 4,561 9,564 1.696,565 1.814,566 3.211,567 1.773,568 1,569 1,573 79.585,574 1.592,575 3.839,576 4.668,577 4.858,578 5.023,579 5.023,580 2.738,581 4.547,582 4.669,583 3.379,584 1098.33,585 8.119,586 13299,588 1,590 1,591 282.193,592 1.549,593 4.601,594 0.196,595 0.01,596 0.083,597 0.052,598 0.05,599 0.028,600 0.02,601 0.02,602 0.012,603 0.012,604 0.483,605 0.17,606 1,607 1.39,608 125.173,609 -0.065,610 -0.133,611 0.037,612 -0.044,613 -0.181,614 0.005,615 -0.024,616 -0.013,617 0.17,618 0.14,619 0.012,620 0.174,621 -0.01,622 -0.037,623 0.056,624 0.049,625 0.053,626 0.065,627 -0.043,628 0.119,629 0.032,630 0.092,631 -0.054,632 0.073,633 -0.113,634 -0.039,635 -0.162,636 -0.112,637 -0.05,638 -0.134,639 0.024,640 -0.228,641 -0.19,642 -0.265,643 0.004,644 -0.268,645 0.048,646 -0.034,647 -0.113,648 -0.134,649 -0.101,650 -0.148,651 0.08,652 -0.017,653 0.209,654 0.077,655 0.104,656 0.147,657 1.47,658 3.252,659 0.577,660 22.615,661 1.004,662 1.143,663 2.637,664 6.956,665 0.636,666 3.367,667 3.714,668 4.025,669 4.331,670 4.595,671 4.727,672 4.828,673 4.963,674 4.997,675 5.024,676 5.756,677 0.606,678 356.48,679 3.367,680 4.92,681 5.79,682 6.693,683 7.592,684 8.506,685 9.416,686 10.334,687 11.249,688 12.17,689 12,693 1,694 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,724 1,729 1,731 50,733 16,734 1,735 28,737 52,738 18,739 11,740 3,741 3,746 3,747 4,752 4,758 2,761 11,762 7,777 1,778 1,781 24,782 7,783 4,784 8,790 6,794 0.667,795 2,796 1,803 1,806 1,811 1,812 2,815 1,838 1,840 2,844 4,848 26,849 1,853 1,854 1,855 1,856 1,858 2,870 4,871 1,875 1,877 14.333,878 10,879 5.861,880 2.901,881 3.166,882 1.434,883 0.933,884 5.416,885 10.455,886 3.611,887 4.259,888 4.934,889 5.604,890 6.191,891 6.605,892 7.05,893 7.509,894 7.797,895 8.107,896 1,897 44,898 9.559,900 3.969,901 7.763,902 18.142,904 14.512,905 2.263,906 58.833,910 235.422,911 94.965,912 102.919,914 53.683,917 94.965,918 289.105,919 102.919,920 37.359,922 104.009,923 81.731,924 37.911,925 2.328,926 223.651,928 235.422,929 197.883,930 53.683,933 129.482,934 116.94,935 42.683,937 41.343,938 88.296,939 68.245,941 235.422,942 156.602,943 94.965,946 235.422,947 20.559,948 76.183,949 18.011,950 136.814,951 235.422,952 156.602,953 94.965,955 0.582,956 0.353,957 0.194,958 0.114,959 19,960 10,961 0.115,962 6,963 1,964 1.133,965 3.574,966 223.858,967 0.133,968 15,969 120.211,974 18.579,975 7.579,976 3.543,977 1.435,978 154.825,979 7.186,980 13.197,984 3.425,985 1.842,986 93.591,987 486.989,988 36,999 50.218,1000 57.145,1001 0.282,1002 0.68,1003 0.827,1004 0.861,1005 0.89,1006 0.89,1007 4.86,1008 1.498,1009 5.802,1010 4.152,1011 4.394,1012 4.945,1013 1.029,1014 6.673,1015 4.296,1016 6.091,1017 1.065,1018 7.403,1019 3.899,1020 4.111,1021 4.902,1023 7.716,1024 3.989,1025 7.424,1026 0.821,1027 9.105,1028 2.763,1029 6.043,1030 7.247,1031 0.763,1032 10.851,1033 5.863,1034 8.798,1035 0.566,1036 10.865,1037 2.06,1038 6.567,1039 8.059,1041 12.731,1042 6.36,1043 10.208,1044 0.353,1045 12.663,1046 1.052,1047 8.003,1048 9.906,1049 0.597,1050 15.411,1051 7.753,1052 11.644,1053 -0.095,1054 14.488,1055 0.48,1056 8.889,1057 11.115,1059 17.642,1060 8.606,1061 13.102,1062 -0.301,1063 16.333,1064 -0.176,1065 10.149,1066 12.77,1067 0.47,1068 20.178,1069 9.828,1070 3.339,1071 -0.709,1072 18.193,1073 -0.696,1074 11.199,1075 14.164,1077 22.557,1078 10.844,1079 2.915,1080 12.088,1081 20.066,1082 -1.938,1083 12.399,1084 15.744,1085 0.367,1086 25.051,1087 12.009,1088 2.561,1089 9.387,1090 21.95,1091 4.732,1092 13.524,1093 17.222,1095 27.492,1096 13.099,1097 2.4,1098 8.582,1099 23.842,1100 3.92,1101 14.709,1102 18.777,1103 0.283,1104 29.977,1105 14.249,1106 2.186,1107 7.476,1108 25.742,1109 3.221,1110 15.868,1111 20.293,1113 32.445,1114 15.374,1115 1.743,1116 5.862,1117 27.648,1118 3.119,1119 17.052,1120 21.841,1121 0.217,1122 34.93,1123 16.523,1124 1.535,1125 4.818,1126 29.56,1127 2.348,1128 18.229,1129 23.375,1131 37.411,1132 17.665,1133 6856,1134 11333,1135 17.918,1136 31.796,1137 42.183,1138 42.907,1139 45.232,1140 41.88,1141 41.962,1142 54.445,1143 2.52,1144 125.237,1145 39.777,1146 5.571,1147 5.38,1148 6.591,1149 5.375,1150 5.339,1151 7.732,1152 1.72,1153 19.555,1154 5.219,1155 15.994,1156 1.507,1157 1.532,1158 1.615,1159 1.496,1160 1.499,1161 1.944,1162 0.09,1163 4.473,1164 1.421,1165 4.136,1166 4.182,1167 4.118,1168 3.998,1169 6.456,1170 4.02,1171 3.88,1172 3.917,1173 3.831,1174 3.753,1175 5.257,1176 3.77,1177 3.613,1178 3.674,1179 3.47,1180 3.444,1181 4.906,1182 3.439,1183 3.574,1184 3.649,1185 3.445,1186 3.399,1187 4.805,1188 3.395,1189 3.274,1190 3.338,1191 3.149,1192 3.015,1193 4.513,1194 3.041,1195 3.166,1196 3.253,1197 3.011,1198 2.921,1199 4.362,1200 2.932,1201 3.005,1202 3.112,1203 2.881,1204 2.698,1205 4.168,1206 2.735,1207 2.964,1208 3.053,1209 2.741,1210 2.639,1211 4.028,1212 2.641,1213 0.17,1214 0.121,1215 0.251,1216 0.154,1217 0.119,1218 4.76,1219 0.169,1220 3.38,1221 0.031,1222 7.039,1223 0.432,1224 4.302,1225 0.115,1226 3.339,1227 4.732,1228 0.86,1229 12.088,1230 3.219,1231 1.938,1232 1.917,1233 2.016,1234 2.048,1235 1.18,1236 2.036,1237 1.803,1238 1.755,1239 1.947,1240 2.005,1241 1.144,1242 1.984,1243 1.639,1244 1.573,1245 1.859,1246 1.853,1247 1.063,1248 1.856,1249 1.569,1250 1.507,1251 1.762,1252 1.771,1253 0.833,1254 1.781,1255 1.215,1256 1.15,1257 1.571,1258 1.521,1259 0.574,1260 1.535,1261 1.113,1262 1.041,1263 1.417,1264 1.389,1265 0.469,1266 1.366,1267 0.934,1268 0.829,1269 1.358,1270 1.292,1271 0.439,1272 1.313,1273 0.928,1274 0.804,1275 1.261,1276 1.239,1277 0.296,1278 1.308,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.844,1285 8.554,1286 7.081,1287 10.242,1289 7.58,1293 6.116,1294 9.252,1295 0.03,1296 3.212,1297 5.508,1299 0.05,1305 30.299,1306 79.585,1307 191.928,1308 233.399,1309 242.909,1310 251.173,1311 251.173,1312 46.08,1313 7.29,1314 111.11,1315 111.11,1316 17,1317 12.679,1318 4.087,1319 3.17,1320 44.138,1321 89,1322 102,1323 0.251,1324 189.519,1325 315.28,1326 454.186,1327 12475,1329 18.845,1330 0.725,1331 0.592,1332 18.845,1333 15.393,1334 12.456,1335 0.445,1336 0.304,1337 8.343,1338 11.829,1339 8.019,1340 6.755,1341 12.456,1342 8.503,1343 11.207,1344 0.28,1345 0.162,1346 11.207,1347 6.487,1348 9.506,1349 0.173,1350 0.076,1351 9.506,1352 4.158,1353 7.887,1354 0.105,1355 0.038,1356 7.887,1357 2.826,1358 6.618,1359 0.068,1360 0.02,1361 6.618,1362 1.959,1363 0.382,1364 79.109,1365 0.236,1366 24.592,1367 0.721,1368 136,1369 398.111,1370 151.808,1371 383.189,1372 532.27,1373 360,1374 163,1375 403.325,1376 180.058,1377 408.314,1378 599.94,1379 382,1380 5.469}
{0 CHEMBL1241487,1 1.588,2 7.87,3 2.088,4 4.359,5 90.204,6 7.571,7 0.615,8 3.85,9 3.987,10 3.427,11 3.351,12 5.002,13 3.351,14 4.365,15 4.539,16 3.822,17 3.78,18 5.437,19 3.753,20 4.641,21 4.866,22 3.872,23 3.865,24 5.72,25 3.816,26 4.654,27 4.899,28 3.846,29 3.823,30 5.748,31 3.782,32 4.546,33 4.769,34 3.75,35 3.808,36 5.595,37 3.755,38 4.492,39 4.689,40 3.717,41 3.788,42 5.599,43 3.728,44 4.585,45 4.827,46 3.558,47 3.726,48 5.697,49 3.617,50 4.523,51 4.818,52 3.098,53 3.481,54 5.501,55 3.306,56 0.099,57 0.682,58 8.56,59 3.244,60 13.989,61 4.436,62 0.153,63 1.085,64 15.215,65 5.862,66 17.502,67 8.265,68 0.279,69 1.267,70 22.329,71 6.979,72 38.894,73 10.616,74 0.446,75 1.252,76 23.707,77 6.528,78 48.047,79 9.964,80 0.314,81 1.17,82 20.162,83 5.996,84 34.212,85 9.11,86 0.249,87 1.133,88 18.117,89 6.042,90 27.753,91 8.84,92 0.387,93 1.1,94 21.73,95 6.817,96 53.31,97 10.35,98 0.385,99 0.877,100 22.684,101 6.796,102 55.843,103 10.259,104 10,105 38,106 0.279,107 0.678,108 0.765,109 0.837,110 0.837,111 0.837,112 3.19,113 0.891,114 -4.65,115 -4.57,116 -4.29,119 39,121 4,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 6,174 2,175 7,177 1,178 1,180 3,183 6,185 2,186 1,187 7,191 1,192 4,194 1,195 3,197 2,198 2,199 9,201 3,202 3,204 3,207 3,209 2,212 7,215 1,217 3,220 4,222 2,224 4,226 1,227 2,229 4,232 6,234 4,237 2,239 1,240 3,241 1,242 2,244 1,245 6,247 2,252 2,253 2,254 1,255 2,257 2,258 2,261 1,268 4,273 2,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 13.037,283 9.039,284 15.932,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 9.869,292 4.272,293 13.336,294 3.77,295 1.495,296 0.994,297 0.585,298 0.585,299 0.585,300 3.884,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 23.841,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 181,332 4.763,333 3.39,334 7.05,335 4.311,336 3.347,337 4.733,339 12.146,340 3.226,341 4.218,342 2.984,343 6.261,344 3.812,345 2.843,346 3.88,348 9.314,349 2.75,350 3.878,351 2.769,352 5.971,353 3.616,354 2.651,355 3.243,357 8.322,358 2.558,359 3.68,360 2.396,361 5.68,362 3.284,363 2.324,364 3.086,366 7.318,367 2.227,368 3.239,369 2.037,370 5.078,371 2.948,372 1.994,373 2.365,375 5.689,376 1.898,377 2.996,378 1.633,379 4.469,380 2.452,381 1.513,382 2.231,384 4.136,385 1.417,386 2.82,387 1.526,388 4.235,389 2.378,390 1.414,391 1.948,393 3.533,394 1.356,395 2.638,396 1.406,397 4.038,398 2.306,399 1.342,400 1.684,402 3.509,403 1.29,404 2.442,405 1.055,406 3.662,407 1.975,408 1.035,409 1.423,411 2.565,412 0.971,413 1.857,414 0.706,415 3.249,416 1.661,417 0.683,418 0.784,420 1.743,421 0.667,422 1.618,423 0.618,424 3,425 1.618,426 0.618,427 0.618,428 1.372,429 0.618,430 1.371,431 0.365,432 2.736,433 1.037,434 0.103,435 0.124,436 0.227,437 0.095,438 1.057,439 -0.148,440 2.462,441 0.62,442 -0.292,443 -0.371,445 -0.683,446 -0.266,447 0.781,448 -0.405,449 2.375,450 0.355,451 -0.595,452 -0.769,454 -1.604,455 -0.559,456 0.626,457 -0.733,458 2.333,459 0.142,460 -0.795,461 -1.041,463 -2.197,464 -0.741,465 10.733,466 0.467,467 0.61,468 0.027,469 31,470 1.348,471 15.5,472 0.674,473 15.5,474 0.674,475 17.647,476 0.767,477 24.667,478 0.602,479 21.444,480 0.932,481 5.67,482 0.247,483 5.478,484 0.238,485 0.106,487 0.41,493 1.023,494 1.179,495 0.814,496 0.935,497 1.104,498 0.853,499 0.648,500 1.204,501 0.765,502 1.093,503 0.506,504 0.971,505 0.871,506 1.267,507 0.866,508 1.086,509 0.664,510 0.99,511 1.137,512 0.876,513 0.911,514 0.778,515 1.045,516 0.799,517 1.094,518 1.05,519 1.049,520 0.939,521 0.813,522 0.965,523 0.976,524 1.231,525 1.162,526 1.248,527 0.974,528 1.229,529 0.807,530 1.11,531 1.164,532 1.245,533 0.919,534 1.257,535 1.043,536 0.77,537 1.141,538 1.054,539 1.165,540 1.115,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 13091,553 2.141,554 43.9,555 4,556 4,558 1,559 5,561 4,564 1.666,565 2,566 2.981,567 2.718,568 1,569 1,571 1,573 65.091,574 1.588,575 3.863,576 4.364,577 4.772,578 4.772,579 4.772,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,590 1,591 219.66,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.17,606 1,607 0.58,608 104.348,609 -0.119,610 0.061,611 0.019,612 0.119,613 -0.172,614 0.095,615 0.105,616 -0.057,617 0.096,618 -0.038,619 0.122,620 0.014,621 0.046,622 -0.244,623 0.08,624 -0.099,625 0.155,626 -0.019,627 -0.031,628 0.141,629 0.081,630 0.146,631 -0.049,632 0.132,633 -0.156,634 0.021,635 -0.113,636 0.028,637 -0.053,638 -0.019,639 -0.084,640 -0.122,641 -0.265,642 -0.251,643 -0.11,644 -0.278,645 0.121,646 -0.126,647 -0.203,648 -0.269,649 0.063,650 -0.285,651 -0.012,652 0.057,653 -0.099,654 -0.091,655 -0.018,656 -0.109,657 1.638,658 3.899,659 0.87,660 16.378,661 1.006,662 1.139,663 3.416,664 11.669,665 0.66,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.634,678 310.4,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 14.6,693 2,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 2,728 1,731 41,733 16,734 1,735 26,737 44,738 16,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 5,777 1,778 1,781 18,782 6,783 5,784 7,790 6,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,848 23,849 2,853 1,854 4,858 1,870 2.4,872 1,877 11.5,878 7.083,879 4.944,880 2.497,881 3.077,882 1.423,883 1.009,884 3.435,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.484,900 3.741,901 7.761,902 16.23,904 13.922,905 2.261,906 52,910 153.024,911 62.501,912 117.805,914 42.683,917 62.501,918 195.708,919 117.805,921 10.138,922 94.223,923 106.404,924 21.667,925 2.328,926 141.253,928 153.024,929 180.306,930 42.683,933 105.94,934 89.768,937 25.005,938 105.066,939 50.234,941 153.024,942 160.488,943 62.501,946 153.024,947 25.453,948 38.824,950 158.712,951 153.024,952 160.488,953 62.501,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.045,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 100.042,974 14.425,975 5.477,976 2.347,977 1.472,978 158.712,979 6.547,980 13.25,984 2.185,985 1.961,986 108.478,987 376.013,988 34,999 41.24,1000 46.69,1001 0.296,1002 0.721,1003 0.814,1004 0.891,1005 0.891,1006 0.891,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1014 6.629,1015 4.267,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.883,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1032 10.82,1033 5.847,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.317,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1050 15.401,1051 7.747,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.594,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1068 20.188,1069 9.832,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.846,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1086 25.08,1087 12.019,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.109,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1104 30.022,1105 14.263,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.388,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1122 34.989,1123 16.54,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.684,1133 4917,1134 7969,1135 17.512,1136 27.057,1137 39.656,1138 39.867,1139 41.079,1140 39.814,1141 39.736,1142 52.237,1144 119.749,1145 38.148,1146 5.665,1147 5.39,1148 6.646,1149 5.386,1150 5.347,1151 7.733,1153 19.683,1154 5.226,1155 10.157,1156 1.525,1157 1.533,1158 1.58,1159 1.531,1160 1.528,1161 2.009,1163 4.606,1164 1.467,1165 4.145,1166 4.193,1167 4.124,1168 4.005,1169 6.47,1170 4.027,1171 3.869,1172 3.905,1173 3.809,1174 3.77,1175 5.255,1176 3.773,1177 3.777,1178 3.832,1179 3.662,1180 3.653,1181 5.059,1182 3.652,1183 3.294,1184 3.384,1185 3.231,1186 3.03,1187 4.861,1188 3.07,1189 3.079,1190 3.172,1191 2.982,1192 2.845,1193 4.544,1194 2.868,1195 2.932,1196 3.048,1197 2.804,1198 2.746,1199 4.342,1200 2.748,1201 2.927,1202 2.979,1203 2.775,1204 2.671,1205 4.145,1206 2.661,1207 2.869,1208 2.971,1209 2.583,1210 2.638,1211 3.69,1212 2.635,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.39,1222 7.05,1223 0.467,1224 4.311,1225 0.124,1226 3.347,1227 4.733,1229 12.146,1230 3.226,1231 1.929,1232 1.909,1233 2,1234 2.037,1235 1.243,1236 2.022,1237 1.79,1238 1.745,1239 1.891,1240 1.98,1241 1.211,1242 1.956,1243 1.589,1244 1.531,1245 1.86,1246 1.786,1247 1.115,1248 1.793,1249 1.577,1250 1.507,1251 1.75,1252 1.751,1253 0.839,1254 1.78,1255 1.168,1256 1.107,1257 1.316,1258 1.421,1259 0.294,1260 1.402,1261 0.911,1262 0.839,1263 1.195,1264 1.287,1265 0.148,1266 1.275,1267 0.883,1268 0.808,1269 1.139,1270 1.151,1271 0.094,1272 1.132,1273 0.77,1274 0.69,1275 1.016,1276 1.12,1277 0.09,1278 1.11,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1293 11.772,1294 9.899,1295 4.579,1299 0.336,1305 26.004,1306 65.091,1307 158.375,1308 178.905,1309 195.66,1310 195.66,1311 195.66,1312 35.145,1313 7.274,1314 115.87,1315 115.87,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 158.945,1325 259.53,1326 379.585,1327 12138,1329 15.974,1330 0.695,1331 0.548,1332 15.974,1333 12.606,1334 11.148,1335 0.429,1336 0.297,1337 7.621,1338 10.73,1339 7.509,1340 6.197,1341 11.148,1342 7.725,1343 10.285,1344 0.271,1345 0.157,1346 10.285,1347 5.963,1348 9.187,1349 0.17,1350 0.083,1351 9.187,1352 4.493,1353 7.78,1354 0.104,1355 0.044,1356 7.78,1357 3.292,1358 6.179,1359 0.064,1360 0.02,1361 6.179,1362 1.945,1363 0.357,1364 69.896,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 341.355,1370 140.567,1371 338.818,1372 475.93,1373 316,1374 156,1375 372.168,1376 170.011,1377 376.172,1378 556.18,1379 355,1380 6.187}
{0 CHEMBL1241488,1 1.425,2 8.522,3 3.225,4 10.401,5 93.01,6 7.931,7 0.808,8 3.762,9 3.888,10 3.401,11 3.361,12 4.948,13 3.349,14 4.225,15 4.383,16 3.761,17 3.742,18 5.35,19 3.716,20 4.427,21 4.615,22 3.831,23 3.854,24 5.511,25 3.81,26 4.491,27 4.703,28 3.789,29 3.833,30 5.599,31 3.774,32 4.437,33 4.658,34 3.638,35 3.76,36 5.474,37 3.688,38 4.368,39 4.586,40 3.551,41 3.682,42 5.453,43 3.609,44 4.345,45 4.59,46 3.412,47 3.6,48 5.388,49 3.499,50 4.206,51 4.465,52 3.117,53 3.406,54 5.205,55 3.278,56 0.048,57 0.605,58 6.72,59 2.961,60 9.505,61 3.787,62 0.13,63 0.953,64 11.725,65 4.857,66 13.916,67 6.363,68 0.105,69 1.126,70 15.531,71 6.136,72 17.497,73 8.257,74 0.248,75 1.203,76 17.495,77 6.432,78 27.45,79 8.728,80 0.154,81 1.104,82 16.963,83 6.03,84 22.262,85 8.194,86 0.154,87 1.036,88 15.66,89 5.446,90 25.487,91 7.346,92 0.124,93 0.965,94 16.44,95 6.044,96 27.33,97 8.446,98 0.134,99 0.823,100 14.739,101 5.244,102 25.836,103 7.353,104 7,105 37,106 0.249,107 0.603,108 0.76,109 0.841,110 0.863,111 0.882,112 3.19,113 0.848,114 -5.38,115 -5.27,116 -4.92,119 47.4,125 1,134 1,135 1,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 12,174 2,175 6,177 1,178 1,180 1,183 15,185 1,186 1,187 5,195 14,198 2,199 8,201 3,202 3,204 1,207 9,209 1,212 9,217 2,220 6,222 2,224 9,229 3,232 5,234 3,237 8,242 3,245 5,247 3,250 5,255 2,258 4,260 2,263 2,268 1,271 4,273 1,275 694,276 16.008,277 16.008,278 16.008,279 16.008,280 16.008,281 13.48,282 10.331,283 9.506,284 16.254,285 12.829,286 12.829,287 12.829,288 12.829,289 12.829,290 9.004,291 12.67,292 4.421,293 13.238,294 3.823,295 1.802,296 0.905,297 0.441,298 0.316,299 0.211,300 3.892,303 1,304 1,305 1,306 432,307 2.449,310 40.881,311 151.014,314 78.704,315 83.688,318 1.195,319 14.929,320 1,321 1,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 48.5,331 196,332 4.748,333 3.347,334 7.002,335 4.282,336 3.315,337 4.729,338 0.522,339 11.958,340 3.208,341 4.393,342 2.913,343 6.217,344 3.899,345 2.905,346 4.323,348 9.314,349 2.886,350 3.8,351 2.527,352 5.912,353 3.391,354 2.42,355 3.28,357 8.146,358 2.349,359 3.691,360 2.397,361 5.585,362 3.261,363 2.319,364 3.124,366 7.116,367 2.18,368 3.118,369 1.766,370 4.535,371 2.618,372 1.618,373 2.427,375 4.494,376 1.618,377 3.079,378 1.618,379 4.488,380 2.54,381 1.58,382 2.368,384 4.188,385 1.519,386 2.902,387 1.579,388 4.367,389 2.466,390 1.517,391 2.047,393 4.035,394 1.435,395 2.856,396 1.37,397 3.701,398 2.343,399 1.366,400 1.969,402 2.995,403 1.331,404 2.575,405 1.141,406 3.596,407 2.008,408 1.052,409 1.542,411 2.56,412 1.003,413 2.422,414 1.011,415 3.167,416 1.867,417 0.894,418 1.285,420 1.641,421 0.869,422 2.136,423 0.645,424 3.127,425 1.632,426 0.64,427 0.954,428 1.488,429 0.635,430 1.169,431 -0.07,432 2.682,433 0.712,434 -0.216,435 -0.281,436 -0.454,437 -0.2,438 1.063,439 -0.311,440 2.422,441 0.614,442 -0.374,443 -0.519,445 -0.807,446 -0.369,447 0.955,448 -0.434,449 2.261,450 0.45,451 -0.49,452 -0.698,454 -1.076,455 -0.46,456 0.882,457 -0.618,458 2.226,459 0.382,460 -0.618,461 -0.927,463 -1.598,464 -0.618,465 11,466 0.478,467 0.483,468 0.021,469 34.5,470 1.5,471 19.5,472 0.848,473 15,474 0.652,475 14.203,476 0.618,477 22.6,478 0.595,479 24.036,480 1.045,481 6.971,482 0.303,483 4.304,484 0.187,485 0.082,487 0.355,493 0.869,494 1.085,495 0.729,496 0.885,497 1.144,498 0.807,499 0.817,500 0.982,501 0.787,502 0.89,503 0.72,504 0.845,505 0.946,506 1.163,507 0.851,508 0.998,509 0.82,510 0.929,511 0.948,512 0.953,513 0.982,514 0.978,515 0.832,516 0.983,517 1.314,518 1.064,519 1.089,520 0.99,521 0.955,522 1.007,523 1.442,524 1.091,525 1.183,526 1.032,527 1.409,528 1.066,529 1.032,530 1.072,531 1.028,532 1.053,533 1.005,534 1.042,535 1.159,536 0.992,537 1.172,538 1.071,539 1.328,540 1.113,541 3.5,542 0.021,543 2.667,544 1.792,545 1.664,546 0.684,547 0.465,548 0.361,549 0.122,550 0.079,551 5343,552 13523,553 2.168,554 39.5,556 12,558 1,559 2,564 1.663,565 2.06,566 3.079,567 0.278,568 1,569 1,571 1,573 54.15,574 1.425,575 3.446,576 4.342,577 4.807,578 4.932,579 5.037,580 2.475,581 4.437,582 4.494,583 3.176,584 803.557,585 7.769,586 8771.52,587 1,588 1,589 1,590 1,591 199.421,592 1.302,593 4.469,594 0.135,595 0.005,596 0.072,597 0.046,598 0.046,599 0.022,600 0.017,601 0.015,602 0.007,603 0.008,604 0.373,605 0.33,606 1,607 0.896,608 105.03,609 0.047,610 0.007,611 0.052,612 0.027,613 -0.225,614 0.037,615 0.169,616 0.089,617 0.054,618 0.031,619 0.026,620 0.028,621 0.02,622 -0.143,623 0.048,624 -0.053,625 0.018,626 -0.009,627 0.189,628 0.084,629 -0.035,630 -0.049,631 0.139,632 -0.067,633 -0.228,634 -0.052,635 -0.13,636 -0.047,637 -0.043,638 -0.07,639 -0.298,640 -0.062,641 -0.228,642 -0.105,643 -0.233,644 -0.147,645 -0.079,646 -0.13,647 -0.021,648 -0.064,649 0.058,650 -0.041,651 -0.171,652 -0.057,653 -0.14,654 -0.08,655 -0.176,656 -0.101,657 1.228,658 2.086,659 0.826,660 16.703,661 0.998,662 1.12,663 4.154,664 17.253,665 0.706,666 3.296,667 3.638,668 3.989,669 4.331,670 4.605,671 4.71,672 4.868,673 5.017,674 5.1,675 5.081,676 5.061,677 0.677,678 301.38,679 3.296,680 4.844,681 5.727,682 6.632,683 7.537,684 8.452,685 9.366,686 10.284,687 11.202,688 12.122,689 13.2,693 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 38,733 22,734 2,735 26,737 41,738 18,739 15,740 3,741 7,746 4,747 6,761 17,762 1,766 1,767 1,773 1,777 1,778 1,781 15,782 4,783 2,784 5,790 5,794 0.5,803 1,806 1,811 1,812 3,815 1,816 1,830 1,831 1,840 2,848 23,849 1,854 1,877 11.167,878 6.883,879 5.083,880 2.147,881 4.378,882 1.585,883 1.058,884 3.232,885 11.856,886 3.651,887 4.341,888 5.062,889 5.769,890 6.392,891 6.811,892 7.33,893 7.849,894 8.274,895 8.596,896 0.833,897 39,898 8.422,900 3.601,901 7.638,902 16.119,904 13.351,905 2.138,906 49.167,910 153.024,911 120.006,912 84.908,917 120.006,918 153.024,919 84.908,921 17.873,922 108.707,923 63.72,924 24.056,925 2.328,926 141.253,928 153.024,929 204.913,933 153.024,937 16.973,938 128.23,939 59.71,941 153.024,942 84.908,943 120.006,946 153.024,947 19.81,948 86.205,950 98.898,951 153.024,952 84.908,953 120.006,955 0.575,956 0.353,957 0.211,958 0.122,959 20,960 8,961 0.073,962 3,963 2,964 1.211,965 3.485,966 197.583,967 0.211,968 19,969 104.042,974 13.77,975 5.398,976 2.234,977 3.854,978 83.131,979 15.94,980 13.127,984 2.234,985 1.797,986 32.897,987 357.938,988 37.5,989 3.773,995 1.787,999 37.927,1000 42.568,1001 0.272,1002 0.657,1003 0.827,1004 0.916,1005 0.94,1006 0.96,1007 4.869,1008 1.366,1009 5.714,1010 4.035,1011 4.317,1012 5.027,1013 0.434,1014 6.581,1015 4.259,1016 6.109,1017 1.052,1018 7.299,1019 2.995,1020 3.892,1021 4.913,1023 7.585,1024 3.806,1025 7.44,1026 0.894,1027 8.991,1028 2.56,1029 5.948,1030 7.391,1031 0.138,1032 10.752,1033 5.837,1034 8.816,1035 0.64,1036 10.746,1037 1.641,1038 6.399,1039 8.172,1041 12.629,1042 6.261,1043 10.229,1044 -0.216,1045 12.543,1046 1.488,1047 7.904,1048 10.083,1049 0.039,1050 15.311,1051 7.743,1052 11.67,1053 -0.374,1054 14.368,1055 -0.454,1056 8.76,1057 11.281,1059 17.54,1060 8.569,1061 13.133,1062 -0.49,1063 16.214,1064 -0.807,1065 10.051,1066 12.963,1067 0.011,1068 20.071,1069 9.836,1070 3.315,1071 -0.618,1072 18.076,1073 -1.076,1074 11.089,1075 14.349,1077 22.445,1078 10.842,1079 2.905,1080 11.958,1081 19.95,1082 -1.598,1083 12.302,1084 15.939,1085 0.003,1086 24.932,1087 12.028,1088 2.42,1089 9.314,1090 21.835,1091 4.729,1092 13.42,1093 17.409,1095 27.366,1096 13.113,1097 2.319,1098 8.146,1099 23.727,1100 4.323,1101 14.608,1102 18.964,1103 0.001,1104 29.842,1105 14.271,1106 1.618,1107 7.116,1108 25.627,1109 3.28,1110 15.763,1111 20.471,1113 32.301,1114 15.391,1115 1.58,1116 4.494,1117 27.532,1118 3.124,1119 16.945,1120 22.014,1122 34.776,1123 16.541,1124 1.517,1125 4.188,1126 29.443,1127 2.427,1128 18.117,1129 23.538,1131 37.247,1132 17.678,1133 5075,1134 8191,1135 17.8,1136 26.836,1137 39.712,1138 39.374,1139 40.778,1140 39.294,1141 39.254,1142 56.096,1143 1.043,1144 115.869,1145 38.064,1146 5.418,1147 5.347,1148 6.765,1149 5.355,1150 5.315,1151 7.729,1152 1.043,1153 19.331,1154 5.208,1155 8.41,1156 1.527,1157 1.514,1158 1.568,1159 1.511,1160 1.51,1161 2.158,1162 0.04,1163 4.456,1164 1.464,1165 4.159,1166 4.197,1167 4.135,1168 4.08,1169 5.258,1170 4.084,1171 3.999,1172 4.034,1173 3.962,1174 3.876,1175 4.928,1176 3.899,1177 3.558,1178 3.626,1179 3.44,1180 3.429,1181 4.836,1182 3.418,1183 3.467,1184 3.512,1185 3.387,1186 3.367,1187 4.678,1188 3.367,1189 3.204,1190 3.29,1191 3.109,1192 2.994,1193 4.493,1194 3.006,1195 3.049,1196 3.119,1197 2.937,1198 2.906,1199 4.243,1200 2.917,1201 2.975,1202 3.064,1203 2.86,1204 2.731,1205 3.853,1206 2.754,1207 2.719,1208 2.811,1209 2.563,1210 2.541,1211 3.688,1212 2.539,1213 0.183,1214 0.129,1215 0.269,1216 0.165,1217 0.128,1218 4.748,1219 0.182,1220 3.347,1221 0.02,1222 7.002,1223 0.46,1224 4.282,1225 0.123,1226 3.315,1227 4.729,1228 0.522,1229 11.958,1230 3.208,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.822,1238 1.783,1239 1.899,1240 2.008,1241 1.018,1242 1.976,1243 1.631,1244 1.575,1245 1.797,1246 1.816,1247 0.869,1248 1.811,1249 1.467,1250 1.422,1251 1.632,1252 1.599,1253 0.649,1254 1.616,1255 1.155,1256 1.092,1257 1.342,1258 1.41,1259 0.367,1260 1.399,1261 1.047,1262 0.985,1263 1.28,1264 1.223,1265 0.211,1266 1.241,1267 0.879,1268 0.815,1269 1.151,1270 1.182,1271 0.112,1272 1.186,1273 0.792,1274 0.674,1275 1.064,1276 1.057,1277 0.01,1278 1.068,1279 3.97,1281 5.303,1282 2.398,1283 6.853,1284 4.844,1285 8.505,1286 7.066,1287 10.207,1293 6.086,1295 0.57,1305 25.741,1306 54.15,1307 130.961,1308 165.015,1309 182.666,1310 187.421,1311 191.421,1312 26.244,1313 7.478,1314 69.62,1315 69.62,1316 23,1317 12.631,1318 4.524,1319 3.644,1320 31.649,1321 68,1322 72,1323 0.23,1324 158.557,1325 255.52,1326 378.638,1327 16750,1329 15.811,1330 0.687,1331 0.542,1332 15.811,1333 12.477,1334 11.275,1335 0.434,1336 0.283,1337 7.267,1338 10.953,1339 7.109,1340 5.915,1341 11.275,1342 7.348,1343 9.975,1344 0.27,1345 0.144,1346 9.975,1347 5.339,1348 8.868,1349 0.167,1350 0.073,1351 8.868,1352 3.884,1353 7.961,1354 0.106,1355 0.038,1356 7.961,1357 2.819,1358 6.768,1359 0.068,1360 0.02,1361 6.768,1362 1.972,1363 0.346,1364 69.831,1365 0.237,1366 22.011,1367 0.679,1368 126,1369 325.893,1370 135.103,1371 329.49,1372 470.7,1373 310,1374 153,1375 369.941,1376 163.463,1377 378.256,1378 557.79,1379 357,1380 5.252}
{0 CHEMBL1241489,1 1.418,2 8.043,3 3.335,4 11.119,5 93.013,6 7.585,7 0.808,8 3.805,9 3.936,10 3.406,11 3.387,12 4.936,13 3.367,14 4.303,15 4.478,16 3.79,17 3.782,18 5.37,19 3.749,20 4.52,21 4.722,22 3.863,23 3.908,24 5.56,25 3.858,26 4.602,27 4.83,28 3.822,29 3.903,30 5.656,31 3.831,32 4.526,33 4.752,34 3.653,35 3.827,36 5.501,37 3.741,38 4.435,39 4.645,40 3.601,41 3.754,42 5.489,43 3.669,44 4.514,45 4.779,46 3.381,47 3.684,48 5.476,49 3.554,50 4.366,51 4.67,52 3.109,53 3.467,54 5.178,55 3.302,56 0.055,57 0.64,58 7.782,59 3.278,60 9.259,61 4.397,62 0.143,63 1.021,64 14.102,65 5.572,66 16.157,67 7.685,68 0.156,69 1.229,70 18.448,71 6.647,72 19.105,73 9.368,74 0.29,75 1.307,76 21.067,77 7.349,78 32.539,79 10.457,80 0.185,81 1.188,82 19.387,83 6.606,84 24.194,85 9.412,86 0.123,87 1.098,88 17.089,89 6.142,90 23.954,91 8.692,92 0.218,93 1.112,94 20.567,95 6.679,96 35.398,97 9.743,98 0.149,99 0.883,100 19.035,101 6.776,102 24.183,103 10.062,104 11,105 38,106 0.247,107 0.604,108 0.718,109 0.795,110 0.816,111 0.833,112 3.19,113 0.88,114 -5.46,115 -5.34,116 -4.98,119 45,120 2,127 1,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 11,174 2,175 7,177 1,178 1,180 1,183 16,185 1,186 1,187 5,195 14,198 2,199 8,201 3,202 3,204 1,207 10,209 1,212 8,217 2,220 6,222 2,224 10,229 4,232 6,234 4,237 7,242 2,245 5,247 2,250 5,255 2,258 4,260 2,263 2,268 1,271 4,273 1,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.264,282 9.487,283 9.059,284 15.899,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.221,291 7.5,292 4.27,293 13.257,294 3.904,295 1.851,296 1.198,297 0.757,298 0.638,299 0.538,300 3.888,303 1,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 14.266,320 1,321 1,322 0.75,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.84,330 48.5,331 185,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.223,341 4.396,342 2.923,343 6.247,344 3.907,345 2.913,346 4.324,348 9.372,349 2.893,350 3.85,351 2.664,352 6.069,353 3.514,354 2.554,355 3.298,357 8.561,358 2.45,359 3.744,360 2.399,361 5.712,362 3.332,363 2.367,364 3.179,366 7.453,367 2.281,368 3.118,369 1.822,370 4.82,371 2.685,372 1.744,373 2.427,375 4.819,376 1.639,377 3.08,378 1.618,379 4.531,380 2.618,381 1.618,382 2.368,384 4.487,385 1.618,386 3.016,387 1.579,388 4.367,389 2.54,390 1.579,391 2.141,393 4.088,394 1.517,395 2.86,396 1.368,397 3.864,398 2.346,399 1.368,400 2.035,402 2.999,403 1.333,404 2.527,405 1.059,406 3.614,407 2.009,408 1.058,409 1.539,411 2.733,412 1.003,413 2.186,414 0.856,415 3.486,416 1.798,417 0.827,418 1.077,420 2.06,421 0.801,422 2.085,423 0.639,424 3.162,425 1.622,426 0.632,427 0.922,428 1.506,429 0.625,430 1.084,431 -0.144,432 2.682,433 0.664,434 -0.273,435 -0.348,436 -0.643,437 -0.252,438 1.03,439 -0.409,440 2.425,441 0.55,442 -0.415,443 -0.587,445 -1.037,446 -0.405,447 0.882,448 -0.618,449 2.262,450 0.382,451 -0.618,452 -0.927,454 -1.598,455 -0.618,456 0.644,457 -0.776,458 2.229,459 0.131,460 -0.811,461 -1,463 -2,464 -0.759,465 11,466 0.478,467 0.61,468 0.027,469 33.5,470 1.457,471 18.5,472 0.804,473 15,474 0.652,475 16.404,476 0.713,477 23.2,478 0.58,479 22.735,480 0.988,481 6.423,482 0.279,483 4.724,484 0.205,485 0.127,487 0.4,493 0.861,494 1.134,495 0.766,496 0.94,497 1.111,498 0.859,499 0.742,500 1.006,501 0.723,502 0.877,503 0.608,504 0.812,505 1.106,506 1.115,507 0.894,508 0.942,509 0.805,510 0.9,511 0.971,512 0.92,513 0.962,514 0.935,515 0.962,516 0.945,517 1.378,518 1.056,519 1.157,520 1.019,521 1.084,522 1.053,523 1.23,524 1.289,525 1.174,526 1.219,527 1.26,528 1.195,529 1.403,530 0.977,531 1.231,532 1.025,533 1.663,534 1.092,535 0.734,536 0.848,537 0.847,538 0.889,539 0.691,540 0.883,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 12452,553 2.141,554 42.5,556 8,558 1,559 2,561 6,564 1.663,565 2,566 3.014,567 0.278,568 1,569 1,571 1,573 56.722,574 1.418,575 3.47,576 4.124,577 4.565,578 4.684,579 4.784,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,589 1,590 1,591 212.877,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.33,606 0.88,607 0.777,608 104.655,609 0.062,610 -0.003,611 0.058,612 0.022,613 -0.185,614 0.036,615 0.235,616 0.072,617 0.165,618 0.087,619 0.179,620 0.112,621 -0.044,622 -0.062,623 0.033,624 0.008,625 0.045,626 0.026,627 0.172,628 0.113,629 0.005,630 0.005,631 0.1,632 -0.012,633 -0.272,634 -0.027,635 -0.201,636 -0.077,637 -0.145,638 -0.12,639 -0.189,640 -0.26,641 -0.242,642 -0.271,643 -0.11,644 -0.265,645 -0.28,646 -0.004,647 -0.22,648 -0.076,649 -0.367,650 -0.129,651 0.076,652 -0.006,653 0.21,654 0.136,655 0.197,656 0.18,657 1.204,658 2.116,659 0.826,660 15.981,661 0.995,662 1.125,663 4.228,664 17.873,665 0.69,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.657,678 303.4,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 12.5,693 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 40,733 21,734 2,735 26,737 43,738 18,739 15,740 3,741 7,746 4,747 6,752 2,758 1,761 15,762 3,777 1,778 1,781 17,782 4,783 2,784 5,790 5,794 0.5,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,858 1,877 11.5,878 7.883,879 4.944,880 2.447,881 4.316,882 1.577,883 1.038,884 3.19,885 11.795,886 3.624,887 4.341,888 5.068,889 5.772,890 6.396,891 6.819,892 7.316,893 7.841,894 8.264,895 8.596,896 1,897 40,898 8.448,900 3.624,901 7.587,902 16.298,904 13.625,905 2.087,906 48,909 1,910 176.567,911 110.307,912 84.908,917 110.307,918 176.567,919 84.908,920 17.65,922 99.231,923 63.72,924 24.056,925 2.328,926 164.795,928 176.567,929 195.215,933 105.94,934 70.627,937 32.518,938 112.463,939 50.234,941 176.567,942 84.908,943 110.307,946 176.567,947 17.704,948 94.379,950 83.131,951 176.567,952 84.908,953 110.307,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.047,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 14.012,975 5.236,976 2.22,977 3.966,978 83.131,979 16.065,980 13.284,984 2.317,985 1.901,986 32.897,987 371.782,988 36.5,999 39.811,1000 44.983,1001 0.266,1002 0.652,1003 0.775,1004 0.858,1005 0.88,1006 0.899,1007 4.862,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 5.027,1014 6.632,1015 4.284,1016 6.113,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.956,1023 7.667,1024 3.92,1025 7.453,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.398,1032 10.825,1033 5.879,1034 8.836,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.195,1041 12.713,1042 6.348,1043 10.255,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 10.095,1050 15.399,1051 7.797,1052 11.699,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.297,1059 17.635,1060 8.642,1061 13.165,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.976,1068 20.172,1069 9.895,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.365,1077 22.553,1078 10.909,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.954,1086 25.048,1087 12.09,1088 2.554,1089 9.372,1090 21.934,1091 4.737,1092 13.51,1093 17.426,1095 27.49,1096 13.18,1097 2.367,1098 8.561,1099 23.83,1100 4.324,1101 14.7,1102 18.982,1104 29.975,1105 14.337,1106 1.744,1107 7.453,1108 25.732,1109 3.298,1110 15.861,1111 20.49,1113 32.444,1114 15.46,1115 1.618,1116 4.819,1117 27.64,1118 3.179,1119 17.047,1120 22.034,1122 34.929,1123 16.612,1124 1.579,1125 4.487,1126 29.553,1127 2.427,1128 18.225,1129 23.56,1131 37.41,1132 17.752,1133 4990,1134 7815,1135 17.512,1136 27.597,1137 40.362,1138 39.93,1139 41.515,1140 40.025,1141 39.997,1142 56.095,1144 120.33,1145 38.769,1146 5.429,1147 5.376,1148 6.727,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.223,1155 10.072,1156 1.552,1157 1.536,1158 1.597,1159 1.539,1160 1.538,1161 2.157,1163 4.628,1164 1.491,1165 4.162,1166 4.201,1167 4.138,1168 4.081,1169 5.257,1170 4.085,1171 4.002,1172 4.037,1173 3.963,1174 3.88,1175 4.923,1176 3.902,1177 3.579,1178 3.656,1179 3.445,1180 3.426,1181 4.825,1182 3.414,1183 3.467,1184 3.512,1185 3.386,1186 3.363,1187 4.515,1188 3.363,1189 3.158,1190 3.245,1191 3.051,1192 2.987,1193 4.278,1194 2.989,1195 3.035,1196 3.115,1197 2.914,1198 2.87,1199 4.046,1200 2.883,1201 2.974,1202 3.061,1203 2.855,1204 2.68,1205 3.843,1206 2.717,1207 2.874,1208 3.009,1209 2.526,1210 2.618,1211 3.677,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.128,1218 4.762,1219 0.182,1220 3.376,1222 7.039,1223 0.465,1224 4.303,1225 0.124,1226 3.339,1227 4.737,1229 12.088,1230 3.223,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.829,1238 1.788,1239 1.949,1240 2.021,1241 1.146,1242 1.994,1243 1.656,1244 1.594,1245 1.818,1246 1.848,1247 0.923,1248 1.847,1249 1.465,1250 1.417,1251 1.632,1252 1.601,1253 0.667,1254 1.617,1255 1.117,1256 1.062,1257 1.417,1258 1.365,1259 0.469,1260 1.346,1261 1.009,1262 0.942,1263 1.304,1264 1.239,1265 0.37,1266 1.308,1267 0.934,1268 0.804,1269 1.217,1270 1.222,1271 0.193,1272 1.24,1273 0.831,1274 0.749,1275 1.076,1276 1.141,1277 0.035,1278 1.136,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.157,1293 6.116,1299 0.195,1305 26.268,1306 56.722,1307 138.819,1308 164.961,1309 182.612,1310 187.367,1311 191.367,1312 27.182,1313 7.478,1314 69.62,1315 69.62,1316 23,1317 12.676,1318 4.459,1319 3.524,1320 31.639,1321 67,1322 68,1323 0.235,1324 161.484,1325 258.16,1326 385.781,1327 16621,1329 15.974,1330 0.695,1331 0.568,1332 15.974,1333 13.062,1334 11.148,1335 0.429,1336 0.293,1337 7.549,1338 10.824,1339 7.303,1340 6.109,1341 11.148,1342 7.628,1343 10.335,1344 0.272,1345 0.155,1346 10.335,1347 5.906,1348 8.979,1349 0.166,1350 0.075,1351 8.979,1352 4.03,1353 7.939,1354 0.104,1355 0.038,1356 7.939,1357 2.894,1358 6.765,1359 0.067,1360 0.02,1361 6.765,1362 2.052,1363 0.352,1364 69.03,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 319.893,1370 137.436,1371 322.948,1372 464.31,1373 304,1374 156,1375 369.293,1376 166.63,1377 377.096,1378 557.06,1379 356,1380 5.319}
{0 CHEMBL1241490,1 1.582,2 7.364,3 2.73,4 7.451,5 85.404,6 7.929,7 0.8,8 3.754,9 3.876,10 3.389,11 3.286,12 4.918,13 3.292,14 4.254,15 4.42,16 3.783,17 3.677,18 5.362,19 3.676,20 4.426,21 4.618,22 3.804,23 3.763,24 5.508,25 3.742,26 4.503,27 4.722,28 3.774,29 3.781,30 5.595,31 3.735,32 4.422,33 4.641,34 3.596,35 3.715,36 5.427,37 3.646,38 4.363,39 4.562,40 3.583,41 3.664,42 5.466,43 3.598,44 4.458,45 4.718,46 3.333,47 3.572,48 5.439,49 3.453,50 4.277,51 4.582,52 3.01,53 3.267,54 5.157,55 3.103,56 0.063,57 0.604,58 6.835,59 2.98,60 8.537,61 3.748,62 0.178,63 0.952,64 12.961,65 5.02,66 17.031,67 6.548,68 0.222,69 1.1,70 16.298,71 5.579,72 19.131,73 7.531,74 0.341,75 1.17,76 18.54,77 6.204,78 31.39,79 8.558,80 0.214,81 1.071,82 16.672,83 5.606,84 21.651,85 7.861,86 0.194,87 1.011,88 15.071,89 5.435,90 23.622,91 7.523,92 0.305,93 0.993,94 19.417,95 6.133,96 35.093,97 8.873,98 0.327,99 0.721,100 18.454,101 6.091,102 32.135,103 9.18,104 11,105 37,106 0.28,107 0.678,108 0.782,109 0.82,110 0.83,111 0.83,112 3.149,113 0.853,114 -4.28,115 -4.22,116 -3.98,119 43.2,120 2,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 10,177 1,178 1,180 1,183 7,185 1,186 1,187 7,195 6,198 2,199 9,201 3,202 3,204 1,207 5,209 1,212 7,217 2,220 3,222 2,223 1,224 8,229 4,232 4,234 4,236 1,237 2,242 1,245 4,247 1,249 2,252 1,253 1,258 2,263 2,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.192,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 12.757,294 3.627,295 1.383,296 0.798,297 0.581,298 0.527,299 0.527,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 16.625,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 162,332 4.762,333 3.376,334 7.039,335 4.304,336 3.339,337 4.737,339 12.088,340 3.224,341 4.414,342 2.939,343 6.253,344 3.924,345 2.93,346 4.353,348 9.393,349 2.91,350 3.852,351 2.666,352 6.073,353 3.517,354 2.557,355 3.301,357 8.572,358 2.453,359 3.746,360 2.404,361 5.713,362 3.335,363 2.37,364 3.179,366 7.457,367 2.284,368 3.056,369 1.822,370 4.82,371 2.685,372 1.743,373 2.328,375 4.819,376 1.638,377 3.034,378 1.55,379 4.518,380 2.535,381 1.55,382 2.3,384 4.378,385 1.534,386 3.009,387 1.533,388 4.333,389 2.496,390 1.533,391 2.133,393 4.044,394 1.464,395 2.636,396 1.155,397 3.864,398 2.122,399 1.153,400 1.7,402 2.795,403 1.116,404 2.47,405 1,406 3.509,407 1.972,408 1,409 1.457,411 2.398,412 0.969,413 2.133,414 0.837,415 3.419,416 1.771,417 0.806,418 1.036,420 2.014,421 0.776,422 1.885,423 0.401,424 3.036,425 1.39,426 0.396,427 0.588,428 0.984,429 0.394,430 1.061,431 -0.155,432 2.652,433 0.628,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.389,442 -0.59,443 -0.818,445 -1.644,446 -0.576,447 0.628,448 -0.797,449 2.259,450 0.121,451 -0.841,452 -1,454 -2,455 -0.793,456 0.545,457 -0.907,458 2.206,459 0.052,460 -0.922,461 -1.149,463 -2.365,464 -0.912,465 10.333,466 0.47,467 0.61,468 0.028,469 31.5,470 1.432,471 16.5,472 0.75,473 15,474 0.682,475 15.627,476 0.71,477 22.667,478 0.613,479 21.115,480 0.96,481 6.071,482 0.276,483 4.577,484 0.208,485 0.135,487 0.426,493 0.884,494 1.213,495 0.72,496 1.008,497 1.058,498 0.863,499 0.906,500 1.029,501 0.679,502 0.874,503 0.657,504 0.765,505 1.133,506 1.15,507 0.906,508 0.93,509 0.854,510 0.884,511 0.931,512 0.906,513 0.964,514 0.89,515 0.979,516 0.921,517 0.999,518 1.102,519 1.152,520 1.053,521 0.993,522 1.094,523 0.886,524 1.302,525 1.15,526 1.257,527 1.131,528 1.239,529 1.003,530 0.968,531 1.209,532 1.088,533 1.498,534 1.152,535 0.474,536 0.728,537 0.771,538 0.891,539 0.548,540 0.888,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 12191,553 2.148,554 40.5,556 5,557 1,558 1,559 2,561 6,564 1.652,565 2,566 2.918,567 0.348,568 1,569 1,571 1,573 58.537,574 1.582,575 3.827,576 4.412,577 4.628,578 4.682,579 4.682,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,589 1,590 1,591 192.75,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.5,606 1,607 0.797,608 98.122,609 -0.009,610 -0.064,611 0.062,612 -0.03,613 -0.173,614 0.019,615 0.079,616 0.051,617 0.193,618 0.097,619 0.16,620 0.149,621 -0.136,622 -0.089,623 0.006,624 0.015,625 0.006,626 0.03,627 0.02,628 0.141,629 -0.019,630 0.045,631 0.029,632 0.008,633 -0.216,634 -0.054,635 -0.235,636 -0.11,637 -0.15,638 -0.157,639 -0.064,640 -0.256,641 -0.254,642 -0.303,643 -0.084,644 -0.307,645 -0.088,646 -0.026,647 -0.194,648 -0.133,649 -0.321,650 -0.164,651 0.422,652 0.05,653 0.352,654 0.142,655 0.412,656 0.222,657 1.223,658 2.078,659 0.818,660 14.281,661 1.007,662 1.129,663 3.051,664 9.306,665 0.684,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.661,678 293.36,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 13.5,693 1,697 1,699 3,703 4,704 6,705 3,707 1,709 3,710 1,711 20,722 1,731 37,733 20,734 1,735 25,737 40,738 16,739 13,740 3,741 3,746 4,747 6,752 2,758 1,761 13,762 3,777 1,778 1,780 1,781 15,782 5,783 2,784 6,790 5,794 0.5,795 1,803 1,806 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,870 2.7,875 1,877 11,878 7.383,879 4.694,880 2.239,881 4.036,882 1.548,883 1.037,884 2.91,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.07,900 3.486,901 7.659,902 15.419,904 12.869,905 2.159,906 47.5,910 153.024,911 95.881,912 84.908,914 9.507,917 95.881,918 162.532,919 84.908,920 17.65,922 82.542,923 63.72,924 30.991,925 18.935,926 129.482,928 153.024,929 180.789,930 9.507,933 82.398,934 80.134,937 32.518,938 98.037,939 50.234,941 153.024,942 94.415,943 95.881,946 153.024,947 19.968,948 77.69,950 92.639,951 153.024,952 94.415,953 95.881,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.05,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.286,975 4.818,976 2.011,977 3.421,978 92.639,979 11.033,980 13.181,982 5.388,984 2.212,985 1.877,986 32.897,987 343.321,988 35,999 37.254,1000 41.777,1001 0.304,1002 0.735,1003 0.847,1004 0.888,1005 0.899,1006 0.899,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.256,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.92,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.862,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.366,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.794,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.662,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.902,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.929,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 12.103,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.198,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.353,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.479,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.629,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.77,1133 4398,1134 7266,1135 16.819,1136 25.29,1137 39.193,1138 38.662,1139 40.034,1140 38.805,1141 38.753,1142 54.225,1144 117.881,1145 37.525,1146 5.437,1147 5.376,1148 6.567,1149 5.377,1150 5.339,1151 7.737,1153 19.555,1154 5.224,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.552,1160 1.55,1161 2.169,1163 4.715,1164 1.501,1165 4.166,1166 4.2,1167 4.143,1168 4.053,1169 5.262,1170 4.069,1171 4.007,1172 4.03,1173 3.977,1174 3.854,1175 5.142,1176 3.882,1177 3.578,1178 3.655,1179 3.445,1180 3.411,1181 4.861,1182 3.403,1183 3.394,1184 3.433,1185 3.326,1186 3.248,1187 4.533,1188 3.262,1189 3.126,1190 3.216,1191 3.008,1192 2.914,1193 4.299,1194 2.93,1195 2.991,1196 3.094,1197 2.87,1198 2.719,1199 4.035,1200 2.746,1201 2.874,1202 3.009,1203 2.757,1204 2.656,1205 3.815,1206 2.679,1207 2.869,1208 2.922,1209 2.499,1210 2.618,1211 3.672,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.304,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.224,1231 1.958,1232 1.942,1233 2.025,1234 2.044,1235 1.181,1236 2.033,1237 1.805,1238 1.759,1239 1.946,1240 1.995,1241 1.14,1242 1.979,1243 1.618,1244 1.554,1245 1.778,1246 1.816,1247 0.859,1248 1.815,1249 1.387,1250 1.364,1251 1.558,1252 1.605,1253 0.551,1254 1.583,1255 1.165,1256 1.117,1257 1.417,1258 1.411,1259 0.469,1260 1.382,1261 0.934,1262 0.807,1263 1.265,1264 1.239,1265 0.289,1266 1.308,1267 0.892,1268 0.804,1269 1.151,1270 1.234,1271 0.07,1272 1.219,1273 0.774,1274 0.718,1275 1.044,1276 1.076,1277 0.038,1278 1.06,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.127,1293 6.078,1299 0.184,1305 24.456,1306 58.537,1307 141.589,1308 163.24,1309 171.24,1310 173.24,1311 173.24,1312 25.948,1313 7.358,1314 82.76,1315 82.76,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 149.223,1325 234.99,1326 355.864,1327 14040,1329 15.267,1330 0.694,1331 0.56,1332 15.267,1333 12.316,1334 10.648,1335 0.426,1336 0.284,1337 7.004,1338 10.191,1339 6.796,1340 5.665,1341 10.648,1342 7.112,1343 9.981,1344 0.27,1345 0.149,1346 9.981,1347 5.518,1348 8.729,1349 0.165,1350 0.07,1351 8.729,1352 3.733,1353 7.769,1354 0.104,1355 0.036,1356 7.769,1357 2.671,1358 6.227,1359 0.066,1360 0.019,1361 6.227,1362 1.783,1363 0.361,1364 66.938,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 349.628,1370 136.979,1371 341.976,1372 487.89,1373 322,1374 152,1375 387.657,1376 166.284,1377 390.235,1378 577.64,1379 368,1380 5.975}
{0 CHEMBL1241491,1 1.549,2 7.958,3 3.406,4 11.597,5 92.65,6 7.79,7 0.714,8 3.863,9 3.982,10 3.491,11 3.417,12 4.957,13 3.415,14 4.407,15 4.567,16 3.888,17 3.851,18 5.439,19 3.828,20 4.643,21 4.867,22 3.873,23 3.91,24 5.592,25 3.853,26 4.616,27 4.851,28 3.87,29 3.868,30 5.644,31 3.823,32 4.52,33 4.73,34 3.761,35 3.845,36 5.51,37 3.79,38 4.508,39 4.704,40 3.751,41 3.844,42 5.542,43 3.781,44 4.587,45 4.821,46 3.614,47 3.799,48 5.545,49 3.697,50 4.527,51 4.811,52 3.26,53 3.587,54 5.415,55 3.426,56 0.054,57 0.667,58 7.863,59 3.467,60 8.425,61 4.412,62 0.157,63 1.102,64 15.098,65 6.191,66 16.716,67 8.102,68 0.219,69 1.304,70 21.942,71 7.654,72 23.423,73 10.751,74 0.369,75 1.302,76 21.823,77 6.932,78 33.591,79 9.804,80 0.211,81 1.208,82 18.382,83 6.08,84 23.857,85 8.528,86 0.213,87 1.184,88 17.693,89 6.298,90 25.41,91 8.702,92 0.239,93 1.19,94 20.917,95 7.317,96 28.778,97 10.376,98 0.373,99 1.003,100 22.219,101 7.427,102 40.257,103 10.921,104 2,105 41,106 0.268,107 0.648,108 0.758,109 0.825,110 0.834,111 0.834,112 3.231,113 0.887,114 -4.76,115 -4.67,116 -4.39,119 43.9,121 4,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 10,177 1,178 1,180 1,183 9,185 1,186 1,187 9,195 6,198 2,199 11,201 3,202 3,204 1,207 5,209 1,212 9,217 2,220 5,222 2,223 1,224 8,229 4,232 6,234 4,236 1,237 4,242 3,245 8,247 3,249 2,252 1,253 1,258 6,263 2,271 2,275 760,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.548,282 9.487,283 9.779,284 17.037,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.422,291 7.5,292 4.637,293 14.266,294 3.809,295 1.611,296 0.976,297 0.585,298 0.537,299 0.537,300 3.945,303 1,304 1,305 1,306 437,307 2.121,310 139.283,311 102.98,314 160.199,318 1.135,319 17.601,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 191,332 4.766,333 3.389,334 7.051,335 4.313,336 3.349,337 4.738,339 12.147,340 3.231,341 4.415,342 2.95,343 6.293,344 3.929,345 2.936,346 4.353,348 9.503,349 2.915,350 3.904,351 2.766,352 6.145,353 3.647,354 2.677,355 3.312,357 8.961,358 2.596,359 3.761,360 2.405,361 5.751,362 3.351,363 2.38,364 3.198,366 7.634,367 2.31,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.366,375 5.69,376 1.899,377 3.051,378 1.552,379 4.519,380 2.535,381 1.552,382 2.322,384 4.384,385 1.534,386 3.033,387 1.533,388 4.333,389 2.497,390 1.533,391 2.3,393 4.052,394 1.464,395 2.654,396 1.41,397 4.234,398 2.309,399 1.345,400 1.72,402 3.529,403 1.293,404 2.601,405 1.154,406 3.672,407 2.122,408 1.151,409 1.636,411 2.661,412 1.116,413 2.411,414 0.973,415 3.431,416 1.932,417 0.966,418 1.376,420 2.308,421 0.931,422 1.911,423 0.702,424 3.248,425 1.663,426 0.683,427 0.792,428 1.74,429 0.668,430 1.837,431 0.618,432 3.036,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.4,440 3,441 1.389,442 0.395,443 0.584,445 0.983,446 0.393,447 1.061,448 -0.153,449 2.652,450 0.63,451 -0.286,452 -0.364,454 -0.672,455 -0.261,456 0.846,457 -0.589,458 2.461,459 0.389,460 -0.59,461 -0.817,463 -1.644,464 -0.576,465 11.333,466 0.472,467 0.534,468 0.022,469 33,470 1.375,471 16.5,472 0.688,473 16.5,474 0.688,475 18.295,476 0.762,477 24.667,478 0.602,479 21.709,480 0.905,481 6.046,482 0.252,483 5.764,484 0.24,485 0.035,487 0.388,493 0.859,494 1.169,495 0.723,496 0.983,497 0.917,498 0.856,499 0.86,500 1.09,501 0.805,502 1.014,503 0.62,504 0.925,505 0.958,506 1.162,507 0.877,508 0.992,509 0.71,510 0.933,511 0.991,512 0.855,513 0.877,514 0.758,515 0.952,516 0.785,517 1.095,518 1.097,519 1.112,520 0.972,521 1.099,522 1.009,523 0.98,524 1.192,525 1.153,526 1.138,527 1.281,528 1.151,529 0.911,530 1.146,531 1.15,532 1.191,533 1.324,534 1.195,535 0.712,536 0.809,537 1.052,538 1.009,539 1.019,540 1.066,541 3.5,543 2.889,544 1.764,545 1.522,546 0.716,547 0.469,548 0.348,549 0.148,550 0.047,551 6351,552 15039,553 2.262,554 41.5,555 4,556 5,557 1,558 1,559 2,561 4,564 1.676,565 2.182,566 3.02,567 0.296,569 1,571 1,573 63.504,574 1.549,575 3.747,576 4.382,577 4.772,578 4.821,579 4.821,580 2.44,581 4.22,582 4.558,583 3.145,584 868.043,585 7.902,586 9735.16,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.125,596 0.07,597 0.045,598 0.039,599 0.02,600 0.014,601 0.012,602 0.008,603 0.005,604 0.339,605 0.33,606 0.88,607 0.382,608 110.695,609 0.007,610 -0.025,611 0.072,612 0.001,613 -0.021,614 0.039,615 0.073,616 -0.012,617 0.059,618 -0.032,619 0.165,620 -0.001,621 -0.026,622 -0.166,623 0.086,624 -0.025,625 0.13,626 0.033,627 0.034,628 0.192,629 0.105,630 0.165,631 0.08,632 0.146,633 -0.241,634 -0.008,635 -0.197,636 -0.045,637 -0.189,638 -0.095,639 -0.116,640 -0.117,641 -0.255,642 -0.194,643 -0.198,644 -0.231,645 -0.04,646 -0.165,647 -0.185,648 -0.224,649 -0.203,650 -0.222,651 0.206,652 0.063,653 0.006,654 -0.015,655 0.087,656 -0.026,657 1.188,658 2.176,659 0.958,660 17.167,661 1.003,662 1.127,663 3.531,664 12.47,665 0.684,666 3.367,667 3.738,668 4.111,669 4.466,670 4.682,671 4.883,672 5.081,673 5.268,674 5.328,675 5.384,676 5.036,677 0.658,678 319.4,679 3.367,680 4.934,681 5.832,682 6.746,683 7.662,684 8.584,685 9.507,686 10.433,687 11.359,688 12.288,689 12.2,693 1,697 1,699 3,703 4,704 6,705 3,707 1,709 3,710 1,711 20,722 1,731 41,733 20,734 1,735 28,737 45,738 18,739 13,740 3,741 3,746 5,747 7,755 5,758 5,761 13,762 5,777 1,778 1,780 1,781 17,782 5,783 2,784 6,790 5,794 0.6,795 1,803 1,806 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,870 2.4,875 1,877 11,878 7.383,879 5.111,880 2.655,881 3.983,882 1.515,883 1.07,884 3.101,885 11.719,886 3.664,887 4.363,888 5.091,889 5.796,890 6.355,891 6.837,892 7.362,893 7.89,894 8.22,895 8.651,896 1,897 39,898 8.856,900 3.922,901 7.563,902 17.271,904 15.059,905 2.063,906 49.5,909 1,910 176.567,911 88.369,912 84.908,914 9.507,917 88.369,918 186.074,919 84.908,921 10.138,922 82.542,923 63.72,924 30.991,925 18.935,926 153.024,928 176.567,929 173.277,930 9.507,933 129.482,934 56.592,937 25.005,938 98.037,939 50.234,941 176.567,942 94.415,943 88.369,946 176.567,947 30.106,948 60.04,950 92.639,951 176.567,952 94.415,953 88.369,955 0.589,956 0.362,957 0.212,958 0.108,959 24,960 9,961 0.044,962 2,963 2,964 1.174,965 3.633,966 219.375,967 0.174,968 23,969 106.039,974 13.996,975 5.317,976 2.156,977 3.581,978 92.639,979 11.222,980 13.554,982 5.431,984 2.33,985 2.051,986 32.897,987 359.351,988 38,999 41.138,1000 46.192,1001 0.289,1002 0.699,1003 0.818,1004 0.891,1005 0.9,1006 0.9,1007 4.913,1008 1.345,1009 5.826,1010 4.052,1011 4.419,1012 5.05,1014 6.706,1015 4.363,1016 6.145,1017 1.151,1018 7.419,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.92,1025 7.481,1026 0.966,1027 9.116,1028 2.661,1029 6.066,1030 7.401,1032 10.895,1033 5.957,1034 8.863,1035 0.683,1036 10.877,1037 2.308,1038 6.553,1039 8.224,1041 12.785,1042 6.413,1043 10.282,1044 0.618,1045 12.678,1046 1.74,1047 8.038,1048 10.1,1050 15.47,1051 7.873,1052 11.728,1053 0.395,1054 14.509,1055 1.372,1056 8.916,1057 11.326,1059 17.706,1060 8.719,1061 13.194,1062 -0.286,1063 16.359,1064 0.983,1065 10.195,1066 12.989,1068 20.243,1069 9.97,1070 3.349,1071 -0.59,1072 18.225,1073 -0.672,1074 11.245,1075 14.392,1077 22.624,1078 10.986,1079 2.936,1080 12.147,1081 20.102,1082 -1.644,1083 12.454,1084 15.973,1086 25.12,1087 12.163,1088 2.677,1089 9.503,1090 21.99,1091 4.738,1092 13.579,1093 17.452,1095 27.562,1096 13.252,1097 2.38,1098 8.961,1099 23.885,1100 4.353,1101 14.768,1102 19.004,1104 30.05,1105 14.407,1106 1.996,1107 7.634,1108 25.787,1109 3.312,1110 15.928,1111 20.516,1113 32.52,1114 15.53,1115 1.552,1116 5.69,1117 27.695,1118 3.198,1119 17.114,1120 22.058,1122 35.008,1123 16.68,1124 1.533,1125 4.384,1126 29.608,1127 2.366,1128 18.292,1129 23.586,1131 37.491,1132 17.82,1133 5770,1134 9034,1135 19.592,1136 28.051,1137 43.113,1138 43.039,1139 43.439,1140 43.252,1141 43.162,1142 58.631,1144 129.925,1145 41.938,1146 5.668,1147 5.389,1148 6.646,1149 5.388,1150 5.349,1151 7.738,1153 19.687,1154 5.231,1155 5.845,1156 1.54,1157 1.537,1158 1.551,1159 1.545,1160 1.541,1161 2.094,1163 4.64,1164 1.498,1165 4.173,1166 4.21,1167 4.149,1168 4.058,1169 5.262,1170 4.074,1171 4.017,1172 4.039,1173 3.982,1174 3.875,1175 5.142,1176 3.897,1177 3.793,1178 3.85,1179 3.667,1180 3.675,1181 4.858,1182 3.667,1183 3.4,1184 3.448,1185 3.34,1186 3.249,1187 4.532,1188 3.262,1189 3.225,1190 3.305,1191 3.138,1192 2.966,1193 4.305,1194 2.999,1195 2.999,1196 3.094,1197 2.89,1198 2.813,1199 4.135,1200 2.822,1201 2.889,1202 2.979,1203 2.765,1204 2.671,1205 3.817,1206 2.68,1207 2.869,1208 2.959,1209 2.583,1210 2.66,1211 3.677,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.766,1219 0.169,1220 3.389,1222 7.051,1223 0.434,1224 4.313,1225 0.115,1226 3.349,1227 4.738,1229 12.147,1230 3.231,1231 1.958,1232 1.942,1233 2.024,1234 2.042,1235 1.244,1236 2.032,1237 1.799,1238 1.756,1239 1.893,1240 1.984,1241 1.211,1242 1.96,1243 1.594,1244 1.537,1245 1.86,1246 1.785,1247 1.175,1248 1.793,1249 1.577,1250 1.507,1251 1.754,1252 1.751,1253 0.869,1254 1.779,1255 1.387,1256 1.364,1257 1.557,1258 1.605,1259 0.552,1260 1.583,1261 1.159,1262 1.115,1263 1.26,1264 1.389,1265 0.305,1266 1.365,1267 0.891,1268 0.807,1269 1.151,1270 1.234,1271 0.101,1272 1.219,1273 0.775,1274 0.719,1275 1.044,1276 1.071,1277 0.094,1278 1.057,1279 4.043,1281 5.398,1282 3.434,1283 6.948,1284 5.733,1285 8.592,1286 7.803,1287 10.289,1293 6.176,1295 4.758,1299 0.396,1305 26.983,1306 63.504,1307 153.621,1308 179.66,1309 195.66,1310 197.66,1311 197.66,1312 28.206,1313 7.736,1314 82.76,1315 82.76,1316 27,1317 12.792,1318 4.392,1319 3.459,1320 30.081,1321 71,1322 66,1323 0.208,1324 161.014,1325 257.23,1326 384.635,1327 22600,1329 16.096,1330 0.671,1331 0.548,1332 16.096,1333 13.144,1334 11.81,1335 0.422,1336 0.296,1337 8.165,1338 11.362,1339 8.051,1340 6.621,1341 11.81,1342 8.274,1343 10.782,1344 0.263,1345 0.155,1346 10.782,1347 6.362,1348 9.878,1349 0.165,1350 0.082,1351 9.878,1352 4.915,1353 8.93,1354 0.104,1355 0.043,1356 8.93,1357 3.715,1358 6.856,1359 0.064,1360 0.02,1361 6.856,1362 2.174,1363 0.312,1364 73.909,1365 0.226,1366 22.753,1367 0.622,1368 138,1369 363.628,1370 150.979,1371 355.497,1372 510.05,1373 336,1374 170,1375 405.657,1376 184.617,1377 407.507,1378 606.52,1379 386,1380 5.57}
{0 CHEMBL1241492,1 1.67,2 7.364,3 1.996,4 3.984,5 82.64,6 8.438,7 0.8,8 3.727,9 3.852,10 3.41,11 3.214,12 4.967,13 3.24,14 4.205,15 4.378,16 3.791,17 3.602,18 5.36,19 3.622,20 4.361,21 4.556,22 3.808,23 3.68,24 5.494,25 3.685,26 4.465,27 4.684,28 3.786,29 3.692,30 5.605,31 3.678,32 4.355,33 4.564,34 3.602,35 3.631,36 5.421,37 3.591,38 4.312,39 4.505,40 3.6,41 3.587,42 5.473,43 3.543,44 4.413,45 4.679,46 3.362,47 3.463,48 5.468,49 3.366,50 4.197,51 4.513,52 3.041,53 3.068,54 5.178,55 2.943,56 0.177,57 0.616,58 5.838,59 2.521,60 11.984,61 3.162,62 0.239,63 0.955,64 11.202,65 4.268,66 18.98,67 5.652,68 0.285,69 1.061,70 13.916,71 4.558,72 19.412,73 6.245,74 0.446,75 1.093,76 17.055,77 5.193,78 35.513,79 7.09,80 0.332,81 0.997,82 14.264,83 4.65,84 25.088,85 6.27,86 0.286,87 0.963,88 12.761,89 4.758,90 23.908,91 6.448,92 0.45,93 0.886,94 18.336,95 5.454,96 41.969,97 8.012,98 0.446,99 0.596,100 18.16,101 5.047,102 39.163,103 8.076,104 11,105 37,106 0.299,107 0.701,108 0.774,109 0.808,110 0.819,111 0.819,112 3.149,113 0.824,114 -3.89,115 -3.85,116 -3.65,119 40,120 2,127 1,142 3,143 2,146 3,147 1,148 1,161 1,163 1,164 1,165 1,166 3,172 3,174 3,175 9,177 1,178 1,180 1,183 4,185 1,186 1,187 11,195 3,198 2,199 11,201 3,202 3,204 1,207 3,209 1,211 1,212 6,217 2,220 2,222 2,223 3,224 6,229 3,232 4,234 3,236 4,239 1,240 1,245 2,249 4,250 2,252 2,253 2,263 4,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.261,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 12.869,294 3.459,295 1.212,296 0.808,297 0.615,298 0.557,299 0.557,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 18.23,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48.5,331 162,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.221,341 4.414,342 2.939,343 6.253,344 3.901,345 2.93,346 4.353,348 9.393,349 2.842,350 3.852,351 2.666,352 6.073,353 3.513,354 2.557,355 3.301,357 8.572,358 2.442,359 3.746,360 2.404,361 5.713,362 3.33,363 2.37,364 3.179,366 7.457,367 2.273,368 3.056,369 1.822,370 4.82,371 2.685,372 1.743,373 2.328,375 4.819,376 1.638,377 3.034,378 1.55,379 4.518,380 2.509,381 1.55,382 2.3,384 4.378,385 1.49,386 3.009,387 1.533,388 4.333,389 2.489,390 1.533,391 2.133,393 4.044,394 1.456,395 2.636,396 1.155,397 3.864,398 2.12,399 1.153,400 1.7,402 2.795,403 1.114,404 2.47,405 1,406 3.509,407 1.972,408 1,409 1.457,411 2.398,412 0.969,413 2.133,414 0.837,415 3.419,416 1.77,417 0.806,418 1.036,420 2.014,421 0.775,422 1.885,423 0.401,424 3.036,425 1.359,426 0.396,427 0.588,428 0.984,429 0.381,430 1.061,431 -0.155,432 2.652,433 0.628,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.383,442 -0.59,443 -0.818,445 -1.644,446 -0.572,447 0.628,448 -0.797,449 2.259,450 0.115,451 -0.841,452 -1,454 -2,455 -0.79,456 0.545,457 -0.907,458 2.206,459 0.051,460 -0.922,461 -1.149,463 -2.365,464 -0.906,465 10.133,466 0.461,467 0.61,468 0.028,469 32,470 1.455,471 16.5,472 0.75,473 15.5,474 0.705,475 15.243,476 0.693,477 22.867,478 0.653,479 21.499,480 0.977,481 6.186,482 0.281,483 4.461,484 0.203,485 0.138,487 0.434,493 0.628,494 1.21,495 0.656,496 0.972,497 0.897,498 0.845,499 0.678,500 1.12,501 0.584,502 0.912,503 0.553,504 0.756,505 0.953,506 1.234,507 0.838,508 0.977,509 0.77,510 0.883,511 1.035,512 0.912,513 0.964,514 0.879,515 1.006,516 0.898,517 1.073,518 1.059,519 1.191,520 1.063,521 1.016,522 1.123,523 0.782,524 1.308,525 1.144,526 1.389,527 1.051,528 1.349,529 0.815,530 0.872,531 1.152,532 1.134,533 1.337,534 1.197,535 0.41,536 0.665,537 0.654,538 0.849,539 0.421,540 0.822,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 13732,553 2.148,554 37.1,556 4,558 1,559 2,561 6,564 1.652,565 2,566 2.918,567 0.438,569 1,571 1,573 58.465,574 1.67,575 3.918,576 4.322,577 4.515,578 4.572,579 4.572,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,590 1,591 179.525,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.67,606 1,607 0.797,608 98.122,609 0.227,610 -0.023,611 0.073,612 0.023,613 -0.044,614 0.017,615 0.115,616 -0.019,617 0.246,618 0.082,619 0.198,620 0.17,621 -0.136,622 -0.169,623 0.036,624 -0.012,625 0.016,626 0.045,627 -0.07,628 0.096,629 -0.014,630 0.069,631 -0.018,632 0.043,633 -0.256,634 -0.02,635 -0.297,636 -0.096,637 -0.184,638 -0.181,640 -0.264,641 -0.276,642 -0.405,643 -0.077,644 -0.404,645 0.089,646 0.012,647 -0.09,648 -0.161,649 -0.192,650 -0.162,651 0.58,652 0.036,653 0.593,654 0.185,655 0.606,656 0.354,657 1.259,658 2.05,659 0.818,660 14.281,661 1.02,662 1.141,663 2.662,664 7.084,665 0.679,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.67,678 295.34,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 20,693 1,697 1,699 5,703 4,704 4,705 5,707 1,709 3,710 1,711 20,722 1,731 35,733 20,734 1,735 25,737 38,738 14,739 11,740 3,741 3,746 4,747 6,752 2,758 1,761 11,762 3,777 1,778 1,781 13,782 7,783 2,784 8,790 7,794 0.5,795 1,803 1,806 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,870 2.9,875 1,877 11,878 7.117,879 4.694,880 2.114,881 4.036,882 1.548,883 1.021,884 2.842,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.033,900 3.474,901 7.75,902 15.159,904 12.541,905 2.25,906 49.5,910 129.482,911 71.545,912 124.101,914 9.961,917 71.545,918 139.443,919 124.101,920 17.65,922 61.326,923 102.914,924 33.16,925 2.328,926 117.711,928 129.482,929 195.646,930 9.961,933 58.856,934 80.588,937 36.806,938 69.412,939 89.427,941 129.482,942 134.062,943 71.545,946 129.482,947 16.847,948 56.474,950 132.285,951 129.482,952 134.062,953 71.545,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.053,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.165,975 4.75,976 1.976,977 2.823,978 132.285,979 7.06,980 20.748,982 4.735,984 2.006,985 1.841,986 32.897,987 335.089,988 35,999 35.691,1000 39.943,1001 0.326,1002 0.764,1003 0.843,1004 0.88,1005 0.891,1006 0.891,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.239,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.895,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.828,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.325,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.747,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.609,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.846,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.868,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 12.04,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.134,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.287,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.412,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.562,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.704,1133 4398,1134 7743,1135 16.819,1136 23.779,1137 39.193,1138 38.662,1139 40.034,1140 38.784,1141 38.753,1142 54.225,1144 117.881,1145 37.204,1146 5.437,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.221,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.551,1160 1.55,1161 2.169,1163 4.715,1164 1.488,1165 4.153,1166 4.196,1167 4.136,1168 4.019,1169 5.399,1170 4.041,1171 3.974,1172 4.011,1173 3.954,1174 3.805,1175 5.249,1176 3.834,1177 3.577,1178 3.655,1179 3.445,1180 3.408,1181 4.866,1182 3.401,1183 3.337,1184 3.386,1185 3.293,1186 3.089,1187 4.554,1188 3.136,1189 3.1,1190 3.187,1191 2.993,1192 2.837,1193 4.375,1194 2.862,1195 2.983,1196 3.082,1197 2.865,1198 2.713,1199 4.054,1200 2.74,1201 2.874,1202 3.009,1203 2.734,1204 2.646,1205 3.846,1206 2.668,1207 2.846,1208 2.915,1209 2.499,1210 2.618,1211 3.674,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.303,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.221,1231 1.946,1232 1.924,1233 2.008,1234 2.041,1235 1.161,1236 2.027,1237 1.802,1238 1.753,1239 1.946,1240 1.99,1241 1.13,1242 1.976,1243 1.615,1244 1.55,1245 1.773,1246 1.813,1247 0.843,1248 1.813,1249 1.165,1250 1.109,1251 1.417,1252 1.494,1253 0.469,1254 1.393,1255 1.033,1256 0.989,1257 1.269,1258 1.401,1259 0.288,1260 1.342,1261 0.934,1262 0.804,1263 1.195,1264 1.239,1265 0.196,1266 1.308,1267 0.886,1268 0.793,1269 1.126,1270 1.222,1271 0.037,1272 1.204,1273 0.763,1274 0.683,1275 0.99,1276 1.066,1278 1.053,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.082,1293 6.05,1299 0.156,1305 23.445,1306 58.465,1307 137.119,1308 151.26,1309 158.015,1310 160.015,1311 160.015,1312 26.662,1313 7.358,1314 108.54,1315 108.54,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 143.627,1325 222.39,1326 342.209,1327 14040,1329 15.267,1330 0.694,1331 0.548,1332 15.267,1333 12.056,1334 10.648,1335 0.426,1336 0.275,1337 6.733,1338 10.061,1339 6.552,1340 5.468,1341 10.648,1342 6.863,1343 9.981,1344 0.27,1345 0.144,1346 9.981,1347 5.312,1348 8.729,1349 0.165,1350 0.067,1351 8.729,1352 3.534,1353 7.769,1354 0.104,1355 0.033,1356 7.769,1357 2.487,1358 6.227,1359 0.066,1360 0.018,1361 6.227,1362 1.677,1363 0.361,1364 67.938,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 388.918,1370 139.812,1371 378.75,1372 536.09,1373 354,1374 152,1375 435.066,1376 169.975,1377 431.475,1378 630.4,1379 405,1380 5.469}
{0 CHEMBL1241578,1 1.752,2 7.286,3 2.907,4 8.451,5 85.88,6 9.949,7 0.696,8 3.687,9 3.809,10 3.494,11 3.235,12 4.891,13 3.224,14 4.163,15 4.332,16 3.945,17 3.628,18 5.317,19 3.601,20 4.377,21 4.558,22 4.147,23 3.75,24 5.569,25 3.713,26 4.456,27 4.672,28 3.885,29 3.737,30 5.608,31 3.674,32 4.364,33 4.571,34 3.72,35 3.659,36 5.472,37 3.594,38 4.32,39 4.512,40 3.836,41 3.624,42 5.49,43 3.546,44 4.408,45 4.667,46 3.761,47 3.53,48 5.546,49 3.368,50 4.186,51 4.494,52 3.702,53 3.169,54 5.154,55 2.948,56 0.101,57 0.563,58 4.3,59 2.807,60 11.518,61 3.319,62 0.187,63 0.873,64 10.428,65 4.87,66 18.28,67 6.055,68 0.304,69 1.023,70 20.095,71 6.005,72 26.144,73 7.013,74 0.393,75 1.077,76 27.945,77 6.742,78 37.019,79 8.256,80 0.315,81 0.988,82 12.244,83 5.278,84 30.928,85 6.79,86 0.253,87 0.932,88 12.21,89 5.405,90 24.404,91 6.935,92 0.45,93 0.868,94 20.942,95 6.538,96 56.835,97 8.649,98 0.355,99 0.562,100 27.882,101 6.394,102 42.464,103 8.525,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.946,114 -4.77,115 -4.68,116 -4.4,117 1,119 40,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 5,185 1,186 1,187 5,192 3,195 5,198 2,199 7,201 3,202 3,204 2,207 4,209 1,212 5,215 1,217 3,220 2,222 2,224 5,227 1,229 3,232 5,234 3,237 1,240 2,241 1,244 1,245 2,250 2,255 3,260 1,271 2,275 530,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 11.84,282 12.041,283 7.818,284 14.207,285 11.301,286 11.301,287 11.301,288 11.301,289 11.301,290 8.368,291 8.742,292 3.657,293 12.095,294 3.378,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.777,303 1,304 1,305 1,306 323,307 2.646,310 39.793,311 107.231,314 76.128,318 1.061,319 20.74,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 45.25,331 153,332 4.76,333 3.381,334 7.039,335 4.301,336 3.338,337 4.732,339 12.086,340 3.216,341 4.216,342 3.154,343 6.179,344 3.763,345 2.827,346 3.879,348 8.977,349 2.641,350 3.814,351 2.684,352 5.927,353 3.476,354 2.533,355 3.214,357 8.067,358 2.378,359 3.679,360 2.447,361 5.657,362 3.249,363 2.321,364 3.085,366 7.235,367 2.095,368 3.03,369 1.87,370 4.819,371 2.683,372 1.743,373 2.244,375 4.818,376 1.635,377 2.98,378 1.815,379 4.469,380 2.442,381 1.508,382 2.126,384 4.123,385 1.404,386 2.82,387 1.53,388 4.039,389 2.341,390 1.414,391 1.948,393 3.512,394 1.255,395 2.521,396 1.091,397 3.86,398 2.002,399 1.062,400 1.531,402 2.758,403 0.987,404 2.127,405 0.87,406 3.49,407 1.771,408 0.815,409 1.033,411 2.05,412 0.768,413 1.371,414 0.572,415 2.736,416 0.906,417 0.103,418 0.124,420 0.227,421 0.063,422 1.058,423 -0.149,424 2.427,425 0.616,426 -0.294,427 -0.374,428 -0.685,429 -0.267,430 0.781,431 -0.291,432 2.375,433 0.35,434 -0.595,435 -0.77,436 -1.604,437 -0.525,438 0.621,439 -0.713,440 2.256,441 0.103,442 -0.815,443 -1,445 -2,446 -0.684,447 0.227,448 -0.859,449 2.131,451 -1,452 -1.114,454 -2.268,455 -0.861,457 -1,458 1.805,459 -0.157,460 -1.062,461 -1.285,463 -3.043,464 -1,465 10.667,466 0.508,467 0.686,468 0.033,469 28.75,470 1.369,471 15,472 0.714,473 13.75,474 0.655,475 17.327,476 0.825,477 21.733,478 0.621,479 18.509,480 0.881,481 5.275,482 0.251,483 4.712,484 0.224,485 0.288,487 0.413,493 0.937,494 1.202,495 0.486,496 0.754,497 1.093,498 0.786,499 0.689,500 1.069,501 0.534,502 0.719,503 0.55,504 0.715,505 1.046,506 1.206,507 0.875,508 0.943,509 0.843,510 0.875,511 0.956,512 0.931,513 0.945,514 0.945,515 0.849,516 0.942,517 1.073,518 1.084,519 0.394,520 0.787,521 0.874,522 1.012,523 0.886,524 1.336,525 0.566,526 1.08,527 0.975,528 1.222,529 0.836,530 0.879,531 0.697,532 0.925,533 1.034,534 1.123,535 0.853,536 0.687,537 0.891,538 0.896,539 1.096,540 0.841,541 4.5,543 3.111,544 2.042,545 1.807,546 0.827,547 0.566,548 0.386,549 0.148,550 0.016,551 3654,552 12107,553 2.018,554 40,556 4,558 1,559 3,561 6,564 1.64,565 1.826,566 2.878,567 1.156,569 1,571 1,573 61.309,574 1.752,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.244,581 4.202,582 4.364,583 2.982,584 626.115,585 7.519,586 6413.99,587 1,588 1,589 1,590 1,591 179.525,592 1.545,593 4.289,594 0.196,596 0.092,597 0.057,598 0.055,599 0.03,600 0.022,601 0.023,602 0.015,603 0.005,604 0.493,605 0.33,606 1,607 0.911,608 91.933,609 -0.098,610 -0.026,611 -0.006,612 0.044,613 -0.229,614 0.042,615 0.101,616 0.039,617 0.061,618 0.12,619 0.12,620 0.173,621 -0.066,622 -0.134,623 0.008,624 -0.029,625 0.025,626 0.022,627 -0.019,628 0.111,629 -0.102,630 -0.047,631 -0.004,632 -0.024,633 -0.191,634 -0.012,635 -0.035,636 -0.044,637 -0.078,638 -0.148,639 -0.037,640 -0.288,641 -0.017,642 -0.263,643 -0.082,644 -0.33,645 0.121,646 0.035,647 0.045,648 -0.026,649 0.025,650 -0.137,651 0.219,652 0.003,653 0.232,654 0.199,655 0.154,656 0.32,657 1.518,658 3.875,659 0.714,660 13.56,661 1.014,662 1.132,663 3.54,664 12.533,665 0.704,666 3.178,667 3.555,668 3.871,669 4.174,670 4.443,671 4.564,672 4.625,673 4.71,674 4.644,675 4.511,676 4.558,677 0.671,678 348.23,679 3.178,680 4.745,681 5.624,682 6.535,683 7.441,684 8.36,685 9.275,686 10.198,687 11.117,688 12.041,689 14.3,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,733 16,734 1,735 23,736 1,737 37,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,781 14,782 5,783 3,784 7,785 1,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,843 1,844 2,848 21,849 1,853 1,858 1,869 1,870 2.9,872 1,877 11.5,878 6.893,879 4.528,880 2.033,881 3.139,882 1.457,883 0.973,884 3.593,885 10.002,886 3.466,887 4.171,888 4.859,889 5.531,890 6.123,891 6.526,892 6.946,893 7.39,894 7.628,895 7.866,896 0.8,897 36,898 7.702,900 3.287,901 7.821,902 14.481,904 11.813,905 2.321,906 48.75,910 129.482,911 70.311,912 130.862,914 42.683,917 116.265,918 172.165,919 84.908,920 17.65,922 61.326,923 106.404,924 21.966,925 2.328,926 117.711,927 45.954,928 129.482,929 155.219,930 42.683,932 45.954,933 58.856,934 113.31,937 32.518,938 72.467,939 50.234,940 45.954,941 129.482,942 127.591,943 116.265,946 129.482,947 15.614,948 56.474,949 45.954,950 125.815,951 129.482,952 127.591,953 116.265,955 0.599,956 0.36,957 0.193,958 0.114,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.144,966 170.795,967 0.133,968 15,969 90.239,974 14.295,975 5.279,976 2.385,977 1.392,978 125.815,979 6.706,980 12.933,984 2.587,985 1.807,986 75.581,987 373.339,988 31,999 35.483,1000 39.619,1001 0.342,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.718,1008 1.062,1009 5.652,1010 3.512,1011 4.234,1012 4.856,1014 6.538,1015 4.11,1016 5.979,1017 0.815,1018 7.266,1019 2.758,1020 4.007,1021 4.856,1023 7.597,1024 3.806,1025 7.325,1026 0.103,1027 8.98,1028 2.05,1029 5.9,1030 7.201,1032 10.742,1033 5.683,1034 8.712,1035 -0.294,1036 10.751,1037 0.227,1038 6.463,1039 8.029,1041 12.635,1042 6.182,1043 10.132,1044 -0.595,1045 12.558,1046 -0.685,1047 7.886,1048 9.879,1050 15.326,1051 7.589,1052 11.577,1053 -0.815,1054 14.391,1055 -1.604,1056 8.796,1057 11.093,1059 17.569,1060 8.45,1061 13.041,1062 -1,1063 16.242,1064 -2,1065 10.054,1066 12.75,1068 20.115,1069 9.686,1070 3.338,1071 -1.062,1072 18.109,1073 -2.268,1074 11.117,1075 14.146,1077 22.504,1078 10.711,1079 2.827,1080 12.086,1081 19.987,1082 -3.043,1083 12.32,1084 15.729,1086 25.007,1087 11.887,1088 2.533,1089 8.977,1090 21.876,1091 4.732,1092 13.453,1093 17.208,1095 27.456,1096 12.985,1097 2.321,1098 8.067,1099 23.773,1100 3.879,1101 14.641,1102 18.765,1104 29.947,1105 14.144,1106 1.743,1107 7.235,1108 25.677,1109 3.214,1110 15.807,1111 20.281,1113 32.421,1114 15.277,1115 1.508,1116 4.818,1117 27.587,1118 3.085,1119 16.995,1120 21.831,1122 34.91,1123 16.434,1124 1.414,1125 4.123,1126 29.503,1127 2.244,1128 18.176,1129 23.366,1131 37.394,1132 17.582,1133 3681,1134 6819,1135 14.74,1136 24.642,1137 35.678,1138 36.097,1139 37.742,1140 35.384,1141 35.327,1142 47.83,1144 107.705,1145 32.885,1146 5.427,1147 5.381,1148 6.567,1149 5.374,1150 5.338,1151 7.732,1153 19.551,1154 5.216,1155 12.257,1156 1.551,1157 1.569,1158 1.641,1159 1.538,1160 1.536,1161 2.08,1163 4.683,1164 1.43,1165 4.132,1166 4.178,1167 6.88,1168 4,1169 6.469,1170 4.018,1171 3.838,1172 3.859,1173 4.108,1174 3.76,1175 5.254,1176 3.758,1177 3.576,1178 3.654,1179 3.698,1180 3.407,1181 4.873,1182 3.399,1183 3.209,1184 3.286,1185 3.445,1186 3.037,1187 4.618,1188 3.036,1189 3.005,1190 3.112,1191 3.085,1192 2.746,1193 4.452,1194 2.752,1195 2.93,1196 3.009,1197 2.877,1198 2.729,1199 4.073,1200 2.74,1201 2.874,1202 2.97,1203 2.804,1204 2.65,1205 3.74,1206 2.639,1207 2.774,1208 2.824,1209 2.514,1210 2.618,1211 3.588,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.381,1222 7.039,1223 0.525,1224 4.301,1225 0.14,1226 3.338,1227 4.732,1229 12.086,1230 3.216,1231 1.925,1232 1.908,1233 1.974,1234 2.034,1235 1.154,1236 2.014,1237 1.794,1238 1.748,1239 1.941,1240 1.968,1241 1.111,1242 1.963,1243 1.609,1244 1.547,1245 1.76,1246 1.801,1247 0.831,1248 1.804,1249 1.142,1250 1.091,1251 1.417,1252 1.399,1253 0.469,1254 1.369,1255 0.934,1256 0.839,1257 1.243,1258 1.239,1259 0.275,1260 1.308,1261 0.883,1262 0.804,1263 1.148,1264 1.219,1265 0.14,1266 1.201,1267 0.876,1268 0.785,1269 1.102,1270 1.134,1271 0.035,1272 1.13,1273 0.761,1274 0.672,1275 0.989,1276 1.053,1278 1.048,1279 3.85,1281 5.209,1282 2.398,1283 6.767,1284 4.844,1285 8.418,1286 7.081,1287 10.117,1288 3.27,1289 4.043,1293 6,1294 9.875,1299 0.139,1305 23.481,1306 61.309,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 32.555,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.867,1321 56,1322 59,1323 0.289,1324 152.273,1325 245.57,1326 363.306,1327 7124,1328 2.9,1329 15.146,1330 0.721,1331 0.627,1332 16.146,1333 13.164,1334 9.986,1335 0.434,1336 0.315,1337 6.418,1338 9.059,1339 6.163,1340 5.141,1341 10.563,1342 7.256,1343 9.485,1344 0.279,1345 0.172,1346 10.226,1347 5.865,1348 8.038,1349 0.171,1350 0.083,1351 8.895,1352 3.897,1353 6.619,1354 0.103,1355 0.039,1356 6.922,1357 2.464,1358 5.55,1359 0.066,1360 0.021,1361 5.939,1362 1.786,1363 0.427,1364 71.008,1365 0.26,1366 20.069,1367 0.881,1368 114,1369 336.697,1370 191.411,1371 368.887,1372 501.13,1373 342,1374 138,1375 359.057,1376 186.418,1377 375.745,1378 553.82,1379 353,1380 7.337}
{0 CHEMBL1241579,1 1.766,2 7.773,3 1.645,4 2.707,5 86.264,6 8.616,7 0.667,8 3.748,9 3.88,10 3.417,11 3.244,12 4.982,13 3.251,14 4.218,15 4.388,16 3.822,17 3.637,18 5.395,19 3.627,20 4.456,21 4.648,22 3.974,23 3.76,24 5.687,25 3.742,26 4.537,27 4.757,28 3.851,29 3.764,30 5.732,31 3.722,32 4.486,33 4.712,34 3.723,35 3.715,36 5.605,37 3.661,38 4.407,39 4.601,40 3.74,41 3.674,42 5.603,43 3.618,44 4.491,45 4.74,46 3.599,47 3.584,48 5.725,49 3.464,50 4.348,51 4.649,52 3.301,53 3.257,54 5.444,55 3.088,56 0.139,57 0.601,58 6.424,59 2.733,60 16.976,61 3.436,62 0.232,63 0.906,64 12.066,65 4.705,66 24.714,67 6.226,68 0.416,69 1.051,70 18.975,71 5.751,72 40.198,73 7.691,74 0.505,75 1.111,76 21.989,77 6.08,78 49.822,79 8.318,80 0.416,81 1.059,82 17.939,83 5.661,84 41.53,85 8.042,86 0.326,87 0.984,88 15.312,89 5.365,90 31.247,91 7.414,92 0.527,93 0.889,94 20.967,95 6.262,96 65.82,97 9.002,98 0.514,99 0.596,100 23.898,101 5.831,102 65.467,103 8.554,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.885,114 -3.89,115 -3.84,116 -3.65,119 37.8,120 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 3,174 2,175 6,177 1,178 1,180 2,183 4,185 1,186 1,187 4,189 1,190 1,192 4,195 5,197 1,198 2,199 6,201 4,202 4,204 2,207 3,209 1,212 5,214 1,215 2,217 4,220 1,222 3,224 4,227 1,229 3,232 3,234 3,237 1,239 1,240 3,241 2,242 2,244 3,245 1,247 2,248 1,250 2,255 3,260 2,267 1,270 1,271 1,275 608,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.71,282 11.546,283 8.322,284 15.057,285 11.722,286 11.722,287 11.722,288 11.722,289 11.722,290 8.795,291 7.976,292 3.816,293 12.484,294 3.444,295 1.034,296 0.419,297 0.291,298 0.291,299 0.291,300 3.821,301 1,303 1,304 1,305 1,306 359,307 2.828,310 42.576,311 113.692,314 81.322,318 1.087,319 26.268,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48.333,331 171,332 4.761,333 3.387,334 7.044,335 4.304,336 3.341,337 4.732,339 12.109,340 3.219,341 4.217,342 3.176,343 6.209,344 3.772,345 2.832,346 3.88,348 9.083,349 2.66,350 3.836,351 2.73,352 5.947,353 3.519,354 2.573,355 3.225,357 8.175,358 2.424,359 3.679,360 2.453,361 5.667,362 3.255,363 2.322,364 3.085,366 7.27,367 2.12,368 3.089,369 1.92,370 4.927,371 2.764,372 1.824,373 2.253,375 5.132,376 1.711,377 2.992,378 1.87,379 4.469,380 2.444,381 1.509,382 2.188,384 4.128,385 1.406,386 2.82,387 1.531,388 4.047,389 2.346,390 1.414,391 1.948,393 3.513,394 1.279,395 2.542,396 1.144,397 4.023,398 2.045,399 1.095,400 1.559,402 2.94,403 1.036,404 2.26,405 1.056,406 3.595,407 1.868,408 0.936,409 1.196,411 2.287,412 0.861,413 1.372,414 0.599,415 2.736,416 1.104,417 0.172,418 0.181,420 0.257,421 0.158,422 1.228,423 0.392,424 2.576,425 0.924,426 0.098,427 0.118,428 0.198,429 0.07,430 1.039,431 -0.158,432 2.387,433 0.609,434 -0.302,435 -0.383,436 -0.695,437 -0.274,438 0.78,439 -0.286,440 2.373,441 0.35,442 -0.595,443 -0.77,445 -1.604,446 -0.539,447 0.609,448 -0.711,449 2.205,450 0.103,451 -0.82,452 -1.105,454 -2.254,455 -0.714,456 0.22,457 -0.867,458 2,459 -0.141,460 -1.059,461 -1.255,463 -2.822,464 -0.892,465 10.448,466 0.475,467 0.648,468 0.029,469 29.75,470 1.352,471 15,472 0.682,473 14.75,474 0.67,475 16.738,476 0.761,477 23.752,478 0.642,479 21.439,480 0.974,481 5.818,482 0.264,483 4.706,484 0.214,485 0.225,487 0.421,493 0.975,494 1.226,495 0.633,496 0.833,497 1.125,498 0.789,499 0.732,500 1.138,501 0.597,502 0.855,503 0.642,504 0.791,505 0.933,506 1.188,507 0.806,508 0.945,509 0.755,510 0.86,511 1.01,512 0.924,513 1.018,514 0.94,515 0.917,516 0.957,517 0.908,518 1.054,519 0.735,520 0.885,521 0.739,522 0.969,523 0.857,524 1.388,525 0.859,526 1.254,527 0.911,528 1.258,529 0.742,530 0.973,531 0.912,532 1.104,533 0.883,534 1.202,535 0.977,536 0.709,537 0.874,538 0.889,539 1.218,540 0.924,541 4.5,543 3.333,544 2.042,545 1.807,546 0.907,547 0.627,548 0.414,549 0.185,550 0.051,551 4133,552 14018,553 2.017,554 40.5,556 6,558 1,559 5,561 3,564 1.654,565 1.833,566 2.953,567 2.824,568 1,569 1,571 1,573 65.334,574 1.766,575 4.175,576 4.79,577 4.919,578 4.919,579 4.919,580 2.392,581 4.459,582 4.43,583 3.047,584 703.914,585 7.655,586 7464.11,587 1,588 1,590 1,591 192.75,592 1.544,593 4.36,594 0.188,596 0.095,597 0.054,598 0.052,599 0.029,600 0.022,601 0.02,602 0.015,603 0.01,604 0.484,605 0.33,606 1,607 1.094,608 98.203,609 -0.16,610 0.021,611 -0.014,612 0.107,613 -0.264,614 0.084,615 0.032,616 0.021,617 0.117,618 0.1,619 0.036,620 0.133,621 0.007,622 -0.117,623 0.079,624 0.01,625 0.092,626 0.07,627 -0.079,628 0.135,629 -0.135,630 -0.026,631 -0.074,632 -0.042,633 -0.104,635 -0.058,636 0.011,637 -0.01,638 -0.039,639 -0.051,640 -0.3,641 -0.14,642 -0.328,643 -0.087,644 -0.336,645 0.171,646 -0.038,647 -0.025,648 -0.164,649 0.115,650 -0.222,651 0.105,652 0.019,653 0.251,654 0.114,655 0.016,656 0.154,657 1.691,658 3.816,659 0.682,660 15.364,661 1.018,662 1.141,663 2.656,664 7.052,665 0.68,666 3.219,667 3.584,668 3.912,669 4.205,670 4.477,671 4.615,672 4.71,673 4.787,674 4.736,675 4.615,676 4.739,677 0.657,678 318.8,679 3.219,680 4.779,681 5.659,682 6.567,683 7.474,684 8.391,685 9.308,686 10.23,687 11.151,688 12.075,689 16.2,690 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 24,737 39,738 14,739 11,740 3,741 3,746 3,747 4,748 1,752 2,758 1,761 11,762 3,777 1,778 1,781 15,782 6,783 5,784 8,785 1,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,833 1,840 2,844 1,845 1,848 22,849 2,853 1,854 1,858 1,869 1,870 2.7,872 1,877 12,878 6.726,879 4.861,880 2.033,881 3.124,882 1.45,883 0.973,884 3.908,885 10.069,886 3.497,887 4.186,888 4.874,889 5.543,890 6.137,891 6.548,892 6.983,893 7.424,894 7.67,895 7.911,896 1,897 38,898 8.062,900 3.469,901 7.937,902 14.981,904 12.231,905 2.437,906 53.611,910 117.711,911 64.037,912 117.805,913 39.149,914 42.683,917 64.037,918 199.543,919 117.805,920 8.825,921 35.003,922 61.326,923 106.404,924 22.411,925 2.328,926 105.94,927 39.149,928 117.711,929 181.842,930 42.683,931 39.149,933 82.398,934 77.997,937 58.695,938 72.913,939 89.383,941 117.711,942 160.488,943 103.186,946 117.711,947 18.165,948 47.649,950 197.86,951 117.711,952 160.488,953 103.186,955 0.592,956 0.365,957 0.193,958 0.113,959 18,960 9,961 0.077,962 3,963 1,964 1.133,965 3.229,966 181.498,967 0.133,968 15,969 98.107,974 15.03,975 5.721,976 2.531,977 1.236,978 158.712,979 6.285,980 12.85,984 1.831,985 1.717,986 108.478,987 381.385,988 32,999 37.68,1000 42.219,1001 0.339,1002 0.801,1003 0.92,1004 0.944,1005 0.944,1006 0.944,1007 4.745,1008 1.095,1009 5.68,1010 3.513,1011 4.263,1012 4.871,1014 6.564,1015 4.145,1016 5.996,1017 0.936,1018 7.292,1019 2.94,1020 4.007,1021 4.856,1023 7.621,1024 3.819,1025 7.34,1026 0.172,1027 9.005,1028 2.287,1029 5.927,1030 7.208,1032 10.768,1033 5.719,1034 8.726,1035 0.098,1036 10.775,1037 0.257,1038 6.479,1039 8.032,1041 12.66,1042 6.211,1043 10.144,1044 -0.302,1045 12.582,1046 0.198,1047 7.909,1048 9.882,1050 15.353,1051 7.622,1052 11.588,1053 -0.595,1054 14.414,1055 -0.695,1056 8.815,1057 11.096,1059 17.594,1060 8.48,1061 13.051,1062 -0.82,1063 16.265,1064 -1.604,1065 10.074,1066 12.752,1068 20.141,1069 9.715,1070 3.341,1071 -1.059,1072 18.131,1073 -2.254,1074 11.137,1075 14.148,1077 22.53,1078 10.738,1079 2.832,1080 12.109,1081 20.009,1082 -2.822,1083 12.34,1084 15.73,1086 25.033,1087 11.913,1088 2.573,1089 9.083,1090 21.898,1091 4.732,1092 13.472,1093 17.209,1095 27.483,1096 13.01,1097 2.322,1098 8.175,1099 23.794,1100 3.88,1101 14.661,1102 18.766,1104 29.975,1105 14.168,1106 1.824,1107 7.27,1108 25.698,1109 3.225,1110 15.826,1111 20.283,1113 32.449,1114 15.299,1115 1.509,1116 5.132,1117 27.609,1118 3.085,1119 17.014,1120 21.832,1122 34.94,1123 16.455,1124 1.414,1125 4.128,1126 29.525,1127 2.253,1128 18.196,1129 23.367,1131 37.425,1132 17.603,1133 4172,1134 7793,1135 15.433,1136 25.154,1137 36.468,1138 37.202,1139 39.356,1140 36.26,1141 36.236,1142 48.731,1144 110.184,1145 33.888,1146 5.486,1147 5.387,1148 6.587,1149 5.377,1150 5.341,1151 7.732,1153 19.605,1154 5.219,1155 12.74,1156 1.519,1157 1.55,1158 1.64,1159 1.511,1160 1.51,1161 2.03,1163 4.591,1164 1.412,1165 4.133,1166 4.18,1167 4.131,1168 3.996,1169 6.471,1170 4.018,1171 3.841,1172 3.862,1173 3.947,1174 3.746,1175 5.257,1176 3.754,1177 3.608,1178 3.687,1179 3.483,1180 3.426,1181 5.012,1182 3.425,1183 3.233,1184 3.324,1185 3.352,1186 3.01,1187 4.88,1188 3.034,1189 3.052,1190 3.165,1191 3.059,1192 2.754,1193 4.804,1194 2.776,1195 2.993,1196 3.11,1197 2.873,1198 2.746,1199 4.511,1200 2.747,1201 2.93,1202 2.971,1203 2.804,1204 2.688,1205 4.216,1206 2.69,1207 2.784,1208 2.837,1209 2.734,1210 2.624,1211 3.876,1212 2.626,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.761,1219 0.197,1220 3.387,1222 7.044,1223 0.505,1224 4.304,1225 0.134,1226 3.341,1227 4.732,1229 12.109,1230 3.219,1231 1.924,1232 1.907,1233 1.979,1234 2.037,1235 1.176,1236 2.016,1237 1.795,1238 1.748,1239 1.933,1240 1.976,1241 1.11,1242 1.969,1243 1.618,1244 1.556,1245 1.762,1246 1.82,1247 0.829,1248 1.815,1249 1.154,1250 1.097,1251 1.449,1252 1.467,1253 0.475,1254 1.447,1255 1.028,1256 0.902,1257 1.252,1258 1.345,1259 0.262,1260 1.357,1261 0.883,1262 0.839,1263 1.15,1264 1.221,1265 0.139,1266 1.203,1267 0.877,1268 0.785,1269 1.108,1270 1.135,1271 0.033,1272 1.13,1273 0.766,1274 0.673,1275 1.016,1276 1.067,1278 1.065,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.445,1286 7.081,1287 10.143,1289 1.938,1290 5.854,1293 11.725,1294 9.816,1295 0.409,1299 -0.05,1305 24.305,1306 65.334,1307 154.485,1308 177.24,1309 181.995,1310 181.995,1311 181.995,1312 38.844,1313 6.945,1314 115.87,1315 115.87,1316 17,1317 12.581,1318 4.087,1319 3.17,1320 34.119,1321 61,1322 64,1323 0.284,1324 155.486,1325 252.5,1326 371.146,1327 7880,1328 2.7,1329 15.853,1330 0.721,1331 0.574,1332 16.353,1333 12.619,1334 10.524,1335 0.439,1336 0.295,1337 6.625,1338 9.805,1339 6.442,1340 5.341,1341 10.813,1342 7.08,1343 9.626,1344 0.275,1345 0.155,1346 9.997,1347 5.409,1348 8.556,1349 0.175,1350 0.078,1351 8.985,1352 3.816,1353 6.809,1354 0.103,1355 0.036,1356 6.961,1357 2.382,1358 5.709,1359 0.066,1360 0.019,1361 5.904,1362 1.675,1363 0.42,1364 69.393,1365 0.255,1366 20.956,1367 0.861,1368 118,1369 357.558,1370 145.753,1371 381.836,1372 517.19,1373 354,1374 143,1375 371.609,1376 168.842,1377 384.849,1378 567.96,1379 362,1380 5.79}
{0 CHEMBL1241580,1 1.739,2 7.773,3 3.043,4 9.258,5 85.707,6 8.772,7 0.64,8 3.738,9 3.855,10 3.441,11 3.293,12 4.91,13 3.293,14 4.226,15 4.385,16 3.823,17 3.676,18 5.359,19 3.653,20 4.446,21 4.644,22 3.945,23 3.75,24 5.619,25 3.724,26 4.432,27 4.634,28 3.829,29 3.722,30 5.603,31 3.69,32 4.381,33 4.581,34 3.703,35 3.693,36 5.485,37 3.649,38 4.366,39 4.555,40 3.722,41 3.674,42 5.508,43 3.616,44 4.424,45 4.662,46 3.568,47 3.583,48 5.563,49 3.461,50 4.263,51 4.546,52 3.28,53 3.257,54 5.299,55 3.085,56 0.109,57 0.587,58 5.779,59 2.87,60 12.391,61 3.413,62 0.192,63 0.915,64 11.146,65 4.956,66 18.385,67 6.274,68 0.374,69 1.039,70 19.127,71 6.093,72 38.22,73 7.835,74 0.413,75 1.058,76 19.128,77 5.705,78 37.458,79 7.26,80 0.33,81 1.017,82 14.349,83 5.13,84 31.461,85 6.626,86 0.301,87 0.972,88 14.187,89 5.342,90 28.795,91 6.907,92 0.435,93 0.893,94 19.026,95 6.364,96 52.878,97 8.675,98 0.429,99 0.618,100 21.458,101 6.072,102 53.164,103 8.332,104 10,105 37,106 0.313,107 0.725,108 0.809,109 0.861,110 0.861,111 0.861,112 3.149,113 0.9,114 -4.89,115 -4.8,116 -4.5,119 41.7,121 3,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 2,183 5,185 1,186 1,187 6,192 3,195 5,198 2,199 8,201 3,202 3,204 2,207 4,209 1,212 6,215 1,217 3,220 3,222 2,224 5,227 1,229 3,232 6,234 3,237 2,240 2,241 1,242 1,244 1,245 4,247 1,250 2,255 3,258 1,260 1,268 1,271 2,275 604,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.995,282 12.009,283 8.539,284 15.322,285 12.321,286 12.321,287 12.321,288 12.321,289 12.321,290 9.401,291 8.708,292 4.025,293 13.053,294 3.431,295 1.143,296 0.674,297 0.389,298 0.389,299 0.389,300 3.838,301 1,303 1,304 1,305 1,306 378,307 2.121,309 40.578,310 41.015,311 111.803,314 78.94,318 1.087,319 23.556,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.833,331 171,332 4.764,333 3.397,334 7.051,335 4.312,336 3.35,337 4.733,339 12.147,340 3.226,341 4.219,342 3.179,343 6.266,344 3.797,345 2.848,346 3.88,348 9.331,349 2.706,350 3.891,351 2.81,352 5.973,353 3.622,354 2.67,355 3.249,357 8.332,358 2.53,359 3.681,360 2.456,361 5.682,362 3.257,363 2.324,364 3.086,366 7.322,367 2.121,368 3.255,369 2.044,370 5.096,371 2.943,372 1.994,373 2.39,375 5.746,376 1.888,377 2.996,378 1.879,379 4.469,380 2.445,381 1.512,382 2.232,384 4.137,385 1.406,386 2.82,387 1.533,388 4.246,389 2.347,390 1.414,391 1.948,393 3.514,394 1.28,395 2.613,396 1.296,397 4.038,398 2.194,399 1.235,400 1.656,402 3.474,403 1.181,404 2.407,405 1.077,406 3.653,407 1.937,408 1.011,409 1.376,411 2.499,412 0.923,413 1.441,414 0.602,415 2.974,416 1.295,417 0.316,418 0.348,420 0.782,421 0.307,422 1.366,423 0.347,424 2.736,425 1,426 0.1,427 0.121,428 0.222,429 0.071,430 1.041,432 2.618,433 0.924,438 1,439 -0.168,440 2.417,441 0.605,442 -0.307,443 -0.39,445 -0.714,446 -0.279,447 0.78,448 -0.288,449 2.375,450 0.35,451 -0.595,452 -0.771,454 -1.604,455 -0.539,456 0.599,457 -0.715,458 2.241,459 0.088,460 -0.835,461 -1.142,463 -2.341,464 -0.72,465 10.548,466 0.479,467 0.61,468 0.028,469 30,470 1.364,471 15,472 0.682,473 15,474 0.682,475 16.472,476 0.749,477 23.052,478 0.64,479 19.946,480 0.907,481 5.52,482 0.251,483 5.128,484 0.233,485 0.137,487 0.417,493 0.866,494 1.166,495 0.588,496 0.828,497 0.944,498 0.778,499 0.672,500 1.18,501 0.632,502 0.96,503 0.534,504 0.907,505 0.915,506 1.174,507 0.776,508 0.911,509 0.733,510 0.822,511 1.047,512 0.95,513 1.026,514 0.921,515 0.924,516 0.913,517 1.008,518 1.085,519 0.781,520 0.893,521 0.825,522 0.991,523 0.872,524 1.245,525 0.857,526 1.153,527 0.962,528 1.189,529 0.732,530 0.997,531 0.908,532 1.102,533 0.888,534 1.192,535 0.937,536 0.706,537 0.902,538 0.959,539 1.195,540 0.989,541 4,542 0.012,543 3,544 1.917,545 1.669,546 0.705,547 0.505,548 0.376,549 0.16,550 0.061,551 4612,552 13937,553 2.148,554 38.9,555 2,556 4,558 1,559 3,561 4,564 1.653,565 2,566 2.955,567 1.114,568 1,569 1,571 1,573 62.601,574 1.739,575 4.027,576 4.496,577 4.781,578 4.781,579 4.781,580 2.392,581 4.369,582 4.43,583 3.05,584 704.529,585 7.653,586 7446.13,587 1,588 1,589 1,590 1,591 186.117,592 1.437,593 4.388,594 0.16,595 0.012,596 0.086,597 0.052,598 0.048,599 0.023,600 0.017,601 0.018,602 0.013,603 0.012,604 0.441,605 0.33,606 1,607 0.595,608 98.167,609 -0.093,610 0.012,611 0.003,612 0.076,613 -0.137,614 0.066,615 0.065,616 -0.068,617 0.06,618 -0.041,619 0.105,620 -0.012,621 0.034,622 -0.155,623 0.13,624 0.031,625 0.138,626 0.116,627 -0.078,628 0.125,629 -0.131,630 -0.019,631 -0.061,632 -0.019,633 -0.181,634 0.008,635 -0.137,636 -0.022,637 -0.077,638 -0.106,639 -0.048,640 -0.179,641 -0.136,642 -0.251,643 -0.108,644 -0.286,645 0.167,646 -0.065,647 -0.01,648 -0.138,649 0.097,650 -0.19,651 0.153,652 0.054,653 0.252,654 0.098,655 0.054,656 0.131,657 1.652,658 3.847,659 0.864,660 15.182,661 1.016,662 1.131,663 3.664,664 13.425,665 0.699,666 3.258,667 3.638,668 3.989,669 4.263,670 4.554,671 4.718,672 4.868,673 4.99,674 4.956,675 4.875,676 4.735,677 0.675,678 315.79,679 3.258,680 4.828,681 5.72,682 6.635,683 7.548,684 8.471,685 9.393,686 10.32,687 11.246,688 12.176,689 13.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 36,733 16,734 1,735 25,737 39,738 15,739 11,740 3,741 3,746 4,747 5,748 1,755 4,758 4,761 11,762 4,777 1,778 1,781 14,782 5,783 3,784 7,785 1,790 5,794 0.75,795 1,803 1,806 1,810 1,811 1,812 2,815 1,840 3,845 1,848 22,849 1,853 1,854 3,858 1,869 1,870 2.8,872 1,877 11,878 6.393,879 4.694,880 2.199,881 3.095,882 1.433,883 1.008,884 3.203,885 10.248,886 3.526,887 4.216,888 4.904,889 5.562,890 6.164,891 6.589,892 7.046,893 7.501,894 7.759,895 8.014,896 1,897 37,898 8.103,900 3.597,901 7.801,902 15.407,904 13.25,905 2.301,906 50.611,910 129.482,911 60.71,912 84.908,913 39.149,914 42.683,917 60.71,918 211.314,919 84.908,921 7.604,922 61.326,923 106.404,924 22.411,925 2.328,926 117.711,927 39.149,928 129.482,929 145.618,930 42.683,931 39.149,933 82.398,934 89.768,937 22.471,938 72.913,939 89.383,941 129.482,942 127.591,943 99.859,946 129.482,947 23.663,948 38.824,950 164.963,951 129.482,952 127.591,953 99.859,955 0.596,956 0.364,957 0.188,958 0.109,959 21,960 9,961 0.051,962 2,963 1,964 1.105,965 3.378,966 188.186,967 0.105,968 19,969 96.107,974 13.794,975 5.109,976 2.161,977 1.456,978 125.815,979 6.487,980 13.12,984 2.12,985 1.928,986 75.581,987 356.932,988 33,999 36.578,1000 40.721,1001 0.336,1002 0.779,1003 0.87,1004 0.925,1005 0.925,1006 0.925,1007 4.787,1008 1.235,1009 5.733,1010 3.514,1011 4.317,1012 4.902,1014 6.619,1015 4.209,1016 6.028,1017 1.011,1018 7.339,1019 3.474,1020 4.007,1021 4.856,1023 7.656,1024 3.819,1025 7.374,1026 0.316,1027 9.047,1028 2.499,1029 5.999,1030 7.228,1032 10.823,1033 5.809,1034 8.758,1035 0.1,1036 10.815,1037 0.782,1038 6.509,1039 8.038,1041 12.71,1042 6.248,1043 10.175,1045 12.62,1046 0.222,1047 7.979,1048 9.892,1050 15.404,1051 7.712,1052 11.617,1053 -0.307,1054 14.452,1056 8.86,1057 11.101,1059 17.644,1060 8.535,1061 13.078,1062 -0.595,1063 16.303,1064 -0.714,1065 10.137,1066 12.758,1068 20.191,1069 9.796,1070 3.35,1071 -0.835,1072 18.169,1073 -1.604,1074 11.187,1075 14.152,1077 22.579,1078 10.799,1079 2.848,1080 12.147,1081 20.047,1082 -2.341,1083 12.397,1084 15.734,1086 25.082,1087 11.984,1088 2.67,1089 9.331,1090 21.935,1091 4.733,1092 13.524,1093 17.212,1095 27.531,1096 13.071,1097 2.324,1098 8.332,1099 23.832,1100 3.88,1101 14.715,1102 18.769,1104 30.024,1105 14.232,1106 1.994,1107 7.322,1108 25.736,1109 3.249,1110 15.878,1111 20.286,1113 32.499,1114 15.358,1115 1.512,1116 5.746,1117 27.646,1118 3.086,1119 17.068,1120 21.835,1122 34.991,1123 16.515,1124 1.414,1125 4.137,1126 29.561,1127 2.39,1128 18.249,1129 23.37,1131 37.478,1132 17.66,1133 4399,1134 7772,1135 16.819,1136 25.148,1137 37.867,1138 38.406,1139 39.693,1140 37.705,1141 37.548,1142 50.037,1144 115.014,1145 35.275,1146 5.764,1147 5.397,1148 6.669,1149 5.385,1150 5.35,1151 7.733,1153 19.676,1154 5.226,1155 9.835,1156 1.515,1157 1.536,1158 1.588,1159 1.508,1160 1.502,1161 2.001,1163 4.601,1164 1.411,1165 4.148,1166 4.196,1167 4.139,1168 4.009,1169 6.471,1170 4.03,1171 3.863,1172 3.892,1173 3.953,1174 3.78,1175 5.255,1176 3.779,1177 3.763,1178 3.812,1179 3.664,1180 3.644,1181 4.892,1182 3.642,1183 3.26,1184 3.345,1185 3.357,1186 3.02,1187 4.809,1188 3.051,1189 3.023,1190 3.117,1191 3.112,1192 2.768,1193 4.52,1194 2.8,1195 2.931,1196 2.971,1197 2.874,1198 2.745,1199 4.263,1200 2.747,1201 2.806,1202 2.862,1203 2.804,1204 2.625,1205 4.091,1206 2.631,1207 2.524,1208 2.66,1209 2.422,1210 2.274,1211 3.679,1212 2.228,1213 0.191,1214 0.136,1215 0.282,1216 0.172,1217 0.134,1218 4.764,1219 0.189,1220 3.397,1222 7.051,1223 0.486,1224 4.312,1225 0.129,1226 3.35,1227 4.733,1229 12.147,1230 3.226,1231 1.931,1232 1.909,1233 2.096,1234 2.088,1235 1.491,1236 2.087,1237 1.899,1238 1.85,1239 1.977,1240 2.004,1241 1.116,1242 2,1243 1.713,1244 1.674,1245 1.785,1246 1.874,1247 0.856,1248 1.862,1249 1.198,1250 1.142,1251 1.285,1252 1.479,1253 0.393,1254 1.432,1255 0.911,1256 0.843,1257 1.15,1258 1.222,1259 0.325,1260 1.205,1261 0.883,1262 0.834,1263 1.113,1264 1.141,1265 0.191,1266 1.131,1267 0.791,1268 0.69,1269 1.079,1270 1.091,1271 0.12,1272 1.095,1273 0.585,1274 0.489,1275 1.067,1276 0.895,1278 0.967,1279 3.932,1281 5.333,1282 2.398,1283 6.913,1284 4.844,1285 8.575,1286 7.081,1287 10.28,1290 5.88,1293 6.042,1294 9.847,1295 3.377,1299 0.353,1305 24.283,1306 62.601,1307 144.956,1308 161.853,1309 172.117,1310 172.117,1311 172.117,1312 32.595,1313 7.153,1314 89.85,1315 89.85,1316 21,1317 12.679,1318 4.087,1319 3.17,1320 29.624,1321 61,1322 64,1323 0.243,1324 150.891,1325 246.44,1326 359.934,1327 10300,1328 2.8,1329 15.267,1330 0.694,1331 0.566,1332 15.767,1333 12.455,1334 10.648,1335 0.426,1336 0.3,1337 7.061,1338 9.977,1339 6.928,1340 5.68,1341 10.937,1342 7.503,1343 9.931,1344 0.268,1345 0.16,1346 10.302,1347 5.909,1348 8.937,1349 0.169,1350 0.084,1351 9.365,1352 4.478,1353 7.058,1354 0.101,1355 0.038,1356 7.21,1357 2.657,1358 6.013,1359 0.064,1360 0.02,1361 6.207,1362 1.909,1363 0.361,1364 69.783,1365 0.244,1366 21.017,1367 0.735,1368 124,1369 354.246,1370 151.059,1371 378.247,1372 517.53,1373 352,1374 152,1375 376.186,1376 177.315,1377 388.855,1378 576.94,1379 367,1380 6.754}
{0 CHEMBL1241581,1 1.563,2 7.958,3 2.339,4 5.47,5 94.973,6 7.373,7 0.593,8 3.91,9 4.048,10 3.474,11 3.4,12 5.02,13 3.396,14 4.444,15 4.627,16 3.849,17 3.816,18 5.463,19 3.788,20 4.669,21 4.891,22 3.914,23 3.914,24 5.676,25 3.865,26 4.708,27 4.945,28 3.917,29 3.91,30 5.758,31 3.865,32 4.665,33 4.889,34 3.816,35 3.921,36 5.661,37 3.854,38 4.636,39 4.855,40 3.779,41 3.892,42 5.643,43 3.813,44 4.673,45 4.919,46 3.652,47 3.816,48 5.676,49 3.71,50 4.618,51 4.902,52 3.298,53 3.618,54 5.531,55 3.461,56 0.072,57 0.716,58 9.459,59 3.565,60 11.54,61 4.993,62 0.208,63 1.123,64 17.648,65 6.292,66 20.261,67 8.924,68 0.253,69 1.315,70 23.176,71 7.252,72 28.73,73 11.128,74 0.411,75 1.344,76 24.903,77 7.106,78 40.148,79 10.887,80 0.323,81 1.307,82 23.137,83 6.893,84 33.84,85 10.638,86 0.253,87 1.258,88 22.177,89 7.326,90 29.673,91 11.024,92 0.4,93 1.204,94 24.149,95 7.352,96 41.596,97 11.377,98 0.363,99 1.007,100 24.35,101 7.331,102 44.558,103 11.169,104 11,105 39,106 0.27,107 0.646,108 0.765,109 0.831,110 0.831,111 0.831,112 3.23,113 0.901,114 -4.38,115 -4.31,116 -4.07,119 38.6,121 4,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 6,174 2,175 8,177 1,178 1,180 2,183 6,185 2,186 1,187 9,189 1,190 1,192 2,195 3,197 2,198 2,199 10,201 3,202 3,204 2,207 3,209 2,211 1,212 8,217 2,220 4,222 2,223 1,224 4,226 1,227 1,229 4,232 6,234 4,236 2,237 2,239 2,240 2,242 2,245 6,247 2,250 2,252 2,253 2,254 1,257 2,258 2,261 1,263 2,268 2,273 2,275 774,276 16.508,277 16.508,278 16.508,279 16.508,280 16.508,281 14.624,282 15.194,283 9.56,284 16.94,285 13.259,286 13.259,287 13.259,288 13.259,289 13.259,290 10.328,291 13.155,292 4.423,293 13.882,294 3.896,295 1.722,296 1.034,297 0.654,298 0.654,299 0.654,300 3.925,303 1,304 1,305 1,306 417,307 2.345,310 97.793,311 123.928,314 86.997,318 1.135,319 20.721,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 191,332 4.764,333 3.392,334 7.051,335 4.311,336 3.348,337 4.733,338 0.86,339 12.147,340 3.226,341 4.241,342 3.073,343 6.271,344 3.836,345 2.872,346 3.899,348 9.367,349 2.764,350 3.88,351 2.781,352 6.054,353 3.625,354 2.661,355 3.245,357 8.624,358 2.563,359 3.692,360 2.422,361 5.719,362 3.298,363 2.34,364 3.097,366 7.486,367 2.238,368 3.239,369 2.038,370 5.079,371 2.948,372 1.995,373 2.365,375 5.689,376 1.898,377 3.001,378 1.88,379 4.469,380 2.478,381 1.539,382 2.237,384 4.136,385 1.438,386 2.881,387 1.527,388 4.235,389 2.448,390 1.507,391 2.019,393 3.828,394 1.414,395 2.638,396 1.406,397 4.201,398 2.306,399 1.342,400 1.684,402 3.529,403 1.29,404 2.442,405 1.055,406 3.663,407 1.975,408 1.035,409 1.423,411 2.566,412 0.971,413 1.858,414 0.94,415 3.249,416 1.662,417 0.684,418 0.785,420 1.743,421 0.668,422 1.717,423 0.704,424 3,425 1.618,426 0.618,427 0.618,428 1.372,429 0.618,430 1.618,431 0.618,432 2.879,433 1.412,434 0.525,435 0.607,436 0.884,437 0.461,438 1.125,439 0.157,440 2.693,441 0.799,442 -0.132,443 -0.157,445 -0.255,446 -0.122,447 1.047,448 -0.162,449 2.461,450 0.605,451 -0.306,452 -0.391,454 -0.706,455 -0.279,456 0.652,457 -0.553,458 2.333,459 0.184,460 -0.753,461 -0.998,463 -2.047,464 -0.699,465 11.233,466 0.468,467 0.572,468 0.024,469 31.75,470 1.323,471 15.5,472 0.646,473 16.25,474 0.677,475 19.179,476 0.799,477 25.967,478 0.59,479 22.294,480 0.929,481 5.914,482 0.246,483 5.772,484 0.24,485 0.116,487 0.392,493 0.961,494 1.266,495 0.81,496 1.054,497 1.109,498 0.925,499 0.983,500 1.119,501 0.806,502 0.98,503 0.656,504 0.894,505 0.89,506 1.271,507 0.859,508 1.07,509 0.67,510 0.974,511 1.123,512 0.948,513 0.919,514 0.842,515 0.989,516 0.845,517 1.12,518 1.065,519 1.115,520 0.992,521 1.082,522 1.029,523 0.871,524 1.196,525 1.07,526 1.197,527 1.021,528 1.163,529 0.852,530 1.087,531 1.128,532 1.168,533 1.161,534 1.182,535 1.058,536 0.892,537 1.127,538 1.093,539 0.922,540 1.125,541 4,542 0.04,543 3.111,544 1.944,545 1.687,546 0.858,547 0.551,548 0.471,549 0.185,550 0.103,551 5741,552 13980,553 2.135,554 45.5,555 4,556 7,558 1,559 4,561 4,564 1.677,565 2,566 3.022,567 1.819,568 1,569 1,571 1,573 68.78,574 1.563,575 3.737,576 4.425,577 4.806,578 4.806,579 4.806,580 2.44,581 4.22,582 4.556,583 3.144,584 867.711,585 7.907,586 9796.79,588 1,590 1,591 240.215,592 1.406,593 4.518,594 0.148,595 0.01,596 0.08,597 0.049,598 0.042,599 0.024,600 0.016,601 0.017,602 0.01,603 0.01,604 0.406,605 0.17,606 1,607 0.757,608 110.805,609 -0.047,610 -0.014,611 0.051,612 0.019,613 -0.123,614 0.049,615 0.028,616 0.001,617 0.11,618 0.067,619 0.127,620 0.089,621 0.05,622 -0.219,623 0.088,624 -0.075,625 0.172,626 -0.001,627 -0.015,628 0.103,629 0.061,630 0.099,631 0.022,632 0.09,633 -0.174,634 0.021,635 -0.173,636 -0.019,637 -0.17,638 -0.078,639 -0.015,640 -0.131,641 -0.143,642 -0.189,643 -0.085,644 -0.183,645 0.106,646 -0.086,647 -0.161,648 -0.199,649 -0.078,650 -0.216,651 -0.019,652 -0.017,653 -0.113,654 -0.136,655 0.092,656 -0.141,657 1.227,658 2.146,659 0.833,660 17.667,661 1.003,662 1.139,663 3.148,664 9.911,665 0.655,666 3.332,667 3.689,668 4.043,669 4.369,670 4.605,671 4.787,672 4.956,673 5.112,674 5.142,675 5.094,676 5.051,677 0.626,678 324.43,679 3.332,680 4.89,681 5.778,682 6.686,683 7.595,684 8.514,685 9.433,686 10.356,687 11.28,688 12.207,689 13.6,693 2,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 2,729 1,731 44,733 16,734 1,735 27,737 47,738 17,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 6,777 1,778 1,781 20,782 6,783 4,784 7,790 6,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,844 1,848 24,849 2,854 4,856 1,858 1,870 2.3,875 1,877 12,878 8.05,879 5.278,880 2.655,881 3.099,882 1.421,883 1.018,884 3.866,885 10.463,886 3.584,887 4.245,888 4.934,889 5.604,890 6.187,891 6.62,892 7.088,893 7.552,894 7.836,895 8.107,896 1,897 40,898 8.84,900 3.809,901 7.646,902 17.063,904 14.398,905 2.146,906 51.5,909 1,910 188.338,911 78.627,912 117.805,914 11,917 78.627,918 199.338,919 117.805,920 10.883,921 10.138,922 94.223,923 63.72,924 37.911,925 2.328,926 176.567,928 188.338,929 196.432,930 11,933 141.253,934 58.084,937 25.005,938 121.193,939 50.234,941 188.338,942 128.805,943 78.627,946 188.338,947 30.697,948 49.707,950 127.028,951 188.338,952 128.805,953 78.627,955 0.584,956 0.363,957 0.206,958 0.109,959 21,960 9,961 0.064,962 3,963 1,964 1.1,965 3.512,966 211.454,967 0.1,968 20,969 106.039,974 15.364,975 6.039,976 2.556,977 1.58,978 127.028,979 7.111,980 13.443,984 3.309,985 2.012,986 65.794,987 395.77,988 35,999 44.123,1000 50.106,1001 0.286,1002 0.685,1003 0.811,1004 0.88,1005 0.88,1006 0.88,1007 4.836,1008 1.342,1009 5.778,1010 3.828,1011 4.369,1012 4.931,1013 0.908,1014 6.655,1015 4.285,1016 6.061,1017 1.035,1018 7.376,1019 3.529,1020 4.007,1021 4.856,1023 7.689,1024 3.883,1025 7.395,1026 0.684,1027 9.078,1028 2.566,1029 6.019,1030 7.237,1031 0.739,1032 10.85,1033 5.861,1034 8.773,1035 0.618,1036 10.842,1037 1.743,1038 6.524,1039 8.046,1041 12.741,1042 6.326,1043 10.187,1044 0.525,1045 12.645,1046 1.372,1047 7.989,1048 9.899,1049 0.593,1050 15.428,1051 7.76,1052 11.627,1053 -0.132,1054 14.475,1055 0.884,1056 8.874,1057 11.108,1059 17.667,1060 8.605,1061 13.088,1062 -0.306,1063 16.326,1064 -0.255,1065 10.145,1066 12.764,1067 0.469,1068 20.209,1069 9.844,1070 3.348,1071 -0.753,1072 18.192,1073 -0.706,1074 11.198,1075 14.158,1077 22.594,1078 10.858,1079 2.872,1080 12.147,1081 20.069,1082 -2.047,1083 12.404,1084 15.74,1085 0.366,1086 25.094,1087 12.03,1088 2.661,1089 9.367,1090 21.957,1091 4.733,1092 13.532,1093 17.218,1095 27.541,1096 13.12,1097 2.34,1098 8.624,1099 23.853,1100 3.899,1101 14.721,1102 18.774,1103 0.283,1104 30.032,1105 14.273,1106 1.995,1107 7.486,1108 25.756,1109 3.245,1110 15.884,1111 20.29,1113 32.505,1114 15.398,1115 1.539,1116 5.689,1117 27.665,1118 3.097,1119 17.072,1120 21.839,1121 0.217,1122 34.996,1123 16.55,1124 1.507,1125 4.136,1126 29.579,1127 2.365,1128 18.252,1129 23.373,1131 37.481,1132 17.693,1133 5508,1134 8728,1135 18.205,1136 28.819,1137 40.833,1138 41.171,1139 42.424,1140 40.991,1141 40.931,1142 53.422,1143 1.72,1144 122.743,1145 39.099,1146 5.666,1147 5.392,1148 6.646,1149 5.386,1150 5.348,1151 7.733,1152 1.72,1153 19.685,1154 5.226,1155 10.553,1156 1.512,1157 1.525,1158 1.571,1159 1.518,1160 1.516,1161 1.979,1162 0.064,1163 4.546,1164 1.448,1165 4.146,1166 4.193,1167 4.124,1168 4.006,1169 5.26,1170 4.028,1171 3.874,1172 3.909,1173 3.816,1174 3.772,1175 5.121,1176 3.776,1177 3.78,1178 3.834,1179 3.662,1180 3.654,1181 4.862,1182 3.653,1183 3.31,1184 3.392,1185 3.239,1186 3.046,1187 4.643,1188 3.083,1189 3.227,1190 3.303,1191 3.058,1192 2.946,1193 4.51,1194 2.96,1195 3.071,1196 3.169,1197 2.956,1198 2.838,1199 4.29,1200 2.857,1201 2.927,1202 3.048,1203 2.777,1204 2.671,1205 4.135,1206 2.661,1207 2.869,1208 2.979,1209 2.583,1210 2.644,1211 3.69,1212 2.635,1213 0.176,1214 0.126,1215 0.261,1216 0.16,1217 0.124,1218 4.764,1219 0.175,1220 3.392,1221 0.032,1222 7.051,1223 0.45,1224 4.311,1225 0.119,1226 3.348,1227 4.733,1228 0.86,1229 12.147,1230 3.226,1231 1.931,1232 1.911,1233 2.002,1234 2.039,1235 1.243,1236 2.025,1237 1.791,1238 1.746,1239 1.891,1240 1.983,1241 1.211,1242 1.958,1243 1.59,1244 1.532,1245 1.86,1246 1.789,1247 1.124,1248 1.793,1249 1.577,1250 1.507,1251 1.753,1252 1.751,1253 0.845,1254 1.782,1255 1.218,1256 1.156,1257 1.571,1258 1.518,1259 0.574,1260 1.534,1261 1.137,1262 1.062,1263 1.314,1264 1.41,1265 0.294,1266 1.395,1267 0.911,1268 0.808,1269 1.195,1270 1.287,1271 0.151,1272 1.275,1273 0.797,1274 0.725,1275 1.098,1276 1.126,1277 0.094,1278 1.11,1279 4.007,1281 5.352,1282 3.045,1283 6.899,1284 5.352,1285 8.541,1286 7.455,1287 10.237,1289 1.599,1293 12.072,1295 4.672,1297 5.334,1299 0.367,1305 27.531,1306 68.78,1307 164.441,1308 194.705,1309 211.46,1310 211.46,1311 211.46,1312 33.39,1313 7.364,1314 104.87,1315 104.87,1316 22,1317 12.711,1318 4.087,1319 3.17,1320 33.535,1321 71,1322 72,1323 0.235,1324 168.537,1325 276.83,1326 402.99,1327 13619,1329 16.681,1330 0.695,1331 0.565,1332 16.681,1333 13.567,1334 11.686,1335 0.433,1336 0.3,1337 7.983,1338 11.183,1339 7.818,1340 6.485,1341 11.686,1342 8.113,1343 10.476,1344 0.269,1345 0.158,1346 10.476,1347 6.146,1348 9.475,1349 0.169,1350 0.084,1351 9.475,1352 4.696,1353 8.212,1354 0.105,1355 0.044,1356 8.212,1357 3.459,1358 6.397,1359 0.065,1360 0.021,1361 6.397,1362 2.036,1363 0.351,1364 73.662,1365 0.234,1366 22.7,1367 0.704,1368 132,1369 356.94,1370 145.342,1371 348.798,1372 492.63,1373 328,1374 161,1375 383.684,1376 176.007,1377 388.594,1378 573.83,1379 365,1380 6.284}
{0 CHEMBL1241582,1 1.572,2 7.286,3 1.822,4 3.318,5 83.379,6 7.457,7 0.696,8 3.751,9 3.885,10 3.315,11 3.251,12 4.915,13 3.244,14 4.245,15 4.431,16 3.678,17 3.63,18 5.344,19 3.607,20 4.438,21 4.646,22 3.761,23 3.751,24 5.524,25 3.714,26 4.554,27 4.788,28 3.761,29 3.771,30 5.661,31 3.719,32 4.473,33 4.693,34 3.613,35 3.728,36 5.519,37 3.659,38 4.425,39 4.636,40 3.538,41 3.672,42 5.546,43 3.59,44 4.5,45 4.772,46 3.234,47 3.558,48 5.492,49 3.413,50 4.33,51 4.65,52 2.805,53 3.241,54 5.301,55 3.031,56 0.073,57 0.608,58 7.907,59 3.079,60 11.952,61 4.213,62 0.185,63 0.936,64 14.246,65 5.048,66 22.055,67 7.175,68 0.168,69 1.099,70 17.661,71 5.705,72 20.565,73 8.574,74 0.345,75 1.159,76 21.036,77 6.449,78 38.824,79 9.595,80 0.218,81 1.078,82 18.774,83 5.811,84 27.158,85 8.729,86 0.219,87 1.023,88 17.646,89 5.699,90 32.387,91 8.522,92 0.306,93 0.958,94 20.938,95 6.097,96 38.329,97 9.511,98 0.367,99 0.682,100 19.28,101 5.791,102 52.187,103 9.065,104 21,105 33,106 0.281,107 0.685,108 0.801,109 0.838,110 0.838,111 0.838,112 3.105,113 0.887,114 -4.11,115 -4.05,116 -3.84,119 39.5,120 2,125 1,127 1,142 4,143 3,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 7,177 1,178 1,180 2,183 8,185 1,186 1,187 5,192 2,195 5,198 2,199 8,201 3,202 3,204 3,207 4,209 1,212 7,217 3,220 3,222 2,224 7,227 1,229 5,232 4,234 4,237 2,240 1,242 1,245 4,247 1,253 2,254 1,257 1,258 2,268 2,275 538,276 14.146,277 14.146,278 14.146,279 14.146,280 14.146,281 12.315,282 14.203,283 8.188,284 14.428,285 11.277,286 11.277,287 11.277,288 11.277,289 11.277,290 8.41,291 12.894,292 3.764,293 11.74,294 3.676,295 1.425,296 0.777,297 0.566,298 0.566,299 0.566,300 3.781,303 1,304 1,305 1,306 323,307 2.739,310 39.203,311 107.011,314 75.153,318 1.061,319 18.866,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 153,332 4.759,333 3.375,334 7.039,335 4.3,336 3.336,337 4.731,338 0.765,339 12.085,340 3.217,341 4.094,342 2.853,343 6.158,344 3.7,345 2.72,346 3.71,348 8.894,349 2.665,350 3.797,351 2.649,352 5.793,353 3.455,354 2.498,355 3.202,357 7.753,358 2.386,359 3.551,360 2.374,361 5.257,362 3.177,363 2.207,364 2.913,366 6.515,367 2.138,368 3.028,369 1.823,370 4.818,371 2.683,372 1.742,373 2.222,375 4.817,376 1.636,377 2.977,378 1.595,379 4.408,380 2.476,381 1.525,382 2.126,384 4.02,385 1.447,386 2.695,387 1.268,388 3.859,389 2.197,390 1.225,391 1.784,393 2.807,394 1.188,395 2.457,396 1,397 3.521,398 1.964,399 1,400 1.438,402 2.528,403 0.962,404 2.112,405 0.935,406 3.446,407 1.739,408 0.779,409 1.008,411 1.979,412 0.746,413 1.583,414 0.811,415 2.717,416 1.32,417 0.427,418 0.48,420 0.621,421 0.376,422 1.062,423 -0.151,424 2.582,425 0.631,426 -0.286,427 -0.363,428 -0.667,429 -0.261,430 0.834,431 -0.429,432 2.416,433 0.393,434 -0.577,435 -0.782,436 -1.358,437 -0.559,438 0.606,439 -0.632,440 2.252,441 0.171,442 -0.786,443 -1,445 -2,446 -0.746,447 0.556,448 -0.815,449 2,450 0.064,451 -0.881,452 -1.02,454 -2.003,455 -0.833,456 0.157,457 -1,458 1.672,460 -1,461 -1.162,463 -2.467,464 -1,465 9.833,466 0.468,467 0.559,468 0.027,469 28.25,470 1.345,471 14.5,472 0.69,473 13.75,474 0.655,475 15.659,476 0.746,477 22.567,478 0.594,479 19.496,480 0.928,481 5.513,482 0.263,483 4.6,484 0.219,485 0.176,487 0.397,493 0.955,494 1.263,495 0.817,496 1.029,497 1.1,498 0.923,499 0.85,500 1.071,501 0.753,502 0.896,503 0.789,504 0.827,505 0.886,506 1.248,507 0.865,508 1.025,509 0.611,510 0.942,511 0.956,512 0.928,513 0.907,514 0.892,515 0.908,516 0.889,517 1.147,518 1.152,519 1.147,520 1.086,521 0.884,522 1.099,523 1.009,524 1.299,525 1.211,526 1.272,527 0.976,528 1.266,529 1.017,530 1.006,531 1.253,532 1.149,533 1.117,534 1.21,535 0.627,536 0.657,537 0.94,538 0.906,539 0.723,540 0.962,541 4,543 2.444,544 1.979,545 1.656,546 0.778,547 0.478,548 0.299,549 0.123,550 0.016,551 3674,552 9965,553 2.045,554 44.7,556 7,558 1,559 3,561 6,564 1.641,565 1.881,566 2.883,567 1.109,568 1,569 1,571 1,573 59.721,574 1.572,575 3.823,576 4.471,577 4.682,578 4.682,579 4.682,580 2.244,581 4.107,582 4.363,583 2.983,584 626.432,585 7.521,586 6445.86,587 1,588 1,590 1,591 199.421,592 1.51,593 4.305,594 0.174,596 0.074,597 0.057,598 0.049,599 0.027,600 0.018,601 0.018,602 0.012,603 0.005,604 0.434,605 0.67,606 1,607 0.988,608 92.018,609 -0.056,610 -0.04,611 0.029,612 0.029,613 -0.204,614 0.036,615 0.063,616 0.053,617 0.151,618 0.121,619 0.014,620 0.138,621 -0.046,622 -0.149,623 0.051,624 -0.039,625 0.046,626 0.014,627 0.051,628 0.114,629 0.058,630 0.057,631 0.02,632 0.054,633 -0.229,634 -0.08,635 -0.217,636 -0.118,637 -0.098,638 -0.152,639 -0.111,640 -0.229,641 -0.291,642 -0.292,643 -0.071,644 -0.315,645 -0.106,646 -0.062,647 -0.267,648 -0.211,649 -0.182,650 -0.248,651 0.289,652 0.121,653 0.11,654 0.053,655 0.287,656 0.06,657 1.511,658 3.295,659 0.714,660 13.732,661 1.004,662 1.137,663 2.879,664 8.287,665 0.659,666 3.178,667 3.526,668 3.85,669 4.174,670 4.431,671 4.543,672 4.615,673 4.673,674 4.595,675 4.511,676 4.573,677 0.631,678 283.37,679 3.178,680 4.727,681 5.602,682 6.509,683 7.412,684 8.329,685 9.242,686 10.163,687 11.081,688 12.005,689 13.2,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,731 38,733 16,734 1,735 23,737 40,738 15,739 11,740 2,741 4,746 3,747 4,752 3,758 1,761 11,762 4,777 1,778 1,781 17,782 5,783 3,784 6,790 5,794 0.667,795 1,796 1,803 1,806 1,811 1,812 2,815 1,838 1,840 2,844 2,848 21,849 1,853 1,854 1,858 1,870 2.6,871 1,877 11.167,878 7.333,879 4.667,880 2.221,881 3.149,882 1.459,883 0.961,884 3.516,885 10.011,886 3.466,887 4.139,888 4.835,889 5.522,890 6.105,891 6.498,892 6.929,893 7.349,894 7.57,895 7.836,896 0.8,897 35,898 7.71,900 3.253,901 7.778,902 14.627,904 11.895,905 2.278,906 47.833,910 164.795,911 79.918,912 84.908,914 42.683,917 79.918,918 207.479,919 84.908,920 17.65,922 113.486,923 63.72,924 22.096,925 2.328,926 153.024,928 164.795,929 164.826,930 42.683,933 94.169,934 70.627,935 42.683,937 32.518,938 82.074,939 50.234,941 164.795,942 127.591,943 79.918,946 164.795,947 15.744,948 65.951,950 125.815,951 164.795,952 127.591,953 79.918,955 0.583,956 0.355,957 0.202,958 0.118,959 17,960 8,961 0.075,962 3,963 1,964 1.133,965 3.178,966 169.479,967 0.133,968 15,969 90.239,974 13.835,975 5.337,976 2.339,977 1.475,978 125.815,979 9.051,980 13.032,984 2.881,985 1.842,986 75.581,987 372.305,988 31,999 38.138,1000 43.192,1001 0.299,1002 0.729,1003 0.852,1004 0.892,1005 0.892,1006 0.892,1007 4.7,1008 1,1009 5.609,1010 2.807,1011 4.205,1012 4.824,1013 0.775,1014 6.485,1015 4.129,1016 5.94,1017 0.779,1018 7.209,1019 2.528,1020 3.892,1021 4.745,1023 7.532,1024 3.793,1025 7.274,1026 0.427,1027 8.912,1028 1.979,1029 5.849,1030 7.149,1031 0.521,1032 10.685,1033 5.707,1034 8.651,1035 -0.286,1036 10.676,1037 0.621,1038 6.365,1039 7.939,1041 12.59,1042 6.193,1043 10.065,1044 -0.577,1045 12.48,1046 -0.667,1047 7.82,1048 9.819,1049 0.336,1050 15.285,1051 7.613,1052 11.505,1053 -0.786,1054 14.312,1055 -1.358,1056 8.71,1057 11.02,1059 17.54,1060 8.468,1061 12.967,1062 -0.881,1063 16.165,1064 -2,1065 9.983,1066 12.692,1067 0.21,1068 20.09,1069 9.706,1070 3.336,1071 -1,1072 18.034,1073 -2.003,1074 11.042,1075 14.087,1077 22.487,1078 10.728,1079 2.72,1080 12.085,1081 19.917,1082 -2.467,1083 12.253,1084 15.679,1085 0.128,1086 24.992,1087 11.904,1088 2.498,1089 8.894,1090 21.81,1091 4.731,1092 13.388,1093 17.161,1095 27.446,1096 13.001,1097 2.207,1098 7.753,1099 23.712,1100 3.71,1101 14.583,1102 18.724,1103 0.077,1104 29.939,1105 14.159,1106 1.742,1107 6.515,1108 25.621,1109 3.202,1110 15.752,1111 20.245,1113 32.415,1114 15.291,1115 1.525,1116 4.817,1117 27.537,1118 2.913,1119 16.945,1120 21.8,1121 0.046,1122 34.905,1123 16.447,1124 1.225,1125 4.02,1126 29.458,1127 2.222,1128 18.131,1129 23.338,1131 37.39,1132 17.594,1133 3696,1134 6184,1135 15.027,1136 25.051,1137 35.147,1138 35.329,1139 36.944,1140 34.893,1141 34.92,1142 47.223,1143 1.529,1144 104.039,1145 33.521,1146 5.437,1147 5.375,1148 6.628,1149 5.373,1150 5.336,1151 7.731,1152 1.529,1153 19.548,1154 5.217,1155 11.017,1156 1.528,1157 1.536,1158 1.606,1159 1.517,1160 1.518,1161 2.053,1162 0.066,1163 4.523,1164 1.457,1165 4.134,1166 4.181,1167 4.115,1168 4.001,1169 6.457,1170 4.02,1171 3.858,1172 3.891,1173 3.796,1174 3.759,1175 5.255,1176 3.768,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 4.879,1182 3.399,1183 3.278,1184 3.337,1185 3.168,1186 3.073,1187 4.677,1188 3.088,1189 3.146,1190 3.224,1191 3.008,1192 2.922,1193 4.471,1194 2.934,1195 2.997,1196 3.105,1197 2.874,1198 2.694,1199 4.073,1200 2.73,1201 2.874,1202 3.009,1203 2.628,1204 2.618,1205 3.711,1206 2.602,1207 2.771,1208 2.846,1209 2.499,1210 2.601,1211 3.64,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.759,1219 0.206,1220 3.375,1221 0.033,1222 7.039,1223 0.525,1224 4.3,1225 0.14,1226 3.336,1227 4.731,1228 0.765,1229 12.085,1230 3.217,1231 1.949,1232 1.926,1233 2.039,1234 2.042,1235 1.182,1236 2.035,1237 1.804,1238 1.756,1239 1.947,1240 1.994,1241 1.141,1242 1.981,1243 1.618,1244 1.553,1245 1.785,1246 1.818,1247 0.871,1248 1.82,1249 1.233,1250 1.181,1251 1.469,1252 1.487,1253 0.576,1254 1.479,1255 1.087,1256 1.022,1257 1.417,1258 1.371,1259 0.469,1260 1.352,1261 0.934,1262 0.804,1263 1.269,1264 1.239,1265 0.29,1266 1.308,1267 0.88,1268 0.784,1269 1.167,1270 1.211,1271 0.052,1272 1.206,1273 0.762,1274 0.674,1275 0.991,1276 1.063,1277 0.019,1278 1.057,1279 3.85,1281 5.187,1282 2.398,1283 6.732,1284 4.844,1285 8.374,1286 7.081,1287 10.067,1289 4.081,1293 6.025,1294 9.295,1295 -0.011,1299 0.163,1305 23.983,1306 59.721,1307 145.282,1308 169.911,1309 177.911,1310 177.911,1311 177.911,1312 30.346,1313 6.862,1314 89.85,1315 89.85,1316 17,1317 12.512,1318 4.087,1319 3.17,1320 31.842,1321 56,1322 63,1323 0.288,1324 149.951,1325 243.59,1326 357.641,1327 7210,1329 14.983,1330 0.713,1331 0.571,1332 14.983,1333 11.985,1334 10.113,1335 0.44,1336 0.296,1337 6.703,1338 9.707,1339 6.481,1340 5.431,1341 10.113,1342 6.804,1343 9.158,1344 0.278,1345 0.158,1346 9.158,1347 5.203,1348 7.8,1349 0.17,1350 0.074,1351 7.8,1352 3.39,1353 6.733,1354 0.105,1355 0.037,1356 6.733,1357 2.375,1358 5.588,1359 0.067,1360 0.02,1361 5.588,1362 1.622,1363 0.425,1364 63.53,1365 0.258,1366 20.1,1367 0.877,1368 112,1369 314.042,1370 122.875,1371 309.377,1372 432.46,1373 290,1374 135,1375 330.808,1376 146.959,1377 336.506,1378 495.91,1379 316,1380 5.509}
{0 CHEMBL1241583,1 1.471,2 8,3 2.34,4 5.475,5 86.85,6 7.694,7 0.667,8 3.741,9 3.878,10 3.34,11 3.289,12 4.942,13 3.277,14 4.235,15 4.424,16 3.696,17 3.662,18 5.318,19 3.631,20 4.438,21 4.645,22 3.775,23 3.786,24 5.541,25 3.745,26 4.545,27 4.782,28 3.794,29 3.816,30 5.662,31 3.759,32 4.472,33 4.69,34 3.657,35 3.774,36 5.566,37 3.707,38 4.42,39 4.632,40 3.581,41 3.713,42 5.56,43 3.635,44 4.496,45 4.768,46 3.287,47 3.612,48 5.531,49 3.47,50 4.32,51 4.643,52 2.916,53 3.324,54 5.234,55 3.136,56 0.046,57 0.624,58 7.17,59 2.969,60 11.538,61 4.02,62 0.134,63 0.961,64 13.307,65 5.039,66 18.839,67 7.089,68 0.16,69 1.142,70 16.911,71 5.629,72 24.673,73 8.137,74 0.288,75 1.217,76 20.079,77 6.564,78 35.704,79 9.595,80 0.189,81 1.141,82 17.857,83 5.701,84 30.982,85 8.271,86 0.136,87 1.081,88 16.647,89 5.622,90 29.59,91 8.126,92 0.255,93 1.036,94 20.376,95 6.279,96 45.557,97 9.42,98 0.212,99 0.777,100 18.942,101 6.045,102 37.166,103 9.305,104 22,105 34,106 0.261,107 0.677,108 0.792,109 0.83,110 0.83,111 0.83,112 3.148,113 0.883,114 -4.28,115 -4.22,116 -3.98,119 42.1,120 2,121 1,127 1,142 4,143 3,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 8,177 1,178 1,180 1,183 10,185 1,186 1,187 6,195 7,198 2,199 10,201 3,202 3,204 1,207 5,209 1,212 10,217 2,220 4,222 2,224 9,229 4,232 4,234 4,236 1,237 5,242 2,245 4,247 2,249 1,258 4,262 2,265 1,266 1,275 630,276 14.853,277 14.853,278 14.853,279 14.853,280 14.853,281 12.815,282 14.04,283 8.793,284 15.133,285 11.815,286 11.815,287 11.815,288 11.815,289 11.815,290 8.66,291 11.759,292 4.059,293 12.264,294 3.777,295 1.425,296 0.777,297 0.566,298 0.566,299 0.566,300 3.825,303 1,304 1,305 1,306 371,307 2.915,310 41.933,311 114.854,314 80.288,318 1.182,319 18.16,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47,331 176,332 4.759,333 4.055,334 7.039,335 4.3,336 3.336,337 4.731,338 2.517,339 12.085,340 3.217,341 4.104,342 3.374,343 6.158,344 3.707,345 2.724,346 3.715,348 8.898,349 2.677,350 3.8,351 2.829,352 5.794,353 3.458,354 2.501,355 3.202,357 7.768,358 2.391,359 3.628,360 2.642,361 5.281,362 3.202,363 2.226,364 2.934,366 6.627,367 2.168,368 3.363,369 2.364,370 4.818,371 2.684,372 1.743,373 2.264,375 4.817,376 1.637,377 3.025,378 1.823,379 4.416,380 2.505,381 1.549,382 2.133,384 4.061,385 1.478,386 2.956,387 1.605,388 3.86,389 2.22,390 1.253,391 1.866,393 2.827,394 1.209,395 2.686,396 1.285,397 3.529,398 1.972,399 1,400 1.638,402 2.542,403 0.97,404 2.457,405 1.038,406 3.447,407 1.962,408 1,409 1.438,411 1.983,412 0.959,413 2.112,414 1,415 3.111,416 1.737,417 0.777,418 1.007,420 1.724,421 0.744,422 1.327,423 0.813,424 2.604,425 0.688,426 -0.276,427 -0.361,428 -0.487,429 -0.258,430 1.062,431 -0.151,432 2.417,433 0.627,434 -0.294,435 -0.434,436 -0.67,437 -0.278,438 0.821,439 -0.379,440 2.252,441 0.363,442 -0.608,443 -0.838,445 -1.575,446 -0.59,447 0.569,448 -0.626,449 2,450 0.067,451 -0.871,452 -1,454 -2,455 -0.814,456 0.519,457 -0.814,458 2,460 -1,461 -1.157,463 -2.211,464 -0.983,465 10.4,466 0.473,467 0.559,468 0.025,469 31.75,470 1.443,471 17.5,472 0.795,473 14.25,474 0.648,475 15.778,476 0.717,477 22.6,478 0.595,479 21.526,480 0.978,481 6.052,482 0.275,483 4.561,484 0.207,485 0.173,487 0.375,493 0.83,494 1.222,495 0.764,496 1.011,497 0.71,498 0.901,499 0.697,500 1.05,501 0.709,502 0.921,503 0.472,504 0.835,505 1.141,506 1.158,507 0.936,508 0.979,509 0.828,510 0.936,511 0.899,512 0.903,513 0.87,514 0.876,515 0.646,516 0.87,517 1.383,518 1.104,519 1.19,520 1.052,521 1.035,522 1.085,523 1.24,524 1.293,525 1.228,526 1.262,527 1.027,528 1.247,529 1.235,530 0.958,531 1.282,532 1.107,533 1.096,534 1.184,535 0.745,536 0.74,537 0.899,538 0.872,539 0.797,540 0.902,541 4,542 0.012,543 2.444,544 1.979,545 1.656,546 0.806,547 0.518,548 0.299,549 0.179,550 0.066,551 4237,552 11966,553 2.043,554 42.1,556 5,558 1,559 2,560 2,561 6,564 1.653,565 1.886,566 2.985,567 0.348,568 1,569 1,571 1,573 55.911,574 1.471,575 3.823,576 4.471,577 4.682,578 4.682,579 4.682,580 2.461,581 4.187,582 4.428,583 3.104,584 717.098,585 7.648,586 7625.48,587 1,588 1,590 1,591 199.421,592 1.495,593 4.376,594 0.167,595 0.004,596 0.072,597 0.055,598 0.046,599 0.026,600 0.018,601 0.016,602 0.014,603 0.009,604 0.427,605 0.5,606 1,607 1.167,608 98.675,609 0.028,610 -0.056,611 0.044,612 -0.009,613 -0.038,614 0.015,615 0.205,616 0.023,617 0.18,618 0.074,619 0.075,620 0.114,621 -0.114,622 -0.095,623 -0.018,624 -0.021,625 -0.072,626 -0.008,627 0.157,628 0.11,629 0.097,630 0.078,631 0.095,632 0.079,633 -0.327,634 -0.052,635 -0.262,636 -0.106,637 -0.153,638 -0.162,639 -0.252,640 -0.253,641 -0.311,642 -0.303,643 -0.13,644 -0.314,645 -0.213,646 -0.027,647 -0.273,648 -0.151,649 -0.159,650 -0.208,651 0.1,652 0.049,653 0.186,654 0.142,655 0.111,656 0.171,657 1.252,658 2.864,659 0.682,660 15.545,661 1.001,662 1.133,663 3.051,664 9.306,665 0.68,666 3.219,667 3.555,668 3.871,669 4.205,670 4.454,671 4.575,672 4.654,673 4.727,674 4.673,675 4.625,676 4.868,677 0.652,678 292.38,679 3.219,680 4.762,681 5.631,682 6.535,683 7.434,684 8.35,685 9.261,686 10.182,687 11.098,688 12.021,689 15.8,693 1,697 1,698 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,731 38,733 17,734 1,735 24,737 40,738 16,739 11,740 2,741 4,746 3,747 4,752 2,758 2,760 1,761 11,762 4,777 1,778 1,781 16,782 5,783 2,784 6,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,822 1,840 2,844 2,848 22,849 1,854 1,858 1,861 1,866 1,868 1,877 11.667,878 7.583,879 4.917,880 2.296,881 3.359,882 1.483,883 0.984,884 3.685,885 10.319,886 3.555,887 4.186,888 4.859,889 5.558,890 6.135,891 6.538,892 6.978,893 7.415,894 7.653,895 7.958,896 1,897 36,898 8.052,900 3.372,901 7.788,902 15.26,904 12.336,905 2.288,906 50.333,910 164.795,911 99.054,912 115.967,917 99.054,918 164.795,919 115.967,920 17.65,921 2.535,922 70.802,923 80.322,924 53.155,925 2.328,926 153.024,928 164.795,929 215.022,933 94.169,934 70.627,937 66.112,938 98.676,939 50.234,941 164.795,942 115.967,943 99.054,946 164.795,947 18.279,948 65.951,949 16.602,950 114.191,951 164.795,952 115.967,953 99.054,955 0.576,956 0.345,957 0.203,958 0.117,959 17,960 8,961 0.075,962 3,963 1,964 1.133,965 3.284,966 179.03,967 0.133,968 15,969 96.107,974 14.344,975 5.652,976 2.52,977 1.48,978 114.191,979 9.215,980 13.083,984 3.028,985 1.847,986 32.897,987 379.817,988 34,999 38.029,1000 43.066,1001 0.28,1002 0.729,1003 0.852,1004 0.892,1005 0.892,1006 0.892,1007 4.796,1008 1,1009 5.631,1010 2.827,1011 4.234,1012 4.871,1013 2.615,1014 6.5,1015 4.164,1016 6.038,1017 1,1018 7.223,1019 2.542,1020 3.892,1021 4.745,1023 7.532,1024 3.793,1025 7.366,1026 0.777,1027 8.921,1028 1.983,1029 5.866,1030 7.173,1031 4.398,1032 10.693,1033 5.732,1034 8.734,1035 -0.276,1036 10.683,1037 1.724,1038 6.365,1039 7.939,1041 12.593,1042 6.197,1043 10.137,1044 -0.294,1045 12.485,1046 -0.487,1047 7.831,1048 9.828,1049 6.233,1050 15.288,1051 7.631,1052 11.566,1053 -0.608,1054 14.315,1055 -0.67,1056 8.712,1057 11.021,1059 17.542,1060 8.476,1061 13.018,1062 -0.871,1063 16.168,1064 -1.575,1065 9.989,1066 12.697,1067 8.077,1068 20.091,1069 9.72,1070 3.336,1071 -1,1072 18.037,1073 -2,1074 11.045,1075 14.089,1077 22.488,1078 10.737,1079 2.724,1080 12.085,1081 19.919,1082 -2.211,1083 12.258,1084 15.681,1085 9.923,1086 24.993,1087 11.915,1088 2.501,1089 8.898,1090 21.812,1091 4.731,1092 13.391,1093 17.163,1095 27.446,1096 13.009,1097 2.226,1098 7.768,1099 23.714,1100 3.715,1101 14.586,1102 18.726,1103 11.769,1104 29.939,1105 14.167,1106 1.743,1107 6.627,1108 25.623,1109 3.202,1110 15.754,1111 20.246,1113 32.415,1114 15.297,1115 1.549,1116 4.817,1117 27.538,1118 2.934,1119 16.947,1120 21.8,1121 13.615,1122 34.906,1123 16.453,1124 1.253,1125 4.061,1126 29.459,1127 2.264,1128 18.133,1129 23.338,1131 37.39,1132 17.6,1133 4264,1134 7265,1135 15.72,1136 25.841,1137 37.443,1138 39.643,1139 38.242,1140 36.243,1141 36.219,1142 49.856,1143 5.034,1144 106.664,1145 34.901,1146 5.448,1147 6.055,1148 6.809,1149 5.373,1150 5.336,1151 7.731,1152 5.034,1153 19.549,1154 5.217,1155 11.496,1156 1.56,1157 1.652,1158 1.593,1159 1.51,1160 1.509,1161 2.077,1162 0.21,1163 4.444,1164 1.454,1165 4.134,1166 4.181,1167 4.116,1168 4.004,1169 6.818,1170 4.023,1171 3.867,1172 3.903,1173 3.808,1174 3.771,1175 5.256,1176 3.78,1177 3.577,1178 3.655,1179 3.445,1180 3.408,1181 4.881,1182 3.401,1183 3.401,1184 3.46,1185 3.333,1186 3.251,1187 4.688,1188 3.262,1189 3.18,1190 3.267,1191 3.085,1192 2.96,1193 4.474,1194 2.985,1195 2.999,1196 3.109,1197 2.878,1198 2.694,1199 4.075,1200 2.73,1201 2.874,1202 3.009,1203 2.672,1204 2.643,1205 3.735,1206 2.646,1207 2.794,1208 2.865,1209 2.616,1210 2.618,1211 3.708,1212 2.572,1213 0.198,1214 0.169,1215 0.293,1216 0.179,1217 0.139,1218 4.759,1219 0.197,1220 4.055,1221 0.105,1222 7.039,1223 0.504,1224 4.3,1225 0.134,1226 3.336,1227 4.731,1228 2.517,1229 12.085,1230 3.217,1231 1.956,1232 1.933,1233 2.047,1234 2.044,1235 1.193,1236 2.039,1237 1.807,1238 1.759,1239 1.947,1240 1.996,1241 1.142,1242 1.983,1243 1.623,1244 1.558,1245 1.788,1246 1.821,1247 0.882,1248 1.823,1249 1.368,1250 1.313,1251 1.55,1252 1.548,1253 0.631,1254 1.55,1255 1.121,1256 1.056,1257 1.417,1258 1.385,1259 0.469,1260 1.362,1261 0.934,1262 0.804,1263 1.271,1264 1.239,1265 0.291,1266 1.308,1267 0.88,1268 0.784,1269 1.167,1270 1.214,1271 0.056,1272 1.207,1273 0.767,1274 0.701,1275 0.992,1276 1.063,1277 0.024,1278 1.057,1279 3.892,1281 5.22,1282 2.398,1283 6.756,1284 4.844,1285 8.391,1286 7.081,1287 10.082,1289 4.085,1293 6.048,1295 0.364,1299 0.16,1303 8.864,1304 2.16,1305 24.762,1306 55.911,1307 145.282,1308 169.911,1309 177.911,1310 177.911,1311 177.911,1312 32.26,1313 6.959,1314 93.41,1315 93.41,1316 17,1317 12.529,1318 4.17,1319 3.459,1320 34.171,1321 62,1322 78,1323 0.276,1324 156.487,1325 257.82,1326 373.588,1327 8272,1329 15.69,1330 0.713,1331 0.567,1332 15.69,1333 12.485,1334 10.613,1335 0.442,1336 0.294,1337 6.978,1338 10.242,1339 6.737,1340 5.652,1341 10.613,1342 7.064,1343 9.538,1344 0.281,1345 0.158,1346 9.538,1347 5.38,1348 7.919,1349 0.168,1350 0.074,1351 7.919,1352 3.491,1353 7.033,1354 0.107,1355 0.038,1356 7.033,1357 2.477,1358 5.746,1359 0.068,1360 0.02,1361 5.746,1362 1.681,1363 0.412,1364 66.177,1365 0.252,1366 21.076,1367 0.825,1368 116,1369 325.538,1370 126.13,1371 328.133,1372 456.1,1373 306,1374 139,1375 348.701,1376 150.129,1377 355.901,1378 518.89,1379 334,1380 5.538}
{0 CHEMBL1241584,1 1.397,2 8.68,3 4.01,4 16.083,5 100.259,6 7.487,7 0.724,8 3.908,9 4.037,10 3.506,11 3.507,12 4.974,13 3.482,14 4.449,15 4.617,16 3.894,17 3.94,18 5.446,19 3.891,20 4.719,21 4.948,22 3.928,23 4.036,24 5.64,25 3.958,26 4.705,27 4.947,28 3.914,29 3.98,30 5.702,31 3.912,32 4.614,33 4.832,34 3.809,35 3.945,36 5.578,37 3.872,38 4.57,39 4.777,40 3.766,41 3.92,42 5.564,43 3.841,44 4.637,45 4.876,46 3.651,47 3.889,48 5.578,49 3.777,50 4.597,51 4.881,52 3.338,53 3.736,54 5.431,55 3.573,56 0.061,57 0.7,58 8.806,59 3.758,60 8.927,61 5.064,62 0.149,63 1.166,64 16.344,65 6.724,66 16.109,67 9.25,68 0.178,69 1.437,70 23.839,71 8.754,72 22.375,73 12.554,74 0.333,75 1.441,76 24.153,77 8.099,78 34.697,79 11.681,80 0.207,81 1.321,82 21.123,83 7.071,84 26.511,85 10.082,86 0.165,87 1.268,88 19.723,89 6.991,90 24.717,91 9.881,92 0.186,93 1.297,94 22.294,95 7.831,96 29.02,97 11.266,98 0.209,99 1.162,100 23.116,101 8.09,102 32.006,103 11.852,104 2,105 42,106 0.238,107 0.586,108 0.704,109 0.803,110 0.822,111 0.837,112 3.269,113 0.909,114 -5.92,115 -5.77,116 -5.37,119 45.5,121 4,127 1,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 14,174 2,175 7,177 1,178 1,180 1,183 18,185 1,186 1,187 7,195 14,198 2,199 10,201 3,202 3,204 1,207 10,209 1,212 10,217 2,220 8,222 2,224 10,229 4,232 8,234 4,237 9,242 4,245 9,247 4,250 5,255 2,258 8,260 2,263 2,268 1,271 8,273 1,275 863,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.126,282 9.487,283 10.279,284 17.744,285 14.358,286 14.358,287 14.358,288 14.358,289 14.358,290 10.755,291 7.5,292 4.884,293 14.766,294 4.063,295 2.021,296 1.327,297 0.744,298 0.636,299 0.545,300 3.985,303 1,304 1,305 1,306 494,307 2.121,310 95.706,311 164.043,314 84.315,315 91.068,318 1.238,319 15.393,321 1,322 0.75,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.84,330 52.5,331 217,332 4.766,333 3.389,334 7.051,335 4.312,336 3.348,337 4.738,339 12.147,340 3.23,341 4.397,342 2.936,343 6.29,344 3.913,345 2.92,346 4.324,348 9.49,349 2.899,350 3.902,351 2.762,352 6.138,353 3.645,354 2.674,355 3.309,357 8.944,358 2.594,359 3.758,360 2.4,361 5.749,362 3.347,363 2.376,364 3.197,366 7.628,367 2.307,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.427,375 5.69,376 1.899,377 3.118,378 1.618,379 4.532,380 2.618,381 1.618,382 2.373,384 4.49,385 1.618,386 3.079,387 1.58,388 4.367,389 2.54,390 1.579,391 2.357,393 4.098,394 1.518,395 2.863,396 1.422,397 4.235,398 2.354,399 1.381,400 2.04,402 3.529,403 1.339,404 2.638,405 1.358,406 3.681,407 2.301,408 1.334,409 1.683,411 2.993,412 1.287,413 2.456,414 1.042,415 3.593,416 1.979,417 1.032,418 1.44,420 2.544,421 0.975,422 2.141,423 0.719,424 3.25,425 1.697,426 0.708,427 0.972,428 1.763,429 0.7,430 1.853,431 0.63,432 3.161,433 1.618,434 0.618,435 0.771,436 1.497,437 0.618,438 1.618,439 0.618,440 3,441 1.603,442 0.618,443 0.618,445 1.372,446 0.608,447 1.084,448 -0.142,449 2.682,450 0.664,451 -0.271,452 -0.345,454 -0.642,455 -0.25,456 1.03,457 -0.408,458 2.461,459 0.552,460 -0.414,461 -0.584,463 -1.036,464 -0.404,465 12,466 0.48,467 0.534,468 0.021,469 35,470 1.4,471 18.5,472 0.74,473 16.5,474 0.66,475 19.099,476 0.764,477 25.2,478 0.573,479 23.352,480 0.934,481 6.398,482 0.256,483 5.911,484 0.236,485 0.033,487 0.367,493 0.842,494 1.1,495 0.766,496 0.925,497 0.966,498 0.853,499 0.726,500 1.068,501 0.841,502 1.005,503 0.586,504 0.949,505 0.948,506 1.134,507 0.874,508 0.992,509 0.686,510 0.937,511 1.08,512 0.875,513 0.884,514 0.813,515 0.952,516 0.824,517 1.523,518 1.056,519 1.122,520 0.951,521 1.214,522 0.983,523 1.385,524 1.191,525 1.178,526 1.115,527 1.447,528 1.121,529 1.268,530 1.145,531 1.174,532 1.127,533 1.486,534 1.138,535 1.102,536 0.902,537 1.103,538 0.993,539 1.22,540 1.038,541 3.5,542 0.015,543 2.889,544 1.694,545 1.709,546 0.768,547 0.47,548 0.392,549 0.155,550 0.074,551 7095,552 15318,553 2.251,554 43.2,555 4,556 8,558 1,559 2,561 4,564 1.686,565 2.174,566 3.114,567 0.233,569 1,573 61.456,574 1.397,575 3.438,576 4.132,577 4.715,578 4.823,579 4.914,580 2.504,581 4.214,582 4.616,583 3.228,584 968.475,585 8.016,586 11174.6,588 1,590 1,591 240.215,592 1.159,593 4.603,594 0.121,595 0.002,596 0.069,597 0.04,598 0.042,599 0.021,600 0.013,601 0.013,602 0.007,603 0.005,604 0.334,605 0.33,606 0.75,607 0.372,608 117.367,609 0.072,610 0.025,611 0.068,612 0.043,613 -0.033,614 0.053,615 0.201,616 0.004,617 0.041,618 -0.033,619 0.175,620 -0.018,621 0.056,622 -0.136,623 0.091,624 -0.023,625 0.15,626 0.027,627 0.183,628 0.166,629 0.112,630 0.118,631 0.143,632 0.109,633 -0.293,634 0.011,635 -0.164,636 -0.024,637 -0.184,638 -0.069,639 -0.253,640 -0.131,641 -0.242,642 -0.177,643 -0.243,644 -0.202,645 -0.193,646 -0.146,647 -0.199,648 -0.172,649 -0.237,650 -0.184,651 -0.137,652 0.015,653 -0.077,654 -0.006,655 -0.102,656 -0.03,657 1.169,658 2.215,659 0.96,660 18.941,661 0.993,662 1.123,663 4.688,664 21.973,665 0.69,666 3.401,667 3.761,668 4.127,669 4.477,670 4.736,671 4.905,672 5.1,673 5.288,674 5.398,675 5.416,676 5.262,677 0.654,678 329.44,679 3.401,680 4.963,681 5.855,682 6.765,683 7.676,684 8.596,685 9.515,686 10.439,687 11.363,688 12.29,689 11.4,693 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 44,733 21,734 2,735 29,737 48,738 20,739 15,740 3,741 7,746 5,747 7,755 5,758 5,761 15,762 5,778 1,781 19,782 4,783 2,784 5,790 5,794 0.6,803 1,806 1,811 2,812 3,815 1,816 1,840 3,848 25,849 1,854 4,858 1,877 11.5,878 7.883,879 5.361,880 2.864,881 4.269,882 1.544,883 1.069,884 3.372,885 12.117,886 3.701,887 4.391,888 5.111,889 5.811,890 6.431,891 6.873,892 7.394,893 7.925,894 8.356,895 8.697,896 0.833,897 42,898 9.234,900 4.059,901 7.5,902 18.15,904 15.814,905 2,906 50,909 1,910 200.109,911 102.795,912 84.908,917 102.795,918 200.109,919 84.908,921 10.138,922 99.231,923 63.72,924 24.056,925 2.328,926 188.338,928 200.109,929 187.703,933 153.024,934 47.084,937 25.005,938 112.463,939 50.234,941 200.109,942 84.908,943 102.795,946 200.109,947 27.843,948 76.729,950 83.131,951 200.109,952 84.908,953 102.795,955 0.585,956 0.358,957 0.21,958 0.114,959 24,960 9,961 0.042,962 2,963 2,964 1.167,965 3.714,966 230.451,967 0.167,968 24,969 110.096,974 14.709,975 5.731,976 2.359,977 4.126,978 83.131,979 16.287,980 13.657,984 2.435,985 2.074,986 32.897,987 387.811,988 39.5,999 43.694,1000 49.398,1001 0.256,1002 0.63,1003 0.757,1004 0.864,1005 0.883,1006 0.9,1007 4.943,1008 1.381,1009 5.844,1010 4.098,1011 4.443,1012 5.078,1014 6.715,1015 4.389,1016 6.171,1017 1.334,1018 7.431,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.92,1025 7.502,1026 1.032,1027 9.124,1028 2.993,1029 6.08,1030 7.42,1032 10.897,1033 5.973,1034 8.878,1035 0.708,1036 10.881,1037 2.544,1038 6.538,1039 8.204,1041 12.781,1042 6.396,1043 10.291,1044 0.618,1045 12.681,1046 1.763,1047 8.04,1048 10.104,1050 15.469,1051 7.876,1052 11.732,1053 0.618,1054 14.509,1055 1.497,1056 8.901,1057 11.303,1059 17.703,1060 8.7,1061 13.194,1062 -0.271,1063 16.358,1064 1.372,1065 10.19,1066 12.981,1068 20.242,1069 9.963,1070 3.348,1071 -0.414,1072 18.223,1073 -0.642,1074 11.231,1075 14.369,1077 22.622,1078 10.967,1079 2.92,1080 12.147,1081 20.1,1082 -1.036,1083 12.444,1084 15.958,1086 25.118,1087 12.15,1088 2.674,1089 9.49,1090 21.987,1091 4.738,1092 13.566,1093 17.429,1095 27.561,1096 13.235,1097 2.376,1098 8.944,1099 23.883,1100 4.324,1101 14.757,1102 18.985,1104 30.048,1105 14.392,1106 1.996,1107 7.628,1108 25.785,1109 3.309,1110 15.916,1111 20.493,1113 32.519,1114 15.512,1115 1.618,1116 5.69,1117 27.693,1118 3.197,1119 17.104,1120 22.037,1122 35.007,1123 16.664,1124 1.579,1125 4.49,1126 29.606,1127 2.427,1128 18.281,1129 23.563,1131 37.49,1132 17.803,1133 6470,1134 9653,1135 20.285,1136 30.358,1137 44.239,1138 44.306,1139 44.939,1140 44.473,1141 44.406,1142 60.501,1144 132.373,1145 43.182,1146 5.668,1147 5.389,1148 6.738,1149 5.387,1150 5.348,1151 7.738,1153 19.686,1154 5.23,1155 6.03,1156 1.525,1157 1.528,1158 1.55,1159 1.534,1160 1.531,1161 2.086,1163 4.565,1164 1.489,1165 4.17,1166 4.211,1167 4.145,1168 4.084,1169 5.256,1170 4.089,1171 4.012,1172 4.045,1173 3.968,1174 3.9,1175 4.923,1176 3.917,1177 3.794,1178 3.851,1179 3.668,1180 3.681,1181 4.823,1182 3.671,1183 3.468,1184 3.515,1185 3.391,1186 3.375,1187 4.513,1188 3.372,1189 3.25,1190 3.34,1191 3.17,1192 3.002,1193 4.286,1194 3.027,1195 3.054,1196 3.121,1197 2.945,1198 2.929,1199 4.141,1200 2.933,1201 2.975,1202 3.065,1203 2.861,1204 2.756,1205 3.849,1206 2.771,1207 2.869,1208 2.979,1209 2.604,1210 2.671,1211 3.682,1212 2.635,1213 0.164,1214 0.117,1215 0.243,1216 0.149,1217 0.115,1218 4.766,1219 0.163,1220 3.389,1222 7.051,1223 0.419,1224 4.312,1225 0.111,1226 3.348,1227 4.738,1229 12.147,1230 3.23,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.825,1238 1.786,1239 1.901,1240 2.01,1241 1.243,1242 1.978,1243 1.635,1244 1.58,1245 1.86,1246 1.82,1247 1.211,1248 1.812,1249 1.577,1250 1.507,1251 1.793,1252 1.751,1253 0.932,1254 1.793,1255 1.458,1256 1.411,1257 1.627,1258 1.59,1259 0.671,1260 1.608,1261 1.114,1262 1.061,1263 1.303,1264 1.349,1265 0.372,1266 1.333,1267 1.007,1268 0.942,1269 1.215,1270 1.222,1271 0.22,1272 1.24,1273 0.831,1274 0.751,1275 1.076,1276 1.138,1277 0.094,1278 1.132,1279 4.078,1281 5.425,1282 3.045,1283 6.978,1284 5.352,1285 8.628,1286 7.455,1287 10.33,1293 6.215,1295 4.797,1299 0.408,1305 28.795,1306 61.456,1307 151.279,1308 181.809,1309 207.46,1310 212.215,1311 216.215,1312 29.371,1313 7.849,1314 69.62,1315 69.62,1316 28,1317 12.795,1318 4.459,1319 3.524,1320 31.86,1321 77,1322 80,1323 0.202,1324 173.275,1325 280.4,1326 414.551,1327 26423,1329 16.803,1330 0.672,1331 0.556,1332 16.803,1333 13.891,1334 12.31,1335 0.424,1336 0.303,1337 8.711,1338 11.994,1339 8.559,1340 7.065,1341 12.31,1342 8.79,1343 11.135,1344 0.265,1345 0.161,1346 11.135,1347 6.751,1348 10.128,1349 0.166,1350 0.085,1351 10.128,1352 5.212,1353 9.1,1354 0.105,1355 0.045,1356 9.1,1357 3.938,1358 7.394,1359 0.065,1360 0.022,1361 7.394,1362 2.443,1363 0.305,1364 76.001,1365 0.222,1366 23.636,1367 0.597,1368 142,1369 333.893,1370 151.436,1371 336.469,1372 486.47,1373 318,1374 174,1375 387.293,1376 184.963,1377 394.368,1378 585.94,1379 374,1380 4.921}
{0 CHEMBL1241585,1 1.387,2 9.815,3 4.192,4 17.57,5 108.46,6 7.987,7 0.871,8 3.911,9 4.029,10 3.56,11 3.543,12 5.069,13 3.526,14 4.384,15 4.531,16 3.922,17 3.938,18 5.494,19 3.904,20 4.606,21 4.789,22 3.974,23 4.045,24 5.65,25 3.987,26 4.669,27 4.886,28 3.921,29 3.993,30 5.716,31 3.923,32 4.61,33 4.837,34 3.848,35 3.93,36 5.616,37 3.869,38 4.548,39 4.756,40 3.841,41 3.917,42 5.625,43 3.865,44 4.549,45 4.765,46 3.79,47 3.914,48 5.589,49 3.84,50 4.495,51 4.712,52 3.62,53 3.826,54 5.546,55 3.729,56 0.054,57 0.668,58 7.565,59 3.456,60 8.718,61 4.37,62 0.136,63 1.077,64 13.201,65 5.768,66 13.759,67 7.442,68 0.108,69 1.306,70 18.174,71 7.631,72 17.745,73 10.132,74 0.263,75 1.423,76 21.107,77 8.033,78 29.505,79 10.827,80 0.187,81 1.323,82 20.497,83 7.29,84 24.786,85 9.741,86 0.191,87 1.264,88 18.313,89 6.409,90 27.365,91 8.323,92 0.136,93 1.217,94 18.752,95 7.287,96 22.929,97 9.794,98 0.138,99 1.148,100 17.667,101 6.859,102 26.204,103 9.16,104 2,105 44,106 0.233,107 0.529,108 0.661,109 0.803,110 0.85,111 0.865,112 3.341,113 0.851,114 -6.14,115 -5.99,116 -5.56,119 50,125 1,142 12,143 5,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 17,174 2,175 6,177 1,178 1,180 1,183 21,185 1,186 1,187 6,195 17,198 2,199 11,201 3,202 3,204 1,207 9,209 1,212 13,217 2,220 7,222 2,224 12,229 3,232 8,234 3,237 10,242 4,245 10,247 4,250 7,255 4,258 11,260 4,263 3,268 2,271 12,273 2,275 1106,276 18.861,277 18.861,278 18.861,279 18.861,280 18.861,281 15.712,282 11.544,283 11.217,284 19.099,285 15.364,286 15.364,287 15.364,288 15.364,289 15.364,290 10.715,291 16.058,292 5.37,293 15.759,294 4.073,295 2.315,296 1.531,297 0.69,298 0.409,299 0.318,300 4.059,304 1,305 1,306 598,307 2.345,310 49.333,311 257.816,314 95.178,315 101.205,318 1.525,319 15.008,321 1,322 0.75,323 0.83,324 1,325 0.6,327 1,328 1,329 0.74,330 56.5,331 265,332 4.75,333 3.357,334 7.003,335 4.286,336 3.319,337 4.73,338 0.522,339 11.967,340 3.211,341 4.394,342 2.925,343 6.219,344 3.902,345 2.908,346 4.324,348 9.321,349 2.888,350 3.942,351 2.782,352 5.931,353 3.567,354 2.583,355 3.476,357 8.266,358 2.543,359 3.781,360 2.402,361 5.637,362 3.359,363 2.384,364 3.269,366 7.433,367 2.325,368 3.627,369 2.297,370 5.266,371 3.16,372 2.211,373 3.078,375 6.514,376 2.091,377 3.118,378 1.623,379 4.533,380 2.618,381 1.618,382 2.427,384 4.492,385 1.618,386 3.079,387 1.618,388 4.433,389 2.54,390 1.58,391 2.368,393 4.129,394 1.519,395 2.935,396 1.578,397 4.367,398 2.498,399 1.519,400 2.108,402 3.949,403 1.485,404 2.862,405 1.376,406 3.704,407 2.348,408 1.37,409 2.039,411 3.007,412 1.335,413 2.684,414 1.304,415 3.605,416 2.203,417 1.24,418 1.765,420 2.974,421 1.19,422 2.5,423 1.031,424 3.552,425 2,426 1.01,427 1.5,428 2.49,429 1,430 2.463,431 1,432 3.247,433 1.954,434 1,435 1.447,436 2.136,437 0.95,438 2.138,439 0.647,440 3.163,441 1.637,442 0.644,443 0.96,445 1.522,446 0.639,447 1.257,448 0.171,449 2.84,450 0.93,451 -0.035,452 -0.043,454 -0.093,455 -0.033,456 1.073,457 -0.166,458 2.682,459 0.653,460 -0.3,461 -0.387,463 -0.711,464 -0.282,465 13,466 0.481,467 0.551,468 0.02,469 42,470 1.556,471 24.5,472 0.907,473 17.5,474 0.648,475 17.154,476 0.635,477 26,478 0.591,479 29.842,480 1.105,481 8.379,482 0.31,483 4.913,484 0.182,485 0.031,487 0.338,493 0.85,494 1.013,495 0.717,496 0.841,497 1.047,498 0.779,499 0.808,500 0.97,501 0.829,502 0.916,503 0.724,504 0.883,505 0.903,506 1.203,507 0.927,508 1.092,509 0.852,510 1.028,511 0.952,512 1.042,513 0.991,514 1.033,515 0.878,516 1.02,517 1.418,518 1.054,519 0.984,520 0.881,521 0.954,522 0.882,523 1.629,524 1.025,525 1.082,526 0.869,527 1.51,528 0.904,529 1.121,530 1.066,531 0.974,532 0.978,533 1.02,534 0.962,535 1.23,536 1.116,537 1.193,538 1.137,539 1.288,540 1.156,541 4,542 0.037,543 2.667,544 1.854,545 1.735,546 0.716,547 0.619,548 0.449,549 0.167,550 0.142,551 8980,552 21578,553 2.231,554 38.6,556 14,558 1,559 2,564 1.706,565 2.16,566 3.275,567 0.194,569 1,573 61.011,574 1.387,575 3.144,576 3.928,577 4.769,578 5.05,579 5.141,580 2.745,581 4.31,582 4.724,583 3.4,584 1193.56,585 8.231,586 14775,588 1,590 1,591 240.215,592 1.125,593 4.716,594 0.129,595 0.003,596 0.061,597 0.041,598 0.042,599 0.018,600 0.016,601 0.012,602 0.006,603 0.007,604 0.335,605 0.33,606 0.75,607 0.352,608 131.452,609 0.059,610 0.04,611 0.054,612 0.045,613 -0.157,614 0.048,615 0.16,616 0.073,617 -0.002,618 -0.013,619 0.036,620 -0.023,621 0.042,622 -0.206,623 -0.024,624 -0.149,625 -0.003,626 -0.105,627 0.23,628 -0.013,629 -0.013,630 -0.093,631 0.141,632 -0.084,633 -0.181,634 -0.017,635 0.013,636 0.06,637 0.021,638 0.059,639 -0.318,640 0.051,641 -0.126,642 0.038,643 -0.241,644 -0.01,645 -0.101,646 -0.074,647 -0.006,648 -0.013,649 0.028,650 -0.001,651 -0.202,652 -0.125,653 -0.225,654 -0.176,655 -0.122,656 -0.198,657 1.22,658 2.209,659 0.926,660 23.443,661 0.996,662 1.113,663 4.912,664 24.125,665 0.718,666 3.466,667 3.807,668 4.143,669 4.477,670 4.762,671 4.868,672 5.081,673 5.288,674 5.421,675 5.472,676 5.826,677 0.688,678 351.44,679 3.466,680 5.017,681 5.894,682 6.792,683 7.689,684 8.597,685 9.504,686 10.418,687 11.331,688 12.249,689 11.4,693 1,697 1,699 3,703 4,704 13,705 3,709 4,710 1,711 27,722 1,731 44,733 27,734 3,735 31,737 48,738 22,739 21,740 4,741 12,746 5,747 7,761 21,762 1,778 1,781 17,782 4,783 2,784 5,790 5,794 0.6,803 1,806 1,811 1,812 4,815 1,816 1,840 3,848 27,849 1,854 1,877 12.5,878 7.967,879 5.833,880 2.55,881 5.035,882 1.63,883 1.081,884 3.755,885 13.032,886 3.818,887 4.514,888 5.213,889 5.9,890 6.522,891 6.907,892 7.454,893 8.011,894 8.474,895 8.85,896 0.857,897 45,898 9.914,900 4.284,901 7.568,902 19.145,904 16.093,905 2.068,906 55.833,909 1,910 176.567,911 145.329,912 84.908,917 145.329,918 176.567,919 84.908,921 2.106,922 146.612,923 63.72,924 27.242,925 2.328,926 164.795,928 176.567,929 230.237,933 176.567,937 16.973,938 163.03,939 50.234,941 176.567,942 84.908,943 145.329,946 176.567,947 22.996,948 124.11,950 83.131,951 176.567,952 84.908,953 145.329,955 0.58,956 0.347,957 0.201,958 0.115,959 24,960 9,961 0.063,962 3,963 2,964 1.16,965 3.922,966 249.744,967 0.16,968 25,969 124.382,974 15.833,975 6.403,976 2.796,977 3.896,978 83.131,979 26.283,980 13.502,984 3.42,985 1.896,986 32.897,987 406.804,988 44.5,999 43.811,1000 48.983,1001 0.254,1002 0.576,1003 0.719,1004 0.874,1005 0.925,1006 0.942,1007 5.035,1008 1.519,1009 5.872,1010 4.129,1011 4.489,1012 5.201,1013 0.434,1014 6.715,1015 4.439,1016 6.269,1017 1.37,1018 7.44,1019 3.949,1020 4.007,1021 5.007,1023 7.664,1024 3.931,1025 7.592,1026 1.24,1027 9.113,1028 3.007,1029 6.098,1030 7.534,1031 0.138,1032 10.83,1033 6.002,1034 8.958,1035 1.01,1036 10.851,1037 2.974,1038 6.494,1039 8.238,1041 12.674,1042 6.368,1043 10.359,1044 1,1045 12.633,1046 2.49,1047 8.022,1048 10.183,1049 0.039,1050 15.353,1051 7.877,1052 11.788,1053 0.644,1054 14.445,1055 2.136,1056 8.836,1057 11.326,1059 17.567,1060 8.657,1061 13.238,1062 -0.035,1063 16.279,1064 1.522,1065 10.137,1066 13.025,1067 0.011,1068 20.095,1069 9.936,1070 3.319,1071 -0.3,1072 18.131,1073 -0.093,1074 11.149,1075 14.379,1077 22.462,1078 10.912,1079 2.908,1080 11.967,1081 19.997,1082 -0.711,1083 12.364,1084 15.976,1085 0.003,1086 24.948,1087 12.101,1088 2.583,1089 9.321,1090 21.874,1091 4.73,1092 13.467,1093 17.429,1095 27.379,1096 13.168,1097 2.384,1098 8.266,1099 23.761,1100 4.324,1101 14.654,1102 18.986,1103 0.001,1104 29.855,1105 14.324,1106 2.211,1107 7.433,1108 25.655,1109 3.476,1110 15.801,1111 20.485,1113 32.313,1114 15.434,1115 1.618,1116 6.514,1117 27.556,1118 3.269,1119 16.982,1120 22.028,1122 34.789,1123 16.582,1124 1.58,1125 4.492,1126 29.464,1127 3.078,1128 18.149,1129 23.548,1131 37.259,1132 17.713,1133 8218,1134 12882,1135 21.671,1136 31.597,1137 47.222,1138 46.887,1139 47.516,1140 46.812,1141 46.771,1142 66.982,1143 1.043,1144 136.399,1145 45.587,1146 5.517,1147 5.357,1148 6.805,1149 5.359,1150 5.319,1151 7.73,1152 1.043,1153 19.359,1154 5.211,1155 6.397,1156 1.523,1157 1.512,1158 1.533,1159 1.51,1160 1.509,1161 2.161,1162 0.034,1163 4.4,1164 1.471,1165 4.165,1166 4.204,1167 4.141,1168 4.083,1169 5.258,1170 4.088,1171 4.007,1172 4.04,1173 3.966,1174 3.905,1175 4.927,1176 3.918,1177 3.871,1178 3.904,1179 3.803,1180 3.798,1181 4.832,1182 3.799,1183 3.468,1184 3.518,1185 3.393,1186 3.377,1187 4.729,1188 3.373,1189 3.348,1190 3.429,1191 3.264,1192 3.111,1193 4.503,1194 3.135,1195 3.074,1196 3.13,1197 2.97,1198 2.977,1199 4.251,1200 2.968,1201 2.977,1202 3.077,1203 2.868,1204 2.835,1205 3.86,1206 2.84,1207 2.951,1208 3.026,1209 2.81,1210 2.735,1211 3.734,1212 2.715,1213 0.153,1214 0.108,1215 0.226,1216 0.138,1217 0.107,1218 4.75,1219 0.153,1220 3.357,1221 0.017,1222 7.003,1223 0.386,1224 4.286,1225 0.104,1226 3.319,1227 4.73,1228 0.522,1229 11.967,1230 3.211,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.923,1238 1.89,1239 2.045,1240 2.045,1241 1.173,1242 2.038,1243 1.798,1244 1.763,1245 1.85,1246 1.943,1247 0.95,1248 1.927,1249 1.526,1250 1.48,1251 1.662,1252 1.703,1253 0.749,1254 1.686,1255 1.318,1256 1.251,1257 1.515,1258 1.527,1259 0.611,1260 1.533,1261 1.082,1262 1.034,1263 1.295,1264 1.241,1265 0.364,1266 1.25,1267 0.954,1268 0.896,1269 1.182,1270 1.22,1271 0.218,1272 1.234,1273 0.886,1274 0.821,1275 1.181,1276 1.088,1277 0.156,1278 1.107,1279 4.143,1281 5.476,1282 2.398,1283 7.02,1284 4.844,1285 8.659,1286 7.066,1287 10.346,1293 6.209,1295 0.626,1305 30.268,1306 61.011,1307 138.335,1308 172.831,1309 209.85,1310 222.215,1311 226.215,1312 30.356,1313 7.997,1314 69.62,1315 69.62,1316 29,1317 12.76,1318 4.807,1319 3.858,1320 35.541,1321 92,1322 98,1323 0.187,1324 183.678,1325 296.18,1326 439.934,1327 32930,1329 18.217,1330 0.675,1331 0.54,1332 18.217,1333 14.579,1334 13.293,1335 0.429,1336 0.284,1337 8.715,1338 12.974,1339 8.529,1340 7.075,1341 13.293,1342 8.795,1343 11.927,1344 0.271,1345 0.148,1346 11.927,1347 6.511,1348 10.57,1349 0.17,1350 0.077,1351 10.57,1352 4.757,1353 9.381,1354 0.108,1355 0.039,1356 9.381,1357 3.436,1358 8.044,1359 0.069,1360 0.021,1361 8.044,1362 2.427,1363 0.286,1364 81.937,1365 0.215,1366 25.508,1367 0.54,1368 150,1369 373.893,1370 159.103,1371 379.434,1372 543.72,1373 358,1374 181,1375 425.941,1376 191.63,1377 437.269,1378 643.06,1379 413,1380 4}
{0 CHEMBL1241586,1 1.646,2 8.043,3 1.289,4 1.662,5 86.938,6 8.141,7 0.615,8 3.791,9 3.93,10 3.434,11 3.277,12 4.983,13 3.299,14 4.293,15 4.468,16 3.852,17 3.685,18 5.489,19 3.691,20 4.486,21 4.683,22 3.868,23 3.784,24 5.637,25 3.777,26 4.551,27 4.778,28 3.837,29 3.795,30 5.69,31 3.76,32 4.476,33 4.69,34 3.676,35 3.722,36 5.581,37 3.674,38 4.386,39 4.586,40 3.627,41 3.658,42 5.524,43 3.605,44 4.493,45 4.757,46 3.438,47 3.575,48 5.566,49 3.471,50 4.336,51 4.644,52 3.19,53 3.272,54 5.3,55 3.156,56 0.109,57 0.667,58 6.848,59 2.655,60 9.761,61 3.499,62 0.303,63 1.033,64 12.987,65 4.743,66 25.432,67 6.591,68 0.325,69 1.168,70 16.885,71 5.271,72 29.355,73 7.374,74 0.395,75 1.194,76 19.235,77 6.058,78 36.118,79 8.754,80 0.352,81 1.082,82 17.443,83 5.504,84 35.43,85 7.693,86 0.261,87 1.032,88 14.88,89 5.205,90 27.818,91 7.306,92 0.445,93 0.987,94 19.893,95 5.837,96 47.316,97 8.802,98 0.39,99 0.738,100 19.629,101 5.454,102 34.867,103 8.667,104 18,105 39,106 0.292,107 0.704,108 0.789,109 0.82,110 0.83,111 0.839,112 3.19,113 0.837,114 -3.6,115 -3.57,116 -3.41,119 39.5,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,159 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 3,179 1,180 3,183 4,185 1,186 1,187 5,192 4,195 3,198 2,199 9,201 3,202 3,204 3,207 3,209 1,212 7,215 1,217 3,220 2,222 2,224 4,227 2,229 4,232 4,234 3,236 1,237 1,240 3,241 1,244 1,245 2,249 1,253 2,254 1,255 2,257 1,262 2,265 1,266 1,268 2,275 675,276 15.378,277 15.378,278 15.378,279 15.378,280 15.378,281 13.392,282 19.165,283 8.745,284 15.73,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.678,291 22.901,292 4.141,293 13.399,294 3.602,295 1.274,296 0.796,297 0.619,298 0.566,299 0.513,300 3.883,304 1,305 1,306 406,307 2.739,310 86.914,311 100.805,314 157.005,318 1.18,319 22.169,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.5,331 185,332 4.761,333 3.616,334 7.039,335 4.304,336 3.34,337 4.732,338 1.656,339 12.088,340 3.222,341 4.331,342 3.372,343 6.293,344 3.957,345 2.992,346 3.959,347 0.247,348 9.591,349 2.882,350 3.854,351 2.854,352 6.097,353 3.534,354 2.575,355 3.242,357 8.653,358 2.466,359 3.753,360 2.654,361 5.724,362 3.366,363 2.405,364 3.159,366 7.504,367 2.306,368 3.358,369 2.383,370 4.829,371 2.915,372 1.917,373 2.576,375 5.334,376 1.895,377 3.027,378 1.821,379 4.808,380 2.682,381 1.741,382 2.207,384 4.818,385 1.635,386 2.967,387 1.708,388 4.517,389 2.492,390 1.534,391 2.12,393 4.435,394 1.468,395 2.874,396 1.525,397 4.353,398 2.427,399 1.471,400 2.006,402 3.952,403 1.398,404 2.522,405 1.084,406 3.86,407 2.008,408 1.06,409 1.53,411 2.758,412 1.002,413 2.129,414 0.866,415 3.492,416 1.782,417 0.818,418 1.036,420 2.059,421 0.787,422 1.632,423 0.588,424 3.162,425 1.344,426 0.397,427 0.475,428 1.055,429 0.375,430 1.062,431 0.545,432 2.685,433 0.635,434 -0.285,435 -0.362,436 -0.67,437 -0.261,438 1,439 -0.152,440 2.425,441 0.528,442 -0.482,443 -0.655,445 -1.278,446 -0.479,447 0.722,448 -0.54,449 2.262,450 0.276,451 -0.718,452 -0.987,454 -1.979,455 -0.704,456 0.549,457 -0.789,458 2.229,459 0.063,460 -0.883,461 -1,463 -2,464 -0.833,465 10.633,466 0.462,467 0.716,468 0.031,469 33.25,470 1.446,471 17,472 0.739,473 16.25,474 0.707,475 16.39,476 0.713,477 24.167,478 0.636,479 23.207,480 1.009,481 6.352,482 0.276,483 4.69,484 0.204,485 0.163,487 0.461,493 0.882,494 1.337,495 0.724,496 0.986,497 0.756,498 0.838,499 0.531,500 1.102,501 0.622,502 0.911,503 0.457,504 0.803,505 1.154,506 1.196,507 0.946,508 0.972,509 0.953,510 0.921,511 0.808,512 0.945,513 0.901,514 0.938,515 0.617,516 0.928,517 1.172,518 1.051,519 1.16,520 1.059,521 1.022,522 1.094,523 0.903,524 1.319,525 1.159,526 1.339,527 0.854,528 1.304,529 0.802,530 0.899,531 1.159,532 1.108,533 0.85,534 1.18,535 0.617,536 0.798,537 0.76,538 0.895,539 0.7,540 0.863,541 5,542 0.012,543 2.889,544 2.458,545 1.762,546 0.851,547 0.54,548 0.345,549 0.285,550 0.119,551 5194,552 15082,553 2.115,554 39.5,556 4,558 1,559 4,561 6,564 1.663,565 1.944,566 3.011,567 1.908,568 1,569 1,571 1,573 62.563,574 1.646,575 3.974,576 4.451,577 4.629,578 4.682,579 4.735,580 2.442,581 4.35,582 4.497,583 3.132,584 792.445,585 7.772,586 8611.62,587 1,588 1,591 199.421,592 1.491,593 4.44,594 0.192,595 0.004,596 0.074,597 0.063,598 0.048,599 0.027,600 0.019,601 0.016,602 0.017,603 0.012,604 0.472,605 0.33,606 1,607 0.832,608 104.632,609 -0.106,610 -0.115,611 0.033,612 0.012,613 -0.144,614 0.047,615 0.291,616 0.026,617 0.221,618 0.085,619 0.182,620 0.126,621 -0.206,622 -0.126,623 -0.051,624 -0.004,625 -0.099,626 0.004,627 0.028,628 0.079,629 0.037,630 0.03,631 0.058,632 0.035,633 -0.243,634 -0.026,635 -0.237,636 -0.082,637 -0.13,638 -0.142,639 -0.109,640 -0.261,641 -0.281,642 -0.35,643 -0.118,644 -0.354,645 0.058,646 0.028,647 -0.145,648 -0.151,649 -0.069,650 -0.181,651 0.291,652 -0.026,653 0.378,654 0.094,655 0.165,656 0.228,657 1.905,658 4.426,659 0.783,660 15.898,661 1.015,662 1.141,663 2.374,664 5.634,665 0.672,666 3.296,667 3.689,668 4.025,669 4.382,670 4.625,671 4.762,672 4.905,673 5.075,674 5.112,675 5.198,676 4.958,677 0.657,678 309.37,679 3.296,680 4.875,681 5.765,682 6.688,683 7.6,684 8.528,685 9.447,686 10.376,687 11.299,688 12.228,689 18.4,693 1,696 2,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,731 38,733 17,734 1,735 26,737 41,738 15,739 11,740 3,741 3,746 4,747 6,751 1,752 2,758 1,761 12,762 3,766 1,771 1,775 1,777 1,778 1,781 15,782 7,783 4,784 8,790 7,794 0.5,795 1,803 1,806 1,811 2,812 2,815 2,840 2,844 2,848 23,849 1,855 2,858 1,870 2.6,873 1,877 11.833,878 7.467,879 4.861,880 2.239,881 3.336,882 1.446,883 1.037,884 3.078,885 10.813,886 3.584,887 4.273,888 4.948,889 5.647,890 6.23,891 6.646,892 7.113,893 7.595,894 7.888,895 8.246,896 1,897 39,898 8.445,900 3.699,901 7.833,902 15.887,904 13.282,905 2.333,906 53.667,910 129.482,911 77.046,912 120.929,914 25.145,917 77.046,918 154.627,919 120.929,920 17.65,921 36.022,922 61.326,923 88.865,924 24.424,925 6.604,926 117.711,928 129.482,929 197.975,930 25.145,933 58.856,934 95.772,937 68.539,938 79.202,939 50.234,941 129.482,942 146.074,943 77.046,946 129.482,947 22.348,948 56.474,949 36.022,950 108.276,951 129.482,952 146.074,953 77.046,955 0.6,956 0.358,957 0.208,958 0.117,959 22,960 10,961 0.049,962 2,963 2,964 1.222,965 3.409,966 201.072,967 0.222,968 18,969 102.042,974 14.121,975 5.013,976 2.168,977 1.42,978 144.298,979 7.036,980 13.069,984 3.402,985 1.826,986 68.919,987 352.602,988 35,993 11.426,997 -0.238,999 38.574,1000 43.358,1001 0.314,1002 0.757,1003 0.848,1004 0.882,1005 0.892,1006 0.902,1007 4.852,1008 1.471,1009 5.79,1010 4.435,1011 4.369,1012 4.959,1013 1.758,1014 6.681,1015 4.289,1016 6.103,1017 1.06,1018 7.398,1019 3.952,1020 4.111,1021 4.945,1022 1.195,1023 7.716,1024 4.008,1025 7.447,1026 0.818,1027 9.105,1028 2.758,1029 6.038,1030 7.274,1031 2.415,1032 10.87,1033 5.882,1034 8.829,1035 0.397,1036 10.869,1037 2.059,1038 6.581,1039 8.092,1040 2.324,1041 12.75,1042 6.397,1043 10.245,1044 -0.285,1045 12.669,1046 1.055,1047 8.023,1048 9.931,1049 3.244,1050 15.435,1051 7.796,1052 11.685,1053 -0.482,1054 14.496,1055 -0.67,1056 8.923,1057 11.141,1058 3.407,1059 17.666,1060 8.663,1061 13.145,1062 -0.718,1063 16.343,1064 -1.278,1065 10.188,1066 12.791,1067 4.156,1068 20.201,1069 9.89,1070 3.34,1071 -0.883,1072 18.205,1073 -1.979,1074 11.247,1075 14.183,1076 4.464,1077 22.579,1078 10.915,1079 2.992,1080 12.088,1081 20.08,1082 -2,1083 12.451,1084 15.761,1085 5.111,1086 25.07,1087 12.082,1088 2.575,1089 9.591,1090 21.965,1091 4.732,1092 13.58,1093 17.238,1094 5.504,1095 27.509,1096 13.176,1097 2.405,1098 8.653,1099 23.858,1100 3.959,1101 14.765,1102 18.791,1103 6.091,1104 29.992,1105 14.326,1106 1.917,1107 7.504,1108 25.759,1109 3.242,1110 15.926,1111 20.305,1112 6.531,1113 32.458,1114 15.451,1115 1.741,1116 5.334,1117 27.665,1118 3.159,1119 17.11,1120 21.852,1121 7.083,1122 34.941,1123 16.599,1124 1.534,1125 4.818,1126 29.577,1127 2.576,1128 18.286,1129 23.385,1130 7.551,1131 37.42,1132 17.74,1133 4968,1134 8602,1135 17.224,1136 25.54,1137 40.797,1138 41.603,1139 42.351,1140 40.467,1141 40.504,1142 54.084,1143 3.806,1144 124.49,1145 38.873,1146 5.583,1147 5.616,1148 6.567,1149 5.377,1150 5.34,1151 7.732,1152 2.912,1153 19.557,1154 5.222,1155 11.774,1156 1.569,1157 1.6,1158 1.629,1159 1.556,1160 1.558,1161 2.08,1162 0.146,1163 4.788,1164 1.495,1165 4.14,1166 4.186,1167 4.122,1168 4.005,1169 7.431,1170 4.026,1171 3.921,1172 3.964,1173 3.884,1174 3.777,1175 5.256,1176 3.799,1177 3.578,1178 3.655,1179 3.445,1180 3.408,1181 4.885,1182 3.401,1183 3.408,1184 3.454,1185 3.357,1186 3.167,1187 4.728,1188 3.212,1189 3.143,1190 3.23,1191 3.044,1192 2.891,1193 4.488,1194 2.922,1195 2.991,1196 3.097,1197 2.872,1198 2.716,1199 4.108,1200 2.735,1201 2.874,1202 3.009,1203 2.733,1204 2.663,1205 3.936,1206 2.685,1207 2.862,1208 2.94,1209 2.525,1210 2.618,1211 3.74,1212 2.57,1213 0.183,1214 0.139,1215 0.271,1216 0.166,1217 0.128,1218 4.761,1219 0.182,1220 3.616,1221 0.064,1222 7.039,1223 0.465,1224 4.304,1225 0.124,1226 3.34,1227 4.732,1228 1.656,1229 12.088,1230 3.222,1231 1.926,1232 1.903,1233 1.992,1234 2.036,1235 1.158,1236 2.017,1237 1.795,1238 1.745,1239 1.944,1240 1.975,1241 1.125,1242 1.967,1243 1.61,1244 1.545,1245 1.769,1246 1.807,1247 0.842,1248 1.808,1249 1.272,1250 1.224,1251 1.417,1252 1.629,1253 0.469,1254 1.56,1255 1.14,1256 1.079,1257 1.395,1258 1.406,1259 0.334,1260 1.375,1261 0.934,1262 0.804,1263 1.254,1264 1.239,1265 0.27,1266 1.308,1267 0.886,1268 0.794,1269 1.145,1270 1.231,1271 0.071,1272 1.215,1273 0.808,1274 0.745,1275 1.069,1276 1.082,1277 0.033,1278 1.073,1279 3.97,1281 5.342,1282 3.045,1283 6.903,1284 5.476,1285 8.554,1286 7.644,1287 10.254,1289 4.058,1293 6.056,1296 5.476,1299 0.136,1305 24.972,1306 62.563,1307 151.015,1308 169.157,1309 175.911,1310 177.911,1311 179.911,1312 31.359,1313 7.477,1314 118.27,1315 118.27,1316 22,1317 12.731,1318 4.17,1319 3.322,1320 31.654,1321 67,1322 72,1323 0.236,1324 153.219,1325 250.59,1326 365.615,1327 16191,1329 16.137,1330 0.702,1331 0.55,1332 16.137,1333 12.661,1334 11.042,1335 0.425,1336 0.279,1337 7.129,1338 10.524,1339 6.938,1340 5.777,1341 11.042,1342 7.255,1343 10.627,1344 0.272,1345 0.146,1346 10.627,1347 5.684,1348 8.989,1349 0.163,1350 0.069,1351 8.989,1352 3.797,1353 8.122,1354 0.103,1355 0.035,1356 8.122,1357 2.737,1358 6.66,1359 0.066,1360 0.018,1361 6.66,1362 1.846,1363 0.353,1364 69.787,1365 0.241,1366 21.874,1367 0.699,1368 130,1369 384.294,1370 145.924,1371 376.926,1372 529.23,1373 352,1374 159,1375 414.436,1376 175.315,1377 417.226,1378 617.58,1379 393,1380 5.658}
{0 CHEMBL1241587,1 1.565,2 7.364,3 2.484,4 6.172,5 86.335,6 7.574,7 0.64,8 3.798,9 3.925,10 3.395,11 3.314,12 4.901,13 3.311,14 4.334,15 4.512,16 3.792,17 3.717,18 5.38,19 3.704,20 4.514,21 4.718,22 3.814,23 3.811,24 5.544,25 3.776,26 4.553,27 4.776,28 3.781,29 3.819,30 5.608,31 3.761,32 4.497,33 4.726,34 3.606,35 3.761,36 5.454,37 3.678,38 4.422,39 4.631,40 3.591,41 3.696,42 5.48,43 3.622,44 4.515,45 4.777,46 3.348,47 3.616,48 5.446,49 3.49,50 4.372,51 4.678,52 3.041,53 3.344,54 5.194,55 3.172,56 0.054,57 0.633,58 7.913,59 3.257,60 8.482,61 4.335,62 0.191,63 1.005,64 15.32,65 5.581,66 18.613,67 7.621,68 0.231,69 1.161,70 19.152,71 6.23,72 22.311,73 8.911,74 0.328,75 1.205,76 20.299,77 6.618,78 32.406,79 9.561,80 0.204,81 1.12,82 19.055,83 6.189,84 22.941,85 9.198,86 0.193,87 1.049,88 17.166,89 5.776,90 25.908,91 8.478,92 0.302,93 1.024,94 20.86,95 6.272,96 34.006,97 9.498,98 0.349,99 0.775,100 19.795,101 6.171,102 32.632,103 9.495,104 11,105 37,106 0.277,107 0.678,108 0.808,109 0.83,110 0.83,111 0.83,112 3.149,113 0.888,114 -4.63,115 -4.55,116 -4.28,119 41,120 2,121 1,125 1,127 1,142 3,143 3,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 10,177 1,178 1,180 1,183 7,185 1,186 1,187 7,195 6,198 2,199 9,201 3,202 3,204 1,207 5,209 1,212 7,217 2,220 3,222 2,223 1,224 8,229 4,232 4,234 4,236 1,237 2,242 1,245 4,247 1,249 2,252 1,253 1,258 2,263 2,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 13.099,282 15.546,283 8.559,284 15.322,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 9.428,291 13.41,292 4.022,293 12.961,294 3.72,295 1.457,296 0.725,297 0.603,298 0.603,299 0.603,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 17.37,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 162,332 4.76,333 3.383,334 7.039,335 4.303,336 3.339,337 4.732,338 0.86,339 12.088,340 3.221,341 4.284,342 3.205,343 6.253,344 3.897,345 2.93,346 3.929,348 9.393,349 2.833,350 3.828,351 2.689,352 6.073,353 3.511,354 2.557,355 3.222,357 8.572,358 2.436,359 3.716,360 2.462,361 5.713,362 3.326,363 2.37,364 3.122,366 7.457,367 2.264,368 3.037,369 1.901,370 4.82,371 2.684,372 1.743,373 2.268,375 4.819,376 1.637,377 2.996,378 1.82,379 4.518,380 2.52,381 1.55,382 2.129,384 4.378,385 1.505,386 2.885,387 1.641,388 4.333,389 2.475,390 1.533,391 2.023,393 4.044,394 1.432,395 2.541,396 1.403,397 3.864,398 2.072,399 1.153,400 1.558,402 2.795,403 1.053,404 2.197,405 1.055,406 3.509,407 1.949,408 1,409 1.165,411 2.398,412 0.942,413 2.107,414 0.853,415 3.419,416 1.767,417 0.806,418 1.016,420 2.014,421 0.772,422 1.629,423 0.619,424 3.036,425 1.34,426 0.396,427 0.473,428 0.984,429 0.372,430 1.06,431 -0.147,432 2.652,433 0.627,434 -0.288,435 -0.365,436 -0.673,437 -0.263,438 0.783,439 -0.437,440 2.424,441 0.373,442 -0.59,443 -0.767,445 -1.644,446 -0.564,447 0.599,448 -0.762,449 2.259,450 0.114,451 -0.841,452 -1,454 -2,455 -0.787,456 0.434,457 -0.834,458 2.206,459 0.038,460 -0.922,461 -1.138,463 -2.365,464 -0.897,465 10.333,466 0.47,467 0.61,468 0.028,469 30,470 1.364,471 15,472 0.682,473 15,474 0.682,475 16.946,476 0.77,477 23.267,478 0.597,479 19.796,480 0.9,481 5.62,482 0.255,483 5.027,484 0.229,485 0.135,487 0.426,493 0.875,494 1.269,495 0.757,496 1.066,497 1.045,498 0.919,499 0.995,500 1.04,501 0.729,502 0.894,503 0.703,504 0.797,505 1.177,506 1.152,507 0.925,508 0.947,509 0.876,510 0.905,511 0.913,512 0.953,513 0.972,514 0.939,515 0.962,516 0.957,517 0.954,518 1.12,519 1.121,520 1.071,521 0.959,522 1.096,523 0.897,524 1.302,525 1.134,526 1.238,527 1.15,528 1.215,529 1.049,530 1.003,531 1.235,532 1.11,533 1.548,534 1.171,535 0.607,536 0.759,537 0.878,538 0.915,539 0.741,540 0.935,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 11426,553 2.148,554 43.6,556 6,558 1,559 2,561 8,564 1.652,565 2,566 2.918,567 0.348,568 1,569 1,571 1,573 61.034,574 1.565,575 3.829,576 4.561,577 4.683,578 4.683,579 4.683,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,590 1,591 206.131,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.5,606 1,607 0.797,608 98.122,609 0.006,610 -0.074,611 0.069,612 -0.034,613 -0.136,614 0.019,615 0.063,616 0.049,617 0.183,618 0.107,619 0.149,620 0.15,621 -0.129,622 -0.093,623 0.013,624 0.02,625 0.013,626 0.034,627 0.033,628 0.109,629 -0.028,630 0.011,631 0.05,632 -0.019,633 -0.183,634 -0.068,635 -0.195,636 -0.107,637 -0.122,638 -0.14,639 -0.06,640 -0.237,641 -0.221,642 -0.268,643 -0.08,644 -0.267,645 -0.115,646 -0.038,647 -0.246,648 -0.171,649 -0.375,650 -0.211,651 0.315,652 0.052,653 0.18,654 0.062,655 0.233,656 0.099,657 1.205,658 2.092,659 0.818,660 14.281,661 1.004,662 1.133,663 3.396,664 11.533,665 0.668,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.641,678 295.38,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 1,731 39,733 16,734 1,735 25,737 42,738 16,739 11,740 3,741 3,746 4,747 6,752 2,755 1,758 2,761 11,762 5,777 1,778 1,781 17,782 5,783 2,784 6,790 5,794 0.5,795 1,803 1,806 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,854 2,856 1,858 1,870 2.6,875 1,877 11,878 7.717,879 4.694,880 2.447,881 3.221,882 1.438,883 1.022,884 3.047,885 10.579,886 3.526,887 4.216,888 4.919,889 5.604,890 6.182,891 6.605,892 7.056,893 7.521,894 7.796,895 8.117,896 0.8,897 37,898 8.101,900 3.504,901 7.614,902 15.638,904 13.179,905 2.114,906 46.5,910 176.567,911 82.812,912 84.908,914 11,917 82.812,918 187.566,919 84.908,920 17.65,921 7.127,922 61.326,923 63.72,924 38.339,925 2.328,926 164.795,928 176.567,929 167.72,930 11,933 82.398,934 105.169,937 39.645,938 77.841,939 50.234,941 176.567,942 95.908,943 82.812,946 176.567,947 28.114,948 56.474,950 94.131,951 176.567,952 95.908,953 82.812,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.048,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.527,975 4.956,976 2.082,977 1.587,978 94.131,979 7.626,980 13.233,984 4.482,985 1.895,986 32.897,987 355.286,988 33,999 39.138,1000 44.192,1001 0.296,1002 0.724,1003 0.863,1004 0.886,1005 0.886,1006 0.886,1007 4.787,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.902,1013 0.908,1014 6.621,1015 4.228,1016 6.028,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.856,1023 7.667,1024 3.895,1025 7.369,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.228,1031 0.739,1032 10.823,1033 5.817,1034 8.753,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.048,1041 12.718,1042 6.32,1043 10.172,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 9.902,1049 0.593,1050 15.4,1051 7.736,1052 11.618,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.115,1059 17.638,1060 8.602,1061 13.083,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.771,1067 0.469,1068 20.174,1069 9.836,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.166,1077 22.556,1078 10.861,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.747,1085 0.366,1086 25.05,1087 12.032,1088 2.557,1089 9.393,1090 21.937,1091 4.732,1092 13.524,1093 17.225,1095 27.492,1096 13.126,1097 2.37,1098 8.572,1099 23.832,1100 3.929,1101 14.711,1102 18.78,1103 0.283,1104 29.977,1105 14.279,1106 1.743,1107 7.457,1108 25.735,1109 3.222,1110 15.873,1111 20.295,1113 32.445,1114 15.405,1115 1.55,1116 4.819,1117 27.643,1118 3.122,1119 17.058,1120 21.843,1121 0.217,1122 34.93,1123 16.556,1124 1.533,1125 4.378,1126 29.556,1127 2.268,1128 18.236,1129 23.377,1131 37.411,1132 17.698,1133 4398,1134 7032,1135 16.819,1136 26.051,1137 38.92,1138 39.245,1139 40.034,1140 38.747,1141 38.753,1142 51.273,1143 1.72,1144 117.881,1145 36.935,1146 5.583,1147 5.383,1148 6.567,1149 5.376,1150 5.339,1151 7.732,1152 1.72,1153 19.555,1154 5.221,1155 9.728,1156 1.557,1157 1.57,1158 1.601,1159 1.55,1160 1.55,1161 2.051,1162 0.069,1163 4.715,1164 1.477,1165 4.14,1166 4.185,1167 4.121,1168 4.012,1169 5.256,1170 4.031,1171 3.92,1172 3.948,1173 3.869,1174 3.796,1175 4.907,1176 3.813,1177 3.577,1178 3.655,1179 3.445,1180 3.41,1181 4.811,1182 3.401,1183 3.4,1184 3.454,1185 3.289,1186 3.242,1187 4.513,1188 3.244,1189 3.144,1190 3.237,1191 3.019,1192 2.921,1193 4.237,1194 2.94,1195 2.992,1196 3.099,1197 2.87,1198 2.705,1199 4.025,1200 2.734,1201 2.874,1202 3.009,1203 2.717,1204 2.654,1205 3.719,1206 2.666,1207 2.845,1208 2.904,1209 2.499,1210 2.618,1211 3.663,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.76,1219 0.189,1220 3.383,1221 0.034,1222 7.039,1223 0.484,1224 4.303,1225 0.129,1226 3.339,1227 4.732,1228 0.86,1229 12.088,1230 3.221,1231 1.932,1232 1.913,1233 2.007,1234 2.035,1235 1.211,1236 2.018,1237 1.798,1238 1.75,1239 1.946,1240 1.974,1241 1.144,1242 1.969,1243 1.613,1244 1.549,1245 1.781,1246 1.806,1247 0.962,1248 1.81,1249 1.415,1250 1.359,1251 1.679,1252 1.643,1253 0.806,1254 1.657,1255 1.139,1256 1.087,1257 1.417,1258 1.403,1259 0.469,1260 1.372,1261 0.934,1262 0.804,1263 1.256,1264 1.239,1265 0.297,1266 1.308,1267 0.878,1268 0.79,1269 1.146,1270 1.224,1271 0.209,1272 1.209,1273 0.799,1274 0.735,1275 1.103,1276 1.07,1277 0.042,1278 1.06,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.149,1293 6.092,1295 1.67,1297 5.569,1299 0.198,1305 24.983,1306 61.034,1307 149.322,1308 177.866,1309 182.621,1310 182.621,1311 182.621,1312 26.774,1313 7.358,1314 78.85,1315 78.85,1316 22,1317 12.673,1318 4.087,1319 3.17,1320 29.673,1321 61,1322 56,1323 0.243,1324 152.15,1325 248.53,1326 363.007,1327 14040,1329 15.267,1330 0.694,1331 0.572,1332 15.267,1333 12.575,1334 10.648,1335 0.426,1336 0.296,1337 7.285,1338 10.191,1339 7.072,1340 5.863,1341 10.648,1342 7.397,1343 9.981,1344 0.27,1345 0.156,1346 9.981,1347 5.765,1348 8.729,1349 0.165,1350 0.075,1351 8.729,1352 3.97,1353 7.769,1354 0.104,1355 0.039,1356 7.769,1357 2.891,1358 6.227,1359 0.066,1360 0.02,1361 6.227,1362 1.912,1363 0.361,1364 66.938,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 339.628,1370 136.979,1371 330.366,1372 471.27,1373 312,1374 152,1375 371.748,1376 166.284,1377 373.679,1378 555.64,1379 353,1380 5.71}
{0 CHEMBL1241588,1 1.645,2 8.043,3 2.212,4 4.893,5 87.52,6 7.784,7 0.615,8 3.834,9 3.952,10 3.449,11 3.31,12 4.963,13 3.327,14 4.368,15 4.535,16 3.837,17 3.691,18 5.452,19 3.704,20 4.551,21 4.738,22 3.906,23 3.805,24 5.642,25 3.803,26 4.566,27 4.774,28 3.841,29 3.828,30 5.654,31 3.789,32 4.531,33 4.745,34 3.682,35 3.793,36 5.53,37 3.723,38 4.474,39 4.68,40 3.648,41 3.709,42 5.539,43 3.641,44 4.529,45 4.783,46 3.459,47 3.592,48 5.546,49 3.491,50 4.381,51 4.663,52 3.21,53 3.323,54 5.262,55 3.208,56 0.085,57 0.639,58 7.861,59 3.311,60 8.532,61 4.23,62 0.289,63 0.991,64 15.737,65 5.498,66 21.909,67 7.196,68 0.464,69 1.152,70 19.856,71 6.087,72 28.505,73 8.341,74 0.395,75 1.205,76 19.949,77 6.543,78 32.228,79 9.189,80 0.326,81 1.139,82 19.183,83 6.337,84 25.847,85 9.166,86 0.287,87 1.055,88 17.902,89 6.201,90 25.319,91 8.946,92 0.491,93 0.983,94 21.297,95 6.225,96 44.401,97 9.383,98 0.433,99 0.737,100 20.212,101 6.035,102 33.9,103 9.009,104 11,105 38,106 0.29,107 0.661,108 0.77,109 0.799,110 0.808,111 0.817,112 3.19,113 0.87,114 -4.13,115 -4.08,116 -3.86,119 40,120 2,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 9,177 1,178 1,180 1,183 4,185 1,186 2,187 9,195 3,198 2,199 9,201 3,202 3,204 1,207 3,209 1,211 1,212 6,217 2,220 2,222 2,223 2,224 5,229 3,232 4,234 3,236 3,239 1,240 1,245 2,249 2,250 2,252 1,253 1,263 2,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.806,282 17.482,283 9.059,284 16.167,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.928,291 17.084,292 4.27,293 13.689,294 3.677,295 1.57,296 0.957,297 0.788,298 0.738,299 0.688,300 3.888,303 1,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 21.18,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.5,331 185,332 4.76,333 3.386,334 7.039,335 4.302,336 3.339,337 4.732,338 0.86,339 12.088,340 3.218,341 4.273,342 3.231,343 6.247,344 3.858,345 2.913,346 3.922,347 0.86,348 9.372,349 2.752,350 3.826,351 2.69,352 6.069,353 3.504,354 2.554,355 3.221,357 8.561,358 2.419,359 3.712,360 2.466,361 5.712,362 3.317,363 2.367,364 3.117,366 7.453,367 2.242,368 3.037,369 2.18,370 4.82,371 2.685,372 1.744,373 2.266,375 4.819,376 1.637,377 2.996,378 1.873,379 4.531,380 2.532,381 1.618,382 2.129,384 4.487,385 1.475,386 2.923,387 1.808,388 4.367,389 2.503,390 1.579,391 2.06,393 4.088,394 1.45,395 2.564,396 1.493,397 3.864,398 2.294,399 1.368,400 1.584,402 2.999,403 1.254,404 2.434,405 1.09,406 3.614,407 2.005,408 1.058,409 1.424,411 2.733,412 0.998,413 2.131,414 0.97,415 3.486,416 1.786,417 0.827,418 1.04,420 2.06,421 0.79,422 1.862,423 0.832,424 3.162,425 1.531,426 0.632,427 0.757,428 1.506,429 0.563,430 1.063,431 0.007,432 2.682,433 0.647,434 -0.273,435 -0.34,436 -0.643,437 -0.25,438 0.908,439 -0.168,440 2.425,441 0.513,442 -0.415,443 -0.518,445 -1.037,446 -0.38,447 0.687,448 -0.306,449 2.262,450 0.311,451 -0.618,452 -0.729,454 -1.598,455 -0.565,456 0.61,457 -0.735,458 2.229,459 0.116,460 -0.811,461 -1,463 -2,464 -0.749,465 10.667,466 0.464,467 0.61,468 0.027,469 31.5,470 1.37,471 15.5,472 0.674,473 16,474 0.696,475 17.506,476 0.761,477 24.733,478 0.618,479 21.634,480 0.941,481 6.037,482 0.262,483 5.11,484 0.222,485 0.131,487 0.413,493 0.896,494 1.335,495 0.731,496 1.137,497 1.038,498 0.936,499 1.155,500 1.065,501 0.749,502 0.904,503 0.831,504 0.781,505 1.242,506 1.101,507 0.908,508 0.861,509 0.949,510 0.824,511 0.888,512 0.986,513 0.968,514 0.964,515 0.945,516 0.973,517 0.853,518 1.115,519 1.125,520 1.098,521 0.913,522 1.135,523 0.726,524 1.316,525 1.063,526 1.301,527 1.003,528 1.249,529 0.818,530 0.931,531 1.117,532 1.071,533 1.331,534 1.124,535 0.838,536 0.808,537 0.812,538 0.912,539 0.66,540 0.879,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 13874,553 2.141,554 42.5,556 8,558 1,559 2,561 6,564 1.663,565 2,566 3.014,567 0.364,568 1,569 1,571 1,573 65.781,574 1.645,575 3.752,576 4.365,577 4.534,578 4.584,579 4.634,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,590 1,591 212.877,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.5,606 1,607 0.777,608 104.655,609 -0.031,610 -0.129,611 0.071,612 -0.087,613 -0.153,614 -0.002,615 -0.043,616 0.017,617 0.165,618 0.095,619 0.08,620 0.153,621 -0.081,622 -0.045,623 0.039,624 0.102,625 0.014,626 0.097,627 -0.024,628 0.099,629 -0.05,630 -0.004,631 0.015,632 -0.033,633 -0.115,634 -0.043,635 -0.222,636 -0.12,637 -0.104,638 -0.173,639 0.044,640 -0.269,641 -0.158,642 -0.308,643 -0.025,644 -0.277,645 0.112,646 0.023,647 -0.117,648 -0.134,649 -0.159,650 -0.155,651 0.224,652 -0.021,653 0.274,654 0.066,655 0.283,656 0.16,657 1.244,658 2.16,659 0.826,660 15.981,661 1.012,662 1.135,663 2.905,664 8.439,665 0.663,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.642,678 311.38,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 12.5,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 40,733 16,734 1,735 26,737 43,738 16,739 11,740 3,741 3,746 4,747 6,752 2,758 1,761 11,762 5,777 1,778 1,781 17,782 6,783 2,784 7,790 5,794 0.5,795 2,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,854 2,856 2,858 1,870 5,875 2,877 11.5,878 7.883,879 4.944,880 2.447,881 3.225,882 1.431,883 1.006,884 3.435,885 10.703,886 3.555,887 4.23,888 4.926,889 5.607,890 6.199,891 6.612,892 7.062,893 7.527,894 7.831,895 8.126,896 1,897 40,898 8.464,900 3.643,901 7.674,902 16.172,904 13.397,905 2.174,906 50,910 176.567,911 86.928,912 84.908,914 22,917 86.928,918 198.566,919 84.908,920 17.65,921 9.185,922 61.326,923 63.72,924 51.397,925 2.328,926 164.795,928 176.567,929 171.836,930 22,933 105.94,934 92.626,937 41.702,938 79.899,939 50.234,941 176.567,942 106.908,943 86.928,946 176.567,947 32.23,948 56.474,950 105.131,951 176.567,952 106.908,953 86.928,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.047,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 14.425,975 5.477,976 2.347,977 1.496,978 105.131,979 7.232,980 13.168,984 3.545,985 1.861,986 32.897,987 370.402,988 34,999 40.465,1000 45.402,1001 0.309,1002 0.705,1003 0.82,1004 0.852,1005 0.861,1006 0.871,1007 4.812,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 4.916,1013 1.376,1014 6.632,1015 4.229,1016 6.045,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.856,1023 7.667,1024 3.871,1025 7.381,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.233,1031 1.159,1032 10.825,1033 5.789,1034 8.759,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.043,1041 12.713,1042 6.269,1043 10.175,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 9.901,1049 0.963,1050 15.399,1051 7.688,1052 11.617,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.111,1059 17.635,1060 8.541,1061 13.08,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.768,1067 0.787,1068 20.172,1069 9.776,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.163,1077 22.553,1078 10.796,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.744,1085 0.634,1086 25.048,1087 11.968,1088 2.554,1089 9.372,1090 21.934,1091 4.732,1092 13.51,1093 17.222,1095 27.49,1096 13.061,1097 2.367,1098 8.561,1099 23.83,1100 3.922,1101 14.7,1102 18.777,1103 0.504,1104 29.975,1105 14.215,1106 1.744,1107 7.453,1108 25.732,1109 3.221,1110 15.861,1111 20.293,1113 32.444,1114 15.342,1115 1.618,1116 4.819,1117 27.64,1118 3.117,1119 17.047,1120 21.841,1121 0.395,1122 34.929,1123 16.495,1124 1.579,1125 4.487,1126 29.553,1127 2.266,1128 18.225,1129 23.375,1131 37.41,1132 17.639,1133 4990,1134 8252,1135 17.512,1136 26.506,1137 40.264,1138 40.451,1139 41.515,1140 39.987,1141 39.997,1142 52.504,1143 3.44,1144 120.33,1145 37.599,1146 5.704,1147 5.386,1148 6.727,1149 5.443,1150 5.339,1151 7.732,1152 1.72,1153 19.555,1154 5.218,1155 10.072,1156 1.549,1157 1.556,1158 1.597,1159 1.538,1160 1.538,1161 2.019,1162 0.132,1163 4.628,1164 1.446,1165 4.136,1166 4.181,1167 4.118,1168 3.996,1169 5.257,1170 4.019,1171 3.885,1172 3.904,1173 3.841,1174 3.749,1175 4.956,1176 3.769,1177 3.578,1178 3.655,1179 3.445,1180 3.408,1181 4.842,1182 3.401,1183 3.453,1184 3.503,1185 3.33,1186 3.253,1187 4.52,1188 3.263,1189 3.166,1190 3.256,1191 3.054,1192 2.94,1193 4.278,1194 2.964,1195 2.996,1196 3.104,1197 2.876,1198 2.723,1199 4.209,1200 2.737,1201 2.888,1202 3.009,1203 2.772,1204 2.68,1205 4.034,1206 2.706,1207 2.874,1208 2.932,1209 2.563,1210 2.618,1211 3.682,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.165,1217 0.128,1218 4.76,1219 0.182,1220 3.386,1221 0.033,1222 7.039,1223 0.465,1224 4.302,1225 0.124,1226 3.339,1227 4.732,1228 0.86,1229 12.088,1230 3.218,1231 1.934,1232 1.919,1233 2.006,1234 2.05,1235 1.16,1236 2.033,1237 1.801,1238 1.756,1239 1.946,1240 2.005,1241 1.132,1242 1.982,1243 1.62,1244 1.559,1245 1.789,1246 1.834,1247 0.962,1248 1.829,1249 1.415,1250 1.361,1251 1.669,1252 1.636,1253 0.81,1254 1.65,1255 1.102,1256 1.036,1257 1.417,1258 1.379,1259 0.469,1260 1.354,1261 0.934,1262 0.812,1263 1.246,1264 1.239,1265 0.262,1266 1.308,1267 0.881,1268 0.804,1269 1.154,1270 1.201,1271 0.158,1272 1.19,1273 0.821,1274 0.752,1275 1.057,1276 1.084,1277 0.055,1278 1.08,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.108,1293 6.085,1295 1.112,1297 11.229,1299 0.165,1305 25.697,1306 65.781,1307 150.068,1308 174.612,1309 181.367,1310 183.367,1311 185.367,1312 29.339,1313 7.478,1314 88.08,1315 88.08,1316 23,1317 12.676,1318 4.087,1319 3.17,1320 31.639,1321 67,1322 68,1323 0.235,1324 156.147,1325 257.32,1326 372.757,1327 16621,1329 15.974,1330 0.695,1331 0.565,1332 15.974,1333 12.984,1334 11.148,1335 0.429,1336 0.29,1337 7.39,1338 10.562,1339 7.198,1340 5.954,1341 11.148,1342 7.536,1343 10.335,1344 0.272,1345 0.15,1346 10.335,1347 5.703,1348 8.979,1349 0.166,1350 0.071,1351 8.979,1352 3.823,1353 7.939,1354 0.104,1355 0.036,1356 7.939,1357 2.748,1358 6.765,1359 0.067,1360 0.019,1361 6.765,1362 1.929,1363 0.352,1364 70.846,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 387.364,1370 144.522,1371 367.889,1372 519.99,1373 348,1374 156,1375 405.202,1376 174.16,1377 403.389,1378 600.56,1379 381,1380 5.658}
{0 CHEMBL1241674,1 1.606,2 8.043,3 2.744,4 7.527,5 89.221,6 7.907,7 0.769,8 3.809,9 3.94,10 3.427,11 3.316,12 4.998,13 3.326,14 4.295,15 4.466,16 3.836,17 3.718,18 5.44,19 3.717,20 4.504,21 4.699,22 3.871,23 3.811,24 5.636,25 3.793,26 4.592,27 4.824,28 3.845,29 3.812,30 5.701,31 3.771,32 4.484,33 4.702,34 3.686,35 3.731,36 5.562,37 3.674,38 4.411,39 4.62,40 3.621,41 3.669,42 5.521,43 3.617,44 4.498,45 4.765,46 3.399,47 3.616,48 5.519,49 3.508,50 4.324,51 4.618,52 3.148,53 3.372,54 5.26,55 3.239,56 0.1,57 0.657,58 7.475,59 2.975,60 11.951,61 3.847,62 0.171,63 1.031,64 13.36,65 5.062,66 18.42,67 6.93,68 0.28,69 1.193,70 17.675,71 5.714,72 26.54,73 7.973,74 0.4,75 1.242,76 20.893,77 6.472,78 37.848,79 9.343,80 0.359,81 1.111,82 18.105,83 5.797,84 31.978,85 8.239,86 0.224,87 1.06,88 16.204,89 5.097,90 27.427,91 7.339,92 0.372,93 1.019,94 20.418,95 5.868,96 41.837,97 8.859,98 0.277,99 0.775,100 18.592,101 5.846,102 29.432,103 8.887,104 18,105 39,106 0.282,107 0.702,108 0.803,109 0.839,110 0.839,111 0.839,112 3.19,113 0.848,114 -4.06,115 -4.01,116 -3.79,119 41,120 2,127 1,142 4,143 2,144 1,146 1,147 1,148 1,152 2,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 6,177 1,178 1,180 6,183 4,185 1,186 1,187 3,190 1,192 5,195 4,198 2,199 4,201 3,202 4,204 1,207 4,212 5,215 2,216 2,217 1,219 1,220 2,222 1,224 7,229 5,232 3,234 3,237 5,240 1,242 3,245 2,247 2,250 2,253 1,255 1,258 4,260 1,266 2,267 1,270 1,271 2,275 675,276 15.378,277 15.378,278 15.378,279 15.378,280 15.378,281 13.109,282 11.643,283 8.753,284 15.732,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.309,291 8.663,292 4.155,293 13.432,294 3.68,295 1.282,296 0.705,297 0.5,298 0.5,299 0.5,300 3.883,303 1,304 1,305 1,306 405,307 2.739,310 79.825,311 106.169,314 156.45,318 1.18,319 21.386,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50,331 185,332 4.771,333 3.382,334 7.042,335 4.309,336 3.347,337 4.748,339 12.1,340 3.22,341 4.463,342 3.022,343 6.332,344 3.962,345 2.989,346 4.406,348 9.716,349 2.907,350 3.836,351 2.672,352 6.055,353 3.501,354 2.546,355 3.272,357 8.473,358 2.426,359 3.744,360 2.507,361 5.668,362 3.321,363 2.369,364 3.18,366 7.328,367 2.252,368 3.449,369 2.19,370 4.963,371 3.001,372 2.053,373 2.816,375 5.799,376 1.939,377 3.037,378 1.815,379 4.818,380 2.681,381 1.741,382 2.303,384 4.817,385 1.633,386 3.02,387 1.535,388 4.427,389 2.519,390 1.535,391 2.158,393 4.303,394 1.51,395 2.891,396 1.421,397 4.369,398 2.346,399 1.412,400 2.066,402 3.836,403 1.315,404 2.468,405 1.019,406 3.854,407 1.967,408 1.015,409 1.454,411 2.718,412 0.964,413 2.109,414 0.819,415 3.482,416 1.728,417 0.777,418 1.003,420 1.991,421 0.737,422 1.944,423 0.536,424 3.159,425 1.432,426 0.468,427 0.683,428 1.177,429 0.449,430 1.061,431 -0.116,432 2.632,433 0.628,434 -0.288,435 -0.366,436 -0.674,437 -0.263,438 0.955,439 -0.167,440 2.421,441 0.521,442 -0.413,443 -0.534,445 -1.055,446 -0.38,447 0.697,448 -0.7,449 2.353,450 0.216,451 -0.728,452 -0.999,454 -2,455 -0.685,456 0.591,457 -0.825,458 2.252,459 0.087,460 -0.876,461 -1,463 -2.119,464 -0.837,465 10.733,466 0.467,467 0.716,468 0.031,469 32.75,470 1.424,471 17,472 0.739,473 15.75,474 0.685,475 16.793,476 0.73,477 24.067,478 0.617,479 22.778,480 0.99,481 6.282,482 0.273,483 4.76,484 0.207,485 0.161,487 0.457,493 1.009,494 1.225,495 0.768,496 0.935,497 1.097,498 0.83,499 0.707,500 1.175,501 0.646,502 0.946,503 0.518,504 0.808,505 1.125,506 1.194,507 0.951,508 0.996,509 0.924,510 0.947,511 0.89,512 0.927,513 0.911,514 0.904,515 0.813,516 0.903,517 0.975,518 0.991,519 1.113,520 1.034,521 0.84,522 1.079,523 1.131,524 1.349,525 1.193,526 1.211,527 1.004,528 1.199,529 1.029,530 0.872,531 1.191,532 0.955,533 0.928,534 1.057,535 0.691,536 0.823,537 0.841,538 0.918,539 0.8,540 0.906,541 5,542 0.012,543 2.889,544 2.333,545 1.932,546 0.674,547 0.671,548 0.317,549 0.24,550 0.119,551 5166,552 14062,553 2.115,554 41,556 5,558 1,559 4,561 6,564 1.663,565 1.944,566 3.012,567 1.865,568 1,569 1,571 1,573 62.621,574 1.606,575 4.003,576 4.58,577 4.785,578 4.785,579 4.785,580 2.442,581 4.263,582 4.496,583 3.132,584 792.445,585 7.772,586 8611.62,587 1,588 1,589 1,590 1,591 206.131,592 1.491,593 4.44,594 0.192,595 0.004,596 0.074,597 0.06,598 0.052,599 0.022,600 0.023,601 0.014,602 0.014,603 0.012,604 0.468,605 0.33,606 1,607 0.832,608 104.624,609 -0.111,610 -0.032,611 0.025,612 0.064,613 -0.225,614 0.065,615 0.103,616 -0.053,617 0.205,618 0.049,619 0.142,620 0.127,621 -0.131,622 -0.114,623 -0.044,624 -0.045,625 -0.067,626 -0.033,627 0.063,628 0.101,629 0.052,630 0.033,631 0.026,632 0.036,633 -0.032,634 0.056,635 -0.18,636 -0.087,637 -0.034,638 -0.147,639 -0.247,640 -0.282,641 -0.286,642 -0.269,643 -0.174,644 -0.279,645 -0.146,646 0.08,647 -0.184,648 -0.011,649 -0.093,650 -0.078,651 0.143,652 -0.007,653 0.231,654 0.096,655 0.112,656 0.171,657 1.441,658 3.629,659 0.783,660 16.246,661 1.009,662 1.135,663 2.827,664 7.994,665 0.674,666 3.296,667 3.689,668 4.025,669 4.382,670 4.644,671 4.804,672 4.942,673 5.124,674 5.136,675 5.187,676 4.958,677 0.653,678 308.38,679 3.296,680 4.875,681 5.765,682 6.688,683 7.602,684 8.531,685 9.454,686 10.385,687 11.312,688 12.245,689 15.4,693 1,697 2,699 3,703 4,704 5,705 3,706 1,709 4,710 1,711 20,722 1,728 1,731 39,733 20,734 1,735 26,737 42,738 16,739 13,740 3,741 3,746 4,747 6,752 2,758 1,761 13,762 3,777 1,778 1,781 16,782 5,783 4,784 7,790 6,794 0.5,795 1,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 2,848 23,849 1,853 1,858 1,870 2.6,872 1,877 11.833,878 7.583,879 4.861,880 2.289,881 4.053,882 1.54,883 1.016,884 3.112,885 11.553,886 3.611,887 4.35,888 5.075,889 5.798,890 6.388,891 6.861,892 7.364,893 7.905,894 8.215,895 8.637,896 1,897 39,898 8.444,900 3.687,901 7.768,902 15.992,904 13.421,905 2.268,906 52.167,910 141.253,911 81.021,912 101.693,914 42.683,917 81.021,918 183.937,919 101.693,920 17.65,922 70.802,923 106.404,924 35.083,925 7.229,926 129.482,928 141.253,929 182.714,930 42.683,933 70.627,934 113.31,937 49.303,938 83.177,939 50.234,941 141.253,942 144.377,943 81.021,946 141.253,947 16.847,948 65.951,949 16.786,950 125.815,951 141.253,952 144.377,953 81.021,955 0.6,956 0.356,957 0.204,958 0.118,959 22,960 10,961 0.048,962 2,963 2,964 1.222,965 3.409,966 201.251,967 0.222,968 18,969 102.042,974 14.182,975 5.047,976 2.186,977 3.268,978 125.815,979 8.566,980 13.105,981 3.313,984 2.154,985 1.839,986 92.366,987 366.651,988 36,999 39.356,1000 44.275,1001 0.304,1002 0.757,1003 0.867,1004 0.905,1005 0.905,1006 0.905,1007 4.868,1008 1.412,1009 5.79,1010 4.303,1011 4.369,1012 5.037,1014 6.681,1015 4.284,1016 6.134,1017 1.015,1018 7.398,1019 3.836,1020 4.111,1021 5.047,1023 7.716,1024 3.989,1025 7.486,1026 0.777,1027 9.105,1028 2.718,1029 6.038,1030 7.423,1032 10.871,1033 5.878,1034 8.878,1035 0.468,1036 10.869,1037 1.991,1038 6.581,1039 8.274,1041 12.752,1042 6.386,1043 10.302,1044 -0.288,1045 12.669,1046 1.177,1047 8.023,1048 10.135,1050 15.44,1051 7.795,1052 11.752,1053 -0.413,1054 14.496,1055 -0.674,1056 8.923,1057 11.371,1059 17.672,1060 8.66,1061 13.221,1062 -0.728,1063 16.344,1064 -1.055,1065 10.19,1066 13.031,1068 20.211,1069 9.893,1070 3.347,1071 -0.876,1072 18.206,1073 -2,1074 11.251,1075 14.44,1077 22.59,1078 10.917,1079 2.989,1080 12.1,1081 20.081,1082 -2.119,1083 12.456,1084 16.023,1086 25.084,1087 12.089,1088 2.546,1089 9.716,1090 21.967,1091 4.748,1092 13.588,1093 17.507,1095 27.524,1096 13.182,1097 2.369,1098 8.473,1099 23.861,1100 4.406,1101 14.777,1102 19.061,1104 30.009,1105 14.335,1106 2.053,1107 7.328,1108 25.762,1109 3.272,1110 15.94,1111 20.577,1113 32.475,1114 15.461,1115 1.741,1116 5.799,1117 27.67,1118 3.18,1119 17.127,1120 22.121,1122 34.96,1123 16.61,1124 1.535,1125 4.817,1126 29.583,1127 2.816,1128 18.306,1129 23.652,1131 37.439,1132 17.751,1133 4956,1134 8299,1135 17.224,1136 26.296,1137 40.999,1138 40.431,1139 42.338,1140 40.548,1141 40.5,1142 56.182,1144 124.515,1145 38.702,1146 5.46,1147 5.382,1148 6.57,1149 5.382,1150 5.347,1151 7.748,1153 19.606,1154 5.22,1155 11.774,1156 1.577,1157 1.555,1158 1.628,1159 1.56,1160 1.558,1161 2.161,1163 4.789,1164 1.489,1165 4.187,1166 4.228,1167 4.164,1168 4.072,1169 6.471,1170 4.088,1171 4.008,1172 4.051,1173 3.978,1174 3.866,1175 5.26,1176 3.891,1177 3.578,1178 3.655,1179 3.445,1180 3.413,1181 4.947,1182 3.404,1183 3.437,1184 3.48,1185 3.372,1186 3.277,1187 4.811,1188 3.295,1189 3.135,1190 3.228,1191 3.032,1192 2.876,1193 4.494,1194 2.909,1195 2.985,1196 3.09,1197 2.868,1198 2.816,1199 4.14,1200 2.815,1201 2.954,1202 3.013,1203 2.829,1204 2.676,1205 3.985,1206 2.714,1207 2.874,1208 3.009,1209 2.499,1210 2.618,1211 3.737,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.129,1218 4.771,1219 0.183,1220 3.382,1222 7.042,1223 0.465,1224 4.309,1225 0.124,1226 3.347,1227 4.748,1229 12.1,1230 3.22,1231 1.919,1232 1.9,1233 2.002,1234 2.028,1235 1.148,1236 2.009,1237 1.846,1238 1.808,1239 1.95,1240 2.01,1241 1.126,1242 1.998,1243 1.68,1244 1.615,1245 1.839,1246 1.885,1247 0.961,1248 1.876,1249 1.458,1250 1.397,1251 1.595,1252 1.669,1253 0.625,1254 1.659,1255 1.021,1256 0.979,1257 1.417,1258 1.35,1259 0.469,1260 1.322,1261 1.003,1262 0.929,1263 1.218,1264 1.24,1265 0.246,1266 1.308,1267 0.934,1268 0.804,1269 1.184,1270 1.239,1271 0.15,1272 1.221,1273 0.828,1274 0.75,1275 1.087,1276 1.146,1277 0.04,1278 1.131,1279 3.97,1281 5.342,1282 3.045,1283 6.903,1284 5.476,1285 8.554,1286 7.662,1287 10.254,1289 4.079,1293 6.068,1294 9.629,1299 0.147,1305 25.477,1306 62.621,1307 156.115,1308 178.621,1309 186.621,1310 186.621,1311 186.621,1312 31.186,1313 7.5,1314 105.64,1315 105.64,1316 22,1317 12.746,1318 4.392,1319 3.459,1320 31.647,1321 67,1322 72,1323 0.236,1324 156.017,1325 245.99,1326 372.442,1327 16600,1329 16.137,1330 0.702,1331 0.556,1332 16.137,1333 12.778,1334 11.042,1335 0.425,1336 0.283,1337 7.241,1338 10.585,1339 7.031,1340 5.859,1341 11.042,1342 7.351,1343 10.627,1344 0.272,1345 0.149,1346 10.627,1347 5.799,1348 9.012,1349 0.164,1350 0.07,1351 9.012,1352 3.867,1353 8.025,1354 0.102,1355 0.035,1356 8.025,1357 2.792,1358 6.688,1359 0.065,1360 0.018,1361 6.688,1362 1.9,1363 0.354,1364 69.379,1365 0.241,1366 21.866,1367 0.703,1368 130,1369 360.375,1370 143.594,1371 357.391,1372 505.68,1373 334,1374 159,1375 399.577,1376 173.65,1377 404.341,1378 597.49,1379 381,1380 6.71}
{0 CHEMBL1241675,1 1.489,2 7.958,3 2.404,4 5.781,5 92.277,6 7.79,7 0.714,8 3.866,9 4.001,10 3.496,11 3.391,12 4.957,13 3.394,14 4.411,15 4.591,16 3.892,17 3.829,18 5.44,19 3.809,20 4.643,21 4.88,22 3.87,23 3.903,24 5.585,25 3.847,26 4.613,27 4.855,28 3.873,29 3.862,30 5.644,31 3.815,32 4.525,33 4.745,34 3.769,35 3.823,36 5.525,37 3.771,38 4.489,39 4.69,40 3.756,41 3.812,42 5.526,43 3.756,44 4.582,45 4.828,46 3.624,47 3.774,48 5.57,49 3.67,50 4.518,51 4.818,52 3.239,53 3.541,54 5.358,55 3.392,56 0.053,57 0.724,58 7.921,59 3.139,60 8.522,61 4.276,62 0.188,63 1.175,64 15.279,65 5.579,66 17.301,67 7.805,68 0.225,69 1.328,70 21.978,71 7.076,72 22.717,73 10.504,74 0.339,75 1.298,76 21.601,77 6.647,78 32.977,79 9.841,80 0.271,81 1.213,82 18.768,83 5.817,84 26.506,85 8.439,86 0.197,87 1.195,88 17.199,89 5.862,90 22.698,91 8.363,92 0.33,93 1.197,94 20.947,95 6.995,96 35.837,97 10.207,98 0.261,99 0.992,100 22.115,101 6.472,102 32.238,103 10.071,104 2,105 41,106 0.257,107 0.653,108 0.783,109 0.834,110 0.834,111 0.834,112 3.231,113 0.882,114 -4.58,115 -4.5,116 -4.23,119 41.5,121 4,127 1,142 2,143 2,145 1,146 1,147 1,148 1,151 2,161 2,163 1,164 1,165 1,166 1,172 5,174 3,175 10,177 1,178 1,180 1,183 5,185 1,186 1,187 9,195 2,198 2,199 9,201 3,202 3,204 1,207 2,209 1,211 2,212 8,217 2,220 4,222 2,223 2,224 2,229 2,232 6,234 2,236 4,237 2,239 2,240 2,242 2,245 4,247 2,250 4,263 4,275 760,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.548,282 9.487,283 9.779,284 17.213,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.422,291 7.5,292 4.637,293 14.553,294 3.869,295 1.58,296 0.829,297 0.537,298 0.537,299 0.537,300 3.945,303 1,304 1,305 1,306 437,307 2.121,310 139.283,311 102.98,314 160.199,318 1.135,319 16.343,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 191,332 4.766,333 3.389,334 7.051,335 4.311,336 3.349,337 4.738,339 12.147,340 3.225,341 4.415,342 2.95,343 6.293,344 3.875,345 2.936,346 4.353,348 9.503,349 2.764,350 3.904,351 2.766,352 6.145,353 3.639,354 2.677,355 3.312,357 8.961,358 2.569,359 3.761,360 2.405,361 5.751,362 3.336,363 2.38,364 3.198,366 7.634,367 2.269,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.366,375 5.69,376 1.899,377 3.051,378 1.552,379 4.519,380 2.493,381 1.552,382 2.322,384 4.384,385 1.457,386 3.033,387 1.533,388 4.333,389 2.474,390 1.533,391 2.3,393 4.052,394 1.441,395 2.654,396 1.41,397 4.234,398 2.309,399 1.345,400 1.72,402 3.529,403 1.292,404 2.601,405 1.154,406 3.672,407 2.094,408 1.151,409 1.636,411 2.661,412 1.083,413 2.411,414 0.973,415 3.431,416 1.913,417 0.966,418 1.376,420 2.308,421 0.912,422 1.911,423 0.702,424 3.248,425 1.66,426 0.683,427 0.792,428 1.74,429 0.666,430 1.837,431 0.618,432 3.036,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.4,440 3,441 1.347,442 0.395,443 0.584,445 0.983,446 0.375,447 1.061,448 -0.153,449 2.652,450 0.629,451 -0.286,452 -0.364,454 -0.672,455 -0.261,456 0.846,457 -0.589,458 2.461,459 0.378,460 -0.59,461 -0.817,463 -1.644,464 -0.569,465 11.3,466 0.471,467 0.534,468 0.022,469 33.75,470 1.406,471 16.5,472 0.688,473 17.25,474 0.719,475 17.938,476 0.747,477 24.7,478 0.602,479 22.066,480 0.919,481 6.135,482 0.256,483 5.675,484 0.236,485 0.035,487 0.381,493 0.9,494 1.374,495 0.723,496 1.042,497 0.92,498 0.887,499 0.843,500 1.138,501 0.812,502 0.999,503 0.588,504 0.918,505 1.013,506 1.13,507 0.883,508 0.975,509 0.718,510 0.92,511 0.986,512 0.907,513 0.857,514 0.826,515 0.947,516 0.822,517 1.291,518 0.995,519 1.104,520 0.947,521 1.163,522 0.987,523 1.135,524 1.241,525 1.156,526 1.219,527 1.381,528 1.196,529 0.854,530 0.959,531 1.143,532 1.167,533 1.319,534 1.195,535 1.086,536 0.973,537 1.082,538 1.012,539 1.121,540 1.041,541 3.5,543 2.889,544 1.764,545 1.522,546 0.716,547 0.469,548 0.348,549 0.148,550 0.047,551 6351,552 14867,553 2.262,554 41.5,555 4,556 3,557 2,558 2,559 2,561 4,564 1.676,565 2.182,566 3.02,567 0.337,568 1,569 1,571 1,573 61.034,574 1.489,575 3.777,576 4.528,577 4.821,578 4.821,579 4.821,580 2.44,581 4.22,582 4.558,583 3.145,584 868.043,585 7.902,586 9735.16,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.125,596 0.07,597 0.045,598 0.039,599 0.02,600 0.014,601 0.012,602 0.008,603 0.005,604 0.339,605 0.33,606 0.88,607 0.382,608 110.695,609 0.007,610 -0.185,611 0.078,612 -0.052,613 -0.018,614 0.011,615 0.125,616 -0.022,617 0.059,618 -0.023,619 0.186,620 0.002,621 -0.046,622 -0.141,623 0.08,624 0.003,625 0.126,626 0.051,627 0.096,628 0.103,629 0.12,630 0.122,631 0.115,632 0.124,633 -0.212,634 0.063,635 -0.169,636 -0.005,637 -0.161,638 -0.067,639 -0.139,640 -0.167,641 -0.258,642 -0.258,643 -0.239,644 -0.274,645 0.13,646 0.016,647 -0.169,648 -0.197,649 -0.114,650 -0.225,651 -0.112,652 -0.122,653 -0.016,654 -0.036,655 -0.052,656 -0.015,657 1.192,658 2.174,659 0.958,660 17.167,661 1.003,662 1.136,663 3.347,664 11.2,665 0.679,666 3.367,667 3.738,668 4.111,669 4.466,670 4.682,671 4.883,672 5.081,673 5.268,674 5.328,675 5.384,676 5.036,677 0.653,678 319.41,679 3.367,680 4.934,681 5.832,682 6.746,683 7.662,684 8.584,685 9.507,686 10.433,687 11.359,688 12.288,689 17.1,693 1,697 2,699 4,703 3,704 6,705 4,709 3,710 1,711 20,722 1,731 41,733 20,735 28,737 45,738 17,739 12,746 5,747 7,755 5,758 5,761 12,762 5,777 1,778 1,781 17,782 5,783 2,784 7,787 1,790 7,794 0.6,803 1,805 1,806 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,877 11,878 7.367,879 5.111,880 2.629,881 3.983,882 1.515,883 1.072,884 3.068,885 11.719,886 3.664,887 4.363,888 5.091,889 5.796,890 6.355,891 6.837,892 7.362,893 7.89,894 8.22,895 8.651,896 1,897 39,898 8.848,900 3.907,901 7.556,902 17.246,904 14.974,905 2.056,906 49.333,909 1,910 176.567,911 79.125,912 102.98,917 79.125,918 176.567,919 102.98,921 10.138,922 69.945,923 93.992,924 29.244,925 25.87,926 129.482,928 176.567,929 182.105,933 129.482,934 47.084,937 37.055,938 78.031,939 67.02,941 176.567,942 102.98,943 79.125,946 176.567,947 24.412,948 57.776,950 99.917,951 176.567,952 102.98,953 79.125,955 0.589,956 0.362,957 0.212,958 0.108,959 24,960 9,961 0.044,962 2,963 2,964 1.174,965 3.633,966 219.375,967 0.174,968 23,969 104.039,974 13.937,975 5.283,976 2.139,977 2.541,978 99.917,979 11.261,980 17.9,984 2.292,985 2.047,986 32.897,987 358.672,988 38,999 41.131,1000 46.564,1001 0.278,1002 0.705,1003 0.845,1004 0.9,1005 0.9,1006 0.9,1007 4.913,1008 1.345,1009 5.826,1010 4.052,1011 4.419,1012 5.05,1014 6.706,1015 4.326,1016 6.145,1017 1.151,1018 7.419,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.863,1025 7.481,1026 0.966,1027 9.116,1028 2.661,1029 6.066,1030 7.401,1032 10.895,1033 5.884,1034 8.863,1035 0.683,1036 10.877,1037 2.308,1038 6.553,1039 8.224,1041 12.785,1042 6.325,1043 10.282,1044 0.618,1045 12.678,1046 1.74,1047 8.038,1048 10.1,1050 15.47,1051 7.772,1052 11.728,1053 0.395,1054 14.509,1055 1.372,1056 8.916,1057 11.326,1059 17.706,1060 8.609,1061 13.194,1062 -0.286,1063 16.359,1064 0.983,1065 10.195,1066 12.989,1068 20.243,1069 9.85,1070 3.349,1071 -0.59,1072 18.225,1073 -0.672,1074 11.245,1075 14.392,1077 22.624,1078 10.862,1079 2.936,1080 12.147,1081 20.102,1082 -1.644,1083 12.454,1084 15.973,1086 25.12,1087 12.033,1088 2.677,1089 9.503,1090 21.99,1091 4.738,1092 13.579,1093 17.452,1095 27.562,1096 13.122,1097 2.38,1098 8.961,1099 23.885,1100 4.353,1101 14.768,1102 19.004,1104 30.05,1105 14.274,1106 1.996,1107 7.634,1108 25.787,1109 3.312,1110 15.928,1111 20.516,1113 32.52,1114 15.399,1115 1.552,1116 5.69,1117 27.695,1118 3.198,1119 17.114,1120 22.058,1122 35.008,1123 16.549,1124 1.533,1125 4.384,1126 29.608,1127 2.366,1128 18.292,1129 23.586,1131 37.491,1132 17.692,1133 5770,1134 8988,1135 19.592,1136 27.847,1137 43.113,1138 43.039,1139 43.439,1140 43.243,1141 43.162,1142 58.631,1144 129.925,1145 41.141,1146 5.668,1147 5.389,1148 6.646,1149 5.387,1150 5.349,1151 7.738,1153 19.687,1154 5.18,1155 5.845,1156 1.54,1157 1.537,1158 1.551,1159 1.544,1160 1.541,1161 2.094,1163 4.64,1164 1.469,1165 4.178,1166 4.227,1167 4.154,1168 4.032,1169 5.259,1170 4.056,1171 4.026,1172 4.083,1173 3.993,1174 3.848,1175 5.059,1176 3.875,1177 3.793,1178 3.851,1179 3.667,1180 3.674,1181 4.851,1182 3.667,1183 3.395,1184 3.456,1185 3.335,1186 3.25,1187 4.519,1188 3.261,1189 3.219,1190 3.304,1191 3.132,1192 2.951,1193 4.271,1194 2.989,1195 2.993,1196 3.092,1197 2.886,1198 2.789,1199 4.135,1200 2.796,1201 2.895,1202 2.979,1203 2.77,1204 2.694,1205 3.798,1206 2.705,1207 2.869,1208 2.977,1209 2.583,1210 2.671,1211 3.65,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.766,1219 0.169,1220 3.389,1222 7.051,1223 0.434,1224 4.311,1225 0.115,1226 3.349,1227 4.738,1229 12.147,1230 3.225,1231 1.942,1232 1.909,1233 2.007,1234 2.076,1235 1.243,1236 2.058,1237 1.795,1238 1.745,1239 1.892,1240 2.002,1241 1.211,1242 1.968,1243 1.594,1244 1.533,1245 1.86,1246 1.798,1247 1.137,1248 1.793,1249 1.577,1250 1.507,1251 1.753,1252 1.751,1253 0.858,1254 1.788,1255 1.398,1256 1.341,1257 1.559,1258 1.588,1259 0.551,1260 1.585,1261 1.133,1262 1.069,1263 1.242,1264 1.39,1265 0.255,1266 1.362,1267 0.901,1268 0.82,1269 1.139,1270 1.239,1271 0.172,1272 1.22,1273 0.817,1274 0.743,1275 1.1,1276 1.078,1277 0.094,1278 1.072,1279 4.043,1281 5.398,1282 3.434,1283 6.948,1284 5.733,1285 8.592,1286 7.803,1287 10.289,1293 6.174,1295 4.753,1299 0.394,1305 26.784,1306 61.034,1307 154.866,1308 185.66,1309 197.66,1310 197.66,1311 197.66,1312 27.218,1313 7.736,1314 86.92,1315 86.92,1316 27,1317 12.792,1318 4.392,1319 3.459,1320 30.081,1321 71,1322 66,1323 0.208,1324 161.014,1325 253.14,1326 384.635,1327 22600,1329 16.096,1330 0.671,1331 0.547,1332 16.096,1333 13.131,1334 11.81,1335 0.422,1336 0.294,1337 8.109,1338 11.326,1339 8.003,1340 6.588,1341 11.81,1342 8.229,1343 10.782,1344 0.263,1345 0.154,1346 10.782,1347 6.297,1348 9.878,1349 0.165,1350 0.081,1351 9.878,1352 4.86,1353 8.93,1354 0.104,1355 0.043,1356 8.93,1357 3.658,1358 6.856,1359 0.064,1360 0.02,1361 6.856,1362 2.132,1363 0.312,1364 74.03,1365 0.226,1366 22.753,1367 0.622,1368 138,1369 357.183,1370 151.627,1371 353.54,1372 509.38,1373 334,1374 170,1375 408.279,1376 185.653,1377 410.852,1378 611.06,1379 389,1380 5.201}
{0 CHEMBL1241676,1 1.706,2 7.87,3 3.499,4 12.242,5 90.308,6 8.457,7 0.615,8 3.804,9 3.925,10 3.477,11 3.356,12 4.948,13 3.348,14 4.332,15 4.494,16 3.893,17 3.788,18 5.42,19 3.755,20 4.609,21 4.824,22 3.985,23 3.87,24 5.7,25 3.815,26 4.578,27 4.811,28 3.88,29 3.804,30 5.677,31 3.759,32 4.468,33 4.668,34 3.786,35 3.785,36 5.56,37 3.74,38 4.473,39 4.664,40 3.804,41 3.793,42 5.588,43 3.729,44 4.547,45 4.778,46 3.698,47 3.735,48 5.667,49 3.617,50 4.462,51 4.746,52 3.389,53 3.473,54 5.462,55 3.292,56 0.098,57 0.626,58 6.819,59 3.21,60 11.725,61 3.998,62 0.179,63 1.014,64 13.333,65 5.77,66 18.41,67 7.546,68 0.372,69 1.192,70 23.393,71 7.501,72 41.042,73 10.15,74 0.46,75 1.177,76 24.304,77 6.791,78 42.196,79 9.281,80 0.329,81 1.116,82 16.352,83 5.56,84 32.413,85 7.499,86 0.301,87 1.087,88 16.657,89 6.051,90 29.37,91 8.12,92 0.42,93 1.037,94 21.288,95 7.205,96 53.042,97 10.009,98 0.458,99 0.789,100 24.939,101 7.164,102 58.387,103 10.023,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.19,113 0.923,114 -5.14,115 -5.03,116 -4.71,119 41,121 4,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 7,177 1,178 1,180 2,183 7,185 1,186 1,187 7,192 3,195 5,198 2,199 9,201 3,202 3,204 2,207 4,209 1,212 7,215 1,217 3,220 4,222 2,224 5,227 1,229 3,232 7,234 3,237 3,240 2,241 1,242 2,244 1,245 6,247 2,250 2,255 3,258 2,260 1,268 2,271 2,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 12.009,283 9.039,284 16.029,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 8.708,292 4.272,293 13.553,294 3.58,295 1.366,296 0.891,297 0.564,298 0.564,299 0.564,300 3.884,301 1,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 24.017,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.833,331 181,332 4.763,333 3.394,334 7.05,335 4.31,336 3.347,337 4.733,339 12.146,340 3.224,341 4.218,342 3.178,343 6.261,344 3.789,345 2.843,346 3.88,348 9.314,349 2.693,350 3.878,351 2.791,352 5.971,353 3.604,354 2.651,355 3.243,357 8.322,358 2.515,359 3.68,360 2.455,361 5.68,362 3.257,363 2.324,364 3.086,366 7.318,367 2.121,368 3.239,369 2.041,370 5.078,371 2.948,372 1.994,373 2.365,375 5.689,376 1.897,377 2.996,378 1.879,379 4.469,380 2.446,381 1.513,382 2.231,384 4.136,385 1.407,386 2.82,387 1.534,388 4.235,389 2.347,390 1.414,391 1.948,393 3.533,394 1.295,395 2.638,396 1.408,397 4.038,398 2.305,399 1.342,400 1.684,402 3.509,403 1.274,404 2.442,405 1.083,406 3.662,407 1.967,408 1.035,409 1.423,411 2.565,412 0.953,413 1.857,414 0.726,415 3.249,416 1.658,417 0.683,418 0.784,420 1.743,421 0.662,422 1.618,423 0.618,424 3,425 1.618,426 0.618,427 0.618,428 1.372,429 0.618,430 1.371,431 0.577,432 2.736,433 0.925,434 0.103,435 0.124,436 0.227,437 0.072,438 1.057,439 -0.148,440 2.462,441 0.619,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.284,449 2.375,450 0.35,451 -0.595,452 -0.769,454 -1.604,455 -0.539,456 0.626,457 -0.702,458 2.333,459 0.129,460 -0.795,461 -1.041,463 -2.197,464 -0.702,465 11.048,466 0.48,467 0.61,468 0.027,469 30.5,470 1.326,471 15,472 0.652,473 15.5,474 0.674,475 18.555,476 0.807,477 24.352,478 0.624,479 20.537,480 0.893,481 5.52,482 0.24,483 5.628,484 0.245,485 0.131,487 0.398,493 0.856,494 1.186,495 0.609,496 0.865,497 0.929,498 0.816,499 0.64,500 1.164,501 0.635,502 0.966,503 0.507,504 0.916,505 0.839,506 1.221,507 0.789,508 1.004,509 0.657,510 0.931,511 1.006,512 0.866,513 0.921,514 0.793,515 0.848,516 0.786,517 1.054,518 1.101,519 0.794,520 0.881,521 0.855,522 0.973,523 0.89,524 1.222,525 0.871,526 1.132,527 0.958,528 1.174,529 0.722,530 1.092,531 0.9,532 1.143,533 0.887,534 1.207,535 0.939,536 0.752,537 0.926,538 0.988,539 1.185,540 1.046,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 14943,553 2.141,554 41,555 4,556 4,558 1,559 3,561 4,564 1.666,565 2,566 2.981,567 1.075,569 1,571 1,573 66.521,574 1.706,575 3.919,576 4.394,577 4.721,578 4.721,579 4.721,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,589 1,590 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.33,606 1,607 0.58,608 104.348,609 -0.075,610 0.01,611 0.008,612 0.067,613 -0.114,614 0.06,615 0.078,616 -0.041,617 0.065,618 -0.022,619 0.117,620 0.005,621 0.065,622 -0.218,623 0.106,624 -0.052,625 0.165,626 0.029,627 -0.028,628 0.174,630 0.118,631 0.001,632 0.142,633 -0.196,634 0.024,635 -0.143,636 -0.013,637 -0.094,638 -0.095,639 -0.064,640 -0.129,641 -0.151,642 -0.224,643 -0.113,644 -0.268,645 0.152,646 -0.124,647 -0.041,648 -0.189,649 0.08,650 -0.23,651 0.088,652 0.056,653 0.135,654 0.024,655 -0.005,656 0.016,657 1.65,658 3.892,659 0.87,660 16.378,661 1.012,662 1.132,663 3.907,664 15.267,665 0.69,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.662,678 329.82,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 39,733 16,734 1,735 26,737 42,738 16,739 11,740 3,741 3,746 4,747 5,748 1,755 5,758 5,761 11,762 5,777 1,778 1,781 16,782 5,783 3,784 7,785 1,790 5,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,845 1,848 23,849 1,853 1,854 4,858 1,869 1,870 2.6,872 1,877 11.5,878 6.893,879 4.944,880 2.449,881 3.077,882 1.423,883 1.001,884 3.623,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.484,900 3.743,901 7.766,902 16.223,904 13.917,905 2.266,906 52.111,910 153.024,911 63.245,912 84.908,913 39.149,914 42.683,917 63.245,918 234.856,919 84.908,921 10.138,922 61.326,923 106.404,924 22.411,925 2.328,926 141.253,927 39.149,928 153.024,929 148.152,930 42.683,931 39.149,933 105.94,934 89.768,937 25.005,938 72.913,939 89.383,941 153.024,942 127.591,943 102.393,946 153.024,947 26.197,948 38.824,950 164.963,951 153.024,952 127.591,953 102.393,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.048,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 100.042,974 14.729,975 5.658,976 2.442,977 1.468,978 125.815,979 6.519,980 13.245,984 2.136,985 1.96,986 75.581,987 383.009,988 34,999 39.462,1000 44.136,1001 0.323,1002 0.742,1003 0.831,1004 0.893,1005 0.893,1006 0.893,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1014 6.629,1015 4.239,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.819,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1032 10.82,1033 5.803,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.25,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1050 15.401,1051 7.694,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.53,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1068 20.188,1069 9.777,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.789,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1086 25.08,1087 11.967,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.058,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1104 30.022,1105 14.216,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.345,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1122 34.989,1123 16.5,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.646,1133 4917,1134 8525,1135 17.512,1136 26.909,1137 39.656,1138 40.399,1139 41.079,1140 39.853,1141 39.736,1142 52.237,1144 119.749,1145 37.462,1146 5.665,1147 5.394,1148 6.646,1149 5.385,1150 5.347,1151 7.733,1153 19.683,1154 5.224,1155 10.157,1156 1.525,1157 1.554,1158 1.58,1159 1.533,1160 1.528,1161 2.009,1163 4.606,1164 1.441,1165 4.144,1166 4.191,1167 4.137,1168 4.006,1169 6.471,1170 4.027,1171 3.861,1172 3.892,1173 3.951,1174 3.776,1175 5.254,1176 3.775,1177 3.774,1178 3.822,1179 3.667,1180 3.655,1181 4.891,1182 3.652,1183 3.286,1184 3.374,1185 3.358,1186 3.03,1187 4.809,1188 3.065,1189 3.04,1190 3.121,1191 3.147,1192 2.841,1193 4.518,1194 2.855,1195 2.932,1196 2.979,1197 2.879,1198 2.746,1199 4.262,1200 2.748,1201 2.869,1202 2.975,1203 2.804,1204 2.671,1205 4.115,1206 2.637,1207 2.856,1208 2.94,1209 2.583,1210 2.626,1211 3.681,1212 2.635,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.394,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1229 12.146,1230 3.224,1231 1.924,1232 1.907,1233 1.978,1234 2.03,1235 1.243,1236 2.011,1237 1.786,1238 1.743,1239 1.888,1240 1.961,1241 1.211,1242 1.946,1243 1.586,1244 1.53,1245 1.86,1246 1.774,1247 1.114,1248 1.793,1249 1.577,1250 1.507,1251 1.742,1252 1.751,1253 0.837,1254 1.771,1255 1.135,1256 1.086,1257 1.242,1258 1.379,1259 0.282,1260 1.354,1261 0.883,1262 0.839,1263 1.15,1264 1.221,1265 0.148,1266 1.203,1267 0.874,1268 0.785,1269 1.108,1270 1.133,1271 0.094,1272 1.13,1273 0.761,1274 0.672,1275 0.995,1276 1.052,1277 0.081,1278 1.046,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1290 5.901,1293 6.081,1294 9.892,1295 4.575,1299 0.335,1305 25.81,1306 66.521,1307 152.846,1308 171.376,1309 184.131,1310 184.131,1311 184.131,1312 35.271,1313 7.274,1314 89.85,1315 89.85,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 160.483,1325 263.74,1326 383.339,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.572,1332 16.474,1333 13.162,1334 11.148,1335 0.429,1336 0.308,1337 7.561,1338 10.477,1339 7.418,1340 6.097,1341 11.437,1342 8.003,1343 10.285,1344 0.271,1345 0.165,1346 10.656,1347 6.262,1348 9.187,1349 0.17,1350 0.088,1351 9.615,1352 4.728,1353 7.78,1354 0.104,1355 0.045,1356 7.931,1357 3.378,1358 6.179,1359 0.064,1360 0.021,1361 6.374,1362 2.038,1363 0.357,1364 72.783,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 358.246,1370 155.059,1371 382.408,1372 523.29,1373 356,1374 156,1375 380.186,1376 181.315,1377 393.016,1378 582.7,1379 371,1380 6.648}
{0 CHEMBL1241677,1 1.755,2 7.87,3 1.609,4 2.59,5 89.187,6 8.706,7 0.615,8 3.794,9 3.919,10 3.486,11 3.311,12 4.965,13 3.319,14 4.308,15 4.473,16 3.898,17 3.736,18 5.433,19 3.723,20 4.56,21 4.767,22 3.986,23 3.827,24 5.694,25 3.788,26 4.543,27 4.767,28 3.885,29 3.775,30 5.676,31 3.74,32 4.45,33 4.651,34 3.794,35 3.748,36 5.567,37 3.713,38 4.445,39 4.634,40 3.809,41 3.744,42 5.585,43 3.694,44 4.525,45 4.761,46 3.71,47 3.674,48 5.69,49 3.57,50 4.414,51 4.701,52 3.39,53 3.386,54 5.444,55 3.226,56 0.131,57 0.635,58 6.352,59 2.894,60 13.226,61 3.536,62 0.247,63 1.005,64 12.413,65 5.035,66 20.708,67 6.483,68 0.449,69 1.142,70 21.348,71 6.671,72 41.485,73 8.873,74 0.498,75 1.131,76 22.713,77 6.378,78 42.885,79 8.612,80 0.379,81 1.092,82 15.405,83 5.272,84 33.481,85 7.048,86 0.333,87 1.053,88 15.378,89 5.608,90 30.196,91 7.478,92 0.506,93 0.989,94 20.584,95 6.643,96 56.434,97 9.26,98 0.52,99 0.709,100 24.146,101 6.347,102 59.172,103 8.988,104 10,105 38,106 0.313,107 0.742,108 0.856,109 0.897,110 0.897,111 0.897,112 3.19,113 0.89,114 -4.13,115 -4.08,116 -3.86,119 39.5,121 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 6,177 1,178 1,180 3,183 4,185 1,186 1,187 4,190 1,192 3,195 5,198 2,199 6,201 3,202 4,204 2,207 3,209 1,212 5,215 2,217 4,220 1,222 2,224 4,227 1,229 3,232 3,234 2,237 1,240 3,241 2,242 2,244 2,245 1,250 2,255 3,260 1,267 1,271 1,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 16.289,283 9.039,284 16.095,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 17.243,292 4.272,293 13.646,294 3.493,295 1.083,296 0.441,297 0.211,298 0.211,299 0.211,300 3.884,301 1,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 25.428,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.333,331 181,332 4.763,333 3.396,334 7.05,335 4.31,336 3.347,337 4.733,338 0.4,339 12.146,340 3.223,341 4.218,342 3.179,343 6.261,344 3.788,345 2.843,346 3.88,348 9.314,349 2.686,350 3.878,351 2.813,352 5.971,353 3.599,354 2.651,355 3.243,357 8.322,358 2.502,359 3.68,360 2.456,361 5.68,362 3.257,363 2.324,364 3.086,366 7.318,367 2.121,368 3.239,369 2.118,370 5.078,371 2.933,372 1.994,373 2.365,375 5.689,376 1.868,377 2.996,378 1.88,379 4.469,380 2.445,381 1.513,382 2.231,384 4.136,385 1.407,386 2.82,387 1.563,388 4.235,389 2.347,390 1.414,391 1.948,393 3.533,394 1.282,395 2.638,396 1.518,397 4.038,398 2.278,399 1.342,400 1.684,402 3.509,403 1.251,404 2.442,405 1.087,406 3.662,407 1.962,408 1.035,409 1.423,411 2.565,412 0.948,413 1.857,414 0.812,415 3.249,416 1.637,417 0.683,418 0.784,420 1.743,421 0.647,422 1.618,423 0.754,424 3,425 1.58,426 0.618,427 0.618,428 1.372,429 0.593,430 1.371,431 0.584,432 2.736,433 0.925,434 0.103,435 0.124,436 0.227,437 0.072,438 1.057,439 -0.144,440 2.462,441 0.618,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.283,449 2.375,450 0.35,451 -0.595,452 -0.769,454 -1.604,455 -0.539,456 0.626,457 -0.687,458 2.333,459 0.125,460 -0.795,461 -1.041,463 -2.197,464 -0.701,465 10.948,466 0.476,467 0.61,468 0.027,469 31,470 1.348,471 15,472 0.652,473 16,474 0.696,475 17.448,476 0.759,477 24.452,478 0.643,479 21.643,480 0.941,481 5.96,482 0.259,483 5.188,484 0.226,485 0.132,487 0.402,493 0.93,494 1.261,495 0.605,496 0.854,497 0.969,498 0.789,499 0.781,500 1.147,501 0.652,502 0.893,503 0.577,504 0.856,505 0.89,506 1.152,507 0.824,508 0.985,509 0.711,510 0.93,511 0.954,512 0.876,513 0.938,514 0.85,515 0.854,516 0.837,517 0.992,518 1.112,519 0.775,520 0.909,521 0.829,522 0.992,523 0.875,524 1.304,525 0.851,526 1.181,527 0.952,528 1.197,529 0.716,530 1.028,531 0.891,532 1.122,533 0.867,534 1.196,535 1.008,536 0.742,537 0.932,538 0.947,539 1.195,540 1.008,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 15945,553 2.141,554 39.5,556 8,558 1,559 4,562 2,564 1.666,565 2,566 2.981,567 1.908,568 1,569 1,571 1,573 66.705,574 1.755,575 4.165,576 4.807,577 5.037,578 5.037,579 5.037,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,590 1,591 199.421,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.33,606 1,607 0.58,608 104.348,609 -0.13,610 -0.041,612 0.07,613 -0.156,614 0.067,615 -0.016,616 0.006,617 0.041,618 0.034,619 0.06,620 0.04,621 0.024,622 -0.134,623 0.066,624 -0.033,625 0.127,626 0.021,627 -0.016,628 0.15,629 -0.025,630 0.075,631 -0.006,632 0.099,633 -0.16,634 -0.003,635 -0.13,636 -0.032,637 -0.076,638 -0.106,639 -0.064,640 -0.22,641 -0.135,642 -0.263,643 -0.111,644 -0.284,645 0.185,646 -0.073,647 -0.016,648 -0.174,649 0.113,650 -0.216,651 0.058,652 0.038,653 0.168,654 0.064,655 -0.003,656 0.07,657 1.662,658 3.882,659 0.87,660 16.378,661 1.018,662 1.137,663 2.905,664 8.439,665 0.688,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.666,678 330.81,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 15.8,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 38,733 16,734 1,735 26,737 41,738 15,739 11,740 3,741 3,746 4,747 5,748 1,755 2,758 2,761 11,762 4,777 1,778 1,781 15,782 6,783 4,784 8,785 1,790 6,794 0.75,795 1,803 1,806 1,808 1,811 2,812 2,815 1,835 1,840 3,845 1,848 23,849 1,853 1,854 3,855 1,858 1,869 1,870 2.6,872 1,877 11.5,878 6.643,879 4.944,880 2.199,881 3.077,882 1.423,883 1.006,884 3.6,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.467,900 3.733,901 7.809,902 16.039,904 13.617,905 2.309,906 53.111,910 129.482,911 59.852,912 102.919,913 39.149,914 42.683,917 59.852,918 211.314,919 102.919,921 6.746,922 79.337,923 106.404,924 22.411,925 2.328,926 117.711,927 39.149,928 129.482,929 162.771,930 42.683,931 39.149,933 105.94,934 66.226,937 39.624,938 72.913,939 89.383,941 129.482,942 145.602,943 99.001,946 129.482,947 22.805,948 38.824,949 18.011,950 164.963,951 129.482,952 145.602,953 99.001,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.049,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 104.042,974 14.693,975 5.636,976 2.431,977 1.4,978 143.825,979 6.455,980 13.161,984 2.045,985 1.897,986 93.591,987 374.085,988 34,999 38.68,1000 43.219,1001 0.334,1002 0.794,1003 0.916,1004 0.96,1005 0.96,1006 0.96,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1013 0.278,1014 6.629,1015 4.227,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.819,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1031 0.05,1032 10.82,1033 5.789,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.244,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1049 0.008,1050 15.401,1051 7.681,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.522,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1067 0.001,1068 20.188,1069 9.765,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.78,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1086 25.08,1087 11.957,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.05,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1104 30.022,1105 14.208,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.337,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1122 34.989,1123 16.492,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.639,1133 4917,1134 8777,1135 17.512,1136 26.154,1137 39.656,1138 40.612,1139 41.079,1140 39.794,1141 39.736,1142 52.237,1143 0.8,1144 119.749,1145 37.199,1146 5.665,1147 5.396,1148 6.646,1149 5.387,1150 5.347,1151 7.733,1152 0.8,1153 19.683,1154 5.223,1155 10.157,1156 1.525,1157 1.562,1158 1.58,1159 1.531,1160 1.528,1161 2.009,1162 0.031,1163 4.606,1164 1.431,1165 4.142,1166 4.19,1167 4.136,1168 4.002,1169 6.471,1170 4.023,1171 3.853,1172 3.883,1173 3.951,1174 3.758,1175 5.255,1176 3.764,1177 3.748,1178 3.809,1179 3.644,1180 3.586,1181 4.892,1182 3.589,1183 3.275,1184 3.365,1185 3.358,1186 3.023,1187 4.809,1188 3.055,1189 3.034,1190 3.12,1191 3.136,1192 2.807,1193 4.524,1194 2.829,1195 2.931,1196 2.976,1197 2.878,1198 2.746,1199 4.349,1200 2.748,1201 2.862,1202 2.962,1203 2.804,1204 2.627,1205 4.171,1206 2.636,1207 2.811,1208 2.902,1209 2.574,1210 2.611,1211 3.683,1212 2.587,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.396,1221 0.015,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1228 0.4,1229 12.146,1230 3.223,1231 1.924,1232 1.907,1233 1.978,1234 2.03,1235 1.241,1236 2.011,1237 1.785,1238 1.742,1239 1.886,1240 1.961,1241 1.114,1242 1.945,1243 1.585,1244 1.528,1245 1.756,1246 1.773,1247 0.94,1248 1.773,1249 1.423,1250 1.33,1251 1.684,1252 1.704,1253 0.826,1254 1.71,1255 1.127,1256 1.077,1257 1.236,1258 1.374,1259 0.267,1260 1.347,1261 0.883,1262 0.839,1263 1.15,1264 1.221,1265 0.143,1266 1.202,1267 0.87,1268 0.777,1269 1.107,1270 1.133,1271 0.087,1272 1.13,1273 0.755,1274 0.668,1275 0.98,1276 1.047,1278 1.039,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1290 5.893,1293 6.066,1294 9.882,1295 2.766,1296 3.323,1299 0.224,1305 25.305,1306 66.705,1307 158.26,1308 182.666,1309 191.421,1310 191.421,1311 191.421,1312 34.865,1313 7.274,1314 101.88,1315 101.88,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 157.685,1325 257.44,1326 376.512,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.563,1332 16.474,1333 12.955,1334 11.148,1335 0.429,1336 0.297,1337 7.244,1338 10.402,1339 7.116,1340 5.83,1341 11.437,1342 7.71,1343 10.285,1344 0.271,1345 0.157,1346 10.656,1347 5.971,1348 9.187,1349 0.17,1350 0.082,1351 9.615,1352 4.437,1353 7.78,1354 0.104,1355 0.041,1356 7.931,1357 3.078,1358 6.179,1359 0.064,1360 0.02,1361 6.374,1362 1.923,1363 0.357,1364 73.283,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 372.579,1370 156.447,1371 394.984,1372 538.93,1373 368,1374 156,1375 389.313,1376 182.841,1377 401.884,1378 595.54,1379 379,1380 6.064}
{0 CHEMBL1241678,1 1.817,2 7.87,3 1.876,4 3.518,5 87.506,6 8.967,7 0.615,8 3.777,9 3.884,10 3.493,11 3.289,12 4.969,13 3.309,14 4.295,15 4.438,16 3.902,17 3.703,18 5.449,19 3.707,20 4.508,21 4.691,22 3.987,23 3.791,24 5.687,25 3.768,26 4.506,27 4.714,28 3.89,29 3.753,30 5.675,31 3.728,32 4.432,33 4.621,34 3.802,35 3.722,36 5.573,37 3.699,38 4.415,39 4.592,40 3.814,41 3.708,42 5.581,43 3.672,44 4.504,45 4.726,46 3.722,47 3.628,48 5.712,49 3.542,50 4.365,51 4.63,52 3.39,53 3.316,54 5.425,55 3.18,56 0.15,57 0.594,58 5.656,59 2.961,60 14.454,61 3.316,62 0.343,63 0.938,64 11.896,65 5.145,66 25.822,67 5.915,68 0.536,69 1.082,70 19.109,71 6.289,72 42.733,73 7.728,74 0.54,75 1.097,76 20.951,77 6.161,78 43.999,79 7.938,80 0.44,81 1.046,82 14.422,83 5.281,84 35.328,85 6.632,86 0.374,87 0.998,88 14.064,89 5.559,90 31.185,91 6.924,92 0.608,93 0.932,94 19.863,95 6.568,96 61.845,97 8.715,98 0.605,99 0.647,100 23.354,101 6.407,102 61.962,103 8.429,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.875,114 -4.13,115 -4.08,116 -3.86,119 40.5,121 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 4,185 1,186 2,187 4,192 3,195 5,198 3,199 6,201 3,202 3,204 2,207 3,209 1,211 1,212 6,215 1,217 3,220 1,222 2,224 5,227 1,229 2,232 3,234 2,236 1,237 3,239 1,240 3,241 1,244 1,245 1,250 3,255 2,260 1,266 1,271 1,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 14.553,283 9.039,284 16.165,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 12.608,292 4.272,293 13.748,294 3.392,295 1.038,296 0.453,297 0.216,298 0.216,299 0.216,300 3.884,301 1,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 27.443,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.833,331 181,332 4.763,333 3.4,334 7.05,335 4.31,336 3.347,337 4.733,338 0.86,339 12.146,340 3.222,341 4.218,342 3.181,343 6.261,344 3.787,345 2.843,346 3.88,348 9.314,349 2.68,350 3.878,351 2.865,352 5.971,353 3.594,354 2.651,355 3.243,357 8.322,358 2.49,359 3.68,360 2.46,361 5.68,362 3.256,363 2.324,364 3.086,366 7.318,367 2.121,368 3.239,369 2.271,370 5.078,371 2.92,372 1.994,373 2.365,375 5.689,376 1.841,377 2.996,378 1.882,379 4.469,380 2.445,381 1.513,382 2.231,384 4.136,385 1.406,386 2.82,387 1.688,388 4.235,389 2.347,390 1.414,391 1.948,393 3.533,394 1.28,395 2.638,396 1.529,397 4.038,398 2.253,399 1.342,400 1.684,402 3.509,403 1.216,404 2.442,405 1.091,406 3.662,407 1.958,408 1.035,409 1.423,411 2.565,412 0.942,413 1.857,414 0.939,415 3.249,416 1.617,417 0.683,418 0.784,420 1.743,421 0.63,422 1.618,423 0.87,424 3,425 1.537,426 0.618,427 0.618,428 1.372,429 0.563,430 1.371,431 0.587,432 2.736,433 0.925,434 0.103,435 0.124,436 0.227,437 0.072,438 1.057,439 -0.139,440 2.462,441 0.617,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.282,449 2.375,450 0.35,451 -0.595,452 -0.769,454 -1.604,455 -0.539,456 0.626,457 -0.628,458 2.333,459 0.122,460 -0.795,461 -1.041,463 -2.197,464 -0.699,465 10.881,466 0.473,467 0.61,468 0.027,469 31,470 1.348,471 15,472 0.652,473 16,474 0.696,475 17.307,476 0.752,477 24.519,478 0.663,479 21.785,480 0.947,481 6.017,482 0.262,483 5.131,484 0.223,485 0.133,487 0.404,493 0.902,494 1.237,495 0.581,496 0.899,497 0.968,498 0.797,499 0.999,500 1.099,501 0.666,502 0.852,503 0.685,504 0.816,505 0.939,506 1.215,507 0.867,508 0.981,509 0.777,510 0.947,511 0.851,512 0.919,513 0.957,514 0.886,515 0.845,516 0.876,517 0.909,518 1.105,519 0.757,520 0.912,521 0.8,522 0.99,523 0.846,524 1.28,525 0.832,526 1.184,527 0.938,528 1.189,529 0.757,530 0.998,531 0.885,532 1.092,533 0.859,534 1.173,535 1.134,536 0.704,537 0.945,538 0.937,539 1.222,540 0.992,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 16947,553 2.141,554 37.8,556 8,558 1,559 3,562 2,564 1.666,565 2,566 2.981,567 1.118,568 1,569 1,571 1,573 67.234,574 1.817,575 4.171,576 4.757,577 4.993,578 4.993,579 4.993,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,590 1,591 192.75,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.5,606 1,607 0.58,608 104.348,609 -0.113,610 -0.048,611 0.005,612 0.024,613 -0.161,614 0.046,615 -0.099,616 0.011,617 0.03,618 0.078,619 0.002,620 0.065,621 -0.026,622 -0.179,623 0.015,624 -0.039,625 0.074,626 -0.018,627 -0.006,628 0.139,629 -0.057,630 0.03,631 -0.015,632 0.054,633 -0.112,634 0.001,635 -0.115,636 -0.037,637 -0.056,638 -0.102,639 -0.058,640 -0.202,641 -0.118,642 -0.271,643 -0.105,644 -0.279,645 0.185,646 -0.055,647 0.01,648 -0.141,649 0.137,650 -0.182,651 0.013,652 0.046,653 0.203,654 0.1,655 -0.003,656 0.122,657 1.675,658 3.872,659 0.87,660 16.378,661 1.024,662 1.133,663 2.905,664 8.439,665 0.692,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.676,678 331.79,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 13.5,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 26,737 40,738 15,739 11,740 3,741 3,746 4,747 5,748 1,755 2,758 2,761 11,762 4,777 1,778 1,781 14,782 6,783 3,784 8,785 1,790 5,794 0.75,795 2,801 1,803 1,806 1,811 2,812 2,815 1,839 1,840 3,845 1,848 23,849 1,853 1,854 3,856 1,858 1,869 1,870 5.4,872 1,874 1,877 11.5,878 6.56,879 4.944,880 2.116,881 3.077,882 1.423,883 0.994,884 3.6,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.467,900 3.734,901 7.853,902 15.941,904 13.457,905 2.353,906 54.111,910 129.482,911 64.826,912 84.908,913 39.149,914 53.683,917 64.826,918 222.314,919 84.908,921 11.719,922 61.326,923 117.404,924 22.411,925 2.328,926 117.711,927 39.149,928 129.482,929 149.734,930 53.683,931 39.149,933 105.94,934 66.226,935 11,937 26.587,938 72.913,939 89.383,941 129.482,942 138.591,943 103.974,946 129.482,947 27.778,948 38.824,950 175.963,951 129.482,952 138.591,953 103.974,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.05,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 104.042,974 14.693,975 5.636,976 2.431,977 1.332,978 136.814,979 6.391,980 13.078,984 1.954,985 1.835,986 75.581,987 372.048,988 34,999 37.905,1000 41.93,1001 0.349,1002 0.801,1003 0.913,1004 0.958,1005 0.958,1006 0.958,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1013 0.908,1014 6.629,1015 4.217,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.819,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1031 0.739,1032 10.82,1033 5.776,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.239,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1049 0.593,1050 15.401,1051 7.67,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.515,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1067 0.469,1068 20.188,1069 9.756,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.773,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1085 0.366,1086 25.08,1087 11.949,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.043,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1103 0.283,1104 30.022,1105 14.2,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.33,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1121 0.217,1122 34.989,1123 16.486,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.633,1133 4917,1134 9029,1135 17.512,1136 25.602,1137 39.656,1138 40.962,1139 41.079,1140 39.743,1141 39.736,1142 52.237,1143 1.72,1144 119.749,1145 36.929,1146 5.665,1147 5.4,1148 6.646,1149 5.395,1150 5.347,1151 7.733,1152 1.72,1153 19.683,1154 5.222,1155 10.157,1156 1.525,1157 1.575,1158 1.58,1159 1.529,1160 1.528,1161 2.009,1162 0.066,1163 4.606,1164 1.42,1165 4.14,1166 4.185,1167 4.136,1168 4,1169 6.471,1170 4.022,1171 3.849,1172 3.87,1173 3.95,1174 3.754,1175 5.255,1176 3.761,1177 3.725,1178 3.77,1179 3.624,1180 3.551,1181 4.896,1182 3.559,1183 3.267,1184 3.349,1185 3.357,1186 3.02,1187 4.813,1188 3.052,1189 3.031,1190 3.118,1191 3.126,1192 2.799,1193 4.615,1194 2.82,1195 2.931,1196 2.976,1197 2.877,1198 2.746,1199 4.489,1200 2.748,1201 2.861,1202 2.958,1203 2.804,1204 2.626,1205 4.194,1206 2.636,1207 2.782,1208 2.845,1209 2.573,1210 2.596,1211 3.686,1212 2.575,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.4,1221 0.033,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1228 0.86,1229 12.146,1230 3.222,1231 1.924,1232 1.907,1233 1.978,1234 2.03,1235 1.241,1236 2.011,1237 1.785,1238 1.742,1239 1.886,1240 1.96,1241 1.114,1242 1.944,1243 1.585,1244 1.528,1245 1.75,1246 1.773,1247 0.865,1248 1.772,1249 1.317,1250 1.264,1251 1.585,1252 1.618,1253 0.782,1254 1.609,1255 1.114,1256 1.069,1257 1.231,1258 1.362,1259 0.262,1260 1.336,1261 0.883,1262 0.839,1263 1.15,1264 1.221,1265 0.142,1266 1.202,1267 0.866,1268 0.773,1269 1.107,1270 1.132,1271 0.087,1272 1.13,1273 0.75,1274 0.665,1275 0.974,1276 1.041,1278 1.032,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1290 5.885,1293 6.05,1294 9.872,1295 2.154,1297 5.448,1299 0.112,1305 24.998,1306 67.234,1307 154.343,1308 175.995,1309 184.75,1310 184.75,1311 184.75,1312 35.589,1313 7.274,1314 99.08,1315 99.08,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 154.887,1325 255.23,1326 369.684,1327 12138,1328 2.7,1329 15.974,1330 0.695,1331 0.559,1332 16.474,1333 12.864,1334 11.148,1335 0.429,1336 0.292,1337 7.099,1338 10.336,1339 6.975,1340 5.687,1341 11.437,1342 7.58,1343 10.285,1344 0.271,1345 0.154,1346 10.656,1347 5.841,1348 9.187,1349 0.17,1350 0.08,1351 9.615,1352 4.309,1353 7.78,1354 0.104,1355 0.039,1356 7.931,1357 2.945,1358 6.179,1359 0.064,1360 0.02,1361 6.374,1362 1.872,1363 0.357,1364 73.783,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 401.981,1370 157.938,1371 415.57,1372 562.73,1373 388,1374 156,1375 399.822,1376 184.36,1377 411.151,1378 609.98,1379 387,1380 6.947}
{0 CHEMBL1241679,1 1.489,2 7.286,3 2.305,4 5.313,5 82.301,6 7.953,7 0.696,8 3.671,9 3.804,10 3.298,11 3.221,12 4.905,13 3.217,14 4.149,15 4.332,16 3.662,17 3.591,18 5.275,19 3.574,20 4.354,21 4.558,22 3.743,23 3.706,24 5.5,25 3.68,26 4.444,27 4.676,28 3.74,29 3.715,30 5.624,31 3.675,32 4.356,33 4.568,34 3.589,35 3.667,36 5.481,37 3.613,38 4.309,39 4.512,40 3.511,41 3.617,42 5.504,43 3.545,44 4.39,45 4.665,46 3.184,47 3.49,48 5.471,49 3.35,50 4.156,51 4.491,52 2.692,53 3.129,54 5.201,55 2.913,56 0.053,57 0.586,58 6.198,59 2.636,60 10.772,61 3.453,62 0.142,63 0.897,64 11.591,65 4.445,66 17.702,67 6.099,68 0.161,69 1.064,70 14.936,71 5.05,72 20.165,73 7.104,74 0.308,75 1.125,76 17.548,77 5.501,78 39.303,79 7.855,80 0.193,81 1.034,82 15.133,83 4.841,84 27.468,85 6.759,86 0.152,87 0.982,88 14.019,89 4.995,90 29.898,91 6.928,92 0.248,93 0.928,94 18.318,95 5.736,96 40.993,97 8.456,98 0.222,99 0.637,100 16.871,101 5.713,102 48.793,103 8.731,104 21,105 33,106 0.268,107 0.691,108 0.782,109 0.823,110 0.823,111 0.823,112 3.105,113 0.862,114 -4.3,115 -4.24,116 -4,119 42.9,120 2,127 1,142 4,143 3,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 8,177 1,178 1,180 1,183 8,185 1,186 1,187 7,195 5,198 2,199 10,201 3,202 3,204 1,207 4,209 1,212 8,217 2,220 3,222 2,223 1,224 8,229 4,232 4,234 4,236 1,237 2,242 1,245 4,247 1,249 2,252 1,253 1,258 2,263 2,275 538,276 14.146,277 14.146,278 14.146,279 14.146,280 14.146,281 12.224,282 12.811,283 8.188,284 14.417,285 11.277,286 11.277,287 11.277,288 11.277,289 11.277,290 8.227,291 9.844,292 3.764,293 11.718,294 3.64,295 1.293,296 0.786,297 0.557,298 0.557,299 0.557,300 3.781,303 1,304 1,305 1,306 323,307 2.739,310 39.203,311 107.011,314 75.153,318 1.061,319 18.167,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 45,331 153,332 4.759,333 4.058,334 7.039,335 4.3,336 3.336,337 4.731,338 2.035,339 12.085,340 3.217,341 4.144,342 3.373,343 6.158,344 3.701,345 2.72,346 3.754,348 8.894,349 2.668,350 3.811,351 2.749,352 5.793,353 3.455,354 2.498,355 3.205,357 7.753,358 2.387,359 3.693,360 2.585,361 5.257,362 3.18,363 2.207,364 3,366 6.515,367 2.145,368 3.173,369 2.218,370 4.818,371 2.683,372 1.742,373 2.283,375 4.817,376 1.636,377 3.02,378 1.819,379 4.408,380 2.478,381 1.525,382 2.133,384 4.02,385 1.451,386 2.843,387 1.525,388 3.859,389 2.198,390 1.225,391 1.818,393 2.807,394 1.19,395 2.625,396 1.224,397 3.521,398 1.964,399 1,400 1.438,402 2.528,403 0.962,404 2.457,405 1,406 3.446,407 1.739,408 0.779,409 1.012,411 1.979,412 0.746,413 2.111,414 0.815,415 2.717,416 1.372,417 0.427,418 0.865,420 0.621,421 0.402,422 1.062,423 -0.05,424 2.582,425 0.631,426 -0.286,427 -0.363,428 -0.667,429 -0.261,430 0.886,431 -0.152,432 2.416,433 0.397,434 -0.577,435 -0.805,436 -1.358,437 -0.562,438 0.729,439 -0.609,440 2.252,441 0.187,442 -0.786,443 -1,445 -2,446 -0.758,447 0.562,448 -0.813,449 2,450 0.064,451 -0.881,452 -1.151,454 -2.003,455 -0.836,456 0.163,457 -1,458 1.672,460 -1,461 -1.285,463 -2.467,464 -1,465 9.9,466 0.471,467 0.559,468 0.027,469 31.25,470 1.488,471 17.5,472 0.833,473 13.75,474 0.655,475 14.194,476 0.676,477 21.3,478 0.609,479 20.961,480 0.998,481 5.932,482 0.282,483 4.181,484 0.199,485 0.182,487 0.394,493 0.84,494 1.205,495 0.735,496 0.98,497 0.719,498 0.866,499 0.711,500 1.025,501 0.667,502 0.871,503 0.436,504 0.782,505 1.094,506 1.185,507 0.869,508 0.96,509 0.635,510 0.893,511 1.039,512 0.882,513 0.913,514 0.834,515 0.953,516 0.849,517 1.42,518 1.114,519 1.206,520 1.046,521 0.928,522 1.083,523 1.145,524 1.266,525 1.246,526 1.306,527 0.984,528 1.295,529 1.143,530 0.953,531 1.252,532 1.116,533 1.093,534 1.186,535 0.321,536 0.596,537 0.77,538 0.874,539 0.59,540 0.891,541 4,543 2.444,544 1.979,545 1.656,546 0.778,547 0.478,548 0.299,549 0.123,550 0.016,551 3674,552 10655,553 2.045,554 40,556 5,558 1,559 2,561 6,564 1.641,565 1.881,566 2.883,567 0.378,569 1,571 1,573 52.109,574 1.489,575 3.836,576 4.343,577 4.572,578 4.572,579 4.572,580 2.244,581 4.107,582 4.363,583 2.983,584 626.432,585 7.521,586 6445.86,587 1,588 1,590 1,591 179.525,592 1.51,593 4.305,594 0.174,596 0.074,597 0.057,598 0.049,599 0.027,600 0.018,601 0.018,602 0.012,603 0.005,604 0.434,605 0.5,606 1,607 0.988,608 92.018,609 0.011,610 -0.057,611 0.041,612 -0.006,613 -0.06,614 0.017,615 0.195,616 0.043,617 0.204,618 0.107,619 0.107,620 0.147,621 -0.087,622 -0.14,623 0.042,624 -0.011,625 0.023,626 0.027,627 0.086,628 0.143,629 0.053,630 0.094,631 -0.013,632 0.073,633 -0.362,634 -0.066,635 -0.291,636 -0.116,637 -0.129,638 -0.178,639 -0.189,640 -0.235,641 -0.348,642 -0.353,643 -0.087,644 -0.372,645 -0.16,646 -0.055,647 -0.216,648 -0.141,649 -0.132,650 -0.179,651 0.429,652 0.128,653 0.385,654 0.203,655 0.431,656 0.271,657 1.274,658 3.045,659 0.714,660 13.732,661 1.004,662 1.133,663 3.069,664 9.42,665 0.688,666 3.178,667 3.526,668 3.85,669 4.174,670 4.431,671 4.543,672 4.615,673 4.673,674 4.595,675 4.511,676 4.573,677 0.664,678 278.35,679 3.178,680 4.727,681 5.602,682 6.509,683 7.412,684 8.329,685 9.242,686 10.163,687 11.081,688 12.005,689 17.1,693 1,697 1,698 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,713 1,722 1,731 35,733 17,734 1,735 23,737 37,738 15,739 11,740 2,741 4,746 3,747 4,752 2,758 1,760 1,761 11,762 3,777 1,778 1,781 14,782 5,783 2,784 6,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 21,849 1,858 1,861 1,866 1,868 1,877 11.167,878 7.083,879 4.667,880 2.108,881 3.364,882 1.49,883 0.99,884 3.229,885 10.226,886 3.526,887 4.171,888 4.882,889 5.558,890 6.145,891 6.548,892 6.996,893 7.418,894 7.676,895 7.966,896 0.8,897 35,898 7.673,900 3.235,901 7.825,902 14.443,904 11.678,905 2.325,906 48.833,910 141.253,911 96.52,912 115.967,917 96.52,918 141.253,919 115.967,920 17.65,922 70.802,923 80.322,924 53.155,925 2.328,926 129.482,928 141.253,929 212.487,933 70.627,934 70.627,937 63.577,938 98.676,939 50.234,941 141.253,942 115.967,943 96.52,946 141.253,947 15.744,948 65.951,949 16.602,950 114.191,951 141.253,952 115.967,953 96.52,955 0.583,956 0.355,957 0.202,958 0.118,959 17,960 8,961 0.054,962 2,963 1,964 1.133,965 3.178,966 169.479,967 0.133,968 15,969 90.239,974 13.389,975 5.065,976 2.192,977 1.427,978 114.191,979 8.714,980 12.973,984 2.508,985 1.821,986 32.897,987 353.74,988 33,999 35.145,1000 39.651,1001 0.29,1002 0.748,1003 0.847,1004 0.891,1005 0.891,1006 0.891,1007 4.771,1008 1,1009 5.609,1010 2.807,1011 4.205,1012 4.856,1013 2.228,1014 6.485,1015 4.132,1016 6.021,1017 0.779,1018 7.209,1019 2.528,1020 3.892,1021 4.745,1023 7.532,1024 3.793,1025 7.354,1026 0.427,1027 8.912,1028 1.979,1029 5.849,1030 7.18,1031 3.563,1032 10.685,1033 5.711,1034 8.727,1035 -0.286,1036 10.676,1037 0.621,1038 6.365,1039 7.954,1041 12.59,1042 6.195,1043 10.135,1044 -0.577,1045 12.48,1046 -0.667,1047 7.82,1048 9.844,1049 4.962,1050 15.285,1051 7.616,1052 11.57,1053 -0.786,1054 14.312,1055 -1.358,1056 8.71,1057 11.037,1059 17.54,1060 8.47,1061 13.027,1062 -0.881,1063 16.165,1064 -2,1065 9.983,1066 12.711,1067 6.378,1068 20.09,1069 9.709,1070 3.336,1071 -1,1072 18.034,1073 -2.003,1074 11.042,1075 14.101,1077 22.487,1078 10.731,1079 2.72,1080 12.085,1081 19.917,1082 -2.467,1083 12.253,1084 15.692,1085 7.797,1086 24.992,1087 11.907,1088 2.498,1089 8.894,1090 21.81,1091 4.731,1092 13.388,1093 17.172,1095 27.446,1096 13.003,1097 2.207,1098 7.753,1099 23.712,1100 3.754,1101 14.583,1102 18.734,1103 9.217,1104 29.939,1105 14.162,1106 1.742,1107 6.515,1108 25.621,1109 3.205,1110 15.752,1111 20.254,1113 32.415,1114 15.292,1115 1.525,1116 4.817,1117 27.537,1118 3,1119 16.945,1120 21.807,1121 10.638,1122 34.905,1123 16.448,1124 1.225,1125 4.02,1126 29.458,1127 2.283,1128 18.131,1129 23.344,1131 37.39,1132 17.596,1133 3696,1134 6402,1135 15.027,1136 24.08,1137 36.575,1138 37.905,1139 36.944,1140 34.926,1141 34.92,1142 48.481,1143 4.069,1144 104.039,1145 33.608,1146 5.425,1147 6.058,1148 6.628,1149 5.373,1150 5.336,1151 7.731,1152 4.069,1153 19.548,1154 5.217,1155 11.017,1156 1.59,1157 1.648,1158 1.606,1159 1.519,1160 1.518,1161 2.108,1162 0.177,1163 4.523,1164 1.461,1165 4.133,1166 4.18,1167 4.115,1168 4,1169 6.82,1170 4.021,1171 3.854,1172 3.887,1173 3.805,1174 3.76,1175 5.255,1176 3.77,1177 3.576,1178 3.654,1179 3.445,1180 3.407,1181 4.878,1182 3.4,1183 3.249,1184 3.317,1185 3.204,1186 3.075,1187 4.667,1188 3.101,1189 3.122,1190 3.197,1191 3.036,1192 2.923,1193 4.468,1194 2.942,1195 2.996,1196 3.103,1197 2.875,1198 2.694,1199 4.072,1200 2.73,1201 2.874,1202 3.009,1203 2.629,1204 2.618,1205 3.711,1206 2.603,1207 2.769,1208 2.844,1209 2.499,1210 2.601,1211 3.596,1212 2.57,1213 0.207,1214 0.176,1215 0.306,1216 0.187,1217 0.145,1218 4.759,1219 0.206,1220 4.058,1221 0.088,1222 7.039,1223 0.525,1224 4.3,1225 0.14,1226 3.336,1227 4.731,1228 2.035,1229 12.085,1230 3.217,1231 1.945,1232 1.923,1233 2.023,1234 2.039,1235 1.155,1236 2.027,1237 1.802,1238 1.754,1239 1.946,1240 1.987,1241 1.118,1242 1.977,1243 1.616,1244 1.552,1245 1.779,1246 1.813,1247 0.838,1248 1.814,1249 1.196,1250 1.145,1251 1.417,1252 1.42,1253 0.469,1254 1.391,1255 1.057,1256 0.997,1257 1.289,1258 1.288,1259 0.302,1260 1.308,1261 0.934,1262 0.804,1263 1.222,1264 1.239,1265 0.186,1266 1.267,1267 0.88,1268 0.784,1269 1.167,1270 1.2,1271 0.041,1272 1.197,1273 0.762,1274 0.673,1275 0.99,1276 1.063,1278 1.057,1279 3.85,1281 5.187,1282 2.398,1283 6.732,1284 4.844,1285 8.374,1286 7.081,1287 10.067,1289 4.056,1293 6.009,1299 0.148,1303 9.045,1304 2.132,1305 23.236,1306 52.109,1307 134.264,1308 152.015,1309 160.015,1310 160.015,1311 160.015,1312 29.82,1313 6.862,1314 93.41,1315 93.41,1316 17,1317 12.512,1318 4.17,1319 3.459,1320 31.842,1321 56,1322 63,1323 0.288,1324 146.895,1325 240.52,1326 350.183,1327 7210,1329 14.983,1330 0.713,1331 0.561,1332 14.983,1333 11.778,1334 10.113,1335 0.44,1336 0.287,1337 6.521,1338 9.745,1339 6.301,1340 5.292,1341 10.113,1342 6.607,1343 9.158,1344 0.278,1345 0.153,1346 9.158,1347 5.037,1348 7.8,1349 0.17,1350 0.071,1351 7.8,1352 3.272,1353 6.733,1354 0.105,1355 0.036,1356 6.733,1357 2.294,1358 5.588,1359 0.067,1360 0.019,1361 5.588,1362 1.565,1363 0.425,1364 63.177,1365 0.258,1366 20.1,1367 0.877,1368 112,1369 321.538,1370 122.13,1371 324.442,1372 452.14,1373 302,1374 135,1375 348.701,1376 146.296,1377 355.971,1378 519.37,1379 334,1380 5.337}
{0 CHEMBL1241680,1 1.637,2 7.364,3 2.511,4 6.303,5 82.517,6 8.467,7 0.667,8 3.683,9 3.812,10 3.352,11 3.219,12 4.977,13 3.232,14 4.165,15 4.341,16 3.736,17 3.587,18 5.387,19 3.595,20 4.38,21 4.573,22 3.847,23 3.701,24 5.683,25 3.711,26 4.469,27 4.691,28 3.82,29 3.711,30 5.841,31 3.697,32 4.363,33 4.571,34 3.63,35 3.665,36 5.522,37 3.623,38 4.324,39 4.521,40 3.603,41 3.614,42 5.622,43 3.565,44 4.409,45 4.676,46 3.363,47 3.485,48 5.603,49 3.386,50 4.191,51 4.51,52 3.068,53 3.121,54 5.552,55 2.979,56 0.094,57 0.655,58 5.417,59 2.664,60 11.119,61 3.174,62 0.212,63 1.007,64 10.846,65 4.488,66 24.845,67 5.695,68 0.3,69 1.228,70 14.318,71 5.123,72 30.212,73 6.393,74 0.496,75 1.241,76 17.254,77 5.553,78 77.513,79 7.238,80 0.289,81 1.066,82 14.078,83 4.856,84 33.726,85 6.408,86 0.291,87 1.065,88 12.987,89 5.017,90 38.952,91 6.565,92 0.413,93 1.02,94 18.294,95 5.758,96 47.935,97 8.12,98 0.463,99 0.782,100 18.163,101 5.716,102 80.106,103 8.684,104 30,105 35,106 0.295,107 0.726,108 0.799,109 0.823,110 0.823,111 0.823,112 3.148,113 0.839,114 -4.69,115 -4.61,116 -4.33,119 42.9,120 2,127 1,142 3,143 3,144 1,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 8,177 1,178 1,180 1,183 6,185 1,186 1,187 6,195 4,198 2,199 10,201 3,202 3,204 1,207 4,209 1,212 7,217 2,220 2,222 2,223 1,224 7,229 4,232 4,234 4,236 1,245 4,249 2,252 1,253 1,263 2,275 610,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.671,282 13.306,283 8.34,284 14.968,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.616,291 9.877,292 3.808,293 12.287,294 3.492,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.822,303 1,304 1,305 1,306 340,307 2.828,310 42.346,311 114.652,314 80.972,318 1.091,319 28.467,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48.5,331 162,332 4.76,333 4.077,334 7.039,335 4.302,336 3.338,337 4.732,338 2.035,339 12.087,340 3.22,341 4.288,342 3.375,343 6.203,344 3.831,345 2.861,346 3.946,348 9.116,349 2.769,350 3.831,351 3.052,352 6.004,353 3.493,354 2.54,355 3.222,357 8.33,358 2.417,359 3.725,360 2.684,361 5.688,362 3.292,363 2.336,364 3.121,366 7.355,367 2.23,368 3.327,369 2.448,370 4.819,371 2.683,372 1.743,373 2.284,375 4.818,376 1.636,377 3.029,378 1.832,379 4.469,380 2.506,381 1.539,382 2.165,384 4.123,385 1.481,386 2.975,387 1.781,388 4.202,389 2.437,390 1.503,391 2.118,393 3.827,394 1.394,395 2.653,396 1.524,397 3.861,398 2.006,399 1.062,400 1.531,402 2.759,403 0.999,404 2.521,405 1.091,406 3.491,407 1.775,408 0.815,409 1.037,411 2.05,412 0.78,413 2.126,414 0.871,415 2.879,416 1.47,417 0.525,418 0.966,420 0.884,421 0.493,422 1.302,423 0.574,424 2.693,425 0.779,426 -0.132,427 -0.183,428 -0.255,429 -0.117,430 1.056,431 -0.148,432 2.425,433 0.599,434 -0.309,435 -0.404,436 -0.707,437 -0.279,438 0.729,439 -0.28,440 2.257,441 0.199,442 -0.759,443 -1,445 -2,446 -0.714,447 0.616,448 -0.711,449 2.199,450 0.106,451 -0.849,452 -1.08,454 -2.058,455 -0.819,456 0.222,457 -0.858,458 2,460 -1,461 -1.233,463 -2.325,464 -0.973,465 10.186,466 0.463,467 0.648,468 0.029,469 32,470 1.455,471 17.5,472 0.795,473 14.5,474 0.659,475 15.42,476 0.701,477 22.814,478 0.652,479 22.747,480 1.034,481 6.151,482 0.28,483 4.373,484 0.199,485 0.205,487 0.432,491 1,493 0.668,494 1.085,495 0.668,496 0.979,497 0.606,498 0.853,499 0.652,500 0.988,501 0.598,502 0.874,503 0.503,504 0.755,505 1.064,506 1.196,507 0.842,508 0.966,509 0.777,510 0.866,511 0.938,512 0.836,513 0.938,514 0.83,515 0.808,516 0.867,517 0.844,518 0.926,519 1.128,520 1.037,521 0.591,522 1.105,523 0.732,524 1.065,525 1.137,526 1.297,527 0.689,528 1.31,529 0.826,530 0.902,531 1.134,532 1.114,533 0.887,534 1.178,535 0.375,536 0.618,537 0.621,538 0.878,539 0.619,540 0.854,541 4.5,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.458,549 0.209,550 0.031,551 4137,552 13954,553 2.017,554 37.1,556 4,558 1,559 2,561 6,564 1.653,565 1.833,566 2.92,567 0.393,569 1,571 1,573 57.306,574 1.637,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.244,581 4.096,582 4.431,583 3.037,584 701.588,585 7.655,586 7470.94,587 1,588 1,590 1,591 179.525,592 1.544,593 4.36,594 0.188,596 0.089,597 0.057,598 0.051,599 0.03,600 0.02,601 0.023,602 0.015,603 0.005,604 0.478,605 0.5,606 1,607 1.003,608 98.25,609 -0.032,610 -0.064,611 0.027,612 -0.007,613 -0.059,614 0.019,615 0.073,616 -0.024,617 0.224,618 0.1,619 0.063,620 0.176,621 -0.128,622 -0.177,623 0.042,624 -0.016,625 0.005,626 0.045,627 0.023,628 0.137,629 0.007,630 0.096,631 0.074,632 0.057,633 -0.204,634 -0.074,635 -0.269,636 -0.116,637 -0.068,638 -0.178,639 -0.015,640 -0.157,641 -0.281,642 -0.348,643 -0.006,644 -0.377,645 0.013,646 -0.083,647 -0.087,648 -0.147,649 -0.076,650 -0.142,651 0.597,652 0.16,653 0.617,654 0.193,655 0.46,656 0.346,657 2.233,658 5.515,659 0.682,660 14.818,661 1.019,662 1.143,663 3.463,664 11.99,665 0.686,666 3.219,667 3.584,668 3.912,669 4.22,670 4.477,671 4.605,672 4.682,673 4.787,674 4.745,675 4.635,676 4.745,677 0.675,678 296.34,679 3.219,680 4.779,681 5.659,682 6.569,683 7.476,684 8.394,685 9.31,686 10.232,687 11.151,688 12.075,689 17.1,693 1,697 1,698 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,713 1,722 1,730 1,731 35,733 17,734 1,735 24,737 37,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,760 1,761 11,762 3,777 1,778 1,779 1,781 13,782 6,783 2,784 7,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 1,848 22,849 1,858 1,861 1,866 1,868 1,869 1,877 12,878 7.143,879 4.861,880 2.095,881 3.352,882 1.481,883 0.99,884 3.422,885 10.313,886 3.555,887 4.216,888 4.926,889 5.6,890 6.18,891 6.597,892 7.044,893 7.501,894 7.775,895 8.049,896 0.8,897 38,898 8.081,900 3.495,901 8.068,902 14.864,904 12.051,905 2.568,906 56.5,910 129.482,911 96.165,912 115.967,915 14.96,917 96.165,918 129.482,919 130.927,920 17.65,922 61.326,923 80.322,924 62.276,925 17.288,926 117.711,928 129.482,929 212.132,930 14.96,933 73.816,934 70.627,937 63.577,938 98.321,939 50.234,941 144.442,942 115.967,943 96.165,946 129.482,947 24.865,948 56.474,949 16.602,950 129.151,951 129.482,952 130.927,953 96.165,955 0.59,956 0.363,957 0.201,958 0.114,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.227,966 181.529,967 0.133,968 15,969 96.107,974 14.282,975 5.271,976 2.287,977 1.215,978 129.151,979 5.644,980 12.768,984 0.833,985 1.734,986 32.897,987 356.574,988 34,999 35.658,1000 39.99,1001 0.319,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.812,1008 1.062,1009 5.68,1010 3.827,1011 4.263,1012 4.902,1013 2.228,1014 6.567,1015 4.176,1016 6.073,1017 0.815,1018 7.292,1019 2.759,1020 4.007,1021 4.856,1023 7.633,1024 3.883,1025 7.415,1026 0.525,1027 9.006,1028 2.05,1029 5.927,1030 7.24,1031 3.563,1032 10.774,1033 5.768,1034 8.797,1035 -0.132,1036 10.777,1037 0.884,1038 6.479,1039 8.05,1041 12.671,1042 6.283,1043 10.211,1044 -0.309,1045 12.584,1046 -0.255,1047 7.912,1048 9.912,1049 4.962,1050 15.356,1051 7.686,1052 11.651,1053 -0.759,1054 14.417,1055 -0.707,1056 8.817,1057 11.12,1059 17.597,1060 8.554,1061 13.111,1062 -0.849,1063 16.269,1064 -2,1065 10.077,1066 12.779,1067 6.378,1068 20.138,1069 9.783,1070 3.338,1071 -1,1072 18.136,1073 -2.058,1074 11.14,1075 14.172,1077 22.524,1078 10.808,1079 2.861,1080 12.087,1081 20.014,1082 -2.325,1083 12.342,1084 15.753,1085 7.797,1086 25.022,1087 11.978,1088 2.54,1089 9.116,1090 21.902,1091 4.732,1092 13.474,1093 17.23,1095 27.469,1096 13.074,1097 2.336,1098 8.33,1099 23.798,1100 3.946,1101 14.662,1102 18.785,1103 9.217,1104 29.958,1105 14.228,1106 1.743,1107 7.355,1108 25.701,1109 3.222,1110 15.826,1111 20.3,1113 32.429,1114 15.356,1115 1.539,1116 4.818,1117 27.611,1118 3.121,1119 17.013,1120 21.848,1121 10.638,1122 34.917,1123 16.508,1124 1.503,1125 4.123,1126 29.525,1127 2.284,1128 18.194,1129 23.381,1131 37.4,1132 17.652,1133 4176,1134 7790,1135 15.433,1136 24.017,1137 38.138,1138 40.144,1139 39.052,1140 36.593,1141 36.523,1142 50.245,1143 4.069,1144 110.7,1145 34.838,1146 5.431,1147 6.077,1148 6.567,1149 5.375,1150 5.338,1151 7.732,1152 4.069,1153 19.553,1154 5.22,1155 12.753,1156 1.589,1157 1.673,1158 1.627,1159 1.525,1160 1.522,1161 2.094,1162 0.17,1163 4.612,1164 1.452,1165 4.134,1166 4.181,1167 4.118,1168 4,1169 8.201,1170 4.022,1171 3.865,1172 3.896,1173 3.835,1174 3.759,1175 6.819,1176 3.775,1177 3.576,1178 3.654,1179 3.445,1180 3.407,1181 5.255,1182 3.4,1183 3.252,1184 3.319,1185 3.208,1186 3.074,1187 4.873,1188 3.103,1189 3.125,1190 3.198,1191 3.055,1192 2.923,1193 4.597,1194 2.946,1195 3,1196 3.106,1197 2.885,1198 2.693,1199 4.425,1200 2.733,1201 2.874,1202 3.009,1203 2.717,1204 2.618,1205 4.055,1206 2.613,1207 2.799,1208 2.867,1209 2.499,1210 2.6,1211 3.687,1212 2.57,1213 0.198,1214 0.17,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 4.077,1221 0.085,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1228 2.035,1229 12.087,1230 3.22,1231 1.94,1232 1.92,1233 2,1234 2.04,1235 1.154,1236 2.022,1237 1.8,1238 1.753,1239 1.945,1240 1.987,1241 1.111,1242 1.974,1243 1.615,1244 1.551,1245 1.771,1246 1.813,1247 0.829,1248 1.812,1249 1.191,1250 1.143,1251 1.417,1252 1.42,1253 0.469,1254 1.387,1255 1.053,1256 0.994,1257 1.265,1258 1.288,1259 0.254,1260 1.308,1261 0.934,1262 0.804,1263 1.221,1264 1.239,1265 0.184,1266 1.267,1267 0.874,1268 0.78,1269 1.143,1270 1.201,1271 0.035,1272 1.189,1273 0.761,1274 0.671,1275 0.99,1276 1.064,1278 1.053,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 3.944,1291 13.515,1293 5.965,1299 0.071,1303 8.986,1304 1.826,1305 23.619,1306 57.306,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 41.733,1313 6.961,1314 93.41,1315 93.41,1316 17,1317 12.582,1318 4.17,1319 3.459,1320 34.146,1321 61,1322 62,1323 0.282,1324 148.093,1325 246.59,1326 353.106,1327 8101,1328 2.9,1329 15.853,1330 0.721,1331 0.549,1332 14.983,1333 12.078,1334 10.524,1335 0.439,1336 0.28,1337 6.602,1338 10.044,1339 6.403,1340 5.35,1341 10.113,1342 6.713,1343 9.676,1344 0.276,1345 0.147,1346 9.158,1347 5.151,1348 8.326,1349 0.17,1350 0.069,1351 7.8,1352 3.368,1353 7.05,1354 0.105,1355 0.035,1356 6.733,1357 2.316,1358 5.768,1359 0.066,1360 0.018,1361 5.588,1362 1.582,1363 0.419,1364 66.507,1365 0.255,1366 20.946,1367 0.853,1368 118,1369 415.649,1370 131.961,1371 386.43,1372 524.11,1373 358,1374 143,1375 393.035,1376 157.788,1377 393.415,1378 576.27,1379 369,1380 4.328}
{0 CHEMBL1241681,1 1.443,2 8.68,3 3.288,4 10.812,5 97.731,6 7.684,7 0.724,8 3.896,9 4.026,10 3.514,11 3.472,12 4.986,13 3.458,14 4.434,15 4.605,16 3.901,17 3.9,18 5.459,19 3.864,20 4.693,21 4.923,22 3.933,23 3.987,24 5.645,25 3.924,26 4.668,27 4.909,28 3.913,29 3.938,30 5.69,31 3.884,32 4.579,33 4.789,34 3.81,35 3.921,36 5.567,37 3.857,38 4.564,39 4.772,40 3.772,41 3.9,42 5.575,43 3.826,44 4.622,45 4.862,46 3.66,47 3.855,48 5.581,49 3.75,50 4.574,51 4.862,52 3.355,53 3.685,54 5.457,55 3.53,56 0.05,57 0.717,58 8.297,59 3.522,60 8.774,61 4.698,62 0.139,63 1.178,64 15.651,65 6.239,66 16.825,67 8.555,68 0.179,69 1.416,70 22.963,71 7.979,72 23.848,73 11.511,74 0.344,75 1.395,76 22.992,77 7.306,78 34.727,79 10.555,80 0.192,81 1.291,82 19.626,83 6.612,84 25.169,85 9.322,86 0.179,87 1.267,88 19.176,89 6.804,90 26.074,91 9.56,92 0.195,93 1.275,94 21.706,95 7.536,96 29.279,97 10.855,98 0.282,99 1.124,100 22.799,101 7.733,102 38.15,103 11.39,104 2,105 42,106 0.247,107 0.624,108 0.763,109 0.841,110 0.841,111 0.841,112 3.269,113 0.895,114 -4.92,115 -4.82,116 -4.52,119 44.2,121 4,127 1,142 5,143 3,145 1,146 2,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 10,177 1,178 1,180 1,183 10,185 1,186 1,187 10,195 7,198 2,199 11,201 3,202 3,204 1,207 7,209 1,212 9,217 2,220 6,222 2,223 1,224 9,229 4,232 7,234 4,236 1,237 5,242 3,245 8,247 3,249 2,250 2,252 1,253 1,255 1,258 6,260 1,263 2,271 4,275 863,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.126,282 9.487,283 10.279,284 17.807,285 14.358,286 14.358,287 14.358,288 14.358,289 14.358,290 10.755,291 7.5,292 4.884,293 14.866,294 3.983,295 1.78,296 0.968,297 0.512,298 0.512,299 0.512,300 3.985,303 1,304 1,305 1,306 494,307 2.121,310 95.706,311 164.043,314 84.315,315 91.068,318 1.238,319 16.978,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 217,332 4.766,333 3.389,334 7.051,335 4.312,336 3.348,337 4.738,339 12.147,340 3.229,341 4.397,342 2.936,343 6.29,344 3.902,345 2.92,346 4.324,348 9.49,349 2.864,350 3.902,351 2.762,352 6.138,353 3.643,354 2.674,355 3.309,357 8.944,358 2.588,359 3.758,360 2.4,361 5.749,362 3.341,363 2.376,364 3.197,366 7.628,367 2.293,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.427,375 5.69,376 1.899,377 3.118,378 1.618,379 4.532,380 2.605,381 1.618,382 2.373,384 4.49,385 1.596,386 3.079,387 1.58,388 4.367,389 2.524,390 1.579,391 2.357,393 4.098,394 1.488,395 2.863,396 1.422,397 4.235,398 2.342,399 1.381,400 2.04,402 3.529,403 1.323,404 2.638,405 1.358,406 3.681,407 2.3,408 1.334,409 1.683,411 2.993,412 1.285,413 2.456,414 1.042,415 3.593,416 1.977,417 1.032,418 1.44,420 2.544,421 0.973,422 2.141,423 0.719,424 3.25,425 1.688,426 0.708,427 0.972,428 1.763,429 0.693,430 1.853,431 0.63,432 3.161,433 1.618,434 0.618,435 0.771,436 1.497,437 0.618,438 1.618,439 0.618,440 3,441 1.587,442 0.618,443 0.618,445 1.372,446 0.598,447 1.084,448 -0.142,449 2.682,450 0.659,451 -0.271,452 -0.345,454 -0.642,455 -0.25,456 1.03,457 -0.408,458 2.461,459 0.542,460 -0.414,461 -0.584,463 -1.036,464 -0.398,465 11.9,466 0.476,467 0.534,468 0.021,469 35.5,470 1.42,471 18.5,472 0.74,473 17,474 0.68,475 18.82,476 0.753,477 25.3,478 0.588,479 23.631,480 0.945,481 6.48,482 0.259,483 5.83,484 0.233,485 0.034,487 0.37,493 0.845,494 1.184,495 0.74,496 0.958,497 0.932,498 0.857,499 0.781,500 1.116,501 0.822,502 1.01,503 0.608,504 0.938,505 0.993,506 1.157,507 0.863,508 0.983,509 0.706,510 0.92,511 1.12,512 0.835,513 0.888,514 0.764,515 0.979,516 0.789,517 1.398,518 1.081,519 1.141,520 1.004,521 1.163,522 1.032,523 1.209,524 1.149,525 1.161,526 1.135,527 1.332,528 1.14,529 1.096,530 1.143,531 1.145,532 1.164,533 1.377,534 1.162,535 0.879,536 0.804,537 1.064,538 0.986,539 1.098,540 1.038,541 3.5,542 0.015,543 2.889,544 1.694,545 1.709,546 0.768,547 0.47,548 0.392,549 0.155,550 0.074,551 7095,552 16250,553 2.251,554 41.9,555 4,556 6,558 2,559 2,561 4,564 1.686,565 2.174,566 3.114,567 0.273,568 1,569 1,573 62.05,574 1.443,575 3.646,576 4.459,577 4.915,578 4.915,579 4.915,580 2.504,581 4.214,582 4.616,583 3.228,584 968.475,585 8.016,586 11174.6,588 1,590 1,591 233.329,592 1.159,593 4.603,594 0.121,595 0.002,596 0.069,597 0.04,598 0.042,599 0.021,600 0.013,601 0.013,602 0.007,603 0.005,604 0.334,605 0.33,606 0.88,607 0.372,608 117.367,609 0.041,610 -0.041,611 0.068,612 0.015,613 -0.025,614 0.04,615 0.145,616 -0.034,617 0.049,618 -0.038,619 0.169,620 -0.013,621 0.013,622 -0.159,623 0.102,624 -0.015,625 0.148,626 0.043,627 0.09,628 0.199,629 0.103,630 0.165,631 0.094,632 0.141,633 -0.303,634 -0.022,635 -0.211,636 -0.063,637 -0.207,638 -0.114,639 -0.182,640 -0.104,641 -0.238,642 -0.182,643 -0.207,644 -0.211,645 -0.102,646 -0.165,647 -0.172,648 -0.196,649 -0.199,650 -0.194,651 0.075,652 0.09,653 -0.019,654 0.007,655 0.022,656 -0.014,657 1.185,658 2.202,659 0.96,660 18.941,661 0.998,662 1.127,663 3.688,664 13.602,665 0.688,666 3.401,667 3.761,668 4.127,669 4.477,670 4.736,671 4.905,672 5.1,673 5.288,674 5.398,675 5.416,676 5.262,677 0.658,678 330.43,679 3.401,680 4.963,681 5.855,682 6.765,683 7.676,684 8.596,685 9.515,686 10.439,687 11.363,688 12.29,689 14,693 1,697 1,699 4,703 4,704 7,705 4,709 3,710 1,711 21,722 1,731 43,733 21,734 1,735 29,737 47,738 19,739 14,740 3,741 3,746 5,747 7,755 5,758 5,761 14,762 5,777 1,778 1,781 18,782 5,783 2,784 6,790 6,794 0.6,803 1,805 1,806 1,811 2,812 3,815 1,816 1,840 3,848 25,849 1,854 4,858 1,877 11.5,878 7.75,879 5.361,880 2.786,881 4.269,882 1.544,883 1.066,884 3.338,885 12.117,886 3.701,887 4.391,888 5.111,889 5.811,890 6.431,891 6.873,892 7.394,893 7.925,894 8.356,895 8.697,896 0.833,897 42,898 9.223,900 4.056,901 7.54,902 18.02,904 15.622,905 2.04,906 51,909 1,910 188.338,911 92.461,912 101.693,917 92.461,918 188.338,919 101.693,921 10.138,922 80.278,923 92.277,924 32.675,925 2.328,926 164.795,928 188.338,929 194.154,933 141.253,934 47.084,937 36.197,938 90.938,939 67.02,941 188.338,942 101.693,943 92.461,946 188.338,947 27.414,948 66.824,950 99.917,951 188.338,952 101.693,953 92.461,955 0.585,956 0.358,957 0.21,958 0.114,959 24,960 9,961 0.043,962 2,963 2,964 1.167,965 3.714,966 230.451,967 0.167,968 24,969 112.096,974 14.65,975 5.696,976 2.341,977 3.729,978 99.917,979 13.501,980 18.001,984 2.352,985 2.059,986 32.897,987 382.492,988 39.5,999 42.912,1000 48.481,1001 0.266,1002 0.672,1003 0.822,1004 0.906,1005 0.906,1006 0.906,1007 4.943,1008 1.381,1009 5.844,1010 4.098,1011 4.443,1012 5.078,1014 6.715,1015 4.376,1016 6.171,1017 1.334,1018 7.431,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.908,1025 7.502,1026 1.032,1027 9.124,1028 2.993,1029 6.08,1030 7.42,1032 10.897,1033 5.951,1034 8.878,1035 0.708,1036 10.881,1037 2.544,1038 6.538,1039 8.204,1041 12.781,1042 6.377,1043 10.291,1044 0.618,1045 12.681,1046 1.763,1047 8.04,1048 10.104,1050 15.469,1051 7.849,1052 11.732,1053 0.618,1054 14.509,1055 1.497,1056 8.901,1057 11.303,1059 17.703,1060 8.675,1061 13.194,1062 -0.271,1063 16.358,1064 1.372,1065 10.19,1066 12.981,1068 20.242,1069 9.932,1070 3.348,1071 -0.414,1072 18.223,1073 -0.642,1074 11.231,1075 14.369,1077 22.622,1078 10.938,1079 2.92,1080 12.147,1081 20.1,1082 -1.036,1083 12.444,1084 15.958,1086 25.118,1087 12.117,1088 2.674,1089 9.49,1090 21.987,1091 4.738,1092 13.566,1093 17.429,1095 27.561,1096 13.202,1097 2.376,1098 8.944,1099 23.883,1100 4.324,1101 14.757,1102 18.985,1104 30.048,1105 14.358,1106 1.996,1107 7.628,1108 25.785,1109 3.309,1110 15.916,1111 20.493,1113 32.519,1114 15.479,1115 1.618,1116 5.69,1117 27.693,1118 3.197,1119 17.104,1120 22.037,1122 35.007,1123 16.63,1124 1.579,1125 4.49,1126 29.606,1127 2.427,1128 18.281,1129 23.563,1131 37.49,1132 17.77,1133 6470,1134 9943,1135 20.285,1136 29.603,1137 44.239,1138 44.306,1139 44.939,1140 44.472,1141 44.406,1142 60.501,1144 132.373,1145 42.894,1146 5.668,1147 5.389,1148 6.738,1149 5.387,1150 5.348,1151 7.738,1153 19.686,1154 5.229,1155 6.03,1156 1.525,1157 1.528,1158 1.55,1159 1.534,1160 1.531,1161 2.086,1163 4.565,1164 1.479,1165 4.166,1166 4.209,1167 4.142,1168 4.057,1169 5.257,1170 4.07,1171 3.997,1172 4.035,1173 3.958,1174 3.876,1175 4.997,1176 3.894,1177 3.793,1178 3.85,1179 3.667,1180 3.677,1181 4.848,1182 3.668,1183 3.454,1184 3.505,1185 3.381,1186 3.347,1187 4.525,1188 3.347,1189 3.25,1190 3.34,1191 3.169,1192 2.988,1193 4.312,1194 3.024,1195 3.026,1196 3.11,1197 2.929,1198 2.857,1199 4.143,1200 2.866,1201 2.95,1202 3.032,1203 2.84,1204 2.743,1205 3.952,1206 2.755,1207 2.869,1208 2.979,1209 2.603,1210 2.671,1211 3.687,1212 2.635,1213 0.164,1214 0.117,1215 0.243,1216 0.149,1217 0.115,1218 4.766,1219 0.163,1220 3.389,1222 7.051,1223 0.419,1224 4.312,1225 0.111,1226 3.348,1227 4.738,1229 12.147,1230 3.229,1231 2.045,1232 2.023,1233 2.116,1234 2.123,1235 1.246,1236 2.123,1237 1.82,1238 1.779,1239 1.899,1240 2.01,1241 1.232,1242 1.976,1243 1.625,1244 1.569,1245 1.86,1246 1.817,1247 1.211,1248 1.808,1249 1.577,1250 1.507,1251 1.783,1252 1.751,1253 0.907,1254 1.793,1255 1.44,1256 1.392,1257 1.609,1258 1.582,1259 0.641,1260 1.595,1261 1.095,1262 1.035,1263 1.252,1264 1.349,1265 0.289,1266 1.332,1267 0.945,1268 0.876,1269 1.188,1270 1.206,1271 0.186,1272 1.207,1273 0.826,1274 0.749,1275 1.066,1276 1.111,1277 0.094,1278 1.108,1279 4.078,1281 5.425,1282 3.045,1283 6.978,1284 5.352,1285 8.628,1286 7.455,1287 10.33,1293 6.202,1295 4.761,1299 0.396,1305 28.289,1306 62.05,1307 156.784,1308 191.72,1309 211.329,1310 211.329,1311 211.329,1312 29.599,1313 7.849,1314 82.51,1315 82.51,1316 28,1317 12.795,1318 4.459,1319 3.524,1320 31.86,1321 77,1322 80,1323 0.202,1324 170.477,1325 274.1,1326 407.724,1327 26423,1329 16.803,1330 0.672,1331 0.55,1332 16.803,1333 13.761,1334 12.31,1335 0.424,1336 0.298,1337 8.555,1338 11.925,1339 8.418,1340 6.942,1341 12.31,1342 8.649,1343 11.135,1344 0.265,1345 0.157,1346 11.135,1347 6.6,1348 10.128,1349 0.166,1350 0.083,1351 10.128,1352 5.065,1353 9.1,1354 0.105,1355 0.044,1356 9.1,1357 3.824,1358 7.394,1359 0.065,1360 0.021,1361 7.394,1362 2.344,1363 0.305,1364 76.455,1365 0.222,1366 23.636,1367 0.597,1368 142,1369 353.538,1370 153.157,1371 353.518,1372 508.79,1373 334,1374 174,1375 403.758,1376 186.795,1377 409.407,1378 607.88,1379 388,1380 7.155}
{0 CHEMBL1241682,1 1.449,2 8.75,3 2.895,4 8.381,5 95.076,6 7.581,7 0.778,8 3.854,9 3.989,10 3.452,11 3.408,12 4.987,13 3.393,14 4.36,15 4.547,16 3.848,17 3.795,18 5.435,19 3.771,20 4.555,21 4.758,22 3.918,23 3.92,24 5.632,25 3.886,26 4.646,27 4.875,28 3.872,29 3.942,30 5.703,31 3.875,32 4.579,33 4.8,34 3.715,35 3.891,36 5.56,37 3.804,38 4.524,39 4.74,40 3.651,41 3.818,42 5.573,43 3.725,44 4.585,45 4.863,46 3.432,47 3.709,48 5.524,49 3.577,50 4.375,51 4.676,52 3.224,53 3.469,54 5.253,55 3.322,56 0.05,57 0.693,58 8.25,59 3.376,60 9.154,61 4.603,62 0.145,63 1.093,64 15.324,65 5.672,66 17.557,67 8.033,68 0.189,69 1.3,70 19.172,71 6.22,72 22.913,73 9,74 0.311,75 1.358,76 22.084,77 7.404,78 33.919,79 10.709,80 0.18,81 1.25,82 20.235,83 6.994,84 23.986,85 10.087,86 0.146,87 1.186,88 18.893,89 6.8,90 27.292,91 9.786,92 0.255,93 1.146,94 22.623,95 7.127,96 37.015,97 10.715,98 0.212,99 0.886,100 19.108,101 6.595,102 28.961,103 9.91,104 18,105 40,106 0.25,107 0.638,108 0.783,109 0.831,110 0.831,111 0.831,112 3.23,113 0.879,114 -4.69,115 -4.6,116 -4.33,119 42.9,120 3,127 1,142 5,143 3,146 3,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 11,177 1,178 1,180 1,183 9,185 1,186 1,187 8,195 8,198 2,199 9,201 3,202 3,204 1,207 9,209 1,212 7,217 2,220 6,222 2,223 1,224 9,229 4,232 6,234 4,236 1,237 3,242 1,245 4,247 1,249 2,250 3,252 1,253 1,255 1,258 3,260 1,263 3,271 2,275 758,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 13.687,282 11.912,283 9.195,284 16.411,285 13.321,286 13.321,287 13.321,288 13.321,289 13.321,290 9.634,291 8.971,292 4.348,293 13.849,294 3.944,295 1.693,296 0.854,297 0.578,298 0.578,299 0.578,300 3.925,303 1,304 1,305 1,306 460,307 2.739,310 43.524,311 159.84,314 83.676,315 88.462,318 1.375,319 16.583,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 210,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.426,342 2.974,343 6.262,344 3.927,345 2.948,346 4.36,348 9.449,349 2.883,350 3.877,351 2.681,352 6.082,353 3.529,354 2.57,355 3.353,357 8.608,358 2.462,359 3.767,360 2.49,361 5.719,362 3.366,363 2.407,364 3.19,366 7.488,367 2.307,368 3.475,369 2.222,370 4.962,371 3.054,372 2.08,373 2.849,375 5.803,376 2.023,377 3.118,378 1.819,379 4.819,380 2.683,381 1.742,382 2.427,384 4.818,385 1.636,386 3.03,387 1.618,388 4.495,389 2.603,390 1.618,391 2.249,393 4.416,394 1.592,395 2.981,396 1.507,397 4.377,398 2.445,399 1.501,400 2.127,402 4.065,403 1.412,404 2.532,405 1.067,406 3.861,407 2.011,408 1.064,409 1.546,411 2.761,412 1.005,413 2.214,414 0.856,415 3.492,416 1.795,417 0.827,418 1.097,420 2.067,421 0.799,422 2.11,423 0.721,424 3.274,425 1.676,426 0.694,427 0.985,428 1.685,429 0.68,430 1.272,431 0.069,432 2.724,433 0.865,434 -0.108,435 -0.141,436 -0.26,437 -0.105,438 1.056,439 -0.165,440 2.432,441 0.612,442 -0.302,443 -0.389,445 -0.705,446 -0.276,447 0.882,448 -0.618,449 2.384,450 0.368,451 -0.618,452 -0.927,454 -1.82,455 -0.607,456 0.69,457 -0.622,458 2.27,459 0.246,460 -0.715,461 -0.945,463 -2,464 -0.684,465 11.4,466 0.475,467 0.716,468 0.03,469 34.5,470 1.438,471 18.5,472 0.771,473 16,474 0.667,475 18.152,476 0.756,477 24.6,478 0.586,479 23.856,480 0.994,481 6.554,482 0.273,483 4.988,484 0.208,485 0.167,487 0.43,493 0.861,494 1.243,495 0.765,496 1.005,497 1.104,498 0.895,499 0.761,500 1.083,501 0.656,502 0.863,503 0.571,504 0.766,505 1.297,506 1.142,507 0.943,508 0.914,509 0.958,510 0.885,511 1,512 0.898,513 0.969,514 0.914,515 0.981,516 0.933,517 1.222,518 1.087,519 1.158,520 1.091,521 1.006,522 1.111,523 1.037,524 1.267,525 1.175,526 1.286,527 1.17,528 1.256,529 1.162,530 0.943,531 1.122,532 1,533 1.479,534 1.046,535 0.522,536 0.796,537 0.773,538 0.889,539 0.577,540 0.87,541 5,542 0.083,543 3.111,544 2.104,545 2.14,546 0.827,547 0.564,548 0.436,549 0.215,550 0.178,551 5894,552 14295,553 2.11,554 42.9,556 6,558 1,559 2,560 3,561 6,564 1.673,565 1.946,566 3.102,567 0.296,568 1,569 1,571 1,573 60.85,574 1.449,575 3.7,576 4.538,577 4.815,578 4.815,579 4.815,580 2.555,581 4.418,582 4.557,583 3.236,584 893.149,585 7.888,586 9993.54,587 1,588 1,590 1,591 226.477,592 1.483,593 4.504,594 0.185,595 0.012,596 0.078,597 0.05,598 0.055,599 0.025,600 0.019,601 0.019,602 0.011,603 0.014,604 0.468,605 0.33,606 1,607 0.813,608 111.361,609 0.042,610 -0.078,611 0.061,612 -0.013,613 -0.192,614 0.02,615 0.22,616 0.003,617 0.248,618 0.116,619 0.243,620 0.173,621 -0.155,622 -0.047,623 -0.016,624 0.023,625 -0.035,626 0.023,627 0.092,628 0.141,629 -0.01,630 0.036,631 0.055,632 0.005,633 -0.246,634 -0.06,635 -0.223,636 -0.119,637 -0.135,638 -0.159,639 -0.1,640 -0.248,641 -0.247,642 -0.309,643 -0.098,644 -0.3,645 -0.126,646 -0.012,647 -0.102,648 -0.039,649 -0.26,650 -0.062,651 0.32,652 0.047,653 0.275,654 0.123,655 0.342,656 0.18,657 1.218,658 2.124,659 0.792,660 17.667,661 0.998,662 1.131,663 3.456,664 11.942,665 0.681,666 3.332,667 3.714,668 4.043,669 4.382,670 4.673,671 4.796,672 4.92,673 5.088,674 5.182,675 5.231,676 5.231,677 0.65,678 318.42,679 3.332,680 4.905,681 5.79,682 6.706,683 7.613,684 8.534,685 9.45,686 10.374,687 11.294,688 12.218,689 14.3,693 1,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 1,731 42,733 21,734 1,735 27,737 45,738 18,739 14,740 3,741 3,746 4,747 6,752 3,758 1,761 14,762 4,777 1,778 1,781 18,782 5,783 2,784 6,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 3,848 24,849 1,858 1,877 12.333,878 8.667,879 5.111,880 2.575,881 4.314,882 1.569,883 1.025,884 3.38,885 11.9,886 3.651,887 4.379,888 5.096,889 5.803,890 6.437,891 6.868,892 7.36,893 7.894,894 8.326,895 8.691,896 0.833,897 42,898 8.815,900 3.771,901 7.611,902 16.943,904 14.067,905 2.111,906 50.667,909 1,910 188.338,911 102.508,912 101.693,917 102.508,918 188.338,919 101.693,920 26.476,922 80.278,923 80.506,924 26.384,925 2.328,926 176.567,928 188.338,929 204.201,933 117.711,934 70.627,937 46.244,938 90.938,939 67.02,941 188.338,942 101.693,943 102.508,946 188.338,947 20.032,948 84.252,950 99.917,951 188.338,952 101.693,953 102.508,955 0.597,956 0.355,957 0.202,958 0.12,959 22,960 10,961 0.044,962 2,963 2,964 1.211,965 3.496,966 211.577,967 0.211,968 19,969 108.039,974 14.888,975 5.448,976 2.407,977 3.594,978 99.917,979 11.679,980 17.828,984 3.241,985 1.889,986 32.897,987 392.539,988 37.5,999 41.912,1000 47.481,1001 0.269,1002 0.686,1003 0.842,1004 0.893,1005 0.893,1006 0.893,1007 4.9,1008 1.501,1009 5.808,1010 4.416,1011 4.394,1012 5.066,1014 6.688,1015 4.322,1016 6.161,1017 1.064,1018 7.41,1019 4.065,1020 4.111,1021 5.047,1023 7.716,1024 4.011,1025 7.507,1026 0.827,1027 9.112,1028 2.761,1029 6.052,1030 7.441,1032 10.864,1033 5.914,1034 8.893,1035 0.694,1036 10.872,1037 2.067,1038 6.567,1039 8.254,1041 12.736,1042 6.399,1043 10.311,1044 -0.108,1045 12.67,1046 1.685,1047 8.019,1048 10.133,1050 15.421,1051 7.818,1052 11.754,1053 -0.302,1054 14.494,1055 -0.26,1056 8.899,1057 11.339,1059 17.648,1060 8.666,1061 13.217,1062 -0.618,1063 16.338,1064 -0.705,1065 10.169,1066 13.009,1068 20.186,1069 9.904,1070 3.339,1071 -0.715,1072 18.199,1073 -1.82,1074 11.216,1075 14.399,1077 22.563,1078 10.917,1079 2.948,1080 12.088,1081 20.072,1082 -2,1083 12.422,1084 15.985,1086 25.057,1087 12.09,1088 2.57,1089 9.449,1090 21.955,1091 4.737,1092 13.545,1093 17.457,1095 27.497,1096 13.178,1097 2.407,1098 8.608,1099 23.847,1100 4.36,1101 14.732,1102 19.011,1104 29.982,1105 14.331,1106 2.08,1107 7.488,1108 25.747,1109 3.353,1110 15.891,1111 20.52,1113 32.449,1114 15.454,1115 1.742,1116 5.803,1117 27.653,1118 3.19,1119 17.075,1120 22.063,1122 34.934,1123 16.604,1124 1.618,1125 4.818,1126 29.565,1127 2.849,1128 18.251,1129 23.588,1131 37.413,1132 17.744,1133 5640,1134 8925,1135 17.918,1136 28.603,1137 42.027,1138 41.486,1139 43.581,1140 41.6,1141 41.583,1142 57.839,1144 126.496,1145 40.044,1146 5.431,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 12.207,1156 1.557,1157 1.537,1158 1.614,1159 1.541,1160 1.54,1161 2.142,1163 4.685,1164 1.483,1165 4.159,1166 4.201,1167 4.138,1168 4.057,1169 5.258,1170 4.069,1171 3.996,1172 4.036,1173 3.964,1174 3.863,1175 4.984,1176 3.887,1177 3.58,1178 3.657,1179 3.445,1180 3.441,1181 4.849,1182 3.431,1183 3.518,1184 3.569,1185 3.434,1186 3.387,1187 4.526,1188 3.386,1189 3.179,1190 3.268,1191 3.071,1192 2.97,1193 4.32,1194 2.984,1195 3.086,1196 3.16,1197 2.939,1198 2.948,1199 4.051,1200 2.942,1201 3,1202 3.107,1203 2.878,1204 2.698,1205 3.958,1206 2.734,1207 2.874,1208 3.009,1209 2.667,1210 2.62,1211 3.71,1212 2.625,1213 0.176,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.762,1219 0.175,1220 3.376,1222 7.039,1223 0.448,1224 4.303,1225 0.119,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 2.052,1232 2.029,1233 2.123,1234 2.13,1235 1.249,1236 2.129,1237 1.827,1238 1.784,1239 1.949,1240 2.021,1241 1.145,1242 1.993,1243 1.657,1244 1.595,1245 1.822,1246 1.851,1247 0.924,1248 1.849,1249 1.506,1250 1.452,1251 1.706,1252 1.659,1253 0.771,1254 1.681,1255 1.146,1256 1.074,1257 1.425,1258 1.396,1259 0.483,1260 1.39,1261 1.088,1262 1.027,1263 1.417,1264 1.298,1265 0.469,1266 1.322,1267 0.934,1268 0.804,1269 1.253,1270 1.239,1271 0.274,1272 1.308,1273 0.886,1274 0.789,1275 1.162,1276 1.206,1277 0.08,1278 1.201,1279 4.007,1281 5.371,1282 2.398,1283 6.934,1284 4.844,1285 8.592,1286 7.081,1287 10.3,1289 6.131,1293 6.124,1299 0.181,1305 27.289,1306 60.85,1307 155.384,1308 190.603,1309 202.213,1310 202.213,1311 202.213,1312 29.845,1313 7.586,1314 82.51,1315 82.51,1316 23,1317 12.725,1318 4.459,1319 3.524,1320 33.701,1321 74,1322 84,1323 0.227,1324 168.278,1325 269.16,1326 402.359,1327 18888,1329 16.845,1330 0.702,1331 0.577,1332 16.845,1333 13.855,1334 11.542,1335 0.427,1336 0.293,1337 7.815,1338 11.15,1339 7.515,1340 6.299,1341 11.542,1342 7.908,1343 10.968,1344 0.274,1345 0.155,1346 10.968,1347 6.205,1348 9.315,1349 0.166,1350 0.073,1351 9.315,1352 4.109,1353 8.19,1354 0.104,1355 0.037,1356 8.19,1357 2.932,1358 7.068,1359 0.067,1360 0.02,1361 7.068,1362 2.102,1363 0.343,1364 71.801,1365 0.236,1366 22.807,1367 0.664,1368 134,1369 347.538,1370 145.49,1371 348.752,1372 500.04,1373 328,1374 163,1375 398.11,1376 175.628,1377 405.395,1378 597.96,1379 382,1380 6.335}
{0 CHEMBL1241683,1 1.603,2 8.75,3 3.486,4 12.152,5 96.35,6 8.688,7 0.778,8 3.799,9 3.923,10 3.505,11 3.378,12 4.97,13 3.37,14 4.295,15 4.463,16 3.929,17 3.768,18 5.446,19 3.752,20 4.498,21 4.688,22 3.986,23 3.894,24 5.614,25 3.861,26 4.571,27 4.787,28 3.943,29 3.899,30 5.689,31 3.842,32 4.498,33 4.704,34 3.798,35 3.846,36 5.546,37 3.768,38 4.439,39 4.638,40 3.695,41 3.766,42 5.545,43 3.684,44 4.501,45 4.763,46 3.485,47 3.665,48 5.494,49 3.545,50 4.346,51 4.645,52 3.371,53 3.446,54 5.278,55 3.299,56 0.068,57 0.643,58 6.052,59 2.964,60 8.341,61 3.692,62 0.204,63 1.01,64 12.763,65 5.083,66 20.153,67 6.628,68 0.235,69 1.195,70 17.342,71 6.106,72 21.75,73 7.87,74 0.361,75 1.248,76 20.007,77 6.813,78 34.948,79 8.953,80 0.246,81 1.138,82 17.862,83 6.361,84 25.438,85 8.215,86 0.217,87 1.079,88 17.051,89 6.17,90 27.437,91 8.005,92 0.301,93 1.077,94 19.838,95 6.684,96 37.135,97 9.187,98 0.304,99 0.836,100 21.077,101 6.843,102 34.326,103 9.877,104 18,105 40,106 0.281,107 0.667,108 0.785,109 0.837,110 0.837,111 0.837,112 3.23,113 0.886,114 -4.95,115 -4.86,116 -4.56,119 43.6,120 2,127 1,142 5,143 3,146 2,147 2,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 11,177 1,178 1,180 1,183 9,185 1,186 1,187 8,195 8,198 2,199 9,201 3,202 3,204 1,207 9,209 1,212 7,217 2,220 6,222 2,223 1,224 9,229 4,232 6,234 4,236 1,237 3,242 1,245 4,247 1,249 2,250 3,252 1,253 1,255 1,258 3,260 1,263 3,271 2,275 758,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 13.687,282 11.088,283 9.195,284 16.555,285 13.321,286 13.321,287 13.321,288 13.321,289 13.321,290 9.634,291 8.141,292 4.348,293 14.137,294 3.682,295 1.475,296 0.798,297 0.5,298 0.5,299 0.5,300 3.925,302 1,303 1,304 1,305 1,306 460,307 2.739,310 43.524,311 159.84,314 83.676,315 88.462,318 1.375,319 19.237,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.333,331 210,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.426,342 3.063,343 6.262,344 3.919,345 2.948,346 4.36,348 9.449,349 2.864,350 3.877,351 2.747,352 6.082,353 3.523,354 2.57,355 3.353,357 8.608,358 2.446,359 3.767,360 2.618,361 5.719,362 3.353,363 2.407,364 3.19,366 7.488,367 2.28,368 3.475,369 2.335,370 4.962,371 2.949,372 2.08,373 2.849,375 5.803,376 1.722,377 3.118,378 1.82,379 4.819,380 2.683,381 1.742,382 2.427,384 4.818,385 1.633,386 3.03,387 1.618,388 4.495,389 2.603,390 1.618,391 2.249,393 4.416,394 1.59,395 2.981,396 1.513,397 4.377,398 2.44,399 1.501,400 2.127,402 4.065,403 1.399,404 2.532,405 1.069,406 3.861,407 2.011,408 1.064,409 1.546,411 2.761,412 1.004,413 2.214,414 0.856,415 3.492,416 1.795,417 0.827,418 1.097,420 2.067,421 0.799,422 2.11,423 0.772,424 3.274,425 1.661,426 0.694,427 0.985,428 1.685,429 0.66,430 1.272,431 0.316,432 2.724,433 0.778,434 -0.108,435 -0.141,436 -0.26,437 -0.081,438 1.056,439 -0.154,440 2.432,441 0.602,442 -0.302,443 -0.389,445 -0.705,446 -0.27,447 0.882,448 -0.535,449 2.384,450 0.367,451 -0.618,452 -0.927,454 -1.82,455 -0.577,456 0.69,457 -0.618,458 2.27,459 0.187,460 -0.715,461 -0.945,463 -2,464 -0.61,465 11.614,466 0.484,467 0.716,468 0.03,469 34.75,470 1.448,471 18.5,472 0.771,473 16.25,474 0.677,475 18.062,476 0.753,477 24.386,478 0.625,479 23.945,480 0.998,481 6.583,482 0.274,483 4.959,484 0.207,485 0.182,487 0.422,493 0.775,494 1.224,495 0.578,496 0.879,497 0.962,498 0.809,499 0.65,500 1.074,501 0.553,502 0.824,503 0.513,504 0.747,505 1.087,506 1.146,507 0.804,508 0.875,509 0.825,510 0.851,511 0.969,512 0.875,513 0.843,514 0.845,515 0.945,516 0.896,517 1.164,518 1.081,519 0.994,520 1.028,521 0.968,522 1.092,523 1.057,524 1.25,525 1.082,526 1.254,527 1.155,528 1.259,529 0.983,530 0.982,531 0.826,532 0.98,533 1.293,534 1.089,535 0.438,536 0.737,537 0.604,538 0.818,539 0.507,540 0.83,541 5,542 0.083,543 3.111,544 2.104,545 2.14,546 0.827,547 0.564,548 0.436,549 0.215,550 0.178,551 5894,552 17625,553 2.11,554 38.5,556 6,558 1,559 2,561 6,564 1.673,565 1.946,566 3.102,567 0.337,569 1,571 1,573 62.531,574 1.603,575 3.81,576 4.487,577 4.785,578 4.785,579 4.785,580 2.555,581 4.418,582 4.557,583 3.236,584 893.149,585 7.888,586 9993.54,587 1,588 1,589 1,590 1,591 206.131,592 1.483,593 4.504,594 0.185,595 0.012,596 0.078,597 0.05,598 0.055,599 0.025,600 0.019,601 0.019,602 0.011,603 0.014,604 0.468,605 0.33,606 1,607 0.813,608 111.361,609 -0.015,610 -0.077,611 0.022,612 -0.003,613 -0.193,614 0.021,615 0.207,616 0.014,617 0.164,618 0.079,619 0.231,620 0.136,621 -0.141,622 -0.082,623 -0.008,624 0.032,625 -0.01,626 0.043,627 0.005,628 0.164,629 -0.021,630 0.071,631 0.003,632 0.024,633 -0.261,634 -0.056,635 -0.177,636 -0.098,637 -0.136,638 -0.164,639 -0.171,640 -0.234,641 -0.259,642 -0.322,643 -0.162,644 -0.331,645 -0.123,646 -0.03,647 -0.059,648 -0.039,649 -0.265,650 -0.092,651 0.377,652 0.087,653 0.354,654 0.228,655 0.385,656 0.297,657 1.24,658 2.106,659 0.792,660 17.667,661 1.009,662 1.128,663 3.724,664 13.866,665 0.71,666 3.332,667 3.714,668 4.043,669 4.382,670 4.673,671 4.796,672 4.92,673 5.088,674 5.182,675 5.231,676 5.231,677 0.682,678 338.83,679 3.332,680 4.905,681 5.79,682 6.706,683 7.613,684 8.534,685 9.45,686 10.374,687 11.294,688 12.218,689 15.4,693 1,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 1,730 1,731 39,733 21,734 1,735 27,737 42,738 17,739 14,740 3,741 3,746 4,747 6,748 1,752 2,758 1,761 14,762 3,777 1,778 1,781 15,782 5,783 2,784 7,785 1,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,845 1,848 24,849 1,858 1,869 1,877 12.333,878 7.81,879 5.111,880 2.36,881 4.314,882 1.569,883 1.029,884 3.539,885 11.9,886 3.651,887 4.379,888 5.096,889 5.803,890 6.437,891 6.868,892 7.36,893 7.894,894 8.326,895 8.691,896 0.833,897 42,898 8.794,900 3.789,901 7.699,902 16.729,904 13.901,905 2.199,906 52.778,910 153.024,911 93.998,912 101.693,913 39.149,917 93.998,918 192.173,919 101.693,920 17.65,922 80.278,923 80.506,924 23.628,925 44.548,926 141.253,928 153.024,929 195.691,931 39.149,933 82.398,934 70.627,937 34.662,938 94.01,939 67.02,940 39.149,941 153.024,942 101.693,943 133.146,946 153.024,947 20.347,948 75.427,950 139.065,951 153.024,952 101.693,953 133.146,955 0.597,956 0.355,957 0.202,958 0.12,959 22,960 10,961 0.048,962 2,963 2,964 1.211,965 3.496,966 211.577,967 0.211,968 19,969 108.039,974 15.156,975 5.603,976 2.49,977 3.33,978 99.917,979 11.096,980 17.533,984 2.616,985 1.868,986 32.897,987 387.864,988 37.5,999 39.353,1000 44.01,1001 0.303,1002 0.721,1003 0.849,1004 0.905,1005 0.905,1006 0.905,1007 4.9,1008 1.501,1009 5.808,1010 4.416,1011 4.394,1012 5.066,1014 6.688,1015 4.291,1016 6.161,1017 1.064,1018 7.41,1019 4.065,1020 4.111,1021 5.047,1023 7.716,1024 3.95,1025 7.507,1026 0.827,1027 9.112,1028 2.761,1029 6.052,1030 7.441,1032 10.864,1033 5.874,1034 8.893,1035 0.694,1036 10.872,1037 2.067,1038 6.567,1039 8.254,1041 12.736,1042 6.35,1043 10.311,1044 -0.108,1045 12.67,1046 1.685,1047 8.019,1048 10.133,1050 15.421,1051 7.781,1052 11.754,1053 -0.302,1054 14.494,1055 -0.26,1056 8.899,1057 11.339,1059 17.648,1060 8.628,1061 13.217,1062 -0.618,1063 16.338,1064 -0.705,1065 10.169,1066 13.009,1068 20.186,1069 9.873,1070 3.339,1071 -0.715,1072 18.199,1073 -1.82,1074 11.216,1075 14.399,1077 22.563,1078 10.888,1079 2.948,1080 12.088,1081 20.072,1082 -2,1083 12.422,1084 15.985,1086 25.057,1087 12.064,1088 2.57,1089 9.449,1090 21.955,1091 4.737,1092 13.545,1093 17.457,1095 27.497,1096 13.154,1097 2.407,1098 8.608,1099 23.847,1100 4.36,1101 14.732,1102 19.011,1104 29.982,1105 14.309,1106 2.08,1107 7.488,1108 25.747,1109 3.353,1110 15.891,1111 20.52,1113 32.449,1114 15.433,1115 1.742,1116 5.803,1117 27.653,1118 3.19,1119 17.075,1120 22.063,1122 34.934,1123 16.584,1124 1.618,1125 4.818,1126 29.565,1127 2.849,1128 18.251,1129 23.588,1131 37.413,1132 17.725,1133 5640,1134 9897,1135 17.918,1136 27.699,1137 42.027,1138 42.109,1139 43.581,1140 41.782,1141 41.583,1142 57.839,1144 126.496,1145 39.24,1146 5.431,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 12.207,1156 1.557,1157 1.56,1158 1.614,1159 1.547,1160 1.54,1161 2.142,1163 4.685,1164 1.453,1165 4.157,1166 4.198,1167 4.152,1168 4.055,1169 5.259,1170 4.066,1171 3.99,1172 4.026,1173 4.019,1174 3.86,1175 5.084,1176 3.883,1177 3.578,1178 3.656,1179 3.643,1180 3.422,1181 4.865,1182 3.411,1183 3.463,1184 3.5,1185 3.445,1186 3.36,1187 4.616,1188 3.36,1189 3.158,1190 3.245,1191 3.157,1192 2.951,1193 4.469,1194 2.971,1195 3.007,1196 3.107,1197 3.008,1198 2.839,1199 4.104,1200 2.84,1201 2.957,1202 3.021,1203 2.883,1204 2.683,1205 4.003,1206 2.72,1207 2.874,1208 3.009,1209 2.725,1210 2.618,1211 3.866,1212 2.57,1213 0.176,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.762,1219 0.175,1220 3.376,1222 7.039,1223 0.448,1224 4.303,1225 0.119,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 2.043,1232 2.023,1233 2.104,1234 2.117,1235 1.237,1236 2.117,1237 1.824,1238 1.781,1239 1.948,1240 2.019,1241 1.145,1242 1.992,1243 1.646,1244 1.584,1245 1.802,1246 1.844,1247 0.896,1248 1.841,1249 1.439,1250 1.397,1251 1.571,1252 1.573,1253 0.624,1254 1.582,1255 1.099,1256 1.037,1257 1.417,1258 1.362,1259 0.469,1260 1.343,1261 0.939,1262 0.877,1263 1.254,1264 1.239,1265 0.277,1266 1.308,1267 0.934,1268 0.804,1269 1.173,1270 1.206,1271 0.128,1272 1.205,1273 0.819,1274 0.748,1275 1.013,1276 1.1,1277 0.033,1278 1.092,1279 4.007,1281 5.371,1282 2.398,1283 6.934,1284 4.844,1285 8.592,1286 7.081,1287 10.3,1289 4.113,1290 5.953,1293 6.106,1299 0.163,1305 26.59,1306 62.531,1307 148.605,1308 175.011,1309 186.621,1310 186.621,1311 186.621,1312 30.78,1313 7.586,1314 82.51,1315 82.51,1316 23,1317 12.725,1318 4.459,1319 3.524,1320 33.701,1321 74,1322 84,1323 0.227,1324 167.019,1325 267.07,1326 399.286,1327 18888,1328 2.6,1329 16.845,1330 0.702,1331 0.583,1332 17.345,1333 13.989,1334 11.542,1335 0.427,1336 0.295,1337 7.534,1338 10.86,1339 7.269,1340 6.05,1341 11.83,1342 7.975,1343 10.968,1344 0.274,1345 0.157,1346 11.377,1347 6.273,1348 9.315,1349 0.166,1350 0.074,1351 9.577,1352 4.146,1353 8.19,1354 0.104,1355 0.037,1356 8.425,1357 2.96,1358 7.068,1359 0.067,1360 0.02,1361 7.33,1362 2.127,1363 0.343,1364 74.977,1365 0.236,1366 22.807,1367 0.664,1368 134,1369 373.741,1370 161.659,1371 402.283,1372 559.08,1373 376,1374 163,1375 414.973,1376 185.387,1377 430.896,1378 637.5,1379 406,1380 6.097}
{0 CHEMBL1241684,1 1.703,2 8.75,3 3.339,4 11.147,5 98.316,6 8.652,7 0.741,8 3.796,9 3.909,10 3.545,11 3.42,12 4.988,13 3.386,14 4.291,15 4.447,16 3.97,17 3.834,18 5.415,19 3.78,20 4.472,21 4.645,22 4.028,23 3.923,24 5.603,25 3.857,26 4.572,27 4.776,28 4.009,29 3.924,30 5.716,31 3.842,32 4.446,33 4.635,34 3.908,35 3.833,36 5.539,37 3.745,38 4.382,39 4.552,40 3.841,41 3.795,42 5.524,43 3.688,44 4.425,45 4.658,46 3.438,47 3.677,48 5.428,49 3.536,50 4.264,51 4.534,52 3.222,53 3.411,54 5.283,55 3.298,56 0.066,57 0.636,58 6.511,59 3.324,60 9.097,61 3.822,62 0.183,63 1.029,64 13.417,65 5.908,66 21.357,67 6.902,68 0.206,69 1.224,70 18.72,71 7.022,72 19.146,73 8.07,74 0.371,75 1.314,76 22.615,77 7.973,78 40.473,79 9.331,80 0.252,81 1.161,82 18.04,83 6.375,84 27.04,85 7.564,86 0.186,87 1.092,88 19.752,89 7.281,90 23.154,91 7.773,92 0.262,93 1.085,94 24.332,95 7.716,96 31.31,97 8.877,98 0.24,99 0.84,100 16.51,101 5.85,102 32.321,103 8.106,104 21,105 40,106 0.297,107 0.694,108 0.8,109 0.835,110 0.835,111 0.835,112 3.23,113 0.931,114 -4.98,115 -4.89,116 -4.58,119 43.6,120 2,127 1,142 4,143 3,146 1,147 1,148 1,152 2,155 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 1,183 9,185 1,186 1,187 6,195 8,198 2,199 7,201 3,202 3,207 5,212 8,217 2,220 2,222 2,224 9,229 3,232 6,234 3,237 6,242 2,245 2,247 2,249 1,250 5,255 2,258 4,260 2,262 1,271 4,275 764,276 16.248,277 16.248,278 16.248,279 16.248,280 16.248,281 13.979,282 10.132,283 9.255,284 16.657,285 13.265,286 13.265,287 13.265,288 13.265,289 13.265,290 9.626,291 7.5,292 4.302,293 13.954,294 3.582,295 1.312,296 0.705,297 0.5,298 0.5,299 0.5,300 3.924,303 1,304 1,305 1,306 458,307 2.915,310 85.817,311 112.858,314 166.992,318 1.375,319 20.855,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 210,332 4.771,333 3.382,334 7.042,335 4.302,336 3.347,337 4.749,339 12.1,340 3.195,341 4.468,342 3.073,343 6.336,344 3.946,345 2.995,346 4.411,348 9.734,349 2.855,350 3.857,351 2.875,352 6.058,353 3.509,354 2.553,355 3.317,357 8.49,358 2.432,359 3.772,360 2.648,361 5.675,362 3.368,363 2.407,364 3.193,366 7.384,367 2.305,368 3.527,369 2.319,370 5.219,371 3.093,372 2.125,373 2.905,375 6.439,376 2.04,377 3.037,378 1.853,379 4.819,380 2.681,381 1.741,382 2.303,384 4.817,385 1.633,386 3.021,387 1.802,388 4.428,389 2.499,390 1.535,391 2.162,393 4.316,394 1.468,395 2.902,396 1.535,397 4.388,398 2.331,399 1.419,400 2.078,402 3.865,403 1.283,404 2.484,405 1.403,406 3.855,407 1.963,408 1.02,409 1.466,411 2.721,412 0.955,413 2.309,414 1.012,415 3.482,416 1.742,417 0.787,418 1.039,420 1.997,421 0.739,422 2.104,423 0.812,424 3.183,425 1.656,426 0.626,427 0.945,428 1.331,429 0.63,430 1.87,431 0.444,432 2.796,433 1.253,434 0.263,435 0.423,436 0.466,437 0.257,438 1.06,439 -0.156,440 2.604,441 0.622,442 -0.29,443 -0.37,445 -0.678,446 -0.264,447 0.853,448 -0.497,449 2.417,450 0.368,451 -0.621,452 -0.889,454 -1.594,455 -0.602,456 0.671,457 -0.734,458 2.252,459 0.155,460 -0.789,461 -1,463 -2,464 -0.74,465 11.667,466 0.486,467 0.678,468 0.028,469 33.75,470 1.406,471 18,472 0.75,473 15.75,474 0.656,475 18.845,476 0.785,477 24.333,478 0.624,479 22.972,480 0.957,481 6.34,482 0.264,483 5.24,484 0.218,485 0.149,487 0.42,493 0.725,494 1.068,495 0.689,496 0.826,497 0.692,498 0.797,499 0.721,500 0.901,501 0.703,502 0.739,503 0.599,504 0.71,505 0.918,506 1.151,507 1.01,508 1.028,509 0.587,510 0.918,511 0.969,512 0.887,513 1.007,514 0.928,515 0.922,516 0.89,517 1.115,518 1.097,519 1.016,520 1.022,521 0.892,522 1.034,523 1.029,524 1.357,525 1.436,526 1.448,527 0.969,528 1.245,529 1.016,530 1.091,531 1.595,532 1.359,533 0.755,534 1.218,535 0.722,536 0.858,537 0.653,538 0.754,539 0.65,540 0.925,541 5,542 0.054,543 2.889,544 2.333,545 1.972,546 0.736,547 0.727,548 0.317,549 0.24,550 0.164,551 5835,552 17134,553 2.11,554 38.5,556 5,558 2,559 2,561 6,564 1.674,565 1.946,566 3.105,567 0.337,568 1,569 1,573 66.431,574 1.703,575 3.974,576 4.58,577 4.785,578 4.785,579 4.785,580 2.555,581 4.418,582 4.555,583 3.238,584 893.594,585 7.888,586 10018,587 1,588 1,590 1,591 206.131,592 1.483,593 4.504,594 0.185,595 0.008,596 0.072,597 0.057,598 0.051,599 0.022,600 0.023,601 0.014,602 0.013,603 0.013,604 0.457,605 0.33,606 1,607 0.921,608 111.397,609 -0.009,610 0.022,611 0.055,612 0.066,613 -0.086,614 0.048,615 0.08,616 0.159,617 0.185,618 0.217,619 0.035,620 0.196,621 -0.075,622 -0.081,623 -0.009,624 -0.027,625 0.024,626 0.001,627 0.041,628 0.149,629 0.027,630 0.067,631 -0.013,632 0.056,633 -0.181,634 -0.055,635 -0.038,636 -0.05,637 -0.101,638 -0.108,639 -0.139,640 -0.302,641 -0.24,642 -0.312,643 -0.103,644 -0.288,645 -0.219,646 -0.082,647 -0.409,648 -0.262,649 -0.112,650 -0.2,651 0.105,652 0.007,653 0.134,654 0.079,655 0.129,656 0.113,657 1.243,658 3.979,659 0.75,660 17.931,661 1.008,662 1.12,663 3.754,664 14.094,665 0.716,666 3.332,667 3.714,668 4.06,669 4.407,670 4.673,671 4.844,672 4.99,673 5.17,674 5.198,675 5.273,676 5.241,677 0.683,678 337.44,679 3.332,680 4.905,681 5.796,682 6.715,683 7.63,684 8.557,685 9.48,686 10.409,687 11.336,688 12.268,689 12.8,693 1,697 1,699 3,703 4,704 5,705 3,708 1,709 4,710 1,711 20,712 1,722 1,731 39,733 21,734 1,735 27,737 42,738 17,739 13,740 3,741 3,742 1,746 4,747 6,752 2,758 1,761 14,762 3,766 1,771 1,773 1,777 1,778 1,781 15,782 5,783 2,784 7,785 1,790 5,794 0.5,795 1,803 1,806 1,811 2,812 2,815 2,840 2,842 1,844 2,848 24,849 1,858 1,865 1,870 2.6,873 1,877 12.333,878 7.8,879 5.194,880 2.336,881 4.151,882 1.546,883 1.031,884 3.575,885 11.755,886 3.664,887 4.376,888 5.112,889 5.825,890 6.421,891 6.913,892 7.426,893 7.959,894 8.289,895 8.731,896 0.833,897 41,898 8.816,900 3.82,901 7.771,902 16.775,904 14.084,905 2.271,906 54.5,910 153.024,911 124.112,912 84.908,914 25.145,916 31.278,917 92.834,918 178.169,919 84.908,920 17.65,922 70.802,923 112.061,924 21.483,925 4.432,926 160.76,928 153.024,929 177.742,930 25.145,931 31.278,933 82.398,934 95.772,937 32.518,938 83.566,939 61.658,940 31.278,941 153.024,942 110.053,943 124.112,946 153.024,947 48.513,948 77.375,950 108.276,951 153.024,952 110.053,953 124.112,955 0.593,956 0.36,957 0.204,958 0.117,959 22,960 10,961 0.071,962 3,963 2,964 1.222,965 3.5,966 211.789,967 0.222,968 18,969 108.039,970 1,974 15.218,975 5.639,976 2.418,977 3.618,978 108.276,979 9.144,980 13.21,983 1.615,984 2.852,985 1.865,986 32.897,987 387.189,988 38,993 10.979,995 0.853,999 39.331,1000 43.697,1001 0.322,1002 0.752,1003 0.867,1004 0.905,1005 0.905,1006 0.905,1007 4.913,1008 1.419,1009 5.814,1010 4.316,1011 4.394,1012 5.063,1014 6.703,1015 4.297,1016 6.171,1017 1.02,1018 7.421,1019 3.865,1020 4.111,1021 5.047,1023 7.74,1024 3.966,1025 7.515,1026 0.787,1027 9.127,1028 2.721,1029 6.061,1030 7.442,1032 10.89,1033 5.874,1034 8.903,1035 0.626,1036 10.89,1037 1.997,1038 6.594,1039 8.285,1041 12.768,1042 6.355,1043 10.326,1044 0.263,1045 12.689,1046 1.331,1047 8.043,1048 10.149,1050 15.452,1051 7.765,1052 11.773,1053 -0.29,1054 14.515,1055 0.466,1056 8.938,1057 11.381,1059 17.681,1060 8.607,1061 13.241,1062 -0.621,1063 16.361,1064 -0.678,1065 10.206,1066 13.042,1068 20.218,1069 9.835,1070 3.347,1071 -0.789,1072 18.222,1073 -1.594,1074 11.263,1075 14.449,1077 22.595,1078 10.84,1079 2.995,1080 12.1,1081 20.095,1082 -2,1083 12.469,1084 16.031,1086 25.088,1087 12.004,1088 2.553,1089 9.734,1090 21.979,1091 4.749,1092 13.598,1093 17.514,1095 27.527,1096 13.083,1097 2.407,1098 8.49,1099 23.872,1100 4.411,1101 14.786,1102 19.067,1104 30.011,1105 14.227,1106 2.125,1107 7.384,1108 25.772,1109 3.317,1110 15.949,1111 20.583,1113 32.477,1114 15.342,1115 1.741,1116 6.439,1117 27.678,1118 3.193,1119 17.135,1120 22.127,1122 34.961,1123 16.483,1124 1.535,1125 4.817,1126 29.59,1127 2.905,1128 18.313,1129 23.657,1131 37.44,1132 17.614,1133 5623,1134 9765,1135 17.918,1136 27.938,1137 42.465,1138 43.474,1139 43.782,1140 41.753,1141 41.635,1142 57.979,1144 127.317,1145 39.585,1146 5.46,1147 5.382,1148 6.59,1149 5.428,1150 5.347,1151 7.749,1153 19.606,1154 5.195,1155 12.252,1156 1.573,1157 1.61,1158 1.622,1159 1.546,1160 1.542,1161 2.147,1163 4.715,1164 1.466,1165 4.164,1166 4.196,1167 4.356,1168 4.141,1169 7.452,1170 4.102,1171 3.998,1172 4.024,1173 4.031,1174 3.878,1175 5.256,1176 3.899,1177 3.579,1178 3.656,1179 3.582,1180 3.439,1181 4.896,1182 3.415,1183 3.476,1184 3.491,1185 3.445,1186 3.384,1187 4.788,1188 3.37,1189 3.175,1190 3.248,1191 3.094,1192 2.949,1193 4.501,1194 2.972,1195 3.033,1196 3.114,1197 2.914,1198 2.861,1199 4.149,1200 2.861,1201 2.97,1202 3.049,1203 2.886,1204 2.682,1205 3.981,1206 2.718,1207 2.874,1208 3.009,1209 2.845,1210 2.618,1211 3.686,1212 2.57,1213 0.177,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.771,1219 0.176,1220 3.382,1222 7.042,1223 0.448,1224 4.302,1225 0.118,1226 3.347,1227 4.749,1229 12.1,1230 3.195,1231 1.937,1232 1.924,1233 2.007,1234 2.025,1235 1.159,1236 2.004,1237 1.843,1238 1.808,1239 1.949,1240 1.99,1241 1.147,1242 1.995,1243 1.67,1244 1.613,1245 1.816,1246 1.858,1247 0.963,1248 1.858,1249 1.42,1250 1.389,1251 1.486,1252 1.536,1253 0.619,1254 1.553,1255 1.178,1256 1.174,1257 1.417,1258 1.373,1259 0.469,1260 1.352,1261 1.011,1262 0.937,1263 1.274,1264 1.311,1265 0.342,1266 1.308,1267 0.934,1268 0.804,1269 1.216,1270 1.239,1271 0.192,1272 1.304,1273 0.842,1274 0.763,1275 1.091,1276 1.142,1277 0.04,1278 1.134,1279 4.007,1281 5.371,1282 3.045,1283 6.929,1284 5.476,1285 8.578,1286 7.662,1287 10.276,1289 4.103,1293 6.102,1299 0.159,1305 26.643,1306 66.431,1307 154.969,1308 178.621,1309 186.621,1310 186.621,1311 186.621,1312 33.551,1313 7.604,1314 86.69,1315 114.93,1316 22,1317 12.77,1318 4.459,1319 3.585,1320 33.691,1321 74,1322 88,1323 0.228,1324 167.019,1325 268.16,1326 399.286,1327 18943,1329 16.845,1330 0.702,1331 0.585,1332 17.198,1333 14.041,1334 11.58,1335 0.429,1336 0.31,1337 7.537,1338 10.718,1339 7.226,1340 6.015,1341 11.988,1342 8.377,1343 10.796,1344 0.27,1345 0.174,1346 11.438,1347 6.954,1348 9.436,1349 0.166,1350 0.088,1351 10.242,1352 5.04,1353 8.258,1354 0.102,1355 0.047,1356 9.132,1357 3.814,1358 6.872,1359 0.065,1360 0.026,1361 7.773,1362 2.745,1363 0.344,1364 76.411,1365 0.236,1366 22.793,1367 0.668,1368 134,1369 384.489,1370 170.498,1371 399.303,1372 557.57,1373 374,1374 164,1375 409.763,1376 199.621,1377 432.677,1378 639.93,1379 407,1380 5.469}
{0 CHEMBL1241767,1 1.569,2 10.568,3 4.916,4 24.167,5 142.317,6 8.16,7 0.667,8 4.225,9 4.339,10 3.875,11 3.8,12 5.428,13 3.8,14 4.711,15 4.864,16 4.277,17 4.197,18 5.88,19 4.188,20 4.94,21 5.103,22 4.409,23 4.346,24 6.113,25 4.333,26 5.073,27 5.26,28 4.46,29 4.379,30 6.289,31 4.36,32 5.132,33 5.326,34 4.432,35 4.396,36 6.334,37 4.373,38 5.123,39 5.315,40 4.434,41 4.426,42 6.297,43 4.396,44 5.16,45 5.369,46 4.45,47 4.464,48 6.331,49 4.414,50 5.166,51 5.384,52 4.328,53 4.452,54 6.256,55 4.383,56 0.094,57 0.942,58 10.144,59 4.82,60 14.051,61 5.764,62 0.26,63 1.515,64 18.646,65 8.039,66 22.85,67 10.194,68 0.306,69 1.866,70 24.352,71 9.751,72 34.453,73 12.076,74 0.484,75 2.099,76 29.895,77 11.18,78 53.505,79 14.263,80 0.668,81 2.156,82 33.509,83 11.307,84 81.971,85 13.88,86 0.556,87 2.158,88 32.395,89 11.395,90 75.437,91 14.295,92 0.631,93 2.225,94 34.721,95 12.907,96 73.979,97 17.207,98 0.505,99 2.188,100 35.761,101 12.944,102 63.56,103 16.814,104 26,105 62,106 0.247,107 0.629,108 0.749,109 0.854,110 0.896,111 0.896,112 3.643,113 0.84,114 -5.91,115 -5.76,116 -5.37,119 46.7,120 2,125 1,142 11,143 5,144 3,146 1,147 1,148 1,158 2,161 1,163 1,164 1,165 1,166 1,172 14,174 4,175 11,177 1,178 1,180 3,183 16,185 1,186 3,187 10,192 2,195 11,198 5,199 18,201 3,202 3,204 2,207 5,209 1,211 3,212 20,215 1,217 3,220 6,222 2,223 1,224 16,227 1,229 1,232 10,234 1,236 3,237 19,239 2,240 4,241 1,242 1,244 1,245 16,247 1,250 11,258 15,262 1,263 11,265 1,266 3,268 4,271 17,273 4,275 2444,276 25.137,277 25.137,278 25.137,279 25.137,280 25.137,281 21.396,282 26.185,283 14.505,284 25.545,285 20.732,286 20.732,287 20.732,288 20.732,289 20.732,290 15.125,291 33.752,292 6.859,293 21.431,294 4.338,295 1.918,296 1.159,297 0.492,298 0.225,299 0.225,300 4.358,305 1,306 868,307 2.915,310 67.778,311 452.832,314 130.755,315 152.256,318 1.41,319 39.146,322 0.75,323 0.33,324 1,325 0.6,327 1,328 1,329 0.67,330 79.5,331 391,332 4.75,333 3.876,334 7.051,335 4.316,336 3.352,337 4.724,338 1.545,339 12.087,340 3.236,341 4.618,342 3.358,343 6.996,344 4.259,345 3.289,346 4.226,347 1.063,348 11.925,349 3.19,350 4.23,351 3.106,352 6.491,353 3.858,354 2.877,355 3.833,356 0.291,357 10.01,358 2.819,359 4.068,360 2.93,361 6.02,362 3.64,363 2.668,364 3.69,365 0.207,366 8.578,367 2.589,368 3.83,369 2.761,370 5.74,371 3.421,372 2.461,373 3.228,375 7.661,376 2.361,377 3.62,378 2.705,379 5.571,380 3.191,381 2.235,382 3.007,384 6.977,385 2.135,386 3.505,387 2.38,388 5.272,389 3.081,390 2.131,391 2.875,393 6.269,394 2.016,395 3.468,396 2.295,397 5.03,398 3.033,399 2.06,400 2.723,402 5.927,403 1.992,404 3.141,405 2.098,406 4.848,407 2.753,408 1.763,409 2.33,411 5.022,412 1.739,413 2.967,414 1.72,415 4.474,416 2.444,417 1.499,418 2.181,420 4.062,421 1.422,422 2.887,423 1.54,424 4.349,425 2.425,426 1.45,427 2.052,428 3.887,429 1.414,430 2.842,431 1.489,432 4.25,433 2.414,434 1.414,435 1.973,436 3.574,437 1.401,438 2.709,439 1.407,440 3.815,441 2.214,442 1.259,443 1.786,445 2.997,446 1.199,447 2.677,448 1.337,449 3.655,450 2.179,451 1.204,452 1.751,454 2.721,455 1.17,456 2.647,457 1.227,458 3.6,459 2.162,460 1.157,461 1.677,463 2.675,464 1.159,465 17.467,466 0.472,467 1.011,468 0.027,469 55.75,470 1.507,471 31,472 0.838,473 24.75,474 0.669,475 30.536,476 0.825,477 37.133,478 0.619,479 48.271,480 1.305,481 11.005,482 0.297,483 6.914,484 0.187,485 0.118,487 0.418,493 0.832,494 1.17,495 0.712,496 0.923,497 0.818,498 0.82,499 0.64,500 1.043,501 0.676,502 0.889,503 0.564,504 0.804,505 1.028,506 1.196,507 0.89,508 1.026,509 0.937,510 0.947,511 0.971,512 1.136,513 0.913,514 1.063,515 0.916,516 0.99,517 1.472,518 1.074,519 1.097,520 0.922,521 1.518,522 0.942,523 1.279,524 1.132,525 1.067,526 0.963,527 1.299,528 0.97,529 0.752,530 0.959,531 0.907,532 0.942,533 0.63,534 0.942,535 1.126,536 0.949,537 1.109,538 0.952,539 0.943,540 1.002,541 6.5,542 0.298,543 4.444,544 3.979,545 3.042,546 1.48,547 1.294,548 0.765,549 0.711,550 0.461,551 19095,552 51096,553 2.147,554 38.3,555 6,556 13,558 1,559 3,564 1.79,565 2,566 3.381,567 0.782,573 94.114,574 1.569,575 3.989,576 4.747,577 5.415,578 5.682,579 5.682,580 2.678,581 5.101,582 5.185,583 3.547,584 2362.23,585 9.175,586 36333.1,591 354.413,592 1.434,593 5.138,594 0.155,595 0.007,596 0.072,597 0.058,598 0.043,599 0.022,600 0.019,601 0.011,602 0.011,603 0.008,604 0.405,605 0.17,606 0.63,607 0.531,608 197.9,609 -0.051,610 -0.063,611 0.039,612 0.019,613 -0.139,614 0.036,615 0.154,616 0.043,617 0.154,618 0.056,619 0.06,620 0.092,621 -0.056,622 -0.119,623 -0.019,624 -0.092,625 -0.076,626 -0.058,627 0.098,628 -0.074,629 0.023,630 -0.134,631 0.092,632 -0.084,633 -0.167,634 -0.022,635 -0.12,637 -0.136,638 -0.044,639 -0.156,640 -0.078,641 -0.118,642 -0.031,643 -0.147,644 -0.06,645 0.16,646 0.063,647 0.056,648 0.021,649 0.168,650 0.021,651 -0.198,652 0.055,653 -0.133,654 0.02,655 -0.118,656 -0.026,657 1.814,658 6.915,659 0.838,660 33.731,661 1.007,662 1.12,663 4.678,664 21.882,665 0.701,666 3.761,667 4.143,668 4.5,669 4.86,670 5.142,671 5.298,672 5.513,673 5.73,674 5.903,675 6.038,676 6.684,677 0.68,678 489.58,679 3.761,680 5.342,681 6.236,682 7.157,683 8.069,684 8.998,685 9.918,686 10.85,687 11.775,688 12.709,689 11.7,693 1,696 1,697 1,698 1,699 3,703 2,704 12,705 3,709 9,710 1,711 28,719 1,722 1,728 1,731 60,733 30,734 3,735 42,737 65,738 28,739 23,740 7,741 11,742 2,746 6,747 8,752 2,761 25,762 3,766 2,771 1,774 1,775 2,781 23,782 8,783 3,784 9,790 7,791 1,794 0.667,795 2,803 1,806 1,811 1,812 5,815 1,816 1,840 4,844 2,848 37,849 1,853 1,854 1,859 1,870 3.3,872 1,873 1,877 18.5,878 11.65,879 7.917,880 3.468,881 5.449,882 1.614,883 1.032,884 5.563,885 14.33,886 4.078,887 4.76,888 5.427,889 6.096,890 6.668,891 7.028,892 7.515,893 8.015,894 8.423,895 8.834,896 0.857,897 69,898 13.682,900 6.04,901 7.775,902 25.796,904 21.635,905 2.275,906 84.167,910 235.422,911 167.275,912 104.818,914 67.828,917 167.275,918 303.25,919 104.818,920 17.65,921 5.23,922 137.136,923 138.581,924 50.766,925 2.328,926 223.651,928 235.422,929 272.092,930 67.828,933 235.422,934 67.828,937 54.533,938 167.325,939 50.234,941 235.422,942 172.646,943 167.275,946 235.422,947 36.767,948 135.409,950 167.745,951 235.422,952 172.646,953 167.275,955 0.593,956 0.362,957 0.212,958 0.118,959 33,960 15,961 0.062,962 4,963 2,964 1.129,965 4.45,966 403.65,967 0.129,968 31,969 186.75,974 23.048,975 8.931,976 3.875,977 1.065,978 170.869,979 21.502,980 13.424,984 5.324,985 1.672,986 75.581,987 575.343,988 58,993 13.915,996 4.922,997 0.354,999 60.436,1000 67.229,1001 0.266,1002 0.675,1003 0.804,1004 0.917,1005 0.962,1006 0.962,1007 5.338,1008 2.06,1009 6.248,1010 6.269,1011 4.828,1012 5.449,1013 2.032,1014 7.141,1015 4.764,1016 6.584,1017 1.763,1018 7.855,1019 5.927,1020 4.511,1021 5.33,1022 1.048,1023 8.192,1024 4.41,1025 7.921,1026 1.499,1027 9.565,1028 5.022,1029 6.494,1030 7.734,1031 2.416,1032 11.372,1033 6.365,1034 9.296,1035 1.45,1036 11.336,1037 4.062,1038 7.004,1039 8.45,1040 2.041,1041 13.274,1042 6.841,1043 10.704,1044 1.414,1045 13.147,1046 3.887,1047 8.475,1048 10.328,1049 2.983,1050 15.982,1051 8.283,1052 12.136,1053 1.259,1054 14.986,1055 3.574,1056 9.364,1057 11.455,1058 2.968,1059 18.228,1060 9.139,1061 13.588,1062 1.204,1063 16.845,1064 2.997,1065 10.645,1066 13.116,1067 3.676,1068 20.781,1069 10.39,1070 3.352,1071 1.157,1072 18.72,1073 2.721,1074 11.704,1075 14.448,1076 3.87,1077 23.165,1078 11.415,1079 3.289,1080 12.087,1081 20.608,1082 2.675,1083 12.919,1084 16.02,1085 4.449,1086 25.666,1087 12.599,1088 2.877,1089 11.925,1090 22.505,1091 4.724,1092 14.052,1093 17.453,1094 4.758,1095 28.107,1096 13.698,1097 2.668,1098 10.01,1099 24.411,1100 4.226,1101 15.246,1102 18.993,1103 5.269,1104 30.593,1105 14.86,1106 2.461,1107 8.578,1108 26.322,1109 3.833,1110 16.412,1111 20.477,1112 5.639,1113 33.057,1114 15.991,1115 2.235,1116 7.661,1117 28.24,1118 3.69,1119 17.603,1120 22.008,1121 6.113,1122 35.539,1123 17.148,1124 2.131,1125 6.977,1126 30.161,1127 3.228,1128 18.784,1129 23.517,1130 6.515,1131 38.013,1132 18.295,1133 17665,1134 29101,1135 28.263,1136 42.04,1137 65.09,1138 65.687,1139 67.504,1140 64.142,1141 64.061,1142 87.487,1143 6.211,1144 194.949,1145 61.994,1146 5.664,1147 5.876,1148 6.735,1149 5.39,1150 5.352,1151 7.724,1152 2.671,1153 19.723,1154 5.236,1155 17.998,1156 1.55,1157 1.564,1158 1.607,1159 1.527,1160 1.525,1161 2.083,1162 0.148,1163 4.642,1164 1.476,1165 4.146,1166 4.191,1167 4.127,1168 4.011,1169 7.428,1170 4.032,1171 4.015,1172 4.044,1173 3.985,1174 3.925,1175 6.471,1176 3.934,1177 3.874,1178 3.903,1179 3.81,1180 3.821,1181 5.256,1182 3.815,1183 3.829,1184 3.859,1185 3.774,1186 3.722,1187 4.897,1188 3.734,1189 3.516,1190 3.582,1191 3.445,1192 3.333,1193 4.817,1194 3.354,1195 3.296,1196 3.363,1197 3.245,1198 3.056,1199 4.708,1200 3.084,1201 3.192,1202 3.262,1203 3.084,1204 3.026,1205 4.619,1206 3.028,1207 3.169,1208 3.255,1209 2.967,1210 3.017,1211 4.456,1212 2.997,1213 0.113,1214 0.092,1215 0.168,1216 0.103,1217 0.08,1218 4.75,1219 0.112,1220 3.876,1221 0.037,1222 7.051,1223 0.288,1224 4.316,1225 0.077,1226 3.352,1227 4.724,1228 1.545,1229 12.087,1230 3.236,1231 1.987,1232 1.961,1233 2.071,1234 2.105,1235 1.208,1236 2.092,1237 1.927,1238 1.906,1239 2.008,1240 2.026,1241 1.119,1242 2.016,1243 1.882,1244 1.855,1245 2.004,1246 1.961,1247 1.118,1248 1.976,1249 1.77,1250 1.727,1251 1.84,1252 1.949,1253 0.973,1254 1.927,1255 1.508,1256 1.449,1257 1.657,1258 1.729,1259 0.776,1260 1.712,1261 1.229,1262 1.176,1263 1.552,1264 1.489,1265 0.604,1266 1.477,1267 1.209,1268 1.135,1269 1.53,1270 1.418,1271 0.596,1272 1.469,1273 1.197,1274 1.125,1275 1.312,1276 1.402,1277 0.358,1278 1.413,1279 4.443,1281 5.808,1282 2.398,1283 7.38,1284 4.844,1285 9.05,1286 7.066,1287 10.772,1289 3.875,1293 6.257,1294 10.055,1295 0.152,1300 1.65,1305 40.794,1306 94.114,1307 239.34,1308 284.85,1309 324.904,1310 340.904,1311 340.904,1312 64.889,1313 8.88,1314 124.74,1315 124.74,1316 35,1317 13.21,1318 4.954,1319 4.087,1320 50.547,1321 148,1322 145,1323 0.166,1324 246.637,1325 419.28,1326 593.555,1327 98443,1329 25.681,1330 0.694,1331 0.547,1332 25.681,1333 20.251,1334 17.919,1335 0.427,1336 0.28,1337 11.611,1338 17.319,1339 11.29,1340 9.371,1341 17.919,1342 11.758,1343 16.68,1344 0.269,1345 0.144,1346 16.68,1347 8.938,1348 14.683,1349 0.165,1350 0.073,1351 14.683,1352 6.501,1353 13.405,1354 0.105,1355 0.037,1356 13.405,1357 4.74,1358 11.08,1359 0.065,1360 0.019,1361 11.08,1362 3.243,1363 0.252,1364 111.755,1365 0.188,1366 32.651,1367 0.481,1368 208,1369 585.068,1370 226.611,1371 578.887,1372 814.34,1373 542,1374 255,1375 630.65,1376 275.667,1377 640.732,1378 949.12,1379 604,1380 5.018}
{0 CHEMBL1241768,1 1.817,2 7.87,3 1.876,4 3.518,5 87.506,6 8.967,7 0.615,8 3.777,9 3.884,10 3.493,11 3.289,12 4.969,13 3.309,14 4.295,15 4.438,16 3.902,17 3.703,18 5.449,19 3.707,20 4.508,21 4.691,22 3.987,23 3.791,24 5.687,25 3.768,26 4.506,27 4.714,28 3.89,29 3.753,30 5.675,31 3.728,32 4.432,33 4.621,34 3.802,35 3.722,36 5.573,37 3.699,38 4.415,39 4.592,40 3.814,41 3.708,42 5.581,43 3.672,44 4.504,45 4.726,46 3.722,47 3.628,48 5.712,49 3.542,50 4.365,51 4.63,52 3.39,53 3.316,54 5.425,55 3.18,56 0.15,57 0.594,58 5.656,59 2.961,60 14.454,61 3.316,62 0.343,63 0.938,64 11.896,65 5.145,66 25.822,67 5.915,68 0.536,69 1.082,70 19.109,71 6.289,72 42.733,73 7.728,74 0.54,75 1.097,76 20.951,77 6.161,78 43.999,79 7.938,80 0.44,81 1.046,82 14.422,83 5.281,84 35.328,85 6.632,86 0.374,87 0.998,88 14.064,89 5.559,90 31.185,91 6.924,92 0.608,93 0.932,94 19.863,95 6.568,96 61.845,97 8.715,98 0.605,99 0.647,100 23.354,101 6.407,102 61.962,103 8.429,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.875,114 -4.13,115 -4.08,116 -3.86,119 40.5,121 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 4,185 1,186 2,187 4,192 3,195 5,198 3,199 6,201 3,202 3,204 2,207 3,209 1,211 1,212 6,215 1,217 3,220 1,222 2,224 5,227 1,229 2,232 3,234 2,236 1,237 3,239 1,240 3,241 1,244 1,245 1,250 3,255 2,260 1,266 1,271 1,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 14.553,283 9.039,284 16.165,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 12.608,292 4.272,293 13.748,294 3.392,295 1.038,296 0.453,297 0.216,298 0.216,299 0.216,300 3.884,301 1,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 27.443,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.833,331 181,332 4.763,333 3.4,334 7.05,335 4.31,336 3.347,337 4.733,338 0.86,339 12.146,340 3.222,341 4.218,342 3.181,343 6.261,344 3.787,345 2.843,346 3.88,348 9.314,349 2.68,350 3.878,351 2.865,352 5.971,353 3.594,354 2.651,355 3.243,357 8.322,358 2.49,359 3.68,360 2.46,361 5.68,362 3.256,363 2.324,364 3.086,366 7.318,367 2.121,368 3.239,369 2.271,370 5.078,371 2.92,372 1.994,373 2.365,375 5.689,376 1.841,377 2.996,378 1.882,379 4.469,380 2.445,381 1.513,382 2.231,384 4.136,385 1.406,386 2.82,387 1.688,388 4.235,389 2.347,390 1.414,391 1.948,393 3.533,394 1.28,395 2.638,396 1.529,397 4.038,398 2.253,399 1.342,400 1.684,402 3.509,403 1.216,404 2.442,405 1.091,406 3.662,407 1.958,408 1.035,409 1.423,411 2.565,412 0.942,413 1.857,414 0.939,415 3.249,416 1.617,417 0.683,418 0.784,420 1.743,421 0.63,422 1.618,423 0.87,424 3,425 1.537,426 0.618,427 0.618,428 1.372,429 0.563,430 1.371,431 0.587,432 2.736,433 0.925,434 0.103,435 0.124,436 0.227,437 0.072,438 1.057,439 -0.139,440 2.462,441 0.617,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.282,449 2.375,450 0.35,451 -0.595,452 -0.769,454 -1.604,455 -0.539,456 0.626,457 -0.628,458 2.333,459 0.122,460 -0.795,461 -1.041,463 -2.197,464 -0.699,465 10.881,466 0.473,467 0.61,468 0.027,469 31,470 1.348,471 15,472 0.652,473 16,474 0.696,475 17.307,476 0.752,477 24.519,478 0.663,479 21.785,480 0.947,481 6.017,482 0.262,483 5.131,484 0.223,485 0.133,487 0.404,493 0.902,494 1.237,495 0.581,496 0.899,497 0.968,498 0.797,499 0.999,500 1.099,501 0.666,502 0.852,503 0.685,504 0.816,505 0.939,506 1.215,507 0.867,508 0.981,509 0.777,510 0.947,511 0.851,512 0.919,513 0.957,514 0.886,515 0.845,516 0.876,517 0.909,518 1.105,519 0.757,520 0.912,521 0.8,522 0.99,523 0.846,524 1.28,525 0.832,526 1.184,527 0.938,528 1.189,529 0.757,530 0.998,531 0.885,532 1.092,533 0.859,534 1.173,535 1.134,536 0.704,537 0.945,538 0.937,539 1.222,540 0.992,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 16947,553 2.141,554 37.8,556 8,558 1,559 3,562 2,564 1.666,565 2,566 2.981,567 1.118,568 1,569 1,571 1,573 67.234,574 1.817,575 4.171,576 4.757,577 4.993,578 4.993,579 4.993,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,590 1,591 192.75,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.5,606 1,607 0.58,608 104.348,609 -0.113,610 -0.048,611 0.005,612 0.024,613 -0.161,614 0.046,615 -0.099,616 0.011,617 0.03,618 0.078,619 0.002,620 0.065,621 -0.026,622 -0.179,623 0.015,624 -0.039,625 0.074,626 -0.018,627 -0.006,628 0.139,629 -0.057,630 0.03,631 -0.015,632 0.054,633 -0.112,634 0.001,635 -0.115,636 -0.037,637 -0.056,638 -0.102,639 -0.058,640 -0.202,641 -0.118,642 -0.271,643 -0.105,644 -0.279,645 0.185,646 -0.055,647 0.01,648 -0.141,649 0.137,650 -0.182,651 0.013,652 0.046,653 0.203,654 0.1,655 -0.003,656 0.122,657 1.675,658 3.872,659 0.87,660 16.378,661 1.024,662 1.133,663 2.905,664 8.439,665 0.692,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.676,678 331.79,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 13.5,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 26,737 40,738 15,739 11,740 3,741 3,746 4,747 5,748 1,755 2,758 2,761 11,762 4,777 1,778 1,781 14,782 6,783 3,784 8,785 1,790 5,794 0.75,795 2,801 1,803 1,806 1,811 2,812 2,815 1,839 1,840 3,845 1,848 23,849 1,853 1,854 3,856 1,858 1,869 1,870 5.4,872 1,874 1,877 11.5,878 6.56,879 4.944,880 2.116,881 3.077,882 1.423,883 0.994,884 3.6,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.467,900 3.734,901 7.853,902 15.941,904 13.457,905 2.353,906 54.111,910 129.482,911 64.826,912 84.908,913 39.149,914 53.683,917 64.826,918 222.314,919 84.908,921 11.719,922 61.326,923 117.404,924 22.411,925 2.328,926 117.711,927 39.149,928 129.482,929 149.734,930 53.683,931 39.149,933 105.94,934 66.226,935 11,937 26.587,938 72.913,939 89.383,941 129.482,942 138.591,943 103.974,946 129.482,947 27.778,948 38.824,950 175.963,951 129.482,952 138.591,953 103.974,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.05,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 104.042,974 14.693,975 5.636,976 2.431,977 1.332,978 136.814,979 6.391,980 13.078,984 1.954,985 1.835,986 75.581,987 372.048,988 34,999 37.905,1000 41.93,1001 0.349,1002 0.801,1003 0.913,1004 0.958,1005 0.958,1006 0.958,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1013 0.908,1014 6.629,1015 4.217,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.819,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1031 0.739,1032 10.82,1033 5.776,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.239,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1049 0.593,1050 15.401,1051 7.67,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.515,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1067 0.469,1068 20.188,1069 9.756,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.773,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1085 0.366,1086 25.08,1087 11.949,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.043,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1103 0.283,1104 30.022,1105 14.2,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.33,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1121 0.217,1122 34.989,1123 16.486,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.633,1133 4917,1134 9029,1135 17.512,1136 25.602,1137 39.656,1138 40.962,1139 41.079,1140 39.743,1141 39.736,1142 52.237,1143 1.72,1144 119.749,1145 36.929,1146 5.665,1147 5.4,1148 6.646,1149 5.395,1150 5.347,1151 7.733,1152 1.72,1153 19.683,1154 5.222,1155 10.157,1156 1.525,1157 1.575,1158 1.58,1159 1.529,1160 1.528,1161 2.009,1162 0.066,1163 4.606,1164 1.42,1165 4.14,1166 4.185,1167 4.136,1168 4,1169 6.471,1170 4.022,1171 3.849,1172 3.87,1173 3.95,1174 3.754,1175 5.255,1176 3.761,1177 3.725,1178 3.77,1179 3.624,1180 3.551,1181 4.896,1182 3.559,1183 3.267,1184 3.349,1185 3.357,1186 3.02,1187 4.813,1188 3.052,1189 3.031,1190 3.118,1191 3.126,1192 2.799,1193 4.615,1194 2.82,1195 2.931,1196 2.976,1197 2.877,1198 2.746,1199 4.489,1200 2.748,1201 2.861,1202 2.958,1203 2.804,1204 2.626,1205 4.194,1206 2.636,1207 2.782,1208 2.845,1209 2.573,1210 2.596,1211 3.686,1212 2.575,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.4,1221 0.033,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1228 0.86,1229 12.146,1230 3.222,1231 1.924,1232 1.907,1233 1.978,1234 2.03,1235 1.241,1236 2.011,1237 1.785,1238 1.742,1239 1.886,1240 1.96,1241 1.114,1242 1.944,1243 1.585,1244 1.528,1245 1.75,1246 1.773,1247 0.865,1248 1.772,1249 1.317,1250 1.264,1251 1.585,1252 1.618,1253 0.782,1254 1.609,1255 1.114,1256 1.069,1257 1.231,1258 1.362,1259 0.262,1260 1.336,1261 0.883,1262 0.839,1263 1.15,1264 1.221,1265 0.142,1266 1.202,1267 0.866,1268 0.773,1269 1.107,1270 1.132,1271 0.087,1272 1.13,1273 0.75,1274 0.665,1275 0.974,1276 1.041,1278 1.032,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1290 5.885,1293 6.05,1294 9.872,1295 2.154,1297 5.448,1299 0.112,1305 24.998,1306 67.234,1307 154.343,1308 175.995,1309 184.75,1310 184.75,1311 184.75,1312 35.589,1313 7.274,1314 99.08,1315 99.08,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 154.887,1325 255.23,1326 369.684,1327 12138,1328 2.7,1329 15.974,1330 0.695,1331 0.559,1332 16.474,1333 12.864,1334 11.148,1335 0.429,1336 0.292,1337 7.099,1338 10.336,1339 6.975,1340 5.687,1341 11.437,1342 7.58,1343 10.285,1344 0.271,1345 0.154,1346 10.656,1347 5.841,1348 9.187,1349 0.17,1350 0.08,1351 9.615,1352 4.309,1353 7.78,1354 0.104,1355 0.039,1356 7.931,1357 2.945,1358 6.179,1359 0.064,1360 0.02,1361 6.374,1362 1.872,1363 0.357,1364 73.783,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 401.981,1370 157.938,1371 415.57,1372 562.73,1373 388,1374 156,1375 399.822,1376 184.36,1377 411.151,1378 609.98,1379 387,1380 6.533}
{0 CHEMBL1241769,1 1.723,2 8.458,3 2.189,4 4.793,5 93.831,6 8.411,7 0.593,8 3.857,9 3.985,10 3.521,11 3.373,12 5.001,13 3.373,14 4.381,15 4.553,16 3.925,17 3.798,18 5.475,19 3.773,20 4.643,21 4.862,22 3.993,23 3.889,24 5.736,25 3.832,26 4.624,27 4.864,28 3.877,29 3.81,30 5.695,31 3.753,32 4.525,33 4.752,34 3.822,35 3.76,36 5.602,37 3.725,38 4.509,39 4.709,40 3.858,41 3.792,42 5.639,43 3.747,44 4.554,45 4.781,46 3.799,47 3.763,48 5.695,49 3.668,50 4.477,51 4.719,52 3.603,53 3.589,54 5.563,55 3.466,56 0.119,57 0.673,58 7.388,59 3.221,60 12.686,61 4.114,62 0.234,63 1.068,64 14.429,65 5.639,66 20.304,67 7.536,68 0.444,69 1.213,70 24.274,71 7.468,72 44.02,73 10.301,74 0.483,75 1.185,76 25.62,77 7.221,78 43.29,79 10.176,80 0.406,81 1.137,82 19.138,83 5.637,84 34.33,85 8.113,86 0.371,87 1.122,88 17.838,89 5.606,90 34.904,91 7.818,92 0.467,93 1.047,94 21.351,95 7.044,96 50.281,97 9.914,98 0.465,99 0.867,100 22.451,101 6.351,102 55.54,103 8.836,104 10,105 39,106 0.302,107 0.717,108 0.842,109 0.897,110 0.897,111 0.897,112 3.23,113 0.911,114 -4.38,115 -4.31,116 -4.07,119 39,121 2,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 5,177 1,178 1,180 4,183 4,185 1,186 1,187 4,190 1,192 3,195 5,198 2,199 7,201 3,202 4,204 2,207 2,209 1,212 7,215 2,217 4,220 1,222 2,224 4,227 1,229 2,232 3,234 1,237 2,240 3,241 2,242 3,244 2,245 3,247 1,250 3,255 3,258 3,260 2,267 1,268 1,271 1,275 778,276 16.292,277 16.292,278 16.292,279 16.292,280 16.292,281 14.332,282 16.289,283 9.476,284 16.745,285 13.327,286 13.327,287 13.327,288 13.327,289 13.327,290 10.389,291 17.243,292 4.508,293 14.151,294 3.634,295 1.269,296 0.555,297 0.244,298 0.244,299 0.244,300 3.925,301 1,303 1,304 1,305 1,306 445,307 2.345,310 103.399,311 124.32,314 88.708,318 1.33,319 25.74,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.333,331 203,332 4.747,333 3.358,334 7.003,335 4.283,336 3.318,337 4.724,338 0.4,339 11.965,340 3.202,341 4.212,342 3.17,343 6.088,344 3.757,345 2.819,346 3.878,348 8.785,349 2.64,350 3.768,351 2.752,352 5.824,353 3.544,354 2.588,355 3.156,357 7.876,358 2.469,359 3.678,360 2.466,361 5.612,362 3.262,363 2.33,364 3.083,366 7.267,367 2.123,368 3.433,369 2.341,370 5.277,371 3.155,372 2.217,373 2.491,375 6.533,376 2.077,377 2.999,378 1.881,379 4.471,380 2.448,381 1.517,382 2.236,384 4.169,385 1.408,386 2.82,387 1.559,388 4.434,389 2.367,390 1.414,391 1.948,393 3.947,394 1.344,395 2.739,396 1.513,397 4.038,398 2.345,399 1.414,400 1.823,402 3.512,403 1.278,404 2.468,405 1.162,406 3.68,407 2.063,408 1.097,409 1.456,411 2.639,412 1.057,413 2.146,414 1.072,415 3.398,416 1.918,417 0.989,418 1.127,420 2.365,421 0.906,422 1.618,423 0.803,424 3,425 1.567,426 0.618,427 0.618,428 1.372,429 0.585,430 1.373,431 0.597,432 2.737,433 0.928,434 0.107,435 0.129,436 0.235,437 0.075,438 1.12,439 0.013,440 2.721,441 0.792,442 -0.145,443 -0.169,445 -0.385,446 -0.135,447 0.883,448 -0.24,449 2.404,450 0.533,451 -0.392,452 -0.481,454 -0.973,455 -0.362,456 0.774,457 -0.318,458 2.374,459 0.349,460 -0.595,461 -0.773,463 -1.604,464 -0.539,465 11.448,466 0.477,467 0.627,468 0.026,469 31.5,470 1.313,471 15,472 0.625,473 16.5,474 0.688,475 19.078,476 0.795,477 25.752,478 0.628,479 22.049,480 0.919,481 5.95,482 0.248,483 5.681,484 0.237,485 0.126,487 0.384,493 0.917,494 1.275,495 0.625,496 0.889,497 0.955,498 0.826,499 0.764,500 1.166,501 0.671,502 0.932,503 0.556,504 0.895,505 0.87,506 1.124,507 0.835,508 0.995,509 0.71,510 0.954,511 0.884,512 0.956,513 0.916,514 0.924,515 0.778,516 0.891,517 1.011,518 1.067,519 0.705,520 0.78,521 0.772,522 0.838,523 1.03,524 1.199,525 0.873,526 1.029,527 1.069,528 1.074,529 0.672,530 1.012,531 0.842,532 1.072,533 0.751,534 1.116,535 1.114,536 1.005,537 1.036,538 1.119,539 1.342,540 1.176,541 4.5,542 0.058,543 2.889,544 2.014,545 1.557,546 0.737,547 0.665,548 0.417,549 0.181,550 0.107,551 5985,552 17496,553 2.135,554 41.5,556 8,558 1,559 4,561 4,564 1.676,565 2,566 3.082,567 1.86,568 1,569 1,571 1,573 70.663,574 1.723,575 4.088,576 4.803,577 5.114,578 5.114,579 5.114,580 2.542,581 4.252,582 4.554,583 3.215,584 887.354,585 7.898,586 10085.8,587 1,588 1,590 1,591 219.66,592 1.406,593 4.518,594 0.167,595 0.01,596 0.074,597 0.053,598 0.043,599 0.021,600 0.02,601 0.014,602 0.009,603 0.011,604 0.421,605 0.17,606 1,607 0.566,608 111.499,609 -0.11,610 -0.04,611 0.005,612 0.06,613 -0.134,614 0.061,615 0.004,616 -0.01,617 0.043,618 0.015,619 0.084,620 0.024,621 0.039,622 -0.111,623 0.062,624 -0.035,625 0.129,626 0.009,627 0.046,628 0.042,629 0.012,630 0.012,631 0.055,632 0.064,633 -0.12,634 0.013,635 -0.003,636 0.093,637 -0.006,638 0.065,639 -0.137,640 -0.081,641 -0.135,642 -0.133,643 -0.174,644 -0.183,645 0.216,646 -0.023,647 0.019,648 -0.111,649 0.18,650 -0.142,651 -0.047,652 -0.094,653 -0.035,654 -0.142,655 -0.12,656 -0.189,657 1.662,658 3.9,659 0.833,660 18.75,661 1.014,662 1.137,663 3.148,664 9.911,665 0.681,666 3.332,667 3.689,668 4.007,669 4.317,670 4.543,671 4.691,672 4.875,673 5.03,674 5.075,675 5.05,676 5.231,677 0.654,678 344.84,679 3.332,680 4.89,681 5.765,682 6.666,683 7.563,684 8.472,685 9.379,686 10.294,687 11.208,688 12.126,689 14.6,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 41,733 16,734 1,735 27,737 44,738 16,739 11,740 3,741 3,746 4,747 5,748 1,755 3,758 3,761 11,762 5,777 1,778 1,781 17,782 6,783 4,784 8,785 1,790 6,794 0.75,795 1,803 1,806 1,808 1,811 2,812 2,815 1,835 1,840 3,845 1,848 24,849 1,853 1,854 4,855 1,858 1,869 1,870 2.4,872 1,877 12,878 7.143,879 5.167,880 2.441,881 3.066,882 1.418,883 0.999,884 4.041,885 10.4,886 3.584,887 4.245,888 4.904,889 5.563,890 6.139,891 6.546,892 7.014,893 7.476,894 7.755,895 8.012,896 0.833,897 38,898 8.846,900 3.874,901 7.775,902 16.856,904 14.28,905 2.275,906 54.611,910 153.024,911 62.387,912 102.919,913 39.149,914 42.683,917 62.387,918 234.856,919 102.919,921 9.28,922 79.337,923 106.404,924 22.411,925 2.328,926 141.253,927 39.149,928 153.024,929 165.306,930 42.683,931 39.149,933 105.94,934 89.768,937 42.158,938 72.913,939 89.383,941 153.024,942 145.602,943 101.536,946 153.024,947 25.34,948 38.824,949 18.011,950 164.963,951 153.024,952 145.602,953 101.536,955 0.59,956 0.353,957 0.192,958 0.103,959 21,960 9,961 0.068,962 3,963 1,964 1.1,965 3.565,966 208.189,967 0.1,968 20,969 110.039,974 15.633,975 6.203,976 2.848,977 1.387,978 143.825,979 6.458,980 13.146,984 2.038,985 1.858,986 93.591,987 400.162,988 35,999 41.563,1000 46.634,1001 0.322,1002 0.763,1003 0.896,1004 0.954,1005 0.954,1006 0.954,1007 4.836,1008 1.414,1009 5.765,1010 3.947,1011 4.369,1012 4.931,1013 0.278,1014 6.619,1015 4.256,1016 6.061,1017 1.097,1018 7.349,1019 3.512,1020 4.007,1021 4.856,1023 7.594,1024 3.819,1025 7.39,1026 0.989,1027 9.035,1028 2.639,1029 5.999,1030 7.226,1031 0.05,1032 10.746,1033 5.797,1034 8.76,1035 0.618,1036 10.781,1037 2.365,1038 6.479,1039 8.025,1041 12.595,1042 6.214,1043 10.166,1044 0.107,1045 12.567,1046 1.372,1047 7.938,1048 9.878,1049 0.008,1050 15.277,1051 7.659,1052 11.598,1053 -0.145,1054 14.381,1055 0.235,1056 8.798,1057 11.082,1059 17.497,1060 8.47,1061 13.052,1062 -0.392,1063 16.216,1064 -0.385,1065 10.064,1066 12.739,1067 0.001,1068 20.033,1069 9.715,1070 3.318,1071 -0.595,1072 18.068,1073 -0.973,1074 11.099,1075 14.13,1077 22.409,1078 10.711,1079 2.819,1080 11.965,1081 19.934,1082 -1.604,1083 12.298,1084 15.712,1086 24.902,1087 11.885,1088 2.588,1089 8.785,1090 21.812,1091 4.724,1092 13.413,1093 17.189,1095 27.341,1096 12.966,1097 2.33,1098 7.876,1099 23.7,1100 3.878,1101 14.595,1102 18.744,1104 29.823,1105 14.12,1106 2.217,1107 7.267,1108 25.596,1109 3.156,1110 15.747,1111 20.259,1113 32.287,1114 15.24,1115 1.517,1116 6.533,1117 27.499,1118 3.083,1119 16.928,1120 21.807,1122 34.767,1123 16.391,1124 1.414,1125 4.169,1126 29.409,1127 2.491,1128 18.099,1129 23.34,1131 37.241,1132 17.531,1133 5698,1134 9899,1135 18.205,1136 27.915,1137 40.89,1138 41.772,1139 42.097,1140 40.886,1141 40.854,1142 53.337,1143 0.8,1144 121.332,1145 38.33,1146 5.679,1147 5.358,1148 6.617,1149 5.357,1150 5.318,1151 7.724,1152 0.8,1153 19.353,1154 5.202,1155 10.519,1156 1.514,1157 1.547,1158 1.559,1159 1.514,1160 1.513,1161 1.975,1162 0.03,1163 4.494,1164 1.42,1165 4.134,1166 4.182,1167 4.13,1168 3.996,1169 6.471,1170 4.018,1171 3.855,1172 3.901,1173 3.947,1174 3.753,1175 5.255,1176 3.759,1177 3.802,1178 3.845,1179 3.693,1180 3.655,1181 4.892,1182 3.655,1183 3.361,1184 3.454,1185 3.363,1186 3.098,1187 4.809,1188 3.127,1189 3.096,1190 3.148,1191 3.231,1192 2.962,1193 4.52,1194 2.96,1195 2.958,1196 3.079,1197 2.892,1198 2.746,1199 4.379,1200 2.748,1201 2.929,1202 2.97,1203 2.806,1204 2.655,1205 4.196,1206 2.677,1207 2.787,1208 2.905,1209 2.762,1210 2.623,1211 3.69,1212 2.619,1213 0.176,1214 0.124,1215 0.259,1216 0.159,1217 0.123,1218 4.747,1219 0.175,1220 3.358,1221 0.015,1222 7.003,1223 0.443,1224 4.283,1225 0.119,1226 3.318,1227 4.724,1228 0.4,1229 11.965,1230 3.202,1231 1.924,1232 1.907,1233 1.978,1234 2.031,1235 1.276,1236 2.012,1237 1.785,1238 1.74,1239 1.912,1240 1.965,1241 1.119,1242 1.952,1243 1.627,1244 1.57,1245 1.813,1246 1.806,1247 1.061,1248 1.811,1249 1.502,1250 1.421,1251 1.729,1252 1.732,1253 0.844,1254 1.752,1255 1.205,1256 1.14,1257 1.361,1258 1.497,1259 0.527,1260 1.462,1261 0.954,1262 0.885,1263 1.163,1264 1.224,1265 0.214,1266 1.21,1267 0.883,1268 0.838,1269 1.149,1270 1.171,1271 0.126,1272 1.163,1273 0.813,1274 0.704,1275 1.102,1276 1.118,1278 1.128,1279 4.007,1281 5.352,1282 3.045,1283 6.887,1284 5.352,1285 8.513,1286 7.434,1287 10.191,1290 5.903,1293 6.075,1294 9.9,1295 4.017,1296 3.457,1299 0.371,1305 26.832,1306 70.663,1307 167.621,1308 196.905,1309 209.66,1310 209.66,1311 209.66,1312 37.136,1313 7.334,1314 101.88,1315 101.88,1316 22,1317 12.637,1318 4.087,1319 3.17,1320 33.579,1321 74,1322 74,1323 0.226,1324 167.277,1325 274.74,1326 399.917,1327 13463,1328 2.4,1329 16.681,1330 0.695,1331 0.569,1332 17.181,1333 13.662,1334 11.631,1335 0.431,1336 0.304,1337 7.738,1338 10.885,1339 7.596,1340 6.238,1341 11.92,1342 8.203,1343 10.723,1344 0.275,1345 0.163,1346 11.094,1347 6.355,1348 9.378,1349 0.174,1350 0.086,1351 9.807,1352 4.653,1353 7.883,1354 0.107,1355 0.044,1356 8.035,1357 3.259,1358 6.217,1359 0.067,1360 0.022,1361 6.412,1362 2.033,1363 0.34,1364 76.173,1365 0.234,1366 22.893,1367 0.668,1368 132,1369 376.579,1370 160.447,1371 399.209,1372 544.13,1373 372,1374 159,1375 392.242,1376 185.675,1377 405.209,1378 598.39,1379 382,1380 5.201}
{0 CHEMBL1241770,1 1.723,2 8.458,3 1.799,4 3.237,5 94.17,6 8.411,7 0.593,8 3.857,9 3.985,10 3.521,11 3.373,12 5.002,13 3.373,14 4.381,15 4.553,16 3.922,17 3.803,18 5.472,19 3.777,20 4.639,21 4.851,22 3.993,23 3.9,24 5.726,25 3.839,26 4.653,27 4.903,28 3.875,29 3.818,30 5.705,31 3.759,32 4.514,33 4.735,34 3.819,35 3.771,36 5.598,37 3.734,38 4.52,39 4.72,40 3.86,41 3.803,42 5.649,43 3.755,44 4.549,45 4.771,46 3.794,47 3.771,48 5.669,49 3.674,50 4.5,51 4.746,52 3.615,53 3.595,54 5.605,55 3.467,56 0.119,57 0.673,58 7.388,59 3.221,60 12.602,61 4.114,62 0.241,63 1.067,64 14.482,65 5.644,66 20.766,67 7.525,68 0.394,69 1.215,70 23.744,71 7.642,72 42.384,73 10.508,74 0.525,75 1.201,76 27.017,77 7.338,78 45.177,79 10.435,80 0.395,81 1.134,82 18.514,83 5.637,84 33.981,85 8.026,86 0.389,87 1.131,88 18.051,89 5.771,90 35.471,91 8.012,92 0.411,93 1.043,94 21.04,95 7.147,96 47.332,97 10.07,98 0.5,99 0.886,100 23.068,101 6.587,102 59.516,103 9.169,104 10,105 39,106 0.302,107 0.714,108 0.836,109 0.897,110 0.897,111 0.897,112 3.23,113 0.908,114 -4.38,115 -4.31,116 -4.07,119 39,121 1,122 1,125 3,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 6,177 1,178 1,180 4,183 4,185 1,186 1,187 5,192 3,195 5,198 2,199 7,201 3,202 4,204 2,207 3,209 1,212 6,215 2,217 3,220 2,222 2,224 4,227 2,229 3,232 4,234 2,237 2,240 2,241 1,242 2,244 1,245 3,247 1,250 2,253 1,254 1,255 4,257 1,258 1,260 1,268 2,271 1,275 778,276 16.292,277 16.292,278 16.292,279 16.292,280 16.292,281 14.332,282 16.752,283 9.476,284 16.743,285 13.327,286 13.327,287 13.327,288 13.327,289 13.327,290 10.389,291 16.208,292 4.508,293 14.138,294 3.634,295 1.288,296 0.592,297 0.244,298 0.244,299 0.244,300 3.925,301 1,303 1,304 1,305 1,306 445,307 2.345,310 103.399,311 124.32,314 88.708,318 1.33,319 25.6,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.333,331 203,332 4.747,333 3.357,334 7.003,335 4.283,336 3.318,337 4.724,338 0.4,339 11.965,340 3.203,341 4.212,342 3.169,343 6.088,344 3.758,345 2.819,346 3.878,348 8.785,349 2.645,350 3.768,351 2.694,352 5.824,353 3.558,354 2.588,355 3.156,357 7.876,358 2.507,359 3.678,360 2.463,361 5.612,362 3.263,363 2.33,364 3.083,366 7.267,367 2.124,368 3.433,369 2.329,370 5.277,371 3.158,372 2.217,373 2.491,375 6.533,376 2.082,377 2.999,378 1.881,379 4.471,380 2.447,381 1.517,382 2.236,384 4.169,385 1.408,386 2.82,387 1.603,388 4.434,389 2.357,390 1.414,391 1.948,393 3.947,394 1.327,395 2.739,396 1.527,397 4.038,398 2.343,399 1.414,400 1.823,402 3.512,403 1.277,404 2.468,405 1.236,406 3.68,407 2.043,408 1.097,409 1.456,411 2.639,412 1.034,413 2.146,414 1.075,415 3.398,416 1.914,417 0.989,418 1.127,420 2.365,421 0.903,422 1.618,423 0.76,424 3,425 1.581,426 0.618,427 0.618,428 1.372,429 0.594,430 1.373,431 0.597,432 2.737,433 0.928,434 0.107,435 0.129,436 0.235,437 0.075,438 1.12,439 0.013,440 2.721,441 0.791,442 -0.145,443 -0.169,445 -0.385,446 -0.135,447 0.883,448 -0.238,449 2.404,450 0.533,451 -0.392,452 -0.481,454 -0.973,455 -0.362,456 0.774,457 -0.316,458 2.374,459 0.349,460 -0.595,461 -0.773,463 -1.604,464 -0.539,465 11.448,466 0.477,467 0.627,468 0.026,469 31.5,470 1.313,471 15,472 0.625,473 16.5,474 0.688,475 19.048,476 0.794,477 25.752,478 0.628,479 22.078,480 0.92,481 5.977,482 0.249,483 5.654,484 0.236,485 0.126,487 0.384,493 0.917,494 1.275,495 0.625,496 0.889,497 0.952,498 0.826,499 0.777,500 1.106,501 0.676,502 0.897,503 0.563,504 0.875,505 0.829,506 1.244,507 0.834,508 1.088,509 0.689,510 1.019,511 0.914,512 0.856,513 0.902,514 0.834,515 0.782,516 0.825,517 1.009,518 1.061,519 0.726,520 0.804,521 0.795,522 0.87,523 0.99,524 1.131,525 0.875,526 1.023,527 1.049,528 1.082,529 0.666,530 1.145,531 0.833,532 1.138,533 0.763,534 1.151,535 1.033,536 0.943,537 1.019,538 1.121,539 1.313,540 1.184,541 4.5,542 0.058,543 2.889,544 2.014,545 1.557,546 0.737,547 0.665,548 0.417,549 0.181,550 0.107,551 5985,552 17652,553 2.135,554 41.5,556 9,558 1,559 4,561 2,562 1,564 1.676,565 2,566 3.082,567 1.86,568 1,569 1,571 1,573 70.663,574 1.723,575 4.07,576 4.766,577 5.114,578 5.114,579 5.114,580 2.542,581 4.252,582 4.554,583 3.215,584 887.354,585 7.898,586 10085.8,587 1,588 1,590 1,591 219.66,592 1.406,593 4.518,594 0.167,595 0.01,596 0.074,597 0.053,598 0.043,599 0.021,600 0.02,601 0.014,602 0.009,603 0.011,604 0.421,605 0.17,606 1,607 0.566,608 111.499,609 -0.11,610 -0.04,611 0.005,612 0.06,613 -0.131,614 0.061,615 -0.009,616 0.052,617 0.038,618 0.05,619 0.077,620 0.044,621 0.044,622 -0.235,623 0.054,624 -0.112,625 0.14,626 -0.045,627 0.027,628 0.129,629 0.034,630 0.095,631 0.043,632 0.132,633 -0.13,634 0.031,635 -0.035,636 0.073,637 -0.025,638 0.03,639 -0.102,640 -0.014,641 -0.139,642 -0.126,643 -0.16,644 -0.188,645 0.185,646 -0.165,647 0.022,648 -0.16,649 0.156,650 -0.163,651 0.034,652 -0.035,653 -0.02,654 -0.149,655 -0.078,656 -0.197,657 1.66,658 3.902,659 0.833,660 18.75,661 1.014,662 1.137,663 3.148,664 9.911,665 0.681,666 3.332,667 3.689,668 4.007,669 4.317,670 4.543,671 4.691,672 4.875,673 5.03,674 5.075,675 5.05,676 5.231,677 0.654,678 344.84,679 3.332,680 4.89,681 5.765,682 6.666,683 7.563,684 8.472,685 9.379,686 10.294,687 11.208,688 12.126,689 14.6,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 41,733 16,734 1,735 27,737 44,738 16,739 11,740 3,741 3,746 4,747 5,748 1,755 1,756 1,758 1,761 11,762 5,763 1,777 1,778 1,781 17,782 6,783 4,784 8,785 1,790 6,794 0.75,795 1,803 1,806 1,808 1,811 2,812 2,815 1,835 1,840 3,845 1,848 24,849 1,853 1,854 4,855 1,858 1,869 1,870 2.4,872 1,877 12,878 7.143,879 5.167,880 2.399,881 3.066,882 1.418,883 1,884 4.041,885 10.4,886 3.584,887 4.245,888 4.904,889 5.563,890 6.139,891 6.546,892 7.014,893 7.476,894 7.755,895 8.012,896 0.833,897 38,898 8.844,900 3.871,901 7.775,902 16.856,904 14.289,905 2.275,906 54.611,910 153.024,911 61.958,912 102.919,913 39.149,914 42.683,917 61.958,918 234.856,919 102.919,921 8.852,922 79.337,923 106.404,924 22.411,925 2.328,926 141.253,927 39.149,928 153.024,929 164.877,930 42.683,931 39.149,933 117.711,934 77.997,937 41.73,938 72.913,939 89.383,941 153.024,942 145.602,943 101.107,946 153.024,947 24.911,948 38.824,949 18.011,950 164.963,951 153.024,952 145.602,953 101.107,955 0.59,956 0.353,957 0.192,958 0.103,959 21,960 9,961 0.068,962 3,963 1,964 1.1,965 3.565,966 208.189,967 0.1,968 20,969 110.039,974 15.633,975 6.203,976 2.848,977 1.406,978 143.825,979 6.472,980 13.168,984 2.059,985 1.881,986 93.591,987 399.733,988 35,999 41.563,1000 46.634,1001 0.322,1002 0.76,1003 0.89,1004 0.954,1005 0.954,1006 0.954,1007 4.836,1008 1.414,1009 5.765,1010 3.947,1011 4.369,1012 4.931,1013 0.278,1014 6.619,1015 4.259,1016 6.061,1017 1.097,1018 7.349,1019 3.512,1020 4.007,1021 4.856,1023 7.594,1024 3.833,1025 7.39,1026 0.989,1027 9.035,1028 2.639,1029 5.999,1030 7.226,1031 0.05,1032 10.746,1033 5.806,1034 8.76,1035 0.618,1036 10.781,1037 2.365,1038 6.479,1039 8.025,1041 12.595,1042 6.231,1043 10.166,1044 0.107,1045 12.567,1046 1.372,1047 7.938,1048 9.878,1049 0.008,1050 15.277,1051 7.672,1052 11.598,1053 -0.145,1054 14.381,1055 0.235,1056 8.798,1057 11.082,1059 17.497,1060 8.487,1061 13.052,1062 -0.392,1063 16.216,1064 -0.385,1065 10.064,1066 12.739,1067 0.001,1068 20.033,1069 9.729,1070 3.318,1071 -0.595,1072 18.068,1073 -0.973,1074 11.099,1075 14.13,1077 22.409,1078 10.726,1079 2.819,1080 11.965,1081 19.934,1082 -1.604,1083 12.298,1084 15.712,1086 24.902,1087 11.898,1088 2.588,1089 8.785,1090 21.812,1091 4.724,1092 13.413,1093 17.189,1095 27.341,1096 12.979,1097 2.33,1098 7.876,1099 23.7,1100 3.878,1101 14.595,1102 18.744,1104 29.823,1105 14.131,1106 2.217,1107 7.267,1108 25.596,1109 3.156,1110 15.747,1111 20.259,1113 32.287,1114 15.251,1115 1.517,1116 6.533,1117 27.499,1118 3.083,1119 16.928,1120 21.807,1122 34.767,1123 16.4,1124 1.414,1125 4.169,1126 29.409,1127 2.491,1128 18.099,1129 23.34,1131 37.241,1132 17.54,1133 5698,1134 9935,1135 18.205,1136 27.915,1137 40.89,1138 41.807,1139 42.097,1140 40.878,1141 40.854,1142 53.337,1143 0.8,1144 121.332,1145 38.356,1146 5.679,1147 5.357,1148 6.617,1149 5.357,1150 5.318,1151 7.724,1152 0.8,1153 19.353,1154 5.203,1155 10.519,1156 1.514,1157 1.548,1158 1.559,1159 1.514,1160 1.513,1161 1.975,1162 0.03,1163 4.494,1164 1.421,1165 4.135,1166 4.182,1167 4.131,1168 3.998,1169 6.471,1170 4.019,1171 3.857,1172 3.902,1173 3.947,1174 3.757,1175 5.255,1176 3.761,1177 3.802,1178 3.845,1179 3.695,1180 3.658,1181 4.891,1182 3.659,1183 3.352,1184 3.447,1185 3.362,1186 3.07,1187 4.809,1188 3.108,1189 3.085,1190 3.142,1191 3.225,1192 2.938,1193 4.519,1194 2.938,1195 2.949,1196 3.069,1197 2.89,1198 2.746,1199 4.381,1200 2.748,1201 2.927,1202 2.97,1203 2.805,1204 2.661,1205 4.201,1206 2.667,1207 2.832,1208 2.946,1209 2.741,1210 2.624,1211 3.694,1212 2.621,1213 0.176,1214 0.124,1215 0.259,1216 0.159,1217 0.123,1218 4.747,1219 0.175,1220 3.357,1221 0.015,1222 7.003,1223 0.443,1224 4.283,1225 0.119,1226 3.318,1227 4.724,1228 0.4,1229 11.965,1230 3.203,1231 1.924,1232 1.907,1233 1.979,1234 2.032,1235 1.323,1236 2.013,1237 1.793,1238 1.747,1239 1.935,1240 1.967,1241 1.116,1242 1.958,1243 1.649,1244 1.598,1245 1.782,1246 1.814,1247 0.962,1248 1.819,1249 1.43,1250 1.339,1251 1.705,1252 1.705,1253 0.859,1254 1.715,1255 1.235,1256 1.169,1257 1.394,1258 1.514,1259 0.568,1260 1.485,1261 0.965,1262 0.901,1263 1.166,1264 1.224,1265 0.213,1266 1.211,1267 0.883,1268 0.838,1269 1.149,1270 1.174,1271 0.126,1272 1.167,1273 0.815,1274 0.706,1275 1.102,1276 1.119,1277 0.056,1278 1.128,1279 4.007,1281 5.352,1282 3.045,1283 6.887,1284 5.352,1285 8.513,1286 7.434,1287 10.191,1290 5.904,1293 6.078,1294 9.902,1295 3.871,1296 3.358,1299 0.51,1305 26.832,1306 70.663,1307 166.866,1308 195.395,1309 209.66,1310 209.66,1311 209.66,1312 37.224,1313 7.334,1314 101.88,1315 101.88,1316 22,1317 12.637,1318 4.087,1319 3.17,1320 33.579,1321 74,1322 74,1323 0.226,1324 167.277,1325 274.74,1326 399.917,1327 13463,1328 2.4,1329 16.681,1330 0.695,1331 0.569,1332 17.181,1333 13.662,1334 11.631,1335 0.431,1336 0.303,1337 7.709,1338 10.882,1339 7.56,1340 6.212,1341 11.92,1342 8.176,1343 10.723,1344 0.275,1345 0.165,1346 11.094,1347 6.42,1348 9.378,1349 0.174,1350 0.087,1351 9.807,1352 4.691,1353 7.883,1354 0.107,1355 0.044,1356 8.035,1357 3.252,1358 6.217,1359 0.067,1360 0.022,1361 6.412,1362 2.041,1363 0.34,1364 76.219,1365 0.234,1366 22.893,1367 0.668,1368 132,1369 376.579,1370 160.114,1371 399.332,1372 543.29,1373 372,1374 159,1375 389.961,1376 185.481,1377 403.67,1378 595.83,1379 380,1380 5.415}
{0 CHEMBL1241771,1 1.637,2 8,3 2.511,4 6.303,5 82.517,6 8.467,7 0.667,8 3.683,9 3.812,10 3.352,11 3.219,12 4.977,13 3.232,14 4.165,15 4.341,16 3.736,17 3.587,18 5.387,19 3.595,20 4.38,21 4.573,22 3.847,23 3.701,24 5.677,25 3.711,26 4.469,27 4.69,28 3.831,29 3.701,30 5.862,31 3.691,32 4.374,33 4.588,34 3.621,35 3.637,36 5.584,37 3.598,38 4.297,39 4.491,40 3.579,41 3.578,42 5.546,43 3.532,44 4.403,45 4.672,46 3.35,47 3.46,48 5.705,49 3.354,50 4.177,51 4.498,52 2.956,53 3.075,54 5.342,55 2.949,56 0.094,57 0.655,58 5.417,59 2.664,60 11.119,61 3.174,62 0.212,63 1.007,64 10.846,65 4.488,66 24.845,67 5.695,68 0.3,69 1.228,70 14.318,71 5.123,72 31.888,73 6.393,74 0.472,75 1.261,76 17.065,77 5.553,78 70.946,79 7.264,80 0.389,81 1.111,82 14.858,83 4.875,84 48.626,85 6.268,86 0.268,87 1.07,88 12.659,89 5.011,90 27.178,91 6.428,92 0.52,93 1.039,94 18.524,95 5.728,96 72.905,97 8.14,98 0.361,99 0.769,100 18.494,101 5.801,102 54.553,103 8.212,104 30,105 35,106 0.295,107 0.726,108 0.799,109 0.823,110 0.823,111 0.823,112 3.148,113 0.839,114 -4.69,115 -4.61,116 -4.33,119 42.9,120 2,127 1,142 3,143 3,144 1,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 8,177 1,178 1,180 1,183 6,185 1,186 1,187 6,195 4,198 2,199 9,201 3,202 3,204 1,207 3,209 1,212 7,217 2,220 3,222 2,224 5,229 3,232 4,234 3,236 1,237 3,242 1,245 2,247 1,249 1,258 2,262 2,265 1,266 1,275 614,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.671,282 13.306,283 8.336,284 14.968,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.616,291 9.877,292 3.803,293 12.283,294 3.492,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.822,303 1,304 1,305 1,306 371,307 2.828,310 43.076,311 115.366,314 82.187,318 1.182,319 28.753,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48.5,331 176,332 4.76,333 4.076,334 7.039,335 4.302,336 3.338,337 4.732,338 2.035,339 12.087,340 3.218,341 4.283,342 3.378,343 6.197,344 3.826,345 2.858,346 3.941,348 9.078,349 2.761,350 3.842,351 3.06,352 6.004,353 3.497,354 2.542,355 3.229,357 8.342,358 2.425,359 3.744,360 2.676,361 5.697,362 3.306,363 2.344,364 3.14,366 7.397,367 2.252,368 3.277,369 2.419,370 4.82,371 2.684,372 1.743,373 2.298,375 4.818,376 1.637,377 3.025,378 1.842,379 4.502,380 2.488,381 1.542,382 2.133,384 4.244,385 1.451,386 2.956,387 1.82,388 4.148,389 2.404,390 1.461,391 2.043,393 3.648,394 1.362,395 2.735,396 1.528,397 3.86,398 2.023,399 1.077,400 1.581,402 2.764,403 1.016,404 2.501,405 1.076,406 3.493,407 1.803,408 0.836,409 1.138,411 2.067,412 0.806,413 2.122,414 0.858,415 2.952,416 1.504,417 0.56,418 0.939,420 0.985,421 0.526,422 1.262,423 0.545,424 2.597,425 0.664,426 -0.257,427 -0.353,428 -0.474,429 -0.232,430 1.057,431 -0.124,432 2.423,433 0.592,434 -0.311,435 -0.439,436 -0.695,437 -0.277,438 0.779,439 -0.239,440 2.265,441 0.331,442 -0.611,443 -0.824,445 -1.676,446 -0.57,447 0.61,448 -0.738,449 2.233,450 0.093,451 -0.846,452 -1,454 -2,455 -0.788,456 0.208,457 -0.891,458 2,460 -1,461 -1.15,463 -2.339,464 -1,465 10.186,466 0.463,467 0.648,468 0.029,469 32,470 1.455,471 17.5,472 0.795,473 14.5,474 0.659,475 15.421,476 0.701,477 22.814,478 0.652,479 22.656,480 1.03,481 6.151,482 0.28,483 4.373,484 0.199,485 0.205,487 0.432,491 1,493 0.668,494 1.085,495 0.668,496 0.979,497 0.606,498 0.853,499 0.652,500 0.988,501 0.598,502 0.874,503 0.503,504 0.755,505 1.064,506 1.196,507 0.842,508 0.966,509 0.788,510 0.866,511 0.91,512 0.907,513 0.912,514 0.892,515 0.769,516 0.895,517 1.042,518 0.918,519 1.201,520 0.997,521 0.839,522 1.09,523 0.851,524 1.204,525 1.145,526 1.368,527 0.763,528 1.34,529 0.777,530 0.775,531 1.147,532 1.075,533 0.799,534 1.177,535 1.071,536 1.009,537 0.771,538 0.898,539 1.166,540 0.817,541 4.5,542 0.012,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.386,549 0.204,550 0.066,551 4197,552 14050,553 2.017,554 37.1,556 4,558 1,559 2,561 6,564 1.652,565 1.833,566 2.976,567 0.393,569 1,571 1,573 57.306,574 1.637,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.461,581 4.278,582 4.429,583 3.1,584 716.165,585 7.646,586 7561.51,587 1,588 1,590 1,591 179.525,592 1.544,593 4.36,594 0.188,595 0.004,596 0.089,597 0.057,598 0.051,599 0.031,600 0.021,601 0.02,602 0.016,603 0.009,604 0.486,605 0.5,606 1,607 1.003,608 98.516,609 -0.032,610 -0.064,611 0.027,612 -0.007,613 -0.059,614 0.019,615 0.073,616 -0.024,617 0.224,618 0.1,619 0.063,620 0.176,621 -0.128,622 -0.177,623 0.042,624 -0.016,625 -0.006,626 0.045,627 0.051,628 0.063,629 0.034,630 0.033,631 0.114,632 0.028,633 -0.179,634 0.031,635 -0.298,636 -0.069,637 -0.093,638 -0.172,639 -0.038,640 -0.245,641 -0.274,642 -0.4,643 -0.057,644 -0.4,645 0.171,646 0.093,647 -0.076,648 -0.099,649 0.089,650 -0.14,651 0.115,652 -0.131,653 0.509,654 0.205,655 0.094,656 0.395,657 2.261,658 5.883,659 0.682,660 15.355,661 1.019,662 1.143,663 3.463,664 11.99,665 0.686,666 3.219,667 3.584,668 3.912,669 4.22,670 4.466,671 4.605,672 4.682,673 4.771,674 4.754,675 4.673,676 4.839,677 0.675,678 296.34,679 3.219,680 4.779,681 5.659,682 6.569,683 7.475,684 8.393,685 9.308,686 10.23,687 11.148,688 12.072,689 17.1,693 1,697 1,698 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,713 1,722 1,730 1,731 35,733 17,734 1,735 24,737 37,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,760 1,761 11,762 3,777 1,778 1,779 1,781 13,782 6,783 2,784 7,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 1,848 22,849 1,858 1,861 1,866 1,868 1,869 1,877 12,878 7.143,879 4.861,880 2.095,881 3.331,882 1.479,883 0.99,884 3.422,885 10.293,886 3.555,887 4.216,888 4.926,889 5.6,890 6.166,891 6.597,892 7.044,893 7.484,894 7.791,895 8.095,896 1,897 38,898 8.086,900 3.501,901 8.068,902 14.864,904 12.051,905 2.568,906 56.5,910 129.482,911 96.165,912 115.967,915 14.96,917 96.165,918 129.482,919 130.927,920 17.65,922 61.326,923 80.322,924 62.276,925 17.288,926 117.711,928 129.482,929 212.132,930 14.96,933 73.816,934 70.627,937 63.577,938 98.321,939 50.234,941 144.442,942 115.967,943 96.165,946 129.482,947 24.865,948 56.474,949 16.602,950 129.151,951 129.482,952 130.927,953 96.165,955 0.59,956 0.363,957 0.201,958 0.111,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.238,966 180.985,967 0.133,968 15,969 96.107,974 14.282,975 5.271,976 2.287,977 1.183,978 129.151,979 5.712,980 12.719,984 0.715,985 1.721,986 32.897,987 356.574,988 34,999 35.658,1000 39.99,1001 0.319,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.812,1008 1.077,1009 5.68,1010 3.648,1011 4.263,1012 4.902,1013 2.228,1014 6.567,1015 4.176,1016 6.073,1017 0.836,1018 7.292,1019 2.764,1020 4.007,1021 4.856,1023 7.633,1024 3.883,1025 7.415,1026 0.56,1027 9.006,1028 2.067,1029 5.927,1030 7.24,1031 3.563,1032 10.773,1033 5.768,1034 8.797,1035 -0.257,1036 10.777,1037 0.985,1038 6.479,1039 8.05,1041 12.67,1042 6.283,1043 10.211,1044 -0.311,1045 12.584,1046 -0.474,1047 7.912,1048 9.912,1049 4.962,1050 15.354,1051 7.685,1052 11.651,1053 -0.611,1054 14.417,1055 -0.695,1056 8.817,1057 11.12,1059 17.595,1060 8.552,1061 13.111,1062 -0.846,1063 16.269,1064 -1.676,1065 10.077,1066 12.778,1067 6.378,1068 20.136,1069 9.78,1070 3.338,1071 -1,1072 18.135,1073 -2,1074 11.139,1075 14.171,1077 22.522,1078 10.804,1079 2.858,1080 12.087,1081 20.014,1082 -2.339,1083 12.341,1084 15.752,1085 7.797,1086 25.02,1087 11.973,1088 2.542,1089 9.078,1090 21.901,1091 4.732,1092 13.473,1093 17.229,1095 27.467,1096 13.068,1097 2.344,1098 8.342,1099 23.798,1100 3.941,1101 14.661,1102 18.784,1103 9.217,1104 29.956,1105 14.221,1106 1.743,1107 7.397,1108 25.701,1109 3.229,1110 15.825,1111 20.299,1113 32.428,1114 15.348,1115 1.542,1116 4.818,1117 27.61,1118 3.14,1119 17.012,1120 21.847,1121 10.638,1122 34.916,1123 16.499,1124 1.461,1125 4.244,1126 29.524,1127 2.298,1128 18.192,1129 23.38,1131 37.398,1132 17.643,1133 4232,1134 7864,1135 15.433,1136 24.017,1137 38.158,1138 40.085,1139 39.09,1140 36.673,1141 36.603,1142 50.349,1143 4.069,1144 110.861,1145 34.908,1146 5.43,1147 6.076,1148 6.58,1149 5.374,1150 5.338,1151 7.732,1152 4.069,1153 19.553,1154 5.218,1155 12.755,1156 1.59,1157 1.67,1158 1.629,1159 1.528,1160 1.525,1161 2.098,1162 0.17,1163 4.619,1164 1.454,1165 4.134,1166 4.181,1167 4.118,1168 3.999,1169 8.201,1170 4.021,1171 3.866,1172 3.897,1173 3.836,1174 3.761,1175 6.819,1176 3.777,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 5.255,1182 3.4,1183 3.27,1184 3.334,1185 3.229,1186 3.099,1187 4.872,1188 3.127,1189 3.075,1190 3.167,1191 2.991,1192 2.814,1193 4.598,1194 2.852,1195 2.97,1196 3.069,1197 2.866,1198 2.733,1199 4.43,1200 2.734,1201 2.897,1202 3.009,1203 2.807,1204 2.672,1205 4.06,1206 2.709,1207 2.874,1208 2.956,1209 2.499,1210 2.618,1211 3.697,1212 2.57,1213 0.198,1214 0.17,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 4.076,1221 0.085,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1228 2.035,1229 12.087,1230 3.218,1231 1.939,1232 1.919,1233 1.999,1234 2.039,1235 1.153,1236 2.022,1237 1.801,1238 1.754,1239 1.945,1240 1.988,1241 1.11,1242 1.974,1243 1.617,1244 1.553,1245 1.773,1246 1.814,1247 0.831,1248 1.813,1249 1.218,1250 1.17,1251 1.417,1252 1.431,1253 0.469,1254 1.4,1255 0.96,1256 0.876,1257 1.292,1258 1.281,1259 0.279,1260 1.308,1261 0.934,1262 0.804,1263 1.18,1264 1.239,1265 0.134,1266 1.26,1267 0.86,1268 0.804,1269 1.102,1270 1.127,1271 0.036,1272 1.097,1273 0.788,1274 0.72,1275 0.992,1276 1.068,1278 1.077,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 3.932,1291 13.883,1293 5.951,1299 0.064,1303 8.823,1304 1.796,1305 23.619,1306 57.306,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 42.158,1313 6.961,1314 93.41,1315 93.41,1316 17,1317 12.579,1318 4.17,1319 3.459,1320 34.208,1321 62,1322 74,1323 0.278,1324 148.093,1325 246.59,1326 353.106,1327 8101,1328 2.9,1329 15.853,1330 0.721,1331 0.549,1332 14.983,1333 12.078,1334 10.524,1335 0.439,1336 0.28,1337 6.602,1338 10.044,1339 6.403,1340 5.35,1341 10.113,1342 6.713,1343 9.676,1344 0.276,1345 0.147,1346 9.146,1347 5.151,1348 8.311,1349 0.17,1350 0.069,1351 7.868,1352 3.37,1353 7.137,1354 0.107,1355 0.034,1356 6.666,1357 2.311,1358 5.65,1359 0.066,1360 0.018,1361 5.483,1362 1.565,1363 0.415,1364 66.507,1365 0.255,1366 21.024,1367 0.832,1368 118,1369 415.649,1370 131.961,1371 386.43,1372 524.11,1373 358,1374 143,1375 393.035,1376 157.788,1377 393.417,1378 576.3,1379 369,1380 5.523}
{0 CHEMBL1241772,1 1.527,2 8,3 1.583,4 2.506,5 79.772,6 8.216,7 0.696,8 3.655,9 3.79,10 3.307,11 3.175,12 4.917,13 3.187,14 4.129,15 4.316,16 3.671,17 3.533,18 5.292,19 3.536,20 4.314,21 4.517,22 3.75,23 3.645,24 5.517,25 3.639,26 4.404,27 4.634,28 3.722,29 3.657,30 5.612,31 3.628,32 4.322,33 4.542,34 3.536,35 3.594,36 5.429,37 3.542,38 4.243,39 4.449,40 3.452,41 3.523,42 5.432,43 3.454,44 4.332,45 4.618,46 3.087,47 3.38,48 5.401,49 3.242,50 4.056,51 4.407,52 2.652,53 2.962,54 4.986,55 2.785,56 0.07,57 0.594,58 5.671,59 2.391,60 10.626,61 3.092,62 0.178,63 0.893,64 11.002,65 3.942,66 20.558,67 5.425,68 0.227,69 1.035,70 13.774,71 4.412,72 24.157,73 6.18,74 0.352,75 1.072,76 16.255,77 5.014,78 38.348,79 7.119,80 0.262,81 0.978,82 14.35,83 4.45,84 30.566,85 6.19,86 0.207,87 0.907,88 12.593,89 4.632,90 26.404,91 6.371,92 0.308,93 0.826,94 17.608,95 5.073,96 44.872,97 7.615,98 0.25,99 0.538,100 16.324,101 4.574,102 34.905,103 7.355,104 21,105 33,106 0.276,107 0.717,108 0.807,109 0.817,110 0.817,111 0.817,112 3.105,113 0.844,114 -3.28,115 -3.27,116 -3.14,119 41.2,120 2,127 1,142 2,143 2,145 1,146 2,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 9,177 1,178 1,180 1,183 3,185 1,186 2,187 6,195 1,198 3,199 8,201 3,202 3,204 1,207 3,209 1,211 1,212 4,217 1,220 2,222 1,223 2,224 4,226 1,227 1,229 3,232 2,234 3,236 1,237 3,245 2,249 1,262 2,265 1,266 1,275 548,276 14.146,277 14.146,278 14.146,279 14.146,280 14.146,281 12.224,282 12.811,283 8.147,284 14.476,285 11.26,286 11.26,287 11.26,288 11.26,289 11.26,290 8.221,291 9.844,292 3.737,293 11.8,294 3.561,295 1.13,296 0.633,297 0.574,298 0.574,299 0.574,300 3.781,303 1,304 1,305 1,306 356,307 2.739,310 40.733,311 108.482,314 77.684,318 1.238,319 19.648,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 45.5,331 168,332 4.757,333 4.057,334 7.038,335 4.298,336 3.335,337 4.73,338 2.035,339 12.08,340 3.212,341 4.115,342 3.372,343 6.147,344 3.659,345 2.692,346 3.719,348 8.817,349 2.6,350 3.827,351 2.734,352 5.765,353 3.452,354 2.498,355 3.211,357 7.634,358 2.379,359 3.738,360 2.574,361 5.286,362 3.24,363 2.279,364 3.09,366 6.686,367 2.187,368 3.162,369 2.285,370 4.819,371 2.684,372 1.743,373 2.295,375 4.818,376 1.637,377 3.02,378 1.821,379 4.458,380 2.472,381 1.531,382 2.131,384 4.138,385 1.436,386 2.866,387 1.532,388 3.861,389 2.022,390 1.079,391 1.585,393 2.765,394 1.015,395 2.501,396 1.078,397 3.49,398 1.959,399 1,400 1.5,402 2.275,403 0.956,404 2.5,405 1,406 3.414,407 1.794,408 0.831,409 1.1,411 2.061,412 0.798,413 2.122,414 0.855,415 2.823,416 1.406,417 0.473,418 0.883,420 0.735,421 0.44,422 1.086,423 0.12,424 2.468,425 0.636,426 -0.281,427 -0.36,428 -0.64,429 -0.257,430 1.024,431 -0.172,432 2.385,433 0.46,434 -0.482,435 -0.729,436 -0.996,437 -0.453,438 0.625,439 -0.735,440 2.249,441 0.099,442 -0.833,443 -1,445 -2,446 -0.772,447 0.5,448 -0.89,449 2,451 -1,452 -1.144,454 -2.29,455 -0.973,456 0.185,457 -1,458 1.938,459 -0.025,460 -1,461 -1.5,463 -3,464 -1,465 9.8,466 0.467,467 0.559,468 0.027,469 31.75,470 1.512,471 17.5,472 0.833,473 14.25,474 0.679,475 13.845,476 0.659,477 21.4,478 0.629,479 21.062,480 1.003,481 6.013,482 0.286,483 4.101,484 0.195,485 0.184,487 0.398,493 0.865,494 1.318,495 0.706,496 1.03,497 0.724,498 0.873,499 0.797,500 1.102,501 0.642,502 0.865,503 0.463,504 0.75,505 1.088,506 1.176,507 0.85,508 0.937,509 0.598,510 0.865,511 0.965,512 0.881,513 0.934,514 0.881,515 0.827,516 0.898,517 1.328,518 1.05,519 1.237,520 1.06,521 0.99,522 1.118,523 0.923,524 1.206,525 1.231,526 1.387,527 0.715,528 1.371,529 1.16,530 0.896,531 1.279,532 1.087,533 1.028,534 1.184,535 0.644,536 0.585,537 0.698,538 0.652,539 0.724,540 0.68,541 4,542 0.012,543 2.667,544 1.854,545 1.656,546 0.889,547 0.388,548 0.301,549 0.183,550 0.066,551 3794,552 11729,553 2.045,554 38.2,556 3,558 2,559 2,561 6,564 1.638,565 1.881,566 2.954,567 0.425,569 1,571 1,573 51.914,574 1.527,575 3.958,576 4.455,577 4.514,578 4.514,579 4.514,580 2.47,581 3.975,582 4.359,583 3.09,584 648.845,585 7.503,586 6625.02,587 1,588 1,590 1,591 172.974,592 1.51,593 4.305,594 0.174,595 0.004,596 0.081,597 0.053,598 0.05,599 0.033,600 0.016,601 0.02,602 0.018,603 0.009,604 0.459,605 0.67,606 1,607 0.988,608 92.597,609 -0.028,610 -0.153,611 0.042,612 -0.05,613 -0.066,614 -0.002,615 0.126,616 -0.03,617 0.224,618 0.108,619 0.106,620 0.171,621 -0.087,622 -0.124,623 0.049,624 0.008,625 0.076,626 0.045,627 0.092,628 0.13,629 0.022,630 0.056,631 0.019,632 0.031,633 -0.323,634 -0.026,635 -0.317,636 -0.117,637 -0.193,638 -0.198,639 -0.03,640 -0.191,641 -0.338,642 -0.41,643 -0.018,644 -0.428,645 -0.182,646 -0.041,647 -0.202,648 -0.104,649 -0.153,650 -0.147,651 0.236,652 0.093,653 0.549,654 0.416,655 0.227,656 0.519,657 1.31,658 2.82,659 0.714,660 14.576,661 1.011,662 1.139,663 2.054,664 4.218,665 0.686,666 3.178,667 3.526,668 3.85,669 4.159,670 4.419,671 4.543,672 4.595,673 4.663,674 4.644,675 4.543,676 4.77,677 0.669,678 279.34,679 3.178,680 4.727,681 5.602,682 6.506,683 7.408,684 8.322,685 9.235,686 10.154,687 11.071,688 11.993,689 20.6,693 1,697 1,698 1,699 4,703 2,704 4,705 4,709 4,710 1,711 16,713 1,722 1,731 34,733 17,735 23,737 36,738 14,739 10,746 3,747 4,752 2,758 1,760 1,761 10,762 3,777 1,778 1,781 13,782 6,783 2,784 7,790 7,794 0.667,803 1,805 1,806 1,811 1,812 2,815 1,840 2,844 2,848 21,849 1,858 1,861 1,866 1,868 1,877 11.167,878 6.95,879 4.667,880 2.03,881 3.335,882 1.486,883 0.985,884 3.191,885 10.196,886 3.526,887 4.171,888 4.882,889 5.549,890 6.13,891 6.548,892 6.987,893 7.407,894 7.716,895 8.003,896 1,897 35,898 7.656,900 3.225,901 7.873,902 14.313,904 11.485,905 2.373,906 49.833,910 129.482,911 86.186,912 132.753,917 86.186,918 129.482,919 132.753,920 17.65,922 51.85,923 108.879,924 61.774,925 2.328,926 105.94,928 129.482,929 218.939,933 58.856,934 70.627,937 75.381,938 76.538,939 67.02,941 129.482,942 132.753,943 86.186,946 129.482,947 15.315,948 56.045,949 16.602,950 130.976,951 129.482,952 132.753,953 86.186,955 0.585,956 0.355,957 0.197,958 0.114,959 17,960 8,961 0.056,962 2,963 1,964 1.133,965 3.205,966 168.187,967 0.133,968 15,969 90.239,974 13.327,975 5.028,976 2.172,977 1.398,978 130.976,979 6.483,980 16.979,984 2.19,985 1.806,986 32.897,987 348.421,988 33,999 34.363,1000 38.734,1001 0.3,1002 0.778,1003 0.876,1004 0.887,1005 0.887,1006 0.887,1007 4.771,1008 1,1009 5.609,1010 2.765,1011 4.205,1012 4.856,1013 2.228,1014 6.482,1015 4.116,1016 6.021,1017 0.831,1018 7.209,1019 2.275,1020 3.892,1021 4.745,1023 7.532,1024 3.779,1025 7.354,1026 0.473,1027 8.911,1028 2.061,1029 5.849,1030 7.18,1031 3.563,1032 10.676,1033 5.683,1034 8.727,1035 -0.281,1036 10.674,1037 0.735,1038 6.365,1039 7.954,1041 12.583,1042 6.174,1043 10.135,1044 -0.482,1045 12.477,1046 -0.64,1047 7.818,1048 9.842,1049 4.962,1050 15.273,1051 7.581,1052 11.569,1053 -0.833,1054 14.308,1055 -0.996,1056 8.705,1057 11.034,1059 17.531,1060 8.439,1061 13.025,1062 -1,1063 16.16,1064 -2,1065 9.977,1066 12.707,1067 6.378,1068 20.079,1069 9.669,1070 3.335,1071 -1,1072 18.029,1073 -2.29,1074 11.034,1075 14.096,1077 22.478,1078 10.694,1079 2.692,1080 12.08,1081 19.911,1082 -3,1083 12.244,1084 15.687,1085 7.797,1086 24.983,1087 11.865,1088 2.498,1089 8.817,1090 21.804,1091 4.73,1092 13.378,1093 17.166,1095 27.438,1096 12.964,1097 2.279,1098 7.634,1099 23.706,1100 3.719,1101 14.572,1102 18.728,1103 9.217,1104 29.931,1105 14.121,1106 1.743,1107 6.686,1108 25.615,1109 3.211,1110 15.741,1111 20.247,1113 32.407,1114 15.253,1115 1.531,1116 4.818,1117 27.531,1118 3.09,1119 16.934,1120 21.8,1121 10.638,1122 34.898,1123 16.409,1124 1.079,1125 4.138,1126 29.452,1127 2.295,1128 18.119,1129 23.338,1131 37.383,1132 17.557,1133 3808,1134 6812,1135 15.027,1136 23.324,1137 36.52,1138 37.79,1139 36.905,1140 34.924,1141 34.921,1142 48.487,1143 4.069,1144 104.02,1145 33.322,1146 5.422,1147 6.057,1148 6.589,1149 5.37,1150 5.335,1151 7.73,1152 4.069,1153 19.53,1154 5.169,1155 11.124,1156 1.588,1157 1.643,1158 1.605,1159 1.518,1160 1.518,1161 2.108,1162 0.177,1163 4.523,1164 1.449,1165 4.129,1166 4.178,1167 4.113,1168 3.98,1169 6.821,1170 4.007,1171 3.826,1172 3.869,1173 3.787,1174 3.699,1175 5.257,1176 3.716,1177 3.576,1178 3.654,1179 3.445,1180 3.407,1181 4.902,1182 3.399,1183 3.267,1184 3.331,1185 3.226,1186 3.094,1187 4.768,1188 3.122,1189 3.074,1190 3.167,1191 2.982,1192 2.813,1193 4.486,1194 2.849,1195 2.967,1196 3.067,1197 2.856,1198 2.673,1199 4.077,1200 2.709,1201 2.874,1202 3.009,1203 2.628,1204 2.618,1205 3.811,1206 2.589,1207 2.774,1208 2.857,1209 2.499,1210 2.589,1211 3.697,1212 2.57,1213 0.207,1214 0.176,1215 0.306,1216 0.187,1217 0.145,1218 4.757,1219 0.206,1220 4.057,1221 0.088,1222 7.038,1223 0.525,1224 4.298,1225 0.14,1226 3.335,1227 4.73,1228 2.035,1229 12.08,1230 3.212,1231 1.904,1232 1.876,1233 1.968,1234 2.036,1235 1.149,1236 2.013,1237 1.786,1238 1.734,1239 1.939,1240 1.977,1241 1.048,1242 1.963,1243 1.608,1244 1.544,1245 1.763,1246 1.809,1247 0.792,1248 1.807,1249 1.212,1250 1.163,1251 1.417,1252 1.428,1253 0.469,1254 1.397,1255 0.96,1256 0.876,1257 1.29,1258 1.281,1259 0.275,1260 1.308,1261 0.934,1262 0.804,1263 1.18,1264 1.239,1265 0.048,1266 1.259,1267 0.801,1268 0.728,1269 1.032,1270 1.126,1271 0.011,1272 1.097,1273 0.761,1274 0.676,1275 0.991,1276 1.013,1278 1.027,1279 3.85,1281 5.187,1282 2.398,1283 6.732,1284 4.844,1285 8.372,1286 7.081,1287 10.062,1289 4.039,1293 5.987,1299 0.141,1303 8.82,1304 1.992,1305 22.73,1306 51.914,1307 134.567,1308 151.464,1309 153.464,1310 153.464,1311 153.464,1312 29.408,1313 6.862,1314 106.3,1315 106.3,1316 17,1317 12.501,1318 4.17,1319 3.459,1320 31.963,1321 58,1322 74,1323 0.278,1324 144.097,1325 234.22,1326 343.355,1327 7210,1329 14.983,1330 0.713,1331 0.555,1332 14.983,1333 11.647,1334 10.113,1335 0.44,1336 0.281,1337 6.365,1338 9.678,1339 6.16,1340 5.17,1341 10.113,1342 6.467,1343 9.146,1344 0.277,1345 0.148,1346 9.146,1347 4.888,1348 7.868,1349 0.171,1350 0.069,1351 7.868,1352 3.159,1353 6.666,1354 0.106,1355 0.034,1356 6.666,1357 2.158,1358 5.483,1359 0.067,1360 0.018,1361 5.483,1362 1.47,1363 0.415,1364 63.631,1365 0.258,1366 20.264,1367 0.83,1368 112,1369 341.183,1370 123.851,1371 341.557,1372 474.48,1373 318,1374 135,1375 365.166,1376 148.156,1377 371.178,1378 541.51,1379 348,1380 4.889}
{0 CHEMBL1241773,1 1.565,2 8.091,3 2.166,4 4.692,5 86.966,6 7.574,7 0.667,8 3.767,9 3.901,10 3.349,11 3.297,12 4.938,13 3.285,14 4.268,15 4.457,16 3.731,17 3.666,18 5.389,19 3.646,20 4.463,21 4.656,22 3.81,23 3.785,24 5.629,25 3.759,26 4.557,27 4.776,28 3.791,29 3.812,30 5.723,31 3.759,32 4.523,33 4.756,34 3.581,35 3.755,36 5.545,37 3.669,38 4.397,39 4.619,40 3.483,41 3.659,42 5.458,43 3.564,44 4.439,45 4.709,46 3.2,47 3.541,48 5.474,49 3.396,50 4.276,51 4.594,52 2.923,53 3.256,54 5.129,55 3.076,56 0.053,57 0.623,58 7.654,59 3.186,60 8.759,61 4.309,62 0.154,63 0.961,64 14.254,65 5.264,66 19.378,67 7.416,68 0.219,69 1.125,70 17.853,71 5.792,72 31.031,73 8.213,74 0.326,75 1.202,76 20.325,77 6.592,78 41.414,79 9.451,80 0.257,81 1.118,82 20.014,83 6.297,84 34.661,85 9.263,86 0.14,87 1.007,88 16.962,89 5.891,90 24.4,91 8.674,92 0.29,93 0.94,94 19.508,95 5.97,96 45.183,97 9.072,98 0.212,99 0.693,100 18.19,101 6.027,102 27.372,103 9.216,104 30,105 35,106 0.277,107 0.66,108 0.754,109 0.772,110 0.79,111 0.79,112 3.148,113 0.886,114 -4.55,115 -4.47,116 -4.21,119 41,120 3,127 1,142 4,143 3,146 1,147 1,148 1,157 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 9,177 1,178 1,180 1,183 9,185 1,186 1,187 7,195 7,198 2,199 10,201 3,202 3,204 1,207 6,209 1,212 8,217 2,220 4,222 2,224 7,229 4,232 4,234 4,236 1,237 4,242 1,245 5,247 1,249 1,250 1,258 2,262 2,263 2,265 1,266 1,268 1,273 1,275 626,276 14.483,277 14.483,278 14.483,279 14.483,280 14.483,281 12.508,282 11.915,283 8.284,284 14.699,285 11.801,286 11.801,287 11.801,288 11.801,289 11.801,290 8.745,291 9.342,292 3.857,293 12.15,294 3.72,295 1.56,296 1.032,297 0.93,298 0.827,299 0.827,300 3.822,303 1,304 1,305 1,306 375,307 3.082,310 44.015,311 116.616,314 83.744,318 1.281,319 21.032,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 178,332 4.758,333 3.545,334 7.038,335 4.298,336 3.335,337 4.73,338 1.277,339 12.08,340 3.215,341 4.17,342 3.371,343 6.153,344 3.796,345 2.788,346 3.774,348 8.845,349 2.814,350 3.854,351 2.717,352 5.924,353 3.534,354 2.563,355 3.247,357 8.146,358 2.486,359 3.756,360 2.529,361 5.727,362 3.369,363 2.4,364 3.168,366 7.486,367 2.317,368 3.119,369 2.006,370 4.82,371 2.69,372 1.746,373 2.383,375 4.819,376 1.646,377 3.018,378 1.814,379 4.512,380 2.59,381 1.62,382 2.137,384 4.307,385 1.564,386 2.757,387 1.473,388 3.889,389 2.241,390 1.248,391 1.803,393 2.955,394 1.229,395 2.5,396 1.054,397 3.734,398 2,399 1,400 1.5,402 2.622,403 1,404 2.471,405 1,406 3.468,407 1.971,408 1,409 1.431,411 2.275,412 0.967,413 2.118,414 0.844,415 3.414,416 1.75,417 0.785,418 1.013,420 1.989,421 0.755,422 1.071,423 0.33,424 2.593,425 0.661,426 -0.273,427 -0.345,428 -0.64,429 -0.252,430 0.986,431 -0.139,432 2.415,433 0.531,434 -0.442,435 -0.591,436 -1.081,437 -0.433,438 0.622,439 -0.393,440 2.252,441 0.113,442 -0.831,443 -1,445 -2,446 -0.775,447 0.5,448 -0.782,449 2,450 0.091,451 -1,452 -1.128,454 -2,455 -1,456 0.429,457 -1,458 2,460 -1,461 -1.31,463 -2.31,464 -1,465 10.333,466 0.47,467 0.686,468 0.031,469 30.25,470 1.375,471 16,472 0.727,473 14.25,474 0.648,475 16.415,476 0.746,477 23.267,478 0.597,479 21.359,480 0.971,481 5.855,482 0.266,483 4.631,484 0.211,485 0.216,487 0.426,493 0.726,494 1.26,495 0.77,496 1.049,497 0.742,498 0.933,499 0.669,500 1.054,501 0.649,502 0.887,503 0.542,504 0.781,505 1.243,506 1.182,507 0.939,508 0.95,509 1.081,510 0.905,511 0.992,512 0.989,513 0.993,514 0.982,515 0.924,516 0.985,517 1.161,518 1.045,519 1.175,520 1.017,521 0.892,522 1.074,523 0.828,524 1.293,525 1.138,526 1.265,527 0.626,528 1.242,529 0.959,530 0.938,531 1.249,532 1.09,533 0.941,534 1.179,535 0.506,536 0.796,537 0.718,538 0.904,539 0.68,540 0.858,541 4.5,542 0.025,543 3.111,544 2.104,545 1.696,546 0.952,547 0.429,548 0.301,549 0.289,550 0.124,551 4329,552 12065,553 2.017,554 43.6,556 5,558 1,559 2,560 3,561 6,564 1.65,565 1.833,566 2.99,567 0.348,568 1,569 1,571 1,573 61.034,574 1.565,575 3.726,576 4.253,577 4.356,578 4.458,579 4.458,580 2.461,581 3.914,582 4.427,583 3.16,584 730.057,585 7.632,586 7761.98,587 1,588 1,590 1,591 206.131,592 1.544,593 4.36,594 0.188,595 0.004,596 0.089,597 0.057,598 0.048,599 0.034,600 0.017,601 0.018,602 0.022,603 0.011,604 0.488,605 0.5,606 1,607 1.003,608 99.103,609 0.01,610 -0.057,611 0.044,612 -0.014,613 -0.118,614 0.013,615 0.153,616 0.047,617 0.247,618 0.116,619 0.11,620 0.181,621 -0.156,622 -0.095,623 -0.011,624 0.013,625 -0.072,626 0.02,627 0.026,628 0.073,629 -0.045,630 -0.036,631 -0.013,632 -0.054,633 -0.246,634 -0.016,635 -0.226,636 -0.061,637 -0.136,638 -0.124,639 -0.116,640 -0.259,641 -0.225,642 -0.279,643 -0.027,644 -0.269,645 -0.105,646 0.015,647 -0.261,648 -0.143,649 -0.131,650 -0.205,651 0.261,652 -0.032,653 0.34,654 0.11,655 0.128,656 0.22,657 1.632,658 4.393,659 0.682,660 16.314,661 1.004,662 1.133,663 3.319,664 11.013,665 0.668,666 3.219,667 3.584,668 3.892,669 4.19,670 4.443,671 4.585,672 4.654,673 4.718,674 4.754,675 4.7,676 5.016,677 0.641,678 295.38,679 3.219,680 4.779,681 5.652,682 6.558,683 7.459,684 8.373,685 9.283,686 10.202,687 11.117,688 12.038,689 12.8,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,716 1,722 1,731 39,733 17,734 1,735 24,737 41,738 16,739 11,740 2,741 4,742 1,746 3,747 4,752 3,758 1,761 12,762 4,766 1,771 1,775 1,777 1,778 1,781 17,782 5,783 2,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 22,849 1,858 1,870 2.6,873 1,877 12,878 8.05,879 4.778,880 2.35,881 3.237,882 1.465,883 0.983,884 3.572,885 10.196,886 3.526,887 4.201,888 4.882,889 5.549,890 6.13,891 6.548,892 6.987,893 7.407,894 7.716,895 8.003,896 1,897 37,898 8.083,900 3.419,901 7.818,902 15.262,904 12.37,905 2.318,906 51,910 176.567,911 93.877,912 84.908,914 25.145,917 93.877,918 201.711,919 84.908,920 26.476,922 70.802,923 93.999,924 22.096,925 2.328,926 164.795,928 176.567,929 178.785,930 25.145,933 105.94,934 95.772,937 41.343,938 87.208,939 50.234,941 176.567,942 110.053,943 93.877,946 176.567,947 20.878,948 74.776,950 108.276,951 176.567,952 110.053,953 93.877,955 0.595,956 0.353,957 0.19,958 0.108,959 18,960 9,961 0.073,962 3,963 1,964 1.133,965 3.267,966 179.223,967 0.133,968 15,969 92.107,974 14.519,975 5.412,976 2.468,977 1.458,978 108.276,979 8.766,980 13.025,984 2.691,985 1.835,986 32.897,987 380.496,988 33,993 11.393,997 0.034,999 39.138,1000 44.192,1001 0.296,1002 0.705,1003 0.805,1004 0.824,1005 0.843,1006 0.843,1007 4.771,1008 1,1009 5.673,1010 2.955,1011 4.263,1012 4.887,1013 1.45,1014 6.55,1015 4.209,1016 6.021,1017 1,1018 7.28,1019 2.622,1020 4.007,1021 4.844,1023 7.609,1024 3.943,1025 7.359,1026 0.785,1027 8.989,1028 2.275,1029 5.916,1030 7.204,1031 1.845,1032 10.742,1033 5.811,1034 8.738,1035 -0.273,1036 10.757,1037 1.989,1038 6.463,1039 8.009,1041 12.642,1042 6.343,1043 10.151,1044 -0.442,1045 12.562,1046 -0.64,1047 7.894,1048 9.866,1049 2.271,1050 15.322,1051 7.737,1052 11.59,1053 -0.831,1054 14.393,1055 -1.081,1056 8.792,1057 11.068,1059 17.568,1060 8.609,1061 13.049,1062 -1,1063 16.244,1064 -2,1065 10.051,1066 12.729,1067 2.72,1068 20.108,1069 9.833,1070 3.335,1071 -1,1072 18.11,1073 -2,1074 11.108,1075 14.119,1077 22.499,1078 10.855,1079 2.788,1080 12.08,1081 19.987,1082 -2.31,1083 12.309,1084 15.704,1085 3.184,1086 24.999,1087 12.021,1088 2.563,1089 8.845,1090 21.875,1091 4.73,1092 13.438,1093 17.182,1095 27.449,1096 13.111,1097 2.4,1098 8.146,1099 23.771,1100 3.774,1101 14.625,1102 18.741,1103 3.658,1104 29.939,1105 14.26,1106 1.746,1107 7.486,1108 25.675,1109 3.247,1110 15.788,1111 20.258,1113 32.413,1114 15.383,1115 1.62,1116 4.819,1117 27.584,1118 3.168,1119 16.975,1120 21.81,1121 4.138,1122 34.902,1123 16.53,1124 1.248,1125 4.307,1126 29.5,1127 2.383,1128 18.156,1129 23.345,1131 37.385,1132 17.669,1133 4353,1134 7373,1135 15.433,1136 26.051,1137 37.537,1138 37.809,1139 39.023,1140 36.979,1141 36.968,1142 50.37,1143 2.555,1144 111.048,1145 35.988,1146 5.439,1147 5.545,1148 6.566,1149 5.371,1150 5.335,1151 7.73,1152 2.555,1153 19.531,1154 5.215,1155 12.916,1156 1.564,1157 1.575,1158 1.626,1159 1.541,1160 1.54,1161 2.099,1162 0.106,1163 4.627,1164 1.499,1165 4.134,1166 4.181,1167 4.116,1168 4.002,1169 7.428,1170 4.022,1171 3.875,1172 3.903,1173 3.823,1174 3.773,1175 5.256,1176 3.784,1177 3.577,1178 3.655,1179 3.445,1180 3.409,1181 4.88,1182 3.401,1183 3.425,1184 3.469,1185 3.332,1186 3.247,1187 4.673,1188 3.26,1189 3.157,1190 3.25,1191 3.039,1192 2.91,1193 4.468,1194 2.935,1195 2.991,1196 3.101,1197 2.869,1198 2.735,1199 4.071,1200 2.72,1201 2.874,1202 3.009,1203 2.687,1204 2.683,1205 3.772,1206 2.715,1207 2.854,1208 2.925,1209 2.521,1210 2.618,1211 3.677,1212 2.57,1213 0.198,1214 0.148,1215 0.293,1216 0.179,1217 0.139,1218 4.758,1219 0.197,1220 3.545,1221 0.053,1222 7.038,1223 0.503,1224 4.298,1225 0.134,1226 3.335,1227 4.73,1228 1.277,1229 12.08,1230 3.215,1231 1.952,1232 1.932,1233 2.036,1234 2.043,1235 1.163,1236 2.036,1237 1.807,1238 1.76,1239 1.947,1240 1.997,1241 1.133,1242 1.982,1243 1.625,1244 1.562,1245 1.791,1246 1.825,1247 0.867,1248 1.825,1249 1.388,1250 1.339,1251 1.649,1252 1.603,1253 0.678,1254 1.617,1255 1.088,1256 1.012,1257 1.417,1258 1.379,1259 0.469,1260 1.356,1261 0.934,1262 0.821,1263 1.251,1264 1.239,1265 0.273,1266 1.308,1267 0.886,1268 0.804,1269 1.181,1270 1.198,1271 0.218,1272 1.189,1273 0.857,1274 0.763,1275 1.137,1276 1.062,1277 0.038,1278 1.107,1279 3.892,1281 5.242,1282 2.398,1283 6.79,1284 4.844,1285 8.43,1286 7.081,1287 10.119,1289 5.616,1293 6.027,1299 0.155,1305 24.983,1306 61.034,1307 145.302,1308 165.866,1309 169.866,1310 173.866,1311 173.866,1312 34.964,1313 6.959,1314 86.69,1315 86.69,1316 17,1317 12.548,1318 4.17,1319 3.322,1320 34.302,1321 64,1322 70,1323 0.269,1324 156.616,1325 258.25,1326 373.904,1327 8177,1329 15.853,1330 0.721,1331 0.579,1332 15.853,1333 12.739,1334 10.486,1335 0.437,1336 0.295,1337 6.995,1338 10.086,1339 6.715,1340 5.642,1341 10.486,1342 7.088,1343 9.876,1344 0.282,1345 0.157,1346 9.876,1347 5.478,1348 8.158,1349 0.17,1350 0.074,1351 8.158,1352 3.572,1353 6.881,1354 0.106,1355 0.037,1356 6.881,1357 2.42,1358 5.577,1359 0.066,1360 0.019,1361 5.577,1362 1.635,1363 0.405,1364 65.636,1365 0.255,1366 21.171,1367 0.79,1368 118,1369 341.628,1370 129.54,1371 336.69,1372 467.88,1373 314,1374 142,1375 358.929,1376 154.291,1377 363.832,1378 533.43,1379 342,1380 5.854}
{0 CHEMBL1241774,1 1.504,2 8.043,3 1.89,4 3.573,5 87.955,6 8.036,7 0.808,8 3.777,9 3.911,10 3.423,11 3.307,12 4.96,13 3.314,14 4.268,15 4.451,16 3.806,17 3.685,18 5.397,19 3.685,20 4.454,21 4.658,22 3.874,23 3.796,24 5.573,25 3.784,26 4.515,27 4.737,28 3.822,29 3.81,30 5.63,31 3.769,32 4.462,33 4.679,34 3.659,35 3.763,36 5.493,37 3.697,38 4.398,39 4.608,40 3.617,41 3.688,42 5.5,43 3.62,44 4.472,45 4.742,46 3.409,47 3.586,48 5.504,49 3.475,50 4.293,51 4.607,52 3.137,53 3.308,54 5.199,55 3.172,56 0.061,57 0.665,58 6.744,59 2.797,60 8.807,61 3.67,62 0.175,63 1.028,64 12.845,65 4.582,66 18.411,67 6.319,68 0.239,69 1.191,70 16.342,71 5.168,72 21.879,73 7.268,74 0.324,75 1.215,76 18.179,77 5.924,78 31.67,79 8.355,80 0.24,81 1.129,82 16.906,83 5.684,84 24.369,85 7.94,86 0.184,87 1.067,88 15.427,89 5.566,90 23.523,91 7.796,92 0.338,93 1.028,94 19.578,95 6.019,96 41.448,97 8.865,98 0.26,99 0.782,100 18.548,101 5.765,102 30.522,103 8.903,104 11,105 38,106 0.265,107 0.664,108 0.774,109 0.805,110 0.814,111 0.823,112 3.19,113 0.848,114 -3.45,115 -3.42,116 -3.27,119 42.1,120 2,127 1,142 3,143 2,145 2,146 3,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 9,177 1,178 1,180 1,183 4,185 1,186 2,187 9,195 3,198 2,199 9,201 3,202 3,204 1,207 3,209 1,211 1,212 6,217 2,220 2,222 2,223 2,224 5,229 3,232 4,234 3,236 3,239 1,240 1,245 2,249 2,250 2,252 1,253 1,263 2,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.264,282 9.487,283 9.059,284 16.026,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.221,291 7.5,292 4.27,293 13.46,294 3.744,295 1.471,296 0.849,297 0.671,298 0.619,299 0.566,300 3.888,303 1,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 18.047,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 185,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.22,341 4.396,342 2.923,343 6.247,344 3.881,345 2.913,346 4.324,348 9.372,349 2.818,350 3.85,351 2.664,352 6.069,353 3.509,354 2.554,355 3.298,357 8.561,358 2.436,359 3.744,360 2.399,361 5.712,362 3.325,363 2.367,364 3.179,366 7.453,367 2.265,368 3.118,369 1.822,370 4.82,371 2.685,372 1.744,373 2.427,375 4.819,376 1.638,377 3.08,378 1.618,379 4.531,380 2.572,381 1.618,382 2.368,384 4.487,385 1.542,386 3.016,387 1.579,388 4.367,389 2.52,390 1.579,391 2.141,393 4.088,394 1.482,395 2.86,396 1.368,397 3.864,398 2.321,399 1.368,400 2.035,402 2.999,403 1.301,404 2.527,405 1.059,406 3.614,407 2.007,408 1.058,409 1.539,411 2.733,412 1.001,413 2.186,414 0.856,415 3.486,416 1.791,417 0.827,418 1.077,420 2.06,421 0.796,422 2.085,423 0.639,424 3.162,425 1.579,426 0.632,427 0.922,428 1.506,429 0.597,430 1.084,431 -0.144,432 2.682,433 0.654,434 -0.273,435 -0.348,436 -0.643,437 -0.251,438 1.03,439 -0.409,440 2.425,441 0.532,442 -0.415,443 -0.587,445 -1.037,446 -0.394,447 0.882,448 -0.618,449 2.262,450 0.346,451 -0.618,452 -0.927,454 -1.598,455 -0.593,456 0.644,457 -0.776,458 2.229,459 0.123,460 -0.811,461 -1,463 -2,464 -0.754,465 10.8,466 0.47,467 0.61,468 0.027,469 34.5,470 1.5,471 18.5,472 0.804,473 16,474 0.696,475 15.853,476 0.689,477 23.4,478 0.616,479 23.287,480 1.012,481 6.586,482 0.286,483 4.562,484 0.198,485 0.13,487 0.407,493 0.882,494 1.326,495 0.711,496 1.021,497 1.051,498 0.87,499 0.875,500 1.131,501 0.677,502 0.869,503 0.672,504 0.763,505 1.187,506 1.121,507 0.875,508 0.875,509 0.866,510 0.831,511 1.004,512 0.918,513 0.962,514 0.912,515 0.979,516 0.926,517 1.203,518 1.04,519 1.183,520 1.081,521 1.025,522 1.12,523 0.962,524 1.267,525 1.141,526 1.314,527 1.118,528 1.268,529 1.016,530 0.879,531 1.165,532 1.056,533 1.439,534 1.121,535 0.57,536 0.787,537 0.736,538 0.853,539 0.528,540 0.829,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 14000,553 2.141,554 39.5,556 4,558 3,559 2,561 6,564 1.663,565 2,566 3.014,567 0.364,568 1,569 1,571 1,573 57.166,574 1.504,575 3.776,576 4.399,577 4.577,578 4.629,579 4.682,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,590 1,591 199.421,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.5,606 1,607 0.777,608 104.655,609 -0.009,610 -0.162,611 0.059,612 -0.049,613 -0.176,614 0.005,615 0.102,616 -0.04,617 0.192,618 0.089,619 0.15,620 0.144,621 -0.119,622 -0.051,623 0.035,624 0.057,625 0.02,626 0.07,627 0.037,628 0.112,629 -0.021,630 0.035,631 0.029,632 0.004,633 -0.245,634 -0.02,635 -0.262,636 -0.115,637 -0.158,638 -0.177,639 -0.051,640 -0.255,641 -0.231,642 -0.337,643 -0.075,644 -0.319,645 0.009,646 0.038,647 -0.129,648 -0.091,649 -0.215,650 -0.126,651 0.325,652 -0.004,653 0.401,654 0.179,655 0.404,656 0.281,657 1.24,658 2.088,659 0.826,660 15.981,661 1.007,662 1.135,663 2.216,664 4.91,665 0.686,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.665,678 305.38,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 18.4,693 1,697 1,699 5,703 4,704 6,705 5,709 3,710 1,711 21,722 1,731 38,733 21,734 1,735 26,737 41,738 16,739 13,740 3,741 3,746 4,747 6,752 2,758 1,761 13,762 3,777 1,778 1,781 15,782 6,783 2,784 7,790 7,794 0.5,802 1,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,858 1,877 11.5,878 7.617,879 4.944,880 2.291,881 4.316,882 1.577,883 1.03,884 3.119,885 11.795,886 3.624,887 4.341,888 5.068,889 5.772,890 6.396,891 6.819,892 7.316,893 7.841,894 8.264,895 8.596,896 1,897 40,898 8.426,900 3.617,901 7.674,902 16.039,904 13.24,905 2.174,906 50,910 153.024,911 89.639,912 118.479,917 89.639,918 153.024,919 118.479,920 17.65,922 61.326,923 120.834,924 41.294,925 2.328,926 117.711,928 153.024,929 208.118,933 82.398,934 70.627,937 54.901,938 69.412,939 83.805,941 153.024,942 118.479,943 89.639,946 153.024,947 16.847,948 74.569,950 116.702,951 153.024,952 118.479,953 89.639,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.049,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 13.891,975 5.165,976 2.184,977 3.159,978 116.702,979 10.675,980 21.824,984 2.111,985 1.865,986 32.897,987 361.143,988 36.5,999 38.247,1000 43.149,1001 0.287,1002 0.72,1003 0.838,1004 0.872,1005 0.882,1006 0.892,1007 4.862,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 5.027,1014 6.632,1015 4.256,1016 6.113,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.956,1023 7.667,1024 3.895,1025 7.453,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.398,1032 10.825,1033 5.832,1034 8.836,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.195,1041 12.713,1042 6.308,1043 10.255,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 10.095,1050 15.399,1051 7.738,1052 11.699,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.297,1059 17.635,1060 8.588,1061 13.165,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.976,1068 20.172,1069 9.829,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.365,1077 22.553,1078 10.847,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.954,1086 25.048,1087 12.021,1088 2.554,1089 9.372,1090 21.934,1091 4.737,1092 13.51,1093 17.426,1095 27.49,1096 13.112,1097 2.367,1098 8.561,1099 23.83,1100 4.324,1101 14.7,1102 18.982,1104 29.975,1105 14.266,1106 1.744,1107 7.453,1108 25.732,1109 3.298,1110 15.861,1111 20.49,1113 32.444,1114 15.391,1115 1.618,1116 4.819,1117 27.64,1118 3.179,1119 17.047,1120 22.034,1122 34.929,1123 16.542,1124 1.579,1125 4.487,1126 29.553,1127 2.427,1128 18.225,1129 23.56,1131 37.41,1132 17.684,1133 4990,1134 8289,1135 17.512,1136 26.086,1137 40.362,1138 39.93,1139 41.515,1140 40.002,1141 39.997,1142 56.095,1144 120.33,1145 38.192,1146 5.429,1147 5.376,1148 6.727,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.22,1155 10.072,1156 1.552,1157 1.536,1158 1.597,1159 1.539,1160 1.538,1161 2.157,1163 4.628,1164 1.469,1165 4.152,1166 4.196,1167 4.133,1168 4.028,1169 5.26,1170 4.047,1171 3.972,1172 4.017,1173 3.943,1174 3.826,1175 5.071,1176 3.852,1177 3.578,1178 3.655,1179 3.445,1180 3.412,1181 4.857,1182 3.404,1183 3.435,1184 3.489,1185 3.364,1186 3.29,1187 4.531,1188 3.303,1189 3.151,1190 3.241,1191 3.044,1192 2.931,1193 4.32,1194 2.953,1195 2.997,1196 3.103,1197 2.881,1198 2.767,1199 4.119,1200 2.778,1201 2.919,1202 3.009,1203 2.821,1204 2.678,1205 4.034,1206 2.712,1207 2.874,1208 2.991,1209 2.524,1210 2.618,1211 3.683,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.165,1217 0.128,1218 4.762,1219 0.182,1220 3.376,1222 7.039,1223 0.465,1224 4.303,1225 0.124,1226 3.339,1227 4.737,1229 12.088,1230 3.22,1231 2.01,1232 1.983,1233 2.072,1234 2.115,1235 1.18,1236 2.104,1237 1.819,1238 1.773,1239 1.948,1240 2.019,1241 1.14,1242 1.992,1243 1.638,1244 1.573,1245 1.796,1246 1.844,1247 0.865,1248 1.839,1249 1.406,1250 1.351,1251 1.562,1252 1.581,1253 0.534,1254 1.582,1255 1.085,1256 1.018,1257 1.417,1258 1.362,1259 0.469,1260 1.341,1261 0.934,1262 0.838,1263 1.245,1264 1.239,1265 0.257,1266 1.308,1267 0.912,1268 0.804,1269 1.167,1270 1.197,1271 0.146,1272 1.191,1273 0.816,1274 0.742,1275 1.045,1276 1.094,1277 0.034,1278 1.089,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.112,1293 6.088,1299 0.167,1305 25.257,1306 57.166,1307 143.505,1308 167.157,1309 173.911,1310 175.911,1311 177.911,1312 27.631,1313 7.478,1314 95.4,1315 95.4,1316 23,1317 12.676,1318 4.459,1319 3.524,1320 31.639,1321 67,1322 68,1323 0.235,1324 155.888,1325 245.56,1326 372.126,1327 16621,1329 15.974,1330 0.695,1331 0.557,1332 15.974,1333 12.802,1334 11.148,1335 0.429,1336 0.283,1337 7.236,1338 10.685,1339 7.023,1340 5.862,1341 11.148,1342 7.347,1343 10.335,1344 0.272,1345 0.147,1346 10.335,1347 5.604,1348 8.979,1349 0.166,1350 0.069,1351 8.979,1352 3.75,1353 7.939,1354 0.104,1355 0.035,1356 7.939,1357 2.668,1358 6.765,1359 0.067,1360 0.018,1361 6.765,1362 1.862,1363 0.352,1364 69.938,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 359.183,1370 140.878,1371 357.046,1372 508.95,1373 336,1374 156,1375 402.223,1376 170.349,1377 407.18,1378 601.04,1379 384,1380 6.686}
{0 CHEMBL1241775,1 1.536,2 8.043,3 0.935,4 0.875,5 84.309,6 8.28,7 0.808,8 3.763,9 3.899,10 3.431,11 3.265,12 4.971,13 3.286,14 4.251,15 4.438,16 3.814,17 3.637,18 5.414,19 3.653,20 4.416,21 4.618,22 3.883,23 3.738,24 5.578,25 3.744,26 4.481,27 4.706,28 3.826,29 3.749,30 5.63,31 3.727,32 4.413,33 4.626,34 3.666,35 3.706,36 5.483,37 3.657,38 4.359,39 4.567,40 3.63,41 3.631,42 5.521,43 3.577,44 4.434,45 4.707,46 3.414,47 3.51,48 5.494,49 3.418,50 4.23,51 4.55,52 3.13,53 3.209,54 5.187,55 3.11,56 0.081,57 0.67,58 6.196,59 2.547,60 8.925,61 3.309,62 0.234,63 1.019,64 12.238,65 4.137,66 21.257,67 5.698,68 0.286,69 1.158,70 14.991,71 4.601,72 22.743,73 6.452,74 0.385,75 1.167,76 17.211,77 5.279,78 34.357,79 7.463,80 0.289,81 1.083,82 15.248,83 5.031,84 24.194,85 6.939,86 0.264,87 1.026,88 14.114,89 5.133,90 28.254,91 7.11,92 0.376,93 0.957,94 18.784,95 5.372,96 41.74,97 8.061,98 0.348,99 0.71,100 17.883,101 4.622,102 35.045,103 7.372,104 11,105 38,106 0.272,107 0.674,108 0.786,109 0.818,110 0.827,111 0.827,112 3.19,113 0.832,114 -3.26,115 -3.25,116 -3.12,119 40.5,120 2,127 1,142 1,143 2,145 3,146 2,147 1,148 1,149 1,161 1,163 1,164 1,165 1,166 1,172 1,174 3,175 9,177 1,178 1,180 1,183 2,185 1,186 3,187 7,195 1,198 3,199 7,201 3,202 3,204 1,207 2,209 1,211 2,212 3,217 1,220 2,222 1,223 4,224 3,226 1,227 1,229 2,232 2,234 2,236 3,237 2,239 1,240 1,249 2,250 2,252 1,253 1,263 2,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.264,282 9.487,283 9.059,284 16.082,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.221,291 7.5,292 4.27,293 13.554,294 3.673,295 1.395,296 0.764,297 0.581,298 0.527,299 0.527,300 3.888,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 20.122,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50,331 185,332 4.762,333 3.376,334 7.039,335 4.302,336 3.339,337 4.737,339 12.088,340 3.217,341 4.396,342 2.923,343 6.247,344 3.867,345 2.913,346 4.324,348 9.372,349 2.778,350 3.85,351 2.664,352 6.069,353 3.507,354 2.554,355 3.298,357 8.561,358 2.431,359 3.744,360 2.399,361 5.712,362 3.322,363 2.367,364 3.179,366 7.453,367 2.259,368 3.118,369 1.822,370 4.82,371 2.685,372 1.744,373 2.427,375 4.819,376 1.638,377 3.08,378 1.618,379 4.531,380 2.538,381 1.618,382 2.368,384 4.487,385 1.487,386 3.016,387 1.579,388 4.367,389 2.518,390 1.579,391 2.141,393 4.088,394 1.477,395 2.86,396 1.368,397 3.864,398 2.319,399 1.368,400 2.035,402 2.999,403 1.298,404 2.527,405 1.059,406 3.614,407 2.003,408 1.058,409 1.539,411 2.733,412 0.997,413 2.186,414 0.856,415 3.486,416 1.784,417 0.827,418 1.077,420 2.06,421 0.79,422 2.085,423 0.639,424 3.162,425 1.556,426 0.632,427 0.922,428 1.506,429 0.583,430 1.084,431 -0.144,432 2.682,433 0.649,434 -0.273,435 -0.348,436 -0.643,437 -0.25,438 1.03,439 -0.409,440 2.425,441 0.52,442 -0.415,443 -0.587,445 -1.037,446 -0.387,447 0.882,448 -0.618,449 2.262,450 0.322,451 -0.618,452 -0.927,454 -1.598,455 -0.58,456 0.644,457 -0.776,458 2.229,459 0.122,460 -0.811,461 -1,463 -2,464 -0.754,465 10.7,466 0.465,467 0.61,468 0.027,469 35,470 1.522,471 18.5,472 0.804,473 16.5,474 0.717,475 15.56,476 0.677,477 23.5,478 0.635,479 23.579,480 1.025,481 6.664,482 0.29,483 4.484,484 0.195,485 0.131,487 0.411,493 0.903,494 1.429,495 0.686,496 1.07,497 1.035,498 0.878,499 0.883,500 1.117,501 0.653,502 0.838,503 0.691,504 0.725,505 1.123,506 1.181,507 0.841,508 0.91,509 0.825,510 0.836,511 0.998,512 0.888,513 0.929,514 0.861,515 0.967,516 0.878,517 1.168,518 1.059,519 1.188,520 1.111,521 1.033,522 1.146,523 0.811,524 1.184,525 1.117,526 1.342,527 1.049,528 1.299,529 1.017,530 0.932,531 1.134,532 1.063,533 1.356,534 1.111,535 0.881,536 0.647,537 0.794,538 0.642,539 0.742,540 0.69,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 14644,553 2.141,554 37.8,556 2,558 4,559 2,561 6,564 1.663,565 2,566 3.014,567 0.407,569 1,571 1,573 56.843,574 1.536,575 3.814,576 4.446,577 4.628,578 4.682,579 4.682,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,591 192.75,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.5,606 1,607 0.777,608 104.655,609 -0.048,610 -0.25,611 0.058,612 -0.092,613 -0.179,614 -0.013,615 0.095,616 -0.022,617 0.209,618 0.117,619 0.148,620 0.173,621 -0.089,622 -0.111,623 0.052,624 0.022,625 0.05,626 0.057,627 0.036,628 0.134,629 0.014,630 0.084,631 0.043,632 0.052,633 -0.223,634 -0.028,635 -0.284,636 -0.144,637 -0.171,638 -0.211,639 0.098,640 -0.163,641 -0.215,642 -0.362,643 0.001,644 -0.353,645 0.003,646 -0.042,647 -0.073,648 -0.096,649 -0.174,650 -0.099,651 0.15,652 0.13,653 0.393,654 0.354,655 0.295,656 0.409,657 1.267,658 2.068,659 0.826,660 15.981,661 1.013,662 1.141,663 2.03,664 4.121,665 0.685,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.669,678 306.37,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 21.6,693 1,697 1,699 6,703 4,704 5,705 6,709 3,710 1,711 21,722 1,731 37,733 21,735 26,737 40,738 15,739 12,746 4,747 6,752 2,758 1,761 12,762 3,777 1,778 1,781 14,782 7,783 2,784 8,790 8,794 0.5,802 1,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,858 1,877 11.5,878 7.483,879 4.944,880 2.214,881 4.316,882 1.577,883 1.027,884 3.085,885 11.795,886 3.624,887 4.341,888 5.068,889 5.772,890 6.396,891 6.819,892 7.316,893 7.841,894 8.264,895 8.596,896 1,897 40,898 8.416,900 3.615,901 7.717,902 15.909,904 13.048,905 2.217,906 51,910 141.253,911 79.305,912 135.264,917 79.305,918 141.253,919 135.264,920 17.65,922 42.373,923 149.39,924 49.912,925 2.328,926 94.169,928 141.253,929 214.57,933 72.342,934 70.627,937 61.804,938 50.46,939 100.591,941 141.253,942 135.264,943 79.305,946 141.253,947 16.418,948 64.664,950 133.488,951 141.253,952 135.264,953 79.305,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.05,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 13.83,975 5.13,976 2.165,977 2.73,978 133.488,979 8.316,980 25.913,984 1.909,985 1.837,986 32.897,987 355.823,988 36.5,999 37.465,1000 42.232,1001 0.295,1002 0.732,1003 0.853,1004 0.888,1005 0.899,1006 0.899,1007 4.862,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 5.027,1014 6.632,1015 4.243,1016 6.113,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.956,1023 7.667,1024 3.884,1025 7.453,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.398,1032 10.825,1033 5.807,1034 8.836,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.195,1041 12.713,1042 6.288,1043 10.255,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 10.095,1050 15.399,1051 7.707,1052 11.699,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.297,1059 17.635,1060 8.561,1061 13.165,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.976,1068 20.172,1069 9.795,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.365,1077 22.553,1078 10.815,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.954,1086 25.048,1087 11.985,1088 2.554,1089 9.372,1090 21.934,1091 4.737,1092 13.51,1093 17.426,1095 27.49,1096 13.078,1097 2.367,1098 8.561,1099 23.83,1100 4.324,1101 14.7,1102 18.982,1104 29.975,1105 14.23,1106 1.744,1107 7.453,1108 25.732,1109 3.298,1110 15.861,1111 20.49,1113 32.444,1114 15.356,1115 1.618,1116 4.819,1117 27.64,1118 3.179,1119 17.047,1120 22.034,1122 34.929,1123 16.507,1124 1.579,1125 4.487,1126 29.553,1127 2.427,1128 18.225,1129 23.56,1131 37.41,1132 17.649,1133 4990,1134 8487,1135 17.512,1136 25.33,1137 40.362,1138 39.93,1139 41.515,1140 39.987,1141 39.997,1142 56.095,1144 120.33,1145 37.91,1146 5.429,1147 5.376,1148 6.727,1149 5.375,1150 5.339,1151 7.737,1153 19.555,1154 5.175,1155 10.072,1156 1.552,1157 1.536,1158 1.597,1159 1.538,1160 1.538,1161 2.157,1163 4.628,1164 1.458,1165 4.145,1166 4.193,1167 4.129,1168 4,1169 5.264,1170 4.026,1171 3.956,1172 4.007,1173 3.933,1174 3.791,1175 5.126,1176 3.821,1177 3.578,1178 3.655,1179 3.445,1180 3.412,1181 4.857,1182 3.403,1183 3.426,1184 3.482,1185 3.359,1186 3.275,1187 4.544,1188 3.29,1189 3.133,1190 3.229,1191 3.029,1192 2.882,1193 4.418,1194 2.913,1195 2.985,1196 3.093,1197 2.87,1198 2.679,1199 4.157,1200 2.718,1201 2.874,1202 3.009,1203 2.791,1204 2.622,1205 4.036,1206 2.652,1207 2.858,1208 2.939,1209 2.524,1210 2.618,1211 3.69,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.165,1217 0.128,1218 4.762,1219 0.182,1220 3.376,1222 7.039,1223 0.465,1224 4.302,1225 0.124,1226 3.339,1227 4.737,1229 12.088,1230 3.217,1231 1.966,1232 1.933,1233 2.016,1234 2.106,1235 1.15,1236 2.082,1237 1.815,1238 1.767,1239 1.947,1240 2.019,1241 1.086,1242 1.991,1243 1.637,1244 1.572,1245 1.793,1246 1.844,1247 0.841,1248 1.839,1249 1.394,1250 1.339,1251 1.544,1252 1.575,1253 0.525,1254 1.572,1255 1.038,1256 0.962,1257 1.417,1258 1.352,1259 0.469,1260 1.328,1261 0.934,1262 0.804,1263 1.219,1264 1.239,1265 0.175,1266 1.308,1267 0.828,1268 0.747,1269 1.054,1270 1.17,1271 0.035,1272 1.147,1273 0.772,1274 0.697,1275 0.996,1276 1.052,1278 1.035,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.081,1293 6.068,1299 0.147,1305 24.752,1306 56.843,1307 141.124,1308 164.485,1309 171.24,1310 173.24,1311 173.24,1312 27.845,1313 7.478,1314 108.29,1315 108.29,1316 23,1317 12.676,1318 4.459,1319 3.524,1320 31.639,1321 67,1322 68,1323 0.235,1324 153.09,1325 239.26,1326 365.299,1327 16621,1329 15.974,1330 0.695,1331 0.551,1332 15.974,1333 12.672,1334 11.148,1335 0.429,1336 0.277,1337 7.08,1338 10.621,1339 6.881,1340 5.743,1341 11.148,1342 7.207,1343 10.335,1344 0.272,1345 0.144,1346 10.335,1347 5.468,1348 8.979,1349 0.166,1350 0.067,1351 8.979,1352 3.605,1353 7.939,1354 0.104,1355 0.033,1356 7.939,1357 2.545,1358 6.765,1359 0.067,1360 0.017,1361 6.765,1362 1.755,1363 0.352,1364 70.392,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 378.828,1370 142.654,1371 374.358,1372 531.39,1373 352,1374 156,1375 418.687,1376 172.375,1377 422.844,1378 624.3,1379 398,1380 5.77}
{0 CHEMBL1241776,1 1.638,2 8.083,3 1.378,4 1.9,5 90.791,6 8.241,7 0.593,8 3.81,9 3.942,10 3.466,11 3.319,12 5.022,13 3.337,14 4.306,15 4.48,16 3.865,17 3.716,18 5.497,19 3.723,20 4.508,21 4.695,22 3.952,23 3.841,24 5.704,25 3.842,26 4.586,27 4.796,28 3.915,29 3.843,30 5.815,31 3.822,32 4.505,33 4.714,34 3.728,35 3.785,36 5.6,37 3.735,38 4.448,39 4.649,40 3.691,41 3.716,42 5.635,43 3.663,44 4.516,45 4.772,46 3.533,47 3.621,48 5.6,49 3.538,50 4.368,51 4.659,52 3.376,53 3.371,54 5.537,55 3.27,56 0.099,57 0.68,58 6.659,59 2.814,60 9.671,61 3.569,62 0.278,63 1.049,64 12.902,65 4.823,66 24.748,67 6.457,68 0.29,69 1.22,70 16.594,71 5.602,72 27.448,73 7.528,74 0.468,75 1.251,76 19.254,77 6.196,78 49.884,79 8.409,80 0.308,81 1.149,82 17.219,83 5.813,84 31.192,85 7.908,86 0.314,87 1.088,88 15.899,89 5.708,90 36.506,91 7.798,92 0.407,93 1.044,94 20.022,95 6.052,96 41.893,97 8.858,98 0.479,99 0.814,100 19.761,101 6.129,102 59.874,103 9.335,104 18,105 40,106 0.287,107 0.717,108 0.818,109 0.839,110 0.839,111 0.839,112 3.23,113 0.836,114 -4.18,115 -4.13,116 -3.9,119 41,120 2,127 1,142 3,143 3,144 1,146 1,147 1,148 1,158 2,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 10,177 1,178 3,180 2,183 6,185 1,186 1,187 8,192 1,195 4,198 3,199 11,201 3,202 3,204 3,207 4,209 1,212 7,217 3,220 2,222 2,223 2,224 8,227 1,229 5,232 4,234 4,236 2,240 1,245 4,249 4,252 2,253 4,254 1,257 1,263 4,268 2,275 746,276 16.137,277 16.137,278 16.137,279 16.137,280 16.137,281 14.032,282 18.475,283 9.22,284 16.504,285 13.305,286 13.305,287 13.305,288 13.305,289 13.305,290 9.944,291 19.208,292 4.322,293 13.861,294 3.648,295 1.199,296 0.622,297 0.5,298 0.5,299 0.5,300 3.925,303 1,304 1,305 1,306 424,307 2.739,310 42.808,311 158.248,314 82.459,315 87.827,318 1.174,319 24.869,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.5,331 194,332 4.762,333 3.611,334 7.04,335 4.306,336 3.341,337 4.733,338 1.11,339 12.091,340 3.228,341 4.398,342 3.369,343 6.487,344 4.015,345 3.028,346 4.053,347 0.779,348 10.093,349 2.985,350 3.859,351 2.783,352 6.122,353 3.534,354 2.573,355 3.266,357 8.697,358 2.471,359 3.753,360 2.651,361 5.731,362 3.359,363 2.396,364 3.171,366 7.501,367 2.304,368 3.383,369 2.435,370 5.036,371 2.978,372 1.989,373 2.608,375 5.698,376 1.955,377 3.082,378 1.929,379 4.82,380 2.685,381 1.744,382 2.31,384 4.819,385 1.637,386 3.017,387 1.814,388 4.5,389 2.514,390 1.581,391 2.134,393 4.276,394 1.472,395 2.845,396 1.493,397 4.042,398 2.318,399 1.38,400 1.889,402 3.394,403 1.292,404 2.539,405 1.306,406 3.857,407 2.019,408 1.066,409 1.539,411 2.754,412 1.013,413 2.463,414 1.07,415 3.494,416 1.898,417 0.909,418 1.358,420 2.17,421 0.894,422 2.122,423 0.86,424 3.359,425 1.752,426 0.788,427 1.02,428 1.976,429 0.757,430 1.294,431 0.653,432 2.72,433 0.893,434 -0.105,435 -0.134,436 -0.25,437 -0.103,438 1.06,439 -0.12,440 2.431,441 0.618,442 -0.299,443 -0.385,445 -0.696,446 -0.274,447 0.932,448 -0.249,449 2.379,450 0.425,451 -0.533,452 -0.741,454 -1.325,455 -0.508,456 0.695,457 -0.556,458 2.27,459 0.232,460 -0.762,461 -1,463 -2,464 -0.733,465 11.133,466 0.464,467 0.699,468 0.029,469 34.75,470 1.448,471 18,472 0.75,473 16.75,474 0.698,475 17.293,476 0.721,477 24.867,478 0.638,479 25.027,480 1.043,481 6.697,482 0.279,483 4.862,484 0.203,485 0.156,487 0.44,493 0.823,494 1.323,495 0.701,496 1.002,497 0.74,498 0.849,499 0.654,500 1.017,501 0.645,502 0.844,503 0.545,504 0.755,505 1.082,506 1.204,507 0.846,508 0.964,509 0.876,510 0.87,511 1.013,512 0.918,513 0.966,514 0.913,515 1.013,516 0.927,517 1.104,518 1.124,519 1.162,520 1.117,521 0.86,522 1.135,523 0.874,524 1.212,525 1.127,526 1.267,527 0.873,528 1.25,529 0.908,530 1,531 1.109,532 1.103,533 1.042,534 1.129,535 0.334,536 0.648,537 0.658,538 0.869,539 0.524,540 0.846,541 4.5,542 0.025,543 3.333,544 2.229,545 2.02,546 0.917,547 0.485,548 0.515,549 0.25,550 0.098,551 5754,552 16767,553 2.11,554 38.5,556 4,558 2,559 3,561 6,564 1.675,565 1.946,566 3.024,567 1.08,568 1,569 1,571 1,573 63.876,574 1.638,575 4.086,576 4.663,577 4.785,578 4.785,579 4.785,580 2.418,581 4.502,582 4.56,583 3.149,584 869.246,585 7.901,586 9773.04,587 1,588 1,591 206.131,592 1.483,593 4.504,594 0.167,595 0.008,596 0.083,597 0.052,598 0.05,599 0.028,600 0.016,601 0.021,602 0.012,603 0.008,604 0.444,605 0.5,606 1,607 0.813,608 110.828,609 -0.071,610 -0.131,611 0.04,612 -0.017,613 -0.127,614 0.026,615 0.175,616 0.094,617 0.198,618 0.134,619 0.109,620 0.162,621 -0.146,622 -0.139,623 0.038,624 0.003,625 -0.019,626 0.052,627 0.008,628 0.11,629 -0.028,630 0.038,631 -0.003,632 0.003,633 -0.247,634 -0.099,635 -0.253,636 -0.139,637 -0.109,638 -0.181,639 -0.019,640 -0.188,641 -0.224,642 -0.285,643 -0.022,644 -0.296,645 0.003,646 -0.077,647 -0.083,648 -0.136,649 -0.145,650 -0.123,651 0.631,652 0.152,653 0.485,654 0.147,655 0.49,656 0.256,657 1.862,658 5.036,659 0.792,660 16.743,661 1.015,662 1.137,663 2.953,664 8.723,665 0.681,666 3.332,667 3.714,668 4.06,669 4.394,670 4.673,671 4.804,672 4.927,673 5.094,674 5.198,675 5.215,676 5.064,677 0.666,678 321.38,679 3.332,680 4.905,681 5.796,682 6.713,683 7.625,684 8.548,685 9.467,686 10.393,687 11.315,688 12.242,689 17.9,693 1,696 1,697 1,698 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,718 1,722 1,731 39,733 18,734 1,735 27,737 42,738 16,739 11,740 3,741 3,742 2,746 4,747 6,752 2,758 1,761 13,762 3,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 15,782 7,783 3,784 8,790 7,791 1,794 0.5,795 1,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 24,849 1,855 1,858 1,870 2.6,873 1,877 12.333,878 7.75,879 5.139,880 2.314,881 3.664,882 1.483,883 1.025,884 3.323,885 11.25,886 3.638,887 4.314,888 5.016,889 5.702,890 6.294,891 6.723,892 7.193,893 7.673,894 8.047,895 8.388,896 1,897 43,898 8.821,900 3.852,901 7.84,902 16.539,904 13.715,905 2.34,906 56.167,910 141.253,911 86.522,912 119.704,914 25.145,917 86.522,918 166.398,919 119.704,920 17.65,921 18.011,922 61.326,923 113.96,924 41.638,925 2.328,926 117.711,928 141.253,929 206.226,930 25.145,933 70.627,934 95.772,937 67.314,938 88.678,939 50.234,941 141.253,942 144.849,943 86.522,946 141.253,947 23.205,948 65.093,949 18.011,950 125.062,951 141.253,952 144.849,953 86.522,955 0.596,956 0.363,957 0.206,958 0.118,959 22,960 10,961 0.048,962 2,963 2,964 1.211,965 3.47,966 213.151,967 0.211,968 19,969 108.039,974 14.79,975 5.392,976 2.29,977 1.36,978 143.072,979 6.852,980 13.055,984 2.91,985 1.806,986 50.908,987 372.624,988 37,993 12.036,995 1.388,996 4.16,997 -0.196,999 39.574,1000 44.358,1001 0.31,1002 0.773,1003 0.882,1004 0.905,1005 0.905,1006 0.905,1007 4.898,1008 1.38,1009 5.814,1010 4.276,1011 4.394,1012 5.001,1013 1.543,1014 6.706,1015 4.322,1016 6.146,1017 1.066,1018 7.425,1019 3.394,1020 4.111,1021 4.945,1023 7.763,1024 4.03,1025 7.487,1026 0.909,1027 9.137,1028 2.754,1029 6.061,1030 7.316,1031 1.564,1032 10.919,1033 5.93,1034 8.868,1035 0.788,1036 10.909,1037 2.17,1038 6.594,1039 8.12,1041 12.812,1042 6.455,1043 10.283,1044 -0.105,1045 12.718,1046 1.976,1047 8.048,1048 9.974,1049 1.647,1050 15.499,1051 7.866,1052 11.724,1053 -0.299,1054 14.553,1055 -0.25,1056 8.945,1057 11.179,1059 17.732,1060 8.746,1061 13.186,1062 -0.533,1063 16.407,1064 -0.696,1065 10.217,1066 12.833,1067 1.773,1068 20.266,1069 9.981,1070 3.341,1071 -0.762,1072 18.275,1073 -1.325,1074 11.275,1075 14.223,1077 22.641,1078 11.015,1079 3.028,1080 12.091,1081 20.155,1082 -2,1083 12.482,1084 15.801,1085 1.924,1086 25.13,1087 12.188,1088 2.573,1089 10.093,1090 22.043,1091 4.733,1092 13.611,1093 17.275,1095 27.564,1096 13.288,1097 2.396,1098 8.697,1099 23.939,1100 4.053,1101 14.799,1102 18.827,1103 2.093,1104 30.043,1105 14.443,1106 1.989,1107 7.501,1108 25.842,1109 3.266,1110 15.959,1111 20.339,1113 32.504,1114 15.572,1115 1.744,1116 5.698,1117 27.749,1118 3.171,1119 17.144,1120 21.883,1121 2.272,1122 34.983,1123 16.723,1124 1.581,1125 4.819,1126 29.662,1127 2.608,1128 18.32,1129 23.413,1131 37.457,1132 17.866,1133 5511,1134 9549,1135 17.918,1136 26.54,1137 42.297,1138 43.238,1139 43.791,1140 41.571,1141 41.588,1142 56.159,1143 3.779,1144 126.937,1145 40.016,1146 5.588,1147 5.611,1148 6.585,1149 5.379,1150 5.341,1151 7.733,1152 2.22,1153 19.56,1154 5.228,1155 12.013,1156 1.567,1157 1.601,1158 1.622,1159 1.54,1160 1.54,1161 2.08,1162 0.14,1163 4.701,1164 1.482,1165 4.14,1166 4.185,1167 4.122,1168 4.009,1169 7.429,1170 4.03,1171 3.922,1172 3.958,1173 3.89,1174 3.79,1175 5.256,1176 3.811,1177 3.578,1178 3.655,1179 3.445,1180 3.409,1181 4.898,1182 3.402,1183 3.438,1184 3.497,1185 3.376,1186 3.224,1187 4.81,1188 3.258,1189 3.155,1190 3.244,1191 3.061,1192 2.922,1193 4.528,1194 2.949,1195 3.035,1196 3.107,1197 2.963,1198 2.813,1199 4.337,1200 2.839,1201 2.979,1202 3.056,1203 2.864,1204 2.677,1205 4.048,1206 2.715,1207 2.874,1208 3.009,1209 2.512,1210 2.618,1211 3.709,1212 2.57,1213 0.176,1214 0.134,1215 0.261,1216 0.159,1217 0.124,1218 4.762,1219 0.175,1220 3.611,1221 0.041,1222 7.04,1223 0.448,1224 4.306,1225 0.12,1226 3.341,1227 4.733,1228 1.11,1229 12.091,1230 3.228,1231 1.965,1232 1.945,1233 2.027,1234 2.066,1235 1.168,1236 2.053,1237 1.811,1238 1.764,1239 1.947,1240 2.013,1241 1.136,1242 1.987,1243 1.628,1244 1.564,1245 1.785,1246 1.839,1247 0.855,1248 1.832,1249 1.358,1250 1.302,1251 1.496,1252 1.6,1253 0.469,1254 1.58,1255 1.072,1256 1.01,1257 1.417,1258 1.368,1259 0.44,1260 1.342,1261 0.949,1262 0.888,1263 1.239,1264 1.239,1265 0.248,1266 1.308,1267 0.934,1268 0.804,1269 1.173,1270 1.212,1271 0.131,1272 1.198,1273 0.823,1274 0.743,1275 1.051,1276 1.147,1277 0.032,1278 1.122,1279 4.007,1281 5.371,1282 2.398,1283 6.94,1284 4.844,1285 8.606,1286 7.081,1287 10.321,1289 4.035,1293 6.066,1296 2.583,1299 0.112,1305 25.972,1306 63.876,1307 159.36,1308 181.866,1309 186.621,1310 186.621,1311 186.621,1312 35.723,1313 7.586,1314 115.37,1315 115.37,1316 23,1317 12.747,1318 4.248,1319 3.459,1320 33.621,1321 72,1322 66,1323 0.233,1324 159.884,1325 265.25,1326 381.877,1327 18886,1329 16.845,1330 0.702,1331 0.549,1332 16.845,1333 13.186,1334 11.559,1335 0.428,1336 0.279,1337 7.398,1338 11.032,1339 7.196,1340 5.994,1341 11.559,1342 7.525,1343 10.862,1344 0.272,1345 0.145,1346 10.862,1347 5.808,1348 9.453,1349 0.166,1350 0.069,1351 9.453,1352 3.921,1353 8.303,1354 0.104,1355 0.035,1356 8.303,1357 2.774,1358 6.997,1359 0.066,1360 0.018,1361 6.997,1362 1.931,1363 0.35,1364 72.98,1365 0.236,1366 22.675,1367 0.692,1368 134,1369 403.606,1370 149.148,1371 395.841,1372 553.97,1373 370,1374 164,1375 429.366,1376 180.12,1377 433.366,1378 640.78,1379 408,1380 7.097}
{0 CHEMBL1241857,1 1.684,2 9.308,3 1.9,4 3.609,5 94.342,6 8.172,7 0.414,8 3.903,9 4.01,10 3.554,11 3.384,12 5.086,13 3.412,14 4.421,15 4.585,16 3.908,17 3.749,18 5.571,19 3.769,20 4.546,21 4.704,22 4.023,23 3.855,24 5.746,25 3.873,26 4.609,27 4.768,28 4.04,29 3.848,30 5.892,31 3.869,32 4.68,33 4.868,34 3.907,35 3.864,36 5.81,37 3.842,38 4.645,39 4.849,40 3.844,41 3.811,42 5.789,43 3.77,44 4.602,45 4.822,46 3.731,47 3.732,48 5.694,49 3.694,50 4.492,51 4.702,52 3.56,53 3.658,54 5.617,55 3.593,56 0.095,57 0.676,58 7.416,59 3.461,60 7.224,61 4.146,62 0.46,63 1.049,64 15.913,65 5.551,66 28.476,67 6.744,68 0.435,69 1.186,70 17.275,71 6.172,72 29.347,73 7.86,74 0.579,75 1.239,76 18.617,77 6.187,78 48.022,79 7.688,80 0.628,81 1.239,82 22.002,83 7.097,84 43.684,85 8.999,86 0.595,87 1.178,88 21.739,89 7.424,90 50.146,91 9.831,92 0.599,93 1.092,94 22.314,95 6.882,96 50.511,97 9.13,98 0.531,99 0.998,100 18.899,101 6.253,102 44.379,103 8.091,104 14,105 41,106 0.291,107 0.67,108 0.796,109 0.844,110 0.86,111 0.884,112 3.305,113 0.838,114 -2.9,115 -2.91,116 -2.81,119 41.9,124 2,125 2,142 4,143 2,144 3,145 2,158 2,159 1,172 4,174 2,175 7,178 3,180 1,183 2,186 2,187 8,192 1,198 5,199 8,202 2,204 2,211 2,212 2,215 1,217 1,223 5,224 4,227 1,229 1,232 1,236 1,237 3,245 2,249 2,250 5,258 3,262 1,263 3,271 2,275 950,276 18.085,277 18.085,278 18.085,279 18.085,280 18.085,281 16.11,282 20.879,283 10.558,284 18.732,285 14.19,286 14.19,287 14.19,288 14.19,289 14.19,290 11.035,291 26.799,292 4.793,293 15.051,294 3.742,295 1.552,296 0.826,297 0.547,298 0.454,299 0.314,300 4.003,303 1,304 1,305 1,306 526,307 3.162,310 43.83,311 183.848,314 79.568,315 91.858,318 1.331,319 27.835,321 1,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 57.5,331 242,332 4.637,333 3.69,334 6.95,335 4.26,336 3.312,337 4.302,338 1.373,339 11.782,340 3.144,341 4.191,342 3.511,343 6.436,344 3.842,345 2.889,346 3.687,347 1.022,348 9.903,349 2.802,350 4.093,351 3.218,352 6.047,353 3.729,354 2.757,355 3.496,356 0.86,357 8.652,358 2.617,359 3.663,360 2.68,361 5.757,362 3.214,363 2.271,364 2.961,365 0.86,366 7.602,367 2.134,368 3.393,369 2.457,370 5.312,371 3.006,372 2.079,373 2.612,374 0.859,375 6.402,376 1.922,377 3.229,378 2.178,379 4.569,380 2.736,381 1.764,382 2.475,383 0.418,384 4.468,385 1.707,386 2.962,387 2.081,388 4.23,389 2.52,390 1.584,391 2.096,392 0.051,393 3.853,394 1.476,395 2.561,396 1.442,397 3.746,398 2.05,399 1.075,400 1.513,402 2.626,403 1.04,404 2.5,405 1.324,406 3.595,407 1.964,408 1.031,409 1.5,411 2.346,412 0.958,413 2.21,414 1.306,415 3.441,416 1.955,417 1,418 1.071,420 2.137,421 0.952,422 2.067,423 1.182,424 3.296,425 1.795,426 0.902,427 1.051,428 2.136,429 0.799,430 1.942,431 1,432 3.247,433 1.583,434 0.666,435 0.808,436 1.502,437 0.606,438 1.51,439 0.93,440 2.943,441 1.23,442 0.361,443 0.399,445 0.556,446 0.31,447 1.213,448 0.617,449 2.623,450 0.879,451 -0.054,452 -0.064,454 -0.12,455 -0.05,456 0.863,457 0.075,458 2.421,459 0.451,460 -0.468,461 -0.549,463 -0.854,464 -0.422,465 12,466 0.462,467 0.534,468 0.021,469 36.5,470 1.404,471 18,472 0.692,473 18.5,474 0.712,475 18.552,476 0.714,477 27.6,478 0.642,479 27.778,480 1.068,481 7.579,482 0.292,483 5.145,484 0.198,485 0.111,487 0.367,493 0.852,494 1.519,495 0.682,496 1.193,497 0.62,498 0.947,499 1.122,500 0.845,501 0.808,502 0.719,503 0.784,504 0.698,505 0.95,506 1.311,507 0.814,508 1.042,509 0.905,510 0.912,511 1.099,512 1.168,513 0.998,514 1.069,515 1.137,516 1.016,517 1.249,518 1.069,519 1.152,520 1.025,521 1.177,522 1.057,523 0.899,524 0.987,525 1.018,526 1.082,527 1.255,528 1.082,529 1.167,530 0.921,531 1.02,532 0.871,533 1.076,534 0.898,535 1.104,536 0.89,537 1.243,538 1.04,539 1.009,540 1.137,541 4,542 0.054,543 3.333,544 1.681,545 1.836,546 1.024,547 0.689,548 0.453,549 0.25,550 0.092,551 7324,552 21431,553 2.124,554 39.5,556 14,558 2,559 1,564 1.697,565 2,566 3.195,567 -0.256,568 1,569 1,571 1,573 72.419,574 1.684,575 3.874,576 4.6,577 4.88,578 4.973,579 5.112,580 2.643,581 4.316,582 4.672,583 3.317,584 1078.13,585 8.128,586 12948.5,588 1,590 1,591 233.329,592 1.37,593 4.637,594 0.138,595 0.005,596 0.081,597 0.037,598 0.042,599 0.027,600 0.02,601 0.014,602 0.01,603 0.005,604 0.379,605 0.33,606 1,607 0.825,608 124.499,609 -0.078,610 -0.352,611 0.067,612 -0.175,613 -0.045,614 -0.048,615 -0.066,616 0.249,617 0.09,618 0.236,619 -0.037,620 0.198,621 0.014,622 -0.224,623 0.065,624 -0.078,625 0.02,626 -0.005,627 0.024,628 -0.062,629 -0.095,630 -0.153,631 0.05,632 -0.157,633 -0.142,634 -0.054,635 -0.194,636 -0.077,637 -0.143,638 -0.134,639 0.093,640 -0.003,641 -0.045,642 -0.113,643 -0.034,644 -0.116,645 -0.104,646 0.022,648 0.094,649 -0.011,650 0.084,651 -0.112,652 0.094,653 -0.269,654 -0.074,655 -0.009,656 -0.172,657 1.951,658 5.537,659 0.731,660 20.349,661 1.018,662 1.13,663 1.672,664 2.796,665 0.673,666 3.401,667 3.738,668 4.094,669 4.407,670 4.654,671 4.812,672 5.011,673 5.159,674 5.209,675 5.198,676 5.561,677 0.661,678 351.4,679 3.401,680 4.949,681 5.832,682 6.732,683 7.635,684 8.545,685 9.456,686 10.372,687 11.288,688 12.207,689 11.6,692 1,696 1,698 2,699 1,704 6,705 1,709 5,711 12,718 1,729 2,731 43,733 15,734 1,735 29,737 46,738 18,739 11,740 4,741 2,742 3,746 4,747 7,750 1,761 14,762 4,766 3,771 1,774 2,775 3,777 1,778 1,781 17,782 8,783 1,784 8,790 5,791 1,794 0.5,795 3,805 1,811 1,812 3,815 1,816 1,836 1,840 2,844 2,848 26,854 2,855 1,856 2,859 1,870 7,873 1,875 2,877 13,878 8.55,879 5.861,880 2.396,881 2.801,882 1.367,883 0.994,884 4.41,885 10.436,886 3.664,887 4.248,888 4.864,889 5.442,890 5.966,891 6.263,892 6.654,893 6.969,894 7.253,895 7.471,896 1,897 45,898 9.578,900 4.082,901 7.801,902 18.005,904 14.516,905 2.301,906 59.833,910 188.338,911 110.524,912 71.492,914 47.145,917 110.524,918 235.482,919 71.492,920 21.766,921 22.222,922 37.905,923 72.505,924 96.405,925 1.899,926 164.795,928 188.338,929 182.015,930 47.145,933 188.338,934 47.145,937 77.012,938 88.218,939 16.786,941 188.338,942 118.636,943 110.524,946 188.338,947 32.758,948 80.89,949 18.011,950 97.501,951 188.338,952 118.636,953 110.524,955 0.575,956 0.364,957 0.209,958 0.11,959 21,960 9,961 0.087,962 4,963 2,964 1.211,965 3.691,966 232.402,967 0.211,968 19,969 122.211,974 16.701,975 6.865,976 2.889,978 118.636,979 10.261,980 3.977,984 2.966,986 18.011,987 417.498,988 38,993 12.537,996 9.199,997 0.889,999 43.793,1000 48.611,1001 0.31,1002 0.714,1003 0.848,1004 0.899,1005 0.916,1006 0.942,1007 4.913,1008 1.075,1009 5.82,1010 3.853,1011 4.419,1012 4.934,1013 2.405,1014 6.688,1015 4.311,1016 6.119,1017 1.031,1018 7.412,1019 2.626,1020 4.007,1021 4.705,1022 0.81,1023 7.711,1024 3.873,1025 7.438,1026 1,1027 9.108,1028 2.346,1029 6.057,1030 7.109,1031 2.442,1032 10.861,1033 5.856,1034 8.796,1035 0.902,1036 10.868,1037 2.137,1038 6.524,1039 7.725,1040 1.47,1041 12.718,1042 6.285,1043 10.189,1044 0.666,1045 12.667,1046 2.136,1047 8.008,1048 9.579,1049 2.645,1050 15.388,1051 7.719,1052 11.605,1053 0.361,1054 14.492,1055 1.502,1056 8.864,1057 10.592,1058 2.124,1059 17.577,1060 8.528,1061 13.039,1062 -0.054,1063 16.336,1064 0.556,1065 10.139,1066 12.218,1067 2.987,1068 20.095,1069 9.757,1070 3.312,1071 -0.468,1072 18.193,1073 -0.12,1074 11.17,1075 13.434,1076 2.779,1077 22.427,1078 10.737,1079 2.889,1080 11.782,1081 20.061,1082 -0.854,1083 12.371,1084 14.958,1085 3.437,1086 24.897,1087 11.89,1088 2.757,1089 9.903,1090 21.937,1091 4.302,1092 13.48,1093 16.282,1094 3.431,1095 27.295,1096 12.946,1097 2.271,1098 8.652,1099 23.819,1100 3.687,1101 14.658,1102 17.76,1103 3.961,1104 29.75,1105 14.075,1106 2.079,1107 7.602,1108 25.708,1109 3.496,1110 15.804,1111 19.142,1112 4.081,1113 32.179,1114 15.167,1115 1.764,1116 6.402,1117 27.602,1118 2.961,1119 16.978,1120 20.601,1121 4.531,1122 34.633,1123 16.29,1124 1.584,1125 4.468,1126 29.5,1127 2.612,1128 18.142,1129 22.014,1130 4.726,1131 37.078,1132 17.4,1133 7015,1134 12129,1135 19.592,1136 28.96,1137 43.848,1138 45.152,1139 45.62,1140 43.292,1141 43.378,1142 55.942,1143 10.889,1144 127.927,1145 40.936,1146 5.571,1147 5.69,1148 6.752,1149 5.34,1150 5.312,1151 7.302,1152 2.484,1153 19.469,1154 5.144,1155 11.116,1156 1.512,1157 1.557,1158 1.573,1159 1.493,1160 1.496,1161 1.929,1162 0.375,1163 4.411,1164 1.412,1165 4.043,1166 4.079,1167 4.015,1168 3.919,1169 7.429,1170 3.937,1171 3.878,1172 3.911,1173 3.829,1174 3.769,1175 5.011,1176 3.779,1177 3.683,1178 3.729,1179 3.613,1180 3.493,1181 4.876,1182 3.515,1183 3.391,1184 3.452,1185 3.329,1186 3.137,1187 4.713,1188 3.178,1189 3.246,1190 3.312,1191 3.077,1192 2.989,1193 4.501,1194 2.997,1195 3.235,1196 3.3,1197 3.062,1198 2.955,1199 4.371,1200 2.97,1201 3.029,1202 3.076,1203 2.934,1204 2.829,1205 4.169,1206 2.838,1207 2.779,1208 2.854,1209 2.627,1210 2.634,1211 3.822,1212 2.621,1213 0.16,1214 0.127,1215 0.24,1216 0.147,1217 0.114,1218 4.637,1219 0.148,1220 3.69,1221 0.047,1222 6.95,1223 0.406,1224 4.26,1225 0.108,1226 3.312,1227 4.302,1228 1.373,1229 11.782,1230 3.144,1231 1.922,1232 1.904,1233 1.978,1234 2.053,1235 1.124,1236 2.028,1237 1.837,1238 1.806,1239 1.939,1240 1.968,1241 1.019,1242 1.96,1243 1.489,1244 1.418,1245 1.731,1246 1.729,1247 0.962,1248 1.726,1249 1.367,1250 1.311,1251 1.587,1252 1.627,1253 0.598,1254 1.615,1255 1.204,1256 1.146,1257 1.575,1258 1.522,1259 0.574,1260 1.538,1261 1.18,1262 1.11,1263 1.439,1264 1.475,1265 0.481,1266 1.474,1267 1.071,1268 1.004,1269 1.243,1270 1.326,1271 0.282,1272 1.308,1273 0.852,1274 0.787,1275 1.054,1276 1.066,1277 0.117,1278 1.061,1279 4.078,1281 5.407,1282 2.398,1283 6.956,1284 4.595,1285 8.609,1286 6.629,1287 10.32,1289 3.131,1295 1.278,1296 2.856,1297 10.849,1300 1.891,1305 28.412,1306 72.419,1307 166.6,1308 197.82,1309 209.82,1310 213.82,1311 219.82,1312 38.246,1313 7.635,1314 90.63,1315 90.63,1316 23,1317 12.717,1318 4,1319 3.322,1320 37.786,1321 86,1322 92,1323 0.219,1324 173.473,1325 306.33,1326 415.033,1327 20339,1329 18.096,1330 0.696,1331 0.554,1332 18.096,1333 14.392,1334 12.724,1335 0.439,1336 0.279,1337 7.911,1338 12.007,1339 7.72,1340 6.4,1341 12.724,1342 8.1,1343 11.011,1344 0.269,1345 0.139,1346 11.011,1347 5.685,1348 10.056,1349 0.17,1350 0.072,1351 10.056,1352 4.224,1353 8.829,1354 0.109,1355 0.037,1356 8.829,1357 3.019,1358 7.036,1359 0.068,1360 0.019,1361 7.036,1362 1.977,1363 0.332,1364 81.459,1365 0.226,1366 24.53,1367 0.635,1368 140,1369 468.12,1370 158.157,1371 440.821,1372 608.07,1373 416,1374 170,1375 450.544,1376 189.989,1377 454.224,1378 671.56,1379 425,1380 7.959}
{0 CHEMBL1241858,1 1.693,2 9.12,3 2.255,4 5.087,5 98.771,6 8.156,7 0.571,8 3.916,9 4.046,10 3.555,11 3.432,12 5.036,13 3.424,14 4.449,15 4.627,16 3.948,17 3.861,18 5.51,19 3.825,20 4.735,21 4.955,22 4.056,23 3.991,24 5.783,25 3.923,26 4.78,27 5.039,28 3.913,29 3.924,30 5.778,31 3.843,32 4.638,33 4.88,34 3.853,35 3.844,36 5.659,37 3.789,38 4.602,39 4.816,40 3.909,41 3.861,42 5.7,43 3.81,44 4.623,45 4.843,46 3.87,47 3.857,48 5.732,49 3.764,50 4.595,51 4.837,52 3.706,53 3.724,54 5.678,55 3.597,56 0.108,57 0.711,58 8.408,59 3.551,60 11.911,61 4.684,62 0.229,63 1.129,64 16.42,65 6.248,66 20.539,67 8.555,68 0.384,69 1.331,70 26.834,71 8.546,72 43.15,73 12.057,74 0.54,75 1.338,76 30.753,77 8.496,78 47.618,79 12.37,80 0.411,81 1.233,82 22.781,83 6.683,84 37.272,85 9.95,86 0.408,87 1.212,88 21.083,89 6.253,90 36.659,91 9.078,92 0.411,93 1.142,94 22.895,95 7.554,96 47.832,97 10.82,98 0.5,99 1.002,100 25.104,101 7.237,102 59.709,103 10.239,104 10,105 40,106 0.293,107 0.691,108 0.825,109 0.897,110 0.897,111 0.897,112 3.268,113 0.93,114 -4.62,115 -4.54,116 -4.27,119 38.6,121 2,122 1,125 3,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 6,177 1,178 1,180 4,183 5,185 1,186 1,187 5,192 4,195 5,198 2,199 8,201 3,202 4,204 2,207 3,209 1,212 7,215 2,217 3,220 2,222 2,224 5,227 2,229 3,232 5,234 2,237 2,240 2,241 1,242 2,244 1,245 4,247 1,250 3,253 1,254 1,255 5,257 1,258 3,260 2,268 2,271 2,275 865,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.039,282 16.752,283 9.976,284 17.45,285 13.827,286 13.827,287 13.827,288 13.827,289 13.827,290 10.889,291 16.208,292 4.758,293 14.641,294 3.766,295 1.462,296 0.688,297 0.273,298 0.273,299 0.273,300 3.966,301 1,303 1,304 1,305 1,306 498,307 2.345,310 48.484,311 201.759,314 93.016,318 1.344,319 26.007,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.333,331 228,332 4.747,333 3.356,334 7.003,335 4.283,336 3.318,337 4.724,338 0.4,339 11.965,340 3.202,341 4.212,342 3.169,343 6.087,344 3.757,345 2.819,346 3.878,348 8.784,349 2.644,350 3.765,351 2.675,352 5.824,353 3.545,354 2.574,355 3.156,357 7.872,358 2.497,359 3.678,360 2.461,361 5.611,362 3.262,363 2.329,364 3.083,366 7.261,367 2.124,368 3.416,369 2.316,370 5.266,371 3.155,372 2.211,373 2.471,375 6.509,376 2.081,377 2.999,378 1.881,379 4.471,380 2.473,381 1.532,382 2.236,384 4.169,385 1.442,386 2.82,387 1.696,388 4.432,389 2.44,390 1.497,391 1.948,393 3.949,394 1.404,395 2.748,396 1.533,397 4.038,398 2.346,399 1.414,400 1.829,402 3.512,403 1.279,404 2.493,405 1.349,406 3.691,407 2.195,408 1.24,409 1.491,411 2.989,412 1.181,413 2.365,414 1.136,415 3.557,416 1.956,417 1.011,418 1.344,420 2.508,421 0.954,422 2,423 1.078,424 3.247,425 1.934,426 1,427 1,428 2.136,429 0.92,430 1.373,431 0.599,432 2.841,433 0.944,434 0.109,435 0.131,436 0.241,437 0.077,438 1.163,439 0.101,440 2.736,441 0.903,442 -0.037,443 -0.042,445 -0.099,446 -0.035,447 0.961,448 -0.193,449 2.411,450 0.585,451 -0.333,452 -0.413,454 -0.773,455 -0.305,456 0.778,457 -0.291,458 2.375,459 0.35,460 -0.595,461 -0.768,463 -1.604,464 -0.539,465 11.948,466 0.478,467 0.627,468 0.025,469 32,470 1.28,471 15,472 0.6,473 17,474 0.68,475 20.969,476 0.839,477 27.052,478 0.615,479 22.583,480 0.903,481 5.977,482 0.239,483 6.154,484 0.246,485 0.121,487 0.368,493 0.908,494 1.288,495 0.645,496 0.921,497 0.94,498 0.86,499 0.763,500 1.126,501 0.694,502 0.934,503 0.553,504 0.911,505 0.802,506 1.232,507 0.807,508 1.061,509 0.659,510 0.99,511 0.891,512 0.879,513 0.907,514 0.878,515 0.74,516 0.882,517 0.941,518 1.04,519 0.689,520 0.791,521 0.731,522 0.84,523 1.019,524 1.096,525 0.85,526 0.949,527 1.029,528 1.003,529 0.719,530 1.157,531 0.845,532 1.112,533 0.797,534 1.125,535 1.043,536 0.946,537 1.022,538 1.109,539 1.298,540 1.175,541 4.5,542 0.066,543 2.889,544 1.979,545 1.673,546 0.744,547 0.7,548 0.455,549 0.185,550 0.134,551 6723,552 19008,553 2.13,554 43.2,555 2,556 9,558 1,559 4,561 2,562 1,564 1.687,565 2,566 3.171,567 1.815,568 1,569 1,573 74.508,574 1.693,575 3.998,576 4.772,577 5.187,578 5.187,579 5.187,580 2.663,581 4.164,582 4.613,583 3.291,584 987.174,585 8.013,586 11579.5,588 1,590 1,591 240.215,592 1.388,593 4.579,594 0.161,595 0.008,596 0.072,597 0.048,598 0.045,599 0.021,600 0.019,601 0.014,602 0.008,603 0.01,604 0.407,605 0.17,606 1,607 0.553,608 118.208,609 -0.093,610 -0.038,611 0.01,612 0.053,613 -0.11,614 0.055,615 0.007,616 0.035,617 0.038,618 0.031,619 0.09,620 0.029,621 0.062,622 -0.217,623 0.078,624 -0.08,625 0.153,626 -0.011,627 0.03,628 0.103,629 0.014,630 0.051,631 0.057,632 0.077,633 -0.069,634 0.012,635 0.036,636 0.099,637 0.024,638 0.087,639 -0.094,640 0.019,641 -0.088,642 -0.053,643 -0.131,644 -0.102,645 0.153,646 -0.141,647 0.003,648 -0.142,649 0.132,650 -0.153,651 0.011,653 -0.053,654 -0.142,655 -0.087,656 -0.203,657 1.659,658 3.933,659 0.84,660 20.496,661 1.01,662 1.137,663 3.386,664 11.463,665 0.674,666 3.367,667 3.714,668 4.025,669 4.331,670 4.605,671 4.71,672 4.89,673 5.056,674 5.112,675 5.112,676 5.461,677 0.645,678 358.87,679 3.367,680 4.92,681 5.79,682 6.686,683 7.579,684 8.485,685 9.39,686 10.302,687 11.214,688 12.131,689 13.6,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 44,733 16,734 1,735 28,737 47,738 17,739 11,740 3,741 3,746 4,747 5,748 1,755 2,756 1,758 2,761 11,762 6,763 1,777 1,778 1,781 19,782 6,783 4,784 8,785 1,790 6,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,835 1,840 3,845 1,848 25,849 1,853 1,854 5,855 1,858 1,869 1,870 2.3,872 1,877 12.5,878 7.643,879 5.417,880 2.649,881 3.051,882 1.41,883 0.994,884 4.501,885 10.489,886 3.611,887 4.259,888 4.912,889 5.567,890 6.152,891 6.549,892 7.016,893 7.48,894 7.76,895 8.022,896 1,897 41,898 9.225,900 4.016,901 7.744,902 17.672,904 14.955,905 2.244,906 56.111,910 176.567,911 64.493,912 102.919,913 39.149,914 42.683,917 64.493,918 258.399,919 102.919,921 11.386,922 79.337,923 106.404,924 22.411,925 2.328,926 164.795,927 39.149,928 176.567,929 167.411,930 42.683,931 39.149,933 141.253,934 77.997,937 44.264,938 72.913,939 89.383,941 176.567,942 145.602,943 103.641,946 176.567,947 27.445,948 38.824,949 18.011,950 164.963,951 176.567,952 145.602,953 103.641,955 0.586,956 0.349,957 0.19,958 0.11,959 21,960 9,961 0.064,962 3,963 1,964 1.095,965 3.651,966 218.75,967 0.095,968 21,969 116.096,974 16.578,975 6.788,976 3.172,977 1.413,978 143.825,979 6.492,980 13.238,984 2.068,985 1.895,986 93.591,987 425.81,988 36,999 44.447,1000 50.05,1001 0.31,1002 0.732,1003 0.874,1004 0.95,1005 0.95,1006 0.95,1007 4.86,1008 1.414,1009 5.784,1010 3.949,1011 4.394,1012 4.945,1013 0.278,1014 6.629,1015 4.287,1016 6.078,1017 1.24,1018 7.362,1019 3.512,1020 4.007,1021 4.856,1023 7.594,1024 3.833,1025 7.402,1026 1.011,1027 9.043,1028 2.989,1029 6.014,1030 7.23,1031 0.05,1032 10.748,1033 5.824,1034 8.767,1035 1,1036 10.786,1037 2.508,1038 6.463,1039 8.021,1041 12.592,1042 6.215,1043 10.169,1044 0.109,1045 12.569,1046 2.136,1047 7.946,1048 9.879,1049 0.008,1050 15.277,1051 7.681,1052 11.599,1053 -0.037,1054 14.382,1055 0.241,1056 8.786,1057 11.081,1059 17.496,1060 8.474,1061 13.051,1062 -0.333,1063 16.216,1064 -0.099,1065 10.066,1066 12.739,1067 0.001,1068 20.033,1069 9.733,1070 3.318,1071 -0.595,1072 18.068,1073 -0.773,1074 11.09,1075 14.13,1077 22.409,1078 10.718,1079 2.819,1080 11.965,1081 19.934,1082 -1.604,1083 12.297,1084 15.712,1086 24.902,1087 11.898,1088 2.574,1089 8.784,1090 21.811,1091 4.724,1092 13.407,1093 17.188,1095 27.341,1096 12.974,1097 2.329,1098 7.872,1099 23.699,1100 3.878,1101 14.592,1102 18.744,1104 29.823,1105 14.129,1106 2.211,1107 7.261,1108 25.595,1109 3.156,1110 15.744,1111 20.259,1113 32.287,1114 15.247,1115 1.532,1116 6.509,1117 27.499,1118 3.083,1119 16.925,1120 21.807,1122 34.767,1123 16.399,1124 1.497,1125 4.169,1126 29.408,1127 2.471,1128 18.097,1129 23.34,1131 37.241,1132 17.537,1133 6407,1134 10953,1135 18.898,1136 29.676,1137 42.373,1138 43.05,1139 43.599,1140 42.125,1141 42.108,1142 54.583,1143 0.8,1144 123.793,1145 39.612,1146 5.747,1147 5.356,1148 6.805,1149 5.356,1150 5.318,1151 7.724,1152 0.8,1153 19.353,1154 5.202,1155 10.851,1156 1.513,1157 1.537,1158 1.557,1159 1.504,1160 1.504,1161 1.949,1162 0.029,1163 4.421,1164 1.415,1165 4.135,1166 4.182,1167 4.131,1168 3.998,1169 6.471,1170 4.019,1171 3.856,1172 3.903,1173 3.947,1174 3.757,1175 5.255,1176 3.761,1177 3.807,1178 3.848,1179 3.695,1180 3.67,1181 4.891,1182 3.669,1183 3.387,1184 3.478,1185 3.364,1186 3.146,1187 4.809,1188 3.16,1189 3.152,1190 3.219,1191 3.253,1192 2.995,1193 4.517,1194 3.001,1195 3.043,1196 3.15,1197 2.937,1198 2.799,1199 4.37,1200 2.801,1201 3,1202 3.11,1203 2.86,1204 2.746,1205 4.203,1206 2.749,1207 2.931,1208 2.971,1209 2.808,1210 2.72,1211 3.71,1212 2.731,1213 0.17,1214 0.12,1215 0.25,1216 0.153,1217 0.118,1218 4.747,1219 0.169,1220 3.356,1221 0.014,1222 7.003,1223 0.427,1224 4.283,1225 0.114,1226 3.318,1227 4.724,1228 0.4,1229 11.965,1230 3.202,1231 1.925,1232 1.907,1233 2.066,1234 2.061,1235 1.436,1236 2.06,1237 1.863,1238 1.805,1239 1.977,1240 2.006,1241 1.118,1242 2.002,1243 1.738,1244 1.695,1245 1.813,1246 1.913,1247 0.986,1248 1.897,1249 1.398,1250 1.323,1251 1.62,1252 1.662,1253 0.827,1254 1.644,1255 1.122,1256 1.063,1257 1.395,1258 1.349,1259 0.602,1260 1.375,1261 1.02,1262 0.918,1263 1.289,1264 1.312,1265 0.481,1266 1.322,1267 0.906,1268 0.839,1269 1.151,1270 1.221,1271 0.209,1272 1.205,1273 0.883,1274 0.82,1275 1.147,1276 1.143,1277 0.125,1278 1.136,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.844,1285 8.549,1286 7.066,1287 10.227,1290 5.92,1293 6.103,1294 9.933,1295 5.129,1296 3.42,1299 0.5,1305 28.358,1306 74.508,1307 175.897,1308 209.95,1309 228.215,1310 228.215,1311 228.215,1312 40.022,1313 7.438,1314 101.88,1315 101.88,1316 23,1317 12.643,1318 4.087,1319 3.17,1320 35.646,1321 81,1322 84,1323 0.22,1324 176.87,1325 292.04,1326 423.322,1327 15639,1328 2.3,1329 17.389,1330 0.696,1331 0.575,1332 17.889,1333 14.37,1334 12.131,1335 0.433,1336 0.31,1337 8.209,1338 11.382,1339 8.05,1340 6.628,1341 12.42,1342 8.676,1343 11.076,1344 0.277,1345 0.169,1346 11.447,1347 6.774,1348 9.628,1349 0.175,1350 0.09,1351 10.057,1352 4.928,1353 8.06,1354 0.107,1355 0.046,1356 8.212,1357 3.462,1358 6.83,1359 0.069,1360 0.025,1361 7.024,1362 2.493,1363 0.333,1364 79.219,1365 0.23,1366 23.787,1367 0.643,1368 136,1369 380.579,1370 164.114,1371 403.494,1372 549.05,1373 376,1374 163,1375 393.961,1376 189.481,1377 407.83,1378 601.57,1379 384,1380 4}
{0 CHEMBL1241859,1 1.693,2 9.12,3 2.25,4 5.062,5 98.869,6 8.156,7 0.571,8 3.916,9 4.046,10 3.555,11 3.432,12 5.036,13 3.424,14 4.449,15 4.627,16 3.948,17 3.861,18 5.511,19 3.825,20 4.735,21 4.955,22 4.054,23 3.996,24 5.781,25 3.927,26 4.777,27 5.03,28 3.914,29 3.935,30 5.77,31 3.85,32 4.666,33 4.918,34 3.851,35 3.852,36 5.669,37 3.794,38 4.592,39 4.799,40 3.907,41 3.871,42 5.697,43 3.818,44 4.632,45 4.854,46 3.873,47 3.868,48 5.741,49 3.771,50 4.59,51 4.828,52 3.7,53 3.733,54 5.651,55 3.604,56 0.108,57 0.711,58 8.408,59 3.551,60 11.911,61 4.684,62 0.229,63 1.129,64 16.42,65 6.248,66 20.441,67 8.555,68 0.392,69 1.33,70 26.88,71 8.554,72 43.658,73 12.051,74 0.488,75 1.339,76 30.265,77 8.672,78 45.853,79 12.579,80 0.452,81 1.249,82 24.087,83 6.789,84 39.052,85 10.195,86 0.398,87 1.21,88 20.512,89 6.266,90 36.371,91 9.009,92 0.431,93 1.152,94 23.114,95 7.726,96 48.446,97 11.014,98 0.44,99 0.997,100 24.797,101 7.336,102 56.363,103 10.392,104 10,105 40,106 0.293,107 0.691,108 0.81,109 0.85,110 0.85,111 0.85,112 3.268,113 0.93,114 -4.62,115 -4.54,116 -4.27,119 38.6,121 2,122 1,125 3,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 6,177 1,178 1,180 4,183 5,185 1,186 1,187 6,192 4,195 5,198 2,199 8,201 3,202 3,204 2,207 3,209 1,212 7,215 2,217 3,220 3,222 2,224 4,227 2,229 2,232 5,234 2,237 3,240 3,241 1,242 3,244 1,245 5,247 2,250 2,255 3,258 2,260 1,266 1,267 1,268 4,270 1,271 1,275 865,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.039,282 16.752,283 9.976,284 17.458,285 13.827,286 13.827,287 13.827,288 13.827,289 13.827,290 10.889,291 13.708,292 4.758,293 14.646,294 3.766,295 1.462,296 0.779,297 0.545,298 0.545,299 0.545,300 3.966,301 1,303 1,304 1,305 1,306 498,307 2.345,310 48.484,311 201.759,314 93.016,318 1.344,319 25.952,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.333,331 228,332 4.747,333 3.356,334 7.003,335 4.283,336 3.318,337 4.724,338 0.4,339 11.965,340 3.203,341 4.212,342 3.169,343 6.087,344 3.758,345 2.819,346 3.878,348 8.784,349 2.645,350 3.765,351 2.665,352 5.824,353 3.548,354 2.574,355 3.156,357 7.872,358 2.505,359 3.678,360 2.46,361 5.611,362 3.262,363 2.329,364 3.083,366 7.261,367 2.124,368 3.416,369 2.309,370 5.266,371 3.155,372 2.211,373 2.471,375 6.509,376 2.082,377 2.999,378 1.882,379 4.471,380 2.46,381 1.532,382 2.236,384 4.169,385 1.419,386 2.82,387 1.751,388 4.432,389 2.435,390 1.497,391 1.948,393 3.949,394 1.4,395 2.748,396 1.534,397 4.038,398 2.346,399 1.414,400 1.829,402 3.512,403 1.279,404 2.493,405 1.365,406 3.691,407 2.186,408 1.24,409 1.491,411 2.989,412 1.169,413 2.365,414 1.078,415 3.557,416 1.984,417 1.011,418 1.344,420 2.508,421 0.983,422 2,423 1.077,424 3.247,425 1.934,426 1,427 1,428 2.136,429 0.92,430 1.373,431 0.599,432 2.841,433 0.944,434 0.109,435 0.131,436 0.241,437 0.077,438 1.163,439 0.093,440 2.736,441 0.903,442 -0.037,443 -0.042,445 -0.099,446 -0.035,447 0.961,448 -0.201,449 2.411,450 0.586,451 -0.333,452 -0.413,454 -0.773,455 -0.305,456 0.778,457 -0.294,458 2.375,459 0.35,460 -0.595,461 -0.768,463 -1.604,464 -0.539,465 11.948,466 0.478,467 0.627,468 0.025,469 32,470 1.28,471 15,472 0.6,473 17,474 0.68,475 21.007,476 0.84,477 27.052,478 0.615,479 22.546,480 0.902,481 5.986,482 0.239,483 6.145,484 0.246,485 0.121,487 0.368,493 0.908,494 1.288,495 0.645,496 0.921,497 0.94,498 0.86,499 0.763,500 1.126,501 0.694,502 0.934,503 0.551,504 0.911,505 0.811,506 1.19,507 0.811,508 1.038,509 0.665,510 0.977,511 0.854,512 0.985,513 0.906,514 0.957,515 0.721,516 0.938,517 0.971,518 0.938,519 0.682,520 0.708,521 0.738,522 0.778,523 1.017,524 1.091,525 0.871,526 0.974,527 1.054,528 1.035,529 0.685,530 1.097,531 0.847,532 1.107,533 0.781,534 1.131,535 1.036,536 1.076,537 1.014,538 1.172,539 1.309,540 1.208,541 4.5,542 0.066,543 2.889,544 1.979,545 1.673,546 0.744,547 0.7,548 0.455,549 0.185,550 0.134,551 6723,552 19164,553 2.13,554 43.2,556 9,558 1,559 4,561 5,564 1.687,565 2,566 3.171,567 1.815,568 1,569 1,573 74.508,574 1.693,575 3.998,576 4.681,577 4.914,578 4.914,579 4.914,580 2.663,581 4.164,582 4.613,583 3.291,584 987.174,585 8.013,586 11579.5,588 1,590 1,591 240.215,592 1.388,593 4.579,594 0.161,595 0.008,596 0.072,597 0.048,598 0.045,599 0.021,600 0.019,601 0.014,602 0.008,603 0.01,604 0.407,605 0.17,606 1,607 0.553,608 118.208,609 -0.093,610 -0.038,611 0.01,612 0.053,613 -0.11,614 0.055,615 0.007,616 0.035,617 0.038,618 0.031,619 0.092,620 0.029,621 0.052,622 -0.174,623 0.074,624 -0.056,625 0.148,626 0.003,627 0.033,628 -0.005,629 0.007,630 -0.013,631 0.067,632 0.032,633 -0.086,634 0.099,635 0.054,636 0.176,637 0.012,638 0.15,639 -0.104,640 0.037,641 -0.117,642 -0.071,643 -0.15,644 -0.133,645 0.182,646 -0.081,647 -0.002,648 -0.136,649 0.14,650 -0.158,651 -0.021,652 -0.139,653 -0.05,654 -0.188,655 -0.113,656 -0.222,657 1.657,658 3.935,659 0.84,660 20.496,661 1.01,662 1.137,663 3.386,664 11.463,665 0.674,666 3.367,667 3.714,668 4.025,669 4.331,670 4.605,671 4.71,672 4.89,673 5.056,674 5.112,675 5.112,676 5.461,677 0.645,678 358.87,679 3.367,680 4.92,681 5.79,682 6.686,683 7.579,684 8.485,685 9.39,686 10.302,687 11.214,688 12.131,689 13.6,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 44,733 16,734 1,735 28,737 47,738 17,739 11,740 3,741 3,746 4,747 5,748 1,755 2,756 1,758 2,761 11,762 6,763 1,777 1,778 1,781 19,782 6,783 4,784 8,785 1,790 6,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,835 1,840 3,845 1,848 25,849 1,853 1,854 5,855 1,858 1,869 1,870 2.3,872 1,877 12.5,878 7.643,879 5.417,880 2.649,881 3.051,882 1.41,883 0.994,884 4.501,885 10.489,886 3.611,887 4.259,888 4.912,889 5.567,890 6.152,891 6.549,892 7.016,893 7.48,894 7.76,895 8.022,896 1,897 41,898 9.224,900 4.015,901 7.744,902 17.672,904 14.955,905 2.244,906 56.111,910 176.567,911 64.493,912 102.919,913 39.149,914 42.683,917 64.493,918 258.399,919 102.919,921 11.386,922 79.337,923 106.404,924 22.411,925 2.328,926 164.795,927 39.149,928 176.567,929 167.411,930 42.683,931 39.149,933 117.711,934 101.539,937 44.264,938 72.913,939 89.383,941 176.567,942 145.602,943 103.641,946 176.567,947 27.445,948 38.824,949 18.011,950 164.963,951 176.567,952 145.602,953 103.641,955 0.586,956 0.349,957 0.19,958 0.11,959 21,960 9,961 0.064,962 3,963 1,964 1.095,965 3.651,966 218.75,967 0.095,968 21,969 112.096,974 16.578,975 6.788,976 3.172,977 1.425,978 143.825,979 6.502,980 13.252,984 2.083,985 1.907,986 93.591,987 425.81,988 36,999 44.447,1000 50.05,1001 0.31,1002 0.732,1003 0.857,1004 0.9,1005 0.9,1006 0.9,1007 4.86,1008 1.414,1009 5.784,1010 3.949,1011 4.394,1012 4.945,1013 0.278,1014 6.629,1015 4.287,1016 6.078,1017 1.24,1018 7.362,1019 3.512,1020 4.007,1021 4.856,1023 7.594,1024 3.833,1025 7.402,1026 1.011,1027 9.043,1028 2.989,1029 6.014,1030 7.23,1031 0.05,1032 10.748,1033 5.825,1034 8.767,1035 1,1036 10.786,1037 2.508,1038 6.463,1039 8.021,1041 12.592,1042 6.217,1043 10.169,1044 0.109,1045 12.569,1046 2.136,1047 7.946,1048 9.879,1049 0.008,1050 15.277,1051 7.684,1052 11.599,1053 -0.037,1054 14.382,1055 0.241,1056 8.786,1057 11.081,1059 17.496,1060 8.477,1061 13.051,1062 -0.333,1063 16.216,1064 -0.099,1065 10.066,1066 12.739,1067 0.001,1068 20.033,1069 9.735,1070 3.318,1071 -0.595,1072 18.068,1073 -0.773,1074 11.09,1075 14.13,1077 22.409,1078 10.72,1079 2.819,1080 11.965,1081 19.934,1082 -1.604,1083 12.297,1084 15.712,1086 24.902,1087 11.901,1088 2.574,1089 8.784,1090 21.811,1091 4.724,1092 13.407,1093 17.188,1095 27.341,1096 12.976,1097 2.329,1098 7.872,1099 23.699,1100 3.878,1101 14.592,1102 18.744,1104 29.823,1105 14.132,1106 2.211,1107 7.261,1108 25.595,1109 3.156,1110 15.744,1111 20.259,1113 32.287,1114 15.249,1115 1.532,1116 6.509,1117 27.499,1118 3.083,1119 16.925,1120 21.807,1122 34.767,1123 16.4,1124 1.497,1125 4.169,1126 29.408,1127 2.471,1128 18.097,1129 23.34,1131 37.241,1132 17.539,1133 6407,1134 10991,1135 18.898,1136 29.676,1137 42.373,1138 43.045,1139 43.599,1140 42.132,1141 42.108,1142 54.583,1143 0.8,1144 123.793,1145 39.608,1146 5.747,1147 5.356,1148 6.805,1149 5.356,1150 5.318,1151 7.724,1152 0.8,1153 19.353,1154 5.203,1155 10.851,1156 1.513,1157 1.537,1158 1.557,1159 1.505,1160 1.504,1161 1.949,1162 0.029,1163 4.421,1164 1.415,1165 4.135,1166 4.182,1167 4.131,1168 3.998,1169 6.471,1170 4.019,1171 3.856,1172 3.903,1173 3.947,1174 3.759,1175 5.255,1176 3.762,1177 3.807,1178 3.848,1179 3.696,1180 3.671,1181 4.891,1182 3.67,1183 3.376,1184 3.471,1185 3.364,1186 3.098,1187 4.808,1188 3.132,1189 3.126,1190 3.206,1191 3.247,1192 2.967,1193 4.517,1194 2.97,1195 3.111,1196 3.191,1197 2.917,1198 2.941,1199 4.37,1200 2.91,1201 2.991,1202 3.106,1203 2.866,1204 2.746,1205 4.205,1206 2.749,1207 2.93,1208 2.971,1209 2.845,1210 2.684,1211 3.727,1212 2.712,1213 0.17,1214 0.12,1215 0.25,1216 0.153,1217 0.118,1218 4.747,1219 0.169,1220 3.356,1221 0.014,1222 7.003,1223 0.427,1224 4.283,1225 0.114,1226 3.318,1227 4.724,1228 0.4,1229 11.965,1230 3.203,1231 1.925,1232 1.907,1233 2.067,1234 2.061,1235 1.442,1236 2.061,1237 1.865,1238 1.808,1239 1.977,1240 2.006,1241 1.118,1242 2.002,1243 1.737,1244 1.695,1245 1.809,1246 1.913,1247 0.924,1248 1.895,1249 1.37,1250 1.292,1251 1.567,1252 1.656,1253 0.825,1254 1.63,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.755,1260 1.429,1261 1.067,1262 1.011,1263 1.236,1264 1.307,1265 0.36,1266 1.302,1267 0.883,1268 0.839,1269 1.15,1270 1.22,1271 0.2,1272 1.203,1273 0.873,1274 0.777,1275 1.12,1276 1.136,1277 0.123,1278 1.131,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.844,1285 8.549,1286 7.066,1287 10.227,1290 5.921,1293 6.106,1294 9.935,1295 5.06,1296 3.374,1299 0.548,1305 28.358,1306 74.508,1307 175.897,1308 205.95,1309 216.215,1310 216.215,1311 216.215,1312 39.908,1313 7.438,1314 101.88,1315 101.88,1316 23,1317 12.643,1318 4.087,1319 3.17,1320 35.646,1321 81,1322 84,1323 0.22,1324 176.87,1325 292.04,1326 423.322,1327 15639,1328 2.3,1329 17.389,1330 0.696,1331 0.575,1332 17.889,1333 14.37,1334 12.131,1335 0.433,1336 0.31,1337 8.209,1338 11.378,1339 8.052,1340 6.622,1341 12.42,1342 8.676,1343 11.076,1344 0.277,1345 0.169,1346 11.447,1347 6.755,1348 9.628,1349 0.175,1350 0.091,1351 10.057,1352 4.988,1353 8.06,1354 0.107,1355 0.046,1356 8.212,1357 3.446,1358 6.83,1359 0.069,1360 0.025,1361 7.024,1362 2.499,1363 0.333,1364 79.219,1365 0.23,1366 23.787,1367 0.643,1368 136,1369 380.579,1370 164.114,1371 403.408,1372 549.01,1373 376,1374 163,1375 393.961,1376 189.314,1377 407.612,1378 601.17,1379 384,1380 5.575}
{0 CHEMBL1241860,1 1.739,2 8,3 2.391,4 5.717,5 83.37,6 8.315,7 0.667,8 3.711,9 3.836,10 3.361,11 3.227,12 4.978,13 3.241,14 4.201,15 4.374,16 3.745,17 3.598,18 5.425,19 3.606,20 4.407,21 4.596,22 3.858,23 3.711,24 5.68,25 3.721,26 4.523,27 4.738,28 3.851,29 3.714,30 5.929,31 3.707,32 4.414,33 4.627,34 3.628,35 3.647,36 5.608,37 3.607,38 4.312,39 4.504,40 3.586,41 3.584,42 5.55,43 3.539,44 4.432,45 4.696,46 3.368,47 3.471,48 5.726,49 3.367,50 4.229,51 4.538,52 2.997,53 3.1,54 5.366,55 2.981,56 0.107,57 0.652,58 5.915,59 2.881,60 9.061,61 3.468,62 0.254,63 1.009,64 11.753,65 4.737,66 29.764,67 6.005,68 0.33,69 1.224,70 15.132,71 5.386,72 28.859,73 6.831,74 0.623,75 1.251,76 19,77 6.087,78 83.533,79 7.813,80 0.449,81 1.108,82 16.379,83 5.254,84 52.402,85 6.915,86 0.289,87 1.069,88 13.286,89 5.147,90 26.865,91 6.756,92 0.573,93 1.037,94 19.257,95 5.753,96 75.221,97 8.338,98 0.429,99 0.764,100 19.092,101 5.882,102 52.725,103 8.242,104 30,105 35,106 0.313,107 0.711,108 0.799,109 0.823,110 0.833,111 0.833,112 3.148,113 0.845,114 -4.69,115 -4.61,116 -4.33,119 41.7,120 2,127 1,142 3,143 3,144 1,146 1,147 1,148 1,155 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 8,177 1,178 1,180 1,183 6,185 1,186 1,187 6,195 4,198 2,199 9,201 3,202 3,204 1,207 3,209 1,212 7,217 2,220 3,222 2,224 5,229 3,232 4,234 3,236 1,237 3,242 1,245 2,247 1,249 1,258 2,262 2,265 1,266 1,275 614,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.71,282 11.76,283 8.336,284 14.94,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.692,291 8.688,292 3.803,293 12.224,294 3.431,295 1.223,296 0.73,297 0.597,298 0.542,299 0.542,300 3.822,303 1,304 1,305 1,306 371,307 2.828,310 43.076,311 115.366,314 82.187,318 1.182,319 30.526,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49,331 176,332 4.76,333 3.384,334 7.039,335 4.302,336 3.338,337 4.732,339 12.087,340 3.218,341 4.249,342 3.213,343 6.197,344 3.83,345 2.858,346 3.917,348 9.078,349 2.773,350 3.823,351 2.735,352 6.004,353 3.499,354 2.542,355 3.222,357 8.342,358 2.43,359 3.707,360 2.639,361 5.697,362 3.31,363 2.344,364 3.121,366 7.397,367 2.261,368 3.04,369 2.395,370 4.82,371 2.684,372 1.743,373 2.273,375 4.818,376 1.637,377 3.001,378 1.822,379 4.502,380 2.501,381 1.542,382 2.13,384 4.244,385 1.467,386 2.88,387 1.621,388 4.148,389 2.408,390 1.461,391 2.011,393 3.648,394 1.368,395 2.554,396 1.451,397 3.86,398 2.028,399 1.077,400 1.562,402 2.764,403 1.021,404 2.289,405 1.054,406 3.493,407 1.82,408 0.836,409 1.077,411 2.067,412 0.817,413 2.106,414 0.843,415 2.952,416 1.613,417 0.56,418 0.853,420 0.985,421 0.581,422 1.184,423 0.4,424 2.597,425 0.728,426 -0.257,427 -0.345,428 -0.474,429 -0.244,430 1.056,431 -0.143,432 2.423,433 0.608,434 -0.311,435 -0.417,436 -0.695,437 -0.284,438 0.778,439 -0.422,440 2.265,441 0.332,442 -0.611,443 -0.815,445 -1.676,446 -0.575,447 0.604,448 -0.78,449 2.233,450 0.099,451 -0.846,452 -1,454 -2,455 -0.793,456 0.201,457 -1,458 2,460 -1,461 -1.147,463 -2.339,464 -1,465 10.119,466 0.46,467 0.648,468 0.029,469 30.5,470 1.386,471 16,472 0.727,473 14.5,474 0.659,475 15.75,476 0.716,477 23.481,478 0.652,479 22.327,480 1.015,481 6.068,482 0.276,483 4.456,484 0.203,485 0.2,487 0.435,491 1,493 0.637,494 1.112,495 0.675,496 1.02,497 0.609,498 0.886,499 0.676,500 1.006,501 0.636,502 0.882,503 0.594,504 0.776,505 0.966,506 1.226,507 0.838,508 1.006,509 0.764,510 0.898,511 0.939,512 0.96,513 0.938,514 0.9,515 0.847,516 0.906,517 0.991,518 0.923,519 1.157,520 0.974,521 0.818,522 1.063,523 0.76,524 1.248,525 1.115,526 1.369,527 0.714,528 1.341,529 0.719,530 0.799,531 1.13,532 1.076,533 0.759,534 1.179,535 1.007,536 1.021,537 0.799,538 0.944,539 1.114,540 0.861,541 4.5,542 0.012,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.386,549 0.204,550 0.066,551 4197,552 14123,553 2.017,554 38.9,556 4,558 2,559 2,561 6,564 1.652,565 1.833,566 2.976,567 0.393,568 1,569 1,571 1,573 62.601,574 1.739,575 3.947,576 4.44,577 4.572,578 4.628,579 4.628,580 2.461,581 4.278,582 4.429,583 3.1,584 716.165,585 7.646,586 7561.51,587 1,588 1,590 1,591 186.117,592 1.544,593 4.36,594 0.188,595 0.004,596 0.089,597 0.057,598 0.051,599 0.031,600 0.021,601 0.02,602 0.016,603 0.009,604 0.486,605 0.5,606 1,607 1.003,608 98.516,609 -0.032,610 -0.064,611 0.029,612 -0.013,613 -0.073,614 0.017,615 0.029,616 -0.019,617 0.184,618 0.102,619 0.021,620 0.162,621 -0.112,622 -0.178,623 0.033,624 -0.048,625 -0.02,626 0.022,627 0.064,628 0.062,629 0.017,630 0.034,631 0.105,632 0.018,633 -0.163,634 0.031,635 -0.251,636 -0.038,637 -0.081,638 -0.132,639 -0.033,640 -0.253,641 -0.263,642 -0.397,643 -0.053,644 -0.396,645 0.156,646 0.096,647 -0.097,648 -0.129,649 0.079,650 -0.17,651 0.113,652 -0.128,653 0.417,654 0.106,655 0.068,656 0.293,657 2.268,658 5.874,659 0.682,660 15.355,661 1.021,662 1.142,663 3.463,664 11.99,665 0.673,666 3.219,667 3.584,668 3.912,669 4.22,670 4.466,671 4.605,672 4.682,673 4.771,674 4.754,675 4.673,676 4.839,677 0.662,678 299.34,679 3.219,680 4.779,681 5.659,682 6.569,683 7.475,684 8.393,685 9.308,686 10.23,687 11.148,688 12.072,689 13.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,712 1,722 1,730 1,731 36,733 17,734 1,735 24,737 38,738 15,739 11,740 3,741 3,742 1,746 3,747 4,752 2,758 1,761 12,762 3,766 1,771 1,773 1,777 1,778 1,779 1,781 14,782 6,783 2,784 7,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 1,848 22,849 1,858 1,869 1,870 2.8,873 1,877 12,878 7.193,879 4.861,880 2.122,881 3.244,882 1.466,883 0.989,884 3.532,885 10.205,886 3.526,887 4.201,888 4.904,889 5.578,890 6.152,891 6.574,892 7.012,893 7.454,894 7.739,895 8.024,896 1,897 38,898 8.111,900 3.524,901 8.091,902 14.909,904 12.118,905 2.591,906 57,910 141.253,911 90.987,912 84.908,914 25.145,915 14.96,917 90.987,918 166.398,919 99.868,920 17.65,922 61.326,923 112.061,924 31.217,925 17.288,926 117.711,928 141.253,929 175.895,930 40.105,933 85.587,934 95.772,937 32.518,938 81.719,939 61.658,941 156.213,942 110.053,943 90.987,946 141.253,947 24.865,948 67.898,950 123.236,951 141.253,952 125.013,953 90.987,955 0.59,956 0.363,957 0.201,958 0.111,959 18,960 9,961 0.079,962 3,963 1,964 1.133,965 3.238,966 180.985,967 0.133,968 15,969 96.107,974 14.456,975 5.375,976 2.343,977 1.173,978 123.236,979 5.685,980 12.706,984 0.703,985 1.717,986 32.897,987 357.253,988 33,993 10.735,995 0.474,999 36.767,1000 41.117,1001 0.336,1002 0.764,1003 0.859,1004 0.884,1005 0.895,1006 0.895,1007 4.771,1008 1.077,1009 5.68,1010 3.648,1011 4.263,1012 4.887,1014 6.567,1015 4.185,1016 6.021,1017 0.836,1018 7.292,1019 2.764,1020 4.007,1021 4.856,1023 7.633,1024 3.883,1025 7.36,1026 0.56,1027 9.006,1028 2.067,1029 5.927,1030 7.224,1032 10.773,1033 5.78,1034 8.743,1035 -0.257,1036 10.777,1037 0.985,1038 6.479,1039 8.043,1041 12.67,1042 6.288,1043 10.16,1044 -0.311,1045 12.584,1046 -0.474,1047 7.912,1048 9.898,1050 15.354,1051 7.696,1052 11.603,1053 -0.611,1054 14.417,1055 -0.695,1056 8.817,1057 11.11,1059 17.595,1060 8.56,1061 13.066,1062 -0.846,1063 16.269,1064 -1.676,1065 10.077,1066 12.767,1068 20.136,1069 9.791,1070 3.338,1071 -1,1072 18.135,1073 -2,1074 11.139,1075 14.161,1077 22.522,1078 10.814,1079 2.858,1080 12.087,1081 20.014,1082 -2.339,1083 12.341,1084 15.743,1086 25.02,1087 11.984,1088 2.542,1089 9.078,1090 21.901,1091 4.732,1092 13.473,1093 17.221,1095 27.467,1096 13.077,1097 2.344,1098 8.342,1099 23.798,1100 3.917,1101 14.661,1102 18.776,1104 29.956,1105 14.23,1106 1.743,1107 7.397,1108 25.701,1109 3.222,1110 15.825,1111 20.292,1113 32.428,1114 15.356,1115 1.542,1116 4.818,1117 27.61,1118 3.121,1119 17.012,1120 21.84,1122 34.916,1123 16.507,1124 1.461,1125 4.244,1126 29.524,1127 2.273,1128 18.192,1129 23.374,1131 37.398,1132 17.651,1133 4232,1134 7878,1135 15.433,1136 24.228,1137 37.319,1138 38.795,1139 39.09,1140 36.741,1141 36.603,1142 49.797,1144 110.861,1145 35.146,1146 5.431,1147 5.384,1148 6.58,1149 5.374,1150 5.338,1151 7.732,1153 19.553,1154 5.218,1155 12.755,1156 1.555,1157 1.616,1158 1.629,1159 1.531,1160 1.525,1161 2.075,1163 4.619,1164 1.464,1165 4.134,1166 4.181,1167 4.118,1168 3.999,1169 8.201,1170 4.021,1171 3.871,1172 3.898,1173 3.835,1174 3.76,1175 7.452,1176 3.776,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 5.255,1182 3.4,1183 3.288,1184 3.335,1185 3.223,1186 3.091,1187 4.873,1188 3.119,1189 3.091,1190 3.167,1191 2.985,1192 2.805,1193 4.603,1194 2.843,1195 2.976,1196 3.068,1197 2.865,1198 2.733,1199 4.435,1200 2.734,1201 2.897,1202 3.009,1203 2.807,1204 2.671,1205 4.062,1206 2.707,1207 2.874,1208 2.956,1209 2.499,1210 2.618,1211 3.701,1212 2.57,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 3.384,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1229 12.087,1230 3.218,1231 1.94,1232 1.921,1233 2.005,1234 2.041,1235 1.155,1236 2.025,1237 1.802,1238 1.755,1239 1.946,1240 1.992,1241 1.12,1242 1.976,1243 1.617,1244 1.554,1245 1.776,1246 1.817,1247 0.841,1248 1.816,1249 1.226,1250 1.188,1251 1.417,1252 1.458,1253 0.469,1254 1.428,1255 0.967,1256 0.894,1257 1.349,1258 1.316,1259 0.339,1260 1.308,1261 0.934,1262 0.804,1263 1.203,1264 1.239,1265 0.141,1266 1.291,1267 0.86,1268 0.804,1269 1.115,1270 1.151,1271 0.061,1272 1.123,1273 0.791,1274 0.725,1275 1.007,1276 1.068,1277 0.018,1278 1.077,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 3.926,1291 13.874,1293 5.948,1299 0.06,1305 23.839,1306 62.601,1307 142.101,1308 159.853,1309 164.608,1310 166.608,1311 166.608,1312 43.73,1313 6.961,1314 86.69,1315 86.69,1316 17,1317 12.579,1318 4.17,1319 3.322,1320 34.208,1321 62,1322 74,1323 0.278,1324 148.222,1325 247.02,1326 353.422,1327 8101,1328 2.8,1329 15.853,1330 0.721,1331 0.551,1332 14.983,1333 12.117,1334 10.524,1335 0.439,1336 0.282,1337 6.644,1338 10.005,1339 6.449,1340 5.383,1341 10.113,1342 6.764,1343 9.676,1344 0.276,1345 0.149,1346 9.146,1347 5.199,1348 8.311,1349 0.17,1350 0.07,1351 7.868,1352 3.408,1353 7.137,1354 0.107,1355 0.035,1356 6.666,1357 2.328,1358 5.65,1359 0.066,1360 0.018,1361 5.483,1362 1.579,1363 0.415,1364 66.86,1365 0.255,1366 21.024,1367 0.832,1368 118,1369 427.739,1370 132.706,1371 389.721,1372 525.62,1373 362,1374 143,1375 388.354,1376 158.451,1377 387.137,1378 569.14,1379 363,1380 5.854}
{0 CHEMBL1241861,1 1.828,2 8,3 2.597,4 6.742,5 83.587,6 8.815,7 0.64,8 3.723,9 3.844,10 3.411,11 3.225,12 5.046,13 3.256,14 4.217,15 4.383,16 3.813,17 3.594,18 5.524,19 3.627,20 4.432,21 4.61,22 3.951,23 3.706,24 5.801,25 3.751,26 4.555,27 4.755,28 3.999,29 3.71,30 6.237,31 3.74,32 4.433,33 4.638,34 3.714,35 3.644,36 5.738,37 3.628,38 4.333,39 4.516,40 3.709,41 3.58,42 5.672,43 3.569,44 4.458,45 4.711,46 3.577,47 3.465,48 5.949,49 3.41,50 4.272,51 4.562,52 3.214,53 3.088,54 5.616,55 3.052,56 0.167,57 0.724,58 5.102,59 2.91,60 18.377,61 3.196,62 0.362,63 1.128,64 10.945,65 4.782,66 46.15,67 5.607,68 0.516,69 1.396,70 14.284,71 5.461,72 60.229,73 6.13,74 1.014,75 1.492,76 18.567,77 6.171,78 158.258,79 7.254,80 0.635,81 1.2,82 15.607,83 5.287,84 79.004,85 6.411,86 0.45,87 1.202,88 12.159,89 5.188,90 48.649,91 6.297,92 0.796,93 1.167,94 19.094,95 5.763,96 106.812,97 8.075,98 0.704,99 0.924,100 20.412,101 5.966,102 98.327,103 7.597,104 41,105 37,106 0.329,107 0.722,108 0.793,109 0.793,110 0.793,111 0.793,112 3.19,113 0.824,114 -4.82,115 -4.73,116 -4.44,119 41.7,120 2,127 1,142 2,143 3,144 2,146 1,147 1,148 1,155 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 8,177 1,178 1,180 1,183 5,185 1,186 1,187 5,195 3,198 2,199 8,201 3,202 3,204 1,207 2,209 1,212 6,217 2,220 3,222 2,224 3,229 2,232 4,234 2,236 1,237 3,242 1,247 1,249 1,258 2,262 2,265 1,266 1,275 680,276 15.146,277 15.146,278 15.146,279 15.146,280 15.146,281 13.157,282 13.387,283 8.545,284 15.491,285 12.222,286 12.222,287 12.222,288 12.222,289 12.222,290 9.088,291 10.537,292 3.887,293 12.811,294 3.342,295 1.157,296 0.764,297 0.764,298 0.764,299 0.764,300 3.861,303 1,304 1,305 1,306 386,307 2.915,310 45.418,311 122.25,314 86.69,318 1.13,319 41.671,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.5,331 184,332 4.764,333 3.437,334 7.041,335 4.307,336 3.343,337 4.734,339 12.095,340 3.224,341 4.385,342 3.323,343 6.435,344 3.961,345 2.998,346 4.092,348 9.832,349 2.877,350 3.831,351 2.741,352 6.112,353 3.51,354 2.553,355 3.231,357 8.633,358 2.44,359 3.718,360 2.643,361 5.727,362 3.32,363 2.356,364 3.138,366 7.478,367 2.268,368 3.232,369 2.592,370 4.879,371 2.787,372 1.879,373 2.481,375 5.225,376 1.678,377 3.04,378 2.373,379 4.82,380 2.684,381 1.743,382 2.273,384 4.819,385 1.637,386 3.001,387 1.819,388 4.533,389 2.488,390 1.535,391 2.129,393 4.275,394 1.457,395 2.598,396 1.494,397 3.88,398 2.077,399 1.115,400 1.591,402 2.8,403 1.06,404 2.386,405 1.054,406 3.554,407 1.896,408 0.902,409 1.195,411 2.153,412 0.884,413 2.11,414 0.876,415 3.326,416 1.697,417 0.718,418 0.968,420 1.534,421 0.693,422 1.267,423 0.818,424 2.653,425 0.786,426 -0.231,427 -0.329,428 -0.383,429 -0.227,430 1.057,431 0.159,432 2.585,433 0.611,434 -0.304,435 -0.405,436 -0.689,437 -0.279,438 1,439 -0.148,440 2.42,441 0.557,442 -0.347,443 -0.445,445 -0.898,446 -0.303,447 0.672,448 -0.526,449 2.254,450 0.195,451 -0.729,452 -0.946,454 -2,455 -0.664,456 0.307,457 -0.794,458 2.115,460 -0.949,461 -1,463 -2.052,464 -0.855,465 10.405,466 0.452,467 0.737,468 0.032,469 31.25,470 1.359,471 16,472 0.696,473 15.25,474 0.663,475 17.151,476 0.746,477 24.995,478 0.694,479 24.267,480 1.055,481 6.287,482 0.273,483 4.648,484 0.202,485 0.222,487 0.471,491 2,493 0.611,494 1.042,495 0.624,496 1.018,497 0.585,498 0.874,499 0.669,500 0.987,501 0.581,502 0.885,503 0.596,504 0.748,505 1.013,506 1.237,507 0.824,508 1.012,509 0.871,510 0.871,511 0.773,512 0.932,513 0.847,514 0.9,515 0.669,516 0.89,517 0.9,518 0.863,519 1.13,520 0.97,521 0.789,522 1.079,523 0.725,524 1.179,525 1.018,526 1.367,527 0.751,528 1.329,529 0.633,530 0.76,531 1.005,532 1.075,533 0.707,534 1.166,535 1.292,536 1.18,537 0.913,538 0.953,539 1.333,540 0.843,541 5,542 0.012,543 3.333,544 2.604,545 2.038,546 0.889,547 0.744,548 0.471,549 0.224,550 0.066,551 4612,552 17286,553 1.991,554 36.1,556 3,558 2,559 2,561 6,564 1.665,565 1.792,566 2.975,567 0.407,568 1,569 1,571 1,573 65.799,574 1.828,575 4.013,576 4.406,577 4.406,578 4.406,579 4.406,580 2.442,581 4.056,582 4.496,583 3.103,584 785.079,585 7.782,586 8552.58,587 1,588 1,590 1,591 186.117,592 1.55,593 4.413,594 0.2,595 0.004,596 0.09,597 0.064,598 0.051,599 0.029,600 0.025,601 0.02,602 0.014,603 0.009,604 0.506,605 0.33,606 1,607 1.009,608 104.428,609 -0.044,610 -0.068,611 0.018,612 -0.013,613 -0.066,614 0.019,616 -0.063,617 0.203,618 0.096,619 0.017,620 0.191,621 -0.154,622 -0.208,623 0.023,624 -0.051,625 -0.078,626 0.038,627 0.227,628 0.086,629 0.1,630 0.036,631 0.301,632 0.028,633 -0.113,634 0.041,635 -0.243,636 -0.036,637 -0.061,638 -0.142,639 0.014,640 -0.219,641 -0.186,642 -0.396,643 -0.061,644 -0.386,645 0.259,646 0.119,647 0.051,648 -0.13,649 0.152,650 -0.139,651 -0.031,652 -0.185,653 0.38,654 0.099,655 -0.027,656 0.323,657 2.627,658 5.895,659 0.652,660 16.106,661 1.036,662 1.152,663 3.587,664 12.863,665 0.671,666 3.258,667 3.638,668 3.97,669 4.29,670 4.511,671 4.673,672 4.762,673 4.868,674 4.852,675 4.787,676 4.892,677 0.673,678 317.33,679 3.258,680 4.828,681 5.714,682 6.632,683 7.54,684 8.465,685 9.381,686 10.309,687 11.228,688 12.157,689 13.9,693 1,697 1,699 3,703 2,704 3,705 3,709 6,710 1,711 16,712 1,722 1,730 2,731 36,733 17,734 1,735 25,737 38,738 15,739 11,740 4,741 2,742 1,746 3,747 4,752 2,758 1,761 12,762 3,766 1,771 1,773 1,777 1,778 1,779 2,781 13,782 7,783 2,784 8,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 2,848 23,849 1,858 1,869 2,870 2.8,873 1,877 12.833,878 7.252,879 5.056,880 2.109,881 3.247,882 1.46,883 0.99,884 3.726,885 10.3,886 3.555,887 4.245,888 4.948,889 5.63,890 6.187,891 6.629,892 7.068,893 7.523,894 7.813,895 8.114,896 1,897 41,898 8.558,900 3.838,901 8.312,902 15.33,904 12.492,905 2.812,906 64.667,910 129.482,911 90.632,912 84.908,914 25.145,915 29.92,917 90.632,918 154.627,919 114.828,920 17.65,922 51.85,923 112.061,924 40.338,925 32.248,926 105.94,928 129.482,929 175.54,930 55.065,933 88.776,934 95.772,937 32.518,938 81.364,939 61.658,941 159.402,942 110.053,943 90.632,946 129.482,947 33.986,948 58.422,950 138.196,951 129.482,952 139.973,953 90.632,955 0.594,956 0.368,957 0.208,958 0.109,959 19,960 10,961 0.079,962 3,963 1,964 1.133,965 3.269,966 194.362,967 0.133,968 15,969 96.042,974 15.354,975 5.581,976 2.423,977 0.89,978 138.196,979 3.399,980 12.438,984 -1.948,985 1.603,986 32.897,987 360.087,988 34,993 10.716,995 0.136,999 37.28,1000 41.456,1001 0.354,1002 0.776,1003 0.852,1004 0.852,1005 0.852,1006 0.852,1007 4.812,1008 1.115,1009 5.746,1010 4.275,1011 4.317,1012 4.931,1014 6.648,1015 4.227,1016 6.073,1017 0.902,1018 7.37,1019 2.8,1020 4.111,1021 4.956,1023 7.732,1024 3.966,1025 7.421,1026 0.718,1027 9.093,1028 2.153,1029 5.999,1030 7.281,1032 10.877,1033 5.834,1034 8.811,1035 -0.231,1036 10.871,1037 1.534,1038 6.581,1039 8.131,1041 12.773,1042 6.368,1043 10.234,1044 -0.304,1045 12.685,1046 -0.383,1047 7.999,1048 9.965,1050 15.461,1051 7.764,1052 11.682,1053 -0.347,1054 14.523,1055 -0.689,1056 8.923,1057 11.193,1059 17.692,1060 8.645,1061 13.15,1062 -0.729,1063 16.379,1064 -0.898,1065 10.178,1066 12.839,1068 20.231,1069 9.871,1070 3.343,1071 -0.949,1072 18.248,1073 -2,1074 11.25,1075 14.239,1077 22.606,1078 10.903,1079 2.998,1080 12.095,1081 20.128,1082 -2.052,1083 12.45,1084 15.814,1086 25.099,1087 12.072,1088 2.553,1089 9.832,1090 22.017,1091 4.734,1092 13.586,1093 17.293,1095 27.536,1096 13.17,1097 2.356,1098 8.633,1099 23.913,1100 4.092,1101 14.772,1102 18.843,1104 30.018,1105 14.322,1106 1.879,1107 7.478,1108 25.816,1109 3.231,1110 15.936,1111 20.357,1113 32.482,1114 15.45,1115 1.743,1116 5.225,1117 27.724,1118 3.138,1119 17.121,1120 21.901,1122 34.964,1123 16.6,1124 1.535,1125 4.819,1126 29.636,1127 2.481,1128 18.3,1129 23.431,1131 37.441,1132 17.742,1133 4670,1134 9177,1135 15.838,1136 24.165,1137 38.928,1138 40.869,1139 41.414,1140 38.414,1141 38.283,1142 51.663,1144 117.688,1145 36.439,1146 5.439,1147 5.437,1148 6.569,1149 5.38,1150 5.343,1151 7.734,1153 19.572,1154 5.224,1155 14.298,1156 1.557,1157 1.635,1158 1.657,1159 1.537,1160 1.531,1161 2.067,1163 4.708,1164 1.458,1165 4.136,1166 4.182,1167 4.121,1168 3.999,1169 8.211,1170 4.022,1171 3.881,1172 3.906,1173 3.861,1174 3.759,1175 8.191,1176 3.78,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 7.452,1182 3.4,1183 3.289,1184 3.336,1185 3.224,1186 3.09,1187 5.254,1188 3.12,1189 3.092,1190 3.167,1191 2.987,1192 2.805,1193 4.869,1194 2.843,1195 2.976,1196 3.069,1197 2.913,1198 2.73,1199 4.554,1200 2.753,1201 2.937,1202 3.009,1203 2.863,1204 2.671,1205 4.353,1206 2.708,1207 2.874,1208 2.985,1209 2.521,1210 2.618,1211 4.042,1212 2.57,1213 0.191,1214 0.137,1215 0.282,1216 0.172,1217 0.134,1218 4.764,1219 0.189,1220 3.437,1222 7.041,1223 0.484,1224 4.307,1225 0.129,1226 3.343,1227 4.734,1229 12.095,1230 3.224,1231 1.934,1232 1.918,1233 1.982,1234 2.042,1235 1.154,1236 2.021,1237 1.8,1238 1.754,1239 1.943,1240 1.993,1241 1.112,1242 1.973,1243 1.616,1244 1.553,1245 1.769,1246 1.818,1247 0.833,1248 1.813,1249 1.224,1250 1.188,1251 1.417,1252 1.458,1253 0.469,1254 1.427,1255 0.966,1256 0.893,1257 1.344,1258 1.316,1259 0.323,1260 1.308,1261 0.934,1262 0.804,1263 1.202,1264 1.239,1265 0.072,1266 1.291,1267 0.832,1268 0.787,1269 1.035,1270 1.152,1271 0.061,1272 1.12,1273 0.79,1274 0.725,1275 1.005,1276 1.074,1277 0.018,1278 1.047,1279 3.932,1281 5.293,1282 2.398,1283 6.858,1284 4.844,1285 8.519,1286 7.081,1287 10.23,1289 3.788,1291 27.789,1293 5.892,1299 -0.038,1305 24.222,1306 65.799,1307 144.466,1308 158.608,1309 158.608,1310 158.608,1311 158.608,1312 58.44,1313 7.054,1314 86.69,1315 86.69,1316 17,1317 12.662,1318 4.17,1319 3.322,1320 36.516,1321 66,1322 74,1323 0.28,1324 149.42,1325 253.09,1326 356.346,1327 9002,1328 5.6,1329 16.723,1330 0.727,1331 0.54,1332 14.983,1333 12.417,1334 10.935,1335 0.437,1336 0.275,1337 6.724,1338 10.304,1339 6.55,1340 5.443,1341 10.113,1342 6.869,1343 10.215,1344 0.276,1345 0.144,1346 9.146,1347 5.316,1348 8.681,1349 0.167,1350 0.067,1351 7.868,1352 3.478,1353 7.757,1354 0.108,1355 0.033,1356 6.666,1357 2.391,1358 5.76,1359 0.064,1360 0.018,1361 5.483,1362 1.583,1363 0.416,1364 70.19,1365 0.251,1366 21.766,1367 0.84,1368 124,1369 521.85,1370 142.537,1371 451.774,1372 597.61,1373 418,1374 151,1375 432.687,1376 169.943,1377 424.719,1378 626.41,1379 398,1380 5.569}
{0 CHEMBL1241862,1 1.755,2 8.087,3 2.093,4 4.379,5 89.948,6 8.706,7 0.64,8 3.764,9 3.895,10 3.449,11 3.29,12 5.001,13 3.292,14 4.244,15 4.414,16 3.866,17 3.679,18 5.489,19 3.667,20 4.456,21 4.634,22 3.991,23 3.82,24 5.678,25 3.799,26 4.563,27 4.764,28 4.054,29 3.837,30 5.886,31 3.804,32 4.506,33 4.715,34 3.758,35 3.77,36 5.632,37 3.696,38 4.377,39 4.578,40 3.731,41 3.689,42 5.51,43 3.609,44 4.449,45 4.702,46 3.63,47 3.583,48 5.629,49 3.461,50 4.281,51 4.572,52 3.342,53 3.328,54 5.301,55 3.164,56 0.115,57 0.619,58 6.124,59 2.822,60 13.283,61 3.522,62 0.258,63 0.933,64 12.374,65 4.97,66 33.234,67 6.536,68 0.329,69 1.085,70 17.271,71 5.834,72 32.838,73 7.443,74 0.535,75 1.144,76 21.618,77 6.473,78 59.011,79 8.46,80 0.446,81 1.052,82 21.499,83 6.133,84 48.419,85 8.036,86 0.26,87 0.957,88 15.559,89 5.78,90 27.011,91 7.817,92 0.483,93 0.877,94 21.293,95 6.121,96 58.061,97 8.709,98 0.379,99 0.621,100 24.178,101 6.566,102 40.086,103 9.316,104 41,105 37,106 0.313,107 0.708,108 0.783,109 0.824,110 0.834,111 0.834,112 3.19,113 0.883,114 -4.46,115 -4.39,116 -4.14,119 39.5,120 2,127 1,142 3,143 3,144 1,146 1,147 1,148 1,158 1,161 1,163 2,164 2,165 2,166 1,172 4,174 2,175 8,177 2,178 2,180 2,183 8,185 2,186 1,187 6,192 1,195 6,197 1,198 2,199 10,201 3,202 3,204 4,207 4,209 4,212 8,217 3,220 4,222 3,224 6,229 3,232 4,234 3,236 1,237 5,239 1,240 1,242 3,245 2,247 3,249 1,252 1,253 1,258 4,262 2,265 3,266 3,267 1,270 2,274 1,275 690,276 14.983,277 14.983,278 14.983,279 14.983,280 14.983,281 12.955,282 13.912,283 8.494,284 15.334,285 12.285,286 12.285,287 12.285,288 12.285,289 12.285,290 9.14,291 10.971,292 3.944,293 12.895,294 3.493,295 1.274,296 0.849,297 0.619,298 0.566,299 0.566,300 3.861,301 1,303 1,304 1,305 1,306 390,307 3.162,310 46.358,311 123.5,314 88.247,318 1.229,319 27.079,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.333,331 186,332 4.76,333 3.569,334 7.039,335 4.302,336 3.339,337 4.732,338 0.98,339 12.087,340 3.218,341 4.333,342 3.371,343 6.369,344 3.924,345 2.957,346 3.987,348 9.561,349 2.847,350 3.86,351 2.933,352 6.123,353 3.535,354 2.571,355 3.264,357 8.682,358 2.479,359 3.756,360 2.668,361 5.741,362 3.367,363 2.4,364 3.172,366 7.528,367 2.313,368 3.234,369 2.407,370 4.824,371 2.751,372 1.816,373 2.461,375 4.861,376 1.661,377 3.024,378 1.822,379 4.747,380 2.675,381 1.738,382 2.166,384 4.799,385 1.608,386 2.945,387 1.628,388 4.364,389 2.41,390 1.487,391 2.109,393 3.87,394 1.326,395 2.672,396 1.452,397 3.86,398 2.155,399 1.176,400 1.716,402 2.823,403 1.134,404 2.472,405 1.054,406 3.675,407 1.97,408 1,409 1.435,411 2.604,412 0.966,413 2.118,414 0.844,415 3.483,416 1.749,417 0.786,418 1.014,420 2.003,421 0.755,422 1.187,423 0.448,424 2.698,425 0.738,426 -0.17,427 -0.213,428 -0.404,429 -0.125,430 1.056,431 0.061,432 2.425,433 0.6,434 -0.299,435 -0.381,436 -0.697,437 -0.264,438 0.778,439 -0.148,440 2.339,441 0.288,442 -0.609,443 -0.799,445 -1.709,446 -0.52,447 0.609,448 -0.485,449 2.255,450 0.099,451 -0.844,452 -1,454 -2,455 -0.783,456 0.429,457 -0.788,458 2.12,459 0.042,460 -1,461 -1.139,463 -2,464 -1,465 10.948,466 0.476,467 0.775,468 0.034,469 31.25,470 1.359,471 16,472 0.696,473 15.25,474 0.663,475 18.128,476 0.788,477 24.452,478 0.643,479 22.987,480 0.999,481 6.07,482 0.264,483 4.826,484 0.21,485 0.26,487 0.448,493 0.795,494 1.221,495 0.606,496 0.863,497 0.835,498 0.806,499 0.597,500 1.062,501 0.543,502 0.792,503 0.453,504 0.73,505 1.106,506 1.221,507 0.869,508 0.913,509 0.913,510 0.867,511 0.886,512 0.988,513 0.901,514 0.959,515 0.79,516 0.929,517 1.198,518 1.043,519 1.245,520 1.086,521 0.964,522 1.138,523 0.74,524 1.326,525 0.892,526 1.222,527 0.63,528 1.227,529 0.719,530 0.921,531 0.952,532 1.079,533 0.772,534 1.145,535 0.74,536 0.795,537 1.067,538 0.967,539 0.785,540 0.886,541 5,542 0.025,543 3.333,544 2.542,545 1.887,546 0.952,547 0.607,548 0.386,549 0.309,550 0.124,551 4744,552 16046,553 1.991,554 39.5,556 4,558 1,559 4,561 6,564 1.663,565 1.792,566 3.008,567 1.908,568 1,569 1,571 1,573 66.705,574 1.755,575 3.974,576 4.399,577 4.629,578 4.682,579 4.682,580 2.455,581 4.263,582 4.494,583 3.163,584 800.229,585 7.77,586 8757.25,587 1,588 1,590 1,591 199.421,592 1.55,593 4.413,594 0.2,595 0.004,596 0.09,597 0.064,598 0.048,599 0.032,600 0.022,601 0.018,602 0.019,603 0.011,604 0.509,605 0.17,606 1,607 1.009,608 104.985,609 -0.094,610 0.008,611 -0.001,612 0.062,613 -0.184,614 0.059,615 0.162,616 0.06,617 0.181,618 0.159,619 0.193,620 0.195,621 -0.175,622 -0.139,624 0.04,625 -0.077,626 0.047,627 0.103,628 0.059,629 0.051,630 -0.017,631 0.115,632 -0.007,633 -0.277,634 -0.016,635 -0.278,636 -0.128,637 -0.184,638 -0.197,639 -0.039,640 -0.288,641 -0.067,642 -0.251,643 -0.043,644 -0.257,645 0.141,646 0.005,647 0.039,648 -0.107,649 0.023,650 -0.135,651 0.211,652 -0.069,653 0.257,654 0.137,655 0.129,656 0.271,657 2.248,658 4.308,659 0.652,660 16.87,661 1.018,662 1.137,663 3.233,664 10.455,665 0.688,666 3.258,667 3.638,668 3.951,669 4.263,670 4.489,671 4.644,672 4.736,673 4.828,674 4.852,675 4.812,676 5.053,677 0.666,678 330.81,679 3.258,680 4.828,681 5.707,682 6.621,683 7.525,684 8.446,685 9.358,686 10.282,687 11.198,688 12.124,689 15.8,693 1,696 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,717 1,722 1,730 1,731 38,733 17,734 1,735 25,737 40,738 15,739 11,740 3,741 3,742 1,746 3,747 4,748 1,752 2,758 1,761 12,762 3,766 1,771 1,775 1,777 1,778 1,781 15,782 6,783 4,784 8,785 1,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,845 1,848 23,849 2,858 1,869 1,870 2.6,873 1,877 12.833,878 7.443,879 4.972,880 2.17,881 3.241,882 1.46,883 0.993,884 3.961,885 10.293,886 3.555,887 4.245,888 4.926,889 5.6,890 6.166,891 6.597,892 7.044,893 7.484,894 7.791,895 8.095,896 1,897 40,898 8.431,900 3.626,901 7.969,902 15.616,904 12.692,905 2.469,906 56.778,910 129.482,911 78.647,912 117.805,913 39.149,914 25.145,917 78.647,918 193.776,919 117.805,920 17.65,921 32.897,922 61.326,923 93.57,924 25.597,925 2.328,926 117.711,927 39.149,928 129.482,929 196.452,930 25.145,931 39.149,933 58.856,934 95.772,937 65.415,938 80.803,939 89.383,941 129.482,942 142.95,943 117.796,946 129.482,947 23.949,948 56.474,950 180.322,951 129.482,952 142.95,953 117.796,955 0.599,956 0.359,957 0.198,958 0.106,959 19,960 10,961 0.075,962 3,963 1,964 1.133,965 3.296,966 192.599,967 0.133,968 15,969 102.042,974 15.716,975 5.797,976 2.644,977 1.307,978 141.173,979 6.344,980 12.915,984 2.188,985 1.776,986 65.794,987 390.228,988 34,993 11.308,997 -0.582,999 38.68,1000 43.219,1001 0.334,1002 0.757,1003 0.838,1004 0.882,1005 0.892,1006 0.892,1007 4.812,1008 1.176,1009 5.74,1010 3.87,1011 4.317,1012 4.931,1013 1.072,1014 6.632,1015 4.227,1016 6.073,1017 1,1018 7.358,1019 2.823,1020 4.111,1021 4.945,1023 7.711,1024 3.975,1025 7.42,1026 0.786,1027 9.077,1028 2.604,1029 5.989,1030 7.263,1031 1.045,1032 10.849,1033 5.828,1034 8.807,1035 -0.17,1036 10.853,1037 2.003,1038 6.567,1039 8.1,1041 12.747,1042 6.366,1043 10.226,1044 -0.299,1045 12.665,1046 -0.404,1047 7.983,1048 9.935,1049 1.019,1050 15.428,1051 7.755,1052 11.67,1053 -0.609,1054 14.501,1055 -0.697,1056 8.901,1057 11.153,1059 17.663,1060 8.633,1061 13.134,1062 -0.844,1063 16.356,1064 -1.709,1065 10.154,1066 12.8,1067 0.993,1068 20.198,1069 9.855,1070 3.339,1071 -1,1072 18.224,1073 -2,1074 11.22,1075 14.196,1077 22.576,1078 10.881,1079 2.957,1080 12.087,1081 20.104,1082 -2,1083 12.418,1084 15.772,1085 0.967,1086 25.068,1087 12.047,1088 2.571,1089 9.561,1090 21.992,1091 4.732,1092 13.55,1093 17.249,1095 27.507,1096 13.139,1097 2.4,1098 8.682,1099 23.888,1100 3.987,1101 14.734,1102 18.801,1103 0.942,1104 29.99,1105 14.288,1106 1.816,1107 7.528,1108 25.79,1109 3.264,1110 15.896,1111 20.315,1113 32.456,1114 15.412,1115 1.738,1116 4.861,1117 27.697,1118 3.172,1119 17.079,1120 21.861,1121 0.917,1122 34.939,1123 16.559,1124 1.487,1125 4.799,1126 29.609,1127 2.461,1128 18.256,1129 23.392,1131 37.418,1132 17.699,1133 4791,1134 8932,1135 15.838,1136 26.154,1137 39.147,1138 39.851,1139 41.252,1140 38.718,1141 38.543,1142 52.114,1143 1.96,1144 117.638,1145 36.612,1146 5.443,1147 5.569,1148 6.567,1149 5.375,1150 5.339,1151 7.732,1152 1.96,1153 19.557,1154 5.218,1155 14.441,1156 1.566,1157 1.594,1158 1.65,1159 1.549,1160 1.542,1161 2.085,1162 0.078,1163 4.706,1164 1.464,1165 4.135,1166 4.181,1167 4.138,1168 4.005,1169 7.437,1170 4.024,1171 3.874,1172 3.898,1173 3.961,1174 3.776,1175 5.257,1176 3.787,1177 3.577,1178 3.655,1179 3.445,1180 3.408,1181 4.957,1182 3.4,1183 3.363,1184 3.415,1185 3.344,1186 3.129,1187 4.866,1188 3.167,1189 3.139,1190 3.233,1191 3.302,1192 2.85,1193 4.801,1194 2.89,1195 2.988,1196 3.096,1197 3.001,1198 2.792,1199 4.513,1200 2.767,1201 2.878,1202 3.009,1203 2.862,1204 2.676,1205 4.275,1206 2.714,1207 2.874,1208 2.922,1209 2.543,1210 2.618,1211 4.048,1212 2.57,1213 0.19,1214 0.143,1215 0.282,1216 0.172,1217 0.134,1218 4.76,1219 0.189,1220 3.569,1221 0.039,1222 7.039,1223 0.483,1224 4.302,1225 0.129,1226 3.339,1227 4.732,1228 0.98,1229 12.087,1230 3.218,1231 1.942,1232 1.926,1233 1.995,1234 2.038,1235 1.158,1236 2.023,1237 1.803,1238 1.757,1239 1.945,1240 1.986,1241 1.127,1242 1.975,1243 1.619,1244 1.556,1245 1.774,1246 1.819,1247 0.844,1248 1.817,1249 1.264,1250 1.221,1251 1.417,1252 1.55,1253 0.469,1254 1.514,1255 1.017,1256 0.938,1257 1.405,1258 1.365,1259 0.325,1260 1.337,1261 0.934,1262 0.824,1263 1.225,1264 1.239,1265 0.158,1266 1.308,1267 0.868,1268 0.804,1269 1.128,1270 1.184,1271 0.05,1272 1.168,1273 0.824,1274 0.741,1275 1.038,1276 1.046,1277 0.008,1278 1.06,1279 3.932,1281 5.293,1282 2.398,1283 6.851,1284 4.844,1285 8.502,1286 7.081,1287 10.203,1289 3.995,1290 6.137,1293 11.291,1299 0.098,1305 25.305,1306 66.705,1307 151.015,1308 167.157,1309 175.911,1310 177.911,1311 177.911,1312 41.913,1313 7.052,1314 112.71,1315 112.71,1316 17,1317 12.631,1318 4.17,1319 3.322,1320 36.603,1321 68,1322 70,1323 0.271,1324 162.151,1325 267.16,1326 387.409,1327 9080,1328 2.6,1329 16.723,1330 0.727,1331 0.581,1332 17.223,1333 13.372,1334 10.897,1335 0.436,1336 0.294,1337 6.91,1338 10.17,1339 6.661,1340 5.556,1341 11.185,1342 7.36,1343 10.415,1344 0.281,1345 0.157,1346 10.786,1347 5.811,1348 8.531,1349 0.167,1350 0.075,1351 8.863,1352 3.828,1353 7.481,1354 0.107,1355 0.038,1356 7.909,1357 2.693,1358 5.735,1359 0.065,1360 0.02,1361 5.93,1362 1.726,1363 0.407,1364 71.565,1365 0.251,1366 21.9,1367 0.802,1368 124,1369 385.144,1370 152.197,1371 408.731,1372 551.55,1373 378,1374 150,1375 395.637,1376 174.834,1377 410.124,1378 603.82,1379 385,1380 5.585}
{0 CHEMBL1241863,1 1.597,2 8.75,3 1.849,4 3.417,5 94.079,6 8.01,7 0.593,8 3.824,9 3.954,10 3.458,11 3.359,12 5.009,13 3.364,14 4.322,15 4.492,16 3.861,17 3.756,18 5.494,19 3.749,20 4.544,21 4.736,22 3.928,23 3.883,24 5.691,25 3.864,26 4.619,27 4.841,28 3.881,29 3.89,30 5.752,31 3.844,32 4.539,33 4.755,34 3.722,35 3.823,36 5.615,37 3.759,38 4.452,39 4.651,40 3.649,41 3.743,42 5.583,43 3.676,44 4.524,45 4.787,46 3.44,47 3.66,48 5.521,49 3.547,50 4.385,51 4.683,52 3.252,53 3.437,54 5.343,55 3.302,56 0.078,57 0.672,58 7.196,59 3.069,60 9.284,61 3.933,62 0.215,63 1.053,64 13.484,65 5.266,66 22.278,67 7.096,68 0.262,69 1.251,70 18.01,71 6.155,72 29.045,73 8.32,74 0.377,75 1.301,76 20.749,77 6.945,78 39.755,79 9.638,80 0.264,81 1.179,82 18.773,83 6.433,84 31.68,85 8.866,86 0.226,87 1.101,88 16.437,89 5.968,90 32.267,91 8.103,92 0.311,93 1.088,94 20.486,95 6.398,96 39.591,97 9.396,98 0.325,99 0.865,100 19.875,101 6.503,102 37.436,103 9.812,104 18,105 40,106 0.279,107 0.699,108 0.814,109 0.844,110 0.844,111 0.844,112 3.23,113 0.852,114 -4.36,115 -4.3,116 -4.05,119 42.5,120 2,127 1,135 2,142 3,143 3,144 1,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 8,177 1,178 2,180 4,183 8,185 1,186 1,187 6,192 3,195 7,198 2,199 10,201 3,202 3,204 2,207 7,209 1,212 9,217 2,220 4,222 2,224 9,227 1,229 5,232 5,234 4,237 3,240 1,242 1,245 4,247 1,249 1,250 3,253 2,254 1,255 1,257 1,258 2,260 1,262 1,268 2,271 2,275 758,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 13.994,282 17.007,283 9.195,284 16.372,285 13.321,286 13.321,287 13.321,288 13.321,289 13.321,290 9.947,291 18.192,292 4.348,293 13.774,294 3.725,295 1.317,296 0.657,297 0.488,298 0.488,299 0.488,300 3.925,303 1,304 1,305 1,306 460,307 2.739,310 43.524,311 159.84,314 83.676,315 88.462,318 1.375,319 22.141,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52,331 210,332 4.761,333 3.498,334 7.039,335 4.303,336 3.339,337 4.732,338 1.058,339 12.088,340 3.223,341 4.322,342 3.373,343 6.262,344 3.93,345 2.948,346 3.973,348 9.449,349 2.893,350 3.859,351 2.881,352 6.082,353 3.532,354 2.57,355 3.253,357 8.608,358 2.473,359 3.762,360 2.658,361 5.719,362 3.374,363 2.407,364 3.169,366 7.488,367 2.324,368 3.494,369 2.387,370 4.962,371 3.094,372 2.08,373 2.756,375 5.803,376 2.092,377 3.036,378 1.821,379 4.819,380 2.683,381 1.742,382 2.231,384 4.818,385 1.636,386 3.028,387 1.688,388 4.495,389 2.603,390 1.618,391 2.174,393 4.416,394 1.592,395 2.975,396 1.526,397 4.377,398 2.446,399 1.501,400 2.124,402 4.065,403 1.414,404 2.525,405 1.084,406 3.861,407 2.011,408 1.064,409 1.534,411 2.761,412 1.005,413 2.347,414 0.868,415 3.492,416 1.796,417 0.827,418 1.096,420 2.067,421 0.799,422 2.125,423 0.855,424 3.274,425 1.682,426 0.694,427 1.004,428 1.685,429 0.684,430 1.389,431 0.613,432 2.724,433 0.907,434 -0.108,435 -0.153,436 -0.26,437 -0.108,438 1.058,439 -0.147,440 2.432,441 0.615,442 -0.302,443 -0.393,445 -0.705,446 -0.277,447 0.744,448 -0.416,449 2.384,450 0.368,451 -0.618,452 -0.734,454 -1.82,455 -0.607,456 0.703,457 -0.574,458 2.27,459 0.275,460 -0.715,461 -1,463 -2,464 -0.694,465 11.233,466 0.468,467 0.716,468 0.03,469 34.25,470 1.427,471 18,472 0.75,473 16.25,474 0.677,475 17.446,476 0.727,477 24.767,478 0.619,479 24.561,480 1.023,481 6.62,482 0.276,483 4.922,484 0.205,485 0.154,487 0.436,493 0.8,494 1.224,495 0.725,496 0.961,497 0.743,498 0.844,499 0.618,500 1.095,501 0.658,502 0.911,503 0.496,504 0.809,505 1.121,506 1.167,507 0.922,508 0.955,509 0.907,510 0.907,511 0.904,512 0.895,513 0.956,514 0.913,515 0.78,516 0.931,517 1.079,518 1.07,519 1.124,520 1.06,521 0.821,522 1.083,523 1.031,524 1.265,525 1.198,526 1.264,527 1.01,528 1.261,529 0.92,530 0.992,531 1.176,532 1.071,533 0.82,534 1.135,535 0.46,536 0.758,537 0.77,538 0.896,539 0.474,540 0.89,541 5,542 0.083,543 3.111,544 2.104,545 2.14,546 0.827,547 0.564,548 0.436,549 0.215,550 0.178,551 5894,552 16649,553 2.11,554 40,556 6,558 1,559 3,561 6,564 1.673,565 1.946,566 3.102,567 1.039,568 1,569 1,571 1,573 63.88,574 1.597,575 4.005,576 4.665,577 4.834,578 4.834,579 4.834,580 2.555,581 4.418,582 4.557,583 3.236,584 893.149,585 7.888,586 9993.54,587 1,588 1,590 1,591 212.877,592 1.483,593 4.504,594 0.185,595 0.012,596 0.078,597 0.05,598 0.055,599 0.025,600 0.019,601 0.019,602 0.011,603 0.014,604 0.468,605 0.33,606 1,607 0.813,608 111.361,609 -0.045,610 -0.047,611 0.04,612 0.02,613 -0.13,614 0.041,615 0.198,616 0.006,617 0.192,618 0.068,619 0.143,620 0.115,621 -0.155,622 -0.102,623 -0.021,625 -0.062,626 0.011,627 0.012,628 0.135,629 -0.009,630 0.039,632 0.015,633 -0.211,634 -0.052,635 -0.196,636 -0.089,637 -0.063,638 -0.125,639 -0.163,640 -0.234,641 -0.296,642 -0.293,643 -0.146,644 -0.317,645 -0.122,646 -0.04,647 -0.17,648 -0.111,649 -0.153,650 -0.137,651 0.324,652 0.069,653 0.325,654 0.123,655 0.236,656 0.205,657 1.789,658 4.432,659 0.792,660 17.667,661 1.009,662 1.132,663 3.133,664 9.816,665 0.682,666 3.332,667 3.714,668 4.043,669 4.382,670 4.673,671 4.796,672 4.92,673 5.088,674 5.182,675 5.231,676 5.231,677 0.662,678 320.39,679 3.332,680 4.905,681 5.79,682 6.706,683 7.613,684 8.534,685 9.45,686 10.374,687 11.294,688 12.218,689 15,693 1,696 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,731 40,733 18,734 1,735 27,737 43,738 17,739 11,740 3,741 3,742 3,746 4,747 6,752 2,758 1,761 14,762 3,766 2,771 1,773 2,775 1,777 1,778 1,781 16,782 6,783 3,784 7,790 6,794 0.5,795 1,803 1,806 1,811 1,812 3,815 1,816 1,826 1,831 2,840 2,844 2,848 24,849 1,855 1,858 1,870 2.5,873 1,877 12.333,878 7.883,879 5.111,880 2.391,881 3.675,882 1.484,883 1.028,884 3.358,885 11.261,886 3.638,887 4.314,888 5.003,889 5.682,890 6.291,891 6.716,892 7.179,893 7.67,894 8.025,895 8.375,896 0.833,897 42,898 8.818,900 3.834,901 7.799,902 16.669,904 13.897,905 2.299,906 55.167,910 153.024,911 96.856,912 102.919,914 25.145,917 96.856,918 178.169,919 102.919,920 17.65,921 18.011,922 80.278,923 93.57,924 24.853,925 2.328,926 141.253,928 153.024,929 199.774,930 25.145,933 82.398,934 95.772,937 50.528,938 80.059,939 69.187,941 153.024,942 128.064,943 96.856,946 153.024,947 23.205,948 75.427,949 18.011,950 108.276,951 153.024,952 128.064,953 96.856,955 0.597,956 0.355,957 0.202,958 0.12,959 22,960 10,961 0.047,962 2,963 2,964 1.211,965 3.496,966 211.577,967 0.211,968 19,969 108.039,974 14.851,975 5.427,976 2.395,977 1.462,978 126.287,979 7.209,980 13.158,984 3.756,985 1.847,986 50.908,987 377.944,988 37,993 11.432,995 3.299,997 -0.123,999 40.356,1000 45.275,1001 0.3,1002 0.753,1003 0.877,1004 0.908,1005 0.908,1006 0.908,1007 4.898,1008 1.501,1009 5.808,1010 4.416,1011 4.394,1012 5.001,1013 1.176,1014 6.688,1015 4.332,1016 6.146,1017 1.064,1018 7.41,1019 4.065,1020 4.111,1021 4.945,1023 7.716,1024 4.03,1025 7.484,1026 0.827,1027 9.112,1028 2.761,1029 6.052,1030 7.311,1031 1.255,1032 10.864,1033 5.929,1034 8.861,1035 0.694,1036 10.872,1037 2.067,1038 6.567,1039 8.1,1041 12.736,1042 6.42,1043 10.271,1044 -0.108,1045 12.67,1046 1.685,1047 8.019,1048 9.956,1049 1.338,1050 15.421,1051 7.836,1052 11.707,1053 -0.302,1054 14.494,1055 -0.26,1056 8.899,1057 11.15,1059 17.648,1060 8.684,1061 13.162,1062 -0.618,1063 16.338,1064 -0.705,1065 10.169,1066 12.806,1067 1.422,1068 20.186,1069 9.92,1070 3.339,1071 -0.715,1072 18.199,1073 -1.82,1074 11.216,1075 14.191,1077 22.563,1078 10.933,1079 2.948,1080 12.088,1081 20.072,1082 -2,1083 12.422,1084 15.771,1085 1.51,1086 25.057,1087 12.105,1088 2.57,1089 9.449,1090 21.955,1091 4.732,1092 13.545,1093 17.244,1095 27.497,1096 13.192,1097 2.407,1098 8.608,1099 23.847,1100 3.973,1101 14.732,1102 18.798,1103 1.599,1104 29.982,1105 14.344,1106 2.08,1107 7.488,1108 25.747,1109 3.253,1110 15.891,1111 20.311,1113 32.449,1114 15.466,1115 1.742,1116 5.803,1117 27.653,1118 3.169,1119 17.075,1120 21.857,1121 1.69,1122 34.934,1123 16.615,1124 1.618,1125 4.818,1126 29.565,1127 2.756,1128 18.251,1129 23.389,1131 37.413,1132 17.754,1133 5640,1134 9607,1135 17.918,1136 27.296,1137 42.357,1138 42.951,1139 43.581,1140 41.563,1141 41.583,1142 56.094,1143 2.117,1144 126.496,1145 40.269,1146 5.589,1147 5.498,1148 6.567,1149 5.376,1150 5.339,1151 7.732,1152 2.117,1153 19.555,1154 5.223,1155 12.207,1156 1.569,1157 1.591,1158 1.614,1159 1.539,1160 1.54,1161 2.078,1162 0.078,1163 4.685,1164 1.491,1165 4.141,1166 4.186,1167 4.122,1168 4.017,1169 7.43,1170 4.034,1171 3.933,1172 3.967,1173 3.893,1174 3.812,1175 5.256,1176 3.83,1177 3.579,1178 3.656,1179 3.445,1180 3.418,1181 4.885,1182 3.41,1183 3.495,1184 3.527,1185 3.438,1186 3.352,1187 4.731,1188 3.364,1189 3.167,1190 3.253,1191 3.07,1192 2.951,1193 4.492,1194 2.974,1195 3.018,1196 3.112,1197 2.906,1198 2.794,1199 4.166,1200 2.819,1201 2.979,1202 3.055,1203 2.87,1204 2.679,1205 4.037,1206 2.719,1207 2.874,1208 3.009,1209 2.594,1210 2.618,1211 3.795,1212 2.57,1213 0.176,1214 0.13,1215 0.261,1216 0.159,1217 0.124,1218 4.761,1219 0.175,1220 3.498,1221 0.039,1222 7.039,1223 0.448,1224 4.303,1225 0.119,1226 3.339,1227 4.732,1228 1.058,1229 12.088,1230 3.223,1231 1.982,1232 1.961,1233 2.055,1234 2.071,1235 1.193,1236 2.066,1237 1.817,1238 1.772,1239 1.948,1240 2.015,1241 1.142,1242 1.989,1243 1.64,1244 1.578,1245 1.798,1246 1.842,1247 0.881,1248 1.838,1249 1.45,1250 1.411,1251 1.598,1252 1.621,1253 0.616,1254 1.614,1255 1.104,1256 1.041,1257 1.417,1258 1.372,1259 0.469,1260 1.349,1261 0.94,1262 0.876,1263 1.261,1264 1.239,1265 0.289,1266 1.308,1267 0.934,1268 0.804,1269 1.184,1270 1.225,1271 0.106,1272 1.226,1273 0.82,1274 0.749,1275 1.024,1276 1.152,1277 0.031,1278 1.126,1279 4.007,1281 5.371,1282 2.398,1283 6.934,1284 4.844,1285 8.592,1286 7.081,1287 10.3,1289 4.083,1293 6.088,1296 2.81,1299 0.146,1305 26.477,1306 63.88,1307 160.206,1308 186.612,1309 193.367,1310 193.367,1311 193.367,1312 33.734,1313 7.586,1314 102.48,1315 102.48,1316 23,1317 12.725,1318 4.248,1319 3.459,1320 33.701,1321 74,1322 84,1323 0.227,1324 162.682,1325 271.55,1326 388.704,1327 18888,1329 16.845,1330 0.702,1331 0.555,1332 16.845,1333 13.316,1334 11.542,1335 0.427,1336 0.284,1337 7.556,1338 11.084,1339 7.337,1340 6.115,1341 11.542,1342 7.665,1343 10.968,1344 0.274,1345 0.149,1346 10.968,1347 5.969,1348 9.315,1349 0.166,1350 0.072,1351 9.315,1352 4.004,1353 8.19,1354 0.104,1355 0.036,1356 8.19,1357 2.859,1358 7.068,1359 0.067,1360 0.019,1361 7.068,1362 2.029,1363 0.343,1364 72.379,1365 0.236,1366 22.807,1367 0.664,1368 134,1369 383.961,1370 147.704,1371 378.796,1372 531.49,1373 354,1374 163,1375 413.183,1376 177.289,1377 418.039,1378 616.97,1379 394,1380 4}
{0 CHEMBL1241864,1 1.567,2 9.385,3 2.524,4 6.373,5 101.325,6 7.873,7 0.533,8 3.925,9 4.053,10 3.553,11 3.482,12 5.044,13 3.479,14 4.466,15 4.629,16 3.957,17 3.918,18 5.562,19 3.891,20 4.74,21 4.959,22 3.99,23 4.014,24 5.762,25 3.963,26 4.721,27 4.957,28 3.968,29 3.969,30 5.793,31 3.923,32 4.626,33 4.835,34 3.869,35 3.941,36 5.685,37 3.888,38 4.585,39 4.782,40 3.807,41 3.911,42 5.651,43 3.846,44 4.646,45 4.883,46 3.696,47 3.87,48 5.619,49 3.772,50 4.613,51 4.892,52 3.454,53 3.713,54 5.562,55 3.573,56 0.069,57 0.736,58 8.218,59 3.558,60 8.826,61 4.597,62 0.197,63 1.204,64 15.599,65 6.441,66 21.638,67 8.646,68 0.262,69 1.451,70 23.751,71 8.223,72 33.701,73 11.554,74 0.404,75 1.431,76 24.086,77 7.669,78 40.504,79 10.889,80 0.258,81 1.318,82 20.466,83 6.91,84 32.428,85 9.529,86 0.243,87 1.276,88 19.045,89 6.834,90 33.317,91 9.28,92 0.244,93 1.291,94 21.928,95 7.587,96 32.678,97 10.897,98 0.371,99 1.145,100 23.617,101 7.841,102 45.304,103 11.552,104 5,105 44,106 0.267,107 0.67,108 0.789,109 0.847,110 0.847,111 0.847,112 3.306,113 0.883,114 -4.83,115 -4.74,116 -4.45,119 43.2,121 4,127 1,135 2,142 3,143 3,144 1,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 8,177 1,178 2,180 4,183 10,185 1,186 1,187 8,192 3,195 7,198 2,199 12,201 3,202 3,204 2,207 7,209 1,212 11,217 2,220 6,222 2,224 9,227 1,229 5,232 7,234 4,237 5,240 1,242 3,245 8,247 3,249 1,250 3,253 2,254 1,255 1,257 1,258 6,260 1,262 1,268 2,271 4,275 968,276 17.947,277 17.947,278 17.947,279 17.947,280 17.947,281 15.856,282 17.007,283 10.416,284 18.217,285 14.841,286 14.841,287 14.841,288 14.841,289 14.841,290 11.481,291 18.192,292 4.963,293 15.283,294 3.893,295 1.535,296 0.835,297 0.5,298 0.5,299 0.5,300 4.019,303 1,304 1,305 1,306 552,307 2.236,310 101.424,311 173.538,314 89.701,315 96.155,318 1.385,319 23.182,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 244,332 4.764,333 3.498,334 7.051,335 4.312,336 3.349,337 4.733,338 1.058,339 12.147,340 3.23,341 4.323,342 3.386,343 6.297,344 3.936,345 2.953,346 3.974,348 9.538,349 2.898,350 3.904,351 2.9,352 6.157,353 3.654,354 2.685,355 3.271,357 9.008,358 2.6,359 3.783,360 2.75,361 5.758,362 3.4,363 2.424,364 3.181,366 7.674,367 2.367,368 3.495,369 2.387,370 5.08,371 3.094,372 2.083,373 2.757,375 5.806,376 2.092,377 3.238,378 2.037,379 4.961,380 2.947,381 1.991,382 2.365,384 5.687,385 1.898,386 3.035,387 1.688,388 4.495,389 2.603,390 1.618,391 2.218,393 4.417,394 1.592,395 2.99,396 1.531,397 4.377,398 2.449,399 1.506,400 2.173,402 4.078,403 1.415,404 2.638,405 1.407,406 4.234,407 2.306,408 1.342,409 1.684,411 3.529,412 1.29,413 2.451,414 1.074,415 3.664,416 1.981,417 1.039,418 1.43,420 2.572,421 0.976,422 2.341,423 0.856,424 3.278,425 1.717,426 0.727,427 1.068,428 1.783,429 0.718,430 1.856,431 0.724,432 3.246,433 1.642,434 0.66,435 0.78,436 1.659,437 0.647,438 1.618,439 0.618,440 3,441 1.618,442 0.618,443 0.618,445 1.372,446 0.618,447 1.389,448 0.604,449 2.724,450 0.907,451 -0.108,452 -0.153,454 -0.26,455 -0.108,456 1.058,457 -0.145,458 2.463,459 0.617,460 -0.3,461 -0.389,463 -0.703,464 -0.275,465 12.233,466 0.471,467 0.64,468 0.025,469 35.75,470 1.375,471 18,472 0.692,473 17.75,474 0.683,475 20.172,476 0.776,477 26.767,478 0.608,479 25.203,480 0.969,481 6.595,482 0.254,483 6.108,484 0.235,485 0.06,487 0.401,493 0.778,494 1.18,495 0.727,496 0.943,497 0.672,498 0.84,499 0.595,500 1.141,501 0.778,502 1.041,503 0.467,504 0.956,505 0.964,506 1.172,507 0.892,508 1.009,509 0.779,510 0.949,511 0.958,512 0.85,513 0.878,514 0.789,515 0.762,516 0.805,517 1.163,518 1.067,519 1.09,520 0.985,521 0.868,522 1.005,523 1.105,524 1.168,525 1.194,526 1.152,527 1.055,528 1.176,529 0.837,530 1.153,531 1.123,532 1.172,533 0.738,534 1.179,535 0.676,536 0.824,537 1.028,538 1.006,539 0.664,540 1.057,541 4.5,542 0.073,543 3.111,544 1.882,545 1.98,546 0.796,547 0.549,548 0.448,549 0.19,550 0.17,551 7876,552 20057,553 2.216,554 40.9,555 4,556 6,558 1,559 3,561 4,564 1.696,565 2.108,566 3.197,567 0.974,568 1,569 1,573 68.936,574 1.567,575 3.924,576 4.624,577 4.959,578 4.959,579 4.959,580 2.676,581 4.393,582 4.671,583 3.323,584 1079.91,585 8.122,586 12800.1,588 1,590 1,591 240.215,592 1.296,593 4.648,594 0.15,595 0.007,596 0.071,597 0.043,598 0.046,599 0.02,600 0.015,601 0.014,602 0.008,603 0.01,604 0.385,605 0.33,606 0.88,607 0.465,608 124.213,609 -0.029,610 -0.009,611 0.051,612 0.043,613 -0.051,614 0.057,615 0.181,616 -0.043,617 0.064,618 -0.051,619 0.146,620 -0.023,621 -0.049,622 -0.171,623 0.062,624 -0.034,625 0.024,626 0.019,627 0.024,628 0.178,629 0.101,630 0.149,631 0.028,632 0.14,633 -0.235,634 -0.013,635 -0.167,636 -0.032,637 -0.083,638 -0.072,639 -0.205,640 -0.109,641 -0.293,642 -0.191,643 -0.19,644 -0.245,645 -0.078,646 -0.162,647 -0.167,648 -0.2,649 -0.101,650 -0.196,651 0.14,652 0.078,653 0.012,654 -0.019,655 0.075,656 -0.022,657 1.779,658 4.504,659 0.923,660 20.692,661 1.005,662 1.129,663 3.603,664 12.981,665 0.683,666 3.434,667 3.807,668 4.159,669 4.511,670 4.779,671 4.949,672 5.142,673 5.338,674 5.455,675 5.509,676 5.525,677 0.659,678 346.43,679 3.434,680 5.004,681 5.894,682 6.808,683 7.718,684 8.639,685 9.558,686 10.483,687 11.406,688 12.333,689 13.6,693 1,696 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,731 44,733 18,734 1,735 30,737 48,738 19,739 11,740 3,741 3,742 3,746 5,747 7,755 5,758 5,761 14,762 5,766 2,771 1,773 2,775 1,777 1,778 1,781 18,782 6,783 3,784 7,790 6,794 0.6,795 1,803 1,806 1,811 2,812 3,815 1,816 1,826 1,831 2,840 3,848 26,849 1,854 4,855 1,858 1,870 2.3,873 1,877 12.333,878 7.883,879 5.528,880 2.808,881 3.637,882 1.457,883 1.06,884 3.539,885 11.586,886 3.714,887 4.366,888 5.049,889 5.725,890 6.33,891 6.776,892 7.268,893 7.768,894 8.138,895 8.494,896 1,897 44,898 9.605,900 4.271,901 7.699,902 18.521,904 16.087,905 2.199,906 57.167,909 1,910 176.567,911 89.343,912 102.919,914 25.145,917 89.343,918 201.711,919 102.919,921 28.149,922 80.278,923 93.57,924 24.853,925 2.328,926 164.795,928 176.567,929 192.262,930 25.145,933 129.482,934 72.229,937 43.016,938 80.059,939 69.187,941 176.567,942 128.064,943 89.343,946 176.567,947 33.344,948 57.776,949 18.011,950 108.276,951 176.567,952 128.064,953 89.343,955 0.591,956 0.356,957 0.207,958 0.115,959 25,960 10,961 0.042,962 2,963 2,964 1.167,965 3.772,966 242.595,967 0.167,968 24,969 118.211,974 15.534,975 5.924,976 2.529,977 1.587,978 126.287,979 7.357,980 13.531,984 3.91,985 2.021,986 50.908,987 393.973,988 40,993 11.504,995 3.34,997 -0.112,999 44.24,1000 49.69,1001 0.287,1002 0.719,1003 0.847,1004 0.908,1005 0.908,1006 0.908,1007 4.977,1008 1.506,1009 5.894,1010 4.417,1011 4.489,1012 5.053,1013 1.176,1014 6.767,1015 4.432,1016 6.203,1017 1.342,1018 7.485,1019 4.078,1020 4.111,1021 4.945,1023 7.769,1024 4.03,1025 7.532,1026 1.039,1027 9.177,1028 3.529,1029 6.133,1030 7.334,1031 1.255,1032 10.933,1033 6.019,1034 8.902,1035 0.727,1036 10.931,1037 2.572,1038 6.608,1039 8.109,1041 12.802,1042 6.464,1043 10.307,1044 0.66,1045 12.725,1046 1.783,1047 8.089,1048 9.967,1049 1.338,1050 15.49,1051 7.912,1052 11.739,1053 0.618,1054 14.548,1055 1.659,1056 8.951,1057 11.157,1059 17.715,1060 8.74,1061 13.192,1062 -0.108,1063 16.391,1064 1.372,1065 10.231,1066 12.812,1067 1.422,1068 20.254,1069 9.987,1070 3.349,1071 -0.3,1072 18.251,1073 -0.26,1074 11.27,1075 14.196,1077 22.631,1078 10.99,1079 2.953,1080 12.147,1081 20.124,1082 -0.703,1083 12.479,1084 15.775,1085 1.51,1086 25.126,1087 12.164,1088 2.685,1089 9.538,1090 22.007,1091 4.733,1092 13.599,1093 17.248,1095 27.567,1096 13.246,1097 2.424,1098 9.008,1099 23.899,1100 3.974,1101 14.787,1102 18.801,1103 1.599,1104 30.054,1105 14.399,1106 2.083,1107 7.674,1108 25.799,1109 3.271,1110 15.945,1111 20.314,1113 32.523,1114 15.518,1115 1.991,1116 5.806,1117 27.705,1118 3.181,1119 17.13,1120 21.861,1121 1.69,1122 35.011,1123 16.667,1124 1.618,1125 5.687,1126 29.617,1127 2.757,1128 18.306,1129 23.393,1131 37.493,1132 17.805,1133 7236,1134 11701,1135 20.69,1136 30.057,1137 46.318,1138 47.189,1139 46.927,1140 46.012,1141 45.991,1142 60.501,1143 2.117,1144 138.539,1145 44.682,1146 5.666,1147 5.498,1148 6.646,1149 5.387,1150 5.349,1151 7.733,1152 2.117,1153 19.687,1154 5.23,1155 9.171,1156 1.544,1157 1.573,1158 1.564,1159 1.534,1160 1.533,1161 2.017,1162 0.071,1163 4.618,1164 1.489,1165 4.152,1166 4.198,1167 4.13,1168 4.025,1169 7.43,1170 4.043,1171 3.941,1172 3.975,1173 3.896,1174 3.832,1175 5.255,1176 3.844,1177 3.791,1178 3.848,1179 3.667,1180 3.673,1181 4.883,1182 3.666,1183 3.495,1184 3.528,1185 3.439,1186 3.359,1187 4.731,1188 3.37,1189 3.259,1190 3.348,1191 3.189,1192 2.991,1193 4.489,1194 3.028,1195 3.035,1196 3.117,1197 2.929,1198 2.844,1199 4.206,1200 2.858,1201 2.98,1202 3.06,1203 2.886,1204 2.74,1205 4.097,1206 2.767,1207 2.869,1208 2.979,1209 2.654,1210 2.671,1211 3.81,1212 2.635,1213 0.159,1214 0.117,1215 0.235,1216 0.144,1217 0.112,1218 4.764,1219 0.158,1220 3.498,1221 0.035,1222 7.051,1223 0.405,1224 4.312,1225 0.108,1226 3.349,1227 4.733,1228 1.058,1229 12.147,1230 3.23,1231 1.982,1232 1.961,1233 2.055,1234 2.071,1235 1.244,1236 2.066,1237 1.811,1238 1.769,1239 1.896,1240 2.004,1241 1.211,1242 1.972,1243 1.618,1244 1.564,1245 1.86,1246 1.814,1247 1.189,1248 1.803,1249 1.577,1250 1.507,1251 1.774,1252 1.751,1253 0.891,1254 1.793,1255 1.445,1256 1.408,1257 1.595,1258 1.611,1259 0.618,1260 1.607,1261 1.1,1262 1.039,1263 1.257,1264 1.355,1265 0.3,1266 1.336,1267 0.939,1268 0.876,1269 1.183,1270 1.225,1271 0.143,1272 1.226,1273 0.82,1274 0.751,1275 1.025,1276 1.149,1277 0.094,1278 1.123,1279 4.111,1281 5.468,1282 3.045,1283 7.024,1284 5.352,1285 8.675,1286 7.455,1287 10.377,1293 6.187,1295 4.648,1296 2.836,1299 0.359,1305 29.004,1306 68.936,1307 172.666,1308 203.46,1309 218.215,1310 218.215,1311 218.215,1312 35.553,1313 7.95,1314 102.48,1315 102.48,1316 28,1317 12.838,1318 4.248,1319 3.459,1320 33.718,1321 84,1322 98,1323 0.196,1324 174.473,1325 293.79,1326 417.475,1327 29806,1329 17.673,1330 0.68,1331 0.544,1332 17.673,1333 14.144,1334 12.704,1335 0.423,1336 0.294,1337 8.718,1338 12.254,1339 8.592,1340 7.071,1341 12.704,1342 8.827,1343 11.769,1344 0.267,1345 0.155,1346 11.769,1347 6.814,1348 10.464,1349 0.166,1350 0.082,1351 10.464,1352 5.186,1353 9.351,1354 0.104,1355 0.043,1356 9.351,1357 3.903,1358 7.697,1359 0.065,1360 0.021,1361 7.697,1362 2.42,1363 0.297,1364 79.349,1365 0.22,1366 24.509,1367 0.571,1368 148,1369 397.961,1370 161.704,1371 392.317,1372 553.65,1373 368,1374 181,1375 431.183,1376 195.622,1377 435.311,1378 645.85,1379 412,1380 4}
{0 CHEMBL1241943,1 1.665,2 9.885,3 2.706,4 7.322,5 103.47,6 7.934,7 0.552,8 3.972,9 4.104,10 3.588,11 3.487,12 5.07,13 3.473,14 4.513,15 4.696,16 3.974,17 3.915,18 5.547,19 3.87,20 4.806,21 5.034,22 4.077,23 4.051,24 5.82,25 3.972,26 4.844,27 5.103,28 3.921,29 3.991,30 5.809,31 3.891,32 4.737,33 5,34 3.839,35 3.892,36 5.686,37 3.812,38 4.663,39 4.893,40 3.915,41 3.883,42 5.721,43 3.821,44 4.692,45 4.932,46 3.896,47 3.886,48 5.776,49 3.793,50 4.6,51 4.83,52 3.79,53 3.792,54 5.651,55 3.68,56 0.098,57 0.75,58 9.41,59 3.883,60 11.205,61 5.247,62 0.217,63 1.192,64 18.294,65 6.847,66 20.126,67 9.56,68 0.38,69 1.407,70 29.556,71 9.327,72 43.474,73 13.394,74 0.482,75 1.41,76 32.586,77 9.418,78 47.148,79 13.846,80 0.429,81 1.3,82 26.655,83 7.663,84 38.718,85 11.713,86 0.404,87 1.252,88 23.845,89 6.806,90 36.403,91 10.237,92 0.49,93 1.202,94 25.981,95 7.724,96 53.546,97 11.406,98 0.4,99 1.039,100 25.054,101 7.479,102 49.279,103 10.684,104 10,105 41,106 0.284,107 0.668,108 0.811,109 0.897,110 0.897,111 0.897,112 3.305,113 0.949,114 -4.85,115 -4.76,116 -4.47,119 38.3,121 3,122 1,125 3,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 6,177 1,178 1,180 4,183 6,185 1,186 1,187 5,192 5,195 6,198 2,199 8,201 3,202 3,204 2,207 3,209 1,212 8,215 2,217 3,220 2,222 2,224 6,227 2,229 2,232 5,234 2,237 3,240 3,241 1,242 2,244 1,245 5,247 1,250 3,255 4,258 4,260 2,263 1,266 1,267 1,268 4,270 1,271 4,273 1,275 980,276 17.706,277 17.706,278 17.706,279 17.706,280 17.706,281 15.746,282 16.752,283 10.422,284 18.165,285 14.31,286 14.31,287 14.31,288 14.31,289 14.31,290 11.362,291 13.708,292 4.957,293 15.129,294 3.89,295 1.641,296 0.804,297 0.298,298 0.298,299 0.298,300 4.003,301 1,303 1,304 1,305 1,306 560,307 2.55,310 52.327,311 218.001,314 99.939,318 1.518,319 26.127,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.333,331 257,332 4.746,333 3.353,334 7.001,335 4.28,336 3.314,337 4.723,338 0.4,339 11.956,340 3.2,341 4.211,342 3.168,343 6.081,344 3.752,345 2.815,346 3.878,348 8.748,349 2.633,350 3.729,351 2.615,352 5.803,353 3.523,354 2.539,355 3.143,357 7.706,358 2.498,359 3.673,360 2.479,361 5.573,362 3.282,363 2.348,364 3.081,366 7.119,367 2.166,368 3.492,369 2.405,370 5.329,371 3.226,372 2.288,373 2.509,375 6.856,376 2.118,377 2.999,378 1.882,379 4.488,380 2.516,381 1.565,382 2.237,384 4.214,385 1.488,386 2.82,387 1.726,388 4.465,389 2.444,390 1.508,391 1.948,393 4.043,394 1.406,395 2.79,396 1.541,397 4.038,398 2.347,399 1.414,400 1.884,402 3.512,403 1.289,404 2.517,405 1.478,406 3.705,407 2.3,408 1.351,409 1.52,411 3.117,412 1.27,413 2.436,414 1.138,415 3.606,416 1.957,417 1.027,418 1.422,420 2.558,421 0.954,422 2,423 1.082,424 3.247,425 1.953,426 1,427 1,428 2.136,429 0.939,430 1.66,431 0.631,432 3.097,433 1.515,434 0.536,435 0.588,436 1.286,437 0.523,438 1.371,439 0.545,440 2.736,441 0.925,442 0.103,443 0.125,445 0.227,446 0.072,447 1.064,448 -0.114,449 2.459,450 0.652,451 -0.265,452 -0.326,454 -0.628,455 -0.242,456 0.784,457 -0.273,458 2.375,459 0.423,460 -0.523,461 -0.578,463 -1.24,464 -0.493,465 12.448,466 0.479,467 0.627,468 0.024,469 32.5,470 1.25,471 15,472 0.577,473 17.5,474 0.673,475 22.725,476 0.874,477 28.352,478 0.603,479 22.85,480 0.879,481 5.986,482 0.23,483 6.645,484 0.256,485 0.116,487 0.353,493 0.9,494 1.299,495 0.665,496 0.95,497 0.93,498 0.89,499 0.752,500 1.144,501 0.712,502 0.966,503 0.544,504 0.942,505 0.791,506 1.176,507 0.802,508 1.029,509 0.642,510 0.969,511 0.847,512 0.973,513 0.916,514 0.968,515 0.727,516 0.958,517 0.897,518 0.978,519 0.683,520 0.778,521 0.674,522 0.83,523 0.984,524 1.101,525 0.813,526 0.928,527 0.974,528 0.962,529 0.82,530 0.973,531 0.84,532 0.938,533 0.854,534 0.988,535 1.027,536 1.078,537 0.963,538 1.113,539 1.228,540 1.121,541 4.5,542 0.095,543 3.111,544 1.854,545 1.673,546 0.747,547 0.617,548 0.534,549 0.228,550 0.117,551 7770,552 21065,553 2.124,554 44.7,555 2,556 9,558 1,559 4,561 5,564 1.695,565 2,566 3.274,567 1.773,568 1,569 1,573 78.259,574 1.665,575 3.914,576 4.751,577 5.257,578 5.257,579 5.257,580 2.763,581 4.393,582 4.668,583 3.418,584 1110.82,585 8.116,586 13577.4,588 1,590 1,591 261.066,592 1.37,593 4.637,594 0.155,595 0.007,596 0.076,597 0.044,598 0.045,599 0.021,600 0.017,601 0.016,602 0.008,603 0.006,604 0.397,606 1,607 0.54,608 125.705,609 -0.079,610 -0.036,611 0.013,612 0.047,613 -0.093,614 0.051,615 0.02,616 0.02,617 0.036,618 0.014,619 0.1,620 0.014,621 0.069,622 -0.164,623 0.088,624 -0.043,625 0.167,626 0.017,627 0.037,628 0.006,629 -0.003,630 -0.022,631 0.064,632 0.013,633 -0.034,634 0.034,635 0.069,636 0.12,637 0.055,638 0.114,639 -0.044,640 -0.013,641 -0.021,642 -0.026,643 -0.072,644 -0.044,645 0.132,646 0.047,647 0.033,648 0.002,649 0.111,650 -0.036,651 0.004,652 -0.108,653 0.002,654 -0.12,655 -0.053,656 -0.137,657 1.657,658 3.947,659 0.808,660 23,661 1.007,662 1.138,663 3.618,664 13.091,665 0.669,666 3.401,667 3.738,668 4.043,669 4.331,670 4.595,671 4.682,672 4.836,673 5.011,674 5.075,675 5.088,676 5.879,677 0.636,678 372.9,679 3.401,680 4.949,681 5.814,682 6.703,683 7.591,684 8.491,685 9.39,686 10.296,687 11.203,688 12.114,689 12.8,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 47,733 16,734 1,735 29,737 50,738 18,739 11,740 3,741 3,746 4,747 5,748 1,755 2,756 1,758 3,761 11,762 7,763 1,777 1,778 1,781 21,782 6,783 4,784 8,785 1,790 6,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,835 1,840 3,845 1,848 26,849 1,853 1,854 6,855 1,858 1,869 1,870 2.1,872 1,877 13,878 8.143,879 5.667,880 2.899,881 3.041,882 1.406,883 0.989,884 4.982,885 10.532,886 3.638,887 4.273,888 4.919,889 5.563,890 6.142,891 6.529,892 6.982,893 7.449,894 7.725,895 7.986,896 0.857,897 42,898 9.603,900 4.157,901 7.716,902 18.489,904 15.622,905 2.216,906 57.611,909 1,910 200.109,911 67.027,912 102.919,913 39.149,914 42.683,917 67.027,918 281.941,919 102.919,921 13.921,922 79.337,923 106.404,924 22.411,925 2.328,926 188.338,927 39.149,928 200.109,929 169.946,930 42.683,931 39.149,933 141.253,934 101.539,937 46.799,938 72.913,939 89.383,941 200.109,942 145.602,943 106.176,946 200.109,947 29.98,948 38.824,949 18.011,950 164.963,951 200.109,952 145.602,953 106.176,955 0.584,956 0.347,957 0.187,958 0.107,959 21,960 9,961 0.08,962 4,963 1,964 1.095,965 3.779,966 226.829,967 0.095,968 21,969 122.211,974 17.527,975 7.39,976 3.527,977 1.418,978 143.825,979 6.503,980 13.244,984 2.079,985 1.892,986 93.591,987 451.886,988 37,999 47.331,1000 53.465,1001 0.3,1002 0.705,1003 0.855,1004 0.946,1005 0.946,1006 0.946,1007 4.883,1008 1.414,1009 5.802,1010 4.043,1011 4.419,1012 4.959,1013 0.278,1014 6.637,1015 4.314,1016 6.094,1017 1.351,1018 7.375,1019 3.512,1020 4.007,1021 4.856,1023 7.594,1024 3.833,1025 7.413,1026 1.027,1027 9.051,1028 3.117,1029 6.028,1030 7.234,1031 0.05,1032 10.74,1033 5.843,1034 8.775,1035 1,1036 10.79,1037 2.558,1038 6.463,1039 8.021,1041 12.586,1042 6.217,1043 10.174,1044 0.536,1045 12.57,1046 2.136,1047 7.951,1048 9.88,1049 0.008,1050 15.265,1051 7.691,1052 11.602,1053 0.103,1054 14.381,1055 1.286,1056 8.781,1057 11.08,1059 17.486,1060 8.473,1061 13.052,1062 -0.265,1063 16.213,1064 0.227,1065 10.063,1066 12.738,1067 0.001,1068 20.021,1069 9.734,1070 3.314,1071 -0.523,1072 18.064,1073 -0.628,1074 11.082,1075 14.128,1077 22.398,1078 10.712,1079 2.815,1080 11.956,1081 19.928,1082 -1.24,1083 12.288,1084 15.711,1086 24.891,1087 11.893,1088 2.539,1089 8.748,1090 21.805,1091 4.723,1092 13.395,1093 17.187,1095 27.33,1096 12.965,1097 2.348,1098 7.706,1099 23.693,1100 3.878,1101 14.58,1102 18.743,1104 29.812,1105 14.12,1106 2.288,1107 7.119,1108 25.588,1109 3.143,1110 15.729,1111 20.258,1113 32.276,1114 15.236,1115 1.565,1116 6.856,1117 27.491,1118 3.081,1119 16.91,1120 21.806,1122 34.755,1123 16.387,1124 1.508,1125 4.214,1126 29.401,1127 2.509,1128 18.08,1129 23.339,1131 37.229,1132 17.524,1133 7388,1134 12383,1135 19.592,1136 31.438,1137 43.717,1138 44.478,1139 45.007,1140 43.681,1141 43.62,1142 56.117,1143 0.8,1144 126.957,1145 41.111,1146 5.746,1147 5.353,1148 6.803,1149 5.353,1150 5.314,1151 7.723,1152 0.8,1153 19.328,1154 5.2,1155 11.213,1156 1.507,1157 1.534,1158 1.552,1159 1.506,1160 1.504,1161 1.935,1162 0.028,1163 4.378,1164 1.418,1165 4.132,1166 4.18,1167 4.129,1168 3.996,1169 6.471,1170 4.017,1171 3.862,1172 3.92,1173 3.946,1174 3.757,1175 5.255,1176 3.759,1177 3.827,1178 3.855,1179 3.718,1180 3.702,1181 4.891,1182 3.7,1183 3.463,1184 3.55,1185 3.374,1186 3.261,1187 4.808,1188 3.26,1189 3.22,1190 3.298,1191 3.311,1192 3.015,1193 4.516,1194 3.036,1195 3.055,1196 3.155,1197 3.033,1198 2.868,1199 4.383,1200 2.863,1201 3.026,1202 3.12,1203 2.877,1204 2.758,1205 4.213,1206 2.76,1207 2.932,1208 3.004,1209 2.812,1210 2.746,1211 3.807,1212 2.748,1213 0.164,1214 0.116,1215 0.241,1216 0.148,1217 0.114,1218 4.746,1219 0.163,1220 3.353,1221 0.014,1222 7.001,1223 0.412,1224 4.28,1225 0.11,1226 3.314,1227 4.723,1228 0.4,1229 11.956,1230 3.2,1231 1.924,1232 1.907,1233 2.079,1234 2.056,1235 1.458,1236 2.062,1237 1.869,1238 1.811,1239 1.977,1240 2.011,1241 1.124,1242 2.005,1243 1.755,1244 1.712,1245 1.84,1246 1.934,1247 1.08,1248 1.917,1249 1.49,1250 1.417,1251 1.71,1252 1.726,1253 0.856,1254 1.722,1255 1.189,1256 1.125,1257 1.437,1258 1.428,1259 0.699,1260 1.431,1261 1.038,1262 0.954,1263 1.356,1264 1.327,1265 0.569,1266 1.353,1267 0.973,1268 0.882,1269 1.202,1270 1.226,1271 0.264,1272 1.224,1273 0.883,1274 0.839,1275 1.15,1276 1.194,1277 0.156,1278 1.192,1279 4.078,1281 5.407,1282 2.398,1283 6.938,1284 4.844,1285 8.561,1286 7.066,1287 10.232,1290 5.928,1293 6.112,1294 9.947,1295 6.4,1296 3.444,1299 0.644,1305 29.885,1306 78.259,1307 183.94,1308 223.291,1309 247.066,1310 247.066,1311 247.066,1312 42.522,1313 7.491,1314 101.88,1315 101.88,1316 23,1317 12.63,1318 4.087,1319 3.17,1320 37.841,1321 91,1322 97,1323 0.207,1324 186.462,1325 309.34,1326 446.728,1327 17222,1328 2.1,1329 18.096,1330 0.696,1331 0.58,1332 18.596,1333 15.077,1334 12.631,1335 0.436,1336 0.316,1337 8.709,1338 11.878,1339 8.543,1340 7.036,1341 12.92,1342 9.176,1343 11.418,1344 0.278,1345 0.173,1346 11.789,1347 7.104,1348 9.938,1349 0.177,1350 0.094,1351 10.367,1352 5.246,1353 8.196,1354 0.109,1355 0.049,1356 8.347,1357 3.641,1358 6.903,1359 0.07,1360 0.027,1361 7.097,1362 2.627,1363 0.317,1364 82.219,1365 0.226,1366 24.832,1367 0.59,1368 140,1369 384.579,1370 168.114,1371 407.525,1372 554.75,1373 380,1374 167,1375 397.961,1376 193.314,1377 411.634,1378 606.63,1379 388,1380 5.434}
{0 CHEMBL1241944,1 1.631,2 8,3 2.038,4 4.152,5 83.995,6 8.176,7 0.667,8 3.711,9 3.836,10 3.347,11 3.231,12 4.995,13 3.242,14 4.176,15 4.348,16 3.726,17 3.605,18 5.361,19 3.606,20 4.397,21 4.583,22 3.834,23 3.731,24 5.64,25 3.729,26 4.505,27 4.722,28 3.819,29 3.742,30 5.821,31 3.717,32 4.417,33 4.63,34 3.613,35 3.674,36 5.582,37 3.623,38 4.331,39 4.525,40 3.562,41 3.609,42 5.526,43 3.553,44 4.432,45 4.693,46 3.319,47 3.503,48 5.645,49 3.387,50 4.229,51 4.537,52 2.933,53 3.149,54 5.31,55 3.006,56 0.099,57 0.596,58 6.227,59 2.712,60 14.594,61 3.335,62 0.182,63 0.911,64 11.418,65 4.509,66 21.941,67 5.977,68 0.244,69 1.084,70 14.96,71 5.129,72 27.545,73 6.855,74 0.417,75 1.151,76 18.138,77 5.771,78 60.742,79 7.987,80 0.342,81 1.043,82 16.185,83 5.067,84 45.859,85 6.945,86 0.228,87 0.962,88 13.955,89 5.116,90 26.565,91 6.943,92 0.445,93 0.916,94 18.992,95 5.817,96 63.59,97 8.499,98 0.31,99 0.641,100 18.403,101 5.608,102 48.63,103 8.342,104 30,105 35,106 0.292,107 0.735,108 0.805,109 0.829,110 0.829,111 0.829,112 3.148,113 0.843,114 -3.81,115 -3.77,116 -3.58,119 41.7,120 2,127 1,142 3,143 3,144 1,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 8,177 1,178 1,180 3,183 6,185 1,186 1,187 6,192 2,195 4,198 2,199 9,201 3,202 4,204 2,207 3,209 1,212 7,215 1,217 3,220 3,222 2,224 5,227 1,229 3,232 4,234 3,236 1,237 3,240 2,241 1,242 1,244 1,245 2,247 1,249 1,255 2,258 2,262 2,265 1,266 1,275 614,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.671,282 13.663,283 8.336,284 14.95,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.616,291 10.273,292 3.803,293 12.246,294 3.539,295 1.067,296 0.674,297 0.542,298 0.542,299 0.542,300 3.822,303 1,304 1,305 1,306 371,307 2.828,310 43.076,311 115.366,314 82.187,318 1.182,319 25.227,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48,331 176,332 4.76,333 4.071,334 7.039,335 4.302,336 3.338,337 4.732,338 2.035,339 12.087,340 3.219,341 4.283,342 3.375,343 6.197,344 3.833,345 2.858,346 3.941,348 9.078,349 2.783,350 3.842,351 2.923,352 6.004,353 3.498,354 2.542,355 3.229,357 8.342,358 2.428,359 3.744,360 2.663,361 5.697,362 3.308,363 2.344,364 3.14,366 7.397,367 2.256,368 3.277,369 2.393,370 4.82,371 2.684,372 1.743,373 2.298,375 4.818,376 1.637,377 3.025,378 1.821,379 4.502,380 2.491,381 1.542,382 2.133,384 4.244,385 1.458,386 2.956,387 1.674,388 4.148,389 2.416,390 1.461,391 2.043,393 3.648,394 1.389,395 2.735,396 1.524,397 3.86,398 2.023,399 1.077,400 1.581,402 2.764,403 1.016,404 2.501,405 1.076,406 3.493,407 1.803,408 0.836,409 1.138,411 2.067,412 0.806,413 2.122,414 0.858,415 2.952,416 1.507,417 0.56,418 0.939,420 0.985,421 0.528,422 1.262,423 0.451,424 2.597,425 0.672,426 -0.257,427 -0.353,428 -0.474,429 -0.237,430 1.057,431 -0.15,432 2.423,433 0.602,434 -0.311,435 -0.439,436 -0.695,437 -0.283,438 0.779,439 -0.351,440 2.265,441 0.344,442 -0.611,443 -0.824,445 -1.676,446 -0.58,447 0.61,448 -0.739,449 2.233,450 0.093,451 -0.846,452 -1,454 -2,455 -0.79,456 0.208,457 -0.891,458 2,460 -1,461 -1.15,463 -2.339,464 -1,465 10.233,466 0.465,467 0.648,468 0.029,469 32.5,470 1.477,471 18,472 0.818,473 14.5,474 0.659,475 15.189,476 0.69,477 22.767,478 0.632,479 22.888,480 1.04,481 6.188,482 0.281,483 4.336,484 0.197,485 0.208,487 0.43,493 0.944,494 1.195,495 0.744,496 0.951,497 0.855,498 0.838,499 0.675,500 1.051,501 0.619,502 0.887,503 0.478,504 0.765,505 1.079,506 1.215,507 0.854,508 0.986,509 0.729,510 0.89,511 0.915,512 0.944,513 0.926,514 0.926,515 0.777,516 0.922,517 1.162,518 1.03,519 1.223,520 1.017,521 0.97,522 1.095,523 0.926,524 1.312,525 1.172,526 1.349,527 0.764,528 1.309,529 0.843,530 0.865,531 1.195,532 1.097,533 0.82,534 1.186,535 0.932,536 0.753,537 0.798,538 0.873,539 0.996,540 0.843,541 4.5,542 0.012,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.386,549 0.204,550 0.066,551 4197,552 13302,553 2.017,554 38.9,556 4,558 1,559 3,561 6,564 1.652,565 1.833,566 2.976,567 1.114,568 1,569 1,571 1,573 58.701,574 1.631,575 4.103,576 4.496,577 4.628,578 4.628,579 4.628,580 2.461,581 4.278,582 4.429,583 3.1,584 716.165,585 7.646,586 7561.51,587 1,588 1,590 1,591 186.117,592 1.544,593 4.36,594 0.188,595 0.004,596 0.089,597 0.057,598 0.051,599 0.031,600 0.021,601 0.02,602 0.016,603 0.009,604 0.486,605 0.67,606 1,607 1.003,608 98.516,609 -0.096,610 -0.034,611 0.011,612 0.045,613 -0.13,614 0.044,615 0.109,616 0.038,617 0.223,618 0.108,619 0.082,620 0.171,621 -0.129,622 -0.154,623 0.033,624 -0.027,625 0.003,626 0.026,627 0.08,628 0.081,629 0.025,630 0.01,631 0.114,632 0.006,633 -0.234,634 0.008,635 -0.301,636 -0.078,637 -0.147,638 -0.172,639 -0.078,640 -0.288,641 -0.283,642 -0.372,643 -0.069,644 -0.364,645 0.12,646 0.034,647 -0.15,648 -0.128,649 0.057,650 -0.173,651 0.119,652 -0.043,653 0.396,654 0.177,655 0.118,656 0.307,657 1.761,658 3.89,659 0.682,660 15.355,661 1.013,662 1.135,663 2.578,664 6.646,665 0.682,666 3.219,667 3.584,668 3.912,669 4.22,670 4.466,671 4.605,672 4.682,673 4.771,674 4.754,675 4.673,676 4.839,677 0.665,678 294.35,679 3.219,680 4.779,681 5.659,682 6.569,683 7.475,684 8.393,685 9.308,686 10.23,687 11.148,688 12.072,689 16.7,693 1,697 1,698 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,713 1,722 1,728 1,731 36,733 17,734 1,735 24,737 38,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,760 1,761 11,762 3,777 1,778 1,781 14,782 6,783 3,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 22,849 1,853 1,858 1,861 1,866 1,868 1,870 2.8,872 1,877 12,878 7.2,879 4.861,880 2.109,881 3.331,882 1.479,883 0.959,884 3.438,885 10.293,886 3.555,887 4.216,888 4.926,889 5.6,890 6.166,891 6.597,892 7.044,893 7.484,894 7.791,895 8.095,896 1,897 38,898 8.051,900 3.451,901 7.977,902 14.919,904 12.094,905 2.477,906 54.5,910 129.482,911 87.044,912 115.967,914 42.683,917 87.044,918 172.165,919 115.967,920 17.65,922 61.326,923 123.006,924 53.155,925 2.328,926 117.711,928 129.482,929 203.011,930 42.683,933 58.856,934 113.31,937 63.577,938 89.2,939 50.234,941 129.482,942 158.651,943 87.044,946 129.482,947 15.744,948 56.474,949 16.602,950 156.874,951 129.482,952 158.651,953 87.044,955 0.59,956 0.363,957 0.201,958 0.111,959 18,960 9,961 0.053,962 2,963 1,964 1.133,965 3.238,966 180.985,967 0.133,968 15,969 96.107,974 14.307,975 5.286,976 2.295,977 1.279,978 156.874,979 6.164,980 12.838,984 1.683,985 1.762,986 75.581,987 375.176,988 34,999 36.473,1000 40.86,1001 0.315,1002 0.794,1003 0.87,1004 0.895,1005 0.895,1006 0.895,1007 4.812,1008 1.077,1009 5.68,1010 3.648,1011 4.263,1012 4.902,1013 2.228,1014 6.567,1015 4.182,1016 6.073,1017 0.836,1018 7.292,1019 2.764,1020 4.007,1021 4.856,1023 7.633,1024 3.895,1025 7.415,1026 0.56,1027 9.006,1028 2.067,1029 5.927,1030 7.24,1031 3.563,1032 10.773,1033 5.778,1034 8.797,1035 -0.257,1036 10.777,1037 0.985,1038 6.479,1039 8.05,1041 12.67,1042 6.298,1043 10.211,1044 -0.311,1045 12.584,1046 -0.474,1047 7.912,1048 9.912,1049 4.962,1050 15.354,1051 7.698,1052 11.651,1053 -0.611,1054 14.417,1055 -0.695,1056 8.817,1057 11.12,1059 17.595,1060 8.568,1061 13.111,1062 -0.846,1063 16.269,1064 -1.676,1065 10.077,1066 12.778,1067 6.378,1068 20.136,1069 9.796,1070 3.338,1071 -1,1072 18.135,1073 -2,1074 11.139,1075 14.171,1077 22.522,1078 10.821,1079 2.858,1080 12.087,1081 20.014,1082 -2.339,1083 12.341,1084 15.752,1085 7.797,1086 25.02,1087 11.99,1088 2.542,1089 9.078,1090 21.901,1091 4.732,1092 13.473,1093 17.229,1095 27.467,1096 13.085,1097 2.344,1098 8.342,1099 23.798,1100 3.941,1101 14.661,1102 18.784,1103 9.217,1104 29.956,1105 14.237,1106 1.743,1107 7.397,1108 25.701,1109 3.229,1110 15.825,1111 20.299,1113 32.428,1114 15.364,1115 1.542,1116 4.818,1117 27.61,1118 3.14,1119 17.012,1120 21.847,1121 10.638,1122 34.916,1123 16.515,1124 1.461,1125 4.244,1126 29.524,1127 2.298,1128 18.192,1129 23.38,1131 37.398,1132 17.658,1133 4232,1134 7644,1135 15.433,1136 24.534,1137 38.158,1138 39.784,1139 39.09,1140 36.647,1141 36.603,1142 50.349,1143 4.069,1144 110.861,1145 35.042,1146 5.43,1147 6.071,1148 6.58,1149 5.375,1150 5.338,1151 7.732,1152 4.069,1153 19.553,1154 5.219,1155 12.755,1156 1.59,1157 1.658,1158 1.629,1159 1.527,1160 1.525,1161 2.098,1162 0.17,1163 4.619,1164 1.46,1165 4.133,1166 4.18,1167 4.117,1168 3.999,1169 6.821,1170 4.02,1171 3.862,1172 3.888,1173 3.825,1174 3.76,1175 6.466,1176 3.775,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 5.254,1182 3.4,1183 3.271,1184 3.334,1185 3.228,1186 3.099,1187 4.871,1188 3.127,1189 3.075,1190 3.167,1191 2.99,1192 2.814,1193 4.59,1194 2.852,1195 2.973,1196 3.069,1197 2.865,1198 2.746,1199 4.425,1200 2.749,1201 2.93,1202 3.009,1203 2.804,1204 2.672,1205 4.06,1206 2.709,1207 2.874,1208 2.97,1209 2.499,1210 2.618,1211 3.697,1212 2.57,1213 0.198,1214 0.17,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 4.071,1221 0.085,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1228 2.035,1229 12.087,1230 3.219,1231 1.938,1232 1.92,1233 2.002,1234 2.039,1235 1.154,1236 2.022,1237 1.801,1238 1.754,1239 1.945,1240 1.987,1241 1.112,1242 1.974,1243 1.617,1244 1.553,1245 1.774,1246 1.814,1247 0.832,1248 1.813,1249 1.219,1250 1.171,1251 1.417,1252 1.433,1253 0.469,1254 1.402,1255 0.96,1256 0.877,1257 1.294,1258 1.282,1259 0.28,1260 1.308,1261 0.934,1262 0.839,1263 1.18,1264 1.239,1265 0.141,1266 1.26,1267 0.883,1268 0.804,1269 1.135,1270 1.148,1271 0.036,1272 1.131,1273 0.79,1274 0.721,1275 0.992,1276 1.122,1278 1.097,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 3.982,1293 5.983,1294 9.89,1299 0.095,1303 8.903,1304 1.921,1305 23.95,1306 58.701,1307 147.711,1308 161.853,1309 166.608,1310 166.608,1311 166.608,1312 38.438,1313 6.961,1314 113.64,1315 113.64,1316 17,1317 12.579,1318 4.17,1319 3.459,1320 34.208,1321 62,1322 74,1323 0.278,1324 150.891,1325 249.31,1326 359.934,1327 8101,1329 15.853,1330 0.721,1331 0.552,1332 15.853,1333 12.147,1334 10.524,1335 0.439,1336 0.281,1337 6.646,1338 10.089,1339 6.436,1340 5.389,1341 10.524,1342 6.748,1343 9.676,1344 0.276,1345 0.148,1346 9.676,1347 5.188,1348 8.311,1349 0.17,1350 0.069,1351 8.311,1352 3.399,1353 7.137,1354 0.107,1355 0.035,1356 7.137,1357 2.331,1358 5.65,1359 0.066,1360 0.018,1361 5.65,1362 1.576,1363 0.415,1364 66.218,1365 0.255,1366 21.024,1367 0.832,1368 118,1369 361.687,1370 130.234,1371 360.635,1372 496.39,1373 334,1374 143,1375 378.732,1376 156.289,1377 384.946,1378 562.64,1379 361,1380 7.066}
{0 CHEMBL1241945,1 1.752,2 7.286,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.955,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.408,19 3.565,20 4.392,21 4.581,22 3.827,23 3.651,24 5.766,25 3.665,26 4.469,27 4.693,28 3.751,29 3.66,30 5.702,31 3.643,32 4.37,33 4.587,34 3.595,35 3.611,36 5.536,37 3.569,38 4.304,39 4.495,40 3.569,41 3.546,42 5.576,43 3.503,44 4.409,45 4.676,46 3.303,47 3.401,48 5.689,49 3.294,50 4.189,51 4.506,52 2.85,53 2.967,54 5.403,55 2.821,56 0.131,57 0.635,58 6.202,59 2.778,60 13.804,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 23.873,67 5.897,68 0.479,69 1.143,70 15.674,71 5.053,72 55.247,73 6.63,74 0.509,75 1.165,76 18.326,77 5.641,78 55.723,79 7.539,80 0.404,81 1.067,82 15.716,83 4.979,84 41.248,85 6.914,86 0.331,87 1.029,88 13.618,89 5.013,90 30.203,91 6.761,92 0.58,93 0.955,94 19.202,95 5.477,96 70.874,97 8.112,98 0.503,99 0.666,100 18.798,101 5.502,102 67.114,103 7.824,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.843,114 -4.52,115 -4.44,116 -4.18,119 40,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 4,185 1,186 1,187 5,192 2,195 3,198 2,199 7,201 3,202 3,204 2,207 3,209 1,212 5,217 2,220 2,222 2,224 4,227 1,229 4,232 4,234 3,240 1,245 2,253 2,254 1,257 1,268 2,275 530,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 11.84,282 12.029,283 7.818,284 14.123,285 11.301,286 11.301,287 11.301,288 11.301,289 11.301,290 8.368,291 8.729,292 3.657,293 11.905,294 3.378,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.777,303 1,304 1,305 1,306 323,307 2.646,310 39.793,311 107.231,314 76.128,318 1.061,319 28.965,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 153,332 4.76,333 3.383,334 7.039,335 4.301,336 3.338,337 4.732,339 12.086,340 3.217,341 4.216,342 3.164,343 6.179,344 3.782,345 2.827,346 3.879,348 8.977,349 2.692,350 3.814,351 2.68,352 5.927,353 3.482,354 2.533,355 3.214,357 8.067,358 2.399,359 3.679,360 2.428,361 5.657,362 3.27,363 2.321,364 3.085,366 7.235,367 2.193,368 3.03,369 1.912,370 4.819,371 2.683,372 1.743,373 2.244,375 4.818,376 1.636,377 2.98,378 1.822,379 4.469,380 2.447,381 1.508,382 2.126,384 4.123,385 1.411,386 2.82,387 1.532,388 4.039,389 2.358,390 1.414,391 1.948,393 3.512,394 1.321,395 2.521,396 1.078,397 3.86,398 2.007,399 1.062,400 1.531,402 2.758,403 1.001,404 2.127,405 0.859,406 3.49,407 1.776,408 0.815,409 1.033,411 2.05,412 0.781,413 1.371,414 0.549,415 2.736,416 0.997,417 0.103,418 0.124,420 0.227,421 0.09,422 1.058,423 -0.125,424 2.427,425 0.616,426 -0.294,427 -0.374,428 -0.685,429 -0.267,430 0.781,431 -0.244,432 2.375,433 0.336,434 -0.595,435 -0.77,436 -1.604,437 -0.539,438 0.621,439 -0.741,440 2.256,441 0.119,442 -0.815,443 -1,445 -2,446 -0.755,447 0.227,448 -0.897,449 2.131,451 -1,452 -1.114,454 -2.268,455 -0.995,457 -1,458 1.805,459 -0.12,460 -1.062,461 -1.285,463 -3.043,464 -1,465 9.619,466 0.458,467 0.686,468 0.033,469 29,470 1.381,471 15,472 0.714,473 14,474 0.667,475 15.117,476 0.72,477 22.781,478 0.651,479 20.72,480 0.987,481 5.676,482 0.27,483 4.31,484 0.205,485 0.21,487 0.457,491 1,493 0.778,494 1.115,495 0.718,496 0.996,497 0.792,498 0.871,499 0.655,500 1.063,501 0.599,502 0.947,503 0.557,504 0.793,505 0.943,506 1.18,507 0.857,508 0.977,509 0.765,510 0.896,511 0.966,512 0.93,513 0.959,514 0.875,515 0.912,516 0.899,517 0.86,518 0.964,519 1.101,520 1.021,521 0.678,522 1.083,523 0.751,524 1.24,525 1.11,526 1.392,527 0.784,528 1.358,529 0.754,530 0.809,531 1.14,532 1.124,533 0.875,534 1.211,535 0.953,536 0.953,537 0.817,538 0.936,539 1.113,540 0.884,541 4.5,543 3.111,544 2.042,545 1.807,546 0.827,547 0.566,548 0.386,549 0.148,550 0.016,551 3654,552 12011,553 2.018,554 40,556 4,558 1,559 3,561 6,564 1.64,565 1.826,566 2.878,567 1.156,569 1,571 1,573 61.309,574 1.752,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.244,581 4.202,582 4.364,583 2.982,584 626.115,585 7.519,586 6413.99,587 1,588 1,590 1,591 179.525,592 1.545,593 4.289,594 0.196,596 0.092,597 0.057,598 0.055,599 0.03,600 0.022,601 0.023,602 0.015,603 0.005,604 0.493,605 0.5,606 1,607 0.911,608 91.933,609 -0.086,610 -0.056,611 0.01,612 0.034,613 -0.147,614 0.044,615 0.05,616 -0.058,617 0.22,618 0.055,619 0.063,620 0.155,622 -0.137,623 0.034,624 -0.017,625 0.116,626 0.019,627 -0.074,628 0.053,629 -0.023,630 0.059,631 -0.08,632 0.034,633 -0.117,634 0.013,635 -0.217,636 -0.071,637 -0.031,638 -0.141,639 0.015,640 -0.241,641 -0.254,642 -0.409,643 -0.029,644 -0.411,645 0.152,646 0.071,647 -0.111,648 -0.186,649 0.051,650 -0.213,651 0.231,652 -0.086,653 0.405,654 0.089,655 0.193,656 0.248,657 2.379,658 5.584,659 0.714,660 13.56,661 1.022,662 1.146,663 3.287,664 10.808,665 0.664,666 3.178,667 3.555,668 3.871,669 4.174,670 4.443,671 4.564,672 4.625,673 4.71,674 4.644,675 4.511,676 4.558,677 0.653,678 287.33,679 3.178,680 4.745,681 5.624,682 6.535,683 7.441,684 8.36,685 9.275,686 10.198,687 11.117,688 12.041,689 14.3,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,733 16,734 1,735 23,737 37,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,779 1,781 14,782 6,783 3,784 7,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 1,848 21,849 1,853 1,858 1,869 1,870 2.9,872 1,877 11.5,878 6.893,879 4.528,880 2.033,881 3.139,882 1.457,883 0.968,884 3.26,885 10.002,886 3.466,887 4.171,888 4.859,889 5.531,890 6.123,891 6.526,892 6.946,893 7.39,894 7.628,895 7.866,896 0.8,897 36,898 7.745,900 3.389,901 8.071,902 14.232,904 11.62,905 2.571,906 54,910 129.482,911 76.377,912 84.908,914 42.683,915 14.96,917 76.377,918 172.165,919 99.868,920 17.65,922 61.326,923 106.404,924 28.031,925 17.288,926 117.711,928 129.482,929 161.285,930 57.643,933 73.816,934 113.31,937 32.518,938 78.533,939 50.234,941 144.442,942 127.591,943 76.377,946 129.482,947 21.68,948 56.474,950 140.775,951 129.482,952 142.551,953 76.377,955 0.599,956 0.36,957 0.193,958 0.114,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.144,966 170.795,967 0.133,968 15,969 90.239,974 13.773,975 4.971,976 2.216,977 1.178,978 140.775,979 5.454,980 12.668,984 0.174,985 1.716,986 75.581,987 348.411,988 31,999 35.767,1000 40.117,1001 0.342,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.718,1008 1.062,1009 5.652,1010 3.512,1011 4.234,1012 4.856,1014 6.538,1015 4.135,1016 5.979,1017 0.815,1018 7.266,1019 2.758,1020 4.007,1021 4.856,1023 7.597,1024 3.858,1025 7.325,1026 0.103,1027 8.98,1028 2.05,1029 5.9,1030 7.201,1032 10.742,1033 5.719,1034 8.712,1035 -0.294,1036 10.751,1037 0.227,1038 6.463,1039 8.029,1041 12.635,1042 6.235,1043 10.132,1044 -0.595,1045 12.558,1046 -0.685,1047 7.886,1048 9.879,1050 15.326,1051 7.631,1052 11.577,1053 -0.815,1054 14.391,1055 -1.604,1056 8.796,1057 11.093,1059 17.569,1060 8.498,1061 13.041,1062 -1,1063 16.242,1064 -2,1065 10.054,1066 12.75,1068 20.115,1069 9.726,1070 3.338,1071 -1.062,1072 18.109,1073 -2.268,1074 11.117,1075 14.146,1077 22.504,1078 10.751,1079 2.827,1080 12.086,1081 19.987,1082 -3.043,1083 12.32,1084 15.729,1086 25.007,1087 11.922,1088 2.533,1089 8.977,1090 21.876,1091 4.732,1092 13.453,1093 17.208,1095 27.456,1096 13.019,1097 2.321,1098 8.067,1099 23.773,1100 3.879,1101 14.641,1102 18.765,1104 29.947,1105 14.175,1106 1.743,1107 7.235,1108 25.677,1109 3.214,1110 15.807,1111 20.281,1113 32.421,1114 15.305,1115 1.508,1116 4.818,1117 27.587,1118 3.085,1119 16.995,1120 21.831,1122 34.91,1123 16.459,1124 1.414,1125 4.123,1126 29.503,1127 2.244,1128 18.176,1129 23.366,1131 37.394,1132 17.605,1133 3681,1134 6793,1135 14.74,1136 23.228,1137 35.678,1138 36.059,1139 37.742,1140 35.34,1141 35.327,1142 47.83,1144 107.705,1145 33.479,1146 5.427,1147 5.383,1148 6.567,1149 5.374,1150 5.338,1151 7.732,1153 19.551,1154 5.217,1155 12.257,1156 1.551,1157 1.568,1158 1.641,1159 1.537,1160 1.536,1161 2.08,1163 4.683,1164 1.456,1165 4.132,1166 4.179,1167 4.116,1168 3.992,1169 8.201,1170 4.016,1171 3.845,1172 3.871,1173 3.808,1174 3.729,1175 6.465,1176 3.745,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 5.254,1182 3.399,1183 3.215,1184 3.291,1185 3.14,1186 2.985,1187 4.87,1188 3.02,1189 3.009,1190 3.115,1191 2.892,1192 2.733,1193 4.573,1194 2.738,1195 2.897,1196 3.009,1197 2.807,1198 2.694,1199 4.395,1200 2.732,1201 2.874,1202 2.956,1203 2.718,1204 2.618,1205 4.05,1206 2.617,1207 2.834,1208 2.883,1209 2.499,1210 2.595,1211 3.686,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.383,1222 7.039,1223 0.525,1224 4.301,1225 0.14,1226 3.338,1227 4.732,1229 12.086,1230 3.217,1231 1.922,1232 1.903,1233 1.986,1234 2.038,1235 1.152,1236 2.017,1237 1.793,1238 1.745,1239 1.944,1240 1.982,1241 1.098,1242 1.968,1243 1.608,1244 1.545,1245 1.767,1246 1.81,1247 0.821,1248 1.808,1249 1.141,1250 1.087,1251 1.417,1252 1.411,1253 0.469,1254 1.377,1255 0.934,1256 0.804,1257 1.257,1258 1.239,1259 0.255,1260 1.308,1261 0.879,1262 0.804,1263 1.155,1264 1.238,1265 0.131,1266 1.217,1267 0.856,1268 0.785,1269 1.084,1270 1.081,1271 0.033,1272 1.077,1273 0.761,1274 0.673,1275 0.99,1276 1.068,1278 1.059,1279 3.85,1281 5.209,1282 2.398,1283 6.767,1284 4.844,1285 8.418,1286 7.081,1287 10.117,1289 3.928,1291 13.584,1293 5.928,1294 9.302,1299 0.067,1305 22.839,1306 61.309,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 39.742,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.867,1321 56,1322 59,1323 0.289,1324 141.557,1325 232.36,1326 337.159,1327 7124,1328 2.9,1329 15.146,1330 0.721,1331 0.551,1332 14.276,1333 11.578,1334 9.986,1335 0.434,1336 0.281,1337 6.344,1338 9.484,1339 6.163,1340 5.141,1341 9.575,1342 6.463,1343 9.485,1344 0.279,1345 0.147,1346 8.977,1347 5.011,1348 8.038,1349 0.171,1350 0.069,1351 7.459,1352 3.228,1353 6.619,1354 0.103,1355 0.035,1356 6.355,1357 2.212,1358 5.55,1359 0.066,1360 0.018,1361 5.373,1362 1.521,1363 0.427,1364 63.502,1365 0.26,1366 20.069,1367 0.881,1368 114,1369 404.153,1370 129.371,1371 368.887,1372 501.13,1373 342,1374 138,1375 378.657,1376 154.309,1377 375.746,1378 553.84,1379 353,1380 7.036}
{0 CHEMBL1241946,1 1.565,2 7.364,3 2.166,4 4.692,5 86.966,6 7.574,7 0.667,8 3.767,9 3.901,10 3.349,11 3.297,12 4.938,13 3.285,14 4.268,15 4.457,16 3.731,17 3.666,18 5.39,19 3.646,20 4.463,21 4.656,22 3.81,23 3.785,24 5.627,25 3.759,26 4.557,27 4.776,28 3.81,29 3.82,30 5.71,31 3.772,32 4.526,33 4.747,34 3.668,35 3.79,36 5.585,37 3.719,38 4.458,39 4.663,40 3.601,41 3.728,42 5.606,43 3.647,44 4.533,45 4.803,46 3.346,47 3.618,48 5.565,49 3.488,50 4.356,51 4.66,52 3.035,53 3.341,54 5.412,55 3.167,56 0.053,57 0.623,58 7.654,59 3.186,60 8.759,61 4.309,62 0.154,63 0.961,64 14.254,65 5.264,66 19.41,67 7.416,68 0.219,69 1.125,70 17.853,71 5.792,72 31.238,73 8.213,74 0.329,75 1.205,76 20.357,77 6.594,78 40.39,79 9.452,80 0.225,81 1.144,82 19.632,83 6.336,84 30.407,85 9.247,86 0.2,87 1.077,88 17.766,89 6.124,90 34.098,91 8.862,92 0.313,93 1.031,94 21.554,95 6.425,96 41.767,97 9.79,98 0.33,99 0.762,100 19.411,101 6.242,102 52.662,103 9.542,104 30,105 35,106 0.277,107 0.66,108 0.781,109 0.817,110 0.826,111 0.826,112 3.148,113 0.886,114 -4.55,115 -4.47,116 -4.21,119 41,120 3,127 1,142 4,143 3,146 1,147 1,148 1,157 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 9,177 1,178 1,180 1,183 9,185 1,186 1,187 7,195 7,198 2,199 10,201 3,202 3,204 1,207 6,209 1,212 8,217 2,220 4,222 2,223 1,224 9,229 4,232 5,234 4,236 1,237 3,242 1,245 4,247 1,249 2,250 2,252 1,253 1,255 1,258 2,260 1,263 2,271 2,275 614,276 14.483,277 14.483,278 14.483,279 14.483,280 14.483,281 12.508,282 11.915,283 8.328,284 14.699,285 11.818,286 11.818,287 11.818,288 11.818,289 11.818,290 8.751,291 9.342,292 3.889,293 12.167,294 3.72,295 1.56,296 0.879,297 0.673,298 0.622,299 0.622,300 3.822,303 1,304 1,305 1,306 340,307 3.082,310 41.756,311 114.432,314 79.997,318 1.091,319 21.423,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 162,332 4.759,333 3.549,334 7.039,335 4.301,336 3.337,337 4.731,338 1.277,339 12.086,340 3.22,341 4.197,342 3.368,343 6.18,344 3.822,345 2.817,346 3.809,348 9.007,349 2.832,350 3.824,351 2.719,352 5.945,353 3.508,354 2.541,355 3.215,357 8.168,358 2.455,359 3.723,360 2.533,361 5.678,362 3.337,363 2.359,364 3.112,366 7.318,367 2.296,368 3.133,369 1.972,370 4.82,371 2.691,372 1.746,373 2.398,375 4.818,376 1.65,377 3.019,378 1.809,379 4.501,380 2.611,381 1.635,382 2.139,384 4.265,385 1.586,386 2.785,387 1.445,388 3.888,389 2.265,390 1.294,391 1.892,393 2.997,394 1.25,395 2.531,396 1.184,397 3.719,398 2.027,399 1,400 1.476,402 2.629,403 1.023,404 2.456,405 1,406 3.468,407 1.964,408 1,409 1.433,411 2.323,412 0.961,413 2.111,414 0.814,415 3.432,416 1.736,417 0.775,418 1.005,420 1.972,421 0.743,422 1.062,423 0.314,424 2.605,425 0.631,426 -0.286,427 -0.363,428 -0.667,429 -0.261,430 0.864,431 -0.151,432 2.417,433 0.412,434 -0.57,435 -0.779,436 -1.452,437 -0.557,438 0.707,439 -0.552,440 2.252,441 0.23,442 -0.77,443 -1,445 -2,446 -0.757,447 0.562,448 -0.716,449 2,450 0.093,451 -0.88,452 -1.02,454 -2,455 -0.837,456 0.409,457 -0.82,458 2,459 0.064,460 -1,461 -1.162,463 -2.153,464 -1,465 10.333,466 0.47,467 0.686,468 0.031,469 30.25,470 1.375,471 16,472 0.727,473 14.25,474 0.648,475 16.6,476 0.755,477 23.267,478 0.597,479 21.543,480 0.979,481 5.855,482 0.266,483 4.631,484 0.211,485 0.216,487 0.426,493 0.726,494 1.26,495 0.77,496 1.049,497 0.742,498 0.933,499 0.669,500 1.054,501 0.649,502 0.887,503 0.541,504 0.781,505 1.243,506 1.182,507 0.939,508 0.95,509 1.087,510 0.905,511 0.987,512 0.954,513 0.955,514 0.933,515 0.935,516 0.936,517 1.115,518 1.095,519 1.115,520 1.042,521 0.82,522 1.06,523 0.953,524 1.33,525 1.186,526 1.298,527 0.884,528 1.277,529 1.023,530 0.963,531 1.189,532 1.061,533 1.026,534 1.121,535 0.539,536 0.782,537 0.85,538 0.946,539 0.606,540 0.95,541 4.5,543 2.889,544 2.104,545 1.696,546 0.896,547 0.478,548 0.434,549 0.193,550 0.031,551 4149,552 11489,553 2.017,554 43.6,556 5,558 1,559 2,560 3,561 6,564 1.653,565 1.833,566 2.921,567 0.348,568 1,569 1,571 1,573 61.034,574 1.565,575 3.726,576 4.407,577 4.612,578 4.663,579 4.663,580 2.244,581 4.096,582 4.432,583 3.038,584 701.886,585 7.655,586 7486.84,587 1,588 1,590 1,591 206.131,592 1.544,593 4.36,594 0.188,596 0.083,597 0.057,598 0.047,599 0.029,600 0.017,601 0.022,602 0.014,603 0.005,604 0.461,605 0.5,606 1,607 1.003,608 98.298,609 0.01,610 -0.057,611 0.044,612 -0.014,613 -0.118,614 0.013,615 0.153,616 0.047,617 0.247,618 0.116,619 0.112,620 0.181,621 -0.156,622 -0.095,623 -0.011,624 0.013,625 -0.077,626 0.02,627 0.031,628 0.109,629 -0.006,630 0.015,631 -0.025,632 -0.004,633 -0.21,634 -0.047,635 -0.181,636 -0.079,637 -0.072,638 -0.112,639 -0.079,640 -0.276,641 -0.273,642 -0.318,643 -0.04,644 -0.325,645 -0.096,646 -0.015,647 -0.19,648 -0.122,649 -0.14,650 -0.154,651 0.352,652 0.02,653 0.203,654 0.045,655 0.361,656 0.095,657 1.654,658 4.598,659 0.682,660 14.818,661 1.004,662 1.133,663 3.319,664 11.013,665 0.668,666 3.219,667 3.584,668 3.892,669 4.205,670 4.466,671 4.585,672 4.673,673 4.745,674 4.7,675 4.635,676 4.753,677 0.641,678 295.38,679 3.219,680 4.779,681 5.652,682 6.561,683 7.463,684 8.38,685 9.293,686 10.213,687 11.131,688 12.053,689 12.8,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,716 1,722 1,731 39,733 17,734 1,735 24,737 41,738 16,739 11,740 2,741 4,742 1,746 3,747 4,752 3,758 1,761 12,762 4,766 1,771 1,775 1,777 1,778 1,781 17,782 5,783 2,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 22,849 1,858 1,870 2.6,873 1,877 12,878 8.05,879 4.778,880 2.35,881 3.267,882 1.469,883 0.983,884 3.572,885 10.226,886 3.526,887 4.201,888 4.882,889 5.558,890 6.145,891 6.548,892 6.996,893 7.418,894 7.676,895 7.966,896 0.8,897 37,898 8.089,900 3.426,901 7.818,902 15.262,904 12.37,905 2.318,906 51,910 176.567,911 93.877,912 84.908,914 25.145,917 93.877,918 201.711,919 84.908,920 26.476,922 70.802,923 93.999,924 22.096,925 2.328,926 164.795,928 176.567,929 178.785,930 25.145,933 105.94,934 95.772,937 41.343,938 87.208,939 50.234,941 176.567,942 110.053,943 93.877,946 176.567,947 20.878,948 74.776,950 108.276,951 176.567,952 110.053,953 93.877,955 0.593,956 0.352,957 0.194,958 0.114,959 18,960 9,961 0.073,962 3,963 1,964 1.133,965 3.233,966 181.061,967 0.133,968 15,969 96.107,974 14.519,975 5.412,976 2.468,977 1.419,978 108.276,979 8.792,980 13.023,984 2.559,985 1.823,986 32.897,987 380.496,988 33,993 11.598,997 0.013,999 39.138,1000 44.192,1001 0.296,1002 0.705,1003 0.834,1004 0.873,1005 0.882,1006 0.882,1007 4.771,1008 1,1009 5.673,1010 2.997,1011 4.263,1012 4.887,1013 1.45,1014 6.553,1015 4.209,1016 6.021,1017 1,1018 7.28,1019 2.629,1020 4.007,1021 4.844,1023 7.609,1024 3.943,1025 7.359,1026 0.775,1027 8.99,1028 2.323,1029 5.916,1030 7.204,1031 1.845,1032 10.752,1033 5.811,1034 8.738,1035 -0.286,1036 10.758,1037 1.972,1038 6.463,1039 8.009,1041 12.649,1042 6.343,1043 10.151,1044 -0.57,1045 12.564,1046 -0.667,1047 7.896,1048 9.868,1049 2.271,1050 15.335,1051 7.739,1052 11.59,1053 -0.77,1054 14.397,1055 -1.452,1056 8.796,1057 11.072,1059 17.579,1060 8.614,1061 13.051,1062 -0.88,1063 16.248,1064 -2,1065 10.057,1066 12.733,1067 2.72,1068 20.121,1069 9.841,1070 3.337,1071 -1,1072 18.115,1073 -2,1074 11.116,1075 14.125,1077 22.511,1078 10.867,1079 2.817,1080 12.086,1081 19.993,1082 -2.153,1083 12.319,1084 15.71,1085 3.184,1086 25.011,1087 12.034,1088 2.541,1089 9.007,1090 21.882,1091 4.731,1092 13.45,1093 17.189,1095 27.46,1096 13.128,1097 2.359,1098 8.168,1099 23.778,1100 3.809,1101 14.638,1102 18.748,1103 3.658,1104 29.95,1105 14.279,1106 1.746,1107 7.318,1108 25.682,1109 3.215,1110 15.803,1111 20.265,1113 32.423,1114 15.404,1115 1.635,1116 4.818,1117 27.592,1118 3.112,1119 16.99,1120 21.816,1121 4.138,1122 34.912,1123 16.554,1124 1.294,1125 4.265,1126 29.508,1127 2.398,1128 18.171,1129 23.352,1131 37.396,1132 17.695,1133 4185,1134 7073,1135 15.433,1136 26.051,1137 37.577,1138 37.857,1139 39.007,1140 37.022,1141 37.01,1142 50.422,1143 2.555,1144 111.166,1145 36.031,1146 5.445,1147 5.549,1148 6.583,1149 5.374,1150 5.337,1151 7.731,1152 2.555,1153 19.553,1154 5.22,1155 12.746,1156 1.566,1157 1.577,1158 1.625,1159 1.543,1160 1.542,1161 2.101,1162 0.106,1163 4.632,1164 1.501,1165 4.135,1166 4.181,1167 4.117,1168 4.003,1169 7.428,1170 4.023,1171 3.873,1172 3.902,1173 3.821,1174 3.77,1175 5.255,1176 3.782,1177 3.577,1178 3.655,1179 3.445,1180 3.408,1181 4.879,1182 3.401,1183 3.421,1184 3.465,1185 3.32,1186 3.242,1187 4.675,1188 3.252,1189 3.18,1190 3.268,1191 3.072,1192 2.959,1193 4.47,1194 2.981,1195 2.999,1196 3.109,1197 2.877,1198 2.694,1199 4.073,1200 2.73,1201 2.874,1202 3.009,1203 2.632,1204 2.638,1205 3.79,1206 2.625,1207 2.79,1208 2.867,1209 2.534,1210 2.618,1211 3.71,1212 2.57,1213 0.198,1214 0.148,1215 0.293,1216 0.179,1217 0.139,1218 4.759,1219 0.197,1220 3.549,1221 0.053,1222 7.039,1223 0.504,1224 4.301,1225 0.134,1226 3.337,1227 4.731,1228 1.277,1229 12.086,1230 3.22,1231 1.952,1232 1.933,1233 2.037,1234 2.044,1235 1.165,1236 2.036,1237 1.806,1238 1.759,1239 1.947,1240 1.997,1241 1.134,1242 1.982,1243 1.622,1244 1.558,1245 1.788,1246 1.823,1247 0.861,1248 1.823,1249 1.386,1250 1.337,1251 1.654,1252 1.603,1253 0.682,1254 1.618,1255 1.127,1256 1.06,1257 1.417,1258 1.391,1259 0.469,1260 1.369,1261 0.934,1262 0.804,1263 1.275,1264 1.239,1265 0.299,1266 1.308,1267 0.88,1268 0.785,1269 1.167,1270 1.216,1271 0.172,1272 1.21,1273 0.799,1274 0.724,1275 1.093,1276 1.063,1277 0.041,1278 1.059,1279 3.892,1281 5.242,1282 2.398,1283 6.79,1284 4.844,1285 8.431,1286 7.081,1287 10.124,1289 5.6,1293 6.034,1299 0.14,1305 24.983,1306 61.034,1307 145.302,1308 171.866,1309 179.866,1310 181.866,1311 181.866,1312 35.468,1313 6.959,1314 86.69,1315 86.69,1316 17,1317 12.561,1318 4.17,1319 3.322,1320 34.138,1321 61,1322 60,1323 0.282,1324 156.616,1325 258.25,1326 373.904,1327 8177,1329 15.853,1330 0.721,1331 0.579,1332 15.853,1333 12.739,1334 10.486,1335 0.437,1336 0.295,1337 6.995,1338 10.086,1339 6.714,1340 5.643,1341 10.486,1342 7.088,1343 9.888,1344 0.283,1345 0.157,1346 9.888,1347 5.481,1348 8.097,1349 0.169,1350 0.074,1351 8.097,1352 3.55,1353 6.902,1354 0.105,1355 0.037,1356 6.902,1357 2.443,1358 5.762,1359 0.067,1360 0.02,1361 5.762,1362 1.686,1363 0.418,1364 65.636,1365 0.255,1366 20.958,1367 0.85,1368 118,1369 341.628,1370 129.54,1371 336.755,1372 467.9,1373 314,1374 142,1375 358.929,1376 154.291,1377 363.968,1378 533.69,1379 342,1380 5.469}
{0 CHEMBL1241947,1 1.739,2 7.286,3 2.917,4 8.506,5 86.907,6 8.372,7 0.652,8 3.702,9 3.826,10 3.423,11 3.28,12 4.888,13 3.241,14 4.203,15 4.384,16 3.845,17 3.677,18 5.302,19 3.617,20 4.342,21 4.519,22 3.919,23 3.751,24 5.473,25 3.693,26 4.485,27 4.695,28 3.885,29 3.788,30 5.643,31 3.707,32 4.391,33 4.594,34 3.757,35 3.695,36 5.486,37 3.61,38 4.29,39 4.469,40 3.665,41 3.667,42 5.454,43 3.552,44 4.393,45 4.638,46 3.25,47 3.538,48 5.433,49 3.369,50 4.182,51 4.481,52 2.793,53 3.138,54 5.318,55 2.964,56 0.067,57 0.601,58 6.743,59 3.158,60 9.027,61 3.803,62 0.197,63 0.946,64 14.165,65 5.551,66 22.196,67 6.778,68 0.221,69 1.084,70 18.367,71 5.975,72 16.2,73 7.189,74 0.333,75 1.18,76 22.207,77 7.17,78 32.469,79 8.882,80 0.318,81 1.05,82 18.614,83 5.644,84 37.587,85 7.278,86 0.199,87 0.987,88 17.165,89 6.223,90 25.19,91 7.374,92 0.324,93 0.953,94 24.673,95 7.222,96 31.998,97 8.777,98 0.37,99 0.653,100 16.686,101 5.092,102 56.47,103 7.403,104 30,105 34,106 0.314,107 0.703,108 0.812,109 0.812,110 0.812,111 0.812,112 3.105,113 0.964,114 -4.39,115 -4.32,116 -4.07,119 38.9,120 3,127 1,142 1,143 2,146 1,147 1,148 1,152 2,155 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 6,177 1,178 1,180 1,183 4,185 1,186 1,187 6,195 3,198 2,199 7,201 3,202 3,207 3,212 6,217 2,220 1,222 2,223 1,224 6,229 3,232 4,234 3,236 1,237 2,242 1,245 2,247 1,249 2,252 1,253 1,258 2,263 2,275 532,276 13.939,277 13.939,278 13.939,279 13.939,280 13.939,281 12.132,282 12.558,283 7.894,284 14.344,285 11.255,286 11.255,287 11.255,288 11.255,289 11.255,290 8.364,291 9.753,292 3.609,293 11.95,294 3.431,295 1.277,296 0.674,297 0.674,298 0.674,299 0.674,300 3.775,303 1,304 1,305 1,306 322,307 2.828,310 88.764,311 50.581,314 76.972,318 1.061,319 20.275,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 153,332 4.765,333 3.386,334 7.041,335 4.3,336 3.345,337 4.736,339 12.097,340 3.193,341 4.306,342 3.136,343 6.262,344 3.847,345 2.913,346 3.999,348 9.371,349 2.716,350 3.807,351 2.706,352 6.004,353 3.478,354 2.526,355 3.207,357 8.28,358 2.402,359 3.603,360 2.581,361 5.623,362 3.193,363 2.247,364 2.974,366 7.127,367 2.112,368 3.024,369 2.232,370 4.819,371 2.681,372 1.741,373 2.171,375 4.817,376 1.633,377 2.935,378 1.816,379 4.408,380 2.428,381 1.461,382 2.093,384 3.918,385 1.404,386 2.776,387 1.457,388 4.157,389 2.293,390 1.368,391 1.83,393 3.552,394 1.245,395 2.467,396 1.221,397 3.853,398 1.958,399 1.019,400 1.451,402 2.715,403 0.95,404 2.134,405 1.006,406 3.481,407 1.717,408 0.781,409 1.007,411 1.989,412 0.724,413 2.055,414 0.81,415 2.727,416 1.353,417 0.317,418 0.532,420 0.48,421 0.314,422 1.059,423 -0.153,424 2.59,425 0.621,426 -0.292,427 -0.372,428 -0.68,429 -0.266,430 0.701,431 -0.27,432 2.416,433 0.343,434 -0.634,435 -0.782,436 -1.438,437 -0.608,438 0.618,439 -0.719,440 2.252,441 0.168,442 -0.767,443 -1,445 -2,446 -0.711,447 0.319,448 -0.879,449 2,451 -1,452 -1.067,454 -2.155,455 -0.934,456 0.002,457 -1,458 1.684,459 -0.065,460 -1,461 -1.231,463 -2.95,464 -1,465 10.167,466 0.484,467 0.648,468 0.031,469 27.75,470 1.321,471 14,472 0.667,473 13.75,474 0.655,475 17.463,476 0.832,477 22.233,478 0.618,479 18.231,480 0.868,481 5.19,482 0.247,483 4.834,484 0.23,485 0.22,487 0.433,493 0.738,494 1.188,495 0.716,496 0.899,497 0.703,498 0.873,499 0.718,500 0.923,501 0.667,502 0.713,503 0.589,504 0.666,505 0.92,506 1.268,507 1.006,508 1.113,509 0.628,510 0.932,511 0.848,512 1.008,513 1.036,514 1.06,515 0.723,516 0.963,517 1.346,518 1.076,519 0.988,520 0.937,521 1.263,522 1.003,523 0.907,524 1.348,525 1.328,526 1.359,527 0.755,528 1.305,529 1.058,530 1.092,531 1.609,532 1.432,533 0.967,534 1.317,535 0.787,536 0.628,537 0.751,538 0.735,539 0.892,540 1.003,541 4.5,543 2.889,544 2.396,545 1.768,546 0.649,547 0.697,548 0.358,549 0.103,550 0.016,551 3619,552 10985,553 2.018,554 41.7,555 3,556 2,558 2,559 2,561 6,564 1.64,565 1.826,566 2.877,567 0.425,568 1,569 1,571 1,573 62.601,574 1.739,575 3.893,576 4.496,577 4.496,578 4.496,579 4.496,580 2.244,581 4.107,582 4.363,583 2.982,584 626.199,585 7.52,586 6421.92,587 1,588 1,589 1,590 1,591 186.117,592 1.545,593 4.289,594 0.196,596 0.085,597 0.068,598 0.052,599 0.023,600 0.027,601 0.021,602 0.01,603 0.005,604 0.488,605 0.33,606 1,607 1.025,608 91.94,609 -0.013,610 -0.03,611 0.059,612 0.047,613 -0.086,614 0.029,615 0.102,616 0.159,617 0.261,618 0.28,619 0.059,620 0.284,621 -0.051,622 -0.148,623 0.022,624 -0.078,625 -0.001,626 -0.004,627 0.085,628 0.045,629 -0.016,630 -0.061,631 0.065,632 -0.018,633 -0.275,634 -0.048,635 -0.07,636 -0.007,637 -0.22,638 -0.084,639 -0.096,640 -0.26,641 -0.283,642 -0.294,643 -0.027,644 -0.354,645 -0.146,646 -0.116,647 -0.439,648 -0.345,649 -0.097,650 -0.315,651 0.232,652 0.164,653 0.039,654 0.05,655 0.248,656 -0.004,657 1.263,658 4.051,659 0.667,660 13.746,661 1.009,662 1.13,663 3.159,664 9.976,665 0.693,666 3.178,667 3.555,668 3.892,669 4.22,670 4.431,671 4.585,672 4.673,673 4.779,674 4.663,675 4.454,676 4.562,677 0.657,678 301.41,679 3.178,680 4.745,681 5.631,682 6.55,683 7.462,684 8.388,685 9.31,686 10.238,687 11.164,688 12.093,689 13.9,693 1,697 1,699 3,703 2,704 2,705 3,708 1,709 5,710 1,711 15,712 1,722 1,731 36,733 16,735 23,737 38,738 14,739 9,742 1,746 3,747 4,752 3,758 1,761 10,762 4,766 1,771 1,773 1,777 1,778 1,781 15,782 5,783 2,784 7,785 1,790 5,794 0.667,795 1,803 1,806 1,811 2,812 1,815 1,840 2,842 1,844 3,848 21,849 1,858 1,865 1,870 2.8,873 1,877 11.5,878 7.55,879 4.611,880 2.141,881 3.023,882 1.441,883 0.988,884 3.496,885 9.884,886 3.481,887 4.167,888 4.879,889 5.567,890 6.076,891 6.54,892 6.978,893 7.429,894 7.623,895 7.802,896 0.8,897 35,898 7.71,900 3.274,901 7.825,902 14.587,904 11.941,905 2.325,906 48.833,910 153.024,911 102.548,912 84.908,914 25.145,916 31.278,917 71.27,918 178.169,919 84.908,920 26.476,922 42.373,923 112.061,924 18.91,925 5.045,926 160.76,928 153.024,929 156.178,930 25.145,931 31.278,933 82.398,934 95.772,937 41.343,938 53.177,939 61.658,940 31.278,941 153.024,942 110.053,943 102.548,946 153.024,947 46.553,948 57.771,950 108.276,951 153.024,952 110.053,953 102.548,955 0.593,956 0.365,957 0.206,958 0.113,959 18,960 9,961 0.079,962 3,963 1,964 1.143,965 3.146,966 171.101,967 0.143,968 14,969 90.239,970 1,974 14.146,975 5.19,976 2.236,977 1.455,978 108.276,979 3.395,980 13.004,983 1.406,984 3.68,985 1.832,986 32.897,987 365.625,988 31.5,993 11.051,995 0.866,999 36.331,1000 40.697,1001 0.336,1002 0.753,1003 0.87,1004 0.87,1005 0.87,1006 0.87,1007 4.734,1008 1.019,1009 5.659,1010 3.552,1011 4.234,1012 4.852,1014 6.558,1015 4.119,1016 5.991,1017 0.781,1018 7.279,1019 2.715,1020 4.007,1021 4.856,1023 7.633,1024 3.845,1025 7.336,1026 0.317,1027 8.998,1028 1.989,1029 5.911,1030 7.202,1032 10.781,1033 5.689,1034 8.725,1035 -0.292,1036 10.773,1037 0.48,1038 6.494,1039 8.067,1041 12.686,1042 6.224,1043 10.149,1044 -0.634,1045 12.584,1046 -0.68,1047 7.915,1048 9.895,1050 15.373,1051 7.594,1052 11.6,1053 -0.767,1054 14.42,1055 -1.438,1056 8.844,1057 11.143,1059 17.618,1060 8.475,1061 13.07,1062 -1,1063 16.275,1064 -2,1065 10.099,1066 12.781,1068 20.159,1069 9.683,1070 3.345,1071 -1,1072 18.144,1073 -2.155,1074 11.175,1075 14.196,1077 22.546,1078 10.713,1079 2.913,1080 12.097,1081 20.024,1082 -2.95,1083 12.377,1084 15.767,1086 25.044,1087 11.869,1088 2.526,1089 9.371,1090 21.914,1091 4.736,1092 13.516,1093 17.255,1095 27.49,1096 12.963,1097 2.247,1098 8.28,1099 23.811,1100 3.999,1101 14.704,1102 18.804,1104 29.978,1105 14.107,1106 1.741,1107 7.127,1108 25.716,1109 3.207,1110 15.873,1111 20.324,1113 32.449,1114 15.231,1115 1.461,1116 4.817,1117 27.626,1118 2.974,1119 17.06,1120 21.869,1122 34.937,1123 16.375,1124 1.368,1125 3.918,1126 29.542,1127 2.171,1128 18.243,1129 23.404,1131 37.419,1132 17.514,1133 3669,1134 6514,1135 14.74,1136 24.938,1137 36.353,1138 37.328,1139 38.08,1140 35.542,1141 35.436,1142 47.999,1144 108.692,1145 33.387,1146 5.454,1147 5.386,1148 6.569,1149 5.414,1150 5.345,1151 7.736,1153 19.602,1154 5.149,1155 12.297,1156 1.581,1157 1.623,1158 1.656,1159 1.545,1160 1.541,1161 2.087,1163 4.726,1164 1.452,1165 4.132,1166 4.176,1167 4.296,1168 4.048,1169 7.452,1170 4.028,1171 3.852,1172 3.864,1173 4.007,1174 3.801,1175 5.254,1176 3.78,1177 3.576,1178 3.654,1179 3.445,1180 3.407,1181 4.872,1182 3.399,1183 3.232,1184 3.304,1185 3.161,1186 3.015,1187 4.606,1188 3.038,1189 3.136,1190 3.182,1191 3.011,1192 2.912,1193 4.442,1194 2.902,1195 3.014,1196 3.124,1197 2.967,1198 2.733,1199 4.066,1200 2.747,1201 2.887,1202 3.009,1203 2.857,1204 2.656,1205 3.715,1206 2.663,1207 2.874,1208 2.968,1209 2.499,1210 2.618,1211 3.587,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.765,1219 0.206,1220 3.386,1222 7.041,1223 0.526,1224 4.3,1225 0.139,1226 3.345,1227 4.736,1229 12.097,1230 3.193,1231 1.844,1232 1.808,1233 1.95,1234 2.025,1235 1.148,1236 1.997,1237 1.68,1238 1.628,1239 1.844,1240 1.864,1241 0.982,1242 1.863,1243 1.624,1244 1.595,1245 1.779,1246 1.751,1247 0.906,1248 1.77,1249 1.401,1250 1.38,1251 1.417,1252 1.52,1253 0.575,1254 1.536,1255 1.055,1256 0.989,1257 1.395,1258 1.361,1259 0.469,1260 1.348,1261 0.934,1262 0.818,1263 1.318,1264 1.259,1265 0.321,1266 1.308,1267 0.915,1268 0.804,1269 1.194,1270 1.239,1271 0.078,1272 1.261,1273 0.768,1274 0.693,1275 0.992,1276 1.092,1277 0.021,1278 1.08,1279 3.85,1281 5.209,1282 3.045,1283 6.76,1284 5.476,1285 8.402,1286 7.644,1287 10.094,1289 5.974,1293 6.016,1299 0.155,1305 23.643,1306 62.601,1307 140.143,1308 161.853,1309 161.853,1310 161.853,1311 161.853,1312 32.296,1313 6.861,1314 86.69,1315 114.93,1316 16,1317 12.596,1318 4.087,1319 3.248,1320 31.863,1321 56,1322 62,1323 0.29,1324 151.49,1325 244.8,1326 361.395,1327 6983,1329 15.146,1330 0.721,1331 0.61,1332 15.499,1333 12.809,1334 10.024,1335 0.436,1336 0.321,1337 6.549,1338 9.169,1339 6.204,1340 5.209,1341 10.432,1342 7.389,1343 9.334,1344 0.275,1345 0.182,1346 9.976,1347 6.204,1348 8.008,1349 0.167,1350 0.093,1351 8.891,1352 4.473,1353 6.947,1354 0.104,1355 0.048,1356 7.783,1357 3.238,1358 5.38,1359 0.065,1360 0.025,1361 6.105,1362 2.106,1363 0.429,1364 67.077,1365 0.26,1366 20.055,1367 0.886,1368 114,1369 342.489,1370 150.498,1371 355.398,1372 491.74,1373 332,1374 139,1375 356.763,1376 175.176,1377 377.784,1378 557.38,1379 354,1380 5.959}
{0 CHEMBL1241948,1 1.793,2 8.167,3 1.81,4 3.275,5 95.398,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.98,13 3.358,14 4.381,15 4.55,16 3.922,17 3.741,18 5.744,19 3.716,20 4.585,21 4.782,22 3.926,23 3.847,24 5.77,25 3.811,26 4.623,27 4.843,28 3.979,29 3.9,30 5.786,31 3.84,32 4.613,33 4.807,34 3.878,35 3.897,36 5.78,37 3.826,38 4.598,39 4.804,40 3.823,41 3.845,42 5.75,43 3.758,44 4.641,45 4.897,46 3.655,47 3.736,48 5.77,49 3.592,50 4.487,51 4.781,52 3.545,53 3.485,54 5.47,55 3.334,56 0.14,57 0.713,58 10.59,59 3.7,60 19.007,61 4.451,62 0.421,63 1.07,64 19.292,65 6.31,66 58.828,67 7.927,68 0.478,69 1.225,70 20.647,71 6.335,72 58.43,73 8.392,74 0.415,75 1.29,76 23.803,77 7.695,78 42.054,79 10.293,80 0.41,81 1.25,82 21.378,83 7.283,84 47.89,85 9.471,86 0.339,87 1.211,88 21.728,89 7.386,90 42.909,91 10.061,92 0.552,93 1.135,94 25.239,95 7.587,96 66.42,97 10.735,98 0.476,99 0.889,100 25.808,101 6.595,102 49.848,103 9.801,104 42,105 39,106 0.312,107 0.674,108 0.795,109 0.828,110 0.828,111 0.828,112 3.23,113 1.064,114 -3.53,115 -3.5,116 -3.34,119 35.7,120 2,124 1,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 7,177 1,178 3,180 3,183 6,185 1,186 1,187 5,192 2,195 4,198 2,199 11,201 3,202 3,204 2,207 3,209 1,212 10,215 1,217 3,220 3,222 2,224 7,227 1,229 3,232 4,234 3,236 2,237 4,240 2,241 1,242 1,244 1,245 2,247 1,249 2,255 2,258 2,262 4,265 2,266 2,275 790,276 15.378,277 15.378,278 15.378,279 15.378,280 15.378,281 13.171,282 14.36,283 8.786,284 15.749,285 12.855,286 12.855,287 12.855,288 12.855,289 12.855,290 9.402,291 10.975,292 4.168,293 13.478,294 3.599,295 1.514,296 0.816,297 0.625,298 0.625,299 0.625,300 3.901,303 1,304 1,305 1,306 409,307 3.674,310 47.393,311 130.54,314 90.558,318 1.264,319 29.72,321 1,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 53,331 196,332 4.76,333 4.311,334 7.039,335 4.301,336 3.337,337 4.731,339 12.086,340 3.217,341 4.643,342 3.374,343 6.458,344 4.074,345 3.138,346 4.442,348 10.205,349 2.918,350 4.068,351 2.776,352 6.153,353 3.652,354 2.681,355 3.686,357 8.872,358 2.595,359 3.794,360 2.608,361 5.784,362 3.437,363 2.483,364 3.201,366 7.72,367 2.367,368 3.513,369 2.263,370 5.187,371 3.086,372 2.126,373 2.882,375 6.388,376 2.035,377 3.026,378 1.819,379 4.818,380 2.682,381 1.742,382 2.204,384 4.817,385 1.635,386 2.962,387 1.536,388 4.402,389 2.445,390 1.497,391 2.121,393 4.011,394 1.417,395 2.686,396 1.232,397 3.859,398 2.185,399 1.21,400 1.772,402 2.805,403 1.178,404 2.457,405 1,406 3.525,407 1.964,408 1,409 1.438,411 2.527,412 0.962,413 2.112,414 0.816,415 3.446,416 1.738,417 0.778,418 1.007,420 1.979,421 0.745,422 1.199,423 0.732,424 3.091,425 0.86,426 -0.101,427 -0.122,428 -0.29,429 -0.096,430 1.061,431 -0.076,432 2.605,433 0.63,434 -0.286,435 -0.364,436 -0.67,437 -0.261,438 1,439 -0.152,440 2.417,441 0.37,442 -0.603,443 -0.819,445 -1.704,446 -0.585,447 0.811,448 -0.603,449 2.252,450 0.067,451 -0.87,452 -1,454 -2,455 -0.777,456 0.565,457 -0.811,458 2,460 -1,461 -1.148,463 -2.414,464 -0.815,465 11.4,466 0.475,467 0.912,468 0.038,469 33.75,470 1.406,471 18,472 0.75,473 15.75,474 0.656,475 18.478,476 0.77,477 26.4,478 0.629,479 25.207,480 1.05,481 6.281,482 0.262,483 4.979,484 0.207,485 0.225,486 0.073,487 0.342,493 0.617,494 1.42,495 0.822,496 1.277,497 0.781,498 0.959,499 0.588,500 1.179,501 0.959,502 1.101,503 0.466,504 0.865,505 1.376,506 1.075,507 0.87,508 0.745,509 1.246,510 0.882,511 0.712,512 0.959,513 0.834,514 0.896,515 0.517,516 0.872,517 1.15,518 1.09,519 1.034,520 1.006,521 0.985,522 1.131,523 0.882,524 1.268,525 0.962,526 1.162,527 0.821,528 1.225,529 0.796,530 0.925,531 0.954,532 0.984,533 0.815,534 1.165,535 0.696,536 0.86,537 0.744,538 0.869,539 0.771,540 0.841,541 6.5,542 0.037,543 2.667,544 2.479,545 1.896,546 0.959,547 0.72,548 0.374,549 0.414,550 0.194,551 5375,552 17506,553 1.982,554 42.9,556 8,558 1,559 3,561 6,564 1.675,565 1.789,566 3.028,567 1.121,568 1,569 1,571 1,573 75.306,574 1.793,575 3.878,576 4.576,577 4.767,578 4.767,579 4.767,580 2.44,581 4.304,582 4.557,583 3.21,584 885.902,585 7.896,586 10131.1,587 1,588 1,590 1,591 226.477,592 1.75,593 4.469,594 0.25,595 0.004,596 0.068,597 0.065,598 0.047,599 0.027,600 0.023,601 0.016,602 0.022,603 0.013,604 0.536,605 0.33,606 1,607 1.181,608 111.655,609 0.078,610 -0.137,611 0.215,612 -0.083,613 -0.209,614 0.023,615 0.314,616 -0.043,617 0.032,618 -0.038,619 0.355,620 0.099,621 -0.311,622 -0.026,623 -0.088,624 0.101,625 -0.229,626 0.018,627 0.047,628 0.097,629 0.057,630 0.049,631 0.083,632 0.095,633 -0.246,634 -0.026,635 -0.221,636 -0.093,637 -0.136,638 -0.193,639 -0.096,640 -0.242,641 -0.137,642 -0.234,643 -0.071,644 -0.253,645 0.053,646 0.011,647 -0.059,648 -0.095,649 -0.032,650 -0.193,651 0.183,652 -0.03,653 0.318,654 0.098,655 0.039,656 0.191,657 4.277,658 4.438,659 0.625,660 17.833,661 1.015,662 1.139,663 2.298,664 5.281,665 0.67,666 3.296,667 3.689,668 3.912,669 4.263,670 4.5,671 4.635,672 4.727,673 4.828,674 4.812,675 4.82,676 5.264,677 0.641,678 346.46,679 3.296,680 4.875,681 5.727,682 6.65,683 7.531,684 8.459,685 9.353,686 10.282,687 11.185,688 12.113,689 14.3,693 1,694 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,731 42,733 18,734 1,735 26,737 44,738 15,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 4,766 2,769 1,771 2,777 1,778 1,781 18,782 7,783 3,784 9,785 1,790 6,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,842 1,844 3,848 24,849 1,852 1,855 1,858 1,870 4.8,873 2,877 13.417,878 8.383,879 5.042,880 2.322,881 3.349,882 1.47,883 0.991,884 4.197,885 10.482,886 3.611,887 4.327,888 4.874,889 5.58,890 6.154,891 6.564,892 7.009,893 7.457,894 7.704,895 8.031,896 1,897 38,898 8.991,900 4.007,901 7.99,902 16.542,904 13.608,905 2.49,906 59.75,910 176.567,911 92.487,912 101.313,914 44.313,916 5.807,917 86.68,918 220.879,919 101.313,920 24.841,922 76.61,923 124.438,924 21.667,925 2.328,926 164.795,928 176.567,929 187.992,930 44.313,931 5.807,933 105.94,934 114.94,937 32.518,938 88.836,939 72.447,941 176.567,942 145.626,943 92.487,945 5.807,946 176.567,947 15.315,948 73.141,949 16.405,950 127.444,951 176.567,952 145.626,953 92.487,955 0.6,956 0.322,957 0.186,958 0.108,959 20,960 10,961 0.091,962 4,963 1,964 1.133,965 3.389,966 202.411,967 0.133,968 15,969 106.039,973 1,974 16.681,975 6.039,976 3.377,977 1.302,978 143.849,979 8.38,980 12.953,984 2.143,985 1.777,986 49.302,987 414.679,988 36,991 -3.36,993 22.875,999 42.643,1000 47.82,1001 0.333,1002 0.719,1003 0.849,1004 0.884,1005 0.884,1006 0.884,1007 4.875,1008 1.21,1009 5.79,1010 4.011,1011 4.369,1012 5.014,1014 6.683,1015 4.278,1016 6.163,1017 1,1018 7.405,1019 2.805,1020 4.29,1021 5.231,1023 7.892,1024 4.133,1025 7.543,1026 0.778,1027 9.126,1028 2.527,1029 6.094,1030 7.426,1032 10.926,1033 5.909,1034 8.961,1035 -0.101,1036 10.904,1037 1.979,1038 6.746,1039 8.399,1041 12.884,1042 6.496,1043 10.409,1044 -0.286,1045 12.718,1046 -0.29,1047 8.132,1048 10.166,1050 15.521,1051 7.852,1052 11.879,1053 -0.603,1054 14.557,1055 -0.67,1056 9.086,1057 11.455,1059 17.776,1060 8.746,1061 13.366,1062 -0.87,1063 16.412,1064 -1.704,1065 10.33,1066 13.071,1068 20.29,1069 9.954,1070 3.337,1071 -1,1072 18.281,1073 -2,1074 11.412,1075 14.496,1077 22.67,1078 10.984,1079 3.138,1080 12.086,1081 20.16,1082 -2.414,1083 12.607,1084 16.057,1086 25.15,1087 12.142,1088 2.681,1089 10.205,1090 22.048,1091 4.731,1092 13.745,1093 17.542,1095 27.584,1096 13.233,1097 2.483,1098 8.872,1099 23.942,1100 4.442,1101 14.927,1102 19.083,1104 30.058,1105 14.376,1106 2.126,1107 7.72,1108 25.843,1109 3.686,1110 16.09,1111 20.596,1113 32.518,1114 15.497,1115 1.742,1116 6.388,1117 27.749,1118 3.201,1119 17.271,1120 22.132,1122 34.993,1123 16.639,1124 1.497,1125 4.817,1126 29.66,1127 2.882,1128 18.446,1129 23.657,1131 37.465,1132 17.775,1133 5424,1134 9939,1135 16.414,1136 28.159,1137 40.347,1138 41.422,1139 41.526,1140 40.052,1141 39.982,1142 54.966,1144 122.816,1145 38.137,1146 5.518,1147 6.311,1148 6.585,1149 5.374,1150 5.337,1151 7.731,1153 19.551,1154 5.217,1155 14.977,1156 1.552,1157 1.593,1158 1.597,1159 1.54,1160 1.538,1161 2.114,1163 4.724,1164 1.467,1165 4.14,1166 4.184,1167 4.716,1168 4.024,1169 7.718,1170 4.025,1171 3.978,1172 3.968,1173 4.11,1174 3.905,1175 6.999,1176 3.822,1177 3.76,1178 3.759,1179 3.755,1180 3.694,1181 5.256,1182 3.644,1183 3.576,1184 3.653,1185 3.445,1186 3.405,1187 4.883,1188 3.398,1189 3.199,1190 3.283,1191 3.109,1192 2.982,1193 4.706,1194 3.007,1195 3.002,1196 3.112,1197 2.881,1198 2.745,1199 4.479,1200 2.737,1201 2.9,1202 3.009,1203 2.756,1204 2.693,1205 4.08,1206 2.729,1207 2.874,1208 2.99,1209 2.623,1210 2.618,1211 3.88,1212 2.591,1213 0.183,1214 0.166,1215 0.271,1216 0.165,1217 0.128,1218 4.76,1219 0.182,1220 4.311,1222 7.039,1223 0.465,1224 4.301,1225 0.124,1226 3.337,1227 4.731,1229 12.086,1230 3.217,1231 1.95,1232 1.933,1233 2.017,1234 2.048,1235 1.164,1236 2.055,1237 1.809,1238 1.776,1239 1.946,1240 2.003,1241 1.134,1242 1.99,1243 1.676,1244 1.687,1245 1.778,1246 1.846,1247 0.953,1248 1.881,1249 1.594,1250 1.539,1251 1.606,1252 1.756,1253 0.826,1254 1.79,1255 1.145,1256 1.082,1257 1.417,1258 1.402,1259 0.469,1260 1.378,1261 0.934,1262 0.829,1263 1.279,1264 1.239,1265 0.309,1266 1.308,1267 0.903,1268 0.804,1269 1.175,1270 1.226,1271 0.238,1272 1.221,1273 0.88,1274 0.783,1275 1.166,1276 1.145,1277 0.044,1278 1.174,1279 3.97,1281 5.342,1282 2.398,1283 6.891,1284 4.844,1285 8.524,1286 7.081,1287 10.205,1289 5.098,1293 6.032,1296 2.459,1299 0.091,1305 26.906,1306 75.306,1307 162.894,1308 192.213,1309 200.213,1310 200.213,1311 200.213,1312 47.369,1313 7.132,1314 115.79,1315 124.17,1316 17,1317 12.621,1318 4.248,1319 3.459,1320 39.005,1321 74,1322 70,1323 0.263,1324 171.873,1325 281.89,1326 411.13,1327 10402,1329 17.483,1330 0.728,1331 0.599,1332 17.733,1333 14.372,1334 11.26,1335 0.433,1336 0.355,1337 7.374,1338 10.018,1339 6.927,1340 5.823,1341 12.187,1342 9.221,1343 11.514,1344 0.295,1345 0.194,1346 12.897,1347 7.548,1348 8.123,1349 0.166,1350 0.083,1351 8.574,1352 4.053,1353 7.414,1354 0.106,1355 0.044,1356 7.939,1357 3.057,1358 5.965,1359 0.067,1360 0.023,1361 6.333,1362 2.009,1363 0.397,1364 80.35,1365 0.247,1366 22.796,1367 0.771,1368 130,1369 410.557,1370 175.663,1371 421.473,1372 572.94,1373 386,1374 153,1375 411.368,1376 206.349,1377 447.966,1378 645.87,1379 416,1380 5.796}
{0 CHEMBL1241949,1 1.489,2 8.75,3 2.405,4 5.784,5 95.498,6 7.79,7 0.778,8 3.844,9 3.985,10 3.456,11 3.373,12 5.023,13 3.372,14 4.329,15 4.51,16 3.853,17 3.766,18 5.462,19 3.752,20 4.539,21 4.742,22 3.921,23 3.89,24 5.648,25 3.865,26 4.624,27 4.853,28 3.876,29 3.906,30 5.718,31 3.851,32 4.555,33 4.775,34 3.719,35 3.853,36 5.58,37 3.778,38 4.499,39 4.714,40 3.651,41 3.783,42 5.582,43 3.701,44 4.558,45 4.833,46 3.435,47 3.683,48 5.523,49 3.558,50 4.367,51 4.67,52 3.235,53 3.438,54 5.293,55 3.297,56 0.071,57 0.703,58 7.869,59 3.048,60 11.334,61 4.135,62 0.169,63 1.088,64 14.184,65 5.302,66 19.91,67 7.426,68 0.205,69 1.285,70 18.357,71 5.855,72 23.225,73 8.48,74 0.329,75 1.327,76 21.174,77 6.867,78 35.272,79 9.966,80 0.205,81 1.224,82 19.293,83 6.459,84 25.962,85 9.333,86 0.175,87 1.157,88 17.96,89 6.27,90 28.57,91 9.031,92 0.272,93 1.097,94 21.794,95 6.741,96 37.822,97 10.181,98 0.255,99 0.856,100 19.242,101 6.372,102 32.942,103 9.7,104 18,105 40,106 0.258,107 0.643,108 0.763,109 0.821,110 0.838,111 0.838,112 3.23,113 0.855,114 -4.77,115 -4.68,116 -4.4,119 41.5,120 2,127 1,142 5,143 3,146 2,147 2,148 1,161 1,163 2,164 2,165 2,166 1,172 6,174 2,175 10,177 2,178 2,180 2,183 8,185 2,186 1,187 8,192 1,195 7,197 1,198 2,199 9,201 3,202 3,204 3,207 7,209 3,212 7,217 4,220 4,222 4,223 1,224 9,229 5,232 5,234 5,236 1,237 3,242 1,245 4,247 1,249 2,250 2,252 2,253 2,255 2,258 2,260 2,263 2,265 1,266 1,271 2,275 758,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 13.687,282 12.649,283 9.195,284 16.432,285 13.321,286 13.321,287 13.321,288 13.321,289 13.321,290 9.634,291 10,292 4.348,293 13.89,294 3.869,295 1.647,296 0.954,297 0.622,298 0.525,299 0.525,300 3.925,303 1,304 1,305 1,306 460,307 2.739,310 43.524,311 159.84,314 83.676,315 88.462,318 1.375,319 19.084,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 210,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.426,342 2.965,343 6.262,344 3.925,345 2.948,346 4.36,348 9.449,349 2.879,350 3.877,351 2.677,352 6.082,353 3.527,354 2.57,355 3.353,357 8.608,358 2.458,359 3.767,360 2.466,361 5.719,362 3.363,363 2.407,364 3.19,366 7.488,367 2.3,368 3.475,369 2.166,370 4.962,371 3.035,372 2.08,373 2.849,375 5.803,376 1.982,377 3.118,378 1.819,379 4.819,380 2.683,381 1.742,382 2.427,384 4.818,385 1.636,386 3.03,387 1.618,388 4.495,389 2.603,390 1.618,391 2.249,393 4.416,394 1.592,395 2.981,396 1.505,397 4.377,398 2.444,399 1.501,400 2.127,402 4.065,403 1.411,404 2.532,405 1.066,406 3.861,407 2.011,408 1.064,409 1.546,411 2.761,412 1.005,413 2.214,414 0.856,415 3.492,416 1.795,417 0.827,418 1.097,420 2.067,421 0.799,422 2.11,423 0.711,424 3.274,425 1.673,426 0.694,427 0.985,428 1.685,429 0.678,430 1.272,431 -0.003,432 2.724,433 0.846,434 -0.108,435 -0.141,436 -0.26,437 -0.103,438 1.056,439 -0.174,440 2.432,441 0.61,442 -0.302,443 -0.389,445 -0.705,446 -0.275,447 0.882,448 -0.618,449 2.384,450 0.368,451 -0.618,452 -0.927,454 -1.82,455 -0.607,456 0.69,457 -0.661,458 2.27,459 0.233,460 -0.715,461 -0.945,463 -2,464 -0.677,465 11.3,466 0.471,467 0.716,468 0.03,469 35.25,470 1.469,471 19,472 0.792,473 16.25,474 0.677,475 17.212,476 0.717,477 24.7,478 0.602,479 24.795,480 1.033,481 6.728,482 0.28,483 4.814,484 0.201,485 0.159,487 0.434,493 0.992,494 1.212,495 0.769,496 0.937,497 1.246,498 0.838,499 0.697,500 1.077,501 0.653,502 0.895,503 0.51,504 0.789,505 1.215,506 1.168,507 0.918,508 0.931,509 0.883,510 0.886,511 0.987,512 0.916,513 0.963,514 0.922,515 0.926,516 0.936,517 1.197,518 1.11,519 1.157,520 1.108,521 0.945,522 1.123,523 1.052,524 1.245,525 1.182,526 1.283,527 1.129,528 1.259,529 1.08,530 0.961,531 1.13,532 1.049,533 1.254,534 1.089,535 0.464,536 0.765,537 0.754,538 0.9,539 0.511,540 0.878,541 5,542 0.083,543 3.111,544 2.104,545 2.14,546 0.827,547 0.564,548 0.436,549 0.215,550 0.178,551 5894,552 15405,553 2.11,554 41.5,556 6,558 1,559 4,561 6,564 1.673,565 1.946,566 3.102,567 1.819,568 1,569 1,571 1,573 61.034,574 1.489,575 3.711,576 4.403,577 4.735,578 4.833,579 4.833,580 2.555,581 4.418,582 4.557,583 3.236,584 893.149,585 7.888,586 9993.54,587 1,588 1,590 1,591 219.66,592 1.483,593 4.504,594 0.185,595 0.012,596 0.078,597 0.05,598 0.055,599 0.025,600 0.019,601 0.019,602 0.011,603 0.014,604 0.468,605 0.17,606 1,607 0.813,608 111.361,609 -0.066,610 -0.022,611 0.037,612 0.05,613 -0.284,614 0.058,615 0.23,616 0.027,617 0.221,618 0.097,619 0.242,620 0.147,621 -0.164,622 -0.085,623 -0.007,624 0.02,625 -0.04,626 0.03,627 0.048,628 0.113,629 -0.013,630 0.036,631 0.019,632 0.008,633 -0.257,634 -0.085,635 -0.231,636 -0.128,637 -0.118,638 -0.168,639 -0.141,640 -0.224,641 -0.264,642 -0.298,643 -0.142,644 -0.3,645 -0.12,646 -0.052,647 -0.112,648 -0.07,649 -0.225,650 -0.086,651 0.372,652 0.051,653 0.316,654 0.125,655 0.362,656 0.196,657 1.238,658 2.107,659 0.792,660 17.667,661 1.003,662 1.136,663 3.539,664 12.525,665 0.679,666 3.332,667 3.714,668 4.043,669 4.382,670 4.673,671 4.796,672 4.92,673 5.088,674 5.182,675 5.231,676 5.231,677 0.653,678 319.41,679 3.332,680 4.905,681 5.79,682 6.706,683 7.613,684 8.534,685 9.45,686 10.374,687 11.294,688 12.218,689 17.1,693 2,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 2,731 41,733 21,734 1,735 27,737 44,738 17,739 14,740 3,741 3,746 4,747 6,752 2,758 1,761 14,762 3,777 1,778 1,781 17,782 6,783 4,784 7,790 7,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 24,849 2,858 1,877 12.333,878 8,879 5.111,880 2.408,881 4.314,882 1.569,883 1.038,884 3.358,885 11.9,886 3.651,887 4.379,888 5.096,889 5.803,890 6.437,891 6.868,892 7.36,893 7.894,894 8.326,895 8.691,896 0.833,897 42,898 8.794,900 3.788,901 7.694,902 16.736,904 13.907,905 2.194,906 52.667,909 1,910 153.024,911 93.254,912 134.591,917 93.254,918 153.024,919 134.591,920 17.65,922 113.176,923 80.506,924 23.628,925 4.656,926 141.253,928 153.024,929 227.844,933 82.398,934 70.627,937 34.662,938 126.163,939 67.02,941 153.024,942 134.591,943 93.254,946 153.024,947 19.604,948 75.427,950 132.814,951 153.024,952 134.591,953 93.254,955 0.597,956 0.355,957 0.202,958 0.12,959 22,960 10,961 0.045,962 2,963 2,964 1.211,965 3.496,966 211.577,967 0.211,968 19,969 108.039,974 14.851,975 5.427,976 2.395,977 3.344,978 132.814,979 11.127,980 17.548,984 2.648,985 1.869,986 65.794,987 380.869,988 37.5,999 41.131,1000 46.564,1001 0.278,1002 0.693,1003 0.822,1004 0.884,1005 0.902,1006 0.902,1007 4.9,1008 1.501,1009 5.808,1010 4.416,1011 4.394,1012 5.066,1014 6.688,1015 4.317,1016 6.161,1017 1.064,1018 7.41,1019 4.065,1020 4.111,1021 5.047,1023 7.716,1024 4.001,1025 7.507,1026 0.827,1027 9.112,1028 2.761,1029 6.052,1030 7.441,1032 10.864,1033 5.906,1034 8.893,1035 0.694,1036 10.872,1037 2.067,1038 6.567,1039 8.254,1041 12.736,1042 6.39,1043 10.311,1044 -0.108,1045 12.67,1046 1.685,1047 8.019,1048 10.133,1050 15.421,1051 7.81,1052 11.754,1053 -0.302,1054 14.494,1055 -0.26,1056 8.899,1057 11.339,1059 17.648,1060 8.658,1061 13.217,1062 -0.618,1063 16.338,1064 -0.705,1065 10.169,1066 13.009,1068 20.186,1069 9.897,1070 3.339,1071 -0.715,1072 18.199,1073 -1.82,1074 11.216,1075 14.399,1077 22.563,1078 10.911,1079 2.948,1080 12.088,1081 20.072,1082 -2,1083 12.422,1084 15.985,1086 25.057,1087 12.084,1088 2.57,1089 9.449,1090 21.955,1091 4.737,1092 13.545,1093 17.457,1095 27.497,1096 13.173,1097 2.407,1098 8.608,1099 23.847,1100 4.36,1101 14.732,1102 19.011,1104 29.982,1105 14.326,1106 2.08,1107 7.488,1108 25.747,1109 3.353,1110 15.891,1111 20.52,1113 32.449,1114 15.449,1115 1.742,1116 5.803,1117 27.653,1118 3.19,1119 17.075,1120 22.063,1122 34.934,1123 16.599,1124 1.618,1125 4.818,1126 29.565,1127 2.849,1128 18.251,1129 23.588,1131 37.413,1132 17.739,1133 5640,1134 9249,1135 17.918,1136 27.847,1137 42.027,1138 41.47,1139 43.581,1140 41.623,1141 41.583,1142 57.839,1144 126.496,1145 39.925,1146 5.431,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 12.207,1156 1.557,1157 1.536,1158 1.614,1159 1.542,1160 1.54,1161 2.142,1163 4.685,1164 1.479,1165 4.158,1166 4.2,1167 4.137,1168 4.053,1169 5.262,1170 4.066,1171 3.992,1172 4.033,1173 3.962,1174 3.858,1175 5.181,1176 3.882,1177 3.579,1178 3.656,1179 3.445,1180 3.421,1181 4.879,1182 3.412,1183 3.489,1184 3.544,1185 3.419,1186 3.355,1187 4.739,1188 3.362,1189 3.165,1190 3.256,1191 3.063,1192 2.951,1193 4.499,1194 2.971,1195 3.032,1196 3.11,1197 2.917,1198 2.845,1199 4.165,1200 2.859,1201 2.994,1202 3.105,1203 2.873,1204 2.685,1205 4.024,1206 2.724,1207 2.874,1208 3.009,1209 2.628,1210 2.618,1211 3.912,1212 2.57,1213 0.176,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.762,1219 0.175,1220 3.376,1222 7.039,1223 0.448,1224 4.303,1225 0.119,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 2.046,1232 2.024,1233 2.112,1234 2.128,1235 1.237,1236 2.124,1237 1.825,1238 1.782,1239 1.948,1240 2.02,1241 1.145,1242 1.993,1243 1.649,1244 1.585,1245 1.807,1246 1.849,1247 0.896,1248 1.845,1249 1.459,1250 1.408,1251 1.615,1252 1.633,1253 0.629,1254 1.634,1255 1.101,1256 1.038,1257 1.417,1258 1.379,1259 0.469,1260 1.353,1261 0.993,1262 0.919,1263 1.26,1264 1.243,1265 0.277,1266 1.308,1267 0.934,1268 0.804,1269 1.233,1270 1.239,1271 0.146,1272 1.256,1273 0.858,1274 0.764,1275 1.139,1276 1.205,1277 0.034,1278 1.196,1279 4.007,1281 5.371,1282 2.398,1283 6.934,1284 4.844,1285 8.592,1286 7.081,1287 10.3,1289 4.114,1293 11.851,1299 0.164,1305 26.784,1306 61.034,1307 152.134,1308 180.54,1309 194.15,1310 198.15,1311 198.15,1312 30.695,1313 7.586,1314 108.53,1315 108.53,1316 23,1317 12.725,1318 4.459,1319 3.524,1320 33.701,1321 74,1322 84,1323 0.227,1324 165.48,1325 262.86,1326 395.532,1327 18888,1329 16.845,1330 0.702,1331 0.56,1332 16.845,1333 13.432,1334 11.542,1335 0.427,1336 0.285,1337 7.594,1338 11.115,1339 7.361,1340 6.149,1341 11.542,1342 7.697,1343 10.968,1344 0.274,1345 0.15,1346 10.968,1347 5.988,1348 9.315,1349 0.166,1350 0.071,1351 9.315,1352 3.991,1353 8.19,1354 0.104,1355 0.036,1356 8.19,1357 2.846,1358 7.068,1359 0.067,1360 0.019,1361 7.068,1362 2.021,1363 0.343,1364 72.09,1365 0.236,1366 22.807,1367 0.664,1368 134,1369 356.85,1370 146.572,1371 358.594,1372 511.64,1373 336,1374 163,1375 406.955,1376 176.461,1377 413.775,1378 610.34,1379 390,1380 6.611}
{0 CHEMBL1241950,1 1.507,2 9.44,3 2.262,4 5.118,5 100.579,6 7.777,7 0.75,8 3.895,9 4.043,10 3.501,11 3.394,12 5.087,13 3.398,14 4.374,15 4.561,16 3.882,17 3.787,18 5.489,19 3.778,20 4.582,21 4.789,22 3.97,23 3.919,24 5.694,25 3.896,26 4.669,27 4.897,28 3.929,29 3.942,30 5.772,31 3.894,32 4.618,33 4.841,34 3.781,35 3.903,36 5.638,37 3.83,38 4.565,39 4.784,40 3.717,41 3.836,42 5.65,43 3.757,44 4.621,45 4.895,46 3.485,47 3.738,48 5.594,49 3.612,50 4.436,51 4.746,52 3.284,53 3.488,54 5.319,55 3.344,56 0.111,57 0.747,58 8.457,59 3.103,60 13.7,61 4.305,62 0.208,63 1.137,64 15.076,65 5.284,66 20.346,67 7.576,68 0.244,69 1.334,70 19.384,71 6.097,72 25.297,73 9.068,74 0.369,75 1.379,76 22.126,77 6.819,78 37.682,79 10.139,80 0.237,81 1.289,82 20.694,83 6.749,84 27.173,85 10.006,86 0.205,87 1.22,88 19.362,89 6.561,90 29.972,91 9.689,92 0.311,93 1.134,94 23.163,95 6.954,96 41.987,97 10.741,98 0.285,99 0.875,100 20.881,101 6.693,102 33.094,103 10.393,104 21,105 41,106 0.259,107 0.656,108 0.8,109 0.846,110 0.846,111 0.846,112 3.268,113 0.851,114 -4.83,115 -4.74,116 -4.45,119 39.5,120 2,127 1,142 5,143 3,146 2,147 2,148 1,161 1,163 2,164 2,165 2,166 1,169 1,171 1,172 6,174 2,175 10,177 1,178 2,180 2,183 8,185 1,186 1,187 8,189 1,190 1,192 2,195 7,197 1,198 2,199 9,201 3,202 3,204 4,207 7,209 2,212 7,217 6,220 4,222 4,223 1,224 9,229 7,232 5,234 6,236 1,237 3,242 2,245 4,247 2,249 2,250 2,252 1,253 2,255 2,258 2,260 1,263 2,265 1,266 2,268 1,271 2,273 1,275 848,276 16.955,277 16.955,278 16.955,279 16.955,280 16.955,281 14.609,282 14.23,283 9.698,284 17.347,285 13.749,286 13.749,287 13.749,288 13.749,289 13.749,290 10.057,291 10,292 4.495,293 14.343,294 3.92,295 1.608,296 0.77,297 0.5,298 0.5,299 0.5,300 3.965,303 1,304 1,305 1,306 515,307 2.915,310 46.537,311 170.098,314 89.282,315 94.047,318 1.622,319 18.807,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 54,331 236,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.431,342 2.977,343 6.267,344 3.931,345 2.956,346 4.362,348 9.472,349 2.883,350 3.887,351 2.683,352 6.086,353 3.535,354 2.578,355 3.365,357 8.625,358 2.464,359 3.773,360 2.505,361 5.723,362 3.38,363 2.426,364 3.191,366 7.513,367 2.313,368 3.536,369 2.252,370 5.22,371 3.128,372 2.171,373 2.906,375 6.47,376 2.073,377 3.118,378 1.82,379 4.82,380 2.683,381 1.742,382 2.427,384 4.818,385 1.636,386 3.031,387 1.618,388 4.511,389 2.603,390 1.618,391 2.255,393 4.444,394 1.592,395 2.984,396 1.51,397 4.378,398 2.449,399 1.506,400 2.127,402 4.072,403 1.416,404 2.533,405 1.069,406 3.862,407 2.012,408 1.066,409 1.547,411 2.763,412 1.006,413 2.227,414 0.856,415 3.493,416 1.797,417 0.827,418 1.111,420 2.067,421 0.8,422 2.117,423 0.781,424 3.282,425 1.734,426 0.75,427 1.009,428 1.73,429 0.738,430 1.652,431 0.481,432 2.871,433 1.412,434 0.445,435 0.523,436 0.73,437 0.429,438 1.077,439 -0.141,440 2.642,441 0.686,442 -0.261,443 -0.332,445 -0.594,446 -0.244,447 1.027,448 -0.341,449 2.425,450 0.578,451 -0.363,452 -0.486,454 -0.811,455 -0.345,456 0.882,457 -0.618,458 2.349,459 0.367,460 -0.618,461 -0.927,463 -1.826,464 -0.608,465 11.7,466 0.468,467 0.678,468 0.027,469 35.75,470 1.43,471 19,472 0.76,473 16.75,474 0.67,475 18.86,476 0.754,477 26.1,478 0.607,479 25.402,480 1.016,481 6.869,482 0.275,483 5.211,484 0.208,485 0.154,487 0.419,493 0.973,494 1.165,495 0.781,496 0.924,497 1.197,498 0.837,499 0.801,500 1.064,501 0.695,502 0.873,503 0.633,504 0.784,505 1.076,506 1.165,507 0.862,508 0.942,509 0.736,510 0.878,511 1.04,512 0.946,513 0.988,514 0.934,515 0.983,516 0.949,517 1.139,518 1.136,519 1.136,520 1.134,521 0.937,522 1.134,523 1.013,524 1.264,525 1.159,526 1.302,527 1.061,528 1.263,529 1.056,530 0.984,531 1.152,532 1.096,533 1.355,534 1.133,535 0.432,536 0.764,537 0.715,538 0.893,539 0.482,540 0.859,541 5,542 0.119,543 3.111,544 2.104,545 2.18,546 0.889,547 0.584,548 0.464,549 0.215,550 0.178,551 6649,552 17886,553 2.105,554 41.9,556 6,558 1,559 5,561 6,564 1.683,565 1.948,566 3.187,567 2.647,568 1,569 1,573 64.784,574 1.507,575 3.818,576 4.656,577 4.926,578 4.926,579 4.926,580 2.759,581 4.404,582 4.613,583 3.341,584 1002.27,585 7.996,586 11586.7,588 1,590 1,591 233.329,592 1.473,593 4.565,594 0.179,595 0.012,596 0.076,597 0.048,598 0.053,599 0.025,600 0.018,601 0.019,602 0.011,603 0.012,604 0.453,605 0.17,606 1,607 0.9,608 118.299,609 -0.02,610 0.06,611 0.035,612 0.079,613 -0.23,614 0.069,615 0.136,616 0.064,617 0.183,618 0.132,619 0.127,620 0.16,621 -0.083,622 -0.078,623 0.048,624 0.037,625 0.067,626 0.061,627 -0.016,628 0.101,629 -0.046,630 0.031,631 -0.025,632 -0.006,633 -0.238,634 -0.104,635 -0.214,636 -0.132,637 -0.12,638 -0.163,639 -0.136,640 -0.234,641 -0.244,642 -0.294,643 -0.094,644 -0.288,645 -0.133,646 -0.075,647 -0.147,648 -0.108,649 -0.276,650 -0.126,651 0.367,652 0.029,653 0.352,654 0.139,655 0.34,656 0.226,657 1.243,658 2.119,659 0.76,660 20.077,661 1.005,662 1.141,663 3.603,664 12.979,665 0.671,666 3.367,667 3.738,668 4.078,669 4.407,670 4.7,671 4.836,672 4.963,673 5.13,674 5.236,675 5.298,676 5.544,677 0.647,678 334.43,679 3.367,680 4.934,681 5.82,682 6.732,683 7.641,684 8.56,685 9.476,686 10.398,687 11.318,688 12.242,689 18.6,693 2,694 1,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 1,731 43,733 21,734 1,735 28,737 46,738 17,739 14,740 3,741 3,746 4,747 6,752 2,758 1,761 14,762 3,777 1,778 1,781 18,782 7,783 5,784 8,790 8,793 1,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 25,849 2,855 1,858 1,877 12.833,878 8.25,879 5.444,880 2.471,881 4.312,882 1.561,883 1.034,884 3.752,885 11.995,886 3.676,887 4.391,888 5.114,889 5.816,890 6.454,891 6.894,892 7.389,893 7.919,894 8.359,895 8.731,896 1,897 44,898 9.145,900 3.911,901 7.707,902 17.369,904 14.325,905 2.207,906 55.167,910 153.024,911 93.254,912 152.356,917 93.254,918 153.024,919 152.356,920 17.65,922 113.053,923 98.394,924 23.628,925 4.656,926 141.253,928 153.024,929 245.61,933 82.398,934 70.627,937 34.662,938 126.04,939 84.908,941 153.024,942 152.356,943 93.254,946 153.024,947 19.604,948 75.427,949 17.888,950 132.691,951 153.024,952 152.356,953 93.254,955 0.59,956 0.359,957 0.202,958 0.119,959 22,960 10,961 0.065,962 3,963 2,964 1.211,965 3.589,966 222.085,967 0.211,968 19,969 114.096,974 15.756,975 5.954,976 2.579,977 3.331,978 150.58,979 11.187,980 17.672,984 2.749,985 1.868,986 83.56,987 398.634,988 38.5,999 43.232,1000 49.062,1001 0.278,1002 0.704,1003 0.858,1004 0.908,1005 0.908,1006 0.908,1007 4.922,1008 1.506,1009 5.832,1010 4.444,1011 4.419,1012 5.078,1014 6.711,1015 4.341,1016 6.176,1017 1.066,1018 7.433,1019 4.072,1020 4.111,1021 5.047,1023 7.74,1024 4.001,1025 7.519,1026 0.827,1027 9.134,1028 2.763,1029 6.075,1030 7.449,1032 10.883,1033 5.927,1034 8.905,1035 0.75,1036 10.893,1037 2.067,1038 6.581,1039 8.26,1041 12.753,1042 6.402,1043 10.323,1044 0.445,1045 12.69,1046 1.73,1047 8.039,1048 10.139,1050 15.433,1051 7.827,1052 11.766,1053 -0.261,1054 14.513,1055 0.73,1056 8.914,1057 11.344,1059 17.658,1060 8.67,1061 13.228,1062 -0.363,1063 16.356,1064 -0.594,1065 10.185,1066 13.014,1068 20.193,1069 9.91,1070 3.339,1071 -0.618,1072 18.214,1073 -0.811,1074 11.229,1075 14.403,1077 22.568,1078 10.921,1079 2.956,1080 12.088,1081 20.086,1082 -1.826,1083 12.435,1084 15.988,1086 25.061,1087 12.094,1088 2.578,1089 9.472,1090 21.968,1091 4.737,1092 13.556,1093 17.46,1095 27.5,1096 13.181,1097 2.426,1098 8.625,1099 23.858,1100 4.362,1101 14.742,1102 19.014,1104 29.984,1105 14.334,1106 2.171,1107 7.513,1108 25.757,1109 3.365,1110 15.9,1111 20.522,1113 32.451,1114 15.456,1115 1.742,1116 6.47,1117 27.661,1118 3.191,1119 17.083,1120 22.065,1122 34.935,1123 16.605,1124 1.618,1125 4.818,1126 29.572,1127 2.906,1128 18.259,1129 23.591,1131 37.414,1132 17.745,1133 6390,1134 10611,1135 18.611,1136 28.853,1137 43.099,1138 42.826,1139 44.932,1140 42.881,1141 42.849,1142 59.122,1144 129.587,1145 41.148,1146 5.434,1147 5.376,1148 6.587,1149 5.376,1150 5.339,1151 7.737,1153 19.556,1154 5.222,1155 12.679,1156 1.539,1157 1.529,1158 1.605,1159 1.531,1160 1.53,1161 2.112,1163 4.628,1164 1.47,1165 4.159,1166 4.2,1167 4.138,1168 4.054,1169 5.26,1170 4.066,1171 3.994,1172 4.035,1173 3.964,1174 3.858,1175 5.161,1176 3.883,1177 3.58,1178 3.657,1179 3.445,1180 3.422,1181 4.923,1182 3.414,1183 3.51,1184 3.577,1185 3.443,1186 3.359,1187 4.832,1188 3.368,1189 3.188,1190 3.293,1191 3.085,1192 2.951,1193 4.517,1194 2.973,1195 3.114,1196 3.209,1197 2.979,1198 2.874,1199 4.265,1200 2.896,1201 3.002,1202 3.107,1203 2.883,1204 2.69,1205 4.042,1206 2.731,1207 2.874,1208 3.009,1209 2.742,1210 2.618,1211 3.943,1212 2.619,1213 0.17,1214 0.121,1215 0.251,1216 0.154,1217 0.119,1218 4.762,1219 0.169,1220 3.376,1222 7.039,1223 0.432,1224 4.303,1225 0.115,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 2.046,1232 2.024,1233 2.111,1234 2.129,1235 1.24,1236 2.125,1237 1.825,1238 1.782,1239 1.948,1240 2.021,1241 1.145,1242 1.993,1243 1.649,1244 1.586,1245 1.807,1246 1.851,1247 0.899,1248 1.846,1249 1.464,1250 1.411,1251 1.616,1252 1.672,1253 0.645,1254 1.66,1255 1.105,1256 1.039,1257 1.417,1258 1.434,1259 0.469,1260 1.413,1261 1.051,1262 0.959,1263 1.325,1264 1.34,1265 0.279,1266 1.333,1267 0.934,1268 0.804,1269 1.253,1270 1.239,1271 0.185,1272 1.308,1273 0.883,1274 0.78,1275 1.164,1276 1.206,1277 0.035,1278 1.203,1279 4.043,1281 5.398,1282 2.398,1283 6.959,1284 4.844,1285 8.616,1286 7.081,1287 10.322,1289 4.111,1293 11.538,1296 2.553,1299 0.158,1305 27.805,1306 64.784,1307 164.194,1308 200.21,1309 211.82,1310 211.82,1311 211.82,1312 32.654,1313 7.683,1314 120.56,1315 120.56,1316 23,1317 12.748,1318 4.459,1319 3.524,1320 35.82,1321 82,1322 100,1323 0.219,1324 172.274,1325 273.86,1326 412.11,1327 21356,1329 17.552,1330 0.702,1331 0.557,1332 17.552,1333 13.932,1334 12.08,1335 0.431,1336 0.284,1337 7.826,1338 11.569,1339 7.602,1340 6.357,1341 12.08,1342 7.947,1343 11.137,1344 0.272,1345 0.149,1346 11.137,1347 6.093,1348 9.738,1349 0.168,1350 0.071,1351 9.738,1352 4.118,1353 8.423,1354 0.104,1355 0.036,1356 8.423,1357 2.911,1358 7.246,1359 0.066,1360 0.019,1361 7.246,1362 2.065,1363 0.333,1364 75.94,1365 0.232,1366 23.743,1367 0.63,1368 138,1369 375.183,1370 151.627,1371 375.69,1372 534.76,1373 352,1374 168,1375 424.986,1376 182.876,1377 430.882,1378 634.37,1379 406,1380 6.331}
{0 CHEMBL1242024,1 1.572,2 7.238,3 2.645,4 6.995,5 83.298,6 7.457,7 0.696,8 3.751,9 3.885,10 3.315,11 3.251,12 4.926,13 3.244,14 4.24,15 4.431,16 3.704,17 3.631,18 5.35,19 3.612,20 4.437,21 4.63,22 3.787,23 3.763,24 5.558,25 3.735,26 4.572,27 4.802,28 3.79,29 3.807,30 5.676,31 3.751,32 4.534,33 4.758,34 3.618,35 3.766,36 5.562,37 3.691,38 4.464,39 4.683,40 3.575,41 3.701,42 5.564,43 3.615,44 4.532,45 4.804,46 3.202,47 3.584,48 5.56,49 3.437,50 4.38,51 4.705,52 2.623,53 3.261,54 5.275,55 2.981,56 0.073,57 0.608,58 7.907,59 3.079,60 11.318,61 4.213,62 0.154,63 0.936,64 14.125,65 5.064,66 18.744,67 7.279,68 0.196,69 1.104,70 17.501,71 5.607,72 23.229,73 8.23,74 0.313,75 1.198,76 21.094,77 6.696,78 35.322,79 9.972,80 0.286,81 1.13,82 20.29,83 6,84 34.138,85 9.036,86 0.193,87 1.063,88 18.424,89 6.047,90 27.124,91 9.168,92 0.376,93 0.992,94 21.681,95 5.88,96 47.945,97 9.25,98 0.302,99 0.679,100 20.299,101 6.978,102 47.47,103 10.676,104 27,105 34,106 0.281,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.105,113 0.884,114 -4.38,115 -4.31,116 -4.06,119 39.5,120 3,127 1,142 3,143 3,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 3,183 8,185 1,186 1,187 5,192 2,195 5,198 2,199 9,201 3,202 3,204 3,207 6,209 1,212 7,217 2,220 2,222 2,224 8,227 1,229 6,232 4,234 5,240 1,245 6,253 2,254 1,257 1,268 2,275 527,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 11.84,282 14.069,283 7.856,284 14.078,285 11.317,286 11.317,287 11.317,288 11.317,289 11.317,290 8.377,291 11.441,292 3.682,293 11.814,294 3.676,295 1.368,296 0.764,297 0.639,298 0.639,299 0.639,300 3.777,303 1,304 1,305 1,306 321,307 2.646,310 39.155,311 106.584,314 75.047,318 1.034,319 19.483,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 152,332 4.77,333 3.394,334 7.065,335 4.319,336 3.352,337 4.739,339 12.18,340 3.242,341 4.229,342 2.964,343 6.341,344 3.823,345 2.845,346 3.894,348 9.491,349 2.778,350 3.799,351 2.64,352 5.923,353 3.458,354 2.505,355 3.203,357 7.977,358 2.383,359 3.574,360 2.41,361 5.196,362 3.153,363 2.204,364 2.96,366 6.277,367 2.085,368 3.143,369 1.934,370 4.824,371 2.719,372 1.765,373 2.406,375 4.868,376 1.682,377 3.019,378 1.798,379 4.742,380 2.662,381 1.717,382 2.14,384 4.792,385 1.618,386 2.799,387 1.389,388 4.065,389 2.31,390 1.345,391 1.93,393 3.36,394 1.294,395 2.519,396 1.07,397 3.837,398 2.006,399 1.054,400 1.527,402 2.729,403 1.001,404 2.135,405 0.863,406 3.488,407 1.789,408 0.824,409 1.044,411 2.06,412 0.793,413 1.285,414 0.197,415 2.765,416 0.937,417 -0.025,418 -0.032,420 -0.062,421 -0.024,422 1.053,423 -0.12,424 2.427,425 0.602,426 -0.31,427 -0.401,428 -0.724,429 -0.282,430 0.797,431 -0.179,432 2.359,433 0.446,434 -0.515,435 -0.621,436 -1.242,437 -0.489,438 0.636,439 -0.753,440 2.256,441 0.131,442 -0.802,443 -1,445 -2,446 -0.746,447 0.227,448 -0.916,449 2.131,451 -1,452 -1.106,454 -2.257,455 -0.996,456 0.042,457 -1,458 1.803,459 -0.117,460 -1.059,461 -1.296,463 -3.036,464 -1,465 9.833,466 0.468,467 0.686,468 0.033,469 28.75,470 1.369,471 15,472 0.714,473 13.75,474 0.655,475 16.176,476 0.77,477 22.567,478 0.594,479 19.83,480 0.944,481 5.514,482 0.263,483 4.472,484 0.213,485 0.227,487 0.447,493 0.955,494 1.263,495 0.817,496 1.029,497 1.102,498 0.923,499 0.668,500 1.071,501 0.635,502 0.888,503 0.511,504 0.773,505 1.126,506 1.243,507 0.933,508 1.01,509 0.933,510 0.947,511 0.83,512 1.008,513 0.902,514 0.975,515 0.752,516 0.95,517 1.318,518 1.078,519 1.232,520 1.019,521 1.116,522 1.087,523 0.826,524 1.364,525 1.122,526 1.304,527 0.663,528 1.258,529 1.234,530 0.869,531 1.423,532 1.081,533 1.372,534 1.227,535 0.288,536 0.837,537 0.881,538 1.159,539 0.488,540 1.137,541 4.5,543 2.889,544 2.292,545 1.727,546 1.073,547 0.491,548 0.329,549 0.127,550 0.016,551 3598,552 9785,553 2.018,554 44.7,555 3,556 4,558 1,559 3,561 6,564 1.641,565 1.826,566 2.84,567 1.109,568 1,569 1,571 1,573 59.721,574 1.572,575 3.88,576 4.484,577 4.609,578 4.609,579 4.609,580 2.244,581 4.011,582 4.364,583 2.951,584 619.664,585 7.525,586 6328.49,587 1,588 1,589 1,590 1,591 199.421,592 1.545,593 4.289,594 0.196,596 0.085,597 0.064,598 0.049,599 0.037,600 0.018,601 0.021,602 0.018,603 0.005,604 0.493,605 0.5,606 1,607 0.911,608 91.633,609 -0.056,610 -0.04,611 0.029,612 0.029,613 -0.209,614 0.036,615 0.153,616 0.052,617 0.265,618 0.134,619 0.164,620 0.202,621 -0.13,622 -0.128,623 -0.015,624 -0.026,625 -0.067,626 -0.006,627 0.086,628 0.045,629 0.047,630 -0.014,631 0.063,632 0.002,633 -0.314,634 -0.013,635 -0.287,636 -0.067,637 -0.236,638 -0.153,639 -0.029,640 -0.311,641 -0.204,642 -0.317,643 0.087,644 -0.292,645 -0.248,646 0.109,647 -0.432,648 -0.175,649 -0.325,650 -0.295,651 0.439,652 -0.127,653 0.153,654 -0.139,655 0.348,656 -0.056,657 1.437,658 3.571,659 0.714,660 13.424,661 1.004,662 1.137,663 3.147,664 9.902,665 0.659,666 3.178,667 3.555,668 3.871,669 4.205,670 4.454,671 4.595,672 4.625,673 4.682,674 4.605,675 4.477,676 4.48,677 0.631,678 283.37,679 3.178,680 4.745,681 5.624,682 6.541,683 7.447,684 8.373,685 9.289,686 10.217,687 11.137,688 12.067,689 13.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,731 38,733 16,734 1,735 23,737 40,738 15,739 11,740 3,741 3,746 3,747 4,752 3,758 1,761 11,762 4,777 1,778 1,781 17,782 5,783 3,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 21,849 1,853 1,858 1,870 2.6,872 1,877 11.5,878 7.75,879 4.528,880 2.247,881 3.168,882 1.462,883 0.962,884 3.299,885 10.031,886 3.466,887 4.171,888 4.859,889 5.549,890 6.13,891 6.543,892 6.941,893 7.371,894 7.606,895 7.844,896 0.8,897 36,898 7.707,900 3.27,901 7.786,902 14.585,904 11.893,905 2.286,906 48,910 164.795,911 79.267,912 84.908,914 42.683,917 79.267,918 207.479,919 84.908,920 26.476,922 61.326,923 106.404,924 22.096,925 2.328,926 153.024,928 164.795,929 164.175,930 42.683,933 94.169,934 113.31,937 41.343,938 72.598,939 50.234,941 164.795,942 127.591,943 79.267,946 164.795,947 15.744,948 65.3,950 125.815,951 164.795,952 127.591,953 79.267,955 0.597,956 0.356,957 0.202,958 0.116,959 18,960 9,961 0.05,962 2,963 1,964 1.133,965 3.131,966 171.704,967 0.133,968 15,969 90.239,974 13.835,975 5.007,976 2.235,977 1.472,978 125.815,979 6.632,980 13.057,984 3.226,985 1.842,986 75.581,987 371.654,988 31,999 38.138,1000 43.192,1001 0.299,1002 0.739,1003 0.854,1004 0.878,1005 0.878,1006 0.878,1007 4.718,1008 1.054,1009 5.652,1010 3.36,1011 4.234,1012 4.856,1014 6.544,1015 4.154,1016 5.979,1017 0.824,1018 7.266,1019 2.729,1020 4.007,1021 4.856,1023 7.615,1024 3.895,1025 7.325,1026 -0.025,1027 8.981,1028 2.06,1029 5.9,1030 7.201,1032 10.772,1033 5.753,1034 8.712,1035 -0.31,1036 10.755,1037 -0.062,1038 6.463,1039 8.029,1041 12.685,1042 6.288,1043 10.133,1044 -0.515,1045 12.566,1046 -0.724,1047 7.891,1048 9.881,1050 15.387,1051 7.685,1052 11.578,1053 -0.802,1054 14.405,1055 -1.242,1056 8.807,1057 11.099,1059 17.644,1060 8.572,1061 13.045,1062 -1,1063 16.263,1064 -2,1065 10.07,1066 12.757,1068 20.199,1069 9.804,1070 3.352,1071 -1.059,1072 18.137,1073 -2.257,1074 11.142,1075 14.157,1077 22.597,1078 10.846,1079 2.845,1080 12.18,1081 20.024,1082 -3.036,1083 12.35,1084 15.742,1086 25.106,1087 12.023,1088 2.505,1089 9.491,1090 21.921,1091 4.739,1092 13.491,1093 17.224,1095 27.561,1096 13.132,1097 2.204,1098 7.977,1099 23.826,1100 3.894,1101 14.685,1102 18.782,1104 30.057,1105 14.294,1106 1.765,1107 6.277,1108 25.737,1109 3.203,1110 15.857,1111 20.301,1113 32.536,1114 15.433,1115 1.717,1116 4.868,1117 27.655,1118 2.96,1119 17.051,1120 21.852,1122 35.031,1123 16.593,1124 1.345,1125 4.792,1126 29.577,1127 2.406,1128 18.238,1129 23.389,1131 37.52,1132 17.747,1133 3629,1134 6091,1135 14.74,1136 25.051,1137 35.711,1138 35.285,1139 37.744,1140 35.259,1141 35.223,1142 47.686,1144 107.468,1145 33.751,1146 5.443,1147 5.394,1148 6.592,1149 5.391,1150 5.352,1151 7.739,1153 19.754,1154 5.242,1155 12.17,1156 1.553,1157 1.534,1158 1.641,1159 1.533,1160 1.531,1161 2.073,1163 4.673,1164 1.467,1165 4.136,1166 4.182,1167 4.118,1168 4.003,1169 6.471,1170 4.024,1171 3.858,1172 3.888,1173 3.804,1174 3.753,1175 5.255,1176 3.764,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.873,1182 3.399,1183 3.218,1184 3.29,1185 3.131,1186 3.032,1187 4.613,1188 3.034,1189 3.172,1190 3.26,1191 2.981,1192 2.97,1193 4.442,1194 2.979,1195 3.004,1196 3.112,1197 2.88,1198 2.696,1199 4.06,1200 2.734,1201 2.874,1202 3.009,1203 2.712,1204 2.624,1205 3.867,1206 2.636,1207 2.838,1208 2.893,1209 2.499,1210 2.618,1211 3.687,1212 2.57,1213 0.207,1214 0.148,1215 0.307,1216 0.188,1217 0.146,1218 4.77,1219 0.206,1220 3.394,1222 7.065,1223 0.53,1224 4.319,1225 0.141,1226 3.352,1227 4.739,1229 12.18,1230 3.242,1231 1.948,1232 1.928,1233 2.033,1234 2.044,1235 1.181,1236 2.034,1237 1.801,1238 1.753,1239 1.947,1240 1.994,1241 1.14,1242 1.98,1243 1.613,1244 1.548,1245 1.779,1246 1.814,1247 0.848,1248 1.815,1249 1.206,1250 1.135,1251 1.539,1252 1.428,1253 0.589,1254 1.468,1255 1.139,1256 1.075,1257 1.417,1258 1.408,1259 0.469,1260 1.379,1261 0.934,1262 0.804,1263 1.262,1264 1.239,1265 0.261,1266 1.308,1267 0.879,1268 0.789,1269 1.152,1270 1.231,1271 0.087,1272 1.215,1273 0.764,1274 0.687,1275 1.02,1276 1.079,1277 0.032,1278 1.064,1279 3.85,1281 5.209,1282 2.398,1283 6.767,1284 4.844,1285 8.421,1286 7.081,1287 10.127,1289 6.006,1293 6.034,1294 9.571,1299 0.16,1305 23.983,1306 59.721,1307 147.447,1308 170.402,1309 175.157,1310 175.157,1311 175.157,1312 31.344,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.571,1318 4.087,1319 3.17,1320 31.823,1321 55,1322 61,1323 0.295,1324 149.951,1325 243.59,1326 357.641,1327 7124,1329 15.146,1330 0.721,1331 0.581,1332 15.146,1333 12.2,1334 9.986,1335 0.434,1336 0.295,1337 6.68,1338 9.59,1339 6.408,1340 5.393,1341 9.986,1342 6.774,1343 9.516,1344 0.28,1345 0.157,1346 9.516,1347 5.344,1348 7.841,1349 0.167,1350 0.074,1351 7.841,1352 3.472,1353 6.919,1354 0.105,1355 0.037,1356 6.919,1357 2.458,1358 5.51,1359 0.065,1360 0.019,1361 5.51,1362 1.625,1363 0.433,1364 62.636,1365 0.26,1366 20.007,1367 0.908,1368 114,1369 318.042,1370 125.54,1371 315.48,1372 442.19,1373 294,1374 138,1375 345.323,1376 150.291,1377 350.56,1378 515.09,1379 329,1380 6.319}
{0 CHEMBL1242025,1 1.54,2 10.12,3 3.683,4 13.567,5 97.175,6 7.891,7 0.786,8 3.862,9 3.983,10 3.486,11 3.425,12 5.041,13 3.421,14 4.332,15 4.487,16 3.828,17 3.795,18 5.465,19 3.775,20 4.495,21 4.66,22 3.869,23 3.879,24 5.584,25 3.839,26 4.611,27 4.819,28 3.786,29 3.828,30 5.692,31 3.768,32 4.56,33 4.801,34 3.635,35 3.77,36 5.53,37 3.688,38 4.426,39 4.641,40 3.64,41 3.726,42 5.454,43 3.661,44 4.41,45 4.618,46 3.573,47 3.732,48 5.453,49 3.639,50 4.458,51 4.713,52 3.366,53 3.643,54 5.358,55 3.512,56 0.062,57 0.656,58 7.69,59 3.41,60 9.52,61 4.253,62 0.174,63 1.004,64 13.819,65 5.768,66 18.003,67 7.292,68 0.103,69 1.141,70 16.514,71 6.973,72 15.806,73 8.998,74 0.352,75 1.22,76 21.201,77 7.637,78 37.545,79 9.873,80 0.311,81 1.132,82 21.292,83 7.242,84 31.371,85 9.937,86 0.224,87 1.014,88 17.529,89 6.485,90 24.653,91 8.763,92 0.27,93 1.01,94 16.547,95 6.464,96 25.783,97 8.882,98 0.174,99 1.003,100 19.349,101 7.227,102 24.522,103 10.179,104 5,105 39,106 0.265,107 0.63,108 0.755,109 0.837,110 0.86,111 0.86,112 3.267,113 0.851,114 -5.11,115 -5.01,116 -4.69,119 45.2,120 1,125 1,142 8,143 4,144 1,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 11,174 2,175 6,177 1,178 1,180 3,183 12,185 1,187 6,190 1,192 2,195 9,198 1,199 7,201 2,202 3,203 1,204 2,206 1,207 4,209 1,212 7,215 1,217 3,220 8,222 2,223 1,224 3,229 2,232 12,234 1,236 2,237 3,239 1,240 1,242 2,245 11,247 1,250 3,255 3,258 7,260 1,263 4,268 3,271 3,273 1,275 878,276 17.206,277 17.206,278 17.206,279 17.206,280 17.206,281 14.54,282 11.647,283 10.201,284 17.541,285 13.826,286 13.826,287 13.826,288 13.826,289 13.826,290 9.919,291 12.202,292 4.844,293 14.357,294 3.853,295 1.736,296 1.006,297 0.53,298 0.399,299 0.399,300 3.968,303 1,304 1,305 1,306 559,307 2.449,310 50.613,311 220.595,314 96.47,318 1.565,319 17.074,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 253,332 4.671,333 3.273,334 6.887,335 4.21,336 3.237,337 4.629,338 1.151,339 11.504,340 3.148,341 4.229,342 3.115,343 6.11,344 3.811,345 2.845,346 3.89,348 8.896,349 2.746,350 3.893,351 2.737,352 5.737,353 3.499,354 2.509,355 3.442,357 7.581,358 2.485,359 3.694,360 2.418,361 5.334,362 3.302,363 2.335,364 3.1,366 6.934,367 2.254,368 3.42,369 2.061,370 5.034,371 2.917,372 1.991,373 2.807,375 5.677,376 1.841,377 3.008,378 1.953,379 4.438,380 2.572,381 1.615,382 2.244,384 4.072,385 1.54,386 2.959,387 1.556,388 4.235,389 2.453,390 1.508,391 2.13,393 3.978,394 1.42,395 2.838,396 1.522,397 3.814,398 2.4,399 1.414,400 1.976,402 3.106,403 1.388,404 2.553,405 1.077,406 3.629,407 2.01,408 1.065,409 1.578,411 2.685,412 1.004,413 2.5,414 1,415 3.314,416 2,417 1,418 1.5,420 2.136,421 1,422 2.186,423 0.958,424 3.247,425 1.703,426 0.745,427 1.053,428 1.808,429 0.712,430 1.883,431 0.793,432 3.138,433 1.557,434 0.642,435 0.775,436 1.504,437 0.581,438 1.259,439 0.312,440 2.647,441 0.957,442 -0.013,443 -0.016,445 -0.03,446 -0.012,447 1.041,448 -0.175,449 2.44,450 0.591,451 -0.323,452 -0.416,454 -0.743,455 -0.294,456 0.831,457 -0.289,458 2.365,459 0.44,460 -0.527,461 -0.675,463 -1.292,464 -0.508,465 11.833,466 0.473,467 0.538,468 0.022,469 37.25,470 1.49,471 21,472 0.84,473 16.25,474 0.65,475 16.5,476 0.66,477 25.367,478 0.604,479 25.61,480 1.024,481 7.537,482 0.301,483 4.683,484 0.187,485 0.076,487 0.338,493 0.91,494 1.066,495 0.746,496 0.92,497 1.059,498 0.824,499 1.007,500 0.939,501 0.802,502 0.908,503 0.801,504 0.849,505 1.006,506 1.292,507 0.945,508 1.254,509 0.836,510 1.129,511 1.373,512 0.99,513 1.092,514 1.077,515 1.063,516 1.071,517 1.188,518 0.873,519 1.012,520 0.873,521 0.974,522 0.909,523 1.025,524 0.947,525 0.922,526 0.925,527 1.001,528 0.915,529 0.644,530 0.989,531 1.075,532 1.119,533 0.774,534 1.152,535 0.81,536 1.066,537 1.035,538 1.124,539 0.831,540 1.121,541 4,542 0.069,543 2.889,544 1.438,545 1.388,546 0.642,547 0.467,548 0.408,549 0.168,550 0.135,551 7459,552 19536,553 2.154,554 40.5,555 3,556 10,558 1,559 3,564 1.681,565 2.055,566 3.315,567 0.966,569 1,573 64.67,574 1.54,575 3.657,576 4.386,577 4.862,578 4.993,579 4.993,580 2.725,581 4.484,582 4.616,583 3.459,584 1037.55,585 7.985,586 12487.8,587 1,588 1,590 1,591 226.477,592 1.26,593 4.592,594 0.143,595 0.005,596 0.074,597 0.037,598 0.041,599 0.021,600 0.015,601 0.015,602 0.008,603 0.008,604 0.366,605 0.17,606 1,607 0.477,608 120.249,609 -0.023,610 0.057,611 0.043,612 0.038,613 -0.168,614 0.051,615 0.043,616 0.115,617 0.065,618 0.065,619 0.059,620 0.063,621 0.001,622 -0.288,623 -0.058,624 -0.269,625 0.019,626 -0.191,627 0.001,628 -0.02,629 -0.094,630 -0.116,631 0.046,632 -0.131,633 -0.081,634 0.076,635 0.008,636 0.105,637 -0.004,638 0.079,639 -0.008,640 0.017,641 0.048,642 0.066,643 -0.017,644 0.066,645 0.195,646 -0.006,647 -0.144,648 -0.129,649 0.059,650 -0.175,651 -0.023,652 -0.173,653 -0.022,654 -0.105,655 -0.001,656 -0.074,657 1.263,658 2.507,659 0.84,660 20.854,661 1.003,662 1.124,663 3.882,664 15.071,665 0.692,666 3.367,667 3.689,668 3.989,669 4.263,670 4.477,671 4.522,672 4.644,673 4.796,674 4.828,675 4.852,676 6.006,677 0.666,678 331.41,679 3.367,680 4.905,681 5.765,682 6.645,683 7.522,684 8.41,685 9.295,686 10.188,687 11.078,688 11.974,689 11.9,693 1,697 1,699 3,703 2,704 9,705 3,706 1,709 6,711 22,722 1,729 1,731 42,733 22,734 2,735 28,737 45,738 19,739 17,740 4,741 8,746 4,747 5,752 1,761 17,762 2,777 1,778 1,781 17,782 5,783 3,784 6,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,840 3,844 1,848 25,849 1,854 1,856 1,870 2.4,875 1,877 12.167,878 7.85,879 5.472,880 2.347,881 4.142,882 1.556,883 1.036,884 4.081,885 11.594,886 3.689,887 4.347,888 4.996,889 5.623,890 6.167,891 6.459,892 6.899,893 7.374,894 7.658,895 7.985,896 0.857,897 39,898 9.16,900 3.872,901 7.653,902 17.483,904 14.217,905 2.153,906 53.833,909 1,910 164.795,911 122.019,912 99.794,914 11,917 122.019,918 175.795,919 99.794,920 8.825,921 4.592,922 108.707,923 62.005,924 55.37,925 5.085,926 153.024,928 164.795,929 221.814,930 11,933 166.511,934 11,937 38.699,938 131.165,939 50.234,941 164.795,942 110.794,943 122.019,946 164.795,947 28.765,948 93.254,949 16.663,950 94.131,951 164.795,952 110.794,953 122.019,955 0.58,956 0.345,957 0.189,958 0.102,959 20,960 8,961 0.089,962 4,963 1,964 1.095,965 3.771,966 211.177,967 0.095,968 21,969 112.096,974 15.609,975 6.536,976 3.064,977 1.273,978 94.131,979 17.489,980 12.401,981 3.003,984 5.126,986 49.56,987 397.609,988 39,999 42.138,1000 47.192,1001 0.286,1002 0.678,1003 0.813,1004 0.902,1005 0.926,1006 0.926,1007 4.902,1008 1.414,1009 5.74,1010 3.978,1011 4.369,1012 5.034,1013 1.294,1014 6.555,1015 4.298,1016 6.123,1017 1.065,1018 7.298,1019 3.106,1020 3.892,1021 4.808,1023 7.479,1024 3.805,1025 7.436,1026 1,1027 8.96,1028 2.685,1029 5.958,1030 7.312,1031 1.506,1032 10.61,1033 5.83,1034 8.79,1035 0.745,1036 10.687,1037 2.136,1038 6.347,1039 7.975,1041 12.426,1042 6.201,1043 10.179,1044 0.642,1045 12.456,1046 1.808,1047 7.854,1048 9.905,1049 1.731,1050 15.074,1051 7.674,1052 11.594,1053 -0.013,1054 14.256,1055 1.504,1056 8.648,1057 11.001,1059 17.255,1060 8.445,1061 13.03,1062 -0.323,1063 16.079,1064 -0.03,1065 9.931,1066 12.689,1067 1.968,1068 19.753,1069 9.699,1070 3.237,1071 -0.527,1072 17.919,1073 -0.743,1074 10.918,1075 14.004,1077 22.084,1078 10.659,1079 2.845,1080 11.504,1081 19.773,1082 -1.292,1083 12.114,1084 15.59,1085 2.214,1086 24.537,1087 11.827,1088 2.509,1089 8.896,1090 21.638,1091 4.629,1092 13.192,1093 17.013,1095 26.931,1096 12.876,1097 2.335,1098 7.581,1099 23.513,1100 3.89,1101 14.357,1102 18.557,1103 2.468,1104 29.371,1105 14.014,1106 1.991,1107 6.934,1108 25.395,1109 3.442,1110 15.478,1111 20.033,1113 31.792,1114 15.107,1115 1.615,1116 5.677,1117 27.284,1118 3.1,1119 16.636,1120 21.562,1121 2.727,1122 34.23,1123 16.237,1124 1.508,1125 4.072,1126 29.179,1127 2.807,1128 17.778,1129 23.064,1131 36.662,1132 17.351,1133 6997,1134 11480,1135 19.186,1136 29.051,1137 42.24,1138 42.318,1139 42.976,1140 41.808,1141 41.815,1142 58.252,1143 2.302,1144 119.76,1145 40.235,1146 5.501,1147 5.273,1148 6.689,1149 5.282,1150 5.237,1151 7.629,1152 2.302,1153 18.714,1154 5.148,1155 8.789,1156 1.509,1157 1.511,1158 1.535,1159 1.493,1160 1.493,1161 2.08,1162 0.082,1163 4.277,1164 1.437,1165 4.114,1166 4.158,1167 4.092,1168 3.99,1169 5.283,1170 4.008,1171 3.918,1172 3.948,1173 3.855,1174 3.842,1175 4.929,1176 3.839,1177 3.83,1178 3.862,1179 3.772,1180 3.734,1181 4.839,1182 3.745,1183 3.347,1184 3.437,1185 3.277,1186 3.119,1187 4.706,1188 3.138,1189 3.218,1190 3.266,1191 3.086,1192 3.033,1193 4.499,1194 3.033,1195 3.111,1196 3.207,1197 2.962,1198 2.861,1199 4.263,1200 2.881,1201 2.971,1202 3.085,1203 2.817,1204 2.735,1205 3.873,1206 2.715,1207 2.854,1208 2.925,1209 2.689,1210 2.703,1211 3.674,1212 2.706,1213 0.167,1214 0.117,1215 0.246,1216 0.15,1217 0.116,1218 4.671,1219 0.165,1220 3.273,1221 0.041,1222 6.887,1223 0.411,1224 4.21,1225 0.112,1226 3.237,1227 4.629,1228 1.151,1229 11.504,1230 3.148,1231 1.957,1232 1.937,1233 2.053,1234 2.051,1235 1.188,1236 2.05,1237 1.895,1238 1.867,1239 2.013,1240 1.982,1241 1.124,1242 1.992,1243 1.751,1244 1.713,1245 1.814,1246 1.924,1247 0.892,1248 1.899,1249 1.356,1250 1.284,1251 1.563,1252 1.657,1253 0.611,1254 1.617,1255 1.186,1256 1.135,1257 1.455,1258 1.421,1259 0.591,1260 1.436,1261 1.071,1262 0.972,1263 1.325,1264 1.358,1265 0.256,1266 1.376,1267 0.886,1268 0.821,1269 1.181,1270 1.223,1271 0.218,1272 1.216,1273 0.838,1274 0.781,1275 1.151,1276 1.062,1277 0.154,1278 1.107,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.727,1285 8.496,1286 6.862,1287 10.156,1289 2.02,1293 5.999,1295 0.514,1297 6.007,1305 27.983,1306 64.67,1307 153.583,1308 184.213,1309 204.213,1310 209.722,1311 209.722,1312 30.417,1313 7.452,1314 89.71,1315 89.71,1316 23,1317 12.5,1318 4.524,1319 3.585,1320 35.921,1321 90,1322 92,1323 0.196,1324 172.145,1325 281.61,1326 411.794,1327 17797,1329 17.225,1330 0.689,1331 0.549,1332 17.225,1333 13.73,1334 12.22,1335 0.436,1336 0.284,1337 7.839,1338 11.796,1339 7.63,1340 6.366,1341 12.22,1342 7.945,1343 10.879,1344 0.279,1345 0.149,1346 10.879,1347 5.811,1348 9.48,1349 0.179,1350 0.077,1351 9.48,1352 4.094,1353 7.977,1354 0.114,1355 0.039,1356 7.977,1357 2.734,1358 6.442,1359 0.074,1360 0.021,1361 6.442,1362 1.813,1363 0.305,1364 76.336,1365 0.228,1366 24.222,1367 0.542,1368 134,1369 376.316,1370 145.619,1371 371.765,1372 522.24,1373 350,1374 159,1375 399.68,1376 171.757,1377 408.087,1378 595.59,1379 383,1380 4.833}
{0 CHEMBL1242026,1 1.572,2 7.286,3 2.645,4 6.995,5 83.298,6 7.457,7 0.696,8 3.751,9 3.885,10 3.315,11 3.251,12 4.926,13 3.244,14 4.24,15 4.431,16 3.704,17 3.631,18 5.343,19 3.612,20 4.437,21 4.629,22 3.794,23 3.755,24 5.579,25 3.73,26 4.58,27 4.81,28 3.748,29 3.776,30 5.71,31 3.719,32 4.491,33 4.73,34 3.582,35 3.702,36 5.524,37 3.625,38 4.352,39 4.55,40 3.536,41 3.623,42 5.496,43 3.554,44 4.474,45 4.741,46 3.245,47 3.528,48 5.584,49 3.388,50 4.303,51 4.616,52 2.766,53 3.205,54 5.197,55 3.011,56 0.073,57 0.608,58 7.907,59 3.079,60 11.318,61 4.213,62 0.154,63 0.936,64 14.125,65 5.064,66 17.701,67 7.279,68 0.177,69 1.099,70 17.448,71 5.599,72 21.655,73 8.23,74 0.378,75 1.169,76 21.691,77 6.577,78 45.027,79 9.657,80 0.289,81 1.06,82 19.804,83 5.918,84 33.451,85 9.066,86 0.173,87 0.967,88 16.025,89 5.326,90 22.479,91 7.887,92 0.401,93 0.923,94 20.48,95 5.867,96 57.939,97 9.137,98 0.24,99 0.657,100 18.758,101 5.75,102 35.965,103 8.733,104 27,105 34,106 0.281,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.105,113 0.884,114 -4.38,115 -4.31,116 -4.06,119 39.5,120 3,127 1,142 3,143 3,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 3,183 7,185 1,186 1,187 5,192 3,195 6,198 2,199 7,201 3,202 3,204 2,207 4,209 1,212 6,215 1,217 3,220 3,222 2,224 6,227 1,229 3,232 5,234 3,237 3,240 2,241 1,242 1,244 1,245 2,247 1,250 2,255 3,258 2,260 1,271 2,275 530,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 11.84,282 12.584,283 7.818,284 14.07,285 11.301,286 11.301,287 11.301,288 11.301,289 11.301,290 8.368,291 9.346,292 3.657,293 11.79,294 3.676,295 1.368,296 0.764,297 0.639,298 0.639,299 0.639,300 3.777,303 1,304 1,305 1,306 323,307 2.646,310 39.793,311 107.231,314 76.128,318 1.061,319 19.911,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 153,332 4.76,333 3.377,334 7.039,335 4.301,336 3.338,337 4.732,339 12.086,340 3.218,341 4.216,342 3.006,343 6.179,344 3.802,345 2.827,346 3.879,348 8.977,349 2.752,350 3.814,351 2.671,352 5.927,353 3.488,354 2.533,355 3.214,357 8.067,358 2.417,359 3.679,360 2.406,361 5.657,362 3.284,363 2.321,364 3.085,366 7.235,367 2.233,368 3.03,369 1.821,370 4.819,371 2.683,372 1.743,373 2.244,375 4.818,376 1.636,377 2.98,378 1.684,379 4.469,380 2.452,381 1.508,382 2.126,384 4.123,385 1.42,386 2.82,387 1.524,388 4.039,389 2.384,390 1.414,391 1.948,393 3.512,394 1.365,395 2.521,396 1.075,397 3.86,398 2.009,399 1.062,400 1.531,402 2.758,403 1.004,404 2.127,405 0.856,406 3.49,407 1.779,408 0.815,409 1.033,411 2.05,412 0.784,413 1.371,414 0.42,415 2.736,416 1.064,417 0.103,418 0.124,420 0.227,421 0.098,422 1.058,423 -0.15,424 2.427,425 0.618,426 -0.294,427 -0.374,428 -0.685,429 -0.267,430 0.781,431 -0.375,432 2.375,433 0.356,434 -0.595,435 -0.77,436 -1.604,437 -0.56,438 0.621,439 -0.751,440 2.256,441 0.13,442 -0.815,443 -1,445 -2,446 -0.764,447 0.227,448 -0.915,449 2.131,451 -1,452 -1.114,454 -2.268,455 -1,457 -1,458 1.805,459 -0.099,460 -1.062,461 -1.285,463 -3.043,464 -1.026,465 9.833,466 0.468,467 0.686,468 0.033,469 28.75,470 1.369,471 15,472 0.714,473 13.75,474 0.655,475 15.967,476 0.76,477 22.567,478 0.594,479 19.87,480 0.946,481 5.514,482 0.263,483 4.472,484 0.213,485 0.227,487 0.447,493 0.955,494 1.263,495 0.817,496 1.029,497 1.102,498 0.923,499 0.668,500 1.071,501 0.635,502 0.888,503 0.532,504 0.773,505 1.097,506 1.284,507 0.918,508 1.06,509 0.872,510 0.969,511 1.143,512 0.96,513 1.011,514 0.947,515 1.172,516 0.961,517 1.037,518 1.016,519 1.059,520 0.955,521 0.805,522 0.988,523 0.972,524 1.397,525 1.181,526 1.357,527 1.007,528 1.303,529 0.972,530 0.916,531 1.254,532 1.1,533 1.086,534 1.191,535 1.031,536 0.801,537 0.948,538 0.956,539 1.083,540 0.955,541 4.5,543 3.111,544 2.042,545 1.807,546 0.827,547 0.566,548 0.386,549 0.148,550 0.016,551 3654,552 9677,553 2.018,554 44.7,555 3,556 4,558 1,559 3,561 6,564 1.64,565 1.826,566 2.878,567 1.109,568 1,569 1,571 1,573 59.721,574 1.572,575 3.88,576 4.484,577 4.609,578 4.609,579 4.609,580 2.244,581 4.202,582 4.364,583 2.982,584 626.115,585 7.519,586 6413.99,587 1,588 1,589 1,590 1,591 199.421,592 1.545,593 4.289,594 0.196,596 0.092,597 0.057,598 0.055,599 0.03,600 0.022,601 0.023,602 0.015,603 0.005,604 0.493,605 0.5,606 1,607 0.911,608 91.933,609 -0.056,610 -0.04,611 0.029,612 0.029,613 -0.209,614 0.036,615 0.153,616 0.052,617 0.265,618 0.134,619 0.143,620 0.202,621 -0.099,622 -0.169,623 0.001,624 -0.077,625 -0.004,626 -0.028,627 -0.016,628 0.073,629 -0.037,630 -0.001,631 -0.071,632 -0.027,633 -0.112,634 0.013,635 -0.103,636 0.002,637 -0.011,638 -0.035,639 -0.068,640 -0.306,641 -0.274,642 -0.368,643 -0.079,644 -0.353,645 0.04,646 0.033,647 -0.259,648 -0.171,649 -0.003,650 -0.24,651 -0.011,652 -0.055,653 0.11,654 0.022,655 0.068,656 0.076,657 1.435,658 3.922,659 0.714,660 13.56,661 1.004,662 1.137,663 3.147,664 9.902,665 0.659,666 3.178,667 3.555,668 3.871,669 4.174,670 4.443,671 4.564,672 4.625,673 4.71,674 4.644,675 4.511,676 4.558,677 0.631,678 283.37,679 3.178,680 4.745,681 5.624,682 6.535,683 7.441,684 8.36,685 9.275,686 10.198,687 11.117,688 12.041,689 13.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,731 38,733 16,734 1,735 23,737 40,738 15,739 11,740 3,741 3,746 3,747 4,752 3,758 1,761 11,762 4,777 1,778 1,781 17,782 5,783 3,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 21,849 1,853 1,858 1,870 2.6,872 1,877 11.5,878 7.75,879 4.528,880 2.247,881 3.139,882 1.457,883 0.962,884 3.299,885 10.002,886 3.466,887 4.171,888 4.859,889 5.531,890 6.123,891 6.526,892 6.946,893 7.39,894 7.628,895 7.866,896 0.8,897 36,898 7.715,900 3.281,901 7.786,902 14.585,904 11.893,905 2.286,906 48,910 164.795,911 79.267,912 84.908,914 42.683,917 79.267,918 207.479,919 84.908,920 26.476,922 61.326,923 106.404,924 22.096,925 2.328,926 153.024,928 164.795,929 164.175,930 42.683,933 94.169,934 113.31,937 41.343,938 72.598,939 50.234,941 164.795,942 127.591,943 79.267,946 164.795,947 15.744,948 65.3,950 125.815,951 164.795,952 127.591,953 79.267,955 0.599,956 0.36,957 0.193,958 0.114,959 18,960 9,961 0.05,962 2,963 1,964 1.133,965 3.144,966 170.795,967 0.133,968 15,969 90.239,974 13.835,975 5.007,976 2.235,977 1.419,978 125.815,979 6.891,980 12.967,984 2.92,985 1.819,986 75.581,987 371.654,988 31,999 38.138,1000 43.192,1001 0.299,1002 0.739,1003 0.854,1004 0.878,1005 0.878,1006 0.878,1007 4.718,1008 1.062,1009 5.652,1010 3.512,1011 4.234,1012 4.856,1014 6.538,1015 4.154,1016 5.979,1017 0.815,1018 7.266,1019 2.758,1020 4.007,1021 4.856,1023 7.597,1024 3.895,1025 7.325,1026 0.103,1027 8.98,1028 2.05,1029 5.9,1030 7.201,1032 10.742,1033 5.751,1034 8.712,1035 -0.294,1036 10.751,1037 0.227,1038 6.463,1039 8.029,1041 12.635,1042 6.281,1043 10.132,1044 -0.595,1045 12.558,1046 -0.685,1047 7.886,1048 9.879,1050 15.326,1051 7.671,1052 11.577,1053 -0.815,1054 14.391,1055 -1.604,1056 8.796,1057 11.093,1059 17.569,1060 8.545,1061 13.041,1062 -1,1063 16.242,1064 -2,1065 10.054,1066 12.75,1068 20.115,1069 9.77,1070 3.338,1071 -1.062,1072 18.109,1073 -2.268,1074 11.117,1075 14.146,1077 22.504,1078 10.797,1079 2.827,1080 12.086,1081 19.987,1082 -3.043,1083 12.32,1084 15.729,1086 25.007,1087 11.965,1088 2.533,1089 8.977,1090 21.876,1091 4.732,1092 13.453,1093 17.208,1095 27.456,1096 13.061,1097 2.321,1098 8.067,1099 23.773,1100 3.879,1101 14.641,1102 18.765,1104 29.947,1105 14.215,1106 1.743,1107 7.235,1108 25.677,1109 3.214,1110 15.807,1111 20.281,1113 32.421,1114 15.343,1115 1.508,1116 4.818,1117 27.587,1118 3.085,1119 16.995,1120 21.831,1122 34.91,1123 16.495,1124 1.414,1125 4.123,1126 29.503,1127 2.244,1128 18.176,1129 23.366,1131 37.394,1132 17.639,1133 3681,1134 6105,1135 14.74,1136 25.051,1137 35.678,1138 35.649,1139 37.742,1140 35.366,1141 35.327,1142 47.83,1144 107.705,1145 33.854,1146 5.427,1147 5.377,1148 6.567,1149 5.374,1150 5.338,1151 7.732,1153 19.551,1154 5.218,1155 12.257,1156 1.551,1157 1.55,1158 1.641,1159 1.538,1160 1.536,1161 2.08,1163 4.683,1164 1.472,1165 4.134,1166 4.18,1167 4.116,1168 3.999,1169 6.469,1170 4.02,1171 3.863,1172 3.892,1173 3.809,1174 3.76,1175 5.254,1176 3.771,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 4.873,1182 3.4,1183 3.267,1184 3.343,1185 3.163,1186 3.095,1187 4.616,1188 3.101,1189 3.067,1190 3.175,1191 2.909,1192 2.808,1193 4.453,1194 2.823,1195 2.969,1196 3.074,1197 2.813,1198 2.746,1199 4.08,1200 2.749,1201 2.93,1202 3.009,1203 2.803,1204 2.671,1205 3.82,1206 2.704,1207 2.874,1208 2.97,1209 2.499,1210 2.618,1211 3.652,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.377,1222 7.039,1223 0.525,1224 4.301,1225 0.14,1226 3.338,1227 4.732,1229 12.086,1230 3.218,1231 1.944,1232 1.924,1233 2.03,1234 2.042,1235 1.169,1236 2.032,1237 1.804,1238 1.756,1239 1.947,1240 1.994,1241 1.138,1242 1.981,1243 1.62,1244 1.555,1245 1.789,1246 1.82,1247 0.876,1248 1.821,1249 1.266,1250 1.199,1251 1.537,1252 1.476,1253 0.594,1254 1.495,1255 0.999,1256 0.903,1257 1.417,1258 1.33,1259 0.469,1260 1.322,1261 0.934,1262 0.839,1263 1.225,1264 1.239,1265 0.198,1266 1.308,1267 0.883,1268 0.804,1269 1.143,1270 1.174,1271 0.13,1272 1.152,1273 0.809,1274 0.729,1275 1.067,1276 1.13,1277 0.031,1278 1.128,1279 3.85,1281 5.209,1282 2.398,1283 6.767,1284 4.844,1285 8.418,1286 7.081,1287 10.117,1289 5.906,1293 6.009,1294 9.922,1299 0.148,1305 23.983,1306 59.721,1307 147.447,1308 170.402,1309 175.157,1310 175.157,1311 175.157,1312 32.192,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.867,1321 56,1322 59,1323 0.289,1324 149.951,1325 243.59,1326 357.641,1327 7124,1329 15.146,1330 0.721,1331 0.581,1332 15.146,1333 12.2,1334 9.986,1335 0.434,1336 0.295,1337 6.68,1338 9.594,1339 6.408,1340 5.393,1341 9.986,1342 6.774,1343 9.485,1344 0.279,1345 0.157,1346 9.485,1347 5.346,1348 8.038,1349 0.171,1350 0.074,1351 8.038,1352 3.49,1353 6.619,1354 0.103,1355 0.036,1356 6.619,1357 2.314,1358 5.55,1359 0.066,1360 0.019,1361 5.55,1362 1.625,1363 0.427,1364 62.636,1365 0.26,1366 20.069,1367 0.881,1368 114,1369 318.042,1370 125.54,1371 315.504,1372 442.21,1373 294,1374 138,1375 345.323,1376 150.623,1377 350.623,1378 515.24,1379 329,1380 6.553}
{0 CHEMBL1242028,1 1.843,2 7.273,3 2.57,4 6.603,5 78.69,6 8.723,7 0.667,8 3.707,9 3.828,10 3.379,11 3.175,12 5.024,13 3.214,14 4.188,15 4.354,16 3.796,17 3.546,18 5.508,19 3.587,20 4.417,21 4.596,22 3.922,23 3.646,24 5.884,25 3.697,26 4.5,27 4.71,28 3.9,29 3.654,30 5.961,31 3.68,32 4.406,33 4.608,34 3.777,35 3.606,36 5.859,37 3.608,38 4.334,39 4.514,40 3.743,41 3.541,42 5.83,43 3.54,44 4.445,45 4.697,46 3.468,47 3.393,48 5.876,49 3.347,50 4.239,51 4.537,52 2.9,53 2.959,54 5.602,55 2.862,56 0.194,57 0.706,58 5.402,59 2.805,60 22.528,61 3.093,62 0.349,63 1.096,64 10.744,65 4.586,66 38.493,67 5.499,68 0.654,69 1.304,70 14.861,71 5.124,72 79.63,73 5.925,74 0.812,75 1.321,76 17.974,77 5.704,78 106.239,79 6.95,80 0.733,81 1.342,82 15.209,83 5.055,84 92.928,85 6.284,86 0.555,87 1.194,88 12.624,89 5.036,90 64.377,91 6.357,92 0.801,93 1.095,94 19.356,95 5.571,96 101.596,97 7.245,98 0.85,99 0.731,100 20.612,101 5.592,102 122.303,103 6.977,104 38,105 36,106 0.336,107 0.745,108 0.812,109 0.832,110 0.832,111 0.832,112 3.149,113 0.821,114 -4.64,115 -4.56,116 -4.29,119 40,120 2,127 1,142 2,143 2,144 3,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 1,174 2,175 7,177 1,178 1,180 2,183 3,185 1,186 1,187 4,192 1,195 2,198 2,199 6,201 3,202 3,204 2,207 3,209 1,212 3,217 1,220 2,222 1,224 4,227 1,229 4,232 2,234 3,240 1,245 2,253 2,254 1,257 1,268 2,275 598,276 14.276,277 14.276,278 14.276,279 14.276,280 14.276,281 12.287,282 13.656,283 8.032,284 14.674,285 11.785,286 11.785,287 11.785,288 11.785,289 11.785,290 8.763,291 10.269,292 3.754,293 12.49,294 3.286,295 1.04,296 0.672,297 0.557,298 0.557,299 0.557,300 3.818,303 1,304 1,305 1,306 336,307 2.739,310 41.497,311 113.468,314 79.55,318 1.025,319 40.256,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.5,331 160,332 4.774,333 3.442,334 7.067,335 4.321,336 3.357,337 4.741,339 12.191,340 3.235,341 4.327,342 3.227,343 6.385,344 3.888,345 2.937,346 4.031,348 9.673,349 2.782,350 3.819,351 2.859,352 5.974,353 3.483,354 2.535,355 3.221,357 8.165,358 2.399,359 3.731,360 2.634,361 5.74,362 3.321,363 2.384,364 3.145,366 7.422,367 2.222,368 3.247,369 2.183,370 4.992,371 2.78,372 1.86,373 2.541,375 5.349,376 1.694,377 3.022,378 1.837,379 4.812,380 2.675,381 1.737,382 2.152,384 4.814,385 1.623,386 2.911,387 1.77,388 4.35,389 2.411,390 1.471,391 2.081,393 4.009,394 1.375,395 2.554,396 1.312,397 3.884,398 2.041,399 1.112,400 1.576,402 2.817,403 1.029,404 2.146,405 0.972,406 3.535,407 1.814,408 0.854,409 1.063,411 2.149,412 0.815,413 1.62,414 0.781,415 3.104,416 1.241,417 0.373,418 0.445,420 0.918,421 0.316,422 1.058,423 0.096,424 2.649,425 0.618,426 -0.293,427 -0.373,428 -0.684,429 -0.266,430 0.854,431 -0.125,432 2.443,433 0.422,434 -0.495,435 -0.612,436 -1.239,437 -0.436,438 0.661,439 -0.261,440 2.315,441 0.212,442 -0.678,443 -0.831,445 -1.809,446 -0.589,447 0.39,448 -0.76,449 2.242,450 0.019,451 -0.878,452 -1,454 -2,455 -0.788,456 0.111,457 -0.94,458 1.891,460 -1,461 -1.144,463 -2.414,464 -1,465 9.905,466 0.45,467 0.775,468 0.035,469 29.75,470 1.352,471 15,472 0.682,473 14.75,474 0.67,475 16.546,476 0.752,477 24.295,478 0.694,479 22.642,480 1.029,481 5.895,482 0.268,483 4.501,484 0.205,485 0.233,487 0.495,491 2,493 0.714,494 1.045,495 0.663,496 0.995,497 0.705,498 0.856,499 0.654,500 1.036,501 0.544,502 0.95,503 0.569,504 0.764,505 0.996,506 1.205,507 0.839,508 0.983,509 0.868,510 0.866,511 0.892,512 0.959,513 0.891,514 0.878,515 0.873,516 0.875,517 0.785,518 0.94,519 1.006,520 1.023,521 0.706,522 1.063,523 0.67,524 1.13,525 0.972,526 1.388,527 0.74,528 1.342,529 1.018,530 0.958,531 1.215,532 1.128,533 1.088,534 1.215,535 1.443,536 1.036,537 1.229,538 0.926,539 1.584,540 0.994,541 5,543 3.333,544 2.354,545 1.998,546 1.073,547 0.669,548 0.414,549 0.148,550 0.016,551 4005,552 14762,553 1.991,554 37.1,556 3,558 1,559 3,561 6,564 1.655,565 1.784,566 2.873,567 1.159,569 1,571 1,573 64.507,574 1.843,575 4.089,576 4.458,577 4.572,578 4.572,579 4.572,580 2.231,581 4.096,582 4.433,583 2.974,584 687.098,585 7.664,586 7265.67,587 1,588 1,590 1,591 179.525,592 1.539,593 4.344,594 0.208,596 0.093,597 0.06,598 0.054,599 0.034,600 0.022,601 0.021,602 0.015,603 0.005,604 0.512,605 0.33,606 1,607 0.917,608 97.628,609 -0.091,610 -0.064,611 -0.002,612 0.032,613 -0.123,614 0.047,615 0.013,616 -0.096,617 0.235,618 0.049,619 0.045,620 0.184,621 -0.08,622 -0.182,623 0.024,624 -0.022,625 0.014,626 0.037,627 0.034,628 0.031,629 0.04,630 0.057,631 0.025,632 0.052,633 0.066,634 0.076,635 -0.124,636 -0.069,637 0.107,638 -0.136,639 0.157,640 -0.118,641 -0.129,642 -0.403,643 0.086,644 -0.408,645 -0.002,646 -0.012,647 -0.153,648 -0.187,649 -0.046,650 -0.218,651 -0.066,652 -0.004,653 0.077,654 0.106,655 -0.107,656 0.137,657 2.612,658 6.129,659 0.682,660 13.983,661 1.037,662 1.156,663 3.415,664 11.66,665 0.662,666 3.219,667 3.611,668 3.932,669 4.248,670 4.522,671 4.654,672 4.71,673 4.779,674 4.718,675 4.615,676 4.584,677 0.663,678 305.32,679 3.219,680 4.796,681 5.68,682 6.6,683 7.512,684 8.438,685 9.358,686 10.287,687 11.212,688 12.142,689 14.3,693 1,697 1,699 3,703 2,704 3,705 3,709 6,710 1,711 16,722 1,728 1,730 2,731 35,733 16,734 1,735 24,737 37,738 14,739 11,740 4,741 2,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,779 2,781 13,782 7,783 3,784 8,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 2,848 22,849 1,853 1,858 1,869 2,870 2.9,872 1,877 12.333,878 6.952,879 4.722,880 2.02,881 3.18,882 1.457,883 0.968,884 3.454,885 10.143,886 3.497,887 4.216,888 4.904,889 5.583,890 6.18,891 6.592,892 7,893 7.438,894 7.689,895 7.951,896 0.8,897 39,898 8.19,900 3.701,901 8.303,902 14.653,904 11.993,905 2.803,906 61.667,910 117.711,911 76.022,912 84.908,914 42.683,915 29.92,917 76.022,918 160.394,919 114.828,920 17.65,922 51.85,923 106.404,924 37.152,925 32.248,926 105.94,928 117.711,929 160.93,930 72.604,933 77.005,934 113.31,937 32.518,938 78.178,939 50.234,941 147.631,942 127.591,943 76.022,946 117.711,947 30.801,948 46.998,950 155.735,951 117.711,952 157.511,953 76.022,955 0.603,956 0.364,957 0.199,958 0.118,959 19,960 10,961 0.054,962 2,963 1,964 1.133,965 3.172,966 184.377,967 0.133,968 15,969 96.107,974 14.668,975 5.181,976 2.312,977 0.783,978 155.735,979 2.865,980 12.304,984 -2.367,985 1.562,986 75.581,987 351.244,988 32,999 36.28,1000 40.456,1001 0.359,1002 0.797,1003 0.869,1004 0.891,1005 0.891,1006 0.891,1007 4.762,1008 1.112,1009 5.72,1010 4.009,1011 4.29,1012 4.902,1014 6.621,1015 4.179,1016 6.033,1017 0.854,1018 7.345,1019 2.817,1020 4.111,1021 4.956,1023 7.7,1024 3.943,1025 7.388,1026 0.373,1027 9.069,1028 2.149,1029 5.974,1030 7.259,1032 10.852,1033 5.776,1034 8.783,1035 -0.293,1036 10.848,1037 0.918,1038 6.567,1039 8.118,1041 12.749,1042 6.319,1043 10.209,1044 -0.495,1045 12.662,1046 -0.684,1047 7.976,1048 9.946,1050 15.45,1051 7.702,1052 11.658,1053 -0.678,1054 14.499,1055 -1.239,1056 8.904,1057 11.176,1059 17.691,1060 8.587,1061 13.127,1062 -0.878,1063 16.355,1064 -1.809,1065 10.158,1066 12.822,1068 20.244,1069 9.812,1070 3.357,1071 -1,1072 18.225,1073 -2,1074 11.233,1075 14.224,1077 22.632,1078 10.848,1079 2.937,1080 12.191,1081 20.107,1082 -2.414,1083 12.435,1084 15.801,1086 25.139,1087 12.02,1088 2.535,1089 9.673,1090 21.998,1091 4.741,1092 13.575,1093 17.281,1095 27.589,1096 13.123,1097 2.384,1098 8.165,1099 23.898,1100 4.031,1101 14.765,1102 18.834,1104 30.084,1105 14.281,1106 1.86,1107 7.422,1108 25.804,1109 3.221,1110 15.935,1111 20.35,1113 32.56,1114 15.416,1115 1.737,1116 5.349,1117 27.716,1118 3.145,1119 17.126,1120 21.897,1122 35.054,1123 16.573,1124 1.471,1125 4.814,1126 29.633,1127 2.541,1128 18.311,1129 23.431,1131 37.542,1132 17.723,1133 4057,1134 7921,1135 15.145,1136 23.165,1137 37.636,1138 38.136,1139 39.687,1140 37.284,1141 37.241,1142 49.996,1144 115.015,1145 34.981,1146 5.451,1147 5.442,1148 6.595,1149 5.394,1150 5.357,1151 7.741,1153 19.769,1154 5.235,1155 13.733,1156 1.568,1157 1.589,1158 1.654,1159 1.553,1160 1.552,1161 2.083,1163 4.792,1164 1.458,1165 4.134,1166 4.18,1167 4.121,1168 3.992,1169 8.206,1170 4.017,1171 3.854,1172 3.879,1173 3.831,1174 3.728,1175 8.196,1176 3.749,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 6.464,1182 3.399,1183 3.216,1184 3.291,1185 3.146,1186 2.985,1187 5.252,1188 3.021,1189 3.012,1190 3.116,1191 2.944,1192 2.73,1193 4.864,1194 2.756,1195 2.942,1196 3.009,1197 2.875,1198 2.694,1199 4.531,1200 2.734,1201 2.874,1202 2.99,1203 2.722,1204 2.618,1205 4.279,1206 2.621,1207 2.838,1208 2.887,1209 2.499,1210 2.594,1211 4.034,1212 2.57,1213 0.199,1214 0.143,1215 0.294,1216 0.18,1217 0.14,1218 4.774,1219 0.198,1220 3.442,1222 7.067,1223 0.508,1224 4.321,1225 0.135,1226 3.357,1227 4.741,1229 12.191,1230 3.235,1231 1.916,1232 1.899,1233 1.964,1234 2.038,1235 1.151,1236 2.014,1237 1.79,1238 1.744,1239 1.936,1240 1.983,1241 1.087,1242 1.963,1243 1.607,1244 1.545,1245 1.761,1246 1.81,1247 0.815,1248 1.806,1249 1.141,1250 1.087,1251 1.417,1252 1.411,1253 0.469,1254 1.377,1255 0.934,1256 0.804,1257 1.257,1258 1.239,1259 0.253,1260 1.308,1261 0.879,1262 0.794,1263 1.153,1264 1.238,1265 0.084,1266 1.216,1267 0.829,1268 0.778,1269 1.023,1270 1.082,1271 0.03,1272 1.065,1273 0.76,1274 0.672,1275 0.988,1276 1.073,1278 1.04,1279 3.892,1281 5.263,1282 2.398,1283 6.83,1284 4.844,1285 8.491,1286 7.081,1287 10.204,1289 3.755,1291 27.726,1293 5.856,1294 9.243,1299 -0.06,1305 23.222,1306 64.507,1307 143.119,1308 156.015,1309 160.015,1310 160.015,1311 160.015,1312 54.71,1313 6.962,1314 89.85,1315 89.85,1316 17,1317 12.645,1318 4.087,1319 3.17,1320 34.079,1321 59,1322 60,1323 0.293,1324 142.755,1325 238.43,1326 340.083,1327 8013,1328 5.7,1329 16.016,1330 0.728,1331 0.54,1332 14.276,1333 11.879,1334 10.397,1335 0.433,1336 0.274,1337 6.424,1338 9.783,1339 6.264,1340 5.2,1341 9.575,1342 6.569,1343 10.024,1344 0.278,1345 0.142,1346 8.977,1347 5.128,1348 8.433,1349 0.169,1350 0.066,1351 7.459,1352 3.299,1353 7.079,1354 0.103,1355 0.033,1356 6.355,1357 2.262,1358 5.904,1359 0.065,1360 0.017,1361 5.373,1362 1.543,1363 0.431,1364 66.833,1365 0.257,1366 20.798,1367 0.901,1368 120,1369 498.265,1370 139.202,1371 430.94,1372 573.12,1373 398,1374 146,1375 422.99,1376 165.801,1377 413.327,1378 611.1,1379 388,1380 6.529}
{0 CHEMBL1242029,1 1.572,2 7.286,3 2.41,4 5.807,5 83.026,6 7.457,7 0.696,8 3.752,9 3.884,10 3.326,11 3.238,12 4.902,13 3.235,14 4.253,15 4.443,16 3.684,17 3.597,18 5.329,19 3.586,20 4.402,21 4.598,22 3.758,23 3.716,24 5.478,25 3.693,26 4.512,27 4.736,28 3.76,29 3.763,30 5.602,31 3.714,32 4.494,33 4.72,34 3.615,35 3.74,36 5.497,37 3.664,38 4.421,39 4.629,40 3.546,41 3.67,42 5.49,43 3.587,44 4.503,45 4.779,46 3.245,47 3.541,48 5.5,49 3.395,50 4.303,51 4.616,52 2.766,53 3.205,54 5.082,55 3.011,56 0.054,57 0.603,58 7.854,59 3.07,60 9.191,61 4.213,62 0.213,63 0.913,64 14.719,65 4.929,66 20.579,67 6.964,68 0.199,69 1.061,70 17.035,71 5.284,72 18.922,73 7.822,74 0.309,75 1.143,76 19.706,77 6.177,78 31.444,79 9.159,80 0.275,81 1.087,82 19.406,83 6.008,84 26.481,85 9.068,86 0.181,87 1.016,88 17.415,89 5.861,90 23.387,91 8.7,92 0.412,93 0.938,94 21.344,95 6.1,96 46.549,97 9.543,98 0.24,99 0.657,100 18.758,101 5.75,102 27.38,103 8.733,104 21,105 33,106 0.281,107 0.662,108 0.788,109 0.825,110 0.825,111 0.825,112 3.105,113 0.88,114 -4.38,115 -4.31,116 -4.06,119 39.5,120 2,124 1,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 9,177 1,178 1,180 1,183 6,185 1,186 1,187 7,195 4,198 2,199 8,201 3,202 3,204 1,207 3,209 1,211 1,212 7,217 2,220 3,222 2,223 1,224 5,229 3,232 4,234 3,236 2,237 2,239 1,240 1,242 1,245 2,247 1,250 2,258 2,275 538,276 14.146,277 14.146,278 14.146,279 14.146,280 14.146,281 12.315,282 13.8,283 8.188,284 14.586,285 11.277,286 11.277,287 11.277,288 11.277,289 11.277,290 8.41,291 12.151,292 3.764,293 11.885,294 3.676,295 1.548,296 0.849,297 0.639,298 0.639,299 0.639,300 3.781,303 1,304 1,305 1,306 323,307 2.739,310 39.203,311 107.011,314 75.153,318 1.061,319 16.049,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 153,332 4.759,333 3.375,334 7.039,335 4.3,336 3.336,337 4.731,338 0.86,339 12.085,340 3.215,341 4.094,342 2.894,343 6.158,344 3.687,345 2.72,346 3.71,348 8.894,349 2.626,350 3.797,351 2.659,352 5.793,353 3.449,354 2.498,355 3.202,357 7.753,358 2.372,359 3.551,360 2.395,361 5.257,362 3.145,363 2.207,364 2.913,366 6.515,367 2.063,368 3.028,369 1.823,370 4.818,371 2.683,372 1.742,373 2.222,375 4.817,376 1.635,377 2.977,378 1.602,379 4.408,380 2.465,381 1.525,382 2.126,384 4.02,385 1.429,386 2.695,387 1.27,388 3.859,389 2.193,390 1.225,391 1.784,393 2.807,394 1.183,395 2.457,396 1,397 3.521,398 1.964,399 1,400 1.438,402 2.528,403 0.962,404 2.112,405 0.935,406 3.446,407 1.739,408 0.779,409 1.008,411 1.979,412 0.746,413 1.583,414 0.811,415 2.717,416 1.293,417 0.427,418 0.48,420 0.621,421 0.366,422 1.062,423 -0.151,424 2.582,425 0.631,426 -0.286,427 -0.363,428 -0.667,429 -0.261,430 0.834,431 -0.38,432 2.416,433 0.392,434 -0.577,435 -0.782,436 -1.358,437 -0.557,438 0.606,439 -0.624,440 2.252,441 0.158,442 -0.786,443 -1,445 -2,446 -0.728,447 0.556,448 -0.814,449 2,450 0.063,451 -0.881,452 -1.02,454 -2.003,455 -0.828,456 0.157,457 -1,458 1.672,460 -1,461 -1.162,463 -2.467,464 -1,465 9.833,466 0.468,467 0.559,468 0.027,469 29,470 1.381,471 15,472 0.714,473 14,474 0.667,475 15.288,476 0.728,477 22.567,478 0.594,479 19.867,480 0.946,481 5.702,482 0.272,483 4.412,484 0.21,485 0.193,487 0.397,493 0.894,494 1.345,495 0.786,496 1.13,497 1.083,498 0.967,499 1.082,500 1.023,501 0.727,502 0.821,503 0.749,504 0.743,505 1.161,506 1.229,507 0.903,508 0.961,509 0.888,510 0.896,511 0.895,512 0.988,513 0.932,514 0.958,515 0.937,516 0.946,517 1.045,518 1.073,519 1.118,520 1.033,521 0.965,522 1.067,523 0.91,524 1.373,525 1.178,526 1.369,527 1.15,528 1.319,529 0.939,530 0.885,531 1.212,532 1.062,533 1.378,534 1.15,535 1.031,536 0.801,537 0.948,538 0.956,539 0.766,540 0.955,541 4,543 2.444,544 1.979,545 1.656,546 0.778,547 0.478,548 0.299,549 0.123,550 0.016,551 3674,552 9693,553 2.045,554 44.7,556 8,558 1,559 2,561 6,564 1.641,565 1.881,566 2.883,567 0.378,568 1,569 1,571 1,573 59.721,574 1.572,575 3.7,576 4.399,577 4.609,578 4.609,579 4.609,580 2.244,581 4.107,582 4.363,583 2.983,584 626.432,585 7.521,586 6445.86,587 1,588 1,590 1,591 199.421,592 1.51,593 4.305,594 0.174,596 0.074,597 0.057,598 0.049,599 0.027,600 0.018,601 0.018,602 0.012,603 0.005,604 0.434,605 0.5,606 1,607 0.988,608 92.018,609 0.006,610 -0.124,611 0.061,612 -0.074,613 -0.165,614 -0.009,615 0.035,616 0.071,617 0.21,618 0.178,619 0.141,620 0.207,621 -0.13,622 -0.117,623 0.025,624 0.012,625 -0.009,626 0.038,627 0.06,628 0.089,629 0.014,630 -0.004,631 0.07,632 -0.007,633 -0.134,634 -0.015,635 -0.181,636 -0.065,637 -0.084,638 -0.115,639 -0.049,640 -0.31,641 -0.266,642 -0.374,643 -0.114,644 -0.356,645 0.055,646 0.045,647 -0.209,648 -0.133,649 -0.159,650 -0.193,651 -0.011,652 -0.055,653 0.11,654 0.022,655 0.13,656 0.076,657 1.232,658 2.043,659 0.714,660 13.732,661 1.004,662 1.137,663 3.147,664 9.902,665 0.659,666 3.178,667 3.526,668 3.85,669 4.174,670 4.431,671 4.543,672 4.615,673 4.673,674 4.595,675 4.511,676 4.573,677 0.631,678 283.37,679 3.178,680 4.727,681 5.602,682 6.509,683 7.412,684 8.329,685 9.242,686 10.163,687 11.081,688 12.005,689 13.2,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,729 1,731 38,733 16,734 1,735 23,737 40,738 15,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 4,777 1,778 1,781 17,782 5,783 2,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 21,849 1,856 1,858 1,870 2.6,875 1,877 11.167,878 7.8,879 4.667,880 2.204,881 3.149,882 1.459,883 0.979,884 3.516,885 10.011,886 3.466,887 4.139,888 4.835,889 5.522,890 6.105,891 6.498,892 6.929,893 7.349,894 7.57,895 7.836,896 0.8,897 35,898 7.693,900 3.2,901 7.683,902 14.644,904 11.721,905 2.183,906 45.833,910 176.567,911 92.859,912 84.908,914 11,917 92.859,918 187.566,919 84.908,920 28.533,922 70.802,923 63.72,924 35.154,925 2.328,926 164.795,928 176.567,929 177.767,930 11,933 105.94,934 81.626,937 32.518,938 95.015,939 50.234,941 176.567,942 95.908,943 92.859,946 176.567,947 17.802,948 76.834,950 94.131,951 176.567,952 95.908,953 92.859,955 0.583,956 0.355,957 0.202,958 0.118,959 17,960 8,961 0.075,962 3,963 1,964 1.133,965 3.178,966 169.479,967 0.133,968 15,969 90.239,974 13.835,975 5.337,976 2.339,977 1.523,978 94.131,979 9.188,980 13.095,984 2.913,985 1.863,986 32.897,987 365.333,988 31,999 38.138,1000 43.192,1001 0.299,1002 0.705,1003 0.838,1004 0.878,1005 0.878,1006 0.878,1007 4.7,1008 1,1009 5.609,1010 2.807,1011 4.205,1012 4.824,1013 0.908,1014 6.485,1015 4.111,1016 5.94,1017 0.779,1018 7.209,1019 2.528,1020 3.892,1021 4.745,1023 7.532,1024 3.765,1025 7.274,1026 0.427,1027 8.912,1028 1.979,1029 5.849,1030 7.149,1031 0.739,1032 10.685,1033 5.677,1034 8.651,1035 -0.286,1036 10.676,1037 0.621,1038 6.365,1039 7.939,1041 12.59,1042 6.16,1043 10.065,1044 -0.577,1045 12.48,1046 -0.667,1047 7.82,1048 9.819,1049 0.593,1050 15.285,1051 7.58,1052 11.505,1053 -0.786,1054 14.312,1055 -1.358,1056 8.71,1057 11.02,1059 17.54,1060 8.435,1061 12.967,1062 -0.881,1063 16.165,1064 -2,1065 9.983,1066 12.692,1067 0.469,1068 20.09,1069 9.675,1070 3.336,1071 -1,1072 18.034,1073 -2.003,1074 11.042,1075 14.087,1077 22.487,1078 10.699,1079 2.72,1080 12.085,1081 19.917,1082 -2.467,1083 12.253,1084 15.679,1085 0.366,1086 24.992,1087 11.877,1088 2.498,1089 8.894,1090 21.81,1091 4.731,1092 13.388,1093 17.161,1095 27.446,1096 12.976,1097 2.207,1098 7.753,1099 23.712,1100 3.71,1101 14.583,1102 18.724,1103 0.283,1104 29.939,1105 14.136,1106 1.742,1107 6.515,1108 25.621,1109 3.202,1110 15.752,1111 20.245,1113 32.415,1114 15.269,1115 1.525,1116 4.817,1117 27.537,1118 2.913,1119 16.945,1120 21.8,1121 0.217,1122 34.905,1123 16.427,1124 1.225,1125 4.02,1126 29.458,1127 2.222,1128 18.131,1129 23.338,1131 37.39,1132 17.576,1133 3696,1134 6120,1135 15.027,1136 25.051,1137 35.147,1138 35.341,1139 36.944,1140 34.879,1141 34.92,1142 47.223,1143 1.72,1144 104.039,1145 33.197,1146 5.437,1147 5.375,1148 6.628,1149 5.372,1150 5.336,1151 7.731,1152 1.72,1153 19.548,1154 5.215,1155 11.017,1156 1.528,1157 1.537,1158 1.606,1159 1.516,1160 1.518,1161 2.053,1162 0.075,1163 4.523,1164 1.443,1165 4.132,1166 4.179,1167 4.114,1168 3.993,1169 5.257,1170 4.015,1171 3.841,1172 3.869,1173 3.784,1174 3.733,1175 4.907,1176 3.744,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.805,1182 3.399,1183 3.275,1184 3.34,1185 3.153,1186 3.02,1187 4.513,1188 3.046,1189 3.166,1190 3.254,1191 3.009,1192 2.922,1193 4.338,1194 2.931,1195 2.999,1196 3.109,1197 2.875,1198 2.694,1199 4.064,1200 2.73,1201 2.874,1202 3.009,1203 2.632,1204 2.638,1205 3.711,1206 2.625,1207 2.788,1208 2.863,1209 2.533,1210 2.618,1211 3.542,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.759,1219 0.206,1220 3.375,1221 0.037,1222 7.039,1223 0.525,1224 4.3,1225 0.14,1226 3.336,1227 4.731,1228 0.86,1229 12.085,1230 3.215,1231 1.929,1232 1.909,1233 2.011,1234 2.038,1235 1.154,1236 2.023,1237 1.796,1238 1.748,1239 1.946,1240 1.985,1241 1.114,1242 1.974,1243 1.612,1244 1.547,1245 1.777,1246 1.813,1247 0.837,1248 1.813,1249 1.216,1250 1.152,1251 1.571,1252 1.521,1253 0.574,1254 1.536,1255 1.118,1256 1.045,1257 1.417,1258 1.389,1259 0.469,1260 1.369,1261 0.934,1262 0.804,1263 1.274,1264 1.239,1265 0.298,1266 1.308,1267 0.88,1268 0.785,1269 1.167,1270 1.216,1271 0.146,1272 1.21,1273 0.79,1274 0.721,1275 1.068,1276 1.063,1277 0.04,1278 1.058,1279 3.85,1281 5.187,1282 2.398,1283 6.732,1284 4.844,1285 8.374,1286 7.081,1287 10.067,1289 5.752,1293 6.043,1297 5.276,1299 0.182,1305 23.983,1306 59.721,1307 140.592,1308 167.157,1309 175.157,1310 175.157,1311 175.157,1312 27.079,1313 6.862,1314 78.85,1315 78.85,1316 17,1317 12.512,1318 4.087,1319 3.17,1320 31.842,1321 56,1322 63,1323 0.288,1324 149.951,1325 243.59,1326 357.641,1327 7210,1329 14.983,1330 0.713,1331 0.583,1332 14.983,1333 12.239,1334 10.113,1335 0.44,1336 0.293,1337 6.626,1338 9.632,1339 6.37,1340 5.369,1341 10.113,1342 6.746,1343 9.158,1344 0.278,1345 0.154,1346 9.158,1347 5.076,1348 7.8,1349 0.17,1350 0.073,1351 7.8,1352 3.35,1353 6.733,1354 0.105,1355 0.036,1356 6.733,1357 2.328,1358 5.588,1359 0.067,1360 0.019,1361 5.588,1362 1.596,1363 0.425,1364 63.938,1365 0.258,1366 20.1,1367 0.877,1368 112,1369 325.628,1370 124.315,1371 316.829,1372 445.82,1373 298,1374 135,1375 345.838,1376 148.288,1377 350.603,1378 514.11,1379 328,1380 5.495}
{0 CHEMBL1242030,1 1.793,2 8.958,3 1.81,4 3.275,5 95.398,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.98,13 3.358,14 4.381,15 4.55,16 3.922,17 3.741,18 5.744,19 3.716,20 4.585,21 4.782,22 3.926,23 3.847,24 5.772,25 3.811,26 4.622,27 4.843,28 3.961,29 3.897,30 5.788,31 3.832,32 4.608,33 4.809,34 3.795,35 3.866,36 5.772,37 3.791,38 4.549,39 4.764,40 3.634,41 3.768,42 5.678,43 3.666,44 4.538,45 4.819,46 3.39,47 3.617,48 5.491,49 3.451,50 4.335,51 4.637,52 3.344,53 3.359,54 5.329,55 3.171,56 0.14,57 0.713,58 10.59,59 3.7,60 19.007,61 4.451,62 0.421,63 1.07,64 19.292,65 6.31,66 58.827,67 7.927,68 0.478,69 1.225,70 20.647,71 6.335,72 58.462,73 8.392,74 0.419,75 1.285,76 23.768,77 7.705,78 41.776,79 10.288,80 0.403,81 1.212,82 22.26,83 7.315,84 49.205,85 9.616,86 0.346,87 1.116,88 19.432,89 7.012,90 46.261,91 9.706,92 0.404,93 1.005,94 23.297,95 6.822,96 49.747,97 10.139,98 0.394,99 0.754,100 21.8,101 6.695,102 44.817,103 9.563,104 42,105 39,106 0.312,107 0.674,108 0.779,109 0.795,110 0.795,111 0.795,112 3.229,113 1.064,114 -3.53,115 -3.5,116 -3.34,119 35.7,120 2,124 1,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 7,177 1,178 3,180 3,183 6,185 1,186 1,187 5,192 2,195 4,198 2,199 12,201 3,202 3,204 2,207 4,209 1,212 10,217 2,220 2,222 2,224 8,227 1,229 5,232 4,234 4,240 1,245 4,249 2,250 2,253 2,254 1,257 1,262 2,268 2,275 800,276 15.378,277 15.378,278 15.378,279 15.378,280 15.378,281 13.171,282 14.36,283 8.745,284 15.749,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.396,291 10.975,292 4.141,293 13.462,294 3.599,295 1.514,296 0.911,297 0.816,298 0.816,299 0.816,300 3.901,303 1,304 1,305 1,306 451,307 3.674,310 50.939,311 134.038,314 96.483,318 1.469,319 29.187,321 1,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 53,331 215,332 4.758,333 4.311,334 7.038,335 4.298,336 3.335,337 4.73,339 12.08,340 3.214,341 4.643,342 3.373,343 6.455,344 4.073,345 3.138,346 4.441,348 10.195,349 2.916,350 4.045,351 2.751,352 6.146,353 3.635,354 2.664,355 3.657,357 8.812,358 2.583,359 3.795,360 2.602,361 5.762,362 3.434,363 2.478,364 3.202,366 7.619,367 2.365,368 3.578,369 2.336,370 5.207,371 3.153,372 2.191,373 2.964,375 6.531,376 2.102,377 3.03,378 1.821,379 4.819,380 2.683,381 1.742,382 2.237,384 4.818,385 1.636,386 2.979,387 1.539,388 4.454,389 2.453,390 1.511,391 2.125,393 4.132,394 1.418,395 2.525,396 1.088,397 3.861,398 2.011,399 1.066,400 1.535,402 2.764,403 1.005,404 2.5,405 1,406 3.492,407 2,408 1,409 1.5,411 2.275,412 1,413 2.128,414 0.871,415 3.414,416 1.78,417 0.817,418 1.034,420 2.058,421 0.785,422 1.328,423 0.734,424 3.128,425 0.988,426 0.031,427 0.038,428 0.084,429 0.029,430 1.057,431 0.055,432 2.588,433 0.616,434 -0.297,435 -0.38,436 -0.698,437 -0.271,438 1,439 -0.171,440 2.415,441 0.284,442 -0.685,443 -0.879,445 -2,446 -0.653,447 0.711,448 -0.683,449 2.252,450 0.062,451 -0.881,452 -1,454 -2.025,455 -0.777,456 0.534,457 -0.824,458 2,460 -1,461 -1.142,463 -2.454,464 -0.84,465 11.4,466 0.475,467 0.912,468 0.038,469 33.75,470 1.406,471 18,472 0.75,473 15.75,474 0.656,475 18.246,476 0.76,477 26.4,478 0.629,479 24.922,480 1.038,481 6.281,482 0.262,483 4.979,484 0.207,485 0.225,486 0.073,487 0.342,493 0.617,494 1.42,495 0.822,496 1.277,497 0.781,498 0.959,499 0.588,500 1.179,501 0.959,502 1.101,503 0.467,504 0.865,505 1.376,506 1.075,507 0.87,508 0.745,509 1.241,510 0.882,511 0.725,512 0.946,513 0.863,514 0.911,515 0.528,516 0.903,517 1.155,518 1.102,519 1.08,520 1.046,521 0.966,522 1.144,523 0.916,524 1.201,525 0.916,526 1.071,527 0.887,528 1.277,529 0.717,530 0.903,531 0.901,532 0.929,533 0.635,534 1.12,535 0.302,536 0.762,537 0.617,538 0.863,539 0.422,540 0.87,541 6.5,542 0.161,543 2.889,544 2.354,545 1.976,546 0.973,547 0.549,548 0.395,549 0.244,550 0.3,551 5675,552 18658,553 1.982,554 42.9,556 8,558 1,559 3,561 6,564 1.671,565 1.789,566 3.103,567 1.121,568 1,569 1,571 1,573 75.306,574 1.793,575 3.878,576 4.481,577 4.576,578 4.576,579 4.576,580 2.527,581 4.054,582 4.553,583 3.33,584 919.02,585 7.869,586 10607.1,587 1,588 1,590 1,591 226.477,592 1.75,593 4.469,594 0.25,595 0.011,596 0.074,597 0.062,598 0.051,599 0.029,600 0.02,601 0.022,602 0.015,603 0.019,604 0.553,605 0.33,606 1,607 1.181,608 112.786,609 0.078,610 -0.137,611 0.215,612 -0.083,613 -0.209,614 0.023,615 0.314,616 -0.043,617 0.032,618 -0.038,619 0.354,620 0.099,621 -0.311,622 -0.026,623 -0.088,624 0.101,625 -0.224,626 0.018,627 0.034,628 0.11,629 0.027,630 0.033,631 0.072,632 0.063,633 -0.261,634 -0.064,635 -0.256,636 -0.129,637 -0.111,638 -0.193,639 -0.134,640 -0.217,641 -0.196,642 -0.221,643 -0.12,644 -0.311,645 -0.046,646 -0.001,647 -0.041,648 -0.062,649 -0.099,650 -0.12,651 0.438,652 0.027,653 0.41,654 0.119,655 0.246,656 0.21,657 4.23,658 4.293,659 0.625,660 20.444,661 1.015,662 1.139,663 2.298,664 5.281,665 0.67,666 3.296,667 3.689,668 3.912,669 4.248,670 4.489,671 4.605,672 4.71,673 4.82,674 4.804,675 4.868,676 5.626,677 0.641,678 346.46,679 3.296,680 4.875,681 5.727,682 6.648,683 7.528,684 8.452,685 9.346,686 10.271,687 11.173,688 12.098,689 14.3,693 1,694 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,731 42,733 18,734 1,735 26,737 44,738 15,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 4,766 2,769 1,771 2,777 1,778 1,781 18,782 7,783 3,784 9,785 1,790 6,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,842 1,844 3,848 24,849 1,852 1,855 1,858 1,870 4.8,873 2,877 13.417,878 8.383,879 5.042,880 2.322,881 3.309,882 1.464,883 0.991,884 4.197,885 10.441,886 3.611,887 4.327,888 4.874,889 5.572,890 6.149,891 6.548,892 6.999,893 7.458,894 7.709,895 8.055,896 0.833,897 38,898 8.978,900 3.99,901 7.99,902 16.542,904 13.608,905 2.49,906 59.75,910 176.567,911 92.487,912 101.313,914 44.313,916 5.807,917 86.68,918 220.879,919 101.313,920 24.841,922 76.61,923 124.438,924 21.667,925 2.328,926 164.795,928 176.567,929 187.992,930 44.313,931 5.807,933 105.94,934 114.94,937 32.518,938 88.836,939 72.447,941 176.567,942 145.626,943 92.487,945 5.807,946 176.567,947 15.315,948 73.141,949 16.405,950 127.444,951 176.567,952 145.626,953 92.487,955 0.602,956 0.323,957 0.183,958 0.106,959 20,960 10,961 0.091,962 4,963 1,964 1.133,965 3.432,966 199.87,967 0.133,968 15,969 102.039,973 1,974 16.681,975 6.039,976 3.377,977 1.362,978 143.849,979 8.34,980 12.967,984 2.32,985 1.797,986 49.302,987 414.679,988 36,991 -3.313,993 22.587,999 42.643,1000 47.82,1001 0.333,1002 0.719,1003 0.831,1004 0.849,1005 0.849,1006 0.849,1007 4.875,1008 1.066,1009 5.79,1010 4.132,1011 4.369,1012 5.014,1014 6.681,1015 4.278,1016 6.163,1017 1,1018 7.405,1019 2.764,1020 4.29,1021 5.231,1023 7.892,1024 4.133,1025 7.543,1026 0.817,1027 9.125,1028 2.275,1029 6.094,1030 7.426,1032 10.918,1033 5.909,1034 8.961,1035 0.031,1036 10.903,1037 2.058,1038 6.746,1039 8.399,1041 12.879,1042 6.496,1043 10.409,1044 -0.297,1045 12.717,1046 0.084,1047 8.131,1048 10.165,1050 15.512,1051 7.85,1052 11.879,1053 -0.685,1054 14.554,1055 -0.698,1056 9.083,1057 11.453,1059 17.769,1060 8.742,1061 13.364,1062 -0.881,1063 16.409,1064 -2,1065 10.325,1066 13.068,1068 20.281,1069 9.949,1070 3.335,1071 -1,1072 18.277,1073 -2.025,1074 11.406,1075 14.493,1077 22.663,1078 10.977,1079 3.138,1080 12.08,1081 20.156,1082 -2.454,1083 12.601,1084 16.053,1086 25.142,1087 12.133,1088 2.664,1089 10.195,1090 22.043,1091 4.73,1092 13.738,1093 17.538,1095 27.577,1096 13.222,1097 2.478,1098 8.812,1099 23.937,1100 4.441,1101 14.919,1102 19.079,1104 30.05,1105 14.365,1106 2.191,1107 7.619,1108 25.838,1109 3.657,1110 16.081,1111 20.591,1113 32.51,1114 15.484,1115 1.742,1116 6.531,1117 27.744,1118 3.202,1119 17.262,1120 22.128,1122 34.985,1123 16.625,1124 1.511,1125 4.818,1126 29.655,1127 2.964,1128 18.436,1129 23.653,1131 37.457,1132 17.76,1133 5704,1134 10491,1135 16.414,1136 28.159,1137 40.27,1138 41.34,1139 41.554,1140 40.035,1141 39.949,1142 54.93,1144 122.737,1145 38.106,1146 5.511,1147 6.311,1148 6.566,1149 5.371,1150 5.335,1151 7.73,1153 19.531,1154 5.214,1155 15.177,1156 1.549,1157 1.59,1158 1.598,1159 1.54,1160 1.536,1161 2.113,1163 4.721,1164 1.466,1165 4.139,1166 4.183,1167 4.716,1168 4.022,1169 7.718,1170 4.023,1171 3.981,1172 3.97,1173 4.111,1174 3.909,1175 6.999,1176 3.825,1177 3.759,1178 3.757,1179 3.755,1180 3.692,1181 5.256,1182 3.642,1183 3.576,1184 3.653,1185 3.445,1186 3.405,1187 4.883,1188 3.398,1189 3.197,1190 3.281,1191 3.113,1192 2.979,1193 4.706,1194 3.005,1195 3.003,1196 3.113,1197 2.883,1198 2.735,1199 4.479,1200 2.734,1201 2.874,1202 3.009,1203 2.687,1204 2.695,1205 4.084,1206 2.715,1207 2.854,1208 2.93,1209 2.682,1210 2.618,1211 3.831,1212 2.614,1213 0.183,1214 0.166,1215 0.271,1216 0.165,1217 0.128,1218 4.758,1219 0.182,1220 4.311,1222 7.038,1223 0.465,1224 4.298,1225 0.124,1226 3.335,1227 4.73,1229 12.08,1230 3.214,1231 1.949,1232 1.932,1233 2.017,1234 2.047,1235 1.162,1236 2.055,1237 1.81,1238 1.778,1239 1.946,1240 2.003,1241 1.134,1242 1.99,1243 1.679,1244 1.687,1245 1.777,1246 1.85,1247 0.957,1248 1.884,1249 1.589,1250 1.537,1251 1.605,1252 1.752,1253 0.823,1254 1.787,1255 1.139,1256 1.076,1257 1.417,1258 1.4,1259 0.469,1260 1.375,1261 0.934,1262 0.821,1263 1.272,1264 1.239,1265 0.314,1266 1.308,1267 0.886,1268 0.804,1269 1.181,1270 1.231,1271 0.218,1272 1.227,1273 0.885,1274 0.786,1275 1.165,1276 1.095,1277 0.069,1278 1.107,1279 3.97,1281 5.342,1282 2.398,1283 6.891,1284 4.844,1285 8.522,1286 7.081,1287 10.201,1289 5.123,1293 6.025,1296 2.429,1299 0.113,1305 26.906,1306 75.306,1307 162.894,1308 188.213,1309 192.213,1310 192.213,1311 192.213,1312 46.66,1313 7.132,1314 115.79,1315 124.17,1316 17,1317 12.608,1318 4.248,1319 3.459,1320 39.234,1321 79,1322 78,1323 0.248,1324 171.873,1325 281.89,1326 411.13,1327 10402,1329 17.483,1330 0.728,1331 0.599,1332 17.733,1333 14.372,1334 11.26,1335 0.433,1336 0.355,1337 7.374,1338 10.018,1339 6.928,1340 5.821,1341 12.187,1342 9.221,1343 11.502,1344 0.295,1345 0.193,1346 12.885,1347 7.544,1348 8.191,1349 0.167,1350 0.083,1351 8.642,1352 4.075,1353 7.327,1354 0.106,1355 0.044,1356 7.863,1357 3.032,1358 5.978,1359 0.068,1360 0.023,1361 6.343,1362 1.991,1363 0.38,1364 80.35,1365 0.247,1366 23.07,1367 0.705,1368 130,1369 410.557,1370 175.663,1371 421.408,1372 572.92,1373 386,1374 153,1375 411.368,1376 206.349,1377 447.831,1378 645.61,1379 416,1380 4.863}
{0 CHEMBL1242031,1 1.829,2 7.435,3 1.254,4 1.573,5 89.905,6 8.524,7 0.64,8 3.795,9 3.913,10 3.637,11 3.335,12 4.954,13 3.31,14 4.304,15 4.462,16 3.918,17 3.705,18 5.759,19 3.682,20 4.503,21 4.683,22 3.947,23 3.823,24 5.752,25 3.79,26 4.6,27 4.809,28 3.945,29 3.842,30 5.845,31 3.796,32 4.536,33 4.74,34 3.826,35 3.8,36 5.698,37 3.738,38 4.482,39 4.673,40 3.809,41 3.751,42 5.751,43 3.67,44 4.556,45 4.806,46 3.701,47 3.652,48 5.687,49 3.53,50 4.408,51 4.686,52 3.488,53 3.406,54 5.749,55 3.229,56 0.152,57 0.674,58 9.508,59 3.395,60 23.726,61 3.878,62 0.411,63 1.008,64 15.731,65 5.769,66 72.8,67 7.048,68 0.386,69 1.174,70 19.527,71 6.561,72 42,73 8.058,74 0.517,75 1.234,76 21.677,77 6.987,78 62.413,79 8.966,80 0.398,81 1.16,82 19.961,83 6.401,84 45.766,85 8.466,86 0.409,87 1.106,88 17.604,89 6.293,90 52.416,91 8.269,92 0.518,93 1.054,94 23.771,95 6.622,96 53.902,97 9.399,98 0.619,99 0.798,100 25.785,101 7.368,102 94.956,103 9.65,104 41,105 38,106 0.322,107 0.691,108 0.789,109 0.826,110 0.826,111 0.826,112 3.19,113 1.014,114 -3.27,115 -3.26,116 -3.13,119 35.9,120 2,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 4,174 3,175 7,177 3,178 3,180 1,183 6,185 1,186 1,187 9,192 2,195 4,197 2,198 2,199 11,201 3,202 3,204 3,207 3,209 3,212 8,217 3,220 3,222 3,223 2,224 7,226 1,227 1,229 4,232 4,234 4,236 2,237 2,239 1,240 1,242 1,245 2,247 1,249 4,252 4,253 4,254 1,257 2,258 2,261 1,263 4,268 2,273 2,275 684,276 14.748,277 14.748,278 14.748,279 14.748,280 14.748,281 12.616,282 12.398,283 8.326,284 15.165,285 12.324,286 12.324,287 12.324,288 12.324,289 12.324,290 8.972,291 8.856,292 3.903,293 13.002,294 3.457,295 1.366,296 0.808,297 0.603,298 0.603,299 0.603,300 3.86,304 1,305 1,306 357,307 3.536,310 44.309,311 121.852,314 84.842,318 1.112,319 32.208,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51,331 171,332 4.819,333 4.662,334 7.124,335 4.316,336 3.364,337 4.744,339 12.105,340 3.22,341 4.74,342 3.37,343 7.03,344 4.212,345 3.286,346 4.649,348 11.669,349 2.997,350 3.97,351 2.71,352 6.145,353 3.584,354 2.618,355 3.526,357 8.807,358 2.528,359 3.783,360 2.509,361 5.758,362 3.401,363 2.442,364 3.196,366 7.601,367 2.338,368 3.303,369 1.857,370 4.826,371 2.784,372 1.812,373 2.657,375 5.109,376 1.758,377 3.022,378 1.777,379 4.748,380 2.675,381 1.734,382 2.149,384 4.813,385 1.628,386 2.867,387 1.412,388 4.304,389 2.328,390 1.375,391 2.025,393 3.7,394 1.306,395 2.626,396 1.186,397 3.855,398 2.114,399 1.126,400 1.674,402 2.755,403 1.11,404 2.457,405 1,406 3.515,407 1.964,408 1,409 1.437,411 2.491,412 0.962,413 2.111,414 0.814,415 3.446,416 1.736,417 0.777,418 1.006,420 1.976,421 0.744,422 1.062,423 0.132,424 2.751,425 0.631,426 -0.286,427 -0.363,428 -0.667,429 -0.261,430 1,431 -0.151,432 2.589,433 0.404,434 -0.567,435 -0.777,436 -1.465,437 -0.547,438 0.862,439 -0.603,440 2.416,441 0.191,442 -0.765,443 -1,445 -2,446 -0.712,447 0.691,448 -0.812,449 2.252,450 0.064,451 -0.88,452 -1.02,454 -2.192,455 -0.827,456 0.561,457 -1,458 2,460 -1,461 -1.16,463 -2.512,464 -1,465 10.9,466 0.474,467 0.885,468 0.038,469 32.5,470 1.413,471 17.5,472 0.761,473 15,474 0.652,475 17.367,476 0.755,477 25.1,478 0.644,479 24.337,480 1.058,481 6.052,482 0.263,483 4.735,484 0.206,485 0.226,486 0.076,487 0.358,493 0.645,494 1.311,495 0.822,496 1.214,497 0.86,498 0.893,499 0.553,500 1.062,501 0.79,502 0.946,503 0.422,504 0.809,505 1.103,506 1.208,507 0.94,508 0.977,509 0.906,510 0.932,511 1.011,512 0.931,513 0.855,514 0.829,515 0.935,516 0.906,517 1.032,518 1.13,519 0.961,520 0.992,521 0.792,522 1.072,523 0.846,524 1.244,525 0.957,526 1.122,527 0.803,528 1.256,529 0.807,530 1.015,531 0.941,532 1.053,533 0.883,534 1.136,535 0.461,536 0.698,537 0.993,538 1.021,539 0.588,540 0.939,541 6,543 3.333,544 2.354,545 1.833,546 1.07,547 0.571,548 0.6,549 0.28,550 0.047,551 4628,552 15619,553 1.981,554 41,556 5,558 1,559 4,561 6,564 1.665,565 1.781,566 2.932,567 1.951,568 1,569 1,571 1,573 71.318,574 1.829,575 3.92,576 4.477,577 4.683,578 4.683,579 4.683,580 2.235,581 4.143,582 4.498,583 3.072,584 777.326,585 7.784,586 8570.56,587 1,588 1,591 206.131,592 1.762,593 4.403,594 0.24,596 0.088,597 0.06,598 0.048,599 0.032,600 0.019,601 0.026,602 0.016,603 0.005,604 0.535,605 0.33,606 1,607 1.009,608 104.497,609 0.043,610 -0.038,611 0.205,612 -0.032,613 -0.253,614 0.064,615 0.319,616 0.061,617 0.109,618 0.07,619 0.398,620 0.139,621 -0.189,622 -0.139,623 -0.069,624 -0.02,625 -0.063,626 0.006,627 -0.085,628 0.093,629 -0.024,630 0.048,631 -0.083,632 0.022,633 -0.211,634 -0.096,635 -0.142,636 -0.093,637 -0.081,638 -0.128,639 -0.024,640 -0.199,641 -0.141,642 -0.21,643 -0.029,644 -0.314,645 0.048,646 -0.082,647 0.025,648 -0.121,649 -0.097,650 -0.148,651 0.527,652 0.133,653 0.238,654 0.067,655 0.433,656 0.133,657 4.72,658 4.563,659 0.652,660 15.577,661 1.019,662 1.139,663 2.042,664 4.169,665 0.677,666 3.258,667 3.664,668 3.932,669 4.234,670 4.5,671 4.625,672 4.727,673 4.812,674 4.796,675 4.745,676 4.89,677 0.651,678 332.43,679 3.258,680 4.844,681 5.714,682 6.637,683 7.536,684 8.462,685 9.372,686 10.299,687 11.214,688 12.141,689 15.4,693 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,731 39,733 18,734 1,735 25,737 41,738 14,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 3,766 2,769 1,771 2,777 1,778 1,781 16,782 7,783 4,784 9,785 1,790 6,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,842 1,844 2,848 23,849 2,852 1,858 1,870 5.1,873 2,877 12.917,878 7.467,879 4.833,880 2.148,881 3.354,882 1.476,883 1.005,884 3.743,885 10.403,886 3.584,887 4.314,888 4.926,889 5.592,890 6.182,891 6.595,892 7.059,893 7.483,894 7.772,895 8.08,896 0.8,897 39,898 8.692,900 4.003,901 8.076,902 15.703,904 13.05,905 2.576,906 59.25,910 141.253,911 84.091,912 116.199,914 44.313,916 5.807,917 78.283,918 185.566,919 116.199,920 17.65,922 107.901,923 108.033,924 20.461,925 2.328,926 129.482,928 141.253,929 194.483,930 44.313,931 5.807,933 70.627,934 114.94,937 32.518,938 111.731,939 56.042,941 141.253,942 160.512,943 84.091,945 5.807,946 141.253,947 14.109,948 65.951,950 158.736,951 141.253,952 160.512,953 84.091,955 0.607,956 0.347,957 0.185,958 0.109,959 20,960 10,961 0.073,962 3,963 1,964 1.133,965 3.265,966 194.063,967 0.133,968 15,969 100.042,973 1,974 15.716,975 5.477,976 2.756,977 1.191,978 158.736,979 7.625,980 12.796,984 1.412,985 1.728,986 64.189,987 385.856,988 35,991 -3.803,993 23.126,999 39.76,1000 44.405,1001 0.346,1002 0.742,1003 0.847,1004 0.886,1005 0.886,1006 0.886,1007 4.852,1008 1.126,1009 5.784,1010 3.7,1011 4.344,1012 5.001,1014 6.706,1015 4.242,1016 6.148,1017 1,1018 7.426,1019 2.755,1020 4.29,1021 5.231,1023 7.989,1024 4.114,1025 7.537,1026 0.777,1027 9.179,1028 2.491,1029 6.098,1030 7.441,1032 11.048,1033 5.877,1034 8.969,1035 -0.286,1036 10.995,1037 1.976,1038 6.804,1039 8.454,1041 13.088,1042 6.499,1043 10.433,1044 -0.567,1045 12.849,1046 -0.667,1047 8.197,1048 10.232,1050 15.746,1051 7.848,1052 11.922,1053 -0.765,1054 14.729,1055 -1.465,1056 9.2,1057 11.561,1059 18.059,1060 8.772,1061 13.429,1062 -0.88,1063 16.626,1064 -2,1065 10.458,1066 13.189,1068 20.593,1069 9.981,1070 3.364,1071 -1,1072 18.536,1073 -2.192,1074 11.579,1075 14.647,1077 23.008,1078 11.03,1079 3.286,1080 12.105,1081 20.455,1082 -2.512,1083 12.794,1084 16.222,1086 25.503,1087 12.192,1088 2.618,1089 11.669,1090 22.381,1091 4.744,1092 13.962,1093 17.733,1095 27.957,1096 13.296,1097 2.442,1098 8.807,1099 24.313,1100 4.649,1101 15.164,1102 19.289,1104 30.44,1105 14.444,1106 1.812,1107 7.601,1108 26.25,1109 3.526,1110 16.351,1111 20.821,1113 32.909,1114 15.572,1115 1.734,1116 5.109,1117 28.19,1118 3.196,1119 17.551,1120 22.372,1122 35.39,1123 16.718,1124 1.375,1125 4.813,1126 30.133,1127 2.657,1128 18.747,1129 23.913,1131 37.865,1132 17.859,1133 4682,1134 8756,1135 15.72,1136 26.398,1137 39.394,1138 39.594,1139 40.704,1140 39.108,1141 39.065,1142 54.128,1144 122.053,1145 37.178,1146 5.511,1147 6.662,1148 6.665,1149 5.389,1150 5.364,1151 7.744,1153 19.598,1154 5.22,1155 14.315,1156 1.576,1157 1.584,1158 1.628,1159 1.564,1160 1.563,1161 2.165,1163 4.882,1164 1.487,1165 4.153,1166 4.188,1167 4.729,1168 4.084,1169 7.726,1170 4.048,1171 3.998,1172 3.986,1173 4.101,1174 3.897,1175 6.999,1176 3.866,1177 3.613,1178 3.657,1179 3.66,1180 3.522,1181 5.255,1182 3.458,1183 3.571,1184 3.603,1185 3.445,1186 3.401,1187 4.882,1188 3.393,1189 3.184,1190 3.271,1191 3.089,1192 2.963,1193 4.821,1194 2.985,1195 2.999,1196 3.108,1197 2.877,1198 2.694,1199 4.651,1200 2.73,1201 2.874,1202 3.009,1203 2.633,1204 2.618,1205 4.465,1206 2.613,1207 2.777,1208 2.854,1209 2.512,1210 2.616,1211 4.071,1212 2.57,1213 0.193,1214 0.186,1215 0.285,1216 0.173,1217 0.135,1218 4.819,1219 0.19,1220 4.662,1222 7.124,1223 0.484,1224 4.316,1225 0.129,1226 3.364,1227 4.744,1229 12.105,1230 3.22,1231 1.981,1232 1.983,1233 2.008,1234 2.051,1235 1.191,1236 2.072,1237 1.814,1238 1.777,1239 1.946,1240 2.005,1241 1.142,1242 1.99,1243 1.634,1244 1.587,1245 1.775,1246 1.831,1247 0.871,1248 1.839,1249 1.443,1250 1.45,1251 1.417,1252 1.631,1253 0.514,1254 1.667,1255 1.121,1256 1.059,1257 1.297,1258 1.389,1259 0.469,1260 1.366,1261 0.934,1262 0.804,1263 1.257,1264 1.239,1265 0.287,1266 1.308,1267 0.88,1268 0.784,1269 1.167,1270 1.215,1271 0.046,1272 1.208,1273 0.763,1274 0.679,1275 1.025,1276 1.063,1277 0.002,1278 1.057,1279 3.932,1281 5.313,1282 2.398,1283 6.882,1284 4.844,1285 8.537,1286 7.081,1287 10.237,1289 3.935,1293 11.181,1299 0.057,1305 25.379,1306 71.318,1307 152.87,1308 174.621,1309 182.621,1310 182.621,1311 182.621,1312 45.334,1313 7.049,1314 129.78,1315 138.16,1316 17,1317 12.647,1318 4.248,1319 3.459,1320 36.503,1321 66,1322 57,1323 0.278,1324 162.28,1325 264.59,1326 387.724,1327 9146,1329 16.776,1330 0.729,1331 0.585,1332 17.026,1333 13.449,1334 10.787,1335 0.431,1336 0.338,1337 6.928,1338 9.557,1339 6.58,1340 5.507,1341 11.681,1342 8.453,1343 10.946,1344 0.288,1345 0.184,1346 12.334,1347 6.979,1348 8.338,1349 0.167,1350 0.087,1351 9.082,1352 4.354,1353 7.044,1354 0.104,1355 0.043,1356 7.564,1357 2.937,1358 5.905,1359 0.066,1360 0.023,1361 6.388,1362 2.058,1363 0.415,1364 77.056,1365 0.252,1366 21.766,1367 0.835,1368 126,1369 401.536,1370 173.977,1371 414.388,1372 563.5,1373 378,1374 151,1375 402.621,1376 205.573,1377 442.477,1378 643.71,1379 412,1380 6}
{0 CHEMBL1242032,1 1.829,2 8.174,3 1.254,4 1.573,5 89.905,6 8.524,7 0.64,8 3.795,9 3.913,10 3.637,11 3.335,12 4.954,13 3.31,14 4.304,15 4.462,16 3.918,17 3.705,18 5.758,19 3.682,20 4.503,21 4.683,22 3.947,23 3.823,24 5.753,25 3.79,26 4.6,27 4.809,28 3.898,29 3.825,30 5.866,31 3.781,32 4.531,33 4.753,34 3.667,35 3.749,36 5.641,37 3.675,38 4.383,39 4.591,40 3.626,41 3.671,42 5.491,43 3.575,44 4.468,45 4.727,46 3.496,47 3.582,48 5.616,49 3.431,50 4.317,51 4.612,52 3.423,53 3.31,54 5.317,55 3.141,56 0.152,57 0.674,58 9.508,59 3.395,60 23.726,61 3.878,62 0.411,63 1.008,64 15.731,65 5.769,66 72.763,67 7.048,68 0.386,69 1.174,70 19.527,71 6.561,72 42.149,73 8.058,74 0.516,75 1.223,76 22.125,77 6.969,78 59.751,79 8.971,80 0.446,81 1.106,82 19.086,83 6.153,84 55.873,85 8.401,86 0.253,87 1.011,88 15.794,89 5.886,90 28.842,91 8.13,92 0.474,93 0.958,94 21.091,95 6.404,96 59.183,97 8.954,98 0.415,99 0.726,100 22.91,101 6.355,102 44.373,103 9.182,104 41,105 38,106 0.322,107 0.691,108 0.771,109 0.789,110 0.789,111 0.789,112 3.189,113 1.014,114 -3.27,115 -3.26,116 -3.13,119 35.9,120 2,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 4,174 3,175 7,177 3,178 3,180 1,183 6,185 1,186 1,187 9,192 2,195 4,197 2,198 2,199 12,201 3,202 3,204 3,207 4,209 3,212 8,217 3,220 2,222 3,224 6,229 4,232 4,234 4,236 2,237 2,239 1,240 1,242 1,245 4,247 1,249 2,252 1,253 1,262 4,265 4,266 4,267 1,270 2,274 1,275 696,276 14.748,277 14.748,278 14.748,279 14.748,280 14.748,281 12.616,282 12.398,283 8.28,284 15.165,285 12.307,286 12.307,287 12.307,288 12.307,289 12.307,290 8.966,291 8.856,292 3.866,293 12.989,294 3.457,295 1.366,296 0.911,297 0.808,298 0.808,299 0.808,300 3.86,304 1,305 1,306 394,307 3.536,310 47.297,311 124.751,314 89.803,318 1.312,319 31.332,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51,331 188,332 4.807,333 4.661,334 7.112,335 4.305,336 3.348,337 4.736,339 12.082,340 3.215,341 4.749,342 3.371,343 7.036,344 4.219,345 3.297,346 4.653,348 11.655,349 2.995,350 3.975,351 2.712,352 6.144,353 3.594,354 2.626,355 3.533,357 8.799,358 2.539,359 3.783,360 2.513,361 5.754,362 3.404,363 2.445,364 3.196,366 7.577,367 2.34,368 3.318,369 1.859,370 4.823,371 2.792,372 1.818,373 2.674,375 5.102,376 1.768,377 3.022,378 1.783,379 4.728,380 2.676,381 1.735,382 2.156,384 4.815,385 1.629,386 2.901,387 1.441,388 4.377,389 2.356,390 1.404,391 2.068,393 3.876,394 1.331,395 2.5,396 1.06,397 3.858,398 2,399 1.034,400 1.5,402 2.74,403 1,404 2.498,405 1,406 3.488,407 1.987,408 1,409 1.493,411 2.275,412 0.982,413 2.12,414 0.851,415 3.414,416 1.758,417 0.798,418 1.021,420 2.026,421 0.764,422 1.071,423 0.245,424 2.843,425 0.656,426 -0.27,427 -0.342,428 -0.637,429 -0.249,430 1,431 -0.163,432 2.481,433 0.516,434 -0.431,435 -0.578,436 -1.086,437 -0.404,438 0.986,439 -0.698,440 2.391,441 0.101,442 -0.83,443 -1,445 -2,446 -0.767,447 0.617,448 -0.846,449 2.249,451 -1,452 -1.126,454 -2.316,455 -1,456 0.5,457 -1,458 2,460 -1,461 -1.211,463 -3,464 -1,465 10.9,466 0.474,467 0.885,468 0.038,469 32.5,470 1.413,471 17.5,472 0.761,473 15,474 0.652,475 17.155,476 0.746,477 25.1,478 0.644,479 24.049,480 1.046,481 6.052,482 0.263,483 4.735,484 0.206,485 0.226,486 0.076,487 0.358,493 0.645,494 1.311,495 0.822,496 1.214,497 0.86,498 0.893,499 0.553,500 1.062,501 0.79,502 0.946,503 0.423,504 0.809,505 1.103,506 1.208,507 0.94,508 0.977,509 0.904,510 0.932,511 1.019,512 0.976,513 0.927,514 0.91,515 0.912,516 0.968,517 1.098,518 0.981,519 0.901,520 0.815,521 0.869,522 1.055,523 0.67,524 1.308,525 0.885,526 1.151,527 0.499,528 1.285,529 0.738,530 0.899,531 0.971,532 0.981,533 0.706,534 1.175,535 0.455,536 0.873,537 0.636,538 0.955,539 0.729,540 0.854,541 6,542 0.037,543 3.556,544 2.354,545 1.736,546 1.07,547 0.51,548 0.376,549 0.419,550 0.194,551 4868,552 16675,553 1.981,554 41,556 5,558 1,559 4,561 6,564 1.661,565 1.781,566 2.999,567 1.951,568 1,569 1,571 1,573 71.318,574 1.829,575 3.92,576 4.375,577 4.477,578 4.477,579 4.477,580 2.442,581 3.882,582 4.494,583 3.203,584 810.363,585 7.759,586 8945.7,587 1,588 1,591 206.131,592 1.762,593 4.403,594 0.24,595 0.004,596 0.094,597 0.06,598 0.047,599 0.037,600 0.02,601 0.02,602 0.026,603 0.013,604 0.56,605 0.33,606 1,607 1.009,608 105.505,609 0.043,610 -0.038,611 0.205,612 -0.032,613 -0.253,614 0.064,615 0.319,616 0.061,617 0.109,618 0.07,619 0.397,620 0.139,621 -0.189,622 -0.139,623 -0.069,624 -0.02,625 -0.061,626 0.006,627 -0.093,628 0.047,629 -0.098,630 -0.034,631 -0.061,632 -0.041,633 -0.267,634 0.005,635 -0.178,636 -0.01,637 -0.154,638 -0.12,639 -0.069,640 -0.285,641 -0.126,642 -0.253,643 -0.022,644 -0.303,645 0.035,646 0.028,647 -0.053,648 -0.073,649 -0.024,650 -0.179,651 0.39,652 -0.11,653 0.496,654 0.083,655 0.107,656 0.262,657 4.652,658 4.359,659 0.652,660 17.512,661 1.019,662 1.139,663 2.042,664 4.169,665 0.677,666 3.258,667 3.664,668 3.932,669 4.22,670 4.466,671 4.625,672 4.71,673 4.771,674 4.852,675 4.836,676 5.204,677 0.651,678 332.43,679 3.258,680 4.844,681 5.714,682 6.635,683 7.531,684 8.455,685 9.361,686 10.286,687 11.198,688 12.123,689 15.4,693 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,731 39,733 18,734 1,735 25,737 41,738 14,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 3,766 2,769 1,771 2,777 1,778 1,781 16,782 7,783 4,784 9,785 1,790 6,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,842 1,844 2,848 23,849 2,852 1,858 1,870 5.1,873 2,877 12.917,878 7.467,879 4.833,880 2.148,881 3.317,882 1.47,883 1.005,884 3.743,885 10.366,886 3.584,887 4.314,888 4.926,889 5.583,890 6.159,891 6.595,892 7.05,893 7.461,894 7.819,895 8.143,896 1,897 39,898 8.668,900 3.972,901 8.076,902 15.703,904 13.05,905 2.576,906 59.25,910 141.253,911 84.091,912 116.199,914 44.313,916 5.807,917 78.283,918 185.566,919 116.199,920 17.65,922 107.901,923 108.033,924 20.461,925 2.328,926 129.482,928 141.253,929 194.483,930 44.313,931 5.807,933 70.627,934 114.94,937 32.518,938 111.731,939 56.042,941 141.253,942 160.512,943 84.091,945 5.807,946 141.253,947 14.109,948 65.951,950 158.736,951 141.253,952 160.512,953 84.091,955 0.608,956 0.348,957 0.181,958 0.102,959 20,960 10,961 0.073,962 3,963 1,964 1.133,965 3.305,966 191.678,967 0.133,968 15,969 96.042,973 1,974 15.716,975 5.477,976 2.756,977 1.28,978 158.736,979 7.541,980 12.845,984 1.682,985 1.76,986 64.189,987 385.856,988 35,991 -3.736,993 22.717,999 39.76,1000 44.405,1001 0.346,1002 0.742,1003 0.828,1004 0.847,1005 0.847,1006 0.847,1007 4.852,1008 1.034,1009 5.784,1010 3.876,1011 4.344,1012 5.001,1014 6.703,1015 4.242,1016 6.148,1017 1,1018 7.426,1019 2.74,1020 4.29,1021 5.231,1023 7.989,1024 4.114,1025 7.537,1026 0.798,1027 9.178,1028 2.275,1029 6.098,1030 7.441,1032 11.04,1033 5.877,1034 8.969,1035 -0.27,1036 10.994,1037 2.026,1038 6.804,1039 8.454,1041 13.083,1042 6.499,1043 10.433,1044 -0.431,1045 12.847,1046 -0.637,1047 8.195,1048 10.231,1050 15.735,1051 7.846,1052 11.922,1053 -0.83,1054 14.726,1055 -1.086,1056 9.197,1057 11.559,1059 18.049,1060 8.769,1061 13.428,1062 -1,1063 16.623,1064 -2,1065 10.454,1066 13.186,1068 20.58,1069 9.976,1070 3.348,1071 -1,1072 18.532,1073 -2.316,1074 11.573,1075 14.643,1077 22.994,1078 11.024,1079 3.297,1080 12.082,1081 20.451,1082 -3,1083 12.786,1084 16.218,1086 25.487,1087 12.184,1088 2.626,1089 11.655,1090 22.377,1091 4.736,1092 13.952,1093 17.727,1095 27.939,1096 13.286,1097 2.445,1098 8.799,1099 24.308,1100 4.653,1101 15.153,1102 19.283,1104 30.42,1105 14.432,1106 1.818,1107 7.577,1108 26.244,1109 3.533,1110 16.338,1111 20.814,1113 32.888,1114 15.558,1115 1.735,1116 5.102,1117 28.183,1118 3.196,1119 17.536,1120 22.364,1122 35.366,1123 16.703,1124 1.404,1125 4.815,1126 30.126,1127 2.674,1128 18.73,1129 23.904,1131 37.841,1132 17.842,1133 4906,1134 9234,1135 15.72,1136 26.398,1137 39.348,1138 39.693,1139 40.67,1140 39.06,1141 39.011,1142 54.061,1144 121.896,1145 37.129,1146 5.495,1147 6.661,1148 6.64,1149 5.377,1150 5.348,1151 7.736,1153 19.539,1154 5.215,1155 14.536,1156 1.574,1157 1.588,1158 1.627,1159 1.562,1160 1.56,1161 2.162,1163 4.876,1164 1.485,1165 4.15,1166 4.187,1167 4.728,1168 4.08,1169 7.726,1170 4.044,1171 4.003,1172 3.99,1173 4.104,1174 3.905,1175 6.999,1176 3.872,1177 3.612,1178 3.658,1179 3.659,1180 3.52,1181 5.256,1182 3.46,1183 3.57,1184 3.601,1185 3.445,1186 3.399,1187 4.883,1188 3.391,1189 3.163,1190 3.253,1191 3.071,1192 2.915,1193 4.822,1194 2.942,1195 2.99,1196 3.099,1197 2.871,1198 2.735,1199 4.648,1200 2.718,1201 2.874,1202 3.009,1203 2.687,1204 2.68,1205 4.46,1206 2.715,1207 2.854,1208 2.925,1209 2.502,1210 2.618,1211 4.065,1212 2.57,1213 0.192,1214 0.186,1215 0.284,1216 0.172,1217 0.134,1218 4.807,1219 0.189,1220 4.661,1222 7.112,1223 0.483,1224 4.305,1225 0.129,1226 3.348,1227 4.736,1229 12.082,1230 3.215,1231 1.979,1232 1.981,1233 2.008,1234 2.05,1235 1.188,1236 2.072,1237 1.816,1238 1.78,1239 1.946,1240 2.005,1241 1.142,1242 1.99,1243 1.64,1244 1.596,1245 1.774,1246 1.835,1247 0.879,1248 1.843,1249 1.442,1250 1.443,1251 1.417,1252 1.631,1253 0.517,1254 1.664,1255 1.065,1256 0.999,1257 1.306,1258 1.374,1259 0.469,1260 1.348,1261 0.934,1262 0.821,1263 1.213,1264 1.239,1265 0.218,1266 1.308,1267 0.886,1268 0.804,1269 1.181,1270 1.189,1271 0.141,1272 1.174,1273 0.837,1274 0.751,1275 1.1,1276 1.062,1277 0.03,1278 1.107,1279 3.932,1281 5.313,1282 2.398,1283 6.882,1284 4.844,1285 8.535,1286 7.081,1287 10.232,1289 3.969,1293 11.103,1299 0.087,1305 25.379,1306 71.318,1307 152.87,1308 170.621,1309 174.621,1310 174.621,1311 174.621,1312 44.308,1313 7.049,1314 129.78,1315 138.16,1316 17,1317 12.631,1318 4.248,1319 3.459,1320 36.7,1321 70,1322 66,1323 0.263,1324 162.28,1325 264.59,1326 387.724,1327 9146,1329 16.776,1330 0.729,1331 0.585,1332 17.026,1333 13.449,1334 10.787,1335 0.431,1336 0.338,1337 6.928,1338 9.557,1339 6.58,1340 5.506,1341 11.681,1342 8.453,1343 10.935,1344 0.288,1345 0.184,1346 12.322,1347 6.975,1348 8.395,1349 0.168,1350 0.088,1351 9.152,1352 4.393,1353 7.054,1354 0.105,1355 0.043,1356 7.571,1357 2.875,1358 5.659,1359 0.066,1360 0.022,1361 6.016,1362 1.933,1363 0.398,1364 77.056,1365 0.252,1366 22.015,1367 0.767,1368 126,1369 401.536,1370 173.977,1371 414.323,1372 563.48,1373 378,1374 151,1375 402.621,1376 205.573,1377 442.341,1378 643.43,1379 412,1380 5.602}
{0 CHEMBL1242033,1 1.596,2 10.452,3 3.307,4 10.938,5 118.994,6 7.492,7 0.618,8 4.131,9 4.263,10 3.701,11 3.62,12 5.277,13 3.617,14 4.656,15 4.841,16 4.122,17 4.007,18 5.809,19 3.996,20 4.886,21 5.071,22 4.163,23 4.165,24 5.98,25 4.135,26 5.021,27 5.271,28 4.211,29 4.199,30 6.115,31 4.147,32 4.932,33 5.132,34 4.092,35 4.142,36 6.101,37 4.105,38 4.867,39 5.068,40 4.101,41 4.138,42 6.015,43 4.084,44 4.928,45 5.153,46 4.012,47 4.161,48 5.971,49 4.074,50 4.965,51 5.228,52 3.944,53 4.098,54 5.963,55 3.979,56 0.078,57 0.888,58 11.437,59 4.569,60 12.384,61 6.252,62 0.41,63 1.366,64 21.823,65 7.6,66 41.359,67 10.883,68 0.443,69 1.65,70 28.109,71 8.812,72 42.568,73 12.412,74 0.489,75 1.779,76 34.427,77 10.626,78 55.499,79 16.001,80 0.561,81 1.629,82 30.475,83 8.62,84 73.807,85 12.184,86 0.424,87 1.578,88 27.713,89 9.519,90 52.612,91 13.554,92 0.363,93 1.651,94 29.949,95 10.121,96 48.639,97 14.834,98 0.504,99 1.587,100 33.1,101 11.421,102 57.183,103 16.981,104 57,105 51,106 0.26,107 0.624,108 0.727,109 0.792,110 0.792,111 0.792,112 3.472,113 0.884,114 -4.35,115 -4.28,116 -4.04,119 39.3,120 5,127 1,130 1,142 4,143 3,144 1,145 1,146 2,147 1,148 1,159 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 13,177 1,178 3,180 3,183 10,185 1,186 1,187 7,192 1,195 5,198 2,199 16,201 3,202 4,204 6,207 6,209 1,212 8,217 3,220 3,222 2,223 3,224 12,227 1,229 5,232 11,234 4,236 1,237 3,240 1,245 7,249 4,250 7,252 1,253 3,254 1,255 1,257 1,258 6,260 1,262 2,263 2,268 2,271 5,275 1536,276 20.102,277 20.102,278 20.102,279 20.102,280 20.102,281 17.581,282 20.48,283 11.459,284 20.605,285 16.803,286 16.803,287 16.803,288 16.803,289 16.803,290 12.864,291 24.571,292 5.427,293 17.607,294 4.212,295 1.976,296 1.346,297 0.943,298 0.943,299 0.943,300 4.161,304 1,305 1,306 689,307 4.301,310 61.142,311 228.335,314 116.893,315 128.123,318 1.663,319 30.952,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 67.5,331 324,332 4.765,333 3.767,334 7.04,335 4.307,336 3.342,337 4.74,338 2.186,339 12.091,340 3.228,341 4.515,342 3.378,343 6.544,344 4.083,345 3.141,346 4.45,347 0.366,348 10.366,349 2.991,350 4.156,351 3.202,352 6.441,353 4.018,354 3.045,355 3.344,357 10.131,358 2.918,359 3.878,360 3.033,361 6.127,362 3.543,363 2.582,364 3.213,366 8.727,367 2.478,368 3.765,369 2.681,370 5.737,371 3.38,372 2.42,373 3.18,375 7.534,376 2.318,377 3.587,378 2.451,379 5.298,380 3.196,381 2.236,382 2.903,384 6.618,385 2.13,386 3.282,387 2.098,388 4.82,389 2.817,390 1.837,391 2.47,393 5.173,394 1.784,395 3.081,396 1.822,397 4.763,398 2.685,399 1.743,400 2.37,402 4.819,403 1.637,404 3.017,405 1.581,406 4.5,407 2.525,408 1.581,409 2.142,411 4.277,412 1.489,413 2.871,414 1.384,415 4.079,416 2.343,417 1.379,418 2.048,420 3.418,421 1.327,422 2.536,423 1.091,424 3.858,425 2.018,426 1.066,427 1.551,428 2.756,429 1.011,430 2.358,431 1.019,432 3.496,433 1.89,434 0.917,435 1.291,436 2.236,437 0.889,438 2.12,439 0.846,440 3.41,441 1.752,442 0.792,443 1.019,445 2.006,446 0.758,447 1.382,448 0.769,449 3.07,450 0.989,451 0.052,452 0.064,454 0.141,455 0.048,456 1.061,457 0.312,458 2.723,459 0.634,460 -0.282,461 -0.353,463 -0.669,464 -0.257,465 14.467,466 0.467,467 1.121,468 0.036,469 41.25,470 1.331,471 20.5,472 0.661,473 20.75,474 0.669,475 28.682,476 0.925,477 33.533,478 0.599,479 33.432,480 1.078,481 7.752,482 0.25,483 6.885,484 0.222,485 0.224,486 0.035,487 0.373,493 0.828,494 1.382,495 0.784,496 1.138,497 0.807,498 0.976,499 0.617,500 1.075,501 0.621,502 0.887,503 0.425,504 0.772,505 1.495,506 1.227,507 1.106,508 1.018,509 1.002,510 1.011,511 0.781,512 0.924,513 0.741,514 0.859,515 0.781,516 0.794,517 1.809,518 1.025,519 1.288,520 0.946,521 2.137,522 1.015,523 0.966,524 1.126,525 0.986,526 1.102,527 1.027,528 1.061,529 0.887,530 1.127,531 1.089,532 1.165,533 0.991,534 1.157,535 0.472,536 0.974,537 0.84,538 1.084,539 0.535,540 1.044,541 8,542 0.207,543 3.778,544 2.979,545 2.3,546 1.285,547 0.872,548 0.824,549 0.482,550 0.384,551 11615,552 30691,553 2.02,554 44.6,556 5,558 2,559 3,561 15,564 1.741,565 1.833,566 3.361,567 0.908,569 1,573 89.356,574 1.596,575 3.832,576 4.462,577 4.865,578 4.865,579 4.865,580 2.75,581 4.607,582 4.926,583 3.563,584 1656.88,585 8.63,586 22948.5,588 1,590 1,591 325.212,592 1.705,593 4.848,594 0.235,595 0.009,596 0.074,597 0.057,598 0.043,599 0.027,600 0.018,601 0.019,602 0.012,603 0.012,604 0.508,605 0.17,606 1,607 1.379,608 158.88,609 -0.026,610 -0.138,611 0.053,612 -0.059,613 -0.139,614 0.001,615 0.34,616 0.039,617 0.301,618 0.138,619 0.296,620 0.202,621 -0.277,622 -0.133,623 -0.158,624 -0.026,625 -0.175,626 -0.072,627 0.11,628 0.08,629 0.24,630 0.11,631 0.154,632 0.185,633 -0.425,634 0.047,635 -0.305,636 0.004,637 -0.367,638 -0.105,639 0.02,640 -0.065,641 -0.05,642 -0.082,643 0.024,644 -0.082,645 -0.081,646 -0.083,647 -0.156,648 -0.156,649 -0.157,650 -0.166,651 0.275,652 -0.042,653 0.134,654 -0.07,655 0.186,656 -0.015,657 2.197,658 5.322,659 0.613,660 29.182,661 1.006,662 1.136,663 3.117,664 9.715,665 0.657,666 3.555,667 3.951,668 4.205,669 4.554,670 4.804,671 4.97,672 5.124,673 5.308,674 5.438,675 5.525,676 6.536,677 0.631,678 419.54,679 3.555,680 5.142,681 6.004,682 6.927,683 7.813,684 8.74,685 9.638,686 10.566,687 11.472,688 12.401,689 12.5,693 1,696 1,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 1,727 1,731 56,733 22,734 1,735 34,737 59,738 22,739 14,740 3,741 3,746 4,747 6,752 5,758 1,761 15,762 7,763 1,766 1,771 1,775 1,778 1,781 25,782 8,783 3,784 9,790 7,794 0.5,795 2,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 5,848 31,849 1,855 1,856 1,858 1,860 1,870 3.6,873 1,875 1,877 16.917,878 11.75,879 6.514,880 3.321,881 4.417,882 1.543,883 0.97,884 5.378,885 12.55,886 3.839,887 4.53,888 5.18,889 5.887,890 6.497,891 6.95,892 7.457,893 7.994,894 8.442,895 8.823,896 0.857,897 52,898 11.43,900 4.883,901 7.777,902 21.571,904 17.595,905 2.277,906 70.583,908 1,909 1,910 258.964,911 126.492,912 119.704,914 36.145,917 126.492,918 295.109,919 119.704,920 44.126,921 18.011,922 70.802,923 117.422,924 46.432,925 9.09,926 235.422,928 258.964,929 246.196,930 36.145,933 82.398,934 212.711,937 88.196,938 90.981,939 67.02,941 258.964,942 155.849,943 126.492,946 258.964,947 26.795,948 101.474,949 18.011,950 136.062,951 258.964,952 155.849,953 126.492,955 0.6,956 0.33,957 0.19,958 0.104,959 26,960 13,961 0.085,962 5,963 2,964 1.211,965 3.985,966 294.577,967 0.211,968 19,969 144.825,974 21.165,975 7.877,976 4.223,977 2.861,978 154.072,979 10.543,980 17.705,984 2.456,985 1.829,986 50.908,987 541.305,988 45.5,993 12.322,997 -0.53,999 56.32,1000 63.644,1001 0.275,1002 0.66,1003 0.768,1004 0.838,1005 0.838,1006 0.838,1007 5.113,1008 1.743,1009 6.057,1010 5.173,1011 4.635,1012 5.218,1013 2.255,1014 6.948,1015 4.547,1016 6.38,1017 1.581,1018 7.67,1019 4.819,1020 4.511,1021 5.255,1022 1.784,1023 8.115,1024 4.392,1025 7.732,1026 1.379,1027 9.386,1028 4.277,1029 6.347,1030 7.552,1031 3.49,1032 11.168,1033 6.176,1034 9.119,1035 1.066,1036 11.159,1037 3.418,1038 6.967,1039 8.384,1040 3.59,1041 13.096,1042 6.761,1043 10.536,1044 0.917,1045 12.968,1046 2.756,1047 8.367,1048 10.222,1049 4.905,1050 15.734,1051 8.117,1052 11.976,1053 0.792,1054 14.801,1055 2.236,1056 9.301,1057 11.436,1058 5.289,1059 17.966,1060 9.014,1061 13.433,1062 0.052,1063 16.652,1064 2.006,1065 10.547,1066 13.09,1067 6.387,1068 20.472,1069 10.221,1070 3.342,1071 -0.282,1072 18.515,1073 0.141,1074 11.617,1075 14.484,1076 6.93,1077 22.832,1078 11.252,1079 3.141,1080 12.091,1081 20.388,1082 -0.669,1083 12.81,1084 16.064,1085 7.902,1086 25.3,1087 12.407,1088 3.045,1089 10.366,1090 22.27,1091 4.74,1092 13.938,1093 17.54,1094 8.539,1095 27.718,1096 13.497,1097 2.582,1098 10.131,1099 24.159,1100 4.45,1101 15.115,1102 19.092,1103 9.436,1104 30.178,1105 14.637,1106 2.42,1107 8.727,1108 26.053,1109 3.344,1110 16.269,1111 20.604,1112 10.13,1113 32.624,1114 15.755,1115 2.236,1116 7.534,1117 27.953,1118 3.213,1119 17.444,1120 22.147,1121 10.981,1122 35.089,1123 16.893,1124 1.837,1125 6.618,1126 29.857,1127 3.18,1128 18.611,1129 23.674,1130 11.71,1131 37.55,1132 18.024,1133 11348,1134 18627,1135 21.789,1136 36.801,1137 53.151,1138 53.821,1139 54.363,1140 52.244,1141 52.268,1142 69.574,1143 5.105,1144 160.591,1145 50.014,1146 5.648,1147 5.767,1148 6.576,1149 5.38,1150 5.342,1151 7.74,1152 3.889,1153 19.562,1154 5.228,1155 19.546,1156 1.563,1157 1.583,1158 1.599,1159 1.537,1160 1.537,1161 2.046,1162 0.15,1163 4.723,1164 1.471,1165 4.162,1166 4.203,1167 4.142,1168 4.057,1169 7.435,1170 4.071,1171 3.999,1172 4.039,1173 3.972,1174 3.86,1175 5.258,1176 3.886,1177 3.738,1178 3.779,1179 3.631,1180 3.562,1181 4.991,1182 3.564,1183 3.578,1184 3.656,1185 3.445,1186 3.42,1187 4.85,1188 3.41,1189 3.49,1190 3.538,1191 3.41,1192 3.358,1193 4.564,1194 3.364,1195 3.286,1196 3.332,1197 3.215,1198 3.006,1199 4.526,1200 3.054,1201 3.143,1202 3.227,1203 3.036,1204 2.897,1205 4.308,1206 2.933,1207 2.995,1208 3.098,1209 2.88,1210 2.753,1211 4.084,1212 2.774,1213 0.14,1214 0.111,1215 0.207,1216 0.127,1217 0.098,1218 4.765,1219 0.139,1220 3.767,1221 0.064,1222 7.04,1223 0.356,1224 4.307,1225 0.095,1226 3.342,1227 4.74,1228 2.186,1229 12.091,1230 3.228,1231 2.048,1232 2.026,1233 2.108,1234 2.132,1235 1.249,1236 2.126,1237 1.826,1238 1.782,1239 1.949,1240 2.021,1241 1.145,1242 1.993,1243 1.697,1244 1.647,1245 1.945,1246 1.902,1247 1.118,1248 1.912,1249 1.648,1250 1.585,1251 1.806,1252 1.846,1253 0.902,1254 1.844,1255 1.46,1256 1.412,1257 1.612,1258 1.63,1259 0.65,1260 1.628,1261 1.15,1262 1.104,1263 1.417,1264 1.461,1265 0.469,1266 1.41,1267 1.049,1268 0.994,1269 1.417,1270 1.353,1271 0.469,1272 1.33,1273 0.934,1274 0.835,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.234,1281 5.609,1282 2.398,1283 7.165,1284 4.844,1285 8.808,1286 7.081,1287 10.501,1289 9.511,1293 6.185,1296 2.816,1297 5.389,1299 0.095,1301 -0.599,1305 35.321,1306 89.356,1307 214.583,1308 249.854,1309 272.418,1310 272.418,1311 272.418,1312 56.423,1313 8.133,1314 120.84,1315 120.84,1316 23,1317 12.908,1318 4.524,1319 3.644,1320 49.217,1321 122,1322 116,1323 0.201,1324 218.507,1325 364.3,1326 524.917,1327 38807,1329 22.336,1330 0.721,1331 0.586,1332 22.336,1333 18.171,1334 14.637,1335 0.43,1336 0.295,1337 9.863,1338 13.979,1339 9.431,1340 7.94,1341 14.637,1342 10.017,1343 14.751,1344 0.289,1345 0.168,1346 14.751,1347 8.562,1348 10.909,1349 0.165,1350 0.071,1351 10.909,1352 4.658,1353 10.062,1354 0.107,1355 0.036,1356 10.062,1357 3.374,1358 7.961,1359 0.066,1360 0.019,1361 7.961,1362 2.255,1363 0.31,1364 92.165,1365 0.214,1366 28.586,1367 0.568,1368 170,1369 495.342,1370 190.628,1371 482.201,1372 672.18,1373 450,1374 202,1375 521.92,1376 221.443,1377 526.673,1378 772.52,1379 493,1380 5.553}
{0 CHEMBL1242034,1 1.489,2 8.083,3 1.866,4 3.481,5 95.185,6 7.79,7 0.778,8 3.844,9 3.985,10 3.456,11 3.373,12 5.026,13 3.372,14 4.329,15 4.51,16 3.849,17 3.768,18 5.442,19 3.755,20 4.538,21 4.737,22 3.942,23 3.901,24 5.655,25 3.878,26 4.646,27 4.873,28 3.907,29 3.926,30 5.77,31 3.873,32 4.596,33 4.825,34 3.725,35 3.869,36 5.604,37 3.79,38 4.499,39 4.714,40 3.681,41 3.785,42 5.597,43 3.707,44 4.568,45 4.836,46 3.513,47 3.698,48 5.573,49 3.59,50 4.423,51 4.723,52 3.342,53 3.486,54 5.416,55 3.357,56 0.071,57 0.703,58 7.869,59 3.048,60 11.674,61 4.135,62 0.155,63 1.086,64 14.192,65 5.237,66 17.798,67 7.357,68 0.187,69 1.294,70 18.153,71 5.936,72 21.397,73 8.57,74 0.351,75 1.365,76 21.52,77 6.973,78 38.968,79 10.095,80 0.232,81 1.256,82 20.515,83 6.67,84 28.167,85 9.719,86 0.184,87 1.164,88 17.962,89 6.33,90 29.069,91 9.113,92 0.299,93 1.133,94 21.7,95 6.504,96 38.142,97 9.83,98 0.304,99 0.923,100 20.175,101 6.569,102 39.003,103 9.992,104 18,105 40,106 0.258,107 0.667,108 0.787,109 0.838,110 0.838,111 0.838,112 3.23,113 0.855,114 -3.96,115 -3.91,116 -3.71,119 41.5,120 2,127 1,142 4,143 3,144 1,145 1,146 2,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 4,174 2,175 10,177 1,178 1,180 3,183 7,185 3,186 1,187 7,192 1,195 5,197 1,198 2,199 9,201 4,202 4,204 3,207 6,209 3,212 6,217 3,220 3,222 3,223 1,224 8,226 1,227 1,229 5,232 5,234 5,236 1,237 1,239 1,240 1,245 4,249 2,250 2,252 3,253 3,254 1,255 1,257 2,260 1,261 1,263 2,268 2,271 2,273 2,275 746,276 16.137,277 16.137,278 16.137,279 16.137,280 16.137,281 13.719,282 12.649,283 9.22,284 16.478,285 13.305,286 13.305,287 13.305,288 13.305,289 13.305,290 9.613,291 10,292 4.322,293 13.856,294 3.869,295 1.51,296 0.817,297 0.525,298 0.525,299 0.525,300 3.925,303 1,304 1,305 1,306 424,307 2.739,310 42.808,311 158.248,314 82.459,315 87.827,318 1.174,319 19.693,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 194,332 4.764,333 3.377,334 7.04,335 4.306,336 3.341,337 4.74,339 12.091,340 3.227,341 4.496,342 3.058,343 6.487,344 4.008,345 3.028,346 4.44,348 10.093,349 2.964,350 3.87,351 2.681,352 6.122,353 3.532,354 2.573,355 3.328,357 8.697,358 2.467,359 3.758,360 2.446,361 5.731,362 3.357,363 2.396,364 3.184,366 7.501,367 2.3,368 3.423,369 2.052,370 5.036,371 2.955,372 1.989,373 2.819,375 5.698,376 1.918,377 3.081,378 1.821,379 4.82,380 2.685,381 1.744,382 2.37,384 4.819,385 1.637,386 3.017,387 1.581,388 4.5,389 2.525,390 1.581,391 2.142,393 4.276,394 1.489,395 2.871,396 1.382,397 4.042,398 2.344,399 1.38,400 2.05,402 3.394,403 1.327,404 2.535,405 1.071,406 3.857,407 2.017,408 1.066,409 1.551,411 2.754,412 1.011,413 2.349,414 0.943,415 3.494,416 1.882,417 0.909,418 1.284,420 2.17,421 0.883,422 2.119,423 0.829,424 3.359,425 1.748,426 0.788,427 1.018,428 1.976,429 0.755,430 1.273,431 -0.003,432 2.72,433 0.85,434 -0.105,435 -0.138,436 -0.25,437 -0.1,438 1.058,439 -0.17,440 2.431,441 0.614,442 -0.299,443 -0.385,445 -0.696,446 -0.273,447 0.935,448 -0.516,449 2.379,450 0.433,451 -0.533,452 -0.757,454 -1.325,455 -0.513,456 0.678,457 -0.733,458 2.27,459 0.207,460 -0.762,461 -1,463 -2,464 -0.729,465 11.3,466 0.471,467 0.699,468 0.029,469 35.25,470 1.469,471 19,472 0.792,473 16.25,474 0.677,475 17.344,476 0.723,477 24.7,478 0.602,479 24.977,480 1.041,481 6.743,482 0.281,483 4.816,484 0.201,485 0.159,487 0.434,493 0.992,494 1.212,495 0.769,496 0.937,497 1.231,498 0.838,499 0.778,500 1.1,501 0.663,502 0.879,503 0.593,504 0.775,505 1.153,506 1.213,507 0.883,508 0.958,509 0.85,510 0.892,511 0.974,512 0.928,513 0.979,514 0.95,515 0.965,516 0.963,517 1.23,518 1.069,519 1.161,520 1.07,521 0.994,522 1.098,523 0.961,524 1.239,525 1.126,526 1.275,527 1.017,528 1.235,529 1.143,530 0.979,531 1.138,532 1.037,533 1.396,534 1.078,535 0.449,536 0.765,537 0.761,538 0.912,539 0.412,540 0.891,541 4.5,542 0.025,543 3.333,544 2.229,545 2.02,546 0.917,547 0.485,548 0.515,549 0.25,550 0.098,551 5754,552 14981,553 2.11,554 41.5,556 5,558 2,559 4,561 6,564 1.675,565 1.946,566 3.024,567 1.819,568 1,569 1,571 1,573 61.034,574 1.489,575 3.847,576 4.54,577 4.833,578 4.833,579 4.833,580 2.418,581 4.502,582 4.56,583 3.149,584 869.246,585 7.901,586 9773.04,587 1,588 1,590 1,591 219.66,592 1.483,593 4.504,594 0.167,595 0.008,596 0.083,597 0.052,598 0.05,599 0.028,600 0.016,601 0.021,602 0.012,603 0.008,604 0.444,605 0.33,606 1,607 0.813,608 110.828,609 -0.066,610 -0.022,611 0.037,612 0.05,613 -0.268,614 0.058,615 0.147,616 0.003,617 0.211,618 0.113,619 0.155,620 0.161,621 -0.128,622 -0.127,623 0.021,625 0.004,626 0.028,627 0.084,628 0.11,629 -0.032,630 0.001,631 0.042,632 -0.028,633 -0.267,634 -0.057,635 -0.219,636 -0.096,637 -0.153,638 -0.141,639 -0.047,640 -0.219,641 -0.206,642 -0.29,643 -0.03,644 -0.276,645 -0.108,646 -0.042,647 -0.124,648 -0.081,649 -0.275,650 -0.101,651 0.457,652 0.073,653 0.308,654 0.091,655 0.526,656 0.161,657 1.249,658 2.109,659 0.792,660 16.743,661 1.003,662 1.136,663 2.727,664 7.437,665 0.679,666 3.332,667 3.714,668 4.06,669 4.394,670 4.673,671 4.804,672 4.927,673 5.094,674 5.198,675 5.215,676 5.064,677 0.653,678 319.41,679 3.332,680 4.905,681 5.796,682 6.713,683 7.625,684 8.548,685 9.467,686 10.393,687 11.315,688 12.242,689 17.1,693 2,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 2,731 41,733 21,734 1,735 27,737 44,738 17,739 14,740 3,741 3,746 4,747 6,752 2,758 1,761 14,762 3,777 1,778 1,781 17,782 6,783 4,784 7,790 7,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 24,849 2,858 1,877 12.333,878 8,879 5.139,880 2.404,881 4.327,882 1.57,883 1.038,884 3.358,885 11.913,886 3.651,887 4.379,888 5.11,889 5.813,890 6.435,891 6.87,892 7.365,893 7.893,894 8.332,895 8.681,896 1,897 43,898 8.798,900 3.795,901 7.694,902 16.736,904 13.92,905 2.194,906 52.667,910 153.024,911 93.254,912 134.591,917 93.254,918 153.024,919 134.591,920 17.65,922 103.699,923 92.277,924 35.432,925 2.328,926 129.482,928 153.024,929 227.844,933 82.398,934 70.627,937 43.709,938 117.116,939 67.02,941 153.024,942 134.591,943 93.254,946 153.024,947 20.032,948 74.998,950 132.814,951 153.024,952 134.591,953 93.254,955 0.596,956 0.363,957 0.206,958 0.118,959 22,960 10,961 0.045,962 2,963 2,964 1.211,965 3.47,966 213.151,967 0.211,968 19,969 108.039,974 14.851,975 5.427,976 2.308,977 3.216,978 132.814,979 10.83,980 17.548,984 2.759,985 1.861,986 65.794,987 380.869,988 37.5,999 41.131,1000 46.564,1001 0.278,1002 0.718,1003 0.847,1004 0.902,1005 0.902,1006 0.902,1007 4.9,1008 1.38,1009 5.814,1010 4.276,1011 4.394,1012 5.066,1014 6.706,1015 4.319,1016 6.161,1017 1.066,1018 7.425,1019 3.394,1020 4.111,1021 5.047,1023 7.763,1024 4.011,1025 7.509,1026 0.909,1027 9.137,1028 2.754,1029 6.061,1030 7.449,1032 10.919,1033 5.923,1034 8.899,1035 0.788,1036 10.909,1037 2.17,1038 6.594,1039 8.28,1041 12.812,1042 6.432,1043 10.324,1044 -0.105,1045 12.718,1046 1.976,1047 8.048,1048 10.159,1050 15.499,1051 7.852,1052 11.773,1053 -0.299,1054 14.553,1055 -0.25,1056 8.945,1057 11.382,1059 17.732,1060 8.722,1061 13.243,1062 -0.533,1063 16.407,1064 -0.696,1065 10.217,1066 13.052,1068 20.266,1069 9.961,1070 3.341,1071 -0.762,1072 18.275,1073 -1.325,1074 11.275,1075 14.454,1077 22.641,1078 10.989,1079 3.028,1080 12.091,1081 20.155,1082 -2,1083 12.482,1084 16.041,1086 25.13,1087 12.164,1088 2.573,1089 10.093,1090 22.043,1091 4.74,1092 13.611,1093 17.52,1095 27.564,1096 13.261,1097 2.396,1098 8.697,1099 23.939,1100 4.44,1101 14.799,1102 19.076,1104 30.043,1105 14.416,1106 1.989,1107 7.501,1108 25.842,1109 3.328,1110 15.959,1111 20.589,1113 32.504,1114 15.543,1115 1.744,1116 5.698,1117 27.749,1118 3.184,1119 17.144,1120 22.134,1122 34.983,1123 16.694,1124 1.581,1125 4.819,1126 29.662,1127 2.819,1128 18.32,1129 23.662,1131 37.457,1132 17.835,1133 5511,1134 9022,1135 17.918,1136 27.847,1137 42.012,1138 41.503,1139 43.791,1140 41.614,1141 41.588,1142 57.854,1144 126.937,1145 39.957,1146 5.434,1147 5.377,1148 6.585,1149 5.379,1150 5.341,1151 7.74,1153 19.56,1154 5.227,1155 12.013,1156 1.556,1157 1.537,1158 1.622,1159 1.541,1160 1.54,1161 2.143,1163 4.701,1164 1.48,1165 4.159,1166 4.201,1167 4.139,1168 4.055,1169 5.262,1170 4.068,1171 3.994,1172 4.035,1173 3.965,1174 3.859,1175 5.154,1176 3.884,1177 3.579,1178 3.656,1179 3.445,1180 3.42,1181 4.873,1182 3.41,1183 3.472,1184 3.524,1185 3.398,1186 3.35,1187 4.763,1188 3.356,1189 3.17,1190 3.259,1191 3.07,1192 2.959,1193 4.521,1194 2.981,1195 3.052,1196 3.153,1197 2.942,1198 2.823,1199 4.297,1200 2.841,1201 2.978,1202 3.084,1203 2.859,1204 2.68,1205 4.042,1206 2.717,1207 2.874,1208 3.009,1209 2.532,1210 2.618,1211 3.731,1212 2.57,1213 0.176,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.764,1219 0.176,1220 3.377,1222 7.04,1223 0.448,1224 4.306,1225 0.12,1226 3.341,1227 4.74,1229 12.091,1230 3.227,1231 2.046,1232 2.024,1233 2.109,1234 2.129,1235 1.239,1236 2.125,1237 1.825,1238 1.782,1239 1.948,1240 2.02,1241 1.145,1242 1.993,1243 1.649,1244 1.585,1245 1.807,1246 1.848,1247 0.896,1248 1.845,1249 1.454,1250 1.404,1251 1.614,1252 1.614,1253 0.63,1254 1.621,1255 1.109,1256 1.045,1257 1.417,1258 1.38,1259 0.469,1260 1.358,1261 0.974,1262 0.896,1263 1.272,1264 1.292,1265 0.275,1266 1.308,1267 0.934,1268 0.804,1269 1.213,1270 1.239,1271 0.166,1272 1.281,1273 0.834,1274 0.75,1275 1.113,1276 1.171,1277 0.034,1278 1.16,1279 4.007,1281 5.371,1282 2.398,1283 6.94,1284 4.844,1285 8.606,1286 7.081,1287 10.321,1289 4.105,1293 12.193,1299 0.155,1305 26.784,1306 61.034,1307 157.743,1308 186.15,1309 198.15,1310 198.15,1311 198.15,1312 31.871,1313 7.586,1314 108.53,1315 108.53,1316 23,1317 12.747,1318 4.459,1319 3.524,1320 33.621,1321 72,1322 66,1323 0.233,1324 165.48,1325 262.86,1326 395.532,1327 18886,1329 16.845,1330 0.702,1331 0.56,1332 16.845,1333 13.432,1334 11.559,1335 0.428,1336 0.285,1337 7.588,1338 11.129,1339 7.356,1340 6.144,1341 11.559,1342 7.693,1343 10.862,1344 0.272,1345 0.149,1346 10.862,1347 5.977,1348 9.453,1349 0.166,1350 0.071,1351 9.453,1352 4.056,1353 8.303,1354 0.104,1355 0.036,1356 8.303,1357 2.872,1358 6.997,1359 0.066,1360 0.019,1361 6.997,1362 2.008,1363 0.35,1364 72.237,1365 0.236,1366 22.675,1367 0.692,1368 134,1369 356.85,1370 146.184,1371 358.395,1372 511.24,1373 336,1374 164,1375 405.603,1376 177.461,1377 412.736,1378 609.46,1379 389,1380 5.292}
{0 CHEMBL1242109,1 1.545,2 7.773,3 3.169,4 10.04,5 87.823,6 7.254,7 0.667,8 3.817,9 3.953,10 3.356,11 3.317,12 4.964,13 3.302,14 4.319,15 4.514,16 3.737,17 3.699,18 5.382,19 3.668,20 4.531,21 4.737,22 3.845,23 3.829,24 5.621,25 3.793,26 4.669,27 4.899,28 3.812,29 3.864,30 5.773,31 3.8,32 4.639,33 4.898,34 3.675,35 3.813,36 5.625,37 3.727,38 4.463,39 4.663,40 3.634,41 3.745,42 5.569,43 3.672,44 4.569,45 4.822,46 3.416,47 3.682,48 5.671,49 3.549,50 4.49,51 4.793,52 2.952,53 3.434,54 5.394,55 3.24,56 0.065,57 0.646,58 8.841,59 3.41,60 11.163,61 4.762,62 0.144,63 0.998,64 15.748,65 5.64,66 17.467,67 8.217,68 0.164,69 1.182,70 19.979,71 6.359,72 23.454,73 9.592,74 0.376,75 1.279,76 23.993,77 7.153,78 44.91,79 10.737,80 0.318,81 1.194,82 23.803,83 6.907,84 38.151,85 10.899,86 0.183,87 1.085,88 18.433,89 5.975,90 23.726,91 9.01,92 0.362,93 1.052,94 22.123,95 6.73,96 55.487,97 10.417,98 0.268,99 0.831,100 21.893,101 6.615,102 42.491,103 10.149,104 28,105 35,106 0.272,107 0.679,108 0.82,109 0.866,110 0.866,111 0.866,112 3.149,113 0.914,114 -4.63,115 -4.55,116 -4.28,119 39,120 3,121 1,127 1,142 3,143 3,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 7,177 1,178 1,180 3,183 7,185 1,186 1,187 6,192 3,195 7,198 2,199 8,201 3,202 3,204 2,207 4,209 1,212 7,215 1,217 3,220 4,222 2,224 6,227 1,229 3,232 6,234 3,237 4,240 2,241 1,242 2,244 1,245 4,247 2,250 2,255 3,258 3,260 1,268 1,271 3,275 608,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.71,282 12.584,283 8.322,284 14.932,285 11.722,286 11.722,287 11.722,288 11.722,289 11.722,290 8.795,291 9.346,292 3.816,293 12.207,294 3.813,295 1.507,296 0.708,297 0.445,298 0.445,299 0.445,300 3.821,303 1,304 1,305 1,306 359,307 2.828,310 42.576,311 113.692,314 81.322,318 1.087,319 20.624,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 171,332 4.761,333 3.382,334 7.044,335 4.305,336 3.341,337 4.732,339 12.109,340 3.221,341 4.217,342 3.009,343 6.209,344 3.807,345 2.832,346 3.88,348 9.083,349 2.756,350 3.836,351 2.708,352 5.947,353 3.532,354 2.573,355 3.225,357 8.175,358 2.465,359 3.679,360 2.407,361 5.667,362 3.286,363 2.322,364 3.085,366 7.27,367 2.237,368 3.089,369 1.888,370 4.927,371 2.77,372 1.824,373 2.253,375 5.132,376 1.721,377 2.992,378 1.684,379 4.469,380 2.453,381 1.509,382 2.188,384 4.128,385 1.42,386 2.82,387 1.525,388 4.047,389 2.384,390 1.414,391 1.948,393 3.513,394 1.365,395 2.542,396 1.103,397 4.023,398 2.053,399 1.095,400 1.559,402 2.94,403 1.046,404 2.26,405 0.993,406 3.595,407 1.886,408 0.936,409 1.196,411 2.287,412 0.887,413 1.372,414 0.424,415 2.736,416 1.162,417 0.172,418 0.181,420 0.257,421 0.17,422 1.228,423 0.194,424 2.576,425 1.06,426 0.098,427 0.118,428 0.198,429 0.094,430 1.039,431 -0.164,432 2.387,433 0.612,434 -0.302,435 -0.383,436 -0.695,437 -0.275,438 0.78,439 -0.376,440 2.373,441 0.355,442 -0.595,443 -0.77,445 -1.604,446 -0.56,447 0.609,448 -0.758,449 2.205,450 0.127,451 -0.82,452 -1.105,454 -2.254,455 -0.772,456 0.22,457 -0.92,458 2,459 -0.092,460 -1.059,461 -1.255,463 -2.822,464 -1.025,465 10.333,466 0.47,467 0.648,468 0.029,469 29.25,470 1.33,471 15,472 0.682,473 14.25,474 0.648,475 17.779,476 0.808,477 23.867,478 0.582,479 20.397,480 0.927,481 5.501,482 0.25,483 5.023,484 0.228,485 0.216,487 0.426,493 0.947,494 1.277,495 0.842,496 1.058,497 1.085,498 0.956,499 0.659,500 1.095,501 0.679,502 0.935,503 0.535,504 0.826,505 1.032,506 1.269,507 0.86,508 1.03,509 0.817,510 0.93,511 1.19,512 1.012,513 1.055,514 0.985,515 1.16,516 1,517 1.015,518 0.939,519 0.97,520 0.847,521 0.772,522 0.88,523 1.037,524 1.342,525 1.205,526 1.299,527 1.046,528 1.269,529 0.916,530 1.05,531 1.234,532 1.191,533 1.003,534 1.241,535 1.138,536 0.847,537 1.105,538 1.018,539 1.242,540 1.056,541 4.5,543 3.333,544 2.042,545 1.807,546 0.907,547 0.627,548 0.414,549 0.185,550 0.051,551 4133,552 10478,553 2.017,554 46.3,555 6,556 4,558 1,559 3,561 5,564 1.654,565 1.833,566 2.953,567 1.069,568 1,569 1,571 1,573 63.339,574 1.545,575 3.851,576 4.65,577 4.912,578 4.912,579 4.912,580 2.392,581 4.459,582 4.43,583 3.047,584 703.914,585 7.655,586 7464.11,587 1,588 1,590 1,591 219.66,592 1.544,593 4.36,594 0.188,596 0.095,597 0.054,598 0.052,599 0.029,600 0.022,601 0.02,602 0.015,603 0.01,604 0.484,605 0.5,606 1,607 1.094,608 98.203,609 -0.041,610 -0.038,611 0.032,612 0.024,613 -0.178,614 0.032,615 0.161,616 0.033,617 0.237,618 0.101,619 0.141,620 0.165,621 -0.043,622 -0.17,623 0.083,624 -0.035,625 0.049,626 0.032,627 -0.031,628 0.045,629 -0.076,630 -0.04,631 -0.072,632 -0.068,633 -0.081,634 0.068,635 0.007,636 0.102,637 0.017,638 0.079,639 -0.102,640 -0.221,641 -0.282,642 -0.304,643 -0.116,644 -0.313,645 0.061,646 -0.06,647 -0.263,648 -0.236,649 0.048,650 -0.283,651 -0.111,652 -0.029,653 -0.084,654 -0.065,655 -0.086,656 -0.067,657 1.431,658 3.968,659 0.682,660 15.364,661 1.001,662 1.137,663 3.396,664 11.533,665 0.654,666 3.219,667 3.584,668 3.912,669 4.205,670 4.477,671 4.615,672 4.71,673 4.787,674 4.736,675 4.615,676 4.739,677 0.622,678 297.4,679 3.219,680 4.779,681 5.659,682 6.567,683 7.474,684 8.391,685 9.308,686 10.23,687 11.151,688 12.075,689 12.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,731 41,733 16,734 1,735 24,737 43,738 16,739 11,740 3,741 3,746 3,747 4,752 3,758 2,761 11,762 5,777 1,778 1,781 19,782 5,783 3,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 22,849 1,853 1,854 1,858 1,870 2.4,872 1,877 12,878 8.25,879 4.861,880 2.58,881 3.124,882 1.45,883 0.958,884 3.75,885 10.069,886 3.497,887 4.186,888 4.874,889 5.543,890 6.137,891 6.548,892 6.983,893 7.424,894 7.67,895 7.911,896 1,897 38,898 8.096,900 3.427,901 7.75,902 15.402,904 12.565,905 2.25,906 49.5,909 1,910 188.338,911 81.802,912 84.908,914 42.683,917 81.802,918 231.021,919 84.908,920 26.476,921 2.535,922 61.326,923 106.404,924 22.096,925 2.328,926 176.567,928 188.338,929 166.709,930 42.683,933 129.482,934 101.539,937 43.877,938 72.598,939 50.234,941 188.338,942 127.591,943 81.802,946 188.338,947 18.279,948 65.3,950 125.815,951 188.338,952 127.591,953 81.802,955 0.592,956 0.365,957 0.193,958 0.113,959 18,960 9,961 0.07,962 3,963 1,964 1.133,965 3.229,966 181.498,967 0.133,968 15,969 98.107,974 14.793,975 5.577,976 2.452,977 1.447,978 125.815,979 6.933,980 13.112,984 2.952,985 1.875,986 75.581,987 397.73,988 32,999 41.022,1000 46.607,1001 0.288,1002 0.719,1003 0.868,1004 0.917,1005 0.917,1006 0.917,1007 4.745,1008 1.095,1009 5.68,1010 3.513,1011 4.263,1012 4.871,1014 6.564,1015 4.185,1016 5.996,1017 0.936,1018 7.292,1019 2.94,1020 4.007,1021 4.856,1023 7.621,1024 3.895,1025 7.34,1026 0.172,1027 9.005,1028 2.287,1029 5.927,1030 7.208,1032 10.768,1033 5.781,1034 8.726,1035 0.098,1036 10.775,1037 0.257,1038 6.479,1039 8.032,1041 12.66,1042 6.298,1043 10.144,1044 -0.302,1045 12.582,1046 0.198,1047 7.909,1048 9.882,1050 15.353,1051 7.696,1052 11.588,1053 -0.595,1054 14.414,1055 -0.695,1056 8.815,1057 11.096,1059 17.594,1060 8.565,1061 13.051,1062 -0.82,1063 16.265,1064 -1.604,1065 10.074,1066 12.752,1068 20.141,1069 9.792,1070 3.341,1071 -1.059,1072 18.131,1073 -2.254,1074 11.137,1075 14.148,1077 22.53,1078 10.817,1079 2.832,1080 12.109,1081 20.009,1082 -2.822,1083 12.34,1084 15.73,1086 25.033,1087 11.985,1088 2.573,1089 9.083,1090 21.898,1091 4.732,1092 13.472,1093 17.209,1095 27.483,1096 13.08,1097 2.322,1098 8.175,1099 23.794,1100 3.88,1101 14.661,1102 18.766,1104 29.975,1105 14.233,1106 1.824,1107 7.27,1108 25.698,1109 3.225,1110 15.826,1111 20.283,1113 32.449,1114 15.361,1115 1.509,1116 5.132,1117 27.609,1118 3.085,1119 17.014,1120 21.832,1122 34.94,1123 16.512,1124 1.414,1125 4.128,1126 29.525,1127 2.253,1128 18.196,1129 23.367,1131 37.425,1132 17.657,1133 4172,1134 6771,1135 15.433,1136 26.813,1137 36.468,1138 36.49,1139 39.356,1140 36.312,1141 36.236,1142 48.731,1144 110.184,1145 34.767,1146 5.486,1147 5.382,1148 6.587,1149 5.378,1150 5.341,1151 7.732,1153 19.605,1154 5.221,1155 12.74,1156 1.519,1157 1.52,1158 1.64,1159 1.513,1160 1.51,1161 2.03,1163 4.591,1164 1.449,1165 4.136,1166 4.182,1167 4.118,1168 4.001,1169 6.469,1170 4.022,1171 3.864,1172 3.893,1173 3.81,1174 3.763,1175 5.254,1176 3.773,1177 3.635,1178 3.707,1179 3.497,1180 3.487,1181 4.871,1182 3.476,1183 3.293,1184 3.378,1185 3.195,1186 3.098,1187 4.616,1188 3.108,1189 3.168,1190 3.263,1191 2.98,1192 2.96,1193 4.45,1194 2.944,1195 3.034,1196 3.149,1197 2.815,1198 2.79,1199 4.119,1200 2.786,1201 2.969,1202 3.074,1203 2.806,1204 2.746,1205 3.844,1206 2.749,1207 2.93,1208 2.97,1209 2.775,1210 2.669,1211 3.712,1212 2.7,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.761,1219 0.197,1220 3.382,1222 7.044,1223 0.505,1224 4.305,1225 0.134,1226 3.341,1227 4.732,1229 12.109,1230 3.221,1231 1.944,1232 1.924,1233 2.03,1234 2.044,1235 1.247,1236 2.033,1237 1.815,1238 1.765,1239 1.983,1240 2.001,1241 1.161,1242 1.994,1243 1.663,1244 1.605,1245 1.805,1246 1.846,1247 0.894,1248 1.848,1249 1.301,1250 1.23,1251 1.605,1252 1.542,1253 0.703,1254 1.557,1255 1.189,1256 1.09,1257 1.533,1258 1.426,1259 0.59,1260 1.472,1261 0.992,1262 0.894,1263 1.238,1264 1.32,1265 0.249,1266 1.321,1267 0.883,1268 0.839,1269 1.143,1270 1.176,1271 0.169,1272 1.158,1273 0.813,1274 0.733,1275 1.094,1276 1.133,1277 0.099,1278 1.13,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.445,1286 7.081,1287 10.143,1289 6.035,1293 6.05,1294 9.968,1295 0.93,1299 0.199,1305 25.509,1306 63.339,1307 157.885,1308 190.64,1309 201.395,1310 201.395,1311 201.395,1312 35.45,1313 6.945,1314 89.85,1315 89.85,1316 17,1317 12.581,1318 4.087,1319 3.17,1320 34.119,1321 61,1322 64,1323 0.284,1324 159.544,1325 260.89,1326 381.047,1327 7880,1329 15.853,1330 0.721,1331 0.587,1332 15.853,1333 12.907,1334 10.524,1335 0.439,1336 0.305,1337 7.218,1338 10.137,1339 6.946,1340 5.849,1341 10.524,1342 7.312,1343 9.626,1344 0.275,1345 0.157,1346 9.626,1347 5.509,1348 8.556,1349 0.175,1350 0.082,1351 8.556,1352 4.009,1353 6.809,1354 0.103,1355 0.037,1356 6.809,1357 2.434,1358 5.709,1359 0.066,1360 0.02,1361 5.709,1362 1.706,1363 0.42,1364 65.864,1365 0.255,1366 20.956,1367 0.861,1368 118,1369 322.042,1370 129.54,1371 319.405,1372 448.47,1373 298,1374 143,1375 350.323,1376 155.79,1377 355.294,1378 523.18,1379 334,1380 6.125}
{0 CHEMBL1242110,1 1.752,2 6.571,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.956,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.396,19 3.565,20 4.393,21 4.58,22 3.856,23 3.65,24 5.777,25 3.672,26 4.481,27 4.701,28 3.819,29 3.659,30 5.8,31 3.662,32 4.387,33 4.588,34 3.678,35 3.618,36 5.624,37 3.598,38 4.344,39 4.534,40 3.659,41 3.559,42 5.744,43 3.53,44 4.435,45 4.693,46 3.299,47 3.412,48 5.741,49 3.32,50 4.221,51 4.534,52 2.473,53 2.982,54 5.325,55 2.799,56 0.131,57 0.635,58 6.202,59 2.778,60 13.852,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 24.847,67 5.897,68 0.459,69 1.171,70 15.59,71 5.056,72 51.643,73 6.646,74 0.573,75 1.235,76 18.635,77 5.657,78 63.68,79 7.363,80 0.456,81 1.123,82 15.695,83 4.991,84 43.694,85 6.603,86 0.443,87 1.09,88 14.477,89 5.063,90 51.692,91 6.892,92 0.593,93 0.979,94 19.718,95 5.679,96 74.472,97 7.699,98 0.584,99 0.61,100 19.668,101 5.333,102 83.255,103 7.068,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.106,113 0.844,114 -4.52,115 -4.44,116 -4.18,119 40,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 4,185 1,186 1,187 4,192 2,195 2,198 2,199 6,201 3,202 3,204 2,207 3,209 1,212 4,215 1,217 2,220 3,222 1,224 5,227 1,229 3,232 2,234 3,237 2,240 2,241 1,242 1,244 1,245 2,247 1,255 2,258 2,275 520,276 13.828,277 13.828,278 13.828,279 13.828,280 13.828,281 11.864,282 12.029,283 7.866,284 14.164,285 11.291,286 11.291,287 11.291,288 11.291,289 11.291,290 8.349,291 8.729,292 3.653,293 11.881,294 3.378,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.777,303 1,304 1,305 1,306 290,307 2.646,310 38.354,311 105.827,314 73.731,318 0.966,319 30.334,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 138,332 4.774,333 3.444,334 7.074,335 4.322,336 3.358,337 4.741,339 12.208,340 3.236,341 4.301,342 3.196,343 6.465,344 3.87,345 2.92,346 3.982,348 9.848,349 2.767,350 3.801,351 2.653,352 5.984,353 3.463,354 2.513,355 3.204,357 8.126,358 2.384,359 3.532,360 2.301,361 5.463,362 3.114,363 2.167,364 2.903,366 6.62,367 2.044,368 3.025,369 1.866,370 4.819,371 2.682,372 1.741,373 2.197,375 4.817,376 1.634,377 2.955,378 1.804,379 4.52,380 2.435,381 1.497,382 2.118,384 4.087,385 1.402,386 2.865,387 1.52,388 3.906,389 2.382,390 1.414,391 2.026,393 3.176,394 1.354,395 2.528,396 1.153,397 3.825,398 2.016,399 1.078,400 1.54,402 2.773,403 1.007,404 2.132,405 0.903,406 3.498,407 1.788,408 0.829,409 1.041,411 2.079,412 0.791,413 1.346,414 0.62,415 2.779,416 0.986,417 0.122,418 0.143,420 0.275,421 0.103,422 1.062,423 -0.141,424 2.427,425 0.632,426 -0.287,427 -0.365,428 -0.667,429 -0.262,430 0.927,431 -0.256,432 2.359,433 0.486,434 -0.468,435 -0.625,436 -1.14,437 -0.443,438 0.606,439 -0.739,440 2.256,441 0.098,442 -0.831,443 -1,445 -2,446 -0.766,447 0.171,448 -0.881,449 2.131,451 -1,452 -1.129,454 -2.31,455 -1,457 -1,458 1.803,459 -0.203,460 -1.149,461 -1.39,463 -3.199,464 -1.054,465 9.619,466 0.458,467 0.669,468 0.032,469 29,470 1.381,471 15,472 0.714,473 14,474 0.667,475 15.279,476 0.728,477 22.781,478 0.651,479 20.933,480 0.997,481 5.692,482 0.271,483 4.311,484 0.205,485 0.21,487 0.457,491 1,493 0.778,494 1.115,495 0.718,496 0.996,497 0.79,498 0.871,499 0.655,500 1.063,501 0.599,502 0.947,503 0.576,504 0.793,505 0.914,506 1.232,507 0.786,508 0.983,509 0.735,510 0.863,511 1.079,512 0.988,513 0.935,514 0.871,515 1.077,516 0.859,517 1.021,518 1.073,519 1.121,520 1.056,521 0.943,522 1.088,523 0.743,524 1.156,525 1.051,526 1.35,527 0.794,528 1.304,529 1.167,530 1.046,531 1.319,532 1.146,533 1.221,534 1.241,535 1.618,536 0.8,537 1.348,538 0.872,539 1.795,540 1.018,541 4,543 3.111,544 2.292,545 1.727,546 0.962,547 0.581,548 0.255,549 0.061,551 3534,552 11339,553 2.018,554 40,556 4,558 1,559 3,561 6,564 1.642,565 1.826,566 2.773,567 1.156,569 1,571 1,573 61.309,574 1.752,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.124,581 4.107,582 4.367,583 2.876,584 603.892,585 7.534,586 6230.5,587 1,588 1,590 1,591 179.525,592 1.545,593 4.289,594 0.174,596 0.092,597 0.062,598 0.049,599 0.032,600 0.021,601 0.015,602 0.01,604 0.455,605 0.5,606 1,607 0.911,608 91.31,609 -0.086,610 -0.056,611 0.01,612 0.034,613 -0.146,614 0.044,615 0.05,616 -0.058,617 0.22,618 0.055,619 0.043,620 0.155,621 0.03,622 -0.19,623 0.106,624 -0.024,625 0.148,626 0.053,627 -0.027,628 0.101,629 0.024,630 0.069,631 -0.042,632 0.059,633 -0.111,634 -0.033,635 -0.229,636 -0.107,637 -0.096,638 -0.174,639 0.159,640 -0.109,641 -0.168,642 -0.373,643 0.12,644 -0.373,645 -0.074,646 -0.065,647 -0.272,648 -0.202,649 -0.059,650 -0.267,651 -0.248,652 0.136,653 -0.122,654 0.133,655 -0.263,656 0.066,657 2.406,658 6.176,659 0.714,660 12.916,661 1.022,662 1.146,663 3.287,664 10.808,665 0.664,666 3.178,667 3.555,668 3.892,669 4.205,670 4.454,671 4.585,672 4.654,673 4.673,674 4.564,675 4.489,676 4.379,677 0.653,678 287.33,679 3.178,680 4.745,681 5.631,682 6.547,683 7.459,684 8.383,685 9.304,686 10.232,687 11.156,688 12.085,689 14.3,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,733 16,734 1,735 23,737 37,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,779 1,781 14,782 6,783 3,784 7,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 1,848 21,849 1,853 1,858 1,869 1,870 2.9,872 1,877 11.5,878 6.893,879 4.556,880 2.04,881 3.177,882 1.463,883 0.968,884 3.26,885 10.039,886 3.466,887 4.171,888 4.87,889 5.549,890 6.13,891 6.535,892 6.958,893 7.363,894 7.581,895 7.858,896 1,897 37,898 7.767,900 3.422,901 8.071,902 14.232,904 11.624,905 2.571,906 54,910 129.482,911 76.377,912 84.908,914 42.683,915 14.96,917 76.377,918 172.165,919 99.868,920 17.65,922 61.326,923 106.404,924 28.031,925 17.288,926 117.711,928 129.482,929 161.285,930 57.643,933 73.816,934 113.31,937 32.518,938 78.533,939 50.234,941 144.442,942 127.591,943 76.377,946 129.482,947 21.68,948 56.474,950 140.775,951 129.482,952 142.551,953 76.377,955 0.597,956 0.366,957 0.202,958 0.115,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.112,966 172.689,967 0.133,968 15,969 90.239,974 13.773,975 4.971,976 2.12,977 1.019,978 140.775,979 5.711,980 12.537,984 -0.457,985 1.659,986 75.581,987 348.411,988 31,999 35.767,1000 40.117,1001 0.342,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.718,1008 1.078,1009 5.659,1010 3.176,1011 4.234,1012 4.856,1014 6.561,1015 4.135,1016 5.979,1017 0.829,1018 7.283,1019 2.773,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.328,1026 0.122,1027 9.009,1028 2.079,1029 5.911,1030 7.207,1032 10.82,1033 5.728,1034 8.72,1035 -0.287,1036 10.794,1037 0.275,1038 6.494,1039 8.05,1041 12.743,1042 6.262,1043 10.146,1044 -0.468,1045 12.616,1046 -0.667,1047 7.922,1048 9.9,1050 15.449,1051 7.662,1052 11.598,1053 -0.831,1054 14.464,1055 -1.14,1056 8.854,1057 11.129,1059 17.704,1060 8.549,1061 13.07,1062 -1,1063 16.329,1064 -2,1065 10.117,1066 12.786,1068 20.261,1069 9.782,1070 3.358,1071 -1.149,1072 18.209,1073 -2.31,1074 11.198,1075 14.19,1077 22.654,1078 10.822,1079 2.92,1080 12.208,1081 20.099,1082 -3.199,1083 12.406,1084 15.773,1086 25.164,1087 11.999,1088 2.513,1089 9.848,1090 21.999,1091 4.741,1092 13.551,1093 17.256,1095 27.615,1096 13.106,1097 2.167,1098 8.126,1099 23.905,1100 3.982,1101 14.745,1102 18.812,1104 30.111,1105 14.267,1106 1.741,1107 6.62,1108 25.818,1109 3.204,1110 15.919,1111 20.331,1113 32.588,1114 15.404,1115 1.497,1116 4.817,1117 27.735,1118 2.903,1119 17.112,1120 21.88,1122 35.083,1123 16.563,1124 1.414,1125 4.087,1126 29.657,1127 2.197,1128 18.299,1129 23.415,1131 37.571,1132 17.715,1133 3570,1134 6516,1135 14.74,1136 23.228,1137 35.566,1138 36.164,1139 37.888,1140 35.246,1141 35.281,1142 47.79,1144 108.02,1145 33.446,1146 5.447,1147 5.444,1148 6.602,1149 5.395,1150 5.358,1151 7.741,1153 19.866,1154 5.236,1155 12.051,1156 1.546,1157 1.572,1158 1.647,1159 1.532,1160 1.534,1161 2.078,1163 4.697,1164 1.454,1165 4.133,1166 4.18,1167 4.118,1168 3.992,1169 8.201,1170 4.016,1171 3.843,1172 3.871,1173 3.805,1174 3.729,1175 6.465,1176 3.744,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 5.253,1182 3.399,1183 3.206,1184 3.287,1185 3.117,1186 2.984,1187 4.867,1188 3.013,1189 3.004,1190 3.113,1191 2.884,1192 2.743,1193 4.571,1194 2.764,1195 2.954,1196 3.009,1197 2.869,1198 2.693,1199 4.43,1200 2.732,1201 2.874,1202 2.991,1203 2.692,1204 2.618,1205 4.068,1206 2.598,1207 2.789,1208 2.852,1209 2.499,1210 2.586,1211 3.699,1212 2.57,1213 0.208,1214 0.15,1215 0.308,1216 0.188,1217 0.146,1218 4.774,1219 0.206,1220 3.444,1222 7.074,1223 0.531,1224 4.322,1225 0.141,1226 3.358,1227 4.741,1229 12.208,1230 3.236,1231 1.921,1232 1.902,1233 1.985,1234 2.038,1235 1.151,1236 2.017,1237 1.793,1238 1.746,1239 1.944,1240 1.982,1241 1.096,1242 1.968,1243 1.61,1244 1.546,1245 1.772,1246 1.809,1247 0.827,1248 1.809,1249 1.147,1250 1.087,1251 1.417,1252 1.407,1253 0.469,1254 1.379,1255 0.934,1256 0.826,1257 1.272,1258 1.239,1259 0.288,1260 1.308,1261 0.879,1262 0.804,1263 1.158,1264 1.23,1265 0.051,1266 1.216,1267 0.856,1268 0.78,1269 1.056,1270 1.137,1271 0.033,1272 1.11,1273 0.761,1274 0.668,1275 0.99,1276 1.064,1278 1.052,1279 3.85,1281 5.209,1282 2.398,1283 6.774,1284 4.844,1285 8.435,1286 7.081,1287 10.146,1289 3.876,1291 14.176,1293 5.907,1294 9.547,1299 0.024,1305 22.839,1306 61.309,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 41.891,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.589,1318 4.087,1319 3.17,1320 31.769,1321 54,1322 48,1323 0.301,1324 141.557,1325 232.36,1326 337.159,1327 7124,1328 2.9,1329 15.146,1330 0.721,1331 0.551,1332 14.276,1333 11.578,1334 10.003,1335 0.435,1336 0.281,1337 6.35,1338 9.507,1339 6.171,1340 5.15,1341 9.575,1342 6.469,1343 9.388,1344 0.276,1345 0.147,1346 8.989,1347 4.983,1348 8.113,1349 0.169,1350 0.068,1351 7.376,1352 3.241,1353 6.822,1354 0.103,1355 0.034,1356 6.511,1357 2.247,1358 5.522,1359 0.065,1360 0.018,1361 5.35,1362 1.512,1363 0.439,1364 63.603,1365 0.26,1366 19.916,1367 0.936,1368 114,1369 404.153,1370 129.371,1371 368.776,1372 501.75,1373 342,1374 139,1375 379.657,1376 155.891,1377 376.686,1378 557.48,1379 354,1380 5.697}
{0 CHEMBL1242111,1 1.706,2 7.174,3 3.04,4 9.242,5 85.72,6 8.035,7 0.615,8 3.809,9 3.932,10 3.434,11 3.324,12 4.993,13 3.333,14 4.337,15 4.503,16 3.836,17 3.745,18 5.471,19 3.734,20 4.617,21 4.837,22 3.922,23 3.813,24 5.842,25 3.791,26 4.597,27 4.832,28 3.911,29 3.757,30 5.84,31 3.756,32 4.488,33 4.682,34 3.831,35 3.761,36 5.693,37 3.748,38 4.492,39 4.68,40 3.815,41 3.757,42 5.803,43 3.724,44 4.567,45 4.798,46 3.588,47 3.673,48 5.798,49 3.594,50 4.485,51 4.771,52 3.014,53 3.386,54 5.552,55 3.237,56 0.117,57 0.705,58 7.216,59 3.292,60 14.965,61 4.037,62 0.212,63 1.138,64 13.598,65 5.774,66 23.759,67 7.467,68 0.475,69 1.352,70 21.474,71 7.034,72 63.728,73 9.791,74 0.6,75 1.367,76 22.085,77 6.33,78 64.556,79 8.566,80 0.45,81 1.275,82 17.455,83 5.498,84 42.818,85 7.287,86 0.466,87 1.284,88 17.143,89 5.978,90 57.843,91 8.093,92 0.521,93 1.219,94 21.068,95 6.956,96 74.24,97 9.231,98 0.568,99 0.953,100 22.975,101 6.75,102 84.052,103 8.915,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.191,113 0.88,114 -5.02,115 -4.92,116 -4.61,119 41,121 4,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 7,177 1,178 1,180 2,183 6,185 1,186 1,187 6,192 2,195 2,198 2,199 8,201 3,202 3,204 2,207 3,209 1,212 6,215 1,217 2,220 5,222 1,224 5,227 1,229 3,232 4,234 3,237 4,240 2,241 1,242 3,244 1,245 4,247 3,255 2,258 4,268 2,271 2,275 660,276 15.69,277 15.69,278 15.69,279 15.69,280 15.69,281 13.726,282 12.029,283 9.086,284 16.009,285 12.811,286 12.811,287 12.811,288 12.811,289 12.811,290 9.883,291 8.729,292 4.268,293 13.39,294 3.58,295 1.366,296 0.891,297 0.564,298 0.564,299 0.564,300 3.884,303 1,304 1,305 1,306 362,307 2.121,310 90.311,311 115.103,314 79.756,318 1.066,319 31.835,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 165,332 4.778,333 3.45,334 7.083,335 4.33,336 3.367,337 4.742,339 12.257,340 3.243,341 4.305,342 3.21,343 6.488,344 3.889,345 2.936,346 3.983,348 9.978,349 2.79,350 3.866,351 2.759,352 6.099,353 3.6,354 2.637,355 3.233,357 8.651,358 2.538,359 3.532,360 2.301,361 5.476,362 3.114,363 2.168,364 2.903,366 6.653,367 2.044,368 3.238,369 2.037,370 5.076,371 2.944,372 1.99,373 2.365,375 5.688,376 1.894,377 2.966,378 1.846,379 4.521,380 2.438,381 1.502,382 2.176,384 4.099,385 1.404,386 2.865,387 1.524,388 4.236,389 2.382,390 1.414,391 2.026,393 3.529,394 1.355,395 2.638,396 1.411,397 3.871,398 2.306,399 1.343,400 1.684,402 3.176,403 1.289,404 2.453,405 1.152,406 3.666,407 1.988,408 1.059,409 1.438,411 2.597,412 0.979,413 1.858,414 0.758,415 3.25,416 1.667,417 0.69,418 0.788,420 1.756,421 0.672,422 1.618,423 0.618,424 3,425 1.618,426 0.618,427 0.618,428 1.372,429 0.618,430 1.346,431 0.601,432 2.779,433 0.986,434 0.122,435 0.143,436 0.275,437 0.103,438 1.061,439 -0.14,440 2.462,441 0.634,442 -0.285,443 -0.362,445 -0.665,446 -0.261,447 0.927,448 -0.255,449 2.359,450 0.488,451 -0.467,452 -0.623,454 -1.14,455 -0.442,456 0.613,457 -0.721,458 2.333,459 0.126,460 -0.804,461 -1.042,463 -2.218,464 -0.743,465 10.619,466 0.462,467 0.593,468 0.026,469 30.5,470 1.326,471 15,472 0.652,473 15.5,474 0.674,475 17.947,476 0.78,477 24.781,478 0.635,479 21.535,480 0.936,481 5.667,482 0.246,483 5.498,484 0.239,485 0.096,487 0.414,491 1,493 0.752,494 1.075,495 0.719,496 0.971,497 0.727,498 0.863,499 0.613,500 1.087,501 0.731,502 1.086,503 0.529,504 0.969,505 0.768,506 1.182,507 0.772,508 1.035,509 0.614,510 0.926,511 1.094,512 0.931,513 0.85,514 0.734,515 1.035,516 0.72,517 1.073,518 1.066,519 1.082,520 0.968,521 0.963,522 0.995,523 0.785,524 1.064,525 1.061,526 1.21,527 0.805,528 1.201,529 1.081,530 1.17,531 1.243,532 1.245,533 1.166,534 1.276,535 1.489,536 0.917,537 1.365,538 1.014,539 1.643,540 1.133,541 3.5,543 3.111,544 2.069,545 1.567,546 0.931,547 0.567,548 0.311,549 0.117,550 0.031,551 5004,552 14079,553 2.141,554 41,555 4,556 4,558 1,559 3,561 4,564 1.667,565 2,566 2.887,567 1.075,568 1,569 1,571 1,573 66.521,574 1.706,575 3.919,576 4.394,577 4.721,578 4.721,579 4.721,580 2.272,581 3.556,582 4.497,583 3.002,584 759.596,585 7.795,586 8309.7,587 1,588 1,589 1,590 1,591 206.131,592 1.422,593 4.454,594 0.135,596 0.082,597 0.053,598 0.04,599 0.026,600 0.017,601 0.012,602 0.01,603 0.008,604 0.382,605 0.33,606 1,607 0.58,608 103.738,609 -0.068,610 -0.013,611 0.023,612 0.062,613 -0.078,614 0.063,615 0.05,616 -0.078,617 0.077,618 -0.069,619 0.055,620 -0.011,621 0.106,622 -0.233,623 0.175,624 -0.067,625 0.199,626 0.045,627 -0.007,628 0.137,629 0.145,630 0.185,631 -0.003,632 0.199,633 -0.125,634 0.008,635 -0.191,636 -0.034,637 -0.101,638 -0.101,639 0.115,640 -0.004,641 -0.18,642 -0.242,643 0.089,644 -0.279,645 -0.037,646 -0.142,647 -0.26,648 -0.271,649 -0.049,650 -0.31,651 -0.243,652 0.046,653 -0.244,654 -0.033,655 -0.266,656 -0.109,657 2.381,658 6.353,659 0.87,660 15.622,661 1.017,662 1.142,663 3.786,664 14.337,665 0.666,666 3.296,667 3.664,668 4.025,669 4.357,670 4.585,671 4.771,672 4.934,673 5.043,674 5.05,675 4.99,676 4.702,677 0.65,678 313.37,679 3.296,680 4.86,681 5.753,682 6.666,683 7.58,684 8.504,685 9.428,686 10.357,687 11.284,688 12.216,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 39,733 16,734 1,735 26,737 42,738 16,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 5,777 1,778 1,779 1,781 16,782 6,783 3,784 7,790 5,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,846 1,848 23,849 1,853 1,854 4,858 1,869 1,870 2.6,872 1,877 11.5,878 6.893,879 4.972,880 2.456,881 3.114,882 1.428,883 1.004,884 3.421,885 10.388,886 3.555,887 4.23,888 4.923,889 5.598,890 6.176,891 6.607,892 7.068,893 7.498,894 7.76,895 8.039,896 0.8,897 39,898 8.557,900 3.862,901 7.935,902 16.084,904 13.814,905 2.435,906 56,910 153.024,911 68.865,912 84.908,914 42.683,915 14.96,917 68.865,918 195.708,919 99.868,921 10.138,922 61.326,923 106.404,924 28.031,925 17.288,926 141.253,928 153.024,929 153.773,930 57.643,933 120.9,934 89.768,937 25.005,938 78.533,939 50.234,941 167.984,942 127.591,943 68.865,946 153.024,947 31.818,948 38.824,950 140.775,951 153.024,952 142.551,953 68.865,955 0.59,956 0.366,957 0.207,958 0.109,959 21,960 9,961 0.048,962 2,963 1,964 1.1,965 3.402,966 202.231,967 0.1,968 20,969 100.042,974 14.401,975 5.463,976 2.252,977 1.144,978 140.775,979 5.846,980 12.911,984 -0.293,985 1.833,986 75.581,987 364.441,988 34,999 39.651,1000 44.532,1001 0.323,1002 0.742,1003 0.831,1004 0.893,1005 0.893,1006 0.893,1007 4.812,1008 1.343,1009 5.759,1010 3.529,1011 4.344,1012 4.916,1014 6.65,1015 4.256,1016 6.045,1017 1.059,1018 7.367,1019 3.176,1020 4.007,1021 4.856,1023 7.711,1024 3.858,1025 7.383,1026 0.69,1027 9.081,1028 2.597,1029 6.004,1030 7.234,1032 10.892,1033 5.836,1034 8.766,1035 0.618,1036 10.858,1037 1.756,1038 6.538,1039 8.06,1041 12.808,1042 6.314,1043 10.187,1044 0.122,1045 12.675,1046 1.372,1047 7.998,1048 9.912,1050 15.515,1051 7.752,1052 11.634,1053 -0.285,1054 14.519,1055 0.275,1056 8.908,1057 11.136,1059 17.768,1060 8.613,1061 13.102,1062 -0.467,1063 16.383,1064 -0.665,1065 10.182,1066 12.792,1068 20.324,1069 9.858,1070 3.367,1071 -0.804,1072 18.261,1073 -1.14,1074 11.253,1075 14.195,1077 22.716,1078 10.885,1079 2.936,1080 12.257,1081 20.15,1082 -2.218,1083 12.464,1084 15.777,1086 25.226,1087 12.064,1088 2.637,1089 9.978,1090 22.048,1091 4.742,1092 13.605,1093 17.259,1095 27.677,1096 13.165,1097 2.168,1098 8.651,1099 23.954,1100 3.983,1101 14.8,1102 18.816,1104 30.175,1105 14.325,1106 1.99,1107 6.653,1108 25.866,1109 3.233,1110 15.971,1111 20.334,1113 32.653,1114 15.459,1115 1.502,1116 5.688,1117 27.783,1118 2.903,1119 17.165,1120 21.884,1122 35.15,1123 16.617,1124 1.414,1125 4.099,1126 29.705,1127 2.365,1128 18.352,1129 23.419,1131 37.64,1132 17.767,1133 4786,1134 8178,1135 17.512,1136 25.989,1137 39.54,1138 40.411,1139 41.225,1140 39.724,1141 39.689,1142 52.197,1144 120.063,1145 37.859,1146 5.68,1147 5.45,1148 6.678,1149 5.405,1150 5.367,1151 7.742,1153 19.945,1154 5.243,1155 9.909,1156 1.521,1157 1.554,1158 1.586,1159 1.528,1160 1.527,1161 2.008,1163 4.618,1164 1.456,1165 4.145,1166 4.193,1167 4.127,1168 4.003,1169 8.201,1170 4.027,1171 3.865,1172 3.898,1173 3.812,1174 3.765,1175 6.465,1176 3.767,1177 3.774,1178 3.825,1179 3.661,1180 3.65,1181 5.252,1182 3.649,1183 3.284,1184 3.374,1185 3.219,1186 3.016,1187 4.865,1188 3.055,1189 3.035,1190 3.122,1191 2.944,1192 2.82,1193 4.571,1194 2.839,1195 2.954,1196 2.991,1197 2.87,1198 2.743,1199 4.428,1200 2.764,1201 2.869,1202 2.979,1203 2.724,1204 2.671,1205 4.169,1206 2.635,1207 2.86,1208 2.952,1209 2.583,1210 2.601,1211 3.713,1212 2.619,1213 0.184,1214 0.133,1215 0.272,1216 0.167,1217 0.129,1218 4.778,1219 0.182,1220 3.45,1222 7.083,1223 0.471,1224 4.33,1225 0.125,1226 3.367,1227 4.742,1229 12.257,1230 3.243,1231 1.921,1232 1.902,1233 1.984,1234 2.034,1235 1.243,1236 2.013,1237 1.786,1238 1.742,1239 1.89,1240 1.972,1241 1.211,1242 1.949,1243 1.586,1244 1.529,1245 1.86,1246 1.779,1247 1.103,1248 1.793,1249 1.577,1250 1.507,1251 1.75,1252 1.751,1253 0.837,1254 1.775,1255 1.141,1256 1.085,1257 1.267,1258 1.386,1259 0.305,1260 1.363,1261 0.879,1262 0.826,1263 1.158,1264 1.23,1265 0.1,1266 1.216,1267 0.856,1268 0.782,1269 1.056,1270 1.137,1271 0.094,1272 1.109,1273 0.761,1274 0.67,1275 0.995,1276 1.06,1277 0.044,1278 1.049,1279 3.97,1281 5.323,1282 3.045,1283 6.878,1284 5.352,1285 8.531,1286 7.455,1287 10.236,1291 14.353,1293 6.005,1294 9.649,1295 4.316,1299 0.237,1305 25.366,1306 66.521,1307 152.846,1308 171.376,1309 184.131,1310 184.131,1311 184.131,1312 42.71,1313 7.274,1314 89.85,1315 89.85,1316 22,1317 12.718,1318 4.087,1319 3.17,1320 31.467,1321 64,1322 56,1323 0.248,1324 153.348,1325 254.6,1326 365.93,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.539,1332 15.104,1333 12.407,1334 11.165,1335 0.429,1336 0.293,1337 7.512,1338 10.678,1339 7.426,1340 6.106,1341 10.737,1342 7.631,1343 10.188,1344 0.268,1345 0.153,1346 9.789,1347 5.828,1348 9.262,1349 0.168,1350 0.08,1351 8.525,1352 4.422,1353 7.983,1354 0.104,1355 0.043,1356 7.672,1357 3.29,1358 6.151,1359 0.063,1360 0.02,1361 5.979,1362 1.902,1363 0.366,1364 70.574,1365 0.239,1366 21.71,1367 0.762,1368 128,1369 418.153,1370 143.371,1371 382.297,1372 523.91,1373 356,1374 157,1375 397.657,1376 174.224,1377 393.958,1378 586.36,1379 372,1380 5.896}
{0 CHEMBL1242112,1 1.652,2 7.364,3 2.142,4 4.589,5 84.72,6 7.676,7 0.667,8 3.789,9 3.914,10 3.373,11 3.248,12 4.993,13 3.26,14 4.277,15 4.457,16 3.747,17 3.611,18 5.409,19 3.618,20 4.444,21 4.623,22 3.857,23 3.739,24 5.647,25 3.739,26 4.571,27 4.782,28 3.827,29 3.792,30 5.724,31 3.759,32 4.55,33 4.766,34 3.661,35 3.768,36 5.604,37 3.701,38 4.473,39 4.682,40 3.624,41 3.694,42 5.593,43 3.622,44 4.539,45 4.802,46 3.395,47 3.564,48 5.607,49 3.451,50 4.365,51 4.655,52 3.081,53 3.253,54 5.394,55 3.114,56 0.104,57 0.611,58 7.888,59 3.119,60 12.244,61 4.107,62 0.264,63 0.923,64 14.66,65 4.966,66 23.352,67 6.859,68 0.359,69 1.079,70 17.254,71 5.365,72 30.481,73 7.714,74 0.427,75 1.167,76 20.664,77 6.38,78 41.231,79 9.143,80 0.397,81 1.111,82 20.339,83 6.233,84 38.002,85 9.154,86 0.29,87 1.035,88 18.2,89 6.127,90 30.401,91 9.073,92 0.517,93 0.946,94 21.954,95 6.078,96 50.255,97 9.473,98 0.435,99 0.675,100 20.056,101 5.811,102 48.816,103 8.866,104 30,105 35,106 0.294,107 0.695,108 0.809,109 0.831,110 0.831,111 0.831,112 3.148,113 0.861,114 -3.89,115 -3.84,116 -3.65,119 38.5,120 2,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 8,177 1,178 1,180 2,183 4,185 1,186 1,187 7,190 1,192 2,195 3,198 2,199 8,201 3,202 3,204 2,207 3,209 1,211 1,212 6,217 2,220 2,222 2,223 1,224 4,227 1,229 4,232 4,234 3,236 2,239 1,240 2,245 2,250 2,253 2,254 1,257 1,268 2,275 610,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.762,282 14.563,283 8.34,284 15.113,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.794,291 12.292,292 3.808,293 12.411,294 3.633,295 1.384,296 0.744,297 0.622,298 0.622,299 0.622,300 3.822,303 1,304 1,305 1,306 340,307 2.828,310 42.346,311 114.652,314 80.972,318 1.091,319 22.883,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 162,332 4.76,333 3.38,334 7.039,335 4.302,336 3.338,337 4.732,338 0.86,339 12.087,340 3.218,341 4.239,342 3.114,343 6.203,344 3.816,345 2.861,346 3.899,348 9.116,349 2.728,350 3.818,351 2.679,352 6.004,353 3.491,354 2.54,355 3.216,357 8.33,358 2.409,359 3.69,360 2.427,361 5.688,362 3.287,363 2.336,364 3.096,366 7.355,367 2.216,368 3.031,369 1.982,370 4.819,371 2.683,372 1.743,373 2.249,375 4.818,376 1.636,377 2.984,378 1.822,379 4.469,380 2.474,381 1.539,382 2.127,384 4.123,385 1.433,386 2.881,387 1.535,388 4.202,389 2.439,390 1.503,391 2.018,393 3.827,394 1.4,395 2.521,396 1.079,397 3.861,398 2.007,399 1.062,400 1.531,402 2.759,403 1.001,404 2.127,405 0.941,406 3.491,407 1.777,408 0.815,409 1.033,411 2.05,412 0.782,413 1.718,414 0.856,415 2.879,416 1.407,417 0.525,418 0.608,420 0.884,421 0.459,422 1.125,423 0.282,424 2.693,425 0.78,426 -0.132,427 -0.157,428 -0.255,429 -0.119,430 1.047,431 -0.161,432 2.425,433 0.599,434 -0.309,435 -0.396,436 -0.707,437 -0.28,438 0.648,439 -0.539,440 2.257,441 0.178,442 -0.759,443 -1,445 -2,446 -0.705,447 0.577,448 -0.745,449 2.199,450 0.103,451 -0.849,452 -1.002,454 -2.058,455 -0.798,456 0.215,457 -0.897,458 2,460 -1,461 -1.141,463 -2.325,464 -0.995,465 10.167,466 0.462,467 0.648,468 0.029,469 30.25,470 1.375,471 15.5,472 0.705,473 14.75,474 0.67,475 16.359,476 0.744,477 24.033,478 0.616,479 21.808,480 0.991,481 5.957,482 0.271,483 4.567,484 0.208,485 0.22,487 0.433,493 0.961,494 1.334,495 0.787,496 1.105,497 1.083,498 0.941,499 0.961,500 1.049,501 0.679,502 0.839,503 0.654,504 0.727,505 0.991,506 1.26,507 0.863,508 0.995,509 0.812,510 0.905,511 0.997,512 0.997,513 0.974,514 0.969,515 0.961,516 0.964,517 1.055,518 1.079,519 1.164,520 1.048,521 1.009,522 1.104,523 0.71,524 1.35,525 1.07,526 1.341,527 0.752,528 1.28,529 0.826,530 0.901,531 1.142,532 1.069,533 1.065,534 1.136,535 0.816,536 0.829,537 0.854,538 0.982,539 0.58,540 0.95,541 4.5,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.458,549 0.209,550 0.031,551 4137,552 12090,553 2.017,554 43.6,556 7,558 1,559 3,561 6,564 1.653,565 1.833,566 2.92,567 1.114,568 1,569 1,571 1,573 64.431,574 1.652,575 3.901,576 4.541,577 4.663,578 4.663,579 4.663,580 2.244,581 4.096,582 4.431,583 3.037,584 701.588,585 7.655,586 7470.94,587 1,588 1,590 1,591 206.131,592 1.544,593 4.36,594 0.188,596 0.089,597 0.057,598 0.051,599 0.03,600 0.02,601 0.023,602 0.015,603 0.005,604 0.478,605 0.67,606 1,607 1.003,608 98.25,609 -0.08,610 -0.102,611 0.034,612 -0.031,613 -0.202,614 0.014,615 -0.001,616 0.065,617 0.228,618 0.178,619 0.08,620 0.231,621 -0.004,622 -0.131,623 0.043,624 -0.007,625 0.077,626 0.028,627 -0.047,628 0.079,629 -0.039,630 -0.006,631 -0.042,632 -0.024,633 -0.18,634 -0.02,635 -0.239,636 -0.069,637 -0.158,638 -0.146,639 0.044,640 -0.291,641 -0.168,642 -0.332,643 0.014,644 -0.298,645 0.093,646 0.042,647 -0.143,648 -0.141,649 -0.105,650 -0.172,651 0.226,652 -0.067,653 0.22,654 -0.015,655 0.387,656 0.081,657 1.594,658 3.743,659 0.682,660 14.818,661 1.012,662 1.139,663 2.656,664 7.052,665 0.654,666 3.219,667 3.584,668 3.912,669 4.22,670 4.477,671 4.605,672 4.682,673 4.787,674 4.745,675 4.635,676 4.745,677 0.633,678 299.37,679 3.219,680 4.779,681 5.659,682 6.569,683 7.476,684 8.394,685 9.31,686 10.232,687 11.151,688 12.075,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 39,733 16,734 1,735 24,737 41,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 4,777 1,778 1,781 17,782 6,783 3,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 22,849 1,853 1,856 1,858 1,870 5.1,872 1,875 1,877 12,878 7.917,879 4.861,880 2.205,881 3.155,882 1.453,883 0.95,884 3.726,885 10.117,886 3.497,887 4.186,888 4.882,889 5.555,890 6.142,891 6.55,892 6.98,893 7.429,894 7.679,895 7.931,896 0.8,897 38,898 8.067,900 3.407,901 7.841,902 15.12,904 12.138,905 2.341,906 51.5,910 164.795,911 83.383,912 84.908,914 53.683,917 83.383,918 218.479,919 84.908,920 28.533,922 61.326,923 106.404,924 35.154,925 2.328,926 153.024,928 164.795,929 168.291,930 53.683,933 94.169,934 124.31,937 32.518,938 85.539,939 50.234,941 164.795,942 138.591,943 83.383,946 164.795,947 17.802,948 67.357,950 136.814,951 164.795,952 138.591,953 83.383,955 0.59,956 0.363,957 0.201,958 0.114,959 18,960 9,961 0.073,962 3,963 1,964 1.133,965 3.227,966 181.529,967 0.133,968 15,969 96.107,974 14.755,975 5.555,976 2.44,977 1.383,978 136.814,979 6.471,980 12.979,984 2.267,985 1.808,986 75.581,987 386.769,988 32,999 39.465,1000 44.402,1001 0.313,1002 0.738,1003 0.859,1004 0.882,1005 0.882,1006 0.882,1007 4.745,1008 1.062,1009 5.68,1010 3.827,1011 4.263,1012 4.871,1013 0.908,1014 6.567,1015 4.162,1016 5.996,1017 0.815,1018 7.292,1019 2.759,1020 4.007,1021 4.856,1023 7.633,1024 3.871,1025 7.34,1026 0.525,1027 9.006,1028 2.05,1029 5.927,1030 7.211,1031 0.739,1032 10.774,1033 5.745,1034 8.726,1035 -0.132,1036 10.777,1037 0.884,1038 6.479,1039 8.036,1041 12.671,1042 6.26,1043 10.146,1044 -0.309,1045 12.584,1046 -0.255,1047 7.912,1048 9.887,1049 0.593,1050 15.356,1051 7.657,1052 11.591,1053 -0.759,1054 14.417,1055 -0.707,1056 8.817,1057 11.101,1059 17.597,1060 8.525,1061 13.055,1062 -0.849,1063 16.269,1064 -2,1065 10.077,1066 12.758,1067 0.469,1068 20.138,1069 9.753,1070 3.338,1071 -1,1072 18.136,1073 -2.058,1074 11.14,1075 14.153,1077 22.524,1078 10.778,1079 2.861,1080 12.087,1081 20.014,1082 -2.325,1083 12.342,1084 15.735,1085 0.366,1086 25.022,1087 11.948,1088 2.54,1089 9.116,1090 21.902,1091 4.732,1092 13.474,1093 17.214,1095 27.469,1096 13.044,1097 2.336,1098 8.33,1099 23.798,1100 3.899,1101 14.662,1102 18.77,1103 0.283,1104 29.958,1105 14.198,1106 1.743,1107 7.355,1108 25.701,1109 3.216,1110 15.826,1111 20.287,1113 32.429,1114 15.327,1115 1.539,1116 4.818,1117 27.611,1118 3.096,1119 17.013,1120 21.835,1121 0.217,1122 34.917,1123 16.48,1124 1.503,1125 4.123,1126 29.525,1127 2.249,1128 18.194,1129 23.37,1131 37.4,1132 17.625,1133 4176,1134 7252,1135 15.433,1136 25.506,1137 36.872,1138 37.096,1139 39.052,1140 36.531,1141 36.523,1142 49.016,1143 1.72,1144 110.7,1145 34.561,1146 5.44,1147 5.38,1148 6.567,1149 5.375,1150 5.338,1151 7.732,1152 1.72,1153 19.553,1154 5.218,1155 12.753,1156 1.536,1157 1.546,1158 1.627,1159 1.522,1160 1.522,1161 2.042,1162 0.072,1163 4.612,1164 1.44,1165 4.133,1166 4.179,1167 4.116,1168 3.993,1169 6.47,1170 4.016,1171 3.849,1172 3.869,1173 3.805,1174 3.731,1175 5.255,1176 3.747,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.881,1182 3.399,1183 3.277,1184 3.341,1185 3.164,1186 3.021,1187 4.741,1188 3.051,1189 3.175,1190 3.257,1191 3.017,1192 2.923,1193 4.512,1194 2.934,1195 3.006,1196 3.111,1197 2.885,1198 2.696,1199 4.304,1200 2.735,1201 2.874,1202 3.009,1203 2.719,1204 2.638,1205 4.045,1206 2.633,1207 2.834,1208 2.887,1209 2.564,1210 2.618,1211 3.686,1212 2.575,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 3.38,1221 0.036,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1228 0.86,1229 12.087,1230 3.218,1231 1.924,1232 1.907,1233 1.991,1234 2.039,1235 1.153,1236 2.019,1237 1.794,1238 1.748,1239 1.944,1240 1.986,1241 1.108,1242 1.971,1243 1.61,1244 1.547,1245 1.77,1246 1.814,1247 0.829,1248 1.811,1249 1.215,1250 1.153,1251 1.571,1252 1.521,1253 0.574,1254 1.536,1255 1.115,1256 1.048,1257 1.417,1258 1.396,1259 0.469,1260 1.369,1261 0.934,1262 0.804,1263 1.256,1264 1.239,1265 0.255,1266 1.308,1267 0.879,1268 0.789,1269 1.155,1270 1.233,1271 0.141,1272 1.214,1273 0.79,1274 0.722,1275 1.06,1276 1.08,1277 0.034,1278 1.062,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 5.541,1293 6.023,1294 9.743,1297 5.157,1299 0.129,1305 24.697,1306 64.431,1307 152.157,1308 177.111,1309 181.866,1310 181.866,1311 181.866,1312 34.685,1313 6.961,1314 99.08,1315 99.08,1316 17,1317 12.582,1318 4.087,1319 3.17,1320 34.146,1321 61,1322 62,1323 0.282,1324 153.948,1325 252.38,1326 367.392,1327 8101,1329 15.853,1330 0.721,1331 0.573,1332 15.853,1333 12.608,1334 10.524,1335 0.439,1336 0.287,1337 6.751,1338 9.98,1339 6.505,1340 5.467,1341 10.524,1342 6.886,1343 9.676,1344 0.276,1345 0.149,1346 9.676,1347 5.231,1348 8.326,1349 0.17,1350 0.071,1351 8.326,1352 3.46,1353 7.05,1354 0.105,1355 0.036,1356 7.05,1357 2.382,1358 5.768,1359 0.066,1360 0.019,1361 5.768,1362 1.623,1363 0.419,1364 66.98,1365 0.255,1366 20.946,1367 0.853,1368 118,1369 365.778,1370 132.418,1371 353.071,1372 490.11,1373 330,1374 143,1375 375.869,1376 158.724,1377 379.696,1378 557.83,1379 355,1380 6.585}
{0 CHEMBL1242113,1 1.683,2 7.905,3 1.765,4 3.115,5 80.302,6 7.926,7 0.696,8 3.722,9 3.844,10 3.332,11 3.177,12 4.949,13 3.2,14 4.195,15 4.369,16 3.69,17 3.532,18 5.36,19 3.549,20 4.332,21 4.503,22 3.796,23 3.639,24 5.565,25 3.653,26 4.412,27 4.591,28 3.748,29 3.678,30 5.637,31 3.661,32 4.449,33 4.665,34 3.541,35 3.639,36 5.557,37 3.572,38 4.364,39 4.601,40 3.444,41 3.502,42 5.465,43 3.431,44 4.282,45 4.536,46 3.232,47 3.304,48 5.448,49 3.209,50 4.081,51 4.354,52 2.862,53 2.966,54 5.167,55 2.86,56 0.116,57 0.573,58 6.913,59 2.795,60 11.931,61 3.552,62 0.283,63 0.855,64 12.979,65 4.416,66 21.697,67 5.889,68 0.359,69 0.97,70 14.799,71 4.767,72 29.706,73 6.581,74 0.383,75 1.034,76 15.998,77 5.354,78 32.799,79 7.157,80 0.392,81 0.988,82 18.008,83 5.603,84 40.556,85 8.053,86 0.357,87 0.874,88 17.116,89 5.175,90 32.532,91 7.789,92 0.428,93 0.717,94 16.805,95 4.901,96 48.031,97 7.431,98 0.431,99 0.501,100 15.134,101 4.101,102 43.916,103 6.06,104 21,105 33,106 0.305,107 0.721,108 0.844,109 0.868,110 0.868,111 0.868,112 3.105,113 0.847,114 -3.63,115 -3.6,116 -3.43,119 38.9,120 1,124 1,125 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 3,185 1,186 1,187 6,190 1,192 2,195 3,198 2,199 7,201 3,202 3,204 2,207 2,209 1,212 5,215 1,217 3,220 1,222 2,223 1,224 4,227 1,229 2,232 2,234 2,236 1,240 2,241 1,244 1,245 1,249 2,252 1,253 1,255 1,263 1,275 538,276 14.309,277 14.309,278 14.309,279 14.309,280 14.309,281 12.401,282 12.981,283 8.174,284 14.797,285 11.192,286 11.192,287 11.192,288 11.192,289 11.192,290 8.211,291 9.792,292 3.65,293 11.859,294 3.487,295 1.188,296 0.507,297 0.375,298 0.375,299 0.375,300 3.781,303 1,304 1,305 1,306 352,307 2.449,310 40.531,311 109.414,314 77.407,318 1.166,319 22.455,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46.5,331 166,332 4.745,333 3.347,334 7.001,335 4.279,336 3.313,337 4.723,338 0.86,339 11.951,340 3.201,341 4.233,342 3.104,343 6.13,344 3.801,345 2.847,346 3.895,348 8.925,349 2.712,350 3.728,351 2.5,352 5.87,353 3.337,354 2.387,355 3.145,357 7.956,358 2.258,359 3.674,360 2.42,361 5.574,362 3.244,363 2.305,364 3.093,366 7.055,367 2.16,368 3.01,369 1.933,370 4.506,371 2.473,372 1.546,373 2.251,375 4.273,376 1.429,377 2.847,378 1.562,379 4.462,380 2.41,381 1.468,382 1.978,384 3.975,385 1.377,386 2.777,387 1.511,388 4.147,389 2.359,390 1.414,391 1.876,393 3.646,394 1.331,395 2.485,396 1.144,397 3.67,398 1.982,399 1.052,400 1.479,402 2.556,403 0.975,404 1.771,405 0.927,406 2.953,407 1.468,408 0.581,409 0.672,411 1.004,412 0.51,413 1.513,414 0.394,415 2.771,416 1.312,417 0.341,418 0.388,420 0.516,421 0.33,422 1.046,423 0.199,424 2.597,425 0.648,426 -0.26,427 -0.31,428 -0.475,429 -0.232,430 0.966,431 -0.17,432 2.394,433 0.585,434 -0.32,435 -0.4,436 -0.693,437 -0.288,438 0.772,439 -0.44,440 2.259,441 0.342,442 -0.611,443 -0.801,445 -1.675,446 -0.578,447 0.567,448 -0.781,449 2.133,450 0.085,451 -0.853,452 -1.127,454 -2.089,455 -0.796,456 0.182,457 -0.961,458 1.901,459 -0.169,460 -1.126,461 -1.405,463 -3.151,464 -1.069,465 9.667,466 0.46,467 0.521,468 0.025,469 29.75,470 1.417,471 15.5,472 0.738,473 14.25,474 0.679,475 13.983,476 0.666,477 22.733,478 0.631,479 20.975,480 0.999,481 5.977,482 0.285,483 4.174,484 0.199,485 0.179,487 0.403,493 0.973,494 1.323,495 0.762,496 1.079,497 1.073,498 0.906,499 1.007,500 1,501 0.702,502 0.806,503 0.687,504 0.709,505 0.968,506 1.222,507 0.789,508 0.943,509 0.842,510 0.835,511 1.054,512 1.096,513 1.082,514 1.116,515 1.004,516 1.108,517 1.027,518 1.142,519 1.188,520 1.13,521 1.155,522 1.176,523 0.767,524 1.106,525 1.023,526 1.124,527 0.934,528 1.113,529 0.721,530 0.95,531 1.018,532 1.121,533 0.885,534 1.127,535 1.098,536 0.694,537 1.007,538 0.896,539 1.369,540 0.943,541 4,542 0.012,543 2.889,544 2.042,545 1.642,546 0.695,547 0.485,548 0.339,549 0.158,550 0.046,551 3774,552 11429,553 2.045,554 41.7,556 8,558 1,559 3,561 3,564 1.638,565 1.881,566 2.967,567 1.156,568 1,569 1,571 1,573 60.601,574 1.683,575 3.982,576 4.663,577 4.795,578 4.795,579 4.795,580 2.453,581 3.975,582 4.362,583 3.074,584 645.599,585 7.505,586 6589.71,587 1,588 1,590 1,591 186.117,592 1.51,593 4.305,594 0.174,595 0.006,596 0.088,597 0.057,598 0.05,599 0.027,600 0.021,601 0.02,602 0.014,603 0.008,604 0.464,605 0.67,606 1,607 0.988,608 92.519,609 -0.099,610 -0.107,611 0.029,612 -0.03,613 -0.204,614 0.017,615 -0.043,616 0.109,617 0.188,618 0.194,619 0.041,620 0.229,621 0.009,622 -0.114,623 0.1,624 0.044,625 0.073,626 0.09,627 -0.093,628 0.021,629 -0.197,630 -0.15,631 -0.068,632 -0.198,633 -0.163,634 -0.12,635 -0.26,636 -0.154,637 -0.145,638 -0.215,639 0.035,640 -0.121,641 -0.067,642 -0.158,643 -0.038,644 -0.131,645 0.222,646 -0.052,648 -0.166,649 0.175,650 -0.131,651 0.136,652 0.074,653 0.107,654 0.053,655 0.014,656 0.07,657 1.621,658 3.936,659 0.714,660 14.363,661 1.016,662 1.139,663 2.399,664 5.757,665 0.66,666 3.178,667 3.526,668 3.871,669 4.174,670 4.407,671 4.511,672 4.595,673 4.682,674 4.663,675 4.543,676 4.735,677 0.644,678 285.34,679 3.178,680 4.727,681 5.609,682 6.515,683 7.419,684 8.333,685 9.244,686 10.161,687 11.077,688 11.996,689 13.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 36,733 16,734 1,735 23,737 38,738 14,739 11,740 3,741 3,746 3,747 4,752 1,761 11,762 3,777 1,778 1,781 15,782 6,783 3,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 21,849 1,853 1,854 1,856 1,870 5.6,872 1,875 1,877 11.167,878 7.083,879 4.75,880 2.072,881 3.162,882 1.46,883 0.965,884 3.492,885 10.037,886 3.466,887 4.155,888 4.859,889 5.528,890 6.103,891 6.493,892 6.927,893 7.368,894 7.629,895 7.871,896 1,897 36,898 7.693,900 3.248,901 7.865,902 14.363,904 11.455,905 2.365,906 49.667,910 141.253,911 76.663,912 84.908,914 53.683,917 76.663,918 194.936,919 84.908,920 19.708,921 2.106,922 61.326,923 106.404,924 35.154,925 2.328,926 129.482,928 141.253,929 161.571,930 53.683,933 105.94,934 88.997,937 25.798,938 85.539,939 50.234,941 141.253,942 138.591,943 76.663,946 141.253,947 19.908,948 58.532,950 136.814,951 141.253,952 138.591,953 76.663,955 0.581,956 0.369,957 0.208,958 0.112,959 17,960 8,961 0.079,962 3,963 1,964 1.133,965 3.192,966 168.664,967 0.133,968 15,969 92.239,974 13.798,975 5.314,976 2.224,977 1.36,978 136.814,979 6.502,980 12.778,984 2.187,985 1.754,986 75.581,987 356.508,988 31,999 36.582,1000 40.986,1001 0.326,1002 0.77,1003 0.902,1004 0.927,1005 0.927,1006 0.927,1007 4.7,1008 1.052,1009 5.617,1010 3.646,1011 4.205,1012 4.84,1013 0.908,1014 6.497,1015 4.101,1016 5.948,1017 0.581,1018 7.222,1019 2.556,1020 3.892,1021 4.808,1023 7.548,1024 3.751,1025 7.292,1026 0.341,1027 8.928,1028 1.004,1029 5.861,1030 7.19,1031 0.739,1032 10.688,1033 5.678,1034 8.679,1035 -0.26,1036 10.694,1037 0.516,1038 6.382,1039 8.009,1041 12.578,1042 6.164,1043 10.099,1044 -0.32,1045 12.496,1046 -0.475,1047 7.835,1048 9.869,1049 0.593,1050 15.256,1051 7.584,1052 11.545,1053 -0.611,1054 14.325,1055 -0.693,1056 8.726,1057 11.08,1059 17.491,1060 8.44,1061 13.01,1062 -0.853,1063 16.173,1064 -1.675,1065 9.992,1066 12.739,1067 0.469,1068 20.025,1069 9.677,1070 3.313,1071 -1.126,1072 18.036,1073 -2.089,1074 11.047,1075 14.133,1077 22.405,1078 10.697,1079 2.847,1080 11.951,1081 19.911,1082 -3.151,1083 12.249,1084 15.715,1085 0.366,1086 24.895,1087 11.87,1088 2.387,1089 8.925,1090 21.796,1091 4.723,1092 13.376,1093 17.192,1095 27.334,1096 12.963,1097 2.305,1098 7.956,1099 23.689,1100 3.895,1101 14.56,1102 18.747,1103 0.283,1104 29.813,1105 14.117,1106 1.546,1107 7.055,1108 25.589,1109 3.145,1110 15.719,1111 20.262,1113 32.276,1114 15.243,1115 1.468,1116 4.273,1117 27.496,1118 3.093,1119 16.901,1120 21.809,1121 0.217,1122 34.754,1123 16.394,1124 1.414,1125 3.975,1126 29.408,1127 2.251,1128 18.075,1129 23.341,1131 37.226,1132 17.535,1133 3789,1134 6698,1135 15.027,1136 23.745,1137 34.612,1138 34.85,1139 36.975,1140 34.547,1141 34.508,1142 47.001,1143 1.72,1144 103.713,1145 32.567,1146 5.419,1147 5.347,1148 6.542,1149 5.351,1150 5.313,1151 7.723,1152 1.72,1153 19.315,1154 5.201,1155 11.115,1156 1.505,1157 1.515,1158 1.608,1159 1.502,1160 1.5,1161 2.044,1162 0.075,1163 4.509,1164 1.416,1165 4.127,1166 4.173,1167 4.11,1168 3.988,1169 6.47,1170 4.011,1171 3.846,1172 3.867,1173 3.803,1174 3.726,1175 5.255,1176 3.743,1177 3.49,1178 3.579,1179 3.367,1180 3.276,1181 4.878,1182 3.275,1183 3.281,1184 3.341,1185 3.149,1186 3.035,1187 4.749,1188 3.06,1189 3.117,1190 3.212,1191 2.933,1192 2.854,1193 4.515,1194 2.861,1195 2.993,1196 3.102,1197 2.855,1198 2.746,1199 4.278,1200 2.749,1201 2.93,1202 2.97,1203 2.803,1204 2.679,1205 3.921,1206 2.713,1207 2.707,1208 2.783,1209 2.541,1210 2.525,1211 3.683,1212 2.523,1213 0.206,1214 0.146,1215 0.304,1216 0.186,1217 0.144,1218 4.745,1219 0.205,1220 3.347,1221 0.037,1222 7.001,1223 0.52,1224 4.279,1225 0.139,1226 3.313,1227 4.723,1228 0.86,1229 11.951,1230 3.201,1231 1.924,1232 1.907,1233 1.99,1234 2.034,1235 1.124,1236 2.016,1237 1.777,1238 1.734,1239 1.892,1240 1.974,1241 1.048,1242 1.951,1243 1.533,1244 1.458,1245 1.749,1246 1.773,1247 0.814,1248 1.769,1249 1.22,1250 1.157,1251 1.568,1252 1.518,1253 0.573,1254 1.534,1255 1.065,1256 0.982,1257 1.263,1258 1.361,1259 0.289,1260 1.35,1261 0.883,1262 0.839,1263 1.149,1264 1.21,1265 0.166,1266 1.192,1267 0.86,1268 0.767,1269 1.113,1270 1.135,1271 0.107,1272 1.13,1273 0.77,1274 0.664,1275 1.072,1276 1.067,1278 1.076,1279 3.85,1281 5.187,1282 2.398,1283 6.739,1284 4.844,1285 8.388,1286 7.066,1287 10.087,1289 3.474,1293 5.965,1294 9.936,1295 0.662,1297 5.048,1305 23.171,1306 60.601,1307 143.362,1308 167.853,1309 172.608,1310 172.608,1311 172.608,1312 31.002,1313 6.875,1314 99.08,1315 99.08,1316 17,1317 12.506,1318 4.087,1319 3.17,1320 31.971,1321 58,1322 68,1323 0.278,1324 144.355,1325 235.08,1326 343.987,1327 7354,1329 14.983,1330 0.713,1331 0.559,1332 14.983,1333 11.738,1334 10.151,1335 0.441,1336 0.282,1337 6.359,1338 9.601,1339 6.186,1340 5.166,1341 10.151,1342 6.497,1343 8.936,1344 0.271,1345 0.137,1346 8.936,1347 4.509,1348 8.065,1349 0.172,1350 0.07,1351 8.065,1352 3.31,1353 6.925,1354 0.108,1355 0.036,1356 6.925,1357 2.29,1358 5.458,1359 0.067,1360 0.019,1361 5.458,1362 1.5,1363 0.416,1364 64.781,1365 0.258,1366 20.217,1367 0.83,1368 112,1369 359.778,1370 126.085,1371 346.102,1372 480.01,1373 324,1374 136,1375 366.517,1376 151.391,1377 369.283,1378 543.11,1379 346,1380 6.559}
{0 CHEMBL1242114,1 1.652,2 8,3 2.142,4 4.589,5 84.72,6 7.676,7 0.667,8 3.789,9 3.914,10 3.373,11 3.248,12 4.993,13 3.26,14 4.277,15 4.457,16 3.747,17 3.611,18 5.409,19 3.618,20 4.444,21 4.623,22 3.857,23 3.739,24 5.644,25 3.739,26 4.571,27 4.782,28 3.827,29 3.792,30 5.733,31 3.759,32 4.55,33 4.766,34 3.639,35 3.759,36 5.64,37 3.688,38 4.47,39 4.694,40 3.586,41 3.66,42 5.573,43 3.586,44 4.473,45 4.726,46 3.353,47 3.513,48 5.615,49 3.401,50 4.327,51 4.623,52 3.011,53 3.202,54 5.329,55 3.061,56 0.104,57 0.611,58 7.888,59 3.119,60 12.244,61 4.107,62 0.264,63 0.923,64 14.66,65 4.966,66 23.352,67 6.859,68 0.359,69 1.079,70 17.254,71 5.365,72 30.096,73 7.714,74 0.427,75 1.167,76 20.664,77 6.38,78 39.87,79 9.143,80 0.394,81 1.106,82 20.301,83 6.227,84 43.089,85 9.154,86 0.315,87 1.006,88 18.734,89 6.046,90 30.315,91 9.078,92 0.471,93 0.89,94 20.222,95 5.805,96 57.076,97 8.926,98 0.449,99 0.635,100 19.59,101 5.549,102 47.924,103 8.458,104 30,105 35,106 0.294,107 0.695,108 0.809,109 0.831,110 0.831,111 0.831,112 3.148,113 0.861,114 -3.89,115 -3.84,116 -3.65,119 38.5,120 2,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 8,177 1,178 1,180 2,183 4,185 1,186 1,187 7,190 1,192 2,195 3,198 2,199 8,201 3,202 3,204 2,207 3,209 1,212 5,215 1,217 3,220 2,222 2,223 1,224 5,227 1,229 3,232 4,234 3,236 1,240 2,241 1,244 1,245 2,249 2,252 1,253 1,255 2,263 2,275 614,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.762,282 14.563,283 8.336,284 15.113,285 11.738,286 11.738,287 11.738,288 11.738,289 11.738,290 8.794,291 12.292,292 3.803,293 12.411,294 3.633,295 1.384,296 0.744,297 0.622,298 0.622,299 0.622,300 3.822,303 1,304 1,305 1,306 371,307 2.828,310 43.076,311 115.366,314 82.187,318 1.182,319 23.053,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 176,332 4.76,333 3.379,334 7.039,335 4.302,336 3.338,337 4.732,338 0.86,339 12.087,340 3.218,341 4.238,342 3.112,343 6.197,344 3.813,345 2.858,346 3.897,348 9.078,349 2.726,350 3.819,351 2.683,352 6.004,353 3.493,354 2.542,355 3.217,357 8.342,358 2.41,359 3.697,360 2.447,361 5.697,362 3.295,363 2.344,364 3.102,366 7.397,367 2.222,368 3.033,369 1.938,370 4.82,371 2.684,372 1.743,373 2.256,375 4.818,376 1.636,377 2.989,378 1.818,379 4.502,380 2.471,381 1.542,382 2.127,384 4.244,385 1.428,386 2.847,387 1.532,388 4.148,389 2.408,390 1.461,391 1.978,393 3.648,394 1.377,395 2.532,396 1.145,397 3.86,398 2.018,399 1.077,400 1.545,402 2.764,403 1.01,404 2.134,405 0.975,406 3.493,407 1.795,408 0.836,409 1.046,411 2.067,412 0.798,413 1.762,414 0.818,415 2.952,416 1.444,417 0.56,418 0.654,420 0.985,421 0.491,422 1.062,423 0.199,424 2.597,425 0.652,426 -0.257,427 -0.308,428 -0.474,429 -0.23,430 0.966,431 -0.15,432 2.423,433 0.591,434 -0.311,435 -0.389,436 -0.695,437 -0.279,438 0.773,439 -0.438,440 2.265,441 0.342,442 -0.611,443 -0.8,445 -1.676,446 -0.578,447 0.587,448 -0.768,449 2.233,450 0.089,451 -0.846,452 -1,454 -2,455 -0.785,456 0.189,457 -0.959,458 2,460 -1,461 -1.139,463 -2.339,464 -1,465 10.167,466 0.462,467 0.648,468 0.029,469 30.25,470 1.375,471 15.5,472 0.705,473 14.75,474 0.67,475 16.292,476 0.741,477 24.033,478 0.616,479 21.785,480 0.99,481 5.957,482 0.271,483 4.567,484 0.208,485 0.22,487 0.433,493 0.961,494 1.334,495 0.787,496 1.105,497 1.083,498 0.941,499 0.961,500 1.049,501 0.679,502 0.839,503 0.654,504 0.727,505 0.991,506 1.26,507 0.863,508 0.995,509 0.821,510 0.905,511 0.997,512 0.997,513 0.974,514 0.969,515 0.932,516 0.964,517 1.058,518 1.115,519 1.201,520 1.099,521 1.167,522 1.155,523 0.715,524 1.237,525 1.018,526 1.227,527 0.857,528 1.18,529 0.805,530 0.975,531 1.16,532 1.159,533 1.032,534 1.206,535 0.868,536 0.694,537 0.86,538 0.885,539 1.07,540 0.885,541 4.5,542 0.012,543 3.111,544 2.167,545 1.847,546 0.889,547 0.566,548 0.386,549 0.204,550 0.066,551 4197,552 12186,553 2.017,554 43.6,556 7,558 1,559 3,561 6,564 1.652,565 1.833,566 2.976,567 1.114,568 1,569 1,571 1,573 64.431,574 1.652,575 3.901,576 4.541,577 4.663,578 4.663,579 4.663,580 2.461,581 4.278,582 4.429,583 3.1,584 716.165,585 7.646,586 7561.51,587 1,588 1,590 1,591 206.131,592 1.544,593 4.36,594 0.188,595 0.004,596 0.089,597 0.057,598 0.051,599 0.031,600 0.021,601 0.02,602 0.016,603 0.009,604 0.486,605 0.67,606 1,607 1.003,608 98.516,609 -0.08,610 -0.102,611 0.034,612 -0.031,613 -0.202,614 0.014,615 -0.001,616 0.065,617 0.228,618 0.178,619 0.08,620 0.231,621 -0.004,622 -0.131,623 0.043,624 -0.007,625 0.067,626 0.028,627 -0.047,628 0.079,629 -0.039,630 -0.006,631 -0.013,632 -0.024,633 -0.184,634 -0.058,635 -0.277,636 -0.121,637 -0.164,638 -0.199,639 0.053,640 -0.209,641 -0.093,642 -0.231,643 0.004,644 -0.195,645 0.119,646 -0.025,647 -0.171,648 -0.218,649 0.03,650 -0.24,651 0.208,652 0.057,653 0.226,654 0.072,655 0.132,656 0.142,657 1.623,658 3.988,659 0.682,660 15.355,661 1.012,662 1.139,663 2.656,664 7.052,665 0.654,666 3.219,667 3.584,668 3.912,669 4.22,670 4.466,671 4.605,672 4.682,673 4.771,674 4.754,675 4.673,676 4.839,677 0.633,678 299.37,679 3.219,680 4.779,681 5.659,682 6.569,683 7.475,684 8.393,685 9.308,686 10.23,687 11.148,688 12.072,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 39,733 16,734 1,735 24,737 41,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 4,777 1,778 1,781 17,782 6,783 3,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 22,849 1,853 1,856 1,858 1,870 5.1,872 1,875 1,877 12,878 7.917,879 4.861,880 2.205,881 3.147,882 1.452,883 0.95,884 3.726,885 10.109,886 3.497,887 4.186,888 4.882,889 5.555,890 6.137,891 6.55,892 6.98,893 7.422,894 7.685,895 7.948,896 1,897 38,898 8.07,900 3.412,901 7.841,902 15.12,904 12.138,905 2.341,906 51.5,910 164.795,911 83.383,912 84.908,914 53.683,917 83.383,918 218.479,919 84.908,920 28.533,922 61.326,923 106.404,924 35.154,925 2.328,926 153.024,928 164.795,929 168.291,930 53.683,933 94.169,934 124.31,937 32.518,938 85.539,939 50.234,941 164.795,942 138.591,943 83.383,946 164.795,947 17.802,948 67.357,950 136.814,951 164.795,952 138.591,953 83.383,955 0.59,956 0.363,957 0.201,958 0.111,959 18,960 9,961 0.073,962 3,963 1,964 1.133,965 3.238,966 180.985,967 0.133,968 15,969 96.107,974 14.755,975 5.555,976 2.44,977 1.355,978 136.814,979 6.521,980 12.935,984 2.175,985 1.796,986 75.581,987 386.769,988 32,999 39.465,1000 44.402,1001 0.313,1002 0.738,1003 0.859,1004 0.882,1005 0.882,1006 0.882,1007 4.745,1008 1.077,1009 5.68,1010 3.648,1011 4.263,1012 4.871,1013 0.908,1014 6.567,1015 4.162,1016 5.996,1017 0.836,1018 7.292,1019 2.764,1020 4.007,1021 4.856,1023 7.633,1024 3.871,1025 7.34,1026 0.56,1027 9.006,1028 2.067,1029 5.927,1030 7.211,1031 0.739,1032 10.773,1033 5.745,1034 8.726,1035 -0.257,1036 10.777,1037 0.985,1038 6.479,1039 8.036,1041 12.67,1042 6.26,1043 10.146,1044 -0.311,1045 12.584,1046 -0.474,1047 7.912,1048 9.887,1049 0.593,1050 15.354,1051 7.657,1052 11.591,1053 -0.611,1054 14.417,1055 -0.695,1056 8.817,1057 11.101,1059 17.595,1060 8.525,1061 13.055,1062 -0.846,1063 16.269,1064 -1.676,1065 10.077,1066 12.758,1067 0.469,1068 20.136,1069 9.752,1070 3.338,1071 -1,1072 18.135,1073 -2,1074 11.139,1075 14.153,1077 22.522,1078 10.777,1079 2.858,1080 12.087,1081 20.014,1082 -2.339,1083 12.341,1084 15.735,1085 0.366,1086 25.02,1087 11.947,1088 2.542,1089 9.078,1090 21.901,1091 4.732,1092 13.473,1093 17.214,1095 27.467,1096 13.043,1097 2.344,1098 8.342,1099 23.798,1100 3.897,1101 14.661,1102 18.77,1103 0.283,1104 29.956,1105 14.197,1106 1.743,1107 7.397,1108 25.701,1109 3.217,1110 15.825,1111 20.286,1113 32.428,1114 15.326,1115 1.542,1116 4.818,1117 27.61,1118 3.102,1119 17.012,1120 21.835,1121 0.217,1122 34.916,1123 16.479,1124 1.461,1125 4.244,1126 29.524,1127 2.256,1128 18.192,1129 23.369,1131 37.398,1132 17.624,1133 4232,1134 7326,1135 15.433,1136 25.506,1137 36.952,1138 36.994,1139 39.09,1140 36.612,1141 36.603,1142 49.11,1143 1.72,1144 110.861,1145 34.633,1146 5.438,1147 5.379,1148 6.58,1149 5.374,1150 5.338,1151 7.732,1152 1.72,1153 19.553,1154 5.218,1155 12.755,1156 1.54,1157 1.541,1158 1.629,1159 1.525,1160 1.525,1161 2.046,1162 0.072,1163 4.619,1164 1.443,1165 4.133,1166 4.179,1167 4.116,1168 3.992,1169 6.47,1170 4.016,1171 3.849,1172 3.87,1173 3.805,1174 3.731,1175 5.255,1176 3.747,1177 3.577,1178 3.654,1179 3.445,1180 3.406,1181 4.879,1182 3.399,1183 3.289,1184 3.351,1185 3.179,1186 3.039,1187 4.749,1188 3.068,1189 3.139,1190 3.233,1191 2.97,1192 2.861,1193 4.518,1194 2.873,1195 2.995,1196 3.102,1197 2.868,1198 2.746,1199 4.292,1200 2.75,1201 2.93,1202 3.009,1203 2.804,1204 2.683,1205 4.038,1206 2.719,1207 2.874,1208 2.97,1209 2.543,1210 2.618,1211 3.686,1212 2.57,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.76,1219 0.197,1220 3.379,1221 0.036,1222 7.039,1223 0.504,1224 4.302,1225 0.134,1226 3.338,1227 4.732,1228 0.86,1229 12.087,1230 3.218,1231 1.924,1232 1.907,1233 1.991,1234 2.038,1235 1.153,1236 2.019,1237 1.794,1238 1.748,1239 1.944,1240 1.986,1241 1.107,1242 1.971,1243 1.61,1244 1.548,1245 1.771,1246 1.815,1247 0.83,1248 1.812,1249 1.228,1250 1.168,1251 1.569,1252 1.525,1253 0.573,1254 1.537,1255 1.075,1256 0.992,1257 1.417,1258 1.379,1259 0.469,1260 1.356,1261 0.934,1262 0.839,1263 1.245,1264 1.239,1265 0.255,1266 1.308,1267 0.883,1268 0.804,1269 1.149,1270 1.21,1271 0.139,1272 1.19,1273 0.856,1274 0.764,1275 1.107,1276 1.133,1277 0.034,1278 1.13,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.447,1286 7.081,1287 10.147,1289 5.531,1293 6.01,1294 9.988,1297 5.065,1299 0.123,1305 24.697,1306 64.431,1307 152.157,1308 177.111,1309 181.866,1310 181.866,1311 181.866,1312 35.032,1313 6.961,1314 99.08,1315 99.08,1316 17,1317 12.579,1318 4.087,1319 3.17,1320 34.208,1321 62,1322 74,1323 0.278,1324 153.948,1325 252.38,1326 367.392,1327 8101,1329 15.853,1330 0.721,1331 0.573,1332 15.853,1333 12.608,1334 10.524,1335 0.439,1336 0.287,1337 6.751,1338 9.98,1339 6.505,1340 5.467,1341 10.524,1342 6.886,1343 9.676,1344 0.276,1345 0.149,1346 9.676,1347 5.231,1348 8.311,1349 0.17,1350 0.071,1351 8.311,1352 3.46,1353 7.137,1354 0.107,1355 0.036,1356 7.137,1357 2.395,1358 5.65,1359 0.066,1360 0.018,1361 5.65,1362 1.589,1363 0.415,1364 66.98,1365 0.255,1366 21.024,1367 0.832,1368 118,1369 365.778,1370 132.418,1371 353.071,1372 490.11,1373 330,1374 143,1375 375.869,1376 158.724,1377 379.696,1378 557.82,1379 355,1380 6.785}
{0 CHEMBL1242115,1 1.71,2 9.667,3 2.699,4 7.284,5 107.761,6 8.294,7 0.533,8 3.953,9 4.081,10 3.655,11 3.51,12 5.104,13 3.483,14 4.466,15 4.641,16 4.05,17 3.892,18 5.595,19 3.849,20 4.636,21 4.837,22 4.006,23 3.948,24 5.761,25 3.903,26 4.679,27 4.888,28 4.072,29 3.953,30 5.895,31 3.921,32 4.662,33 4.863,34 3.99,35 3.981,36 5.777,37 3.922,38 4.66,39 4.843,40 3.948,41 3.987,42 5.851,43 3.906,44 4.725,45 4.966,46 3.78,47 3.927,48 5.761,49 3.797,50 4.638,51 4.926,52 3.63,53 3.721,54 5.677,55 3.566,56 0.085,57 0.785,58 8.627,59 3.857,60 10.002,61 4.74,62 0.298,63 1.24,64 19.491,65 6.662,66 25.576,67 8.531,68 0.291,69 1.364,70 23.278,71 7.607,72 29.777,73 9.748,74 0.496,75 1.392,76 22.809,77 7.206,78 50.294,79 9.46,80 0.292,81 1.362,82 21.182,83 7.568,84 33.903,85 9.92,86 0.379,87 1.368,88 22.417,89 8.058,90 52.033,91 9.935,92 0.378,93 1.353,94 25.752,95 8.824,96 42.746,97 11.926,98 0.499,99 1.122,100 28.175,101 9.084,102 63.231,103 12.826,104 18,105 43,106 0.291,107 0.686,108 0.815,109 0.845,110 0.852,111 0.852,112 3.341,113 0.961,114 -4.66,115 -4.58,116 -4.31,119 39.1,120 2,125 2,127 1,142 4,143 3,146 1,147 1,148 1,158 1,159 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 9,177 1,178 3,180 3,183 8,185 1,186 1,187 7,192 2,195 5,198 3,199 12,201 3,202 3,204 3,207 5,209 1,212 10,217 3,220 5,222 2,223 1,224 10,227 1,229 5,232 6,234 4,236 1,237 3,240 1,242 1,245 5,247 1,249 3,250 2,252 1,253 3,254 1,257 1,258 3,262 1,263 3,268 2,275 1088,276 18.206,277 18.206,278 18.206,279 18.206,280 18.206,281 16,282 15.932,283 10.643,284 18.798,285 14.811,286 14.811,287 14.811,288 14.811,289 14.811,290 11.337,291 12.494,292 5.031,293 15.757,294 3.813,295 1.487,296 0.728,297 0.555,298 0.511,299 0.511,300 4.033,303 1,304 1,305 1,306 568,307 3.317,310 129.671,311 150.129,314 104.596,318 1.556,319 26.933,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 261,332 4.759,333 4.517,334 7.039,335 4.301,336 3.337,337 4.731,338 3.655,339 12.087,340 3.22,341 4.233,342 3.551,343 6.199,344 3.863,345 2.876,346 3.824,347 1.055,348 9.132,349 2.843,350 3.911,351 3.369,352 6.031,353 3.541,354 2.599,355 3.257,356 0.624,357 8.477,358 2.469,359 3.797,360 2.811,361 5.721,362 3.402,363 2.481,364 3.186,366 7.521,367 2.314,368 3.681,369 2.716,370 5.327,371 3.241,372 2.316,373 3.001,375 6.836,376 2.065,377 3.139,378 2.532,379 4.82,380 2.692,381 1.747,382 2.398,384 4.819,385 1.648,386 3.019,387 1.972,388 4.529,389 2.621,390 1.66,391 2.14,393 4.385,394 1.585,395 2.795,396 1.809,397 4.037,398 2.3,399 1.352,400 1.904,402 3.347,403 1.276,404 2.562,405 1.663,406 3.843,407 2.15,408 1.195,409 1.547,411 2.762,412 1.135,413 2.456,414 1.445,415 3.512,416 1.965,417 1,418 1.437,420 2.529,421 0.962,422 2.208,423 1.185,424 3.446,425 1.908,426 0.923,427 1.133,428 2.182,429 0.893,430 2.111,431 1,432 3.312,433 1.735,434 0.775,435 1.005,436 1.971,437 0.742,438 1.76,439 0.814,440 3,441 1.416,442 0.618,443 0.664,445 1.372,446 0.486,447 1.062,448 0.784,449 2.617,450 0.632,451 -0.285,452 -0.363,454 -0.667,455 -0.261,456 0.93,457 0.008,458 2.514,459 0.555,460 -0.401,461 -0.475,463 -1.036,464 -0.376,465 12.967,466 0.48,467 0.716,468 0.027,469 35.75,470 1.324,471 17.5,472 0.648,473 18.25,474 0.676,475 22.762,476 0.843,477 28.433,478 0.618,479 26.265,480 0.973,481 6.617,482 0.245,483 6.425,484 0.238,485 0.134,487 0.378,493 0.811,494 1.259,495 0.721,496 0.922,497 0.739,498 0.871,499 0.648,500 1.112,501 0.874,502 1.036,503 0.552,504 0.861,505 1.117,506 1.207,507 0.977,508 1.026,509 0.9,510 0.94,511 1.152,512 0.871,513 0.767,514 0.76,515 1.166,516 0.831,517 1.203,518 1.061,519 0.851,520 0.889,521 1.081,522 0.983,523 1.306,524 1.15,525 1.171,526 1.127,527 1.504,528 1.2,529 0.902,530 1.02,531 1.016,532 1.057,533 0.988,534 1.184,535 0.404,536 0.709,537 0.711,538 0.855,539 0.547,540 0.882,541 5,542 0.116,543 3.111,544 2.326,545 1.891,546 0.979,547 0.508,548 0.49,549 0.228,550 0.171,551 8480,552 24079,553 2.097,554 41.3,556 9,558 1,559 3,561 6,564 1.704,565 1.952,566 3.261,567 1.018,568 1,569 1,573 78.663,574 1.71,575 4.036,576 4.795,577 4.969,578 5.012,579 5.012,580 2.685,581 4.385,582 4.726,583 3.438,584 1206.62,585 8.224,586 15132.1,588 1,590 1,591 254.084,592 1.447,593 4.681,594 0.167,595 0.007,596 0.072,597 0.054,598 0.043,599 0.024,600 0.013,601 0.016,602 0.009,603 0.009,604 0.414,605 0.17,606 1,607 0.76,608 132.165,609 -0.046,610 -0.082,611 0.057,612 0.034,613 -0.103,614 0.031,615 0.213,617 0.106,618 -0.004,619 0.119,620 0.084,621 -0.131,622 -0.164,623 -0.068,624 -0.083,625 -0.011,626 -0.006,627 0.021,628 0.165,629 0.04,630 0.076,631 0.022,632 0.06,633 -0.212,634 -0.045,635 -0.067,636 -0.017,637 -0.083,638 -0.055,639 -0.215,640 -0.112,641 -0.285,642 -0.173,643 -0.196,644 -0.272,645 -0.048,646 -0.073,647 -0.133,648 -0.138,649 -0.136,650 -0.2,651 0.468,652 0.11,653 0.283,654 0.117,655 0.362,656 0.187,657 1.859,658 5.548,659 0.741,660 23.196,661 1.009,662 1.133,663 3.434,664 11.794,665 0.689,666 3.434,667 3.784,668 4.094,669 4.407,670 4.615,671 4.745,672 4.86,673 4.963,674 4.997,675 5.05,676 6,677 0.657,678 381.51,679 3.434,680 4.99,681 5.861,682 6.76,683 7.654,684 8.562,685 9.465,686 10.377,687 11.286,688 12.201,689 15.2,693 1,696 1,697 1,698 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,718 1,722 1,731 46,733 18,734 1,735 30,737 49,738 18,739 11,740 2,741 4,742 1,746 4,747 5,752 2,758 1,761 13,762 5,766 2,771 1,774 1,775 2,778 1,781 19,782 7,783 3,784 9,785 1,790 7,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,841 1,842 1,844 2,848 27,849 1,854 2,855 1,857 1,858 1,870 2.2,873 1,877 13.833,878 8.917,879 5.861,880 2.75,881 3.462,882 1.457,883 1.005,884 4.853,885 11.042,886 3.714,887 4.353,888 5.003,889 5.657,890 6.204,891 6.608,892 7.063,893 7.496,894 7.787,895 8.114,896 1,897 43,898 9.963,900 4.284,901 7.759,902 18.911,904 15.562,905 2.259,906 61,909 1,910 188.338,911 120.541,912 119.704,914 25.145,916 32.22,917 88.321,918 213.483,919 119.704,920 17.65,921 21.016,922 70.802,923 93.57,924 38.882,925 3.021,926 208.786,928 188.338,929 208.025,930 25.145,931 32.22,933 117.711,934 95.772,937 70.319,938 87.472,939 50.234,940 32.22,941 188.338,942 144.849,943 120.541,946 188.338,947 56.367,948 65.951,949 18.011,950 125.062,951 188.338,952 144.849,953 120.541,955 0.587,956 0.35,957 0.197,958 0.106,959 22,960 10,961 0.082,962 4,963 1,964 1.1,965 3.805,966 240.804,967 0.1,968 20,969 126.382,970 1,974 17.959,975 7.296,976 3.427,977 1.374,978 143.072,979 8.728,980 13.153,984 2.354,985 1.819,986 50.908,987 453.727,988 40,993 12.548,996 4.256,997 0.472,999 46.418,1000 52.109,1001 0.31,1002 0.731,1003 0.868,1004 0.9,1005 0.907,1006 0.907,1007 4.963,1008 1.352,1009 5.861,1010 4.385,1011 4.466,1012 5.04,1013 3.393,1014 6.715,1015 4.362,1016 6.19,1017 1.195,1018 7.446,1019 3.347,1020 4.111,1021 4.934,1022 1.998,1023 7.708,1024 3.994,1025 7.517,1026 1,1027 9.135,1028 2.762,1029 6.094,1030 7.31,1031 5.797,1032 10.857,1033 5.912,1034 8.885,1035 0.923,1036 10.885,1037 2.529,1038 6.581,1039 8.08,1040 4.966,1041 12.718,1042 6.388,1043 10.288,1044 0.775,1045 12.675,1046 2.182,1047 8.037,1048 9.932,1049 8.334,1050 15.398,1051 7.799,1052 11.717,1053 0.618,1054 14.494,1055 1.971,1056 8.901,1057 11.115,1058 7.845,1059 17.622,1060 8.647,1061 13.166,1062 -0.285,1063 16.334,1064 1.372,1065 10.165,1066 12.769,1067 10.885,1068 20.158,1069 9.876,1070 3.337,1071 -0.401,1072 18.19,1073 -0.667,1074 11.202,1075 14.15,1076 10.642,1077 22.537,1078 10.89,1079 2.876,1080 12.087,1081 20.06,1082 -1.036,1083 12.401,1084 15.73,1085 13.438,1086 25.032,1087 12.057,1088 2.599,1089 9.132,1090 21.94,1091 4.731,1092 13.518,1093 17.203,1094 13.39,1095 27.475,1096 13.145,1097 2.481,1098 8.477,1099 23.83,1100 3.824,1101 14.701,1102 18.758,1103 15.994,1104 29.962,1105 14.295,1106 2.316,1107 7.521,1108 25.728,1109 3.257,1110 15.856,1111 20.274,1112 16.105,1113 32.432,1114 15.418,1115 1.747,1116 6.836,1117 27.633,1118 3.186,1119 17.038,1120 21.823,1121 18.553,1122 34.919,1123 16.566,1124 1.66,1125 4.819,1126 29.544,1127 3.001,1128 18.213,1129 23.357,1130 18.797,1131 37.401,1132 17.706,1133 8086,1134 13789,1135 19.997,1136 31.711,1137 46.201,1138 49.879,1139 47.098,1140 45.66,1141 45.757,1142 60.455,1143 10.668,1144 134.844,1145 43.276,1146 5.68,1147 6.517,1148 6.654,1149 5.397,1150 5.337,1151 7.731,1152 7.134,1153 19.556,1154 5.22,1155 13.091,1156 1.54,1157 1.663,1158 1.57,1159 1.522,1160 1.525,1161 2.015,1162 0.356,1163 4.495,1164 1.443,1165 4.136,1166 4.182,1167 4.121,1168 4.003,1169 7.429,1170 4.023,1171 3.88,1172 3.912,1173 4.002,1174 3.769,1175 5.256,1176 3.78,1177 3.713,1178 3.762,1179 3.801,1180 3.635,1181 4.88,1182 3.576,1183 3.576,1184 3.654,1185 3.445,1186 3.407,1187 4.696,1188 3.399,1189 3.31,1190 3.355,1191 3.27,1192 3.098,1193 4.64,1194 3.128,1195 3.169,1196 3.252,1197 3.067,1198 2.939,1199 4.469,1200 2.963,1201 2.998,1202 3.108,1203 2.876,1204 2.694,1205 4.072,1206 2.73,1207 2.874,1208 3.009,1209 2.646,1210 2.621,1211 3.741,1212 2.619,1213 0.159,1214 0.151,1215 0.235,1216 0.143,1217 0.111,1218 4.759,1219 0.158,1220 4.517,1221 0.122,1222 7.039,1223 0.403,1224 4.301,1225 0.107,1226 3.337,1227 4.731,1228 3.655,1229 12.087,1230 3.22,1231 1.948,1232 1.928,1233 2.026,1234 2.043,1235 1.16,1236 2.032,1237 1.804,1238 1.756,1239 1.946,1240 1.996,1241 1.13,1242 1.98,1243 1.619,1244 1.555,1245 1.78,1246 1.822,1247 1.006,1248 1.82,1249 1.438,1250 1.364,1251 1.692,1252 1.681,1253 0.848,1254 1.682,1255 1.34,1256 1.309,1257 1.417,1258 1.537,1259 0.469,1260 1.545,1261 1.14,1262 1.083,1263 1.4,1264 1.392,1265 0.463,1266 1.37,1267 0.962,1268 0.934,1269 1.271,1270 1.239,1271 0.304,1272 1.308,1273 0.934,1274 0.804,1275 1.167,1276 1.22,1277 0.229,1278 1.213,1279 4.111,1281 5.451,1282 3.045,1283 6.98,1284 5.352,1285 8.6,1286 7.445,1287 10.273,1289 4.052,1293 6.112,1295 1.631,1296 2.845,1298 1.546,1299 0.111,1305 30.213,1306 78.663,1307 185.666,1308 220.574,1309 228.574,1310 230.574,1311 230.574,1312 43.514,1313 7.581,1314 111.08,1315 136.38,1316 22,1317 12.714,1318 4.248,1319 3.459,1320 40.075,1321 96,1322 97,1323 0.205,1324 190.2,1325 318.36,1326 455.847,1327 19772,1329 18.966,1330 0.702,1331 0.586,1332 19.319,1333 15.825,1334 13.042,1335 0.435,1336 0.32,1337 8.58,1338 12.048,1339 8.25,1340 6.849,1341 13.496,1342 9.606,1343 12.007,1344 0.279,1345 0.174,1346 12.617,1347 7.498,1348 10.139,1349 0.172,1350 0.086,1351 10.755,1352 5.103,1353 8.778,1354 0.108,1355 0.045,1356 9.401,1357 3.669,1358 6.815,1359 0.068,1360 0.022,1361 7.119,1362 2.158,1363 0.315,1364 86.374,1365 0.224,1366 25.579,1367 0.58,1368 146,1369 430.467,1370 184.876,1371 441.337,1372 612.43,1373 414,1374 175,1375 451.353,1376 208.268,1377 467.253,1378 690.55,1379 440,1380 5.523}
{0 CHEMBL1242116,1 1.521,2 14,3 3.797,4 14.417,5 120.891,6 8.296,7 0.8,8 4.019,9 4.137,10 3.683,11 3.631,12 5.244,13 3.627,14 4.466,15 4.601,16 4.038,17 4.015,18 5.678,19 3.992,20 4.695,21 4.868,22 4.085,23 4.115,24 5.854,25 4.072,26 4.746,27 4.942,28 4.025,29 4.065,30 5.959,31 4.009,32 4.728,33 4.952,34 3.85,35 3.99,36 5.845,37 3.915,38 4.573,39 4.793,40 3.711,41 3.872,42 5.657,43 3.785,44 4.459,45 4.693,46 3.568,47 3.715,48 5.518,49 3.625,50 4.315,51 4.544,52 3.5,53 3.54,54 5.483,55 3.475,56 0.077,57 0.76,58 7.826,59 3.712,60 10.631,61 4.39,62 0.176,63 1.172,64 13.008,65 6.233,66 19.467,67 7.679,68 0.157,69 1.411,70 18.941,71 8.248,72 26.859,73 10.369,74 0.309,75 1.484,76 21.521,77 8.66,78 43.767,79 10.889,80 0.321,81 1.388,82 23.593,83 8.682,84 50.945,85 10.959,86 0.221,87 1.194,88 19.512,89 7.789,90 36.021,91 10.133,92 0.178,93 1.058,94 18.004,95 7.071,96 28.589,97 9.45,98 0.282,99 0.904,100 16.114,101 6.058,102 37.152,103 7.905,104 5,105 49,106 0.25,107 0.522,108 0.645,109 0.766,110 0.835,111 0.835,112 3.471,113 0.832,114 -5.84,115 -5.7,116 -5.31,119 49,142 13,143 5,144 1,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,168 1,172 17,174 1,175 5,177 1,178 3,180 5,183 21,185 1,186 1,187 4,192 5,195 18,198 1,199 8,201 2,202 3,203 1,204 6,206 1,207 14,209 1,212 7,217 5,220 14,222 2,224 6,227 1,229 4,232 13,234 2,237 2,241 1,242 2,245 9,249 1,250 4,253 2,254 1,255 2,257 1,258 7,263 3,266 1,268 2,271 9,275 1606,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 18.064,282 10.682,283 12.633,284 21.685,285 17.281,286 17.281,287 17.281,288 17.281,289 17.281,290 12.298,291 13.192,292 5.982,293 17.668,294 4.094,295 2.437,296 1.691,297 0.954,298 0.531,299 0.531,300 4.184,304 1,305 1,306 974,307 2.915,310 76.226,311 421.109,314 142.866,318 2.323,319 23.897,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 66,331 434,332 4.666,333 3.572,334 6.884,335 4.201,336 3.229,337 4.626,338 1.058,339 11.489,340 3.139,341 4.289,342 3.244,343 6.169,344 3.921,345 2.921,346 3.929,348 9.122,349 2.921,350 4.101,351 2.845,352 6.016,353 3.74,354 2.747,355 3.681,357 8.599,358 2.728,359 3.975,360 2.658,361 5.85,362 3.559,363 2.572,364 3.494,366 8.018,367 2.534,368 3.614,369 2.335,370 5.297,371 3.215,372 2.247,373 3.011,375 6.758,376 2.172,377 3.421,378 2.117,379 5.034,380 2.92,381 1.992,382 2.808,384 5.677,385 1.884,386 3.363,387 2.057,388 4.531,389 2.88,390 1.879,391 2.734,393 4.705,394 1.839,395 3.017,396 1.714,397 4.43,398 2.496,399 1.544,400 2.253,402 4.13,403 1.469,404 2.859,405 1.539,406 4.017,407 2.36,408 1.36,409 1.963,411 3.319,412 1.35,413 2.564,414 1.128,415 3.805,416 2.048,417 1.082,418 1.593,420 2.692,421 1.043,422 2.517,423 1.087,424 3.485,425 2,426 1,427 1.5,428 2.548,429 1,430 2.5,431 1,432 3.414,433 2,434 1,435 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 3.312,450 1.986,451 1,452 1.486,454 2.136,455 0.981,456 2.185,457 0.804,458 3.247,459 1.696,460 0.739,461 1.049,463 1.802,464 0.705,465 14.733,466 0.475,467 0.657,468 0.021,469 48.5,470 1.565,471 28.5,472 0.919,473 20,474 0.645,475 19.189,476 0.619,477 30.267,478 0.618,479 36.237,480 1.169,481 9.793,482 0.316,483 5.394,484 0.174,485 0.05,487 0.339,493 0.813,494 0.976,495 0.711,496 0.796,497 0.744,498 0.741,499 0.592,500 1.003,501 0.801,502 0.977,503 0.6,504 0.931,505 0.902,506 1.164,507 0.929,508 1.105,509 0.862,510 1.039,511 1.035,512 1.025,513 1.056,514 1.117,515 1.109,516 1.101,517 1.374,518 0.896,519 1.122,520 0.93,521 1.406,522 0.981,523 0.979,524 0.97,525 1.068,526 1.061,527 1.082,528 1.079,529 0.852,530 0.991,531 0.995,532 1.085,533 0.909,534 1.065,535 1.05,536 0.781,537 0.899,538 0.913,539 1.339,540 0.904,541 5,542 0.123,543 3.778,544 1.875,545 1.539,546 0.896,547 0.486,548 0.4,549 0.271,550 0.212,551 15814,552 42538,553 2.18,554 36.7,556 13,558 1,559 4,564 1.729,565 2.09,566 3.732,567 1.568,569 1,573 74.513,574 1.521,575 3.178,576 3.924,577 4.661,578 5.084,579 5.084,580 3.189,581 4.349,582 4.926,583 3.932,584 1828.46,585 8.561,586 27310.7,588 1,591 275.121,592 1.215,593 4.907,594 0.143,595 0.004,596 0.077,597 0.038,598 0.034,599 0.024,600 0.015,601 0.014,602 0.01,603 0.008,604 0.367,606 0.75,607 0.415,608 164.541,609 -0.054,610 0.106,611 0.023,612 0.098,613 -0.131,614 0.079,615 0.177,616 0.04,617 -0.019,618 -0.055,619 0.042,620 -0.068,621 -0.024,622 -0.177,623 -0.037,624 -0.142,625 -0.002,626 -0.103,627 0.057,628 -0.031,629 -0.094,630 -0.156,631 0.03,632 -0.154,633 -0.223,634 0.06,635 -0.085,636 0.067,637 -0.148,638 0.024,639 -0.058,640 -0.033,641 -0.062,642 -0.05,643 -0.095,644 -0.057,645 0.035,646 -0.064,647 0.044,648 -0.063,649 -0.008,650 -0.016,651 0.223,652 0.147,653 0.18,654 0.106,655 0.125,656 0.127,657 1.838,658 5.633,659 0.871,660 35.388,661 1.005,662 1.116,663 4.61,664 21.249,665 0.715,666 3.584,667 3.912,668 4.22,669 4.489,670 4.7,671 4.745,672 4.883,673 5.004,674 5.063,675 5.118,676 8.133,677 0.694,678 406.48,679 3.584,680 5.13,681 5.994,682 6.874,683 7.751,684 8.635,685 9.517,686 10.404,687 11.288,688 12.177,689 12.2,693 1,696 1,697 1,699 3,703 2,704 14,705 3,706 1,709 7,711 28,718 1,722 1,731 49,733 29,734 3,735 35,737 53,738 24,739 23,740 5,741 13,742 1,746 5,747 6,761 24,766 1,771 1,775 1,778 1,781 18,782 6,783 4,784 7,790 6,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,840 4,848 31,849 1,855 1,870 2,873 1,877 14.833,878 8.767,879 6.75,880 2.743,881 5.199,882 1.634,883 1.063,884 4.909,885 13.395,886 3.932,887 4.582,888 5.237,889 5.864,890 6.417,891 6.712,892 7.177,893 7.597,894 7.888,895 8.228,896 1,897 50,898 11.379,900 4.914,901 7.747,902 21.52,904 17.75,905 2.247,906 69.667,909 1,910 164.795,911 161.386,912 117.805,914 25.145,917 161.386,918 189.94,919 117.805,921 18.011,922 156.088,923 93.57,924 46.11,925 2.328,926 153.024,928 164.795,929 279.191,930 25.145,933 164.795,934 25.145,937 47.764,938 181.193,939 50.234,941 164.795,942 142.95,943 161.386,946 164.795,947 29.577,948 131.81,949 34.674,950 108.276,951 164.795,952 142.95,953 161.386,955 0.582,956 0.349,957 0.192,958 0.102,959 25,960 10,961 0.075,962 4,963 1,964 1.074,965 4.417,966 280.649,967 0.074,968 27,969 141.58,974 18.981,975 8.017,976 3.769,977 1.261,978 126.287,979 26.376,980 12.472,981 2.861,984 5.334,986 67.571,987 469.132,988 50,993 12.633,997 -0.171,999 49.24,1000 54.69,1001 0.271,1002 0.566,1003 0.699,1004 0.83,1005 0.905,1006 0.905,1007 5.147,1008 1.544,1009 5.969,1010 4.705,1011 4.595,1012 5.27,1013 1.176,1014 6.783,1015 4.555,1016 6.369,1017 1.36,1018 7.527,1019 4.13,1020 4.111,1021 4.997,1023 7.698,1024 4.06,1025 7.679,1026 1.082,1027 9.187,1028 3.319,1029 6.188,1030 7.528,1031 1.255,1032 10.814,1033 6.114,1034 9.028,1035 1,1036 10.91,1037 2.692,1038 6.567,1039 8.137,1041 12.606,1042 6.483,1043 10.411,1044 1,1045 12.675,1046 2.548,1047 8.077,1048 10.086,1049 1.338,1050 15.232,1051 7.971,1052 11.819,1053 1,1054 14.468,1055 2.275,1056 8.854,1057 11.132,1059 17.384,1060 8.734,1061 13.246,1062 1,1063 16.283,1064 2.275,1065 10.134,1066 12.828,1067 1.422,1068 19.86,1069 9.993,1070 3.229,1071 0.739,1072 18.114,1073 2.136,1074 11.102,1075 14.104,1077 22.168,1078 10.941,1079 2.921,1080 11.489,1081 19.958,1082 1.802,1083 12.289,1084 15.689,1085 1.51,1086 24.602,1087 12.106,1088 2.747,1089 9.122,1090 21.812,1091 4.626,1092 13.349,1093 17.085,1095 26.979,1096 13.141,1097 2.572,1098 8.599,1099 23.675,1100 3.929,1101 14.503,1102 18.625,1103 1.599,1104 29.406,1105 14.271,1106 2.247,1107 8.018,1108 25.546,1109 3.681,1110 15.607,1111 20.083,1113 31.814,1114 15.348,1115 1.992,1116 6.758,1117 27.424,1118 3.494,1119 16.752,1120 21.606,1121 1.69,1122 34.243,1123 16.467,1124 1.879,1125 5.677,1126 29.307,1127 3.011,1128 17.879,1129 23.097,1131 36.667,1132 17.565,1133 14411,1134 23829,1135 24.156,1136 35.057,1137 53.289,1138 53.911,1139 53.812,1140 52.645,1141 52.622,1142 74.252,1143 2.117,1144 151.089,1145 51.53,1146 5.496,1147 5.572,1148 6.686,1149 5.273,1150 5.229,1151 7.626,1152 2.117,1153 18.662,1154 5.139,1155 10.369,1156 1.523,1157 1.54,1158 1.537,1159 1.504,1160 1.503,1161 2.121,1162 0.06,1163 4.317,1164 1.472,1165 4.115,1166 4.161,1167 4.092,1168 3.998,1169 7.429,1170 4.011,1171 4.004,1172 4.029,1173 3.955,1174 3.941,1175 5.279,1176 3.943,1177 3.849,1178 3.887,1179 3.795,1180 3.74,1181 4.92,1182 3.751,1183 3.75,1184 3.78,1185 3.681,1186 3.683,1187 4.83,1188 3.68,1189 3.338,1190 3.413,1191 3.287,1192 3.124,1193 4.713,1194 3.156,1195 3.248,1196 3.308,1197 3.186,1198 2.978,1199 4.58,1200 3.017,1201 3.01,1202 3.104,1203 2.919,1204 2.774,1205 4.492,1206 2.803,1207 2.862,1208 2.927,1209 2.751,1210 2.735,1211 3.899,1212 2.715,1213 0.133,1214 0.102,1215 0.197,1216 0.12,1217 0.092,1218 4.666,1219 0.132,1220 3.572,1221 0.03,1222 6.884,1223 0.328,1224 4.201,1225 0.09,1226 3.229,1227 4.626,1228 1.058,1229 11.489,1230 3.139,1231 1.997,1232 1.976,1233 2.092,1234 2.068,1235 1.196,1236 2.075,1237 1.935,1238 1.911,1239 2.019,1240 2.026,1241 1.136,1242 2.023,1243 1.781,1244 1.749,1245 1.896,1246 1.954,1247 0.958,1248 1.927,1249 1.745,1250 1.706,1251 1.82,1252 1.852,1253 0.868,1254 1.864,1255 1.299,1256 1.24,1257 1.398,1258 1.61,1259 0.389,1260 1.556,1261 1.143,1262 1.096,1263 1.283,1264 1.42,1265 0.284,1266 1.383,1267 0.927,1268 0.855,1269 1.181,1270 1.206,1271 0.218,1272 1.191,1273 0.886,1274 0.821,1275 1.181,1276 1.106,1277 0.218,1278 1.107,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.726,1286 6.862,1287 10.382,1293 5.979,1296 2.922,1305 34.004,1306 74.513,1307 155.712,1308 192.26,1309 228.366,1310 249.121,1311 249.121,1312 43.651,1313 8.196,1314 109.58,1315 109.58,1316 29,1317 12.708,1318 4.907,1319 4,1320 44.07,1321 154,1322 144,1323 0.138,1324 207.798,1325 345.29,1326 498.787,1327 48873,1329 21.209,1330 0.684,1331 0.529,1332 21.209,1333 16.41,1334 15.187,1335 0.434,1336 0.277,1337 9.604,1338 14.758,1339 9.422,1340 7.827,1341 15.187,1342 9.707,1343 13.554,1344 0.277,1345 0.143,1346 13.554,1347 7.03,1348 11.941,1349 0.178,1350 0.075,1351 11.941,1352 5.057,1353 10.17,1354 0.116,1355 0.039,1356 10.17,1357 3.45,1358 8.145,1359 0.075,1360 0.021,1361 8.145,1362 2.288,1363 0.225,1364 94.211,1365 0.203,1366 29.792,1367 0.356,1368 168,1369 466.649,1370 180.344,1371 467.587,1372 654.39,1373 438,1374 200,1375 499.116,1376 212.762,1377 510.853,1378 745.72,1379 482,1380 4}
{0 CHEMBL1242117,1 1.703,2 7.909,3 1.258,4 1.582,5 82.702,6 8.888,7 0.64,8 3.67,9 3.775,10 3.389,11 3.205,12 4.94,13 3.241,14 4.139,15 4.277,16 3.78,17 3.589,18 5.398,19 3.624,20 4.296,21 4.431,22 3.853,23 3.691,24 5.587,25 3.718,26 4.354,27 4.515,28 3.767,29 3.662,30 5.678,31 3.655,32 4.277,33 4.476,34 3.535,35 3.556,36 5.431,37 3.515,38 4.215,39 4.431,40 3.417,41 3.409,42 5.433,43 3.37,44 4.113,45 4.355,46 3.322,47 3.23,48 5.226,49 3.197,50 3.829,51 4.018,52 3.188,53 2.928,54 5.336,55 2.934,56 0.116,57 0.55,58 4.503,59 2.468,60 8.456,61 2.548,62 0.266,63 0.852,64 9.048,65 4.031,66 17.593,67 4.316,68 0.305,69 0.963,70 10.538,71 4.752,72 26.002,73 4.898,74 0.481,75 1.005,76 12.132,77 5.086,78 42.974,79 5.488,80 0.295,81 0.913,82 12.373,83 4.899,84 23.776,85 5.912,86 0.388,87 0.832,88 12.673,89 4.321,90 39.582,91 5.29,92 0.339,93 0.689,94 13.813,95 4.638,96 28.538,97 6.358,98 0.38,99 0.504,100 8.904,101 3.11,102 39.413,103 4.013,104 10,105 37,106 0.308,107 0.743,108 0.85,109 0.876,110 0.876,111 0.876,112 3.149,113 0.792,114 -3.46,115 -3.44,116 -3.29,119 45.5,124 1,135 1,137 1,142 3,143 3,144 1,146 1,147 1,148 1,157 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 10,177 1,178 1,180 1,183 6,185 1,186 1,187 6,195 5,198 3,199 9,201 3,202 3,204 1,207 4,209 1,212 7,217 2,220 1,222 2,223 2,224 7,229 2,232 1,234 2,236 2,237 1,249 4,250 2,252 2,253 2,255 1,260 1,275 554,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.748,282 13.007,283 8.533,284 15.267,285 12.321,286 12.321,287 12.321,288 12.321,289 12.321,290 8.923,291 12.623,292 4.01,293 12.847,294 3.341,295 0.94,296 0.349,297 0.205,298 0.205,299 0.205,300 3.846,304 1,305 1,306 386,307 2.121,310 37.719,311 141.454,314 72.898,315 78.824,318 1.116,319 24.857,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48.5,331 174,332 4.741,333 3.564,334 6.988,335 4.277,336 3.308,337 4.719,338 0.86,339 11.879,340 3.208,341 4.392,342 3.318,343 6.481,344 4.007,345 3.02,346 4.04,348 10.071,349 2.981,350 3.815,351 2.836,352 5.913,353 3.421,354 2.444,355 3.242,357 8.106,358 2.39,359 3.649,360 2.488,361 5.504,362 3.194,363 2.261,364 3.086,366 6.779,367 2.107,368 3.395,369 2.373,370 5.036,371 2.978,372 1.988,373 2.656,375 5.698,376 1.946,377 3.035,378 1.82,379 4.501,380 2.508,381 1.581,382 2.25,384 4.292,385 1.457,386 2.9,387 1.492,388 4.327,389 2.337,390 1.389,391 1.956,393 3.667,394 1.312,395 2.712,396 1.392,397 4.039,398 2.243,399 1.296,400 1.799,402 3.393,403 1.223,404 2.479,405 1.292,406 3.631,407 1.98,408 1.03,409 1.453,411 2.504,412 0.973,413 2.399,414 1.043,415 3.361,416 1.84,417 0.869,418 1.25,420 2.081,421 0.836,422 1.419,423 0.561,424 2.72,425 0.893,426 -0.104,427 -0.15,428 -0.249,429 -0.102,430 1.093,431 -0.075,432 2.444,433 0.668,434 -0.247,435 -0.315,436 -0.58,437 -0.226,438 0.803,439 -0.215,440 2.381,441 0.426,442 -0.53,443 -0.65,445 -1.309,446 -0.501,447 0.727,448 -0.497,449 2.277,450 0.288,451 -0.628,452 -0.813,454 -1.516,455 -0.573,456 0.669,457 -0.615,458 2.27,459 0.226,460 -0.789,461 -1.086,463 -2.387,464 -0.794,465 10.167,466 0.462,467 0.61,468 0.028,469 33.25,470 1.511,471 18,472 0.818,473 15.25,474 0.693,475 13.207,476 0.6,477 22.233,478 0.674,479 23.535,480 1.07,481 6.697,482 0.304,483 3.951,484 0.18,485 0.121,487 0.433,493 0.806,494 1.166,495 0.631,496 0.948,497 0.73,498 0.781,499 0.913,500 0.891,501 0.654,502 0.766,503 0.628,504 0.663,505 1.145,506 1.174,507 0.88,508 1.02,509 0.985,510 0.914,511 0.953,512 0.953,513 1.111,514 1.054,515 1.065,516 1.113,517 0.865,518 1.175,519 1.127,520 1.164,521 0.802,522 1.185,523 0.932,524 1.007,525 1.187,526 1.026,527 1.048,528 1.117,529 0.707,530 0.956,531 0.725,532 0.945,533 0.853,534 0.861,535 0.672,536 0.966,537 0.842,538 1.103,539 0.734,540 1.053,541 4,543 3.111,544 2.104,545 1.69,546 0.639,547 0.364,548 0.484,549 0.11,550 0.069,551 4712,552 14901,553 2.148,554 33.3,556 7,557 1,558 1,559 2,564 1.649,565 2,566 2.977,567 0.393,569 1,571 1,573 56.198,574 1.703,575 4.104,576 4.696,577 4.84,578 4.84,579 4.84,580 2.368,581 4.096,582 4.436,583 3.082,584 712.003,585 7.639,586 7494.05,587 1,588 1,591 166.465,592 1.437,593 4.388,594 0.16,596 0.084,597 0.054,598 0.05,599 0.024,600 0.016,601 0.023,602 0.006,603 0.01,604 0.427,605 0.67,606 1,607 0.595,608 98.439,609 -0.069,610 -0.059,611 0.039,612 -0.025,613 -0.138,614 0.024,615 -0.05,616 0.181,617 0.133,618 0.167,619 0.022,620 0.193,621 -0.19,622 -0.142,623 -0.071,624 -0.079,625 -0.09,626 -0.051,627 0.033,628 0.075,629 -0.234,630 -0.124,631 -0.034,632 -0.228,633 -0.14,634 -0.19,635 -0.186,636 -0.197,637 -0.044,638 -0.195,639 -0.063,640 -0.018,641 -0.178,642 -0.081,643 -0.125,644 -0.13,645 0.212,646 -0.094,647 0.439,648 0.09,649 0.069,650 0.276,651 0.61,652 -0.057,653 0.249,654 -0.13,655 0.631,656 -0.063,657 1.771,658 4.963,659 0.864,660 13.926,661 1.025,662 1.126,663 2.234,664 4.992,665 0.704,666 3.258,667 3.638,668 3.989,669 4.317,670 4.575,671 4.644,672 4.787,673 4.963,674 5.056,675 5.024,676 4.815,677 0.701,678 293.31,679 3.258,680 4.828,681 5.72,682 6.635,683 7.544,684 8.462,685 9.377,686 10.296,687 11.213,688 12.134,689 15.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,716 1,722 1,729 1,731 33,733 18,734 1,735 25,737 36,738 15,739 11,740 3,741 3,742 3,746 4,747 6,761 14,762 1,766 2,771 1,773 2,775 1,777 1,778 1,781 11,782 6,783 2,784 7,790 5,794 0.5,795 2,803 1,806 1,811 1,812 3,815 1,816 1,831 1,840 2,844 1,848 22,849 1,856 1,870 6.1,873 1,875 1,877 11,878 6.467,879 4.694,880 1.809,881 3.687,882 1.496,883 1.048,884 2.743,885 11.115,886 3.584,887 4.273,888 4.976,889 5.645,890 6.224,891 6.614,892 7.09,893 7.577,894 7.928,895 8.241,896 1,897 39,898 8.069,900 3.55,901 7.902,902 14.998,904 12.425,905 2.402,906 52.833,910 105.94,911 92.575,912 84.908,914 36.145,917 92.575,918 142.085,919 84.908,920 8.396,921 11.534,922 70.802,923 93.999,924 38.339,925 14.099,926 82.398,928 105.94,929 177.483,930 36.145,933 105.94,934 36.145,937 14.867,938 102.905,939 59.71,941 105.94,942 121.053,943 92.575,946 105.94,947 26.121,948 68.231,950 119.276,951 105.94,952 121.053,953 92.575,955 0.596,956 0.368,957 0.209,958 0.116,959 21,960 9,961 0.028,962 1,963 2,964 1.211,965 3.351,966 188.78,967 0.211,968 19,969 98.107,974 12.984,975 4.648,976 1.924,977 1.312,978 119.276,979 6.722,980 12.675,984 2.78,985 1.639,986 32.897,987 319.568,988 35,993 11.963,995 2.77,997 -0.104,999 33.814,1000 37.156,1001 0.338,1002 0.814,1003 0.931,1004 0.959,1005 0.959,1006 0.959,1007 4.836,1008 1.296,1009 5.733,1010 3.667,1011 4.317,1012 4.959,1013 0.908,1014 6.619,1015 4.246,1016 6.089,1017 1.03,1018 7.339,1019 3.393,1020 4.007,1021 4.902,1023 7.656,1024 3.931,1025 7.431,1026 0.869,1027 9.046,1028 2.504,1029 5.979,1030 7.288,1031 0.739,1032 10.812,1033 5.856,1034 8.814,1035 -0.104,1036 10.812,1037 2.081,1038 6.494,1039 8.087,1041 12.694,1042 6.368,1043 10.23,1044 -0.247,1045 12.617,1046 -0.249,1047 7.958,1048 9.947,1049 0.593,1050 15.375,1051 7.793,1052 11.671,1053 -0.53,1054 14.447,1055 -0.58,1056 8.846,1057 11.149,1059 17.597,1060 8.669,1061 13.133,1062 -0.628,1063 16.297,1064 -1.309,1065 10.12,1066 12.803,1067 0.469,1068 20.122,1069 9.91,1070 3.308,1071 -0.789,1072 18.162,1073 -1.516,1074 11.172,1075 14.191,1077 22.484,1078 10.942,1079 3.02,1080 11.879,1081 20.038,1082 -2.387,1083 12.377,1084 15.768,1085 0.366,1086 24.96,1087 12.117,1088 2.444,1089 10.071,1090 21.924,1091 4.719,1092 13.5,1093 17.239,1095 27.379,1096 13.214,1097 2.261,1098 8.106,1099 23.817,1100 4.04,1101 14.683,1102 18.789,1103 0.283,1104 29.842,1105 14.368,1106 1.988,1107 6.779,1108 25.716,1109 3.242,1110 15.837,1111 20.299,1113 32.286,1114 15.494,1115 1.581,1116 5.698,1117 27.62,1118 3.086,1119 17.015,1120 21.841,1121 0.217,1122 34.748,1123 16.641,1124 1.389,1125 4.292,1126 29.529,1127 2.656,1128 18.183,1129 23.368,1131 37.204,1132 17.78,1133 4459,1134 8045,1135 16.819,1136 23.222,1137 39.071,1138 40.028,1139 40.362,1140 38.37,1141 38.373,1142 52.904,1143 1.72,1144 116.94,1145 36.867,1146 5.548,1147 5.564,1148 6.532,1149 5.359,1150 5.308,1151 7.719,1152 1.72,1153 19.218,1154 5.208,1155 9.703,1156 1.563,1157 1.601,1158 1.614,1159 1.535,1160 1.535,1161 2.116,1162 0.069,1163 4.678,1164 1.475,1165 4.13,1166 4.174,1167 4.113,1168 4.004,1169 7.428,1170 4.023,1171 3.918,1172 3.935,1173 3.886,1174 3.788,1175 5.258,1176 3.811,1177 3.48,1178 3.518,1179 3.415,1180 3.354,1181 4.909,1182 3.363,1183 3.379,1184 3.468,1185 3.284,1186 3.09,1187 4.827,1188 3.124,1189 3.041,1190 3.11,1191 2.956,1192 2.873,1193 4.529,1194 2.881,1195 2.952,1196 3.041,1197 2.863,1198 2.762,1199 4.328,1200 2.77,1201 2.895,1202 2.959,1203 2.692,1204 2.587,1205 3.786,1206 2.606,1207 2.605,1208 2.66,1209 2.468,1210 2.46,1211 3.647,1212 2.456,1213 0.19,1214 0.143,1215 0.28,1216 0.171,1217 0.132,1218 4.741,1219 0.189,1220 3.564,1221 0.034,1222 6.988,1223 0.475,1224 4.277,1225 0.128,1226 3.308,1227 4.719,1228 0.86,1229 11.879,1230 3.208,1231 1.964,1232 1.952,1233 2.028,1234 2.057,1235 1.162,1236 2.046,1237 1.79,1238 1.752,1239 1.854,1240 1.988,1241 0.93,1242 1.952,1243 1.504,1244 1.463,1245 1.668,1246 1.747,1247 0.699,1248 1.72,1249 1.352,1250 1.277,1251 1.572,1252 1.565,1253 0.575,1254 1.569,1255 0.998,1256 0.942,1257 1.196,1258 1.247,1259 0.218,1260 1.243,1261 0.886,1262 0.842,1263 1.158,1264 1.179,1265 0.142,1266 1.174,1267 0.81,1268 0.696,1269 1.057,1270 1.076,1272 1.067,1273 0.603,1274 0.529,1275 0.836,1276 0.877,1278 0.88,1279 3.932,1281 5.293,1282 2.398,1283 6.864,1284 4.844,1285 8.53,1286 7.05,1287 10.244,1289 1.785,1293 5.966,1297 5.325,1305 23.117,1306 56.198,1307 135.445,1308 154.955,1309 159.71,1310 159.71,1311 159.71,1312 30.623,1313 7.428,1314 99.83,1315 99.83,1316 23,1317 12.643,1318 4.248,1319 3.459,1320 29.763,1321 64,1322 54,1323 0.237,1324 140.699,1325 234.74,1326 335.066,1327 15822,1329 15.267,1330 0.694,1331 0.529,1332 15.267,1333 11.647,1334 10.648,1335 0.426,1336 0.264,1337 6.472,1338 10.115,1339 6.334,1340 5.236,1341 10.648,1342 6.601,1343 9.931,1344 0.268,1345 0.133,1346 9.931,1347 4.926,1348 8.877,1349 0.167,1350 0.068,1351 8.877,1352 3.583,1353 7.816,1354 0.106,1355 0.034,1356 7.816,1357 2.543,1358 6.571,1359 0.068,1360 0.018,1361 6.571,1362 1.738,1363 0.355,1364 67.637,1365 0.244,1366 21.046,1367 0.7,1368 124,1369 403.364,1370 138.417,1371 389.051,1372 540.69,1373 364,1374 152,1375 414.589,1376 167.612,1377 417.118,1378 614.79,1379 392,1380 5.167}
{0 CHEMBL1242118,1 1.652,2 8.083,3 1.984,4 3.937,5 91.868,6 8.24,7 0.593,8 3.807,9 3.921,10 3.465,11 3.339,12 5.018,13 3.354,14 4.305,15 4.461,16 3.863,17 3.725,18 5.484,19 3.736,20 4.513,21 4.686,22 3.956,23 3.844,24 5.711,25 3.849,26 4.588,27 4.785,28 3.916,29 3.854,30 5.824,31 3.831,32 4.502,33 4.705,34 3.723,35 3.801,36 5.595,37 3.747,38 4.446,39 4.638,40 3.691,41 3.728,42 5.634,43 3.673,44 4.517,45 4.762,46 3.533,47 3.636,48 5.6,49 3.553,50 4.369,51 4.642,52 3.376,53 3.391,54 5.537,55 3.295,56 0.091,57 0.628,58 6.558,59 3.139,60 9.259,61 3.717,62 0.228,63 0.988,64 12.818,65 5.257,66 21.748,67 6.517,68 0.32,69 1.171,70 16.846,71 6.048,72 28.36,73 7.502,74 0.535,75 1.24,76 19.409,77 6.655,78 52.797,79 8.519,80 0.298,81 1.148,82 17.066,83 6.125,84 30.692,85 8.041,86 0.311,87 1.073,88 15.799,89 5.961,90 36.094,91 7.886,92 0.415,93 1.054,94 20.021,95 6.414,96 41.893,97 8.969,98 0.496,99 0.806,100 19.759,101 6.423,102 59.874,103 9.516,104 18,105 40,106 0.29,107 0.712,108 0.818,109 0.839,110 0.839,111 0.839,112 3.23,113 0.841,114 -3.96,115 -3.91,116 -3.71,119 43.6,120 2,127 1,135 1,137 1,142 3,143 3,144 1,146 1,147 1,148 1,157 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 12,177 1,178 1,180 1,183 7,185 1,186 1,187 8,195 5,198 3,199 11,201 3,202 3,204 1,207 6,209 1,212 7,217 2,220 3,222 2,223 2,224 9,229 4,232 5,234 4,236 2,237 1,245 4,249 4,250 2,252 2,253 2,255 1,260 1,263 4,271 2,275 746,276 16.137,277 16.137,278 16.137,279 16.137,280 16.137,281 14.032,282 16.169,283 9.22,284 16.499,285 13.305,286 13.305,287 13.305,288 13.305,289 13.305,290 9.935,291 15.123,292 4.322,293 13.863,294 3.633,295 1.229,296 0.622,297 0.5,298 0.5,299 0.5,300 3.925,303 1,304 1,305 1,306 424,307 2.739,310 42.808,311 158.248,314 82.459,315 87.827,318 1.174,319 26.18,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.5,331 194,332 4.762,333 3.564,334 7.04,335 4.306,336 3.341,337 4.732,338 0.86,339 12.091,340 3.228,341 4.396,342 3.367,343 6.487,344 4.015,345 3.028,346 4.042,348 10.093,349 2.99,350 3.863,351 2.847,352 6.122,353 3.535,354 2.573,355 3.27,357 8.697,358 2.477,359 3.757,360 2.679,361 5.731,362 3.362,363 2.396,364 3.174,366 7.501,367 2.311,368 3.396,369 2.461,370 5.036,371 2.979,372 1.989,373 2.656,375 5.698,376 1.947,377 3.043,378 1.853,379 4.82,380 2.684,381 1.744,382 2.255,384 4.819,385 1.636,386 3.008,387 1.791,388 4.5,389 2.507,390 1.581,391 2.13,393 4.276,394 1.457,395 2.896,396 1.473,397 4.042,398 2.332,399 1.38,400 1.955,402 3.394,403 1.309,404 2.53,405 1.292,406 3.857,407 2.018,408 1.066,409 1.539,411 2.754,412 1.011,413 2.423,414 1.068,415 3.494,416 1.891,417 0.909,418 1.279,420 2.17,421 0.884,422 2.125,423 0.857,424 3.359,425 1.752,426 0.788,427 1.021,428 1.976,429 0.756,430 1.417,431 0.555,432 2.72,433 0.892,434 -0.105,435 -0.151,436 -0.25,437 -0.102,438 1.059,439 -0.127,440 2.431,441 0.617,442 -0.299,443 -0.389,445 -0.696,446 -0.274,447 0.795,448 -0.25,449 2.379,450 0.42,451 -0.533,452 -0.659,454 -1.325,455 -0.503,456 0.691,457 -0.615,458 2.27,459 0.232,460 -0.762,461 -1,463 -2,464 -0.732,465 11.167,466 0.465,467 0.699,468 0.029,469 34.25,470 1.427,471 18,472 0.75,473 16.25,474 0.677,475 17.399,476 0.725,477 24.833,478 0.637,479 24.922,480 1.038,481 6.664,482 0.278,483 4.894,484 0.204,485 0.155,487 0.439,493 0.783,494 1.204,495 0.686,496 1.007,497 0.732,498 0.854,499 0.828,500 1.04,501 0.652,502 0.891,503 0.589,504 0.763,505 1.152,506 1.136,507 0.865,508 0.926,509 0.893,510 0.844,511 0.952,512 0.889,513 0.97,514 0.876,515 0.994,516 0.912,517 0.936,518 1.109,519 1.147,520 1.079,521 0.84,522 1.12,523 0.787,524 1.275,525 1.115,526 1.246,527 0.859,528 1.24,529 0.868,530 0.986,531 1.106,532 1.066,533 1.033,534 1.104,535 0.423,536 0.751,537 0.66,538 0.87,539 0.533,540 0.836,541 4.5,542 0.025,543 3.333,544 2.229,545 2.02,546 0.917,547 0.485,548 0.515,549 0.25,550 0.098,551 5754,552 16763,553 2.11,554 38.5,556 5,557 1,558 1,559 2,561 6,564 1.675,565 1.946,566 3.024,567 0.337,568 1,569 1,571 1,573 64.431,574 1.652,575 4.057,576 4.663,577 4.785,578 4.785,579 4.785,580 2.418,581 4.502,582 4.56,583 3.149,584 869.246,585 7.901,586 9773.04,587 1,588 1,590 1,591 206.131,592 1.483,593 4.504,594 0.167,595 0.008,596 0.083,597 0.052,598 0.05,599 0.028,600 0.016,601 0.021,602 0.012,603 0.008,604 0.444,605 0.5,606 1,607 0.813,608 110.828,609 -0.034,610 -0.058,611 0.05,612 -0.028,613 -0.117,614 0.019,615 0.035,616 0.041,617 0.191,618 0.081,619 0.073,620 0.149,621 -0.157,622 -0.078,623 0.031,624 0.022,625 -0.026,626 0.061,627 0.052,628 0.153,629 -0.03,630 0.061,631 0.015,632 0.008,633 -0.195,634 -0.058,635 -0.249,636 -0.127,637 -0.103,638 -0.175,640 -0.242,641 -0.218,642 -0.285,643 -0.017,644 -0.295,645 0.004,646 -0.03,647 -0.082,648 -0.11,649 -0.142,650 -0.102,651 0.544,652 0.065,653 0.482,654 0.155,655 0.48,656 0.275,657 1.769,658 5.071,659 0.792,660 16.743,661 1.015,662 1.128,663 2.727,664 7.437,665 0.686,666 3.332,667 3.714,668 4.06,669 4.394,670 4.673,671 4.804,672 4.927,673 5.094,674 5.198,675 5.215,676 5.064,677 0.671,678 321.37,679 3.332,680 4.905,681 5.796,682 6.713,683 7.625,684 8.548,685 9.467,686 10.393,687 11.315,688 12.242,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,716 1,722 1,729 1,731 39,733 18,734 1,735 27,737 42,738 17,739 11,740 3,741 3,742 3,746 4,747 6,752 2,758 1,761 14,762 3,766 2,771 1,773 2,775 1,777 1,778 1,781 15,782 6,783 2,784 7,790 5,794 0.5,795 2,803 1,806 1,811 1,812 3,815 1,816 1,831 1,840 2,844 2,848 24,849 1,856 1,858 1,870 5.1,873 1,875 1,877 12.333,878 7.8,879 5.139,880 2.343,881 3.667,882 1.483,883 1.016,884 3.358,885 11.252,886 3.638,887 4.314,888 5.016,889 5.692,890 6.285,891 6.713,892 7.179,893 7.664,894 8.021,895 8.362,896 1,897 43,898 8.832,900 3.862,901 7.84,902 16.571,904 13.762,905 2.34,906 56.167,910 153.024,911 101.829,912 84.908,914 36.145,917 101.829,918 189.169,919 84.908,920 17.65,921 11.534,922 70.802,923 93.999,924 38.339,925 14.099,926 129.482,928 153.024,929 186.737,930 36.145,933 82.398,934 106.771,937 32.518,938 94.509,939 59.71,941 153.024,942 121.053,943 101.829,946 153.024,947 26.121,948 77.485,950 119.276,951 153.024,952 121.053,953 101.829,955 0.596,956 0.363,957 0.206,958 0.118,959 22,960 10,961 0.048,962 2,963 2,964 1.211,965 3.47,966 213.151,967 0.211,968 19,969 108.039,974 14.851,975 5.427,976 2.308,977 1.36,978 119.276,979 6.799,980 13.055,984 2.816,985 1.806,986 32.897,987 375.906,988 37,993 12.071,995 2.785,997 -0.102,999 39.582,1000 43.986,1001 0.313,1002 0.768,1003 0.882,1004 0.905,1005 0.905,1006 0.905,1007 4.898,1008 1.38,1009 5.814,1010 4.276,1011 4.394,1012 5.001,1013 0.908,1014 6.706,1015 4.323,1016 6.146,1017 1.066,1018 7.425,1019 3.394,1020 4.111,1021 4.945,1023 7.763,1024 4.032,1025 7.487,1026 0.909,1027 9.137,1028 2.754,1029 6.061,1030 7.316,1031 0.739,1032 10.919,1033 5.933,1034 8.868,1035 0.788,1036 10.909,1037 2.17,1038 6.594,1039 8.119,1041 12.812,1042 6.459,1043 10.283,1044 -0.105,1045 12.718,1046 1.976,1047 8.048,1048 9.972,1049 0.593,1050 15.499,1051 7.871,1052 11.724,1053 -0.299,1054 14.553,1055 -0.25,1056 8.945,1057 11.177,1059 17.732,1060 8.751,1061 13.186,1062 -0.533,1063 16.407,1064 -0.696,1065 10.217,1066 12.829,1067 0.469,1068 20.266,1069 9.986,1070 3.341,1071 -0.762,1072 18.275,1073 -1.325,1074 11.275,1075 14.22,1077 22.641,1078 11.02,1079 3.028,1080 12.091,1081 20.155,1082 -2,1083 12.482,1084 15.797,1085 0.366,1086 25.13,1087 12.194,1088 2.573,1089 10.093,1090 22.043,1091 4.732,1092 13.611,1093 17.271,1095 27.564,1096 13.294,1097 2.396,1098 8.697,1099 23.939,1100 4.042,1101 14.799,1102 18.823,1103 0.283,1104 30.043,1105 14.448,1106 1.989,1107 7.501,1108 25.842,1109 3.27,1110 15.959,1111 20.335,1113 32.504,1114 15.577,1115 1.744,1116 5.698,1117 27.749,1118 3.174,1119 17.144,1120 21.879,1121 0.217,1122 34.983,1123 16.728,1124 1.581,1125 4.819,1126 29.662,1127 2.656,1128 18.32,1129 23.41,1131 37.457,1132 17.871,1133 5511,1134 9547,1135 17.918,1136 26.745,1137 42.341,1138 43.239,1139 43.791,1140 41.579,1141 41.588,1142 56.108,1143 1.72,1144 126.937,1145 40.014,1146 5.569,1147 5.564,1148 6.585,1149 5.388,1150 5.341,1151 7.732,1152 1.72,1153 19.56,1154 5.228,1155 12.013,1156 1.568,1157 1.601,1158 1.622,1159 1.54,1160 1.54,1161 2.078,1162 0.064,1163 4.701,1164 1.482,1165 4.14,1166 4.184,1167 4.122,1168 4.01,1169 7.428,1170 4.031,1171 3.922,1172 3.939,1173 3.889,1174 3.797,1175 5.256,1176 3.819,1177 3.578,1178 3.655,1179 3.445,1180 3.415,1181 4.907,1182 3.408,1183 3.48,1184 3.509,1185 3.413,1186 3.347,1187 4.823,1188 3.357,1189 3.166,1190 3.252,1191 3.069,1192 2.942,1193 4.529,1194 2.969,1195 3,1196 3.103,1197 2.896,1198 2.775,1199 4.337,1200 2.786,1201 2.95,1202 3.009,1203 2.857,1204 2.683,1205 4.049,1206 2.72,1207 2.874,1208 2.978,1209 2.563,1210 2.618,1211 3.723,1212 2.57,1213 0.176,1214 0.132,1215 0.261,1216 0.159,1217 0.124,1218 4.762,1219 0.175,1220 3.564,1221 0.032,1222 7.04,1223 0.448,1224 4.306,1225 0.12,1226 3.341,1227 4.732,1228 0.86,1229 12.091,1230 3.228,1231 1.964,1232 1.952,1233 2.028,1234 2.058,1235 1.168,1236 2.046,1237 1.812,1238 1.769,1239 1.947,1240 2.01,1241 1.136,1242 1.986,1243 1.633,1244 1.575,1245 1.789,1246 1.836,1247 0.861,1248 1.831,1249 1.444,1250 1.409,1251 1.598,1252 1.606,1253 0.6,1254 1.605,1255 1.096,1256 1.034,1257 1.417,1258 1.372,1259 0.469,1260 1.348,1261 0.934,1262 0.858,1263 1.244,1264 1.239,1265 0.254,1266 1.308,1267 0.905,1268 0.804,1269 1.159,1270 1.199,1271 0.165,1272 1.188,1273 0.837,1274 0.757,1275 1.064,1276 1.107,1277 0.034,1278 1.094,1279 4.007,1281 5.371,1282 2.398,1283 6.94,1284 4.844,1285 8.606,1286 7.081,1287 10.321,1289 4.035,1293 6.066,1297 5.363,1299 0.112,1305 26.171,1306 64.431,1307 158.215,1308 181.866,1309 186.621,1310 186.621,1311 186.621,1312 36.993,1313 7.586,1314 99.83,1315 99.83,1316 23,1317 12.747,1318 4.248,1319 3.459,1320 33.621,1321 72,1322 66,1323 0.233,1324 159.884,1325 269.34,1326 381.877,1327 18886,1329 16.845,1330 0.702,1331 0.551,1332 16.845,1333 13.224,1334 11.559,1335 0.428,1336 0.28,1337 7.444,1338 11.034,1339 7.236,1340 6.018,1341 11.559,1342 7.566,1343 10.862,1344 0.272,1345 0.146,1346 10.862,1347 5.84,1348 9.453,1349 0.166,1350 0.069,1351 9.453,1352 3.94,1353 8.303,1354 0.104,1355 0.035,1356 8.303,1357 2.789,1358 6.997,1359 0.066,1360 0.018,1361 6.997,1362 1.946,1363 0.35,1364 72.98,1365 0.236,1366 22.675,1367 0.692,1368 134,1369 413.364,1370 149.083,1371 399.615,1372 557.95,1373 374,1374 164,1375 431.293,1376 180.278,1377 432.979,1378 640.61,1379 408,1380 5.62}
{0 CHEMBL1242119,1 1.617,2 8.731,3 2.66,4 7.076,5 99.114,6 8.079,7 0.533,8 3.91,9 4.023,10 3.56,11 3.464,12 5.054,13 3.47,14 4.451,15 4.602,16 3.96,17 3.891,18 5.553,19 3.88,20 4.714,21 4.92,22 4.015,23 3.979,24 5.78,25 3.95,26 4.693,27 4.907,28 4,29 3.935,30 5.863,31 3.912,32 4.592,33 4.789,34 3.87,35 3.922,36 5.665,37 3.878,38 4.58,39 4.77,40 3.842,41 3.898,42 5.698,43 3.844,44 4.639,45 4.86,46 3.769,47 3.85,48 5.691,49 3.776,50 4.599,51 4.859,52 3.556,53 3.678,54 5.721,55 3.568,56 0.079,57 0.69,58 7.583,59 3.623,60 9.526,61 4.377,62 0.203,63 1.137,64 14.846,65 6.422,66 20.818,67 8.043,68 0.324,69 1.376,70 22.768,71 8.133,72 34.921,73 10.812,74 0.565,75 1.372,76 22.934,77 7.391,78 54.117,79 9.818,80 0.29,81 1.283,82 18.784,83 6.595,84 31.022,85 8.697,86 0.328,87 1.245,88 18.392,89 6.819,90 38.797,91 9.033,92 0.347,93 1.248,94 21.336,95 7.586,96 35.215,97 10.432,98 0.549,99 1.087,100 23.313,101 7.75,102 68.854,103 11.168,104 5,105 44,106 0.277,107 0.68,108 0.792,109 0.843,110 0.843,111 0.843,112 3.306,113 0.873,114 -4.43,115 -4.36,116 -4.11,119 44.2,121 4,127 1,135 1,137 1,142 3,143 3,144 1,146 1,147 1,148 1,157 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 12,177 1,178 1,180 1,183 9,185 1,186 1,187 10,195 5,198 3,199 13,201 3,202 3,204 1,207 6,209 1,212 9,217 2,220 5,222 2,223 2,224 9,229 4,232 7,234 4,236 2,237 3,242 2,245 8,247 2,249 4,250 2,252 2,253 2,255 1,258 4,260 1,263 4,271 2,275 952,276 17.999,277 17.999,278 17.999,279 17.999,280 17.999,281 15.894,282 16.169,283 10.44,284 18.343,285 14.825,286 14.825,287 14.825,288 14.825,289 14.825,290 11.469,291 15.123,292 4.937,293 15.372,294 3.809,295 1.46,296 0.808,297 0.512,298 0.512,299 0.512,300 4.019,303 1,304 1,305 1,306 513,307 2.236,310 100.2,311 171.946,314 88.484,315 95.519,318 1.234,319 27.342,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 227,332 4.765,333 3.565,334 7.051,335 4.315,336 3.35,337 4.734,338 0.86,339 12.15,340 3.235,341 4.396,342 3.381,343 6.49,344 4.019,345 3.031,346 4.042,348 10.109,349 2.993,350 3.909,351 2.863,352 6.225,353 3.66,354 2.69,355 3.285,357 9.156,358 2.607,359 3.777,360 2.769,361 5.774,362 3.386,363 2.412,364 3.189,366 7.702,367 2.353,368 3.396,369 2.466,370 5.079,371 2.983,372 2.003,373 2.656,375 5.7,376 1.949,377 3.238,378 2.043,379 5.036,380 2.945,381 1.981,382 2.365,384 5.688,385 1.896,386 3.034,387 1.817,388 4.5,389 2.508,390 1.581,391 2.245,393 4.287,394 1.457,395 2.898,396 1.486,397 4.235,398 2.341,399 1.391,400 1.956,402 3.533,403 1.316,404 2.638,405 1.4,406 4.039,407 2.301,408 1.337,409 1.683,411 3.393,412 1.285,413 2.474,414 1.292,415 3.662,416 1.996,417 1.045,418 1.447,420 2.57,421 0.989,422 2.4,423 1.052,424 3.362,425 1.862,426 0.884,427 1.256,428 2.101,429 0.856,430 1.857,431 0.712,432 3.248,433 1.653,434 0.675,435 0.781,436 1.729,437 0.659,438 1.618,439 0.618,440 3,441 1.618,442 0.618,443 0.618,445 1.372,446 0.618,447 1.417,448 0.552,449 2.72,450 0.892,451 -0.105,452 -0.151,454 -0.25,455 -0.102,456 1.059,457 -0.126,458 2.463,459 0.62,460 -0.297,461 -0.385,463 -0.694,464 -0.272,465 12.167,466 0.468,467 0.624,468 0.024,469 35.75,470 1.375,471 18,472 0.692,473 17.75,474 0.683,475 20.125,476 0.774,477 26.833,478 0.624,479 25.573,480 0.984,481 6.639,482 0.255,483 6.081,484 0.234,485 0.06,487 0.403,493 0.761,494 1.162,495 0.691,496 0.984,497 0.66,498 0.848,499 0.783,500 1.098,501 0.774,502 1.025,503 0.549,504 0.922,505 0.986,506 1.151,507 0.843,508 0.986,509 0.758,510 0.903,511 0.987,512 0.843,513 0.886,514 0.752,515 0.961,516 0.781,517 1.004,518 1.104,519 1.108,520 1,521 0.882,522 1.034,523 0.85,524 1.176,525 1.119,526 1.136,527 0.905,528 1.156,529 0.795,530 1.156,531 1.058,532 1.169,533 0.938,534 1.153,535 0.591,536 0.825,537 0.943,538 0.987,539 0.699,540 1.022,541 4,542 0.035,543 3.333,544 2.007,545 1.86,546 0.886,547 0.47,548 0.527,549 0.225,550 0.12,551 7712,552 20203,553 2.216,554 39.5,555 4,556 5,557 1,558 1,559 2,561 4,564 1.697,565 2.108,566 3.125,567 0.289,568 1,569 1,573 69.522,574 1.617,575 3.966,576 4.618,577 4.915,578 4.915,579 4.915,580 2.493,581 4.393,582 4.674,583 3.248,584 1055.67,585 8.133,586 12541.5,588 1,590 1,591 233.329,592 1.296,593 4.648,594 0.133,595 0.004,596 0.076,597 0.045,598 0.042,599 0.023,600 0.013,601 0.016,602 0.009,603 0.007,604 0.367,605 0.33,606 0.88,607 0.465,608 123.689,609 -0.019,610 -0.022,611 0.059,612 0.001,613 -0.037,614 0.037,615 0.037,616 -0.021,617 0.06,618 -0.042,619 0.084,620 -0.001,621 -0.051,622 -0.154,623 0.115,624 -0.016,625 0.063,626 0.063,627 0.067,628 0.202,629 0.093,630 0.174,631 0.054,632 0.145,633 -0.218,634 -0.016,635 -0.216,636 -0.065,637 -0.123,638 -0.116,639 -0.045,640 -0.113,641 -0.227,642 -0.185,643 -0.067,644 -0.227,645 0.036,646 -0.166,647 -0.094,648 -0.202,649 -0.085,650 -0.173,651 0.351,652 0.075,653 0.125,654 0.002,655 0.293,656 0.02,657 1.753,658 5.172,659 0.923,660 19.769,661 1.011,662 1.126,663 3.197,664 10.22,665 0.686,666 3.434,667 3.807,668 4.174,669 4.522,670 4.779,671 4.956,672 5.147,673 5.342,674 5.468,675 5.505,676 5.366,677 0.667,678 347.41,679 3.434,680 5.004,681 5.9,682 6.815,683 7.729,684 8.652,685 9.573,686 10.5,687 11.425,688 12.354,689 11.6,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,716 1,722 1,729 1,731 43,733 18,734 1,735 30,737 47,738 19,739 11,740 3,741 3,742 3,746 5,747 7,755 5,758 5,761 14,762 5,766 2,771 1,773 2,775 1,777 1,778 1,781 17,782 6,783 2,784 7,790 5,794 0.6,795 2,803 1,806 1,811 2,812 3,815 1,816 1,831 1,840 3,848 26,849 1,854 4,856 1,858 1,870 4.7,873 1,875 1,877 12.333,878 7.8,879 5.556,880 2.759,881 3.629,882 1.456,883 1.048,884 3.539,885 11.578,886 3.714,887 4.366,888 5.062,889 5.735,890 6.324,891 6.773,892 7.268,893 7.763,894 8.135,895 8.484,896 0.833,897 45,898 9.62,900 4.299,901 7.737,902 18.423,904 15.951,905 2.237,906 58.167,909 1,910 176.567,911 94.317,912 84.908,914 36.145,917 94.317,918 212.711,919 84.908,921 21.672,922 70.802,923 93.999,924 38.339,925 14.099,926 153.024,928 176.567,929 179.225,930 36.145,933 129.482,934 83.229,937 25.005,938 94.509,939 59.71,941 176.567,942 121.053,943 94.317,946 176.567,947 36.259,948 59.834,950 119.276,951 176.567,952 121.053,953 94.317,955 0.59,956 0.363,957 0.21,958 0.113,959 25,960 10,961 0.043,962 2,963 2,964 1.167,965 3.745,966 244.259,967 0.167,968 24,969 118.211,974 15.534,975 5.924,976 2.447,977 1.485,978 119.276,979 6.947,980 13.429,984 2.97,985 1.98,986 32.897,987 391.936,988 40,993 12.172,995 2.819,997 -0.086,999 43.465,1000 48.402,1001 0.298,1002 0.731,1003 0.851,1004 0.906,1005 0.906,1006 0.906,1007 4.977,1008 1.391,1009 5.9,1010 4.287,1011 4.489,1012 5.053,1013 0.908,1014 6.783,1015 4.424,1016 6.203,1017 1.337,1018 7.498,1019 3.533,1020 4.111,1021 4.945,1023 7.813,1024 4.032,1025 7.534,1026 1.045,1027 9.201,1028 3.393,1029 6.142,1030 7.34,1031 0.739,1032 10.984,1033 6.022,1034 8.908,1035 0.884,1036 10.966,1037 2.57,1038 6.635,1039 8.128,1041 12.874,1042 6.502,1043 10.319,1044 0.675,1045 12.771,1046 2.101,1047 8.116,1048 9.983,1049 0.593,1050 15.562,1051 7.944,1052 11.756,1053 0.618,1054 14.604,1055 1.729,1056 8.995,1057 11.183,1059 17.794,1060 8.804,1061 13.215,1062 -0.105,1063 16.456,1064 1.372,1065 10.276,1066 12.835,1067 0.469,1068 20.33,1069 10.049,1070 3.35,1071 -0.297,1072 18.324,1073 -0.25,1074 11.326,1075 14.224,1077 22.704,1078 11.072,1079 3.031,1080 12.15,1081 20.203,1082 -0.694,1083 12.536,1084 15.801,1085 0.366,1086 25.195,1087 12.248,1088 2.69,1089 10.109,1090 22.091,1091 4.734,1092 13.662,1093 17.275,1095 27.63,1096 13.343,1097 2.412,1098 9.156,1099 23.987,1100 4.042,1101 14.85,1102 18.826,1103 0.283,1104 30.111,1105 14.498,1106 2.003,1107 7.702,1108 25.889,1109 3.285,1110 16.01,1111 20.338,1113 32.575,1114 15.624,1115 1.981,1116 5.7,1117 27.797,1118 3.189,1119 17.195,1120 21.883,1121 0.217,1122 35.057,1123 16.774,1124 1.581,1125 5.688,1126 29.709,1127 2.656,1128 18.371,1129 23.413,1131 37.534,1132 17.916,1133 7087,1134 11641,1135 20.69,1136 29.506,1137 46.302,1138 47.437,1139 47.137,1140 46.038,1141 45.996,1142 60.514,1143 1.72,1144 138.98,1145 44.427,1146 5.667,1147 5.565,1148 6.647,1149 5.397,1150 5.35,1151 7.734,1152 1.72,1153 19.691,1154 5.235,1155 8.913,1156 1.543,1157 1.581,1158 1.571,1159 1.535,1160 1.533,1161 2.017,1162 0.057,1163 4.633,1164 1.481,1165 4.151,1166 4.196,1167 4.13,1168 4.019,1169 7.428,1170 4.039,1171 3.931,1172 3.949,1173 3.893,1174 3.819,1175 5.256,1176 3.832,1177 3.79,1178 3.845,1179 3.667,1180 3.67,1181 4.906,1182 3.664,1183 3.48,1184 3.511,1185 3.415,1186 3.352,1187 4.822,1188 3.362,1189 3.259,1190 3.348,1191 3.185,1192 2.988,1193 4.528,1194 3.028,1195 3.017,1196 3.105,1197 2.933,1198 2.813,1199 4.34,1200 2.829,1201 2.951,1202 2.987,1203 2.861,1204 2.751,1205 4.15,1206 2.763,1207 2.869,1208 2.979,1209 2.634,1210 2.671,1211 3.734,1212 2.635,1213 0.159,1214 0.119,1215 0.235,1216 0.144,1217 0.112,1218 4.765,1219 0.158,1220 3.565,1221 0.029,1222 7.051,1223 0.405,1224 4.315,1225 0.108,1226 3.35,1227 4.734,1228 0.86,1229 12.15,1230 3.235,1231 1.964,1232 1.952,1233 2.028,1234 2.058,1235 1.244,1236 2.046,1237 1.806,1238 1.766,1239 1.894,1240 1.999,1241 1.211,1242 1.968,1243 1.611,1244 1.56,1245 1.86,1246 1.808,1247 1.159,1248 1.796,1249 1.577,1250 1.507,1251 1.766,1252 1.751,1253 0.871,1254 1.793,1255 1.44,1256 1.405,1257 1.596,1258 1.598,1259 0.602,1260 1.599,1261 1.092,1262 1.032,1263 1.239,1264 1.354,1265 0.272,1266 1.334,1267 0.905,1268 0.858,1269 1.159,1270 1.198,1271 0.174,1272 1.187,1273 0.837,1274 0.759,1275 1.064,1276 1.105,1277 0.094,1278 1.092,1279 4.111,1281 5.468,1282 3.045,1283 7.029,1284 5.352,1285 8.687,1286 7.455,1287 10.396,1293 6.164,1295 4.556,1297 5.406,1299 0.325,1305 28.697,1306 69.522,1307 170.535,1308 198.574,1309 211.329,1310 211.329,1311 211.329,1312 38.637,1313 7.95,1314 99.83,1315 99.83,1316 28,1317 12.858,1318 4.248,1319 3.459,1320 33.652,1321 82,1322 78,1323 0.201,1324 171.675,1325 291.58,1326 410.648,1327 29804,1329 17.673,1330 0.68,1331 0.54,1332 17.673,1333 14.053,1334 12.72,1335 0.424,1336 0.291,1337 8.606,1338 12.205,1339 8.491,1340 6.974,1341 12.72,1342 8.728,1343 11.663,1344 0.265,1345 0.152,1346 11.663,1347 6.685,1348 10.602,1349 0.166,1350 0.08,1351 10.602,1352 5.122,1353 9.464,1354 0.104,1355 0.042,1356 9.464,1357 3.832,1358 7.626,1359 0.065,1360 0.02,1361 7.626,1362 2.337,1363 0.303,1364 79.95,1365 0.22,1366 24.386,1367 0.592,1368 148,1369 427.364,1370 163.083,1371 413.135,1372 580.11,1373 388,1374 182,1375 449.293,1376 198.611,1377 450.25,1378 669.49,1379 426,1380 6.463}
{0 CHEMBL1242198,1 1.752,2 6.619,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.954,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.426,19 3.565,20 4.39,21 4.581,22 3.785,23 3.651,24 5.63,25 3.661,26 4.466,27 4.689,28 3.816,29 3.661,30 5.8,31 3.653,32 4.387,33 4.589,34 3.643,35 3.619,36 5.64,37 3.59,38 4.335,39 4.529,40 3.606,41 3.559,42 5.596,43 3.524,44 4.427,45 4.688,46 3.365,47 3.414,48 5.79,49 3.312,50 4.215,51 4.527,52 2.763,53 2.977,54 5.38,55 2.843,56 0.131,57 0.635,58 6.202,59 2.778,60 13.756,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 22.167,67 5.897,68 0.4,69 1.142,70 15.66,71 5.058,72 41.403,73 6.505,74 0.547,75 1.145,76 18.147,77 5.615,78 64.921,79 7.827,80 0.476,81 1.094,82 15.779,83 4.988,84 51.305,85 6.587,86 0.354,87 1.042,88 14.283,89 5.079,90 30.748,91 6.84,92 0.639,93 0.964,94 19.424,95 5.591,96 82.792,97 8.292,98 0.494,99 0.675,100 19.235,101 5.325,102 66.289,103 7.265,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.842,114 -4.52,115 -4.44,116 -4.18,119 40,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 7,177 1,178 1,180 3,183 5,185 1,186 1,187 5,192 1,195 3,198 2,199 6,201 3,202 3,204 2,207 2,209 1,212 5,215 1,217 3,220 3,222 2,224 3,227 1,229 2,232 4,234 2,237 2,240 2,241 1,242 1,244 1,247 1,255 2,258 2,275 527,276 13.723,277 13.723,278 13.723,279 13.723,280 13.723,281 11.815,282 13.271,283 7.865,284 14.088,285 11.35,286 11.35,287 11.35,288 11.35,289 11.35,290 8.404,291 10.203,292 3.721,293 11.963,294 3.378,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.777,303 1,304 1,305 1,306 292,307 2.646,310 38.993,311 106.475,314 74.812,318 1.007,319 29.311,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 139,332 4.76,333 3.381,334 7.04,335 4.302,336 3.339,337 4.732,339 12.09,340 3.218,341 4.17,342 3.026,343 6.169,344 3.743,345 2.779,346 3.829,348 8.966,349 2.672,350 3.801,351 2.665,352 5.816,353 3.459,354 2.509,355 3.205,357 7.831,358 2.381,359 3.564,360 2.439,361 5.249,362 3.143,363 2.197,364 2.946,366 6.461,367 2.069,368 3.232,369 2.291,370 4.818,371 2.801,372 1.879,373 2.481,375 4.963,376 1.712,377 3.024,378 1.818,379 4.618,380 2.681,381 1.741,382 2.172,384 4.817,385 1.634,386 2.918,387 1.472,388 4.36,389 2.383,390 1.443,391 2.094,393 3.878,394 1.351,395 2.483,396 1.038,397 3.854,398 1.98,399 1.027,400 1.476,402 2.729,403 0.976,404 2.113,405 0.83,406 3.483,407 1.745,408 0.787,409 1.011,411 2.008,412 0.752,413 1.063,414 0.198,415 2.711,416 0.634,417 -0.284,418 -0.362,420 -0.669,421 -0.26,422 1,423 -0.057,424 2.426,425 0.575,426 -0.347,427 -0.445,428 -0.891,429 -0.311,430 0.925,431 -0.152,432 2.382,433 0.484,434 -0.449,435 -0.573,436 -1.16,437 -0.405,438 0.643,439 -0.631,440 2.256,441 0.168,442 -0.741,443 -0.947,445 -2,446 -0.672,447 0.287,448 -0.822,449 2.13,451 -0.949,452 -1,454 -2.053,455 -0.865,456 0.041,457 -1,458 1.806,459 -0.042,460 -1,461 -1.173,463 -2.7,464 -1,465 9.619,466 0.458,467 0.703,468 0.033,469 29,470 1.381,471 15,472 0.714,473 14,474 0.667,475 15.158,476 0.722,477 22.781,478 0.651,479 20.788,480 0.99,481 5.661,482 0.27,483 4.308,484 0.205,485 0.21,487 0.457,491 1,493 0.778,494 1.115,495 0.718,496 0.996,497 0.793,498 0.871,499 0.655,500 1.063,501 0.599,502 0.947,503 0.525,504 0.793,505 1.132,506 1.181,507 0.953,508 0.976,509 1.018,510 0.916,511 0.657,512 0.891,513 0.765,514 0.868,515 0.549,516 0.837,517 1.049,518 1.022,519 1.191,520 1.05,521 0.92,522 1.121,523 0.806,524 1.209,525 1.091,526 1.351,527 0.874,528 1.307,529 0.682,530 0.813,531 1.109,532 1.14,533 0.774,534 1.224,535 1.377,536 0.927,537 1.042,538 0.892,539 1.465,540 0.895,541 5,543 2.444,544 2.292,545 1.807,546 0.716,547 0.656,548 0.313,549 0.082,551 3598,552 11771,553 2.018,554 40,556 4,558 1,559 3,561 6,564 1.641,565 1.826,566 2.788,567 1.156,569 1,571 1,573 61.309,574 1.752,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.136,581 4.011,582 4.366,583 2.91,584 611.075,585 7.529,586 6331.53,587 1,588 1,590 1,591 179.525,592 1.545,593 4.289,594 0.217,596 0.072,597 0.065,598 0.052,599 0.025,600 0.024,601 0.017,602 0.009,604 0.482,605 0.5,606 1,607 0.911,608 91.653,609 -0.086,610 -0.056,611 0.01,612 0.034,613 -0.149,614 0.044,615 0.05,616 -0.058,617 0.22,618 0.055,619 0.095,620 0.155,621 -0.195,622 -0.137,623 -0.065,624 -0.016,625 -0.144,626 -0.002,627 0.162,628 0.039,629 0.166,630 0.063,631 0.192,632 0.107,633 -0.14,634 0.02,635 -0.301,636 -0.101,637 -0.073,638 -0.209,639 0.001,640 -0.225,641 -0.222,642 -0.378,643 -0.08,644 -0.366,645 0.258,646 0.064,647 -0.078,648 -0.203,649 0.19,650 -0.233,651 -0.102,652 -0.063,653 0.18,654 0.109,655 -0.05,656 0.202,657 2.215,658 5.523,659 0.714,660 13.234,661 1.022,662 1.146,663 3.287,664 10.808,665 0.664,666 3.178,667 3.555,668 3.85,669 4.205,670 4.443,671 4.575,672 4.635,673 4.7,674 4.605,675 4.522,676 4.466,677 0.653,678 287.33,679 3.178,680 4.745,681 5.617,682 6.535,683 7.434,684 8.36,685 9.27,686 10.198,687 11.114,688 12.043,689 14.3,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,733 16,734 1,735 23,737 37,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,779 1,781 14,782 6,783 3,784 7,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 1,848 21,849 1,853 1,858 1,869 1,870 2.9,872 1,877 11.5,878 6.893,879 4.5,880 2.026,881 3.148,882 1.459,883 0.968,884 3.26,885 10.011,886 3.466,887 4.171,888 4.847,889 5.549,890 6.123,891 6.533,892 6.949,893 7.382,894 7.603,895 7.88,896 1,897 35,898 7.743,900 3.383,901 8.071,902 14.232,904 11.615,905 2.571,906 54,910 129.482,911 76.377,912 84.908,914 42.683,915 14.96,917 76.377,918 172.165,919 99.868,920 17.65,922 61.326,923 106.404,924 28.031,925 17.288,926 117.711,928 129.482,929 161.285,930 57.643,933 73.816,934 113.31,937 32.518,938 78.533,939 50.234,941 144.442,942 127.591,943 76.377,946 129.482,947 21.68,948 56.474,950 140.775,951 129.482,952 142.551,953 76.377,955 0.596,956 0.347,957 0.203,958 0.117,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.135,966 171.304,967 0.133,968 15,969 90.239,974 13.773,975 4.971,976 2.318,977 1.132,978 140.775,979 5.122,980 12.634,984 0.427,985 1.699,986 75.581,987 348.411,988 31,999 35.767,1000 40.117,1001 0.342,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.718,1008 1.027,1009 5.645,1010 3.878,1011 4.234,1012 4.856,1014 6.526,1015 4.135,1016 5.979,1017 0.787,1018 7.249,1019 2.729,1020 4.007,1021 4.856,1023 7.561,1024 3.858,1025 7.323,1026 -0.284,1027 8.952,1028 2.008,1029 5.889,1030 7.194,1032 10.716,1033 5.712,1034 8.705,1035 -0.347,1036 10.713,1037 -0.669,1038 6.431,1039 8.006,1041 12.6,1042 6.213,1043 10.119,1044 -0.449,1045 12.512,1046 -0.891,1047 7.859,1048 9.862,1050 15.303,1051 7.613,1052 11.559,1053 -0.741,1054 14.339,1055 -1.16,1056 8.757,1057 11.069,1059 17.549,1060 8.474,1061 13.019,1062 -0.949,1063 16.187,1064 -2,1065 10.019,1066 12.731,1068 20.102,1069 9.707,1070 3.339,1071 -1,1072 18.053,1073 -2.053,1074 11.081,1075 14.126,1077 22.495,1078 10.732,1079 2.779,1080 12.09,1081 19.932,1082 -2.7,1083 12.287,1084 15.712,1086 25.002,1087 11.907,1088 2.509,1089 8.966,1090 21.823,1091 4.732,1092 13.422,1093 17.192,1095 27.454,1096 13.006,1097 2.197,1098 7.831,1099 23.724,1100 3.829,1101 14.614,1102 18.751,1104 29.947,1105 14.164,1106 1.879,1107 6.461,1108 25.632,1109 3.205,1110 15.783,1111 20.27,1113 32.422,1114 15.296,1115 1.741,1116 4.963,1117 27.546,1118 2.946,1119 16.974,1120 21.821,1122 34.913,1123 16.453,1124 1.443,1125 4.817,1126 29.467,1127 2.481,1128 18.158,1129 23.358,1131 37.398,1132 17.601,1133 3628,1134 6680,1135 14.74,1136 23.228,1137 35.871,1138 35.558,1139 37.595,1140 35.494,1141 35.403,1142 47.89,1144 107.484,1145 33.531,1146 5.43,1147 5.381,1148 6.567,1149 5.375,1150 5.339,1151 7.732,1153 19.563,1154 5.218,1155 12.187,1156 1.56,1157 1.546,1158 1.635,1159 1.543,1160 1.539,1161 2.082,1163 4.673,1164 1.458,1165 4.132,1166 4.179,1167 4.116,1168 3.992,1169 8.201,1170 4.016,1171 3.844,1172 3.871,1173 3.806,1174 3.729,1175 6.47,1176 3.744,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 5.254,1182 3.399,1183 3.208,1184 3.289,1185 3.126,1186 2.984,1187 4.869,1188 3.015,1189 3.004,1190 3.113,1191 2.905,1192 2.743,1193 4.558,1194 2.767,1195 2.966,1196 3.009,1197 2.884,1198 2.693,1199 4.37,1200 2.732,1201 2.874,1202 2.996,1203 2.662,1204 2.618,1205 4.049,1206 2.594,1207 2.775,1208 2.844,1209 2.499,1210 2.586,1211 3.688,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.381,1222 7.04,1223 0.526,1224 4.302,1225 0.14,1226 3.339,1227 4.732,1229 12.09,1230 3.218,1231 1.922,1232 1.903,1233 1.984,1234 2.038,1235 1.152,1236 2.017,1237 1.793,1238 1.745,1239 1.943,1240 1.982,1241 1.097,1242 1.968,1243 1.609,1244 1.545,1245 1.767,1246 1.81,1247 0.822,1248 1.808,1249 1.143,1250 1.085,1251 1.417,1252 1.408,1253 0.469,1254 1.377,1255 0.934,1256 0.824,1257 1.264,1258 1.239,1259 0.272,1260 1.308,1261 0.879,1262 0.804,1263 1.156,1264 1.23,1265 0.078,1266 1.215,1267 0.855,1268 0.781,1269 1.066,1270 1.139,1271 0.04,1272 1.103,1273 0.761,1274 0.669,1275 0.99,1276 1.064,1278 1.053,1279 3.85,1281 5.209,1282 2.398,1283 6.76,1284 4.844,1285 8.407,1286 7.081,1287 10.106,1289 3.912,1291 13.523,1293 5.923,1294 9.575,1299 0.053,1305 22.839,1306 61.309,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 40.069,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.804,1321 55,1322 48,1323 0.294,1324 141.557,1325 232.36,1326 337.159,1327 7124,1328 2.9,1329 15.146,1330 0.721,1331 0.551,1332 14.276,1333 11.578,1334 9.969,1335 0.433,1336 0.281,1337 6.338,1338 9.455,1339 6.154,1340 5.133,1341 9.575,1342 6.457,1343 9.634,1344 0.283,1345 0.148,1346 8.989,1347 5.043,1348 7.614,1349 0.166,1350 0.069,1351 7.376,1352 3.163,1353 7,1354 0.106,1355 0.034,1356 6.511,1357 2.268,1358 5.497,1359 0.065,1360 0.018,1361 5.35,1362 1.509,1363 0.432,1364 63.401,1365 0.26,1366 19.994,1367 0.906,1368 114,1369 404.153,1370 129.371,1371 369.097,1372 500.53,1373 342,1374 137,1375 377.657,1376 152.201,1377 375.025,1378 550.57,1379 352,1380 6.757}
{0 CHEMBL1242199,1 1.706,2 7.217,3 3.04,4 9.242,5 85.72,6 8.035,7 0.615,8 3.809,9 3.932,10 3.434,11 3.324,12 4.992,13 3.333,14 4.337,15 4.503,16 3.836,17 3.745,18 5.499,19 3.734,20 4.615,21 4.838,22 3.855,23 3.814,24 5.705,25 3.781,26 4.583,27 4.822,28 3.909,29 3.759,30 5.84,31 3.749,32 4.488,33 4.683,34 3.801,35 3.762,36 5.707,37 3.741,38 4.484,39 4.675,40 3.77,41 3.758,42 5.663,43 3.72,44 4.56,45 4.793,46 3.639,47 3.675,48 5.866,49 3.589,50 4.48,51 4.767,52 3.073,53 3.385,54 5.546,55 3.244,56 0.117,57 0.705,58 7.216,59 3.292,60 14.963,61 4.037,62 0.212,63 1.138,64 13.598,65 5.774,66 23.42,67 7.467,68 0.411,69 1.326,70 21.532,71 7.036,72 49.995,73 9.653,74 0.579,75 1.272,76 21.564,77 6.288,78 67.048,79 9.027,80 0.471,81 1.249,82 17.538,83 5.495,84 51.55,85 7.273,86 0.368,87 1.231,88 16.925,89 5.994,90 34.203,91 8.042,92 0.584,93 1.208,94 20.765,95 6.869,96 82.639,97 9.82,98 0.52,99 0.957,100 22.7,101 6.735,102 75.925,103 9.078,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.191,113 0.879,114 -5.02,115 -4.92,116 -4.61,119 41,121 4,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 3,183 7,185 1,186 1,187 7,192 1,195 3,198 2,199 8,201 3,202 3,204 2,207 2,209 1,212 7,215 1,217 3,220 5,222 2,224 3,227 1,229 2,232 6,234 2,237 4,240 2,241 1,242 3,244 1,245 4,247 3,255 2,258 2,268 2,271 2,275 669,276 15.585,277 15.585,278 15.585,279 15.585,280 15.585,281 13.677,282 13.271,283 9.085,284 15.932,285 12.87,286 12.87,287 12.87,288 12.87,289 12.87,290 9.938,291 10.203,292 4.336,293 13.472,294 3.58,295 1.366,296 0.891,297 0.564,298 0.564,299 0.564,300 3.884,303 1,304 1,305 1,306 364,307 2.121,310 91.372,311 115.751,314 80.837,318 1.115,319 30.743,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 166,332 4.764,333 3.393,334 7.051,335 4.311,336 3.348,337 4.733,339 12.149,340 3.226,341 4.174,342 3.034,343 6.258,344 3.774,345 2.808,346 3.829,348 9.321,349 2.708,350 3.865,351 2.768,352 5.872,353 3.582,354 2.619,355 3.234,357 8.135,358 2.52,359 3.564,360 2.44,361 5.257,362 3.143,363 2.197,364 2.946,366 6.479,367 2.069,368 3.238,369 2.291,370 5.073,371 2.945,372 1.991,373 2.481,375 5.687,376 1.895,377 3.232,378 2.033,379 4.618,380 2.801,381 1.879,382 2.365,384 4.963,385 1.712,386 2.928,387 1.487,388 4.36,389 2.392,390 1.455,391 2.127,393 3.896,394 1.358,395 2.635,396 1.397,397 4.233,398 2.301,399 1.338,400 1.677,402 3.526,403 1.285,404 2.398,405 1.011,406 3.65,407 1.929,408 0.983,409 1.362,411 2.51,412 0.927,413 1.853,414 0.695,415 3.248,416 1.646,417 0.67,418 0.776,420 1.725,421 0.653,422 1.618,423 0.618,424 3,425 1.618,426 0.618,427 0.618,428 1.372,429 0.618,430 1.063,431 0.198,432 2.711,433 0.636,434 -0.283,435 -0.359,436 -0.667,437 -0.259,438 1,439 -0.057,440 2.462,441 0.575,442 -0.347,443 -0.445,445 -0.891,446 -0.311,447 0.925,448 -0.15,449 2.382,450 0.485,451 -0.448,452 -0.572,454 -1.159,455 -0.405,456 0.648,457 -0.631,458 2.333,459 0.176,460 -0.736,461 -0.946,463 -2.036,464 -0.669,465 10.619,466 0.462,467 0.627,468 0.027,469 30.5,470 1.326,471 15,472 0.652,473 15.5,474 0.674,475 17.82,476 0.775,477 24.781,478 0.635,479 21.388,480 0.93,481 5.636,482 0.245,483 5.495,484 0.239,485 0.096,487 0.414,491 1,493 0.752,494 1.075,495 0.719,496 0.971,497 0.73,498 0.863,499 0.613,500 1.087,501 0.731,502 1.086,503 0.482,504 0.969,505 0.952,506 1.141,507 0.903,508 1.03,509 0.851,510 0.967,511 0.69,512 0.843,513 0.699,514 0.732,515 0.53,516 0.701,517 1.101,518 1.018,519 1.147,520 0.963,521 0.941,522 1.024,523 0.844,524 1.111,525 1.096,526 1.211,527 0.881,528 1.204,529 0.623,530 0.96,531 1.058,532 1.24,533 0.702,534 1.262,535 1.342,536 0.925,537 1.251,538 1.019,539 1.457,540 1.097,541 4.5,543 2.444,544 2.069,545 1.647,546 0.684,547 0.641,548 0.325,549 0.143,550 0.056,551 5080,552 14559,553 2.141,554 41,555 4,556 4,558 1,559 3,561 4,564 1.667,565 2,566 2.895,567 1.075,568 1,569 1,571 1,573 66.521,574 1.706,575 3.919,576 4.394,577 4.721,578 4.721,579 4.721,580 2.285,581 3.501,582 4.496,583 3.033,584 767.367,585 7.791,586 8429.8,587 1,588 1,589 1,590 1,591 206.131,592 1.422,593 4.454,594 0.173,596 0.064,597 0.056,598 0.042,599 0.02,600 0.019,601 0.012,602 0.011,603 0.009,604 0.407,605 0.33,606 1,607 0.58,608 104.07,609 -0.068,610 -0.013,611 0.023,612 0.062,613 -0.081,614 0.063,615 0.05,616 -0.078,617 0.077,618 -0.069,619 0.103,620 -0.011,621 -0.083,622 -0.191,623 0.041,624 -0.062,625 -0.044,626 0.003,627 0.167,628 0.078,629 0.269,630 0.18,631 0.209,632 0.24,633 -0.154,634 0.057,635 -0.257,636 -0.028,637 -0.078,638 -0.131,639 -0.033,640 -0.107,641 -0.228,642 -0.246,643 -0.102,644 -0.274,645 0.271,646 -0.027,647 -0.091,648 -0.271,649 0.221,650 -0.281,651 -0.179,652 -0.016,653 -0.139,654 -0.041,655 -0.186,656 -0.065,657 2.195,658 5.665,659 0.87,660 15.996,661 1.017,662 1.142,663 3.786,664 14.337,665 0.666,666 3.296,667 3.664,668 3.989,669 4.357,670 4.575,671 4.762,672 4.92,673 5.05,674 5.063,675 5.011,676 4.784,677 0.65,678 313.37,679 3.296,680 4.86,681 5.74,682 6.655,683 7.559,684 8.484,685 9.398,686 10.327,687 11.247,688 12.178,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 39,733 16,734 1,735 26,737 42,738 16,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 5,777 1,778 1,779 1,781 16,782 6,783 3,784 7,790 5,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,846 1,848 23,849 1,853 1,854 4,858 1,869 1,870 2.6,872 1,877 11.5,878 6.893,879 4.917,880 2.442,881 3.086,882 1.424,883 1.004,884 3.421,885 10.36,886 3.555,887 4.23,888 4.901,889 5.598,890 6.169,891 6.604,892 7.06,893 7.511,894 7.775,895 8.06,896 0.8,897 37,898 8.533,900 3.823,901 7.935,902 16.084,904 13.804,905 2.435,906 56,910 153.024,911 68.865,912 84.908,914 42.683,915 14.96,917 68.865,918 195.708,919 99.868,921 10.138,922 61.326,923 106.404,924 28.031,925 17.288,926 141.253,928 153.024,929 153.773,930 57.643,933 120.9,934 89.768,937 25.005,938 78.533,939 50.234,941 167.984,942 127.591,943 68.865,946 153.024,947 31.818,948 38.824,950 140.775,951 153.024,952 142.551,953 68.865,955 0.589,956 0.348,957 0.208,958 0.111,959 21,960 9,961 0.048,962 2,963 1,964 1.1,965 3.425,966 200.769,967 0.1,968 20,969 100.042,974 14.401,975 5.463,976 2.433,977 1.257,978 140.775,979 5.264,980 13.007,984 0.585,985 1.873,986 75.581,987 364.441,988 34,999 39.651,1000 44.532,1001 0.323,1002 0.742,1003 0.831,1004 0.893,1005 0.893,1006 0.893,1007 4.812,1008 1.338,1009 5.746,1010 3.896,1011 4.344,1012 4.916,1014 6.619,1015 4.256,1016 6.045,1017 0.983,1018 7.336,1019 3.526,1020 4.007,1021 4.856,1023 7.621,1024 3.858,1025 7.378,1026 0.67,1027 9.028,1028 2.51,1029 5.984,1030 7.22,1032 10.796,1033 5.822,1034 8.752,1035 0.618,1036 10.782,1037 1.725,1038 6.479,1039 8.016,1041 12.675,1042 6.267,1043 10.161,1044 -0.283,1045 12.577,1046 1.372,1047 7.94,1048 9.874,1050 15.379,1051 7.708,1052 11.596,1053 -0.347,1054 14.402,1055 -0.667,1056 8.817,1057 11.076,1059 17.622,1060 8.543,1061 13.053,1062 -0.448,1063 16.249,1064 -0.891,1065 10.091,1066 12.737,1068 20.176,1069 9.788,1070 3.348,1071 -0.736,1072 18.113,1073 -1.159,1074 11.143,1075 14.131,1077 22.568,1078 10.801,1079 2.808,1080 12.149,1081 19.992,1082 -2.036,1083 12.353,1084 15.716,1086 25.075,1087 11.979,1088 2.619,1089 9.321,1090 21.883,1091 4.733,1092 13.483,1093 17.196,1095 27.527,1096 13.071,1097 2.197,1098 8.135,1099 23.782,1100 3.829,1101 14.676,1102 18.755,1104 30.022,1105 14.229,1106 1.991,1107 6.479,1108 25.69,1109 3.234,1110 15.843,1111 20.274,1113 32.498,1114 15.358,1115 1.879,1116 5.687,1117 27.604,1118 2.946,1119 17.035,1120 21.825,1122 34.992,1123 16.513,1124 1.455,1125 4.963,1126 29.524,1127 2.481,1128 18.219,1129 23.361,1131 37.479,1132 17.66,1133 4854,1134 8364,1135 17.512,1136 25.989,1137 39.768,1138 39.804,1139 40.932,1140 39.985,1141 39.811,1142 52.296,1144 119.528,1145 37.943,1146 5.666,1147 5.393,1148 6.646,1149 5.386,1150 5.348,1151 7.733,1153 19.693,1154 5.226,1155 10.073,1156 1.53,1157 1.531,1158 1.574,1159 1.538,1160 1.531,1161 2.011,1163 4.597,1164 1.459,1165 4.145,1166 4.192,1167 4.124,1168 4.003,1169 8.201,1170 4.026,1171 3.865,1172 3.898,1173 3.813,1174 3.764,1175 6.47,1176 3.768,1177 3.775,1178 3.826,1179 3.662,1180 3.65,1181 5.253,1182 3.65,1183 3.285,1184 3.375,1185 3.223,1186 3.015,1187 4.866,1188 3.057,1189 3.036,1190 3.123,1191 2.948,1192 2.82,1193 4.557,1194 2.84,1195 2.966,1196 2.997,1197 2.904,1198 2.743,1199 4.37,1200 2.766,1201 2.869,1202 2.979,1203 2.708,1204 2.671,1205 4.153,1206 2.635,1207 2.857,1208 2.951,1209 2.583,1210 2.601,1211 3.697,1212 2.617,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.764,1219 0.182,1220 3.393,1222 7.051,1223 0.467,1224 4.311,1225 0.124,1226 3.348,1227 4.733,1229 12.149,1230 3.226,1231 1.922,1232 1.903,1233 1.983,1234 2.034,1235 1.243,1236 2.014,1237 1.786,1238 1.741,1239 1.889,1240 1.972,1241 1.211,1242 1.949,1243 1.585,1244 1.528,1245 1.86,1246 1.78,1247 1.105,1248 1.793,1249 1.577,1250 1.507,1251 1.745,1252 1.751,1253 0.832,1254 1.774,1255 1.138,1256 1.083,1257 1.259,1258 1.386,1259 0.29,1260 1.36,1261 0.879,1262 0.824,1263 1.156,1264 1.23,1265 0.1,1266 1.215,1267 0.855,1268 0.782,1269 1.066,1270 1.139,1271 0.094,1272 1.102,1273 0.762,1274 0.671,1275 0.996,1276 1.06,1277 0.078,1278 1.05,1279 3.97,1281 5.323,1282 3.045,1283 6.866,1284 5.352,1285 8.505,1286 7.455,1287 10.199,1291 13.665,1293 6.022,1294 9.678,1295 4.383,1299 0.266,1305 25.366,1306 66.521,1307 152.846,1308 171.376,1309 184.131,1310 184.131,1311 184.131,1312 40.929,1313 7.274,1314 89.85,1315 89.85,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.493,1321 65,1322 56,1323 0.244,1324 153.348,1325 254.6,1326 365.93,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.539,1332 15.104,1333 12.407,1334 11.131,1335 0.428,1336 0.293,1337 7.5,1338 10.626,1339 7.409,1340 6.089,1341 10.737,1342 7.619,1343 10.435,1344 0.275,1345 0.155,1346 9.789,1347 5.887,1348 8.763,1349 0.165,1350 0.082,1351 8.525,1352 4.345,1353 8.161,1354 0.106,1355 0.043,1356 7.672,1357 3.312,1358 6.126,1359 0.064,1360 0.02,1361 5.979,1362 1.9,1363 0.361,1364 70.372,1365 0.239,1366 21.78,1367 0.742,1368 128,1369 418.153,1370 143.371,1371 382.618,1372 522.69,1373 356,1374 155,1375 395.657,1376 170.534,1377 392.297,1378 579.45,1379 370,1380 6.575}
{0 CHEMBL1242200,1 1.716,2 7.318,3 3.158,4 9.974,5 90.649,6 9.533,7 0.667,8 3.757,9 3.881,10 3.538,11 3.29,12 4.912,13 3.275,14 4.259,15 4.439,16 3.969,17 3.669,18 5.354,19 3.641,20 4.413,21 4.591,22 4.045,23 3.803,24 5.506,25 3.756,26 4.521,27 4.732,28 4.172,29 3.837,30 5.638,31 3.779,32 4.504,33 4.713,34 4.069,35 3.832,36 5.54,37 3.741,38 4.438,39 4.618,40 4.045,41 3.792,42 5.534,43 3.683,44 4.515,45 4.772,46 4.011,47 3.648,48 5.566,49 3.502,50 4.321,51 4.606,52 3.618,53 3.41,54 5.162,55 3.186,56 0.073,57 0.598,58 5.273,59 3.142,60 8.593,61 3.908,62 0.246,63 0.915,64 13.942,65 5.425,66 20.822,67 6.765,68 0.255,69 1.068,70 22.391,71 6.318,72 18.854,73 7.698,74 0.375,75 1.159,76 21.031,77 6.96,78 31.668,79 8.966,80 0.338,81 1.103,82 23.366,83 6.917,84 27.003,85 8.923,86 0.255,87 1.032,88 27.48,89 7.163,90 22.614,91 8.754,92 0.492,93 0.974,94 27.08,95 6.965,96 48.295,97 9.632,98 0.313,99 0.69,100 36.173,101 7.81,102 28.199,103 9.614,104 30,105 35,106 0.307,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.149,113 0.955,114 -5.02,115 -4.92,116 -4.61,117 1,119 39.5,120 2,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 9,177 1,178 1,180 1,183 7,185 1,186 1,187 6,195 4,198 2,199 8,201 3,202 3,204 1,207 3,209 1,211 1,212 7,217 2,220 4,222 2,223 1,224 4,229 2,232 4,234 2,236 2,237 4,239 1,240 1,242 2,247 2,250 2,258 4,275 610,276 14.593,277 14.593,278 14.593,279 14.593,280 14.593,281 12.738,282 15.444,283 8.371,284 15.198,285 11.777,286 11.777,287 11.777,288 11.777,289 11.777,290 8.827,291 13.713,292 3.875,293 12.696,294 3.532,295 1.368,296 0.764,297 0.639,298 0.639,299 0.639,300 3.822,303 1,304 1,305 1,306 338,307 2.828,310 41.546,311 113.895,314 79.656,318 1.045,319 17.755,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.25,331 161,332 4.761,333 3.382,334 7.04,335 4.302,336 3.339,337 4.732,338 0.86,339 12.091,340 3.217,341 4.186,342 3.061,343 6.173,344 3.748,345 2.8,346 3.842,348 9.005,349 2.646,350 3.803,351 2.666,352 5.832,353 3.462,354 2.514,355 3.205,357 7.912,358 2.377,359 3.583,360 2.563,361 5.366,362 3.166,363 2.229,364 2.961,366 6.76,367 2.073,368 3.291,369 2.37,370 4.819,371 2.81,372 1.964,373 2.542,375 5.318,376 1.636,377 3.024,378 1.819,379 4.773,380 2.681,381 1.741,382 2.175,384 4.817,385 1.553,386 2.922,387 1.494,388 4.371,389 2.383,390 1.45,391 2.097,393 3.904,394 1.325,395 2.485,396 1.086,397 3.855,398 1.981,399 1.03,400 1.479,402 2.732,403 0.975,404 2.114,405 0.966,406 3.484,407 1.747,408 0.79,409 1.012,411 2.01,412 0.752,413 1.584,414 0.817,415 2.821,416 1.295,417 0.433,418 0.483,420 0.638,421 0.369,422 1.063,423 0.182,424 2.695,425 0.632,426 -0.285,427 -0.362,428 -0.669,429 -0.209,430 0.953,431 -0.151,432 2.426,433 0.441,434 -0.396,435 -0.503,436 -1,437 -0.262,438 0.791,439 -0.385,440 2.259,441 0.335,442 -0.592,443 -0.791,445 -1.627,446 -0.56,447 0.591,448 -0.654,449 2.206,450 0.094,451 -0.831,452 -1,454 -2,455 -0.749,456 0.203,457 -0.828,458 2,460 -1,461 -1.103,463 -2.22,464 -0.869,465 11.167,466 0.508,467 0.665,468 0.03,469 29.5,470 1.341,471 15,472 0.682,473 14.5,474 0.659,475 19.091,476 0.868,477 23.033,478 0.606,479 19.164,480 0.871,481 5.503,482 0.25,483 5.004,484 0.227,485 0.29,487 0.394,493 0.868,494 1.302,495 0.489,496 0.866,497 1.063,498 0.867,499 1.049,500 0.973,501 0.54,502 0.638,503 0.703,504 0.647,505 1.195,506 1.209,507 0.986,508 0.95,509 0.953,510 0.905,511 0.782,512 0.961,513 0.617,514 0.819,515 0.867,516 0.856,517 1.007,518 1.066,519 0.879,520 0.947,521 0.918,522 1.013,523 0.962,524 1.389,525 1.387,526 1.413,527 1.246,528 1.353,529 0.794,530 0.929,531 0.806,532 0.982,533 1.211,534 1.069,535 1.14,536 0.774,537 1.444,538 1.073,539 0.789,540 0.994,541 5,543 2.444,544 2.292,545 1.927,546 0.778,547 0.656,548 0.385,549 0.143,550 0.016,551 4085,552 12594,553 2.017,554 42.1,556 7,558 1,559 2,561 6,564 1.654,565 1.833,566 2.893,567 0.393,568 1,569 1,573 65.208,574 1.716,575 3.88,576 4.484,577 4.609,578 4.609,579 4.609,580 2.22,581 4.187,582 4.432,583 2.999,584 692.71,585 7.662,586 7393.89,587 1,588 1,589 1,590 1,591 199.421,592 1.544,593 4.36,594 0.208,596 0.07,597 0.062,598 0.052,599 0.024,600 0.023,601 0.018,602 0.011,603 0.005,604 0.474,605 0.33,606 1,607 1.003,608 98.008,609 -0.021,610 -0.11,611 0.003,612 -0.04,613 -0.185,614 -0.006,615 0.01,616 0.109,617 0.069,618 0.219,619 0.169,620 0.251,621 -0.19,622 -0.106,623 -0.077,624 -0.021,625 -0.085,626 -0.004,627 0.142,628 0.113,629 0.069,630 0.039,631 0.122,632 0.05,633 -0.108,634 -0.013,635 -0.024,636 -0.026,637 -0.043,638 -0.084,639 -0.072,640 -0.336,641 -0.145,642 -0.365,643 -0.214,644 -0.397,645 0.196,646 0.008,647 0.081,648 -0.051,649 -0.004,650 -0.098,651 -0.066,652 -0.013,653 -0.015,654 0.084,655 0.145,656 0.112,657 1.245,658 2.069,659 0.682,660 14.455,661 1.01,662 1.132,663 3.786,664 14.337,665 0.695,666 3.219,667 3.584,668 3.892,669 4.234,670 4.489,671 4.615,672 4.7,673 4.771,674 4.71,675 4.644,676 4.67,677 0.658,678 362.26,679 3.219,680 4.779,681 5.652,682 6.567,683 7.468,684 8.39,685 9.302,686 10.228,687 11.145,688 12.072,689 13.2,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 1,730 1,731 38,733 16,734 1,735 24,736 1,737 40,738 15,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 4,777 1,778 1,781 16,782 5,783 2,784 7,785 1,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,843 1,844 3,848 22,849 1,856 1,858 1,869 1,870 2.6,875 1,877 12,878 7.86,879 4.833,880 2.184,881 3.163,882 1.454,883 0.984,884 4.062,885 10.125,886 3.497,887 4.186,888 4.87,889 5.566,890 6.147,891 6.557,892 6.987,893 7.416,894 7.656,895 7.944,896 0.8,897 37,898 8.058,900 3.356,901 7.693,902 15.315,904 12.284,905 2.193,906 48.25,910 164.795,911 86.438,912 130.862,914 11,917 132.392,918 175.795,919 84.908,920 28.533,922 61.326,923 63.72,924 38.209,925 2.328,926 153.024,927 45.954,928 164.795,929 171.346,930 11,932 45.954,933 94.169,934 81.626,937 32.518,938 88.594,939 50.234,940 45.954,941 164.795,942 95.908,943 132.392,946 164.795,947 20.857,948 67.357,949 45.954,950 94.131,951 164.795,952 95.908,953 132.392,955 0.588,956 0.352,957 0.203,958 0.12,959 18,960 9,961 0.075,962 3,963 1,964 1.133,965 3.221,966 181.909,967 0.133,968 15,969 96.107,974 15.254,975 5.859,976 2.72,977 1.493,978 94.131,979 7.25,980 13.137,984 3.723,985 1.857,986 32.897,987 393.095,988 32,999 38.367,1000 43.034,1001 0.327,1002 0.739,1003 0.854,1004 0.878,1005 0.878,1006 0.878,1007 4.745,1008 1.03,1009 5.673,1010 3.904,1011 4.263,1012 4.871,1013 0.908,1014 6.553,1015 4.13,1016 5.996,1017 0.79,1018 7.276,1019 2.732,1020 4.007,1021 4.856,1023 7.588,1024 3.806,1025 7.338,1026 0.433,1027 8.978,1028 2.01,1029 5.916,1030 7.204,1031 0.739,1032 10.739,1033 5.696,1034 8.719,1035 -0.285,1036 10.738,1037 0.638,1038 6.447,1039 8.014,1041 12.62,1042 6.183,1043 10.133,1044 -0.396,1045 12.536,1046 -0.669,1047 7.883,1048 9.87,1049 0.593,1050 15.318,1051 7.595,1052 11.572,1053 -0.592,1054 14.361,1055 -1,1056 8.775,1057 11.076,1059 17.56,1060 8.451,1061 13.032,1062 -0.831,1063 16.208,1064 -1.627,1065 10.038,1066 12.737,1067 0.469,1068 20.11,1069 9.689,1070 3.339,1071 -1,1072 18.072,1073 -2,1074 11.097,1075 14.131,1077 22.502,1078 10.713,1079 2.8,1080 12.091,1081 19.949,1082 -2.22,1083 12.303,1084 15.716,1085 0.366,1086 25.007,1087 11.89,1088 2.514,1089 9.005,1090 21.838,1091 4.732,1092 13.436,1093 17.196,1095 27.458,1096 12.988,1097 2.229,1098 7.912,1099 23.737,1100 3.842,1101 14.627,1102 18.755,1103 0.283,1104 29.95,1105 14.148,1106 1.964,1107 6.76,1108 25.643,1109 3.205,1110 15.794,1111 20.273,1113 32.425,1114 15.28,1115 1.741,1116 5.318,1117 27.556,1118 2.961,1119 16.984,1120 21.824,1121 0.217,1122 34.915,1123 16.437,1124 1.45,1125 4.817,1126 29.475,1127 2.542,1128 18.168,1129 23.36,1131 37.4,1132 17.586,1133 4127,1134 7369,1135 15.433,1136 26.404,1137 36.838,1138 37.148,1139 38.927,1140 36.732,1141 36.58,1142 49.059,1143 1.72,1144 110.372,1145 33.841,1146 5.442,1147 5.382,1148 6.574,1149 5.375,1150 5.339,1151 7.732,1152 1.72,1153 19.565,1154 5.217,1155 12.691,1156 1.535,1157 1.548,1158 1.622,1159 1.53,1160 1.524,1161 2.044,1162 0.072,1163 4.599,1164 1.41,1165 4.132,1166 4.179,1167 6.88,1168 4.002,1169 5.256,1170 4.019,1171 3.845,1172 3.866,1173 4.108,1174 3.761,1175 4.904,1176 3.761,1177 3.576,1178 3.654,1179 3.717,1180 3.407,1181 4.803,1182 3.399,1183 3.276,1184 3.34,1185 3.445,1186 3.021,1187 4.513,1188 3.046,1189 3.17,1190 3.252,1191 3.153,1192 2.994,1193 4.346,1194 2.967,1195 3,1196 3.108,1197 2.962,1198 2.738,1199 4.07,1200 2.74,1201 2.874,1202 3.009,1203 2.862,1204 2.674,1205 3.736,1206 2.668,1207 2.804,1208 2.852,1209 2.556,1210 2.618,1211 3.611,1212 2.57,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.761,1219 0.197,1220 3.382,1221 0.036,1222 7.04,1223 0.504,1224 4.302,1225 0.134,1226 3.339,1227 4.732,1228 0.86,1229 12.091,1230 3.217,1231 1.927,1232 1.911,1233 1.973,1234 2.035,1235 1.156,1236 2.015,1237 1.795,1238 1.749,1239 1.941,1240 1.972,1241 1.119,1242 1.966,1243 1.611,1244 1.548,1245 1.766,1246 1.808,1247 0.837,1248 1.809,1249 1.216,1250 1.152,1251 1.564,1252 1.517,1253 0.573,1254 1.532,1255 1.113,1256 1.049,1257 1.417,1258 1.38,1259 0.469,1260 1.36,1261 0.934,1262 0.804,1263 1.249,1264 1.239,1265 0.284,1266 1.308,1267 0.877,1268 0.787,1269 1.142,1270 1.206,1271 0.113,1272 1.198,1273 0.781,1274 0.726,1275 0.99,1276 1.056,1277 0.04,1278 1.05,1279 3.892,1281 5.242,1282 2.398,1283 6.79,1284 4.844,1285 8.435,1286 7.081,1287 10.133,1288 3.492,1289 5.736,1293 6.069,1297 5.327,1299 0.166,1305 25.008,1306 65.208,1307 147.447,1308 170.402,1309 175.157,1310 175.157,1311 175.157,1312 30.321,1313 6.961,1314 78.85,1315 78.85,1316 17,1317 12.578,1318 4.087,1319 3.17,1320 34.088,1321 60,1322 64,1323 0.287,1324 161.865,1325 262.87,1326 386.711,1327 8101,1328 2.6,1329 15.853,1330 0.721,1331 0.642,1332 16.853,1333 14.125,1334 10.507,1335 0.438,1336 0.318,1337 6.774,1338 9.453,1339 6.463,1340 5.42,1341 11.085,1342 7.639,1343 9.803,1344 0.28,1345 0.175,1346 10.62,1347 6.14,1348 8.053,1349 0.168,1350 0.08,1351 8.525,1352 3.846,1353 7.126,1354 0.105,1355 0.042,1356 7.763,1357 2.847,1358 5.888,1359 0.067,1360 0.022,1361 6.422,1362 1.957,1363 0.423,1364 74.673,1365 0.255,1366 20.889,1367 0.873,1368 118,1369 352.283,1370 196.186,1371 379.052,1372 517.21,1373 354,1374 142,1375 369.572,1376 183.552,1377 387.389,1378 567.99,1379 362,1380 5.2}
{0 CHEMBL1242201,1 1.617,2 8.625,3 2.818,4 7.942,5 91.967,6 7.568,7 0.593,8 3.894,9 4.017,10 3.476,11 3.384,12 5.029,13 3.387,14 4.427,15 4.599,16 3.854,17 3.796,18 5.483,19 3.779,20 4.658,21 4.87,22 3.922,23 3.889,24 5.718,25 3.851,26 4.677,27 4.904,28 3.919,29 3.878,30 5.776,31 3.846,32 4.636,33 4.845,34 3.798,35 3.884,36 5.708,37 3.826,38 4.601,39 4.82,40 3.753,41 3.841,42 5.641,43 3.77,44 4.6,45 4.828,46 3.629,47 3.752,48 5.705,49 3.656,50 4.567,51 4.844,52 3.261,53 3.54,54 5.535,55 3.395,56 0.092,57 0.681,58 8.907,59 3.65,60 11.429,61 4.784,62 0.238,63 1.084,64 16.824,65 6.236,66 21.179,67 8.482,68 0.365,69 1.272,70 22.735,71 7.287,72 34.704,73 10.711,74 0.452,75 1.297,76 23.82,77 7.02,78 40.605,79 10.285,80 0.386,81 1.255,82 22.036,83 6.76,84 42.712,85 9.879,86 0.33,87 1.192,88 21.297,89 7.004,90 30.481,91 10.343,92 0.411,93 1.112,94 21.897,95 7.119,96 50.846,97 10.546,98 0.491,99 0.917,100 23.572,101 6.986,102 54.187,103 10.445,104 11,105 39,106 0.281,107 0.661,108 0.783,109 0.835,110 0.835,111 0.835,112 3.23,113 0.894,114 -4.38,115 -4.31,116 -4.07,119 39.5,121 4,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 8,177 1,178 1,180 2,183 6,185 1,186 1,187 9,190 1,192 2,195 3,198 2,199 10,201 3,202 3,204 2,207 3,209 1,212 7,215 1,217 3,220 4,222 2,223 1,224 5,227 1,229 3,232 6,234 3,236 1,237 2,240 2,241 1,242 2,244 1,245 6,247 2,249 2,252 1,253 1,255 2,258 2,263 2,268 2,275 780,276 16.508,277 16.508,278 16.508,279 16.508,280 16.508,281 14.624,282 14.563,283 9.557,284 16.958,285 13.259,286 13.259,287 13.259,288 13.259,289 13.259,290 10.328,291 12.292,292 4.417,293 13.92,294 3.809,295 1.623,296 0.919,297 0.622,298 0.622,299 0.622,300 3.925,303 1,304 1,305 1,306 454,307 2.345,310 98.979,311 124.642,314 88.212,318 1.24,319 24.231,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 207,332 4.764,333 3.392,334 7.05,335 4.311,336 3.348,337 4.733,338 0.86,339 12.146,340 3.225,341 4.24,342 3.116,343 6.268,344 3.827,345 2.87,346 3.897,348 9.348,349 2.746,350 3.881,351 2.788,352 6.049,353 3.623,354 2.662,355 3.246,357 8.606,358 2.556,359 3.699,360 2.451,361 5.73,362 3.302,363 2.35,364 3.104,366 7.54,367 2.23,368 3.239,369 2.043,370 5.079,371 2.949,372 1.995,373 2.365,375 5.69,376 1.898,377 3.008,378 1.929,379 4.502,380 2.472,381 1.544,382 2.245,384 4.255,385 1.429,386 2.847,387 1.536,388 4.236,389 2.409,390 1.463,391 1.978,393 3.654,394 1.377,395 2.639,396 1.409,397 4.146,398 2.307,399 1.343,400 1.685,402 3.527,403 1.291,404 2.455,405 1.144,406 3.664,407 1.991,408 1.057,409 1.441,411 2.578,412 0.984,413 1.867,414 0.937,415 3.25,416 1.675,417 0.704,418 0.8,420 1.753,421 0.681,422 1.755,423 0.694,424 3,425 1.618,426 0.618,427 0.646,428 1.372,429 0.618,430 1.618,431 0.618,432 2.952,433 1.442,434 0.553,435 0.618,436 0.984,437 0.488,438 1.061,439 0.199,440 2.597,441 0.652,442 -0.257,443 -0.308,445 -0.474,446 -0.23,447 0.966,448 -0.149,449 2.46,450 0.592,451 -0.31,452 -0.386,454 -0.694,455 -0.278,456 0.773,457 -0.437,458 2.333,459 0.342,460 -0.611,461 -0.799,463 -1.675,464 -0.578,465 11.167,466 0.465,467 0.572,468 0.024,469 31.75,470 1.323,471 15.5,472 0.646,473 16.25,474 0.677,475 18.991,476 0.791,477 26.033,478 0.605,479 22.389,480 0.933,481 5.932,482 0.247,483 5.754,484 0.24,485 0.11,487 0.394,493 0.932,494 1.272,495 0.784,496 1.068,497 0.987,498 0.925,499 0.904,500 1.108,501 0.796,502 0.986,503 0.61,504 0.895,505 0.837,506 1.252,507 0.839,508 1.045,509 0.688,510 0.953,511 1.032,512 0.935,513 0.895,514 0.831,515 0.906,516 0.828,517 1.127,518 1.105,519 1.167,520 1.018,521 1.22,522 1.071,523 0.782,524 1.139,525 1.035,526 1.119,527 0.926,528 1.108,529 0.732,530 1.158,531 1.108,532 1.254,533 0.925,534 1.245,535 0.97,536 0.786,537 1.1,538 1.005,539 1.258,540 1.064,541 4,542 0.032,543 3.111,544 1.944,545 1.687,546 0.858,547 0.551,548 0.398,549 0.228,550 0.097,551 5813,552 15028,553 2.135,554 44.2,555 4,556 7,558 1,559 3,561 4,564 1.676,565 2,566 3.078,567 1.039,568 1,569 1,571 1,573 69.522,574 1.617,575 3.804,576 4.507,577 4.804,578 4.804,579 4.804,580 2.507,581 4.137,582 4.554,583 3.196,584 882.164,585 7.899,586 9905.6,588 1,590 1,591 233.329,592 1.406,593 4.518,594 0.148,595 0.006,596 0.08,597 0.049,598 0.042,599 0.025,600 0.017,601 0.015,602 0.013,603 0.009,604 0.403,605 0.33,606 1,607 0.757,608 111.068,609 -0.061,610 -0.049,611 0.045,612 0.006,613 -0.102,614 0.037,615 0.004,616 0.013,617 0.096,618 0.048,619 0.088,620 0.076,621 0.078,622 -0.21,623 0.104,624 -0.059,625 0.15,626 0.015,627 -0.031,628 0.126,629 0.073,630 0.105,631 0.026,632 0.105,633 -0.202,634 -0.013,635 -0.238,636 -0.054,637 -0.177,638 -0.133,639 0.006,640 -0.077,641 -0.113,642 -0.132,643 -0.064,644 -0.136,645 0.147,646 -0.151,647 -0.158,648 -0.275,649 0.092,650 -0.271,651 0.066,652 0.075,653 -0.064,654 -0.053,655 -0.069,656 -0.072,657 1.603,658 4.09,659 0.833,660 18.125,661 1.008,662 1.135,663 3.148,664 9.911,665 0.657,666 3.332,667 3.689,668 4.043,669 4.369,670 4.595,671 4.787,672 4.956,673 5.1,674 5.147,675 5.106,676 5.139,677 0.633,678 325.41,679 3.332,680 4.89,681 5.778,682 6.686,683 7.594,684 8.513,685 9.431,686 10.355,687 11.278,688 12.204,689 11.6,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 43,733 16,734 1,735 27,737 46,738 17,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 6,777 1,778 1,781 19,782 6,783 3,784 7,790 5,794 0.75,795 2,803 1,806 1,811 2,812 2,815 1,840 3,844 1,848 24,849 1,853 1,854 4,856 1,858 1,870 4.7,872 1,875 1,877 12,878 7.917,879 5.278,880 2.622,881 3.091,882 1.42,883 0.984,884 3.866,885 10.455,886 3.584,887 4.245,888 4.934,889 5.604,890 6.183,891 6.62,892 7.088,893 7.546,894 7.841,895 8.119,896 0.833,897 40,898 8.858,900 3.85,901 7.729,902 16.972,904 14.327,905 2.229,906 53.5,909 1,910 188.338,911 75.87,912 84.908,914 53.683,917 75.87,918 242.021,919 84.908,920 10.883,921 10.138,922 61.326,923 106.404,924 35.154,925 2.328,926 176.567,928 188.338,929 160.778,930 53.683,933 141.253,934 100.768,937 25.005,938 85.539,939 50.234,941 188.338,942 138.591,943 75.87,946 188.338,947 27.94,948 49.707,950 136.814,951 188.338,952 138.591,953 75.87,955 0.584,956 0.363,957 0.206,958 0.106,959 21,960 9,961 0.065,962 3,963 1,964 1.1,965 3.523,966 210.86,967 0.1,968 20,969 106.039,974 15.364,975 6.039,976 2.556,977 1.48,978 136.814,979 6.67,980 13.308,984 2.329,985 1.969,986 75.581,987 402.799,988 35,999 43.349,1000 48.817,1001 0.298,1002 0.701,1003 0.831,1004 0.885,1005 0.885,1006 0.885,1007 4.836,1008 1.343,1009 5.778,1010 3.654,1011 4.369,1012 4.931,1013 0.908,1014 6.655,1015 4.279,1016 6.061,1017 1.057,1018 7.376,1019 3.527,1020 4.007,1021 4.856,1023 7.689,1024 3.871,1025 7.395,1026 0.704,1027 9.078,1028 2.578,1029 6.019,1030 7.237,1031 0.739,1032 10.849,1033 5.852,1034 8.773,1035 0.618,1036 10.842,1037 1.753,1038 6.524,1039 8.046,1041 12.74,1042 6.312,1043 10.187,1044 0.553,1045 12.645,1046 1.372,1047 7.989,1048 9.899,1049 0.593,1050 15.427,1051 7.748,1052 11.627,1053 -0.257,1054 14.475,1055 0.984,1056 8.874,1057 11.108,1059 17.665,1060 8.59,1061 13.088,1062 -0.31,1063 16.326,1064 -0.474,1065 10.145,1066 12.764,1067 0.469,1068 20.207,1069 9.83,1070 3.348,1071 -0.611,1072 18.191,1073 -0.694,1074 11.198,1075 14.158,1077 22.592,1078 10.843,1079 2.87,1080 12.146,1081 20.069,1082 -1.675,1083 12.403,1084 15.739,1085 0.366,1086 25.092,1087 12.016,1088 2.662,1089 9.348,1090 21.956,1091 4.733,1092 13.531,1093 17.217,1095 27.539,1096 13.106,1097 2.35,1098 8.606,1099 23.852,1100 3.897,1101 14.72,1102 18.773,1103 0.283,1104 30.03,1105 14.26,1106 1.995,1107 7.54,1108 25.755,1109 3.246,1110 15.883,1111 20.29,1113 32.503,1114 15.385,1115 1.544,1116 5.69,1117 27.664,1118 3.104,1119 17.07,1120 21.839,1121 0.217,1122 34.994,1123 16.538,1124 1.463,1125 4.255,1126 29.578,1127 2.365,1128 18.25,1129 23.373,1131 37.48,1132 17.681,1133 5574,1134 9098,1135 18.205,1136 28.267,1137 40.913,1138 41.254,1139 42.517,1140 41.097,1141 41.011,1142 53.516,1143 1.72,1144 122.904,1145 39.046,1146 5.665,1147 5.392,1148 6.646,1149 5.386,1150 5.348,1151 7.733,1152 1.72,1153 19.684,1154 5.225,1155 10.546,1156 1.515,1157 1.528,1158 1.575,1159 1.522,1160 1.519,1161 1.982,1162 0.064,1163 4.552,1164 1.446,1165 4.145,1166 4.192,1167 4.124,1168 4.004,1169 6.47,1170 4.026,1171 3.867,1172 3.896,1173 3.811,1174 3.766,1175 5.254,1176 3.77,1177 3.778,1178 3.827,1179 3.662,1180 3.651,1181 4.877,1182 3.651,1183 3.315,1184 3.392,1185 3.242,1186 3.05,1187 4.749,1188 3.086,1189 3.209,1190 3.29,1191 3.055,1192 2.917,1193 4.517,1194 2.939,1195 3.008,1196 3.104,1197 2.884,1198 2.768,1199 4.299,1200 2.78,1201 2.932,1202 2.979,1203 2.804,1204 2.745,1205 4.138,1206 2.746,1207 2.869,1208 2.973,1209 2.617,1210 2.671,1211 3.694,1212 2.635,1213 0.176,1214 0.126,1215 0.261,1216 0.16,1217 0.124,1218 4.764,1219 0.175,1220 3.392,1221 0.032,1222 7.05,1223 0.45,1224 4.311,1225 0.119,1226 3.348,1227 4.733,1228 0.86,1229 12.146,1230 3.225,1231 1.924,1232 1.907,1233 1.99,1234 2.035,1235 1.243,1236 2.016,1237 1.787,1238 1.744,1239 1.89,1240 1.976,1241 1.211,1242 1.952,1243 1.587,1244 1.531,1245 1.86,1246 1.785,1247 1.116,1248 1.793,1249 1.577,1250 1.507,1251 1.749,1252 1.751,1253 0.84,1254 1.778,1255 1.226,1256 1.167,1257 1.568,1258 1.52,1259 0.574,1260 1.535,1261 1.072,1262 0.991,1263 1.24,1264 1.362,1265 0.274,1266 1.341,1267 0.883,1268 0.839,1269 1.149,1270 1.209,1271 0.148,1272 1.189,1273 0.856,1274 0.766,1275 1.107,1276 1.132,1277 0.094,1278 1.129,1279 4.007,1281 5.352,1282 3.045,1283 6.899,1284 5.352,1285 8.541,1286 7.455,1287 10.236,1289 1.519,1293 6.109,1294 10.09,1295 4.582,1297 5.109,1299 0.336,1305 27.224,1306 69.522,1307 163.555,1308 193.82,1309 206.574,1310 206.574,1311 206.574,1312 36.271,1313 7.364,1314 99.08,1315 99.08,1316 22,1317 12.709,1318 4.087,1319 3.17,1320 33.584,1321 72,1322 86,1323 0.232,1324 165.739,1325 274.62,1326 396.163,1327 13619,1329 16.681,1330 0.695,1331 0.56,1332 16.681,1333 13.437,1334 11.686,1335 0.433,1336 0.298,1337 7.913,1338 11.151,1339 7.76,1340 6.423,1341 11.686,1342 8.048,1343 10.476,1344 0.269,1345 0.156,1346 10.476,1347 6.076,1348 9.46,1349 0.169,1350 0.083,1351 9.46,1352 4.641,1353 8.298,1354 0.106,1355 0.044,1356 8.298,1357 3.438,1358 6.28,1359 0.064,1360 0.02,1361 6.28,1362 1.98,1363 0.348,1364 73.951,1365 0.234,1366 22.771,1367 0.689,1368 132,1369 379.778,1370 146.418,1371 366.592,1372 512.27,1373 344,1374 161,1375 393.869,1376 177.057,1377 396.967,1378 586.7,1379 373,1380 7.167}
{0 CHEMBL1242202,1 1.591,2 9.12,3 3.07,4 9.424,5 96.515,6 7.379,7 0.571,8 3.951,9 4.076,10 3.512,11 3.442,12 5.071,13 3.438,14 4.492,15 4.67,16 3.9,17 3.863,18 5.523,19 3.838,20 4.737,21 4.945,22 3.974,23 3.984,24 5.776,25 3.933,26 4.82,27 5.066,28 3.956,29 3.979,30 5.849,31 3.919,32 4.741,33 4.973,34 3.849,35 3.945,36 5.768,37 3.879,38 4.662,39 4.879,40 3.831,41 3.913,42 5.708,43 3.846,44 4.688,45 4.914,46 3.719,47 3.86,48 5.776,49 3.764,50 4.654,51 4.917,52 3.43,53 3.693,54 5.635,55 3.555,56 0.081,57 0.72,58 9.864,59 3.983,60 11.928,61 5.337,62 0.228,63 1.151,64 18.545,65 6.821,66 22.565,67 9.452,68 0.336,69 1.381,70 24.743,71 8.161,72 35.114,73 12.049,74 0.456,75 1.44,76 28.418,77 8.496,78 45.705,79 12.798,80 0.417,81 1.354,82 25.734,83 7.453,84 46.337,85 11.384,86 0.328,87 1.281,88 22.96,89 7.338,90 31.822,91 11.027,92 0.422,93 1.229,94 24.135,95 7.745,96 53.463,97 11.592,98 0.448,99 1.045,100 24.972,101 7.833,102 52.135,103 11.646,104 18,105 41,106 0.273,107 0.661,108 0.829,109 0.882,110 0.882,111 0.882,112 3.269,113 0.905,114 -4.62,115 -4.54,116 -4.27,119 39.1,120 1,121 3,122 1,124 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 8,177 1,178 1,180 2,183 8,185 1,186 1,187 9,190 1,192 2,195 4,198 2,199 11,201 3,202 3,204 2,207 3,209 1,212 8,215 1,217 3,220 4,222 2,223 1,224 6,227 1,229 3,232 7,234 3,236 1,237 2,240 2,241 1,242 2,244 1,245 7,247 2,249 2,250 1,252 1,253 1,255 3,258 4,260 1,263 2,268 2,271 1,275 872,276 16.955,277 16.955,278 16.955,279 16.955,280 16.955,281 15.072,282 14.563,283 9.693,284 17.406,285 13.742,286 13.742,287 13.742,288 13.742,289 13.742,290 10.811,291 12.292,292 4.496,293 14.402,294 3.933,295 1.67,296 0.691,297 0.381,298 0.381,299 0.381,300 3.962,303 1,304 1,305 1,306 496,307 2.449,310 104.893,311 131.024,314 93.168,318 1.264,319 25.051,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 228,332 4.764,333 3.395,334 7.051,335 4.313,336 3.35,337 4.733,338 0.86,339 12.15,340 3.228,341 4.24,342 3.117,343 6.28,344 3.842,345 2.88,346 3.897,348 9.406,349 2.774,350 3.913,351 2.838,352 6.055,353 3.698,354 2.73,355 3.253,357 8.644,358 2.639,359 3.701,360 2.454,361 5.738,362 3.311,363 2.357,364 3.104,366 7.582,367 2.242,368 3.431,369 2.277,370 5.257,371 3.188,372 2.227,373 2.542,375 6.411,376 2.135,377 3.011,378 1.934,379 4.751,380 2.617,381 1.665,382 2.25,384 4.851,385 1.581,386 2.876,387 1.736,388 4.502,389 2.471,390 1.542,391 1.978,393 4.247,394 1.428,395 2.847,396 1.532,397 4.15,398 2.408,399 1.461,400 1.954,402 3.649,403 1.377,404 2.525,405 1.145,406 4.041,407 2.031,408 1.083,409 1.535,411 2.956,412 1.024,413 2.171,414 1.011,415 3.607,416 1.884,417 0.923,418 1.107,420 2.338,421 0.884,422 1.765,423 0.883,424 3.267,425 1.645,426 0.658,427 0.688,428 1.63,429 0.647,430 1.686,431 0.652,432 2.952,433 1.444,434 0.557,435 0.642,436 0.987,437 0.49,438 1.065,439 0.2,440 2.597,441 0.655,442 -0.255,443 -0.306,445 -0.474,446 -0.229,447 0.966,448 -0.142,449 2.541,450 0.596,451 -0.306,452 -0.379,454 -0.684,455 -0.274,456 0.774,457 -0.435,458 2.371,459 0.343,460 -0.611,461 -0.738,463 -1.675,464 -0.578,465 11.667,466 0.467,467 0.678,468 0.027,469 32.25,470 1.29,471 15.5,472 0.62,473 16.75,474 0.67,475 21.344,476 0.854,477 27.333,478 0.594,479 23.019,480 0.921,481 5.932,482 0.237,483 6.148,484 0.246,485 0.149,487 0.42,493 0.926,494 1.284,495 0.806,496 1.091,497 1.001,498 0.953,499 0.887,500 1.088,501 0.781,502 0.966,503 0.598,504 0.877,505 0.821,506 1.293,507 0.895,508 1.119,509 0.686,510 1.031,511 0.926,512 0.961,513 0.87,514 0.877,515 0.821,516 0.861,517 1.113,518 1.023,519 1.071,520 0.897,521 1.138,522 0.947,523 0.838,524 1.145,525 1.04,526 1.086,527 0.962,528 1.078,529 0.782,530 1.134,531 1.131,532 1.217,533 0.955,534 1.222,535 0.921,536 0.92,537 1.093,538 1.097,539 1.182,540 1.123,541 5,542 0.061,543 3.333,544 2.264,545 1.812,546 0.914,547 0.677,548 0.524,549 0.28,550 0.127,551 6442,552 16119,553 2.105,554 45.7,555 6,556 7,558 1,559 3,561 4,564 1.687,565 1.948,566 3.148,567 1.005,568 1,569 1,573 73.177,574 1.591,575 3.854,576 4.833,577 5.143,578 5.143,579 5.143,580 2.634,581 4.324,582 4.612,583 3.258,584 977.419,585 8.016,586 11310.8,588 1,590 1,591 254.084,592 1.473,593 4.565,594 0.179,595 0.009,596 0.081,597 0.054,598 0.044,599 0.025,600 0.019,601 0.017,602 0.013,603 0.01,604 0.451,605 0.33,606 1,607 0.795,608 117.609,609 -0.048,610 -0.047,611 0.048,612 0.004,613 -0.106,614 0.035,615 0.021,616 0.039,617 0.127,618 0.081,619 0.106,620 0.11,621 0.077,622 -0.23,623 0.042,624 -0.114,625 0.136,626 -0.053,627 0.023,628 0.06,629 0.11,630 0.07,631 0.065,632 0.095,633 -0.167,634 0.044,635 -0.109,636 0.053,637 -0.117,638 -0.002,639 -0.015,640 -0.051,641 -0.111,642 -0.101,643 -0.074,644 -0.113,645 0.111,646 -0.095,647 -0.183,648 -0.237,649 0.061,650 -0.253,651 0.078,652 -0.017,653 -0.093,654 -0.127,655 -0.033,656 -0.134,657 1.604,658 4.125,659 0.8,660 19.485,661 1.005,662 1.135,663 3.386,664 11.463,665 0.653,666 3.367,667 3.738,668 4.078,669 4.407,670 4.644,671 4.828,672 5.011,673 5.182,674 5.247,675 5.215,676 5.329,677 0.625,678 339.44,679 3.367,680 4.934,681 5.82,682 6.732,683 7.64,684 8.56,685 9.478,686 10.403,687 11.326,688 12.254,689 10.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 46,733 16,734 1,735 28,737 49,738 18,739 11,740 3,741 3,746 4,747 5,752 1,755 4,756 1,758 4,761 11,762 7,763 1,777 1,778 1,781 21,782 6,783 3,784 7,790 5,794 0.75,795 2,803 1,806 1,811 2,812 2,815 1,840 3,844 2,848 25,849 1,853 1,854 3,856 1,858 2,870 4.3,872 1,875 1,877 12.833,878 8.75,879 5.444,880 2.789,881 3.077,882 1.412,883 0.97,884 4.098,885 10.548,886 3.611,887 4.273,888 4.948,889 5.615,890 6.195,891 6.633,892 7.107,893 7.575,894 7.877,895 8.161,896 1,897 42,898 9.233,900 4.007,901 7.713,902 17.728,904 15.02,905 2.213,906 55.333,909 1,910 211.88,911 82.161,912 84.908,914 53.683,917 82.161,918 265.563,919 84.908,920 19.708,921 7.604,922 61.326,923 106.404,924 35.154,925 2.328,926 200.109,928 211.88,929 167.069,930 53.683,933 164.795,934 100.768,937 31.296,938 85.539,939 50.234,941 211.88,942 138.591,943 82.161,946 211.88,947 25.406,948 58.532,950 136.814,951 211.88,952 138.591,953 82.161,955 0.59,956 0.361,957 0.202,958 0.108,959 22,960 10,961 0.061,962 3,963 1,964 1.1,965 3.579,966 223.064,967 0.1,968 20,969 116.096,974 16.308,975 6.283,976 2.754,977 1.475,978 136.814,979 6.68,980 13.382,984 2.321,985 1.98,986 75.581,987 432.632,988 36,999 46.232,1000 52.232,1001 0.288,1002 0.698,1003 0.875,1004 0.931,1005 0.931,1006 0.931,1007 4.875,1008 1.461,1009 5.832,1010 4.247,1011 4.419,1012 4.959,1013 0.908,1014 6.711,1015 4.333,1016 6.105,1017 1.083,1018 7.433,1019 3.649,1020 4.111,1021 4.902,1023 7.738,1024 3.989,1025 7.439,1026 0.923,1027 9.134,1028 2.956,1029 6.075,1030 7.254,1031 0.739,1032 10.887,1033 5.918,1034 8.814,1035 0.658,1036 10.893,1037 2.338,1038 6.594,1039 8.062,1041 12.764,1042 6.399,1043 10.224,1044 0.557,1045 12.691,1046 1.63,1047 8.043,1048 9.907,1049 0.593,1050 15.45,1051 7.817,1052 11.66,1053 -0.255,1054 14.515,1055 0.987,1056 8.929,1057 11.114,1059 17.68,1060 8.662,1061 13.117,1062 -0.306,1063 16.36,1064 -0.474,1065 10.193,1066 12.767,1067 0.469,1068 20.222,1069 9.894,1070 3.35,1071 -0.611,1072 18.221,1073 -0.684,1074 11.243,1075 14.16,1077 22.603,1078 10.905,1079 2.88,1080 12.15,1081 20.094,1082 -1.675,1083 12.445,1084 15.741,1085 0.366,1086 25.103,1087 12.073,1088 2.73,1089 9.406,1090 21.978,1091 4.733,1092 13.57,1093 17.219,1095 27.548,1096 13.159,1097 2.357,1098 8.644,1099 23.871,1100 3.897,1101 14.755,1102 18.774,1103 0.283,1104 30.038,1105 14.31,1106 2.227,1107 7.582,1108 25.771,1109 3.253,1110 15.915,1111 20.29,1113 32.511,1114 15.432,1115 1.665,1116 6.411,1117 27.678,1118 3.104,1119 17.101,1120 21.839,1121 0.217,1122 35.002,1123 16.581,1124 1.542,1125 4.851,1126 29.591,1127 2.542,1128 18.279,1129 23.373,1131 37.487,1132 17.721,1133 6213,1134 9984,1135 18.611,1136 30.029,1137 43.004,1138 43.21,1139 45.018,1140 42.906,1141 42.861,1142 55.368,1143 1.72,1144 129.704,1145 40.896,1146 5.666,1147 5.395,1148 6.592,1149 5.388,1150 5.35,1151 7.733,1152 1.72,1153 19.704,1154 5.228,1155 12.636,1156 1.536,1157 1.543,1158 1.608,1159 1.532,1160 1.531,1161 1.977,1162 0.061,1163 4.632,1164 1.461,1165 4.147,1166 4.194,1167 4.125,1168 4.007,1169 6.47,1170 4.029,1171 3.877,1172 3.911,1173 3.814,1174 3.783,1175 5.254,1176 3.781,1177 3.802,1178 3.842,1179 3.701,1180 3.676,1181 4.877,1182 3.682,1183 3.335,1184 3.419,1185 3.259,1186 3.073,1187 4.749,1188 3.105,1189 3.24,1190 3.311,1191 3.08,1192 3.003,1193 4.518,1194 3.004,1195 3.09,1196 3.187,1197 2.897,1198 2.858,1199 4.317,1200 2.855,1201 2.999,1202 3.103,1203 2.827,1204 2.746,1205 4.195,1206 2.754,1207 2.931,1208 2.973,1209 2.803,1210 2.738,1211 3.714,1212 2.741,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.764,1219 0.169,1220 3.395,1221 0.031,1222 7.051,1223 0.434,1224 4.313,1225 0.115,1226 3.35,1227 4.733,1228 0.86,1229 12.15,1230 3.228,1231 1.924,1232 1.907,1233 1.99,1234 2.035,1235 1.28,1236 2.016,1237 1.788,1238 1.745,1239 1.934,1240 1.976,1241 1.239,1242 1.954,1243 1.672,1244 1.612,1245 1.887,1246 1.832,1247 1.116,1248 1.867,1249 1.586,1250 1.529,1251 1.752,1252 1.783,1253 0.842,1254 1.779,1255 1.228,1256 1.169,1257 1.569,1258 1.522,1259 0.574,1260 1.535,1261 1.085,1262 1,1263 1.387,1264 1.379,1265 0.517,1266 1.371,1267 0.932,1268 0.841,1269 1.228,1270 1.218,1271 0.258,1272 1.251,1273 0.883,1274 0.83,1275 1.149,1276 1.193,1277 0.143,1278 1.186,1279 4.043,1281 5.398,1282 3.045,1283 6.948,1284 5.416,1285 8.589,1286 7.545,1287 10.281,1289 3.781,1293 6.136,1294 10.125,1295 3.342,1297 5.12,1299 0.99,1305 28.751,1306 73.177,1307 177.271,1308 222.309,1309 236.574,1310 236.574,1311 236.574,1312 39.841,1313 7.471,1314 99.08,1315 99.08,1316 22,1317 12.759,1318 4.087,1319 3.17,1320 35.638,1321 78,1322 92,1323 0.228,1324 175.331,1325 291.92,1326 419.568,1327 15556,1329 17.552,1330 0.702,1331 0.572,1332 17.552,1333 14.307,1334 12.08,1335 0.431,1336 0.302,1337 8.306,1338 11.545,1339 8.084,1340 6.722,1341 12.08,1342 8.442,1343 11.11,1344 0.271,1345 0.164,1346 11.11,1347 6.709,1348 9.795,1349 0.169,1350 0.086,1351 9.795,1352 4.983,1353 8.552,1354 0.106,1355 0.046,1356 8.552,1357 3.689,1358 6.665,1359 0.065,1360 0.023,1361 6.665,1362 2.318,1363 0.342,1364 76.314,1365 0.232,1366 23.611,1367 0.673,1368 138,1369 385.778,1370 152.418,1371 373.351,1372 521.45,1373 350,1374 168,1375 400.869,1376 184.057,1377 405.107,1378 597.98,1379 380,1380 6.717}
{0 CHEMBL1242203,1 1.693,2 8.522,3 0.866,4 0.75,5 85.98,6 8.009,7 0.615,8 3.823,9 3.948,10 3.448,11 3.276,12 5.011,13 3.305,14 4.304,15 4.476,16 3.782,17 3.638,18 5.431,19 3.652,20 4.457,21 4.64,22 3.881,23 3.74,24 5.631,25 3.745,26 4.529,27 4.723,28 3.874,29 3.779,30 5.714,31 3.767,32 4.547,33 4.758,34 3.723,35 3.765,36 5.649,37 3.715,38 4.479,39 4.699,40 3.673,41 3.675,42 5.561,43 3.624,44 4.461,45 4.7,46 3.504,47 3.532,48 5.628,49 3.455,50 4.337,51 4.616,52 3.136,53 3.238,54 5.364,55 3.137,56 0.137,57 0.648,58 7.501,59 2.943,60 13.078,61 3.767,62 0.321,63 0.967,64 14.058,65 4.714,66 23.795,67 6.302,68 0.418,69 1.089,70 16.893,71 5.445,72 32.024,73 7.596,74 0.455,75 1.156,76 18.377,77 5.916,78 37.042,79 8.091,80 0.451,81 1.125,82 19.361,83 6,84 43.457,85 8.572,86 0.368,87 1.033,88 18.225,89 5.764,90 31.8,91 8.574,92 0.506,93 0.914,94 19.035,95 5.627,96 54.129,97 8.424,98 0.518,99 0.672,100 19.338,101 5.014,102 49.733,103 7.659,104 11,105 38,106 0.3,107 0.721,108 0.839,109 0.86,110 0.86,111 0.86,112 3.19,113 0.837,114 -3.14,115 -3.13,116 -3.01,119 38.5,124 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 6,177 1,178 1,180 2,183 3,185 1,186 1,187 5,190 2,192 2,195 3,198 2,199 6,201 3,202 4,204 2,207 1,209 1,212 5,215 2,217 4,222 2,223 1,224 3,227 1,229 2,234 1,236 1,240 3,241 2,242 2,244 2,249 2,252 1,253 1,255 1,267 1,275 699,276 15.801,277 15.801,278 15.801,279 15.801,280 15.801,281 13.917,282 16.799,283 9.057,284 16.308,285 12.759,286 12.759,287 12.759,288 12.759,289 12.759,290 9.828,291 17.078,292 4.17,293 13.505,294 3.593,295 1.218,296 0.552,297 0.43,298 0.43,299 0.43,300 3.881,304 1,305 1,306 432,307 2.345,309 43.085,310 44.297,311 119.937,314 85,318 1.195,319 24.986,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 51,331 196,332 4.764,333 3.399,334 7.051,335 4.312,336 3.35,337 4.733,338 0.86,339 12.147,340 3.225,341 4.24,342 3.118,343 6.272,344 3.83,345 2.873,346 3.897,347 0.4,348 9.362,349 2.745,350 3.895,351 2.846,352 6.051,353 3.635,354 2.682,355 3.252,357 8.615,358 2.551,359 3.7,360 2.452,361 5.732,362 3.303,363 2.351,364 3.104,366 7.546,367 2.23,368 3.256,369 2.121,370 5.096,371 2.928,372 1.995,373 2.39,375 5.747,376 1.859,377 3.008,378 1.931,379 4.502,380 2.472,381 1.544,382 2.245,384 4.255,385 1.428,386 2.847,387 1.537,388 4.246,389 2.409,390 1.462,391 1.978,393 3.653,394 1.377,395 2.615,396 1.404,397 4.146,398 2.176,399 1.235,400 1.659,402 3.475,403 1.159,404 2.42,405 1.143,406 3.655,407 1.964,408 1.038,409 1.395,411 2.516,412 0.958,413 1.768,414 0.927,415 2.981,416 1.459,417 0.576,418 0.666,420 1.016,421 0.504,422 1.433,423 0.486,424 2.945,425 1.243,426 0.307,427 0.338,428 0.752,429 0.286,430 1.046,431 0.22,432 2.618,433 0.951,438 1,439 0.199,440 2.597,441 0.647,442 -0.26,443 -0.31,445 -0.475,446 -0.232,447 0.966,448 -0.164,449 2.413,450 0.583,451 -0.321,452 -0.403,454 -0.723,455 -0.289,456 0.771,457 -0.44,458 2.262,459 0.342,460 -0.611,461 -0.801,463 -1.676,464 -0.578,465 10.567,466 0.459,467 0.572,468 0.025,469 31.75,470 1.38,471 15.5,472 0.674,473 16.25,474 0.707,475 15.887,476 0.691,477 24.833,478 0.637,479 22.776,480 0.99,481 6.359,482 0.276,483 4.827,484 0.21,485 0.117,487 0.416,493 1.003,494 1.336,495 0.751,496 1.043,497 1.04,498 0.87,499 1.056,500 1.058,501 0.811,502 0.881,503 0.709,504 0.804,505 0.912,506 1.177,507 0.808,508 0.973,509 0.8,510 0.877,511 0.999,512 1.014,513 0.972,514 1.001,515 0.961,516 0.985,517 1.026,518 1.101,519 1.141,520 1.074,521 1.162,522 1.116,523 0.747,524 1.231,525 0.975,526 1.18,527 0.908,528 1.124,529 0.739,530 1.01,531 1.091,532 1.195,533 0.898,534 1.211,535 1.052,536 0.741,537 1.023,538 0.908,539 1.265,540 0.953,541 4,542 0.033,543 3,544 2.042,545 1.709,546 0.768,547 0.505,548 0.376,549 0.216,550 0.071,551 5235,552 15016,553 2.141,554 41,556 11,558 1,559 4,564 1.664,565 2,566 3.052,567 1.908,569 1,571 1,573 66.018,574 1.693,575 4.067,576 4.734,577 4.856,578 4.856,579 4.856,580 2.475,581 4.263,582 4.492,583 3.16,584 799.435,585 7.774,586 8706.88,587 1,588 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.008,596 0.083,597 0.052,598 0.045,599 0.024,600 0.017,601 0.016,602 0.014,603 0.008,604 0.422,605 0.33,606 1,607 0.777,608 104.817,609 -0.129,610 -0.106,611 0.031,612 0.001,613 -0.171,614 0.045,615 -0.103,616 0.069,617 0.063,618 0.117,619 0.014,620 0.123,621 0.034,622 -0.091,623 0.089,624 0.021,625 0.091,626 0.064,627 -0.051,628 0.076,629 -0.067,630 -0.033,631 -0.027,632 -0.058,633 -0.156,634 -0.055,635 -0.224,636 -0.094,637 -0.152,638 -0.16,639 0.032,640 -0.212,641 -0.048,642 -0.188,643 -0.039,644 -0.139,645 0.187,646 -0.052,647 -0.105,648 -0.242,649 0.146,650 -0.237,651 0.077,652 0.055,653 0.082,654 0.035,655 -0.022,656 0.063,657 1.617,658 4.035,659 0.826,660 16.964,661 1.018,662 1.141,663 1.907,664 3.637,665 0.66,666 3.296,667 3.664,668 4.025,669 4.304,670 4.575,671 4.754,672 4.913,673 5.037,674 5.037,675 4.99,676 5.008,677 0.646,678 312.37,679 3.296,680 4.86,681 5.753,682 6.666,683 7.578,684 8.5,685 9.421,686 10.348,687 11.273,688 12.203,689 15.4,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 39,732 1,733 16,734 1,735 26,737 42,738 15,739 11,740 3,741 3,746 4,747 5,755 1,758 1,761 11,762 4,777 1,778 1,781 16,782 7,783 4,784 8,790 6,794 0.75,795 2,803 1,806 1,810 1,811 1,812 2,815 1,835 1,840 3,844 1,848 23,849 1,853 1,854 2,855 1,856 1,858 1,870 5.1,872 1,875 1,877 11.5,878 7.167,879 5.028,880 2.122,881 3.107,882 1.429,883 0.995,884 3.413,885 10.352,886 3.555,887 4.23,888 4.926,889 5.585,890 6.179,891 6.612,892 7.077,893 7.53,894 7.81,895 8.085,896 0.833,897 39,898 8.459,900 3.694,901 7.804,902 15.971,904 13.36,905 2.304,906 53,910 141.253,911 69.944,912 102.919,914 53.683,917 69.944,918 194.936,919 102.919,920 10.883,921 4.211,922 79.337,923 106.404,924 35.154,925 2.328,926 129.482,928 141.253,929 172.862,930 53.683,933 141.253,934 53.683,937 37.089,938 85.539,939 50.234,941 141.253,942 156.602,943 69.944,946 141.253,947 22.013,948 49.707,949 18.011,950 136.814,951 141.253,952 156.602,953 69.944,955 0.588,956 0.367,957 0.196,958 0.107,959 21,960 9,961 0.071,962 3,963 1,964 1.105,965 3.468,966 198.661,967 0.105,968 19,969 102.042,974 14.389,975 5.456,976 2.248,977 1.401,978 154.825,979 6.574,980 13.1,984 2.223,985 1.875,986 93.591,987 367.799,988 34,999 39.683,1000 44.485,1001 0.32,1002 0.77,1003 0.896,1004 0.919,1005 0.919,1006 0.919,1007 4.812,1008 1.235,1009 5.759,1010 3.653,1011 4.344,1012 4.916,1013 1.029,1014 6.645,1015 4.24,1016 6.045,1017 1.038,1018 7.363,1019 3.475,1020 4.007,1021 4.856,1023 7.689,1024 3.871,1025 7.388,1026 0.576,1027 9.071,1028 2.516,1029 6.023,1030 7.239,1031 0.763,1032 10.853,1033 5.838,1034 8.771,1035 0.307,1036 10.839,1037 1.016,1038 6.524,1039 8.046,1041 12.742,1042 6.304,1043 10.188,1045 12.645,1046 0.752,1047 8.002,1048 9.901,1049 0.597,1050 15.43,1051 7.743,1052 11.63,1053 -0.26,1054 14.477,1056 8.879,1057 11.109,1059 17.668,1060 8.584,1061 13.092,1062 -0.321,1063 16.328,1064 -0.475,1065 10.159,1066 12.765,1067 0.47,1068 20.21,1069 9.828,1070 3.35,1071 -0.611,1072 18.194,1073 -0.723,1074 11.207,1075 14.159,1077 22.595,1078 10.839,1079 2.873,1080 12.147,1081 20.072,1082 -1.676,1083 12.417,1084 15.74,1085 0.367,1086 25.095,1087 12.014,1088 2.682,1089 9.362,1090 21.959,1091 4.733,1092 13.543,1093 17.218,1095 27.541,1096 13.103,1097 2.351,1098 8.615,1099 23.855,1100 3.897,1101 14.733,1102 18.774,1103 0.283,1104 30.032,1105 14.258,1106 1.995,1107 7.546,1108 25.758,1109 3.252,1110 15.895,1111 20.29,1113 32.506,1114 15.384,1115 1.544,1116 5.747,1117 27.667,1118 3.104,1119 17.084,1120 21.839,1121 0.217,1122 34.996,1123 16.537,1124 1.462,1125 4.255,1126 29.581,1127 2.39,1128 18.264,1129 23.374,1131 37.482,1132 17.68,1133 5013,1134 8592,1135 17.512,1136 25.75,1137 39.121,1138 39.384,1139 41.049,1140 38.838,1141 38.823,1142 51.317,1143 2.52,1144 118.169,1145 36.645,1146 5.764,1147 5.399,1148 6.669,1149 5.385,1150 5.35,1151 7.733,1152 1.72,1153 19.677,1154 5.225,1155 10.231,1156 1.505,1157 1.515,1158 1.579,1159 1.494,1160 1.493,1161 1.974,1162 0.097,1163 4.545,1164 1.409,1165 4.145,1166 4.194,1167 4.125,1168 3.999,1169 6.47,1170 4.023,1171 3.862,1172 3.888,1173 3.812,1174 3.744,1175 5.255,1176 3.758,1177 3.733,1178 3.799,1179 3.632,1180 3.553,1181 4.881,1182 3.563,1183 3.301,1184 3.37,1185 3.221,1186 3.042,1187 4.749,1188 3.075,1189 3.176,1190 3.267,1191 3.026,1192 2.874,1193 4.528,1194 2.895,1195 3,1196 3.103,1197 2.878,1198 2.746,1199 4.37,1200 2.752,1201 2.931,1202 2.971,1203 2.804,1204 2.702,1205 4.204,1206 2.736,1207 2.717,1208 2.789,1209 2.561,1210 2.529,1211 3.693,1212 2.53,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.764,1219 0.182,1220 3.399,1221 0.033,1222 7.051,1223 0.467,1224 4.312,1225 0.124,1226 3.35,1227 4.733,1228 0.86,1229 12.147,1230 3.225,1231 1.925,1232 1.907,1233 2.007,1234 2.078,1235 1.327,1236 2.058,1237 1.845,1238 1.789,1239 1.986,1240 2.014,1241 1.117,1242 2.005,1243 1.687,1244 1.638,1245 1.782,1246 1.881,1247 0.846,1248 1.859,1249 1.241,1250 1.183,1251 1.569,1252 1.543,1253 0.574,1254 1.542,1255 1.099,1256 1.012,1257 1.254,1258 1.427,1259 0.325,1260 1.391,1261 0.883,1262 0.839,1263 1.149,1264 1.211,1265 0.273,1266 1.192,1267 0.87,1268 0.787,1269 1.108,1270 1.138,1271 0.144,1272 1.13,1273 0.774,1274 0.668,1275 1.079,1276 1.072,1277 0.057,1278 1.068,1279 3.97,1281 5.361,1282 2.398,1283 6.938,1284 4.844,1285 8.6,1286 7.081,1287 10.305,1289 1.508,1293 6.054,1294 10.035,1295 1.683,1296 3.22,1297 5.084,1299 0.243,1305 25.192,1306 66.018,1307 158.621,1308 184.621,1309 189.376,1310 189.376,1311 189.376,1312 33.038,1313 7.245,1314 111.11,1315 111.11,1316 21,1317 12.706,1318 4.087,1319 3.17,1320 31.611,1321 67,1322 80,1323 0.234,1324 153.348,1325 251.02,1326 365.93,1327 11601,1329 15.974,1330 0.695,1331 0.544,1332 15.974,1333 12.523,1334 11.186,1335 0.43,1336 0.279,1337 7.096,1338 10.58,1339 6.966,1340 5.746,1341 11.186,1342 7.255,1343 10.123,1344 0.266,1345 0.143,1346 10.123,1347 5.449,1348 9.21,1349 0.167,1350 0.074,1351 9.21,1352 4.076,1353 7.576,1354 0.104,1355 0.035,1356 7.576,1357 2.591,1358 6.113,1359 0.064,1360 0.018,1361 6.113,1362 1.747,1363 0.351,1364 71.451,1365 0.239,1366 21.952,1367 0.697,1368 128,1369 390.111,1370 143.806,1371 375.092,1372 522.19,1373 352,1374 157,1375 398.996,1376 174.777,1377 401.893,1378 594.26,1379 377,1380 5.654}
{0 CHEMBL1242204,1 1.581,2 10.13,3 3.054,4 9.328,5 88.741,6 8.426,7 0.846,8 3.733,9 3.847,10 3.412,11 3.303,12 4.967,13 3.316,14 4.168,15 4.299,16 3.757,17 3.66,18 5.383,19 3.66,20 4.354,21 4.521,22 3.757,23 3.701,24 5.496,25 3.686,26 4.328,27 4.516,28 3.662,29 3.628,30 5.504,31 3.596,32 4.278,33 4.495,34 3.472,35 3.587,36 5.345,37 3.522,38 4.208,39 4.428,40 3.341,41 3.492,42 5.276,43 3.404,44 4.085,45 4.34,46 3.068,47 3.254,48 5.038,49 3.145,50 3.742,51 3.978,52 2.92,53 2.943,54 4.781,55 2.868,56 0.079,57 0.577,58 5.692,59 2.718,60 8.777,61 3.076,62 0.145,63 0.873,64 9.492,65 4.487,66 14.65,67 5.227,68 0.221,69 0.98,70 13.783,71 5.608,72 21.023,73 6.56,74 0.308,75 0.981,76 13.96,77 5.405,78 28.524,79 6.528,80 0.223,81 0.922,82 13.89,83 5.043,84 23.201,85 6.4,86 0.202,87 0.831,88 13.116,89 5.125,90 22.511,91 6.771,92 0.205,93 0.684,94 13.325,95 4.902,96 21.819,97 6.728,98 0.236,99 0.468,100 9.553,101 3.53,102 19.246,103 4.888,104 2,105 36,106 0.28,107 0.569,108 0.683,109 0.784,110 0.827,111 0.827,112 3.188,113 0.818,114 -4.91,115 -4.82,116 -4.52,119 47.2,142 9,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 8,174 1,175 8,177 1,178 2,180 2,183 9,185 1,186 1,187 6,192 1,195 6,198 1,199 6,201 2,202 3,203 1,204 3,206 1,207 6,209 1,212 4,217 4,220 8,222 2,223 1,224 5,229 2,232 8,234 2,240 1,245 4,249 2,250 2,252 1,253 1,258 3,263 2,268 2,271 2,275 675,276 15.999,277 15.999,278 15.999,279 15.999,280 15.999,281 13.386,282 9.632,283 9.556,284 16.343,285 12.865,286 12.865,287 12.865,288 12.865,289 12.865,290 9.072,291 10.64,292 4.557,293 13.434,294 3.589,295 1.958,296 1.313,297 0.743,298 0.5,299 0.5,300 3.892,303 1,304 1,305 1,306 521,307 2.121,310 48.036,311 202.927,314 91.142,318 1.69,319 16.059,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 49.5,331 233,332 4.666,333 3.248,334 6.884,335 4.201,336 3.229,337 4.626,338 0.86,339 11.489,340 3.139,341 4.085,342 3.058,343 5.858,344 3.657,345 2.711,346 3.693,348 8.091,349 2.573,350 3.883,351 2.565,352 5.56,353 3.453,354 2.491,355 3.431,357 7.57,358 2.385,359 3.561,360 2.276,361 5.044,362 3.12,363 2.155,364 2.963,366 6.072,367 2.07,368 3.419,369 2.059,370 5.03,371 2.915,372 1.989,373 2.806,375 5.676,376 1.839,377 3.017,378 1.599,379 4.42,380 2.49,381 1.544,382 2.256,384 4.082,385 1.456,386 2.853,387 1.465,388 3.814,389 2.366,390 1.396,391 2.009,393 3.035,394 1.348,395 2.552,396 1.08,397 3.586,398 2.007,399 1.064,400 1.578,402 2.681,403 1.001,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.312,416 2,417 1,418 1.5,420 2.136,421 1,422 2.187,423 0.797,424 3.247,425 1.699,426 0.745,427 1.054,428 1.811,429 0.709,430 1.38,431 0.367,432 2.847,433 1.01,434 0.088,435 0.109,436 0.226,437 0.08,438 1.045,439 -0.174,440 2.406,441 0.6,442 -0.315,443 -0.404,445 -0.725,446 -0.287,447 0.869,448 -0.355,449 2.359,450 0.431,451 -0.523,452 -0.699,454 -1.223,455 -0.496,456 0.573,457 -0.805,458 2,459 0.069,460 -0.884,461 -1.229,463 -2.3,464 -0.835,465 10.833,466 0.471,467 0.448,468 0.019,469 36.25,470 1.576,471 21,472 0.913,473 15.25,474 0.663,475 12.684,476 0.551,477 22.767,478 0.632,479 23.815,480 1.035,481 7.342,482 0.319,483 3.967,484 0.172,485 0.037,487 0.323,493 0.929,494 1.019,495 0.695,496 0.854,497 1.08,498 0.751,499 0.883,500 1.023,501 0.787,502 1.029,503 0.74,504 0.921,505 1.363,506 1.146,507 0.963,508 1.061,509 1.027,510 0.984,511 1.143,512 0.954,513 1.04,514 1.02,515 0.981,516 1.032,517 1.074,518 0.946,519 1.146,520 0.949,521 1.058,522 1.024,523 0.761,524 1.013,525 1.107,526 1.13,527 0.99,528 1.163,529 0.763,530 0.872,531 0.996,532 1.046,533 1.032,534 1.058,535 0.553,536 0.751,537 0.723,538 0.854,539 0.42,540 0.847,541 3.5,542 0.069,543 2.222,544 1.375,545 1.197,546 0.389,547 0.284,548 0.291,549 0.099,550 0.119,551 6325,552 17605,553 2.196,554 36.1,556 9,558 1,559 3,564 1.652,565 2.123,566 3.292,567 1.032,568 1,569 1,571 1,573 56.915,574 1.581,575 3.211,576 3.856,577 4.427,578 4.67,579 4.67,580 2.699,581 4.056,582 4.495,583 3.454,584 873.772,585 7.713,586 9965.39,587 1,588 1,589 1,590 1,591 186.117,592 1.121,593 4.483,594 0.135,595 0.005,596 0.062,597 0.039,598 0.039,599 0.015,600 0.013,601 0.018,602 0.007,603 0.008,604 0.34,605 0.33,606 1,607 0.393,608 108.138,609 -0.057,610 0.07,611 0.033,612 0.053,613 -0.221,614 0.062,615 0.07,616 0.022,617 0.002,618 -0.102,619 0.061,620 -0.071,621 -0.141,622 -0.18,623 -0.039,624 -0.097,625 -0.057,626 -0.066,627 0.026,628 0.044,629 -0.088,630 -0.075,631 0.089,632 -0.112,633 -0.227,634 0.05,635 -0.183,636 0.011,637 -0.168,638 -0.054,639 0.02,640 -0.071,641 -0.123,642 -0.133,643 -0.066,644 -0.145,645 0.124,646 -0.006,647 0.108,648 0.003,649 -0.052,650 0.049,651 0.584,652 0.091,653 0.399,654 0.211,655 0.547,656 0.256,657 1.261,658 2.284,659 0.913,660 19.437,661 1.01,662 1.121,663 3.68,664 13.544,665 0.709,666 3.296,667 3.611,668 3.912,669 4.205,670 4.407,671 4.419,672 4.543,673 4.71,674 4.736,675 4.779,676 5.977,677 0.692,678 303.35,679 3.296,680 4.828,681 5.687,682 6.567,683 7.441,684 8.328,685 9.21,686 10.101,687 10.988,688 11.882,689 13.9,693 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,722 1,729 1,731 36,733 22,734 2,735 26,737 39,738 17,739 17,740 3,741 9,746 4,747 5,761 17,777 1,778 1,781 13,782 5,783 3,784 6,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,840 3,848 23,849 1,856 1,870 2.8,875 1,877 10.833,878 6.433,879 5.028,880 1.979,881 4.15,882 1.566,883 1.057,884 3.407,885 11.483,886 3.638,887 4.294,888 4.948,889 5.596,890 6.142,891 6.424,892 6.881,893 7.376,894 7.661,895 8.016,896 0.857,897 35,898 8.4,900 3.578,901 7.703,902 15.892,904 12.915,905 2.203,906 50.667,910 117.711,911 116.95,912 99.794,914 11,917 116.95,918 128.711,919 99.794,922 118.183,923 63.72,924 55.284,925 2.328,926 105.94,928 117.711,929 216.744,930 11,933 117.711,934 11,937 29.754,938 136.757,939 50.234,941 117.711,942 110.794,943 116.95,946 117.711,947 23.045,948 93.905,949 16.663,950 94.131,951 117.711,952 110.794,953 116.95,955 0.577,956 0.342,957 0.194,958 0.104,959 19,960 7,961 0.077,962 3,963 1,964 1.095,965 3.663,966 187.15,967 0.095,968 21,969 94.042,974 13.733,975 5.706,976 2.625,977 1.348,978 94.131,979 18.693,980 12.441,981 2.87,984 3.595,986 49.56,987 345.455,988 37,999 36.371,1000 40.362,1001 0.306,1002 0.621,1003 0.746,1004 0.856,1005 0.903,1006 0.903,1007 4.84,1008 1.064,1009 5.652,1010 3.035,1011 4.29,1012 4.98,1013 0.908,1014 6.46,1015 4.207,1016 6.057,1017 1,1018 7.2,1019 2.681,1020 3.761,1021 4.691,1023 7.361,1024 3.63,1025 7.364,1026 1,1027 8.852,1028 2.275,1029 5.866,1030 7.253,1031 0.739,1032 10.501,1033 5.708,1034 8.712,1035 0.745,1036 10.569,1037 2.136,1038 6.217,1039 7.871,1041 12.319,1042 6.019,1043 10.095,1044 0.088,1045 12.332,1046 1.811,1047 7.748,1048 9.836,1049 0.593,1050 14.973,1051 7.528,1052 11.505,1053 -0.315,1054 14.128,1055 0.226,1056 8.52,1057 10.909,1059 17.167,1060 8.267,1061 12.937,1062 -0.523,1063 15.949,1064 -0.725,1065 9.816,1066 12.617,1067 0.469,1068 19.672,1069 9.542,1070 3.229,1071 -0.884,1072 17.789,1073 -1.223,1074 10.794,1075 13.924,1077 22.016,1078 10.491,1079 2.711,1080 11.489,1081 19.646,1082 -2.3,1083 11.997,1084 15.521,1085 0.366,1086 24.475,1087 11.672,1088 2.491,1089 8.091,1090 21.514,1091 4.626,1092 13.073,1093 16.944,1095 26.878,1096 12.72,1097 2.155,1098 7.57,1099 23.394,1100 3.693,1101 14.244,1102 18.496,1103 0.283,1104 29.324,1105 13.868,1106 1.989,1107 6.072,1108 25.282,1109 3.431,1110 15.366,1111 19.975,1113 31.75,1114 14.964,1115 1.544,1116 5.676,1117 27.177,1118 2.963,1119 16.527,1120 21.51,1121 0.217,1122 34.192,1123 16.101,1124 1.396,1125 4.082,1126 29.078,1127 2.806,1128 17.672,1129 23.016,1131 36.627,1132 17.22,1133 5869,1134 9934,1135 18.087,1136 25.529,1137 39.14,1138 39.07,1139 39.573,1140 38.852,1141 38.822,1142 55.05,1143 1.72,1144 110.284,1145 37.197,1146 5.425,1147 5.248,1148 6.686,1149 5.274,1150 5.229,1151 7.626,1152 1.72,1153 18.662,1154 5.139,1155 5.928,1156 1.505,1157 1.503,1158 1.522,1159 1.494,1160 1.493,1161 2.117,1162 0.066,1163 4.242,1164 1.431,1165 4.11,1166 4.156,1167 4.089,1168 3.98,1169 5.28,1170 3.999,1171 3.909,1172 3.933,1173 3.853,1174 3.814,1175 4.951,1176 3.818,1177 3.782,1178 3.816,1179 3.716,1180 3.696,1181 4.889,1182 3.702,1183 3.296,1184 3.394,1185 3.236,1186 3.013,1187 4.664,1188 3.056,1189 3.046,1190 3.124,1191 2.969,1192 2.799,1193 4.498,1194 2.835,1195 2.929,1196 2.983,1197 2.823,1198 2.735,1199 4.142,1200 2.722,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.699,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.701,1211 3.674,1212 2.715,1213 0.179,1214 0.125,1215 0.265,1216 0.162,1217 0.124,1218 4.666,1219 0.178,1220 3.248,1221 0.033,1222 6.884,1223 0.442,1224 4.201,1225 0.121,1226 3.229,1227 4.626,1228 0.86,1229 11.489,1230 3.139,1231 1.94,1232 1.921,1233 2.029,1234 2.039,1235 1.129,1236 2.033,1237 1.857,1238 1.83,1239 1.97,1240 1.979,1241 1.035,1242 1.965,1243 1.747,1244 1.705,1245 1.816,1246 1.904,1247 0.858,1248 1.899,1249 1.256,1250 1.185,1251 1.364,1252 1.59,1253 0.3,1254 1.534,1255 0.949,1256 0.887,1257 1.181,1258 1.233,1259 0.218,1260 1.216,1261 0.886,1262 0.821,1263 1.181,1264 1.153,1265 0.218,1266 1.139,1267 0.886,1268 0.821,1269 1.157,1270 1.062,1271 0.141,1272 1.107,1273 0.832,1274 0.777,1275 1.092,1276 1.062,1277 0.039,1278 1.107,1279 3.97,1281 5.283,1282 2.398,1283 6.801,1284 4.727,1285 8.41,1286 6.862,1287 10.066,1293 5.935,1297 5.784,1305 24.929,1306 56.915,1307 115.614,1308 138.833,1309 159.362,1310 168.117,1311 168.117,1312 25.294,1313 7.333,1314 89.71,1315 89.71,1316 23,1317 12.41,1318 4.524,1319 3.585,1320 32.063,1321 83,1322 80,1323 0.191,1324 152.96,1325 247.01,1326 364.983,1327 15230,1329 15.648,1330 0.68,1331 0.526,1332 15.648,1333 12.101,1334 11.31,1335 0.435,1336 0.273,1337 6.99,1338 10.886,1339 6.877,1340 5.711,1341 11.31,1342 7.09,1343 10.007,1344 0.278,1345 0.139,1346 10.007,1347 4.994,1348 8.689,1349 0.177,1350 0.071,1351 8.689,1352 3.494,1353 7.555,1354 0.114,1355 0.036,1356 7.555,1357 2.397,1358 6.085,1359 0.075,1360 0.019,1361 6.085,1362 1.551,1363 0.302,1364 70.78,1365 0.235,1366 22.735,1367 0.52,1368 124,1369 364.316,1370 136.284,1371 359.265,1372 506.79,1373 338,1374 147,1375 394.499,1376 159.757,1377 398.321,1378 581.54,1379 376,1380 4.921}
{0 CHEMBL1242205,1 1.581,2 9.348,3 3.054,4 9.328,5 88.741,6 8.426,7 0.846,8 3.733,9 3.847,10 3.412,11 3.303,12 4.967,13 3.316,14 4.168,15 4.299,16 3.757,17 3.66,18 5.384,19 3.66,20 4.354,21 4.521,22 3.757,23 3.701,24 5.491,25 3.686,26 4.328,27 4.516,28 3.691,29 3.63,30 5.506,31 3.605,32 4.29,33 4.492,34 3.546,35 3.606,36 5.391,37 3.557,38 4.246,39 4.452,40 3.484,41 3.56,42 5.325,43 3.498,44 4.18,45 4.404,46 3.315,47 3.421,48 5.258,49 3.333,50 3.974,51 4.213,52 3.078,53 3.196,54 4.968,55 3.12,56 0.079,57 0.577,58 5.692,59 2.718,60 8.777,61 3.076,62 0.145,63 0.873,64 9.492,65 4.487,66 14.666,67 5.227,68 0.221,69 0.98,70 13.783,71 5.608,72 20.968,73 6.56,74 0.293,75 0.981,76 13.956,77 5.407,78 27.734,79 6.577,80 0.277,81 0.926,82 13.809,83 5.002,84 25.064,85 6.162,86 0.206,87 0.87,88 13.253,89 5.202,90 21.237,91 6.724,92 0.286,93 0.776,94 13.487,95 5.186,96 26.24,97 6.97,98 0.173,99 0.635,100 11.502,101 4.123,102 19.045,103 5.427,104 2,105 36,106 0.28,107 0.569,108 0.693,109 0.81,110 0.853,111 0.867,112 3.189,113 0.818,114 -4.91,115 -4.82,116 -4.52,119 47.2,142 9,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 8,174 1,175 8,177 1,178 2,180 2,183 9,185 1,186 1,187 6,192 1,195 6,198 1,199 5,201 2,202 3,203 1,204 3,206 1,207 5,209 1,211 1,212 6,217 3,220 9,222 2,224 2,227 1,229 2,232 8,234 1,236 2,237 4,239 1,240 1,242 1,245 6,247 1,250 2,255 2,258 3,263 5,268 4,271 1,273 2,275 696,276 15.999,277 15.999,278 15.999,279 15.999,280 15.999,281 13.386,282 9.632,283 9.596,284 16.343,285 12.882,286 12.882,287 12.882,288 12.882,289 12.882,290 9.078,291 10.64,292 4.584,293 13.448,294 3.589,295 1.958,296 1.258,297 0.597,298 0.354,299 0.278,300 3.892,303 1,304 1,305 1,306 479,307 2.121,310 44.027,311 192.77,314 84.327,318 1.463,319 16.345,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 49.5,331 215,332 4.668,333 3.256,334 6.886,335 4.204,336 3.232,337 4.627,338 0.86,339 11.499,340 3.142,341 4.108,342 3.057,343 5.902,344 3.679,345 2.731,346 3.723,348 8.322,349 2.595,350 3.873,351 2.571,352 5.531,353 3.439,354 2.477,355 3.425,357 7.422,358 2.373,359 3.509,360 2.229,361 5.044,362 3.068,363 2.11,364 2.89,366 6.007,367 2.014,368 3.415,369 2.053,370 5.024,371 2.911,372 1.984,373 2.801,375 5.675,376 1.836,377 3.006,378 1.608,379 4.37,380 2.496,381 1.543,382 2.232,384 3.974,385 1.465,386 2.847,387 1.45,388 3.811,389 2.354,390 1.386,391 2.002,393 3.037,394 1.335,395 2.675,396 1.221,397 3.588,398 2.173,399 1.196,400 1.757,402 2.741,403 1.166,404 2.5,405 1,406 3.474,407 2,408 1,409 1.5,411 2.459,412 1,413 2.5,414 1,415 3.305,416 1.96,417 1,418 1.5,420 2.136,421 0.958,422 2.159,423 0.753,424 3.247,425 1.663,426 0.708,427 1.011,428 1.756,429 0.674,430 1.293,431 0.3,432 2.799,433 0.918,438 1.047,439 -0.183,440 2.481,441 0.608,442 -0.31,443 -0.397,445 -0.715,446 -0.283,447 0.837,448 -0.454,449 2.363,450 0.388,451 -0.581,452 -0.797,454 -1.424,455 -0.562,456 0.69,457 -0.624,458 2,459 0.23,460 -0.736,461 -0.996,463 -1.884,464 -0.702,465 10.833,466 0.471,467 0.448,468 0.019,469 36.25,470 1.576,471 21,472 0.913,473 15.25,474 0.663,475 12.841,476 0.558,477 22.767,478 0.632,479 24.084,480 1.047,481 7.342,482 0.319,483 3.967,484 0.172,485 0.037,487 0.323,493 0.929,494 1.019,495 0.695,496 0.854,497 1.08,498 0.751,499 0.883,500 1.023,501 0.787,502 1.029,503 0.737,504 0.921,505 1.363,506 1.146,507 0.963,508 1.061,509 1.053,510 0.984,511 1.104,512 0.954,513 0.97,514 1.012,515 0.926,516 0.991,517 1.188,518 0.924,519 1.133,520 0.914,521 1.081,522 0.987,523 0.856,524 1.005,525 1.025,526 1.068,527 1.045,528 1.068,529 0.663,530 0.943,531 1.002,532 1.072,533 0.745,534 1.1,535 1.075,536 0.947,537 0.997,538 0.928,539 1.027,540 0.949,541 3.5,542 0.037,543 2,544 1.5,545 1.117,546 0.309,547 0.398,548 0.201,549 0.149,550 0.084,551 5941,552 16513,553 2.196,554 36.1,556 9,558 1,559 3,564 1.657,565 2.123,566 3.219,567 1.032,568 1,569 1,571 1,573 56.915,574 1.581,575 3.211,576 3.912,577 4.572,578 4.816,579 4.892,580 2.666,581 4.056,582 4.497,583 3.34,584 845.034,585 7.743,586 9461.58,587 1,588 1,589 1,590 1,591 186.117,592 1.121,593 4.483,594 0.135,595 0.003,596 0.056,597 0.043,598 0.035,599 0.011,600 0.015,601 0.01,602 0.009,603 0.006,604 0.322,605 0.33,606 1,607 0.393,608 106.894,609 -0.057,610 0.07,611 0.033,612 0.053,613 -0.221,614 0.062,615 0.07,616 0.022,617 0.002,618 -0.102,619 0.065,620 -0.071,621 -0.141,622 -0.18,623 -0.039,624 -0.097,625 -0.084,626 -0.066,627 0.067,628 0.044,629 -0.016,630 -0.067,631 0.145,632 -0.07,633 -0.169,634 0.077,635 -0.178,636 0.037,637 -0.141,638 -0.046,639 0.008,640 -0.049,641 -0.061,642 -0.082,643 -0.11,644 -0.077,645 0.291,646 -0.041,647 0.033,648 -0.051,649 0.212,650 -0.056,651 -0.111,652 -0.041,653 0.07,654 0.09,655 -0.069,656 0.107,657 1.27,658 2.359,659 0.913,660 17.361,661 1.01,662 1.121,663 3.68,664 13.544,665 0.709,666 3.296,667 3.611,668 3.912,669 4.22,670 4.419,671 4.443,672 4.575,673 4.718,674 4.745,675 4.787,676 5.557,677 0.692,678 303.35,679 3.296,680 4.828,681 5.687,682 6.569,683 7.445,684 8.335,685 9.219,686 10.113,687 11.001,688 11.899,689 13.9,693 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,722 1,729 1,731 36,733 22,734 2,735 26,737 39,738 17,739 17,740 3,741 9,746 4,747 5,761 17,777 1,778 1,781 13,782 5,783 3,784 6,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,840 3,848 23,849 1,856 1,870 2.8,875 1,877 10.833,878 6.433,879 5.028,880 1.979,881 4.218,882 1.575,883 1.057,884 3.407,885 11.551,886 3.638,887 4.294,888 4.948,889 5.604,890 6.147,891 6.435,892 6.897,893 7.379,894 7.661,895 8.026,896 1,897 35,898 8.402,900 3.581,901 7.703,902 15.892,904 12.915,905 2.203,906 50.667,910 117.711,911 116.95,912 99.794,914 11,917 116.95,918 128.711,919 99.794,922 118.183,923 63.72,924 55.284,925 2.328,926 105.94,928 117.711,929 216.744,930 11,933 117.711,934 11,937 29.754,938 136.757,939 50.234,941 117.711,942 110.794,943 116.95,946 117.711,947 23.045,948 93.905,949 16.663,950 94.131,951 117.711,952 110.794,953 116.95,955 0.575,956 0.34,957 0.197,958 0.105,959 19,960 7,961 0.077,962 3,963 1,964 1.095,965 3.613,966 189.833,967 0.095,968 21,969 100.042,974 13.733,975 5.706,976 2.625,977 1.325,978 94.131,979 18.687,980 12.481,981 2.875,984 3.482,986 49.56,987 345.455,988 37,999 36.371,1000 40.362,1001 0.306,1002 0.621,1003 0.757,1004 0.884,1005 0.931,1006 0.946,1007 4.84,1008 1.196,1009 5.652,1010 3.037,1011 4.29,1012 4.98,1013 0.908,1014 6.463,1015 4.207,1016 6.057,1017 1,1018 7.2,1019 2.741,1020 3.761,1021 4.691,1023 7.361,1024 3.63,1025 7.364,1026 1,1027 8.852,1028 2.459,1029 5.866,1030 7.253,1031 0.739,1032 10.512,1033 5.708,1034 8.712,1035 0.708,1036 10.571,1037 2.136,1038 6.217,1039 7.871,1041 12.327,1042 6.019,1043 10.095,1045 12.335,1046 1.756,1047 7.751,1048 9.838,1049 0.593,1050 14.988,1051 7.531,1052 11.506,1053 -0.31,1054 14.132,1056 8.525,1057 10.913,1059 17.18,1060 8.273,1061 12.939,1062 -0.581,1063 15.954,1064 -0.715,1065 9.824,1066 12.621,1067 0.469,1068 19.688,1069 9.549,1070 3.232,1071 -0.736,1072 17.796,1073 -1.424,1074 10.804,1075 13.931,1077 22.031,1078 10.501,1079 2.731,1080 11.499,1081 19.653,1082 -1.884,1083 12.009,1084 15.527,1085 0.366,1086 24.49,1087 11.684,1088 2.477,1089 8.322,1090 21.522,1091 4.627,1092 13.087,1093 16.952,1095 26.893,1096 12.735,1097 2.11,1098 7.422,1099 23.402,1100 3.723,1101 14.259,1102 18.503,1103 0.283,1104 29.339,1105 13.883,1106 1.984,1107 6.007,1108 25.291,1109 3.425,1110 15.383,1111 19.983,1113 31.765,1114 14.981,1115 1.543,1116 5.675,1117 27.186,1118 2.89,1119 16.546,1120 21.518,1121 0.217,1122 34.207,1123 16.119,1124 1.386,1125 3.974,1126 29.087,1127 2.801,1128 17.691,1129 23.023,1131 36.642,1132 17.239,1133 5541,1134 9380,1135 18.087,1136 25.529,1137 39.212,1138 39.039,1139 39.5,1140 38.826,1141 38.734,1142 54.935,1143 1.72,1144 110.056,1145 37.116,1146 5.432,1147 5.256,1148 6.688,1149 5.277,1150 5.232,1151 7.627,1152 1.72,1153 18.705,1154 5.142,1155 5.865,1156 1.508,1157 1.501,1158 1.519,1159 1.493,1160 1.49,1161 2.113,1162 0.066,1163 4.233,1164 1.428,1165 4.111,1166 4.157,1167 4.09,1168 3.98,1169 5.28,1170 4,1171 3.907,1172 3.932,1173 3.851,1174 3.812,1175 4.952,1176 3.816,1177 3.783,1178 3.817,1179 3.716,1180 3.697,1181 4.886,1182 3.703,1183 3.295,1184 3.394,1185 3.233,1186 3.01,1187 4.665,1188 3.052,1189 3.036,1190 3.12,1191 2.955,1192 2.823,1193 4.496,1194 2.842,1195 2.981,1196 3.02,1197 2.876,1198 2.755,1199 4.164,1200 2.783,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.749,1206 2.715,1207 2.797,1208 2.878,1209 2.65,1210 2.627,1211 3.674,1212 2.622,1213 0.18,1214 0.125,1215 0.265,1216 0.162,1217 0.124,1218 4.668,1219 0.178,1220 3.256,1221 0.033,1222 6.886,1223 0.442,1224 4.204,1225 0.121,1226 3.232,1227 4.627,1228 0.86,1229 11.499,1230 3.142,1231 1.94,1232 1.922,1233 2.029,1234 2.039,1235 1.13,1236 2.033,1237 1.856,1238 1.829,1239 1.97,1240 1.978,1241 1.034,1242 1.964,1243 1.748,1244 1.706,1245 1.818,1246 1.904,1247 0.859,1248 1.9,1249 1.259,1250 1.185,1251 1.373,1252 1.591,1253 0.319,1254 1.537,1255 0.947,1256 0.909,1257 1.181,1258 1.228,1259 0.218,1260 1.216,1261 0.923,1262 0.847,1263 1.172,1264 1.157,1265 0.196,1266 1.147,1267 0.886,1268 0.821,1269 1.15,1270 1.119,1271 0.105,1272 1.126,1273 0.796,1274 0.701,1275 1.087,1276 1.062,1277 0.046,1278 1.107,1279 3.97,1281 5.283,1282 2.398,1283 6.801,1284 4.727,1285 8.412,1286 6.862,1287 10.07,1293 5.958,1297 5.859,1305 24.929,1306 56.915,1307 115.614,1308 140.833,1309 164.608,1310 173.362,1311 176.117,1312 25.512,1313 7.333,1314 89.71,1315 89.71,1316 23,1317 12.425,1318 4.524,1319 3.585,1320 31.855,1321 76,1322 77,1323 0.205,1324 152.96,1325 247.01,1326 364.983,1327 15230,1329 15.648,1330 0.68,1331 0.526,1332 15.648,1333 12.101,1334 11.31,1335 0.435,1336 0.273,1337 6.99,1338 10.886,1339 6.876,1340 5.713,1341 11.31,1342 7.09,1343 10.019,1344 0.278,1345 0.139,1346 10.019,1347 4.998,1348 8.621,1349 0.176,1350 0.071,1351 8.621,1352 3.473,1353 7.639,1354 0.114,1355 0.036,1356 7.639,1357 2.423,1358 6.105,1359 0.074,1360 0.019,1361 6.105,1362 1.555,1363 0.318,1364 70.78,1365 0.235,1366 22.442,1367 0.575,1368 124,1369 364.316,1370 136.284,1371 359.33,1372 506.81,1373 338,1374 147,1375 394.499,1376 159.757,1377 398.457,1378 581.82,1379 376,1380 4}
{0 CHEMBL1242206,1 1.54,2 11,3 3.267,4 10.673,5 98.473,6 7.891,7 0.786,8 3.863,9 3.982,10 3.491,11 3.417,12 5.035,13 3.415,14 4.338,15 4.498,16 3.832,17 3.78,18 5.469,19 3.766,20 4.501,21 4.676,22 3.865,23 3.865,24 5.599,25 3.83,26 4.567,27 4.775,28 3.774,29 3.82,30 5.646,31 3.76,32 4.505,33 4.734,34 3.627,35 3.76,36 5.506,37 3.682,38 4.438,39 4.664,40 3.508,41 3.701,42 5.492,43 3.607,44 4.383,45 4.644,46 3.279,47 3.565,48 5.284,49 3.428,50 4.139,51 4.406,52 3.08,53 3.275,54 5.053,55 3.145,56 0.053,57 0.658,58 7.652,59 3.411,60 8.689,61 4.27,62 0.193,63 1.016,64 14.067,65 5.543,66 17.706,67 7.016,68 0.154,69 1.155,70 17.065,71 6.673,72 20.671,73 8.633,74 0.323,75 1.204,76 19.848,77 7.168,78 32.54,79 9.41,80 0.213,81 1.108,82 19.253,83 6.786,84 24.69,85 9.283,86 0.251,87 1.039,88 17.711,89 6.247,90 31.746,91 8.563,92 0.196,93 0.905,94 18.229,95 6.895,96 24.822,97 9.781,98 0.254,99 0.676,100 14.85,101 5.485,102 24.569,103 7.886,104 5,105 39,106 0.265,107 0.611,108 0.732,109 0.816,110 0.827,111 0.827,112 3.267,113 0.849,114 -5.11,115 -5.01,116 -4.69,119 45.2,124 1,125 1,142 9,143 3,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 10,174 2,175 8,177 1,178 1,180 1,183 11,185 1,186 1,187 7,195 7,198 2,199 9,201 3,202 3,204 1,207 4,209 1,212 7,217 2,220 6,222 2,223 1,224 5,229 2,232 9,234 2,236 1,245 8,249 2,250 1,252 1,253 1,258 5,263 3,271 3,275 876,276 17.206,277 17.206,278 17.206,279 17.206,280 17.206,281 14.548,282 13.869,283 10.222,284 17.562,285 13.832,286 13.832,287 13.832,288 13.832,289 13.832,290 9.927,291 14.312,292 4.867,293 14.418,294 3.853,295 1.842,296 1.144,297 0.655,298 0.589,299 0.589,300 3.968,303 1,304 1,305 1,306 609,307 2.449,310 54.279,311 229.309,314 102.666,318 1.84,319 16.58,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 275,332 4.735,333 3.325,334 6.984,335 4.266,336 3.3,337 4.716,338 1.151,339 11.864,340 3.189,341 4.063,342 2.991,343 5.958,344 3.639,345 2.675,346 3.677,348 8.304,349 2.579,350 3.895,351 2.658,352 5.52,353 3.502,354 2.515,355 3.443,357 7.158,358 2.484,359 3.653,360 2.43,361 5.404,362 3.216,363 2.271,364 3.091,366 6.822,367 2.137,368 3.617,369 2.373,370 5.234,371 3.191,372 2.253,373 3,375 6.603,376 2.105,377 3.019,378 1.684,379 4.462,380 2.517,381 1.562,382 2.256,384 4.186,385 1.497,386 2.91,387 1.534,388 4.327,389 2.439,390 1.471,391 2.08,393 3.66,394 1.411,395 2.712,396 1.407,397 3.656,398 2.244,399 1.299,400 1.799,402 3.145,403 1.224,404 2.5,405 1.143,406 3.613,407 2,408 1.04,409 1.5,411 2.52,412 1,413 2.5,414 1,415 3.414,416 2,417 1,418 1.5,420 2.275,421 1,422 2.462,423 1,424 3.247,425 1.966,426 1,427 1.447,428 2.136,429 0.96,430 1.852,431 0.93,432 3.115,433 1.53,434 0.626,435 0.745,436 1.479,437 0.559,438 1.103,439 0.026,440 2.612,441 0.723,442 -0.219,443 -0.273,445 -0.521,446 -0.203,447 1.051,448 -0.091,449 2.437,450 0.647,451 -0.286,452 -0.362,454 -0.686,455 -0.268,456 0.758,457 -0.469,458 2.277,459 0.289,460 -0.628,461 -0.806,463 -1.506,464 -0.573,465 11.833,466 0.473,467 0.538,468 0.022,469 37.5,470 1.5,471 21,472 0.84,473 16.5,474 0.66,475 15.558,476 0.622,477 25.367,478 0.604,479 26.032,480 1.041,481 7.613,482 0.305,483 4.608,484 0.184,485 0.076,487 0.33,493 0.881,494 1.164,495 0.732,496 0.98,497 1.056,498 0.857,499 1.116,500 0.945,501 0.822,502 0.868,503 0.818,504 0.818,505 1.162,506 1.227,507 0.964,508 1.128,509 0.966,510 1.042,511 1.194,512 0.987,513 1.08,514 1.064,515 1.054,516 1.069,517 1.123,518 1.022,519 1.044,520 0.985,521 0.891,522 0.996,523 1.049,524 0.958,525 1.187,526 1.037,527 1.329,528 1.106,529 0.648,530 0.9,531 0.972,532 1.074,533 0.966,534 1.073,535 0.47,536 0.773,537 0.801,538 0.957,539 0.475,540 0.943,541 4,542 0.131,543 2.667,544 1.667,545 1.477,546 0.729,547 0.226,548 0.319,549 0.175,550 0.08,551 7967,552 20739,553 2.154,554 40.5,556 14,558 1,559 2,564 1.675,565 2.055,566 3.376,567 0.273,568 1,569 1,573 64.67,574 1.54,575 3.55,576 4.249,577 4.737,578 4.803,579 4.803,580 2.859,581 4.134,582 4.613,583 3.577,584 1073.24,585 7.951,586 13221.8,587 1,588 1,590 1,591 226.477,592 1.26,593 4.592,594 0.143,595 0.008,596 0.068,597 0.043,598 0.043,599 0.024,600 0.009,601 0.016,602 0.011,603 0.005,604 0.371,605 0.17,606 1,607 0.477,608 121.745,609 0.007,610 -0.044,611 0.057,612 -0.023,613 -0.173,614 0.017,615 0.003,616 0.128,617 0.057,618 0.084,619 0.049,620 0.076,621 -0.074,622 -0.203,623 -0.058,624 -0.164,625 -0.024,626 -0.12,627 0.022,628 0.017,629 -0.107,630 -0.113,631 0.03,632 -0.136,633 -0.152,634 -0.045,635 -0.064,636 -0.013,637 0.018,638 -0.02,639 -0.117,640 0.039,641 -0.222,642 -0.074,643 -0.211,644 -0.142,645 0.127,646 -0.027,647 0.053,648 -0.04,649 -0.075,650 -0.008,651 0.483,652 0.064,653 0.269,654 0.087,655 0.4,656 0.138,657 1.238,658 2.324,659 0.84,660 23.805,661 1.003,662 1.124,663 3.882,664 15.071,665 0.692,666 3.367,667 3.689,668 3.989,669 4.277,670 4.511,671 4.522,672 4.615,673 4.754,674 4.82,675 4.804,676 6.512,677 0.666,678 331.41,679 3.367,680 4.905,681 5.765,682 6.648,683 7.528,684 8.419,685 9.308,686 10.205,687 11.101,688 12.002,689 11.9,693 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,722 1,729 1,731 42,733 22,734 2,735 28,737 45,738 19,739 17,740 3,741 9,746 4,747 5,761 17,762 2,777 1,778 1,781 17,782 5,783 2,784 6,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,840 3,844 1,848 25,849 1,854 1,856 1,870 2.4,875 1,877 12.167,878 7.883,879 5.472,880 2.323,881 4.103,882 1.549,883 1.029,884 4.081,885 11.579,886 3.689,887 4.347,888 5.001,889 5.642,890 6.204,891 6.48,892 6.911,893 7.366,894 7.669,895 7.941,896 1,897 39,898 9.16,900 3.86,901 7.647,902 17.491,904 14.171,905 2.147,906 53.667,909 1,910 176.567,911 127.881,912 84.908,914 11,917 127.881,918 187.566,919 84.908,920 8.396,921 4.592,922 118.183,923 63.72,924 38.339,925 2.328,926 164.795,928 176.567,929 212.789,930 11,933 176.567,934 11,937 19.46,938 143.095,939 50.234,941 176.567,942 95.908,943 127.881,946 176.567,947 25.58,948 104.078,950 94.131,951 176.567,952 95.908,953 127.881,955 0.58,956 0.344,957 0.191,958 0.107,959 20,960 8,961 0.089,962 4,963 1,964 1.095,965 3.823,966 208.377,967 0.095,968 21,969 108.096,974 15.609,975 6.536,976 3.064,977 1.481,978 94.131,979 19.31,980 12.866,984 4.075,985 1.711,986 32.897,987 400.355,988 39,999 42.138,1000 47.192,1001 0.286,1002 0.658,1003 0.788,1004 0.879,1005 0.891,1006 0.891,1007 4.902,1008 1.299,1009 5.74,1010 3.66,1011 4.369,1012 5.034,1013 1.294,1014 6.558,1015 4.29,1016 6.123,1017 1.04,1018 7.298,1019 3.145,1020 3.892,1021 4.808,1023 7.489,1024 3.779,1025 7.436,1026 1,1027 8.961,1028 2.52,1029 5.958,1030 7.315,1031 1.506,1032 10.634,1033 5.811,1034 8.791,1035 1,1036 10.689,1037 2.275,1038 6.347,1039 7.986,1041 12.482,1042 6.166,1043 10.181,1044 0.626,1045 12.462,1046 2.136,1047 7.861,1048 9.924,1049 1.731,1050 15.157,1051 7.65,1052 11.599,1053 -0.219,1054 14.267,1055 1.479,1056 8.665,1057 11.043,1059 17.386,1060 8.42,1061 13.04,1062 -0.286,1063 16.097,1064 -0.521,1065 9.958,1066 12.742,1067 1.968,1068 19.919,1069 9.686,1070 3.3,1071 -0.628,1072 17.947,1073 -0.686,1074 10.966,1075 14.087,1077 22.3,1078 10.657,1079 2.675,1080 11.864,1081 19.813,1082 -1.506,1083 12.178,1084 15.688,1085 2.214,1086 24.79,1087 11.84,1088 2.515,1089 8.304,1090 21.692,1091 4.716,1092 13.281,1093 17.143,1095 27.228,1096 12.907,1097 2.271,1098 7.158,1099 23.582,1100 3.677,1101 14.468,1102 18.708,1103 2.468,1104 29.705,1105 14.063,1106 2.253,1107 6.822,1108 25.482,1109 3.443,1110 15.616,1111 20.214,1113 32.165,1114 15.176,1115 1.562,1116 6.603,1117 27.389,1118 3.091,1119 16.799,1120 21.766,1121 2.727,1122 34.639,1123 16.326,1124 1.471,1125 4.186,1126 29.302,1127 3,1128 17.969,1129 23.295,1131 37.108,1132 17.461,1133 7445,1134 12158,1135 19.186,1136 29.051,1137 42.407,1138 42.205,1139 43.01,1140 42.048,1141 42.024,1142 58.507,1143 2.302,1144 120.303,1145 40.293,1146 5.557,1147 5.325,1148 6.786,1149 5.339,1150 5.3,1151 7.716,1152 2.302,1153 19.167,1154 5.189,1155 8.9,1156 1.515,1157 1.507,1158 1.536,1159 1.502,1160 1.501,1161 2.09,1162 0.082,1163 4.297,1164 1.439,1165 4.124,1166 4.17,1167 4.105,1168 3.989,1169 5.259,1170 4.01,1171 3.918,1172 3.947,1173 3.85,1174 3.844,1175 4.911,1176 3.84,1177 3.814,1178 3.845,1179 3.754,1180 3.718,1181 4.829,1182 3.728,1183 3.39,1184 3.488,1185 3.306,1186 3.1,1187 4.709,1188 3.137,1189 3.235,1190 3.278,1191 3.119,1192 3.046,1193 4.503,1194 3.053,1195 3.028,1196 3.108,1197 2.92,1198 2.872,1199 4.233,1200 2.873,1201 2.914,1202 3.037,1203 2.72,1204 2.735,1205 3.757,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.169,1214 0.119,1215 0.249,1216 0.152,1217 0.118,1218 4.735,1219 0.168,1220 3.325,1221 0.041,1222 6.984,1223 0.424,1224 4.266,1225 0.114,1226 3.3,1227 4.716,1228 1.151,1229 11.864,1230 3.189,1231 1.939,1232 1.918,1233 2.044,1234 2.039,1235 1.15,1236 2.035,1237 1.893,1238 1.865,1239 1.996,1240 1.996,1241 1.109,1242 1.991,1243 1.767,1244 1.723,1245 1.846,1246 1.941,1247 0.912,1248 1.93,1249 1.415,1250 1.335,1251 1.638,1252 1.705,1253 0.673,1254 1.684,1255 1.187,1256 1.135,1257 1.448,1258 1.419,1259 0.601,1260 1.427,1261 1,1262 0.938,1263 1.193,1264 1.247,1265 0.218,1266 1.244,1267 0.886,1268 0.821,1269 1.181,1270 1.169,1271 0.218,1272 1.169,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.208,1278 1.107,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.844,1285 8.494,1286 7.05,1287 10.154,1289 1.843,1293 6.021,1295 0.535,1297 5.824,1305 27.983,1306 64.67,1307 149.119,1308 178.438,1309 198.968,1310 201.722,1311 201.722,1312 29.566,1313 7.476,1314 78.85,1315 78.85,1316 23,1317 12.525,1318 4.524,1319 3.585,1320 36.192,1321 98,1322 99,1323 0.182,1324 172.145,1325 281.61,1326 411.794,1327 18456,1329 17.225,1330 0.689,1331 0.55,1332 17.225,1333 13.755,1334 12.22,1335 0.436,1336 0.283,1337 7.807,1338 11.757,1339 7.607,1340 6.341,1341 12.22,1342 7.925,1343 10.888,1344 0.279,1345 0.147,1346 10.888,1347 5.728,1348 9.422,1349 0.178,1350 0.076,1351 9.422,1352 4.026,1353 8.006,1354 0.113,1355 0.039,1356 8.006,1357 2.761,1358 6.676,1359 0.074,1360 0.021,1361 6.676,1362 1.86,1363 0.289,1364 76.495,1365 0.228,1366 24.552,1367 0.486,1368 134,1369 379.628,1370 146.313,1371 373.401,1372 525.59,1373 352,1374 159,1375 404.043,1376 172.618,1377 411.174,1378 600.41,1379 386,1380 5}
{0 CHEMBL1242207,1 1.465,2 8.043,3 2.184,4 4.769,5 90.856,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.95,13 3.341,14 4.285,15 4.465,16 3.795,17 3.74,18 5.377,19 3.722,20 4.484,21 4.682,22 3.866,23 3.868,24 5.556,25 3.832,26 4.578,27 4.807,28 3.825,29 3.866,30 5.657,31 3.806,32 4.5,33 4.727,34 3.653,35 3.793,36 5.496,37 3.718,38 4.404,39 4.607,40 3.603,41 3.729,42 5.481,43 3.653,44 4.508,45 4.775,46 3.39,47 3.658,48 5.488,49 3.534,50 4.346,51 4.653,52 3.124,53 3.416,54 5.182,55 3.259,56 0.046,57 0.654,58 7.273,59 3.04,60 9,61 4.033,62 0.15,63 1.027,64 13.513,65 5.083,66 16.556,67 6.987,68 0.15,69 1.212,70 17.128,71 6.036,72 17.556,73 8.448,74 0.287,75 1.279,76 20.163,77 6.827,78 32.001,79 9.712,80 0.2,81 1.161,82 18.521,83 6.085,84 23.89,85 8.641,86 0.108,87 1.076,88 15.841,89 5.778,90 21.89,91 8.092,92 0.249,93 1.085,94 20.362,95 6.472,96 37.001,97 9.471,98 0.175,99 0.848,100 18.985,101 6.464,102 24.112,103 9.739,104 11,105 38,106 0.256,107 0.643,108 0.793,109 0.837,110 0.837,111 0.837,112 3.19,113 0.863,114 -4.45,115 -4.38,116 -4.13,119 43.6,120 2,127 1,142 4,143 4,145 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 9,177 1,178 1,180 1,183 10,185 1,186 1,187 7,195 7,198 2,199 10,201 3,202 3,204 1,207 5,209 1,212 9,217 2,220 4,222 2,224 8,229 4,232 4,234 4,236 1,237 5,242 2,245 4,247 2,249 1,258 4,262 2,265 1,266 1,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.264,282 9.487,283 9.059,284 15.964,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.221,291 7.5,292 4.27,293 13.349,294 3.82,295 1.611,296 0.757,297 0.5,298 0.5,299 0.5,300 3.888,303 1,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 15.609,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49,331 185,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.223,341 4.396,342 2.923,343 6.247,344 3.904,345 2.913,346 4.324,348 9.372,349 2.884,350 3.85,351 2.664,352 6.069,353 3.513,354 2.554,355 3.298,357 8.561,358 2.447,359 3.744,360 2.399,361 5.712,362 3.33,363 2.367,364 3.179,366 7.453,367 2.277,368 3.118,369 1.822,370 4.82,371 2.685,372 1.744,373 2.427,375 4.819,376 1.638,377 3.08,378 1.618,379 4.531,380 2.614,381 1.618,382 2.368,384 4.487,385 1.612,386 3.016,387 1.579,388 4.367,389 2.517,390 1.579,391 2.141,393 4.088,394 1.478,395 2.86,396 1.368,397 3.864,398 2.304,399 1.368,400 2.035,402 2.999,403 1.278,404 2.527,405 1.059,406 3.614,407 2.008,408 1.058,409 1.539,411 2.733,412 1.002,413 2.186,414 0.856,415 3.486,416 1.797,417 0.827,418 1.077,420 2.06,421 0.8,422 2.085,423 0.639,424 3.162,425 1.607,426 0.632,427 0.922,428 1.506,429 0.615,430 1.084,431 -0.144,432 2.682,433 0.659,434 -0.273,435 -0.348,436 -0.643,437 -0.251,438 1.03,439 -0.409,440 2.425,441 0.543,442 -0.415,443 -0.587,445 -1.037,446 -0.401,447 0.882,448 -0.618,449 2.262,450 0.357,451 -0.618,452 -0.927,454 -1.598,455 -0.6,456 0.644,457 -0.776,458 2.229,459 0.128,460 -0.811,461 -1,463 -2,464 -0.758,465 10.9,466 0.474,467 0.61,468 0.027,469 34,470 1.478,471 18.5,472 0.804,473 15.5,474 0.674,475 16.146,476 0.702,477 23.3,478 0.597,479 22.993,480 1,481 6.504,482 0.283,483 4.644,484 0.202,485 0.128,487 0.404,493 0.868,494 1.228,495 0.738,496 0.978,497 1.061,498 0.864,499 0.834,500 1.005,501 0.709,502 0.834,503 0.658,504 0.768,505 1.097,506 1.147,507 0.896,508 0.961,509 0.814,510 0.91,511 0.953,512 0.935,513 0.955,514 0.944,515 0.941,516 0.949,517 1.345,518 1.026,519 1.163,520 1.001,521 1.083,522 1.046,523 1.13,524 1.312,525 1.187,526 1.287,527 1.209,528 1.253,529 1.225,530 0.938,531 1.215,532 1.043,533 1.54,534 1.112,535 0.622,536 0.856,537 0.807,538 0.917,539 0.646,540 0.895,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 13392,553 2.141,554 41,556 5,558 3,559 2,561 6,564 1.663,565 2,566 3.014,567 0.321,568 1,569 1,571 1,573 57.134,574 1.465,575 3.675,576 4.529,577 4.785,578 4.785,579 4.785,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,590 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.33,606 1,607 0.777,608 104.655,609 0.027,610 -0.08,611 0.059,612 -0.011,613 -0.163,614 0.021,615 0.142,616 0.083,617 0.169,618 0.129,619 0.145,620 0.148,621 -0.091,622 -0.089,623 0.01,624 -0.006,625 0.014,626 0.012,627 0.117,628 0.085,629 0.003,630 0.003,631 0.083,632 -0.01,633 -0.301,634 -0.006,635 -0.216,636 -0.052,637 -0.167,638 -0.108,639 -0.196,640 -0.287,641 -0.28,642 -0.321,643 -0.137,644 -0.314,645 -0.19,646 0.002,647 -0.198,648 -0.081,649 -0.316,650 -0.13,651 0.189,652 -0.047,653 0.279,654 0.121,655 0.244,656 0.196,657 1.216,658 2.106,659 0.826,660 15.981,661 1.001,662 1.13,663 3.218,664 10.356,665 0.688,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.661,678 304.39,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 15.4,693 1,697 1,699 4,703 4,704 7,705 4,709 3,710 1,711 21,722 1,731 39,733 21,734 1,735 26,737 42,738 17,739 14,740 3,741 3,746 4,747 6,752 2,758 1,761 14,762 3,777 1,778 1,781 16,782 5,783 2,784 6,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,858 1,877 11.5,878 7.75,879 4.944,880 2.358,881 4.316,882 1.577,883 1.034,884 3.154,885 11.795,886 3.624,887 4.341,888 5.068,889 5.772,890 6.396,891 6.819,892 7.316,893 7.841,894 8.264,895 8.596,896 1,897 40,898 8.434,900 3.617,901 7.63,902 16.169,904 13.441,905 2.13,906 49,910 164.795,911 99.973,912 101.693,917 99.973,918 164.795,919 101.693,920 17.65,922 70.802,923 104.048,924 42.151,925 2.328,926 129.482,928 164.795,929 201.667,933 94.169,934 70.627,937 50.612,938 84.035,939 67.02,941 164.795,942 101.693,943 99.973,946 164.795,947 17.704,948 84.045,950 99.917,951 164.795,952 101.693,953 99.973,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.048,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 13.951,975 5.2,976 2.202,977 3.764,978 99.917,979 13.265,980 17.395,984 2.256,985 1.888,986 32.897,987 366.462,988 36.5,999 39.029,1000 44.066,1001 0.277,1002 0.695,1003 0.857,1004 0.905,1005 0.905,1006 0.905,1007 4.862,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 5.027,1014 6.632,1015 4.273,1016 6.113,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.956,1023 7.667,1024 3.92,1025 7.453,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.398,1032 10.825,1033 5.865,1034 8.836,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.195,1041 12.713,1042 6.347,1043 10.255,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 10.095,1050 15.399,1051 7.784,1052 11.699,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.297,1059 17.635,1060 8.638,1061 13.165,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.976,1068 20.172,1069 9.884,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.365,1077 22.553,1078 10.903,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.954,1086 25.048,1087 12.08,1088 2.554,1089 9.372,1090 21.934,1091 4.737,1092 13.51,1093 17.426,1095 27.49,1096 13.171,1097 2.367,1098 8.561,1099 23.83,1100 4.324,1101 14.7,1102 18.982,1104 29.975,1105 14.327,1106 1.744,1107 7.453,1108 25.732,1109 3.298,1110 15.861,1111 20.49,1113 32.444,1114 15.452,1115 1.618,1116 4.819,1117 27.64,1118 3.179,1119 17.047,1120 22.034,1122 34.929,1123 16.602,1124 1.579,1125 4.487,1126 29.553,1127 2.427,1128 18.225,1129 23.56,1131 37.41,1132 17.743,1133 4990,1134 8097,1135 17.512,1136 26.841,1137 40.362,1138 39.93,1139 41.515,1140 40.009,1141 39.997,1142 56.095,1144 120.33,1145 38.506,1146 5.429,1147 5.376,1148 6.727,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.223,1155 10.072,1156 1.552,1157 1.536,1158 1.597,1159 1.539,1160 1.538,1161 2.157,1163 4.628,1164 1.481,1165 4.158,1166 4.199,1167 4.136,1168 4.062,1169 5.257,1170 4.071,1171 3.991,1172 4.029,1173 3.956,1174 3.863,1175 4.987,1176 3.886,1177 3.578,1178 3.656,1179 3.445,1180 3.414,1181 4.852,1182 3.404,1183 3.431,1184 3.485,1185 3.362,1186 3.292,1187 4.538,1188 3.303,1189 3.154,1190 3.241,1191 3.046,1192 2.986,1193 4.363,1194 2.989,1195 3.025,1196 3.114,1197 2.907,1198 2.814,1199 4.054,1200 2.837,1201 2.958,1202 3.041,1203 2.845,1204 2.673,1205 3.873,1206 2.709,1207 2.874,1208 3.009,1209 2.499,1210 2.618,1211 3.687,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.128,1218 4.762,1219 0.182,1220 3.376,1222 7.039,1223 0.465,1224 4.303,1225 0.124,1226 3.339,1227 4.737,1229 12.088,1230 3.223,1231 2.056,1232 2.036,1233 2.128,1234 2.125,1235 1.26,1236 2.128,1237 1.825,1238 1.782,1239 1.948,1240 2.02,1241 1.145,1242 1.993,1243 1.645,1244 1.58,1245 1.805,1246 1.845,1247 0.897,1248 1.842,1249 1.406,1250 1.353,1251 1.56,1252 1.578,1253 0.567,1254 1.578,1255 1.117,1256 1.062,1257 1.417,1258 1.361,1259 0.469,1260 1.343,1261 0.965,1262 0.883,1263 1.295,1264 1.239,1265 0.355,1266 1.308,1267 0.934,1268 0.804,1269 1.201,1270 1.221,1271 0.101,1272 1.233,1273 0.797,1274 0.726,1275 1.015,1276 1.123,1277 0.027,1278 1.109,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.14,1293 6.106,1299 0.185,1305 25.762,1306 57.134,1307 143.318,1308 176.621,1309 186.621,1310 186.621,1311 186.621,1312 27.353,1313 7.478,1314 82.51,1315 82.51,1316 23,1317 12.676,1318 4.459,1319 3.524,1320 31.639,1321 67,1322 68,1323 0.235,1324 158.686,1325 251.86,1326 378.953,1327 16621,1329 15.974,1330 0.695,1331 0.562,1332 15.974,1333 12.932,1334 11.148,1335 0.429,1336 0.288,1337 7.382,1338 10.749,1339 7.149,1340 5.975,1341 11.148,1342 7.478,1343 10.335,1344 0.272,1345 0.152,1346 10.335,1347 5.782,1348 8.979,1349 0.166,1350 0.073,1351 8.979,1352 3.921,1353 7.939,1354 0.104,1355 0.037,1356 7.939,1357 2.788,1358 6.765,1359 0.067,1360 0.019,1361 6.765,1362 1.962,1363 0.352,1364 69.53,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 339.538,1370 138.824,1371 340.188,1372 485.71,1373 320,1374 156,1375 383.406,1376 168.129,1377 390.739,1378 575.64,1379 368,1380 4.495}
{0 CHEMBL1242208,1 1.465,2 8.043,3 2.184,4 4.769,5 90.856,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.95,13 3.341,14 4.285,15 4.465,16 3.795,17 3.74,18 5.377,19 3.722,20 4.484,21 4.682,22 3.866,23 3.868,24 5.556,25 3.832,26 4.578,27 4.807,28 3.825,29 3.866,30 5.656,31 3.806,32 4.5,33 4.726,34 3.657,35 3.787,36 5.501,37 3.713,38 4.407,39 4.617,40 3.606,41 3.715,42 5.494,43 3.641,44 4.487,45 4.751,46 3.392,47 3.639,48 5.475,49 3.519,50 4.337,51 4.646,52 3.13,53 3.4,54 5.211,55 3.244,56 0.046,57 0.654,58 7.273,59 3.04,60 9,61 4.033,62 0.15,63 1.027,64 13.513,65 5.083,66 16.556,67 6.987,68 0.15,69 1.212,70 17.128,71 6.036,72 17.556,73 8.448,74 0.287,75 1.279,76 20.163,77 6.827,78 31.667,79 9.712,80 0.19,81 1.163,82 18.485,83 6.084,84 23.779,85 8.655,86 0.146,87 1.079,88 16.143,89 5.685,90 24.112,91 7.995,92 0.236,93 1.071,94 19.808,95 6.281,96 34.667,97 9.192,98 0.226,99 0.844,100 18.901,101 6.414,102 29.778,103 9.639,104 11,105 38,106 0.256,107 0.643,108 0.793,109 0.837,110 0.837,111 0.837,112 3.19,113 0.863,114 -4.45,115 -4.38,116 -4.13,119 43.6,120 2,127 1,142 4,143 4,145 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 9,177 1,178 1,180 1,183 10,185 1,186 1,187 7,195 7,198 2,199 10,201 3,202 3,204 1,207 5,209 1,212 8,217 2,220 3,222 2,223 1,224 9,229 4,232 5,234 4,236 1,237 3,242 1,245 4,247 1,249 2,250 2,252 1,253 1,255 1,258 2,260 1,263 2,271 2,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.264,282 9.487,283 9.059,284 15.964,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.221,291 7.5,292 4.27,293 13.349,294 3.82,295 1.611,296 0.757,297 0.5,298 0.5,299 0.5,300 3.888,303 1,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 15.681,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49,331 185,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.223,341 4.396,342 2.923,343 6.247,344 3.904,345 2.913,346 4.324,348 9.372,349 2.883,350 3.85,351 2.664,352 6.069,353 3.513,354 2.554,355 3.298,357 8.561,358 2.448,359 3.744,360 2.399,361 5.712,362 3.331,363 2.367,364 3.179,366 7.453,367 2.278,368 3.118,369 1.822,370 4.82,371 2.685,372 1.744,373 2.427,375 4.819,376 1.638,377 3.08,378 1.618,379 4.531,380 2.606,381 1.618,382 2.368,384 4.487,385 1.599,386 3.016,387 1.579,388 4.367,389 2.522,390 1.579,391 2.141,393 4.088,394 1.484,395 2.86,396 1.368,397 3.864,398 2.31,399 1.368,400 2.035,402 2.999,403 1.285,404 2.527,405 1.059,406 3.614,407 2.006,408 1.058,409 1.539,411 2.733,412 1.001,413 2.186,414 0.856,415 3.486,416 1.795,417 0.827,418 1.077,420 2.06,421 0.798,422 2.085,423 0.639,424 3.162,425 1.607,426 0.632,427 0.922,428 1.506,429 0.615,430 1.084,431 -0.144,432 2.682,433 0.658,434 -0.273,435 -0.348,436 -0.643,437 -0.251,438 1.03,439 -0.409,440 2.425,441 0.54,442 -0.415,443 -0.587,445 -1.037,446 -0.399,447 0.882,448 -0.618,449 2.262,450 0.367,451 -0.618,452 -0.927,454 -1.598,455 -0.608,456 0.644,457 -0.776,458 2.229,459 0.126,460 -0.811,461 -1,463 -2,464 -0.756,465 10.9,466 0.474,467 0.61,468 0.027,469 34,470 1.478,471 18.5,472 0.804,473 15.5,474 0.674,475 16.139,476 0.702,477 23.3,478 0.597,479 23.001,480 1,481 6.504,482 0.283,483 4.644,484 0.202,485 0.128,487 0.404,493 0.868,494 1.228,495 0.738,496 0.978,497 1.061,498 0.864,499 0.834,500 1.005,501 0.709,502 0.834,503 0.658,504 0.768,505 1.097,506 1.147,507 0.896,508 0.961,509 0.814,510 0.91,511 0.953,512 0.935,513 0.955,514 0.944,515 0.948,516 0.949,517 1.326,518 1.074,519 1.156,520 1.033,521 1.068,522 1.063,523 1.148,524 1.239,525 1.172,526 1.224,527 1.22,528 1.206,529 1.23,530 0.991,531 1.215,532 1.073,533 1.571,534 1.129,535 0.536,536 0.733,537 0.792,538 0.867,539 0.603,540 0.867,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 13296,553 2.141,554 41,556 5,558 3,559 2,561 6,564 1.663,565 2,566 3.014,567 0.321,568 1,569 1,571 1,573 57.134,574 1.465,575 3.675,576 4.529,577 4.785,578 4.785,579 4.785,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,590 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.33,606 1,607 0.777,608 104.655,609 0.027,610 -0.08,611 0.059,612 -0.011,613 -0.163,614 0.021,615 0.142,616 0.083,617 0.169,618 0.129,619 0.145,620 0.148,621 -0.091,622 -0.089,623 0.01,624 -0.006,625 0.014,626 0.012,627 0.117,628 0.085,629 0.003,630 0.003,631 0.076,632 -0.01,633 -0.282,634 -0.056,635 -0.208,636 -0.084,637 -0.151,638 -0.126,639 -0.15,640 -0.21,641 -0.252,642 -0.271,643 -0.106,644 -0.275,645 -0.182,646 -0.044,647 -0.201,648 -0.115,649 -0.335,650 -0.152,651 0.314,652 0.084,653 0.3,654 0.163,655 0.335,656 0.217,657 1.219,658 2.104,659 0.826,660 15.981,661 1.001,662 1.13,663 3.218,664 10.356,665 0.688,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.661,678 304.39,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 15.4,693 1,697 1,699 4,703 4,704 7,705 4,709 3,710 1,711 21,722 1,731 39,733 21,734 1,735 26,737 42,738 17,739 14,740 3,741 3,746 4,747 6,752 2,758 1,761 14,762 3,777 1,778 1,781 16,782 5,783 2,784 6,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,858 1,877 11.5,878 7.75,879 4.944,880 2.358,881 4.316,882 1.577,883 1.034,884 3.154,885 11.795,886 3.624,887 4.341,888 5.068,889 5.772,890 6.396,891 6.819,892 7.316,893 7.841,894 8.264,895 8.596,896 1,897 40,898 8.435,900 3.617,901 7.63,902 16.169,904 13.441,905 2.13,906 49,910 164.795,911 99.973,912 101.693,917 99.973,918 164.795,919 101.693,920 17.65,922 70.802,923 104.048,924 42.151,925 2.328,926 129.482,928 164.795,929 201.667,933 94.169,934 70.627,937 50.612,938 84.035,939 67.02,941 164.795,942 101.693,943 99.973,946 164.795,947 17.704,948 84.045,950 99.917,951 164.795,952 101.693,953 99.973,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.048,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 13.951,975 5.2,976 2.202,977 3.756,978 99.917,979 13.278,980 17.425,984 2.233,985 1.885,986 32.897,987 366.462,988 36.5,999 39.029,1000 44.066,1001 0.277,1002 0.695,1003 0.857,1004 0.905,1005 0.905,1006 0.905,1007 4.862,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 5.027,1014 6.632,1015 4.273,1016 6.113,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.956,1023 7.667,1024 3.92,1025 7.453,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.398,1032 10.825,1033 5.865,1034 8.836,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.195,1041 12.713,1042 6.347,1043 10.255,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 10.095,1050 15.399,1051 7.784,1052 11.699,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.297,1059 17.635,1060 8.638,1061 13.165,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.976,1068 20.172,1069 9.884,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.365,1077 22.553,1078 10.903,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.954,1086 25.048,1087 12.08,1088 2.554,1089 9.372,1090 21.934,1091 4.737,1092 13.51,1093 17.426,1095 27.49,1096 13.171,1097 2.367,1098 8.561,1099 23.83,1100 4.324,1101 14.7,1102 18.982,1104 29.975,1105 14.327,1106 1.744,1107 7.453,1108 25.732,1109 3.298,1110 15.861,1111 20.49,1113 32.444,1114 15.451,1115 1.618,1116 4.819,1117 27.64,1118 3.179,1119 17.047,1120 22.034,1122 34.929,1123 16.602,1124 1.579,1125 4.487,1126 29.553,1127 2.427,1128 18.225,1129 23.56,1131 37.41,1132 17.743,1133 4990,1134 8071,1135 17.512,1136 26.841,1137 40.362,1138 39.93,1139 41.515,1140 40.008,1141 39.997,1142 56.095,1144 120.33,1145 38.507,1146 5.429,1147 5.376,1148 6.727,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.223,1155 10.072,1156 1.552,1157 1.536,1158 1.597,1159 1.539,1160 1.538,1161 2.157,1163 4.628,1164 1.481,1165 4.158,1166 4.199,1167 4.136,1168 4.061,1169 5.258,1170 4.071,1171 3.991,1172 4.029,1173 3.956,1174 3.863,1175 4.987,1176 3.886,1177 3.578,1178 3.656,1179 3.445,1180 3.414,1181 4.851,1182 3.405,1183 3.431,1184 3.486,1185 3.363,1186 3.292,1187 4.537,1188 3.304,1189 3.143,1190 3.235,1191 3.037,1192 2.951,1193 4.367,1194 2.953,1195 3.029,1196 3.109,1197 2.91,1198 2.866,1199 4.061,1200 2.883,1201 2.974,1202 3.06,1203 2.855,1204 2.677,1205 3.853,1206 2.715,1207 2.874,1208 3.009,1209 2.499,1210 2.618,1211 3.679,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.128,1218 4.762,1219 0.182,1220 3.376,1222 7.039,1223 0.465,1224 4.303,1225 0.124,1226 3.339,1227 4.737,1229 12.088,1230 3.223,1231 2.056,1232 2.036,1233 2.128,1234 2.125,1235 1.26,1236 2.128,1237 1.825,1238 1.782,1239 1.948,1240 2.02,1241 1.145,1242 1.993,1243 1.646,1244 1.581,1245 1.806,1246 1.846,1247 0.899,1248 1.843,1249 1.406,1250 1.353,1251 1.557,1252 1.578,1253 0.566,1254 1.578,1255 1.08,1256 1.021,1257 1.417,1258 1.357,1259 0.469,1260 1.335,1261 1.009,1262 0.94,1263 1.279,1264 1.239,1265 0.334,1266 1.308,1267 0.934,1268 0.804,1269 1.217,1270 1.211,1271 0.172,1272 1.228,1273 0.823,1274 0.742,1275 1.07,1276 1.141,1277 0.032,1278 1.134,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.137,1293 6.104,1299 0.183,1305 25.762,1306 57.134,1307 143.318,1308 176.621,1309 186.621,1310 186.621,1311 186.621,1312 27.414,1313 7.478,1314 82.51,1315 82.51,1316 23,1317 12.676,1318 4.459,1319 3.524,1320 31.639,1321 67,1322 68,1323 0.235,1324 158.686,1325 251.86,1326 378.953,1327 16621,1329 15.974,1330 0.695,1331 0.562,1332 15.974,1333 12.932,1334 11.148,1335 0.429,1336 0.288,1337 7.382,1338 10.749,1339 7.149,1340 5.975,1341 11.148,1342 7.478,1343 10.335,1344 0.272,1345 0.152,1346 10.335,1347 5.782,1348 8.979,1349 0.166,1350 0.073,1351 8.979,1352 3.921,1353 7.939,1354 0.104,1355 0.037,1356 7.939,1357 2.79,1358 6.765,1359 0.067,1360 0.019,1361 6.765,1362 1.956,1363 0.352,1364 69.53,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 339.538,1370 138.824,1371 340.188,1372 485.71,1373 320,1374 156,1375 383.406,1376 168.129,1377 390.739,1378 575.64,1379 368,1380 6.354}
{0 CHEMBL1242209,1 1.449,2 8.125,3 2.895,4 8.381,5 95.076,6 7.581,7 0.778,8 3.854,9 3.989,10 3.452,11 3.408,12 4.987,13 3.393,14 4.36,15 4.547,16 3.848,17 3.795,18 5.435,19 3.771,20 4.555,21 4.758,22 3.918,23 3.92,24 5.631,25 3.886,26 4.646,27 4.875,28 3.875,29 3.937,30 5.707,31 3.872,32 4.582,33 4.808,34 3.718,35 3.878,36 5.569,37 3.794,38 4.504,39 4.716,40 3.674,41 3.81,42 5.555,43 3.725,44 4.58,45 4.847,46 3.48,47 3.73,48 5.571,49 3.603,50 4.435,51 4.743,52 3.259,53 3.506,54 5.266,55 3.367,56 0.05,57 0.693,58 8.25,59 3.376,60 9.154,61 4.603,62 0.145,63 1.093,64 15.324,65 5.672,66 17.557,67 8.033,68 0.189,69 1.3,70 19.172,71 6.22,72 22.579,73 9,74 0.302,75 1.36,76 22.054,77 7.399,78 33.972,79 10.717,80 0.218,81 1.253,82 20.513,83 6.895,84 26.337,85 9.982,86 0.137,87 1.174,88 18.394,89 6.609,90 23.826,91 9.511,92 0.285,93 1.167,94 22.052,95 7.109,96 41.867,97 10.553,98 0.18,99 0.934,100 20.564,101 6.624,102 25.824,103 10.15,104 18,105 40,106 0.25,107 0.638,108 0.775,109 0.823,110 0.831,111 0.831,112 3.23,113 0.879,114 -4.69,115 -4.6,116 -4.33,119 42.9,120 3,127 1,142 5,143 3,146 3,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 11,177 1,178 1,180 1,183 9,185 1,186 1,187 8,195 8,198 2,199 8,201 3,202 3,204 1,207 8,209 1,211 1,212 7,217 2,220 6,222 2,223 1,224 6,229 3,232 6,234 3,236 2,237 5,239 1,240 1,242 1,245 4,247 1,250 6,255 1,258 2,260 1,263 4,268 2,271 2,273 2,275 756,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 13.687,282 11.912,283 9.195,284 16.411,285 13.321,286 13.321,287 13.321,288 13.321,289 13.321,290 9.634,291 8.971,292 4.348,293 13.848,294 3.944,295 1.693,296 0.902,297 0.625,298 0.578,299 0.578,300 3.925,303 1,304 1,305 1,306 426,307 2.739,310 43.372,311 159.679,314 83.425,315 88.462,318 1.219,319 16.734,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 195,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.427,342 2.976,343 6.264,344 3.927,345 2.949,346 4.36,348 9.456,349 2.882,350 3.871,351 2.679,352 6.081,353 3.527,354 2.568,355 3.34,357 8.602,358 2.462,359 3.763,360 2.48,361 5.717,362 3.361,363 2.4,364 3.188,366 7.474,367 2.304,368 3.503,369 2.244,370 4.961,371 3.077,372 2.103,373 2.895,375 5.821,376 2.046,377 3.1,378 1.821,379 4.82,380 2.684,381 1.743,382 2.399,384 4.819,385 1.638,386 3.025,387 1.601,388 4.535,389 2.573,390 1.601,391 2.225,393 4.487,394 1.554,395 2.97,396 1.493,397 4.334,398 2.438,399 1.486,400 2.126,402 3.963,403 1.41,404 2.543,405 1.08,406 3.861,407 2.023,408 1.074,409 1.562,411 2.764,412 1.016,413 2.238,414 0.875,415 3.493,416 1.824,417 0.848,418 1.134,420 2.093,421 0.826,422 2.1,423 0.726,424 3.282,425 1.668,426 0.694,427 0.971,428 1.71,429 0.675,430 1.176,431 -0.011,432 2.713,433 0.769,434 -0.21,435 -0.275,436 -0.493,437 -0.204,438 1.07,439 -0.148,440 2.433,441 0.639,442 -0.286,443 -0.367,445 -0.678,446 -0.263,447 1.016,448 -0.422,449 2.395,450 0.526,451 -0.434,452 -0.614,454 -1.237,455 -0.418,456 0.645,457 -0.774,458 2.264,459 0.132,460 -0.809,461 -1,463 -2,464 -0.756,465 11.4,466 0.475,467 0.716,468 0.03,469 34.5,470 1.438,471 18.5,472 0.771,473 16,474 0.667,475 18.214,476 0.759,477 24.6,478 0.586,479 23.889,480 0.995,481 6.554,482 0.273,483 4.988,484 0.208,485 0.167,487 0.43,493 0.861,494 1.243,495 0.765,496 1.005,497 1.104,498 0.895,499 0.761,500 1.083,501 0.656,502 0.863,503 0.571,504 0.766,505 1.297,506 1.142,507 0.943,508 0.914,509 0.965,510 0.885,511 0.983,512 0.94,513 0.963,514 0.941,515 0.966,516 0.948,517 1.237,518 1.026,519 1.146,520 1.038,521 1.029,522 1.072,523 1.029,524 1.292,525 1.134,526 1.269,527 1.156,528 1.225,529 1.086,530 0.935,531 1.162,532 1.06,533 1.453,534 1.11,535 0.835,536 0.884,537 0.786,538 0.823,539 0.718,540 0.802,541 5,542 0.037,543 3.111,544 2.104,545 2.06,546 0.882,547 0.566,548 0.38,549 0.285,550 0.141,551 5834,552 14103,553 2.11,554 42.9,556 6,558 1,559 2,560 3,561 6,564 1.675,565 1.946,566 3.048,567 0.296,568 1,569 1,571 1,573 60.85,574 1.449,575 3.7,576 4.491,577 4.767,578 4.815,579 4.815,580 2.44,581 4.502,582 4.559,583 3.184,584 878.75,585 7.895,586 9900.58,587 1,588 1,590 1,591 226.477,592 1.483,593 4.504,594 0.185,595 0.006,596 0.078,597 0.05,598 0.053,599 0.027,600 0.018,601 0.016,602 0.014,603 0.01,604 0.457,605 0.33,606 1,607 0.813,608 111.138,609 0.042,610 -0.078,611 0.061,612 -0.013,613 -0.192,614 0.02,615 0.22,616 0.003,617 0.248,618 0.116,619 0.243,620 0.173,621 -0.155,622 -0.047,623 -0.016,624 0.023,625 -0.042,626 0.023,627 0.11,628 0.097,629 -0.004,630 0.009,631 0.072,632 -0.009,633 -0.204,634 0.005,635 -0.2,636 -0.078,637 -0.121,638 -0.128,639 -0.081,640 -0.265,641 -0.209,642 -0.294,643 -0.081,644 -0.274,645 -0.03,646 0.021,647 -0.157,648 -0.105,649 -0.205,650 -0.141,651 0.065,652 -0.042,653 0.275,654 0.176,655 0.173,656 0.24,657 1.223,658 2.125,659 0.792,660 17.125,661 0.998,662 1.131,663 3.456,664 11.942,665 0.681,666 3.332,667 3.714,668 4.043,669 4.382,670 4.673,671 4.804,672 4.913,673 5.088,674 5.193,675 5.215,676 5.15,677 0.65,678 318.42,679 3.332,680 4.905,681 5.79,682 6.706,683 7.613,684 8.535,685 9.451,686 10.375,687 11.294,688 12.219,689 14.3,693 1,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 1,731 42,733 21,734 1,735 27,737 45,738 18,739 14,740 3,741 3,746 4,747 6,752 3,758 1,761 14,762 4,777 1,778 1,781 18,782 5,783 2,784 6,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 3,848 24,849 1,858 1,877 12.333,878 8.667,879 5.111,880 2.575,881 4.312,882 1.568,883 1.025,884 3.38,885 11.898,886 3.651,887 4.379,888 5.096,889 5.803,890 6.437,891 6.873,892 7.355,893 7.894,894 8.332,895 8.68,896 1,897 42,898 8.816,900 3.772,901 7.611,902 16.943,904 14.067,905 2.111,906 50.667,909 1,910 188.338,911 102.508,912 101.693,917 102.508,918 188.338,919 101.693,920 26.476,922 80.278,923 80.506,924 26.384,925 2.328,926 176.567,928 188.338,929 204.201,933 117.711,934 70.627,937 46.244,938 90.938,939 67.02,941 188.338,942 101.693,943 102.508,946 188.338,947 20.032,948 84.252,950 99.917,951 188.338,952 101.693,953 102.508,955 0.597,956 0.355,957 0.202,958 0.12,959 22,960 10,961 0.044,962 2,963 2,964 1.211,965 3.488,966 211.984,967 0.211,968 19,969 108.039,974 14.888,975 5.448,976 2.407,977 3.583,978 99.917,979 11.699,980 17.885,984 3.188,985 1.885,986 32.897,987 392.539,988 37.5,999 41.912,1000 47.481,1001 0.269,1002 0.686,1003 0.833,1004 0.884,1005 0.893,1006 0.893,1007 4.9,1008 1.486,1009 5.808,1010 4.487,1011 4.394,1012 5.066,1014 6.688,1015 4.322,1016 6.161,1017 1.074,1018 7.41,1019 3.963,1020 4.111,1021 5.047,1023 7.716,1024 4.011,1025 7.507,1026 0.848,1027 9.112,1028 2.764,1029 6.052,1030 7.441,1032 10.864,1033 5.914,1034 8.893,1035 0.694,1036 10.872,1037 2.093,1038 6.567,1039 8.254,1041 12.736,1042 6.399,1043 10.311,1044 -0.21,1045 12.67,1046 1.71,1047 8.019,1048 10.133,1050 15.422,1051 7.818,1052 11.754,1053 -0.286,1054 14.494,1055 -0.493,1056 8.899,1057 11.339,1059 17.649,1060 8.665,1061 13.217,1062 -0.434,1063 16.338,1064 -0.678,1065 10.169,1066 13.009,1068 20.186,1069 9.903,1070 3.339,1071 -0.809,1072 18.199,1073 -1.237,1074 11.216,1075 14.399,1077 22.563,1078 10.916,1079 2.949,1080 12.088,1081 20.072,1082 -2,1083 12.422,1084 15.985,1086 25.057,1087 12.089,1088 2.568,1089 9.456,1090 21.955,1091 4.737,1092 13.545,1093 17.457,1095 27.497,1096 13.177,1097 2.4,1098 8.602,1099 23.847,1100 4.36,1101 14.732,1102 19.011,1104 29.982,1105 14.329,1106 2.103,1107 7.474,1108 25.747,1109 3.34,1110 15.891,1111 20.52,1113 32.449,1114 15.452,1115 1.743,1116 5.821,1117 27.654,1118 3.188,1119 17.075,1120 22.063,1122 34.934,1123 16.601,1124 1.601,1125 4.819,1126 29.565,1127 2.895,1128 18.251,1129 23.589,1131 37.413,1132 17.741,1133 5584,1134 8825,1135 17.918,1136 28.603,1137 42.048,1138 41.497,1139 43.589,1140 41.627,1141 41.611,1142 57.874,1144 126.555,1145 40.07,1146 5.431,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 12.134,1156 1.557,1157 1.537,1158 1.614,1159 1.542,1160 1.541,1161 2.143,1163 4.687,1164 1.484,1165 4.159,1166 4.2,1167 4.138,1168 4.056,1169 5.258,1170 4.068,1171 3.996,1172 4.036,1173 3.964,1174 3.865,1175 4.984,1176 3.888,1177 3.58,1178 3.657,1179 3.445,1180 3.441,1181 4.847,1182 3.432,1183 3.518,1184 3.569,1185 3.434,1186 3.386,1187 4.525,1188 3.386,1189 3.199,1190 3.282,1191 3.089,1192 3.019,1193 4.327,1194 3.025,1195 3.047,1196 3.145,1197 2.914,1198 2.827,1199 4.064,1200 2.843,1201 2.963,1202 3.059,1203 2.846,1204 2.747,1205 3.932,1206 2.74,1207 2.896,1208 3.009,1209 2.718,1210 2.673,1211 3.705,1212 2.701,1213 0.176,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.762,1219 0.175,1220 3.376,1222 7.039,1223 0.448,1224 4.303,1225 0.119,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 2.051,1232 2.029,1233 2.123,1234 2.13,1235 1.247,1236 2.129,1237 1.828,1238 1.785,1239 1.949,1240 2.021,1241 1.145,1242 1.993,1243 1.658,1244 1.597,1245 1.824,1246 1.851,1247 0.928,1248 1.849,1249 1.505,1250 1.452,1251 1.706,1252 1.659,1253 0.771,1254 1.681,1255 1.183,1256 1.117,1257 1.425,1258 1.409,1259 0.487,1260 1.409,1261 0.986,1262 0.901,1263 1.417,1264 1.288,1265 0.469,1266 1.308,1267 0.934,1268 0.836,1269 1.221,1270 1.239,1271 0.218,1272 1.295,1273 0.904,1274 0.804,1275 1.163,1276 1.143,1277 0.149,1278 1.143,1279 4.007,1281 5.371,1282 2.398,1283 6.934,1284 4.844,1285 8.592,1286 7.081,1287 10.3,1289 6.125,1293 6.125,1299 0.177,1305 27.289,1306 60.85,1307 155.384,1308 188.603,1309 200.213,1310 202.213,1311 202.213,1312 29.942,1313 7.586,1314 82.51,1315 82.51,1316 23,1317 12.726,1318 4.459,1319 3.524,1320 33.653,1321 73,1322 72,1323 0.23,1324 168.278,1325 269.16,1326 402.359,1327 18888,1329 16.845,1330 0.702,1331 0.577,1332 16.845,1333 13.855,1334 11.542,1335 0.427,1336 0.293,1337 7.815,1338 11.15,1339 7.515,1340 6.299,1341 11.542,1342 7.908,1343 10.968,1344 0.274,1345 0.155,1346 10.968,1347 6.205,1348 9.315,1349 0.166,1350 0.073,1351 9.315,1352 4.112,1353 8.195,1354 0.104,1355 0.037,1356 8.195,1357 2.924,1358 7.031,1359 0.066,1360 0.02,1361 7.031,1362 2.09,1363 0.346,1364 71.801,1365 0.236,1366 22.746,1367 0.676,1368 134,1369 347.538,1370 145.49,1371 348.752,1372 500.04,1373 328,1374 163,1375 398.11,1376 175.628,1377 405.396,1378 597.98,1379 382,1380 6.124}
{0 CHEMBL1242285,1 1.752,2 6.619,3 2.907,4 8.451,5 85.88,6 9.949,7 0.696,8 3.687,9 3.809,10 3.494,11 3.235,12 4.891,13 3.224,14 4.163,15 4.332,16 3.945,17 3.628,18 5.33,19 3.601,20 4.376,21 4.558,22 4.008,23 3.748,24 5.524,25 3.702,26 4.455,27 4.674,28 4.132,29 3.747,30 5.633,31 3.697,32 4.373,33 4.565,34 3.913,35 3.706,36 5.507,37 3.63,38 4.323,39 4.511,40 3.968,41 3.66,42 5.487,43 3.575,44 4.412,45 4.665,46 3.947,47 3.54,48 5.589,49 3.386,50 4.191,51 4.491,52 3.476,53 3.238,54 5.134,55 2.976,56 0.101,57 0.563,58 4.3,59 2.807,60 11.511,61 3.319,62 0.187,63 0.873,64 10.428,65 4.87,66 18.583,67 6.055,68 0.284,69 1.023,70 21.317,71 6.057,72 25.392,73 7.09,74 0.402,75 1.077,76 20.033,77 6.443,78 37.127,79 8.078,80 0.34,81 0.99,82 21.524,83 5.79,84 31.457,85 6.98,86 0.254,87 0.933,88 13.082,89 5.614,90 23.886,91 7.004,92 0.474,93 0.87,94 23.505,95 6.44,96 57.762,97 8.616,98 0.339,99 0.562,100 35.817,101 7.328,102 41.916,103 8.865,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.946,114 -4.77,115 -4.68,116 -4.4,117 1,119 40,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 7,177 1,178 1,180 3,183 7,185 1,186 1,187 5,192 1,195 4,198 2,199 6,201 3,202 3,204 3,207 3,209 1,212 6,215 1,217 3,220 4,222 2,224 4,227 1,229 2,232 4,234 2,237 4,240 2,241 1,242 2,244 1,247 2,255 2,258 4,275 527,276 13.723,277 13.723,278 13.723,279 13.723,280 13.723,281 11.815,282 13.287,283 7.865,284 14.189,285 11.35,286 11.35,287 11.35,288 11.35,289 11.35,290 8.404,291 10.225,292 3.721,293 12.159,294 3.378,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.777,303 1,304 1,305 1,306 292,307 2.646,310 38.993,311 106.475,314 74.812,318 1.007,319 20.795,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 45.25,331 139,332 4.76,333 3.381,334 7.04,335 4.302,336 3.339,337 4.732,339 12.09,340 3.216,341 4.17,342 3.019,343 6.169,344 3.731,345 2.779,346 3.829,348 8.966,349 2.635,350 3.801,351 2.664,352 5.816,353 3.456,354 2.509,355 3.205,357 7.831,358 2.373,359 3.564,360 2.431,361 5.249,362 3.129,363 2.197,364 2.946,366 6.461,367 2.032,368 3.232,369 2.291,370 4.818,371 2.745,372 1.879,373 2.481,375 4.963,376 1.634,377 3.024,378 1.818,379 4.618,380 2.681,381 1.741,382 2.172,384 4.817,385 1.513,386 2.918,387 1.471,388 4.36,389 2.379,390 1.443,391 2.094,393 3.878,394 1.324,395 2.483,396 1.038,397 3.854,398 1.98,399 1.027,400 1.476,402 2.729,403 0.974,404 2.113,405 0.83,406 3.483,407 1.745,408 0.787,409 1.011,411 2.008,412 0.75,413 1.063,414 0.187,415 2.711,416 0.634,417 -0.284,418 -0.362,420 -0.669,421 -0.206,422 1,423 -0.057,424 2.426,425 0.55,426 -0.347,427 -0.445,428 -0.891,429 -0.261,430 0.925,431 -0.152,432 2.382,433 0.441,434 -0.449,435 -0.573,436 -1.16,437 -0.376,438 0.643,439 -0.631,440 2.256,441 0.135,442 -0.741,443 -0.947,445 -2,446 -0.634,447 0.287,448 -0.822,449 2.13,451 -0.949,452 -1,454 -2.053,455 -0.837,456 0.041,457 -1,458 1.806,459 -0.085,460 -1,461 -1.173,463 -2.7,464 -1,465 10.667,466 0.508,467 0.703,468 0.033,469 28.75,470 1.369,471 15,472 0.714,473 13.75,474 0.655,475 17.481,476 0.832,477 21.733,478 0.621,479 18.465,480 0.879,481 5.259,482 0.25,483 4.71,484 0.224,485 0.288,487 0.413,493 0.937,494 1.202,495 0.486,496 0.754,497 1.096,498 0.786,499 0.689,500 1.069,501 0.534,502 0.719,503 0.513,504 0.715,505 1.177,506 1.206,507 0.962,508 0.954,509 0.991,510 0.924,511 0.782,512 0.89,513 0.599,514 0.745,515 0.713,516 0.772,517 1.116,518 1.134,519 1.002,520 1.072,521 0.882,522 1.126,523 0.906,524 1.316,525 0.737,526 1.089,527 1.02,528 1.197,529 0.752,530 0.944,531 0.829,532 1.045,533 0.929,534 1.15,535 1.15,536 0.598,537 1.52,538 1.049,539 1.225,540 0.969,541 5,543 2.444,544 2.292,545 1.807,546 0.716,547 0.656,548 0.313,549 0.082,551 3598,552 11771,553 2.018,554 40,556 4,558 1,559 3,561 6,564 1.641,565 1.826,566 2.788,567 1.156,569 1,571 1,573 61.309,574 1.752,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.136,581 4.011,582 4.366,583 2.91,584 611.075,585 7.529,586 6331.53,587 1,588 1,589 1,590 1,591 179.525,592 1.545,593 4.289,594 0.217,596 0.072,597 0.065,598 0.052,599 0.025,600 0.024,601 0.017,602 0.009,604 0.482,605 0.33,606 1,607 0.911,608 91.653,609 -0.098,610 -0.026,611 -0.006,612 0.044,613 -0.232,614 0.042,615 0.101,616 0.039,617 0.061,618 0.12,619 0.158,620 0.173,621 -0.202,622 -0.134,623 -0.081,624 -0.041,625 -0.127,626 -0.029,627 0.146,628 0.152,629 0.088,630 0.106,631 0.133,632 0.14,633 -0.19,634 -0.062,635 -0.117,636 -0.163,637 -0.082,638 -0.23,639 -0.042,640 -0.266,641 -0.004,642 -0.212,643 -0.126,644 -0.292,645 0.221,646 -0.032,647 0.079,648 -0.096,649 0.135,650 -0.154,651 -0.052,652 0.097,653 -0.004,654 0.173,655 0.024,656 0.215,657 1.512,658 3.785,659 0.714,660 13.234,661 1.014,662 1.132,663 3.54,664 12.533,665 0.704,666 3.178,667 3.555,668 3.85,669 4.205,670 4.443,671 4.575,672 4.635,673 4.7,674 4.605,675 4.522,676 4.466,677 0.671,678 348.23,679 3.178,680 4.745,681 5.617,682 6.535,683 7.434,684 8.36,685 9.27,686 10.198,687 11.114,688 12.043,689 14.3,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,733 16,734 1,735 23,736 1,737 37,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,781 14,782 5,783 3,784 7,785 1,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,843 1,844 2,848 21,849 1,853 1,858 1,869 1,870 2.9,872 1,877 11.5,878 6.893,879 4.5,880 2.026,881 3.148,882 1.459,883 0.973,884 3.593,885 10.011,886 3.466,887 4.171,888 4.847,889 5.549,890 6.123,891 6.533,892 6.949,893 7.382,894 7.603,895 7.88,896 1,897 35,898 7.701,900 3.283,901 7.821,902 14.481,904 11.808,905 2.321,906 48.75,910 129.482,911 70.311,912 130.862,914 42.683,917 116.265,918 172.165,919 84.908,920 17.65,922 61.326,923 106.404,924 21.966,925 2.328,926 117.711,927 45.954,928 129.482,929 155.219,930 42.683,932 45.954,933 58.856,934 113.31,937 32.518,938 72.467,939 50.234,940 45.954,941 129.482,942 127.591,943 116.265,946 129.482,947 15.614,948 56.474,949 45.954,950 125.815,951 129.482,952 127.591,953 116.265,955 0.596,956 0.347,957 0.203,958 0.117,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.135,966 171.304,967 0.133,968 15,969 90.239,974 14.295,975 5.279,976 2.494,977 1.385,978 125.815,979 6.563,980 12.944,984 2.713,985 1.806,986 75.581,987 373.339,988 31,999 35.483,1000 39.619,1001 0.342,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.718,1008 1.027,1009 5.645,1010 3.878,1011 4.234,1012 4.856,1014 6.526,1015 4.11,1016 5.979,1017 0.787,1018 7.249,1019 2.729,1020 4.007,1021 4.856,1023 7.561,1024 3.806,1025 7.323,1026 -0.284,1027 8.952,1028 2.008,1029 5.889,1030 7.194,1032 10.716,1033 5.679,1034 8.705,1035 -0.347,1036 10.713,1037 -0.669,1038 6.431,1039 8.006,1041 12.6,1042 6.172,1043 10.119,1044 -0.449,1045 12.512,1046 -0.891,1047 7.859,1048 9.862,1050 15.303,1051 7.582,1052 11.559,1053 -0.741,1054 14.339,1055 -1.16,1056 8.757,1057 11.069,1059 17.549,1060 8.441,1061 13.019,1062 -0.949,1063 16.187,1064 -2,1065 10.019,1066 12.731,1068 20.102,1069 9.679,1070 3.339,1071 -1,1072 18.053,1073 -2.053,1074 11.081,1075 14.126,1077 22.495,1078 10.704,1079 2.779,1080 12.09,1081 19.932,1082 -2.7,1083 12.287,1084 15.712,1086 25.002,1087 11.881,1088 2.509,1089 8.966,1090 21.823,1091 4.732,1092 13.422,1093 17.192,1095 27.454,1096 12.981,1097 2.197,1098 7.831,1099 23.724,1100 3.829,1101 14.614,1102 18.751,1104 29.947,1105 14.141,1106 1.879,1107 6.461,1108 25.632,1109 3.205,1110 15.783,1111 20.27,1113 32.422,1114 15.275,1115 1.741,1116 4.963,1117 27.546,1118 2.946,1119 16.974,1120 21.821,1122 34.913,1123 16.432,1124 1.443,1125 4.817,1126 29.467,1127 2.481,1128 18.158,1129 23.358,1131 37.398,1132 17.581,1133 3628,1134 6680,1135 14.74,1136 24.642,1137 35.871,1138 35.528,1139 37.595,1140 35.625,1141 35.403,1142 47.89,1144 107.484,1145 32.902,1146 5.43,1147 5.381,1148 6.567,1149 5.374,1150 5.339,1151 7.732,1153 19.563,1154 5.216,1155 12.187,1156 1.56,1157 1.545,1158 1.635,1159 1.549,1160 1.539,1161 2.082,1163 4.673,1164 1.431,1165 4.132,1166 4.178,1167 6.88,1168 4.001,1169 6.471,1170 4.018,1171 3.837,1172 3.859,1173 4.107,1174 3.759,1175 5.254,1176 3.757,1177 3.576,1178 3.654,1179 3.705,1180 3.407,1181 4.873,1182 3.399,1183 3.207,1184 3.287,1185 3.445,1186 3.012,1187 4.617,1188 3.022,1189 3.004,1190 3.112,1191 3.109,1192 2.858,1193 4.453,1194 2.815,1195 2.944,1196 3.009,1197 2.884,1198 2.695,1199 4.073,1200 2.733,1201 2.874,1202 2.962,1203 2.728,1204 2.618,1205 3.737,1206 2.601,1207 2.767,1208 2.83,1209 2.499,1210 2.598,1211 3.605,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.381,1222 7.04,1223 0.526,1224 4.302,1225 0.14,1226 3.339,1227 4.732,1229 12.09,1230 3.216,1231 1.925,1232 1.908,1233 1.97,1234 2.034,1235 1.154,1236 2.014,1237 1.794,1238 1.748,1239 1.939,1240 1.968,1241 1.112,1242 1.963,1243 1.609,1244 1.547,1245 1.762,1246 1.803,1247 0.831,1248 1.805,1249 1.145,1250 1.089,1251 1.417,1252 1.404,1253 0.469,1254 1.375,1255 0.934,1256 0.848,1257 1.26,1258 1.239,1259 0.284,1260 1.308,1261 0.879,1262 0.804,1263 1.155,1264 1.229,1265 0.11,1266 1.214,1267 0.869,1268 0.784,1269 1.027,1270 1.094,1271 0.04,1272 1.081,1273 0.761,1274 0.67,1275 0.99,1276 1.038,1278 1.045,1279 3.85,1281 5.209,1282 2.398,1283 6.76,1284 4.844,1285 8.407,1286 7.081,1287 10.106,1288 3.371,1289 4.041,1293 6.005,1294 9.785,1299 0.135,1305 23.481,1306 61.309,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 32.055,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.804,1321 55,1322 48,1323 0.294,1324 152.273,1325 245.57,1326 363.306,1327 7124,1328 2.9,1329 15.146,1330 0.721,1331 0.627,1332 16.146,1333 13.164,1334 9.969,1335 0.433,1336 0.315,1337 6.412,1338 9.001,1339 6.154,1340 5.133,1341 10.547,1342 7.25,1343 9.634,1344 0.283,1345 0.175,1346 10.451,1347 5.958,1348 7.614,1349 0.166,1350 0.079,1351 8.085,1352 3.621,1353 7,1354 0.106,1355 0.042,1356 7.705,1357 2.75,1358 5.497,1359 0.065,1360 0.021,1361 5.864,1362 1.75,1363 0.432,1364 70.907,1365 0.26,1366 19.994,1367 0.906,1368 114,1369 336.697,1370 191.411,1371 369.097,1372 500.53,1373 342,1374 137,1375 358.057,1376 177.555,1377 375.025,1378 550.57,1379 352,1380 6.096}
{0 CHEMBL1242286,1 1.757,2 8.792,3 3.01,4 9.057,5 96.502,6 9.34,7 0.615,8 3.858,9 3.976,10 3.617,11 3.35,12 5.007,13 3.346,14 4.375,15 4.548,16 4.028,17 3.719,18 5.478,19 3.701,20 4.489,21 4.662,22 4.224,23 3.858,24 5.599,25 3.823,26 4.634,27 4.848,28 4.112,29 3.899,30 5.719,31 3.839,32 4.572,33 4.762,34 4.07,35 3.88,36 5.632,37 3.812,38 4.55,39 4.732,40 4.107,41 3.872,42 5.646,43 3.786,44 4.671,45 4.92,46 3.981,47 3.813,48 5.681,49 3.654,50 4.473,51 4.749,52 3.955,53 3.511,54 5.352,55 3.357,56 0.096,57 0.642,58 6.241,59 3.556,60 9.669,61 4.366,62 0.463,63 0.967,64 16.72,65 5.956,66 29.22,67 7.282,68 0.318,69 1.127,70 22.951,71 6.774,72 21.055,73 8.393,74 0.489,75 1.221,76 29.976,77 8.012,78 38.528,79 10.159,80 0.429,81 1.164,82 27.563,83 7.386,84 29.733,85 9.277,86 0.294,87 1.142,88 18.478,89 7.37,90 25.92,91 9.624,92 0.603,93 1.098,94 39.396,95 8.969,96 52.885,97 11.821,98 0.433,99 0.802,100 31.451,101 7.569,102 32.345,103 10.437,104 32,105 37,106 0.308,107 0.688,108 0.816,109 0.836,110 0.836,111 0.836,112 3.23,113 0.949,114 -4.9,115 -4.81,116 -4.51,117 1,119 38.1,120 2,124 1,126 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 3,175 8,177 1,178 1,180 1,183 5,185 1,186 1,187 8,195 5,198 2,199 9,201 3,202 3,204 1,207 4,209 1,211 1,212 9,217 2,220 2,222 2,223 1,224 6,229 3,232 5,234 3,236 3,237 2,239 1,240 1,245 2,249 1,250 4,255 1,260 1,262 2,265 1,266 1,271 2,275 802,276 16.06,277 16.06,278 16.06,279 16.06,280 16.06,281 14.177,282 15.723,283 9.474,284 16.568,285 12.776,286 12.776,287 12.776,288 12.776,289 12.776,290 9.855,291 12.836,292 4.407,293 13.675,294 3.635,295 1.471,296 0.739,297 0.625,298 0.625,299 0.625,300 3.906,304 1,305 1,306 443,307 3.162,310 47.957,311 130.681,314 91.493,318 1.326,319 21.215,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.25,331 211,332 4.76,333 3.387,334 7.039,335 4.301,336 3.338,337 4.732,338 1.392,339 12.087,340 3.216,341 4.243,342 3.234,343 6.205,344 3.797,345 2.867,346 3.9,347 0.532,348 9.14,349 2.661,350 3.818,351 2.687,352 6.01,353 3.486,354 2.542,355 3.216,357 8.364,358 2.387,359 3.692,360 2.469,361 5.69,362 3.278,363 2.34,364 3.097,366 7.369,367 2.152,368 3.032,369 2.436,370 4.819,371 2.684,372 1.743,373 2.251,375 4.818,376 1.637,377 2.989,378 1.867,379 4.469,380 2.606,381 1.682,382 2.128,384 4.123,385 1.529,386 2.918,387 1.818,388 4.254,389 2.428,390 1.506,391 2.051,393 4.043,394 1.35,395 2.521,396 1.54,397 3.862,398 2.224,399 1.27,400 1.531,402 2.761,403 1.192,404 2.434,405 1.091,406 3.491,407 2.002,408 1.062,409 1.429,411 2.498,412 0.987,413 2.127,414 0.919,415 3.418,416 1.771,417 0.815,418 1.033,420 2.05,421 0.768,422 1.536,423 0.865,424 2.751,425 1.259,426 0.377,427 0.422,428 0.68,429 0.31,430 1.107,431 0.489,432 2.596,433 0.737,434 -0.113,435 -0.13,436 -0.22,437 -0.074,438 1.046,439 -0.149,440 2.425,441 0.594,442 -0.304,443 -0.388,445 -0.7,446 -0.271,447 0.669,448 -0.235,449 2.257,450 0.26,451 -0.683,452 -0.842,454 -1.625,455 -0.632,456 0.604,457 -0.708,458 2.192,459 0.102,460 -0.82,461 -1,463 -2,464 -0.687,465 12,466 0.5,467 0.648,468 0.027,469 31,470 1.292,471 15,472 0.625,473 16,474 0.667,475 21.402,476 0.892,477 25.8,478 0.614,479 21.229,480 0.885,481 5.959,482 0.248,483 5.565,484 0.232,485 0.269,487 0.367,493 0.891,494 1.379,495 0.497,496 0.948,497 1.045,498 0.913,499 1.169,500 0.912,501 0.564,502 0.592,503 0.882,504 0.639,505 0.942,506 1.283,507 0.916,508 1.008,509 0.783,510 0.92,511 1.012,512 0.903,513 0.885,514 0.84,515 0.981,516 0.849,517 1.027,518 1.116,519 0.963,520 1.072,521 0.989,522 1.091,523 0.824,524 1.396,525 0.719,526 1.158,527 1.045,528 1.244,529 0.807,530 0.911,531 1.213,532 1.12,533 1.246,534 1.157,535 0.745,536 0.937,537 0.811,538 0.965,539 0.63,540 0.896,541 4.5,542 0.054,543 3.111,544 2.167,545 1.927,546 0.973,547 0.626,548 0.486,549 0.265,550 0.126,551 5395,552 17136,553 2.015,554 42.9,556 7,557 2,558 1,559 2,561 6,564 1.676,565 1.846,566 3.111,567 0.378,568 1,569 1,573 73.809,574 1.757,575 3.921,576 4.654,577 4.767,578 4.767,579 4.767,580 2.534,581 4.335,582 4.553,583 3.242,584 894.732,585 7.896,586 10178.4,588 1,590 1,591 226.477,592 1.528,593 4.493,594 0.173,595 0.008,596 0.084,597 0.054,598 0.049,599 0.028,600 0.019,601 0.02,602 0.014,603 0.01,604 0.459,605 0.17,606 1,607 1.343,608 111.712,609 -0.038,610 -0.162,611 0.005,612 -0.08,613 -0.171,614 -0.025,615 0.019,616 0.162,617 0.06,618 0.28,619 0.081,620 0.259,621 -0.055,622 -0.154,623 0.013,624 -0.053,625 0.05,626 0.005,627 -0.052,628 0.151,629 -0.032,630 0.079,631 0.022,632 0.084,633 -0.126,634 -0.022,635 -0.088,636 -0.134,637 -0.11,638 -0.162,639 -0.034,640 -0.31,641 -0.01,642 -0.245,643 -0.094,644 -0.303,645 0.086,646 0.031,647 -0.065,648 -0.103,649 -0.143,650 -0.155,651 0.218,652 -0.143,653 0.197,654 0.044,655 0.263,656 0.162,657 1.339,658 2.091,659 0.625,660 18.583,661 1.014,662 1.135,663 3.674,664 13.496,665 0.681,666 3.296,667 3.638,668 3.951,669 4.263,670 4.533,671 4.663,672 4.745,673 4.868,674 4.868,675 4.812,676 5.292,677 0.649,678 392.29,679 3.296,680 4.844,681 5.714,682 6.616,683 7.517,684 8.431,685 9.343,686 10.263,687 11.181,688 12.103,689 11.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 1,730 1,731 42,733 16,734 1,735 26,736 1,737 44,738 16,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 5,778 1,781 18,782 6,783 2,784 8,785 1,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,839 1,840 2,843 1,844 3,848 24,849 1,854 1,856 2,858 1,869 1,870 4.8,874 1,875 1,877 13,878 8.526,879 5.361,880 2.358,881 3.177,882 1.445,883 0.967,884 5.037,885 10.313,886 3.555,887 4.216,888 4.897,889 5.57,890 6.161,891 6.571,892 7.004,893 7.459,894 7.724,895 7.991,896 0.833,897 40,898 8.796,900 3.625,901 7.719,902 16.666,904 13.161,905 2.219,906 53.25,909 1,910 188.338,911 93.088,912 130.862,914 22,917 139.042,918 210.337,919 84.908,920 28.533,921 6.65,922 61.326,923 74.72,924 38.209,925 25.87,926 153.024,927 45.954,928 188.338,929 177.996,930 22,932 45.954,933 117.711,934 81.626,935 11,937 39.168,938 88.594,939 50.234,940 45.954,941 188.338,942 106.908,943 139.042,946 188.338,947 27.507,948 67.357,949 45.954,950 105.131,951 188.338,952 106.908,953 139.042,955 0.58,956 0.346,957 0.194,958 0.117,959 18,960 9,961 0.114,962 5,963 1,964 1.133,965 3.435,966 201.089,967 0.133,968 15,969 108.039,974 17.145,975 7.051,976 3.277,977 1.459,978 105.131,979 7.196,980 13.159,984 3.503,985 1.848,986 32.897,987 434.287,988 34,999 42.578,1000 47.658,1001 0.326,1002 0.727,1003 0.863,1004 0.884,1005 0.884,1006 0.884,1007 4.796,1008 1.27,1009 5.72,1010 4.043,1011 4.317,1012 4.902,1013 1.693,1014 6.592,1015 4.191,1016 6.031,1017 1.062,1018 7.319,1019 2.761,1020 4.007,1021 4.856,1023 7.633,1024 3.806,1025 7.365,1026 0.815,1027 9.023,1028 2.498,1029 5.958,1030 7.22,1031 2.158,1032 10.784,1033 5.736,1034 8.743,1035 0.377,1036 10.788,1037 2.05,1038 6.479,1039 8.036,1041 12.674,1042 6.195,1043 10.157,1044 -0.113,1045 12.592,1046 0.68,1047 7.928,1048 9.89,1049 2.745,1050 15.362,1051 7.623,1052 11.599,1053 -0.304,1054 14.423,1055 -0.22,1056 8.819,1057 11.102,1059 17.6,1060 8.467,1061 13.061,1062 -0.683,1063 16.274,1064 -0.7,1065 10.087,1066 12.759,1067 3.372,1068 20.142,1069 9.709,1070 3.338,1071 -0.82,1072 18.139,1073 -1.625,1074 11.143,1075 14.154,1077 22.527,1078 10.726,1079 2.867,1080 12.087,1081 20.017,1082 -2,1083 12.349,1084 15.736,1085 4.015,1086 25.025,1087 11.903,1088 2.542,1089 9.14,1090 21.905,1091 4.732,1092 13.478,1093 17.214,1095 27.471,1096 12.999,1097 2.34,1098 8.364,1099 23.801,1100 3.9,1101 14.667,1102 18.771,1103 4.667,1104 29.959,1105 14.157,1106 1.743,1107 7.369,1108 25.704,1109 3.216,1110 15.83,1111 20.287,1113 32.431,1114 15.288,1115 1.682,1116 4.818,1117 27.613,1118 3.097,1119 17.017,1120 21.836,1121 5.323,1122 34.918,1123 16.444,1124 1.506,1125 4.123,1126 29.527,1127 2.251,1128 18.197,1129 23.37,1131 37.401,1132 17.591,1133 5444,1134 9826,1135 16.819,1136 28.62,1137 39.371,1138 40.325,1139 41.592,1140 39.278,1141 39.085,1142 51.579,1143 3.846,1144 115.866,1145 36.377,1146 5.557,1147 5.387,1148 6.9,1149 5.374,1150 5.338,1151 7.732,1152 2.783,1153 19.553,1154 5.216,1155 13.717,1156 1.514,1157 1.551,1158 1.6,1159 1.511,1160 1.503,1161 1.984,1162 0.148,1163 4.456,1164 1.399,1165 4.133,1166 4.179,1167 6.88,1168 4.001,1169 5.257,1170 4.019,1171 3.847,1172 3.867,1173 4.109,1174 3.764,1175 4.915,1176 3.763,1177 3.577,1178 3.654,1179 3.713,1180 3.407,1181 4.828,1182 3.4,1183 3.437,1184 3.475,1185 3.445,1186 3.115,1187 4.61,1188 3.149,1189 3.2,1190 3.28,1191 3.296,1192 3.023,1193 4.477,1194 3.02,1195 3.011,1196 3.114,1197 3.065,1198 2.765,1199 4.131,1200 2.763,1201 2.98,1202 3.058,1203 2.874,1204 2.729,1205 4.049,1206 2.74,1207 2.874,1208 3.009,1209 2.8,1210 2.65,1211 3.74,1212 2.64,1213 0.183,1214 0.13,1215 0.271,1216 0.165,1217 0.128,1218 4.76,1219 0.182,1220 3.387,1221 0.054,1222 7.039,1223 0.465,1224 4.301,1225 0.124,1226 3.338,1227 4.732,1228 1.392,1229 12.087,1230 3.216,1231 1.927,1232 1.911,1233 1.975,1234 2.035,1235 1.156,1236 2.015,1237 1.795,1238 1.749,1239 1.941,1240 1.973,1241 1.12,1242 1.966,1243 1.611,1244 1.548,1245 1.763,1246 1.809,1247 0.838,1248 1.808,1249 1.319,1250 1.27,1251 1.64,1252 1.663,1253 0.667,1254 1.652,1255 1.138,1256 1.084,1257 1.417,1258 1.396,1259 0.469,1260 1.371,1261 0.961,1262 0.889,1263 1.334,1264 1.269,1265 0.463,1266 1.308,1267 0.934,1268 0.804,1269 1.241,1270 1.239,1271 0.274,1272 1.288,1273 0.877,1274 0.786,1275 1.138,1276 1.195,1277 0.14,1278 1.19,1279 3.97,1281 5.303,1282 2.398,1283 6.841,1284 4.844,1285 8.478,1286 7.081,1287 10.171,1288 3.47,1289 5.667,1293 6.091,1295 0.161,1297 10.547,1299 0.148,1305 27.249,1306 73.809,1307 164.703,1308 195.458,1309 200.213,1310 200.213,1311 200.213,1312 34.812,1313 7.136,1314 88.08,1315 88.08,1316 17,1317 12.611,1318 4.087,1319 3.17,1320 38.986,1321 74,1322 94,1323 0.263,1324 175.454,1325 288.96,1326 419.867,1327 10353,1328 2.4,1329 17.267,1330 0.719,1331 0.635,1332 18.267,1333 15.241,1334 11.524,1335 0.443,1336 0.316,1337 7.318,1338 10.378,1339 7.001,1340 5.872,1341 12.101,1342 8.222,1343 10.41,1344 0.281,1345 0.173,1346 11.151,1347 6.395,1348 8.73,1349 0.171,1350 0.082,1351 9.49,1352 4.199,1353 7.35,1354 0.105,1355 0.04,1356 7.82,1357 2.802,1358 6.218,1359 0.068,1360 0.022,1361 6.724,1362 2.004,1363 0.397,1364 81.774,1365 0.244,1366 22.845,1367 0.771,1368 126,1369 404.018,1370 207.285,1371 421.161,1372 569.07,1373 394,1374 151,1375 398.208,1376 203.072,1377 416.853,1378 613,1379 387,1380 5.77}
{0 CHEMBL1242287,1 1.739,2 7.773,3 3.127,4 9.776,5 88.525,6 10.007,7 0.64,8 3.736,9 3.853,10 3.553,11 3.311,12 4.893,13 3.301,14 4.224,15 4.382,16 3.973,17 3.701,18 5.335,19 3.664,20 4.441,21 4.64,22 4.164,23 3.783,24 5.563,25 3.738,26 4.428,27 4.629,28 3.925,29 3.747,30 5.579,31 3.699,32 4.38,33 4.58,34 3.79,35 3.705,36 5.475,37 3.654,38 4.363,39 4.552,40 3.899,41 3.694,42 5.482,43 3.625,44 4.42,45 4.658,46 3.854,47 3.618,48 5.534,49 3.478,50 4.257,51 4.541,52 3.766,53 3.31,54 5.219,55 3.114,56 0.1,57 0.588,58 4.247,59 2.928,60 11.411,61 3.391,62 0.176,63 0.927,64 9.393,65 5.163,66 16.759,67 6.303,68 0.315,69 1.067,70 22.983,71 6.747,72 29.382,73 7.981,74 0.376,75 1.086,76 26.061,77 6.383,78 33.035,79 7.481,80 0.313,81 1.029,82 11.945,83 5.294,84 30.249,85 6.574,86 0.271,87 0.993,88 12.334,89 5.526,90 25.701,91 6.875,92 0.403,93 0.932,94 19.22,95 6.79,96 51.03,97 8.774,98 0.368,99 0.671,100 26.078,101 6.57,102 44.028,103 8.478,104 10,105 37,106 0.313,107 0.725,108 0.809,109 0.861,110 0.861,111 0.861,112 3.149,113 0.95,114 -5.02,115 -4.92,116 -4.61,117 1,119 41.7,121 3,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 2,183 5,185 1,186 1,187 6,192 3,195 5,198 2,199 8,201 3,202 3,204 2,207 4,209 1,212 6,215 1,217 3,220 3,222 2,224 5,227 1,229 3,232 6,234 3,237 2,240 2,241 1,242 1,244 1,245 4,247 1,250 2,255 3,258 1,260 1,268 1,271 2,275 604,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.995,282 12.041,283 8.539,284 15.345,285 12.321,286 12.321,287 12.321,288 12.321,289 12.321,290 9.401,291 8.742,292 4.025,293 13.104,294 3.431,295 1.143,296 0.674,297 0.389,298 0.389,299 0.389,300 3.838,303 1,304 1,305 1,306 378,307 2.121,309 40.578,310 41.015,311 111.803,314 78.94,318 1.087,319 21.424,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.25,331 171,332 4.764,333 3.396,334 7.051,335 4.312,336 3.35,337 4.733,339 12.147,340 3.225,341 4.219,342 3.158,343 6.266,344 3.794,345 2.848,346 3.88,348 9.331,349 2.7,350 3.891,351 2.808,352 5.973,353 3.62,354 2.67,355 3.249,357 8.332,358 2.521,359 3.681,360 2.451,361 5.682,362 3.252,363 2.324,364 3.086,366 7.322,367 2.095,368 3.255,369 2.043,370 5.096,371 2.943,372 1.994,373 2.39,375 5.746,376 1.888,377 2.996,378 1.861,379 4.469,380 2.444,381 1.512,382 2.232,384 4.137,385 1.405,386 2.82,387 1.533,388 4.246,389 2.341,390 1.414,391 1.948,393 3.514,394 1.257,395 2.613,396 1.296,397 4.038,398 2.194,399 1.235,400 1.656,402 3.474,403 1.181,404 2.407,405 1.074,406 3.653,407 1.935,408 1.011,409 1.376,411 2.499,412 0.915,413 1.441,414 0.588,415 2.974,416 1.294,417 0.316,418 0.348,420 0.782,421 0.306,422 1.366,423 0.347,424 2.736,425 1,426 0.1,427 0.121,428 0.222,429 0.062,430 1.041,432 2.618,433 0.906,438 1,439 -0.168,440 2.417,441 0.604,442 -0.307,443 -0.39,445 -0.714,446 -0.279,447 0.78,448 -0.295,449 2.375,450 0.349,451 -0.595,452 -0.771,454 -1.604,455 -0.525,456 0.599,457 -0.719,458 2.241,459 0.085,460 -0.835,461 -1.142,463 -2.341,464 -0.689,465 11.167,466 0.508,467 0.61,468 0.028,469 29.75,470 1.352,471 15,472 0.682,473 14.75,474 0.67,475 17.933,476 0.815,477 22.433,478 0.623,479 18.485,480 0.84,481 5.249,482 0.239,483 5.398,484 0.245,485 0.185,487 0.394,493 0.915,494 1.132,495 0.475,496 0.72,497 1,498 0.749,499 0.684,500 1.142,501 0.547,502 0.837,503 0.536,504 0.874,505 0.949,506 1.16,507 0.826,508 0.901,509 0.778,510 0.819,511 1.035,512 0.959,513 1.001,514 0.952,515 0.89,516 0.93,517 1.104,518 1.062,519 0.391,520 0.746,521 0.894,522 0.949,523 0.942,524 1.239,525 0.562,526 1.006,527 1.041,528 1.147,529 0.758,530 0.984,531 0.697,532 0.985,533 0.917,534 1.152,535 0.995,536 0.748,537 0.911,538 0.963,539 1.295,540 0.976,541 4,542 0.012,543 3,544 1.917,545 1.669,546 0.705,547 0.505,548 0.376,549 0.16,550 0.061,551 4612,552 13937,553 2.148,554 38.9,555 2,556 4,558 1,559 3,561 4,564 1.653,565 2,566 2.955,567 1.114,568 1,569 1,573 62.601,574 1.739,575 4.027,576 4.496,577 4.781,578 4.781,579 4.781,580 2.392,581 4.369,582 4.43,583 3.05,584 704.529,585 7.653,586 7446.13,587 1,588 1,589 1,590 1,591 186.117,592 1.437,593 4.388,594 0.16,595 0.012,596 0.086,597 0.052,598 0.048,599 0.023,600 0.017,601 0.018,602 0.013,603 0.012,604 0.441,605 0.33,606 1,607 0.595,608 98.167,609 -0.094,610 0.019,611 -0.005,612 0.066,613 -0.141,614 0.063,615 0.08,616 -0.047,617 0.028,618 -0.011,619 0.114,620 -0.003,621 0.012,622 -0.145,623 0.047,624 0.022,625 0.092,626 0.114,627 -0.048,628 0.115,629 -0.123,630 -0.058,631 -0.022,632 -0.04,633 -0.198,634 0.019,635 -0.031,636 -0.004,637 -0.083,638 -0.097,639 -0.072,640 -0.184,641 -0.019,642 -0.196,643 -0.136,644 -0.268,645 0.167,646 -0.052,647 0.044,648 -0.074,649 0.107,650 -0.163,651 0.095,652 0.024,653 0.169,654 0.107,655 -0.028,656 0.15,657 1.501,658 3.932,659 0.864,660 15.182,661 1.013,662 1.128,663 3.786,664 14.337,665 0.712,666 3.258,667 3.638,668 3.989,669 4.263,670 4.554,671 4.718,672 4.868,673 4.99,674 4.956,675 4.875,676 4.735,677 0.68,678 360.24,679 3.258,680 4.828,681 5.72,682 6.635,683 7.548,684 8.471,685 9.393,686 10.32,687 11.246,688 12.176,689 13.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 36,733 16,734 1,735 25,736 1,737 39,738 15,739 11,740 3,741 3,746 4,747 5,755 4,758 4,761 11,762 4,777 1,778 1,781 14,782 5,783 3,784 7,785 1,790 5,794 0.75,795 1,803 1,806 1,810 1,811 1,812 2,815 1,840 3,843 1,848 22,849 1,853 1,854 3,858 1,869 1,870 2.8,872 1,877 11,878 6.393,879 4.694,880 2.199,881 3.095,882 1.433,883 1.015,884 3.312,885 10.248,886 3.526,887 4.216,888 4.904,889 5.562,890 6.164,891 6.589,892 7.046,893 7.501,894 7.759,895 8.014,896 1,897 37,898 8.108,900 3.579,901 7.739,902 15.517,904 13.336,905 2.239,906 49.25,910 129.482,911 60.265,912 130.862,914 42.683,917 106.219,918 172.165,919 84.908,921 7.604,922 61.326,923 106.404,924 21.966,925 2.328,926 117.711,927 45.954,928 129.482,929 145.172,930 42.683,932 45.954,933 82.398,934 89.768,937 22.471,938 72.467,939 50.234,940 45.954,941 129.482,942 127.591,943 106.219,946 129.482,947 23.217,948 38.824,949 45.954,950 125.815,951 129.482,952 127.591,953 106.219,955 0.596,956 0.364,957 0.188,958 0.109,959 21,960 9,961 0.051,962 2,963 1,964 1.105,965 3.378,966 188.186,967 0.105,968 19,969 96.107,974 13.976,975 5.214,976 2.216,977 1.505,978 125.815,979 6.822,980 13.181,984 2.725,985 1.95,986 75.581,987 363.292,988 33,999 36.483,1000 40.619,1001 0.336,1002 0.779,1003 0.87,1004 0.925,1005 0.925,1006 0.925,1007 4.787,1008 1.235,1009 5.733,1010 3.514,1011 4.317,1012 4.902,1014 6.619,1015 4.203,1016 6.028,1017 1.011,1018 7.339,1019 3.474,1020 4.007,1021 4.856,1023 7.656,1024 3.806,1025 7.374,1026 0.316,1027 9.047,1028 2.499,1029 5.999,1030 7.228,1032 10.823,1033 5.802,1034 8.758,1035 0.1,1036 10.815,1037 0.782,1038 6.509,1039 8.038,1041 12.71,1042 6.236,1043 10.175,1045 12.62,1046 0.222,1047 7.979,1048 9.892,1050 15.404,1051 7.704,1052 11.617,1053 -0.307,1054 14.452,1056 8.86,1057 11.101,1059 17.644,1060 8.525,1061 13.078,1062 -0.595,1063 16.303,1064 -0.714,1065 10.137,1066 12.758,1068 20.191,1069 9.788,1070 3.35,1071 -0.835,1072 18.169,1073 -1.604,1074 11.187,1075 14.152,1077 22.579,1078 10.791,1079 2.848,1080 12.147,1081 20.047,1082 -2.341,1083 12.397,1084 15.734,1086 25.082,1087 11.977,1088 2.67,1089 9.331,1090 21.935,1091 4.733,1092 13.524,1093 17.212,1095 27.531,1096 13.064,1097 2.324,1098 8.332,1099 23.832,1100 3.88,1101 14.715,1102 18.769,1104 30.024,1105 14.227,1106 1.994,1107 7.322,1108 25.736,1109 3.249,1110 15.878,1111 20.286,1113 32.499,1114 15.353,1115 1.512,1116 5.746,1117 27.646,1118 3.086,1119 17.068,1120 21.835,1122 34.991,1123 16.51,1124 1.414,1125 4.137,1126 29.561,1127 2.39,1128 18.249,1129 23.37,1131 37.478,1132 17.656,1133 4399,1134 7772,1135 16.819,1136 25.642,1137 37.867,1138 38.349,1139 39.693,1140 37.755,1141 37.548,1142 50.037,1144 115.014,1145 35.111,1146 5.764,1147 5.396,1148 6.669,1149 5.385,1150 5.35,1151 7.733,1153 19.676,1154 5.225,1155 9.835,1156 1.515,1157 1.534,1158 1.588,1159 1.51,1160 1.502,1161 2.001,1163 4.601,1164 1.404,1165 4.148,1166 4.196,1167 6.88,1168 4.012,1169 6.469,1170 4.031,1171 3.862,1172 3.891,1173 4.12,1174 3.793,1175 5.254,1176 3.783,1177 3.763,1178 3.811,1179 3.72,1180 3.648,1181 4.872,1182 3.643,1183 3.259,1184 3.344,1185 3.643,1186 3.046,1187 4.618,1188 3.056,1189 3.022,1190 3.116,1191 3.177,1192 2.794,1193 4.454,1194 2.806,1195 2.931,1196 2.971,1197 2.905,1198 2.746,1199 4.15,1200 2.748,1201 2.8,1202 2.857,1203 2.804,1204 2.651,1205 3.752,1206 2.642,1207 2.524,1208 2.66,1209 2.546,1210 2.274,1211 3.59,1212 2.228,1213 0.191,1214 0.136,1215 0.282,1216 0.172,1217 0.134,1218 4.764,1219 0.189,1220 3.396,1222 7.051,1223 0.486,1224 4.312,1225 0.129,1226 3.35,1227 4.733,1229 12.147,1230 3.225,1231 1.931,1232 1.91,1233 2.096,1234 2.088,1235 1.491,1236 2.087,1237 1.899,1238 1.851,1239 1.969,1240 2.001,1241 1.123,1242 1.999,1243 1.714,1244 1.675,1245 1.782,1246 1.871,1247 0.861,1248 1.861,1249 1.2,1250 1.144,1251 1.282,1252 1.477,1253 0.398,1254 1.431,1255 0.913,1256 0.844,1257 1.148,1258 1.22,1259 0.325,1260 1.203,1261 0.883,1262 0.835,1263 1.109,1264 1.141,1265 0.197,1266 1.131,1267 0.792,1268 0.691,1269 1.079,1270 1.088,1271 0.125,1272 1.093,1273 0.585,1274 0.494,1275 1.064,1276 0.895,1278 0.967,1279 3.932,1281 5.333,1282 2.398,1283 6.913,1284 4.844,1285 8.575,1286 7.081,1287 10.28,1288 3.29,1293 6.059,1294 9.932,1295 3.415,1299 0.37,1305 24.481,1306 62.601,1307 144.956,1308 161.853,1309 172.117,1310 172.117,1311 172.117,1312 31.355,1313 7.153,1314 89.85,1315 89.85,1316 21,1317 12.679,1318 4.087,1319 3.17,1320 29.624,1321 61,1322 64,1323 0.243,1324 154.472,1325 250.51,1326 368.671,1327 10300,1328 2.8,1329 15.267,1330 0.694,1331 0.604,1332 16.267,1333 13.285,1334 10.648,1335 0.426,1336 0.317,1337 7.079,1338 9.73,1339 6.928,1340 5.68,1341 11.225,1342 7.918,1343 9.931,1344 0.268,1345 0.172,1346 10.673,1347 6.356,1348 8.937,1349 0.169,1350 0.091,1351 9.794,1352 4.829,1353 7.058,1354 0.101,1355 0.04,1356 7.361,1357 2.786,1358 6.013,1359 0.064,1360 0.022,1361 6.402,1362 2.048,1363 0.361,1364 74.979,1365 0.244,1366 21.017,1367 0.735,1368 124,1369 346.697,1370 201.411,1371 378.247,1372 517.53,1373 352,1374 152,1375 373.057,1376 200.751,1377 388.855,1378 576.94,1379 367,1380 7.119}
{0 CHEMBL1242288,1 1.664,2 8.625,3 0.929,4 0.862,5 90.845,6 7.771,7 0.593,8 3.884,9 4.012,10 3.484,11 3.34,12 5.045,13 3.359,14 4.404,15 4.58,16 3.859,17 3.745,18 5.495,19 3.748,20 4.611,21 4.816,22 3.923,23 3.847,24 5.712,25 3.825,26 4.645,27 4.864,28 3.924,29 3.851,30 5.775,31 3.828,32 4.621,33 4.831,34 3.805,35 3.851,36 5.713,37 3.801,38 4.576,39 4.794,40 3.759,41 3.794,42 5.638,43 3.736,44 4.58,45 4.812,46 3.642,47 3.691,48 5.726,49 3.611,50 4.524,51 4.804,52 3.262,53 3.459,54 5.517,55 3.335,56 0.124,57 0.686,58 8.492,59 3.264,60 12.746,61 4.329,62 0.308,63 1.07,64 16.121,65 5.412,66 23.995,67 7.477,68 0.442,69 1.224,70 21.061,71 6.503,72 35.609,73 9.546,74 0.493,75 1.254,76 22.397,77 6.646,78 41.08,79 9.662,80 0.444,81 1.225,82 21.281,83 6.418,84 44.216,85 9.426,86 0.364,87 1.151,88 20.387,89 6.467,90 31.861,91 9.716,92 0.496,93 1.063,94 21.35,95 6.491,96 54.837,97 9.786,98 0.55,99 0.838,100 22.86,101 6.101,102 55.189,103 9.421,104 11,105 39,106 0.291,107 0.706,108 0.852,109 0.888,110 0.888,111 0.888,112 3.23,113 0.862,114 -3.39,115 -3.37,116 -3.22,119 38.1,121 1,124 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 3,183 3,185 1,186 1,187 6,190 2,192 2,195 3,198 2,199 7,201 3,202 4,204 2,207 2,209 1,212 5,215 2,217 4,220 1,222 2,223 1,224 4,227 1,229 3,232 2,234 2,236 1,240 3,241 2,242 2,244 2,245 1,249 2,252 1,253 1,255 2,263 1,267 1,275 780,276 16.508,277 16.508,278 16.508,279 16.508,280 16.508,281 14.624,282 18.843,283 9.557,284 17.024,285 13.259,286 13.259,287 13.259,288 13.259,289 13.259,290 10.328,291 20.828,292 4.417,293 14.013,294 3.728,295 1.351,296 0.512,297 0.304,298 0.304,299 0.304,300 3.925,304 1,305 1,306 454,307 2.345,310 98.979,311 124.642,314 88.212,318 1.24,319 25.66,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 207,332 4.764,333 3.394,334 7.05,335 4.31,336 3.348,337 4.733,338 0.86,339 12.146,340 3.225,341 4.24,342 3.116,343 6.268,344 3.826,345 2.87,346 3.897,347 0.4,348 9.348,349 2.743,350 3.881,351 2.81,352 6.049,353 3.618,354 2.662,355 3.246,357 8.606,358 2.54,359 3.699,360 2.452,361 5.73,362 3.302,363 2.35,364 3.104,366 7.54,367 2.23,368 3.239,369 2.118,370 5.079,371 2.934,372 1.995,373 2.365,375 5.69,376 1.869,377 3.008,378 1.931,379 4.502,380 2.472,381 1.544,382 2.245,384 4.255,385 1.429,386 2.847,387 1.563,388 4.236,389 2.409,390 1.463,391 1.978,393 3.654,394 1.377,395 2.639,396 1.52,397 4.146,398 2.279,399 1.343,400 1.685,402 3.527,403 1.254,404 2.455,405 1.144,406 3.664,407 1.988,408 1.057,409 1.441,411 2.578,412 0.98,413 1.867,414 0.951,415 3.25,416 1.653,417 0.704,418 0.8,420 1.753,421 0.665,422 1.755,423 0.783,424 3,425 1.58,426 0.618,427 0.646,428 1.372,429 0.594,430 1.618,431 0.748,432 2.952,433 1.441,434 0.553,435 0.618,436 0.984,437 0.487,438 1.061,439 0.2,440 2.597,441 0.652,442 -0.257,443 -0.308,445 -0.474,446 -0.23,447 0.966,448 -0.145,449 2.46,450 0.592,451 -0.31,452 -0.386,454 -0.694,455 -0.278,456 0.773,457 -0.436,458 2.333,459 0.342,460 -0.611,461 -0.799,463 -1.675,464 -0.578,465 11.067,466 0.461,467 0.572,468 0.024,469 32.25,470 1.344,471 15.5,472 0.646,473 16.75,474 0.698,475 17.878,476 0.745,477 26.133,478 0.622,479 23.502,480 0.979,481 6.372,482 0.265,483 5.314,484 0.221,485 0.111,487 0.398,493 0.991,494 1.346,495 0.774,496 1.07,497 1.023,498 0.904,499 1.019,500 1.095,501 0.812,502 0.916,503 0.68,504 0.835,505 0.883,506 1.189,507 0.869,508 1.027,509 0.74,510 0.95,511 0.982,512 0.948,513 0.9,514 0.889,515 0.906,516 0.876,517 1.064,518 1.116,519 1.14,520 1.053,521 1.187,522 1.093,523 0.766,524 1.213,525 1,526 1.166,527 0.913,528 1.124,529 0.725,530 1.101,531 1.087,532 1.24,533 0.899,534 1.233,535 1.027,536 0.779,537 1.093,538 0.965,539 1.26,540 1.028,541 4,542 0.032,543 3.111,544 1.944,545 1.687,546 0.858,547 0.551,548 0.398,549 0.228,550 0.097,551 5813,552 16032,553 2.135,554 42.9,556 11,558 1,559 4,562 2,564 1.676,565 2,566 3.078,567 1.86,569 1,571 1,573 69.909,574 1.664,575 4.042,576 4.88,577 5.089,578 5.089,579 5.089,580 2.507,581 4.137,582 4.554,583 3.196,584 882.164,585 7.899,586 9905.6,587 1,588 1,591 226.477,592 1.406,593 4.518,594 0.148,595 0.006,596 0.08,597 0.049,598 0.042,599 0.025,600 0.017,601 0.015,602 0.013,603 0.009,604 0.403,605 0.33,606 1,607 0.757,608 111.068,609 -0.109,610 -0.1,611 0.037,612 -0.002,613 -0.143,614 0.04,615 -0.077,616 0.048,617 0.073,618 0.1,619 0.033,620 0.112,621 0.042,622 -0.126,623 0.058,624 -0.035,625 0.111,626 0.01,627 -0.021,628 0.111,629 0.048,630 0.069,631 0.02,632 0.067,633 -0.17,634 -0.036,635 -0.222,636 -0.076,637 -0.163,638 -0.144,639 0.011,640 -0.161,641 -0.084,642 -0.166,643 -0.055,644 -0.142,645 0.176,646 -0.103,647 -0.128,648 -0.272,649 0.127,650 -0.264,651 0.037,652 0.058,653 -0.033,654 -0.027,655 -0.069,656 -0.034,657 1.615,658 4.08,659 0.833,660 18.125,661 1.014,662 1.14,663 2.157,664 4.651,665 0.655,666 3.332,667 3.689,668 4.043,669 4.369,670 4.595,671 4.787,672 4.956,673 5.1,674 5.147,675 5.106,676 5.139,677 0.636,678 326.4,679 3.332,680 4.89,681 5.778,682 6.686,683 7.594,684 8.513,685 9.431,686 10.355,687 11.278,688 12.204,689 14.3,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 42,733 16,734 1,735 27,737 45,738 16,739 11,740 3,741 3,746 4,747 5,755 2,758 2,761 11,762 5,777 1,778 1,781 18,782 7,783 4,784 8,790 6,794 0.75,795 2,803 1,806 1,808 1,811 2,812 2,815 1,835 1,840 3,844 1,848 24,849 1,853 1,854 3,855 1,856 1,858 1,870 4.8,872 1,875 1,877 12,878 7.667,879 5.278,880 2.372,881 3.091,882 1.42,883 0.988,884 3.843,885 10.455,886 3.584,887 4.245,888 4.934,889 5.604,890 6.183,891 6.62,892 7.088,893 7.546,894 7.841,895 8.119,896 0.833,897 40,898 8.841,900 3.84,901 7.771,902 16.788,904 14.027,905 2.271,906 54.5,910 164.795,911 72.478,912 102.919,914 53.683,917 72.478,918 218.479,919 102.919,920 10.883,921 6.746,922 79.337,923 106.404,924 35.154,925 2.328,926 153.024,928 164.795,929 175.397,930 53.683,933 141.253,934 77.225,937 39.624,938 85.539,939 50.234,941 164.795,942 156.602,943 72.478,946 164.795,947 24.548,948 49.707,949 18.011,950 136.814,951 164.795,952 156.602,953 72.478,955 0.584,956 0.363,957 0.206,958 0.106,959 21,960 9,961 0.067,962 3,963 1,964 1.1,965 3.523,966 210.86,967 0.1,968 20,969 110.039,974 15.328,975 6.017,976 2.544,977 1.412,978 154.825,979 6.606,980 13.225,984 2.238,985 1.907,986 93.591,987 393.876,988 35,999 42.567,1000 47.9,1001 0.309,1002 0.75,1003 0.905,1004 0.944,1005 0.944,1006 0.944,1007 4.836,1008 1.343,1009 5.778,1010 3.654,1011 4.369,1012 4.931,1013 1.029,1014 6.655,1015 4.269,1016 6.061,1017 1.057,1018 7.376,1019 3.527,1020 4.007,1021 4.856,1023 7.689,1024 3.871,1025 7.395,1026 0.704,1027 9.078,1028 2.578,1029 6.019,1030 7.237,1031 0.763,1032 10.849,1033 5.838,1034 8.773,1035 0.618,1036 10.842,1037 1.753,1038 6.524,1039 8.046,1041 12.74,1042 6.307,1043 10.187,1044 0.553,1045 12.645,1046 1.372,1047 7.989,1048 9.899,1049 0.597,1050 15.427,1051 7.735,1052 11.627,1053 -0.257,1054 14.475,1055 0.984,1056 8.874,1057 11.108,1059 17.665,1060 8.583,1061 13.088,1062 -0.31,1063 16.326,1064 -0.474,1065 10.145,1066 12.764,1067 0.47,1068 20.207,1069 9.819,1070 3.348,1071 -0.611,1072 18.191,1073 -0.694,1074 11.198,1075 14.158,1077 22.592,1078 10.835,1079 2.87,1080 12.146,1081 20.069,1082 -1.675,1083 12.403,1084 15.739,1085 0.367,1086 25.092,1087 12.007,1088 2.662,1089 9.348,1090 21.956,1091 4.733,1092 13.531,1093 17.217,1095 27.539,1096 13.098,1097 2.35,1098 8.606,1099 23.852,1100 3.897,1101 14.72,1102 18.773,1103 0.283,1104 30.03,1105 14.251,1106 1.995,1107 7.54,1108 25.755,1109 3.246,1110 15.883,1111 20.29,1113 32.503,1114 15.378,1115 1.544,1116 5.69,1117 27.664,1118 3.104,1119 17.07,1120 21.839,1121 0.217,1122 34.994,1123 16.53,1124 1.463,1125 4.255,1126 29.578,1127 2.365,1128 18.25,1129 23.373,1131 37.48,1132 17.674,1133 5574,1134 9372,1135 18.205,1136 27.512,1137 40.913,1138 41.435,1139 42.517,1140 41.047,1141 41.011,1142 53.516,1143 2.52,1144 122.904,1145 38.782,1146 5.665,1147 5.394,1148 6.646,1149 5.387,1150 5.348,1151 7.733,1152 1.72,1153 19.684,1154 5.225,1155 10.546,1156 1.515,1157 1.535,1158 1.575,1159 1.52,1160 1.519,1161 1.982,1162 0.093,1163 4.552,1164 1.436,1165 4.142,1166 4.19,1167 4.123,1168 3.999,1169 6.47,1170 4.023,1171 3.861,1172 3.888,1173 3.81,1174 3.745,1175 5.255,1176 3.758,1177 3.75,1178 3.813,1179 3.64,1180 3.585,1181 4.878,1182 3.589,1183 3.311,1184 3.386,1185 3.236,1186 3.046,1187 4.749,1188 3.081,1189 3.2,1190 3.286,1191 3.049,1192 2.897,1193 4.523,1194 2.921,1195 3.006,1196 3.104,1197 2.883,1198 2.753,1199 4.362,1200 2.77,1201 2.931,1202 2.973,1203 2.804,1204 2.745,1205 4.217,1206 2.746,1207 2.85,1208 2.959,1209 2.609,1210 2.618,1211 3.697,1212 2.603,1213 0.176,1214 0.126,1215 0.261,1216 0.16,1217 0.124,1218 4.764,1219 0.175,1220 3.394,1221 0.032,1222 7.05,1223 0.45,1224 4.31,1225 0.119,1226 3.348,1227 4.733,1228 0.86,1229 12.146,1230 3.225,1231 1.924,1232 1.907,1233 1.99,1234 2.035,1235 1.241,1236 2.016,1237 1.786,1238 1.743,1239 1.888,1240 1.975,1241 1.116,1242 1.951,1243 1.587,1244 1.53,1245 1.761,1246 1.785,1247 0.941,1248 1.779,1249 1.423,1250 1.33,1251 1.687,1252 1.704,1253 0.829,1254 1.711,1255 1.223,1256 1.162,1257 1.568,1258 1.519,1259 0.573,1260 1.534,1261 1.065,1262 0.985,1263 1.234,1264 1.357,1265 0.259,1266 1.335,1267 0.883,1268 0.839,1269 1.149,1270 1.209,1271 0.143,1272 1.189,1273 0.852,1274 0.759,1275 1.107,1276 1.132,1277 0.086,1278 1.129,1279 4.007,1281 5.352,1282 3.045,1283 6.899,1284 5.352,1285 8.541,1286 7.455,1287 10.236,1289 1.512,1293 6.093,1294 10.08,1295 2.771,1296 3.331,1297 5.1,1299 0.224,1305 26.719,1306 69.909,1307 169.748,1308 204.968,1309 213.722,1310 213.722,1311 213.722,1312 35.845,1313 7.364,1314 111.11,1315 111.11,1316 22,1317 12.709,1318 4.087,1319 3.17,1320 33.584,1321 72,1322 86,1323 0.232,1324 162.941,1325 268.32,1326 389.336,1327 13619,1329 16.681,1330 0.695,1331 0.551,1332 16.681,1333 13.23,1334 11.686,1335 0.433,1336 0.287,1337 7.596,1338 11.076,1339 7.458,1340 6.156,1341 11.686,1342 7.755,1343 10.476,1344 0.269,1345 0.148,1346 10.476,1347 5.784,1348 9.46,1349 0.169,1350 0.078,1351 9.46,1352 4.351,1353 8.298,1354 0.106,1355 0.04,1356 8.298,1357 3.138,1358 6.28,1359 0.064,1360 0.019,1361 6.28,1362 1.865,1363 0.348,1364 74.451,1365 0.234,1366 22.771,1367 0.689,1368 132,1369 394.111,1370 147.806,1371 379.167,1372 527.91,1373 356,1374 161,1375 402.996,1376 178.583,1377 405.835,1378 599.54,1379 381,1380 5.646}
{0 CHEMBL1242289,1 1.591,2 9.36,3 3.167,4 10.029,5 96.715,6 7.379,7 0.571,8 3.951,9 4.076,10 3.512,11 3.442,12 5.057,13 3.438,14 4.492,15 4.669,16 3.889,17 3.847,18 5.532,19 3.821,20 4.741,21 4.964,22 3.948,23 3.929,24 5.771,25 3.887,26 4.704,27 4.927,28 3.959,29 3.926,30 5.785,31 3.893,32 4.691,33 4.894,34 3.876,35 3.964,36 5.771,37 3.905,38 4.717,39 4.934,40 3.799,41 3.935,42 5.764,43 3.852,44 4.704,45 4.952,46 3.661,47 3.821,48 5.748,49 3.71,50 4.597,51 4.868,52 3.343,53 3.601,54 5.562,55 3.463,56 0.081,57 0.72,58 9.864,59 3.983,60 11.034,61 5.337,62 0.206,63 1.143,64 18.476,65 6.804,66 21.067,67 9.448,68 0.423,69 1.327,70 25.864,71 7.871,72 39.947,73 11.701,74 0.427,75 1.342,76 24.629,77 7.313,78 38.995,79 10.816,80 0.34,81 1.34,82 23.395,83 7.39,84 40.603,85 10.886,86 0.371,87 1.304,88 24.586,89 8.016,90 40.15,91 11.787,92 0.428,93 1.195,94 25.286,95 8.053,96 53.644,97 12.208,98 0.459,99 0.963,100 23.958,101 7.218,102 51.723,103 10.821,104 12,105 40,106 0.273,107 0.649,108 0.792,109 0.84,110 0.84,111 0.84,112 3.268,113 0.925,114 -4.62,115 -4.54,116 -4.27,119 39.1,120 1,121 4,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 9,177 1,178 1,180 2,183 6,185 1,186 1,187 9,190 1,192 2,195 3,198 2,199 10,201 3,202 3,204 2,207 4,209 1,212 7,215 1,217 4,220 6,222 2,223 1,224 5,227 1,229 3,232 7,234 3,236 1,237 2,240 2,241 1,242 2,244 1,245 6,247 2,249 2,250 1,252 1,253 1,255 2,258 3,263 3,268 2,275 897,276 17.215,277 17.215,278 17.215,279 17.215,280 17.215,281 15.331,282 15.641,283 10.166,284 17.703,285 13.797,286 13.797,287 13.797,288 13.797,289 13.797,290 10.889,291 13.455,292 4.721,293 14.53,294 3.933,295 1.74,296 0.902,297 0.625,298 0.625,299 0.625,300 3.964,303 1,304 1,305 1,306 512,307 2.55,310 105.539,311 133.16,314 94.479,318 1.414,319 25.213,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 234,332 4.764,333 3.392,334 7.05,335 4.311,336 3.348,337 4.733,338 0.86,339 12.146,340 3.225,341 4.242,342 3.131,343 6.268,344 3.831,345 2.874,346 3.899,348 9.353,349 2.748,350 3.882,351 2.79,352 6.056,353 3.625,354 2.664,355 3.246,357 8.647,358 2.558,359 3.703,360 2.464,361 5.733,362 3.308,363 2.356,364 3.106,366 7.565,367 2.235,368 3.239,369 2.062,370 5.079,371 2.949,372 1.995,373 2.365,375 5.69,376 1.898,377 3.013,378 2.011,379 4.51,380 2.505,381 1.59,382 2.249,384 4.32,385 1.45,386 2.859,387 1.539,388 4.237,389 2.423,390 1.48,391 1.989,393 3.712,394 1.39,395 2.64,396 1.413,397 4.171,398 2.307,399 1.343,400 1.686,402 3.527,403 1.291,404 2.469,405 1.337,406 3.664,407 2.06,408 1.129,409 1.461,411 2.593,412 1.043,413 2.177,414 1.038,415 3.257,416 1.907,417 0.965,418 1.141,420 1.918,421 0.903,422 1.854,423 0.704,424 3.217,425 1.654,426 0.678,427 0.779,428 1.698,429 0.66,430 1.618,431 0.618,432 3,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.303,439 0.39,440 2.682,441 1.01,442 0.082,443 0.095,445 0.155,446 0.075,447 1.057,448 -0.148,449 2.461,450 0.621,451 -0.291,452 -0.37,454 -0.68,455 -0.265,456 0.782,457 -0.305,458 2.336,459 0.365,460 -0.576,461 -0.707,463 -1.206,464 -0.534,465 11.667,466 0.467,467 0.572,468 0.023,469 32.25,470 1.29,471 15.5,472 0.62,473 16.75,474 0.67,475 20.82,476 0.833,477 27.333,478 0.594,479 22.788,480 0.912,481 5.875,482 0.235,483 6.311,484 0.252,485 0.106,487 0.377,493 0.926,494 1.284,495 0.806,496 1.091,497 0.998,498 0.953,499 0.867,500 1.168,501 0.807,502 1.065,503 0.587,504 0.951,505 1.025,506 1.155,507 0.843,508 0.937,509 0.75,510 0.87,511 1.054,512 0.94,513 0.888,514 0.825,515 0.942,516 0.819,517 1.102,518 1.158,519 1.155,520 1.08,521 1.166,522 1.104,523 0.967,524 1.156,525 1.134,526 1.159,527 1.264,528 1.167,529 0.687,530 1.079,531 1.019,532 1.153,533 0.873,534 1.139,535 0.979,536 0.841,537 1.079,538 1.021,539 1.269,540 1.06,541 4,542 0.041,543 3.111,544 1.944,545 1.767,546 0.886,547 0.591,548 0.398,549 0.228,550 0.142,551 6586,552 16211,553 2.13,554 45.7,555 4,556 6,558 1,559 3,561 7,564 1.686,565 2,566 3.17,567 1.005,568 1,569 1,573 73.177,574 1.591,575 3.783,576 4.621,577 4.898,578 4.898,579 4.898,580 2.695,581 4.324,582 4.61,583 3.306,584 991.872,585 8.008,586 11500.2,588 1,590 1,591 254.084,592 1.388,593 4.579,594 0.143,595 0.005,596 0.078,597 0.047,598 0.042,599 0.023,600 0.017,601 0.014,602 0.012,603 0.01,604 0.392,605 0.17,606 1,607 0.924,608 118.024,609 -0.048,610 -0.047,611 0.048,612 0.004,613 -0.105,614 0.035,615 0.041,616 -0.042,617 0.101,618 -0.02,619 0.115,620 0.035,621 0.041,622 -0.141,623 0.136,624 0.039,625 0.133,626 0.093,627 -0.024,628 0.145,629 0.082,630 0.12,631 0.014,632 0.116,633 -0.176,634 -0.037,635 -0.228,636 -0.096,637 -0.119,638 -0.154,639 -0.054,640 -0.102,641 -0.194,642 -0.165,643 -0.159,644 -0.196,645 0.175,646 -0.103,647 -0.052,648 -0.176,649 0.12,650 -0.154,651 0.075,652 0.046,653 -0.062,654 -0.068,655 -0.059,656 -0.081,657 1.585,658 4.221,659 0.8,660 20.675,661 1.005,662 1.135,663 3.386,664 11.463,665 0.653,666 3.367,667 3.714,668 4.06,669 4.394,670 4.625,671 4.804,672 4.984,673 5.136,674 5.187,675 5.176,676 5.452,677 0.625,678 339.44,679 3.367,680 4.92,681 5.802,682 6.708,683 7.614,684 8.531,685 9.448,686 10.371,687 11.293,688 12.219,689 10.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,729 1,731 46,733 16,734 1,735 28,737 49,738 18,739 11,740 3,741 3,746 4,747 5,752 1,755 5,758 5,761 11,762 7,777 1,778 1,781 21,782 6,783 3,784 7,790 5,794 0.75,795 2,803 1,806 1,811 2,812 2,815 1,840 3,844 1,848 25,849 1,853 1,854 5,856 1,858 1,870 4.3,872 1,875 1,877 12.5,878 8.417,879 5.528,880 3.039,881 3.102,882 1.417,883 0.978,884 4.318,885 10.548,886 3.611,887 4.259,888 4.941,889 5.615,890 6.195,891 6.629,892 7.102,893 7.565,894 7.861,895 8.155,896 1,897 41,898 9.246,900 4.001,901 7.7,902 17.788,904 14.963,905 2.2,906 55,909 1,910 211.88,911 78.405,912 84.908,914 53.683,917 78.405,918 265.563,919 84.908,920 8.825,921 14.731,922 61.326,923 106.404,924 35.154,925 2.328,926 200.109,928 211.88,929 163.313,930 53.683,933 129.482,934 136.081,937 38.423,938 74.656,939 50.234,941 211.88,942 138.591,943 78.405,946 211.88,947 32.532,948 47.649,950 136.814,951 211.88,952 138.591,953 78.405,955 0.578,956 0.354,957 0.207,958 0.111,959 21,960 9,961 0.082,962 4,963 1,964 1.1,965 3.626,966 220.874,967 0.1,968 20,969 112.096,974 16.308,975 6.619,976 2.856,977 1.487,978 136.814,979 6.745,980 13.355,984 2.397,985 1.975,986 75.581,987 428.876,988 36,999 46.232,1000 52.232,1001 0.288,1002 0.685,1003 0.837,1004 0.887,1005 0.887,1006 0.887,1007 4.86,1008 1.343,1009 5.796,1010 3.712,1011 4.394,1012 4.945,1013 0.908,1014 6.668,1015 4.301,1016 6.078,1017 1.129,1018 7.388,1019 3.527,1020 4.007,1021 4.856,1023 7.689,1024 3.871,1025 7.407,1026 0.965,1027 9.086,1028 2.593,1029 6.033,1030 7.241,1031 0.739,1032 10.856,1033 5.861,1034 8.781,1035 0.678,1036 10.847,1037 1.918,1038 6.524,1039 8.046,1041 12.743,1042 6.312,1043 10.192,1044 0.618,1045 12.649,1046 1.698,1047 7.997,1048 9.9,1049 0.593,1050 15.432,1051 7.752,1052 11.631,1053 0.082,1054 14.479,1055 1.372,1056 8.876,1057 11.109,1059 17.668,1060 8.591,1061 13.091,1062 -0.291,1063 16.329,1064 0.155,1065 10.15,1066 12.765,1067 0.469,1068 20.211,1069 9.833,1070 3.348,1071 -0.576,1072 18.194,1073 -0.68,1074 11.201,1075 14.158,1077 22.594,1078 10.845,1079 2.874,1080 12.146,1081 20.071,1082 -1.206,1083 12.408,1084 15.74,1085 0.366,1086 25.094,1087 12.018,1088 2.664,1089 9.353,1090 21.959,1091 4.733,1092 13.534,1093 17.218,1095 27.541,1096 13.107,1097 2.356,1098 8.647,1099 23.854,1100 3.899,1101 14.723,1102 18.774,1103 0.283,1104 30.031,1105 14.261,1106 1.995,1107 7.565,1108 25.757,1109 3.246,1110 15.885,1111 20.29,1113 32.504,1114 15.387,1115 1.59,1116 5.69,1117 27.666,1118 3.106,1119 17.073,1120 21.839,1121 0.217,1122 34.995,1123 16.539,1124 1.48,1125 4.32,1126 29.58,1127 2.365,1128 18.253,1129 23.373,1131 37.48,1132 17.682,1133 6332,1134 10081,1135 18.898,1136 30.029,1137 42.094,1138 42.641,1139 43.914,1140 42.316,1141 42.243,1142 54.735,1143 1.72,1144 125.391,1145 40.189,1146 5.665,1147 5.392,1148 6.816,1149 5.386,1150 5.348,1151 7.733,1152 1.72,1153 19.685,1154 5.225,1155 10.923,1156 1.503,1157 1.523,1158 1.568,1159 1.511,1160 1.509,1161 1.955,1162 0.061,1163 4.478,1164 1.435,1165 4.145,1166 4.192,1167 4.124,1168 4.004,1169 6.47,1170 4.027,1171 3.87,1172 3.898,1173 3.814,1174 3.767,1175 5.254,1176 3.771,1177 3.779,1178 3.83,1179 3.663,1180 3.653,1181 4.876,1182 3.652,1183 3.464,1184 3.535,1185 3.3,1186 3.26,1187 4.729,1188 3.252,1189 3.274,1190 3.366,1191 3.185,1192 3.002,1193 4.512,1194 3.041,1195 3.031,1196 3.117,1197 2.937,1198 2.811,1199 4.297,1200 2.831,1201 2.932,1202 2.979,1203 2.804,1204 2.746,1205 4.14,1206 2.748,1207 2.869,1208 2.975,1209 2.69,1210 2.671,1211 3.734,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.764,1219 0.169,1220 3.392,1221 0.031,1222 7.05,1223 0.434,1224 4.311,1225 0.115,1226 3.348,1227 4.733,1228 0.86,1229 12.146,1230 3.225,1231 1.925,1232 1.908,1233 1.993,1234 2.036,1235 1.243,1236 2.018,1237 1.788,1238 1.745,1239 1.891,1240 1.978,1241 1.211,1242 1.954,1243 1.59,1244 1.534,1245 1.86,1246 1.794,1247 1.119,1248 1.793,1249 1.577,1250 1.507,1251 1.796,1252 1.751,1253 0.938,1254 1.789,1255 1.454,1256 1.38,1257 1.734,1258 1.684,1259 0.829,1260 1.714,1261 1.122,1262 1.066,1263 1.248,1264 1.378,1265 0.285,1266 1.353,1267 0.883,1268 0.839,1269 1.154,1270 1.225,1271 0.148,1272 1.206,1273 0.871,1274 0.78,1275 1.12,1276 1.134,1277 0.119,1278 1.13,1279 4.043,1281 5.38,1282 3.045,1283 6.919,1284 5.352,1285 8.557,1286 7.455,1287 10.249,1289 1.877,1293 6.13,1294 10.221,1295 5.077,1297 5.4,1299 0.335,1305 28.751,1306 73.177,1307 174.026,1308 212.574,1309 225.329,1310 225.329,1311 225.329,1312 39.013,1313 7.447,1314 99.08,1315 99.08,1316 22,1317 12.724,1318 4.087,1319 3.17,1320 35.696,1321 79,1322 103,1323 0.223,1324 175.331,1325 291.92,1326 419.568,1327 15235,1329 17.389,1330 0.696,1331 0.566,1332 17.389,1333 14.144,1334 12.186,1335 0.435,1336 0.308,1337 8.508,1338 11.656,1339 8.356,1340 6.904,1341 12.186,1342 8.636,1343 10.857,1344 0.271,1345 0.158,1346 10.857,1347 6.304,1348 9.595,1349 0.168,1350 0.083,1351 9.595,1352 4.721,1353 8.491,1354 0.106,1355 0.044,1356 8.491,1357 3.543,1358 6.646,1359 0.066,1360 0.021,1361 6.646,1362 2.083,1363 0.337,1364 76.743,1365 0.23,1366 23.727,1367 0.651,1368 136,1369 383.778,1370 151.083,1371 370.2,1372 519.75,1373 348,1374 165,1375 402.778,1376 181.389,1377 402.463,1378 597.89,1379 381,1380 6.09}
{0 CHEMBL1242290,1 1.623,2 8.043,3 2.393,4 5.728,5 89.489,6 7.462,7 0.64,8 3.853,9 3.979,10 3.423,11 3.302,12 5.012,13 3.31,14 4.363,15 4.551,16 3.776,17 3.653,18 5.436,19 3.658,20 4.478,21 4.654,22 3.9,23 3.794,24 5.602,25 3.791,26 4.63,27 4.834,28 3.903,29 3.879,30 5.741,31 3.844,32 4.672,33 4.887,34 3.732,35 3.876,36 5.673,37 3.8,38 4.593,39 4.812,40 3.668,41 3.799,42 5.629,43 3.707,44 4.649,45 4.927,46 3.469,47 3.657,48 5.626,49 3.534,50 4.442,51 4.725,52 3.228,53 3.38,54 5.353,55 3.255,56 0.074,57 0.645,58 8.791,59 3.433,60 9.889,61 4.65,62 0.319,63 0.962,64 16.998,65 5.361,66 24.779,67 7.485,68 0.335,69 1.127,70 18.27,71 5.685,72 21.751,73 8.306,74 0.38,75 1.253,76 21.995,77 7.013,78 34.056,79 10.119,80 0.44,81 1.226,82 23.669,83 7.242,84 35.001,85 10.633,86 0.283,87 1.146,88 21.271,89 7.188,90 28.39,91 10.803,92 0.526,93 1.037,94 25.127,95 6.974,96 49.723,97 11.085,98 0.43,99 0.765,100 21.098,101 6.078,102 35.612,103 9.318,104 35,105 36,106 0.285,107 0.642,108 0.755,109 0.783,110 0.791,111 0.8,112 3.19,113 0.873,114 -4.13,115 -4.08,116 -3.86,119 38.1,120 2,124 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 9,177 1,178 1,180 1,183 4,185 1,186 2,187 9,195 3,198 2,199 9,201 3,202 3,204 1,207 3,209 1,211 1,212 6,217 2,220 2,222 2,223 2,224 5,229 3,232 4,234 3,236 3,239 1,240 1,245 2,249 2,250 2,252 1,253 1,263 2,275 693,276 15.516,277 15.516,278 15.516,279 15.516,280 15.516,281 13.685,282 16.719,283 8.859,284 16.122,285 12.176,286 12.176,287 12.176,288 12.176,289 12.176,290 9.221,291 15.44,292 3.957,293 12.956,294 3.77,295 1.735,296 1.09,297 0.929,298 0.881,299 0.834,300 3.865,303 1,304 1,305 1,306 388,307 3,310 45.628,311 122.786,314 87.031,318 1.18,319 19.892,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.5,331 185,332 4.76,333 3.383,334 7.039,335 4.302,336 3.339,337 4.732,338 0.86,339 12.088,340 3.218,341 4.261,342 3.178,343 6.238,344 3.84,345 2.891,346 3.916,347 0.86,348 9.305,349 2.742,350 3.822,351 2.685,352 6.061,353 3.498,354 2.548,355 3.219,357 8.521,358 2.415,359 3.704,360 2.448,361 5.709,362 3.304,363 2.353,364 3.111,366 7.436,367 2.231,368 3.033,369 2.178,370 4.82,371 2.684,372 1.743,373 2.258,375 4.818,376 1.636,377 2.989,378 1.823,379 4.515,380 2.523,381 1.614,382 2.128,384 4.317,385 1.461,386 2.919,387 1.561,388 4.33,389 2.461,390 1.521,391 2.057,393 3.974,394 1.424,395 2.532,396 1.156,397 3.862,398 2.018,399 1.077,400 1.545,402 2.765,403 1.01,404 2.136,405 0.976,406 3.493,407 1.796,408 0.837,409 1.048,411 2.067,412 0.799,413 1.863,414 0.933,415 3.04,416 1.532,417 0.633,418 0.758,420 1.166,421 0.563,422 1.453,423 0.816,424 2.702,425 1.184,426 0.334,427 0.364,428 0.445,429 0.282,430 1.061,431 -0.002,432 2.466,433 0.636,434 -0.28,435 -0.352,436 -0.631,437 -0.256,438 0.867,439 -0.169,440 2.413,441 0.475,442 -0.449,443 -0.557,445 -0.867,446 -0.409,447 0.62,448 -0.56,449 2.257,450 0.166,451 -0.772,452 -1,454 -2,455 -0.714,456 0.569,457 -0.771,458 2.199,459 0.083,460 -0.862,461 -1.009,463 -2.058,464 -0.81,465 10.667,466 0.464,467 0.61,468 0.027,469 31,470 1.348,471 15.5,472 0.674,473 15.5,474 0.674,475 17.855,476 0.776,477 25.333,478 0.603,479 22.634,480 0.984,481 6.201,482 0.27,483 4.861,484 0.211,485 0.225,487 0.413,493 0.907,494 1.422,495 0.783,496 1.221,497 1.05,498 1.012,499 1.234,500 0.961,501 0.729,502 0.736,503 0.877,504 0.665,505 1.009,506 1.258,507 0.854,508 0.981,509 0.805,510 0.89,511 0.974,512 1.058,513 0.972,514 1.04,515 0.96,516 1.007,517 1.212,518 1.07,519 1.219,520 1.055,521 1.123,522 1.123,523 0.67,524 1.345,525 1.077,526 1.359,527 0.947,528 1.299,529 0.761,530 0.874,531 1.021,532 0.989,533 1.201,534 1.029,535 0.873,536 0.851,537 0.871,538 0.952,539 0.644,540 0.927,541 4.5,542 0.012,543 3.111,544 2.167,545 1.967,546 0.952,547 0.566,548 0.458,549 0.265,550 0.081,551 4696,552 12995,553 2.016,554 45.2,556 10,558 1,559 2,561 6,564 1.665,565 1.84,566 3.011,567 0.364,568 1,569 1,571 1,573 68.157,574 1.623,575 3.658,576 4.302,577 4.463,578 4.511,579 4.559,580 2.442,581 4.317,582 4.494,583 3.131,584 792.026,585 7.779,586 8689.32,587 1,588 1,590 1,591 226.477,592 1.538,593 4.428,594 0.18,595 0.004,596 0.086,597 0.054,598 0.05,599 0.03,600 0.02,601 0.021,602 0.016,603 0.008,604 0.469,605 0.33,606 1,607 1.059,608 104.782,609 -0.018,610 -0.176,611 0.065,612 -0.126,613 -0.145,614 -0.03,615 -0.064,616 0.123,617 0.229,618 0.268,619 0.072,620 0.289,621 0.009,622 -0.101,623 0.064,624 0.023,625 0.083,626 0.055,627 -0.022,628 0.052,629 -0.041,630 -0.054,631 0.026,632 -0.056,633 -0.22,634 -0.018,635 -0.275,636 -0.067,637 -0.209,638 -0.164,639 0.059,640 -0.295,641 -0.166,642 -0.337,643 -0.019,644 -0.3,645 0.135,646 0.046,647 -0.019,648 -0.059,649 -0.073,650 -0.058,651 0.186,652 -0.036,653 0.17,655 0.291,656 0.07,657 1.258,658 2.074,659 0.652,660 16.658,661 1.008,662 1.138,663 2.905,664 8.439,665 0.649,666 3.258,667 3.611,668 3.951,669 4.263,670 4.511,671 4.644,672 4.736,673 4.844,674 4.852,675 4.779,676 4.979,677 0.624,678 313.4,679 3.258,680 4.812,681 5.694,682 6.603,683 7.509,684 8.427,685 9.342,686 10.264,687 11.183,688 12.107,689 11.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 42,733 16,734 1,735 25,737 44,738 16,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 5,777 1,778 1,781 19,782 6,783 2,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 4,848 23,849 1,856 2,858 1,870 4.8,875 2,877 12.5,878 8.883,879 5.194,880 2.364,881 3.16,882 1.448,883 0.961,884 4.199,885 10.213,886 3.526,887 4.201,888 4.904,889 5.578,890 6.16,891 6.574,892 7.012,893 7.46,894 7.737,895 8.008,896 1,897 40,898 8.425,900 3.48,901 7.717,902 15.953,904 12.613,905 2.217,906 51,909 1,910 200.109,911 99.509,912 84.908,914 22,917 99.509,918 222.109,919 84.908,920 39.417,922 61.326,923 63.72,924 51.397,925 2.328,926 188.338,928 200.109,929 184.417,930 22,933 129.482,934 92.626,937 32.518,938 101.665,939 50.234,941 200.109,942 106.908,943 99.509,946 200.109,947 23.045,948 78.24,950 105.131,951 200.109,952 106.908,953 99.509,955 0.582,956 0.365,957 0.207,958 0.115,959 18,960 9,961 0.091,962 4,963 1,964 1.133,965 3.313,966 192.166,967 0.133,968 15,969 102.042,974 15.716,975 6.144,976 2.644,977 1.464,978 105.131,979 7.086,980 13.128,984 3.3,985 1.847,986 32.897,987 406.526,988 33,999 42.349,1000 47.817,1001 0.301,1002 0.678,1003 0.798,1004 0.828,1005 0.837,1006 0.845,1007 4.771,1008 1.077,1009 5.707,1010 3.974,1011 4.29,1012 4.887,1013 1.376,1014 6.594,1015 4.182,1016 6.014,1017 0.837,1018 7.318,1019 2.765,1020 4.007,1021 4.856,1023 7.667,1024 3.871,1025 7.355,1026 0.633,1027 9.03,1028 2.067,1029 5.953,1030 7.221,1031 1.159,1032 10.806,1033 5.761,1034 8.74,1035 0.334,1036 10.801,1037 1.166,1038 6.494,1039 8.043,1041 12.707,1042 6.269,1043 10.16,1044 -0.28,1045 12.61,1046 0.445,1047 7.936,1048 9.896,1049 0.963,1050 15.387,1051 7.671,1052 11.605,1053 -0.449,1054 14.443,1055 -0.631,1056 8.838,1057 11.109,1059 17.627,1060 8.537,1061 13.07,1062 -0.772,1063 16.296,1064 -0.867,1065 10.101,1066 12.765,1067 0.787,1068 20.163,1069 9.765,1070 3.339,1071 -0.862,1072 18.162,1073 -2,1074 11.161,1075 14.16,1077 22.546,1078 10.789,1079 2.891,1080 12.088,1081 20.041,1082 -2.058,1083 12.364,1084 15.742,1085 0.634,1086 25.041,1087 11.959,1088 2.548,1089 9.305,1090 21.928,1091 4.732,1092 13.495,1093 17.22,1095 27.485,1096 13.054,1097 2.353,1098 8.521,1099 23.824,1100 3.916,1101 14.682,1102 18.775,1103 0.504,1104 29.971,1105 14.208,1106 1.743,1107 7.436,1108 25.727,1109 3.219,1110 15.845,1111 20.291,1113 32.44,1114 15.336,1115 1.614,1116 4.818,1117 27.635,1118 3.111,1119 17.031,1120 21.84,1121 0.395,1122 34.926,1123 16.489,1124 1.521,1125 4.317,1126 29.549,1127 2.258,1128 18.211,1129 23.374,1131 37.407,1132 17.633,1133 4745,1134 8015,1135 16.126,1136 27.267,1137 37.904,1138 38.54,1139 40.613,1140 37.69,1141 37.778,1142 50.272,1143 3.44,1144 113.803,1145 35.566,1146 5.444,1147 5.383,1148 6.593,1149 5.375,1150 5.339,1151 7.732,1152 1.72,1153 19.554,1154 5.218,1155 13.249,1156 1.516,1157 1.542,1158 1.625,1159 1.508,1160 1.511,1161 2.011,1162 0.138,1163 4.552,1164 1.423,1165 4.133,1166 4.18,1167 4.116,1168 3.994,1169 5.257,1170 4.017,1171 3.856,1172 3.876,1173 3.813,1174 3.735,1175 4.943,1176 3.752,1177 3.577,1178 3.654,1179 3.445,1180 3.407,1181 4.837,1182 3.399,1183 3.298,1184 3.359,1185 3.191,1186 3.052,1187 4.518,1188 3.081,1189 3.247,1190 3.314,1191 3.051,1192 2.951,1193 4.494,1194 2.96,1195 3.123,1196 3.22,1197 2.96,1198 2.855,1199 4.262,1200 2.867,1201 2.988,1202 3.098,1203 2.858,1204 2.684,1205 4.034,1206 2.719,1207 2.874,1208 3.009,1209 2.594,1210 2.636,1211 3.686,1212 2.616,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.76,1219 0.189,1220 3.383,1221 0.034,1222 7.039,1223 0.484,1224 4.302,1225 0.129,1226 3.339,1227 4.732,1228 0.86,1229 12.088,1230 3.218,1231 1.926,1232 1.909,1233 1.993,1234 2.04,1235 1.154,1236 2.021,1237 1.795,1238 1.749,1239 1.945,1240 1.989,1241 1.115,1242 1.973,1243 1.612,1244 1.549,1245 1.774,1246 1.818,1247 0.836,1248 1.815,1249 1.238,1250 1.18,1251 1.576,1252 1.525,1253 0.574,1254 1.54,1255 1.191,1256 1.115,1257 1.564,1258 1.521,1259 0.572,1260 1.534,1261 1.063,1262 0.978,1263 1.417,1264 1.366,1265 0.469,1266 1.348,1267 0.934,1268 0.804,1269 1.244,1270 1.239,1271 0.255,1272 1.308,1273 0.86,1274 0.769,1275 1.142,1276 1.191,1277 0.142,1278 1.181,1279 3.932,1281 5.273,1282 2.398,1283 6.825,1284 4.844,1285 8.475,1286 7.081,1287 10.176,1289 7.294,1293 6.074,1297 10.655,1299 0.153,1305 26.224,1306 68.157,1307 153.617,1308 180.703,1309 187.458,1310 189.458,1311 191.458,1312 32.937,1313 7.053,1314 88.08,1315 88.08,1316 17,1317 12.614,1318 4.087,1319 3.17,1320 36.53,1321 67,1322 74,1323 0.274,1324 163.54,1325 269.68,1326 390.797,1327 9092,1329 16.56,1330 0.72,1331 0.59,1332 16.56,1333 13.569,1334 11.062,1335 0.442,1336 0.291,1337 7.113,1338 10.432,1339 6.814,1340 5.755,1341 11.062,1342 7.275,1343 9.867,1344 0.274,1345 0.15,1346 9.867,1347 5.414,1348 8.628,1349 0.169,1350 0.072,1351 8.628,1352 3.664,1353 7.43,1354 0.106,1355 0.036,1356 7.43,1357 2.541,1358 6.035,1359 0.067,1360 0.019,1361 6.035,1362 1.722,1363 0.41,1364 70.746,1365 0.249,1366 21.854,1367 0.818,1368 122,1369 381.364,1370 137.193,1371 363.05,1372 506.81,1373 342,1374 148,1375 387.384,1376 164.72,1377 392.117,1378 575.5,1379 365,1380 7.097}
{0 CHEMBL1242291,1 1.56,2 10.167,3 3.061,4 9.37,5 93.576,6 8.138,7 0.815,8 3.8,9 3.918,10 3.45,11 3.366,12 5.001,13 3.37,14 4.256,15 4.397,16 3.781,17 3.729,18 5.424,19 3.716,20 4.429,21 4.602,22 3.79,23 3.789,24 5.527,25 3.753,26 4.468,27 4.675,28 3.717,29 3.708,30 5.582,31 3.66,32 4.414,33 4.643,34 3.563,35 3.637,36 5.447,37 3.577,38 4.277,39 4.481,40 3.517,41 3.593,42 5.347,43 3.533,44 4.267,45 4.489,46 3.392,47 3.533,48 5.322,49 3.441,50 4.135,51 4.371,52 3.149,53 3.375,54 5.068,55 3.268,56 0.07,57 0.617,58 6.698,59 3.064,60 9.339,61 3.669,62 0.175,63 0.939,64 11.755,65 5.126,66 17.234,67 6.182,68 0.157,69 1.064,70 15.27,71 6.31,72 19.024,73 7.949,74 0.297,75 1.088,76 17.566,77 6.561,78 31.805,79 8.445,80 0.313,81 0.997,82 17.804,83 5.959,84 30.296,85 7.835,86 0.207,87 0.892,88 14.169,89 5.362,90 21.91,91 7.014,92 0.292,93 0.847,94 14.861,95 5.639,96 27.956,97 7.667,98 0.157,99 0.736,100 13.378,101 5.086,102 19.364,103 6.863,104 2,105 37,106 0.272,107 0.607,108 0.732,109 0.842,110 0.869,111 0.869,112 3.229,113 0.836,114 -4.88,115 -4.79,116 -4.49,119 46.2,125 1,142 9,143 3,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 10,174 1,175 7,177 1,178 2,180 2,183 11,185 1,186 1,187 6,192 1,195 7,198 1,199 6,201 2,202 3,203 1,204 3,206 1,207 3,209 1,211 1,212 7,217 3,220 7,222 2,224 2,227 1,229 2,232 9,234 1,236 2,237 3,239 1,240 1,242 1,245 9,247 1,250 2,255 1,258 6,263 4,268 3,271 3,273 1,275 800,276 16.706,277 16.706,278 16.706,279 16.706,280 16.706,281 14.093,282 10.707,283 10.045,284 17.048,285 13.365,286 13.365,287 13.365,288 13.365,289 13.365,290 9.535,291 11.812,292 4.79,293 13.905,294 3.725,295 1.808,296 1.09,297 0.462,298 0.308,299 0.308,300 3.932,303 1,304 1,305 1,306 542,307 2.345,310 47.47,311 209.798,314 90.651,318 1.583,319 16.59,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 244,332 4.668,333 3.253,334 6.886,335 4.204,336 3.232,337 4.627,338 1.151,339 11.499,340 3.142,341 4.076,342 2.991,343 5.894,344 3.647,345 2.686,346 3.697,348 8.248,349 2.583,350 3.892,351 2.663,352 5.392,353 3.495,354 2.506,355 3.442,357 7.064,358 2.48,359 3.55,360 2.363,361 5.217,362 3.139,363 2.195,364 2.916,366 6.51,367 2.062,368 3.417,369 2.06,370 5.033,371 2.914,372 1.988,373 2.803,375 5.676,376 1.837,377 3.007,378 1.689,379 4.385,380 2.524,381 1.564,382 2.228,384 4.013,385 1.503,386 2.903,387 1.524,388 3.813,389 2.428,390 1.457,391 2.073,393 3.143,394 1.406,395 2.693,396 1.254,397 3.634,398 2.191,399 1.22,400 1.782,402 2.777,403 1.182,404 2.5,405 1,406 3.483,407 2,408 1,409 1.5,411 2.466,412 1,413 2.5,414 1,415 3.306,416 1.96,417 1,418 1.5,420 2.136,421 0.958,422 2.159,423 0.955,424 3.247,425 1.665,426 0.711,427 1.012,428 1.76,429 0.676,430 1.821,431 0.751,432 3.078,433 1.505,434 0.598,435 0.711,436 1.398,437 0.536,438 1.048,439 -0.092,440 2.488,441 0.613,442 -0.308,443 -0.396,445 -0.712,446 -0.282,447 0.937,448 -0.184,449 2.364,450 0.552,451 -0.407,452 -0.514,454 -0.983,455 -0.388,456 0.794,457 -0.564,458 2.297,459 0.361,460 -0.609,461 -0.828,463 -1.562,464 -0.591,465 11.333,466 0.472,467 0.448,468 0.019,469 36.75,470 1.531,471 21,472 0.875,473 15.75,474 0.656,475 14.169,476 0.59,477 24.067,478 0.617,479 24.684,480 1.028,481 7.484,482 0.312,483 4.326,484 0.18,485 0.035,487 0.309,493 0.918,494 1.043,495 0.721,496 0.889,497 1.055,498 0.79,499 1.042,500 0.978,501 0.855,502 0.966,503 0.852,504 0.908,505 1.086,506 1.227,507 0.961,508 1.177,509 0.922,510 1.083,511 1.102,512 1.005,513 0.993,514 1.091,515 0.918,516 1.052,517 1.31,518 0.868,519 1.042,520 0.839,521 1.042,522 0.887,523 1.016,524 1.001,525 1.027,526 1.023,527 1.11,528 1.024,529 0.711,530 0.892,531 1.025,532 1.029,533 0.809,534 1.073,535 0.953,536 0.991,537 1.084,538 1.081,539 0.959,540 1.107,541 3.5,542 0.069,543 2.222,544 1.25,545 1.197,546 0.42,547 0.281,548 0.251,549 0.111,550 0.119,551 6928,552 18606,553 2.187,554 38.5,556 11,558 1,559 3,564 1.667,565 2.118,566 3.318,567 0.998,568 1,569 1,571 1,573 60.859,574 1.56,575 3.478,576 4.195,577 4.824,578 4.978,579 4.978,580 2.721,581 4.252,582 4.557,583 3.465,584 956.348,585 7.854,586 11247.3,587 1,588 1,589 1,590 1,591 206.131,592 1.099,593 4.546,594 0.13,595 0.005,596 0.06,597 0.035,598 0.037,599 0.015,600 0.01,601 0.011,602 0.006,603 0.007,604 0.316,605 0.17,606 1,607 0.382,608 114.308,609 -0.038,610 0.063,611 0.039,612 0.045,613 -0.178,614 0.055,615 0.008,616 0.072,617 -0.023,618 -0.015,619 -0.002,620 -0.028,621 -0.049,622 -0.242,623 -0.057,624 -0.205,625 -0.025,626 -0.149,627 0.099,628 -0.032,629 -0.005,630 -0.129,631 0.159,632 -0.102,633 -0.131,634 0.096,635 -0.016,636 0.129,637 -0.025,638 0.088,639 -0.035,640 -0.024,641 -0.076,642 -0.047,643 -0.131,644 -0.06,645 0.238,646 0.039,647 -0.032,648 -0.024,649 0.132,650 -0.062,651 -0.092,652 -0.088,653 -0.074,654 -0.061,655 -0.106,656 -0.066,657 1.264,658 2.373,659 0.875,660 19.889,661 1.007,662 1.122,663 3.65,664 13.321,665 0.7,666 3.332,667 3.638,668 3.932,669 4.22,670 4.419,671 4.431,672 4.554,673 4.682,674 4.718,675 4.754,676 6.013,677 0.678,678 317.38,679 3.332,680 4.86,681 5.714,682 6.589,683 7.46,684 8.344,685 9.223,686 10.112,687 10.997,688 11.889,689 12.8,693 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,722 1,729 1,731 39,733 22,734 2,735 27,737 42,738 18,739 17,740 3,741 9,746 4,747 5,761 17,762 1,777 1,778 1,781 15,782 5,783 3,784 6,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,840 3,848 24,849 1,854 1,856 1,870 2.6,875 1,877 11.333,878 6.933,879 5.278,880 2.146,881 4.182,882 1.566,883 1.045,884 3.851,885 11.572,886 3.664,887 4.307,888 4.955,889 5.593,890 6.128,891 6.394,892 6.837,893 7.293,894 7.562,895 7.896,896 0.857,897 36,898 8.784,900 3.722,901 7.674,902 16.709,904 13.57,905 2.174,906 52.167,910 141.253,911 119.485,912 99.794,914 11,917 119.485,918 152.253,919 99.794,921 4.592,922 118.183,923 63.72,924 53.226,925 2.328,926 129.482,928 141.253,929 219.279,930 11,933 141.253,934 11,937 34.346,938 134.699,939 50.234,941 141.253,942 110.794,943 119.485,946 141.253,947 25.58,948 93.905,949 16.663,950 94.131,951 141.253,952 110.794,953 119.485,955 0.574,956 0.339,957 0.192,958 0.103,959 19,960 7,961 0.095,962 4,963 1,964 1.095,965 3.744,966 197.671,967 0.095,968 21,969 106.039,974 14.669,975 6.301,976 2.973,977 1.339,978 94.131,979 19.186,980 12.508,981 2.883,984 3.898,986 49.56,987 371.532,988 38,999 39.254,1000 43.777,1001 0.295,1002 0.658,1003 0.794,1004 0.913,1005 0.942,1006 0.942,1007 4.864,1008 1.22,1009 5.673,1010 3.143,1011 4.317,1012 4.994,1013 1.294,1014 6.472,1015 4.242,1016 6.074,1017 1,1018 7.215,1019 2.777,1020 3.761,1021 4.691,1023 7.361,1024 3.662,1025 7.375,1026 1,1027 8.861,1028 2.466,1029 5.883,1030 7.257,1031 1.506,1032 10.504,1033 5.746,1034 8.72,1035 0.711,1036 10.576,1037 2.136,1038 6.217,1039 7.871,1041 12.32,1042 6.058,1043 10.101,1044 0.598,1045 12.336,1046 1.76,1047 7.757,1048 9.837,1049 1.731,1050 14.976,1051 7.568,1052 11.509,1053 -0.308,1054 14.131,1055 1.398,1056 8.52,1057 10.911,1059 17.171,1060 8.307,1061 12.939,1062 -0.407,1063 15.951,1064 -0.712,1065 9.82,1066 12.619,1067 1.968,1068 19.678,1069 9.581,1070 3.232,1071 -0.609,1072 17.791,1073 -0.983,1074 10.794,1075 13.927,1077 22.023,1078 10.529,1079 2.686,1080 11.499,1081 19.647,1082 -1.562,1083 12,1084 15.524,1085 2.214,1086 24.484,1087 11.708,1088 2.506,1089 8.248,1090 21.516,1091 4.627,1092 13.074,1093 16.948,1095 26.888,1096 12.755,1097 2.195,1098 7.064,1099 23.395,1100 3.697,1101 14.247,1102 18.5,1103 2.468,1104 29.335,1105 13.9,1106 1.988,1107 6.51,1108 25.284,1109 3.442,1110 15.369,1111 19.979,1113 31.762,1114 14.995,1115 1.564,1116 5.676,1117 27.179,1118 2.916,1119 16.533,1120 21.515,1121 2.727,1122 34.204,1123 16.131,1124 1.457,1125 4.013,1126 29.081,1127 2.803,1128 17.678,1129 23.021,1131 36.64,1132 17.248,1133 6456,1134 10727,1135 18.781,1136 27.29,1137 40.597,1138 40.518,1139 40.96,1140 40.32,1141 40.314,1142 56.582,1143 2.302,1144 113.376,1145 38.725,1146 5.493,1147 5.253,1148 6.688,1149 5.277,1150 5.232,1151 7.627,1152 2.302,1153 18.703,1154 5.142,1155 6.09,1156 1.504,1157 1.501,1158 1.517,1159 1.493,1160 1.493,1161 2.096,1162 0.085,1163 4.199,1164 1.434,1165 4.11,1166 4.156,1167 4.089,1168 3.98,1169 5.28,1170 3.999,1171 3.916,1172 3.946,1173 3.848,1174 3.842,1175 4.932,1176 3.838,1177 3.81,1178 3.842,1179 3.751,1180 3.71,1181 4.841,1182 3.721,1183 3.304,1184 3.398,1185 3.241,1186 3.058,1187 4.71,1188 3.08,1189 3.214,1190 3.265,1191 3.09,1192 2.987,1193 4.509,1194 3.01,1195 3.016,1196 3.113,1197 2.913,1198 2.755,1199 4.257,1200 2.789,1201 2.854,1202 2.925,1203 2.689,1204 2.735,1205 3.75,1206 2.715,1207 2.823,1208 2.889,1209 2.687,1210 2.702,1211 3.674,1212 2.693,1213 0.173,1214 0.12,1215 0.255,1216 0.156,1217 0.12,1218 4.668,1219 0.171,1220 3.253,1221 0.043,1222 6.886,1223 0.426,1224 4.204,1225 0.116,1226 3.232,1227 4.627,1228 1.151,1229 11.499,1230 3.142,1231 1.939,1232 1.919,1233 2.044,1234 2.038,1235 1.15,1236 2.035,1237 1.892,1238 1.864,1239 1.996,1240 1.989,1241 1.107,1242 1.988,1243 1.753,1244 1.711,1245 1.82,1246 1.928,1247 0.861,1248 1.911,1249 1.271,1250 1.206,1251 1.455,1252 1.598,1253 0.607,1254 1.544,1255 1.172,1256 1.113,1257 1.368,1258 1.412,1259 0.317,1260 1.42,1261 0.929,1262 0.848,1263 1.181,1264 1.219,1265 0.218,1266 1.211,1267 0.886,1268 0.821,1269 1.172,1270 1.125,1271 0.153,1272 1.127,1273 0.827,1274 0.777,1275 1.092,1276 1.062,1277 0.047,1278 1.107,1279 4.007,1281 5.313,1282 2.398,1283 6.823,1284 4.727,1285 8.426,1286 6.862,1287 10.076,1293 5.969,1295 0.511,1297 5.873,1305 26.456,1306 60.859,1307 135.627,1308 163.601,1309 188.131,1310 194.131,1311 194.131,1312 27.69,1313 7.39,1314 89.71,1315 89.71,1316 23,1317 12.418,1318 4.524,1319 3.585,1320 33.949,1321 86,1322 88,1323 0.192,1324 162.553,1325 264.31,1326 388.389,1327 16884,1329 16.355,1330 0.681,1331 0.534,1332 16.355,1333 12.808,1334 11.81,1335 0.437,1336 0.279,1337 7.422,1338 11.381,1339 7.284,1340 6.054,1341 11.81,1342 7.528,1343 10.361,1344 0.28,1345 0.145,1346 10.361,1347 5.357,1348 8.938,1349 0.179,1350 0.075,1351 8.938,1352 3.743,1353 7.74,1354 0.116,1355 0.038,1356 7.74,1357 2.565,1358 6.204,1359 0.076,1360 0.02,1361 6.204,1362 1.663,1363 0.301,1364 73.871,1365 0.231,1366 23.512,1367 0.525,1368 128,1369 368.316,1370 139.619,1371 363.078,1372 509.13,1373 342,1374 151,1375 388.68,1376 163.425,1377 395.555,1378 576.66,1379 372,1380 4.77}
{0 CHEMBL1242292,1 1.778,2 10.308,3 4.39,4 19.27,5 103.186,6 9.904,7 0.759,8 3.814,9 3.916,10 3.617,11 3.423,12 5.049,13 3.425,14 4.274,15 4.395,16 4.014,17 3.808,18 5.503,19 3.794,20 4.459,21 4.597,22 4.127,23 3.912,24 5.647,25 3.872,26 4.514,27 4.667,28 4.169,29 3.842,30 5.807,31 3.787,32 4.429,33 4.641,34 3.725,35 3.698,36 5.506,37 3.634,38 4.295,39 4.478,40 3.81,41 3.683,42 5.443,43 3.625,44 4.301,45 4.483,46 3.741,47 3.662,48 5.468,49 3.566,50 4.165,51 4.366,52 3.563,53 3.506,54 5.216,55 3.401,56 0.127,57 0.595,58 4.041,59 2.805,60 10.411,61 2.938,62 0.269,63 0.905,64 8.371,65 4.896,66 19.377,67 5.2,68 0.333,69 1.011,70 14.535,71 6.48,72 26.143,73 6.974,74 0.647,75 1.035,76 26.499,77 7.24,78 50.079,79 7.624,80 0.47,81 0.981,82 18.753,83 6.488,84 36.956,85 7.294,86 0.32,87 0.867,88 12.46,89 5.535,90 25.408,91 6.369,92 0.435,93 0.805,94 18.054,95 6.078,96 34.45,97 7.074,98 0.3,99 0.704,100 15.239,101 5.504,102 25.822,103 6.456,104 10,105 41,106 0.31,107 0.67,108 0.781,109 0.86,110 0.869,111 0.869,112 3.304,113 0.879,114 -5.61,115 -5.48,116 -5.11,119 46.2,125 1,142 7,143 3,144 3,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 6,174 1,175 7,177 1,178 2,180 2,183 12,185 1,186 1,187 4,192 1,195 7,198 1,199 8,201 2,202 3,203 1,204 3,206 1,207 6,209 1,211 1,212 7,217 3,220 3,222 2,224 2,227 1,229 2,232 9,234 1,236 2,237 3,239 1,240 1,242 1,245 11,247 1,255 1,258 6,263 6,268 1,271 5,273 1,275 920,276 17.706,277 17.706,278 17.706,279 17.706,280 17.706,281 14.987,282 11.219,283 10.341,284 18.269,285 14.293,286 14.293,287 14.293,288 14.293,289 14.293,290 10.306,291 10.684,292 4.858,293 15.301,294 3.507,295 1.446,296 0.812,297 0.359,298 0.308,299 0.308,300 4.002,301 2,304 1,305 1,306 588,307 2.55,310 52.202,311 229.857,314 99.578,318 1.592,319 24.646,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 56.167,331 268,332 4.668,333 3.412,334 6.886,335 4.204,336 3.232,337 4.627,338 1.151,339 11.499,340 3.142,341 4.328,342 3.25,343 6.391,344 3.889,345 2.966,346 3.987,348 9.638,349 2.689,350 4.066,351 2.88,352 5.893,353 3.625,354 2.66,355 3.692,357 8.241,358 2.563,359 3.558,360 2.623,361 5.278,362 3.154,363 2.218,364 2.919,366 6.634,367 2.068,368 3.417,369 2.427,370 5.033,371 2.914,372 1.989,373 2.803,375 5.676,376 1.837,377 3.232,378 2.066,379 4.841,380 2.707,381 1.879,382 2.481,384 5.104,385 1.51,386 3.01,387 1.879,388 4.391,389 2.537,390 1.581,391 2.229,393 4.047,394 1.441,395 2.903,396 1.539,397 4.036,398 2.428,399 1.459,400 2.075,402 3.556,403 1.406,404 2.694,405 1.294,406 3.81,407 2.193,408 1.223,409 1.784,411 2.784,412 1.183,413 2.5,414 1.218,415 3.49,416 1.96,417 1,418 1.5,420 2.467,421 0.958,422 2.16,423 1,424 3.307,425 1.685,426 0.804,427 1.015,428 1.826,429 0.683,430 1.996,431 0.758,432 3.242,433 1.652,434 0.706,435 0.925,436 1.741,437 0.65,438 1.21,439 0.702,440 2.575,441 0.827,447 1.047,448 0.173,449 2.473,450 0.608,451 -0.309,452 -0.397,454 -0.714,455 -0.229,456 1,457 -0.183,458 2.363,459 0.473,460 -0.347,461 -0.445,463 -0.757,464 -0.283,465 12.762,466 0.491,467 0.627,468 0.024,469 38.25,470 1.471,471 21,472 0.808,473 17.25,474 0.663,475 18.475,476 0.711,477 26.238,478 0.673,479 26.595,480 1.023,481 7.66,482 0.295,483 4.971,484 0.191,485 0.143,487 0.353,493 0.806,494 1.035,495 0.513,496 0.73,497 0.885,498 0.693,499 0.932,500 0.958,501 0.619,502 0.779,503 0.748,504 0.785,505 1.133,506 1.206,507 0.937,508 1.045,509 1.006,510 1.003,511 1.053,512 1.024,513 1.235,514 1.316,515 1.015,516 1.22,517 1.137,518 0.875,519 0.823,520 0.823,521 0.964,522 0.918,523 0.906,524 0.984,525 0.696,526 0.836,527 0.881,528 0.91,529 0.973,530 0.879,531 1.203,532 1.067,533 1.042,534 1.128,535 1.045,536 0.972,537 1.036,538 1.003,539 1.036,540 1.072,541 4.5,542 0.208,543 3.333,544 2,545 1.419,546 0.643,547 0.362,548 0.296,549 0.201,550 0.15,551 8290,552 28572,553 2.124,554 33.3,556 9,558 1,559 3,564 1.689,565 2,566 3.315,567 1.012,569 1,573 69.357,574 1.778,575 3.839,576 4.474,577 4.926,578 4.978,579 4.978,580 2.671,581 4.027,582 4.677,583 3.499,584 1137.04,585 8.094,586 14245.5,588 1,590 1,591 206.131,592 1.37,593 4.637,594 0.155,595 0.01,596 0.081,597 0.048,598 0.038,599 0.021,600 0.012,601 0.011,602 0.009,603 0.008,604 0.393,605 0.17,606 0.88,607 0.54,608 127.19,609 -0.08,610 0.072,611 -0.004,612 0.058,613 -0.184,614 0.058,615 -0.05,616 0.093,617 0.014,618 0.071,619 -0.011,620 0.031,621 -0.142,622 -0.227,623 -0.056,624 -0.113,625 -0.111,626 -0.106,627 0.166,628 -0.061,629 -0.092,630 -0.331,631 0.126,632 -0.289,633 -0.161,634 0.107,635 -0.037,636 0.14,637 -0.09,638 0.093,639 -0.043,640 0.003,641 0.062,642 0.104,643 -0.027,644 0.06,645 0.025,646 0.047,647 -0.153,648 -0.05,649 -0.053,650 -0.11,651 -0.136,652 -0.069,653 -0.029,654 0.032,655 -0.129,656 -0.002,657 1.298,658 2.365,659 0.808,660 21.107,661 1.023,662 1.12,663 4.378,664 19.163,665 0.744,666 3.401,667 3.738,668 4.043,669 4.317,670 4.489,671 4.533,672 4.615,673 4.754,674 4.804,675 4.883,676 6.255,677 0.721,678 386.26,679 3.401,680 4.949,681 5.814,682 6.701,683 7.579,684 8.471,685 9.354,686 10.248,687 11.135,688 12.03,689 12.8,693 1,697 1,699 3,703 2,704 8,705 3,706 1,709 7,711 22,722 1,729 1,730 2,731 39,733 22,734 2,735 29,737 42,738 18,739 17,740 5,741 7,746 4,747 5,748 2,761 17,762 1,778 1,781 13,782 5,783 3,784 8,785 2,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,840 3,845 2,848 26,849 1,854 1,856 1,869 2,870 2.6,875 1,877 13,878 7.052,879 5.667,880 2.12,881 4.308,882 1.568,883 1.036,884 4.678,885 11.89,886 3.714,887 4.385,888 5.036,889 5.661,890 6.177,891 6.466,892 6.867,893 7.321,894 7.596,895 7.951,896 0.857,897 42,898 9.506,900 4.071,901 7.797,902 17.83,904 14.534,905 2.297,906 59.722,910 117.711,911 107.533,912 99.794,913 78.297,914 11,917 107.533,918 207.008,919 99.794,921 4.592,922 99.231,923 63.72,924 60.227,925 2.328,926 105.94,927 78.297,928 117.711,929 207.328,930 11,931 78.297,933 117.711,934 11,937 34.346,938 122.748,939 128.531,941 117.711,942 110.794,943 185.831,946 117.711,947 32.581,948 74.952,949 16.663,950 172.428,951 117.711,952 110.794,953 185.831,955 0.586,956 0.353,957 0.195,958 0.098,959 21,960 9,961 0.095,962 4,963 1,964 1.095,965 3.813,966 223.027,967 0.095,968 21,969 116.211,974 17.095,975 7.114,976 3.367,977 1.264,978 94.131,979 14.255,980 12.475,981 2.863,984 4.399,986 49.56,987 414.336,988 40,999 39.902,1000 43.665,1001 0.336,1002 0.726,1003 0.846,1004 0.932,1005 0.942,1006 0.942,1007 4.938,1008 1.459,1009 5.802,1010 4.047,1011 4.419,1012 5.072,1013 1.294,1014 6.635,1015 4.287,1016 6.17,1017 1.223,1018 7.375,1019 3.556,1020 4.007,1021 4.913,1023 7.594,1024 3.778,1025 7.492,1026 1,1027 9.051,1028 2.784,1029 6.028,1030 7.365,1031 1.506,1032 10.722,1033 5.804,1034 8.856,1035 0.804,1036 10.789,1037 2.467,1038 6.463,1039 8.069,1041 12.55,1042 6.161,1043 10.252,1044 0.706,1045 12.568,1046 1.826,1047 7.944,1048 9.969,1049 1.731,1050 15.196,1051 7.64,1052 11.674,1054 14.376,1055 1.741,1056 8.768,1057 11.088,1059 17.374,1060 8.404,1061 13.115,1062 -0.309,1063 16.206,1065 10.039,1066 12.759,1067 1.968,1068 19.866,1069 9.662,1070 3.232,1071 -0.347,1072 18.051,1073 -0.714,1074 11.041,1075 14.083,1077 22.188,1078 10.618,1079 2.966,1080 11.499,1081 19.909,1082 -0.757,1083 12.23,1084 15.657,1085 2.214,1086 24.631,1087 11.788,1088 2.66,1089 9.638,1090 21.778,1091 4.627,1092 13.313,1093 17.08,1095 27.014,1096 12.835,1097 2.218,1098 8.241,1099 23.654,1100 3.987,1101 14.474,1102 18.616,1103 2.468,1104 29.444,1105 13.973,1106 1.989,1107 6.634,1108 25.537,1109 3.692,1110 15.593,1111 20.088,1113 31.854,1114 15.063,1115 1.879,1116 5.676,1117 27.426,1118 2.919,1119 16.746,1120 21.611,1121 2.727,1122 34.284,1123 16.192,1124 1.581,1125 5.104,1126 29.319,1127 2.803,1128 17.883,1129 23.108,1131 36.707,1132 17.304,1133 7816,1134 14641,1135 19.592,1136 29.006,1137 43.961,1138 44.787,1139 45.332,1140 43.798,1141 43.439,1142 60.076,1143 2.302,1144 126.427,1145 40.257,1146 5.505,1147 5.412,1148 6.438,1149 5.277,1150 5.232,1151 7.627,1152 2.302,1153 18.703,1154 5.142,1155 11.314,1156 1.516,1157 1.544,1158 1.563,1159 1.51,1160 1.498,1161 2.072,1162 0.079,1163 4.36,1164 1.388,1165 4.11,1166 4.156,1167 4.116,1168 3.981,1169 5.28,1170 4,1171 3.928,1172 3.943,1173 4.071,1174 3.874,1175 5.023,1176 3.866,1177 3.813,1178 3.841,1179 3.772,1180 3.711,1181 4.923,1182 3.723,1183 3.304,1184 3.398,1185 3.582,1186 3.059,1187 4.787,1188 3.08,1189 3.214,1190 3.265,1191 3.242,1192 2.988,1193 4.632,1194 3.011,1195 3.016,1196 3.113,1197 3.095,1198 2.849,1199 4.512,1200 2.815,1201 2.901,1202 2.918,1203 3.042,1204 2.755,1205 4.264,1206 2.79,1207 2.827,1208 2.889,1209 2.908,1210 2.709,1211 4.115,1212 2.7,1213 0.161,1214 0.118,1215 0.237,1216 0.145,1217 0.111,1218 4.668,1219 0.16,1220 3.412,1221 0.04,1222 6.886,1223 0.397,1224 4.204,1225 0.108,1226 3.232,1227 4.627,1228 1.151,1229 11.499,1230 3.142,1231 1.937,1232 1.919,1233 2.016,1234 2.034,1235 1.15,1236 2.027,1237 1.882,1238 1.866,1239 1.946,1240 1.97,1241 1.107,1242 1.964,1243 1.753,1244 1.711,1245 1.819,1246 1.916,1247 0.861,1248 1.908,1249 1.271,1250 1.206,1251 1.454,1252 1.598,1253 0.606,1254 1.544,1255 1.172,1256 1.113,1257 1.368,1258 1.412,1259 0.317,1260 1.42,1261 0.929,1262 0.848,1263 1.172,1264 1.219,1265 0.152,1266 1.211,1267 0.849,1268 0.827,1269 1.091,1270 1.125,1271 0.105,1272 1.127,1273 0.825,1274 0.777,1275 1.063,1276 0.99,1277 0.047,1278 1.021,1279 4.078,1281 5.407,1282 2.398,1283 6.938,1284 4.727,1285 8.562,1286 6.862,1287 10.232,1290 12.369,1293 5.973,1295 0.258,1297 5.865,1305 28.111,1306 69.357,1307 149.724,1308 174.479,1309 192.131,1310 194.131,1311 194.131,1312 37.028,1313 7.582,1314 89.71,1315 89.71,1316 23,1317 12.557,1318 4.524,1319 3.585,1320 38.113,1321 100,1322 80,1323 0.189,1324 179.219,1325 294.73,1326 429.053,1327 21576,1328 5.1,1329 18.096,1330 0.696,1331 0.574,1332 19.096,1333 14.921,1334 12.631,1335 0.436,1336 0.293,1337 7.693,1338 11.618,1339 7.488,1340 6.167,1341 13.208,1342 8.495,1343 11.406,1344 0.278,1345 0.156,1346 12.148,1347 6.386,1348 9.919,1349 0.177,1350 0.083,1351 10.636,1352 4.648,1353 8.54,1354 0.115,1355 0.043,1356 9.288,1357 3.157,1358 6.454,1359 0.073,1360 0.021,1361 6.764,1362 1.863,1363 0.297,1364 85.15,1365 0.226,1366 25.048,1367 0.518,1368 140,1369 436.723,1370 182.658,1371 486.972,1372 653.01,1373 454,1374 167,1375 444.406,1376 202.845,1377 470.279,1378 689.7,1379 442,1380 4}
{0 CHEMBL1242293,1 1.511,2 7.364,3 1.628,4 2.652,5 85.445,6 7.929,7 0.8,8 3.758,9 3.898,10 3.39,11 3.265,12 4.922,13 3.275,14 4.254,15 4.44,16 3.784,17 3.663,18 5.363,19 3.661,20 4.426,21 4.633,22 3.811,23 3.739,24 5.518,25 3.721,26 4.496,27 4.731,28 3.775,29 3.75,30 5.6,31 3.71,32 4.403,33 4.621,34 3.603,35 3.685,36 5.426,37 3.622,38 4.341,39 4.55,40 3.589,41 3.627,42 5.478,43 3.565,44 4.437,45 4.71,46 3.326,47 3.526,48 5.426,49 3.414,50 4.246,51 4.57,52 2.977,53 3.225,54 5.11,55 3.077,56 0.071,57 0.654,58 6.931,59 2.648,60 8.881,61 3.598,62 0.197,63 1.013,64 12.99,65 4.554,66 17.242,67 6.415,68 0.2,69 1.138,70 16.22,71 5.008,72 18.629,73 7.361,74 0.373,75 1.16,76 18.661,77 5.585,78 33.635,79 8.181,80 0.222,81 1.054,82 16.189,83 5.243,84 20.606,85 7.589,86 0.224,87 1.009,88 14.752,89 5.122,90 27.347,91 7.304,92 0.287,93 0.959,94 19.094,95 5.422,96 35.011,97 8.328,98 0.312,99 0.706,100 17.918,101 5.013,102 29.848,103 7.915,104 11,105 37,106 0.268,107 0.689,108 0.82,109 0.83,110 0.83,111 0.83,112 3.149,113 0.849,114 -4.08,115 -4.03,116 -3.82,119 40.5,120 2,127 1,142 2,143 3,145 1,146 1,147 1,148 1,151 1,161 2,163 1,164 1,165 1,166 1,172 3,174 2,175 9,177 1,178 2,180 3,183 4,185 1,186 1,187 6,192 1,195 2,198 3,199 7,201 3,202 3,204 2,207 3,209 1,211 1,212 4,217 1,220 3,222 1,223 2,224 5,226 1,227 2,229 4,232 2,234 3,237 4,240 1,242 1,245 2,247 1,253 2,254 1,257 1,258 2,268 2,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.31,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 12.948,294 3.699,295 1.318,296 0.581,297 0.527,298 0.527,299 0.527,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 16.75,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 162,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.219,341 4.414,342 2.939,343 6.253,344 3.896,345 2.93,346 4.353,348 9.393,349 2.831,350 3.852,351 2.666,352 6.073,353 3.512,354 2.557,355 3.301,357 8.572,358 2.441,359 3.746,360 2.404,361 5.713,362 3.329,363 2.37,364 3.179,366 7.457,367 2.27,368 3.056,369 1.822,370 4.82,371 2.684,372 1.743,373 2.328,375 4.819,376 1.637,377 3.034,378 1.55,379 4.518,380 2.488,381 1.55,382 2.3,384 4.378,385 1.451,386 3.009,387 1.533,388 4.333,389 2.479,390 1.533,391 2.133,393 4.044,394 1.445,395 2.636,396 1.155,397 3.864,398 2.093,399 1.153,400 1.7,402 2.795,403 1.082,404 2.47,405 1,406 3.509,407 1.959,408 1,409 1.457,411 2.398,412 0.957,413 2.133,414 0.837,415 3.419,416 1.765,417 0.806,418 1.036,420 2.014,421 0.771,422 1.885,423 0.401,424 3.036,425 1.339,426 0.396,427 0.588,428 0.984,429 0.373,430 1.061,431 -0.155,432 2.652,433 0.627,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.371,442 -0.59,443 -0.818,445 -1.644,446 -0.565,447 0.628,448 -0.797,449 2.259,450 0.103,451 -0.841,452 -1,454 -2,455 -0.787,456 0.545,457 -0.907,458 2.206,459 0.024,460 -0.922,461 -1.149,463 -2.365,464 -0.874,465 10.3,466 0.468,467 0.61,468 0.028,469 32,470 1.455,471 16.5,472 0.75,473 15.5,474 0.705,475 15.447,476 0.702,477 22.7,478 0.614,479 21.295,480 0.968,481 6.117,482 0.278,483 4.531,484 0.206,485 0.136,487 0.427,493 0.967,494 1.339,495 0.736,496 1.004,497 1.093,498 0.86,499 0.804,500 1.07,501 0.675,502 0.862,503 0.633,504 0.766,505 1.151,506 1.281,507 0.89,508 1.005,509 0.841,510 0.92,511 1.028,512 0.815,513 0.944,514 0.817,515 1.014,516 0.857,517 1.172,518 1.127,519 1.155,520 1.129,521 1.041,522 1.137,523 0.906,524 1.185,525 1.127,526 1.28,527 1.139,528 1.249,529 1.205,530 1.029,531 1.209,532 1.095,533 1.524,534 1.143,535 0.827,536 0.59,537 0.885,538 0.725,539 0.827,540 0.8,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 11997,553 2.148,554 40.5,556 3,557 1,558 2,559 3,561 6,564 1.652,565 2,566 2.918,567 1.114,568 1,569 1,571 1,573 55.892,574 1.511,575 3.891,576 4.628,577 4.682,578 4.682,579 4.682,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,590 1,591 192.75,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.67,606 1,607 0.797,608 98.122,609 -0.052,610 -0.143,611 0.052,612 -0.019,613 -0.196,614 0.026,615 0.162,616 0.04,617 0.196,618 0.113,619 0.172,620 0.153,621 -0.129,622 -0.219,623 0.022,624 -0.054,625 0.031,626 -0.001,627 0.06,628 0.212,629 0.016,630 0.12,631 0.057,632 0.071,633 -0.216,634 -0.097,635 -0.237,636 -0.158,637 -0.145,638 -0.194,639 0.044,640 -0.139,641 -0.224,642 -0.31,643 -0.007,644 -0.313,645 -0.186,646 -0.118,647 -0.186,648 -0.142,649 -0.326,650 -0.16,651 0.15,652 0.198,653 0.241,654 0.261,655 0.188,656 0.265,657 1.235,658 2.069,659 0.818,660 14.281,661 1.007,662 1.139,663 2.854,664 8.145,665 0.678,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.656,678 293.37,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 18.9,693 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,722 1,731 37,733 20,735 25,737 40,738 15,739 12,746 4,747 6,752 2,758 1,761 12,762 3,777 1,778 1,781 15,782 5,783 3,784 7,790 7,794 0.5,803 1,805 1,806 1,807 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,877 11,878 7.333,879 4.694,880 2.209,881 4.036,882 1.548,883 1.047,884 2.876,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.064,900 3.484,901 7.659,902 15.387,904 12.822,905 2.159,906 47.5,910 141.253,911 80.163,912 118.479,917 80.163,918 141.253,919 118.479,920 17.65,922 60.897,923 93.992,924 47.316,925 14.099,926 105.94,928 141.253,929 198.642,933 70.627,934 70.627,937 60.066,938 71.557,939 67.02,941 141.253,942 118.479,943 80.163,946 141.253,947 16.847,948 65.093,949 16.786,950 99.917,951 141.253,952 118.479,953 80.163,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.05,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 94.107,974 13.225,975 4.784,976 1.994,977 3.389,978 99.917,979 9.141,980 17.566,981 3.084,984 2.094,985 1.865,986 49.683,987 339.895,988 35,999 37.247,1000 42.149,1001 0.29,1002 0.747,1003 0.888,1004 0.899,1005 0.899,1006 0.899,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.228,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.897,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.814,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.323,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.732,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.603,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.831,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.858,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 12.026,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.121,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.272,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.398,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.547,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.689,1133 4398,1134 7212,1135 16.819,1136 25.086,1137 39.193,1138 38.662,1139 40.034,1140 38.751,1141 38.753,1142 54.225,1144 117.881,1145 36.951,1146 5.437,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.194,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.55,1160 1.55,1161 2.169,1163 4.715,1164 1.478,1165 4.165,1166 4.21,1167 4.143,1168 4.036,1169 5.261,1170 4.056,1171 4.014,1172 4.066,1173 3.982,1174 3.854,1175 5.058,1176 3.882,1177 3.578,1178 3.656,1179 3.445,1180 3.413,1181 4.851,1182 3.404,1183 3.409,1184 3.468,1185 3.337,1186 3.256,1187 4.519,1188 3.27,1189 3.108,1190 3.209,1191 2.994,1192 2.838,1193 4.308,1194 2.872,1195 2.975,1196 3.081,1197 2.859,1198 2.674,1199 4.066,1200 2.711,1201 2.874,1202 3.009,1203 2.741,1204 2.619,1205 3.848,1206 2.641,1207 2.845,1208 2.927,1209 2.499,1210 2.618,1211 3.662,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.303,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.219,1231 1.924,1232 1.898,1233 1.978,1234 2.044,1235 1.152,1236 2.023,1237 1.796,1238 1.746,1239 1.942,1240 1.995,1241 1.1,1242 1.974,1243 1.613,1244 1.549,1245 1.768,1246 1.82,1247 0.842,1248 1.814,1249 1.464,1250 1.396,1251 1.639,1252 1.693,1253 0.61,1254 1.687,1255 1.184,1256 1.128,1257 1.417,1258 1.413,1259 0.469,1260 1.388,1261 0.934,1262 0.818,1263 1.29,1264 1.245,1265 0.354,1266 1.308,1267 0.913,1268 0.804,1269 1.179,1270 1.239,1271 0.058,1272 1.237,1273 0.769,1274 0.693,1275 0.992,1276 1.089,1277 0.014,1278 1.074,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.115,1293 6.069,1299 0.175,1305 24.257,1306 55.892,1307 143.979,1308 171.24,1309 173.24,1310 173.24,1311 173.24,1312 25.706,1313 7.358,1314 98.3,1315 98.3,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 149.223,1325 230.9,1326 355.864,1327 14040,1329 15.267,1330 0.694,1331 0.558,1332 15.267,1333 12.278,1334 10.648,1335 0.426,1336 0.283,1337 6.958,1338 10.19,1339 6.756,1340 5.641,1341 10.648,1342 7.071,1343 9.981,1344 0.27,1345 0.148,1346 9.981,1347 5.484,1348 8.729,1349 0.165,1350 0.069,1351 8.729,1352 3.681,1353 7.769,1354 0.104,1355 0.035,1356 7.769,1357 2.627,1358 6.227,1359 0.066,1360 0.018,1361 6.227,1362 1.719,1363 0.361,1364 66.938,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 339.871,1370 136.933,1371 338.169,1372 483.89,1373 318,1374 152,1375 385.73,1376 166.46,1377 390.52,1378 577.7,1379 368,1380 6.921}
{0 CHEMBL1242294,1 1.471,2 7.364,3 2.72,4 7.396,5 87.65,6 7.694,7 0.8,8 3.772,9 3.911,10 3.381,11 3.307,12 4.909,13 3.302,14 4.272,15 4.453,16 3.776,17 3.711,18 5.348,19 3.693,20 4.462,21 4.671,22 3.802,23 3.803,24 5.51,25 3.765,26 4.538,27 4.77,28 3.773,29 3.812,30 5.604,31 3.752,32 4.453,33 4.68,34 3.595,35 3.735,36 5.436,37 3.658,38 4.37,39 4.576,40 3.576,41 3.68,42 5.453,43 3.607,44 4.475,45 4.745,46 3.32,47 3.601,48 5.436,49 3.471,50 4.307,51 4.626,52 2.986,53 3.322,54 5.122,55 3.142,56 0.055,57 0.647,58 7.452,59 2.907,60 9.079,61 3.963,62 0.141,63 1.017,64 13.597,65 5.008,66 15.86,67 7.04,68 0.163,69 1.168,70 17.409,71 5.736,72 18.407,73 8.325,74 0.297,75 1.213,76 19.746,77 6.406,78 31.47,79 9.324,80 0.181,81 1.095,82 17.883,83 5.816,84 22.392,85 8.483,86 0.133,87 1.04,88 15.657,89 5.462,90 22.779,91 7.842,92 0.246,93 1.026,94 19.873,95 6.088,96 34.814,97 9.145,98 0.226,99 0.778,100 18.535,101 6.159,102 26.067,103 9.396,104 11,105 37,106 0.259,107 0.675,108 0.788,109 0.825,110 0.835,111 0.835,112 3.149,113 0.865,114 -4.28,115 -4.22,116 -3.98,119 42.1,120 2,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 4,183 7,185 1,186 1,187 5,192 2,195 6,198 2,199 8,201 3,202 3,204 2,207 5,209 1,212 7,217 2,220 3,222 2,224 7,227 1,229 5,232 4,234 4,237 2,240 1,242 1,245 4,247 1,253 2,254 1,257 1,258 2,268 2,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.255,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 12.855,294 3.777,295 1.419,296 0.777,297 0.566,298 0.513,299 0.513,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 14.774,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 162,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.414,342 2.939,343 6.253,344 3.91,345 2.93,346 4.353,348 9.393,349 2.869,350 3.852,351 2.666,352 6.073,353 3.514,354 2.557,355 3.301,357 8.572,358 2.445,359 3.746,360 2.404,361 5.713,362 3.331,363 2.37,364 3.179,366 7.457,367 2.274,368 3.056,369 1.822,370 4.82,371 2.685,372 1.743,373 2.328,375 4.819,376 1.638,377 3.034,378 1.55,379 4.518,380 2.526,381 1.55,382 2.3,384 4.378,385 1.518,386 3.009,387 1.533,388 4.333,389 2.486,390 1.533,391 2.133,393 4.044,394 1.45,395 2.636,396 1.155,397 3.864,398 2.095,399 1.153,400 1.7,402 2.795,403 1.083,404 2.47,405 1,406 3.509,407 1.962,408 1,409 1.457,411 2.398,412 0.959,413 2.133,414 0.837,415 3.419,416 1.769,417 0.806,418 1.036,420 2.014,421 0.775,422 1.885,423 0.401,424 3.036,425 1.366,426 0.396,427 0.588,428 0.984,429 0.384,430 1.061,431 -0.155,432 2.652,433 0.628,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.381,442 -0.59,443 -0.818,445 -1.644,446 -0.571,447 0.628,448 -0.797,449 2.259,450 0.117,451 -0.841,452 -1,454 -2,455 -0.791,456 0.545,457 -0.907,458 2.206,459 0.045,460 -0.922,461 -1.149,463 -2.365,464 -0.905,465 10.4,466 0.473,467 0.61,468 0.028,469 31.5,470 1.432,471 16.5,472 0.75,473 15,474 0.682,475 15.742,476 0.716,477 22.6,478 0.595,479 21,480 0.955,481 6.037,482 0.274,483 4.611,484 0.21,485 0.135,487 0.423,493 0.962,494 1.234,495 0.764,496 0.96,497 1.126,498 0.855,499 0.8,500 1.088,501 0.701,502 0.89,503 0.604,504 0.8,505 1.141,506 1.166,507 0.914,508 0.965,509 0.823,510 0.916,511 0.981,512 0.902,513 0.953,514 0.91,515 0.981,516 0.924,517 1.272,518 1.075,519 1.144,520 1.046,521 1.07,522 1.071,523 1.106,524 1.292,525 1.171,526 1.273,527 1.25,528 1.239,529 1.234,530 0.976,531 1.242,532 1.085,533 1.642,534 1.15,535 0.51,536 0.737,537 0.826,538 0.914,539 0.609,540 0.917,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 11393,553 2.148,554 42.1,556 5,557 1,558 1,559 3,561 6,564 1.652,565 2,566 2.918,567 1.069,568 1,569 1,571 1,573 55.911,574 1.471,575 3.829,576 4.471,577 4.682,578 4.735,579 4.735,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,589 1,590 1,591 199.421,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.5,606 1,607 0.797,608 98.122,609 -0.015,610 -0.053,611 0.053,612 0.019,613 -0.201,614 0.042,615 0.165,616 0.014,617 0.181,618 0.088,619 0.182,620 0.128,621 -0.104,622 -0.106,623 0.009,624 -0.01,625 0.033,626 0.012,627 0.1,628 0.126,629 0.007,630 0.037,631 0.08,632 0.013,633 -0.267,634 -0.056,635 -0.202,636 -0.085,637 -0.142,638 -0.125,639 -0.138,640 -0.247,641 -0.261,642 -0.308,643 -0.111,644 -0.304,645 -0.199,646 -0.038,647 -0.235,648 -0.132,649 -0.381,650 -0.179,651 0.315,652 0.054,653 0.254,654 0.106,655 0.293,656 0.159,657 1.207,658 2.09,659 0.818,660 14.281,661 1.001,662 1.133,663 3.051,664 9.306,665 0.68,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.652,678 292.38,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 15.8,693 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,722 1,731 38,733 20,734 1,735 25,737 41,738 16,739 13,740 3,741 3,746 4,747 6,752 2,758 1,761 13,762 3,777 1,778 1,781 16,782 4,783 3,784 6,790 6,794 0.5,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,877 11,878 7.467,879 4.694,880 2.287,881 4.036,882 1.548,883 1.051,884 2.91,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.074,900 3.485,901 7.614,902 15.517,904 13.014,905 2.114,906 46.5,910 153.024,911 90.497,912 101.693,917 90.497,918 153.024,919 101.693,920 17.65,922 79.85,923 63.72,924 38.269,925 16.243,926 129.482,928 153.024,929 192.19,933 82.398,934 70.627,937 49.303,938 92.653,939 50.234,941 153.024,942 101.693,943 90.497,946 153.024,947 17.276,948 74.998,949 16.786,950 83.131,951 153.024,952 101.693,953 90.497,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.049,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.286,975 4.818,976 2.011,977 3.818,978 83.131,979 11.641,980 13.226,981 3.195,984 2.295,985 1.893,986 49.683,987 345.215,988 35,999 38.029,1000 43.066,1001 0.28,1002 0.73,1003 0.852,1004 0.892,1005 0.902,1006 0.902,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.242,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.908,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.838,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.342,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.763,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.63,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.866,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.892,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 12.064,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.159,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.312,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.438,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.588,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.73,1133 4398,1134 7022,1135 16.819,1136 25.841,1137 39.193,1138 38.662,1139 40.034,1140 38.774,1141 38.753,1142 54.225,1144 117.881,1145 37.234,1146 5.437,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.551,1160 1.55,1161 2.169,1163 4.715,1164 1.489,1165 4.174,1166 4.215,1167 4.148,1168 4.071,1169 5.258,1170 4.083,1171 4.023,1172 4.072,1173 3.989,1174 3.87,1175 4.983,1176 3.897,1177 3.578,1178 3.656,1179 3.445,1180 3.413,1181 4.846,1182 3.404,1183 3.418,1184 3.475,1185 3.342,1186 3.277,1187 4.518,1188 3.287,1189 3.128,1190 3.222,1191 3.01,1192 2.916,1193 4.241,1194 2.93,1195 2.992,1196 3.094,1197 2.87,1198 2.749,1199 4.026,1200 2.767,1201 2.905,1202 3.009,1203 2.782,1204 2.666,1205 3.763,1206 2.696,1207 2.874,1208 2.981,1209 2.499,1210 2.618,1211 3.661,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.303,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 1.967,1232 1.946,1233 2.035,1234 2.05,1235 1.192,1236 2.043,1237 1.808,1238 1.76,1239 1.947,1240 2.003,1241 1.142,1242 1.983,1243 1.62,1244 1.555,1245 1.78,1246 1.824,1247 0.863,1248 1.821,1249 1.483,1250 1.421,1251 1.659,1252 1.694,1253 0.658,1254 1.69,1255 1.187,1256 1.132,1257 1.417,1258 1.414,1259 0.469,1260 1.39,1261 0.934,1262 0.83,1263 1.293,1264 1.245,1265 0.357,1266 1.308,1267 0.921,1268 0.804,1269 1.181,1270 1.239,1271 0.15,1272 1.237,1273 0.812,1274 0.736,1275 1.096,1276 1.097,1277 0.041,1278 1.093,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.147,1293 6.09,1299 0.196,1305 24.762,1306 55.911,1307 145.505,1308 169.911,1309 177.911,1310 179.911,1311 179.911,1312 25.335,1313 7.358,1314 85.41,1315 85.41,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 152.021,1325 237.2,1326 362.691,1327 14040,1329 15.267,1330 0.694,1331 0.564,1332 15.267,1333 12.408,1334 10.648,1335 0.426,1336 0.288,1337 7.114,1338 10.254,1339 6.897,1340 5.761,1341 10.648,1342 7.211,1343 9.981,1344 0.27,1345 0.152,1346 9.981,1347 5.624,1348 8.729,1349 0.165,1350 0.072,1351 8.729,1352 3.834,1353 7.769,1354 0.104,1355 0.037,1356 7.769,1357 2.758,1358 6.227,1359 0.066,1360 0.019,1361 6.227,1362 1.834,1363 0.361,1364 66.484,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 320.226,1370 135.157,1371 320.924,1372 461.49,1373 302,1374 152,1375 369.265,1376 164.462,1377 375.026,1378 554.88,1379 354,1380 6.186}
{0 CHEMBL1242295,1 1.449,2 7.958,3 3.395,4 11.529,5 94.896,6 7.581,7 0.714,8 3.878,9 4.014,10 3.484,11 3.436,12 4.949,13 3.424,14 4.422,15 4.595,16 3.88,17 3.879,18 5.426,19 3.843,20 4.672,21 4.908,22 3.871,23 3.944,24 5.594,25 3.874,26 4.647,27 4.894,28 3.87,29 3.896,30 5.652,31 3.839,32 4.547,33 4.767,34 3.76,35 3.863,36 5.518,37 3.8,38 4.514,39 4.717,40 3.744,41 3.858,42 5.53,43 3.789,44 4.603,45 4.845,46 3.605,47 3.822,48 5.542,49 3.711,50 4.551,51 4.846,52 3.241,53 3.627,54 5.388,55 3.454,56 0.059,57 0.712,58 8.477,59 3.399,60 8.889,61 4.632,62 0.139,63 1.169,64 15.809,65 6.19,66 15.994,67 8.619,68 0.179,69 1.367,70 22.874,71 7.793,72 22.279,73 11.468,74 0.339,75 1.344,76 22.883,77 7.123,78 33.89,79 10.529,80 0.198,81 1.236,82 19.601,83 6.297,84 24.931,85 9.164,86 0.172,87 1.215,88 18.298,89 6.333,90 24.202,91 9.049,92 0.201,93 1.233,94 21.528,95 7.289,96 28.563,97 10.688,98 0.282,99 1.06,100 22.507,101 7.505,102 34.056,103 11.224,104 2,105 41,106 0.249,107 0.646,108 0.765,109 0.83,110 0.838,111 0.838,112 3.231,113 0.897,114 -4.76,115 -4.67,116 -4.39,119 42.9,121 4,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 7,177 1,178 1,180 4,183 9,185 1,186 1,187 7,192 2,195 6,198 2,199 10,201 3,202 3,204 2,207 5,209 1,212 9,217 2,220 5,222 2,224 7,227 1,229 5,232 6,234 4,237 4,240 1,242 3,245 8,247 3,253 2,254 1,257 1,258 6,268 2,271 2,275 760,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.548,282 9.487,283 9.779,284 17.099,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.422,291 7.5,292 4.637,293 14.364,294 3.944,295 1.638,296 0.952,297 0.571,298 0.524,299 0.524,300 3.945,303 1,304 1,305 1,306 437,307 2.121,310 139.283,311 102.98,314 160.199,318 1.135,319 15.855,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 191,332 4.766,333 3.389,334 7.051,335 4.312,336 3.349,337 4.738,339 12.147,340 3.23,341 4.415,342 2.95,343 6.293,344 3.916,345 2.936,346 4.353,348 9.503,349 2.876,350 3.904,351 2.766,352 6.145,353 3.645,354 2.677,355 3.312,357 8.961,358 2.59,359 3.761,360 2.405,361 5.751,362 3.345,363 2.38,364 3.198,366 7.634,367 2.297,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.366,375 5.69,376 1.899,377 3.051,378 1.552,379 4.519,380 2.526,381 1.552,382 2.322,384 4.384,385 1.518,386 3.033,387 1.533,388 4.333,389 2.487,390 1.533,391 2.3,393 4.052,394 1.45,395 2.654,396 1.41,397 4.234,398 2.308,399 1.345,400 1.72,402 3.529,403 1.292,404 2.601,405 1.154,406 3.672,407 2.093,408 1.151,409 1.636,411 2.661,412 1.081,413 2.411,414 0.973,415 3.431,416 1.923,417 0.966,418 1.376,420 2.308,421 0.922,422 1.911,423 0.702,424 3.248,425 1.662,426 0.683,427 0.792,428 1.74,429 0.668,430 1.837,431 0.618,432 3.036,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.4,440 3,441 1.365,442 0.395,443 0.584,445 0.983,446 0.383,447 1.061,448 -0.153,449 2.652,450 0.63,451 -0.286,452 -0.364,454 -0.672,455 -0.261,456 0.846,457 -0.589,458 2.461,459 0.381,460 -0.59,461 -0.817,463 -1.644,464 -0.571,465 11.4,466 0.475,467 0.534,468 0.022,469 33,470 1.375,471 16.5,472 0.688,473 16.5,474 0.688,475 18.414,476 0.767,477 24.6,478 0.586,479 21.59,480 0.9,481 6.011,482 0.25,483 5.798,484 0.242,485 0.035,487 0.386,493 0.935,494 1.187,495 0.764,496 0.941,497 0.977,498 0.849,499 0.772,500 1.136,501 0.823,502 1.027,503 0.579,504 0.949,505 0.968,506 1.17,507 0.887,508 1.019,509 0.693,510 0.956,511 1.07,512 0.853,513 0.871,514 0.779,515 0.964,516 0.794,517 1.399,518 1.071,519 1.108,520 0.967,521 1.196,522 0.992,523 1.24,524 1.184,525 1.173,526 1.152,527 1.43,528 1.153,529 1.112,530 1.144,531 1.181,532 1.188,533 1.461,534 1.193,535 0.853,536 0.81,537 1.093,538 1.025,539 1.14,540 1.08,541 3.5,543 2.889,544 1.764,545 1.522,546 0.716,547 0.469,548 0.348,549 0.148,550 0.047,551 6351,552 14125,553 2.262,554 42.9,555 4,556 5,557 1,558 1,559 3,561 4,564 1.676,565 2.182,566 3.02,567 0.998,568 1,569 1,571 1,573 60.85,574 1.449,575 3.754,576 4.44,577 4.821,578 4.869,579 4.869,580 2.44,581 4.22,582 4.558,583 3.145,584 868.043,585 7.902,586 9735.16,587 1,588 1,590 1,591 226.477,592 1.175,593 4.543,594 0.125,596 0.07,597 0.045,598 0.039,599 0.02,600 0.014,601 0.012,602 0.008,603 0.005,604 0.339,605 0.33,606 0.88,607 0.382,608 110.695,609 0.003,610 -0.012,611 0.064,612 0.044,613 -0.043,614 0.059,615 0.144,616 -0.036,617 0.052,618 -0.037,619 0.181,620 -0.011,621 0.012,622 -0.177,623 0.077,624 -0.045,625 0.146,626 0.013,627 0.114,628 0.172,629 0.121,630 0.153,631 0.127,632 0.141,633 -0.292,634 -0.012,635 -0.165,636 -0.023,637 -0.183,638 -0.067,639 -0.201,640 -0.112,641 -0.259,642 -0.197,643 -0.24,644 -0.229,645 -0.127,646 -0.162,647 -0.214,648 -0.22,649 -0.25,650 -0.227,651 0.073,652 0.067,653 -0.057,654 -0.038,655 -0.03,656 -0.061,657 1.173,658 2.188,659 0.958,660 17.167,661 0.998,662 1.131,663 3.531,664 12.47,665 0.681,666 3.367,667 3.738,668 4.111,669 4.466,670 4.682,671 4.883,672 5.081,673 5.268,674 5.328,675 5.384,676 5.036,677 0.65,678 318.42,679 3.367,680 4.934,681 5.832,682 6.746,683 7.662,684 8.584,685 9.507,686 10.433,687 11.359,688 12.288,689 14.3,693 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,722 1,731 42,733 20,734 1,735 28,737 46,738 18,739 13,740 3,741 3,746 5,747 7,755 5,758 5,761 13,762 5,777 1,778 1,781 18,782 4,783 3,784 6,790 6,794 0.6,803 1,806 1,807 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,877 11,878 7.467,879 5.111,880 2.704,881 3.983,882 1.515,883 1.084,884 3.101,885 11.719,886 3.664,887 4.363,888 5.091,889 5.796,890 6.355,891 6.837,892 7.362,893 7.89,894 8.22,895 8.651,896 1,897 39,898 8.86,900 3.921,901 7.521,902 17.368,904 15.204,905 2.021,906 48.5,909 1,910 176.567,911 82.985,912 101.693,917 82.985,918 176.567,919 101.693,921 10.138,922 79.85,923 63.72,924 38.269,925 16.243,926 153.024,928 176.567,929 184.678,933 129.482,934 47.084,937 41.791,938 92.653,939 50.234,941 176.567,942 101.693,943 82.985,946 176.567,947 27.414,948 57.348,949 16.786,950 83.131,951 176.567,952 101.693,953 82.985,955 0.589,956 0.362,957 0.212,958 0.108,959 24,960 9,961 0.043,962 2,963 2,964 1.174,965 3.633,966 219.375,967 0.174,968 23,969 106.039,974 13.996,975 5.317,976 2.156,977 3.979,978 83.131,979 11.829,980 13.599,981 3.222,984 2.414,985 2.066,986 49.683,987 361.245,988 38,999 41.912,1000 47.481,1001 0.269,1002 0.696,1003 0.823,1004 0.894,1005 0.903,1006 0.903,1007 4.913,1008 1.345,1009 5.826,1010 4.052,1011 4.419,1012 5.05,1014 6.706,1015 4.351,1016 6.145,1017 1.151,1018 7.419,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.908,1025 7.481,1026 0.966,1027 9.116,1028 2.661,1029 6.066,1030 7.401,1032 10.895,1033 5.936,1034 8.863,1035 0.683,1036 10.877,1037 2.308,1038 6.553,1039 8.224,1041 12.785,1042 6.39,1043 10.282,1044 0.618,1045 12.678,1046 1.74,1047 8.038,1048 10.1,1050 15.47,1051 7.845,1052 11.728,1053 0.395,1054 14.509,1055 1.372,1056 8.916,1057 11.326,1059 17.706,1060 8.689,1061 13.194,1062 -0.286,1063 16.359,1064 0.983,1065 10.195,1066 12.989,1068 20.243,1069 9.936,1070 3.349,1071 -0.59,1072 18.225,1073 -0.672,1074 11.245,1075 14.392,1077 22.624,1078 10.951,1079 2.936,1080 12.147,1081 20.102,1082 -1.644,1083 12.454,1084 15.973,1086 25.12,1087 12.126,1088 2.677,1089 9.503,1090 21.99,1091 4.738,1092 13.579,1093 17.452,1095 27.562,1096 13.215,1097 2.38,1098 8.961,1099 23.885,1100 4.353,1101 14.768,1102 19.004,1104 30.05,1105 14.368,1106 1.996,1107 7.634,1108 25.787,1109 3.312,1110 15.928,1111 20.516,1113 32.52,1114 15.491,1115 1.552,1116 5.69,1117 27.695,1118 3.198,1119 17.114,1120 22.058,1122 35.008,1123 16.641,1124 1.533,1125 4.384,1126 29.608,1127 2.366,1128 18.292,1129 23.586,1131 37.491,1132 17.781,1133 5770,1134 8750,1135 19.592,1136 28.603,1137 43.113,1138 43.039,1139 43.439,1140 43.23,1141 43.162,1142 58.631,1144 129.925,1145 41.647,1146 5.668,1147 5.389,1148 6.646,1149 5.388,1150 5.349,1151 7.738,1153 19.687,1154 5.23,1155 5.845,1156 1.54,1157 1.537,1158 1.551,1159 1.544,1160 1.541,1161 2.094,1163 4.64,1164 1.487,1165 4.181,1166 4.223,1167 4.154,1168 4.075,1169 5.257,1170 4.087,1171 4.034,1172 4.081,1173 3.995,1174 3.89,1175 4.983,1176 3.912,1177 3.793,1178 3.852,1179 3.667,1180 3.678,1181 4.844,1182 3.669,1183 3.422,1184 3.482,1185 3.354,1186 3.278,1187 4.516,1188 3.287,1189 3.229,1190 3.32,1191 3.143,1192 2.966,1193 4.258,1194 3,1195 3.001,1196 3.094,1197 2.891,1198 2.829,1199 4.117,1200 2.833,1201 2.915,1202 2.997,1203 2.786,1204 2.685,1205 3.769,1206 2.703,1207 2.869,1208 2.979,1209 2.583,1210 2.671,1211 3.663,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.766,1219 0.169,1220 3.389,1222 7.051,1223 0.434,1224 4.312,1225 0.115,1226 3.349,1227 4.738,1229 12.147,1230 3.23,1231 1.966,1232 1.946,1233 2.035,1234 2.049,1235 1.244,1236 2.042,1237 1.802,1238 1.757,1239 1.894,1240 1.992,1241 1.211,1242 1.964,1243 1.596,1244 1.538,1245 1.86,1246 1.794,1247 1.188,1248 1.793,1249 1.577,1250 1.507,1251 1.756,1252 1.751,1253 0.874,1254 1.786,1255 1.483,1256 1.421,1257 1.659,1258 1.691,1259 0.658,1260 1.689,1261 1.182,1262 1.13,1263 1.288,1264 1.393,1265 0.368,1266 1.374,1267 0.92,1268 0.831,1269 1.18,1270 1.245,1271 0.162,1272 1.237,1273 0.812,1274 0.737,1275 1.096,1276 1.092,1277 0.099,1278 1.09,1279 4.043,1281 5.398,1282 3.434,1283 6.948,1284 5.733,1285 8.592,1286 7.803,1287 10.289,1293 6.188,1295 4.794,1299 0.409,1305 27.289,1306 60.85,1307 157.683,1308 186.477,1309 202.477,1310 204.477,1311 204.477,1312 27.612,1313 7.736,1314 85.41,1315 85.41,1316 27,1317 12.792,1318 4.392,1319 3.459,1320 30.081,1321 71,1322 66,1323 0.208,1324 163.812,1325 259.44,1326 391.462,1327 22600,1329 16.096,1330 0.671,1331 0.552,1332 16.096,1333 13.236,1334 11.81,1335 0.422,1336 0.299,1337 8.276,1338 11.425,1339 8.153,1340 6.717,1341 11.81,1342 8.373,1343 10.782,1344 0.263,1345 0.158,1346 10.782,1347 6.469,1348 9.878,1349 0.165,1350 0.084,1351 9.878,1352 5.015,1353 8.93,1354 0.104,1355 0.044,1356 8.93,1357 3.801,1358 6.856,1359 0.064,1360 0.021,1361 6.856,1362 2.225,1363 0.312,1364 73.455,1365 0.226,1366 22.753,1367 0.622,1368 138,1369 334.226,1370 149.157,1371 334.444,1372 483.65,1373 316,1374 170,1375 387.265,1376 182.795,1377 392.298,1378 583.76,1379 372,1380 6.275}
{0 CHEMBL1242376,1 1.706,2 7.87,3 3.583,4 12.837,5 93.126,6 9.597,7 0.615,8 3.802,9 3.923,10 3.586,11 3.373,12 4.931,13 3.355,14 4.33,15 4.492,16 4.034,17 3.81,18 5.398,19 3.764,20 4.605,21 4.82,22 4.196,23 3.899,24 5.648,25 3.827,26 4.574,27 4.807,28 3.972,29 3.827,30 5.655,31 3.767,32 4.467,33 4.667,34 3.867,35 3.796,36 5.551,37 3.745,38 4.471,39 4.661,40 3.968,41 3.811,42 5.564,43 3.737,44 4.543,45 4.775,46 3.953,47 3.766,48 5.642,49 3.631,50 4.457,51 4.741,52 3.835,53 3.517,54 5.394,55 3.316,56 0.09,57 0.627,58 5.389,59 3.272,60 10.794,61 3.979,62 0.165,63 1.025,64 11.815,65 5.979,66 16.679,67 7.578,68 0.312,69 1.223,70 27.553,71 8.183,72 31.663,73 10.315,74 0.422,75 1.209,76 32.208,77 7.541,78 37.613,79 9.534,80 0.312,81 1.128,82 14.056,83 5.725,84 31.23,85 7.447,86 0.271,87 1.108,88 15.068,89 6.226,90 26.194,91 8.089,92 0.389,93 1.074,94 21.623,95 7.619,96 51.122,97 10.107,98 0.396,99 0.844,100 29.786,101 7.652,102 49.027,103 10.169,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.19,113 0.971,114 -5.26,115 -5.15,116 -4.81,117 1,119 41,121 4,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 7,177 1,178 1,180 2,183 7,185 1,186 1,187 7,192 3,195 5,198 2,199 9,201 3,202 3,204 2,207 4,209 1,212 7,215 1,217 3,220 4,222 2,224 5,227 1,229 3,232 7,234 3,237 3,240 2,241 1,242 2,244 1,245 6,247 2,250 2,255 3,258 2,260 1,268 2,271 2,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 12.041,283 9.039,284 16.052,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 8.742,292 4.272,293 13.604,294 3.58,295 1.366,296 0.891,297 0.564,298 0.564,299 0.564,300 3.884,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 21.863,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.25,331 181,332 4.763,333 3.393,334 7.05,335 4.31,336 3.347,337 4.733,339 12.146,340 3.224,341 4.218,342 3.157,343 6.261,344 3.786,345 2.843,346 3.88,348 9.314,349 2.686,350 3.878,351 2.789,352 5.971,353 3.602,354 2.651,355 3.243,357 8.322,358 2.507,359 3.68,360 2.45,361 5.68,362 3.252,363 2.324,364 3.086,366 7.318,367 2.095,368 3.239,369 2.04,370 5.078,371 2.948,372 1.994,373 2.365,375 5.689,376 1.897,377 2.996,378 1.861,379 4.469,380 2.445,381 1.513,382 2.231,384 4.136,385 1.406,386 2.82,387 1.534,388 4.235,389 2.342,390 1.414,391 1.948,393 3.533,394 1.293,395 2.638,396 1.408,397 4.038,398 2.305,399 1.342,400 1.684,402 3.509,403 1.253,404 2.442,405 1.081,406 3.662,407 1.966,408 1.035,409 1.423,411 2.565,412 0.946,413 1.857,414 0.723,415 3.249,416 1.658,417 0.683,418 0.784,420 1.743,421 0.661,422 1.618,423 0.618,424 3,425 1.618,426 0.618,427 0.618,428 1.372,429 0.618,430 1.371,431 0.566,432 2.736,433 0.906,434 0.103,435 0.124,436 0.227,437 0.063,438 1.057,439 -0.148,440 2.462,441 0.619,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.291,449 2.375,450 0.35,451 -0.595,452 -0.769,454 -1.604,455 -0.525,456 0.626,457 -0.704,458 2.333,459 0.128,460 -0.795,461 -1.041,463 -2.197,464 -0.679,465 11.667,466 0.507,467 0.61,468 0.027,469 30.25,470 1.315,471 15,472 0.652,473 15.25,474 0.663,475 20.063,476 0.872,477 23.733,478 0.609,479 19.028,480 0.827,481 5.249,482 0.228,483 5.898,484 0.256,485 0.177,487 0.377,493 0.903,494 1.153,495 0.484,496 0.757,497 0.985,498 0.788,499 0.651,500 1.129,501 0.535,502 0.847,503 0.51,504 0.885,505 0.873,506 1.207,507 0.772,508 0.961,509 0.698,510 0.92,511 1.003,512 0.873,513 0.911,514 0.829,515 0.819,516 0.802,517 1.156,518 1.078,519 0.4,520 0.744,521 0.93,522 0.935,523 0.963,524 1.215,525 0.561,526 0.994,527 1.038,528 1.135,529 0.751,530 1.078,531 0.678,532 1.02,533 0.921,534 1.168,535 1.004,536 0.785,537 0.842,538 0.964,539 1.29,540 1.028,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 14943,553 2.141,554 41,555 4,556 4,558 1,559 3,561 4,564 1.666,565 2,566 2.981,567 1.075,569 1,573 66.521,574 1.706,575 3.919,576 4.394,577 4.721,578 4.721,579 4.721,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,589 1,590 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.33,606 1,607 0.58,608 104.348,609 -0.075,610 0.016,611 -0.003,612 0.058,613 -0.117,614 0.058,615 0.093,616 -0.024,617 0.03,618 0.001,619 0.125,620 0.011,621 0.046,622 -0.208,623 0.048,624 -0.041,625 0.124,626 0.032,627 -0.001,628 0.168,629 -0.062,630 0.067,631 0.036,632 0.121,633 -0.214,634 0.035,635 -0.039,637 -0.1,638 -0.088,639 -0.088,640 -0.135,641 -0.028,642 -0.179,643 -0.141,644 -0.253,645 0.152,646 -0.113,647 0.029,648 -0.125,649 0.088,650 -0.206,651 0.031,652 0.031,653 0.126,654 0.044,655 -0.082,656 0.035,657 1.499,658 3.977,659 0.87,660 16.378,661 1.009,662 1.129,663 4.027,664 16.215,665 0.703,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.667,678 374.27,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 39,733 16,734 1,735 26,736 1,737 42,738 16,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 5,777 1,778 1,781 16,782 5,783 3,784 7,785 1,790 5,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,843 1,848 23,849 1,853 1,854 4,858 1,869 1,870 2.6,872 1,877 11.5,878 6.893,879 4.944,880 2.449,881 3.077,882 1.423,883 1.007,884 3.739,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.49,900 3.724,901 7.707,902 16.333,904 14.002,905 2.207,906 50.75,910 153.024,911 62.799,912 130.862,914 42.683,917 108.753,918 195.708,919 84.908,921 10.138,922 61.326,923 106.404,924 21.966,925 2.328,926 141.253,927 45.954,928 153.024,929 147.707,930 42.683,932 45.954,933 105.94,934 89.768,937 25.005,938 72.467,939 50.234,940 45.954,941 153.024,942 127.591,943 108.753,946 153.024,947 25.752,948 38.824,949 45.954,950 125.815,951 153.024,952 127.591,953 108.753,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.048,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 100.042,974 14.912,975 5.767,976 2.501,977 1.517,978 125.815,979 6.854,980 13.306,984 2.741,985 1.981,986 75.581,987 389.369,988 34,999 39.367,1000 44.034,1001 0.323,1002 0.742,1003 0.831,1004 0.893,1005 0.893,1006 0.893,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1014 6.629,1015 4.233,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.806,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1032 10.82,1033 5.796,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.238,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1050 15.401,1051 7.686,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.521,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1068 20.188,1069 9.769,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.781,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1086 25.08,1087 11.96,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.052,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1104 30.022,1105 14.211,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.339,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1122 34.989,1123 16.495,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.642,1133 4917,1134 8525,1135 17.512,1136 27.404,1137 39.656,1138 40.345,1139 41.079,1140 39.9,1141 39.736,1142 52.237,1144 119.749,1145 37.297,1146 5.665,1147 5.393,1148 6.646,1149 5.385,1150 5.347,1151 7.733,1153 19.683,1154 5.224,1155 10.157,1156 1.525,1157 1.552,1158 1.58,1159 1.535,1160 1.528,1161 2.009,1163 4.606,1164 1.435,1165 4.144,1166 4.191,1167 6.88,1168 4.01,1169 6.469,1170 4.028,1171 3.86,1172 3.891,1173 4.117,1174 3.789,1175 5.254,1176 3.779,1177 3.774,1178 3.821,1179 3.717,1180 3.659,1181 4.871,1182 3.653,1183 3.285,1184 3.374,1185 3.648,1186 3.052,1187 4.618,1188 3.069,1189 3.038,1190 3.12,1191 3.204,1192 2.865,1193 4.45,1194 2.862,1195 2.932,1196 2.979,1197 2.918,1198 2.746,1199 4.171,1200 2.748,1201 2.869,1202 2.975,1203 2.804,1204 2.671,1205 3.761,1206 2.645,1207 2.853,1208 2.938,1209 2.614,1210 2.652,1211 3.591,1212 2.635,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.393,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1229 12.146,1230 3.224,1231 1.925,1232 1.908,1233 1.971,1234 2.029,1235 1.243,1236 2.01,1237 1.787,1238 1.744,1239 1.886,1240 1.958,1241 1.211,1242 1.945,1243 1.586,1244 1.53,1245 1.86,1246 1.772,1247 1.12,1248 1.793,1249 1.577,1250 1.507,1251 1.739,1252 1.751,1253 0.842,1254 1.77,1255 1.137,1256 1.089,1257 1.239,1258 1.377,1259 0.293,1260 1.353,1261 0.883,1262 0.839,1263 1.148,1264 1.218,1265 0.148,1266 1.201,1267 0.876,1268 0.786,1269 1.102,1270 1.133,1271 0.094,1272 1.13,1273 0.761,1274 0.673,1275 0.995,1276 1.05,1277 0.086,1278 1.045,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1288 3.3,1293 6.098,1294 9.977,1295 4.624,1299 0.351,1305 26.008,1306 66.521,1307 152.846,1308 171.376,1309 184.131,1310 184.131,1311 184.131,1312 33.969,1313 7.274,1314 89.85,1315 89.85,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 164.064,1325 267.81,1326 392.076,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.608,1332 16.974,1333 13.993,1334 11.148,1335 0.429,1336 0.324,1337 7.579,1338 10.23,1339 7.418,1340 6.097,1341 11.725,1342 8.418,1343 10.285,1344 0.271,1345 0.177,1346 11.027,1347 6.71,1348 9.187,1349 0.17,1350 0.094,1351 10.044,1352 5.079,1353 7.78,1354 0.104,1355 0.047,1356 8.083,1357 3.507,1358 6.179,1359 0.064,1360 0.023,1361 6.568,1362 2.177,1363 0.357,1364 77.979,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 350.697,1370 205.411,1371 382.408,1372 523.29,1373 356,1374 156,1375 377.057,1376 204.751,1377 393.016,1378 582.7,1379 371,1380 6.848}
{0 CHEMBL1242377,1 1.752,2 7.286,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.955,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.408,19 3.565,20 4.392,21 4.581,22 3.827,23 3.651,24 5.768,25 3.665,26 4.469,27 4.693,28 3.745,29 3.662,30 5.694,31 3.644,32 4.367,33 4.576,34 3.589,35 3.621,36 5.508,37 3.577,38 4.328,39 4.525,40 3.565,41 3.561,42 5.586,43 3.513,44 4.419,45 4.683,46 3.294,47 3.415,48 5.65,49 3.305,50 4.205,51 4.52,52 2.874,53 2.981,54 5.45,55 2.831,56 0.131,57 0.635,58 6.202,59 2.778,60 13.804,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 23.873,67 5.897,68 0.479,69 1.143,70 15.674,71 5.053,72 54.809,73 6.63,74 0.517,75 1.137,76 18.396,77 5.634,78 57.701,79 7.536,80 0.371,81 1.003,82 15.276,83 4.95,84 36.412,85 6.925,86 0.346,87 0.992,88 14.188,89 5.058,90 33.536,91 6.973,92 0.549,93 0.916,94 19.23,95 5.608,96 61.848,97 8.24,98 0.54,99 0.661,100 18.942,101 5.237,102 74.609,103 7.858,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.843,114 -4.52,115 -4.44,116 -4.18,119 40,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 4,185 1,186 1,187 5,192 2,195 3,198 2,199 7,201 3,202 3,204 2,207 3,209 1,212 5,215 1,217 3,220 2,222 2,224 4,227 1,229 3,232 4,234 3,240 2,241 1,244 1,245 2,255 2,275 530,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 11.84,282 12.029,283 7.818,284 14.123,285 11.301,286 11.301,287 11.301,288 11.301,289 11.301,290 8.368,291 8.729,292 3.657,293 11.907,294 3.378,295 1.097,296 0.693,297 0.557,298 0.557,299 0.557,300 3.777,303 1,304 1,305 1,306 323,307 2.646,310 39.793,311 107.231,314 76.128,318 1.061,319 28.788,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 153,332 4.76,333 3.381,334 7.039,335 4.301,336 3.338,337 4.732,339 12.086,340 3.217,341 4.216,342 3.162,343 6.179,344 3.782,345 2.827,346 3.879,348 8.977,349 2.694,350 3.814,351 2.685,352 5.927,353 3.482,354 2.533,355 3.214,357 8.067,358 2.398,359 3.679,360 2.448,361 5.657,362 3.268,363 2.321,364 3.085,366 7.235,367 2.186,368 3.03,369 1.877,370 4.819,371 2.683,372 1.743,373 2.244,375 4.818,376 1.636,377 2.98,378 1.816,379 4.469,380 2.446,381 1.508,382 2.126,384 4.123,385 1.41,386 2.82,387 1.53,388 4.039,389 2.365,390 1.414,391 1.948,393 3.512,394 1.333,395 2.521,396 1.091,397 3.86,398 2.006,399 1.062,400 1.531,402 2.758,403 0.999,404 2.127,405 0.871,406 3.49,407 1.775,408 0.815,409 1.033,411 2.05,412 0.78,413 1.371,414 0.577,415 2.736,416 0.989,417 0.103,418 0.124,420 0.227,421 0.089,422 1.058,423 -0.149,424 2.427,425 0.617,426 -0.294,427 -0.374,428 -0.685,429 -0.267,430 0.781,431 -0.289,432 2.375,433 0.353,434 -0.595,435 -0.77,436 -1.604,437 -0.555,438 0.621,439 -0.711,440 2.256,441 0.116,442 -0.815,443 -1,445 -2,446 -0.751,447 0.227,448 -0.858,449 2.131,451 -1,452 -1.114,454 -2.268,455 -0.973,457 -1,458 1.805,459 -0.129,460 -1.062,461 -1.285,463 -3.043,464 -1,465 9.619,466 0.458,467 0.686,468 0.033,469 29,470 1.381,471 15,472 0.714,473 14,474 0.667,475 15.103,476 0.719,477 22.781,478 0.651,479 20.733,480 0.987,481 5.676,482 0.27,483 4.31,484 0.205,485 0.21,487 0.457,491 1,493 0.778,494 1.115,495 0.718,496 0.996,497 0.792,498 0.871,499 0.655,500 1.063,501 0.599,502 0.947,503 0.557,504 0.793,505 0.943,506 1.18,507 0.857,508 0.977,509 0.761,510 0.896,511 0.973,512 0.883,513 0.97,514 0.862,515 0.922,516 0.894,517 0.778,518 0.916,519 1.102,520 1.046,521 0.559,522 1.117,523 0.704,524 1.111,525 1.105,526 1.344,527 0.694,528 1.333,529 0.738,530 0.86,531 1.145,532 1.141,533 0.845,534 1.227,535 0.79,536 0.644,537 0.788,538 0.886,539 0.922,540 0.875,541 4.5,543 3.111,544 2.042,545 1.807,546 0.827,547 0.566,548 0.386,549 0.148,550 0.016,551 3654,552 12107,553 2.018,554 40,556 4,558 1,559 3,561 6,564 1.64,565 1.826,566 2.878,567 1.156,569 1,571 1,573 61.309,574 1.752,575 4.032,576 4.436,577 4.572,578 4.572,579 4.572,580 2.244,581 4.202,582 4.364,583 2.982,584 626.115,585 7.519,586 6413.99,587 1,588 1,590 1,591 179.525,592 1.545,593 4.289,594 0.196,596 0.092,597 0.057,598 0.055,599 0.03,600 0.022,601 0.023,602 0.015,603 0.005,604 0.493,605 0.5,606 1,607 0.911,608 91.933,609 -0.086,610 -0.056,611 0.01,612 0.034,613 -0.147,614 0.044,615 0.05,616 -0.058,617 0.22,618 0.055,619 0.063,620 0.155,622 -0.137,623 0.034,624 -0.017,625 0.12,626 0.019,627 -0.081,628 0.101,629 -0.034,630 0.072,631 -0.09,632 0.04,633 -0.129,634 -0.048,635 -0.245,636 -0.107,637 -0.039,638 -0.177,639 0.013,640 -0.186,641 -0.248,642 -0.374,643 -0.013,644 -0.383,645 0.116,646 -0.04,647 -0.127,648 -0.206,649 0.01,650 -0.227,651 0.3,652 0.095,653 0.415,654 0.108,655 0.252,656 0.244,657 2.351,658 5.216,659 0.714,660 13.56,661 1.022,662 1.146,663 3.287,664 10.808,665 0.664,666 3.178,667 3.555,668 3.871,669 4.174,670 4.443,671 4.564,672 4.625,673 4.71,674 4.644,675 4.511,676 4.558,677 0.653,678 287.33,679 3.178,680 4.745,681 5.624,682 6.535,683 7.441,684 8.36,685 9.275,686 10.198,687 11.117,688 12.041,689 14.3,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,733 16,734 1,735 23,737 37,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,779 1,781 14,782 6,783 3,784 7,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,846 1,848 21,849 1,853 1,858 1,869 1,870 2.9,872 1,877 11.5,878 6.893,879 4.528,880 2.033,881 3.139,882 1.457,883 0.968,884 3.26,885 10.002,886 3.466,887 4.171,888 4.859,889 5.531,890 6.123,891 6.526,892 6.946,893 7.39,894 7.628,895 7.866,896 0.8,897 36,898 7.741,900 3.385,901 8.071,902 14.232,904 11.62,905 2.571,906 54,910 129.482,911 76.377,912 84.908,914 42.683,915 14.96,917 76.377,918 172.165,919 99.868,920 17.65,922 61.326,923 106.404,924 28.031,925 17.288,926 117.711,928 129.482,929 161.285,930 57.643,933 73.816,934 113.31,937 32.518,938 78.533,939 50.234,941 144.442,942 127.591,943 76.377,946 129.482,947 21.68,948 56.474,950 140.775,951 129.482,952 142.551,953 76.377,955 0.599,956 0.36,957 0.193,958 0.114,959 18,960 9,961 0.054,962 2,963 1,964 1.133,965 3.144,966 170.795,967 0.133,968 15,969 90.239,974 13.773,975 4.971,976 2.216,977 1.202,978 140.775,979 5.414,980 12.696,984 0.253,985 1.725,986 75.581,987 348.411,988 31,999 35.767,1000 40.117,1001 0.342,1002 0.786,1003 0.865,1004 0.891,1005 0.891,1006 0.891,1007 4.718,1008 1.062,1009 5.652,1010 3.512,1011 4.234,1012 4.856,1014 6.538,1015 4.135,1016 5.979,1017 0.815,1018 7.266,1019 2.758,1020 4.007,1021 4.856,1023 7.597,1024 3.858,1025 7.325,1026 0.103,1027 8.98,1028 2.05,1029 5.9,1030 7.201,1032 10.742,1033 5.719,1034 8.712,1035 -0.294,1036 10.751,1037 0.227,1038 6.463,1039 8.029,1041 12.635,1042 6.235,1043 10.132,1044 -0.595,1045 12.558,1046 -0.685,1047 7.886,1048 9.879,1050 15.326,1051 7.631,1052 11.577,1053 -0.815,1054 14.391,1055 -1.604,1056 8.796,1057 11.093,1059 17.569,1060 8.498,1061 13.041,1062 -1,1063 16.242,1064 -2,1065 10.054,1066 12.75,1068 20.115,1069 9.727,1070 3.338,1071 -1.062,1072 18.109,1073 -2.268,1074 11.117,1075 14.146,1077 22.504,1078 10.752,1079 2.827,1080 12.086,1081 19.987,1082 -3.043,1083 12.32,1084 15.729,1086 25.007,1087 11.924,1088 2.533,1089 8.977,1090 21.876,1091 4.732,1092 13.453,1093 17.208,1095 27.456,1096 13.02,1097 2.321,1098 8.067,1099 23.773,1100 3.879,1101 14.641,1102 18.765,1104 29.947,1105 14.176,1106 1.743,1107 7.235,1108 25.677,1109 3.214,1110 15.807,1111 20.281,1113 32.421,1114 15.306,1115 1.508,1116 4.818,1117 27.587,1118 3.085,1119 16.995,1120 21.831,1122 34.91,1123 16.461,1124 1.414,1125 4.123,1126 29.503,1127 2.244,1128 18.176,1129 23.366,1131 37.394,1132 17.607,1133 3681,1134 6819,1135 14.74,1136 23.228,1137 35.678,1138 36.118,1139 37.742,1140 35.326,1141 35.327,1142 47.83,1144 107.705,1145 33.482,1146 5.427,1147 5.381,1148 6.567,1149 5.374,1150 5.338,1151 7.732,1153 19.551,1154 5.217,1155 12.257,1156 1.551,1157 1.57,1158 1.641,1159 1.536,1160 1.536,1161 2.08,1163 4.683,1164 1.456,1165 4.132,1166 4.179,1167 4.116,1168 3.992,1169 8.201,1170 4.015,1171 3.845,1172 3.872,1173 3.808,1174 3.729,1175 6.465,1176 3.745,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 5.254,1182 3.399,1183 3.213,1184 3.292,1185 3.142,1186 2.984,1187 4.87,1188 3.019,1189 3.007,1190 3.115,1191 2.892,1192 2.746,1193 4.573,1194 2.75,1195 2.931,1196 3.009,1197 2.804,1198 2.692,1199 4.396,1200 2.732,1201 2.874,1202 2.971,1203 2.717,1204 2.618,1205 4.051,1206 2.604,1207 2.797,1208 2.863,1209 2.499,1210 2.585,1211 3.687,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.381,1222 7.039,1223 0.525,1224 4.301,1225 0.14,1226 3.338,1227 4.732,1229 12.086,1230 3.217,1231 1.922,1232 1.903,1233 1.986,1234 2.038,1235 1.152,1236 2.017,1237 1.793,1238 1.745,1239 1.943,1240 1.982,1241 1.098,1242 1.968,1243 1.608,1244 1.545,1245 1.766,1246 1.81,1247 0.821,1248 1.808,1249 1.137,1250 1.081,1251 1.417,1252 1.408,1253 0.469,1254 1.374,1255 0.934,1256 0.839,1257 1.251,1258 1.239,1259 0.251,1260 1.308,1261 0.883,1262 0.804,1263 1.152,1264 1.231,1265 0.138,1266 1.209,1267 0.873,1268 0.779,1269 1.114,1270 1.135,1271 0.033,1272 1.13,1273 0.76,1274 0.667,1275 0.989,1276 1.064,1278 1.052,1279 3.85,1281 5.209,1282 2.398,1283 6.767,1284 4.844,1285 8.418,1286 7.081,1287 10.117,1289 3.938,1291 13.216,1293 5.935,1294 9.547,1299 0.074,1305 22.839,1306 61.309,1307 141.119,1308 155.26,1309 160.015,1310 160.015,1311 160.015,1312 39.448,1313 6.863,1314 89.85,1315 89.85,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.867,1321 56,1322 59,1323 0.289,1324 141.557,1325 232.36,1326 337.159,1327 7124,1328 2.9,1329 15.146,1330 0.721,1331 0.551,1332 14.276,1333 11.578,1334 9.986,1335 0.434,1336 0.281,1337 6.344,1338 9.484,1339 6.163,1340 5.141,1341 9.575,1342 6.463,1343 9.485,1344 0.279,1345 0.147,1346 8.989,1347 5.011,1348 8.038,1349 0.171,1350 0.069,1351 7.376,1352 3.227,1353 6.619,1354 0.103,1355 0.035,1356 6.511,1357 2.217,1358 5.55,1359 0.066,1360 0.018,1361 5.35,1362 1.52,1363 0.427,1364 63.502,1365 0.26,1366 20.069,1367 0.881,1368 114,1369 404.153,1370 129.371,1371 368.887,1372 501.13,1373 342,1374 138,1375 378.657,1376 154.309,1377 375.745,1378 553.82,1379 353,1380 6.728}
{0 CHEMBL1242378,1 1.766,2 7.773,3 1.186,4 1.408,5 81.675,6 8.172,7 0.667,8 3.752,9 3.888,10 3.371,11 3.208,12 5.025,13 3.234,14 4.223,15 4.398,16 3.76,17 3.587,18 5.458,19 3.603,20 4.465,21 4.665,22 3.882,23 3.698,24 5.822,25 3.71,26 4.545,27 4.772,28 3.814,29 3.717,30 5.789,31 3.703,32 4.488,33 4.716,34 3.69,35 3.692,36 5.629,37 3.65,38 4.412,39 4.61,40 3.666,41 3.636,42 5.668,43 3.597,44 4.498,45 4.752,46 3.473,47 3.514,48 5.79,49 3.424,50 4.359,51 4.667,52 3.044,53 3.15,54 5.618,55 3.019,56 0.16,57 0.673,58 6.811,59 2.742,60 19.818,61 3.467,62 0.268,63 1.027,64 12.214,65 4.598,66 29.313,67 6.117,68 0.534,69 1.193,70 17.408,71 5.338,72 62.605,73 7.377,74 0.59,75 1.191,76 19.843,77 5.638,78 65.788,79 7.843,80 0.458,81 1.079,82 18.326,83 5.401,84 47.068,85 8.072,86 0.389,87 1.062,88 15.516,89 5.167,90 39.318,91 7.432,92 0.593,93 0.984,94 20.16,95 5.819,96 69.474,97 8.711,98 0.637,99 0.737,100 21.183,101 5.194,102 89.922,103 8.134,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.838,114 -3.76,115 -3.72,116 -3.54,119 37.8,120 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 3,174 2,175 6,177 1,178 1,180 2,183 3,185 1,186 1,187 4,189 1,190 1,192 3,195 3,197 1,198 2,199 6,201 4,202 4,204 2,207 2,209 1,212 5,214 1,215 2,217 4,220 1,222 3,224 3,227 1,229 3,232 2,234 3,239 1,240 3,241 2,242 2,244 3,245 1,247 2,248 1,255 2,260 1,267 1,270 1,275 608,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.71,282 11.565,283 8.322,284 14.995,285 11.722,286 11.722,287 11.722,288 11.722,289 11.722,290 8.795,291 7.997,292 3.816,293 12.347,294 3.444,295 1.034,296 0.419,297 0.291,298 0.291,299 0.291,300 3.821,304 1,305 1,306 359,307 2.828,310 42.576,311 113.692,314 81.322,318 1.087,319 32.293,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 171,332 4.761,333 3.387,334 7.044,335 4.304,336 3.341,337 4.732,339 12.109,340 3.22,341 4.217,342 3.163,343 6.209,344 3.787,345 2.832,346 3.88,348 9.083,349 2.7,350 3.836,351 2.729,352 5.947,353 3.524,354 2.573,355 3.225,357 8.175,358 2.441,359 3.679,360 2.45,361 5.667,362 3.27,363 2.322,364 3.085,366 7.27,367 2.187,368 3.089,369 1.917,370 4.927,371 2.765,372 1.824,373 2.253,375 5.132,376 1.712,377 2.992,378 1.861,379 4.469,380 2.447,381 1.509,382 2.188,384 4.128,385 1.41,386 2.82,387 1.531,388 4.047,389 2.365,390 1.414,391 1.948,393 3.513,394 1.333,395 2.542,396 1.144,397 4.023,398 2.046,399 1.095,400 1.559,402 2.94,403 1.039,404 2.26,405 1.054,406 3.595,407 1.873,408 0.936,409 1.196,411 2.287,412 0.873,413 1.372,414 0.591,415 2.736,416 1.105,417 0.172,418 0.181,420 0.257,421 0.16,422 1.228,423 0.392,424 2.576,425 0.987,426 0.098,427 0.118,428 0.198,429 0.085,430 1.039,431 -0.158,432 2.387,433 0.61,434 -0.302,435 -0.383,436 -0.695,437 -0.275,438 0.78,439 -0.29,440 2.373,441 0.353,442 -0.595,443 -0.77,445 -1.604,446 -0.555,447 0.609,448 -0.714,449 2.205,450 0.113,451 -0.82,452 -1.105,454 -2.254,455 -0.757,456 0.22,457 -0.868,458 2,459 -0.12,460 -1.059,461 -1.255,463 -2.822,464 -0.974,465 10.019,466 0.455,467 0.648,468 0.029,469 29.75,470 1.352,471 15,472 0.682,473 14.75,474 0.67,475 15.96,476 0.725,477 24.181,478 0.654,479 22.216,480 1.01,481 5.949,482 0.27,483 4.575,484 0.208,485 0.192,487 0.439,491 1,493 0.85,494 1.118,495 0.751,496 0.954,497 0.866,498 0.841,499 0.697,500 1.095,501 0.663,502 0.992,503 0.614,504 0.845,505 0.89,506 1.159,507 0.808,508 0.972,509 0.736,510 0.877,511 1.001,512 0.889,513 1.018,514 0.881,515 0.936,516 0.927,517 0.732,518 0.882,519 0.992,520 0.976,521 0.53,522 1.021,523 0.734,524 1.157,525 1.092,526 1.351,527 0.709,528 1.32,529 0.697,530 0.925,531 1.106,532 1.219,533 0.787,534 1.267,535 0.898,536 0.685,537 0.958,538 0.915,539 1.022,540 0.958,541 4.5,543 3.333,544 2.042,545 1.807,546 0.907,547 0.627,548 0.414,549 0.185,550 0.051,551 4133,552 14018,553 2.017,554 40.5,556 6,558 1,559 5,561 3,564 1.654,565 1.833,566 2.953,567 2.824,568 1,569 1,571 1,573 65.334,574 1.766,575 4.175,576 4.79,577 4.919,578 4.919,579 4.919,580 2.392,581 4.459,582 4.43,583 3.047,584 703.914,585 7.655,586 7464.11,587 1,588 1,591 192.75,592 1.544,593 4.36,594 0.188,596 0.095,597 0.054,598 0.052,599 0.029,600 0.022,601 0.02,602 0.015,603 0.01,604 0.484,605 0.33,606 1,607 1.094,608 98.203,609 -0.136,610 -0.02,611 -0.01,612 0.094,613 -0.181,614 0.085,615 0.012,616 -0.053,617 0.151,618 0.04,619 0.021,620 0.116,621 0.033,622 -0.122,623 0.095,624 0.013,625 0.128,626 0.066,627 -0.105,628 0.108,629 -0.089,630 0.051,631 -0.108,632 -0.001,633 -0.078,634 -0.032,635 -0.102,636 -0.024,637 -0.001,638 -0.053,639 -0.016,640 -0.204,641 -0.241,642 -0.362,643 -0.033,644 -0.363,645 0.148,646 -0.075,647 -0.121,648 -0.275,649 0.063,650 -0.278,651 0.164,652 0.068,653 0.192,654 0.025,655 0.109,656 0.096,657 2.368,658 5.254,659 0.682,660 15.364,661 1.023,662 1.152,663 2.528,664 6.393,665 0.655,666 3.219,667 3.584,668 3.912,669 4.205,670 4.477,671 4.615,672 4.71,673 4.787,674 4.736,675 4.615,676 4.739,677 0.645,678 302.35,679 3.219,680 4.779,681 5.659,682 6.567,683 7.474,684 8.391,685 9.308,686 10.23,687 11.151,688 12.075,689 16.2,690 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 24,737 39,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,779 1,781 15,782 7,783 5,784 8,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,833 1,840 2,844 1,846 1,848 22,849 2,853 1,854 1,858 1,869 1,870 2.7,872 1,877 12,878 6.726,879 4.861,880 2.033,881 3.124,882 1.45,883 0.975,884 3.685,885 10.069,886 3.497,887 4.186,888 4.874,889 5.543,890 6.137,891 6.548,892 6.983,893 7.424,894 7.67,895 7.911,896 1,897 38,898 8.108,900 3.55,901 8.114,902 14.841,904 12.122,905 2.614,906 57.5,910 117.711,911 69.658,912 117.805,914 42.683,915 14.96,917 69.658,918 160.394,919 132.765,920 8.825,921 35.003,922 61.326,923 106.404,924 28.031,925 17.288,926 105.94,928 117.711,929 187.463,930 57.643,933 97.358,934 77.997,937 58.695,938 78.533,939 50.234,941 132.671,942 160.488,943 69.658,946 117.711,947 23.785,948 47.649,950 173.672,951 117.711,952 175.448,953 69.658,955 0.592,956 0.365,957 0.193,958 0.113,959 18,960 9,961 0.077,962 3,963 1,964 1.133,965 3.229,966 181.498,967 0.133,968 15,969 98.107,974 14.693,975 5.517,976 2.42,977 1.095,978 173.672,979 5.328,980 12.674,984 0.103,985 1.656,986 108.478,987 362.817,988 32,999 37.869,1000 42.615,1001 0.339,1002 0.801,1003 0.92,1004 0.944,1005 0.944,1006 0.944,1007 4.745,1008 1.095,1009 5.68,1010 3.513,1011 4.263,1012 4.871,1014 6.564,1015 4.164,1016 5.996,1017 0.936,1018 7.292,1019 2.94,1020 4.007,1021 4.856,1023 7.621,1024 3.858,1025 7.34,1026 0.172,1027 9.005,1028 2.287,1029 5.927,1030 7.208,1032 10.768,1033 5.746,1034 8.726,1035 0.098,1036 10.775,1037 0.257,1038 6.479,1039 8.032,1041 12.66,1042 6.251,1043 10.144,1044 -0.302,1045 12.582,1046 0.198,1047 7.909,1048 9.882,1050 15.353,1051 7.654,1052 11.588,1053 -0.595,1054 14.414,1055 -0.695,1056 8.815,1057 11.096,1059 17.594,1060 8.517,1061 13.051,1062 -0.82,1063 16.265,1064 -1.604,1065 10.074,1066 12.752,1068 20.141,1069 9.747,1070 3.341,1071 -1.059,1072 18.131,1073 -2.254,1074 11.137,1075 14.148,1077 22.53,1078 10.77,1079 2.832,1080 12.109,1081 20.009,1082 -2.822,1083 12.34,1084 15.73,1086 25.033,1087 11.942,1088 2.573,1089 9.083,1090 21.898,1091 4.732,1092 13.472,1093 17.209,1095 27.483,1096 13.037,1097 2.322,1098 8.175,1099 23.794,1100 3.88,1101 14.661,1102 18.766,1104 29.975,1105 14.193,1106 1.824,1107 7.27,1108 25.698,1109 3.225,1110 15.826,1111 20.283,1113 32.449,1114 15.323,1115 1.509,1116 5.132,1117 27.609,1118 3.085,1119 17.014,1120 21.832,1122 34.94,1123 16.477,1124 1.414,1125 4.128,1126 29.525,1127 2.253,1128 18.196,1129 23.367,1131 37.425,1132 17.623,1133 4172,1134 7793,1135 15.433,1136 24.233,1137 36.468,1138 37.168,1139 39.356,1140 36.229,1141 36.236,1142 48.731,1144 110.184,1145 34.32,1146 5.486,1147 5.387,1148 6.587,1149 5.377,1150 5.341,1151 7.732,1153 19.605,1154 5.22,1155 12.74,1156 1.519,1157 1.549,1158 1.64,1159 1.51,1160 1.51,1161 2.03,1163 4.591,1164 1.43,1165 4.133,1166 4.181,1167 4.117,1168 3.992,1169 8.201,1170 4.016,1171 3.846,1172 3.873,1173 3.809,1174 3.729,1175 6.465,1176 3.745,1177 3.608,1178 3.687,1179 3.483,1180 3.425,1181 5.256,1182 3.425,1183 3.236,1184 3.327,1185 3.169,1186 2.987,1187 5.012,1188 3.024,1189 3.054,1190 3.168,1191 2.929,1192 2.748,1193 4.853,1194 2.771,1195 2.993,1196 3.111,1197 2.804,1198 2.745,1199 4.571,1200 2.747,1201 2.93,1202 2.971,1203 2.755,1204 2.682,1205 4.374,1206 2.689,1207 2.799,1208 2.868,1209 2.695,1210 2.585,1211 3.892,1212 2.604,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.761,1219 0.197,1220 3.387,1222 7.044,1223 0.505,1224 4.304,1225 0.134,1226 3.341,1227 4.732,1229 12.109,1230 3.22,1231 1.922,1232 1.903,1233 1.986,1234 2.04,1235 1.176,1236 2.018,1237 1.795,1238 1.746,1239 1.934,1240 1.987,1241 1.102,1242 1.972,1243 1.617,1244 1.554,1245 1.765,1246 1.826,1247 0.823,1248 1.818,1249 1.151,1250 1.09,1251 1.449,1252 1.472,1253 0.475,1254 1.448,1255 1.027,1256 0.902,1257 1.256,1258 1.348,1259 0.251,1260 1.36,1261 0.883,1262 0.839,1263 1.152,1264 1.231,1265 0.138,1266 1.209,1267 0.875,1268 0.781,1269 1.115,1270 1.135,1271 0.032,1272 1.13,1273 0.766,1274 0.67,1275 1.017,1276 1.076,1278 1.068,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.445,1286 7.081,1287 10.143,1289 1.899,1291 13.254,1293 11.645,1294 9.573,1295 0.37,1299 -0.098,1305 23.861,1306 65.334,1307 154.485,1308 177.24,1309 181.995,1310 181.995,1311 181.995,1312 44.647,1313 6.945,1314 115.87,1315 115.87,1316 17,1317 12.581,1318 4.087,1319 3.17,1320 34.119,1321 61,1322 64,1323 0.284,1324 148.351,1325 243.36,1326 353.738,1327 7880,1328 2.7,1329 15.853,1330 0.721,1331 0.539,1332 14.983,1333 11.863,1334 10.524,1335 0.439,1336 0.279,1337 6.569,1338 9.983,1339 6.442,1340 5.341,1341 10.113,1342 6.702,1343 9.626,1344 0.275,1345 0.143,1346 9.13,1347 5.002,1348 8.556,1349 0.175,1350 0.071,1351 7.894,1352 3.496,1353 6.809,1354 0.103,1355 0.034,1356 6.701,1357 2.265,1358 5.709,1359 0.066,1360 0.018,1361 5.509,1362 1.548,1363 0.42,1364 67.084,1365 0.255,1366 20.956,1367 0.861,1368 118,1369 417.466,1370 134.065,1371 381.836,1372 517.19,1373 354,1374 143,1375 388.079,1376 160.169,1377 384.849,1378 567.96,1379 362,1380 5.186}
{0 CHEMBL1242379,1 1.596,2 8.125,3 2.598,4 6.751,5 94.127,6 7.276,7 0.615,8 3.912,9 4.041,10 3.46,11 3.364,12 5.056,13 3.364,14 4.433,15 4.626,16 3.846,17 3.733,18 5.486,19 3.733,20 4.579,21 4.744,22 3.963,23 3.909,24 5.701,25 3.891,26 4.827,27 5.072,28 3.973,29 3.998,30 5.856,31 3.939,32 4.754,33 4.969,34 3.813,35 3.972,36 5.75,37 3.894,38 4.679,39 4.888,40 3.784,41 3.919,42 5.723,43 3.826,44 4.785,45 5.06,46 3.566,47 3.809,48 5.771,49 3.676,50 4.619,51 4.918,52 3.333,53 3.542,54 5.48,55 3.395,56 0.063,57 0.683,58 9.739,59 3.759,60 11.156,61 5.187,62 0.301,63 1.035,64 18.558,65 5.903,66 27.044,67 8.406,68 0.313,69 1.265,70 20.347,71 6.429,72 23.495,73 9.511,74 0.451,75 1.429,76 28.662,77 8.619,78 44.753,79 13.092,80 0.442,81 1.344,82 25.971,83 7.887,84 38.411,85 11.773,86 0.24,87 1.277,88 23.162,89 8.089,90 28.785,91 12.148,92 0.559,93 1.211,94 28.537,95 7.863,96 58.547,97 12.615,98 0.433,99 0.899,100 25.224,101 7.473,102 40.689,103 11.576,104 46,105 39,106 0.276,107 0.619,108 0.713,109 0.739,110 0.747,111 0.755,112 3.23,113 0.875,114 -4.38,115 -4.31,116 -4.07,119 37.8,120 3,124 2,130 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 10,177 1,178 1,180 1,183 6,185 1,186 2,187 10,195 3,198 2,199 10,201 3,202 3,204 1,207 4,209 1,211 1,212 6,217 2,220 3,222 2,223 2,224 6,229 4,232 6,234 4,236 3,239 1,240 1,245 3,249 2,250 3,252 1,253 1,263 3,275 774,276 15.781,277 15.781,278 15.781,279 15.781,280 15.781,281 13.964,282 18.3,283 8.874,284 16.378,285 12.687,286 12.687,287 12.687,288 12.687,289 12.687,290 9.76,291 20.44,292 3.993,293 13.464,294 3.896,295 1.914,296 1.368,297 1.218,298 1.173,299 1.129,300 3.902,303 1,304 1,305 1,306 407,307 3.464,310 48.173,311 128.738,314 91.812,318 1.219,319 20.543,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 195,332 4.817,333 3.575,334 7.354,335 4.445,336 3.486,337 4.751,338 0.86,339 12.867,340 3.342,341 4.308,342 3.217,343 6.766,344 4.036,345 3.061,346 3.922,347 0.86,348 10.849,349 2.985,350 4.163,351 3.049,352 6.182,353 3.792,354 2.843,355 3.476,357 9.148,358 2.694,359 3.712,360 2.454,361 5.798,362 3.316,363 2.363,364 3.116,366 7.757,367 2.243,368 3.35,369 2.178,370 5.266,371 2.929,372 1.993,373 2.594,375 6.132,376 1.862,377 3.008,378 2.052,379 4.516,380 2.523,381 1.614,382 2.249,384 4.324,385 1.461,386 2.919,387 1.562,388 4.331,389 2.461,390 1.523,391 2.057,393 3.981,394 1.425,395 2.577,396 1.157,397 4.264,398 2.061,399 1.109,400 1.612,402 3.275,403 1.053,404 2.323,405 1.082,406 3.652,407 1.892,408 0.953,409 1.263,411 2.416,412 0.892,413 1.866,414 0.94,415 3.041,416 1.535,417 0.638,418 0.763,420 1.17,421 0.567,422 1.453,423 0.879,424 2.802,425 1.184,426 0.334,427 0.365,428 0.445,429 0.282,430 1.065,431 -0.002,432 2.702,433 0.638,434 -0.277,435 -0.349,436 -0.629,437 -0.253,438 0.867,439 -0.164,440 2.464,441 0.476,442 -0.449,443 -0.556,445 -0.866,446 -0.408,447 0.625,448 -0.56,449 2.388,450 0.166,451 -0.772,452 -1,454 -2.064,455 -0.713,456 0.571,457 -0.766,458 2.229,459 0.084,460 -0.861,461 -1,463 -2.446,464 -0.807,465 11.167,466 0.465,467 0.809,468 0.034,469 31.5,470 1.313,471 15.5,472 0.646,473 16,474 0.667,475 20.72,476 0.863,477 26.633,478 0.592,479 23.541,480 0.981,481 6.185,482 0.258,483 5.178,484 0.216,485 0.26,486 0.045,487 0.349,493 0.9,494 1.427,495 0.807,496 1.235,497 1.08,498 1.036,499 1.188,500 0.964,501 0.669,502 0.713,503 0.811,504 0.628,505 1.048,506 1.403,507 1.026,508 1.172,509 0.853,510 1.094,511 0.877,512 0.911,513 0.837,514 0.863,515 0.86,516 0.839,517 1.244,518 1.055,519 1.233,520 1.037,521 1.164,522 1.113,523 0.636,524 1.44,525 1.073,526 1.42,527 0.871,528 1.336,529 0.84,530 0.907,531 1.128,532 1.033,533 1.403,534 1.097,535 0.745,536 0.831,537 0.79,538 0.933,539 0.56,540 0.886,541 6,542 0.012,543 3.556,544 2.347,545 2.332,546 1.188,547 0.687,548 0.512,549 0.335,550 0.101,551 5155,552 13788,553 1.982,554 46.7,556 9,558 1,559 2,561 9,564 1.677,565 1.789,566 3.007,567 0.337,568 1,569 1,571 1,573 71.798,574 1.596,575 3.578,576 4.124,577 4.274,578 4.319,579 4.363,580 2.44,581 4.387,582 4.556,583 3.148,584 868.897,585 7.906,586 9795.95,588 1,590 1,591 247.133,592 1.75,593 4.469,594 0.231,595 0.003,596 0.091,597 0.056,598 0.056,599 0.034,600 0.021,601 0.021,602 0.018,603 0.008,604 0.539,605 0.17,606 1,607 1.066,608 110.809,609 -0.005,610 -0.167,611 0.066,612 -0.12,613 -0.162,614 -0.029,615 -0.022,616 0.127,617 0.299,618 0.305,619 0.141,620 0.342,621 -0.03,622 -0.194,623 -0.107,624 -0.147,625 0.005,626 -0.138,627 0.035,628 0.119,629 0.133,630 0.103,631 0.109,632 0.129,633 -0.235,634 0.027,635 -0.283,636 -0.046,637 -0.232,638 -0.152,639 0.072,640 -0.356,641 -0.169,642 -0.37,643 0.033,644 -0.323,645 0.065,646 0.055,647 -0.139,648 -0.11,649 -0.196,650 -0.143,651 0.225,652 -0.03,653 0.233,654 0.02,655 0.322,656 0.114,657 1.492,658 2.117,659 0.625,660 17.688,661 1.005,662 1.138,663 3.148,664 9.911,665 0.645,666 3.296,667 3.689,668 3.989,669 4.304,670 4.564,671 4.727,672 4.812,673 4.92,674 4.934,675 4.89,676 5.057,677 0.617,678 327.43,679 3.296,680 4.875,681 5.753,682 6.678,683 7.583,684 8.515,685 9.431,686 10.365,687 11.286,688 12.221,689 11.1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 45,733 16,734 1,735 26,737 47,738 17,739 11,740 3,741 3,746 3,747 4,752 3,761 11,762 6,763 1,777 1,778 1,781 21,782 6,783 2,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 5,848 24,849 1,856 2,860 1,870 4.4,875 2,877 13.417,878 9.8,879 5.25,880 2.43,881 3.148,882 1.441,883 0.944,884 4.197,885 10.279,886 3.555,887 4.245,888 4.926,889 5.603,890 6.192,891 6.627,892 7.061,893 7.509,894 7.79,895 8.079,896 1,897 42,898 8.8,900 3.653,901 7.705,902 16.689,904 13.306,905 2.205,906 52.917,909 1,910 223.651,911 108.334,912 84.908,914 22,917 108.334,918 245.651,919 84.908,920 48.242,922 61.326,923 63.72,924 51.397,925 2.328,926 211.88,928 223.651,929 193.242,930 22,933 117.711,934 127.94,937 41.343,938 101.665,939 50.234,941 223.651,942 106.908,943 108.334,946 223.651,947 23.045,948 87.066,950 105.131,951 223.651,952 106.908,953 108.334,955 0.595,956 0.357,957 0.198,958 0.112,959 20,960 10,961 0.085,962 4,963 1,964 1.133,965 3.338,966 206.144,967 0.133,968 15,969 105.284,974 16.681,975 6.039,976 2.866,977 1.444,978 105.131,979 7.096,980 13.267,984 3.273,985 1.867,986 32.897,987 438.893,988 34,999 45.232,1000 51.232,1001 0.291,1002 0.652,1003 0.751,1004 0.778,1005 0.786,1006 0.794,1007 4.828,1008 1.109,1009 5.814,1010 3.981,1011 4.369,1012 4.931,1013 1.376,1014 6.744,1015 4.267,1016 6.1,1017 0.953,1018 7.459,1019 3.275,1020 4.29,1021 4.987,1023 8.034,1024 4.171,1025 7.466,1026 0.638,1027 9.213,1028 2.416,1029 6.129,1030 7.277,1031 1.159,1032 11.109,1033 5.95,1034 8.871,1035 0.334,1036 11.031,1037 1.17,1038 6.825,1039 8.133,1041 13.163,1042 6.623,1043 10.308,1044 -0.277,1045 12.887,1046 0.445,1047 8.228,1048 9.954,1049 0.963,1050 15.848,1051 7.98,1052 11.768,1053 -0.449,1054 14.77,1055 -0.629,1056 9.234,1057 11.179,1059 18.188,1060 8.952,1061 13.245,1062 -0.772,1063 16.672,1064 -0.866,1065 10.499,1066 12.823,1067 0.787,1068 20.76,1069 10.178,1070 3.486,1071 -0.861,1072 18.589,1073 -2.064,1074 11.629,1075 14.222,1077 23.215,1078 11.27,1079 3.061,1080 12.867,1081 20.516,1082 -2.446,1083 12.855,1084 15.799,1085 0.634,1086 25.757,1087 12.456,1088 2.843,1089 10.849,1090 22.453,1091 4.751,1092 14.038,1093 17.279,1095 28.261,1096 13.598,1097 2.363,1098 9.148,1099 24.397,1100 3.922,1101 15.256,1102 18.834,1103 0.504,1104 30.798,1105 14.777,1106 1.993,1107 7.757,1108 26.348,1109 3.476,1110 16.464,1111 20.352,1113 33.323,1114 15.943,1115 1.614,1116 6.132,1117 28.303,1118 3.116,1119 17.685,1120 21.902,1121 0.395,1122 35.863,1123 17.123,1124 1.523,1125 4.324,1126 30.263,1127 2.594,1128 18.905,1129 23.439,1131 38.399,1132 18.301,1133 5230,1134 8685,1135 16.414,1136 29.029,1137 40.222,1138 40.703,1139 42.339,1140 39.702,1141 39.835,1142 52.337,1143 3.44,1144 124.724,1145 37.608,1146 5.508,1147 5.575,1148 6.908,1149 5.518,1150 5.486,1151 7.751,1152 1.72,1153 20.803,1154 5.342,1155 14.778,1156 1.547,1157 1.565,1158 1.628,1159 1.527,1160 1.532,1161 2.013,1162 0.132,1163 4.797,1164 1.446,1165 4.14,1166 4.186,1167 4.123,1168 3.999,1169 5.258,1170 4.023,1171 3.86,1172 3.88,1173 3.815,1174 3.743,1175 4.944,1176 3.758,1177 3.646,1178 3.714,1179 3.524,1180 3.501,1181 4.839,1182 3.495,1183 3.302,1184 3.364,1185 3.206,1186 3.053,1187 4.524,1188 3.083,1189 3.247,1190 3.314,1191 3.051,1192 2.951,1193 4.495,1194 2.96,1195 3.131,1196 3.228,1197 2.979,1198 2.858,1199 4.292,1200 2.872,1201 2.989,1202 3.098,1203 2.859,1204 2.686,1205 4.105,1206 2.722,1207 2.874,1208 3.009,1209 2.594,1210 2.636,1211 3.687,1212 2.616,1213 0.185,1214 0.137,1215 0.283,1216 0.171,1217 0.134,1218 4.817,1219 0.183,1220 3.575,1221 0.033,1222 7.354,1223 0.495,1224 4.445,1225 0.129,1226 3.486,1227 4.751,1228 0.86,1229 12.867,1230 3.342,1231 1.926,1232 1.91,1233 1.998,1234 2.046,1235 1.199,1236 2.027,1237 1.821,1238 1.772,1239 1.984,1240 2.002,1241 1.123,1242 1.993,1243 1.66,1244 1.609,1245 1.782,1246 1.846,1247 0.842,1248 1.839,1249 1.242,1250 1.185,1251 1.576,1252 1.529,1253 0.574,1254 1.54,1255 1.191,1256 1.115,1257 1.565,1258 1.523,1259 0.572,1260 1.535,1261 1.067,1262 0.981,1263 1.417,1264 1.372,1265 0.469,1266 1.35,1267 0.934,1268 0.804,1269 1.417,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.804,1275 1.239,1276 1.239,1277 0.247,1278 1.308,1279 3.97,1281 5.342,1282 2.398,1283 6.915,1284 4.844,1285 8.578,1286 7.096,1287 10.289,1289 9.403,1293 6.117,1297 10.69,1301 -0.242,1305 27.751,1306 71.798,1307 161.02,1308 185.585,1309 192.339,1310 194.339,1311 196.339,1312 37.822,1313 7.131,1314 88.08,1315 88.08,1316 17,1317 12.723,1318 4.087,1319 3.17,1320 38.92,1321 71,1322 80,1323 0.276,1324 173.132,1325 286.98,1326 414.203,1327 9913,1329 17.483,1330 0.728,1331 0.604,1332 17.483,1333 14.492,1334 11.363,1335 0.437,1336 0.292,1337 7.425,1338 10.737,1339 7.034,1340 5.97,1341 11.363,1342 7.586,1343 10.931,1344 0.28,1345 0.166,1346 10.931,1347 6.459,1348 8.833,1349 0.167,1350 0.071,1351 8.833,1352 3.786,1353 7.608,1354 0.104,1355 0.036,1356 7.608,1357 2.628,1358 6.202,1359 0.065,1360 0.019,1361 6.202,1362 1.796,1363 0.412,1364 72.527,1365 0.247,1366 22.614,1367 0.826,1368 130,1369 389.364,1370 145.526,1371 372.727,1372 519.91,1373 350,1374 157,1375 398.736,1376 174.053,1377 406.41,1378 594.47,1379 376,1380 6.333}
{0 CHEMBL1242380,1 1.652,2 9.16,3 1.639,4 2.685,5 95.897,6 7.466,7 0.593,8 3.944,9 4.067,10 3.502,11 3.373,12 5.117,13 3.386,14 4.456,15 4.638,16 3.837,17 3.738,18 5.537,19 3.738,20 4.604,21 4.782,22 3.967,23 3.88,24 5.716,25 3.866,26 4.777,27 4.996,28 3.969,29 3.935,30 5.881,31 3.901,32 4.76,33 4.979,34 3.87,35 3.94,36 5.808,37 3.882,38 4.714,39 4.932,40 3.82,41 3.902,42 5.787,43 3.83,44 4.71,45 4.954,46 3.749,47 3.807,48 5.746,49 3.723,50 4.641,51 4.879,52 3.547,53 3.645,54 5.792,55 3.556,56 0.116,57 0.69,58 9.78,59 3.796,60 13.901,61 5.087,62 0.4,63 1.033,64 18.718,65 5.964,66 34.505,67 8.238,68 0.375,69 1.22,70 20.971,71 6.84,72 30.271,73 9.975,74 0.618,75 1.341,76 26.89,77 7.685,78 53.668,79 11.384,80 0.564,81 1.317,82 26.204,83 7.546,84 45.06,85 11.448,86 0.45,87 1.263,88 24.371,89 7.577,90 42.033,91 11.541,92 0.482,93 1.147,94 25.544,95 7.854,96 42.428,97 12.058,98 0.646,99 0.995,100 24.459,101 6.595,102 66.878,103 10.046,104 37,105 38,106 0.284,107 0.666,108 0.813,109 0.838,110 0.845,111 0.853,112 3.268,113 0.877,114 -3.63,115 -3.6,116 -3.43,119 37,120 1,122 1,124 2,125 2,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 8,177 1,178 1,180 2,183 3,185 1,186 2,187 9,192 1,195 3,198 2,199 9,201 3,202 4,204 1,207 2,209 1,211 1,212 7,215 1,217 2,220 2,222 2,223 2,224 4,227 1,229 3,232 3,234 2,236 3,237 1,239 1,240 1,242 2,245 3,247 1,249 2,250 1,252 1,253 2,254 1,255 2,257 1,258 1,263 2,268 1,275 915,276 17.041,277 17.041,278 17.041,279 17.041,280 17.041,281 15.186,282 16.216,283 9.83,284 17.644,285 13.113,286 13.113,287 13.113,288 13.113,289 13.113,290 10.153,291 14.645,292 4.381,293 13.917,294 3.872,295 1.653,296 0.805,297 0.658,298 0.614,299 0.571,300 3.946,303 1,304 1,305 1,306 476,307 3.317,310 51.628,311 136.646,314 98.176,318 1.312,319 26.337,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 229,332 4.747,333 3.357,334 7.003,335 4.283,336 3.318,337 4.724,338 0.86,339 11.966,340 3.204,341 4.258,342 3.171,343 6.205,344 3.832,345 2.883,346 3.915,347 0.86,348 9.24,349 2.733,350 3.76,351 2.611,352 5.919,353 3.455,354 2.494,355 3.163,357 8.18,358 2.394,359 3.695,360 2.449,361 5.613,362 3.309,363 2.355,364 3.103,366 7.256,367 2.239,368 3.241,369 2.196,370 4.969,371 3.048,372 2.094,373 2.297,375 5.677,376 1.99,377 3.01,378 2.175,379 4.516,380 2.523,381 1.614,382 2.247,384 4.327,385 1.461,386 2.919,387 1.564,388 4.373,389 2.462,390 1.525,391 2.057,393 3.994,394 1.425,395 2.69,396 1.458,397 4.33,398 2.254,399 1.31,400 1.76,402 3.773,403 1.233,404 2.461,405 1.155,406 3.662,407 1.97,408 1.043,409 1.446,411 2.54,412 0.964,413 1.869,414 0.951,415 3.041,416 1.542,417 0.646,418 0.769,420 1.178,421 0.573,422 1.454,423 0.926,424 2.868,425 1.244,426 0.364,427 0.38,428 0.522,429 0.316,430 1.411,431 0.866,432 2.702,433 1.183,434 0.332,435 0.358,436 0.443,437 0.28,438 1.086,439 -0.001,440 2.465,441 0.715,442 -0.206,443 -0.246,445 -0.482,446 -0.189,447 0.868,448 -0.04,449 2.402,450 0.54,451 -0.398,452 -0.465,454 -0.779,455 -0.368,456 0.803,457 -0.334,458 2.244,459 0.438,460 -0.485,461 -0.611,463 -1.11,464 -0.444,465 11.5,466 0.46,467 0.589,468 0.024,469 32.25,470 1.29,471 15.5,472 0.62,473 16.75,474 0.67,475 20.232,476 0.809,477 28.1,478 0.611,479 24.783,480 0.991,481 6.519,482 0.261,483 5.565,484 0.223,485 0.194,487 0.383,493 0.954,494 1.417,495 0.806,496 1.215,497 1.044,498 1.013,499 1.209,500 0.953,501 0.819,502 0.781,503 0.946,504 0.736,505 0.867,506 1.378,507 0.845,508 1.141,509 0.762,510 1.007,511 1.055,512 0.966,513 0.968,514 0.903,515 1.102,516 0.913,517 1.05,518 1.066,519 1.094,520 0.973,521 0.791,522 1.021,523 0.747,524 1.191,525 1.076,526 1.212,527 0.904,528 1.196,529 0.628,530 1.115,531 0.87,532 1.142,533 0.732,534 1.066,535 1.07,536 0.989,537 1.203,538 1.132,539 1.076,540 1.182,541 5,542 0.074,543 3.111,544 2.167,545 1.842,546 0.973,547 0.746,548 0.545,549 0.265,550 0.162,551 5994,552 17621,553 2.015,554 45.7,555 3,556 13,558 1,559 3,562 1,564 1.688,565 1.852,566 3.173,567 1.045,568 1,569 1,573 75.994,574 1.652,575 3.87,576 4.719,577 4.866,578 4.909,579 4.953,580 2.649,581 4.484,582 4.611,583 3.287,584 986.057,585 8.018,586 11585.8,588 1,590 1,591 254.084,592 1.516,593 4.555,594 0.185,595 0.009,596 0.082,597 0.052,598 0.045,599 0.026,600 0.022,601 0.018,602 0.012,603 0.012,604 0.462,605 0.33,606 1,607 1.389,608 118.182,609 -0.07,610 -0.146,611 0.044,612 -0.085,613 -0.152,614 -0.01,615 -0.124,616 0.157,617 0.125,618 0.249,619 -0.058,620 0.233,621 0.029,622 -0.24,623 0.064,624 -0.091,625 0.039,626 -0.019,627 -0.051,628 0.099,629 -0.003,630 0.059,631 -0.068,632 0.034,633 -0.136,634 0.007,635 -0.148,636 0.009,637 -0.056,638 -0.058,639 0.018,640 -0.097,641 -0.159,642 -0.206,643 -0.062,644 -0.211,645 0.178,646 -0.138,647 0.087,648 -0.145,649 0.108,650 -0.061,651 0.035,652 -0.023,653 -0.202,654 -0.199,655 0.084,656 -0.241,657 1.437,658 3.344,659 0.6,660 21.104,661 1.012,662 1.14,663 2.4,664 5.759,665 0.641,666 3.332,667 3.664,668 3.989,669 4.29,670 4.543,671 4.682,672 4.852,673 4.97,674 4.984,675 4.92,676 5.451,677 0.619,678 343.43,679 3.332,680 4.875,681 5.746,682 6.645,683 7.543,684 8.453,685 9.362,686 10.279,687 11.194,688 12.114,689 10.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 46,733 16,734 1,735 27,737 48,738 17,739 11,740 3,741 3,746 3,747 4,752 2,761 11,762 6,763 1,777 1,778 1,781 21,782 7,783 3,784 8,790 5,794 0.667,795 3,796 1,803 1,806 1,811 1,812 2,815 1,838 1,840 2,844 3,848 25,849 1,853 1,854 2,856 2,858 1,870 6.5,871 1,875 2,877 13.5,878 9.083,879 5.75,880 2.497,881 3.136,882 1.435,883 0.933,884 5.18,885 10.341,886 3.584,887 4.23,888 4.912,889 5.579,890 6.161,891 6.573,892 7.046,893 7.494,894 7.783,895 8.047,896 1,897 42,898 9.178,900 3.807,901 7.82,902 17.287,904 13.714,905 2.32,906 58,910 211.88,911 92.79,912 84.908,914 64.683,917 92.79,918 276.563,919 84.908,920 30.591,921 2.106,922 104.009,923 63.72,924 51.397,925 2.328,926 200.109,928 211.88,929 177.698,930 64.683,933 200.109,934 33.771,935 42.683,937 25.798,938 101.665,939 50.234,941 211.88,942 149.591,943 92.79,946 211.88,947 25.151,948 69.415,950 147.814,951 211.88,952 149.591,953 92.79,955 0.573,956 0.358,957 0.197,958 0.111,959 18,960 9,961 0.125,962 6,963 1,964 1.133,965 3.511,966 212.206,967 0.133,968 15,969 116.096,974 17.61,975 7.354,976 3.309,977 1.317,978 147.814,979 6.954,980 13.08,984 3.075,985 1.75,986 75.581,987 454.261,988 35,999 46.56,1000 52.441,1001 0.299,1002 0.701,1003 0.854,1004 0.881,1005 0.889,1006 0.897,1007 4.82,1008 1.31,1009 5.746,1010 3.994,1011 4.344,1012 4.916,1013 1.376,1014 6.611,1015 4.238,1016 6.047,1017 1.043,1018 7.34,1019 3.773,1020 4.007,1021 4.856,1023 7.639,1024 3.883,1025 7.379,1026 0.646,1027 9.035,1028 2.54,1029 5.984,1030 7.227,1031 1.159,1032 10.772,1033 5.8,1034 8.754,1035 0.364,1036 10.789,1037 1.178,1038 6.479,1039 8.033,1041 12.645,1042 6.268,1043 10.164,1044 0.332,1045 12.582,1046 0.522,1047 7.933,1048 9.888,1049 0.963,1050 15.319,1051 7.68,1052 11.601,1053 -0.206,1054 14.402,1055 0.443,1056 8.805,1057 11.094,1059 17.545,1060 8.519,1061 13.059,1062 -0.398,1063 16.243,1064 -0.482,1065 10.07,1066 12.751,1067 0.787,1068 20.074,1069 9.749,1070 3.318,1071 -0.485,1072 18.099,1073 -0.779,1074 11.112,1075 14.143,1077 22.448,1078 10.757,1079 2.883,1080 11.966,1081 19.969,1082 -1.11,1083 12.313,1084 15.724,1085 0.634,1086 24.935,1087 11.925,1088 2.494,1089 9.24,1090 21.849,1091 4.724,1092 13.432,1093 17.2,1095 27.369,1096 13.01,1097 2.355,1098 8.18,1099 23.739,1100 3.915,1101 14.615,1102 18.755,1103 0.504,1104 29.846,1105 14.16,1106 2.094,1107 7.256,1108 25.636,1109 3.163,1110 15.769,1111 20.269,1113 32.306,1114 15.282,1115 1.614,1116 5.677,1117 27.539,1118 3.103,1119 16.95,1120 21.816,1121 0.395,1122 34.783,1123 16.43,1124 1.525,1125 4.327,1126 29.449,1127 2.297,1128 18.122,1129 23.348,1131 37.254,1132 17.569,1133 6063,1134 10497,1135 17.512,1136 29.483,1137 39.919,1138 41.227,1139 43.073,1140 39.811,1141 39.957,1142 52.437,1143 3.44,1144 118.193,1145 37.625,1146 5.558,1147 5.357,1148 6.556,1149 5.357,1150 5.318,1151 7.724,1152 1.72,1153 19.355,1154 5.204,1155 14.274,1156 1.478,1157 1.527,1158 1.595,1159 1.474,1160 1.48,1161 1.942,1162 0.127,1163 4.378,1164 1.394,1165 4.132,1166 4.178,1167 4.115,1168 3.993,1169 6.456,1170 4.016,1171 3.856,1172 3.876,1173 3.812,1174 3.735,1175 5.257,1176 3.751,1177 3.67,1178 3.729,1179 3.535,1180 3.518,1181 4.943,1182 3.512,1183 3.327,1184 3.404,1185 3.249,1186 3.061,1187 4.834,1188 3.097,1189 3.247,1190 3.314,1191 3.068,1192 2.953,1193 4.514,1194 2.963,1195 3.213,1196 3.291,1197 3.05,1198 2.919,1199 4.494,1200 2.943,1201 2.999,1202 3.098,1203 2.867,1204 2.762,1205 4.243,1206 2.772,1207 2.963,1208 3.053,1209 2.709,1210 2.638,1211 4.015,1212 2.63,1213 0.176,1214 0.124,1215 0.259,1216 0.159,1217 0.123,1218 4.747,1219 0.175,1220 3.357,1221 0.032,1222 7.003,1223 0.443,1224 4.283,1225 0.119,1226 3.318,1227 4.724,1228 0.86,1229 11.966,1230 3.204,1231 1.926,1232 1.909,1233 1.994,1234 2.04,1235 1.265,1236 2.021,1237 1.8,1238 1.753,1239 1.966,1240 1.992,1241 1.126,1242 1.979,1243 1.666,1244 1.616,1245 1.795,1246 1.855,1247 0.87,1248 1.851,1249 1.289,1250 1.23,1251 1.576,1252 1.589,1253 0.59,1254 1.567,1255 1.192,1256 1.115,1257 1.569,1258 1.523,1259 0.574,1260 1.539,1261 1.15,1262 1.062,1263 1.429,1264 1.462,1265 0.536,1266 1.469,1267 0.935,1268 0.865,1269 1.347,1270 1.29,1271 0.436,1272 1.313,1273 0.927,1274 0.828,1275 1.168,1276 1.217,1277 0.205,1278 1.212,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.844,1285 8.501,1286 7.066,1287 10.187,1289 5.108,1293 6.088,1294 9.344,1295 0.588,1297 10.657,1299 0.039,1305 28.466,1306 75.994,1307 178.026,1308 217.064,1309 223.819,1310 225.819,1311 227.819,1312 43.387,1313 7.204,1314 108.31,1315 108.31,1316 17,1317 12.624,1318 4.087,1319 3.17,1320 41.421,1321 79,1322 87,1323 0.26,1324 177.128,1325 295.77,1326 423.953,1327 11098,1329 17.974,1330 0.719,1331 0.577,1332 17.974,1333 14.431,1334 12.083,1335 0.448,1336 0.292,1337 7.703,1338 11.377,1339 7.442,1340 6.248,1341 12.083,1342 7.889,1343 10.468,1344 0.275,1345 0.154,1346 10.468,1347 5.846,1348 9.26,1349 0.175,1350 0.076,1351 9.26,1352 4.012,1353 7.704,1354 0.107,1355 0.037,1356 7.704,1357 2.696,1358 6.322,1359 0.068,1360 0.02,1361 6.322,1362 1.824,1363 0.393,1364 77.617,1365 0.239,1366 23.679,1367 0.764,1368 130,1369 421.513,1370 146.299,1371 397.437,1372 545.17,1373 374,1374 156,1375 402.547,1376 174.049,1377 407.751,1378 597.6,1379 379,1380 6.244}
{0 CHEMBL1242381,1 1.652,2 9.16,3 1.639,4 2.685,5 95.897,6 7.466,7 0.593,8 3.944,9 4.067,10 3.502,11 3.373,12 5.117,13 3.386,14 4.456,15 4.638,16 3.837,17 3.738,18 5.537,19 3.738,20 4.604,21 4.782,22 3.967,23 3.88,24 5.716,25 3.866,26 4.777,27 4.996,28 3.969,29 3.935,30 5.881,31 3.901,32 4.76,33 4.979,34 3.87,35 3.94,36 5.808,37 3.882,38 4.714,39 4.932,40 3.82,41 3.902,42 5.787,43 3.83,44 4.71,45 4.954,46 3.749,47 3.807,48 5.746,49 3.723,50 4.641,51 4.879,52 3.547,53 3.645,54 5.792,55 3.556,56 0.116,57 0.69,58 9.78,59 3.796,60 13.901,61 5.087,62 0.4,63 1.033,64 18.718,65 5.964,66 34.505,67 8.238,68 0.375,69 1.22,70 20.971,71 6.84,72 30.271,73 9.975,74 0.618,75 1.341,76 26.89,77 7.685,78 53.668,79 11.384,80 0.564,81 1.317,82 26.204,83 7.546,84 45.06,85 11.448,86 0.45,87 1.263,88 24.371,89 7.577,90 42.033,91 11.541,92 0.482,93 1.147,94 25.544,95 7.854,96 42.428,97 12.058,98 0.646,99 0.995,100 24.459,101 6.595,102 66.878,103 10.046,104 37,105 38,106 0.284,107 0.666,108 0.813,109 0.838,110 0.845,111 0.853,112 3.268,113 0.877,114 -3.63,115 -3.6,116 -3.43,119 37,120 1,122 1,124 2,125 2,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 8,177 1,178 1,180 2,183 3,185 1,186 2,187 9,192 1,195 3,198 2,199 9,201 3,202 4,204 1,207 2,209 1,211 1,212 7,215 1,217 2,220 2,222 2,223 2,224 4,227 1,229 3,232 3,234 2,236 3,237 1,239 1,240 1,242 2,245 3,247 1,249 2,250 1,252 1,253 2,254 1,255 2,257 1,258 1,263 2,268 1,275 915,276 17.041,277 17.041,278 17.041,279 17.041,280 17.041,281 15.186,282 16.216,283 9.83,284 17.644,285 13.113,286 13.113,287 13.113,288 13.113,289 13.113,290 10.153,291 14.645,292 4.381,293 13.917,294 3.872,295 1.653,296 0.805,297 0.658,298 0.614,299 0.571,300 3.946,303 1,304 1,305 1,306 476,307 3.317,310 51.628,311 136.646,314 98.176,318 1.312,319 26.337,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 229,332 4.747,333 3.357,334 7.003,335 4.283,336 3.318,337 4.724,338 0.86,339 11.966,340 3.204,341 4.258,342 3.171,343 6.205,344 3.832,345 2.883,346 3.915,347 0.86,348 9.24,349 2.733,350 3.76,351 2.611,352 5.919,353 3.455,354 2.494,355 3.163,357 8.18,358 2.394,359 3.695,360 2.449,361 5.613,362 3.309,363 2.355,364 3.103,366 7.256,367 2.239,368 3.241,369 2.196,370 4.969,371 3.048,372 2.094,373 2.297,375 5.677,376 1.99,377 3.01,378 2.175,379 4.516,380 2.523,381 1.614,382 2.247,384 4.327,385 1.461,386 2.919,387 1.564,388 4.373,389 2.462,390 1.525,391 2.057,393 3.994,394 1.425,395 2.69,396 1.458,397 4.33,398 2.254,399 1.31,400 1.76,402 3.773,403 1.233,404 2.461,405 1.155,406 3.662,407 1.97,408 1.043,409 1.446,411 2.54,412 0.964,413 1.869,414 0.951,415 3.041,416 1.542,417 0.646,418 0.769,420 1.178,421 0.573,422 1.454,423 0.926,424 2.868,425 1.244,426 0.364,427 0.38,428 0.522,429 0.316,430 1.411,431 0.866,432 2.702,433 1.183,434 0.332,435 0.358,436 0.443,437 0.28,438 1.086,439 -0.001,440 2.465,441 0.715,442 -0.206,443 -0.246,445 -0.482,446 -0.189,447 0.868,448 -0.04,449 2.402,450 0.54,451 -0.398,452 -0.465,454 -0.779,455 -0.368,456 0.803,457 -0.334,458 2.244,459 0.438,460 -0.485,461 -0.611,463 -1.11,464 -0.444,465 11.5,466 0.46,467 0.589,468 0.024,469 32.25,470 1.29,471 15.5,472 0.62,473 16.75,474 0.67,475 20.232,476 0.809,477 28.1,478 0.611,479 24.783,480 0.991,481 6.519,482 0.261,483 5.565,484 0.223,485 0.194,487 0.383,493 0.954,494 1.417,495 0.806,496 1.215,497 1.044,498 1.013,499 1.209,500 0.953,501 0.819,502 0.781,503 0.946,504 0.736,505 0.867,506 1.378,507 0.845,508 1.141,509 0.762,510 1.007,511 1.055,512 0.966,513 0.968,514 0.903,515 1.102,516 0.913,517 1.05,518 1.066,519 1.094,520 0.973,521 0.791,522 1.021,523 0.747,524 1.191,525 1.076,526 1.212,527 0.904,528 1.196,529 0.628,530 1.115,531 0.87,532 1.142,533 0.732,534 1.066,535 1.07,536 0.989,537 1.203,538 1.132,539 1.076,540 1.182,541 5,542 0.074,543 3.111,544 2.167,545 1.842,546 0.973,547 0.746,548 0.545,549 0.265,550 0.162,551 5994,552 17621,553 2.015,554 45.7,555 3,556 13,558 1,559 3,562 1,564 1.688,565 1.852,566 3.173,567 1.045,568 1,569 1,573 75.994,574 1.652,575 3.87,576 4.719,577 4.866,578 4.909,579 4.953,580 2.649,581 4.484,582 4.611,583 3.287,584 986.057,585 8.018,586 11585.8,588 1,590 1,591 254.084,592 1.516,593 4.555,594 0.185,595 0.009,596 0.082,597 0.052,598 0.045,599 0.026,600 0.022,601 0.018,602 0.012,603 0.012,604 0.462,605 0.33,606 1,607 1.389,608 118.182,609 -0.07,610 -0.146,611 0.044,612 -0.085,613 -0.152,614 -0.01,615 -0.124,616 0.157,617 0.125,618 0.249,619 -0.058,620 0.233,621 0.029,622 -0.24,623 0.064,624 -0.091,625 0.039,626 -0.019,627 -0.051,628 0.099,629 -0.003,630 0.059,631 -0.068,632 0.034,633 -0.136,634 0.007,635 -0.148,636 0.009,637 -0.056,638 -0.058,639 0.018,640 -0.097,641 -0.159,642 -0.206,643 -0.062,644 -0.211,645 0.178,646 -0.138,647 0.087,648 -0.145,649 0.108,650 -0.061,651 0.035,652 -0.023,653 -0.202,654 -0.199,655 0.084,656 -0.241,657 1.437,658 3.344,659 0.6,660 21.104,661 1.012,662 1.14,663 2.4,664 5.759,665 0.641,666 3.332,667 3.664,668 3.989,669 4.29,670 4.543,671 4.682,672 4.852,673 4.97,674 4.984,675 4.92,676 5.451,677 0.619,678 343.43,679 3.332,680 4.875,681 5.746,682 6.645,683 7.543,684 8.453,685 9.362,686 10.279,687 11.194,688 12.114,689 10.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 46,733 16,734 1,735 27,737 48,738 17,739 11,740 3,741 3,746 3,747 4,752 2,761 11,762 6,763 1,777 1,778 1,781 21,782 7,783 3,784 8,790 5,794 0.667,795 3,796 1,803 1,806 1,811 1,812 2,815 1,838 1,840 2,844 3,848 25,849 1,853 1,854 2,856 2,858 1,870 6.5,871 1,875 2,877 13.5,878 9.083,879 5.75,880 2.497,881 3.136,882 1.435,883 0.933,884 5.18,885 10.341,886 3.584,887 4.23,888 4.912,889 5.579,890 6.161,891 6.573,892 7.046,893 7.494,894 7.783,895 8.047,896 1,897 42,898 9.178,900 3.807,901 7.82,902 17.287,904 13.714,905 2.32,906 58,910 211.88,911 92.79,912 84.908,914 64.683,917 92.79,918 276.563,919 84.908,920 30.591,921 2.106,922 104.009,923 63.72,924 51.397,925 2.328,926 200.109,928 211.88,929 177.698,930 64.683,933 200.109,934 33.771,935 42.683,937 25.798,938 101.665,939 50.234,941 211.88,942 149.591,943 92.79,946 211.88,947 25.151,948 69.415,950 147.814,951 211.88,952 149.591,953 92.79,955 0.573,956 0.358,957 0.197,958 0.111,959 18,960 9,961 0.125,962 6,963 1,964 1.133,965 3.511,966 212.206,967 0.133,968 15,969 116.096,974 17.61,975 7.354,976 3.309,977 1.317,978 147.814,979 6.954,980 13.08,984 3.075,985 1.75,986 75.581,987 454.261,988 35,999 46.56,1000 52.441,1001 0.299,1002 0.701,1003 0.854,1004 0.881,1005 0.889,1006 0.897,1007 4.82,1008 1.31,1009 5.746,1010 3.994,1011 4.344,1012 4.916,1013 1.376,1014 6.611,1015 4.238,1016 6.047,1017 1.043,1018 7.34,1019 3.773,1020 4.007,1021 4.856,1023 7.639,1024 3.883,1025 7.379,1026 0.646,1027 9.035,1028 2.54,1029 5.984,1030 7.227,1031 1.159,1032 10.772,1033 5.8,1034 8.754,1035 0.364,1036 10.789,1037 1.178,1038 6.479,1039 8.033,1041 12.645,1042 6.268,1043 10.164,1044 0.332,1045 12.582,1046 0.522,1047 7.933,1048 9.888,1049 0.963,1050 15.319,1051 7.68,1052 11.601,1053 -0.206,1054 14.402,1055 0.443,1056 8.805,1057 11.094,1059 17.545,1060 8.519,1061 13.059,1062 -0.398,1063 16.243,1064 -0.482,1065 10.07,1066 12.751,1067 0.787,1068 20.074,1069 9.749,1070 3.318,1071 -0.485,1072 18.099,1073 -0.779,1074 11.112,1075 14.143,1077 22.448,1078 10.757,1079 2.883,1080 11.966,1081 19.969,1082 -1.11,1083 12.313,1084 15.724,1085 0.634,1086 24.935,1087 11.925,1088 2.494,1089 9.24,1090 21.849,1091 4.724,1092 13.432,1093 17.2,1095 27.369,1096 13.01,1097 2.355,1098 8.18,1099 23.739,1100 3.915,1101 14.615,1102 18.755,1103 0.504,1104 29.846,1105 14.16,1106 2.094,1107 7.256,1108 25.636,1109 3.163,1110 15.769,1111 20.269,1113 32.306,1114 15.282,1115 1.614,1116 5.677,1117 27.539,1118 3.103,1119 16.95,1120 21.816,1121 0.395,1122 34.783,1123 16.43,1124 1.525,1125 4.327,1126 29.449,1127 2.297,1128 18.122,1129 23.348,1131 37.254,1132 17.569,1133 6063,1134 10497,1135 17.512,1136 29.483,1137 39.919,1138 41.227,1139 43.073,1140 39.811,1141 39.957,1142 52.437,1143 3.44,1144 118.193,1145 37.625,1146 5.558,1147 5.357,1148 6.556,1149 5.357,1150 5.318,1151 7.724,1152 1.72,1153 19.355,1154 5.204,1155 14.274,1156 1.478,1157 1.527,1158 1.595,1159 1.474,1160 1.48,1161 1.942,1162 0.127,1163 4.378,1164 1.394,1165 4.132,1166 4.178,1167 4.115,1168 3.993,1169 6.456,1170 4.016,1171 3.856,1172 3.876,1173 3.812,1174 3.735,1175 5.257,1176 3.751,1177 3.67,1178 3.729,1179 3.535,1180 3.518,1181 4.943,1182 3.512,1183 3.327,1184 3.404,1185 3.249,1186 3.061,1187 4.834,1188 3.097,1189 3.247,1190 3.314,1191 3.068,1192 2.953,1193 4.514,1194 2.963,1195 3.213,1196 3.291,1197 3.05,1198 2.919,1199 4.494,1200 2.943,1201 2.999,1202 3.098,1203 2.867,1204 2.762,1205 4.243,1206 2.772,1207 2.963,1208 3.053,1209 2.709,1210 2.638,1211 4.015,1212 2.63,1213 0.176,1214 0.124,1215 0.259,1216 0.159,1217 0.123,1218 4.747,1219 0.175,1220 3.357,1221 0.032,1222 7.003,1223 0.443,1224 4.283,1225 0.119,1226 3.318,1227 4.724,1228 0.86,1229 11.966,1230 3.204,1231 1.926,1232 1.909,1233 1.994,1234 2.04,1235 1.265,1236 2.021,1237 1.8,1238 1.753,1239 1.966,1240 1.992,1241 1.126,1242 1.979,1243 1.666,1244 1.616,1245 1.795,1246 1.855,1247 0.87,1248 1.851,1249 1.289,1250 1.23,1251 1.576,1252 1.589,1253 0.59,1254 1.567,1255 1.192,1256 1.115,1257 1.569,1258 1.523,1259 0.574,1260 1.539,1261 1.15,1262 1.062,1263 1.429,1264 1.462,1265 0.536,1266 1.469,1267 0.935,1268 0.865,1269 1.347,1270 1.29,1271 0.436,1272 1.313,1273 0.927,1274 0.828,1275 1.168,1276 1.217,1277 0.205,1278 1.212,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.844,1285 8.501,1286 7.066,1287 10.187,1289 5.108,1293 6.088,1294 9.344,1295 0.588,1297 10.657,1299 0.039,1305 28.466,1306 75.994,1307 178.026,1308 217.064,1309 223.819,1310 225.819,1311 227.819,1312 43.387,1313 7.204,1314 108.31,1315 108.31,1316 17,1317 12.624,1318 4.087,1319 3.17,1320 41.421,1321 79,1322 87,1323 0.26,1324 177.128,1325 295.77,1326 423.953,1327 11098,1329 17.974,1330 0.719,1331 0.577,1332 17.974,1333 14.431,1334 12.083,1335 0.448,1336 0.292,1337 7.703,1338 11.377,1339 7.442,1340 6.248,1341 12.083,1342 7.889,1343 10.468,1344 0.275,1345 0.154,1346 10.468,1347 5.846,1348 9.26,1349 0.175,1350 0.076,1351 9.26,1352 4.012,1353 7.704,1354 0.107,1355 0.037,1356 7.704,1357 2.696,1358 6.322,1359 0.068,1360 0.02,1361 6.322,1362 1.824,1363 0.393,1364 77.617,1365 0.239,1366 23.679,1367 0.764,1368 130,1369 421.513,1370 146.299,1371 397.437,1372 545.17,1373 374,1374 156,1375 402.547,1376 174.049,1377 407.751,1378 597.6,1379 379,1380 5.824}
{0 CHEMBL1242382,1 1.377,2 10.571,3 4.513,4 20.366,5 113.214,6 7.776,7 0.844,8 3.967,9 4.088,10 3.592,11 3.593,12 5.102,13 3.57,14 4.452,15 4.607,16 3.948,17 3.989,18 5.531,19 3.946,20 4.687,21 4.885,22 3.996,23 4.099,24 5.691,25 4.031,26 4.736,27 4.955,28 3.931,29 4.055,30 5.75,31 3.968,32 4.706,33 4.946,34 3.842,35 3.981,36 5.65,37 3.897,38 4.624,39 4.846,40 3.856,41 3.946,42 5.655,43 3.884,44 4.642,45 4.876,46 3.822,47 3.958,48 5.643,49 3.881,50 4.563,51 4.788,52 3.72,53 3.902,54 5.573,55 3.81,56 0.06,57 0.71,58 8.553,59 3.821,60 9.504,61 4.964,62 0.149,63 1.149,64 15.092,65 6.456,66 15.669,67 8.556,68 0.145,69 1.406,70 21.103,71 8.513,72 20.898,73 11.594,74 0.273,75 1.499,76 23.12,77 8.854,78 32.186,79 12.165,80 0.204,81 1.428,82 23.59,83 8.36,84 27.167,85 11.572,86 0.2,87 1.349,88 20.886,89 7.169,90 29.773,91 9.747,92 0.202,93 1.342,94 21.88,95 7.777,96 29.211,97 10.697,98 0.142,99 1.215,100 19.751,101 7.64,102 24.822,103 10.523,104 2,105 45,106 0.229,107 0.542,108 0.678,109 0.809,110 0.853,111 0.867,112 3.375,113 0.871,114 -6.36,115 -6.19,116 -5.75,119 48.9,121 1,125 1,142 12,143 5,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 18,174 2,175 6,177 1,178 1,180 1,183 23,185 1,186 1,187 5,195 19,198 2,199 10,201 3,202 3,204 1,207 10,209 1,212 13,217 2,220 6,222 2,224 14,229 3,232 7,234 3,237 11,242 3,245 9,247 3,250 8,255 4,258 11,260 4,263 4,268 3,271 13,273 3,275 1252,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 16.419,282 9.712,283 11.662,284 19.815,285 15.847,286 15.847,287 15.847,288 15.847,289 15.847,290 11.172,291 6.471,292 5.569,293 16.248,294 4.178,295 2.295,296 1.476,297 0.689,298 0.426,299 0.34,300 4.093,304 1,305 1,306 666,307 2.55,310 53.175,311 277.563,314 102.101,315 107.279,318 1.684,319 15.565,321 1,322 0.75,323 0.83,324 0.83,325 0.5,327 0.83,328 1,329 0.68,330 58.5,331 296,332 4.748,333 3.344,334 7.002,335 4.283,336 3.316,337 4.729,339 11.958,340 3.208,341 4.393,342 2.913,343 6.217,344 3.9,345 2.906,346 4.323,348 9.315,349 2.886,350 3.906,351 2.737,352 5.913,353 3.536,354 2.543,355 3.448,357 8.156,358 2.528,359 3.793,360 2.437,361 5.592,362 3.377,363 2.401,364 3.278,366 7.199,367 2.34,368 3.676,369 2.391,370 5.33,371 3.235,372 2.293,373 3.114,375 6.866,376 2.156,377 3.118,378 1.652,379 4.535,380 2.618,381 1.618,382 2.427,384 4.494,385 1.618,386 3.079,387 1.618,388 4.481,389 2.544,390 1.581,391 2.368,393 4.183,394 1.535,395 2.946,396 1.579,397 4.367,398 2.54,399 1.561,400 2.115,402 4.033,403 1.517,404 2.864,405 1.46,406 3.715,407 2.356,408 1.383,409 2.042,411 3.117,412 1.34,413 2.756,414 1.362,415 3.622,416 2.304,417 1.34,418 1.856,420 2.993,421 1.287,422 2.5,423 1.038,424 3.585,425 2,426 1.024,427 1.5,428 2.537,429 1,430 2.483,431 1,432 3.247,433 1.969,434 1,435 1.476,436 2.136,437 0.965,438 2.141,439 0.657,440 3.165,441 1.649,442 0.653,443 0.966,445 1.537,446 0.65,447 1.766,448 0.574,449 3.095,450 1.511,451 0.525,452 0.635,454 1.266,455 0.517,456 1.092,457 -0.088,458 2.682,459 0.678,460 -0.253,461 -0.32,463 -0.602,464 -0.233,465 13.5,466 0.482,467 0.551,468 0.02,469 42.5,470 1.518,471 24.5,472 0.875,473 18,474 0.643,475 18.845,476 0.673,477 27.3,478 0.581,479 30.208,480 1.079,481 8.404,482 0.3,483 5.389,484 0.192,485 0.03,487 0.326,493 0.847,494 1.032,495 0.741,496 0.869,497 1.023,498 0.808,499 0.798,500 0.992,501 0.851,502 0.945,503 0.706,504 0.912,505 0.945,506 1.127,507 0.923,508 1.029,509 0.843,510 0.985,511 0.92,512 1.07,513 1.044,514 1.097,515 0.955,516 1.086,517 1.355,518 1.081,519 1.013,520 0.943,521 0.934,522 0.941,523 1.581,524 1.099,525 1.054,526 0.913,527 1.419,528 0.923,529 1.389,530 0.973,531 0.996,532 0.86,533 1.27,534 0.88,535 1.092,536 1.063,537 1.02,538 1.021,539 0.964,540 1.015,541 4,542 0.082,543 2.889,544 1.729,545 1.735,546 0.719,547 0.536,548 0.528,549 0.211,550 0.125,551 10215,552 23971,553 2.223,554 40.4,556 14,558 1,559 2,561 2,564 1.714,565 2.154,566 3.363,567 0.176,573 64.703,574 1.377,575 3.259,576 4.078,577 4.866,578 5.129,579 5.214,580 2.869,581 4.352,582 4.775,583 3.512,584 1327.55,585 8.327,586 17103.9,588 1,591 261.066,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.038,598 0.042,599 0.019,600 0.014,601 0.014,602 0.006,603 0.005,604 0.332,605 0.17,606 0.75,607 0.343,608 139.047,609 0.07,610 0.036,611 0.057,612 0.041,613 -0.117,614 0.046,615 0.171,616 0.057,617 0.002,618 -0.021,619 0.068,620 -0.026,621 0.027,622 -0.124,623 0.005,624 -0.073,625 0.013,626 -0.044,627 0.221,628 -0.048,629 -0.074,630 -0.152,631 0.071,632 -0.147,633 -0.143,634 -0.062,635 -0.004,636 0.008,637 0.016,638 0.015,639 -0.24,640 -0.031,641 -0.073,642 0.003,643 -0.168,644 -0.012,645 -0.188,646 0.054,648 0.089,649 -0.099,650 0.07,651 -0.101,652 -0.079,653 -0.048,654 -0.049,655 0.079,656 -0.044,657 1.209,658 2.223,659 0.893,660 26.286,661 0.993,662 1.115,663 5.127,664 26.281,665 0.71,666 3.497,667 3.829,668 4.159,669 4.477,670 4.754,671 4.844,672 5.037,673 5.252,674 5.394,675 5.451,676 6.226,677 0.676,678 365.47,679 3.497,680 5.043,681 5.916,682 6.808,683 7.7,684 8.602,685 9.504,686 10.413,687 11.321,688 12.234,689 10.6,693 1,697 1,699 3,703 4,704 13,705 3,709 4,710 1,711 27,722 1,731 47,733 27,734 3,735 32,737 51,738 23,739 21,740 4,741 12,746 5,747 7,758 1,761 21,762 2,778 1,781 19,782 4,783 2,784 5,790 5,794 0.6,803 1,806 1,811 1,812 4,815 1,816 1,840 3,848 28,849 1,854 2,877 13,878 8.467,879 6.083,880 2.8,881 5.007,882 1.622,883 1.07,884 4.173,885 13.051,886 3.839,887 4.525,888 5.218,889 5.891,890 6.502,891 6.865,892 7.384,893 7.933,894 8.388,895 8.751,896 1,897 46,898 10.294,900 4.426,901 7.548,902 19.961,904 16.76,905 2.048,906 57.333,909 1,910 200.109,911 147.864,912 84.908,917 147.864,918 200.109,919 84.908,921 4.64,922 146.612,923 63.72,924 27.242,925 2.328,926 188.338,928 200.109,929 232.772,933 176.567,934 23.542,937 19.507,938 163.03,939 50.234,941 200.109,942 84.908,943 147.864,946 200.109,947 25.53,948 124.11,950 83.131,951 200.109,952 84.908,953 147.864,955 0.579,956 0.346,957 0.198,958 0.111,959 24,960 9,961 0.078,962 4,963 2,964 1.16,965 4.046,966 258.109,967 0.16,968 25,969 128.606,974 16.76,975 6.971,976 3.109,977 3.947,978 83.131,979 26.513,980 13.549,984 3.565,985 1.935,986 32.897,987 432.88,988 45.5,999 46.694,1000 52.398,1001 0.248,1002 0.587,1003 0.734,1004 0.876,1005 0.923,1006 0.939,1007 5.055,1008 1.561,1009 5.889,1010 4.183,1011 4.511,1012 5.212,1014 6.723,1015 4.463,1016 6.283,1017 1.383,1018 7.452,1019 4.033,1020 4.007,1021 5.007,1023 7.664,1024 3.931,1025 7.602,1026 1.34,1027 9.121,1028 3.117,1029 6.111,1030 7.537,1032 10.824,1033 6.018,1034 8.964,1035 1.024,1036 10.855,1037 2.993,1038 6.494,1039 8.238,1041 12.668,1042 6.369,1043 10.363,1044 1,1045 12.634,1046 2.537,1047 8.026,1048 10.183,1050 15.342,1051 7.885,1052 11.79,1053 0.653,1054 14.444,1055 2.136,1056 8.832,1057 11.324,1059 17.557,1060 8.655,1061 13.239,1062 0.525,1063 16.276,1064 1.537,1065 10.134,1066 13.023,1068 20.084,1069 9.937,1070 3.316,1071 -0.253,1072 18.127,1073 1.266,1074 11.141,1075 14.377,1077 22.452,1078 10.908,1079 2.906,1080 11.958,1081 19.992,1082 -0.602,1083 12.356,1084 15.974,1086 24.937,1087 12.097,1088 2.543,1089 9.315,1090 21.868,1091 4.729,1092 13.456,1093 17.426,1095 27.369,1096 13.161,1097 2.401,1098 8.156,1099 23.754,1100 4.323,1101 14.642,1102 18.983,1104 29.844,1105 14.317,1106 2.293,1107 7.199,1108 25.648,1109 3.448,1110 15.787,1111 20.481,1113 32.302,1114 15.425,1115 1.618,1116 6.866,1117 27.55,1118 3.278,1119 16.967,1120 22.024,1122 34.777,1123 16.572,1124 1.581,1125 4.494,1126 29.457,1127 3.114,1128 18.134,1129 23.544,1131 37.248,1132 17.701,1133 9354,1134 14478,1135 22.364,1136 33.358,1137 48.528,1138 48.231,1139 48.982,1140 48.341,1141 48.289,1142 68.552,1144 139.58,1145 47.095,1146 5.58,1147 5.344,1148 6.804,1149 5.356,1150 5.316,1151 7.729,1153 19.334,1154 5.208,1155 6.594,1156 1.517,1157 1.507,1158 1.531,1159 1.511,1160 1.509,1161 2.142,1163 4.362,1164 1.472,1165 4.163,1166 4.202,1167 4.138,1168 4.082,1169 5.257,1170 4.086,1171 4.003,1172 4.037,1173 3.963,1174 3.897,1175 4.924,1176 3.91,1177 3.898,1178 3.931,1179 3.825,1180 3.827,1181 4.824,1182 3.828,1183 3.47,1184 3.537,1185 3.395,1186 3.379,1187 4.745,1188 3.375,1189 3.442,1190 3.499,1191 3.33,1192 3.257,1193 4.508,1194 3.26,1195 3.137,1196 3.21,1197 3.028,1198 2.987,1199 4.257,1200 2.988,1201 3.036,1202 3.114,1203 2.92,1204 2.884,1205 3.881,1206 2.895,1207 2.975,1208 3.061,1209 2.858,1210 2.735,1211 3.819,1212 2.749,1213 0.148,1214 0.105,1215 0.219,1216 0.134,1217 0.104,1218 4.748,1219 0.148,1220 3.344,1222 7.002,1223 0.374,1224 4.283,1225 0.1,1226 3.316,1227 4.729,1229 11.958,1230 3.208,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.926,1238 1.894,1239 2.059,1240 2.041,1241 1.244,1242 2.041,1243 1.809,1244 1.772,1245 1.864,1246 1.962,1247 0.977,1248 1.945,1249 1.562,1250 1.509,1251 1.725,1252 1.758,1253 0.873,1254 1.745,1255 1.413,1256 1.355,1257 1.611,1258 1.567,1259 0.663,1260 1.587,1261 1.113,1262 1.06,1263 1.304,1264 1.326,1265 0.376,1266 1.322,1267 1.019,1268 0.957,1269 1.23,1270 1.222,1271 0.305,1272 1.24,1273 0.886,1274 0.821,1275 1.181,1276 1.15,1277 0.218,1278 1.151,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.844,1285 8.669,1286 7.066,1287 10.35,1293 6.223,1295 1.6,1305 31.795,1306 64.703,1307 153.186,1308 191.682,1309 228.701,1310 241.066,1311 245.066,1312 32.649,1313 8.044,1314 69.62,1315 69.62,1316 29,1317 12.749,1318 4.807,1319 3.858,1320 37.501,1321 102,1322 113,1323 0.177,1324 193.27,1325 313.48,1326 463.339,1327 35770,1329 18.924,1330 0.676,1331 0.546,1332 18.924,1333 15.286,1334 13.793,1335 0.431,1336 0.29,1337 9.215,1338 13.471,1339 9.024,1340 7.476,1341 13.793,1342 9.295,1343 12.268,1344 0.273,1345 0.152,1346 12.268,1347 6.827,1348 10.879,1349 0.173,1350 0.08,1351 10.879,1352 5.037,1353 9.516,1354 0.109,1355 0.041,1356 9.516,1357 3.605,1358 8.117,1359 0.071,1360 0.022,1361 8.117,1362 2.549,1363 0.273,1364 84.937,1365 0.211,1366 26.517,1367 0.502,1368 154,1369 377.893,1370 163.103,1371 383.33,1372 549.36,1373 362,1374 185,1375 429.941,1376 195.463,1377 440.651,1378 647.42,1379 417,1380 4.481}
{0 CHEMBL1242383,1 1.608,2 8.625,3 1.676,4 2.807,5 91.904,6 8.378,7 0.778,8 3.782,9 3.908,10 3.448,11 3.34,12 5.029,13 3.351,14 4.242,15 4.391,16 3.826,17 3.733,18 5.497,19 3.728,20 4.456,21 4.626,22 3.875,23 3.846,24 5.655,25 3.821,26 4.504,27 4.709,28 3.856,29 3.823,30 5.706,31 3.783,32 4.457,33 4.667,34 3.75,35 3.741,36 5.638,37 3.703,38 4.388,39 4.595,40 3.666,41 3.659,42 5.586,43 3.626,44 4.382,45 4.607,46 3.599,47 3.57,48 5.704,49 3.522,50 4.251,51 4.488,52 3.254,53 3.37,54 5.457,55 3.301,56 0.095,57 0.64,58 6.157,59 2.786,60 12.521,61 3.295,62 0.214,63 0.983,64 10.803,65 4.757,66 27.63,67 5.918,68 0.317,69 1.153,70 14.86,71 5.899,72 39.121,73 7.254,74 0.359,75 1.205,76 16.681,77 6.326,78 36.063,79 8.388,80 0.299,81 1.112,82 16.384,83 5.806,84 33.9,85 7.657,86 0.24,87 1.041,88 15.001,89 5.158,90 32.044,91 6.65,92 0.351,93 0.975,94 16.475,95 5.673,96 54.063,97 7.651,98 0.32,99 0.822,100 15.069,101 4.625,102 49.054,103 5.868,104 12,105 39,106 0.281,107 0.631,108 0.742,109 0.841,110 0.863,111 0.882,112 3.23,113 0.82,114 -4.02,115 -3.97,116 -3.76,119 44.7,125 1,142 7,143 4,146 1,147 1,148 1,158 1,161 1,163 2,164 2,165 2,166 1,172 11,174 2,175 5,177 2,178 2,180 1,183 15,185 1,186 2,187 3,189 1,190 1,195 14,198 3,199 6,201 4,202 4,204 1,207 8,209 1,211 1,212 9,214 1,215 1,217 3,220 4,222 3,224 9,229 3,232 2,234 3,236 1,237 9,239 2,240 2,241 1,242 4,244 2,245 1,247 4,248 1,250 7,255 4,260 4,263 4,268 3,273 3,275 790,276 16.292,277 16.292,278 16.292,279 16.292,280 16.292,281 13.687,282 9.628,283 9.554,284 16.506,285 13.364,286 13.364,287 13.364,288 13.364,289 13.364,290 9.438,291 10.917,292 4.548,293 13.723,294 3.639,295 1.642,296 1.011,297 0.441,298 0.316,299 0.211,300 3.929,303 1,304 1,305 1,306 453,307 2.828,310 43.664,311 160.079,314 83.899,315 88.501,318 1.24,319 23.005,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52,331 207,332 4.75,333 3.566,334 7.003,335 4.285,336 3.318,337 4.729,338 1.934,339 11.965,340 3.21,341 4.394,342 3.303,343 6.218,344 3.901,345 2.907,346 4.324,347 0.148,348 9.318,349 2.887,350 3.821,351 2.907,352 5.922,353 3.444,354 2.47,355 3.286,357 8.198,358 2.405,359 3.735,360 2.427,361 5.606,362 3.327,363 2.359,364 3.154,366 7.219,367 2.285,368 3.417,369 2.386,370 4.738,371 2.986,372 1.997,373 2.62,375 5.099,376 1.952,377 3.118,378 1.618,379 4.532,380 2.618,381 1.618,382 2.427,384 4.49,385 1.618,386 3.079,387 1.581,388 4.367,389 2.54,390 1.579,391 2.368,393 4.1,394 1.518,395 2.864,396 1.517,397 4.241,398 2.35,399 1.375,400 2.042,402 3.613,403 1.336,404 2.707,405 1.363,406 3.668,407 2.23,408 1.274,409 1.78,411 2.993,412 1.212,413 2.464,414 1.039,415 3.587,416 1.954,417 1.01,418 1.445,420 2.488,421 0.95,422 2.138,423 0.658,424 3.163,425 1.637,426 0.643,427 0.959,428 1.521,429 0.639,430 1.171,431 0.578,432 2.682,433 0.795,434 -0.153,435 -0.187,436 -0.393,437 -0.143,438 1.063,439 -0.06,440 2.625,441 0.636,442 -0.344,443 -0.444,445 -0.861,446 -0.333,447 0.955,448 -0.242,449 2.387,450 0.488,451 -0.457,452 -0.631,454 -1.129,455 -0.432,456 0.882,457 -0.419,458 2.252,459 0.382,460 -0.618,461 -0.927,463 -1.598,464 -0.618,465 11.233,466 0.468,467 0.627,468 0.026,469 36,470 1.5,471 20,472 0.833,473 16,474 0.667,475 15.063,476 0.628,477 24.167,478 0.636,479 26.193,480 1.091,481 7.271,482 0.303,483 4.36,484 0.182,485 0.101,487 0.392,493 0.839,494 1.07,495 0.709,496 0.834,497 0.834,498 0.752,499 0.626,500 0.984,501 0.719,502 0.899,503 0.495,504 0.836,505 1.035,506 1.068,507 0.982,508 0.98,509 1.143,510 0.984,511 0.619,512 0.93,513 0.911,514 1.009,515 0.526,516 1.01,517 0.934,518 1.074,519 0.996,520 1.026,521 0.722,522 1.012,523 1.16,524 1.18,525 1.095,526 1.087,527 1.008,528 1.065,529 0.897,530 1.031,531 0.951,532 1.052,533 0.904,534 1.023,535 1.626,536 0.981,537 1.343,538 1.01,539 1.752,540 1.107,541 4.5,542 0.037,543 2.667,544 1.917,545 1.744,546 0.82,547 0.61,548 0.42,549 0.159,550 0.135,551 5934,552 17480,553 2.135,554 36.8,556 9,558 1,559 4,564 1.675,565 2,566 3.104,567 1.819,568 1,569 1,571 1,573 61.122,574 1.608,575 3.606,576 4.237,577 4.807,578 4.932,579 5.037,580 2.507,581 4.502,582 4.555,583 3.22,584 888.742,585 7.895,586 10034.5,587 1,588 1,590 1,591 199.421,592 1.406,593 4.518,594 0.167,595 0.006,596 0.068,597 0.048,598 0.046,599 0.024,600 0.02,601 0.015,602 0.008,603 0.011,604 0.413,605 0.33,606 1,607 0.948,608 111.41,609 -0.089,610 0.07,611 0.016,612 0.099,613 -0.177,614 0.084,615 0.156,616 0.104,617 0.073,618 0.055,619 0.129,620 0.047,621 -0.063,622 -0.037,623 -0.114,624 -0.02,625 -0.181,626 -0.075,627 0.213,628 0.095,629 0.01,630 -0.057,631 0.121,632 -0.065,633 -0.028,634 -0.072,635 -0.049,636 -0.071,637 0.051,638 -0.06,639 -0.213,640 -0.163,641 -0.156,642 -0.15,643 -0.12,644 -0.135,645 0.17,646 -0.089,647 0.074,648 -0.077,649 0.246,650 -0.031,651 -0.373,652 -0.046,653 -0.283,654 -0.053,655 -0.317,656 -0.131,657 2.165,658 4.305,659 0.792,660 18.41,661 1.012,662 1.128,663 2.791,664 7.79,665 0.698,666 3.332,667 3.689,668 4.007,669 4.357,670 4.635,671 4.754,672 4.934,673 5.075,674 5.159,675 5.147,676 5.219,677 0.683,678 318.37,679 3.332,680 4.89,681 5.765,682 6.673,683 7.573,684 8.489,685 9.4,686 10.32,687 11.236,688 12.158,689 15.8,693 1,696 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 38,733 22,734 2,735 27,737 41,738 17,739 15,740 3,741 7,746 4,747 6,761 16,762 1,766 1,771 1,775 1,777 1,778 1,781 14,782 6,783 4,784 7,790 6,794 0.5,795 1,803 1,806 1,811 1,812 3,815 1,816 1,825 1,840 2,848 24,849 2,854 1,870 2.6,873 1,877 12,878 6.8,879 5.167,880 2.064,881 4.363,882 1.578,883 1.06,884 3.4,885 11.914,886 3.676,887 4.379,888 5.068,889 5.779,890 6.404,891 6.828,892 7.355,893 7.871,894 8.297,895 8.622,896 0.833,897 40,898 8.801,900 3.833,901 7.868,902 16.487,904 13.678,905 2.368,906 56.833,910 117.711,911 99.467,912 117.805,914 25.145,917 99.467,918 142.856,919 117.805,921 35.003,922 99.231,923 93.57,924 24.056,925 2.328,926 105.94,928 117.711,929 217.272,930 25.145,933 117.711,934 25.145,937 49.87,938 117.168,939 50.234,941 117.711,942 142.95,943 99.467,946 117.711,947 24.515,948 76.729,950 141.173,951 117.711,952 142.95,953 99.467,955 0.586,956 0.34,957 0.201,958 0.118,959 21,960 9,961 0.073,962 3,963 2,964 1.211,965 3.543,966 209.391,967 0.211,968 19,969 110.039,974 14.608,975 5.585,976 2.506,977 3.327,978 141.173,979 15.397,980 12.751,984 1.831,985 1.459,986 65.794,987 360.128,988 38.5,993 11.305,997 -0.498,999 38.473,1000 42.86,1001 0.306,1002 0.687,1003 0.807,1004 0.916,1005 0.94,1006 0.96,1007 4.907,1008 1.375,1009 5.765,1010 4.1,1011 4.369,1012 5.066,1013 1.984,1014 6.627,1015 4.319,1016 6.157,1017 1.274,1018 7.349,1019 3.613,1020 4.007,1021 4.997,1022 1.593,1023 7.621,1024 3.941,1025 7.493,1026 1.01,1027 9.036,1028 2.993,1029 5.999,1030 7.419,1031 2.977,1032 10.778,1033 5.9,1034 8.87,1035 0.643,1036 10.786,1037 2.488,1038 6.463,1039 8.206,1040 3.067,1041 12.642,1042 6.342,1043 10.28,1044 -0.153,1045 12.576,1046 1.521,1047 7.945,1048 10.099,1049 4.141,1050 15.325,1051 7.795,1052 11.716,1053 -0.344,1054 14.395,1055 -0.393,1056 8.798,1057 11.294,1058 4.483,1059 17.549,1060 8.619,1061 13.173,1062 -0.457,1063 16.236,1064 -0.861,1065 10.081,1066 12.97,1067 5.38,1068 20.081,1069 9.874,1070 3.318,1071 -0.618,1072 18.094,1073 -1.129,1074 11.115,1075 14.355,1076 5.86,1077 22.453,1078 10.876,1079 2.907,1080 11.965,1081 19.965,1082 -1.598,1083 12.324,1084 15.943,1085 6.654,1086 24.94,1087 12.056,1088 2.47,1089 9.318,1090 21.847,1091 4.729,1092 13.44,1093 17.413,1094 7.213,1095 27.374,1096 13.137,1097 2.359,1098 8.198,1099 23.738,1100 4.324,1101 14.627,1102 18.967,1103 7.949,1104 29.85,1105 14.292,1106 1.997,1107 7.219,1108 25.636,1109 3.286,1110 15.78,1111 20.474,1112 8.552,1113 32.309,1114 15.41,1115 1.618,1116 5.099,1117 27.54,1118 3.154,1119 16.962,1120 22.016,1121 9.254,1122 34.785,1123 16.559,1124 1.579,1125 4.49,1126 29.45,1127 2.62,1128 18.133,1129 23.541,1130 9.882,1131 37.256,1132 17.694,1133 5664,1134 9840,1135 18.205,1136 26.534,1137 41.602,1138 42.082,1139 42.534,1140 41.115,1141 41.1,1142 58.265,1143 4.164,1144 122.009,1145 40.026,1146 5.492,1147 5.566,1148 6.69,1149 5.358,1150 5.318,1151 7.729,1152 3.388,1153 19.352,1154 5.21,1155 10.591,1156 1.541,1157 1.559,1158 1.575,1159 1.523,1160 1.522,1161 2.158,1162 0.154,1163 4.519,1164 1.482,1165 4.159,1166 4.197,1167 4.136,1168 4.079,1169 7.437,1170 4.083,1171 4,1172 4.034,1173 3.962,1174 3.874,1175 5.256,1176 3.898,1177 3.563,1178 3.619,1179 3.489,1180 3.384,1181 4.928,1182 3.381,1183 3.467,1184 3.512,1185 3.389,1186 3.302,1187 4.879,1188 3.337,1189 3.2,1190 3.286,1191 3.132,1192 2.987,1193 4.813,1194 2.993,1195 3.048,1196 3.119,1197 2.94,1198 2.874,1199 4.504,1200 2.898,1201 2.975,1202 3.064,1203 2.86,1204 2.698,1205 4.25,1206 2.739,1207 2.721,1208 2.834,1209 2.565,1210 2.533,1211 3.855,1212 2.53,1213 0.176,1214 0.132,1215 0.259,1216 0.159,1217 0.123,1218 4.75,1219 0.175,1220 3.566,1221 0.072,1222 7.003,1223 0.443,1224 4.285,1225 0.119,1226 3.318,1227 4.729,1228 1.934,1229 11.965,1230 3.21,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.818,1238 1.78,1239 1.871,1240 2.01,1241 0.999,1242 1.971,1243 1.585,1244 1.535,1245 1.721,1246 1.821,1247 0.835,1248 1.79,1249 1.43,1250 1.383,1251 1.602,1252 1.602,1253 0.633,1254 1.605,1255 1.113,1256 1.062,1257 1.302,1258 1.418,1259 0.364,1260 1.378,1261 1.016,1262 0.952,1263 1.231,1264 1.223,1265 0.148,1266 1.241,1267 0.854,1268 0.781,1269 1.13,1270 1.188,1271 0.01,1272 1.187,1273 0.783,1274 0.666,1275 1.063,1276 1.062,1278 1.071,1279 4.007,1281 5.352,1282 2.398,1283 6.899,1284 4.844,1285 8.543,1286 7.066,1287 10.24,1293 11.332,1295 -0.069,1305 25.95,1306 61.122,1307 137.015,1308 161.015,1309 182.666,1310 187.421,1311 191.421,1312 33.766,1313 7.551,1314 112.71,1315 112.71,1316 23,1317 12.666,1318 4.524,1319 3.644,1320 33.622,1321 73,1322 74,1323 0.227,1324 159.755,1325 258.01,1326 381.561,1327 18252,1329 16.681,1330 0.695,1331 0.528,1332 16.681,1333 12.678,1334 11.631,1335 0.431,1336 0.273,1337 7.273,1338 11.198,1339 7.139,1340 5.904,1341 11.631,1342 7.377,1343 10.816,1344 0.277,1345 0.141,1346 10.816,1347 5.492,1348 8.983,1349 0.166,1350 0.072,1351 8.983,1352 3.887,1353 8.135,1354 0.106,1355 0.037,1356 8.135,1357 2.827,1358 6.917,1359 0.068,1360 0.019,1361 6.917,1362 1.976,1363 0.342,1364 72.832,1365 0.234,1366 22.849,1367 0.668,1368 132,1369 386.94,1370 144.344,1371 383.986,1372 532.95,1373 358,1374 159,1375 406.422,1376 171.708,1377 413.412,1378 605.83,1379 389,1380 5.032}
{0 CHEMBL1242384,1 1.454,2 8.043,3 2.926,4 8.559,5 92.546,6 7.473,7 0.769,8 3.836,9 3.976,10 3.425,11 3.362,12 4.95,13 3.351,14 4.353,15 4.549,16 3.824,17 3.767,18 5.391,19 3.748,20 4.528,21 4.729,22 3.873,23 3.896,24 5.568,25 3.853,26 4.652,27 4.885,28 3.835,29 3.928,30 5.689,31 3.851,32 4.575,33 4.813,34 3.638,35 3.832,36 5.523,37 3.735,38 4.469,39 4.694,40 3.609,41 3.745,42 5.496,43 3.659,44 4.508,45 4.772,46 3.398,47 3.658,48 5.466,49 3.534,50 4.388,51 4.698,52 3.146,53 3.441,54 5.2,55 3.279,56 0.05,57 0.687,58 8.393,59 3.228,60 9.759,61 4.534,62 0.181,63 1.085,64 15.715,65 5.347,66 17.584,67 7.772,68 0.161,69 1.255,70 18.834,71 6.331,72 19.09,73 9.301,74 0.302,75 1.342,76 22.529,77 7.537,78 33.964,79 11.091,80 0.192,81 1.203,82 20.985,83 6.905,84 26.333,85 10.303,86 0.155,87 1.109,88 18.432,89 6.262,90 25.42,91 9.28,92 0.233,93 1.071,94 20.477,95 6.309,96 34.098,97 9.613,98 0.239,99 0.866,100 19.545,101 6.399,102 25.471,103 9.788,104 18,105 39,106 0.253,107 0.657,108 0.786,109 0.82,110 0.828,111 0.828,112 3.19,113 0.877,114 -4.52,115 -4.45,116 -4.19,119 41.5,120 2,124 1,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 10,177 1,178 1,180 1,183 7,185 1,186 1,187 7,195 6,198 2,199 9,201 3,202 3,204 1,207 5,209 1,212 7,217 2,220 3,222 2,223 1,224 8,229 4,232 4,234 4,236 1,237 2,242 1,245 4,247 1,249 2,252 1,253 1,258 2,263 2,275 671,276 15.43,277 15.43,278 15.43,279 15.43,280 15.43,281 13.141,282 12.649,283 8.731,284 15.798,285 12.805,286 12.805,287 12.805,288 12.805,289 12.805,290 9.279,291 10,292 4.091,293 13.389,294 3.904,295 1.579,296 0.836,297 0.641,298 0.592,299 0.592,300 3.883,303 1,304 1,305 1,306 406,307 2.739,310 86.762,311 100.078,314 156.288,318 1.18,319 14.298,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49,331 185,332 4.765,333 3.377,334 7.04,335 4.305,336 3.341,337 4.741,339 12.089,340 3.225,341 4.521,342 3.082,343 6.496,344 4.018,345 3.052,346 4.477,348 10.114,349 2.95,350 3.889,351 2.688,352 6.132,353 3.541,354 2.584,355 3.361,357 8.742,358 2.471,359 3.766,360 2.469,361 5.747,362 3.368,363 2.412,364 3.188,366 7.555,367 2.304,368 3.241,369 1.893,370 4.958,371 2.765,372 1.816,373 2.559,375 5.389,376 1.719,377 3.05,378 1.808,379 4.817,380 2.68,381 1.739,382 2.32,384 4.817,385 1.634,386 3.014,387 1.546,388 4.424,389 2.516,390 1.546,391 2.138,393 4.069,394 1.495,395 2.803,396 1.357,397 4.113,398 2.292,399 1.338,400 1.94,402 3.505,403 1.272,404 2.495,405 1.036,406 3.859,407 1.986,408 1.033,409 1.492,411 2.738,412 0.982,413 2.146,414 0.838,415 3.489,416 1.769,417 0.806,418 1.042,420 2.035,421 0.775,422 2.06,423 0.65,424 3.207,425 1.596,426 0.614,427 0.879,428 1.459,429 0.602,430 1.064,431 -0.142,432 2.688,433 0.643,434 -0.279,435 -0.353,436 -0.655,437 -0.256,438 0.922,439 -0.348,440 2.425,441 0.507,442 -0.449,443 -0.583,445 -1.104,446 -0.429,447 0.757,448 -0.646,449 2.262,450 0.297,451 -0.678,452 -0.939,454 -1.961,455 -0.657,456 0.606,457 -0.797,458 2.229,459 0.094,460 -0.844,461 -1,463 -2,464 -0.791,465 10.9,466 0.474,467 0.699,468 0.03,469 32.25,470 1.402,471 16.5,472 0.717,473 15.75,474 0.685,475 17.314,476 0.753,477 23.9,478 0.583,479 22.342,480 0.971,481 6.175,482 0.268,483 4.884,484 0.212,485 0.174,487 0.44,493 0.914,494 1.349,495 0.776,496 1.053,497 1.115,498 0.922,499 0.94,500 0.994,501 0.695,502 0.766,503 0.583,504 0.708,505 1.129,506 1.185,507 0.93,508 0.994,509 0.818,510 0.944,511 0.935,512 0.953,513 0.995,514 0.996,515 0.964,516 1.002,517 1.189,518 1.078,519 1.128,520 1.073,521 1.071,522 1.089,523 1.045,524 1.222,525 1.086,526 1.183,527 1.205,528 1.148,529 1.234,530 1.033,531 1.209,532 1.096,533 1.652,534 1.14,535 0.637,536 0.763,537 0.846,538 0.886,539 0.772,540 0.894,541 4.5,542 0.012,543 3.333,544 2.458,545 1.722,546 0.834,547 0.54,548 0.345,549 0.285,550 0.119,551 5184,552 12270,553 2.115,554 43.9,556 8,557 1,558 1,559 2,561 6,564 1.663,565 1.944,566 3.006,567 0.321,568 1,569 1,571 1,573 59.604,574 1.454,575 3.779,576 4.522,577 4.717,578 4.766,579 4.766,580 2.442,581 4.35,582 4.497,583 3.131,584 792.072,585 7.772,586 8595.36,587 1,588 1,590 1,591 219.66,592 1.491,593 4.44,594 0.173,595 0.004,596 0.085,597 0.061,598 0.047,599 0.028,600 0.019,601 0.016,602 0.017,603 0.012,604 0.461,605 0.33,606 1,607 0.832,608 104.594,609 0.044,610 -0.154,611 0.071,612 -0.049,613 -0.18,614 0.004,615 0.126,616 0.121,617 0.226,618 0.207,619 0.21,620 0.226,621 -0.098,622 -0.093,623 -0.01,624 -0.022,625 0.035,626 -0.007,627 0.105,628 0.079,629 -0.04,630 -0.031,631 0.081,632 -0.052,633 -0.215,634 -0.072,635 -0.174,636 -0.098,637 -0.134,638 -0.125,639 -0.08,640 -0.199,641 -0.146,642 -0.204,643 -0.054,644 -0.188,645 -0.181,646 -0.067,647 -0.219,648 -0.146,649 -0.359,650 -0.181,651 0.244,652 0.075,653 0.194,654 0.104,655 0.149,656 0.135,657 1.204,658 2.116,659 0.783,660 15.905,661 0.998,662 1.134,663 3.294,664 10.849,665 0.673,666 3.296,667 3.689,668 4.043,669 4.382,670 4.615,671 4.771,672 4.913,673 5.069,674 5.13,675 5.204,676 4.952,677 0.641,678 306.41,679 3.296,680 4.875,681 5.771,682 6.693,683 7.609,684 8.536,685 9.459,686 10.387,687 11.312,688 12.241,689 14.6,693 1,697 2,699 3,703 4,704 6,705 3,709 3,710 2,711 20,722 1,731 41,733 20,734 1,735 26,737 44,738 17,739 13,740 3,741 3,746 4,747 6,752 2,758 1,761 13,762 4,777 1,778 1,781 18,782 4,783 2,784 6,790 6,794 0.5,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 3,848 23,849 1,858 1,877 11.833,878 8.417,879 4.889,880 2.458,881 4.051,882 1.542,883 1.032,884 3.133,885 11.528,886 3.611,887 4.35,888 5.089,889 5.798,890 6.362,891 6.826,892 7.337,893 7.86,894 8.208,895 8.642,896 1,897 40,898 8.448,900 3.624,901 7.587,902 16.298,904 13.625,905 2.087,906 48,909 1,910 188.338,911 98.893,912 86.807,917 98.893,918 188.338,919 86.807,920 26.047,922 79.85,923 63.72,924 23.383,925 16.243,926 164.795,928 188.338,929 185.7,933 117.711,934 70.627,937 34.417,938 101.05,939 50.234,941 188.338,942 86.807,943 98.893,946 188.338,947 17.276,948 85.293,950 83.131,951 188.338,952 86.807,953 98.893,955 0.6,956 0.366,957 0.207,958 0.113,959 22,960 10,961 0.045,962 2,963 2,964 1.222,965 3.401,966 201.468,967 0.222,968 18,969 102.042,974 14.218,975 5.067,976 2.116,977 3.949,978 83.131,979 11.944,980 13.284,984 2.317,985 3.999,986 32.897,987 374.038,988 36,999 40.912,1000 46.481,1001 0.271,1002 0.705,1003 0.844,1004 0.88,1005 0.89,1006 0.89,1007 4.868,1008 1.338,1009 5.796,1010 4.069,1011 4.369,1012 5.037,1014 6.696,1015 4.287,1016 6.134,1017 1.033,1018 7.413,1019 3.505,1020 4.111,1021 5.047,1023 7.763,1024 3.992,1025 7.488,1026 0.806,1027 9.13,1028 2.738,1029 6.047,1030 7.431,1032 10.916,1033 5.892,1034 8.884,1035 0.614,1036 10.904,1037 2.035,1038 6.608,1039 8.299,1041 12.819,1042 6.418,1043 10.315,1044 -0.279,1045 12.716,1046 1.459,1047 8.05,1048 10.159,1050 15.501,1051 7.828,1052 11.77,1053 -0.449,1054 14.553,1055 -0.655,1056 8.965,1057 11.409,1059 17.738,1060 8.708,1061 13.246,1062 -0.678,1063 16.408,1064 -1.104,1065 10.23,1066 13.068,1068 20.27,1069 9.941,1070 3.341,1071 -0.844,1072 18.277,1073 -1.961,1074 11.298,1075 14.485,1077 22.646,1078 10.974,1079 3.052,1080 12.089,1081 20.158,1082 -2,1083 12.502,1084 16.067,1086 25.133,1087 12.145,1088 2.584,1089 10.114,1090 22.047,1091 4.741,1092 13.635,1093 17.554,1095 27.568,1096 13.243,1097 2.412,1098 8.742,1099 23.944,1100 4.477,1101 14.821,1102 19.108,1104 30.045,1105 14.397,1106 1.816,1107 7.555,1108 25.847,1109 3.361,1110 15.984,1111 20.625,1113 32.506,1114 15.524,1115 1.739,1116 5.389,1117 27.755,1118 3.188,1119 17.167,1120 22.17,1122 34.984,1123 16.673,1124 1.546,1125 4.817,1126 29.668,1127 2.559,1128 18.344,1129 23.7,1131 37.458,1132 17.815,1133 4960,1134 7764,1135 17.224,1136 27.603,1137 41.038,1138 40.471,1139 42.566,1140 40.604,1141 40.56,1142 56.276,1144 125.023,1145 38.856,1146 5.439,1147 5.377,1148 6.568,1149 5.378,1150 5.341,1151 7.741,1153 19.561,1154 5.225,1155 11.753,1156 1.578,1157 1.557,1158 1.637,1159 1.562,1160 1.56,1161 2.164,1163 4.809,1164 1.494,1165 4.182,1166 4.221,1167 4.155,1168 4.08,1169 5.257,1170 4.092,1171 4.034,1172 4.083,1173 4.004,1174 3.877,1175 4.947,1176 3.905,1177 3.579,1178 3.656,1179 3.445,1180 3.416,1181 4.836,1182 3.407,1183 3.464,1184 3.525,1185 3.383,1186 3.313,1187 4.515,1188 3.323,1189 3.142,1190 3.241,1191 3.02,1192 2.935,1193 4.243,1194 2.932,1195 3.077,1196 3.156,1197 2.909,1198 2.886,1199 4.029,1200 2.899,1201 2.987,1202 3.094,1203 2.864,1204 2.683,1205 3.839,1206 2.719,1207 2.874,1208 3.009,1209 2.548,1210 2.618,1211 3.683,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.128,1218 4.765,1219 0.182,1220 3.377,1222 7.04,1223 0.465,1224 4.305,1225 0.124,1226 3.341,1227 4.741,1229 12.089,1230 3.225,1231 1.97,1232 1.95,1233 2.039,1234 2.055,1235 1.204,1236 2.049,1237 1.81,1238 1.762,1239 1.947,1240 2.007,1241 1.143,1242 1.986,1243 1.627,1244 1.56,1245 1.796,1246 1.841,1247 0.888,1248 1.836,1249 1.563,1250 1.499,1251 1.755,1252 1.761,1253 0.817,1254 1.768,1255 1.215,1256 1.16,1257 1.425,1258 1.419,1259 0.484,1260 1.407,1261 1.028,1262 0.942,1263 1.417,1264 1.297,1265 0.469,1266 1.316,1267 0.934,1268 0.804,1269 1.25,1270 1.239,1271 0.283,1272 1.308,1273 0.86,1274 0.767,1275 1.141,1276 1.188,1277 0.092,1278 1.187,1279 3.97,1281 5.342,1282 3.045,1283 6.909,1284 5.476,1285 8.566,1286 7.644,1287 10.272,1289 6.195,1293 6.116,1299 0.195,1305 26.289,1306 59.604,1307 154.931,1308 185.395,1309 193.395,1310 195.395,1311 195.395,1312 27.178,1313 7.477,1314 74.55,1315 74.55,1316 22,1317 12.745,1318 4.392,1319 3.459,1320 31.661,1321 67,1322 70,1323 0.236,1324 161.613,1325 254.5,1326 386.096,1327 16190,1329 16.137,1330 0.702,1331 0.581,1332 16.137,1333 13.355,1334 11.059,1335 0.425,1336 0.292,1337 7.492,1338 10.627,1339 7.209,1340 6.043,1341 11.059,1342 7.601,1343 10.509,1344 0.269,1345 0.155,1346 10.509,1347 6.045,1348 9.204,1349 0.164,1350 0.074,1351 9.204,1352 4.166,1353 8.126,1354 0.103,1355 0.038,1356 8.126,1357 2.986,1358 6.539,1359 0.065,1360 0.02,1361 6.539,1362 1.992,1363 0.354,1364 69.153,1365 0.241,1366 21.864,1367 0.701,1368 130,1369 331.538,1370 141.518,1371 331.605,1372 477.07,1373 312,1374 160,1375 382.11,1376 173.294,1377 389.328,1378 575.66,1379 366,1380 6.192}
{0 CHEMBL1242385,1 1.433,2 8.68,3 3.601,4 12.969,5 99.792,6 7.388,7 0.69,8 3.937,9 4.073,10 3.523,11 3.484,12 4.988,13 3.467,14 4.492,15 4.679,16 3.924,17 3.928,18 5.466,19 3.89,20 4.726,21 4.954,22 3.938,23 4.026,24 5.647,25 3.953,26 4.751,27 4.996,28 3.926,29 4.003,30 5.733,31 3.93,32 4.659,33 4.889,34 3.796,35 3.949,36 5.598,37 3.867,38 4.601,39 4.82,40 3.773,41 3.912,42 5.57,43 3.832,44 4.632,45 4.869,46 3.664,47 3.868,48 5.569,49 3.761,50 4.615,51 4.904,52 3.368,53 3.716,54 5.448,55 3.557,56 0.058,57 0.753,58 9.421,59 3.73,60 9.318,61 5.207,62 0.184,63 1.239,64 17.966,65 6.552,66 17.208,67 9.376,68 0.184,69 1.451,70 24.158,71 8.348,72 22.063,73 12.363,74 0.347,75 1.472,76 25.561,77 8.23,78 35.877,79 12.259,80 0.214,81 1.346,82 22.714,83 7.4,84 28.235,85 11.006,86 0.197,87 1.287,88 21.049,89 7.153,90 25.519,91 10.516,92 0.199,93 1.277,94 22.293,95 7.539,96 27.741,97 11.2,98 0.3,99 1.146,100 23.72,101 7.766,102 33.013,103 11.711,104 5,105 43,106 0.244,107 0.629,108 0.765,109 0.825,110 0.832,111 0.832,112 3.269,113 0.907,114 -4.99,115 -4.9,116 -4.59,119 42.2,121 4,124 1,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 10,177 1,178 1,180 1,183 9,185 1,186 1,187 9,195 6,198 2,199 11,201 3,202 3,204 1,207 5,209 1,212 9,217 2,220 5,222 2,223 1,224 8,229 4,232 6,234 4,236 1,237 4,242 3,245 8,247 3,249 2,252 1,253 1,258 6,263 2,271 2,275 857,276 17.292,277 17.292,278 17.292,279 17.292,280 17.292,281 15.003,282 12.649,283 9.951,284 17.643,285 14.325,286 14.325,287 14.325,288 14.325,289 14.325,290 10.813,291 10,292 4.705,293 14.898,294 4.059,295 1.79,296 0.995,297 0.639,298 0.595,299 0.595,300 3.981,303 1,304 1,305 1,306 493,307 2.236,310 146.636,311 108.847,314 169.241,318 1.238,319 15.425,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 217,332 4.768,333 3.39,334 7.051,335 4.314,336 3.35,337 4.742,339 12.148,340 3.232,341 4.522,342 3.085,343 6.498,344 4.021,345 3.055,346 4.477,348 10.126,349 2.954,350 3.926,351 2.791,352 6.232,353 3.663,354 2.696,355 3.367,357 9.187,358 2.604,359 3.796,360 2.474,361 5.793,362 3.397,363 2.434,364 3.212,366 7.774,367 2.342,368 3.252,369 2.045,370 5.082,371 2.951,372 1.998,373 2.559,375 5.692,376 1.9,377 3.229,378 1.871,379 4.954,380 2.757,381 1.808,382 2.365,384 5.387,385 1.713,386 3.046,387 1.548,388 4.424,389 2.516,390 1.547,391 2.317,393 4.08,394 1.495,395 2.805,396 1.423,397 4.235,398 2.323,399 1.366,400 1.941,402 3.543,403 1.304,404 2.634,405 1.346,406 4.112,407 2.279,408 1.32,409 1.676,411 3.494,412 1.262,413 2.42,414 1.01,415 3.66,416 1.944,417 0.996,418 1.392,420 2.532,421 0.941,422 2.085,423 0.706,424 3.25,425 1.67,426 0.688,427 0.905,428 1.743,429 0.675,430 1.852,431 0.645,432 3.206,433 1.618,434 0.618,435 0.769,436 1.455,437 0.618,438 1.618,439 0.618,440 3,441 1.588,442 0.608,443 0.618,445 1.372,446 0.595,447 1.064,448 -0.141,449 2.688,450 0.645,451 -0.277,452 -0.35,454 -0.653,455 -0.254,456 0.922,457 -0.347,458 2.461,459 0.508,460 -0.449,461 -0.581,463 -1.103,464 -0.429,465 11.9,466 0.476,467 0.624,468 0.025,469 33.75,470 1.35,471 16.5,472 0.66,473 17.25,474 0.69,475 20.036,476 0.801,477 25.9,478 0.576,479 22.942,480 0.918,481 6.15,482 0.246,483 6.071,484 0.243,485 0.076,487 0.403,493 0.892,494 1.294,495 0.775,496 1.025,497 0.975,498 0.909,499 0.906,500 1.052,501 0.81,502 0.91,503 0.566,504 0.858,505 0.968,506 1.187,507 0.901,508 1.038,509 0.699,510 0.975,511 1.026,512 0.905,513 0.919,514 0.869,515 0.959,516 0.879,517 1.315,518 1.075,519 1.099,520 1.001,521 1.201,522 1.018,523 1.182,524 1.131,525 1.1,526 1.085,527 1.396,528 1.082,529 1.112,530 1.193,531 1.155,532 1.193,533 1.474,534 1.182,535 0.96,536 0.829,537 1.093,538 0.995,539 1.291,540 1.05,541 4,542 0.045,543 3.333,544 2.236,545 1.562,546 0.803,547 0.525,548 0.358,549 0.26,550 0.111,551 7026,552 15124,553 2.225,554 44.4,555 4,556 8,557 1,558 1,559 2,561 4,564 1.686,565 2.113,566 3.107,567 0.273,569 1,573 64.474,574 1.433,575 3.702,576 4.497,577 4.853,578 4.897,579 4.897,580 2.504,581 4.054,582 4.616,583 3.228,584 968.256,585 8.015,586 11148.6,588 1,590 1,591 247.133,592 1.311,593 4.59,594 0.138,595 0.006,596 0.078,597 0.053,598 0.038,599 0.022,600 0.015,601 0.012,602 0.012,603 0.008,604 0.383,605 0.33,606 0.88,607 0.477,608 117.315,609 0.057,610 -0.106,611 0.08,612 -0.017,613 -0.034,614 0.025,615 0.109,616 0.062,617 0.101,618 0.076,619 0.201,620 0.086,621 0.008,622 -0.167,623 0.051,624 -0.056,625 0.139,626 -0.007,627 0.116,628 0.123,629 0.064,630 0.077,631 0.121,632 0.066,633 -0.239,634 -0.032,635 -0.141,636 -0.041,637 -0.175,638 -0.072,639 -0.145,640 -0.078,641 -0.156,642 -0.116,643 -0.193,644 -0.134,645 -0.108,646 -0.187,647 -0.195,648 -0.224,649 -0.227,650 -0.221,651 0.03,652 0.084,653 -0.078,654 -0.028,655 -0.133,656 -0.06,657 1.169,658 2.215,659 0.92,660 18.851,661 0.995,662 1.131,663 3.764,664 14.165,665 0.675,666 3.401,667 3.784,668 4.159,669 4.511,670 4.727,671 4.927,672 5.136,673 5.323,674 5.416,675 5.489,676 5.255,677 0.64,678 332.45,679 3.401,680 4.977,681 5.878,682 6.797,683 7.715,684 8.641,685 9.565,686 10.495,687 11.423,688 12.354,689 13.3,693 1,697 2,699 3,703 4,704 6,705 3,709 3,710 2,711 20,722 1,731 45,733 20,734 1,735 29,737 49,738 19,739 13,740 3,741 3,746 5,747 7,755 5,758 5,761 13,762 6,777 1,778 1,781 20,782 4,783 2,784 6,790 6,794 0.6,803 1,806 1,807 1,811 3,812 2,815 2,840 3,844 1,848 25,849 1,854 4,858 1,877 11.833,878 8.417,879 5.306,880 2.875,881 4.005,882 1.51,883 1.064,884 3.32,885 11.853,886 3.689,887 4.401,888 5.131,889 5.836,890 6.398,891 6.88,892 7.414,893 7.942,894 8.305,895 8.739,896 0.833,897 42,898 9.234,900 4.059,901 7.5,902 18.15,904 15.814,905 2,906 50,909 1,910 211.88,911 91.381,912 86.807,917 91.381,918 211.88,919 86.807,920 8.396,921 10.138,922 79.85,923 63.72,924 23.383,925 16.243,926 188.338,928 211.88,929 178.188,933 164.795,934 47.084,937 26.904,938 101.05,939 50.234,941 211.88,942 86.807,943 91.381,946 211.88,947 27.414,948 67.643,950 83.131,951 211.88,952 86.807,953 91.381,955 0.594,956 0.366,957 0.212,958 0.108,959 25,960 10,961 0.041,962 2,963 2,964 1.174,965 3.681,966 232.065,967 0.174,968 23,969 112.096,974 14.912,975 5.566,976 2.262,977 4.11,978 83.131,979 12.133,980 13.657,984 2.435,985 4.191,986 32.897,987 390.068,988 39,999 44.796,1000 50.896,1001 0.261,1002 0.674,1003 0.819,1004 0.884,1005 0.892,1006 0.892,1007 4.949,1008 1.366,1009 5.883,1010 4.08,1011 4.466,1012 5.088,1014 6.774,1015 4.392,1016 6.191,1017 1.32,1018 7.487,1019 3.543,1020 4.111,1021 5.047,1023 7.813,1024 3.992,1025 7.535,1026 0.996,1027 9.194,1028 3.494,1029 6.129,1030 7.452,1032 10.982,1033 5.985,1034 8.924,1035 0.688,1036 10.962,1037 2.532,1038 6.648,1039 8.307,1041 12.88,1042 6.463,1043 10.349,1044 0.618,1045 12.769,1046 1.743,1047 8.117,1048 10.168,1050 15.564,1051 7.905,1052 11.801,1053 0.608,1054 14.603,1055 1.455,1056 9.014,1057 11.414,1059 17.8,1060 8.763,1061 13.273,1062 -0.277,1063 16.457,1064 1.372,1065 10.288,1066 13.072,1068 20.333,1069 10.006,1070 3.35,1071 -0.449,1072 18.326,1073 -0.653,1074 11.348,1075 14.488,1077 22.709,1078 11.028,1079 3.055,1080 12.148,1081 20.206,1082 -1.103,1083 12.555,1084 16.07,1086 25.198,1087 12.202,1088 2.696,1089 10.126,1090 22.095,1091 4.742,1092 13.685,1093 17.557,1095 27.633,1096 13.295,1097 2.434,1098 9.187,1099 23.991,1100 4.477,1101 14.872,1102 19.111,1104 30.113,1105 14.448,1106 1.998,1107 7.774,1108 25.894,1109 3.367,1110 16.033,1111 20.628,1113 32.576,1114 15.573,1115 1.808,1116 5.692,1117 27.802,1118 3.212,1119 17.218,1120 22.172,1122 35.058,1123 16.722,1124 1.547,1125 5.387,1126 29.714,1127 2.559,1128 18.394,1129 23.703,1131 37.535,1132 17.862,1133 6438,1134 9598,1135 19.997,1136 30.364,1137 44.939,1138 44.827,1139 45.89,1140 45.067,1141 44.969,1142 60.683,1144 137.067,1145 43.269,1146 5.67,1147 5.39,1148 6.646,1149 5.389,1150 5.35,1151 7.742,1153 19.691,1154 5.232,1155 8.823,1156 1.55,1157 1.546,1158 1.582,1159 1.554,1160 1.551,1161 2.093,1163 4.726,1164 1.492,1165 4.188,1166 4.229,1167 4.16,1168 4.084,1169 5.257,1170 4.095,1171 4.045,1172 4.093,1173 4.01,1174 3.897,1175 4.946,1176 3.92,1177 3.795,1178 3.853,1179 3.668,1180 3.679,1181 4.834,1182 3.67,1183 3.465,1184 3.527,1185 3.389,1186 3.316,1187 4.513,1188 3.325,1189 3.243,1190 3.338,1191 3.157,1192 2.966,1193 4.259,1194 3.002,1195 3.079,1196 3.159,1197 2.91,1198 2.925,1199 4.12,1200 2.913,1201 2.994,1202 3.094,1203 2.88,1204 2.766,1205 3.839,1206 2.777,1207 2.869,1208 2.979,1209 2.611,1210 2.671,1211 3.69,1212 2.635,1213 0.164,1214 0.117,1215 0.243,1216 0.149,1217 0.116,1218 4.768,1219 0.164,1220 3.39,1222 7.051,1223 0.419,1224 4.314,1225 0.111,1226 3.35,1227 4.742,1229 12.148,1230 3.232,1231 1.97,1232 1.95,1233 2.039,1234 2.054,1235 1.244,1236 2.048,1237 1.804,1238 1.759,1239 1.894,1240 1.996,1241 1.211,1242 1.967,1243 1.606,1244 1.544,1245 1.86,1246 1.82,1247 1.201,1248 1.811,1249 1.577,1250 1.507,1251 1.782,1252 1.751,1253 0.896,1254 1.793,1255 1.56,1256 1.498,1257 1.743,1258 1.749,1259 0.82,1260 1.755,1261 1.211,1262 1.158,1263 1.424,1264 1.4,1265 0.486,1266 1.396,1267 1.026,1268 0.941,1269 1.245,1270 1.295,1271 0.297,1272 1.31,1273 0.86,1274 0.768,1275 1.141,1276 1.186,1277 0.104,1278 1.186,1279 4.078,1281 5.442,1282 3.434,1283 7,1284 5.778,1285 8.65,1286 7.874,1287 10.351,1289 2.054,1293 6.215,1295 4.797,1299 0.408,1305 28.816,1306 64.474,1307 166.604,1308 202.379,1309 218.379,1310 220.379,1311 220.379,1312 29.368,1313 7.848,1314 74.55,1315 74.55,1316 27,1317 12.856,1318 4.392,1319 3.459,1320 31.878,1321 77,1322 82,1323 0.203,1324 173.405,1325 276.74,1326 414.867,1327 25830,1329 16.966,1330 0.679,1331 0.567,1332 16.966,1333 14.183,1334 12.22,1335 0.421,1336 0.302,1337 8.654,1338 11.798,1339 8.464,1340 6.999,1341 12.22,1342 8.763,1343 11.309,1344 0.263,1345 0.16,1346 11.309,1347 6.889,1348 10.353,1349 0.164,1350 0.085,1351 10.353,1352 5.347,1353 9.287,1354 0.103,1355 0.045,1356 9.287,1357 4.03,1358 7.168,1359 0.064,1360 0.021,1361 7.168,1362 2.383,1363 0.306,1364 76.124,1365 0.224,1366 23.595,1367 0.6,1368 144,1369 345.538,1370 155.518,1371 345.125,1372 499.23,1373 326,1374 178,1375 400.11,1376 191.627,1377 406.6,1378 604.54,1379 384,1380 6.08}
{0 CHEMBL1242386,1 1.511,2 7.364,3 2.07,4 4.284,5 86.578,6 7.929,7 0.8,8 3.758,9 3.9,10 3.391,11 3.27,12 4.928,13 3.277,14 4.252,15 4.435,16 3.78,17 3.669,18 5.352,19 3.666,20 4.423,21 4.625,22 3.805,23 3.762,24 5.505,25 3.738,26 4.524,27 4.761,28 3.778,29 3.771,30 5.61,31 3.725,32 4.413,33 4.636,34 3.594,35 3.697,36 5.423,37 3.632,38 4.351,39 4.556,40 3.583,41 3.651,42 5.461,43 3.587,44 4.458,45 4.729,46 3.333,47 3.557,48 5.439,49 3.436,50 4.276,51 4.6,52 3.01,53 3.244,54 5.157,55 3.074,56 0.093,57 0.654,58 6.959,59 2.72,60 9.67,61 3.657,62 0.175,63 1.011,64 12.906,65 4.568,66 16.577,67 6.44,68 0.194,69 1.14,70 15.971,71 5.188,72 17.69,73 7.509,74 0.347,75 1.182,76 19.261,77 5.873,78 32.651,79 8.641,80 0.221,81 1.057,82 16.572,83 5.273,84 22.126,85 7.661,86 0.185,87 1.02,88 14.739,89 5.174,90 23.147,91 7.375,92 0.3,93 0.977,94 19.418,95 5.766,96 35.093,97 8.751,98 0.316,99 0.721,100 18.456,101 5.788,102 32.135,103 8.978,104 11,105 37,106 0.268,107 0.689,108 0.807,109 0.83,110 0.83,111 0.83,112 3.149,113 0.849,114 -4.08,115 -4.03,116 -3.82,119 40.5,120 2,127 1,142 3,143 3,145 1,146 1,147 1,148 1,152 1,161 1,163 1,164 1,165 1,166 1,168 1,172 4,174 2,175 8,177 1,178 1,180 3,183 6,185 1,186 1,187 7,192 2,195 4,198 2,199 10,201 3,202 3,204 2,207 4,209 1,212 6,217 2,220 2,222 2,223 1,224 7,227 1,229 5,232 4,234 4,236 1,240 1,245 4,249 2,252 1,253 3,254 1,257 1,263 2,268 2,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.256,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 12.856,294 3.699,295 1.318,296 0.656,297 0.527,298 0.527,299 0.527,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 15.837,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 162,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.414,342 2.939,343 6.253,344 3.91,345 2.93,346 4.353,348 9.393,349 2.868,350 3.852,351 2.666,352 6.073,353 3.514,354 2.557,355 3.301,357 8.572,358 2.445,359 3.746,360 2.404,361 5.713,362 3.331,363 2.37,364 3.179,366 7.457,367 2.275,368 3.056,369 1.822,370 4.82,371 2.685,372 1.743,373 2.328,375 4.819,376 1.638,377 3.034,378 1.55,379 4.518,380 2.519,381 1.55,382 2.3,384 4.378,385 1.508,386 3.009,387 1.533,388 4.333,389 2.49,390 1.533,391 2.133,393 4.044,394 1.455,395 2.636,396 1.155,397 3.864,398 2.102,399 1.153,400 1.7,402 2.795,403 1.091,404 2.47,405 1,406 3.509,407 1.962,408 1,409 1.457,411 2.398,412 0.959,413 2.133,414 0.837,415 3.419,416 1.767,417 0.806,418 1.036,420 2.014,421 0.773,422 1.885,423 0.401,424 3.036,425 1.364,426 0.396,427 0.588,428 0.984,429 0.383,430 1.061,431 -0.155,432 2.652,433 0.628,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.387,442 -0.59,443 -0.818,445 -1.644,446 -0.575,447 0.628,448 -0.797,449 2.259,450 0.113,451 -0.841,452 -1,454 -2,455 -0.792,456 0.545,457 -0.907,458 2.206,459 0.041,460 -0.922,461 -1.149,463 -2.365,464 -0.895,465 10.3,466 0.468,467 0.61,468 0.028,469 31.5,470 1.432,471 16.5,472 0.75,473 15,474 0.682,475 15.714,476 0.714,477 22.7,478 0.614,479 21.027,480 0.956,481 6.051,482 0.275,483 4.597,484 0.209,485 0.136,487 0.427,493 0.866,494 1.193,495 0.733,496 0.96,497 1.057,498 0.847,499 0.834,500 1.114,501 0.676,502 0.875,503 0.648,504 0.77,505 1.104,506 1.227,507 0.91,508 1.013,509 0.804,510 0.943,511 1.005,512 0.901,513 0.945,514 0.885,515 0.984,516 0.901,517 1.244,518 1.082,519 1.159,520 1.064,521 1.064,522 1.091,523 1.002,524 1.27,525 1.17,526 1.323,527 1.178,528 1.284,529 1.095,530 0.986,531 1.213,532 1.129,533 1.539,534 1.181,535 0.356,536 0.623,537 0.77,538 0.892,539 0.527,540 0.901,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 12207,553 2.148,554 40.5,556 4,558 2,559 3,561 6,564 1.652,565 2,566 2.918,567 1.114,568 1,569 1,571 1,573 55.892,574 1.511,575 3.891,576 4.554,577 4.682,578 4.682,579 4.682,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,590 1,591 192.75,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.67,606 1,607 0.797,608 98.122,609 0.052,610 0.006,611 0.055,612 0.026,613 -0.159,614 0.039,615 0.103,616 -0.007,617 0.191,618 0.11,619 0.147,620 0.156,621 -0.132,622 -0.16,623 -0.013,624 -0.045,625 0.017,626 -0.014,627 0.04,628 0.111,629 0.016,630 0.065,631 0.055,632 0.041,633 -0.294,634 -0.059,635 -0.234,636 -0.09,637 -0.17,638 -0.141,639 -0.092,640 -0.224,641 -0.278,642 -0.341,643 -0.1,644 -0.342,645 -0.111,646 -0.077,647 -0.195,648 -0.163,649 -0.336,650 -0.188,651 0.517,652 0.138,653 0.354,654 0.13,655 0.431,656 0.199,657 1.223,658 2.078,659 0.818,660 14.281,661 1.007,662 1.139,663 2.854,664 8.145,665 0.678,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.656,678 293.37,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 18.9,693 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,722 1,731 37,733 20,734 1,735 25,737 40,738 15,739 12,740 3,741 3,746 4,747 6,752 2,758 1,761 12,762 3,777 1,778 1,781 15,782 5,783 3,784 7,790 7,794 0.5,803 2,806 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,877 11,878 7.333,879 4.694,880 2.209,881 4.036,882 1.548,883 1.045,884 2.876,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.059,900 3.479,901 7.659,902 15.387,904 12.84,905 2.159,906 47.5,910 141.253,911 81.021,912 118.234,917 81.021,918 141.253,919 118.234,920 17.65,922 61.326,923 92.155,924 47.194,925 4.472,926 117.711,928 141.253,929 199.255,933 70.627,934 70.627,937 58.228,938 74.129,939 66.897,941 141.253,942 118.234,943 81.021,946 141.253,947 17.276,948 65.522,949 16.663,950 99.794,951 141.253,952 118.234,953 81.021,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.05,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.225,975 4.784,976 1.994,977 3.56,978 99.794,979 9.288,980 17.23,981 2.945,984 2.212,985 1.877,986 49.56,987 340.508,988 35,999 37.247,1000 42.149,1001 0.29,1002 0.747,1003 0.874,1004 0.899,1005 0.899,1006 0.899,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.242,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.908,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.837,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.342,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.762,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.63,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.865,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.891,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 12.063,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.157,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.31,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.437,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.587,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.728,1133 4398,1134 7270,1135 16.819,1136 25.086,1137 39.193,1138 38.662,1139 40.034,1140 38.772,1141 38.753,1142 54.225,1144 117.881,1145 37.231,1146 5.437,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.551,1160 1.55,1161 2.169,1163 4.715,1164 1.489,1165 4.167,1166 4.211,1167 4.145,1168 4.05,1169 5.26,1170 4.066,1171 4.01,1172 4.063,1173 3.98,1174 3.849,1175 5.087,1176 3.877,1177 3.578,1178 3.655,1179 3.445,1180 3.41,1181 4.859,1182 3.402,1183 3.384,1184 3.451,1185 3.321,1186 3.195,1187 4.532,1188 3.22,1189 3.115,1190 3.213,1191 3,1192 2.902,1193 4.311,1194 2.913,1195 2.99,1196 3.091,1197 2.869,1198 2.738,1199 4.042,1200 2.763,1201 2.903,1202 3.009,1203 2.781,1204 2.66,1205 3.763,1206 2.689,1207 2.874,1208 2.98,1209 2.499,1210 2.618,1211 3.664,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.303,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 1.966,1232 1.946,1233 2.035,1234 2.05,1235 1.191,1236 2.043,1237 1.808,1238 1.76,1239 1.947,1240 2.003,1241 1.142,1242 1.983,1243 1.62,1244 1.555,1245 1.78,1246 1.823,1247 0.863,1248 1.821,1249 1.311,1250 1.23,1251 1.465,1252 1.639,1253 0.469,1254 1.593,1255 1.186,1256 1.132,1257 1.417,1258 1.412,1259 0.408,1260 1.387,1261 0.934,1262 0.822,1263 1.293,1264 1.244,1265 0.352,1266 1.308,1267 0.917,1268 0.804,1269 1.179,1270 1.239,1271 0.064,1272 1.236,1273 0.784,1274 0.709,1275 1.049,1276 1.096,1277 0.024,1278 1.089,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.127,1293 6.078,1299 0.184,1305 24.257,1306 55.892,1307 143.979,1308 168.485,1309 173.24,1310 173.24,1311 173.24,1312 25.712,1313 7.358,1314 98.3,1315 98.3,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 149.223,1325 230.9,1326 355.864,1327 14040,1329 15.267,1330 0.694,1331 0.558,1332 15.267,1333 12.278,1334 10.648,1335 0.426,1336 0.283,1337 6.961,1338 10.184,1339 6.755,1340 5.642,1341 10.648,1342 7.071,1343 9.981,1344 0.27,1345 0.149,1346 9.981,1347 5.516,1348 8.729,1349 0.165,1350 0.07,1351 8.729,1352 3.721,1353 7.769,1354 0.104,1355 0.035,1356 7.769,1357 2.648,1358 6.227,1359 0.066,1360 0.019,1361 6.227,1362 1.773,1363 0.361,1364 66.984,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 339.871,1370 136.545,1371 338.575,1372 483.73,1373 318,1374 152,1375 386.392,1376 166.21,1377 390.972,1378 575.98,1379 368,1380 6.839}
{0 CHEMBL1242468,1 1.766,2 7.773,3 1.186,4 1.408,5 81.675,6 8.172,7 0.667,8 3.752,9 3.888,10 3.371,11 3.208,12 5.025,13 3.234,14 4.223,15 4.398,16 3.76,17 3.587,18 5.458,19 3.603,20 4.465,21 4.665,22 3.882,23 3.698,24 5.822,25 3.71,26 4.545,27 4.772,28 3.814,29 3.717,30 5.789,31 3.703,32 4.488,33 4.716,34 3.69,35 3.692,36 5.629,37 3.65,38 4.412,39 4.61,40 3.666,41 3.636,42 5.668,43 3.597,44 4.498,45 4.752,46 3.473,47 3.514,48 5.79,49 3.424,50 4.359,51 4.667,52 3.044,53 3.15,54 5.618,55 3.019,56 0.16,57 0.673,58 6.811,59 2.742,60 19.818,61 3.467,62 0.268,63 1.027,64 12.214,65 4.598,66 29.313,67 6.117,68 0.534,69 1.193,70 17.408,71 5.338,72 62.605,73 7.377,74 0.59,75 1.191,76 19.843,77 5.638,78 65.788,79 7.843,80 0.458,81 1.079,82 18.326,83 5.401,84 47.068,85 8.072,86 0.389,87 1.062,88 15.516,89 5.167,90 39.318,91 7.432,92 0.593,93 0.984,94 20.16,95 5.819,96 69.474,97 8.711,98 0.637,99 0.737,100 21.183,101 5.194,102 89.922,103 8.134,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.838,114 -3.76,115 -3.72,116 -3.54,119 37.8,120 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 3,174 2,175 6,177 1,178 1,180 2,183 3,185 1,186 1,187 4,189 1,190 1,192 3,195 3,197 1,198 2,199 6,201 4,202 4,204 2,207 2,209 1,212 5,214 1,215 2,217 4,220 1,222 3,224 3,227 1,229 3,232 2,234 3,239 1,240 3,241 2,242 2,244 3,245 1,247 2,248 1,255 2,260 1,267 1,270 1,275 608,276 14.646,277 14.646,278 14.646,279 14.646,280 14.646,281 12.71,282 11.565,283 8.322,284 14.995,285 11.722,286 11.722,287 11.722,288 11.722,289 11.722,290 8.795,291 7.997,292 3.816,293 12.347,294 3.444,295 1.034,296 0.419,297 0.291,298 0.291,299 0.291,300 3.821,304 1,305 1,306 359,307 2.828,310 42.576,311 113.692,314 81.322,318 1.087,319 32.293,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 171,332 4.761,333 3.387,334 7.044,335 4.304,336 3.341,337 4.732,339 12.109,340 3.22,341 4.217,342 3.163,343 6.209,344 3.787,345 2.832,346 3.88,348 9.083,349 2.7,350 3.836,351 2.729,352 5.947,353 3.524,354 2.573,355 3.225,357 8.175,358 2.441,359 3.679,360 2.45,361 5.667,362 3.27,363 2.322,364 3.085,366 7.27,367 2.187,368 3.089,369 1.917,370 4.927,371 2.765,372 1.824,373 2.253,375 5.132,376 1.712,377 2.992,378 1.861,379 4.469,380 2.447,381 1.509,382 2.188,384 4.128,385 1.41,386 2.82,387 1.531,388 4.047,389 2.365,390 1.414,391 1.948,393 3.513,394 1.333,395 2.542,396 1.144,397 4.023,398 2.046,399 1.095,400 1.559,402 2.94,403 1.039,404 2.26,405 1.054,406 3.595,407 1.873,408 0.936,409 1.196,411 2.287,412 0.873,413 1.372,414 0.591,415 2.736,416 1.105,417 0.172,418 0.181,420 0.257,421 0.16,422 1.228,423 0.392,424 2.576,425 0.987,426 0.098,427 0.118,428 0.198,429 0.085,430 1.039,431 -0.158,432 2.387,433 0.61,434 -0.302,435 -0.383,436 -0.695,437 -0.275,438 0.78,439 -0.29,440 2.373,441 0.353,442 -0.595,443 -0.77,445 -1.604,446 -0.555,447 0.609,448 -0.714,449 2.205,450 0.113,451 -0.82,452 -1.105,454 -2.254,455 -0.757,456 0.22,457 -0.868,458 2,459 -0.12,460 -1.059,461 -1.255,463 -2.822,464 -0.974,465 10.019,466 0.455,467 0.648,468 0.029,469 29.75,470 1.352,471 15,472 0.682,473 14.75,474 0.67,475 15.96,476 0.725,477 24.181,478 0.654,479 22.216,480 1.01,481 5.949,482 0.27,483 4.575,484 0.208,485 0.192,487 0.439,491 1,493 0.85,494 1.118,495 0.751,496 0.954,497 0.866,498 0.841,499 0.697,500 1.095,501 0.663,502 0.992,503 0.614,504 0.845,505 0.89,506 1.159,507 0.808,508 0.972,509 0.736,510 0.877,511 1.001,512 0.889,513 1.018,514 0.881,515 0.936,516 0.927,517 0.732,518 0.882,519 0.992,520 0.976,521 0.53,522 1.021,523 0.734,524 1.157,525 1.092,526 1.351,527 0.709,528 1.32,529 0.697,530 0.925,531 1.106,532 1.219,533 0.787,534 1.267,535 0.898,536 0.685,537 0.958,538 0.915,539 1.022,540 0.958,541 4.5,543 3.333,544 2.042,545 1.807,546 0.907,547 0.627,548 0.414,549 0.185,550 0.051,551 4133,552 14018,553 2.017,554 40.5,556 6,558 1,559 5,561 3,564 1.654,565 1.833,566 2.953,567 2.824,568 1,569 1,571 1,573 65.334,574 1.766,575 4.175,576 4.79,577 4.919,578 4.919,579 4.919,580 2.392,581 4.459,582 4.43,583 3.047,584 703.914,585 7.655,586 7464.11,587 1,588 1,591 192.75,592 1.544,593 4.36,594 0.188,596 0.095,597 0.054,598 0.052,599 0.029,600 0.022,601 0.02,602 0.015,603 0.01,604 0.484,605 0.33,606 1,607 1.094,608 98.203,609 -0.136,610 -0.02,611 -0.01,612 0.094,613 -0.181,614 0.085,615 0.012,616 -0.053,617 0.151,618 0.04,619 0.021,620 0.116,621 0.033,622 -0.122,623 0.095,624 0.013,625 0.128,626 0.066,627 -0.105,628 0.108,629 -0.089,630 0.051,631 -0.108,632 -0.001,633 -0.078,634 -0.032,635 -0.102,636 -0.024,637 -0.001,638 -0.053,639 -0.016,640 -0.204,641 -0.241,642 -0.362,643 -0.033,644 -0.363,645 0.148,646 -0.075,647 -0.121,648 -0.275,649 0.063,650 -0.278,651 0.164,652 0.068,653 0.192,654 0.025,655 0.109,656 0.096,657 2.368,658 5.254,659 0.682,660 15.364,661 1.023,662 1.152,663 2.528,664 6.393,665 0.655,666 3.219,667 3.584,668 3.912,669 4.205,670 4.477,671 4.615,672 4.71,673 4.787,674 4.736,675 4.615,676 4.739,677 0.645,678 302.35,679 3.219,680 4.779,681 5.659,682 6.567,683 7.474,684 8.391,685 9.308,686 10.23,687 11.151,688 12.075,689 16.2,690 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 24,737 39,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,779 1,781 15,782 7,783 5,784 8,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,833 1,840 2,844 1,846 1,848 22,849 2,853 1,854 1,858 1,869 1,870 2.7,872 1,877 12,878 6.726,879 4.861,880 2.033,881 3.124,882 1.45,883 0.975,884 3.685,885 10.069,886 3.497,887 4.186,888 4.874,889 5.543,890 6.137,891 6.548,892 6.983,893 7.424,894 7.67,895 7.911,896 1,897 38,898 8.108,900 3.55,901 8.114,902 14.841,904 12.122,905 2.614,906 57.5,910 117.711,911 69.658,912 117.805,914 42.683,915 14.96,917 69.658,918 160.394,919 132.765,920 8.825,921 35.003,922 61.326,923 106.404,924 28.031,925 17.288,926 105.94,928 117.711,929 187.463,930 57.643,933 97.358,934 77.997,937 58.695,938 78.533,939 50.234,941 132.671,942 160.488,943 69.658,946 117.711,947 23.785,948 47.649,950 173.672,951 117.711,952 175.448,953 69.658,955 0.592,956 0.365,957 0.193,958 0.113,959 18,960 9,961 0.077,962 3,963 1,964 1.133,965 3.229,966 181.498,967 0.133,968 15,969 98.107,974 14.693,975 5.517,976 2.42,977 1.095,978 173.672,979 5.328,980 12.674,984 0.103,985 1.656,986 108.478,987 362.817,988 32,999 37.869,1000 42.615,1001 0.339,1002 0.801,1003 0.92,1004 0.944,1005 0.944,1006 0.944,1007 4.745,1008 1.095,1009 5.68,1010 3.513,1011 4.263,1012 4.871,1014 6.564,1015 4.164,1016 5.996,1017 0.936,1018 7.292,1019 2.94,1020 4.007,1021 4.856,1023 7.621,1024 3.858,1025 7.34,1026 0.172,1027 9.005,1028 2.287,1029 5.927,1030 7.208,1032 10.768,1033 5.746,1034 8.726,1035 0.098,1036 10.775,1037 0.257,1038 6.479,1039 8.032,1041 12.66,1042 6.251,1043 10.144,1044 -0.302,1045 12.582,1046 0.198,1047 7.909,1048 9.882,1050 15.353,1051 7.654,1052 11.588,1053 -0.595,1054 14.414,1055 -0.695,1056 8.815,1057 11.096,1059 17.594,1060 8.517,1061 13.051,1062 -0.82,1063 16.265,1064 -1.604,1065 10.074,1066 12.752,1068 20.141,1069 9.747,1070 3.341,1071 -1.059,1072 18.131,1073 -2.254,1074 11.137,1075 14.148,1077 22.53,1078 10.77,1079 2.832,1080 12.109,1081 20.009,1082 -2.822,1083 12.34,1084 15.73,1086 25.033,1087 11.942,1088 2.573,1089 9.083,1090 21.898,1091 4.732,1092 13.472,1093 17.209,1095 27.483,1096 13.037,1097 2.322,1098 8.175,1099 23.794,1100 3.88,1101 14.661,1102 18.766,1104 29.975,1105 14.193,1106 1.824,1107 7.27,1108 25.698,1109 3.225,1110 15.826,1111 20.283,1113 32.449,1114 15.323,1115 1.509,1116 5.132,1117 27.609,1118 3.085,1119 17.014,1120 21.832,1122 34.94,1123 16.477,1124 1.414,1125 4.128,1126 29.525,1127 2.253,1128 18.196,1129 23.367,1131 37.425,1132 17.623,1133 4172,1134 7793,1135 15.433,1136 24.233,1137 36.468,1138 37.168,1139 39.356,1140 36.229,1141 36.236,1142 48.731,1144 110.184,1145 34.32,1146 5.486,1147 5.387,1148 6.587,1149 5.377,1150 5.341,1151 7.732,1153 19.605,1154 5.22,1155 12.74,1156 1.519,1157 1.549,1158 1.64,1159 1.51,1160 1.51,1161 2.03,1163 4.591,1164 1.43,1165 4.133,1166 4.181,1167 4.117,1168 3.992,1169 8.201,1170 4.016,1171 3.846,1172 3.873,1173 3.809,1174 3.729,1175 6.465,1176 3.745,1177 3.608,1178 3.687,1179 3.483,1180 3.425,1181 5.256,1182 3.425,1183 3.236,1184 3.327,1185 3.169,1186 2.987,1187 5.012,1188 3.024,1189 3.054,1190 3.168,1191 2.929,1192 2.748,1193 4.853,1194 2.771,1195 2.993,1196 3.111,1197 2.804,1198 2.745,1199 4.571,1200 2.747,1201 2.93,1202 2.971,1203 2.755,1204 2.682,1205 4.374,1206 2.689,1207 2.799,1208 2.868,1209 2.695,1210 2.585,1211 3.892,1212 2.604,1213 0.198,1214 0.141,1215 0.293,1216 0.179,1217 0.139,1218 4.761,1219 0.197,1220 3.387,1222 7.044,1223 0.505,1224 4.304,1225 0.134,1226 3.341,1227 4.732,1229 12.109,1230 3.22,1231 1.922,1232 1.903,1233 1.986,1234 2.04,1235 1.176,1236 2.018,1237 1.795,1238 1.746,1239 1.934,1240 1.987,1241 1.102,1242 1.972,1243 1.617,1244 1.554,1245 1.765,1246 1.826,1247 0.823,1248 1.818,1249 1.151,1250 1.09,1251 1.449,1252 1.472,1253 0.475,1254 1.448,1255 1.027,1256 0.902,1257 1.256,1258 1.348,1259 0.251,1260 1.36,1261 0.883,1262 0.839,1263 1.152,1264 1.231,1265 0.138,1266 1.209,1267 0.875,1268 0.781,1269 1.115,1270 1.135,1271 0.032,1272 1.13,1273 0.766,1274 0.67,1275 1.017,1276 1.076,1278 1.068,1279 3.892,1281 5.242,1282 2.398,1283 6.797,1284 4.844,1285 8.445,1286 7.081,1287 10.143,1289 1.899,1291 13.254,1293 11.645,1294 9.573,1295 0.37,1299 -0.098,1305 23.861,1306 65.334,1307 154.485,1308 177.24,1309 181.995,1310 181.995,1311 181.995,1312 44.647,1313 6.945,1314 115.87,1315 115.87,1316 17,1317 12.581,1318 4.087,1319 3.17,1320 34.119,1321 61,1322 64,1323 0.284,1324 148.351,1325 243.36,1326 353.738,1327 7880,1328 2.7,1329 15.853,1330 0.721,1331 0.539,1332 14.983,1333 11.863,1334 10.524,1335 0.439,1336 0.279,1337 6.569,1338 9.983,1339 6.442,1340 5.341,1341 10.113,1342 6.702,1343 9.626,1344 0.275,1345 0.143,1346 9.13,1347 5.002,1348 8.556,1349 0.175,1350 0.071,1351 7.894,1352 3.496,1353 6.809,1354 0.103,1355 0.034,1356 6.701,1357 2.265,1358 5.709,1359 0.066,1360 0.018,1361 5.509,1362 1.548,1363 0.42,1364 67.084,1365 0.255,1366 20.956,1367 0.861,1368 118,1369 417.466,1370 134.065,1371 381.836,1372 517.19,1373 354,1374 143,1375 388.079,1376 160.169,1377 384.849,1378 567.96,1379 362,1380 5.312}
{0 CHEMBL1242469,1 1.775,2 9,3 1.938,4 3.755,5 83.825,6 8.676,7 0.64,8 3.724,9 3.844,10 3.399,11 3.229,12 5.049,13 3.257,14 4.192,15 4.353,16 3.756,17 3.593,18 5.455,19 3.607,20 4.426,21 4.62,22 3.852,23 3.678,24 5.813,25 3.689,26 4.445,27 4.655,28 3.778,29 3.656,30 5.726,31 3.654,32 4.378,33 4.583,34 3.68,35 3.635,36 5.598,37 3.612,38 4.367,39 4.566,40 3.676,41 3.611,42 5.681,43 3.587,44 4.387,45 4.623,46 3.554,47 3.504,48 5.724,49 3.449,50 4.242,51 4.501,52 3.247,53 3.219,54 5.663,55 3.152,56 0.152,57 0.664,58 5.445,59 2.74,60 22.112,61 3.054,62 0.264,63 1.013,64 10.204,65 4.564,66 30.729,67 5.498,68 0.528,69 1.174,70 15.483,71 5.413,72 78.66,73 6.746,74 0.539,75 1.155,76 16.078,77 5.249,78 71.332,79 6.412,80 0.425,81 1.043,82 14.187,83 4.757,84 49.997,85 6.161,86 0.436,87 1.058,88 13.76,89 4.905,90 51.962,91 6.299,92 0.522,93 0.995,94 16.959,95 5.768,96 68.975,97 7.951,98 0.571,99 0.83,100 16.759,101 4.945,102 87.007,103 6.77,104 21,105 35,106 0.318,107 0.765,108 0.862,109 0.886,110 0.886,111 0.886,112 3.189,113 0.833,114 -3.93,115 -3.89,116 -3.69,119 41.7,121 2,125 1,142 3,143 2,144 2,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 7,177 1,178 1,180 2,183 3,185 1,186 1,187 6,192 2,195 3,198 2,199 7,201 3,202 3,204 2,207 2,209 1,211 1,212 6,215 1,217 3,220 2,222 2,223 1,224 3,227 1,229 2,232 3,234 2,236 1,237 2,240 2,241 1,242 1,244 1,245 3,247 1,250 1,255 1,258 1,262 1,263 2,265 1,266 1,268 1,275 736,276 15.56,277 15.56,278 15.56,279 15.56,280 15.56,281 13.393,282 12.618,283 9.29,284 15.911,285 12.293,286 12.293,287 12.293,288 12.293,289 12.293,290 8.991,291 8.395,292 4.358,293 12.914,294 3.395,295 0.896,296 0.354,297 0.222,298 0.222,299 0.222,300 3.868,303 1,304 1,305 1,306 435,307 2.828,310 46.153,311 121.883,314 87.896,318 1.304,319 34.092,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 51.5,331 207,332 4.745,333 4.037,334 7.001,335 4.28,336 3.314,337 4.723,338 2.308,339 11.956,340 3.201,341 4.211,342 3.351,343 6.081,344 3.768,345 2.814,346 3.878,348 8.746,349 2.677,350 3.72,351 3.154,352 5.801,353 3.321,354 2.377,355 3.141,357 7.69,358 2.233,359 3.67,360 2.516,361 5.567,362 3.249,363 2.306,364 3.081,366 7.04,367 2.168,368 3.494,369 2.429,370 4.501,371 2.669,372 1.697,373 2.238,375 4.256,376 1.648,377 3,378 1.872,379 4.467,380 2.448,381 1.512,382 2.11,384 4.076,385 1.412,386 2.82,387 1.818,388 4.038,389 2.365,390 1.414,391 1.948,393 3.512,394 1.333,395 2.813,396 1.539,397 3.723,398 2.287,399 1.336,400 1.86,402 2.997,403 1.266,404 2.493,405 1.467,406 3.544,407 1.959,408 1.027,409 1.467,411 2.51,412 0.953,413 2.21,414 1.081,415 2.859,416 1.615,417 0.652,418 0.889,420 1.148,421 0.626,422 1.374,423 0.636,424 2.736,425 0.991,426 0.105,427 0.127,428 0.23,429 0.09,430 1.206,431 0.552,432 2.415,433 0.737,434 -0.192,435 -0.25,436 -0.38,437 -0.178,438 1.007,439 -0.121,440 2.375,441 0.54,442 -0.387,443 -0.513,445 -0.782,446 -0.358,447 0.779,448 -0.282,449 2.24,450 0.352,451 -0.595,452 -0.773,454 -1.604,455 -0.555,456 0.602,457 -0.512,458 2.119,459 0.098,460 -0.84,461 -1.162,463 -2.046,464 -0.779,465 10.519,466 0.457,467 0.559,468 0.024,469 33.25,470 1.446,471 18,472 0.783,473 15.25,474 0.663,475 15.249,476 0.663,477 24.281,478 0.674,479 23.951,480 1.041,481 6.527,482 0.284,483 4.586,484 0.199,485 0.135,487 0.371,491 1,493 0.781,494 1.081,495 0.684,496 0.951,497 0.695,498 0.824,499 0.678,500 1.054,501 0.704,502 1.031,503 0.547,504 0.91,505 0.901,506 1.142,507 0.848,508 0.995,509 0.801,510 0.917,511 1.058,512 0.948,513 1.077,514 0.94,515 0.978,516 0.986,517 0.801,518 0.902,519 1.079,520 0.998,521 0.629,522 1.07,523 0.769,524 0.95,525 1.085,526 1.135,527 0.693,528 1.174,529 0.635,530 0.919,531 0.93,532 1.127,533 0.733,534 1.127,535 0.992,536 0.805,537 1.034,538 0.999,539 1.064,540 1.044,541 4,542 0.054,543 2.889,544 1.917,545 1.602,546 0.712,547 0.602,548 0.455,549 0.197,550 0.097,551 4960,552 18343,553 2.041,554 36.1,556 5,558 1,559 3,560 2,561 2,564 1.664,565 1.89,566 3.128,567 1.118,568 1,569 1,571 1,573 63.898,574 1.775,575 4.274,576 4.816,577 4.948,578 4.948,579 4.948,580 2.653,581 3.936,582 4.486,583 3.251,584 822.399,585 7.765,586 9108.91,587 1,588 1,590 1,591 186.117,592 1.478,593 4.443,594 0.16,595 0.011,596 0.083,597 0.052,598 0.047,599 0.023,600 0.02,601 0.018,602 0.012,603 0.01,604 0.435,605 0.33,606 1,607 1.422,608 105.788,609 -0.098,610 -0.048,611 -0.001,612 0.043,613 -0.078,614 0.048,615 0.017,616 -0.061,617 0.08,618 -0.043,619 0.025,620 0.017,621 0.018,622 -0.151,623 0.067,624 -0.024,625 0.055,626 0.03,627 -0.138,628 0.051,629 -0.153,630 -0.015,631 -0.152,632 -0.072,633 -0.122,634 -0.045,635 -0.209,636 -0.08,637 -0.056,638 -0.141,639 -0.018,640 -0.039,641 -0.208,642 -0.197,643 -0.028,644 -0.24,645 0.218,646 -0.071,647 0.096,648 -0.134,649 0.105,650 -0.08,651 0.129,652 0.053,653 0.117,654 0.007,655 0.079,656 0.036,657 2.379,658 5.263,659 0.652,660 18.957,661 1.027,662 1.144,663 2.704,664 7.309,665 0.68,666 3.258,667 3.584,668 3.892,669 4.19,670 4.454,671 4.575,672 4.7,673 4.82,674 4.804,675 4.691,676 5.27,677 0.676,678 312.34,679 3.258,680 4.796,681 5.659,682 6.553,683 7.447,684 8.354,685 9.262,686 10.177,687 11.091,688 12.009,689 16.7,693 1,697 1,698 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 36,733 17,734 1,735 25,737 38,738 15,739 11,740 3,741 3,746 3,747 4,758 2,760 1,761 11,762 3,777 1,778 1,779 1,781 13,782 7,783 3,784 8,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,822 1,840 2,846 1,848 23,849 1,853 1,854 3,861 1,866 1,868 1,869 1,870 2.8,872 1,877 12.167,878 6.51,879 5.167,880 2.074,881 3.226,882 1.459,883 0.971,884 4.095,885 10.248,886 3.584,887 4.216,888 4.874,889 5.532,890 6.116,891 6.515,892 6.965,893 7.422,894 7.694,895 7.932,896 1,897 37,898 8.458,900 3.667,901 8.181,902 15.442,904 12.468,905 2.681,906 61.667,910 117.711,911 82.503,912 115.967,914 42.683,915 14.96,917 82.503,918 160.394,919 130.927,921 7.175,922 61.326,923 123.006,924 59.091,925 17.288,926 105.94,928 117.711,929 198.471,930 57.643,933 109.129,934 66.226,937 53.101,938 95.135,939 50.234,941 132.671,942 158.651,943 82.503,946 117.711,947 28.854,948 38.824,949 16.602,950 171.834,951 117.711,952 173.611,953 82.503,955 0.575,956 0.342,957 0.186,958 0.109,959 17,960 8,961 0.105,962 4,963 1,964 1.133,965 3.42,966 187.098,967 0.133,968 15,969 104.042,974 15.204,975 6.194,976 2.814,977 1.074,978 171.834,979 5.281,980 12.619,984 0.043,985 1.639,986 75.581,987 373.825,988 35,999 36.985,1000 41.2,1001 0.343,1002 0.827,1003 0.931,1004 0.957,1005 0.957,1006 0.957,1007 4.82,1008 1.336,1009 5.652,1010 3.512,1011 4.263,1012 4.902,1013 2.456,1014 6.506,1015 4.167,1016 6.061,1017 1.027,1018 7.238,1019 2.997,1020 3.892,1021 4.808,1023 7.509,1024 3.737,1025 7.391,1026 0.652,1027 8.93,1028 2.51,1029 5.883,1030 7.211,1031 4.057,1032 10.667,1033 5.708,1034 8.762,1035 0.105,1036 10.685,1037 1.148,1038 6.365,1039 8.001,1041 12.543,1042 6.136,1043 10.166,1044 -0.192,1045 12.48,1046 0.23,1047 7.834,1048 9.87,1049 5.715,1050 15.232,1051 7.586,1052 11.597,1053 -0.387,1054 14.304,1055 -0.38,1056 8.705,1057 11.072,1059 17.468,1060 8.413,1061 13.049,1062 -0.595,1063 16.15,1064 -0.782,1065 9.98,1066 12.734,1067 7.386,1068 20.008,1069 9.664,1070 3.314,1071 -0.84,1072 18.011,1073 -1.604,1074 11.027,1075 14.126,1077 22.391,1078 10.674,1079 2.814,1080 11.956,1081 19.885,1082 -2.046,1083 12.234,1084 15.71,1085 9.058,1086 24.886,1087 11.853,1088 2.377,1089 8.746,1090 21.77,1091 4.723,1092 13.358,1093 17.186,1095 27.327,1096 12.943,1097 2.306,1098 7.69,1099 23.664,1100 3.878,1101 14.545,1102 18.742,1103 10.731,1104 29.81,1105 14.101,1106 1.697,1107 7.04,1108 25.566,1109 3.141,1110 15.704,1111 20.257,1113 32.274,1114 15.226,1115 1.512,1116 4.256,1117 27.473,1118 3.081,1119 16.888,1120 21.806,1121 12.404,1122 34.754,1123 16.379,1124 1.414,1125 4.076,1126 29.387,1127 2.238,1128 18.064,1129 23.338,1131 37.228,1132 17.522,1133 4984,1134 9678,1135 16.414,1136 24.472,1137 38.354,1138 40.983,1139 39.166,1140 37.135,1141 37.112,1142 50.923,1143 4.616,1144 108.323,1145 35.215,1146 5.562,1147 6.037,1148 6.91,1149 5.352,1150 5.314,1151 7.723,1152 4.616,1153 19.326,1154 5.201,1155 12.068,1156 1.534,1157 1.639,1158 1.567,1159 1.485,1160 1.484,1161 2.037,1162 0.185,1163 4.333,1164 1.409,1165 4.129,1166 4.176,1167 4.113,1168 3.989,1169 8.201,1170 4.013,1171 3.844,1172 3.871,1173 3.807,1174 3.727,1175 6.818,1176 3.743,1177 3.643,1178 3.708,1179 3.529,1180 3.498,1181 6.465,1182 3.495,1183 3.331,1184 3.418,1185 3.277,1186 3.06,1187 5.254,1188 3.103,1189 3.099,1190 3.156,1191 3.042,1192 2.92,1193 4.867,1194 2.941,1195 2.963,1196 3.082,1197 2.826,1198 2.746,1199 4.572,1200 2.748,1201 2.929,1202 2.97,1203 2.802,1204 2.644,1205 4.379,1206 2.681,1207 2.782,1208 2.848,1209 2.706,1210 2.577,1211 3.893,1212 2.596,1213 0.19,1214 0.161,1215 0.28,1216 0.171,1217 0.133,1218 4.745,1219 0.189,1220 4.037,1221 0.092,1222 7.001,1223 0.478,1224 4.28,1225 0.128,1226 3.314,1227 4.723,1228 2.308,1229 11.956,1230 3.201,1231 1.922,1232 1.903,1233 1.986,1234 2.035,1235 1.222,1236 2.016,1237 1.789,1238 1.742,1239 1.935,1240 1.978,1241 1.107,1242 1.963,1243 1.644,1244 1.588,1245 1.779,1246 1.825,1247 0.851,1248 1.824,1249 1.294,1250 1.226,1251 1.445,1252 1.565,1253 0.559,1254 1.53,1255 1.027,1256 0.972,1257 1.192,1258 1.247,1259 0.21,1260 1.239,1261 0.883,1262 0.839,1263 1.152,1264 1.23,1265 0.125,1266 1.204,1267 0.841,1268 0.734,1269 1.112,1270 1.13,1272 1.129,1273 0.721,1274 0.642,1275 0.936,1276 1.005,1278 0.99,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.844,1285 8.407,1286 7.066,1287 10.092,1291 13.263,1293 5.937,1294 9.575,1295 1.508,1303 8.653,1304 2.076,1305 24.334,1306 63.898,1307 153.853,1308 173.362,1309 178.117,1310 178.117,1311 178.117,1312 47.605,1313 7.022,1314 113.64,1315 113.64,1316 17,1317 12.52,1318 4.17,1319 3.459,1320 36.567,1321 70,1322 92,1323 0.261,1324 152.089,1325 255.38,1326 362.857,1327 8952,1328 2.8,1329 16.397,1330 0.713,1331 0.525,1332 15.527,1333 12.069,1334 11.113,1335 0.445,1336 0.278,1337 6.815,1338 10.566,1339 6.726,1340 5.547,1341 10.703,1342 6.944,1343 9.833,1344 0.281,1345 0.142,1346 9.337,1347 4.957,1348 8.446,1349 0.176,1350 0.072,1351 7.784,1352 3.437,1353 6.927,1354 0.107,1355 0.036,1356 6.818,1357 2.356,1358 5.786,1359 0.068,1360 0.019,1361 5.586,1362 1.596,1363 0.394,1364 70.657,1365 0.247,1366 22.16,1367 0.765,1368 120,1369 449.799,1370 135.732,1371 415.143,1372 553.89,1373 384,1374 143,1375 404.713,1376 159.642,1377 402.319,1378 586.92,1379 378,1380 6.159}
{0 CHEMBL1242470,1 1.744,2 9.75,3 2.394,4 5.732,5 88.426,6 8.368,7 0.615,8 3.791,9 3.914,10 3.437,11 3.296,12 5.082,13 3.314,14 4.274,15 4.443,16 3.787,17 3.664,18 5.494,19 3.663,20 4.521,21 4.729,22 3.88,23 3.754,24 5.849,25 3.746,26 4.538,27 4.76,28 3.808,29 3.733,30 5.764,31 3.712,32 4.48,33 4.701,34 3.714,35 3.703,36 5.635,37 3.669,38 4.455,39 4.662,40 3.715,41 3.682,42 5.717,43 3.65,44 4.482,45 4.716,46 3.624,47 3.618,48 5.766,49 3.553,50 4.361,51 4.612,52 3.381,53 3.403,54 5.724,55 3.325,56 0.138,57 0.702,58 6.445,59 3.069,60 20.731,61 3.621,62 0.25,63 1.073,64 12.106,65 5.162,66 29.291,67 6.515,68 0.522,69 1.248,70 18.45,71 6.198,72 78.561,73 8.211,74 0.537,75 1.23,76 19.085,77 6.039,78 71.093,79 7.901,80 0.432,81 1.118,82 17.4,83 5.317,84 51.546,85 7.445,86 0.455,87 1.136,88 16.136,89 5.238,90 53.244,91 7.064,92 0.52,93 1.093,94 18.811,95 6.331,96 65.704,97 8.834,98 0.567,99 0.95,100 18.298,101 5.73,102 87.35,103 7.878,104 22,105 36,106 0.307,107 0.739,108 0.847,109 0.887,110 0.887,111 0.887,112 3.229,113 0.859,114 -4.18,115 -4.12,116 -3.9,119 41,121 3,125 1,142 3,143 2,144 2,146 1,147 1,148 1,158 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 2,183 4,185 1,186 1,187 6,192 2,195 3,198 2,199 9,201 3,202 3,204 2,207 2,209 1,212 7,215 1,217 3,220 2,222 2,223 1,224 4,227 1,229 2,232 4,234 2,236 1,237 1,240 2,241 1,242 1,244 1,245 4,247 1,249 1,250 2,255 2,258 3,260 1,263 1,268 1,271 1,275 844,276 16.267,277 16.267,278 16.267,279 16.267,280 16.267,281 14.1,282 12.618,283 9.79,284 16.618,285 12.793,286 12.793,287 12.793,288 12.793,289 12.793,290 9.491,291 7.096,292 4.608,293 13.414,294 3.541,295 1.096,296 0.481,297 0.256,298 0.256,299 0.256,300 3.909,303 1,304 1,305 1,306 491,307 3,310 49.436,311 129.451,314 93.955,318 1.521,319 34.433,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.5,331 234,332 4.745,333 4.036,334 7.001,335 4.28,336 3.314,337 4.723,338 2.308,339 11.956,340 3.201,341 4.211,342 3.351,343 6.081,344 3.768,345 2.814,346 3.878,348 8.746,349 2.677,350 3.719,351 3.154,352 5.801,353 3.322,354 2.378,355 3.141,357 7.69,358 2.234,359 3.67,360 2.516,361 5.567,362 3.25,363 2.307,364 3.081,366 7.04,367 2.168,368 3.499,369 2.429,370 4.501,371 2.75,372 1.768,373 2.238,375 4.262,376 1.736,377 3,378 1.876,379 4.467,380 2.451,381 1.516,382 2.116,384 4.08,385 1.413,386 2.836,387 1.859,388 4.038,389 2.368,390 1.414,391 1.948,393 3.512,394 1.343,395 2.82,396 1.568,397 3.76,398 2.362,399 1.414,400 1.897,402 3.272,403 1.331,404 2.531,405 1.517,406 3.626,407 1.997,408 1.05,409 1.49,411 2.558,412 0.991,413 2.395,414 1.088,415 3.085,416 1.878,417 0.924,418 1.213,420 1.768,421 0.879,422 1.599,423 0.967,424 2.736,425 1.133,426 0.177,427 0.227,428 0.315,429 0.168,430 1.371,431 0.587,432 2.483,433 0.987,434 0.097,435 0.119,436 0.209,437 0.085,438 1.071,439 0.078,440 2.377,441 0.629,442 -0.285,443 -0.365,445 -0.64,446 -0.261,447 0.79,448 -0.195,449 2.363,450 0.356,451 -0.594,452 -0.757,454 -1.225,455 -0.554,456 0.738,457 -0.296,458 2.2,459 0.313,460 -0.624,461 -0.828,463 -1.604,464 -0.582,465 11.019,466 0.459,467 0.559,468 0.023,469 33.75,470 1.406,471 18,472 0.75,473 15.75,474 0.656,475 16.911,476 0.705,477 25.581,478 0.656,479 24.381,480 1.016,481 6.527,482 0.272,483 5.086,484 0.212,485 0.129,487 0.354,491 1,493 0.77,494 1.1,495 0.707,496 0.984,497 0.683,498 0.862,499 0.66,500 1.069,501 0.732,502 1.066,503 0.53,504 0.95,505 0.858,506 1.119,507 0.827,508 0.988,509 0.761,510 0.912,511 1.008,512 0.939,513 1.031,514 0.939,515 0.932,516 0.972,517 0.824,518 0.926,519 1.047,520 0.965,521 0.624,522 1.02,523 0.834,524 0.941,525 1.134,526 1.101,527 0.793,528 1.158,529 0.655,530 0.927,531 0.964,532 1.127,533 0.681,534 1.134,535 0.917,536 0.801,537 1.031,538 1.042,539 0.996,540 1.085,541 4,542 0.066,543 2.889,544 1.917,545 1.602,546 0.712,547 0.602,548 0.455,549 0.228,550 0.127,551 5719,552 20248,553 2.04,554 38.5,555 2,556 5,558 1,559 3,560 2,561 2,564 1.674,565 1.895,566 3.225,567 1.08,568 1,569 1,571 1,573 68.018,574 1.744,575 4.189,576 4.805,577 5.029,578 5.029,579 5.029,580 2.757,581 4.418,582 4.545,583 3.367,584 929.278,585 7.879,586 10700.2,587 1,588 1,590 1,591 206.131,592 1.459,593 4.507,594 0.154,595 0.007,596 0.08,597 0.05,598 0.046,599 0.022,600 0.019,601 0.017,602 0.011,603 0.01,604 0.417,605 0.33,606 1,607 1.577,608 112.843,609 -0.083,610 -0.046,611 0.006,612 0.036,613 -0.061,614 0.041,615 0.033,616 -0.069,617 0.075,618 -0.059,619 0.039,620 -0.001,621 0.05,622 -0.141,623 0.108,624 -0.007,625 0.083,626 0.056,627 -0.095,628 0.048,629 -0.087,630 -0.002,631 -0.115,632 -0.035,633 -0.131,634 -0.073,635 -0.146,636 -0.044,637 -0.056,638 -0.077,639 -0.056,640 -0.01,641 -0.25,642 -0.177,643 -0.091,644 -0.24,645 0.187,646 -0.051,647 0.02,648 -0.143,649 0.102,650 -0.119,651 0.151,652 0.086,653 0.041,654 -0.043,655 0.091,656 -0.046,657 2.372,658 5.301,659 0.625,660 21.5,661 1.022,662 1.144,663 2.95,664 8.701,665 0.673,666 3.296,667 3.611,668 3.912,669 4.205,670 4.466,671 4.585,672 4.718,673 4.844,674 4.844,675 4.771,676 5.631,677 0.663,678 326.37,679 3.296,680 4.828,681 5.687,682 6.575,683 7.466,684 8.369,685 9.275,686 10.187,687 11.1,688 12.016,689 15.4,693 1,697 1,698 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 39,733 17,734 1,735 26,737 41,738 16,739 11,740 3,741 3,746 3,747 4,758 3,760 1,761 11,762 4,777 1,778 1,779 1,781 15,782 7,783 3,784 8,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,822 1,840 2,846 1,848 24,849 1,853 1,854 4,861 1,866 1,868 1,869 1,870 2.6,872 1,877 12.667,878 7.01,879 5.417,880 2.324,881 3.207,882 1.452,883 0.966,884 4.593,885 10.301,886 3.611,887 4.23,888 4.882,889 5.536,890 6.118,891 6.51,892 6.96,893 7.416,894 7.68,895 7.934,896 0.857,897 38,898 8.837,900 3.809,901 8.132,902 16.258,904 13.134,905 2.632,906 63.167,910 141.253,911 85.038,912 115.967,914 42.683,915 14.96,917 85.038,918 183.937,919 130.927,921 9.709,922 61.326,923 123.006,924 59.091,925 17.288,926 129.482,928 141.253,929 201.005,930 57.643,933 132.671,934 66.226,937 55.636,938 95.135,939 50.234,941 156.213,942 158.651,943 85.038,946 141.253,947 31.389,948 38.824,949 16.602,950 171.834,951 141.253,952 173.611,953 85.038,955 0.572,956 0.338,957 0.182,958 0.106,959 17,960 8,961 0.122,962 5,963 1,964 1.133,965 3.538,966 196.019,967 0.133,968 15,969 110.039,974 16.167,975 6.818,976 3.179,977 1.127,978 171.834,979 5.34,980 12.732,984 0.111,985 1.695,986 75.581,987 399.902,988 36,999 39.869,1000 44.615,1001 0.33,1002 0.793,1003 0.909,1004 0.951,1005 0.951,1006 0.951,1007 4.844,1008 1.414,1009 5.673,1010 3.512,1011 4.29,1012 4.916,1013 2.456,1014 6.518,1015 4.198,1016 6.078,1017 1.05,1018 7.252,1019 3.272,1020 3.892,1021 4.808,1023 7.509,1024 3.737,1025 7.403,1026 0.924,1027 8.939,1028 2.558,1029 5.9,1030 7.215,1031 4.057,1032 10.669,1033 5.727,1034 8.77,1035 0.177,1036 10.69,1037 1.768,1038 6.365,1039 8.001,1041 12.543,1042 6.136,1043 10.172,1044 0.097,1045 12.484,1046 0.315,1047 7.842,1048 9.871,1049 5.715,1050 15.233,1051 7.596,1052 11.6,1053 -0.285,1054 14.307,1055 0.209,1056 8.705,1057 11.072,1059 17.468,1060 8.413,1061 13.051,1062 -0.594,1063 16.151,1064 -0.64,1065 9.984,1066 12.735,1067 7.386,1068 20.008,1069 9.669,1070 3.314,1071 -0.624,1072 18.012,1073 -1.225,1074 11.027,1075 14.126,1077 22.391,1078 10.674,1079 2.814,1080 11.956,1081 19.886,1082 -1.604,1083 12.235,1084 15.71,1085 9.058,1086 24.886,1087 11.855,1088 2.378,1089 8.746,1090 21.77,1091 4.723,1092 13.358,1093 17.186,1095 27.327,1096 12.943,1097 2.307,1098 7.69,1099 23.664,1100 3.878,1101 14.546,1102 18.742,1103 10.731,1104 29.81,1105 14.101,1106 1.768,1107 7.04,1108 25.566,1109 3.141,1110 15.704,1111 20.257,1113 32.274,1114 15.226,1115 1.516,1116 4.262,1117 27.473,1118 3.081,1119 16.888,1120 21.806,1121 12.404,1122 34.754,1123 16.38,1124 1.414,1125 4.08,1126 29.387,1127 2.238,1128 18.064,1129 23.338,1131 37.228,1132 17.522,1133 5740,1134 10907,1135 17.107,1136 26.233,1137 39.589,1138 42.283,1139 40.473,1140 38.382,1141 38.346,1142 52.142,1143 4.616,1144 110.816,1145 36.45,1146 5.606,1147 6.036,1148 6.937,1149 5.353,1150 5.314,1151 7.723,1152 4.616,1153 19.326,1154 5.201,1155 12.518,1156 1.523,1157 1.626,1158 1.557,1159 1.476,1160 1.475,1161 2.005,1162 0.178,1163 4.262,1164 1.402,1165 4.13,1166 4.177,1167 4.113,1168 3.99,1169 8.201,1170 4.013,1171 3.844,1172 3.871,1173 3.807,1174 3.728,1175 6.818,1176 3.743,1177 3.689,1178 3.753,1179 3.562,1180 3.555,1181 6.465,1182 3.546,1183 3.396,1184 3.48,1185 3.321,1186 3.165,1187 5.254,1188 3.186,1189 3.174,1190 3.241,1191 3.104,1192 2.972,1193 4.867,1194 3.001,1195 3.014,1196 3.116,1197 2.916,1198 2.746,1199 4.572,1200 2.772,1201 2.931,1202 2.972,1203 2.804,1204 2.734,1205 4.38,1206 2.747,1207 2.837,1208 2.918,1209 2.734,1210 2.594,1211 3.993,1212 2.615,1213 0.183,1214 0.155,1215 0.269,1216 0.165,1217 0.127,1218 4.745,1219 0.182,1220 4.036,1221 0.089,1222 7.001,1223 0.46,1224 4.28,1225 0.123,1226 3.314,1227 4.723,1228 2.308,1229 11.956,1230 3.201,1231 1.922,1232 1.903,1233 1.988,1234 2.036,1235 1.294,1236 2.017,1237 1.796,1238 1.747,1239 1.973,1240 1.982,1241 1.109,1242 1.973,1243 1.683,1244 1.63,1245 1.8,1246 1.855,1247 0.901,1248 1.856,1249 1.39,1250 1.32,1251 1.584,1252 1.643,1253 0.744,1254 1.622,1255 1.104,1256 1.048,1257 1.247,1258 1.341,1259 0.298,1260 1.325,1261 0.899,1262 0.84,1263 1.152,1264 1.231,1265 0.181,1266 1.209,1267 0.883,1268 0.819,1269 1.119,1270 1.141,1271 0.114,1272 1.131,1273 0.8,1274 0.693,1275 1.093,1276 1.11,1278 1.111,1279 3.97,1281 5.283,1282 2.398,1283 6.801,1284 4.844,1285 8.423,1286 7.066,1287 10.102,1291 13.301,1293 5.968,1294 9.607,1295 2.574,1303 8.609,1304 2.104,1305 25.861,1306 68.018,1307 163.376,1308 187.376,1309 196.131,1310 196.131,1311 196.131,1312 50.973,1313 7.094,1314 113.64,1315 113.64,1316 17,1317 12.528,1318 4.17,1319 3.459,1320 39.059,1321 78,1322 107,1323 0.249,1324 161.681,1325 272.68,1326 386.262,1327 9951,1328 2.6,1329 17.104,1330 0.713,1331 0.532,1332 16.234,1333 12.776,1334 11.613,1335 0.447,1336 0.286,1337 7.315,1338 11.066,1339 7.216,1340 5.963,1341 11.203,1342 7.444,1343 10.186,1344 0.283,1345 0.148,1346 9.69,1347 5.311,1348 8.696,1349 0.177,1350 0.075,1351 8.034,1352 3.687,1353 7.103,1354 0.108,1355 0.038,1356 6.995,1357 2.514,1358 5.92,1359 0.069,1360 0.02,1361 5.72,1362 1.703,1363 0.38,1364 73.657,1365 0.242,1366 23.171,1367 0.717,1368 124,1369 453.799,1370 139.732,1371 419.305,1372 559.65,1373 388,1374 147,1375 408.713,1376 163.642,1377 406.481,1378 592.68,1379 382,1380 6.405}
{0 CHEMBL1242471,1 1.683,2 8.476,3 1.946,4 3.787,5 78.732,6 7.926,7 0.696,8 3.722,9 3.844,10 3.338,11 3.172,12 4.927,13 3.199,14 4.201,15 4.368,16 3.668,17 3.512,18 5.356,19 3.531,20 4.29,21 4.449,22 3.74,23 3.598,24 5.445,25 3.608,26 4.343,27 4.508,28 3.719,29 3.634,30 5.535,31 3.619,32 4.473,33 4.694,34 3.514,35 3.622,36 5.5,37 3.552,38 4.365,39 4.6,40 3.374,41 3.458,42 5.383,43 3.378,44 4.219,45 4.482,46 3.198,47 3.23,48 5.232,49 3.142,50 4.006,51 4.276,52 2.949,53 2.984,54 5.011,55 2.896,56 0.106,57 0.567,58 6.874,59 2.806,60 9.673,61 3.553,62 0.319,63 0.822,64 13.346,65 4.567,66 24.03,67 5.844,68 0.372,69 0.9,70 14.353,71 4.962,72 21.77,73 6.499,74 0.316,75 0.971,76 14.444,77 5.312,78 26.016,79 6.94,80 0.444,81 0.96,82 19.174,83 5.893,84 33.007,85 8.306,86 0.406,87 0.82,88 17.777,89 5.478,90 31.484,91 7.936,92 0.422,93 0.662,94 16.316,95 4.698,96 31.906,97 7.201,98 0.361,99 0.526,100 13.441,101 3.634,102 27.313,103 5.65,104 15,105 32,106 0.305,107 0.697,108 0.834,109 0.868,110 0.868,111 0.868,112 3.104,113 0.848,114 -3.63,115 -3.6,116 -3.43,119 38.9,120 1,124 1,125 1,142 3,143 2,144 2,147 1,148 1,149 1,152 1,163 1,164 1,165 1,168 1,172 3,174 2,175 6,177 1,178 1,180 3,183 3,185 1,186 1,187 5,190 1,192 2,195 3,198 1,199 6,201 2,202 3,203 1,204 2,206 1,207 2,209 1,212 7,215 1,217 2,220 2,222 2,223 1,224 3,227 1,229 1,232 1,234 1,236 3,239 1,240 1,249 2,252 1,253 1,255 1,258 1,263 1,275 526,276 14.516,277 14.516,278 14.516,279 14.516,280 14.516,281 12.653,282 11.473,283 8.565,284 15.121,285 11.246,286 11.246,287 11.246,288 11.246,289 11.246,290 8.372,291 11.603,292 3.845,293 12.024,294 3.487,295 1.32,296 0.563,297 0.375,298 0.375,299 0.375,300 3.784,303 1,304 1,305 1,306 380,307 2.55,310 41.693,311 114.07,314 79.473,318 1.311,319 18.939,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46.5,331 178,332 4.672,333 3.286,334 6.888,335 4.21,336 3.238,337 4.629,338 0.86,339 11.505,340 3.146,341 4.248,342 3.149,343 6.186,344 3.815,345 2.87,346 3.907,347 0.86,348 9.192,349 2.712,350 3.717,351 2.469,352 5.768,353 3.322,354 2.37,355 3.121,357 7.708,358 2.248,359 3.421,360 2.246,361 5.034,362 2.918,363 1.992,364 2.807,366 5.677,367 1.841,368 3.013,369 2.061,370 4.51,371 2.567,372 1.669,373 2.253,375 4.413,376 1.493,377 2.933,378 1.591,379 4.338,380 2.463,381 1.524,382 2.069,384 3.966,385 1.427,386 2.566,387 1.377,388 3.814,389 2.067,390 1.136,391 1.596,393 2.704,394 1.05,395 2.255,396 1.059,397 3.324,398 1.944,399 1,400 1.206,402 1.982,403 0.937,404 2.128,405 0.939,406 3.227,407 1.683,408 0.73,409 1.01,411 1.719,412 0.694,413 1.661,414 0.785,415 2.762,416 1.383,417 0.501,418 0.567,420 0.781,421 0.437,422 1.11,423 0.226,424 2.593,425 0.815,426 -0.108,427 -0.123,428 -0.183,429 -0.099,430 1.032,431 -0.195,432 2.365,433 0.579,434 -0.33,435 -0.425,436 -0.741,437 -0.299,438 0.625,439 -0.491,440 2.16,441 0.229,442 -0.721,443 -0.883,445 -1.444,446 -0.683,447 0.572,448 -0.633,449 2,450 0.144,451 -0.806,452 -1.021,454 -2.017,455 -0.749,456 0.342,457 -0.916,458 1.893,459 -0.049,460 -1,461 -1.394,463 -2.596,464 -0.944,465 9.667,466 0.46,467 0.431,468 0.021,469 29.75,470 1.417,471 15.5,472 0.738,473 14.25,474 0.679,475 13.787,476 0.657,477 22.733,478 0.631,479 20.203,480 0.962,481 6.045,482 0.288,483 4.196,484 0.2,485 0.145,487 0.362,493 0.95,494 1.289,495 0.746,496 1.113,497 1.056,498 0.914,499 1.231,500 0.92,501 0.766,502 0.803,503 0.904,504 0.717,505 1.118,506 1.187,507 0.812,508 0.969,509 0.897,510 0.86,511 0.969,512 1.182,513 1.033,514 1.251,515 0.899,516 1.18,517 1.166,518 1.036,519 1.187,520 1.073,521 1.075,522 1.127,523 0.967,524 1.068,525 1.054,526 1.121,527 1.038,528 1.118,529 0.668,530 0.893,531 0.856,532 0.976,533 0.697,534 0.963,535 0.785,536 0.888,537 0.886,538 0.908,539 0.641,540 0.922,541 3.5,542 0.021,543 2.667,544 1.5,545 1.357,546 0.615,547 0.424,548 0.306,549 0.126,550 0.086,551 3974,552 11774,553 2.074,554 41.7,556 8,558 1,559 3,561 3,564 1.635,565 1.938,566 3.066,567 1.156,568 1,569 1,571 1,573 60.601,574 1.683,575 3.85,576 4.607,577 4.795,578 4.795,579 4.795,580 2.529,581 4.202,582 4.362,583 3.167,584 665.048,585 7.492,586 6847.3,587 1,588 1,590 1,591 186.117,592 1.418,593 4.322,594 0.152,595 0.005,596 0.083,597 0.044,598 0.042,599 0.025,600 0.02,601 0.018,602 0.01,603 0.011,604 0.41,605 0.5,606 1,607 1.142,608 93.364,609 -0.075,610 -0.073,611 0.046,612 -0.064,613 -0.173,614 0.01,615 -0.097,616 0.148,617 0.148,618 0.206,619 0.036,620 0.219,621 -0.004,622 -0.125,623 0.089,624 0.055,625 0.035,626 0.083,627 -0.022,628 -0.062,629 -0.167,630 -0.254,631 0.03,632 -0.256,633 -0.182,634 -0.066,635 -0.225,636 -0.093,637 -0.169,638 -0.156,639 0.005,640 -0.153,641 -0.062,642 -0.136,643 -0.068,644 -0.12,645 0.29,646 -0.033,647 0.188,648 -0.012,649 0.26,650 0.053,651 0.226,652 -0.044,653 0.179,654 0.035,655 0.343,656 0.084,657 1.281,658 2.011,659 0.714,660 15.007,661 1.016,662 1.139,663 2.399,664 5.757,665 0.66,666 3.178,667 3.497,668 3.829,669 4.127,670 4.317,671 4.382,672 4.5,673 4.625,674 4.595,675 4.533,676 4.968,677 0.644,678 285.34,679 3.178,680 4.71,681 5.58,682 6.472,683 7.363,684 8.264,685 9.162,686 10.066,687 10.967,688 11.873,689 13.9,693 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,722 1,729 2,731 36,733 16,734 1,735 23,737 38,738 14,739 11,740 3,741 3,746 3,747 4,752 1,761 11,762 3,777 1,778 1,781 15,782 6,783 3,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 21,849 1,854 1,856 2,870 5.6,875 2,877 10.833,878 7.1,879 4.806,880 2.069,881 3.202,882 1.466,883 0.99,884 3.73,885 10.074,886 3.466,887 4.123,888 4.813,889 5.473,890 6.014,891 6.382,892 6.832,893 7.293,894 7.537,895 7.825,896 0.833,897 34,898 7.67,900 3.176,901 7.77,902 14.415,904 11.311,905 2.27,906 47.667,910 141.253,911 84.393,912 99.794,914 22,917 84.393,918 163.253,919 99.794,920 19.708,921 4.592,922 61.326,923 62.005,924 65.242,925 5.085,926 129.482,928 141.253,929 184.188,930 22,933 107.655,934 57.313,937 38.699,938 93.539,939 50.234,941 141.253,942 121.794,943 84.393,946 141.253,947 27.638,948 56.756,949 16.663,950 105.131,951 141.253,952 121.794,953 84.393,955 0.569,956 0.356,957 0.208,958 0.11,959 16,960 7,961 0.105,962 4,963 1,964 1.133,965 3.265,966 165.016,967 0.133,968 15,969 92.239,974 13.798,975 5.676,976 2.436,977 1.231,978 105.131,979 7.017,980 12.236,981 2.945,984 3.352,986 49.56,987 347.441,988 31,999 36.582,1000 40.986,1001 0.326,1002 0.745,1003 0.891,1004 0.927,1005 0.927,1006 0.927,1007 4.682,1008 1,1009 5.565,1010 2.704,1011 4.174,1012 4.808,1013 1.376,1014 6.418,1015 4.061,1016 5.908,1017 0.73,1018 7.148,1019 1.982,1020 3.761,1021 4.691,1023 7.427,1024 3.63,1025 7.236,1026 0.501,1027 8.836,1028 1.719,1029 5.796,1030 7.128,1031 1.159,1032 10.562,1033 5.606,1034 8.609,1035 -0.108,1036 10.587,1037 0.781,1038 6.256,1039 7.896,1041 12.424,1042 6.05,1043 10.018,1044 -0.33,1045 12.379,1046 -0.183,1047 7.737,1048 9.776,1049 0.963,1050 15.076,1051 7.489,1052 11.453,1053 -0.721,1054 14.198,1055 -0.741,1056 8.587,1057 10.949,1059 17.275,1060 8.319,1061 12.908,1062 -0.806,1063 16.037,1064 -1.444,1065 9.858,1066 12.61,1067 0.787,1068 19.773,1069 9.558,1070 3.238,1071 -1,1072 17.891,1073 -2.017,1074 10.882,1075 13.972,1077 22.11,1078 10.557,1079 2.87,1080 11.505,1081 19.757,1082 -2.596,1083 12.075,1084 15.545,1085 0.634,1086 24.561,1087 11.722,1088 2.37,1089 9.192,1090 21.631,1091 4.629,1092 13.174,1093 16.994,1095 26.954,1096 12.796,1097 1.992,1098 7.708,1099 23.514,1100 3.907,1101 14.341,1102 18.534,1103 0.504,1104 29.392,1105 13.937,1106 1.669,1107 5.677,1108 25.402,1109 3.121,1110 15.473,1111 20.023,1113 31.811,1114 15.043,1115 1.524,1116 4.413,1117 27.296,1118 2.807,1119 16.633,1120 21.551,1121 0.395,1122 34.247,1123 16.178,1124 1.136,1125 3.966,1126 29.194,1127 2.253,1128 17.782,1129 23.06,1131 36.677,1132 17.3,1133 3957,1134 6934,1135 15.315,1136 23.745,1137 34.269,1138 34.704,1139 36.092,1140 34.047,1141 34.058,1142 46.332,1143 3.44,1144 99.291,1145 31.969,1146 5.396,1147 5.286,1148 6.654,1149 5.282,1150 5.238,1151 7.629,1152 1.72,1153 18.719,1154 5.146,1155 9.802,1156 1.49,1157 1.509,1158 1.569,1159 1.48,1160 1.481,1161 2.014,1162 0.15,1163 4.317,1164 1.39,1165 4.109,1166 4.154,1167 4.09,1168 3.978,1169 5.283,1170 3.999,1171 3.845,1172 3.867,1173 3.804,1174 3.714,1175 4.947,1176 3.734,1177 3.467,1178 3.538,1179 3.316,1180 3.261,1181 4.87,1182 3.254,1183 3.324,1184 3.414,1185 3.211,1186 3.038,1187 4.513,1188 3.074,1189 3.221,1190 3.298,1191 3.049,1192 2.94,1193 4.478,1194 2.952,1195 3,1196 3.11,1197 2.888,1198 2.707,1199 4.248,1200 2.746,1201 2.798,1202 2.866,1203 2.658,1204 2.638,1205 3.751,1206 2.627,1207 2.739,1208 2.8,1209 2.552,1210 2.553,1211 3.627,1212 2.554,1213 0.203,1214 0.143,1215 0.299,1216 0.183,1217 0.141,1218 4.672,1219 0.201,1220 3.286,1221 0.037,1222 6.888,1223 0.5,1224 4.21,1225 0.137,1226 3.238,1227 4.629,1228 0.86,1229 11.505,1230 3.146,1231 1.931,1232 1.914,1233 2.001,1234 2.036,1235 1.14,1236 2.024,1237 1.74,1238 1.705,1239 1.816,1240 1.93,1241 0.939,1242 1.896,1243 1.464,1244 1.392,1245 1.767,1246 1.72,1247 0.83,1248 1.735,1249 1.288,1250 1.214,1251 1.574,1252 1.619,1253 0.574,1254 1.587,1255 1.171,1256 1.09,1257 1.384,1258 1.483,1259 0.324,1260 1.493,1261 0.871,1262 0.79,1263 1.162,1264 1.244,1265 0.15,1266 1.232,1267 0.789,1268 0.72,1269 1.087,1270 1.065,1271 0.114,1272 1.062,1273 0.783,1274 0.679,1275 1.021,1276 0.977,1278 1.008,1279 3.85,1281 5.165,1282 2.398,1283 6.696,1284 4.727,1285 8.329,1286 6.862,1287 10.014,1289 3.526,1293 5.92,1295 0.573,1297 10.868,1305 23.171,1306 60.601,1307 138.608,1308 165.853,1309 172.608,1310 172.608,1311 172.608,1312 26.279,1313 6.871,1314 98.94,1315 98.94,1316 17,1317 12.392,1318 4.087,1319 3.17,1320 32.079,1321 62,1322 70,1323 0.263,1324 144.355,1325 235.08,1326 343.987,1327 7594,1329 14.82,1330 0.706,1331 0.56,1332 14.82,1333 11.752,1334 10.241,1335 0.445,1336 0.283,1337 6.352,1338 9.642,1339 6.186,1340 5.166,1341 10.241,1342 6.5,1343 8.777,1344 0.274,1345 0.136,1346 8.777,1347 4.355,1348 7.771,1349 0.173,1350 0.07,1351 7.771,1352 3.132,1353 6.812,1354 0.112,1355 0.036,1356 6.812,1357 2.186,1358 5.352,1359 0.072,1360 0.019,1361 5.352,1362 1.393,1363 0.398,1364 65.573,1365 0.256,1366 20.43,1367 0.763,1368 110,1369 364.052,1370 124.498,1371 345.74,1372 480.57,1373 326,1374 132,1375 364.226,1376 147.193,1377 366.088,1378 537,1379 343,1380 5.456}
{0 CHEMBL1242472,1 1.596,2 8.75,3 2.742,4 7.519,5 94.237,6 7.276,7 0.615,8 3.912,9 4.041,10 3.46,11 3.364,12 5.04,13 3.364,14 4.433,15 4.625,16 3.813,17 3.712,18 5.487,19 3.706,20 4.577,21 4.77,22 3.926,23 3.838,24 5.661,25 3.829,26 4.659,27 4.859,28 3.944,29 3.927,30 5.755,31 3.891,32 4.726,33 4.934,34 3.815,35 3.957,36 5.729,37 3.881,38 4.711,39 4.928,40 3.738,41 3.904,42 5.728,43 3.805,44 4.751,45 5.031,46 3.52,47 3.767,48 5.693,49 3.626,50 4.563,51 4.86,52 3.315,53 3.491,54 5.426,55 3.355,56 0.063,57 0.683,58 9.739,59 3.759,60 10.429,61 5.187,62 0.284,63 1.02,64 18.504,65 5.902,66 25.594,67 8.403,68 0.398,69 1.18,70 21.477,71 6.275,72 29.063,73 9.334,74 0.358,75 1.301,76 22.956,77 7.343,78 34.596,79 10.691,80 0.39,81 1.313,82 24.985,83 7.88,84 35.047,85 11.625,86 0.326,87 1.261,88 24.575,89 8.188,90 34.76,91 12.222,92 0.517,93 1.148,94 27.716,95 7.985,96 51.599,97 12.667,98 0.433,99 0.857,100 23.878,101 6.942,102 38.704,103 10.786,104 36,105 37,106 0.276,107 0.627,108 0.773,109 0.831,110 0.831,111 0.831,112 3.23,113 0.907,114 -4.38,115 -4.31,116 -4.07,119 37.8,120 3,124 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 10,177 1,178 1,180 1,183 4,185 1,186 2,187 9,195 3,198 2,199 9,201 3,202 3,204 1,207 4,209 1,211 1,212 7,217 2,220 4,222 2,223 2,224 5,229 3,232 5,234 3,236 3,239 1,240 1,245 2,249 2,250 3,252 1,253 1,258 1,263 3,275 786,276 16.223,277 16.223,278 16.223,279 16.223,280 16.223,281 14.392,282 17.798,283 9.469,284 16.867,285 12.714,286 12.714,287 12.714,288 12.714,289 12.714,290 9.782,291 16.603,292 4.261,293 13.566,294 3.896,295 1.869,296 1.023,297 0.689,298 0.689,299 0.689,300 3.907,303 1,304 1,305 1,306 441,307 3.162,310 49.03,311 131.305,314 93.298,318 1.375,319 20.751,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 210,332 4.76,333 3.383,334 7.039,335 4.302,336 3.339,337 4.732,338 0.86,339 12.088,340 3.218,341 4.263,342 3.19,343 6.241,344 3.844,345 2.895,346 3.917,347 0.86,348 9.331,349 2.744,350 3.823,351 2.687,352 6.064,353 3.499,354 2.549,355 3.22,357 8.541,358 2.416,359 3.707,360 2.46,361 5.71,362 3.308,363 2.357,364 3.113,366 7.446,367 2.234,368 3.035,369 2.245,370 4.82,371 2.684,372 1.744,373 2.261,375 4.819,376 1.637,377 2.993,378 1.823,379 4.53,380 2.567,381 1.669,382 2.128,384 4.436,385 1.493,386 2.933,387 1.591,388 4.349,389 2.463,390 1.522,391 2.069,393 3.997,394 1.426,395 2.54,396 1.376,397 3.862,398 2.066,399 1.135,400 1.557,402 2.771,403 1.05,404 2.217,405 1.057,406 3.495,407 1.948,408 1,409 1.182,411 2.126,412 0.942,413 2.101,414 0.94,415 3.236,416 1.757,417 0.799,418 1.007,420 1.827,421 0.763,422 1.662,423 0.848,424 2.762,425 1.383,426 0.502,427 0.568,428 0.781,429 0.438,430 1.111,431 0.227,432 2.681,433 0.815,434 -0.108,435 -0.123,436 -0.183,437 -0.098,438 1.046,439 -0.161,440 2.425,441 0.608,442 -0.302,443 -0.385,445 -0.691,446 -0.275,447 0.658,448 -0.491,449 2.257,450 0.232,451 -0.715,452 -0.883,454 -1.454,455 -0.674,456 0.579,457 -0.633,458 2.199,459 0.144,460 -0.805,461 -1,463 -2,464 -0.748,465 11.167,466 0.465,467 0.61,468 0.025,469 31.5,470 1.313,471 15.5,472 0.646,473 16,474 0.667,475 19.723,476 0.822,477 26.633,478 0.592,479 23.021,480 0.959,481 6.144,482 0.256,483 5.418,484 0.226,485 0.215,487 0.394,493 0.9,494 1.427,495 0.807,496 1.235,497 1.064,498 1.036,499 1.184,500 1.033,501 0.745,502 0.843,503 0.83,504 0.745,505 1.213,506 1.136,507 0.857,508 0.857,509 0.914,510 0.799,511 0.995,512 1.062,513 0.964,514 1.027,515 0.98,516 0.991,517 1.192,518 1.124,519 1.207,520 1.114,521 1.089,522 1.152,523 0.855,524 1.313,525 1.141,526 1.331,527 1.043,528 1.295,529 0.729,530 0.916,531 1.035,532 1.041,533 1.175,534 1.072,535 0.795,536 0.825,537 0.776,538 0.882,539 0.57,540 0.843,541 4.5,542 0.054,543 3.111,544 2.167,545 1.967,546 1.035,547 0.606,548 0.458,549 0.265,550 0.126,551 5355,552 14064,553 2.015,554 46.7,556 9,558 1,559 2,561 9,564 1.676,565 1.846,566 3.101,567 0.337,568 1,569 1,571 1,573 71.798,574 1.596,575 3.623,576 4.469,577 4.803,578 4.803,579 4.803,580 2.555,581 4.418,582 4.553,583 3.237,584 893.303,585 7.896,586 10114.2,588 1,590 1,591 247.133,592 1.528,593 4.493,594 0.173,595 0.008,596 0.084,597 0.053,598 0.048,599 0.03,600 0.02,601 0.02,602 0.014,603 0.01,604 0.458,605 0.17,606 1,607 1.229,608 111.572,609 -0.005,610 -0.167,611 0.066,612 -0.12,613 -0.146,614 -0.029,615 -0.018,616 0.057,617 0.221,618 0.172,619 0.12,620 0.222,621 -0.026,622 -0.029,623 0.114,624 0.133,625 0.068,626 0.148,627 -0.014,628 0.074,629 -0.023,630 -0.028,631 0.029,632 -0.031,633 -0.197,634 -0.039,635 -0.264,636 -0.105,637 -0.174,638 -0.182,639 -0.002,640 -0.267,641 -0.21,642 -0.304,643 -0.067,644 -0.298,645 0.138,646 0.012,647 -0.047,648 -0.1,649 -0.08,650 -0.098,651 0.218,652 -0.022,653 0.253,654 0.065,655 0.332,656 0.151,657 1.255,658 2.096,659 0.625,660 18.833,661 1.005,662 1.138,663 3.148,664 9.911,665 0.645,666 3.296,667 3.638,668 3.97,669 4.29,670 4.543,671 4.673,672 4.771,673 4.89,674 4.905,675 4.883,676 5.264,677 0.617,678 327.43,679 3.296,680 4.844,681 5.72,682 6.627,683 7.531,684 8.447,685 9.361,686 10.282,687 11.201,688 12.124,689 11.1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 45,733 16,734 1,735 26,737 47,738 17,739 11,740 3,741 3,746 3,747 4,752 3,758 1,761 11,762 6,777 1,778 1,781 21,782 6,783 2,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 4,848 24,849 1,854 1,856 2,858 1,870 4.4,875 2,877 13,878 9.383,879 5.444,880 2.78,881 3.163,882 1.443,883 0.957,884 4.693,885 10.3,886 3.555,887 4.216,888 4.912,889 5.589,890 6.172,891 6.585,892 7.027,893 7.48,894 7.76,895 8.05,896 0.833,897 41,898 8.811,900 3.629,901 7.688,902 16.77,904 13.249,905 2.188,906 52.5,909 1,910 223.651,911 102.044,912 84.908,914 22,917 102.044,918 245.651,919 84.908,920 37.359,921 4.592,922 61.326,923 63.72,924 51.397,925 2.328,926 211.88,928 223.651,929 186.952,930 22,933 117.711,934 127.94,937 45.935,938 90.782,939 50.234,941 223.651,942 106.908,943 102.044,946 223.651,947 27.638,948 76.183,950 105.131,951 223.651,952 106.908,953 102.044,955 0.576,956 0.356,957 0.207,958 0.119,959 18,960 9,961 0.106,962 5,963 1,964 1.133,965 3.415,966 202.114,967 0.133,968 15,969 108.039,974 16.681,975 6.753,976 2.982,977 1.47,978 105.131,979 7.162,980 13.174,984 3.367,985 1.853,986 32.897,987 432.602,988 34,999 45.232,1000 51.232,1001 0.291,1002 0.66,1003 0.814,1004 0.874,1005 0.874,1006 0.874,1007 4.796,1008 1.135,1009 5.727,1010 3.997,1011 4.317,1012 4.902,1013 1.376,1014 6.608,1015 4.206,1016 6.031,1017 1,1018 7.331,1019 2.771,1020 4.007,1021 4.856,1023 7.667,1024 3.871,1025 7.367,1026 0.799,1027 9.039,1028 2.126,1029 5.969,1030 7.226,1031 1.159,1032 10.813,1033 5.771,1034 8.748,1035 0.502,1036 10.808,1037 1.827,1038 6.494,1039 8.043,1041 12.71,1042 6.269,1043 10.165,1044 -0.108,1045 12.614,1046 0.781,1047 7.946,1048 9.897,1049 0.963,1050 15.392,1051 7.676,1052 11.609,1053 -0.302,1054 14.447,1055 -0.183,1056 8.84,1057 11.11,1059 17.63,1060 8.538,1061 13.073,1062 -0.715,1063 16.299,1064 -0.691,1065 10.107,1066 12.766,1067 0.787,1068 20.167,1069 9.768,1070 3.339,1071 -0.805,1072 18.165,1073 -1.454,1074 11.164,1075 14.161,1077 22.549,1078 10.791,1079 2.895,1080 12.088,1081 20.043,1082 -2,1083 12.369,1084 15.742,1085 0.634,1086 25.044,1087 11.961,1088 2.549,1089 9.331,1090 21.931,1091 4.732,1092 13.499,1093 17.22,1095 27.487,1096 13.056,1097 2.357,1098 8.541,1099 23.826,1100 3.917,1101 14.686,1102 18.776,1103 0.504,1104 29.973,1105 14.21,1106 1.744,1107 7.446,1108 25.729,1109 3.22,1110 15.849,1111 20.292,1113 32.442,1114 15.338,1115 1.669,1116 4.819,1117 27.637,1118 3.113,1119 17.035,1120 21.84,1121 0.395,1122 34.927,1123 16.49,1124 1.522,1125 4.436,1126 29.55,1127 2.261,1128 18.214,1129 23.374,1131 37.408,1132 17.634,1133 5409,1134 8904,1135 16.819,1136 29.029,1137 39.297,1138 39.738,1139 41.772,1140 38.998,1141 39.022,1142 51.506,1143 3.44,1144 116.323,1145 36.721,1146 5.485,1147 5.383,1148 6.805,1149 5.375,1150 5.339,1151 7.732,1152 1.72,1153 19.555,1154 5.218,1155 13.734,1156 1.511,1157 1.528,1158 1.607,1159 1.5,1160 1.501,1161 1.981,1162 0.132,1163 4.474,1164 1.412,1165 4.134,1166 4.18,1167 4.117,1168 3.994,1169 5.257,1170 4.017,1171 3.86,1172 3.88,1173 3.816,1174 3.737,1175 4.937,1176 3.754,1177 3.577,1178 3.655,1179 3.445,1180 3.407,1181 4.833,1182 3.4,1183 3.465,1184 3.535,1185 3.289,1186 3.26,1187 4.515,1188 3.252,1189 3.272,1190 3.337,1191 3.13,1192 3.008,1193 4.478,1194 3.031,1195 3.158,1196 3.247,1197 3.004,1198 2.915,1199 4.262,1200 2.927,1201 2.998,1202 3.106,1203 2.875,1204 2.692,1205 4.038,1206 2.729,1207 2.874,1208 3.009,1209 2.651,1210 2.637,1211 3.722,1212 2.624,1213 0.183,1214 0.13,1215 0.271,1216 0.165,1217 0.128,1218 4.76,1219 0.182,1220 3.383,1221 0.033,1222 7.039,1223 0.465,1224 4.302,1225 0.124,1226 3.339,1227 4.732,1228 0.86,1229 12.088,1230 3.218,1231 1.927,1232 1.91,1233 1.996,1234 2.04,1235 1.155,1236 2.022,1237 1.796,1238 1.75,1239 1.945,1240 1.992,1241 1.118,1242 1.975,1243 1.614,1244 1.552,1245 1.804,1246 1.823,1247 0.937,1248 1.821,1249 1.455,1250 1.381,1251 1.754,1252 1.691,1253 0.826,1254 1.722,1255 1.213,1256 1.147,1257 1.57,1258 1.521,1259 0.574,1260 1.535,1261 1.102,1262 1.032,1263 1.417,1264 1.382,1265 0.469,1266 1.359,1267 0.934,1268 0.804,1269 1.25,1270 1.239,1271 0.267,1272 1.308,1273 0.872,1274 0.781,1275 1.151,1276 1.21,1277 0.144,1278 1.198,1279 3.97,1281 5.303,1282 2.398,1283 6.847,1284 4.844,1285 8.491,1286 7.081,1287 10.19,1289 7.647,1293 6.096,1295 0.571,1297 11.008,1299 0.153,1305 27.751,1306 71.798,1307 163.02,1308 201.094,1309 216.114,1310 216.114,1311 216.114,1312 35.764,1313 7.137,1314 88.08,1315 88.08,1316 17,1317 12.631,1318 4.087,1319 3.17,1320 39.001,1321 74,1322 90,1323 0.265,1324 173.132,1325 286.98,1326 414.203,1327 10184,1329 17.267,1330 0.719,1331 0.595,1332 17.267,1333 14.277,1334 11.562,1335 0.445,1336 0.302,1337 7.709,1338 10.937,1339 7.41,1340 6.236,1341 11.562,1342 7.863,1343 10.247,1344 0.277,1345 0.153,1346 10.247,1347 5.643,1348 8.763,1349 0.169,1350 0.072,1351 8.763,1352 3.744,1353 7.644,1354 0.106,1355 0.037,1356 7.644,1357 2.647,1358 6.304,1359 0.068,1360 0.019,1361 6.304,1362 1.81,1363 0.399,1364 73.539,1365 0.244,1366 22.805,1367 0.778,1368 126,1369 385.364,1370 141.858,1371 366.659,1372 514.29,1373 346,1374 152,1375 396.293,1376 169.053,1377 397.613,1378 586.69,1379 373,1380 6.208}
{0 CHEMBL1242473,1 1.411,2 8.625,3 3.428,4 11.754,5 95.789,6 7.693,7 0.75,8 3.849,9 3.974,10 3.47,11 3.452,12 4.938,13 3.434,14 4.342,15 4.511,16 3.798,17 3.829,18 5.376,19 3.785,20 4.543,21 4.753,22 3.864,23 3.916,24 5.534,25 3.858,26 4.576,27 4.8,28 3.841,29 3.89,30 5.613,31 3.829,32 4.519,33 4.738,34 3.727,35 3.846,36 5.498,37 3.776,38 4.475,39 4.692,40 3.648,41 3.801,42 5.473,43 3.723,44 4.478,45 4.715,46 3.562,47 3.75,48 5.413,49 3.649,50 4.416,51 4.68,52 3.245,53 3.596,54 5.313,55 3.452,56 0.055,57 0.66,58 7.83,59 3.403,60 8.446,61 4.482,62 0.143,63 1.052,64 14.16,65 5.795,66 15.239,67 7.838,68 0.133,69 1.235,70 18.932,71 7.169,72 19.214,73 10.025,74 0.287,75 1.296,76 20.151,77 7,78 29.821,79 9.801,80 0.177,81 1.203,82 18.808,83 6.452,84 23.032,85 8.996,86 0.176,87 1.15,88 17.865,89 6.134,90 26.699,91 8.51,92 0.13,93 1.106,94 18.673,95 6.888,96 21.92,97 9.757,98 0.178,99 1.005,100 18.507,101 6.428,102 28.163,103 9.188,104 2,105 41,106 0.244,107 0.613,108 0.746,109 0.82,110 0.84,111 0.857,112 3.23,113 0.885,114 -5.69,115 -5.56,116 -5.18,119 46.3,121 2,122 1,125 1,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 14,174 2,175 6,177 1,178 1,180 1,183 15,185 1,186 1,187 6,195 14,198 2,199 9,201 3,202 3,204 1,207 9,209 1,212 10,217 2,220 7,222 2,224 9,229 3,232 6,234 3,237 9,242 4,245 7,247 4,250 5,255 2,258 6,260 2,263 2,268 1,271 6,273 1,275 788,276 16.74,277 16.74,278 16.74,279 16.74,280 16.74,281 14.342,282 7.906,283 9.73,284 16.978,285 13.864,286 13.864,287 13.864,288 13.864,289 13.864,290 10.243,291 5,292 4.645,293 14.259,294 3.947,295 1.806,296 1.034,297 0.604,298 0.488,299 0.39,300 3.938,303 1,304 1,305 1,306 475,307 2.345,308 34.459,310 42.84,311 158.841,314 82.633,315 87.972,318 1.24,319 14.638,321 1,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 50.5,331 207,332 4.75,333 3.349,334 7.004,335 4.287,336 3.32,337 4.729,339 11.967,340 3.212,341 4.394,342 2.917,343 6.219,344 3.903,345 2.909,346 4.323,348 9.322,349 2.89,350 3.833,351 2.724,352 5.936,353 3.677,354 2.686,355 3.283,357 8.309,358 2.662,359 3.749,360 2.403,361 5.662,362 3.366,363 2.391,364 3.14,366 7.578,367 2.33,368 3.512,369 2.316,370 5.384,371 3.175,372 2.233,373 2.6,375 6.751,376 2.098,377 3.118,378 1.618,379 4.533,380 2.618,381 1.618,382 2.427,384 4.493,385 1.618,386 3.079,387 1.58,388 4.444,389 2.54,390 1.58,391 2.368,393 4.131,394 1.518,395 2.865,396 1.471,397 4.367,398 2.356,399 1.388,400 2.042,402 3.946,403 1.34,404 2.728,405 1.36,406 3.692,407 2.29,408 1.336,409 1.814,411 2.994,412 1.269,413 2.471,414 1.036,415 3.594,416 1.962,417 1.018,418 1.458,420 2.525,421 0.958,422 2.138,423 0.649,424 3.164,425 1.639,426 0.646,427 0.961,428 1.525,429 0.641,430 1.366,431 0.284,432 3.061,433 1.217,434 0.236,435 0.259,436 0.62,437 0.231,438 1.078,439 -0.154,440 2.682,441 0.664,442 -0.273,443 -0.345,445 -0.644,446 -0.253,447 1.019,448 -0.406,449 2.422,450 0.556,451 -0.413,452 -0.577,454 -1.032,455 -0.403,456 0.882,457 -0.618,458 2.261,459 0.382,460 -0.618,461 -0.878,463 -1.598,464 -0.618,465 11.5,466 0.479,467 0.551,468 0.023,469 34.5,470 1.438,471 18.5,472 0.771,473 16,474 0.667,475 16.735,476 0.697,477 23.9,478 0.583,479 22.716,480 0.947,481 6.412,482 0.267,483 5.381,484 0.224,485 0.035,487 0.383,493 0.844,494 1.081,495 0.74,496 0.896,497 0.977,498 0.822,499 0.786,500 1.03,501 0.858,502 0.981,503 0.615,504 0.938,505 0.918,506 1.149,507 0.823,508 0.975,509 0.764,510 0.904,511 1.045,512 0.93,513 0.945,514 0.901,515 0.939,516 0.909,517 1.421,518 1.078,519 1.094,520 0.969,521 1.121,522 0.988,523 1.487,524 1.078,525 1.195,526 1.025,527 1.564,528 1.065,529 1.037,530 1.154,531 1.039,532 1.105,533 1.143,534 1.079,535 1.262,536 0.982,537 1.239,538 1.085,539 1.386,540 1.145,541 4,542 0.011,543 2.722,544 1.694,545 1.584,546 0.629,547 0.473,548 0.377,549 0.11,550 0.095,551 6576,552 14525,553 2.262,554 41.5,555 4,556 9,558 1,559 2,561 1,564 1.675,565 2.182,566 3.104,567 0.255,569 1,571 1,573 57.853,574 1.411,575 3.551,576 4.323,577 4.754,578 4.87,579 4.967,580 2.507,581 4.502,582 4.556,583 3.222,584 889.227,585 7.893,586 10024.7,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.143,595 0.002,596 0.072,597 0.042,598 0.042,599 0.018,600 0.015,601 0.013,602 0.006,603 0.008,604 0.361,605 0.33,606 0.75,607 0.382,608 111.396,609 0.06,610 0.028,611 0.066,612 0.046,613 -0.058,614 0.055,615 0.173,616 0.034,617 0.013,618 -0.032,619 0.167,620 -0.029,621 0.067,622 -0.14,623 0.116,624 -0.012,625 0.106,626 0.045,627 0.179,628 0.12,629 0.024,630 0.024,631 0.124,632 0.009,633 -0.255,634 -0.035,635 -0.139,636 -0.039,637 -0.133,638 -0.068,639 -0.316,640 -0.029,641 -0.246,642 -0.099,643 -0.324,644 -0.152,645 -0.075,646 -0.189,647 -0.062,648 -0.13,649 -0.071,650 -0.101,651 -0.232,652 -0.032,653 -0.222,654 -0.111,655 -0.194,656 -0.155,657 1.176,658 2.162,659 0.917,660 18.319,661 0.995,662 1.122,663 4.46,664 19.892,665 0.697,666 3.367,667 3.738,668 4.043,669 4.382,670 4.673,671 4.804,672 5.004,673 5.182,674 5.257,675 5.257,676 5.218,677 0.665,678 315.41,679 3.367,680 4.934,681 5.826,682 6.737,683 7.645,684 8.563,685 9.478,686 10.399,687 11.319,688 12.241,689 12.2,693 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 41,733 21,734 2,735 28,737 45,738 19,739 15,740 3,741 7,746 5,747 7,755 2,756 1,758 2,761 15,762 4,763 1,777 1,778 1,781 17,782 4,783 2,784 5,790 5,794 0.6,803 1,806 1,809 1,811 1,812 3,815 1,816 1,840 3,848 24,849 1,854 3,858 1,877 11,878 7.383,879 5.083,880 2.564,881 4.289,882 1.558,883 1.083,884 2.99,885 11.969,886 3.676,887 4.379,888 5.074,889 5.776,890 6.402,891 6.826,892 7.351,893 7.879,894 8.302,895 8.629,896 0.833,897 40,898 8.851,900 3.91,901 7.521,902 17.334,904 15.153,905 2.021,906 48.5,909 1,910 176.567,911 99.832,912 84.908,917 99.832,918 176.567,919 84.908,921 7.175,922 99.231,923 63.72,924 24.056,925 2.328,926 164.795,928 176.567,929 184.739,933 164.795,934 11.771,937 22.042,938 112.463,939 50.234,941 176.567,942 84.908,943 99.832,946 176.567,947 24.879,948 76.729,950 83.131,951 176.567,952 84.908,953 99.832,955 0.59,956 0.338,957 0.194,958 0.11,959 24,960 9,961 0.067,962 3,963 2,964 1.182,965 3.701,966 215.723,967 0.182,968 22,969 106.039,974 13.795,975 5.201,976 2.425,977 4.091,978 83.131,979 16.218,980 13.459,984 2.412,985 1.996,986 32.897,987 361.306,988 38.5,999 40.811,1000 45.983,1001 0.263,1002 0.663,1003 0.807,1004 0.887,1005 0.909,1006 0.927,1007 4.922,1008 1.388,1009 5.82,1010 4.131,1011 4.419,1012 5.066,1014 6.686,1015 4.366,1016 6.169,1017 1.336,1018 7.408,1019 3.946,1020 4.111,1021 4.997,1023 7.714,1024 4.043,1025 7.507,1026 1.018,1027 9.098,1028 2.994,1029 6.075,1030 7.416,1032 10.833,1033 5.977,1034 8.884,1035 0.646,1036 10.848,1037 2.525,1038 6.567,1039 8.203,1041 12.696,1042 6.45,1043 10.295,1044 0.236,1045 12.637,1046 1.525,1047 8.032,1048 10.096,1050 15.362,1051 7.888,1052 11.73,1053 -0.273,1054 14.454,1055 0.62,1056 8.889,1057 11.292,1059 17.577,1060 8.72,1061 13.187,1062 -0.413,1063 16.29,1064 -0.644,1065 10.162,1066 12.968,1068 20.102,1069 9.965,1070 3.32,1071 -0.618,1072 18.143,1073 -1.032,1074 11.191,1075 14.353,1077 22.468,1078 10.963,1079 2.909,1080 11.967,1081 20.009,1082 -1.598,1083 12.392,1084 15.942,1086 24.952,1087 12.136,1088 2.686,1089 9.322,1090 21.885,1091 4.729,1092 13.501,1093 17.411,1095 27.382,1096 13.21,1097 2.391,1098 8.309,1099 23.771,1100 4.323,1101 14.681,1102 18.966,1104 29.857,1105 14.358,1106 2.233,1107 7.578,1108 25.664,1109 3.283,1110 15.828,1111 20.473,1113 32.315,1114 15.47,1115 1.618,1116 6.751,1117 27.565,1118 3.14,1119 17.005,1120 22.015,1122 34.79,1123 16.612,1124 1.58,1125 4.493,1126 29.471,1127 2.6,1128 18.172,1129 23.539,1131 37.26,1132 17.742,1133 5954,1134 8984,1135 19.592,1136 28.597,1137 43.023,1138 42.728,1139 43.835,1140 42.745,1141 42.724,1142 58.808,1144 128.319,1145 41.533,1146 5.666,1147 5.349,1148 6.691,1149 5.361,1150 5.32,1151 7.729,1153 19.36,1154 5.212,1155 5.88,1156 1.537,1157 1.526,1158 1.566,1159 1.527,1160 1.526,1161 2.1,1163 4.583,1164 1.483,1165 4.167,1166 4.208,1167 4.141,1168 4.083,1169 5.257,1170 4.087,1171 4.011,1172 4.045,1173 3.966,1174 3.9,1175 4.923,1176 3.915,1177 3.851,1178 3.903,1179 3.733,1180 3.747,1181 4.823,1182 3.739,1183 3.468,1184 3.516,1185 3.392,1186 3.376,1187 4.513,1188 3.372,1189 3.291,1190 3.382,1191 3.211,1192 3.019,1193 4.295,1194 3.054,1195 3.059,1196 3.123,1197 2.951,1198 2.949,1199 4.189,1200 2.945,1201 2.975,1202 3.067,1203 2.862,1204 2.768,1205 3.852,1206 2.78,1207 2.794,1208 2.89,1209 2.61,1210 2.557,1211 3.686,1212 2.563,1213 0.17,1214 0.12,1215 0.25,1216 0.153,1217 0.119,1218 4.75,1219 0.169,1220 3.349,1222 7.004,1223 0.427,1224 4.287,1225 0.115,1226 3.32,1227 4.729,1229 11.967,1230 3.212,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.296,1236 2.141,1237 1.817,1238 1.779,1239 1.873,1240 2.002,1241 1.124,1242 1.966,1243 1.575,1244 1.521,1245 1.732,1246 1.778,1247 0.922,1248 1.761,1249 1.417,1250 1.361,1251 1.608,1252 1.567,1253 0.825,1254 1.586,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.67,1260 1.429,1261 1.103,1262 1.053,1263 1.301,1264 1.308,1265 0.385,1266 1.304,1267 0.998,1268 0.934,1269 1.216,1270 1.222,1271 0.327,1272 1.24,1273 0.835,1274 0.758,1275 1.094,1276 1.133,1277 0.131,1278 1.133,1279 4.043,1280 1.946,1281 5.398,1282 3.932,1283 6.959,1284 5.861,1285 8.613,1286 7.776,1287 10.313,1293 6.162,1295 3.445,1299 0.716,1305 27.268,1306 57.853,1307 145.602,1308 177.253,1309 194.905,1310 199.66,1311 203.66,1312 26.894,1313 7.68,1314 69.62,1315 69.62,1316 26,1317 12.749,1318 4.459,1319 3.524,1320 30.131,1321 73,1322 74,1323 0.201,1324 163.683,1325 263.1,1326 391.146,1327 21515,1329 16.096,1330 0.671,1331 0.549,1332 16.096,1333 13.184,1334 11.793,1335 0.421,1336 0.295,1337 8.175,1338 11.474,1339 8.022,1340 6.615,1341 11.793,1342 8.256,1343 10.866,1344 0.265,1345 0.158,1346 10.866,1347 6.494,1348 9.253,1349 0.165,1350 0.079,1351 9.253,1352 4.421,1353 8.194,1354 0.104,1355 0.04,1356 8.194,1357 3.124,1358 7.061,1359 0.067,1360 0.021,1361 7.061,1362 2.235,1363 0.303,1364 72.937,1365 0.226,1366 22.924,1367 0.589,1368 138,1369 329.893,1370 147.103,1371 332.494,1372 479.31,1373 314,1374 169,1375 379.941,1376 179.63,1377 387.831,1378 574.78,1379 367,1380 5.301}
{0 CHEMBL1242474,1 1.387,2 9.2,3 4.189,4 17.545,5 102.269,6 7.206,7 0.75,8 3.926,9 4.061,10 3.481,11 3.5,12 5.009,13 3.467,14 4.445,15 4.632,16 3.846,17 3.902,18 5.45,19 3.848,20 4.682,21 4.9,22 3.902,23 4.03,24 5.641,25 3.949,26 4.777,27 5.036,28 3.862,29 3.996,30 5.723,31 3.898,32 4.673,33 4.928,34 3.764,35 3.907,36 5.596,37 3.824,38 4.577,39 4.795,40 3.744,41 3.889,42 5.602,43 3.813,44 4.636,45 4.881,46 3.639,47 3.889,48 5.564,49 3.776,50 4.554,51 4.8,52 3.489,53 3.789,54 5.492,55 3.654,56 0.068,57 0.718,58 9.68,59 3.973,60 10.393,61 5.529,62 0.172,63 1.151,64 17.511,65 6.815,66 18.293,67 9.674,68 0.164,69 1.39,70 23.085,71 8.578,72 23.146,73 12.481,74 0.325,75 1.476,76 26.847,77 9.209,78 36.941,79 13.648,80 0.247,81 1.341,82 24.139,83 7.436,84 28.317,85 11.284,86 0.212,87 1.273,88 20.952,89 6.586,90 30.105,91 9.82,92 0.206,93 1.276,94 22.869,95 7.747,96 29.751,97 11.494,98 0.142,99 1.15,100 20.969,101 7.676,102 27.138,103 11.29,104 13,105 40,106 0.235,107 0.596,108 0.746,109 0.811,110 0.828,111 0.843,112 3.268,113 0.921,114 -5.92,115 -5.77,116 -5.37,119 43.5,120 2,121 1,122 1,125 1,142 7,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 14,174 2,175 6,177 1,178 1,180 1,183 18,185 1,186 1,187 5,195 14,198 2,199 10,201 3,202 3,204 1,207 9,209 1,212 11,217 2,220 6,222 2,224 11,229 3,232 7,234 3,237 8,242 3,245 7,247 3,250 7,255 4,258 8,260 4,263 2,268 1,271 8,273 1,275 914,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 14.601,282 7.906,283 10.01,284 17.246,285 13.847,286 13.847,287 13.847,288 13.847,289 13.847,290 10.216,291 5,292 4.768,293 14.248,294 4.137,295 2.01,296 1.129,297 0.745,298 0.642,299 0.555,300 3.967,304 1,305 1,306 501,307 3,310 46.838,311 170.293,314 89.774,315 93.869,318 1.36,319 15.383,321 1,322 0.75,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.84,330 52.5,331 230,332 4.748,333 3.343,334 7.002,335 4.282,336 3.316,337 4.728,339 11.958,340 3.208,341 4.393,342 2.911,343 6.217,344 3.9,345 2.906,346 4.323,348 9.315,349 2.886,350 3.8,351 2.507,352 5.913,353 3.407,354 2.437,355 3.28,357 8.151,358 2.365,359 3.693,360 2.397,361 5.587,362 3.307,363 2.346,364 3.121,366 7.131,367 2.263,368 3.197,369 2.152,370 4.686,371 3.113,372 2.136,373 2.427,375 5.161,376 2.072,377 3.118,378 1.618,379 4.533,380 2.618,381 1.618,382 2.368,384 4.492,385 1.618,386 3.079,387 1.581,388 4.423,389 2.54,390 1.58,391 2.217,393 4.134,394 1.518,395 2.865,396 1.517,397 4.367,398 2.37,399 1.417,400 2.042,402 3.965,403 1.348,404 2.75,405 1.363,406 3.691,407 2.324,408 1.356,409 1.836,411 2.994,412 1.306,413 2.479,414 1.039,415 3.594,416 1.969,417 1.025,418 1.47,420 2.537,421 0.965,422 2.14,423 0.653,424 3.163,425 1.646,426 0.651,427 0.964,428 1.531,429 0.647,430 1.61,431 0.494,432 2.97,433 1.452,434 0.468,435 0.522,436 1.078,437 0.46,438 1.084,439 -0.138,440 2.682,441 0.668,442 -0.266,443 -0.337,445 -0.628,446 -0.246,447 1.03,448 -0.403,449 2.415,450 0.561,451 -0.41,452 -0.574,454 -1.028,455 -0.401,456 0.882,457 -0.618,458 2.257,459 0.382,460 -0.618,461 -0.875,463 -1.598,464 -0.618,465 12,466 0.48,467 0.627,468 0.025,469 34.5,470 1.38,471 18.5,472 0.74,473 16,474 0.64,475 19.726,476 0.789,477 25.8,478 0.561,479 23.642,480 0.946,481 6.422,482 0.257,483 5.709,484 0.228,485 0.117,487 0.367,493 0.857,494 1.168,495 0.817,496 0.993,497 1.066,498 0.917,499 0.756,500 0.998,501 0.798,502 0.919,503 0.594,504 0.873,505 0.904,506 1.171,507 0.906,508 1.049,509 0.788,510 0.991,511 0.857,512 0.948,513 0.869,514 0.916,515 0.816,516 0.898,517 1.515,518 0.979,519 0.994,520 0.814,521 0.962,522 0.841,523 1.68,524 1.145,525 1.204,526 1.016,527 1.63,528 1.05,529 1.326,530 1.05,531 1.141,532 1.031,533 1.34,534 1.059,535 0.99,536 1.207,537 1.126,538 1.214,539 0.995,540 1.19,541 4.5,542 0.078,543 2.889,544 1.792,545 1.744,546 0.74,547 0.617,548 0.524,549 0.187,550 0.119,551 6729,552 14762,553 2.13,554 45.7,555 7,556 9,558 1,559 2,561 2,564 1.686,565 2,566 3.179,567 0.233,569 1,573 63.797,574 1.387,575 3.514,576 4.395,577 4.779,578 4.882,579 4.969,580 2.668,581 4.404,582 4.611,583 3.318,584 995.367,585 8.008,586 11667.7,588 1,590 1,591 254.084,592 1.388,593 4.579,594 0.161,595 0.01,596 0.072,597 0.044,598 0.046,599 0.021,600 0.018,601 0.017,602 0.007,603 0.009,604 0.405,605 0.17,606 0.88,607 1.11,608 118.396,609 0.084,610 -0.006,611 0.06,612 0.017,613 -0.11,614 0.033,615 0.219,616 0.092,617 0.125,618 0.076,619 0.205,620 0.088,621 0.052,622 -0.142,623 0.041,624 -0.061,625 0.066,626 -0.02,627 0.27,628 0.049,629 0.127,630 0.038,631 0.194,632 0.062,633 -0.214,634 0.06,635 0.01,636 0.11,637 0.003,638 0.089,639 -0.337,640 -0.039,641 -0.233,642 -0.095,643 -0.303,644 -0.142,645 -0.222,646 -0.033,647 -0.164,648 -0.074,649 -0.209,650 -0.106,651 -0.083,652 -0.236,653 -0.162,654 -0.228,655 0.049,656 -0.208,657 1.191,658 2.172,659 0.76,660 21.062,661 0.991,662 1.126,663 4.688,664 21.973,665 0.677,666 3.367,667 3.714,668 4.025,669 4.357,670 4.644,671 4.762,672 4.942,673 5.13,674 5.204,675 5.198,676 5.526,677 0.637,678 331.46,679 3.367,680 4.92,681 5.79,682 6.691,683 7.587,684 8.498,685 9.406,686 10.322,687 11.237,688 12.156,689 10.9,693 1,697 1,699 3,703 4,704 8,705 3,709 3,710 1,711 21,722 1,731 46,733 21,734 2,735 28,737 49,738 20,739 15,740 3,741 7,746 4,747 6,752 2,758 1,761 15,762 5,763 1,778 1,781 21,782 4,783 2,784 5,790 5,794 0.5,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 25,849 1,854 2,858 1,877 12.5,878 8.883,879 5.417,880 2.897,881 4.295,882 1.564,883 1.021,884 4.043,885 11.914,886 3.676,887 4.366,888 5.068,889 5.766,890 6.391,891 6.809,892 7.326,893 7.858,894 8.28,895 8.604,896 1,897 41,898 9.207,900 3.908,901 7.54,902 17.931,904 14.964,905 2.04,906 51,909 1,910 223.651,911 114.947,912 84.908,917 114.947,918 223.651,919 84.908,920 17.65,921 4.64,922 99.231,923 63.72,924 24.056,925 2.328,926 211.88,928 223.651,929 199.855,933 200.109,934 23.542,937 37.158,938 112.463,939 50.234,941 223.651,942 84.908,943 114.947,946 223.651,947 22.345,948 94.379,950 83.131,951 223.651,952 84.908,953 114.947,955 0.583,956 0.337,957 0.191,958 0.114,959 21,960 9,961 0.082,962 4,963 2,964 1.211,965 3.654,966 218.741,967 0.211,968 19,969 114.096,974 15.891,975 6.361,976 2.93,977 4.025,978 83.131,979 16.165,980 13.449,984 2.361,985 1.956,986 32.897,987 423.506,988 38.5,999 45.578,1000 51.813,1001 0.251,1002 0.636,1003 0.796,1004 0.865,1005 0.884,1006 0.9,1007 4.907,1008 1.417,1009 5.784,1010 4.134,1011 4.394,1012 5.053,1014 6.635,1015 4.34,1016 6.144,1017 1.356,1018 7.362,1019 3.965,1020 4.007,1021 4.956,1023 7.621,1024 3.931,1025 7.473,1026 1.025,1027 9.044,1028 2.994,1029 6.014,1030 7.4,1032 10.772,1033 5.91,1034 8.845,1035 0.651,1036 10.79,1037 2.537,1038 6.463,1039 8.184,1041 12.638,1042 6.334,1043 10.253,1044 0.468,1045 12.577,1046 1.531,1047 7.95,1048 10.086,1050 15.317,1051 7.796,1052 11.689,1053 -0.266,1054 14.394,1055 1.078,1056 8.794,1057 11.283,1059 17.543,1060 8.611,1061 13.148,1062 -0.41,1063 16.234,1064 -0.628,1065 10.078,1066 12.963,1068 20.073,1069 9.869,1070 3.316,1071 -0.618,1072 18.091,1073 -1.028,1074 11.108,1075 14.349,1077 22.446,1078 10.866,1079 2.906,1080 11.958,1081 19.961,1082 -1.598,1083 12.318,1084 15.939,1086 24.933,1087 12.047,1088 2.437,1089 9.315,1090 21.842,1091 4.728,1092 13.431,1093 17.409,1095 27.366,1096 13.127,1097 2.346,1098 8.151,1099 23.733,1100 4.323,1101 14.617,1102 18.964,1104 29.842,1105 14.282,1106 2.136,1107 7.131,1108 25.631,1109 3.28,1110 15.77,1111 20.471,1113 32.301,1114 15.399,1115 1.618,1116 5.161,1117 27.535,1118 3.121,1119 16.951,1120 22.014,1122 34.777,1123 16.548,1124 1.58,1125 4.492,1126 29.445,1127 2.427,1128 18.122,1129 23.538,1131 37.247,1132 17.683,1133 6441,1134 9706,1135 18.898,1136 31.12,1137 42.743,1138 42.467,1139 43.719,1140 42.539,1141 42.507,1142 58.599,1144 124.894,1145 41.311,1146 5.581,1147 5.343,1148 6.689,1149 5.355,1150 5.316,1151 7.728,1153 19.333,1154 5.208,1155 11.072,1156 1.527,1157 1.517,1158 1.561,1159 1.519,1160 1.518,1161 2.093,1163 4.461,1164 1.475,1165 4.161,1166 4.2,1167 4.136,1168 4.081,1169 5.257,1170 4.085,1171 4.001,1172 4.036,1173 3.962,1174 3.878,1175 4.923,1176 3.9,1177 3.712,1178 3.778,1179 3.555,1180 3.589,1181 4.823,1182 3.571,1183 3.468,1184 3.518,1185 3.392,1186 3.376,1187 4.511,1188 3.372,1189 3.345,1190 3.434,1191 3.235,1192 3.092,1193 4.278,1194 3.112,1195 3.078,1196 3.139,1197 2.964,1198 2.975,1199 4.201,1200 2.964,1201 2.979,1202 3.09,1203 2.865,1204 2.825,1205 3.856,1206 2.827,1207 2.964,1208 3.047,1209 2.762,1210 2.641,1211 3.698,1212 2.668,1213 0.17,1214 0.119,1215 0.25,1216 0.153,1217 0.118,1218 4.748,1219 0.169,1220 3.343,1222 7.002,1223 0.427,1224 4.282,1225 0.115,1226 3.316,1227 4.728,1229 11.958,1230 3.208,1231 2.08,1232 2.062,1233 2.159,1234 2.131,1235 1.316,1236 2.141,1237 1.834,1238 1.79,1239 2.019,1240 2.023,1241 1.296,1242 2.007,1243 1.738,1244 1.683,1245 1.851,1246 1.901,1247 0.969,1248 1.908,1249 1.518,1250 1.47,1251 1.679,1252 1.701,1253 0.824,1254 1.694,1255 1.326,1256 1.247,1257 1.577,1258 1.539,1259 0.649,1260 1.557,1261 1.086,1262 1.035,1263 1.417,1264 1.273,1265 0.469,1266 1.308,1267 0.964,1268 0.897,1269 1.299,1270 1.239,1271 0.369,1272 1.279,1273 0.934,1274 0.804,1275 1.203,1276 1.222,1277 0.229,1278 1.239,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.844,1285 8.555,1286 7.066,1287 10.245,1289 4.415,1293 6.172,1295 1.857,1299 0.6,1305 29.321,1306 63.797,1307 161.624,1308 202.168,1309 219.819,1310 224.574,1311 228.574,1312 31.954,1313 7.619,1314 69.62,1315 69.62,1316 23,1317 12.666,1318 4.459,1319 3.524,1320 35.692,1321 80,1322 85,1323 0.218,1324 180.669,1325 292.76,1326 432.591,1327 20016,1329 17.389,1330 0.696,1331 0.579,1332 17.389,1333 14.477,1334 12.131,1335 0.433,1336 0.307,1337 8.513,1338 11.809,1339 8.239,1340 6.917,1341 12.131,1342 8.594,1343 11.158,1344 0.279,1345 0.169,1346 11.158,1347 6.774,1348 9.324,1349 0.17,1350 0.082,1351 9.324,1352 4.5,1353 8.138,1354 0.106,1355 0.04,1356 8.138,1357 3.105,1358 7.056,1359 0.069,1360 0.022,1361 7.056,1362 2.242,1363 0.331,1364 74.966,1365 0.23,1366 23.813,1367 0.634,1368 136,1369 327.893,1370 145.103,1371 331.382,1372 474.49,1373 312,1374 163,1375 373.941,1376 173.463,1377 382.791,1378 563.93,1379 361,1380 4.538}
{0 CHEMBL1242475,1 1.489,2 7.958,3 2.746,4 7.539,5 93.824,6 7.79,7 0.714,8 3.866,9 4.004,10 3.492,11 3.404,12 4.966,13 3.402,14 4.405,15 4.58,16 3.884,17 3.845,18 5.429,19 3.819,20 4.641,21 4.872,22 3.874,23 3.909,24 5.589,25 3.85,26 4.635,27 4.885,28 3.874,29 3.859,30 5.658,31 3.814,32 4.511,33 4.726,34 3.759,35 3.83,36 5.506,37 3.778,38 4.498,39 4.699,40 3.751,41 3.834,42 5.538,43 3.771,44 4.587,45 4.831,46 3.614,47 3.787,48 5.545,49 3.683,50 4.527,51 4.825,52 3.26,53 3.571,54 5.415,55 3.405,56 0.086,57 0.723,58 7.985,59 3.216,60 9.569,61 4.324,62 0.154,63 1.169,64 15.04,65 5.759,66 16.109,67 8.008,68 0.194,69 1.331,70 21.634,71 7.235,72 22.234,73 10.687,74 0.374,75 1.312,76 22.52,77 6.586,78 34.743,79 9.862,80 0.219,81 1.202,82 18.277,83 5.757,84 24.244,85 8.338,86 0.206,87 1.201,88 17.375,89 6.05,90 25.023,91 8.572,92 0.235,93 1.2,94 20.917,95 6.977,96 28.778,97 10.276,98 0.366,99 1.004,100 22.221,101 7.142,102 40.257,103 10.767,104 2,105 41,106 0.257,107 0.658,108 0.78,109 0.834,110 0.834,111 0.834,112 3.231,113 0.882,114 -4.58,115 -4.5,116 -4.23,119 41.5,121 4,127 1,142 3,143 3,145 1,146 1,147 1,148 1,152 1,161 1,163 1,164 1,165 1,166 1,168 1,172 7,174 2,175 8,177 1,178 1,180 3,183 8,185 1,186 1,187 9,192 2,195 4,198 2,199 12,201 3,202 3,204 2,207 4,209 1,212 8,217 2,220 4,222 2,223 1,224 7,227 1,229 5,232 6,234 4,236 1,237 2,240 1,242 2,245 8,247 2,249 2,252 1,253 3,254 1,257 1,258 4,263 2,268 2,275 760,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.548,282 9.487,283 9.779,284 17.101,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.422,291 7.5,292 4.637,293 14.365,294 3.869,295 1.552,296 0.848,297 0.537,298 0.537,299 0.537,300 3.945,303 1,304 1,305 1,306 437,307 2.121,310 139.283,311 102.98,314 160.199,318 1.135,319 16.919,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 191,332 4.766,333 3.389,334 7.051,335 4.312,336 3.349,337 4.738,339 12.147,340 3.23,341 4.415,342 2.95,343 6.293,344 3.916,345 2.936,346 4.353,348 9.503,349 2.875,350 3.904,351 2.766,352 6.145,353 3.645,354 2.677,355 3.312,357 8.961,358 2.59,359 3.761,360 2.405,361 5.751,362 3.345,363 2.38,364 3.198,366 7.634,367 2.297,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.366,375 5.69,376 1.899,377 3.051,378 1.552,379 4.519,380 2.519,381 1.552,382 2.322,384 4.384,385 1.508,386 3.033,387 1.533,388 4.333,389 2.491,390 1.533,391 2.3,393 4.052,394 1.455,395 2.654,396 1.41,397 4.234,398 2.309,399 1.345,400 1.72,402 3.529,403 1.292,404 2.601,405 1.154,406 3.672,407 2.1,408 1.151,409 1.636,411 2.661,412 1.09,413 2.411,414 0.973,415 3.431,416 1.921,417 0.966,418 1.376,420 2.308,421 0.92,422 1.911,423 0.702,424 3.248,425 1.661,426 0.683,427 0.792,428 1.74,429 0.667,430 1.837,431 0.618,432 3.036,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.4,440 3,441 1.363,442 0.395,443 0.584,445 0.983,446 0.382,447 1.061,448 -0.153,449 2.652,450 0.63,451 -0.286,452 -0.364,454 -0.672,455 -0.261,456 0.846,457 -0.589,458 2.461,459 0.388,460 -0.59,461 -0.817,463 -1.644,464 -0.575,465 11.3,466 0.471,467 0.534,468 0.022,469 33,470 1.375,471 16.5,472 0.688,473 16.5,474 0.688,475 18.386,476 0.766,477 24.7,478 0.602,479 21.618,480 0.901,481 6.026,482 0.251,483 5.783,484 0.241,485 0.035,487 0.389,493 0.839,494 1.147,495 0.735,496 0.941,497 0.91,498 0.842,499 0.795,500 1.154,501 0.803,502 1.024,503 0.612,504 0.934,505 0.927,506 1.211,507 0.881,508 1.064,509 0.666,510 0.982,511 1.079,512 0.85,513 0.862,514 0.751,515 0.958,516 0.768,517 1.355,518 1.074,519 1.118,520 0.977,521 1.173,522 1.004,523 1.119,524 1.161,525 1.17,526 1.189,527 1.335,528 1.188,529 0.983,530 1.148,531 1.153,532 1.232,533 1.357,534 1.222,535 0.684,536 0.714,537 1.053,538 1.019,539 1.027,540 1.082,541 3.5,543 2.889,544 1.764,545 1.522,546 0.716,547 0.469,548 0.348,549 0.148,550 0.047,551 6351,552 15055,553 2.262,554 41.5,555 4,556 4,558 2,559 3,561 4,564 1.676,565 2.182,566 3.02,567 1.039,568 1,569 1,571 1,573 61.034,574 1.489,575 3.805,576 4.51,577 4.821,578 4.821,579 4.821,580 2.44,581 4.22,582 4.558,583 3.145,584 868.043,585 7.902,586 9735.16,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.125,596 0.07,597 0.045,598 0.039,599 0.02,600 0.014,601 0.012,602 0.008,603 0.005,604 0.339,605 0.33,606 0.88,607 0.382,608 110.695,609 0.07,610 0.047,611 0.066,612 0.052,614 0.057,615 0.093,616 -0.046,617 0.056,618 -0.025,619 0.153,620 0.003,621 -0.003,622 -0.224,623 0.072,624 -0.075,625 0.144,626 -0.004,627 0.056,628 0.154,629 0.134,630 0.183,631 0.104,632 0.173,633 -0.321,634 -0.014,635 -0.195,636 -0.023,637 -0.208,638 -0.078,639 -0.155,640 -0.091,641 -0.275,642 -0.219,643 -0.218,644 -0.258,645 -0.052,646 -0.184,647 -0.186,648 -0.249,649 -0.212,650 -0.241,651 0.248,652 0.138,653 0.006,654 -0.028,655 0.091,656 -0.046,657 1.188,658 2.176,659 0.958,660 17.167,661 1.003,662 1.136,663 3.347,664 11.2,665 0.679,666 3.367,667 3.738,668 4.111,669 4.466,670 4.682,671 4.883,672 5.081,673 5.268,674 5.328,675 5.384,676 5.036,677 0.653,678 319.41,679 3.367,680 4.934,681 5.832,682 6.746,683 7.662,684 8.584,685 9.507,686 10.433,687 11.359,688 12.288,689 17.1,693 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,722 1,731 41,733 20,734 1,735 28,737 45,738 17,739 12,740 3,741 3,746 5,747 7,755 5,758 5,761 12,762 5,777 1,778 1,781 17,782 5,783 3,784 7,790 7,794 0.6,803 2,806 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,877 11,878 7.333,879 5.111,880 2.626,881 3.983,882 1.515,883 1.079,884 3.068,885 11.719,886 3.664,887 4.363,888 5.091,889 5.796,890 6.355,891 6.837,892 7.362,893 7.89,894 8.22,895 8.651,896 1,897 39,898 8.845,900 3.915,901 7.563,902 17.239,904 15.03,905 2.063,906 49.5,909 1,910 164.795,911 73.509,912 118.234,917 73.509,918 164.795,919 118.234,921 10.138,922 61.326,923 92.155,924 47.194,925 4.472,926 141.253,928 164.795,929 191.742,933 117.711,934 47.084,937 50.716,938 74.129,939 66.897,941 164.795,942 118.234,943 73.509,946 164.795,947 27.414,948 47.871,949 16.663,950 99.794,951 164.795,952 118.234,953 73.509,955 0.589,956 0.362,957 0.212,958 0.108,959 24,960 9,961 0.044,962 2,963 2,964 1.174,965 3.633,966 219.375,967 0.174,968 23,969 106.039,974 13.937,975 5.283,976 2.139,977 3.72,978 99.794,979 9.459,980 17.638,981 2.972,984 2.33,985 2.051,986 49.56,987 356.538,988 38,999 41.131,1000 46.564,1001 0.278,1002 0.71,1003 0.842,1004 0.9,1005 0.9,1006 0.9,1007 4.913,1008 1.345,1009 5.826,1010 4.052,1011 4.419,1012 5.05,1014 6.706,1015 4.351,1016 6.145,1017 1.151,1018 7.419,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.908,1025 7.481,1026 0.966,1027 9.116,1028 2.661,1029 6.066,1030 7.401,1032 10.895,1033 5.935,1034 8.863,1035 0.683,1036 10.877,1037 2.308,1038 6.553,1039 8.224,1041 12.785,1042 6.39,1043 10.282,1044 0.618,1045 12.678,1046 1.74,1047 8.038,1048 10.1,1050 15.47,1051 7.844,1052 11.728,1053 0.395,1054 14.509,1055 1.372,1056 8.916,1057 11.326,1059 17.706,1060 8.689,1061 13.194,1062 -0.286,1063 16.359,1064 0.983,1065 10.195,1066 12.989,1068 20.243,1069 9.935,1070 3.349,1071 -0.59,1072 18.225,1073 -0.672,1074 11.245,1075 14.392,1077 22.624,1078 10.95,1079 2.936,1080 12.147,1081 20.102,1082 -1.644,1083 12.454,1084 15.973,1086 25.12,1087 12.125,1088 2.677,1089 9.503,1090 21.99,1091 4.738,1092 13.579,1093 17.452,1095 27.562,1096 13.214,1097 2.38,1098 8.961,1099 23.885,1100 4.353,1101 14.768,1102 19.004,1104 30.05,1105 14.367,1106 1.996,1107 7.634,1108 25.787,1109 3.312,1110 15.928,1111 20.516,1113 32.52,1114 15.49,1115 1.552,1116 5.69,1117 27.695,1118 3.198,1119 17.114,1120 22.058,1122 35.008,1123 16.64,1124 1.533,1125 4.384,1126 29.608,1127 2.366,1128 18.292,1129 23.586,1131 37.491,1132 17.78,1133 5770,1134 9038,1135 19.592,1136 27.847,1137 43.113,1138 43.039,1139 43.439,1140 43.228,1141 43.162,1142 58.631,1144 129.925,1145 41.644,1146 5.668,1147 5.389,1148 6.646,1149 5.388,1150 5.349,1151 7.738,1153 19.687,1154 5.23,1155 5.845,1156 1.54,1157 1.537,1158 1.551,1159 1.544,1160 1.541,1161 2.094,1163 4.64,1164 1.487,1165 4.175,1166 4.219,1167 4.15,1168 4.055,1169 5.259,1170 4.071,1171 4.02,1172 4.072,1173 3.986,1174 3.87,1175 5.087,1176 3.892,1177 3.793,1178 3.851,1179 3.667,1180 3.674,1181 4.856,1182 3.667,1183 3.392,1184 3.463,1185 3.337,1186 3.195,1187 4.531,1188 3.221,1189 3.216,1190 3.307,1191 3.132,1192 2.951,1193 4.316,1194 2.984,1195 2.997,1196 3.091,1197 2.887,1198 2.829,1199 4.142,1200 2.832,1201 2.914,1202 2.997,1203 2.785,1204 2.671,1205 3.77,1206 2.691,1207 2.869,1208 2.979,1209 2.583,1210 2.669,1211 3.666,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.766,1219 0.169,1220 3.389,1222 7.051,1223 0.434,1224 4.312,1225 0.115,1226 3.349,1227 4.738,1229 12.147,1230 3.23,1231 1.966,1232 1.946,1233 2.035,1234 2.049,1235 1.244,1236 2.042,1237 1.802,1238 1.757,1239 1.894,1240 1.991,1241 1.211,1242 1.964,1243 1.596,1244 1.538,1245 1.86,1246 1.793,1247 1.187,1248 1.793,1249 1.577,1250 1.507,1251 1.756,1252 1.751,1253 0.874,1254 1.785,1255 1.311,1256 1.23,1257 1.465,1258 1.637,1259 0.409,1260 1.591,1261 1.181,1262 1.13,1263 1.288,1264 1.391,1265 0.363,1266 1.371,1267 0.916,1268 0.823,1269 1.179,1270 1.244,1271 0.124,1272 1.236,1273 0.785,1274 0.71,1275 1.049,1276 1.092,1277 0.094,1278 1.086,1279 4.043,1281 5.398,1282 3.434,1283 6.948,1284 5.733,1285 8.592,1286 7.803,1287 10.289,1293 6.176,1295 4.758,1299 0.396,1305 26.784,1306 61.034,1307 156.011,1308 184.905,1309 197.66,1310 197.66,1311 197.66,1312 27.989,1313 7.736,1314 98.3,1315 98.3,1316 27,1317 12.792,1318 4.392,1319 3.459,1320 30.081,1321 71,1322 66,1323 0.208,1324 161.014,1325 253.14,1326 384.635,1327 22600,1329 16.096,1330 0.671,1331 0.546,1332 16.096,1333 13.106,1334 11.81,1335 0.422,1336 0.294,1337 8.122,1338 11.355,1339 8.01,1340 6.598,1341 11.81,1342 8.233,1343 10.782,1344 0.263,1345 0.155,1346 10.782,1347 6.361,1348 9.878,1349 0.165,1350 0.082,1351 9.878,1352 4.902,1353 8.93,1354 0.104,1355 0.043,1356 8.93,1357 3.691,1358 6.856,1359 0.064,1360 0.02,1361 6.856,1362 2.163,1363 0.312,1364 73.955,1365 0.226,1366 22.753,1367 0.622,1368 138,1369 353.871,1370 150.545,1371 352.095,1372 505.89,1373 332,1374 170,1375 404.392,1376 184.543,1377 408.244,1378 604.86,1379 386,1380 6.68}
{0 CHEMBL1242476,1 1.526,2 8.043,3 1.585,4 2.512,5 90.282,6 7.907,7 0.769,8 3.813,9 3.963,10 3.433,11 3.297,12 5.005,13 3.31,14 4.297,15 4.482,16 3.836,17 3.702,18 5.422,19 3.702,20 4.48,21 4.684,22 3.886,23 3.802,24 5.616,25 3.789,26 4.593,27 4.828,28 3.843,29 3.824,30 5.706,31 3.781,32 4.499,33 4.73,34 3.644,35 3.746,36 5.527,37 3.678,38 4.41,39 4.627,40 3.62,41 3.676,42 5.497,43 3.61,44 4.477,45 4.746,46 3.423,47 3.576,48 5.526,49 3.468,50 4.327,51 4.643,52 3.168,53 3.294,54 5.231,55 3.163,56 0.119,57 0.693,58 7.56,59 2.701,60 12.564,61 3.759,62 0.204,63 1.063,64 13.617,65 4.756,66 18.867,67 6.859,68 0.254,69 1.208,70 17.012,71 5.114,72 23.258,73 7.69,74 0.381,75 1.247,76 20.543,77 5.976,78 37.015,79 9.08,80 0.295,81 1.115,82 18.469,83 5.548,84 29.305,85 8.353,86 0.208,87 1.045,88 16.245,89 5.49,90 23.469,91 8.146,92 0.371,93 0.975,94 19.686,95 5.723,96 43.663,97 8.835,98 0.31,99 0.747,100 19.085,101 5.354,102 28.858,103 8.687,104 18,105 39,106 0.268,107 0.684,108 0.791,109 0.83,110 0.83,111 0.83,112 3.19,113 0.841,114 -4.01,115 -3.96,116 -3.75,119 38.5,120 2,127 1,142 3,143 3,146 2,147 1,148 1,153 1,161 1,163 2,164 2,165 2,166 1,168 1,172 4,174 2,175 9,177 1,178 1,179 1,180 3,182 1,183 6,185 2,186 1,187 7,189 1,190 1,192 3,195 4,197 1,198 2,199 8,201 3,202 3,204 5,207 3,209 3,211 1,212 7,217 3,220 3,222 3,223 1,224 5,227 1,229 4,232 4,234 3,236 2,237 2,239 2,240 3,242 2,245 2,247 2,250 2,252 1,253 3,254 1,257 1,258 2,265 2,266 2,267 1,268 2,270 2,274 1,275 671,276 15.43,277 15.43,278 15.43,279 15.43,280 15.43,281 13.141,282 12.649,283 8.731,284 15.788,285 12.805,286 12.805,287 12.805,288 12.805,289 12.805,290 9.279,291 10,292 4.091,293 13.369,294 3.759,295 1.385,296 0.776,297 0.552,298 0.552,299 0.552,300 3.883,303 1,304 1,305 1,306 406,307 2.739,310 86.762,311 100.078,314 156.288,318 1.18,319 19.295,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50,331 185,332 4.765,333 3.377,334 7.04,335 4.306,336 3.341,337 4.741,339 12.089,340 3.225,341 4.521,342 3.082,343 6.496,344 4.026,345 3.052,346 4.477,348 10.114,349 2.969,350 3.889,351 2.688,352 6.132,353 3.544,354 2.584,355 3.361,357 8.742,358 2.479,359 3.766,360 2.469,361 5.747,362 3.371,363 2.412,364 3.188,366 7.555,367 2.31,368 3.241,369 1.893,370 4.958,371 2.761,372 1.816,373 2.559,375 5.389,376 1.713,377 3.05,378 1.808,379 4.817,380 2.679,381 1.739,382 2.32,384 4.817,385 1.632,386 3.014,387 1.546,388 4.424,389 2.507,390 1.546,391 2.138,393 4.069,394 1.483,395 2.803,396 1.357,397 4.113,398 2.291,399 1.338,400 1.94,402 3.505,403 1.271,404 2.495,405 1.036,406 3.859,407 1.986,408 1.033,409 1.492,411 2.738,412 0.982,413 2.146,414 0.838,415 3.489,416 1.77,417 0.806,418 1.042,420 2.035,421 0.775,422 2.06,423 0.65,424 3.207,425 1.593,426 0.614,427 0.879,428 1.459,429 0.6,430 1.064,431 -0.142,432 2.688,433 0.644,434 -0.279,435 -0.353,436 -0.655,437 -0.256,438 0.922,439 -0.348,440 2.425,441 0.508,442 -0.449,443 -0.583,445 -1.104,446 -0.43,447 0.757,448 -0.646,449 2.262,450 0.283,451 -0.678,452 -0.939,454 -1.961,455 -0.647,456 0.606,457 -0.797,458 2.229,459 0.096,460 -0.844,461 -1,463 -2,464 -0.791,465 10.7,466 0.465,467 0.699,468 0.03,469 32.75,470 1.424,471 17,472 0.739,473 15.75,474 0.685,475 16.841,476 0.732,477 24.1,478 0.618,479 22.815,480 0.992,481 6.293,482 0.274,483 4.766,484 0.207,485 0.168,487 0.458,493 0.985,494 1.187,495 0.766,496 0.918,497 1.229,498 0.82,499 0.732,500 1.131,501 0.63,502 0.901,503 0.569,504 0.771,505 1.117,506 1.232,507 0.895,508 0.989,509 0.82,510 0.915,511 1.03,512 0.993,513 0.983,514 0.963,515 0.934,516 0.964,517 1.205,518 1.042,519 1.177,520 1.072,521 1.035,522 1.111,523 0.891,524 1.286,525 1.076,526 1.319,527 0.973,528 1.246,529 0.934,530 0.908,531 1.154,532 1.118,533 1.249,534 1.167,535 0.584,536 0.838,537 0.754,538 0.906,539 0.646,540 0.869,541 4.5,542 0.012,543 3.333,544 2.458,545 1.722,546 0.834,547 0.54,548 0.345,549 0.285,550 0.119,551 5184,552 13963,553 2.115,554 41,556 4,558 1,559 5,561 6,564 1.663,565 1.944,566 3.006,567 2.761,568 1,569 1,571 1,573 59.527,574 1.526,575 3.9,576 4.509,577 4.734,578 4.734,579 4.734,580 2.442,581 4.35,582 4.497,583 3.131,584 792.072,585 7.772,586 8595.36,587 1,588 1,590 1,591 206.131,592 1.491,593 4.44,594 0.173,595 0.004,596 0.085,597 0.061,598 0.047,599 0.028,600 0.019,601 0.016,602 0.017,603 0.012,604 0.461,605 0.33,606 1,607 0.832,608 104.594,609 -0.045,610 0.048,611 0.033,612 0.087,613 -0.269,614 0.077,615 0.167,616 -0.001,617 0.235,618 0.118,619 0.174,620 0.177,621 -0.125,622 -0.134,624 -0.017,625 0.031,626 0.01,627 -0.011,628 0.032,629 -0.034,630 -0.003,631 0.015,632 -0.02,633 -0.26,634 -0.018,635 -0.245,636 -0.088,637 -0.177,638 -0.151,639 -0.034,640 -0.255,641 -0.168,642 -0.301,643 -0.059,644 -0.266,645 0.045,646 0.016,647 -0.149,648 -0.152,649 -0.152,650 -0.181,651 0.328,652 -0.066,653 0.348,654 0.088,655 0.26,656 0.2,657 1.251,658 2.078,659 0.783,660 15.905,661 1.009,662 1.145,663 2.78,664 7.727,665 0.669,666 3.296,667 3.689,668 4.043,669 4.382,670 4.615,671 4.771,672 4.913,673 5.069,674 5.13,675 5.204,676 4.952,677 0.648,678 308.39,679 3.296,680 4.875,681 5.771,682 6.693,683 7.609,684 8.536,685 9.459,686 10.387,687 11.312,688 12.241,689 20.5,693 2,697 2,699 4,703 4,704 4,705 4,706 1,709 4,710 1,711 20,722 2,731 39,733 20,734 1,735 26,737 42,738 15,739 12,740 3,741 3,746 4,747 6,752 2,758 1,761 12,762 3,777 1,778 1,781 16,782 6,783 5,784 8,790 8,794 0.5,803 2,806 1,811 2,812 2,815 2,840 2,844 2,848 23,849 2,858 1,877 11.833,878 7.583,879 4.889,880 2.255,881 4.051,882 1.542,883 1.049,884 3.078,885 11.528,886 3.611,887 4.35,888 5.089,889 5.798,890 6.362,891 6.826,892 7.337,893 7.86,894 8.208,895 8.642,896 1,897 40,898 8.419,900 3.654,901 7.725,902 15.954,904 13.319,905 2.225,906 51.167,910 129.482,911 74.301,912 151.131,917 74.301,918 129.482,919 151.131,920 17.65,922 94.223,923 80.383,924 42.618,925 2.328,926 117.711,928 129.482,929 225.432,933 58.856,934 70.627,937 53.653,938 104.883,939 66.897,941 129.482,942 151.131,943 74.301,946 129.482,947 19.604,948 56.474,949 16.663,950 132.691,951 129.482,952 151.131,953 74.301,955 0.6,956 0.366,957 0.207,958 0.113,959 22,960 10,961 0.048,962 2,963 2,964 1.222,965 3.401,966 201.468,967 0.222,968 18,969 102.042,974 14.121,975 5.013,976 2.088,977 3.14,978 132.691,979 7.261,980 17.348,981 2.78,984 2.607,985 1.853,986 82.457,987 354.914,988 36,999 39.349,1000 44.647,1001 0.289,1002 0.738,1003 0.853,1004 0.896,1005 0.896,1006 0.896,1007 4.868,1008 1.338,1009 5.796,1010 4.069,1011 4.369,1012 5.037,1014 6.696,1015 4.29,1016 6.134,1017 1.033,1018 7.413,1019 3.505,1020 4.111,1021 5.047,1023 7.763,1024 4.001,1025 7.488,1026 0.806,1027 9.13,1028 2.738,1029 6.047,1030 7.431,1032 10.916,1033 5.9,1034 8.884,1035 0.614,1036 10.904,1037 2.035,1038 6.608,1039 8.299,1041 12.819,1042 6.432,1043 10.315,1044 -0.279,1045 12.716,1046 1.459,1047 8.05,1048 10.159,1050 15.501,1051 7.84,1052 11.77,1053 -0.449,1054 14.553,1055 -0.655,1056 8.965,1057 11.409,1059 17.738,1060 8.725,1061 13.246,1062 -0.678,1063 16.408,1064 -1.104,1065 10.23,1066 13.068,1068 20.27,1069 9.958,1070 3.341,1071 -0.844,1072 18.277,1073 -1.961,1074 11.298,1075 14.485,1077 22.646,1078 10.993,1079 3.052,1080 12.089,1081 20.158,1082 -2,1083 12.502,1084 16.067,1086 25.133,1087 12.165,1088 2.584,1089 10.114,1090 22.047,1091 4.741,1092 13.635,1093 17.554,1095 27.568,1096 13.265,1097 2.412,1098 8.742,1099 23.944,1100 4.477,1101 14.821,1102 19.108,1104 30.045,1105 14.418,1106 1.816,1107 7.555,1108 25.847,1109 3.361,1110 15.984,1111 20.625,1113 32.506,1114 15.546,1115 1.739,1116 5.389,1117 27.755,1118 3.188,1119 17.167,1120 22.17,1122 34.984,1123 16.695,1124 1.546,1125 4.817,1126 29.668,1127 2.559,1128 18.344,1129 23.7,1131 37.458,1132 17.837,1133 4960,1134 8274,1135 17.224,1136 26.091,1137 41.038,1138 40.471,1139 42.566,1140 40.6,1141 40.56,1142 56.276,1144 125.023,1145 38.88,1146 5.439,1147 5.377,1148 6.568,1149 5.378,1150 5.341,1151 7.741,1153 19.561,1154 5.225,1155 11.753,1156 1.578,1157 1.557,1158 1.637,1159 1.562,1160 1.56,1161 2.164,1163 4.809,1164 1.495,1165 4.168,1166 4.212,1167 4.147,1168 4.048,1169 5.276,1170 4.066,1171 4.014,1172 4.067,1173 3.989,1174 3.851,1175 5.219,1176 3.88,1177 3.578,1178 3.656,1179 3.445,1180 3.411,1181 4.872,1182 3.403,1183 3.432,1184 3.502,1185 3.365,1186 3.233,1187 4.734,1188 3.261,1189 3.13,1190 3.231,1191 3.016,1192 2.869,1193 4.514,1194 2.897,1195 2.987,1196 3.094,1197 2.867,1198 2.77,1199 4.287,1200 2.778,1201 2.943,1202 3.042,1203 2.821,1204 2.672,1205 4.046,1206 2.707,1207 2.874,1208 3.009,1209 2.499,1210 2.618,1211 3.703,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.128,1218 4.765,1219 0.182,1220 3.377,1222 7.04,1223 0.465,1224 4.306,1225 0.124,1226 3.341,1227 4.741,1229 12.089,1230 3.225,1231 1.959,1232 1.94,1233 2.023,1234 2.044,1235 1.181,1236 2.033,1237 1.807,1238 1.76,1239 1.946,1240 1.995,1241 1.14,1242 1.98,1243 1.622,1244 1.558,1245 1.78,1246 1.822,1247 0.863,1248 1.82,1249 1.399,1250 1.317,1251 1.541,1252 1.742,1253 0.469,1254 1.691,1255 1.139,1256 1.07,1257 1.417,1258 1.409,1259 0.463,1260 1.376,1261 0.934,1262 0.843,1263 1.247,1264 1.249,1265 0.224,1266 1.308,1267 0.923,1268 0.804,1269 1.169,1270 1.239,1271 0.139,1272 1.232,1273 0.832,1274 0.746,1275 1.117,1276 1.15,1277 0.032,1278 1.147,1279 3.97,1281 5.342,1282 3.045,1283 6.909,1284 5.476,1285 8.566,1286 7.644,1287 10.272,1289 4.095,1293 11.924,1299 0.158,1305 25.278,1306 59.527,1307 152.115,1308 175.866,1309 184.621,1310 184.621,1311 184.621,1312 29.688,1313 7.477,1314 124.32,1315 124.32,1316 22,1317 12.745,1318 4.392,1319 3.459,1320 31.661,1321 67,1322 70,1323 0.236,1324 156.017,1325 241.9,1326 372.442,1327 16190,1329 16.137,1330 0.702,1331 0.556,1332 16.137,1333 12.778,1334 11.059,1335 0.425,1336 0.28,1337 7.167,1338 10.567,1339 6.962,1340 5.812,1341 11.059,1342 7.286,1343 10.509,1344 0.269,1345 0.147,1346 10.509,1347 5.714,1348 9.204,1349 0.164,1350 0.069,1351 9.204,1352 3.865,1353 8.126,1354 0.103,1355 0.035,1356 8.126,1357 2.737,1358 6.539,1359 0.065,1360 0.018,1361 6.539,1362 1.828,1363 0.354,1364 69.691,1365 0.241,1366 21.864,1367 0.701,1368 130,1369 357.183,1370 143.96,1371 356.887,1372 509.28,1373 334,1374 160,1375 408.589,1376 175.57,1377 413.113,1378 610.03,1379 389,1380 6.714}
{0 CHEMBL1242477,1 1.511,2 7.364,3 2.207,4 4.871,5 86.329,6 7.929,7 0.8,8 3.758,9 3.9,10 3.391,11 3.27,12 4.926,13 3.277,14 4.252,15 4.435,16 3.78,17 3.669,18 5.356,19 3.666,20 4.422,21 4.628,22 3.803,23 3.757,24 5.502,25 3.733,26 4.505,27 4.735,28 3.781,29 3.759,30 5.604,31 3.717,32 4.428,33 4.657,34 3.6,35 3.691,36 5.442,37 3.628,38 4.339,39 4.542,40 3.585,41 3.635,42 5.452,43 3.574,44 4.449,45 4.723,46 3.338,47 3.543,48 5.462,49 3.423,50 4.262,51 4.586,52 2.994,53 3.222,54 5.108,55 3.062,56 0.093,57 0.654,58 6.959,59 2.72,60 9.525,61 3.657,62 0.175,63 1.011,64 12.906,65 4.568,66 16.731,67 6.44,68 0.198,69 1.135,70 16.107,71 5.181,72 18.153,73 7.528,74 0.33,75 1.174,76 18.558,77 5.689,78 31.366,79 8.345,80 0.258,81 1.064,82 17.084,83 5.267,84 24.256,85 7.695,86 0.176,87 1.011,88 14.504,89 5.071,90 21.266,91 7.251,92 0.344,93 0.97,94 19.334,95 5.728,96 40.699,97 8.65,98 0.26,99 0.71,100 18.216,101 5.482,102 26.447,103 8.656,104 11,105 37,106 0.268,107 0.689,108 0.807,109 0.83,110 0.83,111 0.83,112 3.149,113 0.849,114 -4.08,115 -4.03,116 -3.82,119 40.5,120 2,127 1,142 3,143 3,146 2,147 1,148 1,151 1,161 1,163 1,164 1,165 1,166 1,168 1,172 4,174 2,175 9,177 1,178 1,180 2,183 6,185 1,186 1,187 7,192 2,195 4,198 2,199 8,201 3,202 3,204 3,207 3,209 1,211 1,212 7,217 2,220 3,222 2,223 1,224 5,227 1,229 4,232 4,234 3,236 2,237 2,239 1,240 2,242 1,245 2,247 1,250 2,253 2,254 1,257 1,258 2,268 2,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.256,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 12.855,294 3.699,295 1.318,296 0.656,297 0.527,298 0.527,299 0.527,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 15.944,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 162,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.414,342 2.939,343 6.253,344 3.909,345 2.93,346 4.353,348 9.393,349 2.867,350 3.852,351 2.666,352 6.073,353 3.514,354 2.557,355 3.301,357 8.572,358 2.447,359 3.746,360 2.404,361 5.713,362 3.332,363 2.37,364 3.179,366 7.457,367 2.278,368 3.056,369 1.822,370 4.82,371 2.685,372 1.743,373 2.328,375 4.819,376 1.638,377 3.034,378 1.55,379 4.518,380 2.515,381 1.55,382 2.3,384 4.378,385 1.503,386 3.009,387 1.533,388 4.333,389 2.492,390 1.533,391 2.133,393 4.044,394 1.457,395 2.636,396 1.155,397 3.864,398 2.097,399 1.153,400 1.7,402 2.795,403 1.086,404 2.47,405 1,406 3.509,407 1.962,408 1,409 1.457,411 2.398,412 0.959,413 2.133,414 0.837,415 3.419,416 1.77,417 0.806,418 1.036,420 2.014,421 0.775,422 1.885,423 0.401,424 3.036,425 1.369,426 0.396,427 0.588,428 0.984,429 0.385,430 1.061,431 -0.155,432 2.652,433 0.627,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.376,442 -0.59,443 -0.818,445 -1.644,446 -0.568,447 0.628,448 -0.797,449 2.259,450 0.118,451 -0.841,452 -1,454 -2,455 -0.79,456 0.545,457 -0.907,458 2.206,459 0.046,460 -0.922,461 -1.149,463 -2.365,464 -0.906,465 10.3,466 0.468,467 0.61,468 0.028,469 31.5,470 1.432,471 16.5,472 0.75,473 15,474 0.682,475 15.688,476 0.713,477 22.7,478 0.614,479 21.054,480 0.957,481 6.045,482 0.275,483 4.602,484 0.209,485 0.136,487 0.427,493 0.866,494 1.193,495 0.733,496 0.96,497 1.064,498 0.847,499 0.834,500 1.114,501 0.676,502 0.875,503 0.638,504 0.77,505 1.101,506 1.208,507 0.888,508 0.983,509 0.832,510 0.913,511 1.011,512 0.969,513 0.959,514 0.939,515 0.985,516 0.94,517 1.247,518 1.017,519 1.152,520 1.016,521 1.053,522 1.058,523 0.992,524 1.324,525 1.153,526 1.348,527 1.19,528 1.291,529 1.033,530 0.876,531 1.204,532 1.083,533 1.512,534 1.158,535 0.546,536 0.796,537 0.77,538 0.904,539 0.528,540 0.881,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 12104,553 2.148,554 40.5,556 4,557 1,558 1,559 3,561 6,564 1.652,565 2,566 2.918,567 1.114,568 1,569 1,571 1,573 55.892,574 1.511,575 3.891,576 4.554,577 4.682,578 4.682,579 4.682,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,590 1,591 192.75,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.67,606 1,607 0.797,608 98.122,609 0.052,610 0.006,611 0.055,612 0.026,613 -0.167,614 0.039,615 0.103,616 -0.007,617 0.191,618 0.11,619 0.159,620 0.156,621 -0.125,622 -0.147,623 0.016,624 -0.015,625 0.014,626 0.018,627 0.042,628 0.056,629 -0.009,630 0.006,631 0.049,632 -0.007,633 -0.254,634 0.001,635 -0.214,636 -0.055,637 -0.136,638 -0.115,639 -0.074,640 -0.276,641 -0.262,642 -0.369,643 -0.105,644 -0.352,645 -0.017,646 0.039,647 -0.181,648 -0.126,649 -0.264,650 -0.173,651 0.329,652 -0.042,653 0.357,654 0.115,655 0.37,656 0.219,657 1.228,658 2.074,659 0.818,660 14.281,661 1.007,662 1.139,663 2.854,664 8.145,665 0.678,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.656,678 293.37,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 18.9,693 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,722 1,731 37,733 20,734 1,735 25,737 40,738 15,739 12,740 3,741 3,746 4,747 6,752 2,758 1,761 12,762 3,777 1,778 1,781 15,782 5,783 3,784 7,790 7,794 0.5,803 2,806 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,877 11,878 7.333,879 4.694,880 2.214,881 4.036,882 1.548,883 1.045,884 2.876,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.06,900 3.481,901 7.659,902 15.387,904 12.837,905 2.159,906 47.5,910 141.253,911 81.021,912 118.234,917 81.021,918 141.253,919 118.234,920 17.65,922 70.373,923 80.383,924 40.291,925 14.099,926 117.711,928 141.253,929 199.255,933 70.627,934 70.627,937 51.325,938 81.033,939 66.897,941 141.253,942 118.234,943 81.021,946 141.253,947 17.276,948 65.522,949 16.663,950 99.794,951 141.253,952 118.234,953 81.021,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.05,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.225,975 4.784,976 1.994,977 3.478,978 99.794,979 9.343,980 17.394,981 2.863,984 2.172,985 1.872,986 49.56,987 340.508,988 35,999 37.247,1000 42.149,1001 0.29,1002 0.747,1003 0.874,1004 0.899,1005 0.899,1006 0.899,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.242,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.908,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.837,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.342,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.761,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.629,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.865,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.89,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 12.061,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.156,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.309,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.434,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.584,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.726,1133 4398,1134 7243,1135 16.819,1136 25.086,1137 39.193,1138 38.662,1139 40.034,1140 38.779,1141 38.753,1142 54.225,1144 117.881,1145 37.231,1146 5.437,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.551,1160 1.55,1161 2.169,1163 4.715,1164 1.489,1165 4.165,1166 4.208,1167 4.143,1168 4.046,1169 5.26,1170 4.063,1171 4.006,1172 4.059,1173 3.976,1174 3.848,1175 5.088,1176 3.875,1177 3.578,1178 3.656,1179 3.445,1180 3.411,1181 4.858,1182 3.402,1183 3.406,1184 3.474,1185 3.336,1186 3.213,1187 4.53,1188 3.238,1189 3.124,1190 3.224,1191 3.009,1192 2.866,1193 4.308,1194 2.892,1195 2.987,1196 3.093,1197 2.867,1198 2.752,1199 4.046,1200 2.759,1201 2.874,1202 3.009,1203 2.755,1204 2.667,1205 3.762,1206 2.697,1207 2.874,1208 2.94,1209 2.499,1210 2.618,1211 3.655,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.303,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 1.959,1232 1.939,1233 2.026,1234 2.042,1235 1.18,1236 2.032,1237 1.807,1238 1.76,1239 1.947,1240 1.993,1241 1.14,1242 1.979,1243 1.621,1244 1.557,1245 1.781,1246 1.816,1247 0.864,1248 1.817,1249 1.365,1250 1.285,1251 1.525,1252 1.697,1253 0.491,1254 1.651,1255 1.138,1256 1.069,1257 1.417,1258 1.407,1259 0.469,1260 1.375,1261 0.934,1262 0.826,1263 1.247,1264 1.239,1265 0.225,1266 1.308,1267 0.906,1268 0.804,1269 1.146,1270 1.228,1271 0.152,1272 1.213,1273 0.812,1274 0.735,1275 1.096,1276 1.075,1277 0.033,1278 1.071,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.122,1293 6.074,1299 0.18,1305 24.257,1306 55.892,1307 143.979,1308 168.485,1309 173.24,1310 173.24,1311 173.24,1312 25.775,1313 7.358,1314 98.3,1315 98.3,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 149.223,1325 230.9,1326 355.864,1327 14040,1329 15.267,1330 0.694,1331 0.558,1332 15.267,1333 12.278,1334 10.648,1335 0.426,1336 0.283,1337 6.964,1338 10.184,1339 6.761,1340 5.645,1341 10.648,1342 7.075,1343 9.981,1344 0.27,1345 0.149,1346 9.981,1347 5.503,1348 8.729,1349 0.165,1350 0.07,1351 8.729,1352 3.716,1353 7.769,1354 0.104,1355 0.035,1356 7.769,1357 2.639,1358 6.227,1359 0.066,1360 0.019,1361 6.227,1362 1.767,1363 0.361,1364 66.984,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 339.871,1370 136.545,1371 338.411,1372 484.17,1373 318,1374 152,1375 387.463,1376 166.21,1377 391.486,1378 577.46,1379 369,1380 7.161}
{0 CHEMBL1242566,1 1.739,2 7.773,3 2.584,4 6.676,5 81.119,6 8.315,7 0.64,8 3.742,9 3.863,10 3.396,11 3.258,12 4.956,13 3.277,14 4.232,15 4.394,16 3.761,17 3.628,18 5.424,19 3.63,20 4.455,21 4.661,22 3.85,23 3.687,24 5.763,25 3.691,26 4.441,27 4.651,28 3.791,29 3.673,30 5.668,31 3.67,32 4.384,33 4.585,34 3.669,35 3.67,36 5.511,37 3.637,38 4.371,39 4.564,40 3.647,41 3.635,42 5.579,43 3.595,44 4.431,45 4.674,46 3.438,47 3.514,48 5.639,49 3.422,50 4.274,51 4.566,52 3.016,53 3.149,54 5.498,55 3.016,56 0.13,57 0.667,58 6.212,59 2.956,60 15.773,61 3.468,62 0.227,63 1.037,64 11.479,65 4.955,66 23.236,67 6.219,68 0.495,69 1.185,70 17.416,71 5.698,72 62.637,73 7.53,74 0.493,75 1.163,76 16.985,77 5.374,78 52.473,79 6.83,80 0.368,81 1.054,82 15.014,83 5.021,84 35.647,85 6.744,86 0.362,87 1.065,88 14.417,89 5.247,90 37.589,91 6.974,92 0.5,93 1.005,94 18.295,95 6.027,96 58.677,97 8.45,98 0.549,99 0.78,100 18.977,101 5.56,102 78.449,103 7.99,104 10,105 37,106 0.313,107 0.725,108 0.809,109 0.861,110 0.861,111 0.861,112 3.149,113 0.855,114 -4.77,115 -4.68,116 -4.4,119 41.7,121 3,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 2,183 4,185 1,186 1,187 6,192 2,195 3,198 2,199 8,201 3,202 3,204 2,207 3,209 1,212 6,215 1,217 3,220 3,222 2,224 4,227 1,229 3,232 5,234 3,237 1,240 2,241 1,242 1,244 1,245 4,247 1,255 2,258 1,268 1,275 604,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.995,282 12.029,283 8.539,284 15.261,285 12.321,286 12.321,287 12.321,288 12.321,289 12.321,290 9.401,291 8.729,292 4.025,293 12.916,294 3.431,295 1.143,296 0.674,297 0.389,298 0.389,299 0.389,300 3.838,303 1,304 1,305 1,306 378,307 2.121,309 40.578,310 41.015,311 111.803,314 78.94,318 1.087,319 29.645,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49,331 171,332 4.764,333 3.397,334 7.051,335 4.313,336 3.35,337 4.733,339 12.147,340 3.227,341 4.219,342 3.166,343 6.266,344 3.808,345 2.848,346 3.88,348 9.331,349 2.731,350 3.891,351 2.809,352 5.973,353 3.63,354 2.67,355 3.249,357 8.332,358 2.559,359 3.681,360 2.453,361 5.682,362 3.273,363 2.324,364 3.086,366 7.322,367 2.19,368 3.255,369 2.044,370 5.096,371 2.944,372 1.994,373 2.39,375 5.746,376 1.889,377 2.996,378 1.868,379 4.469,380 2.448,381 1.512,382 2.232,384 4.137,385 1.411,386 2.82,387 1.533,388 4.246,389 2.365,390 1.414,391 1.948,393 3.514,394 1.333,395 2.613,396 1.296,397 4.038,398 2.194,399 1.235,400 1.656,402 3.474,403 1.181,404 2.407,405 1.075,406 3.653,407 1.942,408 1.011,409 1.376,411 2.499,412 0.938,413 1.441,414 0.594,415 2.974,416 1.296,417 0.316,418 0.348,420 0.782,421 0.309,422 1.366,423 0.347,424 2.736,425 1,426 0.1,427 0.121,428 0.222,429 0.087,430 1.041,432 2.618,433 0.987,438 1,439 -0.168,440 2.417,441 0.606,442 -0.307,443 -0.39,445 -0.714,446 -0.279,447 0.78,448 -0.292,449 2.375,450 0.352,451 -0.595,452 -0.771,454 -1.604,455 -0.555,456 0.599,457 -0.718,458 2.241,459 0.1,460 -0.835,461 -1.142,463 -2.341,464 -0.771,465 10.119,466 0.46,467 0.61,468 0.028,469 30,470 1.364,471 15,472 0.682,473 15,474 0.682,475 15.704,476 0.714,477 23.481,478 0.652,479 20.714,480 0.942,481 5.651,482 0.257,483 4.997,484 0.227,485 0.101,487 0.435,491 1,493 0.759,494 1.053,495 0.694,496 0.937,497 0.736,498 0.826,499 0.643,500 1.102,501 0.724,502 1.089,503 0.537,504 0.964,505 0.867,506 1.127,507 0.772,508 0.926,509 0.709,510 0.835,511 1.047,512 0.912,513 0.984,514 0.841,515 0.971,516 0.87,517 0.799,518 0.9,519 1.064,520 0.975,521 0.568,522 1.042,523 0.739,524 1.036,525 1.097,526 1.229,527 0.721,528 1.243,529 0.691,530 0.937,531 1.1,532 1.204,533 0.788,534 1.252,535 0.874,536 0.683,537 0.981,538 0.977,539 1.007,540 1.022,541 4,542 0.012,543 3,544 1.917,545 1.669,546 0.705,547 0.505,548 0.376,549 0.16,550 0.061,551 4612,552 13937,553 2.148,554 38.9,555 2,556 4,558 1,559 3,561 4,564 1.653,565 2,566 2.955,567 1.114,568 1,569 1,571 1,573 62.601,574 1.739,575 4.027,576 4.496,577 4.781,578 4.781,579 4.781,580 2.392,581 4.369,582 4.43,583 3.05,584 704.529,585 7.653,586 7446.13,587 1,588 1,590 1,591 186.117,592 1.437,593 4.388,594 0.16,595 0.012,596 0.086,597 0.052,598 0.048,599 0.023,600 0.017,601 0.018,602 0.013,603 0.012,604 0.441,605 0.5,606 1,607 0.595,608 98.167,609 -0.081,610 -0.014,611 0.017,612 0.07,613 -0.094,614 0.069,615 0.038,616 -0.108,617 0.071,618 -0.1,619 0.063,620 -0.032,621 0.056,622 -0.146,623 0.164,624 0.031,625 0.162,626 0.112,627 -0.11,628 0.11,629 -0.064,630 0.076,631 -0.106,632 0.032,633 -0.137,634 -0.025,635 -0.211,636 -0.05,637 -0.044,638 -0.119,639 -0.012,640 -0.111,641 -0.241,642 -0.279,643 -0.039,644 -0.31,645 0.147,646 -0.087,647 -0.105,648 -0.241,649 0.055,650 -0.244,651 0.208,652 0.114,653 0.187,654 0.021,655 0.148,656 0.074,657 2.337,658 5.28,659 0.864,660 15.182,661 1.021,662 1.142,663 3.54,664 12.533,665 0.673,666 3.258,667 3.638,668 3.989,669 4.263,670 4.554,671 4.718,672 4.868,673 4.99,674 4.956,675 4.875,676 4.735,677 0.662,678 299.34,679 3.258,680 4.828,681 5.72,682 6.635,683 7.548,684 8.471,685 9.393,686 10.32,687 11.246,688 12.176,689 13.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 36,733 16,734 1,735 25,737 39,738 15,739 11,740 3,741 3,746 4,747 5,755 4,758 4,761 11,762 4,777 1,778 1,779 1,781 14,782 6,783 3,784 7,790 5,794 0.75,795 1,803 1,806 1,810 1,811 1,812 2,815 1,840 3,846 1,848 22,849 1,853 1,854 3,858 1,869 1,870 2.8,872 1,877 11,878 6.393,879 4.694,880 2.199,881 3.095,882 1.433,883 1.012,884 3.013,885 10.248,886 3.526,887 4.216,888 4.904,889 5.562,890 6.164,891 6.589,892 7.046,893 7.501,894 7.759,895 8.014,896 1,897 37,898 8.148,900 3.678,901 7.977,902 15.267,904 13.142,905 2.477,906 54.5,910 129.482,911 66.33,912 84.908,914 42.683,915 14.96,917 66.33,918 172.165,919 99.868,921 7.604,922 61.326,923 106.404,924 28.031,925 17.288,926 117.711,928 129.482,929 151.238,930 57.643,933 97.358,934 89.768,937 22.471,938 78.533,939 50.234,941 144.442,942 127.591,943 66.33,946 129.482,947 29.283,948 38.824,950 140.775,951 129.482,952 142.551,953 66.33,955 0.596,956 0.364,957 0.188,958 0.109,959 21,960 9,961 0.051,962 2,963 1,964 1.105,965 3.378,966 188.186,967 0.105,968 19,969 96.107,974 13.467,975 4.921,976 2.064,977 1.316,978 140.775,979 5.53,980 12.944,984 0.392,985 1.868,986 75.581,987 338.364,988 33,999 36.767,1000 41.117,1001 0.336,1002 0.779,1003 0.87,1004 0.925,1005 0.925,1006 0.925,1007 4.787,1008 1.235,1009 5.733,1010 3.514,1011 4.317,1012 4.902,1014 6.619,1015 4.227,1016 6.028,1017 1.011,1018 7.339,1019 3.474,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.374,1026 0.316,1027 9.047,1028 2.499,1029 5.999,1030 7.228,1032 10.823,1033 5.834,1034 8.758,1035 0.1,1036 10.815,1037 0.782,1038 6.509,1039 8.038,1041 12.71,1042 6.287,1043 10.175,1045 12.62,1046 0.222,1047 7.979,1048 9.892,1050 15.404,1051 7.741,1052 11.617,1053 -0.307,1054 14.452,1056 8.86,1057 11.101,1059 17.644,1060 8.57,1061 13.078,1062 -0.595,1063 16.303,1064 -0.714,1065 10.137,1066 12.758,1068 20.191,1069 9.825,1070 3.35,1071 -0.835,1072 18.169,1073 -1.604,1074 11.187,1075 14.152,1077 22.579,1078 10.829,1079 2.848,1080 12.147,1081 20.047,1082 -2.341,1083 12.397,1084 15.734,1086 25.082,1087 12.011,1088 2.67,1089 9.331,1090 21.935,1091 4.733,1092 13.524,1093 17.212,1095 27.531,1096 13.097,1097 2.324,1098 8.332,1099 23.832,1100 3.88,1101 14.715,1102 18.769,1104 30.024,1105 14.256,1106 1.994,1107 7.322,1108 25.736,1109 3.249,1110 15.878,1111 20.286,1113 32.499,1114 15.38,1115 1.512,1116 5.746,1117 27.646,1118 3.086,1119 17.068,1120 21.835,1122 34.991,1123 16.535,1124 1.414,1125 4.137,1126 29.561,1127 2.39,1128 18.249,1129 23.37,1131 37.478,1132 17.679,1133 4399,1134 7772,1135 16.819,1136 24.228,1137 37.867,1138 38.37,1139 39.693,1140 37.647,1141 37.548,1142 50.037,1144 115.014,1145 35.708,1146 5.764,1147 5.397,1148 6.669,1149 5.385,1150 5.35,1151 7.733,1153 19.676,1154 5.227,1155 9.835,1156 1.515,1157 1.535,1158 1.588,1159 1.506,1160 1.502,1161 2.001,1163 4.601,1164 1.428,1165 4.148,1166 4.196,1167 4.127,1168 4.006,1169 8.201,1170 4.029,1171 3.868,1172 3.899,1173 3.817,1174 3.768,1175 6.465,1176 3.772,1177 3.765,1178 3.816,1179 3.658,1180 3.638,1181 5.254,1182 3.64,1183 3.262,1184 3.348,1185 3.21,1186 3,1187 4.869,1188 3.043,1189 3.026,1190 3.121,1191 2.946,1192 2.75,1193 4.573,1194 2.791,1195 2.931,1196 2.971,1197 2.804,1198 2.744,1199 4.399,1200 2.747,1201 2.82,1202 2.891,1203 2.731,1204 2.591,1205 4.131,1206 2.612,1207 2.524,1208 2.66,1209 2.245,1210 2.274,1211 3.692,1212 2.228,1213 0.191,1214 0.136,1215 0.282,1216 0.173,1217 0.134,1218 4.764,1219 0.189,1220 3.397,1222 7.051,1223 0.486,1224 4.313,1225 0.129,1226 3.35,1227 4.733,1229 12.147,1230 3.227,1231 1.93,1232 1.905,1233 2.096,1234 2.088,1235 1.491,1236 2.087,1237 1.898,1238 1.849,1239 1.984,1240 2.014,1241 1.109,1242 2.005,1243 1.712,1244 1.672,1245 1.788,1246 1.883,1247 0.851,1248 1.865,1249 1.196,1250 1.136,1251 1.289,1252 1.486,1253 0.389,1254 1.435,1255 0.909,1256 0.842,1257 1.152,1258 1.231,1259 0.325,1260 1.209,1261 0.883,1262 0.831,1263 1.117,1264 1.141,1265 0.185,1266 1.131,1267 0.791,1268 0.687,1269 1.079,1270 1.103,1271 0.115,1272 1.099,1273 0.585,1274 0.475,1275 1.07,1276 0.895,1278 0.967,1279 3.932,1281 5.333,1282 2.398,1283 6.913,1284 4.844,1285 8.575,1286 7.081,1287 10.28,1291 13.28,1293 5.994,1294 9.604,1295 3.267,1299 0.305,1305 23.839,1306 62.601,1307 144.956,1308 161.853,1309 172.117,1310 172.117,1311 172.117,1312 37.453,1313 7.153,1314 89.85,1315 89.85,1316 21,1317 12.679,1318 4.087,1319 3.17,1320 29.624,1321 61,1322 64,1323 0.243,1324 143.756,1325 237.3,1326 342.525,1327 10300,1328 2.8,1329 15.267,1330 0.694,1331 0.532,1332 14.397,1333 11.699,1334 10.648,1335 0.426,1336 0.285,1337 7.006,1338 10.155,1339 6.928,1340 5.68,1341 10.237,1342 7.125,1343 9.931,1344 0.268,1345 0.149,1346 9.436,1347 5.502,1348 8.937,1349 0.169,1350 0.078,1351 8.275,1352 4.158,1353 7.058,1354 0.101,1355 0.036,1356 6.95,1357 2.539,1358 6.013,1359 0.064,1360 0.019,1361 5.813,1362 1.782,1363 0.361,1364 67.473,1365 0.244,1366 21.017,1367 0.735,1368 124,1369 414.153,1370 139.371,1371 378.247,1372 517.53,1373 352,1374 152,1375 392.657,1376 168.642,1377 388.855,1378 576.94,1379 367,1380 6.317}
{0 CHEMBL1242567,1 1.789,2 7.773,3 1.088,4 1.184,5 79.733,6 8.581,7 0.64,8 3.731,9 3.857,10 3.405,11 3.208,12 4.974,13 3.245,14 4.202,15 4.367,16 3.762,17 3.578,18 5.429,19 3.601,20 4.406,21 4.6,22 3.852,23 3.653,24 5.756,25 3.671,26 4.421,27 4.629,28 3.797,29 3.647,30 5.673,31 3.653,32 4.364,33 4.567,34 3.677,35 3.628,36 5.518,37 3.607,38 4.339,39 4.531,40 3.653,41 3.578,42 5.575,43 3.554,44 4.407,45 4.656,46 3.453,47 3.436,48 5.663,49 3.365,50 4.217,51 4.513,52 3.017,53 3.026,54 5.48,55 2.927,56 0.166,57 0.672,58 5.762,59 2.603,60 16.956,61 3.008,62 0.294,63 1.022,64 10.561,65 4.265,66 23.73,67 5.244,68 0.543,69 1.149,70 15.391,71 5.151,72 60.328,73 6.58,74 0.539,75 1.129,76 15.91,77 5.159,78 54.331,79 6.463,80 0.419,81 1.026,82 14.12,83 4.707,84 36.454,85 6.301,86 0.397,87 1.021,88 13.223,89 4.758,90 37.878,91 6.345,92 0.581,93 0.942,94 17.759,95 5.424,96 60.423,97 7.723,98 0.606,99 0.694,100 18.351,101 4.704,102 77.818,103 6.976,104 10,105 37,106 0.324,107 0.757,108 0.842,109 0.867,110 0.867,111 0.867,112 3.149,113 0.82,114 -3.76,115 -3.72,116 -3.54,119 40,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 5,177 1,178 1,180 2,183 3,185 1,186 1,187 3,190 1,192 2,195 3,198 2,199 5,201 3,202 4,204 2,207 1,209 1,212 5,215 2,217 4,222 2,224 2,227 1,229 2,234 1,240 3,241 2,242 2,244 2,255 1,267 1,275 604,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.995,282 14.265,283 8.539,284 15.318,285 12.321,286 12.321,287 12.321,288 12.321,289 12.321,290 9.401,291 13.515,292 4.025,293 13.001,294 3.341,295 0.946,296 0.479,297 0.343,298 0.343,299 0.343,300 3.838,304 1,305 1,306 378,307 2.121,309 40.578,310 41.015,311 111.803,314 78.94,318 1.087,319 30.769,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 171,332 4.764,333 3.401,334 7.051,335 4.312,336 3.35,337 4.733,338 0.4,339 12.147,340 3.225,341 4.219,342 3.167,343 6.266,344 3.805,345 2.848,346 3.88,348 9.331,349 2.72,350 3.891,351 2.849,352 5.973,353 3.621,354 2.67,355 3.249,357 8.332,358 2.535,359 3.681,360 2.454,361 5.682,362 3.272,363 2.324,364 3.086,366 7.322,367 2.19,368 3.255,369 2.12,370 5.096,371 2.928,372 1.994,373 2.39,375 5.746,376 1.858,377 2.996,378 1.869,379 4.469,380 2.448,381 1.512,382 2.232,384 4.137,385 1.411,386 2.82,387 1.535,388 4.246,389 2.365,390 1.414,391 1.948,393 3.514,394 1.333,395 2.613,396 1.402,397 4.038,398 2.176,399 1.235,400 1.656,402 3.474,403 1.159,404 2.407,405 1.079,406 3.653,407 1.938,408 1.011,409 1.376,411 2.499,412 0.934,413 1.441,414 0.607,415 2.974,416 1.252,417 0.316,418 0.348,420 0.782,421 0.295,422 1.366,423 0.471,424 2.736,425 0.987,426 0.1,427 0.121,428 0.222,429 0.087,430 1.041,431 0.22,432 2.618,433 0.951,438 1,439 -0.163,440 2.417,441 0.605,442 -0.307,443 -0.39,445 -0.714,446 -0.279,447 0.78,448 -0.291,449 2.375,450 0.352,451 -0.595,452 -0.771,454 -1.604,455 -0.555,456 0.599,457 -0.717,458 2.241,459 0.1,460 -0.835,461 -1.142,463 -2.341,464 -0.77,465 10.019,466 0.455,467 0.61,468 0.028,469 30.5,470 1.386,471 15,472 0.682,473 15.5,474 0.705,475 14.714,476 0.669,477 23.581,478 0.674,479 21.704,480 0.987,481 6.078,482 0.276,483 4.57,484 0.208,485 0.102,487 0.439,491 1,493 0.825,494 1.119,495 0.689,496 0.929,497 0.763,498 0.795,499 0.752,500 1.066,501 0.75,502 0.996,503 0.585,504 0.888,505 0.885,506 1.117,507 0.809,508 0.956,509 0.747,510 0.872,511 0.998,512 0.912,513 0.98,514 0.891,515 0.97,516 0.914,517 0.767,518 0.916,519 1.041,520 1.014,521 0.557,522 1.069,523 0.742,524 1.114,525 1.068,526 1.294,527 0.726,528 1.274,529 0.697,530 0.895,531 1.088,532 1.182,533 0.785,534 1.24,535 0.962,536 0.688,537 0.978,538 0.913,539 1.041,540 0.959,541 4,542 0.012,543 3,544 1.917,545 1.669,546 0.705,547 0.505,548 0.376,549 0.16,550 0.061,551 4612,552 14931,553 2.148,554 37.1,556 8,558 1,559 4,564 1.653,565 2,566 2.955,567 1.959,569 1,571 1,573 62.606,574 1.789,575 4.183,576 4.651,577 4.786,578 4.786,579 4.786,580 2.392,581 4.369,582 4.43,583 3.05,584 704.529,585 7.653,586 7446.13,587 1,588 1,591 179.525,592 1.437,593 4.388,594 0.16,595 0.012,596 0.086,597 0.052,598 0.048,599 0.023,600 0.017,601 0.018,602 0.013,603 0.012,604 0.441,605 0.33,606 1,607 0.595,608 98.167,609 -0.131,610 -0.064,611 0.004,612 0.069,613 -0.125,614 0.078,615 -0.043,616 -0.05,617 0.029,618 -0.018,619 0.023,620 0.02,621 0.033,622 -0.109,623 0.094,624 0.017,625 0.139,626 0.068,627 -0.094,628 0.1,629 -0.074,630 0.049,631 -0.11,632 0.004,633 -0.109,634 -0.047,635 -0.19,636 -0.076,637 -0.032,638 -0.132,639 -0.015,640 -0.191,641 -0.216,642 -0.332,643 -0.038,644 -0.333,645 0.17,646 -0.06,647 -0.061,648 -0.232,649 0.072,650 -0.225,651 0.174,652 0.088,653 0.251,654 0.069,655 0.151,656 0.154,657 2.347,658 5.272,659 0.864,660 15.182,661 1.028,662 1.149,663 2.528,664 6.393,665 0.671,666 3.258,667 3.638,668 3.989,669 4.263,670 4.554,671 4.718,672 4.868,673 4.99,674 4.956,675 4.875,676 4.735,677 0.667,678 300.33,679 3.258,680 4.828,681 5.72,682 6.635,683 7.548,684 8.471,685 9.393,686 10.32,687 11.246,688 12.176,689 17.1,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 35,732 1,733 16,734 1,735 25,737 38,738 14,739 11,740 3,741 3,746 4,747 5,755 1,758 1,761 11,762 3,777 1,778 1,779 1,781 13,782 7,783 4,784 8,790 6,794 0.75,795 1,803 1,806 1,810 1,811 1,812 2,815 1,835 1,840 3,846 1,848 22,849 1,853 1,854 2,855 1,858 1,869 1,870 2.9,872 1,877 11,878 6.143,879 4.694,880 1.949,881 3.095,882 1.433,883 1.019,884 2.992,885 10.248,886 3.526,887 4.216,888 4.904,889 5.562,890 6.164,891 6.589,892 7.046,893 7.501,894 7.759,895 8.014,896 1,897 37,898 8.13,900 3.668,901 8.023,902 15.083,904 12.842,905 2.523,906 55.5,910 105.94,911 62.938,912 102.919,914 42.683,915 14.96,917 62.938,918 148.623,919 117.879,921 4.211,922 79.337,923 106.404,924 28.031,925 17.288,926 94.169,928 105.94,929 165.857,930 57.643,933 120.9,934 42.683,937 37.089,938 78.533,939 50.234,941 120.9,942 145.602,943 62.938,946 105.94,947 25.891,948 38.824,949 18.011,950 140.775,951 105.94,952 160.562,953 62.938,955 0.596,956 0.364,957 0.188,958 0.109,959 21,960 9,961 0.053,962 2,963 1,964 1.105,965 3.378,966 188.186,967 0.105,968 19,969 96.107,974 13.431,975 4.901,976 2.053,977 1.248,978 158.785,979 5.466,980 12.861,984 0.301,985 1.805,986 93.591,987 329.44,988 33,999 35.985,1000 40.2,1001 0.349,1002 0.816,1003 0.907,1004 0.933,1005 0.933,1006 0.933,1007 4.787,1008 1.235,1009 5.733,1010 3.514,1011 4.317,1012 4.902,1013 0.278,1014 6.619,1015 4.216,1016 6.028,1017 1.011,1018 7.339,1019 3.474,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.374,1026 0.316,1027 9.047,1028 2.499,1029 5.999,1030 7.228,1031 0.05,1032 10.823,1033 5.814,1034 8.758,1035 0.1,1036 10.815,1037 0.782,1038 6.509,1039 8.038,1041 12.71,1042 6.28,1043 10.175,1045 12.62,1046 0.222,1047 7.979,1048 9.892,1049 0.008,1050 15.404,1051 7.719,1052 11.617,1053 -0.307,1054 14.452,1056 8.86,1057 11.101,1059 17.644,1060 8.559,1061 13.078,1062 -0.595,1063 16.303,1064 -0.714,1065 10.137,1066 12.758,1067 0.001,1068 20.191,1069 9.804,1070 3.35,1071 -0.835,1072 18.169,1073 -1.604,1074 11.187,1075 14.152,1077 22.579,1078 10.815,1079 2.848,1080 12.147,1081 20.047,1082 -2.341,1083 12.397,1084 15.734,1086 25.082,1087 11.992,1088 2.67,1089 9.331,1090 21.935,1091 4.733,1092 13.524,1093 17.212,1095 27.531,1096 13.082,1097 2.324,1098 8.332,1099 23.832,1100 3.88,1101 14.715,1102 18.769,1104 30.024,1105 14.239,1106 1.994,1107 7.322,1108 25.736,1109 3.249,1110 15.878,1111 20.286,1113 32.499,1114 15.365,1115 1.512,1116 5.746,1117 27.646,1118 3.086,1119 17.068,1120 21.835,1122 34.991,1123 16.52,1124 1.414,1125 4.137,1126 29.561,1127 2.39,1128 18.249,1129 23.37,1131 37.478,1132 17.664,1133 4399,1134 8020,1135 16.819,1136 23.472,1137 37.867,1138 38.535,1139 39.693,1140 37.552,1141 37.548,1142 50.037,1143 0.8,1144 115.014,1145 35.494,1146 5.764,1147 5.401,1148 6.669,1149 5.385,1150 5.35,1151 7.733,1152 0.8,1153 19.676,1154 5.225,1155 9.835,1156 1.515,1157 1.541,1158 1.588,1159 1.502,1160 1.502,1161 2.001,1162 0.032,1163 4.601,1164 1.42,1165 4.144,1166 4.194,1167 4.126,1168 3.998,1169 8.201,1170 4.023,1171 3.859,1172 3.891,1173 3.815,1174 3.742,1175 6.465,1176 3.756,1177 3.732,1178 3.798,1179 3.632,1180 3.552,1181 5.254,1182 3.562,1183 3.252,1184 3.338,1185 3.203,1186 2.993,1187 4.873,1188 3.035,1189 3.021,1190 3.119,1191 2.939,1192 2.746,1193 4.574,1194 2.77,1195 2.931,1196 2.971,1197 2.804,1198 2.72,1199 4.442,1200 2.746,1201 2.813,1202 2.882,1203 2.729,1204 2.588,1205 4.256,1206 2.609,1207 2.524,1208 2.66,1209 2.2,1210 2.274,1211 3.695,1212 2.228,1213 0.191,1214 0.136,1215 0.282,1216 0.172,1217 0.134,1218 4.764,1219 0.189,1220 3.401,1221 0.016,1222 7.051,1223 0.486,1224 4.312,1225 0.129,1226 3.35,1227 4.733,1228 0.4,1229 12.147,1230 3.225,1231 1.924,1232 1.904,1233 2.006,1234 2.078,1235 1.327,1236 2.058,1237 1.844,1238 1.787,1239 1.982,1240 2.012,1241 1.108,1242 2.002,1243 1.684,1244 1.634,1245 1.777,1246 1.876,1247 0.837,1248 1.855,1249 1.17,1250 1.111,1251 1.26,1252 1.47,1253 0.325,1254 1.413,1255 0.89,1256 0.839,1257 1.152,1258 1.231,1259 0.27,1260 1.209,1261 0.883,1262 0.805,1263 1.115,1264 1.138,1265 0.144,1266 1.13,1267 0.777,1268 0.678,1269 1.079,1270 1.092,1271 0.055,1272 1.078,1273 0.585,1274 0.462,1275 1.008,1276 0.895,1278 0.967,1279 3.932,1281 5.333,1282 2.398,1283 6.913,1284 4.844,1285 8.575,1286 7.081,1287 10.28,1291 13.272,1293 5.979,1294 9.594,1295 1.601,1296 3.18,1299 0.194,1305 23.334,1306 62.606,1307 146.405,1308 162.77,1309 167.525,1310 167.525,1311 167.525,1312 36.938,1313 7.153,1314 101.88,1315 101.88,1316 21,1317 12.679,1318 4.087,1319 3.17,1320 29.624,1321 61,1322 64,1323 0.243,1324 140.958,1325 231,1326 335.698,1327 10300,1328 2.9,1329 15.267,1330 0.694,1331 0.522,1332 14.397,1333 11.492,1334 10.648,1335 0.426,1336 0.273,1337 6.689,1338 10.084,1339 6.624,1340 5.42,1341 10.237,1342 6.832,1343 9.931,1344 0.268,1345 0.141,1346 9.436,1347 5.229,1348 8.937,1349 0.169,1350 0.073,1351 8.275,1352 3.844,1353 7.058,1354 0.101,1355 0.034,1356 6.95,1357 2.414,1358 6.013,1359 0.064,1360 0.018,1361 5.813,1362 1.679,1363 0.361,1364 67.973,1365 0.244,1366 21.017,1367 0.735,1368 124,1369 428.486,1370 140.758,1371 390.908,1372 533.21,1373 364,1374 152,1375 401.783,1376 170.363,1377 397.942,1378 590.26,1379 375,1380 5.788}
{0 CHEMBL1242568,1 1.706,2 7.87,3 3.04,4 9.242,5 85.72,6 8.035,7 0.615,8 3.809,9 3.932,10 3.434,11 3.324,12 4.993,13 3.333,14 4.337,15 4.503,16 3.836,17 3.745,18 5.481,19 3.734,20 4.617,21 4.838,22 3.894,23 3.814,24 5.834,25 3.785,26 4.586,27 4.826,28 3.844,29 3.759,30 5.738,31 3.741,32 4.47,33 4.671,34 3.755,35 3.764,36 5.585,37 3.73,38 4.478,39 4.672,40 3.735,41 3.759,42 5.654,43 3.71,44 4.553,45 4.789,46 3.585,47 3.676,48 5.736,49 3.583,50 4.472,51 4.762,52 3.156,53 3.388,54 5.634,55 3.237,56 0.117,57 0.705,58 7.216,59 3.292,60 14.964,61 4.037,62 0.212,63 1.138,64 13.598,65 5.774,66 23.64,67 7.467,68 0.496,69 1.326,70 21.557,71 7.031,72 67.234,73 9.776,74 0.542,75 1.268,76 21.813,77 6.307,78 57.585,79 8.741,80 0.364,81 1.154,82 16.991,83 5.456,84 36.465,85 7.611,86 0.362,87 1.183,88 16.816,89 5.973,90 38.443,91 8.176,92 0.486,93 1.155,94 20.547,95 6.884,96 58.999,97 9.769,98 0.582,99 0.945,100 22.397,101 6.648,102 84.324,103 9.667,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.19,113 0.88,114 -5.02,115 -4.92,116 -4.61,119 41,121 4,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 7,177 1,178 1,180 2,183 6,185 1,186 1,187 7,192 2,195 3,198 2,199 9,201 3,202 3,204 2,207 3,209 1,212 7,215 1,217 3,220 4,222 2,224 4,227 1,229 3,232 6,234 3,237 2,240 2,241 1,242 2,244 1,245 6,247 2,255 2,258 2,268 2,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 12.029,283 9.039,284 15.968,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 8.729,292 4.272,293 13.416,294 3.58,295 1.366,296 0.891,297 0.564,298 0.564,299 0.564,300 3.884,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 30.171,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 181,332 4.763,333 3.394,334 7.05,335 4.31,336 3.347,337 4.733,339 12.146,340 3.225,341 4.218,342 3.165,343 6.261,344 3.802,345 2.843,346 3.88,348 9.314,349 2.721,350 3.878,351 2.79,352 5.971,353 3.611,354 2.651,355 3.243,357 8.322,358 2.541,359 3.68,360 2.452,361 5.68,362 3.272,363 2.324,364 3.086,366 7.318,367 2.19,368 3.239,369 2.041,370 5.078,371 2.948,372 1.994,373 2.365,375 5.689,376 1.898,377 2.996,378 1.868,379 4.469,380 2.449,381 1.513,382 2.231,384 4.136,385 1.412,386 2.82,387 1.534,388 4.235,389 2.365,390 1.414,391 1.948,393 3.533,394 1.333,395 2.638,396 1.408,397 4.038,398 2.306,399 1.342,400 1.684,402 3.509,403 1.29,404 2.442,405 1.082,406 3.662,407 1.972,408 1.035,409 1.423,411 2.565,412 0.966,413 1.857,414 0.724,415 3.249,416 1.66,417 0.683,418 0.784,420 1.743,421 0.666,422 1.618,423 0.618,424 3,425 1.618,426 0.618,427 0.618,428 1.372,429 0.618,430 1.371,431 0.57,432 2.736,433 0.989,434 0.103,435 0.124,436 0.227,437 0.089,438 1.057,439 -0.148,440 2.462,441 0.62,442 -0.292,443 -0.371,445 -0.683,446 -0.266,447 0.781,448 -0.288,449 2.375,450 0.353,451 -0.595,452 -0.769,454 -1.604,455 -0.555,456 0.626,457 -0.703,458 2.333,459 0.136,460 -0.795,461 -1.041,463 -2.197,464 -0.734,465 10.619,466 0.462,467 0.61,468 0.027,469 30.5,470 1.326,471 15,472 0.652,473 15.5,474 0.674,475 17.761,476 0.772,477 24.781,478 0.635,479 21.33,480 0.927,481 5.651,482 0.246,483 5.497,484 0.239,485 0.096,487 0.414,491 1,493 0.752,494 1.075,495 0.719,496 0.971,497 0.728,498 0.863,499 0.613,500 1.087,501 0.731,502 1.086,503 0.511,504 0.969,505 0.792,506 1.141,507 0.828,508 1.031,509 0.636,510 0.951,511 0.992,512 0.835,513 0.882,514 0.726,515 0.887,516 0.75,517 0.834,518 0.919,519 1.065,520 0.96,521 0.586,522 1.021,523 0.749,524 1.024,525 1.107,526 1.205,527 0.714,528 1.225,529 0.676,530 1.002,531 1.089,532 1.241,533 0.772,534 1.264,535 0.852,536 0.7,537 1.053,538 1.014,539 0.961,540 1.082,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 14943,553 2.141,554 41,555 4,556 4,558 1,559 3,561 4,564 1.666,565 2,566 2.981,567 1.075,568 1,569 1,571 1,573 66.521,574 1.706,575 3.919,576 4.394,577 4.721,578 4.721,579 4.721,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,589 1,590 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.33,606 1,607 0.58,608 104.348,609 -0.068,610 -0.013,611 0.023,612 0.062,613 -0.08,614 0.063,615 0.05,616 -0.078,617 0.077,618 -0.069,619 0.073,620 -0.011,621 0.081,622 -0.19,623 0.118,624 -0.062,625 0.177,626 0.019,627 -0.063,628 0.135,629 0.092,630 0.187,631 -0.055,632 0.183,633 -0.151,634 -0.01,635 -0.209,636 -0.033,637 -0.057,638 -0.104,639 -0.025,640 -0.074,641 -0.251,642 -0.243,643 -0.043,644 -0.288,645 0.136,646 -0.122,647 -0.134,648 -0.274,649 0.046,650 -0.276,651 0.15,652 0.106,653 0.041,654 -0.042,655 0.103,656 -0.034,657 2.336,658 5.334,659 0.87,660 16.378,661 1.017,662 1.142,663 3.786,664 14.337,665 0.666,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.65,678 313.37,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 12.8,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 39,733 16,734 1,735 26,737 42,738 16,739 11,740 3,741 3,746 4,747 5,755 5,758 5,761 11,762 5,777 1,778 1,779 1,781 16,782 6,783 3,784 7,790 5,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,846 1,848 23,849 1,853 1,854 4,858 1,869 1,870 2.6,872 1,877 11.5,878 6.893,879 4.944,880 2.449,881 3.077,882 1.423,883 1.004,884 3.421,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.53,900 3.824,901 7.935,902 16.084,904 13.809,905 2.435,906 56,910 153.024,911 68.865,912 84.908,914 42.683,915 14.96,917 68.865,918 195.708,919 99.868,921 10.138,922 61.326,923 106.404,924 28.031,925 17.288,926 141.253,928 153.024,929 153.773,930 57.643,933 120.9,934 89.768,937 25.005,938 78.533,939 50.234,941 167.984,942 127.591,943 68.865,946 153.024,947 31.818,948 38.824,950 140.775,951 153.024,952 142.551,953 68.865,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.048,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 100.042,974 14.401,975 5.463,976 2.34,977 1.327,978 140.775,979 5.562,980 13.069,984 0.407,985 1.899,986 75.581,987 364.441,988 34,999 39.651,1000 44.532,1001 0.323,1002 0.742,1003 0.831,1004 0.893,1005 0.893,1006 0.893,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1014 6.629,1015 4.256,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1032 10.82,1033 5.828,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.288,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1050 15.401,1051 7.724,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.565,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1068 20.188,1069 9.807,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.82,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1086 25.08,1087 11.994,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.085,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1104 30.022,1105 14.24,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.367,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1122 34.989,1123 16.521,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.665,1133 4917,1134 8525,1135 17.512,1136 25.989,1137 39.656,1138 40.365,1139 41.079,1140 39.803,1141 39.736,1142 52.237,1144 119.749,1145 37.894,1146 5.665,1147 5.394,1148 6.646,1149 5.385,1150 5.347,1151 7.733,1153 19.683,1154 5.225,1155 10.157,1156 1.525,1157 1.553,1158 1.58,1159 1.531,1160 1.528,1161 2.009,1163 4.606,1164 1.457,1165 4.144,1166 4.192,1167 4.124,1168 4.003,1169 8.201,1170 4.026,1171 3.865,1172 3.898,1173 3.815,1174 3.764,1175 6.465,1176 3.768,1177 3.776,1178 3.827,1179 3.662,1180 3.65,1181 5.254,1182 3.65,1183 3.287,1184 3.376,1185 3.23,1186 3.015,1187 4.868,1188 3.059,1189 3.044,1190 3.126,1191 2.971,1192 2.82,1193 4.572,1194 2.844,1195 2.932,1196 2.979,1197 2.804,1198 2.746,1199 4.395,1200 2.748,1201 2.869,1202 2.978,1203 2.742,1204 2.671,1205 4.156,1206 2.635,1207 2.864,1208 2.951,1209 2.583,1210 2.6,1211 3.695,1212 2.623,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.394,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1229 12.146,1230 3.225,1231 1.922,1232 1.903,1233 1.985,1234 2.034,1235 1.243,1236 2.014,1237 1.786,1238 1.741,1239 1.889,1240 1.972,1241 1.211,1242 1.949,1243 1.585,1244 1.528,1245 1.86,1246 1.78,1247 1.106,1248 1.793,1249 1.577,1250 1.507,1251 1.744,1252 1.751,1253 0.831,1254 1.773,1255 1.132,1256 1.079,1257 1.247,1258 1.386,1259 0.272,1260 1.358,1261 0.883,1262 0.839,1263 1.152,1264 1.231,1265 0.148,1266 1.208,1267 0.872,1268 0.781,1269 1.114,1270 1.134,1271 0.094,1272 1.13,1273 0.761,1274 0.669,1275 0.995,1276 1.06,1277 0.077,1278 1.049,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1291 13.334,1293 6.033,1294 9.649,1295 4.433,1299 0.287,1305 25.366,1306 66.521,1307 152.846,1308 171.376,1309 184.131,1310 184.131,1311 184.131,1312 40.356,1313 7.274,1314 89.85,1315 89.85,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 153.348,1325 254.6,1326 365.93,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.539,1332 15.104,1333 12.407,1334 11.148,1335 0.429,1336 0.293,1337 7.506,1338 10.655,1339 7.418,1340 6.097,1341 10.737,1342 7.625,1343 10.285,1344 0.271,1345 0.154,1346 9.789,1347 5.855,1348 9.187,1349 0.17,1350 0.082,1351 8.525,1352 4.408,1353 7.78,1354 0.104,1355 0.043,1356 7.672,1357 3.261,1358 6.179,1359 0.064,1360 0.02,1361 5.979,1362 1.911,1363 0.357,1364 70.473,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 418.153,1370 143.371,1371 382.408,1372 523.29,1373 356,1374 156,1375 396.657,1376 172.642,1377 393.016,1378 582.7,1379 371,1380 6.28}
{0 CHEMBL1242569,1 1.617,2 9.208,3 2.633,4 6.931,5 94.234,6 7.568,7 0.615,8 3.874,9 3.998,10 3.455,11 3.338,12 5.051,13 3.346,14 4.365,15 4.543,16 3.785,17 3.669,18 5.47,19 3.672,20 4.49,21 4.668,22 3.896,23 3.78,24 5.616,25 3.78,26 4.555,27 4.735,28 3.915,29 3.859,30 5.704,31 3.838,32 4.654,33 4.856,34 3.803,35 3.898,36 5.707,37 3.836,38 4.66,39 4.884,40 3.695,41 3.843,42 5.699,43 3.753,44 4.62,45 4.887,46 3.547,47 3.69,48 5.624,49 3.575,50 4.433,51 4.694,52 3.311,53 3.442,54 5.441,55 3.34,56 0.073,57 0.659,58 8.711,59 3.523,60 10.943,61 4.65,62 0.296,63 0.972,64 16.515,65 5.458,66 24.378,67 7.357,68 0.373,69 1.101,70 18.762,71 5.959,72 28.082,73 8.303,74 0.336,75 1.213,76 19.399,77 6.572,78 29.7,79 9.044,80 0.386,81 1.243,82 22.505,83 7.341,84 33.315,85 10.372,86 0.389,87 1.203,88 23.192,89 7.563,90 36.823,91 11.023,92 0.436,93 1.052,94 23.948,95 7.611,96 44.101,97 11.555,98 0.443,99 0.832,100 20.282,101 5.885,102 40.945,103 8.767,104 30,105 36,106 0.281,107 0.678,108 0.845,109 0.872,110 0.872,111 0.872,112 3.229,113 0.875,114 -4.3,115 -4.24,116 -4,119 39.5,120 1,124 1,125 2,134 1,135 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 9,177 1,178 1,180 1,183 3,185 1,186 2,187 9,195 3,198 2,199 9,201 3,202 3,204 1,207 3,209 1,211 1,212 8,217 2,220 4,222 2,223 2,224 4,229 2,232 4,234 2,236 3,237 1,239 1,240 1,242 1,245 3,247 1,249 2,250 2,252 1,253 1,258 2,263 3,275 804,276 16.593,277 16.593,278 16.593,279 16.593,280 16.593,281 14.608,282 18.642,283 9.916,284 17.222,285 12.706,286 12.706,287 12.706,288 12.706,289 12.706,290 9.564,291 21.772,292 4.412,293 13.547,294 3.809,295 1.526,296 0.564,297 0.407,298 0.407,299 0.407,300 3.91,303 1,304 1,305 1,306 463,307 3,310 49.269,311 131.815,314 93.712,318 1.309,319 21.634,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 221,332 4.746,333 3.358,334 7.002,335 4.281,336 3.315,337 4.724,338 0.86,339 11.958,340 3.202,341 4.26,342 3.183,343 6.209,344 3.834,345 2.886,346 3.916,347 0.86,348 9.266,349 2.732,350 3.745,351 2.554,352 5.908,353 3.359,354 2.409,355 3.158,356 0.522,357 8.129,358 2.278,359 3.683,360 2.447,361 5.584,362 3.257,363 2.317,364 3.102,366 7.114,367 2.175,368 3.017,369 2.245,370 4.535,371 2.567,372 1.669,373 2.257,375 4.446,376 1.493,377 2.933,378 1.766,379 4.487,380 2.476,381 1.541,382 2.069,384 4.159,385 1.439,386 2.891,387 1.591,388 4.349,389 2.449,390 1.497,391 1.972,393 3.969,394 1.42,395 2.581,396 1.377,397 3.689,398 2.065,399 1.134,400 1.557,402 2.615,403 1.048,404 2.434,405 1.141,406 3.241,407 1.96,408 1,409 1.303,411 1.903,412 0.954,413 2.179,414 1.005,415 3.129,416 1.825,417 0.868,418 1.127,420 1.591,421 0.828,422 1.662,423 0.939,424 2.762,425 1.384,426 0.502,427 0.568,428 0.781,429 0.438,430 1.169,431 0.229,432 2.681,433 0.815,434 -0.108,435 -0.123,436 -0.182,437 -0.098,438 1.104,439 -0.074,440 2.422,441 0.705,442 -0.223,443 -0.291,445 -0.457,446 -0.206,447 0.956,448 -0.349,449 2.255,450 0.465,451 -0.474,452 -0.655,454 -0.891,455 -0.443,456 0.61,457 -0.491,458 2.198,459 0.228,460 -0.724,461 -0.884,463 -1.455,464 -0.689,465 11.167,466 0.465,467 0.483,468 0.02,469 32.5,470 1.354,471 16.5,472 0.688,473 16,474 0.667,475 17.387,476 0.724,477 26.033,478 0.605,479 24.428,480 1.018,481 6.692,482 0.279,483 4.998,484 0.208,485 0.17,487 0.349,493 0.909,494 1.375,495 0.774,496 1.181,497 1.092,498 0.985,499 1.258,500 1,501 0.797,502 0.838,503 0.916,504 0.758,505 1.175,506 1.177,507 0.812,508 0.89,509 0.942,510 0.803,511 1.027,512 1.097,513 0.98,514 1.062,515 0.9,516 1.018,517 1.184,518 1.121,519 1.158,520 1.08,521 1.006,522 1.108,523 0.934,524 1.135,525 1.142,526 1.176,527 1.128,528 1.19,529 0.581,530 0.97,531 0.87,532 1.047,533 0.755,534 1.016,535 1.049,536 0.891,537 1.024,538 0.967,539 1.015,540 0.993,541 4,542 0.037,543 2.889,544 2.042,545 1.762,546 0.921,547 0.586,548 0.439,549 0.208,550 0.142,551 5451,552 15215,553 2.04,554 44.2,556 13,558 1,559 2,561 3,564 1.675,565 1.895,566 3.162,567 0.337,568 1,569 1,571 1,573 69.522,574 1.617,575 3.9,576 4.862,577 5.019,578 5.019,579 5.019,580 2.642,581 4.502,582 4.551,583 3.273,584 903.471,585 7.893,586 10276.2,588 1,590 1,591 233.329,592 1.459,593 4.507,594 0.154,595 0.005,596 0.08,597 0.051,598 0.044,599 0.026,600 0.02,601 0.018,602 0.011,603 0.011,604 0.419,605 0.17,606 1,607 1.296,608 111.931,609 -0.017,610 -0.159,611 0.062,612 -0.117,613 -0.178,614 -0.028,615 -0.067,616 0.085,617 0.149,618 0.154,619 0.009,620 0.179,621 0.001,622 -0.096,623 0.133,624 0.099,625 0.038,626 0.134,627 -0.027,628 0.041,629 -0.069,630 -0.081,631 0.045,632 -0.088,633 -0.184,634 -0.066,635 -0.223,636 -0.089,637 -0.116,638 -0.151,639 -0.041,640 -0.122,641 -0.196,642 -0.19,643 -0.136,644 -0.215,645 0.255,646 -0.067,647 0.127,648 -0.066,649 0.208,650 -0.003,651 0.084,652 -0.005,653 0.012,654 -0.021,655 0.08,656 -0.018,657 1.279,658 2.066,659 0.625,660 19.625,661 1.008,662 1.135,663 3.071,664 9.429,665 0.657,666 3.296,667 3.611,668 3.951,669 4.277,670 4.522,671 4.635,672 4.771,673 4.883,674 4.898,675 4.86,676 5.359,677 0.633,678 325.41,679 3.296,680 4.828,681 5.7,682 6.6,683 7.501,684 8.412,685 9.323,686 10.239,687 11.155,688 12.074,689 11.6,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 43,733 17,734 1,735 26,737 45,738 17,739 11,740 3,741 3,746 3,747 4,752 1,761 13,762 4,766 1,767 1,773 1,777 1,778 1,781 19,782 6,783 2,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,830 1,831 1,840 2,844 2,848 24,849 1,854 2,856 2,870 4.7,875 2,877 12.667,878 8.383,879 5.583,880 2.48,881 3.228,882 1.452,883 0.972,884 4.786,885 10.366,886 3.584,887 4.216,888 4.904,889 5.586,890 6.168,891 6.575,892 7.047,893 7.493,894 7.782,895 8.06,896 1,897 40,898 8.785,900 3.605,901 7.736,902 16.59,904 12.975,905 2.236,906 53.667,909 1,910 200.109,911 111.742,912 84.908,914 22,917 111.742,918 222.109,919 84.908,920 19.708,921 22.465,922 70.802,923 63.72,924 51.397,925 2.328,926 188.338,928 200.109,929 196.65,930 22,933 164.795,934 57.313,937 30.391,938 106.549,939 59.71,941 200.109,942 106.908,943 111.742,946 200.109,947 29.743,948 68.008,950 120.898,951 200.109,952 106.908,953 111.742,955 0.561,956 0.351,957 0.212,958 0.122,959 17,960 8,961 0.133,962 6,963 1,964 1.133,965 3.464,966 199.824,967 0.133,968 15,969 110.039,974 16.43,975 6.991,976 3.015,977 1.385,978 105.131,979 7.078,980 13.018,984 3.257,985 1.749,986 32.897,987 418.759,988 35,989 3.755,995 1.757,999 43.349,1000 48.817,1001 0.298,1002 0.719,1003 0.896,1004 0.925,1005 0.925,1006 0.925,1007 4.804,1008 1.134,1009 5.687,1010 3.969,1011 4.29,1012 4.902,1013 1.505,1014 6.555,1015 4.179,1016 6.026,1017 1,1018 7.277,1019 2.615,1020 3.892,1021 4.808,1023 7.585,1024 3.751,1025 7.352,1026 0.868,1027 8.974,1028 1.903,1029 5.922,1030 7.217,1031 1.205,1032 10.74,1033 5.724,1034 8.726,1035 0.502,1036 10.734,1037 1.591,1038 6.399,1039 8.016,1041 12.626,1042 6.174,1043 10.137,1044 -0.108,1045 12.534,1046 0.781,1047 7.881,1048 9.883,1049 0.978,1050 15.303,1051 7.615,1052 11.577,1053 -0.223,1054 14.361,1055 -0.182,1056 8.753,1057 11.089,1059 17.535,1060 8.457,1061 13.038,1062 -0.474,1063 16.209,1064 -0.457,1065 10.031,1066 12.75,1067 0.792,1068 20.065,1069 9.7,1070 3.315,1071 -0.724,1072 18.071,1073 -0.891,1074 11.078,1075 14.142,1077 22.441,1078 10.715,1079 2.886,1080 11.958,1081 19.946,1082 -1.455,1083 12.285,1084 15.724,1085 0.636,1086 24.927,1087 11.89,1088 2.409,1089 9.266,1090 21.831,1091 4.724,1092 13.407,1093 17.2,1095 27.362,1096 12.981,1097 2.317,1098 8.129,1099 23.723,1100 3.916,1101 14.593,1102 18.755,1103 0.504,1104 29.839,1105 14.135,1106 1.669,1107 7.114,1108 25.623,1109 3.158,1110 15.75,1111 20.269,1113 32.298,1114 15.259,1115 1.541,1116 4.446,1117 27.529,1118 3.102,1119 16.932,1120 21.816,1121 0.395,1122 34.774,1123 16.41,1124 1.497,1125 4.159,1126 29.439,1127 2.257,1128 18.105,1129 23.348,1131 37.245,1132 17.551,1133 5496,1134 9309,1135 17.107,1136 28.267,1137 38.646,1138 39.131,1139 40.882,1140 38.266,1141 38.277,1142 51.506,1143 4.483,1144 111.861,1145 36.014,1146 5.471,1147 5.358,1148 6.768,1149 5.353,1150 5.315,1151 7.724,1152 1.72,1153 19.331,1154 5.202,1155 12.482,1156 1.486,1157 1.505,1158 1.572,1159 1.472,1160 1.472,1161 1.981,1162 0.172,1163 4.302,1164 1.385,1165 4.13,1166 4.175,1167 4.113,1168 3.991,1169 5.258,1170 4.014,1171 3.858,1172 3.879,1173 3.815,1174 3.734,1175 4.94,1176 3.752,1177 3.557,1178 3.626,1179 3.44,1180 3.417,1181 4.846,1182 3.409,1183 3.465,1184 3.535,1185 3.292,1186 3.26,1187 4.678,1188 3.252,1189 3.279,1190 3.347,1191 3.155,1192 3.015,1193 4.493,1194 3.044,1195 3.195,1196 3.279,1197 3.039,1198 2.932,1199 4.478,1200 2.946,1201 3.01,1202 3.109,1203 2.898,1204 2.767,1205 4.223,1206 2.79,1207 2.825,1208 2.903,1209 2.675,1210 2.637,1211 3.745,1212 2.628,1213 0.183,1214 0.129,1215 0.269,1216 0.165,1217 0.128,1218 4.746,1219 0.182,1220 3.358,1221 0.033,1222 7.002,1223 0.46,1224 4.281,1225 0.123,1226 3.315,1227 4.724,1228 0.86,1229 11.958,1230 3.202,1231 1.926,1232 1.91,1233 1.995,1234 2.037,1235 1.133,1236 2.02,1237 1.785,1238 1.742,1239 1.89,1240 1.979,1241 0.997,1242 1.954,1243 1.593,1244 1.536,1245 1.797,1246 1.794,1247 0.93,1248 1.791,1249 1.456,1250 1.383,1251 1.744,1252 1.689,1253 0.78,1254 1.718,1255 1.226,1256 1.162,1257 1.571,1258 1.523,1259 0.573,1260 1.536,1261 1.147,1262 1.069,1263 1.341,1264 1.425,1265 0.262,1266 1.413,1267 0.93,1268 0.859,1269 1.157,1270 1.215,1271 0.16,1272 1.204,1273 0.813,1274 0.729,1275 1.149,1276 1.135,1277 0.131,1278 1.144,1279 3.97,1281 5.283,1282 2.398,1283 6.815,1284 4.844,1285 8.452,1286 7.066,1287 10.146,1289 3.531,1293 6.066,1295 1.092,1297 10.979,1305 27.224,1306 69.522,1307 167.704,1308 209.065,1309 215.82,1310 215.82,1311 215.82,1312 34.557,1313 7.137,1314 88.08,1315 88.08,1316 17,1317 12.584,1318 4.17,1319 3.322,1320 39.006,1321 75,1322 90,1323 0.26,1324 170.205,1325 284.34,1326 407.06,1327 10280,1329 17.104,1330 0.713,1331 0.57,1332 17.104,1333 13.691,1334 11.689,1335 0.45,1336 0.292,1337 7.427,1338 11.067,1339 7.216,1340 6.041,1341 11.689,1342 7.583,1343 9.888,1344 0.275,1345 0.141,1346 9.888,1347 5.076,1348 8.652,1349 0.17,1350 0.071,1351 8.652,1352 3.598,1353 7.666,1354 0.108,1355 0.036,1356 7.666,1357 2.572,1358 6.307,1359 0.069,1360 0.019,1361 6.307,1362 1.731,1363 0.393,1364 74.34,1365 0.242,1366 22.901,1367 0.759,1368 124,1369 391.364,1370 139.525,1371 373.201,1372 520.68,1373 352,1374 149,1375 396.941,1376 165.886,1377 398.773,1378 587.42,1379 374,1380 5.721}
{0 CHEMBL1242572,1 1.489,2 7.958,3 2.883,4 8.311,5 93.575,6 7.79,7 0.714,8 3.866,9 4.004,10 3.492,11 3.404,12 4.965,13 3.402,14 4.405,15 4.58,16 3.884,17 3.845,18 5.434,19 3.819,20 4.64,21 4.874,22 3.872,23 3.904,24 5.587,25 3.845,26 4.618,27 4.863,28 3.877,29 3.848,30 5.652,31 3.807,32 4.524,33 4.745,34 3.764,35 3.825,36 5.524,37 3.774,38 4.488,39 4.687,40 3.752,41 3.82,42 5.529,43 3.761,44 4.58,45 4.825,46 3.618,47 3.776,48 5.565,49 3.674,50 4.516,51 4.814,52 3.248,53 3.554,54 5.372,55 3.396,56 0.086,57 0.723,58 7.985,59 3.216,60 9.403,61 4.324,62 0.154,63 1.169,64 15.04,65 5.759,66 16.361,67 8.008,68 0.197,69 1.326,70 21.755,71 7.229,72 22.467,73 10.703,74 0.358,75 1.303,76 21.847,77 6.402,78 33.744,79 9.569,80 0.256,81 1.212,82 18.776,83 5.752,84 26.32,85 8.37,86 0.197,87 1.193,88 17.141,89 5.948,90 23.211,91 8.447,92 0.283,93 1.193,94 20.833,95 6.938,96 34.327,97 10.174,98 0.304,99 0.992,100 21.975,101 6.839,102 34.24,103 10.446,104 2,105 41,106 0.257,107 0.658,108 0.78,109 0.834,110 0.834,111 0.834,112 3.231,113 0.883,114 -4.58,115 -4.5,116 -4.23,119 41.5,121 4,127 1,142 3,143 3,146 2,147 1,148 1,151 1,161 1,163 1,164 1,165 1,166 1,168 1,172 7,174 2,175 9,177 1,178 1,180 2,183 8,185 1,186 1,187 9,192 2,195 4,198 2,199 10,201 3,202 3,204 3,207 3,209 1,211 1,212 9,217 2,220 5,222 2,223 1,224 5,227 1,229 4,232 6,234 3,236 2,237 4,239 1,240 2,242 3,245 6,247 3,250 2,253 2,254 1,257 1,258 4,263 2,268 2,271 2,275 760,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.548,282 9.487,283 9.779,284 17.101,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.422,291 7.5,292 4.637,293 14.364,294 3.869,295 1.552,296 0.848,297 0.537,298 0.537,299 0.537,300 3.945,303 1,304 1,305 1,306 437,307 2.121,310 139.283,311 102.98,314 160.199,318 1.135,319 17.056,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 191,332 4.766,333 3.389,334 7.051,335 4.312,336 3.349,337 4.738,339 12.147,340 3.229,341 4.415,342 2.95,343 6.293,344 3.916,345 2.936,346 4.353,348 9.503,349 2.873,350 3.904,351 2.766,352 6.145,353 3.645,354 2.677,355 3.312,357 8.961,358 2.591,359 3.761,360 2.405,361 5.751,362 3.347,363 2.38,364 3.198,366 7.634,367 2.301,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.366,375 5.69,376 1.899,377 3.051,378 1.552,379 4.519,380 2.515,381 1.552,382 2.322,384 4.384,385 1.503,386 3.033,387 1.533,388 4.333,389 2.492,390 1.533,391 2.3,393 4.052,394 1.457,395 2.654,396 1.41,397 4.234,398 2.308,399 1.345,400 1.72,402 3.529,403 1.292,404 2.601,405 1.154,406 3.672,407 2.095,408 1.151,409 1.636,411 2.661,412 1.084,413 2.411,414 0.973,415 3.431,416 1.923,417 0.966,418 1.376,420 2.308,421 0.922,422 1.911,423 0.702,424 3.248,425 1.663,426 0.683,427 0.792,428 1.74,429 0.668,430 1.837,431 0.618,432 3.036,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.4,440 3,441 1.368,442 0.395,443 0.584,445 0.983,446 0.384,447 1.061,448 -0.153,449 2.652,450 0.629,451 -0.286,452 -0.364,454 -0.672,455 -0.261,456 0.846,457 -0.589,458 2.461,459 0.376,460 -0.59,461 -0.817,463 -1.644,464 -0.568,465 11.3,466 0.471,467 0.534,468 0.022,469 33,470 1.375,471 16.5,472 0.688,473 16.5,474 0.688,475 18.359,476 0.765,477 24.7,478 0.602,479 21.645,480 0.902,481 6.02,482 0.251,483 5.789,484 0.241,485 0.035,487 0.389,493 0.839,494 1.147,495 0.735,496 0.941,497 0.917,498 0.842,499 0.795,500 1.154,501 0.803,502 1.024,503 0.603,504 0.934,505 0.924,506 1.197,507 0.863,508 1.041,509 0.69,510 0.96,511 1.084,512 0.911,513 0.872,514 0.795,515 0.956,516 0.799,517 1.357,518 1.015,519 1.112,520 0.934,521 1.163,522 0.975,523 1.11,524 1.206,525 1.156,526 1.209,527 1.347,528 1.193,529 0.922,530 1.052,531 1.145,532 1.193,533 1.328,534 1.203,535 0.846,536 0.853,537 1.056,538 1.03,539 1.052,540 1.068,541 3.5,543 2.889,544 1.764,545 1.522,546 0.716,547 0.469,548 0.348,549 0.148,550 0.047,551 6351,552 14940,553 2.262,554 41.5,555 4,556 4,557 1,558 1,559 3,561 4,564 1.676,565 2.182,566 3.02,567 1.039,568 1,569 1,571 1,573 61.034,574 1.489,575 3.805,576 4.51,577 4.821,578 4.821,579 4.821,580 2.44,581 4.22,582 4.558,583 3.145,584 868.043,585 7.902,586 9735.16,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.125,596 0.07,597 0.045,598 0.039,599 0.02,600 0.014,601 0.012,602 0.008,603 0.005,604 0.339,605 0.33,606 0.88,607 0.382,608 110.695,609 0.07,610 0.047,611 0.066,612 0.052,613 -0.007,614 0.057,615 0.093,616 -0.046,617 0.056,618 -0.025,619 0.164,620 0.003,621 0.003,622 -0.213,623 0.095,624 -0.053,625 0.142,626 0.02,627 0.06,628 0.105,629 0.115,630 0.135,631 0.103,632 0.134,633 -0.28,634 0.044,635 -0.178,636 0.008,637 -0.175,638 -0.055,639 -0.138,640 -0.134,641 -0.261,642 -0.241,643 -0.223,644 -0.265,645 0.039,646 -0.081,647 -0.174,648 -0.218,649 -0.14,650 -0.228,651 0.088,652 -0.004,653 0.004,654 -0.041,655 0.012,656 -0.033,657 1.193,658 2.173,659 0.958,660 17.167,661 1.003,662 1.136,663 3.347,664 11.2,665 0.679,666 3.367,667 3.738,668 4.111,669 4.466,670 4.682,671 4.883,672 5.081,673 5.268,674 5.328,675 5.384,676 5.036,677 0.653,678 319.41,679 3.367,680 4.934,681 5.832,682 6.746,683 7.662,684 8.584,685 9.507,686 10.433,687 11.359,688 12.288,689 17.1,693 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,722 1,731 41,733 20,734 1,735 28,737 45,738 17,739 12,740 3,741 3,746 5,747 7,755 5,758 5,761 12,762 5,777 1,778 1,781 17,782 5,783 3,784 7,790 7,794 0.6,803 2,806 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,877 11,878 7.333,879 5.111,880 2.63,881 3.983,882 1.515,883 1.079,884 3.068,885 11.719,886 3.664,887 4.363,888 5.091,889 5.796,890 6.355,891 6.837,892 7.362,893 7.89,894 8.22,895 8.651,896 1,897 39,898 8.847,900 3.917,901 7.563,902 17.239,904 15.026,905 2.063,906 49.5,909 1,910 164.795,911 73.509,912 118.234,917 73.509,918 164.795,919 118.234,921 10.138,922 70.373,923 80.383,924 40.291,925 14.099,926 141.253,928 164.795,929 191.742,933 117.711,934 47.084,937 43.812,938 81.033,939 66.897,941 164.795,942 118.234,943 73.509,946 164.795,947 27.414,948 47.871,949 16.663,950 99.794,951 164.795,952 118.234,953 73.509,955 0.589,956 0.362,957 0.212,958 0.108,959 24,960 9,961 0.044,962 2,963 2,964 1.174,965 3.633,966 219.375,967 0.174,968 23,969 104.039,974 13.937,975 5.283,976 2.139,977 3.639,978 99.794,979 9.51,980 17.809,981 2.89,984 2.291,985 2.046,986 49.56,987 356.538,988 38,999 41.131,1000 46.564,1001 0.278,1002 0.71,1003 0.842,1004 0.9,1005 0.9,1006 0.9,1007 4.913,1008 1.345,1009 5.826,1010 4.052,1011 4.419,1012 5.05,1014 6.706,1015 4.351,1016 6.145,1017 1.151,1018 7.419,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.908,1025 7.481,1026 0.966,1027 9.116,1028 2.661,1029 6.066,1030 7.401,1032 10.895,1033 5.935,1034 8.863,1035 0.683,1036 10.877,1037 2.308,1038 6.553,1039 8.224,1041 12.785,1042 6.39,1043 10.282,1044 0.618,1045 12.678,1046 1.74,1047 8.038,1048 10.1,1050 15.47,1051 7.843,1052 11.728,1053 0.395,1054 14.509,1055 1.372,1056 8.916,1057 11.326,1059 17.706,1060 8.688,1061 13.194,1062 -0.286,1063 16.359,1064 0.983,1065 10.195,1066 12.989,1068 20.243,1069 9.935,1070 3.349,1071 -0.59,1072 18.225,1073 -0.672,1074 11.245,1075 14.392,1077 22.624,1078 10.949,1079 2.936,1080 12.147,1081 20.102,1082 -1.644,1083 12.454,1084 15.973,1086 25.12,1087 12.123,1088 2.677,1089 9.503,1090 21.99,1091 4.738,1092 13.579,1093 17.452,1095 27.562,1096 13.212,1097 2.38,1098 8.961,1099 23.885,1100 4.353,1101 14.768,1102 19.004,1104 30.05,1105 14.365,1106 1.996,1107 7.634,1108 25.787,1109 3.312,1110 15.928,1111 20.516,1113 32.52,1114 15.488,1115 1.552,1116 5.69,1117 27.695,1118 3.198,1119 17.114,1120 22.058,1122 35.008,1123 16.637,1124 1.533,1125 4.384,1126 29.608,1127 2.366,1128 18.292,1129 23.586,1131 37.491,1132 17.777,1133 5770,1134 9007,1135 19.592,1136 27.847,1137 43.113,1138 43.039,1139 43.439,1140 43.235,1141 43.162,1142 58.631,1144 129.925,1145 41.644,1146 5.668,1147 5.389,1148 6.646,1149 5.387,1150 5.349,1151 7.738,1153 19.687,1154 5.229,1155 5.845,1156 1.54,1157 1.537,1158 1.551,1159 1.544,1160 1.541,1161 2.094,1163 4.64,1164 1.487,1165 4.172,1166 4.217,1167 4.149,1168 4.051,1169 5.26,1170 4.068,1171 4.017,1172 4.068,1173 3.982,1174 3.869,1175 5.088,1176 3.89,1177 3.793,1178 3.851,1179 3.667,1180 3.675,1181 4.855,1182 3.667,1183 3.41,1184 3.482,1185 3.349,1186 3.213,1187 4.529,1188 3.238,1189 3.226,1190 3.322,1191 3.142,1192 2.941,1193 4.313,1194 2.981,1195 2.993,1196 3.093,1197 2.886,1198 2.8,1199 4.145,1200 2.803,1201 2.889,1202 2.979,1203 2.761,1204 2.69,1205 3.772,1206 2.705,1207 2.869,1208 2.964,1209 2.583,1210 2.671,1211 3.656,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.766,1219 0.169,1220 3.389,1222 7.051,1223 0.434,1224 4.312,1225 0.115,1226 3.349,1227 4.738,1229 12.147,1230 3.229,1231 1.959,1232 1.939,1233 2.025,1234 2.04,1235 1.244,1236 2.031,1237 1.8,1238 1.756,1239 1.893,1240 1.982,1241 1.211,1242 1.96,1243 1.597,1244 1.54,1245 1.86,1246 1.786,1247 1.174,1248 1.793,1249 1.577,1250 1.507,1251 1.757,1252 1.751,1253 0.875,1254 1.782,1255 1.363,1256 1.284,1257 1.524,1258 1.696,1259 0.494,1260 1.649,1261 1.134,1262 1.068,1263 1.243,1264 1.385,1265 0.239,1266 1.359,1267 0.906,1268 0.827,1269 1.146,1270 1.228,1271 0.168,1272 1.213,1273 0.812,1274 0.736,1275 1.096,1276 1.07,1277 0.094,1278 1.069,1279 4.043,1281 5.398,1282 3.434,1283 6.948,1284 5.733,1285 8.592,1286 7.803,1287 10.289,1293 6.173,1295 4.749,1299 0.393,1305 26.784,1306 61.034,1307 156.011,1308 184.905,1309 197.66,1310 197.66,1311 197.66,1312 28.055,1313 7.736,1314 98.3,1315 98.3,1316 27,1317 12.792,1318 4.392,1319 3.459,1320 30.081,1321 71,1322 66,1323 0.208,1324 161.014,1325 253.14,1326 384.635,1327 22600,1329 16.096,1330 0.671,1331 0.546,1332 16.096,1333 13.106,1334 11.81,1335 0.422,1336 0.294,1337 8.126,1338 11.355,1339 8.016,1340 6.601,1341 11.81,1342 8.237,1343 10.782,1344 0.263,1345 0.155,1346 10.782,1347 6.348,1348 9.878,1349 0.165,1350 0.082,1351 9.878,1352 4.898,1353 8.93,1354 0.104,1355 0.043,1356 8.93,1357 3.682,1358 6.856,1359 0.064,1360 0.02,1361 6.856,1362 2.158,1363 0.312,1364 73.955,1365 0.226,1366 22.753,1367 0.622,1368 138,1369 353.871,1370 150.545,1371 351.932,1372 506.33,1373 332,1374 170,1375 405.463,1376 184.543,1377 408.757,1378 606.34,1379 387,1380 7.086}
{0 CHEMBL1242573,1 1.654,2 7.391,3 2.413,4 5.82,5 86.545,6 8.415,7 0.769,8 3.77,9 3.907,10 3.44,11 3.268,12 4.997,13 3.291,14 4.266,15 4.443,16 3.846,17 3.666,18 5.462,19 3.685,20 4.446,21 4.642,22 3.901,23 3.752,24 5.657,25 3.763,26 4.534,27 4.752,28 3.921,29 3.754,30 5.83,31 3.752,32 4.452,33 4.672,34 3.692,35 3.687,36 5.62,37 3.651,38 4.36,39 4.554,40 3.709,41 3.631,42 5.586,43 3.604,44 4.476,45 4.737,46 3.552,47 3.538,48 5.743,49 3.463,50 4.303,51 4.609,52 3.212,53 3.212,54 5.421,55 3.127,56 0.133,57 0.719,58 6.149,59 2.747,60 10.299,61 3.372,62 0.254,63 1.121,64 12.072,65 4.61,66 22.843,67 6.01,68 0.342,69 1.298,70 15.47,71 5.253,72 28.845,73 6.802,74 0.551,75 1.361,76 18.225,77 5.744,78 50.666,79 7.709,80 0.46,81 1.178,82 16.717,83 5.319,84 45.508,85 7.042,86 0.318,87 1.139,88 13.598,89 5.111,90 26.048,91 6.778,92 0.584,93 1.105,94 19.395,95 5.738,96 71.043,97 8.356,98 0.459,99 0.863,100 19.603,101 5.566,102 49.193,103 7.952,104 18,105 39,106 0.293,107 0.72,108 0.82,109 0.83,110 0.83,111 0.83,112 3.191,113 0.829,114 -4.48,115 -4.41,116 -4.15,119 40.5,120 2,127 1,142 2,143 3,144 1,146 2,147 1,148 1,151 1,161 1,163 1,164 1,165 1,166 1,168 1,172 2,174 2,175 9,177 1,178 1,180 2,183 5,185 1,186 1,187 6,192 1,195 3,198 2,199 7,201 3,202 3,204 3,207 2,209 1,211 1,212 6,217 2,220 3,222 2,223 1,224 3,227 1,229 3,232 4,234 2,236 2,237 2,239 1,240 2,242 1,247 1,250 2,253 2,254 1,257 1,258 2,268 2,275 663,276 15.43,277 15.43,278 15.43,279 15.43,280 15.43,281 13.141,282 11.114,283 8.772,284 15.807,285 12.822,286 12.822,287 12.822,288 12.822,289 12.822,290 9.285,291 8.162,292 4.117,293 13.441,294 3.556,295 1.146,296 0.581,297 0.527,298 0.527,299 0.527,300 3.883,303 1,304 1,305 1,306 373,307 2.739,310 85.839,311 99.551,314 155.018,318 1.07,319 26.808,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51,331 170,332 4.768,333 3.392,334 7.042,335 4.31,336 3.345,337 4.744,339 12.098,340 3.229,341 4.516,342 3.213,343 6.503,344 4.018,345 3.049,346 4.468,348 10.159,349 2.949,350 3.853,351 2.678,352 6.118,353 3.518,354 2.561,355 3.301,357 8.678,358 2.45,359 3.746,360 2.424,361 5.73,362 3.333,363 2.371,364 3.18,366 7.499,367 2.278,368 3.414,369 2.353,370 5.058,371 2.926,372 1.993,373 2.791,375 5.764,376 1.842,377 3.053,378 1.821,379 4.82,380 2.684,381 1.743,382 2.323,384 4.819,385 1.637,386 3.009,387 1.547,388 4.539,389 2.492,390 1.547,391 2.134,393 4.324,394 1.457,395 2.649,396 1.186,397 3.888,398 2.11,399 1.169,400 1.719,402 2.85,403 1.097,404 2.471,405 1,406 3.63,407 1.962,408 1,409 1.458,411 2.456,412 0.96,413 2.18,414 0.934,415 3.443,416 1.793,417 0.827,418 1.081,420 2.084,421 0.796,422 2.055,423 0.807,424 3.394,425 1.58,426 0.642,427 0.89,428 1.683,429 0.596,430 1.072,431 0.046,432 2.692,433 0.631,434 -0.286,435 -0.366,436 -0.673,437 -0.262,438 1.049,439 -0.155,440 2.572,441 0.581,442 -0.334,443 -0.443,445 -0.869,446 -0.297,447 0.745,448 -0.625,449 2.419,450 0.287,451 -0.666,452 -0.897,454 -1.919,455 -0.63,456 0.553,457 -0.815,458 2.253,459 0.054,460 -0.885,461 -1,463 -2,464 -0.827,465 10.586,466 0.46,467 0.699,468 0.03,469 32.25,470 1.402,471 16.5,472 0.717,473 15.75,474 0.685,475 17.071,476 0.742,477 24.214,478 0.654,479 22.891,480 0.995,481 6.265,482 0.272,483 4.794,484 0.208,485 0.159,487 0.463,491 1,493 0.693,494 1.084,495 0.671,496 0.959,497 0.676,498 0.833,499 0.717,500 1.057,501 0.612,502 0.878,503 0.563,504 0.745,505 1.072,506 1.219,507 0.862,508 0.988,509 0.921,510 0.887,511 0.923,512 0.97,513 0.893,514 0.942,515 0.953,516 0.917,517 1.091,518 0.958,519 1.168,520 1.011,521 0.971,522 1.08,523 0.802,524 1.219,525 1.04,526 1.345,527 0.905,528 1.276,529 0.729,530 0.808,531 1.059,532 1.081,533 0.87,534 1.144,535 1.135,536 1.02,537 0.876,538 0.913,539 1.239,540 0.865,541 4.5,543 3.111,544 2.229,545 1.998,546 0.747,547 0.662,548 0.421,549 0.194,550 0.056,551 5060,552 15143,553 2.115,554 37.8,556 3,557 1,558 1,559 3,561 6,564 1.665,565 1.944,566 2.926,567 1.118,568 1,569 1,571 1,573 61.192,574 1.654,575 4.063,576 4.628,577 4.682,578 4.682,579 4.682,580 2.225,581 4.056,582 4.499,583 3.044,584 770.152,585 7.785,586 8399.73,587 1,588 1,590 1,591 192.75,592 1.491,593 4.44,594 0.173,596 0.08,597 0.056,598 0.051,599 0.024,600 0.021,601 0.018,602 0.011,603 0.009,604 0.443,605 0.33,606 1,607 0.832,608 104.053,609 -0.018,610 -0.021,611 0.038,612 0.025,613 -0.1,614 0.041,615 0.022,616 -0.059,617 0.203,618 0.104,619 0.062,620 0.181,621 -0.15,622 -0.184,623 0.016,624 -0.02,625 -0.052,626 0.035,627 0.106,628 0.058,629 0.048,630 0.005,631 0.066,632 0.007,633 -0.155,634 0.036,635 -0.246,636 -0.05,637 -0.075,638 -0.14,639 0.025,640 -0.229,641 -0.177,642 -0.368,643 -0.067,644 -0.34,645 0.231,646 0.083,647 -0.023,648 -0.127,649 0.128,650 -0.144,651 0.063,652 -0.118,653 0.328,654 0.108,655 0.086,656 0.243,657 2.033,658 6.275,659 0.783,660 15.225,661 1.021,662 1.148,663 3.248,664 10.546,665 0.676,666 3.296,667 3.689,668 4.043,669 4.394,670 4.625,671 4.796,672 4.927,673 5.088,674 5.112,675 5.153,676 4.791,677 0.666,678 311.36,679 3.296,680 4.875,681 5.771,682 6.696,683 7.612,684 8.542,685 9.465,686 10.396,687 11.322,688 12.254,689 18.9,693 1,697 2,699 4,703 4,704 4,705 4,706 1,709 4,710 1,711 20,722 1,730 1,731 37,733 20,734 1,735 26,737 40,738 15,739 12,740 4,741 2,746 4,747 6,752 2,758 1,761 12,762 3,777 1,778 1,779 1,781 14,782 6,783 3,784 8,790 7,794 0.5,803 2,806 1,811 2,812 2,815 2,840 2,844 2,846 1,848 23,849 1,858 1,869 1,877 11.833,878 7.393,879 4.889,880 2.201,881 4.038,882 1.542,883 1.045,884 3.064,885 11.491,886 3.611,887 4.35,888 5.089,889 5.804,890 6.365,891 6.845,892 7.341,893 7.867,894 8.192,895 8.609,896 0.8,897 40,898 8.479,900 3.754,901 7.899,902 15.808,904 13.211,905 2.399,906 55.167,910 129.482,911 80.666,912 118.234,915 14.96,917 80.666,918 129.482,919 133.194,920 17.65,922 60.897,923 80.383,924 49.412,925 29.059,926 105.94,928 129.482,929 198.899,930 14.96,933 73.816,934 70.627,937 51.325,938 80.678,939 66.897,941 144.442,942 118.234,943 80.666,946 129.482,947 26.397,948 56.045,949 16.663,950 114.754,951 129.482,952 133.194,953 80.666,955 0.599,956 0.366,957 0.211,958 0.114,959 22,960 10,961 0.05,962 2,963 2,964 1.222,965 3.379,966 202.883,967 0.222,968 18,969 102.042,974 14.097,975 4.999,976 2.081,977 2.216,978 114.754,979 6.126,980 16.946,981 2.664,984 1.094,985 1.759,986 49.56,987 343.342,988 36,999 37.76,1000 42.489,1001 0.317,1002 0.78,1003 0.888,1004 0.899,1005 0.899,1006 0.899,1007 4.868,1008 1.169,1009 5.796,1010 4.324,1011 4.369,1012 5.037,1014 6.698,1015 4.281,1016 6.134,1017 1,1018 7.413,1019 2.85,1020 4.111,1021 5.047,1023 7.763,1024 3.989,1025 7.488,1026 0.827,1027 9.13,1028 2.456,1029 6.047,1030 7.431,1032 10.924,1033 5.888,1034 8.884,1035 0.642,1036 10.905,1037 2.084,1038 6.608,1039 8.299,1041 12.82,1042 6.418,1043 10.314,1044 -0.286,1045 12.717,1046 1.683,1047 8.048,1048 10.156,1050 15.509,1051 7.825,1052 11.77,1053 -0.334,1054 14.555,1055 -0.673,1056 8.964,1057 11.406,1059 17.742,1060 8.708,1061 13.244,1062 -0.666,1063 16.41,1064 -0.869,1065 10.228,1066 13.064,1068 20.279,1069 9.94,1070 3.345,1071 -0.885,1072 18.28,1073 -1.919,1074 11.297,1075 14.481,1077 22.653,1078 10.976,1079 3.049,1080 12.098,1081 20.161,1082 -2,1083 12.502,1084 16.063,1086 25.143,1087 12.148,1088 2.561,1089 10.159,1090 22.05,1091 4.744,1092 13.637,1093 17.551,1095 27.578,1096 13.249,1097 2.371,1098 8.678,1099 23.947,1100 4.468,1101 14.825,1102 19.105,1104 30.057,1105 14.403,1106 1.993,1107 7.499,1108 25.85,1109 3.301,1110 15.99,1111 20.623,1113 32.518,1114 15.533,1115 1.743,1116 5.764,1117 27.758,1118 3.18,1119 17.175,1120 22.167,1122 34.997,1123 16.684,1124 1.547,1125 4.819,1126 29.671,1127 2.791,1128 18.354,1129 23.698,1131 37.471,1132 17.828,1133 4844,1134 8526,1135 17.224,1136 25.023,1137 40.966,1138 40.757,1139 42.331,1140 40.553,1141 40.491,1142 56.18,1144 124.828,1145 38.583,1146 5.446,1147 5.392,1148 6.569,1149 5.383,1150 5.345,1151 7.744,1153 19.577,1154 5.229,1155 11.558,1156 1.576,1157 1.568,1158 1.628,1159 1.56,1160 1.557,1161 2.161,1163 4.801,1164 1.484,1165 4.168,1166 4.21,1167 4.15,1168 4.046,1169 8.201,1170 4.065,1171 4.011,1172 4.062,1173 3.988,1174 3.848,1175 5.258,1176 3.877,1177 3.578,1178 3.656,1179 3.445,1180 3.411,1181 5.056,1182 3.402,1183 3.409,1184 3.478,1185 3.346,1186 3.213,1187 4.858,1188 3.239,1189 3.136,1190 3.231,1191 3.056,1192 2.864,1193 4.525,1194 2.902,1195 2.997,1196 3.099,1197 2.897,1198 2.75,1199 4.237,1200 2.771,1201 2.902,1202 3.009,1203 2.809,1204 2.667,1205 4.01,1206 2.699,1207 2.874,1208 2.964,1209 2.499,1210 2.618,1211 3.67,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.166,1217 0.129,1218 4.768,1219 0.182,1220 3.392,1222 7.042,1223 0.465,1224 4.31,1225 0.124,1226 3.345,1227 4.744,1229 12.098,1230 3.229,1231 1.952,1232 1.935,1233 2,1234 2.043,1235 1.172,1236 2.026,1237 1.805,1238 1.759,1239 1.945,1240 1.994,1241 1.138,1242 1.976,1243 1.62,1244 1.556,1245 1.775,1246 1.816,1247 0.859,1248 1.815,1249 1.363,1250 1.283,1251 1.521,1252 1.697,1253 0.487,1254 1.65,1255 1.138,1256 1.069,1257 1.417,1258 1.407,1259 0.469,1260 1.374,1261 0.934,1262 0.821,1263 1.246,1264 1.239,1265 0.22,1266 1.308,1267 0.903,1268 0.804,1269 1.144,1270 1.228,1271 0.089,1272 1.212,1273 0.792,1274 0.727,1275 1.016,1276 1.075,1277 0.029,1278 1.065,1279 3.97,1281 5.342,1282 3.045,1283 6.909,1284 5.416,1285 8.57,1286 7.564,1287 10.283,1289 3.984,1291 14.275,1293 6.019,1299 0.083,1305 24.64,1306 61.192,1307 150.343,1308 171.24,1309 173.24,1310 173.24,1311 173.24,1312 36.738,1313 7.452,1314 98.3,1315 98.3,1316 22,1317 12.756,1318 4.392,1319 3.459,1320 31.578,1321 65,1322 56,1323 0.243,1324 150.421,1325 236.97,1326 358.787,1327 15602,1328 2.7,1329 16.137,1330 0.702,1331 0.547,1332 15.267,1333 12.578,1334 11.059,1335 0.425,1336 0.276,1337 7.045,1338 10.483,1339 6.863,1340 5.704,1341 10.648,1342 7.181,1343 10.52,1344 0.27,1345 0.144,1346 9.981,1347 5.621,1348 9.128,1349 0.163,1350 0.068,1351 8.729,1352 3.782,1353 8.235,1354 0.103,1355 0.034,1356 7.769,1357 2.699,1358 6.505,1359 0.064,1360 0.018,1361 6.227,1362 1.781,1363 0.361,1364 70.314,1365 0.241,1366 21.742,1367 0.733,1368 130,1369 433.982,1370 146.375,1371 400.464,1372 556.16,1373 374,1374 160,1375 431.796,1376 177.702,1377 429.066,1378 634.69,1379 404,1380 6.842}
{0 CHEMBL1242574,1 1.471,2 7.364,3 2.72,4 7.396,5 87.65,6 7.694,7 0.8,8 3.772,9 3.911,10 3.381,11 3.307,12 4.909,13 3.302,14 4.272,15 4.453,16 3.776,17 3.711,18 5.348,19 3.693,20 4.462,21 4.671,22 3.802,23 3.803,24 5.51,25 3.765,26 4.538,27 4.77,28 3.777,29 3.807,30 5.606,31 3.748,32 4.457,33 4.687,34 3.6,35 3.726,36 5.445,37 3.651,38 4.372,39 4.579,40 3.58,41 3.671,42 5.454,43 3.601,44 4.478,45 4.749,46 3.328,47 3.599,48 5.449,49 3.467,50 4.31,51 4.631,52 2.975,53 3.305,54 5.115,55 3.136,56 0.055,57 0.647,58 7.452,59 2.907,60 9.079,61 3.963,62 0.141,63 1.017,64 13.597,65 5.008,66 15.86,67 7.04,68 0.163,69 1.168,70 17.409,71 5.736,72 18.24,73 8.325,74 0.287,75 1.215,76 19.713,77 6.401,78 31.325,79 9.333,80 0.216,81 1.101,82 18.063,83 5.723,84 23.392,85 8.363,86 0.133,87 1.043,88 15.716,89 5.377,90 22.29,91 7.757,92 0.296,93 1.03,94 19.988,95 6.144,96 37.303,97 9.178,98 0.178,99 0.779,100 18.67,101 5.795,102 24.879,103 9.023,104 11,105 37,106 0.259,107 0.675,108 0.798,109 0.835,110 0.835,111 0.835,112 3.149,113 0.865,114 -4.28,115 -4.22,116 -3.98,119 42.1,120 2,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 4,183 7,185 1,186 1,187 5,192 2,195 6,198 2,199 7,201 3,202 3,204 2,207 4,209 1,212 6,215 1,217 3,220 3,222 2,224 6,227 1,229 3,232 5,234 3,237 3,240 2,241 1,242 1,244 1,245 2,247 1,250 2,255 3,258 2,260 1,271 2,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.255,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 12.854,294 3.777,295 1.419,296 0.724,297 0.513,298 0.513,299 0.513,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 14.836,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 162,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.222,341 4.414,342 2.939,343 6.253,344 3.909,345 2.93,346 4.353,348 9.393,349 2.868,350 3.852,351 2.666,352 6.073,353 3.515,354 2.557,355 3.301,357 8.572,358 2.448,359 3.746,360 2.404,361 5.713,362 3.333,363 2.37,364 3.179,366 7.457,367 2.279,368 3.056,369 1.822,370 4.82,371 2.685,372 1.743,373 2.328,375 4.819,376 1.638,377 3.034,378 1.55,379 4.518,380 2.509,381 1.55,382 2.3,384 4.378,385 1.494,386 3.009,387 1.533,388 4.333,389 2.494,390 1.533,391 2.133,393 4.044,394 1.46,395 2.636,396 1.155,397 3.864,398 2.104,399 1.153,400 1.7,402 2.795,403 1.094,404 2.47,405 1,406 3.509,407 1.962,408 1,409 1.457,411 2.398,412 0.959,413 2.133,414 0.837,415 3.419,416 1.768,417 0.806,418 1.036,420 2.014,421 0.773,422 1.885,423 0.401,424 3.036,425 1.366,426 0.396,427 0.588,428 0.984,429 0.384,430 1.061,431 -0.155,432 2.652,433 0.628,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.383,442 -0.59,443 -0.818,445 -1.644,446 -0.572,447 0.628,448 -0.797,449 2.259,450 0.114,451 -0.841,452 -1,454 -2,455 -0.791,456 0.545,457 -0.907,458 2.206,459 0.042,460 -0.922,461 -1.149,463 -2.365,464 -0.896,465 10.4,466 0.473,467 0.61,468 0.028,469 31.5,470 1.432,471 16.5,472 0.75,473 15,474 0.682,475 15.754,476 0.716,477 22.6,478 0.595,479 20.988,480 0.954,481 6.037,482 0.274,483 4.611,484 0.21,485 0.135,487 0.423,493 0.962,494 1.234,495 0.764,496 0.96,497 1.126,498 0.855,499 0.8,500 1.088,501 0.701,502 0.89,503 0.604,504 0.8,505 1.141,506 1.166,507 0.914,508 0.965,509 0.827,510 0.916,511 0.962,512 0.949,513 0.946,514 0.94,515 0.971,516 0.941,517 1.291,518 1.024,519 1.152,520 1.013,521 1.075,522 1.053,523 1.136,524 1.331,525 1.172,526 1.284,527 1.27,528 1.242,529 1.156,530 0.873,531 1.24,532 1.056,533 1.602,534 1.142,535 0.815,536 0.884,537 0.858,538 0.893,539 0.693,540 0.884,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 11345,553 2.148,554 42.1,556 5,557 1,558 1,559 3,561 6,564 1.652,565 2,566 2.918,567 1.069,568 1,569 1,571 1,573 55.911,574 1.471,575 3.829,576 4.524,577 4.735,578 4.735,579 4.735,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,589 1,590 1,591 199.421,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.5,606 1,607 0.797,608 98.122,609 -0.015,610 -0.053,611 0.053,612 0.019,613 -0.201,614 0.042,615 0.165,616 0.014,617 0.181,618 0.088,619 0.182,620 0.128,621 -0.104,622 -0.106,623 0.009,624 -0.01,625 0.029,626 0.012,627 0.119,628 0.078,629 0.014,630 0.005,631 0.091,632 -0.004,633 -0.232,634 0.003,635 -0.203,636 -0.065,637 -0.134,638 -0.118,639 -0.138,640 -0.284,641 -0.258,642 -0.327,643 -0.123,644 -0.313,645 -0.091,646 0.071,647 -0.229,648 -0.109,649 -0.333,650 -0.175,651 0.062,652 -0.09,653 0.23,654 0.112,655 0.221,656 0.181,657 1.21,658 2.088,659 0.818,660 14.281,661 1.001,662 1.133,663 3.051,664 9.306,665 0.68,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.652,678 292.38,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 15.8,693 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,722 1,731 38,733 20,734 1,735 25,737 41,738 16,739 13,740 3,741 3,746 4,747 6,752 2,758 1,761 13,762 3,777 1,778 1,781 16,782 4,783 3,784 6,790 6,794 0.5,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,877 11,878 7.467,879 4.694,880 2.287,881 4.036,882 1.548,883 1.051,884 2.91,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.074,900 3.486,901 7.614,902 15.517,904 13.014,905 2.114,906 46.5,910 153.024,911 90.497,912 101.693,917 90.497,918 153.024,919 101.693,920 17.65,922 79.85,923 63.72,924 38.269,925 16.243,926 129.482,928 153.024,929 192.19,933 82.398,934 70.627,937 49.303,938 92.653,939 50.234,941 153.024,942 101.693,943 90.497,946 153.024,947 17.276,948 74.998,949 16.786,950 83.131,951 153.024,952 101.693,953 90.497,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.049,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.286,975 4.818,976 2.011,977 3.812,978 83.131,979 11.652,980 13.219,981 3.225,984 2.276,985 1.89,986 49.683,987 345.215,988 35,999 38.029,1000 43.066,1001 0.28,1002 0.73,1003 0.862,1004 0.902,1005 0.902,1006 0.902,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.242,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.908,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.838,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.342,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.762,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.63,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.866,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.891,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 12.062,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.157,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.309,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.435,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.585,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.726,1133 4398,1134 7009,1135 16.819,1136 25.841,1137 39.193,1138 38.662,1139 40.034,1140 38.774,1141 38.753,1142 54.225,1144 117.881,1145 37.234,1146 5.437,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.222,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.551,1160 1.55,1161 2.169,1163 4.715,1164 1.489,1165 4.175,1166 4.215,1167 4.148,1168 4.071,1169 5.258,1170 4.083,1171 4.022,1172 4.071,1173 3.989,1174 3.871,1175 4.983,1176 3.898,1177 3.578,1178 3.656,1179 3.445,1180 3.414,1181 4.845,1182 3.404,1183 3.418,1184 3.474,1185 3.341,1186 3.278,1187 4.517,1188 3.288,1189 3.132,1190 3.227,1191 3.016,1192 2.898,1193 4.246,1194 2.919,1195 2.994,1196 3.099,1197 2.873,1198 2.766,1199 4.036,1200 2.775,1201 2.898,1202 3.009,1203 2.774,1204 2.669,1205 3.754,1206 2.701,1207 2.874,1208 2.969,1209 2.499,1210 2.618,1211 3.646,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.303,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.222,1231 1.966,1232 1.946,1233 2.035,1234 2.051,1235 1.191,1236 2.043,1237 1.808,1238 1.761,1239 1.947,1240 2.003,1241 1.142,1242 1.983,1243 1.622,1244 1.558,1245 1.782,1246 1.82,1247 0.868,1248 1.819,1249 1.482,1250 1.419,1251 1.657,1252 1.696,1253 0.655,1254 1.692,1255 1.183,1256 1.123,1257 1.417,1258 1.42,1259 0.469,1260 1.394,1261 0.934,1262 0.84,1263 1.29,1264 1.247,1265 0.349,1266 1.308,1267 0.924,1268 0.804,1269 1.182,1270 1.239,1271 0.167,1272 1.238,1273 0.817,1274 0.742,1275 1.101,1276 1.091,1277 0.04,1278 1.086,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.144,1293 6.088,1299 0.194,1305 24.762,1306 55.911,1307 145.505,1308 171.911,1309 179.911,1310 179.911,1311 179.911,1312 25.366,1313 7.358,1314 85.41,1315 85.41,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 152.021,1325 237.2,1326 362.691,1327 14040,1329 15.267,1330 0.694,1331 0.564,1332 15.267,1333 12.408,1334 10.648,1335 0.426,1336 0.288,1337 7.114,1338 10.254,1339 6.897,1340 5.761,1341 10.648,1342 7.211,1343 9.981,1344 0.27,1345 0.152,1346 9.981,1347 5.624,1348 8.729,1349 0.165,1350 0.072,1351 8.729,1352 3.836,1353 7.769,1354 0.104,1355 0.037,1356 7.769,1357 2.753,1358 6.227,1359 0.066,1360 0.019,1361 6.227,1362 1.831,1363 0.361,1364 66.484,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 320.226,1370 135.157,1371 320.924,1372 461.49,1373 302,1374 152,1375 369.265,1376 164.462,1377 375.027,1378 554.89,1379 354,1380 5.585}
{0 CHEMBL1242656,1 1.674,2 8.375,3 3.292,4 10.836,5 90.268,6 7.795,7 0.593,8 3.871,9 3.997,10 3.471,11 3.385,12 5.036,13 3.386,14 4.409,15 4.581,16 3.882,17 3.815,18 5.522,19 3.796,20 4.699,21 4.915,22 3.947,23 3.916,24 5.885,25 3.873,26 4.741,27 5,28 3.884,29 3.872,30 5.814,31 3.822,32 4.592,33 4.822,34 3.808,35 3.832,36 5.652,37 3.788,38 4.547,39 4.741,40 3.814,41 3.837,42 5.72,43 3.791,44 4.645,45 4.879,46 3.679,47 3.792,48 5.806,49 3.698,50 4.567,51 4.842,52 3.342,53 3.563,54 5.725,55 3.421,56 0.106,57 0.743,58 8.203,59 3.629,60 14.314,61 4.602,62 0.201,63 1.205,64 15.506,65 6.376,66 24.877,67 8.471,68 0.46,69 1.438,70 23.474,71 7.878,72 66.624,73 11.077,74 0.554,75 1.404,76 26.641,77 7.81,78 63.249,79 11.345,80 0.404,81 1.245,82 21.142,83 6.203,84 40.656,85 9.24,86 0.361,87 1.273,88 18.691,89 6.325,90 39.261,91 8.912,92 0.493,93 1.274,94 22.769,95 7.494,96 61.27,97 10.772,98 0.537,99 1.08,100 23.545,101 7.463,102 80.845,103 10.785,104 17,105 40,106 0.292,107 0.694,108 0.829,109 0.888,110 0.888,111 0.888,112 3.23,113 0.891,114 -5.26,115 -5.15,116 -4.81,119 40.5,120 1,121 3,122 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 7,177 1,178 1,180 2,183 8,185 1,186 1,187 7,192 2,195 4,198 2,199 10,201 3,202 3,204 2,207 3,209 1,212 8,215 1,217 3,220 4,222 2,224 5,227 1,229 3,232 7,234 3,237 2,240 2,241 1,242 2,244 1,245 7,247 2,250 1,255 3,258 4,260 1,268 2,271 1,275 754,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 14.149,282 12.029,283 9.175,284 16.416,285 13.304,286 13.304,287 13.304,288 13.304,289 13.304,290 10.385,291 8.729,292 4.351,293 13.897,294 3.718,295 1.418,296 0.643,297 0.304,298 0.304,299 0.304,300 3.922,303 1,304 1,305 1,306 439,307 2.236,310 98.563,311 122.89,314 87.109,318 1.24,319 30.99,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 201,332 4.764,333 3.397,334 7.051,335 4.313,336 3.35,337 4.733,339 12.15,340 3.227,341 4.219,342 3.166,343 6.275,344 3.823,345 2.858,346 3.88,348 9.38,349 2.76,350 3.909,351 2.841,352 5.978,353 3.681,354 2.715,355 3.251,357 8.367,358 2.615,359 3.681,360 2.456,361 5.687,362 3.279,363 2.329,364 3.086,366 7.349,367 2.2,368 3.431,369 2.277,370 5.257,371 3.188,372 2.227,373 2.542,375 6.409,376 2.134,377 3,378 1.871,379 4.75,380 2.616,381 1.665,382 2.236,384 4.851,385 1.581,386 2.875,387 1.735,388 4.469,389 2.446,390 1.507,391 1.954,393 4.127,394 1.41,395 2.82,396 1.53,397 4.052,398 2.365,399 1.414,400 1.947,402 3.513,403 1.333,404 2.514,405 1.095,406 4.029,407 2.023,408 1.071,409 1.52,411 2.955,412 1.017,413 2.165,414 0.959,415 3.605,416 1.866,417 0.906,418 1.097,420 2.319,421 0.867,422 1.689,423 0.665,424 3.267,425 1.638,426 0.647,427 0.673,428 1.628,429 0.641,430 1.371,431 0.573,432 2.736,433 0.989,434 0.103,435 0.125,436 0.227,437 0.089,438 1.061,439 -0.141,440 2.541,441 0.626,442 -0.286,443 -0.363,445 -0.674,446 -0.261,447 0.782,448 -0.287,449 2.379,450 0.353,451 -0.594,452 -0.735,454 -1.604,455 -0.555,456 0.639,457 -0.637,458 2.369,459 0.275,460 -0.695,461 -0.777,463 -1.72,464 -0.664,465 11.119,466 0.463,467 0.716,468 0.03,469 31,470 1.292,471 15,472 0.625,473 16,474 0.667,475 20.073,476 0.836,477 26.081,478 0.621,479 21.954,480 0.915,481 5.651,482 0.235,483 5.891,484 0.245,485 0.137,487 0.441,491 1,493 0.747,494 1.094,495 0.743,496 1.001,497 0.737,498 0.896,499 0.602,500 1.071,501 0.717,502 1.055,503 0.502,504 0.941,505 0.775,506 1.176,507 0.88,508 1.107,509 0.629,510 1.032,511 0.88,512 0.847,513 0.851,514 0.79,515 0.795,516 0.799,517 0.821,518 0.848,519 0.961,520 0.827,521 0.543,522 0.879,523 0.795,524 1.035,525 1.102,526 1.161,527 0.734,528 1.178,529 0.712,530 0.988,531 1.108,532 1.202,533 0.782,534 1.235,535 0.806,536 0.81,537 1.044,538 1.111,539 0.91,540 1.143,541 5,542 0.049,543 3.333,544 2.139,545 1.772,546 0.851,547 0.677,548 0.524,549 0.224,550 0.117,551 5733,552 16032,553 2.11,554 42.9,555 6,556 4,558 1,559 3,561 4,564 1.677,565 1.946,566 3.056,567 1.039,568 1,569 1,571 1,573 70.322,574 1.674,575 3.974,576 4.749,577 5.089,578 5.089,579 5.089,580 2.507,581 4.335,582 4.555,583 3.161,584 872.559,585 7.904,586 9809.19,587 1,588 1,590 1,591 226.477,592 1.483,593 4.504,594 0.185,595 0.012,596 0.083,597 0.053,598 0.047,599 0.024,600 0.019,601 0.019,602 0.012,603 0.013,604 0.468,605 0.33,606 1,607 0.622,608 110.829,609 -0.056,610 -0.012,611 0.028,612 0.056,613 -0.082,614 0.058,615 0.063,616 -0.053,617 0.114,618 -0.022,619 0.085,620 0.038,621 0.081,622 -0.202,623 0.049,624 -0.123,625 0.168,626 -0.059,627 -0.004,628 0.076,629 0.137,630 0.137,631 -0.012,632 0.163,633 -0.116,634 0.033,635 -0.052,636 0.093,637 -0.018,638 0.058,639 -0.043,640 -0.052,641 -0.237,642 -0.199,643 -0.051,644 -0.245,645 0.103,646 -0.078,647 -0.168,648 -0.238,649 0.029,650 -0.261,651 0.153,652 0.036,653 -0.012,654 -0.129,655 0.116,656 -0.119,657 2.337,658 5.377,659 0.833,660 17.715,661 1.013,662 1.142,663 4.027,664 16.215,665 0.661,666 3.332,667 3.714,668 4.043,669 4.369,670 4.625,671 4.796,672 4.97,673 5.142,674 5.182,675 5.124,676 5.068,677 0.64,678 327.4,679 3.332,680 4.905,681 5.79,682 6.703,683 7.611,684 8.532,685 9.451,686 10.376,687 11.3,688 12.228,689 11.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 42,733 16,734 1,735 27,737 45,738 17,739 11,740 3,741 3,746 4,747 5,752 1,755 4,756 1,758 4,761 11,762 6,763 1,777 1,778 1,779 1,781 18,782 6,783 3,784 7,790 5,794 0.75,795 1,803 1,806 1,811 2,812 2,815 1,840 3,844 1,846 1,848 24,849 1,853 1,854 3,858 2,869 1,870 2.4,872 1,877 12.333,878 7.726,879 5.111,880 2.616,881 3.062,882 1.415,883 0.987,884 3.65,885 10.445,886 3.584,887 4.259,888 4.926,889 5.593,890 6.181,891 6.611,892 7.077,893 7.547,894 7.83,895 8.095,896 0.833,897 40,898 8.906,900 3.983,901 7.91,902 16.84,904 14.502,905 2.41,906 57.833,909 1,910 176.567,911 75.156,912 84.908,914 42.683,915 14.96,917 75.156,918 219.25,919 99.868,920 8.825,921 7.604,922 61.326,923 106.404,924 28.031,925 17.288,926 164.795,928 176.567,929 160.063,930 57.643,933 144.442,934 89.768,937 31.296,938 78.533,939 50.234,941 191.527,942 127.591,943 75.156,946 176.567,947 29.283,948 47.649,950 140.775,951 176.567,952 142.551,953 75.156,955 0.598,956 0.358,957 0.195,958 0.111,959 22,960 10,961 0.044,962 2,963 1,964 1.1,965 3.491,966 212.228,967 0.1,968 20,969 110.039,974 15.34,975 5.71,976 2.548,977 1.323,978 140.775,979 5.573,980 13.144,984 0.399,985 1.909,986 75.581,987 394.273,988 35,999 42.534,1000 47.947,1001 0.311,1002 0.737,1003 0.881,1004 0.944,1005 0.944,1006 0.944,1007 4.852,1008 1.414,1009 5.808,1010 4.127,1011 4.394,1012 4.945,1014 6.686,1015 4.311,1016 6.089,1017 1.071,1018 7.41,1019 3.513,1020 4.111,1021 4.902,1023 7.706,1024 3.977,1025 7.425,1026 0.906,1027 9.112,1028 2.955,1029 6.052,1030 7.244,1032 10.859,1033 5.897,1034 8.801,1035 0.647,1036 10.871,1037 2.319,1038 6.581,1039 8.054,1041 12.733,1042 6.377,1043 10.211,1044 0.103,1045 12.668,1046 1.628,1047 8.021,1048 9.899,1050 15.424,1051 7.794,1052 11.647,1053 -0.286,1054 14.491,1055 0.227,1056 8.91,1057 11.106,1059 17.657,1060 8.639,1061 13.103,1062 -0.594,1063 16.336,1064 -0.674,1065 10.172,1066 12.76,1068 20.203,1069 9.872,1070 3.35,1071 -0.695,1072 18.196,1073 -1.604,1074 11.223,1075 14.153,1077 22.587,1078 10.883,1079 2.858,1080 12.15,1081 20.069,1082 -1.72,1083 12.425,1084 15.735,1086 25.09,1087 12.052,1088 2.715,1089 9.38,1090 21.954,1091 4.733,1092 13.551,1093 17.213,1095 27.538,1096 13.139,1097 2.329,1098 8.367,1099 23.847,1100 3.88,1101 14.737,1102 18.769,1104 30.03,1105 14.291,1106 2.227,1107 7.349,1108 25.749,1109 3.251,1110 15.899,1111 20.286,1113 32.505,1114 15.414,1115 1.665,1116 6.409,1117 27.657,1118 3.086,1119 17.085,1120 21.835,1122 34.997,1123 16.565,1124 1.507,1125 4.851,1126 29.571,1127 2.542,1128 18.265,1129 23.37,1131 37.483,1132 17.706,1133 5510,1134 9387,1135 17.918,1136 27.75,1137 41.767,1138 42.313,1139 43.654,1140 41.612,1141 41.586,1142 54.088,1144 126.549,1145 39.745,1146 5.666,1147 5.397,1148 6.579,1149 5.388,1150 5.35,1151 7.733,1153 19.703,1154 5.227,1155 12.209,1156 1.547,1157 1.567,1158 1.617,1159 1.541,1160 1.54,1161 2.003,1163 4.687,1164 1.472,1165 4.147,1166 4.194,1167 4.126,1168 4.006,1169 8.201,1170 4.028,1171 3.876,1172 3.913,1173 3.817,1174 3.782,1175 6.465,1176 3.78,1177 3.799,1178 3.842,1179 3.701,1180 3.674,1181 5.254,1182 3.681,1183 3.322,1184 3.413,1185 3.251,1186 3.064,1187 4.868,1188 3.091,1189 3.127,1190 3.209,1191 3.008,1192 2.948,1193 4.573,1194 2.949,1195 3.014,1196 3.117,1197 2.827,1198 2.759,1199 4.401,1200 2.768,1201 2.931,1202 2.978,1203 2.803,1204 2.745,1205 4.224,1206 2.747,1207 2.866,1208 2.96,1209 2.724,1210 2.608,1211 3.716,1212 2.624,1213 0.176,1214 0.126,1215 0.261,1216 0.16,1217 0.124,1218 4.764,1219 0.175,1220 3.397,1222 7.051,1223 0.45,1224 4.313,1225 0.12,1226 3.35,1227 4.733,1229 12.15,1230 3.227,1231 1.922,1232 1.903,1233 1.985,1234 2.034,1235 1.28,1236 2.014,1237 1.787,1238 1.742,1239 1.934,1240 1.973,1241 1.239,1242 1.951,1243 1.672,1244 1.612,1245 1.887,1246 1.831,1247 1.106,1248 1.867,1249 1.584,1250 1.527,1251 1.747,1252 1.778,1253 0.833,1254 1.774,1255 1.144,1256 1.086,1257 1.388,1258 1.404,1259 0.517,1260 1.384,1261 0.942,1262 0.845,1263 1.233,1264 1.231,1265 0.255,1266 1.253,1267 0.883,1268 0.837,1269 1.152,1270 1.206,1271 0.143,1272 1.207,1273 0.85,1274 0.739,1275 1.114,1276 1.132,1277 0.084,1278 1.13,1279 4.007,1281 5.371,1282 3.045,1283 6.923,1284 5.416,1285 8.564,1286 7.545,1287 10.255,1289 2.23,1291 13.377,1293 6.061,1294 9.684,1295 3.226,1299 0.909,1305 26.893,1306 70.322,1307 166.914,1308 199.458,1309 213.722,1310 213.722,1311 213.722,1312 44.11,1313 7.383,1314 89.85,1315 89.85,1316 22,1317 12.733,1318 4.087,1319 3.17,1320 33.546,1321 72,1322 74,1323 0.235,1324 162.941,1325 271.9,1326 389.336,1327 13901,1328 2.4,1329 16.845,1330 0.702,1331 0.553,1332 15.974,1333 13.277,1334 11.542,1335 0.427,1336 0.297,1337 7.899,1338 11.049,1339 7.742,1340 6.396,1341 11.131,1342 8.019,1343 10.919,1344 0.273,1345 0.162,1346 10.423,1347 6.489,1348 9.522,1349 0.17,1350 0.085,1351 8.86,1352 4.751,1353 8.034,1354 0.103,1355 0.045,1356 7.926,1357 3.511,1358 6.565,1359 0.065,1360 0.022,1361 6.365,1362 2.249,1363 0.351,1364 72.836,1365 0.236,1366 22.702,1367 0.704,1368 134,1369 424.153,1370 149.371,1371 389.167,1372 532.47,1373 362,1374 163,1375 403.657,1376 179.642,1377 401.156,1378 593.98,1379 378,1380 6.46}
{0 CHEMBL1242657,1 1.755,2 7.87,3 1.15,4 1.323,5 84.598,6 8.273,7 0.615,8 3.798,9 3.927,10 3.443,11 3.277,12 5.009,13 3.303,14 4.313,15 4.482,16 3.841,17 3.691,18 5.493,19 3.701,20 4.568,21 4.782,22 3.895,23 3.768,24 5.828,25 3.758,26 4.55,27 4.783,28 3.849,29 3.729,30 5.737,31 3.721,32 4.452,33 4.654,34 3.763,35 3.726,36 5.591,37 3.702,38 4.449,39 4.643,40 3.741,41 3.708,42 5.651,43 3.674,44 4.532,45 4.772,46 3.598,47 3.61,48 5.758,49 3.535,50 4.425,51 4.718,52 3.157,53 3.292,54 5.618,55 3.166,56 0.152,57 0.71,58 6.777,59 2.926,60 16.421,61 3.579,62 0.283,63 1.125,64 12.753,65 4.977,66 25.155,67 6.431,68 0.571,69 1.274,70 19.711,71 6.229,72 66.327,73 8.555,74 0.583,75 1.22,76 20.293,77 5.919,78 58.582,79 8.101,80 0.416,81 1.127,82 16.111,83 5.134,84 37.502,85 7.159,86 0.396,87 1.142,88 15.637,89 5.47,90 39.059,91 7.536,92 0.571,93 1.095,94 19.956,95 6.271,96 61.496,97 9.025,98 0.644,99 0.856,100 21.72,101 5.777,102 84.25,103 8.65,104 10,105 38,106 0.313,107 0.742,108 0.856,109 0.897,110 0.897,111 0.897,112 3.19,113 0.846,114 -4.01,115 -3.96,116 -3.75,119 39.5,121 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 6,177 1,178 1,180 3,183 3,185 1,186 1,187 4,190 1,192 2,195 3,198 2,199 6,201 3,202 4,204 2,207 2,209 1,212 5,215 2,217 4,220 1,222 2,224 3,227 1,229 3,232 2,234 2,240 3,241 2,242 2,244 2,245 1,255 2,267 1,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 16.309,283 9.039,284 16.033,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 17.265,292 4.272,293 13.509,294 3.493,295 1.083,296 0.441,297 0.211,298 0.211,299 0.211,300 3.884,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 31.517,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 181,332 4.763,333 3.396,334 7.05,335 4.31,336 3.347,337 4.733,338 0.4,339 12.146,340 3.224,341 4.218,342 3.166,343 6.261,344 3.8,345 2.843,346 3.88,348 9.314,349 2.717,350 3.878,351 2.813,352 5.971,353 3.606,354 2.651,355 3.243,357 8.322,358 2.526,359 3.68,360 2.453,361 5.68,362 3.272,363 2.324,364 3.086,366 7.318,367 2.189,368 3.239,369 2.118,370 5.078,371 2.933,372 1.994,373 2.365,375 5.689,376 1.869,377 2.996,378 1.869,379 4.469,380 2.448,381 1.513,382 2.231,384 4.136,385 1.411,386 2.82,387 1.563,388 4.235,389 2.365,390 1.414,391 1.948,393 3.533,394 1.333,395 2.638,396 1.518,397 4.038,398 2.278,399 1.342,400 1.684,402 3.509,403 1.254,404 2.442,405 1.086,406 3.662,407 1.967,408 1.035,409 1.423,411 2.565,412 0.961,413 1.857,414 0.811,415 3.249,416 1.639,417 0.683,418 0.784,420 1.743,421 0.65,422 1.618,423 0.754,424 3,425 1.58,426 0.618,427 0.618,428 1.372,429 0.593,430 1.371,431 0.576,432 2.736,433 0.989,434 0.103,435 0.124,436 0.227,437 0.089,438 1.057,439 -0.144,440 2.462,441 0.619,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.288,449 2.375,450 0.353,451 -0.595,452 -0.769,454 -1.604,455 -0.555,456 0.626,457 -0.688,458 2.333,459 0.132,460 -0.795,461 -1.041,463 -2.197,464 -0.731,465 10.519,466 0.457,467 0.61,468 0.027,469 31,470 1.348,471 15,472 0.652,473 16,474 0.696,475 16.667,476 0.725,477 24.881,478 0.655,479 22.424,480 0.975,481 6.091,482 0.265,483 5.057,484 0.22,485 0.097,487 0.418,491 1,493 0.814,494 1.138,495 0.712,496 0.966,497 0.754,498 0.836,499 0.724,500 1.085,501 0.752,502 1.018,503 0.557,504 0.909,505 0.841,506 1.106,507 0.864,508 1.012,509 0.679,510 0.95,511 0.963,512 0.852,513 0.892,514 0.781,515 0.902,516 0.799,517 0.799,518 0.934,519 1.039,520 0.995,521 0.573,522 1.042,523 0.746,524 1.095,525 1.077,526 1.262,527 0.715,528 1.251,529 0.676,530 0.963,531 1.074,532 1.227,533 0.766,534 1.256,535 0.915,536 0.702,537 1.051,538 0.972,539 0.981,540 1.043,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 15945,553 2.141,554 39.5,556 8,558 1,559 4,562 2,564 1.666,565 2,566 2.981,567 1.908,568 1,569 1,571 1,573 66.705,574 1.755,575 4.165,576 4.807,577 5.037,578 5.037,579 5.037,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,591 199.421,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.33,606 1,607 0.58,608 104.348,609 -0.112,610 -0.06,611 0.012,612 0.059,613 -0.107,614 0.069,615 -0.023,616 -0.055,617 0.046,618 -0.019,619 0.037,620 0.023,621 0.047,622 -0.133,623 0.067,624 -0.04,625 0.153,626 0.012,627 -0.056,628 0.12,629 0.065,630 0.152,631 -0.064,632 0.144,633 -0.125,634 -0.03,635 -0.192,636 -0.056,637 -0.046,638 -0.116,639 -0.027,640 -0.144,641 -0.23,642 -0.288,643 -0.042,644 -0.307,645 0.158,646 -0.093,647 -0.1,648 -0.27,649 0.062,650 -0.265,651 0.125,652 0.085,653 0.084,654 -0.011,655 0.105,656 0.017,657 2.346,658 5.325,659 0.87,660 16.378,661 1.023,662 1.148,663 2.781,664 7.734,665 0.664,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.654,678 314.36,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 15.8,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 38,733 16,734 1,735 26,737 41,738 15,739 11,740 3,741 3,746 4,747 5,755 2,758 2,761 11,762 4,777 1,778 1,779 1,781 15,782 7,783 4,784 8,790 6,794 0.75,795 1,803 1,806 1,808 1,811 2,812 2,815 1,835 1,840 3,846 1,848 23,849 1,853 1,854 3,855 1,858 1,869 1,870 2.6,872 1,877 11.5,878 6.643,879 4.944,880 2.199,881 3.077,882 1.423,883 1.01,884 3.399,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.513,900 3.815,901 7.978,902 15.9,904 13.508,905 2.478,906 57,910 129.482,911 65.473,912 102.919,914 42.683,915 14.96,917 65.473,918 172.165,919 117.879,921 6.746,922 79.337,923 106.404,924 28.031,925 17.288,926 117.711,928 129.482,929 168.391,930 57.643,933 120.9,934 66.226,937 39.624,938 78.533,939 50.234,941 144.442,942 145.602,943 65.473,946 129.482,947 28.425,948 38.824,949 18.011,950 140.775,951 129.482,952 160.562,953 65.473,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.049,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 104.042,974 14.364,975 5.442,976 2.328,977 1.26,978 158.785,979 5.498,980 12.986,984 0.316,985 1.836,986 93.591,987 355.517,988 34,999 38.869,1000 43.615,1001 0.334,1002 0.794,1003 0.916,1004 0.96,1005 0.96,1006 0.96,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1013 0.278,1014 6.629,1015 4.245,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1031 0.05,1032 10.82,1033 5.814,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.283,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1049 0.008,1050 15.401,1051 7.711,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.558,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1067 0.001,1068 20.188,1069 9.795,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.811,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1086 25.08,1087 11.984,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.076,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1104 30.022,1105 14.232,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.359,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1122 34.989,1123 16.513,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.658,1133 4917,1134 8777,1135 17.512,1136 25.233,1137 39.656,1138 40.578,1139 41.079,1140 39.759,1141 39.736,1142 52.237,1143 0.8,1144 119.749,1145 37.631,1146 5.665,1147 5.396,1148 6.646,1149 5.387,1150 5.347,1151 7.733,1152 0.8,1153 19.683,1154 5.224,1155 10.157,1156 1.525,1157 1.561,1158 1.58,1159 1.529,1160 1.528,1161 2.009,1162 0.031,1163 4.606,1164 1.447,1165 4.142,1166 4.19,1167 4.123,1168 3.998,1169 8.201,1170 4.022,1171 3.858,1172 3.891,1173 3.814,1174 3.743,1175 6.465,1176 3.756,1177 3.749,1178 3.813,1179 3.64,1180 3.584,1181 5.254,1182 3.589,1183 3.276,1184 3.367,1185 3.223,1186 3.005,1187 4.87,1188 3.048,1189 3.038,1190 3.125,1191 2.964,1192 2.789,1193 4.573,1194 2.82,1195 2.931,1196 2.978,1197 2.804,1198 2.746,1199 4.427,1200 2.748,1201 2.866,1202 2.963,1203 2.739,1204 2.619,1205 4.271,1206 2.624,1207 2.818,1208 2.917,1209 2.562,1210 2.584,1211 3.699,1212 2.581,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.396,1221 0.015,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1228 0.4,1229 12.146,1230 3.224,1231 1.922,1232 1.903,1233 1.985,1234 2.034,1235 1.241,1236 2.014,1237 1.784,1238 1.74,1239 1.887,1240 1.972,1241 1.107,1242 1.948,1243 1.584,1244 1.527,1245 1.758,1246 1.779,1247 0.94,1248 1.775,1249 1.423,1250 1.329,1251 1.685,1252 1.704,1253 0.82,1254 1.71,1255 1.124,1256 1.069,1257 1.24,1258 1.381,1259 0.256,1260 1.351,1261 0.883,1262 0.839,1263 1.152,1264 1.231,1265 0.143,1266 1.208,1267 0.868,1268 0.773,1269 1.114,1270 1.134,1271 0.084,1272 1.13,1273 0.755,1274 0.665,1275 0.98,1276 1.055,1278 1.041,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1291 13.325,1293 6.018,1294 9.639,1295 2.656,1296 3.291,1299 0.176,1305 24.861,1306 66.705,1307 158.26,1308 182.666,1309 191.421,1310 191.421,1311 191.421,1312 39.934,1313 7.274,1314 101.88,1315 101.88,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 150.55,1325 248.3,1326 359.103,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.53,1332 15.104,1333 12.199,1334 11.148,1335 0.429,1336 0.282,1337 7.189,1338 10.58,1339 7.116,1340 5.83,1341 10.737,1342 7.332,1343 10.285,1344 0.271,1345 0.146,1346 9.789,1347 5.564,1348 9.187,1349 0.17,1350 0.076,1351 8.525,1352 4.118,1353 7.78,1354 0.104,1355 0.039,1356 7.672,1357 2.96,1358 6.179,1359 0.064,1360 0.019,1361 5.979,1362 1.796,1363 0.357,1364 70.973,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 432.486,1370 144.758,1371 394.984,1372 538.93,1373 368,1374 156,1375 405.783,1376 174.168,1377 401.884,1378 595.54,1379 379,1380 5.24}
{0 CHEMBL1242658,1 1.755,2 7.87,3 1.15,4 1.323,5 84.598,6 8.273,7 0.615,8 3.798,9 3.927,10 3.443,11 3.277,12 5.009,13 3.303,14 4.313,15 4.482,16 3.841,17 3.691,18 5.493,19 3.701,20 4.568,21 4.782,22 3.895,23 3.768,24 5.828,25 3.758,26 4.55,27 4.783,28 3.849,29 3.729,30 5.737,31 3.721,32 4.452,33 4.654,34 3.763,35 3.726,36 5.591,37 3.702,38 4.449,39 4.643,40 3.741,41 3.708,42 5.651,43 3.674,44 4.532,45 4.772,46 3.598,47 3.61,48 5.758,49 3.535,50 4.425,51 4.718,52 3.157,53 3.292,54 5.618,55 3.166,56 0.152,57 0.71,58 6.777,59 2.926,60 16.421,61 3.579,62 0.283,63 1.125,64 12.753,65 4.977,66 25.155,67 6.431,68 0.571,69 1.274,70 19.711,71 6.229,72 66.327,73 8.555,74 0.583,75 1.22,76 20.293,77 5.919,78 58.582,79 8.101,80 0.416,81 1.127,82 16.111,83 5.134,84 37.502,85 7.159,86 0.396,87 1.142,88 15.637,89 5.47,90 39.059,91 7.536,92 0.571,93 1.095,94 19.956,95 6.271,96 61.496,97 9.025,98 0.644,99 0.856,100 21.72,101 5.777,102 84.25,103 8.65,104 10,105 38,106 0.313,107 0.742,108 0.856,109 0.897,110 0.897,111 0.897,112 3.19,113 0.846,114 -4.01,115 -3.96,116 -3.75,119 39.5,121 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 6,177 1,178 1,180 3,183 3,185 1,186 1,187 4,190 1,192 2,195 3,198 2,199 6,201 3,202 4,204 2,207 2,209 1,212 5,215 2,217 4,220 1,222 2,224 3,227 1,229 3,232 2,234 2,240 3,241 2,242 2,244 2,245 1,255 2,267 1,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 16.309,283 9.039,284 16.033,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 17.265,292 4.272,293 13.509,294 3.493,295 1.083,296 0.441,297 0.211,298 0.211,299 0.211,300 3.884,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 31.517,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 181,332 4.763,333 3.396,334 7.05,335 4.31,336 3.347,337 4.733,338 0.4,339 12.146,340 3.224,341 4.218,342 3.166,343 6.261,344 3.8,345 2.843,346 3.88,348 9.314,349 2.717,350 3.878,351 2.813,352 5.971,353 3.606,354 2.651,355 3.243,357 8.322,358 2.526,359 3.68,360 2.453,361 5.68,362 3.272,363 2.324,364 3.086,366 7.318,367 2.189,368 3.239,369 2.118,370 5.078,371 2.933,372 1.994,373 2.365,375 5.689,376 1.869,377 2.996,378 1.869,379 4.469,380 2.448,381 1.513,382 2.231,384 4.136,385 1.411,386 2.82,387 1.563,388 4.235,389 2.365,390 1.414,391 1.948,393 3.533,394 1.333,395 2.638,396 1.518,397 4.038,398 2.278,399 1.342,400 1.684,402 3.509,403 1.254,404 2.442,405 1.086,406 3.662,407 1.967,408 1.035,409 1.423,411 2.565,412 0.961,413 1.857,414 0.811,415 3.249,416 1.639,417 0.683,418 0.784,420 1.743,421 0.65,422 1.618,423 0.754,424 3,425 1.58,426 0.618,427 0.618,428 1.372,429 0.593,430 1.371,431 0.576,432 2.736,433 0.989,434 0.103,435 0.124,436 0.227,437 0.089,438 1.057,439 -0.144,440 2.462,441 0.619,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.288,449 2.375,450 0.353,451 -0.595,452 -0.769,454 -1.604,455 -0.555,456 0.626,457 -0.688,458 2.333,459 0.132,460 -0.795,461 -1.041,463 -2.197,464 -0.731,465 10.519,466 0.457,467 0.61,468 0.027,469 31,470 1.348,471 15,472 0.652,473 16,474 0.696,475 16.667,476 0.725,477 24.881,478 0.655,479 22.424,480 0.975,481 6.091,482 0.265,483 5.057,484 0.22,485 0.097,487 0.418,491 1,493 0.814,494 1.138,495 0.712,496 0.966,497 0.754,498 0.836,499 0.724,500 1.085,501 0.752,502 1.018,503 0.557,504 0.909,505 0.841,506 1.106,507 0.864,508 1.012,509 0.679,510 0.95,511 0.963,512 0.852,513 0.892,514 0.781,515 0.902,516 0.799,517 0.799,518 0.934,519 1.039,520 0.995,521 0.573,522 1.042,523 0.746,524 1.095,525 1.077,526 1.262,527 0.715,528 1.251,529 0.676,530 0.963,531 1.074,532 1.227,533 0.766,534 1.256,535 0.915,536 0.702,537 1.051,538 0.972,539 0.981,540 1.043,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 15945,553 2.141,554 39.5,556 8,558 1,559 4,562 2,564 1.666,565 2,566 2.981,567 1.908,568 1,569 1,571 1,573 66.705,574 1.755,575 4.165,576 4.807,577 5.037,578 5.037,579 5.037,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,591 199.421,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.33,606 1,607 0.58,608 104.348,609 -0.112,610 -0.06,611 0.012,612 0.059,613 -0.107,614 0.069,615 -0.023,616 -0.055,617 0.046,618 -0.019,619 0.037,620 0.023,621 0.047,622 -0.133,623 0.067,624 -0.04,625 0.153,626 0.012,627 -0.056,628 0.12,629 0.065,630 0.152,631 -0.064,632 0.144,633 -0.125,634 -0.03,635 -0.192,636 -0.056,637 -0.046,638 -0.116,639 -0.027,640 -0.144,641 -0.23,642 -0.288,643 -0.042,644 -0.307,645 0.158,646 -0.093,647 -0.1,648 -0.27,649 0.062,650 -0.265,651 0.125,652 0.085,653 0.084,654 -0.011,655 0.105,656 0.017,657 2.346,658 5.325,659 0.87,660 16.378,661 1.023,662 1.148,663 2.781,664 7.734,665 0.664,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.654,678 314.36,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 15.8,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 38,733 16,734 1,735 26,737 41,738 15,739 11,740 3,741 3,746 4,747 5,755 2,758 2,761 11,762 4,777 1,778 1,779 1,781 15,782 7,783 4,784 8,790 6,794 0.75,795 1,803 1,806 1,808 1,811 2,812 2,815 1,835 1,840 3,846 1,848 23,849 1,853 1,854 3,855 1,858 1,869 1,870 2.6,872 1,877 11.5,878 6.643,879 4.944,880 2.199,881 3.077,882 1.423,883 1.01,884 3.399,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.513,900 3.815,901 7.978,902 15.9,904 13.508,905 2.478,906 57,910 129.482,911 65.473,912 102.919,914 42.683,915 14.96,917 65.473,918 172.165,919 117.879,921 6.746,922 79.337,923 106.404,924 28.031,925 17.288,926 117.711,928 129.482,929 168.391,930 57.643,933 120.9,934 66.226,937 39.624,938 78.533,939 50.234,941 144.442,942 145.602,943 65.473,946 129.482,947 28.425,948 38.824,949 18.011,950 140.775,951 129.482,952 160.562,953 65.473,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.049,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 104.042,974 14.364,975 5.442,976 2.328,977 1.26,978 158.785,979 5.498,980 12.986,984 0.316,985 1.836,986 93.591,987 355.517,988 34,999 38.869,1000 43.615,1001 0.334,1002 0.794,1003 0.916,1004 0.96,1005 0.96,1006 0.96,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1013 0.278,1014 6.629,1015 4.245,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1031 0.05,1032 10.82,1033 5.814,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.283,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1049 0.008,1050 15.401,1051 7.711,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.558,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1067 0.001,1068 20.188,1069 9.795,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.811,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1086 25.08,1087 11.984,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.076,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1104 30.022,1105 14.232,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.359,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1122 34.989,1123 16.513,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.658,1133 4917,1134 8777,1135 17.512,1136 25.233,1137 39.656,1138 40.578,1139 41.079,1140 39.759,1141 39.736,1142 52.237,1143 0.8,1144 119.749,1145 37.631,1146 5.665,1147 5.396,1148 6.646,1149 5.387,1150 5.347,1151 7.733,1152 0.8,1153 19.683,1154 5.224,1155 10.157,1156 1.525,1157 1.561,1158 1.58,1159 1.529,1160 1.528,1161 2.009,1162 0.031,1163 4.606,1164 1.447,1165 4.142,1166 4.19,1167 4.123,1168 3.998,1169 8.201,1170 4.022,1171 3.858,1172 3.891,1173 3.814,1174 3.743,1175 6.465,1176 3.756,1177 3.749,1178 3.813,1179 3.64,1180 3.584,1181 5.254,1182 3.589,1183 3.276,1184 3.367,1185 3.223,1186 3.005,1187 4.87,1188 3.048,1189 3.038,1190 3.125,1191 2.964,1192 2.789,1193 4.573,1194 2.82,1195 2.931,1196 2.978,1197 2.804,1198 2.746,1199 4.427,1200 2.748,1201 2.866,1202 2.963,1203 2.739,1204 2.619,1205 4.271,1206 2.624,1207 2.818,1208 2.917,1209 2.562,1210 2.584,1211 3.699,1212 2.581,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.396,1221 0.015,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1228 0.4,1229 12.146,1230 3.224,1231 1.922,1232 1.903,1233 1.985,1234 2.034,1235 1.241,1236 2.014,1237 1.784,1238 1.74,1239 1.887,1240 1.972,1241 1.107,1242 1.948,1243 1.584,1244 1.527,1245 1.758,1246 1.779,1247 0.94,1248 1.775,1249 1.423,1250 1.329,1251 1.685,1252 1.704,1253 0.82,1254 1.71,1255 1.124,1256 1.069,1257 1.24,1258 1.381,1259 0.256,1260 1.351,1261 0.883,1262 0.839,1263 1.152,1264 1.231,1265 0.143,1266 1.208,1267 0.868,1268 0.773,1269 1.114,1270 1.134,1271 0.084,1272 1.13,1273 0.755,1274 0.665,1275 0.98,1276 1.055,1278 1.041,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1291 13.325,1293 6.018,1294 9.639,1295 2.656,1296 3.291,1299 0.176,1305 24.861,1306 66.705,1307 158.26,1308 182.666,1309 191.421,1310 191.421,1311 191.421,1312 39.934,1313 7.274,1314 101.88,1315 101.88,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 150.55,1325 248.3,1326 359.103,1327 12138,1328 2.6,1329 15.974,1330 0.695,1331 0.53,1332 15.104,1333 12.199,1334 11.148,1335 0.429,1336 0.282,1337 7.189,1338 10.58,1339 7.116,1340 5.83,1341 10.737,1342 7.332,1343 10.285,1344 0.271,1345 0.146,1346 9.789,1347 5.564,1348 9.187,1349 0.17,1350 0.076,1351 8.525,1352 4.118,1353 7.78,1354 0.104,1355 0.039,1356 7.672,1357 2.96,1358 6.179,1359 0.064,1360 0.019,1361 5.979,1362 1.796,1363 0.357,1364 70.973,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 432.486,1370 144.758,1371 394.984,1372 538.93,1373 368,1374 156,1375 405.783,1376 174.168,1377 401.884,1378 595.54,1379 379,1380 5.039}
{0 CHEMBL1242659,1 1.544,2 9.926,3 3.874,4 15.009,5 106.085,6 7.067,7 0.533,8 4.057,9 4.185,10 3.588,11 3.539,12 5.107,13 3.525,14 4.62,15 4.808,16 3.941,17 3.934,18 5.591,19 3.898,20 4.851,21 5.076,22 4.048,23 4.066,24 5.785,25 4.013,26 4.878,27 5.105,28 4.063,29 4.097,30 5.865,31 4.039,32 4.902,33 5.127,34 3.995,35 4.12,36 5.853,37 4.048,38 4.872,39 5.085,40 3.953,41 4.114,42 5.843,43 4.024,44 4.917,45 5.171,46 3.838,47 4.048,48 5.838,49 3.927,50 4.846,51 5.119,52 3.643,53 3.884,54 5.721,55 3.749,56 0.044,57 0.792,58 11.698,59 4.637,60 10.408,61 6.413,62 0.244,63 1.246,64 22.367,65 7.776,66 25.366,67 11.002,68 0.385,69 1.487,70 29.207,71 9.138,72 33.798,73 13.754,74 0.377,75 1.575,76 29.787,77 9.242,78 39.342,79 13.918,80 0.414,81 1.573,82 30.706,83 9.252,84 41.409,85 14.07,86 0.339,87 1.547,88 29.14,89 9.611,90 37.492,91 14.393,92 0.45,93 1.489,94 31.607,95 10.06,96 46.064,97 15.476,98 0.45,99 1.284,100 30.323,101 9.261,102 45.983,103 14.22,104 15,105 42,106 0.258,107 0.59,108 0.76,109 0.822,110 0.839,111 0.839,112 3.341,113 0.952,114 -5.08,115 -4.97,116 -4.66,119 38.5,120 1,121 5,124 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 10,177 1,178 1,180 1,183 7,185 1,186 2,187 11,195 5,198 2,199 12,201 3,202 3,204 1,207 4,209 1,211 1,212 10,217 2,220 6,222 2,223 2,224 6,229 3,232 8,234 3,236 3,237 2,239 1,240 1,242 2,245 7,247 2,249 2,250 4,252 1,253 1,255 1,258 5,260 1,263 5,271 1,275 1114,276 18.792,277 18.792,278 18.792,279 18.792,280 18.792,281 16.961,282 17.798,283 11.189,284 19.419,285 14.734,286 14.734,287 14.734,288 14.734,289 14.734,290 11.816,291 16.603,292 5.126,293 15.575,294 4.157,295 2.175,296 1.158,297 0.789,298 0.683,299 0.683,300 4.04,303 1,304 1,305 1,306 580,307 2.739,310 53.899,311 219.988,314 103.351,318 1.347,319 22.087,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 268,332 4.764,333 3.394,334 7.051,335 4.311,336 3.347,337 4.733,338 0.86,339 12.147,340 3.225,341 4.265,342 3.193,343 6.286,344 3.853,345 2.903,346 3.918,347 0.86,348 9.464,349 2.759,350 3.879,351 2.783,352 6.129,353 3.621,354 2.66,355 3.246,357 8.908,358 2.552,359 3.71,360 2.464,361 5.747,362 3.317,363 2.364,364 3.114,366 7.615,367 2.244,368 3.227,369 2.246,370 5.072,371 2.953,372 1.996,373 2.351,375 5.665,376 1.907,377 3.013,378 2.036,379 4.531,380 2.567,381 1.669,382 2.249,384 4.441,385 1.493,386 2.933,387 1.592,388 4.349,389 2.468,390 1.529,391 2.069,393 4.007,394 1.434,395 2.676,396 1.533,397 4.227,398 2.44,399 1.47,400 1.72,402 3.585,403 1.419,404 2.502,405 1.374,406 3.682,407 2.065,408 1.135,409 1.503,411 2.72,412 1.049,413 2.2,414 1.055,415 3.45,416 2,417 1,418 1.168,420 2.242,421 1,422 2.078,423 1,424 3.247,425 1.952,426 1,427 1.005,428 2.136,429 0.946,430 2,431 0.94,432 3.237,433 1.787,434 0.829,435 1,436 1.853,437 0.791,438 1.662,439 0.876,440 2.762,441 1.384,442 0.502,443 0.568,445 0.781,446 0.438,447 1.112,448 0.228,449 2.681,450 0.815,451 -0.108,452 -0.123,454 -0.183,455 -0.098,456 1.053,457 -0.138,458 2.534,459 0.632,460 -0.283,461 -0.354,463 -0.655,464 -0.258,465 12.667,466 0.469,467 0.534,468 0.02,469 33.5,470 1.241,471 15.5,472 0.574,473 18,474 0.667,475 24.592,476 0.911,477 29.933,478 0.576,479 24.135,480 0.894,481 6.119,482 0.227,483 7.105,484 0.263,485 0.111,487 0.347,493 0.876,494 1.369,495 0.826,496 1.202,497 0.944,498 1.033,499 1.11,500 1.109,501 0.863,502 0.999,503 0.78,504 0.918,505 1.004,506 1.126,507 0.822,508 0.917,509 0.748,510 0.853,511 0.973,512 1.061,513 0.932,514 0.98,515 0.893,516 0.947,517 1.231,518 1.039,519 1.095,520 0.941,521 1.124,522 0.979,523 0.966,524 1.233,525 1.153,526 1.208,527 1.224,528 1.203,529 0.714,530 1.066,531 1.032,532 1.117,533 1.11,534 1.114,535 0.906,536 0.968,537 1.003,538 1.028,539 0.995,540 1.029,541 4,542 0.066,543 3.111,544 2.104,545 1.838,546 1.07,547 0.642,548 0.471,549 0.277,550 0.167,551 7993,552 18422,553 2.12,554 48.1,555 6,556 9,558 1,559 2,561 7,564 1.708,565 2,566 3.264,567 0.267,569 1,573 80.278,574 1.544,575 3.526,576 4.542,577 4.912,578 5.018,579 5.018,580 2.7,581 4.533,582 4.722,583 3.377,584 1185.18,585 8.238,586 14598,588 1,590 1,591 296.423,592 1.352,593 4.694,594 0.133,595 0.005,596 0.074,597 0.046,598 0.04,599 0.025,600 0.016,601 0.014,602 0.01,603 0.009,604 0.372,605 0.17,606 1,607 0.983,608 131.073,609 0.015,610 -0.109,611 0.074,612 -0.073,613 -0.015,614 -0.002,615 -0.003,617 0.099,618 0.045,619 0.134,620 0.075,621 0.062,622 -0.086,623 0.158,624 0.08,625 0.171,626 0.125,627 0.02,628 0.033,629 0.041,630 -0.006,631 0.101,632 0.014,633 -0.174,634 0.042,635 -0.118,636 0.035,637 -0.134,638 -0.019,639 -0.052,640 -0.136,641 -0.206,642 -0.192,643 -0.169,644 -0.218,645 0.136,646 -0.061,647 -0.068,648 -0.136,649 -0.037,650 -0.131,651 0.09,652 -0.042,653 -0.009,654 -0.072,655 0.063,656 -0.056,657 1.218,658 2.225,659 0.778,660 23.435,661 1,662 1.136,663 3.846,664 14.789,665 0.645,666 3.434,667 3.761,668 4.111,669 4.443,670 4.718,671 4.86,672 5.05,673 5.22,674 5.303,675 5.347,676 5.735,677 0.612,678 367.5,679 3.434,680 4.977,681 5.855,682 6.756,683 7.66,684 8.573,685 9.488,686 10.409,687 11.329,688 12.253,689 9.6,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 52,733 16,734 1,735 30,737 55,738 20,739 11,740 3,741 3,746 4,747 5,752 1,755 6,758 6,761 11,762 9,778 1,781 25,782 6,783 2,784 7,790 5,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,840 3,844 2,848 27,849 1,854 6,856 2,858 1,870 3.8,875 2,877 13.5,878 9.883,879 6.111,880 3.447,881 3.104,882 1.407,883 0.982,884 5.28,885 10.733,886 3.664,887 4.287,888 4.969,889 5.64,890 6.228,891 6.656,892 7.136,893 7.604,894 7.917,895 8.229,896 0.857,897 46,898 9.978,900 4.21,901 7.574,902 19.438,904 16.105,905 2.074,906 56,908 1,909 1,910 270.735,911 97.066,912 84.908,914 22,917 97.066,918 292.735,919 84.908,920 19.708,921 17.265,922 61.326,923 63.72,924 51.397,925 2.328,926 258.964,928 270.735,929 181.974,930 22,933 188.338,934 104.397,937 40.957,938 90.782,939 50.234,941 270.735,942 106.908,943 97.066,946 270.735,947 40.31,948 58.532,950 105.131,951 270.735,952 106.908,953 97.066,955 0.569,956 0.352,957 0.209,958 0.12,959 21,960 9,961 0.091,962 5,963 1,964 1.095,965 3.77,966 244.282,967 0.095,968 21,969 124.382,974 18.206,975 7.83,976 3.396,977 1.603,978 105.131,979 7.335,980 13.638,984 3.533,985 2.046,986 32.897,987 474.709,988 38,999 52,1000 59.062,1001 0.271,1002 0.619,1003 0.797,1004 0.862,1005 0.88,1006 0.88,1007 4.905,1008 1.47,1009 5.838,1010 4.007,1011 4.443,1012 4.973,1013 1.376,1014 6.703,1015 4.345,1016 6.109,1017 1.135,1018 7.424,1019 3.585,1020 4.007,1021 4.856,1023 7.722,1024 3.871,1025 7.432,1026 1,1027 9.117,1028 2.72,1029 6.071,1030 7.256,1031 1.159,1032 10.888,1033 5.892,1034 8.8,1035 1,1036 10.875,1037 2.242,1038 6.524,1039 8.05,1041 12.776,1042 6.303,1043 10.208,1044 0.829,1045 12.675,1046 2.136,1047 8.026,1048 9.91,1049 0.963,1050 15.462,1051 7.774,1052 11.646,1053 0.502,1054 14.504,1055 1.853,1056 8.883,1057 11.115,1059 17.698,1060 8.587,1061 13.105,1062 -0.108,1063 16.354,1064 0.781,1065 10.173,1066 12.772,1067 0.787,1068 20.236,1069 9.847,1070 3.347,1071 -0.283,1072 18.219,1073 -0.183,1074 11.213,1075 14.165,1077 22.617,1078 10.845,1079 2.903,1080 12.147,1081 20.096,1082 -0.655,1083 12.427,1084 15.746,1085 0.634,1086 25.114,1087 12.027,1088 2.66,1089 9.464,1090 21.983,1091 4.733,1092 13.549,1093 17.224,1095 27.557,1096 13.11,1097 2.364,1098 8.908,1099 23.879,1100 3.918,1101 14.74,1102 18.779,1103 0.504,1104 30.045,1105 14.268,1106 1.996,1107 7.615,1108 25.781,1109 3.246,1110 15.9,1111 20.295,1113 32.516,1114 15.39,1115 1.669,1116 5.665,1117 27.689,1118 3.114,1119 17.087,1120 21.844,1121 0.395,1122 35.005,1123 16.543,1124 1.529,1125 4.441,1126 29.602,1127 2.351,1128 18.266,1129 23.377,1131 37.488,1132 17.685,1133 7720,1134 11892,1135 20.285,1136 33.552,1137 44.884,1138 45.469,1139 46.816,1140 44.821,1141 44.806,1142 57.289,1143 3.44,1144 131.123,1145 42.512,1146 5.764,1147 5.394,1148 6.852,1149 5.384,1150 5.347,1151 7.733,1152 1.72,1153 19.683,1154 5.225,1155 11.634,1156 1.496,1157 1.516,1158 1.561,1159 1.494,1160 1.494,1161 1.91,1162 0.115,1163 4.371,1164 1.417,1165 4.144,1166 4.191,1167 4.124,1168 4.004,1169 5.257,1170 4.026,1171 3.874,1172 3.901,1173 3.821,1174 3.767,1175 4.936,1176 3.772,1177 3.79,1178 3.841,1179 3.667,1180 3.663,1181 4.83,1182 3.662,1183 3.465,1184 3.536,1185 3.305,1186 3.26,1187 4.513,1188 3.252,1189 3.324,1190 3.412,1191 3.218,1192 3.061,1193 4.478,1194 3.09,1195 3.242,1196 3.311,1197 3.073,1198 2.979,1199 4.274,1200 2.989,1201 3.111,1202 3.206,1203 2.923,1204 2.941,1205 4.148,1206 2.91,1207 3.045,1208 3.119,1209 2.866,1210 2.881,1211 3.74,1212 2.88,1213 0.159,1214 0.113,1215 0.235,1216 0.144,1217 0.112,1218 4.764,1219 0.158,1220 3.394,1221 0.029,1222 7.051,1223 0.405,1224 4.311,1225 0.108,1226 3.347,1227 4.733,1228 0.86,1229 12.147,1230 3.225,1231 1.929,1232 1.911,1233 2.099,1234 2.074,1235 1.486,1236 2.077,1237 1.892,1238 1.839,1239 1.995,1240 2.022,1241 1.131,1242 2.014,1243 1.731,1244 1.691,1245 1.82,1246 1.908,1247 0.947,1248 1.891,1249 1.462,1250 1.39,1251 1.771,1252 1.704,1253 0.906,1254 1.729,1255 1.309,1256 1.238,1257 1.574,1258 1.589,1259 0.825,1260 1.571,1261 1.191,1262 1.116,1263 1.513,1264 1.494,1265 0.768,1266 1.509,1267 1.153,1268 1.064,1269 1.504,1270 1.376,1271 0.573,1272 1.429,1273 1.023,1274 0.961,1275 1.218,1276 1.25,1277 0.257,1278 1.257,1279 4.111,1281 5.434,1282 2.398,1283 6.974,1284 4.844,1285 8.616,1286 7.081,1287 10.309,1289 3.586,1293 6.225,1295 6.544,1297 11.134,1299 0.355,1305 31.805,1306 80.278,1307 183.348,1308 236.184,1309 255.403,1310 260.913,1311 260.913,1312 39.72,1313 7.629,1314 88.08,1315 88.08,1316 23,1317 12.76,1318 4.087,1319 3.17,1320 39.907,1321 90,1322 111,1323 0.218,1324 194.516,1325 326.52,1326 466.379,1327 19342,1329 18.803,1330 0.696,1331 0.586,1332 18.803,1333 15.812,1334 13.224,1335 0.441,1336 0.317,1337 9.371,1338 12.608,1339 9.156,1340 7.609,1341 13.224,1342 9.525,1343 11.401,1344 0.271,1345 0.163,1346 11.401,1347 6.841,1348 10.162,1349 0.169,1350 0.086,1351 10.162,1352 5.176,1353 8.981,1354 0.107,1355 0.046,1356 8.981,1357 3.867,1358 7.545,1359 0.068,1360 0.025,1361 7.545,1362 2.814,1363 0.33,1364 83.509,1365 0.222,1366 25.346,1367 0.634,1368 144,1369 403.364,1370 159.858,1371 384.341,1372 542.21,1373 364,1374 174,1375 418.293,1376 191.386,1377 419.046,1378 621.33,1379 395,1380 6.211}
{0 CHEMBL1242660,1 1.652,2 8.08,3 2.377,4 5.65,5 95.953,6 7.466,7 0.593,8 3.945,9 4.066,10 3.511,11 3.361,12 5.111,13 3.379,14 4.462,15 4.649,16 3.861,17 3.706,18 5.533,19 3.724,20 4.549,21 4.706,22 4.024,23 3.867,24 5.703,25 3.881,26 4.738,27 4.922,28 4.076,29 3.985,30 5.879,31 3.969,32 4.836,33 5.029,34 3.938,35 4.012,36 5.877,37 3.961,38 4.79,39 4.986,40 3.872,41 3.971,42 5.842,43 3.893,44 4.881,45 5.161,46 3.738,47 3.86,48 5.862,49 3.744,50 4.687,51 4.96,52 3.545,53 3.607,54 5.631,55 3.518,56 0.098,57 0.685,58 9.727,59 3.778,60 10.834,61 5.08,62 0.433,63 1.009,64 19.278,65 5.756,66 29.861,67 7.995,68 0.465,69 1.195,70 19.503,71 6.112,72 24.146,73 8.806,74 0.506,75 1.365,76 24.284,77 7.867,78 37.23,79 11.176,80 0.678,81 1.375,82 28.19,83 8.412,84 45.541,85 11.9,86 0.487,87 1.338,88 26.051,89 8.628,90 36.091,91 12.56,92 0.768,93 1.256,94 32.144,95 8.723,96 65.021,97 14.089,98 0.608,99 0.967,100 27.038,101 7.109,102 44.463,103 11.091,104 53,105 39,106 0.284,107 0.61,108 0.713,109 0.724,110 0.734,111 0.765,112 3.269,113 0.867,114 -3.63,115 -3.6,116 -3.43,119 37,120 2,124 3,127 1,142 2,143 2,144 3,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 9,177 1,178 1,180 1,183 3,185 1,186 3,187 9,195 2,198 3,199 9,201 3,202 3,204 1,207 2,209 1,211 2,212 6,217 2,220 2,222 2,223 3,224 3,229 2,232 4,234 2,236 5,239 2,240 2,249 2,250 4,252 1,253 1,263 2,275 842,276 16.886,277 16.886,278 16.886,279 16.886,280 16.886,281 15.055,282 19.638,283 9.594,284 17.657,285 13.098,286 13.098,287 13.098,288 13.098,289 13.098,290 10.041,291 18.829,292 4.203,293 14.046,294 3.872,295 1.979,296 1.381,297 1.322,298 1.262,299 1.082,300 3.943,303 1,304 1,305 1,306 420,307 3.24,310 50.524,311 137.091,314 96.378,318 1.13,319 24.192,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 202,332 4.765,333 3.422,334 7.042,335 4.309,336 3.345,337 4.734,338 0.86,339 12.099,340 3.225,341 4.406,342 3.309,343 6.532,344 3.983,345 3.04,346 4.099,347 0.86,348 10.286,349 2.862,350 3.83,351 2.685,352 6.119,353 3.509,354 2.557,355 3.228,356 0.86,357 8.678,358 2.429,359 3.716,360 2.555,361 5.729,362 3.315,363 2.361,364 3.131,366 7.491,367 2.247,368 3.355,369 2.448,370 5.19,371 2.972,372 2.061,373 2.604,375 6.118,376 1.867,377 3.033,378 1.984,379 4.82,380 2.684,381 1.743,382 2.255,384 4.819,385 1.636,386 2.989,387 1.818,388 4.538,389 2.468,390 1.536,391 2.127,393 4.281,394 1.427,395 2.54,396 1.51,397 3.899,398 2.059,399 1.179,400 1.556,402 2.821,403 1.037,404 2.19,405 1.105,406 3.716,407 1.909,408 1,409 1.155,411 2.31,412 0.899,413 2.071,414 0.955,415 3.459,416 1.728,417 0.79,418 0.985,420 1.885,421 0.738,422 1.576,423 0.916,424 2.859,425 1.27,426 0.396,427 0.452,428 0.603,429 0.342,430 1.401,431 0.817,432 2.65,433 1.148,434 0.308,435 0.33,436 0.392,437 0.257,438 1.061,439 0.105,440 2.482,441 0.637,442 -0.279,443 -0.35,445 -0.624,446 -0.255,447 0.871,448 -0.162,449 2.42,450 0.487,451 -0.428,452 -0.521,454 -0.822,455 -0.384,456 0.65,457 -0.339,458 2.294,459 0.24,460 -0.694,461 -0.878,463 -1.641,464 -0.637,465 11.5,466 0.46,467 0.661,468 0.026,469 33,470 1.32,471 16,472 0.64,473 17,474 0.68,475 20.808,476 0.832,477 28.1,478 0.611,479 25.72,480 1.029,481 6.701,482 0.268,483 5.31,484 0.212,485 0.252,487 0.426,493 0.919,494 1.491,495 0.781,496 1.3,497 1.028,498 1.05,499 1.326,500 0.906,501 0.731,502 0.667,503 0.967,504 0.598,505 0.929,506 1.284,507 0.813,508 1.001,509 0.79,510 0.884,511 0.881,512 1.12,513 0.906,514 1.104,515 0.863,516 1.015,517 1.404,518 1.058,519 1.255,520 1.045,521 1.208,522 1.114,523 0.917,524 1.385,525 1.181,526 1.404,527 1.121,528 1.364,529 0.602,530 0.867,531 0.898,532 0.957,533 0.939,534 0.973,535 1.009,536 0.899,537 0.882,538 0.913,539 0.692,540 0.881,541 5,542 0.012,543 3.333,544 2.604,545 2.358,546 1.07,547 0.744,548 0.616,549 0.347,550 0.097,551 5662,552 16169,553 1.992,554 45.7,556 12,558 1,559 2,561 6,564 1.69,565 1.807,566 3.022,567 0.352,568 1,569 1,573 75.994,574 1.652,575 3.545,576 4.142,577 4.202,578 4.262,579 4.442,580 2.407,581 4.023,582 4.617,583 3.145,584 943.479,585 8.034,586 11015.2,588 1,590 1,591 254.084,592 1.554,593 4.541,594 0.185,595 0.004,596 0.085,597 0.058,598 0.051,599 0.027,600 0.021,601 0.021,602 0.014,603 0.007,604 0.476,605 0.33,606 1,607 1.103,608 116.965,609 -0.034,610 -0.221,611 0.069,612 -0.172,613 -0.131,614 -0.049,615 -0.126,616 0.167,617 0.244,618 0.337,619 0.025,620 0.356,621 0.087,622 -0.083,623 0.097,624 0.037,625 0.105,626 0.073,627 0.069,628 0.023,629 0.017,630 -0.085,631 0.104,632 -0.05,633 -0.25,635 -0.295,636 -0.044,637 -0.217,638 -0.161,639 -0.024,640 -0.315,641 -0.263,642 -0.363,643 -0.157,644 -0.37,645 0.235,646 0.047,647 0.101,648 -0.028,649 0.099,650 0.008,651 0.064,652 -0.055,653 0.157,654 0.013,655 0.276,656 0.093,657 1.291,658 2.113,659 0.6,660 18.573,661 1.012,662 1.14,663 2.4,664 5.759,665 0.641,666 3.332,667 3.689,668 4.043,669 4.369,670 4.615,671 4.754,672 4.875,673 5.004,674 5.024,675 4.97,676 5.122,677 0.619,678 343.43,679 3.332,680 4.89,681 5.778,682 6.693,683 7.605,684 8.529,685 9.449,686 10.375,687 11.299,688 12.227,689 10.9,693 1,697 1,699 3,703 2,704 3,705 3,709 6,710 1,711 16,722 1,729 3,731 46,733 16,734 1,735 27,737 48,738 17,739 11,740 4,741 2,746 3,747 4,752 2,758 1,761 11,762 6,777 1,778 1,781 21,782 7,783 2,784 8,790 5,794 0.667,795 3,803 1,806 1,811 1,812 2,815 1,840 2,844 5,848 25,849 1,856 3,858 1,870 6.5,875 3,877 13.833,878 9.967,879 5.722,880 2.523,881 3.175,882 1.44,883 0.947,884 4.902,885 10.394,886 3.584,887 4.259,888 4.969,889 5.646,890 6.225,891 6.654,892 7.106,893 7.561,894 7.857,895 8.151,896 1,897 45,898 9.161,900 3.767,901 7.747,902 17.262,904 13.505,905 2.247,906 56.167,909 1,910 223.651,911 106.159,912 84.908,914 33,917 106.159,918 256.651,919 84.908,920 50.3,922 51.85,923 63.72,924 67.64,925 2.328,926 211.88,928 223.651,929 191.067,930 33,933 153.024,934 103.626,937 32.518,938 108.316,939 50.234,941 223.651,942 117.907,943 106.159,946 223.651,947 28.289,948 79.647,950 116.131,951 223.651,952 117.907,953 106.159,955 0.579,956 0.371,957 0.217,958 0.121,959 19,960 10,961 0.104,962 5,963 1,964 1.133,965 3.409,966 217.986,967 0.133,968 15,969 106.096,974 17.61,975 6.96,976 2.95,977 1.386,978 116.131,979 5.109,980 13.17,984 3.423,985 1.825,986 32.897,987 447.718,988 35,999 46.56,1000 52.441,1001 0.299,1002 0.642,1003 0.75,1004 0.761,1005 0.772,1006 0.804,1007 4.836,1008 1.179,1009 5.796,1010 4.281,1011 4.369,1012 4.945,1013 1.693,1014 6.698,1015 4.248,1016 6.082,1017 1,1018 7.416,1019 2.821,1020 4.111,1021 4.956,1023 7.794,1024 3.966,1025 7.43,1026 0.79,1027 9.137,1028 2.31,1029 6.047,1030 7.288,1031 1.454,1032 10.938,1033 5.837,1034 8.822,1035 0.396,1036 10.916,1037 1.885,1038 6.608,1039 8.138,1041 12.845,1042 6.368,1043 10.247,1044 0.308,1045 12.73,1046 0.603,1047 8.044,1048 9.97,1049 1.232,1050 15.528,1051 7.758,1052 11.697,1053 -0.279,1054 14.569,1055 0.392,1056 8.96,1057 11.198,1059 17.765,1060 8.638,1061 13.166,1062 -0.428,1063 16.426,1064 -0.624,1065 10.221,1066 12.843,1067 1.028,1068 20.299,1069 9.86,1070 3.345,1071 -0.694,1072 18.296,1073 -0.822,1074 11.291,1075 14.243,1077 22.674,1078 10.892,1079 3.04,1080 12.099,1081 20.177,1082 -1.641,1083 12.493,1084 15.818,1085 0.845,1086 25.164,1087 12.06,1088 2.557,1089 10.286,1090 22.067,1091 4.734,1092 13.629,1093 17.296,1095 27.597,1096 13.158,1097 2.361,1098 8.678,1099 23.964,1100 4.099,1101 14.816,1102 18.847,1103 0.684,1104 30.076,1105 14.31,1106 2.061,1107 7.491,1108 25.867,1109 3.228,1110 15.981,1111 20.36,1113 32.536,1114 15.438,1115 1.743,1116 6.118,1117 27.775,1118 3.131,1119 17.166,1120 21.904,1121 0.546,1122 35.014,1123 16.589,1124 1.536,1125 4.819,1126 29.688,1127 2.604,1128 18.345,1129 23.434,1131 37.487,1132 17.732,1133 5754,1134 9854,1135 17.224,1136 29.483,1137 40.631,1138 41.754,1139 44.312,1140 40.485,1141 40.633,1142 53.314,1143 5.16,1144 123.564,1145 37.932,1146 5.454,1147 5.422,1148 6.584,1149 5.382,1150 5.345,1151 7.734,1152 1.72,1153 19.579,1154 5.225,1155 15.301,1156 1.505,1157 1.546,1158 1.641,1159 1.499,1160 1.505,1161 1.975,1162 0.191,1163 4.576,1164 1.405,1165 4.135,1166 4.18,1167 4.119,1168 3.994,1169 5.258,1170 4.019,1171 3.869,1172 3.882,1173 3.837,1174 3.736,1175 4.977,1176 3.759,1177 3.577,1178 3.655,1179 3.445,1180 3.407,1181 4.844,1182 3.4,1183 3.303,1184 3.36,1185 3.194,1186 3.057,1187 4.58,1188 3.086,1189 3.298,1190 3.355,1191 3.144,1192 3.006,1193 4.518,1194 3.026,1195 3.208,1196 3.287,1197 2.993,1198 2.901,1199 4.454,1200 2.903,1201 3.091,1202 3.193,1203 2.917,1204 2.82,1205 4.179,1206 2.828,1207 2.98,1208 3.088,1209 2.836,1210 2.678,1211 3.985,1212 2.713,1213 0.176,1214 0.127,1215 0.261,1216 0.16,1217 0.124,1218 4.765,1219 0.175,1220 3.422,1221 0.032,1222 7.042,1223 0.448,1224 4.309,1225 0.119,1226 3.345,1227 4.734,1228 0.86,1229 12.099,1230 3.225,1231 1.922,1232 1.91,1233 1.977,1234 2.041,1235 1.155,1236 2.019,1237 1.794,1238 1.75,1239 1.942,1240 1.993,1241 1.116,1242 1.972,1243 1.612,1244 1.55,1245 1.771,1246 1.821,1247 0.836,1248 1.816,1249 1.239,1250 1.182,1251 1.59,1252 1.558,1253 0.584,1254 1.565,1255 1.227,1256 1.163,1257 1.572,1258 1.525,1259 0.573,1260 1.538,1261 1.164,1262 1.077,1263 1.542,1264 1.487,1265 0.561,1266 1.505,1267 1.03,1268 0.938,1269 1.417,1270 1.347,1271 0.469,1272 1.333,1273 0.934,1274 0.804,1275 1.228,1276 1.239,1277 0.221,1278 1.308,1279 4.007,1281 5.352,1282 2.398,1283 6.911,1284 4.844,1285 8.571,1286 7.081,1287 10.284,1289 8.773,1293 6.113,1297 16.249,1299 0.118,1305 28.466,1306 75.994,1307 163.064,1308 190.535,1309 193.29,1310 196.045,1311 204.309,1312 40.001,1313 7.219,1314 97.31,1315 97.31,1316 17,1317 12.731,1318 4.087,1319 3.17,1320 41.337,1321 76,1322 74,1323 0.276,1324 177.128,1325 295.77,1326 423.953,1327 11022,1329 18.137,1330 0.725,1331 0.596,1332 18.137,1333 14.9,1334 12.011,1335 0.445,1336 0.289,1337 7.6,1338 11.232,1339 7.257,1340 6.142,1341 12.011,1342 7.804,1343 10.597,1344 0.272,1345 0.148,1346 10.597,1347 5.758,1348 9.341,1349 0.167,1350 0.07,1351 9.341,1352 3.945,1353 8.204,1354 0.105,1355 0.036,1356 8.204,1357 2.775,1358 6.702,1359 0.067,1360 0.019,1361 6.702,1362 1.901,1363 0.411,1364 77.553,1365 0.241,1366 23.366,1367 0.827,1368 132,1369 437.099,1370 150.072,1371 409.386,1372 567.84,1373 386,1374 161,1375 428.929,1376 181.153,1377 433.888,1378 637.49,1379 402,1380 4}
{0 CHEMBL1242661,1 1.549,2 9.958,3 2.941,4 8.647,5 95.058,6 7.79,7 0.778,8 3.841,9 3.964,10 3.46,11 3.384,12 4.995,13 3.382,14 4.336,15 4.506,16 3.827,17 3.763,18 5.447,19 3.752,20 4.494,21 4.668,22 3.886,23 3.882,24 5.586,25 3.855,26 4.53,27 4.717,28 3.83,29 3.89,30 5.633,31 3.829,32 4.555,33 4.777,34 3.669,35 3.827,36 5.55,37 3.74,38 4.503,39 4.744,40 3.513,41 3.719,42 5.493,43 3.62,44 4.394,45 4.663,46 3.342,47 3.58,48 5.282,49 3.456,50 4.163,51 4.417,52 3.135,53 3.332,54 5.12,55 3.215,56 0.054,57 0.651,58 7.739,59 3.368,60 8.25,61 4.295,62 0.204,63 1.011,64 14.677,65 5.577,66 18.167,67 7.253,68 0.218,69 1.153,70 17.555,71 6.567,72 21.279,73 8.531,74 0.24,75 1.221,76 17.833,77 7,78 25.001,79 9.388,80 0.179,81 1.171,82 19.831,83 7.253,84 23.723,85 10.12,86 0.238,87 1.092,88 19.664,89 6.602,90 31.556,91 9.325,92 0.154,93 0.942,94 18.472,95 6.639,96 21.667,97 9.712,98 0.163,99 0.743,100 14.333,101 5.078,102 19.667,103 7.356,104 12,105 39,106 0.269,107 0.642,108 0.789,109 0.863,110 0.872,111 0.872,112 3.229,113 0.864,114 -4.95,115 -4.86,116 -4.56,119 43.9,120 1,124 1,125 1,142 6,143 4,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 8,177 1,178 1,180 1,183 13,185 1,186 1,187 5,195 12,198 2,199 8,201 3,202 3,204 1,207 8,209 1,212 10,217 2,220 5,222 2,224 9,229 2,232 4,234 2,237 6,242 2,245 2,247 2,249 1,250 5,255 2,258 1,260 2,262 1,275 748,276 16.455,277 16.455,278 16.455,279 16.455,280 16.455,281 14.032,282 11.716,283 9.616,284 16.909,285 13.303,286 13.303,287 13.303,288 13.303,289 13.303,290 9.605,291 10.814,292 4.479,293 13.951,294 3.809,295 1.656,296 0.805,297 0.378,298 0.33,299 0.33,300 3.929,303 1,304 1,305 1,306 526,307 2.55,310 44.577,311 164.193,314 85.521,315 91.034,318 1.715,319 16.698,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 239,332 4.741,333 3.329,334 6.987,335 4.273,336 3.306,337 4.724,338 0.86,339 11.875,340 3.202,341 4.428,342 3.028,343 6.241,344 3.938,345 2.949,346 4.361,348 9.42,349 2.915,350 3.857,351 2.695,352 5.889,353 3.447,354 2.485,355 3.353,357 8.075,358 2.39,359 3.65,360 2.378,361 5.505,362 3.195,363 2.262,364 3.088,366 6.815,367 2.108,368 3.546,369 2.348,370 5.247,371 3.135,372 2.193,373 2.914,375 6.579,376 2.054,377 3.118,378 1.618,379 4.514,380 2.618,381 1.618,382 2.427,384 4.455,385 1.618,386 3.005,387 1.561,388 4.378,389 2.455,390 1.516,391 2.251,393 4.096,394 1.42,395 2.712,396 1.459,397 4.327,398 2.244,399 1.299,400 1.799,402 3.658,403 1.224,404 2.466,405 1.39,406 3.634,407 2.027,408 1.112,409 1.453,411 2.508,412 1.007,413 2.273,414 1.039,415 3.304,416 1.951,417 1.01,418 1.224,420 1.989,421 0.947,422 2.091,423 0.712,424 3.167,425 1.672,426 0.683,427 0.97,428 1.567,429 0.675,430 1.241,431 0.095,432 2.701,433 0.871,434 -0.09,435 -0.111,436 -0.182,437 -0.085,438 1.091,439 -0.084,440 2.443,441 0.668,442 -0.246,443 -0.309,445 -0.573,446 -0.224,447 0.882,448 -0.456,449 2.369,450 0.382,451 -0.591,452 -0.707,454 -1.202,455 -0.564,456 0.765,457 -0.523,458 2.277,459 0.365,460 -0.618,461 -0.821,463 -1.514,464 -0.574,465 11.333,466 0.472,467 0.589,468 0.025,469 35,470 1.458,471 19,472 0.792,473 16,474 0.667,475 16.208,476 0.675,477 24.667,478 0.602,479 24.541,480 1.023,481 6.883,482 0.287,483 4.786,484 0.199,485 0.124,487 0.388,493 0.879,494 1.195,495 0.739,496 1.006,497 1.073,498 0.876,499 1.079,500 0.883,501 0.739,502 0.779,503 0.726,504 0.725,505 1.309,506 1.06,507 0.908,508 0.898,509 1.039,510 0.865,511 0.791,512 1.058,513 1.049,514 1.157,515 0.888,516 1.146,517 0.933,518 1.137,519 1.067,520 1.13,521 0.813,522 1.117,523 1.109,524 1.017,525 1.152,526 1.021,527 1.371,528 1.073,529 0.611,530 1.002,531 0.884,532 1.009,533 0.755,534 0.987,535 0.692,536 1.087,537 0.982,538 1.125,539 0.771,540 1.1,541 4.5,542 0.078,543 2.889,544 1.979,545 1.85,546 0.639,547 0.504,548 0.417,549 0.145,550 0.158,551 6274,552 16273,553 2.135,554 41.5,556 11,558 1,559 2,561 3,564 1.669,565 2,566 3.24,567 0.296,568 1,569 1,571 1,573 63.504,574 1.549,575 3.701,576 4.552,577 4.979,578 5.028,579 5.028,580 2.757,581 4.502,582 4.552,583 3.391,584 935.796,585 7.858,586 10576.3,587 1,588 1,590 1,591 219.66,592 1.406,593 4.518,594 0.167,595 0.008,596 0.074,597 0.048,598 0.05,599 0.021,600 0.019,601 0.019,602 0.009,603 0.013,604 0.427,605 0.33,606 1,607 0.948,608 112.754,609 0.007,610 -0.053,611 0.061,612 -0.026,613 -0.182,614 0.017,615 0.023,616 0.192,617 0.159,618 0.19,619 0.141,620 0.192,621 -0.158,622 -0.022,623 0.003,624 0.08,625 -0.075,626 0.062,627 0.082,628 0.005,629 -0.159,630 -0.192,631 0.04,632 -0.216,633 -0.106,634 -0.153,635 -0.123,636 -0.147,637 0.014,638 -0.137,639 -0.197,640 -0.035,641 -0.173,642 -0.058,643 -0.273,644 -0.1,645 0.045,646 -0.101,647 0.12,648 0.003,649 0.066,650 0.063,651 0.124,652 -0.169,653 0.02,654 -0.13,655 0.14,656 -0.079,657 1.227,658 2.057,659 0.792,660 19.611,661 1.003,662 1.127,663 3.724,664 13.866,665 0.684,666 3.332,667 3.689,668 4.025,669 4.357,670 4.625,671 4.71,672 4.868,673 5.043,674 5.153,675 5.193,676 5.663,677 0.658,678 319.4,679 3.332,680 4.89,681 5.771,682 6.678,683 7.58,684 8.493,685 9.403,686 10.318,687 11.232,688 12.148,689 12.2,693 1,697 1,699 3,703 4,704 7,705 3,709 4,710 1,711 21,722 1,729 1,731 41,733 21,734 2,735 27,737 44,738 18,739 15,740 4,741 6,746 4,747 6,752 1,761 15,762 3,777 1,778 1,781 17,782 5,783 2,784 6,790 5,794 0.5,795 1,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 24,849 1,854 1,856 1,870 2.4,875 1,877 12,878 8.133,879 5.25,880 2.483,881 4.327,882 1.568,883 1.033,884 3.583,885 11.947,886 3.651,887 4.366,888 5.084,889 5.784,890 6.41,891 6.823,892 7.334,893 7.868,894 8.307,895 8.66,896 0.857,897 41,898 8.801,900 3.738,901 7.639,902 16.851,904 13.811,905 2.139,906 51.333,909 1,910 176.567,911 110.238,912 84.908,914 11,917 110.238,918 187.566,919 84.908,920 17.222,921 4.592,922 89.755,923 63.72,924 40.3,925 2.328,926 164.795,928 176.567,929 195.146,930 11,933 141.253,934 46.313,937 28.285,938 116.627,939 50.234,941 176.567,942 95.908,943 110.238,946 176.567,947 27.54,948 84.474,950 94.131,951 176.567,952 95.908,953 110.238,955 0.583,956 0.354,957 0.206,958 0.116,959 21,960 9,961 0.068,962 3,963 2,964 1.211,965 3.582,966 207.058,967 0.211,968 19,969 110.039,974 14.912,975 5.767,976 2.507,977 3.744,978 94.131,979 13.715,980 12.957,984 3.091,985 1.727,986 32.897,987 382.712,988 37.5,999 41.138,1000 46.192,1001 0.289,1002 0.691,1003 0.85,1004 0.929,1005 0.938,1006 0.938,1007 4.885,1008 1.299,1009 5.771,1010 4.096,1011 4.369,1012 5.053,1013 0.908,1014 6.637,1015 4.29,1016 6.135,1017 1.112,1018 7.361,1019 3.658,1020 4.007,1021 5.007,1023 7.63,1024 3.908,1025 7.477,1026 1.01,1027 9.051,1028 2.508,1029 6.009,1030 7.428,1031 0.739,1032 10.78,1033 5.873,1034 8.86,1035 0.683,1036 10.801,1037 1.989,1038 6.479,1039 8.233,1041 12.629,1042 6.325,1043 10.277,1044 -0.09,1045 12.59,1046 1.567,1047 7.958,1048 10.119,1049 0.593,1050 15.304,1051 7.777,1052 11.719,1053 -0.246,1054 14.407,1055 -0.182,1056 8.813,1057 11.321,1059 17.514,1060 8.61,1061 13.18,1062 -0.591,1063 16.243,1064 -0.573,1065 10.091,1066 12.993,1067 0.469,1068 20.038,1069 9.864,1070 3.306,1071 -0.618,1072 18.097,1073 -1.202,1074 11.124,1075 14.379,1077 22.399,1078 10.87,1079 2.949,1080 11.875,1081 19.963,1082 -1.514,1083 12.328,1084 15.965,1085 0.366,1086 24.878,1087 12.05,1088 2.485,1089 9.42,1090 21.84,1091 4.724,1092 13.441,1093 17.434,1095 27.302,1096 13.133,1097 2.262,1098 8.075,1099 23.726,1100 4.361,1101 14.622,1102 18.987,1103 0.283,1104 29.77,1105 14.287,1106 2.193,1107 6.815,1108 25.62,1109 3.353,1110 15.771,1111 20.493,1113 32.22,1114 15.405,1115 1.618,1116 6.579,1117 27.521,1118 3.088,1119 16.948,1120 22.034,1121 0.217,1122 34.687,1123 16.552,1124 1.516,1125 4.455,1126 29.427,1127 2.914,1128 18.114,1129 23.556,1131 37.149,1132 17.686,1133 5985,1134 9775,1135 18.205,1136 28.051,1137 41.22,1138 41.064,1139 42.829,1140 40.888,1141 40.865,1142 57.128,1143 1.72,1144 122.073,1145 39.12,1146 5.444,1147 5.329,1148 6.755,1149 5.346,1150 5.306,1151 7.724,1152 1.72,1153 19.21,1154 5.202,1155 10.78,1156 1.527,1157 1.521,1158 1.586,1159 1.514,1160 1.514,1161 2.116,1162 0.064,1163 4.521,1164 1.449,1165 4.158,1166 4.194,1167 4.134,1168 4.079,1169 5.259,1170 4.084,1171 4,1172 4.034,1173 3.968,1174 3.869,1175 4.948,1176 3.894,1177 3.56,1178 3.604,1179 3.467,1180 3.41,1181 4.85,1182 3.417,1183 3.401,1184 3.493,1185 3.299,1186 3.221,1187 4.58,1188 3.206,1189 3.349,1190 3.42,1191 3.186,1192 3.088,1193 4.463,1194 3.119,1195 3.069,1196 3.129,1197 2.961,1198 2.968,1199 4.11,1200 2.958,1201 2.973,1202 3.071,1203 2.859,1204 2.787,1205 3.854,1206 2.796,1207 2.889,1208 2.986,1209 2.678,1210 2.579,1211 3.732,1212 2.597,1213 0.176,1214 0.123,1215 0.259,1216 0.158,1217 0.122,1218 4.741,1219 0.175,1220 3.329,1221 0.032,1222 6.987,1223 0.44,1224 4.273,1225 0.119,1226 3.306,1227 4.724,1228 0.86,1229 11.875,1230 3.202,1231 2.077,1232 2.062,1233 2.149,1234 2.133,1235 1.299,1236 2.138,1237 1.814,1238 1.776,1239 1.87,1240 2,1241 0.977,1242 1.965,1243 1.564,1244 1.519,1245 1.804,1246 1.785,1247 0.933,1248 1.78,1249 1.445,1250 1.367,1251 1.683,1252 1.705,1253 0.752,1254 1.709,1255 1.323,1256 1.247,1257 1.556,1258 1.514,1259 0.589,1260 1.535,1261 1.077,1262 1.026,1263 1.287,1264 1.247,1265 0.357,1266 1.253,1267 0.92,1268 0.86,1269 1.178,1270 1.219,1271 0.139,1272 1.234,1273 0.798,1274 0.687,1275 1.055,1276 1.083,1277 0.082,1278 1.08,1279 4.007,1281 5.352,1282 2.398,1283 6.905,1284 4.844,1285 8.555,1286 7.05,1287 10.257,1289 3.833,1293 6.053,1295 0.656,1297 5.557,1305 26.983,1306 63.504,1307 151.743,1308 186.64,1309 204.15,1310 206.15,1311 206.15,1312 28.056,1313 7.621,1314 78.85,1315 78.85,1316 23,1317 12.66,1318 4.459,1319 3.524,1320 33.911,1321 81,1322 100,1323 0.211,1324 165.48,1325 266.95,1326 395.532,1327 20242,1329 16.681,1330 0.695,1331 0.563,1332 16.681,1333 13.523,1334 11.669,1335 0.432,1336 0.288,1337 7.654,1338 11.184,1339 7.433,1340 6.185,1341 11.669,1342 7.773,1343 10.587,1344 0.271,1345 0.143,1346 10.587,1347 5.586,1348 9.282,1349 0.169,1350 0.074,1351 9.282,1352 4.046,1353 8.236,1354 0.107,1355 0.038,1356 8.236,1357 2.939,1358 6.986,1359 0.069,1360 0.02,1361 6.986,1362 2.04,1363 0.325,1364 73.187,1365 0.234,1366 23.128,1367 0.595,1368 132,1369 369.628,1370 144.313,1371 362.359,1372 514.9,1373 342,1374 160,1375 402.043,1376 172.954,1377 407.406,1378 600.21,1379 384,1380 4}
{0 CHEMBL1242662,1 1.549,2 8.75,3 3.067,4 9.407,5 94.707,6 7.79,7 0.778,8 3.841,9 3.964,10 3.45,11 3.395,12 5.023,13 3.389,14 4.325,15 4.492,16 3.847,17 3.794,18 5.458,19 3.776,20 4.556,21 4.743,22 3.921,23 3.927,24 5.672,25 3.892,26 4.649,27 4.872,28 3.881,29 3.928,30 5.747,31 3.867,32 4.567,33 4.785,34 3.722,35 3.851,36 5.611,37 3.779,38 4.48,39 4.681,40 3.644,41 3.778,42 5.579,43 3.702,44 4.548,45 4.813,46 3.426,47 3.702,48 5.519,49 3.578,50 4.388,51 4.681,52 3.226,53 3.483,54 5.301,55 3.34,56 0.072,57 0.653,58 7.81,59 3.369,60 11.554,61 4.28,62 0.142,63 1.037,64 13.919,65 5.658,66 18.099,67 7.562,68 0.199,69 1.252,70 18.601,71 6.751,72 25.165,73 9.113,74 0.321,75 1.336,76 21.88,77 7.643,78 37.279,79 10.653,80 0.224,81 1.212,82 19.884,83 6.805,84 29.878,85 9.448,86 0.168,87 1.124,88 17.544,89 6.352,90 29.713,91 8.711,92 0.251,93 1.126,94 21.304,95 6.877,96 38.43,97 10.063,98 0.22,99 0.884,100 19.559,101 6.755,102 31.464,103 10.062,104 18,105 40,106 0.269,107 0.652,108 0.764,109 0.838,110 0.846,111 0.846,112 3.23,113 0.862,114 -4.95,115 -4.86,116 -4.56,119 43.9,120 2,127 1,142 6,143 4,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 7,177 1,178 1,180 3,183 14,185 1,186 1,187 5,192 2,195 12,198 2,199 8,201 3,202 3,204 3,207 8,209 1,212 8,217 4,220 5,222 2,224 10,229 5,232 6,234 4,237 6,242 2,245 4,247 2,250 4,253 1,255 3,258 4,260 2,266 1,271 4,275 758,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 13.687,282 11.643,283 9.195,284 16.387,285 13.321,286 13.321,287 13.321,288 13.321,289 13.321,290 9.634,291 8.663,292 4.348,293 13.819,294 3.809,295 1.599,296 0.952,297 0.525,298 0.476,299 0.476,300 3.925,303 1,304 1,305 1,306 460,307 2.739,310 43.524,311 159.84,314 83.676,315 88.462,318 1.375,319 20.127,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 210,332 4.762,333 3.376,334 7.039,335 4.304,336 3.339,337 4.737,339 12.088,340 3.224,341 4.426,342 2.983,343 6.262,344 3.939,345 2.948,346 4.36,348 9.449,349 2.919,350 3.877,351 2.686,352 6.082,353 3.531,354 2.57,355 3.353,357 8.608,358 2.467,359 3.767,360 2.513,361 5.719,362 3.367,363 2.407,364 3.19,366 7.488,367 2.307,368 3.475,369 2.255,370 4.962,371 3.035,372 2.08,373 2.849,375 5.803,376 1.978,377 3.118,378 1.82,379 4.819,380 2.683,381 1.742,382 2.427,384 4.818,385 1.636,386 3.03,387 1.618,388 4.495,389 2.618,390 1.618,391 2.249,393 4.416,394 1.618,395 2.981,396 1.508,397 4.377,398 2.445,399 1.501,400 2.127,402 4.065,403 1.413,404 2.532,405 1.067,406 3.861,407 2.012,408 1.064,409 1.546,411 2.761,412 1.006,413 2.214,414 0.856,415 3.492,416 1.799,417 0.827,418 1.097,420 2.067,421 0.802,422 2.11,423 0.729,424 3.274,425 1.679,426 0.694,427 0.985,428 1.685,429 0.683,430 1.272,431 0.12,432 2.724,433 0.848,434 -0.108,435 -0.141,436 -0.26,437 -0.102,438 1.056,439 -0.162,440 2.432,441 0.61,442 -0.302,443 -0.389,445 -0.705,446 -0.275,447 0.882,448 -0.599,449 2.384,450 0.382,451 -0.618,452 -0.927,454 -1.82,455 -0.618,456 0.69,457 -0.618,458 2.27,459 0.23,460 -0.715,461 -0.945,463 -2,464 -0.671,465 11.333,466 0.472,467 0.716,468 0.03,469 34.75,470 1.448,471 19,472 0.792,473 15.75,474 0.656,475 17.393,476 0.725,477 24.667,478 0.602,479 24.614,480 1.026,481 6.664,482 0.278,483 4.878,484 0.203,485 0.153,487 0.432,493 0.938,494 1.122,495 0.769,496 0.916,497 1.083,498 0.836,499 0.672,500 1.027,501 0.677,502 0.89,503 0.526,504 0.799,505 1.082,506 1.139,507 0.928,508 0.968,509 0.897,510 0.929,511 0.848,512 0.927,513 0.937,514 0.941,515 0.792,516 0.946,517 1.129,518 1.069,519 1.131,520 1.033,521 0.86,522 1.061,523 1.094,524 1.297,525 1.203,526 1.235,527 1.067,528 1.232,529 0.958,530 0.974,531 1.163,532 1.02,533 0.956,534 1.087,535 0.543,536 0.868,537 0.788,538 0.905,539 0.51,540 0.886,541 5,542 0.083,543 3.111,544 2.104,545 2.14,546 0.827,547 0.564,548 0.436,549 0.215,550 0.178,551 5894,552 15677,553 2.11,554 41.5,556 7,558 1,559 3,561 6,564 1.673,565 1.946,566 3.102,567 0.998,568 1,569 1,571 1,573 63.504,574 1.549,575 3.758,576 4.406,577 4.833,578 4.882,579 4.882,580 2.555,581 4.418,582 4.557,583 3.236,584 893.149,585 7.888,586 9993.54,587 1,588 1,590 1,591 219.66,592 1.483,593 4.504,594 0.185,595 0.012,596 0.078,597 0.05,598 0.055,599 0.025,600 0.019,601 0.019,602 0.011,603 0.014,604 0.468,605 0.33,606 1,607 0.813,608 111.361,609 -0.054,610 0.022,611 0.031,612 0.065,613 -0.208,614 0.058,615 0.131,616 0.069,617 0.181,618 0.09,619 0.135,620 0.131,621 -0.116,622 -0.074,623 -0.024,624 -0.01,625 -0.054,626 -0.005,627 0.074,628 0.104,629 0.017,630 0.009,631 0.031,632 0.002,633 -0.211,634 -0.037,635 -0.191,636 -0.082,637 -0.07,638 -0.118,639 -0.198,640 -0.263,641 -0.288,642 -0.276,643 -0.158,644 -0.294,645 -0.16,646 -0.006,647 -0.162,648 -0.064,649 -0.182,650 -0.097,651 0.195,652 -0.021,653 0.272,654 0.115,655 0.228,656 0.191,657 1.414,658 3.61,659 0.792,660 17.667,661 1.003,662 1.127,663 3.724,664 13.866,665 0.684,666 3.332,667 3.714,668 4.043,669 4.382,670 4.673,671 4.796,672 4.92,673 5.088,674 5.182,675 5.231,676 5.231,677 0.658,678 319.4,679 3.332,680 4.905,681 5.79,682 6.706,683 7.613,684 8.534,685 9.45,686 10.374,687 11.294,688 12.218,689 12.2,693 1,697 1,699 3,703 4,704 7,705 3,709 4,710 1,711 21,722 1,728 1,731 41,733 21,734 2,735 27,737 44,738 18,739 15,740 4,741 6,746 4,747 6,752 2,758 1,761 15,762 3,777 1,778 1,781 17,782 5,783 3,784 6,790 5,794 0.5,795 1,803 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 24,849 1,853 1,858 1,870 2.4,872 1,877 12.333,878 8,879 5.111,880 2.441,881 4.314,882 1.569,883 1.006,884 3.394,885 11.9,886 3.651,887 4.379,888 5.096,889 5.803,890 6.437,891 6.868,892 7.36,893 7.894,894 8.326,895 8.691,896 0.833,897 42,898 8.815,900 3.82,901 7.736,902 16.774,904 14.037,905 2.236,906 53.667,909 1,910 164.795,911 100.831,912 84.908,914 42.683,917 100.831,918 207.479,919 84.908,920 17.65,922 89.755,923 106.404,924 24.056,925 2.328,926 153.024,928 164.795,929 185.739,930 42.683,933 94.169,934 113.31,937 32.518,938 102.987,939 50.234,941 164.795,942 127.591,943 100.831,946 164.795,947 17.704,948 84.903,950 125.815,951 164.795,952 127.591,953 100.831,955 0.597,956 0.355,957 0.202,958 0.12,959 22,960 10,961 0.045,962 2,963 2,964 1.211,965 3.496,966 211.577,967 0.211,968 19,969 108.039,974 14.912,975 5.462,976 2.414,977 3.492,978 125.815,979 12.732,980 13.209,984 2.39,985 1.865,986 75.581,987 393.218,988 37.5,999 41.138,1000 46.192,1001 0.289,1002 0.702,1003 0.822,1004 0.902,1005 0.911,1006 0.911,1007 4.9,1008 1.501,1009 5.808,1010 4.416,1011 4.394,1012 5.066,1014 6.688,1015 4.327,1016 6.161,1017 1.064,1018 7.41,1019 4.065,1020 4.111,1021 5.047,1023 7.716,1024 4.011,1025 7.507,1026 0.827,1027 9.112,1028 2.761,1029 6.052,1030 7.441,1032 10.864,1033 5.927,1034 8.893,1035 0.694,1036 10.872,1037 2.067,1038 6.567,1039 8.254,1041 12.736,1042 6.411,1043 10.311,1044 -0.108,1045 12.67,1046 1.685,1047 8.019,1048 10.133,1050 15.421,1051 7.841,1052 11.754,1053 -0.302,1054 14.494,1055 -0.26,1056 8.899,1057 11.339,1059 17.648,1060 8.688,1061 13.217,1062 -0.618,1063 16.338,1064 -0.705,1065 10.169,1066 13.009,1068 20.186,1069 9.933,1070 3.339,1071 -0.715,1072 18.199,1073 -1.82,1074 11.216,1075 14.399,1077 22.563,1078 10.947,1079 2.948,1080 12.088,1081 20.072,1082 -2,1083 12.422,1084 15.985,1086 25.057,1087 12.124,1088 2.57,1089 9.449,1090 21.955,1091 4.737,1092 13.545,1093 17.457,1095 27.497,1096 13.212,1097 2.407,1098 8.608,1099 23.847,1100 4.36,1101 14.732,1102 19.011,1104 29.982,1105 14.368,1106 2.08,1107 7.488,1108 25.747,1109 3.353,1110 15.891,1111 20.52,1113 32.449,1114 15.491,1115 1.742,1116 5.803,1117 27.653,1118 3.19,1119 17.075,1120 22.063,1122 34.934,1123 16.641,1124 1.618,1125 4.818,1126 29.565,1127 2.849,1128 18.251,1129 23.588,1131 37.413,1132 17.781,1133 5640,1134 9317,1135 17.918,1136 28.051,1137 42.027,1138 41.585,1139 43.581,1140 41.641,1141 41.583,1142 57.839,1144 126.496,1145 40.108,1146 5.431,1147 5.376,1148 6.567,1149 5.376,1150 5.339,1151 7.737,1153 19.555,1154 5.224,1155 12.207,1156 1.557,1157 1.54,1158 1.614,1159 1.542,1160 1.54,1161 2.142,1163 4.685,1164 1.485,1165 4.163,1166 4.201,1167 4.14,1168 4.08,1169 6.471,1170 4.086,1171 4.004,1172 4.036,1173 3.97,1174 3.879,1175 5.256,1176 3.903,1177 3.579,1178 3.656,1179 3.445,1180 3.425,1181 4.899,1182 3.416,1183 3.483,1184 3.517,1185 3.417,1186 3.362,1187 4.786,1188 3.368,1189 3.161,1190 3.247,1191 3.059,1192 2.987,1193 4.501,1194 2.989,1195 3.045,1196 3.115,1197 2.931,1198 2.872,1199 4.182,1200 2.893,1201 2.985,1202 3.07,1203 2.869,1204 2.681,1205 4.032,1206 2.719,1207 2.874,1208 3.009,1209 2.598,1210 2.618,1211 3.795,1212 2.57,1213 0.176,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.762,1219 0.175,1220 3.376,1222 7.039,1223 0.448,1224 4.304,1225 0.119,1226 3.339,1227 4.737,1229 12.088,1230 3.224,1231 2.076,1232 2.061,1233 2.148,1234 2.131,1235 1.294,1236 2.137,1237 1.829,1238 1.787,1239 1.949,1240 2.021,1241 1.146,1242 1.993,1243 1.654,1244 1.594,1245 1.813,1246 1.848,1247 0.918,1248 1.846,1249 1.458,1250 1.417,1251 1.607,1252 1.609,1253 0.645,1254 1.612,1255 1.117,1256 1.062,1257 1.417,1258 1.368,1259 0.469,1260 1.346,1261 1.006,1262 0.948,1263 1.301,1264 1.239,1265 0.365,1266 1.308,1267 0.934,1268 0.804,1269 1.211,1270 1.224,1271 0.158,1272 1.241,1273 0.831,1274 0.752,1275 1.059,1276 1.163,1277 0.032,1278 1.143,1279 4.007,1281 5.371,1282 2.398,1283 6.934,1284 4.844,1285 8.592,1286 7.081,1287 10.3,1289 4.107,1293 6.103,1294 9.61,1299 0.16,1305 26.983,1306 63.504,1307 154.092,1308 180.64,1309 198.15,1310 200.15,1311 200.15,1312 33.003,1313 7.586,1314 89.85,1315 89.85,1316 23,1317 12.725,1318 4.459,1319 3.524,1320 33.701,1321 74,1322 84,1323 0.227,1324 165.48,1325 266.95,1326 395.532,1327 18888,1329 16.845,1330 0.702,1331 0.56,1332 16.845,1333 13.432,1334 11.542,1335 0.427,1336 0.287,1337 7.668,1338 11.146,1339 7.43,1340 6.198,1341 11.542,1342 7.762,1343 10.968,1344 0.274,1345 0.152,1346 10.968,1347 6.091,1348 9.315,1349 0.166,1350 0.073,1351 9.315,1352 4.105,1353 8.19,1354 0.104,1355 0.037,1356 8.19,1357 2.938,1358 7.068,1359 0.067,1360 0.02,1361 7.068,1362 2.098,1363 0.343,1364 71.97,1365 0.236,1366 22.807,1367 0.664,1368 134,1369 360.042,1370 145.54,1371 359.36,1372 508,1373 336,1374 163,1375 398.323,1376 175.291,1377 405.408,1378 597.44,1379 382,1380 5.886}
{0 CHEMBL1242663,1 1.603,2 8,3 3.486,4 12.152,5 96.35,6 8.688,7 0.778,8 3.799,9 3.923,10 3.505,11 3.378,12 4.971,13 3.37,14 4.295,15 4.463,16 3.929,17 3.768,18 5.439,19 3.752,20 4.498,21 4.688,22 4.036,23 3.9,24 5.619,25 3.87,26 4.581,27 4.793,28 4.062,29 3.91,30 5.745,31 3.86,32 4.492,33 4.686,34 3.987,35 3.864,36 5.594,37 3.798,38 4.426,39 4.601,40 3.977,41 3.795,42 5.675,43 3.728,44 4.502,45 4.742,46 3.667,47 3.714,48 5.581,49 3.598,50 4.336,51 4.612,52 3.174,53 3.458,54 5.284,55 3.305,56 0.068,57 0.643,58 6.052,59 2.964,60 8.377,61 3.692,62 0.204,63 1.01,64 12.763,65 5.083,66 19.777,67 6.628,68 0.215,69 1.194,70 16.706,71 6.106,72 19.879,73 7.895,74 0.418,75 1.238,76 21.502,77 6.824,78 39.067,79 8.896,80 0.299,81 1.104,82 19.212,83 6.225,84 25.018,85 7.847,86 0.332,87 1.026,88 18.881,89 6.011,90 38.605,91 7.623,92 0.343,93 1.026,94 24.506,95 6.761,96 42.149,97 8.739,98 0.36,99 0.803,100 26.402,101 6.474,102 38.729,103 8.651,104 18,105 40,106 0.281,107 0.667,108 0.776,109 0.828,110 0.837,111 0.837,112 3.23,113 0.887,114 -4.95,115 -4.86,116 -4.56,119 43.6,120 2,127 1,142 5,143 3,146 2,147 2,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 11,177 1,178 1,180 1,183 9,185 1,186 1,187 7,195 7,198 3,199 9,201 3,202 3,204 1,207 9,209 1,211 1,212 5,217 1,220 6,222 1,223 2,224 9,226 1,227 1,229 4,232 5,234 4,237 7,242 1,245 5,247 1,250 5,255 2,258 2,260 2,263 2,268 1,271 4,273 1,275 750,276 16.137,277 16.137,278 16.137,279 16.137,280 16.137,281 13.711,282 11.088,283 9.275,284 16.576,285 13.322,286 13.322,287 13.322,288 13.322,289 13.322,290 9.619,291 8.141,292 4.372,293 14.083,294 3.682,295 1.475,296 0.849,297 0.552,298 0.5,299 0.5,300 3.925,302 1,303 1,304 1,305 1,306 420,307 2.739,310 41.908,311 158.105,314 80.891,315 88.462,318 1.167,319 20.263,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.333,331 192,332 4.778,333 3.426,334 7.068,335 4.321,336 3.359,337 4.749,339 12.194,340 3.228,341 4.451,342 3.14,343 6.423,344 3.947,345 2.989,346 4.377,348 9.893,349 2.869,350 3.933,351 2.683,352 6.08,353 3.536,354 2.577,355 3.462,357 8.666,358 2.46,359 3.783,360 2.617,361 5.859,362 3.392,363 2.445,364 3.195,366 7.795,367 2.305,368 3.316,369 2.162,370 5.014,371 2.786,372 1.898,373 2.664,375 5.494,376 1.658,377 3.094,378 1.815,379 4.813,380 2.68,381 1.74,382 2.389,384 4.818,385 1.626,386 3.018,387 1.596,388 4.548,389 2.56,390 1.595,391 2.141,393 4.524,394 1.532,395 2.899,396 1.434,397 3.92,398 2.389,399 1.406,400 2.093,402 3.006,403 1.367,404 2.629,405 1.258,406 3.672,407 2.095,408 1.177,409 1.685,411 2.902,412 1.059,413 2.287,414 0.952,415 3.618,416 1.871,417 0.908,418 1.209,420 2.359,421 0.86,422 2.092,423 0.756,424 3.431,425 1.653,426 0.695,427 0.958,428 1.799,429 0.658,430 1.25,431 0.287,432 2.735,433 0.762,434 -0.113,435 -0.147,436 -0.273,437 -0.083,438 1.06,439 -0.153,440 2.619,441 0.603,442 -0.3,443 -0.387,445 -0.702,446 -0.267,447 0.994,448 -0.441,449 2.426,450 0.485,451 -0.47,452 -0.674,454 -1.304,455 -0.441,456 0.644,457 -0.773,458 2.256,459 0.13,460 -0.811,461 -1,463 -2,464 -0.758,465 11.614,466 0.484,467 0.699,468 0.029,469 34.75,470 1.448,471 18.5,472 0.771,473 16.25,474 0.677,475 18.485,476 0.77,477 24.386,478 0.625,479 24.114,480 1.005,481 6.598,482 0.275,483 4.961,484 0.207,485 0.182,487 0.422,493 0.775,494 1.224,495 0.578,496 0.879,497 0.958,498 0.809,499 0.65,500 1.074,501 0.553,502 0.824,503 0.546,504 0.747,505 1.041,506 1.187,507 0.713,508 0.836,509 0.788,510 0.809,511 0.989,512 0.855,513 0.906,514 0.821,515 0.962,516 0.842,517 1.267,518 1.058,519 1.121,520 0.979,521 1.145,522 1.005,523 0.97,524 1.207,525 1.246,526 1.294,527 1.055,528 1.21,529 1.522,530 1.012,531 1.449,532 1.099,533 1.608,534 1.133,535 1.488,536 0.724,537 1.66,538 1.065,539 1.377,540 1.041,541 4.5,542 0.025,543 3.111,544 2.229,545 2.14,546 1.129,547 0.629,548 0.408,549 0.179,550 0.082,551 5654,552 15897,553 2.11,554 38.5,556 6,558 1,559 2,561 6,564 1.677,565 1.946,566 3.002,567 0.337,569 1,571 1,573 62.531,574 1.603,575 3.81,576 4.436,577 4.734,578 4.785,579 4.785,580 2.44,581 4.335,582 4.559,583 3.12,584 861.056,585 7.908,586 9607.81,587 1,588 1,589 1,590 1,591 206.131,592 1.483,593 4.504,594 0.167,595 0.008,596 0.078,597 0.052,598 0.052,599 0.031,600 0.018,601 0.016,602 0.011,603 0.008,604 0.442,605 0.33,606 1,607 0.813,608 110.382,609 -0.015,610 -0.077,611 0.022,612 -0.003,613 -0.189,614 0.021,615 0.207,616 0.014,617 0.164,618 0.079,619 0.197,620 0.136,621 -0.094,622 -0.123,623 0.085,624 0.072,625 0.026,626 0.086,627 0.117,628 0.183,629 0.065,630 0.109,631 0.094,632 0.074,633 -0.159,634 -0.027,635 -0.069,636 -0.028,637 -0.15,638 -0.092,639 0.181,640 -0.183,641 -0.094,642 -0.326,643 0.175,644 -0.3,645 -0.341,646 -0.069,647 -0.243,648 -0.101,649 -0.333,650 -0.148,651 -0.314,652 0.122,653 -0.292,654 0.01,655 -0.205,656 0.042,657 1.286,658 2.326,659 0.792,660 16.563,661 1.009,662 1.128,663 3.724,664 13.866,665 0.71,666 3.332,667 3.714,668 4.06,669 4.407,670 4.7,671 4.844,672 4.963,673 5.1,674 5.17,675 5.176,676 4.955,677 0.682,678 338.83,679 3.332,680 4.905,681 5.796,682 6.715,683 7.63,684 8.557,685 9.479,686 10.409,687 11.335,688 12.266,689 15.4,693 1,697 1,699 4,703 4,704 6,705 4,709 4,710 1,711 21,722 1,730 1,731 39,733 21,734 1,735 27,737 42,738 17,739 14,740 2,741 4,746 4,747 6,748 1,752 2,758 1,761 14,762 3,777 1,778 1,781 15,782 5,783 2,784 7,785 1,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,845 1,848 24,849 1,858 1,869 1,877 12.333,878 7.81,879 5.139,880 2.367,881 4.354,882 1.576,883 1.029,884 3.539,885 11.918,886 3.651,887 4.379,888 5.105,889 5.816,890 6.454,891 6.895,892 7.382,893 7.898,894 8.316,895 8.651,896 1,897 43,898 8.806,900 3.808,901 7.699,902 16.729,904 13.906,905 2.199,906 52.778,910 153.024,911 93.998,912 101.693,913 39.149,917 93.998,918 192.173,919 101.693,920 17.65,922 80.278,923 80.506,924 23.628,925 44.548,926 141.253,928 153.024,929 195.691,931 39.149,933 82.398,934 70.627,937 34.662,938 94.01,939 67.02,940 39.149,941 153.024,942 101.693,943 133.146,946 153.024,947 20.347,948 75.427,950 139.065,951 153.024,952 101.693,953 133.146,955 0.595,956 0.361,957 0.208,958 0.122,959 22,960 10,961 0.048,962 2,963 2,964 1.211,965 3.454,966 214.448,967 0.211,968 19,969 108.039,974 15.156,975 5.603,976 2.4,977 3.213,978 99.917,979 11.229,980 17.63,984 2.139,985 1.828,986 32.897,987 387.864,988 37.5,999 39.353,1000 44.01,1001 0.303,1002 0.721,1003 0.839,1004 0.896,1005 0.905,1006 0.905,1007 4.9,1008 1.406,1009 5.814,1010 4.524,1011 4.394,1012 5.066,1014 6.708,1015 4.291,1016 6.161,1017 1.177,1018 7.425,1019 3.006,1020 4.111,1021 5.047,1023 7.763,1024 3.95,1025 7.509,1026 0.908,1027 9.138,1028 2.902,1029 6.061,1030 7.446,1032 10.928,1033 5.877,1034 8.899,1035 0.695,1036 10.91,1037 2.359,1038 6.594,1039 8.272,1041 12.82,1042 6.361,1043 10.323,1044 -0.113,1045 12.72,1046 1.799,1047 8.05,1048 10.15,1050 15.516,1051 7.792,1052 11.772,1053 -0.3,1054 14.556,1055 -0.273,1056 8.949,1057 11.366,1059 17.752,1060 8.646,1061 13.241,1062 -0.47,1063 16.41,1064 -0.702,1065 10.223,1066 13.036,1068 20.298,1069 9.89,1070 3.359,1071 -0.811,1072 18.28,1073 -1.304,1074 11.284,1075 14.432,1077 22.68,1078 10.909,1079 2.989,1080 12.194,1081 20.161,1082 -2,1083 12.495,1084 16.018,1086 25.18,1087 12.086,1088 2.577,1089 9.893,1090 22.051,1091 4.749,1092 13.628,1093 17.494,1095 27.625,1096 13.179,1097 2.445,1098 8.666,1099 23.949,1100 4.377,1101 14.82,1102 19.049,1104 30.115,1105 14.335,1106 1.898,1107 7.795,1108 25.853,1109 3.462,1110 15.986,1111 20.561,1113 32.587,1114 15.461,1115 1.74,1116 5.494,1117 27.764,1118 3.195,1119 17.176,1120 22.106,1122 35.077,1123 16.613,1124 1.595,1125 4.818,1126 29.679,1127 2.664,1128 18.358,1129 23.634,1131 37.563,1132 17.756,1133 5417,1134 9238,1135 17.918,1136 27.699,1137 42.001,1138 42.155,1139 43.705,1140 41.762,1141 41.578,1142 57.844,1144 126.899,1145 39.246,1146 5.455,1147 5.426,1148 6.752,1149 5.394,1150 5.359,1151 7.749,1153 19.776,1154 5.228,1155 11.84,1156 1.556,1157 1.561,1158 1.619,1159 1.547,1160 1.54,1161 2.142,1163 4.7,1164 1.454,1165 4.156,1166 4.197,1167 4.173,1168 4.05,1169 5.263,1170 4.063,1171 3.992,1172 4.029,1173 3.988,1174 3.869,1175 5.07,1176 3.89,1177 3.579,1178 3.656,1179 3.646,1180 3.426,1181 4.845,1182 3.414,1183 3.464,1184 3.502,1185 3.445,1186 3.356,1187 4.633,1188 3.36,1189 3.139,1190 3.231,1191 3.17,1192 2.896,1193 4.498,1194 2.924,1195 3.002,1196 3.097,1197 2.972,1198 2.864,1199 4.108,1200 2.863,1201 2.972,1202 3.042,1203 2.863,1204 2.68,1205 3.99,1206 2.717,1207 2.874,1208 3.009,1209 2.808,1210 2.618,1211 3.892,1212 2.57,1213 0.177,1214 0.127,1215 0.262,1216 0.16,1217 0.124,1218 4.778,1219 0.176,1220 3.426,1222 7.068,1223 0.452,1224 4.321,1225 0.12,1226 3.359,1227 4.749,1229 12.194,1230 3.228,1231 2.04,1232 2.019,1233 2.104,1234 2.116,1235 1.226,1236 2.115,1237 1.829,1238 1.787,1239 1.949,1240 2.02,1241 1.145,1242 1.993,1243 1.655,1244 1.594,1245 1.815,1246 1.848,1247 0.922,1248 1.846,1249 1.437,1250 1.394,1251 1.556,1252 1.576,1253 0.615,1254 1.584,1255 1.04,1256 0.967,1257 1.417,1258 1.349,1259 0.469,1260 1.325,1261 0.976,1262 0.923,1263 1.218,1264 1.239,1265 0.233,1266 1.308,1267 0.934,1268 0.804,1269 1.187,1270 1.174,1271 0.171,1272 1.171,1273 0.826,1274 0.746,1275 1.057,1276 1.133,1277 0.033,1278 1.135,1279 4.007,1281 5.371,1282 2.398,1283 6.94,1284 4.844,1285 8.607,1286 7.081,1287 10.325,1289 4.073,1290 6.437,1293 6.103,1299 0.128,1305 26.59,1306 62.531,1307 148.605,1308 173.011,1309 184.621,1310 186.621,1311 186.621,1312 32.35,1313 7.564,1314 82.51,1315 82.51,1316 23,1317 12.768,1318 4.459,1319 3.524,1320 33.559,1321 70,1322 70,1323 0.239,1324 167.019,1325 267.07,1326 399.286,1327 18306,1328 2.6,1329 16.845,1330 0.702,1331 0.583,1332 17.345,1333 13.989,1334 11.559,1335 0.428,1336 0.296,1337 7.54,1338 10.894,1339 7.277,1340 6.061,1341 11.847,1342 7.981,1343 10.874,1344 0.272,1345 0.156,1346 11.245,1347 6.222,1348 9.39,1349 0.165,1350 0.074,1351 9.722,1352 4.228,1353 8.33,1354 0.103,1355 0.038,1356 8.673,1357 3.038,1358 7.12,1359 0.065,1360 0.02,1361 7.466,1362 2.167,1363 0.356,1364 75.078,1365 0.236,1366 22.603,1367 0.719,1368 134,1369 373.741,1370 161.659,1371 402.296,1372 559.74,1373 376,1374 164,1375 415.973,1376 188.505,1377 432.142,1378 641.66,1379 407,1380 4.824}
{0 CHEMBL1242664,1 1.449,2 7.958,3 3.395,4 11.529,5 94.896,6 7.581,7 0.714,8 3.878,9 4.014,10 3.484,11 3.436,12 4.949,13 3.424,14 4.422,15 4.595,16 3.88,17 3.879,18 5.426,19 3.843,20 4.672,21 4.908,22 3.871,23 3.944,24 5.594,25 3.874,26 4.647,27 4.893,28 3.873,29 3.891,30 5.654,31 3.835,32 4.551,33 4.773,34 3.764,35 3.855,36 5.526,37 3.794,38 4.516,39 4.719,40 3.748,41 3.85,42 5.531,43 3.783,44 4.605,45 4.849,46 3.611,47 3.82,48 5.554,49 3.708,50 4.553,51 4.85,52 3.233,53 3.615,54 5.38,55 3.45,56 0.059,57 0.712,58 8.477,59 3.399,60 8.889,61 4.632,62 0.139,63 1.169,64 15.809,65 6.19,66 15.994,67 8.619,68 0.179,69 1.367,70 22.874,71 7.793,72 22.112,73 11.468,74 0.33,75 1.345,76 22.854,77 7.118,78 33.806,79 10.538,80 0.233,81 1.243,82 19.781,83 6.203,84 25.931,85 9.045,86 0.173,87 1.219,88 18.36,89 6.249,90 23.744,91 8.964,92 0.253,93 1.239,94 21.645,95 7.343,96 31.022,97 10.721,98 0.232,99 1.06,100 22.635,101 7.145,102 32.473,103 10.853,104 2,105 41,106 0.249,107 0.646,108 0.773,109 0.838,110 0.838,111 0.838,112 3.231,113 0.897,114 -4.76,115 -4.67,116 -4.39,119 42.9,121 4,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 7,177 1,178 1,180 4,183 9,185 1,186 1,187 7,192 2,195 6,198 2,199 9,201 3,202 3,204 2,207 4,209 1,212 8,215 1,217 3,220 5,222 2,224 6,227 1,229 3,232 7,234 3,237 5,240 2,241 1,242 3,244 1,245 6,247 3,250 2,255 3,258 4,260 1,268 2,271 4,275 760,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.548,282 9.487,283 9.779,284 17.099,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.422,291 7.5,292 4.637,293 14.363,294 3.944,295 1.638,296 0.905,297 0.524,298 0.524,299 0.524,300 3.945,303 1,304 1,305 1,306 437,307 2.121,310 139.283,311 102.98,314 160.199,318 1.135,319 15.921,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 191,332 4.766,333 3.389,334 7.051,335 4.312,336 3.349,337 4.738,339 12.147,340 3.229,341 4.415,342 2.95,343 6.293,344 3.916,345 2.936,346 4.353,348 9.503,349 2.874,350 3.904,351 2.766,352 6.145,353 3.646,354 2.677,355 3.312,357 8.961,358 2.592,359 3.761,360 2.405,361 5.751,362 3.348,363 2.38,364 3.198,366 7.634,367 2.303,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.366,375 5.69,376 1.899,377 3.051,378 1.552,379 4.519,380 2.509,381 1.552,382 2.322,384 4.384,385 1.494,386 3.033,387 1.533,388 4.333,389 2.495,390 1.533,391 2.3,393 4.052,394 1.46,395 2.654,396 1.41,397 4.234,398 2.309,399 1.345,400 1.72,402 3.529,403 1.292,404 2.601,405 1.154,406 3.672,407 2.103,408 1.151,409 1.636,411 2.661,412 1.093,413 2.411,414 0.973,415 3.431,416 1.921,417 0.966,418 1.376,420 2.308,421 0.92,422 1.911,423 0.702,424 3.248,425 1.662,426 0.683,427 0.792,428 1.74,429 0.667,430 1.837,431 0.618,432 3.036,433 1.618,434 0.618,435 0.618,436 1.372,437 0.618,438 1.618,439 0.4,440 3,441 1.365,442 0.395,443 0.584,445 0.983,446 0.383,447 1.061,448 -0.153,449 2.652,450 0.63,451 -0.286,452 -0.364,454 -0.672,455 -0.261,456 0.846,457 -0.589,458 2.461,459 0.383,460 -0.59,461 -0.817,463 -1.644,464 -0.572,465 11.4,466 0.475,467 0.534,468 0.022,469 33,470 1.375,471 16.5,472 0.688,473 16.5,474 0.688,475 18.427,476 0.768,477 24.6,478 0.586,479 21.577,480 0.899,481 6.011,482 0.25,483 5.798,484 0.242,485 0.035,487 0.386,493 0.935,494 1.187,495 0.764,496 0.941,497 0.977,498 0.849,499 0.772,500 1.136,501 0.823,502 1.027,503 0.579,504 0.949,505 0.968,506 1.17,507 0.887,508 1.019,509 0.696,510 0.956,511 1.053,512 0.896,513 0.865,514 0.806,515 0.954,516 0.809,517 1.418,518 1.024,519 1.115,520 0.937,521 1.202,522 0.976,523 1.267,524 1.218,525 1.174,526 1.162,527 1.448,528 1.156,529 1.038,530 1.051,531 1.18,532 1.162,533 1.422,534 1.185,535 1.113,536 0.928,537 1.118,538 1.009,539 1.223,540 1.054,541 3.5,543 2.889,544 1.764,545 1.522,546 0.716,547 0.469,548 0.348,549 0.148,550 0.047,551 6351,552 14071,553 2.262,554 42.9,555 4,556 5,557 1,558 1,559 3,561 4,564 1.676,565 2.182,566 3.02,567 0.998,568 1,569 1,571 1,573 60.85,574 1.449,575 3.754,576 4.488,577 4.869,578 4.869,579 4.869,580 2.44,581 4.22,582 4.558,583 3.145,584 868.043,585 7.902,586 9735.16,587 1,588 1,590 1,591 226.477,592 1.175,593 4.543,594 0.125,596 0.07,597 0.045,598 0.039,599 0.02,600 0.014,601 0.012,602 0.008,603 0.005,604 0.339,605 0.33,606 0.88,607 0.382,608 110.695,609 0.003,610 -0.012,611 0.064,612 0.044,613 -0.043,614 0.059,615 0.144,616 -0.036,617 0.052,618 -0.037,619 0.181,620 -0.011,621 0.012,622 -0.177,623 0.077,624 -0.045,625 0.143,626 0.013,627 0.131,628 0.128,629 0.127,630 0.126,631 0.137,632 0.126,633 -0.256,634 0.043,635 -0.165,636 -0.006,637 -0.173,638 -0.061,639 -0.2,640 -0.144,641 -0.256,642 -0.213,643 -0.251,644 -0.237,645 -0.025,646 -0.064,647 -0.209,648 -0.2,649 -0.204,650 -0.225,651 -0.139,652 -0.047,653 -0.076,654 -0.033,655 -0.1,656 -0.044,657 1.175,658 2.187,659 0.958,660 17.167,661 0.998,662 1.131,663 3.531,664 12.47,665 0.681,666 3.367,667 3.738,668 4.111,669 4.466,670 4.682,671 4.883,672 5.081,673 5.268,674 5.328,675 5.384,676 5.036,677 0.65,678 318.42,679 3.367,680 4.934,681 5.832,682 6.746,683 7.662,684 8.584,685 9.507,686 10.433,687 11.359,688 12.288,689 14.3,693 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,722 1,731 42,733 20,734 1,735 28,737 46,738 18,739 13,740 3,741 3,746 5,747 7,755 5,758 5,761 13,762 5,777 1,778 1,781 18,782 4,783 3,784 6,790 6,794 0.6,803 1,806 1,807 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,877 11,878 7.467,879 5.111,880 2.704,881 3.983,882 1.515,883 1.084,884 3.101,885 11.719,886 3.664,887 4.363,888 5.091,889 5.796,890 6.355,891 6.837,892 7.362,893 7.89,894 8.22,895 8.651,896 1,897 39,898 8.86,900 3.921,901 7.521,902 17.368,904 15.204,905 2.021,906 48.5,909 1,910 176.567,911 82.985,912 101.693,917 82.985,918 176.567,919 101.693,921 10.138,922 79.85,923 63.72,924 38.269,925 16.243,926 153.024,928 176.567,929 184.678,933 129.482,934 47.084,937 41.791,938 92.653,939 50.234,941 176.567,942 101.693,943 82.985,946 176.567,947 27.414,948 57.348,949 16.786,950 83.131,951 176.567,952 101.693,953 82.985,955 0.589,956 0.362,957 0.212,958 0.108,959 24,960 9,961 0.043,962 2,963 2,964 1.174,965 3.633,966 219.375,967 0.174,968 23,969 106.039,974 13.996,975 5.317,976 2.156,977 3.972,978 83.131,979 11.837,980 13.592,981 3.257,984 2.394,985 2.064,986 49.683,987 361.245,988 38,999 41.912,1000 47.481,1001 0.269,1002 0.696,1003 0.832,1004 0.903,1005 0.903,1006 0.903,1007 4.913,1008 1.345,1009 5.826,1010 4.052,1011 4.419,1012 5.05,1014 6.706,1015 4.351,1016 6.145,1017 1.151,1018 7.419,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.908,1025 7.481,1026 0.966,1027 9.116,1028 2.661,1029 6.066,1030 7.401,1032 10.895,1033 5.936,1034 8.863,1035 0.683,1036 10.877,1037 2.308,1038 6.553,1039 8.224,1041 12.785,1042 6.39,1043 10.282,1044 0.618,1045 12.678,1046 1.74,1047 8.038,1048 10.1,1050 15.47,1051 7.844,1052 11.728,1053 0.395,1054 14.509,1055 1.372,1056 8.916,1057 11.326,1059 17.706,1060 8.689,1061 13.194,1062 -0.286,1063 16.359,1064 0.983,1065 10.195,1066 12.989,1068 20.243,1069 9.936,1070 3.349,1071 -0.59,1072 18.225,1073 -0.672,1074 11.245,1075 14.392,1077 22.624,1078 10.95,1079 2.936,1080 12.147,1081 20.102,1082 -1.644,1083 12.454,1084 15.973,1086 25.12,1087 12.124,1088 2.677,1089 9.503,1090 21.99,1091 4.738,1092 13.579,1093 17.452,1095 27.562,1096 13.213,1097 2.38,1098 8.961,1099 23.885,1100 4.353,1101 14.768,1102 19.004,1104 30.05,1105 14.366,1106 1.996,1107 7.634,1108 25.787,1109 3.312,1110 15.928,1111 20.516,1113 32.52,1114 15.489,1115 1.552,1116 5.69,1117 27.695,1118 3.198,1119 17.114,1120 22.058,1122 35.008,1123 16.638,1124 1.533,1125 4.384,1126 29.608,1127 2.366,1128 18.292,1129 23.586,1131 37.491,1132 17.778,1133 5770,1134 8735,1135 19.592,1136 28.603,1137 43.113,1138 43.039,1139 43.439,1140 43.23,1141 43.162,1142 58.631,1144 129.925,1145 41.647,1146 5.668,1147 5.389,1148 6.646,1149 5.387,1150 5.349,1151 7.738,1153 19.687,1154 5.229,1155 5.845,1156 1.54,1157 1.537,1158 1.551,1159 1.544,1160 1.541,1161 2.094,1163 4.64,1164 1.487,1165 4.181,1166 4.223,1167 4.154,1168 4.075,1169 5.257,1170 4.087,1171 4.033,1172 4.08,1173 3.994,1174 3.891,1175 4.983,1176 3.912,1177 3.793,1178 3.851,1179 3.667,1180 3.678,1181 4.843,1182 3.669,1183 3.421,1184 3.482,1185 3.353,1186 3.279,1187 4.515,1188 3.288,1189 3.231,1190 3.323,1191 3.145,1192 2.958,1193 4.26,1194 2.995,1195 3.005,1196 3.099,1197 2.897,1198 2.824,1199 4.125,1200 2.828,1201 2.911,1202 2.993,1203 2.78,1204 2.698,1205 3.766,1206 2.713,1207 2.869,1208 2.979,1209 2.583,1210 2.671,1211 3.647,1212 2.635,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.766,1219 0.169,1220 3.389,1222 7.051,1223 0.434,1224 4.312,1225 0.115,1226 3.349,1227 4.738,1229 12.147,1230 3.229,1231 1.966,1232 1.946,1233 2.035,1234 2.05,1235 1.244,1236 2.043,1237 1.802,1238 1.758,1239 1.894,1240 1.991,1241 1.211,1242 1.964,1243 1.598,1244 1.541,1245 1.86,1246 1.789,1247 1.187,1248 1.793,1249 1.577,1250 1.507,1251 1.758,1252 1.751,1253 0.879,1254 1.783,1255 1.481,1256 1.418,1257 1.656,1258 1.696,1259 0.656,1260 1.692,1261 1.178,1262 1.121,1263 1.286,1264 1.398,1265 0.359,1266 1.377,1267 0.923,1268 0.84,1269 1.182,1270 1.247,1271 0.18,1272 1.238,1273 0.817,1274 0.743,1275 1.101,1276 1.085,1277 0.096,1278 1.083,1279 4.043,1281 5.398,1282 3.434,1283 6.948,1284 5.733,1285 8.592,1286 7.803,1287 10.289,1293 6.187,1295 4.79,1299 0.407,1305 27.289,1306 60.85,1307 157.683,1308 188.477,1309 204.477,1310 204.477,1311 204.477,1312 27.645,1313 7.736,1314 85.41,1315 85.41,1316 27,1317 12.792,1318 4.392,1319 3.459,1320 30.081,1321 71,1322 66,1323 0.208,1324 163.812,1325 259.44,1326 391.462,1327 22600,1329 16.096,1330 0.671,1331 0.552,1332 16.096,1333 13.236,1334 11.81,1335 0.422,1336 0.299,1337 8.276,1338 11.425,1339 8.153,1340 6.717,1341 11.81,1342 8.373,1343 10.782,1344 0.263,1345 0.158,1346 10.782,1347 6.469,1348 9.878,1349 0.165,1350 0.084,1351 9.878,1352 5.017,1353 8.93,1354 0.104,1355 0.044,1356 8.93,1357 3.796,1358 6.856,1359 0.064,1360 0.021,1361 6.856,1362 2.222,1363 0.312,1364 73.455,1365 0.226,1366 22.753,1367 0.622,1368 138,1369 334.226,1370 149.157,1371 334.444,1372 483.65,1373 316,1374 170,1375 387.265,1376 182.795,1377 392.299,1378 583.77,1379 372,1380 5.398}
{0 CHEMBL1242665,1 1.511,2 7.364,3 1.729,4 2.988,5 85.031,6 7.929,7 0.8,8 3.758,9 3.897,10 3.395,11 3.256,12 4.918,13 3.268,14 4.259,15 4.447,16 3.788,17 3.65,18 5.363,19 3.653,20 4.425,21 4.635,22 3.8,23 3.755,24 5.5,25 3.734,26 4.5,27 4.726,28 3.776,29 3.774,30 5.596,31 3.726,32 4.428,33 4.657,34 3.605,35 3.689,36 5.443,37 3.624,38 4.341,39 4.545,40 3.59,41 3.625,42 5.449,43 3.568,44 4.452,45 4.727,46 3.345,47 3.54,48 5.467,49 3.419,50 4.265,51 4.591,52 2.983,53 3.203,54 5.092,55 3.056,56 0.063,57 0.655,58 6.891,59 2.641,60 8.557,61 3.61,62 0.208,63 1.015,64 13.142,65 4.388,66 17.348,67 6.237,68 0.226,69 1.136,70 16.338,71 5.028,72 18.379,73 7.326,74 0.31,75 1.17,76 18.309,77 5.936,78 30.435,79 8.618,80 0.271,81 1.065,82 17.072,83 5.333,84 24.183,85 7.765,86 0.177,87 1.013,88 14.561,89 4.985,90 20.672,91 7.168,92 0.388,93 0.972,94 19.446,95 5.786,96 41.972,97 8.684,98 0.223,99 0.711,100 18.364,101 5.111,102 24.554,103 8.279,104 11,105 37,106 0.268,107 0.684,108 0.81,109 0.83,110 0.83,111 0.83,112 3.149,113 0.848,114 -4.08,115 -4.03,116 -3.82,119 40.5,120 2,127 1,142 2,143 2,145 1,146 1,147 1,148 1,151 2,161 2,163 1,164 1,165 1,166 1,172 2,174 3,175 10,177 1,178 1,180 1,183 3,185 1,186 1,187 7,195 2,198 2,199 7,201 3,202 3,204 1,207 2,209 1,211 2,212 6,217 2,220 2,222 2,223 2,224 2,229 2,232 4,234 2,236 4,239 2,240 2,250 4,275 596,276 14.93,277 14.93,278 14.93,279 14.93,280 14.93,281 12.687,282 9.487,283 8.559,284 15.368,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.888,291 7.5,292 4.022,293 13.044,294 3.699,295 1.349,296 0.635,297 0.527,298 0.527,299 0.527,300 3.844,303 1,304 1,305 1,306 358,307 2.646,310 81.99,311 94.212,314 147.247,318 1.091,319 15.367,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 162,332 4.762,333 3.376,334 7.039,335 4.302,336 3.339,337 4.737,339 12.088,340 3.218,341 4.414,342 2.939,343 6.253,344 3.866,345 2.93,346 4.353,348 9.393,349 2.749,350 3.852,351 2.666,352 6.073,353 3.507,354 2.557,355 3.301,357 8.572,358 2.424,359 3.746,360 2.404,361 5.713,362 3.324,363 2.37,364 3.179,366 7.457,367 2.255,368 3.056,369 1.822,370 4.82,371 2.685,372 1.743,373 2.328,375 4.819,376 1.637,377 3.034,378 1.55,379 4.518,380 2.493,381 1.55,382 2.3,384 4.378,385 1.457,386 3.009,387 1.533,388 4.333,389 2.474,390 1.533,391 2.133,393 4.044,394 1.441,395 2.636,396 1.155,397 3.864,398 2.096,399 1.153,400 1.7,402 2.795,403 1.085,404 2.47,405 1,406 3.509,407 1.955,408 1,409 1.457,411 2.398,412 0.952,413 2.133,414 0.837,415 3.419,416 1.764,417 0.806,418 1.036,420 2.014,421 0.77,422 1.885,423 0.401,424 3.036,425 1.347,426 0.396,427 0.588,428 0.984,429 0.376,430 1.061,431 -0.155,432 2.652,433 0.627,434 -0.288,435 -0.367,436 -0.673,437 -0.263,438 0.846,439 -0.59,440 2.424,441 0.377,442 -0.59,443 -0.818,445 -1.644,446 -0.569,447 0.628,448 -0.797,449 2.259,450 0.097,451 -0.841,452 -1,454 -2,455 -0.785,456 0.545,457 -0.907,458 2.206,459 0.018,460 -0.922,461 -1.149,463 -2.365,464 -0.865,465 10.3,466 0.468,467 0.61,468 0.028,469 32.25,470 1.466,471 16.5,472 0.75,473 15.75,474 0.716,475 15.28,476 0.695,477 22.7,478 0.614,479 21.462,480 0.976,481 6.16,482 0.28,483 4.488,484 0.204,485 0.136,487 0.417,493 0.93,494 1.443,495 0.72,496 1.076,497 1.069,498 0.898,499 0.886,500 1.095,501 0.687,502 0.845,503 0.621,504 0.751,505 1.206,506 1.125,507 0.914,508 0.897,509 0.865,510 0.862,511 0.908,512 0.965,513 0.943,514 0.975,515 0.974,516 0.966,517 1.179,518 0.996,519 1.143,520 1.03,521 1.05,522 1.071,523 1.019,524 1.363,525 1.154,526 1.359,527 1.221,528 1.294,529 0.96,530 0.772,531 1.202,532 1.051,533 1.503,534 1.149,535 0.831,536 0.947,537 0.803,538 0.881,539 0.585,540 0.845,541 4,543 2.889,544 1.986,545 1.682,546 0.747,547 0.484,548 0.336,549 0.173,550 0.056,551 4631,552 12037,553 2.148,554 40.5,556 3,557 2,558 2,559 2,561 6,564 1.652,565 2,566 2.918,567 0.393,568 1,569 1,571 1,573 55.892,574 1.511,575 3.86,576 4.574,577 4.682,578 4.682,579 4.682,580 2.244,581 4.096,582 4.433,583 3.039,584 701.894,585 7.649,586 7411.73,587 1,588 1,590 1,591 192.75,592 1.437,593 4.388,594 0.16,596 0.078,597 0.054,598 0.048,599 0.026,600 0.017,601 0.017,602 0.012,603 0.009,604 0.421,605 0.67,606 1,607 0.797,608 98.122,609 -0.014,610 -0.251,611 0.069,612 -0.093,613 -0.179,614 -0.014,615 0.134,616 0.018,617 0.194,618 0.112,619 0.181,620 0.154,621 -0.186,622 -0.058,623 -0.003,624 0.057,625 -0.007,626 0.059,627 0.083,628 0.057,629 -0.002,630 -0.009,631 0.062,632 -0.018,633 -0.184,634 0.023,635 -0.204,636 -0.069,637 -0.121,638 -0.128,639 -0.076,640 -0.315,641 -0.258,642 -0.39,643 -0.119,644 -0.362,645 0.08,646 0.148,647 -0.176,648 -0.102,649 -0.24,650 -0.169,651 0.089,652 -0.193,653 0.331,654 0.121,655 0.308,656 0.243,657 1.227,658 2.075,659 0.818,660 14.281,661 1.007,662 1.139,663 2.854,664 8.145,665 0.678,666 3.258,667 3.638,668 3.989,669 4.331,670 4.564,671 4.718,672 4.844,673 4.997,674 5.011,675 5.063,676 4.727,677 0.656,678 293.37,679 3.258,680 4.828,681 5.72,682 6.637,683 7.55,684 8.473,685 9.393,686 10.318,687 11.241,688 12.168,689 18.9,693 1,697 2,699 4,703 3,704 6,705 4,709 3,710 1,711 20,722 1,731 37,733 20,735 25,737 40,738 15,739 12,746 4,747 6,752 2,758 1,761 12,762 3,777 1,778 1,781 15,782 5,783 2,784 7,787 1,790 7,794 0.5,803 1,805 1,806 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,877 11,878 7.367,879 4.694,880 2.212,881 4.036,882 1.548,883 1.039,884 2.876,885 11.394,886 3.584,887 4.311,888 5.047,889 5.756,890 6.317,891 6.781,892 7.281,893 7.804,894 8.115,895 8.545,896 0.8,897 37,898 8.061,900 3.472,901 7.652,902 15.394,904 12.785,905 2.152,906 47.333,910 153.024,911 86.638,912 102.98,917 86.638,918 153.024,919 102.98,920 17.65,922 69.945,923 93.992,924 29.244,925 25.87,926 105.94,928 153.024,929 189.617,933 82.398,934 70.627,937 44.567,938 78.031,939 67.02,941 153.024,942 102.98,943 86.638,946 153.024,947 14.274,948 75.427,950 99.917,951 153.024,952 102.98,953 86.638,955 0.595,956 0.361,957 0.208,958 0.113,959 21,960 9,961 0.05,962 2,963 2,964 1.222,965 3.351,966 189.252,967 0.222,968 18,969 96.107,974 13.225,975 4.784,976 1.994,977 2.396,978 99.917,979 11.076,980 17.485,984 2.173,985 1.873,986 32.897,987 342.642,988 35,999 37.247,1000 42.149,1001 0.29,1002 0.741,1003 0.878,1004 0.899,1005 0.899,1006 0.899,1007 4.828,1008 1.153,1009 5.733,1010 4.044,1011 4.317,1012 4.997,1014 6.621,1015 4.214,1016 6.086,1017 1,1018 7.339,1019 2.795,1020 4.007,1021 4.956,1023 7.667,1024 3.863,1025 7.431,1026 0.806,1027 9.047,1028 2.398,1029 5.979,1030 7.379,1032 10.823,1033 5.781,1034 8.82,1035 0.396,1036 10.814,1037 2.014,1038 6.509,1039 8.216,1041 12.718,1042 6.273,1043 10.245,1044 -0.288,1045 12.62,1046 0.984,1047 7.965,1048 10.091,1050 15.4,1051 7.684,1052 11.695,1053 -0.59,1054 14.452,1055 -0.673,1056 8.862,1057 11.321,1059 17.638,1060 8.545,1061 13.165,1062 -0.841,1063 16.304,1064 -1.644,1065 10.131,1066 12.984,1068 20.174,1069 9.774,1070 3.339,1071 -0.922,1072 18.171,1073 -2,1074 11.189,1075 14.388,1077 22.556,1078 10.797,1079 2.93,1080 12.088,1081 20.049,1082 -2.365,1083 12.395,1084 15.97,1086 25.05,1087 11.965,1088 2.557,1089 9.393,1090 21.937,1091 4.737,1092 13.524,1093 17.449,1095 27.492,1096 13.06,1097 2.37,1098 8.572,1099 23.832,1100 4.353,1101 14.711,1102 19.001,1104 29.977,1105 14.212,1106 1.743,1107 7.457,1108 25.735,1109 3.301,1110 15.873,1111 20.513,1113 32.445,1114 15.34,1115 1.55,1116 4.819,1117 27.643,1118 3.179,1119 17.058,1120 22.055,1122 34.93,1123 16.491,1124 1.533,1125 4.378,1126 29.556,1127 2.328,1128 18.236,1129 23.583,1131 37.411,1132 17.636,1133 4398,1134 7226,1135 16.819,1136 25.086,1137 39.193,1138 38.662,1139 40.034,1140 38.772,1141 38.753,1142 54.225,1144 117.881,1145 36.729,1146 5.437,1147 5.376,1148 6.567,1149 5.375,1150 5.339,1151 7.737,1153 19.555,1154 5.172,1155 9.728,1156 1.568,1157 1.546,1158 1.601,1159 1.551,1160 1.55,1161 2.169,1163 4.715,1164 1.469,1165 4.171,1166 4.219,1167 4.149,1168 4.025,1169 5.26,1170 4.05,1171 4.015,1172 4.073,1173 3.987,1174 3.828,1175 5.059,1176 3.861,1177 3.578,1178 3.655,1179 3.445,1180 3.411,1181 4.854,1182 3.403,1183 3.388,1184 3.442,1185 3.319,1186 3.249,1187 4.52,1188 3.261,1189 3.117,1190 3.213,1191 3.001,1192 2.876,1193 4.26,1194 2.901,1195 2.987,1196 3.092,1197 2.868,1198 2.743,1199 4.044,1200 2.751,1201 2.881,1202 3.009,1203 2.763,1204 2.669,1205 3.784,1206 2.698,1207 2.874,1208 2.953,1209 2.499,1210 2.618,1211 3.649,1212 2.57,1213 0.19,1214 0.135,1215 0.282,1216 0.172,1217 0.134,1218 4.762,1219 0.189,1220 3.376,1222 7.039,1223 0.484,1224 4.302,1225 0.129,1226 3.339,1227 4.737,1229 12.088,1230 3.218,1231 1.942,1232 1.91,1233 2.007,1234 2.076,1235 1.157,1236 2.058,1237 1.801,1238 1.749,1239 1.946,1240 2.013,1241 1.125,1242 1.987,1243 1.617,1244 1.55,1245 1.777,1246 1.828,1247 0.847,1248 1.824,1249 1.399,1250 1.342,1251 1.56,1252 1.591,1253 0.549,1254 1.586,1255 1.138,1256 1.071,1257 1.417,1258 1.411,1259 0.469,1260 1.377,1261 0.934,1262 0.819,1263 1.247,1264 1.239,1265 0.235,1266 1.308,1267 0.901,1268 0.804,1269 1.139,1270 1.239,1271 0.166,1272 1.22,1273 0.817,1274 0.742,1275 1.1,1276 1.083,1277 0.034,1278 1.075,1279 3.932,1281 5.293,1282 3.045,1283 6.851,1284 5.416,1285 8.502,1286 7.554,1287 10.204,1289 4.124,1293 6.075,1299 0.181,1305 24.257,1306 55.892,1307 142.834,1308 169.24,1309 173.24,1310 173.24,1311 173.24,1312 24.879,1313 7.358,1314 86.92,1315 86.92,1316 22,1317 12.673,1318 4.392,1319 3.459,1320 29.673,1321 61,1322 56,1323 0.243,1324 149.223,1325 230.9,1326 355.864,1327 14040,1329 15.267,1330 0.694,1331 0.559,1332 15.267,1333 12.302,1334 10.648,1335 0.426,1336 0.283,1337 6.947,1338 10.155,1339 6.748,1340 5.632,1341 10.648,1342 7.067,1343 9.981,1344 0.27,1345 0.147,1346 9.981,1347 5.453,1348 8.729,1349 0.165,1350 0.069,1351 8.729,1352 3.679,1353 7.769,1354 0.104,1355 0.035,1356 7.769,1357 2.615,1358 6.227,1359 0.066,1360 0.018,1361 6.227,1362 1.741,1363 0.361,1364 67.059,1365 0.244,1366 21.001,1367 0.729,1368 124,1369 343.183,1370 137.627,1371 340.019,1372 487.22,1373 320,1374 152,1375 390.279,1376 167.32,1377 393.58,1378 582.18,1379 371,1380 4}
{0 CHEMBL1242666,1 1.597,2 8.75,3 2.479,4 6.145,5 94.241,6 8.01,7 0.741,8 3.824,9 3.954,10 3.458,11 3.359,12 5.022,13 3.364,14 4.321,15 4.492,16 3.85,17 3.764,18 5.446,19 3.756,20 4.516,21 4.707,22 3.924,23 3.879,24 5.64,25 3.857,26 4.635,27 4.851,28 3.917,29 3.896,30 5.811,31 3.855,32 4.556,33 4.775,34 3.707,35 3.805,36 5.644,37 3.74,38 4.452,39 4.659,40 3.65,41 3.723,42 5.573,43 3.66,44 4.505,45 4.766,46 3.443,47 3.648,48 5.517,49 3.536,50 4.376,51 4.677,52 3.241,53 3.409,54 5.325,55 3.287,56 0.078,57 0.672,58 7.196,59 3.069,60 9.892,61 3.933,62 0.197,63 1.056,64 13.553,65 5.248,66 22.265,67 6.995,68 0.21,69 1.237,70 17.138,71 6.096,72 20.309,73 8.374,74 0.413,75 1.319,76 20.894,77 6.959,78 42.756,79 9.633,80 0.317,81 1.184,82 19.424,83 6.404,84 37.125,85 8.787,86 0.235,87 1.096,88 16.783,89 5.876,90 32.561,91 8.07,92 0.338,93 1.075,94 19.966,95 6.343,96 40.46,97 9.234,98 0.291,99 0.856,100 19.834,101 6.052,102 36.569,103 9.294,104 21,105 40,106 0.278,107 0.696,108 0.819,109 0.84,110 0.84,111 0.84,112 3.23,113 0.85,114 -3.96,115 -3.91,116 -3.71,119 42.5,120 2,127 1,142 3,143 4,146 1,147 1,148 1,151 1,152 1,155 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 8,177 1,178 1,180 4,183 7,185 1,186 1,187 6,192 2,195 6,198 2,199 8,201 3,202 4,204 2,207 4,209 1,212 8,215 1,217 3,220 3,222 2,224 7,227 1,229 3,232 5,234 3,237 3,240 2,241 1,242 1,244 1,245 2,247 1,249 1,250 3,255 3,258 2,260 1,262 1,271 2,275 756,276 16.301,277 16.301,278 16.301,279 16.301,280 16.301,281 14.011,282 10.132,283 9.252,284 16.598,285 13.243,286 13.243,287 13.243,288 13.243,289 13.243,290 9.606,291 7.5,292 4.243,293 13.711,294 3.725,295 1.317,296 0.607,297 0.488,298 0.488,299 0.488,300 3.924,303 1,304 1,305 1,306 459,307 2.915,310 91.987,311 106.479,314 166.107,318 1.375,319 22.003,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52,331 210,332 4.765,333 3.378,334 7.04,335 4.306,336 3.341,337 4.741,339 12.089,340 3.228,341 4.539,342 3.182,343 6.541,344 4.057,345 3.072,346 4.494,348 10.319,349 3.023,350 3.9,351 2.772,352 6.136,353 3.555,354 2.59,355 3.379,357 8.768,358 2.5,359 3.771,360 2.645,361 5.753,362 3.383,363 2.421,364 3.19,366 7.585,367 2.326,368 3.335,369 2.403,370 5.1,371 2.888,372 1.902,373 2.658,375 5.802,376 1.869,377 3.05,378 1.825,379 4.819,380 2.682,381 1.741,382 2.321,384 4.817,385 1.635,386 3.014,387 1.679,388 4.435,389 2.501,390 1.546,391 2.141,393 4.072,394 1.474,395 2.858,396 1.546,397 4.195,398 2.34,399 1.372,400 2.006,402 3.655,403 1.323,404 2.509,405 1.301,406 3.86,407 1.994,408 1.039,409 1.505,411 2.744,412 0.989,413 2.337,414 1.029,415 3.49,416 1.768,417 0.806,418 1.125,420 2.036,421 0.774,422 2.131,423 0.838,424 3.242,425 1.744,426 0.741,427 1.026,428 1.611,429 0.733,430 1.916,431 0.581,432 2.753,433 1.312,434 0.249,435 0.409,436 0.397,437 0.263,438 1.062,439 -0.149,440 2.562,441 0.631,442 -0.287,443 -0.365,445 -0.669,446 -0.262,447 0.873,448 -0.502,449 2.424,450 0.416,451 -0.565,452 -0.789,454 -1.476,455 -0.554,456 0.696,457 -0.714,458 2.26,459 0.193,460 -0.803,461 -1,463 -2,464 -0.79,465 11.233,466 0.468,467 0.661,468 0.028,469 34.25,470 1.427,471 18,472 0.75,473 16.25,474 0.677,475 17.423,476 0.726,477 24.767,478 0.619,479 24.503,480 1.021,481 6.683,482 0.278,483 4.913,484 0.205,485 0.154,487 0.436,493 0.8,494 1.224,495 0.725,496 0.961,497 0.706,498 0.844,499 0.758,500 1.052,501 0.688,502 0.85,503 0.613,504 0.771,505 0.904,506 1.208,507 0.86,508 0.998,509 0.584,510 0.923,511 0.903,512 0.947,513 0.958,514 0.957,515 0.852,516 0.961,517 1.183,518 1.028,519 1.173,520 1.043,521 0.986,522 1.089,523 1.045,524 1.265,525 1.156,526 1.219,527 1.012,528 1.208,529 0.853,530 0.909,531 1.173,532 1.062,533 0.799,534 1.14,535 0.667,536 0.888,537 0.788,538 0.858,539 0.542,540 0.84,541 4.5,542 0.054,543 3.333,544 2.458,545 1.847,546 0.861,547 0.58,548 0.345,549 0.285,550 0.164,551 5841,552 16558,553 2.11,554 40,556 4,557 1,558 2,559 3,561 6,564 1.674,565 1.946,566 3.098,567 1.039,568 1,569 1,571 1,573 63.88,574 1.597,575 4.005,576 4.715,577 4.834,578 4.834,579 4.834,580 2.555,581 4.335,582 4.556,583 3.235,584 892.868,585 7.887,586 9985.41,587 1,588 1,590 1,591 212.877,592 1.483,593 4.504,594 0.167,595 0.008,596 0.083,597 0.059,598 0.046,599 0.027,600 0.019,601 0.015,602 0.015,603 0.013,604 0.451,605 0.5,606 1,607 0.921,608 111.333,609 -0.045,610 -0.047,611 0.04,612 0.02,613 -0.092,614 0.041,615 0.054,616 0.05,617 0.161,618 0.13,619 0.023,620 0.154,621 -0.081,622 -0.133,623 0.022,624 -0.035,625 0.021,626 0.006,627 0.081,628 0.086,629 -0.012,630 -0.012,631 0.033,632 -0.026,633 -0.219,634 -0.015,635 -0.227,636 -0.087,637 -0.106,638 -0.143,639 -0.153,640 -0.241,641 -0.238,642 -0.255,643 -0.14,644 -0.263,645 -0.045,646 0.052,647 -0.171,648 -0.106,649 -0.13,650 -0.148,651 0.154,652 -0.058,653 0.316,654 0.145,655 0.185,656 0.244,657 1.262,658 4.066,659 0.75,660 17.833,661 1.009,662 1.132,663 2.727,664 7.437,665 0.682,666 3.332,667 3.714,668 4.078,669 4.419,670 4.654,671 4.812,672 4.956,673 5.124,674 5.193,675 5.303,676 5.228,677 0.662,678 320.39,679 3.332,680 4.905,681 5.802,682 6.723,683 7.64,684 8.566,685 9.489,686 10.418,687 11.343,688 12.273,689 15,693 1,697 2,699 3,703 4,704 5,705 3,706 1,709 4,710 1,711 20,712 1,722 1,731 40,733 21,734 1,735 27,737 43,738 17,739 13,740 3,741 3,742 1,746 4,747 6,752 2,758 1,761 14,762 3,766 1,771 1,773 1,777 1,778 1,781 16,782 5,783 3,784 7,790 6,794 0.5,795 1,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 2,848 24,849 1,858 1,870 2.5,873 1,877 12.333,878 7.883,879 5.222,880 2.378,881 4.169,882 1.55,883 1.035,884 3.358,885 11.753,886 3.664,887 4.376,888 5.125,889 5.838,890 6.407,891 6.88,892 7.388,893 7.923,894 8.283,895 8.751,896 0.833,897 42,898 8.807,900 3.821,901 7.799,902 16.669,904 13.929,905 2.299,906 55.167,909 1,910 153.024,911 95.631,912 101.693,914 25.145,917 95.631,918 178.169,919 101.693,920 17.65,922 70.373,923 112.061,924 41.455,925 16.243,926 117.711,928 153.024,929 197.324,930 25.145,933 82.398,934 95.772,937 49.303,938 86.362,939 61.658,941 153.024,942 126.838,943 95.631,946 153.024,947 20.461,948 76.946,949 16.786,950 108.276,951 153.024,952 126.838,953 95.631,955 0.592,956 0.368,957 0.212,958 0.115,959 22,960 10,961 0.07,962 3,963 2,964 1.222,965 3.489,966 212.262,967 0.222,968 18,969 108.039,974 14.851,975 5.427,976 2.225,977 3.211,978 108.276,979 8.949,980 13.154,981 3.113,984 2.674,985 1.846,986 49.683,987 375.493,988 38,993 11.066,995 0.84,999 40.356,1000 45.275,1001 0.3,1002 0.753,1003 0.886,1004 0.908,1005 0.908,1006 0.908,1007 4.913,1008 1.372,1009 5.82,1010 4.072,1011 4.394,1012 5.063,1014 6.72,1015 4.33,1016 6.171,1017 1.039,1018 7.435,1019 3.655,1020 4.111,1021 5.047,1023 7.794,1024 4.021,1025 7.518,1026 0.806,1027 9.152,1028 2.744,1029 6.071,1030 7.45,1032 10.945,1033 5.948,1034 8.91,1035 0.741,1036 10.926,1037 2.036,1038 6.621,1039 8.31,1041 12.853,1042 6.476,1043 10.338,1044 0.249,1045 12.738,1046 1.611,1047 8.071,1048 10.174,1050 15.533,1051 7.895,1052 11.792,1053 -0.287,1054 14.575,1055 0.397,1056 8.983,1057 11.423,1059 17.773,1060 8.78,1061 13.266,1062 -0.565,1063 16.431,1064 -0.669,1065 10.251,1066 13.082,1068 20.303,1069 10.018,1070 3.341,1071 -0.803,1072 18.301,1073 -1.476,1074 11.318,1075 14.5,1077 22.679,1078 11.056,1079 3.072,1080 12.089,1081 20.182,1082 -2,1083 12.523,1084 16.082,1086 25.165,1087 12.231,1088 2.59,1089 10.319,1090 22.072,1091 4.741,1092 13.656,1093 17.57,1095 27.598,1096 13.334,1097 2.421,1098 8.768,1099 23.969,1100 4.494,1101 14.843,1102 19.125,1104 30.074,1105 14.489,1106 1.902,1107 7.585,1108 25.872,1109 3.379,1110 16.006,1111 20.643,1113 32.533,1114 15.62,1115 1.741,1116 5.802,1117 27.78,1118 3.19,1119 17.189,1120 22.187,1122 35.009,1123 16.771,1124 1.546,1125 4.817,1126 29.693,1127 2.658,1128 18.366,1129 23.718,1131 37.481,1132 17.914,1133 5617,1134 9574,1135 17.918,1136 27.296,1137 42.473,1138 43.513,1139 44.034,1140 41.772,1141 41.638,1142 57.988,1144 127.792,1145 40.275,1146 5.44,1147 5.378,1148 6.583,1149 5.379,1150 5.341,1151 7.741,1153 19.563,1154 5.228,1155 12.235,1156 1.573,1157 1.612,1158 1.631,1159 1.547,1160 1.542,1161 2.148,1163 4.733,1164 1.492,1165 4.182,1166 4.22,1167 4.157,1168 4.082,1169 7.452,1170 4.094,1171 4.033,1172 4.079,1173 4.007,1174 3.88,1175 5.257,1176 3.908,1177 3.579,1178 3.656,1179 3.445,1180 3.418,1181 4.955,1182 3.409,1183 3.465,1184 3.506,1185 3.402,1186 3.329,1187 4.838,1188 3.341,1189 3.159,1190 3.234,1191 3.073,1192 2.899,1193 4.514,1194 2.929,1195 3.121,1196 3.182,1197 3.006,1198 2.887,1199 4.236,1200 2.912,1201 2.989,1202 3.095,1203 2.869,1204 2.683,1205 4.035,1206 2.722,1207 2.874,1208 3.009,1209 2.655,1210 2.618,1211 3.733,1212 2.589,1213 0.176,1214 0.125,1215 0.261,1216 0.159,1217 0.124,1218 4.765,1219 0.176,1220 3.378,1222 7.04,1223 0.448,1224 4.306,1225 0.12,1226 3.341,1227 4.741,1229 12.089,1230 3.228,1231 1.97,1232 1.951,1233 2.034,1234 2.052,1235 1.198,1236 2.044,1237 1.81,1238 1.765,1239 1.947,1240 2.004,1241 1.143,1242 1.984,1243 1.629,1244 1.572,1245 1.783,1246 1.821,1247 0.876,1248 1.821,1249 1.545,1250 1.497,1251 1.679,1252 1.754,1253 0.695,1254 1.735,1255 1.194,1256 1.133,1257 1.417,1258 1.439,1259 0.469,1260 1.411,1261 0.99,1262 0.926,1263 1.315,1264 1.31,1265 0.355,1266 1.308,1267 0.934,1268 0.804,1269 1.215,1270 1.239,1271 0.181,1272 1.289,1273 0.851,1274 0.765,1275 1.124,1276 1.181,1277 0.04,1278 1.164,1279 4.007,1281 5.371,1282 3.045,1283 6.934,1284 5.476,1285 8.591,1286 7.653,1287 10.297,1289 4.081,1293 6.088,1299 0.145,1305 26.477,1306 63.88,1307 160.206,1308 188.612,1309 193.367,1310 193.367,1311 193.367,1312 34.07,1313 7.584,1314 102.48,1315 102.48,1316 22,1317 12.776,1318 4.459,1319 3.585,1320 33.707,1321 74,1322 86,1323 0.228,1324 162.682,1325 260.65,1326 388.704,1327 18538,1329 16.845,1330 0.702,1331 0.555,1332 16.845,1333 13.316,1334 11.597,1335 0.43,1336 0.283,1337 7.539,1338 11.124,1339 7.318,1340 6.101,1341 11.597,1342 7.652,1343 10.7,1344 0.267,1345 0.149,1346 10.7,1347 5.967,1348 9.519,1349 0.164,1350 0.071,1351 9.519,1352 4.121,1353 8.455,1354 0.103,1355 0.036,1356 8.455,1357 2.951,1358 6.825,1359 0.066,1360 0.019,1361 6.825,1362 1.97,1363 0.344,1364 72.883,1365 0.236,1366 22.78,1367 0.668,1368 134,1369 383.961,1370 146.596,1371 378.014,1372 530.25,1373 354,1374 165,1375 408.992,1376 178.957,1377 415.531,1378 613.75,1379 391,1380 6.347}
{0 CHEMBL1242748,1 1.817,2 7.87,3 1.417,4 2.007,5 82.917,6 8.523,7 0.615,8 3.781,9 3.892,10 3.45,11 3.255,12 5.013,13 3.293,14 4.3,15 4.448,16 3.845,17 3.656,18 5.509,19 3.685,20 4.517,21 4.707,22 3.896,23 3.73,24 5.823,25 3.737,26 4.514,27 4.73,28 3.855,29 3.706,30 5.736,31 3.709,32 4.435,33 4.625,34 3.771,35 3.7,36 5.597,37 3.688,38 4.42,39 4.601,40 3.746,41 3.671,42 5.647,43 3.652,44 4.511,45 4.737,46 3.611,47 3.562,48 5.778,49 3.506,50 4.376,51 4.649,52 3.158,53 3.215,54 5.602,55 3.117,56 0.176,57 0.67,58 6.121,59 3.017,60 18.119,61 3.368,62 0.389,63 1.059,64 12.264,65 5.089,66 30.778,67 5.887,68 0.662,69 1.224,70 17.688,71 5.893,72 66.713,73 7.479,74 0.63,75 1.193,76 18.612,77 5.753,78 60.265,79 7.472,80 0.479,81 1.08,82 15.192,83 5.158,84 39.692,85 6.755,86 0.441,87 1.089,88 14.42,89 5.448,90 39.963,91 7,92 0.678,93 1.038,94 19.345,95 6.194,96 66.726,97 8.508,98 0.732,99 0.803,100 21.041,101 5.849,102 87.191,103 8.12,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.831,114 -4.01,115 -3.96,116 -3.75,119 40.5,121 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 3,185 1,186 2,187 4,192 2,195 3,198 3,199 6,201 3,202 3,204 2,207 2,209 1,211 1,212 6,215 1,217 3,220 1,222 2,224 4,227 1,229 2,232 2,234 2,236 1,237 2,239 1,240 3,241 1,244 1,245 1,250 1,255 1,266 1,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 14.573,283 9.039,284 16.104,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 12.629,292 4.272,293 13.611,294 3.392,295 1.038,296 0.453,297 0.216,298 0.216,299 0.216,300 3.884,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 33.532,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 181,332 4.763,333 3.399,334 7.05,335 4.31,336 3.347,337 4.733,338 0.86,339 12.146,340 3.223,341 4.218,342 3.167,343 6.261,344 3.799,345 2.843,346 3.88,348 9.314,349 2.713,350 3.878,351 2.864,352 5.971,353 3.601,354 2.651,355 3.243,357 8.322,358 2.512,359 3.68,360 2.456,361 5.68,362 3.272,363 2.324,364 3.086,366 7.318,367 2.189,368 3.239,369 2.271,370 5.078,371 2.92,372 1.994,373 2.365,375 5.689,376 1.842,377 2.996,378 1.87,379 4.469,380 2.448,381 1.513,382 2.231,384 4.136,385 1.411,386 2.82,387 1.688,388 4.235,389 2.365,390 1.414,391 1.948,393 3.533,394 1.333,395 2.638,396 1.529,397 4.038,398 2.253,399 1.342,400 1.684,402 3.509,403 1.217,404 2.442,405 1.09,406 3.662,407 1.963,408 1.035,409 1.423,411 2.565,412 0.956,413 1.857,414 0.939,415 3.249,416 1.618,417 0.683,418 0.784,420 1.743,421 0.632,422 1.618,423 0.869,424 3,425 1.538,426 0.618,427 0.618,428 1.372,429 0.563,430 1.371,431 0.579,432 2.736,433 0.989,434 0.103,435 0.124,436 0.227,437 0.089,438 1.057,439 -0.139,440 2.462,441 0.618,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.286,449 2.375,450 0.353,451 -0.595,452 -0.769,454 -1.604,455 -0.555,456 0.626,457 -0.628,458 2.333,459 0.129,460 -0.795,461 -1.041,463 -2.197,464 -0.727,465 10.452,466 0.454,467 0.61,468 0.027,469 31,470 1.348,471 15,472 0.652,473 16,474 0.696,475 16.527,476 0.719,477 24.948,478 0.674,479 22.565,480 0.981,481 6.148,482 0.267,483 5,484 0.217,485 0.097,487 0.421,491 1,493 0.809,494 1.11,495 0.677,496 1.013,497 0.761,498 0.846,499 0.904,500 1.042,501 0.77,502 0.974,503 0.623,504 0.868,505 0.896,506 1.156,507 0.907,508 1.004,509 0.733,510 0.966,511 0.89,512 0.883,513 0.904,514 0.815,515 0.908,516 0.836,517 0.761,518 0.917,519 1.014,520 0.997,521 0.565,522 1.04,523 0.744,524 1.065,525 1.047,526 1.264,527 0.717,528 1.243,529 0.717,530 0.935,531 1.061,532 1.194,533 0.769,534 1.232,535 1.034,536 0.675,537 1.054,538 0.959,539 1.017,540 1.025,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 16947,553 2.141,554 37.8,556 8,558 1,559 3,562 2,564 1.666,565 2,566 2.981,567 1.118,568 1,569 1,571 1,573 67.234,574 1.817,575 4.171,576 4.757,577 4.993,578 4.993,579 4.993,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,590 1,591 192.75,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.5,606 1,607 0.58,608 104.348,609 -0.102,610 -0.061,611 0.02,612 0.012,613 -0.111,614 0.047,615 -0.091,616 -0.052,617 0.031,618 0.023,620 0.049,621 0.001,622 -0.162,623 0.002,624 -0.041,625 0.119,626 -0.026,627 -0.047,628 0.115,629 0.03,630 0.113,631 -0.073,632 0.102,633 -0.091,634 -0.028,635 -0.173,636 -0.064,637 -0.034,638 -0.114,639 -0.027,640 -0.126,641 -0.207,642 -0.298,643 -0.041,644 -0.302,645 0.159,646 -0.081,647 -0.063,648 -0.241,649 0.075,650 -0.233,651 0.08,652 0.101,653 0.131,654 0.023,655 0.102,656 0.067,657 2.356,658 5.317,659 0.87,660 16.378,661 1.03,662 1.144,663 2.781,664 7.734,665 0.667,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.664,678 315.34,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 13.5,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 26,737 40,738 15,739 11,740 3,741 3,746 4,747 5,755 2,758 2,761 11,762 4,777 1,778 1,779 1,781 14,782 7,783 3,784 8,790 5,794 0.75,795 2,801 1,803 1,806 1,811 2,812 2,815 1,839 1,840 3,846 1,848 23,849 1,853 1,854 3,856 1,858 1,869 1,870 5.4,872 1,874 1,877 11.5,878 6.56,879 4.944,880 2.116,881 3.077,882 1.423,883 0.997,884 3.399,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.513,900 3.817,901 8.022,902 15.802,904 13.349,905 2.522,906 58,910 129.482,911 70.446,912 84.908,914 53.683,915 14.96,917 70.446,918 183.165,919 99.868,921 11.719,922 61.326,923 117.404,924 28.031,925 17.288,926 117.711,928 129.482,929 155.354,930 68.643,933 120.9,934 66.226,935 11,937 26.587,938 78.533,939 50.234,941 144.442,942 138.591,943 70.446,946 129.482,947 33.399,948 38.824,950 151.775,951 129.482,952 153.551,953 70.446,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.05,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 104.042,974 14.364,975 5.442,976 2.328,977 1.192,978 151.775,979 5.434,980 12.903,984 0.225,985 1.774,986 75.581,987 353.479,988 34,999 38.094,1000 42.326,1001 0.349,1002 0.801,1003 0.913,1004 0.958,1005 0.958,1006 0.958,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1013 0.908,1014 6.629,1015 4.234,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1031 0.739,1032 10.82,1033 5.802,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.278,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1049 0.593,1050 15.401,1051 7.7,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.551,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1067 0.469,1068 20.188,1069 9.786,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.804,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1085 0.366,1086 25.08,1087 11.976,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.069,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1103 0.283,1104 30.022,1105 14.225,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.353,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1121 0.217,1122 34.989,1123 16.506,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.652,1133 4917,1134 9029,1135 17.512,1136 24.682,1137 39.656,1138 40.929,1139 41.079,1140 39.72,1141 39.736,1142 52.237,1143 1.72,1144 119.749,1145 37.361,1146 5.665,1147 5.399,1148 6.646,1149 5.395,1150 5.347,1151 7.733,1152 1.72,1153 19.683,1154 5.223,1155 10.157,1156 1.525,1157 1.574,1158 1.58,1159 1.528,1160 1.528,1161 2.009,1162 0.066,1163 4.606,1164 1.437,1165 4.14,1166 4.186,1167 4.122,1168 3.996,1169 8.201,1170 4.021,1171 3.854,1172 3.88,1173 3.813,1174 3.738,1175 6.465,1176 3.752,1177 3.725,1178 3.771,1179 3.621,1180 3.549,1181 5.254,1182 3.558,1183 3.269,1184 3.351,1185 3.216,1186 3.001,1187 4.876,1188 3.044,1189 3.035,1190 3.123,1191 2.959,1192 2.782,1193 4.615,1194 2.811,1195 2.931,1196 2.978,1197 2.804,1198 2.745,1199 4.562,1200 2.747,1201 2.866,1202 2.961,1203 2.737,1204 2.613,1205 4.345,1206 2.624,1207 2.79,1208 2.867,1209 2.554,1210 2.572,1211 3.704,1212 2.568,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.399,1221 0.033,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1228 0.86,1229 12.146,1230 3.223,1231 1.922,1232 1.903,1233 1.985,1234 2.034,1235 1.241,1236 2.014,1237 1.784,1238 1.74,1239 1.887,1240 1.971,1241 1.107,1242 1.948,1243 1.584,1244 1.527,1245 1.752,1246 1.779,1247 0.862,1248 1.774,1249 1.317,1250 1.264,1251 1.585,1252 1.619,1253 0.78,1254 1.609,1255 1.111,1256 1.062,1257 1.236,1258 1.37,1259 0.251,1260 1.339,1261 0.883,1262 0.839,1263 1.152,1264 1.231,1265 0.142,1266 1.208,1267 0.864,1268 0.769,1269 1.114,1270 1.133,1271 0.084,1272 1.13,1273 0.749,1274 0.662,1275 0.974,1276 1.049,1278 1.034,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1291 13.317,1293 6.002,1294 9.629,1295 2.044,1297 5.415,1299 0.064,1305 24.554,1306 67.234,1307 154.343,1308 175.995,1309 184.75,1310 184.75,1311 184.75,1312 40.674,1313 7.274,1314 99.08,1315 99.08,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 147.752,1325 246.09,1326 352.276,1327 12138,1328 2.7,1329 15.974,1330 0.695,1331 0.526,1332 15.104,1333 12.108,1334 11.148,1335 0.429,1336 0.277,1337 7.044,1338 10.514,1339 6.975,1340 5.687,1341 10.737,1342 7.202,1343 10.285,1344 0.271,1345 0.143,1346 9.789,1347 5.434,1348 9.187,1349 0.17,1350 0.074,1351 8.525,1352 3.989,1353 7.78,1354 0.104,1355 0.038,1356 7.672,1357 2.827,1358 6.179,1359 0.064,1360 0.018,1361 5.979,1362 1.746,1363 0.357,1364 71.473,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 461.889,1370 146.249,1371 415.57,1372 562.73,1373 388,1374 156,1375 416.293,1376 175.687,1377 411.151,1378 609.98,1379 387,1380 6.187}
{0 CHEMBL1242749,1 1.817,2 7.87,3 1.417,4 2.007,5 82.917,6 8.523,7 0.615,8 3.781,9 3.892,10 3.45,11 3.255,12 5.013,13 3.293,14 4.3,15 4.448,16 3.845,17 3.656,18 5.509,19 3.685,20 4.517,21 4.707,22 3.896,23 3.73,24 5.823,25 3.737,26 4.514,27 4.73,28 3.855,29 3.706,30 5.736,31 3.709,32 4.435,33 4.625,34 3.771,35 3.7,36 5.597,37 3.688,38 4.42,39 4.601,40 3.746,41 3.671,42 5.647,43 3.652,44 4.511,45 4.737,46 3.611,47 3.562,48 5.778,49 3.506,50 4.376,51 4.649,52 3.158,53 3.215,54 5.602,55 3.117,56 0.176,57 0.67,58 6.121,59 3.017,60 18.119,61 3.368,62 0.389,63 1.059,64 12.264,65 5.089,66 30.778,67 5.887,68 0.662,69 1.224,70 17.688,71 5.893,72 66.713,73 7.479,74 0.63,75 1.193,76 18.612,77 5.753,78 60.265,79 7.472,80 0.479,81 1.08,82 15.192,83 5.158,84 39.692,85 6.755,86 0.441,87 1.089,88 14.42,89 5.448,90 39.963,91 7,92 0.678,93 1.038,94 19.345,95 6.194,96 66.726,97 8.508,98 0.732,99 0.803,100 21.041,101 5.849,102 87.191,103 8.12,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.831,114 -4.01,115 -3.96,116 -3.75,119 40.5,121 1,125 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 7,177 1,178 1,180 2,183 3,185 1,186 2,187 4,192 2,195 3,198 3,199 6,201 3,202 3,204 2,207 2,209 1,211 1,212 6,215 1,217 3,220 1,222 2,224 4,227 1,229 2,232 2,234 2,236 1,237 2,239 1,240 3,241 1,244 1,245 1,250 1,255 1,266 1,275 674,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.702,282 14.573,283 9.039,284 16.104,285 12.821,286 12.821,287 12.821,288 12.821,289 12.821,290 9.901,291 12.629,292 4.272,293 13.611,294 3.392,295 1.038,296 0.453,297 0.216,298 0.216,299 0.216,300 3.884,303 1,304 1,305 1,306 398,307 2.121,310 92.649,311 116.507,314 82.153,318 1.115,319 33.532,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 181,332 4.763,333 3.399,334 7.05,335 4.31,336 3.347,337 4.733,338 0.86,339 12.146,340 3.223,341 4.218,342 3.167,343 6.261,344 3.799,345 2.843,346 3.88,348 9.314,349 2.713,350 3.878,351 2.864,352 5.971,353 3.601,354 2.651,355 3.243,357 8.322,358 2.512,359 3.68,360 2.456,361 5.68,362 3.272,363 2.324,364 3.086,366 7.318,367 2.189,368 3.239,369 2.271,370 5.078,371 2.92,372 1.994,373 2.365,375 5.689,376 1.842,377 2.996,378 1.87,379 4.469,380 2.448,381 1.513,382 2.231,384 4.136,385 1.411,386 2.82,387 1.688,388 4.235,389 2.365,390 1.414,391 1.948,393 3.533,394 1.333,395 2.638,396 1.529,397 4.038,398 2.253,399 1.342,400 1.684,402 3.509,403 1.217,404 2.442,405 1.09,406 3.662,407 1.963,408 1.035,409 1.423,411 2.565,412 0.956,413 1.857,414 0.939,415 3.249,416 1.618,417 0.683,418 0.784,420 1.743,421 0.632,422 1.618,423 0.869,424 3,425 1.538,426 0.618,427 0.618,428 1.372,429 0.563,430 1.371,431 0.579,432 2.736,433 0.989,434 0.103,435 0.124,436 0.227,437 0.089,438 1.057,439 -0.139,440 2.462,441 0.618,442 -0.292,443 -0.371,445 -0.683,446 -0.265,447 0.781,448 -0.286,449 2.375,450 0.353,451 -0.595,452 -0.769,454 -1.604,455 -0.555,456 0.626,457 -0.628,458 2.333,459 0.129,460 -0.795,461 -1.041,463 -2.197,464 -0.727,465 10.452,466 0.454,467 0.61,468 0.027,469 31,470 1.348,471 15,472 0.652,473 16,474 0.696,475 16.527,476 0.719,477 24.948,478 0.674,479 22.565,480 0.981,481 6.148,482 0.267,483 5,484 0.217,485 0.097,487 0.421,491 1,493 0.809,494 1.11,495 0.677,496 1.013,497 0.761,498 0.846,499 0.904,500 1.042,501 0.77,502 0.974,503 0.623,504 0.868,505 0.896,506 1.156,507 0.907,508 1.004,509 0.733,510 0.966,511 0.89,512 0.883,513 0.904,514 0.815,515 0.908,516 0.836,517 0.761,518 0.917,519 1.014,520 0.997,521 0.565,522 1.04,523 0.744,524 1.065,525 1.047,526 1.264,527 0.717,528 1.243,529 0.717,530 0.935,531 1.061,532 1.194,533 0.769,534 1.232,535 1.034,536 0.675,537 1.054,538 0.959,539 1.017,540 1.025,541 4,542 0.02,543 3.111,544 1.819,545 1.647,546 0.796,547 0.551,548 0.398,549 0.172,550 0.087,551 5148,552 16947,553 2.141,554 37.8,556 8,558 1,559 3,562 2,564 1.666,565 2,566 2.981,567 1.118,568 1,569 1,571 1,573 67.234,574 1.817,575 4.171,576 4.757,577 4.993,578 4.993,579 4.993,580 2.426,581 3.882,582 4.495,583 3.09,584 781.869,585 7.783,586 8530.29,587 1,588 1,590 1,591 192.75,592 1.422,593 4.454,594 0.154,595 0.01,596 0.082,597 0.048,598 0.045,599 0.023,600 0.017,601 0.016,602 0.012,603 0.012,604 0.419,605 0.5,606 1,607 0.58,608 104.348,609 -0.102,610 -0.061,611 0.02,612 0.012,613 -0.111,614 0.047,615 -0.091,616 -0.052,617 0.031,618 0.023,620 0.049,621 0.001,622 -0.162,623 0.002,624 -0.041,625 0.119,626 -0.026,627 -0.047,628 0.115,629 0.03,630 0.113,631 -0.073,632 0.102,633 -0.091,634 -0.028,635 -0.173,636 -0.064,637 -0.034,638 -0.114,639 -0.027,640 -0.126,641 -0.207,642 -0.298,643 -0.041,644 -0.302,645 0.159,646 -0.081,647 -0.063,648 -0.241,649 0.075,650 -0.233,651 0.08,652 0.101,653 0.131,654 0.023,655 0.102,656 0.067,657 2.356,658 5.317,659 0.87,660 16.378,661 1.03,662 1.144,663 2.781,664 7.734,665 0.667,666 3.296,667 3.664,668 4.007,669 4.331,670 4.575,671 4.754,672 4.913,673 5.056,674 5.075,675 5.004,676 4.871,677 0.664,678 315.34,679 3.296,680 4.86,681 5.746,682 6.655,683 7.565,684 8.484,685 9.403,686 10.327,687 11.25,688 12.177,689 13.5,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 37,733 16,734 1,735 26,737 40,738 15,739 11,740 3,741 3,746 4,747 5,755 2,758 2,761 11,762 4,777 1,778 1,779 1,781 14,782 7,783 3,784 8,790 5,794 0.75,795 2,801 1,803 1,806 1,811 2,812 2,815 1,839 1,840 3,846 1,848 23,849 1,853 1,854 3,856 1,858 1,869 1,870 5.4,872 1,874 1,877 11.5,878 6.56,879 4.944,880 2.116,881 3.077,882 1.423,883 0.997,884 3.399,885 10.352,886 3.555,887 4.23,888 4.912,889 5.581,890 6.169,891 6.598,892 7.058,893 7.518,894 7.792,895 8.05,896 1,897 38,898 8.513,900 3.817,901 8.022,902 15.802,904 13.349,905 2.522,906 58,910 129.482,911 70.446,912 84.908,914 53.683,915 14.96,917 70.446,918 183.165,919 99.868,921 11.719,922 61.326,923 117.404,924 28.031,925 17.288,926 117.711,928 129.482,929 155.354,930 68.643,933 120.9,934 66.226,935 11,937 26.587,938 78.533,939 50.234,941 144.442,942 138.591,943 70.446,946 129.482,947 33.399,948 38.824,950 151.775,951 129.482,952 153.551,953 70.446,955 0.592,956 0.36,957 0.199,958 0.109,959 21,960 9,961 0.05,962 2,963 1,964 1.1,965 3.435,966 200.199,967 0.1,968 20,969 104.042,974 14.364,975 5.442,976 2.328,977 1.192,978 151.775,979 5.434,980 12.903,984 0.225,985 1.774,986 75.581,987 353.479,988 34,999 38.094,1000 42.326,1001 0.349,1002 0.801,1003 0.913,1004 0.958,1005 0.958,1006 0.958,1007 4.812,1008 1.342,1009 5.753,1010 3.533,1011 4.344,1012 4.916,1013 0.908,1014 6.629,1015 4.234,1016 6.045,1017 1.035,1018 7.352,1019 3.509,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.381,1026 0.683,1027 9.054,1028 2.565,1029 5.994,1030 7.227,1031 0.739,1032 10.82,1033 5.802,1034 8.759,1035 0.618,1036 10.818,1037 1.743,1038 6.509,1039 8.038,1041 12.708,1042 6.278,1043 10.173,1044 0.103,1045 12.62,1046 1.372,1047 7.965,1048 9.89,1049 0.593,1050 15.401,1051 7.7,1052 11.613,1053 -0.292,1054 14.45,1055 0.227,1056 8.854,1057 11.1,1059 17.641,1060 8.551,1061 13.074,1062 -0.595,1063 16.3,1064 -0.683,1065 10.123,1066 12.756,1067 0.469,1068 20.188,1069 9.786,1070 3.347,1071 -0.795,1072 18.166,1073 -1.604,1074 11.177,1075 14.151,1077 22.576,1078 10.804,1079 2.843,1080 12.146,1081 20.044,1082 -2.197,1083 12.383,1084 15.733,1085 0.366,1086 25.08,1087 11.976,1088 2.651,1089 9.314,1090 21.932,1091 4.733,1092 13.512,1093 17.212,1095 27.529,1096 13.069,1097 2.324,1098 8.322,1099 23.828,1100 3.88,1101 14.702,1102 18.768,1103 0.283,1104 30.022,1105 14.225,1106 1.994,1107 7.318,1108 25.732,1109 3.243,1110 15.865,1111 20.285,1113 32.497,1114 15.353,1115 1.513,1116 5.689,1117 27.642,1118 3.086,1119 17.054,1120 21.834,1121 0.217,1122 34.989,1123 16.506,1124 1.414,1125 4.136,1126 29.558,1127 2.365,1128 18.235,1129 23.369,1131 37.476,1132 17.652,1133 4917,1134 9029,1135 17.512,1136 24.682,1137 39.656,1138 40.929,1139 41.079,1140 39.72,1141 39.736,1142 52.237,1143 1.72,1144 119.749,1145 37.361,1146 5.665,1147 5.399,1148 6.646,1149 5.395,1150 5.347,1151 7.733,1152 1.72,1153 19.683,1154 5.223,1155 10.157,1156 1.525,1157 1.574,1158 1.58,1159 1.528,1160 1.528,1161 2.009,1162 0.066,1163 4.606,1164 1.437,1165 4.14,1166 4.186,1167 4.122,1168 3.996,1169 8.201,1170 4.021,1171 3.854,1172 3.88,1173 3.813,1174 3.738,1175 6.465,1176 3.752,1177 3.725,1178 3.771,1179 3.621,1180 3.549,1181 5.254,1182 3.558,1183 3.269,1184 3.351,1185 3.216,1186 3.001,1187 4.876,1188 3.044,1189 3.035,1190 3.123,1191 2.959,1192 2.782,1193 4.615,1194 2.811,1195 2.931,1196 2.978,1197 2.804,1198 2.745,1199 4.562,1200 2.747,1201 2.866,1202 2.961,1203 2.737,1204 2.613,1205 4.345,1206 2.624,1207 2.79,1208 2.867,1209 2.554,1210 2.572,1211 3.704,1212 2.568,1213 0.183,1214 0.131,1215 0.271,1216 0.166,1217 0.129,1218 4.763,1219 0.182,1220 3.399,1221 0.033,1222 7.05,1223 0.467,1224 4.31,1225 0.124,1226 3.347,1227 4.733,1228 0.86,1229 12.146,1230 3.223,1231 1.922,1232 1.903,1233 1.985,1234 2.034,1235 1.241,1236 2.014,1237 1.784,1238 1.74,1239 1.887,1240 1.971,1241 1.107,1242 1.948,1243 1.584,1244 1.527,1245 1.752,1246 1.779,1247 0.862,1248 1.774,1249 1.317,1250 1.264,1251 1.585,1252 1.619,1253 0.78,1254 1.609,1255 1.111,1256 1.062,1257 1.236,1258 1.37,1259 0.251,1260 1.339,1261 0.883,1262 0.839,1263 1.152,1264 1.231,1265 0.142,1266 1.208,1267 0.864,1268 0.769,1269 1.114,1270 1.133,1271 0.084,1272 1.13,1273 0.749,1274 0.662,1275 0.974,1276 1.049,1278 1.034,1279 3.97,1281 5.323,1282 3.045,1283 6.872,1284 5.352,1285 8.515,1286 7.455,1287 10.209,1291 13.317,1293 6.002,1294 9.629,1295 2.044,1297 5.415,1299 0.064,1305 24.554,1306 67.234,1307 154.343,1308 175.995,1309 184.75,1310 184.75,1311 184.75,1312 40.674,1313 7.274,1314 99.08,1315 99.08,1316 22,1317 12.682,1318 4.087,1319 3.17,1320 31.543,1321 66,1322 69,1323 0.24,1324 147.752,1325 246.09,1326 352.276,1327 12138,1328 2.7,1329 15.974,1330 0.695,1331 0.526,1332 15.104,1333 12.108,1334 11.148,1335 0.429,1336 0.277,1337 7.044,1338 10.514,1339 6.975,1340 5.687,1341 10.737,1342 7.202,1343 10.285,1344 0.271,1345 0.143,1346 9.789,1347 5.434,1348 9.187,1349 0.17,1350 0.074,1351 8.525,1352 3.989,1353 7.78,1354 0.104,1355 0.038,1356 7.672,1357 2.827,1358 6.179,1359 0.064,1360 0.018,1361 5.979,1362 1.746,1363 0.357,1364 71.473,1365 0.239,1366 21.849,1367 0.724,1368 128,1369 461.889,1370 146.249,1371 415.57,1372 562.73,1373 388,1374 156,1375 416.293,1376 175.687,1377 411.151,1378 609.98,1379 387,1380 6.18}
{0 CHEMBL1242750,1 1.645,2 8.48,3 3.952,4 15.621,5 94.922,6 7.587,7 0.571,8 3.929,9 4.058,10 3.507,11 3.443,12 5.061,13 3.436,14 4.475,15 4.653,16 3.892,17 3.864,18 5.556,19 3.831,20 4.81,21 5.04,22 4.04,23 4.035,24 5.932,25 3.983,26 4.883,27 5.138,28 3.938,29 4.011,30 5.893,31 3.933,32 4.765,33 5.028,34 3.863,35 3.928,36 5.744,37 3.864,38 4.63,39 4.825,40 3.891,41 3.925,42 5.778,43 3.876,44 4.726,45 4.956,46 3.764,47 3.902,48 5.861,49 3.804,50 4.695,51 4.963,52 3.506,53 3.724,54 5.82,55 3.588,56 0.095,57 0.781,58 9.172,59 3.967,60 13.203,61 5.163,62 0.184,63 1.261,64 17.26,65 6.966,66 22.866,67 9.456,68 0.468,69 1.578,70 27.28,71 9.101,72 69.522,73 13.091,74 0.536,75 1.591,76 30.386,77 9.284,78 62,79 13.659,80 0.467,81 1.382,82 27.116,83 7.543,84 48.178,85 11.837,86 0.362,87 1.383,88 20.959,89 6.87,90 39.667,91 9.935,92 0.483,93 1.391,94 24.843,95 8.292,96 59.563,97 11.999,98 0.54,99 1.244,100 26.276,101 8.303,102 82.719,103 12.151,104 10,105 40,106 0.283,107 0.638,108 0.717,109 0.793,110 0.823,111 0.823,112 3.269,113 0.924,114 -5.49,115 -5.37,116 -5.01,119 40,121 6,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 7,177 1,178 1,180 2,183 8,185 1,186 1,187 7,192 2,195 8,198 2,199 11,201 3,202 3,204 2,207 3,209 1,212 9,215 1,217 3,220 4,222 2,224 6,227 1,229 3,232 8,234 3,237 2,240 2,241 1,242 2,244 1,245 8,247 2,250 2,255 4,258 6,260 2,268 2,271 2,275 832,276 17.052,277 17.052,278 17.052,279 17.052,280 17.052,281 15.116,282 12.029,283 10.039,284 17.382,285 13.821,286 13.821,287 13.821,288 13.821,289 13.821,290 10.901,291 8.729,292 4.772,293 14.416,294 3.847,295 1.786,296 1.328,297 0.889,298 0.711,299 0.711,300 3.967,303 1,304 1,305 1,306 462,307 2.121,310 46.238,311 126.478,312 74.418,314 89.35,318 1.299,319 30.987,321 1,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 55,331 212,332 4.763,333 3.393,334 7.05,335 4.309,336 3.346,337 4.733,339 12.145,340 3.224,341 4.218,342 3.165,343 6.259,344 3.798,345 2.841,346 3.88,348 9.31,349 2.716,350 3.87,351 2.778,352 5.97,353 3.597,354 2.637,355 3.24,357 8.319,358 2.525,359 3.68,360 2.452,361 5.68,362 3.272,363 2.324,364 3.085,366 7.316,367 2.19,368 3.22,369 2.036,370 5.069,371 2.956,372 1.995,373 2.342,375 5.653,376 1.914,377 2.996,378 1.868,379 4.469,380 2.562,381 1.591,382 2.23,384 4.136,385 1.542,386 2.82,387 1.633,388 4.223,389 2.446,390 1.507,391 1.948,393 3.644,394 1.41,395 2.723,396 1.529,397 4.038,398 2.365,399 1.414,400 1.76,402 3.512,403 1.333,404 2.51,405 1.247,406 3.713,407 2.247,408 1.247,409 1.514,411 2.899,412 1.247,413 2.247,414 1.102,415 3.558,416 2.039,417 1.084,418 1.247,420 2.606,421 1.032,422 2.213,423 0.991,424 3.414,425 1.868,426 0.92,427 1.152,428 2.343,429 0.868,430 1.372,431 0.583,432 2.736,433 0.991,434 0.105,435 0.126,436 0.23,437 0.09,438 1.083,439 -0.057,440 2.613,441 0.816,442 -0.153,443 -0.167,445 -0.352,446 -0.147,447 0.863,448 -0.231,449 2.39,450 0.586,451 -0.339,452 -0.417,454 -0.773,455 -0.315,456 0.776,457 -0.305,458 2.374,459 0.555,460 -0.445,461 -0.445,463 -1,464 -0.445,465 11.619,466 0.465,467 0.61,468 0.024,469 31.5,470 1.26,471 15,472 0.6,473 16.5,474 0.66,475 21.813,476 0.873,477 27.381,478 0.608,479 22.372,480 0.895,481 5.651,482 0.226,483 6.497,484 0.26,485 0.088,487 0.379,491 1,493 0.743,494 1.111,495 0.766,496 1.028,497 0.718,498 0.926,499 0.599,500 1.118,501 0.783,502 1.134,503 0.497,504 1.026,505 0.721,506 1.07,507 0.779,508 0.974,509 0.579,510 0.902,511 0.841,512 0.944,513 0.967,514 0.979,515 0.729,516 0.99,517 0.761,518 0.759,519 0.85,520 0.713,521 0.494,522 0.758,523 0.826,524 1.05,525 1.111,526 1.146,527 0.748,528 1.164,529 0.714,530 0.996,531 1.115,532 1.204,533 0.773,534 1.234,535 0.814,536 0.858,537 1.054,538 1.119,539 0.922,540 1.144,541 4,542 0.058,543 3.111,544 2.042,545 1.682,546 0.876,547 0.662,548 0.432,549 0.226,550 0.107,551 6440,552 17311,553 2.13,554 44.4,555 8,556 4,558 1,559 3,561 4,564 1.688,565 2,566 3.089,567 1.005,569 1,573 74.027,574 1.645,575 3.706,576 4.164,577 4.603,578 4.781,579 4.781,580 2.539,581 4.084,582 4.614,583 3.206,584 961.805,585 8.024,586 11161.7,588 1,590 1,591 247.133,592 1.388,593 4.579,594 0.143,595 0.01,596 0.078,597 0.045,598 0.043,599 0.023,600 0.017,601 0.014,602 0.01,603 0.01,604 0.393,605 0.33,606 0.88,607 0.553,608 117.285,609 -0.047,610 -0.011,611 0.031,612 0.051,613 -0.057,614 0.054,615 0.067,616 -0.092,617 0.065,618 -0.089,619 0.086,620 -0.032,621 0.107,622 -0.112,623 0.161,624 0.021,625 0.189,626 0.089,627 -0.007,628 -0.016,629 -0.002,630 -0.039,631 0.004,632 -0.026,633 -0.062,634 0.069,635 0.103,636 0.198,637 0.016,638 0.2,639 -0.055,640 -0.043,641 -0.233,642 -0.18,643 -0.059,644 -0.227,645 0.093,646 -0.061,647 -0.185,648 -0.228,649 0.027,650 -0.26,651 0.124,652 0.013,653 -0.053,654 -0.146,655 0.077,656 -0.144,657 2.333,658 5.424,659 0.88,660 18.931,661 1.009,662 1.141,663 4.262,664 18.162,665 0.656,666 3.367,667 3.714,668 4.043,669 4.357,670 4.644,671 4.828,672 4.956,673 5.118,674 5.17,675 5.176,676 5.227,677 0.632,678 341.43,679 3.367,680 4.92,681 5.796,682 6.696,683 7.597,684 8.51,685 9.423,686 10.343,687 11.263,688 12.186,689 11.1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 45,733 16,734 1,735 28,737 48,738 18,739 11,740 3,741 3,746 4,747 5,755 7,758 7,761 11,762 7,778 1,779 1,781 20,782 6,783 3,784 7,790 5,794 0.75,795 1,803 1,806 1,811 1,812 2,813 1,815 1,840 3,846 1,848 25,849 1,853 1,854 6,858 1,869 1,870 2.2,872 1,877 12.5,878 7.893,879 5.444,880 2.949,881 3.048,882 1.407,883 0.991,884 4.301,885 10.531,886 3.611,887 4.259,888 4.926,889 5.589,890 6.183,891 6.61,892 7.065,893 7.528,894 7.81,895 8.084,896 0.833,897 45,898 9.293,900 4.115,901 7.86,902 17.717,904 15.142,905 2.36,906 59,909 1,910 200.109,911 73.934,912 84.908,914 42.683,915 14.96,917 73.934,918 242.792,919 99.868,921 15.207,922 61.326,923 106.404,924 28.031,925 17.288,926 188.338,928 200.109,929 158.842,930 57.643,933 167.984,934 89.768,937 30.074,938 78.533,939 50.234,941 215.069,942 127.591,943 73.934,946 200.109,947 36.887,948 38.824,950 140.775,951 200.109,952 142.551,953 73.934,955 0.585,956 0.351,957 0.194,958 0.114,959 21,960 9,961 0.042,962 2,963 1,964 1.091,965 3.588,966 222.53,967 0.091,968 22,969 110.096,974 16.283,975 6.604,976 2.954,977 1.343,978 140.775,979 5.612,980 13.251,984 0.43,985 1.939,986 75.581,987 416.594,988 36,999 45.418,1000 51.362,1001 0.3,1002 0.675,1003 0.758,1004 0.838,1005 0.871,1006 0.871,1007 4.86,1008 1.414,1009 5.79,1010 3.644,1011 4.394,1012 4.945,1014 6.65,1015 4.311,1016 6.078,1017 1.247,1018 7.377,1019 3.512,1020 4.007,1021 4.856,1023 7.656,1024 3.858,1025 7.404,1026 1.084,1027 9.071,1028 2.899,1029 6.023,1030 7.236,1032 10.823,1033 5.863,1034 8.774,1035 0.92,1036 10.828,1037 2.606,1038 6.494,1039 8.035,1041 12.706,1042 6.27,1043 10.181,1044 0.105,1045 12.626,1046 2.343,1047 7.975,1048 9.892,1050 15.401,1051 7.737,1052 11.617,1053 -0.153,1054 14.453,1055 0.23,1056 8.842,1057 11.099,1059 17.64,1060 8.55,1061 13.075,1062 -0.339,1063 16.301,1064 -0.352,1065 10.122,1066 12.756,1068 20.188,1069 9.807,1070 3.346,1071 -0.445,1072 18.166,1073 -0.773,1074 11.168,1075 14.15,1077 22.575,1078 10.808,1079 2.841,1080 12.145,1081 20.043,1082 -1,1083 12.378,1084 15.733,1086 25.079,1087 11.989,1088 2.637,1089 9.31,1090 21.931,1091 4.733,1092 13.504,1093 17.211,1095 27.528,1096 13.075,1097 2.324,1098 8.319,1099 23.827,1100 3.88,1101 14.695,1102 18.768,1104 30.021,1105 14.233,1106 1.995,1107 7.316,1108 25.731,1109 3.24,1110 15.858,1111 20.285,1113 32.497,1114 15.358,1115 1.591,1116 5.653,1117 27.641,1118 3.085,1119 17.047,1120 21.834,1122 34.989,1123 16.513,1124 1.507,1125 4.136,1126 29.557,1127 2.342,1128 18.229,1129 23.369,1131 37.475,1132 17.658,1133 6161,1134 10307,1135 18.898,1136 29.512,1137 42.407,1138 42.833,1139 44.028,1140 42.013,1141 42.02,1142 54.514,1144 124.228,1145 40.184,1146 5.689,1147 5.393,1148 6.843,1149 5.384,1150 5.346,1151 7.733,1153 19.681,1154 5.224,1155 10.804,1156 1.515,1157 1.53,1158 1.572,1159 1.5,1160 1.501,1161 1.947,1163 4.437,1164 1.435,1165 4.142,1166 4.189,1167 4.122,1168 4.001,1169 8.201,1170 4.024,1171 3.862,1172 3.898,1173 3.812,1174 3.761,1175 6.465,1176 3.763,1177 3.792,1178 3.842,1179 3.669,1180 3.667,1181 5.254,1182 3.665,1183 3.378,1184 3.464,1185 3.286,1186 3.164,1187 4.867,1188 3.171,1189 3.278,1190 3.364,1191 3.062,1192 3.125,1193 4.572,1194 3.097,1195 3.153,1196 3.217,1197 3.057,1198 2.968,1199 4.39,1200 2.991,1201 2.993,1202 3.108,1203 2.851,1204 2.746,1205 4.189,1206 2.749,1207 2.93,1208 2.97,1209 2.803,1210 2.68,1211 3.712,1212 2.716,1213 0.17,1214 0.121,1215 0.252,1216 0.154,1217 0.12,1218 4.763,1219 0.169,1220 3.393,1222 7.05,1223 0.434,1224 4.309,1225 0.115,1226 3.346,1227 4.733,1229 12.145,1230 3.224,1231 1.923,1232 1.903,1233 1.989,1234 2.041,1235 1.356,1236 2.021,1237 1.814,1238 1.765,1239 1.975,1240 1.99,1241 1.336,1242 1.981,1243 1.712,1244 1.647,1245 1.971,1246 1.873,1247 1.108,1248 1.912,1249 1.665,1250 1.616,1251 1.779,1252 1.838,1253 0.85,1254 1.834,1255 1.192,1256 1.131,1257 1.325,1258 1.472,1259 0.535,1260 1.434,1261 0.93,1262 0.858,1263 1.253,1264 1.231,1265 0.528,1266 1.21,1267 0.883,1268 0.838,1269 1.165,1270 1.153,1271 0.224,1272 1.153,1273 0.819,1274 0.708,1275 1.151,1276 1.12,1277 0.13,1278 1.147,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.949,1285 8.543,1286 7.195,1287 10.227,1291 13.424,1293 6.095,1294 9.723,1295 6.916,1299 0.266,1305 28.42,1306 74.027,1307 166.763,1308 187.359,1309 207.133,1310 215.133,1311 215.133,1312 46.338,1313 7.484,1314 89.85,1315 89.85,1316 24,1317 12.694,1318 4.087,1319 3.17,1320 35.569,1321 78,1322 79,1323 0.23,1324 172.533,1325 289.2,1326 412.741,1327 16327,1328 2.2,1329 17.389,1330 0.696,1331 0.553,1332 16.518,1333 13.821,1334 12.148,1335 0.434,1336 0.308,1337 8.506,1338 11.655,1339 8.398,1340 6.93,1341 11.737,1342 8.625,1343 10.992,1344 0.275,1345 0.164,1346 10.496,1347 6.562,1348 9.687,1349 0.173,1350 0.088,1351 9.025,1352 4.908,1353 8.134,1354 0.106,1355 0.047,1356 8.025,1357 3.614,1358 6.917,1359 0.067,1360 0.026,1361 6.717,1362 2.649,1363 0.345,1364 76.473,1365 0.23,1366 23.572,1367 0.687,1368 136,1369 426.153,1370 151.371,1371 390.731,1372 534.81,1373 364,1374 164,1375 404.657,1376 180.642,1377 401.339,1378 594.22,1379 379,1380 6.613}
{0 CHEMBL1242751,1 1.623,2 7.304,3 2.393,4 5.728,5 89.489,6 7.462,7 0.64,8 3.853,9 3.979,10 3.423,11 3.302,12 5.013,13 3.31,14 4.363,15 4.551,16 3.776,17 3.653,18 5.431,19 3.658,20 4.478,21 4.654,22 3.923,23 3.795,24 5.6,25 3.799,26 4.639,27 4.832,28 3.974,29 3.894,30 5.777,31 3.876,32 4.704,33 4.899,34 3.849,35 3.926,36 5.744,37 3.871,38 4.691,39 4.904,40 3.804,41 3.884,42 5.763,43 3.803,44 4.759,45 5.032,46 3.559,47 3.747,48 5.754,49 3.633,50 4.553,51 4.832,52 3.045,53 3.475,54 5.441,55 3.315,56 0.074,57 0.645,58 8.791,59 3.433,60 10,61 4.65,62 0.319,63 0.962,64 16.998,65 5.361,66 24.612,67 7.485,68 0.32,69 1.127,70 18.242,71 5.679,72 20.306,73 8.302,74 0.42,75 1.263,76 22.096,77 7.015,78 34.779,79 9.987,80 0.487,81 1.282,82 24.017,83 7.392,84 34.057,85 10.604,86 0.393,87 1.256,88 23.503,89 7.712,90 35.834,91 11.609,92 0.587,93 1.155,94 28.145,95 7.425,96 56.39,97 11.769,98 0.491,99 0.855,100 23.705,101 6.407,102 44.723,103 9.631,104 35,105 36,106 0.285,107 0.642,108 0.763,109 0.791,110 0.8,111 0.825,112 3.19,113 0.874,114 -4.13,115 -4.08,116 -3.86,119 38.1,120 2,124 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 9,177 1,178 1,180 1,183 4,185 1,186 2,187 8,195 2,198 3,199 9,201 3,202 3,204 1,207 3,209 1,211 2,212 5,217 1,220 3,222 1,223 3,224 5,226 1,227 1,229 3,232 2,234 3,236 2,237 4,239 1,240 1,242 1,245 2,247 1,250 2,258 2,275 681,276 15.569,277 15.569,278 15.569,279 15.569,280 15.569,281 13.71,282 16.719,283 8.922,284 16.167,285 12.176,286 12.176,287 12.176,288 12.176,289 12.176,290 9.207,291 15.44,292 3.956,293 12.946,294 3.77,295 1.735,296 1.042,297 0.881,298 0.834,299 0.691,300 3.865,303 1,304 1,305 1,306 351,307 3,310 42.861,311 120.05,314 82.4,318 1.013,319 20.443,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.5,331 168,332 4.777,333 3.435,334 7.082,335 4.328,336 3.364,337 4.742,338 0.86,339 12.254,340 3.244,341 4.342,342 3.202,343 6.562,344 3.922,345 2.972,346 4.017,347 0.86,348 10.317,349 2.818,350 3.803,351 2.662,352 6.016,353 3.469,354 2.519,355 3.204,357 8.271,358 2.39,359 3.568,360 2.419,361 5.569,362 3.164,363 2.222,364 2.934,366 7.003,367 2.086,368 3.029,369 2.045,370 4.822,371 2.683,372 1.743,373 2.225,375 4.819,376 1.635,377 2.982,378 1.815,379 4.644,380 2.5,381 1.587,382 2.126,384 4.393,385 1.446,386 2.917,387 1.572,388 4.056,389 2.451,390 1.487,391 2.086,393 3.421,394 1.427,395 2.555,396 1.255,397 3.852,398 2.055,399 1.133,400 1.577,402 2.794,403 1.041,404 2.153,405 0.987,406 3.506,407 1.835,408 0.883,409 1.079,411 2.138,412 0.836,413 1.887,414 0.914,415 3.14,416 1.552,417 0.649,418 0.787,420 1.277,421 0.582,422 1.455,423 0.814,424 2.591,425 1.177,426 0.323,427 0.355,428 0.429,429 0.274,430 1.061,431 -0.003,432 2.49,433 0.635,434 -0.281,435 -0.354,436 -0.645,437 -0.257,438 0.853,439 -0.166,440 2.411,441 0.442,442 -0.495,443 -0.611,445 -0.987,446 -0.453,447 0.667,448 -0.452,449 2.262,450 0.277,451 -0.646,452 -0.82,454 -1.393,455 -0.593,456 0.584,457 -0.781,458 2.232,459 0.082,460 -0.85,461 -1,463 -2,464 -0.788,465 10.667,466 0.464,467 0.593,468 0.026,469 31,470 1.348,471 15.5,472 0.674,473 15.5,474 0.674,475 18.154,476 0.789,477 25.333,478 0.603,479 22.915,480 0.996,481 6.217,482 0.27,483 4.862,484 0.211,485 0.225,487 0.413,493 0.907,494 1.422,495 0.783,496 1.221,497 1.047,498 1.012,499 1.234,500 0.961,501 0.729,502 0.736,503 0.898,504 0.665,505 0.981,506 1.259,507 0.799,508 0.975,509 0.784,510 0.856,511 1.016,512 1.041,513 0.917,514 1.009,515 0.916,516 0.953,517 1.319,518 1.13,519 1.238,520 1.103,521 1.208,522 1.15,523 0.681,524 1.334,525 1.072,526 1.345,527 0.896,528 1.288,529 1.032,530 0.9,531 1.118,532 0.976,533 1.209,534 1.037,535 1.48,536 0.805,537 1.314,538 0.962,539 1.376,540 1.095,541 4,543 3.111,544 2.417,545 1.887,546 1.087,547 0.678,548 0.405,549 0.143,550 0.016,551 4456,552 12227,553 2.016,554 45.2,556 10,558 1,559 2,561 6,564 1.669,565 1.84,566 2.886,567 0.364,568 1,569 1,571 1,573 68.157,574 1.623,575 3.658,576 4.35,577 4.511,578 4.559,579 4.701,580 2.212,581 4.35,582 4.497,583 2.988,584 755.865,585 7.801,586 8308.38,587 1,588 1,590 1,591 226.477,592 1.538,593 4.428,594 0.16,596 0.086,597 0.059,598 0.045,599 0.03,600 0.021,601 0.017,602 0.011,603 0.005,604 0.434,605 0.33,606 1,607 1.059,608 103.719,609 -0.018,610 -0.176,611 0.065,612 -0.126,613 -0.141,614 -0.03,615 -0.064,616 0.123,617 0.229,618 0.268,619 0.05,620 0.289,621 0.037,622 -0.101,623 0.12,624 0.03,625 0.101,626 0.09,627 0.036,628 0.076,629 0.022,630 -0.024,631 0.107,632 -0.011,633 -0.199,634 -0.052,635 -0.294,636 -0.111,637 -0.246,638 -0.205,639 0.14,640 -0.276,641 -0.151,642 -0.337,643 0.061,644 -0.305,645 -0.021,646 0.024,647 -0.104,648 -0.063,649 -0.045,650 -0.086,651 -0.29,652 0.032,653 -0.27,654 -0.036,655 -0.251,656 -0.132,657 1.276,658 2.093,659 0.652,660 15.051,661 1.008,662 1.138,663 2.905,664 8.439,665 0.649,666 3.258,667 3.611,668 3.97,669 4.304,670 4.543,671 4.673,672 4.779,673 4.836,674 4.754,675 4.691,676 4.683,677 0.624,678 313.4,679 3.258,680 4.812,681 5.7,682 6.616,683 7.53,684 8.455,685 9.377,686 10.306,687 11.232,688 12.162,689 11.9,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 42,733 16,734 1,735 25,737 44,738 16,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 5,777 1,778 1,781 19,782 6,783 2,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 4,848 23,849 1,856 2,858 1,870 4.8,875 2,877 12.5,878 8.883,879 5.222,880 2.371,881 3.22,882 1.457,883 0.961,884 4.199,885 10.273,886 3.526,887 4.201,888 4.915,889 5.6,890 6.176,891 6.588,892 7.029,893 7.441,894 7.676,895 7.97,896 0.8,897 41,898 8.43,900 3.488,901 7.717,902 15.953,904 12.618,905 2.217,906 51,909 1,910 200.109,911 99.509,912 84.908,914 22,917 99.509,918 222.109,919 84.908,920 39.417,922 61.326,923 63.72,924 51.397,925 2.328,926 188.338,928 200.109,929 184.417,930 22,933 129.482,934 92.626,937 32.518,938 101.665,939 50.234,941 200.109,942 106.908,943 99.509,946 200.109,947 23.045,948 78.24,950 105.131,951 200.109,952 106.908,953 99.509,955 0.58,956 0.37,957 0.219,958 0.121,959 18,960 9,961 0.091,962 4,963 1,964 1.133,965 3.26,966 195.368,967 0.133,968 15,969 102.042,974 15.716,975 6.144,976 2.539,977 1.417,978 105.131,979 7.089,980 13.153,984 3.1,985 1.835,986 32.897,987 406.526,988 33,999 42.349,1000 47.817,1001 0.301,1002 0.678,1003 0.807,1004 0.837,1005 0.845,1006 0.872,1007 4.771,1008 1.133,1009 5.714,1010 3.421,1011 4.29,1012 4.887,1013 1.376,1014 6.619,1015 4.182,1016 6.014,1017 0.883,1018 7.334,1019 2.794,1020 4.007,1021 4.856,1023 7.732,1024 3.871,1025 7.358,1026 0.649,1027 9.058,1028 2.138,1029 5.964,1030 7.228,1031 1.159,1032 10.894,1033 5.771,1034 8.747,1035 0.323,1036 10.844,1037 1.277,1038 6.524,1039 8.065,1041 12.837,1042 6.299,1043 10.173,1044 -0.281,1045 12.668,1046 0.429,1047 7.972,1048 9.918,1049 0.963,1050 15.535,1051 7.706,1052 11.626,1053 -0.495,1054 14.518,1055 -0.645,1056 8.897,1057 11.146,1059 17.801,1060 8.596,1061 13.099,1062 -0.646,1063 16.386,1064 -0.987,1065 10.167,1066 12.802,1067 0.787,1068 20.353,1069 9.831,1070 3.364,1071 -0.85,1072 18.268,1073 -1.393,1074 11.247,1075 14.207,1077 22.751,1078 10.875,1079 2.972,1080 12.254,1081 20.161,1082 -2,1083 12.458,1084 15.788,1085 0.634,1086 25.257,1087 12.052,1088 2.519,1089 10.317,1090 22.062,1091 4.742,1092 13.603,1093 17.271,1095 27.709,1096 13.161,1097 2.222,1098 8.271,1099 23.971,1100 4.017,1101 14.798,1102 18.827,1103 0.504,1104 30.204,1105 14.323,1106 1.743,1107 7.003,1108 25.885,1109 3.204,1110 15.972,1111 20.345,1113 32.681,1114 15.462,1115 1.587,1116 4.819,1117 27.804,1118 2.934,1119 17.165,1120 21.893,1121 0.395,1122 35.174,1123 16.622,1124 1.487,1125 4.393,1126 29.726,1127 2.225,1128 18.353,1129 23.428,1131 37.663,1132 17.775,1133 4522,1134 7616,1135 16.126,1136 27.267,1137 37.895,1138 38.509,1139 40.896,1140 37.682,1141 37.766,1142 50.264,1143 3.44,1144 114.232,1145 35.556,1146 5.473,1147 5.435,1148 6.673,1149 5.401,1150 5.364,1151 7.742,1152 1.72,1153 19.941,1154 5.244,1155 13.055,1156 1.516,1157 1.54,1158 1.636,1159 1.507,1160 1.511,1161 2.011,1162 0.138,1163 4.569,1164 1.422,1165 4.134,1166 4.18,1167 4.118,1168 3.994,1169 5.258,1170 4.018,1171 3.854,1172 3.875,1173 3.81,1174 3.734,1175 4.944,1176 3.75,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.827,1182 3.399,1183 3.275,1184 3.34,1185 3.153,1186 3.02,1187 4.518,1188 3.046,1189 3.249,1190 3.314,1191 3.066,1192 2.98,1193 4.478,1194 2.989,1195 3.163,1196 3.253,1197 2.996,1198 2.89,1199 4.3,1200 2.901,1201 2.997,1202 3.107,1203 2.871,1204 2.687,1205 4.064,1206 2.724,1207 2.874,1208 3.009,1209 2.566,1210 2.618,1211 3.699,1212 2.57,1213 0.191,1214 0.137,1215 0.283,1216 0.173,1217 0.135,1218 4.777,1219 0.19,1220 3.435,1221 0.034,1222 7.082,1223 0.49,1224 4.328,1225 0.13,1226 3.364,1227 4.742,1228 0.86,1229 12.254,1230 3.244,1231 1.925,1232 1.909,1233 1.992,1234 2.04,1235 1.154,1236 2.021,1237 1.796,1238 1.749,1239 1.945,1240 1.99,1241 1.115,1242 1.973,1243 1.612,1244 1.548,1245 1.776,1246 1.815,1247 0.836,1248 1.814,1249 1.216,1250 1.152,1251 1.575,1252 1.527,1253 0.574,1254 1.541,1255 1.198,1256 1.127,1257 1.569,1258 1.509,1259 0.573,1260 1.528,1261 1.109,1262 1.03,1263 1.417,1264 1.389,1265 0.469,1266 1.368,1267 0.934,1268 0.804,1269 1.266,1270 1.239,1271 0.288,1272 1.308,1273 0.869,1274 0.773,1275 1.152,1276 1.213,1277 0.063,1278 1.204,1279 3.932,1281 5.273,1282 2.398,1283 6.832,1284 4.844,1285 8.494,1286 7.081,1287 10.208,1289 7.279,1293 6.093,1297 10.897,1299 0.136,1305 26.224,1306 68.157,1307 153.617,1308 182.703,1309 189.458,1310 191.458,1311 197.458,1312 33.932,1313 7.053,1314 88.08,1315 88.08,1316 17,1317 12.665,1318 4.087,1319 3.17,1320 36.354,1321 63,1322 65,1323 0.291,1324 163.54,1325 269.68,1326 390.797,1327 9092,1329 16.56,1330 0.72,1331 0.59,1332 16.56,1333 13.569,1334 11.079,1335 0.443,1336 0.291,1337 7.119,1338 10.453,1339 6.822,1340 5.763,1341 11.079,1342 7.281,1343 9.792,1344 0.272,1345 0.15,1346 9.792,1347 5.386,1348 8.607,1349 0.166,1350 0.07,1351 8.607,1352 3.665,1353 7.662,1354 0.105,1355 0.036,1356 7.662,1357 2.618,1358 6.184,1359 0.066,1360 0.019,1361 6.184,1362 1.764,1363 0.429,1364 70.847,1365 0.249,1366 21.607,1367 0.898,1368 122,1369 381.364,1370 137.193,1371 362.906,1372 507.41,1373 342,1374 149,1375 388.384,1376 166.053,1377 392.953,1378 578.93,1379 366,1380 4}
{0 CHEMBL1242752,1 1.596,2 8.125,3 2.742,4 7.519,5 94.237,6 7.276,7 0.615,8 3.912,9 4.041,10 3.46,11 3.364,12 5.04,13 3.364,14 4.433,15 4.625,16 3.813,17 3.712,18 5.487,19 3.706,20 4.577,21 4.77,22 3.926,23 3.838,24 5.661,25 3.829,26 4.659,27 4.859,28 3.944,29 3.927,30 5.756,31 3.891,32 4.726,33 4.934,34 3.815,35 3.957,36 5.726,37 3.881,38 4.711,39 4.928,40 3.758,41 3.912,42 5.721,43 3.817,44 4.754,45 5.022,46 3.56,47 3.797,48 5.716,49 3.661,50 4.623,51 4.926,52 3.359,53 3.543,54 5.467,55 3.407,56 0.063,57 0.683,58 9.739,59 3.759,60 10.429,61 5.187,62 0.284,63 1.02,64 18.504,65 5.902,66 25.594,67 8.403,68 0.398,69 1.18,70 21.477,71 6.275,72 29.063,73 9.334,74 0.358,75 1.301,76 22.956,77 7.343,78 34.674,79 10.691,80 0.39,81 1.313,82 24.985,83 7.88,84 35.198,85 11.625,86 0.33,87 1.266,88 24.591,89 8.197,90 33.731,91 12.223,92 0.493,93 1.177,94 27.378,95 8.082,96 50.784,97 12.714,98 0.475,99 0.912,100 25.522,101 7.2,102 41.603,103 11.322,104 36,105 37,106 0.276,107 0.627,108 0.773,109 0.831,110 0.831,111 0.831,112 3.23,113 0.907,114 -4.38,115 -4.31,116 -4.07,119 37.8,120 3,124 1,125 1,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 10,177 1,178 1,180 1,183 4,185 1,186 2,187 9,195 3,198 2,199 9,201 3,202 3,204 1,207 4,209 1,211 1,212 7,217 2,220 4,222 2,223 2,224 5,229 3,232 5,234 3,236 3,237 1,239 1,240 1,245 3,249 2,250 3,252 1,253 1,263 4,268 1,273 1,275 784,276 16.223,277 16.223,278 16.223,279 16.223,280 16.223,281 14.392,282 17.798,283 9.469,284 16.867,285 12.714,286 12.714,287 12.714,288 12.714,289 12.714,290 9.782,291 16.603,292 4.261,293 13.566,294 3.896,295 1.869,296 1.023,297 0.689,298 0.689,299 0.689,300 3.907,303 1,304 1,305 1,306 407,307 3.162,310 48.358,311 130.629,314 92.167,318 1.219,319 20.787,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 195,332 4.76,333 3.383,334 7.039,335 4.302,336 3.339,337 4.732,338 0.86,339 12.088,340 3.218,341 4.264,342 3.19,343 6.242,344 3.844,345 2.896,346 3.917,347 0.86,348 9.336,349 2.745,350 3.823,351 2.685,352 6.064,353 3.499,354 2.549,355 3.219,357 8.538,358 2.416,359 3.705,360 2.448,361 5.71,362 3.306,363 2.355,364 3.112,366 7.441,367 2.233,368 3.033,369 2.267,370 4.82,371 2.684,372 1.743,373 2.258,375 4.818,376 1.636,377 2.989,378 1.823,379 4.521,380 2.582,381 1.683,382 2.128,384 4.394,385 1.507,386 2.947,387 1.584,388 4.365,389 2.464,390 1.526,391 2.082,393 4.071,394 1.426,395 2.532,396 1.309,397 3.862,398 2.018,399 1.078,400 1.545,402 2.766,403 1.01,404 2.175,405 1.135,406 3.493,407 1.939,408 1,409 1.136,411 2.067,412 0.929,413 2.126,414 0.975,415 3.205,416 1.793,417 0.834,418 1.041,420 1.808,421 0.796,422 1.712,423 0.818,424 2.869,425 1.425,426 0.541,427 0.619,428 0.891,429 0.473,430 1.062,431 0.165,432 2.57,433 0.694,434 -0.218,435 -0.246,436 -0.347,437 -0.197,438 0.971,439 -0.147,440 2.422,441 0.624,442 -0.291,443 -0.366,445 -0.667,446 -0.265,447 0.792,448 -0.369,449 2.262,450 0.405,451 -0.546,452 -0.685,454 -1.175,455 -0.516,456 0.588,457 -0.754,458 2.228,459 0.092,460 -0.838,461 -1,463 -2,464 -0.774,465 11.167,466 0.465,467 0.61,468 0.025,469 31.5,470 1.313,471 15.5,472 0.646,473 16,474 0.667,475 19.782,476 0.824,477 26.633,478 0.592,479 23.033,480 0.96,481 6.144,482 0.256,483 5.418,484 0.226,485 0.215,487 0.394,493 0.9,494 1.427,495 0.807,496 1.235,497 1.064,498 1.036,499 1.184,500 1.033,501 0.745,502 0.843,503 0.83,504 0.745,505 1.213,506 1.136,507 0.857,508 0.857,509 0.914,510 0.799,511 0.995,512 1.062,513 0.964,514 1.027,515 0.977,516 0.991,517 1.192,518 1.124,519 1.207,520 1.114,521 1.101,522 1.152,523 0.851,524 1.281,525 1.11,526 1.289,527 1.02,528 1.253,529 0.725,530 1.003,531 1.073,532 1.125,533 1.174,534 1.145,535 0.821,536 0.768,537 0.783,538 0.819,539 0.675,540 0.802,541 4.5,542 0.025,543 3.111,544 2.167,545 1.967,546 1.035,547 0.606,548 0.458,549 0.321,550 0.131,551 5295,552 13968,553 2.015,554 46.7,556 9,558 1,559 2,561 9,564 1.677,565 1.846,566 3.049,567 0.337,568 1,569 1,571 1,573 71.798,574 1.596,575 3.623,576 4.469,577 4.803,578 4.803,579 4.803,580 2.44,581 4.502,582 4.555,583 3.184,584 878.857,585 7.903,586 10021,588 1,590 1,591 247.133,592 1.528,593 4.493,594 0.173,595 0.004,596 0.084,597 0.053,598 0.048,599 0.03,600 0.019,601 0.019,602 0.016,603 0.009,604 0.455,605 0.17,606 1,607 1.229,608 111.348,609 -0.005,610 -0.167,611 0.066,612 -0.12,613 -0.146,614 -0.029,615 -0.018,616 0.057,617 0.221,618 0.172,619 0.12,620 0.222,621 -0.026,622 -0.029,623 0.114,624 0.133,625 0.068,626 0.148,627 -0.014,628 0.074,629 -0.023,630 -0.028,631 0.031,632 -0.031,633 -0.197,634 -0.039,635 -0.264,636 -0.105,637 -0.186,638 -0.182,639 0.002,640 -0.235,641 -0.178,642 -0.261,643 -0.048,644 -0.255,645 0.133,646 -0.051,647 -0.097,648 -0.17,649 -0.09,650 -0.168,651 0.186,652 0.039,653 0.25,654 0.115,655 0.241,656 0.184,657 1.254,658 2.165,659 0.625,660 18.25,661 1.005,662 1.138,663 3.148,664 9.911,665 0.645,666 3.296,667 3.638,668 3.97,669 4.29,670 4.543,671 4.682,672 4.771,673 4.89,674 4.92,675 4.875,676 5.184,677 0.617,678 327.43,679 3.296,680 4.844,681 5.72,682 6.627,683 7.531,684 8.448,685 9.362,686 10.283,687 11.201,688 12.125,689 11.1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 45,733 16,734 1,735 26,737 47,738 17,739 11,740 3,741 3,746 3,747 4,752 3,758 1,761 11,762 6,777 1,778 1,781 21,782 6,783 2,784 7,790 5,794 0.667,795 2,803 1,806 1,811 1,812 2,815 1,840 2,844 4,848 24,849 1,854 1,856 2,858 1,870 4.4,875 2,877 13,878 9.383,879 5.444,880 2.78,881 3.17,882 1.444,883 0.957,884 4.693,885 10.307,886 3.555,887 4.216,888 4.912,889 5.589,890 6.172,891 6.588,892 7.027,893 7.48,894 7.764,895 8.046,896 1,897 41,898 8.811,900 3.629,901 7.688,902 16.77,904 13.249,905 2.188,906 52.5,909 1,910 223.651,911 102.044,912 84.908,914 22,917 102.044,918 245.651,919 84.908,920 37.359,921 4.592,922 61.326,923 63.72,924 51.397,925 2.328,926 211.88,928 223.651,929 186.952,930 22,933 117.711,934 127.94,937 45.935,938 90.782,939 50.234,941 223.651,942 106.908,943 102.044,946 223.651,947 27.638,948 76.183,950 105.131,951 223.651,952 106.908,953 102.044,955 0.576,956 0.355,957 0.207,958 0.118,959 18,960 9,961 0.106,962 5,963 1,964 1.133,965 3.407,966 202.529,967 0.133,968 15,969 106.039,974 16.681,975 6.753,976 2.982,977 1.472,978 105.131,979 7.156,980 13.186,984 3.374,985 1.854,986 32.897,987 432.602,988 34,999 45.232,1000 51.232,1001 0.291,1002 0.66,1003 0.814,1004 0.874,1005 0.874,1006 0.874,1007 4.796,1008 1.078,1009 5.727,1010 4.071,1011 4.317,1012 4.902,1013 1.376,1014 6.608,1015 4.206,1016 6.031,1017 1,1018 7.331,1019 2.766,1020 4.007,1021 4.856,1023 7.667,1024 3.871,1025 7.367,1026 0.834,1027 9.039,1028 2.067,1029 5.969,1030 7.226,1031 1.159,1032 10.813,1033 5.771,1034 8.748,1035 0.541,1036 10.808,1037 1.808,1038 6.494,1039 8.043,1041 12.71,1042 6.269,1043 10.165,1044 -0.218,1045 12.614,1046 0.891,1047 7.946,1048 9.897,1049 0.963,1050 15.392,1051 7.676,1052 11.609,1053 -0.291,1054 14.447,1055 -0.347,1056 8.84,1057 11.11,1059 17.63,1060 8.538,1061 13.073,1062 -0.546,1063 16.299,1064 -0.667,1065 10.107,1066 12.766,1067 0.787,1068 20.167,1069 9.768,1070 3.339,1071 -0.838,1072 18.165,1073 -1.175,1074 11.164,1075 14.161,1077 22.55,1078 10.791,1079 2.896,1080 12.088,1081 20.043,1082 -2,1083 12.369,1084 15.742,1085 0.634,1086 25.044,1087 11.961,1088 2.549,1089 9.336,1090 21.931,1091 4.732,1092 13.499,1093 17.22,1095 27.487,1096 13.056,1097 2.355,1098 8.538,1099 23.826,1100 3.917,1101 14.686,1102 18.776,1103 0.504,1104 29.973,1105 14.21,1106 1.743,1107 7.441,1108 25.729,1109 3.219,1110 15.849,1111 20.292,1113 32.442,1114 15.338,1115 1.683,1116 4.818,1117 27.637,1118 3.112,1119 17.035,1120 21.84,1121 0.395,1122 34.928,1123 16.49,1124 1.526,1125 4.394,1126 29.55,1127 2.258,1128 18.214,1129 23.374,1131 37.408,1132 17.635,1133 5353,1134 8830,1135 16.819,1136 29.029,1137 39.365,1138 39.653,1139 41.764,1140 39.066,1141 39.086,1142 51.579,1143 3.44,1144 116.436,1145 36.78,1146 5.491,1147 5.383,1148 6.803,1149 5.375,1150 5.339,1151 7.732,1152 1.72,1153 19.555,1154 5.218,1155 13.73,1156 1.514,1157 1.525,1158 1.606,1159 1.503,1160 1.503,1161 1.984,1162 0.132,1163 4.478,1164 1.415,1165 4.134,1166 4.18,1167 4.117,1168 3.994,1169 5.257,1170 4.017,1171 3.86,1172 3.88,1173 3.816,1174 3.737,1175 4.937,1176 3.754,1177 3.577,1178 3.655,1179 3.445,1180 3.407,1181 4.833,1182 3.4,1183 3.464,1184 3.535,1185 3.281,1186 3.259,1187 4.518,1188 3.25,1189 3.286,1190 3.349,1191 3.161,1192 3.033,1193 4.473,1194 3.059,1195 3.132,1196 3.229,1197 2.966,1198 2.859,1199 4.262,1200 2.871,1201 2.991,1202 3.1,1203 2.861,1204 2.714,1205 4.036,1206 2.719,1207 2.874,1208 3.009,1209 2.707,1210 2.682,1211 3.722,1212 2.705,1213 0.183,1214 0.13,1215 0.271,1216 0.165,1217 0.128,1218 4.76,1219 0.182,1220 3.383,1221 0.033,1222 7.039,1223 0.465,1224 4.302,1225 0.124,1226 3.339,1227 4.732,1228 0.86,1229 12.088,1230 3.218,1231 1.927,1232 1.91,1233 1.996,1234 2.04,1235 1.155,1236 2.022,1237 1.796,1238 1.75,1239 1.945,1240 1.992,1241 1.118,1242 1.975,1243 1.614,1244 1.551,1245 1.802,1246 1.823,1247 0.935,1248 1.82,1249 1.456,1250 1.382,1251 1.757,1252 1.693,1253 0.828,1254 1.723,1255 1.227,1256 1.166,1257 1.569,1258 1.525,1259 0.573,1260 1.537,1261 1.071,1262 0.987,1263 1.417,1264 1.373,1265 0.469,1266 1.352,1267 0.934,1268 0.804,1269 1.244,1270 1.239,1271 0.256,1272 1.308,1273 0.863,1274 0.801,1275 1.146,1276 1.196,1277 0.178,1278 1.184,1279 3.97,1281 5.303,1282 2.398,1283 6.847,1284 4.844,1285 8.491,1286 7.081,1287 10.19,1289 7.648,1293 6.1,1295 0.548,1297 11.008,1299 0.153,1305 27.751,1306 71.798,1307 163.02,1308 201.094,1309 216.114,1310 216.114,1311 216.114,1312 35.76,1313 7.137,1314 88.08,1315 88.08,1316 17,1317 12.632,1318 4.087,1319 3.17,1320 38.943,1321 73,1322 78,1323 0.268,1324 173.132,1325 286.98,1326 414.203,1327 10184,1329 17.267,1330 0.719,1331 0.595,1332 17.267,1333 14.277,1334 11.562,1335 0.445,1336 0.302,1337 7.709,1338 10.937,1339 7.41,1340 6.236,1341 11.562,1342 7.863,1343 10.247,1344 0.277,1345 0.153,1346 10.247,1347 5.643,1348 8.763,1349 0.169,1350 0.072,1351 8.763,1352 3.744,1353 7.655,1354 0.106,1355 0.037,1356 7.655,1357 2.65,1358 6.243,1359 0.067,1360 0.019,1361 6.243,1362 1.794,1363 0.402,1364 73.539,1365 0.244,1366 22.741,1367 0.792,1368 126,1369 385.364,1370 141.858,1371 366.659,1372 514.29,1373 346,1374 152,1375 396.293,1376 169.053,1377 397.613,1378 586.69,1379 373,1380 6.364}
{0 CHEMBL1242753,1 1.68,2 8.625,3 1.476,4 2.18,5 91.364,6 7.66,7 0.615,8 3.887,9 4.006,10 3.466,11 3.311,12 5.071,13 3.333,14 4.389,15 4.564,16 3.796,17 3.654,18 5.513,19 3.667,20 4.522,21 4.706,22 3.905,23 3.766,24 5.659,25 3.774,26 4.553,27 4.724,28 3.931,29 3.842,30 5.742,31 3.83,32 4.672,33 4.87,34 3.828,35 3.876,36 5.763,37 3.825,38 4.668,39 4.886,40 3.739,41 3.819,42 5.722,43 3.747,44 4.66,45 4.911,46 3.629,47 3.68,48 5.776,49 3.588,50 4.528,51 4.794,52 3.376,53 3.436,54 5.544,55 3.356,56 0.129,57 0.652,58 8.821,59 3.471,60 13.584,61 4.547,62 0.398,63 0.96,64 17.03,65 5.38,66 32.158,67 7.288,68 0.54,69 1.089,70 19.812,71 5.853,72 36.324,73 8.354,74 0.425,75 1.186,76 19.015,77 6.468,78 34.252,79 8.921,80 0.511,81 1.21,82 22.915,83 7.247,84 39.194,85 10.393,86 0.464,87 1.156,88 23.339,89 7.37,90 38.933,91 10.876,92 0.615,93 1.021,94 24.897,95 7.317,96 61.84,97 11.239,98 0.639,99 0.811,100 23.329,101 5.854,102 56.593,103 8.97,104 30,105 36,106 0.293,107 0.68,108 0.833,109 0.876,110 0.876,111 0.876,112 3.23,113 0.875,114 -3.39,115 -3.37,116 -3.22,119 37.2,120 1,124 1,125 3,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 8,177 1,178 1,180 1,183 3,185 1,186 2,187 7,190 1,195 3,198 2,199 7,201 3,202 4,204 1,207 2,209 1,211 1,212 7,215 1,217 3,220 2,222 2,223 2,224 3,229 2,232 1,234 1,236 3,237 1,239 1,240 2,241 1,242 2,244 1,245 1,249 2,250 1,252 1,253 1,255 1,263 2,266 1,268 1,273 1,275 802,276 16.593,277 16.593,278 16.593,279 16.593,280 16.593,281 14.738,282 15.526,283 9.916,284 17.264,285 12.706,286 12.706,287 12.706,288 12.706,289 12.706,290 9.759,291 14.103,292 4.412,293 13.613,294 3.746,295 1.53,296 0.657,297 0.407,298 0.407,299 0.407,300 3.91,303 1,304 1,305 1,306 432,307 3,310 48.596,311 131.139,314 92.581,318 1.24,319 26.096,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.5,331 207,332 4.746,333 3.354,334 7.002,335 4.281,336 3.315,337 4.723,338 0.86,339 11.958,340 3.202,341 4.26,342 3.182,343 6.209,344 3.834,345 2.887,346 3.916,347 0.86,348 9.271,349 2.732,350 3.741,351 2.52,352 5.908,353 3.356,354 2.407,355 3.154,357 8.123,358 2.276,359 3.68,360 2.431,361 5.584,362 3.256,363 2.316,364 3.1,366 7.111,367 2.172,368 3.012,369 2.267,370 4.525,371 2.582,372 1.683,373 2.254,375 4.403,376 1.507,377 2.947,378 1.735,379 4.487,380 2.472,381 1.544,382 2.082,384 4.181,385 1.43,386 2.81,387 1.584,388 4.365,389 2.437,390 1.498,391 1.909,393 4.022,394 1.401,395 2.499,396 1.314,397 3.689,398 2.005,399 1.072,400 1.499,402 2.6,403 0.996,404 2.169,405 1.266,406 3.206,407 1.939,408 1,409 1.134,411 1.811,412 0.929,413 2.064,414 1.132,415 3.132,416 1.821,417 0.903,418 1.019,420 1.613,421 0.822,422 1.714,423 0.917,424 2.869,425 1.429,426 0.548,427 0.623,428 0.894,429 0.478,430 1.09,431 0.166,432 2.57,433 0.698,434 -0.211,435 -0.245,436 -0.347,437 -0.191,438 0.971,439 0.053,440 2.419,441 0.677,442 -0.228,443 -0.267,445 -0.456,446 -0.205,447 0.81,448 -0.227,449 2.261,450 0.454,451 -0.456,452 -0.529,454 -0.855,455 -0.409,456 0.754,457 -0.383,458 2.226,459 0.383,460 -0.552,461 -0.704,463 -1.188,464 -0.518,465 11,466 0.458,467 0.483,468 0.02,469 31.75,470 1.323,471 15.5,472 0.646,473 16.25,474 0.677,475 18.044,476 0.752,477 26.8,478 0.623,479 23.841,480 0.993,481 6.475,482 0.27,483 5.214,484 0.217,485 0.158,487 0.355,493 0.963,494 1.412,495 0.784,496 1.199,497 1.057,498 0.987,499 1.219,500 1.013,501 0.822,502 0.841,503 0.95,504 0.765,505 1.084,506 1.087,507 0.807,508 0.806,509 0.899,510 0.753,511 0.887,512 1.142,513 0.979,514 1.139,515 0.733,516 1.085,517 1.031,518 1.159,519 1.129,520 1.147,521 0.836,522 1.154,523 0.86,524 1.196,525 1.072,526 1.231,527 0.921,528 1.199,529 0.639,530 1.018,531 0.913,532 1.131,533 0.797,534 1.092,535 1.17,536 0.788,537 0.988,538 0.828,539 1.224,540 0.867,541 4,542 0.058,543 2.889,544 2.042,545 1.762,546 0.921,547 0.586,548 0.439,549 0.264,550 0.107,551 5391,552 16264,553 2.04,554 44.2,556 12,558 1,559 3,561 3,564 1.677,565 1.895,566 3.115,567 1.08,568 1,569 1,571 1,573 72.254,574 1.68,575 3.897,576 4.769,577 5.019,578 5.019,579 5.019,580 2.507,581 4.585,582 4.553,583 3.229,584 891.302,585 7.9,586 10182.9,588 1,590 1,591 233.329,592 1.459,593 4.507,594 0.154,595 0.01,596 0.08,597 0.051,598 0.044,599 0.026,600 0.019,601 0.017,602 0.013,603 0.008,604 0.422,605 0.33,606 1,607 1.296,608 111.71,609 -0.085,610 -0.154,611 0.041,612 -0.088,613 -0.174,614 -0.009,615 -0.13,616 0.088,617 0.111,618 0.175,619 -0.063,620 0.186,621 -0.017,623 0.134,624 0.195,625 -0.025,626 0.197,627 -0.005,628 0.042,629 -0.099,630 -0.118,631 0.032,632 -0.135,633 -0.119,634 -0.086,635 -0.21,636 -0.133,637 -0.053,638 -0.181,639 -0.028,640 -0.169,641 -0.141,642 -0.222,643 -0.079,644 -0.206,645 0.249,646 -0.097,647 0.078,648 -0.16,649 0.211,650 -0.093,651 -0.014,652 0.045,653 0.076,654 0.085,655 -0.041,656 0.099,657 1.549,658 3.239,659 0.625,660 19.035,661 1.016,662 1.14,663 2.157,664 4.651,665 0.645,666 3.296,667 3.611,668 3.951,669 4.277,670 4.522,671 4.644,672 4.771,673 4.883,674 4.913,675 4.844,676 5.279,677 0.626,678 329.4,679 3.296,680 4.828,681 5.7,682 6.6,683 7.501,684 8.412,685 9.323,686 10.24,687 11.156,688 12.075,689 11.6,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,729 2,731 43,733 16,734 1,735 26,737 45,738 16,739 11,740 3,741 3,746 3,747 4,752 2,761 11,762 5,777 1,778 1,781 19,782 7,783 3,784 8,790 5,794 0.667,795 3,796 1,803 1,806 1,811 1,812 2,815 1,838 1,840 2,844 2,848 24,849 1,853 1,854 3,856 2,870 7,871 1,875 2,877 12.667,878 8.25,879 5.583,880 2.497,881 3.17,882 1.444,883 0.944,884 4.946,885 10.307,886 3.555,887 4.201,888 4.897,889 5.575,890 6.153,891 6.556,892 7.012,893 7.461,894 7.749,895 8.014,896 0.833,897 40,898 8.806,900 3.648,901 7.84,902 16.531,904 12.989,905 2.34,906 56.167,910 188.338,911 86.499,912 84.908,914 64.683,917 86.499,918 253.021,919 84.908,920 19.708,921 6.698,922 104.009,923 63.72,924 51.397,925 2.328,926 176.567,928 188.338,929 171.407,930 64.683,933 153.024,934 57.313,935 42.683,937 30.391,938 90.782,939 50.234,941 188.338,942 149.591,943 86.499,946 188.338,947 29.743,948 58.532,950 147.814,951 188.338,952 149.591,953 86.499,955 0.561,956 0.351,957 0.212,958 0.122,959 17,960 8,961 0.133,962 6,963 1,964 1.133,965 3.456,966 200.235,967 0.133,968 15,969 110.039,974 16.643,975 7.133,976 3.092,977 1.235,978 147.814,979 6.923,980 12.841,984 3.053,985 1.618,986 75.581,987 424.428,988 34,999 43.676,1000 49.026,1001 0.31,1002 0.718,1003 0.879,1004 0.925,1005 0.925,1006 0.925,1007 4.779,1008 1.072,1009 5.687,1010 4.022,1011 4.29,1012 4.887,1013 1.376,1014 6.555,1015 4.173,1016 6.001,1017 1,1018 7.277,1019 2.6,1020 3.892,1021 4.808,1023 7.585,1024 3.751,1025 7.332,1026 0.903,1027 8.974,1028 1.811,1029 5.922,1030 7.209,1031 1.159,1032 10.74,1033 5.72,1034 8.71,1035 0.548,1036 10.734,1037 1.613,1038 6.399,1039 8.016,1041 12.626,1042 6.174,1043 10.126,1044 -0.211,1045 12.534,1046 0.894,1047 7.881,1048 9.881,1049 0.963,1050 15.303,1051 7.612,1052 11.568,1053 -0.228,1054 14.361,1055 -0.347,1056 8.753,1057 11.089,1059 17.536,1060 8.456,1061 13.032,1062 -0.456,1063 16.209,1064 -0.456,1065 10.031,1066 12.748,1067 0.787,1068 20.066,1069 9.698,1070 3.315,1071 -0.552,1072 18.071,1073 -0.855,1074 11.078,1075 14.141,1077 22.441,1078 10.714,1079 2.887,1080 11.958,1081 19.946,1082 -1.188,1083 12.285,1084 15.723,1085 0.634,1086 24.928,1087 11.889,1088 2.407,1089 9.271,1090 21.831,1091 4.723,1092 13.408,1093 17.199,1095 27.362,1096 12.98,1097 2.316,1098 8.123,1099 23.723,1100 3.916,1101 14.593,1102 18.754,1103 0.504,1104 29.839,1105 14.134,1106 1.683,1107 7.111,1108 25.623,1109 3.154,1110 15.75,1111 20.268,1113 32.298,1114 15.259,1115 1.544,1116 4.403,1117 27.529,1118 3.1,1119 16.932,1120 21.815,1121 0.395,1122 34.774,1123 16.409,1124 1.498,1125 4.181,1126 29.439,1127 2.254,1128 18.105,1129 23.347,1131 37.245,1132 17.55,1133 5440,1134 9559,1135 17.107,1136 27.722,1137 38.516,1138 39.092,1139 41.028,1140 38.349,1141 38.343,1142 50.828,1143 3.44,1144 111.976,1145 35.889,1146 5.479,1147 5.354,1148 6.765,1149 5.353,1150 5.315,1151 7.723,1152 1.72,1153 19.331,1154 5.202,1155 12.482,1156 1.481,1157 1.504,1158 1.578,1159 1.475,1160 1.475,1161 1.955,1162 0.132,1163 4.307,1164 1.38,1165 4.129,1166 4.174,1167 4.112,1168 3.989,1169 6.456,1170 4.013,1171 3.857,1172 3.878,1173 3.815,1174 3.731,1175 5.256,1176 3.75,1177 3.512,1178 3.584,1179 3.396,1180 3.278,1181 4.935,1182 3.29,1183 3.464,1184 3.535,1185 3.279,1186 3.258,1187 4.829,1188 3.25,1189 3.284,1190 3.343,1191 3.157,1192 3.03,1193 4.511,1194 3.054,1195 3.137,1196 3.221,1197 2.98,1198 2.853,1199 4.472,1200 2.866,1201 2.993,1202 3.1,1203 2.865,1204 2.714,1205 4.233,1206 2.722,1207 2.861,1208 2.917,1209 2.707,1210 2.683,1211 3.727,1212 2.705,1213 0.183,1214 0.129,1215 0.269,1216 0.165,1217 0.128,1218 4.746,1219 0.182,1220 3.354,1221 0.033,1222 7.002,1223 0.46,1224 4.281,1225 0.123,1226 3.315,1227 4.723,1228 0.86,1229 11.958,1230 3.202,1231 1.926,1232 1.91,1233 1.995,1234 2.037,1235 1.136,1236 2.02,1237 1.778,1238 1.736,1239 1.868,1240 1.98,1241 1.063,1242 1.951,1243 1.528,1244 1.464,1245 1.789,1246 1.788,1247 0.933,1248 1.774,1249 1.451,1250 1.377,1251 1.714,1252 1.69,1253 0.813,1254 1.717,1255 1.217,1256 1.156,1257 1.567,1258 1.521,1259 0.573,1260 1.533,1261 1.058,1262 0.98,1263 1.243,1264 1.379,1265 0.265,1266 1.348,1267 0.865,1268 0.801,1269 1.146,1270 1.201,1271 0.18,1272 1.187,1273 0.845,1274 0.773,1275 1.102,1276 1.09,1277 0.115,1278 1.091,1279 3.97,1281 5.283,1282 2.398,1283 6.815,1284 4.844,1285 8.452,1286 7.066,1287 10.146,1289 3.498,1293 6.034,1294 9.239,1295 0.791,1297 10.935,1305 26.939,1306 72.254,1307 167.555,1308 205.065,1309 215.82,1310 215.82,1311 215.82,1312 38.172,1313 7.137,1314 108.31,1315 108.31,1316 17,1317 12.585,1318 4.087,1319 3.17,1320 38.95,1321 74,1322 78,1323 0.263,1324 167.536,1325 278.47,1326 400.548,1327 10280,1329 17.104,1330 0.713,1331 0.565,1332 17.104,1333 13.561,1334 11.689,1335 0.45,1336 0.292,1337 7.405,1338 10.979,1339 7.229,1340 6.001,1341 11.689,1342 7.582,1343 9.888,1344 0.275,1345 0.14,1346 9.888,1347 5.052,1348 8.652,1349 0.17,1350 0.071,1351 8.652,1352 3.607,1353 7.677,1354 0.108,1355 0.036,1356 7.677,1357 2.575,1358 6.246,1359 0.069,1360 0.019,1361 6.246,1362 1.719,1363 0.396,1364 75.047,1365 0.242,1366 22.838,1367 0.773,1368 124,1369 415.513,1370 140.964,1371 389.907,1372 537.61,1373 368,1374 149,1375 400.456,1376 166.938,1377 400.323,1378 590.8,1379 376,1380 5.863}
{0 CHEMBL1242754,1 1.465,2 8.043,3 2.612,4 6.825,5 90.484,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.948,13 3.341,14 4.285,15 4.464,16 3.798,17 3.735,18 5.382,19 3.717,20 4.487,21 4.689,22 3.871,23 3.847,24 5.569,25 3.817,26 4.564,27 4.796,28 3.826,29 3.839,30 5.659,31 3.787,32 4.47,33 4.689,34 3.659,35 3.77,36 5.488,37 3.701,38 4.397,39 4.605,40 3.614,41 3.701,42 5.51,43 3.628,44 4.478,45 4.745,46 3.386,47 3.615,48 5.466,49 3.501,50 4.308,51 4.617,52 3.101,53 3.383,54 5.167,55 3.247,56 0.046,57 0.654,58 7.273,59 3.04,60 8.667,61 4.033,62 0.141,63 1.029,64 13.478,65 5.082,66 16.112,67 7.001,68 0.154,69 1.216,70 17.366,71 5.879,72 18.667,73 8.306,74 0.331,75 1.269,76 20.041,77 6.467,78 33.89,79 9.227,80 0.199,81 1.143,82 17.639,83 5.859,84 22.001,85 8.278,86 0.177,87 1.075,88 15.928,89 5.71,90 27.445,91 8.005,92 0.224,93 1.058,94 19.798,95 6.045,96 35.112,97 8.926,98 0.214,99 0.826,100 18.378,101 5.644,102 27.334,103 8.549,104 11,105 38,106 0.256,107 0.648,108 0.776,109 0.828,110 0.837,111 0.837,112 3.19,113 0.864,114 -4.45,115 -4.38,116 -4.13,119 43.6,120 2,127 1,142 5,143 3,145 1,146 2,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 10,177 1,178 1,180 1,183 8,185 1,186 1,187 7,195 6,198 3,199 8,201 3,202 3,204 1,207 6,209 1,211 1,212 4,217 1,220 4,222 1,223 2,224 7,226 1,227 1,229 3,232 4,234 3,237 7,242 1,245 3,247 1,250 5,255 2,258 2,260 2,263 2,268 1,271 4,273 1,275 677,276 15.637,277 15.637,278 15.637,279 15.637,280 15.637,281 13.264,282 9.487,283 9.059,284 15.953,285 12.838,286 12.838,287 12.838,288 12.838,289 12.838,290 9.221,291 7.5,292 4.27,293 13.346,294 3.82,295 1.581,296 0.849,297 0.552,298 0.5,299 0.5,300 3.888,303 1,304 1,305 1,306 407,307 2.646,310 40.642,311 150.345,314 78.29,315 83.376,318 1.18,319 16.094,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49,331 185,332 4.762,333 3.376,334 7.039,335 4.303,336 3.339,337 4.737,339 12.088,340 3.22,341 4.396,342 2.923,343 6.247,344 3.893,345 2.913,346 4.324,348 9.372,349 2.852,350 3.85,351 2.664,352 6.069,353 3.512,354 2.554,355 3.298,357 8.561,358 2.446,359 3.744,360 2.399,361 5.712,362 3.33,363 2.367,364 3.179,366 7.453,367 2.277,368 3.118,369 1.822,370 4.82,371 2.685,372 1.744,373 2.427,375 4.819,376 1.639,377 3.08,378 1.618,379 4.531,380 2.587,381 1.618,382 2.368,384 4.487,385 1.566,386 3.016,387 1.579,388 4.367,389 2.537,390 1.579,391 2.141,393 4.088,394 1.512,395 2.86,396 1.368,397 3.864,398 2.343,399 1.368,400 2.035,402 2.999,403 1.329,404 2.527,405 1.059,406 3.614,407 2.005,408 1.058,409 1.539,411 2.733,412 0.999,413 2.186,414 0.856,415 3.486,416 1.789,417 0.827,418 1.077,420 2.06,421 0.794,422 2.085,423 0.639,424 3.162,425 1.599,426 0.632,427 0.922,428 1.506,429 0.61,430 1.084,431 -0.144,432 2.682,433 0.657,434 -0.273,435 -0.348,436 -0.643,437 -0.251,438 1.03,439 -0.409,440 2.425,441 0.539,442 -0.415,443 -0.587,445 -1.037,446 -0.398,447 0.882,448 -0.618,449 2.262,450 0.361,451 -0.618,452 -0.927,454 -1.598,455 -0.603,456 0.644,457 -0.776,458 2.229,459 0.13,460 -0.811,461 -1,463 -2,464 -0.758,465 10.9,466 0.474,467 0.61,468 0.027,469 34,470 1.478,471 18.5,472 0.804,473 15.5,474 0.674,475 16.1,476 0.7,477 23.3,478 0.597,479 23.04,480 1.002,481 6.504,482 0.283,483 4.643,484 0.202,485 0.128,487 0.404,493 0.868,494 1.228,495 0.738,496 0.978,497 1.076,498 0.864,499 0.81,500 1.066,501 0.699,502 0.873,503 0.648,504 0.789,505 1.148,506 1.199,507 0.876,508 0.953,509 0.831,510 0.889,511 1.029,512 0.863,513 0.952,514 0.865,515 0.998,516 0.891,517 1.294,518 1.074,519 1.166,520 1.055,521 1.081,522 1.085,523 0.997,524 1.193,525 1.145,526 1.238,527 1.158,528 1.217,529 1.338,530 1.021,531 1.197,532 1.029,533 1.537,534 1.081,535 1.052,536 0.706,537 0.902,538 0.719,539 0.9,540 0.776,541 4,542 0.025,543 2.889,544 1.917,545 1.869,546 0.799,547 0.485,548 0.38,549 0.179,550 0.082,551 5247,552 13076,553 2.141,554 41,556 6,558 2,559 2,561 6,564 1.663,565 2,566 3.014,567 0.321,568 1,569 1,571 1,573 57.134,574 1.465,575 3.704,576 4.436,577 4.734,578 4.785,579 4.785,580 2.442,581 4.437,582 4.497,583 3.132,584 792.408,585 7.773,586 8620.42,587 1,588 1,589 1,590 1,591 206.131,592 1.422,593 4.454,594 0.154,595 0.008,596 0.076,597 0.048,598 0.051,599 0.026,600 0.017,601 0.017,602 0.011,603 0.008,604 0.415,605 0.33,606 1,607 0.777,608 104.655,609 0.027,610 -0.08,611 0.059,612 -0.011,613 -0.178,614 0.021,615 0.167,616 0.02,617 0.178,618 0.088,619 0.157,620 0.126,621 -0.084,622 -0.139,623 0.042,624 -0.012,625 0.039,626 0.025,627 0.133,628 0.174,629 0.018,630 0.062,631 0.087,632 0.03,633 -0.23,634 -0.039,635 -0.229,636 -0.114,637 -0.156,638 -0.161,639 0.014,640 -0.159,641 -0.224,642 -0.288,643 -0.013,644 -0.29,645 -0.252,646 -0.074,647 -0.173,648 -0.079,649 -0.31,650 -0.108,651 -0.079,652 0.145,653 0.192,654 0.281,655 0.094,656 0.277,657 1.231,658 2.096,659 0.826,660 15.981,661 1.001,662 1.13,663 3.218,664 10.356,665 0.688,666 3.296,667 3.664,668 4.007,669 4.344,670 4.625,671 4.745,672 4.868,673 5.024,674 5.106,675 5.106,676 4.96,677 0.661,678 304.39,679 3.296,680 4.86,681 5.746,682 6.658,683 7.567,684 8.486,685 9.403,686 10.325,687 11.245,688 12.17,689 15.4,693 1,697 1,699 4,703 4,704 7,705 4,709 3,710 1,711 21,722 1,731 39,733 21,734 1,735 26,737 42,738 17,739 14,740 2,741 4,746 4,747 6,752 2,758 1,761 14,762 3,777 1,778 1,781 16,782 5,783 2,784 6,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 2,848 23,849 1,858 1,877 11.5,878 7.75,879 4.944,880 2.369,881 4.316,882 1.577,883 1.034,884 3.154,885 11.795,886 3.624,887 4.341,888 5.068,889 5.772,890 6.396,891 6.819,892 7.316,893 7.841,894 8.264,895 8.596,896 1,897 40,898 8.439,900 3.624,901 7.63,902 16.169,904 13.433,905 2.13,906 49,910 164.795,911 99.973,912 101.693,917 99.973,918 164.795,919 101.693,920 17.65,922 80.278,923 92.277,924 32.675,925 2.328,926 141.253,928 164.795,929 201.667,933 94.169,934 70.627,937 43.709,938 90.938,939 67.02,941 164.795,942 101.693,943 99.973,946 164.795,947 17.276,948 84.474,950 99.917,951 164.795,952 101.693,953 99.973,955 0.591,956 0.357,957 0.206,958 0.119,959 21,960 9,961 0.048,962 2,963 2,964 1.211,965 3.435,966 199.866,967 0.211,968 19,969 102.042,974 13.951,975 5.2,976 2.202,977 3.537,978 99.917,979 13.359,980 17.72,984 2.115,985 1.873,986 32.897,987 366.462,988 36.5,999 39.029,1000 44.066,1001 0.277,1002 0.701,1003 0.839,1004 0.896,1005 0.905,1006 0.905,1007 4.862,1008 1.368,1009 5.753,1010 4.088,1011 4.344,1012 5.027,1014 6.632,1015 4.27,1016 6.113,1017 1.058,1018 7.352,1019 2.999,1020 4.007,1021 4.956,1023 7.667,1024 3.908,1025 7.453,1026 0.827,1027 9.055,1028 2.733,1029 5.994,1030 7.398,1032 10.825,1033 5.854,1034 8.836,1035 0.632,1036 10.819,1037 2.06,1038 6.494,1039 8.195,1041 12.713,1042 6.326,1043 10.255,1044 -0.273,1045 12.622,1046 1.506,1047 7.967,1048 10.095,1050 15.399,1051 7.764,1052 11.699,1053 -0.415,1054 14.453,1055 -0.643,1056 8.846,1057 11.297,1059 17.635,1060 8.611,1061 13.165,1062 -0.618,1063 16.304,1064 -1.037,1065 10.125,1066 12.976,1068 20.172,1069 9.857,1070 3.339,1071 -0.811,1072 18.169,1073 -1.598,1074 11.175,1075 14.365,1077 22.553,1078 10.872,1079 2.913,1080 12.088,1081 20.047,1082 -2,1083 12.385,1084 15.954,1086 25.048,1087 12.048,1088 2.554,1089 9.372,1090 21.934,1091 4.737,1092 13.51,1093 17.426,1095 27.49,1096 13.137,1097 2.367,1098 8.561,1099 23.83,1100 4.324,1101 14.7,1102 18.982,1104 29.975,1105 14.292,1106 1.744,1107 7.453,1108 25.732,1109 3.298,1110 15.861,1111 20.49,1113 32.444,1114 15.416,1115 1.618,1116 4.819,1117 27.64,1118 3.179,1119 17.047,1120 22.034,1122 34.929,1123 16.566,1124 1.579,1125 4.487,1126 29.553,1127 2.427,1128 18.225,1129 23.56,1131 37.41,1132 17.706,1133 4990,1134 8013,1135 17.512,1136 26.841,1137 40.362,1138 39.93,1139 41.515,1140 40.012,1141 39.997,1142 56.095,1144 120.33,1145 38.485,1146 5.429,1147 5.376,1148 6.727,1149 5.375,1150 5.339,1151 7.737,1153 19.555,1154 5.22,1155 10.072,1156 1.552,1157 1.536,1158 1.597,1159 1.539,1160 1.538,1161 2.157,1163 4.628,1164 1.48,1165 4.155,1166 4.197,1167 4.134,1168 4.045,1169 5.259,1170 4.058,1171 3.991,1172 4.029,1173 3.955,1174 3.869,1175 4.994,1176 3.889,1177 3.579,1178 3.656,1179 3.445,1180 3.421,1181 4.841,1182 3.41,1183 3.455,1184 3.503,1185 3.38,1186 3.339,1187 4.515,1188 3.344,1189 3.137,1190 3.232,1191 3.032,1192 2.887,1193 4.349,1194 2.918,1195 2.999,1196 3.097,1197 2.89,1198 2.855,1199 4.079,1200 2.853,1201 2.97,1202 3.042,1203 2.853,1204 2.679,1205 3.899,1206 2.717,1207 2.874,1208 3.009,1209 2.526,1210 2.618,1211 3.677,1212 2.57,1213 0.183,1214 0.13,1215 0.271,1216 0.165,1217 0.128,1218 4.762,1219 0.182,1220 3.376,1222 7.039,1223 0.465,1224 4.303,1225 0.124,1226 3.339,1227 4.737,1229 12.088,1230 3.22,1231 2.042,1232 2.019,1233 2.116,1234 2.123,1235 1.225,1236 2.122,1237 1.829,1238 1.787,1239 1.949,1240 2.02,1241 1.145,1242 1.993,1243 1.655,1244 1.594,1245 1.818,1246 1.848,1247 0.923,1248 1.847,1249 1.443,1250 1.393,1251 1.598,1252 1.593,1253 0.628,1254 1.603,1255 1.042,1256 0.966,1257 1.417,1258 1.355,1259 0.469,1260 1.329,1261 0.98,1262 0.922,1263 1.219,1264 1.239,1265 0.245,1266 1.308,1267 0.934,1268 0.804,1269 1.209,1270 1.183,1271 0.171,1272 1.184,1273 0.826,1274 0.746,1275 1.057,1276 1.136,1277 0.035,1278 1.135,1279 3.97,1281 5.323,1282 2.398,1283 6.884,1284 4.844,1285 8.542,1286 7.081,1287 10.249,1289 4.125,1293 6.096,1299 0.175,1305 25.762,1306 57.134,1307 144.463,1308 173.011,1309 184.621,1310 186.621,1311 186.621,1312 27.707,1313 7.478,1314 82.51,1315 82.51,1316 23,1317 12.676,1318 4.459,1319 3.524,1320 31.639,1321 67,1322 68,1323 0.235,1324 158.686,1325 251.86,1326 378.953,1327 16621,1329 15.974,1330 0.695,1331 0.562,1332 15.974,1333 12.932,1334 11.148,1335 0.429,1336 0.288,1337 7.393,1338 10.757,1339 7.162,1340 5.987,1341 11.148,1342 7.488,1343 10.335,1344 0.272,1345 0.152,1346 10.335,1347 5.761,1348 8.979,1349 0.166,1350 0.072,1351 8.979,1352 3.871,1353 7.939,1354 0.104,1355 0.036,1356 7.939,1357 2.758,1358 6.765,1359 0.067,1360 0.019,1361 6.765,1362 1.931,1363 0.352,1364 69.484,1365 0.239,1366 21.912,1367 0.697,1368 128,1369 339.538,1370 139.157,1371 340.128,1372 486.67,1373 320,1374 156,1375 385.758,1376 168.628,1377 392.435,1378 579.48,1379 370,1380 5.553}
{0 CHEMBL1242755,1 1.443,2 8.68,3 3.288,4 10.812,5 97.731,6 7.684,7 0.724,8 3.896,9 4.026,10 3.514,11 3.472,12 4.986,13 3.458,14 4.434,15 4.605,16 3.901,17 3.9,18 5.458,19 3.864,20 4.693,21 4.922,22 3.936,23 3.982,24 5.649,25 3.921,26 4.671,27 4.916,28 3.918,29 3.921,30 5.705,31 3.871,32 4.563,33 4.775,34 3.815,35 3.894,36 5.566,37 3.837,38 4.537,39 4.742,40 3.777,41 3.875,42 5.583,43 3.806,44 4.605,45 4.845,46 3.655,47 3.833,48 5.565,49 3.735,50 4.552,51 4.838,52 3.343,53 3.661,54 5.431,55 3.521,56 0.05,57 0.717,58 8.297,59 3.522,60 8.774,61 4.698,62 0.139,63 1.178,64 15.651,65 6.239,66 16.491,67 8.555,68 0.171,69 1.418,70 22.931,71 7.978,72 23.506,73 11.523,74 0.374,75 1.401,76 23.248,77 7.212,78 36.846,79 10.468,80 0.218,81 1.281,82 19.373,83 6.327,84 25.148,85 8.945,86 0.218,87 1.249,88 18.549,89 6.563,90 29.432,91 9.181,92 0.179,93 1.256,94 21.37,95 7.207,96 28.76,97 10.431,98 0.249,99 1.109,100 22.225,101 6.961,102 34.777,103 10.34,104 2,105 42,106 0.247,107 0.624,108 0.755,109 0.833,110 0.841,111 0.841,112 3.269,113 0.895,114 -4.92,115 -4.82,116 -4.52,119 44.2,121 4,127 1,142 5,143 3,145 1,146 2,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 10,177 1,178 1,180 1,183 10,185 1,186 1,187 9,195 6,198 3,199 10,201 3,202 3,204 1,207 6,209 1,211 1,212 6,217 1,220 6,222 1,223 2,224 7,226 1,227 1,229 3,232 6,234 3,237 9,242 3,245 5,247 3,250 7,255 2,258 4,260 2,263 2,268 1,271 6,273 1,275 863,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.126,282 9.487,283 10.279,284 17.798,285 14.358,286 14.358,287 14.358,288 14.358,289 14.358,290 10.755,291 7.5,292 4.884,293 14.855,294 3.983,295 1.78,296 1.014,297 0.558,298 0.512,299 0.512,300 3.985,303 1,304 1,305 1,306 494,307 2.121,310 95.706,311 164.043,314 84.315,315 91.068,318 1.238,319 17.142,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 217,332 4.766,333 3.389,334 7.051,335 4.312,336 3.348,337 4.738,339 12.147,340 3.227,341 4.397,342 2.936,343 6.29,344 3.9,345 2.92,346 4.324,348 9.49,349 2.859,350 3.902,351 2.762,352 6.138,353 3.643,354 2.674,355 3.309,357 8.944,358 2.591,359 3.758,360 2.4,361 5.749,362 3.344,363 2.376,364 3.197,366 7.628,367 2.3,368 3.239,369 2.038,370 5.079,371 2.949,372 1.996,373 2.427,375 5.69,376 1.899,377 3.118,378 1.618,379 4.532,380 2.587,381 1.618,382 2.373,384 4.49,385 1.566,386 3.079,387 1.58,388 4.367,389 2.537,390 1.579,391 2.357,393 4.098,394 1.512,395 2.863,396 1.422,397 4.235,398 2.352,399 1.381,400 2.04,402 3.529,403 1.336,404 2.638,405 1.358,406 3.681,407 2.301,408 1.334,409 1.683,411 2.993,412 1.286,413 2.456,414 1.042,415 3.593,416 1.972,417 1.032,418 1.44,420 2.544,421 0.968,422 2.141,423 0.719,424 3.25,425 1.684,426 0.708,427 0.972,428 1.763,429 0.689,430 1.853,431 0.63,432 3.161,433 1.618,434 0.618,435 0.771,436 1.497,437 0.618,438 1.618,439 0.618,440 3,441 1.588,442 0.618,443 0.618,445 1.372,446 0.598,447 1.084,448 -0.142,449 2.682,450 0.658,451 -0.271,452 -0.345,454 -0.642,455 -0.25,456 1.03,457 -0.408,458 2.461,459 0.541,460 -0.414,461 -0.584,463 -1.036,464 -0.397,465 11.9,466 0.476,467 0.534,468 0.021,469 35.5,470 1.42,471 18.5,472 0.74,473 17,474 0.68,475 18.785,476 0.751,477 25.3,478 0.588,479 23.666,480 0.947,481 6.479,482 0.259,483 5.83,484 0.233,485 0.034,487 0.37,493 0.845,494 1.184,495 0.74,496 0.958,497 0.932,498 0.857,499 0.781,500 1.116,501 0.822,502 1.01,503 0.616,504 0.938,505 0.976,506 1.197,507 0.857,508 1.008,509 0.699,510 0.933,511 1.117,512 0.82,513 0.87,514 0.742,515 0.975,516 0.767,517 1.421,518 1.071,519 1.127,520 0.977,521 1.195,522 1.006,523 1.139,524 1.1,525 1.15,526 1.125,527 1.325,528 1.137,529 1.206,530 1.183,531 1.14,532 1.139,533 1.375,534 1.133,535 1.286,536 0.876,537 1.145,538 0.931,539 1.359,540 1.003,541 3.5,542 0.015,543 2.889,544 1.694,545 1.709,546 0.768,547 0.47,548 0.392,549 0.155,550 0.074,551 7095,552 16034,553 2.251,554 41.9,555 4,556 6,558 2,559 2,561 4,564 1.686,565 2.174,566 3.114,567 0.273,568 1,569 1,573 62.05,574 1.443,575 3.646,576 4.412,577 4.868,578 4.915,579 4.915,580 2.504,581 4.214,582 4.616,583 3.228,584 968.475,585 8.016,586 11174.6,588 1,590 1,591 233.329,592 1.159,593 4.603,594 0.121,595 0.002,596 0.069,597 0.04,598 0.042,599 0.021,600 0.013,601 0.013,602 0.007,603 0.005,604 0.334,605 0.33,606 0.88,607 0.372,608 117.367,609 0.041,610 -0.041,611 0.068,612 0.015,613 -0.025,614 0.04,615 0.145,616 -0.034,617 0.049,618 -0.038,619 0.161,620 -0.013,621 0.03,622 -0.2,623 0.108,624 -0.041,625 0.156,626 0.029,627 0.147,628 0.219,629 0.131,630 0.176,631 0.137,632 0.156,633 -0.253,634 0.002,635 -0.19,636 -0.052,637 -0.191,638 -0.101,639 -0.06,640 -0.038,641 -0.228,642 -0.184,643 -0.14,644 -0.22,645 -0.174,646 -0.199,647 -0.163,648 -0.18,649 -0.204,650 -0.172,651 -0.22,652 0.047,653 -0.098,654 0.035,655 -0.176,656 -0.006,657 1.197,658 2.194,659 0.96,660 18.941,661 0.998,662 1.127,663 3.688,664 13.602,665 0.688,666 3.401,667 3.761,668 4.127,669 4.477,670 4.736,671 4.905,672 5.1,673 5.288,674 5.398,675 5.416,676 5.262,677 0.658,678 330.43,679 3.401,680 4.963,681 5.855,682 6.765,683 7.676,684 8.596,685 9.515,686 10.439,687 11.363,688 12.29,689 14,693 1,697 1,699 4,703 4,704 7,705 4,709 3,710 1,711 21,722 1,731 43,733 21,734 1,735 29,737 47,738 19,739 14,740 2,741 4,746 5,747 7,755 5,758 5,761 14,762 5,777 1,778 1,781 18,782 5,783 2,784 6,790 6,794 0.6,803 1,805 1,806 1,811 2,812 3,815 1,816 1,840 3,848 25,849 1,854 4,858 1,877 11.5,878 7.75,879 5.361,880 2.786,881 4.269,882 1.544,883 1.066,884 3.338,885 12.117,886 3.701,887 4.391,888 5.111,889 5.811,890 6.431,891 6.873,892 7.394,893 7.925,894 8.356,895 8.697,896 0.833,897 42,898 9.225,900 4.059,901 7.54,902 18.02,904 15.622,905 2.04,906 51,909 1,910 188.338,911 92.461,912 101.693,917 92.461,918 188.338,919 101.693,921 10.138,922 80.278,923 92.277,924 32.675,925 2.328,926 164.795,928 188.338,929 194.154,933 141.253,934 47.084,937 36.197,938 90.938,939 67.02,941 188.338,942 101.693,943 92.461,946 188.338,947 27.414,948 66.824,950 99.917,951 188.338,952 101.693,953 92.461,955 0.585,956 0.358,957 0.21,958 0.114,959 24,960 9,961 0.043,962 2,963 2,964 1.167,965 3.714,966 230.451,967 0.167,968 24,969 112.096,974 14.65,975 5.696,976 2.341,977 3.697,978 99.917,979 13.553,980 18.146,984 2.234,985 2.047,986 32.897,987 382.492,988 39.5,999 42.912,1000 48.481,1001 0.266,1002 0.672,1003 0.813,1004 0.897,1005 0.906,1006 0.906,1007 4.943,1008 1.381,1009 5.844,1010 4.098,1011 4.443,1012 5.078,1014 6.715,1015 4.376,1016 6.171,1017 1.334,1018 7.431,1019 3.529,1020 4.007,1021 4.956,1023 7.722,1024 3.908,1025 7.502,1026 1.032,1027 9.124,1028 2.993,1029 6.08,1030 7.42,1032 10.897,1033 5.95,1034 8.878,1035 0.708,1036 10.881,1037 2.544,1038 6.538,1039 8.204,1041 12.781,1042 6.375,1043 10.291,1044 0.618,1045 12.681,1046 1.763,1047 8.04,1048 10.104,1050 15.469,1051 7.846,1052 11.732,1053 0.618,1054 14.509,1055 1.497,1056 8.901,1057 11.303,1059 17.703,1060 8.671,1061 13.194,1062 -0.271,1063 16.358,1064 1.372,1065 10.19,1066 12.981,1068 20.242,1069 9.928,1070 3.348,1071 -0.414,1072 18.223,1073 -0.642,1074 11.231,1075 14.369,1077 22.622,1078 10.932,1079 2.92,1080 12.147,1081 20.1,1082 -1.036,1083 12.444,1084 15.958,1086 25.118,1087 12.111,1088 2.674,1089 9.49,1090 21.987,1091 4.738,1092 13.566,1093 17.429,1095 27.561,1096 13.195,1097 2.376,1098 8.944,1099 23.883,1100 4.324,1101 14.757,1102 18.985,1104 30.048,1105 14.349,1106 1.996,1107 7.628,1108 25.785,1109 3.309,1110 15.916,1111 20.493,1113 32.519,1114 15.47,1115 1.618,1116 5.69,1117 27.693,1118 3.197,1119 17.104,1120 22.037,1122 35.007,1123 16.62,1124 1.579,1125 4.49,1126 29.606,1127 2.427,1128 18.281,1129 23.563,1131 37.49,1132 17.759,1133 6470,1134 9883,1135 20.285,1136 29.603,1137 44.239,1138 44.306,1139 44.939,1140 44.47,1141 44.406,1142 60.501,1144 132.373,1145 42.897,1146 5.668,1147 5.389,1148 6.738,1149 5.387,1150 5.348,1151 7.738,1153 19.686,1154 5.227,1155 6.03,1156 1.525,1157 1.528,1158 1.55,1159 1.533,1160 1.531,1161 2.086,1163 4.565,1164 1.479,1165 4.164,1166 4.208,1167 4.141,1168 4.05,1169 5.259,1170 4.064,1171 4,1172 4.037,1173 3.959,1174 3.887,1175 4.994,1176 3.902,1177 3.793,1178 3.851,1179 3.667,1180 3.681,1181 4.839,1182 3.671,1183 3.456,1184 3.507,1185 3.385,1186 3.345,1187 4.514,1188 3.349,1189 3.24,1190 3.332,1191 3.162,1192 2.959,1193 4.351,1194 3.001,1195 3.007,1196 3.097,1197 2.912,1198 2.859,1199 4.169,1200 2.859,1201 2.971,1202 3.046,1203 2.856,1204 2.753,1205 3.916,1206 2.769,1207 2.869,1208 2.979,1209 2.602,1210 2.671,1211 3.683,1212 2.635,1213 0.164,1214 0.117,1215 0.243,1216 0.149,1217 0.115,1218 4.766,1219 0.163,1220 3.389,1222 7.051,1223 0.419,1224 4.312,1225 0.111,1226 3.348,1227 4.738,1229 12.147,1230 3.227,1231 2.042,1232 2.019,1233 2.116,1234 2.123,1235 1.244,1236 2.122,1237 1.825,1238 1.785,1239 1.901,1240 2.01,1241 1.223,1242 1.977,1243 1.634,1244 1.579,1245 1.86,1246 1.819,1247 1.211,1248 1.812,1249 1.577,1250 1.507,1251 1.792,1252 1.751,1253 0.932,1254 1.793,1255 1.436,1256 1.388,1257 1.593,1258 1.582,1259 0.633,1260 1.593,1261 1.038,1262 0.966,1263 1.216,1264 1.34,1265 0.247,1266 1.318,1267 0.98,1268 0.922,1269 1.209,1270 1.182,1271 0.201,1272 1.183,1273 0.826,1274 0.748,1275 1.057,1276 1.134,1277 0.094,1278 1.132,1279 4.078,1281 5.425,1282 3.045,1283 6.978,1284 5.352,1285 8.628,1286 7.455,1287 10.33,1293 6.194,1295 4.741,1299 0.388,1305 28.289,1306 62.05,1307 156.784,1308 189.72,1309 209.329,1310 211.329,1311 211.329,1312 29.902,1313 7.849,1314 82.51,1315 82.51,1316 28,1317 12.795,1318 4.459,1319 3.524,1320 31.86,1321 77,1322 80,1323 0.202,1324 170.477,1325 274.1,1326 407.724,1327 26423,1329 16.803,1330 0.672,1331 0.55,1332 16.803,1333 13.761,1334 12.31,1335 0.424,1336 0.298,1337 8.555,1338 11.928,1339 8.418,1340 6.944,1341 12.31,1342 8.649,1343 11.135,1344 0.265,1345 0.157,1346 11.135,1347 6.606,1348 10.128,1349 0.166,1350 0.083,1351 10.128,1352 5.053,1353 9.1,1354 0.105,1355 0.044,1356 9.1,1357 3.801,1358 7.394,1359 0.065,1360 0.021,1361 7.394,1362 2.322,1363 0.305,1364 76.455,1365 0.222,1366 23.636,1367 0.597,1368 142,1369 353.538,1370 153.157,1371 353.649,1372 508.83,1373 334,1374 174,1375 403.758,1376 186.961,1377 409.707,1378 608.36,1379 388,1380 5.745}
{0 CHEMBL1242756,1 1.495,2 7.857,3 1.886,4 3.557,5 81.318,6 8.374,7 0.875,8 3.652,9 3.779,10 3.334,11 3.216,12 4.864,13 3.226,14 4.116,15 4.282,16 3.708,17 3.601,18 5.288,19 3.603,20 4.264,21 4.436,22 3.755,23 3.701,24 5.421,25 3.685,26 4.319,27 4.519,28 3.655,29 3.665,30 5.466,31 3.618,32 4.258,33 4.477,34 3.451,35 3.556,36 5.305,37 3.486,38 4.192,39 4.433,40 3.307,41 3.413,42 5.269,43 3.34,44 4.084,45 4.358,46 3.146,47 3.24,48 5.046,49 3.15,50 3.773,51 4.025,52 2.884,53 2.943,54 4.883,55 2.861,56 0.061,57 0.576,58 5.265,59 2.374,60 7.517,61 2.871,62 0.17,63 0.893,64 9.843,65 3.856,66 14.119,67 4.843,68 0.14,69 1.01,70 11.512,71 4.572,72 15.823,73 5.789,74 0.256,75 1.032,76 13.141,77 4.974,78 23.992,79 6.421,80 0.158,81 0.92,82 13.278,83 4.925,84 17.18,85 6.538,86 0.219,87 0.847,88 13.302,89 4.326,90 27.353,91 5.788,92 0.17,93 0.714,94 13.639,95 4.604,96 19.324,97 6.636,98 0.166,99 0.547,100 9.055,101 3.072,102 18.375,103 4.273,104 5,105 35,106 0.27,107 0.666,108 0.81,109 0.874,110 0.874,111 0.874,112 3.105,113 0.815,114 -3.96,115 -3.91,116 -3.71,119 45.5,124 1,142 5,143 3,145 1,146 2,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 8,177 1,178 1,180 1,183 7,185 1,186 1,187 6,195 7,198 2,199 7,201 3,202 3,204 1,207 5,209 1,212 7,217 2,220 2,222 2,223 1,224 7,229 2,232 1,234 2,236 1,237 3,242 1,247 1,249 2,250 2,252 1,253 1,255 1,260 1,275 503,276 14.43,277 14.43,278 14.43,279 14.43,280 14.43,281 11.98,282 6.325,283 8.372,284 14.73,285 11.854,286 11.854,287 11.854,288 11.854,289 11.854,290 8.209,291 5,292 3.958,293 12.342,294 3.549,295 1.357,296 0.557,297 0.205,298 0.205,299 0.205,300 3.805,303 1,304 1,305 1,306 369,307 2,310 35.554,311 133.551,314 68.728,315 74.373,318 1.129,319 14.53,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 45,331 165,332 4.741,333 3.329,334 6.987,335 4.273,336 3.305,337 4.723,339 11.875,340 3.2,341 4.392,342 2.907,343 6.213,344 3.884,345 2.903,346 4.323,348 9.294,349 2.846,350 3.79,351 2.414,352 5.873,353 3.367,354 2.4,355 3.274,357 7.985,358 2.32,359 3.648,360 2.371,361 5.501,362 3.194,363 2.26,364 3.086,366 6.773,367 2.107,368 3.118,369 1.618,370 4.532,371 2.605,372 1.618,373 2.427,375 4.491,376 1.596,377 3.079,378 1.58,379 4.367,380 2.524,381 1.579,382 2.368,384 4.105,385 1.488,386 2.865,387 1.426,388 4.327,389 2.337,390 1.378,391 2.042,393 3.66,394 1.319,395 2.712,396 1.352,397 3.66,398 2.242,399 1.296,400 1.799,402 2.992,403 1.223,404 2.462,405 1.032,406 3.583,407 1.95,408 1.01,409 1.445,411 2.472,412 0.947,413 2.137,414 0.646,415 3.163,416 1.612,417 0.643,418 0.958,420 1.519,421 0.622,422 1.102,423 -0.078,424 2.682,425 0.684,426 -0.235,427 -0.296,428 -0.556,429 -0.216,430 1.046,431 -0.373,432 2.441,433 0.572,434 -0.396,435 -0.549,436 -0.993,437 -0.384,438 0.882,439 -0.509,440 2.278,441 0.367,442 -0.618,443 -0.817,445 -1.514,446 -0.573,447 0.751,448 -0.618,449 2.242,450 0.288,451 -0.628,452 -0.927,454 -1.598,455 -0.608,456 0.447,457 -0.923,458 2,459 0.02,460 -0.952,461 -1.32,463 -2.658,464 -0.923,465 9.9,466 0.471,467 0.521,468 0.025,469 33,470 1.571,471 18.5,472 0.881,473 14.5,474 0.69,475 12.036,476 0.573,477 20.7,478 0.627,479 21.67,480 1.032,481 6.537,482 0.311,483 3.7,484 0.176,485 0.091,487 0.394,493 0.891,494 1.193,495 0.679,496 0.914,497 1.076,498 0.791,499 0.914,500 0.927,501 0.699,502 0.744,503 0.691,504 0.697,505 1.032,506 1.191,507 0.886,508 1.016,509 0.91,510 0.943,511 0.927,512 0.942,513 1.093,514 1.075,515 0.984,516 1.105,517 1.091,518 1.146,519 1.144,520 1.171,521 0.862,522 1.168,523 1.297,524 0.983,525 1.219,526 1.025,527 1.541,528 1.091,529 0.788,530 0.958,531 0.831,532 0.936,533 0.829,534 0.9,535 0.84,536 0.943,537 1.071,538 1.1,539 0.864,540 1.12,541 3.5,543 2.667,544 1.792,545 1.539,546 0.521,547 0.364,548 0.318,549 0.089,550 0.054,551 4269,552 11674,553 2.185,554 36.4,556 8,558 2,559 2,564 1.635,565 2.066,566 2.97,567 0.378,569 1,571 1,573 49.332,574 1.495,575 3.688,576 4.488,577 4.84,578 4.84,579 4.84,580 2.398,581 4.011,582 4.368,583 3.065,584 643.721,585 7.499,586 6531.4,587 1,588 1,590 1,591 166.465,592 1.342,593 4.334,594 0.146,596 0.076,597 0.05,598 0.05,599 0.021,600 0.017,601 0.018,602 0.007,603 0.009,604 0.393,605 0.67,606 1,607 0.532,608 92.426,609 -0.014,610 -0.084,611 0.051,612 -0.006,613 -0.217,614 0.026,615 0.06,616 0.152,617 0.123,618 0.174,619 0.09,620 0.162,621 -0.106,622 -0.148,623 -0.046,624 -0.084,625 -0.046,626 -0.06,627 0.079,628 0.083,629 -0.191,630 -0.143,631 -0.002,632 -0.2,633 -0.186,634 -0.191,635 -0.191,636 -0.193,637 -0.02,638 -0.193,639 -0.233,640 -0.018,641 -0.209,642 -0.071,643 -0.334,644 -0.123,645 0.133,646 -0.103,647 0.288,648 0.106,649 0.144,650 0.2,651 0.216,652 -0.012,653 -0.015,654 -0.126,655 0.247,656 -0.113,657 1.227,658 2.004,659 0.905,660 13.283,661 1.008,662 1.128,663 2.726,664 7.428,665 0.707,666 3.219,667 3.584,668 3.932,669 4.263,670 4.522,671 4.575,672 4.718,673 4.883,674 4.963,675 4.905,676 4.713,677 0.688,678 276.33,679 3.219,680 4.779,681 5.666,682 6.575,683 7.48,684 8.394,685 9.306,686 10.222,687 11.136,688 12.053,689 18.2,693 1,697 1,699 4,703 4,704 7,705 4,709 3,710 1,711 21,722 1,731 33,733 21,734 1,735 24,737 36,738 15,739 14,740 3,741 3,746 4,747 6,761 14,762 1,777 1,778 1,781 12,782 5,783 2,784 6,790 6,794 0.5,803 1,805 1,806 1,811 1,812 3,815 1,816 1,840 2,844 1,848 21,849 1,877 10.167,878 6.417,879 4.5,880 1.836,881 4.342,882 1.593,883 1.071,884 2.545,885 11.659,886 3.57,887 4.301,888 5.03,889 5.729,890 6.342,891 6.731,892 7.239,893 7.767,894 8.188,895 8.486,896 1,897 36,898 7.677,900 3.312,901 7.675,902 14.596,904 12.095,905 2.175,906 45.667,910 117.711,911 90.719,912 101.693,917 90.719,918 117.711,919 101.693,920 8.396,922 80.278,923 92.277,924 32.675,925 2.328,926 94.169,928 117.711,929 192.413,933 117.711,937 26.059,938 99.334,939 67.02,941 117.711,942 101.693,943 90.719,946 117.711,947 17.276,948 75.22,950 99.917,951 117.711,952 101.693,953 90.719,955 0.59,956 0.362,957 0.209,958 0.117,959 20,960 8,961 0.028,962 1,963 2,964 1.211,965 3.317,966 175.968,967 0.211,968 19,969 92.239,974 12.095,975 4.419,976 1.817,977 3.516,978 99.917,979 13.194,980 17.185,984 2.202,985 1.718,986 32.897,987 310.124,988 34.5,999 33.262,1000 37.235,1001 0.296,1002 0.731,1003 0.89,1004 0.959,1005 0.959,1006 0.959,1007 4.798,1008 1.296,1009 5.666,1010 3.66,1011 4.263,1012 4.987,1014 6.538,1015 4.189,1016 6.054,1017 1.01,1018 7.259,1019 2.992,1020 3.892,1021 4.913,1023 7.548,1024 3.793,1025 7.396,1026 0.643,1027 8.955,1028 2.472,1029 5.905,1030 7.372,1032 10.708,1033 5.772,1034 8.781,1035 -0.235,1036 10.713,1037 1.519,1038 6.382,1039 8.166,1041 12.582,1042 6.224,1043 10.2,1044 -0.396,1045 12.511,1046 -0.556,1047 7.869,1048 10.072,1050 15.261,1051 7.681,1052 11.645,1053 -0.618,1054 14.336,1055 -0.993,1056 8.735,1057 11.273,1059 17.485,1060 8.521,1061 13.11,1062 -0.628,1063 16.182,1064 -1.514,1065 10.019,1066 12.953,1068 20.013,1069 9.775,1070 3.305,1071 -0.952,1072 18.043,1073 -1.598,1074 11.06,1075 14.34,1077 22.381,1078 10.787,1079 2.903,1080 11.875,1081 19.917,1082 -2.658,1083 12.269,1084 15.929,1086 24.862,1087 11.966,1088 2.4,1089 9.294,1090 21.8,1091 4.723,1092 13.387,1093 17.399,1095 27.289,1096 13.053,1097 2.26,1098 7.985,1099 23.692,1100 4.323,1101 14.572,1102 18.953,1104 29.759,1105 14.207,1106 1.618,1107 6.773,1108 25.59,1109 3.274,1110 15.724,1111 20.459,1113 32.211,1114 15.327,1115 1.579,1116 4.491,1117 27.495,1118 3.086,1119 16.904,1120 22.001,1122 34.679,1123 16.475,1124 1.378,1125 4.105,1126 29.404,1127 2.427,1128 18.073,1129 23.524,1131 37.143,1132 17.611,1133 4006,1134 6739,1135 16.414,1136 23.318,1137 37.137,1138 36.685,1139 38.075,1140 36.809,1141 36.784,1142 52.893,1144 110.336,1145 35.335,1146 5.402,1147 5.329,1148 6.674,1149 5.345,1150 5.305,1151 7.723,1153 19.209,1154 5.2,1155 7.616,1156 1.547,1157 1.529,1158 1.586,1159 1.534,1160 1.533,1161 2.204,1163 4.597,1164 1.472,1165 4.149,1166 4.19,1167 4.128,1168 4.048,1169 5.26,1170 4.06,1171 3.981,1172 4.022,1173 3.949,1174 3.846,1175 4.997,1176 3.87,1177 3.456,1178 3.515,1179 3.384,1180 3.349,1181 4.857,1182 3.348,1183 3.373,1184 3.459,1185 3.27,1186 3.089,1187 4.527,1188 3.121,1189 3.047,1190 3.117,1191 2.948,1192 2.904,1193 4.295,1194 2.906,1195 2.953,1196 3.059,1197 2.841,1198 2.766,1199 3.957,1200 2.771,1201 2.879,1202 2.972,1203 2.669,1204 2.581,1205 3.739,1206 2.597,1207 2.587,1208 2.648,1209 2.457,1210 2.459,1211 3.602,1212 2.453,1213 0.198,1214 0.139,1215 0.291,1216 0.178,1217 0.138,1218 4.741,1219 0.197,1220 3.329,1222 6.987,1223 0.495,1224 4.273,1225 0.133,1226 3.305,1227 4.723,1229 11.875,1230 3.2,1231 2.045,1232 2.023,1233 2.116,1234 2.123,1235 1.236,1236 2.123,1237 1.808,1238 1.767,1239 1.865,1240 1.999,1241 0.954,1242 1.963,1243 1.523,1244 1.467,1245 1.689,1246 1.756,1247 0.734,1248 1.734,1249 1.341,1250 1.263,1251 1.573,1252 1.543,1253 0.591,1254 1.558,1255 1.025,1256 0.966,1257 1.223,1258 1.247,1259 0.253,1260 1.244,1261 0.903,1262 0.838,1263 1.174,1264 1.196,1265 0.137,1266 1.204,1267 0.801,1268 0.688,1269 1.058,1270 1.059,1272 1.067,1273 0.601,1274 0.526,1275 0.838,1276 0.877,1278 0.88,1279 3.892,1281 5.242,1282 2.398,1283 6.804,1284 4.844,1285 8.461,1286 7.05,1287 10.166,1289 1.848,1293 6.004,1305 22.709,1306 49.332,1307 121.694,1308 148.1,1309 159.71,1310 159.71,1311 159.71,1312 21.986,1313 7.317,1314 82.51,1315 82.51,1316 23,1317 12.564,1318 4.459,1319 3.524,1320 27.899,1321 59,1322 56,1323 0.238,1324 139.501,1325 217.26,1326 332.143,1327 13881,1329 14.397,1330 0.686,1331 0.541,1332 14.397,1333 11.355,1334 10.237,1335 0.427,1336 0.272,1337 6.421,1338 9.834,1339 6.261,1340 5.203,1341 10.237,1342 6.522,1343 9.404,1344 0.269,1345 0.138,1346 9.404,1347 4.841,1348 8.403,1349 0.168,1350 0.071,1351 8.403,1352 3.526,1353 7.452,1354 0.106,1355 0.036,1356 7.452,1357 2.534,1358 6.339,1359 0.07,1360 0.019,1361 6.339,1362 1.745,1363 0.357,1364 64.142,1365 0.247,1366 20.264,1367 0.704,1368 118,1369 329.538,1370 128.491,1371 329.434,1372 469.37,1373 310,1374 144,1375 369.054,1376 155.796,1377 376.275,1378 553.18,1379 354,1380 7.456}
{0 CHEMBL1242757,1 1.471,2 6.636,3 2.72,4 7.396,5 87.65,6 7.694,7 0.8,8 3.772,9 3.911,10 3.381,11 3.307,12 4.91,13 3.302,14 4.272,15 4.453,16 3.776,17 3.711,18 5.345,19 3.693,20 4.462,21 4.671,22 3.82,23 3.812,24 5.501,25 3.777,26 4.54,27 4.762,28 3.843,29 3.847,30 5.627,31 3.799,32 4.506,33 4.726,34 3.693,35 3.798,36 5.513,37 3.73,38 4.446,39 4.656,40 3.672,41 3.743,42 5.518,43 3.678,44 4.529,45 4.793,46 3.387,47 3.653,48 5.549,49 3.526,50 4.378,51 4.696,52 2.7,53 3.369,54 5.137,55 3.131,56 0.055,57 0.647,58 7.452,59 2.907,60 9.191,61 3.963,62 0.141,63 1.017,64 13.597,65 5.008,66 16.164,67 7.04,68 0.167,69 1.171,70 17.448,71 5.737,72 17.517,73 8.327,74 0.275,75 1.244,76 19.358,77 6.421,78 29.77,79 9.286,80 0.209,81 1.179,82 18.551,83 5.968,84 23.389,85 8.663,86 0.14,87 1.123,88 17.043,89 5.79,90 21.866,91 8.389,92 0.314,93 1.099,94 20.726,95 6.23,96 40.555,97 9.293,98 0.202,99 0.804,100 19.797,101 6.553,102 30.17,103 9.972,104 11,105 37,106 0.259,107 0.675,108 0.788,109 0.825,110 0.835,111 0.835,112 3.15,113 0.866,114 -4.28,115 -4.22,116 -3.98,119 42.1,120 2,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 7,177 1,178 1,180 4,183 7,185 1,186 1,187 5,192 2,195 6,198 2,199 8,201 3,202 3,204 2,207 5,209 1,212 7,215 1,217 3,220 3,222 2,224 7,227 1,229 4,232 4,234 4,237 2,240 2,241 1,242 1,244 1,245 4,247 1,255 2,258 2,275 584,276 14.983,277 14.983,278 14.983,279 14.983,280 14.983,281 12.719,282 9.487,283 8.624,284 15.307,285 12.338,286 12.338,287 12.338,288 12.338,289 12.338,290 8.879,291 7.5,292 4.028,293 12.854,294 3.777,295 1.419,296 0.777,297 0.566,298 0.513,299 0.513,300 3.844,303 1,304 1,305 1,306 321,307 2.646,310 74.922,311 93.555,314 141.687,318 0.975,319 14.85,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47,331 146,332 4.789,333 3.397,334 7.083,335 4.335,336 3.366,337 4.771,339 12.259,340 3.266,341 4.468,342 3.021,343 6.573,344 3.977,345 3.001,346 4.409,348 10.378,349 2.922,350 3.811,351 2.644,352 6.02,353 3.476,354 2.524,355 3.218,357 8.299,358 2.401,359 3.654,360 2.27,361 5.584,362 3.206,363 2.25,364 3.103,366 7.079,367 2.15,368 3.056,369 1.82,370 4.822,371 2.684,372 1.743,373 2.331,375 4.82,376 1.636,377 3.043,378 1.553,379 4.647,380 2.545,381 1.553,382 2.31,384 4.444,385 1.543,386 3.008,387 1.539,388 4.072,389 2.484,390 1.539,391 2.133,393 3.577,394 1.448,395 2.576,396 1.109,397 3.857,398 2.045,399 1.106,400 1.61,402 2.805,403 1.036,404 2.5,405 1,406 3.513,407 1.97,408 1,409 1.5,411 2.234,412 0.968,413 2.165,414 0.875,415 3.4,416 1.816,417 0.849,418 1.079,420 2.138,421 0.819,422 1.915,423 0.451,424 3.14,425 1.402,426 0.44,427 0.644,428 1.133,429 0.423,430 1.065,431 -0.152,432 2.563,433 0.637,434 -0.283,435 -0.361,436 -0.663,437 -0.26,438 0.934,439 -0.503,440 2.42,441 0.468,442 -0.505,443 -0.704,445 -1.318,446 -0.491,447 0.606,448 -0.793,449 2.274,450 0.091,451 -0.843,452 -1,454 -2,455 -0.784,456 0.5,457 -1,458 2.24,460 -1,461 -1.143,463 -2.347,464 -0.982,465 10.4,466 0.473,467 0.593,468 0.027,469 31.5,470 1.432,471 16.5,472 0.75,473 15,474 0.682,475 15.921,476 0.724,477 22.6,478 0.595,479 21.198,480 0.964,481 6.053,482 0.275,483 4.612,484 0.21,485 0.135,487 0.423,493 0.962,494 1.234,495 0.764,496 0.96,497 1.12,498 0.855,499 0.8,500 1.088,501 0.701,502 0.89,503 0.619,504 0.8,505 1.133,506 1.13,507 0.872,508 0.911,509 0.817,510 0.862,511 0.937,512 0.962,513 0.9,514 0.921,515 0.912,516 0.907,517 1.295,518 1.098,519 1.162,520 1.064,521 1.13,522 1.088,523 1.112,524 1.326,525 1.11,526 1.239,527 1.132,528 1.186,529 1.28,530 0.926,531 1.327,532 1.106,533 1.65,534 1.203,535 0.836,536 0.817,537 1.152,538 1.091,539 1.008,540 1.155,541 3.5,543 2.889,544 2.042,545 1.477,546 0.851,547 0.511,548 0.29,549 0.113,551 4391,552 10817,553 2.148,554 42.1,556 5,557 1,558 1,559 3,561 6,564 1.655,565 2,566 2.796,567 1.069,568 1,569 1,571 1,573 55.911,574 1.471,575 3.829,576 4.471,577 4.682,578 4.735,579 4.735,580 2.117,581 4.187,582 4.435,583 2.908,584 671.717,585 7.668,586 7131.13,587 1,588 1,589 1,590 1,591 199.421,592 1.437,593 4.388,594 0.14,596 0.078,597 0.054,598 0.039,599 0.027,600 0.016,601 0.014,602 0.013,604 0.38,605 0.5,606 1,607 0.797,608 97.242,609 -0.015,610 -0.053,611 0.053,612 0.019,613 -0.195,614 0.042,615 0.165,616 0.014,617 0.181,618 0.088,619 0.167,620 0.128,621 -0.096,622 -0.069,623 0.053,624 0.046,625 0.033,626 0.067,627 0.131,628 0.084,629 0.044,630 0.029,631 0.132,632 0.025,633 -0.236,634 -0.051,635 -0.229,636 -0.118,637 -0.191,638 -0.163,639 -0.114,640 -0.284,641 -0.19,642 -0.281,643 -0.041,644 -0.253,645 -0.165,646 0.042,647 -0.325,648 -0.175,649 -0.28,650 -0.257,651 -0.055,652 -0.031,653 -0.087,654 -0.067,655 -0.114,656 -0.079,657 1.209,658 2.115,659 0.818,660 13.264,661 1.001,662 1.133,663 3.051,664 9.306,665 0.68,666 3.258,667 3.638,668 4.007,669 4.369,670 4.605,671 4.771,672 4.905,673 5.017,674 4.977,675 5.004,676 4.484,677 0.652,678 292.38,679 3.258,680 4.828,681 5.727,682 6.65,683 7.571,684 8.502,685 9.43,686 10.364,687 11.294,688 12.229,689 15.8,693 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,722 1,731 38,733 20,734 1,735 25,737 41,738 16,739 13,740 3,741 3,746 4,747 6,752 2,758 1,761 13,762 3,777 1,778 1,781 16,782 4,783 3,784 6,790 6,794 0.5,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 2,848 22,849 1,858 1,877 11,878 7.467,879 4.722,880 2.294,881 4.065,882 1.552,883 1.051,884 2.91,885 11.423,886 3.584,887 4.311,888 5.061,889 5.787,890 6.353,891 6.826,892 7.326,893 7.812,894 8.081,895 8.495,896 1,897 38,898 8.075,900 3.487,901 7.614,902 15.517,904 13.019,905 2.114,906 46.5,910 153.024,911 90.497,912 101.693,917 90.497,918 153.024,919 101.693,920 17.65,922 79.85,923 63.72,924 38.269,925 16.243,926 129.482,928 153.024,929 192.19,933 82.398,934 70.627,937 49.303,938 92.653,939 50.234,941 153.024,942 101.693,943 90.497,946 153.024,947 17.276,948 74.998,949 16.786,950 83.131,951 153.024,952 101.693,953 90.497,955 0.592,956 0.365,957 0.216,958 0.118,959 21,960 9,961 0.049,962 2,963 2,964 1.222,965 3.302,966 192.213,967 0.222,968 18,969 96.107,974 13.286,975 4.818,976 1.934,977 3.76,978 83.131,979 11.559,980 13.288,981 3.225,984 2.316,985 1.897,986 49.683,987 345.215,988 35,999 38.029,1000 43.066,1001 0.28,1002 0.73,1003 0.852,1004 0.892,1005 0.902,1006 0.902,1007 4.828,1008 1.106,1009 5.74,1010 3.577,1011 4.317,1012 4.997,1014 6.645,1015 4.242,1016 6.086,1017 1,1018 7.354,1019 2.805,1020 4.007,1021 4.956,1023 7.732,1024 3.908,1025 7.433,1026 0.849,1027 9.074,1028 2.234,1029 5.989,1030 7.388,1032 10.91,1033 5.849,1034 8.827,1035 0.44,1036 10.856,1037 2.138,1038 6.538,1039 8.243,1041 12.847,1042 6.377,1043 10.258,1044 -0.283,1045 12.678,1046 1.133,1047 7.999,1048 10.12,1050 15.549,1051 7.805,1052 11.716,1053 -0.505,1054 14.526,1055 -0.663,1056 8.92,1057 11.371,1059 17.814,1060 8.701,1061 13.195,1062 -0.843,1063 16.394,1064 -1.318,1065 10.196,1066 13.038,1068 20.367,1069 9.948,1070 3.366,1071 -1,1072 18.276,1073 -2,1074 11.274,1075 14.459,1077 22.764,1078 10.999,1079 3.001,1080 12.259,1081 20.169,1082 -2.347,1083 12.488,1084 16.047,1086 25.27,1087 12.185,1088 2.524,1089 10.378,1090 22.07,1091 4.771,1092 13.633,1093 17.539,1095 27.722,1096 13.301,1097 2.25,1098 8.299,1099 23.979,1100 4.409,1101 14.829,1102 19.098,1104 30.217,1105 14.469,1106 1.743,1107 7.079,1108 25.893,1109 3.218,1110 16.003,1111 20.621,1113 32.693,1114 15.613,1115 1.553,1116 4.82,1117 27.812,1118 3.103,1119 17.197,1120 22.17,1122 35.187,1123 16.778,1124 1.539,1125 4.444,1126 29.735,1127 2.331,1128 18.384,1129 23.706,1131 37.675,1132 17.936,1133 4205,1134 6723,1135 16.819,1136 25.841,1137 39.173,1138 38.652,1139 40.302,1140 38.762,1141 38.742,1142 54.217,1144 118.329,1145 37.224,1146 5.471,1147 5.397,1148 6.638,1149 5.408,1150 5.366,1151 7.771,1153 19.954,1154 5.266,1155 9.668,1156 1.567,1157 1.546,1158 1.612,1159 1.55,1160 1.55,1161 2.169,1163 4.733,1164 1.489,1165 4.184,1166 4.224,1167 4.16,1168 4.083,1169 5.258,1170 4.095,1171 4.006,1172 4.056,1173 3.973,1174 3.85,1175 4.981,1176 3.878,1177 3.577,1178 3.655,1179 3.445,1180 3.409,1181 4.838,1182 3.401,1183 3.404,1184 3.464,1185 3.308,1186 3.27,1187 4.507,1188 3.271,1189 3.196,1190 3.278,1191 3.097,1192 2.999,1193 4.28,1194 3.02,1195 3.006,1196 3.115,1197 2.885,1198 2.708,1199 4.07,1200 2.744,1201 2.874,1202 3.009,1203 2.717,1204 2.635,1205 3.738,1206 2.65,1207 2.832,1208 2.909,1209 2.499,1210 2.618,1211 3.594,1212 2.57,1213 0.192,1214 0.136,1215 0.283,1216 0.173,1217 0.135,1218 4.789,1219 0.191,1220 3.397,1222 7.083,1223 0.49,1224 4.335,1225 0.131,1226 3.366,1227 4.771,1229 12.259,1230 3.266,1231 1.97,1232 1.951,1233 2.035,1234 2.051,1235 1.202,1236 2.044,1237 1.806,1238 1.758,1239 1.947,1240 2.003,1241 1.142,1242 1.983,1243 1.619,1244 1.554,1245 1.782,1246 1.825,1247 0.853,1248 1.823,1249 1.48,1250 1.418,1251 1.653,1252 1.691,1253 0.656,1254 1.687,1255 1.12,1256 1.057,1257 1.417,1258 1.391,1259 0.469,1260 1.364,1261 1.013,1262 0.952,1263 1.254,1264 1.239,1265 0.307,1266 1.308,1267 0.934,1268 0.804,1269 1.223,1270 1.205,1271 0.245,1272 1.21,1273 0.857,1274 0.763,1275 1.136,1276 1.186,1277 0.036,1278 1.19,1279 3.932,1281 5.293,1282 3.045,1283 6.858,1284 5.416,1285 8.52,1286 7.564,1287 10.236,1289 4.15,1293 6.115,1299 0.191,1305 24.762,1306 55.911,1307 145.505,1308 169.911,1309 177.911,1310 179.911,1311 179.911,1312 25.625,1313 7.358,1314 85.41,1315 85.41,1316 22,1317 12.728,1318 4.392,1319 3.459,1320 29.55,1321 58,1322 49,1323 0.256,1324 152.021,1325 237.2,1326 362.691,1327 13956,1329 15.267,1330 0.694,1331 0.564,1332 15.267,1333 12.408,1334 10.665,1335 0.427,1336 0.289,1337 7.12,1338 10.271,1339 6.906,1340 5.767,1341 10.665,1342 7.217,1343 9.906,1344 0.268,1345 0.151,1346 9.906,1347 5.589,1348 8.723,1349 0.162,1350 0.071,1351 8.723,1352 3.857,1353 7.943,1354 0.102,1355 0.036,1356 7.943,1357 2.836,1358 6.36,1359 0.064,1360 0.019,1361 6.36,1362 1.88,1363 0.376,1364 66.585,1365 0.244,1366 20.768,1367 0.793,1368 124,1369 320.226,1370 135.157,1371 320.68,1372 462.03,1373 302,1374 153,1375 370.265,1376 165.462,1377 375.625,1378 557.62,1379 355,1380 5.007}
{0 CHEMBL1242758,1 1.449,2 7.25,3 3.395,4 11.529,5 94.896,6 7.581,7 0.714,8 3.878,9 4.014,10 3.484,11 3.436,12 4.949,13 3.424,14 4.422,15 4.595,16 3.88,17 3.879,18 5.423,19 3.843,20 4.672,21 4.908,22 3.888,23 3.952,24 5.586,25 3.885,26 4.65,27 4.886,28 3.933,29 3.929,30 5.674,31 3.882,32 4.596,33 4.808,34 3.844,35 3.919,36 5.59,37 3.863,38 4.58,39 4.786,40 3.826,41 3.91,42 5.592,43 3.847,44 4.65,45 4.889,46 3.655,47 3.864,48 5.64,49 3.755,50 4.607,51 4.903,52 3.106,53 3.682,54 5.38,55 3.48,56 0.059,57 0.712,58 8.477,59 3.399,60 9,61 4.632,62 0.139,63 1.169,64 15.809,65 6.19,66 16.216,67 8.619,68 0.182,69 1.37,70 22.906,71 7.793,72 21.251,73 11.469,74 0.318,75 1.372,76 22.529,77 7.137,78 32.584,79 10.495,80 0.227,81 1.32,82 20.319,83 6.448,84 26.223,85 9.35,86 0.18,87 1.3,88 19.691,89 6.663,90 23.911,91 9.597,92 0.271,93 1.309,94 22.428,95 7.428,96 35.383,97 10.842,98 0.261,99 1.094,100 23.844,101 7.9,102 35.445,103 11.809,104 2,105 41,106 0.249,107 0.646,108 0.765,109 0.83,110 0.838,111 0.838,112 3.231,113 0.898,114 -4.76,115 -4.67,116 -4.39,119 42.9,121 4,127 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 7,177 1,178 1,180 4,183 9,185 1,186 1,187 7,192 2,195 6,198 2,199 10,201 3,202 3,204 2,207 5,209 1,212 9,215 1,217 3,220 5,222 2,224 7,227 1,229 4,232 6,234 4,237 4,240 2,241 1,242 3,244 1,245 8,247 3,255 2,258 6,268 2,271 2,275 742,276 16.845,277 16.845,278 16.845,279 16.845,280 16.845,281 14.581,282 9.487,283 9.844,284 17.152,285 13.858,286 13.858,287 13.858,288 13.858,289 13.858,290 10.413,291 7.5,292 4.643,293 14.363,294 3.944,295 1.638,296 0.952,297 0.571,298 0.524,299 0.524,300 3.945,303 1,304 1,305 1,306 397,307 2.121,310 130.725,311 102.39,314 154.335,318 1.104,319 15.928,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 174,332 4.792,333 3.408,334 7.092,335 4.342,336 3.374,337 4.772,339 12.304,340 3.271,341 4.471,342 3.037,343 6.588,344 3.989,345 3.013,346 4.409,348 10.453,349 2.935,350 3.877,351 2.744,352 6.138,353 3.619,354 2.652,355 3.247,357 8.844,358 2.564,359 3.655,360 2.271,361 5.602,362 3.207,363 2.25,364 3.105,366 7.149,367 2.151,368 3.239,369 2.032,370 5.079,371 2.947,372 1.993,373 2.366,375 5.689,376 1.897,377 3.053,378 1.554,379 4.65,380 2.545,381 1.554,382 2.329,384 4.453,385 1.543,386 3.039,387 1.541,388 4.237,389 2.484,390 1.54,391 2.306,393 3.586,394 1.448,395 2.644,396 1.41,397 4.063,398 2.308,399 1.345,400 1.697,402 3.524,403 1.292,404 2.509,405 1.103,406 3.678,407 2.029,408 1.094,409 1.512,411 2.659,412 1.021,413 2.5,414 1,415 3.403,416 1.969,417 1,418 1.5,420 2.23,421 0.967,422 1.957,423 0.719,424 3.257,425 1.686,426 0.705,427 0.822,428 1.794,429 0.691,430 1.835,431 0.618,432 3.138,433 1.618,434 0.618,435 0.631,436 1.372,437 0.618,438 1.618,439 0.449,440 3,441 1.4,442 0.437,443 0.618,445 1.128,446 0.42,447 1.064,448 -0.151,449 2.563,450 0.639,451 -0.282,452 -0.359,454 -0.661,455 -0.258,456 0.934,457 -0.502,458 2.458,459 0.469,460 -0.504,461 -0.702,463 -1.317,464 -0.491,465 11.4,466 0.475,467 0.518,468 0.022,469 33,470 1.375,471 16.5,472 0.688,473 16.5,474 0.688,475 18.603,476 0.775,477 24.6,478 0.586,479 21.793,480 0.908,481 6.027,482 0.251,483 5.799,484 0.242,485 0.035,487 0.386,493 0.935,494 1.187,495 0.764,496 0.941,497 0.972,498 0.849,499 0.772,500 1.136,501 0.823,502 1.027,503 0.593,504 0.949,505 0.961,506 1.141,507 0.853,508 0.977,509 0.688,510 0.913,511 1.029,512 0.908,513 0.823,514 0.788,515 0.898,516 0.779,517 1.42,518 1.093,519 1.126,520 0.986,521 1.254,522 1.01,523 1.242,524 1.222,525 1.12,526 1.13,527 1.307,528 1.112,529 1.164,530 1.093,531 1.26,532 1.202,533 1.506,534 1.236,535 1.104,536 0.81,537 1.271,538 1.07,539 1.423,540 1.171,541 3,543 2.889,544 1.819,545 1.317,546 0.82,547 0.496,548 0.283,549 0.07,550 0.007,551 6063,552 13477,553 2.262,554 42.9,555 4,556 5,557 1,558 1,559 3,561 4,564 1.679,565 2.182,566 2.905,567 0.998,568 1,569 1,571 1,573 60.85,574 1.449,575 3.754,576 4.44,577 4.821,578 4.869,579 4.869,580 2.277,581 4.22,582 4.56,583 3.033,584 837.167,585 7.918,586 9398.66,587 1,588 1,590 1,591 226.477,592 1.175,593 4.543,594 0.107,596 0.07,597 0.045,598 0.031,599 0.022,600 0.013,601 0.01,602 0.005,603 0.001,604 0.305,605 0.33,606 0.88,607 0.382,608 109.83,609 0.003,610 -0.012,611 0.064,612 0.044,613 -0.038,614 0.059,615 0.144,616 -0.036,617 0.052,618 -0.037,619 0.166,620 -0.011,621 0.018,622 -0.147,623 0.112,624 -0.001,625 0.145,626 0.056,627 0.144,628 0.131,629 0.156,630 0.147,631 0.18,632 0.152,633 -0.257,634 -0.01,635 -0.189,636 -0.056,637 -0.221,638 -0.103,639 -0.173,640 -0.153,641 -0.196,642 -0.18,643 -0.161,644 -0.19,645 -0.094,646 -0.084,647 -0.294,648 -0.254,649 -0.177,650 -0.293,651 -0.218,652 0.06,653 -0.242,654 -0.075,655 -0.336,656 -0.147,657 1.174,658 2.214,659 0.958,660 16.09,661 0.998,662 1.131,663 3.531,664 12.47,665 0.681,666 3.367,667 3.738,668 4.127,669 4.5,670 4.718,671 4.927,672 5.13,673 5.293,674 5.333,675 5.371,676 4.805,677 0.65,678 318.42,679 3.367,680 4.934,681 5.838,682 6.758,683 7.68,684 8.61,685 9.54,686 10.474,687 11.407,688 12.343,689 14.3,693 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,722 1,731 42,733 20,734 1,735 28,737 46,738 18,739 13,740 3,741 3,746 5,747 7,755 5,758 5,761 13,762 5,777 1,778 1,781 18,782 4,783 3,784 6,790 6,794 0.6,803 1,806 1,807 1,811 3,812 2,815 2,840 3,848 24,849 1,854 4,858 1,877 11,878 7.467,879 5.139,880 2.711,881 4.012,882 1.519,883 1.084,884 3.101,885 11.748,886 3.664,887 4.363,888 5.104,889 5.826,890 6.39,891 6.88,892 7.404,893 7.901,894 8.201,895 8.614,896 0.8,897 40,898 8.861,900 3.923,901 7.521,902 17.368,904 15.208,905 2.021,906 48.5,909 1,910 176.567,911 82.985,912 101.693,917 82.985,918 176.567,919 101.693,921 10.138,922 79.85,923 63.72,924 38.269,925 16.243,926 153.024,928 176.567,929 184.678,933 129.482,934 47.084,937 41.791,938 92.653,939 50.234,941 176.567,942 101.693,943 82.985,946 176.567,947 27.414,948 57.348,949 16.786,950 83.131,951 176.567,952 101.693,953 82.985,955 0.586,956 0.365,957 0.22,958 0.113,959 24,960 9,961 0.043,962 2,963 2,964 1.174,965 3.584,966 222.557,967 0.174,968 23,969 106.039,974 13.996,975 5.317,976 2.083,977 3.931,978 83.131,979 11.744,980 13.661,981 3.257,984 2.434,985 2.071,986 49.683,987 361.245,988 38,999 41.912,1000 47.481,1001 0.269,1002 0.696,1003 0.823,1004 0.894,1005 0.903,1006 0.903,1007 4.913,1008 1.345,1009 5.832,1010 3.586,1011 4.419,1012 5.05,1014 6.727,1015 4.351,1016 6.145,1017 1.094,1018 7.433,1019 3.524,1020 4.007,1021 4.956,1023 7.784,1024 3.908,1025 7.483,1026 1,1027 9.142,1028 2.659,1029 6.075,1030 7.41,1032 10.976,1033 5.946,1034 8.869,1035 0.705,1036 10.916,1037 2.23,1038 6.581,1039 8.251,1041 12.906,1042 6.423,1043 10.295,1044 0.618,1045 12.733,1046 1.794,1047 8.07,1048 10.129,1050 15.609,1051 7.883,1052 11.748,1053 0.437,1054 14.579,1055 1.372,1056 8.971,1057 11.376,1059 17.871,1060 8.756,1061 13.224,1062 -0.282,1063 16.444,1064 1.128,1065 10.256,1066 13.043,1068 20.424,1069 10.012,1070 3.374,1071 -0.504,1072 18.325,1073 -0.661,1074 11.325,1075 14.463,1077 22.82,1078 11.052,1079 3.013,1080 12.304,1081 20.216,1082 -1.317,1083 12.542,1084 16.05,1086 25.327,1087 12.24,1088 2.652,1089 10.453,1090 22.117,1091 4.772,1092 13.682,1093 17.542,1095 27.779,1096 13.35,1097 2.25,1098 8.844,1099 24.024,1100 4.409,1101 14.879,1102 19.101,1104 30.275,1105 14.517,1106 1.993,1107 7.149,1108 25.938,1109 3.247,1110 16.051,1111 20.623,1113 32.752,1114 15.658,1115 1.554,1116 5.689,1117 27.856,1118 3.105,1119 17.246,1120 22.172,1122 35.247,1123 16.822,1124 1.54,1125 4.453,1126 29.779,1127 2.366,1128 18.432,1129 23.709,1131 37.737,1132 17.978,1133 5543,1134 8409,1135 19.592,1136 28.603,1137 43.093,1138 43.029,1139 43.707,1140 43.218,1141 43.151,1142 58.624,1144 130.373,1145 41.637,1146 5.694,1147 5.408,1148 6.687,1149 5.417,1150 5.374,1151 7.772,1153 20.024,1154 5.271,1155 5.809,1156 1.539,1157 1.537,1158 1.561,1159 1.543,1160 1.541,1161 2.094,1163 4.656,1164 1.487,1165 4.191,1166 4.231,1167 4.165,1168 4.086,1169 5.258,1170 4.099,1171 4.019,1172 4.068,1173 3.979,1174 3.874,1175 4.981,1176 3.895,1177 3.79,1178 3.849,1179 3.665,1180 3.672,1181 4.836,1182 3.664,1183 3.406,1184 3.468,1185 3.319,1186 3.27,1187 4.505,1188 3.271,1189 3.271,1190 3.358,1191 3.189,1192 3.023,1193 4.284,1194 3.056,1195 3.04,1196 3.126,1197 2.947,1198 2.84,1199 4.164,1200 2.858,1201 2.881,1202 2.979,1203 2.742,1204 2.671,1205 3.759,1206 2.653,1207 2.869,1208 2.976,1209 2.583,1210 2.635,1211 3.596,1212 2.635,1213 0.171,1214 0.122,1215 0.253,1216 0.155,1217 0.12,1218 4.792,1219 0.17,1220 3.408,1222 7.092,1223 0.439,1224 4.342,1225 0.117,1226 3.374,1227 4.772,1229 12.304,1230 3.271,1231 1.97,1232 1.951,1233 2.035,1234 2.05,1235 1.244,1236 2.043,1237 1.8,1238 1.754,1239 1.894,1240 1.991,1241 1.211,1242 1.964,1243 1.596,1244 1.537,1245 1.86,1246 1.798,1247 1.198,1248 1.793,1249 1.577,1250 1.507,1251 1.759,1252 1.751,1253 0.864,1254 1.789,1255 1.478,1256 1.417,1257 1.652,1258 1.686,1259 0.656,1260 1.683,1261 1.115,1262 1.055,1263 1.249,1264 1.37,1265 0.312,1266 1.348,1267 1.013,1268 0.952,1269 1.222,1270 1.204,1271 0.262,1272 1.21,1273 0.857,1274 0.765,1275 1.136,1276 1.186,1277 0.094,1278 1.19,1279 4.043,1281 5.398,1282 3.434,1283 6.954,1284 5.733,1285 8.608,1286 7.811,1287 10.318,1293 6.214,1295 4.785,1299 0.404,1305 27.289,1306 60.85,1307 157.683,1308 186.477,1309 202.477,1310 204.477,1311 204.477,1312 27.886,1313 7.736,1314 85.41,1315 85.41,1316 27,1317 12.842,1318 4.392,1319 3.459,1320 29.982,1321 68,1322 61,1323 0.219,1324 163.812,1325 259.44,1326 391.462,1327 22480,1329 16.096,1330 0.671,1331 0.552,1332 16.096,1333 13.236,1334 11.826,1335 0.422,1336 0.299,1337 8.282,1338 11.441,1339 8.162,1340 6.724,1341 11.826,1342 8.379,1343 10.707,1344 0.261,1345 0.157,1346 10.707,1347 6.433,1348 9.872,1349 0.162,1350 0.083,1351 9.872,1352 5.039,1353 9.104,1354 0.102,1355 0.044,1356 9.104,1357 3.879,1358 6.989,1359 0.063,1360 0.02,1361 6.989,1362 2.271,1363 0.324,1364 73.556,1365 0.226,1366 22.536,1367 0.668,1368 138,1369 334.226,1370 149.157,1371 334.201,1372 484.19,1373 316,1374 171,1375 388.265,1376 183.795,1377 392.896,1378 586.5,1379 373,1380 5.517}
{0 CHEMBL1242844,1 1.693,2 9.12,3 1.791,4 3.207,5 94.281,6 7.782,7 0.571,8 3.92,9 4.053,10 3.515,11 3.402,12 5.078,13 3.41,14 4.454,15 4.635,16 3.894,17 3.821,18 5.567,19 3.805,20 4.742,21 4.967,22 3.969,23 3.946,24 5.905,25 3.9,26 4.783,27 5.042,28 3.879,29 3.895,30 5.825,31 3.833,32 4.668,33 4.921,34 3.821,35 3.832,36 5.691,37 3.784,38 4.596,39 4.807,40 3.846,41 3.84,42 5.756,43 3.801,44 4.638,45 4.864,46 3.778,47 3.816,48 5.805,49 3.743,50 4.598,51 4.843,52 3.535,53 3.667,54 5.797,55 3.564,56 0.126,57 0.786,58 8.763,59 3.581,60 14.927,61 4.708,62 0.261,63 1.246,64 16.543,65 6.168,66 25.38,67 8.453,68 0.514,69 1.464,70 24.964,71 8.068,72 70.473,73 11.657,74 0.576,75 1.41,76 27.655,77 8.052,78 62.104,79 11.968,80 0.494,81 1.262,82 24.005,83 6.43,84 44.281,85 10.148,86 0.457,87 1.295,88 20.421,89 6.11,90 45.327,91 9.03,92 0.492,93 1.284,94 22.301,95 7.431,96 54.291,97 10.758,98 0.561,99 1.171,100 22.819,101 6.97,102 80.871,103 10.15,104 10,105 40,106 0.293,107 0.691,108 0.81,109 0.85,110 0.85,111 0.85,112 3.268,113 0.889,114 -4.5,115 -4.42,116 -4.17,119 38.6,121 2,122 1,125 3,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 5,174 2,175 6,177 1,178 1,180 4,183 4,185 1,186 1,187 6,192 3,195 3,198 2,199 8,201 3,202 3,204 2,207 2,209 1,212 7,215 2,217 3,220 3,222 2,224 3,227 2,229 2,232 4,234 2,237 2,240 3,241 1,242 3,244 1,245 5,247 2,255 2,258 2,266 1,267 1,268 4,270 1,275 865,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.039,282 16.772,283 9.976,284 17.397,285 13.827,286 13.827,287 13.827,288 13.827,289 13.827,290 10.889,291 13.729,292 4.758,293 14.509,294 3.766,295 1.462,296 0.779,297 0.545,298 0.545,299 0.545,300 3.966,303 1,304 1,305 1,306 498,307 2.345,310 48.484,311 201.759,314 93.016,318 1.344,319 32.136,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 228,332 4.747,333 3.355,334 7.003,335 4.283,336 3.318,337 4.724,338 0.4,339 11.965,340 3.204,341 4.212,342 3.156,343 6.087,344 3.774,345 2.819,346 3.878,348 8.784,349 2.687,350 3.765,351 2.664,352 5.824,353 3.55,354 2.574,355 3.156,357 7.872,358 2.514,359 3.678,360 2.457,361 5.611,362 3.279,363 2.329,364 3.083,366 7.261,367 2.196,368 3.416,369 2.309,370 5.266,371 3.155,372 2.211,373 2.471,375 6.509,376 2.082,377 2.999,378 1.87,379 4.471,380 2.461,381 1.532,382 2.236,384 4.169,385 1.42,386 2.82,387 1.751,388 4.432,389 2.437,390 1.497,391 1.948,393 3.949,394 1.403,395 2.748,396 1.534,397 4.038,398 2.365,399 1.414,400 1.829,402 3.512,403 1.333,404 2.493,405 1.365,406 3.691,407 2.186,408 1.24,409 1.491,411 2.989,412 1.169,413 2.365,414 1.077,415 3.557,416 1.984,417 1.011,418 1.344,420 2.508,421 0.983,422 2,423 1.077,424 3.247,425 1.94,426 1,427 1,428 2.136,429 0.935,430 1.373,431 0.59,432 2.841,433 0.998,434 0.109,435 0.131,436 0.241,437 0.094,438 1.163,439 0.093,440 2.736,441 0.914,442 -0.037,443 -0.042,445 -0.099,446 -0.035,447 0.961,448 -0.201,449 2.411,450 0.587,451 -0.333,452 -0.413,454 -0.773,455 -0.306,456 0.778,457 -0.298,458 2.375,459 0.353,460 -0.595,461 -0.768,463 -1.604,464 -0.555,465 11.519,466 0.461,467 0.627,468 0.025,469 32,470 1.28,471 15,472 0.6,473 17,474 0.68,475 20.185,476 0.807,477 27.481,478 0.625,479 23.367,480 0.935,481 6.117,482 0.245,483 6.014,484 0.241,485 0.088,487 0.382,491 1,493 0.798,494 1.171,495 0.757,496 1.027,497 0.739,498 0.905,499 0.708,500 1.071,501 0.805,502 1.047,503 0.536,504 0.961,505 0.771,506 1.128,507 0.861,508 1.071,509 0.635,510 0.999,511 0.856,512 0.919,513 0.907,514 0.921,515 0.772,516 0.921,517 0.781,518 0.805,519 0.887,520 0.772,521 0.515,522 0.814,523 0.854,524 0.946,525 1.082,526 1.038,527 0.775,528 1.078,529 0.656,530 1.026,531 0.989,532 1.203,533 0.722,534 1.183,535 0.931,536 0.961,537 1.163,538 1.213,539 1.035,540 1.249,541 4.5,542 0.066,543 2.889,544 1.979,545 1.673,546 0.744,547 0.7,548 0.455,549 0.185,550 0.134,551 6723,552 19164,553 2.13,554 43.2,556 9,558 1,559 4,561 5,564 1.687,565 2,566 3.171,567 1.815,568 1,569 1,571 1,573 74.508,574 1.693,575 3.998,576 4.681,577 4.914,578 4.914,579 4.914,580 2.663,581 4.164,582 4.613,583 3.291,584 987.174,585 8.013,586 11579.5,588 1,590 1,591 240.215,592 1.388,593 4.579,594 0.161,595 0.008,596 0.072,597 0.048,598 0.045,599 0.021,600 0.019,601 0.014,602 0.008,603 0.01,604 0.407,605 0.17,606 1,607 0.553,608 118.208,609 -0.083,610 -0.052,611 0.024,612 0.046,613 -0.078,614 0.057,615 -0.003,616 -0.025,617 0.036,618 -0.015,619 0.059,620 0.013,621 0.072,622 -0.156,623 0.071,624 -0.065,625 0.169,626 -0.007,627 -0.004,628 0.001,629 0.069,630 0.029,631 0.003,632 0.057,633 -0.066,634 0.037,635 0.055,636 0.145,637 0.012,638 0.142,639 -0.061,640 0.039,641 -0.192,642 -0.089,643 -0.068,644 -0.148,645 0.158,646 -0.083,647 -0.063,648 -0.203,649 0.083,650 -0.193,651 0.057,652 -0.031,653 -0.18,654 -0.229,655 0.032,656 -0.262,657 2.341,658 5.391,659 0.84,660 20.496,661 1.014,662 1.146,663 3.268,664 10.677,665 0.654,666 3.367,667 3.714,668 4.025,669 4.331,670 4.605,671 4.71,672 4.89,673 5.056,674 5.112,675 5.112,676 5.461,677 0.634,678 342.42,679 3.367,680 4.92,681 5.79,682 6.686,683 7.579,684 8.485,685 9.39,686 10.302,687 11.214,688 12.131,689 13.6,691 1,693 1,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 1,728 1,730 1,731 44,733 16,734 1,735 28,737 47,738 17,739 11,740 3,741 3,746 4,747 5,755 2,756 1,758 2,761 11,762 6,763 1,777 1,778 1,779 1,781 19,782 7,783 4,784 8,790 6,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,835 1,840 3,846 1,848 25,849 1,853 1,854 5,855 1,858 1,869 1,870 2.3,872 1,877 12.5,878 7.643,879 5.417,880 2.649,881 3.051,882 1.41,883 0.997,884 4.277,885 10.489,886 3.611,887 4.259,888 4.912,889 5.567,890 6.152,891 6.549,892 7.016,893 7.48,894 7.76,895 8.022,896 1,897 41,898 9.271,900 4.097,901 7.9,902 17.533,904 14.847,905 2.4,906 60,910 176.567,911 70.113,912 102.919,914 42.683,915 14.96,917 70.113,918 219.25,919 117.879,921 11.386,922 79.337,923 106.404,924 28.031,925 17.288,926 164.795,928 176.567,929 173.032,930 57.643,933 132.671,934 101.539,937 44.264,938 78.533,939 50.234,941 191.527,942 145.602,943 70.113,946 176.567,947 33.066,948 38.824,949 18.011,950 140.775,951 176.567,952 160.562,953 70.113,955 0.586,956 0.349,957 0.19,958 0.11,959 21,960 9,961 0.064,962 3,963 1,964 1.095,965 3.651,966 218.75,967 0.095,968 21,969 112.096,974 16.246,975 6.581,976 3.054,977 1.285,978 158.785,979 5.545,980 13.077,984 0.354,985 1.846,986 93.591,987 407.242,988 36,999 44.636,1000 50.445,1001 0.31,1002 0.732,1003 0.857,1004 0.9,1005 0.9,1006 0.9,1007 4.86,1008 1.414,1009 5.784,1010 3.949,1011 4.394,1012 4.945,1013 0.278,1014 6.629,1015 4.303,1016 6.078,1017 1.24,1018 7.362,1019 3.512,1020 4.007,1021 4.856,1023 7.594,1024 3.871,1025 7.402,1026 1.011,1027 9.043,1028 2.989,1029 6.014,1030 7.23,1031 0.05,1032 10.748,1033 5.85,1034 8.767,1035 1,1036 10.786,1037 2.508,1038 6.463,1039 8.021,1041 12.592,1042 6.257,1043 10.169,1044 0.109,1045 12.569,1046 2.136,1047 7.946,1048 9.879,1049 0.008,1050 15.277,1051 7.714,1052 11.599,1053 -0.037,1054 14.382,1055 0.241,1056 8.786,1057 11.081,1059 17.496,1060 8.514,1061 13.051,1062 -0.333,1063 16.216,1064 -0.099,1065 10.066,1066 12.739,1067 0.001,1068 20.033,1069 9.766,1070 3.318,1071 -0.595,1072 18.068,1073 -0.773,1074 11.09,1075 14.13,1077 22.409,1078 10.753,1079 2.819,1080 11.965,1081 19.934,1082 -1.604,1083 12.297,1084 15.712,1086 24.902,1087 11.93,1088 2.574,1089 8.784,1090 21.811,1091 4.724,1092 13.407,1093 17.188,1095 27.341,1096 13.004,1097 2.329,1098 7.872,1099 23.699,1100 3.878,1101 14.592,1102 18.744,1104 29.823,1105 14.158,1106 2.211,1107 7.261,1108 25.595,1109 3.156,1110 15.744,1111 20.259,1113 32.287,1114 15.274,1115 1.532,1116 6.509,1117 27.499,1118 3.083,1119 16.925,1120 21.807,1122 34.767,1123 16.423,1124 1.497,1125 4.169,1126 29.408,1127 2.471,1128 18.097,1129 23.34,1131 37.241,1132 17.56,1133 6407,1134 10991,1135 18.898,1136 28.756,1137 42.373,1138 43.008,1139 43.599,1140 42.108,1141 42.108,1142 54.583,1143 0.8,1144 123.793,1145 40.041,1146 5.747,1147 5.355,1148 6.805,1149 5.356,1150 5.318,1151 7.724,1152 0.8,1153 19.353,1154 5.204,1155 10.851,1156 1.513,1157 1.536,1158 1.557,1159 1.504,1160 1.504,1161 1.949,1162 0.029,1163 4.421,1164 1.43,1165 4.135,1166 4.183,1167 4.116,1168 3.994,1169 8.201,1170 4.017,1171 3.86,1172 3.905,1173 3.81,1174 3.746,1175 6.465,1176 3.754,1177 3.809,1178 3.856,1179 3.693,1180 3.666,1181 5.254,1182 3.668,1183 3.376,1184 3.472,1185 3.297,1186 3.096,1187 4.868,1188 3.13,1189 3.13,1190 3.206,1191 3.049,1192 2.941,1193 4.572,1194 2.958,1195 3.111,1196 3.197,1197 2.866,1198 2.94,1199 4.406,1200 2.91,1201 2.991,1202 3.107,1203 2.847,1204 2.746,1205 4.336,1206 2.749,1207 2.93,1208 2.971,1209 2.803,1210 2.678,1211 3.749,1212 2.71,1213 0.17,1214 0.12,1215 0.25,1216 0.153,1217 0.118,1218 4.747,1219 0.169,1220 3.355,1221 0.014,1222 7.003,1223 0.427,1224 4.283,1225 0.114,1226 3.318,1227 4.724,1228 0.4,1229 11.965,1230 3.204,1231 1.923,1232 1.904,1233 2.067,1234 2.061,1235 1.442,1236 2.061,1237 1.865,1238 1.808,1239 1.984,1240 2.015,1241 1.111,1242 2.007,1243 1.736,1244 1.692,1245 1.811,1246 1.921,1247 0.921,1248 1.898,1249 1.369,1250 1.29,1251 1.569,1252 1.662,1253 0.825,1254 1.632,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.751,1260 1.429,1261 1.065,1262 1.004,1263 1.239,1264 1.313,1265 0.358,1266 1.304,1267 0.883,1268 0.839,1269 1.152,1270 1.231,1271 0.193,1272 1.208,1273 0.871,1274 0.774,1275 1.121,1276 1.136,1277 0.117,1278 1.131,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.844,1285 8.549,1286 7.066,1287 10.227,1291 13.391,1293 6.058,1294 9.692,1295 4.893,1296 3.351,1299 0.509,1305 27.914,1306 74.508,1307 175.897,1308 205.95,1309 216.215,1310 216.215,1311 216.215,1312 45.408,1313 7.438,1314 101.88,1315 101.88,1316 23,1317 12.643,1318 4.087,1319 3.17,1320 35.646,1321 81,1322 84,1323 0.22,1324 169.735,1325 282.9,1326 405.914,1327 15639,1328 2.3,1329 17.389,1330 0.696,1331 0.545,1332 16.518,1333 13.614,1334 12.131,1335 0.433,1336 0.296,1337 8.153,1338 11.556,1339 8.052,1340 6.622,1341 11.72,1342 8.298,1343 11.076,1344 0.277,1345 0.159,1346 10.581,1347 6.348,1348 9.628,1349 0.175,1350 0.085,1351 8.966,1352 4.668,1353 8.06,1354 0.107,1355 0.044,1356 7.952,1357 3.329,1358 6.83,1359 0.069,1360 0.024,1361 6.63,1362 2.372,1363 0.333,1364 76.91,1365 0.23,1366 23.787,1367 0.643,1368 136,1369 440.486,1370 152.425,1371 403.408,1372 549.01,1373 376,1374 163,1375 410.431,1376 180.641,1377 407.612,1378 601.17,1379 384,1380 5.28}
{0 CHEMBL1242845,1 1.716,2 11.516,3 3.509,4 12.315,5 115.43,6 8.676,7 0.771,8 4.029,9 4.15,10 3.721,11 3.55,12 5.294,13 3.575,14 4.495,15 4.649,16 4.112,17 3.92,18 5.748,19 3.944,20 4.688,21 4.863,22 4.174,23 3.992,24 6.026,25 4.009,26 4.767,27 4.979,28 4.113,29 3.983,30 5.988,31 3.984,32 4.706,33 4.917,34 4.078,35 3.986,36 5.862,37 3.975,38 4.712,39 4.901,40 4.087,41 4.006,42 5.939,43 3.99,44 4.797,45 5.03,46 4.032,47 3.965,48 6.002,49 3.922,50 4.693,51 4.923,52 3.93,53 3.824,54 6.007,55 3.797,56 0.189,57 0.89,58 7.256,59 3.685,60 14.878,61 4.1,62 0.302,63 1.382,64 13.266,65 5.856,66 23.304,67 6.994,68 0.562,69 1.591,70 17.989,71 6.692,72 61.862,73 7.898,74 0.701,75 1.635,76 21.646,77 6.794,78 60.181,79 8.092,80 0.537,81 1.492,82 20.419,83 6.827,84 44.052,85 8.824,86 0.51,87 1.559,88 18.405,89 6.911,90 45.056,91 8.58,92 0.642,93 1.566,94 24.927,95 8.65,96 63.474,97 11.848,98 0.729,99 1.461,100 22.701,101 7.239,102 80.447,103 9.386,104 17,105 51,106 0.284,107 0.667,108 0.782,109 0.858,110 0.868,111 0.868,112 3.473,113 0.81,114 -5.17,115 -5.07,116 -4.74,119 43.8,120 1,125 1,142 8,143 2,144 3,146 3,147 1,148 1,161 1,163 1,164 1,165 1,166 3,172 7,174 3,175 8,177 1,178 1,180 2,183 7,185 1,186 2,187 11,192 2,195 5,198 5,199 11,201 3,202 3,204 2,207 1,209 1,211 3,212 9,215 1,217 3,220 2,222 2,223 2,224 8,227 1,229 1,232 3,234 1,236 1,237 8,239 1,240 3,241 1,244 1,245 2,249 2,250 11,252 2,253 2,255 1,258 4,260 1,263 5,266 1,271 5,275 1624,276 21.016,277 21.016,278 21.016,279 21.016,280 21.016,281 17.721,282 21.267,283 12.169,284 21.442,285 17.276,286 17.276,287 17.276,288 17.276,289 17.276,290 12.396,291 26.169,292 5.796,293 18.029,294 3.869,295 1.56,296 0.865,297 0.406,298 0.349,299 0.349,300 4.179,304 1,305 1,306 790,307 2.646,310 141.021,311 266.875,314 122.594,318 1.63,319 37.131,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.5,331 357,332 4.749,333 3.377,334 7.004,335 4.286,336 3.321,337 4.725,338 0.522,339 11.968,340 3.205,341 4.4,342 3.197,343 6.332,344 3.991,345 3.027,346 4.097,348 9.713,349 2.916,350 4.21,351 3.137,352 6.084,353 3.767,354 2.813,355 3.877,357 8.771,358 2.677,359 3.912,360 2.75,361 5.883,362 3.525,363 2.556,364 3.431,366 8.11,367 2.476,368 3.695,369 2.471,370 5.756,371 3.286,372 2.337,373 3.12,375 7.546,376 2.202,377 3.653,378 2.386,379 5.543,380 3.204,381 2.263,382 3.077,384 6.954,385 2.124,386 3.155,387 1.871,388 4.536,389 2.707,390 1.717,391 2.422,393 4.436,394 1.699,395 2.999,396 1.782,397 4.468,398 2.453,399 1.52,400 2.237,402 4.141,403 1.414,404 2.82,405 1.702,406 4.354,407 2.404,408 1.456,409 1.948,411 3.989,412 1.376,413 2.808,414 1.531,415 4.106,416 2.365,417 1.414,418 1.914,420 3.513,421 1.332,422 2.579,423 1.281,424 4.038,425 2.105,426 1.154,427 1.611,428 3.317,429 1.095,430 2.521,431 1.081,432 3.658,433 2.032,434 1.042,435 1.531,436 2.573,437 1.031,438 2.5,439 1.052,440 3.483,441 2,442 1,443 1.5,445 2.489,446 1,447 2.422,448 1,449 3.247,450 1.925,451 0.99,452 1.391,454 2.136,455 0.922,456 1.374,457 0.589,458 2.928,459 0.994,460 0.107,461 0.13,463 0.237,464 0.093,465 14.319,466 0.462,467 0.836,468 0.027,469 45.75,470 1.476,471 25,472 0.806,473 20.75,474 0.669,475 22.598,476 0.729,477 31.881,478 0.664,479 36.373,480 1.173,481 9.263,482 0.299,483 5.745,484 0.185,485 0.106,487 0.405,491 1,493 0.726,494 1.015,495 0.66,496 0.911,497 0.772,498 0.802,499 0.715,500 1.143,501 0.654,502 0.996,503 0.594,504 0.847,505 0.99,506 1.251,507 0.919,508 1.067,509 0.831,510 0.985,511 1.148,512 0.915,513 1.14,514 0.886,515 0.998,516 0.965,517 0.789,518 0.874,519 0.906,520 0.847,521 0.537,522 0.873,523 0.805,524 1.039,525 1.058,526 1.132,527 0.754,528 1.141,529 0.644,530 0.986,531 0.867,532 1.071,533 0.642,534 1.039,535 0.965,536 0.855,537 1.01,538 0.957,539 0.959,540 0.994,541 6,542 0.169,543 4,544 2.646,545 2.043,546 1.102,547 0.859,548 0.664,549 0.37,550 0.285,551 12923,552 39888,553 2.14,554 35.4,556 10,558 1,559 3,560 3,564 1.74,565 2,566 3.475,567 0.94,569 1,573 82.353,574 1.716,575 4.025,576 4.72,577 5.179,578 5.236,579 5.236,580 2.906,581 4.761,582 4.924,583 3.619,584 1683.06,585 8.623,586 23308.9,588 1,590 1,591 268.078,592 1.418,593 4.886,594 0.171,595 0.006,596 0.078,597 0.051,598 0.043,599 0.023,600 0.018,601 0.015,602 0.01,603 0.01,604 0.425,605 0.17,606 0.88,607 0.541,608 159.354,609 -0.009,610 0.027,611 0.031,612 0.04,613 -0.133,614 0.038,615 0.025,616 -0.128,617 0.127,618 -0.049,619 0.029,620 0.036,621 -0.023,622 -0.207,623 -0.047,624 -0.133,625 0.082,626 -0.1,627 -0.156,628 0.109,629 -0.203,631 -0.13,632 -0.086,633 -0.056,634 0.009,635 0.009,636 0.075,637 0.022,638 0.068,639 -0.03,640 -0.091,641 -0.191,642 -0.204,643 -0.066,644 -0.229,645 0.191,646 -0.12,647 0.16,648 -0.08,649 0.15,650 0.002,651 0.099,652 0.08,653 0.036,654 0.005,655 0.109,656 -0.004,657 2.384,658 5.545,659 0.839,660 29.819,661 1.022,662 1.138,663 3.944,664 15.558,665 0.693,666 3.584,667 3.951,668 4.277,669 4.585,670 4.844,671 4.97,672 5.159,673 5.347,674 5.464,675 5.557,676 6.67,677 0.685,678 416.46,679 3.584,680 5.153,681 6.033,682 6.936,683 7.836,684 8.746,685 9.655,686 10.569,687 11.483,688 12.4,689 16.7,693 1,697 2,699 5,703 2,704 9,705 5,709 8,710 2,711 27,722 1,728 1,730 1,731 48,733 27,734 2,735 35,737 52,738 21,739 19,740 4,741 8,746 5,747 6,752 1,761 19,762 2,778 1,779 1,781 17,782 8,783 3,784 10,790 8,794 0.8,795 1,803 1,806 1,811 2,812 3,815 1,840 4,844 1,846 1,848 31,849 1,853 1,854 1,867 1,869 1,870 2.1,872 1,877 15.5,878 9.076,879 6.639,880 2.678,881 4.761,882 1.582,883 1.024,884 4.7,885 12.949,886 3.902,887 4.6,888 5.27,889 5.927,890 6.484,891 6.868,892 7.368,893 7.868,894 8.256,895 8.64,896 0.875,897 52,898 11.42,900 5.032,901 7.925,902 21.196,904 17.494,905 2.425,906 75.167,909 1,910 164.795,911 125.309,912 119.888,914 42.683,915 14.96,917 125.309,918 207.479,919 134.848,920 8.825,921 2.106,922 108.707,923 139.73,924 37.956,925 17.288,926 153.024,928 164.795,929 245.197,930 57.643,933 179.756,934 42.683,937 32.966,938 128.671,939 83.56,941 179.756,942 162.571,943 125.309,946 164.795,947 32.055,948 96.684,950 174.101,951 164.795,952 177.531,953 125.309,955 0.593,956 0.356,957 0.193,958 0.11,959 27,960 12,961 0.077,962 4,963 1,964 1.077,965 4.171,966 298.954,967 0.077,968 26,969 149.58,974 19.31,975 7.546,976 3.44,977 1.015,978 174.101,979 14.933,980 22.116,984 2.276,985 3.216,986 75.581,987 467.636,988 48.5,999 49.072,1000 54.612,1001 0.307,1002 0.721,1003 0.845,1004 0.927,1005 0.938,1006 0.938,1007 5.146,1008 1.52,1009 6.038,1010 4.436,1011 4.635,1012 5.288,1013 0.434,1014 6.897,1015 4.551,1016 6.394,1017 1.456,1018 7.627,1019 4.141,1020 4.29,1021 5.173,1023 7.87,1024 4.152,1025 7.727,1026 1.414,1027 9.316,1028 3.989,1029 6.275,1030 7.597,1031 0.138,1032 11.013,1033 6.115,1034 9.1,1035 1.154,1036 11.063,1037 3.513,1038 6.758,1039 8.334,1041 12.838,1042 6.546,1043 10.506,1044 1.042,1045 12.848,1046 3.317,1047 8.222,1048 10.214,1049 0.039,1050 15.503,1051 7.988,1052 11.936,1053 1,1054 14.658,1055 2.573,1056 9.077,1057 11.358,1059 17.689,1060 8.797,1061 13.385,1062 0.99,1063 16.488,1064 2.489,1065 10.344,1066 13.018,1067 0.011,1068 20.204,1069 10.038,1070 3.321,1071 0.107,1072 18.333,1073 2.136,1074 11.368,1075 14.362,1077 22.55,1078 11.021,1079 3.027,1080 11.968,1081 20.19,1082 0.237,1083 12.563,1084 15.934,1085 0.003,1086 25.023,1087 12.187,1088 2.813,1089 9.713,1090 22.057,1091 4.725,1092 13.666,1093 17.376,1095 27.44,1096 13.252,1097 2.556,1098 8.771,1099 23.933,1100 4.097,1101 14.839,1102 18.917,1103 0.001,1104 29.906,1105 14.394,1106 2.337,1107 8.11,1108 25.817,1109 3.877,1110 15.979,1111 20.408,1113 32.355,1114 15.498,1115 2.263,1116 7.546,1117 27.707,1118 3.431,1119 17.149,1120 21.941,1122 34.823,1123 16.634,1124 1.717,1125 6.954,1126 29.603,1127 3.12,1128 18.308,1129 23.456,1131 37.288,1132 17.759,1133 12042,1134 21352,1135 23.581,1136 33.245,1137 54.049,1138 54.188,1139 55.412,1140 53.457,1141 53.436,1142 74.024,1143 1.043,1144 159.782,1145 51.124,1146 5.541,1147 5.377,1148 6.806,1149 5.36,1150 5.321,1151 7.725,1152 1.043,1153 19.363,1154 5.205,1155 14.581,1156 1.544,1157 1.548,1158 1.583,1159 1.527,1160 1.527,1161 2.115,1162 0.03,1163 4.565,1164 1.461,1165 4.143,1166 4.193,1167 4.127,1168 3.997,1169 8.201,1170 4.022,1171 3.982,1172 4.034,1173 3.949,1174 3.854,1175 6.465,1176 3.864,1177 3.843,1178 3.87,1179 3.807,1180 3.728,1181 5.258,1182 3.744,1183 3.731,1184 3.778,1185 3.667,1186 3.589,1187 5.069,1188 3.607,1189 3.342,1190 3.435,1191 3.283,1192 3.052,1193 4.858,1194 3.096,1195 3.08,1196 3.171,1197 3.019,1198 2.896,1199 4.667,1200 2.912,1201 3.062,1202 3.139,1203 2.882,1204 2.84,1205 4.571,1206 2.842,1207 2.935,1208 3.033,1209 2.805,1210 2.746,1211 4.368,1212 2.748,1213 0.136,1214 0.096,1215 0.2,1216 0.122,1217 0.095,1218 4.749,1219 0.135,1220 3.377,1221 0.015,1222 7.004,1223 0.342,1224 4.286,1225 0.092,1226 3.321,1227 4.725,1228 0.522,1229 11.968,1230 3.205,1231 1.922,1232 1.903,1233 2.01,1234 2.033,1235 1.115,1236 2.014,1237 1.892,1238 1.859,1239 1.985,1240 2.007,1241 1.069,1242 2.006,1243 1.779,1244 1.736,1245 1.861,1246 1.967,1247 1.031,1248 1.941,1249 1.605,1250 1.557,1251 1.754,1252 1.785,1253 0.825,1254 1.776,1255 1.325,1256 1.245,1257 1.547,1258 1.608,1259 0.651,1260 1.591,1261 1.132,1262 1.063,1263 1.227,1264 1.452,1265 0.255,1266 1.388,1267 0.988,1268 0.919,1269 1.181,1270 1.232,1271 0.218,1272 1.225,1273 0.886,1274 0.839,1275 1.181,1276 1.218,1277 0.21,1278 1.2,1279 4.263,1281 5.617,1282 3.045,1283 7.162,1284 5.476,1285 8.792,1286 7.636,1287 10.467,1289 1.871,1291 13.545,1293 6.106,1294 9.799,1295 0.29,1305 32.903,1306 82.353,1307 193.184,1308 226.568,1309 248.568,1310 251.323,1311 251.323,1312 53.413,1313 8.187,1314 120.56,1315 120.56,1316 28,1317 12.911,1318 4.807,1319 3.858,1320 43.486,1321 122,1322 133,1323 0.172,1324 199.663,1325 326.74,1326 478.937,1327 41858,1328 2.1,1329 21.535,1330 0.695,1331 0.53,1332 20.665,1333 16.436,1334 15.008,1335 0.429,1336 0.27,1337 9.282,1338 14.296,1339 9.101,1340 7.527,1341 14.597,1342 9.451,1343 13.939,1344 0.273,1345 0.137,1346 13.444,1347 6.987,1348 12.274,1349 0.173,1350 0.07,1351 11.612,1352 4.943,1353 10.304,1354 0.106,1355 0.035,1356 10.196,1357 3.376,1358 8.619,1359 0.068,1360 0.018,1361 8.419,1362 2.308,1363 0.267,1364 95.063,1365 0.206,1366 28.795,1367 0.484,1368 172,1369 577.089,1370 193.615,1371 540.122,1372 747.06,1373 504,1374 208,1375 576.82,1376 232.246,1377 573.585,1378 843.16,1379 540,1380 5.959}
{0 CHEMBL1242846,1 1.711,2 7.957,3 1.675,4 2.805,5 86.413,6 7.884,7 0.64,8 3.826,9 3.956,10 3.439,11 3.215,12 5.032,13 3.253,14 4.333,15 4.528,16 3.8,17 3.557,18 5.493,19 3.59,20 4.39,21 4.568,22 3.901,23 3.68,24 5.557,25 3.715,26 4.582,27 4.794,28 3.943,29 3.768,30 5.793,31 3.776,32 4.545,33 4.736,34 3.829,35 3.78,36 5.637,37 3.751,38 4.593,39 4.801,40 3.789,41 3.708,42 5.792,43 3.674,44 4.581,45 4.828,46 3.493,47 3.569,48 5.641,49 3.496,50 4.493,51 4.806,52 3.03,53 3.294,54 5.424,55 3.166,56 0.125,57 0.635,58 7.768,59 2.781,60 9.93,61 3.929,62 0.539,63 0.917,64 16.264,65 4.32,66 35.472,67 6.408,68 0.283,69 1.064,70 15.274,71 4.222,72 17.075,73 6.703,74 0.715,75 1.158,76 20.603,77 5.134,78 48.944,79 7.925,80 0.382,81 1.129,82 18.283,83 5.734,84 22.728,85 8.627,86 0.691,87 1.055,88 21.124,89 5.94,90 54.513,91 8.748,92 0.533,93 0.927,94 22.11,95 5.199,96 42.784,97 8.631,98 0.781,99 0.67,100 24.216,101 4.642,102 62.834,103 8.037,104 35,105 36,106 0.303,107 0.65,108 0.779,109 0.788,110 0.814,111 0.814,112 3.19,113 0.841,114 -4.17,115 -4.11,116 -3.89,119 35,120 2,124 2,127 1,143 2,145 1,146 1,147 2,148 1,150 1,161 1,163 1,164 1,165 1,166 1,174 6,175 10,177 1,178 1,180 1,183 2,185 1,186 1,187 3,198 7,199 8,201 3,202 3,204 1,207 2,209 1,211 3,220 2,223 7,224 3,226 3,227 3,229 2,234 2,236 1,237 6,249 2,252 1,253 1,263 2,275 695,276 15.516,277 15.516,278 15.516,279 15.516,280 15.516,281 13.685,282 18.113,283 8.883,284 16.253,285 12.182,286 12.182,287 12.182,288 12.182,289 12.182,290 9.226,291 17.965,292 3.987,293 13.201,294 3.611,295 1.653,296 0.925,297 0.875,298 0.725,299 0.725,300 3.865,303 1,304 1,305 1,306 384,307 3,310 44.39,311 121.521,314 84.931,318 1.183,319 23.458,321 1,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 51.5,331 183,332 4.772,333 3.407,334 7.069,335 4.317,336 3.355,337 4.739,338 0.86,339 12.202,340 3.229,341 4.259,342 3.081,343 6.388,344 3.817,345 2.884,346 3.921,347 0.86,348 9.729,349 2.695,350 3.801,351 2.688,352 5.946,353 3.458,354 2.513,355 3.204,357 8.072,358 2.374,359 3.628,360 2.602,361 5.365,362 3.184,363 2.29,364 3.006,366 6.81,367 2.038,368 3.214,369 2.147,370 4.985,371 2.765,372 1.869,373 2.476,375 5.425,376 1.673,377 3.02,378 1.814,379 4.813,380 2.671,381 1.736,382 2.142,384 4.814,385 1.613,386 2.833,387 1.493,388 4.172,389 2.31,390 1.39,391 1.974,393 3.505,394 1.274,395 2.528,396 1.17,397 3.847,398 2.005,399 1.069,400 1.54,402 2.739,403 0.998,404 2.143,405 0.974,406 3.491,407 1.795,408 0.84,409 1.056,411 2.076,412 0.8,413 1.684,414 0.938,415 2.985,416 1.335,417 0.473,418 0.551,420 0.808,421 0.405,422 1.592,423 0.818,424 2.776,425 1.294,426 0.462,427 0.512,428 0.673,429 0.384,430 1.061,431 -0.038,432 2.482,433 0.635,434 -0.274,435 -0.341,436 -0.601,437 -0.248,438 0.878,439 -0.208,440 2.39,441 0.464,442 -0.426,443 -0.535,445 -0.883,446 -0.377,447 0.609,448 -0.465,449 2.249,450 0.106,451 -0.816,452 -1,454 -2,455 -0.739,456 0.572,457 -0.765,458 2.176,459 0.068,460 -0.845,461 -1.078,463 -2.109,464 -0.768,465 10.467,466 0.455,467 0.61,468 0.027,469 32,470 1.391,471 15.5,472 0.674,473 16.5,474 0.717,475 17.337,476 0.754,477 25.533,478 0.638,479 23.382,480 1.017,481 6.356,482 0.276,483 4.706,484 0.205,485 0.229,487 0.42,493 0.94,494 1.661,495 0.732,496 1.342,497 1.033,498 1.035,499 1.051,500 0.897,501 0.666,502 0.617,503 0.785,504 0.58,505 0.967,506 1.552,507 0.745,508 1.111,509 0.769,510 0.889,511 0.915,512 0.797,513 0.937,514 0.755,515 1.006,516 0.819,517 0.877,518 1.368,519 1.084,520 1.378,521 0.933,522 1.282,523 1.006,524 0.991,525 1.128,526 1.144,527 1.015,528 1.179,529 1.186,530 1.225,531 1.272,532 1.276,533 1.358,534 1.281,535 1.32,536 0.371,537 1.176,538 0.503,539 1.356,540 0.756,541 4.5,542 0.012,543 2.889,544 2.292,545 1.887,546 1.254,547 0.588,548 0.407,549 0.204,550 0.066,551 4592,552 13935,553 2.016,554 42.5,556 7,558 2,559 2,561 6,564 1.667,565 1.84,566 2.971,567 0.45,568 1,569 1,571 1,573 68.436,574 1.711,575 3.669,576 4.396,577 4.446,578 4.596,579 4.596,580 2.455,581 4.437,582 4.493,583 3.089,584 781.585,585 7.788,586 8527.36,587 1,588 1,590 1,591 212.877,592 1.538,593 4.428,594 0.18,595 0.004,596 0.08,597 0.057,598 0.047,599 0.036,600 0.018,601 0.019,602 0.016,603 0.009,604 0.467,605 0.33,606 1,607 1.059,608 104.31,609 -0.073,610 -0.376,611 0.067,612 -0.23,613 -0.162,614 -0.072,615 0.106,616 0.176,617 0.285,618 0.368,619 0.184,620 0.353,621 -0.124,622 -0.355,623 0.115,624 -0.09,625 0.039,626 0.054,627 0.106,628 0.318,629 -0.004,630 0.171,631 0.045,632 0.079,633 -0.069,634 -0.22,635 -0.218,636 -0.336,637 -0.131,638 -0.311,639 0.095,640 0.048,641 -0.179,642 -0.17,643 0.102,644 -0.243,645 -0.199,646 -0.28,647 -0.286,648 -0.341,649 -0.266,650 -0.327,651 -0.149,652 0.361,653 -0.051,654 0.345,655 -0.184,656 0.205,657 1.456,658 2.045,659 0.652,660 16.053,661 1.02,662 1.15,663 2.942,664 8.656,665 0.644,666 3.258,667 3.611,668 3.951,669 4.277,670 4.543,671 4.691,672 4.771,673 4.82,674 4.787,675 4.718,676 4.859,677 0.63,678 315.38,679 3.258,680 4.812,681 5.694,682 6.605,683 7.515,684 8.437,685 9.356,686 10.283,687 11.205,688 12.134,689 17.5,693 1,697 1,699 5,703 2,704 2,705 5,709 5,710 1,711 16,722 1,729 2,731 40,733 16,735 25,737 42,738 14,739 9,746 3,747 4,752 2,758 1,761 9,762 5,777 1,778 1,781 17,782 8,783 2,784 9,790 7,794 0.667,795 2,803 1,806 2,811 1,812 2,815 1,840 2,844 4,848 23,849 1,856 2,858 1,870 5,875 2,877 12.5,878 8.617,879 5.194,880 2.219,881 3.206,882 1.455,883 0.953,884 4.112,885 10.258,886 3.526,887 4.201,888 4.904,889 5.589,890 6.178,891 6.598,892 7.022,893 7.437,894 7.701,895 7.974,896 1,897 40,898 8.404,900 3.473,901 7.804,902 15.694,904 12.22,905 2.304,906 53,910 176.567,911 78.841,912 118.479,914 22,917 78.841,918 198.566,919 118.479,920 39.417,922 32.897,923 109.063,924 49.958,925 11.528,926 153.024,928 176.567,929 197.32,930 22,933 105.94,934 92.626,937 45.951,938 67.564,939 83.805,941 176.567,942 140.479,943 78.841,946 176.567,947 21.759,948 58.859,950 138.702,951 176.567,952 140.479,953 78.841,955 0.581,956 0.362,957 0.207,958 0.121,959 18,960 9,961 0.095,962 4,963 1,964 1.133,965 3.294,966 193.496,967 0.133,968 15,969 102.042,974 15.591,975 6.067,976 2.603,977 1.3,978 138.702,979 3.007,980 21.3,984 2.068,985 1.784,986 32.897,987 395.887,988 33,999 40.785,1000 45.983,1001 0.321,1002 0.689,1003 0.826,1004 0.835,1005 0.864,1006 0.864,1007 4.771,1008 1.069,1009 5.707,1010 3.505,1011 4.29,1012 4.887,1013 1.376,1014 6.597,1015 4.15,1016 6.014,1017 0.84,1018 7.318,1019 2.739,1020 4.007,1021 4.856,1023 7.676,1024 3.841,1025 7.355,1026 0.473,1027 9.031,1028 2.076,1029 5.953,1030 7.221,1031 1.159,1032 10.826,1033 5.709,1034 8.74,1035 0.462,1036 10.803,1037 0.808,1038 6.494,1039 8.043,1041 12.741,1042 6.232,1043 10.16,1044 -0.274,1045 12.614,1046 0.673,1047 7.938,1048 9.897,1049 0.963,1050 15.436,1051 7.618,1052 11.606,1053 -0.426,1054 14.451,1055 -0.601,1056 8.844,1057 11.113,1059 17.692,1060 8.504,1061 13.072,1062 -0.816,1063 16.309,1064 -0.883,1065 10.111,1066 12.771,1067 0.787,1068 20.243,1069 9.726,1070 3.355,1071 -0.845,1072 18.181,1073 -2,1074 11.179,1075 14.17,1077 22.639,1078 10.769,1079 2.884,1080 12.202,1081 20.066,1082 -2.109,1083 12.387,1084 15.753,1085 0.634,1086 25.146,1087 11.938,1088 2.513,1089 9.729,1090 21.961,1091 4.739,1092 13.526,1093 17.234,1095 27.6,1096 13.048,1097 2.29,1098 8.072,1099 23.864,1100 3.921,1101 14.72,1102 18.792,1103 0.504,1104 30.096,1105 14.206,1106 1.869,1107 6.81,1108 25.775,1109 3.204,1110 15.89,1111 20.31,1113 32.574,1114 15.344,1115 1.736,1116 5.425,1117 27.691,1118 3.006,1119 17.083,1120 21.861,1121 0.395,1122 35.068,1123 16.502,1124 1.39,1125 4.814,1126 29.612,1127 2.476,1128 18.27,1129 23.397,1131 37.558,1132 17.655,1133 4649,1134 8245,1135 16.126,1136 25.756,1137 37.907,1138 38.531,1139 40.519,1140 37.665,1141 37.761,1142 50.246,1143 3.44,1144 113.708,1145 34.966,1146 5.469,1147 5.407,1148 6.626,1149 5.39,1150 5.355,1151 7.739,1152 1.72,1153 19.799,1154 5.148,1155 13.176,1156 1.516,1157 1.541,1158 1.621,1159 1.507,1160 1.51,1161 2.01,1162 0.138,1163 4.548,1164 1.399,1165 4.128,1166 4.176,1167 4.114,1168 3.965,1169 5.264,1170 3.997,1171 3.795,1172 3.835,1173 3.771,1174 3.588,1175 5.086,1176 3.627,1177 3.576,1178 3.654,1179 3.445,1180 3.403,1181 4.848,1182 3.398,1183 3.307,1184 3.362,1185 3.182,1186 3.013,1187 4.595,1188 3.046,1189 3.224,1190 3.303,1191 3.067,1192 2.932,1193 4.499,1194 2.949,1195 3.106,1196 3.207,1197 2.924,1198 2.825,1199 4.284,1200 2.836,1201 2.985,1202 3.095,1203 2.853,1204 2.676,1205 4.062,1206 2.713,1207 2.874,1208 3.009,1209 2.499,1210 2.618,1211 3.782,1212 2.57,1213 0.191,1214 0.136,1215 0.283,1216 0.173,1217 0.134,1218 4.772,1219 0.19,1220 3.407,1221 0.034,1222 7.069,1223 0.488,1224 4.317,1225 0.129,1226 3.355,1227 4.739,1228 0.86,1229 12.202,1230 3.229,1231 1.869,1232 1.839,1233 1.951,1234 2.034,1235 1.148,1236 2.005,1237 1.743,1238 1.69,1239 1.878,1240 1.97,1241 0.993,1242 1.937,1243 1.578,1244 1.517,1245 1.721,1246 1.807,1247 0.7,1248 1.794,1249 1.227,1250 1.162,1251 1.586,1252 1.558,1253 0.581,1254 1.563,1255 1.169,1256 1.088,1257 1.526,1258 1.474,1259 0.546,1260 1.491,1261 1.03,1262 0.937,1263 1.417,1264 1.359,1265 0.469,1266 1.337,1267 0.934,1268 0.804,1269 1.22,1270 1.239,1271 0.12,1272 1.308,1273 0.824,1274 0.74,1275 1.045,1276 1.182,1277 0.027,1278 1.159,1279 3.932,1281 5.273,1282 2.398,1283 6.825,1284 4.844,1285 8.477,1286 7.081,1287 10.182,1289 7.03,1293 6.045,1297 10.364,1299 0.103,1305 25.213,1306 68.436,1307 146.771,1308 175.858,1309 177.858,1310 183.858,1311 183.858,1312 32.222,1313 7.053,1314 113.86,1315 113.86,1316 17,1317 12.638,1318 4.087,1319 3.17,1320 36.447,1321 65,1322 78,1323 0.282,1324 157.944,1325 257.08,1326 377.143,1327 9092,1329 16.56,1330 0.72,1331 0.579,1332 16.56,1333 13.309,1334 11.062,1335 0.442,1336 0.28,1337 6.812,1338 10.311,1339 6.543,1340 5.53,1341 11.062,1342 7.005,1343 9.876,1344 0.274,1345 0.142,1346 9.876,1347 5.124,1348 8.595,1349 0.169,1350 0.066,1351 8.595,1352 3.37,1353 7.383,1354 0.104,1355 0.033,1356 7.383,1357 2.311,1358 6.139,1359 0.066,1360 0.017,1361 6.139,1362 1.552,1363 0.419,1364 71.608,1365 0.249,1366 21.764,1367 0.855,1368 122,1369 420.654,1370 141.355,1371 397.807,1372 552.77,1373 374,1374 148,1375 422.666,1376 168.274,1377 425.63,1378 626.72,1379 395,1380 5.719}
{0 CHEMBL1242847,1 1.572,2 8,3 2.41,4 5.807,5 83.026,6 7.457,7 0.696,8 3.752,9 3.884,10 3.326,11 3.238,12 4.902,13 3.235,14 4.253,15 4.443,16 3.684,17 3.597,18 5.329,19 3.586,20 4.402,21 4.598,22 3.758,23 3.716,24 5.482,25 3.693,26 4.512,27 4.736,28 3.733,29 3.762,30 5.6,31 3.705,32 4.484,33 4.722,34 3.546,35 3.723,36 5.452,37 3.633,38 4.389,39 4.612,40 3.464,41 3.624,42 5.445,43 3.529,44 4.417,45 4.69,46 3.122,47 3.476,48 5.373,49 3.325,50 4.238,51 4.564,52 2.764,53 3.143,54 5.026,55 2.932,56 0.054,57 0.603,58 7.854,59 3.07,60 9.191,61 4.213,62 0.213,63 0.913,64 14.719,65 4.929,66 20.468,67 6.964,68 0.199,69 1.061,70 17.035,71 5.284,72 19.217,73 7.822,74 0.325,75 1.143,76 19.733,77 6.181,78 32.592,79 9.16,80 0.218,81 1.078,82 19.277,83 6.01,84 24.526,85 9.208,86 0.19,87 0.971,88 17.193,89 5.728,90 26.136,91 8.621,92 0.291,93 0.871,94 19.333,95 5.702,96 36.234,97 8.829,98 0.311,99 0.604,100 17.75,101 5.662,102 30.926,103 8.784,104 21,105 33,106 0.281,107 0.662,108 0.769,109 0.788,110 0.788,111 0.788,112 3.105,113 0.88,114 -4.38,115 -4.31,116 -4.06,119 39.5,120 2,124 1,127 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 9,177 1,178 1,180 1,183 6,185 1,186 1,187 7,195 4,198 2,199 9,201 3,202 3,204 1,207 4,209 1,212 6,217 2,220 2,222 2,223 1,224 7,229 4,232 4,234 4,236 1,245 4,249 2,252 1,253 1,263 2,275 548,276 14.146,277 14.146,278 14.146,279 14.146,280 14.146,281 12.315,282 13.8,283 8.147,284 14.586,285 11.26,286 11.26,287 11.26,288 11.26,289 11.26,290 8.404,291 12.151,292 3.737,293 11.871,294 3.676,295 1.548,296 0.954,297 0.849,298 0.849,299 0.849,300 3.781,303 1,304 1,305 1,306 356,307 2.739,310 40.733,311 108.482,314 77.684,318 1.238,319 15.841,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 168,332 4.757,333 3.373,334 7.038,335 4.298,336 3.335,337 4.73,338 0.86,339 12.08,340 3.214,341 4.067,342 2.865,343 6.147,344 3.66,345 2.692,346 3.678,348 8.817,349 2.604,350 3.799,351 2.674,352 5.765,353 3.449,354 2.498,355 3.204,357 7.634,358 2.372,359 3.621,360 2.446,361 5.286,362 3.219,363 2.279,364 3,366 6.686,367 2.134,368 3.033,369 1.824,370 4.819,371 2.684,372 1.743,373 2.251,375 4.818,376 1.636,377 2.988,378 1.59,379 4.458,380 2.466,381 1.531,382 2.127,384 4.138,385 1.426,386 2.532,387 1.176,388 3.861,389 2.018,390 1.079,391 1.545,393 2.765,394 1.01,395 2.5,396 1,397 3.49,398 2,399 1,400 1.5,402 2.275,403 1,404 2.132,405 0.973,406 3.414,407 1.79,408 0.831,409 1.042,411 2.061,412 0.794,413 1.644,414 0.816,415 2.823,416 1.343,417 0.473,418 0.537,420 0.735,421 0.408,422 1.061,423 -0.112,424 2.468,425 0.635,426 -0.281,427 -0.354,428 -0.64,429 -0.257,430 0.862,431 -0.251,432 2.385,433 0.458,434 -0.482,435 -0.618,436 -0.996,437 -0.449,438 0.597,439 -0.761,440 2.249,441 0.097,442 -0.833,443 -1,445 -2,446 -0.769,447 0.5,448 -0.956,449 2,451 -1,452 -1.129,454 -2.29,455 -1,456 0.167,457 -1,458 1.938,460 -1,461 -1.4,463 -3,464 -1,465 9.833,466 0.468,467 0.559,468 0.027,469 29,470 1.381,471 15,472 0.714,473 14,474 0.667,475 15.16,476 0.722,477 22.567,478 0.594,479 19.747,480 0.94,481 5.702,482 0.272,483 4.412,484 0.21,485 0.193,487 0.397,493 0.894,494 1.345,495 0.786,496 1.13,497 1.083,498 0.967,499 1.082,500 1.023,501 0.727,502 0.821,503 0.751,504 0.743,505 1.161,506 1.229,507 0.903,508 0.961,509 0.863,510 0.896,511 0.927,512 0.988,513 0.985,514 0.964,515 0.98,516 0.977,517 0.953,518 1.091,519 1.128,520 1.061,521 0.973,522 1.095,523 0.819,524 1.285,525 1.14,526 1.284,527 1.017,528 1.258,529 1.019,530 0.952,531 1.267,532 1.138,533 1.611,534 1.212,535 0.399,536 0.686,537 0.736,538 0.895,539 0.465,540 0.882,541 4,542 0.012,543 2.667,544 1.854,545 1.656,546 0.889,547 0.388,548 0.301,549 0.183,550 0.066,551 3794,552 10077,553 2.045,554 44.7,556 8,558 1,559 2,561 6,564 1.638,565 1.881,566 2.954,567 0.378,568 1,569 1,571 1,573 59.721,574 1.572,575 3.7,576 4.294,577 4.399,578 4.399,579 4.399,580 2.47,581 3.975,582 4.359,583 3.09,584 648.845,585 7.503,586 6625.02,587 1,588 1,590 1,591 199.421,592 1.51,593 4.305,594 0.174,595 0.004,596 0.081,597 0.053,598 0.05,599 0.033,600 0.016,601 0.02,602 0.018,603 0.009,604 0.459,605 0.5,606 1,607 0.988,608 92.597,609 0.006,610 -0.124,611 0.061,612 -0.074,613 -0.165,614 -0.009,615 0.035,616 0.071,617 0.21,618 0.178,619 0.138,620 0.207,621 -0.13,622 -0.117,623 0.025,624 0.012,625 0.016,626 0.038,627 0.027,628 0.089,629 -0.041,630 -0.011,631 0.029,632 -0.039,633 -0.188,634 -0.04,635 -0.199,636 -0.091,637 -0.143,638 -0.131,639 -0.03,640 -0.244,641 -0.22,642 -0.291,643 0.002,644 -0.285,645 -0.106,646 -0.015,647 -0.279,648 -0.196,649 -0.397,650 -0.246,651 0.457,652 0.041,653 0.32,654 0.097,655 0.359,656 0.175,657 1.224,658 2.035,659 0.714,660 14.576,661 1.004,662 1.137,663 3.147,664 9.902,665 0.659,666 3.178,667 3.526,668 3.85,669 4.159,670 4.419,671 4.543,672 4.595,673 4.663,674 4.644,675 4.543,676 4.77,677 0.631,678 283.37,679 3.178,680 4.727,681 5.602,682 6.506,683 7.408,684 8.322,685 9.235,686 10.154,687 11.071,688 11.993,689 13.2,693 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,722 1,729 1,731 38,733 16,734 1,735 23,737 40,738 15,739 11,740 2,741 4,746 3,747 4,752 2,758 1,761 11,762 4,777 1,778 1,781 17,782 5,783 2,784 6,790 5,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 3,848 21,849 1,856 1,858 1,870 2.6,875 1,877 11.167,878 7.8,879 4.667,880 2.204,881 3.131,882 1.456,883 0.979,884 3.516,885 9.992,886 3.466,887 4.139,888 4.835,889 5.513,890 6.1,891 6.498,892 6.919,893 7.35,894 7.601,895 7.841,896 1,897 35,898 7.691,900 3.197,901 7.683,902 14.644,904 11.721,905 2.183,906 45.833,910 176.567,911 92.859,912 84.908,914 11,917 92.859,918 187.566,919 84.908,920 28.533,922 70.802,923 63.72,924 35.154,925 2.328,926 164.795,928 176.567,929 177.767,930 11,933 105.94,934 81.626,937 32.518,938 95.015,939 50.234,941 176.567,942 95.908,943 92.859,946 176.567,947 17.802,948 76.834,950 94.131,951 176.567,952 95.908,953 92.859,955 0.585,956 0.355,957 0.197,958 0.114,959 17,960 8,961 0.075,962 3,963 1,964 1.133,965 3.205,966 168.187,967 0.133,968 15,969 86.239,974 13.835,975 5.337,976 2.339,977 1.541,978 94.131,979 9.177,980 13.085,984 2.995,985 1.868,986 32.897,987 365.333,988 31,999 38.138,1000 43.192,1001 0.299,1002 0.705,1003 0.818,1004 0.838,1005 0.838,1006 0.838,1007 4.7,1008 1,1009 5.609,1010 2.765,1011 4.205,1012 4.824,1013 0.908,1014 6.482,1015 4.111,1016 5.94,1017 0.831,1018 7.209,1019 2.275,1020 3.892,1021 4.745,1023 7.532,1024 3.765,1025 7.274,1026 0.473,1027 8.911,1028 2.061,1029 5.849,1030 7.149,1031 0.739,1032 10.676,1033 5.677,1034 8.651,1035 -0.281,1036 10.674,1037 0.735,1038 6.365,1039 7.939,1041 12.583,1042 6.16,1043 10.064,1044 -0.482,1045 12.477,1046 -0.64,1047 7.818,1048 9.817,1049 0.593,1050 15.273,1051 7.577,1052 11.504,1053 -0.833,1054 14.308,1055 -0.996,1056 8.705,1057 11.016,1059 17.531,1060 8.43,1061 12.965,1062 -1,1063 16.16,1064 -2,1065 9.977,1066 12.688,1067 0.469,1068 20.079,1069 9.669,1070 3.335,1071 -1,1072 18.029,1073 -2.29,1074 11.034,1075 14.082,1077 22.478,1078 10.69,1079 2.692,1080 12.08,1081 19.911,1082 -3,1083 12.244,1084 15.674,1085 0.366,1086 24.983,1087 11.867,1088 2.498,1089 8.817,1090 21.804,1091 4.73,1092 13.378,1093 17.155,1095 27.438,1096 12.965,1097 2.279,1098 7.634,1099 23.706,1100 3.678,1101 14.572,1102 18.719,1103 0.283,1104 29.931,1105 14.125,1106 1.743,1107 6.686,1108 25.615,1109 3.204,1110 15.741,1111 20.24,1113 32.407,1114 15.257,1115 1.531,1116 4.818,1117 27.531,1118 3,1119 16.934,1120 21.794,1121 0.217,1122 34.898,1123 16.414,1124 1.079,1125 4.138,1126 29.452,1127 2.251,1128 18.119,1129 23.333,1131 37.383,1132 17.563,1133 3808,1134 6320,1135 15.027,1136 25.051,1137 35.189,1138 35.281,1139 36.905,1140 34.898,1141 34.921,1142 47.228,1143 1.72,1144 104.02,1145 33.199,1146 5.433,1147 5.373,1148 6.589,1149 5.371,1150 5.335,1151 7.73,1152 1.72,1153 19.53,1154 5.214,1155 11.124,1156 1.53,1157 1.534,1158 1.605,1159 1.517,1160 1.518,1161 2.053,1162 0.075,1163 4.523,1164 1.443,1165 4.132,1166 4.179,1167 4.114,1168 3.993,1169 5.256,1170 4.015,1171 3.841,1172 3.87,1173 3.785,1174 3.733,1175 4.906,1176 3.744,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 4.809,1182 3.399,1183 3.288,1184 3.351,1185 3.175,1186 3.038,1187 4.518,1188 3.066,1189 3.135,1190 3.232,1191 2.967,1192 2.86,1193 4.318,1194 2.872,1195 2.991,1196 3.101,1197 2.861,1198 2.735,1199 4.048,1200 2.719,1201 2.874,1202 3.009,1203 2.687,1204 2.683,1205 3.687,1206 2.715,1207 2.854,1208 2.925,1209 2.521,1210 2.618,1211 3.674,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.757,1219 0.206,1220 3.373,1221 0.037,1222 7.038,1223 0.525,1224 4.298,1225 0.14,1226 3.335,1227 4.73,1228 0.86,1229 12.08,1230 3.214,1231 1.93,1232 1.909,1233 2.011,1234 2.038,1235 1.154,1236 2.023,1237 1.796,1238 1.748,1239 1.946,1240 1.985,1241 1.114,1242 1.974,1243 1.612,1244 1.548,1245 1.776,1246 1.814,1247 0.837,1248 1.814,1249 1.228,1250 1.168,1251 1.569,1252 1.525,1253 0.573,1254 1.537,1255 1.076,1256 0.99,1257 1.417,1258 1.376,1259 0.469,1260 1.356,1261 0.934,1262 0.821,1263 1.248,1264 1.239,1265 0.262,1266 1.308,1267 0.886,1268 0.804,1269 1.181,1270 1.198,1271 0.218,1272 1.187,1273 0.856,1274 0.763,1275 1.129,1276 1.062,1277 0.036,1278 1.107,1279 3.85,1281 5.187,1282 2.398,1283 6.732,1284 4.844,1285 8.372,1286 7.081,1287 10.062,1289 5.759,1293 6.035,1297 5.185,1299 0.189,1305 23.983,1306 59.721,1307 140.592,1308 163.157,1309 167.157,1310 167.157,1311 167.157,1312 26.891,1313 6.862,1314 78.85,1315 78.85,1316 17,1317 12.501,1318 4.087,1319 3.17,1320 31.963,1321 58,1322 74,1323 0.278,1324 149.951,1325 243.59,1326 357.641,1327 7210,1329 14.983,1330 0.713,1331 0.583,1332 14.983,1333 12.239,1334 10.113,1335 0.44,1336 0.293,1337 6.626,1338 9.632,1339 6.371,1340 5.368,1341 10.113,1342 6.746,1343 9.146,1344 0.277,1345 0.154,1346 9.146,1347 5.073,1348 7.868,1349 0.171,1350 0.073,1351 7.868,1352 3.371,1353 6.666,1354 0.106,1355 0.037,1356 6.666,1357 2.306,1358 5.483,1359 0.067,1360 0.019,1361 5.483,1362 1.57,1363 0.415,1364 63.938,1365 0.258,1366 20.264,1367 0.83,1368 112,1369 325.628,1370 124.315,1371 316.764,1372 445.8,1373 298,1374 135,1375 345.838,1376 148.288,1377 350.466,1378 513.83,1379 328,1380 5.903}
{0 CHEMBL1242848,1 1.62,2 7.286,3 1.412,4 1.994,5 82.958,6 7.685,7 0.696,8 3.74,9 3.881,10 3.319,11 3.21,12 4.964,13 3.219,14 4.205,15 4.388,16 3.71,17 3.592,18 5.36,19 3.588,20 4.423,21 4.618,22 3.803,23 3.712,24 5.646,25 3.7,26 4.545,27 4.777,28 3.746,29 3.732,30 5.705,31 3.689,32 4.452,33 4.683,34 3.583,35 3.672,36 5.519,37 3.606,38 4.345,39 4.544,40 3.544,41 3.596,42 5.527,43 3.534,44 4.456,45 4.725,46 3.258,47 3.48,48 5.607,49 3.35,50 4.272,51 4.591,52 2.796,53 3.117,54 5.288,55 2.933,56 0.109,57 0.61,58 7.546,59 2.716,60 15.063,61 3.759,62 0.174,63 0.924,64 13.022,65 4.605,66 19.275,67 6.645,68 0.276,69 1.078,70 16.846,71 5.037,72 33.346,73 7.609,74 0.421,75 1.119,76 20.588,77 5.869,78 48.366,79 8.819,80 0.319,81 1.018,82 18.465,83 5.467,84 34.71,85 8.389,86 0.229,87 0.946,88 15.462,89 5.106,90 26.136,91 7.578,92 0.448,93 0.866,94 20.074,95 5.508,96 59.343,97 8.735,98 0.344,99 0.592,100 18.739,101 5.364,102 49.156,103 8.283,104 27,105 34,106 0.292,107 0.712,108 0.791,109 0.833,110 0.833,111 0.833,112 3.105,113 0.856,114 -4.14,115 -4.08,116 -3.86,119 37.8,120 2,127 1,142 3,143 2,144 2,146 1,147 1,148 1,161 1,163 2,164 2,165 2,166 1,172 3,174 2,175 7,177 1,178 1,180 3,183 4,185 2,186 1,187 5,191 1,192 4,194 1,195 3,197 2,198 2,199 7,201 3,202 3,204 3,207 3,209 2,212 5,215 1,217 3,220 2,222 2,224 4,226 1,227 2,229 4,232 4,234 4,239 1,240 3,241 1,244 1,245 2,252 2,253 2,254 1,255 2,257 2,261 1,268 2,273 2,275 530,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 11.84,282 13.037,283 7.818,284 14.087,285 11.301,286 11.301,287 11.301,288 11.301,289 11.301,290 8.368,291 9.869,292 3.657,293 11.827,294 3.59,295 1.254,296 0.818,297 0.581,298 0.581,299 0.581,300 3.777,303 1,304 1,305 1,306 323,307 2.646,310 39.793,311 107.231,314 76.128,318 1.061,319 22.626,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 153,332 4.76,333 3.377,334 7.039,335 4.301,336 3.338,337 4.732,339 12.086,340 3.218,341 4.216,342 2.975,343 6.179,344 3.795,345 2.827,346 3.879,348 8.977,349 2.731,350 3.814,351 2.667,352 5.927,353 3.486,354 2.533,355 3.214,357 8.067,358 2.41,359 3.679,360 2.396,361 5.657,362 3.279,363 2.321,364 3.085,366 7.235,367 2.22,368 3.03,369 1.821,370 4.819,371 2.683,372 1.743,373 2.244,375 4.818,376 1.636,377 2.98,378 1.633,379 4.469,380 2.45,381 1.508,382 2.126,384 4.123,385 1.416,386 2.82,387 1.52,388 4.039,389 2.378,390 1.414,391 1.948,393 3.512,394 1.356,395 2.521,396 1.07,397 3.86,398 2.008,399 1.062,400 1.531,402 2.758,403 1.002,404 2.127,405 0.853,406 3.49,407 1.778,408 0.815,409 1.033,411 2.05,412 0.783,413 1.371,414 0.365,415 2.736,416 1.038,417 0.103,418 0.124,420 0.227,421 0.095,422 1.058,423 -0.15,424 2.427,425 0.618,426 -0.294,427 -0.374,428 -0.685,429 -0.267,430 0.781,431 -0.406,432 2.375,433 0.355,434 -0.595,435 -0.77,436 -1.604,437 -0.559,438 0.621,439 -0.762,440 2.256,441 0.125,442 -0.815,443 -1,445 -2,446 -0.761,447 0.227,448 -0.947,449 2.131,451 -1,452 -1.114,454 -2.268,455 -1,457 -1,458 1.805,459 -0.11,460 -1.062,461 -1.285,463 -3.043,464 -1.013,465 9.733,466 0.463,467 0.686,468 0.033,469 29.5,470 1.405,471 15.5,472 0.738,473 14,474 0.667,475 14.993,476 0.714,477 22.667,478 0.613,479 20.843,480 0.993,481 5.695,482 0.271,483 4.291,484 0.204,485 0.219,487 0.452,493 1.058,494 1.234,495 0.821,496 0.954,497 1.206,498 0.858,499 0.681,500 1.167,501 0.633,502 0.954,503 0.544,504 0.807,505 1.033,506 1.289,507 0.896,508 1.043,509 0.792,510 0.952,511 1.091,512 0.933,513 0.994,514 0.916,515 1.077,516 0.935,517 1.008,518 1.058,519 1.078,520 1.02,521 0.76,522 1.045,523 0.896,524 1.359,525 1.161,526 1.395,527 0.917,528 1.332,529 0.891,530 0.93,531 1.222,532 1.145,533 1.02,534 1.221,535 0.895,536 0.68,537 0.895,538 0.938,539 0.987,540 0.941,541 4.5,543 3.111,544 2.042,545 1.807,546 0.827,547 0.566,548 0.386,549 0.148,550 0.016,551 3654,552 10487,553 2.018,554 43.2,556 4,558 1,559 5,561 6,564 1.64,565 1.826,566 2.878,567 2.845,568 1,569 1,571 1,573 59.937,574 1.62,575 3.955,576 4.391,577 4.628,578 4.628,579 4.628,580 2.244,581 4.202,582 4.364,583 2.982,584 626.115,585 7.519,586 6413.99,587 1,588 1,590 1,591 192.75,592 1.545,593 4.289,594 0.196,596 0.092,597 0.057,598 0.055,599 0.03,600 0.022,601 0.023,602 0.015,603 0.005,604 0.493,605 0.5,606 1,607 0.911,608 91.933,609 -0.145,610 0.014,611 0.003,612 0.097,613 -0.28,614 0.079,615 0.117,616 -0.019,617 0.238,618 0.088,619 0.119,620 0.168,621 -0.053,622 -0.177,623 0.011,624 -0.059,625 0.075,626 -0.017,627 -0.05,628 0.097,629 -0.033,630 0.033,631 -0.092,632 0.003,633 -0.131,634 -0.025,635 -0.144,636 -0.037,637 -0.026,638 -0.078,639 -0.034,640 -0.273,641 -0.27,642 -0.387,643 -0.055,644 -0.372,645 0.085,646 -0.012,647 -0.221,648 -0.207,649 0.004,650 -0.254,651 0.151,652 0.031,653 0.202,654 0.033,655 0.191,656 0.106,657 1.657,658 3.797,659 0.714,660 13.56,661 1.01,662 1.143,663 2.91,664 8.47,665 0.657,666 3.178,667 3.555,668 3.871,669 4.174,670 4.443,671 4.564,672 4.625,673 4.71,674 4.644,675 4.511,676 4.558,677 0.635,678 284.36,679 3.178,680 4.745,681 5.624,682 6.535,683 7.441,684 8.36,685 9.275,686 10.198,687 11.117,688 12.041,689 16.2,693 2,697 1,699 3,703 2,704 4,705 3,709 5,710 1,711 16,722 2,728 1,731 37,733 16,734 1,735 23,737 39,738 14,739 11,740 3,741 3,746 3,747 4,752 2,758 1,761 11,762 3,777 1,778 1,781 16,782 6,783 5,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,815 1,840 2,844 2,848 21,849 2,853 1,858 1,870 2.7,872 1,877 11.5,878 7.083,879 4.528,880 2.08,881 3.139,882 1.457,883 0.975,884 3.276,885 10.002,886 3.466,887 4.171,888 4.859,889 5.531,890 6.123,891 6.526,892 6.946,893 7.39,894 7.628,895 7.866,896 0.8,897 36,898 7.696,900 3.303,901 7.881,902 14.378,904 11.733,905 2.381,906 50,910 129.482,911 70.013,912 117.805,914 42.683,917 70.013,918 172.165,919 117.805,920 17.65,922 94.223,923 106.404,924 21.667,925 2.328,926 117.711,928 129.482,929 187.818,930 42.683,933 58.856,934 113.31,937 32.518,938 105.066,939 50.234,941 129.482,942 160.488,943 70.013,946 129.482,947 15.315,948 56.474,950 158.712,951 129.482,952 160.488,953 70.013,955 0.599,956 0.36,957 0.193,958 0.114,959 18,960 9,961 0.051,962 2,963 1,964 1.133,965 3.144,966 170.795,967 0.133,968 15,969 90.239,974 13.798,975 4.985,976 2.224,977 1.346,978 158.712,979 6.398,980 12.877,984 2.031,985 1.788,986 108.478,987 359.983,988 31,999 37.356,1000 42.275,1001 0.311,1002 0.759,1003 0.843,1004 0.888,1005 0.888,1006 0.888,1007 4.718,1008 1.062,1009 5.652,1010 3.512,1011 4.234,1012 4.856,1014 6.538,1015 4.148,1016 5.979,1017 0.815,1018 7.266,1019 2.758,1020 4.007,1021 4.856,1023 7.597,1024 3.883,1025 7.325,1026 0.103,1027 8.98,1028 2.05,1029 5.9,1030 7.201,1032 10.742,1033 5.74,1034 8.712,1035 -0.294,1036 10.751,1037 0.227,1038 6.463,1039 8.029,1041 12.635,1042 6.265,1043 10.132,1044 -0.595,1045 12.558,1046 -0.685,1047 7.886,1048 9.879,1050 15.326,1051 7.657,1052 11.577,1053 -0.815,1054 14.391,1055 -1.604,1056 8.796,1057 11.093,1059 17.569,1060 8.529,1061 13.041,1062 -1,1063 16.242,1064 -2,1065 10.054,1066 12.75,1068 20.115,1069 9.754,1070 3.338,1071 -1.062,1072 18.109,1073 -2.268,1074 11.117,1075 14.146,1077 22.504,1078 10.781,1079 2.827,1080 12.086,1081 19.987,1082 -3.043,1083 12.32,1084 15.729,1086 25.007,1087 11.95,1088 2.533,1089 8.977,1090 21.876,1091 4.732,1092 13.453,1093 17.208,1095 27.456,1096 13.046,1097 2.321,1098 8.067,1099 23.773,1100 3.879,1101 14.641,1102 18.765,1104 29.947,1105 14.2,1106 1.743,1107 7.235,1108 25.677,1109 3.214,1110 15.807,1111 20.281,1113 32.421,1114 15.329,1115 1.508,1116 4.818,1117 27.587,1118 3.085,1119 16.995,1120 21.831,1122 34.91,1123 16.482,1124 1.414,1125 4.123,1126 29.503,1127 2.244,1128 18.176,1129 23.366,1131 37.394,1132 17.627,1133 3681,1134 6343,1135 14.74,1136 24.296,1137 35.678,1138 35.561,1139 37.742,1140 35.347,1141 35.327,1142 47.83,1144 107.705,1145 33.735,1146 5.427,1147 5.377,1148 6.567,1149 5.374,1150 5.338,1151 7.732,1153 19.551,1154 5.218,1155 12.257,1156 1.551,1157 1.546,1158 1.641,1159 1.537,1160 1.536,1161 2.08,1163 4.683,1164 1.467,1165 4.133,1166 4.18,1167 4.115,1168 3.994,1169 6.47,1170 4.016,1171 3.85,1172 3.883,1173 3.802,1174 3.737,1175 5.256,1176 3.751,1177 3.576,1178 3.654,1179 3.445,1180 3.406,1181 5.059,1182 3.399,1183 3.232,1184 3.315,1185 3.148,1186 3.008,1187 4.864,1188 3.039,1189 3.023,1190 3.138,1191 2.897,1192 2.746,1193 4.545,1194 2.754,1195 2.931,1196 3.028,1197 2.804,1198 2.711,1199 4.34,1200 2.744,1201 2.912,1202 3.009,1203 2.764,1204 2.638,1205 4.041,1206 2.659,1207 2.874,1208 2.97,1209 2.499,1210 2.618,1211 3.683,1212 2.57,1213 0.207,1214 0.147,1215 0.306,1216 0.187,1217 0.145,1218 4.76,1219 0.206,1220 3.377,1222 7.039,1223 0.525,1224 4.301,1225 0.14,1226 3.338,1227 4.732,1229 12.086,1230 3.218,1231 1.929,1232 1.909,1233 2,1234 2.04,1235 1.153,1236 2.024,1237 1.797,1238 1.748,1239 1.945,1240 1.99,1241 1.107,1242 1.975,1243 1.612,1244 1.548,1245 1.774,1246 1.816,1247 0.828,1248 1.815,1249 1.173,1250 1.109,1251 1.417,1252 1.439,1253 0.469,1254 1.415,1255 0.934,1256 0.839,1257 1.32,1258 1.29,1259 0.277,1260 1.308,1261 0.912,1262 0.807,1263 1.196,1264 1.239,1265 0.141,1266 1.278,1267 0.883,1268 0.804,1269 1.139,1270 1.152,1271 0.037,1272 1.132,1273 0.769,1274 0.688,1275 1.014,1276 1.124,1278 1.113,1279 3.85,1281 5.209,1282 2.398,1283 6.767,1284 4.844,1285 8.418,1286 7.081,1287 10.117,1289 4.018,1293 11.622,1294 9.797,1299 0.123,1305 23.477,1306 59.937,1307 146.343,1308 162.485,1309 171.24,1310 171.24,1311 171.24,1312 33.817,1313 6.863,1314 115.87,1315 115.87,1316 17,1317 12.548,1318 4.087,1319 3.17,1320 31.867,1321 56,1322 59,1323 0.289,1324 147.153,1325 237.29,1326 350.814,1327 7124,1329 15.146,1330 0.721,1331 0.561,1332 15.146,1333 11.778,1334 9.986,1335 0.434,1336 0.285,1337 6.459,1338 9.56,1339 6.254,1340 5.241,1341 9.986,1342 6.563,1343 9.485,1344 0.279,1345 0.151,1346 9.485,1347 5.118,1348 8.038,1349 0.171,1350 0.07,1351 8.038,1352 3.311,1353 6.619,1354 0.103,1355 0.035,1356 6.619,1357 2.248,1358 5.55,1359 0.066,1360 0.018,1361 5.55,1362 1.554,1363 0.427,1364 62.925,1365 0.26,1366 20.069,1367 0.881,1368 114,1369 327.355,1370 126.567,1371 325.298,1372 453.77,1373 302,1374 138,1375 354.168,1376 151.678,1377 358.901,1378 527.3,1379 337,1380 5.427}
{0 CHEMBL1242849,1 1.425,2 8.652,3 3.218,4 10.357,5 92.533,6 7.931,7 0.846,8 3.762,9 3.888,10 3.401,11 3.361,12 4.941,13 3.349,14 4.224,15 4.387,16 3.756,17 3.742,18 5.351,19 3.716,20 4.401,21 4.582,22 3.803,23 3.85,24 5.487,25 3.801,26 4.463,27 4.666,28 3.759,29 3.836,30 5.56,31 3.768,32 4.452,33 4.668,34 3.637,35 3.796,36 5.476,37 3.712,38 4.43,39 4.663,40 3.495,41 3.709,42 5.453,43 3.61,44 4.344,45 4.617,46 3.324,47 3.542,48 5.256,49 3.424,50 4.071,51 4.316,52 3.144,53 3.314,54 5.067,55 3.218,56 0.048,57 0.605,58 6.72,59 2.961,60 8.092,61 3.787,62 0.142,63 0.948,64 11.9,65 4.861,66 13.502,67 6.379,68 0.099,69 1.094,70 14.834,71 6.058,72 15.16,73 8.1,74 0.224,75 1.163,76 16.606,77 6.492,78 24.079,79 8.772,80 0.127,81 1.106,82 17.01,83 6.491,84 19.799,85 8.84,86 0.163,87 1.071,88 17.291,89 6.195,90 28.361,91 8.476,92 0.131,93 0.93,94 17.639,95 6.442,96 22.053,97 9.219,98 0.101,99 0.737,100 12.449,101 4.436,102 16.62,103 6.19,104 5,105 37,106 0.25,107 0.573,108 0.675,109 0.784,110 0.84,111 0.853,112 3.19,113 0.846,114 -5.38,115 -5.27,116 -4.92,119 47.4,124 1,142 9,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 13,174 2,175 5,177 1,178 1,180 1,183 17,185 1,186 1,187 3,195 16,198 2,199 6,201 3,202 3,204 1,207 12,209 1,212 8,217 2,220 10,222 2,224 8,229 2,232 6,234 2,237 8,242 2,245 3,247 2,250 7,255 2,258 1,260 2,263 5,268 2,273 2,275 669,276 15.845,277 15.845,278 15.845,279 15.845,280 15.845,281 13.249,282 6.325,283 9.358,284 16.081,285 12.854,286 12.854,287 12.854,288 12.854,289 12.854,290 9.042,291 5,292 4.434,293 13.242,294 3.823,295 1.98,296 1.402,297 0.777,298 0.461,299 0.388,300 3.889,303 1,304 1,305 1,306 441,307 2,310 42.914,311 183.794,314 82.408,318 1.263,319 13.065,320 1,321 1,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 48.5,331 199,332 4.738,333 3.327,334 6.986,335 4.271,336 3.303,337 4.717,339 11.873,340 3.197,341 4.259,342 2.881,343 6.194,344 3.872,345 2.877,346 3.917,348 9.235,349 2.862,350 3.848,351 2.474,352 5.894,353 3.44,354 2.462,355 3.369,357 8.069,358 2.407,359 3.649,360 2.373,361 5.506,362 3.194,363 2.261,364 3.087,366 6.785,367 2.107,368 3.347,369 1.874,370 4.647,371 2.859,372 1.872,373 2.736,375 4.855,376 1.846,377 3.006,378 1.529,379 4.329,380 2.491,381 1.527,382 2.242,384 3.843,385 1.471,386 2.745,387 1.414,388 4.262,389 2.264,390 1.313,391 1.859,393 3.647,394 1.246,395 2.711,396 1.263,397 3.642,398 2.222,399 1.259,400 1.796,402 2.829,403 1.208,404 2.5,405 1,406 3.503,407 2,408 1,409 1.5,411 2.407,412 1,413 2.5,414 1,415 3.428,416 2,417 1,418 1.5,420 2.297,421 1,422 2.371,423 0.933,424 3.247,425 1.857,426 0.909,427 1.314,428 2.136,429 0.86,430 1.095,431 -0.08,432 2.614,433 0.675,434 -0.24,435 -0.301,436 -0.564,437 -0.219,438 0.93,439 -0.459,440 2.436,441 0.516,442 -0.48,443 -0.649,445 -1.139,446 -0.478,447 0.799,448 -0.504,449 2.4,450 0.353,451 -0.626,452 -0.789,454 -1.506,455 -0.573,456 0.699,457 -0.631,458 2.277,459 0.287,460 -0.636,461 -0.868,463 -1.718,464 -0.626,465 11,466 0.478,467 0.521,468 0.023,469 35.5,470 1.543,471 20.5,472 0.891,473 15,474 0.652,475 13.827,476 0.601,477 22.6,478 0.595,479 24.341,480 1.058,481 7.122,482 0.31,483 4.115,484 0.179,485 0.082,487 0.355,493 0.869,494 1.085,495 0.729,496 0.885,497 1.095,498 0.807,499 0.841,500 0.893,501 0.769,502 0.815,503 0.68,504 0.789,505 0.908,506 1.136,507 0.894,508 1.031,509 0.861,510 0.974,511 0.804,512 0.953,513 1.008,514 1.052,515 0.882,516 1.056,517 1.099,518 1.085,519 1.081,520 1.076,521 0.849,522 1.076,523 1.295,524 1.032,525 1.208,526 1.072,527 1.491,528 1.118,529 0.845,530 0.955,531 0.876,532 0.934,533 0.825,534 0.914,535 1.145,536 1.104,537 1.061,538 1.055,539 0.959,540 1.049,541 3.5,542 0.041,543 2.667,544 1.917,545 1.237,546 0.632,547 0.376,548 0.337,549 0.153,550 0.069,551 5521,552 14013,553 2.168,554 39.5,556 12,558 1,559 2,564 1.661,565 2.06,566 3.106,567 0.278,568 1,569 1,571 1,573 54.15,574 1.425,575 3.267,576 3.846,577 4.471,578 4.787,579 4.86,580 2.475,581 4.35,582 4.498,583 3.214,584 813.217,585 7.762,586 8933.72,587 1,588 1,589 1,590 1,591 199.421,592 1.302,593 4.469,594 0.135,595 0.007,596 0.072,597 0.05,598 0.035,599 0.02,600 0.014,601 0.015,602 0.009,603 0.005,604 0.363,605 0.33,606 1,607 0.503,608 105.534,609 0.047,610 0.007,611 0.052,612 0.027,613 -0.199,614 0.037,615 0.15,616 0.176,617 0.08,618 0.11,619 0.095,620 0.09,621 0.002,622 -0.12,623 -0.012,624 -0.081,625 -0.005,626 -0.055,627 0.221,628 0.068,629 -0.084,630 -0.109,631 0.104,632 -0.131,633 -0.157,634 -0.104,635 -0.135,636 -0.109,637 0.005,638 -0.117,639 -0.255,640 -0.047,641 -0.23,642 -0.113,643 -0.332,644 -0.158,645 0.041,646 -0.064,647 0.186,648 0.093,649 0.108,650 0.146,651 -0.116,652 -0.145,653 -0.05,654 -0.081,655 0.036,656 -0.062,657 1.219,658 2.052,659 0.913,660 16.098,661 0.998,662 1.12,663 4.154,664 17.253,665 0.706,666 3.296,667 3.638,668 3.97,669 4.29,670 4.533,671 4.564,672 4.71,673 4.828,674 4.883,675 4.905,676 5.181,677 0.677,678 301.38,679 3.296,680 4.844,681 5.72,682 6.619,683 7.515,684 8.42,685 9.324,686 10.233,687 11.141,688 12.052,689 13.2,693 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,722 1,731 38,733 22,734 2,735 26,737 41,738 18,739 17,740 3,741 9,746 4,747 5,761 17,762 1,777 1,778 1,781 15,782 4,783 2,784 5,790 5,794 0.75,803 1,806 1,811 1,812 3,815 1,840 3,844 1,848 23,849 1,877 11.167,878 7.217,879 5,880 2.136,881 4.243,882 1.576,883 1.054,884 3.232,885 11.604,886 3.638,887 4.321,888 5.015,889 5.691,890 6.275,891 6.602,892 7.098,893 7.561,894 7.906,895 8.274,896 0.833,897 38,898 8.42,900 3.585,901 7.616,902 16.14,904 13.288,905 2.116,906 48.667,910 153.024,911 121.231,912 84.908,917 121.231,918 153.024,919 84.908,920 8.396,922 118.183,923 63.72,924 25.282,925 2.328,926 141.253,928 153.024,929 206.139,933 153.024,937 14.867,938 141.037,939 50.234,941 153.024,942 84.908,943 121.231,946 153.024,947 18.93,948 104.078,950 83.131,951 153.024,952 84.908,953 121.231,955 0.583,956 0.354,957 0.205,958 0.115,959 20,960 8,961 0.049,962 2,963 1,964 1.095,965 3.508,966 195.644,967 0.095,968 21,969 100.042,974 13.77,975 5.398,976 2.326,977 1.526,978 83.131,979 19.974,980 12.968,984 4.552,985 1.734,986 32.897,987 359.163,988 37,999 37.927,1000 42.568,1001 0.272,1002 0.623,1003 0.733,1004 0.852,1005 0.912,1006 0.926,1007 4.856,1008 1.259,1009 5.707,1010 3.647,1011 4.317,1012 5.007,1014 6.561,1015 4.262,1016 6.092,1017 1,1018 7.287,1019 2.829,1020 3.892,1021 4.808,1023 7.548,1024 3.806,1025 7.415,1026 1,1027 8.973,1028 2.407,1029 5.938,1030 7.318,1032 10.712,1033 5.833,1034 8.783,1035 0.909,1036 10.724,1037 2.297,1038 6.382,1039 8.016,1041 12.582,1042 6.247,1043 10.186,1044 -0.24,1045 12.518,1046 2.136,1047 7.884,1048 9.953,1050 15.26,1051 7.731,1052 11.616,1053 -0.48,1054 14.34,1055 -0.564,1056 8.731,1057 11.091,1059 17.483,1060 8.545,1061 13.069,1062 -0.626,1063 16.184,1064 -1.139,1065 10.019,1066 12.787,1068 20.009,1069 9.813,1070 3.303,1071 -0.636,1072 18.044,1073 -1.506,1074 11.05,1075 14.141,1077 22.377,1078 10.809,1079 2.877,1080 11.873,1081 19.916,1082 -1.718,1083 12.26,1084 15.738,1086 24.858,1087 11.993,1088 2.462,1089 9.235,1090 21.799,1091 4.717,1092 13.372,1093 17.194,1095 27.285,1096 13.071,1097 2.261,1098 8.069,1099 23.69,1100 3.917,1101 14.557,1102 18.754,1104 29.755,1105 14.226,1106 1.872,1107 6.785,1108 25.588,1109 3.369,1110 15.707,1111 20.258,1113 32.207,1114 15.341,1115 1.527,1116 4.855,1117 27.492,1118 3.087,1119 16.886,1120 21.806,1122 34.676,1123 16.488,1124 1.313,1125 3.843,1126 29.401,1127 2.736,1128 18.054,1129 23.332,1131 37.139,1132 17.62,1133 5200,1134 8412,1135 17.8,1136 26.836,1137 40.037,1138 39.459,1139 40.66,1140 39.616,1141 39.568,1142 56.074,1144 115.951,1145 38.407,1146 5.431,1147 5.327,1148 6.788,1149 5.343,1150 5.303,1151 7.717,1153 19.212,1154 5.197,1155 8.185,1156 1.54,1157 1.518,1158 1.564,1159 1.524,1160 1.522,1161 2.157,1163 4.46,1164 1.477,1165 4.131,1166 4.176,1167 4.111,1168 4.021,1169 5.258,1170 4.032,1171 3.948,1172 3.979,1173 3.896,1174 3.856,1175 4.896,1176 3.867,1177 3.716,1178 3.752,1179 3.641,1180 3.641,1181 4.802,1182 3.638,1183 3.388,1184 3.487,1185 3.3,1186 3.095,1187 4.609,1188 3.131,1189 3.072,1190 3.139,1191 2.978,1192 2.936,1193 4.461,1194 2.935,1195 2.943,1196 3.052,1197 2.826,1198 2.841,1199 3.817,1200 2.829,1201 2.917,1202 2.991,1203 2.72,1204 2.735,1205 3.728,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.612,1211 3.674,1212 2.629,1213 0.182,1214 0.128,1215 0.269,1216 0.164,1217 0.127,1218 4.738,1219 0.181,1220 3.327,1222 6.986,1223 0.457,1224 4.271,1225 0.123,1226 3.303,1227 4.717,1229 11.873,1230 3.197,1231 2.003,1232 1.983,1233 2.094,1234 2.066,1235 1.212,1236 2.074,1237 1.836,1238 1.804,1239 1.923,1240 1.997,1241 1.014,1242 1.968,1243 1.728,1244 1.685,1245 1.837,1246 1.863,1247 0.892,1248 1.869,1249 1.41,1250 1.325,1251 1.637,1252 1.688,1253 0.668,1254 1.675,1255 1.048,1256 0.988,1257 1.229,1258 1.249,1259 0.298,1260 1.251,1261 0.958,1262 0.906,1263 1.188,1264 1.214,1265 0.246,1266 1.212,1267 0.886,1268 0.821,1269 1.181,1270 1.094,1271 0.218,1272 1.129,1273 0.833,1274 0.719,1275 1.162,1276 1.062,1277 0.007,1278 1.107,1279 3.97,1281 5.303,1282 2.398,1283 6.847,1284 4.844,1285 8.483,1286 7.05,1287 10.168,1289 1.86,1293 6.052,1305 25.741,1306 54.15,1307 124.163,1308 146.137,1309 169.911,1310 181.911,1311 184.666,1312 25.2,1313 7.361,1314 69.62,1315 69.62,1316 23,1317 12.568,1318 4.524,1319 3.585,1320 31.731,1321 71,1322 72,1323 0.222,1324 158.557,1325 255.52,1326 378.638,1327 14979,1329 15.811,1330 0.687,1331 0.55,1332 15.811,1333 12.64,1334 11.237,1335 0.432,1336 0.282,1337 7.244,1338 10.904,1339 7.048,1340 5.883,1341 11.237,1342 7.329,1343 10.111,1344 0.273,1345 0.145,1346 10.111,1347 5.377,1348 8.895,1349 0.171,1350 0.075,1351 8.895,1352 3.893,1353 7.843,1354 0.109,1355 0.039,1356 7.843,1357 2.788,1358 6.58,1359 0.072,1360 0.021,1361 6.58,1362 1.909,1363 0.338,1364 69.688,1365 0.237,1366 22.117,1367 0.643,1368 126,1369 327.893,1370 134.77,1371 331.481,1372 472.97,1373 312,1374 152,1375 370.589,1376 161.964,1377 380.331,1378 557.15,1379 358,1380 4}
{0 CHEMBL1242850,1 1.438,2 9.318,3 3.012,4 9.074,5 87.636,6 8.21,7 0.88,8 3.693,9 3.817,10 3.356,11 3.306,12 4.903,13 3.3,14 4.131,15 4.274,16 3.701,17 3.69,18 5.3,19 3.663,20 4.321,21 4.501,22 3.723,23 3.773,24 5.413,25 3.722,26 4.352,27 4.553,28 3.651,29 3.716,30 5.495,31 3.647,32 4.341,33 4.582,34 3.408,35 3.61,36 5.35,37 3.513,38 4.162,39 4.413,40 3.191,41 3.407,42 5.15,43 3.299,44 3.915,45 4.176,46 2.95,47 3.152,48 4.855,49 3.047,50 3.63,51 3.857,52 2.914,53 2.974,54 4.622,55 2.913,56 0.056,57 0.563,58 5.77,59 2.601,60 8.519,61 3.167,62 0.111,63 0.865,64 9.536,65 4.367,66 12.833,67 5.497,68 0.08,69 1.001,70 13.037,71 5.659,72 13.631,73 7.411,74 0.189,75 1.043,76 14.144,77 5.828,78 24.379,79 7.73,80 0.165,81 0.976,82 15.905,83 5.744,84 24.764,85 7.692,86 0.121,87 0.799,88 13.694,89 5.07,90 21.404,91 6.938,92 0.101,93 0.615,94 11.092,95 4.034,96 17.032,97 5.594,98 0.049,99 0.476,100 7.601,101 2.93,102 8.617,103 4.012,104 2,105 35,106 0.256,107 0.541,108 0.645,109 0.749,110 0.822,111 0.822,112 3.147,113 0.832,114 -5.15,115 -5.04,116 -4.72,119 48.6,142 9,143 4,146 1,147 1,148 1,161 1,163 1,164 1,165 1,168 1,172 13,174 1,175 4,177 1,178 2,180 2,183 17,185 1,186 1,187 2,192 1,195 16,198 1,199 4,201 2,202 3,203 1,204 3,206 1,207 12,209 1,212 5,217 4,220 9,222 2,224 5,229 3,232 5,234 2,237 4,242 2,245 3,247 1,250 4,255 3,258 2,260 1,263 5,268 4,271 1,273 2,275 584,276 15.345,277 15.345,278 15.345,279 15.345,280 15.345,281 12.794,282 3.162,283 9.097,284 15.567,285 12.353,286 12.353,287 12.353,288 12.353,289 12.353,290 8.638,291 2.5,292 4.297,293 12.698,294 3.691,295 2.093,296 1.508,297 0.922,298 0.514,299 0.514,300 3.851,303 1,304 1,305 1,306 460,307 1.871,310 44.08,311 185.427,314 83.958,318 1.562,319 12.61,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 46.5,331 205,332 4.667,333 3.245,334 6.884,335 4.203,336 3.23,337 4.626,339 11.489,340 3.142,341 4.236,342 2.857,343 6.146,344 3.853,345 2.855,346 3.887,348 9.061,349 2.847,350 3.867,351 2.492,352 5.825,353 3.451,354 2.475,355 3.396,357 7.918,358 2.416,359 3.428,360 2.071,361 5.034,362 2.931,363 2,364 2.817,366 5.678,367 1.881,368 3.358,369 1.88,370 4.606,371 2.863,372 1.88,373 2.756,375 4.81,376 1.827,377 3.015,378 1.53,379 4.316,380 2.485,381 1.53,382 2.26,384 3.911,385 1.457,386 2.668,387 1.191,388 3.81,389 2.161,390 1.189,391 1.747,393 2.79,394 1.154,395 2.5,396 1,397 3.493,398 2,399 1,400 1.5,402 2.536,403 1,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.307,416 1.964,417 1,418 1.5,420 2.136,421 0.961,422 2.17,423 0.763,424 3.247,425 1.677,426 0.721,427 1.028,428 1.779,429 0.688,430 1.09,431 -0.157,432 2.583,433 0.709,434 -0.258,435 -0.33,436 -0.61,437 -0.246,438 1.024,439 -0.35,440 2.366,441 0.556,442 -0.377,443 -0.51,445 -0.88,446 -0.356,447 0.662,448 -0.781,449 2.199,450 0.2,451 -0.782,452 -1.087,454 -1.854,455 -0.763,456 0.5,457 -1,458 2,460 -1,461 -1.5,463 -2.347,464 -0.963,465 10.5,466 0.477,467 0.432,468 0.02,469 34.75,470 1.58,471 20.5,472 0.932,473 14.25,474 0.648,475 12.135,476 0.552,477 21.3,478 0.609,479 22.479,480 1.022,481 6.993,482 0.318,483 3.833,484 0.174,485 0.038,487 0.333,493 0.926,494 0.952,495 0.718,496 0.778,497 1.093,498 0.731,499 0.69,500 0.926,501 0.802,502 0.923,503 0.722,504 0.887,505 0.771,506 1.131,507 0.885,508 1.08,509 0.761,510 1.015,511 0.668,512 1.009,513 1.017,514 1.151,515 0.775,516 1.136,517 1.228,518 0.939,519 1.156,520 0.995,521 1.072,522 1.051,523 1.035,524 0.98,525 1.077,526 1.034,527 1.084,528 1.056,529 0.982,530 0.889,531 0.968,532 0.913,533 1.126,534 0.933,535 0.842,536 1.052,537 0.768,538 0.912,539 0.703,540 0.846,541 3,542 0.037,543 2.667,544 1.375,545 0.957,546 0.514,547 0.325,548 0.217,549 0.153,550 0.084,551 5394,552 14136,553 2.205,554 37.1,556 9,558 1,559 3,564 1.642,565 2.129,566 3.188,567 1.024,569 1,571 1,573 50.323,574 1.438,575 3.036,576 3.621,577 4.207,578 4.615,579 4.615,580 2.699,581 3.88,582 4.432,583 3.328,584 768.805,585 7.595,586 8316.75,587 1,588 1,589 1,590 1,591 179.525,592 1.143,593 4.418,594 0.12,595 0.003,596 0.076,597 0.039,598 0.031,599 0.021,600 0.017,601 0.014,602 0.01,603 0.006,604 0.338,605 0.5,606 1,607 0.405,608 100.791,609 -0.02,610 0.125,611 0.029,612 0.107,613 -0.207,614 0.082,615 0.172,616 0.114,617 -0.013,618 -0.009,619 0.031,620 -0.032,621 0.049,622 -0.158,623 -0.005,624 -0.12,625 0.043,626 -0.08,627 0.296,628 -0.021,629 -0.089,630 -0.2,631 0.198,632 -0.199,633 -0.224,634 0.017,635 -0.137,636 -0.009,637 -0.135,638 -0.05,639 -0.104,640 -0.061,641 -0.031,642 -0.02,643 -0.071,644 -0.016,645 -0.058,646 0.017,647 0.109,648 0.118,649 -0.095,650 0.133,651 0.049,652 -0.122,653 0.237,654 0.093,655 0.133,656 0.172,657 1.235,658 1.949,659 0.955,660 17.05,661 1.001,662 1.119,663 3.916,664 15.336,665 0.716,666 3.258,667 3.584,668 3.912,669 4.205,670 4.407,671 4.443,672 4.585,673 4.727,674 4.787,675 4.828,676 5.512,677 0.692,678 287.35,679 3.258,680 4.796,681 5.666,682 6.553,683 7.438,684 8.331,685 9.222,686 10.118,687 11.012,688 11.91,689 14.3,693 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,722 1,731 35,733 22,734 2,735 25,737 38,738 17,739 17,740 3,741 9,746 4,747 5,761 17,777 1,778 1,781 13,782 4,783 3,784 5,790 5,794 0.75,803 1,806 1,811 1,812 3,815 1,840 3,848 22,849 1,877 10.333,878 6.267,879 4.806,880 1.958,881 4.188,882 1.576,883 1.075,884 3.008,885 11.461,886 3.611,887 4.28,888 4.969,889 5.629,890 6.185,891 6.508,892 7.003,893 7.484,894 7.827,895 8.225,896 1,897 35,898 8.041,900 3.442,901 7.644,902 15.358,904 12.687,905 2.144,906 47.167,910 117.711,911 112.834,912 99.794,917 112.834,918 117.711,919 99.794,922 118.183,923 63.72,924 40.168,925 2.328,926 105.94,928 117.711,929 212.629,933 117.711,937 29.754,938 132.641,939 50.234,941 117.711,942 99.794,943 112.834,946 117.711,947 18.93,948 93.905,949 16.663,950 83.131,951 117.711,952 99.794,953 112.834,955 0.579,956 0.351,957 0.2,958 0.105,959 19,960 7,961 0.053,962 2,963 1,964 1.095,965 3.528,966 179.598,967 0.095,968 21,969 90.107,974 12.839,975 5.153,976 2.224,977 1.407,978 83.131,979 19.889,980 12.503,981 2.893,984 4.526,986 49.56,987 330.34,988 36,999 35.043,1000 39.152,1001 0.28,1002 0.592,1003 0.706,1004 0.82,1005 0.9,1006 0.9,1007 4.816,1008 1,1009 5.638,1010 2.79,1011 4.263,1012 4.966,1014 6.469,1015 4.212,1016 6.041,1017 1,1018 7.203,1019 2.536,1020 3.761,1021 4.691,1023 7.427,1024 3.692,1025 7.354,1026 1,1027 8.874,1028 2.275,1029 5.861,1030 7.26,1032 10.569,1033 5.77,1034 8.711,1035 0.721,1036 10.612,1037 2.136,1038 6.256,1039 7.904,1041 12.42,1042 6.147,1043 10.105,1044 -0.258,1045 12.394,1046 1.779,1047 7.778,1048 9.866,1050 15.067,1051 7.65,1052 11.526,1053 -0.377,1054 14.207,1055 -0.61,1056 8.585,1057 10.959,1059 17.263,1060 8.435,1061 12.968,1062 -0.782,1063 16.041,1064 -0.88,1065 9.875,1066 12.661,1068 19.757,1069 9.706,1070 3.23,1071 -1,1072 17.892,1073 -1.854,1074 10.873,1075 13.977,1077 22.093,1078 10.677,1079 2.855,1080 11.489,1081 19.754,1082 -2.347,1083 12.073,1084 15.569,1086 24.54,1087 11.855,1088 2.475,1089 9.061,1090 21.627,1091 4.626,1092 13.156,1093 16.994,1095 26.933,1096 12.911,1097 2,1098 7.918,1099 23.507,1100 3.887,1101 14.324,1102 18.541,1104 29.37,1105 14.054,1106 1.88,1107 5.678,1108 25.394,1109 3.396,1110 15.448,1111 20.019,1113 31.787,1114 15.148,1115 1.53,1116 4.81,1117 27.286,1118 2.817,1119 16.606,1120 21.55,1122 34.222,1123 16.28,1124 1.189,1125 3.911,1126 29.183,1127 2.756,1128 17.749,1129 23.052,1131 36.652,1132 17.393,1133 5009,1134 8241,1135 17.394,1136 25.074,1137 38.139,1138 37.707,1139 38.567,1140 37.794,1141 37.762,1142 54.035,1144 108.762,1145 36.747,1146 5.355,1147 5.245,1148 6.686,1149 5.275,1150 5.23,1151 7.626,1153 18.667,1154 5.142,1155 5.697,1156 1.526,1157 1.508,1158 1.543,1159 1.512,1160 1.51,1161 2.161,1163 4.35,1164 1.47,1165 4.117,1166 4.162,1167 4.094,1168 4.012,1169 5.279,1170 4.021,1171 3.947,1172 3.979,1173 3.895,1174 3.854,1175 4.923,1176 3.865,1177 3.712,1178 3.749,1179 3.639,1180 3.634,1181 4.813,1182 3.633,1183 3.29,1184 3.391,1185 3.228,1186 3.023,1187 4.608,1188 3.057,1189 3.03,1190 3.12,1191 2.942,1192 2.819,1193 4.468,1194 2.843,1195 2.885,1196 2.953,1197 2.769,1198 2.735,1199 3.769,1200 2.715,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.674,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.68,1211 3.674,1212 2.7,1213 0.187,1214 0.13,1215 0.275,1216 0.168,1217 0.129,1218 4.667,1219 0.185,1220 3.245,1222 6.884,1223 0.46,1224 4.203,1225 0.126,1226 3.23,1227 4.626,1229 11.489,1230 3.142,1231 2.002,1232 1.981,1233 2.093,1234 2.064,1235 1.209,1236 2.074,1237 1.837,1238 1.806,1239 1.924,1240 1.985,1241 1.015,1242 1.958,1243 1.714,1244 1.672,1245 1.806,1246 1.851,1247 0.841,1248 1.854,1249 1.255,1250 1.183,1251 1.367,1252 1.578,1253 0.353,1254 1.528,1255 0.965,1256 0.892,1257 1.181,1258 1.221,1259 0.218,1260 1.213,1261 0.886,1262 0.821,1263 1.181,1264 1.134,1265 0.218,1266 1.134,1267 0.886,1268 0.821,1269 1.178,1270 1.062,1271 0.127,1272 1.107,1273 0.811,1274 0.74,1275 1.091,1276 1.062,1277 0.032,1278 1.107,1279 3.932,1281 5.252,1282 2.398,1283 6.786,1284 4.727,1285 8.411,1286 6.862,1287 10.082,1293 5.949,1305 24.214,1306 50.323,1307 106.267,1308 126.731,1309 147.26,1310 161.525,1311 161.525,1312 23.209,1313 7.273,1314 80.48,1315 80.48,1316 23,1317 12.434,1318 4.524,1319 3.585,1320 30.032,1321 73,1322 70,1323 0.205,1324 148.964,1325 238.22,1326 355.233,1327 13665,1329 14.941,1330 0.679,1331 0.531,1332 14.941,1333 11.692,1334 10.826,1335 0.433,1336 0.277,1337 6.859,1338 10.528,1339 6.727,1340 5.593,1341 10.826,1342 6.932,1343 9.56,1344 0.273,1345 0.143,1346 9.56,1347 4.998,1348 8.539,1349 0.174,1350 0.075,1351 8.539,1352 3.652,1353 7.459,1354 0.113,1355 0.039,1356 7.459,1357 2.542,1358 5.961,1359 0.074,1360 0.021,1361 5.961,1362 1.666,1363 0.319,1364 67.064,1365 0.24,1366 21.651,1367 0.571,1368 120,1369 316.58,1370 128.076,1371 321.028,1372 456.47,1373 302,1374 144,1375 355.226,1376 152.77,1377 364.44,1378 532.86,1379 344,1380 4}
{0 CHEMBL1242852,1 1.581,2 10.414,3 4.284,4 18.354,5 112.643,6 7.406,7 0.625,8 4.077,9 4.207,10 3.644,11 3.569,12 5.204,13 3.562,14 4.615,15 4.801,16 4.08,17 3.97,18 5.737,19 3.958,20 4.835,21 5.018,22 4.11,23 4.115,24 5.929,25 4.083,26 4.984,27 5.231,28 4.162,29 4.137,30 6.096,31 4.091,32 4.847,33 5.045,34 3.993,35 4.07,36 6.005,37 4.03,38 4.783,39 4.97,40 3.964,41 4.121,42 5.861,43 4.04,44 4.931,45 5.189,46 3.745,47 4.098,48 5.852,49 3.946,50 4.81,51 5.113,52 3.544,53 3.841,54 5.679,55 3.67,56 0.061,57 0.833,58 11.02,59 4.436,60 11.323,61 6.071,62 0.4,63 1.304,64 21.226,65 7.388,66 35.811,67 10.562,68 0.374,69 1.548,70 26.904,71 8.665,72 36.059,73 12.112,74 0.467,75 1.667,76 33.62,77 10.305,78 57.093,79 15.254,80 0.55,81 1.496,82 28.372,83 8.01,84 71.536,85 11.216,86 0.241,87 1.513,88 24.621,89 9.274,90 35.73,91 13.076,92 0.306,93 1.573,94 31.192,95 10.806,96 45.403,97 16.276,98 0.414,99 1.243,100 29.915,101 10.09,102 47.325,103 15.403,104 56,105 49,106 0.261,107 0.617,108 0.704,109 0.774,110 0.78,111 0.78,112 3.409,113 0.89,114 -4.67,115 -4.59,116 -4.32,119 39.6,120 5,127 1,130 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,159 1,161 1,163 1,164 1,165 1,166 1,172 5,174 5,175 13,177 1,178 1,180 1,183 10,185 1,186 1,187 7,195 6,198 2,199 21,201 3,202 3,204 1,207 5,209 1,212 11,217 2,220 3,222 2,223 1,224 10,229 4,232 13,234 4,236 1,237 2,242 1,245 10,247 1,249 4,250 2,252 1,253 1,258 5,262 2,263 2,275 1243,276 18.74,277 18.74,278 18.74,279 18.74,280 18.74,281 16.412,282 18.93,283 10.514,284 19.226,285 15.787,286 15.787,287 15.787,288 15.787,289 15.787,290 12.085,291 20.54,292 4.956,293 16.569,294 4.147,295 1.983,296 1.46,297 1.034,298 0.996,299 0.996,300 4.095,304 1,305 1,306 646,307 4.183,310 120.57,311 141.361,314 219.401,318 1.819,319 27.931,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 302,332 4.766,333 3.844,334 7.04,335 4.308,336 3.343,337 4.742,338 2.172,339 12.09,340 3.227,341 4.588,342 3.376,343 6.714,344 4.149,345 3.207,346 4.52,347 0.262,348 10.894,349 3.023,350 4.151,351 3.25,352 6.418,353 4,354 3.042,355 3.453,357 10.044,358 2.897,359 3.916,360 2.914,361 6.145,362 3.571,363 2.61,364 3.208,366 8.818,367 2.502,368 3.78,369 2.67,370 5.787,371 3.406,372 2.45,373 3.154,375 7.702,376 2.337,377 3.541,378 2.425,379 5.515,380 3.126,381 2.152,382 2.822,384 6.85,385 2.08,386 3.051,387 1.827,388 4.82,389 2.684,390 1.743,391 2.321,393 4.818,394 1.637,395 3.016,396 1.706,397 4.538,398 2.519,399 1.546,400 2.181,402 4.248,403 1.506,404 2.972,405 1.546,406 4.381,407 2.442,408 1.478,409 2.123,411 4.054,412 1.412,413 2.638,414 1.316,415 3.921,416 2.098,417 1.146,418 1.656,420 2.944,421 1.081,422 2.478,423 1.032,424 3.852,425 1.969,426 1.007,427 1.458,428 2.695,429 0.965,430 2.136,431 0.838,432 3.489,433 1.769,434 0.806,435 1.037,436 2.033,437 0.775,438 1.976,439 0.763,440 3.222,441 1.474,442 0.498,443 0.718,445 1.269,446 0.483,447 1.062,448 0.566,449 2.891,450 0.633,451 -0.284,452 -0.359,454 -0.667,455 -0.259,456 0.888,457 -0.148,458 2.666,459 0.527,460 -0.417,461 -0.495,463 -1.179,464 -0.385,465 13.567,466 0.468,467 1.104,468 0.038,469 37.5,470 1.293,471 18,472 0.621,473 19.5,474 0.672,475 26.923,476 0.928,477 31.433,478 0.593,479 29.563,480 1.019,481 7.011,482 0.242,483 6.643,484 0.229,485 0.238,486 0.037,487 0.391,493 0.8,494 1.411,495 0.782,496 1.163,497 0.791,498 0.995,499 0.611,500 1.032,501 0.61,502 0.848,503 0.428,504 0.744,505 1.464,506 1.222,507 1.09,508 1.054,509 0.931,510 1.024,511 0.962,512 0.914,513 0.749,514 0.844,515 0.99,516 0.77,517 1.931,518 0.934,519 1.328,520 0.851,521 2.244,522 0.968,523 0.912,524 1.282,525 1.173,526 1.287,527 0.954,528 1.277,529 0.627,530 1.122,531 1.142,532 1.247,533 0.703,534 1.266,535 0.349,536 0.839,537 0.763,538 0.976,539 0.459,540 0.949,541 7.5,542 0.183,543 4,544 3.111,545 2.372,546 1.198,547 0.97,548 0.458,549 0.371,550 0.309,551 9954,552 25487,553 2.021,554 45.3,556 5,557 1,558 1,559 2,561 15,564 1.72,565 1.822,566 3.327,567 0.262,569 1,573 83.792,574 1.581,575 3.745,576 4.268,577 4.694,578 4.732,579 4.732,580 2.755,581 4.487,582 4.828,583 3.553,584 1442.59,585 8.415,586 19017.6,588 1,590 1,591 303.58,592 1.723,593 4.745,594 0.234,595 0.009,596 0.082,597 0.063,598 0.047,599 0.028,600 0.023,601 0.015,602 0.015,603 0.015,604 0.53,605 0.17,606 1,607 1.264,608 145.816,610 -0.172,611 0.064,612 -0.084,613 -0.134,614 -0.013,615 0.361,616 0.086,617 0.32,618 0.17,619 0.271,620 0.228,621 -0.237,622 -0.129,623 -0.137,624 -0.059,625 -0.113,626 -0.083,627 0.076,628 0.073,629 0.249,630 0.115,631 0.142,632 0.198,633 -0.479,634 0.147,635 -0.335,636 0.093,637 -0.377,638 -0.066,639 -0.14,640 -0.173,641 -0.283,642 -0.237,643 -0.142,644 -0.281,645 -0.036,646 -0.137,647 -0.206,648 -0.238,649 -0.112,650 -0.247,651 0.304,652 0.007,653 0.236,654 0.022,655 0.179,656 0.099,657 2.076,658 5.48,659 0.621,660 28.124,661 1.004,662 1.135,663 3.443,664 11.855,665 0.657,666 3.497,667 3.912,668 4.19,669 4.543,670 4.771,671 4.949,672 5.106,673 5.288,674 5.384,675 5.553,676 6.446,677 0.628,678 392.51,679 3.497,680 5.094,681 5.969,682 6.901,683 7.799,684 8.733,685 9.643,686 10.577,687 11.493,688 12.426,689 11.3,693 1,697 2,699 3,703 4,704 6,705 3,709 3,710 2,711 20,722 1,727 1,731 53,733 21,734 1,735 32,737 56,738 21,739 13,740 3,741 3,742 1,746 4,747 6,752 5,758 1,761 14,762 7,763 1,766 1,771 1,775 1,778 1,781 24,782 6,783 2,784 8,790 6,794 0.5,795 2,803 1,806 1,807 1,811 2,812 2,815 2,840 2,844 5,848 29,849 1,856 1,858 1,860 1,870 3.8,873 1,875 1,877 15.917,878 11.25,879 6.042,880 3.183,881 4.162,882 1.52,883 0.973,884 4.68,885 12.161,886 3.784,887 4.494,888 5.178,889 5.891,890 6.454,891 6.938,892 7.452,893 7.993,894 8.367,895 8.859,896 0.857,897 49,898 10.707,900 4.609,901 7.756,902 20.294,904 16.755,905 2.256,906 65.417,908 1,909 1,910 258.964,911 123.735,912 86.807,914 36.145,917 123.735,918 295.109,919 86.807,920 44.126,922 79.85,923 88.865,924 34.382,925 23.006,926 235.422,928 258.964,929 210.542,930 36.145,933 82.398,934 212.711,937 60.892,938 99.416,939 50.234,941 258.964,942 122.952,943 123.735,946 258.964,947 24.038,948 103.373,950 119.276,951 258.964,952 122.952,953 123.735,955 0.607,956 0.339,957 0.193,958 0.105,959 26,960 13,961 0.071,962 4,963 2,964 1.222,965 3.84,966 270.503,967 0.222,968 18,969 134.127,974 19.558,975 6.94,976 3.521,977 3.094,978 119.276,979 10.827,980 13.268,984 1.993,985 3.353,986 32.897,987 505.651,988 43,993 12.48,997 -0.41,999 53.218,1000 60.145,1001 0.276,1002 0.654,1003 0.745,1004 0.82,1005 0.826,1006 0.826,1007 5.069,1008 1.546,1009 6.033,1010 4.818,1011 4.595,1012 5.182,1013 2.221,1014 6.946,1015 4.504,1016 6.347,1017 1.478,1018 7.662,1019 4.248,1020 4.511,1021 5.255,1022 1.784,1023 8.146,1024 4.379,1025 7.709,1026 1.146,1027 9.393,1028 4.054,1029 6.333,1030 7.541,1031 3.463,1032 11.207,1033 6.149,1034 9.107,1035 1.007,1036 11.18,1037 2.944,1038 6.995,1039 8.42,1040 3.553,1041 13.157,1042 6.766,1043 10.536,1044 0.806,1045 13.001,1046 2.695,1047 8.384,1048 10.24,1049 4.87,1050 15.8,1051 8.11,1052 11.987,1053 0.498,1054 14.844,1055 2.033,1056 9.346,1057 11.488,1058 5.235,1059 18.042,1060 9.026,1061 13.455,1062 -0.284,1063 16.703,1064 1.269,1065 10.589,1066 13.131,1067 6.339,1068 20.552,1069 10.227,1070 3.343,1071 -0.417,1072 18.574,1073 -0.667,1074 11.675,1075 14.545,1076 6.865,1077 22.917,1078 11.267,1079 3.207,1080 12.09,1081 20.454,1082 -1.179,1083 12.869,1084 16.121,1085 7.84,1086 25.387,1087 12.42,1088 3.042,1089 10.894,1090 22.341,1091 4.742,1092 14.007,1093 17.608,1094 8.462,1095 27.805,1096 13.515,1097 2.61,1098 10.044,1099 24.235,1100 4.52,1101 15.187,1102 19.159,1103 9.359,1104 30.267,1105 14.654,1106 2.45,1107 8.818,1108 26.134,1109 3.453,1110 16.349,1111 20.677,1112 10.041,1113 32.711,1114 15.774,1115 2.152,1116 7.702,1117 28.037,1118 3.208,1119 17.527,1120 22.22,1121 10.891,1122 35.174,1123 16.913,1124 1.743,1125 6.85,1126 29.944,1127 3.154,1128 18.699,1129 23.752,1130 11.609,1131 37.633,1132 18.045,1133 9709,1134 15708,1135 20.403,1136 34.796,1137 51.082,1138 51.493,1139 52.06,1140 50.085,1141 50.058,1142 66.792,1143 4.868,1144 156.918,1145 47.847,1146 5.618,1147 5.844,1148 6.568,1149 5.383,1150 5.343,1151 7.742,1152 3.872,1153 19.573,1154 5.227,1155 18.692,1156 1.596,1157 1.609,1158 1.627,1159 1.565,1160 1.564,1161 2.087,1162 0.152,1163 4.904,1164 1.495,1165 4.186,1166 4.223,1167 4.162,1168 4.081,1169 7.434,1170 4.094,1171 4.037,1172 4.083,1173 4.015,1174 3.876,1175 5.257,1176 3.906,1177 3.722,1178 3.767,1179 3.607,1180 3.558,1181 4.931,1182 3.557,1183 3.578,1184 3.655,1185 3.445,1186 3.414,1187 4.828,1188 3.404,1189 3.453,1190 3.5,1191 3.379,1192 3.301,1193 4.551,1194 3.316,1195 3.151,1196 3.233,1197 3.071,1198 2.924,1199 4.502,1200 2.934,1201 3.094,1202 3.12,1203 2.988,1204 2.865,1205 4.199,1206 2.917,1207 2.988,1208 3.094,1209 2.868,1210 2.681,1211 4.021,1212 2.721,1213 0.149,1214 0.12,1215 0.22,1216 0.135,1217 0.104,1218 4.766,1219 0.148,1220 3.844,1221 0.068,1222 7.04,1223 0.378,1224 4.308,1225 0.101,1226 3.343,1227 4.742,1228 2.172,1229 12.09,1230 3.227,1231 1.969,1232 1.95,1233 2.034,1234 2.056,1235 1.199,1236 2.046,1237 1.809,1238 1.763,1239 1.949,1240 2.009,1241 1.143,1242 1.985,1243 1.703,1244 1.656,1245 1.944,1246 1.909,1247 1.118,1248 1.915,1249 1.62,1250 1.556,1251 1.78,1252 1.82,1253 0.867,1254 1.82,1255 1.514,1256 1.463,1257 1.649,1258 1.715,1259 0.704,1260 1.702,1261 1.2,1262 1.152,1263 1.417,1264 1.417,1265 0.469,1266 1.394,1267 0.971,1268 0.916,1269 1.417,1270 1.274,1271 0.469,1272 1.308,1273 0.934,1274 0.804,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.174,1281 5.565,1282 3.045,1283 7.128,1284 5.476,1285 8.776,1286 7.662,1287 10.471,1289 9.614,1293 6.153,1297 5.483,1299 0.123,1301 -0.562,1305 33.299,1306 83.792,1307 198.46,1308 226.222,1309 248.786,1310 250.786,1311 250.786,1312 50.925,1313 7.998,1314 100.85,1315 100.85,1316 22,1317 12.929,1318 4.459,1319 3.585,1320 44.72,1321 113,1322 104,1323 0.2,1324 205.048,1325 338.64,1326 492.076,1327 31697,1329 20.922,1330 0.721,1331 0.592,1332 20.922,1333 17.171,1334 13.654,1335 0.427,1336 0.297,1337 9.346,1338 13.041,1339 8.92,1340 7.509,1341 13.654,1342 9.49,1343 13.937,1344 0.284,1345 0.169,1346 13.937,1347 8.284,1348 10.567,1349 0.163,1350 0.07,1351 10.567,1352 4.561,1353 9.693,1354 0.104,1355 0.036,1356 9.693,1357 3.318,1358 7.531,1359 0.064,1360 0.019,1361 7.531,1362 2.199,1363 0.311,1364 85.941,1365 0.221,1366 27.129,1367 0.561,1368 162,1369 461.009,1370 181.601,1371 447.98,1372 627.97,1373 418,1374 195,1375 493.075,1376 214.442,1377 497.117,1378 733.57,1379 465,1380 5.592}
{0 CHEMBL1242853,1 1.556,2 11.065,3 4.96,4 24.601,5 119.889,6 7.343,7 0.571,8 4.157,9 4.285,10 3.723,11 3.67,12 5.233,13 3.658,14 4.725,15 4.904,16 4.159,17 4.103,18 5.79,19 4.075,20 4.985,21 5.191,22 4.161,23 4.22,24 5.985,25 4.163,26 5.055,27 5.311,28 4.228,29 4.198,30 6.126,31 4.154,32 4.912,33 5.105,34 4.107,35 4.164,36 6.052,37 4.13,38 4.881,39 5.067,40 4.082,41 4.239,42 5.913,43 4.162,44 5.014,45 5.255,46 3.94,47 4.238,48 5.924,49 4.102,50 4.964,51 5.254,52 3.698,53 4.034,54 5.84,55 3.866,56 0.051,57 0.9,58 12.045,59 4.961,60 11.111,61 6.752,62 0.382,63 1.461,64 23.485,65 8.648,66 35.383,67 12.199,68 0.366,69 1.745,70 32.193,71 10.594,72 40.416,73 15.067,74 0.482,75 1.802,76 36.533,77 10.976,78 59.074,79 16.381,80 0.542,81 1.64,82 30.161,83 8.533,84 71.938,85 11.951,86 0.258,87 1.687,88 27.316,89 10.195,90 37.136,91 14.358,92 0.238,93 1.783,94 33.042,95 12.107,96 39.253,97 17.919,98 0.456,99 1.524,100 34.103,101 11.517,102 55.594,103 17.432,104 29,105 53,106 0.252,107 0.612,108 0.737,109 0.782,110 0.788,111 0.788,112 3.473,113 0.913,114 -5.11,115 -5,116 -4.69,119 40.4,120 3,121 4,127 1,130 1,142 4,143 3,146 1,147 1,148 1,151 1,152 1,159 1,161 1,163 1,164 1,165 1,166 1,172 8,174 5,175 13,177 1,178 1,180 1,183 12,185 1,186 1,187 9,195 6,198 2,199 23,201 3,202 3,204 1,207 5,209 1,212 13,217 2,220 5,222 2,223 1,224 10,229 4,232 15,234 4,236 1,237 4,242 3,245 14,247 3,249 4,250 2,252 1,253 1,258 9,262 2,263 2,271 2,275 1531,276 20.602,277 20.602,278 20.602,279 20.602,280 20.602,281 18.273,282 18.93,283 11.735,284 21.07,285 17.307,286 17.307,287 17.307,288 17.307,289 17.307,290 13.619,291 20.54,292 5.571,293 18.078,294 4.277,295 2.058,296 1.286,297 1.005,298 0.97,299 0.97,300 4.175,304 1,305 1,306 756,307 3.873,310 197.347,311 150.129,314 232.353,318 1.809,319 28.992,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 67,331 343,332 4.77,333 3.844,334 7.051,335 4.316,336 3.352,337 4.743,338 2.172,339 12.149,340 3.234,341 4.589,342 3.39,343 6.714,344 4.15,345 3.209,346 4.52,347 0.262,348 10.896,349 3.025,350 4.152,351 3.251,352 6.419,353 4.001,354 3.044,355 3.456,357 10.046,358 2.898,359 3.941,360 2.926,361 6.242,362 3.674,363 2.707,364 3.233,366 9.236,367 2.614,368 3.821,369 2.767,370 5.834,371 3.454,372 2.488,373 3.157,375 7.937,376 2.396,377 3.542,378 2.426,379 5.519,380 3.126,381 2.153,382 2.822,384 6.868,385 2.08,386 3.239,387 2.04,388 5.078,389 2.948,390 1.993,391 2.366,393 5.689,394 1.898,395 3.047,396 1.708,397 4.538,398 2.519,399 1.548,400 2.318,402 4.255,403 1.507,404 2.977,405 1.547,406 4.381,407 2.444,408 1.481,409 2.169,411 4.061,412 1.413,413 2.653,414 1.418,415 4.235,416 2.307,417 1.344,418 1.699,420 3.529,421 1.291,422 2.608,423 1.311,424 3.915,425 2.096,426 1.144,427 1.612,428 2.929,429 1.08,430 2.414,431 1.005,432 3.658,433 1.929,434 0.973,435 1.378,436 2.502,437 0.926,438 1.993,439 0.764,440 3.251,441 1.664,442 0.684,443 0.805,445 1.743,446 0.669,447 1.849,448 0.703,449 3.221,450 1.618,451 0.618,452 0.704,454 1.372,455 0.618,456 1.618,457 0.618,458 3,459 1.472,460 0.496,461 0.618,463 1.267,464 0.481,465 14.567,466 0.47,467 1.029,468 0.033,469 39,470 1.258,471 18,472 0.581,473 21,474 0.677,475 29.865,476 0.963,477 33.433,478 0.587,479 30.222,480 0.975,481 6.986,482 0.225,483 7.829,484 0.253,485 0.153,486 0.034,487 0.364,493 0.785,494 1.359,495 0.781,496 1.13,497 0.732,498 0.978,499 0.595,500 1.079,501 0.706,502 0.953,503 0.413,504 0.862,505 1.309,506 1.225,507 1.042,508 1.078,509 0.831,510 1.037,511 1.002,512 0.879,513 0.711,514 0.762,515 0.983,516 0.695,517 1.988,518 0.937,519 1.295,520 0.807,521 2.285,522 0.918,523 0.97,524 1.204,525 1.175,526 1.201,527 1.009,528 1.214,529 0.59,530 1.232,531 1.113,532 1.297,533 0.656,534 1.282,535 0.496,536 0.883,537 0.938,538 1.037,539 0.623,540 1.051,541 7,542 0.183,543 4,544 2.889,545 2.212,546 1.167,547 0.955,548 0.471,549 0.346,550 0.3,551 12684,552 29923,553 2.112,554 45.6,555 4,556 5,557 1,558 1,559 2,561 13,564 1.738,565 1.948,566 3.41,567 0.225,573 88.712,574 1.556,575 3.775,576 4.547,577 4.828,578 4.863,579 4.863,580 2.934,581 4.607,582 4.923,583 3.628,584 1687.17,585 8.611,586 23274.9,588 1,591 332.475,592 1.633,593 4.868,594 0.2,595 0.008,596 0.075,597 0.057,598 0.04,599 0.024,600 0.02,601 0.012,602 0.012,603 0.012,604 0.46,605 0.17,606 0.88,607 1.064,608 159.337,609 0.008,610 -0.13,611 0.071,612 -0.052,613 -0.073,614 0.007,615 0.338,616 0.042,617 0.214,618 0.076,619 0.261,620 0.117,621 -0.153,622 -0.187,623 -0.073,624 -0.086,625 -0.043,626 -0.075,627 0.081,628 0.11,629 0.301,630 0.18,631 0.158,632 0.263,633 -0.48,634 0.171,635 -0.297,636 0.127,637 -0.368,638 -0.025,639 -0.168,640 -0.083,641 -0.277,642 -0.166,643 -0.182,644 -0.229,645 -0.016,646 -0.219,647 -0.192,648 -0.274,649 -0.081,650 -0.263,651 0.191,652 0.022,653 0.048,654 -0.053,655 0.066,656 -0.03,657 2.066,658 5.552,659 0.742,660 31.288,661 1.002,662 1.133,663 3.877,664 15.029,665 0.659,666 3.584,667 3.989,668 4.29,669 4.654,670 4.868,671 5.081,672 5.293,673 5.497,674 5.613,675 5.762,676 6.727,677 0.629,678 418.55,679 3.584,680 5.176,681 6.057,682 6.986,683 7.887,684 8.82,685 9.733,686 10.667,687 11.586,688 12.521,689 10.5,693 1,697 2,699 3,703 4,704 6,705 3,709 3,710 2,711 20,722 1,727 1,731 57,733 21,734 1,735 35,737 61,738 23,739 13,740 3,741 3,742 1,746 5,747 7,752 3,755 5,758 5,761 14,762 9,763 1,766 1,771 1,775 1,781 26,782 6,783 2,784 8,790 6,794 0.6,795 2,803 1,806 1,807 1,811 3,812 2,815 2,840 3,844 3,848 31,849 1,854 4,856 1,858 1,860 1,870 3.5,873 1,875 1,877 15.917,878 11.25,879 6.458,880 3.6,881 4.138,882 1.496,883 0.998,884 4.836,885 12.481,886 3.85,887 4.538,888 5.216,889 5.926,890 6.488,891 6.987,892 7.521,893 8.065,894 8.45,895 8.938,896 1,897 51,898 11.494,900 5.046,901 7.675,902 22.146,904 18.944,905 2.175,906 67.417,908 1,909 1,910 282.506,911 116.223,912 86.807,914 36.145,917 116.223,918 318.651,919 86.807,920 26.476,921 10.138,922 79.85,923 88.865,924 34.382,925 23.006,926 258.964,928 282.506,929 203.03,930 36.145,933 129.482,934 189.169,937 53.38,938 99.416,939 50.234,941 282.506,942 122.952,943 116.223,946 282.506,947 34.176,948 85.722,950 119.276,951 282.506,952 122.952,953 116.223,955 0.601,956 0.341,957 0.198,958 0.102,959 29,960 13,961 0.066,962 4,963 2,964 1.174,965 4.102,966 303.465,967 0.174,968 23,969 142.825,974 20.166,975 7.434,976 3.622,977 3.255,978 119.276,979 11.015,980 13.641,984 2.111,985 3.544,986 32.897,987 521.681,988 46,993 12.552,997 -0.399,999 57.101,1000 64.561,1001 0.267,1002 0.647,1003 0.78,1004 0.828,1005 0.834,1006 0.834,1007 5.136,1008 1.548,1009 6.103,1010 5.689,1011 4.673,1012 5.226,1013 2.221,1014 7.008,1015 4.589,1016 6.393,1017 1.481,1018 7.721,1019 4.255,1020 4.511,1021 5.255,1022 1.784,1023 8.181,1024 4.379,1025 7.747,1026 1.344,1027 9.443,1028 4.061,1029 6.395,1030 7.56,1031 3.463,1032 11.257,1033 6.222,1034 9.139,1035 1.144,1036 11.224,1037 3.529,1038 7.022,1039 8.427,1040 3.553,1041 13.201,1042 6.798,1043 10.564,1044 0.973,1045 13.041,1046 2.929,1047 8.433,1048 10.249,1049 4.87,1050 15.847,1051 8.169,1052 12.011,1053 0.684,1054 14.882,1055 2.502,1056 9.38,1057 11.493,1058 5.235,1059 18.088,1060 9.066,1061 13.477,1062 0.618,1063 16.74,1064 1.743,1065 10.63,1066 13.135,1067 6.339,1068 20.6,1069 10.276,1070 3.352,1071 0.496,1072 18.61,1073 1.372,1074 11.71,1075 14.549,1076 6.865,1077 22.965,1078 11.308,1079 3.209,1080 12.149,1081 20.49,1082 1.267,1083 12.906,1084 16.124,1085 7.84,1086 25.437,1087 12.464,1088 3.044,1089 10.896,1090 22.377,1091 4.743,1092 14.042,1093 17.61,1094 8.462,1095 27.857,1096 13.554,1097 2.707,1098 10.046,1099 24.27,1100 4.52,1101 15.223,1102 19.162,1103 9.359,1104 30.321,1105 14.695,1106 2.488,1107 9.236,1108 26.169,1109 3.456,1110 16.383,1111 20.679,1112 10.041,1113 32.769,1114 15.812,1115 2.153,1116 7.937,1117 28.073,1118 3.233,1119 17.562,1120 22.223,1121 10.891,1122 35.235,1123 16.951,1124 1.993,1125 6.868,1126 29.98,1127 3.157,1128 18.735,1129 23.754,1130 11.609,1131 37.698,1132 18.083,1133 11953,1134 18546,1135 23.175,1136 37.557,1137 54.996,1138 55.7,1139 55.312,1140 54.55,1141 54.467,1142 71.198,1143 4.868,1144 168.962,1145 52.26,1146 5.672,1147 5.844,1148 6.647,1149 5.392,1150 5.352,1151 7.743,1152 3.872,1153 19.697,1154 5.234,1155 16.588,1156 1.571,1157 1.591,1158 1.58,1159 1.559,1160 1.556,1161 2.034,1162 0.139,1163 4.827,1164 1.493,1165 4.191,1166 4.23,1167 4.166,1168 4.084,1169 7.434,1170 4.098,1171 4.048,1172 4.092,1173 4.021,1174 3.896,1175 5.257,1176 3.921,1177 3.797,1178 3.854,1179 3.672,1180 3.68,1181 4.931,1182 3.672,1183 3.718,1184 3.764,1185 3.603,1186 3.555,1187 4.826,1188 3.554,1189 3.454,1190 3.504,1191 3.385,1192 3.303,1193 4.551,1194 3.317,1195 3.246,1196 3.332,1197 3.173,1198 2.966,1199 4.501,1200 3.003,1201 3.102,1202 3.12,1203 3.021,1204 2.899,1205 4.227,1206 2.927,1207 2.996,1208 3.094,1209 2.889,1210 2.756,1211 4.1,1212 2.784,1213 0.136,1214 0.11,1215 0.201,1216 0.123,1217 0.096,1218 4.77,1219 0.136,1220 3.844,1221 0.062,1222 7.051,1223 0.347,1224 4.316,1225 0.092,1226 3.352,1227 4.743,1228 2.172,1229 12.149,1230 3.234,1231 1.969,1232 1.95,1233 2.034,1234 2.055,1235 1.244,1236 2.045,1237 1.803,1238 1.759,1239 1.946,1240 1.998,1241 1.211,1242 1.967,1243 1.702,1244 1.656,1245 1.893,1246 1.906,1247 1.196,1248 1.913,1249 1.597,1250 1.539,1251 1.86,1252 1.793,1253 1.118,1254 1.793,1255 1.577,1256 1.507,1257 1.756,1258 1.751,1259 0.877,1260 1.786,1261 1.513,1262 1.463,1263 1.649,1264 1.712,1265 0.704,1266 1.7,1267 1.195,1268 1.15,1269 1.417,1270 1.397,1271 0.469,1272 1.379,1273 0.969,1274 0.916,1275 1.417,1276 1.273,1277 0.469,1278 1.308,1279 4.263,1281 5.645,1282 3.434,1283 7.203,1284 5.778,1285 8.845,1286 7.888,1287 10.536,1289 5.562,1293 6.252,1295 4.591,1297 5.514,1299 0.336,1301 -0.558,1305 35.826,1306 88.712,1307 215.151,1308 259.191,1309 275.191,1310 277.191,1311 277.191,1312 51.496,1313 8.343,1314 100.85,1315 100.85,1316 27,1317 13.022,1318 4.459,1319 3.585,1320 43.608,1321 125,1322 120,1323 0.173,1324 216.839,1325 360.88,1326 520.847,1327 48753,1329 21.75,1330 0.702,1331 0.581,1332 21.75,1333 18,1334 14.815,1335 0.423,1336 0.304,1337 10.508,1338 14.212,1339 10.175,1340 8.465,1341 14.815,1342 10.652,1343 14.738,1344 0.278,1345 0.172,1346 14.738,1347 9.129,1348 11.716,1349 0.163,1350 0.08,1351 11.716,1352 5.743,1353 10.855,1354 0.104,1355 0.042,1356 10.855,1357 4.361,1358 8.16,1359 0.063,1360 0.02,1361 8.16,1362 2.59,1363 0.269,1364 92.912,1365 0.208,1366 28.735,1367 0.485,1368 176,1369 475.009,1370 195.601,1371 461.5,1372 650.13,1373 432,1374 213,1375 511.075,1376 232.775,1377 514.389,1378 762.45,1379 483,1380 4}
{0 CHEMBL124660,1 1.513,2 18.659,3 4.674,4 21.849,5 160.828,6 6.781,7 0.378,8 4.504,9 4.634,10 3.996,11 3.959,12 5.494,13 3.939,14 5.097,15 5.3,16 4.334,17 4.349,18 6.041,19 4.305,20 5.358,21 5.586,22 4.406,23 4.521,24 6.247,25 4.445,26 5.406,27 5.651,28 4.362,29 4.536,30 6.305,31 4.436,32 5.403,33 5.647,34 4.34,35 4.538,36 6.32,37 4.425,38 5.395,39 5.648,40 4.265,41 4.494,42 6.233,43 4.371,44 5.334,45 5.596,46 4.214,47 4.386,48 6.216,49 4.276,50 5.196,51 5.433,52 4.174,53 4.308,54 6.094,55 4.223,56 0.024,57 1.222,58 19.498,59 7.398,60 11.437,61 10.634,62 0.525,63 1.928,64 37.858,65 11.851,66 41.638,67 17.627,68 0.686,69 2.317,70 49.892,71 15.383,72 52.388,73 23.063,74 0.658,75 2.371,76 52.334,77 16.533,78 64.144,79 24.92,80 0.805,81 2.338,82 52.247,83 17.276,84 75.439,85 25.516,86 0.566,87 2.283,88 51.688,89 16.851,90 57.591,91 25.38,92 0.884,93 2.115,94 49.652,95 14.519,96 73.048,97 22.414,98 0.548,99 1.914,100 42.617,101 12.756,102 48.867,103 19.345,104 22,105 61,106 0.229,107 0.508,108 0.715,109 0.799,110 0.824,111 0.824,112 3.741,113 0.984,114 -4.15,115 -4.09,116 -3.87,119 37.3,120 2,121 4,124 1,125 8,127 1,142 6,143 1,144 4,146 1,147 1,148 1,159 1,172 5,174 3,175 14,178 2,180 2,183 5,186 2,187 9,192 2,195 3,198 3,199 7,207 7,211 5,212 6,215 2,220 6,223 2,224 5,232 1,236 5,237 6,240 1,242 3,249 2,250 6,255 1,258 2,262 2,263 9,266 1,268 1,271 5,275 4089,276 28.093,277 28.093,278 28.093,279 28.093,280 28.093,281 26.004,282 40.814,283 16.851,284 29.056,285 22.201,286 22.201,287 22.201,288 22.201,289 22.201,290 18.876,291 55.107,292 7.968,293 23.635,294 4.862,295 3.028,296 1.661,297 1.106,298 0.943,299 0.943,300 4.448,305 1,306 1652,307 4.243,311 695.423,315 211.342,318 3.243,319 34.55,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 89,331 765,332 4.597,333 3.691,334 6.725,335 4.143,336 3.185,337 4.523,338 1.701,339 10.984,340 3.055,341 4.109,342 3.34,343 6.149,344 3.813,345 2.87,346 3.657,347 0.86,348 9.064,349 2.704,350 4.049,351 3.106,352 6.048,353 3.678,354 2.742,355 3.525,356 0.86,357 8.686,358 2.559,359 3.9,360 3.011,361 5.661,362 3.565,363 2.625,364 3.129,365 0.86,366 7.513,367 2.462,368 3.607,369 2.831,370 5.519,371 3.449,372 2.521,373 2.934,374 0.8,375 7.362,376 2.34,377 3.521,378 2.595,379 5.34,380 3.274,381 2.342,382 2.714,383 0.8,384 6.965,385 2.172,386 3.477,387 2.499,388 5.196,389 3.164,390 2.227,391 2.522,392 0.563,393 6.538,394 2.072,395 3.141,396 2.307,397 4.801,398 2.813,399 1.861,400 2.334,401 0.075,402 5.225,403 1.765,404 2.983,405 2.195,406 4.415,407 2.75,408 1.812,409 2.051,411 4.53,412 1.695,413 2.903,414 2.029,415 4.351,416 2.604,417 1.629,418 1.997,420 4.046,421 1.585,422 2.731,423 1.7,424 4.024,425 2.446,426 1.497,427 1.753,428 3.39,429 1.41,430 2.589,431 1.559,432 3.882,433 2.307,434 1.387,435 1.584,436 3.134,437 1.271,438 2.5,439 1.464,440 3.7,441 2.196,442 1.237,443 1.5,445 3.119,446 1.174,447 2.401,448 1.376,449 3.447,450 2.002,451 1.073,452 1.366,454 2.578,455 1,456 2.252,457 1.146,458 3.414,459 2,460 1,461 1.214,463 2.275,464 0.988,465 19.233,466 0.469,467 0.848,468 0.021,469 48,470 1.171,471 20,472 0.488,473 28,474 0.683,475 42.849,476 1.045,477 46.767,478 0.563,479 39.363,480 0.96,481 9.074,482 0.221,483 10.921,484 0.266,485 0.095,487 0.296,493 0.859,494 1.654,495 0.862,496 1.349,497 0.646,498 1.137,499 1.143,500 1.073,501 0.965,502 0.977,503 0.664,504 0.94,505 1.237,506 1.063,507 1.021,508 0.975,509 0.934,510 0.963,511 1.054,512 1.046,513 1.003,514 1.02,515 1.244,516 1.003,517 0.931,518 0.993,519 1.003,520 1.042,521 1.335,522 1.041,523 0.939,524 1.151,525 0.99,526 1.117,527 0.935,528 1.075,529 1.054,530 0.941,531 0.995,532 0.917,533 0.839,534 0.94,535 1.264,536 1.094,537 1.064,538 1.036,539 1.092,540 1.018,541 7.5,542 0.264,543 4,544 2.125,545 2.293,546 1.25,547 0.926,548 0.63,549 0.448,550 0.345,551 33017,552 72394,553 2.105,554 50.6,555 2,556 26,558 1,559 1,561 10,562 2,564 1.801,565 2,566 4.128,567 -0.376,573 125.561,574 1.513,575 3.347,576 4.714,577 5.269,578 5.432,579 5.432,580 3.647,581 4.87,582 5.318,583 4.34,584 3558.6,585 9.376,586 67410.3,591 529.128,592 1.282,593 5.302,594 0.167,595 0.006,596 0.066,597 0.033,598 0.038,599 0.022,600 0.017,601 0.013,602 0.009,603 0.007,604 0.377,605 0.33,606 0.63,607 0.801,608 239.147,609 -0.005,610 -0.347,611 0.084,612 -0.165,613 0.016,614 -0.047,616 0.083,617 0.041,618 0.044,619 0.121,620 0.049,621 -0.077,622 -0.008,623 -0.013,624 0.026,625 -0.003,626 0.019,627 -0.031,628 -0.02,629 -0.011,630 -0.023,631 -0.028,632 -0.015,633 0.082,634 0.019,635 -0.017,636 -0.03,637 -0.033,638 -0.042,639 0.006,640 -0.165,641 -0.012,642 -0.109,643 -0.047,644 -0.072,645 0.064,646 0.046,647 0.017,648 0.029,649 0.065,650 0.017,651 -0.094,652 -0.057,653 -0.052,654 -0.058,655 -0.065,656 -0.048,657 1.779,658 5.911,659 0.683,660 71.748,661 0.998,662 1.136,663 2.92,664 8.526,665 0.633,666 3.829,667 4.127,668 4.382,669 4.635,670 4.89,671 4.956,672 5.13,673 5.252,674 5.375,675 5.464,676 10.427,677 0.596,678 562.79,679 3.829,680 5.361,681 6.201,682 7.066,683 7.923,684 8.794,685 9.661,686 10.537,687 11.41,688 12.29,689 7.2,692 1,695 1,696 2,699 2,703 2,704 7,705 2,709 5,711 17,726 1,729 3,731 83,733 18,734 2,735 45,737 87,738 31,739 14,740 6,741 6,746 5,747 6,751 1,752 2,755 3,758 5,761 15,762 16,766 1,771 1,775 1,781 42,782 10,783 1,784 10,790 6,794 0.8,795 4,806 1,812 5,816 1,836 1,840 4,844 3,848 41,854 12,855 1,856 3,858 1,859 3,870 4.8,873 1,875 3,877 20.5,878 15.583,879 9.139,880 5.374,881 3.332,882 1.377,883 0.964,884 10.415,885 12.159,886 4.016,887 4.543,888 5.077,889 5.637,890 6.214,891 6.493,892 6.88,893 7.216,894 7.519,895 7.579,896 0.923,897 64,898 15.239,900 6.347,901 7.565,902 29.822,904 24.38,905 2.065,906 84.667,910 482.615,911 153.288,912 60.955,914 58.145,917 153.288,918 540.76,919 60.955,920 28.533,921 50.606,922 56.857,923 70.487,924 71.071,925 6.604,926 470.844,928 482.615,929 214.243,930 58.145,933 341.362,934 199.398,937 82.143,938 98.529,939 33.571,941 482.615,942 119.099,943 153.288,946 482.615,947 59.278,948 103.382,949 18.011,950 91.716,951 482.615,952 119.099,953 153.288,955 0.571,956 0.328,957 0.18,958 0.1,959 27,960 12,961 0.115,962 10,963 1,964 1.071,965 5.231,966 395.481,967 0.071,968 28,969 205.66,974 29.679,975 14.388,976 7.936,977 1.721,978 119.099,979 12.966,980 9.132,984 3.743,986 18.011,987 755.002,988 54.5,993 12.911,997 -0.113,999 82.825,1000 94.301,1001 0.237,1002 0.525,1003 0.74,1004 0.827,1005 0.852,1006 0.852,1007 5.259,1008 1.861,1009 6.163,1010 6.538,1011 4.812,1012 5.231,1013 2.549,1014 6.938,1015 4.694,1016 6.417,1017 1.812,1018 7.696,1019 5.225,1020 4.29,1021 4.977,1022 1.494,1023 7.766,1024 4.108,1025 7.699,1026 1.629,1027 9.328,1028 4.53,1029 6.368,1030 7.35,1031 2.805,1032 10.856,1033 6.134,1034 9.014,1035 1.497,1036 11.02,1037 4.046,1038 6.673,1039 7.967,1040 2.523,1041 12.537,1042 6.376,1043 10.367,1044 1.387,1045 12.752,1046 3.39,1047 8.193,1048 9.83,1049 3.483,1050 15.139,1051 7.854,1052 11.744,1053 1.237,1054 14.513,1055 3.134,1056 8.899,1057 10.877,1058 3.619,1059 17.193,1060 8.503,1061 13.142,1062 1.073,1063 16.294,1064 3.119,1065 10.179,1066 12.529,1067 4.385,1068 19.632,1069 9.745,1070 3.185,1071 1,1072 18.092,1073 2.578,1074 11.09,1075 13.8,1076 4.719,1077 21.859,1078 10.606,1079 2.87,1080 10.984,1081 19.903,1082 2.275,1083 12.267,1084 15.361,1085 5.379,1086 24.249,1087 11.748,1088 2.742,1089 9.064,1090 21.724,1091 4.523,1092 13.283,1093 16.747,1094 5.808,1095 26.558,1096 12.72,1097 2.625,1098 8.686,1099 23.555,1100 3.657,1101 14.421,1102 18.27,1103 6.411,1104 28.936,1105 13.822,1106 2.521,1107 7.513,1108 25.394,1109 3.525,1110 15.492,1111 19.716,1112 6.887,1113 31.285,1114 14.852,1115 2.342,1116 7.362,1117 27.239,1118 3.129,1119 16.618,1120 21.225,1121 7.458,1122 33.664,1123 15.943,1124 2.227,1125 6.965,1126 29.091,1127 2.934,1128 17.719,1129 22.701,1130 7.96,1131 36.034,1132 17.005,1133 31085,1134 46350,1135 30.512,1136 52.557,1137 66.4,1138 67.816,1139 67.682,1140 66.189,1141 66.184,1142 80.073,1143 13.04,1144 184.219,1145 62.35,1146 5.597,1147 5.691,1148 6.527,1149 5.225,1150 5.185,1151 7.523,1152 2.972,1153 18.176,1154 5.055,1155 18.625,1156 1.476,1157 1.507,1158 1.504,1159 1.471,1160 1.471,1161 1.779,1162 0.29,1163 4.094,1164 1.386,1165 4.087,1166 4.12,1167 4.057,1168 3.977,1169 7.429,1170 3.992,1171 3.933,1172 3.964,1173 3.876,1174 3.834,1175 5.092,1176 3.838,1177 3.859,1178 3.928,1179 3.725,1180 3.701,1181 4.861,1182 3.696,1183 3.786,1184 3.843,1185 3.695,1186 3.589,1187 4.754,1188 3.606,1189 3.59,1190 3.651,1191 3.478,1192 3.414,1193 4.473,1194 3.406,1195 3.571,1196 3.63,1197 3.419,1198 3.398,1199 4.427,1200 3.393,1201 3.439,1202 3.488,1203 3.317,1204 3.221,1205 4.333,1206 3.25,1207 3.299,1208 3.351,1209 3.216,1210 3.02,1211 4.286,1212 3.065,1213 0.102,1214 0.082,1215 0.149,1216 0.092,1217 0.071,1218 4.597,1219 0.101,1220 3.691,1221 0.038,1222 6.725,1223 0.244,1224 4.143,1225 0.068,1226 3.185,1227 4.523,1228 1.701,1229 10.984,1230 3.055,1231 2.006,1232 1.984,1233 2.072,1234 2.138,1235 1.418,1236 2.118,1237 1.888,1238 1.863,1239 2.058,1240 2.029,1241 1.299,1242 2.043,1243 1.836,1244 1.77,1245 1.999,1246 2.017,1247 1.175,1248 2.011,1249 1.731,1250 1.667,1251 1.921,1252 1.94,1253 1.125,1254 1.938,1255 1.581,1256 1.517,1257 1.863,1258 1.787,1259 1.094,1260 1.813,1261 1.558,1262 1.496,1263 1.828,1264 1.762,1265 1.013,1266 1.785,1267 1.345,1268 1.3,1269 1.59,1270 1.616,1271 0.825,1272 1.6,1273 1.175,1274 1.12,1275 1.513,1276 1.484,1277 0.825,1278 1.456,1279 4.511,1281 5.814,1283 7.314,1285 8.905,1287 10.546,1289 5.633,1295 11.506,1296 2.991,1297 17.52,1299 0.106,1300 6.549,1305 49.47,1306 125.561,1307 277.832,1308 391.296,1309 437.354,1310 450.864,1311 450.864,1312 74.498,1313 8.828,1314 92.29,1315 92.29,1316 30,1317 12.828,1318 4.248,1319 3.392,1320 66.785,1321 251,1322 273,1323 0.125,1324 301.57,1325 527.76,1326 727.591,1327 110217,1329 28.606,1330 0.698,1331 0.597,1332 28.606,1333 24.473,1334 19.996,1335 0.444,1336 0.328,1337 14.497,1338 19.002,1339 14.139,1340 11.709,1341 19.996,1342 14.754,1343 17.611,1344 0.289,1345 0.179,1346 17.611,1347 10.917,1348 14.504,1349 0.184,1350 0.096,1351 14.504,1352 7.568,1353 12.161,1354 0.119,1355 0.053,1356 12.161,1357 5.441,1358 10.068,1359 0.076,1360 0.029,1361 10.068,1362 3.85,1363 0.205,1364 126.469,1365 0.181,1366 37.724,1367 0.32,1368 212,1369 603.501,1370 237.526,1371 565.996,1372 780.93,1373 536,1374 246,1375 578.93,1376 272.114,1377 578.441,1378 848.02,1379 544,1380 5}
{0 CHEMBL1255605,1 1.762,2 10.138,3 3.179,4 10.107,5 108.9,6 8.531,7 0.688,8 3.998,9 4.095,10 3.82,11 3.578,12 5.139,13 3.551,14 4.509,15 4.655,16 4.099,17 3.928,18 5.835,19 3.911,20 4.67,21 4.823,22 4.118,23 4.021,24 5.924,25 3.991,26 4.725,27 4.913,28 4.064,29 4.01,30 5.913,31 3.955,32 4.703,33 4.909,34 4.037,35 3.987,36 5.797,37 3.935,38 4.681,39 4.869,40 4.07,41 3.994,42 5.935,43 3.95,44 4.714,45 4.925,46 4.054,47 4.002,48 5.786,49 3.942,50 4.67,51 4.855,52 4.041,53 3.967,54 5.842,55 3.877,56 0.126,57 0.767,58 10.223,59 4.617,60 15.266,61 4.894,62 0.42,63 1.195,64 19.711,65 7.413,66 52.5,67 8.189,68 0.424,69 1.37,70 21.423,71 8.091,72 51.56,73 8.931,74 0.529,75 1.438,76 22.888,77 8.512,78 50.823,79 10.193,80 0.404,81 1.376,82 24.759,83 8.498,84 45.148,85 10.902,86 0.564,87 1.394,88 20.558,89 7.371,90 57.851,91 9.31,92 0.39,93 1.409,94 23.949,95 8.245,96 36.908,97 10.666,98 0.587,99 1.308,100 23.335,101 8.762,102 39.261,103 10.75,104 30,105 47,106 0.294,107 0.635,108 0.784,109 0.867,110 0.874,111 0.874,112 3.409,113 0.999,114 -4.77,115 -4.68,116 -4.4,119 41.7,124 3,142 8,143 2,144 3,145 1,147 1,149 1,161 1,166 1,172 6,174 3,175 8,178 1,180 3,183 7,186 1,187 9,192 1,195 3,198 2,199 10,202 4,204 2,207 3,212 8,217 2,220 3,223 5,224 11,229 1,232 4,237 5,242 1,245 6,249 5,250 7,253 2,258 5,262 2,263 2,271 5,275 1314,276 19.237,277 19.237,278 19.237,279 19.237,280 19.237,281 16.377,282 20.115,283 11.026,284 19.902,285 15.755,286 15.755,287 15.755,288 15.755,289 15.755,290 11.306,291 28.84,292 5.178,293 16.808,294 3.823,295 1.772,296 0.881,297 0.381,298 0.339,299 0.339,300 4.101,304 1,305 1,306 630,307 3.536,310 64.39,311 244.518,314 114.13,318 1.541,319 33.887,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63.5,331 294,332 4.809,333 5.18,334 7.118,335 4.209,336 3.327,337 4.674,338 2.95,339 11.703,340 3.056,341 4.643,342 3.251,343 6.724,344 4.136,345 3.196,346 4.604,347 0.86,348 10.952,349 2.873,350 4.093,351 2.919,352 6.097,353 3.674,354 2.709,355 3.683,356 0.4,357 8.894,358 2.591,359 4.077,360 2.814,361 5.739,362 3.653,363 2.694,364 3.675,366 7.962,367 2.574,368 3.688,369 2.575,370 5.494,371 3.259,372 2.327,373 3.122,375 7.126,376 2.164,377 3.369,378 2.495,379 4.944,380 2.905,381 1.96,382 2.747,384 5.687,385 1.843,386 3.288,387 2.144,388 4.764,389 2.802,390 1.84,391 2.554,393 5.254,394 1.761,395 2.833,396 1.626,397 4.365,398 2.302,399 1.353,400 1.977,402 3.794,403 1.279,404 2.728,405 1.448,406 4.279,407 2.262,408 1.298,409 1.819,411 3.772,412 1.247,413 2.666,414 1.284,415 3.76,416 2.171,417 1.195,418 1.74,420 2.692,421 1.163,422 2.597,423 1.19,424 3.493,425 2.094,426 1.107,427 1.637,428 2.562,429 1.09,430 2.344,431 0.938,432 3.471,433 1.837,434 0.895,435 1.278,436 2.313,437 0.841,438 1.584,439 0.925,440 2.962,441 1.294,442 0.43,443 0.482,445 0.627,446 0.368,447 1.345,448 0.653,449 2.76,450 0.959,451 0.03,452 0.038,454 0.083,455 0.028,456 1.001,457 0.174,458 2.689,459 0.586,460 -0.361,461 -0.47,463 -0.939,464 -0.341,465 13.833,466 0.477,467 0.911,468 0.031,469 43.25,470 1.491,471 24,472 0.828,473 19.25,474 0.664,475 20.677,476 0.713,477 30.567,478 0.637,479 34.391,480 1.186,481 8.482,482 0.292,483 5.365,484 0.185,485 0.157,486 0.06,487 0.318,493 0.627,494 1.298,495 0.787,496 1.19,497 0.693,498 0.918,499 0.935,500 1.026,501 0.946,502 0.952,503 0.616,504 0.772,505 1.288,506 1.239,507 1.047,508 1.024,509 1.239,510 1.003,511 0.972,512 0.999,513 0.963,514 0.953,515 1.015,516 1.045,517 0.88,518 1.12,519 0.791,520 0.91,521 0.769,522 0.883,523 0.823,524 1.036,525 0.847,526 0.809,527 0.672,528 0.952,529 0.845,530 1.035,531 0.803,532 0.89,533 0.63,534 0.915,535 0.652,536 1.018,537 1.005,538 1.089,539 0.712,540 1.125,541 7.5,542 0.116,543 3.556,544 2.069,545 1.667,546 1.274,547 0.71,548 0.563,549 0.54,550 0.313,551 9943,552 31037,553 2.061,554 39.6,556 17,558 1,559 1,564 1.725,565 1.902,566 3.324,567 -0.268,568 1,569 1,573 84.564,574 1.762,575 3.813,576 4.704,577 5.204,578 5.246,579 5.246,580 2.75,581 4.556,582 4.829,583 3.485,584 1414.76,585 8.443,586 18769.8,588 1,590 1,591 268.078,592 1.636,593 4.769,594 0.234,595 0.007,596 0.076,597 0.044,598 0.039,599 0.03,600 0.016,601 0.013,602 0.014,603 0.01,604 0.483,605 0.17,606 1,607 0.871,608 145.362,609 0.076,610 -0.133,611 0.194,612 -0.083,613 -0.165,614 -0.002,615 0.059,616 0.066,617 0.031,618 0.067,619 0.238,620 0.143,621 -0.241,622 -0.174,623 -0.168,624 -0.088,625 -0.151,626 -0.111,627 -0.038,628 0.052,629 -0.115,630 -0.067,631 -0.116,632 -0.133,633 -0.068,634 -0.129,635 0.089,636 0.011,637 -0.024,638 0.093,639 0.045,640 0.05,641 -0.066,642 0.025,643 0.085,644 -0.065,645 -0.081,646 -0.01,647 0.066,648 0.014,649 -0.035,650 0.046,651 0.257,652 0.001,653 -0.02,654 -0.089,655 0.056,656 -0.159,657 4.259,658 4.931,659 0.724,660 25.7,661 1.016,662 1.124,663 3.538,664 12.521,665 0.695,666 3.497,667 3.871,668 4.127,669 4.394,670 4.654,671 4.779,672 4.97,673 5.13,674 5.257,675 5.357,676 6.223,677 0.669,678 409.51,679 3.497,680 5.069,681 5.927,682 6.828,683 7.707,684 8.609,685 9.497,686 10.402,687 11.295,688 12.201,689 10.4,697 2,699 3,703 2,704 9,705 3,709 6,710 1,711 22,724 1,729 1,731 48,733 24,734 2,735 32,737 51,738 20,739 17,740 4,741 8,746 4,747 5,761 17,762 3,766 2,769 1,771 2,778 1,781 19,782 7,783 1,784 9,785 1,790 5,794 0.75,795 3,803 1,806 1,811 1,812 3,815 1,840 3,842 1,844 3,848 29,851 1,855 1,856 1,870 6.3,873 2,875 1,877 15.25,878 9.717,879 6.194,880 2.536,881 4.196,882 1.54,883 1.012,884 4.989,885 11.962,886 3.829,887 4.535,888 5.123,889 5.747,890 6.326,891 6.711,892 7.225,893 7.704,894 8.118,895 8.551,896 0.857,897 47,898 10.844,900 4.82,901 7.888,902 20.089,904 16.492,905 2.388,906 69.25,909 1,910 211.88,911 139.054,912 70.021,914 55.313,916 6.046,917 133.008,918 267.193,919 70.021,920 26.47,922 81.856,923 108.033,924 57.472,925 2.328,926 200.109,928 211.88,929 203.029,930 55.313,931 6.046,933 214.208,934 55.313,937 30.55,938 119.917,939 56.28,941 211.88,942 125.334,943 139.054,945 6.046,946 211.88,947 21.681,948 113.104,949 18.011,950 105.547,951 211.88,952 125.334,953 139.054,955 0.596,956 0.341,957 0.176,958 0.099,959 24,960 11,961 0.098,962 5,963 1,964 1.095,965 3.915,966 265.518,967 0.095,968 21,969 138.881,973 1,974 19.372,975 7.468,976 3.95,977 1.378,978 123.558,979 15.754,980 13.518,984 3.292,985 1.65,986 18.011,987 476.268,988 45,991 -3.342,993 23.862,999 48.753,1000 53.946,1001 0.315,1002 0.683,1003 0.842,1004 0.932,1005 0.939,1006 0.939,1007 5.078,1008 1.353,1009 5.964,1010 5.254,1011 4.554,1012 5.223,1013 3.006,1014 6.83,1015 4.428,1016 6.351,1017 1.298,1018 7.566,1019 3.794,1020 4.369,1021 5.338,1023 7.984,1024 4.113,1025 7.718,1026 1.195,1027 9.275,1028 3.772,1029 6.252,1030 7.609,1031 5.034,1032 11.01,1033 5.977,1034 9.125,1035 1.107,1036 11.048,1037 2.692,1038 6.847,1039 8.516,1041 12.948,1042 6.422,1043 10.564,1044 0.895,1045 12.862,1046 2.562,1047 8.265,1048 10.318,1049 7.185,1050 15.559,1051 7.813,1052 12.026,1053 0.43,1054 14.704,1055 2.313,1056 9.19,1057 11.569,1059 17.796,1060 8.595,1061 13.507,1062 0.03,1063 16.566,1064 0.627,1065 10.444,1066 13.199,1067 9.348,1068 20.282,1069 9.8,1070 3.327,1071 -0.361,1072 18.444,1073 0.083,1074 11.511,1075 14.605,1077 22.638,1078 10.739,1079 3.196,1080 11.703,1081 20.335,1082 -0.939,1083 12.709,1084 16.17,1085 11.511,1086 25.086,1087 11.868,1088 2.709,1089 10.952,1090 22.235,1091 4.674,1092 13.838,1093 17.644,1095 27.49,1096 12.883,1097 2.694,1098 8.894,1099 24.144,1100 4.604,1101 15.019,1102 19.186,1103 13.675,1104 29.929,1105 13.983,1106 2.327,1107 7.962,1108 26.059,1109 3.683,1110 16.176,1111 20.691,1113 32.353,1114 15.035,1115 1.96,1116 7.126,1117 27.979,1118 3.675,1119 17.354,1120 22.226,1121 15.838,1122 34.792,1123 16.126,1124 1.84,1125 5.687,1126 29.904,1127 3.122,1128 18.526,1129 23.746,1131 37.226,1132 17.198,1133 9609,1134 17147,1135 20.978,1136 33.37,1137 48.874,1138 51.169,1139 50.046,1140 48.774,1141 48.721,1142 68.061,1143 8.42,1144 146.841,1145 45.754,1146 5.587,1147 7.18,1148 6.711,1149 5.287,1150 5.327,1151 7.674,1152 5.9,1153 18.879,1154 5.056,1155 15.815,1156 1.527,1157 1.599,1158 1.564,1159 1.524,1160 1.523,1161 2.127,1162 0.263,1163 4.589,1164 1.43,1165 4.14,1166 4.175,1167 4.735,1168 4.104,1169 7.716,1170 4.035,1171 4.026,1172 4.013,1173 4.087,1174 3.919,1175 6.999,1176 3.91,1177 3.887,1178 3.916,1179 3.832,1180 3.794,1181 5.15,1182 3.798,1183 3.658,1184 3.658,1185 3.704,1186 3.593,1187 4.868,1188 3.531,1189 3.359,1190 3.437,1191 3.283,1192 3.1,1193 4.717,1194 3.13,1195 3.241,1196 3.309,1197 3.083,1198 2.973,1199 4.502,1200 2.986,1201 3.056,1202 3.123,1203 2.954,1204 2.901,1205 4.378,1206 2.902,1207 2.963,1208 3.058,1209 2.769,1210 2.776,1211 4.053,1212 2.764,1213 0.15,1214 0.162,1215 0.222,1216 0.132,1217 0.104,1218 4.809,1219 0.146,1220 5.18,1221 0.092,1222 7.118,1223 0.366,1224 4.209,1225 0.095,1226 3.327,1227 4.674,1228 2.95,1229 11.703,1230 3.056,1231 2,1232 2.005,1233 2.024,1234 2.088,1235 1.229,1236 2.098,1237 1.894,1238 1.872,1239 1.982,1240 1.995,1241 1.079,1242 2.008,1243 1.767,1244 1.748,1245 1.807,1246 1.908,1247 0.959,1248 1.905,1249 1.532,1250 1.537,1251 1.659,1252 1.739,1253 0.819,1254 1.733,1255 1.437,1256 1.344,1257 1.583,1258 1.652,1259 0.686,1260 1.689,1261 1.198,1262 1.126,1263 1.569,1264 1.512,1265 0.573,1266 1.53,1267 1.032,1268 0.977,1269 1.226,1270 1.229,1271 0.276,1272 1.24,1273 0.953,1274 0.885,1275 1.182,1276 1.193,1277 0.228,1278 1.193,1279 4.174,1281 5.533,1282 2.398,1283 7.079,1284 4.727,1285 8.707,1286 6.823,1287 10.379,1289 4.574,1296 3.287,1297 5.276,1305 32.126,1306 84.564,1307 183.02,1308 225.814,1309 249.814,1310 251.814,1311 251.814,1312 51.179,1313 7.766,1314 99,1315 107.38,1316 23,1317 12.722,1318 4.644,1319 3.807,1320 44.423,1321 108,1322 114,1323 0.203,1324 200.861,1325 335,1326 481.86,1327 24402,1329 20.596,1330 0.71,1331 0.584,1332 20.846,1333 16.934,1334 13.847,1335 0.433,1336 0.333,1337 8.77,1338 12.451,1339 8.299,1340 6.938,1341 14.741,1342 10.654,1343 13.406,1344 0.285,1345 0.182,1346 14.793,1347 8.574,1348 10.733,1349 0.176,1350 0.091,1351 11.477,1352 5.555,1353 8.821,1354 0.11,1355 0.045,1356 9.341,1357 3.617,1358 7.352,1359 0.071,1360 0.024,1361 7.839,1362 2.488,1363 0.312,1364 96.477,1365 0.218,1366 27.074,1367 0.578,1368 158,1369 506.98,1370 207.968,1371 509.77,1372 697.26,1373 472,1374 187,1375 499.619,1376 243.118,1377 539.061,1378 778.9,1379 501,1380 7.252}
{0 CHEMBL1255813,1 1.565,2 17.558,3 3.638,4 13.237,5 165.509,6 7.144,7 0.367,8 4.524,9 4.656,10 4.071,11 3.981,12 5.514,13 3.978,14 5.129,15 5.325,16 4.447,17 4.409,18 6.1,19 4.38,20 5.396,21 5.626,22 4.486,23 4.595,24 6.276,25 4.52,26 5.444,27 5.706,28 4.408,29 4.561,30 6.338,31 4.458,32 5.364,33 5.631,34 4.409,35 4.476,36 6.341,37 4.405,38 5.205,39 5.419,40 4.408,41 4.458,42 6.161,43 4.405,44 5.261,45 5.472,46 4.417,47 4.556,48 6.191,49 4.479,50 5.428,51 5.656,52 4.37,53 4.655,54 6.299,55 4.515,56 0.033,57 1.309,58 18.442,59 6.751,60 9.143,61 9.844,62 0.689,63 2.123,64 37.546,65 11.49,66 47.188,67 16.934,68 0.685,69 2.578,70 50.205,71 15.098,72 49.625,73 23.292,74 0.579,75 2.571,76 53.752,77 16.205,78 63.368,79 25.529,80 0.858,81 2.359,82 50.632,83 13.577,84 88.592,85 21.999,86 0.456,87 2.238,88 40.507,89 12.283,90 46.189,91 18.877,92 0.7,93 2.368,94 42.555,95 13.895,96 48.341,97 20.867,98 0.445,99 2.54,100 50.576,101 20.372,102 58.711,103 28.816,104 5,105 69,106 0.237,107 0.521,108 0.686,109 0.773,110 0.797,111 0.801,112 3.787,113 0.934,114 -4.26,115 -4.2,116 -3.97,119 37.8,121 2,124 1,125 10,127 2,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 6,178 2,179 1,180 4,183 6,186 3,187 8,192 4,195 4,198 3,199 15,204 5,211 4,212 12,215 1,217 4,224 13,227 2,229 1,232 6,236 5,237 2,240 1,245 12,249 2,250 4,253 6,258 10,263 8,271 2,275 4198,276 29.772,277 29.772,278 29.772,279 29.772,280 29.772,281 27.611,282 47.901,283 17.572,284 30.752,285 24.261,286 24.261,287 24.261,288 24.261,289 24.261,290 20.875,291 75.442,292 8.432,293 25.855,294 4.793,295 2.91,296 1.821,297 1.247,298 1.082,299 1.058,300 4.513,306 1714,307 3.391,310 111.75,311 931.42,312 152.521,318 2.819,319 36.409,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 93.5,331 755,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.165,342 3.461,343 6.278,344 3.887,345 2.942,346 3.703,347 0.86,348 9.552,349 2.801,350 4.143,351 3.137,352 6.148,353 3.837,354 2.89,355 3.61,356 0.86,357 9.075,358 2.741,359 3.986,360 3.135,361 6.022,362 3.684,363 2.74,364 3.193,365 0.8,366 8.657,367 2.566,368 3.835,369 2.832,370 5.563,371 3.559,372 2.607,373 3.088,374 0.8,375 7.618,376 2.466,377 3.674,378 2.662,379 5.333,380 3.367,381 2.415,382 2.956,383 0.8,384 6.932,385 2.295,386 3.435,387 2.516,388 5.245,389 3.194,390 2.262,391 2.593,392 0.8,393 6.416,394 2.107,395 3.346,396 2.436,397 5.086,398 3.071,399 2.138,400 2.478,401 0.247,402 6.08,403 1.989,404 3.247,405 2.315,406 5.039,407 2.862,408 1.879,409 2.348,411 5.839,412 1.833,413 2.927,414 2.258,415 4.673,416 2.851,417 1.877,418 2.004,420 5.076,421 1.822,422 2.879,423 2.016,424 4.494,425 2.647,426 1.752,427 1.879,428 4.505,429 1.563,430 2.745,431 1.883,432 4.278,433 2.364,434 1.419,435 1.823,436 3.945,437 1.337,438 2.61,439 1.631,440 4.197,441 2.28,442 1.356,443 1.621,445 3.701,446 1.249,447 2.5,448 1.513,449 3.853,450 2.166,451 1.279,452 1.5,454 2.871,455 1.12,456 2.5,457 1.277,458 3.532,459 2,460 1.053,461 1.5,463 2.608,464 1,465 20.1,466 0.467,467 0.93,468 0.022,469 53.25,470 1.238,471 22,472 0.512,473 31.25,474 0.727,475 42.463,476 0.988,477 47.7,478 0.582,479 44.538,480 1.036,481 10.21,482 0.237,483 10.876,484 0.253,485 0.041,487 0.328,493 0.888,494 1.689,495 0.802,496 1.289,497 0.638,498 1.064,499 1.148,500 1.019,501 0.977,502 0.924,503 0.662,504 0.924,505 1.087,506 1.125,507 1.058,508 1.02,509 0.885,510 1.026,511 0.846,512 1.147,513 0.948,514 1.061,515 0.852,516 1.021,517 1.004,518 0.872,519 0.879,520 0.739,521 1.356,522 0.765,523 1.097,524 1.189,525 1.025,526 1.038,527 1.243,528 1.01,529 0.881,530 0.956,531 1.148,532 1.037,533 0.766,534 1.102,535 0.485,536 1.13,537 1.049,538 1.424,539 0.625,540 1.354,541 8,542 0.202,543 4.444,544 2.188,545 1.472,546 1.687,547 1.128,548 0.46,549 0.382,550 0.403,551 39200,552 87020,553 2.21,554 47.6,556 33,559 2,561 4,564 1.813,565 2.132,566 3.981,567 0.16,573 128.324,574 1.565,575 3.447,576 4.537,577 5.11,578 5.275,579 5.3,580 3.443,581 4.758,582 5.395,583 4.261,584 3847.52,585 9.525,586 74054.1,591 521.319,592 1.155,593 5.384,594 0.163,595 0.005,596 0.064,597 0.031,598 0.023,599 0.026,600 0.017,601 0.007,602 0.006,603 0.009,604 0.353,605 0.17,606 0.63,607 0.332,608 252.391,609 -0.033,610 -0.395,611 0.092,612 -0.161,613 0.003,614 -0.036,615 0.028,616 0.147,617 0.002,618 0.072,619 0.113,620 0.03,621 -0.1,622 -0.051,623 -0.085,624 -0.025,625 -0.042,626 -0.048,627 -0.01,628 -0.146,629 0.026,630 -0.079,631 0.041,632 -0.029,633 0.011,634 0.137,635 0.128,636 0.194,637 -0.005,638 0.188,639 -0.134,640 -0.057,641 -0.065,642 -0.034,643 -0.118,644 -0.035,645 -0.021,646 0.202,647 -0.207,648 -0.011,649 -0.063,650 -0.112,651 0.175,652 -0.117,653 -0.132,654 -0.314,655 0.115,656 -0.283,657 1.958,658 5.764,659 0.884,660 61.835,661 1.002,662 1.138,663 3.029,664 9.178,665 0.644,666 3.912,667 4.248,668 4.543,669 4.836,670 5.1,671 5.209,672 5.389,673 5.549,674 5.707,675 5.855,676 10.162,677 0.613,678 585.79,679 3.912,680 5.468,681 6.33,682 7.213,683 8.088,684 8.977,685 9.858,686 10.751,687 11.637,688 12.532,689 11,692 1,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 82,733 19,734 2,735 49,737 88,738 31,739 15,740 4,741 8,746 7,747 8,751 1,755 4,758 4,761 16,762 15,766 1,771 1,775 1,781 39,782 12,783 2,784 12,790 9,794 0.857,795 3,808 1,811 1,812 6,813 1,836 1,839 2,840 6,844 1,848 43,854 12,855 2,856 2,858 2,859 4,870 3.7,873 1,874 2,877 20.167,878 14.733,879 9.25,880 5.099,881 3.42,882 1.371,883 1.001,884 8.527,885 12.645,886 4.094,887 4.62,888 5.131,889 5.681,890 6.223,891 6.491,892 6.927,893 7.302,894 7.617,895 7.977,896 1,897 70,898 15.991,900 6.907,901 7.547,902 31.363,904 26.657,905 2.047,906 88,910 435.531,911 142.137,912 98.875,914 47.145,917 142.137,918 482.675,919 98.875,920 8.396,921 72.094,922 75.81,923 97.501,924 26.281,925 8.074,926 435.531,928 435.531,929 241.012,930 47.145,933 390.774,934 72.229,935 22,937 79.017,938 109.311,939 50.357,941 435.531,942 146.02,943 142.137,946 435.531,947 57.931,948 96.704,949 36.022,950 97.501,951 435.531,952 146.02,953 142.137,955 0.583,956 0.339,957 0.187,958 0.105,959 35,960 14,961 0.068,962 6,963 2,964 1.079,965 5.41,966 450.713,967 0.105,968 37,969 211.329,974 28.593,975 12.824,976 6.528,978 146.02,979 15.651,980 14.734,984 5.478,986 36.022,987 723.688,988 59,993 12.764,997 -0.292,999 82.152,1000 93.341,1001 0.246,1002 0.542,1003 0.714,1004 0.804,1005 0.83,1006 0.834,1007 5.364,1008 2.138,1009 6.304,1010 6.416,1011 4.934,1012 5.308,1013 2.534,1014 7.107,1015 4.814,1016 6.52,1017 1.879,1018 7.851,1019 6.08,1020 4.443,1021 4.966,1022 1.577,1023 7.962,1024 4.262,1025 7.801,1026 1.877,1027 9.495,1028 5.839,1029 6.521,1030 7.343,1031 2.723,1032 11.069,1033 6.279,1034 9.11,1035 1.752,1036 11.197,1037 5.076,1038 6.858,1039 7.805,1040 2.438,1041 12.786,1042 6.549,1043 10.452,1044 1.419,1045 12.939,1046 4.505,1047 8.377,1048 9.675,1049 3.344,1050 15.398,1051 8.011,1052 11.815,1053 1.356,1054 14.708,1055 3.945,1056 9.112,1057 10.522,1058 3.434,1059 17.49,1060 8.674,1061 13.195,1062 1.279,1063 16.499,1064 3.701,1065 10.394,1066 12.165,1067 4.184,1068 19.939,1069 9.898,1070 3.22,1071 1.053,1072 18.306,1073 2.871,1074 11.328,1075 13.224,1076 4.471,1077 22.2,1078 10.757,1079 2.942,1080 11.296,1081 20.127,1082 2.608,1083 12.51,1084 14.748,1085 5.119,1086 24.601,1087 11.878,1088 2.89,1089 9.552,1090 21.959,1091 4.057,1092 13.543,1093 15.931,1094 5.505,1095 26.938,1096 12.835,1097 2.74,1098 9.075,1099 23.8,1100 3.703,1101 14.687,1102 17.39,1103 6.093,1104 29.331,1105 13.914,1106 2.607,1107 8.657,1108 25.649,1109 3.61,1110 15.769,1111 18.649,1112 6.531,1113 31.705,1114 14.921,1115 2.415,1116 7.618,1117 27.506,1118 3.193,1119 16.902,1120 20.072,1121 7.084,1122 34.103,1123 15.984,1124 2.262,1125 6.932,1126 29.368,1127 3.088,1128 18.011,1129 21.379,1130 7.551,1131 36.496,1132 17.018,1133 35214,1134 52729,1135 34.096,1136 52.836,1137 74.081,1138 75.018,1139 74.775,1140 73.627,1141 73.602,1142 87.836,1143 13.646,1144 211.514,1145 69.22,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 13.487,1156 1.512,1157 1.531,1158 1.526,1159 1.503,1160 1.502,1161 1.793,1162 0.278,1163 4.317,1164 1.413,1165 4.049,1166 4.099,1167 3.999,1168 3.915,1169 7.431,1170 3.925,1171 3.954,1172 4.003,1173 3.892,1174 3.844,1175 5.078,1176 3.848,1177 3.901,1178 3.942,1179 3.824,1180 3.777,1181 4.766,1182 3.783,1183 3.795,1184 3.853,1185 3.706,1186 3.582,1187 4.699,1188 3.605,1189 3.742,1190 3.807,1191 3.63,1192 3.556,1193 4.631,1194 3.564,1195 3.578,1196 3.634,1197 3.505,1198 3.349,1199 4.596,1200 3.383,1201 3.394,1202 3.444,1203 3.337,1204 3.115,1205 4.355,1206 3.167,1207 3.174,1208 3.272,1209 3.012,1210 2.951,1211 4.075,1212 2.929,1213 0.09,1214 0.073,1215 0.139,1216 0.085,1217 0.066,1218 4.431,1219 0.083,1220 3.562,1221 0.034,1222 6.817,1223 0.231,1224 4.146,1225 0.061,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.936,1232 1.904,1233 2.048,1234 2.079,1235 1.304,1236 2.068,1237 1.914,1238 1.879,1239 2.016,1240 2.062,1241 1.255,1242 2.047,1243 1.749,1244 1.693,1245 1.922,1246 1.964,1247 1.208,1248 1.955,1249 1.708,1250 1.638,1251 1.908,1252 1.908,1253 1.187,1254 1.908,1255 1.662,1256 1.608,1257 1.86,1258 1.895,1259 1.1,1260 1.889,1261 1.604,1262 1.543,1263 1.853,1264 1.76,1265 1.049,1266 1.798,1267 1.44,1268 1.388,1269 1.547,1270 1.7,1271 0.825,1272 1.662,1273 1.255,1274 1.2,1275 1.528,1276 1.557,1277 0.825,1278 1.528,1279 4.595,1281 5.927,1282 2.398,1283 7.453,1284 4.844,1285 9.063,1286 6.986,1287 10.717,1289 2.15,1295 10.5,1296 5.869,1297 11.363,1299 0.583,1300 9.201,1305 50.239,1306 128.324,1307 282.663,1308 372.035,1309 419.055,1310 432.564,1311 434.564,1312 64.351,1313 9.225,1314 111.22,1315 111.22,1316 41,1317 13.059,1318 4.322,1319 3.459,1320 58.568,1321 264,1322 305,1323 0.105,1324 300.243,1325 524.61,1326 724.352,1327 171443,1329 29.175,1330 0.678,1331 0.572,1332 29.175,1333 24.614,1334 21.086,1335 0.43,1336 0.311,1337 14.969,1338 20.034,1339 14.717,1340 12.032,1341 21.086,1342 15.258,1343 19.149,1344 0.278,1345 0.169,1346 19.149,1347 11.682,1348 16.472,1349 0.177,1350 0.094,1351 16.472,1352 8.772,1353 14.211,1354 0.114,1355 0.05,1356 14.211,1357 6.275,1358 11.905,1359 0.073,1360 0.027,1361 11.905,1362 4.367,1363 0.171,1364 133.479,1365 0.171,1366 38.804,1367 0.27,1368 236,1369 647.388,1370 264.453,1371 613.788,1372 854.17,1373 582,1374 280,1375 637.782,1376 309.9,1377 639.955,1378 948.04,1379 603,1380 7.678}
{0 CHEMBL1255814,1 1.589,2 17.571,3 3.641,4 13.258,5 159.512,6 7.184,7 0.383,8 4.493,9 4.621,10 4.038,11 3.936,12 5.516,13 3.937,14 5.084,15 5.275,16 4.396,17 4.339,18 6.089,19 4.317,20 5.323,21 5.542,22 4.425,23 4.503,24 6.25,25 4.437,26 5.371,27 5.633,28 4.363,29 4.451,30 6.299,31 4.367,32 5.268,33 5.517,34 4.378,35 4.38,36 6.304,37 4.335,38 5.138,39 5.335,40 4.403,41 4.423,42 6.136,43 4.384,44 5.257,45 5.458,46 4.422,47 4.567,48 6.227,49 4.488,50 5.445,51 5.677,52 4.343,53 4.661,54 6.301,55 4.511,56 0.055,57 1.237,58 17.814,59 6.657,60 9.99,61 9.498,62 0.731,63 1.954,64 36.109,65 11.176,66 50.405,67 16.004,68 0.75,69 2.327,70 46.792,71 14.029,72 54.859,73 21.236,74 0.662,75 2.324,76 50.628,77 14.42,78 67.142,79 22.863,80 0.975,81 2.135,82 46.123,83 11.563,84 91.21,85 18.684,86 0.477,87 2.133,88 37.295,89 11.466,90 43.767,91 17.325,92 0.774,93 2.355,94 41.918,95 14.252,96 57.259,97 21.081,98 0.493,99 2.54,100 51.595,101 21.108,102 63.112,103 29.757,104 14,105 65,106 0.242,107 0.54,108 0.707,109 0.784,110 0.8,111 0.803,112 3.765,113 0.927,114 -4.07,115 -4.02,116 -3.8,119 37.5,121 2,124 2,125 8,127 2,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 6,178 2,179 1,180 4,183 6,186 3,187 8,192 4,195 4,198 3,199 15,204 5,211 4,212 12,215 1,217 4,224 13,227 2,229 1,232 6,236 5,237 2,240 1,245 12,249 2,250 4,253 6,258 10,263 8,271 2,275 4114,276 28.825,277 28.825,278 28.825,279 28.825,280 28.825,281 26.639,282 44.353,283 17.227,284 29.832,285 23.29,286 23.29,287 23.29,288 23.29,289 23.29,290 19.874,291 67.264,292 8.29,293 24.916,294 4.733,295 2.772,296 1.678,297 1.169,298 1.069,299 1.044,300 4.481,306 1640,307 4.062,310 109.798,311 751.813,312 149.727,318 2.898,319 38.389,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 92,331 738,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.156,342 3.461,343 6.278,344 3.887,345 2.942,346 3.656,347 0.86,348 9.552,349 2.8,350 4.069,351 3.136,352 6.022,353 3.706,354 2.755,355 3.605,356 0.86,357 8.657,358 2.617,359 3.976,360 2.912,361 5.6,362 3.64,363 2.687,364 3.19,365 0.86,366 7.722,367 2.538,368 3.783,369 2.831,370 5.422,371 3.457,372 2.506,373 3.063,374 0.8,375 7.197,376 2.376,377 3.572,378 2.579,379 5.261,380 3.227,381 2.293,382 2.855,383 0.8,384 6.567,385 2.138,386 3.38,387 2.508,388 5.174,389 3.113,390 2.19,391 2.555,392 0.8,393 6.383,394 2.015,395 3.26,396 2.392,397 5.086,398 3.047,399 2.116,400 2.431,401 0.247,402 5.839,403 1.964,404 3.191,405 2.312,406 4.659,407 2.851,408 1.879,409 2.21,411 5.163,412 1.822,413 2.926,414 2.258,415 4.627,416 2.809,417 1.828,418 2.003,420 4.964,421 1.778,422 2.879,423 2.016,424 4.487,425 2.646,426 1.749,427 1.879,428 4.493,429 1.562,430 2.743,431 1.883,432 4.202,433 2.288,434 1.371,435 1.821,436 3.721,437 1.255,438 2.5,439 1.513,440 3.853,441 2.166,442 1.281,443 1.5,445 2.871,446 1.12,447 2.5,448 1.508,449 3.532,450 2,451 1.087,452 1.5,454 2.608,455 1,456 2.323,457 1.277,458 3.488,459 2,460 1.052,461 1.32,463 2.303,464 1,465 19.533,466 0.465,467 0.917,468 0.022,469 52,470 1.238,471 22,472 0.524,473 30,474 0.714,475 40.392,476 0.962,477 47.067,478 0.588,479 44.177,480 1.052,481 10.174,482 0.242,483 10.339,484 0.246,485 0.068,487 0.317,493 0.888,494 1.679,495 0.801,496 1.319,497 0.672,498 1.079,499 1.173,500 0.962,501 0.966,502 0.913,503 0.709,504 0.907,505 1.137,506 1.18,507 1.068,508 1.056,509 0.969,510 1.05,511 0.907,512 1.124,513 0.897,514 0.991,515 0.881,516 0.941,517 1.194,518 0.88,519 0.927,520 0.677,521 1.491,522 0.727,523 1.083,524 1.22,525 1.045,526 1.048,527 1.251,528 1.024,529 0.748,530 1.005,531 1.157,532 1.095,533 0.675,534 1.162,535 0.41,536 1.13,537 1.031,538 1.43,539 0.511,540 1.369,541 8,542 0.185,543 3.778,544 2.063,545 1.37,546 1.583,547 1.11,548 0.457,549 0.394,550 0.367,551 35168,552 83816,553 2.158,554 47.5,556 32,559 2,561 4,564 1.808,565 2.066,566 3.969,567 0.173,573 127.126,574 1.589,575 3.55,576 4.644,577 5.153,578 5.253,579 5.278,580 3.463,581 4.726,582 5.356,583 4.267,584 3674.22,585 9.454,586 69877.6,591 505.754,592 1.224,593 5.344,594 0.17,595 0.005,596 0.058,597 0.032,598 0.023,599 0.025,600 0.017,601 0.007,602 0.007,603 0.009,604 0.352,605 0.33,606 0.63,607 0.914,608 245.255,609 -0.041,610 -0.384,611 0.085,612 -0.176,613 -0.017,614 -0.045,615 0.008,616 0.189,617 0.015,618 0.089,619 0.104,620 0.049,621 -0.097,622 -0.111,623 -0.093,624 -0.055,625 -0.066,626 -0.072,627 -0.019,628 -0.129,629 0.089,630 -0.031,631 0.047,632 0.037,633 -0.057,634 0.159,635 0.091,636 0.238,637 -0.059,638 0.203,639 -0.16,640 -0.035,641 -0.101,642 -0.029,643 -0.143,644 -0.047,645 0.026,646 0.177,647 -0.238,648 -0.043,649 -0.011,650 -0.156,651 0.17,652 -0.122,653 -0.127,654 -0.311,655 0.11,656 -0.285,657 1.996,658 5.652,659 0.762,660 62.805,661 1.005,662 1.138,663 2.839,664 8.061,665 0.641,666 3.871,667 4.19,668 4.454,669 4.745,670 4.997,671 5.118,672 5.303,673 5.468,674 5.631,675 5.778,676 10.153,677 0.612,678 574.76,679 3.871,680 5.416,681 6.263,682 7.14,683 8.005,684 8.889,685 9.765,686 10.654,687 11.537,688 12.432,689 10,692 1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,729 1,731 80,733 19,734 2,735 47,737 85,738 30,739 15,740 4,741 8,746 6,747 7,751 1,755 4,758 4,761 16,762 14,766 1,771 1,775 1,781 38,782 12,783 2,784 12,790 8,794 0.833,795 4,808 1,811 1,812 5,813 1,836 1,839 2,840 5,844 2,848 42,854 10,855 2,856 3,858 2,859 3,870 5,873 1,874 2,875 1,877 20.333,878 14.7,879 9.139,880 4.824,881 3.328,882 1.374,883 0.977,884 9.246,885 12.237,886 4.06,887 4.58,888 5.077,889 5.63,890 6.174,891 6.431,892 6.866,893 7.246,894 7.569,895 7.933,896 1,897 65,898 15.589,900 6.622,901 7.607,902 30.265,904 25.061,905 2.107,906 88.5,910 423.76,911 151.295,912 95.751,914 58.145,917 151.295,918 481.904,919 95.751,920 16.793,921 70.37,922 75.81,923 97.501,924 36.643,925 8.074,926 423.76,928 423.76,929 247.046,930 58.145,933 379.003,934 83.229,935 22,937 77.292,938 117.07,939 50.357,941 423.76,942 153.896,943 151.295,946 423.76,947 58.693,948 101.976,949 36.022,950 108.501,951 423.76,952 153.896,953 151.295,955 0.577,956 0.325,957 0.178,958 0.098,959 31,960 13,961 0.106,962 9,963 2,964 1.094,965 5.306,966 424.807,967 0.125,968 31,969 206.477,974 28.928,975 13.424,976 7.259,978 153.896,979 14.877,980 14.687,984 4.926,986 36.022,987 728.951,988 57,993 12.652,997 -0.33,999 80.378,1000 91.052,1001 0.251,1002 0.562,1003 0.735,1004 0.815,1005 0.831,1006 0.835,1007 5.316,1008 2.116,1009 6.232,1010 6.383,1011 4.875,1012 5.268,1013 2.574,1014 7.018,1015 4.748,1016 6.472,1017 1.879,1018 7.768,1019 5.839,1020 4.369,1021 4.924,1022 1.494,1023 7.849,1024 4.189,1025 7.749,1026 1.828,1027 9.4,1028 5.163,1029 6.441,1030 7.306,1031 2.763,1032 10.955,1033 6.193,1034 9.054,1035 1.749,1036 11.093,1037 4.964,1038 6.758,1039 7.758,1040 2.41,1041 12.665,1042 6.45,1043 10.392,1044 1.371,1045 12.826,1046 4.493,1047 8.278,1048 9.639,1049 3.363,1050 15.282,1051 7.907,1052 11.751,1053 1.281,1054 14.589,1055 3.721,1056 8.999,1057 10.476,1058 3.427,1059 17.382,1060 8.56,1061 13.128,1062 1.087,1063 16.375,1064 2.871,1065 10.283,1066 12.128,1067 4.191,1068 19.84,1069 9.783,1070 3.22,1071 1.052,1072 18.18,1073 2.608,1074 11.21,1075 13.179,1076 4.469,1077 22.112,1078 10.637,1079 2.942,1080 11.296,1081 19.999,1082 2.303,1083 12.395,1084 14.71,1085 5.121,1086 24.524,1087 11.758,1088 2.755,1089 9.552,1090 21.831,1091 4.057,1092 13.427,1093 15.889,1094 5.505,1095 26.873,1096 12.714,1097 2.687,1098 8.657,1099 23.674,1100 3.656,1101 14.575,1102 17.352,1103 6.094,1104 29.276,1105 13.795,1106 2.506,1107 7.722,1108 25.526,1109 3.605,1110 15.661,1111 18.609,1112 6.531,1113 31.659,1114 14.803,1115 2.293,1116 7.197,1117 27.387,1118 3.19,1119 16.798,1120 20.035,1121 7.084,1122 34.064,1123 15.87,1124 2.19,1125 6.567,1126 29.254,1127 3.063,1128 17.912,1129 21.34,1130 7.551,1131 36.464,1132 16.906,1133 32558,1134 50466,1135 32.304,1136 51.285,1137 70.456,1138 71.553,1139 71.048,1140 69.967,1141 69.951,1142 84.183,1143 13.766,1144 197.513,1145 65.527,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 16.684,1156 1.499,1157 1.522,1158 1.512,1159 1.489,1160 1.488,1161 1.791,1162 0.293,1163 4.202,1164 1.394,1165 4.043,1166 4.092,1167 3.995,1168 3.908,1169 7.431,1170 3.919,1171 3.925,1172 3.962,1173 3.865,1174 3.819,1175 5.079,1176 3.823,1177 3.892,1178 3.926,1179 3.819,1180 3.777,1181 4.857,1182 3.783,1183 3.793,1184 3.848,1185 3.704,1186 3.579,1187 4.703,1188 3.604,1189 3.661,1190 3.745,1191 3.522,1192 3.432,1193 4.631,1194 3.44,1195 3.579,1196 3.635,1197 3.503,1198 3.349,1199 4.597,1200 3.383,1201 3.401,1202 3.445,1203 3.343,1204 3.116,1205 4.413,1206 3.17,1207 3.206,1208 3.281,1209 3.033,1210 2.96,1211 4.222,1212 2.961,1213 0.094,1214 0.076,1215 0.145,1216 0.088,1217 0.069,1218 4.431,1219 0.086,1220 3.562,1221 0.035,1222 6.817,1223 0.24,1224 4.146,1225 0.064,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.932,1232 1.901,1233 2.021,1234 2.075,1235 1.255,1236 2.053,1237 1.88,1238 1.855,1239 1.988,1240 2.01,1241 1.208,1242 2.001,1243 1.748,1244 1.692,1245 1.92,1246 1.951,1247 1.187,1248 1.948,1249 1.662,1250 1.608,1251 1.873,1252 1.904,1253 1.115,1254 1.891,1255 1.613,1256 1.543,1257 1.86,1258 1.867,1259 1.099,1260 1.875,1261 1.604,1262 1.531,1263 1.853,1264 1.76,1265 1.04,1266 1.798,1267 1.441,1268 1.389,1269 1.562,1270 1.702,1271 0.825,1272 1.663,1273 1.259,1274 1.208,1275 1.531,1276 1.565,1277 0.696,1278 1.537,1279 4.554,1281 5.872,1282 2.398,1283 7.378,1284 4.844,1285 8.971,1286 6.986,1287 10.613,1289 4.006,1295 7.761,1296 5.754,1297 17.057,1299 0.571,1300 6.538,1305 48.932,1306 127.126,1307 284.029,1308 371.515,1309 412.244,1310 420.244,1311 422.244,1312 68.359,1313 8.909,1314 117.21,1315 117.21,1316 35,1317 12.96,1318 4.322,1319 3.459,1320 62.006,1321 254,1322 312,1323 0.115,1324 295.246,1325 517.46,1326 712.159,1327 113295,1329 28.89,1330 0.688,1331 0.575,1332 28.89,1333 24.161,1334 20.513,1335 0.436,1336 0.309,1337 14.227,1338 19.419,1339 13.936,1340 11.462,1341 20.513,1342 14.526,1343 18.56,1344 0.286,1345 0.17,1346 18.56,1347 11.021,1348 15.214,1349 0.179,1350 0.091,1351 15.214,1352 7.697,1353 13.129,1354 0.115,1355 0.048,1356 13.129,1357 5.435,1358 10.797,1359 0.073,1360 0.025,1361 10.797,1362 3.638,1363 0.188,1364 130.462,1365 0.176,1366 38.142,1367 0.297,1368 224,1369 659.479,1370 253.248,1371 619.162,1372 852.25,1373 586,1374 262,1375 627.068,1376 292.058,1377 628.811,1378 926.49,1379 590,1380 7.854}
{0 CHEMBL1255815,1 1.551,2 18.341,3 3.55,4 12.6,5 169.623,6 7.057,7 0.36,8 4.555,9 4.688,10 4.091,11 4.014,12 5.534,13 4.006,14 5.163,15 5.362,16 4.461,17 4.442,18 6.121,19 4.407,20 5.428,21 5.658,22 4.493,23 4.629,24 6.296,25 4.544,26 5.497,27 5.771,28 4.413,29 4.583,30 6.361,31 4.471,32 5.383,33 5.654,34 4.43,35 4.493,36 6.348,37 4.425,38 5.226,39 5.427,40 4.44,41 4.517,42 6.193,43 4.458,44 5.357,45 5.587,46 4.444,47 4.617,48 6.236,49 4.526,50 5.454,51 5.681,52 4.388,53 4.678,54 6.337,55 4.539,56 0.022,57 1.348,58 19.382,59 7.073,60 9.184,61 10.378,62 0.697,63 2.186,64 39.271,65 12,66 47.742,67 17.806,68 0.641,69 2.653,70 51.958,71 15.984,72 49.478,73 24.64,74 0.591,75 2.65,76 57.355,77 17.017,78 65.463,79 27.15,80 0.86,81 2.399,82 51.849,83 13.505,84 87.743,85 22.244,86 0.423,87 2.33,88 41.09,89 13.232,90 46.301,91 19.933,92 0.636,93 2.519,94 47.823,95 15.721,96 49.246,97 23.898,98 0.537,99 2.611,100 52.299,101 20.549,102 67.09,103 29.216,104 5,105 70,106 0.233,107 0.525,108 0.698,109 0.774,110 0.802,111 0.806,112 3.81,113 0.942,114 -4.45,115 -4.38,116 -4.12,119 37.6,121 2,124 1,125 11,127 2,142 8,143 2,144 2,149 1,150 2,159 1,172 9,174 7,175 5,178 2,179 1,180 4,183 8,186 3,187 8,192 4,195 4,198 3,199 17,204 6,211 4,212 11,217 4,224 14,227 3,229 2,232 6,236 4,237 4,245 12,249 3,250 4,253 6,258 12,263 6,266 1,271 4,275 4506,276 30.427,277 30.427,278 30.427,279 30.427,280 30.427,281 28.241,282 48.449,283 18.031,284 31.404,285 24.773,286 24.773,287 24.773,288 24.773,289 24.773,290 21.367,291 75.349,292 8.69,293 26.357,294 4.858,295 2.916,296 1.762,297 1.256,298 1.068,299 1.044,300 4.535,306 1828,307 3.536,310 115.872,311 966.483,312 158.121,318 2.992,319 36.84,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 95.5,331 807,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.156,342 3.461,343 6.278,344 3.887,345 2.942,346 3.66,347 0.916,348 9.552,349 2.8,350 4.08,351 3.136,352 6.022,353 3.735,354 2.772,355 3.606,356 0.86,357 8.657,358 2.677,359 3.978,360 3.05,361 5.652,362 3.671,363 2.725,364 3.19,365 0.86,366 7.883,367 2.558,368 3.798,369 2.833,370 5.535,371 3.553,372 2.611,373 3.066,374 0.8,375 7.547,376 2.453,377 3.653,378 2.723,379 5.347,380 3.416,381 2.461,382 2.885,383 0.8,384 6.978,385 2.335,386 3.498,387 2.519,388 5.251,389 3.219,390 2.266,391 2.601,392 0.8,393 6.437,394 2.157,395 3.37,396 2.461,397 5.107,398 3.07,399 2.137,400 2.52,401 0.247,402 6.285,403 1.989,404 3.246,405 2.318,406 5.086,407 2.908,408 1.963,409 2.41,410 0.172,411 5.839,412 1.852,413 2.979,414 2.258,415 4.808,416 2.851,417 1.879,418 2.01,420 5.458,421 1.822,422 2.926,423 2.146,424 4.621,425 2.741,426 1.776,427 1.992,428 4.917,429 1.7,430 2.879,431 2.016,432 4.486,433 2.645,434 1.74,435 1.879,436 4.49,437 1.562,438 2.743,439 1.883,440 4.202,441 2.287,442 1.369,443 1.82,445 3.719,446 1.254,447 2.5,448 1.513,449 3.853,450 2.166,451 1.281,452 1.5,454 2.871,455 1.12,456 2.5,457 1.277,458 3.532,459 2,460 1.053,461 1.5,463 2.608,464 1,465 20.6,466 0.468,467 0.947,468 0.022,469 53.25,470 1.21,471 21.5,472 0.489,473 31.75,474 0.722,475 44.346,476 1.008,477 49,478 0.576,479 44.935,480 1.021,481 10.265,482 0.233,483 11.303,484 0.257,485 0.04,487 0.32,493 0.886,494 1.685,495 0.815,496 1.295,497 0.639,498 1.075,499 1.164,500 0.994,501 0.993,502 0.916,503 0.67,504 0.926,505 1.059,506 1.169,507 1.078,508 1.081,509 0.884,510 1.078,511 0.827,512 1.119,513 0.911,514 1.02,515 0.815,516 0.979,517 1.067,518 0.835,519 0.861,520 0.669,521 1.365,522 0.704,523 1.072,524 1.22,525 1.096,526 1.137,527 1.285,528 1.113,529 0.82,530 0.974,531 1.055,532 1.018,533 0.707,534 1.049,535 0.554,536 1.112,537 1.093,538 1.391,539 0.752,540 1.348,541 8.5,542 0.181,543 4,544 2.188,545 1.712,546 1.451,547 1.169,548 0.509,549 0.378,550 0.409,551 42415,552 92469,553 2.205,554 48.2,556 35,559 2,561 4,564 1.818,565 2.129,566 4.036,567 0.149,573 131.854,574 1.551,575 3.494,576 4.647,577 5.153,578 5.342,579 5.365,580 3.475,581 4.743,582 5.428,583 4.323,584 4089.54,585 9.586,586 81069.7,591 544.798,592 1.143,593 5.418,594 0.17,595 0.005,596 0.057,597 0.031,598 0.027,599 0.022,600 0.017,601 0.007,602 0.006,603 0.009,604 0.352,605 0.17,606 0.63,607 0.327,608 260.921,609 -0.027,610 -0.385,611 0.092,612 -0.156,613 0.007,614 -0.034,615 0.023,616 0.175,617 -0.006,618 0.083,619 0.11,620 0.034,621 -0.086,622 -0.092,623 -0.106,624 -0.073,625 -0.04,626 -0.091,627 0.01,628 -0.14,629 0.07,630 -0.049,631 0.068,632 0.009,633 -0.016,634 0.179,635 0.152,636 0.251,637 0.003,638 0.24,639 -0.125,640 -0.052,641 -0.142,642 -0.101,643 -0.148,644 -0.12,645 -0.013,646 0.132,647 -0.106,648 0.013,649 -0.033,650 -0.043,651 0.161,652 -0.084,653 -0.167,654 -0.29,655 0.088,656 -0.286,657 1.954,658 5.777,659 0.864,660 66.647,661 1,662 1.138,663 3.217,664 10.351,665 0.642,666 3.932,667 4.263,668 4.543,669 4.836,670 5.1,671 5.187,672 5.38,673 5.549,674 5.7,675 5.855,676 10.583,677 0.609,678 599.82,679 3.932,680 5.485,681 6.34,682 7.22,683 8.09,684 8.975,685 9.852,686 10.741,687 11.624,688 12.516,689 10.6,692 2,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 85,733 19,734 2,735 50,737 91,738 32,739 15,740 4,741 8,746 7,747 8,751 1,755 4,758 4,761 16,762 16,766 1,771 1,775 1,781 41,782 12,783 2,784 12,790 9,794 0.857,795 3,808 1,811 1,812 6,813 1,836 2,839 2,840 6,844 1,848 44,854 13,855 2,856 2,858 2,859 4,870 3.5,873 1,874 2,877 20.667,878 15.233,879 9.472,880 5.274,881 3.428,882 1.37,883 0.997,884 9.027,885 12.692,886 4.111,887 4.63,888 5.125,889 5.672,890 6.214,891 6.462,892 6.905,893 7.289,894 7.608,895 7.971,896 0.917,897 70,898 16.37,900 7.049,901 7.534,902 32.18,904 27.319,905 2.034,906 89.5,910 459.073,911 144.671,912 98.875,914 47.145,917 144.671,918 506.218,919 98.875,920 8.396,921 74.2,922 75.81,923 97.501,924 26.71,925 8.074,926 459.073,928 459.073,929 243.547,930 47.145,933 414.316,934 72.229,935 22,937 84.247,938 106.615,939 50.357,941 459.073,942 146.02,943 144.671,946 459.073,947 60.465,948 96.704,949 36.022,950 97.501,951 459.073,952 146.02,953 144.671,955 0.582,956 0.335,957 0.185,958 0.104,959 35,960 14,961 0.077,962 7,963 2,964 1.079,965 5.524,966 459.94,967 0.105,968 37,969 216.215,974 29.537,975 13.447,976 7.069,978 146.02,979 15.725,980 14.744,984 5.564,986 36.022,987 749.764,988 60,993 12.777,997 -0.288,999 85.036,1000 96.756,1001 0.242,1002 0.545,1003 0.725,1004 0.804,1005 0.833,1006 0.837,1007 5.378,1008 2.137,1009 6.312,1010 6.437,1011 4.949,1012 5.318,1013 2.576,1014 7.102,1015 4.831,1016 6.531,1017 1.963,1018 7.85,1019 6.285,1020 4.443,1021 4.966,1022 1.577,1023 7.923,1024 4.27,1025 7.808,1026 1.879,1027 9.483,1028 5.839,1029 6.524,1030 7.342,1031 2.755,1032 11.029,1033 6.291,1034 9.111,1035 1.776,1036 11.174,1037 5.458,1038 6.836,1039 7.787,1040 2.453,1041 12.717,1042 6.542,1043 10.447,1044 1.74,1045 12.903,1046 4.917,1047 8.361,1048 9.661,1049 3.359,1050 15.331,1051 8.008,1052 11.803,1053 1.369,1054 14.661,1055 4.49,1056 9.074,1057 10.494,1058 3.442,1059 17.414,1060 8.653,1061 13.177,1062 1.281,1063 16.442,1064 3.719,1065 10.359,1066 12.142,1067 4.19,1068 19.868,1069 9.88,1070 3.22,1071 1.053,1072 18.24,1073 2.871,1074 11.278,1075 13.191,1076 4.474,1077 22.131,1078 10.726,1079 2.942,1080 11.296,1081 20.053,1082 2.608,1083 12.462,1084 14.719,1085 5.121,1086 24.539,1087 11.848,1088 2.772,1089 9.552,1090 21.879,1091 4.057,1092 13.486,1093 15.897,1094 5.506,1095 26.883,1096 12.796,1097 2.725,1098 8.657,1099 23.716,1100 3.66,1101 14.631,1102 17.358,1103 6.094,1104 29.283,1105 13.875,1106 2.611,1107 7.883,1108 25.563,1109 3.606,1110 15.71,1111 18.615,1112 6.532,1113 31.664,1114 14.877,1115 2.461,1116 7.547,1117 27.418,1118 3.19,1119 16.843,1120 20.039,1121 7.084,1122 34.068,1123 15.94,1124 2.266,1125 6.978,1126 29.281,1127 3.066,1128 17.951,1129 21.345,1130 7.551,1131 36.467,1132 16.97,1133 38183,1134 56673,1135 34.789,1136 54.597,1137 75.272,1138 76.192,1139 75.796,1140 74.89,1141 74.843,1142 89.081,1143 14.224,1144 213.488,1145 70.491,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 13.744,1156 1.505,1157 1.524,1158 1.516,1159 1.498,1160 1.497,1161 1.782,1162 0.284,1163 4.27,1164 1.41,1165 4.049,1166 4.099,1167 3.998,1168 3.918,1169 7.431,1170 3.927,1171 3.95,1172 3.997,1173 3.884,1174 3.852,1175 5.078,1176 3.853,1177 3.901,1178 3.942,1179 3.823,1180 3.777,1181 4.757,1182 3.783,1183 3.802,1184 3.866,1185 3.708,1186 3.602,1187 4.698,1188 3.614,1189 3.782,1190 3.841,1191 3.675,1192 3.576,1193 4.631,1194 3.598,1195 3.581,1196 3.637,1197 3.508,1198 3.35,1199 4.596,1200 3.385,1201 3.421,1202 3.477,1203 3.356,1204 3.167,1205 4.384,1206 3.205,1207 3.253,1208 3.34,1209 3.109,1210 2.996,1211 4.077,1212 3.017,1213 0.089,1214 0.071,1215 0.136,1216 0.083,1217 0.064,1218 4.431,1219 0.081,1220 3.562,1221 0.033,1222 6.817,1223 0.226,1224 4.146,1225 0.06,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.938,1232 1.907,1233 2.057,1234 2.077,1235 1.322,1236 2.066,1237 1.918,1238 1.886,1239 2.016,1240 2.057,1241 1.255,1242 2.047,1243 1.754,1244 1.693,1245 1.951,1246 1.973,1247 1.208,1248 1.965,1249 1.745,1250 1.677,1251 1.92,1252 1.935,1253 1.187,1254 1.941,1255 1.662,1256 1.608,1257 1.86,1258 1.903,1259 1.127,1260 1.891,1261 1.604,1262 1.543,1263 1.853,1264 1.76,1265 1.097,1266 1.798,1267 1.442,1268 1.39,1269 1.584,1270 1.704,1271 0.825,1272 1.666,1273 1.314,1274 1.25,1275 1.533,1276 1.591,1277 0.825,1278 1.578,1279 4.615,1281 5.943,1282 2.398,1283 7.461,1284 4.844,1285 9.063,1286 6.986,1287 10.709,1289 2.166,1295 11.661,1296 5.88,1297 11.368,1299 0.583,1300 9.32,1305 51.766,1306 131.854,1307 296.953,1308 395.024,1309 438.043,1310 454.043,1311 456.043,1312 67.059,1313 9.264,1314 111.22,1315 111.22,1316 41,1317 13.045,1318 4.322,1319 3.459,1320 60.643,1321 282,1322 328,1323 0.101,1324 309.835,1325 541.91,1326 747.757,1327 183510,1329 29.882,1330 0.679,1331 0.575,1332 29.882,1333 25.321,1334 21.569,1335 0.431,1336 0.314,1337 15.412,1338 20.515,1339 15.135,1340 12.388,1341 21.569,1342 15.704,1343 19.597,1344 0.28,1345 0.173,1346 19.597,1347 12.121,1348 16.622,1349 0.179,1350 0.097,1351 16.622,1352 8.992,1353 14.297,1354 0.114,1355 0.051,1356 14.297,1357 6.412,1358 12.101,1359 0.074,1360 0.028,1361 12.101,1362 4.57,1363 0.166,1364 136.416,1365 0.17,1366 39.67,1367 0.26,1368 240,1369 651.388,1370 268.12,1371 618.33,1372 857.33,1373 586,1374 283,1375 635.078,1376 312.733,1377 639.32,1378 945.32,1379 601,1380 7.678}
{0 CHEMBL1255816,1 1.614,2 16.833,3 3.165,4 10.014,5 155.48,6 7.749,7 0.5,8 4.423,9 4.543,10 4.036,11 3.918,12 5.503,13 3.927,14 4.991,15 5.161,16 4.406,17 4.327,18 6.062,19 4.313,20 5.246,21 5.461,22 4.442,23 4.473,24 6.217,25 4.423,26 5.255,27 5.499,28 4.373,29 4.402,30 6.264,31 4.343,32 5.163,33 5.397,34 4.384,35 4.342,36 6.279,37 4.313,38 5.066,39 5.261,40 4.368,41 4.366,42 6.086,43 4.334,44 5.156,45 5.353,46 4.378,47 4.479,48 6.129,49 4.416,50 5.339,51 5.558,52 4.343,53 4.58,54 6.265,55 4.454,56 0.077,57 1.187,58 14.17,59 5.963,60 9.645,61 7.821,62 0.639,63 1.92,64 29.131,65 10.271,66 45.18,67 13.545,68 0.689,69 2.311,70 40.7,71 13.061,72 51.315,73 18.556,74 0.668,75 2.287,76 42.788,77 12.819,78 64.083,79 18.985,80 0.883,81 2.112,82 38.918,83 10.52,84 87.972,85 15.653,86 0.48,87 2.048,88 31.927,89 10.4,90 38.964,91 14.522,92 0.652,93 2.195,94 34.885,95 12.251,96 42.07,97 17.025,98 0.481,99 2.391,100 43.901,101 18.488,102 63.37,103 25.474,104 2,105 67,106 0.247,107 0.568,108 0.738,109 0.82,110 0.84,111 0.84,112 3.765,113 0.887,114 -3.86,115 -3.81,116 -3.62,119 41.1,121 2,125 6,127 2,142 8,143 2,144 2,145 3,146 1,149 1,150 2,159 1,172 8,174 7,175 8,178 2,179 1,180 3,183 6,186 2,187 9,190 1,192 3,195 4,198 4,199 16,204 4,207 2,211 5,212 10,215 1,217 4,220 1,224 11,227 2,229 2,232 4,236 4,237 5,240 1,242 2,245 8,249 2,250 7,253 5,255 1,258 7,262 1,263 8,266 1,268 1,271 3,275 3954,276 29.325,277 29.325,278 29.325,279 29.325,280 29.325,281 26.451,282 35.795,283 17.486,284 30.196,285 23.795,286 23.795,287 23.795,288 23.795,289 23.795,290 19.439,291 56.906,292 8.395,293 25.217,294 4.576,295 2.486,296 1.373,297 0.843,298 0.712,299 0.712,300 4.493,306 1610,307 3.317,310 107.806,311 902.301,312 147.168,318 2.667,319 38.809,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 91.5,331 707,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.248,342 3.461,343 6.278,344 3.887,345 2.942,346 3.891,347 0.86,348 9.552,349 2.811,350 4.153,351 3.136,352 6.143,353 3.852,354 2.876,355 3.613,356 0.86,357 9.057,358 2.797,359 3.993,360 2.872,361 6.022,362 3.684,363 2.739,364 3.339,365 0.8,366 8.657,367 2.571,368 3.881,369 2.831,370 5.563,371 3.556,372 2.598,373 3.184,374 0.8,375 7.616,376 2.476,377 3.713,378 2.519,379 5.331,380 3.341,381 2.381,382 3.04,383 0.247,384 6.924,385 2.284,386 3.45,387 2.44,388 5.245,389 3.088,390 2.15,391 2.717,393 6.414,394 2.012,395 3.334,396 2.315,397 5.086,398 2.919,399 1.942,400 2.533,402 5.839,403 1.884,404 3.186,405 2.258,406 4.689,407 2.851,408 1.879,409 2.412,411 5.134,412 1.822,413 2.927,414 2.016,415 4.5,416 2.706,417 1.761,418 2.004,420 4.531,421 1.677,422 2.879,423 1.883,424 4.402,425 2.645,426 1.725,427 1.879,428 4.366,429 1.562,430 2.744,431 1.824,432 4.201,433 2.289,434 1.371,435 1.823,436 3.717,437 1.256,438 2.628,439 1.513,440 3.853,441 2.167,442 1.282,443 1.684,445 2.871,446 1.12,447 2.5,448 1.277,449 3.532,450 2.117,451 1.148,452 1.5,454 2.692,455 1.111,456 2.5,457 1.256,458 3.502,459 2,460 1.053,461 1.5,463 2.607,464 1,465 19.6,466 0.467,467 0.824,468 0.02,469 57.75,470 1.375,471 27.5,472 0.655,473 30.25,474 0.72,475 36.669,476 0.873,477 44.6,478 0.611,479 47.116,480 1.122,481 11.148,482 0.265,483 9.543,484 0.227,485 0.017,487 0.321,493 0.868,494 1.531,495 0.728,496 1.177,497 0.635,498 0.963,499 1.072,500 1.018,501 0.944,502 0.957,503 0.702,504 0.943,505 1.075,506 1.138,507 1.013,508 0.999,509 0.904,510 0.992,511 0.976,512 1.106,513 0.962,514 0.978,515 0.932,516 0.958,517 1.129,518 0.908,519 0.959,520 0.726,521 1.457,522 0.776,523 1.115,524 1.169,525 1.063,526 1.032,527 1.152,528 1.02,529 0.882,530 0.955,531 1.163,532 1.053,533 0.728,534 1.121,535 0.494,536 1.118,537 1.051,538 1.428,539 0.558,540 1.369,541 7,542 0.169,543 4,544 2.125,545 1.281,546 1.576,547 1.046,548 0.445,549 0.337,550 0.392,551 36673,552 92526,553 2.23,554 42.5,556 22,558 3,559 2,561 4,564 1.808,565 2.172,566 3.929,567 0.173,573 117.786,574 1.614,575 3.704,576 4.816,577 5.347,578 5.477,579 5.477,580 3.332,581 4.678,582 5.361,583 4.209,584 3624.12,585 9.46,586 68170.2,591 451.857,592 1.042,593 5.358,594 0.146,595 0.004,596 0.06,597 0.031,598 0.021,599 0.025,600 0.016,601 0.007,602 0.006,603 0.009,604 0.325,605 0.33,606 0.63,607 0.257,608 244.315,609 -0.059,610 -0.323,611 0.077,612 -0.131,613 -0.007,614 -0.023,615 0.041,616 0.106,617 -0.031,618 0.022,619 0.077,620 -0.024,621 -0.092,622 -0.101,623 -0.051,624 -0.024,625 -0.043,626 -0.031,627 -0.055,628 -0.092,629 0.031,630 -0.031,631 0.012,632 0.009,633 -0.034,634 0.152,635 0.04,636 0.184,637 -0.051,638 0.144,639 -0.182,640 -0.048,641 -0.147,642 -0.07,643 -0.159,644 -0.091,645 -0.058,646 0.155,647 -0.262,648 -0.063,649 -0.073,650 -0.167,651 0.177,652 -0.166,653 -0.124,654 -0.346,655 0.17,656 -0.304,657 2.029,658 5.674,659 0.905,660 58.633,661 1.008,662 1.133,663 2.626,664 6.894,665 0.668,666 3.892,667 4.22,668 4.522,669 4.82,670 5.075,671 5.176,672 5.371,673 5.533,674 5.68,675 5.832,676 9.857,677 0.646,678 565.7,679 3.892,680 5.442,681 6.304,682 7.186,683 8.061,684 8.949,685 9.831,686 10.723,687 11.61,688 12.505,689 12.3,695 2,696 2,699 5,702 1,704 11,705 5,709 8,711 24,726 2,731 73,733 25,734 1,735 48,737 79,738 30,739 19,740 2,741 4,746 7,747 8,751 1,755 4,758 4,761 20,762 10,766 1,771 1,775 1,781 31,782 12,783 2,784 12,790 9,794 0.857,795 3,805 2,808 1,811 1,812 6,813 1,839 2,840 6,848 42,854 8,855 2,856 2,858 2,859 2,870 4.1,873 1,874 2,877 19.333,878 12.983,879 9.083,880 4.456,881 4.343,882 1.475,883 1.014,884 7.73,885 13.487,886 4.127,887 4.682,888 5.231,889 5.806,890 6.363,891 6.612,892 7.076,893 7.461,894 7.778,895 8.133,896 0.909,897 68,898 15.554,900 6.745,901 7.635,902 30.026,904 25.286,905 2.135,906 89.667,910 341.362,911 155.646,912 126.198,914 47.145,917 155.646,918 388.507,919 126.198,921 63.672,922 75.81,923 166.386,924 50.36,925 8.074,926 306.049,928 341.362,929 281.843,930 47.145,933 296.605,934 72.229,935 22,937 97.369,938 98.219,939 83.928,941 341.362,942 173.342,943 155.646,946 341.362,947 52.693,948 109.201,949 36.022,950 131.072,951 341.362,952 173.342,953 155.646,955 0.579,956 0.339,957 0.191,958 0.105,959 34,960 13,961 0.076,962 6,963 2,964 1.079,965 5.35,966 437.871,967 0.105,968 37,969 212.477,974 26.871,975 12.082,976 5.993,978 173.342,979 20.048,980 23.224,984 5.721,986 36.022,987 670.35,988 61,993 12.674,997 -0.362,999 73.618,1000 82.68,1001 0.261,1002 0.598,1003 0.778,1004 0.864,1005 0.885,1006 0.885,1007 5.375,1008 1.942,1009 6.271,1010 6.414,1011 4.905,1012 5.371,1013 2.368,1014 7.072,1015 4.795,1016 6.544,1017 1.879,1018 7.814,1019 5.839,1020 4.369,1021 4.977,1022 1.404,1023 7.923,1024 4.222,1025 7.827,1026 1.761,1027 9.456,1028 5.134,1029 6.485,1030 7.455,1031 2.66,1032 11.044,1033 6.268,1034 9.141,1035 1.725,1036 11.16,1037 4.531,1038 6.804,1039 7.875,1040 2.382,1041 12.769,1042 6.541,1043 10.487,1044 1.371,1045 12.905,1046 4.366,1047 8.342,1048 9.818,1049 3.324,1050 15.385,1051 8.016,1052 11.856,1053 1.282,1054 14.678,1055 3.717,1056 9.072,1057 10.638,1058 3.421,1059 17.483,1060 8.689,1061 13.242,1062 1.148,1063 16.473,1064 2.871,1065 10.364,1066 12.328,1067 4.179,1068 19.933,1069 9.921,1070 3.22,1071 1.053,1072 18.284,1073 2.692,1074 11.298,1075 13.372,1076 4.467,1077 22.196,1078 10.79,1079 2.942,1080 11.296,1081 20.108,1082 2.607,1083 12.486,1084 14.925,1085 5.118,1086 24.597,1087 11.917,1088 2.876,1089 9.552,1090 21.943,1091 4.057,1092 13.52,1093 16.101,1094 5.504,1095 26.936,1096 12.882,1097 2.739,1098 9.057,1099 23.787,1100 3.891,1101 14.667,1102 17.578,1103 6.093,1104 29.329,1105 13.965,1106 2.598,1107 8.657,1108 25.639,1109 3.613,1110 15.751,1111 18.835,1112 6.531,1113 31.704,1114 14.978,1115 2.381,1116 7.616,1117 27.497,1118 3.339,1119 16.885,1120 20.269,1121 7.084,1122 34.102,1123 16.044,1124 2.15,1125 6.924,1126 29.361,1127 3.184,1128 17.996,1129 21.575,1130 7.551,1131 36.495,1132 17.081,1133 32799,1134 52310,1135 33.69,1136 48.79,1137 72.428,1138 73.491,1139 72.655,1140 71.976,1141 72.005,1142 90.414,1143 10.446,1144 205.289,1145 68.023,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 8.888,1156 1.509,1157 1.531,1158 1.514,1159 1.499,1160 1.5,1161 1.884,1162 0.218,1163 4.277,1164 1.417,1165 4.047,1166 4.096,1167 4,1168 3.916,1169 7.431,1170 3.927,1171 3.959,1172 4,1173 3.915,1174 3.855,1175 5.08,1176 3.863,1177 3.903,1178 3.942,1179 3.826,1180 3.776,1181 4.976,1182 3.783,1183 3.795,1184 3.851,1185 3.71,1186 3.604,1187 4.768,1188 3.616,1189 3.727,1190 3.774,1191 3.661,1192 3.578,1193 4.701,1194 3.598,1195 3.574,1196 3.631,1197 3.502,1198 3.347,1199 4.631,1200 3.381,1201 3.371,1202 3.416,1203 3.322,1204 3.095,1205 4.597,1206 3.148,1207 3.144,1208 3.206,1209 2.956,1210 2.951,1211 4.08,1212 2.926,1213 0.092,1214 0.074,1215 0.142,1216 0.086,1217 0.067,1218 4.431,1219 0.085,1220 3.562,1221 0.035,1222 6.817,1223 0.235,1224 4.146,1225 0.062,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.935,1232 1.903,1233 2.022,1234 2.076,1235 1.255,1236 2.055,1237 1.918,1238 1.886,1239 2.007,1240 2.042,1241 1.208,1242 2.032,1243 1.75,1244 1.694,1245 1.921,1246 1.959,1247 1.187,1248 1.952,1249 1.691,1250 1.649,1251 1.86,1252 1.905,1253 1.1,1254 1.891,1255 1.661,1256 1.608,1257 1.853,1258 1.845,1259 1.067,1260 1.838,1261 1.604,1262 1.543,1263 1.815,1264 1.76,1265 0.834,1266 1.798,1267 1.438,1268 1.387,1269 1.532,1270 1.695,1271 0.825,1272 1.658,1273 1.223,1274 1.178,1275 1.513,1276 1.524,1277 0.513,1278 1.477,1279 4.575,1281 5.9,1282 2.398,1283 7.424,1284 4.844,1285 9.033,1286 6.986,1287 10.687,1295 6.294,1296 5.701,1297 11.338,1299 0.562,1300 4.468,1305 47.132,1306 117.786,1307 270.38,1308 351.593,1309 390.347,1310 399.857,1311 399.857,1312 61.756,1313 9.144,1314 130.52,1315 130.52,1316 41,1317 13.032,1318 4.7,1319 3.807,1320 56.533,1321 249,1322 278,1323 0.107,1324 281.868,1325 488.49,1326 679.518,1327 154372,1329 28.305,1330 0.674,1331 0.548,1332 28.305,1333 23.018,1334 20.692,1335 0.431,1336 0.296,1337 13.935,1338 19.713,1339 13.752,1340 11.252,1341 20.692,1342 14.192,1343 18.527,1344 0.277,1345 0.157,1346 18.527,1347 10.518,1348 16.061,1349 0.176,1350 0.085,1351 16.061,1352 7.757,1353 14.059,1354 0.114,1355 0.046,1356 14.059,1357 5.607,1358 11.681,1359 0.073,1360 0.024,1361 11.681,1362 3.775,1363 0.174,1364 130.798,1365 0.172,1366 38.029,1367 0.277,1368 230,1369 673.388,1370 257.398,1371 642.448,1372 892.88,1373 608,1374 273,1375 666.782,1376 301.373,1377 670.03,1378 989.41,1379 632,1380 7.398}
{0 CHEMBL1256447,1 1.641,2 17.163,3 5.577,4 31.105,5 159.399,6 8.023,7 0.583,8 4.403,9 4.515,10 4.03,11 3.953,12 5.539,13 3.952,14 4.965,15 5.127,16 4.448,17 4.352,18 6.386,19 4.34,20 5.192,21 5.384,22 4.503,23 4.533,24 6.291,25 4.491,26 5.309,27 5.514,28 4.506,29 4.564,30 6.48,31 4.5,32 5.346,33 5.573,34 4.5,35 4.553,36 6.485,37 4.481,38 5.354,39 5.592,40 4.425,41 4.472,42 6.516,43 4.423,44 5.214,45 5.438,46 4.405,47 4.393,48 6.439,49 4.356,50 5.126,51 5.341,52 4.396,53 4.352,54 6.348,55 4.319,56 0.107,57 1.281,58 12.776,59 6.688,60 21.816,61 7.932,62 1.012,63 2.444,64 27.801,65 10.956,66 148.142,67 13.23,68 0.556,69 2.503,70 35.434,71 14.198,72 58.228,73 18.073,74 1.007,75 2.825,76 42.587,77 16.605,78 107.245,79 20.983,80 0.909,81 2.947,82 46.493,83 18.176,84 119.194,85 23.385,86 1.22,87 3.055,88 50.791,89 17.526,90 179.444,91 20.37,92 1.178,93 2.754,94 41.967,95 14.449,96 120.734,97 17.156,98 0.571,99 2.52,100 36.147,101 14.13,102 78.274,103 17.347,104 33,105 69,106 0.251,107 0.56,108 0.732,109 0.843,110 0.876,111 0.876,112 3.788,113 0.877,114 -4.63,115 -4.55,116 -4.28,119 45.2,121 1,124 1,125 5,132 1,142 12,143 5,144 3,145 2,146 2,158 1,172 13,174 1,175 11,180 4,183 16,186 1,187 8,192 3,195 15,198 2,199 4,202 1,204 2,207 14,211 1,212 6,215 1,217 2,220 15,224 5,229 1,232 14,236 2,237 8,240 1,242 1,245 17,250 4,253 1,255 1,258 11,262 1,263 8,268 2,271 6,275 4123,276 29.151,277 29.151,278 29.151,279 29.151,280 29.151,281 25.897,282 28.129,283 17.108,284 29.965,285 23.7,286 23.7,287 23.7,288 23.7,289 23.7,290 18.659,291 42.53,292 8.095,293 24.973,294 4.548,295 2.527,296 1.405,297 0.678,298 0.459,299 0.459,300 4.501,305 1,306 1628,307 4.359,311 775.838,315 412.029,318 2.654,319 59.111,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 95,331 738,332 4.596,333 4.472,334 7.289,335 4.301,336 3.411,337 4.495,338 3.825,339 12.462,340 3.095,341 4.551,342 3.72,343 6.558,344 4.098,345 3.114,346 4.334,347 1.94,348 10.421,349 3.058,350 4.409,351 3.167,352 6.261,353 3.919,354 2.937,355 4.093,356 0.86,357 9.473,358 2.883,359 3.972,360 3.115,361 6.171,362 3.783,363 2.85,364 3.492,365 0.8,366 9.012,367 2.678,368 3.967,369 2.953,370 5.994,371 3.585,372 2.647,373 3.127,374 0.555,375 8.458,376 2.554,377 3.836,378 2.665,379 5.963,380 3.54,381 2.58,382 3.112,383 0.4,384 8.437,385 2.33,386 3.682,387 2.517,388 5.464,389 3.352,390 2.391,391 2.901,393 7.256,394 2.289,395 3.391,396 2.318,397 5.075,398 2.946,399 1.979,400 2.739,402 5.913,403 1.909,404 3.118,405 2.148,406 4.741,407 2.715,408 1.756,409 2.427,411 4.864,412 1.671,413 3.118,414 2.03,415 4.504,416 2.601,417 1.618,418 2.427,420 4.546,421 1.59,422 2.951,423 1.735,424 4.342,425 2.583,426 1.618,427 2.12,428 4.172,429 1.559,430 2.915,431 1.618,432 4.236,433 2.408,434 1.478,435 1.989,436 3.83,437 1.398,438 2.761,439 1.618,440 4.07,441 2.379,442 1.421,443 1.89,445 3.402,446 1.323,447 2.6,448 1.423,449 3.935,450 2.253,451 1.262,452 1.627,454 2.982,455 1.249,456 2.537,457 1.265,458 3.609,459 2.116,460 1.164,461 1.542,463 2.938,464 1.091,465 20.024,466 0.466,467 1.134,468 0.026,469 57,470 1.326,471 28.5,472 0.663,473 28.5,474 0.663,475 39.472,476 0.918,477 45.976,478 0.63,479 52.77,480 1.227,481 11.538,482 0.268,483 9.258,484 0.215,485 0.084,486 0.025,487 0.315,490 3,493 0.614,494 1.087,495 0.678,496 1.064,497 0.555,498 0.93,499 0.677,500 0.82,501 0.814,502 0.857,503 0.417,504 0.863,505 0.725,506 0.897,507 0.902,508 0.971,509 0.59,510 0.973,511 0.798,512 0.915,513 1.013,514 1.046,515 0.942,516 1.084,517 0.772,518 0.982,519 0.883,520 1.046,521 0.908,522 1.018,523 1.528,524 1.149,525 1.158,526 0.888,527 1.571,528 0.909,529 1.303,530 1.002,531 1.105,532 0.853,533 1.331,534 0.901,535 0.997,536 1.218,537 0.86,538 1.061,539 1.044,540 0.955,541 9,542 0.371,543 5.556,544 2.75,545 2.836,546 1.806,547 0.993,548 0.964,549 0.752,550 0.454,551 34440,552 98720,553 2.12,554 41.1,556 25,558 2,559 1,560 2,564 1.817,565 1.992,566 4.002,567 -0.392,573 119.821,574 1.641,575 3.663,576 4.785,577 5.512,578 5.731,579 5.731,580 3.519,581 5.176,582 5.392,583 4.18,584 3774.71,585 9.543,586 69530.6,591 451.857,592 1.478,593 5.358,594 0.188,595 0.007,596 0.081,597 0.037,598 0.041,599 0.026,600 0.016,601 0.015,602 0.012,603 0.007,604 0.429,605 0.17,606 0.75,607 1.072,608 249.503,609 -0.028,610 -0.126,611 0.048,612 -0.056,613 -0.064,615 0.229,616 0.204,617 0.053,618 0.112,619 0.351,620 0.054,621 -0.067,622 -0.042,623 -0.036,624 -0.011,625 -0.006,626 -0.011,627 0.051,628 0.01,629 -0.081,630 -0.064,631 -0.038,632 -0.105,633 0.082,634 -0.048,635 0.09,636 -0.041,637 0.008,638 0.003,639 -0.225,640 0.022,641 -0.084,642 0.113,643 -0.214,644 0.073,645 -0.084,646 0.162,647 -0.078,648 0.122,649 -0.128,650 0.048,651 -0.034,652 -0.178,653 0.112,654 -0.063,655 -0.01,656 0.034,657 5.811,658 6.322,659 0.744,660 60.691,661 1.015,662 1.133,663 3.399,664 11.552,665 0.677,666 3.892,667 4.248,668 4.533,669 4.812,670 5.112,671 5.209,672 5.412,673 5.587,674 5.793,675 5.881,676 9.45,677 0.658,678 585.68,679 3.892,680 5.46,681 6.323,682 7.217,683 8.099,684 8.997,685 9.886,686 10.786,687 11.679,688 12.579,689 6.8,695 1,696 1,697 1,699 2,703 4,704 14,705 2,709 6,711 28,724 1,726 1,731 73,733 29,734 3,735 48,737 78,738 33,739 24,740 8,741 10,746 6,747 8,752 1,757 1,758 1,761 25,762 8,766 1,771 1,775 1,779 3,781 30,782 10,783 1,784 10,790 5,794 0.667,795 2,805 2,812 6,816 2,827 1,839 1,840 4,844 1,846 3,848 43,854 6,855 1,856 1,859 2,860 1,869 3,870 2.7,873 1,874 1,877 21.583,878 13.479,879 9.278,880 4.34,881 5.78,882 1.612,883 1.022,884 8.205,885 15.223,886 4.159,887 4.792,888 5.414,889 6.03,890 6.663,891 7.023,892 7.535,893 8.039,894 8.585,895 8.959,896 0.917,897 74,898 16.517,900 7.653,901 7.955,902 30.095,904 25.145,905 2.455,906 105.583,910 341.362,911 197.968,912 57.83,914 36.145,915 44.88,917 197.968,918 377.507,919 102.711,920 10.883,921 18.674,922 113.715,923 97.963,924 111.371,926 317.82,927 7.76,928 341.362,929 255.798,930 81.025,933 341.362,934 70.025,935 11,937 66.827,938 155.4,939 33.571,941 386.242,942 93.975,943 197.968,946 349.121,947 47.516,948 148.941,949 18.011,950 114.596,951 341.362,952 138.856,953 197.968,955 0.587,956 0.34,957 0.183,958 0.107,959 34,960 15,961 0.09,962 7,963 2,964 1.125,965 5.165,966 454.932,967 0.125,968 32,969 221.82,974 28.915,975 12.202,976 6.291,977 3.411,978 138.856,979 25.286,980 9.023,984 2.192,986 18.011,987 678.185,988 63,993 12.323,997 -0.054,999 74.072,1000 82.742,1001 0.265,1002 0.592,1003 0.773,1004 0.89,1005 0.926,1006 0.926,1007 5.416,1008 1.979,1009 6.333,1010 7.256,1011 4.934,1012 5.481,1013 3.411,1014 7.186,1015 4.842,1016 6.639,1017 1.756,1018 7.921,1019 5.913,1020 4.635,1021 5.352,1022 3.994,1023 8.28,1024 4.432,1025 7.965,1026 1.618,1027 9.617,1028 4.864,1029 6.6,1030 7.733,1031 5.505,1032 11.342,1033 6.41,1034 9.327,1035 1.618,1036 11.379,1037 4.546,1038 7.116,1039 8.424,1040 6.717,1041 13.253,1042 6.812,1043 10.721,1044 1.478,1045 13.183,1046 4.172,1047 8.575,1048 10.299,1049 8.077,1050 15.888,1051 8.267,1052 12.139,1053 1.421,1054 15.016,1055 3.83,1056 9.453,1057 11.384,1058 9.396,1059 18.128,1060 9.041,1061 13.574,1062 1.262,1063 16.872,1064 3.402,1065 10.723,1066 13.04,1067 10.739,1068 20.642,1069 10.283,1070 3.411,1071 1.164,1072 18.744,1073 2.982,1074 11.765,1075 14.323,1076 12.076,1077 23.025,1078 11.232,1079 3.114,1080 12.462,1081 20.631,1082 2.938,1083 12.969,1084 15.881,1085 13.418,1086 25.514,1087 12.386,1088 2.937,1089 10.421,1090 22.529,1091 4.495,1092 14.087,1093 17.263,1094 14.758,1095 27.963,1096 13.417,1097 2.85,1098 9.473,1099 24.437,1100 4.334,1101 15.272,1102 18.775,1103 16.1,1104 30.455,1105 14.538,1106 2.647,1107 9.012,1108 26.353,1109 4.093,1110 16.427,1111 20.207,1112 17.441,1113 32.935,1114 15.608,1115 2.58,1116 8.458,1117 28.278,1118 3.492,1119 17.612,1120 21.7,1121 18.783,1122 35.435,1123 16.718,1124 2.391,1125 8.437,1126 30.209,1127 3.127,1128 18.788,1129 23.157,1130 20.124,1131 37.933,1132 17.808,1133 32004,1134 54394,1135 32.304,1136 49.41,1137 72.929,1138 73.584,1139 74.014,1140 72.614,1141 72.392,1142 94.412,1143 16.762,1144 214.18,1145 68.927,1146 5.596,1147 6.472,1148 7.152,1149 5.369,1150 5.411,1151 7.495,1152 5.335,1153 20.192,1154 5.095,1155 20.735,1156 1.519,1157 1.533,1158 1.542,1159 1.513,1160 1.508,1161 1.967,1162 0.349,1163 4.462,1164 1.436,1165 4.142,1166 4.169,1167 4.106,1168 4.078,1169 8.513,1170 4.081,1171 4.011,1172 4.043,1173 3.972,1174 3.934,1175 7.999,1176 3.939,1177 3.961,1178 3.998,1179 3.92,1180 3.867,1181 7.999,1182 3.874,1183 3.792,1184 3.839,1185 3.711,1186 3.605,1187 7.427,1188 3.622,1189 3.573,1190 3.623,1191 3.488,1192 3.471,1193 5.047,1194 3.469,1195 3.54,1196 3.58,1197 3.426,1198 3.355,1199 4.942,1200 3.361,1201 3.35,1202 3.399,1203 3.346,1204 3.209,1205 4.703,1206 3.206,1207 3.284,1208 3.334,1209 3.201,1210 3.025,1211 4.623,1212 3.076,1213 0.096,1214 0.093,1215 0.152,1216 0.09,1217 0.071,1218 4.596,1219 0.094,1220 4.472,1221 0.08,1222 7.289,1223 0.26,1224 4.301,1225 0.064,1226 3.411,1227 4.495,1228 3.825,1229 12.462,1230 3.095,1231 2.091,1232 2.07,1233 2.157,1234 2.168,1235 1.311,1236 2.166,1237 1.988,1238 1.962,1239 2.067,1240 2.09,1241 1.285,1242 2.084,1243 1.917,1244 1.888,1245 2.022,1246 2.048,1247 1.168,1248 2.043,1249 1.731,1250 1.677,1251 1.9,1252 1.922,1253 1.087,1254 1.914,1255 1.547,1256 1.511,1257 1.779,1258 1.765,1259 1.021,1260 1.769,1261 1.514,1262 1.46,1263 1.672,1264 1.65,1265 0.825,1266 1.659,1267 1.308,1268 1.263,1269 1.534,1270 1.484,1271 0.756,1272 1.492,1273 1.164,1274 1.094,1275 1.513,1276 1.469,1277 0.568,1278 1.463,1279 4.575,1281 5.922,1283 7.469,1285 9.106,1287 10.791,1289 1.528,1291 42.967,1295 1.928,1296 3.201,1297 4.97,1300 3.369,1301 -4.561,1305 48.062,1306 119.821,1307 267.422,1308 349.328,1309 402.347,1310 418.347,1311 418.347,1312 94.612,1313 9.443,1314 70.59,1315 70.59,1316 36,1317 13.102,1318 4.907,1319 4,1320 63.969,1321 243,1322 300,1323 0.126,1324 287.532,1325 504.63,1326 693.339,1327 218438,1328 4.1,1329 29.976,1330 0.697,1331 0.548,1332 27.476,1333 23.565,1334 20.796,1335 0.433,1336 0.292,1337 13.795,1338 19.865,1339 13.546,1340 11.109,1341 19.585,1342 14.039,1343 19.411,1344 0.281,1345 0.152,1346 17.416,1347 10.472,1348 16.091,1349 0.175,1350 0.084,1351 15.311,1352 7.739,1353 13.54,1354 0.111,1355 0.045,1356 12.93,1357 5.48,1358 11.833,1359 0.072,1360 0.024,1361 10.926,1362 3.95,1363 0.202,1364 131.278,1365 0.176,1366 38.338,1367 0.334,1368 234,1369 832.718,1370 265.77,1371 725.279,1372 970.76,1373 678,1374 278,1375 693.181,1376 304.175,1377 687.206,1378 1027.36,1379 646,1380 6.523}
{0 CHEMBL1256448,1 1.595,2 17.295,3 5.847,4 34.185,5 166.375,6 7.776,7 0.571,8 4.446,9 4.569,10 4.049,11 3.993,12 5.557,13 3.983,14 5.013,15 5.194,16 4.472,17 4.398,18 6.397,19 4.377,20 5.251,21 5.449,22 4.522,23 4.591,24 6.324,25 4.534,26 5.397,27 5.625,28 4.518,29 4.617,30 6.5,31 4.537,32 5.393,33 5.628,34 4.527,35 4.589,36 6.522,37 4.512,38 5.392,39 5.634,40 4.452,41 4.515,42 6.549,43 4.462,44 5.27,45 5.499,46 4.436,47 4.467,48 6.462,49 4.415,50 5.244,51 5.479,52 4.42,53 4.43,54 6.4,55 4.375,56 0.071,57 1.369,58 14.352,59 6.953,60 20.226,61 8.698,62 0.953,63 2.577,64 30.506,65 11.204,66 143.14,67 14.528,68 0.451,69 2.658,70 38.586,71 15.229,72 53.548,73 20.092,74 0.917,75 2.984,76 49.282,77 18.41,78 105.478,79 24.27,80 0.836,81 3.054,82 49.907,83 18.896,84 117.028,85 24.824,86 1.123,87 3.167,88 52.922,89 17.541,90 173.993,91 20.927,92 1.024,93 2.909,94 44.392,95 15.358,96 113.097,97 18.967,98 0.531,99 2.713,100 42.756,101 16.033,102 83.741,103 20.614,104 44,105 71,106 0.242,107 0.543,108 0.708,109 0.827,110 0.858,111 0.858,112 3.81,113 0.891,114 -4.81,115 -4.72,116 -4.43,119 44.2,121 1,124 2,125 5,132 1,142 12,143 5,144 3,145 2,146 2,158 1,172 13,174 1,175 11,180 4,183 16,186 1,187 8,192 3,195 15,198 2,199 4,202 1,204 2,207 14,211 1,212 6,215 1,217 2,220 15,224 5,229 1,232 14,236 2,237 8,240 1,242 1,245 17,250 4,253 1,255 1,258 11,262 1,263 8,268 2,271 6,275 4442,276 29.435,277 29.435,278 29.435,279 29.435,280 29.435,281 26.181,282 29.482,283 17.088,284 30.17,285 24.218,286 24.218,287 24.218,288 24.218,289 24.218,290 19.176,291 45.418,292 8.147,293 25.452,294 4.671,295 2.682,296 1.591,297 0.809,298 0.601,299 0.601,300 4.521,305 1,306 1673,307 4.583,311 803.43,315 426.902,318 2.745,319 56.912,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 96.5,331 761,332 4.596,333 4.472,334 7.289,335 4.301,336 3.411,337 4.495,338 3.825,339 12.462,340 3.095,341 4.551,342 3.72,343 6.558,344 4.098,345 3.114,346 4.334,347 1.94,348 10.421,349 3.058,350 4.409,351 3.167,352 6.261,353 3.919,354 2.937,355 4.093,356 0.8,357 9.473,358 2.883,359 3.974,360 3.116,361 6.171,362 3.787,363 2.852,364 3.492,365 0.8,366 9.013,367 2.684,368 3.968,369 2.954,370 5.996,371 3.586,372 2.651,373 3.127,374 0.555,375 8.461,376 2.554,377 3.837,378 2.665,379 5.963,380 3.543,381 2.581,382 3.114,383 0.4,384 8.438,385 2.334,386 3.683,387 2.562,388 5.464,389 3.354,390 2.394,391 2.902,393 7.256,394 2.29,395 3.392,396 2.513,397 5.075,398 3.104,399 2.191,400 2.739,402 5.914,403 1.998,404 3.197,405 2.298,406 4.755,407 2.94,408 1.972,409 2.427,411 5.239,412 1.903,413 3.118,414 2.033,415 4.658,416 2.635,417 1.664,418 2.427,420 4.786,421 1.598,422 3.118,423 1.735,424 4.504,425 2.601,426 1.618,427 2.203,428 4.545,429 1.589,430 2.92,431 1.618,432 4.342,433 2.583,434 1.618,435 2.12,436 4.171,437 1.559,438 2.904,439 1.618,440 4.15,441 2.407,442 1.422,443 1.943,445 3.563,446 1.398,447 2.761,448 1.423,449 4.069,450 2.256,451 1.286,452 1.889,454 3.396,455 1.252,456 2.586,457 1.265,458 3.909,459 2.225,460 1.26,461 1.616,463 2.939,464 1.193,465 20.59,466 0.468,467 1.278,468 0.029,469 57.75,470 1.313,471 28.5,472 0.648,473 29.25,474 0.665,475 41.708,476 0.948,477 47.21,478 0.613,479 53.999,480 1.227,481 11.622,482 0.264,483 9.53,484 0.217,485 0.106,486 0.024,487 0.325,490 3,493 0.596,494 1.146,495 0.706,496 1.085,497 0.551,498 0.957,499 0.597,500 0.805,501 0.794,502 0.826,503 0.375,504 0.832,505 0.711,506 0.928,507 0.937,508 1.038,509 0.58,510 1.034,511 0.812,512 0.867,513 0.959,514 1,515 0.915,516 1.02,517 0.819,518 0.989,519 0.866,520 1.032,521 0.933,522 0.989,523 1.654,524 1.14,525 1.181,526 0.862,527 1.69,528 0.893,529 1.286,530 1.017,531 1.112,532 0.922,533 1.299,534 0.957,535 0.977,536 1.164,537 0.846,538 1.049,539 0.972,540 0.949,541 10,542 0.404,543 5.778,544 2.75,545 2.916,546 1.917,547 1.074,548 0.979,549 0.772,550 0.474,551 36821,552 98879,553 2.103,554 42.9,556 28,558 2,559 1,560 2,564 1.822,565 1.963,566 4.02,567 -0.4,573 122.839,574 1.595,575 3.585,576 4.676,577 5.458,578 5.666,579 5.666,580 3.533,581 4.789,582 5.425,583 4.221,584 3992.61,585 9.607,586 75234.7,591 482.543,592 1.531,593 5.384,594 0.204,595 0.007,596 0.081,597 0.037,598 0.041,599 0.027,600 0.016,601 0.015,602 0.012,603 0.008,604 0.448,605 0.17,606 0.75,607 1.091,608 257.456,609 -0.023,610 -0.156,611 0.051,612 -0.063,613 -0.066,614 -0.006,615 0.275,616 0.239,617 0.091,618 0.14,619 0.379,620 0.096,621 -0.058,622 -0.06,623 -0.065,624 -0.063,625 -0.004,626 -0.062,627 0.05,628 0.028,629 -0.002,630 -0.012,631 -0.031,632 -0.024,633 0.092,634 -0.058,635 0.113,636 -0.026,637 0.018,638 0.024,639 -0.251,640 0.04,641 -0.11,642 0.126,643 -0.228,644 0.066,645 -0.066,646 0.145,647 -0.098,648 0.057,649 -0.108,650 -0.007,651 -0.006,652 -0.177,653 0.144,654 -0.048,655 0.015,656 0.054,657 5.803,658 6.368,659 0.727,660 64.99,661 1.009,662 1.136,663 3.579,664 12.808,665 0.672,666 3.912,667 4.277,668 4.543,669 4.82,670 5.124,671 5.22,672 5.421,673 5.595,674 5.805,675 5.897,676 9.709,677 0.648,678 598.73,679 3.912,680 5.485,681 6.344,682 7.239,683 8.118,684 9.015,685 9.902,686 10.8,687 11.692,688 12.592,689 7.8,692 1,695 1,696 1,697 1,699 2,703 4,704 14,705 2,709 6,711 28,724 1,726 1,731 77,733 29,734 3,735 49,737 82,738 34,739 24,740 8,741 10,746 6,747 8,752 1,757 1,758 1,761 25,762 9,766 1,771 1,775 1,779 3,781 33,782 10,783 1,784 10,790 6,794 0.667,795 1,805 2,812 6,816 2,827 1,836 1,840 4,844 2,846 3,848 44,854 6,855 1,859 3,860 1,869 3,870 1.3,873 1,877 22.417,878 14.512,879 9.361,880 4.59,881 5.779,882 1.608,883 1.02,884 8.442,885 15.276,886 4.174,887 4.808,888 5.418,889 6.032,890 6.666,891 7.024,892 7.536,893 8.039,894 8.586,895 8.96,896 0.917,897 75,898 16.897,900 7.797,901 7.911,902 30.975,904 25.908,905 2.411,906 106.083,910 376.675,911 201.391,912 60.955,914 25.145,915 44.88,917 201.391,918 401.82,919 105.835,920 16.793,921 16.187,922 113.715,923 86.963,924 114.496,926 353.133,927 7.76,928 376.675,929 262.346,930 70.025,933 376.675,934 70.025,937 67.465,938 161.31,939 33.571,941 421.556,942 86.1,943 201.391,946 384.435,947 45.029,948 157.976,949 18.011,950 103.596,951 376.675,952 130.98,953 201.391,955 0.593,956 0.335,957 0.178,958 0.105,959 35,960 16,961 0.085,962 7,963 2,964 1.125,965 5.23,966 467.63,967 0.125,968 32,969 226.705,974 29.871,975 12.435,976 6.675,977 3.427,978 130.98,979 25.374,980 9.038,984 2.242,986 18.011,987 709.046,988 64,993 12.522,997 0.026,999 77.73,1000 87.446,1001 0.255,1002 0.572,1003 0.746,1004 0.871,1005 0.904,1006 0.904,1007 5.438,1008 2.191,1009 6.361,1010 7.256,1011 4.963,1012 5.497,1013 3.393,1014 7.21,1015 4.872,1016 6.664,1017 1.972,1018 7.948,1019 5.914,1020 4.691,1021 5.38,1022 4.001,1023 8.298,1024 4.483,1025 7.988,1026 1.664,1027 9.642,1028 5.239,1029 6.627,1030 7.742,1031 5.503,1032 11.352,1033 6.435,1034 9.348,1035 1.618,1036 11.399,1037 4.786,1038 7.148,1039 8.433,1040 6.717,1041 13.258,1042 6.838,1043 10.74,1044 1.618,1045 13.199,1046 4.545,1047 8.595,1048 10.303,1049 8.077,1050 15.891,1051 8.284,1052 12.154,1053 1.422,1054 15.029,1055 4.171,1056 9.47,1057 11.386,1058 9.396,1059 18.129,1060 9.055,1061 13.586,1062 1.286,1063 16.881,1064 3.563,1065 10.736,1066 13.042,1067 10.739,1068 20.643,1069 10.293,1070 3.411,1071 1.26,1072 18.751,1073 3.396,1074 11.775,1075 14.324,1076 12.076,1077 23.025,1078 11.239,1079 3.114,1080 12.462,1081 20.636,1082 2.939,1083 12.976,1084 15.881,1085 13.418,1086 25.515,1087 12.392,1088 2.937,1089 10.421,1090 22.532,1091 4.495,1092 14.092,1093 17.263,1094 14.758,1095 27.963,1096 13.422,1097 2.852,1098 9.473,1099 24.439,1100 4.334,1101 15.276,1102 18.775,1103 16.1,1104 30.455,1105 14.542,1106 2.651,1107 9.013,1108 26.355,1109 4.093,1110 16.43,1111 20.207,1112 17.441,1113 32.936,1114 15.611,1115 2.581,1116 8.461,1117 28.279,1118 3.492,1119 17.614,1120 21.7,1121 18.783,1122 35.435,1123 16.721,1124 2.394,1125 8.438,1126 30.21,1127 3.127,1128 18.79,1129 23.157,1130 20.124,1131 37.933,1132 17.81,1133 34296,1134 56480,1135 32.709,1136 51.722,1137 75.199,1138 75.313,1139 75.701,1140 74.77,1141 74.462,1142 96.49,1143 16.642,1144 220.73,1145 71.019,1146 5.596,1147 6.472,1148 6.976,1149 5.369,1150 5.411,1151 7.495,1152 5.335,1153 20.192,1154 5.095,1155 23.254,1156 1.535,1157 1.537,1158 1.545,1159 1.526,1160 1.52,1161 1.969,1162 0.34,1163 4.505,1164 1.449,1165 4.142,1166 4.17,1167 4.106,1168 4.078,1169 8.513,1170 4.081,1171 4.011,1172 4.043,1173 3.972,1174 3.934,1175 7.999,1176 3.939,1177 3.962,1178 3.999,1179 3.92,1180 3.867,1181 7.999,1182 3.874,1183 3.803,1184 3.855,1185 3.72,1186 3.618,1187 7.427,1188 3.633,1189 3.643,1190 3.728,1191 3.506,1192 3.474,1193 5.047,1194 3.473,1195 3.547,1196 3.585,1197 3.478,1198 3.428,1199 4.942,1200 3.43,1201 3.355,1202 3.415,1203 3.347,1204 3.21,1205 4.703,1206 3.208,1207 3.34,1208 3.395,1209 3.232,1210 3.103,1211 4.441,1212 3.114,1213 0.094,1214 0.091,1215 0.149,1216 0.088,1217 0.07,1218 4.596,1219 0.092,1220 4.472,1221 0.078,1222 7.289,1223 0.254,1224 4.301,1225 0.063,1226 3.411,1227 4.495,1228 3.825,1229 12.462,1230 3.095,1231 2.091,1232 2.07,1233 2.157,1234 2.168,1235 1.313,1236 2.166,1237 1.988,1238 1.962,1239 2.067,1240 2.09,1241 1.285,1242 2.085,1243 1.918,1244 1.888,1245 2.024,1246 2.049,1247 1.169,1248 2.045,1249 1.744,1250 1.687,1251 1.924,1252 1.938,1253 1.137,1254 1.935,1255 1.609,1256 1.533,1257 1.853,1258 1.845,1259 1.058,1260 1.853,1261 1.54,1262 1.503,1263 1.673,1264 1.651,1265 0.825,1266 1.661,1267 1.313,1268 1.265,1269 1.606,1270 1.556,1271 0.757,1272 1.569,1273 1.291,1274 1.217,1275 1.513,1276 1.475,1277 0.734,1278 1.465,1279 4.595,1281 5.948,1283 7.494,1285 9.127,1287 10.807,1289 3.807,1291 43.105,1295 2.491,1296 3.212,1300 5.392,1301 -4.553,1305 49.895,1306 122.839,1307 276.042,1308 360.039,1309 420.278,1310 436.278,1311 436.278,1312 97.842,1313 9.497,1314 64.6,1315 64.6,1316 36,1317 13.115,1318 4.907,1319 4,1320 66.258,1321 255,1322 290,1323 0.124,1324 299.923,1325 524.14,1326 723.571,1327 234530,1328 3.9,1329 30.846,1330 0.701,1331 0.559,1332 28.346,1333 24.604,1334 21.152,1335 0.432,1336 0.297,1337 14.316,1338 20.268,1339 13.985,1340 11.528,1341 19.941,1342 14.552,1343 20.24,1344 0.285,1345 0.159,1346 18.245,1347 11.283,1348 16.278,1349 0.175,1350 0.086,1351 15.497,1352 7.992,1353 13.61,1354 0.111,1355 0.046,1356 13.001,1357 5.61,1358 12.006,1359 0.072,1360 0.024,1361 11.099,1362 4.06,1363 0.199,1364 132.987,1365 0.175,1366 39.108,1367 0.328,1368 240,1369 814.627,1370 270.971,1371 715.915,1372 961.62,1373 668,1374 284,1375 693.862,1376 310.014,1377 690.28,1378 1030.16,1379 648,1380 6.523}
{0 CHEMBL1256459,1 1.635,2 15.6,3 5.914,4 34.979,5 166.577,6 8.324,7 0.549,8 4.412,9 4.518,10 4.076,11 4.001,12 5.569,13 4,14 4.976,15 5.129,16 4.529,17 4.418,18 6.423,19 4.41,20 5.234,21 5.416,22 4.623,23 4.611,24 6.385,25 4.583,26 5.339,27 5.521,28 4.641,29 4.659,30 6.56,31 4.619,32 5.401,33 5.602,34 4.655,35 4.682,36 6.598,37 4.628,38 5.429,39 5.652,40 4.618,41 4.611,42 6.654,43 4.573,44 5.312,45 5.524,46 4.645,47 4.501,48 6.78,49 4.499,50 5.153,51 5.315,52 4.607,53 4.468,54 6.525,55 4.476,56 0.105,57 1.277,58 11.44,59 6.544,60 22.431,61 7.532,62 0.955,63 2.514,64 25.208,65 10.949,66 141.297,67 12.929,68 0.572,69 2.614,70 34.776,71 14.667,72 64.874,73 17.937,74 0.945,75 2.982,76 40.053,77 16.653,78 108.727,79 19.517,80 0.955,81 3.165,82 45.293,83 19.162,84 122.018,85 23.422,86 1.142,87 3.396,88 51.443,89 19.723,90 191.007,91 22.898,92 1.619,93 3.202,94 45.218,95 15.984,96 224.702,97 18.025,98 0.556,99 2.771,100 31.662,101 14.132,102 76.398,103 15.415,104 42,105 76,106 0.248,107 0.563,108 0.733,109 0.833,110 0.874,111 0.874,112 3.832,113 0.868,114 -5.26,115 -5.15,116 -4.81,119 47.9,120 1,121 1,125 4,132 1,135 2,142 11,143 6,144 3,145 2,146 2,158 2,172 16,174 2,175 16,183 17,186 1,187 16,195 16,198 1,199 11,207 18,211 2,212 11,220 22,223 1,224 9,232 20,236 3,237 12,245 20,249 1,250 8,258 15,262 2,263 10,271 10,275 4593,276 30.444,277 30.444,278 30.444,279 30.444,280 30.444,281 27.003,282 28.19,283 17.321,284 31.067,285 25.106,286 25.106,287 25.106,288 25.106,289 25.106,290 19.579,291 39.976,292 8.114,293 26.18,294 4.555,295 2.48,296 1.364,297 0.706,298 0.432,299 0.432,300 4.552,305 1,306 1566,307 4.183,311 795.837,315 527.838,318 2.356,319 68.985,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 99,331 702,332 4.704,333 4.473,334 7.294,335 4.346,336 3.428,337 4.582,338 3.825,339 12.523,340 3.243,341 4.579,342 3.749,343 7.078,344 4.253,345 3.313,346 4.347,347 1.94,348 12.208,349 3.073,350 4.435,351 3.714,352 6.347,353 3.982,354 2.997,355 4.108,356 1.2,357 9.709,358 2.949,359 4.169,360 3.141,361 6.225,362 3.778,363 2.847,364 3.661,365 0.8,366 9.255,367 2.719,368 3.965,369 3.124,370 6.166,371 3.768,372 2.794,373 3.386,374 0.555,375 8.996,376 2.667,377 3.928,378 2.962,379 5.987,380 3.554,381 2.621,382 3.106,383 0.293,384 8.435,385 2.502,386 3.791,387 2.69,388 5.963,389 3.508,390 2.538,391 3.076,393 8.387,394 2.326,395 3.646,396 2.561,397 5.617,398 3.251,399 2.266,400 2.892,402 7.287,403 2.228,404 3.43,405 2.331,406 5.105,407 3.023,408 2.017,409 2.673,411 5.901,412 2.015,413 3.237,414 2.254,415 4.84,416 2.775,417 1.805,418 2.546,420 5.175,421 1.738,422 3.118,423 1.915,424 4.735,425 2.64,426 1.662,427 2.427,428 4.764,429 1.612,430 3.056,431 1.703,432 4.493,433 2.587,434 1.618,435 2.311,436 4.495,437 1.569,438 2.934,439 1.618,440 4.324,441 2.549,442 1.556,443 1.985,445 4.069,446 1.54,447 2.806,448 1.558,449 4.17,450 2.306,451 1.323,452 1.946,454 3.499,455 1.301,456 2.595,457 1.313,458 4.056,459 2.256,460 1.295,461 1.617,463 2.994,464 1.228,465 21.024,466 0.467,467 1.309,468 0.029,469 61.5,470 1.367,471 31.5,472 0.7,473 30,474 0.667,475 42.736,476 0.95,477 46.776,478 0.641,479 59.63,480 1.325,481 12.115,482 0.269,483 9.591,484 0.213,485 0.096,486 0.024,487 0.366,490 3,493 0.554,494 1.053,495 0.635,496 1.007,497 0.534,498 0.886,499 0.5,500 0.82,501 0.724,502 0.864,503 0.386,504 0.848,505 0.714,506 0.86,507 0.828,508 0.91,509 0.592,510 0.893,511 0.937,512 0.885,513 1.041,514 1.001,515 0.972,516 1.039,517 0.828,518 0.947,519 0.92,520 1.04,521 0.936,522 1.027,523 1.32,524 1.174,525 1.025,526 0.96,527 1.349,528 0.922,529 1.302,530 1.063,531 0.971,532 0.781,533 1.288,534 0.772,535 1.232,536 1.396,537 0.912,538 1.167,539 1.207,540 1.007,541 9.5,542 0.421,543 6.444,544 3.313,545 3.391,546 2.306,547 1.562,548 1.236,549 0.924,550 0.612,551 35867,552 102381,553 2.139,554 38.4,555 3,556 21,558 2,560 2,564 1.831,565 1.993,566 3.86,567 -0.773,573 119.362,574 1.635,575 3.71,576 4.826,577 5.484,578 5.758,579 5.758,580 3.355,581 5.297,582 5.457,583 4.032,584 3991.75,585 9.699,586 71814.3,591 451.857,592 1.545,593 5.417,594 0.186,595 0.007,596 0.085,597 0.039,598 0.041,599 0.028,600 0.02,601 0.015,602 0.012,603 0.008,604 0.441,605 0.17,606 0.75,607 0.831,608 259.779,609 -0.017,610 -0.129,611 0.05,612 -0.05,613 -0.059,615 0.305,616 0.196,617 0.1,618 0.078,619 0.326,620 0.046,621 -0.054,622 -0.025,623 0.034,624 0.032,625 0.007,626 0.056,627 -0.051,628 0.042,629 -0.131,630 -0.038,631 -0.082,632 -0.092,633 0.048,634 -0.023,635 0.037,636 -0.038,637 -0.037,638 -0.02,639 -0.122,640 -0.045,641 0.036,642 0.059,643 -0.139,644 0.087,645 0.092,646 0.189,647 0.096,648 0.203,649 0.082,650 0.17,651 -0.091,652 -0.255,653 0.015,654 -0.179,655 -0.05,656 -0.086,657 5.921,658 6.583,659 0.8,660 58.655,661 1.016,662 1.128,663 4.028,664 16.224,665 0.694,666 3.951,667 4.344,668 4.673,669 4.99,670 5.328,671 5.489,672 5.737,673 5.953,674 6.172,675 6.299,676 8.656,677 0.679,678 607.68,679 3.951,680 5.541,681 6.428,682 7.344,683 8.249,684 9.169,685 10.082,686 11.005,687 11.922,688 12.847,689 6.8,695 1,696 2,699 2,703 4,704 13,705 2,709 7,711 28,726 1,731 73,733 31,734 3,735 51,737 79,738 35,739 24,740 8,741 10,742 3,746 7,747 11,752 2,757 1,758 1,761 28,762 7,766 3,771 2,773 2,775 2,779 3,781 28,782 10,784 10,790 5,794 0.571,795 2,805 2,812 7,816 3,827 2,831 2,840 4,844 1,846 3,848 45,854 5,859 3,860 1,869 3,870 2.7,873 2,877 22.583,878 13.762,879 9.556,880 4.636,881 6.084,882 1.605,883 1.046,884 7.301,885 16.137,886 4.234,887 4.887,888 5.539,889 6.178,890 6.846,891 7.281,892 7.83,893 8.365,894 8.918,895 9.328,896 0.909,897 85,898 17.41,900 8.317,901 7.998,902 31.453,904 26.893,905 2.498,906 112.417,910 329.591,911 208.684,912 42.944,914 50.29,915 44.88,917 208.684,918 379.881,919 87.824,920 8.825,921 17.206,922 123.191,923 116.812,924 96.546,926 306.049,927 7.76,928 329.591,929 251.628,930 95.17,933 329.591,934 95.17,937 56.174,938 142.931,939 52.524,941 374.471,942 93.234,943 208.684,946 337.35,947 50.813,948 159.484,950 128.741,951 329.591,952 138.114,953 208.684,955 0.598,956 0.357,957 0.193,958 0.112,959 40,960 18,961 0.051,962 4,963 3,964 1.167,965 5.112,966 519.236,967 0.167,968 36,969 238.379,974 29.01,975 11.325,976 5.32,977 3.071,978 138.114,979 22.908,980 9.145,984 2.084,987 676.389,988 68,993 25.569,995 2.985,997 -0.474,999 74.189,1000 82.327,1001 0.264,1002 0.599,1003 0.78,1004 0.886,1005 0.93,1006 0.93,1007 5.513,1008 2.266,1009 6.457,1010 8.387,1011 5.03,1012 5.576,1013 3.446,1014 7.351,1015 4.952,1016 6.753,1017 2.017,1018 8.071,1019 7.287,1020 4.796,1021 5.491,1022 4.001,1023 8.499,1024 4.615,1025 8.092,1026 1.805,1027 9.791,1028 5.901,1029 6.735,1030 7.842,1031 5.515,1032 11.596,1033 6.561,1034 9.465,1035 1.662,1036 11.573,1037 5.175,1038 7.3,1039 8.562,1040 6.718,1041 13.551,1042 7.022,1043 10.87,1044 1.618,1045 13.396,1046 4.764,1047 8.748,1048 10.415,1049 8.078,1050 16.222,1051 8.459,1052 12.298,1053 1.556,1054 15.246,1055 4.495,1056 9.662,1057 11.521,1058 9.396,1059 18.5,1060 9.281,1061 13.742,1062 1.323,1063 17.117,1064 4.069,1065 10.933,1066 13.166,1067 10.739,1068 21.046,1069 10.522,1070 3.428,1071 1.295,1072 19.003,1073 3.499,1074 12.003,1075 14.467,1076 12.076,1077 23.459,1078 11.512,1079 3.313,1080 12.523,1081 20.903,1082 2.994,1083 13.214,1084 16.022,1085 13.418,1086 25.972,1087 12.679,1088 2.997,1089 12.208,1090 22.813,1091 4.582,1092 14.353,1093 17.42,1094 14.758,1095 28.442,1096 13.746,1097 2.847,1098 9.709,1099 24.732,1100 4.347,1101 15.549,1102 18.937,1103 16.1,1104 30.949,1105 14.889,1106 2.794,1107 9.255,1108 26.658,1109 4.108,1110 16.721,1111 20.384,1112 17.441,1113 33.444,1114 15.994,1115 2.621,1116 8.996,1117 28.591,1118 3.661,1119 17.916,1120 21.886,1121 18.783,1122 35.954,1123 17.132,1124 2.538,1125 8.435,1126 30.53,1127 3.386,1128 19.106,1129 23.358,1130 20.124,1131 38.46,1132 18.257,1133 32944,1134 55911,1135 34.213,1136 50.648,1137 79.417,1138 80.546,1139 80.757,1140 78.485,1141 78.128,1142 102.305,1143 17.228,1144 239.766,1145 75.086,1146 5.704,1147 6.473,1148 6.981,1149 5.414,1150 5.428,1151 7.582,1152 5.335,1153 20.259,1154 5.243,1155 22.936,1156 1.557,1157 1.579,1158 1.583,1159 1.539,1160 1.532,1161 2.006,1162 0.338,1163 4.701,1164 1.472,1165 4.163,1166 4.189,1167 4.133,1168 4.096,1169 8.513,1170 4.101,1171 4.028,1172 4.056,1173 3.992,1174 3.954,1175 7.999,1176 3.96,1177 3.963,1178 4.001,1179 3.923,1180 3.868,1181 7.999,1182 3.875,1183 3.793,1184 3.842,1185 3.713,1186 3.626,1187 7.43,1188 3.636,1189 3.684,1190 3.711,1191 3.635,1192 3.583,1193 7.426,1194 3.59,1195 3.513,1196 3.58,1197 3.389,1198 3.347,1199 5.041,1200 3.348,1201 3.443,1202 3.481,1203 3.375,1204 3.331,1205 4.934,1206 3.324,1207 3.317,1208 3.362,1209 3.305,1210 3.06,1211 4.683,1212 3.095,1213 0.092,1214 0.088,1215 0.143,1216 0.085,1217 0.067,1218 4.704,1219 0.09,1220 4.473,1221 0.075,1222 7.294,1223 0.246,1224 4.346,1225 0.064,1226 3.428,1227 4.582,1228 3.825,1229 12.523,1230 3.243,1231 2.104,1232 2.083,1233 2.163,1234 2.182,1235 1.32,1236 2.177,1237 2.006,1238 1.982,1239 2.079,1240 2.101,1241 1.297,1242 2.096,1243 1.918,1244 1.888,1245 2.023,1246 2.053,1247 1.19,1248 2.046,1249 1.74,1250 1.688,1251 1.909,1252 1.922,1253 1.082,1254 1.917,1255 1.661,1256 1.632,1257 1.81,1258 1.779,1259 0.992,1260 1.782,1261 1.509,1262 1.439,1263 1.767,1264 1.712,1265 0.874,1266 1.737,1267 1.422,1268 1.387,1269 1.567,1270 1.556,1271 0.825,1272 1.559,1273 1.156,1274 1.119,1275 1.513,1276 1.435,1277 0.629,1278 1.429,1279 4.635,1281 6.009,1283 7.588,1285 9.259,1287 10.979,1289 1.769,1291 43.75,1295 1.619,1300 4.662,1301 -4.671,1305 49.535,1306 119.362,1307 270.83,1308 352.294,1309 400.347,1310 420.347,1311 420.347,1312 104.541,1313 10.053,1314 71.33,1315 71.33,1316 42,1317 13.354,1318 5,1319 4.17,1320 62.091,1321 227,1322 285,1323 0.129,1324 293.469,1325 521.59,1326 707.824,1327 422642,1328 4.1,1329 31.294,1330 0.695,1331 0.542,1332 28.794,1333 24.382,1334 21.707,1335 0.426,1336 0.289,1337 14.535,1338 20.856,1339 14.281,1340 11.696,1341 20.496,1342 14.751,1343 20.691,1344 0.272,1345 0.147,1346 18.696,1347 11.138,1348 17.849,1349 0.168,1350 0.08,1351 17.068,1352 8.46,1353 15.244,1354 0.104,1355 0.042,1356 14.619,1357 6.162,1358 13.56,1359 0.066,1360 0.022,1361 12.73,1362 4.524,1363 0.203,1364 136.204,1365 0.171,1366 39.01,1367 0.357,1368 254,1369 880.03,1370 286.797,1371 775.96,1372 1049.67,1373 724,1374 309,1375 768.061,1376 336.841,1377 759.545,1378 1146.45,1379 718,1380 5.745}
{0 CHEMBL1256469,1 1.65,2 14.909,3 5.247,4 27.535,5 161.95,6 8.481,7 0.56,8 4.377,9 4.48,10 4.056,11 3.968,12 5.549,13 3.972,14 4.936,15 5.084,16 4.515,17 4.385,18 6.412,19 4.383,20 5.189,21 5.362,22 4.597,23 4.584,24 6.353,25 4.559,26 5.305,27 5.486,28 4.617,29 4.635,30 6.522,31 4.593,32 5.374,33 5.58,34 4.63,35 4.64,36 6.58,37 4.59,38 5.353,39 5.566,40 4.598,41 4.556,42 6.62,43 4.533,44 5.241,45 5.432,46 4.632,47 4.467,48 6.76,49 4.475,50 5.136,51 5.3,52 4.586,53 4.44,54 6.517,55 4.45,56 0.119,57 1.236,58 10.415,59 6.181,60 22.154,61 6.959,62 0.963,63 2.448,64 23.213,65 10.311,66 137.296,67 11.841,68 0.602,69 2.53,70 31.536,71 13.739,72 65.726,73 16.205,74 0.888,75 2.91,76 37.35,77 16.323,78 95.908,79 19.15,80 1.018,81 3.076,82 44.563,83 18.605,84 126.174,85 22.715,86 1.158,87 3.237,88 46.308,89 18.031,90 189.182,91 20.138,92 1.559,93 3.082,94 39.322,95 14.761,96 216.387,97 15.742,98 0.603,99 2.725,100 30.451,101 13.806,102 76.451,103 14.88,104 41,105 75,106 0.252,107 0.564,108 0.724,109 0.829,110 0.873,111 0.873,112 3.81,113 0.851,114 -5.08,115 -4.98,116 -4.66,119 48.6,120 1,125 4,132 1,135 2,142 11,143 6,144 3,145 2,146 2,158 2,172 15,174 2,175 16,183 17,186 1,187 14,195 16,198 1,199 11,207 18,211 2,212 11,220 22,223 1,224 8,232 20,236 3,237 12,245 20,249 1,250 8,258 13,262 2,263 10,271 8,275 4280,276 29.573,277 29.573,278 29.573,279 29.573,280 29.573,281 26.08,282 26.978,283 16.819,284 30.189,285 24.685,286 24.685,287 24.685,288 24.685,289 24.685,290 19.168,291 39.251,292 7.959,293 25.762,294 4.479,295 2.443,296 1.394,297 0.707,298 0.422,299 0.422,300 4.531,305 1,306 1466,307 4.062,311 767.436,315 508.855,318 2.277,319 67.841,322 0.75,323 0.67,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.73,330 97,331 656,332 4.704,333 4.473,334 7.294,335 4.346,336 3.428,337 4.582,338 3.825,339 12.523,340 3.243,341 4.579,342 3.749,343 7.078,344 4.253,345 3.313,346 4.347,347 1.94,348 12.208,349 3.073,350 4.435,351 3.67,352 6.347,353 3.982,354 2.997,355 4.108,356 1.2,357 9.709,358 2.948,359 4.169,360 3.141,361 6.225,362 3.768,363 2.829,364 3.661,365 0.8,366 9.255,367 2.718,368 3.936,369 3.122,370 6.16,371 3.747,372 2.791,373 3.386,374 0.555,375 8.971,376 2.619,377 3.923,378 2.962,379 5.964,380 3.547,381 2.599,382 3.076,383 0.293,384 8.422,385 2.502,386 3.778,387 2.69,388 5.895,389 3.491,390 2.533,391 3.056,393 8.077,394 2.309,395 3.642,396 2.56,397 5.617,398 3.25,399 2.264,400 2.883,402 7.286,403 2.227,404 3.429,405 2.325,406 5.104,407 3.02,408 2.013,409 2.672,411 5.892,412 2.014,413 3.236,414 2.251,415 4.839,416 2.766,417 1.798,418 2.546,420 5.17,421 1.73,422 3.118,423 1.914,424 4.726,425 2.596,426 1.619,427 2.427,428 4.711,429 1.576,430 3.055,431 1.702,432 4.493,433 2.585,434 1.618,435 2.311,436 4.492,437 1.559,438 2.906,439 1.618,440 4.323,441 2.543,442 1.549,443 1.968,445 4.067,446 1.532,447 2.805,448 1.558,449 4.075,450 2.303,451 1.311,452 1.932,454 3.174,455 1.3,456 2.585,457 1.313,458 4.014,459 2.175,460 1.204,461 1.614,463 2.993,464 1.151,465 20.524,466 0.466,467 1.347,468 0.031,469 61,470 1.386,471 31.5,472 0.716,473 29.5,474 0.67,475 40.62,476 0.923,477 45.476,478 0.65,479 58.867,480 1.338,481 12.174,482 0.277,483 8.995,484 0.204,485 0.099,486 0.024,487 0.375,490 3,493 0.555,494 1.043,495 0.62,496 0.994,497 0.535,498 0.871,499 0.503,500 0.806,501 0.71,502 0.842,503 0.38,504 0.827,505 0.739,506 0.849,507 0.877,508 0.912,509 0.615,510 0.918,511 0.835,512 0.9,513 1.012,514 1.051,515 0.869,516 1.079,517 0.821,518 0.913,519 0.888,520 0.992,521 0.93,522 0.98,523 1.392,524 1.189,525 1.051,526 0.942,527 1.419,528 0.905,529 1.343,530 1.133,531 1.03,532 0.858,533 1.351,534 0.844,535 1.215,536 1.385,537 0.924,538 1.179,539 1.192,540 1.024,541 9.5,542 0.408,543 6.222,544 3.313,545 3.391,546 2.278,547 1.522,548 1.236,549 0.924,550 0.542,551 33618,552 98632,553 2.142,554 37.1,556 21,558 2,560 3,564 1.826,565 1.992,566 3.808,567 -0.768,573 115.5,574 1.65,575 3.687,576 4.736,577 5.422,578 5.708,579 5.708,580 3.342,581 4.923,582 5.426,583 3.986,584 3770.55,585 9.638,586 66422,591 429.05,592 1.556,593 5.383,594 0.19,595 0.007,596 0.083,597 0.04,598 0.042,599 0.028,600 0.02,601 0.016,602 0.012,603 0.008,604 0.445,605 0.33,606 0.75,607 0.719,608 251.87,609 -0.02,610 -0.131,611 0.049,612 -0.053,613 -0.062,614 -0.002,615 0.302,616 0.207,617 0.101,618 0.09,619 0.333,620 0.054,621 -0.08,622 -0.014,623 -0.034,624 0.022,625 -0.015,626 0.016,627 -0.014,628 0.013,629 -0.11,630 -0.081,631 -0.056,632 -0.116,633 0.054,634 -0.005,635 0.095,636 0.012,637 -0.034,638 0.044,639 -0.153,640 -0.026,641 0.009,642 0.079,643 -0.166,644 0.093,645 0.077,646 0.16,647 0.007,648 0.13,649 0.059,650 0.074,651 -0.094,652 -0.262,653 0.006,654 -0.193,655 -0.056,656 -0.1,657 5.92,658 6.529,659 0.818,660 55.752,661 1.019,662 1.127,663 3.85,664 14.821,665 0.698,666 3.932,667 4.331,668 4.654,669 4.977,670 5.318,671 5.481,672 5.724,673 5.938,674 6.159,675 6.28,676 8.414,677 0.686,678 593.65,679 3.932,680 5.525,681 6.412,682 7.33,683 8.235,684 9.156,685 10.07,686 10.993,687 11.911,688 12.836,689 7.1,695 1,696 2,699 2,703 4,704 13,705 2,709 7,711 28,726 1,731 70,733 31,734 3,735 50,737 76,738 34,739 24,740 8,741 10,742 3,746 7,747 11,752 2,757 1,761 28,762 6,766 3,771 2,773 2,775 2,779 3,781 26,782 10,784 10,790 5,794 0.571,795 2,805 2,812 7,816 3,827 2,831 2,840 4,844 1,846 3,848 44,854 4,859 3,860 1,869 3,870 2.9,873 2,877 22.083,878 13.262,879 9.222,880 4.261,881 6.084,882 1.609,883 1.052,884 6.868,885 16.075,886 4.22,887 4.879,888 5.527,889 6.174,890 6.844,891 7.279,892 7.828,893 8.363,894 8.916,895 9.326,896 1,897 83,898 17.016,900 8.16,901 8.021,902 30.636,904 26.231,905 2.521,906 110.917,910 306.049,911 206.15,912 42.944,914 50.29,915 44.88,917 206.15,918 356.339,919 87.824,920 8.825,921 14.671,922 123.191,923 116.812,924 96.546,926 282.506,927 7.76,928 306.049,929 249.094,930 95.17,933 306.049,934 95.17,937 53.639,938 142.931,939 52.524,941 350.929,942 93.234,943 206.15,946 313.808,947 48.279,948 159.484,950 128.741,951 306.049,952 138.114,953 206.15,955 0.602,956 0.354,957 0.192,958 0.113,959 40,960 18,961 0.039,962 3,963 3,964 1.167,965 5.034,966 506.205,967 0.167,968 36,969 231.46,974 28.067,975 10.767,976 5.113,977 3.067,978 138.114,979 22.87,980 9.134,984 2.069,987 650.312,988 67,993 25.173,995 2.98,997 -0.563,999 71.305,1000 78.912,1001 0.269,1002 0.602,1003 0.773,1004 0.885,1005 0.931,1006 0.931,1007 5.501,1008 2.264,1009 6.444,1010 8.077,1011 5.017,1012 5.568,1013 3.446,1014 7.339,1015 4.938,1016 6.745,1017 2.013,1018 8.059,1019 7.286,1020 4.796,1021 5.491,1022 4.001,1023 8.489,1024 4.615,1025 8.084,1026 1.798,1027 9.78,1028 5.892,1029 6.723,1030 7.837,1031 5.515,1032 11.585,1033 6.546,1034 9.459,1035 1.619,1036 11.562,1037 5.17,1038 7.294,1039 8.559,1040 6.718,1041 13.542,1042 7.013,1043 10.864,1044 1.618,1045 13.385,1046 4.711,1047 8.738,1048 10.411,1049 8.078,1050 16.213,1051 8.446,1052 12.291,1053 1.549,1054 15.236,1055 4.492,1056 9.654,1057 11.518,1058 9.396,1059 18.493,1060 9.269,1061 13.736,1062 1.311,1063 17.107,1064 4.067,1065 10.925,1066 13.164,1067 10.739,1068 21.04,1069 10.51,1070 3.428,1071 1.204,1072 18.994,1073 3.174,1074 11.995,1075 14.465,1076 12.076,1077 23.454,1078 11.5,1079 3.313,1080 12.523,1081 20.894,1082 2.993,1083 13.207,1084 16.02,1085 13.418,1086 25.968,1087 12.667,1088 2.997,1089 12.208,1090 22.805,1091 4.582,1092 14.346,1093 17.419,1094 14.758,1095 28.439,1096 13.736,1097 2.829,1098 9.709,1099 24.724,1100 4.347,1101 15.542,1102 18.936,1103 16.1,1104 30.947,1105 14.879,1106 2.791,1107 9.255,1108 26.651,1109 4.108,1110 16.715,1111 20.383,1112 17.441,1113 33.442,1114 15.985,1115 2.599,1116 8.971,1117 28.585,1118 3.661,1119 17.911,1120 21.886,1121 18.783,1122 35.952,1123 17.124,1124 2.533,1125 8.422,1126 30.524,1127 3.386,1128 19.101,1129 23.358,1130 20.124,1131 38.459,1132 18.249,1133 30784,1134 52966,1135 33.52,1136 48.887,1137 78.593,1138 78.944,1139 79.026,1140 77.464,1141 77.183,1142 101.434,1143 17.228,1144 237.22,1145 74.157,1146 5.704,1147 6.473,1148 6.981,1149 5.414,1150 5.428,1151 7.582,1152 5.335,1153 20.259,1154 5.243,1155 22.58,1156 1.572,1157 1.579,1158 1.581,1159 1.549,1160 1.544,1161 2.029,1162 0.345,1163 4.744,1164 1.483,1165 4.163,1166 4.188,1167 4.133,1168 4.096,1169 8.513,1170 4.101,1171 4.028,1172 4.056,1173 3.992,1174 3.954,1175 7.999,1176 3.96,1177 3.962,1178 4,1179 3.922,1180 3.867,1181 7.999,1182 3.874,1183 3.782,1184 3.833,1185 3.701,1186 3.621,1187 7.43,1188 3.629,1189 3.681,1190 3.707,1191 3.63,1192 3.568,1193 7.426,1194 3.577,1195 3.446,1196 3.485,1197 3.389,1198 3.341,1199 5.041,1200 3.344,1201 3.405,1202 3.461,1203 3.331,1204 3.189,1205 4.934,1206 3.2,1207 3.317,1208 3.362,1209 3.272,1210 3.058,1211 4.683,1212 3.092,1213 0.094,1214 0.089,1215 0.146,1216 0.087,1217 0.069,1218 4.704,1219 0.092,1220 4.473,1221 0.077,1222 7.294,1223 0.25,1224 4.346,1225 0.065,1226 3.428,1227 4.582,1228 3.825,1229 12.523,1230 3.243,1231 2.104,1232 2.083,1233 2.163,1234 2.182,1235 1.319,1236 2.177,1237 2.006,1238 1.982,1239 2.079,1240 2.101,1241 1.294,1242 2.096,1243 1.917,1244 1.888,1245 2.021,1246 2.051,1247 1.19,1248 2.045,1249 1.729,1250 1.677,1251 1.894,1252 1.914,1253 1.074,1254 1.907,1255 1.656,1256 1.623,1257 1.775,1258 1.771,1259 0.875,1260 1.77,1261 1.423,1262 1.389,1263 1.657,1264 1.609,1265 0.825,1266 1.622,1267 1.36,1268 1.298,1269 1.567,1270 1.555,1271 0.708,1272 1.558,1273 1.155,1274 1.118,1275 1.513,1276 1.435,1277 0.629,1278 1.429,1279 4.615,1281 5.994,1283 7.575,1285 9.247,1287 10.968,1289 1.453,1291 43.586,1295 1.23,1300 4.588,1301 -4.67,1305 48.008,1306 115.5,1307 258.074,1308 331.486,1309 379.54,1310 399.54,1311 399.54,1312 99.774,1313 9.991,1314 71.33,1315 71.33,1316 42,1317 13.342,1318 5,1319 4.17,1320 60.022,1321 216,1322 252,1323 0.131,1324 283.876,1325 504.29,1326 684.419,1327 390695,1328 4.3,1329 30.587,1330 0.695,1331 0.538,1332 28.087,1333 23.675,1334 21.169,1335 0.423,1336 0.284,1337 13.975,1338 20.305,1339 13.717,1340 11.218,1341 19.958,1342 14.191,1343 20.55,1344 0.274,1345 0.145,1346 18.555,1347 10.91,1348 17.343,1349 0.167,1350 0.079,1351 16.562,1352 8.251,1353 15.008,1354 0.104,1355 0.042,1356 14.383,1357 6.004,1358 13.381,1359 0.066,1360 0.022,1361 12.55,1362 4.395,1363 0.205,1364 132.976,1365 0.173,1366 38.246,1367 0.365,1368 250,1369 876.03,1370 282.797,1371 772.076,1372 1042.89,1373 720,1374 304,1375 762.061,1376 331.342,1377 754.114,1378 1136.26,1379 712,1380 6.523}
{0 CHEMBL1257186,1 1.59,2 9.5,3 3.297,4 10.87,5 105.161,6 8.254,7 0.813,8 3.959,9 4.081,10 3.629,11 3.489,12 5.14,13 3.505,14 4.442,15 4.603,16 3.992,17 3.866,18 5.575,19 3.876,20 4.571,21 4.742,22 4.015,23 3.95,24 5.684,25 3.938,26 4.649,27 4.852,28 3.987,29 3.939,30 5.751,31 3.906,32 4.621,33 4.843,34 3.915,35 3.898,36 5.668,37 3.861,38 4.566,39 4.759,40 3.95,41 3.923,42 5.64,43 3.9,44 4.648,45 4.857,46 3.968,47 3.955,48 5.691,49 3.917,50 4.639,51 4.848,52 3.818,53 3.896,54 5.71,55 3.826,56 0.101,57 0.761,58 7.581,59 3.451,60 7.878,61 4.156,62 0.27,63 1.177,64 14.655,65 5.528,66 18.564,67 6.788,68 0.24,69 1.321,70 16.666,71 6.291,72 19.958,73 7.936,74 0.388,75 1.397,76 19.523,77 6.902,78 29.436,79 9.155,80 0.384,81 1.323,82 20.508,83 6.878,84 30.938,85 9.25,86 0.293,87 1.3,88 17.41,89 6.076,90 23.257,91 7.958,92 0.326,93 1.366,94 20.021,95 7.295,96 22.431,97 9.707,98 0.436,99 1.292,100 20.039,101 7.313,102 31.824,103 9.69,104 6,105 46,106 0.267,107 0.647,108 0.791,109 0.872,110 0.887,111 0.887,112 3.376,113 0.821,114 -4.84,115 -4.75,116 -4.46,119 44.4,124 2,142 7,143 3,144 2,145 2,147 1,149 1,152 1,161 1,166 1,168 1,172 6,174 2,175 9,178 1,180 5,183 7,186 1,187 7,192 3,195 3,198 2,199 8,202 4,204 3,207 3,211 2,212 6,215 2,217 2,220 3,223 1,224 11,229 1,232 4,236 1,237 6,240 2,241 1,242 2,245 6,249 4,250 5,253 1,258 5,263 4,268 2,271 5,275 1178,276 19.472,277 19.472,278 19.472,279 19.472,280 19.472,281 16.48,282 16.962,283 11.322,284 19.957,285 15.769,286 15.769,287 15.769,288 15.769,289 15.769,290 11.213,291 26.356,292 5.3,293 16.492,294 3.902,295 1.638,296 0.781,297 0.3,298 0.211,299 0.211,300 4.089,303 1,304 1,305 1,306 596,307 2.646,310 109.179,311 206.893,314 197.431,318 1.429,319 18.466,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60.5,331 266,332 4.677,333 3.274,334 6.777,335 4.2,336 3.24,337 4.643,338 0.86,339 11.154,340 3.122,341 4.51,342 3.068,343 6.62,344 4.024,345 3.048,346 4.454,347 0.4,348 10.559,349 2.965,350 4.077,351 2.914,352 5.765,353 3.656,354 2.698,355 3.678,357 7.969,358 2.584,359 3.836,360 2.575,361 5.718,362 3.38,363 2.43,364 3.353,366 7.724,367 2.31,368 3.656,369 2.408,370 5.493,371 3.238,372 2.299,373 3.071,375 7.111,376 2.15,377 3.297,378 2.135,379 4.944,380 2.894,381 1.948,382 2.557,384 5.685,385 1.834,386 3.054,387 1.556,388 4.657,389 2.538,390 1.555,391 2.332,393 4.626,394 1.53,395 3.038,396 1.539,397 4.35,398 2.494,399 1.538,400 2.306,402 3.777,403 1.464,404 2.743,405 1.446,406 4.068,407 2.281,408 1.327,409 1.843,411 3.591,412 1.263,413 2.672,414 1.276,415 3.775,416 2.18,417 1.205,418 1.752,420 2.718,421 1.172,422 2.5,423 1.022,424 3.492,425 1.97,426 1,427 1.5,428 2.516,429 0.968,430 2.416,431 1,432 3.403,433 1.926,434 0.986,435 1.382,436 2.23,437 0.924,438 1.949,439 0.936,440 3.15,441 1.432,442 0.468,443 0.688,445 1.199,446 0.45,447 1.584,448 0.472,449 2.962,450 1.294,451 0.43,452 0.482,454 0.627,455 0.368,456 1.345,457 0.174,458 2.689,459 0.959,460 0.03,461 0.038,463 0.082,464 0.028,465 13.133,466 0.469,467 0.619,468 0.022,469 42.25,470 1.509,471 23,472 0.821,473 19.25,474 0.688,475 18.867,476 0.674,477 28.267,478 0.628,479 31.228,480 1.115,481 8.538,482 0.305,483 5.187,484 0.185,485 0.076,487 0.373,493 0.849,494 1.201,495 0.683,496 0.991,497 0.836,498 0.84,499 1.172,500 1.045,501 0.767,502 0.806,503 0.951,504 0.739,505 1.134,506 1.275,507 0.953,508 1.062,509 1.015,510 0.99,511 0.887,512 1.107,513 0.998,514 1.064,515 1.025,516 1.049,517 0.992,518 0.918,519 0.917,520 0.837,521 1.003,522 0.855,523 1.04,524 1.117,525 0.99,526 0.942,527 0.995,528 0.937,529 0.877,530 0.994,531 0.928,532 0.997,533 0.821,534 0.97,535 0.913,536 1.003,537 1.18,538 1.158,539 1.036,540 1.206,541 5,542 0.07,543 3.111,544 1.882,545 1.31,546 0.886,547 0.671,548 0.475,549 0.288,550 0.167,551 9608,552 25877,553 2.2,554 37.8,556 13,558 2,559 2,564 1.717,565 2.1,566 3.234,567 0.282,568 1,569 1,573 71.556,574 1.59,575 3.854,576 4.71,577 5.192,578 5.281,579 5.281,580 2.683,581 4.736,582 4.78,583 3.384,584 1279.19,585 8.347,586 16368.1,588 1,590 1,591 247.133,592 1.264,593 4.757,594 0.156,595 0.005,596 0.068,597 0.041,598 0.03,599 0.022,600 0.016,601 0.011,602 0.008,603 0.008,604 0.364,605 0.17,606 0.88,607 0.615,608 137.849,609 0.036,610 -0.065,611 0.069,612 -0.048,613 -0.065,614 0.003,615 -0.079,616 0.036,617 0.093,618 0.133,619 -0.004,620 0.136,621 -0.16,622 -0.209,623 -0.086,624 -0.12,625 -0.082,626 -0.097,627 0.081,628 -0.061,629 -0.07,630 -0.132,631 -0.011,632 -0.133,633 -0.029,634 0.094,635 0.056,636 0.115,637 0.019,638 0.101,639 -0.143,640 -0.048,641 -0.097,642 -0.009,643 -0.119,644 -0.031,645 0.023,646 0.02,647 0.011,648 -0.032,649 0.054,650 -0.015,651 0.091,652 -0.015,653 -0.224,654 -0.187,655 -0.036,656 -0.246,657 1.062,658 1.817,659 0.857,660 22.786,661 1.01,662 1.128,663 3.61,664 13.03,665 0.696,666 3.497,667 3.85,668 4.19,669 4.511,670 4.736,671 4.883,672 5.1,673 5.293,674 5.389,675 5.509,676 5.874,677 0.678,678 371.44,679 3.497,680 5.056,681 5.938,682 6.838,683 7.735,684 8.642,685 9.545,686 10.456,687 11.363,688 12.275,689 15.6,697 3,699 4,703 4,704 9,705 4,706 1,709 5,710 1,711 26,724 1,729 1,731 45,733 26,734 2,735 32,737 49,738 20,739 18,740 5,741 7,746 5,747 7,761 18,762 2,777 1,778 1,781 17,782 6,783 2,784 8,790 7,794 0.6,795 1,803 2,806 1,811 2,812 3,815 2,840 3,844 2,848 28,855 1,856 1,870 2.2,875 1,877 13.333,878 8.917,879 6.083,880 2.493,881 4.905,882 1.61,883 1.057,884 4.044,885 12.95,886 3.829,887 4.533,888 5.235,889 5.917,890 6.468,891 6.896,892 7.439,893 7.976,894 8.348,895 8.822,896 1,897 46,898 10.25,900 4.384,901 7.625,902 19.565,904 16.07,905 2.125,906 59.5,909 1,910 176.567,911 128.555,912 103.347,914 11,917 128.555,918 187.566,919 103.347,920 19.279,922 66.334,923 92.155,924 84.205,925 4.472,926 153.024,928 176.567,929 231.902,930 11,933 178.894,934 11,937 56.26,938 106.417,939 66.897,941 176.567,942 114.347,943 128.555,946 176.567,947 24.847,948 105.485,949 34.674,950 77.897,951 176.567,952 114.347,953 128.555,955 0.584,956 0.356,957 0.201,958 0.105,959 25,960 10,961 0.082,962 4,963 2,964 1.167,965 3.952,966 263.34,967 0.167,968 24,969 134.606,974 16.869,975 6.713,976 2.945,977 3.495,978 95.908,979 17.183,980 18.049,981 2.988,984 3.832,985 1.743,986 34.674,987 419.469,988 45,999 45.458,1000 50.774,1001 0.29,1002 0.702,1003 0.858,1004 0.945,1005 0.962,1006 0.962,1007 5.059,1008 1.538,1009 5.927,1010 4.626,1011 4.533,1012 5.22,1013 1.029,1014 6.777,1015 4.448,1016 6.3,1017 1.327,1018 7.504,1019 3.777,1020 4.111,1021 5.094,1023 7.727,1024 3.99,1025 7.632,1026 1.205,1027 9.181,1028 3.591,1029 6.159,1030 7.563,1031 0.763,1032 10.865,1033 6,1034 9.005,1035 1,1036 10.917,1037 2.718,1038 6.594,1039 8.319,1041 12.662,1042 6.4,1043 10.412,1044 0.986,1045 12.693,1046 2.516,1047 8.082,1048 10.216,1049 0.597,1050 15.307,1051 7.856,1052 11.843,1053 0.468,1054 14.496,1055 2.23,1056 8.906,1057 11.382,1059 17.448,1060 8.647,1061 13.293,1062 0.43,1063 16.318,1064 1.199,1065 10.178,1066 13.05,1067 0.47,1068 19.929,1069 9.889,1070 3.24,1071 0.03,1072 18.155,1073 0.627,1074 11.18,1075 14.407,1077 22.215,1078 10.857,1079 3.048,1080 11.154,1081 20.004,1082 0.082,1083 12.369,1084 15.982,1085 0.367,1086 24.639,1087 12.016,1088 2.698,1089 10.559,1090 21.863,1091 4.643,1092 13.452,1093 17.427,1095 26.986,1096 13.065,1097 2.43,1098 7.969,1099 23.728,1100 4.454,1101 14.613,1102 18.966,1103 0.283,1104 29.39,1105 14.194,1106 2.299,1107 7.724,1108 25.6,1109 3.678,1110 15.733,1111 20.452,1113 31.764,1114 15.28,1115 1.948,1116 7.111,1117 27.477,1118 3.353,1119 16.886,1120 21.977,1121 0.217,1122 34.162,1123 16.4,1124 1.555,1125 5.685,1126 29.359,1127 3.071,1128 18.024,1129 23.481,1131 36.548,1132 17.504,1133 8883,1134 14735,1135 22.076,1136 31.301,1137 48.644,1138 48.852,1139 49.848,1140 48.339,1141 48.403,1142 68.157,1143 2.52,1144 143.135,1145 46.264,1146 5.456,1147 5.274,1148 6.369,1149 5.279,1150 5.24,1151 7.643,1152 1.72,1153 18.398,1154 5.122,1155 9.779,1156 1.52,1157 1.527,1158 1.558,1159 1.511,1160 1.513,1161 2.13,1162 0.079,1163 4.473,1164 1.446,1165 4.158,1166 4.203,1167 4.135,1168 4.036,1169 5.176,1170 4.053,1171 4.022,1172 4.072,1173 3.991,1174 3.879,1175 5.051,1176 3.9,1177 3.886,1178 3.915,1179 3.831,1180 3.787,1181 4.868,1182 3.796,1183 3.425,1184 3.505,1185 3.366,1186 3.19,1187 4.589,1188 3.22,1189 3.32,1190 3.392,1191 3.221,1192 3.102,1193 4.414,1194 3.121,1195 3.24,1196 3.308,1197 3.086,1198 2.984,1199 4.323,1200 2.998,1201 3.084,1202 3.147,1203 2.975,1204 2.927,1205 4.054,1206 2.927,1207 2.963,1208 3.058,1209 2.771,1210 2.776,1211 3.744,1212 2.764,1213 0.146,1214 0.102,1215 0.212,1216 0.131,1217 0.101,1218 4.677,1219 0.145,1220 3.274,1221 0.027,1222 6.777,1223 0.349,1224 4.2,1225 0.098,1226 3.24,1227 4.643,1228 0.86,1229 11.154,1230 3.122,1231 1.979,1232 1.955,1233 2.042,1234 2.089,1235 1.184,1236 2.072,1237 1.886,1238 1.861,1239 1.988,1240 1.989,1241 1.074,1242 1.99,1243 1.739,1244 1.706,1245 1.81,1246 1.894,1247 0.935,1248 1.874,1249 1.437,1250 1.345,1251 1.659,1252 1.735,1253 0.688,1254 1.711,1255 1.314,1256 1.238,1257 1.569,1258 1.628,1259 0.573,1260 1.583,1261 1.198,1262 1.126,1263 1.455,1264 1.512,1265 0.421,1266 1.53,1267 1.03,1268 0.979,1269 1.225,1270 1.214,1271 0.301,1272 1.22,1273 0.967,1274 0.894,1275 1.19,1276 1.189,1277 0.228,1278 1.207,1279 4.174,1281 5.517,1282 3.045,1283 7.059,1284 5.352,1285 8.693,1286 7.413,1287 10.378,1289 3.514,1296 3.379,1297 5.317,1305 30.499,1306 71.556,1307 173.443,1308 211.972,1309 233.624,1310 237.624,1311 237.624,1312 31.131,1313 8.045,1314 93.54,1315 93.54,1316 28,1317 12.79,1318 4.755,1319 3.807,1320 37.394,1321 98,1322 108,1323 0.186,1324 185.005,1325 295.01,1326 443.173,1327 35201,1329 19.087,1330 0.682,1331 0.548,1332 19.087,1333 15.34,1334 13.725,1335 0.429,1336 0.274,1337 8.596,1338 13.076,1339 8.374,1340 6.976,1341 13.725,1342 8.76,1343 12.366,1344 0.269,1345 0.139,1346 12.366,1347 6.395,1348 11.113,1349 0.171,1350 0.072,1351 11.113,1352 4.65,1353 9.746,1354 0.108,1355 0.036,1356 9.746,1357 3.239,1358 7.81,1359 0.069,1360 0.019,1361 7.81,1362 2.098,1363 0.285,1364 86.756,1365 0.213,1366 26.177,1367 0.538,1368 156,1369 454.627,1370 172.117,1371 444.461,1372 631.55,1373 420,1374 189,1375 493.994,1376 206.867,1377 500.785,1378 733.74,1379 470,1380 8.854}
{0 CHEMBL1257187,1 1.608,2 9.586,3 3.09,4 9.545,5 110.175,6 8.223,7 0.788,8 4.004,9 4.133,10 3.662,11 3.511,12 5.203,13 3.531,14 4.479,15 4.643,16 4.037,17 3.893,18 5.635,19 3.906,20 4.619,21 4.792,22 4.081,23 3.985,24 5.764,25 3.981,26 4.713,27 4.915,28 4.056,29 3.992,30 5.837,31 3.966,32 4.701,33 4.924,34 3.997,35 3.963,36 5.803,37 3.927,38 4.669,39 4.878,40 4.003,41 3.979,42 5.744,43 3.953,44 4.706,45 4.918,46 4.04,47 4,48 5.769,49 3.964,50 4.708,51 4.917,52 3.926,53 3.95,54 5.831,55 3.895,56 0.128,57 0.809,58 8.196,59 3.468,60 10.664,61 4.254,62 0.3,63 1.236,64 15.385,65 5.744,66 21.414,67 7.256,68 0.29,69 1.404,70 17.593,71 6.356,72 23.407,73 8.226,74 0.432,75 1.487,76 20.767,77 6.995,78 31.9,79 9.467,80 0.446,81 1.43,82 22.127,83 7.331,84 40.123,85 10.077,86 0.375,87 1.416,88 20.332,89 6.484,90 30.92,91 8.87,92 0.376,93 1.445,94 21.423,95 7.74,96 25.402,97 10.548,98 0.509,99 1.395,100 21.418,101 7.245,102 36.527,103 9.771,104 11,105 48,106 0.268,107 0.659,108 0.808,109 0.878,110 0.885,111 0.885,112 3.409,113 0.816,114 -4.91,115 -4.82,116 -4.52,119 42.6,124 2,142 7,143 3,144 2,145 1,147 2,149 1,152 1,161 1,163 1,164 1,165 1,166 1,168 1,172 6,174 2,175 9,177 1,178 2,180 6,183 7,185 1,186 1,187 7,191 1,192 4,194 1,195 3,197 1,198 2,199 8,202 4,204 5,207 3,209 2,211 2,212 6,214 2,215 4,217 3,220 3,222 1,223 1,224 11,229 1,232 4,236 1,237 6,239 1,240 3,241 2,242 3,244 1,245 6,247 1,249 4,250 5,252 1,253 2,258 5,263 4,268 4,271 5,273 2,275 1262,276 19.972,277 19.972,278 19.972,279 19.972,280 19.972,281 16.935,282 20.125,283 11.51,284 20.489,285 16.242,286 16.242,287 16.242,288 16.242,289 16.242,290 11.607,291 28.856,292 5.383,293 17.012,294 3.947,295 1.599,296 0.706,297 0.287,298 0.245,299 0.245,300 4.12,304 1,305 1,306 619,307 2.739,310 113.769,311 214.469,314 205.445,318 1.463,319 22.362,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 63,331 278,332 4.708,333 3.302,334 6.897,335 4.241,336 3.273,337 4.679,338 0.86,339 11.552,340 3.176,341 4.573,342 3.157,343 6.691,344 4.079,345 3.114,346 4.534,347 0.4,348 10.812,349 2.996,350 4.077,351 2.915,352 5.851,353 3.656,354 2.698,355 3.678,357 8.023,358 2.584,359 3.863,360 2.579,361 5.735,362 3.427,363 2.476,364 3.373,366 7.936,367 2.355,368 3.661,369 2.472,370 5.493,371 3.244,372 2.308,373 3.074,375 7.116,376 2.153,377 3.344,378 2.139,379 4.954,380 2.895,381 1.949,382 2.703,384 5.685,385 1.836,386 3.297,387 1.983,388 4.944,389 2.871,390 1.913,391 2.557,393 5.407,394 1.829,395 3.047,396 1.55,397 4.558,398 2.5,399 1.548,400 2.32,402 4.415,403 1.471,404 2.744,405 1.447,406 4.346,407 2.282,408 1.328,409 1.846,411 3.776,412 1.263,413 2.676,414 1.277,415 3.889,416 2.184,417 1.209,418 1.757,420 2.804,421 1.175,422 2.634,423 1.192,424 3.74,425 2.142,426 1.163,427 1.696,428 2.723,429 1.136,430 2.423,431 1.02,432 3.492,433 1.932,434 0.987,435 1.392,436 2.524,437 0.931,438 2.131,439 0.936,440 3.31,441 1.641,442 0.672,443 0.968,445 1.65,446 0.65,447 1.584,448 0.704,449 2.962,450 1.294,451 0.43,452 0.482,454 0.627,455 0.368,456 1.346,457 0.174,458 2.695,459 0.959,460 0.03,461 0.039,463 0.083,464 0.028,465 13.533,466 0.467,467 0.709,468 0.024,469 43.5,470 1.5,471 23.5,472 0.81,473 20,474 0.69,475 20.172,476 0.696,477 29.667,478 0.631,479 33.375,480 1.151,481 8.777,482 0.303,483 5.359,484 0.185,485 0.103,487 0.399,493 0.935,494 1.186,495 0.712,496 0.953,497 1.055,498 0.816,499 1.079,500 1.054,501 0.722,502 0.825,503 0.785,504 0.738,505 1.117,506 1.281,507 0.929,508 1.057,509 0.966,510 0.975,511 0.943,512 1.145,513 1.019,514 1.078,515 1.015,516 1.06,517 0.913,518 0.944,519 0.923,520 0.907,521 0.919,522 0.914,523 1.086,524 1.073,525 1.006,526 0.899,527 1.058,528 0.912,529 0.767,530 0.999,531 0.869,532 1.024,533 0.719,534 0.974,535 0.99,536 1.02,537 1.179,538 1.128,539 0.987,540 1.175,541 5.5,542 0.103,543 3.333,544 2.354,545 1.51,546 0.948,547 0.732,548 0.577,549 0.368,550 0.187,551 10329,552 28336,553 2.171,554 38.3,556 13,558 1,559 4,564 1.726,565 2.047,566 3.235,567 1.697,568 1,569 1,573 75.568,574 1.608,575 3.955,576 4.849,577 5.267,578 5.31,579 5.31,580 2.682,581 4.651,582 4.831,583 3.402,584 1381.24,585 8.451,586 18077.3,588 1,590 1,591 261.066,592 1.361,593 4.797,594 0.167,595 0.006,596 0.069,597 0.048,598 0.033,599 0.022,600 0.016,601 0.013,602 0.009,603 0.008,604 0.391,606 0.88,607 0.674,608 144.281,609 -0.031,610 -0.017,611 0.05,612 0.006,613 -0.194,614 0.038,615 -0.024,616 0.038,617 0.136,618 0.139,619 0.074,620 0.155,621 -0.141,622 -0.191,623 -0.068,624 -0.107,625 -0.067,626 -0.082,627 0.023,628 -0.084,629 -0.103,630 -0.145,631 -0.05,632 -0.149,633 0.029,634 0.071,635 0.038,636 0.051,637 0.094,638 0.042,639 -0.179,640 -0.014,641 -0.088,642 0.042,643 -0.177,644 0.012,645 0.111,646 0.015,647 0.066,648 -0.044,649 0.107,650 -0.008,651 0.045,652 -0.001,653 -0.234,654 -0.174,655 0.011,656 -0.239,657 1.258,658 2.085,659 0.828,660 23.603,661 1.012,662 1.133,663 3.683,664 13.562,665 0.687,666 3.526,667 3.892,668 4.234,669 4.564,670 4.796,671 4.927,672 5.153,673 5.357,674 5.464,675 5.572,676 5.96,677 0.671,678 386.46,679 3.526,680 5.094,681 5.979,682 6.887,683 7.788,684 8.701,685 9.609,686 10.525,687 11.437,688 12.356,689 17,693 1,697 3,699 4,703 4,704 8,705 4,706 1,709 6,710 1,711 26,722 1,724 1,729 1,731 47,733 26,734 2,735 33,737 51,738 20,739 18,740 5,741 7,746 5,747 7,761 18,762 2,778 1,781 18,782 7,783 4,784 9,790 8,794 0.6,795 1,803 2,806 1,811 2,812 3,815 2,840 3,844 2,848 29,849 1,855 1,856 1,870 2.1,875 1,877 14.167,878 9.167,879 6.278,880 2.539,881 4.938,882 1.606,883 1.06,884 4.249,885 13.09,886 3.85,887 4.564,888 5.27,889 5.958,890 6.516,891 6.937,892 7.486,893 8.028,894 8.414,895 8.872,896 1,897 49,898 10.614,900 4.564,901 7.678,902 20.133,904 16.548,905 2.178,906 63.167,909 1,910 164.795,911 121.835,912 136.245,914 11,917 121.835,918 175.795,919 136.245,920 19.279,922 99.231,923 80.383,924 75.157,925 6.8,926 153.024,928 164.795,929 258.08,930 11,933 167.123,934 11,937 47.213,938 141.642,939 66.897,941 164.795,942 147.244,943 121.835,946 164.795,947 27.175,948 96.437,949 34.674,950 110.794,951 164.795,952 147.244,953 121.835,955 0.588,956 0.359,957 0.203,958 0.108,959 26,960 11,961 0.078,962 4,963 2,964 1.167,965 3.981,966 277.978,967 0.167,968 24,969 140.881,974 17.764,975 6.937,976 3.037,977 3.142,978 128.805,979 15.159,980 17.986,981 2.931,984 3.982,985 1.718,986 67.571,987 433.875,988 46,999 47.56,1000 53.272,1001 0.289,1002 0.712,1003 0.873,1004 0.948,1005 0.956,1006 0.956,1007 5.091,1008 1.548,1009 5.979,1010 5.407,1011 4.575,1012 5.252,1013 1.029,1014 6.843,1015 4.487,1016 6.34,1017 1.328,1018 7.567,1019 4.415,1020 4.205,1021 5.173,1023 7.828,1024 4.076,1025 7.679,1026 1.209,1027 9.254,1028 3.776,1029 6.217,1030 7.607,1031 0.763,1032 10.972,1033 6.053,1034 9.059,1035 1.163,1036 11.001,1037 2.804,1038 6.686,1039 8.394,1041 12.809,1042 6.485,1043 10.471,1044 0.987,1045 12.786,1046 2.723,1047 8.16,1048 10.277,1049 0.597,1050 15.471,1051 7.93,1052 11.909,1053 0.672,1054 14.599,1055 2.524,1056 9.011,1057 11.468,1059 17.656,1060 8.747,1061 13.366,1062 0.43,1063 16.432,1064 1.65,1065 10.281,1066 13.134,1067 0.47,1068 20.16,1069 9.989,1070 3.273,1071 0.03,1072 18.282,1073 0.627,1074 11.305,1075 14.512,1077 22.488,1078 10.981,1079 3.114,1080 11.552,1081 20.143,1082 0.083,1083 12.5,1084 16.091,1085 0.367,1086 24.939,1087 12.148,1088 2.698,1089 10.812,1090 22.015,1091 4.679,1092 13.601,1093 17.553,1095 27.326,1096 13.218,1097 2.476,1098 8.023,1099 23.896,1100 4.534,1101 14.771,1102 19.099,1103 0.283,1104 29.76,1105 14.359,1106 2.308,1107 7.936,1108 25.783,1109 3.678,1110 15.907,1111 20.598,1113 32.171,1114 15.464,1115 1.949,1116 7.116,1117 27.675,1118 3.373,1119 17.071,1120 22.133,1121 0.217,1122 34.601,1123 16.599,1124 1.913,1125 5.685,1126 29.573,1127 3.074,1128 18.223,1129 23.649,1131 37.023,1132 17.721,1133 9612,1134 16081,1135 22.482,1136 32.307,1137 50.494,1138 50.674,1139 52.273,1140 50.15,1141 50.199,1142 70.192,1143 2.52,1144 150.266,1145 47.903,1146 5.487,1147 5.302,1148 6.49,1149 5.32,1150 5.273,1151 7.679,1152 1.72,1153 18.855,1154 5.176,1155 12.161,1156 1.53,1157 1.536,1158 1.584,1159 1.52,1160 1.521,1161 2.127,1162 0.076,1163 4.554,1164 1.452,1165 4.162,1166 4.207,1167 4.141,1168 4.038,1169 5.261,1170 4.057,1171 4.026,1172 4.077,1173 3.999,1174 3.88,1175 5.125,1176 3.902,1177 3.886,1178 3.915,1179 3.831,1180 3.787,1181 4.868,1182 3.796,1183 3.437,1184 3.516,1185 3.378,1186 3.208,1187 4.746,1188 3.238,1189 3.337,1190 3.412,1191 3.243,1192 3.109,1193 4.57,1194 3.133,1195 3.244,1196 3.312,1197 3.095,1198 2.986,1199 4.405,1200 3.001,1201 3.101,1202 3.175,1203 2.986,1204 2.929,1205 4.285,1206 2.931,1207 2.963,1208 3.058,1209 2.775,1210 2.776,1211 4.05,1212 2.764,1213 0.143,1214 0.1,1215 0.209,1216 0.129,1217 0.099,1218 4.708,1219 0.142,1220 3.302,1221 0.026,1222 6.897,1223 0.35,1224 4.241,1225 0.096,1226 3.273,1227 4.679,1228 0.86,1229 11.552,1230 3.176,1231 1.979,1232 1.955,1233 2.04,1234 2.09,1235 1.185,1236 2.073,1237 1.886,1238 1.861,1239 1.988,1240 1.99,1241 1.074,1242 1.99,1243 1.739,1244 1.706,1245 1.81,1246 1.894,1247 0.935,1248 1.874,1249 1.437,1250 1.345,1251 1.659,1252 1.736,1253 0.688,1254 1.711,1255 1.352,1256 1.272,1257 1.569,1258 1.687,1259 0.573,1260 1.637,1261 1.198,1262 1.126,1263 1.486,1264 1.513,1265 0.397,1266 1.53,1267 1.064,1268 1.005,1269 1.262,1270 1.312,1271 0.292,1272 1.308,1273 0.968,1274 0.895,1275 1.19,1276 1.21,1277 0.228,1278 1.217,1279 4.205,1281 5.557,1282 3.045,1283 7.106,1284 5.416,1285 8.747,1286 7.516,1287 10.439,1289 3.485,1293 6.085,1296 3.362,1297 5.316,1305 31.52,1306 75.568,1307 185.904,1308 227.904,1309 247.556,1310 249.556,1311 249.556,1312 35.381,1313 8.151,1314 119.56,1315 119.56,1316 28,1317 12.866,1318 4.755,1319 3.807,1320 39.314,1321 104,1322 114,1323 0.187,1324 191.8,1325 306.01,1326 459.751,1327 39979,1329 19.957,1330 0.688,1331 0.546,1332 19.957,1333 15.84,1334 14.135,1335 0.428,1336 0.272,1337 8.803,1338 13.459,1339 8.581,1340 7.147,1341 14.135,1342 8.976,1343 12.903,1344 0.269,1345 0.137,1346 12.903,1347 6.595,1348 11.533,1349 0.17,1350 0.07,1351 11.533,1352 4.783,1353 10.136,1354 0.107,1355 0.035,1356 10.136,1357 3.36,1358 8.261,1359 0.069,1360 0.018,1361 8.261,1362 2.191,1363 0.285,1364 89.463,1365 0.211,1366 26.899,1367 0.539,1368 162,1369 471.939,1370 179.532,1371 462.806,1372 657.12,1373 436,1374 197,1375 516.191,1376 216.227,1377 522.999,1378 768.01,1379 491,1380 7.959}
{0 CHEMBL1257304,1 1.623,2 9.586,3 3.59,4 12.886,5 107.507,6 8.222,7 0.788,8 3.999,9 4.108,10 3.666,11 3.526,12 5.186,13 3.541,14 4.489,15 4.647,16 4.038,17 3.896,18 5.617,19 3.91,20 4.612,21 4.774,22 4.08,23 3.983,24 5.746,25 3.985,26 4.709,27 4.893,28 4.054,29 3.999,30 5.818,31 3.976,32 4.683,33 4.885,34 3.995,35 3.978,36 5.76,37 3.941,38 4.685,39 4.89,40 4.005,41 3.999,42 5.737,43 3.968,44 4.715,45 4.918,46 4.04,47 4.011,48 5.752,49 3.975,50 4.709,51 4.902,52 3.926,53 3.965,54 5.802,55 3.912,56 0.125,57 0.752,58 7.976,59 3.807,60 8.703,61 4.531,62 0.284,63 1.181,64 15.842,65 6.156,66 18.877,67 7.519,68 0.295,69 1.339,70 17.576,71 6.564,72 23.239,73 7.992,74 0.474,75 1.441,76 20.752,77 7.457,78 31.856,79 9.332,80 0.434,81 1.39,82 21.081,83 7.5,84 33.033,85 9.924,86 0.374,87 1.413,88 20.782,89 7.029,90 29.571,91 9.296,92 0.392,93 1.416,94 21.783,95 8.034,96 24.149,97 10.741,98 0.518,99 1.351,100 21.417,101 7.799,102 34.05,103 9.963,104 11,105 48,106 0.27,107 0.656,108 0.798,109 0.868,110 0.875,111 0.875,112 3.409,113 0.827,114 -5.06,115 -4.96,116 -4.65,119 44.7,120 1,124 2,142 7,143 3,144 2,145 1,146 1,147 1,149 1,152 1,161 1,166 2,172 6,174 2,175 12,178 1,180 3,183 8,186 1,187 10,192 1,195 4,198 2,199 9,202 4,204 2,207 5,211 4,212 8,217 2,220 4,223 1,224 11,229 1,232 4,236 2,237 8,240 2,242 2,245 7,249 5,250 6,258 5,263 6,271 7,275 1262,276 19.972,277 19.972,278 19.972,279 19.972,280 19.972,281 16.935,282 19.388,283 11.51,284 20.436,285 16.242,286 16.242,287 16.242,288 16.242,289 16.242,290 11.607,291 27.827,292 5.383,293 16.923,294 3.932,295 1.621,296 0.764,297 0.346,298 0.304,299 0.304,300 4.12,303 1,304 1,305 1,306 619,307 2.739,310 113.769,311 214.469,314 205.445,318 1.463,319 21.266,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 278,332 4.708,333 3.309,334 6.897,335 4.247,336 3.273,337 4.679,338 0.86,339 11.552,340 3.201,341 4.573,342 3.168,343 6.691,344 4.084,345 3.114,346 4.534,347 0.4,348 10.812,349 3.004,350 4.077,351 2.915,352 5.851,353 3.656,354 2.698,355 3.678,357 8.023,358 2.584,359 3.863,360 2.581,361 5.735,362 3.436,363 2.476,364 3.373,366 7.936,367 2.379,368 3.661,369 2.486,370 5.493,371 3.245,372 2.308,373 3.074,375 7.116,376 2.155,377 3.344,378 2.141,379 4.954,380 2.899,381 1.949,382 2.703,384 5.685,385 1.879,386 3.297,387 2.038,388 4.944,389 2.892,390 1.913,391 2.557,393 5.407,394 1.834,395 3.047,396 1.55,397 4.558,398 2.509,399 1.548,400 2.32,402 4.415,403 1.484,404 2.744,405 1.447,406 4.346,407 2.282,408 1.328,409 1.846,411 3.776,412 1.264,413 2.676,414 1.278,415 3.889,416 2.185,417 1.209,418 1.757,420 2.804,421 1.177,422 2.634,423 1.21,424 3.74,425 2.147,426 1.163,427 1.696,428 2.723,429 1.143,430 2.423,431 1.02,432 3.492,433 1.935,434 0.987,435 1.392,436 2.524,437 0.934,438 2.131,439 0.936,440 3.31,441 1.655,442 0.672,443 0.968,445 1.65,446 0.66,447 1.584,448 0.724,449 2.962,450 1.294,451 0.43,452 0.482,454 0.627,455 0.368,456 1.346,457 0.174,458 2.695,459 0.959,460 0.03,461 0.039,463 0.083,464 0.028,465 13.567,466 0.468,467 0.709,468 0.024,469 43,470 1.483,471 23,472 0.793,473 20,474 0.69,475 20.98,476 0.723,477 29.633,478 0.63,479 32.566,480 1.123,481 8.681,482 0.299,483 5.454,484 0.188,485 0.111,487 0.398,493 0.759,494 1.233,495 0.67,496 1.036,497 0.791,498 0.874,499 1.054,500 1.033,501 0.686,502 0.814,503 0.836,504 0.708,505 1.186,506 1.241,507 0.937,508 1.002,509 1.088,510 0.928,511 1.08,512 1.082,513 1.057,514 1.03,515 1.135,516 1.039,517 0.859,518 1.078,519 0.949,520 0.958,521 0.898,522 0.963,523 0.962,524 1.04,525 0.994,526 0.892,527 1.034,528 0.91,529 0.742,530 1.055,531 0.86,532 0.997,533 0.738,534 0.951,535 1.003,536 0.979,537 1.178,538 1.113,539 0.996,540 1.162,541 5.5,542 0.103,543 3.333,544 2.354,545 1.51,546 0.948,547 0.732,548 0.577,549 0.368,550 0.187,551 10329,552 28276,553 2.171,554 38.3,556 13,558 1,559 1,560 3,564 1.726,565 2.047,566 3.235,567 -0.302,569 1,573 76.259,574 1.623,575 3.934,576 4.79,577 5.209,578 5.251,579 5.251,580 2.682,581 4.651,582 4.831,583 3.402,584 1381.24,585 8.451,586 18077.3,588 1,590 1,591 261.066,592 1.361,593 4.797,594 0.167,595 0.006,596 0.069,597 0.048,598 0.033,599 0.022,600 0.016,601 0.013,602 0.009,603 0.008,604 0.391,605 0.17,606 0.88,607 0.674,608 144.281,609 0.1,610 -0.111,611 0.082,612 -0.072,613 -0.023,614 -0.015,615 -0.031,616 0.037,617 0.187,618 0.14,619 0.081,620 0.189,621 -0.182,622 -0.152,623 -0.07,624 -0.07,625 -0.114,626 -0.051,627 -0.034,628 -0.019,629 -0.137,630 -0.102,631 -0.102,632 -0.142,633 0.026,634 -0.041,635 -0.012,636 -0.007,637 0.057,638 -0.019,639 -0.134,640 0.034,641 -0.074,642 0.038,643 -0.154,644 0.014,645 0.103,646 -0.037,647 0.08,648 -0.03,649 0.107,650 0.013,651 0.04,652 0.035,653 -0.233,654 -0.156,655 -0.003,656 -0.226,657 1.094,658 1.906,659 0.828,660 23.603,661 1.012,662 1.126,663 3.833,664 14.689,665 0.692,666 3.526,667 3.892,668 4.234,669 4.564,670 4.796,671 4.927,672 5.153,673 5.357,674 5.464,675 5.572,676 5.96,677 0.675,678 386.45,679 3.526,680 5.094,681 5.979,682 6.887,683 7.788,684 8.701,685 9.609,686 10.525,687 11.437,688 12.356,689 12.8,697 2,699 4,703 4,704 8,705 4,707 1,709 6,710 1,711 26,724 1,729 1,731 47,733 26,734 2,735 33,737 51,738 21,739 18,740 5,741 7,746 5,747 7,752 1,761 18,762 3,778 1,781 18,782 7,783 1,784 8,789 1,790 6,794 0.6,795 2,803 1,806 1,811 2,812 3,815 2,840 3,844 3,848 29,855 1,856 1,870 4.3,875 2,877 14.167,878 9.75,879 6.278,880 2.668,881 4.938,882 1.606,883 1.035,884 4.271,885 13.09,886 3.85,887 4.564,888 5.27,889 5.958,890 6.516,891 6.937,892 7.486,893 8.028,894 8.414,895 8.872,896 1,897 49,898 10.625,900 4.541,901 7.644,902 20.242,904 16.577,905 2.144,906 62.167,909 1,910 200.109,911 133.782,912 89.618,914 20.734,917 133.782,918 220.843,919 89.618,920 28.105,922 66.334,923 83.317,924 70.985,925 7.164,926 188.338,928 200.109,929 223.4,930 20.734,933 202.437,934 20.734,937 42.132,938 109.109,939 69.831,941 200.109,942 110.352,943 133.782,946 200.109,947 30.296,948 105.262,949 18.011,950 90.565,951 200.109,952 110.352,953 133.782,955 0.588,956 0.359,957 0.203,958 0.108,959 26,960 11,961 0.078,962 4,963 2,964 1.167,965 3.981,966 277.978,967 0.167,968 24,969 140.881,974 17.801,975 6.959,976 3.049,977 3.164,978 108.575,979 15.208,980 18.026,982 5.406,984 4.514,985 1.734,986 18.011,987 444.242,988 46,999 47.567,1000 52.9,1001 0.292,1002 0.708,1003 0.862,1004 0.938,1005 0.945,1006 0.945,1007 5.091,1008 1.548,1009 5.979,1010 5.407,1011 4.575,1012 5.252,1013 1.029,1014 6.843,1015 4.498,1016 6.34,1017 1.328,1018 7.567,1019 4.415,1020 4.205,1021 5.173,1023 7.828,1024 4.095,1025 7.679,1026 1.209,1027 9.254,1028 3.776,1029 6.217,1030 7.607,1031 0.763,1032 10.972,1033 6.074,1034 9.059,1035 1.163,1036 11.001,1037 2.804,1038 6.686,1039 8.394,1041 12.809,1042 6.514,1043 10.471,1044 0.987,1045 12.786,1046 2.723,1047 8.16,1048 10.277,1049 0.597,1050 15.471,1051 7.962,1052 11.909,1053 0.672,1054 14.599,1055 2.524,1056 9.011,1057 11.468,1059 17.656,1060 8.787,1061 13.366,1062 0.43,1063 16.432,1064 1.65,1065 10.281,1066 13.134,1067 0.47,1068 20.16,1069 10.033,1070 3.273,1071 0.03,1072 18.282,1073 0.627,1074 11.305,1075 14.512,1077 22.488,1078 11.033,1079 3.114,1080 11.552,1081 20.143,1082 0.083,1083 12.5,1084 16.091,1085 0.367,1086 24.939,1087 12.205,1088 2.698,1089 10.812,1090 22.015,1091 4.679,1092 13.601,1093 17.553,1095 27.326,1096 13.283,1097 2.476,1098 8.023,1099 23.896,1100 4.534,1101 14.771,1102 19.099,1103 0.283,1104 29.76,1105 14.43,1106 2.308,1107 7.936,1108 25.783,1109 3.678,1110 15.907,1111 20.598,1113 32.171,1114 15.544,1115 1.949,1116 7.116,1117 27.675,1118 3.373,1119 17.071,1120 22.133,1121 0.217,1122 34.601,1123 16.685,1124 1.913,1125 5.685,1126 29.573,1127 3.074,1128 18.223,1129 23.649,1131 37.023,1132 17.815,1133 9612,1134 16079,1135 22.482,1136 32.512,1137 50.494,1138 50.677,1139 52.273,1140 50.124,1141 50.199,1142 70.192,1143 2.52,1144 150.266,1145 48.188,1146 5.487,1147 5.309,1148 6.49,1149 5.326,1150 5.273,1151 7.679,1152 1.72,1153 18.855,1154 5.201,1155 12.161,1156 1.53,1157 1.536,1158 1.584,1159 1.519,1160 1.521,1161 2.127,1162 0.076,1163 4.554,1164 1.46,1165 4.156,1166 4.192,1167 4.137,1168 4.03,1169 5.274,1170 4.05,1171 4.017,1172 4.046,1173 3.992,1174 3.875,1175 5.125,1176 3.897,1177 3.886,1178 3.915,1179 3.831,1180 3.786,1181 4.868,1182 3.795,1183 3.437,1184 3.502,1185 3.372,1186 3.26,1187 4.607,1188 3.266,1189 3.351,1190 3.424,1191 3.249,1192 3.117,1193 4.426,1194 3.147,1195 3.246,1196 3.313,1197 3.097,1198 2.983,1199 4.339,1200 3,1201 3.101,1202 3.158,1203 2.985,1204 2.923,1205 4.058,1206 2.927,1207 2.963,1208 3.058,1209 2.778,1210 2.776,1211 3.92,1212 2.764,1213 0.143,1214 0.1,1215 0.209,1216 0.129,1217 0.099,1218 4.708,1219 0.142,1220 3.309,1221 0.026,1222 6.897,1223 0.35,1224 4.247,1225 0.097,1226 3.273,1227 4.679,1228 0.86,1229 11.552,1230 3.201,1231 1.977,1232 1.957,1233 2.039,1234 2.087,1235 1.192,1236 2.069,1237 1.885,1238 1.861,1239 1.988,1240 1.985,1241 1.075,1242 1.987,1243 1.736,1244 1.706,1245 1.809,1246 1.885,1247 0.935,1248 1.867,1249 1.437,1250 1.367,1251 1.676,1252 1.732,1253 0.723,1254 1.709,1255 1.423,1256 1.345,1257 1.658,1258 1.669,1259 0.687,1260 1.66,1261 1.198,1262 1.127,1263 1.569,1264 1.513,1265 0.573,1266 1.531,1267 1.055,1268 1.014,1269 1.229,1270 1.28,1271 0.276,1272 1.266,1273 0.954,1274 0.886,1275 1.182,1276 1.199,1277 0.228,1278 1.197,1279 4.205,1281 5.557,1282 3.045,1283 7.106,1284 5.416,1285 8.747,1286 7.516,1287 10.439,1289 5.413,1296 3.378,1297 5.323,1305 31.719,1306 76.259,1307 184.885,1308 225.15,1309 244.801,1310 246.801,1311 246.801,1312 34.807,1313 8.151,1314 90.89,1315 90.89,1316 28,1317 12.866,1318 4.755,1319 3.807,1320 39.314,1321 104,1322 114,1323 0.187,1324 191.8,1325 310.1,1326 459.751,1327 39979,1329 19.957,1330 0.688,1331 0.558,1332 19.957,1333 16.171,1334 14.135,1335 0.428,1336 0.276,1337 8.928,1338 13.433,1339 8.65,1340 7.216,1341 14.135,1342 9.1,1343 12.903,1344 0.269,1345 0.14,1346 12.903,1347 6.705,1348 11.533,1349 0.17,1350 0.071,1351 11.533,1352 4.834,1353 10.136,1354 0.107,1355 0.036,1356 10.136,1357 3.405,1358 8.261,1359 0.069,1360 0.019,1361 8.261,1362 2.228,1363 0.285,1364 89.628,1365 0.211,1366 26.899,1367 0.539,1368 162,1369 492.029,1370 180.272,1371 474.709,1372 673.52,1373 448,1374 197,1375 531.918,1376 217.271,1377 534.009,1378 782.47,1379 501,1380 8.77}
{0 CHEMBL1257419,1 1.577,2 8.769,3 1.947,4 3.79,5 100.322,6 7.478,7 0.69,8 3.973,9 4.112,10 3.547,11 3.454,12 5.099,13 3.451,14 4.496,15 4.69,16 3.932,17 3.868,18 5.538,19 3.852,20 4.7,21 4.894,22 3.976,23 3.997,24 5.763,25 3.945,26 4.929,27 5.212,28 3.901,29 3.963,30 5.926,31 3.886,32 4.645,33 4.895,34 3.832,35 3.849,36 5.629,37 3.79,38 4.592,39 4.803,40 3.871,41 3.895,42 5.645,43 3.86,44 4.689,45 4.883,46 3.922,47 3.982,48 5.731,49 3.913,50 4.852,51 5.126,52 3.684,53 3.901,54 5.851,55 3.783,56 0.104,57 0.778,58 9.879,59 3.741,60 11.695,61 5.228,62 0.255,63 1.216,64 18.483,65 6.061,66 26.009,67 8.912,68 0.154,69 1.421,70 22.314,71 7.667,72 23.99,73 11.468,74 0.708,75 1.467,76 33.773,77 8.571,78 70.29,79 13.626,80 0.338,81 1.254,82 23.321,83 6.976,84 32.356,85 10.851,86 0.345,87 1.282,88 20.808,89 5.712,90 31.772,91 8.945,92 0.205,93 1.389,94 22.05,95 8.028,96 19.633,97 11.684,98 0.639,99 1.352,100 30.26,101 7.91,102 58.068,103 12.678,104 21,105 43,106 0.267,107 0.665,108 0.814,109 0.839,110 0.846,111 0.846,112 3.305,113 0.875,114 -4.07,115 -4.01,116 -3.8,119 38.3,120 2,123 1,124 1,125 2,142 3,143 3,145 2,147 1,149 1,152 1,161 1,166 1,168 1,172 6,174 2,175 7,178 1,180 5,183 5,186 1,187 6,192 6,195 2,198 2,199 6,202 3,203 1,204 2,207 2,211 2,212 7,215 2,217 2,220 4,224 6,227 1,229 2,232 2,236 1,237 9,240 2,241 1,242 2,245 5,249 1,250 1,253 4,255 1,258 5,263 1,268 3,271 3,275 932,276 17.455,277 17.455,278 17.455,279 17.455,280 17.455,281 15.187,282 12.146,283 9.854,284 17.77,285 14.208,286 14.208,287 14.208,288 14.208,289 14.208,290 10.747,291 16.705,292 4.555,293 14.763,294 3.978,295 1.627,296 0.745,297 0.601,298 0.559,299 0.559,300 3.998,303 1,304 1,305 1,306 496,307 3.606,310 103.159,311 121.902,314 187.611,318 1.325,319 21.502,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 228,332 4.675,333 3.286,334 6.777,335 4.211,336 3.246,337 4.642,338 0.4,339 11.149,340 3.159,341 4.509,342 3.2,343 6.689,344 4.155,345 3.167,346 4.453,348 10.769,349 3.112,350 4.176,351 3.056,352 6.615,353 4.016,354 3.04,355 3.357,357 10.536,358 2.956,359 3.838,360 2.496,361 5.751,362 3.382,363 2.433,364 3.193,366 7.746,367 2.311,368 3.643,369 2.358,370 5.62,371 3.221,372 2.279,373 3.042,375 7.262,376 2.139,377 3.055,378 1.567,379 4.66,380 2.538,381 1.555,382 2.332,384 4.627,385 1.53,386 3.038,387 1.547,388 4.411,389 2.494,390 1.539,391 2.307,393 3.923,394 1.464,395 2.751,396 1.522,397 4.072,398 2.325,399 1.377,400 1.85,402 3.593,403 1.302,404 2.5,405 1.196,406 3.833,407 2.013,408 1.081,409 1.5,411 2.784,412 1.005,413 2.478,414 1.058,415 3.537,416 1.97,417 1,418 1.47,420 2.231,421 0.968,422 1.957,423 1,424 3.402,425 1.569,426 0.655,427 0.755,428 1.499,429 0.595,430 1.789,431 0.69,432 3.147,433 1.42,434 0.463,435 0.656,436 1.157,437 0.442,438 1.377,439 0.464,440 2.917,441 1.206,442 0.329,443 0.343,445 0.476,446 0.286,447 1.08,448 -0.177,449 2.674,450 0.663,451 -0.278,452 -0.358,454 -0.715,455 -0.26,456 0.82,457 -0.468,458 2.568,459 0.406,460 -0.546,461 -0.694,463 -1.519,464 -0.515,465 12.133,466 0.467,467 0.776,468 0.03,469 34,470 1.308,471 16.5,472 0.635,473 17.5,474 0.673,475 22.15,476 0.852,477 28.067,478 0.597,479 24.826,480 0.955,481 6.534,482 0.251,483 5.948,484 0.229,485 0.151,486 0.041,487 0.321,493 0.895,494 1.324,495 0.795,496 1.083,497 0.964,498 0.951,499 0.953,500 1.048,501 0.75,502 0.814,503 0.863,504 0.758,505 0.856,506 1.532,507 1.011,508 1.397,509 0.722,510 1.253,511 1.267,512 0.74,513 0.921,514 0.655,515 1.423,516 0.729,517 0.8,518 0.987,519 0.806,520 0.872,521 0.684,522 0.839,523 1.262,524 1.011,525 1.115,526 0.856,527 0.938,528 0.92,529 0.737,530 1.41,531 1.075,532 1.46,533 0.71,534 1.347,535 1.128,536 0.807,537 1.224,538 0.947,539 1.005,540 1.065,541 6,542 0.105,543 3.778,544 1.632,545 1.328,546 1.035,547 0.752,548 0.683,549 0.325,550 0.17,551 7283,552 18817,553 2.092,554 44.7,555 6,556 10,558 2,559 3,564 1.698,565 1.938,566 3.102,567 1.012,568 1,569 1,573 74.117,574 1.577,575 3.928,576 4.809,577 4.953,578 4.996,579 4.996,580 2.507,581 4.47,582 4.673,583 3.279,584 1065.79,585 8.134,586 12990.6,588 1,590 1,591 261.066,592 1.619,593 4.616,594 0.207,595 0.009,596 0.088,597 0.039,598 0.035,599 0.028,600 0.019,601 0.018,602 0.012,603 0.011,604 0.465,605 0.33,606 1,607 1.319,608 124.585,609 0.012,610 -0.07,611 0.052,612 -0.01,613 -0.118,614 0.016,615 -0.014,616 0.095,617 0.162,618 0.205,619 -0.012,620 0.208,621 -0.032,622 -0.422,623 -0.114,624 -0.359,625 0.045,626 -0.268,627 -0.03,628 0.163,629 0.129,630 0.255,631 -0.109,632 0.217,633 0.073,634 0.027,635 0.161,636 0.102,637 0.069,638 0.137,639 -0.266,640 0.144,641 -0.186,642 0.094,643 -0.152,644 -0.002,645 0.068,646 -0.304,647 -0.183,648 -0.414,649 0.012,650 -0.356,651 -0.044,652 0.15,653 -0.212,654 -0.033,655 0.011,656 -0.125,657 1.51,658 3.517,659 0.692,660 20.538,661 1.005,662 1.141,663 2.836,664 8.042,665 0.656,666 3.401,667 3.784,668 4.078,669 4.357,670 4.585,671 4.754,672 4.97,673 5.136,674 5.187,675 5.236,676 5.546,677 0.629,678 351.46,679 3.401,680 4.977,681 5.849,682 6.758,683 7.65,684 8.562,685 9.463,686 10.377,687 11.282,688 12.197,689 14.9,694 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,724 1,731 47,733 20,734 1,735 29,737 50,738 18,739 12,740 3,741 3,746 4,747 6,752 3,753 1,761 12,762 6,777 1,778 1,781 21,782 6,783 3,784 8,790 7,794 0.5,795 1,796 1,803 2,806 1,811 2,812 2,815 2,838 1,840 2,844 3,848 26,853 1,854 2,855 1,860 1,870 2.1,871 1,877 13.417,878 9.367,879 5.583,880 2.641,881 4.018,882 1.528,883 0.97,884 4.135,885 11.632,886 3.689,887 4.388,888 5.072,889 5.749,890 6.297,891 6.763,892 7.303,893 7.809,894 8.12,895 8.547,896 0.833,897 42,898 9.565,900 4.091,901 7.689,902 18.296,904 15.172,905 2.189,906 56.917,910 211.88,911 91.523,912 103.347,914 42.683,917 91.523,918 254.563,919 103.347,920 26.047,921 2.106,922 71.112,923 110.165,924 47.194,925 4.472,926 188.338,928 211.88,929 194.87,930 42.683,933 214.208,935 42.683,937 58.006,938 49.629,939 84.908,941 211.88,942 146.031,943 91.523,946 211.88,947 18.952,948 74.347,949 34.674,950 109.58,951 211.88,952 146.031,953 91.523,955 0.597,956 0.352,957 0.179,958 0.094,959 23,960 10,961 0.1,962 5,963 2,964 1.222,965 3.674,966 232.331,967 0.222,968 18,969 120.211,974 16.947,975 6.345,976 3.079,977 3.506,978 127.591,979 9.443,980 17.903,981 2.974,984 2.223,985 1.735,986 77.357,987 449.433,988 39,999 47.225,1000 53.604,1001 0.284,1002 0.707,1003 0.866,1004 0.892,1005 0.899,1006 0.899,1007 4.949,1008 1.377,1009 5.889,1010 3.923,1011 4.466,1012 5.075,1013 0.278,1014 6.777,1015 4.391,1016 6.21,1017 1.081,1018 7.504,1019 3.593,1020 4.29,1021 5.075,1023 7.991,1024 4.217,1025 7.564,1026 1,1027 9.224,1028 2.784,1029 6.188,1030 7.433,1031 0.05,1032 11.005,1033 6.059,1034 8.958,1035 0.655,1036 11.004,1037 2.231,1038 6.815,1039 8.273,1041 12.964,1042 6.685,1043 10.382,1044 0.463,1045 12.82,1046 1.499,1047 8.224,1048 10.115,1049 0.008,1050 15.554,1051 8.053,1052 11.828,1053 0.329,1054 14.66,1055 1.157,1056 9.166,1057 11.332,1059 17.775,1060 8.987,1061 13.29,1062 -0.278,1063 16.515,1064 0.476,1065 10.408,1066 12.976,1067 0.001,1068 20.233,1069 10.198,1070 3.246,1071 -0.546,1072 18.381,1073 -0.715,1074 11.476,1075 14.363,1077 22.553,1078 11.251,1079 3.167,1080 11.149,1081 20.254,1082 -1.519,1083 12.661,1084 15.931,1086 24.966,1087 12.409,1088 3.04,1089 10.769,1090 22.133,1091 4.642,1092 13.78,1093 17.393,1095 27.326,1096 13.509,1097 2.433,1098 10.536,1099 24.017,1100 4.453,1101 14.944,1102 18.93,1104 29.724,1105 14.649,1106 2.279,1107 7.746,1108 25.904,1109 3.357,1110 16.085,1111 20.425,1113 32.1,1114 15.768,1115 1.555,1116 7.262,1117 27.793,1118 3.193,1119 17.244,1120 21.952,1122 34.492,1123 16.903,1124 1.539,1125 4.627,1126 29.685,1127 3.042,1128 18.394,1129 23.461,1131 36.876,1132 18.031,1133 7015,1134 11415,1135 19.186,1136 30.824,1137 44.608,1138 45.033,1139 45.858,1140 44.208,1141 44.328,1142 59.797,1143 0.8,1144 135.503,1145 42.535,1146 5.544,1147 5.286,1148 6.332,1149 5.289,1150 5.246,1151 7.642,1152 0.8,1153 18.391,1154 5.159,1155 13.003,1156 1.538,1157 1.553,1158 1.581,1159 1.524,1160 1.529,1161 2.062,1162 0.028,1163 4.673,1164 1.467,1165 4.156,1166 4.202,1167 4.132,1168 4.033,1169 6.456,1170 4.05,1171 4.018,1172 4.07,1173 3.988,1174 3.861,1175 5.172,1176 3.888,1177 3.776,1178 3.834,1179 3.648,1180 3.64,1181 5.05,1182 3.633,1183 3.425,1184 3.507,1185 3.363,1186 3.19,1187 4.592,1188 3.22,1189 3.315,1190 3.394,1191 3.212,1192 3.099,1193 4.366,1194 3.118,1195 3.111,1196 3.182,1197 3.013,1198 2.945,1199 4.264,1200 2.952,1201 3.011,1202 3.102,1203 2.785,1204 2.745,1205 4.023,1206 2.735,1207 2.969,1208 3.062,1209 2.7,1210 2.644,1211 3.717,1212 2.643,1213 0.161,1214 0.113,1215 0.234,1216 0.145,1217 0.112,1218 4.675,1219 0.16,1220 3.286,1221 0.014,1222 6.777,1223 0.384,1224 4.211,1225 0.109,1226 3.246,1227 4.642,1228 0.4,1229 11.149,1230 3.159,1231 1.976,1232 1.952,1233 2.042,1234 2.086,1235 1.289,1236 2.07,1237 1.811,1238 1.768,1239 1.998,1240 1.963,1241 1.181,1242 1.974,1243 1.715,1244 1.671,1245 1.817,1246 1.887,1247 0.951,1248 1.874,1249 1.438,1250 1.345,1251 1.665,1252 1.737,1253 0.697,1254 1.715,1255 1.314,1256 1.238,1257 1.457,1258 1.629,1259 0.508,1260 1.583,1261 1.03,1262 0.979,1263 1.417,1264 1.341,1265 0.469,1266 1.344,1267 1.018,1268 0.918,1269 1.368,1270 1.295,1271 0.425,1272 1.315,1273 0.954,1274 0.87,1275 1.322,1276 1.239,1277 0.419,1278 1.308,1279 4.078,1281 5.442,1282 3.045,1283 6.995,1284 5.352,1285 8.632,1286 7.413,1287 10.316,1289 5.85,1294 9.517,1295 0.669,1296 3.356,1301 -0.26,1305 29.552,1306 74.117,1307 184.595,1308 226.046,1309 232.801,1310 234.801,1311 234.801,1312 38.746,1313 7.613,1314 104.54,1315 104.54,1316 22,1317 12.711,1318 4.392,1319 3.459,1320 37.74,1321 87,1322 89,1323 0.218,1324 181.996,1325 291.59,1326 435.831,1327 19790,1329 18.311,1330 0.704,1331 0.576,1332 18.311,1333 14.984,1334 12.482,1335 0.43,1336 0.292,1337 8.306,1338 11.912,1339 7.997,1340 6.708,1341 12.482,1342 8.454,1343 11.88,1344 0.276,1345 0.168,1346 11.88,1347 7.214,1348 10.157,1349 0.175,1350 0.077,1351 10.157,1352 4.48,1353 8.144,1354 0.106,1355 0.037,1356 8.144,1357 2.819,1358 6.554,1359 0.068,1360 0.019,1361 6.554,1362 1.849,1363 0.33,1364 78.939,1365 0.228,1366 24.5,1367 0.634,1368 144,1369 397.041,1370 158.345,1371 389.502,1372 546.41,1373 366,1374 173,1375 420.4,1376 189.87,1377 428.328,1378 628.4,1379 400,1380 8.959}
{0 CHEMBL1257420,1 1.476,2 9.444,3 1.683,4 2.832,5 105.856,6 7.398,7 0.645,8 4.024,9 4.169,10 3.609,11 3.515,12 5.072,13 3.509,14 4.583,15 4.788,16 3.985,17 3.939,18 5.552,19 3.916,20 4.797,21 5.024,22 3.999,23 4.071,24 5.722,25 4.005,26 4.897,27 5.167,28 3.941,29 4.046,30 5.794,31 3.952,32 4.762,33 5.033,34 3.88,35 3.94,36 5.659,37 3.866,38 4.653,39 4.867,40 3.92,41 3.962,42 5.612,43 3.916,44 4.768,45 4.997,46 3.931,47 4.02,48 5.693,49 3.946,50 4.801,51 5.057,52 3.735,53 3.972,54 5.689,55 3.853,56 0.07,57 0.846,58 10.449,59 3.819,60 9.742,61 5.56,62 0.241,63 1.344,64 20.353,65 6.181,66 19.152,67 9.495,68 0.216,69 1.545,70 25.942,71 8.184,72 25.906,73 12.672,74 0.408,75 1.562,76 30.706,77 9.235,78 37.511,79 14.478,80 0.347,81 1.385,82 26.891,83 7.912,84 35.279,85 12.5,86 0.251,87 1.388,88 22.093,89 6.38,90 24.526,91 9.976,92 0.298,93 1.487,94 25.298,95 7.896,96 27.15,97 12.127,98 0.399,99 1.421,100 27.266,101 8.358,102 35.4,103 12.854,104 5,105 45,106 0.247,107 0.629,108 0.788,109 0.832,110 0.839,111 0.839,112 3.341,113 0.896,114 -4.3,115 -4.23,116 -4,119 38.8,121 2,124 2,125 2,127 1,142 3,143 3,145 2,147 1,149 1,152 1,161 1,166 1,168 1,172 4,174 2,175 9,178 1,180 5,183 5,186 1,187 6,192 2,195 2,198 2,199 7,202 4,204 2,207 3,211 2,212 5,215 2,217 2,220 2,223 1,224 10,229 1,232 3,236 1,237 3,240 2,241 1,242 2,245 5,249 4,250 2,253 1,258 2,263 4,268 2,271 2,275 1039,276 18.602,277 18.602,278 18.602,279 18.602,280 18.602,281 16.333,282 19.165,283 10.787,284 19.024,285 15.324,286 15.324,287 15.324,288 15.324,289 15.324,290 11.874,291 32.286,292 5.14,293 16.031,294 4.139,295 1.856,296 0.903,297 0.643,298 0.602,299 0.602,300 4.054,303 1,304 1,305 1,306 575,307 2.449,310 104.93,311 197.682,314 189.769,318 1.424,319 17.002,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 255,332 4.676,333 3.273,334 6.777,335 4.2,336 3.239,337 4.642,338 0.8,339 11.154,340 3.122,341 4.509,342 3.066,343 6.62,344 4.024,345 3.048,346 4.453,347 0.4,348 10.559,349 2.965,350 3.847,351 2.841,352 5.759,353 3.589,354 2.639,355 3.357,357 7.813,358 2.508,359 3.733,360 2.559,361 5.696,362 3.377,363 2.426,364 3.093,366 7.667,367 2.308,368 3.51,369 2.406,370 5.334,371 3.22,372 2.288,373 2.57,375 6.717,376 2.129,377 3.058,378 2.125,379 4.883,380 2.912,381 1.971,382 2.332,384 5.612,385 1.846,386 3.047,387 1.555,388 4.658,389 2.538,390 1.555,391 2.307,393 4.626,394 1.53,395 3.035,396 1.539,397 4.352,398 2.494,399 1.538,400 2.069,402 3.779,403 1.464,404 2.721,405 1.407,406 4.068,407 2.257,408 1.311,409 1.81,411 3.591,412 1.237,413 2.5,414 1.077,415 3.774,416 1.984,417 1.004,418 1.5,420 2.622,421 0.983,422 2.409,423 1.044,424 3.414,425 1.97,426 1,427 1.376,428 2.275,429 0.968,430 2,431 1,432 3.403,433 1.941,434 1,435 1,436 2.23,437 0.938,438 1.949,439 0.477,440 3.15,441 1.433,442 0.469,443 0.688,445 1.203,446 0.451,447 1.349,448 0.358,449 2.967,450 1.122,451 0.189,452 0.208,454 0.463,455 0.176,456 1.05,457 -0.12,458 2.6,459 0.685,460 -0.256,461 -0.309,463 -0.629,464 -0.24,465 12.7,466 0.47,467 0.657,468 0.024,469 35.5,470 1.315,471 16.5,472 0.611,473 19,474 0.704,475 22.364,476 0.828,477 28.7,478 0.586,479 25.17,480 0.932,481 6.808,482 0.252,483 6.379,484 0.236,485 0.079,487 0.378,493 0.845,494 1.424,495 0.772,496 1.127,497 0.765,498 0.968,499 1.131,500 1.084,501 0.845,502 0.852,503 0.768,504 0.812,505 1.051,506 1.228,507 0.986,508 1.1,509 0.858,510 1.043,511 0.857,512 0.95,513 0.911,514 0.959,515 0.947,516 0.946,517 0.91,518 0.882,519 0.795,520 0.793,521 0.949,522 0.779,523 1.397,524 1.139,525 1.103,526 0.985,527 1.381,528 0.997,529 1.049,530 1.141,531 1.09,532 1.14,533 1.049,534 1.125,535 1.089,536 0.929,537 1.242,538 1.128,539 1.228,540 1.196,541 5,542 0.069,543 3.333,544 1.632,545 1.35,546 0.823,547 0.71,548 0.51,549 0.262,550 0.158,551 8815,552 19975,553 2.208,554 44.9,556 14,558 2,559 2,562 4,564 1.707,565 2.104,566 3.206,567 0.304,568 1,569 1,573 72.303,574 1.476,575 3.758,576 4.711,577 4.972,578 5.012,579 5.012,580 2.685,581 4.236,582 4.727,583 3.355,584 1177.77,585 8.238,586 14622.6,588 1,590 1,591 275.121,592 1.28,593 4.703,594 0.161,595 0.006,596 0.074,597 0.037,598 0.034,599 0.021,600 0.017,601 0.013,602 0.008,603 0.008,604 0.38,605 0.33,606 0.88,607 0.454,608 131.203,609 0.108,610 -0.172,611 0.089,612 -0.076,613 0.084,614 -0.009,615 -0.037,616 0.057,617 0.088,618 0.129,619 0.144,620 0.128,621 -0.093,622 -0.172,623 -0.044,624 -0.097,625 0.081,626 -0.068,627 0.145,628 0.011,629 0.082,630 0.01,631 0.128,632 0.032,633 0.102,634 0.081,635 0.201,636 0.176,637 0.153,638 0.199,639 -0.276,640 -0.012,641 -0.164,642 -0.02,643 -0.315,644 -0.066,645 -0.028,646 -0.075,647 -0.144,648 -0.157,649 -0.091,650 -0.166,651 -0.07,652 0.077,653 -0.272,654 -0.159,655 -0.193,656 -0.232,657 0.978,658 1.896,659 0.889,660 21.649,661 1,662 1.141,663 3.068,664 9.414,665 0.661,666 3.466,667 3.829,668 4.159,669 4.477,670 4.718,671 4.852,672 5.069,673 5.268,674 5.357,675 5.464,676 5.734,677 0.63,678 362.49,679 3.466,680 5.03,681 5.911,682 6.812,683 7.709,684 8.616,685 9.52,686 10.43,687 11.339,688 12.251,689 16.3,692 1,694 1,697 2,699 4,703 4,704 5,705 4,706 1,709 3,710 1,711 20,724 1,731 49,733 20,734 1,735 31,737 53,738 19,739 12,740 3,741 3,746 5,747 7,755 3,758 3,761 12,762 7,777 1,778 1,781 22,782 6,783 2,784 8,790 8,794 0.6,803 2,806 1,811 2,812 3,815 2,836 1,840 3,844 2,848 27,854 4,855 1,858 1,859 1,877 12.833,878 9.45,879 5.75,880 2.983,881 3.998,882 1.502,883 1.039,884 4.067,885 11.96,886 3.738,887 4.413,888 5.103,889 5.784,890 6.328,891 6.786,892 7.327,893 7.842,894 8.158,895 8.596,896 1,897 44,898 9.958,900 4.296,901 7.5,902 19.492,904 16.547,905 2,906 54,910 235.422,911 89.444,912 106.472,917 89.444,918 235.422,919 106.472,920 16.793,921 9.28,922 28.429,923 110.165,924 50.318,925 4.472,926 211.88,928 235.422,929 195.915,933 190.666,934 47.084,937 50.655,938 58.025,939 84.908,941 235.422,942 106.472,943 89.444,946 235.422,947 26.127,948 68.217,949 34.674,950 66.897,951 235.422,952 106.472,953 89.444,955 0.591,956 0.353,957 0.196,958 0.106,959 25,960 10,961 0.057,962 3,963 2,964 1.167,965 3.884,966 251.235,967 0.167,968 24,969 124.382,974 16.664,975 6.59,976 2.97,977 3.783,978 88.032,979 9.706,980 18.255,981 3.014,984 2.516,985 1.801,986 34.674,987 431.337,988 41,999 49,1000 55.893,1001 0.263,1002 0.669,1003 0.839,1004 0.885,1005 0.893,1006 0.893,1007 4.99,1008 1.538,1009 5.905,1010 4.626,1011 4.511,1012 5.1,1013 0.824,1014 6.753,1015 4.424,1016 6.214,1017 1.311,1018 7.483,1019 3.779,1020 4.111,1021 4.997,1022 0.325,1023 7.703,1024 3.982,1025 7.54,1026 1.004,1027 9.159,1028 3.591,1029 6.138,1030 7.418,1031 0.413,1032 10.839,1033 5.972,1034 8.907,1035 1,1036 10.896,1037 2.622,1038 6.581,1039 8.224,1040 0.268,1041 12.639,1042 6.381,1043 10.311,1044 1,1045 12.671,1046 2.275,1047 8.061,1048 10.092,1049 0.246,1050 15.287,1051 7.828,1052 11.741,1053 0.469,1054 14.474,1055 2.23,1056 8.887,1057 11.304,1058 0.188,1059 17.432,1060 8.624,1061 13.193,1062 0.189,1063 16.297,1064 1.203,1065 10.157,1066 12.96,1067 0.157,1068 19.916,1069 9.861,1070 3.239,1071 -0.256,1072 18.135,1073 0.463,1074 11.16,1075 14.349,1076 0.125,1077 22.205,1078 10.834,1079 3.048,1080 11.154,1081 19.985,1082 -0.629,1083 12.349,1084 15.921,1085 0.102,1086 24.63,1087 11.991,1088 2.639,1089 10.559,1090 21.845,1091 4.642,1092 13.433,1093 17.386,1094 0.082,1095 26.98,1096 13.044,1097 2.426,1098 7.813,1099 23.712,1100 4.453,1101 14.595,1102 18.925,1103 0.067,1104 29.385,1105 14.173,1106 2.288,1107 7.667,1108 25.585,1109 3.357,1110 15.716,1111 20.422,1112 0.054,1113 31.76,1114 15.262,1115 1.971,1116 6.717,1117 27.464,1118 3.093,1119 16.871,1120 21.95,1121 0.043,1122 34.159,1123 16.383,1124 1.555,1125 5.612,1126 29.347,1127 2.57,1128 18.01,1129 23.46,1130 0.035,1131 36.545,1132 17.489,1133 8105,1134 12397,1135 21.383,1136 32.375,1137 47.654,1138 47.29,1139 48.417,1140 47.386,1141 47.349,1142 62.807,1143 2.4,1144 140.624,1145 45.249,1146 5.676,1147 5.273,1148 6.331,1149 5.279,1150 5.239,1151 7.642,1152 1.2,1153 18.398,1154 5.122,1155 9.546,1156 1.537,1157 1.525,1158 1.562,1159 1.529,1160 1.527,1161 2.026,1162 0.077,1163 4.536,1164 1.46,1165 4.158,1166 4.204,1167 4.134,1168 4.034,1169 5.172,1170 4.051,1171 4.02,1172 4.071,1173 3.989,1174 3.864,1175 5.05,1176 3.89,1177 3.845,1178 3.917,1179 3.721,1180 3.678,1181 4.593,1182 3.679,1183 3.432,1184 3.518,1185 3.367,1186 3.191,1187 4.404,1188 3.221,1189 3.341,1190 3.424,1191 3.232,1192 3.115,1193 4.325,1194 3.133,1195 3.225,1196 3.313,1197 3.089,1198 3.023,1199 4.091,1200 3.027,1201 3.111,1202 3.206,1203 2.909,1204 2.941,1205 3.801,1206 2.91,1207 3.061,1208 3.132,1209 2.866,1210 2.901,1211 3.661,1212 2.892,1213 0.151,1214 0.106,1215 0.219,1216 0.135,1217 0.104,1218 4.676,1219 0.15,1220 3.273,1221 0.026,1222 6.777,1223 0.36,1224 4.2,1225 0.101,1226 3.239,1227 4.642,1228 0.8,1229 11.154,1230 3.122,1231 1.977,1232 1.953,1233 2.058,1234 2.094,1235 1.402,1236 2.081,1237 1.848,1238 1.794,1239 2.026,1240 2.016,1241 1.182,1242 2.024,1243 1.731,1244 1.685,1245 1.817,1246 1.903,1247 0.953,1248 1.883,1249 1.439,1250 1.346,1251 1.667,1252 1.743,1253 0.825,1254 1.719,1255 1.315,1256 1.238,1257 1.582,1258 1.631,1259 0.744,1260 1.587,1261 1.247,1262 1.149,1263 1.513,1264 1.514,1265 0.676,1266 1.537,1267 1.153,1268 1.064,1269 1.454,1270 1.376,1271 0.422,1272 1.429,1273 1.03,1274 0.979,1275 1.225,1276 1.212,1277 0.386,1278 1.219,1279 4.143,1281 5.493,1282 3.045,1283 7.036,1284 5.352,1285 8.67,1286 7.413,1287 10.354,1289 4.084,1295 4.407,1296 3.655,1299 0.414,1300 2.364,1305 30.859,1306 72.303,1307 184.153,1308 230.856,1309 243.611,1310 245.611,1311 245.611,1312 31.738,1313 7.962,1314 87.55,1315 87.55,1316 28,1317 12.765,1318 4.392,1319 3.459,1320 35.519,1321 93,1322 106,1323 0.189,1324 186.993,1325 298.74,1326 448.023,1327 31576,1329 18.38,1330 0.681,1331 0.573,1332 18.38,1333 15.476,1334 13.187,1335 0.425,1336 0.299,1337 9.101,1338 12.582,1339 8.87,1340 7.352,1341 13.187,1342 9.261,1343 12.185,1344 0.271,1345 0.161,1346 12.185,1347 7.26,1348 10.779,1349 0.171,1350 0.085,1351 10.779,1352 5.377,1353 9.324,1354 0.107,1355 0.043,1356 9.324,1357 3.762,1358 7.679,1359 0.069,1360 0.024,1361 7.679,1362 2.655,1363 0.288,1364 83.109,1365 0.216,1366 25.396,1367 0.545,1368 152,1369 392.536,1370 166.987,1371 387.055,1372 552.99,1373 366,1374 184,1375 435.927,1376 201.374,1377 441.622,1378 650.18,1379 415,1380 8.081}
{0 CHEMBL1257534,1 1.776,2 10.433,3 2.839,4 8.062,5 112.452,6 8.926,7 0.765,8 4.003,9 4.108,10 3.86,11 3.601,12 5.16,13 3.581,14 4.509,15 4.649,16 4.163,17 3.98,18 5.846,19 3.969,20 4.686,21 4.844,22 4.164,23 4.062,24 5.935,25 4.034,26 4.736,27 4.925,28 4.092,29 4.024,30 5.954,31 3.985,32 4.682,33 4.903,34 3.984,35 3.938,36 5.798,37 3.896,38 4.568,39 4.759,40 4.005,41 3.939,42 5.694,43 3.906,44 4.64,45 4.832,46 4.035,47 3.985,48 5.749,49 3.936,50 4.664,51 4.877,52 3.956,53 3.963,54 5.803,55 3.87,56 0.155,57 0.818,58 9.032,59 4.221,60 15.874,61 4.262,62 0.373,63 1.281,64 17.217,65 6.921,66 48.599,67 7.448,68 0.424,69 1.451,70 19.916,71 7.924,72 50.585,73 8.421,74 0.501,75 1.508,76 21.842,77 8.207,78 48.804,79 9.39,80 0.508,81 1.389,82 21.936,83 7.66,84 54.732,85 9.71,86 0.386,87 1.317,88 17.436,89 6.532,90 31.683,91 7.992,92 0.424,93 1.4,94 18.238,95 7.157,96 33.622,97 8.642,98 0.45,99 1.363,100 20.585,101 8.224,102 41.108,103 10.198,104 18,105 51,106 0.294,107 0.653,108 0.781,109 0.843,110 0.85,111 0.85,112 3.441,113 0.969,114 -4.77,115 -4.68,116 -4.4,119 42.6,124 2,142 7,143 3,144 2,145 2,147 1,149 1,152 1,161 1,166 1,168 1,172 6,174 3,175 7,178 1,180 5,183 6,186 1,187 10,192 4,195 4,198 2,199 11,202 3,204 2,207 3,211 2,212 7,215 2,217 2,220 4,224 9,227 2,229 1,232 3,236 1,237 9,240 2,241 1,242 2,245 7,249 3,250 3,253 1,258 6,263 2,268 2,271 4,275 1498,276 20.074,277 20.074,278 20.074,279 20.074,280 20.074,281 16.781,282 15.801,283 11.418,284 20.624,285 16.799,286 16.799,287 16.799,288 16.799,289 16.799,290 11.769,291 22.484,292 5.408,293 17.765,294 3.778,295 1.61,296 0.833,297 0.458,298 0.415,299 0.415,300 4.147,304 1,305 1,306 695,307 3.464,310 123.191,311 233.103,314 223.795,318 1.596,319 33.033,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 65.5,331 313,332 4.801,333 5.18,334 7.111,335 4.203,336 3.314,337 4.661,338 2.95,339 11.657,340 3.122,341 4.677,342 3.273,343 6.777,344 4.176,345 3.238,346 4.642,347 0.4,348 11.154,349 2.966,350 4.51,351 3.065,352 6.62,353 4.023,354 3.047,355 4.453,357 10.559,358 2.839,359 3.931,360 2.769,361 5.758,362 3.507,363 2.557,364 3.465,366 7.801,367 2.42,368 3.823,369 2.568,370 5.692,371 3.369,372 2.413,373 3.341,375 7.651,376 2.305,377 3.593,378 2.415,379 5.272,380 3.121,381 2.165,382 3.029,384 6.542,385 2.061,386 3.085,387 2.172,388 4.66,389 2.57,390 1.605,391 2.333,393 4.702,394 1.539,395 3.054,396 1.556,397 4.592,398 2.538,399 1.554,400 2.309,402 4.625,403 1.53,404 3.037,405 1.539,406 4.346,407 2.493,408 1.537,409 2.292,411 3.76,412 1.463,413 2.729,414 1.424,415 4.068,416 2.245,417 1.298,418 1.825,420 3.59,421 1.225,422 2.5,423 1.078,424 3.775,425 2,426 1,427 1.5,428 2.612,429 1,430 2.5,431 1,432 3.414,433 1.97,434 1,435 1.5,436 2.275,437 0.968,438 2.423,439 1,440 3.403,441 1.933,442 0.996,443 1.392,445 2.23,446 0.931,447 1.95,448 0.881,449 3.151,450 1.432,451 0.468,452 0.688,454 1.201,455 0.45,456 1.408,457 0.471,458 3.021,459 1.021,460 0.096,461 0.121,463 0.258,464 0.088,465 14.3,466 0.477,467 0.946,468 0.032,469 45.75,470 1.525,471 25.5,472 0.85,473 20.25,474 0.675,475 21.056,476 0.702,477 30.7,478 0.653,479 35.537,480 1.185,481 8.847,482 0.295,483 5.551,484 0.185,485 0.117,486 0.058,487 0.343,493 0.578,494 1.179,495 0.766,496 1.092,497 0.673,498 0.833,499 0.785,500 1.093,501 0.933,502 0.996,503 0.586,504 0.803,505 1.26,506 1.203,507 1.034,508 1.022,509 1.195,510 1.006,511 1.061,512 1.089,513 1.014,514 1.028,515 0.981,516 1.081,517 0.924,518 0.895,519 0.731,520 0.746,521 0.848,522 0.862,523 0.761,524 1.096,525 0.826,526 0.835,527 0.405,528 0.899,529 0.863,530 0.993,531 0.868,532 0.901,533 0.652,534 1.027,535 0.696,536 0.961,537 0.929,538 0.975,539 0.532,540 1.121,541 7,542 0.265,543 4.222,544 2.132,545 1.47,546 1.122,547 0.751,548 0.604,549 0.361,550 0.287,551 11782,552 36833,553 2.136,554 36.2,556 13,558 2,559 2,564 1.732,565 1.989,566 3.338,567 0.309,568 1,569 1,573 83.489,574 1.776,575 3.944,576 4.721,577 5.097,578 5.139,579 5.139,580 2.727,581 4.548,582 4.878,583 3.555,584 1546.61,585 8.528,586 20971,588 1,590 1,591 261.066,592 1.579,593 4.829,594 0.206,595 0.011,596 0.083,597 0.043,598 0.032,599 0.027,600 0.017,601 0.014,602 0.01,603 0.01,604 0.452,605 0.17,606 0.88,607 0.715,608 152.387,609 0.105,610 -0.021,611 0.182,612 -0.03,613 -0.159,614 0.031,615 0.098,617 -0.007,619 0.231,620 0.083,621 -0.247,622 -0.171,623 -0.171,624 -0.092,625 -0.144,626 -0.112,627 -0.1,628 -0.071,629 -0.169,630 -0.145,631 -0.094,632 -0.167,633 -0.037,634 0.067,635 0.073,636 0.096,637 -0.076,638 0.106,639 -0.038,640 -0.046,641 -0.049,642 0.016,643 0.032,644 0.013,645 -0.072,646 0.036,647 -0.087,648 -0.045,649 -0.075,650 -0.109,651 0.063,652 0.013,653 -0.035,654 -0.044,655 0.069,656 -0.127,657 4.174,658 4.707,659 0.8,660 27.133,661 1.018,662 1.126,663 3.541,664 12.542,665 0.711,666 3.555,667 3.951,668 4.248,669 4.543,670 4.771,671 4.942,672 5.142,673 5.328,674 5.438,675 5.583,676 6.48,677 0.689,678 419.51,679 3.555,680 5.142,681 6.019,682 6.93,683 7.824,684 8.737,685 9.636,686 10.55,687 11.453,688 12.368,689 14.9,697 3,699 4,703 4,704 9,705 4,706 1,709 5,710 1,711 26,724 1,731 47,733 28,734 2,735 34,737 51,738 20,739 18,740 5,741 7,746 5,747 7,761 18,762 2,766 2,769 1,771 2,778 1,781 17,782 7,783 2,784 10,785 1,790 7,794 0.6,795 2,803 2,806 1,811 2,812 3,815 2,840 3,842 1,844 2,848 30,851 1,855 1,870 4.3,873 2,877 15.083,878 9.25,879 6.25,880 2.548,881 5.083,882 1.62,883 1.063,884 4.313,885 13.276,886 3.912,887 4.654,888 5.297,889 5.958,890 6.512,891 6.962,892 7.487,893 8.002,894 8.39,895 8.881,896 0.857,897 50,898 11.19,900 5.076,901 7.864,902 20.831,904 17.615,905 2.364,906 70.917,909 1,910 176.567,911 127.216,912 103.347,914 44.313,916 6.046,917 121.17,918 220.879,919 103.347,920 15.587,922 72.38,923 136.468,924 69.512,925 4.472,926 153.024,928 176.567,929 224.517,930 44.313,931 6.046,933 178.894,934 44.313,937 56.26,938 99.032,939 72.943,941 176.567,942 147.66,943 127.216,945 6.046,946 176.567,947 21.154,948 101.792,949 34.674,950 111.21,951 176.567,952 147.66,953 127.216,955 0.603,956 0.351,957 0.186,958 0.096,959 28,960 12,961 0.078,962 4,963 2,964 1.167,965 4.069,966 287.662,967 0.167,968 24,969 141.207,973 1,974 18.737,975 6.906,976 3.358,977 3.248,978 129.221,979 15.789,980 17.878,981 2.957,984 2.928,985 1.688,986 34.674,987 451.442,988 49,991 -3.257,993 23.414,999 47.862,1000 52.903,1001 0.32,1002 0.71,1003 0.85,1004 0.918,1005 0.925,1006 0.925,1007 5.168,1008 1.554,1009 6.057,1010 4.702,1011 4.635,1012 5.342,1013 2.93,1014 6.944,1015 4.525,1016 6.45,1017 1.537,1018 7.67,1019 4.625,1020 4.443,1021 5.46,1023 8.116,1024 4.215,1025 7.823,1026 1.298,1027 9.391,1028 3.76,1029 6.347,1030 7.766,1031 5.027,1032 11.17,1033 6.107,1034 9.238,1035 1,1036 11.175,1037 3.59,1038 6.957,1039 8.698,1041 13.128,1042 6.593,1043 10.685,1044 1,1045 13,1046 2.612,1047 8.382,1048 10.511,1049 7.185,1050 15.751,1051 7.993,1052 12.156,1053 0.996,1054 14.852,1055 2.275,1056 9.323,1057 11.785,1059 17.997,1060 8.822,1061 13.645,1062 0.468,1063 16.723,1064 2.23,1065 10.58,1066 13.419,1067 9.348,1068 20.488,1069 10.037,1070 3.314,1071 0.096,1072 18.608,1073 1.201,1074 11.657,1075 14.839,1077 22.843,1078 11.019,1079 3.238,1080 11.657,1081 20.503,1082 0.258,1083 12.856,1084 16.406,1085 11.511,1086 25.29,1087 12.164,1088 3.047,1089 11.154,1090 22.407,1091 4.661,1092 13.99,1093 17.887,1095 27.689,1096 13.215,1097 2.557,1098 10.559,1099 24.318,1100 4.642,1101 15.171,1102 19.429,1103 13.675,1104 30.123,1105 14.335,1106 2.413,1107 7.801,1108 26.233,1109 4.453,1110 16.329,1111 20.937,1113 32.539,1114 15.417,1115 2.165,1116 7.651,1117 28.154,1118 3.465,1119 17.506,1120 22.47,1121 15.838,1122 34.97,1123 16.529,1124 1.605,1125 6.542,1126 30.077,1127 3.341,1128 18.675,1129 23.989,1131 37.396,1132 17.628,1133 10991,1134 19593,1135 22.77,1136 33.404,1137 52.872,1138 54.514,1139 53.322,1140 52.704,1141 52.577,1142 75.103,1143 6.7,1144 161.235,1145 49.813,1146 5.581,1147 7.18,1148 6.666,1149 5.284,1150 5.314,1151 7.661,1152 5.9,1153 18.901,1154 5.122,1155 14.614,1156 1.555,1157 1.603,1158 1.568,1159 1.55,1160 1.546,1161 2.209,1162 0.197,1163 4.742,1164 1.465,1165 4.165,1166 4.206,1167 4.735,1168 4.099,1169 7.716,1170 4.061,1171 4.065,1172 4.076,1173 4.132,1174 4.022,1175 6.999,1176 3.976,1177 4.01,1178 4.025,1179 3.989,1180 3.857,1181 5.174,1182 3.878,1183 3.665,1184 3.669,1185 3.712,1186 3.586,1187 5.051,1188 3.525,1189 3.415,1190 3.491,1191 3.359,1192 3.189,1193 4.721,1194 3.218,1195 3.294,1196 3.369,1197 3.199,1198 3.09,1199 4.57,1200 3.106,1201 3.076,1202 3.14,1203 2.987,1204 2.929,1205 4.338,1206 2.931,1207 2.917,1208 3.02,1209 2.721,1210 2.735,1211 4.059,1212 2.715,1213 0.141,1214 0.152,1215 0.209,1216 0.124,1217 0.097,1218 4.801,1219 0.137,1220 5.18,1221 0.087,1222 7.111,1223 0.343,1224 4.203,1225 0.092,1226 3.314,1227 4.661,1228 2.95,1229 11.657,1230 3.122,1231 1.992,1232 1.992,1233 2.042,1234 2.093,1235 1.217,1236 2.093,1237 1.958,1238 1.946,1239 1.989,1240 2.021,1241 1.181,1242 2.048,1243 1.76,1244 1.733,1245 1.81,1246 1.907,1247 0.96,1248 1.895,1249 1.543,1250 1.545,1251 1.66,1252 1.755,1253 0.819,1254 1.758,1255 1.429,1256 1.34,1257 1.58,1258 1.661,1259 0.683,1260 1.68,1261 1.314,1262 1.238,1263 1.455,1264 1.619,1265 0.421,1266 1.58,1267 1.03,1268 0.979,1269 1.225,1270 1.212,1271 0.301,1272 1.219,1273 0.959,1274 0.88,1275 1.181,1276 1.186,1277 0.218,1278 1.207,1279 4.234,1281 5.609,1282 3.045,1283 7.169,1284 5.352,1285 8.813,1286 7.413,1287 10.502,1289 3.004,1296 3.268,1305 32.401,1306 83.489,1307 185.375,1308 221.904,1309 239.556,1310 241.556,1311 241.556,1312 47.593,1313 8.193,1314 118.45,1315 126.83,1316 28,1317 12.882,1318 4.858,1319 4,1320 41.464,1321 114,1322 116,1323 0.175,1324 200.132,1325 322.31,1326 480.083,1327 42457,1329 20.88,1330 0.696,1331 0.566,1332 21.13,1333 16.973,1334 14.398,1335 0.423,1336 0.323,1337 9.11,1338 13.02,1339 8.693,1340 7.216,1341 15.292,1342 10.985,1343 14.143,1344 0.277,1345 0.176,1346 15.53,1347 8.975,1348 11.715,1349 0.17,1350 0.087,1351 12.472,1352 5.991,1353 10.023,1354 0.108,1355 0.043,1356 10.539,1357 3.954,1358 7.943,1359 0.068,1360 0.022,1361 8.311,1362 2.534,1363 0.27,1364 99.624,1365 0.21,1366 27.946,1367 0.491,1368 170,1369 521.223,1370 220.198,1371 531.207,1372 735.69,1373 492,1374 205,1375 541.173,1376 262.041,1377 579.894,1378 843.26,1379 542,1380 8.854}
{0 CHEMBL1257535,1 1.813,2 10.433,3 2.85,4 8.12,5 110.207,6 9.141,7 0.765,8 3.989,9 4.079,10 3.865,11 3.585,12 5.164,13 3.573,14 4.495,15 4.622,16 4.171,17 3.954,18 5.862,19 3.955,20 4.66,21 4.798,22 4.172,23 4.02,24 5.942,25 4.012,26 4.691,27 4.852,28 4.101,29 3.968,30 5.962,31 3.954,32 4.614,33 4.811,34 3.993,35 3.884,36 5.774,37 3.865,38 4.546,39 4.709,40 4.017,41 3.881,42 5.756,43 3.877,44 4.555,45 4.711,46 4.036,47 3.924,48 5.707,49 3.899,50 4.593,51 4.782,52 3.95,53 3.93,54 5.77,55 3.848,56 0.165,57 0.772,58 8.236,59 4.26,60 15.654,61 4.043,62 0.435,63 1.209,64 16.502,65 6.877,66 49.932,67 6.948,68 0.508,69 1.339,70 18.835,71 7.966,72 52.725,73 7.647,74 0.643,75 1.369,76 20.063,77 7.835,78 51.806,79 8.056,80 0.519,81 1.268,82 19.493,83 7.386,84 53.446,85 8.619,86 0.585,87 1.187,88 15.918,89 6.452,90 45.407,91 7.069,92 0.497,93 1.247,94 15.02,95 6.521,96 27.98,97 7.02,98 0.462,99 1.282,100 17.205,101 7.631,102 37.355,103 8.878,104 18,105 51,106 0.301,107 0.651,108 0.776,109 0.84,110 0.847,111 0.847,112 3.441,113 0.961,114 -4.77,115 -4.68,116 -4.4,119 43.5,124 2,142 7,143 3,144 2,145 2,147 1,149 1,152 1,161 1,166 1,168 1,172 6,174 4,175 10,180 2,183 6,186 1,187 12,192 2,195 4,198 5,199 12,204 1,207 3,211 2,212 9,215 2,220 4,223 2,224 10,232 3,236 2,237 10,240 2,242 1,245 7,249 3,250 3,253 1,258 6,263 2,268 2,271 4,275 1498,276 20.074,277 20.074,278 20.074,279 20.074,280 20.074,281 16.781,282 12.785,283 11.418,284 20.684,285 16.799,286 16.799,287 16.799,288 16.799,289 16.799,290 11.769,291 13.124,292 5.408,293 17.877,294 3.711,295 1.602,296 0.851,297 0.468,298 0.424,299 0.424,300 4.147,304 1,305 1,306 695,307 3.464,310 123.191,311 233.103,314 223.795,318 1.596,319 35.982,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 66,331 313,332 4.801,333 5.18,334 7.111,335 4.199,336 3.314,337 4.661,338 2.95,339 11.657,340 3.116,341 4.677,342 3.332,343 6.777,344 4.176,345 3.238,346 4.642,347 0.86,348 11.154,349 2.952,350 4.51,351 3.086,352 6.62,353 4.02,354 3.047,355 4.453,357 10.559,358 2.836,359 3.931,360 2.878,361 5.758,362 3.481,363 2.557,364 3.465,366 7.801,367 2.353,368 3.823,369 2.616,370 5.692,371 3.368,372 2.413,373 3.341,375 7.651,376 2.303,377 3.593,378 2.425,379 5.272,380 3.113,381 2.165,382 3.029,384 6.542,385 2.039,386 3.085,387 2.229,388 4.66,389 2.56,390 1.605,391 2.333,393 4.702,394 1.53,395 3.054,396 1.557,397 4.592,398 2.538,399 1.554,400 2.309,402 4.625,403 1.52,404 3.037,405 1.541,406 4.346,407 2.493,408 1.537,409 2.292,411 3.76,412 1.463,413 2.729,414 1.473,415 4.068,416 2.24,417 1.298,418 1.825,420 3.59,421 1.217,422 2.5,423 1.111,424 3.775,425 2,426 1,427 1.5,428 2.612,429 1,430 2.5,431 1,432 3.414,433 1.97,434 1,435 1.5,436 2.275,437 0.968,438 2.423,439 1,440 3.403,441 1.925,442 0.996,443 1.392,445 2.23,446 0.921,447 1.95,448 0.917,449 3.151,450 1.432,451 0.468,452 0.688,454 1.201,455 0.45,456 1.408,457 0.474,458 3.021,459 0.989,460 0.096,461 0.121,463 0.258,464 0.085,465 14.233,466 0.474,467 0.946,468 0.032,469 45.75,470 1.525,471 25.5,472 0.85,473 20.25,474 0.675,475 20.913,476 0.697,477 30.767,478 0.669,479 35.68,480 1.189,481 8.875,482 0.296,483 5.523,484 0.184,485 0.117,486 0.059,487 0.344,493 0.601,494 1.165,495 0.747,496 1.127,497 0.677,498 0.845,499 0.823,500 1.057,501 0.926,502 0.993,503 0.597,504 0.781,505 1.36,506 1.152,507 1.034,508 1.026,509 1.233,510 0.98,511 1.194,512 1.085,513 1.038,514 1.005,515 1.053,516 1.051,517 0.918,518 0.887,519 0.7,520 0.795,521 0.884,522 0.869,523 0.999,524 1.004,525 0.728,526 0.728,527 0.428,528 0.826,529 0.978,530 1.035,531 0.884,532 0.902,533 0.518,534 1.023,535 0.687,536 1.037,537 0.964,538 1.014,539 0.556,540 1.181,541 7,542 0.265,543 4.222,544 2.132,545 1.47,546 1.122,547 0.751,548 0.604,549 0.361,550 0.287,551 11782,552 37779,553 2.136,554 34.8,556 13,558 2,559 1,564 1.732,565 1.989,566 3.338,567 -0.25,568 1,569 1,573 83.381,574 1.813,575 3.922,576 4.672,577 5.056,578 5.099,579 5.099,580 2.727,581 4.548,582 4.878,583 3.555,584 1546.61,585 8.528,586 20971,588 1,590 1,591 254.084,592 1.579,593 4.829,594 0.206,595 0.011,596 0.083,597 0.043,598 0.032,599 0.027,600 0.017,601 0.014,602 0.01,603 0.01,604 0.452,605 0.17,606 0.88,607 0.715,608 152.387,609 0.092,610 -0.035,611 0.185,612 -0.066,613 -0.156,614 0.009,615 0.087,616 0.021,617 -0.002,618 0.002,619 0.23,620 0.097,621 -0.263,622 -0.149,623 -0.162,624 -0.085,625 -0.156,626 -0.091,627 -0.097,628 -0.08,629 -0.188,630 -0.117,631 -0.115,632 -0.158,633 -0.022,634 0.081,635 0.093,636 0.048,637 -0.088,638 0.094,640 -0.013,641 0.008,642 0.098,643 0.078,644 0.073,645 -0.076,646 -0.005,647 -0.128,648 -0.048,649 -0.053,650 -0.142,651 0.031,652 -0.036,653 -0.095,654 -0.091,655 0.051,656 -0.207,657 4.202,658 4.686,659 0.8,660 27.133,661 1.024,662 1.122,663 3.541,664 12.542,665 0.714,666 3.555,667 3.951,668 4.248,669 4.543,670 4.771,671 4.942,672 5.142,673 5.328,674 5.438,675 5.583,676 6.48,677 0.698,678 420.49,679 3.555,680 5.142,681 6.019,682 6.93,683 7.824,684 8.737,685 9.636,686 10.55,687 11.453,688 12.368,689 13,697 2,699 4,703 4,704 9,705 4,706 1,709 5,710 1,711 26,729 1,731 46,733 28,734 2,735 34,737 50,738 20,739 18,740 5,741 7,746 5,747 7,761 18,762 2,766 2,769 1,771 2,778 1,781 16,782 7,783 1,784 10,785 1,790 6,794 0.6,795 3,803 2,806 1,811 2,812 3,815 2,840 3,842 1,844 2,848 30,851 1,856 1,870 6.5,873 2,875 1,877 15.083,878 9.167,879 6.25,880 2.507,881 5.083,882 1.62,883 1.053,884 4.313,885 13.276,886 3.912,887 4.654,888 5.297,889 5.958,890 6.512,891 6.962,892 7.487,893 8.002,894 8.39,895 8.881,896 0.857,897 50,898 11.199,900 5.093,901 7.897,902 20.733,904 17.463,905 2.397,906 71.917,909 1,910 176.567,911 132.189,912 85.337,914 55.313,916 6.046,917 126.143,918 231.879,919 85.337,920 15.587,922 72.38,923 136.468,924 64.988,925 6.959,926 153.024,928 176.567,929 211.48,930 55.313,931 6.046,933 178.894,934 55.313,937 38.25,938 104.005,939 72.943,941 176.567,942 140.649,943 132.189,945 6.046,946 176.567,947 26.128,948 101.792,949 16.663,950 122.21,951 176.567,952 140.649,953 132.189,955 0.603,956 0.351,957 0.186,958 0.096,959 28,960 12,961 0.08,962 4,963 2,964 1.167,965 4.069,966 287.662,967 0.167,968 24,969 141.207,973 1,974 18.737,975 6.906,976 3.358,977 3.026,978 122.21,979 15.295,980 17.671,981 2.942,984 2.285,985 1.648,986 16.663,987 449.405,988 49,991 -3.285,993 23.373,999 47.087,1000 51.614,1001 0.328,1002 0.71,1003 0.846,1004 0.915,1005 0.923,1006 0.923,1007 5.168,1008 1.554,1009 6.057,1010 4.702,1011 4.635,1012 5.342,1013 2.99,1014 6.944,1015 4.513,1016 6.45,1017 1.537,1018 7.67,1019 4.625,1020 4.443,1021 5.46,1023 8.116,1024 4.198,1025 7.823,1026 1.298,1027 9.391,1028 3.76,1029 6.347,1030 7.766,1031 5.034,1032 11.17,1033 6.084,1034 9.238,1035 1,1036 11.175,1037 3.59,1038 6.957,1039 8.698,1041 13.128,1042 6.568,1043 10.685,1044 1,1045 13,1046 2.612,1047 8.382,1048 10.511,1049 7.185,1050 15.751,1051 7.964,1052 12.156,1053 0.996,1054 14.852,1055 2.275,1056 9.323,1057 11.785,1059 17.997,1060 8.792,1061 13.645,1062 0.468,1063 16.723,1064 2.23,1065 10.58,1066 13.419,1067 9.348,1068 20.488,1069 10.005,1070 3.314,1071 0.096,1072 18.608,1073 1.201,1074 11.657,1075 14.839,1077 22.843,1078 10.986,1079 3.238,1080 11.657,1081 20.503,1082 0.258,1083 12.856,1084 16.406,1085 11.511,1086 25.29,1087 12.129,1088 3.047,1089 11.154,1090 22.407,1091 4.661,1092 13.99,1093 17.887,1095 27.689,1096 13.178,1097 2.557,1098 10.559,1099 24.318,1100 4.642,1101 15.171,1102 19.429,1103 13.675,1104 30.123,1105 14.296,1106 2.413,1107 7.801,1108 26.233,1109 4.453,1110 16.329,1111 20.937,1113 32.539,1114 15.377,1115 2.165,1116 7.651,1117 28.154,1118 3.465,1119 17.506,1120 22.47,1121 15.838,1122 34.97,1123 16.487,1124 1.605,1125 6.542,1126 30.077,1127 3.341,1128 18.675,1129 23.989,1131 37.396,1132 17.584,1133 10991,1134 19853,1135 22.77,1136 32.852,1137 52.872,1138 54.654,1139 53.322,1140 52.685,1141 52.577,1142 75.103,1143 7.62,1144 161.235,1145 49.504,1146 5.581,1147 7.18,1148 6.666,1149 5.306,1150 5.314,1151 7.661,1152 5.9,1153 18.901,1154 5.116,1155 14.614,1156 1.555,1157 1.607,1158 1.568,1159 1.55,1160 1.546,1161 2.209,1162 0.224,1163 4.742,1164 1.456,1165 4.162,1166 4.199,1167 4.735,1168 4.095,1169 7.716,1170 4.057,1171 4.063,1172 4.07,1173 4.13,1174 4.021,1175 6.999,1176 3.974,1177 4.008,1178 4.024,1179 3.987,1180 3.85,1181 5.194,1182 3.875,1183 3.652,1184 3.641,1185 3.703,1186 3.573,1187 5.058,1188 3.513,1189 3.413,1190 3.488,1191 3.357,1192 3.188,1193 4.797,1194 3.217,1195 3.286,1196 3.357,1197 3.193,1198 3.082,1199 4.572,1200 3.099,1201 3.067,1202 3.131,1203 2.97,1204 2.915,1205 4.358,1206 2.915,1207 2.86,1208 2.925,1209 2.691,1210 2.735,1211 4.182,1212 2.715,1213 0.141,1214 0.152,1215 0.209,1216 0.123,1217 0.097,1218 4.801,1219 0.137,1220 5.18,1221 0.087,1222 7.111,1223 0.343,1224 4.199,1225 0.092,1226 3.314,1227 4.661,1228 2.95,1229 11.657,1230 3.116,1231 1.982,1232 1.987,1233 2.037,1234 2.083,1235 1.207,1236 2.081,1237 1.956,1238 1.946,1239 1.973,1240 2.016,1241 1.18,1242 2.048,1243 1.748,1244 1.724,1245 1.803,1246 1.903,1247 0.936,1248 1.884,1249 1.531,1250 1.54,1251 1.652,1252 1.743,1253 0.806,1254 1.741,1255 1.428,1256 1.339,1257 1.578,1258 1.657,1259 0.677,1260 1.68,1261 1.313,1262 1.238,1263 1.454,1264 1.619,1265 0.421,1266 1.579,1267 1.03,1268 0.979,1269 1.225,1270 1.212,1271 0.301,1272 1.218,1273 0.958,1274 0.878,1275 1.181,1276 1.186,1277 0.218,1278 1.207,1279 4.234,1281 5.609,1282 3.045,1283 7.169,1284 5.352,1285 8.813,1286 7.413,1287 10.502,1289 2.956,1297 6.006,1305 32.094,1306 83.381,1307 180.393,1308 214.923,1309 232.574,1310 234.574,1311 234.574,1312 48.801,1313 8.193,1314 115.65,1315 124.03,1316 28,1317 12.882,1318 4.858,1319 4,1320 41.464,1321 114,1322 116,1323 0.175,1324 197.334,1325 320.1,1326 473.256,1327 42457,1329 20.88,1330 0.696,1331 0.563,1332 21.13,1333 16.882,1334 14.398,1335 0.423,1336 0.32,1337 9.007,1338 12.964,1339 8.601,1340 7.13,1341 15.292,1342 10.893,1343 14.143,1344 0.277,1345 0.174,1346 15.53,1347 8.856,1348 11.715,1349 0.17,1350 0.085,1351 12.472,1352 5.878,1353 10.023,1354 0.108,1355 0.041,1356 10.539,1357 3.855,1358 7.943,1359 0.068,1360 0.021,1361 8.311,1362 2.43,1363 0.27,1364 100.032,1365 0.21,1366 27.946,1367 0.491,1368 170,1369 550.625,1370 222.407,1371 552.321,1372 763.09,1373 512,1374 205,1375 562.192,1376 264.195,1377 596.964,1378 870.24,1379 558,1380 8.523}
{0 CHEMBL1257652,1 1.76,2 9.552,3 2.697,4 7.274,5 108.417,6 8.989,7 0.788,8 3.958,9 4.055,10 3.829,11 3.588,12 5.112,13 3.561,14 4.469,15 4.603,16 4.134,17 3.973,18 5.807,19 3.957,20 4.64,21 4.787,22 4.148,23 4.069,24 5.897,25 4.036,26 4.695,27 4.868,28 4.089,29 4.045,30 5.924,31 4.007,32 4.659,33 4.865,34 3.99,35 3.976,36 5.794,37 3.926,38 4.565,39 4.76,40 4,41 3.963,42 5.623,43 3.916,44 4.564,45 4.727,46 4.053,47 4,48 5.756,49 3.937,50 4.668,51 4.867,52 4.011,53 3.966,54 5.801,55 3.873,56 0.137,57 0.759,58 8.431,59 4.139,60 15.091,61 4.132,62 0.337,63 1.206,64 16.454,65 6.787,66 47.569,67 7.141,68 0.368,69 1.367,70 18.53,71 7.939,72 48.268,73 8.264,74 0.406,75 1.448,76 19.922,77 8.024,78 46.252,79 8.806,80 0.441,81 1.369,82 19.877,83 7.896,84 50.323,85 9.626,86 0.303,87 1.292,88 17.324,89 6.85,90 29.102,91 8.329,92 0.335,93 1.294,94 14.969,95 7.171,96 29.274,97 8.305,98 0.332,99 1.372,100 22.456,101 8.869,102 32.761,103 10.737,104 18,105 50,106 0.293,107 0.635,108 0.76,109 0.825,110 0.843,111 0.843,112 3.409,113 0.976,114 -4.43,115 -4.36,116 -4.11,119 44.4,124 2,142 7,143 4,144 1,145 2,146 1,149 1,152 1,161 1,166 1,168 1,172 8,174 3,175 8,180 2,183 9,186 1,187 12,192 2,195 6,198 2,199 14,204 1,207 4,211 2,212 13,215 2,220 6,224 9,232 8,236 3,237 6,240 1,242 2,245 8,249 1,250 3,253 1,255 2,258 4,262 6,263 4,268 2,271 2,275 1307,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 16.189,282 6.315,283 10.98,284 19.909,285 16.293,286 16.293,287 16.293,288 16.293,289 16.293,290 11.343,291 4.984,292 5.174,293 17.151,294 3.732,295 1.682,296 0.931,297 0.539,298 0.434,299 0.434,300 4.115,304 1,305 1,306 615,307 3.317,310 115.918,311 215.433,314 210.095,318 1.536,319 32.049,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 63,331 277,332 4.804,333 5.18,334 7.112,335 4.245,336 3.323,337 4.686,338 2.95,339 11.663,340 3.164,341 4.7,342 3.279,343 6.847,344 4.17,345 3.26,346 4.644,348 11.399,349 3.016,350 4.52,351 3.068,352 6.652,353 4.044,354 3.062,355 4.46,357 10.684,358 2.83,359 4.03,360 2.739,361 6.045,362 3.595,363 2.632,364 3.615,366 8.587,367 2.521,368 3.814,369 2.547,370 5.742,371 3.364,372 2.405,373 3.322,375 7.721,376 2.302,377 3.438,378 2.4,379 5.045,380 2.915,381 1.945,382 2.853,384 5.66,385 1.878,386 3.056,387 1.856,388 4.66,389 2.538,390 1.558,391 2.332,393 4.634,394 1.53,395 3.039,396 1.554,397 4.603,398 2.507,399 1.542,400 2.307,402 4.581,403 1.481,404 2.984,405 1.537,406 4.177,407 2.485,408 1.516,409 2.169,411 3.599,412 1.46,413 2.677,414 1.286,415 4.053,416 2.139,417 1.197,418 1.759,420 3.376,421 1.124,422 2.5,423 1,424 3.682,425 2,426 1,427 1.5,428 2.275,429 1,430 2.5,431 1,432 3.414,433 1.97,434 1,435 1.5,436 2.249,437 0.968,438 2.283,439 0.993,440 3.403,441 1.778,442 0.834,443 1.188,445 2.208,446 0.784,447 1.945,448 0.685,449 3.146,450 1.424,451 0.461,452 0.68,454 1.18,455 0.443,456 1.165,457 0.464,458 2.877,459 0.721,460 -0.224,461 -0.296,463 -0.581,464 -0.21,465 13.9,466 0.479,467 0.929,468 0.032,469 44.25,470 1.526,471 25,472 0.862,473 19.25,474 0.664,475 20.374,476 0.703,477 29.3,478 0.651,479 34.29,480 1.182,481 8.529,482 0.294,483 5.386,484 0.186,485 0.12,486 0.06,487 0.353,493 0.505,494 1.116,495 0.756,496 1.082,497 0.658,498 0.829,499 0.79,500 1.036,501 0.932,502 0.951,503 0.589,504 0.763,505 1.199,506 1.123,507 1.003,508 0.989,509 1.173,510 0.972,511 1.105,512 1.138,513 1.009,514 1.016,515 0.992,516 1.061,517 0.875,518 0.885,519 0.737,520 0.757,521 0.815,522 0.901,523 0.778,524 1.002,525 0.755,526 0.793,527 0.448,528 0.87,529 0.664,530 1.056,531 0.894,532 1.002,533 0.526,534 1.114,535 0.719,536 1.187,537 0.997,538 1.263,539 0.713,540 1.229,541 6.5,542 0.145,543 4.444,544 2.132,545 1.345,546 1.323,547 0.832,548 0.57,549 0.421,550 0.328,551 10309,552 32094,553 2.141,554 35.6,556 13,558 2,559 1,564 1.725,565 1.989,566 3.217,567 -0.268,568 1,569 1,573 79.185,574 1.76,575 3.81,576 4.56,577 4.953,578 5.058,579 5.058,580 2.672,581 4.323,582 4.829,583 3.432,584 1393.28,585 8.441,586 18123.5,588 1,590 1,591 247.133,592 1.599,593 4.779,594 0.197,595 0.01,596 0.089,597 0.043,598 0.029,599 0.031,600 0.019,601 0.013,602 0.011,603 0.014,604 0.455,605 0.33,606 0.88,607 0.729,608 144.355,609 0.149,610 0.004,611 0.191,612 -0.036,613 -0.151,614 0.025,615 0.083,616 0.037,617 -0.009,618 0.034,619 0.222,620 0.117,621 -0.212,622 -0.112,623 -0.153,624 -0.059,625 -0.127,626 -0.079,627 -0.173,628 -0.122,629 -0.192,630 -0.139,631 -0.113,632 -0.159,633 -0.026,634 0.083,635 0.035,636 0.082,637 -0.073,638 0.059,639 -0.109,640 0.015,641 0.03,642 0.069,643 -0.022,644 0.072,645 0.066,646 -0.03,647 -0.097,648 -0.108,649 0.046,650 -0.206,651 0.067,652 -0.238,653 0.01,654 -0.251,655 0.013,656 -0.204,657 4.186,658 4.787,659 0.828,660 25.042,661 1.017,662 1.12,663 3.2,664 10.243,665 0.72,666 3.526,667 3.932,668 4.248,669 4.554,670 4.796,671 4.99,672 5.231,673 5.403,674 5.521,675 5.659,676 6.022,677 0.697,678 404.49,679 3.526,680 5.118,681 6.004,682 6.923,683 7.825,684 8.746,685 9.655,686 10.576,687 11.489,688 12.411,689 13.3,697 2,699 4,703 4,704 9,705 4,706 1,709 5,710 1,711 26,731 45,733 28,734 2,735 33,737 49,738 20,739 18,740 5,741 7,746 5,747 7,761 18,762 2,766 2,769 1,771 2,778 1,781 16,782 6,783 1,784 9,785 1,790 6,794 0.6,795 2,803 2,806 1,811 2,812 3,815 2,840 3,842 1,844 2,848 29,851 1,870 4.4,873 2,877 14.583,878 9,879 6.028,880 2.486,881 5.11,882 1.627,883 1.067,884 3.934,885 13.265,886 3.892,887 4.644,888 5.312,889 5.992,890 6.572,891 7.064,892 7.653,893 8.176,894 8.598,895 9.097,896 1,897 50,898 10.836,900 4.952,901 7.859,902 20.199,904 17.235,905 2.359,906 68.417,909 1,910 176.567,911 128.073,912 85.337,914 44.313,916 6.046,917 122.027,918 220.879,919 85.337,920 15.587,922 72.38,923 136.468,924 54.687,925 2.144,926 153.024,928 176.567,929 207.364,930 44.313,931 6.046,933 178.894,934 44.313,937 41.006,938 97.132,939 72.943,941 176.567,942 129.65,943 128.073,945 6.046,946 176.567,947 22.012,948 101.792,949 16.663,950 111.21,951 176.567,952 129.65,953 128.073,955 0.605,956 0.356,957 0.189,958 0.098,959 28,960 12,961 0.061,962 3,963 2,964 1.167,965 3.935,966 280.463,967 0.167,968 24,969 134.881,973 1,974 17.837,975 6.396,976 2.968,977 3.308,978 111.21,979 15.982,980 17.991,981 2.96,984 3.154,985 1.699,986 16.663,987 434.289,988 48,991 -3.269,993 23.573,999 45.76,1000 50.405,1001 0.32,1002 0.694,1003 0.83,1004 0.902,1005 0.921,1006 0.921,1007 5.15,1008 1.542,1009 6.047,1010 4.634,1011 4.615,1012 5.333,1013 2.913,1014 6.952,1015 4.516,1016 6.439,1017 1.516,1018 7.672,1019 4.581,1020 4.443,1021 5.46,1023 8.153,1024 4.232,1025 7.817,1026 1.197,1027 9.404,1028 3.599,1029 6.344,1030 7.77,1031 5.027,1032 11.219,1033 6.126,1034 9.238,1035 1,1036 11.2,1037 3.376,1038 6.976,1039 8.713,1041 13.196,1042 6.643,1043 10.691,1044 1,1045 13.035,1046 2.275,1047 8.4,1048 10.527,1049 7.185,1050 15.829,1051 8.047,1052 12.168,1053 0.834,1054 14.896,1055 2.249,1056 9.356,1057 11.809,1059 18.085,1060 8.902,1061 13.662,1062 0.461,1063 16.774,1064 2.208,1065 10.614,1066 13.444,1067 9.348,1068 20.583,1069 10.125,1070 3.323,1071 -0.224,1072 18.666,1073 1.18,1074 11.701,1075 14.869,1077 22.945,1078 11.128,1079 3.26,1080 11.663,1081 20.567,1082 -0.581,1083 12.903,1084 16.437,1085 11.511,1086 25.399,1087 12.282,1088 3.062,1089 11.399,1090 22.475,1091 4.686,1092 14.043,1093 17.921,1095 27.803,1096 13.35,1097 2.632,1098 10.684,1099 24.388,1100 4.644,1101 15.228,1102 19.465,1103 13.675,1104 30.244,1105 14.482,1106 2.405,1107 8.587,1108 26.307,1109 4.46,1110 16.391,1111 20.975,1113 32.666,1114 15.58,1115 1.945,1116 7.721,1117 28.229,1118 3.615,1119 17.571,1120 22.51,1121 15.838,1122 35.103,1123 16.705,1124 1.558,1125 5.66,1126 30.154,1127 3.322,1128 18.744,1129 24.032,1131 37.534,1132 17.817,1133 9631,1134 17145,1135 22.076,1136 32.398,1137 51.851,1138 53.452,1139 52.316,1140 51.62,1141 51.472,1142 74.029,1143 5.9,1144 159.633,1145 49.002,1146 5.505,1147 7.18,1148 6.666,1149 5.322,1150 5.323,1151 7.686,1152 5.9,1153 19.048,1154 5.164,1155 14.12,1156 1.571,1157 1.62,1158 1.585,1159 1.564,1160 1.56,1161 2.243,1162 0.179,1163 4.837,1164 1.485,1165 4.178,1166 4.213,1167 4.735,1168 4.117,1169 7.716,1170 4.083,1171 4.064,1172 4.084,1173 4.138,1174 4.015,1175 6.999,1176 3.978,1177 3.996,1178 3.999,1179 3.995,1180 3.871,1181 5.172,1182 3.864,1183 3.64,1184 3.645,1185 3.675,1186 3.556,1187 5.05,1188 3.506,1189 3.401,1190 3.474,1191 3.345,1192 3.187,1193 4.688,1194 3.213,1195 3.261,1196 3.334,1197 3.168,1198 3.074,1199 4.545,1200 3.086,1201 3.057,1202 3.128,1203 2.933,1204 2.912,1205 4.322,1206 2.905,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.936,1212 2.715,1213 0.146,1214 0.157,1215 0.216,1216 0.129,1217 0.101,1218 4.804,1219 0.142,1220 5.18,1221 0.089,1222 7.112,1223 0.353,1224 4.245,1225 0.096,1226 3.323,1227 4.686,1228 2.95,1229 11.663,1230 3.164,1231 2.022,1232 2.019,1233 2.059,1234 2.103,1235 1.244,1236 2.108,1237 1.945,1238 1.936,1239 1.994,1240 2.008,1241 1.175,1242 2.034,1243 1.753,1244 1.745,1245 1.78,1246 1.89,1247 0.984,1248 1.886,1249 1.518,1250 1.498,1251 1.649,1252 1.746,1253 0.791,1254 1.751,1255 1.404,1256 1.324,1257 1.565,1258 1.642,1259 0.658,1260 1.634,1261 1.312,1262 1.237,1263 1.453,1264 1.585,1265 0.421,1266 1.571,1267 1.03,1268 0.979,1269 1.225,1270 1.212,1271 0.301,1272 1.218,1273 0.958,1274 0.878,1275 1.181,1276 1.186,1277 0.218,1278 1.207,1279 4.205,1281 5.587,1282 3.045,1283 7.159,1284 5.352,1285 8.814,1286 7.413,1287 10.516,1289 3.018,1305 31.379,1306 79.185,1307 171.443,1308 205.217,1309 222.869,1310 227.624,1311 227.624,1312 46.281,1313 8.155,1314 106.42,1315 114.8,1316 28,1317 12.92,1318 4.858,1319 4,1320 39.381,1321 103,1322 102,1323 0.187,1324 193.338,1325 311.31,1326 463.505,1327 39082,1329 20.173,1330 0.696,1331 0.568,1332 20.423,1333 16.473,1334 13.915,1335 0.422,1336 0.325,1337 8.877,1338 12.6,1339 8.453,1340 7.008,1341 14.809,1342 10.735,1343 13.705,1344 0.274,1345 0.177,1346 15.092,1347 8.85,1348 11.524,1349 0.167,1350 0.087,1351 12.28,1352 6.002,1353 9.922,1354 0.106,1355 0.043,1356 10.438,1357 4.016,1358 7.909,1359 0.066,1360 0.022,1361 8.266,1362 2.601,1363 0.285,1364 96.317,1365 0.213,1366 26.914,1367 0.537,1368 166,1369 502.89,1370 214.089,1371 513.902,1372 712.65,1373 476,1374 202,1375 522.92,1376 257.042,1377 562.599,1378 820.32,1379 526,1380 8.31}
{0 CHEMBL1257653,1 1.765,2 10.433,3 3.265,4 10.663,5 113.54,6 8.926,7 0.765,8 4.001,9 4.09,10 3.86,11 3.616,12 5.157,13 3.594,14 4.508,15 4.633,16 4.162,17 3.99,18 5.843,19 3.981,20 4.692,21 4.83,22 4.165,23 4.073,24 5.944,25 4.05,26 4.72,27 4.876,28 4.087,29 4.051,30 5.942,31 4.01,32 4.682,33 4.88,34 3.984,35 3.985,36 5.771,37 3.935,38 4.63,39 4.804,40 4.023,41 3.96,42 5.783,43 3.926,44 4.626,45 4.806,46 4.03,47 3.963,48 5.732,49 3.92,50 4.598,51 4.783,52 3.943,53 3.956,54 5.722,55 3.867,56 0.148,57 0.755,58 8.923,59 4.459,60 15.439,61 4.403,62 0.347,63 1.192,64 17.161,65 7.243,66 47.025,67 7.474,68 0.478,69 1.346,70 20.353,71 8.551,72 53.623,73 8.438,74 0.541,75 1.368,76 21.022,77 8.757,78 49.039,79 9.433,80 0.434,81 1.314,82 21.427,83 8.669,84 48.922,85 10.513,86 0.528,87 1.25,88 18.622,89 7.854,90 43.499,91 9.285,92 0.499,93 1.302,94 18.665,95 7.578,96 31.914,97 8.682,98 0.351,99 1.287,100 18.936,101 8.097,102 27.858,103 9.266,104 18,105 51,106 0.292,107 0.628,108 0.766,109 0.843,110 0.85,111 0.85,112 3.441,113 0.973,114 -4.11,115 -4.06,116 -3.84,119 44.7,124 2,142 8,143 3,144 3,145 2,146 1,152 1,161 1,166 1,168 1,172 6,174 2,175 10,180 2,183 8,186 1,187 10,192 2,195 6,198 3,199 11,204 1,207 6,211 1,212 7,215 1,217 1,220 7,223 2,224 10,232 3,236 2,237 10,240 2,242 1,245 7,249 1,250 5,253 1,258 6,263 2,268 2,271 4,275 1498,276 20.074,277 20.074,278 20.074,279 20.074,280 20.074,281 16.781,282 12.785,283 11.418,284 20.628,285 16.799,286 16.799,287 16.799,288 16.799,289 16.799,290 11.769,291 13.124,292 5.408,293 17.773,294 3.789,295 1.76,296 0.926,297 0.458,298 0.415,299 0.415,300 4.147,304 1,305 1,306 695,307 3.464,310 123.191,311 233.103,314 223.795,318 1.596,319 33.399,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65.5,331 313,332 4.801,333 5.18,334 7.111,335 4.208,336 3.314,337 4.661,338 2.95,339 11.657,340 3.143,341 4.677,342 3.332,343 6.777,344 4.177,345 3.238,346 4.642,347 0.86,348 11.154,349 2.961,350 4.51,351 3.086,352 6.62,353 4.022,354 3.047,355 4.453,357 10.559,358 2.836,359 3.931,360 2.878,361 5.758,362 3.486,363 2.557,364 3.465,366 7.801,367 2.371,368 3.823,369 2.616,370 5.692,371 3.381,372 2.413,373 3.341,375 7.651,376 2.327,377 3.593,378 2.425,379 5.272,380 3.123,381 2.165,382 3.029,384 6.542,385 2.063,386 3.085,387 2.229,388 4.66,389 2.56,390 1.605,391 2.333,393 4.702,394 1.531,395 3.054,396 1.557,397 4.592,398 2.538,399 1.554,400 2.309,402 4.625,403 1.52,404 3.037,405 1.541,406 4.346,407 2.504,408 1.537,409 2.292,411 3.76,412 1.482,413 2.729,414 1.473,415 4.068,416 2.256,417 1.298,418 1.825,420 3.59,421 1.238,422 2.5,423 1.111,424 3.775,425 2,426 1,427 1.5,428 2.612,429 1,430 2.5,431 1,432 3.414,433 1.97,434 1,435 1.5,436 2.275,437 0.968,438 2.423,439 1,440 3.403,441 1.931,442 0.996,443 1.392,445 2.23,446 0.927,447 1.95,448 0.917,449 3.151,450 1.436,451 0.468,452 0.688,454 1.201,455 0.452,456 1.408,457 0.474,458 3.021,459 0.999,460 0.096,461 0.121,463 0.258,464 0.086,465 14.333,466 0.478,467 0.946,468 0.032,469 45.25,470 1.508,471 25.5,472 0.85,473 19.75,474 0.658,475 21.27,476 0.709,477 30.667,478 0.652,479 35.323,480 1.177,481 8.799,482 0.293,483 5.599,484 0.187,485 0.116,486 0.058,487 0.342,493 0.575,494 1.093,495 0.756,496 1.095,497 0.668,498 0.839,499 0.875,500 1.083,501 0.936,502 1.004,503 0.601,504 0.795,505 1.403,506 1.028,507 1.058,508 0.974,509 1.231,510 0.965,511 1.128,512 1.08,513 1.039,514 1.039,515 1.007,516 1.098,517 0.828,518 0.908,519 0.717,520 0.855,521 0.815,522 0.945,523 0.833,524 1.062,525 0.707,526 0.83,527 0.356,528 0.923,529 0.942,530 0.949,531 0.833,532 0.8,533 0.48,534 0.928,535 0.786,536 1.087,537 1.066,538 1.087,539 0.621,540 1.176,541 7,542 0.265,543 4.222,544 2.132,545 1.47,546 1.122,547 0.751,548 0.604,549 0.361,550 0.287,551 11782,552 36841,553 2.136,554 36.2,556 14,558 2,559 1,564 1.732,565 1.989,566 3.338,567 -0.283,568 1,569 1,573 82.976,574 1.765,575 3.794,576 4.629,577 5.097,578 5.139,579 5.139,580 2.727,581 4.548,582 4.878,583 3.555,584 1546.61,585 8.528,586 20971,588 1,590 1,591 261.066,592 1.579,593 4.829,594 0.206,595 0.011,596 0.083,597 0.043,598 0.032,599 0.027,600 0.017,601 0.014,602 0.01,603 0.01,604 0.452,605 0.33,606 0.88,607 0.715,608 152.387,609 0.116,610 0.022,611 0.188,612 -0.043,613 -0.152,614 0.022,615 0.029,616 -0.016,617 -0.009,618 -0.012,619 0.22,620 0.088,621 -0.267,622 -0.03,623 -0.185,624 -0.036,625 -0.157,626 -0.075,627 -0.083,628 -0.102,629 -0.203,630 -0.134,631 -0.104,632 -0.182,633 -0.01,634 0.029,635 0.069,636 0.011,637 -0.075,638 0.047,639 0.1,640 -0.108,641 0.052,642 0.021,643 0.118,644 0.021,645 -0.034,646 0.069,647 -0.025,648 0.063,649 -0.009,650 -0.007,651 -0.073,652 -0.067,653 -0.145,654 -0.13,655 -0.016,656 -0.209,657 4.186,658 4.699,659 0.8,660 27.133,661 1.018,662 1.118,663 2.879,664 8.291,665 0.715,666 3.555,667 3.951,668 4.248,669 4.543,670 4.771,671 4.942,672 5.142,673 5.328,674 5.438,675 5.583,676 6.48,677 0.694,678 419.5,679 3.555,680 5.142,681 6.019,682 6.93,683 7.824,684 8.737,685 9.636,686 10.55,687 11.453,688 12.368,689 10.6,697 2,699 3,703 4,704 10,705 3,706 1,709 5,710 1,711 26,729 1,731 47,733 28,734 2,735 34,737 51,738 21,739 19,740 5,741 7,746 5,747 7,761 19,762 2,766 2,769 1,771 2,778 1,781 17,782 6,783 1,784 9,785 1,790 5,794 0.6,795 3,803 2,805 1,811 2,812 3,815 2,840 3,842 1,844 2,848 30,851 1,856 1,870 6.4,873 2,875 1,877 15.083,878 9.3,879 6.25,880 2.573,881 5.083,882 1.62,883 1.056,884 4.349,885 13.276,886 3.912,887 4.654,888 5.297,889 5.958,890 6.512,891 6.962,892 7.487,893 8.002,894 8.39,895 8.881,896 0.857,897 50,898 11.203,900 5.087,901 7.864,902 20.863,904 17.664,905 2.364,906 70.917,909 1,910 188.338,911 142.523,912 68.551,914 55.313,916 6.046,917 136.477,918 243.65,919 68.551,920 15.587,922 81.856,923 119.682,924 70.66,925 2.144,926 164.795,928 188.338,929 205.028,930 55.313,931 6.046,933 188.338,934 55.313,937 41.006,938 113.91,939 56.158,941 188.338,942 123.864,943 142.523,945 6.046,946 188.338,947 26.985,948 111.268,949 16.663,950 105.424,951 188.338,952 123.864,953 142.523,955 0.603,956 0.351,957 0.186,958 0.096,959 28,960 12,961 0.078,962 4,963 2,964 1.167,965 4.069,966 287.662,967 0.167,968 24,969 141.207,973 1,974 18.798,975 6.941,976 3.378,977 3.303,978 105.424,979 17.521,980 13.216,981 2.969,984 2.979,985 1.688,986 16.663,987 454.724,988 49,991 -3.27,993 23.397,999 47.869,1000 52.531,1001 0.318,1002 0.683,1003 0.833,1004 0.918,1005 0.925,1006 0.925,1007 5.168,1008 1.554,1009 6.057,1010 4.702,1011 4.635,1012 5.342,1013 2.99,1014 6.944,1015 4.525,1016 6.45,1017 1.537,1018 7.67,1019 4.625,1020 4.443,1021 5.46,1023 8.116,1024 4.214,1025 7.823,1026 1.298,1027 9.391,1028 3.76,1029 6.347,1030 7.766,1031 5.034,1032 11.17,1033 6.108,1034 9.238,1035 1,1036 11.175,1037 3.59,1038 6.957,1039 8.698,1041 13.128,1042 6.594,1043 10.685,1044 1,1045 13,1046 2.612,1047 8.382,1048 10.511,1049 7.185,1050 15.751,1051 7.999,1052 12.156,1053 0.996,1054 14.852,1055 2.275,1056 9.323,1057 11.785,1059 17.997,1060 8.829,1061 13.645,1062 0.468,1063 16.723,1064 2.23,1065 10.58,1066 13.419,1067 9.348,1068 20.488,1069 10.05,1070 3.314,1071 0.096,1072 18.608,1073 1.201,1074 11.657,1075 14.839,1077 22.843,1078 11.035,1079 3.238,1080 11.657,1081 20.503,1082 0.258,1083 12.856,1084 16.406,1085 11.511,1086 25.29,1087 12.185,1088 3.047,1089 11.154,1090 22.407,1091 4.661,1092 13.99,1093 17.887,1095 27.689,1096 13.24,1097 2.557,1098 10.559,1099 24.318,1100 4.642,1101 15.171,1102 19.429,1103 13.675,1104 30.123,1105 14.365,1106 2.413,1107 7.801,1108 26.233,1109 4.453,1110 16.329,1111 20.937,1113 32.539,1114 15.453,1115 2.165,1116 7.651,1117 28.154,1118 3.465,1119 17.506,1120 22.47,1121 15.838,1122 34.97,1123 16.571,1124 1.605,1125 6.542,1126 30.077,1127 3.341,1128 18.675,1129 23.989,1131 37.396,1132 17.675,1133 10991,1134 19597,1135 22.77,1136 33.608,1137 52.872,1138 54.654,1139 53.322,1140 52.686,1141 52.577,1142 75.103,1143 7.62,1144 161.235,1145 49.808,1146 5.581,1147 7.18,1148 6.666,1149 5.303,1150 5.314,1151 7.661,1152 5.9,1153 18.901,1154 5.143,1155 14.614,1156 1.555,1157 1.607,1158 1.568,1159 1.55,1160 1.546,1161 2.209,1162 0.224,1163 4.742,1164 1.465,1165 4.17,1166 4.204,1167 4.735,1168 4.1,1169 7.716,1170 4.075,1171 4.063,1172 4.071,1173 4.137,1174 4.038,1175 6.999,1176 3.974,1177 4.012,1178 4.024,1179 3.989,1180 3.871,1181 5.155,1182 3.889,1183 3.652,1184 3.642,1185 3.703,1186 3.573,1187 5.051,1188 3.513,1189 3.443,1190 3.509,1191 3.379,1192 3.247,1193 4.794,1194 3.27,1195 3.305,1196 3.371,1197 3.206,1198 3.135,1199 4.499,1200 3.142,1201 3.07,1202 3.136,1203 2.97,1204 2.915,1205 4.333,1206 2.916,1207 2.875,1208 2.937,1209 2.696,1210 2.735,1211 4.181,1212 2.715,1213 0.141,1214 0.152,1215 0.209,1216 0.124,1217 0.097,1218 4.801,1219 0.137,1220 5.18,1221 0.087,1222 7.111,1223 0.343,1224 4.208,1225 0.092,1226 3.314,1227 4.661,1228 2.95,1229 11.657,1230 3.143,1231 2.002,1232 1.996,1233 2.059,1234 2.09,1235 1.219,1236 2.089,1237 1.959,1238 1.963,1239 1.974,1240 2.016,1241 1.2,1242 2.053,1243 1.782,1244 1.763,1245 1.845,1246 1.908,1247 0.999,1248 1.897,1249 1.532,1250 1.541,1251 1.673,1252 1.748,1253 0.806,1254 1.743,1255 1.436,1256 1.345,1257 1.579,1258 1.658,1259 0.706,1260 1.689,1261 1.314,1262 1.241,1263 1.454,1264 1.62,1265 0.436,1266 1.579,1267 1.061,1268 1.015,1269 1.251,1270 1.235,1271 0.326,1272 1.251,1273 1.001,1274 0.933,1275 1.217,1276 1.186,1277 0.218,1278 1.208,1279 4.234,1281 5.609,1282 3.045,1283 7.169,1284 5.352,1285 8.813,1286 7.413,1287 10.502,1289 2.996,1297 6.117,1305 32.599,1306 82.976,1307 178.337,1308 217.556,1309 239.556,1310 241.556,1311 241.556,1312 48.715,1313 8.193,1314 102.76,1315 111.14,1316 28,1317 12.882,1318 4.858,1319 4,1320 41.464,1321 114,1322 116,1323 0.175,1324 200.132,1325 326.4,1326 480.083,1327 42457,1329 20.88,1330 0.696,1331 0.567,1332 21.13,1333 17.012,1334 14.398,1335 0.423,1336 0.324,1337 9.153,1338 13.019,1339 8.73,1340 7.235,1341 15.292,1342 11.023,1343 14.143,1344 0.277,1345 0.177,1346 15.53,1347 9.009,1348 11.715,1349 0.17,1350 0.087,1351 12.472,1352 6.036,1353 10.023,1354 0.108,1355 0.043,1356 10.539,1357 4.012,1358 7.943,1359 0.068,1360 0.022,1361 8.311,1362 2.579,1363 0.27,1364 99.624,1365 0.21,1366 27.946,1367 0.491,1368 170,1369 530.98,1370 220.187,1371 534.961,1372 739.61,1373 496,1374 205,1375 543.376,1376 261.863,1377 579.388,1378 842.36,1379 542,1380 6.728}
{0 CHEMBL1257716,1 1.624,2 15.158,3 3.398,4 11.544,5 140.768,6 7.767,7 0.419,8 4.318,9 4.437,10 3.929,11 3.813,12 5.418,13 3.822,14 4.893,15 5.062,16 4.3,17 4.225,18 5.965,19 4.208,20 5.161,21 5.378,22 4.339,23 4.376,24 6.147,25 4.323,26 5.166,27 5.414,28 4.264,29 4.29,30 6.204,31 4.23,32 5.054,33 5.292,34 4.27,35 4.206,36 6.182,37 4.187,38 4.943,39 5.125,40 4.287,41 4.258,42 6.011,43 4.237,44 5.077,45 5.269,46 4.309,47 4.415,48 6.081,49 4.353,50 5.271,51 5.486,52 4.259,53 4.533,54 6.244,55 4.395,56 0.079,57 1.06,58 12.706,59 5.423,60 12.378,61 7.055,62 0.609,63 1.717,64 26.466,65 9.566,66 42.458,67 12.488,68 0.653,69 2.094,70 37.608,71 11.984,72 53.31,73 17.063,74 0.63,75 2.066,76 39.462,77 11.549,78 68.404,79 17.255,80 0.817,81 1.869,82 35.379,83 8.95,84 84.693,85 13.498,86 0.475,87 1.826,88 27.668,89 9.067,90 41.704,91 12.36,92 0.614,93 2.028,94 31.917,95 11.37,96 45.943,97 15.678,98 0.495,99 2.228,100 40.569,101 18.003,102 83.177,103 24.583,104 6,105 60,106 0.255,107 0.583,108 0.71,109 0.777,110 0.796,111 0.801,112 3.668,113 0.893,114 -4.13,115 -4.07,116 -3.85,119 40.9,121 2,125 6,127 2,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 9,174 7,175 5,178 2,179 1,180 4,183 8,186 2,187 8,192 4,195 4,198 3,199 17,204 6,211 4,212 10,217 4,224 12,227 3,229 2,232 6,236 4,237 2,245 12,249 3,250 4,253 6,258 12,263 6,271 4,275 3094,276 26.419,277 26.419,278 26.419,279 26.419,280 26.419,281 24.141,282 39.119,283 15.632,284 27.18,285 21.234,286 21.234,287 21.234,288 21.234,289 21.234,290 17.612,291 59.25,292 7.419,293 22.492,294 4.42,295 2.331,296 1.515,297 1.091,298 0.97,299 0.939,300 4.388,306 1294,307 3.391,310 94.154,311 651.788,312 128.507,318 2.36,319 38.631,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 83,331 576,332 4.431,333 4.057,334 6.817,335 4.146,336 3.22,337 4.057,338 2.035,339 11.296,340 2.986,341 4.157,342 3.562,343 6.278,344 3.887,345 2.942,346 3.701,347 1.656,348 9.552,349 2.8,350 4.114,351 3.461,352 6.022,353 3.709,354 2.754,355 3.61,356 0.86,357 8.657,358 2.647,359 3.983,360 3.136,361 5.598,362 3.646,363 2.683,364 3.192,365 0.86,366 7.71,367 2.548,368 3.818,369 2.833,370 5.413,371 3.463,372 2.497,373 3.078,374 0.8,375 7.156,376 2.401,377 3.654,378 2.641,379 5.259,380 3.22,381 2.254,382 2.923,383 0.8,384 6.497,385 2.173,386 3.411,387 2.499,388 5.154,389 3.06,390 2.121,391 2.571,392 0.247,393 6.349,394 1.983,395 3.294,396 2.322,397 5.086,398 2.851,399 1.879,400 2.449,402 5.839,403 1.822,404 2.939,405 2.258,406 4.635,407 2.817,408 1.824,409 2.003,411 4.96,412 1.8,413 2.917,414 2.195,415 4.487,416 2.646,417 1.749,418 1.879,420 4.492,421 1.562,422 2.879,423 2.016,424 4.202,425 2.288,426 1.37,427 1.822,428 3.72,429 1.255,430 2.742,431 1.883,432 3.853,433 2.166,434 1.281,435 1.5,436 2.871,437 1.12,438 2.5,439 1.513,440 3.532,441 2,442 1.053,443 1.5,445 2.608,446 1,447 2.5,448 1.277,449 3.488,450 2,451 1,452 1.32,454 2.275,455 1,456 2.323,457 1.256,458 3.414,459 1.952,460 1,461 1.177,463 2.275,464 0.946,465 17.7,466 0.466,467 0.773,468 0.02,469 51.5,470 1.355,471 24.5,472 0.645,473 27,474 0.711,475 33.039,476 0.869,477 40.5,478 0.614,479 41.196,480 1.084,481 9.829,482 0.259,483 8.828,484 0.232,485 0.041,487 0.328,493 0.859,494 1.503,495 0.729,496 1.176,497 0.548,498 0.964,499 1.024,500 0.979,501 0.935,502 0.965,503 0.558,504 0.953,505 1.069,506 1.153,507 1.015,508 1.004,509 0.766,510 0.998,511 0.978,512 1.143,513 0.967,514 0.992,515 0.9,516 0.967,517 1.217,518 0.898,519 0.953,520 0.664,521 1.358,522 0.715,523 1.17,524 1.151,525 1.084,526 1.025,527 1.053,528 1.021,529 0.874,530 0.931,531 1.169,532 1.038,533 0.638,534 1.117,535 0.361,536 1.076,537 1.061,538 1.471,539 0.323,540 1.428,541 7,542 0.136,543 3.556,544 1.938,545 1.37,546 1.444,547 0.968,548 0.398,549 0.304,550 0.347,551 25688,552 68908,553 2.192,554 42.4,556 22,559 2,561 4,564 1.787,565 2.111,566 3.771,567 0.201,573 107.187,574 1.624,575 3.714,576 4.529,577 4.953,578 5.075,579 5.105,580 3.231,581 4.564,582 5.214,583 4.031,584 2834.14,585 9.184,586 48236.6,591 398.93,592 1.167,593 5.205,594 0.163,595 0.004,596 0.059,597 0.032,598 0.025,599 0.025,600 0.016,601 0.007,602 0.006,603 0.009,604 0.346,605 0.33,606 0.63,607 0.5,608 212.765,609 -0.062,610 -0.297,611 0.071,612 -0.123,613 0.021,614 -0.02,615 0.069,616 0.134,617 -0.023,618 0.024,619 0.075,620 -0.026,621 -0.102,622 -0.125,623 -0.053,624 -0.029,625 -0.024,626 -0.032,627 -0.066,628 -0.137,629 0.03,630 -0.052,631 -0.01,632 -0.001,633 -0.1,634 0.16,635 0.058,636 0.227,637 -0.111,638 0.193,639 -0.194,640 -0.005,641 -0.181,642 -0.067,643 -0.139,644 -0.109,645 -0.078,646 0.188,647 -0.281,648 -0.042,649 -0.049,650 -0.161,651 0.243,652 -0.125,653 -0.151,654 -0.37,655 0.243,656 -0.35,657 2.04,658 5.446,659 0.842,660 49.316,661 1.01,662 1.133,663 2.897,664 8.394,665 0.667,666 3.784,667 4.111,668 4.407,669 4.7,670 4.956,671 5.069,672 5.252,673 5.416,674 5.572,675 5.733,676 8.73,677 0.645,678 512.63,679 3.784,680 5.333,681 6.192,682 7.074,683 7.948,684 8.837,685 9.719,686 10.613,687 11.501,688 12.398,689 12.1,695 2,696 2,698 1,699 3,702 1,704 8,705 3,709 7,711 18,713 1,726 2,731 66,733 20,734 2,735 43,737 71,738 27,739 15,740 4,741 8,746 6,747 7,751 1,755 4,758 4,760 1,761 16,762 10,766 1,771 1,775 1,781 28,782 11,783 2,784 11,790 8,794 0.833,795 3,808 1,811 1,812 5,813 1,839 2,840 5,848 38,854 8,855 2,856 2,858 2,859 2,861 1,866 1,868 1,870 4.5,873 1,874 2,877 18,878 11.783,879 8.306,880 4.061,881 3.411,882 1.393,883 0.998,884 7.172,885 12.082,886 4.025,887 4.549,888 5.089,889 5.641,890 6.182,891 6.457,892 6.878,893 7.237,894 7.536,895 7.922,896 0.9,897 61,898 14.065,900 6.09,901 7.724,902 27.017,904 22.715,905 2.224,906 84.5,910 306.049,911 142.348,912 123.686,914 47.145,917 142.348,918 353.193,919 123.686,921 63.672,922 75.81,923 114.103,924 51.521,925 8.074,926 306.049,928 306.049,929 266.034,930 47.145,933 261.292,934 72.229,935 22,937 98.529,938 114.821,939 50.357,941 306.049,942 170.831,943 142.348,946 306.049,947 49.937,948 82.059,949 52.623,950 128.561,951 306.049,952 170.831,953 142.348,955 0.578,956 0.34,957 0.188,958 0.103,959 30,960 12,961 0.07,962 5,963 2,964 1.094,965 4.935,966 381.638,967 0.125,968 31,969 181.421,974 24.723,975 11.024,976 5.503,978 170.831,979 14.12,980 14.602,984 4.542,986 36.022,987 619.228,988 55,993 12.446,997 -0.373,999 66.632,1000 74.767,1001 0.269,1002 0.614,1003 0.749,1004 0.82,1005 0.84,1006 0.845,1007 5.286,1008 1.879,1009 6.163,1010 6.349,1011 4.796,1012 5.236,1013 2.942,1014 6.965,1015 4.686,1016 6.46,1017 1.824,1018 7.708,1019 5.839,1020 4.29,1021 4.879,1022 1.404,1023 7.82,1024 4.14,1025 7.746,1026 1.749,1027 9.351,1028 4.96,1029 6.378,1030 7.308,1031 3.883,1032 10.931,1033 6.161,1034 9.06,1035 1.37,1036 11.052,1037 4.492,1038 6.711,1039 7.76,1040 2.382,1041 12.654,1042 6.438,1043 10.406,1044 1.281,1045 12.794,1046 3.72,1047 8.233,1048 9.657,1049 5.134,1050 15.272,1051 7.899,1052 11.772,1053 1.053,1054 14.563,1055 2.871,1056 8.969,1057 10.498,1058 3.421,1059 17.377,1060 8.567,1061 13.154,1062 1,1063 16.355,1064 2.608,1065 10.253,1066 12.155,1067 6.481,1068 19.836,1069 9.791,1070 3.22,1071 1,1072 18.164,1073 2.275,1074 11.191,1075 13.21,1076 4.467,1077 22.11,1078 10.654,1079 2.942,1080 11.296,1081 19.987,1082 2.275,1083 12.377,1084 14.741,1085 7.863,1086 24.522,1087 11.776,1088 2.754,1089 9.552,1090 21.822,1091 4.057,1092 13.415,1093 15.923,1094 5.504,1095 26.872,1096 12.736,1097 2.683,1098 8.657,1099 23.667,1100 3.701,1101 14.564,1102 17.385,1103 9.26,1104 29.275,1105 13.816,1106 2.497,1107 7.71,1108 25.521,1109 3.61,1110 15.653,1111 18.644,1112 6.531,1113 31.658,1114 14.826,1115 2.254,1116 7.156,1117 27.382,1118 3.192,1119 16.791,1120 20.068,1121 10.666,1122 34.064,1123 15.892,1124 2.121,1125 6.497,1126 29.25,1127 3.078,1128 17.906,1129 21.375,1130 7.551,1131 36.464,1132 16.928,1133 23500,1134 38650,1135 29.819,1136 44.023,1137 65.751,1138 68.421,1139 65.387,1140 64.178,1141 64.186,1142 79.661,1143 14.516,1144 183.527,1145 60.673,1146 5.431,1147 6.057,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 4.069,1153 18.266,1154 4.986,1155 12.474,1156 1.529,1157 1.591,1158 1.521,1159 1.493,1160 1.493,1161 1.853,1162 0.338,1163 4.268,1164 1.411,1165 4.041,1166 4.091,1167 3.994,1168 3.91,1169 7.431,1170 3.92,1171 3.929,1172 3.966,1173 3.874,1174 3.843,1175 6.82,1176 3.844,1177 3.894,1178 3.93,1179 3.821,1180 3.776,1181 5.078,1182 3.783,1183 3.793,1184 3.848,1185 3.704,1186 3.579,1187 4.726,1188 3.604,1189 3.581,1190 3.637,1191 3.511,1192 3.35,1193 4.691,1194 3.385,1195 3.421,1196 3.466,1197 3.378,1198 3.169,1199 4.631,1200 3.216,1201 3.144,1202 3.206,1203 3.106,1204 2.951,1205 4.595,1206 2.978,1207 3.136,1208 3.206,1209 2.955,1210 2.941,1211 4.074,1212 2.926,1213 0.103,1214 0.094,1215 0.159,1216 0.096,1217 0.075,1218 4.431,1219 0.094,1220 4.057,1221 0.047,1222 6.817,1223 0.263,1224 4.146,1225 0.069,1226 3.22,1227 4.057,1228 2.035,1229 11.296,1230 2.986,1231 1.933,1232 1.903,1233 2.022,1234 2.075,1235 1.255,1236 2.053,1237 1.9,1238 1.873,1239 1.996,1240 2.006,1241 1.208,1242 2.001,1243 1.748,1244 1.693,1245 1.92,1246 1.948,1247 1.187,1248 1.947,1249 1.662,1250 1.608,1251 1.86,1252 1.904,1253 1.101,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.068,1260 1.798,1261 1.442,1262 1.391,1263 1.535,1264 1.703,1265 0.825,1266 1.664,1267 1.281,1268 1.236,1269 1.513,1270 1.563,1271 0.514,1272 1.516,1273 1.153,1274 1.064,1275 1.382,1276 1.376,1277 0.496,1278 1.429,1279 4.466,1281 5.79,1282 2.398,1283 7.311,1284 4.844,1285 8.919,1286 6.986,1287 10.572,1295 6.276,1296 5.597,1297 11.297,1299 0.561,1300 4.45,1303 8.922,1304 2.058,1305 42.584,1306 107.187,1307 245.116,1308 298.93,1309 326.93,1310 334.93,1311 336.93,1312 60.14,1313 8.67,1314 128.53,1315 128.53,1316 35,1317 12.924,1318 4.392,1319 3.7,1320 53.207,1321 195,1322 252,1323 0.128,1324 256.618,1325 451.49,1326 617.907,1327 80371,1329 25.899,1330 0.682,1331 0.548,1332 25.899,1333 20.838,1334 18.657,1335 0.434,1336 0.298,1337 12.564,1338 17.776,1339 12.398,1340 10.136,1341 18.657,1342 12.796,1343 16.644,1344 0.277,1345 0.159,1346 16.644,1347 9.534,1348 14.397,1349 0.178,1350 0.087,1351 14.397,1352 7.05,1353 12.434,1354 0.114,1355 0.047,1356 12.434,1357 5.082,1358 10.26,1359 0.073,1360 0.024,1361 10.26,1362 3.432,1363 0.205,1364 117.991,1365 0.183,1366 34.792,1367 0.339,1368 206,1369 617.743,1370 230.984,1371 590.425,1372 811.03,1373 556,1374 244,1375 597.613,1376 269.514,1377 600.83,1378 884.83,1379 566,1380 7.066}
{0 CHEMBL1257839,1 1.582,2 14.378,3 4.005,4 16.04,5 140.071,6 7.377,7 0.429,8 4.34,9 4.464,10 3.911,11 3.824,12 5.373,13 3.823,14 4.925,15 5.104,16 4.288,17 4.239,18 5.954,19 4.212,20 5.18,21 5.399,22 4.315,23 4.389,24 6.114,25 4.324,26 5.202,27 5.458,28 4.236,29 4.309,30 6.163,31 4.231,32 5.084,33 5.332,34 4.255,35 4.219,36 6.157,37 4.187,38 4.957,39 5.143,40 4.272,41 4.262,42 5.989,43 4.237,44 5.097,45 5.296,46 4.295,47 4.424,48 6.051,49 4.354,50 5.292,51 5.51,52 4.226,53 4.539,54 6.185,55 4.396,56 0.046,57 1.072,58 14.434,59 5.772,60 8.274,61 7.903,62 0.585,63 1.742,64 29.312,65 10.113,66 42.643,67 13.848,68 0.572,69 2.106,70 39.542,71 12.331,72 46.003,73 18.244,74 0.548,75 2.083,76 42.029,77 12.2,78 58.118,79 18.892,80 0.756,81 1.88,82 37.627,83 9.409,84 77.648,85 14.954,86 0.423,87 1.835,88 29.961,89 9.085,90 38.238,91 13.208,92 0.569,93 2.04,94 34.672,95 11.956,96 40.825,97 17.195,98 0.45,99 2.239,100 43.197,101 18.206,102 63.463,103 25.07,104 5,105 59,106 0.248,107 0.56,108 0.713,109 0.778,110 0.796,111 0.801,112 3.642,113 0.916,114 -4.92,115 -4.83,116 -4.53,119 39.7,120 1,121 2,125 6,127 2,142 8,143 2,144 2,149 1,150 2,159 1,172 10,174 7,175 4,178 2,179 1,180 4,183 10,186 2,187 6,192 4,195 6,198 3,199 15,204 6,211 4,212 10,217 5,224 12,227 2,229 2,232 6,236 4,237 3,242 1,245 12,249 2,250 4,253 5,258 12,263 6,271 6,275 2876,276 25.549,277 25.549,278 25.549,279 25.549,280 25.549,281 23.31,282 38.22,283 15.134,284 26.3,285 20.807,286 20.807,287 20.807,288 20.807,289 20.807,290 17.373,291 58.377,292 7.28,293 22.044,294 4.505,295 2.515,296 1.541,297 1.129,298 1.011,299 0.982,300 4.362,305 1,306 1199,307 3.24,310 90.346,311 627.649,312 123.357,318 2.273,319 33.252,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 80.5,331 532,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.155,342 3.461,343 6.278,344 3.887,345 2.942,346 3.64,347 0.86,348 9.552,349 2.8,350 4.052,351 3.136,352 6.022,353 3.703,354 2.751,355 3.6,356 0.86,357 8.657,358 2.627,359 3.971,360 2.833,361 5.583,362 3.633,363 2.669,364 3.189,365 0.8,366 7.674,367 2.542,368 3.772,369 2.698,370 5.37,371 3.441,372 2.474,373 3.059,374 0.8,375 7.042,376 2.383,377 3.537,378 2.502,379 5.251,380 3.178,381 2.213,382 2.816,383 0.247,384 6.425,385 2.134,386 3.366,387 2.326,388 5.086,389 3.047,390 2.1,391 2.544,393 5.877,394 1.974,395 3.217,396 2.258,397 4.958,398 2.851,399 1.879,400 2.408,402 5.839,403 1.822,404 2.926,405 2.241,406 4.608,407 2.792,408 1.8,409 2.003,411 4.889,412 1.777,413 2.879,414 2.016,415 4.483,416 2.645,417 1.746,418 1.879,420 4.487,421 1.562,422 2.743,423 1.883,424 4.202,425 2.287,426 1.369,427 1.821,428 3.718,429 1.254,430 2.5,431 1.513,432 3.853,433 2.166,434 1.281,435 1.5,436 2.871,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.608,446 1,447 2.323,448 1.256,449 3.488,450 2,451 1,452 1.32,454 2.275,455 1,456 2.2,457 1,458 3.414,459 1.952,460 1,461 1.176,463 2.275,464 0.946,465 17.3,466 0.468,467 0.811,468 0.022,469 47.75,470 1.291,471 21.5,472 0.581,473 26.25,474 0.709,475 33.856,476 0.915,477 40.3,478 0.593,479 37.918,480 1.025,481 9.155,482 0.247,483 8.965,484 0.242,485 0.048,487 0.335,493 0.865,494 1.546,495 0.774,496 1.212,497 0.646,498 1.008,499 1.026,500 0.993,501 0.931,502 0.963,503 0.65,504 0.947,505 1.085,506 1.193,507 1.043,508 1.039,509 0.919,510 1.03,511 0.941,512 1.153,513 0.947,514 0.999,515 0.91,516 0.966,517 1.187,518 0.907,519 0.911,520 0.665,521 1.521,522 0.703,523 1.268,524 1.186,525 1.114,526 1.005,527 1.378,528 1.007,529 0.872,530 0.954,531 1.149,532 1.035,533 0.708,534 1.101,535 0.526,536 1.1,537 1.115,538 1.43,539 0.721,540 1.398,541 7,542 0.136,543 3.556,544 1.938,545 1.33,546 1.382,547 0.968,548 0.366,549 0.304,550 0.347,551 23713,552 56651,553 2.197,554 45.6,555 3,556 22,559 2,561 4,564 1.781,565 2.114,566 3.709,567 0.189,573 107.579,574 1.582,575 3.573,576 4.547,577 4.959,578 5.076,579 5.106,580 3.181,581 4.615,582 5.176,583 3.965,584 2640.36,585 9.113,586 43785.6,591 413.947,592 1.181,593 5.165,594 0.167,595 0.005,596 0.06,597 0.033,598 0.025,599 0.025,600 0.017,601 0.006,602 0.006,603 0.009,604 0.352,605 0.17,606 0.63,607 0.368,608 204.87,609 -0.045,610 -0.303,611 0.08,612 -0.121,613 -0.021,614 -0.018,615 0.1,616 0.141,617 0.015,618 0.038,619 0.119,620 0.001,621 -0.096,622 -0.135,623 -0.078,624 -0.059,625 -0.061,626 -0.066,627 -0.034,628 -0.141,629 0.044,630 -0.059,631 0.02,632 -0.004,633 -0.051,634 0.158,635 0.106,636 0.225,637 -0.051,638 0.207,639 -0.225,640 0.003,641 -0.176,642 -0.043,643 -0.199,644 -0.086,645 -0.055,646 0.191,647 -0.235,648 -0.025,649 -0.054,650 -0.129,651 0.139,652 -0.117,653 -0.205,654 -0.335,655 0.066,656 -0.337,657 1.962,658 5.442,659 0.865,660 46.602,661 1.004,662 1.134,663 3.693,664 13.64,665 0.655,666 3.761,667 4.094,668 4.382,669 4.682,670 4.942,671 5.043,672 5.231,673 5.398,674 5.565,675 5.72,676 8.402,677 0.627,678 501.65,679 3.761,680 5.313,681 6.172,682 7.055,683 7.929,684 8.819,685 9.701,686 10.595,687 11.484,688 12.381,689 10.3,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 68,733 19,734 2,735 42,737 73,738 27,739 15,740 4,741 8,746 6,747 7,751 1,752 1,755 4,758 4,761 16,762 11,766 1,771 1,775 1,781 31,782 10,783 2,784 10,790 7,794 0.833,795 3,808 1,811 1,812 5,813 1,839 2,840 5,844 1,848 37,854 8,855 2,856 2,858 2,859 2,870 4.4,873 1,874 2,877 17.5,878 12.333,879 7.972,880 4.199,881 3.19,882 1.371,883 1,884 7.028,885 11.791,886 3.97,887 4.516,888 5.032,889 5.591,890 6.139,891 6.375,892 6.808,893 7.192,894 7.525,895 7.9,896 1,897 59,898 13.733,900 5.93,901 7.608,902 26.683,904 22.514,905 2.108,906 78,910 341.362,911 134.572,912 92.627,914 47.145,917 134.572,918 388.507,919 92.627,920 8.825,921 63.672,922 75.81,923 97.501,924 20.461,925 8.074,926 341.362,928 341.362,929 227.198,930 47.145,933 296.605,934 72.229,935 22,937 76.295,938 98.219,939 50.357,941 341.362,942 139.771,943 134.572,946 341.362,947 49.937,948 90.884,949 36.022,950 97.501,951 341.362,952 139.771,953 134.572,955 0.582,956 0.336,957 0.187,958 0.105,959 30,960 12,961 0.068,962 5,963 2,964 1.094,965 4.848,966 370.377,967 0.125,968 31,969 174.75,974 24.257,975 10.72,976 5.456,978 139.771,979 15.254,980 14.646,984 5.431,986 36.022,987 615.705,988 52,993 12.442,997 -0.295,999 68.298,1000 77.099,1001 0.26,1002 0.587,1003 0.747,1004 0.815,1005 0.834,1006 0.839,1007 5.228,1008 1.879,1009 6.146,1010 5.877,1011 4.779,1012 5.204,1013 2.368,1014 6.948,1015 4.67,1016 6.397,1017 1.8,1018 7.691,1019 5.839,1020 4.29,1021 4.879,1022 1.404,1023 7.799,1024 4.14,1025 7.682,1026 1.746,1027 9.333,1028 4.889,1029 6.361,1030 7.271,1031 2.66,1032 10.914,1033 6.142,1034 8.996,1035 1.369,1036 11.034,1037 4.487,1038 6.698,1039 7.73,1040 2.382,1041 12.636,1042 6.424,1043 10.341,1044 1.281,1045 12.775,1046 3.718,1047 8.216,1048 9.617,1049 3.324,1050 15.26,1051 7.879,1052 11.707,1053 1.053,1054 14.545,1055 2.871,1056 8.955,1057 10.456,1058 3.421,1059 17.367,1060 8.548,1061 13.089,1062 1,1063 16.337,1064 2.608,1065 10.238,1066 12.112,1067 4.179,1068 19.829,1069 9.77,1070 3.22,1071 1,1072 18.147,1073 2.275,1074 11.178,1075 13.163,1076 4.467,1077 22.105,1078 10.634,1079 2.942,1080 11.296,1081 19.972,1082 2.275,1083 12.364,1084 14.696,1085 5.118,1086 24.519,1087 11.756,1088 2.751,1089 9.552,1090 21.808,1091 4.057,1092 13.404,1093 15.874,1094 5.504,1095 26.869,1096 12.717,1097 2.669,1098 8.657,1099 23.655,1100 3.64,1101 14.553,1102 17.339,1103 6.093,1104 29.273,1105 13.797,1106 2.474,1107 7.674,1108 25.51,1109 3.6,1110 15.644,1111 18.595,1112 6.531,1113 31.657,1114 14.808,1115 2.213,1116 7.042,1117 27.373,1118 3.189,1119 16.782,1120 20.022,1121 7.084,1122 34.063,1123 15.874,1124 2.1,1125 6.425,1126 29.242,1127 3.059,1128 17.899,1129 21.327,1130 7.551,1131 36.463,1132 16.911,1133 21608,1134 33571,1135 29.126,1136 44.54,1137 63.417,1138 64.539,1139 64.029,1140 62.986,1141 63.005,1142 77.248,1143 10.446,1144 180.635,1145 59.571,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 12.197,1156 1.51,1157 1.537,1158 1.524,1159 1.5,1160 1.5,1161 1.839,1162 0.249,1163 4.301,1164 1.418,1165 4.041,1166 4.091,1167 3.994,1168 3.911,1169 7.431,1170 3.92,1171 3.929,1172 3.968,1173 3.864,1174 3.843,1175 5.078,1176 3.841,1177 3.894,1178 3.931,1179 3.819,1180 3.776,1181 4.762,1182 3.783,1183 3.793,1184 3.848,1185 3.704,1186 3.579,1187 4.699,1188 3.604,1189 3.581,1190 3.637,1191 3.508,1192 3.35,1193 4.631,1194 3.384,1195 3.42,1196 3.47,1197 3.357,1198 3.167,1199 4.596,1200 3.204,1201 3.144,1202 3.206,1203 2.974,1204 2.951,1205 4.082,1206 2.941,1207 3.126,1208 3.206,1209 2.954,1210 2.941,1211 4.061,1212 2.926,1213 0.105,1214 0.085,1215 0.162,1216 0.099,1217 0.077,1218 4.431,1219 0.097,1220 3.562,1221 0.039,1222 6.817,1223 0.269,1224 4.146,1225 0.071,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.934,1232 1.904,1233 2.04,1234 2.075,1235 1.255,1236 2.054,1237 1.908,1238 1.878,1239 2.013,1240 2.015,1241 1.208,1242 2.018,1243 1.748,1244 1.693,1245 1.921,1246 1.951,1247 1.187,1248 1.949,1249 1.662,1250 1.608,1251 1.86,1252 1.904,1253 1.132,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.097,1260 1.798,1261 1.443,1262 1.391,1263 1.571,1264 1.706,1265 0.825,1266 1.668,1267 1.31,1268 1.252,1269 1.521,1270 1.583,1271 0.623,1272 1.56,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.511,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.294,1284 4.844,1285 8.902,1286 6.986,1287 10.556,1289 2.01,1295 6.391,1296 5.734,1297 11.313,1299 0.593,1300 4.482,1305 42.616,1306 107.579,1307 242.954,1308 309.193,1309 337.193,1310 345.193,1311 347.193,1312 54.908,1313 8.601,1314 104.74,1315 104.74,1316 35,1317 12.907,1318 4.322,1319 3.459,1320 51.101,1321 182,1322 228,1323 0.131,1324 255.678,1325 445.77,1326 615.615,1327 73022,1329 25.192,1330 0.681,1331 0.565,1332 25.192,1333 20.891,1334 18.119,1335 0.431,1336 0.305,1337 12.598,1338 17.282,1339 12.369,1340 10.144,1341 18.119,1342 12.822,1343 16.474,1344 0.279,1345 0.165,1346 16.474,1347 9.711,1348 13.989,1349 0.177,1350 0.09,1351 13.989,1352 7.087,1353 12.123,1354 0.113,1355 0.048,1356 12.123,1357 5.091,1358 10.162,1359 0.073,1360 0.025,1361 10.162,1362 3.484,1363 0.209,1364 114.409,1365 0.185,1366 33.962,1367 0.351,1368 202,1369 574.098,1370 226.29,1371 545.368,1372 756.91,1373 516,1374 239,1375 564.205,1376 263.848,1377 566.643,1378 838.23,1379 534,1380 7.161}
{0 CHEMBL1257840,1 1.696,2 14.378,3 3.724,4 13.87,5 135.246,6 7.779,7 0.429,8 4.308,9 4.428,10 3.918,11 3.783,12 5.391,13 3.798,14 4.891,15 5.061,16 4.3,17 4.195,18 5.995,19 4.186,20 5.158,21 5.377,22 4.325,23 4.335,24 6.166,25 4.291,26 5.148,27 5.396,28 4.238,29 4.249,30 6.171,31 4.194,32 5.036,33 5.274,34 4.261,35 4.183,36 6.165,37 4.165,38 4.94,39 5.122,40 4.277,41 4.239,42 6.01,43 4.222,44 5.07,45 5.262,46 4.311,47 4.396,48 6.161,49 4.334,50 5.261,51 5.477,52 4.226,53 4.515,54 6.159,55 4.376,56 0.114,57 1.098,58 12.69,59 5.473,60 10.017,61 7.073,62 0.655,63 1.768,64 26.647,65 9.591,66 45.851,67 12.423,68 0.798,69 2.133,70 38.275,71 11.793,72 63.516,73 16.636,74 0.752,75 2.02,76 39.354,77 11.234,78 69.6,79 16.772,80 0.916,81 1.822,82 34.892,83 8.716,84 83.816,85 13.476,86 0.543,87 1.849,88 27.881,89 9.059,90 43.915,91 12.366,92 0.842,93 2.048,94 32.088,95 11.426,96 76.663,97 15.837,98 0.527,99 2.224,100 40.438,101 18.011,102 62.362,103 24.41,104 5,105 59,106 0.268,107 0.578,108 0.709,109 0.777,110 0.797,111 0.802,112 3.642,113 0.894,114 -4.82,115 -4.73,116 -4.44,119 40,121 2,125 6,127 2,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 4,178 2,179 1,180 4,183 6,186 2,187 6,192 4,195 4,198 3,199 15,204 5,211 4,212 10,217 4,224 11,227 2,229 1,232 6,236 4,237 2,245 12,249 2,250 4,253 5,258 10,263 6,271 2,275 2876,276 25.549,277 25.549,278 25.549,279 25.549,280 25.549,281 23.31,282 37.422,283 15.134,284 26.363,285 20.807,286 20.807,287 20.807,288 20.807,289 20.807,290 17.373,291 57.569,292 7.28,293 22.169,294 4.327,295 2.366,296 1.538,297 1.108,298 0.985,299 0.954,300 4.362,305 1,306 1199,307 3.24,310 90.346,311 627.649,312 123.357,318 2.273,319 42.38,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 82,331 532,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.155,342 3.461,343 6.278,344 3.887,345 2.942,346 3.64,347 0.86,348 9.552,349 2.8,350 4.052,351 3.136,352 6.022,353 3.7,354 2.751,355 3.6,356 0.86,357 8.657,358 2.604,359 3.971,360 2.917,361 5.583,362 3.625,363 2.669,364 3.189,365 0.8,366 7.674,367 2.529,368 3.772,369 2.831,370 5.37,371 3.43,372 2.474,373 3.059,374 0.8,375 7.042,376 2.356,377 3.537,378 2.512,379 5.251,380 3.156,381 2.213,382 2.816,383 0.247,384 6.425,385 2.078,386 3.366,387 2.39,388 5.086,389 3.035,390 2.1,391 2.544,393 5.877,394 1.954,395 3.217,396 2.31,397 4.958,398 2.851,399 1.879,400 2.408,402 5.839,403 1.822,404 2.926,405 2.258,406 4.608,407 2.775,408 1.8,409 2.003,411 4.889,412 1.735,413 2.879,414 2.016,415 4.483,416 2.645,417 1.746,418 1.879,420 4.487,421 1.562,422 2.743,423 1.883,424 4.202,425 2.287,426 1.369,427 1.821,428 3.718,429 1.254,430 2.5,431 1.513,432 3.853,433 2.166,434 1.281,435 1.5,436 2.871,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.608,446 1,447 2.323,448 1.256,449 3.488,450 2,451 1,452 1.32,454 2.275,455 1,456 2.2,457 1,458 3.414,459 1.952,460 1,461 1.176,463 2.275,464 0.946,465 17.086,466 0.462,467 0.811,468 0.022,469 48,470 1.297,471 21.5,472 0.581,473 26.5,474 0.716,475 32.932,476 0.89,477 40.514,478 0.623,479 38.842,480 1.05,481 9.318,482 0.252,483 8.802,484 0.238,485 0.036,487 0.339,491 1,493 0.774,494 1.406,495 0.716,496 1.201,497 0.56,498 0.985,499 0.918,500 0.98,501 0.91,502 0.995,503 0.576,504 0.97,505 1.044,506 1.112,507 1.022,508 0.996,509 0.866,510 0.996,511 0.91,512 1.054,513 0.955,514 0.975,515 0.815,516 0.961,517 0.937,518 0.759,519 0.9,520 0.655,521 0.984,522 0.715,523 1.049,524 1.085,525 1.07,526 1.02,527 1.008,528 1.023,529 0.653,530 0.8,531 1.118,532 1.015,533 0.429,534 1.123,535 0.371,536 0.992,537 1.041,538 1.464,539 0.377,540 1.442,541 7,542 0.136,543 3.556,544 1.938,545 1.33,546 1.382,547 0.968,548 0.366,549 0.304,550 0.347,551 23713,552 65345,553 2.197,554 43.1,556 22,559 2,561 4,564 1.781,565 2.114,566 3.709,567 0.216,573 110.23,574 1.696,575 3.656,576 4.484,577 4.915,578 5.038,579 5.069,580 3.181,581 4.615,582 5.176,583 3.965,584 2640.36,585 9.113,586 43785.6,591 391.454,592 1.181,593 5.165,594 0.167,595 0.005,596 0.06,597 0.033,598 0.025,599 0.025,600 0.017,601 0.006,602 0.006,603 0.009,604 0.352,605 0.17,606 0.63,607 0.368,608 204.87,609 -0.061,610 -0.271,611 0.068,612 -0.126,613 -0.02,614 -0.02,615 0.036,616 0.062,617 -0.016,618 -0.003,619 0.076,620 -0.036,621 -0.117,622 -0.118,623 -0.066,624 -0.028,625 -0.047,626 -0.034,627 -0.074,628 -0.118,629 0.024,630 -0.044,631 -0.025,632 0.004,633 -0.036,634 0.165,635 0.076,636 0.226,637 -0.042,638 0.198,639 -0.197,640 -0.023,641 -0.187,642 -0.054,643 -0.149,644 -0.1,645 0.057,646 0.237,647 -0.252,648 -0.013,649 0.125,650 -0.158,651 0.16,652 -0.109,653 -0.161,654 -0.361,655 0.09,656 -0.352,657 2.084,658 5.348,659 0.865,660 46.602,661 1.014,662 1.139,663 3.593,664 12.91,665 0.657,666 3.761,667 4.094,668 4.382,669 4.682,670 4.942,671 5.043,672 5.231,673 5.398,674 5.565,675 5.72,676 8.402,677 0.638,678 505.61,679 3.761,680 5.313,681 6.172,682 7.055,683 7.929,684 8.819,685 9.701,686 10.595,687 11.484,688 12.381,689 10.8,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,730 1,731 65,733 19,734 2,735 42,737 70,738 26,739 15,740 4,741 8,746 6,747 7,751 1,755 4,758 4,761 16,762 10,766 1,771 1,775 1,779 1,781 28,782 11,783 2,784 11,790 7,794 0.833,795 3,808 1,811 1,812 5,813 1,839 2,840 5,846 1,848 37,854 8,855 2,856 2,858 2,859 2,869 1,870 4.6,873 1,874 2,877 17.5,878 11.476,879 7.972,880 3.984,881 3.19,882 1.371,883 1.005,884 6.984,885 11.791,886 3.97,887 4.516,888 5.032,889 5.591,890 6.139,891 6.375,892 6.808,893 7.192,894 7.525,895 7.9,896 1,897 59,898 13.748,900 6.011,901 7.77,902 26.329,904 22.24,905 2.27,906 84,910 306.049,911 131.682,912 92.627,914 47.145,915 14.96,917 131.682,918 353.193,919 107.587,921 63.672,922 75.81,923 97.501,924 26.397,925 23.034,926 306.049,928 306.049,929 224.309,930 62.105,933 276.252,934 72.229,935 22,937 67.47,938 104.155,939 50.357,941 321.009,942 139.771,943 131.682,946 306.049,947 55.872,948 82.059,949 36.022,950 112.461,951 306.049,952 154.732,953 131.682,955 0.582,956 0.336,957 0.187,958 0.105,959 30,960 12,961 0.071,962 5,963 2,964 1.094,965 4.848,966 370.377,967 0.125,968 31,969 174.75,974 24.196,975 10.68,976 5.432,978 154.732,979 12.951,980 14.562,984 3.487,986 36.022,987 592.462,988 52,993 12.348,997 -0.417,999 65.927,1000 74.023,1001 0.282,1002 0.607,1003 0.745,1004 0.816,1005 0.837,1006 0.842,1007 5.228,1008 1.879,1009 6.146,1010 5.877,1011 4.779,1012 5.204,1013 2.368,1014 6.948,1015 4.658,1016 6.397,1017 1.8,1018 7.691,1019 5.839,1020 4.29,1021 4.879,1022 1.404,1023 7.799,1024 4.111,1025 7.682,1026 1.746,1027 9.333,1028 4.889,1029 6.361,1030 7.271,1031 2.66,1032 10.914,1033 6.122,1034 8.996,1035 1.369,1036 11.034,1037 4.487,1038 6.698,1039 7.73,1040 2.382,1041 12.636,1042 6.392,1043 10.341,1044 1.281,1045 12.775,1046 3.718,1047 8.216,1048 9.617,1049 3.324,1050 15.26,1051 7.855,1052 11.707,1053 1.053,1054 14.545,1055 2.871,1056 8.955,1057 10.456,1058 3.421,1059 17.367,1060 8.518,1061 13.089,1062 1,1063 16.337,1064 2.608,1065 10.238,1066 12.112,1067 4.179,1068 19.829,1069 9.745,1070 3.22,1071 1,1072 18.147,1073 2.275,1074 11.178,1075 13.163,1076 4.467,1077 22.105,1078 10.606,1079 2.942,1080 11.296,1081 19.972,1082 2.275,1083 12.364,1084 14.696,1085 5.118,1086 24.519,1087 11.73,1088 2.751,1089 9.552,1090 21.808,1091 4.057,1092 13.404,1093 15.874,1094 5.504,1095 26.869,1096 12.691,1097 2.669,1098 8.657,1099 23.655,1100 3.64,1101 14.553,1102 17.339,1103 6.093,1104 29.273,1105 13.774,1106 2.474,1107 7.674,1108 25.51,1109 3.6,1110 15.644,1111 18.595,1112 6.531,1113 31.657,1114 14.785,1115 2.213,1116 7.042,1117 27.373,1118 3.189,1119 16.782,1120 20.022,1121 7.084,1122 34.063,1123 15.853,1124 2.1,1125 6.425,1126 29.242,1127 3.059,1128 17.899,1129 21.327,1130 7.551,1131 36.463,1132 16.891,1133 21608,1134 36055,1135 29.126,1136 42.716,1137 63.417,1138 64.826,1139 64.029,1140 63.035,1141 63.005,1142 77.248,1143 10.446,1144 180.635,1145 59.19,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 12.197,1156 1.51,1157 1.543,1158 1.524,1159 1.501,1160 1.5,1161 1.839,1162 0.249,1163 4.301,1164 1.409,1165 4.04,1166 4.09,1167 3.993,1168 3.905,1169 8.201,1170 3.917,1171 3.921,1172 3.961,1173 3.864,1174 3.815,1175 7.431,1176 3.818,1177 3.888,1178 3.924,1179 3.818,1180 3.776,1181 5.078,1182 3.783,1183 3.792,1184 3.847,1185 3.704,1186 3.579,1187 4.71,1188 3.603,1189 3.579,1190 3.635,1191 3.508,1192 3.349,1193 4.662,1194 3.383,1195 3.397,1196 3.441,1197 3.351,1198 3.109,1199 4.63,1200 3.166,1201 3.144,1202 3.206,1203 2.956,1204 2.951,1205 4.593,1206 2.926,1207 3.111,1208 3.206,1209 2.907,1210 2.941,1211 4.073,1212 2.91,1213 0.105,1214 0.085,1215 0.162,1216 0.099,1217 0.077,1218 4.431,1219 0.097,1220 3.562,1221 0.039,1222 6.817,1223 0.269,1224 4.146,1225 0.071,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.931,1232 1.901,1233 2.02,1234 2.075,1235 1.255,1236 2.053,1237 1.875,1238 1.846,1239 1.977,1240 2.001,1241 1.208,1242 1.991,1243 1.748,1244 1.692,1245 1.92,1246 1.946,1247 1.187,1248 1.945,1249 1.662,1250 1.608,1251 1.86,1252 1.903,1253 1.1,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.045,1260 1.798,1261 1.44,1262 1.389,1263 1.534,1264 1.701,1265 0.825,1266 1.662,1267 1.238,1268 1.193,1269 1.513,1270 1.548,1271 0.514,1272 1.498,1273 1.153,1274 1.064,1275 1.357,1276 1.376,1277 0.496,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.294,1284 4.844,1285 8.902,1286 6.986,1287 10.556,1291 13.093,1295 6.238,1296 5.473,1297 11.279,1299 0.551,1300 4.435,1305 41.472,1306 110.23,1307 237.64,1308 291.454,1309 319.454,1310 327.454,1311 329.454,1312 61.497,1313 8.601,1314 104.74,1315 104.74,1316 35,1317 12.907,1318 4.322,1319 3.459,1320 51.101,1321 182,1322 228,1323 0.131,1324 247.284,1325 434.54,1326 595.133,1327 73022,1328 1.5,1329 25.192,1330 0.681,1331 0.548,1332 24.321,1333 20.269,1334 18.119,1335 0.431,1336 0.298,1337 12.262,1338 17.163,1339 12.126,1340 9.886,1341 17.725,1342 12.511,1343 16.474,1344 0.279,1345 0.159,1346 15.853,1347 9.352,1348 13.989,1349 0.177,1350 0.087,1351 13.578,1352 6.88,1353 12.123,1354 0.113,1355 0.047,1356 11.981,1357 4.988,1358 10.162,1359 0.073,1360 0.024,1361 9.871,1362 3.373,1363 0.209,1364 115.275,1365 0.185,1366 33.962,1367 0.351,1368 202,1369 660.209,1370 230.121,1371 598.604,1372 815.71,1373 564,1374 239,1375 597.538,1376 266.758,1377 591.433,1378 875.31,1379 558,1380 7.409}
{0 CHEMBL1257955,1 1.599,2 13.639,3 3.519,4 12.382,5 135.03,6 7.502,7 0.439,8 4.301,9 4.424,10 3.888,11 3.785,12 5.345,13 3.789,14 4.883,15 5.056,16 4.259,17 4.197,18 5.928,19 4.175,20 5.146,21 5.37,22 4.281,23 4.338,24 6.076,25 4.278,26 5.139,27 5.391,28 4.213,29 4.25,30 6.118,31 4.185,32 5.032,33 5.271,34 4.236,35 4.183,36 6.13,37 4.16,38 4.933,39 5.118,40 4.254,41 4.24,42 5.972,43 4.215,44 5.062,45 5.257,46 4.26,47 4.397,48 6.012,49 4.327,50 5.255,51 5.474,52 4.202,53 4.516,54 6.121,55 4.37,56 0.058,57 1.034,58 13.465,59 5.446,60 7.961,61 7.355,62 0.586,63 1.68,64 27.475,65 9.545,66 42.143,67 12.869,68 0.609,69 2.023,70 38.274,71 11.734,72 45.932,73 17.3,74 0.562,75 1.977,76 39.161,77 11.205,78 55.539,79 17.229,80 0.765,81 1.809,82 35.183,83 8.732,84 75.97,85 13.641,86 0.42,87 1.788,88 28.697,89 9.022,90 38.527,91 12.856,92 0.602,93 1.98,94 32.86,95 11.404,96 41.033,97 16.16,98 0.388,99 2.176,100 40.943,101 17.972,102 53.155,103 24.756,104 2,105 57,106 0.253,107 0.556,108 0.692,109 0.771,110 0.797,111 0.802,112 3.616,113 0.908,114 -4.72,115 -4.64,116 -4.36,119 40,121 2,125 6,127 2,142 9,143 1,144 2,149 1,150 2,159 1,172 9,174 7,175 4,178 2,179 1,180 4,183 8,186 2,187 6,192 4,195 4,198 3,199 15,204 6,211 4,212 10,217 4,224 12,227 2,229 2,232 6,236 4,237 2,245 12,249 2,250 4,253 5,258 12,263 6,271 4,275 2670,276 25.101,277 25.101,278 25.101,279 25.101,280 25.101,281 22.888,282 35.795,283 15.047,284 25.853,285 20.34,286 20.34,287 20.34,288 20.34,289 20.34,290 16.968,291 56.906,292 7.245,293 21.577,294 4.423,295 2.506,296 1.651,297 1.15,298 0.985,299 0.954,300 4.338,305 1,306 1110,307 3.162,310 86.593,311 604.06,312 118.286,318 2.144,319 32.913,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 78.5,331 491,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.155,342 3.461,343 6.278,344 3.887,345 2.942,346 3.616,347 0.86,348 9.552,349 2.8,350 4.009,351 3.136,352 6.022,353 3.693,354 2.746,355 3.472,356 0.86,357 8.657,358 2.588,359 3.936,360 2.832,361 5.569,362 3.594,363 2.635,364 3.185,365 0.8,366 7.637,367 2.51,368 3.733,369 2.559,370 5.336,371 3.377,372 2.415,373 3.041,374 0.8,375 6.946,376 2.32,377 3.443,378 2.481,379 5.245,380 3.094,381 2.155,382 2.652,383 0.247,384 6.415,385 2.02,386 3.315,387 2.317,388 5.086,389 2.915,390 1.926,391 2.494,393 5.839,394 1.886,395 2.93,396 2.258,397 4.67,398 2.851,399 1.879,400 2.029,402 5.083,403 1.822,404 2.879,405 2.016,406 4.492,407 2.647,408 1.753,409 1.97,411 4.502,412 1.564,413 2.853,414 1.883,415 4.204,416 2.397,417 1.422,418 1.879,420 3.731,421 1.387,422 2.739,423 1.519,424 3.853,425 2.277,426 1.346,427 1.815,428 2.987,429 1.247,430 2.5,431 1.512,432 3.569,433 2.166,434 1.277,435 1.5,436 2.87,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.607,446 1,447 2.323,448 1.256,449 3.488,450 2,451 1,452 1.32,454 2.275,455 1,456 2.2,457 1,458 3.414,459 1.952,460 1,461 1.176,463 2.198,464 0.946,465 16.8,466 0.467,467 0.705,468 0.02,469 47.25,470 1.313,471 21.5,472 0.597,473 25.75,474 0.715,475 31.63,476 0.879,477 39,478 0.6,479 37.042,480 1.029,481 9.114,482 0.253,483 8.612,484 0.239,485 0.02,487 0.315,493 0.868,494 1.546,495 0.757,496 1.203,497 0.633,498 0.992,499 1.04,500 1.016,501 0.961,502 0.994,503 0.666,504 0.981,505 1.082,506 1.161,507 1.018,508 0.998,509 0.905,510 0.992,511 0.969,512 1.151,513 0.942,514 0.979,515 0.917,516 0.946,517 1.225,518 0.897,519 0.947,520 0.658,521 1.568,522 0.709,523 1.198,524 1.193,525 1.083,526 1.023,527 1.316,528 1.013,529 0.896,530 0.916,531 1.193,532 1.02,533 0.758,534 1.115,535 0.363,536 1.118,537 1.062,538 1.472,539 0.383,540 1.421,541 6,542 0.127,543 3.111,544 1.875,545 1.139,546 1.326,547 0.886,548 0.342,549 0.255,550 0.307,551 21906,552 53882,553 2.221,554 44.6,556 23,559 2,561 4,564 1.775,565 2.16,566 3.645,567 0.204,573 103.955,574 1.599,575 3.517,576 4.372,577 4.872,578 5.038,579 5.069,580 3.03,581 4.427,582 5.137,583 3.899,584 2456.44,585 9.038,586 39723.9,591 391.454,592 1.056,593 5.134,594 0.146,595 0.005,596 0.055,597 0.033,598 0.022,599 0.024,600 0.016,601 0.006,602 0.005,603 0.009,604 0.32,605 0.17,606 0.63,607 0.287,608 197.105,609 -0.053,610 -0.312,611 0.079,612 -0.126,613 -0.015,614 -0.019,615 0.084,616 0.119,617 -0.027,618 -0.001,619 0.099,620 -0.045,621 -0.095,622 -0.122,623 -0.048,624 -0.028,625 -0.051,626 -0.03,627 -0.048,628 -0.135,629 0.051,630 -0.045,631 0.024,632 0.011,633 -0.085,634 0.182,635 0.064,636 0.228,637 -0.085,638 0.192,639 -0.203,640 -0.026,641 -0.16,642 -0.056,643 -0.166,644 -0.089,645 -0.087,646 0.228,647 -0.292,648 -0.016,649 -0.112,650 -0.151,651 0.199,652 -0.147,653 -0.165,654 -0.364,655 0.143,656 -0.342,657 1.964,658 5.357,659 0.889,660 44.185,661 1.006,662 1.134,663 3.492,664 12.194,665 0.658,666 3.738,667 4.06,668 4.357,669 4.663,670 4.913,671 5.017,672 5.209,673 5.389,674 5.549,675 5.707,676 8.098,677 0.632,678 487.62,679 3.738,680 5.283,681 6.142,682 7.024,683 7.898,684 8.787,685 9.67,686 10.565,687 11.453,688 12.352,689 10.8,695 2,696 2,699 3,702 1,704 9,705 3,709 6,711 18,726 2,731 65,733 19,734 2,735 41,737 70,738 26,739 15,740 3,741 9,746 6,747 7,751 1,755 4,758 4,761 16,762 10,766 1,771 1,775 1,781 29,782 10,783 2,784 10,790 7,794 0.833,795 3,808 1,811 1,812 5,813 1,839 2,840 5,848 36,854 8,855 2,856 2,858 2,859 2,870 4.6,873 1,874 2,877 16.667,878 11.417,879 7.806,880 4.004,881 3.145,882 1.369,883 1.004,884 6.794,885 11.671,886 3.951,887 4.483,888 5.002,889 5.566,890 6.102,891 6.336,892 6.785,893 7.187,894 7.514,895 7.889,896 0.889,897 57,898 13.356,900 5.78,901 7.62,902 25.908,904 21.871,905 2.12,906 76.333,910 317.82,911 132.037,912 92.627,914 47.145,917 132.037,918 364.964,919 92.627,921 63.672,922 85.286,923 97.501,924 17.276,925 8.074,926 317.82,928 317.82,929 224.664,930 47.145,933 273.063,934 72.229,935 22,937 67.47,938 104.51,939 50.357,941 317.82,942 139.771,943 132.037,946 317.82,947 46.751,948 91.535,949 36.022,950 97.501,951 317.82,952 139.771,953 132.037,955 0.577,956 0.336,957 0.191,958 0.104,959 29,960 11,961 0.071,962 5,963 2,964 1.094,965 4.786,966 358.066,967 0.125,968 31,969 168.117,974 23.316,975 10.49,976 5.231,978 139.771,979 16.904,980 14.627,984 4.281,986 36.022,987 589.628,988 51,993 12.357,997 -0.297,999 65.414,1000 73.684,1001 0.266,1002 0.584,1003 0.726,1004 0.809,1005 0.837,1006 0.842,1007 5.201,1008 1.879,1009 6.107,1010 5.839,1011 4.745,1012 5.17,1013 2.368,1014 6.907,1015 4.631,1016 6.359,1017 1.753,1018 7.647,1019 5.083,1020 4.205,1021 4.771,1022 1.404,1023 7.753,1024 4.039,1025 7.637,1026 1.422,1027 9.288,1028 4.502,1029 6.319,1030 7.219,1031 2.66,1032 10.884,1033 6.089,1034 8.945,1035 1.346,1036 10.99,1037 3.731,1038 6.635,1039 7.629,1040 2.382,1041 12.617,1042 6.339,1043 10.286,1044 1.277,1045 12.735,1046 2.987,1047 8.176,1048 9.555,1049 3.324,1050 15.245,1051 7.821,1052 11.65,1053 1.053,1054 14.51,1055 2.87,1056 8.908,1057 10.363,1058 3.421,1059 17.358,1060 8.478,1061 13.031,1062 1,1063 16.307,1064 2.607,1065 10.203,1066 12.044,1067 4.179,1068 19.822,1069 9.714,1070 3.22,1071 1,1072 18.121,1073 2.275,1074 11.144,1075 13.076,1076 4.467,1077 22.101,1078 10.574,1079 2.942,1080 11.296,1081 19.95,1082 2.198,1083 12.336,1084 14.625,1085 5.118,1086 24.516,1087 11.704,1088 2.746,1089 9.552,1090 21.79,1091 4.057,1092 13.378,1093 15.792,1094 5.504,1095 26.867,1096 12.665,1097 2.635,1098 8.657,1099 23.64,1100 3.616,1101 14.531,1102 17.268,1103 6.093,1104 29.272,1105 13.751,1106 2.415,1107 7.637,1108 25.498,1109 3.472,1110 15.624,1111 18.519,1112 6.531,1113 31.656,1114 14.764,1115 2.155,1116 6.946,1117 27.363,1118 3.185,1119 16.765,1120 19.953,1121 7.084,1122 34.062,1123 15.834,1124 1.926,1125 6.415,1126 29.234,1127 3.041,1128 17.884,1129 21.257,1130 7.551,1131 36.463,1132 16.873,1133 19872,1134 31328,1135 28.72,1136 42.779,1137 61.63,1138 62.68,1139 61.874,1140 61.318,1141 61.314,1142 75.367,1143 10.446,1144 174.169,1145 57.884,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 8.136,1156 1.503,1157 1.529,1158 1.509,1159 1.496,1160 1.495,1161 1.838,1162 0.255,1163 4.248,1164 1.412,1165 4.04,1166 4.09,1167 3.992,1168 3.905,1169 7.431,1170 3.916,1171 3.917,1172 3.958,1173 3.846,1174 3.815,1175 5.078,1176 3.813,1177 3.882,1178 3.919,1179 3.809,1180 3.776,1181 4.773,1182 3.782,1183 3.792,1184 3.847,1185 3.703,1186 3.579,1187 4.7,1188 3.603,1189 3.579,1190 3.634,1191 3.505,1192 3.349,1193 4.631,1194 3.383,1195 3.391,1196 3.436,1197 3.336,1198 3.109,1199 4.596,1200 3.163,1201 3.144,1202 3.206,1203 2.956,1204 2.951,1205 4.075,1206 2.926,1207 3.111,1208 3.206,1209 2.89,1210 2.941,1211 4.045,1212 2.91,1213 0.108,1214 0.087,1215 0.166,1216 0.101,1217 0.079,1218 4.431,1219 0.099,1220 3.562,1221 0.04,1222 6.817,1223 0.276,1224 4.146,1225 0.073,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.932,1232 1.901,1233 2.024,1234 2.075,1235 1.255,1236 2.053,1237 1.883,1238 1.852,1239 2.003,1240 2,1241 1.208,1242 1.999,1243 1.748,1244 1.692,1245 1.92,1246 1.945,1247 1.187,1248 1.947,1249 1.662,1250 1.608,1251 1.86,1252 1.903,1253 1.1,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.059,1260 1.798,1261 1.441,1262 1.389,1263 1.535,1264 1.701,1265 0.825,1266 1.663,1267 1.244,1268 1.196,1269 1.513,1270 1.547,1271 0.515,1272 1.503,1273 1.153,1274 1.064,1275 1.376,1276 1.376,1277 0.496,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.259,1284 4.844,1285 8.866,1286 6.986,1287 10.52,1295 6.394,1296 5.692,1297 11.302,1299 0.595,1300 4.479,1305 41.089,1306 103.955,1307 228.582,1308 284.17,1309 316.699,1310 327.454,1311 329.454,1312 51.982,1313 8.526,1314 104.74,1315 104.74,1316 35,1317 12.878,1318 4.322,1319 3.459,1320 49.034,1321 170,1322 204,1323 0.134,1324 246.086,1325 428.47,1326 592.209,1327 66063,1329 24.321,1330 0.676,1331 0.555,1332 24.321,1333 19.969,1334 17.725,1335 0.432,1336 0.303,1337 12.187,1338 16.888,1339 12.032,1340 9.838,1341 17.725,1342 12.412,1343 15.853,1344 0.278,1345 0.162,1346 15.853,1347 9.211,1348 13.578,1349 0.176,1350 0.088,1351 13.578,1352 6.81,1353 11.981,1354 0.114,1355 0.047,1356 11.981,1357 4.976,1358 9.871,1359 0.073,1360 0.025,1361 9.871,1362 3.344,1363 0.214,1364 112.046,1365 0.187,1366 33.147,1367 0.363,1368 196,1369 566.098,1370 220.29,1371 536.511,1372 744.36,1373 508,1374 232,1375 554.205,1376 256.848,1377 554.923,1378 822.05,1379 524,1380 7.745}
{0 CHEMBL1258067,1 1.637,2 15.275,3 3.486,4 12.152,5 147.956,6 7.502,7 0.4,8 4.417,9 4.534,10 3.997,11 3.858,12 5.483,13 3.874,14 5,15 5.174,16 4.362,17 4.258,18 6.049,19 4.254,20 5.218,21 5.421,22 4.428,23 4.422,24 6.2,25 4.384,26 5.261,27 5.492,28 4.377,29 4.39,30 6.273,31 4.336,32 5.225,33 5.458,34 4.359,35 4.344,36 6.297,37 4.309,38 5.118,39 5.318,40 4.364,41 4.364,42 6.154,43 4.325,44 5.212,45 5.424,46 4.376,47 4.476,48 6.191,49 4.408,50 5.347,51 5.562,52 4.32,53 4.575,54 6.272,55 4.447,56 0.108,57 1.121,58 15.336,59 6.155,60 9.901,61 8.233,62 0.796,63 1.778,64 32.053,65 10.455,66 51.362,67 13.966,68 0.835,69 2.143,70 40.693,71 12.406,72 51.813,73 18.122,74 0.759,75 2.184,76 43.582,77 12.722,78 62.897,79 19.295,80 1.076,81 2.076,82 43.233,83 10.971,84 89.518,85 16.957,86 0.701,87 2.039,88 35.749,89 11.043,90 52.497,91 16.295,92 0.893,93 2.176,94 39.903,95 13.093,96 59.169,97 19.098,98 0.601,99 2.32,100 45.544,101 18.83,102 70.389,103 25.852,104 14,105 63,106 0.253,107 0.564,108 0.721,109 0.788,110 0.807,111 0.815,112 3.717,113 0.898,114 -3.68,115 -3.65,116 -3.47,119 38.4,121 2,124 2,125 6,127 2,142 7,143 1,144 4,149 1,150 2,159 1,172 6,174 7,175 6,178 2,179 1,180 4,183 5,186 3,187 9,192 3,195 3,198 3,199 16,202 1,204 5,211 4,212 9,215 1,217 3,223 1,224 11,227 3,229 1,232 6,236 5,237 2,240 1,245 10,249 2,250 6,253 5,258 8,263 10,271 1,275 3410,276 27.789,277 27.789,278 27.789,279 27.789,280 27.789,281 25.603,282 43.027,283 16.341,284 28.885,285 22.15,286 22.15,287 22.15,288 22.15,289 22.15,290 18.612,291 66.551,292 7.633,293 23.746,294 4.552,295 2.549,296 1.533,297 1.1,298 0.98,299 0.925,300 4.435,306 1362,307 3.606,310 100.946,311 694.492,312 137.748,318 2.347,319 40.62,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 88.5,331 611,332 4.431,333 3.564,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.272,342 3.461,343 6.278,344 3.888,345 2.943,346 3.914,347 0.86,348 9.552,349 2.802,350 4.153,351 3.191,352 6.167,353 3.857,354 2.909,355 3.612,356 0.86,357 9.139,358 2.755,359 3.986,360 3.136,361 6.022,362 3.678,363 2.734,364 3.193,365 0.86,366 8.656,367 2.558,368 3.813,369 2.832,370 5.54,371 3.508,372 2.557,373 3.083,374 0.86,375 7.531,376 2.419,377 3.608,378 2.512,379 5.299,380 3.249,381 2.299,382 2.915,383 0.8,384 6.777,385 2.177,386 3.383,387 2.391,388 5.235,389 3.063,390 2.129,391 2.56,392 0.8,393 6.403,394 1.981,395 3.246,396 2.311,397 5.086,398 2.851,399 1.879,400 2.433,401 0.247,402 5.839,403 1.822,404 2.926,405 2.258,406 4.653,407 2.812,408 1.825,409 2.057,411 4.994,412 1.787,413 2.919,414 2.167,415 4.491,416 2.646,417 1.749,418 2.003,420 4.496,421 1.562,422 2.879,423 2.016,424 4.355,425 2.521,426 1.608,427 1.879,428 4.109,429 1.461,430 2.743,431 1.883,432 4.202,433 2.287,434 1.37,435 1.821,436 3.719,437 1.254,438 2.5,439 1.513,440 3.853,441 2.166,442 1.281,443 1.5,445 2.871,446 1.12,447 2.323,448 1.277,449 3.532,450 2,451 1.053,452 1.32,454 2.608,455 1,456 2.2,457 1.256,458 3.488,459 1.952,460 1,461 1.176,463 2.275,464 0.946,465 18.467,466 0.462,467 0.824,468 0.021,469 51.25,470 1.281,471 22.5,472 0.563,473 28.75,474 0.719,475 37.3,476 0.933,477 44.533,478 0.61,479 43.316,480 1.083,481 10.098,482 0.252,483 9.508,484 0.238,485 0.072,487 0.341,493 0.889,494 1.621,495 0.758,496 1.299,497 0.665,498 1.041,499 1.182,500 0.949,501 0.933,502 0.89,503 0.761,504 0.876,505 1.02,506 1.197,507 0.993,508 1.017,509 0.899,510 0.994,511 0.922,512 1.218,513 0.968,514 1.068,515 0.907,516 1.023,517 1.165,518 0.936,519 1.02,520 0.745,521 1.478,522 0.814,523 0.894,524 1.202,525 1.036,526 1.061,527 1.083,528 1.054,529 0.725,530 0.891,531 1.055,532 0.954,533 0.692,534 1.029,535 0.525,536 1.134,537 1.059,538 1.428,539 0.749,540 1.383,541 7.5,542 0.156,543 4,544 2.375,545 1.601,546 1.618,547 1.009,548 0.46,549 0.353,550 0.357,551 29238,552 76390,553 2.166,554 45.2,556 27,559 2,561 4,564 1.799,565 2.069,566 3.809,567 0.199,573 119.525,574 1.637,575 3.641,576 4.657,577 5.09,578 5.21,579 5.265,580 3.2,581 4.722,582 5.292,583 4.071,584 3175.12,585 9.334,586 56607.7,591 451.857,592 1.249,593 5.272,594 0.167,595 0.004,596 0.063,597 0.036,598 0.026,599 0.027,600 0.016,601 0.007,602 0.006,603 0.009,604 0.362,605 0.33,606 0.63,607 0.629,608 227.764,609 -0.061,610 -0.357,611 0.082,612 -0.177,613 -0.015,614 -0.041,615 -0.028,616 0.176,617 0.023,618 0.113,619 0.066,620 0.068,621 -0.061,622 -0.111,623 -0.042,624 -0.023,625 -0.028,626 -0.026,627 -0.048,628 -0.165,629 -0.002,630 -0.105,631 0.01,632 -0.054,633 -0.114,634 0.127,635 -0.021,636 0.167,637 -0.136,638 0.11,639 -0.053,640 -0.048,641 -0.113,642 -0.072,643 -0.054,644 -0.094,645 0.029,646 0.237,647 -0.138,648 0.055,649 0.034,650 -0.043,651 0.115,652 -0.125,653 -0.16,654 -0.32,655 0.089,656 -0.309,657 2.042,658 5.639,659 0.8,660 51.813,661 1.011,662 1.136,663 2.451,664 6.008,665 0.647,666 3.829,667 4.159,668 4.466,669 4.762,670 5.004,671 5.118,672 5.293,673 5.451,674 5.602,675 5.756,676 9.081,677 0.624,678 547.68,679 3.829,680 5.38,681 6.244,682 7.13,683 8.008,684 8.9,685 9.784,686 10.68,687 11.569,688 12.467,689 9.6,695 2,696 2,699 3,702 1,704 7,705 3,709 8,711 18,726 2,729 2,731 73,733 19,734 2,735 45,737 78,738 28,739 15,740 5,741 7,746 6,747 7,751 1,755 4,758 4,761 16,762 12,766 1,771 1,775 1,781 33,782 12,783 2,784 12,790 7,794 0.833,795 5,808 1,811 1,812 5,813 1,839 2,840 5,844 2,848 40,854 8,855 2,856 4,858 2,859 2,870 6.8,873 1,874 2,875 2,877 19.333,878 13.583,879 8.833,880 4.317,881 3.298,882 1.375,883 0.98,884 8.204,885 12.096,886 4.025,887 4.57,888 5.107,889 5.667,890 6.201,891 6.466,892 6.876,893 7.24,894 7.552,895 7.924,896 0.9,897 66,898 14.822,900 6.34,901 7.667,902 28.527,904 23.65,905 2.167,906 86.667,910 364.904,911 145.338,912 92.627,914 69.144,917 145.338,918 434.049,919 92.627,920 21.766,921 63.672,922 66.334,923 97.501,924 49.762,925 8.074,926 364.904,928 364.904,929 237.964,930 69.144,933 320.148,934 94.229,935 22,937 67.47,938 117.81,939 50.357,941 364.904,942 161.771,943 145.338,946 364.904,947 57.238,948 94.348,949 36.022,950 119.501,951 364.904,952 161.771,953 145.338,955 0.577,956 0.347,957 0.195,958 0.105,959 31,960 13,961 0.09,962 7,963 2,964 1.094,965 5.035,966 408.89,967 0.125,968 31,969 198.877,974 27.023,975 12.143,976 5.982,978 161.771,979 12.658,980 14.65,984 5.118,986 36.022,987 672.013,988 55,993 12.639,997 -0.375,999 73.836,1000 82.933,1001 0.265,1002 0.588,1003 0.752,1004 0.822,1005 0.842,1006 0.851,1007 5.286,1008 1.879,1009 6.221,1010 6.403,1011 4.844,1012 5.257,1013 2.613,1014 7.036,1015 4.715,1016 6.455,1017 1.825,1018 7.776,1019 5.839,1020 4.369,1021 4.977,1022 1.404,1023 7.923,1024 4.196,1025 7.747,1026 1.749,1027 9.429,1028 4.994,1029 6.441,1030 7.344,1031 2.803,1032 11.033,1033 6.193,1034 9.069,1035 1.608,1036 11.141,1037 4.496,1038 6.804,1039 7.867,1040 2.382,1041 12.769,1042 6.497,1043 10.425,1044 1.37,1045 12.892,1046 4.109,1047 8.313,1048 9.721,1049 3.381,1050 15.383,1051 7.942,1052 11.801,1053 1.281,1054 14.67,1055 3.719,1056 9.072,1057 10.624,1058 3.421,1059 17.484,1060 8.632,1061 13.193,1062 1.053,1063 16.467,1064 2.871,1065 10.349,1066 12.254,1067 4.197,1068 19.936,1069 9.849,1070 3.22,1071 1,1072 18.281,1073 2.608,1074 11.301,1075 13.359,1076 4.467,1077 22.2,1078 10.727,1079 2.943,1080 11.296,1081 20.107,1082 2.275,1083 12.481,1084 14.875,1085 5.123,1086 24.602,1087 11.845,1088 2.909,1089 9.552,1090 21.943,1091 4.057,1092 13.526,1093 16.095,1094 5.504,1095 26.941,1096 12.815,1097 2.734,1098 9.139,1099 23.788,1100 3.914,1101 14.671,1102 17.55,1103 6.094,1104 29.335,1105 13.894,1106 2.557,1107 8.656,1108 25.641,1109 3.612,1110 15.761,1111 18.836,1112 6.531,1113 31.709,1114 14.909,1115 2.299,1116 7.531,1117 27.5,1118 3.193,1119 16.895,1120 20.257,1121 7.084,1122 34.106,1123 15.974,1124 2.129,1125 6.777,1126 29.365,1127 3.083,1128 18.009,1129 21.583,1130 7.551,1131 36.499,1132 17.012,1133 26925,1134 43681,1135 30.917,1136 47.211,1137 67.209,1138 69.095,1139 69.036,1140 66.94,1141 67.038,1142 81.464,1143 13.886,1144 193.271,1145 62.626,1146 5.431,1147 5.564,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 15.756,1156 1.494,1157 1.535,1158 1.534,1159 1.488,1160 1.49,1161 1.81,1162 0.309,1163 4.295,1164 1.392,1165 4.042,1166 4.091,1167 3.996,1168 3.907,1169 7.431,1170 3.919,1171 3.929,1172 3.962,1173 3.881,1174 3.818,1175 5.079,1176 3.827,1177 3.894,1178 3.925,1179 3.821,1180 3.776,1181 4.934,1182 3.783,1183 3.793,1184 3.848,1185 3.704,1186 3.579,1187 4.703,1188 3.604,1189 3.581,1190 3.635,1191 3.509,1192 3.349,1193 4.631,1194 3.383,1195 3.425,1196 3.466,1197 3.368,1198 3.132,1199 4.597,1200 3.187,1201 3.247,1202 3.314,1203 3.056,1204 2.957,1205 4.496,1206 2.967,1207 3.205,1208 3.271,1209 3.047,1210 2.951,1211 4.363,1212 2.948,1213 0.098,1214 0.079,1215 0.151,1216 0.092,1217 0.072,1218 4.431,1219 0.09,1220 3.564,1221 0.037,1222 6.817,1223 0.251,1224 4.146,1225 0.066,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.931,1232 1.901,1233 2.019,1234 2.075,1235 1.255,1236 2.053,1237 1.873,1238 1.854,1239 1.963,1240 2.009,1241 1.208,1242 1.992,1243 1.748,1244 1.692,1245 1.92,1246 1.949,1247 1.187,1248 1.946,1249 1.662,1250 1.608,1251 1.86,1252 1.904,1253 1.101,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.062,1260 1.798,1261 1.441,1262 1.39,1263 1.577,1264 1.707,1265 0.825,1266 1.666,1267 1.279,1268 1.232,1269 1.575,1270 1.594,1271 0.577,1272 1.569,1273 1.192,1274 1.115,1275 1.529,1276 1.523,1277 0.574,1278 1.539,1279 4.511,1281 5.838,1282 2.398,1283 7.365,1284 4.844,1285 8.98,1286 6.986,1287 10.642,1289 3.114,1295 6.282,1296 5.676,1297 21.885,1299 0.56,1300 4.46,1305 45.572,1306 119.525,1307 265.76,1308 339.941,1309 371.593,1310 380.347,1311 384.347,1312 63.834,1313 8.797,1314 123.2,1315 123.2,1316 35,1317 12.992,1318 4.322,1319 3.459,1320 57.445,1321 218,1322 238,1323 0.125,1324 273.263,1325 480.65,1326 658.522,1327 94727,1329 27.476,1330 0.687,1331 0.566,1332 27.476,1333 22.63,1334 19.606,1335 0.436,1336 0.299,1337 13.156,1338 18.463,1339 12.911,1340 10.599,1341 19.606,1342 13.464,1343 17.364,1344 0.276,1345 0.157,1346 17.364,1347 9.914,1348 15.151,1349 0.176,1350 0.086,1351 15.151,1352 7.419,1353 13.234,1354 0.114,1355 0.046,1356 13.234,1357 5.368,1358 10.775,1359 0.073,1360 0.024,1361 10.775,1362 3.591,1363 0.201,1364 125.56,1365 0.18,1366 36.234,1367 0.33,1368 216,1369 677.569,1370 246.047,1371 629.098,1372 865.72,1373 596,1374 257,1375 636.296,1376 287.939,1377 637.112,1378 941.22,1379 597,1380 7.87}
{0 CHEMBL1258183,1 1.621,2 15.158,3 2.914,4 8.493,5 141.846,6 7.502,7 0.419,8 4.361,9 4.481,10 3.938,11 3.829,12 5.424,13 3.837,14 4.94,15 5.111,16 4.309,17 4.246,18 6,19 4.226,20 5.199,21 5.418,22 4.349,23 4.399,24 6.159,25 4.341,26 5.221,27 5.469,28 4.277,29 4.322,30 6.228,31 4.255,32 5.113,33 5.357,34 4.278,35 4.236,36 6.204,37 4.208,38 4.979,39 5.167,40 4.294,41 4.272,42 6.026,43 4.248,44 5.108,45 5.303,46 4.315,47 4.428,48 6.077,49 4.364,50 5.306,51 5.521,52 4.272,53 4.545,54 6.281,55 4.408,56 0.1,57 1.081,58 14.455,59 5.817,60 11.182,61 7.798,62 0.656,63 1.751,64 29.281,65 10.149,66 47.221,67 13.639,68 0.66,69 2.121,70 40.101,71 12.473,72 50.442,73 18.408,74 0.668,75 2.092,76 42.602,77 12.209,78 67.452,79 18.746,80 0.864,81 1.901,82 38.688,83 9.613,84 84.56,85 15.164,86 0.525,87 1.853,88 30.301,89 9.321,90 40.918,91 13.523,92 0.642,93 2.049,94 34.584,95 11.937,96 41.749,97 16.986,98 0.635,99 2.25,100 43.521,101 18.354,102 89.607,103 25.259,104 6,105 60,106 0.254,107 0.581,108 0.724,109 0.788,110 0.806,111 0.811,112 3.668,113 0.906,114 -4.2,115 -4.14,116 -3.91,119 39.1,121 2,125 7,127 2,142 8,143 2,144 2,149 1,150 2,159 1,172 9,174 7,175 4,178 2,179 1,180 5,183 8,186 2,187 6,192 6,195 4,198 3,199 15,204 8,211 4,212 10,217 4,224 12,227 2,228 1,229 2,232 6,236 4,237 2,245 12,249 2,250 4,253 6,254 1,258 12,263 6,271 4,275 3094,276 26.419,277 26.419,278 26.419,279 26.419,280 26.419,281 24.233,282 40.511,283 15.632,284 27.191,285 21.234,286 21.234,287 21.234,288 21.234,289 21.234,290 17.795,291 62.3,292 7.419,293 22.515,294 4.487,295 2.394,296 1.478,297 1.072,298 0.957,299 0.928,300 4.388,306 1294,307 3.391,310 94.154,311 651.788,312 128.507,318 2.36,319 39.304,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 83.5,331 576,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.156,342 3.461,343 6.278,344 3.887,345 2.942,346 3.654,347 0.86,348 9.552,349 2.8,350 4.066,351 3.136,352 6.022,353 3.709,354 2.754,355 3.605,356 0.86,357 8.657,358 2.644,359 3.975,360 2.835,361 5.598,362 3.645,363 2.683,364 3.19,365 0.8,366 7.71,367 2.548,368 3.781,369 2.805,370 5.413,371 3.462,372 2.497,373 3.063,374 0.8,375 7.156,376 2.399,377 3.564,378 2.509,379 5.259,380 3.218,381 2.254,382 2.849,383 0.765,384 6.497,385 2.169,386 3.376,387 2.373,388 5.154,389 3.06,390 2.121,391 2.553,392 0.247,393 6.349,394 1.982,395 3.238,396 2.308,397 5.086,398 2.851,399 1.879,400 2.425,402 5.839,403 1.822,404 2.926,405 2.258,406 4.635,407 2.816,408 1.824,409 2.003,411 4.96,412 1.798,413 2.879,414 2.016,415 4.487,416 2.646,417 1.749,418 1.879,420 4.492,421 1.562,422 2.743,423 1.883,424 4.202,425 2.288,426 1.37,427 1.821,428 3.72,429 1.255,430 2.5,431 1.513,432 3.853,433 2.166,434 1.281,435 1.5,436 2.871,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.608,446 1,447 2.323,448 1.256,449 3.488,450 2,451 1,452 1.32,454 2.275,455 1,456 2.2,457 1.153,458 3.414,459 1.952,460 1,461 1.176,463 2.275,464 0.946,465 17.633,466 0.464,467 0.773,468 0.02,469 48.5,470 1.276,471 21.5,472 0.566,473 27,474 0.711,475 34.626,476 0.911,477 41.767,478 0.605,479 39.61,480 1.042,481 9.41,482 0.248,483 9.247,484 0.243,485 0.038,487 0.329,493 0.904,494 1.538,495 0.774,496 1.198,497 0.743,498 0.993,499 1.031,500 1.007,501 0.959,502 0.977,503 0.725,504 0.969,505 0.983,506 1.192,507 1.003,508 1.036,509 0.763,510 1.018,511 0.943,512 1.169,513 0.959,514 1.016,515 0.884,516 0.982,517 1.127,518 0.913,519 0.926,520 0.679,521 1.329,522 0.722,523 1.071,524 1.182,525 1.068,526 1.007,527 1.058,528 1.008,529 0.842,530 0.958,531 1.149,532 1.036,533 0.68,534 1.109,535 0.413,536 1.107,537 1.068,538 1.437,539 0.488,540 1.406,541 7,542 0.136,543 3.556,544 1.938,545 1.37,546 1.444,547 0.968,548 0.398,549 0.304,550 0.347,551 25688,552 66000,553 2.192,554 44.9,556 24,559 3,561 4,564 1.787,565 2.111,566 3.771,567 0.817,573 111.875,574 1.621,575 3.714,576 4.63,577 5.036,578 5.152,579 5.181,580 3.231,581 4.564,582 5.214,583 4.031,584 2834.14,585 9.184,586 48236.6,591 421.488,592 1.167,593 5.205,594 0.163,595 0.004,596 0.059,597 0.032,598 0.025,599 0.025,600 0.016,601 0.007,602 0.006,603 0.009,604 0.346,605 0.33,606 0.63,607 0.5,608 212.765,609 -0.082,610 -0.287,611 0.064,612 -0.097,613 -0.058,614 -0.006,615 0.033,616 0.138,617 -0.03,618 0.033,619 0.038,620 -0.02,621 -0.084,622 -0.132,623 -0.049,624 -0.049,625 -0.022,626 -0.044,627 -0.059,628 -0.151,629 0.026,630 -0.071,631 0.001,632 -0.017,633 -0.081,634 0.147,635 0.082,636 0.216,637 -0.088,638 0.196,639 -0.158,640 0.006,641 -0.15,642 -0.033,643 -0.127,644 -0.076,645 -0.076,646 0.2,647 -0.251,648 -0.019,649 -0.081,650 -0.134,651 0.223,652 -0.114,653 -0.166,654 -0.333,655 0.201,656 -0.335,657 2.019,658 5.462,659 0.842,660 49.316,661 1.009,662 1.135,663 2.97,664 8.819,665 0.652,666 3.784,667 4.111,668 4.407,669 4.7,670 4.956,671 5.069,672 5.252,673 5.416,674 5.572,675 5.733,676 8.73,677 0.628,678 517.65,679 3.784,680 5.333,681 6.192,682 7.074,683 7.948,684 8.837,685 9.719,686 10.613,687 11.501,688 12.398,689 10.1,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 69,733 19,734 2,735 43,737 74,738 27,739 15,740 4,741 8,746 6,747 7,751 1,752 1,755 4,758 4,761 16,762 11,766 1,771 1,775 1,781 31,782 11,783 3,784 11,790 7,794 0.833,795 4,796 1,808 1,811 1,812 5,813 1,838 1,839 2,840 5,848 38,853 1,854 9,855 2,856 2,858 2,859 2,870 5.8,871 1,873 1,874 2,877 18,878 12.033,879 8.306,880 4.174,881 3.227,882 1.372,883 0.981,884 7.493,885 11.897,886 3.989,887 4.527,888 5.051,889 5.608,890 6.154,891 6.403,892 6.832,893 7.208,894 7.529,895 7.908,896 0.9,897 61,898 14.103,900 6.109,901 7.697,902 27.201,904 22.932,905 2.197,906 83.5,910 329.591,911 125.747,912 92.627,914 89.828,917 125.747,918 419.419,919 92.627,921 63.672,922 118.493,923 97.501,924 20.461,925 8.074,926 329.591,928 329.591,929 218.373,930 89.828,933 284.834,934 72.229,935 64.683,937 67.47,938 98.219,939 50.357,941 329.591,942 182.455,943 125.747,946 329.591,947 49.937,948 82.059,949 36.022,950 140.185,951 329.591,952 182.455,953 125.747,955 0.578,956 0.34,957 0.188,958 0.103,959 30,960 12,961 0.081,962 6,963 2,964 1.094,965 4.935,966 381.638,967 0.125,968 31,969 181.421,974 25.165,975 11.315,976 5.679,978 182.455,979 14.504,980 14.616,984 4.866,986 78.705,987 637.792,988 53,993 12.462,997 -0.352,999 69.625,1000 78.308,1001 0.265,1002 0.608,1003 0.758,1004 0.824,1005 0.843,1006 0.848,1007 5.244,1008 1.879,1009 6.163,1010 6.349,1011 4.796,1012 5.215,1013 2.472,1014 6.965,1015 4.685,1016 6.408,1017 1.824,1018 7.708,1019 5.839,1020 4.29,1021 4.879,1022 1.404,1023 7.82,1024 4.14,1025 7.693,1026 1.749,1027 9.351,1028 4.96,1029 6.378,1030 7.281,1031 2.707,1032 10.931,1033 6.158,1034 9.006,1035 1.37,1036 11.052,1037 4.492,1038 6.711,1039 7.74,1040 2.382,1041 12.654,1042 6.436,1043 10.352,1044 1.281,1045 12.794,1046 3.72,1047 8.233,1048 9.627,1049 3.339,1050 15.272,1051 7.896,1052 11.719,1053 1.053,1054 14.563,1055 2.871,1056 8.969,1057 10.469,1058 3.421,1059 17.377,1060 8.565,1061 13.102,1062 1,1063 16.355,1064 2.608,1065 10.253,1066 12.123,1067 4.183,1068 19.836,1069 9.788,1070 3.22,1071 1,1072 18.164,1073 2.275,1074 11.191,1075 13.176,1076 4.467,1077 22.11,1078 10.651,1079 2.942,1080 11.296,1081 19.987,1082 2.275,1083 12.377,1084 14.708,1085 5.119,1086 24.522,1087 11.773,1088 2.754,1089 9.552,1090 21.822,1091 4.057,1092 13.415,1093 15.887,1094 5.504,1095 26.872,1096 12.733,1097 2.683,1098 8.657,1099 23.667,1100 3.654,1101 14.564,1102 17.35,1103 6.093,1104 29.275,1105 13.814,1106 2.497,1107 7.71,1108 25.521,1109 3.605,1110 15.653,1111 18.607,1112 6.531,1113 31.658,1114 14.823,1115 2.254,1116 7.156,1117 27.382,1118 3.19,1119 16.791,1120 20.033,1121 7.084,1122 34.064,1123 15.889,1124 2.121,1125 6.497,1126 29.25,1127 3.063,1128 17.906,1129 21.339,1130 7.551,1131 36.464,1132 16.925,1133 23500,1134 37810,1135 29.819,1136 44.995,1137 64.47,1138 65.917,1139 65.387,1140 64.163,1141 64.186,1142 78.426,1143 11.976,1144 183.527,1145 60.587,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 12.474,1156 1.499,1157 1.533,1158 1.521,1159 1.492,1160 1.493,1161 1.824,1162 0.279,1163 4.268,1164 1.409,1165 4.042,1166 4.091,1167 3.994,1168 3.911,1169 7.431,1170 3.921,1171 3.931,1172 3.968,1173 3.868,1174 3.843,1175 6.457,1176 3.842,1177 3.895,1178 3.931,1179 3.82,1180 3.776,1181 5.078,1182 3.783,1183 3.793,1184 3.848,1185 3.704,1186 3.579,1187 4.735,1188 3.604,1189 3.582,1190 3.637,1191 3.509,1192 3.35,1193 4.695,1194 3.384,1195 3.428,1196 3.474,1197 3.367,1198 3.167,1199 4.631,1200 3.209,1201 3.182,1202 3.228,1203 3.057,1204 2.951,1205 4.595,1206 2.964,1207 3.144,1208 3.206,1209 2.955,1210 2.941,1211 4.074,1212 2.926,1213 0.103,1214 0.083,1215 0.159,1216 0.096,1217 0.075,1218 4.431,1219 0.094,1220 3.562,1221 0.039,1222 6.817,1223 0.263,1224 4.146,1225 0.069,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.934,1232 1.904,1233 2.03,1234 2.075,1235 1.255,1236 2.054,1237 1.905,1238 1.877,1239 2.009,1240 2.015,1241 1.208,1242 2.014,1243 1.748,1244 1.693,1245 1.921,1246 1.951,1247 1.187,1248 1.949,1249 1.662,1250 1.608,1251 1.86,1252 1.904,1253 1.139,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.098,1260 1.798,1261 1.443,1262 1.391,1263 1.542,1264 1.707,1265 0.825,1266 1.667,1267 1.301,1268 1.254,1269 1.513,1270 1.59,1271 0.603,1272 1.555,1273 1.153,1274 1.064,1275 1.483,1276 1.392,1277 0.51,1278 1.429,1279 4.466,1281 5.79,1282 2.398,1283 7.311,1284 4.844,1285 8.919,1286 6.986,1287 10.572,1294 9.172,1295 6.262,1296 5.641,1297 11.303,1299 0.568,1300 4.458,1305 43.331,1306 111.875,1307 256.295,1308 319.488,1309 347.488,1310 355.488,1311 357.488,1312 60.791,1313 8.67,1314 124.97,1315 124.97,1316 35,1317 12.924,1318 4.322,1319 3.459,1320 53.207,1321 195,1322 252,1323 0.128,1324 259.674,1325 454.56,1326 625.365,1327 80371,1329 25.899,1330 0.682,1331 0.554,1332 25.899,1333 21.045,1334 18.657,1335 0.434,1336 0.302,1337 12.746,1338 17.737,1339 12.578,1340 10.275,1341 18.657,1342 12.992,1343 16.644,1344 0.277,1345 0.162,1346 16.644,1347 9.7,1348 14.397,1349 0.178,1350 0.089,1351 14.397,1352 7.172,1353 12.434,1354 0.114,1355 0.047,1356 12.434,1357 5.148,1358 10.26,1359 0.073,1360 0.025,1361 10.26,1362 3.484,1363 0.205,1364 118.345,1365 0.183,1366 34.792,1367 0.339,1368 206,1369 610.248,1370 231.729,1371 575.36,1372 791.35,1373 544,1374 244,1375 579.72,1376 270.177,1377 581.366,1378 861.39,1379 548,1380 8.155}
{0 CHEMBL1258296,1 1.604,2 15.923,3 3.236,4 10.468,5 146.6,6 7.384,7 0.409,8 4.397,9 4.519,10 3.961,11 3.867,12 5.447,13 3.869,14 4.979,15 5.154,16 4.327,17 4.283,18 6.02,19 4.256,20 5.245,21 5.469,22 4.363,23 4.438,24 6.182,25 4.373,26 5.253,27 5.502,28 4.307,29 4.372,30 6.238,31 4.298,32 5.17,33 5.414,34 4.317,35 4.293,36 6.262,37 4.257,38 5.044,39 5.24,40 4.313,41 4.312,42 6.074,43 4.281,44 5.136,45 5.337,46 4.333,47 4.451,48 6.098,49 4.383,50 5.329,51 5.546,52 4.283,53 4.566,54 6.239,55 4.43,56 0.087,57 1.12,58 15.419,59 6.143,60 11.204,61 8.345,62 0.646,63 1.814,64 31.007,65 10.727,66 48.479,67 14.615,68 0.684,69 2.198,70 42.75,71 13.184,72 54.356,73 19.629,74 0.601,75 2.176,76 43.893,77 12.884,78 62.848,79 19.947,80 0.849,81 1.997,82 41.074,83 10.45,84 89.11,85 16.501,86 0.516,87 1.934,88 33.395,89 10.062,90 45.602,91 14.774,92 0.668,93 2.105,94 36.257,95 12.301,96 44.204,97 17.86,98 0.5,99 2.305,100 44.912,101 18.677,102 66.441,103 25.775,104 7,105 61,106 0.249,107 0.569,108 0.718,109 0.794,110 0.811,111 0.815,112 3.693,113 0.92,114 -4.4,115 -4.33,116 -4.08,119 38.9,121 3,125 7,127 2,142 8,143 2,144 2,149 1,150 2,159 1,172 10,174 7,175 4,178 2,179 1,180 5,183 10,186 2,187 6,192 5,195 6,198 3,199 15,204 8,211 4,212 10,217 7,224 12,227 2,229 2,232 6,236 4,237 3,241 1,242 1,245 12,249 2,250 4,253 5,258 12,263 6,266 1,267 1,271 6,275 3323,276 27.126,277 27.126,278 27.126,279 27.126,280 27.126,281 24.94,282 39.026,283 16.237,284 27.916,285 21.772,286 21.772,287 21.772,288 21.772,289 21.772,290 18.356,291 58.377,292 7.714,293 23.069,294 4.566,295 2.507,296 1.545,297 1.056,298 0.944,299 0.917,300 4.412,306 1391,307 3.536,310 98.01,311 676.366,312 133.73,318 2.501,319 39.401,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 85.5,331 621,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.156,342 3.461,343 6.278,344 3.887,345 2.942,346 3.656,347 0.86,348 9.552,349 2.8,350 4.069,351 3.136,352 6.022,353 3.711,354 2.754,355 3.605,356 0.86,357 8.657,358 2.654,359 3.976,360 2.834,361 5.6,362 3.649,363 2.686,364 3.19,365 0.8,366 7.721,367 2.55,368 3.782,369 2.786,370 5.42,371 3.47,372 2.502,373 3.063,374 0.8,375 7.192,376 2.407,377 3.569,378 2.508,379 5.261,380 3.232,381 2.265,382 2.854,383 0.247,384 6.556,385 2.186,386 3.378,387 2.365,388 5.17,389 3.064,390 2.125,391 2.554,393 6.379,394 1.986,395 3.243,396 2.307,397 5.086,398 2.851,399 1.879,400 2.428,402 5.839,403 1.822,404 2.927,405 2.258,406 4.637,407 2.826,408 1.833,409 2.003,411 4.973,412 1.809,413 2.879,414 2.016,415 4.487,416 2.646,417 1.749,418 1.879,420 4.493,421 1.562,422 2.743,423 1.883,424 4.202,425 2.288,426 1.371,427 1.821,428 3.721,429 1.255,430 2.5,431 1.519,432 3.853,433 2.166,434 1.281,435 1.5,436 2.871,437 1.12,438 2.5,439 1.513,440 3.532,441 2.036,442 1.101,443 1.5,445 2.608,446 1.019,447 2.323,448 1.277,449 3.488,450 2,451 1.052,452 1.32,454 2.275,455 1,456 2.2,457 1.256,458 3.414,459 2,460 1,461 1.177,463 2.275,464 1,465 18.133,466 0.465,467 0.773,468 0.02,469 49,470 1.256,471 21.5,472 0.551,473 27.5,474 0.705,475 36.437,476 0.934,477 43.067,478 0.598,479 40.215,480 1.031,481 9.434,482 0.242,483 9.723,484 0.249,485 0.037,487 0.32,493 0.9,494 1.538,495 0.789,496 1.208,497 0.741,498 1.009,499 1.022,500 1.024,501 0.967,502 0.998,503 0.724,504 0.988,505 1.017,506 1.154,507 1.006,508 0.999,509 0.844,510 0.995,511 0.863,512 1.183,513 0.936,514 1.036,515 0.765,516 0.992,517 1.131,518 0.94,519 0.934,520 0.729,521 1.34,522 0.759,523 1.167,524 1.182,525 1.076,526 0.999,527 1.206,528 0.997,529 0.79,530 0.952,531 1.13,532 1.022,533 0.601,534 1.096,535 0.514,536 1.133,537 1.081,538 1.432,539 0.635,540 1.389,541 7,542 0.136,543 3.556,544 1.938,545 1.37,546 1.472,547 1.008,548 0.398,549 0.329,550 0.347,551 27835,552 69825,553 2.187,554 45.8,556 24,559 3,561 6,564 1.792,565 2.108,566 3.834,567 0.799,573 115.512,574 1.604,575 3.663,576 4.625,577 5.114,578 5.225,579 5.253,580 3.329,581 4.67,582 5.251,583 4.098,584 3036.63,585 9.254,586 53091.6,591 444.235,592 1.154,593 5.243,594 0.159,595 0.004,596 0.058,597 0.031,598 0.024,599 0.025,600 0.017,601 0.007,602 0.006,603 0.009,604 0.34,605 0.17,606 0.63,607 0.626,608 220.78,609 -0.074,610 -0.279,611 0.065,612 -0.094,613 -0.051,614 -0.005,615 0.044,616 0.125,617 -0.029,618 0.02,619 0.041,620 -0.028,621 -0.092,622 -0.101,623 -0.044,624 -0.011,625 -0.057,626 -0.019,627 -0.03,628 -0.152,629 0.038,630 -0.081,631 0.031,632 -0.019,633 -0.068,634 0.12,635 0.074,636 0.176,637 -0.063,638 0.164,639 -0.197,640 -0.017,641 -0.134,642 -0.024,643 -0.169,644 -0.056,645 -0.03,646 0.215,647 -0.223,648 -0.006,649 -0.042,650 -0.117,651 0.129,652 -0.13,653 -0.177,654 -0.33,655 0.06,656 -0.321,657 2.002,658 5.528,659 0.821,660 52.251,661 1.007,662 1.135,663 3.168,664 10.036,665 0.649,666 3.807,667 4.127,668 4.419,669 4.718,670 4.97,671 5.081,672 5.273,673 5.434,674 5.587,675 5.74,676 9.078,677 0.623,678 531.68,679 3.807,680 5.352,681 6.209,682 7.089,683 7.962,684 8.85,685 9.731,686 10.624,687 11.511,688 12.407,689 9.7,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 72,733 19,734 2,735 44,737 77,738 28,739 15,740 4,741 8,746 6,747 7,751 1,752 1,755 4,758 5,761 16,762 12,766 1,771 1,775 1,781 33,782 11,783 3,784 11,790 7,794 0.833,795 4,796 1,808 1,811 1,812 5,813 1,838 1,839 2,840 5,848 39,853 1,854 10,855 2,856 2,858 2,859 2,870 5.6,871 1,873 1,874 2,877 18.5,878 12.533,879 8.556,880 4.424,881 3.258,882 1.373,883 0.977,884 7.997,885 11.994,886 4.007,887 4.538,888 5.058,889 5.619,890 6.163,891 6.414,892 6.85,893 7.224,894 7.539,895 7.91,896 1,897 62,898 14.481,900 6.249,901 7.679,902 28.017,904 23.599,905 2.179,906 85,910 353.133,911 128.281,912 92.627,914 89.828,917 128.281,918 442.961,919 92.627,921 66.206,922 118.493,923 97.501,924 20.461,925 8.074,926 353.133,928 353.133,929 220.908,930 89.828,933 284.834,934 95.772,935 64.683,937 70.004,938 98.219,939 50.357,941 353.133,942 182.455,943 128.281,946 353.133,947 52.471,948 82.059,949 36.022,950 140.185,951 353.133,952 182.455,953 128.281,955 0.574,956 0.335,957 0.19,958 0.104,959 30,960 12,961 0.091,962 7,963 2,964 1.094,965 5.032,966 392.4,967 0.125,968 31,969 188.131,974 26.111,975 11.945,976 6.057,978 182.455,979 14.918,980 14.639,984 5.155,986 78.705,987 663.869,988 54,993 12.528,997 -0.336,999 72.509,1000 81.723,1001 0.26,1002 0.594,1003 0.75,1004 0.829,1005 0.847,1006 0.851,1007 5.26,1008 1.879,1009 6.176,1010 6.379,1011 4.812,1012 5.226,1013 2.368,1014 6.974,1015 4.703,1016 6.42,1017 1.833,1018 7.717,1019 5.839,1020 4.29,1021 4.879,1022 1.404,1023 7.82,1024 4.14,1025 7.701,1026 1.749,1027 9.357,1028 4.973,1029 6.389,1030 7.285,1031 2.66,1032 10.937,1033 6.172,1034 9.013,1035 1.371,1036 11.057,1037 4.493,1038 6.711,1039 7.74,1040 2.382,1041 12.656,1042 6.44,1043 10.357,1044 1.281,1045 12.797,1046 3.721,1047 8.24,1048 9.629,1049 3.324,1050 15.276,1051 7.909,1052 11.722,1053 1.101,1054 14.566,1055 2.871,1056 8.971,1057 10.47,1058 3.421,1059 17.379,1060 8.572,1061 13.105,1062 1.052,1063 16.358,1064 2.608,1065 10.258,1066 12.124,1067 4.179,1068 19.838,1069 9.8,1070 3.22,1071 1,1072 18.166,1073 2.275,1074 11.194,1075 13.177,1076 4.467,1077 22.112,1078 10.66,1079 2.942,1080 11.296,1081 19.989,1082 2.275,1083 12.38,1084 14.709,1085 5.118,1086 24.523,1087 11.784,1088 2.754,1089 9.552,1090 21.824,1091 4.057,1092 13.418,1093 15.888,1094 5.504,1095 26.872,1096 12.742,1097 2.686,1098 8.657,1099 23.668,1100 3.656,1101 14.566,1102 17.352,1103 6.093,1104 29.275,1105 13.823,1106 2.502,1107 7.721,1108 25.522,1109 3.605,1110 15.655,1111 18.609,1112 6.531,1113 31.659,1114 14.832,1115 2.265,1116 7.192,1117 27.384,1118 3.19,1119 16.793,1120 20.034,1121 7.084,1122 34.064,1123 15.898,1124 2.125,1125 6.556,1126 29.251,1127 3.063,1128 17.908,1129 21.34,1130 7.551,1131 36.464,1132 16.934,1133 25553,1134 40611,1135 30.512,1136 46.756,1137 65.863,1138 67.226,1139 66.76,1140 65.497,1141 65.497,1142 79.732,1143 10.446,1144 186.174,1145 61.883,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 12.742,1156 1.497,1157 1.528,1158 1.517,1159 1.489,1160 1.489,1161 1.812,1162 0.237,1163 4.231,1164 1.406,1165 4.043,1166 4.092,1167 3.995,1168 3.914,1169 7.431,1170 3.923,1171 3.937,1172 3.975,1173 3.873,1174 3.852,1175 6.456,1176 3.851,1177 3.897,1178 3.935,1179 3.821,1180 3.776,1181 5.078,1182 3.783,1183 3.793,1184 3.848,1185 3.704,1186 3.579,1187 4.748,1188 3.604,1189 3.585,1190 3.64,1191 3.511,1192 3.353,1193 4.697,1194 3.387,1195 3.485,1196 3.539,1197 3.391,1198 3.277,1199 4.631,1200 3.289,1201 3.32,1202 3.366,1203 3.205,1204 3.049,1205 4.595,1206 3.092,1207 3.144,1208 3.206,1209 2.956,1210 2.951,1211 4.075,1212 2.926,1213 0.101,1214 0.081,1215 0.155,1216 0.094,1217 0.073,1218 4.431,1219 0.092,1220 3.562,1221 0.038,1222 6.817,1223 0.257,1224 4.146,1225 0.068,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.937,1232 1.907,1233 2.046,1234 2.075,1235 1.255,1236 2.055,1237 1.915,1238 1.886,1239 2.014,1240 2.023,1241 1.213,1242 2.025,1243 1.748,1244 1.693,1245 1.921,1246 1.953,1247 1.208,1248 1.95,1249 1.662,1250 1.608,1251 1.86,1252 1.904,1253 1.187,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.099,1260 1.798,1261 1.458,1262 1.405,1263 1.681,1264 1.72,1265 0.854,1266 1.695,1267 1.415,1268 1.36,1269 1.531,1270 1.657,1271 0.825,1272 1.642,1273 1.193,1274 1.146,1275 1.513,1276 1.5,1277 0.513,1278 1.463,1279 4.489,1281 5.808,1282 2.398,1283 7.324,1284 4.844,1285 8.929,1286 6.986,1287 10.581,1294 9.057,1295 6.993,1296 5.698,1297 11.314,1299 0.569,1300 4.465,1305 44.857,1306 115.512,1307 263.763,1308 333.015,1309 368.235,1310 376.235,1311 378.235,1312 63.729,1313 8.735,1314 124.97,1315 124.97,1316 35,1317 12.934,1318 4.322,1319 3.459,1320 55.352,1321 209,1322 276,1323 0.124,1324 269.267,1325 471.86,1326 648.771,1327 88111,1329 26.606,1330 0.682,1331 0.558,1332 26.606,1333 21.753,1334 19.157,1335 0.435,1336 0.307,1337 13.246,1338 18.23,1339 13.073,1340 10.677,1341 19.157,1342 13.492,1343 17.024,1344 0.279,1345 0.164,1346 17.024,1347 10.015,1348 14.517,1349 0.177,1350 0.09,1351 14.517,1352 7.39,1353 12.722,1354 0.115,1355 0.048,1356 12.722,1357 5.338,1358 10.479,1359 0.073,1360 0.025,1361 10.479,1362 3.59,1363 0.2,1364 121.345,1365 0.181,1366 35.634,1367 0.328,1368 210,1369 614.248,1370 235.729,1371 579.257,1372 796.99,1373 548,1374 248,1375 583.72,1376 273.845,1377 584.732,1378 865.93,1379 552,1380 7.854}
{0 CHEMBL1258354,1 1.638,2 9.24,3 2.404,4 5.78,5 96.299,6 7.565,7 0.571,8 3.943,9 4.069,10 3.538,11 3.373,12 5.028,13 3.392,14 4.491,15 4.681,16 3.879,17 3.739,18 5.53,19 3.748,20 4.628,21 4.831,22 3.899,23 3.85,24 5.636,25 3.826,26 4.664,27 4.897,28 3.831,29 3.843,30 5.659,31 3.782,32 4.627,33 4.871,34 3.793,35 3.804,36 5.58,37 3.752,38 4.572,39 4.778,40 3.823,41 3.834,42 5.557,43 3.798,44 4.702,45 4.939,46 3.776,47 3.869,48 5.624,49 3.796,50 4.68,51 4.928,52 3.579,53 3.765,54 5.603,55 3.645,56 0.078,57 0.721,58 9.348,59 3.524,60 7.17,61 4.878,62 0.438,63 1.098,64 19.171,65 5.528,66 25.216,67 7.798,68 0.418,69 1.247,70 21.974,71 6.197,72 27.016,73 9.387,74 0.488,75 1.267,76 23.216,77 6.867,78 33.751,79 10.473,80 0.453,81 1.191,82 23.044,83 6.378,84 32.066,85 10.109,86 0.346,87 1.215,88 20.159,89 5.692,90 22.667,91 8.837,92 0.437,93 1.246,94 24.464,95 7.156,96 27.751,97 11.045,98 0.54,99 1.081,100 24.977,101 7.996,102 38.5,103 11.897,104 6,105 39,106 0.282,107 0.644,108 0.802,109 0.833,110 0.833,111 0.833,112 3.268,113 0.876,114 -4.04,115 -3.99,116 -3.77,119 37.8,124 2,125 4,142 4,143 1,144 2,145 1,147 1,150 1,161 1,166 1,172 2,174 4,175 6,178 1,180 3,183 3,186 2,187 1,192 1,195 1,198 3,199 4,202 5,204 1,207 2,211 3,212 1,220 1,223 1,224 10,232 1,236 1,237 5,240 1,249 5,250 4,263 2,275 925,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 15.444,282 27.417,283 10.262,284 18.011,285 13.797,286 13.797,287 13.797,288 13.797,289 13.797,290 10.88,291 43.718,292 4.837,293 14.839,294 3.854,295 1.754,296 0.834,297 0.656,298 0.656,299 0.656,300 3.968,303 1,304 1,305 1,306 505,307 2.449,310 52.281,311 202.967,314 94.137,318 1.309,319 18.953,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55,331 231,332 4.64,333 3.294,334 6.725,335 4.149,336 3.204,337 4.603,338 0.86,339 10.956,340 3.034,341 4.077,342 3.001,343 6.096,344 3.661,345 2.734,346 3.678,347 0.86,348 8.881,349 2.585,350 3.938,351 2.909,352 5.739,353 3.644,354 2.697,355 3.316,356 0.8,357 7.962,358 2.494,359 3.665,360 2.571,361 5.494,362 3.258,363 2.328,364 3.038,365 0.4,366 7.125,367 2.161,368 3.297,369 2.303,370 4.944,371 2.901,372 1.96,373 2.555,375 5.686,376 1.837,377 3.02,378 2.139,379 4.541,380 2.719,381 1.815,382 2.106,384 4.672,385 1.633,386 2.746,387 1.568,388 4.345,389 2.285,390 1.339,391 1.842,393 3.776,394 1.265,395 2.676,396 1.446,397 3.821,398 2.197,399 1.259,400 1.754,402 2.982,403 1.182,404 2.477,405 1.275,406 3.499,407 2.11,408 1.18,409 1.471,411 2.635,412 1.083,413 2.154,414 1.256,415 3.457,416 1.952,417 1,418 1.101,420 2.27,421 0.946,422 2,423 1.002,424 3.247,425 1.797,426 0.891,427 1,428 2.136,429 0.804,430 1.584,431 0.936,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.343,439 0.174,440 2.689,441 0.959,442 0.03,443 0.038,445 0.083,446 0.028,447 0.94,448 -0.194,449 2.567,450 0.558,451 -0.364,452 -0.438,454 -0.92,455 -0.334,456 0.755,457 -0.36,458 2.523,459 0.293,460 -0.648,461 -0.816,463 -1.506,464 -0.607,465 11.567,466 0.463,467 0.516,468 0.021,469 33.5,470 1.34,471 15.5,472 0.62,473 18,474 0.72,475 18.577,476 0.743,477 27.433,478 0.61,479 23.963,480 0.959,481 6.794,482 0.272,483 5.447,484 0.218,485 0.086,487 0.329,493 0.901,494 1.619,495 0.745,496 1.297,497 0.824,498 1.035,499 1.366,500 0.959,501 0.891,502 0.784,503 1.058,504 0.761,505 1.197,506 1.271,507 1.011,508 1.005,509 1.106,510 0.976,511 0.733,512 0.982,513 1.01,514 1.037,515 1.047,516 1.059,517 0.851,518 1.01,519 0.887,520 0.844,521 0.941,522 0.853,523 1.044,524 1.195,525 1.124,526 1.049,527 0.942,528 1.063,529 0.904,530 1.046,531 1.071,532 1.06,533 0.934,534 1.072,535 0.743,536 0.947,537 1.057,538 1.166,539 0.922,540 1.177,541 4.5,542 0.033,543 2.444,544 1.507,545 1.178,546 0.864,547 0.568,548 0.313,549 0.214,550 0.138,551 6899,552 18124,553 2.154,554 44.4,556 18,558 1,559 1,564 1.686,565 2.055,566 3.198,567 -0.238,568 1,569 1,571 1,573 73.698,574 1.638,575 3.738,576 4.658,577 4.836,578 4.836,579 4.836,580 2.649,581 4.324,582 4.615,583 3.312,584 993.52,585 8.013,586 11819.3,588 1,590 1,591 247.133,592 1.26,593 4.592,594 0.161,595 0.004,596 0.063,597 0.039,598 0.034,599 0.025,600 0.016,601 0.009,602 0.009,603 0.009,604 0.367,605 0.33,606 1,607 0.663,608 118.762,609 -0.01,610 -0.365,611 0.093,612 -0.213,613 -0.007,614 -0.068,615 -0.114,616 0.147,617 0.071,618 0.177,619 0.015,620 0.152,621 -0.15,622 -0.18,623 -0.067,624 -0.036,625 -0.087,626 -0.04,627 0.1,628 0.101,629 -0.068,630 -0.09,631 -0.051,632 -0.114,633 0.009,634 0.023,635 0.075,636 0.111,637 0.011,638 0.109,639 -0.191,640 -0.037,641 -0.216,642 -0.087,643 -0.137,644 -0.133,645 -0.05,646 -0.01,647 -0.122,648 -0.088,649 -0.056,650 -0.103,651 0.195,652 -0.025,653 -0.077,654 -0.159,655 0.078,656 -0.168,657 0.982,658 1.925,659 0.84,660 19.92,661 1.01,662 1.14,663 2.806,664 7.873,665 0.651,666 3.367,667 3.689,668 3.989,669 4.277,670 4.522,671 4.625,672 4.812,673 4.956,674 5.024,675 5.063,676 5.57,677 0.628,678 340.43,679 3.367,680 4.905,681 5.765,682 6.648,683 7.527,684 8.418,685 9.306,686 10.203,687 11.096,688 11.996,689 13.3,695 1,697 2,699 3,703 2,704 5,705 3,709 4,710 1,711 16,724 1,726 1,729 1,731 45,733 16,734 1,735 28,737 48,738 17,739 11,740 2,741 4,746 4,747 5,761 11,762 6,777 1,778 1,781 20,782 7,783 1,784 8,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,848 25,854 4,855 1,856 2,859 1,870 4.4,874 1,875 1,877 12.167,878 8.75,879 5.528,880 2.571,881 3.067,882 1.413,883 0.995,884 4.53,885 10.485,886 3.611,887 4.23,888 4.857,889 5.483,890 6.02,891 6.373,892 6.811,893 7.237,894 7.457,895 7.745,896 1,897 39,898 9.194,900 3.839,901 7.6,902 17.711,904 14.272,905 2.1,906 52.5,909 1,910 223.651,911 96.143,912 73.146,914 22,917 96.143,918 245.651,919 73.146,920 19.279,921 13.396,922 37.905,923 74.72,924 53.532,925 4.227,926 211.88,928 223.651,929 169.289,930 22,933 223.651,934 11,935 11,937 45.845,938 73.21,939 50.234,941 223.651,942 95.145,943 96.143,946 223.651,947 29.912,948 71.133,949 18.011,950 72.234,951 223.651,952 95.145,953 96.143,955 0.576,956 0.343,957 0.189,958 0.105,959 20,960 8,961 0.083,962 4,963 1,964 1.095,965 3.709,966 215.117,967 0.095,968 21,969 112.096,974 16.271,975 6.96,976 3.309,977 1.671,978 93.369,979 9.524,980 13.756,984 3.101,985 1.762,986 18.011,987 414.94,988 36,999 45.451,1000 51.315,1001 0.298,1002 0.681,1003 0.848,1004 0.881,1005 0.881,1006 0.881,1007 4.844,1008 1.259,1009 5.74,1010 3.776,1011 4.369,1012 4.916,1013 1.656,1014 6.553,1015 4.234,1016 6.043,1017 1.18,1018 7.294,1019 2.982,1020 3.892,1021 4.745,1022 0.325,1023 7.434,1024 3.702,1025 7.352,1026 1,1027 8.948,1028 2.635,1029 5.958,1030 7.164,1031 1.308,1032 10.555,1033 5.702,1034 8.7,1035 0.891,1036 10.662,1037 2.27,1038 6.33,1039 7.875,1040 0.268,1041 12.288,1042 6.019,1043 10.085,1044 0.43,1045 12.416,1046 2.136,1047 7.837,1048 9.753,1049 1.064,1050 14.914,1051 7.468,1052 11.495,1053 0.03,1054 14.197,1055 0.627,1056 8.608,1057 10.884,1058 0.188,1059 17.007,1060 8.186,1061 12.925,1062 -0.364,1063 15.998,1064 0.083,1065 9.886,1066 12.544,1067 0.862,1068 19.467,1069 9.411,1070 3.204,1071 -0.648,1072 17.815,1073 -0.92,1074 10.851,1075 13.881,1076 0.125,1077 21.72,1078 10.321,1079 2.734,1080 10.956,1081 19.644,1082 -1.506,1083 12.037,1084 15.452,1085 0.69,1086 24.124,1087 11.456,1088 2.697,1089 8.881,1090 21.483,1091 4.603,1092 13.095,1093 16.888,1094 0.082,1095 26.45,1096 12.461,1097 2.328,1098 7.962,1099 23.331,1100 3.678,1101 14.249,1102 18.426,1103 0.544,1104 28.838,1105 13.564,1106 1.96,1107 7.125,1108 25.186,1109 3.316,1110 15.352,1111 19.908,1112 0.054,1113 31.197,1114 14.614,1115 1.815,1116 5.686,1117 27.046,1118 3.038,1119 16.497,1120 21.435,1121 0.424,1122 33.583,1123 15.708,1124 1.339,1125 4.672,1126 28.912,1127 2.555,1128 17.625,1129 22.94,1130 0.035,1131 35.958,1132 16.783,1133 6549,1134 10744,1135 19.186,1136 29.273,1137 41.804,1138 42.395,1139 42.878,1140 41.707,1141 41.736,1142 53.97,1143 5.84,1144 119.58,1145 38.842,1146 5.64,1147 5.294,1148 6.526,1149 5.253,1150 5.204,1151 7.603,1152 1.72,1153 18.13,1154 5.034,1155 9.064,1156 1.493,1157 1.514,1158 1.531,1159 1.49,1160 1.491,1161 1.928,1162 0.209,1163 4.271,1164 1.387,1165 4.106,1166 4.161,1167 4.085,1168 3.931,1169 5.144,1170 3.962,1171 3.887,1172 3.916,1173 3.831,1174 3.791,1175 4.868,1176 3.798,1177 3.755,1178 3.816,1179 3.647,1180 3.528,1181 4.656,1182 3.547,1183 3.369,1184 3.451,1185 3.287,1186 3.089,1187 4.534,1188 3.124,1189 3.243,1190 3.311,1191 3.085,1192 2.965,1193 4.393,1194 2.978,1195 3.111,1196 3.206,1197 2.955,1198 2.941,1199 4.068,1200 2.91,1201 3.061,1202 3.131,1203 2.866,1204 2.827,1205 3.744,1206 2.853,1207 2.963,1208 3.058,1209 2.769,1210 2.775,1211 3.663,1212 2.763,1213 0.166,1214 0.118,1215 0.24,1216 0.148,1217 0.114,1218 4.64,1219 0.164,1220 3.294,1221 0.031,1222 6.725,1223 0.391,1224 4.149,1225 0.108,1226 3.204,1227 4.603,1228 0.86,1229 10.956,1230 3.034,1231 1.909,1232 1.879,1233 2.001,1234 2.072,1235 1.201,1236 2.045,1237 1.808,1238 1.769,1239 1.934,1240 1.971,1241 1.077,1242 1.965,1243 1.638,1244 1.587,1245 1.8,1246 1.864,1247 0.94,1248 1.849,1249 1.437,1250 1.345,1251 1.658,1252 1.731,1253 0.825,1254 1.709,1255 1.198,1256 1.126,1257 1.569,1258 1.513,1259 0.688,1260 1.53,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.573,1266 1.429,1267 0.983,1268 0.913,1269 1.202,1270 1.258,1271 0.283,1272 1.25,1273 0.947,1274 0.877,1275 1.176,1276 1.195,1277 0.228,1278 1.194,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.727,1285 8.494,1286 6.823,1287 10.155,1289 3.535,1295 2.931,1296 3.372,1297 10.716,1300 2.132,1305 28.246,1306 73.698,1307 168.221,1308 209.624,1309 217.624,1310 217.624,1311 217.624,1312 28.438,1313 7.418,1314 77.33,1315 77.33,1316 23,1317 12.52,1318 4.087,1319 3.17,1320 35.669,1321 81,1322 90,1323 0.212,1324 172.533,1325 285.62,1326 412.741,1327 15756,1329 17.225,1330 0.689,1331 0.571,1332 17.225,1333 14.268,1334 12.242,1335 0.437,1336 0.292,1337 7.979,1338 11.49,1339 7.786,1340 6.439,1341 12.242,1342 8.179,1343 10.815,1344 0.277,1345 0.15,1346 10.815,1347 5.834,1348 9.443,1349 0.178,1350 0.079,1351 9.443,1352 4.207,1353 7.984,1354 0.112,1355 0.04,1356 7.984,1357 2.848,1358 6.576,1359 0.072,1360 0.021,1361 6.576,1362 1.887,1363 0.324,1364 78.478,1365 0.228,1366 23.878,1367 0.611,1368 134,1369 416.029,1370 152.413,1371 391.847,1372 547.42,1373 372,1374 159,1375 414.348,1376 178.886,1377 415.561,1378 610.1,1379 389,1380 6.79}
{0 CHEMBL1258355,1 1.613,2 9.846,3 2.149,4 4.619,5 100.949,6 7.385,7 0.552,8 3.997,9 4.126,10 3.562,11 3.443,12 5.084,13 3.449,14 4.544,15 4.736,16 3.924,17 3.833,18 5.581,19 3.823,20 4.758,21 4.973,22 3.957,23 3.951,24 5.77,25 3.912,26 4.806,27 5.055,28 3.873,29 3.919,30 5.806,31 3.845,32 4.685,33 4.939,34 3.811,35 3.855,36 5.597,37 3.796,38 4.628,39 4.836,40 3.881,41 3.887,42 5.689,43 3.849,44 4.752,45 4.989,46 3.819,47 3.937,48 5.68,49 3.863,50 4.749,51 4.997,52 3.672,53 3.871,54 5.693,55 3.748,56 0.083,57 0.764,58 10.373,59 3.856,60 10.747,61 5.422,62 0.357,63 1.189,64 20.14,65 6.264,66 24.967,67 9.075,68 0.372,69 1.376,70 25.799,71 7.4,72 36.799,73 11.362,74 0.646,75 1.372,76 28.312,77 7.861,78 49.86,79 12.167,80 0.363,81 1.26,82 24.773,83 6.786,84 29.695,85 10.992,86 0.437,87 1.285,88 21.959,89 5.901,90 35.808,91 9.489,92 0.337,93 1.336,94 25.801,95 7.513,96 27.76,97 11.772,98 0.565,99 1.206,100 26.614,101 8.532,102 40.658,103 12.941,104 11,105 41,106 0.274,107 0.651,108 0.817,109 0.845,110 0.845,111 0.845,112 3.305,113 0.898,114 -4.27,115 -4.21,116 -3.98,119 37.5,121 2,124 2,125 2,127 1,142 4,143 1,144 2,145 1,147 1,150 1,161 1,166 1,172 2,174 4,175 8,178 1,180 5,183 4,186 1,187 1,192 1,195 1,198 3,199 8,202 6,204 1,207 2,211 1,212 1,220 1,223 1,224 12,227 2,229 2,232 3,237 6,249 4,250 4,253 1,254 1,255 1,258 4,266 1,271 2,275 1032,276 17.765,277 17.765,278 17.765,279 17.765,280 17.765,281 15.891,282 28.798,283 10.349,284 18.34,285 14.264,286 14.264,287 14.264,288 14.264,289 14.264,290 11.347,291 46.75,292 4.874,293 15.16,294 3.972,295 1.754,296 0.781,297 0.615,298 0.615,299 0.615,300 4.003,303 1,304 1,305 1,306 557,307 2.55,310 55.888,311 214.274,314 100.249,318 1.396,319 22.525,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 256,332 4.64,333 3.294,334 6.725,335 4.15,336 3.204,337 4.603,338 0.86,339 10.956,340 3.034,341 4.077,342 3.005,343 6.102,344 3.692,345 2.765,346 3.678,347 0.8,348 8.902,349 2.586,350 3.949,351 2.91,352 5.739,353 3.655,354 2.697,355 3.318,356 0.4,357 7.962,358 2.555,359 3.67,360 2.575,361 5.494,362 3.282,363 2.348,364 3.041,366 7.127,367 2.187,368 3.358,369 2.522,370 5.045,371 3.194,372 2.256,373 2.556,375 6.093,376 2.106,377 3.291,378 2.151,379 4.944,380 2.893,381 1.948,382 2.403,384 5.684,385 1.833,386 2.799,387 1.649,388 4.428,389 2.41,390 1.493,391 1.901,393 4.24,394 1.366,395 2.71,396 1.448,397 4.332,398 2.279,399 1.324,400 1.788,402 3.776,403 1.261,404 2.641,405 1.277,406 3.761,407 2.176,408 1.201,409 1.687,411 2.685,412 1.167,413 2.319,414 1.077,415 3.491,416 1.984,417 1,418 1.264,420 2.442,421 0.983,422 2,423 1.021,424 3.414,425 1.875,426 0.947,427 1,428 2.275,429 0.877,430 1.584,431 0.936,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.345,439 0.181,440 2.699,441 0.96,442 0.032,443 0.04,445 0.086,446 0.029,447 1.021,448 0.171,449 2.654,450 0.791,451 -0.132,452 -0.141,454 -0.303,455 -0.12,456 0.777,457 -0.3,458 2.532,459 0.424,460 -0.501,461 -0.611,463 -1.21,464 -0.46,465 12.067,466 0.464,467 0.623,468 0.024,469 33.75,470 1.298,471 15.5,472 0.596,473 18.25,474 0.702,475 21.041,476 0.809,477 28.733,478 0.599,479 24.404,480 0.939,481 6.578,482 0.253,483 6.058,484 0.233,485 0.11,487 0.356,493 0.935,494 1.549,495 0.793,496 1.225,497 0.938,498 1.021,499 1.08,500 1.042,501 0.86,502 0.908,503 0.836,504 0.855,505 1.199,506 1.298,507 1.002,508 1.07,509 1.209,510 1.011,511 0.92,512 0.881,513 1.028,514 0.921,515 1.141,516 0.981,517 0.909,518 1.051,519 0.871,520 0.839,521 0.686,522 0.829,523 1.004,524 1.145,525 1.131,526 0.988,527 0.676,528 1.037,529 0.992,530 1.111,531 1.09,532 1.074,533 0.768,534 1.072,535 0.629,536 0.961,537 1.055,538 1.143,539 0.747,540 1.172,541 5.5,542 0.058,543 2.889,544 1.569,545 1.369,546 0.976,547 0.646,548 0.385,549 0.324,550 0.203,551 7658,552 19701,553 2.124,554 45.8,556 15,558 1,559 2,562 4,564 1.696,565 2,566 3.27,567 0.327,568 1,569 1,573 77.402,574 1.613,575 3.831,576 4.804,577 4.97,578 4.97,579 4.97,580 2.705,581 4.393,582 4.67,583 3.388,584 1101.15,585 8.123,586 13483.4,588 1,590 1,591 268.078,592 1.37,593 4.637,594 0.19,595 0.005,596 0.07,597 0.038,598 0.038,599 0.027,600 0.017,601 0.011,602 0.012,603 0.01,604 0.418,605 0.17,606 1,607 0.721,608 125.541,609 -0.037,610 -0.28,611 0.068,612 -0.12,613 -0.091,614 -0.028,615 -0.016,616 0.103,617 0.082,618 0.091,619 0.037,620 0.095,621 -0.157,622 -0.233,623 -0.042,624 -0.088,625 -0.108,626 -0.054,627 0.087,628 0.147,629 -0.042,630 0.007,631 -0.097,632 -0.043,633 -0.088,634 -0.019,635 0.094,636 0.116,637 -0.046,638 0.139,639 -0.088,640 0.039,641 -0.201,642 -0.037,643 0.043,644 -0.114,645 -0.166,646 -0.046,647 -0.146,648 -0.096,649 -0.078,650 -0.102,651 0.238,652 0.008,653 -0.094,654 -0.137,655 0.062,656 -0.17,657 1.568,658 3.75,659 0.808,660 21.799,661 1.007,662 1.14,663 3.043,664 9.262,665 0.647,666 3.401,667 3.738,668 4.025,669 4.304,670 4.564,671 4.682,672 4.844,673 5.011,674 5.112,675 5.17,676 5.807,677 0.62,678 354.46,679 3.401,680 4.949,681 5.808,682 6.693,683 7.572,684 8.464,685 9.352,686 10.249,687 11.142,688 12.042,689 12.5,695 1,697 2,699 3,703 2,704 5,705 3,709 4,710 1,711 16,724 1,726 1,729 1,731 48,733 16,734 1,735 29,737 51,738 18,739 11,740 2,741 4,746 4,747 5,755 3,758 3,761 11,762 7,777 1,778 1,781 22,782 7,783 2,784 8,790 6,794 0.75,795 2,797 1,803 1,806 1,811 1,812 3,815 1,838 1,840 3,844 2,848 26,853 1,854 4,855 1,856 1,858 1,859 1,870 4.2,871 1,875 1,877 13,878 9.117,879 5.694,880 2.804,881 3.057,882 1.407,883 0.96,884 4.763,885 10.573,886 3.638,887 4.259,888 4.872,889 5.491,890 6.03,891 6.386,892 6.821,893 7.255,894 7.492,895 7.794,896 0.857,897 41,898 9.59,900 4.064,901 7.667,902 18.451,904 15.167,905 2.167,906 56.333,910 235.422,911 92.028,912 73.146,914 53.683,917 92.028,918 289.105,919 73.146,920 19.279,921 9.28,922 80.588,923 63.72,924 53.532,925 4.227,926 223.651,928 235.422,929 165.173,930 53.683,933 188.338,934 58.084,935 42.683,937 41.73,938 73.21,939 50.234,941 235.422,942 126.829,943 92.028,946 235.422,947 25.796,948 71.133,949 18.011,950 103.917,951 235.422,952 126.829,953 92.028,955 0.583,956 0.343,957 0.183,958 0.104,959 21,960 9,961 0.078,962 4,963 1,964 1.095,965 3.77,966 226.817,967 0.095,968 21,969 118.211,974 17.218,975 7.193,976 3.543,977 1.627,978 125.052,979 9.47,980 13.751,984 3.015,985 1.746,986 60.694,987 454.279,988 37,999 48.334,1000 54.73,1001 0.289,1002 0.686,1003 0.86,1004 0.89,1005 0.89,1006 0.89,1007 4.883,1008 1.324,1009 5.796,1010 4.24,1011 4.419,1012 4.945,1013 1.324,1014 6.611,1015 4.3,1016 6.087,1017 1.201,1018 7.356,1019 3.776,1020 4.007,1021 4.796,1022 0.325,1023 7.496,1024 3.814,1025 7.398,1026 1,1027 9.011,1028 2.685,1029 6.019,1030 7.182,1031 0.958,1032 10.597,1033 5.785,1034 8.745,1035 0.947,1036 10.723,1037 2.442,1038 6.415,1039 7.894,1040 0.268,1041 12.315,1042 6.104,1043 10.125,1044 0.43,1045 12.471,1046 2.275,1047 7.894,1048 9.761,1049 0.736,1050 14.935,1051 7.547,1052 11.531,1053 0.032,1054 14.246,1055 0.627,1056 8.67,1057 10.891,1058 0.188,1059 17.019,1060 8.251,1061 12.956,1062 -0.132,1063 16.04,1064 0.086,1065 9.934,1066 12.547,1067 0.57,1068 19.477,1069 9.476,1070 3.204,1071 -0.501,1072 17.851,1073 -0.303,1074 10.896,1075 13.883,1076 0.125,1077 21.726,1078 10.373,1079 2.765,1080 10.956,1081 19.674,1082 -1.21,1083 12.075,1084 15.454,1085 0.439,1086 24.129,1087 11.508,1088 2.697,1089 8.902,1090 21.508,1091 4.603,1092 13.13,1093 16.889,1094 0.082,1095 26.453,1096 12.502,1097 2.348,1098 7.962,1099 23.351,1100 3.678,1101 14.279,1102 18.427,1103 0.334,1104 28.841,1105 13.604,1106 2.256,1107 7.127,1108 25.202,1109 3.318,1110 15.38,1111 19.909,1112 0.054,1113 31.199,1114 14.647,1115 1.948,1116 6.093,1117 27.06,1118 3.041,1119 16.522,1120 21.435,1121 0.252,1122 33.585,1123 15.74,1124 1.493,1125 5.684,1126 28.923,1127 2.556,1128 17.647,1129 22.94,1130 0.035,1131 35.96,1132 16.809,1133 7309,1134 11850,1135 19.592,1136 31.034,1137 43.593,1138 43.625,1139 45.01,1140 43.301,1141 43.293,1142 55.521,1143 4.12,1144 125.709,1145 40.703,1146 5.64,1147 5.294,1148 6.317,1149 5.229,1150 5.204,1151 7.603,1152 1.72,1153 18.131,1154 5.034,1155 11.53,1156 1.503,1157 1.504,1158 1.552,1159 1.493,1160 1.493,1161 1.915,1162 0.142,1163 4.335,1164 1.404,1165 4.108,1166 4.163,1167 4.086,1168 3.934,1169 6.449,1170 3.964,1171 3.887,1172 3.916,1173 3.831,1174 3.792,1175 5.143,1176 3.799,1177 3.82,1178 3.881,1179 3.704,1180 3.655,1181 4.868,1182 3.657,1183 3.391,1184 3.473,1185 3.316,1186 3.111,1187 4.597,1188 3.15,1189 3.254,1190 3.319,1191 3.112,1192 2.976,1193 4.405,1194 2.996,1195 3.138,1196 3.212,1197 2.998,1198 2.941,1199 4.152,1200 2.92,1201 3.111,1202 3.206,1203 2.866,1204 2.908,1205 4.003,1206 2.91,1207 2.963,1208 3.059,1209 2.773,1210 2.776,1211 3.743,1212 2.764,1213 0.16,1214 0.114,1215 0.232,1216 0.143,1217 0.11,1218 4.64,1219 0.159,1220 3.294,1221 0.03,1222 6.725,1223 0.378,1224 4.15,1225 0.105,1226 3.204,1227 4.603,1228 0.86,1229 10.956,1230 3.034,1231 1.913,1232 1.88,1233 2.027,1234 2.081,1235 1.366,1236 2.06,1237 1.836,1238 1.792,1239 1.99,1240 1.985,1241 1.079,1242 1.989,1243 1.722,1244 1.679,1245 1.821,1246 1.896,1247 0.949,1248 1.882,1249 1.437,1250 1.345,1251 1.66,1252 1.734,1253 0.825,1254 1.711,1255 1.198,1256 1.127,1257 1.569,1258 1.514,1259 0.69,1260 1.531,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.574,1266 1.429,1267 1.087,1268 1.02,1269 1.316,1270 1.365,1271 0.536,1272 1.353,1273 0.955,1274 0.886,1275 1.185,1276 1.198,1277 0.228,1278 1.199,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.727,1285 8.545,1286 6.823,1287 10.206,1289 3.514,1294 9.75,1295 2.934,1296 3.363,1297 5.292,1299 -0.235,1300 2.107,1305 29.772,1306 77.402,1307 183.865,1308 230.568,1309 238.568,1310 238.568,1311 238.568,1312 36.501,1313 7.516,1314 88.33,1315 88.33,1316 23,1317 12.566,1318 4.087,1319 3.17,1320 37.8,1321 88,1322 97,1323 0.208,1324 182.125,1325 302.92,1326 436.146,1327 17787,1329 18.096,1330 0.696,1331 0.572,1332 18.096,1333 14.884,1334 12.635,1335 0.436,1336 0.299,1337 8.498,1338 11.957,1339 8.293,1340 6.869,1341 12.635,1342 8.677,1343 11.436,1344 0.279,1345 0.157,1346 11.436,1347 6.453,1348 9.854,1349 0.179,1350 0.085,1351 9.854,1352 4.66,1353 8.136,1354 0.111,1355 0.043,1356 8.136,1357 3.151,1358 6.8,1359 0.072,1360 0.023,1361 6.8,1362 2.2,1363 0.318,1364 80.418,1365 0.226,1366 24.743,1367 0.594,1368 140,1369 410.444,1370 157.638,1371 392.074,1372 546.58,1373 370,1374 166,1375 415.984,1376 184.779,1377 418.148,1378 612.81,1379 392,1380 6.367}
{0 CHEMBL1258408,1 1.583,2 15.256,3 3.681,4 13.55,5 149.458,6 7.27,7 0.409,8 4.407,9 4.536,10 3.965,11 3.867,12 5.436,13 3.867,14 4.993,15 5.183,16 4.338,17 4.281,18 6.007,19 4.257,20 5.236,21 5.454,22 4.378,23 4.452,24 6.17,25 4.388,26 5.29,27 5.546,28 4.307,29 4.406,30 6.242,31 4.321,32 5.199,33 5.454,34 4.301,35 4.325,36 6.237,37 4.27,38 5.061,39 5.27,40 4.311,41 4.318,42 6.049,43 4.28,44 5.129,45 5.328,46 4.334,47 4.45,48 6.092,49 4.384,50 5.337,51 5.559,52 4.298,53 4.576,54 6.236,55 4.438,56 0.045,57 1.157,58 15.926,59 5.995,60 9.413,61 8.535,62 0.651,63 1.85,64 32.276,65 10.239,66 45.331,67 14.611,68 0.586,69 2.228,70 42.006,71 12.867,72 46.621,73 19.475,74 0.573,75 2.24,76 45.884,77 13.349,78 61.832,79 20.995,80 0.799,81 2.047,82 42.489,83 11.145,84 83.294,85 17.866,86 0.447,87 1.958,88 34.633,89 10.291,90 42.041,91 15.63,92 0.684,93 2.116,94 36.386,95 11.908,96 43.625,97 17.533,98 0.393,99 2.328,100 45.533,101 18.965,102 59.124,103 26.509,104 11,105 62,106 0.245,107 0.542,108 0.697,109 0.757,110 0.785,111 0.79,112 3.693,113 0.916,114 -4.4,115 -4.33,116 -4.08,119 38.4,121 2,124 2,125 6,127 2,142 8,143 1,144 3,149 1,150 2,159 1,172 7,174 7,175 6,178 2,179 1,180 4,183 6,186 2,187 8,192 4,195 4,198 3,199 15,204 5,211 4,212 10,215 1,217 4,224 11,227 2,229 1,232 6,236 5,237 2,240 1,245 12,249 2,250 4,253 5,258 10,263 8,271 2,275 3290,276 26.756,277 26.756,278 26.756,279 26.756,280 26.756,281 24.594,282 42.311,283 15.769,284 27.617,285 21.775,286 21.775,287 21.775,288 21.775,289 21.775,290 18.375,291 66.692,292 7.539,293 23.175,294 4.607,295 2.689,296 1.685,297 1.302,298 1.117,299 1.089,300 4.41,306 1331,307 3.674,310 97.961,311 675.927,312 133.657,318 2.391,319 33.644,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 85,331 595,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.158,342 3.461,343 6.278,344 3.887,345 2.942,346 3.693,347 0.86,348 9.552,349 2.8,350 4.119,351 3.136,352 6.022,353 3.763,354 2.804,355 3.609,356 0.86,357 8.657,358 2.688,359 3.983,360 2.982,361 5.932,362 3.675,363 2.731,364 3.192,365 0.8,366 8.25,367 2.557,368 3.812,369 2.832,370 5.553,371 3.521,372 2.57,373 3.078,374 0.8,375 7.558,376 2.433,377 3.633,378 2.521,379 5.318,380 3.3,381 2.347,382 2.924,383 0.8,384 6.857,385 2.232,386 3.397,387 2.44,388 5.242,389 3.076,390 2.142,391 2.573,392 0.247,393 6.41,394 1.996,395 3.274,396 2.315,397 5.086,398 2.86,399 1.879,400 2.452,402 5.839,403 1.835,404 2.927,405 2.258,406 4.659,407 2.851,408 1.871,409 2.004,411 5.03,412 1.822,413 2.879,414 2.016,415 4.49,416 2.646,417 1.751,418 1.879,420 4.498,421 1.563,422 2.744,423 1.883,424 4.204,425 2.293,426 1.376,427 1.822,428 3.725,429 1.26,430 2.5,431 1.513,432 3.853,433 2.178,434 1.285,435 1.5,436 2.908,437 1.16,438 2.5,439 1.472,440 3.768,441 2.164,442 1.224,443 1.5,445 2.869,446 1.12,447 2.451,448 1.277,449 3.532,450 2,451 1.053,452 1.44,454 2.608,455 1,456 2.323,457 1.256,458 3.488,459 2,460 1,461 1.32,463 2.275,464 1,465 18.2,466 0.467,467 0.9,468 0.023,469 50,470 1.282,471 22,472 0.564,473 28,474 0.718,475 36.265,476 0.93,477 43,478 0.589,479 41.268,480 1.058,481 9.692,482 0.249,483 9.338,484 0.239,485 0.073,487 0.341,493 0.884,494 1.651,495 0.789,496 1.27,497 0.658,498 1.046,499 1.105,500 0.958,501 0.934,502 0.891,503 0.659,504 0.89,505 1.09,506 1.211,507 1.047,508 1.058,509 0.921,510 1.043,511 0.914,512 1.149,513 0.956,514 1.027,515 0.903,516 0.993,517 1.067,518 0.911,519 0.925,520 0.758,521 1.457,522 0.79,523 1.142,524 1.179,525 1.011,526 0.993,527 1.27,528 0.966,529 0.924,530 0.906,531 1.192,532 1.008,533 0.778,534 1.1,535 0.446,536 1.157,537 1.034,538 1.46,539 0.541,540 1.379,541 7.5,542 0.169,543 4,544 2.188,545 1.41,546 1.562,547 0.968,548 0.46,549 0.304,550 0.387,551 27667,552 65615,553 2.171,554 46.6,556 28,559 2,561 4,564 1.792,565 2.071,566 3.793,567 0.187,573 115.523,574 1.583,575 3.501,576 4.505,577 4.888,578 5.073,579 5.101,580 3.237,581 4.619,582 5.253,583 4.074,584 3018.91,585 9.256,586 52768.3,591 451.857,592 1.262,593 5.234,594 0.17,595 0.005,596 0.065,597 0.035,598 0.025,599 0.027,600 0.016,601 0.008,602 0.006,603 0.01,604 0.365,605 0.17,606 0.63,607 0.556,608 220.57,609 -0.043,610 -0.376,611 0.084,612 -0.158,613 -0.023,614 -0.037,615 0.058,616 0.192,617 0.032,618 0.103,619 0.119,620 0.058,621 -0.103,622 -0.134,623 -0.084,624 -0.06,625 -0.056,626 -0.069,627 -0.035,628 -0.135,629 0.025,630 -0.066,631 0.015,632 -0.018,633 -0.011,634 0.125,635 0.081,636 0.162,637 -0.053,638 0.148,639 -0.152,640 -0.041,641 -0.055,642 -0.01,643 -0.128,644 -0.011,645 -0.049,646 0.279,647 -0.266,648 0.006,649 -0.088,650 -0.13,651 0.186,652 -0.158,653 -0.127,654 -0.343,655 0.172,656 -0.302,657 1.972,658 5.565,659 0.821,660 51.427,661 1.004,662 1.137,663 3.168,664 10.036,665 0.648,666 3.807,667 4.143,668 4.431,669 4.718,670 4.97,671 5.094,672 5.273,673 5.434,674 5.58,675 5.746,676 9.009,677 0.619,678 530.7,679 3.807,680 5.361,681 6.221,682 7.104,683 7.978,684 8.868,685 9.75,686 10.643,687 11.53,688 12.427,689 11,695 3,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 3,731 73,733 19,734 2,735 44,737 78,738 28,739 15,740 4,741 8,746 6,747 7,751 1,755 4,758 4,761 16,762 12,766 1,771 1,775 1,781 34,782 11,783 2,784 11,790 8,794 0.833,795 3,808 1,811 1,812 5,813 1,839 2,840 5,844 2,848 39,854 8,855 2,856 2,858 2,859 3,870 4.1,873 1,874 2,877 18.833,878 13.533,879 8.417,880 4.399,881 3.258,882 1.373,883 0.991,884 7.728,885 11.994,886 4.007,887 4.549,888 5.07,889 5.624,890 6.168,891 6.431,892 6.855,893 7.222,894 7.532,895 7.915,896 0.9,897 63,898 14.467,900 6.201,901 7.603,902 28.097,904 23.514,905 2.103,906 82,910 376.675,911 142.11,912 95.751,914 47.145,917 142.11,918 423.82,919 95.751,920 16.793,921 63.672,922 75.81,923 97.501,924 23.157,925 8.074,926 376.675,928 376.675,929 237.862,930 47.145,933 331.919,934 72.229,935 22,937 67.47,938 117.707,939 50.357,941 376.675,942 142.896,943 142.11,946 376.675,947 49.508,948 101.976,949 36.022,950 97.501,951 376.675,952 142.896,953 142.11,955 0.584,956 0.339,957 0.185,958 0.1,959 31,960 13,961 0.077,962 6,963 2,964 1.094,965 4.992,966 394.333,967 0.125,968 31,969 186.131,974 26.111,975 11.542,976 5.906,978 142.896,979 15.254,980 14.671,984 5.319,986 36.022,987 661.681,988 54,993 12.565,997 -0.305,999 73.283,1000 83.012,1001 0.256,1002 0.566,1003 0.728,1004 0.79,1005 0.82,1006 0.824,1007 5.27,1008 1.879,1009 6.201,1010 6.41,1011 4.828,1012 5.236,1013 2.454,1014 7.008,1015 4.711,1016 6.439,1017 1.871,1018 7.752,1019 5.839,1020 4.369,1021 4.924,1022 1.494,1023 7.879,1024 4.198,1025 7.725,1026 1.751,1027 9.402,1028 5.03,1029 6.418,1030 7.3,1031 2.692,1032 10.983,1033 6.185,1034 9.041,1035 1.376,1036 11.11,1037 4.498,1038 6.781,1039 7.776,1040 2.41,1041 12.709,1042 6.484,1043 10.388,1044 1.285,1045 12.856,1046 3.725,1047 8.284,1048 9.649,1049 3.334,1050 15.321,1051 7.929,1052 11.757,1053 1.224,1054 14.63,1055 2.908,1056 9.036,1057 10.502,1058 3.427,1059 17.42,1060 8.61,1061 13.141,1062 1.053,1063 16.424,1064 2.869,1065 10.31,1066 12.148,1067 4.182,1068 19.873,1069 9.826,1070 3.22,1071 1,1072 18.234,1073 2.608,1074 11.255,1075 13.209,1076 4.469,1077 22.14,1078 10.696,1079 2.942,1080 11.296,1081 20.058,1082 2.275,1083 12.434,1084 14.736,1085 5.119,1086 24.547,1087 11.814,1088 2.804,1089 9.552,1090 21.892,1091 4.057,1092 13.473,1093 15.919,1094 5.505,1095 26.891,1096 12.776,1097 2.731,1098 8.657,1099 23.735,1100 3.693,1101 14.617,1102 17.38,1103 6.093,1104 29.29,1105 13.854,1106 2.57,1107 8.25,1108 25.586,1109 3.609,1110 15.704,1111 18.639,1112 6.531,1113 31.67,1114 14.864,1115 2.347,1116 7.558,1117 27.444,1118 3.192,1119 16.838,1120 20.063,1121 7.084,1122 34.073,1123 15.928,1124 2.142,1125 6.857,1126 29.309,1127 3.078,1128 17.951,1129 21.369,1130 7.551,1131 36.471,1132 16.963,1133 25400,1134 39301,1135 30.224,1136 47.307,1137 66.588,1138 67.632,1139 67.46,1140 66.23,1141 66.225,1142 80.465,1143 12.046,1144 190.489,1145 62.346,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 15.635,1156 1.513,1157 1.537,1158 1.533,1159 1.505,1160 1.505,1161 1.829,1162 0.274,1163 4.329,1164 1.417,1165 4.043,1166 4.093,1167 3.995,1168 3.909,1169 7.431,1170 3.92,1171 3.934,1172 3.976,1173 3.874,1174 3.833,1175 5.078,1176 3.836,1177 3.896,1178 3.935,1179 3.821,1180 3.776,1181 4.77,1182 3.783,1183 3.793,1184 3.848,1185 3.704,1186 3.579,1187 4.7,1188 3.604,1189 3.584,1190 3.642,1191 3.511,1192 3.35,1193 4.631,1194 3.385,1195 3.49,1196 3.569,1197 3.395,1198 3.241,1199 4.596,1200 3.263,1201 3.324,1202 3.381,1203 3.204,1204 3.054,1205 4.229,1206 3.092,1207 3.144,1208 3.206,1209 2.956,1210 2.951,1211 4.072,1212 2.926,1213 0.101,1214 0.081,1215 0.155,1216 0.094,1217 0.073,1218 4.431,1219 0.092,1220 3.562,1221 0.038,1222 6.817,1223 0.257,1224 4.146,1225 0.068,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.933,1232 1.902,1233 2.026,1234 2.075,1235 1.255,1236 2.054,1237 1.899,1238 1.867,1239 2.006,1240 2.025,1241 1.208,1242 2.02,1243 1.748,1244 1.693,1245 1.921,1246 1.953,1247 1.187,1248 1.95,1249 1.662,1250 1.608,1251 1.86,1252 1.904,1253 1.114,1254 1.891,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 1.096,1260 1.798,1261 1.455,1262 1.395,1263 1.722,1264 1.732,1265 0.825,1266 1.721,1267 1.417,1268 1.337,1269 1.532,1270 1.672,1271 0.783,1272 1.651,1273 1.204,1274 1.151,1275 1.513,1276 1.505,1277 0.513,1278 1.47,1279 4.489,1281 5.82,1282 2.398,1283 7.344,1284 4.844,1285 8.953,1286 6.986,1287 10.607,1289 3.957,1295 6.368,1296 5.766,1297 11.328,1299 0.585,1300 6.492,1305 45.164,1306 115.523,1307 255.553,1308 328.838,1309 356.838,1310 370.347,1311 372.347,1312 59.453,1313 8.735,1314 107.98,1315 107.98,1316 35,1317 12.954,1318 4.322,1319 3.459,1320 55.341,1321 208,1322 241,1323 0.125,1324 272.065,1325 474.07,1326 655.598,1327 87722,1329 26.769,1330 0.686,1331 0.573,1332 26.769,1333 22.338,1334 19.03,1335 0.433,1336 0.305,1337 13.179,1338 18.076,1339 12.897,1340 10.612,1341 19.03,1342 13.44,1343 17.373,1344 0.28,1345 0.166,1346 17.373,1347 10.286,1348 14.688,1349 0.177,1350 0.089,1351 14.688,1352 7.42,1353 12.649,1354 0.114,1355 0.048,1356 12.649,1357 5.297,1358 10.348,1359 0.072,1360 0.025,1361 10.348,1362 3.534,1363 0.201,1364 120.618,1365 0.182,1366 35.58,1367 0.33,1368 212,1369 603.743,1370 238.039,1371 573.238,1372 794.73,1373 542,1374 251,1375 592.318,1376 278.013,1377 596.508,1378 879.97,1379 560,1380 8.456}
{0 CHEMBL1258468,1 1.589,2 9.444,3 3.159,4 9.98,5 105.135,6 7.225,7 0.533,8 4.049,9 4.179,10 3.603,11 3.487,12 5.105,13 3.49,14 4.611,15 4.808,16 3.977,17 3.861,18 5.621,19 3.858,20 4.798,21 4.998,22 4.004,23 3.992,24 5.785,25 3.959,26 4.862,27 5.114,28 3.953,29 4.024,30 5.791,31 3.947,32 4.828,33 5.068,34 3.923,35 4.009,36 5.758,37 3.928,38 4.858,39 5.12,40 3.927,41 4.001,42 5.77,43 3.94,44 4.803,45 5.028,46 3.927,47 4.012,48 5.724,49 3.939,50 4.845,51 5.086,52 3.813,53 3.976,54 5.784,55 3.875,56 0.054,57 0.798,58 11.282,59 4.162,60 10.151,61 5.949,62 0.378,63 1.222,64 22.35,65 6.621,66 28.135,67 9.674,68 0.479,69 1.421,70 27.386,71 7.561,72 36.14,73 11.506,74 0.551,75 1.506,76 29.655,77 8.47,78 41.075,79 13.354,80 0.385,81 1.453,82 28.217,83 8.489,84 35.112,85 13.493,86 0.5,87 1.474,88 29.99,89 7.294,90 40.534,91 12.406,92 0.353,93 1.425,94 27.106,95 8.274,96 29.069,97 12.903,98 0.592,99 1.354,100 29.389,101 8.773,102 43.46,103 13.454,104 18,105 43,106 0.267,107 0.615,108 0.791,109 0.818,110 0.818,111 0.818,112 3.341,113 0.904,114 -4.51,115 -4.43,116 -4.17,119 37.3,120 2,124 2,125 2,127 2,142 4,143 1,144 2,145 1,147 1,150 1,161 1,166 1,172 2,174 4,175 8,178 1,180 3,183 3,186 2,187 3,192 1,195 1,198 3,199 4,202 5,204 1,207 3,211 3,212 5,220 1,223 1,224 10,232 1,236 1,237 7,240 1,242 2,245 2,249 5,250 6,263 2,271 4,275 1111,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 16.339,282 29.574,283 10.564,284 18.889,285 14.781,286 14.781,287 14.781,288 14.781,289 14.781,290 11.863,291 47.965,292 4.996,293 15.834,294 4.084,295 2.013,296 0.961,297 0.804,298 0.804,299 0.804,300 4.036,303 1,304 1,305 1,306 551,307 2.646,310 58.102,311 222.669,314 103.642,318 1.424,319 20.568,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 255,332 4.641,333 3.328,334 6.725,335 4.153,336 3.208,337 4.603,338 0.86,339 10.962,340 3.035,341 4.077,342 3.14,343 6.154,344 3.771,345 2.851,346 3.678,347 0.86,348 9.133,349 2.616,350 3.99,351 2.916,352 5.74,353 3.656,354 2.698,355 3.328,356 0.8,357 7.963,358 2.582,359 3.685,360 2.699,361 5.495,362 3.296,363 2.378,364 3.05,365 0.4,366 7.141,367 2.184,368 3.459,369 2.565,370 5.284,371 3.189,372 2.274,373 2.569,375 6.698,376 2.068,377 3.293,378 2.149,379 4.944,380 2.891,381 1.946,382 2.541,384 5.684,385 1.831,386 2.879,387 2.093,388 4.618,389 2.839,390 1.879,391 1.881,393 4.963,394 1.794,395 2.773,396 1.586,397 4.387,398 2.321,399 1.408,400 1.879,402 4.029,403 1.286,404 2.694,405 1.447,406 4.311,407 2.269,408 1.317,409 1.775,411 3.776,412 1.249,413 2.6,414 1.275,415 3.754,416 2.169,417 1.196,418 1.627,420 2.673,421 1.159,422 2.26,423 1.002,424 3.491,425 1.835,426 0.914,427 1.196,428 2.403,429 0.84,430 1.584,431 0.936,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.343,439 0.174,440 2.747,441 0.959,442 0.03,443 0.038,445 0.083,446 0.028,447 0.94,448 -0.068,449 2.681,450 0.602,451 -0.345,452 -0.347,454 -0.891,455 -0.313,456 0.755,457 -0.075,458 2.533,459 0.568,460 -0.347,461 -0.389,463 -0.933,464 -0.327,465 12.567,466 0.465,467 0.729,468 0.027,469 34.5,470 1.278,471 15.5,472 0.574,473 19,474 0.704,475 23.471,476 0.869,477 30.033,478 0.589,479 25.402,480 0.941,481 6.729,482 0.249,483 6.3,484 0.233,485 0.159,487 0.382,493 0.89,494 1.613,495 0.791,496 1.313,497 0.912,498 1.074,499 1.267,500 1.01,501 0.829,502 0.861,503 0.912,504 0.787,505 1.527,506 1.28,507 1.099,508 1.011,509 1.348,510 1,511 0.781,512 0.888,513 0.988,514 0.922,515 0.968,516 0.965,517 0.742,518 1.246,519 0.945,520 1.103,521 0.817,522 1.059,523 1.089,524 0.879,525 1.005,526 0.725,527 1.121,528 0.795,529 0.863,530 1.219,531 1.033,532 1.154,533 0.886,534 1.114,535 0.935,536 0.94,537 1.127,538 1.067,539 0.937,540 1.114,541 6.5,542 0.099,543 2.667,544 2.007,545 1.72,546 0.864,547 0.69,548 0.518,549 0.375,550 0.178,551 8253,552 20322,553 2.097,554 47.1,556 16,558 1,559 1,561 6,564 1.707,565 1.952,566 3.229,567 -0.272,568 1,569 1,573 81.034,574 1.589,575 3.659,576 4.711,577 4.868,578 4.868,579 4.868,580 2.685,581 4.208,582 4.726,583 3.379,584 1186.18,585 8.239,586 14921.7,588 1,590 1,591 289.294,592 1.447,593 4.681,594 0.217,595 0.008,596 0.062,597 0.047,598 0.043,599 0.022,600 0.017,601 0.013,602 0.011,603 0.009,604 0.449,605 0.17,606 1,607 0.76,608 131.735,609 0.016,610 -0.333,611 0.092,612 -0.191,613 -0.062,614 -0.06,615 -0.014,616 0.108,617 0.155,618 0.126,619 0.159,620 0.158,621 -0.213,622 -0.2,623 -0.108,624 -0.032,625 -0.168,626 -0.06,627 0.076,628 0.189,629 -0.023,630 0.021,631 -0.007,632 -0.014,633 0.058,634 -0.195,635 0.002,636 -0.107,637 0.078,638 -0.072,639 -0.173,640 0.189,641 -0.02,642 0.18,643 -0.144,644 0.133,645 -0.008,646 -0.132,647 -0.091,648 -0.15,649 -0.02,650 -0.131,651 0.079,652 0.076,653 -0.152,654 -0.088,655 0.054,656 -0.144,657 1.2,658 2.341,659 0.778,660 22.461,661 1.004,662 1.14,663 3.276,664 10.731,665 0.643,666 3.434,667 3.784,668 4.06,669 4.369,670 4.605,671 4.727,672 4.905,673 5.075,674 5.182,675 5.236,676 5.844,677 0.614,678 368.49,679 3.434,680 4.99,681 5.849,682 6.744,683 7.621,684 8.521,685 9.408,686 10.311,687 11.203,688 12.109,689 11.8,695 1,697 2,699 3,703 2,704 5,705 3,709 4,710 1,711 16,724 1,726 1,729 1,731 51,733 16,734 1,735 30,737 54,738 19,739 11,740 2,741 4,746 4,747 5,752 2,755 2,758 2,761 11,762 8,777 1,778 1,781 24,782 7,783 1,784 8,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 4,848 27,854 2,855 1,856 2,858 2,859 1,870 3.9,874 1,875 1,877 13.833,878 10.417,879 5.861,880 3.015,881 3.047,882 1.401,883 0.977,884 4.998,885 10.654,886 3.664,887 4.287,888 4.888,889 5.512,890 6.044,891 6.4,892 6.845,893 7.287,894 7.535,895 7.828,896 1,897 43,898 9.951,900 4.165,901 7.58,902 19.224,904 15.631,905 2.08,906 56.167,909 1,910 270.735,911 104.609,912 73.146,914 22,917 104.609,918 292.735,919 73.146,920 36.93,921 4.211,922 37.905,923 74.72,924 53.532,925 4.227,926 258.964,928 270.735,929 177.755,930 22,933 200.109,934 81.626,935 11,937 54.311,938 73.21,939 50.234,941 270.735,942 95.145,943 104.609,946 270.735,947 20.727,948 88.783,949 18.011,950 72.234,951 270.735,952 95.145,953 104.609,955 0.586,956 0.341,957 0.19,958 0.104,959 22,960 10,961 0.074,962 4,963 1,964 1.095,965 3.798,966 240.741,967 0.095,968 21,969 122.382,974 18.169,975 7.428,976 3.764,977 1.663,978 93.369,979 9.544,980 13.924,984 3.085,985 1.768,986 18.011,987 470.49,988 38,999 51.218,1000 58.145,1001 0.28,1002 0.645,1003 0.831,1004 0.858,1005 0.858,1006 0.858,1007 4.92,1008 1.408,1009 5.849,1010 4.963,1011 4.466,1012 4.973,1013 1.656,1014 6.673,1015 4.333,1016 6.129,1017 1.317,1018 7.414,1019 4.029,1020 4.111,1021 4.844,1022 0.325,1023 7.554,1024 3.915,1025 7.441,1026 1.196,1027 9.072,1028 3.776,1029 6.075,1030 7.2,1031 1.308,1032 10.663,1033 5.815,1034 8.787,1035 0.914,1036 10.783,1037 2.673,1038 6.494,1039 7.913,1040 0.268,1041 12.36,1042 6.168,1043 10.165,1044 0.43,1045 12.53,1046 2.403,1047 7.954,1048 9.771,1049 1.064,1050 14.992,1051 7.573,1052 11.567,1053 0.03,1054 14.302,1055 0.627,1056 8.742,1057 10.899,1058 0.188,1059 17.062,1060 8.298,1061 12.989,1062 -0.345,1063 16.093,1064 0.083,1065 9.998,1066 12.552,1067 0.862,1068 19.524,1069 9.502,1070 3.208,1071 -0.347,1072 17.901,1073 -0.891,1074 10.967,1075 13.887,1076 0.125,1077 21.765,1078 10.412,1079 2.851,1080 10.962,1081 19.721,1082 -0.933,1083 12.142,1084 15.456,1085 0.69,1086 24.169,1087 11.536,1088 2.698,1089 9.133,1090 21.552,1091 4.603,1092 13.2,1093 16.89,1094 0.082,1095 26.488,1096 12.537,1097 2.378,1098 7.963,1099 23.393,1100 3.678,1101 14.347,1102 18.428,1103 0.544,1104 28.875,1105 13.633,1106 2.274,1107 7.141,1108 25.242,1109 3.328,1110 15.449,1111 19.91,1112 0.054,1113 31.23,1114 14.679,1115 1.946,1116 6.698,1117 27.097,1118 3.05,1119 16.59,1120 21.436,1121 0.424,1122 33.614,1123 15.768,1124 1.879,1125 5.684,1126 28.959,1127 2.569,1128 17.714,1129 22.94,1130 0.035,1131 35.986,1132 16.838,1133 7919,1134 12578,1135 19.997,1136 32.796,1137 45.622,1138 45.599,1139 46.928,1140 45.018,1141 45.059,1142 57.294,1143 5.84,1144 132.27,1145 42.08,1146 5.641,1147 5.328,1148 6.318,1149 5.259,1150 5.208,1151 7.603,1152 1.72,1153 18.136,1154 5.035,1155 13.463,1156 1.521,1157 1.52,1158 1.564,1159 1.501,1160 1.502,1161 1.91,1162 0.195,1163 4.409,1164 1.403,1165 4.108,1166 4.163,1167 4.087,1168 3.934,1169 5.144,1170 3.964,1171 3.887,1172 3.916,1173 3.831,1174 3.792,1175 4.869,1176 3.798,1177 3.816,1178 3.868,1179 3.713,1180 3.618,1181 4.675,1182 3.632,1183 3.391,1184 3.475,1185 3.314,1186 3.217,1187 4.549,1188 3.19,1189 3.367,1190 3.452,1191 3.151,1192 3.111,1193 4.395,1194 3.148,1195 3.254,1196 3.321,1197 3.107,1198 2.977,1199 4.069,1200 2.994,1201 3.14,1202 3.228,1203 2.991,1204 2.915,1205 3.903,1206 2.92,1207 2.963,1208 3.059,1209 2.771,1210 2.776,1211 3.745,1212 2.764,1213 0.155,1214 0.111,1215 0.224,1216 0.138,1217 0.107,1218 4.641,1219 0.153,1220 3.328,1221 0.029,1222 6.725,1223 0.365,1224 4.153,1225 0.101,1226 3.208,1227 4.603,1228 0.86,1229 10.962,1230 3.035,1231 1.911,1232 1.879,1233 2.006,1234 2.079,1235 1.26,1236 2.053,1237 1.822,1238 1.781,1239 1.976,1240 1.983,1241 1.078,1242 1.982,1243 1.702,1244 1.659,1245 1.821,1246 1.894,1247 0.97,1248 1.878,1249 1.437,1250 1.345,1251 1.733,1252 1.734,1253 0.946,1254 1.712,1255 1.405,1256 1.325,1257 1.661,1258 1.606,1259 0.69,1260 1.655,1261 1.199,1262 1.127,1263 1.57,1264 1.514,1265 0.594,1266 1.531,1267 1.129,1268 1.043,1269 1.45,1270 1.396,1271 0.573,1272 1.417,1273 0.956,1274 0.886,1275 1.209,1276 1.199,1277 0.398,1278 1.202,1279 4.111,1281 5.451,1282 2.398,1283 6.98,1284 4.727,1285 8.599,1286 6.823,1287 10.266,1289 7.683,1295 1.512,1296 3.395,1297 11.156,1299 0.267,1300 2.169,1305 31.299,1306 81.034,1307 186.625,1308 240.274,1309 248.274,1310 248.274,1311 248.274,1312 35.45,1313 7.606,1314 77.33,1315 77.33,1316 23,1317 12.63,1318 4.087,1319 3.17,1320 39.915,1321 93,1322 102,1323 0.209,1324 191.718,1325 320.22,1326 459.551,1327 19828,1329 18.966,1330 0.702,1331 0.593,1332 18.966,1333 16.008,1334 13.029,1335 0.434,1336 0.301,1337 8.851,1338 12.289,1339 8.536,1340 7.117,1341 13.029,1342 9.045,1343 12.094,1344 0.281,1345 0.16,1346 12.094,1347 6.897,1348 10.009,1349 0.176,1350 0.081,1351 10.009,1352 4.615,1353 8.773,1354 0.112,1355 0.044,1356 8.773,1357 3.426,1358 6.975,1359 0.07,1360 0.022,1361 6.975,1362 2.139,1363 0.32,1364 83.02,1365 0.224,1366 25.444,1367 0.601,1368 146,1369 428.029,1370 165.742,1371 405.414,1372 569.24,1373 384,1374 173,1375 438.166,1376 193.884,1377 439.018,1378 643.76,1379 411,1380 6.432}
{0 CHEMBL1258516,1 1.633,2 13.639,3 2.368,4 5.608,5 132.873,6 7.635,7 0.439,8 4.293,9 4.416,10 3.893,11 3.759,12 5.354,13 3.772,14 4.874,15 5.049,16 4.262,17 4.17,18 5.933,19 4.157,20 5.127,21 5.35,22 4.284,23 4.314,24 6.076,25 4.262,26 5.125,27 5.376,28 4.213,29 4.23,30 6.114,31 4.171,32 5.017,33 5.254,34 4.24,35 4.167,36 6.142,37 4.148,38 4.918,39 5.103,40 4.254,41 4.227,42 5.954,43 4.204,44 5.052,45 5.246,46 4.263,47 4.381,48 6.015,49 4.316,50 5.249,51 5.47,52 4.205,53 4.496,54 6.126,55 4.355,56 0.082,57 1.04,58 12.949,59 5.146,60 8.369,61 6.992,62 0.632,63 1.664,64 26.855,65 8.974,66 43.2,67 12.181,68 0.685,69 1.98,70 37.18,71 11.16,72 47.497,73 16.504,74 0.625,75 1.923,76 38.436,77 10.704,78 56.358,79 16.625,80 0.863,81 1.768,82 34.343,83 8.383,84 81.606,85 13.14,86 0.44,87 1.769,88 27.62,89 8.762,90 34.653,91 12.528,92 0.63,93 1.965,94 31.897,95 11.031,96 41.127,97 15.626,98 0.454,99 2.15,100 40.447,101 17.397,102 55.718,103 24.103,104 2,105 57,106 0.259,107 0.579,108 0.738,109 0.806,110 0.823,111 0.823,112 3.616,113 0.897,114 -3.79,115 -3.76,116 -3.57,119 39.1,121 2,125 6,127 2,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 6,174 7,175 5,178 2,179 1,180 3,183 4,186 2,187 7,190 1,192 3,195 2,198 3,199 14,204 4,211 5,212 9,215 1,217 3,224 11,227 2,229 1,232 4,236 4,237 4,245 8,249 2,250 6,253 5,258 7,263 7,271 1,275 2670,276 25.101,277 25.101,278 25.101,279 25.101,280 25.101,281 22.888,282 35.795,283 15.047,284 25.918,285 20.34,286 20.34,287 20.34,288 20.34,289 20.34,290 16.968,291 56.906,292 7.245,293 21.673,294 4.367,295 2.353,296 1.348,297 0.918,298 0.812,299 0.812,300 4.338,305 1,306 1110,307 3.162,310 86.593,311 604.06,312 118.286,318 2.144,319 34.61,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 79,331 491,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.155,342 3.461,343 6.278,344 3.887,345 2.942,346 3.616,347 0.86,348 9.552,349 2.8,350 4.009,351 3.136,352 6.022,353 3.692,354 2.746,355 3.472,356 0.86,357 8.657,358 2.583,359 3.936,360 2.832,361 5.569,362 3.591,363 2.635,364 3.185,365 0.8,366 7.637,367 2.502,368 3.733,369 2.559,370 5.336,371 3.373,372 2.415,373 3.041,374 0.8,375 6.946,376 2.309,377 3.443,378 2.481,379 5.245,380 3.092,381 2.155,382 2.652,383 0.247,384 6.415,385 2.015,386 3.315,387 2.317,388 5.086,389 2.909,390 1.926,391 2.494,393 5.839,394 1.877,395 2.93,396 2.258,397 4.67,398 2.851,399 1.879,400 2.029,402 5.083,403 1.822,404 2.879,405 2.016,406 4.492,407 2.647,408 1.753,409 1.97,411 4.502,412 1.563,413 2.853,414 1.883,415 4.204,416 2.368,417 1.422,418 1.879,420 3.731,421 1.344,422 2.739,423 1.519,424 3.853,425 2.274,426 1.346,427 1.815,428 2.987,429 1.244,430 2.5,431 1.512,432 3.569,433 2.166,434 1.277,435 1.5,436 2.87,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.607,446 1,447 2.323,448 1.256,449 3.488,450 1.956,451 1,452 1.32,454 2.275,455 0.953,456 2.2,457 1,458 3.414,459 1.952,460 1,461 1.176,463 2.198,464 0.946,465 16.7,466 0.464,467 0.705,468 0.02,469 47.75,470 1.326,471 21.5,472 0.597,473 26.25,474 0.729,475 31.346,476 0.871,477 39.1,478 0.611,479 37.326,480 1.037,481 9.194,482 0.255,483 8.531,484 0.237,485 0.02,487 0.317,493 0.876,494 1.613,495 0.74,496 1.236,497 0.626,498 0.999,499 1.064,500 1.019,501 0.955,502 0.976,503 0.681,504 0.961,505 1.07,506 1.141,507 1.02,508 1.003,509 0.901,510 0.999,511 0.962,512 1.144,513 0.937,514 0.983,515 0.912,516 0.947,517 1.155,518 0.856,519 0.948,520 0.652,521 1.504,522 0.717,523 1.111,524 1.204,525 1.056,526 1.049,527 1.144,528 1.025,529 0.883,530 0.946,531 1.191,532 1.051,533 0.744,534 1.138,535 0.386,536 1.113,537 1.057,538 1.483,539 0.389,540 1.428,541 6,542 0.127,543 3.111,544 1.875,545 1.139,546 1.326,547 0.886,548 0.342,549 0.255,550 0.307,551 21906,552 56302,553 2.221,554 43.8,556 20,558 2,559 2,561 4,564 1.775,565 2.16,566 3.645,567 0.231,573 104.543,574 1.633,575 3.647,576 4.652,577 5.082,578 5.188,579 5.188,580 3.03,581 4.427,582 5.137,583 3.899,584 2456.44,585 9.038,586 39723.9,591 384,592 1.056,593 5.134,594 0.146,595 0.005,596 0.055,597 0.033,598 0.022,599 0.024,600 0.016,601 0.006,602 0.005,603 0.009,604 0.32,605 0.33,606 0.63,607 0.287,608 197.105,609 -0.066,610 -0.366,611 0.079,612 -0.154,613 -0.005,614 -0.031,615 0.047,616 0.117,617 -0.029,618 0.016,619 0.089,620 -0.03,621 -0.095,622 -0.104,623 -0.056,624 -0.027,625 -0.05,626 -0.034,627 -0.058,628 -0.143,629 0.054,630 -0.041,631 0.017,632 0.019,633 -0.045,634 0.211,635 0.055,636 0.24,637 -0.051,638 0.188,639 -0.192,640 -0.04,641 -0.154,642 -0.064,643 -0.141,644 -0.09,645 -0.094,646 0.199,647 -0.303,648 -0.033,649 -0.109,650 -0.169,651 0.192,652 -0.138,653 -0.157,654 -0.365,655 0.147,656 -0.341,657 2.004,658 5.329,659 0.889,660 44.185,661 1.01,662 1.137,663 2.564,664 6.575,665 0.657,666 3.738,667 4.06,668 4.357,669 4.663,670 4.913,671 5.017,672 5.209,673 5.389,674 5.549,675 5.707,676 8.098,677 0.634,678 488.61,679 3.738,680 5.283,681 6.142,682 7.024,683 7.898,684 8.787,685 9.67,686 10.565,687 11.453,688 12.352,689 12.5,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 64,733 19,734 1,735 41,737 69,738 25,739 14,740 2,741 4,746 6,747 7,751 1,755 4,758 4,761 15,762 10,766 1,771 1,775 1,781 28,782 11,783 2,784 11,790 8,794 0.833,795 3,805 1,808 1,811 1,812 5,813 1,839 2,840 5,848 36,854 8,855 2,856 2,858 2,859 2,870 4.7,873 1,874 2,877 16.667,878 11.283,879 7.806,880 3.915,881 3.145,882 1.369,883 1.002,884 6.75,885 11.671,886 3.951,887 4.483,888 5.002,889 5.566,890 6.102,891 6.336,892 6.785,893 7.187,894 7.514,895 7.889,896 0.889,897 57,898 13.342,900 5.772,901 7.648,902 25.779,904 21.688,905 2.148,906 77.333,910 306.049,911 121.703,912 109.412,914 47.145,917 121.703,918 353.193,919 109.412,921 63.672,922 56.857,923 137.829,924 35.37,925 8.074,926 282.506,928 306.049,929 231.116,930 47.145,933 261.292,934 72.229,935 22,937 85.565,938 76.081,939 67.142,941 306.049,942 156.557,943 121.703,946 306.049,947 46.751,948 81.201,949 36.022,950 114.287,951 306.049,952 156.557,953 121.703,955 0.577,956 0.336,957 0.191,958 0.104,959 29,960 11,961 0.072,962 5,963 2,964 1.094,965 4.786,966 358.066,967 0.125,968 31,969 172.117,974 23.255,975 10.45,976 5.207,978 156.557,979 14.298,980 18.61,984 4.12,986 36.022,987 584.309,988 51,993 12.329,997 -0.337,999 64.632,1000 72.767,1001 0.272,1002 0.608,1003 0.775,1004 0.847,1005 0.865,1006 0.865,1007 5.201,1008 1.879,1009 6.107,1010 5.839,1011 4.745,1012 5.17,1013 2.368,1014 6.907,1015 4.624,1016 6.359,1017 1.753,1018 7.647,1019 5.083,1020 4.205,1021 4.771,1022 1.404,1023 7.753,1024 4.039,1025 7.637,1026 1.422,1027 9.288,1028 4.502,1029 6.319,1030 7.219,1031 2.66,1032 10.884,1033 6.078,1034 8.945,1035 1.346,1036 10.99,1037 3.731,1038 6.635,1039 7.629,1040 2.382,1041 12.617,1042 6.337,1043 10.286,1044 1.277,1045 12.735,1046 2.987,1047 8.176,1048 9.555,1049 3.324,1050 15.245,1051 7.809,1052 11.65,1053 1.053,1054 14.51,1055 2.87,1056 8.908,1057 10.363,1058 3.421,1059 17.358,1060 8.474,1061 13.031,1062 1,1063 16.307,1064 2.607,1065 10.203,1066 12.044,1067 4.179,1068 19.822,1069 9.703,1070 3.22,1071 1,1072 18.121,1073 2.275,1074 11.144,1075 13.076,1076 4.467,1077 22.101,1078 10.57,1079 2.942,1080 11.296,1081 19.95,1082 2.198,1083 12.336,1084 14.625,1085 5.118,1086 24.516,1087 11.694,1088 2.746,1089 9.552,1090 21.79,1091 4.057,1092 13.378,1093 15.792,1094 5.504,1095 26.867,1096 12.66,1097 2.635,1098 8.657,1099 23.64,1100 3.616,1101 14.531,1102 17.268,1103 6.093,1104 29.272,1105 13.743,1106 2.415,1107 7.637,1108 25.498,1109 3.472,1110 15.624,1111 18.519,1112 6.531,1113 31.656,1114 14.758,1115 2.155,1116 6.946,1117 27.363,1118 3.185,1119 16.765,1120 19.953,1121 7.084,1122 34.062,1123 15.827,1124 1.926,1125 6.415,1126 29.234,1127 3.041,1128 17.884,1129 21.257,1130 7.551,1131 36.463,1132 16.868,1133 19872,1134 32028,1135 28.72,1136 42.023,1137 61.63,1138 62.68,1139 61.874,1140 61.301,1141 61.314,1142 75.367,1143 10.446,1144 174.169,1145 57.621,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 8.136,1156 1.503,1157 1.529,1158 1.509,1159 1.495,1160 1.495,1161 1.838,1162 0.255,1163 4.248,1164 1.405,1165 4.038,1166 4.089,1167 3.992,1168 3.901,1169 7.431,1170 3.913,1171 3.911,1172 3.954,1173 3.839,1174 3.776,1175 5.078,1176 3.783,1177 3.861,1178 3.906,1179 3.799,1180 3.74,1181 4.907,1182 3.75,1183 3.791,1184 3.846,1185 3.702,1186 3.579,1187 4.702,1188 3.603,1189 3.577,1190 3.633,1191 3.504,1192 3.347,1193 4.631,1194 3.382,1195 3.383,1196 3.429,1197 3.33,1198 3.096,1199 4.597,1200 3.15,1201 3.144,1202 3.206,1203 2.956,1204 2.951,1205 4.083,1206 2.926,1207 3.111,1208 3.206,1209 2.89,1210 2.941,1211 4.059,1212 2.91,1213 0.108,1214 0.087,1215 0.166,1216 0.101,1217 0.079,1218 4.431,1219 0.099,1220 3.562,1221 0.04,1222 6.817,1223 0.276,1224 4.146,1225 0.073,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.93,1232 1.9,1233 2.019,1234 2.075,1235 1.255,1236 2.052,1237 1.82,1238 1.779,1239 1.935,1240 1.99,1241 1.208,1242 1.974,1243 1.747,1244 1.692,1245 1.919,1246 1.94,1247 1.187,1248 1.939,1249 1.662,1250 1.608,1251 1.86,1252 1.903,1253 1.099,1254 1.89,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 0.944,1260 1.798,1261 1.44,1262 1.388,1263 1.534,1264 1.7,1265 0.825,1266 1.661,1267 1.231,1268 1.183,1269 1.513,1270 1.541,1271 0.514,1272 1.494,1273 1.153,1274 1.064,1275 1.365,1276 1.376,1277 0.496,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.259,1284 4.844,1285 8.866,1286 6.986,1287 10.52,1295 6.362,1296 5.601,1297 11.295,1299 0.586,1300 4.469,1305 40.584,1306 104.543,1307 233.432,1308 297.735,1309 325.245,1310 332,1311 332,1312 52.039,1313 8.526,1314 117.63,1315 117.63,1316 35,1317 12.878,1318 4.322,1319 3.459,1320 49.034,1321 170,1322 204,1323 0.134,1324 243.288,1325 422.17,1326 585.382,1327 66063,1329 24.321,1330 0.676,1331 0.551,1332 24.321,1333 19.838,1334 17.725,1335 0.432,1336 0.299,1337 12.02,1338 16.813,1339 11.877,1340 9.703,1341 17.725,1342 12.261,1343 15.853,1344 0.278,1345 0.159,1346 15.853,1347 9.086,1348 13.578,1349 0.176,1350 0.087,1351 13.578,1352 6.697,1353 11.981,1354 0.114,1355 0.047,1356 11.981,1357 4.891,1358 9.871,1359 0.073,1360 0.024,1361 9.871,1362 3.275,1363 0.214,1364 112.546,1365 0.187,1366 33.147,1367 0.363,1368 196,1369 585.743,1370 221.678,1371 553.751,1372 765.76,1373 524,1374 232,1375 568.318,1376 258.375,1377 568.564,1378 840.61,1379 536,1380 7.77}
{0 CHEMBL1258517,1 1.633,2 13.639,3 2.368,4 5.608,5 132.873,6 7.635,7 0.439,8 4.293,9 4.416,10 3.893,11 3.759,12 5.354,13 3.772,14 4.874,15 5.049,16 4.262,17 4.17,18 5.933,19 4.157,20 5.127,21 5.35,22 4.281,23 4.315,24 6.071,25 4.263,26 5.124,27 5.374,28 4.214,29 4.237,30 6.115,31 4.176,32 5.027,33 5.267,34 4.237,35 4.172,36 6.13,37 4.152,38 4.922,39 5.106,40 4.259,41 4.227,42 5.989,43 4.205,44 5.049,45 5.245,46 4.259,47 4.385,48 5.995,49 4.318,50 5.248,51 5.466,52 4.206,53 4.502,54 6.124,55 4.359,56 0.082,57 1.04,58 12.949,59 5.146,60 8.369,61 6.992,62 0.632,63 1.664,64 26.855,65 8.974,66 43.533,67 12.181,68 0.674,69 1.979,70 37.183,71 11.084,72 46.741,73 16.444,74 0.631,75 1.927,76 38.268,77 10.905,78 56.249,79 16.771,80 0.809,81 1.777,82 34.808,83 8.501,84 76.361,85 13.376,86 0.521,87 1.771,88 27.843,89 8.776,90 43.774,91 12.459,92 0.612,93 1.963,94 31.756,95 11.159,96 37.506,97 15.822,98 0.431,99 2.152,100 40.16,101 17.588,102 54.453,103 24.281,104 2,105 57,106 0.259,107 0.579,108 0.73,109 0.788,110 0.798,111 0.803,112 3.616,113 0.897,114 -3.79,115 -3.76,116 -3.57,119 39.1,121 2,125 6,127 2,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 5,174 7,175 6,178 2,179 1,180 4,183 5,186 2,187 6,192 2,195 2,198 3,199 15,202 1,204 5,211 4,212 8,217 2,223 1,224 11,227 3,229 1,232 6,236 4,237 2,245 8,249 2,250 6,253 5,258 6,263 8,275 2670,276 25.101,277 25.101,278 25.101,279 25.101,280 25.101,281 22.888,282 35.795,283 15.047,284 25.926,285 20.34,286 20.34,287 20.34,288 20.34,289 20.34,290 16.968,291 56.906,292 7.245,293 21.678,294 4.367,295 2.353,296 1.399,297 1.031,298 0.969,299 0.938,300 4.338,305 1,306 1110,307 3.162,310 86.593,311 604.06,312 118.286,318 2.144,319 34.593,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 79,331 491,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.155,342 3.461,343 6.278,344 3.887,345 2.942,346 3.616,347 0.86,348 9.552,349 2.8,350 4.009,351 3.136,352 6.022,353 3.692,354 2.746,355 3.472,356 0.86,357 8.657,358 2.585,359 3.936,360 2.832,361 5.569,362 3.592,363 2.635,364 3.185,365 0.8,366 7.637,367 2.505,368 3.733,369 2.559,370 5.336,371 3.374,372 2.415,373 3.041,374 0.8,375 6.946,376 2.313,377 3.443,378 2.481,379 5.245,380 3.092,381 2.155,382 2.652,383 0.247,384 6.415,385 2.015,386 3.315,387 2.317,388 5.086,389 2.909,390 1.926,391 2.494,393 5.839,394 1.877,395 2.93,396 2.258,397 4.67,398 2.851,399 1.879,400 2.029,402 5.083,403 1.822,404 2.879,405 2.016,406 4.492,407 2.647,408 1.753,409 1.97,411 4.502,412 1.563,413 2.853,414 1.883,415 4.204,416 2.347,417 1.422,418 1.879,420 3.731,421 1.311,422 2.739,423 1.519,424 3.853,425 2.268,426 1.346,427 1.815,428 2.987,429 1.238,430 2.5,431 1.512,432 3.569,433 2.166,434 1.277,435 1.5,436 2.87,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.607,446 1,447 2.323,448 1.256,449 3.488,450 1.984,451 1,452 1.32,454 2.275,455 0.983,456 2.2,457 1,458 3.414,459 1.952,460 1,461 1.176,463 2.198,464 0.946,465 16.7,466 0.464,467 0.705,468 0.02,469 47.75,470 1.326,471 21.5,472 0.597,473 26.25,474 0.729,475 31.359,476 0.871,477 39.1,478 0.611,479 37.313,480 1.036,481 9.195,482 0.255,483 8.53,484 0.237,485 0.02,487 0.317,493 0.876,494 1.613,495 0.74,496 1.236,497 0.626,498 0.999,499 1.064,500 1.019,501 0.955,502 0.976,503 0.678,504 0.961,505 1.092,506 1.152,507 1.024,508 0.996,509 0.911,510 0.992,511 0.933,512 1.123,513 0.943,514 0.999,515 0.896,516 0.966,517 1.185,518 0.899,519 0.937,520 0.666,521 1.528,522 0.713,523 1.118,524 1.143,525 1.078,526 1.024,527 1.245,528 1.025,529 0.824,530 0.924,531 1.17,532 1.045,533 0.617,534 1.131,535 0.363,536 1.136,537 1.058,538 1.515,539 0.376,540 1.453,541 6,542 0.127,543 3.111,544 1.875,545 1.139,546 1.326,547 0.886,548 0.342,549 0.255,550 0.307,551 21906,552 56522,553 2.221,554 43.8,556 20,558 2,559 2,561 4,564 1.775,565 2.16,566 3.645,567 0.231,573 104.543,574 1.633,575 3.647,576 4.601,577 4.969,578 5.031,579 5.063,580 3.03,581 4.427,582 5.137,583 3.899,584 2456.44,585 9.038,586 39723.9,591 384,592 1.056,593 5.134,594 0.146,595 0.005,596 0.055,597 0.033,598 0.022,599 0.024,600 0.016,601 0.006,602 0.005,603 0.009,604 0.32,605 0.33,606 0.63,607 0.287,608 197.105,609 -0.066,610 -0.366,611 0.079,612 -0.154,613 -0.005,614 -0.031,615 0.047,616 0.117,617 -0.029,618 0.016,619 0.092,620 -0.03,621 -0.117,622 -0.116,623 -0.06,624 -0.02,625 -0.061,626 -0.028,627 -0.038,628 -0.119,629 0.045,630 -0.051,631 0.023,632 0.002,633 -0.093,634 0.156,635 0.067,636 0.231,637 -0.093,638 0.2,639 -0.152,640 0.024,641 -0.171,642 -0.045,643 -0.12,644 -0.098,645 -0.075,646 0.22,647 -0.286,648 -0.021,649 -0.086,650 -0.154,651 0.202,652 -0.16,653 -0.164,654 -0.389,655 0.149,656 -0.362,657 1.992,658 5.337,659 0.889,660 44.185,661 1.01,662 1.137,663 2.564,664 6.575,665 0.657,666 3.738,667 4.06,668 4.357,669 4.663,670 4.913,671 5.017,672 5.209,673 5.389,674 5.549,675 5.707,676 8.098,677 0.634,678 488.61,679 3.738,680 5.283,681 6.142,682 7.024,683 7.898,684 8.787,685 9.67,686 10.565,687 11.453,688 12.352,689 12.5,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 64,733 19,734 1,735 41,737 69,738 25,739 14,740 2,741 4,746 6,747 7,751 1,755 4,758 4,761 15,762 10,766 1,771 1,775 1,781 28,782 11,783 2,784 11,790 8,794 0.833,795 3,805 1,808 1,811 1,812 5,813 1,839 2,840 5,848 36,854 8,855 2,856 2,858 2,859 2,870 4.7,873 1,874 2,877 16.667,878 11.283,879 7.806,880 3.915,881 3.145,882 1.369,883 1.002,884 6.75,885 11.671,886 3.951,887 4.483,888 5.002,889 5.566,890 6.102,891 6.336,892 6.785,893 7.187,894 7.514,895 7.889,896 0.889,897 57,898 13.341,900 5.77,901 7.648,902 25.779,904 21.688,905 2.148,906 77.333,910 306.049,911 121.703,912 109.412,914 47.145,917 121.703,918 353.193,919 109.412,921 63.672,922 56.857,923 137.829,924 35.37,925 8.074,926 282.506,928 306.049,929 231.116,930 47.145,933 261.292,934 72.229,935 22,937 85.565,938 76.081,939 67.142,941 306.049,942 156.557,943 121.703,946 306.049,947 46.751,948 81.201,949 36.022,950 114.287,951 306.049,952 156.557,953 121.703,955 0.577,956 0.336,957 0.191,958 0.104,959 29,960 11,961 0.072,962 5,963 2,964 1.094,965 4.786,966 358.066,967 0.125,968 31,969 168.117,974 23.255,975 10.45,976 5.207,978 156.557,979 14.231,980 18.563,984 4.178,986 36.022,987 584.309,988 51,993 12.337,997 -0.325,999 64.632,1000 72.767,1001 0.272,1002 0.608,1003 0.767,1004 0.828,1005 0.839,1006 0.844,1007 5.201,1008 1.879,1009 6.107,1010 5.839,1011 4.745,1012 5.17,1013 2.368,1014 6.907,1015 4.624,1016 6.359,1017 1.753,1018 7.647,1019 5.083,1020 4.205,1021 4.771,1022 1.404,1023 7.753,1024 4.039,1025 7.637,1026 1.422,1027 9.288,1028 4.502,1029 6.319,1030 7.219,1031 2.66,1032 10.884,1033 6.079,1034 8.945,1035 1.346,1036 10.99,1037 3.731,1038 6.635,1039 7.629,1040 2.382,1041 12.617,1042 6.339,1043 10.286,1044 1.277,1045 12.735,1046 2.987,1047 8.176,1048 9.555,1049 3.324,1050 15.245,1051 7.811,1052 11.65,1053 1.053,1054 14.51,1055 2.87,1056 8.908,1057 10.363,1058 3.421,1059 17.358,1060 8.477,1061 13.031,1062 1,1063 16.307,1064 2.607,1065 10.203,1066 12.044,1067 4.179,1068 19.822,1069 9.706,1070 3.22,1071 1,1072 18.121,1073 2.275,1074 11.144,1075 13.076,1076 4.467,1077 22.101,1078 10.572,1079 2.942,1080 11.296,1081 19.95,1082 2.198,1083 12.336,1084 14.625,1085 5.118,1086 24.516,1087 11.697,1088 2.746,1089 9.552,1090 21.79,1091 4.057,1092 13.378,1093 15.792,1094 5.504,1095 26.867,1096 12.663,1097 2.635,1098 8.657,1099 23.64,1100 3.616,1101 14.531,1102 17.268,1103 6.093,1104 29.272,1105 13.746,1106 2.415,1107 7.637,1108 25.498,1109 3.472,1110 15.624,1111 18.519,1112 6.531,1113 31.656,1114 14.761,1115 2.155,1116 6.946,1117 27.363,1118 3.185,1119 16.765,1120 19.953,1121 7.084,1122 34.062,1123 15.829,1124 1.926,1125 6.415,1126 29.234,1127 3.041,1128 17.884,1129 21.257,1130 7.551,1131 36.463,1132 16.87,1133 19872,1134 32088,1135 28.72,1136 42.023,1137 61.63,1138 62.68,1139 61.874,1140 61.307,1141 61.314,1142 75.367,1143 10.446,1144 174.169,1145 57.617,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 8.136,1156 1.503,1157 1.529,1158 1.509,1159 1.495,1160 1.495,1161 1.838,1162 0.255,1163 4.248,1164 1.405,1165 4.038,1166 4.089,1167 3.992,1168 3.901,1169 7.431,1170 3.913,1171 3.911,1172 3.954,1173 3.839,1174 3.776,1175 5.078,1176 3.783,1177 3.861,1178 3.907,1179 3.799,1180 3.741,1181 4.908,1182 3.751,1183 3.791,1184 3.846,1185 3.702,1186 3.579,1187 4.703,1188 3.603,1189 3.577,1190 3.633,1191 3.504,1192 3.347,1193 4.631,1194 3.381,1195 3.377,1196 3.425,1197 3.327,1198 3.078,1199 4.597,1200 3.137,1201 3.144,1202 3.206,1203 2.956,1204 2.951,1205 4.099,1206 2.926,1207 3.111,1208 3.206,1209 2.89,1210 2.941,1211 4.065,1212 2.91,1213 0.108,1214 0.087,1215 0.166,1216 0.101,1217 0.079,1218 4.431,1219 0.099,1220 3.562,1221 0.04,1222 6.817,1223 0.276,1224 4.146,1225 0.073,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.93,1232 1.9,1233 2.019,1234 2.075,1235 1.255,1236 2.052,1237 1.821,1238 1.78,1239 1.934,1240 1.991,1241 1.208,1242 1.975,1243 1.747,1244 1.692,1245 1.919,1246 1.94,1247 1.187,1248 1.939,1249 1.662,1250 1.608,1251 1.86,1252 1.903,1253 1.099,1254 1.89,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 0.948,1260 1.798,1261 1.439,1262 1.387,1263 1.533,1264 1.699,1265 0.825,1266 1.66,1267 1.215,1268 1.167,1269 1.513,1270 1.537,1271 0.513,1272 1.486,1273 1.153,1274 1.064,1275 1.34,1276 1.376,1277 0.496,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.259,1284 4.844,1285 8.866,1286 6.986,1287 10.52,1295 6.365,1296 5.631,1297 11.296,1299 0.587,1300 4.47,1305 40.584,1306 104.543,1307 233.432,1308 294.49,1309 318,1310 322,1311 324,1312 51.907,1313 8.526,1314 117.63,1315 117.63,1316 35,1317 12.878,1318 4.322,1319 3.459,1320 49.034,1321 170,1322 204,1323 0.134,1324 243.288,1325 422.17,1326 585.382,1327 66063,1329 24.321,1330 0.676,1331 0.551,1332 24.321,1333 19.838,1334 17.725,1335 0.432,1336 0.299,1337 12.02,1338 16.809,1339 11.878,1340 9.701,1341 17.725,1342 12.261,1343 15.853,1344 0.278,1345 0.159,1346 15.853,1347 9.081,1348 13.578,1349 0.176,1350 0.087,1351 13.578,1352 6.716,1353 11.981,1354 0.114,1355 0.047,1356 11.981,1357 4.89,1358 9.871,1359 0.073,1360 0.024,1361 9.871,1362 3.278,1363 0.214,1364 112.546,1365 0.187,1366 33.147,1367 0.363,1368 196,1369 585.743,1370 221.678,1371 553.62,1372 765.72,1373 524,1374 232,1375 568.318,1376 258.18,1377 568.268,1378 840.17,1379 536,1380 8.097}
{0 CHEMBL1258577,1 1.54,2 9.24,3 3.634,4 13.203,5 99.365,6 7.201,7 0.571,8 3.966,9 4.103,10 3.523,11 3.435,12 5.008,13 3.429,14 4.522,15 4.725,16 3.87,17 3.821,18 5.501,19 3.794,20 4.715,21 4.946,22 3.897,23 3.929,24 5.643,25 3.872,26 4.745,27 5.001,28 3.829,29 3.888,30 5.688,31 3.81,32 4.638,33 4.885,34 3.78,35 3.836,36 5.546,37 3.774,38 4.61,39 4.826,40 3.817,41 3.877,42 5.577,43 3.829,44 4.726,45 4.968,46 3.758,47 3.925,48 5.603,49 3.835,50 4.721,51 4.98,52 3.555,53 3.852,54 5.577,55 3.708,56 0.035,57 0.757,58 10.343,59 3.819,60 8.016,61 5.522,62 0.298,63 1.181,64 20.091,65 6.251,66 21.85,67 9.268,68 0.229,69 1.357,70 24.883,71 7.328,72 25.11,73 11.563,74 0.481,75 1.345,76 26.496,77 7.518,78 36.587,79 11.814,80 0.272,81 1.238,82 23.478,83 6.576,84 26.828,85 10.554,86 0.309,87 1.28,88 22.013,89 5.828,90 26.625,91 9.477,92 0.248,93 1.323,94 25.348,95 7.596,96 25.22,97 11.901,98 0.44,99 1.195,100 26.023,101 8.42,102 33.957,103 12.848,104 6,105 39,106 0.263,107 0.613,108 0.785,109 0.834,110 0.834,111 0.834,112 3.268,113 0.922,114 -5.02,115 -4.92,116 -4.61,119 38.3,121 3,124 2,125 2,142 4,143 1,144 2,145 1,147 1,150 1,161 1,166 1,172 4,174 4,175 8,178 1,180 3,183 4,186 1,187 2,192 1,195 1,198 3,199 8,202 5,204 1,207 2,211 1,212 3,220 1,223 1,224 12,229 2,232 3,237 7,242 1,245 1,249 4,250 5,258 4,271 4,275 925,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 15.444,282 26.641,283 10.262,284 17.852,285 13.797,286 13.797,287 13.797,288 13.797,289 13.797,290 10.88,291 42.177,292 4.837,293 14.617,294 4.014,295 1.965,296 0.958,297 0.67,298 0.67,299 0.67,300 3.968,303 1,304 1,305 1,306 505,307 2.449,310 52.281,311 202.967,314 94.137,318 1.309,319 15.716,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 231,332 4.64,333 3.291,334 6.725,335 4.15,336 3.204,337 4.603,338 0.86,339 10.956,340 3.034,341 4.077,342 2.98,343 6.096,344 3.663,345 2.734,346 3.678,347 0.8,348 8.881,349 2.585,350 3.938,351 2.907,352 5.739,353 3.647,354 2.697,355 3.316,356 0.4,357 7.962,358 2.51,359 3.665,360 2.57,361 5.494,362 3.259,363 2.328,364 3.038,366 7.125,367 2.162,368 3.297,369 2.16,370 4.944,371 2.904,372 1.96,373 2.555,375 5.686,376 1.842,377 3.02,378 1.867,379 4.541,380 2.777,381 1.815,382 2.106,384 4.672,385 1.744,386 2.746,387 1.451,388 4.345,389 2.288,390 1.339,391 1.842,393 3.776,394 1.268,395 2.676,396 1.335,397 3.821,398 2.219,399 1.259,400 1.754,402 2.982,403 1.205,404 2.477,405 1.262,406 3.499,407 2.149,408 1.18,409 1.471,411 2.635,412 1.139,413 2.154,414 1.077,415 3.457,416 1.984,417 1,418 1.101,420 2.27,421 0.983,422 2,423 0.97,424 3.247,425 1.821,426 0.891,427 1,428 2.136,429 0.827,430 1.584,431 0.935,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.343,439 0.174,440 2.689,441 0.959,442 0.03,443 0.038,445 0.083,446 0.028,447 0.94,448 -0.226,449 2.567,450 0.57,451 -0.364,452 -0.438,454 -0.92,455 -0.338,456 0.755,457 -0.39,458 2.523,459 0.297,460 -0.648,461 -0.816,463 -1.506,464 -0.607,465 11.733,466 0.469,467 0.516,468 0.021,469 33,470 1.32,471 15.5,472 0.62,473 17.5,474 0.7,475 19.804,476 0.792,477 27.267,478 0.58,479 22.736,480 0.909,481 6.296,482 0.252,483 5.945,484 0.238,485 0.085,487 0.324,493 0.878,494 1.559,495 0.795,496 1.245,497 0.778,498 1.042,499 1.122,500 1.021,501 0.869,502 0.893,503 0.791,504 0.856,505 1.073,506 1.285,507 0.933,508 1.053,509 0.919,510 0.981,511 0.89,512 0.887,513 0.986,514 0.919,515 1.137,516 0.952,517 1.122,518 1.086,519 0.927,520 0.872,521 1.171,522 0.862,523 1.328,524 1.125,525 1.202,526 0.966,527 1.204,528 1.024,529 1.11,530 1.11,531 1.12,532 1.083,533 1.05,534 1.086,535 0.779,536 0.935,537 1.125,538 1.117,539 1.013,540 1.165,541 4.5,542 0.033,543 2.444,544 1.507,545 1.178,546 0.864,547 0.568,548 0.313,549 0.214,550 0.138,551 6899,552 15840,553 2.154,554 46.8,555 2,556 14,558 1,559 1,561 4,564 1.686,565 2.055,566 3.198,567 -0.277,569 1,573 72.39,574 1.54,575 3.589,576 4.597,577 4.884,578 4.884,579 4.884,580 2.649,581 4.324,582 4.615,583 3.312,584 993.52,585 8.013,586 11819.3,588 1,590 1,591 261.066,592 1.26,593 4.592,594 0.161,595 0.004,596 0.063,597 0.039,598 0.034,599 0.025,600 0.016,601 0.009,602 0.009,603 0.009,604 0.367,605 0.17,606 1,607 0.663,608 118.762,609 0.045,610 -0.3,611 0.091,612 -0.154,613 0.069,614 -0.045,615 0.053,616 0.108,617 0.096,618 0.093,619 0.202,620 0.092,621 -0.07,622 -0.227,623 0.032,624 -0.076,625 0.075,626 -0.018,627 0.157,628 0.155,629 0.004,630 0.006,631 0.01,632 -0.018,633 -0.117,634 -0.041,635 0.051,636 0.081,637 -0.112,638 0.09,639 -0.258,640 0.045,641 -0.243,642 -0.03,643 -0.212,644 -0.109,645 -0.183,646 -0.062,647 -0.161,648 -0.107,649 -0.125,650 -0.12,651 0.153,652 0.021,653 -0.155,654 -0.12,655 -0.028,656 -0.171,657 0.902,658 1.806,659 0.84,660 19.92,661 1,662 1.139,663 3.792,664 14.377,665 0.651,666 3.367,667 3.689,668 3.989,669 4.277,670 4.522,671 4.625,672 4.812,673 4.956,674 5.024,675 5.063,676 5.57,677 0.618,678 338.46,679 3.367,680 4.905,681 5.765,682 6.648,683 7.527,684 8.418,685 9.306,686 10.203,687 11.096,688 11.996,689 12.8,695 1,697 2,699 3,703 2,704 5,705 3,709 4,710 1,711 16,724 1,726 1,729 1,731 47,733 16,734 1,735 28,737 50,738 18,739 11,740 2,741 4,746 4,747 5,755 3,758 3,761 11,762 7,777 1,778 1,781 22,782 6,783 1,784 7,790 6,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,840 3,844 2,848 25,854 5,855 1,856 1,859 1,870 2.1,875 1,877 12.167,878 9.083,879 5.528,880 2.904,881 3.067,882 1.413,883 1.001,884 4.555,885 10.485,886 3.611,887 4.23,888 4.857,889 5.483,890 6.02,891 6.373,892 6.811,893 7.237,894 7.457,895 7.745,896 1,897 39,898 9.214,900 3.853,901 7.52,902 17.993,904 14.733,905 2.02,906 50.5,909 1,910 247.193,911 94.562,912 73.146,914 11,917 94.562,918 258.193,919 73.146,920 19.279,921 11.815,922 37.905,923 63.72,924 53.532,925 4.227,926 235.422,928 247.193,929 167.708,930 11,933 200.109,934 58.084,937 44.264,938 73.21,939 50.234,941 247.193,942 84.146,943 94.562,946 247.193,947 28.33,948 71.133,949 18.011,950 61.234,951 247.193,952 84.146,953 94.562,955 0.576,956 0.343,957 0.189,958 0.105,959 20,960 8,961 0.08,962 4,963 1,964 1.095,965 3.709,966 215.117,967 0.095,968 21,969 112.096,974 16.308,975 6.984,976 3.323,977 1.743,978 82.369,979 9.619,980 13.892,984 3.263,985 1.793,986 18.011,987 425.901,988 36,999 47.007,1000 53.521,1001 0.277,1002 0.646,1003 0.828,1004 0.879,1005 0.879,1006 0.879,1007 4.844,1008 1.259,1009 5.74,1010 3.776,1011 4.369,1012 4.916,1013 1.324,1014 6.553,1015 4.256,1016 6.043,1017 1.18,1018 7.294,1019 2.982,1020 3.892,1021 4.745,1022 0.325,1023 7.434,1024 3.702,1025 7.352,1026 1,1027 8.948,1028 2.635,1029 5.958,1030 7.164,1031 0.958,1032 10.555,1033 5.728,1034 8.7,1035 0.891,1036 10.662,1037 2.27,1038 6.33,1039 7.875,1040 0.268,1041 12.288,1042 6.019,1043 10.085,1044 0.43,1045 12.416,1046 2.136,1047 7.837,1048 9.753,1049 0.736,1050 14.914,1051 7.491,1052 11.495,1053 0.03,1054 14.197,1055 0.627,1056 8.608,1057 10.884,1058 0.188,1059 17.007,1060 8.188,1061 12.925,1062 -0.364,1063 15.998,1064 0.083,1065 9.886,1066 12.544,1067 0.57,1068 19.467,1069 9.428,1070 3.204,1071 -0.648,1072 17.815,1073 -0.92,1074 10.851,1075 13.881,1076 0.125,1077 21.72,1078 10.325,1079 2.734,1080 10.956,1081 19.644,1082 -1.506,1083 12.037,1084 15.452,1085 0.439,1086 24.124,1087 11.469,1088 2.697,1089 8.881,1090 21.483,1091 4.603,1092 13.095,1093 16.888,1094 0.082,1095 26.45,1096 12.466,1097 2.328,1098 7.962,1099 23.331,1100 3.678,1101 14.249,1102 18.426,1103 0.334,1104 28.838,1105 13.573,1106 1.96,1107 7.125,1108 25.186,1109 3.316,1110 15.352,1111 19.908,1112 0.054,1113 31.197,1114 14.619,1115 1.815,1116 5.686,1117 27.046,1118 3.038,1119 16.497,1120 21.435,1121 0.252,1122 33.583,1123 15.715,1124 1.339,1125 4.672,1126 28.912,1127 2.555,1128 17.625,1129 22.94,1130 0.035,1131 35.958,1132 16.788,1133 6549,1134 10088,1135 19.186,1136 30.58,1137 41.804,1138 42.133,1139 42.878,1140 41.709,1141 41.736,1142 53.97,1143 4.12,1144 119.58,1145 39.387,1146 5.64,1147 5.291,1148 6.526,1149 5.228,1150 5.204,1151 7.603,1152 1.72,1153 18.13,1154 5.034,1155 9.064,1156 1.493,1157 1.505,1158 1.531,1159 1.49,1160 1.491,1161 1.928,1162 0.147,1163 4.271,1164 1.407,1165 4.107,1166 4.163,1167 4.086,1168 3.934,1169 5.143,1170 3.964,1171 3.887,1172 3.916,1173 3.831,1174 3.792,1175 4.868,1176 3.799,1177 3.811,1178 3.88,1179 3.682,1180 3.657,1181 4.599,1182 3.652,1183 3.386,1184 3.471,1185 3.303,1186 3.111,1187 4.407,1188 3.147,1189 3.251,1190 3.318,1191 3.099,1192 2.976,1193 4.218,1194 2.993,1195 3.117,1196 3.206,1197 2.979,1198 2.941,1199 4.036,1200 2.913,1201 3.111,1202 3.202,1203 2.866,1204 2.906,1205 3.743,1206 2.91,1207 2.963,1208 3.058,1209 2.77,1210 2.776,1211 3.609,1212 2.764,1213 0.166,1214 0.118,1215 0.24,1216 0.148,1217 0.114,1218 4.64,1219 0.164,1220 3.291,1221 0.031,1222 6.725,1223 0.391,1224 4.15,1225 0.108,1226 3.204,1227 4.603,1228 0.86,1229 10.956,1230 3.034,1231 1.913,1232 1.88,1233 2.051,1234 2.081,1235 1.396,1236 2.064,1237 1.84,1238 1.793,1239 1.994,1240 1.985,1241 1.08,1242 1.993,1243 1.727,1244 1.68,1245 1.825,1246 1.895,1247 0.951,1248 1.885,1249 1.437,1250 1.345,1251 1.661,1252 1.734,1253 0.825,1254 1.712,1255 1.198,1256 1.127,1257 1.569,1258 1.514,1259 0.692,1260 1.531,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.606,1266 1.429,1267 1.093,1268 1.013,1269 1.355,1270 1.34,1271 0.573,1272 1.352,1273 0.955,1274 0.885,1275 1.185,1276 1.198,1277 0.228,1278 1.199,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.727,1285 8.494,1286 6.823,1287 10.155,1289 3.572,1295 5.653,1296 3.403,1297 5.306,1300 2.257,1305 29.058,1306 72.39,1307 168.701,1308 216.046,1309 229.556,1310 229.556,1311 229.556,1312 28.729,1313 7.418,1314 68.1,1315 68.1,1316 23,1317 12.52,1318 4.087,1319 3.17,1320 35.669,1321 81,1322 90,1323 0.212,1324 178.129,1325 294.13,1326 426.395,1327 15756,1329 17.225,1330 0.689,1331 0.583,1332 17.225,1333 14.567,1334 12.242,1335 0.437,1336 0.307,1337 8.441,1338 11.635,1339 8.226,1340 6.858,1341 12.242,1342 8.602,1343 10.815,1344 0.277,1345 0.161,1346 10.815,1347 6.282,1348 9.443,1349 0.178,1350 0.086,1351 9.443,1352 4.552,1353 7.984,1354 0.112,1355 0.045,1356 7.984,1357 3.179,1358 6.576,1359 0.072,1360 0.024,1361 6.576,1362 2.194,1363 0.324,1364 77.478,1365 0.228,1366 23.878,1367 0.611,1368 134,1369 372.294,1370 149.534,1371 358.861,1372 508.06,1373 340,1374 159,1375 394.712,1376 176.118,1377 397.939,1378 583.62,1379 373,1380 6.445}
{0 CHEMBL1258578,1 1.594,2 9.926,3 3.637,4 13.226,5 101.609,6 7.857,7 0.733,8 3.954,9 4.068,10 3.578,11 3.463,12 5.119,13 3.472,14 4.443,15 4.609,16 3.915,17 3.807,18 5.559,19 3.812,20 4.552,21 4.718,22 3.962,23 3.904,24 5.671,25 3.89,26 4.637,27 4.838,28 3.905,29 3.908,30 5.712,31 3.862,32 4.638,33 4.859,34 3.869,35 3.907,36 5.642,37 3.852,38 4.602,39 4.8,40 3.901,41 3.92,42 5.665,43 3.88,44 4.673,45 4.897,46 3.868,47 3.916,48 5.687,49 3.86,50 4.596,51 4.798,52 3.746,53 3.829,54 5.645,55 3.756,56 0.063,57 0.71,58 8.548,59 3.831,60 7.211,61 4.753,62 0.309,63 1.088,64 16.759,65 5.961,66 22.266,67 7.485,68 0.242,69 1.238,70 17.978,71 6.465,72 22.144,73 8.374,74 0.391,75 1.32,76 20.799,77 7.236,78 30.656,79 9.802,80 0.36,81 1.265,82 22.077,83 7.61,84 28.794,85 10.671,86 0.282,87 1.29,88 19.672,89 6.694,90 24.522,91 9.23,92 0.377,93 1.304,94 22.763,95 7.529,96 29.348,97 10.552,98 0.41,99 1.149,100 20.67,101 7.584,102 30.67,103 10.185,104 14,105 42,106 0.27,107 0.607,108 0.735,109 0.824,110 0.846,111 0.861,112 3.341,113 0.843,114 -4.85,115 -4.76,116 -4.47,119 43.5,124 3,142 8,143 2,144 3,145 1,147 1,149 1,161 1,166 1,172 6,174 2,175 10,178 1,180 3,183 7,186 1,187 7,192 1,195 3,198 2,199 7,202 4,204 2,207 3,211 2,212 6,217 2,220 3,223 1,224 11,229 1,232 4,236 1,237 6,240 1,242 1,245 6,249 4,250 5,258 5,263 4,271 5,275 1128,276 18.635,277 18.635,278 18.635,279 18.635,280 18.635,281 16.076,282 21.276,283 10.887,284 19.235,285 14.708,286 14.708,287 14.708,288 14.708,289 14.708,290 10.744,291 31.007,292 5.039,293 15.523,294 3.93,295 1.936,296 1.18,297 0.658,298 0.527,299 0.441,300 4.039,303 1,304 1,305 1,306 580,307 2.739,310 58.258,311 223.385,314 103.97,318 1.416,319 18.457,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 58.5,331 268,332 4.648,333 3.253,334 6.725,335 4.158,336 3.206,337 4.612,338 0.86,339 10.959,340 3.052,341 4.184,342 2.936,343 6.129,344 3.775,345 2.802,346 3.815,347 0.86,348 9.03,349 2.727,350 4.077,351 2.906,352 5.739,353 3.656,354 2.698,355 3.678,356 0.4,357 7.962,358 2.583,359 3.729,360 2.589,361 5.495,362 3.293,363 2.363,364 3.181,366 7.136,367 2.193,368 3.608,369 2.532,370 5.281,371 3.205,372 2.27,373 2.988,375 6.69,376 2.116,377 3.296,378 2.143,379 4.944,380 2.893,381 1.948,382 2.556,384 5.684,385 1.833,386 2.972,387 1.621,388 4.418,389 2.465,390 1.519,391 2.178,393 4.186,394 1.431,395 2.747,396 1.448,397 4.33,398 2.282,399 1.329,400 1.85,402 3.776,403 1.264,404 2.683,405 1.286,406 3.767,407 2.193,408 1.217,409 1.767,411 2.74,412 1.184,413 2.619,414 1.197,415 3.494,416 2.133,417 1.152,418 1.673,420 2.604,421 1.127,422 2.345,423 0.944,424 3.474,425 1.839,426 0.896,427 1.28,428 2.313,429 0.843,430 1.584,431 0.936,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.583,439 0.915,440 2.732,441 1.293,442 0.427,443 0.48,445 0.621,446 0.366,447 1.345,448 0.174,449 2.686,450 0.959,451 0.03,452 0.038,454 0.083,455 0.028,456 0.995,457 -0.268,458 2.609,459 0.584,460 -0.363,461 -0.471,463 -0.936,464 -0.342,465 12.667,466 0.469,467 0.585,468 0.022,469 39.75,470 1.472,471 21.5,472 0.796,473 18.25,474 0.676,475 18.26,476 0.676,477 28.133,478 0.612,479 29.757,480 1.102,481 8.172,482 0.303,483 5.001,484 0.185,485 0.118,487 0.347,493 0.872,494 1.33,495 0.721,496 1.119,497 0.874,498 0.932,499 1.31,500 0.965,501 0.801,502 0.759,503 1.017,504 0.711,505 1.192,506 1.316,507 0.977,508 1.063,509 1.077,510 0.993,511 0.877,512 1.049,513 1.039,514 1.055,515 1.078,516 1.065,517 0.817,518 1.036,519 0.856,520 0.878,521 0.814,522 0.869,523 0.932,524 1.16,525 1.025,526 1.009,527 0.925,528 1.004,529 0.904,530 0.969,531 0.97,532 0.921,533 1.019,534 0.931,535 0.908,536 1.036,537 1.095,538 1.163,539 0.956,540 1.165,541 5.5,542 0.066,543 2.667,544 1.694,545 1.489,546 0.927,547 0.629,548 0.431,549 0.339,550 0.183,551 8357,552 22661,553 2.12,554 41.3,556 17,558 1,559 1,564 1.707,565 2,566 3.292,567 -0.309,569 1,573 73.325,574 1.594,575 3.588,576 4.344,577 4.866,578 4.996,579 5.083,580 2.713,581 4.31,582 4.725,583 3.413,584 1198.03,585 8.236,586 15097.2,588 1,590 1,591 254.084,592 1.352,593 4.694,594 0.183,595 0.005,596 0.063,597 0.039,598 0.038,599 0.024,600 0.016,601 0.011,602 0.011,603 0.008,604 0.399,605 0.17,606 1,607 0.806,608 132.036,609 0.007,610 -0.186,611 0.075,612 -0.124,613 -0.081,614 -0.033,615 -0.1,616 0.112,617 0.122,618 0.197,619 0.021,620 0.19,621 -0.161,622 -0.216,623 -0.086,624 -0.115,625 -0.085,626 -0.096,627 0.056,628 0.033,629 -0.11,630 -0.122,631 -0.084,632 -0.147,633 0.038,634 -0.027,635 0.104,636 0.096,637 0.103,638 0.107,639 -0.105,640 -0.059,641 -0.119,642 -0.073,643 -0.066,644 -0.085,645 -0.009,646 0.064,647 -0.007,648 0.028,649 -0.058,650 0.024,651 0.133,652 -0.053,653 -0.137,654 -0.178,655 0.042,656 -0.2,657 1.074,658 1.821,659 0.778,660 23.16,661 1.008,662 1.126,663 3.618,664 13.093,665 0.68,666 3.434,667 3.761,668 4.06,669 4.344,670 4.595,671 4.71,672 4.898,673 5.056,674 5.159,675 5.226,676 5.927,677 0.657,678 361.44,679 3.434,680 4.977,681 5.838,682 6.723,683 7.602,684 8.495,685 9.383,686 10.281,687 11.174,688 12.075,689 10.9,697 2,699 3,703 2,704 9,705 3,709 6,710 1,711 22,724 1,729 2,731 46,733 22,734 2,735 30,737 49,738 20,739 17,740 4,741 8,746 4,747 5,761 17,762 3,777 1,778 1,781 19,782 6,783 1,784 7,790 5,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,840 3,844 3,848 27,855 1,856 2,870 4.3,875 2,877 13.5,878 9.383,879 6.028,880 2.48,881 3.989,882 1.524,883 1.001,884 4.755,885 11.594,886 3.738,887 4.398,888 5.049,889 5.688,890 6.26,891 6.625,892 7.132,893 7.623,894 8.001,895 8.39,896 0.857,897 43,898 9.883,900 4.101,901 7.642,902 18.823,904 14.946,905 2.142,906 57.833,909 1,910 211.88,911 140.393,912 70.021,914 22,917 140.393,918 233.88,919 70.021,920 30.162,922 75.81,923 63.72,924 72.165,925 2.328,926 200.109,928 211.88,929 210.415,930 22,933 214.208,934 22,937 30.55,938 127.303,939 50.234,941 211.88,942 92.021,943 140.393,946 211.88,947 25.373,948 116.796,949 18.011,950 72.234,951 211.88,952 92.021,953 140.393,955 0.576,956 0.347,957 0.189,958 0.105,959 21,960 9,961 0.102,962 5,963 1,964 1.095,965 3.836,966 238.837,967 0.095,968 21,969 128.382,974 17.465,975 7.35,976 3.497,977 1.584,978 90.245,979 17.114,980 13.749,984 4.531,985 1.734,986 18.011,987 444.294,988 41,999 46.349,1000 51.817,1001 0.289,1002 0.649,1003 0.786,1004 0.881,1005 0.905,1006 0.92,1007 4.959,1008 1.329,1009 5.82,1010 4.186,1011 4.443,1012 5.085,1013 1.454,1014 6.637,1015 4.343,1016 6.185,1017 1.217,1018 7.38,1019 3.776,1020 4.007,1021 4.913,1023 7.526,1024 3.859,1025 7.503,1026 1.152,1027 9.036,1028 2.74,1029 6.043,1030 7.368,1031 1.175,1032 10.63,1033 5.854,1034 8.86,1035 0.896,1036 10.748,1037 2.604,1038 6.431,1039 8.04,1041 12.347,1042 6.189,1043 10.248,1044 0.43,1045 12.498,1046 2.313,1047 7.919,1048 9.947,1049 0.966,1050 14.968,1051 7.646,1052 11.659,1053 0.427,1054 14.273,1055 0.627,1056 8.694,1057 11.035,1059 17.048,1060 8.366,1061 13.088,1062 0.03,1063 16.068,1064 0.621,1065 9.96,1066 12.709,1067 0.788,1068 19.504,1069 9.601,1070 3.206,1071 -0.363,1072 17.878,1073 0.083,1074 10.923,1075 14.011,1077 21.75,1078 10.51,1079 2.802,1080 10.959,1081 19.701,1082 -0.936,1083 12.103,1084 15.587,1085 0.634,1086 24.152,1087 11.654,1088 2.698,1089 9.03,1090 21.534,1091 4.612,1092 13.158,1093 16.998,1095 26.473,1096 12.655,1097 2.363,1098 7.962,1099 23.377,1100 3.815,1101 14.307,1102 18.534,1103 0.504,1104 28.859,1105 13.763,1106 2.27,1107 7.136,1108 25.226,1109 3.678,1110 15.407,1111 20.001,1113 31.216,1114 14.811,1115 1.948,1116 6.69,1117 27.083,1118 3.181,1119 16.549,1120 21.524,1121 0.395,1122 33.6,1123 15.908,1124 1.519,1125 5.684,1126 28.945,1127 2.988,1128 17.673,1129 23.018,1131 35.974,1132 16.98,1133 8013,1134 13339,1135 20.285,1136 31.267,1137 44.612,1138 45.431,1139 46.313,1140 44.463,1141 44.576,1142 61.157,1143 4.24,1144 128.827,1145 42.236,1146 5.426,1147 5.253,1148 6.318,1149 5.237,1150 5.206,1151 7.612,1152 1.72,1153 18.134,1154 5.052,1155 11.824,1156 1.487,1157 1.514,1158 1.544,1159 1.482,1160 1.486,1161 2.039,1162 0.141,1163 4.294,1164 1.408,1165 4.117,1166 4.166,1167 4.097,1168 3.967,1169 5.153,1170 3.991,1171 3.891,1172 3.917,1173 3.835,1174 3.813,1175 4.869,1176 3.814,1177 3.869,1178 3.898,1179 3.815,1180 3.763,1181 4.853,1182 3.773,1183 3.385,1184 3.462,1185 3.312,1186 3.121,1187 4.574,1188 3.156,1189 3.265,1190 3.326,1191 3.119,1192 2.996,1193 4.41,1194 3.014,1195 3.223,1196 3.296,1197 3.039,1198 2.956,1199 4.303,1200 2.962,1201 3.053,1202 3.121,1203 2.934,1204 2.887,1205 4.049,1206 2.886,1207 2.963,1208 3.058,1209 2.769,1210 2.776,1211 3.743,1212 2.764,1213 0.155,1214 0.108,1215 0.224,1216 0.139,1217 0.107,1218 4.648,1219 0.154,1220 3.253,1221 0.029,1222 6.725,1223 0.365,1224 4.158,1225 0.102,1226 3.206,1227 4.612,1228 0.86,1229 10.959,1230 3.052,1231 1.948,1232 1.921,1233 2.024,1234 2.078,1235 1.115,1236 2.058,1237 1.875,1238 1.852,1239 1.982,1240 1.978,1241 1.064,1242 1.98,1243 1.725,1244 1.695,1245 1.806,1246 1.878,1247 0.925,1248 1.861,1249 1.437,1250 1.345,1251 1.659,1252 1.732,1253 0.687,1254 1.709,1255 1.203,1256 1.136,1257 1.571,1258 1.517,1259 0.575,1260 1.533,1261 1.197,1262 1.126,1263 1.568,1264 1.505,1265 0.573,1266 1.526,1267 1.031,1268 0.973,1269 1.226,1270 1.229,1271 0.273,1272 1.239,1273 0.953,1274 0.885,1275 1.182,1276 1.193,1277 0.228,1278 1.193,1279 4.111,1281 5.434,1282 2.398,1283 6.957,1284 4.727,1285 8.571,1286 6.823,1287 10.234,1289 5.143,1296 3.358,1297 10.621,1305 30.224,1306 73.325,1307 165.025,1308 199.819,1309 223.819,1310 229.819,1311 233.819,1312 31.872,1313 7.606,1314 74.09,1315 74.09,1316 23,1317 12.598,1318 4.524,1319 3.585,1320 39.929,1321 94,1322 102,1323 0.207,1324 185.734,1325 307.7,1326 444.95,1327 19990,1329 18.803,1330 0.696,1331 0.567,1332 18.803,1333 15.302,1334 13.173,1335 0.439,1336 0.281,1337 8.255,1338 12.507,1339 7.981,1340 6.697,1341 13.173,1342 8.43,1343 11.617,1344 0.277,1345 0.143,1346 11.617,1347 5.99,1348 10.194,1349 0.179,1350 0.075,1351 10.194,1352 4.253,1353 8.51,1354 0.112,1355 0.037,1356 8.51,1357 2.846,1358 7.039,1359 0.072,1360 0.019,1361 7.039,1362 1.899,1363 0.316,1364 83.609,1365 0.222,1366 25.517,1367 0.591,1368 144,1369 440.384,1370 159.887,1371 422.959,1372 593.1,1373 400,1374 171,1375 452.44,1376 187.945,1377 459.816,1378 669.1,1379 429,1380 6.873}
{0 CHEMBL1258634,1 1.731,2 13.73,3 3.242,4 10.509,5 138.739,6 8.173,7 0.429,8 4.297,9 4.416,10 3.949,11 3.779,12 5.369,13 3.791,14 4.879,15 5.048,16 4.346,17 4.191,18 5.97,19 4.179,20 5.133,21 5.349,22 4.361,23 4.342,24 6.1,25 4.289,26 5.13,27 5.373,28 4.305,29 4.262,30 6.15,31 4.201,32 5.033,33 5.266,34 4.284,35 4.195,36 6.148,37 4.172,38 4.928,39 5.105,40 4.355,41 4.24,42 6.058,43 4.223,44 5.053,45 5.244,46 4.302,47 4.4,48 6.012,49 4.332,50 5.251,51 5.465,52 4.288,53 4.521,54 6.147,55 4.38,56 0.119,57 1.03,58 11.743,59 5.183,60 8.496,61 6.694,62 0.699,63 1.649,64 26.117,65 9.073,66 46.481,67 11.811,68 0.772,69 1.965,70 37.858,71 11.601,72 50.781,73 16.213,74 0.754,75 1.915,76 39.841,77 11.448,78 61.216,79 16.698,80 0.9,81 1.768,82 36.444,83 9.036,84 78.535,85 13.184,86 0.654,87 1.76,88 27.431,89 8.86,90 54.891,91 11.983,92 0.673,93 1.952,94 30.858,95 11.23,96 39.248,97 15.318,98 0.509,99 2.141,100 39.442,101 17.776,102 56.885,103 24.146,104 5,105 59,106 0.275,107 0.594,108 0.745,109 0.808,110 0.818,111 0.823,112 3.642,113 0.911,114 -4,115 -3.95,116 -3.74,119 39.1,121 2,125 6,127 2,142 6,143 1,144 2,145 1,147 1,149 1,150 2,159 1,172 5,174 7,175 7,178 2,179 1,180 4,183 6,186 2,187 6,192 2,195 2,198 3,199 15,202 1,204 6,207 1,211 4,212 8,217 2,223 1,224 12,227 3,229 2,232 6,236 4,237 2,245 8,249 2,250 6,253 5,258 8,263 8,271 2,275 2853,276 25.549,277 25.549,278 25.549,279 25.549,280 25.549,281 23.31,282 37.396,283 15.167,284 26.519,285 20.823,286 20.823,287 20.823,288 20.823,289 20.823,290 17.379,291 58.813,292 7.295,293 22.456,294 4.269,295 2.253,296 1.305,297 0.906,298 0.844,299 0.812,300 4.362,302 1,306 1143,307 3.24,310 89.955,311 625.066,312 122.859,318 2.159,319 38.01,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 81.333,331 508,332 4.431,333 3.563,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.156,342 3.461,343 6.278,344 3.887,345 2.942,346 3.667,347 0.86,348 9.552,349 2.8,350 4.075,351 3.136,352 6.022,353 3.702,354 2.757,355 3.606,356 0.86,357 8.657,358 2.592,359 3.975,360 2.965,361 5.621,362 3.628,363 2.687,364 3.189,365 0.8,366 7.798,367 2.516,368 3.769,369 2.831,370 5.407,371 3.421,372 2.479,373 3.054,374 0.8,375 7.158,376 2.329,377 3.506,378 2.507,379 5.254,380 3.12,381 2.192,382 2.752,383 0.247,384 6.43,385 2.027,386 3.349,387 2.34,388 5.086,389 2.987,390 2.064,391 2.524,393 5.839,394 1.9,395 3.154,396 2.287,397 4.9,398 2.851,399 1.879,400 2.347,402 5.713,403 1.822,404 2.926,405 2.258,406 4.553,407 2.675,408 1.766,409 2.003,411 4.725,412 1.566,413 2.879,414 2.016,415 4.466,416 2.638,417 1.726,418 1.879,420 4.465,421 1.507,422 2.744,423 1.883,424 4.2,425 2.287,426 1.37,427 1.823,428 3.715,429 1.253,430 2.657,431 1.513,432 3.853,433 2.167,434 1.281,435 1.726,436 2.871,437 1.12,438 2.5,439 1.279,440 3.532,441 2.129,442 1.179,443 1.5,445 2.61,446 1.103,447 2.323,448 1.276,449 3.488,450 2,451 1.053,452 1.32,454 2.585,455 1,456 2.2,457 1.256,458 3.479,459 1.952,460 1,461 1.176,463 2.275,464 0.946,465 17.414,466 0.471,467 0.811,468 0.022,469 48.5,470 1.311,471 21.5,472 0.581,473 27,474 0.73,475 33.562,476 0.907,477 40.186,478 0.628,479 38.374,480 1.037,481 9.273,482 0.251,483 8.846,484 0.239,485 0.06,487 0.333,493 0.845,494 1.611,495 0.628,496 1.152,497 0.614,498 0.958,499 0.983,500 1.023,501 0.787,502 0.93,503 0.62,504 0.93,505 1.065,506 1.15,507 0.911,508 0.953,509 0.89,510 0.974,511 0.89,512 1.129,513 0.839,514 0.978,515 0.857,516 0.959,517 1.17,518 0.901,519 0.917,520 0.681,521 1.496,522 0.731,523 0.955,524 1.154,525 0.855,526 1.018,527 1.031,528 1.011,529 0.805,530 0.925,531 1.002,532 1.013,533 0.615,534 1.126,535 0.364,536 1.135,537 0.851,538 1.426,539 0.359,540 1.418,541 7,542 0.14,543 3.333,544 2.188,545 1.25,546 1.437,547 0.886,548 0.405,549 0.304,550 0.317,551 23573,552 67135,553 2.197,554 42.2,556 20,558 1,559 2,561 4,564 1.781,565 2.114,566 3.668,567 0.243,573 110.767,574 1.731,575 3.747,576 4.695,577 5.094,578 5.156,579 5.188,580 3.04,581 4.723,582 5.178,583 3.935,584 2621.04,585 9.115,586 43526.1,591 384,592 1.181,593 5.165,594 0.167,595 0.005,596 0.056,597 0.037,598 0.023,599 0.026,600 0.015,601 0.007,602 0.006,603 0.009,604 0.35,605 0.33,606 0.63,607 0.368,608 204.665,609 -0.077,610 -0.365,611 0.048,612 -0.142,613 -0.018,614 -0.031,615 0.061,616 0.115,617 0.005,618 0.02,619 0.121,620 -0.021,621 -0.128,622 -0.112,623 -0.048,625 -0.063,626 -0.017,627 -0.021,628 -0.121,629 0.054,630 -0.044,631 0.034,632 0.009,633 -0.128,634 0.159,635 -0.008,636 0.208,637 -0.142,638 0.178,639 -0.042,640 0.015,641 -0.083,642 -0.083,643 0.03,644 -0.107,645 -0.087,646 0.22,647 -0.255,648 -0.038,649 -0.093,650 -0.172,651 0.202,652 -0.159,653 -0.083,654 -0.35,655 0.163,656 -0.338,657 2.046,658 5.405,659 0.865,660 45.997,661 1.015,662 1.136,663 2.769,664 7.665,665 0.67,666 3.761,667 4.094,668 4.382,669 4.691,670 4.934,671 5.05,672 5.22,673 5.407,674 5.561,675 5.72,676 8.334,677 0.647,678 523.05,679 3.761,680 5.313,681 6.172,682 7.057,683 7.93,684 8.822,685 9.703,686 10.599,687 11.486,688 12.385,689 12.5,695 2,696 2,699 4,702 1,704 7,705 4,709 7,711 18,726 2,730 1,731 64,733 19,734 1,735 42,737 69,738 25,739 14,740 2,741 4,746 6,747 7,748 1,751 1,755 4,758 4,761 15,762 10,766 1,771 1,775 1,781 27,782 11,783 2,784 12,785 1,790 8,794 0.833,795 3,805 1,808 1,811 1,812 5,813 1,839 2,840 5,845 1,848 37,854 8,855 2,856 2,858 2,859 2,869 1,870 4.7,873 1,874 2,877 17.5,878 11.343,879 7.972,880 3.907,881 3.199,882 1.372,883 1,884 7.178,885 11.8,886 3.97,887 4.516,888 5.032,889 5.6,890 6.13,891 6.383,892 6.793,893 7.204,894 7.522,895 7.9,896 0.889,897 59,898 13.702,900 5.943,901 7.692,902 26.339,904 22.156,905 2.192,906 81.111,910 294.278,911 115.728,912 109.412,913 39.149,914 47.145,917 115.728,918 380.571,919 109.412,921 63.672,922 56.857,923 126.058,924 26.323,925 50.294,926 282.506,928 294.278,929 225.14,930 47.145,931 39.149,933 249.521,934 72.229,935 22,937 76.517,938 79.153,939 67.142,940 39.149,941 294.278,942 156.557,943 154.876,946 294.278,947 49.823,948 72.154,949 36.022,950 153.435,951 294.278,952 156.557,953 154.876,955 0.581,956 0.336,957 0.19,958 0.103,959 30,960 12,961 0.072,962 5,963 2,964 1.094,965 4.836,966 371.084,967 0.125,968 31,969 178.75,974 24.466,975 10.855,976 5.539,978 156.557,979 12.22,980 18.511,984 4.285,986 36.022,987 605.711,988 52,993 12.405,997 -0.38,999 64.956,1000 72.711,1001 0.288,1002 0.624,1003 0.783,1004 0.849,1005 0.859,1006 0.865,1007 5.228,1008 1.879,1009 6.146,1010 5.839,1011 4.779,1012 5.204,1013 2.368,1014 6.95,1015 4.639,1016 6.397,1017 1.766,1018 7.691,1019 5.713,1020 4.29,1021 4.879,1022 1.404,1023 7.799,1024 4.077,1025 7.682,1026 1.726,1027 9.334,1028 4.725,1029 6.361,1030 7.271,1031 2.66,1032 10.92,1033 6.094,1034 8.996,1035 1.37,1036 11.035,1037 4.465,1038 6.698,1039 7.73,1040 2.382,1041 12.641,1042 6.361,1043 10.341,1044 1.281,1045 12.777,1046 3.715,1047 8.218,1048 9.619,1049 3.324,1050 15.268,1051 7.825,1052 11.708,1053 1.179,1054 14.548,1055 2.871,1056 8.958,1057 10.462,1058 3.421,1059 17.372,1060 8.493,1061 13.091,1062 1.053,1063 16.341,1064 2.61,1065 10.243,1066 12.118,1067 4.179,1068 19.835,1069 9.718,1070 3.22,1071 1,1072 18.151,1073 2.585,1074 11.184,1075 13.175,1076 4.467,1077 22.109,1078 10.585,1079 2.942,1080 11.296,1081 19.976,1082 2.275,1083 12.37,1084 14.707,1085 5.118,1086 24.523,1087 11.708,1088 2.757,1089 9.552,1090 21.812,1091 4.057,1092 13.411,1093 15.889,1094 5.504,1095 26.872,1096 12.674,1097 2.687,1098 8.657,1099 23.659,1100 3.667,1101 14.56,1102 17.354,1103 6.093,1104 29.275,1105 13.755,1106 2.479,1107 7.798,1108 25.514,1109 3.606,1110 15.651,1111 18.612,1112 6.531,1113 31.659,1114 14.77,1115 2.192,1116 7.158,1117 27.377,1118 3.189,1119 16.789,1120 20.039,1121 7.084,1122 34.064,1123 15.838,1124 2.064,1125 6.43,1126 29.246,1127 3.054,1128 17.906,1129 21.345,1130 7.551,1131 36.464,1132 16.878,1133 21478,1134 36471,1135 29.126,1136 42.881,1137 63.238,1138 64.522,1139 64.018,1140 63.137,1141 62.971,1142 77.2,1143 10.446,1144 180.49,1145 58.423,1146 5.431,1147 5.563,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 12.078,1156 1.506,1157 1.536,1158 1.524,1159 1.503,1160 1.499,1161 1.838,1162 0.249,1163 4.297,1164 1.391,1165 4.039,1166 4.089,1167 4.01,1168 3.902,1169 7.431,1170 3.914,1171 3.912,1172 3.954,1173 3.959,1174 3.776,1175 5.083,1176 3.783,1177 3.867,1178 3.906,1179 3.825,1180 3.757,1181 5.043,1182 3.765,1183 3.791,1184 3.846,1185 3.706,1186 3.579,1187 4.703,1188 3.603,1189 3.577,1190 3.633,1191 3.524,1192 3.347,1193 4.631,1194 3.381,1195 3.38,1196 3.424,1197 3.423,1198 3.084,1199 4.597,1200 3.142,1201 3.144,1202 3.206,1203 3.208,1204 2.951,1205 4.377,1206 2.926,1207 3.111,1208 3.206,1209 2.956,1210 2.941,1211 4.078,1212 2.91,1213 0.105,1214 0.085,1215 0.162,1216 0.099,1217 0.077,1218 4.431,1219 0.097,1220 3.563,1221 0.039,1222 6.817,1223 0.269,1224 4.146,1225 0.071,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.93,1232 1.9,1233 2.018,1234 2.075,1235 1.255,1236 2.052,1237 1.816,1238 1.781,1239 1.922,1240 1.983,1241 1.208,1242 1.967,1243 1.747,1244 1.692,1245 1.894,1246 1.933,1247 1.187,1248 1.931,1249 1.662,1250 1.608,1251 1.86,1252 1.902,1253 1.099,1254 1.89,1255 1.604,1256 1.543,1257 1.853,1258 1.76,1259 0.943,1260 1.798,1261 1.439,1262 1.387,1263 1.532,1264 1.698,1265 0.825,1266 1.66,1267 1.214,1268 1.168,1269 1.513,1270 1.532,1271 0.512,1272 1.48,1273 1.153,1274 1.064,1275 1.332,1276 1.376,1277 0.496,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.294,1284 4.844,1285 8.903,1286 6.986,1287 10.558,1290 5.887,1295 6.302,1296 5.564,1297 11.295,1299 0.568,1300 4.455,1305 41.411,1306 110.767,1307 239.78,1308 300.49,1309 326,1310 330,1311 332,1312 56.02,1313 8.601,1314 117.63,1315 117.63,1316 35,1317 12.911,1318 4.322,1319 3.459,1320 51.079,1321 181,1322 199,1323 0.132,1324 251.621,1325 437.38,1326 605.714,1327 73022,1328 1.6,1329 25.192,1330 0.681,1331 0.565,1332 25.692,1333 20.895,1334 18.119,1335 0.431,1336 0.304,1337 12.161,1338 16.916,1339 11.984,1340 9.767,1341 18.408,1342 12.749,1343 16.486,1344 0.279,1345 0.163,1346 16.895,1347 9.599,1348 13.899,1349 0.176,1350 0.088,1351 14.161,1352 6.969,1353 12.332,1354 0.114,1355 0.047,1356 12.601,1357 5.108,1358 10.001,1359 0.072,1360 0.025,1361 10.167,1362 3.382,1363 0.21,1364 118.039,1365 0.185,1366 33.915,1367 0.354,1368 202,1369 619.946,1370 244.18,1371 615.866,1372 838.17,1373 580,1374 239,1375 597.532,1376 275.106,1377 607.029,1378 898.66,1379 572,1380 7.638}
{0 CHEMBL1258635,1 1.664,2 13.639,3 1.74,4 3.028,5 131.726,6 7.771,7 0.439,8 4.285,9 4.409,10 3.898,11 3.732,12 5.364,13 3.755,14 4.864,15 5.042,16 4.265,17 4.144,18 5.94,19 4.14,20 5.107,21 5.326,22 4.286,23 4.293,24 6.071,25 4.247,26 5.115,27 5.368,28 4.213,29 4.211,30 6.112,31 4.158,32 5.001,33 5.236,34 4.245,35 4.15,36 6.155,37 4.136,38 4.903,39 5.089,40 4.253,41 4.213,42 5.936,43 4.194,44 5.043,45 5.235,46 4.267,47 4.365,48 6.018,49 4.305,50 5.242,51 5.465,52 4.208,53 4.476,54 6.13,55 4.34,56 0.109,57 1.042,58 12.42,59 4.839,60 8.933,61 6.629,62 0.698,63 1.643,64 26.257,65 8.495,66 45.477,67 11.548,68 0.74,69 1.933,70 35.842,71 10.76,72 47.941,73 15.881,74 0.695,75 1.871,76 38.007,77 10.274,78 57.945,79 16.156,80 0.953,81 1.726,82 33.448,83 8.037,84 87.24,85 12.634,86 0.459,87 1.75,88 26.521,89 8.5,90 30.898,91 12.2,92 0.661,93 1.948,94 30.878,95 10.655,96 41.313,97 15.087,98 0.526,99 2.116,100 39.936,101 16.814,102 58.45,103 23.449,104 2,105 57,106 0.265,107 0.592,108 0.749,109 0.794,110 0.805,111 0.805,112 3.616,113 0.886,114 -3.68,115 -3.65,116 -3.47,119 38.1,121 2,125 6,127 2,142 4,143 1,144 2,145 2,148 1,149 1,150 2,159 1,172 5,174 8,175 4,178 2,179 1,180 2,183 4,186 2,187 6,190 2,192 2,195 2,198 3,199 13,204 3,211 6,212 8,215 2,217 2,224 11,227 2,229 1,232 2,236 4,237 6,245 4,249 2,250 8,253 5,258 4,263 8,275 2670,276 25.101,277 25.101,278 25.101,279 25.101,280 25.101,281 22.888,282 35.795,283 15.047,284 25.987,285 20.34,286 20.34,287 20.34,288 20.34,289 20.34,290 16.968,291 56.906,292 7.245,293 21.776,294 4.313,295 2.259,296 1.27,297 0.984,298 0.921,299 0.921,300 4.338,305 1,306 1110,307 3.162,310 86.593,311 604.06,312 118.286,318 2.144,319 35.862,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 79.5,331 491,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.155,342 3.461,343 6.278,344 3.887,345 2.942,346 3.616,347 0.86,348 9.552,349 2.8,350 4.009,351 3.136,352 6.022,353 3.691,354 2.746,355 3.472,356 0.86,357 8.657,358 2.579,359 3.936,360 2.832,361 5.569,362 3.587,363 2.635,364 3.185,365 0.8,366 7.637,367 2.494,368 3.733,369 2.559,370 5.336,371 3.368,372 2.415,373 3.041,374 0.8,375 6.946,376 2.298,377 3.443,378 2.481,379 5.245,380 3.09,381 2.155,382 2.652,383 0.247,384 6.415,385 2.01,386 3.315,387 2.317,388 5.086,389 2.903,390 1.926,391 2.494,393 5.839,394 1.867,395 2.93,396 2.258,397 4.67,398 2.851,399 1.879,400 2.029,402 5.083,403 1.822,404 2.879,405 2.016,406 4.492,407 2.647,408 1.753,409 1.97,411 4.502,412 1.563,413 2.853,414 1.883,415 4.204,416 2.338,417 1.422,418 1.879,420 3.731,421 1.299,422 2.739,423 1.519,424 3.853,425 2.266,426 1.346,427 1.815,428 2.987,429 1.235,430 2.5,431 1.512,432 3.569,433 2.166,434 1.277,435 1.5,436 2.87,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.607,446 1,447 2.323,448 1.256,449 3.488,450 1.952,451 1,452 1.32,454 2.275,455 0.946,456 2.2,457 1,458 3.414,459 1.931,460 1,461 1.176,463 2.198,464 0.919,465 16.6,466 0.461,467 0.705,468 0.02,469 48.25,470 1.34,471 21.5,472 0.597,473 26.75,474 0.743,475 31.072,476 0.863,477 39.2,478 0.622,479 37.6,480 1.044,481 9.272,482 0.258,483 8.454,484 0.235,485 0.02,487 0.319,493 0.886,494 1.683,495 0.724,496 1.273,497 0.619,498 1.006,499 1.069,500 0.971,501 0.948,502 0.941,503 0.687,504 0.935,505 1.035,506 1.14,507 1.014,508 1.033,509 0.878,510 1.022,511 0.952,512 1.132,513 0.927,514 0.981,515 0.904,516 0.942,517 1.092,518 0.816,519 0.949,520 0.646,521 1.444,522 0.725,523 1.032,524 1.217,525 1.03,526 1.077,527 0.981,528 1.038,529 0.873,530 0.976,531 1.19,532 1.084,533 0.732,534 1.164,535 0.407,536 1.11,537 1.052,538 1.495,539 0.395,540 1.436,541 6,542 0.127,543 3.111,544 1.875,545 1.139,546 1.326,547 0.886,548 0.342,549 0.255,550 0.307,551 21906,552 58730,553 2.221,554 42.9,556 18,558 3,559 2,561 4,564 1.775,565 2.16,566 3.645,567 0.259,573 104.863,574 1.664,575 3.718,576 4.707,577 4.993,578 5.057,579 5.057,580 3.03,581 4.427,582 5.137,583 3.899,584 2456.44,585 9.038,586 39723.9,591 376.569,592 1.056,593 5.134,594 0.146,595 0.005,596 0.055,597 0.033,598 0.022,599 0.024,600 0.016,601 0.006,602 0.005,603 0.009,604 0.32,605 0.33,606 0.63,607 0.287,608 197.105,609 -0.08,610 -0.422,611 0.079,612 -0.184,613 0.004,614 -0.044,615 0.032,616 0.165,617 -0.029,618 0.048,619 0.087,620 -0.01,621 -0.082,622 -0.106,623 -0.06,624 -0.042,625 -0.041,626 -0.049,627 -0.065,628 -0.148,629 0.065,630 -0.03,631 0.013,632 0.035,633 -0.009,634 0.24,635 0.045,636 0.253,637 -0.02,638 0.184,639 -0.18,640 -0.053,641 -0.146,642 -0.072,643 -0.115,644 -0.091,645 -0.101,646 0.17,647 -0.315,648 -0.051,649 -0.106,650 -0.189,651 0.187,652 -0.13,653 -0.148,654 -0.366,655 0.15,656 -0.34,657 2.044,658 5.301,659 0.889,660 44.185,661 1.014,662 1.14,663 2.452,664 6.01,665 0.655,666 3.738,667 4.06,668 4.357,669 4.663,670 4.913,671 5.017,672 5.209,673 5.389,674 5.549,675 5.707,676 8.098,677 0.636,678 489.6,679 3.738,680 5.283,681 6.142,682 7.024,683 7.898,684 8.787,685 9.67,686 10.565,687 11.453,688 12.352,689 14.3,695 2,696 2,699 5,702 1,704 7,705 5,709 6,711 18,726 2,731 63,733 19,734 1,735 41,737 68,738 24,739 13,740 2,741 4,746 6,747 7,751 1,755 4,758 4,761 14,762 10,766 1,771 1,775 1,781 27,782 12,783 2,784 12,790 9,794 0.833,795 3,806 1,808 1,811 1,812 5,813 1,839 2,840 5,848 36,854 8,855 2,856 2,858 2,859 2,870 4.8,873 1,874 2,877 16.667,878 11.15,879 7.806,880 3.826,881 3.145,882 1.369,883 0.999,884 6.707,885 11.671,886 3.951,887 4.483,888 5.002,889 5.566,890 6.102,891 6.336,892 6.785,893 7.187,894 7.514,895 7.889,896 0.889,897 57,898 13.326,900 5.762,901 7.676,902 25.649,904 21.504,905 2.176,906 78.333,910 294.278,911 111.369,912 126.198,914 47.145,917 111.369,918 341.422,919 126.198,921 63.672,922 37.905,923 166.386,924 43.989,925 8.074,926 258.964,928 294.278,929 237.567,930 47.145,933 249.521,934 72.229,935 22,937 94.183,938 57.129,939 83.928,941 294.278,942 173.342,943 111.369,946 294.278,947 46.751,948 70.867,949 36.022,950 131.072,951 294.278,952 173.342,953 111.369,955 0.577,956 0.336,957 0.191,958 0.104,959 29,960 11,961 0.074,962 5,963 2,964 1.094,965 4.786,966 358.066,967 0.125,968 31,969 168.117,974 23.194,975 10.409,976 5.183,978 173.342,979 11.915,980 22.371,984 3.958,986 36.022,987 578.989,988 51,993 12.301,997 -0.377,999 63.851,1000 71.85,1001 0.278,1002 0.622,1003 0.788,1004 0.835,1005 0.846,1006 0.846,1007 5.201,1008 1.879,1009 6.107,1010 5.839,1011 4.745,1012 5.17,1013 2.368,1014 6.907,1015 4.616,1016 6.359,1017 1.753,1018 7.647,1019 5.083,1020 4.205,1021 4.771,1022 1.404,1023 7.753,1024 4.039,1025 7.637,1026 1.422,1027 9.288,1028 4.502,1029 6.319,1030 7.219,1031 2.66,1032 10.884,1033 6.068,1034 8.945,1035 1.346,1036 10.99,1037 3.731,1038 6.635,1039 7.629,1040 2.382,1041 12.617,1042 6.336,1043 10.286,1044 1.277,1045 12.735,1046 2.987,1047 8.176,1048 9.555,1049 3.324,1050 15.245,1051 7.799,1052 11.65,1053 1.053,1054 14.51,1055 2.87,1056 8.908,1057 10.363,1058 3.421,1059 17.358,1060 8.471,1061 13.031,1062 1,1063 16.307,1064 2.607,1065 10.203,1066 12.044,1067 4.179,1068 19.822,1069 9.694,1070 3.22,1071 1,1072 18.121,1073 2.275,1074 11.144,1075 13.076,1076 4.467,1077 22.101,1078 10.565,1079 2.942,1080 11.296,1081 19.95,1082 2.198,1083 12.336,1084 14.625,1085 5.118,1086 24.516,1087 11.686,1088 2.746,1089 9.552,1090 21.79,1091 4.057,1092 13.378,1093 15.792,1094 5.504,1095 26.867,1096 12.655,1097 2.635,1098 8.657,1099 23.64,1100 3.616,1101 14.531,1102 17.268,1103 6.093,1104 29.272,1105 13.736,1106 2.415,1107 7.637,1108 25.498,1109 3.472,1110 15.624,1111 18.519,1112 6.531,1113 31.656,1114 14.754,1115 2.155,1116 6.946,1117 27.363,1118 3.185,1119 16.765,1120 19.953,1121 7.084,1122 34.062,1123 15.822,1124 1.926,1125 6.415,1126 29.234,1127 3.041,1128 17.884,1129 21.257,1130 7.551,1131 36.463,1132 16.864,1133 19872,1134 32728,1135 28.72,1136 41.267,1137 61.63,1138 62.68,1139 61.874,1140 61.282,1141 61.314,1142 75.367,1143 10.446,1144 174.169,1145 57.361,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 8.136,1156 1.503,1157 1.529,1158 1.509,1159 1.495,1160 1.495,1161 1.838,1162 0.255,1163 4.248,1164 1.399,1165 4.038,1166 4.088,1167 3.991,1168 3.9,1169 7.431,1170 3.912,1171 3.908,1172 3.951,1173 3.835,1174 3.776,1175 5.08,1176 3.783,1177 3.835,1178 3.892,1179 3.784,1180 3.652,1181 5.016,1182 3.679,1183 3.79,1184 3.844,1185 3.701,1186 3.579,1187 4.703,1188 3.603,1189 3.575,1190 3.632,1191 3.503,1192 3.346,1193 4.631,1194 3.38,1195 3.371,1196 3.42,1197 3.323,1198 3.067,1199 4.597,1200 3.128,1201 3.144,1202 3.206,1203 2.956,1204 2.951,1205 4.086,1206 2.926,1207 3.111,1208 3.206,1209 2.89,1210 2.941,1211 4.061,1212 2.91,1213 0.108,1214 0.087,1215 0.166,1216 0.101,1217 0.079,1218 4.431,1219 0.099,1220 3.562,1221 0.04,1222 6.817,1223 0.276,1224 4.146,1225 0.073,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.93,1232 1.899,1233 2.018,1234 2.075,1235 1.255,1236 2.052,1237 1.758,1238 1.704,1239 1.921,1240 1.983,1241 1.208,1242 1.961,1243 1.736,1244 1.683,1245 1.86,1246 1.932,1247 1.187,1248 1.918,1249 1.661,1250 1.608,1251 1.854,1252 1.902,1253 1.099,1254 1.889,1255 1.604,1256 1.543,1257 1.841,1258 1.76,1259 0.825,1260 1.798,1261 1.438,1262 1.386,1263 1.531,1264 1.698,1265 0.803,1266 1.659,1267 1.206,1268 1.157,1269 1.513,1270 1.533,1271 0.511,1272 1.479,1273 1.153,1274 1.064,1275 1.332,1276 1.376,1277 0.496,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.259,1284 4.844,1285 8.866,1286 6.986,1287 10.52,1295 6.329,1296 5.511,1297 11.288,1299 0.577,1300 4.459,1305 40.078,1306 104.863,1307 234.249,1308 296.569,1309 314.569,1310 318.569,1311 318.569,1312 51.859,1313 8.526,1314 130.52,1315 130.52,1316 35,1317 12.878,1318 4.322,1319 3.459,1320 49.034,1321 170,1322 204,1323 0.134,1324 240.49,1325 415.87,1326 578.555,1327 66063,1329 24.321,1330 0.676,1331 0.547,1332 24.321,1333 19.708,1334 17.725,1335 0.432,1336 0.295,1337 11.852,1338 16.743,1339 11.721,1340 9.572,1341 17.725,1342 12.111,1343 15.853,1344 0.278,1345 0.157,1346 15.853,1347 8.972,1348 13.578,1349 0.176,1350 0.086,1351 13.578,1352 6.596,1353 11.981,1354 0.114,1355 0.046,1356 11.981,1357 4.818,1358 9.871,1359 0.073,1360 0.024,1361 9.871,1362 3.217,1363 0.214,1364 113.046,1365 0.187,1366 33.147,1367 0.363,1368 196,1369 605.388,1370 223.121,1371 571.257,1372 787.24,1373 540,1374 232,1375 582.43,1376 259.901,1377 582.852,1378 859.97,1379 548,1380 7.076}
{0 CHEMBL1258688,1 1.632,2 10.036,3 2.655,4 7.051,5 103.726,6 8.14,7 0.71,8 3.958,9 4.077,10 3.599,11 3.479,12 5.179,13 3.492,14 4.428,15 4.586,16 3.958,17 3.838,18 5.657,19 3.843,20 4.586,21 4.751,22 4.007,23 3.936,24 5.794,25 3.926,26 4.665,27 4.866,28 3.952,29 3.924,30 5.832,31 3.889,32 4.634,33 4.849,34 3.912,35 3.908,36 5.722,37 3.871,38 4.616,39 4.812,40 3.956,41 3.926,42 5.831,43 3.897,44 4.662,45 4.879,46 3.902,47 3.931,48 5.726,49 3.885,50 4.61,51 4.813,52 3.823,53 3.863,54 5.76,55 3.797,56 0.099,57 0.737,58 7.952,59 3.59,60 9.889,61 4.355,62 0.312,63 1.118,64 15.019,65 5.814,66 30.658,67 7.282,68 0.287,69 1.291,70 17.617,71 6.599,72 31.448,73 8.296,74 0.465,75 1.359,76 20.757,77 7.1,78 42.853,79 9.334,80 0.32,81 1.287,82 21.105,83 7.287,84 35.589,85 9.909,86 0.469,87 1.321,88 19.258,89 6.461,90 46.946,91 8.623,92 0.309,93 1.317,94 21.445,95 7.457,96 30.911,97 10.168,98 0.5,99 1.206,100 20.079,101 7.506,102 34.046,103 10.081,104 21,105 44,106 0.275,107 0.65,108 0.787,109 0.874,110 0.889,111 0.889,112 3.375,113 0.828,114 -4.43,115 -4.36,116 -4.11,119 43.5,124 2,142 8,143 3,144 2,145 1,147 1,149 1,158 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 9,177 1,178 2,180 4,183 9,185 1,186 1,187 7,192 3,195 4,197 2,198 2,199 10,202 4,204 4,207 3,209 2,212 7,217 3,220 3,222 1,223 3,224 12,226 2,227 2,229 2,232 5,237 6,242 1,245 6,249 4,250 6,252 1,253 2,254 1,255 1,257 1,258 7,260 1,262 1,263 2,265 1,266 1,271 6,275 1226,276 18.972,277 18.972,278 18.972,279 18.972,280 18.972,281 16.269,282 19.787,283 11.028,284 19.372,285 15.249,286 15.249,287 15.249,288 15.249,289 15.249,290 11.085,291 28.707,292 5.165,293 15.841,294 3.891,295 1.669,296 0.859,297 0.337,298 0.25,299 0.25,300 4.071,303 1,304 1,305 1,306 605,307 3.082,310 61.324,311 233.951,314 109.05,318 1.472,319 26.153,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 61,331 281,332 4.648,333 3.504,334 6.725,335 4.16,336 3.207,337 4.613,338 0.98,339 10.96,340 3.057,341 4.25,342 3.249,343 6.177,344 3.863,345 2.867,346 3.882,347 0.86,348 9.161,349 2.854,350 4.077,351 2.918,352 5.83,353 3.656,354 2.698,355 3.678,356 0.4,357 7.97,358 2.584,359 3.881,360 2.744,361 5.737,362 3.511,363 2.525,364 3.311,366 7.868,367 2.483,368 3.671,369 2.567,370 5.494,371 3.254,372 2.319,373 3.075,375 7.12,376 2.161,377 3.299,378 2.162,379 4.944,380 2.897,381 1.952,382 2.559,384 5.685,385 1.836,386 3.157,387 1.995,388 4.503,389 2.64,390 1.66,391 2.42,393 4.455,394 1.619,395 2.773,396 1.455,397 4.343,398 2.287,399 1.334,400 1.884,402 3.776,403 1.268,404 2.704,405 1.407,406 3.845,407 2.22,408 1.243,409 1.787,411 2.979,412 1.209,413 2.643,414 1.273,415 3.645,416 2.154,417 1.175,418 1.699,420 2.646,421 1.147,422 2.53,423 1.15,424 3.49,425 2.016,426 1,427 1.475,428 2.341,429 1.01,430 2.343,431 0.938,432 3.435,433 1.836,434 0.893,435 1.275,436 2.307,437 0.84,438 1.584,439 0.924,440 2.962,441 1.294,442 0.43,443 0.482,445 0.627,446 0.368,447 1.345,448 0.174,449 2.694,450 0.959,451 0.03,452 0.038,454 0.083,455 0.028,456 1.001,457 0.133,458 2.639,459 0.587,460 -0.362,461 -0.47,463 -0.939,464 -0.341,465 13.067,466 0.467,467 0.712,468 0.025,469 41.25,470 1.473,471 22.5,472 0.804,473 18.75,474 0.67,475 18.966,476 0.677,477 28.933,478 0.629,479 32.281,480 1.153,481 8.453,482 0.302,483 5.093,484 0.182,485 0.133,487 0.375,493 0.839,494 1.23,495 0.716,496 1,497 0.766,498 0.856,499 0.938,500 1.007,501 0.736,502 0.833,503 0.564,504 0.766,505 1.136,506 1.315,507 0.974,508 1.095,509 0.982,510 1.019,511 0.973,512 1.014,513 1.057,514 1.014,515 1.054,516 1.039,517 0.951,518 1.134,519 0.866,520 0.93,521 0.806,522 0.884,523 0.88,524 0.982,525 1.033,526 0.914,527 0.712,528 0.968,529 0.904,530 1.072,531 0.943,532 0.991,533 0.677,534 0.96,535 0.675,536 0.945,537 1.037,538 1.119,539 0.738,540 1.146,541 6,542 0.083,543 3.111,544 1.819,545 1.529,546 1.101,547 0.629,548 0.478,549 0.421,550 0.248,551 9148,552 27013,553 2.094,554 39.1,556 14,558 1,559 3,564 1.716,565 1.953,566 3.318,567 0.953,568 1,569 1,573 75.077,574 1.632,575 3.854,576 4.665,577 5.186,578 5.273,579 5.273,580 2.74,581 4.593,582 4.778,583 3.455,584 1305.86,585 8.342,586 16908.5,588 1,590 1,591 254.084,592 1.432,593 4.736,594 0.194,595 0.006,596 0.071,597 0.04,598 0.037,599 0.027,600 0.015,601 0.012,602 0.012,603 0.01,604 0.423,605 0.17,606 1,607 0.845,608 138.73,609 -0.053,610 -0.073,611 0.041,612 -0.025,613 -0.141,614 0.019,615 0.035,616 0.082,617 0.127,618 0.133,619 0.137,620 0.138,621 -0.164,622 -0.24,623 -0.101,624 -0.139,625 -0.08,626 -0.117,627 -0.006,628 0.047,629 -0.123,630 -0.083,631 -0.125,632 -0.123,633 -0.102,634 -0.133,635 0.089,636 0.046,637 -0.019,638 0.095,639 0.018,640 0.115,641 -0.128,642 0.009,643 0.075,644 -0.066,645 -0.102,646 -0.061,647 0.005,648 -0.019,649 -0.032,650 0.018,651 0.26,652 0.046,653 -0.088,654 -0.133,655 0.062,656 -0.173,657 2.168,658 4.521,659 0.75,660 24.5,661 1.012,662 1.128,663 3.204,664 10.263,665 0.685,666 3.466,667 3.807,668 4.094,669 4.369,670 4.625,671 4.745,672 4.934,673 5.094,674 5.209,675 5.293,676 6.091,677 0.668,678 374.44,679 3.466,680 5.017,681 5.878,682 6.765,683 7.645,684 8.539,685 9.428,686 10.325,687 11.219,688 12.12,689 13,696 1,697 2,699 3,703 2,704 9,705 3,709 6,710 1,711 22,717 1,724 1,729 1,731 46,733 23,734 2,735 31,737 49,738 20,739 17,740 4,741 8,742 1,746 4,747 5,761 18,762 2,766 1,771 1,775 1,777 1,778 1,781 18,782 7,783 3,784 8,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,840 3,844 2,848 28,849 1,855 1,856 1,870 4.3,873 1,875 1,877 14.333,878 8.967,879 6.139,880 2.459,881 4.106,882 1.534,883 1.015,884 4.778,885 11.795,886 3.784,887 4.446,888 5.087,889 5.718,890 6.293,891 6.669,892 7.179,893 7.664,894 8.061,895 8.474,896 0.857,897 45,898 10.26,900 4.348,901 7.821,902 19.234,904 15.434,905 2.321,906 65,909 1,910 176.567,911 132.157,912 102.919,914 36.145,917 132.157,918 212.711,919 102.919,920 19.279,921 32.897,922 75.81,923 93.57,924 59.107,925 2.328,926 164.795,928 176.567,929 235.075,930 36.145,933 178.894,934 36.145,937 63.447,938 119.066,939 50.234,941 176.567,942 139.063,943 132.157,946 176.567,947 28.02,948 105.913,949 18.011,950 119.276,951 176.567,952 139.063,953 132.157,955 0.585,956 0.345,957 0.183,958 0.102,959 22,960 10,961 0.102,962 5,963 1,964 1.095,965 3.886,966 251.465,967 0.095,968 21,969 132.606,974 18.107,975 7.389,976 3.614,977 1.444,978 137.287,979 16.171,980 13.569,984 3.702,985 1.676,986 50.908,987 447.787,988 43,993 11.521,997 -0.502,999 46.567,1000 51.9,1001 0.295,1002 0.698,1003 0.845,1004 0.939,1005 0.955,1006 0.955,1007 5.014,1008 1.334,1009 5.872,1010 4.455,1011 4.489,1012 5.133,1013 1.552,1014 6.696,1015 4.416,1016 6.249,1017 1.243,1018 7.44,1019 3.776,1020 4.111,1021 4.997,1023 7.603,1024 4.01,1025 7.571,1026 1.175,1027 9.105,1028 2.979,1029 6.098,1030 7.412,1031 1.383,1032 10.7,1033 5.958,1034 8.931,1035 1,1036 10.825,1037 2.646,1038 6.524,1039 8.104,1041 12.422,1042 6.35,1043 10.321,1044 0.893,1045 12.581,1046 2.341,1047 7.988,1048 9.99,1049 1.277,1050 15.036,1051 7.781,1052 11.733,1053 0.43,1054 14.362,1055 2.307,1056 8.781,1057 11.086,1059 17.112,1060 8.536,1061 13.162,1062 0.03,1063 16.16,1064 0.627,1065 10.036,1066 12.749,1067 1.193,1068 19.56,1069 9.759,1070 3.207,1071 -0.362,1072 17.972,1073 0.083,1074 11.006,1075 14.052,1077 21.799,1078 10.686,1079 2.867,1080 10.96,1081 19.795,1082 -0.939,1083 12.179,1084 15.621,1085 1.123,1086 24.194,1087 11.823,1088 2.698,1089 9.161,1090 21.628,1091 4.613,1092 13.235,1093 17.03,1095 26.509,1096 12.834,1097 2.525,1098 7.97,1099 23.468,1100 3.882,1101 14.379,1102 18.562,1103 1.062,1104 28.891,1105 13.938,1106 2.319,1107 7.868,1108 25.315,1109 3.678,1110 15.477,1111 20.026,1113 31.242,1114 14.989,1115 1.952,1116 7.12,1117 27.168,1118 3.311,1119 16.615,1120 21.546,1121 1.01,1122 33.623,1123 16.083,1124 1.66,1125 5.685,1126 29.027,1127 3.075,1128 17.736,1129 23.038,1131 35.993,1132 17.156,1133 8807,1134 15269,1135 20.69,1136 31.512,1137 47.054,1138 47.774,1139 48.451,1140 46.582,1141 46.666,1142 64.355,1143 4.48,1144 135.954,1145 44.929,1146 5.427,1147 5.504,1148 6.318,1149 5.239,1150 5.207,1151 7.613,1152 1.96,1153 18.135,1154 5.057,1155 13.938,1156 1.518,1157 1.541,1158 1.563,1159 1.503,1160 1.505,1161 2.076,1162 0.145,1163 4.386,1164 1.449,1165 4.119,1166 4.168,1167 4.099,1168 3.974,1169 7.437,1170 3.996,1171 3.901,1172 3.926,1173 3.85,1174 3.826,1175 5.151,1176 3.828,1177 3.882,1178 3.914,1179 3.829,1180 3.775,1181 4.899,1182 3.787,1183 3.415,1184 3.483,1185 3.36,1186 3.166,1187 4.868,1188 3.204,1189 3.312,1190 3.373,1191 3.221,1192 3.05,1193 4.7,1194 3.08,1195 3.235,1196 3.305,1197 3.073,1198 2.965,1199 4.498,1200 2.977,1201 3.05,1202 3.118,1203 2.946,1204 2.887,1205 4.377,1206 2.89,1207 2.963,1208 3.058,1209 2.769,1210 2.776,1211 4.052,1212 2.764,1213 0.15,1214 0.113,1215 0.217,1216 0.134,1217 0.103,1218 4.648,1219 0.149,1220 3.504,1221 0.032,1222 6.725,1223 0.354,1224 4.16,1225 0.099,1226 3.207,1227 4.613,1228 0.98,1229 10.96,1230 3.057,1231 1.96,1232 1.934,1233 2.035,1234 2.082,1235 1.13,1236 2.064,1237 1.882,1238 1.858,1239 1.987,1240 1.984,1241 1.069,1242 1.985,1243 1.737,1244 1.705,1245 1.81,1246 1.889,1247 0.93,1248 1.87,1249 1.437,1250 1.345,1251 1.659,1252 1.734,1253 0.688,1254 1.71,1255 1.225,1256 1.188,1257 1.569,1258 1.531,1259 0.573,1260 1.531,1261 1.198,1262 1.126,1263 1.399,1264 1.509,1265 0.298,1266 1.494,1267 1.02,1268 0.963,1269 1.225,1270 1.226,1271 0.242,1272 1.237,1273 0.953,1274 0.884,1275 1.182,1276 1.192,1277 0.228,1278 1.192,1279 4.143,1281 5.476,1282 2.398,1283 7.004,1284 4.727,1285 8.619,1286 6.823,1287 10.282,1289 3.432,1293 5.4,1296 3.306,1297 5.28,1305 30.719,1306 75.077,1307 177.29,1308 214.574,1309 238.574,1310 242.574,1311 242.574,1312 40.828,1313 7.689,1314 107.95,1315 107.95,1316 23,1317 12.643,1318 4.585,1319 3.7,1320 42.147,1321 101,1322 108,1323 0.204,1324 189.601,1325 316.06,1326 454.385,1327 22195,1329 19.673,1330 0.703,1331 0.549,1332 19.673,1333 15.379,1334 13.546,1335 0.437,1336 0.276,1337 8.404,1338 12.927,1339 8.169,1340 6.825,1341 13.546,1342 8.56,1343 12.347,1344 0.281,1345 0.141,1346 12.347,1347 6.203,1348 10.492,1349 0.178,1350 0.073,1351 10.492,1352 4.33,1353 8.679,1354 0.111,1355 0.037,1356 8.679,1357 2.896,1358 7.21,1359 0.071,1360 0.019,1361 7.21,1362 1.935,1363 0.313,1364 85.596,1365 0.22,1366 26.314,1367 0.582,1368 150,1369 465.697,1370 166.25,1371 452.873,1372 626.86,1373 424,1374 178,1375 474.376,1376 194.781,1377 481.893,1378 701.84,1379 451,1380 7.143}
{0 CHEMBL1258743,1 1.664,2 13.639,3 1.901,4 3.613,5 132.736,6 7.771,7 0.439,8 4.285,9 4.41,10 3.898,11 3.735,12 5.368,13 3.756,14 4.862,15 5.037,16 4.264,17 4.146,18 5.933,19 4.141,20 5.114,21 5.336,22 4.284,23 4.293,24 6.073,25 4.248,26 5.11,27 5.359,28 4.214,29 4.217,30 6.111,31 4.162,32 5.011,33 5.249,34 4.241,35 4.155,36 6.143,37 4.14,38 4.908,39 5.092,40 4.258,41 4.213,42 5.972,43 4.194,44 5.039,45 5.234,46 4.263,47 4.369,48 5.998,49 4.307,50 5.241,51 5.461,52 4.209,53 4.482,54 6.129,55 4.345,56 0.127,57 1.042,58 12.448,59 4.939,60 9.933,61 6.688,62 0.661,63 1.641,64 26.041,65 8.568,66 43.456,67 11.67,68 0.754,69 1.938,70 36.354,71 10.586,72 49.041,73 15.779,74 0.693,75 1.871,76 37.506,77 10.404,78 57.294,79 16.163,80 0.904,81 1.735,82 33.94,83 8.151,84 82.111,85 12.873,86 0.536,87 1.751,88 26.731,89 8.516,90 40.058,91 12.13,92 0.642,93 1.947,94 30.75,95 10.784,96 37.652,97 15.285,98 0.502,99 2.12,100 39.63,101 17.006,102 57.092,103 23.626,104 2,105 57,106 0.265,107 0.595,108 0.745,109 0.81,110 0.82,111 0.82,112 3.616,113 0.887,114 -3.68,115 -3.65,116 -3.47,119 38.1,121 2,125 6,127 2,142 5,143 1,144 2,145 2,149 1,150 2,159 1,166 1,172 5,174 7,175 5,178 2,179 1,180 3,183 4,186 2,187 7,190 1,192 2,195 2,198 3,199 14,202 1,204 4,211 5,212 8,215 1,217 2,223 1,224 11,227 3,229 1,232 4,236 4,237 4,245 6,249 2,250 8,253 5,258 5,263 9,275 2670,276 25.101,277 25.101,278 25.101,279 25.101,280 25.101,281 22.888,282 35.795,283 15.047,284 25.92,285 20.34,286 20.34,287 20.34,288 20.34,289 20.34,290 16.968,291 56.906,292 7.245,293 21.675,294 4.313,295 2.239,296 1.295,297 0.889,298 0.825,299 0.825,300 4.338,305 1,306 1110,307 3.162,310 86.593,311 604.06,312 118.286,318 2.144,319 35.29,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 79.5,331 491,332 4.431,333 3.562,334 6.817,335 4.146,336 3.22,337 4.057,338 1.656,339 11.296,340 2.986,341 4.155,342 3.461,343 6.278,344 3.887,345 2.942,346 3.616,347 0.86,348 9.552,349 2.8,350 4.009,351 3.136,352 6.022,353 3.692,354 2.746,355 3.472,356 0.86,357 8.657,358 2.583,359 3.936,360 2.832,361 5.569,362 3.591,363 2.635,364 3.185,365 0.8,366 7.637,367 2.501,368 3.733,369 2.559,370 5.336,371 3.373,372 2.415,373 3.041,374 0.8,375 6.946,376 2.309,377 3.443,378 2.481,379 5.245,380 3.092,381 2.155,382 2.652,383 0.247,384 6.415,385 2.015,386 3.315,387 2.317,388 5.086,389 2.909,390 1.926,391 2.494,393 5.839,394 1.877,395 2.93,396 2.258,397 4.67,398 2.851,399 1.879,400 2.029,402 5.083,403 1.822,404 2.879,405 2.016,406 4.492,407 2.647,408 1.753,409 1.97,411 4.502,412 1.563,413 2.853,414 1.883,415 4.204,416 2.367,417 1.422,418 1.879,420 3.731,421 1.341,422 2.739,423 1.519,424 3.853,425 2.274,426 1.346,427 1.815,428 2.987,429 1.244,430 2.5,431 1.512,432 3.569,433 2.166,434 1.277,435 1.5,436 2.87,437 1.12,438 2.5,439 1.277,440 3.532,441 2,442 1.053,443 1.5,445 2.607,446 1,447 2.323,448 1.256,449 3.488,450 1.96,451 1,452 1.32,454 2.275,455 0.957,456 2.2,457 1,458 3.414,459 1.952,460 1,461 1.176,463 2.198,464 0.946,465 16.6,466 0.461,467 0.705,468 0.02,469 47.75,470 1.326,471 21.5,472 0.597,473 26.25,474 0.729,475 31.232,476 0.868,477 39.2,478 0.622,479 37.44,480 1.04,481 9.228,482 0.256,483 8.497,484 0.236,485 0.02,487 0.319,493 0.849,494 1.589,495 0.722,496 1.247,497 0.604,498 0.999,499 1.054,500 1.047,501 0.938,502 0.989,503 0.666,504 0.961,505 1.077,506 1.127,507 1.021,508 0.995,509 0.902,510 0.993,511 0.93,512 1.118,513 0.938,514 1.003,515 0.894,516 0.967,517 1.122,518 0.86,519 0.938,520 0.661,521 1.468,522 0.721,523 1.039,524 1.156,525 1.052,526 1.051,527 1.08,528 1.038,529 0.815,530 0.955,531 1.168,532 1.078,533 0.607,534 1.156,535 0.385,536 1.133,537 1.054,538 1.528,539 0.383,540 1.462,541 6,542 0.127,543 3.111,544 1.875,545 1.139,546 1.326,547 0.886,548 0.342,549 0.255,550 0.307,551 21906,552 58946,553 2.221,554 42.9,556 19,558 2,559 2,561 4,564 1.775,565 2.16,566 3.645,567 0.259,573 104.863,574 1.664,575 3.738,576 4.682,577 5.088,578 5.152,579 5.152,580 3.03,581 4.427,582 5.137,583 3.899,584 2456.44,585 9.038,586 39723.9,591 376.569,592 1.056,593 5.134,594 0.146,595 0.005,596 0.055,597 0.033,598 0.022,599 0.024,600 0.016,601 0.006,602 0.005,603 0.009,604 0.32,605 0.33,606 0.63,607 0.287,608 197.105,609 -0.043,610 -0.326,611 0.081,612 -0.158,613 0.019,614 -0.036,615 0.029,616 0.086,617 -0.024,618 0.012,619 0.093,620 -0.028,621 -0.114,622 -0.096,623 -0.061,624 -0.013,625 -0.058,626 -0.024,627 -0.048,628 -0.126,629 0.048,630 -0.047,631 0.016,632 0.01,633 -0.055,634 0.184,635 0.058,636 0.244,637 -0.06,638 0.196,639 -0.142,640 0.011,641 -0.164,642 -0.053,643 -0.096,644 -0.1,645 -0.081,646 0.192,647 -0.297,648 -0.039,649 -0.082,650 -0.173,651 0.197,652 -0.151,653 -0.155,654 -0.391,655 0.153,656 -0.361,657 2.032,658 5.309,659 0.889,660 44.185,661 1.014,662 1.14,663 2.452,664 6.01,665 0.655,666 3.738,667 4.06,668 4.357,669 4.663,670 4.913,671 5.017,672 5.209,673 5.389,674 5.549,675 5.707,676 8.098,677 0.636,678 489.6,679 3.738,680 5.283,681 6.142,682 7.024,683 7.898,684 8.787,685 9.67,686 10.565,687 11.453,688 12.352,689 14.3,695 2,696 2,699 5,702 1,704 7,705 5,709 6,711 18,726 2,731 63,733 19,734 1,735 41,737 68,738 24,739 13,740 2,741 4,746 6,747 7,751 1,755 4,758 4,761 14,762 10,766 1,771 1,775 1,781 27,782 12,783 2,784 12,790 9,794 0.833,795 3,804 1,808 1,811 1,812 5,813 1,839 2,840 5,848 36,854 8,855 2,856 2,858 2,859 2,870 4.8,873 1,874 2,877 16.667,878 11.15,879 7.806,880 3.844,881 3.145,882 1.369,883 0.998,884 6.707,885 11.671,886 3.951,887 4.483,888 5.002,889 5.566,890 6.102,891 6.336,892 6.785,893 7.187,894 7.514,895 7.889,896 0.889,897 57,898 13.323,900 5.761,901 7.676,902 25.649,904 21.521,905 2.176,906 78.333,910 294.278,911 112.227,912 125.953,914 47.145,917 112.227,918 341.422,919 125.953,921 63.672,922 47.381,923 154.37,924 35.37,925 8.074,926 270.735,928 294.278,929 238.18,930 47.145,933 249.521,934 72.229,935 22,937 85.565,938 66.605,939 83.683,941 294.278,942 173.097,943 112.227,946 294.278,947 46.751,948 71.725,949 36.022,950 130.827,951 294.278,952 173.097,953 112.227,955 0.577,956 0.336,957 0.191,958 0.104,959 29,960 11,961 0.074,962 5,963 2,964 1.094,965 4.786,966 358.066,967 0.125,968 31,969 172.117,974 23.194,975 10.409,976 5.183,978 173.097,979 12.126,980 22.046,984 4.016,986 36.022,987 579.602,988 51,993 12.309,997 -0.365,999 63.851,1000 71.85,1001 0.278,1002 0.625,1003 0.783,1004 0.851,1005 0.862,1006 0.862,1007 5.201,1008 1.879,1009 6.107,1010 5.839,1011 4.745,1012 5.17,1013 2.368,1014 6.907,1015 4.624,1016 6.359,1017 1.753,1018 7.647,1019 5.083,1020 4.205,1021 4.771,1022 1.404,1023 7.753,1024 4.039,1025 7.637,1026 1.422,1027 9.288,1028 4.502,1029 6.319,1030 7.219,1031 2.66,1032 10.884,1033 6.077,1034 8.945,1035 1.346,1036 10.99,1037 3.731,1038 6.635,1039 7.629,1040 2.382,1041 12.617,1042 6.337,1043 10.286,1044 1.277,1045 12.735,1046 2.987,1047 8.176,1048 9.555,1049 3.324,1050 15.245,1051 7.809,1052 11.65,1053 1.053,1054 14.51,1055 2.87,1056 8.908,1057 10.363,1058 3.421,1059 17.358,1060 8.474,1061 13.031,1062 1,1063 16.307,1064 2.607,1065 10.203,1066 12.044,1067 4.179,1068 19.822,1069 9.703,1070 3.22,1071 1,1072 18.121,1073 2.275,1074 11.144,1075 13.076,1076 4.467,1077 22.101,1078 10.57,1079 2.942,1080 11.296,1081 19.95,1082 2.198,1083 12.336,1084 14.625,1085 5.118,1086 24.516,1087 11.694,1088 2.746,1089 9.552,1090 21.79,1091 4.057,1092 13.378,1093 15.792,1094 5.504,1095 26.867,1096 12.66,1097 2.635,1098 8.657,1099 23.64,1100 3.616,1101 14.531,1102 17.268,1103 6.093,1104 29.272,1105 13.743,1106 2.415,1107 7.637,1108 25.498,1109 3.472,1110 15.624,1111 18.519,1112 6.531,1113 31.656,1114 14.758,1115 2.155,1116 6.946,1117 27.363,1118 3.185,1119 16.765,1120 19.953,1121 7.084,1122 34.062,1123 15.827,1124 1.926,1125 6.415,1126 29.234,1127 3.041,1128 17.884,1129 21.257,1130 7.551,1131 36.463,1132 16.868,1133 19872,1134 32792,1135 28.72,1136 41.267,1137 61.63,1138 62.68,1139 61.874,1140 61.303,1141 61.314,1142 75.367,1143 10.446,1144 174.169,1145 57.617,1146 5.431,1147 5.562,1148 6.619,1149 5.25,1150 5.22,1151 7.057,1152 2.912,1153 18.266,1154 4.986,1155 8.136,1156 1.503,1157 1.529,1158 1.509,1159 1.495,1160 1.495,1161 1.838,1162 0.255,1163 4.248,1164 1.405,1165 4.038,1166 4.088,1167 3.991,1168 3.9,1169 7.431,1170 3.912,1171 3.909,1172 3.952,1173 3.835,1174 3.776,1175 5.084,1176 3.783,1177 3.838,1178 3.893,1179 3.786,1180 3.674,1181 5.051,1182 3.695,1183 3.79,1184 3.844,1185 3.701,1186 3.579,1187 4.703,1188 3.603,1189 3.575,1190 3.632,1191 3.502,1192 3.346,1193 4.631,1194 3.38,1195 3.368,1196 3.417,1197 3.321,1198 3.065,1199 4.597,1200 3.125,1201 3.144,1202 3.206,1203 2.956,1204 2.951,1205 4.118,1206 2.926,1207 3.111,1208 3.206,1209 2.89,1210 2.941,1211 4.067,1212 2.91,1213 0.108,1214 0.087,1215 0.166,1216 0.101,1217 0.079,1218 4.431,1219 0.099,1220 3.562,1221 0.04,1222 6.817,1223 0.276,1224 4.146,1225 0.073,1226 3.22,1227 4.057,1228 1.656,1229 11.296,1230 2.986,1231 1.93,1232 1.899,1233 2.018,1234 2.075,1235 1.255,1236 2.052,1237 1.768,1238 1.718,1239 1.921,1240 1.983,1241 1.208,1242 1.962,1243 1.742,1244 1.689,1245 1.865,1246 1.933,1247 1.187,1248 1.921,1249 1.662,1250 1.608,1251 1.86,1252 1.902,1253 1.099,1254 1.89,1255 1.604,1256 1.543,1257 1.852,1258 1.76,1259 0.86,1260 1.798,1261 1.438,1262 1.386,1263 1.531,1264 1.698,1265 0.825,1266 1.659,1267 1.203,1268 1.154,1269 1.513,1270 1.53,1271 0.512,1272 1.475,1273 1.153,1274 1.064,1275 1.33,1276 1.376,1277 0.496,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.259,1284 4.844,1285 8.866,1286 6.986,1287 10.52,1295 6.333,1296 5.541,1297 11.289,1299 0.578,1300 4.46,1305 40.078,1306 104.863,1307 235.494,1308 294.959,1309 320.569,1310 324.569,1311 324.569,1312 52.132,1313 8.526,1314 130.52,1315 130.52,1316 35,1317 12.878,1318 4.322,1319 3.459,1320 49.034,1321 170,1322 204,1323 0.134,1324 240.49,1325 415.87,1326 578.555,1327 66063,1329 24.321,1330 0.676,1331 0.547,1332 24.321,1333 19.708,1334 17.725,1335 0.432,1336 0.296,1337 11.873,1338 16.737,1339 11.745,1340 9.59,1341 17.725,1342 12.128,1343 15.853,1344 0.278,1345 0.157,1346 15.853,1347 8.976,1348 13.578,1349 0.176,1350 0.086,1351 13.578,1352 6.62,1353 11.981,1354 0.114,1355 0.046,1356 11.981,1357 4.819,1358 9.871,1359 0.073,1360 0.024,1361 9.871,1362 3.222,1363 0.214,1364 113.046,1365 0.187,1366 33.147,1367 0.363,1368 196,1369 605.388,1370 223.065,1371 571.34,1372 788.72,1373 540,1374 232,1375 587.963,1376 259.79,1377 585.921,1378 862.85,1379 552,1380 7.553}
{0 CHEMBL1258744,1 1.673,2 13.73,3 1.277,4 1.632,5 134.192,6 7.763,7 0.429,8 4.315,9 4.434,10 3.92,11 3.765,12 5.409,13 3.787,14 4.889,15 5.057,16 4.299,17 4.178,18 5.983,19 4.177,20 5.157,21 5.368,22 4.341,23 4.331,24 6.162,25 4.294,26 5.171,27 5.412,28 4.282,29 4.262,30 6.23,31 4.214,32 5.074,33 5.308,34 4.285,35 4.195,36 6.231,37 4.181,38 4.956,39 5.142,40 4.296,41 4.24,42 6.046,43 4.226,44 5.069,45 5.258,46 4.319,47 4.397,48 6.079,49 4.34,50 5.272,51 5.484,52 4.282,53 4.515,54 6.207,55 4.39,56 0.141,57 1.048,58 12.957,59 5.186,60 14.61,61 6.884,62 0.695,63 1.672,64 26.709,65 8.999,66 49.898,67 11.956,68 0.853,69 1.997,70 37.924,71 11.176,72 63.935,73 16.249,74 0.873,75 1.961,76 40.099,77 11.116,78 77.853,79 16.928,80 1.015,81 1.808,82 36.585,83 8.86,84 96.417,85 13.778,86 0.61,87 1.8,88 28.597,89 8.886,90 49.104,91 12.567,92 0.731,93 1.981,94 31.755,95 11.342,96 45.12,97 15.862,98 0.537,99 2.178,100 40.707,101 17.591,102 63.073,103 24.064,104 5,105 59,106 0.265,107 0.605,108 0.759,109 0.826,110 0.846,111 0.85,112 3.642,113 0.882,114 -3.08,115 -3.07,116 -2.96,119 38.5,121 1,125 6,127 3,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 4,174 7,175 5,178 2,179 1,180 5,183 5,186 2,187 5,190 1,192 2,195 2,198 3,199 13,202 2,204 5,211 4,212 8,215 2,217 2,223 1,224 9,227 3,229 1,232 5,236 4,237 2,240 2,242 1,245 6,249 2,250 6,253 5,255 2,258 4,263 7,268 2,275 2876,276 25.601,277 25.601,278 25.601,279 25.601,280 25.601,281 23.388,282 36.183,283 15.263,284 26.456,285 20.824,286 20.824,287 20.824,288 20.824,289 20.824,290 17.452,291 58.185,292 7.345,293 22.224,294 4.349,295 2.2,296 1.223,297 0.8,298 0.677,299 0.646,300 4.362,306 1143,307 3.24,310 89.039,311 619.055,312 121.858,318 2.159,319 42.454,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 82,331 508,332 4.446,333 3.562,334 6.929,335 4.215,336 3.284,337 4.058,338 1.656,339 11.691,340 3.058,341 4.201,342 3.533,343 6.295,344 3.912,345 2.971,346 3.62,347 0.86,348 9.616,349 2.818,350 4.027,351 3.15,352 6.022,353 3.695,354 2.747,355 3.473,356 0.86,357 8.657,358 2.59,359 3.941,360 2.838,361 5.653,362 3.592,363 2.636,364 3.242,365 0.8,366 7.642,367 2.507,368 3.734,369 2.579,370 5.566,371 3.38,372 2.424,373 3.043,374 0.8,375 7.28,376 2.315,377 3.494,378 2.524,379 5.325,380 3.2,381 2.264,382 2.683,383 0.247,384 6.909,385 2.108,386 3.359,387 2.386,388 5.196,389 2.964,390 2,391 2.57,393 6.153,394 1.927,395 3.029,396 2.286,397 4.692,398 2.895,399 1.919,400 2.081,402 5.11,403 1.858,404 2.919,405 2.246,406 4.586,407 2.671,408 1.767,409 1.99,411 4.672,412 1.593,413 2.853,414 1.961,415 4.332,416 2.432,417 1.534,418 1.953,420 3.931,421 1.367,422 2.741,423 1.677,424 4.196,425 2.344,426 1.422,427 1.816,428 3.683,429 1.307,430 2.541,431 1.519,432 3.761,433 2.268,434 1.339,435 1.541,436 2.987,437 1.235,438 2.5,439 1.315,440 3.569,441 2,442 1.081,443 1.5,445 2.784,446 1,447 2.5,448 1.276,449 3.489,450 1.984,451 1,452 1.5,454 2.555,455 0.983,456 2.223,457 1.256,458 3.414,459 1.962,460 1,461 1.205,463 2.275,464 0.947,465 17.033,466 0.46,467 0.794,468 0.021,469 48.5,470 1.311,471 21.5,472 0.581,473 27,474 0.73,475 32.878,476 0.889,477 40.567,478 0.624,479 39.501,480 1.068,481 9.464,482 0.256,483 8.672,484 0.234,485 0.039,487 0.341,493 0.917,494 1.606,495 0.743,496 1.222,497 0.75,498 0.984,499 1.053,500 1.034,501 0.948,502 0.986,503 0.74,504 0.961,505 1.111,506 1.163,507 1.037,508 1.007,509 1.02,510 1.003,511 0.935,512 1.115,513 0.949,514 0.995,515 0.947,516 0.967,517 1.118,518 0.894,519 0.94,520 0.674,521 1.31,522 0.73,523 1.05,524 1.124,525 1.044,526 0.999,527 1.068,528 0.996,529 0.732,530 0.943,531 1.12,532 1.065,533 0.575,534 1.137,535 0.43,536 1.141,537 1.03,538 1.509,539 0.444,540 1.435,541 6.5,542 0.169,543 3.333,544 2.444,545 1.424,546 1.375,547 0.953,548 0.495,549 0.353,550 0.341,551 23143,552 63027,553 2.197,554 43.1,556 21,558 2,559 3,562 2,564 1.782,565 2.114,566 3.656,567 0.863,573 108.752,574 1.673,575 3.822,576 4.799,577 5.222,578 5.345,579 5.376,580 3.04,581 4.831,582 5.176,583 3.912,584 2605.5,585 9.12,586 42810.7,591 391.454,592 1.181,593 5.165,594 0.155,595 0.006,596 0.056,597 0.041,598 0.026,599 0.024,600 0.016,601 0.008,602 0.007,603 0.009,604 0.347,605 0.33,606 0.63,607 0.368,608 203.995,609 -0.103,610 -0.35,611 0.062,612 -0.128,613 -0.068,614 -0.018,616 0.113,617 -0.04,618 0.014,619 0.024,620 -0.031,621 -0.12,622 -0.121,623 -0.077,624 -0.028,625 -0.1,626 -0.042,627 -0.012,628 -0.114,629 0.041,630 -0.049,631 0.013,633 -0.056,634 0.149,635 0.062,636 0.227,637 -0.047,638 0.188,639 -0.155,640 0.044,641 -0.146,642 -0.019,643 -0.11,644 -0.065,645 -0.001,646 0.213,647 -0.25,648 -0.028,649 -0.019,650 -0.156,651 0.174,652 -0.15,653 -0.136,654 -0.381,655 0.133,656 -0.343,657 2.016,658 5.343,659 0.865,660 45.87,661 1.015,662 1.138,663 1.847,664 3.412,665 0.654,666 3.761,667 4.094,668 4.394,669 4.71,670 4.97,671 5.069,672 5.268,673 5.447,674 5.613,675 5.771,676 8.173,677 0.635,678 504.61,679 3.761,680 5.313,681 6.176,682 7.064,683 7.943,684 8.839,685 9.728,686 10.63,687 11.526,688 12.431,689 12.3,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 65,733 19,734 1,735 42,737 70,738 25,739 14,740 2,741 4,746 6,747 7,751 1,755 4,758 4,761 15,762 10,766 1,771 1,775 1,781 28,782 12,783 3,784 12,790 8,794 0.833,795 4,797 1,805 1,808 1,811 1,812 5,813 1,838 1,839 2,840 5,848 37,853 1,854 7,855 2,856 2,858 3,859 2,870 6.2,871 1,873 1,874 2,877 17.5,878 11.317,879 8,880 3.843,881 3.14,882 1.364,883 0.971,884 6.958,885 11.758,886 3.97,887 4.505,888 5.022,889 5.585,890 6.122,891 6.357,892 6.808,893 7.214,894 7.549,895 7.923,896 0.889,897 60,898 13.744,900 6.022,901 7.748,902 26.236,904 22.124,905 2.248,906 83.167,910 294.278,911 119.169,912 109.412,914 89.828,917 119.169,918 384.106,919 109.412,921 61.137,922 99.541,923 137.829,924 35.37,925 8.074,926 270.735,928 294.278,929 228.581,930 89.828,933 273.063,934 48.687,935 64.683,937 83.03,938 76.081,939 67.142,941 294.278,942 199.24,943 119.169,946 294.278,947 44.216,948 81.201,949 36.022,950 156.97,951 294.278,952 199.24,953 119.169,955 0.58,956 0.339,957 0.193,958 0.107,959 30,960 12,961 0.071,962 5,963 2,964 1.094,965 4.815,966 373.754,967 0.125,968 31,969 180.75,974 24.16,975 10.656,976 5.277,978 199.24,979 14.006,980 18.357,984 3.731,986 78.705,987 612.687,988 52,993 12.343,997 -0.35,999 65.96,1000 73.976,1001 0.278,1002 0.635,1003 0.797,1004 0.867,1005 0.888,1006 0.893,1007 5.228,1008 1.919,1009 6.151,1010 6.153,1011 4.779,1012 5.193,1013 2.368,1014 6.965,1015 4.655,1016 6.391,1017 1.767,1018 7.702,1019 5.11,1020 4.29,1021 4.82,1022 1.404,1023 7.842,1024 4.12,1025 7.674,1026 1.534,1027 9.354,1028 4.672,1029 6.368,1030 7.24,1031 2.66,1032 10.982,1033 6.125,1034 8.985,1035 1.422,1036 11.068,1037 3.931,1038 6.723,1039 7.663,1040 2.382,1041 12.744,1042 6.426,1043 10.329,1044 1.339,1045 12.822,1046 3.683,1047 8.247,1048 9.573,1049 3.324,1050 15.393,1051 7.882,1052 11.696,1053 1.081,1054 14.607,1055 2.987,1056 9.012,1057 10.388,1058 3.421,1059 17.543,1060 8.583,1061 13.08,1062 1,1063 16.414,1064 2.784,1065 10.305,1066 12.06,1067 4.179,1068 20.036,1069 9.809,1070 3.284,1071 1,1072 18.239,1073 2.555,1074 11.274,1075 13.096,1076 4.467,1077 22.355,1078 10.708,1079 2.971,1080 11.691,1081 20.079,1082 2.275,1083 12.473,1084 14.64,1085 5.118,1086 24.804,1087 11.84,1088 2.747,1089 9.616,1090 21.931,1091 4.058,1092 13.542,1093 15.809,1094 5.504,1095 27.196,1096 12.836,1097 2.636,1098 8.657,1099 23.793,1100 3.62,1101 14.709,1102 17.281,1103 6.093,1104 29.638,1105 13.934,1106 2.424,1107 7.642,1108 25.664,1109 3.473,1110 15.826,1111 18.533,1112 6.531,1113 32.062,1114 14.977,1115 2.264,1116 7.28,1117 27.543,1118 3.242,1119 16.986,1120 19.965,1121 7.084,1122 34.507,1123 16.065,1124 2,1125 6.909,1126 29.429,1127 3.043,1128 18.128,1129 21.269,1130 7.551,1131 36.946,1132 17.134,1133 21102,1134 34972,1135 29.126,1136 42.478,1137 63.439,1138 64.45,1139 63.731,1140 62.957,1141 62.945,1142 76.993,1143 10.446,1144 180.872,1145 59.005,1146 5.446,1147 5.562,1148 6.731,1149 5.319,1150 5.284,1151 7.058,1152 2.912,1153 18.885,1154 5.058,1155 11.764,1156 1.51,1157 1.535,1158 1.517,1159 1.499,1160 1.499,1161 1.833,1162 0.249,1163 4.306,1164 1.405,1165 4.041,1166 4.089,1167 3.995,1168 3.901,1169 7.431,1170 3.914,1171 3.914,1172 3.954,1173 3.845,1174 3.775,1175 6.449,1176 3.785,1177 3.862,1178 3.907,1179 3.802,1180 3.741,1181 5.077,1182 3.751,1183 3.792,1184 3.846,1185 3.706,1186 3.579,1187 4.908,1188 3.604,1189 3.578,1190 3.633,1191 3.506,1192 3.347,1193 4.701,1194 3.382,1195 3.378,1196 3.425,1197 3.328,1198 3.078,1199 4.617,1200 3.138,1201 3.18,1202 3.222,1203 3.024,1204 2.952,1205 4.592,1206 2.933,1207 3.111,1208 3.206,1209 2.901,1210 2.941,1211 4.096,1212 2.91,1213 0.106,1214 0.085,1215 0.165,1216 0.1,1217 0.078,1218 4.446,1219 0.097,1220 3.562,1221 0.039,1222 6.929,1223 0.278,1224 4.215,1225 0.073,1226 3.284,1227 4.058,1228 1.656,1229 11.691,1230 3.058,1231 1.93,1232 1.9,1233 2.019,1234 2.075,1235 1.22,1236 2.052,1237 1.821,1238 1.78,1239 1.934,1240 1.991,1241 1.201,1242 1.975,1243 1.747,1244 1.692,1245 1.919,1246 1.94,1247 1.178,1248 1.939,1249 1.661,1250 1.608,1251 1.853,1252 1.903,1253 1.099,1254 1.89,1255 1.588,1256 1.541,1257 1.809,1258 1.769,1259 0.948,1260 1.783,1261 1.439,1262 1.387,1263 1.532,1264 1.7,1265 0.825,1266 1.66,1267 1.215,1268 1.167,1269 1.513,1270 1.537,1271 0.513,1272 1.486,1273 1.153,1274 1.064,1275 1.34,1276 1.376,1277 0.47,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.298,1284 4.949,1285 8.912,1286 7.168,1287 10.573,1294 10.569,1295 4.199,1296 5.591,1297 11.187,1299 -0.646,1300 4.18,1305 41.298,1306 108.752,1307 248.457,1308 311.944,1309 339.454,1310 347.454,1311 349.454,1312 62.48,1313 8.618,1314 137.86,1315 137.86,1316 35,1317 12.952,1318 4.322,1319 3.459,1320 51.019,1321 176,1322 215,1323 0.135,1324 247.284,1325 430.96,1326 595.133,1327 73495,1329 25.192,1330 0.681,1331 0.545,1332 25.192,1333 20.156,1334 18.136,1335 0.432,1336 0.294,1337 12.094,1338 17.155,1339 11.965,1340 9.745,1341 18.136,1342 12.353,1343 16.392,1344 0.278,1345 0.156,1346 16.392,1347 9.22,1348 13.988,1349 0.175,1350 0.085,1351 13.988,1352 6.783,1353 12.373,1354 0.112,1355 0.045,1356 12.373,1357 4.916,1358 10.326,1359 0.072,1360 0.023,1361 10.326,1362 3.324,1363 0.214,1364 115.588,1365 0.185,1366 33.828,1367 0.366,1368 202,1369 623.893,1370 229.781,1371 586.833,1372 804.86,1373 554,1374 240,1375 590.59,1376 268.396,1377 589.539,1378 873.05,1379 556,1380 8.398}
{0 CHEMBL1258804,1 1.611,2 10.621,3 2.861,4 8.187,5 108.623,6 7.928,7 0.688,8 4.011,9 4.133,10 3.635,11 3.525,12 5.195,13 3.532,14 4.498,15 4.67,16 3.982,17 3.88,18 5.657,19 3.879,20 4.642,21 4.815,22 4.049,23 3.983,24 5.826,25 3.97,26 4.726,27 4.923,28 3.998,29 3.979,30 5.893,31 3.945,32 4.69,33 4.897,34 3.961,35 3.985,36 5.756,37 3.94,38 4.721,39 4.929,40 4.002,41 4.014,42 5.863,43 3.969,44 4.739,45 4.958,46 3.956,47 4.002,48 5.777,49 3.947,50 4.699,51 4.916,52 3.875,53 3.926,54 5.807,55 3.86,56 0.08,57 0.777,58 8.906,59 3.917,60 7.493,61 4.94,62 0.334,63 1.186,64 17.221,65 6.164,66 24.819,67 8.04,68 0.256,69 1.351,70 19.645,71 7.162,72 29.717,73 9.402,74 0.509,75 1.419,76 22.928,77 7.584,78 50.886,79 9.982,80 0.283,81 1.368,82 22.193,83 7.837,84 31.194,85 10.779,86 0.478,87 1.434,88 22.736,89 7.587,90 46.184,91 10.553,92 0.274,93 1.415,94 23.642,95 8.268,96 28.877,97 11.575,98 0.559,99 1.313,100 23.153,101 7.877,102 39.749,103 10.901,104 22,105 45,106 0.268,107 0.633,108 0.772,109 0.874,110 0.887,111 0.887,112 3.409,113 0.846,114 -4.66,115 -4.58,116 -4.3,119 42.9,124 3,142 8,143 3,144 2,145 1,147 1,149 1,158 1,161 1,166 1,172 8,174 2,175 9,178 2,180 4,183 9,186 1,187 7,192 3,195 4,198 2,199 10,202 4,204 4,207 3,212 7,217 3,220 3,223 3,224 12,227 2,229 2,232 5,237 6,242 1,245 6,249 4,250 6,253 2,254 1,255 1,258 7,262 1,263 2,266 1,271 6,275 1337,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 17.192,282 21.32,283 11.53,284 20.32,285 15.669,286 15.669,287 15.669,288 15.669,289 15.669,290 11.499,291 29.548,292 5.319,293 16.311,294 4.004,295 1.818,296 0.985,297 0.373,298 0.291,299 0.291,300 4.105,303 1,304 1,305 1,306 661,307 3.24,310 64.524,311 245.095,314 114.408,318 1.608,319 24.885,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 308,332 4.648,333 3.554,334 6.725,335 4.16,336 3.207,337 4.613,338 1.058,339 10.96,340 3.058,341 4.261,342 3.25,343 6.198,344 3.881,345 2.884,346 3.888,347 0.86,348 9.229,349 2.871,350 4.077,351 2.918,352 5.907,353 3.656,354 2.698,355 3.678,356 0.4,357 8.164,358 2.585,359 3.904,360 2.747,361 5.738,362 3.541,363 2.559,364 3.328,366 7.959,367 2.508,368 3.673,369 2.567,370 5.494,371 3.255,372 2.321,373 3.079,375 7.122,376 2.161,377 3.3,378 2.163,379 4.944,380 2.898,381 1.953,382 2.56,384 5.685,385 1.837,386 3.189,387 2,388 4.547,389 2.692,390 1.717,391 2.457,393 4.593,394 1.667,395 2.784,396 1.455,397 4.347,398 2.292,399 1.341,400 1.898,402 3.777,403 1.272,404 2.712,405 1.407,406 4.039,407 2.247,408 1.276,409 1.794,411 3.283,412 1.234,413 2.651,414 1.273,415 3.737,416 2.167,417 1.19,418 1.71,420 2.669,421 1.159,422 2.565,423 1.152,424 3.492,425 2.088,426 1.098,427 1.565,428 2.509,429 1.085,430 2.344,431 1.086,432 3.462,433 1.837,434 0.895,435 1.277,436 2.312,437 0.841,438 1.584,439 0.938,440 2.962,441 1.294,442 0.43,443 0.482,445 0.627,446 0.368,447 1.471,448 0.924,449 2.696,450 1.177,451 0.188,452 0.223,454 0.249,455 0.183,456 1.345,457 0.174,458 2.647,459 0.959,460 0.03,461 0.038,463 0.083,464 0.028,465 13.567,466 0.468,467 0.674,468 0.023,469 42,470 1.448,471 22.5,472 0.776,473 19.5,474 0.672,475 20.303,476 0.7,477 30.233,478 0.617,479 33.436,480 1.153,481 8.65,482 0.298,483 5.434,484 0.187,485 0.135,487 0.361,493 0.812,494 1.329,495 0.725,496 1.075,497 0.657,498 0.912,499 1.003,500 0.962,501 0.766,502 0.781,503 0.677,504 0.738,505 1.093,506 1.307,507 0.913,508 1.084,509 0.961,510 0.985,511 1.192,512 0.99,513 1.098,514 0.972,515 1.525,516 1.012,517 0.947,518 1.18,519 0.911,520 0.999,521 0.824,522 0.952,523 0.824,524 0.964,525 0.993,526 0.911,527 0.7,528 0.954,529 0.857,530 1.157,531 0.928,532 1.055,533 0.663,534 0.999,535 0.79,536 0.865,537 1.047,538 0.994,539 0.826,540 1.048,541 6,542 0.103,543 3.333,544 1.819,545 1.529,546 1.128,547 0.669,548 0.478,549 0.433,550 0.283,551 10063,552 28518,553 2.09,554 40.8,556 17,558 1,559 2,564 1.725,565 1.955,566 3.387,567 0.262,568 1,569 1,573 78.934,574 1.611,575 3.797,576 4.63,577 5.242,578 5.324,579 5.324,580 2.862,581 4.72,582 4.828,583 3.515,584 1427.21,585 8.442,586 18985.2,588 1,590 1,591 275.121,592 1.416,593 4.788,594 0.188,595 0.005,596 0.074,597 0.039,598 0.036,599 0.026,600 0.015,601 0.011,602 0.012,603 0.01,604 0.416,605 0.17,606 1,607 0.995,608 145.667,609 -0.02,610 -0.16,611 0.057,612 -0.08,613 -0.082,614 -0.013,615 0.013,616 0.139,617 0.13,618 0.179,619 0.052,620 0.172,621 -0.115,622 -0.229,623 -0.02,624 -0.116,625 -0.007,626 -0.064,627 -0.067,628 0.075,629 -0.151,630 -0.04,631 -0.208,632 -0.105,633 -0.106,634 -0.156,635 0.021,636 -0.017,637 -0.038,638 0.018,639 0.05,640 0.114,641 -0.065,642 0.032,643 0.082,644 -0.022,645 -0.068,646 -0.142,647 0.015,648 -0.076,649 -0.009,650 -0.019,651 0.196,652 0.15,653 -0.082,654 -0.032,655 0.013,656 -0.092,657 1.83,658 5,659 0.724,660 26.521,661 1.009,662 1.129,663 3.427,664 11.742,665 0.679,666 3.497,667 3.829,668 4.127,669 4.394,670 4.644,671 4.771,672 4.963,673 5.124,674 5.242,675 5.338,676 6.304,677 0.658,678 388.47,679 3.497,680 5.043,681 5.905,682 6.79,683 7.671,684 8.563,685 9.452,686 10.349,687 11.243,688 12.143,689 12.2,696 1,697 2,699 3,703 2,704 9,705 3,709 6,710 1,711 22,718 1,724 1,729 1,731 49,733 23,734 2,735 32,737 52,738 21,739 17,740 4,741 8,742 1,746 4,747 5,761 18,762 3,766 1,771 1,775 1,778 1,781 20,782 7,783 2,784 8,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,840 3,844 3,848 29,855 2,856 1,870 4.1,873 1,875 1,877 14.833,878 9.883,879 6.472,880 2.689,881 4.116,882 1.53,883 1.002,884 5.255,885 11.882,886 3.807,887 4.457,888 5.105,889 5.727,890 6.302,891 6.68,892 7.192,893 7.678,894 8.075,895 8.493,896 1,897 47,898 10.643,900 4.464,901 7.759,902 20.073,904 15.984,905 2.259,906 65.5,909 1,910 211.88,911 140.553,912 88.032,914 36.145,917 140.553,918 248.025,919 88.032,920 27.676,921 18.011,922 75.81,923 93.57,924 59.107,925 2.328,926 200.109,928 211.88,929 228.585,930 36.145,933 214.208,934 36.145,937 48.561,938 127.463,939 50.234,941 211.88,942 124.177,943 140.553,946 211.88,947 28.02,948 114.31,949 36.022,950 86.379,951 211.88,952 124.177,953 140.553,955 0.579,956 0.35,957 0.185,958 0.101,959 22,960 10,961 0.096,962 5,963 1,964 1.095,965 3.967,966 262.811,967 0.095,968 21,969 140.881,974 19.062,975 7.995,976 3.833,977 1.479,978 122.4,979 16.52,980 13.685,984 3.973,985 1.694,986 36.022,987 476.61,988 44,993 12,997 -0.164,999 49.451,1000 55.315,1001 0.287,1002 0.676,1003 0.825,1004 0.934,1005 0.948,1006 0.948,1007 5.034,1008 1.341,1009 5.894,1010 4.593,1011 4.511,1012 5.145,1013 1.617,1014 6.718,1015 4.436,1016 6.262,1017 1.276,1018 7.462,1019 3.777,1020 4.111,1021 4.997,1023 7.627,1024 4.01,1025 7.583,1026 1.19,1027 9.127,1028 3.283,1029 6.12,1030 7.421,1031 1.538,1032 10.727,1033 5.978,1034 8.942,1035 1.098,1036 10.848,1037 2.669,1038 6.538,1039 8.11,1041 12.45,1042 6.365,1043 10.332,1044 0.895,1045 12.604,1046 2.509,1047 8.009,1048 9.996,1049 1.532,1050 15.064,1051 7.801,1052 11.744,1053 0.43,1054 14.385,1055 2.312,1056 8.8,1057 11.091,1059 17.139,1060 8.557,1061 13.174,1062 0.188,1063 16.184,1064 0.627,1065 10.057,1066 12.753,1067 1.557,1068 19.587,1069 9.781,1070 3.207,1071 0.03,1072 17.997,1073 0.249,1074 11.027,1075 14.057,1077 21.824,1078 10.711,1079 2.884,1080 10.96,1081 19.821,1082 0.083,1083 12.2,1084 15.624,1085 1.603,1086 24.217,1087 11.848,1088 2.698,1089 9.229,1090 21.654,1091 4.613,1092 13.255,1093 17.034,1095 26.529,1096 12.86,1097 2.559,1098 8.164,1099 23.494,1100 3.888,1101 14.399,1102 18.565,1103 1.663,1104 28.909,1105 13.965,1106 2.321,1107 7.959,1108 25.342,1109 3.678,1110 15.497,1111 20.029,1113 31.258,1114 15.017,1115 1.953,1116 7.122,1117 27.195,1118 3.328,1119 16.634,1120 21.548,1121 1.734,1122 33.637,1123 16.112,1124 1.717,1125 5.685,1126 29.053,1127 3.079,1128 17.755,1129 23.04,1131 36.005,1132 17.185,1133 9717,1134 16498,1135 21.383,1136 33.273,1137 47.826,1138 49.509,1139 50.056,1140 47.51,1141 47.576,1142 65.181,1143 4.637,1144 138.442,1145 45.714,1146 5.428,1147 5.554,1148 6.318,1149 5.239,1150 5.207,1151 7.613,1152 2.117,1153 18.135,1154 5.058,1155 14.323,1156 1.495,1157 1.547,1158 1.564,1159 1.485,1160 1.487,1161 2.037,1162 0.145,1163 4.326,1164 1.429,1165 4.119,1166 4.168,1167 4.099,1168 3.975,1169 7.429,1170 3.997,1171 3.904,1172 3.93,1173 3.854,1174 3.827,1175 5.15,1176 3.83,1177 3.884,1178 3.915,1179 3.83,1180 3.776,1181 4.868,1182 3.787,1183 3.486,1184 3.559,1185 3.404,1186 3.233,1187 4.725,1188 3.264,1189 3.355,1190 3.439,1191 3.258,1192 3.09,1193 4.508,1194 3.118,1195 3.243,1196 3.311,1197 3.082,1198 2.974,1199 4.38,1200 2.988,1201 3.073,1202 3.139,1203 2.957,1204 2.907,1205 4.176,1206 2.907,1207 2.965,1208 3.058,1209 2.784,1210 2.786,1211 4.052,1212 2.772,1213 0.145,1214 0.111,1215 0.21,1216 0.13,1217 0.1,1218 4.648,1219 0.144,1220 3.554,1221 0.033,1222 6.725,1223 0.343,1224 4.16,1225 0.096,1226 3.207,1227 4.613,1228 1.058,1229 10.96,1230 3.058,1231 1.961,1232 1.935,1233 2.036,1234 2.082,1235 1.134,1236 2.065,1237 1.882,1238 1.858,1239 1.987,1240 1.986,1241 1.07,1242 1.987,1243 1.738,1244 1.707,1245 1.813,1246 1.895,1247 0.931,1248 1.875,1249 1.437,1250 1.345,1251 1.68,1252 1.737,1253 0.69,1254 1.714,1255 1.385,1256 1.31,1257 1.656,1258 1.669,1259 0.679,1260 1.673,1261 1.198,1262 1.126,1263 1.569,1264 1.512,1265 0.573,1266 1.53,1267 1.052,1268 0.996,1269 1.232,1270 1.248,1271 0.29,1272 1.253,1273 0.956,1274 0.891,1275 1.195,1276 1.196,1277 0.235,1278 1.196,1279 4.174,1281 5.501,1282 2.398,1283 7.027,1284 4.727,1285 8.641,1286 6.823,1287 10.303,1289 5.055,1296 5.961,1297 5.296,1305 32.246,1306 78.934,1307 186.062,1308 226.856,1309 256.856,1310 260.856,1311 260.856,1312 42.355,1313 7.766,1314 93.96,1315 93.96,1316 23,1317 12.666,1318 4.585,1319 3.7,1320 44.426,1321 109,1322 114,1323 0.201,1324 199.193,1325 333.36,1326 477.791,1327 24574,1329 20.38,1330 0.703,1331 0.562,1332 20.38,1333 16.302,1334 14.084,1335 0.44,1336 0.282,1337 8.85,1338 13.425,1339 8.566,1340 7.188,1341 14.084,1342 9.021,1343 12.489,1344 0.278,1345 0.143,1346 12.489,1347 6.418,1348 10.998,1349 0.18,1350 0.074,1351 10.998,1352 4.535,1353 8.924,1354 0.112,1355 0.038,1356 8.924,1357 3.028,1358 7.338,1359 0.071,1360 0.019,1361 7.338,1362 2.003,1363 0.309,1364 89.093,1365 0.216,1366 27.15,1367 0.569,1368 154,1369 474.717,1370 170.611,1371 459.791,1372 638.58,1373 432,1374 183,1375 482.94,1376 200.612,1377 490.503,1378 715.56,1379 459,1380 5.439}
{0 CHEMBL1258805,1 1.611,2 10.655,3 2.774,4 7.693,5 108.228,6 7.928,7 0.688,8 4.011,9 4.133,10 3.635,11 3.525,12 5.194,13 3.532,14 4.496,15 4.666,16 3.988,17 3.873,18 5.668,19 3.873,20 4.652,21 4.829,22 4.012,23 3.969,24 5.814,25 3.953,26 4.708,27 4.92,28 3.988,29 3.979,30 5.81,31 3.935,32 4.693,33 4.898,34 3.964,35 3.991,36 5.781,37 3.945,38 4.718,39 4.925,40 3.993,41 4.012,42 5.814,43 3.972,44 4.745,45 4.962,46 3.97,47 3.999,48 5.849,49 3.942,50 4.697,51 4.92,52 3.843,53 3.913,54 5.763,55 3.847,56 0.08,57 0.777,58 8.906,59 3.917,60 7.374,61 4.94,62 0.308,63 1.187,64 17.047,65 6.231,66 24.57,67 8.161,68 0.35,69 1.364,70 20.225,71 6.745,72 39.098,73 8.756,74 0.415,75 1.416,76 22.555,77 7.774,78 34.381,79 10.745,80 0.34,81 1.37,82 22.304,83 7.958,84 36.027,85 10.763,86 0.358,87 1.429,88 22.552,89 7.484,90 34.269,91 10.368,92 0.403,93 1.422,94 23.842,95 8.343,96 43.483,97 11.639,98 0.477,99 1.318,100 23.213,101 7.625,102 36.561,103 10.616,104 22,105 45,106 0.268,107 0.633,108 0.778,109 0.867,110 0.88,111 0.887,112 3.409,113 0.846,114 -4.66,115 -4.58,116 -4.3,119 42.9,120 1,124 2,142 8,143 2,144 3,145 1,147 1,149 1,158 1,161 1,166 1,172 6,174 2,175 9,178 2,180 6,183 7,186 1,187 5,192 3,195 3,198 2,199 8,202 4,204 3,207 5,212 8,215 2,217 2,220 5,223 1,224 12,229 1,232 5,236 2,237 7,240 1,241 1,242 2,245 6,249 3,250 5,253 1,258 5,262 1,263 4,266 1,268 3,271 6,275 1356,276 19.627,277 19.627,278 19.627,279 19.627,280 19.627,281 16.861,282 23.802,283 11.538,284 20.069,285 15.781,286 15.781,287 15.781,288 15.781,289 15.781,290 11.544,291 36.115,292 5.454,293 16.443,294 4.004,295 1.818,296 0.944,297 0.414,298 0.332,299 0.291,300 4.105,303 1,304 1,305 1,306 663,307 3.24,310 64.658,311 245.673,314 114.686,318 1.643,319 24.034,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 309,332 4.648,333 3.533,334 6.725,335 4.158,336 3.206,337 4.612,338 1.907,339 10.959,340 3.053,341 4.193,342 3.252,343 6.131,344 3.794,345 2.816,346 3.821,347 0.86,348 9.045,349 2.754,350 4.077,351 2.919,352 5.739,353 3.656,354 2.698,355 3.678,356 0.4,357 7.963,358 2.584,359 3.778,360 2.811,361 5.496,362 3.411,363 2.445,364 3.201,365 0.149,366 7.179,367 2.361,368 3.659,369 2.57,370 5.399,371 3.253,372 2.316,373 3.027,375 7.051,376 2.162,377 3.377,378 2.349,379 4.944,380 2.949,381 1.966,382 2.604,384 5.685,385 1.94,386 3.293,387 2.135,388 4.552,389 2.885,390 1.911,391 2.552,393 4.791,394 1.831,395 2.925,396 1.535,397 4.356,398 2.418,399 1.452,400 2.101,402 3.967,403 1.398,404 2.743,405 1.446,406 4.26,407 2.281,408 1.326,409 1.843,411 3.776,412 1.263,413 2.68,414 1.28,415 3.759,416 2.189,417 1.211,418 1.762,420 2.723,421 1.181,422 2.615,423 1.174,424 3.493,425 2.128,426 1.144,427 1.668,428 2.595,429 1.124,430 2.345,431 0.938,432 3.47,433 1.839,434 0.896,435 1.279,436 2.313,437 0.842,438 1.584,439 0.924,440 2.962,441 1.294,442 0.43,443 0.482,445 0.627,446 0.368,447 1.345,448 0.601,449 2.697,450 0.959,451 0.03,452 0.038,454 0.083,455 0.028,456 1.185,457 0.174,458 2.653,459 0.826,460 -0.151,461 -0.184,463 -0.386,464 -0.147,465 13.567,466 0.468,467 0.729,468 0.025,469 42.5,470 1.466,471 23,472 0.793,473 19.5,474 0.672,475 20.396,476 0.703,477 30.233,478 0.617,479 33.088,480 1.141,481 8.655,482 0.298,483 5.374,484 0.185,485 0.135,487 0.361,493 0.812,494 1.329,495 0.725,496 1.075,497 0.662,498 0.912,499 0.95,500 1.084,501 0.743,502 0.868,503 0.62,504 0.788,505 1.351,506 1.238,507 1.078,508 0.998,509 1.328,510 0.986,511 0.783,512 1.002,513 0.94,514 0.989,515 0.667,516 0.983,517 0.971,518 1.061,519 0.939,520 0.968,521 0.974,522 0.951,523 0.981,524 1.094,525 1.004,526 0.954,527 0.84,528 0.958,529 0.77,530 1.071,531 0.94,532 1.039,533 0.675,534 1.017,535 0.929,536 0.942,537 1.086,538 0.998,539 0.766,540 1.044,541 6.5,542 0.139,543 2.667,544 1.944,545 1.569,546 0.983,547 0.79,548 0.431,549 0.389,550 0.285,551 10175,552 29058,553 2.09,554 40.8,556 14,558 1,559 2,560 3,564 1.725,565 1.955,566 3.392,567 0.262,568 1,569 1,573 78.934,574 1.611,575 3.797,576 4.671,577 5.201,578 5.283,579 5.324,580 2.879,581 4.651,582 4.826,583 3.539,584 1436.92,585 8.439,586 19181.5,588 1,590 1,591 275.121,592 1.416,593 4.788,594 0.203,595 0.007,596 0.059,597 0.043,598 0.036,599 0.023,600 0.018,601 0.01,602 0.011,603 0.01,604 0.421,605 0.17,606 1,607 0.995,608 145.952,609 -0.02,610 -0.16,611 0.057,612 -0.08,613 -0.088,614 -0.013,615 0.053,616 0.011,617 0.15,618 0.097,619 0.106,620 0.126,621 -0.258,622 -0.14,623 -0.17,624 -0.062,625 -0.229,626 -0.096,627 0.082,628 0.059,629 -0.004,630 -0.04,631 0.028,632 -0.041,633 -0.079,634 -0.035,635 -0.006,636 0.013,637 -0.062,638 0.013,639 -0.122,640 -0.022,641 -0.08,642 -0.005,643 -0.064,644 -0.022,645 0.082,646 -0.052,647 0.008,648 -0.067,649 0.103,650 -0.047,651 0.027,652 0.079,653 -0.118,654 -0.045,655 -0.049,656 -0.091,657 1.8,658 4.381,659 0.724,660 27.199,661 1.009,662 1.129,663 3.427,664 11.742,665 0.679,666 3.497,667 3.829,668 4.094,669 4.394,670 4.635,671 4.762,672 4.956,673 5.118,674 5.226,675 5.318,676 6.382,677 0.658,678 388.47,679 3.497,680 5.043,681 5.894,682 6.781,683 7.653,684 8.547,685 9.429,686 10.328,687 11.217,688 12.118,689 12.2,696 1,697 2,699 3,703 2,704 9,705 3,709 6,710 1,711 22,724 1,729 1,731 49,733 23,734 2,735 32,737 52,738 21,739 17,740 4,741 8,746 4,747 5,752 1,761 18,762 3,766 1,771 1,775 1,778 1,781 20,782 7,783 2,784 8,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,826 1,840 3,844 3,848 29,855 2,856 1,870 4.1,873 1,875 1,877 14.833,878 9.883,879 6.361,880 2.689,881 4.116,882 1.53,883 1.002,884 5.255,885 11.882,886 3.807,887 4.457,888 5.068,889 5.718,890 6.285,891 6.66,892 7.172,893 7.666,894 8.043,895 8.451,896 1,897 45,898 10.63,900 4.446,901 7.759,902 20.073,904 15.975,905 2.259,906 65.5,909 1,910 211.88,911 140.553,912 88.032,914 36.145,917 140.553,918 248.025,919 88.032,920 28.105,921 18.011,922 75.81,923 93.57,924 58.678,925 2.328,926 200.109,928 211.88,929 228.585,930 36.145,933 214.208,934 36.145,937 57.386,938 118.637,939 50.234,941 211.88,942 124.177,943 140.553,946 211.88,947 27.591,948 114.739,949 36.022,950 86.379,951 211.88,952 124.177,953 140.553,955 0.58,956 0.331,957 0.184,958 0.102,959 22,960 10,961 0.096,962 5,963 1,964 1.095,965 3.991,966 261.317,967 0.095,968 21,969 140.881,974 19.062,975 7.995,976 4.113,977 1.502,978 122.4,979 16.757,980 13.716,984 4.218,985 1.703,986 36.022,987 476.61,988 44,993 11.381,997 -0.134,999 49.451,1000 55.315,1001 0.287,1002 0.676,1003 0.832,1004 0.926,1005 0.941,1006 0.948,1007 5.034,1008 1.452,1009 5.883,1010 4.791,1011 4.511,1012 5.145,1013 2.18,1014 6.693,1015 4.431,1016 6.262,1017 1.326,1018 7.438,1019 3.967,1020 4.111,1021 4.997,1022 1.593,1023 7.564,1024 3.999,1025 7.579,1026 1.211,1027 9.088,1028 3.776,1029 6.103,1030 7.406,1031 2.965,1032 10.667,1033 5.941,1034 8.931,1035 1.144,1036 10.794,1037 2.723,1038 6.494,1039 8.078,1040 3.032,1041 12.367,1042 6.29,1043 10.313,1044 0.896,1045 12.537,1046 2.595,1047 7.968,1048 9.968,1049 4.052,1050 14.989,1051 7.724,1052 11.717,1053 0.43,1054 14.307,1055 2.313,1056 8.737,1057 11.053,1058 4.409,1059 17.061,1060 8.444,1061 13.139,1062 0.03,1063 16.097,1064 0.627,1065 9.999,1066 12.721,1067 5.254,1068 19.517,1069 9.669,1070 3.206,1071 -0.151,1072 17.903,1073 0.083,1074 10.956,1075 14.021,1076 5.75,1077 21.758,1078 10.573,1079 2.816,1080 10.959,1081 19.722,1082 -0.386,1083 12.133,1084 15.593,1085 6.502,1086 24.159,1087 11.71,1088 2.698,1089 9.045,1090 21.552,1091 4.612,1092 13.183,1093 17.003,1094 7.068,1095 26.478,1096 12.708,1097 2.445,1098 7.963,1099 23.392,1100 3.821,1101 14.33,1102 18.538,1103 7.771,1104 28.864,1105 13.811,1106 2.316,1107 7.179,1108 25.24,1109 3.678,1110 15.427,1111 20.004,1112 8.374,1113 31.219,1114 14.856,1115 1.966,1116 7.051,1117 27.094,1118 3.201,1119 16.567,1120 21.526,1121 9.051,1122 33.603,1123 15.949,1124 1.911,1125 5.685,1126 28.955,1127 3.027,1128 17.689,1129 23.02,1130 9.674,1131 35.976,1132 17.019,1133 9819,1134 16732,1135 21.383,1136 33.273,1137 48.084,1138 48.988,1139 49.446,1140 47.57,1141 47.693,1142 65.337,1143 6.632,1144 137.514,1145 45.78,1146 5.428,1147 5.533,1148 6.318,1149 5.237,1150 5.206,1151 7.612,1152 3.306,1153 18.134,1154 5.053,1155 14.431,1156 1.503,1157 1.531,1158 1.545,1159 1.487,1160 1.49,1161 2.042,1162 0.207,1163 4.297,1164 1.431,1165 4.118,1166 4.168,1167 4.098,1168 3.97,1169 7.43,1170 3.994,1171 3.896,1172 3.927,1173 3.84,1174 3.818,1175 5.151,1176 3.819,1177 3.88,1178 3.915,1179 3.827,1180 3.77,1181 4.868,1182 3.781,1183 3.529,1184 3.577,1185 3.442,1186 3.299,1187 4.755,1188 3.324,1189 3.364,1190 3.443,1191 3.282,1192 3.105,1193 4.523,1194 3.136,1195 3.244,1196 3.311,1197 3.088,1198 2.977,1199 4.385,1200 2.991,1201 3.069,1202 3.136,1203 2.963,1204 2.91,1205 4.062,1206 2.911,1207 2.963,1208 3.058,1209 2.77,1210 2.776,1211 3.961,1212 2.764,1213 0.145,1214 0.11,1215 0.21,1216 0.13,1217 0.1,1218 4.648,1219 0.144,1220 3.533,1221 0.06,1222 6.725,1223 0.342,1224 4.158,1225 0.095,1226 3.206,1227 4.612,1228 1.907,1229 10.959,1230 3.053,1231 1.955,1232 1.925,1233 2.032,1234 2.082,1235 1.126,1236 2.064,1237 1.879,1238 1.854,1239 1.986,1240 1.985,1241 1.068,1242 1.986,1243 1.734,1244 1.7,1245 1.812,1246 1.894,1247 0.93,1248 1.874,1249 1.444,1250 1.393,1251 1.702,1252 1.738,1253 0.717,1254 1.716,1255 1.437,1256 1.344,1257 1.657,1258 1.682,1259 0.687,1260 1.682,1261 1.198,1262 1.127,1263 1.569,1264 1.513,1265 0.573,1266 1.53,1267 1.045,1268 0.992,1269 1.23,1270 1.241,1271 0.284,1272 1.25,1273 0.954,1274 0.885,1275 1.183,1276 1.194,1277 0.228,1278 1.194,1279 4.174,1281 5.501,1282 2.398,1283 7.017,1284 4.727,1285 8.621,1286 6.823,1287 10.277,1289 4.937,1296 6.122,1297 5.298,1305 32.246,1306 78.934,1307 186.062,1308 228.856,1309 254.856,1310 258.856,1311 260.856,1312 40.525,1313 7.766,1314 93.96,1315 93.96,1316 23,1317 12.642,1318 4.585,1319 3.7,1320 44.441,1321 110,1322 114,1323 0.198,1324 199.193,1325 333.36,1326 477.791,1327 24744,1329 20.38,1330 0.703,1331 0.562,1332 20.38,1333 16.302,1334 14.029,1335 0.438,1336 0.282,1337 8.858,1338 13.372,1339 8.565,1340 7.179,1341 14.029,1342 9.021,1343 12.839,1344 0.285,1345 0.145,1346 12.839,1347 6.52,1348 10.422,1349 0.177,1350 0.074,1351 10.422,1352 4.366,1353 9.02,1354 0.113,1355 0.038,1356 9.02,1357 3.023,1358 7.315,1359 0.072,1360 0.019,1361 7.315,1362 1.984,1363 0.306,1364 88.615,1365 0.216,1366 27.217,1367 0.56,1368 154,1369 474.717,1370 171.277,1371 460.19,1372 638.22,1373 432,1374 181,1375 483.785,1376 198.281,1377 490.47,1378 711.66,1379 459,1380 6.413}
{0 CHEMBL1258919,1 1.588,2 9.24,3 2.503,4 6.263,5 92.989,6 8.107,7 0.786,8 3.85,9 3.969,10 3.503,11 3.372,12 5.035,13 3.384,14 4.325,15 4.494,16 3.839,17 3.716,18 5.465,19 3.724,20 4.447,21 4.624,22 3.866,23 3.791,24 5.575,25 3.779,26 4.503,27 4.717,28 3.798,29 3.763,30 5.607,31 3.723,32 4.447,33 4.661,34 3.746,35 3.755,36 5.462,37 3.715,38 4.454,39 4.652,40 3.793,41 3.791,42 5.549,43 3.757,44 4.524,45 4.748,46 3.725,47 3.78,48 5.555,49 3.721,50 4.434,51 4.661,52 3.503,53 3.646,54 5.47,55 3.557,56 0.063,57 0.673,58 7.075,59 3.175,60 6.635,61 3.927,62 0.256,63 1.028,64 13.767,65 4.906,66 18.488,67 6.176,68 0.214,69 1.153,70 15.426,71 5.465,72 20.352,73 7.098,74 0.419,75 1.186,76 17.834,77 5.965,78 31.325,79 8.058,80 0.223,81 1.096,82 17.164,83 5.997,84 20.029,85 8.184,86 0.309,87 1.151,88 16.084,89 5.458,90 22.864,91 7.279,92 0.248,93 1.153,94 18.818,95 6.577,96 24.494,97 9.042,98 0.373,99 0.993,100 17.718,101 6.137,102 29.788,103 8.397,104 6,105 39,106 0.275,107 0.635,108 0.801,109 0.887,110 0.887,111 0.887,112 3.268,113 0.831,114 -4.39,115 -4.32,116 -4.07,119 43.9,124 2,142 6,143 2,144 2,145 3,147 1,149 1,161 1,166 1,172 4,174 2,175 10,178 1,180 3,183 4,186 1,187 4,192 1,195 1,198 4,199 6,202 4,204 2,207 3,212 3,217 1,220 2,223 2,224 11,227 1,229 1,232 4,236 1,237 4,245 3,249 3,250 6,258 4,263 2,271 2,275 925,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 14.731,282 16.962,283 10.262,284 17.803,285 13.797,286 13.797,287 13.797,288 13.797,289 13.797,290 9.911,291 26.356,292 4.837,293 14.518,294 3.77,295 1.684,296 0.726,297 0.232,298 0.232,299 0.232,300 3.968,303 1,304 1,305 1,306 505,307 2.449,310 52.281,311 202.967,314 94.137,318 1.309,319 16.746,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 54,331 231,332 4.646,333 3.25,334 6.725,335 4.156,336 3.204,337 4.612,338 0.86,339 10.956,340 3.049,341 4.111,342 2.918,343 6.096,344 3.707,345 2.734,346 3.706,347 0.4,348 8.881,349 2.659,350 4.077,351 2.741,352 5.739,353 3.655,354 2.697,355 3.677,357 7.962,358 2.583,359 3.687,360 2.566,361 5.494,362 3.26,363 2.328,364 3.121,366 7.125,367 2.164,368 3.329,369 2.153,370 4.944,371 2.903,372 1.96,373 2.694,375 5.686,376 1.84,377 3.276,378 1.82,379 4.541,380 2.761,381 1.815,382 2.552,384 4.672,385 1.714,386 2.783,387 1.45,388 4.345,389 2.288,390 1.339,391 1.912,393 3.776,394 1.268,395 2.708,396 1.3,397 3.821,398 2.22,399 1.259,400 1.796,402 2.982,403 1.207,404 2.644,405 1.229,406 3.499,407 2.152,408 1.18,409 1.709,411 2.635,412 1.143,413 2.5,414 1,415 3.457,416 1.956,417 1,418 1.5,420 2.27,421 0.954,422 2.341,423 0.938,424 3.247,425 1.829,426 0.891,427 1.274,428 2.136,429 0.834,430 1.584,431 0.92,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.345,439 0.174,440 2.689,441 0.959,442 0.03,443 0.038,445 0.083,446 0.028,447 0.995,448 -0.271,449 2.567,450 0.574,451 -0.364,452 -0.472,454 -0.92,455 -0.34,456 0.766,457 -0.393,458 2.523,459 0.295,460 -0.648,461 -0.869,463 -1.506,464 -0.607,465 11.733,466 0.469,467 0.516,468 0.021,469 38.25,470 1.53,471 21,472 0.84,473 17.25,474 0.69,475 15.504,476 0.62,477 25.467,478 0.621,479 27.035,480 1.081,481 7.769,482 0.311,483 4.473,484 0.179,485 0.085,487 0.332,493 0.866,494 1.352,495 0.693,496 1.082,497 0.842,498 0.898,499 1.23,500 1.025,501 0.799,502 0.797,503 0.982,504 0.744,505 1.187,506 1.336,507 0.969,508 1.081,509 1.064,510 1.002,511 0.866,512 0.87,513 1.021,514 0.952,515 1.038,516 0.998,517 1.009,518 1.121,519 0.876,520 0.921,521 0.913,522 0.881,523 1.011,524 0.997,525 1.068,526 0.945,527 0.967,528 0.986,529 0.951,530 1.065,531 0.987,532 1.045,533 0.921,534 1.017,535 0.957,536 0.904,537 1.167,538 1.071,539 1.134,540 1.139,541 4.5,542 0.033,543 2.444,544 1.507,545 1.178,546 0.864,547 0.568,548 0.313,549 0.214,550 0.138,551 6899,552 18915,553 2.154,554 39,556 12,558 3,559 1,564 1.686,565 2.055,566 3.198,567 -0.277,568 1,569 1,571 1,573 65.091,574 1.588,575 3.673,576 4.631,577 5.126,578 5.126,579 5.126,580 2.649,581 4.324,582 4.615,583 3.312,584 993.52,585 8.013,586 11819.3,587 1,588 1,590 1,591 219.66,592 1.26,593 4.592,594 0.161,595 0.004,596 0.063,597 0.039,598 0.034,599 0.025,600 0.016,601 0.009,602 0.009,603 0.009,604 0.367,605 0.17,606 1,607 0.663,608 118.762,609 0.008,610 -0.218,611 0.073,612 -0.122,613 -0.072,614 -0.034,615 -0.077,616 0.059,617 0.088,618 0.136,620 0.134,621 -0.158,622 -0.262,623 -0.083,624 -0.152,625 -0.083,626 -0.115,627 0.164,628 0.189,629 -0.073,630 -0.037,631 0.01,632 -0.091,633 -0.118,634 -0.124,635 0.072,636 0.055,637 -0.011,638 0.088,639 -0.083,640 0.09,641 -0.17,642 -0.024,643 -0.086,644 -0.09,645 -0.067,646 -0.082,647 -0.022,648 -0.071,649 0.015,650 -0.039,651 0.074,652 0.046,653 -0.175,654 -0.087,655 -0.093,656 -0.153,657 1.074,658 1.78,659 0.84,660 19.92,661 1.009,662 1.129,663 3.159,664 9.977,665 0.69,666 3.367,667 3.689,668 3.989,669 4.277,670 4.522,671 4.625,672 4.812,673 4.956,674 5.024,675 5.063,676 5.57,677 0.67,678 332.4,679 3.367,680 4.905,681 5.765,682 6.648,683 7.527,684 8.418,685 9.306,686 10.203,687 11.096,688 11.996,689 14.6,697 2,699 4,703 2,704 9,705 4,709 5,710 1,711 22,724 1,729 1,731 41,733 22,734 1,735 28,737 44,738 18,739 16,740 2,741 4,746 4,747 5,761 16,762 2,777 1,778 1,781 16,782 6,783 1,784 7,790 6,794 0.75,795 1,803 1,805 1,806 1,811 1,812 3,815 1,840 3,844 2,848 25,855 1,856 1,870 2.4,875 1,877 12.167,878 8.167,879 5.528,880 2.239,881 3.926,882 1.529,883 1.018,884 4.041,885 11.343,886 3.689,887 4.347,888 5,889 5.641,890 6.209,891 6.56,892 7.071,893 7.554,894 7.901,895 8.269,896 1,897 39,898 9.14,900 3.818,901 7.647,902 17.384,904 13.875,905 2.147,906 53.667,909 1,910 176.567,911 123.409,912 86.807,914 11,917 123.409,918 187.566,919 86.807,920 19.279,922 56.857,923 104.048,924 74.016,925 2.328,926 141.253,928 176.567,929 210.216,930 11,933 178.894,934 11,937 48.645,938 92.224,939 67.02,941 176.567,942 97.807,943 123.409,946 176.567,947 20.13,948 105.056,949 18.011,950 78.019,951 176.567,952 97.807,953 123.409,955 0.576,956 0.343,957 0.189,958 0.105,959 20,960 8,961 0.091,962 4,963 1,964 1.095,965 3.709,966 215.117,967 0.095,968 21,969 116.096,974 15.548,975 6.497,976 3.041,977 1.595,978 96.03,979 16.696,980 17.753,984 3.772,985 1.73,986 18.011,987 397.782,988 39,999 41.356,1000 46.275,1001 0.296,1002 0.686,1003 0.864,1004 0.957,1005 0.957,1006 0.957,1007 4.902,1008 1.259,1009 5.74,1010 3.776,1011 4.369,1012 5.034,1013 1.029,1014 6.553,1015 4.272,1016 6.123,1017 1.18,1018 7.294,1019 2.982,1020 3.892,1021 4.808,1023 7.434,1024 3.753,1025 7.436,1026 1,1027 8.948,1028 2.635,1029 5.958,1030 7.312,1031 0.763,1032 10.555,1033 5.771,1034 8.789,1035 0.891,1036 10.662,1037 2.27,1038 6.33,1039 7.959,1041 12.288,1042 6.097,1043 10.174,1044 0.43,1045 12.416,1046 2.136,1047 7.837,1048 9.893,1049 0.597,1050 14.914,1051 7.563,1052 11.585,1053 0.03,1054 14.197,1055 0.627,1056 8.608,1057 10.972,1059 17.007,1060 8.285,1061 13.015,1062 -0.364,1063 15.998,1064 0.083,1065 9.886,1066 12.662,1067 0.47,1068 19.467,1069 9.523,1070 3.204,1071 -0.648,1072 17.815,1073 -0.92,1074 10.851,1075 13.963,1077 21.72,1078 10.436,1079 2.734,1080 10.956,1081 19.644,1082 -1.506,1083 12.037,1084 15.547,1085 0.367,1086 24.124,1087 11.58,1088 2.697,1089 8.881,1090 21.483,1091 4.612,1092 13.095,1093 16.96,1095 26.45,1096 12.586,1097 2.328,1098 7.962,1099 23.331,1100 3.706,1101 14.249,1102 18.502,1103 0.283,1104 28.838,1105 13.693,1106 1.96,1107 7.125,1108 25.186,1109 3.677,1110 15.352,1111 19.971,1113 31.197,1114 14.745,1115 1.815,1116 5.686,1117 27.046,1118 3.121,1119 16.497,1120 21.498,1121 0.217,1122 33.583,1123 15.842,1124 1.339,1125 4.672,1126 28.912,1127 2.694,1128 17.625,1129 22.996,1131 35.958,1132 16.916,1133 6549,1134 10985,1135 19.186,1136 28.296,1137 41.942,1138 42.208,1139 42.878,1140 41.673,1141 41.736,1142 58.149,1143 2.52,1144 119.58,1145 39.625,1146 5.424,1147 5.25,1148 6.526,1149 5.234,1150 5.204,1151 7.612,1152 1.72,1153 18.13,1154 5.049,1155 9.064,1156 1.498,1157 1.507,1158 1.531,1159 1.488,1160 1.491,1161 2.077,1162 0.09,1163 4.271,1164 1.415,1165 4.113,1166 4.165,1167 4.094,1168 3.954,1169 5.157,1170 3.982,1171 3.888,1172 3.916,1173 3.832,1174 3.8,1175 4.88,1176 3.804,1177 3.827,1178 3.873,1179 3.772,1180 3.709,1181 4.868,1182 3.719,1183 3.368,1184 3.451,1185 3.292,1186 3.102,1187 4.546,1188 3.135,1189 3.243,1190 3.311,1191 3.087,1192 2.973,1193 4.389,1194 2.987,1195 3.061,1196 3.129,1197 2.959,1198 2.901,1199 4.06,1200 2.903,1201 2.963,1202 3.058,1203 2.769,1204 2.776,1205 3.805,1206 2.764,1207 2.77,1208 2.853,1209 2.626,1210 2.617,1211 3.743,1212 2.594,1213 0.166,1214 0.116,1215 0.24,1216 0.148,1217 0.114,1218 4.646,1219 0.165,1220 3.25,1221 0.031,1222 6.725,1223 0.391,1224 4.156,1225 0.109,1226 3.204,1227 4.612,1228 0.86,1229 10.956,1230 3.049,1231 1.929,1232 1.897,1233 2.007,1234 2.074,1235 1.088,1236 2.051,1237 1.857,1238 1.829,1239 1.957,1240 1.971,1241 1.015,1242 1.97,1243 1.698,1244 1.661,1245 1.792,1246 1.859,1247 0.886,1248 1.843,1249 1.437,1250 1.345,1251 1.657,1252 1.729,1253 0.686,1254 1.707,1255 1.198,1256 1.126,1257 1.569,1258 1.513,1259 0.573,1260 1.53,1261 1.032,1262 0.977,1263 1.226,1264 1.232,1265 0.268,1266 1.24,1267 0.953,1268 0.884,1269 1.182,1270 1.193,1271 0.228,1272 1.193,1273 0.786,1274 0.715,1275 1.066,1276 1.004,1277 0.134,1278 1.033,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.727,1285 8.494,1286 6.823,1287 10.155,1289 3.501,1296 3.34,1297 5.28,1305 27.477,1306 65.091,1307 150.601,1308 189.885,1309 210.15,1310 210.15,1311 210.15,1312 27.359,1313 7.418,1314 77.75,1315 77.75,1316 23,1317 12.52,1318 4.524,1319 3.585,1320 35.669,1321 81,1322 90,1323 0.212,1324 169.347,1325 275.31,1326 404.967,1327 15756,1329 17.225,1330 0.689,1331 0.554,1332 17.225,1333 13.84,1334 12.242,1335 0.437,1336 0.277,1337 7.606,1338 11.658,1339 7.39,1340 6.186,1341 12.242,1342 7.756,1343 10.815,1344 0.277,1345 0.141,1346 10.815,1347 5.5,1348 9.443,1349 0.178,1350 0.073,1351 9.443,1352 3.844,1353 7.984,1354 0.112,1355 0.036,1356 7.984,1357 2.579,1358 6.576,1359 0.072,1360 0.019,1361 6.576,1362 1.701,1363 0.324,1364 77.403,1365 0.228,1366 23.878,1367 0.611,1368 134,1369 404.294,1370 148.396,1371 393.833,1372 554.13,1373 372,1374 159,1375 426.007,1376 174.786,1377 432.782,1378 629.88,1379 405,1380 7.538}
{0 CHEMBL1258920,1 1.643,2 9.846,3 1.649,4 2.719,5 96.457,6 8.295,7 0.759,8 3.887,9 4.017,10 3.548,11 3.357,12 5.114,13 3.389,14 4.352,15 4.528,16 3.9,17 3.706,18 5.561,19 3.73,20 4.462,21 4.637,22 3.921,23 3.786,24 5.647,25 3.795,26 4.536,27 4.75,28 3.838,29 3.776,30 5.683,31 3.743,32 4.48,33 4.701,34 3.779,35 3.76,36 5.49,37 3.723,38 4.466,39 4.664,40 3.86,41 3.779,42 5.635,43 3.76,44 4.551,45 4.78,46 3.795,47 3.758,48 5.642,49 3.725,50 4.442,51 4.666,52 3.616,53 3.626,54 5.552,55 3.571,56 0.114,57 0.725,58 7.136,59 2.918,60 9.531,61 3.661,62 0.362,63 1.073,64 13.922,65 4.719,66 25.879,67 6.056,68 0.295,69 1.191,70 14.874,71 4.891,72 23.109,73 6.46,74 0.51,75 1.196,76 17.848,77 5.803,78 37.258,79 7.892,80 0.285,81 1.116,82 17.852,83 6.114,84 22.691,85 8.65,86 0.407,87 1.169,88 15.689,89 5.321,90 27.291,91 7.181,92 0.365,93 1.167,94 19.16,95 5.943,96 31.357,97 8.459,98 0.462,99 0.996,100 17.317,101 5.484,102 32.713,103 7.663,104 11,105 41,106 0.283,107 0.68,108 0.813,109 0.857,110 0.857,111 0.857,112 3.305,113 0.81,114 -3.88,115 -3.84,116 -3.64,119 40.5,124 2,142 4,143 2,144 2,145 3,147 1,149 1,150 1,161 1,163 1,164 1,165 1,166 1,172 2,174 3,175 10,177 2,178 3,180 3,183 3,186 1,187 1,192 1,195 1,198 6,199 4,202 4,204 3,207 3,209 1,212 2,220 1,223 3,224 10,226 2,227 4,232 3,236 2,237 3,245 1,249 3,250 8,252 1,253 1,254 1,255 1,257 1,258 1,260 1,263 2,265 1,266 1,275 1032,276 17.765,277 17.765,278 17.765,279 17.765,280 17.765,281 15.154,282 20.125,283 10.349,284 18.343,285 14.264,286 14.264,287 14.264,288 14.264,289 14.264,290 10.315,291 28.856,292 4.874,293 15.142,294 3.75,295 1.445,296 0.673,297 0.417,298 0.417,299 0.417,300 4.003,303 1,304 1,305 1,306 557,307 2.55,310 55.888,311 214.274,314 100.249,318 1.396,319 21.276,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 57,331 256,332 4.647,333 3.251,334 6.725,335 4.156,336 3.204,337 4.612,338 0.86,339 10.956,340 3.049,341 4.15,342 2.918,343 6.102,344 3.728,345 2.765,346 3.775,347 0.4,348 8.902,349 2.664,350 4.077,351 2.782,352 5.739,353 3.655,354 2.697,355 3.678,357 7.962,358 2.583,359 3.724,360 2.569,361 5.494,362 3.272,363 2.348,364 3.186,366 7.127,367 2.17,368 3.617,369 2.368,370 5.045,371 3.171,372 2.256,373 3.013,375 6.093,376 2.058,377 3.296,378 2.139,379 4.944,380 2.894,381 1.948,382 2.556,384 5.684,385 1.833,386 2.967,387 1.517,388 4.428,389 2.433,390 1.493,391 2.183,393 4.24,394 1.399,395 2.737,396 1.444,397 4.332,398 2.279,399 1.324,400 1.834,402 3.776,403 1.262,404 2.668,405 1.273,406 3.761,407 2.177,408 1.201,409 1.745,411 2.685,412 1.168,413 2.5,414 1,415 3.491,416 1.917,417 1,418 1.5,420 2.442,421 0.916,422 2.377,423 0.99,424 3.414,425 1.881,426 0.947,427 1.328,428 2.275,429 0.882,430 1.584,431 0.936,432 2.962,433 1.294,434 0.43,435 0.482,436 0.627,437 0.368,438 1.35,439 0.174,440 2.699,441 0.96,442 0.032,443 0.04,445 0.086,446 0.029,447 1.182,448 -0.01,449 2.654,450 0.786,451 -0.132,452 -0.165,454 -0.303,455 -0.121,456 0.858,457 -0.348,458 2.532,459 0.43,460 -0.501,461 -0.642,463 -1.21,464 -0.465,465 12.033,466 0.463,467 0.623,468 0.024,469 40,470 1.538,471 21.5,472 0.827,473 18.5,474 0.712,475 16.288,476 0.626,477 26.967,478 0.642,479 29.158,480 1.121,481 8.069,482 0.31,483 4.566,484 0.176,485 0.116,487 0.366,493 0.974,494 1.423,495 0.703,496 1.084,497 1.066,498 0.876,499 1.086,500 0.941,501 0.728,502 0.762,503 0.74,504 0.699,505 1.236,506 1.396,507 0.984,508 1.108,509 0.999,510 1.012,511 0.839,512 0.801,513 1.068,514 0.984,515 1.013,516 1.055,517 0.866,518 1.164,519 0.799,520 0.987,521 0.701,522 0.901,523 0.824,524 0.927,525 0.993,526 0.976,527 0.707,528 1.001,529 0.993,530 1.094,531 0.969,532 1.034,533 0.943,534 0.993,535 0.951,536 0.927,537 1.111,538 1.06,539 1.051,540 1.109,541 5.5,542 0.058,543 2.889,544 1.569,545 1.369,546 0.976,547 0.646,548 0.385,549 0.324,550 0.203,551 7658,552 22524,553 2.124,554 38.1,556 10,558 3,559 3,564 1.696,565 2,566 3.27,567 1.05,568 1,569 1,571 1,573 68.99,574 1.643,575 3.948,576 4.719,577 4.975,578 4.975,579 4.975,580 2.705,581 4.393,582 4.67,583 3.388,584 1101.15,585 8.123,586 13483.4,587 1,588 1,590 1,591 226.477,592 1.37,593 4.637,594 0.19,595 0.005,596 0.07,597 0.038,598 0.038,599 0.027,600 0.017,601 0.011,602 0.012,603 0.01,604 0.418,605 0.33,606 1,607 0.721,608 125.541,609 -0.092,610 -0.238,611 0.05,612 -0.101,613 -0.217,614 -0.011,615 0.016,616 0.156,617 0.149,618 0.192,619 0.157,620 0.187,621 -0.24,622 -0.294,623 -0.129,624 -0.164,625 -0.123,626 -0.131,627 0.134,628 0.251,629 -0.14,630 -0.049,631 -0.072,632 -0.138,633 -0.053,634 -0.199,635 0.154,636 0.044,637 0.05,638 0.122,639 0.068,640 0.165,641 -0.113,642 -0.03,643 0.087,644 -0.095,645 -0.084,646 -0.109,648 -0.064,649 -0.036,650 -0.018,651 0.095,652 0.04,653 -0.129,654 -0.085,655 -0.055,656 -0.137,657 1.468,658 1.771,659 0.808,660 21.799,661 1.016,662 1.139,663 2.652,664 7.032,665 0.68,666 3.401,667 3.738,668 4.025,669 4.304,670 4.564,671 4.682,672 4.844,673 5.011,674 5.112,675 5.17,676 5.807,677 0.667,678 348.41,679 3.401,680 4.949,681 5.808,682 6.693,683 7.572,684 8.464,685 9.352,686 10.249,687 11.142,688 12.042,689 19,693 1,697 2,699 5,703 2,704 7,705 5,709 6,710 1,711 22,722 1,724 1,729 1,731 42,733 22,734 1,735 29,737 45,738 17,739 15,740 2,741 4,746 4,747 5,761 15,762 2,777 1,778 1,781 16,782 8,783 3,784 9,790 8,794 0.75,795 1,803 1,806 2,811 1,812 3,815 1,840 3,844 2,848 26,849 1,855 1,856 1,870 2.4,875 1,877 13,878 8.283,879 5.694,880 2.2,881 3.951,882 1.526,883 1.019,884 4.207,885 11.467,886 3.714,887 4.385,888 5.03,889 5.664,890 6.242,891 6.609,892 7.097,893 7.597,894 7.975,895 8.364,896 0.857,897 41,898 9.483,900 3.977,901 7.744,902 17.822,904 14.157,905 2.244,906 58.333,910 153.024,911 106.356,912 136.49,914 11,917 106.356,918 164.024,919 136.49,920 19.279,922 70.802,923 120.834,924 74.016,925 4.227,926 117.711,928 153.024,929 242.845,930 11,933 155.352,934 11,937 50.544,938 106.168,939 83.805,941 153.024,942 147.49,943 106.356,946 153.024,947 22.029,948 86.103,949 18.011,950 127.702,951 153.024,952 147.49,953 106.356,955 0.583,956 0.343,957 0.183,958 0.104,959 21,960 9,961 0.089,962 4,963 1,964 1.095,965 3.77,966 226.817,967 0.095,968 21,969 118.211,974 16.394,975 6.673,976 3.235,977 1.493,978 145.713,979 12.5,980 21.5,984 3.558,985 1.69,986 50.908,987 406.869,988 40,999 42.676,1000 47.857,1001 0.305,1002 0.732,1003 0.875,1004 0.923,1005 0.923,1006 0.923,1007 4.938,1008 1.324,1009 5.796,1010 4.24,1011 4.419,1012 5.072,1013 1.029,1014 6.611,1015 4.306,1016 6.17,1017 1.201,1018 7.356,1019 3.776,1020 4.007,1021 4.913,1023 7.496,1024 3.85,1025 7.49,1026 1,1027 9.011,1028 2.685,1029 6.019,1030 7.359,1031 0.763,1032 10.597,1033 5.806,1034 8.848,1035 0.947,1036 10.723,1037 2.442,1038 6.415,1039 8.033,1041 12.315,1042 6.159,1043 10.235,1044 0.43,1045 12.471,1046 2.275,1047 7.894,1048 9.938,1049 0.597,1050 14.935,1051 7.59,1052 11.646,1053 0.032,1054 14.246,1055 0.627,1056 8.67,1057 11.024,1059 17.019,1060 8.322,1061 13.074,1062 -0.132,1063 16.04,1064 0.086,1065 9.934,1066 12.699,1067 0.47,1068 19.477,1069 9.541,1070 3.204,1071 -0.501,1072 17.851,1073 -0.303,1074 10.896,1075 14,1077 21.726,1078 10.458,1079 2.765,1080 10.956,1081 19.674,1082 -1.21,1083 12.075,1084 15.576,1085 0.367,1086 24.129,1087 11.591,1088 2.697,1089 8.902,1090 21.508,1091 4.612,1092 13.13,1093 16.987,1095 26.453,1096 12.598,1097 2.348,1098 7.962,1099 23.351,1100 3.775,1101 14.279,1102 18.524,1103 0.283,1104 28.841,1105 13.701,1106 2.256,1107 7.127,1108 25.202,1109 3.678,1110 15.38,1111 19.991,1113 31.199,1114 14.752,1115 1.948,1116 6.093,1117 27.06,1118 3.186,1119 16.522,1120 21.515,1121 0.217,1122 33.585,1123 15.846,1124 1.493,1125 5.684,1126 28.923,1127 3.013,1128 17.647,1129 23.01,1131 35.96,1132 16.921,1133 7309,1134 12689,1135 19.592,1136 28.546,1137 43.584,1138 43.746,1139 45.01,1140 43.248,1141 43.293,1142 59.865,1143 2.52,1144 125.709,1145 40.762,1146 5.424,1147 5.251,1148 6.317,1149 5.235,1150 5.204,1151 7.612,1152 1.72,1153 18.131,1154 5.049,1155 11.53,1156 1.503,1157 1.508,1158 1.552,1159 1.491,1160 1.493,1161 2.064,1162 0.087,1163 4.335,1164 1.406,1165 4.112,1166 4.164,1167 4.094,1168 3.947,1169 5.252,1170 3.977,1171 3.888,1172 3.916,1173 3.832,1174 3.796,1175 5.122,1176 3.802,1177 3.812,1178 3.872,1179 3.776,1180 3.638,1181 4.868,1182 3.665,1183 3.373,1184 3.458,1185 3.303,1186 3.092,1187 4.662,1188 3.13,1189 3.247,1190 3.315,1191 3.102,1192 2.969,1193 4.484,1194 2.987,1195 3.113,1196 3.199,1197 2.99,1198 2.893,1199 4.373,1200 2.911,1201 2.963,1202 3.059,1203 2.772,1204 2.776,1205 4.049,1206 2.764,1207 2.829,1208 2.937,1209 2.686,1210 2.617,1211 3.962,1212 2.597,1213 0.16,1214 0.112,1215 0.232,1216 0.143,1217 0.11,1218 4.647,1219 0.159,1220 3.251,1221 0.03,1222 6.725,1223 0.378,1224 4.156,1225 0.105,1226 3.204,1227 4.612,1228 0.86,1229 10.956,1230 3.049,1231 1.92,1232 1.888,1233 2.001,1234 2.073,1235 1.084,1236 2.045,1237 1.837,1238 1.805,1239 1.906,1240 1.971,1241 0.982,1242 1.961,1243 1.654,1244 1.609,1245 1.748,1246 1.861,1247 0.785,1248 1.829,1249 1.437,1250 1.344,1251 1.652,1252 1.73,1253 0.68,1254 1.707,1255 1.198,1256 1.126,1257 1.569,1258 1.513,1259 0.573,1260 1.531,1261 1.05,1262 0.972,1263 1.27,1264 1.335,1265 0.228,1266 1.33,1267 0.954,1268 0.885,1269 1.185,1270 1.198,1271 0.134,1272 1.2,1273 0.802,1274 0.717,1275 1.099,1276 1.126,1277 0.079,1278 1.135,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.727,1285 8.545,1286 6.823,1287 10.206,1289 3.455,1293 5.561,1296 3.307,1297 5.271,1305 27.993,1306 68.99,1307 165.806,1308 198.213,1309 208.968,1310 208.968,1311 208.968,1312 30.038,1313 7.516,1314 116.66,1315 116.66,1316 23,1317 12.566,1318 4.524,1319 3.585,1320 37.8,1321 88,1322 97,1323 0.208,1324 173.343,1325 280.01,1326 414.718,1327 17787,1329 18.096,1330 0.696,1331 0.547,1332 18.096,1333 14.21,1334 12.635,1335 0.436,1336 0.27,1337 7.651,1338 11.952,1339 7.447,1340 6.229,1341 12.635,1342 7.825,1343 11.436,1344 0.279,1345 0.136,1346 11.436,1347 5.588,1348 9.854,1349 0.179,1350 0.07,1351 9.854,1352 3.855,1353 8.136,1354 0.111,1355 0.035,1356 8.136,1357 2.538,1358 6.8,1359 0.072,1360 0.018,1361 6.8,1362 1.691,1363 0.318,1364 80.463,1365 0.226,1366 24.743,1367 0.594,1368 140,1369 441.251,1370 157.643,1371 429.554,1372 601.52,1373 404,1374 166,1375 463.669,1376 184.45,1377 469.761,1378 683.66,1379 439,1380 7.796}
{0 CHEMBL1258995,1 1.694,2 15.2,3 5.985,4 35.817,5 145.101,6 8.494,7 0.622,8 4.29,9 4.396,10 3.96,11 3.853,12 5.486,13 3.864,14 4.832,15 4.978,16 4.406,17 4.264,18 6.385,19 4.262,20 5.08,21 5.265,22 4.444,23 4.448,24 6.213,25 4.413,26 5.2,27 5.395,28 4.43,29 4.457,30 6.411,31 4.407,32 5.21,33 5.426,34 4.409,35 4.423,36 6.428,37 4.367,38 5.163,39 5.389,40 4.332,41 4.337,42 6.392,43 4.302,44 5.046,45 5.257,46 4.335,47 4.249,48 6.367,49 4.237,50 4.952,51 5.139,52 4.336,53 4.184,54 6.306,55 4.193,56 0.168,57 1.167,58 9.838,59 5.634,60 26.967,61 6.216,62 1.038,63 2.277,64 20.861,65 9.247,66 153.053,67 10.613,68 0.562,69 2.306,70 28.707,71 12.53,72 56.019,73 15.311,74 0.984,75 2.586,76 35.76,77 14.689,78 110.153,79 17.408,80 1.088,81 2.651,82 39.242,83 15.565,84 133.179,85 19.049,86 1.117,87 2.744,88 39.593,89 14.945,90 175.324,91 16.647,92 1.094,93 2.478,94 33.147,95 12.092,96 116.521,97 13.414,98 0.653,99 2.22,100 27.679,101 11.33,102 79.711,103 12.6,104 30,105 66,106 0.265,107 0.572,108 0.709,109 0.839,110 0.878,111 0.878,112 3.718,113 0.847,114 -4.48,115 -4.41,116 -4.15,119 46.9,125 4,132 1,142 12,143 5,144 3,145 2,146 2,159 1,167 2,170 1,172 13,174 1,175 8,178 2,180 4,183 16,186 1,187 8,192 3,195 15,199 4,200 1,202 1,204 2,207 14,211 1,212 5,215 2,217 2,220 15,224 5,229 1,232 14,233 2,236 1,237 8,240 1,242 3,245 15,246 2,250 4,253 1,255 3,258 9,262 1,263 6,268 2,269 1,271 6,275 3244,276 26.866,277 26.866,278 26.866,279 26.866,280 26.866,281 23.56,282 25.083,283 15.476,284 27.533,285 22.241,286 22.241,287 22.241,288 22.241,289 22.241,290 17.187,291 39.896,292 7.351,293 23.394,294 4.306,295 2.341,296 1.465,297 0.637,298 0.387,299 0.387,300 4.432,305 1,306 1349,307 4,311 694.546,315 368.056,318 2.23,319 59.055,322 0.75,323 0.67,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.73,330 89,331 608,332 4.596,333 4.472,334 7.289,335 4.301,336 3.411,337 4.495,338 3.825,339 12.462,340 3.095,341 4.551,342 3.699,343 6.558,344 4.098,345 3.114,346 4.334,347 2.09,348 10.421,349 3.057,350 4.409,351 3.166,352 6.261,353 3.919,354 2.937,355 4.093,356 0.8,357 9.473,358 2.883,359 3.968,360 3.115,361 6.164,362 3.736,363 2.827,364 3.492,365 0.565,366 8.983,367 2.57,368 3.932,369 2.953,370 5.963,371 3.582,372 2.624,373 3.125,374 0.4,375 8.443,376 2.551,377 3.825,378 2.664,379 5.896,380 3.508,381 2.572,382 3.057,384 8.084,385 2.305,386 3.672,387 2.516,388 5.463,389 3.342,390 2.385,391 2.892,393 7.251,394 2.269,395 3.389,396 2.298,397 5.073,398 2.939,399 1.972,400 2.736,402 5.907,403 1.903,404 3.118,405 2.032,406 4.727,407 2.602,408 1.628,409 2.427,411 4.761,412 1.59,413 3.118,414 1.735,415 4.504,416 2.584,417 1.618,418 2.427,420 4.544,421 1.559,422 2.918,423 1.618,424 4.342,425 2.583,426 1.618,427 2.12,428 4.17,429 1.535,430 2.895,431 1.618,432 4.074,433 2.406,434 1.422,435 1.935,436 3.407,437 1.397,438 2.76,439 1.423,440 4.021,441 2.254,442 1.262,443 1.889,445 3.15,446 1.25,447 2.584,448 1.265,449 3.71,450 2.143,451 1.194,452 1.614,454 2.939,455 1.11,456 2.412,457 1.251,458 3.609,459 2.056,460 1.086,461 1.355,463 2.689,464 1.042,465 18.524,466 0.463,467 1.172,468 0.029,469 55.25,470 1.381,471 28.5,472 0.713,473 26.75,474 0.669,475 34.082,476 0.852,477 42.076,478 0.657,479 50.163,480 1.254,481 11.165,482 0.279,483 8.094,484 0.202,485 0.082,486 0.027,487 0.34,490 3,493 0.637,494 1.026,495 0.648,496 0.971,497 0.608,498 0.855,499 0.449,500 0.804,501 0.744,502 0.869,503 0.324,504 0.882,505 0.628,506 0.878,507 0.874,508 0.993,509 0.498,510 0.997,511 0.877,512 0.905,513 1.059,514 1.065,515 0.931,516 1.115,517 0.848,518 0.927,519 0.945,520 0.985,521 0.957,522 1.01,523 1.424,524 1.231,525 1.157,526 0.96,527 1.453,528 0.963,529 1.301,530 1.054,531 1.1,532 0.884,533 1.328,534 0.904,535 1.175,536 1.276,537 0.904,538 1.087,539 1.154,540 0.954,541 9,542 0.301,543 5.333,544 2.625,545 2.756,546 1.778,547 0.932,548 0.92,549 0.731,550 0.384,551 27869,552 86669,553 2.129,554 37.5,556 20,558 2,559 2,564 1.8,565 1.992,566 3.854,567 0.149,573 108.39,574 1.694,575 3.659,576 4.535,577 5.363,578 5.613,579 5.613,580 3.347,581 4.565,582 5.291,583 4.031,584 3144.39,585 9.342,586 54016.1,591 384,592 1.523,593 5.249,594 0.2,595 0.007,596 0.081,597 0.038,598 0.042,599 0.028,600 0.016,601 0.016,602 0.012,603 0.007,604 0.446,605 0.17,606 0.75,607 0.724,608 225.837,609 -0.056,610 -0.102,611 0.027,612 -0.008,613 -0.088,614 0.024,615 0.358,616 0.225,617 0.056,618 0.078,619 0.413,620 0.002,621 -0.042,622 -0.049,623 -0.033,624 -0.042,625 0.012,626 -0.032,627 -0.027,628 -0.008,629 -0.123,630 -0.086,631 -0.087,632 -0.13,633 0.055,634 -0.002,635 0.055,636 0.02,637 -0.043,638 0.02,639 -0.202,640 -0.002,641 -0.089,642 0.073,643 -0.209,644 0.049,645 -0.103,646 0.149,647 -0.079,648 0.099,649 -0.15,650 0.046,651 -0.1,652 -0.204,653 0.067,654 -0.1,655 -0.066,656 0.002,657 5.84,658 6.157,659 0.8,660 48.855,661 1.022,662 1.133,663 3.252,664 10.574,665 0.689,666 3.829,667 4.205,668 4.489,669 4.771,670 5.075,671 5.176,672 5.375,673 5.541,674 5.743,675 5.817,676 8.63,677 0.679,678 543.59,679 3.829,680 5.407,681 6.275,682 7.175,683 8.06,684 8.961,685 9.852,686 10.754,687 11.649,688 12.551,689 7.8,695 1,696 1,697 1,699 2,703 4,704 14,705 2,709 6,711 28,724 1,726 1,731 64,733 29,734 3,735 45,737 69,738 30,739 24,740 8,741 10,746 6,747 8,752 1,757 1,761 25,762 5,766 1,771 1,775 1,779 3,781 24,782 10,783 2,784 10,790 5,794 0.667,795 2,805 2,812 6,816 2,837 1,838 1,840 4,846 3,848 40,853 1,854 4,855 1,859 2,860 1,869 3,870 3.1,872 1,873 1,877 20.083,878 11.512,879 8.444,880 3.765,881 5.782,882 1.624,883 1.03,884 6.789,885 15.044,886 4.111,887 4.766,888 5.391,889 6.015,890 6.654,891 7.017,892 7.531,893 8.034,894 8.581,895 8.954,896 1,897 70,898 15.395,900 7.295,901 8.077,902 27.629,904 23.348,905 2.577,906 103.083,910 258.964,911 175.734,912 57.83,914 67.828,915 44.88,917 175.734,918 326.793,919 102.711,921 11.547,922 113.715,923 124.942,924 111.371,925 0.481,926 235.422,927 7.76,928 258.964,929 233.565,930 112.709,933 258.964,934 112.709,937 59.701,938 140.293,939 33.571,941 303.845,942 125.659,943 175.734,946 266.724,947 36.165,948 138.058,949 18.011,950 146.28,951 258.964,952 170.539,953 175.734,955 0.597,956 0.344,957 0.183,958 0.106,959 34,960 15,961 0.058,962 4,963 2,964 1.125,965 4.899,966 419.689,967 0.125,968 32,969 204.122,974 26.062,975 10.42,976 5.342,977 3.361,978 170.539,979 24.972,980 8.977,984 1.995,986 60.694,987 605.238,988 60,993 11.201,997 -1.07,999 65.421,1000 72.497,1001 0.282,1002 0.61,1003 0.756,1004 0.894,1005 0.936,1006 0.936,1007 5.375,1008 1.972,1009 6.297,1010 7.251,1011 4.89,1012 5.455,1013 3.395,1014 7.159,1015 4.796,1016 6.611,1017 1.628,1018 7.892,1019 5.907,1020 4.635,1021 5.352,1022 4.013,1023 8.267,1024 4.417,1025 7.943,1026 1.618,1027 9.594,1028 4.761,1029 6.569,1030 7.722,1031 5.527,1032 11.323,1033 6.37,1034 9.31,1035 1.618,1036 11.359,1037 4.544,1038 7.107,1039 8.42,1040 6.729,1041 13.239,1042 6.783,1043 10.707,1044 1.422,1045 13.166,1046 4.17,1047 8.555,1048 10.293,1049 8.088,1050 15.873,1051 8.23,1052 12.127,1053 1.262,1054 15.001,1055 3.407,1056 9.442,1057 11.38,1058 9.401,1059 18.116,1060 9.008,1061 13.563,1062 1.194,1063 16.857,1064 3.15,1065 10.708,1066 13.037,1067 10.743,1068 20.632,1069 10.247,1070 3.411,1071 1.086,1072 18.731,1073 2.939,1074 11.754,1075 14.321,1076 12.078,1077 23.017,1078 11.198,1079 3.114,1080 12.462,1081 20.618,1082 2.689,1083 12.956,1084 15.878,1085 13.419,1086 25.508,1087 12.353,1088 2.937,1089 10.421,1090 22.517,1091 4.495,1092 14.076,1093 17.261,1094 14.759,1095 27.958,1096 13.386,1097 2.827,1098 9.473,1099 24.425,1100 4.334,1101 15.261,1102 18.774,1103 16.1,1104 30.451,1105 14.508,1106 2.624,1107 8.983,1108 26.343,1109 4.093,1110 16.418,1111 20.206,1112 17.442,1113 32.933,1114 15.58,1115 2.572,1116 8.443,1117 28.268,1118 3.492,1119 17.603,1120 21.7,1121 18.783,1122 35.433,1123 16.691,1124 2.385,1125 8.084,1126 30.2,1127 3.125,1128 18.78,1129 23.156,1130 20.125,1131 37.931,1132 17.783,1133 25681,1134 45526,1135 30.224,1136 44.125,1137 69.594,1138 69.471,1139 69.879,1140 69.116,1141 68.851,1142 90.93,1143 15.361,1144 206.441,1145 65.56,1146 5.596,1147 6.472,1148 6.976,1149 5.369,1150 5.411,1151 7.495,1152 5.344,1153 20.191,1154 5.095,1155 19.726,1156 1.547,1157 1.544,1158 1.553,1159 1.536,1160 1.53,1161 2.021,1162 0.341,1163 4.588,1164 1.457,1165 4.141,1166 4.168,1167 4.105,1168 4.077,1169 8.513,1170 4.08,1171 4.01,1172 4.042,1173 3.972,1174 3.934,1175 7.999,1176 3.939,1177 3.959,1178 3.995,1179 3.918,1180 3.865,1181 7.999,1182 3.872,1183 3.758,1184 3.812,1185 3.676,1186 3.56,1187 7.475,1188 3.576,1189 3.548,1190 3.585,1191 3.485,1192 3.468,1193 6.351,1194 3.466,1195 3.351,1196 3.4,1197 3.348,1198 3.21,1199 5.046,1200 3.208,1201 3.302,1202 3.339,1203 3.248,1204 3.029,1205 4.942,1206 3.078,1207 3.27,1208 3.303,1209 3.184,1210 2.946,1211 4.702,1212 3.014,1213 0.102,1214 0.099,1215 0.162,1216 0.096,1217 0.076,1218 4.596,1219 0.1,1220 4.472,1221 0.085,1222 7.289,1223 0.277,1224 4.301,1225 0.069,1226 3.411,1227 4.495,1228 3.825,1229 12.462,1230 3.095,1231 2.091,1232 2.07,1233 2.157,1234 2.168,1235 1.303,1236 2.166,1237 1.987,1238 1.962,1239 2.067,1240 2.088,1241 1.283,1242 2.083,1243 1.916,1244 1.887,1245 2.018,1246 2.045,1247 1.167,1248 2.039,1249 1.698,1250 1.637,1251 1.877,1252 1.899,1253 1.066,1254 1.891,1255 1.541,1256 1.507,1257 1.672,1258 1.651,1259 0.825,1260 1.66,1261 1.309,1262 1.264,1263 1.513,1264 1.484,1265 0.757,1266 1.469,1267 1.153,1268 1.088,1269 1.487,1270 1.461,1271 0.542,1272 1.429,1273 1.125,1274 1.064,1275 1.258,1276 1.415,1277 0.391,1278 1.39,1279 4.511,1281 5.872,1283 7.431,1285 9.076,1287 10.765,1291 42.47,1294 9.166,1295 0.655,1296 3.16,1300 2.786,1301 -4.59,1305 43.481,1306 108.39,1307 234.168,1308 290.226,1309 343.245,1310 359.245,1311 359.245,1312 85.869,1313 9.262,1314 81.59,1315 81.59,1316 36,1317 13.073,1318 4.907,1319 4,1320 57.324,1321 208,1322 212,1323 0.132,1324 258.755,1325 452.73,1326 623.123,1327 172261,1328 4.7,1329 27.855,1330 0.696,1331 0.53,1332 25.355,1333 21.19,1334 19.258,1335 0.428,1336 0.282,1337 12.501,1338 18.422,1339 12.33,1340 10.088,1341 18.047,1342 12.712,1343 18.536,1344 0.281,1345 0.146,1346 16.541,1347 9.618,1348 15.217,1349 0.173,1350 0.081,1351 14.436,1352 7.137,1353 12.876,1354 0.11,1355 0.043,1356 12.266,1357 5.074,1358 11.234,1359 0.071,1360 0.023,1361 10.327,1362 3.66,1363 0.211,1364 121.42,1365 0.182,1366 35.951,1367 0.356,1368 222,1369 809.132,1370 253.991,1371 707.557,1372 946.34,1373 658,1374 265,1375 683.484,1376 290.344,1377 675.395,1378 1012.48,1379 636,1380 6.523}
{0 CHEMBL1276684,1 1.621,2 10.654,3 2.793,4 7.803,5 94.831,6 7.854,7 0.414,8 3.938,9 4.033,10 3.558,11 3.427,12 5.056,13 3.444,14 4.491,15 4.645,16 3.907,17 3.793,18 5.608,19 3.799,20 4.67,21 4.835,22 3.986,23 3.907,24 5.748,25 3.898,26 4.745,27 4.931,28 3.885,29 3.842,30 5.876,31 3.818,32 4.618,33 4.813,34 3.791,35 3.805,36 5.686,37 3.76,38 4.584,39 4.772,40 3.749,41 3.798,42 5.722,43 3.75,44 4.51,45 4.669,46 3.684,47 3.807,48 5.616,49 3.732,50 4.645,51 4.893,52 3.479,53 3.682,54 5.571,55 3.574,56 0.073,57 0.651,58 8.428,59 4.08,60 6.686,61 4.875,62 0.481,63 1.033,64 18.03,65 6.504,66 30.58,67 7.981,68 0.403,69 1.194,70 21.787,71 8.1,72 27.136,73 10.121,74 0.887,75 1.186,76 26.226,77 8.114,78 62.771,79 10.092,80 0.537,81 1.097,82 22.169,83 7.82,84 39.965,85 10.165,86 0.63,87 1.056,88 21.543,89 7.509,90 59.099,91 9.524,92 0.325,93 1.036,94 17.666,95 7.698,96 38.393,97 9.731,98 0.533,99 1.061,100 25,101 8.099,102 46.048,103 11.161,104 5,105 40,106 0.279,107 0.633,108 0.805,109 0.843,110 0.843,111 0.843,112 3.304,113 0.88,114 -3.28,115 -3.27,116 -3.14,119 42.2,120 1,125 5,142 4,143 3,144 2,145 2,158 1,159 1,172 5,174 4,175 9,183 4,186 1,187 8,195 3,198 4,199 9,207 3,211 2,212 4,220 4,223 3,224 4,232 5,236 1,237 5,245 3,249 1,250 7,258 1,262 1,263 4,275 1024,276 17.913,277 17.913,278 17.913,279 17.913,280 17.913,281 16.083,282 21.22,283 10.725,284 18.496,285 14.327,286 14.327,287 14.327,288 14.327,289 14.327,290 11.515,291 25.386,292 5.123,293 15.259,294 3.871,295 1.814,296 0.817,297 0.595,298 0.595,299 0.595,300 4.006,303 1,304 1,305 1,306 609,307 2.449,311 294.127,315 110.174,318 1.757,319 28.58,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.5,331 277,332 4.56,333 3.752,334 6.767,335 4.176,336 3.214,337 4.238,338 1.724,339 11.029,340 3.1,341 4.063,342 3.242,343 6.139,344 3.704,345 2.788,346 3.464,347 1.151,348 9.018,349 2.567,350 3.894,351 3.208,352 5.912,353 3.523,354 2.557,355 3.406,356 1.009,357 8.087,358 2.46,359 3.744,360 2.816,361 5.346,362 3.427,363 2.442,364 2.983,365 0.86,366 6.955,367 2.382,368 3.237,369 2.51,370 5.084,371 2.846,372 1.913,373 2.433,374 0.65,375 5.711,376 1.768,377 3.025,378 2.344,379 4.543,380 2.696,381 1.8,382 2.093,383 0.097,384 4.663,385 1.607,386 2.915,387 1.814,388 4.104,389 2.447,390 1.493,391 2.07,393 3.364,394 1.422,395 2.74,396 1.767,397 3.657,398 2.334,399 1.355,400 1.745,402 3.153,403 1.314,404 2.5,405 1.609,406 3.529,407 1.957,408 1.085,409 1.5,411 2.638,412 0.954,413 2.217,414 1.256,415 3.287,416 1.954,417 1,418 1.167,420 2.136,421 0.946,422 2,423 1.247,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.934,430 1.963,431 1,432 3.247,433 1.662,434 0.767,435 0.887,436 1.808,437 0.679,438 1.498,439 0.917,440 2.886,441 1.097,442 0.149,443 0.18,445 0.373,446 0.139,447 1.183,448 0.405,449 2.74,450 0.781,451 -0.19,452 -0.239,454 -0.479,455 -0.181,456 0.827,457 0.047,458 2.564,459 0.469,460 -0.491,461 -0.639,463 -1.274,464 -0.465,465 12.033,466 0.463,467 0.538,468 0.021,469 34,470 1.308,471 16,472 0.615,473 18,474 0.692,475 20.006,476 0.769,477 28.167,478 0.626,479 24.766,480 0.953,481 6.976,482 0.268,483 5.744,484 0.221,485 0.069,487 0.324,493 0.814,494 1.465,495 0.7,496 1.233,497 0.613,498 0.991,499 1.102,500 0.901,501 0.88,502 0.853,503 0.72,504 0.819,505 1.107,506 1.203,507 0.931,508 1.144,509 0.794,510 1.021,511 1.393,512 0.899,513 1.142,514 0.881,515 1.172,516 0.943,517 0.988,518 1.016,519 0.967,520 1.002,521 1.087,522 0.984,523 1.095,524 0.804,525 1.06,526 0.857,527 1.805,528 0.934,529 0.776,530 1.348,531 1.161,532 1.435,533 1.225,534 1.403,535 0.985,536 0.907,537 1.063,538 0.988,539 0.895,540 1.031,541 4,542 0.07,543 2.889,544 1.375,545 1.511,546 1.056,547 0.51,548 0.311,549 0.201,550 0.133,551 8283,552 23093,553 2.148,554 42.2,555 3,556 14,558 2,564 1.691,565 2.053,566 3.385,567 -0.722,568 1,569 1,571 1,573 72.957,574 1.621,575 3.678,576 4.675,577 4.897,578 4.897,579 4.897,580 2.902,581 4.056,582 4.668,583 3.527,584 1146.17,585 8.095,586 14142.2,588 1,590 1,591 247.133,592 1.239,593 4.65,594 0.138,595 0.005,596 0.072,597 0.033,598 0.042,599 0.031,600 0.015,601 0.01,602 0.009,603 0.007,604 0.363,605 0.33,606 1,607 0.465,608 126.845,609 -0.04,610 -0.31,611 0.079,612 -0.174,613 -0.024,614 -0.049,615 -0.019,616 0.185,617 0.04,618 0.121,619 0.035,620 0.097,621 -0.08,622 -0.178,623 0.001,624 -0.154,625 0.009,626 -0.073,627 -0.055,628 0.07,629 -0.116,630 0.059,631 -0.035,632 -0.024,633 0.006,634 -0.035,635 0.001,636 -0.016,637 -0.032,638 -0.009,639 -0.032,640 0.188,641 -0.092,642 0.127,643 -0.161,644 0.027,645 0.01,646 -0.332,647 -0.292,648 -0.391,649 -0.093,650 -0.41,651 -0.066,652 0.006,653 -0.034,654 -0.024,655 -0.067,656 -0.019,657 1.963,658 5.407,659 0.846,660 24.876,661 1.015,662 1.126,663 2.055,664 4.221,665 0.665,666 3.401,667 3.714,668 4.007,669 4.263,670 4.533,671 4.595,672 4.745,673 4.844,674 4.997,675 5.011,676 6.216,677 0.648,678 353.41,679 3.401,680 4.934,681 5.79,682 6.663,683 7.536,684 8.419,685 9.301,686 10.189,687 11.077,688 11.97,689 6.7,692 1,698 1,699 1,704 6,705 1,709 5,711 12,729 2,731 45,733 14,734 1,735 29,737 48,738 19,739 11,740 4,741 2,742 2,746 4,747 5,752 1,761 13,762 6,766 2,771 1,774 1,775 2,777 1,778 1,781 19,782 7,784 7,790 3,794 0.75,795 4,805 1,812 4,816 1,836 1,839 1,840 3,844 1,848 26,854 5,856 3,859 1,870 8.9,873 1,874 1,875 2,877 12.667,878 8.517,879 5.722,880 2.692,881 2.538,882 1.338,883 0.981,884 4.867,885 10.053,886 3.638,887 4.19,888 4.741,889 5.252,890 5.774,891 5.966,892 6.287,893 6.586,894 6.973,895 7.181,896 1,897 42,898 9.628,900 4.105,901 7.756,902 18.298,904 14.862,905 2.256,906 58.667,909 1,910 223.651,911 111.948,912 36.695,914 58.145,917 111.948,918 281.796,919 36.695,920 8.825,921 17.989,922 37.905,923 81.177,924 80.048,925 4.386,926 200.109,928 223.651,929 148.643,930 58.145,933 223.651,934 47.145,935 11,937 64.818,938 67.039,939 16.786,941 223.651,942 94.84,943 111.948,946 223.651,947 47.123,948 67.949,950 91.716,951 223.651,952 94.84,953 111.948,955 0.577,956 0.342,957 0.185,958 0.104,959 20,960 8,961 0.083,962 4,963 1,964 1.091,965 3.855,966 222.321,967 0.091,968 22,969 118.211,974 17.009,975 7.44,976 3.599,978 94.84,979 10.773,980 4.08,984 3.379,987 430.439,988 37,993 12.407,996 4.088,997 0.035,999 45.683,1000 50.654,1001 0.295,1002 0.67,1003 0.851,1004 0.892,1005 0.892,1006 0.892,1007 4.875,1008 1.355,1009 5.759,1010 3.364,1011 4.394,1012 4.875,1013 2.577,1014 6.564,1015 4.279,1016 6.056,1017 1.085,1018 7.311,1019 3.153,1020 3.892,1021 4.59,1022 1.176,1023 7.452,1024 3.769,1025 7.352,1026 1,1027 8.969,1028 2.638,1029 5.974,1030 6.998,1031 3.037,1032 10.581,1033 5.764,1034 8.684,1035 1,1036 10.69,1037 2.136,1038 6.33,1039 7.558,1040 2.373,1041 12.321,1042 6.114,1043 10.051,1044 0.767,1045 12.453,1046 2.136,1047 7.85,1048 9.428,1049 3.754,1050 14.964,1051 7.56,1052 11.443,1053 0.149,1054 14.244,1055 1.808,1056 8.613,1057 10.395,1058 3.574,1059 17.057,1060 8.31,1061 12.855,1062 -0.19,1063 16.055,1064 0.373,1065 9.901,1066 12.034,1067 4.635,1068 19.533,1069 9.54,1070 3.214,1071 -0.491,1072 17.881,1073 -0.479,1074 10.863,1075 13.215,1076 4.746,1077 21.785,1078 10.481,1079 2.788,1080 11.029,1081 19.719,1082 -1.274,1083 12.057,1084 14.745,1085 5.61,1086 24.203,1087 11.628,1088 2.557,1089 9.018,1090 21.567,1091 4.238,1092 13.116,1093 16.042,1094 5.891,1095 26.529,1096 12.66,1097 2.442,1098 8.087,1099 23.422,1100 3.464,1101 14.275,1102 17.522,1103 6.636,1104 28.928,1105 13.781,1106 1.913,1107 6.955,1108 25.284,1109 3.406,1110 15.382,1111 18.883,1112 7.017,1113 31.289,1114 14.858,1115 1.8,1116 5.711,1117 27.152,1118 2.983,1119 16.533,1120 20.339,1121 7.688,1122 33.684,1123 15.974,1124 1.493,1125 4.663,1126 29.025,1127 2.433,1128 17.664,1129 21.736,1130 8.13,1131 36.063,1132 17.074,1133 7777,1134 13123,1135 19.879,1136 29.926,1137 43.538,1138 44.746,1139 43.771,1140 43.074,1141 43.122,1142 54.333,1143 10.983,1144 122.142,1145 40.541,1146 5.56,1147 5.752,1148 6.569,1149 5.298,1150 5.214,1151 7.238,1152 3.122,1153 18.414,1154 5.1,1155 8.734,1156 1.501,1157 1.543,1158 1.509,1159 1.485,1160 1.487,1161 1.874,1162 0.379,1163 4.212,1164 1.398,1165 4.015,1166 4.03,1167 3.983,1168 3.908,1169 7.431,1170 3.921,1171 3.863,1172 3.902,1173 3.801,1174 3.759,1175 4.966,1176 3.763,1177 3.765,1178 3.816,1179 3.664,1180 3.55,1181 4.881,1182 3.571,1183 3.433,1184 3.457,1185 3.38,1186 3.204,1187 4.666,1188 3.242,1189 3.182,1190 3.254,1191 3.031,1192 3.009,1193 4.55,1194 2.999,1195 3.146,1196 3.206,1197 3.019,1198 2.96,1199 4.176,1200 2.965,1201 3.111,1202 3.202,1203 2.866,1204 2.941,1205 3.928,1206 2.91,1207 2.885,1208 2.922,1209 2.777,1210 2.618,1211 3.809,1212 2.649,1213 0.157,1214 0.129,1215 0.233,1216 0.144,1217 0.111,1218 4.56,1219 0.146,1220 3.752,1221 0.059,1222 6.767,1223 0.38,1224 4.176,1225 0.107,1226 3.214,1227 4.238,1228 1.724,1229 11.029,1230 3.1,1231 1.937,1232 1.925,1233 2.017,1234 2.068,1235 1.2,1236 2.047,1237 1.835,1238 1.799,1239 1.954,1240 1.973,1241 1.148,1242 1.969,1243 1.695,1244 1.638,1245 1.905,1246 1.92,1247 1.043,1248 1.919,1249 1.318,1250 1.288,1251 1.56,1252 1.574,1253 0.825,1254 1.543,1255 1.18,1256 1.114,1257 1.513,1258 1.417,1259 0.619,1260 1.442,1261 1.153,1262 1.064,1263 1.433,1264 1.376,1265 0.548,1266 1.429,1267 1.106,1268 1.052,1269 1.294,1270 1.336,1271 0.32,1272 1.341,1273 0.769,1274 0.722,1275 1.051,1276 1.091,1277 0.161,1278 1.069,1279 4.078,1281 5.389,1283 6.915,1285 8.537,1287 10.21,1289 1.882,1295 2.883,1297 17.214,1300 1.924,1305 29.138,1306 72.957,1307 165.518,1308 210.379,1309 220.379,1310 220.379,1311 220.379,1312 39.418,1313 7.516,1314 77.69,1315 77.69,1316 24,1317 12.498,1318 3.907,1319 3.17,1320 38.021,1321 95,1322 102,1323 0.194,1324 176.4,1325 313.06,1326 422.176,1327 18649,1329 17.933,1330 0.69,1331 0.557,1332 17.933,1333 14.474,1334 12.72,1335 0.439,1336 0.293,1337 8.335,1338 12.041,1339 8.162,1340 6.708,1341 12.72,1342 8.51,1343 11.213,1344 0.28,1345 0.153,1346 11.213,1347 6.116,1348 9.807,1349 0.182,1350 0.081,1351 9.807,1352 4.376,1353 8.14,1354 0.116,1355 0.042,1356 8.14,1357 2.926,1358 6.776,1359 0.074,1360 0.021,1361 6.776,1362 1.947,1363 0.302,1364 81.107,1365 0.224,1366 25.108,1367 0.537,1368 138,1369 463.877,1370 156.976,1371 429.962,1372 587.18,1373 406,1374 163,1375 428.746,1376 183.226,1377 427.453,1378 631.97,1379 401,1380 6.886}
{0 CHEMBL1287853,1 1.604,2 16.351,3 5.318,4 28.281,5 147.876,6 7.188,7 0.45,8 4.371,9 4.497,10 4.019,11 3.889,12 5.369,13 3.842,14 4.938,15 5.128,16 4.328,17 4.271,18 6.08,19 4.207,20 5.195,21 5.411,22 4.346,23 4.419,24 6.197,25 4.302,26 5.303,27 5.572,28 4.288,29 4.382,30 6.295,31 4.254,32 5.17,33 5.392,34 4.201,35 4.294,36 6.317,37 4.214,38 5.038,39 5.252,40 4.156,41 4.306,42 6.029,43 4.205,44 5.106,45 5.353,46 4.197,47 4.337,48 6.073,49 4.205,50 5.076,51 5.315,52 4.098,53 4.27,54 6.039,55 4.136,56 0.096,57 1.121,58 19.611,59 6.83,60 18.6,61 9.228,62 0.49,63 1.759,64 33.291,65 11.432,66 69.127,67 15.683,68 0.453,69 2.131,70 45.659,71 14.336,72 62.867,73 19.753,74 0.609,75 2.129,76 58.518,77 16.676,78 88.167,79 22.658,80 0.859,81 1.86,82 44.316,83 13.074,84 119.388,85 17.925,86 0.37,87 1.832,88 35.993,89 12.133,90 53.078,91 17.495,92 0.467,93 1.916,94 39.463,95 13.852,96 57.019,97 19.972,98 0.319,99 1.843,100 41.493,101 13.165,102 49.703,103 18.833,104 40,105 57,106 0.249,107 0.563,108 0.739,109 0.802,110 0.808,111 0.808,112 3.641,113 1.052,114 -4.36,115 -4.3,116 -4.05,119 37,120 4,121 2,125 4,130 1,142 8,143 1,144 4,145 1,147 1,150 1,172 6,174 2,175 6,178 5,180 8,183 8,186 1,187 8,192 6,195 3,199 14,202 1,203 1,204 3,207 2,212 11,215 3,216 1,217 2,220 9,224 5,229 4,232 7,236 4,237 3,240 1,242 7,245 12,250 3,253 1,255 2,258 10,262 2,263 4,266 4,267 1,271 9,275 2967,276 24.159,277 24.159,278 24.159,279 24.159,280 24.159,281 21.673,282 38.907,283 14.205,284 24.832,285 19.81,286 19.81,287 19.81,288 19.81,289 19.81,290 16.019,291 60.338,292 6.843,293 20.944,294 4.586,295 2.559,296 1.429,297 1.025,298 0.987,299 0.987,300 4.33,305 1,306 1286,307 4.69,310 129.463,311 413.698,318 2.793,319 37.72,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.71,330 80,331 605,332 4.875,333 4.691,334 7.355,335 4.393,336 3.462,337 4.71,338 0.86,339 12.764,340 3.215,341 4.278,342 3.18,343 6.348,344 3.927,345 2.968,346 3.92,347 0.8,348 9.713,349 2.825,350 4.053,351 3.08,352 6.116,353 3.85,354 2.905,355 3.635,356 0.4,357 8.997,358 2.743,359 4.028,360 2.946,361 5.584,362 3.632,363 2.674,364 3.424,365 0.4,366 7.669,367 2.563,368 3.829,369 2.827,370 5.38,371 3.469,372 2.541,373 3.019,375 7.068,376 2.356,377 3.611,378 2.666,379 5.354,380 3.387,381 2.427,382 2.921,384 6.985,385 2.339,386 3.53,387 2.481,388 5.274,389 3.225,390 2.282,391 2.599,393 6.721,394 2.133,395 3.302,396 2.094,397 4.901,398 2.867,399 1.93,400 2.526,402 5.645,403 1.799,404 3.055,405 1.746,406 4.679,407 2.6,408 1.625,409 2.249,411 4.64,412 1.581,413 2.795,414 1.615,415 4.159,416 2.38,417 1.414,418 1.915,420 3.671,421 1.361,422 2.61,423 1.465,424 3.609,425 2.301,426 1.353,427 1.654,428 3.011,429 1.278,430 2.5,431 1.208,432 3.514,433 2.108,434 1.114,435 1.5,436 2.545,437 1.105,438 2.449,439 1.176,440 3.414,441 2,442 1,443 1.448,445 2.275,446 1,447 1.996,448 1,449 3.281,450 1.865,451 0.942,452 0.978,454 2.074,455 0.861,456 1.628,457 0.744,458 3.222,459 1.591,460 0.618,461 0.618,463 1.372,464 0.6,465 17.733,466 0.479,467 1.187,468 0.032,469 46.5,470 1.257,471 22.5,472 0.608,473 24,474 0.649,475 36.06,476 0.975,477 41.667,478 0.571,479 38.172,480 1.032,481 8.57,482 0.232,483 9.001,484 0.243,485 0.15,486 0.075,487 0.22,493 0.719,494 1.52,495 0.881,496 1.309,497 0.729,498 1.07,499 0.79,500 1.115,501 0.851,502 0.985,503 0.506,504 0.939,505 1.222,506 1.245,507 1.186,508 1.163,509 0.945,510 1.153,511 1.121,512 0.95,513 1.18,514 1.079,515 1.11,516 0.835,517 1.818,518 0.874,519 1.063,520 0.797,521 2.326,522 0.883,523 1.125,524 1.135,525 0.958,526 0.987,527 0.964,528 1.074,529 0.508,530 1.033,531 0.805,532 0.961,533 0.459,534 1.012,535 0.81,536 1.214,537 1.129,538 1.266,539 0.742,540 1.167,541 10.5,542 0.301,543 3.556,544 2.66,545 1.801,546 1.08,547 0.94,548 0.66,549 0.432,550 0.325,551 24047,552 57016,553 2.026,554 49.3,555 3,556 16,558 1,559 3,561 13,564 1.776,565 1.881,566 3.948,567 0.809,573 117.093,574 1.604,575 3.63,576 4.761,577 5.165,578 5.203,579 5.203,580 3.422,581 4.757,582 5.176,583 4.193,584 2792.67,585 9.083,586 48931,591 451.857,592 1.595,593 5.121,594 0.262,595 0.008,596 0.062,597 0.051,598 0.035,599 0.022,600 0.02,601 0.014,602 0.01,603 0.009,604 0.493,605 0.17,606 0.63,607 0.989,608 209.085,609 0.058,610 -0.223,611 0.187,612 -0.097,613 -0.15,615 0.243,616 0.031,617 0.122,618 0.041,619 0.343,620 0.055,621 -0.14,622 -0.145,623 -0.125,624 -0.124,625 -0.057,626 -0.174,627 -0.014,628 0.021,629 0.056,630 0.021,631 0.093,632 0.154,633 -0.192,634 0.098,635 -0.094,636 0.122,637 -0.238,638 0.048,639 -0.171,640 -0.069,641 -0.098,642 -0.031,643 -0.155,644 -0.082,645 0.187,646 -0.006,647 0.083,648 0.011,649 0.127,650 -0.004,651 -0.015,652 -0.164,653 -0.103,654 -0.217,655 0.012,656 -0.156,657 4.57,658 5.733,659 0.622,660 54.171,661 0.999,662 1.134,663 3.134,664 9.82,665 0.65,666 3.714,667 4.06,668 4.205,669 4.443,670 4.575,671 4.585,672 4.745,673 4.836,674 4.963,675 5.037,676 9.572,677 0.608,678 524.76,679 3.714,680 5.273,681 6.089,682 6.971,683 7.801,684 8.682,685 9.52,686 10.401,687 11.244,688 12.124,689 8.2,691 1,692 1,697 2,699 2,704 9,705 2,709 7,711 18,724 2,729 1,731 73,733 20,734 2,735 40,737 76,738 27,739 16,740 4,741 8,746 4,747 4,752 4,755 2,758 2,761 16,762 11,763 1,766 2,769 1,771 2,781 36,782 9,783 3,784 10,785 1,790 6,794 1,795 3,806 1,808 1,811 1,812 3,836 1,840 4,842 1,844 4,848 37,852 1,854 6,855 3,856 1,859 1,860 1,870 4.1,873 2,875 1,877 19.667,878 14.017,879 7.861,880 4.35,881 3.545,882 1.437,883 0.964,884 8.705,885 11.661,886 3.951,887 4.549,888 4.968,889 5.486,890 5.979,891 6.102,892 6.499,893 6.833,894 7.231,895 7.58,896 0.909,897 52,898 13.95,900 6.082,901 7.712,902 26.502,904 21.758,905 2.212,906 81.833,910 388.446,911 161.664,912 89.122,914 55.313,916 5.807,917 155.857,918 443.759,919 89.122,920 35.301,921 15.979,922 98.022,923 89.655,924 74.686,925 4.227,926 376.675,928 388.446,929 244.979,930 55.313,931 5.807,933 235.422,934 208.337,937 117.777,938 93.631,939 39.378,941 388.446,942 144.435,943 161.664,945 5.807,946 388.446,947 35.699,948 123.283,949 52.426,950 88.884,951 388.446,952 144.435,953 161.664,955 0.591,956 0.311,957 0.164,958 0.083,959 26,960 12,961 0.145,962 11,964 1,965 4.817,966 337.331,968 23,969 175.995,973 1,974 27.337,975 11.782,976 8.141,978 144.435,979 16.084,980 8.979,984 4.288,986 52.426,987 694.546,988 51,991 -3.654,993 25.467,999 72.923,1000 82.766,1001 0.259,1002 0.587,1003 0.769,1004 0.834,1005 0.841,1006 0.841,1007 5.212,1008 1.93,1009 6.125,1010 6.721,1011 4.745,1012 5.236,1013 1.406,1014 6.946,1015 4.636,1016 6.444,1017 1.625,1018 7.698,1019 5.645,1020 4.575,1021 5.286,1022 0.325,1023 8.148,1024 4.397,1025 7.784,1026 1.414,1027 9.383,1028 4.64,1029 6.428,1030 7.476,1031 0.977,1032 11.101,1033 6.196,1034 9.161,1035 1.353,1036 11.138,1037 3.671,1038 7.022,1039 8.306,1040 0.268,1041 13.112,1042 6.712,1043 10.572,1044 1.114,1045 12.94,1046 3.011,1047 8.424,1048 10.069,1049 0.74,1050 15.723,1051 8.06,1052 12.008,1053 1,1054 14.777,1055 2.545,1056 9.347,1057 11.257,1058 0.188,1059 18.053,1060 8.901,1061 13.463,1062 0.942,1063 16.64,1064 2.275,1065 10.598,1066 12.868,1067 0.571,1068 20.591,1069 10.093,1070 3.462,1071 0.618,1072 18.525,1073 2.074,1074 11.672,1075 14.232,1076 0.125,1077 23.047,1078 11.084,1079 2.968,1080 12.764,1081 20.428,1082 1.372,1083 12.878,1084 15.788,1085 0.439,1086 25.577,1087 12.224,1088 2.905,1089 9.713,1090 22.346,1091 4.71,1092 14.025,1093 17.241,1094 0.082,1095 28.084,1096 13.288,1097 2.674,1098 8.997,1099 24.277,1100 3.92,1101 15.225,1102 18.78,1103 0.334,1104 30.617,1105 14.416,1106 2.541,1107 7.669,1108 26.219,1109 3.635,1110 16.408,1111 20.277,1112 0.054,1113 33.145,1114 15.518,1115 2.427,1116 7.068,1117 28.169,1118 3.424,1119 17.614,1120 21.814,1121 0.252,1122 35.684,1123 16.648,1124 2.282,1125 6.985,1126 30.127,1127 3.019,1128 18.818,1129 23.334,1130 0.035,1131 38.221,1132 17.771,1133 23005,1134 35731,1135 26.118,1136 47.466,1137 59.697,1138 60.566,1139 59.67,1140 59.577,1141 59.554,1142 75.473,1143 4.92,1144 172.829,1145 56.49,1146 5.834,1147 6.691,1148 7.013,1149 5.484,1150 5.462,1151 7.71,1152 1.72,1153 20.441,1154 5.215,1155 20.779,1156 1.492,1157 1.514,1158 1.492,1159 1.489,1160 1.489,1161 1.887,1162 0.123,1163 4.321,1164 1.412,1165 4.095,1166 4.093,1167 4.737,1168 4.071,1169 7.717,1170 3.99,1171 3.952,1172 3.981,1173 3.925,1174 3.844,1175 6.999,1176 3.846,1177 3.856,1178 3.921,1179 3.803,1180 3.706,1181 5.025,1182 3.71,1183 3.819,1184 3.86,1185 3.714,1186 3.678,1187 4.832,1188 3.675,1189 3.721,1190 3.775,1191 3.664,1192 3.604,1193 4.699,1194 3.591,1195 3.509,1196 3.502,1197 3.491,1198 3.414,1199 4.406,1200 3.344,1201 3.405,1202 3.466,1203 3.252,1204 3.207,1205 4.367,1206 3.205,1207 3.19,1208 3.278,1209 3.055,1210 2.976,1211 4.255,1212 2.989,1213 0.122,1214 0.117,1215 0.184,1216 0.11,1217 0.087,1218 4.875,1219 0.118,1220 4.691,1221 0.022,1222 7.355,1223 0.319,1224 4.393,1225 0.08,1226 3.462,1227 4.71,1228 0.86,1229 12.764,1230 3.215,1231 1.972,1232 1.975,1233 2.011,1234 2.071,1235 1.224,1236 2.091,1237 1.892,1238 1.865,1239 1.989,1240 2.016,1241 1.211,1242 2.017,1243 1.774,1244 1.735,1245 1.955,1246 1.937,1247 1.152,1248 1.942,1249 1.71,1250 1.656,1251 1.868,1252 1.868,1253 1.108,1254 1.881,1255 1.59,1256 1.516,1257 1.86,1258 1.821,1259 1.058,1260 1.828,1261 1.577,1262 1.507,1263 1.824,1264 1.751,1265 0.954,1266 1.793,1267 1.358,1268 1.384,1269 1.511,1270 1.52,1271 0.787,1272 1.57,1273 1.206,1274 1.136,1275 1.423,1276 1.475,1277 0.553,1278 1.485,1279 4.394,1281 5.733,1282 2.398,1283 7.236,1284 4.443,1285 8.815,1286 6.26,1287 10.435,1289 7.312,1295 6.521,1296 9.113,1297 5.877,1300 2.425,1301 -0.579,1305 44.362,1306 117.093,1307 265.024,1308 347.553,1309 377.063,1310 379.818,1311 379.818,1312 82.179,1313 8.116,1314 108.48,1315 116.86,1316 23,1317 12.668,1318 4.392,1319 3.585,1320 65.257,1321 211,1322 223,1323 0.146,1324 277.729,1325 480.64,1326 669.419,1327 46497,1329 26.468,1330 0.715,1331 0.614,1332 26.718,1333 22.73,1334 17.571,1335 0.439,1336 0.351,1337 12.501,1338 16.151,1339 11.917,1340 9.999,1341 18.393,1342 14.027,1343 17.312,1344 0.304,1345 0.21,1346 18.598,1347 11.963,1348 12.314,1349 0.187,1350 0.115,1351 13.49,1352 7.56,1353 10.431,1354 0.124,1355 0.065,1356 11.676,1357 5.495,1358 7.585,1359 0.079,1360 0.033,1361 8.295,1362 3.138,1363 0.239,1364 118.193,1365 0.196,1366 34.67,1367 0.374,1368 194,1369 540.001,1370 250.97,1371 544.362,1372 743.53,1373 504,1374 220,1375 527.459,1376 286.601,1377 572.29,1378 826.19,1379 533,1380 5}
{0 CHEMBL1288654,1 1.597,2 7.842,3 2.102,4 4.417,5 72.63,6 7.568,7 0.571,8 3.652,9 3.762,10 3.237,11 3.146,12 4.769,13 3.15,14 4.174,15 4.343,16 3.552,17 3.502,18 5.262,19 3.486,20 4.382,21 4.592,22 3.541,23 3.605,24 5.391,25 3.548,26 4.329,27 4.57,28 3.4,29 3.509,30 5.314,31 3.435,32 4.238,33 4.471,34 3.362,35 3.437,36 5.32,37 3.365,38 4.115,39 4.332,40 3.179,41 3.345,42 5.095,43 3.256,44 4.042,45 4.274,46 2.989,47 3.195,48 5.019,49 3.076,50 3.933,51 4.197,52 2.693,53 3.013,54 4.764,55 2.869,56 0.044,57 0.51,58 6.883,59 2.946,60 6.949,61 3.771,62 0.248,63 0.807,64 13.311,65 4.679,66 18.307,67 6.099,68 0.314,69 0.93,70 17.585,71 5.72,72 26.211,73 7.994,74 0.229,75 0.893,76 16.892,77 5.165,78 25.119,79 7.707,80 0.34,81 0.799,82 15.492,83 4.843,84 33.327,85 7.129,86 0.145,87 0.696,88 13.179,89 4.793,90 17.151,91 6.686,92 0.229,93 0.6,94 12.849,95 4.668,96 23.013,97 6.563,98 0.143,99 0.506,100 12.032,101 4.263,102 16.319,103 6.051,104 2,105 28,106 0.296,107 0.632,108 0.771,109 0.834,110 0.834,111 0.834,112 3.011,113 0.897,114 -2.94,115 -2.95,116 -2.85,119 41.2,125 4,142 5,143 1,144 1,145 1,146 1,150 1,172 4,174 3,175 3,180 2,183 5,186 1,187 2,192 2,195 4,199 4,204 1,207 1,211 2,212 5,215 1,217 1,220 1,224 2,237 4,240 2,250 2,263 1,275 395,276 13.137,277 13.137,278 13.137,279 13.137,280 13.137,281 11.725,282 12.611,283 8.016,284 13.567,285 10.409,286 10.409,287 10.409,288 10.409,289 10.409,290 8.329,291 16.024,292 3.838,293 11.101,294 3.49,295 1.68,296 0.93,297 0.588,298 0.588,299 0.588,300 3.695,303 1,304 1,305 1,306 323,307 1.581,311 171.741,318 1.235,319 16.628,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 41.5,331 149,332 4.319,333 3.149,334 6.273,335 3.929,336 2.977,337 3.971,338 0.86,339 9.529,340 2.857,341 3.989,342 2.877,343 6.027,344 3.663,345 2.725,346 3.483,347 0.8,348 8.678,349 2.531,350 3.587,351 2.481,352 5.057,353 3.21,354 2.258,355 2.887,357 6.112,358 2.143,359 3.109,360 2.272,361 4.543,362 2.774,363 1.858,364 2.263,366 4.72,367 1.698,368 2.798,369 1.736,370 4.111,371 2.411,372 1.474,373 1.887,375 3.588,376 1.373,377 2.671,378 1.344,379 3.529,380 2.198,381 1.237,382 1.736,384 2.737,385 1.185,386 2.5,387 1.256,388 3.462,389 1.956,390 1,391 1.5,393 2.454,394 0.953,395 2.19,396 1.149,397 3.428,398 1.952,399 1,400 1.159,402 2.368,403 0.946,404 2,405 1,406 3.247,407 1.896,408 1,409 1,411 2.136,412 0.89,413 0.981,414 -0.057,415 2.531,416 0.562,417 -0.384,418 -0.493,420 -0.86,421 -0.357,422 0.847,423 -0.327,424 2.398,425 0.452,426 -0.48,427 -0.564,428 -1.139,429 -0.445,430 0.716,431 -0.36,432 2,433 0.348,434 -0.599,435 -0.75,436 -1.594,437 -0.566,438 0.5,439 -0.538,440 1.721,441 -0.024,442 -1,443 -1,445 -2.347,446 -0.846,447 0.205,448 -0.915,449 1.568,450 -0.066,451 -1,452 -1.235,454 -2.395,455 -0.932,457 -1,458 1.555,459 -0.149,460 -1,461 -1.5,463 -2.722,464 -0.975,465 8.867,466 0.467,467 0.346,468 0.018,469 26,470 1.368,471 13,472 0.684,473 13,474 0.684,475 11.818,476 0.622,477 20.533,478 0.604,479 16.366,480 0.861,481 5.253,482 0.276,483 4.073,484 0.214,485 0.038,487 0.271,493 0.939,494 1.458,495 0.769,496 1.155,497 0.928,498 0.97,499 1.159,500 0.969,501 0.967,502 0.929,503 0.739,504 0.915,505 1.114,506 1.102,507 1.029,508 0.952,509 0.989,510 0.97,511 0.89,512 1.097,513 1.006,514 0.966,515 0.914,516 0.975,517 0.738,518 0.888,519 0.959,520 0.867,521 0.795,522 0.923,523 0.855,524 1.133,525 1.061,526 1.192,527 0.88,528 1.162,529 0.698,530 1.023,531 1.017,532 1.17,533 0.785,534 1.168,535 0.802,536 0.893,537 0.988,538 1.11,539 0.755,540 1.089,541 3,542 0.012,543 1.778,544 0.813,545 0.556,546 0.556,547 0.223,548 0.097,549 0.082,550 0.041,551 3327,552 9111,553 2.145,554 44.1,556 13,558 1,559 1,564 1.603,565 2.073,566 3.035,567 -0.249,569 1,570 1,571 1,573 54.313,574 1.597,575 3.407,576 4.158,577 4.499,578 4.499,579 4.499,580 2.484,581 4.037,582 4.222,583 3.111,584 531.986,585 7.192,586 5178.43,587 1,588 1,590 1,591 172.974,592 1.105,593 4.207,594 0.143,595 0.006,596 0.063,597 0.03,598 0.024,599 0.025,600 0.012,601 0.007,602 0.008,603 0.007,604 0.326,605 0.83,606 1,607 0.447,608 81.893,609 -0.08,610 -0.29,611 0.053,612 -0.102,613 -0.096,614 -0.02,615 -0.085,616 0.148,617 -0.052,618 0.037,619 0.01,620 -0.001,621 -0.12,622 -0.079,623 -0.077,624 0.009,625 -0.085,626 -0.024,627 -0.121,628 -0.056,629 -0.056,630 -0.037,631 -0.089,632 -0.025,633 0.12,634 0.152,635 -0.001,636 0.07,637 0.085,638 0.025,639 -0.078,640 -0.135,641 -0.138,642 -0.197,643 -0.057,644 -0.176,645 0.16,646 -0.103,647 -0.056,648 -0.168,649 0.094,650 -0.161,651 0.002,652 -0.034,653 0.003,654 -0.111,655 0.011,656 -0.056,657 1.427,658 3.522,659 0.947,660 12.094,661 1.008,662 1.13,663 1.712,664 2.932,665 0.662,666 3.091,667 3.367,668 3.611,669 3.85,670 4.078,671 4.007,672 4.127,673 4.143,674 4.174,675 4.111,676 4.809,677 0.637,678 257.32,679 3.091,680 4.595,681 5.425,682 6.279,683 7.125,684 7.984,685 8.838,686 9.699,687 10.555,688 11.417,689 8.8,695 1,699 2,704 6,705 2,709 4,711 12,726 1,728 1,731 34,733 12,734 1,735 21,737 36,738 14,739 10,740 2,741 4,746 3,747 3,761 10,762 4,778 1,781 15,782 5,783 1,784 5,790 3,794 1,795 2,806 1,812 3,839 1,840 3,848 19,853 1,854 4,856 1,859 1,870 5.9,872 1,874 1,877 9.167,878 5.967,879 4.222,880 1.996,881 2.281,882 1.35,883 0.955,884 3.51,885 8.79,886 3.332,887 3.871,888 4.413,889 4.965,890 5.513,891 5.643,892 6.045,893 6.324,894 6.61,895 6.745,896 1,897 27,898 6.995,900 2.924,901 7.719,902 13.412,904 10.813,905 2.219,906 42.167,907 0.001,910 164.795,911 77.666,912 36.695,914 53.683,917 77.666,918 218.479,919 36.695,921 13.396,922 47.381,923 99.025,924 18.114,925 1.899,926 153.024,928 164.795,929 114.362,930 53.683,933 164.795,934 42.683,935 11,937 27.099,938 53.691,939 33.571,941 164.795,942 90.379,943 77.666,946 164.795,947 21.238,948 59.553,950 87.254,951 164.795,952 90.379,953 77.666,955 0.568,956 0.326,957 0.181,958 0.102,959 14,960 5,961 0.056,962 2,964 1,965 3.222,966 138.598,968 18,969 76.711,974 12.24,975 5.449,976 2.791,978 90.379,979 10.668,980 8.864,984 2.65,986 42.683,987 332.84,988 27,999 34.262,1000 38.405,1001 0.314,1002 0.67,1003 0.817,1004 0.884,1005 0.884,1006 0.884,1007 4.533,1008 1,1009 5.371,1010 2.454,1011 4.043,1012 4.554,1013 1.235,1014 6.12,1015 3.925,1016 5.692,1017 1,1018 6.882,1019 2.368,1020 3.434,1021 4.111,1022 0.325,1023 6.88,1024 3.256,1025 6.961,1026 -0.384,1027 8.497,1028 2.136,1029 5.565,1030 6.651,1031 0.938,1032 9.976,1033 5.341,1034 8.265,1035 -0.48,1036 10.174,1037 -0.86,1038 5.802,1039 7.037,1040 0.268,1041 11.6,1042 5.523,1043 9.604,1044 -0.599,1045 11.893,1046 -1.139,1047 7.366,1048 9.032,1049 0.732,1050 14.165,1051 7.045,1052 10.966,1053 -1,1054 13.64,1055 -1.594,1056 8.019,1057 9.835,1058 0.188,1059 16.136,1060 7.647,1061 12.346,1062 -1,1063 15.406,1064 -2.347,1065 9.318,1066 11.555,1067 0.57,1068 18.503,1069 8.905,1070 2.977,1071 -1,1072 17.187,1073 -2.395,1074 10.181,1075 12.589,1076 0.125,1077 20.621,1078 9.721,1079 2.725,1080 9.529,1081 18.978,1082 -2.722,1083 11.355,1084 14.159,1085 0.438,1086 22.909,1087 10.855,1088 2.258,1089 8.678,1090 20.776,1091 3.971,1092 12.324,1093 15.328,1094 0.082,1095 25.092,1096 11.78,1097 1.858,1098 6.112,1099 22.58,1100 3.483,1101 13.441,1102 16.813,1103 0.334,1104 27.349,1105 12.857,1106 1.474,1107 4.72,1108 24.388,1109 2.887,1110 14.464,1111 18.062,1112 0.054,1113 29.561,1114 13.837,1115 1.237,1116 3.588,1117 26.199,1118 2.263,1119 15.556,1120 19.499,1121 0.252,1122 31.807,1123 14.891,1124 1,1125 2.737,1126 28.013,1127 1.887,1128 16.606,1129 20.797,1130 0.035,1131 34.033,1132 15.899,1133 3212,1134 5397,1135 14.504,1136 22.495,1137 31.181,1138 31.285,1139 31.354,1140 31.092,1141 31.058,1142 39.771,1143 3.32,1144 84.645,1145 29.151,1146 5.319,1147 5.149,1148 6.075,1149 5.032,1150 4.977,1151 6.971,1152 1.72,1153 16.003,1154 4.857,1155 5.283,1156 1.485,1157 1.49,1158 1.493,1159 1.481,1160 1.479,1161 1.894,1162 0.158,1163 4.031,1164 1.388,1165 3.989,1166 4.026,1167 3.945,1168 3.895,1169 6.471,1170 3.9,1171 3.8,1172 3.846,1173 3.722,1174 3.617,1175 4.999,1176 3.638,1177 3.611,1178 3.659,1179 3.513,1180 3.435,1181 4.613,1182 3.446,1183 3.111,1184 3.206,1185 2.889,1186 2.941,1187 4.561,1188 2.91,1189 2.969,1190 3.008,1191 2.866,1192 2.777,1193 3.929,1194 2.793,1195 2.92,1196 2.97,1197 2.796,1198 2.745,1199 3.862,1200 2.743,1201 2.851,1202 2.918,1203 2.729,1204 2.634,1205 3.509,1206 2.656,1207 2.481,1208 2.576,1209 2.319,1210 2.179,1211 3.474,1212 2.198,1213 0.206,1214 0.15,1215 0.299,1216 0.187,1217 0.142,1218 4.319,1219 0.189,1220 3.149,1221 0.041,1222 6.273,1223 0.454,1224 3.929,1225 0.136,1226 2.977,1227 3.971,1228 0.86,1229 9.529,1230 2.857,1231 1.936,1232 1.911,1233 2.026,1234 2.061,1235 1.201,1236 2.048,1237 1.736,1238 1.683,1239 1.919,1240 1.942,1241 1.098,1242 1.94,1243 1.561,1244 1.514,1245 1.717,1246 1.755,1247 0.825,1248 1.746,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.718,1254 1.429,1255 0.889,1256 0.849,1257 1.144,1258 1.157,1259 0.267,1260 1.137,1261 0.882,1262 0.832,1263 1.106,1264 1.134,1265 0.181,1266 1.129,1267 0.802,1268 0.735,1269 1.072,1270 1.032,1271 0.111,1272 1.052,1273 0.423,1274 0.325,1275 0.785,1276 0.741,1278 0.751,1279 3.761,1281 5.043,1283 6.538,1285 8.121,1287 9.745,1294 9.522,1295 3.034,1297 5.322,1300 2.107,1305 21.655,1306 54.313,1307 115.854,1308 141.364,1309 152.974,1310 152.974,1311 152.974,1312 22.446,1313 6.509,1314 58.48,1315 58.48,1316 18,1317 11.967,1318 3.7,1319 2.807,1320 27.763,1321 55,1322 48,1323 0.254,1324 133.694,1325 226.62,1326 317.973,1327 5089,1329 13.079,1330 0.688,1331 0.552,1332 13.079,1333 10.49,1334 9.326,1335 0.444,1336 0.299,1337 6.165,1338 8.884,1339 6.073,1340 4.984,1341 9.326,1342 6.279,1343 8.117,1344 0.29,1345 0.157,1346 8.117,1347 4.392,1348 6.715,1349 0.187,1350 0.086,1351 6.715,1352 3.079,1353 5.638,1354 0.123,1355 0.045,1356 5.638,1357 2.09,1358 4.657,1359 0.08,1360 0.024,1361 4.657,1362 1.388,1363 0.388,1364 58.974,1365 0.263,1366 18.904,1367 0.726,1368 98,1369 300.821,1370 109.338,1371 286.261,1372 391.36,1373 270,1374 113,1375 284.765,1376 124.424,1377 286.509,1378 418.48,1379 270,1380 6.585}
{0 CHEMBL1289075,1 1.629,2 8.885,3 3.05,4 9.305,5 97.027,6 7.964,7 0.621,8 3.919,9 4.019,10 3.547,11 3.419,12 5.078,13 3.436,14 4.426,15 4.578,16 3.877,17 3.767,18 5.577,19 3.77,20 4.638,21 4.827,22 3.876,23 3.86,24 5.702,25 3.831,26 4.581,27 4.798,28 3.8,29 3.785,30 5.63,31 3.746,32 4.531,33 4.731,34 3.863,35 3.784,36 5.672,37 3.769,38 4.529,39 4.688,40 3.863,41 3.82,42 5.616,43 3.81,44 4.595,45 4.769,46 3.865,47 3.877,48 5.723,49 3.829,50 4.653,51 4.86,52 3.719,53 3.919,54 5.612,55 3.821,56 0.079,57 0.658,58 8.059,59 3.778,60 9.174,61 4.49,62 0.353,63 1.039,64 15.762,65 5.936,66 24.394,67 7.208,68 0.505,69 1.196,70 21.784,71 7.372,72 37.593,73 9.42,74 0.408,75 1.161,76 20.849,77 6.816,78 34.505,79 9.418,80 0.459,81 1.124,82 19.304,83 6.286,84 40.714,85 8.43,86 0.346,87 1.104,88 18.062,89 6.547,90 26.484,91 7.917,92 0.615,93 1.162,94 19.947,95 7.518,96 41.332,97 9.58,98 0.282,99 1.207,100 21.663,101 8.832,102 27.832,103 11.748,104 2,105 39,106 0.281,107 0.608,108 0.769,109 0.854,110 0.862,111 0.862,112 3.305,113 0.866,114 -3.48,115 -3.45,116 -3.3,119 43.2,125 4,142 7,143 1,144 2,145 2,146 1,147 1,150 1,172 5,174 4,175 6,180 2,183 5,186 2,187 4,192 2,195 4,198 2,199 6,204 1,207 2,211 3,212 9,215 1,217 1,220 2,224 5,232 1,236 3,237 8,240 3,245 3,250 4,258 3,263 3,268 1,271 2,275 960,276 18.016,277 18.016,278 18.016,279 18.016,280 18.016,281 15.88,282 19.081,283 11.022,284 18.629,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 11.245,291 25.869,292 5.349,293 15.424,294 3.83,295 1.93,296 0.992,297 0.5,298 0.455,299 0.455,300 4.008,303 1,304 1,305 1,306 505,307 2.121,311 331.254,318 1.219,319 24.782,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 231,332 4.378,333 3.228,334 6.319,335 3.977,336 3.034,337 4.047,338 0.86,339 9.732,340 2.885,341 4.038,342 2.986,343 6.033,344 3.673,345 2.728,346 3.589,347 0.86,348 8.707,349 2.552,350 3.905,351 2.863,352 5.552,353 3.515,354 2.595,355 3.424,356 0.8,357 7.591,358 2.385,359 3.619,360 2.506,361 5.125,362 3.246,363 2.295,364 2.896,366 6.335,367 2.175,368 3.416,369 2.28,370 4.944,371 2.993,372 2.056,373 2.712,375 5.764,376 1.915,377 2.96,378 2.2,379 4.415,380 2.643,381 1.749,382 2.088,384 4.383,385 1.557,386 2.833,387 1.605,388 4.135,389 2.374,390 1.431,391 1.949,393 3.57,394 1.345,395 2.786,396 1.443,397 3.587,398 2.298,399 1.339,400 1.887,402 3.015,403 1.279,404 2.548,405 1.337,406 3.491,407 2.06,408 1.114,409 1.571,411 2.613,412 1.051,413 2.5,414 1.256,415 3.469,416 1.956,417 1,418 1.5,420 2.476,421 0.953,422 2.198,423 1.046,424 3.247,425 1.952,426 1,427 1.171,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.913,434 1,435 1,436 2.136,437 0.905,438 1.294,439 0.303,440 2.87,441 0.889,447 0.98,448 -0.057,449 2.658,450 0.562,451 -0.384,452 -0.493,454 -0.869,455 -0.357,456 0.847,457 -0.323,458 2.49,459 0.453,460 -0.479,461 -0.563,463 -1.252,464 -0.445,465 12.1,466 0.465,467 0.482,468 0.019,469 37.5,470 1.442,471 19.5,472 0.75,473 18,474 0.692,475 17.446,476 0.671,477 27.5,478 0.625,479 26.788,480 1.03,481 7.554,482 0.291,483 5.222,484 0.201,485 0.028,487 0.281,493 0.932,494 1.422,495 0.721,496 1.14,497 0.919,498 0.934,499 1.11,500 1.013,501 0.921,502 0.968,503 0.745,504 0.914,505 1.231,506 1.065,507 1.04,508 0.942,509 1.072,510 0.952,511 0.873,512 1.086,513 0.913,514 0.947,515 0.898,516 0.923,517 0.92,518 0.92,519 0.865,520 0.813,521 0.837,522 0.807,523 1.378,524 1.179,525 1.093,526 1.059,527 1.092,528 1.02,529 0.82,530 0.936,531 1.049,532 1.025,533 0.692,534 1.077,535 0.735,536 1.113,537 1.068,538 1.232,539 0.763,540 1.224,541 4.5,542 0.062,543 1.778,544 1.188,545 1.018,546 0.736,547 0.549,548 0.278,549 0.148,550 0.126,551 7845,552 22062,553 2.172,554 40.9,556 15,558 2,559 1,564 1.699,565 2.108,566 3.156,567 -0.294,568 1,569 1,573 71.691,574 1.629,575 3.529,576 4.467,577 4.959,578 5.005,579 5.005,580 2.445,581 4.162,582 4.671,583 3.312,584 1076.53,585 8.137,586 13531.6,588 1,590 1,591 240.215,592 1.058,593 4.663,594 0.155,595 0.005,596 0.046,597 0.031,598 0.029,599 0.019,600 0.014,601 0.008,602 0.005,603 0.005,604 0.317,605 0.33,606 1,607 0.362,608 125.593,609 -0.082,610 -0.29,611 0.058,612 -0.122,613 -0.102,614 -0.027,615 -0.043,616 0.088,617 -0.031,618 -0.012,619 0.046,620 -0.022,621 -0.124,622 -0.054,623 -0.075,624 0.017,625 -0.108,626 -0.016,627 0.001,628 -0.051,629 0.052,630 -0.004,631 -0.026,632 0.033,633 0.045,634 0.156,635 0.085,636 0.118,637 0.077,638 0.116,639 -0.257,640 -0.127,641 -0.179,642 -0.095,643 -0.196,644 -0.113,645 0.197,646 0.092,647 -0.126,648 -0.044,649 0.147,650 -0.135,651 -0.045,652 -0.152,653 -0.147,654 -0.204,655 -0.052,656 -0.197,657 1.483,658 3.787,659 0.923,660 22.533,661 1.013,662 1.126,663 2.247,664 5.049,665 0.675,666 3.401,667 3.689,668 3.932,669 4.205,670 4.466,671 4.489,672 4.691,673 4.82,674 4.949,675 4.977,676 5.757,677 0.657,678 350.41,679 3.401,680 4.92,681 5.753,682 6.613,683 7.463,684 8.332,685 9.191,686 10.064,687 10.929,688 11.805,689 9.1,695 1,699 3,704 9,705 3,709 6,711 18,726 1,728 1,729 1,731 44,733 18,734 1,735 29,737 47,738 19,739 15,740 2,741 4,746 4,747 4,761 15,762 4,777 1,778 1,781 18,782 7,783 1,784 7,790 4,794 1,795 3,805 1,806 1,812 4,839 1,840 4,848 26,853 1,854 4,856 2,859 1,870 6.8,872 1,874 1,875 1,877 12.333,878 7.833,879 5.722,880 2.557,881 2.914,882 1.401,883 0.972,884 4.955,885 10.178,886 3.664,887 4.227,888 4.769,889 5.345,890 5.913,891 6.094,892 6.555,893 6.958,894 7.356,895 7.64,896 0.833,897 38,898 9.568,900 4.033,901 7.731,902 18.194,904 14.64,905 2.231,906 58,909 1,910 200.109,911 115.724,912 53.481,914 64.683,917 115.724,918 264.792,919 53.481,921 13.396,922 66.334,923 127.582,924 43.405,925 6.714,926 176.567,928 200.109,929 169.205,930 64.683,933 200.109,934 53.683,935 11,937 36.147,938 82.702,939 50.357,941 200.109,942 118.164,943 115.724,946 200.109,947 31.296,948 87.553,950 115.04,951 200.109,952 118.164,953 115.724,955 0.569,956 0.321,957 0.18,958 0.104,959 19,960 7,961 0.085,962 4,964 1,965 3.858,966 221.908,968 24,969 118.211,974 16.763,975 7.686,976 4.121,978 118.164,979 15.648,980 13.267,984 3.25,986 42.683,987 433.997,988 38,999 44.574,1000 49.528,1001 0.298,1002 0.646,1003 0.818,1004 0.908,1005 0.917,1006 0.917,1007 4.871,1008 1.339,1009 5.7,1010 3.57,1011 4.369,1012 4.913,1013 1.593,1014 6.45,1015 4.24,1016 6.042,1017 1.114,1018 7.209,1019 3.015,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.557,1025 7.315,1026 1,1027 8.814,1028 2.613,1029 5.894,1030 7.026,1031 1.294,1032 10.277,1033 5.643,1034 8.621,1035 1,1036 10.48,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.841,1042 5.788,1043 9.958,1044 1,1045 12.184,1046 2.136,1047 7.681,1048 9.401,1049 1.061,1050 14.425,1051 7.317,1052 11.317,1054 13.916,1055 2.136,1056 8.313,1057 10.179,1058 0.188,1059 16.357,1060 7.882,1061 12.693,1062 -0.384,1063 15.667,1065 9.618,1066 11.915,1067 0.861,1068 18.738,1069 9.145,1070 3.034,1071 -0.479,1072 17.432,1073 -0.869,1074 10.467,1075 12.932,1076 0.125,1077 20.841,1078 9.934,1079 2.728,1080 9.732,1081 19.209,1082 -1.252,1083 11.647,1084 14.515,1085 0.69,1086 23.142,1087 11.072,1088 2.595,1089 8.707,1090 20.994,1091 4.047,1092 12.611,1093 15.675,1094 0.082,1095 25.325,1096 11.98,1097 2.295,1098 7.591,1099 22.786,1100 3.589,1101 13.735,1102 17.171,1103 0.544,1104 27.596,1105 13.06,1106 2.056,1107 6.335,1108 24.584,1109 3.424,1110 14.759,1111 18.42,1112 0.054,1113 29.819,1114 14.032,1115 1.749,1116 5.764,1117 26.387,1118 2.896,1119 15.86,1120 19.866,1121 0.424,1122 32.08,1123 15.088,1124 1.431,1125 4.383,1126 28.194,1127 2.712,1128 16.916,1129 21.17,1130 0.035,1131 34.322,1132 16.095,1133 7387,1134 12522,1135 20.167,1136 29.716,1137 42.912,1138 43.174,1139 42.938,1140 42.771,1141 42.68,1142 55.666,1143 5.04,1144 116.915,1145 39.897,1146 5.378,1147 5.228,1148 6.121,1149 5.08,1150 5.034,1151 7.047,1152 1.72,1153 16.246,1154 4.885,1155 6.582,1156 1.48,1157 1.489,1158 1.481,1159 1.475,1160 1.472,1161 1.92,1162 0.174,1163 4.032,1164 1.376,1165 4.005,1166 4.038,1167 3.967,1168 3.9,1169 6.471,1170 3.909,1171 3.847,1172 3.879,1173 3.791,1174 3.729,1175 5.078,1176 3.74,1177 3.789,1178 3.839,1179 3.71,1180 3.603,1181 4.883,1182 3.625,1183 3.607,1184 3.649,1185 3.52,1186 3.43,1187 4.613,1188 3.444,1189 3.111,1190 3.206,1191 2.927,1192 2.941,1193 4.579,1194 2.91,1195 2.985,1196 3.01,1197 2.879,1198 2.805,1199 4.289,1200 2.823,1201 2.963,1202 3.007,1203 2.866,1204 2.746,1205 3.87,1206 2.756,1207 2.912,1208 2.962,1209 2.782,1210 2.729,1211 3.801,1212 2.741,1213 0.151,1214 0.111,1215 0.218,1216 0.137,1217 0.105,1218 4.378,1219 0.14,1220 3.228,1221 0.03,1222 6.319,1223 0.336,1224 3.977,1225 0.099,1226 3.034,1227 4.047,1228 0.86,1229 9.732,1230 2.885,1231 1.937,1232 1.913,1233 2.022,1234 2.067,1235 1.201,1236 2.049,1237 1.804,1238 1.773,1239 1.923,1240 1.946,1241 1.098,1242 1.943,1243 1.727,1244 1.673,1245 1.91,1246 1.939,1247 0.917,1248 1.932,1249 1.543,1250 1.502,1251 1.664,1252 1.736,1253 0.825,1254 1.718,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.696,1260 1.429,1261 0.91,1262 0.878,1263 1.144,1264 1.159,1265 0.266,1266 1.139,1267 0.883,1268 0.839,1269 1.12,1270 1.15,1271 0.183,1272 1.132,1273 0.866,1274 0.812,1275 1.106,1276 1.096,1277 0.154,1278 1.104,1279 4.078,1281 5.371,1283 6.866,1285 8.447,1287 10.072,1294 9.787,1295 2.711,1297 11.276,1300 2.061,1305 28.918,1306 71.691,1307 155.279,1308 196.564,1309 218.215,1310 220.215,1311 220.215,1312 33.835,1313 7.263,1314 80.6,1315 80.6,1316 24,1317 12.346,1318 4.248,1319 3.322,1320 37.658,1321 91,1322 86,1323 0.206,1324 176.271,1325 301.73,1326 421.86,1327 12643,1329 17.769,1330 0.683,1331 0.541,1332 17.769,1333 14.077,1334 12.776,1335 0.441,1336 0.289,1337 8.211,1338 12.145,1339 8.096,1340 6.655,1341 12.776,1342 8.369,1343 11.263,1344 0.289,1345 0.15,1346 11.263,1347 5.832,1348 9.229,1349 0.185,1350 0.08,1351 9.229,1352 3.984,1353 7.905,1354 0.12,1355 0.041,1356 7.905,1357 2.711,1358 6.64,1359 0.077,1360 0.021,1361 6.64,1362 1.815,1363 0.314,1364 80.941,1365 0.223,1366 24.818,1367 0.592,1368 136,1369 436.201,1370 153.377,1371 413.462,1372 568.92,1373 390,1374 157,1375 422.503,1376 174.298,1377 422.393,1378 617.39,1379 398,1380 7.301}
{0 CHEMBL1289076,1 1.579,2 9.667,3 2.882,4 8.308,5 105.593,6 7.572,7 0.6,8 3.989,9 4.107,10 3.573,11 3.493,12 5.104,13 3.493,14 4.507,15 4.68,16 3.891,17 3.858,18 5.59,19 3.835,20 4.729,21 4.941,22 3.897,23 3.971,24 5.725,25 3.908,26 4.729,27 4.979,28 3.809,29 3.9,30 5.698,31 3.823,32 4.654,33 4.886,34 3.864,35 3.879,36 5.697,37 3.827,38 4.625,39 4.825,40 3.864,41 3.921,42 5.647,43 3.873,44 4.733,45 4.949,46 3.868,47 3.989,48 5.728,49 3.901,50 4.826,51 5.08,52 3.758,53 3.992,54 5.706,55 3.875,56 0.049,57 0.741,58 9.654,59 4.023,60 8.865,61 5.258,62 0.298,63 1.168,64 18.334,65 6.48,66 23.714,67 8.62,68 0.345,69 1.367,70 24.452,71 8.122,72 33.056,73 11.485,74 0.368,75 1.365,76 25.44,77 7.788,78 36.815,79 11.608,80 0.405,81 1.281,82 23.166,83 7.064,84 40.079,85 10.558,86 0.277,87 1.299,88 21.076,89 6.818,90 25.184,91 9.664,92 0.374,93 1.353,94 24.282,95 8.847,96 34.624,97 12.669,98 0.363,99 1.369,100 28.747,101 10.263,102 37.523,103 14.502,104 2,105 40,106 0.267,107 0.62,108 0.792,109 0.868,110 0.868,111 0.868,112 3.34,113 0.892,114 -3.7,115 -3.67,116 -3.49,119 41.7,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 6,174 3,175 5,178 1,180 4,183 6,186 1,187 3,192 3,195 4,199 5,202 3,204 3,207 2,211 2,212 6,215 1,217 3,220 2,223 1,224 6,229 1,232 2,237 6,240 3,241 1,242 1,245 3,249 2,250 5,258 4,263 4,268 1,271 4,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 22.324,283 11.471,284 19.27,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 34.373,292 5.554,293 15.776,294 4.006,295 1.92,296 0.909,297 0.458,298 0.458,299 0.458,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 22.568,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 261,332 4.374,333 3.185,334 6.317,335 3.976,336 3.029,337 4.043,338 0.86,339 9.721,340 2.891,341 4.025,342 2.892,343 6.033,344 3.672,345 2.727,346 3.567,347 0.8,348 8.707,349 2.559,350 3.898,351 2.792,352 5.407,353 3.522,354 2.548,355 3.442,356 0.657,357 7.14,358 2.483,359 3.641,360 2.56,361 5.254,362 3.307,363 2.357,364 2.899,366 6.713,367 2.228,368 3.454,369 2.299,370 4.996,371 3.061,372 2.117,373 2.743,375 5.913,376 1.992,377 2.962,378 2.244,379 4.432,380 2.661,381 1.764,382 2.102,384 4.428,385 1.579,386 2.893,387 1.636,388 4.137,389 2.448,390 1.493,391 2.013,393 3.577,394 1.423,395 2.789,396 1.507,397 3.635,398 2.326,399 1.365,400 1.887,402 3.134,403 1.308,404 2.551,405 1.338,406 3.492,407 2.074,408 1.126,409 1.575,411 2.621,412 1.065,413 2.5,414 1.256,415 3.469,416 1.956,417 1,418 1.5,420 2.476,421 0.954,422 2.2,423 1.05,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.914,434 1,435 1,436 2.136,437 0.906,438 1.822,439 0.796,440 3.12,441 1.537,442 0.604,443 0.714,445 1.432,446 0.562,447 0.99,448 -0.057,449 2.662,450 0.565,451 -0.378,452 -0.487,454 -0.867,455 -0.352,456 0.929,457 -0.185,458 2.545,459 0.546,460 -0.401,461 -0.501,463 -1.033,464 -0.376,465 12.667,466 0.469,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 19.045,476 0.705,477 28.733,478 0.599,479 27.229,480 1.008,481 7.657,482 0.284,483 5.619,484 0.208,485 0.026,487 0.268,493 0.965,494 1.434,495 0.779,496 1.117,497 0.926,498 0.95,499 1.148,500 1.01,501 0.972,502 0.953,503 0.766,504 0.936,505 1.109,506 1.199,507 1.045,508 1.042,509 1.019,510 1.035,511 0.879,512 0.998,513 0.986,514 0.933,515 0.924,516 0.951,517 0.834,518 1.034,519 0.882,520 0.847,521 0.763,522 0.851,523 1.11,524 1.119,525 1.133,526 1.036,527 0.966,528 1.055,529 0.602,530 1.114,531 0.991,532 1.154,533 0.586,534 1.137,535 0.844,536 0.825,537 0.964,538 0.991,539 0.823,540 0.998,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 23741,553 2.165,554 43.8,556 17,558 2,559 2,564 1.707,565 2.104,566 3.272,567 0.267,568 1,569 1,573 75.791,574 1.579,575 3.665,576 4.676,577 5.127,578 5.127,579 5.127,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 268.078,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.084,610 -0.255,611 0.052,612 -0.078,613 -0.088,614 -0.006,615 -0.064,616 0.114,617 -0.055,618 0.018,619 0.016,620 -0.017,621 -0.113,622 -0.167,623 -0.091,624 -0.07,625 -0.107,626 -0.08,627 -0.035,628 0.039,629 -0.009,630 -0.003,631 -0.07,632 0.001,633 0.074,634 0.022,635 0.086,636 0.091,637 0.105,638 0.094,639 -0.198,640 0.007,641 -0.212,642 -0.092,643 -0.153,644 -0.136,645 0.184,646 -0.096,647 -0.059,648 -0.153,649 0.153,650 -0.148,651 0.002,652 0.096,653 0.021,654 0.017,655 0.006,656 0.024,657 1.455,658 3.821,659 0.889,660 25.317,661 1.005,662 1.13,663 2.474,664 6.123,665 0.667,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.641,678 363.46,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 10.4,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 48,733 18,734 1,735 30,737 51,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 21,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,855 1,856 1,859 1,870 4.2,872 1,874 1,877 12.833,878 8.417,879 5.972,880 2.786,881 2.885,882 1.394,883 0.978,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.947,900 4.168,901 7.667,902 19.108,904 15.451,905 2.167,906 58.5,909 1,910 223.651,911 113.285,912 71.492,914 53.683,917 113.285,918 277.334,919 71.492,921 15.502,922 66.334,923 145.593,924 30.347,925 4.227,926 200.109,928 223.651,929 184.777,930 53.683,933 223.651,934 42.683,935 11,937 38.253,938 78.157,939 68.367,941 223.651,942 125.175,943 113.285,946 223.651,947 28.857,948 87.553,949 18.011,950 104.04,951 223.651,952 125.175,953 113.285,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.098,962 5,964 1,965 3.982,966 230.128,968 24,969 124.382,974 17.712,975 8.336,976 4.536,978 125.175,979 16.493,980 13.545,984 4.278,986 60.694,987 462.111,988 39,999 48.232,1000 54.232,1001 0.283,1002 0.656,1003 0.837,1004 0.918,1005 0.918,1006 0.918,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.459,1014 6.46,1015 4.286,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.074,1032 10.267,1033 5.706,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.86,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 0.807,1050 14.403,1051 7.391,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.961,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 0.608,1068 18.712,1069 9.224,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 10.014,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 0.458,1086 23.115,1087 11.151,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 12.058,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 0.343,1104 27.57,1105 13.137,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.107,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 0.256,1122 32.055,1123 15.162,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.166,1133 8433,1134 13843,1135 20.86,1136 32.029,1137 44.415,1138 44.554,1139 44.237,1140 44.288,1141 44.261,1142 57.314,1143 4.635,1144 120.264,1145 41.788,1146 5.374,1147 5.185,1148 6.119,1149 5.08,1150 5.029,1151 7.043,1152 1.72,1153 16.234,1154 4.891,1155 6.783,1156 1.48,1157 1.485,1158 1.475,1159 1.476,1160 1.475,1161 1.91,1162 0.154,1163 4.009,1164 1.393,1165 4.009,1166 4.05,1167 3.967,1168 3.905,1169 6.471,1170 3.913,1171 3.873,1172 3.913,1173 3.809,1174 3.775,1175 5.001,1176 3.778,1177 3.797,1178 3.844,1179 3.723,1180 3.617,1181 4.887,1182 3.639,1183 3.634,1184 3.684,1185 3.539,1186 3.449,1187 4.613,1188 3.462,1189 3.239,1190 3.321,1191 3.118,1192 3.039,1193 4.565,1194 3.044,1195 3.111,1196 3.206,1197 2.887,1198 2.941,1199 4.162,1200 2.91,1201 2.968,1202 3.008,1203 2.866,1204 2.769,1205 3.871,1206 2.787,1207 2.917,1208 2.967,1209 2.79,1210 2.745,1211 3.821,1212 2.743,1213 0.146,1214 0.106,1215 0.211,1216 0.133,1217 0.101,1218 4.374,1219 0.135,1220 3.185,1221 0.029,1222 6.317,1223 0.324,1224 3.976,1225 0.096,1226 3.029,1227 4.043,1228 0.86,1229 9.721,1230 2.891,1231 1.941,1232 1.915,1233 2.029,1234 2.074,1235 1.202,1236 2.058,1237 1.851,1238 1.812,1239 1.973,1240 1.976,1241 1.111,1242 1.978,1243 1.735,1244 1.683,1245 1.917,1246 1.942,1247 1.073,1248 1.939,1249 1.573,1250 1.525,1251 1.712,1252 1.775,1253 0.825,1254 1.761,1255 1.199,1256 1.125,1257 1.513,1258 1.445,1259 0.748,1260 1.448,1261 1.153,1262 1.064,1263 1.447,1264 1.376,1265 0.562,1266 1.429,1267 0.884,1268 0.845,1269 1.143,1270 1.157,1271 0.266,1272 1.137,1273 0.881,1274 0.829,1275 1.106,1276 1.125,1277 0.174,1278 1.127,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.821,1295 3.459,1296 3.354,1297 5.435,1300 2.116,1305 30.751,1306 75.791,1307 175.923,1308 224.427,1309 246.078,1310 246.078,1311 246.078,1312 35.655,1313 7.313,1314 83.4,1315 83.4,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 188.661,1325 321.24,1326 452.093,1327 13821,1329 18.476,1330 0.684,1331 0.551,1332 18.476,1333 14.876,1334 13.276,1335 0.443,1336 0.297,1337 8.767,1338 12.699,1339 8.623,1340 7.104,1341 13.276,1342 8.918,1343 11.605,1344 0.29,1345 0.158,1346 11.605,1347 6.303,1348 9.546,1349 0.187,1350 0.085,1351 9.546,1352 4.347,1353 8.001,1354 0.121,1355 0.045,1356 8.001,1357 2.938,1358 6.763,1359 0.079,1360 0.023,1361 6.763,1362 2,1363 0.301,1364 83.579,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 410.799,1370 154.835,1371 396.294,1372 545.56,1373 374,1374 161,1375 400.92,1376 176.087,1377 405.806,1378 590.59,1379 382,1380 5.699}
{0 CHEMBL1289115,1 1.799,2 13.889,3 3.262,4 10.641,5 140.504,6 9.117,7 0.7,8 4.172,9 4.254,10 4.126,11 3.827,12 5.3,13 3.784,14 4.681,15 4.789,16 4.359,17 4.202,18 6.167,19 4.158,20 4.916,21 5.069,22 4.378,23 4.319,24 6.161,25 4.245,26 4.943,27 5.116,28 4.374,29 4.299,30 6.197,31 4.224,32 4.958,33 5.134,34 4.321,35 4.26,36 6.26,37 4.2,38 4.868,39 5.049,40 4.271,41 4.231,42 6.061,43 4.158,44 4.862,45 5.051,46 4.248,47 4.198,48 6.048,49 4.113,50 4.823,51 5.008,52 4.199,53 4.115,54 6.114,55 4.043,56 0.177,57 0.901,58 12.79,59 5.549,60 26.241,61 5.266,62 0.58,63 1.409,64 20.981,65 9.27,66 85.455,67 9.553,68 0.554,69 1.707,70 26.35,71 11.669,72 77.463,73 11.952,74 0.506,75 1.762,76 33.791,77 12.949,78 59.892,79 13.719,80 0.745,81 1.731,82 29.896,83 11.824,84 107.835,85 12.437,86 0.466,87 1.635,88 26.56,89 11.268,90 56.727,91 12.771,92 0.516,93 1.651,94 29.271,95 11.271,96 59.621,97 12.57,98 0.646,99 1.528,100 27.31,101 10.647,102 84.163,103 11.987,104 28,105 59,106 0.285,107 0.555,108 0.732,109 0.851,110 0.879,111 0.879,112 3.616,113 1.061,114 -2.87,115 -2.88,116 -2.79,119 43.9,124 1,142 11,143 5,144 3,145 3,151 1,161 1,172 14,174 2,175 3,178 5,180 5,183 15,187 9,190 1,192 7,195 11,199 13,204 8,207 7,211 3,212 11,217 5,220 8,224 10,227 1,228 1,229 4,232 9,237 8,240 2,242 2,245 9,249 2,250 7,253 2,254 1,255 2,258 7,262 2,263 7,268 3,271 6,275 2468,276 23.797,277 23.797,278 23.797,279 23.797,280 23.797,281 19.956,282 10.911,283 13.814,284 24.245,285 19.824,286 19.824,287 19.824,288 19.824,289 19.824,290 13.953,291 7.289,292 6.617,293 20.595,294 4.034,295 2.332,296 1.22,297 0.469,298 0.294,299 0.294,300 4.318,305 1,306 1087,307 4.301,310 84.446,311 452.296,314 149.057,318 2.228,319 48.177,322 0.75,323 0.67,324 0.83,325 0.3,327 0.67,328 1,329 0.6,330 78.5,331 500,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.147,341 4.653,342 4.311,343 6.73,344 4.179,345 3.199,346 4.569,348 10.995,349 3.088,350 4.615,351 3.191,352 6.455,353 4.067,354 3.128,355 4.44,357 10.197,358 2.917,359 4.212,360 2.871,361 6.162,362 3.824,363 2.835,364 3.84,366 9.155,367 2.798,368 3.994,369 2.643,370 5.763,371 3.519,372 2.546,373 3.628,375 7.89,376 2.472,377 3.667,378 2.411,379 5.362,380 3.253,381 2.281,382 3.121,384 6.829,385 2.211,386 3.526,387 2.175,388 5.179,389 3.043,390 2.075,391 2.995,393 6.347,394 2.011,395 3.452,396 1.98,397 4.807,398 2.965,399 1.974,400 2.811,402 5.206,403 1.95,404 2.974,405 1.542,406 4.542,407 2.457,408 1.496,409 2.193,411 4.365,412 1.433,413 2.942,414 1.529,415 4.308,416 2.444,417 1.48,418 2.136,420 3.993,421 1.425,422 2.71,423 1.291,424 3.943,425 2.208,426 1.233,427 1.805,428 3.007,429 1.201,430 2.686,431 1.233,432 3.63,433 2.169,434 1.178,435 1.755,436 2.744,437 1.165,438 2.624,439 1.14,440 3.488,441 2.081,442 1.132,443 1.681,445 2.556,446 1.071,447 2.5,448 1,449 3.477,450 2,451 1,452 1.5,454 2.47,455 1,456 2.5,457 1,458 3.247,459 1.97,460 1,461 1.5,463 2.136,464 0.967,465 17.5,466 0.486,467 1.166,468 0.032,469 56,470 1.556,471 33,472 0.917,473 23,474 0.639,475 25.606,476 0.711,477 37.1,478 0.651,479 47.262,480 1.313,481 10.741,482 0.298,483 6.437,484 0.179,485 0.105,486 0.095,487 0.257,493 0.508,494 1.238,495 0.81,496 1.203,497 0.68,498 0.837,499 0.56,500 1.062,501 1.02,502 1.055,503 0.521,504 0.933,505 1.149,506 1.047,507 0.999,508 0.947,509 1.101,510 1.033,511 0.985,512 1.121,513 1.079,514 1.103,515 0.853,516 1,517 1.238,518 0.932,519 0.918,520 0.825,521 1.231,522 0.935,523 0.833,524 1.026,525 0.837,526 0.913,527 0.749,528 0.977,529 0.879,530 1.021,531 0.968,532 0.997,533 0.771,534 1.013,535 0.906,536 0.989,537 0.872,538 0.913,539 0.966,540 0.977,541 9.5,542 0.338,543 4.222,544 2.819,545 1.912,546 1.333,547 0.976,548 0.633,549 0.468,550 0.323,551 20401,552 66828,553 2.089,554 36.8,556 14,557 1,558 3,559 3,564 1.774,565 1.946,566 3.754,567 0.856,573 102.53,574 1.799,575 3.501,576 4.612,577 5.364,578 5.539,579 5.539,580 3.24,581 4.76,582 5.141,583 3.938,584 2481.22,585 9.034,586 39765.8,591 332.475,592 1.598,593 5.087,594 0.237,595 0.009,596 0.072,597 0.049,598 0.034,599 0.024,600 0.018,601 0.013,602 0.01,603 0.008,604 0.475,605 0.33,606 0.63,607 0.826,608 197.252,609 0.1,610 -0.109,611 0.241,612 -0.095,613 -0.181,614 0.049,615 0.303,616 0.012,617 -0.107,618 -0.073,619 0.3,620 -0.058,621 -0.201,622 -0.048,623 -0.127,624 -0.018,625 -0.158,626 -0.107,627 -0.1,628 -0.122,629 -0.063,630 -0.089,631 0.005,632 -0.013,633 -0.151,634 0.047,635 -0.07,636 0.058,637 -0.129,638 0.001,639 -0.043,640 -0.043,641 0.003,642 -0.017,643 -0.028,644 -0.009,645 -0.06,646 -0.016,647 -0.028,648 -0.045,649 -0.032,650 -0.031,651 0.069,652 -0.014,653 0.02,654 -0.001,655 -0.01,656 -0.008,657 4.674,658 5.707,659 0.75,660 42.815,661 1.018,662 1.114,663 1.643,664 2.699,665 0.723,666 3.714,667 4.094,668 4.317,669 4.615,670 4.836,671 4.949,672 5.142,673 5.303,674 5.407,675 5.572,676 8.138,677 0.694,678 519.65,679 3.714,680 5.293,681 6.142,682 7.048,683 7.915,684 8.822,685 9.697,686 10.605,687 11.486,688 12.394,689 8.8,694 2,697 1,699 2,703 2,704 15,705 2,706 1,709 7,711 28,731 57,733 32,734 2,735 40,737 61,738 25,739 24,740 3,741 9,746 5,747 6,761 24,762 1,766 4,769 2,771 4,781 21,782 8,783 3,784 11,785 2,790 5,794 0.8,795 4,805 2,807 1,811 1,812 4,815 1,840 4,842 2,844 1,848 36,852 2,855 2,870 7,873 4,877 18.5,878 10.4,879 7.528,880 3.007,881 5.423,882 1.627,883 1.052,884 6.268,885 14.076,886 4.078,887 4.785,888 5.308,889 5.955,890 6.522,891 6.89,892 7.423,893 7.91,894 8.303,895 8.798,896 1,897 57,898 13.712,900 6.421,901 8.009,902 24.938,904 21.105,905 2.509,906 90.333,910 211.88,911 183.328,912 83.167,914 88.626,916 11.615,917 171.714,918 300.506,919 83.167,920 7.19,922 124.901,923 192.036,924 66.307,925 11.771,926 164.795,928 211.88,929 254.88,930 88.626,931 11.615,933 211.88,934 88.626,937 45.643,938 142.856,939 77.996,941 211.88,942 171.792,943 183.328,945 11.615,946 211.88,947 24.095,948 147.619,949 49.596,950 122.197,951 211.88,952 171.792,953 183.328,955 0.596,956 0.324,957 0.178,958 0.096,959 30,960 13,961 0.115,962 7,963 1,964 1.074,965 4.584,966 354.071,967 0.074,968 27,969 176.117,973 2,974 24.014,975 9.396,976 5.443,977 1.475,978 155.007,979 25.356,980 8.709,981 3.137,984 3.991,986 49.596,987 567.001,988 58,991 -7.166,993 48.677,999 58.04,1000 63.491,1001 0.308,1002 0.6,1003 0.791,1004 0.92,1005 0.95,1006 0.95,1007 5.328,1008 1.974,1009 6.188,1010 6.347,1011 4.779,1012 5.474,1014 7.06,1015 4.703,1016 6.609,1017 1.496,1018 7.79,1019 5.206,1020 4.635,1021 5.635,1023 8.307,1024 4.478,1025 7.985,1026 1.48,1027 9.504,1028 4.365,1029 6.503,1030 7.876,1032 11.303,1033 6.332,1034 9.402,1035 1.233,1036 11.286,1037 3.993,1038 7.132,1039 8.814,1041 13.324,1042 6.868,1043 10.851,1044 1.178,1045 13.111,1046 3.007,1047 8.548,1048 10.598,1050 15.936,1051 8.262,1052 12.323,1053 1.132,1054 14.966,1055 2.744,1056 9.497,1057 11.86,1059 18.24,1060 9.12,1061 13.813,1062 1,1063 16.842,1064 2.556,1065 10.755,1066 13.48,1068 20.75,1069 10.341,1070 3.391,1071 1,1072 18.734,1073 2.47,1074 11.838,1075 14.885,1077 23.164,1078 11.342,1079 3.199,1080 12.507,1081 20.638,1082 2.136,1083 13.042,1084 16.442,1086 25.652,1087 12.496,1088 3.128,1089 10.995,1090 22.553,1091 4.704,1092 14.183,1093 17.911,1095 28.113,1096 13.562,1097 2.835,1098 10.197,1099 24.476,1100 4.569,1101 15.371,1102 19.446,1104 30.602,1105 14.691,1106 2.546,1107 9.155,1108 26.407,1109 4.44,1110 16.538,1111 20.944,1113 33.085,1114 15.786,1115 2.281,1116 7.89,1117 28.343,1118 3.84,1119 17.724,1120 22.471,1122 35.581,1123 16.909,1124 2.075,1125 6.829,1126 30.286,1127 3.628,1128 18.903,1129 23.984,1131 38.078,1132 18.018,1133 19209,1134 34968,1135 26.523,1136 41.233,1137 61.451,1138 62.967,1139 61.369,1140 61.058,1141 60.964,1142 86.929,1144 183.521,1145 58.717,1146 5.682,1147 6.685,1148 7.11,1149 5.368,1150 5.391,1151 7.704,1153 19.85,1154 5.147,1155 18.537,1156 1.536,1157 1.574,1158 1.534,1159 1.526,1160 1.524,1161 2.173,1163 4.588,1164 1.468,1165 4.166,1166 4.193,1167 4.739,1168 4.099,1169 7.721,1170 4.083,1171 4.064,1172 4.05,1173 4.714,1174 4.036,1175 7.714,1176 3.965,1177 3.983,1178 3.971,1179 4.111,1180 3.933,1181 6.999,1182 3.85,1183 3.84,1184 3.866,1185 3.816,1186 3.772,1187 6.999,1188 3.739,1189 3.739,1190 3.745,1191 3.716,1192 3.66,1193 5.078,1194 3.628,1195 3.587,1196 3.574,1197 3.665,1198 3.511,1199 4.863,1200 3.438,1201 3.314,1202 3.363,1203 3.25,1204 3.188,1205 4.721,1206 3.188,1207 2.934,1208 3.009,1209 2.857,1210 2.77,1211 4.703,1212 2.781,1213 0.121,1214 0.117,1215 0.183,1216 0.108,1217 0.085,1218 4.855,1219 0.118,1220 4.685,1222 7.308,1223 0.313,1224 4.31,1225 0.079,1226 3.391,1227 4.704,1229 12.507,1230 3.147,1231 1.998,1232 1.988,1233 2.053,1234 2.082,1235 1.207,1236 2.094,1237 1.956,1238 1.954,1239 1.999,1240 2.028,1241 1.162,1242 2.057,1243 1.892,1244 1.872,1245 1.974,1246 1.991,1247 1.082,1248 2.007,1249 1.711,1250 1.716,1251 1.777,1252 1.858,1253 0.945,1254 1.868,1255 1.654,1256 1.646,1257 1.615,1258 1.797,1259 0.849,1260 1.836,1261 1.415,1262 1.435,1263 1.563,1264 1.615,1265 0.6,1266 1.625,1267 1.399,1268 1.354,1269 1.243,1270 1.545,1271 0.559,1272 1.578,1273 1.032,1274 0.995,1275 1.181,1276 1.178,1277 0.304,1278 1.195,1279 4.394,1281 5.759,1282 2.398,1283 7.303,1284 4.727,1285 8.925,1286 6.843,1287 10.587,1289 1.101,1296 5.053,1305 39.555,1306 102.53,1307 199.553,1308 262.911,1309 305.72,1310 315.72,1311 315.72,1312 78.182,1313 8.653,1314 133.91,1315 150.67,1316 29,1317 12.916,1318 5.044,1319 4.248,1320 54.532,1321 176,1322 172,1323 0.15,1324 247.774,1325 417.62,1326 596.329,1327 82076,1329 25.338,1330 0.704,1331 0.573,1332 25.838,1333 20.637,1334 17.178,1335 0.429,1336 0.354,1337 10.924,1338 15.123,1339 10.363,1340 8.614,1341 18.925,1342 14.14,1343 17.116,1344 0.29,1345 0.196,1346 19.799,1347 11.589,1348 12.854,1349 0.174,1350 0.1,1351 14.409,1352 7.389,1353 11.333,1354 0.113,1355 0.054,1356 12.899,1357 5.442,1358 8.997,1359 0.072,1360 0.029,1361 10.218,1362 3.593,1363 0.238,1364 124.714,1365 0.194,1366 33.047,1367 0.402,1368 198,1369 620.952,1370 282.02,1371 649.812,1372 878.17,1373 594,1374 232,1375 598.727,1376 331.471,1377 680.388,1378 979.03,1379 633,1380 6.022}
{0 CHEMBL1289116,1 1.839,2 10.931,3 0.119,4 0.014,5 109.841,6 8.5,7 0.5,8 4.032,9 4.138,10 3.845,11 3.533,12 5.16,13 3.533,14 4.582,15 4.734,16 4.153,17 3.933,18 5.918,19 3.917,20 4.785,21 4.95,22 4.216,23 4.09,24 5.986,25 4.036,26 4.87,27 5.051,28 4.198,29 4.067,30 6.122,31 4.01,32 4.881,33 5.103,34 4.08,35 3.946,36 6.265,37 3.894,38 4.593,39 4.78,40 3.96,41 3.87,42 5.796,43 3.828,44 4.651,45 4.842,46 3.943,47 3.872,48 5.885,49 3.817,50 4.723,51 4.963,52 3.836,53 3.778,54 5.945,55 3.702,56 0.186,57 0.816,58 11.481,59 4.084,60 24.379,61 4.796,62 0.676,63 1.25,64 19.974,65 7.283,66 65.247,67 8.612,68 0.67,69 1.482,70 28.5,71 9.77,72 70.951,73 10.971,74 0.764,75 1.514,76 33.989,77 9.903,78 100.815,79 11.609,80 1.244,81 1.368,82 34.001,83 9.39,84 157.117,85 12.009,86 0.475,87 1.198,88 21.102,89 7.541,90 52.443,91 9.387,92 0.506,93 1.268,94 22.869,95 7.49,96 57.209,97 9.483,98 0.855,99 1.177,100 27.118,101 7.883,102 99.305,103 10.663,104 27,105 47,106 0.308,107 0.685,108 0.814,109 0.834,110 0.841,111 0.841,112 3.408,113 0.974,114 -2.31,115 -2.34,116 -2.31,119 36.7,120 1,125 4,142 2,143 4,144 1,145 2,147 1,151 1,157 1,161 1,163 1,164 1,165 1,172 5,174 3,175 5,177 1,178 5,180 3,183 5,186 1,187 6,190 1,191 1,192 3,194 1,195 4,197 1,199 6,202 1,204 4,207 3,209 1,211 7,212 6,214 3,215 4,217 3,220 2,222 1,224 5,227 1,229 3,232 1,234 1,237 5,239 1,240 2,242 2,245 1,247 1,249 5,250 5,252 1,253 1,254 1,255 1,260 1,263 4,266 1,267 1,268 1,270 1,275 1285,276 19.179,277 19.179,278 19.179,279 19.179,280 19.179,281 16.876,282 16.508,283 11.032,284 19.572,285 15.777,286 15.777,287 15.777,288 15.777,289 15.777,290 12.149,291 19.082,292 5.21,293 16.395,294 3.776,295 1.519,296 0.75,297 0.628,298 0.587,299 0.587,300 4.099,304 1,305 1,306 687,307 3.742,310 70.099,311 267.891,314 120.365,318 1.667,319 45.169,322 1,323 0.83,324 1,325 0.8,327 0.83,328 0.5,329 0.71,330 65,331 317,332 4.81,333 3.588,334 7.311,335 4.381,336 3.398,337 4.576,338 1.277,339 12.526,340 3.341,341 4.608,342 3.479,343 6.684,344 4.153,345 3.165,346 4.548,347 0.86,348 10.775,349 3.129,350 4.273,351 3.03,352 6.223,353 3.869,354 2.888,355 3.938,356 0.4,357 9.302,358 2.838,359 3.887,360 2.867,361 5.901,362 3.512,363 2.535,364 3.342,366 8.132,367 2.468,368 3.644,369 2.543,370 5.51,371 3.226,372 2.234,373 3.013,375 6.818,376 2.206,377 3.129,378 2.421,379 4.915,380 2.941,381 2.019,382 2.211,384 5.357,385 1.855,386 2.979,387 1.781,388 4.462,389 2.464,390 1.495,391 2.14,393 4.305,394 1.446,395 2.926,396 1.739,397 4.284,398 2.4,399 1.453,400 2.068,402 3.787,403 1.384,404 2.835,405 1.517,406 4.168,407 2.377,408 1.414,409 1.954,411 3.692,412 1.339,413 2.551,414 1.478,415 3.666,416 2.041,417 1.169,418 1.542,420 2.73,421 1.015,422 2.255,423 1.256,424 3.62,425 2.021,426 1.042,427 1.231,428 2.571,429 1.011,430 2.012,431 1.155,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 0.659,440 3.177,441 1.47,442 0.518,443 0.754,445 1.274,446 0.491,447 1.49,448 0.366,449 3.115,450 1.13,451 0.197,452 0.243,454 0.489,455 0.184,456 1,457 0.261,458 2.736,459 0.615,460 -0.355,461 -0.446,463 -1.023,464 -0.343,465 13.567,466 0.468,467 0.91,468 0.031,469 39.25,470 1.353,471 19.5,472 0.672,473 19.75,474 0.681,475 22.655,476 0.781,477 32.033,478 0.654,479 32.341,480 1.115,481 7.666,482 0.264,483 6.182,484 0.213,485 0.14,486 0.061,487 0.324,493 0.708,494 1.523,495 0.774,496 1.312,497 0.697,498 0.937,499 0.792,500 0.936,501 0.828,502 0.834,503 0.551,504 0.811,505 1.108,506 1.147,507 1.226,508 1.157,509 1.005,510 1.04,511 1.195,512 1.261,513 1.323,514 1.333,515 1.386,516 1.153,517 1.007,518 0.687,519 0.93,520 0.711,521 1.246,522 0.798,523 0.943,524 1.155,525 0.872,526 0.984,527 0.921,528 0.977,529 0.949,530 1.277,531 1.101,532 1.224,533 0.918,534 1.216,535 0.921,536 0.793,537 0.849,538 0.764,539 0.983,540 0.927,541 7,542 0.202,543 4.444,544 2.257,545 1.921,546 1.191,547 0.8,548 0.486,549 0.369,550 0.282,551 10563,552 33867,553 2.061,554 40.8,556 10,557 1,558 2,559 4,560 3,564 1.721,565 1.902,566 3.444,567 1.766,569 1,573 90.114,574 1.839,575 4.096,576 4.865,577 4.987,578 5.028,579 5.028,580 2.902,581 4.444,582 4.832,583 3.589,584 1457.3,585 8.422,586 19454.3,588 1,591 275.121,592 1.636,593 4.769,594 0.219,595 0.009,596 0.095,597 0.047,598 0.044,599 0.029,600 0.021,601 0.014,602 0.012,603 0.011,604 0.499,605 0.17,606 0.88,607 0.772,608 146.533,609 -0.02,610 -0.253,611 0.198,612 -0.14,613 -0.147,614 0.022,615 0.15,616 0.191,617 0.069,618 0.163,619 0.194,620 0.116,621 -0.167,622 -0.052,623 -0.15,624 -0.034,625 -0.097,626 -0.064,627 -0.195,628 -0.209,629 -0.193,630 -0.22,631 -0.193,632 -0.177,633 0.15,634 0.236,635 0.062,636 0.203,637 0.064,638 0.157,639 -0.115,640 -0.118,641 -0.006,642 -0.018,643 -0.064,644 0.002,645 -0.136,646 -0.204,647 -0.193,648 -0.256,649 -0.09,650 -0.262,651 0.06,652 0.126,653 0.057,654 0.095,655 -0.018,656 0.04,657 4.7,658 5.637,659 0.724,660 25.541,661 1.024,662 1.136,663 1.078,664 1.163,665 0.67,666 3.497,667 3.871,668 4.143,669 4.394,670 4.625,671 4.7,672 4.82,673 4.934,674 5.056,675 5.165,676 6.55,677 0.65,678 416.51,679 3.497,680 5.069,681 5.932,682 6.832,683 7.715,684 8.616,685 9.505,686 10.407,687 11.299,688 12.201,689 12.2,692 1,693 1,694 1,697 1,699 2,703 2,704 5,705 2,706 1,709 5,711 16,716 1,722 1,731 49,733 19,735 32,737 52,738 18,739 12,742 1,746 4,747 5,752 1,761 13,762 5,766 3,769 1,771 3,775 1,778 1,781 20,782 9,783 4,784 11,785 1,790 6,794 0.75,795 4,805 2,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 29,849 1,852 1,854 4,855 1,856 1,859 1,870 8.2,873 3,874 1,877 15.25,878 8.933,879 6.181,880 2.71,881 3.384,882 1.438,883 1.017,884 5.273,885 11.115,886 3.784,887 4.451,888 5.003,889 5.606,890 6.158,891 6.553,892 7.01,893 7.477,894 7.831,895 8.257,896 1,897 48,898 11.002,900 5.058,901 8.043,902 20.045,904 16.749,905 2.543,906 73.75,910 188.338,911 97.948,912 101.177,914 80.458,916 5.569,917 92.379,918 268.795,919 101.177,920 8.825,921 13.396,922 66.466,923 160.825,924 51.285,925 14.099,926 153.024,928 188.338,929 193.557,930 80.458,931 5.569,933 188.338,934 69.458,935 11,937 60.336,938 83.245,939 55.545,941 188.338,942 181.635,943 97.948,945 5.569,946 188.338,947 37.459,948 56.439,949 33.191,950 146.926,951 188.338,952 181.635,953 97.948,955 0.598,956 0.349,957 0.181,958 0.1,959 24,960 11,961 0.096,962 5,963 1,964 1.095,965 3.952,966 262.685,967 0.095,968 21,969 134.881,973 1,974 19.795,975 7.726,976 3.975,977 1.276,978 164.85,979 8.181,980 8.448,981 2.961,984 2.064,986 66.088,987 467.921,988 43,991 -3.783,993 37.081,997 -0.079,999 50.182,1000 55.654,1001 0.328,1002 0.73,1003 0.866,1004 0.888,1005 0.895,1006 0.895,1007 5.05,1008 1.453,1009 5.969,1010 4.305,1011 4.554,1012 5.139,1013 1.802,1014 6.847,1015 4.491,1016 6.306,1017 1.414,1018 7.581,1019 3.787,1020 4.369,1021 5.293,1023 8.057,1024 4.333,1025 7.672,1026 1.169,1027 9.305,1028 3.692,1029 6.26,1030 7.498,1031 2.011,1032 11.106,1033 6.163,1034 9.08,1035 1.042,1036 11.096,1037 2.73,1038 6.878,1039 8.453,1041 13.124,1042 6.807,1043 10.524,1044 1,1045 12.93,1046 2.571,1047 8.302,1048 10.207,1049 2.352,1050 15.764,1051 8.186,1052 11.991,1053 0.518,1054 14.794,1055 2.136,1056 9.253,1057 11.481,1059 18.079,1060 9.146,1061 13.476,1062 0.197,1063 16.679,1064 1.274,1065 10.515,1066 13.079,1067 2.759,1068 20.608,1069 10.379,1070 3.398,1071 -0.355,1072 18.58,1073 0.489,1074 11.605,1075 14.485,1077 23.037,1078 11.466,1079 3.165,1080 12.526,1081 20.493,1082 -1.023,1083 12.814,1084 16.027,1085 3.203,1086 25.54,1087 12.653,1088 2.888,1089 10.775,1090 22.417,1091 4.576,1092 13.963,1093 17.49,1095 28.015,1096 13.792,1097 2.535,1098 9.302,1099 24.349,1100 4.548,1101 15.158,1102 19.011,1103 3.667,1104 30.518,1105 14.968,1106 2.234,1107 8.132,1108 26.288,1109 3.938,1110 16.333,1111 20.501,1113 33.014,1114 16.13,1115 2.019,1116 6.818,1117 28.233,1118 3.342,1119 17.527,1120 22.015,1121 4.142,1122 35.521,1123 17.307,1124 1.495,1125 5.357,1126 30.183,1127 3.013,1128 18.715,1129 23.517,1131 38.028,1132 18.48,1133 10080,1134 18206,1135 20.978,1136 32.83,1137 49.173,1138 50.277,1139 50.312,1140 48.922,1141 49.055,1142 65.12,1143 5.075,1144 147.789,1145 47.304,1146 5.81,1147 5.588,1148 7.113,1149 5.484,1150 5.398,1151 7.576,1152 2.555,1153 19.914,1154 5.314,1155 15.476,1156 1.537,1157 1.571,1158 1.572,1159 1.529,1160 1.533,1161 2.035,1162 0.159,1163 4.618,1164 1.478,1165 4.141,1166 4.173,1167 4.724,1168 4.04,1169 7.717,1170 4.048,1171 4.019,1172 4.02,1173 4.099,1174 3.918,1175 7.428,1176 3.847,1177 3.818,1178 3.854,1179 3.805,1180 3.7,1181 6.999,1182 3.684,1183 3.556,1184 3.566,1185 3.52,1186 3.371,1187 5.172,1188 3.365,1189 3.477,1190 3.505,1191 3.413,1192 3.303,1193 5.029,1194 3.289,1195 3.277,1196 3.346,1197 3.178,1198 3.073,1199 4.611,1200 3.084,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.568,1206 2.91,1207 2.941,1208 3.053,1209 2.795,1210 2.697,1211 4.265,1212 2.708,1213 0.15,1214 0.112,1215 0.228,1216 0.137,1217 0.106,1218 4.81,1219 0.143,1220 3.588,1221 0.04,1222 7.311,1223 0.391,1224 4.381,1225 0.104,1226 3.398,1227 4.576,1228 1.277,1229 12.526,1230 3.341,1231 1.967,1232 1.945,1233 2.021,1234 2.079,1235 1.234,1236 2.078,1237 1.808,1238 1.802,1239 1.901,1240 1.995,1241 1.151,1242 2.002,1243 1.7,1244 1.668,1245 1.818,1246 1.876,1247 0.923,1248 1.859,1249 1.581,1250 1.532,1251 1.733,1252 1.803,1253 0.825,1254 1.787,1255 1.354,1256 1.369,1257 1.513,1258 1.581,1259 0.757,1260 1.607,1261 1.224,1262 1.15,1263 1.501,1264 1.487,1265 0.554,1266 1.498,1267 1.153,1268 1.064,1269 1.26,1270 1.376,1271 0.52,1272 1.429,1273 1.022,1274 0.964,1275 1.164,1276 1.283,1277 0.269,1278 1.288,1279 4.174,1281 5.533,1282 2.398,1283 7.084,1284 4.727,1285 8.718,1286 6.843,1287 10.393,1289 1.485,1293 5.896,1295 1.222,1296 2.503,1297 5.196,1300 1.301,1305 31.862,1306 90.114,1307 200.703,1308 238.366,1309 244.366,1310 246.366,1311 246.366,1312 65.529,1313 7.73,1314 143.3,1315 151.68,1316 23,1317 12.724,1318 4.322,1319 3.585,1320 44.671,1321 115,1322 108,1323 0.191,1324 198.321,1325 336.37,1326 475.664,1327 24467,1329 20.596,1330 0.71,1331 0.569,1332 20.846,1333 16.492,1334 13.848,1335 0.433,1336 0.325,1337 8.887,1338 12.378,1339 8.589,1340 7.055,1341 14.669,1342 10.386,1343 13.32,1344 0.283,1345 0.177,1346 14.621,1347 8.325,1348 10.934,1349 0.176,1350 0.101,1351 12.025,1352 6.234,1353 8.952,1354 0.112,1355 0.054,1356 10.008,1357 4.358,1358 7.301,1359 0.072,1360 0.028,1361 8.265,1362 2.858,1363 0.298,1364 96.462,1365 0.218,1366 27.333,1367 0.529,1368 158,1369 532.716,1370 215.215,1371 526.878,1372 709.41,1373 486,1374 188,1375 489.403,1376 255.041,1377 530.273,1378 775.13,1379 496,1380 6.137}
{0 CHEMBL1289195,1 1.55,2 9.593,3 3.071,4 9.43,5 105.819,6 6.991,7 0.4,8 4.078,9 4.2,10 3.586,11 3.549,12 5.108,13 3.536,14 4.654,15 4.834,16 3.94,17 3.961,18 5.651,19 3.916,20 4.968,21 5.207,22 3.954,23 4.103,24 5.887,25 4.015,26 4.947,27 5.218,28 3.858,29 4.029,30 5.837,31 3.923,32 4.815,33 5.07,34 3.904,35 3.971,36 5.801,37 3.898,38 4.741,39 4.948,40 3.904,41 4.004,42 5.7,43 3.941,44 4.861,45 5.085,46 3.937,47 4.084,48 5.83,49 3.989,50 4.968,51 5.206,52 3.822,53 4.145,54 5.797,55 4.013,56 0.057,57 0.788,58 12.247,59 4.781,60 11.615,61 6.616,62 0.286,63 1.281,64 23.266,65 8.146,66 27.507,67 11.492,68 0.477,69 1.565,70 33.635,71 10.057,72 49.35,73 15.375,74 0.441,75 1.514,76 33.311,77 9.618,78 50.263,79 15.27,80 0.524,81 1.393,82 28.912,83 8.086,84 53.267,85 13.095,86 0.262,87 1.394,88 25.62,89 7.833,90 28.681,91 12.1,92 0.482,93 1.479,94 29.353,95 9.686,96 45.992,97 14.634,98 0.323,99 1.531,100 32.943,101 11.745,102 39.06,103 16.993,104 5,105 41,106 0.26,107 0.6,108 0.773,109 0.835,110 0.835,111 0.835,112 3.341,113 0.963,114 -3.94,115 -3.89,116 -3.69,119 37.7,121 4,125 4,127 2,142 5,143 1,144 1,146 1,147 1,150 1,172 6,174 3,175 3,178 1,180 7,183 7,186 1,187 2,192 6,195 6,199 6,202 2,204 2,207 3,211 2,212 7,215 1,216 1,217 3,220 3,224 6,229 1,232 2,237 8,240 4,241 1,242 2,245 6,250 2,258 6,263 3,266 2,268 3,271 4,275 1113,276 18.463,277 18.463,278 18.463,279 18.463,280 18.463,281 17.079,282 24.255,283 11.108,284 18.987,285 14.875,286 14.875,287 14.875,288 14.875,289 14.875,290 12.739,291 37.187,292 5.384,293 15.757,294 4.177,295 2.156,296 1.125,297 0.755,298 0.755,299 0.755,300 4.041,303 1,304 1,305 1,306 564,307 2.236,311 348.778,318 1.416,319 28.298,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 59,331 259,332 4.376,333 3.189,334 6.319,335 3.981,336 3.034,337 4.043,338 0.86,339 9.732,340 2.894,341 4.026,342 2.9,343 6.033,344 3.679,345 2.729,346 3.566,347 0.8,348 8.707,349 2.589,350 3.717,351 2.817,352 5.573,353 3.609,354 2.652,355 2.906,356 0.4,357 7.646,358 2.517,359 3.58,360 2.588,361 5.191,362 3.309,363 2.362,364 2.812,366 6.517,367 2.229,368 3.407,369 2.407,370 5.005,371 3.118,372 2.171,373 2.515,375 5.96,376 2.047,377 3.037,378 2.271,379 4.807,380 2.872,381 1.927,382 2.087,384 5.425,385 1.816,386 2.878,387 2.027,388 4.407,389 2.616,390 1.712,391 1.931,393 4.353,394 1.539,395 2.787,396 1.512,397 4.134,398 2.323,399 1.361,400 1.886,402 3.562,403 1.305,404 2.548,405 1.338,406 3.492,407 2.065,408 1.119,409 1.57,411 2.617,412 1.057,413 2.198,414 1.256,415 3.469,416 2,417 1,418 1.171,420 2.476,421 1,422 2,423 1.046,424 3.414,425 1.952,426 1,427 1,428 2.275,429 0.946,430 2,431 1,432 3.247,433 1.913,434 1,435 1,436 2.136,437 0.905,438 1.304,439 0.463,440 2.97,441 1.123,442 0.195,443 0.208,445 0.483,446 0.18,447 0.982,448 -0.057,449 2.659,450 0.564,451 -0.378,452 -0.446,454 -0.867,455 -0.35,456 0.847,457 -0.149,458 2.503,459 0.528,460 -0.401,461 -0.494,463 -1.024,464 -0.369,465 12.6,466 0.467,467 0.588,468 0.022,469 31.75,470 1.176,471 13.5,472 0.5,473 18.25,474 0.676,475 24.507,476 0.908,477 30.6,478 0.577,479 22.624,480 0.838,481 5.86,482 0.217,483 7.31,484 0.271,485 0.053,487 0.31,493 0.982,494 1.46,495 0.867,496 1.186,497 0.972,498 1.033,499 0.992,500 1.165,501 0.986,502 1.121,503 0.715,504 1.065,505 1.107,506 1.118,507 1.04,508 0.982,509 1.031,510 0.993,511 0.862,512 1.015,513 0.925,514 0.902,515 0.903,516 0.908,517 0.743,518 0.946,519 0.848,520 0.77,521 0.673,522 0.797,523 1.015,524 1.258,525 1.124,526 1.104,527 0.853,528 1.102,529 0.636,530 1.077,531 1.033,532 1.109,533 0.525,534 1.121,535 0.862,536 1.031,537 1.125,538 1.189,539 0.789,540 1.195,541 5.5,542 0.119,543 2.222,544 1.25,545 1.209,546 0.792,547 0.631,548 0.326,549 0.217,550 0.222,551 8686,552 21280,553 2.142,554 49.1,556 15,559 3,561 8,564 1.708,565 2.051,566 3.238,567 0.945,568 1,569 1,573 82.175,574 1.55,575 3.572,576 4.603,577 4.973,578 4.973,579 4.973,580 2.672,581 4.385,582 4.724,583 3.401,584 1193.81,585 8.241,586 15378,588 1,590 1,591 303.58,592 1.218,593 4.706,594 0.183,595 0.007,596 0.054,597 0.031,598 0.034,599 0.02,600 0.016,601 0.008,602 0.006,603 0.008,604 0.369,605 0.33,606 1,607 0.454,608 132.5,609 -0.095,610 -0.184,611 0.043,612 -0.023,613 -0.103,614 0.023,615 -0.019,616 0.004,617 -0.035,618 -0.063,619 0.039,620 -0.062,621 -0.116,622 -0.087,623 -0.059,624 -0.008,625 -0.088,626 -0.024,627 -0.04,628 -0.007,629 0.049,630 0.035,631 -0.059,632 0.055,633 0.096,634 0.13,635 0.128,636 0.167,637 0.072,638 0.157,639 -0.18,640 -0.072,641 -0.178,642 -0.101,643 -0.143,644 -0.125,645 0.138,646 0.035,647 -0.092,648 -0.095,649 0.122,650 -0.125,651 -0.095,652 -0.013,653 -0.189,654 -0.149,655 -0.078,656 -0.173,657 1.514,658 3.838,659 0.889,660 24.082,661 1.002,662 1.136,663 2.707,664 7.33,665 0.637,666 3.434,667 3.738,668 3.97,669 4.234,670 4.511,671 4.533,672 4.727,673 4.852,674 5.004,675 5.056,676 6.006,677 0.604,678 370.5,679 3.434,680 4.963,681 5.796,682 6.661,683 7.512,684 8.381,685 9.242,686 10.114,687 10.98,688 11.855,689 7.5,694 1,695 1,699 2,704 5,705 2,709 5,711 12,724 1,726 1,728 1,731 53,733 12,734 1,735 30,737 56,738 20,739 10,740 2,741 4,746 4,747 4,755 6,758 6,761 10,762 10,777 1,778 1,781 26,782 7,783 3,784 7,790 4,794 1,795 3,797 1,806 1,812 4,838 1,839 1,840 4,848 27,853 2,854 8,855 1,856 1,858 2,859 1,870 5.7,871 1,872 1,874 1,877 13.167,878 9,879 5.889,880 3.331,881 2.138,882 1.291,883 0.928,884 5.764,885 9.49,886 3.611,887 4.127,888 4.625,889 5.176,890 5.735,891 5.964,892 6.398,893 6.73,894 7.078,895 7.262,896 1,897 40,898 10.036,900 4.306,901 7.685,902 19.518,904 16.453,905 2.185,906 59,909 1,910 270.735,911 81.085,912 54.706,914 96.367,917 81.085,918 367.102,919 54.706,921 23.534,922 90.065,923 105.265,924 9.067,925 4.227,926 270.735,928 270.735,929 135.791,930 96.367,933 176.567,934 136.852,935 53.683,937 28.19,938 56.019,939 51.582,941 270.735,942 151.073,943 81.085,946 270.735,947 33.704,948 50.506,949 18.011,950 129.938,951 270.735,952 151.073,953 81.085,955 0.576,956 0.323,957 0.175,958 0.104,959 20,960 8,961 0.071,962 4,964 1,965 3.919,966 233.514,968 24,969 120.382,974 18.479,975 8.423,976 4.697,978 151.073,979 9.054,980 9.483,984 3.313,986 103.377,987 502.893,988 36,999 53.109,1000 60.189,1001 0.271,1002 0.624,1003 0.804,1004 0.868,1005 0.868,1006 0.868,1007 4.852,1008 1.361,1009 5.759,1010 4.353,1011 4.419,1012 4.812,1013 1.324,1014 6.515,1015 4.311,1016 6.003,1017 1.119,1018 7.276,1019 3.562,1020 3.892,1021 4.46,1022 0.325,1023 7.248,1024 3.714,1025 7.272,1026 1,1027 8.886,1028 2.617,1029 5.958,1030 6.858,1031 0.958,1032 10.331,1033 5.751,1034 8.57,1035 1,1036 10.552,1037 2.476,1038 6.217,1039 7.307,1040 0.268,1041 11.883,1042 5.94,1043 9.9,1044 1,1045 12.253,1046 2.275,1047 7.747,1048 9.211,1049 0.736,1050 14.459,1051 7.444,1052 11.252,1053 0.195,1054 13.98,1055 2.136,1056 8.395,1057 10.067,1058 0.188,1059 16.379,1060 8.026,1061 12.623,1062 -0.378,1063 15.724,1064 0.483,1065 9.68,1066 11.735,1067 0.57,1068 18.758,1069 9.281,1070 3.034,1071 -0.401,1072 17.484,1073 -0.867,1074 10.534,1075 12.816,1076 0.125,1077 20.854,1078 10.074,1079 2.729,1080 9.732,1081 19.254,1082 -1.024,1083 11.702,1084 14.358,1085 0.439,1086 23.154,1087 11.209,1088 2.652,1089 8.707,1090 21.034,1091 4.043,1092 12.666,1093 15.568,1094 0.082,1095 25.333,1096 12.116,1097 2.362,1098 7.646,1099 22.821,1100 3.566,1101 13.783,1102 17.04,1103 0.334,1104 27.603,1105 13.195,1106 2.171,1107 6.517,1108 24.614,1109 2.906,1110 14.806,1111 18.325,1112 0.054,1113 29.824,1114 14.164,1115 1.927,1116 5.96,1117 26.413,1118 2.812,1119 15.902,1120 19.76,1121 0.252,1122 32.084,1123 15.219,1124 1.712,1125 5.425,1126 28.217,1127 2.515,1128 16.956,1129 21.088,1130 0.035,1131 34.325,1132 16.223,1133 8224,1134 12981,1135 20.572,1136 33.762,1137 44.514,1138 44.909,1139 45.058,1140 44.592,1141 44.524,1142 53.393,1143 4.12,1144 123.774,1145 42.046,1146 5.376,1147 5.189,1148 6.121,1149 5.085,1150 5.034,1151 7.043,1152 1.72,1153 16.246,1154 4.894,1155 9.751,1156 1.484,1157 1.497,1158 1.502,1159 1.486,1160 1.484,1161 1.78,1162 0.137,1163 4.126,1164 1.402,1165 4.013,1166 4.056,1167 3.968,1168 3.906,1169 6.471,1170 3.914,1171 3.864,1172 3.909,1173 3.762,1174 3.747,1175 6.449,1176 3.741,1177 3.792,1178 3.842,1179 3.695,1180 3.607,1181 4.993,1182 3.626,1183 3.623,1184 3.671,1185 3.527,1186 3.442,1187 4.613,1188 3.455,1189 3.224,1190 3.289,1191 3.098,1192 2.997,1193 4.565,1194 3.008,1195 3.111,1196 3.206,1197 2.887,1198 2.941,1199 4.274,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.928,1206 2.91,1207 2.968,1208 3.008,1209 2.866,1210 2.765,1211 3.865,1212 2.785,1213 0.146,1214 0.106,1215 0.211,1216 0.133,1217 0.101,1218 4.376,1219 0.135,1220 3.189,1221 0.029,1222 6.319,1223 0.324,1224 3.981,1225 0.096,1226 3.034,1227 4.043,1228 0.86,1229 9.732,1230 2.894,1231 1.944,1232 1.916,1233 2.078,1234 2.084,1235 1.457,1236 2.076,1237 1.858,1238 1.81,1239 2.017,1240 2.004,1241 1.201,1242 2.015,1243 1.732,1244 1.678,1245 1.918,1246 1.942,1247 1.1,1248 1.939,1249 1.563,1250 1.516,1251 1.7,1252 1.763,1253 0.825,1254 1.749,1255 1.164,1256 1.1,1257 1.513,1258 1.434,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.802,1266 1.429,1267 1.153,1268 1.064,1269 1.424,1270 1.376,1271 0.663,1272 1.429,1273 0.884,1274 0.845,1275 1.143,1276 1.157,1277 0.267,1278 1.137,1279 4.111,1281 5.416,1283 6.917,1285 8.501,1287 10.128,1294 19.568,1295 6.36,1296 3.523,1297 5.444,1299 0.123,1300 2.131,1305 32.025,1306 82.175,1307 189.302,1308 243.97,1309 263.58,1310 263.58,1311 263.58,1312 45.335,1313 7.352,1314 90.74,1315 90.74,1316 24,1317 12.397,1318 3.7,1319 2.807,1320 39.855,1321 97,1322 106,1323 0.201,1324 194.645,1325 337.85,1326 466.694,1327 14118,1329 18.64,1330 0.69,1331 0.568,1332 18.64,1333 15.343,1334 13.17,1335 0.439,1336 0.321,1337 9.481,1338 12.6,1339 9.353,1340 7.653,1341 13.17,1342 9.63,1343 11.885,1344 0.29,1345 0.177,1346 11.885,1347 7.238,1348 9.64,1349 0.185,1350 0.1,1351 9.64,1352 5.199,1353 8.047,1354 0.118,1355 0.054,1356 8.047,1357 3.656,1358 6.931,1359 0.077,1360 0.029,1361 6.931,1362 2.646,1363 0.309,1364 82.973,1365 0.22,1366 25.677,1367 0.573,1368 142,1369 393.303,1370 157.884,1371 373.74,1372 510.69,1373 352,1374 164,1375 372.362,1376 179.416,1377 373.174,1378 547.72,1379 353,1380 6.469}
{0 CHEMBL1289196,1 1.598,2 9.607,3 2.02,4 4.08,5 107.693,6 7.236,7 0.387,8 4.082,9 4.206,10 3.628,11 3.534,12 5.137,13 3.533,14 4.658,15 4.854,16 3.984,17 3.923,18 5.687,19 3.903,20 4.905,21 5.125,22 4.024,23 4.099,24 5.881,25 4.042,26 4.931,27 5.164,28 3.961,29 4.1,30 5.907,31 4.012,32 4.944,33 5.203,34 3.973,35 4.056,36 5.922,37 3.973,38 4.816,39 5.049,40 3.965,41 4.034,42 5.721,43 3.978,44 4.854,45 5.051,46 4.008,47 4.139,48 5.862,49 4.052,50 5.074,51 5.327,52 3.88,53 4.197,54 5.898,55 4.051,56 0.051,57 0.814,58 11.611,59 4.437,60 7.723,61 6.256,62 0.424,63 1.295,64 23.237,65 7.032,66 27.369,67 10.35,68 0.55,69 1.546,70 30.774,71 9.014,72 44.407,73 13.542,74 0.422,75 1.571,76 31.395,77 9.831,78 49.979,79 14.894,80 0.646,81 1.531,82 33.091,83 9.421,84 64.919,85 14.925,86 0.372,87 1.471,88 27.735,89 7.901,90 25.499,91 12.51,92 0.504,93 1.536,94 27.726,95 9.986,96 38.505,97 14.427,98 0.338,99 1.642,100 36.796,101 13.215,102 41.56,103 19.329,104 11,105 43,106 0.267,107 0.554,108 0.708,109 0.792,110 0.817,111 0.817,112 3.375,113 0.931,114 -3.52,115 -3.49,116 -3.33,119 37.7,120 1,125 8,142 5,143 1,144 1,146 1,147 1,150 1,158 1,172 4,174 5,175 6,180 2,183 5,186 2,187 2,192 2,195 4,198 2,199 5,204 1,207 1,211 4,212 9,215 1,217 1,220 1,224 3,236 4,237 8,240 3,245 1,250 4,262 2,263 5,271 1,275 1246,276 19.016,277 19.016,278 19.016,279 19.016,280 19.016,281 17.473,282 25.667,283 11.291,284 19.628,285 15.331,286 15.331,287 15.331,288 15.331,289 15.331,290 12.93,291 37.062,292 5.396,293 16.324,294 4.13,295 2.419,296 1.498,297 0.995,298 0.844,299 0.844,300 4.074,303 1,304 1,305 1,306 581,307 2.646,311 360.886,318 1.492,319 28.688,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 61.5,331 269,332 4.399,333 3.671,334 6.389,335 4.018,336 3.077,337 4.058,338 1.94,339 9.951,340 2.915,341 4.056,342 3.241,343 6.055,344 3.757,345 2.808,346 3.587,347 0.86,348 8.765,349 2.662,350 3.914,351 3,352 6.029,353 3.667,354 2.725,355 3.068,356 0.8,357 8.678,358 2.554,359 3.747,360 2.861,361 5.875,362 3.509,363 2.571,364 2.936,365 0.8,366 8.035,367 2.396,368 3.55,369 2.473,370 5.057,371 3.174,372 2.223,373 2.861,374 0.555,375 6.104,376 2.106,377 3.044,378 2.278,379 4.621,380 2.761,381 1.841,382 2.134,384 4.87,385 1.693,386 2.81,387 2.241,388 4.268,389 2.518,390 1.568,391 1.887,393 3.953,394 1.474,395 2.774,396 1.72,397 4.121,398 2.326,399 1.355,400 1.819,402 3.509,403 1.308,404 2.552,405 1.358,406 3.715,407 2.116,408 1.154,409 1.569,411 2.718,412 1.104,413 2.315,414 1.307,415 3.49,416 1.967,417 1,418 1.24,420 2.556,421 0.965,422 2.189,423 1.256,424 3.469,425 1.959,426 1,427 1.152,428 2.475,429 0.953,430 2,431 1.146,432 3.414,433 1.952,434 1,435 1,436 2.275,437 0.946,438 2,439 1.038,440 3.247,441 1.905,442 1,443 1,445 2.136,446 0.897,447 0.987,448 0.374,449 2.68,450 0.605,451 -0.353,452 -0.399,454 -0.864,455 -0.335,456 0.893,457 -0.057,458 2.637,459 0.561,460 -0.387,461 -0.494,463 -0.917,464 -0.361,465 13,466 0.464,467 0.661,468 0.024,469 34.75,470 1.241,471 15,472 0.536,473 19.75,474 0.705,475 24.167,476 0.863,477 31.4,478 0.592,479 26.382,480 0.942,481 6.92,482 0.247,483 6.678,484 0.238,485 0.09,487 0.323,493 0.865,494 1.691,495 0.799,496 1.297,497 0.712,498 1.074,499 1.032,500 1.038,501 0.922,502 0.909,503 0.581,504 0.886,505 1.183,506 1.028,507 1.077,508 0.915,509 1.039,510 0.958,511 0.896,512 1.18,513 1.055,514 1.127,515 1.075,516 1.114,517 0.763,518 0.964,519 0.866,520 0.839,521 0.868,522 0.859,523 0.949,524 1.081,525 0.995,526 0.914,527 0.581,528 0.923,529 0.592,530 1.104,531 1.117,532 1.255,533 0.5,534 1.273,535 0.67,536 1.128,537 1.008,538 1.285,539 0.637,540 1.224,541 5.5,542 0.14,543 3.111,544 1.25,545 1.209,546 1.319,547 0.549,548 0.269,549 0.348,550 0.287,551 9291,552 24748,553 2.115,554 47.2,556 21,559 1,560 3,564 1.717,565 2,566 3.251,567 -0.288,568 1,569 1,573 84.68,574 1.598,575 3.309,576 4.23,577 4.733,578 4.883,579 4.883,580 2.693,581 4.236,582 4.775,583 3.437,584 1299.12,585 8.346,586 17000,588 1,590 1,591 303.58,592 1.333,593 4.748,594 0.177,595 0.008,596 0.072,597 0.028,598 0.03,599 0.032,600 0.013,601 0.006,602 0.01,603 0.011,604 0.389,605 0.5,606 1,607 0.689,608 138.819,609 -0.055,610 -0.413,611 0.07,612 -0.161,613 -0.047,614 -0.047,615 -0.019,616 0.128,617 0.034,618 0.075,619 0.068,620 0.063,621 -0.169,622 0.055,623 -0.108,624 0.06,625 -0.112,626 -0.001,627 -0.079,628 -0.123,629 -0.109,630 -0.132,631 -0.126,632 -0.128,633 0.094,634 0.041,635 0.112,636 0.11,637 0.007,638 0.111,639 -0.16,640 0.045,641 -0.05,642 0.051,643 -0.05,644 0.039,645 0.148,646 0.046,647 -0.214,648 -0.201,649 0.092,650 -0.265,651 0.016,652 -0.183,653 -0.074,654 -0.236,655 0.006,656 -0.178,657 1.559,658 4.613,659 0.857,660 25.893,661 1.006,662 1.137,663 2.285,664 5.222,665 0.642,666 3.466,667 3.784,668 4.043,669 4.29,670 4.575,671 4.673,672 4.875,673 4.977,674 5.153,675 5.231,676 6.102,677 0.614,678 383.5,679 3.466,680 5.004,681 5.849,682 6.72,683 7.584,684 8.461,685 9.334,686 10.215,687 11.093,688 11.977,689 9.4,695 2,696 1,699 2,704 5,705 2,709 5,711 12,726 2,728 1,731 53,733 13,734 1,735 31,737 56,738 20,739 10,740 2,741 4,746 4,747 4,752 1,761 11,762 9,766 1,771 1,775 1,778 1,781 25,782 8,783 1,784 8,790 5,794 1,795 3,806 1,812 4,827 1,839 1,840 4,844 1,848 28,853 1,854 8,856 1,859 3,870 5.7,872 1,873 1,874 1,877 14,878 9.7,879 6.111,880 3.243,881 2.189,882 1.293,883 0.958,884 5.76,885 9.655,886 3.664,887 4.19,888 4.691,889 5.223,890 5.783,891 6.051,892 6.5,893 6.826,894 7.189,895 7.423,896 1,897 44,898 10.385,900 4.403,901 7.732,902 20.019,904 16.479,905 2.232,906 62.5,910 282.506,911 92.899,912 42.944,914 78.828,917 92.899,918 361.335,919 42.944,920 8.825,921 24.943,922 47.381,923 117.104,924 12.191,925 4.227,926 282.506,928 282.506,929 135.843,930 78.828,933 282.506,934 67.828,935 11,937 38.424,938 63.848,939 33.571,941 282.506,942 121.772,943 92.899,946 282.506,947 36.693,948 65.579,950 112.399,951 282.506,952 121.772,953 92.899,955 0.581,956 0.333,957 0.175,958 0.1,959 21,960 9,961 0.054,962 3,964 1,965 3.935,966 248.549,968 24,969 126.606,974 19.124,975 8.434,976 4.459,978 121.772,979 9.065,980 9.581,984 3.351,986 42.683,987 497.178,988 38,993 11.613,997 0.108,999 53.327,1000 60.272,1001 0.279,1002 0.578,1003 0.739,1004 0.826,1005 0.853,1006 0.853,1007 4.913,1008 1.355,1009 5.826,1010 3.953,1011 4.466,1012 4.875,1013 2.406,1014 6.613,1015 4.348,1016 6.079,1017 1.154,1018 7.37,1019 3.509,1020 4.007,1021 4.59,1022 1.803,1023 7.448,1024 3.829,1025 7.362,1026 1,1027 9.011,1028 2.718,1029 6.038,1030 6.935,1031 3.066,1032 10.525,1033 5.802,1034 8.675,1035 1,1036 10.71,1037 2.556,1038 6.382,1039 7.44,1040 3.157,1041 12.166,1042 6.086,1043 10.02,1044 1,1045 12.445,1046 2.475,1047 7.88,1048 9.296,1049 4.153,1050 14.734,1051 7.53,1052 11.386,1053 1,1054 14.203,1055 2.275,1056 8.598,1057 10.183,1058 4.543,1059 16.708,1060 8.189,1061 12.769,1062 -0.353,1063 15.978,1064 2.136,1065 9.863,1066 11.818,1067 5.386,1068 19.084,1069 9.403,1070 3.077,1071 -0.387,1072 17.765,1073 -0.864,1074 10.766,1075 12.913,1076 5.912,1077 21.209,1078 10.248,1079 2.808,1080 9.951,1081 19.559,1082 -0.917,1083 11.927,1084 14.435,1085 6.671,1086 23.511,1087 11.358,1088 2.725,1089 8.765,1090 21.36,1091 4.058,1092 12.922,1093 15.651,1094 7.263,1095 25.707,1096 12.297,1097 2.571,1098 8.678,1099 23.166,1100 3.587,1101 14.04,1102 17.113,1103 7.976,1104 27.983,1105 13.363,1106 2.223,1107 8.035,1108 24.976,1109 3.068,1110 15.083,1111 18.401,1112 8.602,1113 30.216,1114 14.351,1115 1.841,1116 6.104,1117 26.788,1118 2.936,1119 16.184,1120 19.83,1121 9.292,1122 32.485,1123 15.4,1124 1.568,1125 4.87,1126 28.604,1127 2.861,1128 17.253,1129 21.161,1130 9.936,1131 34.738,1132 16.415,1133 8887,1134 14606,1135 20.978,1136 34.006,1137 46.83,1138 47.562,1139 47.372,1140 46.681,1141 46.645,1142 56.622,1143 9.912,1144 132.049,1145 43.944,1146 5.399,1147 5.671,1148 6.191,1149 5.121,1150 5.077,1151 7.058,1152 3.348,1153 16.481,1154 4.915,1155 12.222,1156 1.511,1157 1.534,1158 1.528,1159 1.506,1160 1.505,1161 1.827,1162 0.32,1163 4.26,1164 1.418,1165 4.018,1166 4.063,1167 3.975,1168 3.906,1169 7.428,1170 3.915,1171 3.844,1172 3.892,1173 3.768,1174 3.682,1175 6.471,1176 3.699,1177 3.778,1178 3.835,1179 3.683,1180 3.561,1181 4.984,1182 3.582,1183 3.611,1184 3.657,1185 3.525,1186 3.425,1187 4.613,1188 3.441,1189 3.386,1190 3.444,1191 3.262,1192 3.171,1193 4.56,1194 3.18,1195 3.111,1196 3.206,1197 2.889,1198 2.941,1199 4.296,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.899,1206 2.91,1207 2.969,1208 3.009,1209 2.866,1210 2.775,1211 3.862,1212 2.793,1213 0.142,1214 0.118,1215 0.206,1216 0.13,1217 0.099,1218 4.399,1219 0.131,1220 3.671,1221 0.063,1222 6.389,1223 0.321,1224 4.018,1225 0.094,1226 3.077,1227 4.058,1228 1.94,1229 9.951,1230 2.915,1231 1.944,1232 1.917,1233 2.036,1234 2.09,1235 1.285,1236 2.073,1237 1.794,1238 1.739,1239 1.964,1240 1.981,1241 1.198,1242 1.978,1243 1.711,1244 1.651,1245 1.915,1246 1.942,1247 1.095,1248 1.938,1249 1.54,1250 1.494,1251 1.699,1252 1.748,1253 0.825,1254 1.732,1255 1.344,1256 1.281,1257 1.617,1258 1.588,1259 0.825,1260 1.6,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.75,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.677,1272 1.429,1273 0.891,1274 0.848,1275 1.146,1276 1.16,1277 0.321,1278 1.149,1279 4.143,1281 5.46,1283 6.976,1285 8.577,1287 10.22,1289 1.608,1294 9.873,1295 5.666,1297 5.454,1300 6.18,1305 32.519,1306 84.68,1307 175.385,1308 224.196,1309 250.825,1310 258.825,1311 258.825,1312 44.763,1313 7.467,1314 82.03,1315 82.03,1316 24,1317 12.512,1318 3.807,1319 3,1320 42.07,1321 101,1322 106,1323 0.203,1324 198.512,1325 346.21,1326 476.13,1327 15839,1329 19.51,1330 0.697,1331 0.573,1332 19.51,1333 16.043,1334 13.597,1335 0.439,1336 0.31,1337 9.432,1338 12.884,1339 9.245,1340 7.559,1341 13.597,1342 9.616,1343 12.336,1344 0.287,1345 0.164,1346 12.336,1347 7.054,1348 10.203,1349 0.182,1350 0.093,1351 10.203,1352 5.186,1353 8.408,1354 0.117,1355 0.049,1356 8.408,1357 3.552,1358 7.036,1359 0.073,1360 0.025,1361 7.036,1362 2.432,1363 0.311,1364 86.28,1365 0.218,1366 26.39,1367 0.581,1368 148,1369 445.846,1370 166.77,1371 420.728,1372 573.31,1373 396,1374 173,1375 418.388,1376 191.969,1377 417.828,1378 613.39,1379 394,1380 6.244}
{0 CHEMBL1289234,1 1.769,2 13.029,3 1.777,4 3.156,5 130.312,6 8.647,7 0.579,8 4.146,9 4.248,10 3.964,11 3.708,12 5.307,13 3.702,14 4.675,15 4.815,16 4.27,17 4.115,18 5.985,19 4.089,20 4.905,21 5.074,22 4.342,23 4.281,24 6.062,25 4.214,26 4.99,27 5.177,28 4.322,29 4.258,30 6.196,31 4.193,32 4.989,33 5.201,34 4.268,35 4.175,36 6.337,37 4.125,38 4.786,39 4.966,40 4.184,41 4.132,42 5.99,43 4.087,44 4.84,45 5.036,46 4.153,47 4.115,48 6.067,49 4.058,50 4.858,51 5.093,52 4.037,53 4.027,54 6.061,55 3.951,56 0.163,57 0.914,58 11.658,59 4.629,60 25.523,61 5.058,62 0.626,63 1.427,64 19.693,65 8.115,66 62.582,67 9.137,68 0.545,69 1.75,70 29.906,71 11.464,72 58.085,73 12.778,74 0.658,75 1.83,76 36.321,77 11.855,78 101.947,79 13.236,80 1.114,81 1.72,82 35.076,83 11.257,84 145.691,85 13.673,86 0.428,87 1.544,88 23.303,89 9.203,90 55.816,91 11,92 0.497,93 1.641,94 26.172,95 9.263,96 65.22,97 11.276,98 0.77,99 1.525,100 29.058,101 9.643,102 97.332,103 12.43,104 18,105 55,106 0.285,107 0.656,108 0.798,109 0.855,110 0.861,111 0.861,112 3.561,113 0.946,114 -3.21,115 -3.2,116 -3.07,119 41.8,125 4,142 6,143 6,144 1,145 2,147 1,151 1,158 1,161 1,163 1,164 1,165 1,172 12,174 3,175 4,177 1,178 5,180 3,183 13,186 1,187 7,190 1,191 1,192 4,194 1,195 11,197 1,199 8,204 5,207 8,209 1,211 6,212 8,214 3,215 4,217 5,220 7,222 1,224 7,227 1,229 4,232 6,234 1,237 7,239 1,240 3,242 2,245 5,247 1,249 5,250 7,252 1,253 1,254 1,255 2,258 3,260 1,263 7,267 1,268 3,270 1,271 1,273 1,275 2042,276 23.065,277 23.065,278 23.065,279 23.065,280 23.065,281 20.154,282 17.405,283 13.377,284 23.513,285 18.708,286 18.708,287 18.708,288 18.708,289 18.708,290 14.101,291 19.584,292 6.277,293 19.417,294 4.012,295 1.71,296 0.827,297 0.473,298 0.436,299 0.436,300 4.266,305 1,306 972,307 3.606,310 79.863,311 420.769,314 139.764,318 1.915,319 43.823,322 1,323 0.67,324 1,325 0.6,327 0.83,328 0.5,329 0.66,330 74.5,331 443,332 4.81,333 4.058,334 7.311,335 4.381,336 3.398,337 4.579,338 2.035,339 12.526,340 3.341,341 4.626,342 3.479,343 6.73,344 4.175,345 3.191,346 4.564,347 0.86,348 10.992,349 3.145,350 4.286,351 3.189,352 6.232,353 3.885,354 2.903,355 3.949,356 0.4,357 9.346,358 2.854,359 4.105,360 2.957,361 5.922,362 3.625,363 2.646,364 3.724,366 8.259,367 2.589,368 3.854,369 2.671,370 5.752,371 3.449,372 2.472,373 3.298,375 7.803,376 2.408,377 3.638,378 2.51,379 5.246,380 3.121,381 2.146,382 2.941,384 6.475,385 2.09,386 3.163,387 2.421,388 4.915,389 2.941,390 2.019,391 2.271,393 5.357,394 1.855,395 3.129,396 2.146,397 4.554,398 2.486,399 1.519,400 2.204,402 4.411,403 1.467,404 2.976,405 1.78,406 4.384,407 2.463,408 1.492,409 2.137,411 4.112,412 1.445,413 2.841,414 1.519,415 4.172,416 2.377,417 1.453,418 1.955,420 3.766,421 1.339,422 2.831,423 1.517,424 3.945,425 2.208,426 1.222,427 1.814,428 2.996,429 1.204,430 2.63,431 1.478,432 3.62,433 2.041,434 1.169,435 1.543,436 2.73,437 1.011,438 2.529,439 1.256,440 3.483,441 2.006,442 1.034,443 1.231,445 2.508,446 1.003,447 2.255,448 1.222,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2.028,457 1.036,458 3.232,459 1.497,460 0.557,461 0.888,463 1.399,464 0.522,465 16.133,466 0.475,467 0.902,468 0.027,469 49.75,470 1.463,471 27,472 0.794,473 22.75,474 0.669,475 25.692,476 0.756,477 35.467,478 0.645,479 41.375,480 1.217,481 9.616,482 0.283,483 6.826,484 0.201,485 0.091,486 0.052,487 0.304,493 0.721,494 1.34,495 0.759,496 1.189,497 0.681,498 0.859,499 0.814,500 0.885,501 0.872,502 0.833,503 0.522,504 0.838,505 0.994,506 1.086,507 1.186,508 1.138,509 0.812,510 1.038,511 1.241,512 1.154,513 1.304,514 1.241,515 1.433,516 1.091,517 1.022,518 0.745,519 0.914,520 0.733,521 1.243,522 0.796,523 0.977,524 1.158,525 0.894,526 0.978,527 0.957,528 0.992,529 0.938,530 1.159,531 1.067,532 1.114,533 0.919,534 1.126,535 0.913,536 0.759,537 0.852,538 0.75,539 0.968,540 0.902,541 7.5,542 0.259,543 4.667,544 2.382,545 2.023,546 1.375,547 0.896,548 0.558,549 0.406,550 0.309,551 17163,552 52849,553 2.12,554 38.2,556 14,557 1,558 2,559 4,564 1.761,565 1.99,566 3.677,567 1.604,573 97.288,574 1.769,575 4.072,576 4.954,577 5.309,578 5.345,579 5.345,580 3.11,581 4.617,582 5.06,583 3.811,584 2137.88,585 8.878,586 32305.4,591 317.975,592 1.501,593 5.017,594 0.197,595 0.008,596 0.085,597 0.042,598 0.038,599 0.026,600 0.018,601 0.012,602 0.01,603 0.009,604 0.444,605 0.17,606 0.63,607 0.662,608 181.799,609 0.002,610 -0.17,611 0.187,612 -0.107,613 -0.125,614 0.036,615 0.187,616 0.202,617 0.005,618 0.137,619 0.197,620 0.054,621 -0.093,622 -0.044,623 -0.122,624 -0.05,625 -0.036,626 -0.064,627 -0.21,628 -0.137,629 -0.172,630 -0.152,631 -0.216,632 -0.111,633 0.181,634 0.205,635 0.076,636 0.212,637 0.074,638 0.176,639 -0.124,640 -0.142,641 -0.043,642 -0.044,643 -0.083,644 -0.042,645 -0.103,646 -0.113,647 -0.155,648 -0.179,649 -0.079,650 -0.184,651 0.07,652 0.192,653 0.062,654 0.143,655 -0.014,656 0.086,657 4.713,658 5.785,659 0.794,660 35.886,661 1.017,662 1.126,663 1.981,664 3.925,665 0.698,666 3.664,667 4.025,668 4.317,669 4.585,670 4.844,671 4.942,672 5.112,673 5.257,674 5.403,675 5.545,676 7.51,677 0.676,678 475.58,679 3.664,680 5.231,681 6.098,682 6.995,683 7.88,684 8.78,685 9.672,686 10.575,687 11.47,688 12.374,689 12.7,692 1,693 1,694 1,697 1,698 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,713 1,722 1,731 55,733 25,734 1,735 38,737 59,738 23,739 18,740 2,741 4,746 5,747 6,760 1,761 18,762 4,766 2,769 1,771 2,781 21,782 9,783 4,784 11,785 1,790 7,794 0.8,795 3,805 2,807 1,811 1,812 4,815 1,839 1,840 4,842 1,848 34,849 1,852 1,854 4,855 1,856 1,859 1,861 1,866 1,868 1,870 5.5,873 2,874 1,877 17.083,878 9.8,879 7.347,880 3.086,881 4.586,882 1.542,883 1.038,884 5.946,885 13.05,886 3.989,887 4.637,888 5.232,889 5.844,890 6.434,891 6.845,892 7.374,893 7.87,894 8.306,895 8.781,896 0.889,897 57,898 12.806,900 5.838,901 7.939,902 23.604,904 19.848,905 2.439,906 82.917,910 200.109,911 144.867,912 132.237,914 55.313,916 5.569,917 139.298,918 255.422,919 132.237,921 13.396,922 104.371,923 147.148,924 88.716,925 14.099,926 164.795,928 200.109,929 271.535,930 55.313,931 5.569,933 200.109,934 44.313,935 11,937 82.57,938 138.989,939 55.545,941 200.109,942 187.55,943 144.867,945 5.569,946 200.109,947 38.697,948 85.518,949 49.792,950 152.84,951 200.109,952 187.55,953 144.867,955 0.589,956 0.35,957 0.185,958 0.104,959 28,960 12,961 0.085,962 5,963 1,964 1.074,965 4.423,966 331.761,967 0.074,968 27,969 166.974,973 1,974 22.331,975 9.054,976 4.506,977 1.553,978 170.764,979 16.031,980 8.698,981 3.154,984 4.017,986 66.088,987 532.526,988 53,991 -3.797,993 25.571,999 55.956,1000 61.943,1001 0.306,1002 0.704,1003 0.857,1004 0.918,1005 0.925,1006 0.925,1007 5.25,1008 1.519,1009 6.116,1010 5.357,1011 4.71,1012 5.325,1013 2.405,1014 6.982,1015 4.646,1016 6.5,1017 1.492,1018 7.715,1019 4.411,1020 4.443,1021 5.366,1023 8.143,1024 4.394,1025 7.853,1026 1.453,1027 9.424,1028 4.112,1029 6.395,1030 7.666,1031 3.595,1032 11.203,1033 6.297,1034 9.247,1035 1.222,1036 11.201,1037 3.766,1038 6.957,1039 8.538,1041 13.193,1042 6.873,1043 10.676,1044 1.169,1045 13.023,1046 2.996,1047 8.408,1048 10.339,1049 4.968,1050 15.835,1051 8.287,1052 12.131,1053 1.034,1054 14.876,1055 2.73,1056 9.326,1057 11.561,1059 18.136,1060 9.208,1061 13.604,1062 1,1063 16.751,1064 2.508,1065 10.598,1066 13.179,1067 6.379,1068 20.664,1069 10.453,1070 3.398,1071 0.557,1072 18.645,1073 2.136,1074 11.671,1075 14.556,1077 23.086,1078 11.52,1079 3.191,1080 12.526,1081 20.551,1082 1.399,1083 12.882,1084 16.104,1085 7.797,1086 25.588,1087 12.71,1088 2.903,1089 10.992,1090 22.469,1091 4.579,1092 14.021,1093 17.552,1095 28.058,1096 13.838,1097 2.646,1098 9.346,1099 24.396,1100 4.564,1101 15.215,1102 19.074,1103 9.217,1104 30.559,1105 15.014,1106 2.472,1107 8.259,1108 26.331,1109 3.949,1110 16.385,1111 20.555,1113 33.052,1114 16.17,1115 2.146,1116 7.803,1117 28.273,1118 3.724,1119 17.577,1120 22.07,1121 10.638,1122 35.557,1123 17.345,1124 2.019,1125 6.475,1126 30.22,1127 3.298,1128 18.763,1129 23.567,1131 38.062,1132 18.515,1133 16045,1134 28329,1135 25.542,1136 38.381,1137 58.962,1138 61.08,1139 59.088,1140 57.563,1141 57.692,1142 78.276,1143 6.589,1144 171.867,1145 55.611,1146 5.81,1147 6.058,1148 7.113,1149 5.484,1150 5.398,1151 7.579,1152 4.069,1153 19.914,1154 5.341,1155 15.567,1156 1.552,1157 1.607,1158 1.555,1159 1.515,1160 1.518,1161 2.06,1162 0.173,1163 4.523,1164 1.463,1165 4.157,1166 4.189,1167 4.724,1168 4.071,1169 7.717,1170 4.077,1171 4.022,1172 4.023,1173 4.116,1174 3.929,1175 6.999,1176 3.867,1177 3.875,1178 3.902,1179 3.845,1180 3.806,1181 6.82,1182 3.785,1183 3.787,1184 3.829,1185 3.757,1186 3.665,1187 5.174,1188 3.659,1189 3.549,1190 3.55,1191 3.519,1192 3.361,1193 5.049,1194 3.336,1195 3.349,1196 3.401,1197 3.295,1198 3.209,1199 4.673,1200 3.21,1201 3.169,1202 3.224,1203 3.129,1204 3.012,1205 4.611,1206 3.032,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.558,1212 2.91,1213 0.127,1214 0.107,1215 0.192,1216 0.115,1217 0.089,1218 4.81,1219 0.12,1220 4.058,1221 0.054,1222 7.311,1223 0.33,1224 4.381,1225 0.088,1226 3.398,1227 4.579,1228 2.035,1229 12.526,1230 3.341,1231 1.991,1232 1.971,1233 2.055,1234 2.083,1235 1.235,1236 2.083,1237 1.904,1238 1.883,1239 1.979,1240 2.01,1241 1.193,1242 2.023,1243 1.792,1244 1.781,1245 1.9,1246 1.971,1247 1.069,1248 1.974,1249 1.676,1250 1.635,1251 1.773,1252 1.868,1253 0.864,1254 1.847,1255 1.435,1256 1.38,1257 1.576,1258 1.637,1259 0.825,1260 1.633,1261 1.351,1262 1.369,1263 1.513,1264 1.567,1265 0.601,1266 1.591,1267 1.153,1268 1.065,1269 1.276,1270 1.376,1271 0.553,1272 1.429,1273 1.113,1274 1.064,1275 1.223,1276 1.322,1277 0.288,1278 1.314,1279 4.344,1281 5.694,1282 2.398,1283 7.242,1284 4.727,1285 8.874,1286 6.843,1287 10.549,1293 5.977,1295 1.228,1296 2.546,1297 5.232,1300 1.317,1303 9.233,1304 2.156,1305 37.169,1306 97.288,1307 223.936,1308 272.465,1309 291.975,1310 293.975,1311 293.975,1312 68.044,1313 8.464,1314 150.02,1315 158.4,1316 29,1317 12.895,1318 4.7,1319 4,1320 49.992,1321 154,1322 153,1323 0.158,1324 229.978,1325 391.26,1326 552.907,1327 63293,1329 23.709,1330 0.697,1331 0.554,1332 23.959,1333 18.84,1334 16.442,1335 0.433,1336 0.315,1337 10.485,1338 15.004,1339 10.191,1340 8.376,1341 17.263,1342 11.977,1343 15.277,1344 0.278,1345 0.172,1346 16.578,1347 9.461,1348 13.084,1349 0.177,1350 0.097,1351 14.175,1352 7.157,1353 10.802,1354 0.111,1355 0.052,1356 11.858,1357 5.062,1358 9.042,1359 0.072,1360 0.027,1361 10.006,1362 3.408,1363 0.248,1364 111.8,1365 0.198,1366 31.349,1367 0.43,1368 186,1369 580.625,1370 241.805,1371 586.146,1372 798.43,1373 542,1374 222,1375 561.175,1376 288.046,1377 608.539,1378 887.44,1379 570,1380 6.886}
{0 CHEMBL1289235,1 1.771,2 13.75,3 1.865,4 3.478,5 137.501,6 8.236,7 0.55,8 4.263,9 4.364,10 4.03,11 3.758,12 5.38,13 3.76,14 4.807,15 4.956,16 4.333,17 4.152,18 6.067,19 4.14,20 4.978,21 5.132,22 4.431,23 4.331,24 6.121,25 4.281,26 5.102,27 5.275,28 4.417,29 4.357,30 6.264,31 4.297,32 5.169,33 5.383,34 4.342,35 4.303,36 6.422,37 4.24,38 4.974,39 5.168,40 4.265,41 4.244,42 6.075,43 4.186,44 5.009,45 5.215,46 4.259,47 4.227,48 6.132,49 4.166,50 5.021,51 5.247,52 4.165,53 4.171,54 6.149,55 4.094,56 0.195,57 0.984,58 14.495,59 5.413,60 22.947,61 6.352,62 0.827,63 1.509,64 26.074,65 9.315,66 73.487,67 10.84,68 0.718,69 1.817,70 33.276,71 12.227,72 54.685,73 14.066,74 0.755,75 1.959,76 40.619,77 13.156,78 89.256,79 15.637,80 1.348,81 1.913,82 43.248,83 13.389,84 149.365,85 17.094,86 0.587,87 1.731,88 31.179,89 11.553,90 55.349,91 14.904,92 0.714,93 1.783,94 34.24,95 11.269,96 68.69,97 14.803,98 0.901,99 1.71,100 34.398,101 11.185,102 86.603,103 15.076,104 30,105 58,106 0.281,107 0.635,108 0.783,109 0.828,110 0.838,111 0.843,112 3.616,113 0.948,114 -3.04,115 -3.04,116 -2.93,119 38.7,124 2,125 4,142 5,143 5,144 3,145 2,147 1,151 1,161 1,163 1,164 1,165 1,172 9,174 3,175 5,177 1,178 5,180 3,183 9,186 2,187 9,190 1,191 1,192 4,194 1,195 8,197 1,199 9,204 5,207 6,209 1,211 6,212 8,214 3,215 4,217 4,220 5,222 1,224 7,227 2,229 3,232 4,234 1,236 1,237 7,239 1,240 3,242 2,245 3,247 1,249 5,250 8,252 1,253 1,254 1,255 2,258 1,260 1,263 7,267 1,268 3,270 1,273 1,275 2420,276 24.436,277 24.436,278 24.436,279 24.436,280 24.436,281 21.616,282 21.313,283 14.049,284 25.218,285 19.606,286 19.606,287 19.606,288 19.606,289 19.606,290 15.096,291 25.18,292 6.47,293 20.655,294 4.183,295 1.95,296 1.018,297 0.734,298 0.67,299 0.637,300 4.319,306 1077,307 3.808,310 86.288,311 453.241,314 151.643,318 2.097,319 45.48,322 0.5,323 0.67,324 0.67,325 0.6,327 0.5,328 0.5,329 0.49,330 80,331 495,332 4.81,333 3.479,334 7.311,335 4.381,336 3.398,337 4.58,338 0.86,339 12.526,340 3.341,341 4.63,342 3.253,343 6.733,344 4.181,345 3.198,346 4.565,347 0.86,348 11.005,349 3.147,350 4.302,351 3.115,352 6.241,353 3.901,354 2.926,355 3.967,356 0.86,357 9.381,358 2.861,359 4.209,360 2.946,361 6.15,362 3.768,363 2.819,364 3.872,365 0.4,366 9.044,367 2.67,368 3.869,369 2.614,370 5.906,371 3.495,372 2.527,373 3.326,375 8.161,376 2.437,377 3.635,378 2.431,379 5.653,380 3.218,381 2.259,382 3.034,384 7.386,385 2.16,386 3.129,387 2.318,388 4.915,389 2.941,390 2.02,391 2.244,393 5.357,394 1.855,395 3.003,396 2.171,397 4.615,398 2.523,399 1.613,400 2.198,402 4.529,403 1.462,404 2.969,405 1.78,406 4.41,407 2.471,408 1.515,409 2.136,411 4.219,412 1.448,413 2.919,414 1.553,415 4.346,416 2.463,417 1.491,418 2.057,420 4.039,421 1.442,422 2.835,423 1.517,424 4.172,425 2.377,426 1.453,427 1.955,428 3.766,429 1.339,430 2.589,431 1.478,432 3.957,433 2.075,434 1.169,435 1.632,436 2.965,437 1.068,438 2.255,439 1.256,440 3.62,441 2.041,442 1.108,443 1.231,445 2.73,446 1.011,447 2.082,448 1.163,449 3.249,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.993,458 3.247,459 1.624,460 0.717,461 0.927,463 1.539,464 0.645,465 16.9,466 0.469,467 0.953,468 0.026,469 49.5,470 1.375,471 25,472 0.694,473 24.5,474 0.681,475 29.828,476 0.829,477 39.5,478 0.637,479 43.413,480 1.206,481 9.885,482 0.275,483 7.505,484 0.208,485 0.122,486 0.049,487 0.32,493 0.791,494 1.473,495 0.775,496 1.297,497 0.77,498 0.949,499 1.056,500 0.848,501 0.868,502 0.755,503 0.656,504 0.748,505 0.978,506 1.131,507 1.153,508 1.14,509 0.91,510 1.018,511 1.152,512 1.255,513 1.276,514 1.305,515 1.493,516 1.155,517 1.021,518 0.789,519 0.943,520 0.783,521 1.287,522 0.867,523 0.818,524 1.161,525 0.85,526 1.016,527 0.893,528 1.022,529 0.85,530 1.111,531 0.962,532 1.042,533 0.849,534 1.038,535 0.843,536 0.914,537 0.873,538 0.865,539 0.921,540 0.998,541 8,542 0.296,543 5.333,544 2.569,545 2.334,546 1.549,547 1.002,548 0.655,549 0.491,550 0.375,551 19861,552 59713,553 2.096,554 41.9,556 19,557 1,558 2,559 4,564 1.775,565 1.955,566 3.75,567 1.578,573 109.79,574 1.771,575 4.004,576 4.936,577 5.22,578 5.285,579 5.317,580 3.226,581 4.948,582 5.141,583 3.891,584 2451.02,585 9.041,586 38765.8,591 369.16,592 1.548,593 5.093,594 0.2,595 0.008,596 0.092,597 0.041,598 0.04,599 0.028,600 0.019,601 0.013,602 0.011,603 0.009,604 0.46,605 0.17,606 0.63,607 0.771,608 196.329,609 -0.017,610 -0.238,611 0.189,612 -0.151,613 -0.166,614 0.007,615 0.042,616 0.257,617 0.058,618 0.238,619 0.2,620 0.173,621 -0.057,622 -0.017,623 -0.102,624 -0.024,625 -0.035,626 -0.043,627 -0.192,628 -0.186,629 -0.194,630 -0.204,631 -0.217,632 -0.175,633 0.07,634 0.169,635 0.018,636 0.151,637 0.075,638 0.099,639 -0.033,640 -0.136,641 0.009,642 -0.054,643 -0.04,644 -0.03,645 -0.027,646 -0.067,647 -0.045,648 -0.086,649 -0.037,650 -0.065,651 0.04,652 0.077,653 -0.004,654 0.021,655 -0.009,656 -0.032,657 4.715,658 5.835,659 0.75,660 40.747,661 1.019,662 1.131,663 1.807,664 3.265,665 0.67,666 3.714,667 4.078,668 4.382,669 4.644,670 4.898,671 5.011,672 5.187,673 5.338,674 5.493,675 5.635,676 7.899,677 0.648,678 510.63,679 3.714,680 5.283,681 6.155,682 7.054,683 7.942,684 8.844,685 9.739,686 10.642,687 11.54,688 12.446,689 9.7,692 1,693 1,694 1,697 1,699 2,703 2,704 8,705 2,706 1,709 8,711 22,722 1,729 2,731 62,733 24,734 1,735 40,737 66,738 24,739 18,740 3,741 3,746 5,747 6,761 18,762 6,766 2,769 1,771 2,781 26,782 10,783 4,784 12,785 1,790 6,794 0.8,795 5,805 2,807 1,811 1,812 4,815 1,839 1,840 4,842 1,844 2,848 36,849 1,852 1,854 4,855 1,856 3,859 1,870 8.1,873 2,874 1,875 2,877 18.417,878 11.6,879 7.875,880 3.342,881 4.409,882 1.511,883 1.014,884 6.944,885 13.036,886 3.989,887 4.656,888 5.248,889 5.859,890 6.446,891 6.864,892 7.385,893 7.893,894 8.329,895 8.804,896 1,897 62,898 13.558,900 6.081,901 7.863,902 25.114,904 20.784,905 2.363,906 85.083,910 258.964,911 147.857,912 101.177,914 77.313,916 5.569,917 142.288,918 336.277,919 101.177,920 21.766,921 13.396,922 94.895,923 130.546,924 86.958,925 14.099,926 223.651,928 258.964,929 243.465,930 77.313,931 5.569,933 258.964,934 66.313,935 11,937 51.51,938 141.979,939 55.545,941 258.964,942 178.49,943 147.857,945 5.569,946 258.964,947 45.998,948 97.808,949 33.191,950 143.781,951 258.964,952 178.49,953 147.857,955 0.588,956 0.357,957 0.19,958 0.103,959 29,960 13,961 0.106,962 7,963 1,964 1.074,965 4.54,966 358.236,967 0.074,968 27,969 178.117,973 1,974 24.646,975 10.142,976 4.977,977 1.59,978 161.704,979 14.493,980 8.765,981 3.193,984 4.809,986 66.088,987 585.311,988 53,991 -3.798,993 25.67,999 63.16,1000 70.109,1001 0.297,1002 0.672,1003 0.829,1004 0.877,1005 0.888,1006 0.893,1007 5.25,1008 1.613,1009 6.176,1010 5.357,1011 4.762,1012 5.345,1013 1.751,1014 7.05,1015 4.676,1016 6.496,1017 1.515,1018 7.782,1019 4.529,1020 4.511,1021 5.427,1023 8.219,1024 4.438,1025 7.854,1026 1.491,1027 9.497,1028 4.219,1029 6.457,1030 7.692,1031 1.466,1032 11.277,1033 6.325,1034 9.255,1035 1.453,1036 11.277,1037 4.039,1038 7.031,1039 8.588,1041 13.259,1042 6.912,1043 10.691,1044 1.169,1045 13.101,1046 3.766,1047 8.474,1048 10.371,1049 1.234,1050 15.895,1051 8.315,1052 12.151,1053 1.108,1054 14.953,1055 2.965,1056 9.397,1057 11.604,1059 18.185,1060 9.241,1061 13.628,1062 1,1063 16.826,1064 2.73,1065 10.664,1066 13.213,1067 1.028,1068 20.706,1069 10.48,1070 3.398,1071 0.717,1072 18.716,1073 2.136,1074 11.736,1075 14.594,1077 23.119,1078 11.547,1079 3.198,1080 12.526,1081 20.619,1082 1.539,1083 12.942,1084 16.137,1085 0.845,1086 25.615,1087 12.734,1088 2.926,1089 11.005,1090 22.532,1091 4.58,1092 14.079,1093 17.585,1095 28.08,1096 13.861,1097 2.819,1098 9.381,1099 24.455,1100 4.565,1101 15.269,1102 19.104,1103 0.684,1104 30.576,1105 15.034,1106 2.527,1107 9.044,1108 26.384,1109 3.967,1110 16.435,1111 20.583,1113 33.066,1114 16.188,1115 2.259,1116 8.161,1117 28.321,1118 3.872,1119 17.624,1120 22.095,1121 0.546,1122 35.568,1123 17.362,1124 2.02,1125 7.386,1126 30.263,1127 3.326,1128 18.806,1129 23.591,1131 38.07,1132 18.53,1133 18714,1134 32642,1135 26.641,1136 41.568,1137 60.356,1138 61.773,1139 62.731,1140 60.34,1141 60.552,1142 80.069,1143 5.96,1144 181.638,1145 57.57,1146 5.81,1147 5.479,1148 7.113,1149 5.484,1150 5.398,1151 7.58,1152 1.72,1153 19.914,1154 5.341,1155 18.298,1156 1.509,1157 1.544,1158 1.568,1159 1.508,1160 1.514,1161 2.002,1162 0.149,1163 4.541,1164 1.439,1165 4.158,1166 4.188,1167 4.724,1168 4.068,1169 7.717,1170 4.075,1171 4.022,1172 4.023,1173 4.117,1174 3.927,1175 6.999,1176 3.863,1177 3.876,1178 3.895,1179 3.848,1180 3.786,1181 5.175,1182 3.772,1183 3.789,1184 3.825,1185 3.762,1186 3.656,1187 5.059,1188 3.655,1189 3.55,1190 3.55,1191 3.52,1192 3.361,1193 4.903,1194 3.335,1195 3.358,1196 3.406,1197 3.295,1198 3.204,1199 4.611,1200 3.207,1201 3.247,1202 3.314,1203 3.067,1204 2.968,1205 4.572,1206 2.98,1207 3.22,1208 3.291,1209 3.049,1210 2.945,1211 4.496,1212 2.955,1213 0.12,1214 0.087,1215 0.183,1216 0.11,1217 0.085,1218 4.81,1219 0.114,1220 3.479,1221 0.022,1222 7.311,1223 0.313,1224 4.381,1225 0.084,1226 3.398,1227 4.58,1228 0.86,1229 12.526,1230 3.341,1231 1.985,1232 1.966,1233 2.042,1234 2.083,1235 1.235,1236 2.082,1237 1.888,1238 1.872,1239 1.96,1240 2.012,1241 1.192,1242 2.019,1243 1.789,1244 1.779,1245 1.9,1246 1.974,1247 1.066,1248 1.968,1249 1.674,1250 1.633,1251 1.772,1252 1.869,1253 0.862,1254 1.847,1255 1.43,1256 1.379,1257 1.609,1258 1.658,1259 0.825,1260 1.647,1261 1.351,1262 1.369,1263 1.576,1264 1.572,1265 0.623,1266 1.599,1267 1.192,1268 1.116,1269 1.513,1270 1.523,1271 0.574,1272 1.539,1273 1.172,1274 1.097,1275 1.507,1276 1.457,1277 0.553,1278 1.479,1279 4.394,1281 5.746,1282 2.398,1283 7.299,1284 4.727,1285 8.937,1286 6.843,1287 10.618,1289 3.185,1293 6.005,1295 1.24,1296 2.562,1297 16.044,1300 1.325,1305 40.157,1306 109.79,1307 248.248,1308 306.041,1309 323.65,1310 327.65,1311 329.65,1312 72.058,1313 8.627,1314 144.69,1315 153.07,1316 29,1317 12.965,1318 4.644,1319 3.807,1320 54.479,1321 171,1322 171,1323 0.154,1324 246.624,1325 420.42,1326 593.522,1327 76853,1329 25.286,1330 0.702,1331 0.573,1332 25.536,1333 20.632,1334 17.391,1335 0.435,1336 0.316,1337 11.077,1338 15.691,1339 10.705,1340 8.838,1341 18.212,1342 12.644,1343 15.986,1344 0.276,1345 0.17,1346 17.287,1347 9.838,1348 13.912,1349 0.176,1350 0.096,1351 15.003,1352 7.549,1353 11.499,1354 0.112,1355 0.052,1356 12.555,1357 5.31,1358 9.489,1359 0.071,1360 0.027,1361 10.453,1362 3.562,1363 0.244,1364 119.369,1365 0.194,1366 32.882,1367 0.419,1368 196,1369 640.451,1370 256.868,1371 624.755,1372 853.1,1373 582,1374 235,1375 599.858,1376 306.471,1377 644.686,1378 943.57,1379 601,1380 7.796}
{0 CHEMBL1289306,1 1.599,2 8.08,3 2.491,4 6.204,5 96.446,6 7.286,7 0.429,8 3.975,9 4.091,10 3.532,11 3.424,12 5.014,13 3.43,14 4.553,15 4.733,16 3.867,17 3.807,18 5.562,19 3.794,20 4.773,21 4.992,22 3.882,23 3.956,24 5.709,25 3.896,26 4.742,27 4.986,28 3.811,29 3.925,30 5.663,31 3.842,32 4.717,33 4.958,34 3.879,35 3.899,36 5.714,37 3.84,38 4.659,39 4.859,40 3.875,41 3.922,42 5.6,43 3.879,44 4.771,45 4.97,46 3.876,47 4.034,48 5.718,49 3.939,50 4.971,51 5.229,52 3.697,53 4.064,54 5.736,55 3.902,56 0.054,57 0.709,58 10.336,59 4.072,60 6.986,61 5.523,62 0.412,63 1.13,64 20.93,65 6.518,66 26.286,67 9.015,68 0.533,69 1.337,70 27.09,71 8.034,72 34.763,73 11.957,74 0.341,75 1.335,76 25.883,77 8.011,78 31.554,79 12.383,80 0.495,81 1.288,82 25.604,83 7.421,84 44.966,85 11.691,86 0.313,87 1.288,88 22.891,89 6.915,90 21.422,91 10.377,92 0.508,93 1.369,94 25.615,95 9.215,96 31.909,97 13.242,98 0.3,99 1.418,100 33.486,101 12.525,102 31.649,103 17.919,104 2,105 38,106 0.275,107 0.556,108 0.672,109 0.729,110 0.773,111 0.81,112 3.268,113 0.925,114 -3.48,115 -3.46,116 -3.3,119 38.3,125 8,142 5,143 1,144 1,146 1,147 1,150 1,172 4,174 4,175 4,180 2,183 5,186 2,187 2,192 2,195 4,198 2,199 5,204 1,207 1,211 3,212 8,215 1,217 1,220 1,224 3,236 3,237 6,240 3,250 4,263 2,275 842,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 16.001,282 23.066,283 10.569,284 18.051,285 13.897,286 13.897,287 13.897,288 13.897,289 13.897,290 11.781,291 33.386,292 5.101,293 14.995,294 3.956,295 2.324,296 1.651,297 1.319,298 1.064,299 0.851,300 3.971,303 1,304 1,305 1,306 442,307 1.871,311 308.02,318 1.056,319 23.266,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 55,331 202,332 4.398,333 3.247,334 6.387,335 4.014,336 3.072,337 4.058,338 0.86,339 9.946,340 2.912,341 4.05,342 3.013,343 6.039,344 3.695,345 2.738,346 3.587,347 0.86,348 8.733,349 2.598,350 3.795,351 2.864,352 6.016,353 3.596,354 2.684,355 2.972,356 0.8,357 8.629,358 2.445,359 3.557,360 2.483,361 5.058,362 3.186,363 2.237,364 2.869,365 0.8,366 6.112,367 2.116,368 3.073,369 2.285,370 4.633,371 2.807,372 1.891,373 2.16,375 4.933,376 1.727,377 2.838,378 2.25,379 4.283,380 2.587,381 1.697,382 1.889,384 4.065,385 1.505,386 2.784,387 1.701,388 4.123,389 2.334,390 1.386,391 1.879,393 3.542,394 1.31,395 2.551,396 1.351,397 3.509,398 2.105,399 1.174,400 1.573,402 2.689,403 1.089,404 2.227,405 1.288,406 3.472,407 1.952,408 1,409 1.206,411 2.509,412 0.946,413 2.166,414 1.256,415 3.469,416 1.952,417 1,418 1.132,420 2.473,421 0.946,422 2,423 1.256,424 3.247,425 1.928,426 1,427 1,428 2.136,429 0.92,430 2,431 1.036,432 3.247,433 1.884,434 1,435 1,436 2.136,437 0.878,438 0.984,439 -0.057,440 2.667,441 0.563,442 -0.383,443 -0.492,445 -0.868,446 -0.356,447 0.849,448 -0.299,449 2.6,450 0.475,451 -0.456,452 -0.533,454 -1.194,455 -0.423,456 0.834,457 -0.355,458 2.384,459 0.439,460 -0.491,461 -0.589,463 -1.308,464 -0.454,465 11.6,466 0.464,467 0.465,468 0.019,469 31.25,470 1.25,471 13.5,472 0.54,473 17.75,474 0.71,475 19.992,476 0.8,477 28,478 0.596,479 22.224,480 0.889,481 6.235,482 0.249,483 6.058,484 0.242,485 0.029,487 0.284,493 0.938,494 1.625,495 0.791,496 1.287,497 0.903,498 1.053,499 1.308,500 1,501 1.009,502 0.91,503 0.819,504 0.902,505 1.125,506 1.069,507 1.044,508 0.903,509 0.99,510 0.946,511 0.695,512 1.13,513 0.945,514 1.031,515 0.844,516 1.016,517 0.674,518 1.017,519 0.826,520 0.844,521 0.709,522 0.841,523 1.065,524 1.194,525 1.115,526 1.053,527 0.9,528 1.055,529 0.596,530 1.086,531 1.149,532 1.258,533 0.609,534 1.294,535 0.624,536 1.078,537 0.991,538 1.322,539 0.651,540 1.249,541 4,542 0.025,543 2.222,544 0.938,545 0.938,546 1.083,547 0.389,548 0.174,549 0.196,550 0.105,551 6844,552 17662,553 2.179,554 46.8,556 21,559 1,564 1.689,565 2.113,566 3.049,567 -0.277,568 1,569 1,573 75.145,574 1.599,575 3.231,576 3.903,577 4.235,578 4.491,579 4.704,580 2.272,581 3.684,582 4.615,583 3.202,584 960.497,585 8.029,586 11610.7,588 1,590 1,591 261.066,592 1.078,593 4.606,594 0.143,595 0.005,596 0.058,597 0.025,598 0.027,599 0.029,600 0.01,601 0.005,602 0.007,603 0.007,604 0.315,605 0.5,606 1,607 0.372,608 118.265,609 -0.063,610 -0.375,611 0.076,612 -0.16,613 -0.062,614 -0.04,615 -0.137,616 0.137,617 -0.042,618 0.074,619 -0.003,620 0.033,621 -0.122,622 -0.012,623 -0.076,624 0.068,625 -0.089,626 0.011,627 -0.022,628 -0.053,629 -0.012,630 -0.059,631 -0.059,632 -0.035,633 0.117,634 0.058,635 0.13,636 0.109,637 0.119,638 0.122,639 -0.212,640 -0.018,641 -0.189,642 -0.072,643 -0.147,644 -0.105,645 0.155,646 0.035,647 -0.246,648 -0.219,649 0.074,650 -0.295,651 0.053,652 -0.178,653 -0.056,654 -0.272,655 0.049,656 -0.194,657 1.433,658 3.813,659 0.96,660 19.558,661 1.007,662 1.135,663 2.248,664 5.051,665 0.643,666 3.367,667 3.664,668 3.932,669 4.205,670 4.489,671 4.533,672 4.745,673 4.86,674 4.977,675 4.99,676 5.401,677 0.616,678 342.44,679 3.367,680 4.89,681 5.733,682 6.6,683 7.462,684 8.337,685 9.209,686 10.089,687 10.966,688 11.849,689 8.5,695 2,699 2,704 5,705 2,709 5,711 12,726 2,728 1,731 47,733 12,734 1,735 28,737 50,738 18,739 10,740 2,741 4,746 4,747 4,761 10,762 8,777 1,778 1,781 22,782 7,783 1,784 7,790 4,794 1,795 3,806 1,812 4,839 2,840 4,848 25,853 1,854 8,856 2,859 2,870 6.4,872 1,874 2,877 11.833,878 8.25,879 5.5,880 2.868,881 2.162,882 1.3,883 0.963,884 5.014,885 9.375,886 3.555,887 4.078,888 4.615,889 5.179,890 5.752,891 6.003,892 6.449,893 6.771,894 7.102,895 7.29,896 0.667,897 38,898 9.26,900 3.917,901 7.633,902 17.987,904 14.809,905 2.133,906 53.333,909 1,910 247.193,911 84.343,912 39.82,914 64.683,917 84.343,918 311.876,919 39.82,921 26.792,922 47.381,923 98.254,924 12.191,925 4.227,926 247.193,928 247.193,929 124.163,930 64.683,933 247.193,934 42.683,935 22,937 31.448,938 59.143,939 33.571,941 247.193,942 104.503,943 84.343,946 247.193,947 36.962,948 53.63,950 98.254,951 247.193,952 104.503,953 84.343,955 0.57,956 0.328,957 0.184,958 0.107,959 19,960 7,961 0.06,962 3,964 1,965 3.73,966 213.994,968 24,969 108.096,974 16.578,975 7.561,976 3.866,978 104.503,979 9.166,980 9.549,984 3.543,986 42.683,987 436.039,988 34,999 47.342,1000 53.358,1001 0.288,1002 0.582,1003 0.703,1004 0.763,1005 0.808,1006 0.847,1007 4.787,1008 1.174,1009 5.687,1010 3.542,1011 4.344,1012 4.762,1013 1.771,1014 6.46,1015 4.205,1016 5.936,1017 1,1018 7.212,1019 2.689,1020 3.761,1021 4.388,1022 0.57,1023 7.248,1024 3.561,1025 7.209,1026 1,1027 8.838,1028 2.509,1029 5.889,1030 6.835,1031 1.413,1032 10.364,1033 5.628,1034 8.516,1035 1,1036 10.527,1037 2.473,1038 6.155,1039 7.302,1040 0.479,1041 12.002,1042 5.836,1043 9.859,1044 1,1045 12.256,1046 2.136,1047 7.713,1048 9.218,1049 1.15,1050 14.592,1051 7.338,1052 11.226,1053 -0.383,1054 14.012,1055 2.136,1056 8.392,1057 10.095,1058 0.346,1059 16.577,1060 7.962,1061 12.612,1062 -0.456,1063 15.788,1064 -0.868,1065 9.69,1066 11.762,1067 0.93,1068 18.968,1069 9.207,1070 3.072,1071 -0.491,1072 17.576,1073 -1.194,1074 10.578,1075 12.858,1076 0.237,1077 21.105,1078 10.041,1079 2.738,1080 9.946,1081 19.375,1082 -1.308,1083 11.758,1084 14.398,1085 0.742,1086 23.419,1087 11.169,1088 2.684,1089 8.733,1090 21.18,1091 4.058,1092 12.75,1093 15.618,1094 0.158,1095 25.625,1096 12.108,1097 2.237,1098 8.629,1099 22.991,1100 3.587,1101 13.879,1102 17.089,1103 0.583,1104 27.91,1105 13.186,1106 1.891,1107 6.112,1108 24.806,1109 2.972,1110 14.925,1111 18.381,1112 0.104,1113 30.151,1114 14.18,1115 1.697,1116 4.933,1117 26.625,1118 2.869,1119 16.034,1120 19.815,1121 0.452,1122 32.428,1123 15.239,1124 1.386,1125 4.065,1126 28.446,1127 2.16,1128 17.108,1129 21.149,1130 0.068,1131 34.687,1132 16.261,1133 6452,1134 10464,1135 19.474,1136 30.239,1137 41.736,1138 42.317,1139 41.822,1140 41.796,1141 41.762,1142 50.651,1143 6.64,1144 115.804,1145 38.783,1146 5.398,1147 5.247,1148 6.189,1149 5.117,1150 5.072,1151 7.058,1152 1.72,1153 16.472,1154 4.912,1155 6.38,1156 1.491,1157 1.511,1158 1.494,1159 1.493,1160 1.491,1161 1.809,1162 0.237,1163 4.136,1164 1.385,1165 4.012,1166 4.054,1167 3.971,1168 3.904,1169 6.471,1170 3.913,1171 3.821,1172 3.861,1173 3.75,1174 3.659,1175 4.987,1176 3.678,1177 3.745,1178 3.803,1179 3.626,1180 3.519,1181 4.617,1182 3.535,1183 3.558,1184 3.603,1185 3.461,1186 3.371,1187 4.612,1188 3.385,1189 3.111,1190 3.206,1191 2.893,1192 2.941,1193 4.547,1194 2.91,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.981,1200 2.91,1201 2.97,1202 3.008,1203 2.866,1204 2.777,1205 3.867,1206 2.796,1207 2.937,1208 2.991,1209 2.841,1210 2.745,1211 3.553,1212 2.744,1213 0.157,1214 0.116,1215 0.228,1216 0.143,1217 0.11,1218 4.398,1219 0.145,1220 3.247,1221 0.031,1222 6.387,1223 0.355,1224 4.014,1225 0.104,1226 3.072,1227 4.058,1228 0.86,1229 9.946,1230 2.912,1231 1.943,1232 1.916,1233 2.031,1234 2.083,1235 1.223,1236 2.065,1237 1.766,1238 1.717,1239 1.931,1240 1.946,1241 1.188,1242 1.946,1243 1.68,1244 1.621,1245 1.904,1246 1.933,1247 1.09,1248 1.926,1249 1.493,1250 1.448,1251 1.641,1252 1.7,1253 0.825,1254 1.685,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.705,1266 1.429,1267 0.889,1268 0.849,1269 1.144,1270 1.16,1271 0.269,1272 1.14,1273 0.882,1274 0.832,1275 1.107,1276 1.151,1277 0.245,1278 1.132,1279 4.043,1281 5.342,1283 6.851,1285 8.448,1287 10.089,1294 9.813,1295 5.992,1297 10.894,1300 4.376,1305 28.971,1306 75.145,1307 151.846,1308 183.456,1309 199.066,1310 211.066,1311 221.066,1312 32.786,1313 7.212,1314 70.95,1315 70.95,1316 24,1317 12.384,1318 3.7,1319 2.807,1320 35.517,1321 82,1322 72,1323 0.217,1324 175.461,1325 303.25,1326 419.884,1327 11536,1329 17.062,1330 0.682,1331 0.564,1332 17.062,1333 14.096,1334 12.293,1335 0.439,1336 0.308,1337 8.453,1338 11.614,1339 8.343,1340 6.786,1341 12.293,1342 8.634,1343 10.815,1344 0.285,1345 0.162,1346 10.815,1347 6.161,1348 9.093,1349 0.182,1350 0.089,1351 9.093,1352 4.472,1353 7.73,1354 0.117,1355 0.047,1356 7.73,1357 3.094,1358 6.608,1359 0.075,1360 0.024,1361 6.608,1362 2.129,1363 0.328,1364 78.301,1365 0.227,1366 23.816,1367 0.636,1368 132,1369 400.201,1370 149.019,1371 373.057,1372 511.77,1373 354,1374 154,1375 371.571,1376 171.523,1377 370.805,1378 547.73,1379 350,1380 6.398}
{0 CHEMBL1289307,1 1.652,2 9.724,3 4.579,4 20.971,5 117.619,6 8.256,7 0.667,8 4.026,9 4.143,10 3.728,11 3.615,12 5.145,13 3.585,14 4.53,15 4.685,16 4.07,17 4.015,18 5.617,19 3.957,20 4.754,21 4.953,22 4.037,23 4.083,24 5.766,25 4.008,26 4.764,27 5.002,28 3.949,29 3.997,30 5.755,31 3.922,32 4.675,33 4.901,34 3.993,35 3.955,36 5.722,37 3.897,38 4.638,39 4.831,40 3.995,41 4.014,42 5.653,43 3.95,44 4.746,45 4.955,46 4.066,47 4.098,48 5.769,49 4.004,50 4.81,51 5.028,52 3.979,53 4.155,54 5.724,55 4.02,56 0.077,57 0.8,58 9.25,59 4.238,60 9.139,61 5.062,62 0.208,63 1.314,64 20.395,65 7.797,66 17.238,67 9.168,68 0.254,69 1.529,70 26.927,71 9.256,72 27.883,73 11.566,74 0.316,75 1.495,76 25.146,77 8.694,78 34.439,79 11.793,80 0.38,81 1.408,82 23.636,83 7.522,84 38.017,85 10.227,86 0.221,87 1.376,88 19.986,89 7.475,90 22.023,91 9.572,92 0.4,93 1.491,94 24.326,95 9.174,96 34.742,97 12.2,98 0.229,99 1.518,100 28.424,101 11.267,102 28.667,103 14.334,104 2,105 46,106 0.275,107 0.648,108 0.786,109 0.868,110 0.868,111 0.868,112 3.409,113 0.965,114 -4.67,115 -4.58,116 -4.31,119 42.9,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 7,183 7,187 5,192 6,195 6,199 7,202 2,204 2,207 3,212 9,215 2,216 1,217 3,220 3,224 6,229 1,232 2,236 1,237 7,240 3,241 1,242 3,245 8,258 8,262 2,263 1,266 2,268 3,271 7,275 1386,276 20.118,277 20.118,278 20.118,279 20.118,280 20.118,281 17.597,282 20.417,283 12.015,284 20.756,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.556,291 33.145,292 5.802,293 17.409,294 3.963,295 1.725,296 0.898,297 0.408,298 0.408,299 0.408,300 4.124,304 1,305 1,306 632,307 2.345,310 70.523,311 343.366,314 119.682,318 1.427,319 20.543,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62,331 282,332 4.434,333 4.216,334 6.32,335 3.989,336 3.039,337 4.367,338 2.95,339 9.735,340 2.91,341 4.368,342 3.154,343 6.195,344 3.914,345 2.936,346 4.044,347 0.8,348 9.263,349 2.868,350 4.026,351 2.97,352 6.033,353 3.671,354 2.727,355 3.571,356 0.4,357 8.707,358 2.553,359 3.742,360 2.854,361 5.51,362 3.418,363 2.477,364 3.096,366 7.44,367 2.325,368 3.582,369 2.643,370 5.1,371 3.189,372 2.234,373 2.89,375 6.245,376 2.128,377 3.347,378 2.427,379 4.926,380 2.928,381 1.979,382 2.637,384 5.699,385 1.874,386 3.034,387 2.411,388 4.419,389 2.597,390 1.722,391 2.301,393 4.378,394 1.507,395 2.923,396 2.054,397 4.356,398 2.517,399 1.534,400 2.018,402 4.194,403 1.496,404 2.789,405 1.564,406 4.134,407 2.322,408 1.363,409 1.887,411 3.563,412 1.3,413 2.589,414 1.534,415 3.493,416 2.078,417 1.129,418 1.631,420 2.619,421 1.069,422 2.547,423 1.367,424 3.469,425 2.042,426 1.087,427 1.569,428 2.476,429 1.035,430 2.198,431 1.111,432 3.449,433 1.938,434 1,435 1.171,436 2.445,437 0.924,438 2,439 1.046,440 3.247,441 1.881,442 1,443 1,445 2.136,446 0.858,447 1.956,448 0.524,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.264,457 0.381,458 2.906,459 0.892,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 14.067,466 0.485,467 0.602,468 0.021,469 41,470 1.414,471 21.5,472 0.741,473 19.5,474 0.672,475 22.75,476 0.784,477 29.733,478 0.607,479 28.597,480 0.986,481 7.49,482 0.258,483 6.752,484 0.233,485 0.024,487 0.313,493 0.953,494 1.157,495 0.727,496 0.858,497 0.912,498 0.821,499 0.821,500 1.122,501 1.151,502 1.16,503 0.567,504 0.986,505 1.136,506 1.243,507 1.135,508 1.157,509 0.971,510 1.075,511 1.033,512 1.02,513 0.767,514 0.817,515 0.939,516 0.926,517 1.031,518 0.947,519 0.761,520 0.766,521 0.903,522 0.823,523 1.198,524 1.087,525 0.891,526 0.881,527 0.964,528 0.986,529 0.671,530 0.911,531 0.834,532 0.899,533 0.614,534 0.992,535 0.836,536 0.952,537 1.041,538 1.074,539 0.9,540 1.111,541 5.5,542 0.117,543 2.444,544 1.507,545 1.195,546 0.872,547 0.575,548 0.306,549 0.286,550 0.223,551 11232,552 30064,553 2.215,554 40.8,556 16,558 1,559 3,564 1.726,565 2.148,566 3.292,567 0.926,573 80.934,574 1.652,575 3.89,576 4.717,577 5.207,578 5.207,579 5.207,580 2.66,581 4.651,582 4.83,583 3.466,584 1407.06,585 8.447,586 19080.8,588 1,591 275.121,592 1.091,593 4.82,594 0.167,595 0.005,596 0.053,597 0.034,598 0.03,599 0.021,600 0.014,601 0.007,602 0.007,603 0.007,604 0.345,605 0.17,606 0.88,607 0.335,608 145.837,609 -0.054,610 -0.039,611 0.055,612 0.061,613 -0.082,614 0.049,615 0.054,616 -0.005,617 -0.131,618 -0.122,619 0.12,620 -0.069,621 -0.163,622 -0.215,623 -0.179,624 -0.191,625 -0.081,626 -0.133,627 -0.055,628 -0.038,629 0.028,630 0.012,631 -0.048,632 0.013,633 0.014,634 0.077,635 0.084,636 0.088,637 0.024,638 0.098,639 -0.23,640 -0.04,641 -0.106,642 -0.026,643 -0.144,644 -0.086,645 0.2,646 0.087,647 0.023,648 0.016,649 0.154,650 -0.037,651 -0.075,652 -0.016,653 -0.082,654 -0.058,655 -0.095,656 -0.089,657 1.447,658 3.896,659 0.931,660 26.214,661 1.004,662 1.123,663 3.435,664 11.802,665 0.703,666 3.526,667 3.85,668 4.127,669 4.419,670 4.654,671 4.727,672 4.927,673 5.075,674 5.193,675 5.313,676 6.298,677 0.668,678 404.54,679 3.526,680 5.069,681 5.922,682 6.799,683 7.665,684 8.547,685 9.419,686 10.303,687 11.179,688 12.063,689 12.2,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,728 1,731 49,733 22,734 2,735 33,737 53,738 21,739 17,740 5,741 7,746 5,747 6,761 17,762 4,778 1,781 20,782 6,783 3,784 8,785 1,790 6,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,840 4,841 1,842 1,848 29,853 1,854 4,855 1,857 1,859 1,870 2,872 1,877 13.5,878 8.667,879 6.25,880 2.846,881 3.857,882 1.492,883 1.027,884 5.104,885 11.697,886 3.807,887 4.434,888 5.043,889 5.666,890 6.204,891 6.507,892 6.968,893 7.395,894 7.689,895 8.099,896 1,897 44,898 10.685,900 4.597,901 7.609,902 20.678,904 17.315,905 2.109,906 61.167,908 1,909 1,910 200.109,911 140.731,912 88.032,914 42.683,916 32.22,917 108.511,918 242.792,919 88.032,921 6.011,922 75.81,923 104.689,924 58.118,925 6.371,926 220.557,928 200.109,929 196.544,930 42.683,931 32.22,933 200.109,934 42.683,937 54.388,938 91.922,939 50.234,940 32.22,941 200.109,942 130.715,943 140.731,946 200.109,947 55.874,948 87.982,949 34.674,950 92.917,951 200.109,952 130.715,953 140.731,955 0.579,956 0.334,957 0.187,958 0.103,959 24,960 9,961 0.075,962 4,963 1,964 1.074,965 4.148,966 266.541,967 0.074,968 27,969 136.881,970 1,974 18.432,975 8.03,976 4.079,977 2.024,978 114.052,979 16.881,980 13.644,981 2.963,984 4.202,986 77.357,987 471.555,988 44,999 49.2,1000 55.026,1001 0.294,1002 0.693,1003 0.84,1004 0.927,1005 0.927,1006 0.927,1007 5.034,1008 1.534,1009 5.889,1010 4.378,1011 4.533,1012 5.121,1013 2.98,1014 6.673,1015 4.426,1016 6.233,1017 1.363,1018 7.421,1019 4.194,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.863,1025 7.532,1026 1.129,1027 9.049,1028 3.563,1029 6.098,1030 7.34,1031 5.03,1032 10.558,1033 5.905,1034 8.866,1035 1.087,1036 10.733,1037 2.619,1038 6.399,1039 7.923,1040 0.268,1041 12.164,1042 6.173,1043 10.231,1044 1,1045 12.455,1046 2.476,1047 7.926,1048 9.849,1049 7.185,1050 14.742,1051 7.658,1052 11.619,1053 1,1054 14.201,1055 2.445,1056 8.623,1057 10.85,1058 0.188,1059 16.699,1060 8.322,1061 13.024,1062 0.488,1063 15.964,1064 2.136,1065 9.903,1066 12.524,1067 9.348,1068 19.077,1069 9.564,1070 3.039,1071 -0.051,1072 17.741,1073 1.187,1074 10.797,1075 13.743,1076 0.125,1077 21.191,1078 10.425,1079 2.936,1080 9.735,1081 19.528,1082 -0.149,1083 11.966,1084 15.298,1085 11.511,1086 23.489,1087 11.558,1088 2.727,1089 9.263,1090 21.322,1091 4.367,1092 12.958,1093 16.63,1094 0.082,1095 25.674,1096 12.516,1097 2.477,1098 8.707,1099 23.122,1100 4.044,1101 14.078,1102 18.13,1103 13.675,1104 27.941,1105 13.602,1106 2.234,1107 7.44,1108 24.927,1109 3.571,1110 15.118,1111 19.521,1112 0.054,1113 30.16,1114 14.608,1115 1.979,1116 6.245,1117 26.736,1118 3.096,1119 16.218,1120 20.996,1121 15.838,1122 32.416,1123 15.674,1124 1.722,1125 5.699,1126 28.548,1127 2.89,1128 17.284,1129 22.419,1130 0.035,1131 34.652,1132 16.705,1133 10267,1134 16935,1135 23.057,1136 34.466,1137 49.737,1138 52.55,1139 49.675,1140 49.477,1141 49.434,1142 65.775,1143 8.3,1144 140.175,1145 46.632,1146 5.434,1147 6.216,1148 6.122,1149 5.133,1150 5.039,1151 7.367,1152 5.9,1153 16.249,1154 4.91,1155 7.12,1156 1.507,1157 1.592,1158 1.505,1159 1.499,1160 1.498,1161 1.993,1162 0.252,1163 4.248,1164 1.413,1165 4.106,1166 4.149,1167 4.072,1168 3.995,1169 6.471,1170 4.007,1171 3.979,1172 4.016,1173 3.976,1174 3.887,1175 5.106,1176 3.892,1177 3.793,1178 3.839,1179 3.881,1180 3.679,1181 4.979,1182 3.657,1183 3.628,1184 3.681,1185 3.669,1186 3.517,1187 4.584,1188 3.494,1189 3.367,1190 3.435,1191 3.319,1192 3.174,1193 4.433,1194 3.195,1195 3.111,1196 3.206,1197 3.069,1198 2.941,1199 4.197,1200 2.91,1201 2.989,1202 3.051,1203 2.893,1204 2.849,1205 3.964,1206 2.849,1207 2.955,1208 2.994,1209 2.866,1210 2.822,1211 3.78,1212 2.8,1213 0.134,1214 0.128,1215 0.192,1216 0.121,1217 0.092,1218 4.434,1219 0.132,1220 4.216,1221 0.089,1222 6.32,1223 0.295,1224 3.989,1225 0.088,1226 3.039,1227 4.367,1228 2.95,1229 9.735,1230 2.91,1231 1.959,1232 1.932,1233 2.038,1234 2.079,1235 1.258,1236 2.066,1237 1.912,1238 1.889,1239 2,1240 2.001,1241 1.155,1242 2.002,1243 1.743,1244 1.693,1245 1.883,1246 1.908,1247 1.098,1248 1.922,1249 1.571,1250 1.529,1251 1.681,1252 1.732,1253 0.825,1254 1.733,1255 1.31,1256 1.229,1257 1.513,1258 1.634,1259 0.738,1260 1.589,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.069,1268 1.015,1269 1.22,1270 1.274,1271 0.349,1272 1.264,1273 0.89,1274 0.847,1275 1.14,1276 1.144,1277 0.299,1278 1.132,1279 4.205,1281 5.525,1282 2.398,1283 7.04,1284 4.595,1285 8.64,1286 6.581,1287 10.284,1294 9.896,1295 3.989,1296 3.403,1298 1.95,1300 2.216,1305 32.718,1306 80.934,1307 190.591,1308 231.121,1309 255.121,1310 255.121,1311 255.121,1312 35.92,1313 7.84,1314 89.96,1315 115.26,1316 29,1317 12.598,1318 4.524,1319 3.585,1320 39.316,1321 108,1322 100,1323 0.173,1324 201.862,1325 333.36,1326 484.302,1327 26962,1329 19.631,1330 0.677,1331 0.568,1332 19.985,1333 16.485,1334 14.242,1335 0.432,1336 0.322,1337 9.438,1338 13.236,1339 9.162,1340 7.526,1341 14.742,1342 10.613,1343 12.889,1344 0.28,1345 0.176,1346 13.419,1347 8.11,1348 10.903,1349 0.179,1350 0.095,1351 11.357,1352 5.805,1353 9.496,1354 0.116,1355 0.052,1356 9.991,1357 4.288,1358 7.736,1359 0.074,1360 0.03,1361 8.292,1362 3.09,1363 0.267,1364 93.785,1365 0.208,1366 27.288,1367 0.49,1368 158,1369 428.256,1370 190.952,1371 443.303,1372 618.44,1373 418,1374 186,1375 458.205,1376 214.485,1377 472.946,1378 691.92,1379 446,1380 5.252}
{0 CHEMBL1289351,1 1.882,2 14.474,3 4.049,4 16.397,5 140.042,6 9.112,7 0.667,8 4.22,9 4.309,10 4.053,11 3.785,12 5.466,13 3.79,14 4.716,15 4.834,16 4.38,17 4.163,18 6.131,19 4.168,20 4.908,21 5.033,22 4.527,23 4.306,24 6.258,25 4.296,26 5.032,27 5.18,28 4.519,29 4.32,30 6.576,31 4.298,32 5.079,33 5.273,34 4.384,35 4.292,36 6.356,37 4.246,38 4.959,39 5.137,40 4.369,41 4.238,42 6.369,43 4.207,44 4.955,45 5.143,46 4.326,47 4.208,48 6.268,49 4.174,50 4.936,51 5.135,52 4.225,53 4.15,54 6.205,55 4.107,56 0.249,57 1.038,58 10.438,59 5.422,60 27.83,61 5.13,62 0.708,63 1.602,64 18.631,65 9.019,66 74.021,67 8.888,68 0.798,69 2.031,70 23.412,71 11.388,72 84.623,73 10.739,74 1.27,75 2.246,76 30.177,77 12.2,78 172.604,79 12.1,80 1.204,81 1.986,82 37.014,83 13.27,84 152.754,85 14.531,86 1.026,87 1.879,88 27.598,89 11.542,90 136.979,91 13.237,92 0.965,93 1.935,94 29.557,95 11.277,96 103.014,97 12.809,98 0.937,99 1.832,100 27.481,101 10.904,102 104.395,103 12.485,104 54,105 62,106 0.298,107 0.639,108 0.779,109 0.865,110 0.875,111 0.881,112 3.668,113 0.901,114 -3.68,115 -3.65,116 -3.47,119 44.1,124 2,142 8,143 5,144 6,145 2,147 1,151 1,161 1,163 1,164 1,165 1,172 10,174 1,175 5,177 1,178 4,180 3,183 10,186 1,187 11,190 1,191 1,192 5,194 1,195 9,197 1,199 12,204 7,207 6,209 1,211 3,212 7,214 2,215 2,217 4,220 6,222 1,224 7,227 2,229 4,232 7,234 2,236 1,237 7,239 1,240 3,242 4,245 6,247 3,249 3,250 6,254 1,255 2,258 4,260 1,263 6,267 1,268 3,270 1,271 3,273 1,275 2774,276 25.383,277 25.383,278 25.383,279 25.383,280 25.383,281 21.788,282 16.721,283 14.353,284 26.191,285 20.561,286 20.561,287 20.561,288 20.561,289 20.561,290 14.959,291 14.436,292 6.601,293 21.752,294 4.001,295 1.857,296 0.975,297 0.432,298 0.365,299 0.331,300 4.367,305 1,306 1190,307 3.937,310 92.626,311 483.378,314 162.412,318 2.158,319 63.643,322 0.75,323 0.67,324 0.83,325 0.3,327 0.67,328 0.5,329 0.53,330 85.5,331 550,332 4.894,333 4.715,334 7.404,335 4.362,336 3.444,337 4.75,338 0.86,339 12.897,340 3.155,341 4.63,342 3.254,343 6.733,344 4.181,345 3.198,346 4.571,347 0.86,348 11.005,349 3.127,350 4.309,351 3.119,352 6.246,353 3.905,354 2.933,355 3.976,357 9.399,358 2.855,359 4.214,360 3.028,361 6.151,362 3.772,363 2.825,364 3.877,366 9.052,367 2.671,368 3.987,369 2.947,370 5.932,371 3.546,372 2.582,373 3.58,375 8.258,376 2.476,377 3.857,378 2.624,379 5.659,380 3.418,381 2.466,382 3.322,384 7.423,385 2.333,386 3.634,387 2.547,388 5.598,389 3.216,390 2.256,391 3.034,393 7.262,394 2.157,395 3.292,396 2.321,397 4.891,398 2.826,399 1.908,400 2.56,402 5.384,403 1.727,404 3.003,405 2.171,406 4.615,407 2.523,408 1.613,409 2.244,411 4.53,412 1.462,413 2.971,414 1.702,415 4.41,416 2.471,417 1.515,418 2.191,420 4.219,421 1.448,422 2.919,423 1.553,424 4.346,425 2.463,426 1.491,427 2.057,428 4.039,429 1.442,430 2.845,431 1.511,432 4.278,433 2.381,434 1.451,435 1.977,436 3.84,437 1.343,438 2.737,439 1.385,440 4.034,441 2.229,442 1.254,443 1.831,445 3.27,446 1.214,447 2.589,448 1.163,449 3.956,450 2.075,451 1.108,452 1.632,454 2.965,455 1.068,456 2.082,457 0.993,458 3.264,459 1.624,460 0.717,461 0.927,463 1.539,464 0.645,465 17.738,466 0.467,467 1.149,468 0.03,469 56,470 1.474,471 31,472 0.816,473 25,474 0.658,475 29.308,476 0.771,477 40.462,478 0.686,479 51.276,480 1.349,481 11.322,482 0.298,483 6.873,484 0.181,485 0.149,486 0.047,487 0.366,491 2,493 0.668,494 1.044,495 0.73,496 1.11,497 0.654,498 0.831,499 0.836,500 0.88,501 0.779,502 0.824,503 0.612,504 0.747,505 0.978,506 1.157,507 0.962,508 1.118,509 0.998,510 1.019,511 0.906,512 1.029,513 1.142,514 1.192,515 0.845,516 1.137,517 0.894,518 0.77,519 0.983,520 0.893,521 0.862,522 0.941,523 0.647,524 0.902,525 0.797,526 0.954,527 0.628,528 0.992,529 0.778,530 0.886,531 0.94,532 0.984,533 0.728,534 1.005,535 0.859,536 0.939,537 0.882,538 0.899,539 0.864,540 1.027,541 9.5,542 0.35,543 6,544 3.319,545 2.618,546 1.771,547 1.123,548 0.733,549 0.626,550 0.436,551 22727,552 79632,553 2.059,554 35.6,556 14,557 1,558 2,559 4,564 1.788,565 1.892,566 3.802,567 1.527,573 111.016,574 1.882,575 4.026,576 4.908,577 5.45,578 5.518,579 5.552,580 3.259,581 4.86,582 5.22,583 3.954,584 2779.52,585 9.196,586 45776.3,591 347.076,592 1.636,593 5.156,594 0.226,595 0.009,596 0.097,597 0.05,598 0.041,599 0.031,600 0.019,601 0.013,602 0.013,603 0.01,604 0.507,605 0.17,606 0.75,607 0.811,608 210.863,609 -0.038,610 -0.062,611 0.139,612 -0.048,613 -0.131,614 0.049,615 0.001,616 0.057,617 0.061,618 0.152,619 0.101,620 0.148,621 -0.078,622 -0.115,623 -0.047,624 -0.094,625 -0.103,626 -0.11,627 0.06,628 -0.009,629 -0.15,630 -0.171,631 0.167,632 -0.208,633 -0.052,634 0.021,635 0.006,636 0.07,637 -0.031,638 0.068,639 0.135,640 -0.043,641 0.074,642 -0.027,643 0.171,644 -0.006,645 0.027,646 0.02,647 -0.01,648 -0.039,649 0.018,650 -0.022,651 -0.042,652 -0.054,653 -0.01,654 -0.007,655 -0.057,656 -0.039,657 5.334,658 6.147,659 0.711,660 43.474,661 1.032,662 1.13,663 2.45,664 6,665 0.699,666 3.761,667 4.143,668 4.443,669 4.718,670 4.949,671 5.094,672 5.22,673 5.384,674 5.537,675 5.68,676 8.23,677 0.689,678 537.59,679 3.761,680 5.342,681 6.217,682 7.124,683 8.013,684 8.923,685 9.816,686 10.728,687 11.624,688 12.537,689 8.5,693 1,694 1,697 1,699 2,703 2,704 11,705 2,706 1,709 11,711 28,722 1,729 2,730 2,731 59,733 30,734 2,735 42,737 63,738 26,739 24,740 6,741 6,746 5,747 6,761 24,762 2,766 2,769 1,771 2,779 2,781 21,782 10,783 4,784 12,785 1,790 5,794 0.8,795 4,805 2,807 1,811 1,812 4,815 1,840 4,842 1,844 2,846 2,848 38,849 1,852 1,855 1,856 2,869 2,870 6.8,873 2,875 2,877 20.083,878 11.269,879 8.236,880 3.062,881 5.305,882 1.604,883 1.034,884 6.863,885 14.085,886 4.078,887 4.785,888 5.404,889 6.031,890 6.6,891 7.006,892 7.465,893 7.957,894 8.394,895 8.874,896 0.9,897 67,898 14.548,900 6.898,901 8.147,902 25.758,904 21.332,905 2.647,906 100.583,910 200.109,911 182.921,912 99.659,914 66.313,915 29.92,916 5.807,917 177.113,918 266.421,919 129.579,920 21.766,922 123.562,923 119.547,924 105.232,925 44.019,926 164.795,928 200.109,929 276.772,930 96.233,931 5.807,933 230.029,934 66.313,937 36.596,938 190.2,939 55.783,941 230.029,942 165.972,943 182.921,945 5.807,946 200.109,947 52.395,948 124.718,949 33.191,950 162.701,951 200.109,952 195.892,953 182.921,955 0.595,956 0.359,957 0.192,958 0.101,959 31,960 15,961 0.111,962 7,963 1,964 1.074,965 4.627,966 386.919,967 0.074,968 27,969 197.421,973 1,974 25.766,975 10.121,976 5.005,977 1.428,978 179.106,979 15.937,980 8.571,981 3.138,984 0.962,986 66.088,987 578.921,988 58,991 -4.417,993 25.562,999 60.872,1000 66.665,1001 0.32,1002 0.684,1003 0.834,1004 0.927,1005 0.938,1006 0.944,1007 5.338,1008 1.908,1009 6.252,1010 7.262,1011 4.828,1012 5.474,1013 1.376,1014 7.136,1015 4.724,1016 6.609,1017 1.613,1018 7.867,1019 5.384,1020 4.635,1021 5.568,1023 8.307,1024 4.465,1025 7.974,1026 1.515,1027 9.586,1028 4.53,1029 6.535,1030 7.847,1031 1.159,1032 11.375,1033 6.337,1034 9.381,1035 1.491,1036 11.368,1037 4.219,1038 7.132,1039 8.73,1041 13.357,1042 6.855,1043 10.818,1044 1.451,1045 13.191,1046 4.039,1047 8.555,1048 10.532,1049 0.963,1050 16.016,1051 8.251,1052 12.279,1053 1.254,1054 15.044,1055 3.84,1056 9.489,1057 11.762,1059 18.322,1060 9.103,1061 13.757,1062 1.108,1063 16.918,1064 3.27,1065 10.75,1066 13.389,1067 0.787,1068 20.872,1069 10.324,1070 3.444,1071 0.717,1072 18.811,1073 2.965,1074 11.83,1075 14.779,1077 23.311,1078 11.325,1079 3.198,1080 12.897,1081 20.717,1082 1.539,1083 13.039,1084 16.34,1085 0.634,1086 25.839,1087 12.482,1088 2.933,1089 11.005,1090 22.636,1091 4.75,1092 14.184,1093 17.805,1095 28.334,1096 13.55,1097 2.825,1098 9.399,1099 24.566,1100 4.571,1101 15.381,1102 19.344,1103 0.504,1104 30.864,1105 14.685,1106 2.582,1107 9.052,1108 26.504,1109 3.976,1110 16.558,1111 20.846,1113 33.386,1114 15.785,1115 2.466,1116 8.258,1117 28.451,1118 3.877,1119 17.756,1120 22.38,1121 0.395,1122 35.922,1123 16.914,1124 2.256,1125 7.423,1126 30.404,1127 3.58,1128 18.95,1129 23.9,1131 38.457,1132 18.031,1133 21551,1134 40639,1135 27.452,1136 41.222,1137 63.799,1138 65.958,1139 67.205,1140 63.687,1141 63.686,1142 87.715,1143 3.44,1144 194.324,1145 60.183,1146 5.733,1147 6.715,1148 6.957,1149 5.428,1150 5.444,1151 7.75,1152 1.72,1153 20.677,1154 5.155,1155 22.535,1156 1.519,1157 1.57,1158 1.6,1159 1.516,1160 1.516,1161 2.088,1162 0.082,1163 4.627,1164 1.433,1165 4.163,1166 4.19,1167 4.739,1168 4.093,1169 8.211,1170 4.08,1171 4.072,1172 4.059,1173 4.117,1174 4.029,1175 8.191,1176 3.971,1177 3.889,1178 3.912,1179 3.852,1180 3.804,1181 7.716,1182 3.811,1183 3.811,1184 3.843,1185 3.771,1186 3.686,1187 6.999,1188 3.701,1189 3.607,1190 3.587,1191 3.736,1192 3.512,1193 5.175,1194 3.448,1195 3.359,1196 3.408,1197 3.296,1198 3.209,1199 5.059,1200 3.217,1201 3.247,1202 3.314,1203 3.067,1204 2.969,1205 4.902,1206 2.98,1207 3.22,1208 3.291,1209 3.049,1210 2.945,1211 4.574,1212 2.955,1213 0.117,1214 0.112,1215 0.176,1216 0.104,1217 0.082,1218 4.894,1219 0.113,1220 4.715,1221 0.02,1222 7.404,1223 0.307,1224 4.362,1225 0.075,1226 3.444,1227 4.75,1228 0.86,1229 12.897,1230 3.155,1231 1.991,1232 1.983,1233 2.042,1234 2.085,1235 1.199,1236 2.089,1237 1.94,1238 1.942,1239 1.962,1240 2.02,1241 1.144,1242 2.03,1243 1.869,1244 1.849,1245 1.928,1246 1.979,1247 1.056,1248 1.972,1249 1.698,1250 1.663,1251 1.771,1252 1.871,1253 0.85,1254 1.848,1255 1.43,1256 1.43,1257 1.609,1258 1.658,1259 0.621,1260 1.647,1261 1.395,1262 1.379,1263 1.576,1264 1.563,1265 0.574,1266 1.59,1267 1.192,1268 1.116,1269 1.507,1270 1.523,1271 0.534,1272 1.539,1273 1.172,1274 1.098,1275 1.264,1276 1.457,1277 0.527,1278 1.479,1279 4.443,1281 5.808,1282 2.398,1283 7.368,1284 4.727,1285 9.014,1286 6.843,1287 10.704,1289 3.117,1291 27.406,1293 5.906,1296 2.236,1297 10.74,1305 40.661,1306 111.016,1307 237.512,1308 289.566,1309 321.566,1310 325.566,1311 327.566,1312 96.824,1313 8.78,1314 132.22,1315 140.6,1316 29,1317 13.053,1318 4.954,1319 4.087,1320 59.145,1321 189,1322 189,1323 0.152,1324 248.632,1325 428.55,1326 598.422,1327 93473,1328 3.4,1329 27.026,1330 0.711,1331 0.551,1332 25.536,1333 20.936,1334 18.195,1335 0.433,1336 0.3,1337 11.025,1338 16.513,1339 10.652,1340 8.824,1341 18.212,1342 12.615,1343 17.153,1344 0.277,1345 0.159,1346 17.287,1347 9.88,1348 14.637,1349 0.174,1350 0.087,1351 15.003,1352 7.304,1353 12.426,1354 0.112,1355 0.046,1356 12.555,1357 5.137,1358 9.7,1359 0.069,1360 0.025,1361 10.453,1362 3.447,1363 0.241,1364 124.376,1365 0.191,1366 34.347,1367 0.411,1368 208,1369 797.293,1370 270.627,1371 733.791,1372 980.95,1373 678,1374 250,1375 684.607,1376 323.247,1377 720.759,1378 1053.56,1379 672,1380 8.523}
{0 CHEMBL1289424,1 1.72,2 10.233,3 3.468,4 12.024,5 118.991,6 8.411,7 0.647,8 4.051,9 4.161,10 3.81,11 3.635,12 5.183,13 3.609,14 4.558,15 4.707,16 4.115,17 4.032,18 5.676,19 3.984,20 4.818,21 5.009,22 4.091,23 4.11,24 5.899,25 4.047,26 4.819,27 5.051,28 3.987,29 4.015,30 5.877,31 3.947,32 4.688,33 4.91,34 4.018,35 3.964,36 5.748,37 3.912,38 4.668,39 4.856,40 4.051,41 4.024,42 5.784,43 3.971,44 4.769,45 4.972,46 4.111,47 4.113,48 5.828,49 4.03,50 4.844,51 5.053,52 4.055,53 4.174,54 5.842,55 4.055,56 0.122,57 0.824,58 10.089,59 4.517,60 13.469,61 5.067,62 0.247,63 1.339,64 20.323,65 7.979,66 20.974,67 9.175,68 0.409,69 1.576,70 28.509,71 9.68,72 50.445,73 11.65,74 0.514,75 1.53,76 26.743,77 8.969,78 56.056,79 11.86,80 0.429,81 1.413,82 23.533,83 7.549,84 41.532,85 10.228,86 0.37,87 1.404,88 20.087,89 7.521,90 38.255,91 9.555,92 0.443,93 1.51,94 24.278,95 9.327,96 36.794,97 12.212,98 0.348,99 1.551,100 28.791,101 11.432,102 39.743,103 14.353,104 5,105 48,106 0.285,107 0.654,108 0.788,109 0.868,110 0.868,111 0.868,112 3.441,113 0.981,114 -3.84,115 -3.8,116 -3.61,119 42,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 7,183 7,187 4,192 6,195 6,198 1,199 7,202 2,204 2,207 3,212 7,215 2,216 1,217 3,220 3,223 2,224 6,229 1,232 2,236 1,237 7,240 3,241 1,242 2,245 6,250 2,253 1,258 6,262 2,263 3,266 2,268 3,271 4,275 1530,276 20.566,277 20.566,278 20.566,279 20.566,280 20.566,281 17.889,282 20.829,283 12.101,284 21.285,285 16.846,286 16.846,287 16.846,288 16.846,289 16.846,290 12.721,291 33.625,292 5.839,293 17.969,294 3.924,295 1.691,296 0.88,297 0.4,298 0.4,299 0.4,300 4.153,304 1,305 1,306 685,307 2.449,310 74.033,311 360.062,314 125.673,318 1.449,319 29.001,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 65,331 307,332 4.434,333 4.619,334 6.321,335 3.99,336 3.042,337 4.367,338 2.95,339 9.739,340 2.91,341 4.369,342 3.159,343 6.195,344 3.914,345 2.936,346 4.044,347 0.8,348 9.263,349 2.868,350 4.033,351 2.971,352 6.037,353 3.685,354 2.747,355 3.571,356 0.4,357 8.722,358 2.559,359 3.784,360 2.857,361 5.512,362 3.437,363 2.505,364 3.101,366 7.449,367 2.333,368 3.646,369 2.645,370 5.123,371 3.212,372 2.296,373 2.943,375 6.324,376 2.135,377 3.52,378 2.427,379 5.014,380 3.073,381 2.181,382 2.777,384 5.982,385 1.909,386 3.327,387 2.412,388 4.913,389 2.887,390 1.941,391 2.603,393 5.665,394 1.787,395 3.034,396 2.055,397 4.369,398 2.517,399 1.534,400 2.301,402 4.214,403 1.507,404 2.831,405 1.571,406 4.304,407 2.362,408 1.42,409 1.967,411 3.985,412 1.334,413 2.635,414 1.534,415 4.095,416 2.214,417 1.269,418 1.671,420 3.398,421 1.191,422 2.581,423 1.371,424 3.471,425 2.062,426 1.098,427 1.617,428 2.498,429 1.056,430 2.508,431 1.111,432 3.45,433 2.016,434 1.037,435 1.502,436 2.446,437 1.013,438 2,439 1.047,440 3.414,441 1.938,442 1,443 1,445 2.275,446 0.924,447 1.956,448 0.525,449 3.1,450 1.449,451 0.488,452 0.707,454 1.188,455 0.468,456 1.268,457 0.381,458 2.906,459 0.893,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 14.4,466 0.48,467 0.708,468 0.024,469 43.25,470 1.442,471 23,472 0.767,473 20.25,474 0.675,475 22.453,476 0.748,477 31.2,478 0.624,479 31.98,480 1.066,481 8.264,482 0.275,483 6.372,484 0.212,485 0.046,487 0.363,493 0.796,494 1.202,495 0.761,496 0.979,497 0.746,498 0.839,499 0.759,500 1.142,501 1.123,502 1.176,503 0.559,504 0.992,505 1.225,506 1.218,507 1.158,508 1.133,509 1.177,510 1.076,511 1.064,512 0.989,513 0.813,514 0.792,515 1.053,516 0.934,517 0.855,518 0.963,519 0.751,520 0.779,521 0.626,522 0.835,523 0.948,524 1.081,525 0.869,526 0.874,527 0.66,528 0.987,529 0.62,530 0.931,531 0.818,532 0.916,533 0.54,534 1,535 0.745,536 0.965,537 1.014,538 1.082,539 0.725,540 1.112,541 6.5,542 0.183,543 2.889,544 1.569,545 1.386,546 0.983,547 0.654,548 0.408,549 0.372,550 0.295,551 12215,552 35200,553 2.186,554 40,556 16,558 1,559 3,564 1.735,565 2.093,566 3.346,567 0.933,569 1,573 86.006,574 1.72,575 3.953,576 4.764,577 5.244,578 5.244,579 5.244,580 2.727,581 4.206,582 4.878,583 3.515,584 1529.21,585 8.545,586 21275.9,588 1,590 1,591 282.193,592 1.231,593 4.859,594 0.191,595 0.007,596 0.06,597 0.034,598 0.034,599 0.023,600 0.015,601 0.009,602 0.009,603 0.008,604 0.39,605 0.33,606 0.88,607 0.424,608 152.744,609 -0.015,610 -0.052,611 0.113,612 0.03,613 -0.098,614 0.05,615 0.022,616 -0.015,617 -0.126,618 -0.127,619 0.058,620 -0.068,621 -0.214,622 -0.2,623 -0.205,624 -0.166,625 -0.153,626 -0.133,627 -0.077,628 -0.014,629 -0.005,630 0.037,631 -0.115,632 0.008,633 0.002,634 0.068,635 0.088,636 0.081,637 -0.001,638 0.1,639 -0.077,640 -0.017,641 -0.089,642 -0.019,643 0.019,644 -0.086,645 0.152,646 0.075,647 0.032,648 0.005,649 0.085,650 -0.035,651 -0.002,652 -0.016,653 -0.061,654 -0.066,655 -0.003,656 -0.086,657 2.002,658 4.755,659 0.9,660 28.733,661 1.011,662 1.125,663 2.615,664 6.836,665 0.698,666 3.555,667 3.892,668 4.159,669 4.443,670 4.691,671 4.779,672 4.956,673 5.124,674 5.247,675 5.389,676 6.484,677 0.669,678 420.54,679 3.555,680 5.106,681 5.958,682 6.838,683 7.705,684 8.588,685 9.46,686 10.345,687 11.221,688 12.106,689 12,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,728 1,731 50,733 23,734 2,735 34,737 54,738 21,739 17,740 5,741 7,746 5,747 6,761 17,762 4,766 1,771 1,776 1,778 1,781 20,782 7,783 3,784 9,785 1,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,840 4,842 1,848 30,850 1,853 1,854 4,855 1,859 1,870 4,872 1,873 1,877 14.333,878 8.833,879 6.417,880 2.874,881 3.85,882 1.486,883 1.028,884 5.212,885 11.766,886 3.85,887 4.48,888 5.068,889 5.68,890 6.22,891 6.531,892 6.984,893 7.422,894 7.723,895 8.149,896 0.857,897 46,898 11.097,900 4.849,901 7.752,902 21.222,904 17.928,905 2.252,906 67.556,908 1,909 1,910 200.109,911 127.644,912 88.032,914 64.84,916 19.133,917 108.511,918 264.949,919 88.032,921 6.011,922 94.943,923 126.845,924 58.118,925 6.371,926 188.338,928 200.109,929 196.544,930 64.84,931 19.133,933 200.109,934 64.84,937 54.388,938 91.922,939 50.234,940 19.133,941 200.109,942 152.872,943 127.644,946 219.241,947 23.654,948 87.982,949 34.674,950 115.074,951 200.109,952 152.872,953 127.644,955 0.585,956 0.334,957 0.182,958 0.102,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.204,966 279.032,967 0.074,968 27,969 143.207,972 1,974 19.188,975 8.148,976 4.243,977 1.965,978 136.209,979 16.554,980 13.498,981 2.944,984 3.797,986 77.357,987 480.625,988 46,993 11.755,998 -0.78,999 50.527,1000 56.235,1001 0.305,1002 0.7,1003 0.844,1004 0.929,1005 0.929,1006 0.929,1007 5.085,1008 1.534,1009 5.938,1010 5.665,1011 4.575,1012 5.168,1013 2.98,1014 6.725,1015 4.459,1016 6.294,1017 1.42,1018 7.476,1019 4.214,1020 4.111,1021 4.945,1022 0.325,1023 7.516,1024 3.923,1025 7.598,1026 1.269,1027 9.106,1028 3.985,1029 6.151,1030 7.381,1031 5.03,1032 10.599,1033 5.934,1034 8.934,1035 1.098,1036 10.79,1037 3.398,1038 6.479,1039 7.973,1040 0.268,1041 12.195,1042 6.206,1043 10.299,1044 1.037,1045 12.508,1046 2.498,1047 7.978,1048 9.876,1049 7.185,1050 14.767,1051 7.678,1052 11.684,1053 1,1054 14.249,1055 2.446,1056 8.684,1057 10.875,1058 0.188,1059 16.715,1060 8.341,1061 13.084,1062 0.488,1063 16.008,1064 2.275,1065 9.95,1066 12.539,1067 9.348,1068 19.092,1069 9.577,1070 3.042,1071 -0.051,1072 17.779,1073 1.188,1074 10.846,1075 13.756,1076 0.125,1077 21.201,1078 10.436,1079 2.936,1080 9.739,1081 19.561,1082 -0.149,1083 12.006,1084 15.306,1085 11.511,1086 23.499,1087 11.567,1088 2.747,1089 9.263,1090 21.351,1091 4.367,1092 12.998,1093 16.637,1094 0.082,1095 25.682,1096 12.524,1097 2.505,1098 8.722,1099 23.147,1100 4.044,1101 14.113,1102 18.134,1103 13.675,1104 27.949,1105 13.608,1106 2.296,1107 7.449,1108 24.949,1109 3.571,1110 15.153,1111 19.524,1112 0.054,1113 30.167,1114 14.614,1115 2.181,1116 6.324,1117 26.754,1118 3.101,1119 16.251,1120 20.998,1121 15.838,1122 32.423,1123 15.68,1124 1.941,1125 5.982,1126 28.564,1127 2.943,1128 17.315,1129 22.42,1130 0.035,1131 34.659,1132 16.71,1133 11232,1134 19213,1135 23.463,1136 34.921,1137 51.431,1138 53.64,1139 51.739,1140 51.079,1141 50.987,1142 68.342,1143 8.3,1144 146.292,1145 47.987,1146 5.434,1147 6.619,1148 5.873,1149 5.134,1150 5.042,1151 7.367,1152 5.9,1153 16.256,1154 4.91,1155 10.435,1156 1.513,1157 1.578,1158 1.522,1159 1.502,1160 1.5,1161 2.01,1162 0.244,1163 4.303,1164 1.411,1165 4.107,1166 4.15,1167 4.33,1168 3.997,1169 7.396,1170 4.008,1171 3.985,1172 4.022,1173 4.064,1174 3.894,1175 6.471,1176 3.895,1177 3.846,1178 3.874,1179 3.929,1180 3.803,1181 5.106,1182 3.722,1183 3.683,1184 3.721,1185 3.69,1186 3.551,1187 4.979,1188 3.553,1189 3.375,1190 3.443,1191 3.341,1192 3.178,1193 4.584,1194 3.2,1195 3.111,1196 3.206,1197 3.191,1198 2.961,1199 4.432,1200 2.92,1201 3.101,1202 3.125,1203 2.894,1204 2.941,1205 4.134,1206 2.91,1207 2.989,1208 3.046,1209 2.866,1210 2.849,1211 3.961,1212 2.849,1213 0.13,1214 0.136,1215 0.186,1216 0.117,1217 0.089,1218 4.434,1219 0.128,1220 4.619,1221 0.087,1222 6.321,1223 0.286,1224 3.99,1225 0.086,1226 3.042,1227 4.367,1228 2.95,1229 9.739,1230 2.91,1231 1.96,1232 1.933,1233 2.039,1234 2.081,1235 1.33,1236 2.071,1237 1.913,1238 1.89,1239 2.001,1240 2.002,1241 1.155,1242 2.005,1243 1.791,1244 1.762,1245 1.897,1246 1.932,1247 1.099,1248 1.959,1249 1.6,1250 1.566,1251 1.685,1252 1.756,1253 0.825,1254 1.754,1255 1.31,1256 1.229,1257 1.513,1258 1.636,1259 0.744,1260 1.59,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.439,1266 1.429,1267 1.076,1268 1.023,1269 1.221,1270 1.284,1271 0.407,1272 1.279,1273 0.978,1274 0.949,1275 1.141,1276 1.171,1277 0.301,1278 1.199,1279 4.234,1281 5.565,1282 2.398,1283 7.083,1284 4.595,1285 8.684,1286 6.581,1287 10.329,1294 9.894,1295 2.52,1296 3.357,1300 2.054,1305 33.433,1306 86.006,1307 197.663,1308 238.193,1309 262.193,1310 262.193,1311 262.193,1312 46.185,1313 7.916,1314 107.03,1315 126.24,1316 29,1317 12.64,1318 4.585,1319 3.7,1320 41.289,1321 115,1322 116,1323 0.171,1324 205.858,1325 342.15,1326 494.053,1327 29453,1329 20.501,1330 0.683,1331 0.563,1332 20.79,1333 16.894,1334 14.636,1335 0.43,1336 0.327,1337 9.62,1338 13.405,1339 9.321,1340 7.653,1341 15.333,1342 11.113,1343 13.511,1344 0.281,1345 0.184,1346 14.352,1347 8.817,1348 11.313,1349 0.18,1350 0.1,1351 11.973,1352 6.305,1353 9.648,1354 0.115,1355 0.054,1356 10.219,1357 4.512,1358 7.96,1359 0.074,1360 0.031,1361 8.629,1362 3.36,1363 0.264,1364 98.695,1365 0.206,1366 28.092,1367 0.482,1368 164,1369 475.992,1370 205.186,1371 486.67,1372 670.04,1373 454,1374 193,1375 488.21,1376 233.163,1377 512.636,1378 741.48,1379 482,1380 5.108}
{0 CHEMBL1289425,1 1.561,2 9.724,3 3.568,4 12.733,5 113.125,6 7.75,7 0.667,8 4.048,9 4.179,10 3.656,11 3.565,12 5.171,13 3.567,14 4.555,15 4.73,16 4.011,17 3.963,18 5.644,19 3.942,20 4.803,21 5.024,22 4,23 4.069,24 5.8,25 4.009,26 4.804,27 5.053,28 3.922,29 3.994,30 5.778,31 3.923,32 4.686,33 4.917,34 3.928,35 3.938,36 5.74,37 3.889,38 4.661,39 4.861,40 3.942,41 3.985,42 5.682,43 3.941,44 4.764,45 4.981,46 3.984,47 4.066,48 5.792,49 3.992,50 4.837,51 5.066,52 3.891,53 4.109,54 5.76,55 4.006,56 0.089,57 0.833,58 9.831,59 3.913,60 9.899,61 5.159,62 0.233,63 1.323,64 17.849,65 6.489,66 19.396,67 8.903,68 0.308,69 1.535,70 25.576,71 8.472,72 31.79,73 12.092,74 0.346,75 1.485,76 27.011,77 8.474,78 36.396,79 12.501,80 0.409,81 1.373,82 23.251,83 7.28,84 39.812,85 10.54,86 0.245,87 1.386,88 21.091,89 6.96,90 23.796,91 9.802,92 0.416,93 1.479,94 24.27,95 8.756,96 35.548,97 12.455,98 0.255,99 1.512,100 26.809,101 10.036,102 30.796,103 14.136,104 2,105 46,106 0.259,107 0.634,108 0.764,109 0.871,110 0.871,111 0.871,112 3.409,113 0.872,114 -3.92,115 -3.87,116 -3.67,119 42,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 7,183 7,187 4,190 1,192 6,195 6,199 7,202 2,204 2,207 3,212 7,215 4,216 1,217 3,220 3,224 6,229 1,232 2,236 1,237 7,240 3,241 2,242 4,245 6,255 2,258 6,262 2,263 1,266 2,268 6,271 4,275 1386,276 20.118,277 20.118,278 20.118,279 20.118,280 20.118,281 17.597,282 23.558,283 12.015,284 20.583,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.556,291 39.484,292 5.802,293 17.162,294 4.083,295 1.826,296 1.04,297 0.4,298 0.4,299 0.4,300 4.124,304 1,305 1,306 632,307 2.345,310 70.523,311 343.366,314 119.682,318 1.427,319 21.796,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 62.5,331 282,332 4.434,333 3.184,334 6.32,335 3.989,336 3.039,337 4.367,338 0.8,339 9.735,340 2.91,341 4.368,342 2.976,343 6.195,344 3.914,345 2.936,346 4.044,347 0.4,348 9.263,349 2.869,350 4.026,351 2.877,352 6.033,353 3.673,354 2.727,355 3.571,356 0.4,357 8.707,358 2.559,359 3.742,360 2.656,361 5.51,362 3.42,363 2.477,364 3.096,366 7.44,367 2.331,368 3.582,369 2.418,370 5.1,371 3.191,372 2.234,373 2.89,375 6.245,376 2.132,377 3.347,378 2.1,379 4.926,380 2.933,381 1.979,382 2.637,384 5.699,385 1.882,386 3.034,387 1.922,388 4.419,389 2.655,390 1.722,391 2.301,393 4.378,394 1.602,395 2.923,396 1.534,397 4.356,398 2.517,399 1.534,400 2.018,402 4.194,403 1.507,404 2.789,405 1.475,406 4.134,407 2.328,408 1.363,409 1.887,411 3.563,412 1.311,413 2.589,414 1.297,415 3.493,416 2.089,417 1.129,418 1.631,420 2.619,421 1.082,422 2.547,423 1.146,424 3.469,425 2.048,426 1.087,427 1.569,428 2.476,429 1.043,430 2.198,431 1.109,432 3.449,433 1.967,434 1,435 1.171,436 2.445,437 0.965,438 2,439 1.041,440 3.247,441 1.94,442 1,443 1,445 2.136,446 0.937,447 1.956,448 0.524,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.264,457 0.075,458 2.906,459 0.892,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 13.633,466 0.47,467 0.602,468 0.021,469 41.5,470 1.431,471 21.5,472 0.741,473 20,474 0.69,475 20.946,476 0.722,477 30.167,478 0.603,479 30.401,480 1.048,481 8.222,482 0.284,483 6.02,484 0.208,485 0.024,487 0.323,493 1.004,494 1.287,495 0.773,496 0.976,497 0.936,498 0.861,499 0.891,500 1.112,501 0.888,502 0.997,503 0.611,504 0.943,505 1.099,506 1.113,507 1.024,508 1.021,509 0.952,510 1.008,511 0.984,512 1.039,513 0.943,514 0.948,515 0.9,516 0.933,517 0.969,518 0.891,519 0.922,520 0.831,521 0.874,522 0.855,523 1.212,524 1.165,525 1.089,526 1.032,527 0.997,528 1.028,529 0.653,530 0.961,531 0.972,532 1.038,533 0.605,534 1.049,535 0.873,536 1.014,537 1.068,538 1.137,539 0.912,540 1.134,541 5.5,542 0.117,543 2.444,544 1.507,545 1.195,546 0.872,547 0.575,548 0.306,549 0.286,550 0.223,551 11232,552 28564,553 2.215,554 42,556 16,558 1,559 4,564 1.726,565 2.148,566 3.292,567 1.663,569 1,573 78.064,574 1.561,575 3.818,576 4.604,577 5.244,578 5.244,579 5.244,580 2.66,581 4.651,582 4.83,583 3.466,584 1407.06,585 8.447,586 19080.8,588 1,590 1,591 282.193,592 1.091,593 4.82,594 0.167,595 0.005,596 0.053,597 0.034,598 0.03,599 0.021,600 0.014,601 0.007,602 0.007,603 0.007,604 0.345,605 0.17,606 0.88,607 0.335,608 145.837,609 -0.08,610 -0.099,611 0.043,612 0.019,613 -0.099,614 0.042,615 0.017,616 0.029,617 -0.016,618 -0.031,619 0.089,620 -0.03,621 -0.138,622 -0.088,623 -0.074,624 -0.05,625 -0.071,626 -0.05,627 -0.044,628 -0.055,629 0.048,630 0.012,631 -0.028,632 0.041,633 0.048,634 0.149,635 0.048,636 0.112,637 0.047,638 0.086,639 -0.244,640 -0.079,641 -0.175,642 -0.075,643 -0.163,644 -0.102,645 0.204,646 0.065,647 -0.04,648 -0.044,649 0.159,650 -0.074,651 -0.092,652 -0.052,653 -0.125,654 -0.106,655 -0.105,656 -0.115,657 1.454,658 3.891,659 0.931,660 26.214,661 1.005,662 1.132,663 2.687,664 7.221,665 0.676,666 3.526,667 3.85,668 4.127,669 4.419,670 4.654,671 4.727,672 4.927,673 5.075,674 5.193,675 5.313,676 6.298,677 0.651,678 387.49,679 3.526,680 5.069,681 5.922,682 6.799,683 7.665,684 8.547,685 9.419,686 10.303,687 11.179,688 12.063,689 14,691 1,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,728 1,731 50,733 22,734 2,735 33,737 54,738 21,739 17,740 5,741 7,746 5,747 6,761 17,762 4,778 1,781 21,782 7,783 4,784 8,790 7,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,835 1,840 4,848 29,853 1,854 4,855 2,859 1,870 2,872 1,877 13.5,878 8.75,879 6.25,880 2.929,881 3.857,882 1.492,883 1.03,884 4.857,885 11.697,886 3.807,887 4.434,888 5.043,889 5.666,890 6.204,891 6.507,892 6.968,893 7.395,894 7.689,895 8.099,896 1,897 44,898 10.676,900 4.59,901 7.632,902 20.571,904 17.142,905 2.132,906 61.833,908 1,909 1,910 200.109,911 110.923,912 106.043,914 42.683,917 110.923,918 242.792,919 106.043,921 8.423,922 93.821,923 104.689,924 58.118,925 6.371,926 188.338,928 200.109,929 216.966,930 42.683,933 200.109,934 42.683,937 74.811,938 91.922,939 50.234,941 200.109,942 148.726,943 110.923,946 200.109,947 26.066,948 87.982,949 52.685,950 92.917,951 200.109,952 148.726,953 110.923,955 0.579,956 0.334,957 0.187,958 0.103,959 24,960 9,961 0.074,962 4,963 1,964 1.074,965 4.148,966 266.541,967 0.074,968 27,969 136.881,974 18.068,975 7.796,976 3.936,977 2.014,978 132.063,979 16.819,980 13.603,981 2.959,984 4.123,986 95.368,987 459.758,988 44,999 50.225,1000 56.604,1001 0.277,1002 0.677,1003 0.816,1004 0.929,1005 0.929,1006 0.929,1007 5.034,1008 1.534,1009 5.889,1010 4.378,1011 4.533,1012 5.121,1013 0.956,1014 6.673,1015 4.443,1016 6.233,1017 1.363,1018 7.421,1019 4.194,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.863,1025 7.532,1026 1.129,1027 9.049,1028 3.563,1029 6.098,1030 7.34,1031 0.447,1032 10.558,1033 5.923,1034 8.866,1035 1.087,1036 10.733,1037 2.619,1038 6.399,1039 7.923,1040 0.268,1041 12.164,1042 6.173,1043 10.231,1044 1,1045 12.455,1046 2.476,1047 7.926,1048 9.849,1049 0.252,1050 14.742,1051 7.672,1052 11.619,1053 1,1054 14.201,1055 2.445,1056 8.623,1057 10.85,1058 0.188,1059 16.699,1060 8.324,1061 13.024,1062 0.488,1063 15.964,1064 2.136,1065 9.903,1066 12.524,1067 0.158,1068 19.077,1069 9.575,1070 3.039,1071 -0.051,1072 17.741,1073 1.187,1074 10.797,1075 13.743,1076 0.125,1077 21.191,1078 10.428,1079 2.936,1080 9.735,1081 19.528,1082 -0.149,1083 11.966,1084 15.298,1085 0.103,1086 23.489,1087 11.566,1088 2.727,1089 9.263,1090 21.322,1091 4.367,1092 12.958,1093 16.63,1094 0.082,1095 25.674,1096 12.52,1097 2.477,1098 8.707,1099 23.122,1100 4.044,1101 14.078,1102 18.13,1103 0.067,1104 27.941,1105 13.608,1106 2.234,1107 7.44,1108 24.927,1109 3.571,1110 15.118,1111 19.521,1112 0.054,1113 30.16,1114 14.612,1115 1.979,1116 6.245,1117 26.736,1118 3.096,1119 16.218,1120 20.996,1121 0.043,1122 32.416,1123 15.68,1124 1.722,1125 5.699,1126 28.548,1127 2.89,1128 17.284,1129 22.419,1130 0.035,1131 34.652,1132 16.709,1133 10267,1134 16523,1135 23.057,1136 33.824,1137 49.737,1138 49.414,1139 49.675,1140 49.5,1141 49.434,1142 65.775,1143 3.2,1144 140.175,1145 47.194,1146 5.434,1147 5.184,1148 6.122,1149 5.067,1150 5.039,1151 7.367,1152 1.2,1153 16.249,1154 4.91,1155 7.12,1156 1.507,1157 1.497,1158 1.505,1159 1.5,1160 1.498,1161 1.993,1162 0.097,1163 4.248,1164 1.43,1165 4.106,1166 4.15,1167 4.068,1168 3.995,1169 6.471,1170 4.007,1171 3.981,1172 4.022,1173 3.941,1174 3.886,1175 5.106,1176 3.892,1177 3.814,1178 3.871,1179 3.734,1180 3.636,1181 4.98,1182 3.655,1183 3.656,1184 3.718,1185 3.564,1186 3.479,1187 4.585,1188 3.491,1189 3.37,1190 3.442,1191 3.303,1192 3.172,1193 4.443,1194 3.195,1195 3.111,1196 3.206,1197 2.907,1198 2.941,1199 4.346,1200 2.91,1201 3.006,1202 3.097,1203 2.887,1204 2.849,1205 3.97,1206 2.849,1207 2.988,1208 3.044,1209 2.866,1210 2.782,1211 3.822,1212 2.802,1213 0.134,1214 0.096,1215 0.192,1216 0.121,1217 0.092,1218 4.434,1219 0.132,1220 3.184,1221 0.024,1222 6.32,1223 0.295,1224 3.989,1225 0.088,1226 3.039,1227 4.367,1228 0.8,1229 9.735,1230 2.91,1231 1.96,1232 1.932,1233 2.041,1234 2.087,1235 1.251,1236 2.072,1237 1.912,1238 1.889,1239 2.002,1240 2.007,1241 1.155,1242 2.007,1243 1.761,1244 1.696,1245 1.957,1246 1.961,1247 1.098,1248 1.966,1249 1.585,1250 1.532,1251 1.697,1252 1.774,1253 0.825,1254 1.756,1255 1.31,1256 1.229,1257 1.513,1258 1.637,1259 0.738,1260 1.59,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.071,1268 1.016,1269 1.228,1270 1.298,1271 0.366,1272 1.282,1273 0.928,1274 0.857,1275 1.189,1276 1.205,1277 0.3,1278 1.204,1279 4.205,1281 5.525,1282 2.398,1283 7.04,1284 4.595,1285 8.64,1286 6.581,1287 10.284,1294 9.891,1295 3.507,1296 6.745,1300 2.174,1305 32.552,1306 78.064,1307 190.909,1308 230.193,1309 262.193,1310 262.193,1311 262.193,1312 35.648,1313 7.84,1314 101.99,1315 101.99,1316 29,1317 12.598,1318 4.524,1319 3.585,1320 39.316,1321 108,1322 100,1323 0.173,1324 197.525,1325 325.85,1326 473.721,1327 26962,1329 19.631,1330 0.677,1331 0.543,1332 19.631,1333 15.761,1334 14.242,1335 0.432,1336 0.291,1337 9.443,1338 13.673,1339 9.302,1340 7.673,1341 14.242,1342 9.588,1343 12.889,1344 0.28,1345 0.153,1346 12.889,1347 7.023,1348 10.903,1349 0.179,1350 0.081,1351 10.903,1352 4.969,1353 9.496,1354 0.116,1355 0.043,1356 9.496,1357 3.486,1358 7.736,1359 0.074,1360 0.023,1361 7.736,1362 2.344,1363 0.267,1364 89.285,1365 0.208,1366 27.288,1367 0.49,1368 158,1369 427.729,1370 173.398,1371 422.807,1372 594.68,1373 398,1374 186,1375 457.96,1376 201.955,1377 463.974,1378 677.88,1379 438,1380 4.796}
{0 CHEMBL1289467,1 1.562,2 10.038,3 2.139,4 4.576,5 100.683,6 7.873,7 0.759,8 3.909,9 4.019,10 3.528,11 3.454,12 5.099,13 3.457,14 4.382,15 4.53,16 3.864,17 3.83,18 5.493,19 3.821,20 4.515,21 4.657,22 3.949,23 3.96,24 5.658,25 3.925,26 4.636,27 4.823,28 3.872,29 3.977,30 5.681,31 3.913,32 4.682,33 4.897,34 3.782,35 3.935,36 5.678,37 3.854,38 4.576,39 4.796,40 3.734,41 3.832,42 5.587,43 3.754,44 4.509,45 4.741,46 3.643,47 3.713,48 5.508,49 3.642,50 4.355,51 4.564,52 3.49,53 3.599,54 5.405,55 3.52,56 0.049,57 0.651,58 8.128,59 3.679,60 9.915,61 4.459,62 0.236,63 0.991,64 15.24,65 6.074,66 19.545,67 7.317,68 0.236,69 1.152,70 16.397,71 7.211,72 21.89,73 9.041,74 0.201,75 1.254,76 20.38,77 8.221,78 25.014,79 10.674,80 0.33,81 1.274,82 23.2,83 8.619,84 33.727,85 11.325,86 0.242,87 1.163,88 20.53,89 7.847,90 27.512,91 10.722,92 0.348,93 1.059,94 20.249,95 7.139,96 28.483,97 9.746,98 0.225,99 0.933,100 16.142,101 6.086,102 22.435,103 8.141,104 14,105 41,106 0.267,107 0.617,108 0.762,109 0.841,110 0.856,111 0.864,112 3.305,113 0.838,114 -2.9,115 -2.91,116 -2.81,119 45.5,124 2,142 5,143 5,144 3,145 3,151 1,161 1,163 1,164 1,165 1,172 9,175 5,178 1,180 3,183 9,185 1,186 1,187 9,189 1,190 1,192 3,195 8,197 1,199 6,204 4,207 6,209 1,211 1,212 5,217 3,220 5,222 1,224 4,226 1,227 2,229 2,232 4,234 1,236 1,237 3,240 2,242 1,245 3,247 1,249 1,250 4,254 1,255 1,257 1,258 1,260 1,263 3,268 2,273 2,275 986,276 17.98,277 17.98,278 17.98,279 17.98,280 17.98,281 15.477,282 10.395,283 10.403,284 18.511,285 14.189,286 14.189,287 14.189,288 14.189,289 14.189,290 10.308,291 10.44,292 4.749,293 14.855,294 3.898,295 1.845,296 0.997,297 0.534,298 0.443,299 0.398,300 4.003,303 1,304 1,305 1,306 566,307 2.55,310 55.15,311 219.87,314 99.34,318 1.583,319 18.175,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 56,331 261,332 4.63,333 3.253,334 6.733,335 4.181,336 3.198,337 4.571,338 0.86,339 11.004,340 3.147,341 4.27,342 3.111,343 6.193,344 3.869,345 2.896,346 3.926,347 0.86,348 9.24,349 2.833,350 4.154,351 2.832,352 6.115,353 3.734,354 2.771,355 3.785,357 8.946,358 2.648,359 3.717,360 2.413,361 5.665,362 3.302,363 2.337,364 3.155,366 7.445,367 2.248,368 3.555,369 2.246,370 5.041,371 3.135,372 2.17,373 2.947,375 6.051,376 2.09,377 3.002,378 2.168,379 4.612,380 2.523,381 1.613,382 2.242,384 4.514,385 1.462,386 2.932,387 1.552,388 4.367,389 2.471,390 1.515,391 2.126,393 4.11,394 1.443,395 2.919,396 1.499,397 4.265,398 2.432,399 1.469,400 2.057,402 3.91,403 1.413,404 2.663,405 1.208,406 3.948,407 2.124,408 1.183,409 1.741,411 2.967,412 1.111,413 2.537,414 1.096,415 3.473,416 2.006,417 1.048,418 1.555,420 2.511,421 1.001,422 2.071,423 0.976,424 3.243,425 1.618,426 0.711,427 0.914,428 1.514,429 0.639,430 1.846,431 0.931,432 3.027,433 1.445,434 0.523,435 0.696,436 1.09,437 0.48,438 1.452,439 0.552,440 2.661,441 1.178,442 0.325,443 0.358,445 0.438,446 0.275,447 1.018,448 -0.023,449 2.601,450 0.592,451 -0.348,452 -0.45,454 -0.74,455 -0.325,456 0.899,457 -0.245,458 2.42,459 0.511,460 -0.424,461 -0.526,463 -0.897,464 -0.393,465 12.267,466 0.472,467 0.568,468 0.022,469 38.75,470 1.49,471 21.5,472 0.827,473 17.25,474 0.663,475 17.029,476 0.655,477 26.733,478 0.608,479 28.357,480 1.091,481 7.947,482 0.306,483 4.743,484 0.182,485 0.114,487 0.367,493 0.974,494 1.174,495 0.75,496 0.983,497 1.053,498 0.847,499 1.336,500 0.838,501 0.825,502 0.712,503 1.01,504 0.696,505 0.814,506 1.172,507 0.939,508 1.125,509 0.824,510 1.068,511 0.971,512 1.13,513 1.038,514 1.119,515 0.898,516 1.094,517 1.113,518 0.983,519 1.074,520 0.986,521 1.033,522 1.023,523 0.72,524 1.083,525 0.914,526 1.077,527 0.806,528 1.036,529 0.892,530 0.895,531 0.886,532 0.885,533 0.83,534 0.886,535 0.889,536 1.151,537 1.077,538 1.173,539 0.869,540 1.16,541 5,542 0.103,543 3.333,544 1.569,545 1.454,546 0.924,547 0.595,548 0.372,549 0.265,550 0.164,551 7754,552 21388,553 2.124,554 40.9,556 11,557 1,558 3,559 3,564 1.693,565 2,566 3.338,567 0.936,568 1,569 1,573 68.718,574 1.562,575 3.615,576 4.462,577 4.925,578 5.016,579 5.061,580 2.763,581 4.624,582 4.671,583 3.457,584 1123.51,585 8.105,586 13689.8,588 1,590 1,591 240.215,592 1.37,593 4.637,594 0.172,595 0.007,596 0.081,597 0.036,598 0.037,599 0.026,600 0.018,601 0.012,602 0.011,603 0.009,604 0.411,605 0.33,606 1,607 0.825,608 126.014,609 -0.092,610 -0.061,611 0.043,612 -0.013,613 -0.168,614 0.035,615 -0.18,616 0.207,617 0.067,618 0.265,619 -0.094,620 0.215,621 0.084,622 -0.126,623 -0.091,624 -0.139,625 0.041,626 -0.144,627 -0.111,628 -0.129,629 -0.126,630 -0.132,631 -0.093,632 -0.131,633 -0.134,634 -0.014,635 -0.099,636 -0.004,637 -0.119,638 -0.042,639 0.089,640 -0.107,641 0.049,642 -0.092,643 0.076,644 -0.041,645 0.11,646 0.07,647 0.127,648 0.088,649 0.093,650 0.104,651 0.033,652 -0.158,653 -0.119,654 -0.205,655 0.043,656 -0.194,657 1.045,658 1.92,659 0.808,660 22.604,661 1.006,662 1.121,663 1.674,664 2.801,665 0.688,666 3.401,667 3.738,668 4.06,669 4.344,670 4.585,671 4.71,672 4.89,673 5.043,674 5.142,675 5.231,676 5.976,677 0.664,678 346.42,679 3.401,680 4.949,681 5.82,682 6.711,683 7.598,684 8.495,685 9.39,686 10.29,687 11.189,688 12.091,689 9.1,693 1,697 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,722 1,729 2,731 44,733 22,734 1,735 29,737 47,738 20,739 18,740 3,741 3,746 4,747 5,761 18,762 2,777 1,778 1,781 18,782 5,783 3,784 6,790 4,794 0.75,795 2,805 2,807 1,811 1,812 3,815 1,840 3,844 2,848 26,849 1,856 2,870 4.5,875 2,877 13,878 8.567,879 5.806,880 2.319,881 4.174,882 1.543,883 1.026,884 4.328,885 11.859,886 3.714,887 4.385,888 5.063,889 5.713,890 6.307,891 6.719,892 7.252,893 7.758,894 8.162,895 8.604,896 0.857,897 43,898 9.509,900 3.993,901 7.673,902 18.106,904 14.653,905 2.173,906 56.5,910 176.567,911 135.611,912 83.254,914 22,917 135.611,918 198.566,919 83.254,920 21.766,922 89.326,923 70.6,924 94.486,925 11.771,926 129.482,928 176.567,929 218.865,930 22,933 176.567,934 22,937 45.643,938 139.651,939 33.571,941 176.567,942 105.254,943 135.611,946 176.567,947 30.274,948 105.337,949 16.786,950 88.468,951 176.567,952 105.254,953 135.611,955 0.579,956 0.356,957 0.197,958 0.105,959 21,960 9,961 0.085,962 4,963 1,964 1.095,965 3.758,966 227.422,967 0.095,968 21,969 122.211,974 16.578,975 6.788,976 3.063,977 1.826,978 88.468,979 16.984,980 8.689,981 3.219,984 5.934,986 49.683,987 417.431,988 40,999 44.247,1000 49.318,1001 0.286,1002 0.662,1003 0.817,1004 0.902,1005 0.919,1006 0.927,1007 4.938,1008 1.469,1009 5.808,1010 4.11,1011 4.419,1012 5.072,1013 1.376,1014 6.645,1015 4.342,1016 6.17,1017 1.183,1018 7.382,1019 3.91,1020 4.007,1021 4.913,1023 7.591,1024 3.929,1025 7.495,1026 1.048,1027 9.055,1028 2.967,1029 6.038,1030 7.371,1031 1.159,1032 10.695,1033 5.914,1034 8.86,1035 0.711,1036 10.785,1037 2.511,1038 6.463,1039 8.058,1041 12.464,1042 6.334,1043 10.256,1044 0.523,1045 12.552,1046 1.514,1047 7.944,1048 9.961,1049 0.963,1050 15.078,1051 7.785,1052 11.675,1053 0.325,1054 14.345,1055 1.09,1056 8.748,1057 11.052,1059 17.185,1060 8.58,1061 13.111,1062 -0.348,1063 16.155,1064 0.438,1065 10.012,1066 12.72,1067 0.787,1068 19.634,1069 9.821,1070 3.198,1071 -0.424,1072 17.979,1073 -0.74,1074 10.992,1075 14.015,1077 21.887,1078 10.789,1079 2.896,1080 11.004,1081 19.814,1082 -0.897,1083 12.17,1084 15.581,1085 0.634,1086 24.282,1087 11.949,1088 2.771,1089 9.24,1090 21.656,1091 4.571,1092 13.231,1093 16.979,1095 26.603,1096 12.998,1097 2.337,1098 8.946,1099 23.506,1100 3.926,1101 14.378,1102 18.503,1103 0.504,1104 28.983,1105 14.129,1106 2.17,1107 7.445,1108 25.361,1109 3.785,1110 15.479,1111 19.955,1113 31.336,1114 15.217,1115 1.613,1116 6.051,1117 27.221,1118 3.155,1119 16.616,1120 21.464,1121 0.395,1122 33.716,1123 16.34,1124 1.515,1125 4.514,1126 29.086,1127 2.947,1128 17.737,1129 22.943,1131 36.086,1132 17.448,1133 7421,1134 12427,1135 19.592,1136 30.262,1137 43.636,1138 44.232,1139 45.507,1140 43.382,1141 43.515,1142 60.147,1143 3.44,1144 127.48,1145 41.578,1146 5.312,1147 5.253,1148 6.287,1149 5.228,1150 5.198,1151 7.571,1152 1.72,1153 18.183,1154 5.147,1155 11.616,1156 1.505,1157 1.525,1158 1.569,1159 1.496,1160 1.501,1161 2.074,1162 0.119,1163 4.396,1164 1.434,1165 4.149,1166 4.182,1167 4.119,1168 4.06,1169 5.161,1170 4.071,1171 3.893,1172 3.921,1173 3.849,1174 3.808,1175 5.052,1176 3.814,1177 3.811,1178 3.844,1179 3.762,1180 3.683,1181 4.902,1182 3.697,1183 3.363,1184 3.415,1185 3.286,1186 3.219,1187 4.649,1188 3.229,1189 3.247,1190 3.314,1191 3.063,1192 2.969,1193 4.496,1194 2.98,1195 3.219,1196 3.29,1197 3.049,1198 2.945,1199 4.366,1200 2.955,1201 2.974,1202 3.087,1203 2.833,1204 2.736,1205 4.195,1206 2.744,1207 2.864,1208 2.938,1209 2.747,1210 2.668,1211 3.882,1212 2.672,1213 0.16,1214 0.112,1215 0.232,1216 0.144,1217 0.11,1218 4.63,1219 0.158,1220 3.253,1221 0.03,1222 6.733,1223 0.379,1224 4.181,1225 0.109,1226 3.198,1227 4.571,1228 0.86,1229 11.004,1230 3.147,1231 1.981,1232 1.962,1233 2.045,1234 2.07,1235 1.192,1236 2.063,1237 1.877,1238 1.856,1239 1.964,1240 1.988,1241 1.058,1242 1.981,1243 1.691,1244 1.652,1245 1.785,1246 1.866,1247 0.83,1248 1.845,1249 1.43,1250 1.379,1251 1.609,1252 1.654,1253 0.619,1254 1.643,1255 1.192,1256 1.116,1257 1.576,1258 1.523,1259 0.574,1260 1.539,1261 1.175,1262 1.1,1263 1.507,1264 1.458,1265 0.534,1266 1.481,1267 1.055,1268 0.999,1269 1.254,1270 1.289,1271 0.309,1272 1.287,1273 0.845,1274 0.757,1275 1.117,1276 1.106,1277 0.157,1278 1.114,1279 4.078,1281 5.407,1282 2.398,1283 6.944,1284 4.727,1285 8.571,1286 6.843,1287 10.245,1289 3.252,1293 5.854,1297 10.74,1305 29.203,1306 68.718,1307 159.056,1308 196.341,1309 216.705,1310 220.705,1311 222.705,1312 32.118,1313 7.685,1314 86.05,1315 86.05,1316 23,1317 12.612,1318 4.524,1319 3.585,1320 37.959,1321 92,1322 93,1323 0.203,1324 178.939,1325 296.7,1326 428.372,1327 22215,1329 18.096,1330 0.696,1331 0.557,1332 18.096,1333 14.484,1334 12.69,1335 0.438,1336 0.279,1337 7.953,1338 12.146,1339 7.71,1340 6.447,1341 12.69,1342 8.098,1343 11.18,1344 0.273,1345 0.144,1346 11.18,1347 5.899,1348 9.988,1349 0.175,1350 0.076,1351 9.988,1352 4.318,1353 8.517,1354 0.112,1355 0.04,1356 8.517,1357 3.019,1358 6.872,1359 0.071,1360 0.021,1361 6.872,1362 2.01,1363 0.314,1364 80.069,1365 0.226,1366 24.811,1367 0.572,1368 140,1369 408.406,1370 151.669,1371 396.537,1372 553.19,1373 374,1374 168,1375 414.485,1376 180.613,1377 427.184,1378 621.31,1379 398,1380 6.178}
{0 CHEMBL1289468,1 1.631,2 13.743,3 4.996,4 24.964,5 136.752,6 8.372,7 0.718,8 4.178,9 4.264,10 3.971,11 3.797,12 5.314,13 3.77,14 4.68,15 4.8,16 4.265,17 4.175,18 5.973,19 4.139,20 4.865,21 5.004,22 4.356,23 4.313,24 6.048,25 4.251,26 4.964,27 5.124,28 4.316,29 4.321,30 6.166,31 4.25,32 5.022,33 5.215,34 4.221,35 4.29,36 6.162,37 4.215,38 4.916,39 5.111,40 4.174,41 4.241,42 6.009,43 4.159,44 4.883,45 5.082,46 4.14,47 4.2,48 5.961,49 4.115,50 4.834,51 5.026,52 4.057,53 4.138,54 5.972,55 4.046,56 0.107,57 0.814,58 12.37,59 5.517,60 17.064,61 5.96,62 0.451,63 1.286,64 20.596,65 9.077,66 58.268,67 9.998,68 0.342,69 1.554,70 26.253,71 11.544,72 38.812,73 12.949,74 0.377,75 1.707,76 32.019,77 12.828,78 55.656,79 14.135,80 0.574,81 1.755,82 34.83,83 13.194,84 78.033,85 15.091,86 0.412,87 1.623,88 29.247,89 11.911,90 51.929,91 14.574,92 0.438,93 1.559,94 30.338,95 11.825,96 49.589,97 14.54,98 0.464,99 1.479,100 25.846,101 10.82,102 57.615,103 13.38,104 21,105 56,106 0.259,107 0.547,108 0.697,109 0.829,110 0.857,111 0.862,112 3.589,113 0.95,114 -4.35,115 -4.29,116 -4.05,119 46.6,124 2,142 13,143 5,144 4,145 1,151 1,161 1,172 16,174 1,175 4,178 3,180 4,183 18,186 1,187 11,192 6,195 14,199 14,204 7,207 9,212 11,217 4,220 12,224 8,227 2,229 3,232 15,236 1,237 4,240 1,242 2,245 17,249 3,250 4,254 1,255 2,258 13,263 7,268 2,271 9,275 2264,276 23.936,277 23.936,278 23.936,279 23.936,280 23.936,281 20.471,282 13.27,283 13.888,284 24.561,285 19.145,286 19.145,287 19.145,288 19.145,289 19.145,290 13.772,291 11.754,292 6.406,293 19.987,294 4.227,295 2.418,296 1.476,297 0.647,298 0.474,299 0.44,300 4.294,305 1,306 1050,307 3.742,310 82.682,311 438.3,314 145.53,318 2.15,319 35.579,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 75.5,331 481,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 0.86,339 12.507,340 3.15,341 4.629,342 3.253,343 6.733,344 4.18,345 3.197,346 4.57,347 0.86,348 11.005,349 3.089,350 4.27,351 3.112,352 6.196,353 3.869,354 2.895,355 3.926,357 9.254,358 2.833,359 4.155,360 2.848,361 6.119,362 3.735,363 2.77,364 3.786,366 8.963,367 2.65,368 3.731,369 2.467,370 5.668,371 3.325,372 2.356,373 3.176,375 7.469,376 2.277,377 3.603,378 2.297,379 5.359,380 3.18,381 2.213,382 3.055,384 6.801,385 2.133,386 3.503,387 2.171,388 4.807,389 2.974,390 1.977,391 2.93,393 5.206,394 1.97,395 3.002,396 1.981,397 4.612,398 2.523,399 1.613,400 2.242,402 4.517,403 1.462,404 2.946,405 1.555,406 4.372,407 2.471,408 1.515,409 2.144,411 4.133,412 1.449,413 2.919,414 1.539,415 4.304,416 2.462,417 1.484,418 2.057,420 3.98,421 1.443,422 2.698,423 1.288,424 3.954,425 2.19,426 1.206,427 1.776,428 2.984,429 1.184,430 2.66,431 1.197,432 3.63,433 2.147,434 1.158,435 1.727,436 2.742,437 1.143,438 2.537,439 1.096,440 3.479,441 2.027,442 1.048,443 1.555,445 2.519,446 1.024,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 2.072,457 0.976,458 3.244,459 1.618,460 0.711,461 0.914,463 1.514,464 0.639,465 16.867,466 0.482,467 0.864,468 0.025,469 52.75,470 1.507,471 30.5,472 0.871,473 22.25,474 0.636,475 25.288,476 0.723,477 35.933,478 0.62,479 43.98,480 1.257,481 10.581,482 0.302,483 6.399,484 0.183,485 0.099,486 0.049,487 0.296,493 0.678,494 1.168,495 0.776,496 1.115,497 0.7,498 0.86,499 0.959,500 0.901,501 0.867,502 0.836,503 0.662,504 0.81,505 0.904,506 1.17,507 1.013,508 1.093,509 0.891,510 1.019,511 1.164,512 1.176,513 1.199,514 1.176,515 1.181,516 1.088,517 1.326,518 0.964,519 1.042,520 0.897,521 1.395,522 0.949,523 0.853,524 0.973,525 0.888,526 0.927,527 0.916,528 0.979,529 0.806,530 0.974,531 0.919,532 0.962,533 0.735,534 0.953,535 0.814,536 1.017,537 0.892,538 0.963,539 0.924,540 1.083,541 7.5,542 0.272,543 4.667,544 2.507,545 1.983,546 1.326,547 0.84,548 0.592,549 0.384,550 0.31,551 18850,552 54313,553 2.116,554 39.7,556 19,557 1,558 1,559 2,564 1.767,565 1.991,566 3.744,567 0.162,573 94.584,574 1.631,575 3.44,576 4.382,577 5.211,578 5.384,579 5.418,580 3.223,581 4.786,582 5.1,583 3.894,584 2316.79,585 8.953,586 36142.9,591 339.763,592 1.482,593 5.06,594 0.192,595 0.008,596 0.083,597 0.042,598 0.035,599 0.026,600 0.017,601 0.012,602 0.009,603 0.008,604 0.433,605 0.17,606 0.75,607 0.74,608 189.744,609 0.046,610 -0.088,611 0.185,612 -0.07,613 -0.164,614 0.03,615 0.085,616 0.137,617 0.028,618 0.125,619 0.201,620 0.08,621 -0.001,622 -0.147,623 -0.044,624 -0.084,625 0.001,626 -0.085,627 -0.149,628 -0.153,629 -0.166,630 -0.154,631 -0.05,632 -0.141,633 -0.209,634 0.019,635 -0.089,636 0.052,637 -0.154,638 0.015,639 -0.016,640 0.023,641 -0.001,642 0.002,643 -0.048,644 -0.004,645 0.035,646 0.01,647 0.033,648 0.009,649 0.022,650 0.043,651 0.063,652 -0.033,653 -0.042,654 -0.058,655 -0.005,656 -0.116,657 4.603,658 5.742,659 0.771,660 39.927,661 1.009,662 1.11,663 3.125,664 9.765,665 0.709,666 3.689,667 4.043,668 4.344,669 4.615,670 4.844,671 4.956,672 5.147,673 5.293,674 5.421,675 5.561,676 7.896,677 0.679,678 485.6,679 3.689,680 5.252,681 6.12,682 7.017,683 7.9,684 8.8,685 9.69,686 10.592,687 11.485,688 12.389,689 5.2,694 1,697 1,699 1,703 2,704 15,705 1,706 1,709 8,711 28,729 2,731 58,733 30,734 3,735 39,737 62,738 27,739 25,740 6,741 12,746 5,747 6,761 25,762 2,766 2,769 1,771 2,781 23,782 6,783 2,784 8,785 1,790 3,794 0.8,795 4,805 1,807 1,811 1,812 4,815 1,840 4,842 1,844 2,848 35,852 1,855 1,856 2,870 6.9,873 2,875 2,877 17.583,878 11.033,879 7.681,880 3.137,881 5.229,882 1.609,883 1.033,884 6.308,885 13.811,886 4.025,887 4.707,888 5.327,889 5.953,890 6.526,891 6.897,892 7.426,893 7.9,894 8.319,895 8.794,896 1,897 59,898 13.131,900 5.865,901 7.802,902 24.478,904 20.294,905 2.302,906 80.583,910 247.193,911 200.685,912 49.976,914 66.313,916 5.807,917 194.877,918 313.506,919 49.976,920 21.766,922 138.046,923 90.99,924 77.942,925 11.771,926 223.651,928 247.193,929 244.853,930 66.313,931 5.807,933 247.193,934 66.313,937 27.548,938 184.114,939 38.998,941 247.193,942 116.289,943 200.685,945 5.807,946 247.193,947 31.825,948 163.052,949 33.191,950 83.098,951 247.193,952 116.289,953 200.685,955 0.584,956 0.353,957 0.192,958 0.101,959 28,960 12,961 0.113,962 7,963 1,964 1.074,965 4.516,966 342.24,967 0.074,968 27,969 173.525,973 1,974 23.122,975 9.548,976 4.665,977 1.685,978 99.503,979 27.017,980 4.582,981 3.217,984 5.604,986 33.191,987 564.166,988 55,991 -3.686,993 25.485,999 58.527,1000 64.405,1001 0.278,1002 0.587,1003 0.748,1004 0.89,1005 0.919,1006 0.925,1007 5.263,1008 1.613,1009 6.133,1010 5.206,1011 4.727,1012 5.396,1013 1.376,1014 7,1015 4.648,1016 6.515,1017 1.515,1018 7.731,1019 4.517,1020 4.443,1021 5.4,1023 8.164,1024 4.299,1025 7.868,1026 1.484,1027 9.44,1028 4.133,1029 6.412,1030 7.751,1031 1.159,1032 11.223,1033 6.247,1034 9.265,1035 1.206,1036 11.217,1037 3.98,1038 6.967,1039 8.593,1041 13.213,1042 6.719,1043 10.698,1044 1.158,1045 13.039,1046 2.984,1047 8.424,1048 10.431,1049 0.963,1050 15.85,1051 8.155,1052 12.156,1053 1.048,1054 14.892,1055 2.742,1056 9.339,1057 11.644,1059 18.149,1060 8.985,1061 13.634,1062 1,1063 16.767,1064 2.519,1065 10.612,1066 13.288,1067 0.787,1068 20.672,1069 10.226,1070 3.391,1071 0.711,1072 18.66,1073 2.136,1074 11.682,1075 14.671,1077 23.09,1078 11.216,1079 3.197,1080 12.507,1081 20.566,1082 1.514,1083 12.892,1084 16.24,1085 0.634,1086 25.588,1087 12.381,1088 2.895,1089 11.005,1090 22.483,1091 4.704,1092 14.029,1093 17.701,1095 28.055,1096 13.444,1097 2.77,1098 9.254,1099 24.409,1100 4.57,1101 15.221,1102 19.242,1103 0.504,1104 30.552,1105 14.581,1106 2.356,1107 8.963,1108 26.342,1109 3.926,1110 16.388,1111 20.74,1113 33.042,1114 15.678,1115 2.213,1116 7.469,1117 28.282,1118 3.786,1119 17.578,1120 22.273,1121 0.395,1122 35.545,1123 16.806,1124 1.977,1125 6.801,1126 30.227,1127 3.176,1128 18.76,1129 23.788,1131 38.046,1132 17.919,1133 17694,1134 30220,1135 26.235,1136 41.097,1137 58.808,1138 60.082,1139 60.614,1140 58.668,1141 58.761,1142 82.238,1143 3.44,1144 174.515,1145 56.404,1146 5.682,1147 6.685,1148 7.11,1149 5.364,1150 5.391,1151 7.704,1152 1.72,1153 19.85,1154 5.15,1155 16.204,1156 1.508,1157 1.541,1158 1.554,1159 1.504,1160 1.507,1161 2.109,1162 0.088,1163 4.475,1164 1.446,1165 4.163,1166 4.19,1167 4.736,1168 4.1,1169 7.717,1170 4.084,1171 4.065,1172 4.051,1173 4.117,1174 4.029,1175 6.999,1176 3.968,1177 3.892,1178 3.91,1179 3.849,1180 3.835,1181 5.08,1182 3.831,1183 3.812,1184 3.84,1185 3.76,1186 3.71,1187 4.904,1188 3.719,1189 3.594,1190 3.58,1191 3.668,1192 3.521,1193 4.74,1194 3.445,1195 3.349,1196 3.391,1197 3.277,1198 3.224,1199 4.701,1200 3.226,1201 3.247,1202 3.314,1203 3.06,1204 2.968,1205 4.496,1206 2.978,1207 3.215,1208 3.286,1209 3.049,1210 2.945,1211 4.363,1212 2.954,1213 0.124,1214 0.12,1215 0.187,1216 0.111,1217 0.087,1218 4.855,1219 0.121,1220 4.685,1221 0.022,1222 7.308,1223 0.321,1224 4.31,1225 0.081,1226 3.391,1227 4.704,1228 0.86,1229 12.507,1230 3.15,1231 2.01,1232 2,1233 2.068,1234 2.085,1235 1.221,1236 2.101,1237 1.949,1238 1.947,1239 1.997,1240 2.019,1241 1.159,1242 2.038,1243 1.886,1244 1.869,1245 1.979,1246 1.979,1247 1.092,1248 1.979,1249 1.727,1250 1.696,1251 1.818,1252 1.868,1253 0.908,1254 1.86,1255 1.43,1256 1.451,1257 1.609,1258 1.657,1259 0.623,1260 1.648,1261 1.418,1262 1.379,1263 1.576,1264 1.565,1265 0.578,1266 1.608,1267 1.192,1268 1.116,1269 1.508,1270 1.523,1271 0.574,1272 1.539,1273 1.173,1274 1.099,1275 1.249,1276 1.451,1277 0.534,1278 1.478,1279 4.369,1281 5.714,1282 2.398,1283 7.261,1284 4.727,1285 8.893,1286 6.843,1287 10.568,1289 3.211,1296 2.657,1297 10.811,1305 39.378,1306 94.584,1307 199.544,1308 254.147,1309 302.253,1310 312.253,1311 314.253,1312 62.013,1313 8.581,1314 93.31,1315 101.69,1316 29,1317 12.91,1318 4.954,1319 4.087,1320 52.279,1321 166,1322 163,1323 0.152,1324 242.239,1325 411.71,1326 582.824,1327 73816,1329 24.416,1330 0.698,1331 0.57,1332 24.666,1333 19.965,1334 16.98,1335 0.435,1336 0.317,1337 10.831,1338 15.608,1339 10.405,1340 8.678,1341 17.801,1342 12.345,1343 15.468,1344 0.276,1345 0.171,1346 16.769,1347 9.574,1348 13.359,1349 0.176,1350 0.094,1351 14.464,1352 7.124,1353 11.349,1354 0.113,1355 0.051,1356 12.39,1357 5.05,1358 9.067,1359 0.072,1360 0.027,1361 9.92,1362 3.429,1363 0.242,1364 114.61,1365 0.195,1366 32.241,1367 0.411,1368 190,1369 572.113,1370 242.162,1371 574.019,1372 790.6,1373 534,1374 227,1375 560.631,1376 288.149,1377 610.599,1378 889.62,1379 570,1380 5.717}
{0 CHEMBL1289537,1 1.619,2 10.214,3 3.663,4 13.415,5 109.179,6 7.843,7 0.71,8 3.999,9 4.122,10 3.605,11 3.496,12 5.177,13 3.506,14 4.475,15 4.637,16 3.926,17 3.855,18 5.623,19 3.845,20 4.653,21 4.853,22 3.907,23 3.939,24 5.731,25 3.894,26 4.686,27 4.922,28 3.847,29 3.886,30 5.706,31 3.826,32 4.615,33 4.843,34 3.847,35 3.837,36 5.715,37 3.793,38 4.59,39 4.8,40 3.857,41 3.857,42 5.647,43 3.821,44 4.645,45 4.861,46 3.884,47 3.891,48 5.763,49 3.841,50 4.665,51 4.878,52 3.768,53 3.914,54 5.663,55 3.835,56 0.109,57 0.762,58 9.22,59 3.83,60 11.3,61 4.837,62 0.307,63 1.158,64 16.717,65 6.257,66 24.821,67 8.056,68 0.352,69 1.316,70 21.327,71 7.189,72 33.252,73 9.942,74 0.348,75 1.314,76 23.577,77 7.605,78 34.535,79 11.017,80 0.481,81 1.245,82 21.677,83 6.569,84 41.95,85 9.558,86 0.271,87 1.24,88 20.174,89 6.529,90 26.434,91 9.247,92 0.497,93 1.276,94 21.795,95 7.073,96 42.101,97 10.055,98 0.313,99 1.238,100 22.447,101 8.169,102 33.248,103 11.074,104 9,105 42,106 0.272,107 0.662,108 0.823,109 0.907,110 0.907,111 0.907,112 3.375,113 0.854,114 -3.69,115 -3.66,116 -3.48,119 41.7,124 1,125 2,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 1,175 4,178 3,180 7,183 7,187 4,190 1,192 6,195 6,199 5,202 1,203 1,204 4,207 3,211 2,212 5,215 2,216 1,217 5,220 3,224 3,229 4,232 2,236 1,237 6,240 3,241 2,242 5,245 6,250 2,258 6,262 1,263 4,266 2,267 1,268 3,271 4,275 1334,276 19.334,277 19.334,278 19.334,279 19.334,280 19.334,281 16.788,282 21.016,283 11.785,284 19.883,285 15.357,286 15.357,287 15.357,288 15.357,289 15.357,290 11.504,291 34.695,292 5.657,293 16.178,294 3.966,295 1.644,296 0.682,297 0.182,298 0.182,299 0.182,300 4.076,303 1,304 1,305 1,306 622,307 3,310 69.674,311 255.278,314 118.556,318 1.515,319 22.855,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 61,331 286,332 4.432,333 3.061,334 6.233,335 3.961,336 2.994,337 4.367,338 0.86,339 9.461,340 2.903,341 4.344,342 2.947,343 6.193,344 3.905,345 2.926,346 4.028,347 0.4,348 9.256,349 2.861,350 3.971,351 2.73,352 5.61,353 3.539,354 2.591,355 3.543,356 0.4,357 7.73,358 2.448,359 3.669,360 2.504,361 5.291,362 3.268,363 2.325,364 3.075,366 6.818,367 2.193,368 3.471,369 2.361,370 5.001,371 3.087,372 2.143,373 2.786,375 5.932,376 2.013,377 3.266,378 2.163,379 4.848,380 2.851,381 1.901,382 2.53,384 5.523,385 1.8,386 3.034,387 1.97,388 4.362,389 2.517,390 1.578,391 2.301,393 4.204,394 1.507,395 2.813,396 1.534,397 4.166,398 2.473,399 1.534,400 1.948,402 3.632,403 1.406,404 2.63,405 1.438,406 3.603,407 2.316,408 1.349,409 1.647,411 3.046,412 1.298,413 2.586,414 1.165,415 3.471,416 2.07,417 1.102,418 1.621,420 2.503,421 1.065,422 2.54,423 1.104,424 3.45,425 2.034,426 1.055,427 1.558,428 2.446,429 1.031,430 1.956,431 1.034,432 3.1,433 1.579,434 0.714,435 0.754,436 1.246,437 0.615,438 1.787,439 0.525,440 2.908,441 1.449,442 0.488,443 0.705,445 1.181,446 0.467,447 1.264,448 0.207,449 2.881,450 0.893,451 -0.051,452 -0.066,454 -0.149,455 -0.048,456 1,457 0.075,458 2.632,459 0.694,460 -0.214,461 -0.235,463 -0.386,464 -0.193,465 13.067,466 0.467,467 0.55,468 0.02,469 40.25,470 1.438,471 21.5,472 0.768,473 18.75,474 0.67,475 18.992,476 0.678,477 29.533,478 0.615,479 29.896,480 1.068,481 8.235,482 0.294,483 5.473,484 0.195,485 0.064,487 0.306,493 0.986,494 1.242,495 0.773,496 1.004,497 0.97,498 0.873,499 1.085,500 1.057,501 0.89,502 0.945,503 0.764,504 0.903,505 1.06,506 1.177,507 1.046,508 1.033,509 1.055,510 1.031,511 0.86,512 1.102,513 0.915,514 0.987,515 0.847,516 0.957,517 0.844,518 0.927,519 0.943,520 0.843,521 0.817,522 0.883,523 1.023,524 1.203,525 0.975,526 1.02,527 0.927,528 0.976,529 0.781,530 0.92,531 0.988,532 0.949,533 0.734,534 0.982,535 1.062,536 1.035,537 1.095,538 1.116,539 1.052,540 1.115,541 5.5,542 0.142,543 2,544 1.569,545 1.204,546 0.712,547 0.554,548 0.342,549 0.291,550 0.2,551 9948,552 27940,553 2.137,554 41.7,556 15,558 1,559 4,564 1.716,565 2.049,566 3.353,567 1.698,569 1,573 77.691,574 1.619,575 3.94,576 4.903,577 5.403,578 5.403,579 5.403,580 2.751,581 4.593,582 4.776,583 3.526,584 1332.66,585 8.336,586 17930.5,588 1,590 1,591 268.078,592 1.198,593 4.76,594 0.177,595 0.006,596 0.048,597 0.039,598 0.033,599 0.019,600 0.015,601 0.009,602 0.009,603 0.006,604 0.361,605 0.17,606 1,607 1.13,608 140.352,609 -0.089,610 -0.058,611 0.031,612 0.008,613 -0.136,614 0.036,615 -0.055,616 0.05,617 -0.007,618 0.043,619 0.025,620 0.018,621 -0.137,622 -0.119,623 -0.125,624 -0.061,625 -0.139,626 -0.085,627 -0.027,628 -0.1,629 0.055,630 -0.023,631 -0.015,632 0.022,633 0.083,634 0.128,635 0.022,636 0.088,637 0.069,638 0.054,639 -0.151,640 -0.14,641 -0.045,642 -0.063,643 -0.089,644 -0.032,645 0.149,646 0.136,647 -0.041,648 0.001,649 0.133,650 -0.041,651 -0.147,652 -0.06,653 -0.148,654 -0.099,655 -0.15,656 -0.117,657 1.482,658 3.802,659 0.75,660 27.571,661 1.009,662 1.132,663 2.464,664 6.072,665 0.672,666 3.466,667 3.761,668 4.007,669 4.29,670 4.5,671 4.585,672 4.745,673 4.875,674 4.956,675 5.043,676 6.469,677 0.651,678 376.46,679 3.466,680 4.99,681 5.826,682 6.693,683 7.547,684 8.422,685 9.284,686 10.162,687 11.029,688 11.908,689 12.5,694 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 2,728 1,731 48,733 22,734 2,735 31,737 51,738 20,739 17,740 5,741 7,746 4,747 5,761 17,762 3,778 1,781 20,782 7,783 4,784 8,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 1,848 28,853 1,854 2,855 2,856 1,870 4.2,872 1,874 1,877 13.667,878 8.717,879 6.222,880 2.617,881 4.009,882 1.529,883 0.992,884 5.485,885 11.584,886 3.761,887 4.385,888 4.99,889 5.618,890 6.151,891 6.446,892 6.886,893 7.31,894 7.584,895 7.974,896 0.857,897 40,898 10.263,900 4.29,901 7.726,902 19.473,904 15.56,905 2.226,906 62.333,909 1,910 188.338,911 120.082,912 102.919,914 53.683,917 120.082,918 242.021,919 102.919,920 10.883,921 6.698,922 75.81,923 133.699,924 54.993,925 6.371,926 176.567,928 188.338,929 223,930 53.683,933 188.338,934 42.683,935 11,937 55.075,938 99.68,939 68.245,941 188.338,942 156.602,943 120.082,946 188.338,947 24.341,948 95.74,949 52.685,950 103.917,951 188.338,952 156.602,953 120.082,955 0.567,956 0.32,957 0.178,958 0.098,959 20,960 8,961 0.137,962 7,963 1,964 1.095,965 4.057,966 241.265,967 0.095,968 21,969 134.606,974 18.38,975 8.356,976 4.48,977 1.973,978 139.939,979 16.491,980 13.141,981 2.935,984 3.673,986 95.368,987 465.021,988 42,999 48.451,1000 54.315,1001 0.29,1002 0.706,1003 0.878,1004 0.967,1005 0.967,1006 0.967,1007 4.966,1008 1.534,1009 5.784,1010 4.204,1011 4.443,1012 5.072,1013 1.138,1014 6.547,1015 4.352,1016 6.168,1017 1.349,1018 7.302,1019 3.632,1020 3.892,1021 4.808,1023 7.286,1024 3.767,1025 7.464,1026 1.102,1027 8.915,1028 3.046,1029 5.984,1030 7.306,1031 0.787,1032 10.381,1033 5.822,1034 8.797,1035 1.055,1036 10.584,1037 2.503,1038 6.256,1039 7.886,1041 11.943,1042 6.066,1043 10.162,1044 0.714,1045 12.289,1046 2.446,1047 7.784,1048 9.821,1049 0.602,1050 14.516,1051 7.564,1052 11.548,1053 0.488,1054 14.02,1055 1.246,1056 8.459,1057 10.82,1059 16.439,1060 8.216,1061 12.952,1062 -0.051,1063 15.768,1064 1.181,1065 9.737,1066 12.5,1067 0.471,1068 18.81,1069 9.467,1070 2.994,1071 -0.214,1072 17.53,1073 -0.149,1074 10.617,1075 13.718,1077 20.901,1078 10.323,1079 2.926,1080 9.461,1081 19.303,1082 -0.386,1083 11.781,1084 15.276,1085 0.367,1086 23.189,1087 11.464,1088 2.591,1089 9.256,1090 21.084,1091 4.367,1092 12.763,1093 16.608,1095 25.357,1096 12.421,1097 2.325,1098 7.73,1099 22.872,1100 4.028,1101 13.878,1102 18.11,1103 0.283,1104 27.612,1105 13.512,1106 2.143,1107 6.818,1108 24.666,1109 3.543,1110 14.91,1111 19.501,1113 29.815,1114 14.519,1115 1.901,1116 5.932,1117 26.464,1118 3.075,1119 16.004,1120 20.977,1121 0.217,1122 32.058,1123 15.589,1124 1.578,1125 5.523,1126 28.266,1127 2.786,1128 17.061,1129 22.4,1131 34.279,1132 16.621,1133 9436,1134 15939,1135 21.266,1136 32.273,1137 45.773,1138 45.71,1139 46.362,1140 45.438,1141 45.403,1142 61.729,1143 3.32,1144 125.956,1145 43.21,1146 5.279,1147 5.061,1148 6.143,1149 5.039,1150 4.994,1151 7.367,1152 1.72,1153 15.844,1154 4.903,1155 10.14,1156 1.477,1157 1.475,1158 1.496,1159 1.466,1160 1.465,1161 1.991,1162 0.107,1163 4.063,1164 1.394,1165 4.105,1166 4.148,1167 4.066,1168 3.994,1169 6.471,1170 4.006,1171 3.971,1172 4.006,1173 3.932,1174 3.883,1175 5.107,1176 3.889,1177 3.748,1178 3.797,1179 3.695,1180 3.579,1181 4.993,1182 3.604,1183 3.562,1184 3.621,1185 3.425,1186 3.332,1187 4.634,1188 3.343,1189 3.373,1190 3.442,1191 3.299,1192 3.171,1193 4.584,1194 3.194,1195 3.167,1196 3.254,1197 2.986,1198 2.891,1199 4.434,1200 2.897,1201 2.989,1202 3.049,1203 2.893,1204 2.849,1205 4.044,1206 2.849,1207 2.938,1208 2.978,1209 2.812,1210 2.747,1211 3.946,1212 2.756,1213 0.143,1214 0.099,1215 0.201,1216 0.128,1217 0.097,1218 4.432,1219 0.141,1220 3.061,1221 0.028,1222 6.233,1223 0.305,1224 3.961,1225 0.094,1226 2.994,1227 4.367,1228 0.86,1229 9.461,1230 2.903,1231 1.958,1232 1.931,1233 2.037,1234 2.073,1235 1.156,1236 2.061,1237 1.911,1238 1.889,1239 2,1240 1.999,1241 1.104,1242 2,1243 1.669,1244 1.62,1245 1.826,1246 1.872,1247 1.031,1248 1.861,1249 1.492,1250 1.434,1251 1.693,1252 1.738,1253 0.735,1254 1.729,1255 1.31,1256 1.229,1257 1.525,1258 1.637,1259 0.564,1260 1.59,1261 1.142,1262 1.053,1263 1.464,1264 1.453,1265 0.407,1266 1.477,1267 1.063,1268 1.006,1269 1.222,1270 1.269,1271 0.303,1272 1.262,1273 0.883,1274 0.84,1275 1.141,1276 1.144,1277 0.191,1278 1.132,1279 4.143,1281 5.442,1282 2.398,1283 6.93,1284 4.595,1285 8.511,1286 6.581,1287 10.141,1289 1.644,1294 9.802,1295 1.125,1296 6.472,1297 5.078,1305 31.246,1306 77.691,1307 189.143,1308 235.323,1309 259.323,1310 259.323,1311 259.323,1312 36.783,1313 7.575,1314 107.98,1315 107.98,1316 23,1317 12.447,1318 4.524,1319 3.585,1320 42.175,1321 106,1322 120,1323 0.189,1324 192.528,1325 318.7,1326 461.528,1327 19922,1329 19.347,1330 0.691,1331 0.547,1332 19.347,1333 15.307,1334 13.708,1335 0.442,1336 0.285,1337 8.664,1338 13.074,1339 8.486,1340 7.061,1341 13.708,1342 8.826,1343 12.093,1344 0.288,1345 0.148,1346 12.093,1347 6.229,1348 9.863,1349 0.183,1350 0.077,1351 9.863,1352 4.17,1353 8.507,1354 0.118,1355 0.039,1356 8.507,1357 2.837,1358 6.728,1359 0.076,1360 0.02,1361 6.728,1362 1.823,1363 0.293,1364 86.664,1365 0.217,1366 26.714,1367 0.526,1368 146,1369 439.819,1370 161.53,1371 427.915,1372 590.5,1373 402,1374 169,1375 440.434,1376 184.117,1377 448.434,1378 648.38,1379 420,1380 4.824}
{0 CHEMBL1289538,1 1.571,2 9.871,3 4.59,4 21.065,5 120.281,6 7.573,7 0.629,8 4.132,9 4.255,10 3.72,11 3.645,12 5.241,13 3.642,14 4.659,15 4.828,16 4.101,17 4.037,18 5.739,19 4.022,20 4.914,21 5.113,22 4.097,23 4.158,24 5.925,25 4.106,26 4.947,27 5.2,28 4.035,29 4.135,30 5.884,31 4.059,32 4.872,33 5.098,34 4.048,35 4.109,36 5.907,37 4.038,38 4.912,39 5.161,40 4.037,41 4.117,42 5.865,43 4.057,44 4.849,45 5.05,46 4.109,47 4.173,48 5.886,49 4.107,50 4.958,51 5.169,52 4.037,53 4.247,54 5.908,55 4.153,56 0.08,57 0.867,58 11.181,59 4.657,60 12.066,61 6.078,62 0.251,63 1.381,64 20.942,65 7.786,66 25.261,67 10.425,68 0.467,69 1.639,70 29.43,71 9.617,72 42.542,73 13.153,74 0.41,75 1.703,76 31.732,77 9.827,78 42.62,79 14.696,80 0.435,81 1.612,82 28.198,83 9.421,84 44.904,85 13.797,86 0.419,87 1.646,88 30.658,89 8.985,90 41.979,91 13.433,92 0.424,93 1.594,94 26.476,95 9.883,96 37.203,97 13.913,98 0.308,99 1.693,100 30.196,101 11.42,102 36.292,103 15.706,104 10,105 50,106 0.256,107 0.63,108 0.779,109 0.85,110 0.85,111 0.85,112 3.473,113 0.885,114 -4.35,115 -4.28,116 -4.04,119 41.8,120 2,125 2,127 2,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 6,178 1,180 7,183 7,186 1,187 6,192 6,195 6,199 7,202 2,204 2,207 4,211 2,212 11,215 2,216 1,217 3,220 3,224 6,229 1,232 2,236 1,237 9,240 4,241 1,242 4,245 10,250 2,258 10,262 2,263 4,266 2,268 3,271 10,275 1638,276 21.013,277 21.013,278 21.013,279 21.013,280 21.013,281 18.492,282 24.255,283 12.317,284 21.544,285 17.363,286 17.363,287 17.363,288 17.363,289 17.363,290 13.54,291 40.271,292 5.961,293 18.273,294 4.211,295 1.919,296 1.009,297 0.573,298 0.573,299 0.573,300 4.182,304 1,305 1,306 678,307 2.55,310 76.617,311 371.768,314 129.961,318 1.448,319 25.323,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 67,331 306,332 4.434,333 3.277,334 6.336,335 4,336 3.057,337 4.367,338 0.86,339 9.8,340 2.913,341 4.371,342 3.021,343 6.195,344 3.917,345 2.939,346 4.044,347 0.8,348 9.265,349 2.87,350 4.043,351 2.94,352 6.072,353 3.753,354 2.806,355 3.572,356 0.4,357 8.876,358 2.631,359 3.796,360 2.754,361 5.532,362 3.486,363 2.543,364 3.102,366 7.522,367 2.391,368 3.626,369 2.595,370 5.285,371 3.257,372 2.322,373 2.925,375 6.741,376 2.174,377 3.431,378 2.401,379 5.066,380 3.112,381 2.174,382 2.677,384 6.105,385 2.022,386 3.276,387 2.093,388 4.913,389 2.881,390 1.929,391 2.439,393 5.66,394 1.827,395 3.034,396 2.043,397 4.618,398 2.839,399 1.879,400 2.301,402 4.963,403 1.794,404 2.879,405 1.534,406 4.366,407 2.517,408 1.534,409 1.955,411 4.21,412 1.507,413 2.819,414 1.521,415 4.269,416 2.344,417 1.388,418 1.879,420 3.867,421 1.323,422 2.594,423 1.341,424 4.072,425 2.138,426 1.199,427 1.638,428 3.297,429 1.122,430 2.562,431 1.11,432 3.471,433 2.057,434 1.095,435 1.59,436 2.496,437 1.05,438 2.377,439 1.044,440 3.45,441 1.99,442 1.024,443 1.354,445 2.446,446 0.985,447 1.956,448 0.524,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.264,457 0.075,458 2.906,459 0.892,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 14.567,466 0.47,467 0.814,468 0.026,469 42.5,470 1.371,471 21.5,472 0.694,473 21,474 0.677,475 25.852,476 0.834,477 32.833,478 0.597,479 32.222,480 1.039,481 8.214,482 0.265,483 6.816,484 0.22,485 0.092,487 0.371,493 0.937,494 1.293,495 0.779,496 1.052,497 0.97,498 0.916,499 1,500 1.111,501 0.833,502 1.008,503 0.646,504 0.912,505 1.472,506 1.178,507 1.132,508 1.011,509 1.147,510 1.028,511 0.889,512 0.989,513 0.941,514 0.885,515 0.818,516 0.897,517 0.715,518 1.138,519 0.957,520 1.053,521 0.717,522 1.038,523 1.098,524 0.886,525 0.955,526 0.748,527 0.977,528 0.788,529 0.607,530 1.034,531 0.929,532 1.066,533 0.568,534 1.049,535 0.988,536 1.019,537 1.14,538 1.149,539 0.958,540 1.163,541 7.5,542 0.191,543 2.667,544 2.007,545 1.737,546 0.872,547 0.701,548 0.486,549 0.435,550 0.341,551 12994,552 32946,553 2.16,554 43.6,556 14,558 1,559 3,561 6,564 1.744,565 2.044,566 3.291,567 0.876,573 86.384,574 1.571,575 3.862,576 4.772,577 5.208,578 5.208,579 5.208,580 2.638,581 4.632,582 4.926,583 3.495,584 1625.25,585 8.646,586 23163.6,588 1,591 317.975,592 1.332,593 4.896,594 0.214,595 0.006,596 0.053,597 0.042,598 0.039,599 0.019,600 0.015,601 0.01,602 0.01,603 0.008,604 0.416,605 0.17,606 0.88,607 0.486,608 159.113,609 -0.042,610 -0.104,611 0.055,612 -0.02,613 -0.127,614 0.022,615 0.028,616 0.006,617 0.074,618 -0.015,619 0.124,620 0.025,621 -0.226,622 -0.149,623 -0.162,624 -0.04,625 -0.167,626 -0.091,627 -0.059,628 0.036,629 0.04,630 0.06,631 -0.013,632 0.069,633 0.132,634 -0.091,635 -0.006,636 -0.088,637 0.114,638 -0.076,639 -0.179,640 0.159,641 0.031,642 0.182,643 -0.124,644 0.16,645 0.208,646 0.027,647 -0.013,648 -0.062,649 0.184,650 -0.072,651 -0.146,652 -0.009,653 -0.213,654 -0.127,655 -0.146,656 -0.166,657 1.466,658 3.952,659 0.871,660 29.446,661 1.004,662 1.13,663 3.121,664 9.739,665 0.669,666 3.584,667 3.932,668 4.19,669 4.5,670 4.727,671 4.82,672 5.011,673 5.159,674 5.318,675 5.434,676 6.504,677 0.642,678 416.53,679 3.584,680 5.142,681 5.994,682 6.882,683 7.748,684 8.638,685 9.511,686 10.401,687 11.277,688 12.168,689 10.9,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,728 1,731 55,733 22,734 2,735 35,737 59,738 23,739 17,740 5,741 7,746 5,747 6,752 2,755 2,758 2,761 17,762 6,778 1,781 24,782 7,783 3,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 31,853 1,854 2,855 1,856 1,858 2,859 1,870 3.6,872 1,874 1,877 15.167,878 10.333,879 6.583,880 3.29,881 3.778,882 1.473,883 1.001,884 5.321,885 11.766,886 3.85,887 4.48,888 5.068,889 5.69,890 6.224,891 6.531,892 6.994,893 7.423,894 7.737,895 8.14,896 1,897 48,898 11.433,900 4.918,901 7.645,902 21.987,904 18.34,905 2.145,906 66.5,909 1,910 247.193,911 124.362,912 88.032,914 53.683,917 124.362,918 300.876,919 88.032,920 17.65,921 4.211,922 75.81,923 115.688,924 58.118,925 6.371,926 235.422,928 247.193,929 212.395,930 53.683,933 176.567,934 113.31,935 11,937 70.239,938 91.922,939 50.234,941 247.193,942 141.715,943 124.362,946 247.193,947 21.855,948 105.632,949 34.674,950 103.917,951 247.193,952 141.715,953 124.362,955 0.588,956 0.333,957 0.188,958 0.102,959 26,960 11,961 0.068,962 4,963 1,964 1.074,965 4.228,966 293.896,967 0.074,968 27,969 147.58,974 19.946,975 8.27,976 4.395,977 1.994,978 125.052,979 16.764,980 13.693,981 2.961,984 3.981,986 77.357,987 513.271,988 46,999 55.218,1000 62.145,1001 0.272,1002 0.668,1003 0.825,1004 0.901,1005 0.901,1006 0.901,1007 5.097,1008 1.879,1009 5.984,1010 5.66,1011 4.615,1012 5.168,1013 1.324,1014 6.781,1015 4.516,1016 6.305,1017 1.534,1018 7.528,1019 4.963,1020 4.205,1021 4.945,1022 0.325,1023 7.573,1024 4.047,1025 7.607,1026 1.388,1027 9.162,1028 4.21,1029 6.201,1030 7.371,1031 0.958,1032 10.665,1033 6.006,1034 8.939,1035 1.199,1036 10.847,1037 3.867,1038 6.553,1039 7.959,1040 0.268,1041 12.245,1042 6.302,1043 10.301,1044 1.095,1045 12.565,1046 3.297,1047 8.034,1048 9.865,1049 0.736,1050 14.834,1051 7.751,1052 11.683,1053 1.024,1054 14.305,1055 2.496,1056 8.755,1057 10.865,1058 0.188,1059 16.772,1060 8.422,1061 13.082,1062 0.488,1063 16.063,1064 2.446,1065 10.013,1066 12.533,1067 0.57,1068 19.161,1069 9.647,1070 3.057,1071 -0.051,1072 17.833,1073 1.187,1074 10.92,1075 13.75,1076 0.125,1077 21.266,1078 10.509,1079 2.939,1080 9.8,1081 19.613,1082 -0.149,1083 12.078,1084 15.303,1085 0.439,1086 23.572,1087 11.633,1088 2.806,1089 9.265,1090 21.402,1091 4.367,1092 13.077,1093 16.634,1094 0.082,1095 25.756,1096 12.59,1097 2.543,1098 8.876,1099 23.198,1100 4.044,1101 14.194,1102 18.132,1103 0.334,1104 28.029,1105 13.671,1106 2.322,1107 7.522,1108 24.999,1109 3.572,1110 15.239,1111 19.523,1112 0.054,1113 30.25,1114 14.675,1115 2.174,1116 6.741,1117 26.805,1118 3.102,1119 16.339,1120 20.997,1121 0.252,1122 32.511,1123 15.738,1124 1.929,1125 6.105,1126 28.614,1127 2.925,1128 17.407,1129 22.42,1130 0.035,1131 34.751,1132 16.767,1133 12011,1134 19287,1135 23.868,1136 36.796,1137 53.594,1138 52.734,1139 53.585,1140 52.839,1141 52.757,1142 69.1,1143 4.12,1144 152.867,1145 50.157,1146 5.434,1147 5.277,1148 5.888,1149 5.107,1150 5.057,1151 7.367,1152 1.72,1153 16.375,1154 4.913,1155 12.809,1156 1.531,1157 1.507,1158 1.531,1159 1.51,1160 1.507,1161 1.974,1162 0.118,1163 4.368,1164 1.433,1165 4.107,1166 4.151,1167 4.069,1168 3.996,1169 6.471,1170 4.007,1171 3.984,1172 4.023,1173 3.944,1174 3.887,1175 5.106,1176 3.893,1177 3.834,1178 3.875,1179 3.752,1180 3.662,1181 4.983,1182 3.679,1183 3.677,1184 3.725,1185 3.604,1186 3.51,1187 4.641,1188 3.527,1189 3.375,1190 3.452,1191 3.308,1192 3.217,1193 4.579,1194 3.198,1195 3.367,1196 3.446,1197 3.151,1198 3.174,1199 4.423,1200 3.19,1201 3.109,1202 3.197,1203 2.969,1204 2.887,1205 3.978,1206 2.894,1207 2.989,1208 3.048,1209 2.893,1210 2.849,1211 3.903,1212 2.849,1213 0.127,1214 0.094,1215 0.181,1216 0.114,1217 0.087,1218 4.434,1219 0.125,1220 3.277,1221 0.025,1222 6.336,1223 0.28,1224 4,1225 0.083,1226 3.057,1227 4.367,1228 0.86,1229 9.8,1230 2.913,1231 1.96,1232 1.933,1233 2.041,1234 2.087,1235 1.26,1236 2.072,1237 1.912,1238 1.89,1239 2.002,1240 2.008,1241 1.155,1242 2.007,1243 1.779,1244 1.73,1245 1.97,1246 1.968,1247 1.099,1248 1.97,1249 1.6,1250 1.558,1251 1.733,1252 1.783,1253 0.97,1254 1.765,1255 1.405,1256 1.325,1257 1.708,1258 1.637,1259 0.747,1260 1.655,1261 1.31,1262 1.229,1263 1.464,1264 1.606,1265 0.581,1266 1.59,1267 1.109,1268 1.032,1269 1.438,1270 1.377,1271 0.407,1272 1.399,1273 1.049,1274 0.981,1275 1.218,1276 1.254,1277 0.398,1278 1.251,1279 4.263,1281 5.602,1282 2.398,1283 7.124,1284 4.595,1285 8.731,1286 6.581,1287 10.383,1289 4.113,1294 9.952,1295 1.433,1296 3.399,1297 5.873,1299 0.188,1300 2.148,1305 35.299,1306 86.384,1307 212.426,1308 262.465,1309 286.465,1310 286.465,1311 286.465,1312 43.272,1313 7.988,1314 99.19,1315 99.19,1316 29,1317 12.699,1318 4.524,1319 3.585,1320 43.266,1321 120,1322 112,1323 0.173,1324 213.912,1325 358.24,1326 513.704,1327 31954,1329 21.372,1330 0.689,1331 0.562,1332 21.372,1333 17.409,1334 15.03,1335 0.429,1336 0.295,1337 10.17,1338 14.403,1339 9.911,1340 8.205,1341 15.03,1342 10.324,1343 14.169,1344 0.283,1345 0.159,1346 14.169,1347 7.948,1348 11.468,1349 0.176,1350 0.081,1351 11.468,1352 5.271,1353 10.285,1354 0.116,1355 0.045,1356 10.285,1357 3.963,1358 8.135,1359 0.073,1360 0.022,1361 8.135,1362 2.502,1363 0.266,1364 94.328,1365 0.205,1366 28.762,1367 0.49,1368 170,1369 469.131,1370 188.217,1371 456.87,1372 640.26,1373 430,1374 200,1375 492.288,1376 218.333,1377 496.402,1378 725.58,1379 468,1380 4.959}
{0 CHEMBL1289926,1 1.585,2 12.286,3 4.493,4 20.186,5 114.788,6 8.402,7 0.71,8 3.933,9 4.041,10 3.653,11 3.596,12 5.11,13 3.55,14 4.385,15 4.525,16 4.009,17 3.968,18 5.533,19 3.895,20 4.58,21 4.752,22 4.064,23 4.071,24 5.68,25 3.961,26 4.574,27 4.747,28 4.008,29 3.986,30 5.713,31 3.882,32 4.522,33 4.712,34 3.866,35 3.941,36 5.584,37 3.83,38 4.549,39 4.75,40 3.804,41 3.926,42 5.609,43 3.818,44 4.533,45 4.753,46 3.746,47 3.841,48 5.597,49 3.752,50 4.411,51 4.634,52 3.583,53 3.705,54 5.489,55 3.601,56 0.044,57 0.663,58 7.861,59 3.899,60 7.206,61 4.667,62 0.109,63 1.04,64 14.352,65 6.503,66 16.07,67 7.766,68 0.116,69 1.248,70 23.017,71 9.306,72 23.968,73 10.629,74 0.237,75 1.254,76 24.376,77 8.717,78 35.504,79 9.532,80 0.169,81 1.163,82 21.084,83 8.362,84 26.663,85 10.076,86 0.138,87 1.195,88 22.736,89 8.907,90 26.506,91 10.807,92 0.162,93 1.168,94 20.446,95 7.871,96 30.645,97 9.879,98 0.226,99 1.051,100 18.187,101 6.853,102 31.972,103 8.636,104 7,105 42,106 0.266,107 0.591,108 0.757,109 0.886,110 0.91,111 0.91,112 3.374,113 0.931,114 -4.38,115 -4.31,116 -4.07,119 47.8,124 1,135 2,142 10,143 2,144 2,145 1,146 2,152 1,158 1,168 1,172 9,175 6,178 1,180 3,183 14,187 5,192 4,195 10,199 6,204 4,207 11,212 2,215 1,217 3,220 10,223 1,224 6,229 3,232 9,237 6,242 4,245 8,249 1,250 3,253 1,255 3,258 6,263 1,266 1,267 1,268 1,271 7,275 1178,276 19.438,277 19.438,278 19.438,279 19.438,280 19.438,281 16.609,282 7.851,283 11.647,284 19.808,285 15.264,286 15.264,287 15.264,288 15.264,289 15.264,290 10.964,291 5.913,292 5.468,293 15.815,294 3.938,295 2.002,296 1.016,297 0.25,298 0.103,299 0.103,300 4.076,304 1,305 1,306 746,307 3.24,310 63.273,311 256.996,314 111.673,318 2.265,319 17.309,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 59,331 344,332 4.558,333 4.574,334 6.542,335 4.073,336 3.099,337 4.514,338 2.95,339 10.339,340 3.022,341 4.339,342 3.57,343 6.453,344 3.958,345 2.983,346 3.946,347 1.058,348 9.959,349 2.909,350 3.95,351 3.158,352 5.473,353 3.497,354 2.529,355 3.516,357 7.261,358 2.446,359 3.75,360 2.951,361 5.34,362 3.322,363 2.391,364 3.191,366 6.948,367 2.203,368 3.413,369 2.514,370 5.075,371 2.987,372 2.009,373 2.665,375 5.806,376 1.949,377 3.249,378 1.95,379 4.823,380 2.759,381 1.796,382 2.538,384 5.113,385 1.717,386 3.003,387 1.832,388 4.209,389 2.495,390 1.508,391 2.214,393 3.78,394 1.488,395 2.901,396 1.509,397 3.877,398 2.422,399 1.451,400 2.071,402 3.193,403 1.397,404 2.805,405 1.441,406 3.634,407 2.324,408 1.348,409 1.936,411 3.112,412 1.309,413 2.578,414 1.318,415 3.574,416 2.115,417 1.127,418 1.571,420 2.6,421 1.109,422 2.5,423 1.087,424 3.271,425 1.959,426 1,427 1.5,428 2.136,429 0.956,430 2.379,431 1,432 3.247,433 1.761,434 0.775,435 1.189,436 1.809,437 0.763,438 2.025,439 0.825,440 3.073,441 1.439,442 0.47,443 0.712,445 1.123,446 0.452,447 1.491,448 0.772,449 2.904,450 1.222,451 0.264,452 0.308,454 0.431,455 0.248,456 1.36,457 0.554,458 2.467,459 0.925,465 13.767,466 0.492,467 0.516,468 0.018,469 40.75,470 1.455,471 23.5,472 0.839,473 17.25,474 0.616,475 19.057,476 0.681,477 27.633,478 0.601,479 29.3,480 1.046,481 8.308,482 0.297,483 5.433,484 0.194,485 0.061,487 0.291,493 0.701,494 0.947,495 0.711,496 0.794,497 0.605,498 0.785,499 0.78,500 1.016,501 0.846,502 0.875,503 0.654,504 0.878,505 0.986,506 1.052,507 1.185,508 1.11,509 0.91,510 0.971,511 1.434,512 1.148,513 1.327,514 1.247,515 1.576,516 1.084,517 0.966,518 1.005,519 1.076,520 1.072,521 1.032,522 1.033,523 0.836,524 1.124,525 1.134,526 1.167,527 0.77,528 1.067,529 1.14,530 1.06,531 0.859,532 0.893,533 1.043,534 0.942,535 1.026,536 0.963,537 0.953,538 0.92,539 0.935,540 1.012,541 4.5,542 0.082,543 2.889,544 1.667,545 1.067,546 0.761,547 0.515,548 0.327,549 0.271,550 0.158,551 10784,552 29751,553 2.137,554 39.1,556 15,558 1,559 2,564 1.707,565 2.049,566 3.561,567 0.212,569 1,573 72.918,574 1.585,575 3.522,576 4.508,577 5.273,578 5.42,579 5.42,580 3.067,581 4.084,582 4.775,583 3.752,584 1418.13,585 8.285,586 19263.3,588 1,590 1,591 254.084,592 1.198,593 4.76,594 0.145,595 0.005,596 0.069,597 0.04,598 0.029,599 0.022,600 0.015,601 0.01,602 0.01,603 0.008,604 0.352,605 0.17,606 1,607 0.787,608 142.529,609 0.024,610 0.09,611 0.053,612 0.077,613 -0.061,614 0.052,615 0.034,616 0.019,617 0.048,618 0.062,619 0.008,620 0.006,621 -0.072,622 -0.044,623 -0.017,624 -0.004,625 0.01,626 0.003,627 -0.161,628 -0.116,629 -0.125,630 -0.148,631 -0.173,632 -0.136,633 -0.034,634 -0.029,635 -0.055,636 -0.057,637 -0.078,638 -0.058,639 0.015,640 -0.151,641 -0.111,642 -0.154,643 0.034,644 -0.077,645 -0.097,646 -0.08,647 0.008,648 0.003,649 -0.037,650 0.023,651 0.023,652 0.044,653 -0.067,654 -0.022,655 0.002,656 -0.055,657 1.758,658 5.075,659 0.75,660 31.077,661 1,662 1.109,663 3.15,664 9.92,665 0.727,666 3.466,667 3.761,668 4.043,669 4.29,670 4.477,671 4.511,672 4.663,673 4.82,674 4.92,675 5.043,676 7.218,677 0.689,678 386.51,679 3.466,680 4.99,681 5.838,682 6.703,683 7.566,684 8.438,685 9.307,686 10.184,687 11.057,688 11.936,689 8.7,696 1,697 1,699 2,703 2,704 11,705 2,706 1,709 5,711 22,718 1,731 46,733 24,734 2,735 31,737 49,738 22,739 18,740 5,741 7,742 3,746 4,747 5,761 21,762 1,766 2,771 1,773 2,775 1,778 1,781 18,782 4,783 2,784 6,785 1,790 4,794 0.75,795 1,803 1,805 1,811 1,812 3,815 1,831 2,840 3,841 1,842 1,844 1,848 28,855 1,857 1,870 2.2,873 1,877 13.667,878 8.567,879 6.278,880 2.606,881 4.876,882 1.631,883 1.026,884 5.448,885 12.607,886 3.807,887 4.422,888 5.057,889 5.659,890 6.184,891 6.473,892 6.95,893 7.425,894 7.784,895 8.249,896 1,897 42,898 10.281,900 4.312,901 7.685,902 19.632,904 15.861,905 2.185,906 61.167,909 1,910 188.338,911 184.601,912 68.122,914 25.145,916 32.22,917 152.381,918 213.483,919 68.122,920 8.396,921 18.011,922 113.715,923 75.069,924 39.471,925 2.757,926 208.786,928 188.338,929 220.503,930 25.145,931 32.22,933 188.338,934 25.145,937 48.622,938 119.48,939 52.401,940 32.22,941 188.338,942 93.267,943 184.601,946 188.338,947 53.442,948 131.159,949 34.674,950 58.593,951 188.338,952 93.267,953 184.601,955 0.57,956 0.34,957 0.184,958 0.096,959 20,960 8,961 0.102,962 5,963 1,964 1.095,965 4.104,966 238.128,967 0.095,968 21,969 132.606,970 1,974 18.33,975 8.322,976 4.128,977 1.916,978 76.604,979 21.257,980 8.709,981 3.076,984 4.421,986 34.674,987 466.205,988 44,993 12.075,995 3.931,997 -0.092,999 45.996,1000 51.029,1001 0.287,1002 0.638,1003 0.816,1004 0.955,1005 0.981,1006 0.981,1007 5.007,1008 1.451,1009 5.796,1010 3.78,1011 4.443,1012 5.109,1013 3.027,1014 6.581,1015 4.374,1016 6.215,1017 1.348,1018 7.334,1019 3.193,1020 3.892,1021 4.796,1023 7.434,1024 3.786,1025 7.513,1026 1.127,1027 8.974,1028 3.112,1029 6.004,1030 7.347,1031 5.043,1032 10.536,1033 5.873,1034 8.853,1035 1,1036 10.677,1037 2.6,1038 6.33,1039 7.933,1041 12.263,1042 6.166,1043 10.226,1044 0.775,1045 12.422,1046 2.136,1047 7.856,1048 9.887,1049 7.187,1050 14.856,1051 7.673,1052 11.624,1053 0.47,1054 14.196,1055 1.809,1056 8.595,1057 10.918,1059 16.934,1060 8.384,1061 13.042,1062 0.264,1063 15.991,1064 1.123,1065 9.877,1066 12.61,1067 9.348,1068 19.354,1069 9.647,1070 3.099,1072 17.802,1073 0.431,1074 10.814,1075 13.87,1077 21.575,1078 10.559,1079 2.983,1080 10.339,1081 19.625,1083 11.993,1084 15.445,1085 11.511,1086 23.933,1087 11.719,1088 2.529,1089 9.959,1090 21.458,1091 4.514,1092 13.024,1093 16.821,1095 26.212,1096 12.725,1097 2.391,1098 7.261,1099 23.298,1100 3.946,1101 14.161,1102 18.345,1103 13.675,1104 28.547,1105 13.841,1106 2.009,1107 6.948,1108 25.144,1109 3.516,1110 15.236,1111 19.78,1113 30.851,1114 14.892,1115 1.796,1116 5.806,1117 26.995,1118 3.191,1119 16.357,1120 21.285,1121 15.838,1122 33.179,1123 15.992,1124 1.508,1125 5.113,1126 28.85,1127 2.665,1128 17.453,1129 22.75,1131 35.493,1132 17.063,1133 10198,1134 17078,1135 21.266,1136 33.455,1137 46.139,1138 49.301,1139 47.116,1140 45.573,1141 45.498,1142 63.743,1143 8.017,1144 127.22,1145 43.936,1146 5.353,1147 6.574,1148 6.344,1149 5.207,1150 5.099,1151 7.514,1152 5.9,1153 17.118,1154 5.022,1155 10.021,1156 1.488,1157 1.59,1158 1.52,1159 1.47,1160 1.468,1161 2.056,1162 0.259,1163 4.104,1164 1.417,1165 4.114,1166 4.149,1167 4.161,1168 4.04,1169 7.429,1170 4.035,1171 3.914,1172 3.935,1173 3.946,1174 3.861,1175 5.09,1176 3.851,1177 3.863,1178 3.903,1179 3.805,1180 3.767,1181 4.896,1182 3.77,1183 3.473,1184 3.541,1185 3.551,1186 3.386,1187 4.699,1188 3.366,1189 3.449,1190 3.502,1191 3.342,1192 3.201,1193 4.362,1194 3.226,1195 3.18,1196 3.244,1197 3.169,1198 3.071,1199 4.18,1200 3.044,1201 2.988,1202 3.043,1203 2.982,1204 2.85,1205 4.151,1206 2.82,1207 2.919,1208 2.964,1209 2.789,1210 2.789,1211 3.826,1212 2.775,1213 0.147,1214 0.148,1215 0.211,1216 0.131,1217 0.1,1218 4.558,1219 0.146,1220 4.574,1221 0.095,1222 6.542,1223 0.334,1224 4.073,1225 0.097,1226 3.099,1227 4.514,1228 2.95,1229 10.339,1230 3.022,1231 1.957,1232 1.944,1233 2.015,1234 2.012,1235 1.18,1236 2.024,1237 1.883,1238 1.86,1239 1.98,1240 1.978,1241 1.081,1242 1.983,1243 1.831,1244 1.798,1245 1.936,1246 1.928,1247 0.976,1248 1.933,1249 1.509,1250 1.46,1251 1.681,1252 1.735,1253 0.691,1254 1.705,1255 1.385,1256 1.307,1257 1.646,1258 1.679,1259 0.679,1260 1.683,1261 1.107,1262 1.035,1263 1.297,1264 1.345,1265 0.324,1266 1.347,1267 0.986,1268 0.963,1269 1.196,1270 1.196,1271 0.241,1272 1.196,1273 0.95,1274 0.898,1275 1.109,1276 1.042,1277 0.222,1278 1.089,1279 4.143,1281 5.442,1282 2.398,1283 6.942,1284 4.727,1285 8.53,1286 6.823,1287 10.163,1289 1.638,1296 2.686,1298 1.55,1305 31.675,1306 72.918,1307 162.004,1308 207.355,1309 242.574,1310 249.329,1311 249.329,1312 38.591,1313 7.731,1314 70.67,1315 95.97,1316 23,1317 12.474,1318 4.644,1319 3.807,1320 42.629,1321 124,1322 118,1323 0.172,1324 199.404,1325 335.74,1326 478.306,1327 26432,1329 19.347,1330 0.691,1331 0.573,1332 19.7,1333 16.033,1334 13.742,1335 0.443,1336 0.31,1337 8.792,1338 12.917,1339 8.494,1340 7.093,1341 14.15,1342 9.623,1343 11.851,1344 0.282,1345 0.171,1346 12.52,1347 7.197,1348 10.313,1349 0.184,1350 0.095,1351 11.07,1352 5.317,1353 8.487,1354 0.118,1355 0.053,1356 9.367,1357 3.829,1358 6.761,1359 0.078,1360 0.031,1361 7.657,1362 2.697,1363 0.274,1364 89.029,1365 0.217,1366 27.141,1367 0.457,1368 146,1369 406.552,1370 180.387,1371 425.706,1372 591.47,1373 400,1374 171,1375 426.704,1376 201.784,1377 452.166,1378 657.62,1379 427,1380 5}
{0 CHEMBL1289975,1 1.611,2 9.724,3 3.835,4 14.705,5 111.445,6 7.928,7 0.667,8 4.035,9 4.153,10 3.662,11 3.548,12 5.174,13 3.559,14 4.545,15 4.703,16 4.015,17 3.937,18 5.658,19 3.929,20 4.765,21 4.965,22 4.001,23 4.039,24 5.797,25 3.993,26 4.766,27 5.004,28 3.923,29 3.975,30 5.764,31 3.912,32 4.681,33 4.907,34 3.934,35 3.926,36 5.754,37 3.882,38 4.643,39 4.836,40 3.945,41 3.97,42 5.672,43 3.932,44 4.753,45 4.962,46 3.99,47 4.045,48 5.8,49 3.98,50 4.82,51 5.038,52 3.897,53 4.082,54 5.765,55 3.99,56 0.101,57 0.79,58 9.213,59 3.991,60 10.076,61 4.944,62 0.306,63 1.253,64 17.369,65 6.598,66 22.023,67 8.347,68 0.407,69 1.46,70 23.913,71 8.157,72 33.65,73 10.985,74 0.368,75 1.454,76 25.237,77 8.195,78 35.73,79 11.756,80 0.491,81 1.348,82 22.913,83 7.221,84 42.793,85 10.288,86 0.269,87 1.343,88 20.106,89 7.043,90 22.799,91 9.508,92 0.471,93 1.431,94 23.643,95 8.686,96 36.609,97 12.02,98 0.321,99 1.443,100 26.158,101 10.106,102 33.403,103 13.635,104 2,105 46,106 0.268,107 0.648,108 0.786,109 0.868,110 0.868,111 0.868,112 3.409,113 0.86,114 -3.92,115 -3.87,116 -3.67,119 42.9,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 7,183 7,186 1,187 4,192 6,195 6,199 7,202 2,204 2,207 3,211 2,212 7,215 2,216 1,217 3,220 3,224 6,229 1,232 2,236 1,237 9,240 4,241 1,242 2,245 6,250 2,258 6,262 2,263 4,266 2,268 3,271 4,275 1386,276 20.118,277 20.118,278 20.118,279 20.118,280 20.118,281 17.597,282 22.098,283 12.015,284 20.666,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.556,291 36.024,292 5.802,293 17.279,294 4.004,295 1.725,296 0.898,297 0.408,298 0.408,299 0.408,300 4.124,304 1,305 1,306 632,307 2.345,310 70.523,311 343.366,314 119.682,318 1.427,319 23.676,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 282,332 4.434,333 3.19,334 6.32,335 3.989,336 3.039,337 4.367,338 0.86,339 9.735,340 2.91,341 4.368,342 2.978,343 6.195,344 3.914,345 2.936,346 4.044,347 0.8,348 9.263,349 2.868,350 4.026,351 2.884,352 6.033,353 3.672,354 2.727,355 3.571,356 0.4,357 8.707,358 2.556,359 3.742,360 2.663,361 5.51,362 3.419,363 2.477,364 3.096,366 7.44,367 2.328,368 3.582,369 2.428,370 5.1,371 3.19,372 2.234,373 2.89,375 6.245,376 2.13,377 3.347,378 2.272,379 4.926,380 2.93,381 1.979,382 2.637,384 5.699,385 1.877,386 3.034,387 2.029,388 4.419,389 2.624,390 1.722,391 2.301,393 4.378,394 1.545,395 2.923,396 1.534,397 4.356,398 2.517,399 1.534,400 2.018,402 4.194,403 1.507,404 2.789,405 1.513,406 4.134,407 2.325,408 1.363,409 1.887,411 3.563,412 1.306,413 2.589,414 1.338,415 3.493,416 2.082,417 1.129,418 1.631,420 2.619,421 1.074,422 2.547,423 1.256,424 3.469,425 2.045,426 1.087,427 1.569,428 2.476,429 1.039,430 2.198,431 1.11,432 3.449,433 1.952,434 1,435 1.171,436 2.445,437 0.946,438 2,439 1.044,440 3.247,441 1.913,442 1,443 1,445 2.136,446 0.905,447 1.956,448 0.524,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.264,457 0.075,458 2.906,459 0.892,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 13.567,466 0.468,467 0.602,468 0.021,469 41.5,470 1.431,471 21.5,472 0.741,473 20,474 0.69,475 20.803,476 0.717,477 30.233,478 0.617,479 30.544,480 1.053,481 8.279,482 0.285,483 5.963,484 0.206,485 0.025,487 0.324,493 0.949,494 1.273,495 0.74,496 1.013,497 0.925,498 0.868,499 1.087,500 1.076,501 0.9,502 0.964,503 0.726,504 0.914,505 1.146,506 1.159,507 1.066,508 1.014,509 1.022,510 1.023,511 0.847,512 1.088,513 0.955,514 0.984,515 0.877,516 0.973,517 0.82,518 0.906,519 0.906,520 0.812,521 0.813,522 0.847,523 1.039,524 1.175,525 1.055,526 1.053,527 0.924,528 1.038,529 0.629,530 0.943,531 0.952,532 1.023,533 0.595,534 1.036,535 0.901,536 0.988,537 1.053,538 1.13,539 0.919,540 1.124,541 5.5,542 0.117,543 2.444,544 1.507,545 1.195,546 0.872,547 0.575,548 0.306,549 0.286,550 0.223,551 11232,552 30064,553 2.215,554 40.8,556 16,558 1,559 3,564 1.726,565 2.148,566 3.292,567 0.926,569 1,573 78.934,574 1.611,575 3.89,576 4.717,577 5.207,578 5.207,579 5.207,580 2.66,581 4.651,582 4.83,583 3.466,584 1407.06,585 8.447,586 19080.8,588 1,590 1,591 275.121,592 1.091,593 4.82,594 0.167,595 0.005,596 0.053,597 0.034,598 0.03,599 0.021,600 0.014,601 0.007,602 0.007,603 0.007,604 0.345,605 0.33,606 0.88,607 0.335,608 145.837,609 -0.066,610 -0.109,611 0.049,612 -0.018,613 -0.103,614 0.025,615 -0.06,616 0.034,617 -0.028,618 0.002,619 0.03,620 -0.013,621 -0.159,622 -0.125,623 -0.128,624 -0.048,625 -0.121,626 -0.079,627 -0.044,628 -0.072,629 0.016,630 -0.031,631 -0.043,633 0.089,634 0.144,635 0.059,636 0.124,637 0.072,638 0.096,639 -0.19,640 -0.09,641 -0.158,642 -0.096,643 -0.136,644 -0.108,645 0.191,646 0.082,647 -0.022,648 -0.036,649 0.164,650 -0.062,651 -0.082,652 -0.044,653 -0.102,654 -0.098,655 -0.094,656 -0.099,657 1.464,658 3.882,659 0.931,660 26.214,661 1.009,662 1.129,663 2.687,664 7.221,665 0.679,666 3.526,667 3.85,668 4.127,669 4.419,670 4.654,671 4.727,672 4.927,673 5.075,674 5.193,675 5.313,676 6.298,677 0.658,678 388.47,679 3.526,680 5.069,681 5.922,682 6.799,683 7.665,684 8.547,685 9.419,686 10.303,687 11.179,688 12.063,689 12.2,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,728 1,731 49,733 22,734 2,735 33,737 53,738 21,739 17,740 5,741 7,746 5,747 6,761 17,762 4,778 1,781 20,782 7,783 3,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 29,853 1,854 4,855 1,856 1,859 1,870 4.1,872 1,874 1,877 13.5,878 8.667,879 6.25,880 2.846,881 3.857,882 1.492,883 1.02,884 4.857,885 11.697,886 3.807,887 4.434,888 5.043,889 5.666,890 6.204,891 6.507,892 6.968,893 7.395,894 7.689,895 8.099,896 1,897 44,898 10.674,900 4.589,901 7.667,902 20.474,904 16.982,905 2.167,906 62.833,908 1,909 1,910 200.109,911 115.897,912 88.032,914 53.683,917 115.897,918 253.792,919 88.032,921 13.396,922 75.81,923 115.688,924 58.118,925 6.371,926 188.338,928 200.109,929 203.929,930 53.683,933 200.109,934 42.683,935 11,937 61.773,938 91.922,939 50.234,941 200.109,942 141.715,943 115.897,946 200.109,947 31.039,948 87.982,949 34.674,950 103.917,951 200.109,952 141.715,953 115.897,955 0.579,956 0.334,957 0.187,958 0.103,959 24,960 9,961 0.075,962 4,963 1,964 1.074,965 4.148,966 266.541,967 0.074,968 27,969 132.127,974 18.068,975 7.796,976 3.936,977 1.998,978 125.052,979 16.725,980 13.541,981 2.953,984 4.004,986 77.357,987 457.721,988 44,999 49.451,1000 55.315,1001 0.287,1002 0.693,1003 0.84,1004 0.927,1005 0.927,1006 0.927,1007 5.034,1008 1.534,1009 5.889,1010 4.378,1011 4.533,1012 5.121,1013 1.324,1014 6.673,1015 4.434,1016 6.233,1017 1.363,1018 7.421,1019 4.194,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.863,1025 7.532,1026 1.129,1027 9.049,1028 3.563,1029 6.098,1030 7.34,1031 0.958,1032 10.558,1033 5.914,1034 8.866,1035 1.087,1036 10.733,1037 2.619,1038 6.399,1039 7.923,1040 0.268,1041 12.164,1042 6.173,1043 10.231,1044 1,1045 12.455,1046 2.476,1047 7.926,1048 9.849,1049 0.736,1050 14.742,1051 7.664,1052 11.619,1053 1,1054 14.201,1055 2.445,1056 8.623,1057 10.85,1058 0.188,1059 16.699,1060 8.323,1061 13.024,1062 0.488,1063 15.964,1064 2.136,1065 9.903,1066 12.524,1067 0.57,1068 19.077,1069 9.568,1070 3.039,1071 -0.051,1072 17.741,1073 1.187,1074 10.797,1075 13.743,1076 0.125,1077 21.191,1078 10.426,1079 2.936,1080 9.735,1081 19.528,1082 -0.149,1083 11.966,1084 15.298,1085 0.439,1086 23.489,1087 11.561,1088 2.727,1089 9.263,1090 21.322,1091 4.367,1092 12.958,1093 16.63,1094 0.082,1095 25.674,1096 12.518,1097 2.477,1098 8.707,1099 23.122,1100 4.044,1101 14.078,1102 18.13,1103 0.334,1104 27.941,1105 13.604,1106 2.234,1107 7.44,1108 24.927,1109 3.571,1110 15.118,1111 19.521,1112 0.054,1113 30.16,1114 14.61,1115 1.979,1116 6.245,1117 26.736,1118 3.096,1119 16.218,1120 20.996,1121 0.252,1122 32.416,1123 15.677,1124 1.722,1125 5.699,1126 28.548,1127 2.89,1128 17.284,1129 22.419,1130 0.035,1131 34.652,1132 16.707,1133 10267,1134 16935,1135 23.057,1136 33.273,1137 49.737,1138 49.641,1139 49.675,1140 49.485,1141 49.434,1142 65.775,1143 4.12,1144 140.175,1145 46.918,1146 5.434,1147 5.19,1148 6.122,1149 5.093,1150 5.039,1151 7.367,1152 1.72,1153 16.249,1154 4.91,1155 7.12,1156 1.507,1157 1.504,1158 1.505,1159 1.5,1160 1.498,1161 1.993,1162 0.125,1163 4.248,1164 1.422,1165 4.106,1166 4.15,1167 4.068,1168 3.995,1169 6.471,1170 4.007,1171 3.98,1172 4.017,1173 3.941,1174 3.886,1175 5.106,1176 3.892,1177 3.802,1178 3.847,1179 3.73,1180 3.621,1181 4.982,1182 3.644,1183 3.64,1184 3.692,1185 3.548,1186 3.451,1187 4.613,1188 3.466,1189 3.368,1190 3.436,1191 3.301,1192 3.171,1193 4.573,1194 3.194,1195 3.111,1196 3.206,1197 2.897,1198 2.941,1199 4.422,1200 2.91,1201 2.99,1202 3.053,1203 2.871,1204 2.849,1205 3.977,1206 2.849,1207 2.966,1208 3.008,1209 2.866,1210 2.762,1211 3.867,1212 2.781,1213 0.134,1214 0.097,1215 0.192,1216 0.121,1217 0.092,1218 4.434,1219 0.132,1220 3.19,1221 0.026,1222 6.32,1223 0.295,1224 3.989,1225 0.088,1226 3.039,1227 4.367,1228 0.86,1229 9.735,1230 2.91,1231 1.959,1232 1.932,1233 2.039,1234 2.083,1235 1.202,1236 2.068,1237 1.912,1238 1.889,1239 2.001,1240 2.003,1241 1.153,1242 2.003,1243 1.734,1244 1.681,1245 1.917,1246 1.942,1247 1.096,1248 1.939,1249 1.563,1250 1.517,1251 1.689,1252 1.76,1253 0.825,1254 1.743,1255 1.31,1256 1.229,1257 1.513,1258 1.636,1259 0.733,1260 1.589,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.069,1268 1.015,1269 1.221,1270 1.282,1271 0.305,1272 1.267,1273 0.883,1274 0.843,1275 1.141,1276 1.157,1277 0.265,1278 1.137,1279 4.205,1281 5.525,1282 2.398,1283 7.04,1284 4.595,1285 8.64,1286 6.581,1287 10.284,1294 9.882,1295 2.785,1296 3.377,1297 5.456,1300 2.111,1305 32.246,1306 78.934,1307 190.591,1308 231.121,1309 255.121,1310 255.121,1311 255.121,1312 36.127,1313 7.84,1314 99.19,1315 99.19,1316 29,1317 12.598,1318 4.524,1319 3.585,1320 39.316,1321 108,1322 100,1323 0.173,1324 194.727,1325 323.64,1326 466.894,1327 26962,1329 19.631,1330 0.677,1331 0.54,1332 19.631,1333 15.669,1334 14.242,1335 0.432,1336 0.287,1337 9.297,1338 13.604,1339 9.162,1340 7.526,1341 14.242,1342 9.459,1343 12.889,1344 0.28,1345 0.15,1346 12.889,1347 6.885,1348 10.903,1349 0.179,1350 0.08,1351 10.903,1352 4.863,1353 9.496,1354 0.116,1355 0.041,1356 9.496,1357 3.385,1358 7.736,1359 0.074,1360 0.022,1361 7.736,1362 2.25,1363 0.267,1364 89.785,1365 0.208,1366 27.288,1367 0.49,1368 158,1369 457.131,1370 174.888,1371 443.303,1372 618.44,1373 418,1374 186,1375 468.47,1376 203.335,1377 472.946,1378 691.92,1379 446,1380 7.509}
{0 CHEMBL1290069,1 1.611,2 9.69,3 3.835,4 14.705,5 111.445,6 7.928,7 0.667,8 4.035,9 4.153,10 3.662,11 3.548,12 5.174,13 3.559,14 4.545,15 4.703,16 4.015,17 3.937,18 5.651,19 3.929,20 4.765,21 4.965,22 4.022,23 4.04,24 5.807,25 3.999,26 4.774,27 5.002,28 3.955,29 3.981,30 5.834,31 3.925,32 4.702,33 4.929,34 3.934,35 3.934,36 5.754,37 3.893,38 4.652,39 4.844,40 3.978,41 3.975,42 5.725,43 3.935,44 4.759,45 4.968,46 3.983,47 4.043,48 5.776,49 3.989,50 4.835,51 5.041,52 3.927,53 4.094,54 5.837,55 4.01,56 0.101,57 0.79,58 9.213,59 3.991,60 10.158,61 4.944,62 0.306,63 1.253,64 17.369,65 6.598,66 21.098,67 8.347,68 0.393,69 1.46,70 23.89,71 8.155,72 31.42,73 11.003,74 0.419,75 1.458,76 25.205,77 8.175,78 43.991,79 11.568,80 0.488,81 1.367,82 23.576,83 7.285,84 40.699,85 10.268,86 0.356,87 1.347,88 20.367,89 7.269,90 28.69,91 10.022,92 0.406,93 1.443,94 23.802,95 8.373,96 32.189,97 11.334,98 0.35,99 1.442,100 26.401,101 10.344,102 41.412,103 13.561,104 2,105 46,106 0.268,107 0.648,108 0.779,109 0.861,110 0.868,111 0.868,112 3.409,113 0.86,114 -3.92,115 -3.87,116 -3.67,119 42.9,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 7,183 7,186 1,187 3,192 6,195 5,199 8,202 3,204 3,207 4,211 2,212 5,215 1,216 1,217 1,220 3,224 8,227 2,228 1,229 2,232 2,236 1,237 9,240 2,242 2,245 4,250 1,255 2,258 6,262 2,263 5,266 3,268 3,271 6,275 1371,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 17.621,282 22.098,283 12.051,284 20.711,285 16.364,286 16.364,287 16.364,288 16.364,289 16.364,290 12.535,291 36.024,292 5.79,293 17.253,294 4.004,295 1.725,296 0.939,297 0.449,298 0.408,299 0.408,300 4.124,304 1,305 1,306 630,307 2.345,310 70.108,311 341.286,314 118.924,318 1.398,319 24.364,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 281,332 4.444,333 3.211,334 6.493,335 4.037,336 3.08,337 4.367,338 0.86,339 10.166,340 2.96,341 4.409,342 3.003,343 6.197,344 3.922,345 2.942,346 4.106,347 0.8,348 9.272,349 2.884,350 4.08,351 2.977,352 6.143,353 3.722,354 2.791,355 3.622,356 0.4,357 9.047,358 2.585,359 3.741,360 2.67,361 5.536,362 3.421,363 2.481,364 3.094,366 7.493,367 2.328,368 3.5,369 2.35,370 5.152,371 3.107,372 2.15,373 2.781,375 6.249,376 2.055,377 3.221,378 2.162,379 4.834,380 2.777,381 1.824,382 2.497,384 5.274,385 1.734,386 3.034,387 1.922,388 4.387,389 2.617,390 1.718,391 2.301,393 4.288,394 1.538,395 2.897,396 1.534,397 4.353,398 2.517,399 1.534,400 2.018,402 4.192,403 1.507,404 2.86,405 1.52,406 3.879,407 2.392,408 1.414,409 1.95,411 3.104,412 1.376,413 2.59,414 1.418,415 3.582,416 2.089,417 1.146,418 1.632,420 2.77,421 1.079,422 2.55,423 1.256,424 3.49,425 2.047,426 1.089,427 1.574,428 2.541,429 1.04,430 2.199,431 1.11,432 3.449,433 1.952,434 1,435 1.172,436 2.446,437 0.946,438 2,439 1.046,440 3.247,441 1.914,442 1,443 1,445 2.136,446 0.906,447 1.956,448 0.525,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.265,457 0.123,458 2.906,459 0.893,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 13.567,466 0.468,467 0.585,468 0.02,469 41.5,470 1.431,471 21.5,472 0.741,473 20,474 0.69,475 20.893,476 0.72,477 30.233,478 0.617,479 30.701,480 1.059,481 8.295,482 0.286,483 5.964,484 0.206,485 0.025,487 0.324,493 0.949,494 1.273,495 0.74,496 1.013,497 0.922,498 0.868,499 1.087,500 1.076,501 0.9,502 0.964,503 0.754,504 0.914,505 1.123,506 1.159,507 1.024,508 1.009,509 0.967,510 0.997,511 0.911,512 1.102,513 0.978,514 1.002,515 1.016,516 0.991,517 0.972,518 0.891,519 0.951,520 0.797,521 1.078,522 0.841,523 0.775,524 1.176,525 0.964,526 1.066,527 0.681,528 1.039,529 0.951,530 0.922,531 1.037,532 0.984,533 0.913,534 1.006,535 1.081,536 1.013,537 1.094,538 1.164,539 1.312,540 1.151,541 5,542 0.118,543 2.667,544 1.757,545 1.035,546 0.955,547 0.634,548 0.34,549 0.233,550 0.23,551 11128,552 29572,553 2.215,554 40.8,556 16,558 1,559 3,564 1.726,565 2.148,566 3.273,567 0.926,569 1,573 78.934,574 1.611,575 3.89,576 4.676,577 5.166,578 5.207,579 5.207,580 2.641,581 4.651,582 4.831,583 3.448,584 1399.78,585 8.449,586 18899.6,588 1,590 1,591 275.121,592 1.091,593 4.82,594 0.152,595 0.005,596 0.058,597 0.039,598 0.025,599 0.023,600 0.015,601 0.008,602 0.006,603 0.007,604 0.338,605 0.33,606 0.88,607 0.335,608 145.563,609 -0.066,610 -0.109,611 0.049,612 -0.018,613 -0.1,614 0.025,615 -0.06,616 0.034,617 -0.028,618 0.002,619 0.002,620 -0.013,621 -0.136,622 -0.125,623 -0.085,624 -0.043,625 -0.067,626 -0.053,627 -0.016,628 -0.083,629 -0.006,630 -0.053,631 0.01,632 -0.032,633 -0.013,634 0.155,635 0.023,636 0.135,637 -0.089,638 0.099,639 0.063,640 -0.1,641 -0.064,642 -0.102,643 0.097,644 -0.102,645 -0.057,646 0.116,647 -0.103,648 -0.014,649 -0.052,650 -0.05,651 -0.122,652 -0.082,653 -0.139,654 -0.125,655 -0.142,656 -0.134,657 1.482,658 4.316,659 0.931,660 25.715,661 1.009,662 1.129,663 2.687,664 7.221,665 0.679,666 3.526,667 3.85,668 4.143,669 4.431,670 4.654,671 4.736,672 4.927,673 5.094,674 5.176,675 5.318,676 6.231,677 0.658,678 388.47,679 3.526,680 5.069,681 5.927,682 6.806,683 7.676,684 8.56,685 9.436,686 10.323,687 11.202,688 12.089,689 12.2,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,728 1,731 49,733 22,734 2,735 33,737 53,738 21,739 17,740 5,741 7,746 5,747 6,761 17,762 4,778 1,781 20,782 7,783 3,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 29,853 1,854 4,855 1,856 1,859 1,870 4.1,872 1,874 1,877 13.5,878 8.667,879 6.278,880 2.853,881 3.885,882 1.495,883 1.02,884 4.857,885 11.725,886 3.807,887 4.434,888 5.052,889 5.674,890 6.204,891 6.509,892 6.96,893 7.405,894 7.661,895 8.102,896 1,897 45,898 10.684,900 4.603,901 7.667,902 20.474,904 16.986,905 2.167,906 62.833,908 1,909 1,910 200.109,911 115.897,912 88.032,914 53.683,917 115.897,918 253.792,919 88.032,921 13.396,922 75.81,923 115.688,924 58.118,925 6.371,926 188.338,928 200.109,929 203.929,930 53.683,933 200.109,934 42.683,935 11,937 61.773,938 91.922,939 50.234,941 200.109,942 141.715,943 115.897,946 200.109,947 31.039,948 87.982,949 34.674,950 103.917,951 200.109,952 141.715,953 115.897,955 0.579,956 0.34,957 0.191,958 0.101,959 24,960 9,961 0.075,962 4,963 1,964 1.074,965 4.13,966 267.829,967 0.074,968 27,969 136.881,974 18.068,975 7.796,976 3.804,977 1.987,978 125.052,979 16.762,980 13.498,981 2.95,984 3.673,986 77.357,987 457.721,988 44,999 49.451,1000 55.315,1001 0.287,1002 0.693,1003 0.833,1004 0.92,1005 0.927,1006 0.927,1007 5.034,1008 1.534,1009 5.894,1010 4.288,1011 4.533,1012 5.121,1013 1.324,1014 6.691,1015 4.434,1016 6.233,1017 1.414,1018 7.435,1019 4.192,1020 4.007,1021 4.856,1022 0.325,1023 7.516,1024 3.863,1025 7.534,1026 1.146,1027 9.076,1028 3.104,1029 6.107,1030 7.346,1031 0.958,1032 10.63,1033 5.922,1034 8.872,1035 1.089,1036 10.775,1037 2.77,1038 6.431,1039 7.948,1040 0.268,1041 12.294,1042 6.206,1043 10.243,1044 1,1045 12.514,1046 2.541,1047 7.958,1048 9.869,1049 0.736,1050 14.886,1051 7.696,1052 11.638,1053 1,1054 14.279,1055 2.446,1056 8.684,1057 10.891,1058 0.188,1059 16.896,1060 8.385,1061 13.051,1062 0.488,1063 16.062,1064 2.136,1065 9.965,1066 12.561,1067 0.57,1068 19.296,1069 9.632,1070 3.08,1071 -0.051,1072 17.859,1073 1.187,1074 10.885,1075 13.795,1076 0.125,1077 21.456,1078 10.517,1079 2.942,1080 10.166,1081 19.666,1082 -0.149,1083 12.057,1084 15.348,1085 0.439,1086 23.784,1087 11.658,1088 2.791,1089 9.272,1090 21.481,1091 4.367,1092 13.07,1093 16.689,1094 0.082,1095 26.012,1096 12.637,1097 2.481,1098 9.047,1099 23.302,1100 4.106,1101 14.197,1102 18.188,1103 0.334,1104 28.314,1105 13.732,1106 2.15,1107 7.493,1108 25.127,1109 3.622,1110 15.254,1111 19.585,1112 0.054,1113 30.574,1114 14.757,1115 1.824,1116 6.249,1117 26.957,1118 3.094,1119 16.363,1120 21.059,1121 0.252,1122 32.867,1123 15.834,1124 1.718,1125 5.274,1126 28.79,1127 2.781,1128 17.443,1129 22.484,1130 0.035,1131 35.145,1132 16.881,1133 10172,1134 16722,1135 23.057,1136 33.273,1137 49.629,1138 49.525,1139 49.858,1140 49.372,1141 49.315,1142 65.642,1143 4.12,1144 140.331,1145 46.811,1146 5.444,1147 5.211,1148 6.295,1149 5.14,1150 5.08,1151 7.367,1152 1.72,1153 16.966,1154 4.96,1155 6.898,1156 1.504,1157 1.501,1158 1.511,1159 1.496,1160 1.494,1161 1.989,1162 0.125,1163 4.252,1164 1.419,1165 4.106,1166 4.15,1167 4.068,1168 3.995,1169 6.469,1170 4.007,1171 3.98,1172 4.017,1173 3.943,1174 3.885,1175 5.106,1176 3.892,1177 3.801,1178 3.847,1179 3.727,1180 3.621,1181 4.977,1182 3.643,1183 3.639,1184 3.692,1185 3.545,1186 3.451,1187 4.616,1188 3.465,1189 3.367,1190 3.436,1191 3.299,1192 3.171,1193 4.587,1194 3.194,1195 3.111,1196 3.206,1197 2.881,1198 2.941,1199 4.426,1200 2.91,1201 2.987,1202 3.052,1203 2.867,1204 2.849,1205 3.981,1206 2.848,1207 2.962,1208 3.006,1209 2.866,1210 2.761,1211 3.877,1212 2.779,1213 0.135,1214 0.097,1215 0.197,1216 0.122,1217 0.093,1218 4.444,1219 0.132,1220 3.211,1221 0.026,1222 6.493,1223 0.308,1224 4.037,1225 0.09,1226 3.08,1227 4.367,1228 0.86,1229 10.166,1230 2.96,1231 1.959,1232 1.932,1233 2.038,1234 2.083,1235 1.202,1236 2.067,1237 1.911,1238 1.889,1239 2.001,1240 2.003,1241 1.153,1242 2.003,1243 1.735,1244 1.682,1245 1.918,1246 1.942,1247 1.094,1248 1.939,1249 1.565,1250 1.518,1251 1.695,1252 1.76,1253 0.825,1254 1.744,1255 1.31,1256 1.229,1257 1.513,1258 1.636,1259 0.739,1260 1.59,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.069,1268 1.014,1269 1.222,1270 1.28,1271 0.306,1272 1.266,1273 0.883,1274 0.843,1275 1.146,1276 1.156,1277 0.266,1278 1.137,1279 4.205,1281 5.525,1282 2.398,1283 7.045,1284 4.595,1285 8.652,1286 6.581,1287 10.304,1294 10.316,1295 2.74,1296 3.363,1297 5.453,1300 2.095,1305 32.246,1306 78.934,1307 190.591,1308 229.121,1309 253.121,1310 255.121,1311 255.121,1312 37.299,1313 7.84,1314 99.19,1315 99.19,1316 29,1317 12.622,1318 4.524,1319 3.585,1320 39.305,1321 107,1322 100,1323 0.175,1324 194.727,1325 323.64,1326 466.894,1327 26962,1329 19.631,1330 0.677,1331 0.54,1332 19.631,1333 15.669,1334 14.259,1335 0.432,1336 0.287,1337 9.303,1338 13.625,1339 9.171,1340 7.533,1341 14.259,1342 9.465,1343 12.783,1344 0.278,1345 0.149,1346 12.783,1347 6.852,1348 11.042,1349 0.178,1350 0.079,1351 11.042,1352 4.901,1353 9.597,1354 0.116,1355 0.041,1356 9.597,1357 3.4,1358 7.695,1359 0.074,1360 0.022,1361 7.695,1362 2.243,1363 0.27,1364 89.886,1365 0.208,1366 27.236,1367 0.497,1368 158,1369 457.131,1370 174.888,1371 443.084,1372 619,1373 418,1374 187,1375 469.47,1376 204.668,1377 473.607,1378 694.82,1379 447,1380 6.041}
{0 CHEMBL1290070,1 1.611,2 10.172,3 3.835,4 14.705,5 111.445,6 7.928,7 0.667,8 4.035,9 4.153,10 3.662,11 3.548,12 5.174,13 3.559,14 4.545,15 4.703,16 4.015,17 3.937,18 5.658,19 3.929,20 4.765,21 4.965,22 4.001,23 4.039,24 5.803,25 3.993,26 4.766,27 5.004,28 3.9,29 3.974,30 5.754,31 3.906,32 4.673,33 4.909,34 3.902,35 3.92,36 5.679,37 3.869,38 4.621,39 4.811,40 3.945,41 3.962,42 5.673,43 3.922,44 4.745,45 4.954,46 3.957,47 4.04,48 5.751,49 3.978,50 4.814,51 5.033,52 3.905,53 4.083,54 5.789,55 3.982,56 0.101,57 0.79,58 9.213,59 3.991,60 10.076,61 4.944,62 0.306,63 1.253,64 17.369,65 6.598,66 21.942,67 8.347,68 0.407,69 1.46,70 23.913,71 8.157,72 34.575,73 10.985,74 0.383,75 1.454,76 25.26,77 8.196,78 37.959,79 11.738,80 0.441,81 1.344,82 22.946,83 7.24,84 34.532,85 10.476,86 0.273,87 1.324,88 19.443,89 6.979,90 24.892,91 9.528,92 0.384,93 1.427,94 23.382,95 8.46,96 30.718,97 11.506,98 0.386,99 1.431,100 25.999,101 10.42,102 37.823,103 14.321,104 2,105 46,106 0.268,107 0.648,108 0.773,109 0.841,110 0.841,111 0.841,112 3.409,113 0.86,114 -3.92,115 -3.87,116 -3.67,119 42.9,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 7,183 7,186 1,187 4,192 6,195 6,199 8,202 2,204 2,207 4,211 2,212 6,215 1,216 1,217 2,220 2,224 8,227 1,229 3,232 2,236 1,237 7,240 2,242 1,245 6,250 2,253 2,254 1,258 8,262 2,263 5,266 2,268 1,271 4,275 1401,276 20.118,277 20.118,278 20.118,279 20.118,280 20.118,281 17.597,282 22.098,283 11.978,284 20.666,285 16.363,286 16.363,287 16.363,288 16.363,289 16.363,290 12.55,291 36.024,292 5.782,293 17.264,294 4.004,295 1.725,296 0.98,297 0.571,298 0.571,299 0.571,300 4.124,304 1,305 1,306 662,307 2.345,310 70.986,311 345.86,314 120.534,318 1.432,319 23.245,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 295,332 4.433,333 3.189,334 6.313,335 3.984,336 3.035,337 4.367,338 0.86,339 9.709,340 2.906,341 4.361,342 2.978,343 6.195,344 3.912,345 2.935,346 4.034,347 0.8,348 9.263,349 2.863,350 4.009,351 2.858,352 6.02,353 3.658,354 2.711,355 3.553,356 0.4,357 8.645,358 2.546,359 3.742,360 2.659,361 5.505,362 3.418,363 2.475,364 3.098,366 7.423,367 2.328,368 3.628,369 2.476,370 5.08,371 3.231,372 2.276,373 2.957,375 6.195,376 2.167,377 3.374,378 2.288,379 4.959,380 2.96,381 2.008,382 2.663,384 5.814,385 1.908,386 3.034,387 2.04,388 4.433,389 2.625,390 1.723,391 2.301,393 4.408,394 1.547,395 2.928,396 1.534,397 4.356,398 2.517,399 1.534,400 2.018,402 4.195,403 1.507,404 2.744,405 1.512,406 4.185,407 2.279,408 1.335,409 1.826,411 3.675,412 1.255,413 2.585,414 1.273,415 3.491,416 2.061,417 1.098,418 1.627,420 2.597,421 1.055,422 2.5,423 1.256,424 3.449,425 2,426 1.046,427 1.5,428 2.446,429 1,430 2.2,431 1.108,432 3.414,433 1.952,434 1,435 1.174,436 2.275,437 0.946,438 2,439 1,440 3.247,441 1.927,442 1,443 1,445 2.136,446 0.916,447 1.956,448 0.525,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.266,457 0.125,458 2.906,459 0.893,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 13.567,466 0.468,467 0.602,468 0.021,469 41.5,470 1.431,471 21.5,472 0.741,473 20,474 0.69,475 20.736,476 0.715,477 30.233,478 0.617,479 30.426,480 1.049,481 8.279,482 0.285,483 5.963,484 0.206,485 0.025,487 0.324,493 0.949,494 1.273,495 0.74,496 1.013,497 0.925,498 0.868,499 1.087,500 1.076,501 0.9,502 0.964,503 0.728,504 0.914,505 1.146,506 1.159,507 1.066,508 1.014,509 1,510 1.023,511 0.869,512 1.088,513 0.997,514 0.988,515 0.931,516 0.997,517 0.749,518 0.89,519 0.881,520 0.792,521 0.659,522 0.827,523 0.878,524 1.196,525 1.009,526 1.074,527 0.638,528 1.049,529 0.862,530 0.94,531 1.032,532 1.011,533 0.811,534 1.035,535 0.605,536 1.007,537 0.974,538 1.166,539 0.626,540 1.152,541 5.5,542 0.129,543 2.667,544 1.382,545 1.115,546 0.983,547 0.591,548 0.318,549 0.274,550 0.265,551 11336,552 30556,553 2.215,554 40.8,556 16,558 1,559 3,564 1.725,565 2.148,566 3.34,567 0.926,569 1,573 78.934,574 1.611,575 3.89,576 4.635,577 5.043,578 5.043,579 5.043,580 2.728,581 4.513,582 4.829,583 3.499,584 1420.59,585 8.443,586 19258.1,588 1,590 1,591 275.121,592 1.091,593 4.82,594 0.167,595 0.005,596 0.058,597 0.031,598 0.029,599 0.025,600 0.014,601 0.008,602 0.007,603 0.008,604 0.351,605 0.33,606 0.88,607 0.335,608 146.095,609 -0.066,610 -0.109,611 0.049,612 -0.018,613 -0.103,614 0.025,615 -0.06,616 0.034,617 -0.028,618 0.002,619 0.029,620 -0.013,621 -0.159,622 -0.125,623 -0.128,624 -0.048,625 -0.099,626 -0.079,627 -0.066,628 -0.072,629 -0.026,630 -0.036,631 -0.097,632 -0.025,633 0.058,634 0.156,635 0.085,636 0.149,637 0.014,638 0.132,639 -0.086,640 -0.106,641 -0.123,642 -0.111,643 0.034,644 -0.115,645 -0.033,646 0.093,647 -0.106,648 -0.03,649 -0.044,650 -0.067,651 0.146,652 -0.075,653 -0.027,654 -0.118,655 0.104,656 -0.109,657 1.442,658 3.605,659 0.931,660 26.894,661 1.009,662 1.129,663 2.687,664 7.221,665 0.679,666 3.526,667 3.85,668 4.127,669 4.407,670 4.654,671 4.736,672 4.913,673 5.081,674 5.182,675 5.333,676 6.374,677 0.658,678 388.47,679 3.526,680 5.069,681 5.922,682 6.797,683 7.663,684 8.543,685 9.415,686 10.298,687 11.173,688 12.057,689 12.2,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,728 1,731 49,733 22,734 2,735 33,737 53,738 21,739 17,740 5,741 7,746 5,747 6,761 17,762 4,778 1,781 20,782 7,783 3,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 29,853 1,854 4,855 1,856 1,859 1,870 4.1,872 1,874 1,877 13.5,878 8.667,879 6.25,880 2.846,881 3.849,882 1.491,883 1.02,884 4.857,885 11.688,886 3.807,887 4.434,888 5.043,889 5.658,890 6.204,891 6.515,892 6.958,893 7.404,894 7.677,895 8.127,896 0.857,897 44,898 10.669,900 4.582,901 7.667,902 20.474,904 16.982,905 2.167,906 62.833,908 1,909 1,910 200.109,911 115.897,912 88.032,914 53.683,917 115.897,918 253.792,919 88.032,921 13.396,922 75.81,923 115.688,924 58.118,925 6.371,926 188.338,928 200.109,929 203.929,930 53.683,933 200.109,934 42.683,935 11,937 61.773,938 91.922,939 50.234,941 200.109,942 141.715,943 115.897,946 200.109,947 31.039,948 87.982,949 34.674,950 103.917,951 200.109,952 141.715,953 115.897,955 0.58,956 0.334,957 0.183,958 0.102,959 24,960 9,961 0.075,962 4,963 1,964 1.074,965 4.162,966 265.665,967 0.074,968 27,969 132.881,974 18.068,975 7.796,976 3.936,977 2.008,978 125.052,979 16.71,980 13.57,981 2.956,984 4.199,986 77.357,987 457.721,988 44,999 49.451,1000 55.315,1001 0.287,1002 0.693,1003 0.826,1004 0.898,1005 0.898,1006 0.898,1007 5.034,1008 1.534,1009 5.889,1010 4.408,1011 4.533,1012 5.121,1013 1.324,1014 6.671,1015 4.434,1016 6.233,1017 1.335,1018 7.421,1019 4.195,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.863,1025 7.532,1026 1.098,1027 9.048,1028 3.675,1029 6.098,1030 7.34,1031 0.958,1032 10.547,1033 5.914,1034 8.866,1035 1.046,1036 10.732,1037 2.597,1038 6.399,1039 7.923,1040 0.268,1041 12.156,1042 6.173,1043 10.231,1044 1,1045 12.452,1046 2.446,1047 7.924,1048 9.847,1049 0.736,1050 14.726,1051 7.662,1052 11.618,1053 1,1054 14.197,1055 2.275,1056 8.618,1057 10.846,1058 0.188,1059 16.682,1060 8.318,1061 13.022,1062 0.488,1063 15.96,1064 2.136,1065 9.897,1066 12.52,1067 0.57,1068 19.055,1069 9.561,1070 3.035,1071 -0.051,1072 17.735,1073 1.187,1074 10.787,1075 13.736,1076 0.125,1077 21.168,1078 10.415,1079 2.935,1080 9.709,1081 19.52,1082 -0.149,1083 11.954,1084 15.291,1085 0.439,1086 23.463,1087 11.549,1088 2.711,1089 9.263,1090 21.313,1091 4.367,1092 12.944,1093 16.621,1094 0.082,1095 25.647,1096 12.502,1097 2.475,1098 8.645,1099 23.112,1100 4.034,1101 14.062,1102 18.121,1103 0.334,1104 27.911,1105 13.587,1106 2.276,1107 7.423,1108 24.916,1109 3.553,1110 15.101,1111 19.511,1112 0.054,1113 30.129,1114 14.589,1115 2.008,1116 6.195,1117 26.724,1118 3.098,1119 16.199,1120 20.986,1121 0.252,1122 32.382,1123 15.654,1124 1.723,1125 5.814,1126 28.534,1127 2.957,1128 17.263,1129 22.408,1130 0.035,1131 34.616,1132 16.682,1133 10363,1134 17149,1135 23.057,1136 33.273,1137 49.655,1138 49.505,1139 49.669,1140 49.389,1141 49.328,1142 65.649,1143 4.12,1144 139.933,1145 46.821,1146 5.433,1147 5.189,1148 6.115,1149 5.087,1150 5.035,1151 7.367,1152 1.72,1153 16.18,1154 4.906,1155 7.307,1156 1.505,1157 1.5,1158 1.505,1159 1.497,1160 1.495,1161 1.989,1162 0.125,1163 4.24,1164 1.419,1165 4.106,1166 4.15,1167 4.068,1168 3.995,1169 6.471,1170 4.007,1171 3.979,1172 4.017,1173 3.94,1174 3.886,1175 5.106,1176 3.892,1177 3.802,1178 3.847,1179 3.73,1180 3.621,1181 4.984,1182 3.644,1183 3.641,1184 3.692,1185 3.548,1186 3.451,1187 4.612,1188 3.466,1189 3.369,1190 3.437,1191 3.302,1192 3.171,1193 4.567,1194 3.194,1195 3.111,1196 3.206,1197 2.922,1198 2.941,1199 4.419,1200 2.91,1201 2.997,1202 3.055,1203 2.872,1204 2.85,1205 3.97,1206 2.853,1207 2.972,1208 3.016,1209 2.866,1210 2.765,1211 3.826,1212 2.789,1213 0.134,1214 0.097,1215 0.191,1216 0.121,1217 0.092,1218 4.433,1219 0.132,1220 3.189,1221 0.026,1222 6.313,1223 0.294,1224 3.984,1225 0.088,1226 3.035,1227 4.367,1228 0.86,1229 9.709,1230 2.906,1231 1.959,1232 1.932,1233 2.04,1234 2.083,1235 1.202,1236 2.068,1237 1.912,1238 1.889,1239 2.001,1240 2.003,1241 1.153,1242 2.003,1243 1.733,1244 1.681,1245 1.917,1246 1.942,1247 1.097,1248 1.939,1249 1.563,1250 1.517,1251 1.686,1252 1.761,1253 0.825,1254 1.742,1255 1.31,1256 1.229,1257 1.513,1258 1.636,1259 0.73,1260 1.589,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.407,1266 1.429,1267 1.068,1268 1.016,1269 1.217,1270 1.284,1271 0.3,1272 1.267,1273 0.886,1274 0.84,1275 1.181,1276 1.159,1277 0.26,1278 1.137,1279 4.205,1281 5.525,1282 2.398,1283 7.04,1284 4.595,1285 8.638,1286 6.581,1287 10.28,1294 9.605,1295 2.818,1296 3.387,1297 5.459,1300 2.123,1305 32.246,1306 78.934,1307 190.591,1308 227.121,1309 247.121,1310 247.121,1311 247.121,1312 35.668,1313 7.84,1314 99.19,1315 99.19,1316 29,1317 12.592,1318 4.524,1319 3.585,1320 39.337,1321 109,1322 111,1323 0.171,1324 194.727,1325 323.64,1326 466.894,1327 26962,1329 19.631,1330 0.677,1331 0.54,1332 19.631,1333 15.669,1334 14.242,1335 0.432,1336 0.287,1337 9.297,1338 13.604,1339 9.162,1340 7.525,1341 14.242,1342 9.459,1343 12.877,1344 0.28,1345 0.15,1346 12.877,1347 6.882,1348 10.986,1349 0.18,1350 0.08,1351 10.986,1352 4.884,1353 9.344,1354 0.115,1355 0.041,1356 9.344,1357 3.352,1358 7.731,1359 0.074,1360 0.022,1361 7.731,1362 2.253,1363 0.265,1364 89.785,1365 0.208,1366 27.345,1367 0.483,1368 158,1369 457.131,1370 174.888,1371 443.238,1372 618.42,1373 418,1374 186,1375 468.47,1376 203.335,1377 472.809,1378 691.65,1379 446,1380 5.187}
{0 CHEMBL1290175,1 1.539,2 9.643,3 4.102,4 16.827,5 109.75,6 7.76,7 0.688,8 4.005,9 4.129,10 3.626,11 3.541,12 5.099,13 3.54,14 4.527,15 4.692,16 3.968,17 3.926,18 5.587,19 3.906,20 4.735,21 4.948,22 3.947,23 4.022,24 5.699,25 3.961,26 4.725,27 4.967,28 3.866,29 3.952,30 5.676,31 3.878,32 4.643,33 4.878,34 3.874,35 3.905,36 5.643,37 3.851,38 4.603,39 4.801,40 3.889,41 3.952,42 5.582,43 3.901,44 4.717,45 4.934,46 3.903,47 4.026,48 5.671,49 3.949,50 4.78,51 5.007,52 3.809,53 4.066,54 5.658,55 3.951,56 0.053,57 0.778,58 9.201,59 3.914,60 7.791,61 5.06,62 0.262,63 1.241,64 17.621,65 6.528,66 21.177,67 8.474,68 0.307,69 1.442,70 23.725,71 8.086,72 26.924,73 11.237,74 0.277,75 1.428,76 24.314,77 7.945,78 30.298,79 11.553,80 0.387,81 1.326,82 22.315,83 7.023,84 33.924,85 10.162,86 0.18,87 1.314,88 19.63,89 6.911,90 20.024,91 9.571,92 0.304,93 1.406,94 23.144,95 8.419,96 27.959,97 11.719,98 0.201,99 1.406,100 25.384,101 10.164,102 27.686,103 14.012,105 44,106 0.258,107 0.608,108 0.742,109 0.827,110 0.837,111 0.837,112 3.375,113 0.874,114 -4.67,115 -4.58,116 -4.31,119 43.8,125 4,142 9,143 2,144 1,145 1,146 1,147 1,150 1,152 1,168 1,172 8,174 3,175 4,178 1,180 5,183 9,186 1,187 4,192 4,195 7,199 8,202 2,204 1,207 4,211 2,212 7,215 1,216 1,217 2,220 3,224 8,229 2,232 2,236 1,237 9,240 2,242 2,245 6,250 2,258 8,262 2,263 5,266 2,268 1,271 6,275 1266,276 19.67,277 19.67,278 19.67,279 19.67,280 19.67,281 17.174,282 19.942,283 11.892,284 20.178,285 15.897,286 15.897,287 15.897,288 15.897,289 15.897,290 12.146,291 34.862,292 5.746,293 16.717,294 4.046,295 1.953,296 1.152,297 0.641,298 0.583,299 0.583,300 4.093,304 1,305 1,306 609,307 2.236,310 67.476,311 329.164,314 114.542,318 1.408,319 16.894,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 60,331 270,332 4.433,333 3.188,334 6.312,335 3.98,336 3.032,337 4.367,338 0.86,339 9.705,340 2.903,341 4.355,342 2.978,343 6.195,344 3.91,345 2.934,346 4.021,347 0.8,348 9.262,349 2.856,350 3.952,351 2.825,352 6.016,353 3.632,354 2.684,355 3.438,356 0.4,357 8.629,358 2.523,359 3.74,360 2.601,361 5.503,362 3.403,363 2.458,364 3.092,366 7.415,367 2.317,368 3.451,369 2.309,370 5.015,371 3.038,372 2.077,373 2.746,375 5.983,376 1.995,377 3.169,378 2.072,379 4.473,380 2.696,381 1.738,382 2.452,384 4.529,385 1.671,386 3.034,387 1.747,388 4.358,389 2.613,390 1.697,391 2.301,393 4.197,394 1.537,395 2.897,396 1.534,397 4.283,398 2.517,399 1.534,400 1.955,402 4.065,403 1.507,404 2.592,405 1.418,406 3.512,407 2.098,408 1.156,409 1.635,411 2.709,412 1.087,413 2.559,414 1.256,415 3.472,416 2.049,417 1.09,418 1.586,420 2.509,421 1.042,422 2.5,423 1.111,424 3.449,425 2,426 1,427 1.5,428 2.445,429 1,430 2.198,431 1.054,432 3.247,433 1.952,434 1,435 1.171,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.911,442 1,443 1,445 2.136,446 0.903,447 1.956,448 0.524,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.264,457 0.075,458 2.905,459 0.892,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 13.233,466 0.473,467 0.496,468 0.018,469 40.25,470 1.438,471 21,472 0.75,473 19.25,474 0.688,475 19.7,476 0.704,477 28.767,478 0.599,479 28.442,480 1.016,481 8.039,482 0.287,483 5.81,484 0.207,487 0.295,493 0.898,494 1.283,495 0.735,496 1.033,497 0.82,498 0.887,499 1.244,500 1.058,501 0.943,502 0.953,503 1.002,504 0.924,505 1.171,506 1.138,507 1.043,508 0.991,509 1.079,510 0.998,511 0.896,512 1.086,513 0.975,514 0.979,515 1.088,516 0.974,517 0.917,518 0.891,519 0.923,520 0.791,521 1.057,522 0.831,523 1.078,524 1.179,525 1.063,526 1.06,527 0.985,528 1.045,529 0.865,530 0.93,531 1.031,532 1.006,533 0.842,534 1.03,535 0.83,536 0.995,537 1.049,538 1.152,539 0.926,540 1.144,541 4.5,542 0.08,543 2.222,544 1.319,545 0.924,546 0.872,547 0.513,548 0.215,549 0.188,550 0.185,551 10393,552 25845,553 2.246,554 41.7,556 17,558 1,559 2,564 1.716,565 2.211,566 3.283,567 0.247,569 1,573 73.891,574 1.539,575 3.632,576 4.433,577 4.944,578 5.002,579 5.002,580 2.66,581 3.78,582 4.78,583 3.444,584 1301.95,585 8.342,586 17192.7,588 1,590 1,591 268.078,592 0.863,593 4.781,594 0.141,595 0.004,596 0.051,597 0.031,598 0.024,599 0.022,600 0.013,601 0.005,602 0.005,603 0.006,604 0.303,605 0.17,606 0.88,608 139.225,609 0.007,610 -0.13,611 0.073,612 -0.054,613 -0.006,614 0.007,615 -0.041,616 0.038,617 -0.045,618 0.001,619 0.001,620 -0.028,621 -0.126,622 -0.113,623 -0.09,624 -0.031,625 -0.109,626 -0.054,627 -0.033,628 -0.067,629 0.001,630 -0.033,631 -0.06,632 -0.013,633 0.074,634 0.159,635 0.053,636 0.139,637 0.026,638 0.105,639 -0.187,640 -0.101,641 -0.155,642 -0.108,643 -0.132,644 -0.118,645 0.009,646 0.09,647 -0.092,648 -0.028,649 0.024,650 -0.063,651 -0.052,652 -0.072,653 -0.098,654 -0.111,655 -0.093,656 -0.111,657 0.948,658 1.973,659 0.964,660 24.541,661 1.003,662 1.127,663 3.435,664 11.802,665 0.684,666 3.497,667 3.807,668 4.094,669 4.382,670 4.615,671 4.682,672 4.883,673 5.03,674 5.124,675 5.252,676 6.179,677 0.657,678 372.47,679 3.497,680 5.03,681 5.883,682 6.756,683 7.622,684 8.5,685 9.373,686 10.254,687 11.129,688 12.012,689 12.5,695 1,697 2,699 3,703 2,704 10,705 3,706 1,709 5,711 22,724 1,726 1,731 48,733 22,734 2,735 32,737 52,738 21,739 17,740 4,741 8,746 5,747 6,761 17,762 4,778 1,781 20,782 6,783 2,784 7,790 6,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,854 4,855 1,856 1,859 1,870 2.1,874 1,877 12.667,878 8.55,879 6.083,880 2.851,881 3.816,882 1.492,883 1.048,884 4.651,885 11.576,886 3.784,887 4.398,888 5.013,889 5.635,890 6.169,891 6.461,892 6.929,893 7.357,894 7.623,895 8.051,896 1,897 42,898 10.302,900 4.387,901 7.542,902 19.998,904 16.57,905 2.042,906 57.167,909 1,910 211.88,911 125.373,912 88.032,914 11,917 125.373,918 222.88,919 88.032,921 13.396,922 85.286,923 73.005,924 58.118,925 6.371,926 200.109,928 211.88,929 213.405,930 11,933 211.88,935 11,937 61.773,938 101.398,939 50.234,941 211.88,942 99.032,943 125.373,946 211.88,947 31.039,948 97.458,949 34.674,950 61.234,951 211.88,952 99.032,953 125.373,955 0.574,956 0.334,957 0.189,958 0.103,959 23,960 8,961 0.077,962 4,963 1,964 1.074,965 4.106,966 253.365,967 0.074,968 27,969 124.606,974 17.171,975 7.584,976 3.73,977 2.058,978 82.369,979 20.043,980 13.667,981 2.971,984 4.394,986 34.674,987 436.285,988 43,999 48.123,1000 54.106,1001 0.276,1002 0.65,1003 0.794,1004 0.885,1005 0.896,1006 0.896,1007 5.001,1008 1.534,1009 5.838,1010 4.197,1011 4.489,1012 5.085,1013 1.324,1014 6.616,1015 4.395,1016 6.189,1017 1.156,1018 7.363,1019 4.065,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.757,1025 7.48,1026 1.09,1027 8.988,1028 2.709,1029 6.043,1030 7.292,1031 0.958,1032 10.504,1033 5.864,1034 8.808,1035 1,1036 10.672,1037 2.509,1038 6.312,1039 7.841,1040 0.268,1041 12.124,1042 6.093,1043 10.17,1044 1,1045 12.396,1046 2.445,1047 7.869,1048 9.798,1049 0.736,1050 14.699,1051 7.612,1052 11.556,1053 1,1054 14.146,1055 2.136,1056 8.553,1057 10.784,1058 0.188,1059 16.665,1060 8.257,1061 12.96,1062 0.488,1063 15.914,1064 2.136,1065 9.847,1066 12.475,1067 0.57,1068 19.04,1069 9.515,1070 3.032,1071 -0.051,1072 17.695,1073 1.187,1074 10.736,1075 13.688,1076 0.125,1077 21.157,1078 10.366,1079 2.934,1080 9.705,1081 19.486,1082 -0.149,1083 11.911,1084 15.252,1085 0.439,1086 23.452,1087 11.507,1088 2.684,1089 9.262,1090 21.283,1091 4.367,1092 12.901,1093 16.583,1094 0.082,1095 25.639,1096 12.46,1097 2.458,1098 8.629,1099 23.086,1100 4.021,1101 14.024,1102 18.088,1103 0.334,1104 27.903,1105 13.548,1106 2.077,1107 7.415,1108 24.894,1109 3.438,1110 15.064,1111 19.48,1112 0.054,1113 30.121,1114 14.551,1115 1.738,1116 5.983,1117 26.704,1118 3.092,1119 16.165,1120 20.958,1121 0.252,1122 32.375,1123 15.618,1124 1.697,1125 4.529,1126 28.518,1127 2.746,1128 17.23,1129 22.382,1130 0.035,1131 34.609,1132 16.646,1133 9440,1134 15029,1135 22.652,1136 32.819,1137 48.047,1138 47.977,1139 47.672,1140 47.808,1141 47.774,1142 63.939,1143 4.12,1144 133.816,1145 45.511,1146 5.433,1147 5.188,1148 6.114,1149 5.083,1150 5.032,1151 7.367,1152 1.72,1153 16.172,1154 4.903,1156 1.501,1157 1.499,1158 1.49,1159 1.494,1160 1.493,1161 1.998,1162 0.129,1163 4.182,1164 1.422,1165 4.106,1166 4.149,1167 4.067,1168 3.995,1169 5.107,1170 4.007,1171 3.977,1172 4.017,1173 3.934,1174 3.887,1175 4.991,1176 3.89,1177 3.798,1178 3.847,1179 3.716,1180 3.622,1181 4.705,1182 3.642,1183 3.637,1184 3.692,1185 3.544,1186 3.451,1187 4.598,1188 3.465,1189 3.367,1190 3.436,1191 3.299,1192 3.171,1193 4.427,1194 3.194,1195 3.111,1196 3.206,1197 2.877,1198 2.941,1199 3.981,1200 2.91,1201 2.986,1202 3.052,1203 2.866,1204 2.849,1205 3.879,1206 2.847,1207 2.945,1208 3,1209 2.856,1210 2.759,1211 3.75,1212 2.772,1213 0.139,1214 0.1,1215 0.197,1216 0.124,1217 0.095,1218 4.433,1219 0.136,1220 3.188,1221 0.027,1222 6.312,1223 0.303,1224 3.98,1225 0.091,1226 3.032,1227 4.367,1228 0.86,1229 9.705,1230 2.903,1231 1.962,1232 1.933,1233 2.051,1234 2.083,1235 1.203,1236 2.07,1237 1.916,1238 1.891,1239 2.009,1240 2.003,1241 1.153,1242 2.005,1243 1.736,1244 1.682,1245 1.92,1246 1.941,1247 1.104,1248 1.942,1249 1.565,1250 1.518,1251 1.696,1252 1.759,1253 0.825,1254 1.745,1255 1.31,1256 1.229,1257 1.513,1258 1.636,1259 0.741,1260 1.59,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.069,1268 1.014,1269 1.222,1270 1.28,1271 0.306,1272 1.266,1273 0.886,1274 0.827,1275 1.181,1276 1.136,1277 0.266,1278 1.13,1279 4.174,1281 5.485,1282 2.398,1283 6.995,1284 4.595,1285 8.591,1286 6.581,1287 10.232,1295 2.967,1296 3.425,1297 5.473,1300 2.167,1305 31.531,1306 73.891,1307 174.33,1308 212.794,1309 237.323,1310 240.078,1311 240.078,1312 30.117,1313 7.76,1314 78.96,1315 78.96,1316 29,1317 12.547,1318 4.524,1319 3.585,1320 37.403,1321 102,1322 94,1323 0.174,1324 190.731,1325 314.85,1326 457.143,1327 24575,1329 18.761,1330 0.67,1331 0.546,1332 18.761,1333 15.299,1334 13.848,1335 0.433,1336 0.291,1337 9.178,1338 13.282,1339 9.036,1340 7.437,1341 13.848,1342 9.324,1343 12.255,1344 0.279,1345 0.152,1346 12.255,1347 6.701,1348 10.576,1349 0.179,1350 0.081,1351 10.576,1352 4.79,1353 9.192,1354 0.116,1355 0.042,1356 9.192,1357 3.328,1358 7.507,1359 0.075,1360 0.022,1361 7.507,1362 2.219,1363 0.268,1364 86.845,1365 0.21,1366 26.53,1367 0.491,1368 152,1369 416.982,1370 166.785,1371 406.892,1372 574.75,1373 386,1374 179,1375 439.44,1376 194.674,1377 444.635,1378 651.55,1379 420,1380 5.027}
{0 CHEMBL1290176,1 1.659,2 9.724,3 4.308,4 18.555,5 109.967,6 8.135,7 0.667,8 4.015,9 4.135,10 3.665,11 3.539,12 5.158,13 3.552,14 4.538,15 4.699,16 4.023,17 3.924,18 5.68,19 3.922,20 4.753,21 4.959,22 4.008,23 4.019,24 5.819,25 3.98,26 4.738,27 4.975,28 3.93,29 3.949,30 5.776,31 3.896,32 4.658,33 4.887,34 3.942,35 3.902,36 5.777,37 3.867,38 4.618,39 4.81,40 3.951,41 3.949,42 5.682,43 3.918,44 4.733,45 4.944,46 4.003,47 4.024,48 5.832,49 3.966,50 4.797,51 5.017,52 3.906,53 4.062,54 5.776,55 3.975,56 0.097,57 0.846,58 8.399,59 3.943,60 8.202,61 4.775,62 0.335,63 1.341,64 16.681,65 6.574,66 23.52,67 8.01,68 0.469,69 1.572,70 23.449,71 8.155,72 39.104,73 10.51,74 0.411,75 1.515,76 24.138,77 7.989,78 39.622,79 11.046,80 0.542,81 1.428,82 22.175,83 7.056,84 47.731,85 9.728,86 0.302,87 1.428,88 18.98,89 6.97,90 25.29,91 8.964,92 0.546,93 1.554,94 22.774,95 8.429,96 41.019,97 11.456,98 0.351,99 1.557,100 25.299,101 10.239,102 37.319,103 13.37,104 2,105 46,106 0.278,107 0.64,108 0.781,109 0.865,110 0.865,111 0.865,112 3.409,113 0.857,114 -4.78,115 -4.69,116 -4.4,119 43.8,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 5,183 7,186 1,187 4,192 4,195 6,199 7,202 2,204 1,207 3,211 2,212 7,215 1,216 1,217 2,220 3,224 6,229 1,232 2,236 1,237 9,240 2,242 2,245 6,250 2,258 6,262 2,263 4,266 2,268 1,271 4,275 1386,276 20.118,277 20.118,278 20.118,279 20.118,280 20.118,281 17.597,282 21.569,283 12.015,284 20.688,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.556,291 35.524,292 5.802,293 17.321,294 3.926,295 1.761,296 0.917,297 0.417,298 0.417,299 0.417,300 4.124,304 1,305 1,306 632,307 2.345,310 70.523,311 343.366,314 119.682,318 1.427,319 27.055,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 63.5,331 282,332 4.434,333 3.194,334 6.32,335 3.989,336 3.039,337 4.367,338 0.86,339 9.735,340 2.909,341 4.368,342 2.984,343 6.195,344 3.914,345 2.936,346 4.044,347 0.8,348 9.263,349 2.867,350 4.026,351 2.974,352 6.033,353 3.67,354 2.727,355 3.571,356 0.4,357 8.707,358 2.549,359 3.742,360 2.728,361 5.51,362 3.418,363 2.477,364 3.096,366 7.44,367 2.325,368 3.582,369 2.521,370 5.1,371 3.179,372 2.234,373 2.89,375 6.245,376 2.103,377 3.347,378 2.29,379 4.926,380 2.925,381 1.979,382 2.637,384 5.699,385 1.863,386 3.034,387 2.04,388 4.419,389 2.624,390 1.722,391 2.301,393 4.378,394 1.545,395 2.923,396 1.542,397 4.356,398 2.517,399 1.534,400 2.018,402 4.194,403 1.507,404 2.789,405 1.534,406 4.134,407 2.318,408 1.363,409 1.887,411 3.563,412 1.293,413 2.589,414 1.358,415 3.493,416 2.082,417 1.129,418 1.631,420 2.619,421 1.074,422 2.547,423 1.256,424 3.469,425 2.045,426 1.087,427 1.569,428 2.476,429 1.039,430 2.198,431 1.11,432 3.449,433 1.952,434 1,435 1.171,436 2.445,437 0.946,438 2,439 1.044,440 3.247,441 1.913,442 1,443 1,445 2.136,446 0.905,447 1.956,448 0.524,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.264,457 0.19,458 2.906,459 0.892,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 13.519,466 0.466,467 0.602,468 0.021,469 41,470 1.414,471 21,472 0.724,473 20,474 0.69,475 21.041,476 0.726,477 30.281,478 0.631,479 30.305,480 1.045,481 8.243,482 0.284,483 6,484 0.207,485 0.021,487 0.325,491 1,493 0.739,494 1.16,495 0.683,496 1.031,497 0.576,498 0.879,499 0.988,500 1.008,501 0.878,502 0.954,503 0.648,504 0.909,505 1.112,506 1.096,507 1.061,508 0.99,509 0.977,510 1.006,511 0.833,512 1.025,513 0.955,514 0.977,515 0.809,516 0.975,517 0.8,518 0.83,519 0.897,520 0.79,521 0.765,522 0.833,523 0.986,524 1.122,525 1.042,526 1.059,527 0.86,528 1.045,529 0.591,530 0.783,531 0.93,532 1.002,533 0.582,534 1.032,535 0.847,536 1.003,537 1.015,538 1.153,539 0.873,540 1.138,541 5.5,542 0.117,543 2.444,544 1.507,545 1.195,546 0.872,547 0.575,548 0.306,549 0.286,550 0.223,551 11232,552 31504,553 2.215,554 39.6,556 16,558 1,559 2,564 1.726,565 2.148,566 3.292,567 0.262,569 1,573 79.619,574 1.659,575 3.824,576 4.668,577 5.168,578 5.168,579 5.168,580 2.66,581 4.651,582 4.83,583 3.466,584 1407.06,585 8.447,586 19080.8,588 1,590 1,591 268.078,592 1.091,593 4.82,594 0.167,595 0.005,596 0.053,597 0.034,598 0.03,599 0.021,600 0.014,601 0.007,602 0.007,603 0.007,604 0.345,605 0.17,606 0.88,607 0.335,608 145.837,609 -0.028,610 -0.117,611 0.058,612 -0.054,613 -0.032,614 0.007,615 -0.063,616 -0.013,617 -0.03,618 -0.002,619 0.022,620 -0.016,621 -0.153,622 -0.106,623 -0.124,624 -0.03,625 -0.097,626 -0.063,627 -0.053,628 -0.091,629 0.007,630 -0.035,631 -0.04,632 -0.004,633 0.073,634 0.141,635 0.061,636 0.138,637 0.056,638 0.109,639 -0.169,640 -0.108,641 -0.163,642 -0.108,643 -0.102,644 -0.12,645 0.202,646 0.167,647 -0.01,648 -0.026,649 0.14,650 -0.06,651 -0.046,652 -0.098,653 -0.065,654 -0.113,655 -0.06,656 -0.098,657 1.964,658 5.778,659 0.931,660 26.214,661 1.013,662 1.134,663 3.545,664 12.57,665 0.682,666 3.526,667 3.85,668 4.127,669 4.419,670 4.654,671 4.727,672 4.927,673 5.075,674 5.193,675 5.313,676 6.298,677 0.665,678 390.46,679 3.526,680 5.069,681 5.922,682 6.799,683 7.665,684 8.547,685 9.419,686 10.303,687 11.179,688 12.063,689 12.5,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,730 1,731 48,733 22,734 2,735 33,737 52,738 21,739 17,740 5,741 7,746 5,747 6,761 17,762 4,778 1,779 1,781 19,782 7,783 2,784 8,790 6,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,839 1,840 4,846 1,848 29,854 4,855 1,856 1,859 1,869 1,870 2.1,874 1,877 13.5,878 8.61,879 6.25,880 2.832,881 3.857,882 1.492,883 1.048,884 4.841,885 11.697,886 3.807,887 4.434,888 5.043,889 5.666,890 6.204,891 6.507,892 6.968,893 7.395,894 7.689,895 8.099,896 1,897 44,898 10.704,900 4.63,901 7.736,902 20.419,904 16.939,905 2.236,906 64.833,909 1,910 200.109,911 125.018,912 88.032,914 11,915 14.96,917 125.018,918 211.109,919 102.992,921 13.396,922 75.81,923 73.005,924 67.239,925 21.331,926 188.338,928 200.109,929 213.05,930 25.96,933 215.069,935 11,937 61.773,938 101.043,939 50.234,941 215.069,942 99.032,943 125.018,946 200.109,947 40.16,948 87.982,949 34.674,950 76.194,951 200.109,952 113.992,953 125.018,955 0.579,956 0.334,957 0.187,958 0.103,959 24,960 9,961 0.077,962 4,963 1,964 1.074,965 4.148,966 266.541,967 0.074,968 27,969 136.881,974 18.043,975 7.78,976 3.927,977 1.968,978 97.329,979 15.949,980 13.443,981 2.941,984 3.193,986 34.674,987 439.119,988 44,999 48.636,1000 54.445,1001 0.297,1002 0.685,1003 0.836,1004 0.925,1005 0.925,1006 0.925,1007 5.034,1008 1.534,1009 5.889,1010 4.378,1011 4.533,1012 5.121,1013 1.324,1014 6.673,1015 4.429,1016 6.233,1017 1.363,1018 7.421,1019 4.194,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.85,1025 7.532,1026 1.129,1027 9.049,1028 3.563,1029 6.098,1030 7.34,1031 0.958,1032 10.558,1033 5.906,1034 8.866,1035 1.087,1036 10.733,1037 2.619,1038 6.399,1039 7.923,1040 0.268,1041 12.164,1042 6.16,1043 10.231,1044 1,1045 12.455,1046 2.476,1047 7.926,1048 9.849,1049 0.736,1050 14.742,1051 7.655,1052 11.619,1053 1,1054 14.201,1055 2.445,1056 8.623,1057 10.85,1058 0.188,1059 16.699,1060 8.311,1061 13.024,1062 0.488,1063 15.964,1064 2.136,1065 9.903,1066 12.524,1067 0.57,1068 19.077,1069 9.558,1070 3.039,1071 -0.051,1072 17.741,1073 1.187,1074 10.797,1075 13.743,1076 0.125,1077 21.191,1078 10.415,1079 2.936,1080 9.735,1081 19.528,1082 -0.149,1083 11.966,1084 15.298,1085 0.439,1086 23.489,1087 11.551,1088 2.727,1089 9.263,1090 21.322,1091 4.367,1092 12.958,1093 16.63,1094 0.082,1095 25.674,1096 12.506,1097 2.477,1098 8.707,1099 23.122,1100 4.044,1101 14.078,1102 18.13,1103 0.334,1104 27.941,1105 13.593,1106 2.234,1107 7.44,1108 24.927,1109 3.571,1110 15.118,1111 19.521,1112 0.054,1113 30.16,1114 14.599,1115 1.979,1116 6.245,1117 26.736,1118 3.096,1119 16.218,1120 20.996,1121 0.252,1122 32.416,1123 15.665,1124 1.722,1125 5.699,1126 28.548,1127 2.89,1128 17.284,1129 22.419,1130 0.035,1131 34.652,1132 16.695,1133 10267,1134 17339,1135 23.057,1136 32.756,1137 49.737,1138 49.825,1139 49.675,1140 49.518,1141 49.434,1142 65.775,1143 4.12,1144 140.175,1145 46.782,1146 5.434,1147 5.194,1148 6.122,1149 5.092,1150 5.039,1151 7.367,1152 1.72,1153 16.249,1154 4.909,1155 7.12,1156 1.507,1157 1.51,1158 1.505,1159 1.501,1160 1.498,1161 1.993,1162 0.125,1163 4.248,1164 1.418,1165 4.106,1166 4.15,1167 4.068,1168 3.995,1169 8.201,1170 4.007,1171 3.981,1172 4.02,1173 3.945,1174 3.887,1175 5.106,1176 3.893,1177 3.803,1178 3.852,1179 3.737,1180 3.621,1181 4.984,1182 3.645,1183 3.64,1184 3.694,1185 3.549,1186 3.451,1187 4.618,1188 3.466,1189 3.368,1190 3.437,1191 3.301,1192 3.171,1193 4.582,1194 3.194,1195 3.111,1196 3.206,1197 2.902,1198 2.941,1199 4.423,1200 2.91,1201 2.987,1202 3.053,1203 2.872,1204 2.849,1205 3.977,1206 2.848,1207 2.953,1208 3.005,1209 2.866,1210 2.758,1211 3.868,1212 2.776,1213 0.134,1214 0.097,1215 0.192,1216 0.121,1217 0.092,1218 4.434,1219 0.132,1220 3.194,1221 0.026,1222 6.32,1223 0.295,1224 3.989,1225 0.088,1226 3.039,1227 4.367,1228 0.86,1229 9.735,1230 2.909,1231 1.959,1232 1.932,1233 2.038,1234 2.083,1235 1.202,1236 2.068,1237 1.912,1238 1.888,1239 2,1240 2.004,1241 1.153,1242 2.003,1243 1.734,1244 1.68,1245 1.917,1246 1.942,1247 1.094,1248 1.939,1249 1.563,1250 1.516,1251 1.688,1252 1.76,1253 0.825,1254 1.742,1255 1.31,1256 1.229,1257 1.513,1258 1.636,1259 0.732,1260 1.589,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.068,1268 1.014,1269 1.221,1270 1.28,1271 0.305,1272 1.266,1273 0.882,1274 0.827,1275 1.126,1276 1.136,1277 0.265,1278 1.13,1279 4.205,1281 5.525,1282 2.398,1283 7.04,1284 4.595,1285 8.64,1286 6.581,1287 10.284,1291 13.778,1295 2.695,1296 3.346,1297 5.44,1300 2.08,1305 31.914,1306 79.619,1307 183.549,1308 224.078,1309 248.078,1310 248.078,1311 248.078,1312 38.981,1313 7.84,1314 78.96,1315 78.96,1316 29,1317 12.598,1318 4.524,1319 3.585,1320 39.316,1321 108,1322 100,1323 0.173,1324 191.929,1325 320.92,1326 460.066,1327 26962,1328 2.1,1329 19.631,1330 0.677,1331 0.538,1332 18.761,1333 15.6,1334 14.242,1335 0.432,1336 0.286,1337 9.252,1338 13.557,1339 9.129,1340 7.487,1341 13.848,1342 9.424,1343 12.889,1344 0.28,1345 0.149,1346 12.255,1347 6.845,1348 10.903,1349 0.179,1350 0.079,1351 10.576,1352 4.841,1353 9.496,1354 0.116,1355 0.041,1356 9.192,1357 3.367,1358 7.736,1359 0.074,1360 0.022,1361 7.507,1362 2.238,1363 0.267,1364 90.074,1365 0.208,1366 27.288,1367 0.49,1368 158,1369 511.093,1370 176.616,1371 469.049,1372 646.12,1373 442,1374 186,1375 482.773,1376 204.584,1377 481.282,1378 705.1,1379 454,1380 5.022}
{0 CHEMBL1290286,1 1.659,2 9.724,3 4.767,4 22.72,5 114.555,6 8.477,7 0.667,8 4.011,9 4.128,10 3.7,11 3.566,12 5.12,13 3.564,14 4.534,15 4.691,16 4.071,17 3.96,18 5.626,19 3.939,20 4.746,21 4.946,22 4.061,23 4.064,24 5.751,25 4,26 4.733,27 4.966,28 3.984,29 3.99,30 5.718,31 3.916,32 4.653,33 4.876,34 4,35 3.939,36 5.702,37 3.886,38 4.613,39 4.8,40 4.005,41 3.991,42 5.622,43 3.938,44 4.727,45 4.933,46 4.087,47 4.054,48 5.743,49 3.985,50 4.791,51 5.006,52 3.988,53 4.114,54 5.706,55 4.002,56 0.079,57 0.767,58 7.971,59 3.845,60 6.681,61 4.726,62 0.305,63 1.225,64 16.406,65 6.572,66 20.604,67 8.032,68 0.398,69 1.42,70 25.077,71 8.461,72 29.142,73 10.895,74 0.354,75 1.414,76 25.208,77 8.335,78 31.446,79 11.352,80 0.472,81 1.309,82 23.464,83 7.306,84 37.252,85 9.918,86 0.249,87 1.295,88 19.605,89 7.104,90 18.995,91 9.154,92 0.438,93 1.381,94 23.798,95 8.478,96 31.28,97 11.384,98 0.286,99 1.382,100 26.717,101 10.471,102 28.551,103 13.797,104 2,105 46,106 0.278,107 0.64,108 0.781,109 0.865,110 0.865,111 0.865,112 3.409,113 0.891,114 -4.88,115 -4.79,116 -4.5,119 43.8,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 4,178 1,180 5,183 9,186 1,187 4,192 4,195 8,199 7,202 2,204 1,207 4,211 2,212 8,215 1,216 1,217 2,220 4,224 6,229 1,232 2,236 1,237 11,240 2,242 3,245 6,250 2,258 6,262 2,263 4,266 2,268 1,271 6,275 1386,276 20.118,277 20.118,278 20.118,279 20.118,280 20.118,281 17.597,282 21.543,283 12.015,284 20.761,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.556,291 35.503,292 5.802,293 17.467,294 3.926,295 1.761,296 0.917,297 0.417,298 0.417,299 0.417,300 4.124,301 1,304 1,305 1,306 632,307 2.345,310 70.523,311 343.366,314 119.682,318 1.427,319 20.491,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62.333,331 282,332 4.434,333 3.194,334 6.32,335 3.987,336 3.039,337 4.367,338 0.86,339 9.735,340 2.906,341 4.368,342 2.994,343 6.195,344 3.914,345 2.936,346 4.044,347 0.8,348 9.263,349 2.862,350 4.026,351 2.977,352 6.033,353 3.664,354 2.727,355 3.571,356 0.4,357 8.707,358 2.535,359 3.742,360 2.734,361 5.51,362 3.415,363 2.477,364 3.096,366 7.44,367 2.321,368 3.582,369 2.526,370 5.1,371 3.153,372 2.234,373 2.89,375 6.245,376 2.037,377 3.347,378 2.291,379 4.926,380 2.91,381 1.979,382 2.637,384 5.699,385 1.794,386 3.034,387 2.041,388 4.419,389 2.623,390 1.722,391 2.301,393 4.378,394 1.543,395 2.923,396 1.544,397 4.356,398 2.517,399 1.534,400 2.018,402 4.194,403 1.507,404 2.789,405 1.534,406 4.134,407 2.3,408 1.363,409 1.887,411 3.563,412 1.231,413 2.589,414 1.359,415 3.493,416 2.082,417 1.129,418 1.631,420 2.619,421 1.073,422 2.547,423 1.256,424 3.469,425 2.045,426 1.087,427 1.569,428 2.476,429 1.039,430 2.198,431 1.11,432 3.449,433 1.952,434 1,435 1.171,436 2.445,437 0.946,438 2,439 1.044,440 3.247,441 1.913,442 1,443 1,445 2.136,446 0.905,447 1.956,448 0.524,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.264,457 0.207,458 2.906,459 0.892,460 -0.051,461 -0.066,463 -0.149,464 -0.048,465 13.948,466 0.481,467 0.602,468 0.021,469 41,470 1.414,471 21,472 0.724,473 20,474 0.69,475 21.89,476 0.755,477 29.852,478 0.622,479 29.456,480 1.016,481 8.112,482 0.28,483 6.131,484 0.211,485 0.051,487 0.315,493 0.83,494 1.281,495 0.596,496 0.949,497 0.733,498 0.842,499 1.135,500 1.051,501 0.756,502 0.866,503 0.844,504 0.87,505 1.168,506 1.137,507 1.024,508 0.985,509 1.073,510 1.006,511 0.88,512 1.084,513 0.868,514 0.936,515 1.008,516 0.956,517 0.849,518 0.898,519 0.836,520 0.794,521 0.914,522 0.829,523 1.052,524 1.175,525 0.956,526 1.014,527 0.979,528 1.025,529 0.666,530 0.951,531 0.799,532 1.007,533 0.658,534 1.011,535 0.849,536 0.987,537 0.942,538 1.086,539 0.922,540 1.109,541 5.5,542 0.117,543 2.444,544 1.507,545 1.195,546 0.872,547 0.575,548 0.306,549 0.286,550 0.223,551 11232,552 31504,553 2.215,554 39.6,556 16,558 1,559 2,564 1.726,565 2.148,566 3.292,567 0.262,573 79.619,574 1.659,575 3.824,576 4.668,577 5.168,578 5.168,579 5.168,580 2.66,581 4.651,582 4.83,583 3.466,584 1407.06,585 8.447,586 19080.8,588 1,591 268.078,592 1.091,593 4.82,594 0.167,595 0.005,596 0.053,597 0.034,598 0.03,599 0.021,600 0.014,601 0.007,602 0.007,603 0.007,604 0.345,605 0.17,606 0.88,607 0.335,608 145.837,609 -0.022,610 -0.128,611 0.035,612 -0.046,613 -0.035,614 0.006,615 -0.066,616 0.047,617 -0.013,618 0.042,619 0.029,620 -0.001,621 -0.166,622 -0.111,623 -0.12,624 -0.038,625 -0.139,626 -0.071,627 -0.054,628 -0.059,629 0.008,630 -0.002,631 -0.068,632 0.005,633 0.086,634 0.157,635 0.049,636 0.126,637 0.076,638 0.105,639 -0.198,640 -0.096,641 -0.131,642 -0.091,643 -0.166,644 -0.116,645 0.174,646 0.07,647 0.043,648 -0.054,649 0.161,650 -0.053,651 -0.053,652 -0.065,653 -0.031,654 -0.061,655 -0.092,656 -0.077,657 0.992,658 2.092,659 0.931,660 26.214,661 1.009,662 1.126,663 3.654,664 13.354,665 0.702,666 3.526,667 3.85,668 4.127,669 4.419,670 4.654,671 4.727,672 4.927,673 5.075,674 5.193,675 5.313,676 6.298,677 0.674,678 406.91,679 3.526,680 5.069,681 5.922,682 6.799,683 7.665,684 8.547,685 9.419,686 10.303,687 11.179,688 12.063,689 12.5,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,730 1,731 48,733 22,734 2,735 33,737 52,738 21,739 17,740 5,741 7,746 5,747 6,748 1,761 17,762 4,781 19,782 6,783 2,784 8,785 1,790 6,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,839 1,840 4,845 1,848 29,854 4,855 1,856 1,859 1,869 1,870 2.1,874 1,877 13.5,878 8.61,879 6.25,880 2.832,881 3.857,882 1.492,883 1.043,884 5.062,885 11.697,886 3.807,887 4.434,888 5.043,889 5.666,890 6.204,891 6.507,892 6.968,893 7.395,894 7.689,895 8.099,896 1,897 44,898 10.661,900 4.558,901 7.602,902 20.559,904 17.048,905 2.102,906 60.944,909 1,910 200.109,911 119.397,912 88.032,913 39.149,914 11,917 119.397,918 250.257,919 88.032,921 13.396,922 75.81,923 73.005,924 61.618,925 6.371,926 188.338,927 39.149,928 200.109,929 207.43,930 11,931 39.149,933 200.109,935 11,937 61.773,938 95.422,939 89.383,941 200.109,942 99.032,943 158.546,946 200.109,947 34.54,948 87.982,949 34.674,950 100.383,951 200.109,952 99.032,953 158.546,955 0.579,956 0.334,957 0.187,958 0.103,959 24,960 9,961 0.077,962 4,963 1,964 1.074,965 4.148,966 266.541,967 0.074,968 27,969 136.881,974 18.372,975 7.991,976 4.055,977 2.027,978 82.369,979 17.457,980 13.634,981 2.964,984 4.77,986 34.674,987 457.687,988 44,999 48.447,1000 54.05,1001 0.297,1002 0.685,1003 0.836,1004 0.925,1005 0.925,1006 0.925,1007 5.034,1008 1.534,1009 5.889,1010 4.378,1011 4.533,1012 5.121,1013 1.324,1014 6.673,1015 4.415,1016 6.233,1017 1.363,1018 7.421,1019 4.194,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.811,1025 7.532,1026 1.129,1027 9.049,1028 3.563,1029 6.098,1030 7.34,1031 0.958,1032 10.558,1033 5.886,1034 8.866,1035 1.087,1036 10.733,1037 2.619,1038 6.399,1039 7.923,1040 0.268,1041 12.164,1042 6.127,1043 10.231,1044 1,1045 12.455,1046 2.476,1047 7.926,1048 9.849,1049 0.736,1050 14.742,1051 7.632,1052 11.619,1053 1,1054 14.201,1055 2.445,1056 8.623,1057 10.85,1058 0.188,1059 16.699,1060 8.282,1061 13.024,1062 0.488,1063 15.964,1064 2.136,1065 9.903,1066 12.524,1067 0.57,1068 19.077,1069 9.535,1070 3.039,1071 -0.051,1072 17.741,1073 1.187,1074 10.797,1075 13.743,1076 0.125,1077 21.191,1078 10.388,1079 2.936,1080 9.735,1081 19.528,1082 -0.149,1083 11.966,1084 15.298,1085 0.439,1086 23.489,1087 11.526,1088 2.727,1089 9.263,1090 21.322,1091 4.367,1092 12.958,1093 16.63,1094 0.082,1095 25.674,1096 12.481,1097 2.477,1098 8.707,1099 23.122,1100 4.044,1101 14.078,1102 18.13,1103 0.334,1104 27.941,1105 13.569,1106 2.234,1107 7.44,1108 24.927,1109 3.571,1110 15.118,1111 19.521,1112 0.054,1113 30.16,1114 14.573,1115 1.979,1116 6.245,1117 26.736,1118 3.096,1119 16.218,1120 20.996,1121 0.252,1122 32.416,1123 15.639,1124 1.722,1125 5.699,1126 28.548,1127 2.89,1128 17.284,1129 22.419,1130 0.035,1131 34.652,1132 16.668,1133 10267,1134 17339,1135 23.057,1136 33.676,1137 49.737,1138 49.872,1139 49.675,1140 49.631,1141 49.434,1142 65.775,1143 4.12,1144 140.175,1145 46.329,1146 5.434,1147 5.194,1148 6.122,1149 5.091,1150 5.039,1151 7.367,1152 1.72,1153 16.249,1154 4.906,1155 7.12,1156 1.507,1157 1.511,1158 1.505,1159 1.504,1160 1.498,1161 1.993,1162 0.125,1163 4.248,1164 1.404,1165 4.106,1166 4.149,1167 4.076,1168 3.996,1169 5.109,1170 4.007,1171 3.979,1172 4.017,1173 4.012,1174 3.898,1175 5.014,1176 3.899,1177 3.801,1178 3.846,1179 3.815,1180 3.628,1181 4.878,1182 3.649,1183 3.639,1184 3.691,1185 3.568,1186 3.454,1187 4.601,1188 3.467,1189 3.367,1190 3.436,1191 3.344,1192 3.172,1193 4.438,1194 3.195,1195 3.111,1196 3.206,1197 3.236,1198 2.941,1199 4.304,1200 2.91,1201 2.986,1202 3.052,1203 2.874,1204 2.855,1205 3.973,1206 2.852,1207 2.948,1208 2.999,1209 2.866,1210 2.803,1211 3.862,1212 2.792,1213 0.134,1214 0.097,1215 0.192,1216 0.121,1217 0.092,1218 4.434,1219 0.132,1220 3.194,1221 0.026,1222 6.32,1223 0.295,1224 3.987,1225 0.088,1226 3.039,1227 4.367,1228 0.86,1229 9.735,1230 2.906,1231 1.96,1232 1.933,1233 2.036,1234 2.081,1235 1.203,1236 2.067,1237 1.913,1238 1.891,1239 1.995,1240 2.001,1241 1.153,1242 2.001,1243 1.734,1244 1.682,1245 1.915,1246 1.933,1247 1.103,1248 1.936,1249 1.564,1250 1.518,1251 1.685,1252 1.753,1253 0.825,1254 1.739,1255 1.31,1256 1.229,1257 1.513,1258 1.635,1259 0.737,1260 1.589,1261 1.153,1262 1.064,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.068,1268 1.014,1269 1.221,1270 1.279,1271 0.305,1272 1.265,1273 0.882,1274 0.828,1275 1.122,1276 1.134,1277 0.265,1278 1.129,1279 4.205,1281 5.525,1282 2.398,1283 7.04,1284 4.595,1285 8.64,1286 6.581,1287 10.284,1290 6.203,1295 2.869,1296 3.406,1297 5.472,1300 2.141,1305 32.358,1306 79.619,1307 183.549,1308 224.078,1309 248.078,1310 248.078,1311 248.078,1312 33.881,1313 7.84,1314 78.96,1315 78.96,1316 29,1317 12.598,1318 4.524,1319 3.585,1320 39.316,1321 108,1322 100,1323 0.173,1324 199.064,1325 330.06,1326 477.475,1327 26962,1328 2.1,1329 19.631,1330 0.677,1331 0.564,1332 20.131,1333 16.356,1334 14.242,1335 0.432,1336 0.297,1337 9.308,1338 13.367,1339 9.129,1340 7.487,1341 14.531,1342 9.802,1343 12.889,1344 0.28,1345 0.158,1346 13.297,1347 7.282,1348 10.903,1349 0.179,1350 0.083,1351 11.165,1352 5.076,1353 9.496,1354 0.116,1355 0.043,1356 9.75,1357 3.558,1358 7.736,1359 0.074,1360 0.023,1361 7.95,1362 2.366,1363 0.267,1364 92.383,1365 0.208,1366 27.288,1367 0.49,1368 158,1369 451.185,1370 188.304,1371 469.049,1372 646.12,1373 442,1374 186,1375 466.303,1376 211.433,1377 481.282,1378 705.1,1379 454,1380 4.886}
{0 CHEMBL1290287,1 1.59,2 10.233,3 4.086,4 16.693,5 116.214,6 7.74,7 0.647,8 4.085,9 4.204,10 3.699,11 3.588,12 5.19,13 3.596,14 4.612,15 4.778,16 4.038,17 3.967,18 5.676,19 3.959,20 4.789,21 4.987,22 4.039,23 4.08,24 5.781,25 4.034,26 4.815,27 5.046,28 3.971,29 4.047,30 5.783,31 3.979,32 4.779,33 5.014,34 3.981,35 4.013,36 5.775,37 3.955,38 4.722,39 4.919,40 3.994,41 4.042,42 5.703,43 3.994,44 4.827,45 5.043,46 4.035,47 4.108,48 5.811,49 4.039,50 4.886,51 5.106,52 3.97,53 4.145,54 5.784,55 4.052,56 0.072,57 0.826,58 10.136,59 4.32,60 8.628,61 5.524,62 0.362,63 1.298,64 19.996,65 7.083,66 25.949,67 9.088,68 0.38,69 1.503,70 24.852,71 8.432,72 28.936,73 11.567,74 0.334,75 1.534,76 26.352,77 8.745,78 32.893,79 12.623,80 0.496,81 1.461,82 26.061,83 8.302,84 40.037,85 12.087,86 0.246,87 1.441,88 22.493,89 7.89,90 22.563,91 10.959,92 0.493,93 1.534,94 26.256,95 9.3,96 35.485,97 13.119,98 0.278,99 1.545,100 28.314,101 10.921,102 30.076,103 15.018,104 3,105 47,106 0.262,107 0.627,108 0.785,109 0.861,110 0.861,111 0.861,112 3.441,113 0.869,114 -4.14,115 -4.08,116 -3.86,119 42.3,124 1,125 4,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 6,178 1,180 5,183 7,186 1,187 6,192 4,195 6,199 8,202 2,204 1,207 3,211 3,212 8,215 1,216 1,217 2,220 3,224 6,229 1,232 2,236 3,237 9,240 3,242 2,245 6,250 2,258 6,262 2,263 6,266 2,268 1,271 4,275 1522,276 20.988,277 20.988,278 20.988,279 20.988,280 20.988,281 18.519,282 24.255,283 12.517,284 21.674,285 16.807,286 16.807,287 16.807,288 16.807,289 16.807,290 12.979,291 39.513,292 5.948,293 17.816,294 4.11,295 1.896,296 0.938,297 0.476,298 0.476,299 0.476,300 4.156,304 1,305 1,306 685,307 2.55,310 73.671,311 358.428,314 125.024,318 1.449,319 20.375,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 65,331 307,332 4.434,333 3.192,334 6.321,335 3.991,336 3.041,337 4.367,338 0.86,339 9.743,340 2.911,341 4.37,342 2.979,343 6.195,344 3.915,345 2.936,346 4.046,347 0.86,348 9.264,349 2.87,350 4.042,351 2.941,352 6.038,353 3.682,354 2.74,355 3.587,356 0.8,357 8.735,358 2.562,359 3.742,360 2.716,361 5.516,362 3.426,363 2.487,364 3.097,365 0.4,366 7.462,367 2.331,368 3.618,369 2.516,370 5.279,371 3.241,372 2.296,373 2.919,375 6.703,376 2.165,377 3.363,378 2.291,379 4.986,380 2.951,381 2.002,382 2.648,384 5.869,385 1.895,386 3.034,387 2.043,388 4.43,389 2.625,390 1.723,391 2.301,393 4.399,394 1.547,395 2.932,396 1.574,397 4.356,398 2.517,399 1.534,400 2.044,402 4.194,403 1.507,404 2.816,405 1.534,406 4.178,407 2.367,408 1.413,409 1.905,411 3.66,412 1.343,413 2.589,414 1.381,415 3.496,416 2.083,417 1.133,418 1.631,420 2.628,421 1.075,422 2.547,423 1.256,424 3.477,425 2.046,426 1.088,427 1.57,428 2.486,429 1.039,430 2.198,431 1.11,432 3.449,433 1.952,434 1,435 1.171,436 2.445,437 0.946,438 2,439 1.046,440 3.247,441 1.913,442 1,443 1,445 2.136,446 0.905,447 1.956,448 0.934,449 3.1,450 1.449,451 0.488,452 0.707,454 1.187,455 0.468,456 1.583,457 0.524,458 2.906,459 1.293,460 0.428,461 0.48,463 0.621,464 0.366,465 14.067,466 0.469,467 0.564,468 0.019,469 42.25,470 1.408,471 21.5,472 0.717,473 20.75,474 0.692,475 22.36,476 0.745,477 31.533,478 0.606,479 31.472,480 1.049,481 8.524,482 0.284,483 6.257,484 0.209,485 0.036,487 0.313,493 0.903,494 1.343,495 0.737,496 1.104,497 0.827,498 0.925,499 1.331,500 1.008,501 0.924,502 0.875,503 1.051,504 0.849,505 1.164,506 1.162,507 1.049,508 1.001,509 1.079,510 1.004,511 0.848,512 1.133,513 0.991,514 1.041,515 1.055,516 1.027,517 0.774,518 0.896,519 0.885,520 0.821,521 0.898,522 0.849,523 0.991,524 1.213,525 1.038,526 1.089,527 0.972,528 1.059,529 0.677,530 0.921,531 0.967,532 0.988,533 0.776,534 1.011,535 0.855,536 1.078,537 1.002,538 1.16,539 0.895,540 1.121,541 5.5,542 0.125,543 2.444,544 1.507,545 1.235,546 0.934,547 0.575,548 0.321,549 0.307,550 0.223,551 12203,552 31611,553 2.207,554 42.3,556 19,558 1,559 2,564 1.735,565 2.143,566 3.349,567 0.243,569 1,573 82.698,574 1.59,575 3.805,576 4.763,577 5.224,578 5.224,579 5.224,580 2.727,581 4.64,582 4.878,583 3.513,584 1528.12,585 8.546,586 21245.4,588 1,590 1,591 296.423,592 1.075,593 4.87,594 0.162,595 0.004,596 0.052,597 0.033,598 0.029,599 0.022,600 0.013,601 0.007,602 0.007,603 0.006,604 0.336,605 0.33,606 0.88,607 0.491,608 152.703,609 -0.013,610 -0.167,611 0.075,612 -0.091,613 -0.011,614 -0.009,615 -0.111,616 0.086,617 -0.003,618 0.094,619 -0.01,620 0.059,621 -0.156,622 -0.108,623 -0.114,624 -0.031,625 -0.128,626 -0.062,627 -0.05,628 -0.095,629 -0.039,630 -0.082,631 -0.096,632 -0.061,633 0.11,634 0.14,635 0.087,636 0.129,637 0.099,638 0.11,639 -0.155,640 -0.129,641 -0.132,642 -0.117,643 -0.135,644 -0.114,645 0.164,646 0.118,647 -0.029,648 -0.007,649 0.099,650 -0.041,651 -0.047,652 -0.124,653 -0.057,654 -0.125,655 -0.063,656 -0.098,657 0.981,658 1.987,659 0.9,660 28.316,661 1.006,662 1.129,663 2.906,664 8.444,665 0.674,666 3.555,667 3.871,668 4.159,669 4.443,670 4.682,671 4.762,672 4.963,673 5.112,674 5.231,675 5.371,676 6.469,677 0.649,678 402.5,679 3.555,680 5.094,681 5.948,682 6.823,683 7.691,684 8.571,685 9.445,686 10.328,687 11.205,688 12.089,689 11.5,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,729 1,731 52,733 22,734 2,735 34,737 56,738 22,739 17,740 5,741 7,746 5,747 6,761 17,762 5,778 1,781 22,782 7,783 2,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 30,854 4,855 1,856 2,859 1,870 3.8,874 1,875 1,877 14,878 9.633,879 6.583,880 3.004,881 3.891,882 1.492,883 1.027,884 5.322,885 11.805,886 3.829,887 4.446,888 5.062,889 5.682,890 6.222,891 6.532,892 6.996,893 7.419,894 7.716,895 8.14,896 0.857,897 46,898 11.032,900 4.663,901 7.578,902 21.307,904 17.458,905 2.078,906 62.333,908 1,909 1,910 235.422,911 132.023,912 88.032,914 22,917 132.023,918 257.422,919 88.032,920 10.883,921 13.396,922 75.81,923 73.005,924 74.361,925 6.371,926 223.651,928 235.422,929 220.055,930 22,933 235.422,934 11,935 11,937 61.773,938 108.048,939 50.234,941 235.422,942 110.032,943 132.023,946 235.422,947 36.283,948 98.865,949 34.674,950 72.234,951 235.422,952 110.032,953 132.023,955 0.574,956 0.338,957 0.188,958 0.103,959 24,960 9,961 0.089,962 5,963 1,964 1.074,965 4.222,966 278.336,967 0.074,968 27,969 143.207,974 19.005,975 8.402,976 4.171,977 2.032,978 93.369,979 17.694,980 13.702,981 2.97,984 4.945,986 34.674,987 477.477,988 45,999 52.334,1000 58.73,1001 0.279,1002 0.667,1003 0.836,1004 0.916,1005 0.916,1006 0.916,1007 5.053,1008 1.534,1009 5.911,1010 4.399,1011 4.554,1012 5.133,1013 1.656,1014 6.696,1015 4.449,1016 6.247,1017 1.413,1018 7.444,1019 4.194,1020 4.007,1021 4.856,1022 0.325,1023 7.486,1024 3.863,1025 7.544,1026 1.133,1027 9.072,1028 3.66,1029 6.12,1030 7.349,1031 1.308,1032 10.583,1033 5.927,1034 8.878,1035 1.088,1036 10.758,1037 2.628,1038 6.415,1039 7.932,1040 0.268,1041 12.193,1042 6.183,1043 10.244,1044 1,1045 12.48,1046 2.486,1047 7.948,1048 9.857,1049 1.064,1050 14.765,1051 7.677,1052 11.632,1053 1,1054 14.226,1055 2.445,1056 8.643,1057 10.859,1058 0.188,1059 16.722,1060 8.335,1061 13.037,1062 0.488,1063 15.99,1064 2.136,1065 9.924,1066 12.532,1067 0.862,1068 19.096,1069 9.58,1070 3.041,1071 0.428,1072 17.766,1073 1.187,1074 10.817,1075 13.751,1076 0.125,1077 21.209,1078 10.438,1079 2.936,1080 9.743,1081 19.552,1082 0.621,1083 11.985,1084 15.305,1085 0.69,1086 23.506,1087 11.572,1088 2.74,1089 9.264,1090 21.345,1091 4.367,1092 12.977,1093 16.637,1094 0.082,1095 25.691,1096 12.528,1097 2.487,1098 8.735,1099 23.144,1100 4.046,1101 14.096,1102 18.136,1103 0.544,1104 27.956,1105 13.615,1106 2.296,1107 7.462,1108 24.948,1109 3.587,1110 15.137,1111 19.527,1112 0.054,1113 30.175,1114 14.62,1115 2.002,1116 6.703,1117 26.755,1118 3.097,1119 16.236,1120 21.001,1121 0.424,1122 32.431,1123 15.687,1124 1.723,1125 5.869,1126 28.566,1127 2.919,1128 17.301,1129 22.424,1130 0.035,1131 34.667,1132 16.717,1133 11216,1134 18197,1135 23.75,1136 35.034,1137 50.742,1138 51.274,1139 51.005,1140 50.578,1141 50.614,1142 66.947,1143 5.84,1144 143.064,1145 47.857,1146 5.434,1147 5.192,1148 6.123,1149 5.094,1150 5.041,1151 7.367,1152 1.72,1153 16.265,1154 4.911,1155 7.463,1156 1.492,1157 1.508,1158 1.5,1159 1.488,1160 1.489,1161 1.969,1162 0.172,1163 4.208,1164 1.408,1165 4.107,1166 4.15,1167 4.068,1168 3.995,1169 5.108,1170 4.007,1171 3.982,1172 4.019,1173 3.943,1174 3.888,1175 4.999,1176 3.895,1177 3.805,1178 3.85,1179 3.735,1180 3.622,1181 4.818,1182 3.646,1183 3.644,1184 3.695,1185 3.55,1186 3.453,1187 4.601,1188 3.468,1189 3.372,1190 3.44,1191 3.304,1192 3.172,1193 4.441,1194 3.196,1195 3.239,1196 3.306,1197 3.066,1198 2.967,1199 4.35,1200 2.977,1201 3.111,1202 3.206,1203 2.874,1204 2.941,1205 3.976,1206 2.91,1207 2.985,1208 3.051,1209 2.866,1210 2.844,1211 3.866,1212 2.842,1213 0.13,1214 0.094,1215 0.186,1216 0.117,1217 0.089,1218 4.434,1219 0.128,1220 3.192,1221 0.025,1222 6.321,1223 0.287,1224 3.991,1225 0.086,1226 3.041,1227 4.367,1228 0.86,1229 9.743,1230 2.911,1231 1.96,1232 1.933,1233 2.04,1234 2.084,1235 1.203,1236 2.069,1237 1.913,1238 1.891,1239 2.002,1240 2.005,1241 1.154,1242 2.004,1243 1.735,1244 1.683,1245 1.918,1246 1.946,1247 1.105,1248 1.942,1249 1.566,1250 1.52,1251 1.696,1252 1.767,1253 0.825,1254 1.749,1255 1.31,1256 1.229,1257 1.564,1258 1.637,1259 0.741,1260 1.59,1261 1.194,1262 1.122,1263 1.513,1264 1.503,1265 0.57,1266 1.523,1267 1.153,1268 1.064,1269 1.464,1270 1.376,1271 0.408,1272 1.429,1273 1.065,1274 1.008,1275 1.221,1276 1.278,1277 0.305,1278 1.264,1279 4.234,1281 5.549,1282 2.398,1283 7.062,1284 4.595,1285 8.662,1286 6.581,1287 10.306,1289 1.664,1295 2.878,1296 3.422,1297 10.874,1300 2.15,1305 33.772,1306 82.698,1307 197.84,1308 247.668,1309 271.668,1310 271.668,1311 271.668,1312 34.553,1313 7.914,1314 88.19,1315 88.19,1316 29,1317 12.623,1318 4.524,1319 3.585,1320 41.279,1321 115,1322 112,1323 0.171,1324 204.319,1325 340.94,1326 490.299,1327 29543,1329 20.338,1330 0.678,1331 0.554,1332 20.338,1333 16.63,1334 14.78,1335 0.435,1336 0.29,1337 9.659,1338 14.057,1339 9.471,1340 7.813,1341 14.78,1342 9.847,1343 13.058,1344 0.278,1345 0.15,1346 13.058,1347 7.067,1348 11.326,1349 0.18,1350 0.081,1351 11.326,1352 5.086,1353 9.718,1354 0.116,1355 0.042,1356 9.718,1357 3.502,1358 7.969,1359 0.074,1360 0.022,1361 7.969,1362 2.346,1363 0.264,1364 93.551,1365 0.205,1366 28.084,1367 0.483,1368 162,1369 472.717,1370 179.663,1371 453.258,1372 635.12,1373 430,1374 191,1375 479.985,1376 209.332,1377 485.309,1378 709.33,1379 456,1380 4.824}
{0 CHEMBL1290402,1 1.564,2 10.233,3 3.981,4 15.848,5 115.488,6 8.112,7 0.647,8 4.027,9 4.147,10 3.68,11 3.576,12 5.191,13 3.583,14 4.541,15 4.7,16 4.023,17 3.962,18 5.638,19 3.95,20 4.757,21 4.96,22 4.027,23 4.074,24 5.797,25 4.024,26 4.765,27 5.002,28 3.955,29 4.012,30 5.801,31 3.95,32 4.677,33 4.903,34 3.963,35 3.958,36 5.762,37 3.917,38 4.641,39 4.832,40 3.978,41 4.003,42 5.722,43 3.964,44 4.749,45 4.958,46 4.01,47 4.072,48 5.786,49 4.013,50 4.816,51 5.034,52 3.951,53 4.12,54 5.818,55 4.027,56 0.069,57 0.802,58 8.426,59 3.848,60 10.771,61 4.726,62 0.287,63 1.272,64 16.535,65 6.49,66 20.544,67 8.004,68 0.341,69 1.503,70 22.76,71 8.186,72 30.611,73 10.819,74 0.334,75 1.514,76 24.355,77 8.146,78 40.035,79 11.381,80 0.413,81 1.401,82 22.006,83 7.164,84 39.228,85 9.935,86 0.244,87 1.39,88 19.018,89 6.948,90 29.3,91 9.13,92 0.32,93 1.485,94 22.584,95 8.487,96 31.672,97 11.453,98 0.309,99 1.509,100 25.154,101 10.196,102 39.087,103 13.695,104 3,105 47,106 0.259,107 0.644,108 0.78,109 0.861,110 0.861,111 0.861,112 3.441,113 0.857,114 -4.06,115 -4.01,116 -3.8,119 44.9,125 4,142 8,143 3,144 1,145 1,146 1,147 1,150 1,152 1,158 1,168 1,172 8,174 3,175 5,178 1,180 5,183 9,186 1,187 6,192 4,195 7,199 10,202 2,204 1,207 4,211 2,212 8,215 1,216 1,217 2,220 3,223 1,224 9,229 2,232 2,236 1,237 9,240 2,242 2,245 6,249 2,250 2,253 1,258 8,262 2,263 5,266 2,268 1,271 6,275 1522,276 20.988,277 20.988,278 20.988,279 20.988,280 20.988,281 18.427,282 23.266,283 12.517,284 21.505,285 16.807,286 16.807,287 16.807,288 16.807,289 16.807,290 12.796,291 37.206,292 5.948,293 17.649,294 4.05,295 1.725,296 0.898,297 0.408,298 0.408,299 0.408,300 4.156,304 1,305 1,306 685,307 2.55,310 73.671,311 358.428,314 125.024,318 1.449,319 22.618,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 64.5,331 307,332 4.434,333 4.058,334 6.321,335 3.993,336 3.041,337 4.367,338 2.035,339 9.743,340 2.918,341 4.375,342 3.188,343 6.195,344 3.915,345 2.936,346 4.054,347 0.86,348 9.264,349 2.875,350 4.089,351 2.978,352 6.038,353 3.692,354 2.74,355 3.631,356 0.8,357 8.735,358 2.587,359 3.76,360 2.85,361 5.516,362 3.432,363 2.487,364 3.101,365 0.4,366 7.462,367 2.346,368 3.726,369 2.633,370 5.279,371 3.271,372 2.296,373 2.99,375 6.703,376 2.234,377 3.409,378 2.363,379 4.986,380 2.96,381 2.002,382 2.669,384 5.869,385 1.915,386 3.116,387 2.241,388 4.43,389 2.625,390 1.723,391 2.301,393 4.399,394 1.548,395 3.034,396 2.02,397 4.356,398 2.517,399 1.534,400 2.112,402 4.194,403 1.507,404 2.901,405 1.534,406 4.178,407 2.383,408 1.413,409 1.927,411 3.66,412 1.369,413 2.677,414 1.506,415 3.496,416 2.084,417 1.133,418 1.632,420 2.628,421 1.075,422 2.588,423 1.332,424 3.477,425 2.046,426 1.088,427 1.571,428 2.486,429 1.039,430 2.545,431 1.256,432 3.449,433 1.952,434 1,435 1.172,436 2.445,437 0.946,438 2.198,439 1.11,440 3.247,441 1.913,442 1,443 1,445 2.136,446 0.905,447 2,448 1.044,449 3.1,450 1.449,451 0.488,452 0.87,454 1.187,455 0.468,456 1.956,457 0.524,458 2.906,459 1.373,460 0.428,461 0.707,463 0.621,464 0.403,465 14.133,466 0.471,467 0.564,468 0.019,469 44.5,470 1.483,471 24,472 0.8,473 20.5,474 0.683,475 21.139,476 0.705,477 30.267,478 0.618,479 32.694,480 1.09,481 8.754,482 0.292,483 6.027,484 0.201,485 0.028,487 0.311,493 0.877,494 1.244,495 0.701,496 1.006,497 0.565,498 0.857,499 1.198,500 1.01,501 0.909,502 0.919,503 0.633,504 0.89,505 1.138,506 1.133,507 1.044,508 1.008,509 0.75,510 1.013,511 0.918,512 1.056,513 0.987,514 0.964,515 1.017,516 0.969,517 0.908,518 0.923,519 0.914,520 0.808,521 0.875,522 0.837,523 1.054,524 1.122,525 1.057,526 1.038,527 0.835,528 1.033,529 0.83,530 1.003,531 0.979,532 1.03,533 0.729,534 1.024,535 0.775,536 0.913,537 1.013,538 1.109,539 0.669,540 1.111,541 5.5,542 0.125,543 2.444,544 1.507,545 1.235,546 0.934,547 0.575,548 0.321,549 0.307,550 0.223,551 12203,552 33469,553 2.207,554 38.8,556 16,558 1,559 2,564 1.735,565 2.143,566 3.349,567 0.243,569 1,573 76.651,574 1.564,575 3.89,576 4.717,577 5.207,578 5.207,579 5.207,580 2.727,581 4.64,582 4.878,583 3.513,584 1528.12,585 8.546,586 21245.4,588 1,590 1,591 275.121,592 1.075,593 4.87,594 0.162,595 0.004,596 0.052,597 0.033,598 0.029,599 0.022,600 0.013,601 0.007,602 0.007,603 0.006,604 0.336,605 0.33,606 0.88,607 0.491,608 152.703,609 -0.014,610 -0.121,611 0.062,612 -0.05,613 0.043,614 0.006,615 -0.06,616 0.06,617 -0.04,618 0.031,619 -0.007,620 -0.004,621 -0.138,622 -0.123,623 -0.105,624 -0.041,625 -0.045,626 -0.066,627 -0.062,628 -0.048,629 -0.004,630 -0.011,631 -0.088,632 0.003,633 0.054,634 0.113,635 0.059,636 0.13,637 0.005,638 0.107,639 -0.169,640 -0.056,641 -0.164,642 -0.096,643 -0.049,644 -0.118,645 0.028,646 -0.001,647 -0.043,648 -0.049,649 0.029,650 -0.053,651 0.04,652 0.015,653 -0.05,654 -0.074,655 0.075,656 -0.079,657 1.07,658 3.261,659 0.9,660 28.316,661 1.007,662 1.126,663 2.833,664 8.028,665 0.695,666 3.555,667 3.871,668 4.159,669 4.443,670 4.682,671 4.762,672 4.963,673 5.112,674 5.231,675 5.371,676 6.469,677 0.674,678 397.48,679 3.555,680 5.094,681 5.948,682 6.823,683 7.691,684 8.571,685 9.445,686 10.328,687 11.205,688 12.089,689 14.3,695 1,697 2,698 1,699 3,703 2,704 9,705 3,706 1,709 6,711 22,713 1,724 1,726 1,731 49,733 23,734 2,735 34,737 53,738 22,739 17,740 5,741 7,746 5,747 6,760 1,761 17,762 4,778 1,781 19,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,854 4,855 1,856 1,859 1,861 1,866 1,868 1,870 2,874 1,877 14,878 8.917,879 6.583,880 2.908,881 4.077,882 1.515,883 1.036,884 5.023,885 11.991,886 3.871,887 4.469,888 5.099,889 5.712,890 6.257,891 6.58,892 7.05,893 7.467,894 7.769,895 8.218,896 0.857,897 46,898 11.013,900 4.701,901 7.678,902 21.106,904 17.414,905 2.178,906 65.333,908 1,909 1,910 200.109,911 135.684,912 119.091,914 11,917 135.684,918 211.109,919 119.091,921 13.396,922 75.81,923 89.607,924 92.362,925 6.371,926 188.338,928 200.109,929 254.776,930 11,933 200.109,935 11,937 92.833,938 111.709,939 50.234,941 200.109,942 130.091,943 135.684,946 200.109,947 34.225,948 87.982,949 51.276,950 92.293,951 200.109,952 130.091,953 135.684,955 0.574,956 0.338,957 0.188,958 0.103,959 24,960 9,961 0.075,962 4,963 1,964 1.074,965 4.222,966 278.336,967 0.074,968 27,969 143.207,974 18.566,975 8.117,976 4.001,977 1.996,978 113.428,979 17.111,980 13.6,981 2.956,984 4.47,986 34.674,987 465.884,988 47,999 49.342,1000 55.189,1001 0.279,1002 0.693,1003 0.84,1004 0.927,1005 0.927,1006 0.927,1007 5.103,1008 1.534,1009 5.911,1010 4.399,1011 4.554,1012 5.156,1013 2.488,1014 6.696,1015 4.465,1016 6.307,1017 1.413,1018 7.444,1019 4.194,1020 4.007,1021 4.856,1022 0.325,1023 7.486,1024 3.888,1025 7.606,1026 1.133,1027 9.072,1028 3.66,1029 6.12,1030 7.375,1031 3.608,1032 10.583,1033 5.953,1034 8.939,1035 1.088,1036 10.758,1037 2.628,1038 6.415,1039 7.948,1040 0.268,1041 12.193,1042 6.218,1043 10.303,1044 1,1045 12.48,1046 2.486,1047 7.948,1048 9.881,1049 4.97,1050 14.765,1051 7.71,1052 11.69,1053 1,1054 14.226,1055 2.445,1056 8.643,1057 10.879,1058 0.188,1059 16.722,1060 8.374,1061 13.093,1062 0.488,1063 15.99,1064 2.136,1065 9.924,1066 12.553,1067 6.379,1068 19.096,1069 9.617,1070 3.041,1071 0.428,1072 17.766,1073 1.187,1074 10.817,1075 13.771,1076 0.125,1077 21.209,1078 10.478,1079 2.936,1080 9.743,1081 19.552,1082 0.621,1083 11.985,1084 15.324,1085 7.797,1086 23.506,1087 11.612,1088 2.74,1089 9.264,1090 21.345,1091 4.367,1092 12.977,1093 16.655,1094 0.082,1095 25.691,1096 12.571,1097 2.487,1098 8.735,1099 23.144,1100 4.054,1101 14.096,1102 18.153,1103 9.217,1104 27.956,1105 13.657,1106 2.296,1107 7.462,1108 24.948,1109 3.631,1110 15.137,1111 19.544,1112 0.054,1113 30.175,1114 14.664,1115 2.002,1116 6.703,1117 26.755,1118 3.101,1119 16.236,1120 21.016,1121 10.638,1122 32.431,1123 15.731,1124 1.723,1125 5.869,1126 28.566,1127 2.99,1128 17.301,1129 22.438,1130 0.035,1131 34.667,1132 16.763,1133 11216,1134 18713,1135 23.75,1136 34.063,1137 52.144,1138 53.799,1139 51.005,1140 50.621,1141 50.614,1142 68.205,1143 8.189,1144 143.064,1145 48.268,1146 5.434,1147 6.058,1148 6.123,1149 5.096,1150 5.041,1151 7.367,1152 4.069,1153 16.265,1154 4.918,1155 7.463,1156 1.534,1157 1.582,1158 1.5,1159 1.489,1160 1.489,1161 2.006,1162 0.241,1163 4.208,1164 1.42,1165 4.107,1166 4.15,1167 4.069,1168 3.997,1169 6.82,1170 4.008,1171 3.987,1172 4.024,1173 3.95,1174 3.906,1175 5.107,1176 3.91,1177 3.812,1178 3.861,1179 3.749,1180 3.635,1181 4.987,1182 3.66,1183 3.647,1184 3.7,1185 3.554,1186 3.458,1187 4.653,1188 3.473,1189 3.372,1190 3.441,1191 3.309,1192 3.177,1193 4.595,1194 3.201,1195 3.172,1196 3.225,1197 3.137,1198 3.019,1199 4.425,1200 3.04,1201 3.111,1202 3.206,1203 2.874,1204 2.941,1205 3.979,1206 2.91,1207 2.984,1208 3.05,1209 2.866,1210 2.843,1211 3.872,1212 2.841,1213 0.13,1214 0.119,1215 0.186,1216 0.117,1217 0.089,1218 4.434,1219 0.128,1220 4.058,1221 0.06,1222 6.321,1223 0.287,1224 3.993,1225 0.086,1226 3.041,1227 4.367,1228 2.035,1229 9.743,1230 2.918,1231 1.968,1232 1.941,1233 2.046,1234 2.084,1235 1.203,1236 2.071,1237 1.922,1238 1.898,1239 2.007,1240 2.005,1241 1.154,1242 2.006,1243 1.742,1244 1.689,1245 1.919,1246 1.947,1247 1.111,1248 1.944,1249 1.573,1250 1.526,1251 1.696,1252 1.765,1253 0.825,1254 1.749,1255 1.31,1256 1.229,1257 1.513,1258 1.636,1259 0.741,1260 1.59,1261 1.153,1262 1.078,1263 1.464,1264 1.376,1265 0.408,1266 1.429,1267 1.123,1268 1.064,1269 1.232,1270 1.305,1271 0.306,1272 1.284,1273 1.052,1274 0.997,1275 1.216,1276 1.26,1277 0.266,1278 1.245,1279 4.234,1281 5.549,1282 2.398,1283 7.062,1284 4.595,1285 8.662,1286 6.581,1287 10.306,1295 2.777,1296 3.388,1297 5.468,1300 2.117,1303 9.261,1304 2.189,1305 33.025,1306 76.651,1307 190.591,1308 231.121,1309 255.121,1310 255.121,1311 255.121,1312 37.251,1313 7.914,1314 102.75,1315 102.75,1316 29,1317 12.623,1318 4.585,1319 3.807,1320 41.279,1321 115,1322 112,1323 0.171,1324 201.263,1325 337.87,1326 482.841,1327 29543,1329 20.338,1330 0.678,1331 0.539,1332 20.338,1333 16.169,1334 14.78,1335 0.435,1336 0.286,1337 9.555,1338 14.17,1339 9.401,1340 7.737,1341 14.78,1342 9.709,1343 13.058,1344 0.278,1345 0.15,1346 13.058,1347 7.027,1348 11.326,1349 0.18,1350 0.079,1351 11.326,1352 5.008,1353 9.718,1354 0.116,1355 0.041,1356 9.718,1357 3.468,1358 7.969,1359 0.074,1360 0.022,1361 7.969,1362 2.315,1363 0.264,1364 92.789,1365 0.205,1366 28.084,1367 0.483,1368 162,1369 468.627,1370 177.479,1371 460.871,1372 641.44,1373 434,1374 191,1375 482.848,1376 207.34,1377 490.677,1378 714.59,1379 462,1380 4.854}
{0 CHEMBL1290403,1 1.636,2 10.813,3 3.958,4 15.662,5 121.278,6 7.972,7 0.611,8 4.123,9 4.237,10 3.755,11 3.628,12 5.267,13 3.642,14 4.648,15 4.807,16 4.102,17 4.008,18 5.788,19 4.005,20 4.825,21 5.015,22 4.122,23 4.126,24 5.9,25 4.09,26 4.881,27 5.098,28 4.061,29 4.089,30 5.957,31 4.043,32 4.799,33 5.011,34 4.068,35 4.062,36 5.878,37 4.023,38 4.805,39 5.002,40 4.084,41 4.109,42 5.873,43 4.065,44 4.877,45 5.082,46 4.112,47 4.16,48 5.9,49 4.105,50 4.944,51 5.158,52 4.093,53 4.201,54 5.972,55 4.119,56 0.102,57 0.85,58 9.863,59 4.483,60 8.901,61 5.502,62 0.506,63 1.337,64 19.988,65 7.339,66 35.135,67 9.126,68 0.409,69 1.559,70 24.62,71 8.823,72 32.499,73 11.777,74 0.533,75 1.589,76 28.112,77 9.127,78 55.984,79 12.373,80 0.503,81 1.509,82 25.098,83 8.38,84 42.243,85 11.555,86 0.433,87 1.532,88 24.242,89 8.637,90 39.197,91 11.716,92 0.432,93 1.61,94 26.637,95 9.89,96 35.255,97 13.385,98 0.622,99 1.637,100 29.579,101 11.145,102 49.879,103 15.33,104 7,105 50,106 0.267,107 0.635,108 0.786,109 0.858,110 0.864,111 0.864,112 3.503,113 0.858,114 -4.35,115 -4.29,116 -4.04,119 42.6,124 1,125 4,142 8,143 3,144 1,145 1,146 1,147 1,150 1,152 1,158 1,168 1,172 8,174 4,175 6,178 1,180 5,183 9,186 1,187 8,192 4,195 7,199 12,202 2,204 1,207 4,211 2,212 9,215 1,216 1,217 2,220 3,223 2,224 10,229 2,232 2,236 1,237 9,240 2,242 2,245 6,249 4,250 2,253 2,258 8,262 2,263 5,266 2,268 1,271 6,275 1790,276 22.195,277 22.195,278 22.195,279 22.195,280 22.195,281 19.635,282 23.206,283 13.159,284 22.859,285 17.769,286 17.769,287 17.769,288 17.769,289 17.769,290 13.734,291 36.96,292 6.228,293 18.698,294 4.119,295 1.863,296 0.94,297 0.495,298 0.458,299 0.458,300 4.214,304 1,305 1,306 765,307 3.082,310 80.056,311 389.253,314 135.89,318 1.586,319 28.804,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 70,331 346,332 4.435,333 3.651,334 6.335,335 4.008,336 3.05,337 4.367,338 1.674,339 9.778,340 2.946,341 4.385,342 3.187,343 6.195,344 3.921,345 2.939,346 4.064,347 0.86,348 9.265,349 2.884,350 4.152,351 2.978,352 6.108,353 3.784,354 2.825,355 3.697,356 0.8,357 8.935,358 2.691,359 3.809,360 2.829,361 5.897,362 3.531,363 2.575,364 3.142,365 0.4,366 8.159,367 2.443,368 3.736,369 2.608,370 5.499,371 3.38,372 2.428,373 3.075,375 7.387,376 2.304,377 3.415,378 2.316,379 5.012,380 3.003,381 2.045,382 2.697,384 5.959,385 1.955,386 3.093,387 2.107,388 4.481,389 2.639,390 1.726,391 2.302,393 4.501,394 1.586,395 3.034,396 1.922,397 4.359,398 2.584,399 1.631,400 2.295,402 4.196,403 1.525,404 2.895,405 1.534,406 4.316,407 2.517,408 1.534,409 1.95,411 4.071,412 1.507,413 2.61,414 1.464,415 3.948,416 2.133,417 1.189,418 1.638,420 3.044,421 1.114,422 2.584,423 1.457,424 3.492,425 2.071,426 1.106,427 1.606,428 2.592,429 1.064,430 2.541,431 1.26,432 3.464,433 2.043,434 1.084,435 1.551,436 2.447,437 1.037,438 2.198,439 1.256,440 3.449,441 1.952,442 1,443 1.171,445 2.434,446 0.946,447 2,448 1.11,449 3.247,450 1.913,451 1,452 1,454 2.136,455 0.904,456 1.956,457 1.043,458 3.1,459 1.449,460 0.488,461 0.707,463 1.187,464 0.468,465 14.9,466 0.466,467 0.653,468 0.02,469 44.5,470 1.391,471 22.5,472 0.703,473 22,474 0.688,475 24.373,476 0.762,477 33.7,478 0.624,479 35.378,480 1.106,481 9.055,482 0.283,483 6.636,484 0.207,485 0.056,487 0.329,493 0.827,494 1.331,495 0.71,496 1.1,497 0.63,498 0.915,499 1.09,500 0.981,501 0.889,502 0.851,503 0.694,504 0.838,505 0.963,506 1.197,507 0.988,508 1.052,509 0.763,510 1.021,511 1.104,512 1.059,513 1.038,514 0.953,515 1.405,516 0.97,517 0.847,518 0.989,519 0.933,520 0.906,521 0.847,522 0.916,523 0.849,524 1.116,525 0.994,526 1.025,527 0.739,528 1.021,529 0.779,530 1.061,531 0.956,532 1.067,533 0.728,534 1.044,535 0.606,536 0.934,537 0.964,538 1.056,539 0.63,540 1.079,541 6,542 0.158,543 3.111,544 1.632,545 1.275,546 1.136,547 0.615,548 0.375,549 0.389,550 0.319,551 14293,552 40270,553 2.174,554 40.7,556 19,558 1,559 2,564 1.752,565 2.087,566 3.424,567 0.239,569 1,573 88.35,574 1.636,575 3.892,576 4.815,577 5.259,578 5.296,579 5.296,580 2.88,581 4.688,582 4.97,583 3.594,584 1782.85,585 8.734,586 25983.5,588 1,591 310.764,592 1.198,593 4.954,594 0.167,595 0.005,596 0.062,597 0.033,598 0.028,599 0.024,600 0.013,601 0.008,602 0.008,603 0.007,604 0.354,605 0.17,606 0.88,607 0.719,608 166.549,609 -0.031,610 -0.159,611 0.065,612 -0.087,613 -0.035,614 -0.009,615 -0.007,616 0.113,617 0.007,618 0.12,619 0.062,620 0.069,621 -0.104,622 -0.136,623 -0.078,624 -0.075,625 0.001,626 -0.07,627 -0.149,628 -0.035,629 -0.067,630 0.001,631 -0.179,632 -0.014,633 -0.001,634 0.073,635 0.007,636 0.047,637 -0.028,638 0.035,639 -0.048,640 -0.048,641 -0.086,642 -0.051,643 0.014,644 -0.067,646 -0.032,647 -0.033,648 -0.073,649 -0.003,650 -0.061,651 0.182,652 0.046,653 -0.018,654 -0.04,655 0.095,656 -0.065,657 2.055,658 5.007,659 0.844,660 31.996,661 1.012,662 1.129,663 3.121,664 9.742,665 0.676,666 3.611,667 3.932,668 4.22,669 4.489,670 4.727,671 4.82,672 5.024,673 5.176,674 5.298,675 5.455,676 6.795,677 0.657,678 430.51,679 3.611,680 5.153,681 6.009,682 6.884,683 7.754,684 8.635,685 9.51,686 10.393,687 11.271,688 12.155,689 11.1,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,721 1,724 1,726 1,731 54,733 23,734 2,735 36,737 58,738 23,739 17,740 5,741 7,742 1,746 5,747 6,761 18,762 5,766 1,771 1,775 1,778 1,781 22,782 8,783 2,784 9,790 6,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 32,854 4,855 1,856 2,859 1,870 5.6,873 1,874 1,875 1,877 15.333,878 10.05,879 7.028,880 3.108,881 4.024,882 1.5,883 1.017,884 5.819,885 12.072,886 3.892,887 4.503,888 5.117,889 5.722,890 6.266,891 6.592,892 7.064,893 7.484,894 7.786,895 8.235,896 1,897 50,898 11.788,900 5.023,901 7.719,902 22.46,904 18.35,905 2.219,906 71,909 1,910 235.422,911 137.157,912 88.032,914 47.145,917 137.157,918 282.567,919 88.032,920 10.883,921 13.396,922 75.81,923 105.341,924 72.303,925 6.371,926 223.651,928 235.422,929 225.189,930 47.145,933 235.422,934 36.145,935 11,937 61.773,938 113.182,939 50.234,941 235.422,942 135.177,943 137.157,946 235.422,947 41.416,948 98.865,949 34.674,950 97.379,951 235.422,952 135.177,953 137.157,955 0.577,956 0.342,957 0.185,958 0.1,959 25,960 10,961 0.103,962 6,963 1,964 1.074,965 4.343,966 303.459,967 0.074,968 27,969 156,974 20.583,975 9.047,976 4.511,977 1.969,978 118.514,979 16.828,980 13.615,981 2.953,984 4.137,986 34.674,987 507.756,988 48,993 12.007,997 -0.388,999 54.662,1000 60.94,1001 0.284,1002 0.676,1003 0.837,1004 0.914,1005 0.92,1006 0.92,1007 5.121,1008 1.631,1009 5.979,1010 4.501,1011 4.615,1012 5.19,1013 2.237,1014 6.772,1015 4.525,1016 6.319,1017 1.534,1018 7.521,1019 4.196,1020 4.111,1021 4.945,1022 0.325,1023 7.591,1024 3.999,1025 7.621,1026 1.189,1027 9.16,1028 4.071,1029 6.192,1030 7.403,1031 2.908,1032 10.683,1033 6.028,1034 8.958,1035 1.106,1036 10.856,1037 3.044,1038 6.524,1039 8.009,1040 0.268,1041 12.313,1042 6.339,1043 10.328,1044 1.084,1045 12.588,1046 2.592,1047 8.036,1048 9.911,1049 3.832,1050 14.882,1051 7.808,1052 11.72,1053 1,1054 14.343,1055 2.447,1056 8.755,1057 10.926,1058 0.188,1059 16.846,1060 8.505,1061 13.128,1062 1,1063 16.115,1064 2.434,1065 10.024,1066 12.584,1067 4.831,1068 19.219,1069 9.737,1070 3.05,1071 0.488,1072 17.898,1073 2.136,1074 10.932,1075 13.809,1076 0.125,1077 21.333,1078 10.62,1079 2.939,1080 9.778,1081 19.69,1082 1.187,1083 12.094,1084 15.355,1085 5.852,1086 23.627,1087 11.75,1088 2.825,1089 9.265,1090 21.488,1091 4.367,1092 13.093,1093 16.688,1094 0.082,1095 25.81,1096 12.722,1097 2.575,1098 8.935,1099 23.291,1100 4.064,1101 14.21,1102 18.182,1103 6.88,1104 28.074,1105 13.808,1106 2.428,1107 8.159,1108 25.098,1109 3.697,1110 15.253,1111 19.572,1112 0.054,1113 30.29,1114 14.824,1115 2.045,1116 7.387,1117 26.908,1118 3.142,1119 16.351,1120 21.042,1121 7.91,1122 32.544,1123 15.893,1124 1.726,1125 5.959,1126 28.72,1127 3.075,1128 17.418,1129 22.463,1130 0.035,1131 34.778,1132 16.931,1133 13260,1134 22399,1135 24.849,1136 36.489,1137 53.961,1138 55.523,1139 54.726,1140 53.594,1141 53.615,1142 70.971,1143 7.469,1144 152.678,1145 51.086,1146 5.435,1147 5.651,1148 6.137,1149 5.111,1150 5.05,1151 7.367,1152 3.349,1153 16.349,1154 4.946,1155 10.907,1156 1.499,1157 1.542,1158 1.52,1159 1.489,1160 1.489,1161 1.971,1162 0.207,1163 4.241,1164 1.419,1165 4.107,1166 4.151,1167 4.069,1168 3.997,1169 7.433,1170 4.009,1171 3.992,1172 4.026,1173 3.954,1174 3.906,1175 5.107,1176 3.912,1177 3.818,1178 3.862,1179 3.758,1180 3.635,1181 4.988,1182 3.66,1183 3.653,1184 3.702,1185 3.559,1186 3.459,1187 4.677,1188 3.475,1189 3.409,1190 3.454,1191 3.338,1192 3.181,1193 4.599,1194 3.209,1195 3.347,1196 3.395,1197 3.261,1198 3.094,1199 4.468,1200 3.13,1201 3.111,1202 3.206,1203 2.875,1204 2.941,1205 4.42,1206 2.91,1207 2.994,1208 3.057,1209 2.866,1210 2.847,1211 3.979,1212 2.845,1213 0.123,1214 0.101,1215 0.176,1216 0.111,1217 0.085,1218 4.435,1219 0.121,1220 3.651,1221 0.047,1222 6.335,1223 0.272,1224 4.008,1225 0.082,1226 3.05,1227 4.367,1228 1.674,1229 9.778,1230 2.946,1231 1.967,1232 1.942,1233 2.046,1234 2.086,1235 1.204,1236 2.072,1237 1.922,1238 1.899,1239 2.007,1240 2.007,1241 1.155,1242 2.008,1243 1.742,1244 1.691,1245 1.92,1246 1.953,1247 1.124,1248 1.946,1249 1.574,1250 1.529,1251 1.699,1252 1.776,1253 0.825,1254 1.755,1255 1.311,1256 1.233,1257 1.59,1258 1.638,1259 0.75,1260 1.593,1261 1.269,1262 1.228,1263 1.513,1264 1.587,1265 0.58,1266 1.578,1267 1.153,1268 1.064,1269 1.464,1270 1.376,1271 0.408,1272 1.429,1273 1.069,1274 1.012,1275 1.222,1276 1.281,1277 0.307,1278 1.267,1279 4.29,1281 5.609,1282 2.398,1283 7.125,1284 4.595,1285 8.726,1286 6.581,1287 10.371,1289 1.37,1295 2.689,1296 3.382,1297 10.34,1300 2.099,1305 35.487,1306 88.35,1307 210.181,1308 260.009,1309 284.009,1310 286.009,1311 286.009,1312 44.221,1313 8.048,1314 105.26,1315 105.26,1316 29,1317 12.689,1318 4.585,1319 3.7,1320 45.357,1321 130,1322 130,1323 0.168,1324 214.98,1325 364.39,1326 516.312,1327 34905,1329 21.916,1330 0.685,1331 0.548,1332 21.916,1333 17.538,1334 15.691,1335 0.436,1336 0.286,1337 10.1,1338 14.904,1339 9.909,1340 8.172,1341 15.691,1342 10.302,1343 13.93,1344 0.279,1345 0.148,1346 13.93,1347 7.407,1348 12.13,1349 0.181,1350 0.079,1351 12.13,1352 5.3,1353 10.132,1354 0.115,1355 0.041,1356 10.132,1357 3.643,1358 8.269,1359 0.074,1360 0.022,1361 8.269,1362 2.425,1363 0.26,1364 99.593,1365 0.201,1366 29.641,1367 0.472,1368 172,1369 536.453,1370 191.988,1371 511.245,1372 705.4,1373 482,1374 203,1375 523.622,1376 223.325,1377 528.987,1378 774.27,1379 496,1380 4.796}
{0 CHEMBL1290512,1 1.623,2 11.5,3 3.546,4 12.576,5 122.506,6 7.724,7 0.611,8 4.158,9 4.275,10 3.76,11 3.642,12 5.272,13 3.653,14 4.686,15 4.847,16 4.093,17 4.019,18 5.769,19 4.012,20 4.893,21 5.097,22 4.095,23 4.126,24 5.915,25 4.08,26 4.865,27 5.093,28 4.034,29 4.097,30 5.837,31 4.034,32 4.841,33 5.063,34 4.072,35 4.092,36 5.876,37 4.04,38 4.843,39 5.041,40 4.087,41 4.136,42 5.854,43 4.088,44 4.928,45 5.142,46 4.126,47 4.19,48 5.934,49 4.123,50 4.979,51 5.198,52 4.068,53 4.219,54 5.93,55 4.132,56 0.112,57 0.875,58 11.138,59 4.715,60 11.056,61 5.973,62 0.414,63 1.37,64 21.607,65 7.696,66 30.862,67 9.868,68 0.629,69 1.583,70 28.916,71 9.27,72 47.167,73 12.831,74 0.403,75 1.588,76 27.896,77 9.177,78 34.223,79 13.319,80 0.522,81 1.547,82 27.205,83 8.906,84 42.251,85 12.866,86 0.345,87 1.573,88 25.994,89 9.078,90 30.334,91 12.591,92 0.552,93 1.659,94 29.329,95 10.415,96 40.112,97 14.69,98 0.423,99 1.67,100 31.4,101 11.703,102 43.251,103 16.205,104 5,105 49,106 0.264,107 0.626,108 0.77,109 0.875,110 0.875,111 0.875,112 3.503,113 0.879,114 -3.61,115 -3.58,116 -3.41,119 41.1,125 6,142 8,143 2,144 2,145 1,146 1,147 1,150 1,152 1,168 1,172 6,174 3,175 6,178 1,180 5,183 7,186 1,187 6,190 1,192 4,195 6,199 8,202 2,204 1,207 3,211 3,212 8,215 1,216 1,217 4,220 3,224 6,229 3,232 2,236 3,237 9,240 3,242 3,245 6,250 2,253 1,255 1,258 6,262 2,263 6,266 2,268 1,271 4,275 1838,276 22.403,277 22.403,278 22.403,279 22.403,280 22.403,281 19.933,282 25.017,283 13.647,284 23.092,285 17.845,286 17.845,287 17.845,288 17.845,289 17.845,290 14.04,291 40.335,292 6.537,293 18.973,294 4.185,295 1.956,296 1.071,297 0.429,298 0.429,299 0.429,300 4.217,304 1,305 1,306 815,307 2.915,310 80.229,311 390.535,314 136.236,318 1.688,319 26.673,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 70,331 368,332 4.434,333 3.192,334 6.322,335 3.991,336 3.041,337 4.367,338 0.86,339 9.744,340 2.912,341 4.37,342 2.98,343 6.195,344 3.915,345 2.936,346 4.047,347 0.86,348 9.264,349 2.87,350 4.045,351 2.963,352 6.039,353 3.685,354 2.743,355 3.589,356 0.8,357 8.74,358 2.563,359 3.743,360 2.734,361 5.518,362 3.428,363 2.49,364 3.097,365 0.4,366 7.469,367 2.332,368 3.626,369 2.539,370 5.303,371 3.257,372 2.316,373 2.924,375 6.817,376 2.175,377 3.367,378 2.296,379 4.989,380 2.959,381 2.011,382 2.651,384 5.888,385 1.902,386 3.034,387 2.055,388 4.432,389 2.626,390 1.723,391 2.301,393 4.408,394 1.548,395 2.939,396 1.848,397 4.356,398 2.517,399 1.534,400 2.058,402 4.195,403 1.507,404 2.833,405 1.534,406 4.189,407 2.459,408 1.529,409 1.914,411 3.727,412 1.413,413 2.589,414 1.514,415 3.514,416 2.224,417 1.283,418 1.631,420 2.687,421 1.197,422 2.548,423 1.354,424 3.487,425 2.082,426 1.128,427 1.571,428 2.552,429 1.074,430 2.432,431 1.256,432 3.449,433 2.045,434 1.087,435 1.427,436 2.446,437 1.039,438 2.198,439 1.11,440 3.379,441 1.952,442 1,443 1.171,445 2.413,446 0.946,447 2,448 1.045,449 3.247,450 1.913,451 1,452 1,454 2.136,455 0.905,456 1.956,457 0.908,458 3.1,459 1.449,460 0.488,461 0.707,463 1.187,464 0.468,465 14.9,466 0.466,467 0.564,468 0.018,469 43.5,470 1.359,471 21.5,472 0.672,473 22,474 0.688,475 25.041,476 0.783,477 34.3,478 0.613,479 33.572,480 1.049,481 8.777,482 0.274,483 7.003,484 0.219,485 0.022,487 0.295,493 0.942,494 1.34,495 0.76,496 1.102,497 0.928,498 0.929,499 1.254,500 1.077,501 0.963,502 0.964,503 1.007,504 0.925,505 1.141,506 1.079,507 1.032,508 0.912,509 0.92,510 0.944,511 0.797,512 1.119,513 0.952,514 1.01,515 0.713,516 0.996,517 0.723,518 0.962,519 0.891,520 0.898,521 0.684,522 0.906,523 0.971,524 1.197,525 1.026,526 1.09,527 0.967,528 1.059,529 0.661,530 0.975,531 0.942,532 1.026,533 0.7,534 1.029,535 0.81,536 1.065,537 0.994,538 1.133,539 0.763,540 1.107,541 5.5,542 0.138,543 2.444,544 1.507,545 1.235,546 0.962,547 0.636,548 0.349,549 0.319,550 0.249,551 14557,552 39545,553 2.194,554 42.9,556 20,558 1,559 3,564 1.751,565 2.133,566 3.481,567 0.884,569 1,573 90.866,574 1.623,575 3.851,576 4.736,577 5.379,578 5.379,579 5.379,580 2.93,581 4.688,582 4.968,583 3.647,584 1808.74,585 8.729,586 26458.6,588 1,591 325.212,592 1.043,593 4.964,594 0.153,595 0.004,596 0.05,597 0.031,598 0.027,599 0.02,600 0.013,601 0.007,602 0.007,603 0.006,604 0.319,605 0.33,606 0.88,607 0.781,608 167.09,609 -0.06,610 -0.143,611 0.057,612 -0.057,613 -0.094,614 0.007,615 -0.129,616 0.032,617 -0.05,618 0.025,619 -0.085,620 -0.003,621 -0.092,622 -0.046,623 -0.07,624 0.062,625 -0.052,626 0.009,627 -0.051,628 -0.067,629 -0.012,630 -0.039,631 -0.05,632 -0.02,633 0.079,634 0.103,635 0.051,636 0.069,637 0.072,638 0.059,639 -0.147,640 -0.118,641 -0.116,642 -0.097,643 -0.117,644 -0.095,645 0.128,646 0.068,647 -0.012,648 -0.029,649 0.058,650 -0.043,651 -0.021,652 -0.086,653 -0.054,654 -0.1,655 -0.013,656 -0.085,657 1.534,658 3.048,659 0.844,660 33.68,661 1.01,662 1.131,663 2.382,664 5.673,665 0.665,666 3.611,667 3.912,668 4.19,669 4.477,670 4.718,671 4.804,672 5.011,673 5.165,674 5.288,675 5.429,676 6.944,677 0.643,678 432.53,679 3.611,680 5.142,681 5.989,682 6.86,683 7.724,684 8.601,685 9.473,686 10.354,687 11.23,688 12.113,689 10.7,695 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,726 1,729 1,731 56,733 22,734 2,735 36,737 60,738 23,739 17,740 5,741 7,746 5,747 6,752 1,761 17,762 6,778 1,781 24,782 8,783 3,784 9,790 6,794 0.8,795 3,796 1,803 1,806 1,811 1,812 4,815 1,838 1,839 1,840 4,848 32,853 1,854 6,855 1,856 2,859 1,870 5.4,871 1,874 1,875 1,877 15,878 9.833,879 7.083,880 3.271,881 3.943,882 1.49,883 0.996,884 6.275,885 11.991,886 3.871,887 4.469,888 5.074,889 5.695,890 6.237,891 6.551,892 7.019,893 7.447,894 7.747,895 8.169,896 0.875,897 48,898 11.785,900 4.985,901 7.667,902 22.641,904 18.516,905 2.167,906 69.333,909 1,910 247.193,911 125.733,912 88.032,914 64.683,917 125.733,918 311.876,919 88.032,921 17.989,922 118.493,923 73.005,924 74.361,925 6.371,926 235.422,928 247.193,929 213.765,930 64.683,933 247.193,934 11,935 53.683,937 66.366,938 97.165,939 50.234,941 247.193,942 152.715,943 125.733,946 247.193,947 40.875,948 87.982,949 34.674,950 114.917,951 247.193,952 152.715,953 125.733,955 0.568,956 0.328,957 0.185,958 0.103,959 24,960 9,961 0.117,962 7,963 1,964 1.074,965 4.406,966 300.028,967 0.074,968 27,969 156,974 20.853,975 9.63,976 4.921,977 1.999,978 136.052,979 17.398,980 13.693,981 2.964,984 4.633,986 77.357,987 525.641,988 47,999 56.545,1000 63.355,1001 0.279,1002 0.663,1003 0.816,1004 0.926,1005 0.926,1006 0.926,1007 5.091,1008 1.534,1009 5.943,1010 4.408,1011 4.595,1012 5.156,1013 1.656,1014 6.718,1015 4.486,1016 6.273,1017 1.529,1018 7.467,1019 4.195,1020 4.007,1021 4.856,1022 0.325,1023 7.486,1024 3.863,1025 7.564,1026 1.283,1027 9.089,1028 3.727,1029 6.146,1030 7.357,1031 1.308,1032 10.594,1033 5.946,1034 8.892,1035 1.128,1036 10.769,1037 2.687,1038 6.415,1039 7.932,1040 0.268,1041 12.197,1042 6.183,1043 10.254,1044 1.087,1045 12.488,1046 2.552,1047 7.965,1048 9.86,1049 1.064,1050 14.773,1051 7.686,1052 11.639,1053 1,1054 14.233,1055 2.446,1056 8.646,1057 10.859,1058 0.188,1059 16.727,1060 8.336,1061 13.043,1062 1,1063 15.995,1064 2.413,1065 9.935,1066 12.533,1067 0.862,1068 19.102,1069 9.585,1070 3.041,1071 0.488,1072 17.771,1073 2.136,1074 10.821,1075 13.751,1076 0.125,1077 21.214,1078 10.44,1079 2.936,1080 9.744,1081 19.556,1082 1.187,1083 11.993,1084 15.306,1085 0.69,1086 23.51,1087 11.575,1088 2.743,1089 9.264,1090 21.349,1091 4.367,1092 12.982,1093 16.638,1094 0.082,1095 25.694,1096 12.531,1097 2.49,1098 8.74,1099 23.148,1100 4.047,1101 14.102,1102 18.136,1103 0.544,1104 27.96,1105 13.617,1106 2.316,1107 7.469,1108 24.951,1109 3.589,1110 15.141,1111 19.528,1112 0.054,1113 30.178,1114 14.622,1115 2.011,1116 6.817,1117 26.758,1118 3.097,1119 16.241,1120 21.001,1121 0.424,1122 32.434,1123 15.689,1124 1.723,1125 5.888,1126 28.569,1127 2.924,1128 17.306,1129 22.424,1130 0.035,1131 34.67,1132 16.719,1133 13500,1134 22381,1135 25.137,1136 37.25,1137 53.21,1138 54.105,1139 53.734,1140 53.115,1141 53.165,1142 69.495,1143 5.84,1144 148.223,1145 50.155,1146 5.434,1147 5.192,1148 6.185,1149 5.095,1150 5.041,1151 7.367,1152 1.72,1153 16.269,1154 4.912,1155 8.053,1156 1.478,1157 1.503,1158 1.493,1159 1.475,1160 1.477,1161 1.93,1162 0.162,1163 4.117,1164 1.393,1165 4.107,1166 4.15,1167 4.069,1168 3.996,1169 6.457,1170 4.007,1171 3.984,1172 4.02,1173 3.945,1174 3.889,1175 5.108,1176 3.896,1177 3.807,1178 3.852,1179 3.738,1180 3.623,1181 4.997,1182 3.647,1183 3.649,1184 3.7,1185 3.553,1186 3.455,1187 4.792,1188 3.47,1189 3.489,1190 3.54,1191 3.345,1192 3.256,1193 4.601,1194 3.265,1195 3.364,1196 3.432,1197 3.286,1198 3.168,1199 4.435,1200 3.189,1201 3.111,1202 3.206,1203 2.879,1204 2.941,1205 4.287,1206 2.91,1207 2.986,1208 3.052,1209 2.866,1210 2.848,1211 3.975,1212 2.846,1213 0.123,1214 0.089,1215 0.176,1216 0.111,1217 0.084,1218 4.434,1219 0.121,1220 3.192,1221 0.024,1222 6.322,1223 0.271,1224 3.991,1225 0.081,1226 3.041,1227 4.367,1228 0.86,1229 9.744,1230 2.912,1231 1.96,1232 1.934,1233 2.041,1234 2.084,1235 1.203,1236 2.069,1237 1.914,1238 1.891,1239 2.003,1240 2.005,1241 1.154,1242 2.005,1243 1.736,1244 1.684,1245 1.918,1246 1.949,1247 1.111,1248 1.943,1249 1.569,1250 1.524,1251 1.734,1252 1.781,1253 0.94,1254 1.765,1255 1.43,1256 1.376,1257 1.674,1258 1.688,1259 0.825,1260 1.689,1261 1.31,1262 1.229,1263 1.513,1264 1.634,1265 0.734,1266 1.589,1267 1.153,1268 1.064,1269 1.464,1270 1.376,1271 0.408,1272 1.429,1273 1.067,1274 1.013,1275 1.221,1276 1.28,1277 0.305,1278 1.265,1279 4.29,1281 5.595,1282 2.398,1283 7.096,1284 4.595,1285 8.687,1286 6.581,1287 10.326,1294 9.048,1295 2.993,1296 3.409,1297 11.068,1300 2.129,1305 36.014,1306 90.866,1307 215.663,1308 265.212,1309 301.212,1310 301.212,1311 301.212,1312 41.917,1313 8.048,1314 108.42,1315 108.42,1316 29,1317 12.648,1318 4.524,1319 3.585,1320 45.379,1321 132,1322 156,1323 0.165,1324 217.908,1325 367.03,1326 523.455,1327 35291,1329 21.753,1330 0.68,1331 0.547,1332 21.753,1333 17.491,1334 15.78,1335 0.438,1336 0.293,1337 10.343,1338 14.991,1339 10.204,1340 8.365,1341 15.78,1342 10.544,1343 13.792,1344 0.281,1345 0.152,1346 13.792,1347 7.435,1348 11.715,1349 0.18,1350 0.08,1351 11.715,1352 5.211,1353 10.103,1354 0.116,1355 0.042,1356 10.103,1357 3.628,1358 8.338,1359 0.075,1360 0.022,1361 8.338,1362 2.432,1363 0.256,1364 100.051,1365 0.199,1366 29.765,1367 0.46,1368 170,1369 512.867,1370 189.767,1371 487.127,1372 676.04,1373 462,1374 199,1375 502.409,1376 219.104,1377 504.069,1378 739.53,1379 476,1380 4.959}
{0 CHEMBL1290513,1 1.602,2 7.81,3 2.45,4 6,5 83.137,6 7.343,7 0.522,8 3.78,9 3.904,10 3.334,11 3.238,12 4.881,13 3.241,14 4.308,15 4.495,16 3.656,17 3.597,18 5.377,19 3.58,20 4.504,21 4.718,22 3.673,23 3.718,24 5.508,25 3.666,26 4.482,27 4.721,28 3.594,29 3.666,30 5.476,31 3.598,32 4.442,33 4.676,34 3.62,35 3.635,36 5.496,37 3.58,38 4.389,39 4.593,40 3.529,41 3.637,42 5.383,43 3.576,44 4.486,45 4.718,46 3.407,47 3.653,48 5.457,49 3.519,50 4.554,51 4.855,52 3.022,53 3.496,54 5.336,55 3.296,56 0.052,57 0.595,58 8.394,59 3.204,60 7.447,61 4.411,62 0.299,63 0.915,64 16.033,65 5.155,66 21.683,67 7.196,68 0.336,69 1.051,70 20.209,71 6.119,72 28.127,73 9.105,74 0.284,75 1.04,76 19.802,77 5.849,78 28.269,79 9.061,80 0.374,81 0.992,82 19.153,83 5.452,84 35.08,85 8.588,86 0.236,87 0.973,88 17.313,89 5.199,90 18.976,91 7.813,92 0.344,93 0.955,94 19.841,95 7.08,96 30.881,97 10.387,98 0.296,99 0.838,100 23.562,101 7.727,102 34.445,103 11.504,104 6,105 31,106 0.288,107 0.641,108 0.784,109 0.837,110 0.837,111 0.837,112 3.104,113 0.907,114 -3.51,115 -3.48,116 -3.33,119 38.5,124 1,125 4,142 5,143 1,144 1,146 1,147 1,150 1,172 4,174 3,175 3,178 1,180 3,183 5,186 1,187 2,192 2,195 4,199 4,202 2,204 2,207 1,211 2,212 5,215 1,217 3,220 1,224 2,229 1,237 4,240 3,241 1,242 1,250 2,263 1,275 530,276 14.455,277 14.455,278 14.455,279 14.455,280 14.455,281 13.071,282 18.936,283 8.709,284 14.963,285 11.336,286 11.336,287 11.336,288 11.336,289 11.336,290 9.168,291 28.524,292 4.111,293 12.124,294 3.684,295 1.725,296 0.932,297 0.635,298 0.635,299 0.635,300 3.787,303 1,304 1,305 1,306 351,307 2,311 194.479,318 1.17,319 18.593,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 46,331 164,332 4.372,333 3.182,334 6.316,335 3.974,336 3.027,337 4.042,338 0.86,339 9.715,340 2.89,341 4.021,342 2.887,343 6.033,344 3.671,345 2.727,346 3.563,347 0.8,348 8.707,349 2.552,350 3.643,351 2.605,352 5.304,353 3.325,354 2.385,355 2.898,356 0.4,357 6.795,358 2.238,359 3.452,360 2.314,361 4.995,362 3.065,363 2.121,364 2.739,366 5.895,367 1.994,368 2.938,369 2.253,370 4.425,371 2.654,372 1.759,373 2.031,375 4.397,376 1.57,377 2.79,378 1.558,379 4.136,380 2.332,381 1.373,382 1.887,384 3.566,385 1.312,386 2.552,387 1.339,388 3.492,389 2.075,390 1.128,391 1.575,393 2.618,394 1.066,395 2.199,396 1.256,397 3.469,398 1.952,399 1,400 1.173,402 2.476,403 0.946,404 2,405 1.051,406 3.247,407 1.914,408 1,409 1,411 2.136,412 0.906,413 1.584,414 0.69,415 2.82,416 1.343,417 0.431,418 0.482,420 0.637,421 0.392,422 0.981,423 -0.057,424 2.656,425 0.563,426 -0.384,427 -0.493,428 -0.869,429 -0.357,430 0.847,431 -0.324,432 2.459,433 0.454,434 -0.478,435 -0.561,436 -1.245,437 -0.444,438 0.747,439 -0.36,440 2,441 0.371,442 -0.568,443 -0.723,445 -1.531,446 -0.531,447 0.541,448 -0.495,449 1.796,450 0.11,451 -0.837,452 -1,454 -1.987,455 -0.79,456 0.227,457 -0.693,458 1.676,459 -0.043,460 -1,461 -1.005,463 -2.347,464 -0.846,465 9.767,466 0.465,467 0.414,468 0.02,469 28,470 1.333,471 13.5,472 0.643,473 14.5,474 0.69,475 14.397,476 0.686,477 23.233,478 0.596,479 18.993,480 0.904,481 5.691,482 0.271,483 4.568,484 0.218,485 0.085,487 0.297,493 0.989,494 1.546,495 0.813,496 1.203,497 0.964,498 1.009,499 1.141,500 0.932,501 0.929,502 0.887,503 0.722,504 0.871,505 1.13,506 1.146,507 0.999,508 0.955,509 1.017,510 0.952,511 0.85,512 1.095,513 0.986,514 1,515 0.933,516 0.995,517 0.787,518 1.048,519 0.901,520 0.88,521 0.741,522 0.888,523 1.142,524 1.176,525 1.254,526 1.141,527 0.99,528 1.176,529 0.516,530 1.127,531 1.106,532 1.338,533 0.588,534 1.334,535 0.786,536 0.834,537 0.943,538 1.064,539 0.797,540 1.045,541 4,542 0.012,543 1.778,544 1,545 1.027,546 0.785,547 0.308,548 0.215,549 0.122,550 0.041,551 4089,552 10999,553 2.102,554 46.2,556 16,559 2,564 1.638,565 2,566 3.009,567 0.378,568 1,569 1,571 1,573 62.469,574 1.602,575 3.56,576 4.353,577 4.651,578 4.651,579 4.651,580 2.453,581 4.107,582 4.365,583 3.111,584 653.236,585 7.508,586 6877.08,587 1,588 1,590 1,591 206.131,592 1.268,593 4.338,594 0.174,595 0.006,596 0.057,597 0.032,598 0.037,599 0.027,600 0.012,601 0.01,602 0.009,603 0.007,604 0.372,605 0.67,606 1,607 0.741,608 93.438,609 -0.097,610 -0.308,611 0.049,612 -0.106,613 -0.115,614 -0.019,615 -0.049,616 0.204,617 0.017,618 0.098,619 0.05,620 0.067,621 -0.124,622 -0.094,623 -0.043,624 0.025,625 -0.089,626 0.005,627 -0.057,628 -0.022,629 -0.041,630 -0.051,631 -0.091,632 -0.041,633 0.087,634 0.023,635 0.056,636 0.064,637 0.113,638 0.059,639 -0.261,640 -0.028,641 -0.333,642 -0.176,643 -0.197,644 -0.24,645 0.225,646 -0.133,647 -0.182,648 -0.312,649 0.135,650 -0.323,651 0.031,652 -0.05,653 0.058,654 -0.077,655 0.053,656 -0.011,657 1.44,658 3.633,659 0.857,660 14.608,661 1.006,662 1.136,663 2.276,664 5.182,665 0.648,666 3.178,667 3.466,668 3.714,669 3.97,670 4.234,671 4.234,672 4.369,673 4.382,674 4.419,675 4.317,676 4.919,677 0.621,678 286.37,679 3.178,680 4.691,681 5.525,682 6.389,683 7.244,684 8.114,685 8.978,686 9.851,687 10.719,688 11.593,689 10.3,694 1,695 1,699 2,704 5,705 2,709 5,711 12,724 1,726 1,728 1,731 39,733 12,734 1,735 23,737 41,738 15,739 10,740 2,741 4,746 3,747 3,761 10,762 5,777 1,778 1,781 18,782 6,783 2,784 6,790 4,794 1,795 2,806 1,812 3,839 1,840 3,844 1,848 21,853 1,854 4,855 1,856 1,859 1,870 5.1,872 1,874 1,877 10.5,878 7.133,879 4.722,880 2.264,881 2.25,882 1.337,883 0.952,884 4.223,885 8.924,886 3.401,887 3.951,888 4.5,889 5.069,890 5.637,891 5.84,892 6.239,893 6.504,894 6.812,895 6.925,896 1,897 31,898 7.734,900 3.207,901 7.706,902 14.819,904 11.837,905 2.206,906 46.333,907 0.001,910 188.338,911 79.343,912 54.706,914 53.683,917 79.343,918 242.021,919 54.706,920 8.396,921 13.396,922 47.381,923 105.265,924 9.067,925 4.227,926 188.338,928 188.338,929 134.049,930 53.683,933 188.338,934 42.683,935 11,937 18.052,938 64.415,939 51.582,941 188.338,942 108.389,943 79.343,946 188.338,947 23.566,948 58.902,949 18.011,950 87.254,951 188.338,952 108.389,953 79.343,955 0.568,956 0.33,957 0.182,958 0.109,959 15,960 6,961 0.073,962 3,964 1,965 3.33,966 161.409,968 18,969 85.484,974 14.108,975 6.286,976 3.255,978 108.389,979 8.945,980 9.134,984 3.313,986 60.694,987 376.07,988 29,999 39.247,1000 44.318,1001 0.303,1002 0.674,1003 0.824,1004 0.88,1005 0.88,1006 0.88,1007 4.615,1008 1,1009 5.485,1010 2.618,1011 4.143,1012 4.635,1013 1.324,1014 6.252,1015 4.02,1016 5.785,1017 1,1018 7.009,1019 2.476,1020 3.611,1021 4.311,1022 0.325,1023 7.034,1024 3.428,1025 7.067,1026 0.431,1027 8.632,1028 2.136,1029 5.687,1030 6.756,1031 0.958,1032 10.125,1033 5.455,1034 8.383,1035 -0.384,1036 10.313,1037 0.637,1038 5.969,1039 7.23,1040 0.268,1041 11.73,1042 5.679,1043 9.731,1044 -0.478,1045 12.031,1046 -0.869,1047 7.497,1048 9.158,1049 0.736,1050 14.311,1051 7.164,1052 11.101,1053 -0.568,1054 13.775,1055 -1.245,1056 8.177,1057 10.027,1058 0.188,1059 16.269,1060 7.79,1061 12.487,1062 -0.837,1063 15.538,1064 -1.531,1065 9.458,1066 11.706,1067 0.57,1068 18.654,1069 9.03,1070 3.027,1071 -1,1072 17.314,1073 -1.987,1074 10.341,1075 12.794,1076 0.125,1077 20.773,1078 9.862,1079 2.727,1080 9.715,1081 19.1,1082 -2.347,1083 11.511,1084 14.341,1085 0.439,1086 23.079,1087 10.989,1088 2.385,1089 8.707,1090 20.894,1091 4.042,1092 12.497,1093 15.554,1094 0.082,1095 25.272,1096 11.927,1097 2.121,1098 6.795,1099 22.695,1100 3.563,1101 13.618,1102 17.029,1103 0.334,1104 27.547,1105 13.005,1106 1.759,1107 5.895,1108 24.5,1109 2.898,1110 14.656,1111 18.315,1112 0.054,1113 29.774,1114 13.997,1115 1.373,1116 4.397,1117 26.31,1118 2.739,1119 15.758,1120 19.75,1121 0.252,1122 32.038,1123 15.056,1124 1.128,1125 3.566,1126 28.124,1127 2.031,1128 16.823,1129 21.079,1130 0.035,1131 34.283,1132 16.075,1133 4002,1134 6655,1135 15.603,1136 25.262,1137 33.884,1138 34.287,1139 34.561,1140 33.914,1141 33.9,1142 42.779,1143 4.12,1144 93.884,1145 31.73,1146 5.372,1147 5.182,1148 6.118,1149 5.078,1150 5.027,1151 7.042,1152 1.72,1153 16.229,1154 4.89,1155 7.976,1156 1.473,1157 1.491,1158 1.503,1159 1.475,1160 1.474,1161 1.86,1162 0.179,1163 4.082,1164 1.38,1165 3.998,1166 4.038,1167 3.958,1168 3.898,1169 6.471,1170 3.906,1171 3.804,1172 3.849,1173 3.732,1174 3.628,1175 4.996,1176 3.65,1177 3.648,1178 3.703,1179 3.545,1180 3.454,1181 4.613,1182 3.467,1183 3.281,1184 3.382,1185 3.111,1186 3.021,1187 4.568,1188 3.025,1189 3.111,1190 3.206,1191 2.886,1192 2.941,1193 4.235,1194 2.91,1195 2.968,1196 3.008,1197 2.866,1198 2.755,1199 3.87,1200 2.777,1201 2.916,1202 2.966,1203 2.785,1204 2.744,1205 3.692,1206 2.743,1207 2.783,1208 2.856,1209 2.619,1210 2.577,1211 3.498,1212 2.581,1213 0.19,1214 0.138,1215 0.275,1216 0.173,1217 0.132,1218 4.372,1219 0.176,1220 3.182,1221 0.037,1222 6.316,1223 0.422,1224 3.974,1225 0.126,1226 3.027,1227 4.042,1228 0.86,1229 9.715,1230 2.89,1231 1.938,1232 1.913,1233 2.025,1234 2.069,1235 1.201,1236 2.053,1237 1.741,1238 1.689,1239 1.919,1240 1.942,1241 1.101,1242 1.94,1243 1.589,1244 1.536,1245 1.768,1246 1.81,1247 0.825,1248 1.802,1249 1.242,1250 1.142,1251 1.55,1252 1.529,1253 0.793,1254 1.541,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.586,1260 1.429,1261 0.883,1262 0.843,1263 1.142,1264 1.157,1265 0.266,1266 1.137,1267 0.879,1268 0.825,1269 1.106,1270 1.125,1271 0.17,1272 1.126,1273 0.754,1274 0.684,1275 1.038,1276 0.991,1277 0.099,1278 1.012,1279 3.85,1281 5.142,1283 6.642,1285 8.233,1287 9.869,1289 1.831,1294 9.633,1295 2.947,1296 3.06,1297 5.362,1300 2.108,1305 24.203,1306 62.469,1307 138.858,1308 169.766,1309 181.376,1310 181.376,1311 181.376,1312 26.79,1313 6.675,1314 70.51,1315 70.51,1316 18,1317 12.134,1318 3.7,1319 2.807,1320 31.932,1321 62,1322 56,1323 0.26,1324 150.081,1325 254.92,1326 357.957,1327 5983,1329 14.656,1330 0.698,1331 0.567,1332 14.656,1333 11.912,1334 10.258,1335 0.446,1336 0.302,1337 6.812,1338 9.74,1339 6.667,1340 5.51,1341 10.258,1342 6.95,1343 8.931,1344 0.288,1345 0.156,1346 8.931,1347 4.838,1348 7.415,1349 0.185,1350 0.085,1351 7.415,1352 3.406,1353 6.152,1354 0.118,1355 0.044,1356 6.152,1357 2.28,1358 5.232,1359 0.077,1360 0.023,1361 5.232,1362 1.563,1363 0.392,1364 65.077,1365 0.253,1366 20.494,1367 0.757,1368 108,1369 327.153,1370 121.114,1371 311.766,1372 428.07,1373 294,1374 125,1375 314.526,1376 138.089,1377 316.718,1378 463.45,1379 298,1380 5.959}
{0 CHEMBL1290550,1 1.738,2 10.16,3 2.36,4 5.571,5 96.533,6 8.985,7 0.786,8 3.802,9 3.891,10 3.696,11 3.453,12 4.955,13 3.423,14 4.284,15 4.396,16 3.97,17 3.828,18 5.694,19 3.788,20 4.496,21 4.654,22 3.986,23 3.911,24 5.721,25 3.831,26 4.517,27 4.702,28 3.891,29 3.802,30 5.795,31 3.732,32 4.422,33 4.609,34 3.758,35 3.672,36 5.763,37 3.623,38 4.217,39 4.38,40 3.67,41 3.623,42 5.445,43 3.558,44 4.272,45 4.475,46 3.602,47 3.569,48 5.452,49 3.489,50 4.146,51 4.342,52 3.463,53 3.424,54 5.424,55 3.344,56 0.1,57 0.613,58 7.912,59 3.508,60 14.352,61 3.447,62 0.316,63 0.955,64 11.329,65 5.558,66 45.477,67 5.893,68 0.241,69 1.149,70 17.939,71 7.858,72 30.259,73 8.364,74 0.36,75 1.149,76 23.248,77 8.171,78 48.38,79 8.295,80 0.488,81 1.006,82 18.428,83 6.716,84 72.778,85 6.932,86 0.194,87 0.857,88 12.734,89 5.65,90 24.227,91 6.228,92 0.272,93 0.913,94 17.144,95 6.172,96 33.527,97 6.924,98 0.341,99 0.769,100 13.025,101 5.149,102 47.269,103 5.785,104 5,105 40,106 0.301,107 0.56,108 0.73,109 0.849,110 0.87,111 0.87,112 3.267,113 0.971,114 -2.84,115 -2.85,116 -2.76,119 46.2,142 8,143 3,144 2,145 3,151 1,161 1,172 9,174 1,175 3,178 3,180 3,183 8,187 9,190 1,192 4,195 5,199 8,204 4,207 2,211 3,212 5,217 3,220 3,224 5,227 1,229 2,232 4,237 4,240 1,242 1,245 5,249 2,250 3,254 1,258 5,263 4,271 5,275 850,276 16.971,277 16.971,278 16.971,279 16.971,280 16.971,281 14.16,282 6.038,283 10.014,284 17.319,285 13.864,286 13.864,287 13.864,288 13.864,289 13.864,290 9.657,291 3.814,292 4.772,293 14.442,294 3.548,295 2.045,296 1.064,297 0.378,298 0.256,299 0.256,300 3.965,303 1,304 1,305 1,306 563,307 3.162,310 59.156,311 226.089,314 100.427,318 1.539,319 27.92,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54,331 254,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.093,341 4.464,342 3.018,343 6.3,344 3.991,345 3.011,346 4.389,348 9.615,349 2.949,350 4.137,351 2.755,352 6.019,353 3.689,354 2.715,355 3.783,357 8.661,358 2.641,359 3.653,360 2.385,361 5.361,362 3.241,363 2.27,364 3.108,366 6.82,367 2.2,368 3.512,369 1.982,370 4.807,371 2.974,372 1.979,373 2.973,375 5.206,376 1.968,377 3.034,378 1.544,379 4.421,380 2.482,381 1.534,382 2.301,384 4.31,385 1.449,386 2.947,387 1.533,388 4.243,389 2.446,390 1.484,391 2.145,393 3.9,394 1.425,395 2.696,396 1.283,397 3.631,398 2.178,399 1.197,400 1.77,402 2.752,403 1.171,404 2.649,405 1.164,406 3.486,407 2.095,408 1.149,409 1.714,411 2.575,412 1.083,413 2.5,414 1,415 3.426,416 2,417 1,418 1.5,420 2.324,421 1,422 2.5,423 1,424 3.247,425 1.962,426 1,427 1.5,428 2.136,429 0.959,430 1.902,431 0.409,432 3.074,433 1.354,434 0.409,435 0.608,436 1.007,437 0.385,438 1.199,439 0.227,440 3.026,441 0.831,442 -0.12,443 -0.151,445 -0.344,446 -0.114,447 1,448 -0.115,449 2.593,450 0.448,451 -0.523,452 -0.712,454 -1.43,455 -0.507,456 0.89,457 -0.523,458 2.525,459 0.229,460 -0.73,461 -1.025,463 -1.645,464 -0.68,465 12.1,466 0.484,467 0.642,468 0.026,469 39.75,470 1.59,471 23.5,472 0.94,473 16.25,474 0.65,475 14.305,476 0.572,477 25.1,478 0.644,479 28.298,480 1.132,481 7.788,482 0.312,483 4.328,484 0.173,485 0.055,486 0.069,487 0.248,493 0.567,494 1.207,495 0.775,496 1.117,497 0.674,498 0.805,499 0.621,500 1.031,501 0.892,502 0.953,503 0.583,504 0.93,505 0.968,506 1.183,507 1.102,508 1.171,509 0.915,510 1.11,511 1.377,512 1.093,513 1.28,514 1.169,515 1.309,516 1.005,517 1.537,518 0.81,519 0.991,520 0.769,521 1.691,522 0.851,523 0.959,524 1.113,525 0.956,526 1.047,527 0.936,528 1.057,529 1.014,530 0.997,531 1.066,532 1.031,533 0.909,534 0.978,535 1.127,536 0.82,537 0.912,538 0.814,539 1.268,540 0.97,541 5.5,542 0.102,543 3.111,544 1.694,545 1.199,546 0.739,547 0.436,548 0.339,549 0.185,550 0.147,551 7603,552 22555,553 2.144,554 35.9,556 8,557 1,558 3,559 2,564 1.679,565 2.041,566 3.341,567 0.312,568 1,569 1,571 1,573 67.769,574 1.738,575 3.24,576 4.221,577 4.907,578 5.029,579 5.029,580 2.759,581 4.214,582 4.619,583 3.481,584 1044.2,585 7.979,586 12567.1,587 1,588 1,590 1,591 206.131,592 1.383,593 4.584,594 0.196,595 0.006,596 0.078,597 0.045,598 0.035,599 0.024,600 0.015,601 0.013,602 0.008,603 0.008,604 0.429,605 0.33,606 1,607 0.477,608 120.472,609 0.07,610 -0.117,611 0.209,612 -0.079,613 -0.175,614 0.042,615 0.256,616 0.024,617 -0.053,618 -0.032,619 0.238,620 -0.095,621 -0.074,622 -0.189,623 -0.085,624 -0.151,625 -0.028,626 -0.161,627 -0.198,628 -0.095,629 -0.112,630 -0.089,631 -0.061,632 -0.018,633 -0.138,634 0.162,635 -0.037,636 0.162,637 -0.145,638 0.091,639 -0.069,640 -0.137,641 -0.068,642 -0.112,643 -0.062,644 -0.121,645 -0.074,646 -0.006,647 -0.019,648 -0.027,649 -0.021,650 0.025,651 0.029,652 0.14,653 0.006,654 0.106,655 -0.056,656 -0.001,657 4.565,658 5.434,659 0.84,660 19.76,661 1.014,662 1.113,663 1.614,664 2.605,665 0.728,666 3.367,667 3.714,668 3.97,669 4.22,670 4.394,671 4.431,672 4.585,673 4.663,674 4.682,675 4.771,676 6.068,677 0.701,678 350.43,679 3.367,680 4.92,681 5.771,682 6.658,683 7.523,684 8.412,685 9.282,686 10.171,687 11.044,688 11.933,689 10.3,694 1,697 1,699 2,703 2,704 12,705 2,706 1,709 4,711 22,731 39,733 24,734 1,735 28,737 42,738 18,739 18,740 1,741 5,746 4,747 5,761 18,766 2,769 1,771 2,777 1,778 1,781 14,782 5,783 2,784 7,785 1,790 4,794 0.75,795 2,805 2,807 1,811 1,812 3,815 1,840 3,842 1,848 25,852 1,855 1,870 5.1,873 2,877 12.25,878 6.9,879 5.347,880 2.111,881 4.093,882 1.556,883 1.061,884 3.902,885 11.451,886 3.738,887 4.422,888 5.003,889 5.608,890 6.123,891 6.408,892 6.893,893 7.282,894 7.534,895 7.954,896 0.857,897 38,898 9.428,900 4.319,901 7.897,902 17.353,904 14.535,905 2.397,906 59.917,910 141.253,911 132.774,912 66.762,914 44.313,916 5.807,917 126.967,918 185.566,919 66.762,922 90.665,923 131.318,924 57.179,925 11.771,926 94.169,928 141.253,929 193.728,930 44.313,931 5.807,933 141.253,934 44.313,937 45.643,938 98.109,939 55.783,941 141.253,942 111.075,943 132.774,945 5.807,946 141.253,947 14.967,948 112,949 33.191,950 77.884,951 141.253,952 111.075,953 132.774,955 0.587,956 0.34,957 0.182,958 0.093,959 21,960 8,961 0.095,962 4,963 1,964 1.095,965 3.765,966 210.841,967 0.095,968 21,969 110.096,973 1,974 15.67,975 6.226,976 3.213,977 1.783,978 94.289,979 20.577,980 8.491,981 3.04,984 2.246,986 33.191,987 385.102,988 41,991 -3.649,993 24.868,999 39.556,1000 43.408,1001 0.329,1002 0.613,1003 0.799,1004 0.928,1005 0.951,1006 0.951,1007 4.959,1008 1.197,1009 5.784,1010 3.9,1011 4.394,1012 5.109,1014 6.632,1015 4.313,1016 6.215,1017 1.149,1018 7.37,1019 2.752,1020 4.111,1021 5.121,1023 7.825,1024 3.952,1025 7.568,1026 1,1027 9.073,1028 2.575,1029 6.071,1030 7.477,1032 10.858,1033 5.885,1034 8.967,1035 1,1036 10.851,1037 2.324,1038 6.635,1039 8.335,1041 12.897,1042 6.347,1043 10.404,1044 0.409,1045 12.679,1046 2.136,1047 8.092,1048 10.175,1050 15.528,1051 7.771,1052 11.867,1053 -0.12,1054 14.542,1055 1.007,1056 9.018,1057 11.401,1059 17.868,1060 8.59,1061 13.351,1062 -0.523,1063 16.43,1064 -0.344,1065 10.294,1066 13.046,1068 20.401,1069 9.817,1070 3.391,1071 -0.73,1072 18.336,1073 -1.43,1074 11.375,1075 14.437,1077 22.851,1078 10.794,1079 3.011,1080 12.507,1081 20.257,1082 -1.645,1083 12.591,1084 16.006,1086 25.365,1087 11.944,1088 2.715,1089 9.615,1090 22.189,1091 4.704,1092 13.738,1093 17.47,1095 27.857,1096 12.991,1097 2.27,1098 8.661,1099 24.13,1100 4.389,1101 14.937,1102 19.011,1104 30.372,1105 14.112,1106 1.979,1107 6.82,1108 26.079,1109 3.783,1110 16.113,1111 20.51,1113 32.881,1114 15.191,1115 1.534,1116 5.206,1117 28.034,1118 3.108,1119 17.311,1120 22.042,1122 35.4,1123 16.303,1124 1.484,1125 4.31,1126 29.995,1127 2.973,1128 18.503,1129 23.557,1131 37.917,1132 17.398,1133 7088,1134 12368,1135 19.068,1136 28.387,1137 42.556,1138 42.861,1139 42.412,1140 42.299,1141 42.28,1142 60.996,1144 123.626,1145 40.647,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1153 19.85,1154 5.093,1155 8.53,1156 1.52,1157 1.531,1158 1.515,1159 1.511,1160 1.51,1161 2.178,1163 4.415,1164 1.452,1165 4.13,1166 4.16,1167 4.736,1168 4.078,1169 7.717,1170 4.034,1171 4.054,1172 4.046,1173 4.071,1174 3.988,1175 6.999,1176 3.954,1177 3.824,1178 3.864,1179 3.776,1180 3.722,1181 5.079,1182 3.73,1183 3.59,1184 3.578,1185 3.667,1186 3.514,1187 4.862,1188 3.441,1189 3.322,1190 3.371,1191 3.252,1192 3.19,1193 4.714,1194 3.19,1195 2.866,1196 2.942,1197 2.779,1198 2.735,1199 4.328,1200 2.715,1201 2.854,1202 2.925,1203 2.699,1204 2.677,1205 3.946,1206 2.689,1207 2.801,1208 2.875,1209 2.687,1210 2.608,1211 3.914,1212 2.621,1213 0.173,1214 0.167,1215 0.261,1216 0.154,1217 0.121,1218 4.855,1219 0.168,1220 4.685,1222 7.308,1223 0.447,1224 4.31,1225 0.11,1226 3.391,1227 4.704,1229 12.507,1230 3.093,1231 1.983,1232 1.981,1233 2.025,1234 2.075,1235 1.176,1236 2.09,1237 1.927,1238 1.911,1239 1.992,1240 2.005,1241 1.121,1242 2.021,1243 1.712,1244 1.678,1245 1.795,1246 1.859,1247 0.878,1248 1.848,1249 1.464,1250 1.437,1251 1.639,1252 1.691,1253 0.614,1254 1.686,1255 1.405,1256 1.395,1257 1.246,1258 1.555,1259 0.559,1260 1.596,1261 1.021,1262 0.983,1263 1.181,1264 1.163,1265 0.294,1266 1.177,1267 0.886,1268 0.821,1269 1.139,1270 1.062,1271 0.218,1272 1.107,1273 0.755,1274 0.683,1275 1.016,1276 0.988,1277 0.054,1278 1.002,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.595,1285 8.529,1286 6.581,1287 10.186,1296 2.56,1305 27.336,1306 67.769,1307 126.356,1308 164.621,1309 191.376,1310 196.131,1311 196.131,1312 40.338,1313 7.358,1314 87.74,1315 96.12,1316 23,1317 12.466,1318 4.644,1319 3.807,1320 35.976,1321 92,1322 82,1323 0.192,1324 170.886,1325 280.61,1326 408.721,1327 15874,1329 17.278,1330 0.691,1331 0.555,1332 17.528,1333 13.864,1334 12.116,1335 0.433,1336 0.324,1337 7.617,1338 10.975,1339 7.346,1340 6.104,1341 12.937,1342 9.065,1343 11.345,1344 0.284,1345 0.18,1346 12.645,1347 7.203,1348 9.345,1349 0.18,1350 0.1,1351 10.45,1352 5.175,1353 7.908,1354 0.118,1355 0.054,1356 8.949,1357 3.62,1358 6.07,1359 0.076,1360 0.029,1361 6.924,1362 2.346,1363 0.301,1364 83.697,1365 0.229,1366 24.272,1367 0.528,1368 136,1369 412.287,1370 183.793,1371 427.401,1372 585.34,1373 394,1374 160,1375 409.653,1376 216.585,1377 455.347,1378 659.85,1379 426,1380 5.284}
{0 CHEMBL1290624,1 1.548,2 8.885,3 4.191,4 17.564,5 101.429,6 7.575,7 0.621,8 3.946,9 4.06,10 3.533,11 3.474,12 5.06,13 3.469,14 4.455,15 4.617,16 3.862,17 3.837,18 5.549,19 3.811,20 4.693,21 4.905,22 3.864,23 3.941,24 5.695,25 3.88,26 4.661,27 4.902,28 3.792,29 3.869,30 5.642,31 3.798,32 4.599,33 4.822,34 3.851,35 3.858,36 5.673,37 3.814,38 4.578,39 4.768,40 3.851,41 3.91,42 5.601,43 3.861,44 4.69,45 4.905,46 3.851,47 3.971,48 5.702,49 3.889,50 4.744,51 4.969,52 3.717,53 3.994,54 5.662,55 3.878,56 0.039,57 0.689,58 9.186,59 3.962,60 8.103,61 5.062,62 0.244,63 1.107,64 17.062,65 6.489,66 21.415,67 8.401,68 0.333,69 1.326,70 23.672,71 7.89,72 32.214,73 10.935,74 0.274,75 1.302,76 23.382,77 7.638,78 31.275,79 11.085,80 0.388,81 1.241,82 21.628,83 6.688,84 39.511,85 9.723,86 0.189,87 1.244,88 19.717,89 6.863,90 21.039,91 9.471,92 0.384,93 1.312,94 23.259,95 8.433,96 33.718,97 11.883,98 0.238,99 1.298,100 25.177,101 9.87,102 30.799,103 13.415,104 2,105 39,106 0.264,107 0.585,108 0.708,109 0.817,110 0.839,111 0.839,112 3.305,113 0.891,114 -4.46,115 -4.39,116 -4.14,119 43.5,125 4,142 10,143 1,144 2,146 1,147 1,150 1,172 8,174 3,175 3,178 1,180 5,183 9,186 1,187 2,192 4,195 6,199 6,202 2,204 3,207 3,211 2,212 7,215 1,217 3,220 3,224 7,229 1,232 3,237 8,240 3,241 1,242 1,245 6,250 4,258 7,263 3,268 2,271 6,275 960,276 18.016,277 18.016,278 18.016,279 18.016,280 18.016,281 15.88,282 22.098,283 11.022,284 18.499,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 11.245,291 36.024,292 5.349,293 15.21,294 3.976,295 2.096,296 1.374,297 0.739,298 0.609,299 0.609,300 4.008,304 1,305 1,306 505,307 2.121,311 331.254,318 1.219,319 20.201,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 231,332 4.378,333 3.189,334 6.319,335 3.981,336 3.034,337 4.047,338 0.86,339 9.732,340 2.894,341 4.038,342 2.896,343 6.033,344 3.676,345 2.728,346 3.589,347 0.8,348 8.707,349 2.571,350 3.905,351 2.769,352 5.552,353 3.548,354 2.595,355 3.424,356 0.4,357 7.591,358 2.468,359 3.619,360 2.485,361 5.125,362 3.252,363 2.295,364 2.896,366 6.335,367 2.189,368 3.416,369 2.276,370 4.944,371 3.007,372 2.056,373 2.712,375 5.764,376 1.949,377 2.96,378 2.134,379 4.415,380 2.651,381 1.749,382 2.088,384 4.383,385 1.574,386 2.833,387 1.572,388 4.135,389 2.405,390 1.431,391 1.949,393 3.57,394 1.389,395 2.786,396 1.404,397 3.587,398 2.308,399 1.339,400 1.887,402 3.015,403 1.293,404 2.548,405 1.335,406 3.491,407 2.061,408 1.114,409 1.571,411 2.613,412 1.053,413 2.5,414 1.256,415 3.469,416 2,417 1,418 1.5,420 2.476,421 1,422 2.198,423 1.044,424 3.247,425 1.952,426 1,427 1.171,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.913,434 1,435 1,436 2.136,437 0.905,438 1.294,439 0.152,440 2.87,441 0.94,447 0.98,448 -0.057,449 2.658,450 0.562,451 -0.384,452 -0.493,454 -0.869,455 -0.357,456 0.847,457 -0.326,458 2.49,459 0.453,460 -0.479,461 -0.563,463 -1.252,464 -0.445,465 12.267,466 0.472,467 0.482,468 0.019,469 37,470 1.423,471 19.5,472 0.75,473 17.5,474 0.673,475 17.842,476 0.686,477 27.333,478 0.594,479 26.392,480 1.015,481 7.445,482 0.286,483 5.331,484 0.205,485 0.027,487 0.277,493 0.967,494 1.342,495 0.78,496 1.06,497 0.954,498 0.918,499 1.088,500 1.061,501 0.952,502 1.004,503 0.72,504 0.969,505 1.173,506 1.137,507 1.05,508 0.963,509 1.044,510 0.979,511 0.843,512 1.082,513 0.929,514 0.944,515 0.871,516 0.932,517 0.9,518 0.976,519 0.898,520 0.776,521 0.83,522 0.803,523 1.059,524 1.221,525 1.082,526 1.07,527 0.934,528 1.057,529 0.671,530 0.985,531 0.999,532 1.026,533 0.614,534 1.048,535 0.913,536 0.936,537 1.097,538 1.12,539 0.914,540 1.135,541 4.5,542 0.062,543 1.778,544 1.188,545 1.018,546 0.736,547 0.549,548 0.278,549 0.148,550 0.126,551 7845,552 20206,553 2.172,554 43.5,556 18,559 2,564 1.699,565 2.108,566 3.156,567 0.251,569 1,573 71.207,574 1.548,575 3.427,576 4.149,577 4.784,578 4.915,579 4.915,580 2.445,581 4.162,582 4.671,583 3.312,584 1076.53,585 8.137,586 13531.6,588 1,590 1,591 254.084,592 1.058,593 4.663,594 0.155,595 0.005,596 0.046,597 0.031,598 0.029,599 0.019,600 0.014,601 0.008,602 0.005,603 0.005,604 0.317,605 0.17,606 1,607 0.362,608 125.593,609 -0.08,610 -0.195,611 0.049,612 -0.047,613 -0.117,614 0.008,615 -0.008,616 0.049,617 -0.045,618 -0.038,619 0.045,620 -0.056,621 -0.128,622 -0.093,623 -0.085,624 -0.016,625 -0.114,626 -0.042,627 -0.015,628 -0.034,629 0.043,630 -0.011,631 -0.025,632 0.021,633 0.058,634 0.12,635 0.07,636 0.14,637 0.079,638 0.117,639 -0.177,640 -0.105,641 -0.171,642 -0.125,643 -0.136,644 -0.136,645 0.161,646 0.052,647 -0.061,648 -0.054,649 0.135,650 -0.083,651 -0.089,652 0.009,653 -0.147,654 -0.101,655 -0.088,656 -0.123,657 1.452,658 3.811,659 0.923,660 22.533,661 1.003,662 1.125,663 3.234,664 10.456,665 0.674,666 3.401,667 3.689,668 3.932,669 4.205,670 4.466,671 4.489,672 4.691,673 4.82,674 4.949,675 4.977,676 5.757,677 0.646,678 348.44,679 3.401,680 4.92,681 5.753,682 6.613,683 7.463,684 8.332,685 9.191,686 10.064,687 10.929,688 11.805,689 8.7,695 1,697 1,699 2,704 10,705 2,709 6,711 18,724 1,726 1,728 1,731 46,733 18,734 2,735 29,737 49,738 20,739 16,740 3,741 9,746 4,747 4,761 16,762 4,778 1,781 20,782 6,783 2,784 6,790 4,794 1,795 2,806 1,812 4,839 1,840 4,848 26,853 1,854 4,855 1,856 1,859 1,870 4.3,872 1,874 1,877 12.333,878 8.05,879 5.722,880 2.688,881 2.914,882 1.401,883 0.987,884 5,885 10.178,886 3.664,887 4.227,888 4.769,889 5.345,890 5.913,891 6.094,892 6.555,893 6.958,894 7.356,895 7.64,896 0.833,897 38,898 9.579,900 4.034,901 7.654,902 18.422,904 14.975,905 2.154,906 56,909 1,910 211.88,911 121.085,912 54.706,914 53.683,917 121.085,918 265.563,919 54.706,921 13.396,922 94.762,923 87.254,924 29.834,925 4.227,926 211.88,928 211.88,929 175.791,930 53.683,933 211.88,934 42.683,935 11,937 36.063,938 106.157,939 33.571,941 211.88,942 108.389,943 121.085,946 211.88,947 26.322,948 97.887,949 18.011,950 87.254,951 211.88,952 108.389,953 121.085,955 0.569,956 0.321,957 0.18,958 0.104,959 19,960 7,961 0.082,962 4,964 1,965 3.858,966 221.908,968 24,969 111.457,974 16.824,975 7.727,976 4.148,978 108.389,979 18.895,980 9.404,984 4.153,986 60.694,987 441.354,988 38,999 46.131,1000 51.734,1001 0.28,1002 0.62,1003 0.751,1004 0.866,1005 0.89,1006 0.89,1007 4.871,1008 1.339,1009 5.7,1010 3.57,1011 4.369,1012 4.913,1013 1.324,1014 6.45,1015 4.267,1016 6.042,1017 1.114,1018 7.209,1019 3.015,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.589,1025 7.315,1026 1,1027 8.814,1028 2.613,1029 5.894,1030 7.026,1031 0.958,1032 10.277,1033 5.692,1034 8.621,1035 1,1036 10.48,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.841,1042 5.838,1043 9.958,1044 1,1045 12.184,1046 2.136,1047 7.681,1048 9.401,1049 0.736,1050 14.425,1051 7.381,1052 11.317,1054 13.916,1055 2.136,1056 8.313,1057 10.179,1058 0.188,1059 16.357,1060 7.944,1061 12.693,1062 -0.384,1063 15.667,1065 9.618,1066 11.915,1067 0.57,1068 18.738,1069 9.219,1070 3.034,1071 -0.479,1072 17.432,1073 -0.869,1074 10.467,1075 12.932,1076 0.125,1077 20.841,1078 10.005,1079 2.728,1080 9.732,1081 19.209,1082 -1.252,1083 11.647,1084 14.515,1085 0.439,1086 23.142,1087 11.151,1088 2.595,1089 8.707,1090 20.994,1091 4.047,1092 12.611,1093 15.675,1094 0.082,1095 25.325,1096 12.056,1097 2.295,1098 7.591,1099 22.786,1100 3.589,1101 13.735,1102 17.171,1103 0.334,1104 27.596,1105 13.142,1106 2.056,1107 6.335,1108 24.584,1109 3.424,1110 14.759,1111 18.42,1112 0.054,1113 29.819,1114 14.112,1115 1.749,1116 5.764,1117 26.387,1118 2.896,1119 15.86,1120 19.866,1121 0.252,1122 32.08,1123 15.171,1124 1.431,1125 4.383,1126 28.194,1127 2.712,1128 16.916,1129 21.17,1130 0.035,1131 34.322,1132 16.177,1133 7387,1134 11974,1135 20.167,1136 31.023,1137 42.912,1138 42.928,1139 42.938,1140 42.751,1141 42.68,1142 55.666,1143 4.12,1144 116.915,1145 40.463,1146 5.378,1147 5.189,1148 6.121,1149 5.085,1150 5.034,1151 7.047,1152 1.72,1153 16.246,1154 4.894,1155 6.582,1156 1.48,1157 1.48,1158 1.481,1159 1.474,1160 1.472,1161 1.92,1162 0.142,1163 4.032,1164 1.395,1165 4.015,1166 4.055,1167 3.974,1168 3.912,1169 6.471,1170 3.92,1171 3.878,1172 3.909,1173 3.811,1174 3.812,1175 5.006,1176 3.807,1177 3.793,1178 3.841,1179 3.714,1180 3.612,1181 4.753,1182 3.633,1183 3.616,1184 3.663,1185 3.525,1186 3.44,1187 4.613,1188 3.453,1189 3.111,1190 3.206,1191 2.976,1192 2.941,1193 4.558,1194 2.91,1195 3.059,1196 3.132,1197 2.884,1198 2.87,1199 4.072,1200 2.884,1201 2.967,1202 3.008,1203 2.866,1204 2.747,1205 3.869,1206 2.769,1207 2.914,1208 2.964,1209 2.783,1210 2.739,1211 3.674,1212 2.742,1213 0.151,1214 0.11,1215 0.218,1216 0.137,1217 0.105,1218 4.378,1219 0.14,1220 3.189,1221 0.03,1222 6.319,1223 0.336,1224 3.981,1225 0.1,1226 3.034,1227 4.047,1228 0.86,1229 9.732,1230 2.894,1231 1.947,1232 1.92,1233 2.037,1234 2.078,1235 1.202,1236 2.063,1237 1.878,1238 1.849,1239 1.998,1240 1.97,1241 1.105,1242 1.981,1243 1.732,1244 1.679,1245 1.917,1246 1.942,1247 1.058,1248 1.939,1249 1.559,1250 1.513,1251 1.688,1252 1.748,1253 0.825,1254 1.735,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.727,1260 1.429,1261 0.995,1262 0.935,1263 1.194,1264 1.244,1265 0.269,1266 1.229,1267 0.886,1268 0.84,1269 1.181,1270 1.157,1271 0.249,1272 1.136,1273 0.883,1274 0.821,1275 1.14,1276 1.115,1277 0.218,1278 1.123,1279 4.078,1281 5.371,1283 6.866,1285 8.447,1287 10.072,1294 9.811,1295 2.852,1296 3.337,1297 5.432,1300 2.117,1305 29.73,1306 71.207,1307 157.645,1308 190.865,1309 220.084,1310 226.084,1311 226.084,1312 32.966,1313 7.263,1314 70.51,1315 70.51,1316 24,1317 12.346,1318 4.248,1319 3.322,1320 37.658,1321 91,1322 86,1323 0.206,1324 181.867,1325 310.24,1326 435.515,1327 12643,1329 17.769,1330 0.683,1331 0.55,1332 17.769,1333 14.299,1334 12.776,1335 0.441,1336 0.297,1337 8.481,1338 12.277,1339 8.342,1340 6.877,1341 12.776,1342 8.611,1343 11.263,1344 0.289,1345 0.156,1346 11.263,1347 6.079,1348 9.229,1349 0.185,1350 0.084,1351 9.229,1352 4.196,1353 7.905,1354 0.12,1355 0.044,1356 7.905,1357 2.886,1358 6.64,1359 0.077,1360 0.023,1361 6.64,1362 1.959,1363 0.314,1364 80.033,1365 0.223,1366 24.818,1367 0.592,1368 136,1369 387.153,1370 149.78,1371 375.192,1372 520.16,1373 354,1374 157,1375 387.371,1376 170.755,1377 391.901,1378 572.27,1379 370,1380 5.886}
{0 CHEMBL1290625,1 1.582,2 10.393,3 4.175,4 17.426,5 107.893,6 7.569,7 0.581,8 4.03,9 4.141,10 3.612,11 3.524,12 5.154,13 3.528,14 4.546,15 4.709,16 3.94,17 3.882,18 5.642,19 3.869,20 4.75,21 4.946,22 3.963,23 4.004,24 5.781,25 3.959,26 4.757,27 4.985,28 3.881,29 3.972,30 5.751,31 3.9,32 4.733,33 4.967,34 3.916,35 3.958,36 5.774,37 3.896,38 4.676,39 4.878,40 3.909,41 3.963,42 5.676,43 3.913,44 4.745,45 4.955,46 3.934,47 4.012,48 5.779,49 3.942,50 4.818,51 5.038,52 3.833,53 4.055,54 5.751,55 3.953,56 0.061,57 0.739,58 10.121,59 4.358,60 8.87,61 5.516,62 0.345,63 1.165,64 19.374,65 7.023,66 26.238,67 8.98,68 0.409,69 1.384,70 24.847,71 8.236,72 34.357,73 11.276,74 0.347,75 1.407,76 25.505,77 8.456,78 34.615,79 12.158,80 0.482,81 1.371,82 25.262,83 7.981,84 44.519,85 11.852,86 0.267,87 1.334,88 22.468,89 7.602,90 23.907,91 10.712,92 0.479,93 1.373,94 24.628,95 8.634,96 37.074,97 12.245,98 0.313,99 1.38,100 27.22,101 10.426,102 33.073,103 14.169,104 6,105 42,106 0.266,107 0.602,108 0.746,109 0.829,110 0.838,111 0.838,112 3.375,113 0.884,114 -3.93,115 -3.88,116 -3.68,119 42,124 1,125 4,142 9,143 1,144 3,146 1,147 1,150 1,172 6,174 3,175 5,178 1,180 5,183 7,186 1,187 4,192 4,195 6,199 6,202 2,204 2,207 3,211 2,212 7,215 2,217 3,220 3,224 6,229 1,232 2,236 1,237 9,240 3,241 1,242 1,245 6,250 2,258 6,262 2,263 4,268 2,271 4,275 1280,276 19.334,277 19.334,278 19.334,279 19.334,280 19.334,281 17.225,282 26.412,283 11.606,284 19.996,285 15.303,286 15.303,287 15.303,288 15.303,289 15.303,290 12.073,291 40.676,292 5.523,293 16.294,294 4.062,295 2.062,296 1.201,297 0.71,298 0.655,299 0.655,300 4.076,304 1,305 1,306 632,307 2.449,311 366.926,318 1.536,319 23.724,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 291,332 4.379,333 3.189,334 6.319,335 3.981,336 3.035,337 4.047,338 0.86,339 9.732,340 2.894,341 4.067,342 2.916,343 6.033,344 3.681,345 2.729,346 3.657,347 0.86,348 8.707,349 2.595,350 3.996,351 2.871,352 5.592,353 3.626,354 2.674,355 3.542,356 0.8,357 7.693,358 2.524,359 3.661,360 2.681,361 5.308,362 3.333,363 2.395,364 2.913,365 0.4,366 6.834,367 2.242,368 3.532,369 2.448,370 5.066,371 3.148,372 2.203,373 2.852,375 6.148,376 2.071,377 3.302,378 2.273,379 4.898,380 2.903,381 1.96,382 2.562,384 5.632,385 1.842,386 2.919,387 2.064,388 4.41,389 2.62,390 1.719,391 2.013,393 4.361,394 1.542,395 2.789,396 1.519,397 4.134,398 2.323,399 1.362,400 1.887,402 3.562,403 1.305,404 2.549,405 1.338,406 3.493,407 2.066,408 1.119,409 1.572,411 2.617,412 1.058,413 2.5,414 1.256,415 3.469,416 2,417 1,418 1.5,420 2.476,421 1,422 2.198,423 1.12,424 3.414,425 1.952,426 1,427 1.171,428 2.275,429 0.946,430 2,431 1.042,432 3.247,433 1.913,434 1,435 1,436 2.136,437 0.905,438 1.748,439 1,440 3.039,441 1.46,442 0.589,443 0.659,445 1.012,446 0.508,447 1.241,448 0.266,449 2.667,450 0.915,456 0.981,457 -0.057,458 2.635,459 0.563,460 -0.384,461 -0.493,463 -0.869,464 -0.357,465 13.1,466 0.468,467 0.55,468 0.02,469 39,470 1.393,471 20,472 0.714,473 19,474 0.679,475 20.243,476 0.723,477 30.1,478 0.602,479 29.181,480 1.042,481 7.93,482 0.283,483 5.778,484 0.206,485 0.064,487 0.298,493 0.96,494 1.403,495 0.778,496 1.134,497 0.949,498 0.956,499 1.208,500 1.002,501 0.931,502 0.922,503 0.785,504 0.889,505 1.174,506 1.159,507 1.057,508 0.977,509 1.054,510 0.987,511 0.834,512 1.132,513 0.991,514 1.018,515 0.901,516 1.016,517 0.66,518 0.989,519 0.861,520 0.833,521 0.733,522 0.856,523 0.944,524 1.213,525 1.022,526 1.04,527 0.89,528 1.023,529 0.642,530 0.987,531 0.979,532 1.01,533 0.597,534 1.034,535 0.877,536 0.967,537 1.047,538 1.107,539 0.907,540 1.106,541 5.5,542 0.132,543 2.222,544 1.25,545 1.249,546 0.854,547 0.631,548 0.326,549 0.217,550 0.232,551 9647,552 26044,553 2.137,554 44,556 20,559 2,564 1.717,565 2.049,566 3.325,567 0.247,569 1,573 79.092,574 1.582,575 3.582,576 4.443,577 4.934,578 4.989,579 4.989,580 2.751,581 4.182,582 4.775,583 3.497,584 1321.77,585 8.34,586 17481,588 1,590 1,591 282.193,592 1.198,593 4.76,594 0.177,595 0.007,596 0.053,597 0.03,598 0.033,599 0.021,600 0.016,601 0.008,602 0.006,603 0.008,604 0.359,605 0.33,606 1,607 0.615,608 139.617,609 -0.079,610 -0.231,611 0.054,612 -0.087,613 -0.11,614 -0.009,615 -0.079,616 0.105,617 -0.002,618 0.058,619 0.032,620 0.034,621 -0.157,622 -0.09,623 -0.108,624 -0.016,625 -0.118,626 -0.049,627 -0.054,628 -0.07,629 -0.043,630 -0.066,631 -0.077,632 -0.055,633 0.118,634 0.084,635 0.096,636 0.107,637 0.1,638 0.101,639 -0.142,640 -0.103,641 -0.104,642 -0.08,643 -0.113,644 -0.078,645 0.155,646 0.087,647 -0.05,648 -0.037,649 0.154,650 -0.071,651 -0.077,652 0.002,653 -0.105,654 -0.083,655 -0.082,656 -0.091,657 1.464,658 3.848,659 0.857,660 26.531,661 1.007,662 1.127,663 2.697,664 7.276,665 0.665,666 3.466,667 3.761,668 4.007,669 4.263,670 4.533,671 4.575,672 4.762,673 4.883,674 5.03,675 5.106,676 6.296,677 0.639,678 378.47,679 3.466,680 4.99,681 5.826,682 6.688,683 7.541,684 8.409,685 9.27,686 10.142,687 11.008,688 11.883,689 8,695 1,697 1,699 2,704 9,705 2,709 7,711 18,724 1,726 1,728 1,729 1,731 50,733 18,734 2,735 31,737 53,738 21,739 16,740 4,741 8,746 4,747 4,761 16,762 5,778 1,781 22,782 7,783 2,784 7,790 4,794 1,795 3,806 1,812 4,839 1,840 4,844 1,848 28,853 1,854 4,855 1,856 2,859 1,870 6,872 1,874 1,875 1,877 13.667,878 9.133,879 6.222,880 2.84,881 2.964,882 1.399,883 0.971,884 5.718,885 10.397,886 3.714,887 4.284,888 4.83,889 5.398,890 5.975,891 6.178,892 6.613,893 7.005,894 7.421,895 7.741,896 0.857,897 42,898 10.307,900 4.307,901 7.685,902 19.731,904 15.863,905 2.185,906 61.167,908 1,909 1,910 235.422,911 127.735,912 54.706,914 64.683,917 127.735,918 300.105,919 54.706,920 10.883,921 13.396,922 85.286,923 87.254,924 46.077,925 4.227,926 235.422,928 235.422,929 182.441,930 64.683,933 235.422,934 53.683,935 11,937 36.063,938 112.807,939 33.571,941 235.422,942 119.389,943 127.735,946 235.422,947 31.566,948 99.294,949 18.011,950 98.254,951 235.422,952 119.389,953 127.735,955 0.571,956 0.328,957 0.177,958 0.102,959 20,960 8,961 0.094,962 5,964 1,965 4.01,966 244.049,968 24,969 126.606,974 18.689,975 8.566,976 4.616,978 119.389,979 16.591,980 9.423,984 4.781,986 60.694,987 482.546,988 40,999 50.342,1000 56.358,1001 0.28,1002 0.635,1003 0.787,1004 0.874,1005 0.884,1006 0.884,1007 4.931,1008 1.362,1009 5.784,1010 4.361,1011 4.443,1012 4.97,1013 1.656,1014 6.541,1015 4.328,1016 6.109,1017 1.119,1018 7.302,1019 3.562,1020 3.892,1021 4.62,1022 0.325,1023 7.286,1024 3.714,1025 7.391,1026 1,1027 8.914,1028 2.617,1029 5.984,1030 7.1,1031 1.308,1032 10.362,1033 5.766,1034 8.705,1035 1,1036 10.581,1037 2.476,1038 6.236,1039 7.531,1040 0.268,1041 11.919,1042 5.953,1043 10.048,1044 1,1045 12.284,1046 2.275,1047 7.774,1048 9.485,1049 1.064,1050 14.486,1051 7.459,1052 11.412,1053 0.589,1054 14.011,1055 2.136,1056 8.42,1057 10.305,1058 0.188,1059 16.406,1060 8.042,1061 12.791,1063 15.756,1064 1.012,1065 9.705,1066 12.005,1067 0.862,1068 18.779,1069 9.296,1070 3.035,1071 -0.384,1072 17.515,1074 10.559,1075 13.047,1076 0.125,1077 20.872,1078 10.09,1079 2.729,1080 9.732,1081 19.285,1082 -0.869,1083 11.727,1084 14.607,1085 0.69,1086 23.168,1087 11.223,1088 2.674,1089 8.707,1090 21.063,1091 4.047,1092 12.69,1093 15.781,1094 0.082,1095 25.345,1096 12.13,1097 2.395,1098 7.693,1099 22.849,1100 3.657,1101 13.805,1102 17.262,1103 0.544,1104 27.613,1105 13.208,1106 2.203,1107 6.834,1108 24.641,1109 3.542,1110 14.827,1111 18.517,1112 0.054,1113 29.831,1114 14.177,1115 1.96,1116 6.148,1117 26.438,1118 2.913,1119 15.921,1120 19.953,1121 0.424,1122 32.09,1123 15.231,1124 1.719,1125 5.632,1126 28.239,1127 2.852,1128 16.974,1129 21.259,1130 0.035,1131 34.33,1132 16.234,1133 9173,1134 15192,1135 21.266,1136 33.239,1137 45.734,1138 46.279,1139 46.391,1140 45.605,1141 45.57,1142 58.754,1143 5.84,1144 126.37,1145 42.862,1146 5.379,1147 5.189,1148 6.121,1149 5.085,1150 5.035,1151 7.047,1152 1.72,1153 16.246,1154 4.894,1155 10.103,1156 1.475,1157 1.493,1158 1.496,1159 1.471,1160 1.47,1161 1.895,1162 0.188,1163 4.076,1164 1.383,1165 4.017,1166 4.056,1167 3.977,1168 3.913,1169 6.471,1170 3.922,1171 3.889,1172 3.913,1173 3.832,1174 3.813,1175 5.01,1176 3.813,1177 3.795,1178 3.842,1179 3.719,1180 3.612,1181 4.853,1182 3.634,1183 3.62,1184 3.666,1185 3.53,1186 3.441,1187 4.613,1188 3.455,1189 3.265,1190 3.327,1191 3.125,1192 2.99,1193 4.568,1194 3.011,1195 3.111,1196 3.206,1197 2.892,1198 2.941,1199 4.4,1200 2.91,1201 2.991,1202 3.069,1203 2.866,1204 2.798,1205 3.989,1206 2.808,1207 2.964,1208 3.008,1209 2.847,1210 2.745,1211 3.867,1212 2.745,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.379,1219 0.131,1220 3.189,1221 0.028,1222 6.319,1223 0.314,1224 3.981,1225 0.093,1226 3.035,1227 4.047,1228 0.86,1229 9.732,1230 2.894,1231 1.947,1232 1.92,1233 2.032,1234 2.078,1235 1.202,1236 2.062,1237 1.874,1238 1.85,1239 1.981,1240 1.977,1241 1.106,1242 1.978,1243 1.731,1244 1.679,1245 1.917,1246 1.942,1247 1.06,1248 1.939,1249 1.559,1250 1.514,1251 1.688,1252 1.754,1253 0.825,1254 1.738,1255 1.2,1256 1.131,1257 1.566,1258 1.514,1259 0.727,1260 1.529,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.573,1266 1.429,1267 0.935,1268 0.875,1269 1.181,1270 1.197,1271 0.267,1272 1.179,1273 0.886,1274 0.838,1275 1.149,1276 1.157,1277 0.218,1278 1.136,1279 4.143,1281 5.442,1283 6.942,1285 8.527,1287 10.154,1289 1.642,1294 9.848,1295 2.791,1296 3.332,1297 10.652,1300 2.106,1305 31.971,1306 79.092,1307 179.08,1308 222.154,1309 246.683,1310 249.438,1311 249.438,1312 37.838,1313 7.434,1314 79.74,1315 79.74,1316 24,1317 12.425,1318 4.248,1319 3.322,1320 42.118,1321 104,1322 126,1323 0.195,1324 195.455,1325 336.33,1326 468.671,1327 15725,1329 19.347,1330 0.691,1331 0.558,1332 19.347,1333 15.63,1334 13.708,1335 0.442,1336 0.295,1337 8.962,1338 13.052,1339 8.778,1340 7.252,1341 13.708,1342 9.134,1343 12.054,1344 0.287,1345 0.153,1346 12.054,1347 6.442,1348 10.048,1349 0.186,1350 0.084,1351 10.048,1352 4.513,1353 8.358,1354 0.119,1355 0.043,1356 8.358,1357 3.039,1358 7.028,1359 0.076,1360 0.022,1361 7.028,1362 2.061,1363 0.302,1364 86.739,1365 0.217,1366 26.567,1367 0.551,1368 146,1369 442.889,1370 162.659,1371 421.493,1372 580.51,1373 398,1374 169,1375 427.916,1376 185.413,1377 432.44,1378 629.77,1379 406,1380 6.721}
{0 CHEMBL1290671,1 1.75,2 10.964,3 2.1,4 4.41,5 106.935,6 8.92,7 0.71,8 3.912,9 4,10 3.779,11 3.55,12 5.09,13 3.523,14 4.404,15 4.524,16 4.073,17 3.926,18 5.811,19 3.893,20 4.616,21 4.758,22 4.128,23 4.032,24 5.904,25 3.973,26 4.673,27 4.839,28 4.08,29 3.969,30 6.01,31 3.916,32 4.648,33 4.842,34 3.931,35 3.86,36 5.993,37 3.812,38 4.432,39 4.612,40 3.837,41 3.796,42 5.655,43 3.738,44 4.435,45 4.617,46 3.788,47 3.755,48 5.678,49 3.687,50 4.395,51 4.589,52 3.685,53 3.635,54 5.717,55 3.565,56 0.115,57 0.676,58 8.689,59 4,60 15.685,61 4.007,62 0.356,63 1.058,64 13.512,65 6.495,66 50.53,67 7.02,68 0.338,69 1.268,70 19.597,71 8.714,72 46.816,73 8.964,74 0.462,75 1.325,76 24.913,77 9.151,78 55.862,79 9.372,80 0.668,81 1.247,82 23.165,83 8.203,84 97.841,85 8.767,86 0.289,87 1.047,88 16.779,89 7.005,90 35.389,91 7.979,92 0.318,93 1.052,94 18.422,95 7.124,96 37.899,97 7.952,98 0.474,99 0.963,100 16.853,101 6.595,102 68.973,103 7.546,104 18,105 45,106 0.295,107 0.622,108 0.76,109 0.846,110 0.864,111 0.864,112 3.375,113 0.962,114 -2.74,115 -2.76,116 -2.68,119 45.5,120 1,142 7,143 4,144 2,145 3,151 1,157 1,161 1,172 9,174 1,175 5,178 3,180 3,183 9,187 10,190 1,192 4,195 6,199 9,202 1,204 5,207 3,211 4,212 7,217 3,220 4,224 6,227 1,229 2,232 5,237 5,240 1,242 1,245 6,249 3,250 4,254 1,258 5,263 4,266 1,268 1,271 5,275 1182,276 18.679,277 18.679,278 18.679,279 18.679,280 18.679,281 15.73,282 8.466,283 10.87,284 18.972,285 15.316,286 15.316,287 15.316,288 15.316,289 15.316,290 10.824,291 5.656,292 5.145,293 15.813,294 3.709,295 1.772,296 0.953,297 0.443,298 0.335,299 0.335,300 4.068,304 1,305 1,306 668,307 3.674,310 66.493,311 257.051,314 114.252,318 1.686,319 37.575,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61,331 307,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 1.277,339 12.507,340 3.132,341 4.607,342 3.588,343 6.683,344 4.151,345 3.163,346 4.55,348 10.774,349 3.086,350 4.193,351 3.004,352 6.148,353 3.807,354 2.815,355 3.816,357 9.09,358 2.79,359 3.752,360 2.762,361 5.525,362 3.337,363 2.352,364 3.187,366 6.988,367 2.312,368 3.604,369 2.393,370 5.355,371 3.178,372 2.195,373 3.05,375 6.689,376 2.151,377 3.502,378 1.984,379 4.807,380 2.971,381 1.976,382 2.914,384 5.206,385 1.963,386 2.962,387 1.737,388 4.421,389 2.449,390 1.487,391 2.164,393 4.182,394 1.426,395 2.921,396 1.54,397 4.236,398 2.4,399 1.418,400 2.067,402 3.68,403 1.383,404 2.696,405 1.29,406 3.669,407 2.177,408 1.193,409 1.766,411 2.755,412 1.171,413 2.648,414 1.2,415 3.627,416 2.095,417 1.146,418 1.704,420 2.629,421 1.083,422 2.511,423 1.07,424 3.478,425 2,426 1,427 1.5,428 2.462,429 1,430 2.5,431 1,432 3.247,433 1.974,434 1,435 1.491,436 2.136,437 0.97,438 2,439 0.636,440 3.172,441 1.453,442 0.498,443 0.731,445 1.238,446 0.473,447 1.2,448 0.269,449 3.066,450 0.831,451 -0.12,452 -0.151,454 -0.343,455 -0.114,456 1,457 0.227,458 2.62,459 0.504,460 -0.465,461 -0.624,463 -1.253,464 -0.448,465 13.433,466 0.48,467 0.821,468 0.029,469 43,470 1.536,471 25,472 0.893,473 18,474 0.643,475 18.093,476 0.646,477 28.567,478 0.649,479 33.246,480 1.187,481 8.442,482 0.301,483 4.996,484 0.178,485 0.112,486 0.062,487 0.298,493 0.552,494 1.213,495 0.767,496 1.122,497 0.631,498 0.829,499 0.607,500 1,501 0.825,502 0.916,503 0.57,504 0.866,505 1.062,506 1.188,507 1.096,508 1.139,509 1.035,510 1.075,511 1.224,512 1.187,513 1.24,514 1.208,515 1.161,516 1.063,517 1.355,518 0.818,519 0.994,520 0.766,521 1.38,522 0.877,523 0.876,524 1.008,525 0.888,526 0.945,527 0.786,528 0.958,529 0.96,530 1.105,531 1.069,532 1.113,533 0.874,534 1.074,535 1.037,536 0.902,537 0.888,538 0.845,539 1.15,540 0.989,541 6.5,542 0.202,543 3.778,544 2.194,545 1.569,546 0.969,547 0.638,548 0.424,549 0.263,550 0.218,551 9912,552 31193,553 2.085,554 36.4,556 7,557 1,558 3,559 2,560 3,564 1.71,565 1.942,566 3.443,567 0.282,568 1,569 1,573 77.022,574 1.75,575 3.687,576 4.507,577 5.016,578 5.124,579 5.124,580 2.897,581 4.236,582 4.782,583 3.596,584 1359.31,585 8.311,586 17826.7,588 1,590 1,591 240.215,592 1.572,593 4.728,594 0.21,595 0.01,596 0.084,597 0.049,598 0.037,599 0.026,600 0.018,601 0.013,602 0.009,603 0.009,604 0.466,605 0.33,606 1,607 0.744,608 140.396,609 0.047,610 -0.109,611 0.193,612 -0.069,613 -0.138,614 0.039,615 0.202,616 0.058,617 0.025,618 0.03,619 0.18,620 0.007,621 -0.13,622 -0.179,623 -0.108,624 -0.123,625 -0.09,626 -0.145,627 -0.137,628 -0.171,629 -0.141,630 -0.162,631 -0.06,632 -0.109,633 -0.117,634 0.171,635 -0.05,636 0.146,637 -0.119,638 0.069,639 -0.06,640 -0.017,641 0.007,642 -0.008,643 -0.028,644 0.009,645 -0.082,646 -0.111,647 -0.086,648 -0.13,649 -0.037,650 -0.097,651 0.048,652 0.056,653 0.02,654 0.064,655 -0.049,656 -0.016,657 4.628,658 5.516,659 0.75,660 24.587,661 1.017,662 1.114,663 1.513,664 2.289,665 0.718,666 3.466,667 3.829,668 4.094,669 4.357,670 4.554,671 4.625,672 4.762,673 4.868,674 4.942,675 5.043,676 6.562,677 0.695,678 392.47,679 3.466,680 5.03,681 5.889,682 6.786,683 7.662,684 8.561,685 9.443,686 10.343,687 11.228,688 12.129,689 9.1,694 1,697 1,699 2,703 2,704 11,705 2,706 1,709 5,711 22,716 1,731 44,733 25,734 1,735 31,737 47,738 20,739 18,740 1,741 5,742 1,746 4,747 5,752 1,761 19,762 1,766 3,769 1,771 3,775 1,778 1,781 16,782 6,783 2,784 8,785 1,790 4,794 0.75,795 3,805 2,807 1,811 1,812 3,815 1,840 3,842 1,844 1,848 28,852 1,855 1,870 6.8,873 3,877 14.417,878 8.233,879 5.986,880 2.417,881 4.219,882 1.55,883 1.038,884 4.616,885 11.894,886 3.829,887 4.514,888 5.104,889 5.725,890 6.264,891 6.597,892 7.069,893 7.488,894 7.813,895 8.239,896 1,897 45,898 10.572,900 4.849,901 8.009,902 19.28,904 16.076,905 2.509,906 70.25,910 164.795,911 140.442,912 66.762,914 69.458,916 5.807,917 134.635,918 234.253,919 66.762,920 8.825,922 81.189,923 161.596,924 60.365,925 11.771,926 117.711,928 164.795,929 201.396,930 69.458,931 5.807,933 164.795,934 69.458,937 54.468,938 96.952,939 55.783,941 164.795,942 136.219,943 140.442,945 5.807,946 164.795,947 23.286,948 111.349,949 33.191,950 103.029,951 164.795,952 136.219,953 140.442,955 0.593,956 0.344,957 0.184,958 0.097,959 23,960 10,961 0.106,962 5,963 1,964 1.095,965 3.926,966 247.979,967 0.095,968 21,969 128.606,973 1,974 18.206,975 7.099,976 3.651,977 1.322,978 119.434,979 17.956,980 8.473,981 2.97,984 2.462,986 33.191,987 441.457,988 45,991 -3.711,993 36.809,997 -0.062,999 44.767,1000 49.033,1001 0.321,1002 0.675,1003 0.826,1004 0.919,1005 0.939,1006 0.939,1007 5.066,1008 1.418,1009 5.916,1010 4.182,1011 4.511,1012 5.201,1013 1.45,1014 6.786,1015 4.448,1016 6.33,1017 1.193,1018 7.519,1019 3.68,1020 4.29,1021 5.263,1023 7.993,1024 4.178,1025 7.69,1026 1.146,1027 9.236,1028 2.755,1029 6.205,1030 7.57,1031 1.845,1032 11.041,1033 6.059,1034 9.093,1035 1,1036 11.024,1037 2.629,1038 6.804,1039 8.459,1041 13.072,1042 6.588,1043 10.532,1044 1,1045 12.857,1046 2.462,1047 8.241,1048 10.277,1049 2.271,1050 15.713,1051 7.989,1052 11.998,1053 0.498,1054 14.722,1055 2.136,1056 9.185,1057 11.525,1059 18.039,1060 8.856,1061 13.483,1062 -0.12,1063 16.61,1064 1.238,1065 10.455,1066 13.164,1067 2.72,1068 20.57,1069 10.081,1070 3.391,1071 -0.465,1072 18.515,1073 -0.343,1074 11.543,1075 14.57,1077 23.005,1078 11.094,1079 3.163,1080 12.507,1081 20.433,1082 -1.253,1083 12.757,1084 16.141,1085 3.184,1086 25.511,1087 12.253,1088 2.815,1089 10.774,1090 22.361,1091 4.704,1092 13.907,1093 17.617,1095 27.989,1096 13.329,1097 2.352,1098 9.09,1099 24.298,1100 4.55,1101 15.104,1102 19.162,1103 3.658,1104 30.492,1105 14.465,1106 2.195,1107 6.988,1108 26.241,1109 3.816,1110 16.281,1111 20.669,1113 32.989,1114 15.569,1115 1.976,1116 6.689,1117 28.19,1118 3.187,1119 17.476,1120 22.206,1121 4.138,1122 35.496,1123 16.697,1124 1.487,1125 5.206,1126 30.144,1127 3.05,1128 18.666,1129 23.728,1131 38.003,1132 17.814,1133 9413,1134 16860,1135 20.572,1136 31.602,1137 47.758,1138 48.547,1139 48.194,1140 47.276,1141 47.266,1142 67.291,1143 2.555,1144 140.67,1145 45.882,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1152 2.555,1153 19.85,1154 5.132,1155 13.617,1156 1.541,1157 1.566,1158 1.555,1159 1.525,1160 1.525,1161 2.171,1162 0.082,1163 4.538,1164 1.48,1165 4.144,1166 4.173,1167 4.736,1168 4.082,1169 7.717,1170 4.053,1171 4.06,1172 4.048,1173 4.098,1174 4.007,1175 7.428,1176 3.96,1177 3.832,1178 3.869,1179 3.788,1180 3.735,1181 6.999,1182 3.743,1183 3.596,1184 3.589,1185 3.668,1186 3.52,1187 5.057,1188 3.451,1189 3.47,1190 3.501,1191 3.401,1192 3.308,1193 4.856,1194 3.311,1195 3.254,1196 3.318,1197 3.155,1198 3.065,1199 4.714,1200 3.073,1201 2.854,1202 2.925,1203 2.728,1204 2.735,1205 4.302,1206 2.715,1207 2.828,1208 2.902,1209 2.687,1210 2.658,1211 3.946,1212 2.661,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.109,1218 4.855,1219 0.152,1220 4.685,1221 0.041,1222 7.308,1223 0.403,1224 4.31,1225 0.101,1226 3.391,1227 4.704,1228 1.277,1229 12.507,1230 3.132,1231 1.985,1232 1.982,1233 2.026,1234 2.077,1235 1.179,1236 2.09,1237 1.932,1238 1.918,1239 1.993,1240 2.006,1241 1.133,1242 2.023,1243 1.731,1244 1.702,1245 1.823,1246 1.863,1247 0.915,1248 1.855,1249 1.583,1250 1.539,1251 1.734,1252 1.803,1253 0.755,1254 1.787,1255 1.406,1256 1.433,1257 1.501,1258 1.569,1259 0.56,1260 1.605,1261 1.222,1262 1.147,1263 1.23,1264 1.471,1265 0.52,1266 1.489,1267 0.974,1268 0.931,1269 1.181,1270 1.112,1271 0.284,1272 1.131,1273 0.886,1274 0.821,1275 1.118,1276 1.062,1277 0.218,1278 1.107,1279 4.143,1281 5.493,1282 2.398,1283 7.036,1284 4.727,1285 8.662,1286 6.843,1287 10.33,1289 1.496,1296 2.536,1305 30.578,1306 77.022,1307 162.245,1308 198.299,1309 220.705,1310 225.46,1311 225.46,1312 56.283,1313 7.675,1314 104.81,1315 113.19,1316 23,1317 12.653,1318 4.7,1319 3.907,1320 42.477,1321 111,1322 104,1323 0.187,1324 191.139,1325 321.36,1326 458.14,1327 23350,1329 19.725,1330 0.704,1331 0.561,1332 19.975,1333 15.695,1334 13.437,1335 0.433,1336 0.321,1337 8.474,1338 12.224,1339 8.134,1340 6.763,1341 14.259,1342 9.936,1343 12.803,1344 0.285,1345 0.176,1346 14.103,1347 7.942,1348 10.381,1349 0.176,1350 0.096,1351 11.485,1352 5.685,1353 8.802,1354 0.114,1355 0.052,1356 9.843,1357 3.975,1358 6.879,1359 0.073,1360 0.028,1361 7.732,1362 2.599,1363 0.294,1364 92.203,1365 0.22,1366 26.657,1367 0.513,1368 152,1369 484.023,1370 201.897,1371 493.513,1372 668.35,1373 454,1374 180,1375 464.289,1376 238.413,1377 510.126,1378 740.22,1379 477,1380 6.208}
{0 CHEMBL1290672,1 1.66,2 13.03,3 3.758,4 14.119,5 127.406,6 9.031,7 0.757,8 4.039,9 4.125,10 3.906,11 3.722,12 5.247,13 3.694,14 4.515,15 4.622,16 4.199,17 4.109,18 5.886,19 4.069,20 4.756,21 4.906,22 4.265,23 4.233,24 5.986,25 4.161,26 4.817,27 4.992,28 4.219,29 4.178,30 6.092,31 4.115,32 4.783,33 4.968,34 4.146,35 4.108,36 6.086,37 4.06,38 4.655,39 4.828,40 4.087,41 4.076,42 5.876,43 4.018,44 4.664,45 4.855,46 4.03,47 4.025,48 5.897,49 3.957,50 4.577,51 4.772,52 3.915,53 3.916,54 5.86,55 3.845,56 0.1,57 0.731,58 8.897,59 4.236,60 17.059,61 4.198,62 0.313,63 1.151,64 13.019,65 6.758,66 47.9,67 7.23,68 0.222,69 1.453,70 20.908,71 9.83,72 34.694,73 10.707,74 0.362,75 1.566,76 27.309,77 10.615,78 60.059,79 10.992,80 0.529,81 1.493,82 23.874,83 9.43,84 86.151,85 9.97,86 0.253,87 1.336,88 18.711,89 8.286,90 39.469,91 9.32,92 0.318,93 1.38,94 21.778,95 8.666,96 46.662,97 9.755,98 0.404,99 1.224,100 18.548,101 7.77,102 67.58,103 8.957,104 11,105 53,106 0.269,107 0.541,108 0.724,109 0.856,110 0.882,111 0.882,112 3.532,113 0.935,114 -3.61,115 -3.59,116 -3.42,119 50,142 11,143 6,144 2,145 3,151 1,158 1,161 1,172 16,174 1,175 4,178 3,180 3,183 17,187 11,190 1,192 5,195 13,199 11,204 6,207 8,211 3,212 9,217 5,220 9,224 8,227 1,229 3,232 10,237 7,240 2,242 1,245 10,249 3,250 6,254 1,255 1,258 8,263 7,268 2,271 6,275 1913,276 22.565,277 22.565,278 22.565,279 22.565,280 22.565,281 19.009,282 9.362,283 13.216,284 22.914,285 18.246,286 18.246,287 18.246,288 18.246,289 18.246,290 12.777,291 6.158,292 6.212,293 18.835,294 3.984,295 2.308,296 1.176,297 0.36,298 0.2,299 0.2,300 4.24,304 1,305 1,306 947,307 3.536,310 76.257,311 405.827,314 133.652,318 1.972,319 36.026,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 70.5,331 430,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 2.035,339 12.507,340 3.146,341 4.626,342 4.058,343 6.73,344 4.174,345 3.19,346 4.568,348 10.992,349 3.088,350 4.222,351 3.188,352 6.163,353 3.833,354 2.842,355 3.851,357 9.159,358 2.813,359 4.076,360 2.866,361 5.776,362 3.582,363 2.598,364 3.691,366 7.94,367 2.555,368 3.719,369 2.597,370 5.363,371 3.271,372 2.296,373 3.135,375 6.837,376 2.233,377 3.608,378 2.399,379 5.245,380 3.111,381 2.136,382 3.019,384 6.463,385 2.083,386 3.506,387 2.144,388 4.807,389 2.969,390 1.976,391 2.892,393 5.206,394 1.961,395 3.162,396 1.98,397 4.547,398 2.485,399 1.519,400 2.271,402 4.371,403 1.465,404 2.953,405 1.541,406 4.308,407 2.447,408 1.485,409 2.149,411 3.996,412 1.426,413 2.84,414 1.519,415 3.942,416 2.22,417 1.243,418 1.838,420 3.01,421 1.213,422 2.696,423 1.29,424 3.63,425 2.171,426 1.18,427 1.759,428 2.744,429 1.166,430 2.657,431 1.228,432 3.485,433 2.082,434 1.133,435 1.687,436 2.557,437 1.071,438 2.608,439 1.139,440 3.477,441 2,442 1,443 1.5,445 2.47,446 1,447 2.5,448 1,449 3.247,450 1.97,451 1,452 1.5,454 2.136,455 0.967,456 2.5,457 1,458 3.228,459 1.481,460 0.538,461 0.885,463 1.365,464 0.506,465 16,466 0.485,467 0.813,468 0.025,469 53.5,470 1.621,471 32.5,472 0.985,473 21,474 0.636,475 20.99,476 0.636,477 32,478 0.64,479 42.202,480 1.279,481 10.392,482 0.315,483 5.64,484 0.171,485 0.067,486 0.052,487 0.281,493 0.556,494 1.095,495 0.753,496 1.039,497 0.608,498 0.773,499 0.599,500 0.959,501 0.877,502 0.929,503 0.532,504 0.906,505 0.897,506 1.142,507 1.058,508 1.146,509 0.801,510 1.087,511 1.289,512 1.109,513 1.219,514 1.145,515 1.18,516 1.023,517 1.409,518 0.891,519 0.962,520 0.802,521 1.351,522 0.88,523 0.943,524 1.074,525 0.915,526 0.965,527 0.822,528 0.994,529 0.954,530 1.04,531 1.032,532 1.03,533 0.86,534 1.017,535 0.995,536 0.863,537 0.876,538 0.83,539 1.083,540 0.962,541 7,542 0.235,543 4,544 2.319,545 1.672,546 1.153,547 0.734,548 0.496,549 0.3,550 0.245,551 16252,552 49275,553 2.142,554 34,556 11,557 1,558 3,559 2,564 1.752,565 2.031,566 3.672,567 0.192,569 1,573 83,574 1.66,575 3.336,576 4.468,577 5.284,578 5.444,579 5.444,580 3.117,581 4.741,582 5.016,583 3.816,584 2014.59,585 8.784,586 29998.3,588 1,591 282.193,592 1.416,593 4.983,594 0.189,595 0.008,596 0.075,597 0.043,598 0.033,599 0.024,600 0.016,601 0.012,602 0.008,603 0.007,604 0.414,605 0.33,606 0.88,607 0.62,608 175.338,609 0.072,610 -0.069,611 0.182,612 -0.056,613 -0.113,614 0.044,615 0.247,616 0.044,617 -0.055,618 -0.023,619 0.181,620 -0.079,621 -0.041,622 -0.176,623 -0.072,624 -0.143,625 -0.012,626 -0.14,627 -0.166,628 -0.108,629 -0.112,630 -0.098,631 -0.075,632 -0.043,633 -0.118,634 0.108,635 -0.031,636 0.127,637 -0.117,638 0.074,639 -0.077,640 -0.081,641 -0.041,642 -0.051,643 -0.052,644 -0.052,645 -0.045,646 -0.027,647 -0.05,648 -0.063,649 -0.024,650 -0.035,651 0.057,652 0.121,653 0.024,654 0.091,655 -0.039,656 0.022,657 4.641,658 5.665,659 0.818,660 35.058,661 1.011,662 1.106,663 2.384,664 5.685,665 0.743,666 3.638,667 3.989,668 4.277,669 4.554,670 4.787,671 4.883,672 5.069,673 5.209,674 5.323,675 5.464,676 7.512,677 0.718,678 451.54,679 3.638,680 5.198,681 6.061,682 6.956,683 7.835,684 8.734,685 9.62,686 10.521,687 11.411,688 12.314,689 10,694 1,697 1,698 1,699 2,703 2,704 15,705 2,706 1,709 7,711 28,713 1,731 50,733 31,734 2,735 37,737 54,738 25,739 24,740 3,741 9,746 5,747 6,760 1,761 24,766 2,769 1,771 2,778 1,781 17,782 6,783 2,784 8,785 1,790 5,794 0.8,795 2,805 2,807 1,811 1,812 4,815 1,840 4,842 1,848 33,852 1,855 1,861 1,866 1,868 1,870 4,873 2,877 16.25,878 9.1,879 7.153,880 2.793,881 5.408,882 1.642,883 1.058,884 5.299,885 13.825,886 4.025,887 4.689,888 5.313,889 5.939,890 6.515,891 6.879,892 7.415,893 7.877,894 8.295,895 8.771,896 0.889,897 54,898 12.375,900 5.629,901 7.907,902 22.839,904 19.174,905 2.407,906 79.417,909 1,910 176.567,911 187.361,912 97.821,914 44.313,916 5.807,917 181.554,918 220.879,919 97.821,922 119.094,923 147.919,924 97.795,925 11.771,926 129.482,928 176.567,929 279.375,930 44.313,931 5.807,933 176.567,934 44.313,937 76.702,938 152.696,939 55.783,941 176.567,942 142.134,943 187.361,945 5.807,946 176.567,947 24.524,948 140.428,949 49.792,950 108.943,951 176.567,952 142.134,953 187.361,955 0.585,956 0.346,957 0.188,958 0.101,959 27,960 11,961 0.093,962 5,963 1,964 1.074,965 4.4,966 316.075,967 0.074,968 27,969 158.465,973 1,974 20.755,975 8.425,976 4.171,977 1.6,978 125.348,979 25.93,980 8.722,981 3.162,984 4.437,986 33.191,987 506.062,988 55,991 -3.724,993 25.33,999 50.542,1000 55.322,1001 0.294,1002 0.591,1003 0.792,1004 0.936,1005 0.965,1006 0.965,1007 5.263,1008 1.519,1009 6.071,1010 5.206,1011 4.673,1012 5.378,1013 2.228,1014 6.929,1015 4.61,1016 6.52,1017 1.485,1018 7.661,1019 4.371,1020 4.369,1021 5.338,1023 8.084,1024 4.249,1025 7.867,1026 1.243,1027 9.363,1028 3.996,1029 6.347,1030 7.727,1031 3.563,1032 11.145,1033 6.206,1034 9.258,1035 1.18,1036 11.136,1037 3.01,1038 6.889,1039 8.543,1041 13.144,1042 6.67,1043 10.684,1044 1.133,1045 12.957,1046 2.744,1047 8.354,1048 10.401,1049 4.962,1050 15.787,1051 8.112,1052 12.136,1053 1,1054 14.81,1055 2.557,1056 9.263,1057 11.602,1059 18.098,1060 8.938,1061 13.61,1062 1,1063 16.688,1064 2.47,1065 10.543,1066 13.256,1067 6.378,1068 20.628,1069 10.181,1070 3.391,1071 0.538,1072 18.584,1073 2.136,1074 11.613,1075 14.635,1077 23.056,1078 11.172,1079 3.19,1080 12.507,1081 20.494,1082 1.365,1083 12.828,1084 16.21,1085 7.797,1086 25.56,1087 12.337,1088 2.842,1089 10.992,1090 22.416,1091 4.704,1092 13.968,1093 17.671,1095 28.033,1096 13.402,1097 2.598,1098 9.159,1099 24.348,1100 4.568,1101 15.164,1102 19.216,1103 9.217,1104 30.535,1105 14.54,1106 2.296,1107 7.94,1108 26.287,1109 3.851,1110 16.335,1111 20.716,1113 33.028,1114 15.638,1115 2.136,1116 6.837,1117 28.232,1118 3.691,1119 17.529,1120 22.251,1121 10.638,1122 35.534,1123 16.767,1124 1.976,1125 6.463,1126 30.183,1127 3.135,1128 18.715,1129 23.769,1131 38.038,1132 17.881,1133 15129,1134 26521,1135 25.137,1136 37.154,1137 57.515,1138 59.351,1139 56.968,1140 55.904,1141 55.902,1142 80.445,1143 4.069,1144 164.744,1145 54.188,1146 5.682,1147 6.685,1148 7.11,1149 5.368,1150 5.391,1151 7.704,1152 4.069,1153 19.85,1154 5.146,1155 13.34,1156 1.554,1157 1.604,1158 1.54,1159 1.511,1160 1.511,1161 2.174,1162 0.11,1163 4.453,1164 1.465,1165 4.16,1166 4.189,1167 4.736,1168 4.093,1169 7.717,1170 4.08,1171 4.064,1172 4.05,1173 4.116,1174 4.032,1175 6.999,1176 3.965,1177 3.882,1178 3.91,1179 3.838,1180 3.82,1181 6.82,1182 3.819,1183 3.796,1184 3.836,1185 3.745,1186 3.693,1187 5.076,1188 3.701,1189 3.589,1190 3.576,1191 3.667,1192 3.513,1193 4.862,1194 3.441,1195 3.325,1196 3.371,1197 3.271,1198 3.203,1199 4.715,1200 3.205,1201 3.166,1202 3.221,1203 3.123,1204 3.01,1205 4.662,1206 3.03,1207 2.915,1208 2.979,1209 2.827,1210 2.764,1211 4.288,1212 2.769,1213 0.131,1214 0.127,1215 0.198,1216 0.116,1217 0.092,1218 4.855,1219 0.127,1220 4.685,1221 0.055,1222 7.308,1223 0.338,1224 4.31,1225 0.085,1226 3.391,1227 4.704,1228 2.035,1229 12.507,1230 3.146,1231 1.997,1232 1.987,1233 2.056,1234 2.081,1235 1.201,1236 2.093,1237 1.955,1238 1.951,1239 2,1240 2.018,1241 1.159,1242 2.04,1243 1.886,1244 1.86,1245 1.976,1246 1.974,1247 1.062,1248 1.98,1249 1.698,1250 1.663,1251 1.777,1252 1.857,1253 0.857,1254 1.843,1255 1.435,1256 1.436,1257 1.576,1258 1.635,1259 0.601,1260 1.633,1261 1.404,1262 1.379,1263 1.247,1264 1.55,1265 0.559,1266 1.585,1267 1.105,1268 1.059,1269 1.222,1270 1.283,1271 0.303,1272 1.265,1273 1.018,1274 0.978,1275 1.181,1276 1.154,1277 0.218,1278 1.169,1279 4.317,1281 5.659,1282 2.398,1283 7.201,1284 4.727,1285 8.827,1286 6.843,1287 10.495,1296 2.579,1303 9.219,1304 2.161,1305 35.884,1306 83,1307 166.781,1308 223.384,1309 264.193,1310 272.193,1311 272.193,1312 59.062,1313 8.417,1314 111.53,1315 119.91,1316 29,1317 12.836,1318 5,1319 4.248,1320 47.884,1321 149,1322 145,1323 0.155,1324 222.796,1325 376.25,1326 535.382,1327 60752,1329 22.838,1330 0.692,1331 0.547,1332 23.088,1333 18.043,1334 16.031,1335 0.433,1336 0.312,1337 10.072,1338 14.85,1339 9.736,1340 8.084,1341 16.852,1342 11.527,1343 14.76,1344 0.278,1345 0.171,1346 16.06,1347 9.078,1348 12.531,1349 0.176,1350 0.093,1351 13.635,1352 6.608,1353 10.652,1354 0.113,1355 0.05,1356 11.693,1357 4.679,1358 8.62,1359 0.072,1360 0.026,1361 9.474,1362 3.149,1363 0.246,1364 107.541,1365 0.199,1366 30.699,1367 0.421,1368 180,1369 531.933,1370 228.487,1371 552.782,1372 757.37,1373 510,1374 214,1375 536.061,1376 271.418,1377 588.392,1378 852.53,1379 551,1380 7.509}
{0 CHEMBL1290743,1 1.602,2 8.885,3 3.04,4 9.243,5 99.273,6 7.765,7 0.621,8 3.934,9 4.05,10 3.54,11 3.438,12 5.073,13 3.445,14 4.441,15 4.606,16 3.866,17 3.798,18 5.556,19 3.786,20 4.664,21 4.873,22 3.868,23 3.906,24 5.694,25 3.856,26 4.638,27 4.878,28 3.792,29 3.839,30 5.636,31 3.777,32 4.574,33 4.794,34 3.857,35 3.831,36 5.678,37 3.796,38 4.561,39 4.752,40 3.855,41 3.879,42 5.598,43 3.84,44 4.67,45 4.884,46 3.859,47 3.938,48 5.71,49 3.864,50 4.722,51 4.947,52 3.726,53 3.95,54 5.664,55 3.843,56 0.061,57 0.702,58 8.68,59 3.696,60 8.885,61 4.699,62 0.291,63 1.104,64 16.442,65 5.961,66 22.302,67 7.703,68 0.403,69 1.295,70 22.527,71 7.328,72 33.8,73 10.108,74 0.322,75 1.264,76 22.598,77 7.169,78 32.623,79 10.459,80 0.434,81 1.216,82 20.641,83 6.305,84 40.342,85 9.132,86 0.23,87 1.23,88 18.92,89 6.49,90 21.098,91 8.956,92 0.453,93 1.291,94 22.399,95 8.036,96 34.766,97 11.277,98 0.271,99 1.268,100 24.385,101 9.376,102 31.896,103 12.819,104 2,105 39,106 0.275,107 0.626,108 0.783,109 0.865,110 0.865,111 0.865,112 3.305,113 0.875,114 -3.48,115 -3.45,116 -3.3,119 42.2,125 4,142 7,143 1,144 2,145 2,146 1,147 1,150 1,172 5,174 3,175 4,178 1,180 4,183 5,186 1,187 3,190 1,192 3,195 4,199 5,202 2,204 2,207 2,211 3,212 7,215 1,217 3,220 2,224 4,229 1,232 1,236 2,237 7,240 3,241 1,242 1,245 3,250 4,258 3,263 3,268 1,271 2,275 960,276 18.016,277 18.016,278 18.016,279 18.016,280 18.016,281 15.88,282 22.098,283 11.022,284 18.565,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 11.245,291 36.024,292 5.349,293 15.306,294 3.89,295 1.843,296 0.926,297 0.444,298 0.444,299 0.444,300 4.008,303 1,304 1,305 1,306 505,307 2.121,311 331.254,318 1.219,319 22.164,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 231,332 4.378,333 3.189,334 6.319,335 3.981,336 3.034,337 4.047,338 0.86,339 9.732,340 2.894,341 4.038,342 2.896,343 6.033,344 3.675,345 2.728,346 3.589,347 0.8,348 8.707,349 2.568,350 3.905,351 2.769,352 5.552,353 3.542,354 2.595,355 3.424,356 0.4,357 7.591,358 2.451,359 3.619,360 2.485,361 5.125,362 3.249,363 2.295,364 2.896,366 6.335,367 2.182,368 3.416,369 2.276,370 4.944,371 3.003,372 2.056,373 2.712,375 5.764,376 1.94,377 2.96,378 2.134,379 4.415,380 2.648,381 1.749,382 2.088,384 4.383,385 1.567,386 2.833,387 1.572,388 4.135,389 2.381,390 1.431,391 1.949,393 3.57,394 1.355,395 2.786,396 1.404,397 3.587,398 2.301,399 1.339,400 1.887,402 3.015,403 1.285,404 2.548,405 1.335,406 3.491,407 2.061,408 1.114,409 1.571,411 2.613,412 1.053,413 2.5,414 1.256,415 3.469,416 1.956,417 1,418 1.5,420 2.476,421 0.953,422 2.198,423 1.044,424 3.247,425 1.952,426 1,427 1.171,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.913,434 1,435 1,436 2.136,437 0.905,438 1.294,439 0.152,440 2.87,441 0.93,447 0.98,448 -0.057,449 2.658,450 0.562,451 -0.384,452 -0.493,454 -0.869,455 -0.357,456 0.847,457 -0.326,458 2.49,459 0.453,460 -0.479,461 -0.563,463 -1.252,464 -0.445,465 12.167,466 0.468,467 0.482,468 0.019,469 37.5,470 1.442,471 19.5,472 0.75,473 18,474 0.692,475 17.575,476 0.676,477 27.433,478 0.61,479 26.659,480 1.025,481 7.526,482 0.289,483 5.25,484 0.202,485 0.027,487 0.279,493 0.972,494 1.43,495 0.757,496 1.1,497 0.934,498 0.925,499 1.128,500 1.06,501 0.943,502 0.975,503 0.747,504 0.938,505 1.154,506 1.101,507 1.056,508 0.966,509 1.042,510 0.987,511 0.841,512 1.067,513 0.922,514 0.944,515 0.875,516 0.93,517 0.862,518 0.96,519 0.901,520 0.799,521 0.808,522 0.826,523 1.032,524 1.245,525 1.06,526 1.092,527 0.911,528 1.064,529 0.625,530 0.921,531 0.987,532 1.033,533 0.602,534 1.061,535 0.873,536 1.029,537 1.061,538 1.184,539 0.891,540 1.166,541 4.5,542 0.062,543 1.778,544 1.188,545 1.018,546 0.736,547 0.549,548 0.278,549 0.148,550 0.126,551 7845,552 21330,553 2.172,554 42.2,556 15,558 2,559 2,564 1.699,565 2.108,566 3.156,567 0.289,568 1,569 1,573 72.103,574 1.602,575 3.649,576 4.566,577 5.047,578 5.047,579 5.047,580 2.445,581 4.162,582 4.671,583 3.312,584 1076.53,585 8.137,586 13531.6,588 1,590 1,591 247.133,592 1.058,593 4.663,594 0.155,595 0.005,596 0.046,597 0.031,598 0.029,599 0.019,600 0.014,601 0.008,602 0.005,603 0.005,604 0.317,605 0.33,606 1,607 0.362,608 125.593,609 -0.097,610 -0.265,611 0.05,612 -0.081,613 -0.105,614 -0.007,615 -0.057,616 0.056,617 -0.047,618 -0.012,619 0.026,620 -0.033,621 -0.127,622 -0.062,623 -0.101,624 -0.013,625 -0.119,626 -0.05,627 -0.032,628 -0.039,629 0.046,631 -0.035,632 0.033,633 0.065,634 0.123,635 0.052,636 0.126,637 0.081,638 0.098,639 -0.18,640 -0.142,641 -0.163,642 -0.136,643 -0.131,644 -0.137,645 0.201,646 0.111,647 -0.053,648 -0.053,649 0.147,650 -0.091,651 -0.06,652 -0.097,653 -0.109,654 -0.151,655 -0.065,656 -0.139,657 1.462,658 3.803,659 0.923,660 22.533,661 1.008,662 1.129,663 2.247,664 5.049,665 0.673,666 3.401,667 3.689,668 3.932,669 4.205,670 4.466,671 4.489,672 4.691,673 4.82,674 4.949,675 4.977,676 5.757,677 0.649,678 349.43,679 3.401,680 4.92,681 5.753,682 6.613,683 7.463,684 8.332,685 9.191,686 10.064,687 10.929,688 11.805,689 11.1,695 1,697 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 45,733 18,734 1,735 29,737 48,738 19,739 15,740 2,741 4,746 4,747 4,761 15,762 4,777 1,778 1,781 19,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 26,853 1,854 4,855 1,856 1,859 1,870 4.4,872 1,874 1,877 12.333,878 7.917,879 5.722,880 2.599,881 2.914,882 1.401,883 0.983,884 4.955,885 10.178,886 3.664,887 4.227,888 4.769,889 5.345,890 5.913,891 6.094,892 6.555,893 6.958,894 7.356,895 7.64,896 0.833,897 38,898 9.565,900 4.026,901 7.692,902 18.292,904 14.792,905 2.192,906 57,909 1,910 200.109,911 110.751,912 71.492,914 53.683,917 110.751,918 253.792,919 71.492,921 13.396,922 66.334,923 127.582,924 47.929,925 4.227,926 176.567,928 200.109,929 182.242,930 53.683,933 200.109,934 42.683,935 11,937 54.158,938 77.728,939 50.357,941 200.109,942 125.175,943 110.751,946 200.109,947 26.322,948 87.553,949 18.011,950 104.04,951 200.109,952 125.175,953 110.751,955 0.569,956 0.321,957 0.18,958 0.104,959 19,960 7,961 0.083,962 4,964 1,965 3.858,966 221.908,968 24,969 118.211,974 16.763,975 7.686,976 4.121,978 125.175,979 16.175,980 13.48,984 3.935,986 60.694,987 436.034,988 38,999 45.349,1000 50.817,1001 0.292,1002 0.664,1003 0.831,1004 0.919,1005 0.919,1006 0.919,1007 4.871,1008 1.339,1009 5.7,1010 3.57,1011 4.369,1012 4.913,1013 1.324,1014 6.45,1015 4.256,1016 6.042,1017 1.114,1018 7.209,1019 3.015,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.589,1025 7.315,1026 1,1027 8.814,1028 2.613,1029 5.894,1030 7.026,1031 0.958,1032 10.277,1033 5.676,1034 8.621,1035 1,1036 10.48,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.841,1042 5.835,1043 9.958,1044 1,1045 12.184,1046 2.136,1047 7.681,1048 9.401,1049 0.736,1050 14.425,1051 7.363,1052 11.317,1054 13.916,1055 2.136,1056 8.313,1057 10.179,1058 0.188,1059 16.357,1060 7.938,1061 12.693,1062 -0.384,1063 15.667,1065 9.618,1066 11.915,1067 0.57,1068 18.738,1069 9.201,1070 3.034,1071 -0.479,1072 17.432,1073 -0.869,1074 10.467,1075 12.932,1076 0.125,1077 20.841,1078 9.997,1079 2.728,1080 9.732,1081 19.209,1082 -1.252,1083 11.647,1084 14.515,1085 0.439,1086 23.142,1087 11.134,1088 2.595,1089 8.707,1090 20.994,1091 4.047,1092 12.611,1093 15.675,1094 0.082,1095 25.325,1096 12.047,1097 2.295,1098 7.591,1099 22.786,1100 3.589,1101 13.735,1102 17.171,1103 0.334,1104 27.596,1105 13.127,1106 2.056,1107 6.335,1108 24.584,1109 3.424,1110 14.759,1111 18.42,1112 0.054,1113 29.819,1114 14.102,1115 1.749,1116 5.764,1117 26.387,1118 2.896,1119 15.86,1120 19.866,1121 0.252,1122 32.08,1123 15.158,1124 1.431,1125 4.383,1126 28.194,1127 2.712,1128 16.916,1129 21.17,1130 0.035,1131 34.322,1132 16.167,1133 7387,1134 12300,1135 20.167,1136 30.267,1137 42.912,1138 42.928,1139 42.938,1140 42.73,1141 42.68,1142 55.666,1143 4.12,1144 116.915,1145 40.201,1146 5.378,1147 5.189,1148 6.121,1149 5.084,1150 5.034,1151 7.047,1152 1.72,1153 16.246,1154 4.894,1155 6.582,1156 1.48,1157 1.48,1158 1.481,1159 1.473,1160 1.472,1161 1.92,1162 0.142,1163 4.032,1164 1.386,1165 4.011,1166 4.052,1167 3.972,1168 3.906,1169 6.471,1170 3.914,1171 3.856,1172 3.895,1173 3.797,1174 3.745,1175 5.018,1176 3.753,1177 3.789,1178 3.839,1179 3.71,1180 3.604,1181 4.877,1182 3.625,1183 3.612,1184 3.659,1185 3.523,1186 3.437,1187 4.613,1188 3.45,1189 3.111,1190 3.206,1191 2.967,1192 2.941,1193 4.561,1194 2.91,1195 3.047,1196 3.121,1197 2.883,1198 2.856,1199 4.105,1200 2.87,1201 2.967,1202 3.008,1203 2.866,1204 2.747,1205 3.87,1206 2.767,1207 2.913,1208 2.964,1209 2.783,1210 2.739,1211 3.801,1212 2.742,1213 0.151,1214 0.11,1215 0.218,1216 0.137,1217 0.105,1218 4.378,1219 0.14,1220 3.189,1221 0.03,1222 6.319,1223 0.336,1224 3.981,1225 0.1,1226 3.034,1227 4.047,1228 0.86,1229 9.732,1230 2.894,1231 1.943,1232 1.916,1233 2.028,1234 2.076,1235 1.202,1236 2.059,1237 1.823,1238 1.784,1239 1.938,1240 1.957,1241 1.101,1242 1.955,1243 1.727,1244 1.673,1245 1.914,1246 1.941,1247 0.953,1248 1.937,1249 1.553,1250 1.508,1251 1.681,1252 1.744,1253 0.825,1254 1.73,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.715,1260 1.429,1261 0.983,1262 0.922,1263 1.191,1264 1.235,1265 0.268,1266 1.218,1267 0.883,1268 0.84,1269 1.14,1270 1.157,1271 0.244,1272 1.136,1273 0.873,1274 0.817,1275 1.106,1276 1.115,1277 0.158,1278 1.123,1279 4.078,1281 5.371,1283 6.866,1285 8.447,1287 10.072,1294 9.803,1295 2.807,1296 3.274,1297 5.424,1300 2.101,1305 29.224,1306 72.103,1307 164.198,1308 205.482,1309 227.133,1310 227.133,1311 227.133,1312 33.032,1313 7.263,1314 83.4,1315 83.4,1316 24,1317 12.346,1318 4.248,1319 3.322,1320 37.658,1321 91,1322 86,1323 0.206,1324 179.069,1325 303.94,1326 428.688,1327 12643,1329 17.769,1330 0.683,1331 0.545,1332 17.769,1333 14.169,1334 12.776,1335 0.441,1336 0.292,1337 8.313,1338 12.203,1339 8.187,1340 6.743,1341 12.776,1342 8.461,1343 11.263,1344 0.289,1345 0.153,1346 11.263,1347 5.955,1348 9.229,1349 0.185,1350 0.082,1351 9.229,1352 4.084,1353 7.905,1354 0.12,1355 0.042,1356 7.905,1357 2.801,1358 6.64,1359 0.077,1360 0.022,1361 6.64,1362 1.888,1363 0.314,1364 80.533,1365 0.223,1366 24.818,1367 0.592,1368 136,1369 406.799,1370 151.168,1371 392.432,1372 541.56,1373 370,1374 157,1375 401.484,1376 172.282,1377 405.542,1378 590.83,1379 382,1380 7.252}
{0 CHEMBL1290744,1 1.634,2 10.393,3 3.563,4 12.695,5 106.049,6 7.744,7 0.581,8 4.019,9 4.13,10 3.619,11 3.49,12 5.164,13 3.506,14 4.533,15 4.699,16 3.948,17 3.843,18 5.657,19 3.843,20 4.72,21 4.917,22 3.968,23 3.963,24 5.779,25 3.929,26 4.731,27 4.962,28 3.88,29 3.929,30 5.748,31 3.872,32 4.688,33 4.911,34 3.921,35 3.925,36 5.768,37 3.875,38 4.661,39 4.864,40 3.912,41 3.934,42 5.673,43 3.893,44 4.725,45 4.935,46 3.941,47 3.98,48 5.786,49 3.918,50 4.797,51 5.017,52 3.841,53 4.013,54 5.752,55 3.921,56 0.086,57 0.749,58 9.614,59 4.073,60 9.634,61 5.153,62 0.433,63 1.158,64 18.836,65 6.489,66 28.976,67 8.364,68 0.463,69 1.358,70 23.639,71 7.598,72 35.724,73 10.483,74 0.427,75 1.367,76 24.737,77 7.634,78 38.182,79 11.119,80 0.514,81 1.325,82 23.407,83 7.358,84 44.301,85 10.854,86 0.314,87 1.314,88 21.763,89 7.203,90 25.018,91 10.209,92 0.544,93 1.349,94 23.757,95 8.238,96 38.307,97 11.641,98 0.353,99 1.349,100 26.426,101 9.898,102 34.676,103 13.565,104 6,105 42,106 0.276,107 0.635,108 0.794,109 0.862,110 0.862,111 0.862,112 3.375,113 0.87,114 -3.77,115 -3.73,116 -3.55,119 40.8,124 1,125 4,142 7,143 1,144 2,145 1,146 1,147 2,150 1,172 5,174 4,175 5,178 1,180 4,183 5,186 1,187 4,190 1,192 3,195 4,199 5,202 2,204 2,207 2,211 3,212 7,215 2,217 3,220 2,224 4,229 1,232 1,236 3,237 8,240 3,241 1,242 1,245 3,250 4,258 3,262 2,263 4,268 1,271 2,275 1280,276 19.334,277 19.334,278 19.334,279 19.334,280 19.334,281 17.225,282 26.412,283 11.606,284 20.057,285 15.303,286 15.303,287 15.303,288 15.303,289 15.303,290 12.073,291 40.676,292 5.523,293 16.403,294 3.98,295 1.846,296 0.906,297 0.505,298 0.505,299 0.505,300 4.076,303 1,304 1,305 1,306 632,307 2.449,311 366.926,318 1.536,319 25.645,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61.5,331 291,332 4.379,333 3.189,334 6.319,335 3.981,336 3.035,337 4.047,338 0.86,339 9.732,340 2.894,341 4.067,342 2.916,343 6.033,344 3.679,345 2.729,346 3.657,347 0.86,348 8.707,349 2.577,350 3.996,351 2.871,352 5.592,353 3.611,354 2.674,355 3.542,356 0.8,357 7.693,358 2.499,359 3.661,360 2.681,361 5.308,362 3.323,363 2.395,364 2.913,365 0.4,366 6.834,367 2.225,368 3.532,369 2.448,370 5.066,371 3.141,372 2.203,373 2.852,375 6.148,376 2.052,377 3.302,378 2.273,379 4.898,380 2.898,381 1.96,382 2.562,384 5.632,385 1.831,386 2.919,387 2.064,388 4.41,389 2.62,390 1.719,391 2.013,393 4.361,394 1.541,395 2.789,396 1.519,397 4.134,398 2.323,399 1.362,400 1.887,402 3.562,403 1.305,404 2.549,405 1.338,406 3.493,407 2.066,408 1.119,409 1.572,411 2.617,412 1.057,413 2.5,414 1.256,415 3.469,416 1.959,417 1,418 1.5,420 2.476,421 0.957,422 2.198,423 1.12,424 3.414,425 1.952,426 1,427 1.171,428 2.275,429 0.946,430 2,431 1.042,432 3.247,433 1.913,434 1,435 1,436 2.136,437 0.905,438 1.748,439 1,440 3.039,441 1.446,442 0.589,443 0.659,445 1.012,446 0.501,447 1.241,448 0.266,449 2.667,450 0.907,456 0.981,457 -0.057,458 2.635,459 0.563,460 -0.384,461 -0.493,463 -0.869,464 -0.357,465 13,466 0.464,467 0.55,468 0.02,469 39.5,470 1.411,471 20,472 0.714,473 19.5,474 0.696,475 19.941,476 0.712,477 30.2,478 0.616,479 29.483,480 1.053,481 8.009,482 0.286,483 5.699,484 0.204,485 0.064,487 0.3,493 0.968,494 1.488,495 0.757,496 1.174,497 0.939,498 0.963,499 1.173,500 1.003,501 0.914,502 0.894,503 0.779,504 0.866,505 1.113,506 1.158,507 1.035,508 0.987,509 1.027,510 0.988,511 0.898,512 1.076,513 0.998,514 0.959,515 0.953,516 0.972,517 0.657,518 1.003,519 0.888,520 0.881,521 0.736,522 0.904,523 0.929,524 1.237,525 1.002,526 1.06,527 0.872,528 1.028,529 0.61,530 0.927,531 0.967,532 1.015,533 0.588,534 1.044,535 0.851,536 1.058,537 1.013,538 1.166,539 0.888,540 1.133,541 5.5,542 0.132,543 2.222,544 1.25,545 1.249,546 0.854,547 0.631,548 0.326,549 0.217,550 0.232,551 9647,552 27200,553 2.137,554 42.9,556 18,558 1,559 2,564 1.717,565 2.049,566 3.325,567 0.282,569 1,573 80.079,574 1.634,575 3.769,576 4.708,577 5.11,578 5.11,579 5.11,580 2.751,581 4.182,582 4.775,583 3.497,584 1321.77,585 8.34,586 17481,588 1,590 1,591 275.121,592 1.198,593 4.76,594 0.177,595 0.007,596 0.053,597 0.03,598 0.033,599 0.021,600 0.016,601 0.008,602 0.006,603 0.008,604 0.359,605 0.33,606 1,607 0.615,608 139.617,609 -0.095,610 -0.299,611 0.055,612 -0.121,613 -0.109,614 -0.023,615 -0.053,616 0.107,617 0.008,618 0.081,619 0.045,620 0.049,621 -0.139,622 -0.085,623 -0.097,624 -0.025,625 -0.103,626 -0.051,627 -0.097,628 -0.016,629 -0.048,630 -0.015,631 -0.108,632 -0.016,633 0.117,634 0.076,635 0.051,636 0.069,637 0.091,638 0.052,639 -0.144,640 -0.14,641 -0.093,642 -0.089,643 -0.107,644 -0.075,645 0.186,646 0.144,647 -0.044,648 -0.036,649 0.163,650 -0.077,651 -0.056,652 -0.1,653 -0.07,654 -0.13,655 -0.062,656 -0.105,657 1.474,658 3.84,659 0.857,660 26.531,661 1.011,662 1.131,663 2.538,664 6.442,665 0.663,666 3.466,667 3.761,668 4.007,669 4.263,670 4.533,671 4.575,672 4.762,673 4.883,674 5.03,675 5.106,676 6.296,677 0.642,678 379.46,679 3.466,680 4.99,681 5.826,682 6.688,683 7.541,684 8.409,685 9.27,686 10.142,687 11.008,688 11.883,689 10.2,695 1,697 1,699 3,704 8,705 3,709 7,711 18,724 1,726 1,728 1,729 1,731 49,733 18,734 1,735 31,737 52,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 21,782 8,783 2,784 8,790 5,794 1,795 3,805 1,806 1,812 4,839 1,840 4,844 1,848 28,853 1,854 4,855 1,856 2,859 1,870 6.1,872 1,874 1,875 1,877 13.667,878 9,879 6.222,880 2.762,881 2.964,882 1.399,883 0.968,884 5.671,885 10.397,886 3.714,887 4.284,888 4.83,889 5.398,890 5.975,891 6.178,892 6.613,893 7.005,894 7.421,895 7.741,896 0.857,897 42,898 10.295,900 4.301,901 7.72,902 19.601,904 15.67,905 2.22,906 62.167,908 1,909 1,910 223.651,911 117.401,912 71.492,914 64.683,917 117.401,918 288.334,919 71.492,920 10.883,921 13.396,922 66.334,923 115.811,924 49.881,925 9.042,926 211.88,928 223.651,929 188.893,930 64.683,933 223.651,934 53.683,935 11,937 45.11,938 93.426,939 50.357,941 223.651,942 136.175,943 117.401,946 223.651,947 31.137,948 89.389,949 18.011,950 115.04,951 223.651,952 136.175,953 117.401,955 0.571,956 0.328,957 0.177,958 0.102,959 20,960 8,961 0.096,962 5,964 1,965 4.01,966 244.049,968 24,969 130.606,974 18.627,975 8.524,976 4.589,978 136.175,979 14.205,980 13.589,984 4.314,986 60.694,987 477.227,988 40,999 49.56,1000 55.441,1001 0.291,1002 0.671,1003 0.839,1004 0.91,1005 0.91,1006 0.91,1007 4.931,1008 1.362,1009 5.784,1010 4.361,1011 4.443,1012 4.97,1013 1.656,1014 6.541,1015 4.315,1016 6.109,1017 1.119,1018 7.302,1019 3.562,1020 3.892,1021 4.62,1022 0.325,1023 7.286,1024 3.702,1025 7.391,1026 1,1027 8.914,1028 2.617,1029 5.984,1030 7.1,1031 1.308,1032 10.362,1033 5.743,1034 8.705,1035 1,1036 10.581,1037 2.476,1038 6.236,1039 7.531,1040 0.268,1041 11.919,1042 5.933,1043 10.048,1044 1,1045 12.284,1046 2.275,1047 7.774,1048 9.485,1049 1.064,1050 14.486,1051 7.429,1052 11.412,1053 0.589,1054 14.011,1055 2.136,1056 8.42,1057 10.305,1058 0.188,1059 16.406,1060 8.016,1061 12.791,1063 15.756,1064 1.012,1065 9.705,1066 12.005,1067 0.862,1068 18.779,1069 9.261,1070 3.035,1071 -0.384,1072 17.515,1074 10.559,1075 13.047,1076 0.125,1077 20.872,1078 10.06,1079 2.729,1080 9.732,1081 19.285,1082 -0.869,1083 11.727,1084 14.607,1085 0.69,1086 23.168,1087 11.187,1088 2.674,1089 8.707,1090 21.063,1091 4.047,1092 12.69,1093 15.781,1094 0.082,1095 25.345,1096 12.099,1097 2.395,1098 7.693,1099 22.849,1100 3.657,1101 13.805,1102 17.262,1103 0.544,1104 27.613,1105 13.173,1106 2.203,1107 6.834,1108 24.641,1109 3.542,1110 14.827,1111 18.517,1112 0.054,1113 29.831,1114 14.146,1115 1.96,1116 6.148,1117 26.438,1118 2.913,1119 15.921,1120 19.953,1121 0.424,1122 32.09,1123 15.198,1124 1.719,1125 5.632,1126 28.239,1127 2.852,1128 16.974,1129 21.259,1130 0.035,1131 34.33,1132 16.204,1133 9173,1134 15530,1135 21.266,1136 32.483,1137 45.734,1138 46.279,1139 46.391,1140 45.587,1141 45.57,1142 58.754,1143 5.84,1144 126.37,1145 42.581,1146 5.379,1147 5.189,1148 6.121,1149 5.085,1150 5.035,1151 7.047,1152 1.72,1153 16.246,1154 4.894,1155 10.103,1156 1.475,1157 1.493,1158 1.496,1159 1.471,1160 1.47,1161 1.895,1162 0.188,1163 4.076,1164 1.374,1165 4.013,1166 4.053,1167 3.974,1168 3.906,1169 6.471,1170 3.915,1171 3.866,1172 3.899,1173 3.817,1174 3.747,1175 5.036,1176 3.76,1177 3.792,1178 3.84,1179 3.716,1180 3.604,1181 4.935,1182 3.627,1183 3.617,1184 3.663,1185 3.528,1186 3.438,1187 4.613,1188 3.452,1189 3.265,1190 3.327,1191 3.123,1192 2.986,1193 4.568,1194 3.006,1195 3.111,1196 3.206,1197 2.892,1198 2.941,1199 4.412,1200 2.91,1201 2.984,1202 3.059,1203 2.866,1204 2.796,1205 4.03,1206 2.806,1207 2.963,1208 3.008,1209 2.844,1210 2.745,1211 3.869,1212 2.745,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.379,1219 0.131,1220 3.189,1221 0.028,1222 6.319,1223 0.314,1224 3.981,1225 0.093,1226 3.035,1227 4.047,1228 0.86,1229 9.732,1230 2.894,1231 1.942,1232 1.916,1233 2.027,1234 2.076,1235 1.202,1236 2.058,1237 1.82,1238 1.786,1239 1.926,1240 1.964,1241 1.102,1242 1.953,1243 1.726,1244 1.674,1245 1.907,1246 1.941,1247 0.953,1248 1.936,1249 1.553,1250 1.509,1251 1.682,1252 1.751,1253 0.825,1254 1.733,1255 1.2,1256 1.13,1257 1.564,1258 1.514,1259 0.716,1260 1.528,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.572,1266 1.429,1267 0.929,1268 0.871,1269 1.152,1270 1.188,1271 0.267,1272 1.171,1273 0.883,1274 0.837,1275 1.131,1276 1.157,1277 0.212,1278 1.136,1279 4.143,1281 5.442,1283 6.942,1285 8.527,1287 10.154,1289 1.579,1294 9.84,1295 2.746,1296 3.27,1297 10.533,1300 2.091,1305 31.466,1306 80.079,1307 184.661,1308 230.714,1309 250.366,1310 250.366,1311 250.366,1312 37.596,1313 7.434,1314 92.63,1315 92.63,1316 24,1317 12.425,1318 4.248,1319 3.322,1320 42.118,1321 104,1322 126,1323 0.195,1324 192.657,1325 330.03,1326 461.844,1327 15725,1329 19.347,1330 0.691,1331 0.554,1332 19.347,1333 15.5,1334 13.708,1335 0.442,1336 0.29,1337 8.806,1338 12.989,1339 8.636,1340 7.133,1341 13.708,1342 8.994,1343 12.054,1344 0.287,1345 0.15,1346 12.054,1347 6.302,1348 10.048,1349 0.186,1350 0.081,1351 10.048,1352 4.368,1353 8.358,1354 0.119,1355 0.042,1356 8.358,1357 2.939,1358 7.028,1359 0.076,1360 0.022,1361 7.028,1362 1.982,1363 0.302,1364 87.194,1365 0.217,1366 26.567,1367 0.551,1368 146,1369 462.534,1370 164.49,1371 438.772,1372 602.95,1373 414,1374 169,1375 444.381,1376 187.272,1377 448.034,1378 652.89,1379 420,1380 7.77}
{0 CHEMBL1290789,1 1.686,2 12.29,3 2.728,4 7.442,5 119.512,6 8.907,7 0.8,8 4.006,9 4.097,10 3.868,11 3.663,12 5.171,13 3.636,14 4.487,15 4.602,16 4.156,17 4.047,18 5.85,19 4.01,20 4.705,21 4.86,22 4.205,23 4.159,24 5.903,25 4.087,26 4.759,27 4.937,28 4.154,29 4.099,30 5.998,31 4.035,32 4.734,33 4.925,34 4.081,35 4.022,36 6.015,37 3.975,38 4.587,39 4.768,40 3.994,41 3.98,42 5.766,43 3.918,44 4.581,45 4.775,46 3.921,47 3.931,48 5.734,49 3.855,50 4.511,51 4.71,52 3.824,53 3.825,54 5.731,55 3.749,56 0.102,57 0.739,58 9.16,59 4.174,60 15.342,61 4.214,62 0.335,63 1.163,64 13.574,65 6.587,66 48.904,67 7.061,68 0.234,69 1.41,70 20.888,71 9.439,72 33.493,73 10.323,74 0.355,75 1.479,76 26.75,77 10.081,78 52.046,79 10.621,80 0.552,81 1.43,82 23.641,83 8.898,84 78.47,85 9.593,86 0.282,87 1.268,88 18.489,89 7.812,90 34.991,91 8.918,92 0.286,93 1.25,94 20.951,95 8.175,96 37.4,97 9.411,98 0.375,99 1.131,100 18.028,101 7.371,102 53.14,103 8.655,104 5,105 50,106 0.277,107 0.522,108 0.711,109 0.851,110 0.876,111 0.883,112 3.472,113 0.942,114 -2.99,115 -3,116 -2.89,119 47.9,142 9,143 5,144 2,145 5,151 1,161 1,172 12,174 1,175 5,178 3,180 3,183 11,187 11,190 1,192 5,195 8,199 10,204 5,207 5,211 3,212 7,215 1,217 4,220 6,223 1,224 7,227 1,229 2,232 7,237 6,240 1,242 1,245 7,249 2,250 5,254 1,255 1,258 6,262 1,263 5,268 1,271 5,275 1595,276 21.247,277 21.247,278 21.247,279 21.247,280 21.247,281 17.755,282 6.038,283 12.591,284 21.651,285 17.336,286 17.336,287 17.336,288 17.336,289 17.336,290 12.127,291 3.814,292 6.01,293 17.997,294 3.899,295 2.406,296 1.258,297 0.406,298 0.25,299 0.208,300 4.183,304 1,305 1,306 848,307 3.317,310 71.362,311 376.895,314 124.305,318 1.894,319 31.906,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66.5,331 381,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.137,341 4.621,342 3.185,343 6.726,344 4.167,345 3.184,346 4.566,348 10.974,349 3.087,350 4.205,351 2.861,352 6.16,353 3.82,354 2.831,355 3.831,357 9.146,358 2.799,359 3.902,360 2.512,361 5.719,362 3.439,363 2.469,364 3.493,366 7.668,367 2.392,368 3.646,369 2.342,370 5.36,371 3.226,372 2.255,373 3.105,375 6.808,376 2.186,377 3.512,378 1.982,379 4.807,380 2.974,381 1.979,382 2.974,384 5.206,385 1.968,386 3.227,387 1.75,388 4.637,389 2.701,390 1.748,391 2.568,393 4.655,394 1.663,395 2.953,396 1.54,397 4.324,398 2.448,399 1.486,400 2.155,402 4.074,403 1.426,404 2.805,405 1.338,406 4.007,407 2.287,408 1.327,409 1.948,411 3.26,412 1.27,413 2.694,414 1.272,415 3.63,416 2.174,417 1.189,418 1.764,420 2.75,421 1.168,422 2.637,423 1.15,424 3.502,425 2.083,426 1.141,427 1.699,428 2.61,429 1.072,430 2.5,431 1,432 3.476,433 2,434 1,435 1.5,436 2.476,437 1,438 2.5,439 1,440 3.247,441 1.968,442 1,443 1.5,445 2.136,446 0.965,447 2.5,448 1,449 3.247,450 1.953,451 1,452 1.5,454 2.136,455 0.95,456 2.015,457 0.532,458 3.206,459 1.474,460 0.532,461 0.784,463 1.343,464 0.5,465 15,466 0.484,467 0.745,468 0.024,469 49.75,470 1.605,471 29.5,472 0.952,473 20.25,474 0.653,475 19.319,476 0.623,477 30.6,478 0.638,479 38.068,480 1.228,481 9.757,482 0.315,483 5.342,484 0.172,485 0.044,486 0.056,487 0.267,493 0.583,494 1.187,495 0.757,496 1.078,497 0.671,498 0.798,499 0.675,500 0.992,501 0.893,502 0.92,503 0.61,504 0.899,505 0.929,506 1.158,507 1.061,508 1.144,509 0.898,510 1.079,511 1.286,512 1.141,513 1.211,514 1.164,515 1.233,516 1.024,517 1.409,518 0.878,519 0.956,520 0.795,521 1.5,522 0.873,523 0.947,524 1.005,525 0.926,526 0.945,527 0.844,528 0.985,529 0.943,530 1.053,531 1.033,532 1.052,533 0.836,534 1.027,535 1.003,536 0.929,537 0.869,538 0.857,539 1.085,540 0.98,541 6,542 0.202,543 3.778,544 2.132,545 1.441,546 1.004,547 0.638,548 0.432,549 0.218,550 0.209,551 13934,552 40489,553 2.172,554 35.4,556 9,557 1,558 5,559 2,564 1.736,565 2.078,566 3.594,567 0.225,569 1,573 80.94,574 1.686,575 3.179,576 4.327,577 5.179,578 5.335,579 5.377,580 3.05,581 4.503,582 4.927,583 3.733,584 1736.04,585 8.604,586 24597.5,588 1,591 268.078,592 1.327,593 4.9,594 0.171,595 0.007,596 0.076,597 0.043,598 0.031,599 0.022,600 0.015,601 0.011,602 0.006,603 0.007,604 0.39,605 0.33,606 0.88,607 0.415,608 161.161,609 0.067,610 -0.12,611 0.191,612 -0.073,613 -0.163,614 0.036,615 0.21,616 0.056,617 -0.06,618 -0.008,619 0.212,620 -0.069,621 -0.056,622 -0.173,623 -0.071,624 -0.136,625 -0.024,626 -0.134,627 -0.161,628 -0.144,629 -0.103,630 -0.114,631 -0.047,632 -0.049,633 -0.097,634 0.124,635 -0.028,636 0.123,637 -0.109,638 0.067,639 -0.062,640 -0.002,641 -0.046,642 -0.028,643 -0.045,644 -0.044,645 -0.062,646 -0.066,647 -0.048,648 -0.073,649 -0.02,650 -0.038,651 0.038,652 0.034,653 0.027,654 0.061,655 -0.025,656 0.002,657 4.615,658 5.63,659 0.871,660 30.466,661 1.011,662 1.111,663 1.765,664 3.114,665 0.732,666 3.584,667 3.932,668 4.22,669 4.5,670 4.727,671 4.804,672 4.99,673 5.124,674 5.226,675 5.361,676 7.131,677 0.706,678 427.52,679 3.584,680 5.142,681 6.004,682 6.897,683 7.775,684 8.673,685 9.559,686 10.459,687 11.348,688 12.25,689 10.4,694 1,697 1,699 3,703 2,704 15,705 3,706 1,709 6,711 28,731 48,733 30,734 1,735 35,737 52,738 23,739 23,740 1,741 5,746 5,747 6,761 23,766 2,769 1,771 2,778 1,781 17,782 6,783 2,784 8,785 1,790 5,794 0.8,795 2,805 3,807 1,811 1,812 4,815 1,840 4,842 1,848 31,852 1,855 1,870 4.2,873 2,877 14.917,878 8.6,879 6.653,880 2.647,881 5.124,882 1.623,883 1.067,884 4.89,885 13.347,886 3.951,887 4.632,888 5.244,889 5.878,890 6.448,891 6.786,892 7.319,893 7.784,894 8.175,895 8.642,896 1,897 50,898 11.646,900 5.3,901 7.831,902 21.601,904 18.147,905 2.331,906 72.25,909 1,910 176.567,911 166.716,912 83.547,914 44.313,916 5.807,917 160.909,918 220.879,919 83.547,922 100.141,923 171.645,924 81.645,925 11.771,926 105.94,928 176.567,929 244.456,930 44.313,931 5.807,933 176.567,934 44.313,937 63.738,938 113.956,939 72.569,941 176.567,942 127.86,943 166.716,945 5.807,946 176.567,947 21.338,948 139.571,949 33.191,950 94.67,951 176.567,952 127.86,953 166.716,955 0.585,956 0.342,957 0.189,958 0.102,959 26,960 10,961 0.096,962 5,963 1,964 1.074,965 4.278,966 290.815,967 0.074,968 27,969 147.58,973 1,974 19.286,975 7.86,976 3.88,977 1.706,978 111.075,979 26.179,980 12.917,981 3.18,984 4.118,986 33.191,987 471.143,988 51,991 -3.698,993 25.259,999 48.542,1000 53.322,1001 0.302,1002 0.569,1003 0.775,1004 0.927,1005 0.955,1006 0.963,1007 5.176,1008 1.486,1009 6.009,1010 4.655,1011 4.615,1012 5.321,1014 6.866,1015 4.542,1016 6.426,1017 1.327,1018 7.596,1019 4.074,1020 4.29,1021 5.27,1023 8.032,1024 4.16,1025 7.772,1026 1.189,1027 9.3,1028 3.26,1029 6.286,1030 7.67,1032 11.101,1033 6.127,1034 9.164,1035 1.141,1036 11.078,1037 2.75,1038 6.825,1039 8.485,1041 13.118,1042 6.591,1043 10.594,1044 1,1045 12.905,1046 2.61,1047 8.302,1048 10.352,1050 15.764,1051 8.037,1052 12.053,1053 1,1054 14.766,1055 2.476,1056 9.216,1057 11.557,1059 18.084,1060 8.871,1061 13.533,1062 1,1063 16.651,1064 2.136,1065 10.502,1066 13.218,1068 20.616,1069 10.116,1070 3.391,1071 0.532,1072 18.553,1073 2.136,1074 11.577,1075 14.601,1077 23.047,1078 11.113,1079 3.184,1080 12.507,1081 20.469,1082 1.343,1083 12.797,1084 16.181,1086 25.552,1087 12.28,1088 2.831,1089 10.974,1090 22.395,1091 4.704,1092 13.94,1093 17.646,1095 28.027,1096 13.349,1097 2.469,1098 9.146,1099 24.331,1100 4.566,1101 15.14,1102 19.194,1104 30.529,1105 14.488,1106 2.255,1107 7.668,1108 26.273,1109 3.831,1110 16.314,1111 20.696,1113 33.024,1114 15.589,1115 1.979,1116 6.808,1117 28.22,1118 3.493,1119 17.509,1120 22.234,1122 35.529,1123 16.719,1124 1.748,1125 5.206,1126 30.173,1127 3.105,1128 18.697,1129 23.754,1131 38.034,1132 17.835,1133 12837,1134 22067,1135 24.038,1136 35.154,1137 53.426,1138 53.691,1139 53.419,1140 53.075,1141 53.062,1142 76.18,1144 155.496,1145 51.166,1146 5.682,1147 6.685,1148 7.11,1149 5.368,1150 5.391,1151 7.704,1153 19.85,1154 5.137,1155 10.101,1156 1.526,1157 1.534,1158 1.526,1159 1.516,1160 1.516,1161 2.177,1163 4.443,1164 1.462,1165 4.155,1166 4.185,1167 4.736,1168 4.088,1169 7.717,1170 4.07,1171 4.063,1172 4.049,1173 4.111,1174 4.023,1175 6.999,1176 3.964,1177 3.855,1178 3.891,1179 3.81,1180 3.77,1181 5.087,1182 3.774,1183 3.76,1184 3.808,1185 3.701,1186 3.638,1187 4.886,1188 3.646,1189 3.587,1190 3.575,1191 3.665,1192 3.509,1193 4.835,1194 3.438,1195 3.312,1196 3.362,1197 3.246,1198 3.181,1199 4.713,1200 3.183,1201 2.919,1202 2.983,1203 2.839,1204 2.765,1205 4.303,1206 2.771,1207 2.854,1208 2.925,1209 2.706,1210 2.735,1211 3.946,1212 2.715,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.855,1219 0.134,1220 4.685,1222 7.308,1223 0.357,1224 4.31,1225 0.09,1226 3.391,1227 4.704,1229 12.507,1230 3.137,1231 1.99,1232 1.984,1233 2.038,1234 2.08,1235 1.187,1236 2.092,1237 1.942,1238 1.932,1239 1.995,1240 2.013,1241 1.147,1242 2.033,1243 1.839,1244 1.806,1245 1.94,1246 1.956,1247 1.002,1248 1.955,1249 1.688,1250 1.649,1251 1.773,1252 1.856,1253 0.832,1254 1.841,1255 1.411,1256 1.435,1257 1.56,1258 1.62,1259 0.572,1260 1.624,1261 1.394,1262 1.338,1263 1.242,1264 1.546,1265 0.558,1266 1.576,1267 1.028,1268 0.991,1269 1.181,1270 1.161,1271 0.301,1272 1.174,1273 0.886,1274 0.821,1275 1.148,1276 1.062,1277 0.218,1278 1.107,1279 4.263,1281 5.602,1282 2.398,1283 7.143,1284 4.727,1285 8.768,1286 6.843,1287 10.435,1296 2.589,1305 33.884,1306 80.94,1307 152.581,1308 207.675,1309 248.568,1310 256.078,1311 258.078,1312 50.417,1313 8.224,1314 100.63,1315 109.01,1316 29,1317 12.773,1318 4.954,1319 4.087,1320 43.681,1321 133,1322 128,1323 0.159,1324 209.466,1325 346.93,1326 502.857,1327 47736,1329 21.261,1330 0.686,1331 0.55,1332 21.511,1333 17.043,1334 15.099,1335 0.431,1336 0.314,1337 9.527,1338 13.887,1339 9.216,1340 7.649,1341 15.92,1342 10.992,1343 13.957,1344 0.279,1345 0.173,1346 15.257,1347 8.627,1348 11.78,1349 0.176,1350 0.094,1351 12.884,1352 6.278,1353 10.122,1354 0.114,1355 0.05,1356 11.163,1357 4.445,1358 8.18,1359 0.073,1360 0.027,1361 9.034,1362 2.972,1363 0.25,1364 102.096,1365 0.204,1366 29.141,1367 0.431,1368 170,1369 499.933,1370 219.181,1371 516.043,1372 712.08,1373 478,1374 202,1375 506.765,1376 260.251,1377 555.991,1378 808.05,1379 521,1380 7.921}
{0 CHEMBL1290790,1 1.687,2 13.743,3 3.846,4 14.79,5 134.595,6 8.537,7 0.718,8 4.169,9 4.255,10 3.975,11 3.772,12 5.324,13 3.752,14 4.668,15 4.79,16 4.268,17 4.147,18 5.976,19 4.121,20 4.84,21 4.974,22 4.361,23 4.286,24 6.05,25 4.232,26 4.949,27 5.11,28 4.323,29 4.285,30 6.167,31 4.227,32 5,33 5.192,34 4.229,35 4.244,36 6.194,37 4.183,38 4.866,39 5.058,40 4.177,41 4.194,42 5.971,43 4.124,44 4.863,45 5.066,46 4.149,47 4.146,48 5.973,49 4.076,50 4.789,51 4.978,52 4.059,53 4.076,54 5.966,55 4.003,56 0.123,57 0.835,58 11.74,59 5.31,60 17.132,61 5.596,62 0.499,63 1.307,64 19.925,65 8.638,66 60.191,67 9.279,68 0.397,69 1.557,70 24.578,71 11.009,72 38.687,73 12.06,74 0.452,75 1.712,76 31.41,77 12.157,78 57.359,79 13.264,80 0.749,81 1.741,82 32.691,83 12.093,84 91.182,85 13.802,86 0.4,87 1.577,88 26.83,89 11.068,90 43.023,91 13.53,92 0.524,93 1.566,94 29.803,95 11.04,96 52.984,97 13.433,98 0.521,99 1.446,100 24.159,101 9.74,102 59.973,103 11.77,104 21,105 56,106 0.269,107 0.576,108 0.729,109 0.835,110 0.854,111 0.859,112 3.589,113 0.938,114 -3.41,115 -3.39,116 -3.24,119 45.6,124 2,142 10,143 5,144 4,145 3,151 1,161 1,172 13,174 1,175 5,178 3,180 3,183 13,186 1,187 13,190 1,192 5,195 10,199 12,204 6,207 6,211 3,212 9,217 4,220 7,224 8,227 2,229 2,232 8,236 1,237 7,240 2,242 1,245 8,249 3,250 7,254 1,255 1,258 6,263 7,268 2,271 5,275 2264,276 23.936,277 23.936,278 23.936,279 23.936,280 23.936,281 20.471,282 13.27,283 13.888,284 24.618,285 19.145,286 19.145,287 19.145,288 19.145,289 19.145,290 13.772,291 11.754,292 6.406,293 20.072,294 4.146,295 2.224,296 1.267,297 0.601,298 0.483,299 0.448,300 4.294,305 1,306 1050,307 3.742,310 82.682,311 438.3,314 145.53,318 2.15,319 37.623,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 76,331 481,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 0.86,339 12.507,340 3.149,341 4.629,342 3.253,343 6.733,344 4.18,345 3.197,346 4.57,347 0.86,348 11.005,349 3.088,350 4.27,351 3.112,352 6.196,353 3.867,354 2.895,355 3.926,357 9.254,358 2.825,359 4.155,360 2.848,361 6.119,362 3.732,363 2.77,364 3.786,366 8.963,367 2.646,368 3.731,369 2.467,370 5.668,371 3.321,372 2.356,373 3.176,375 7.469,376 2.267,377 3.603,378 2.297,379 5.359,380 3.178,381 2.213,382 3.055,384 6.801,385 2.131,386 3.503,387 2.171,388 4.807,389 2.971,390 1.977,391 2.93,393 5.206,394 1.963,395 3.002,396 1.981,397 4.612,398 2.523,399 1.613,400 2.242,402 4.517,403 1.462,404 2.946,405 1.555,406 4.372,407 2.471,408 1.515,409 2.144,411 4.133,412 1.443,413 2.919,414 1.539,415 4.304,416 2.446,417 1.484,418 2.057,420 3.98,421 1.425,422 2.698,423 1.288,424 3.954,425 2.181,426 1.206,427 1.776,428 2.984,429 1.174,430 2.66,431 1.197,432 3.63,433 2.117,434 1.158,435 1.727,436 2.742,437 1.106,438 2.537,439 1.096,440 3.479,441 2.006,442 1.048,443 1.555,445 2.519,446 1.001,447 2.5,448 1,449 3.247,450 2,451 1,452 1.5,454 2.136,455 1,456 2.072,457 0.976,458 3.244,459 1.618,460 0.711,461 0.914,463 1.514,464 0.639,465 16.767,466 0.479,467 0.864,468 0.025,469 53.25,470 1.521,471 30.5,472 0.871,473 22.75,474 0.65,475 24.947,476 0.713,477 36.033,478 0.632,479 44.32,480 1.266,481 10.661,482 0.305,483 6.319,484 0.181,485 0.099,486 0.05,487 0.298,493 0.694,494 1.229,495 0.765,496 1.141,497 0.698,498 0.864,499 0.995,500 0.894,501 0.867,502 0.81,503 0.683,504 0.779,505 0.898,506 1.17,507 1.021,508 1.12,509 0.9,510 1.04,511 1.165,512 1.203,513 1.19,514 1.198,515 1.194,516 1.085,517 1.287,518 0.905,519 0.985,520 0.825,521 1.376,522 0.927,523 0.767,524 1.068,525 0.858,526 0.982,527 0.741,528 1.006,529 0.85,530 0.976,531 0.912,532 0.939,533 0.76,534 0.92,535 0.901,536 1.021,537 0.899,538 0.932,539 0.982,540 1.05,541 7.5,542 0.272,543 4.667,544 2.507,545 1.983,546 1.326,547 0.84,548 0.592,549 0.384,550 0.31,551 18850,552 55823,553 2.116,554 38.6,556 16,557 1,558 3,559 2,564 1.767,565 1.991,566 3.744,567 0.191,573 96.156,574 1.687,575 3.609,576 4.566,577 5.232,578 5.35,579 5.385,580 3.223,581 4.786,582 5.1,583 3.894,584 2316.79,585 8.953,586 36142.9,591 332.475,592 1.482,593 5.06,594 0.192,595 0.008,596 0.083,597 0.042,598 0.035,599 0.026,600 0.017,601 0.012,602 0.009,603 0.008,604 0.433,605 0.33,606 0.75,607 0.74,608 189.744,609 0.031,610 -0.132,611 0.184,612 -0.09,613 -0.159,614 0.02,615 0.046,616 0.157,617 0.024,618 0.153,619 0.183,620 0.105,621 0.002,622 -0.142,623 -0.061,624 -0.104,625 -0.005,626 -0.111,627 -0.155,628 -0.182,629 -0.154,630 -0.171,631 -0.062,632 -0.136,633 -0.149,634 0.082,635 -0.068,636 0.091,637 -0.118,638 0.025,639 0.014,640 -0.076,641 0.022,642 -0.049,643 -0.002,644 -0.027,645 0.031,646 0.021,647 0.057,648 0.027,649 0.024,650 0.073,651 0.022,652 -0.019,653 -0.045,654 -0.036,655 -0.024,656 -0.098,657 4.643,658 5.714,659 0.771,660 39.927,661 1.013,662 1.114,663 2.175,664 4.732,665 0.708,666 3.689,667 4.043,668 4.344,669 4.615,670 4.844,671 4.956,672 5.147,673 5.293,674 5.421,675 5.561,676 7.896,677 0.682,678 486.59,679 3.689,680 5.252,681 6.12,682 7.017,683 7.9,684 8.8,685 9.69,686 10.592,687 11.485,688 12.389,689 7,694 1,697 1,699 2,703 2,704 14,705 2,706 1,709 8,711 28,729 2,731 57,733 30,734 2,735 39,737 61,738 26,739 24,740 4,741 8,746 5,747 6,761 24,762 2,766 2,769 1,771 2,781 22,782 7,783 2,784 9,785 1,790 4,794 0.8,795 4,805 2,807 1,811 1,812 4,815 1,840 4,842 1,844 2,848 35,852 1,855 1,856 2,870 7,873 2,875 2,877 17.583,878 10.9,879 7.681,880 3.049,881 5.229,882 1.609,883 1.031,884 6.265,885 13.811,886 4.025,887 4.707,888 5.327,889 5.953,890 6.526,891 6.897,892 7.426,893 7.9,894 8.319,895 8.794,896 1,897 59,898 13.127,900 5.872,901 7.831,902 24.349,904 20.11,905 2.331,906 81.583,910 235.422,911 190.351,912 66.762,914 66.313,916 5.807,917 184.543,918 301.735,919 66.762,920 21.766,922 109.617,923 131.318,924 96.037,925 11.771,926 188.338,928 235.422,929 251.305,930 66.313,931 5.807,933 235.422,934 66.313,937 45.643,938 155.686,939 55.783,941 235.422,942 133.074,943 190.351,945 5.807,946 235.422,947 31.825,948 152.718,949 33.191,950 99.884,951 235.422,952 133.074,953 190.351,955 0.584,956 0.353,957 0.192,958 0.101,959 28,960 12,961 0.115,962 7,963 1,964 1.074,965 4.516,966 342.24,967 0.074,968 27,969 171.525,973 1,974 23.06,975 9.509,976 4.642,977 1.636,978 116.289,979 24.425,980 8.79,981 3.202,984 5.238,986 33.191,987 558.847,988 55,991 -3.726,993 25.429,999 57.745,1000 63.488,1001 0.289,1002 0.619,1003 0.783,1004 0.897,1005 0.917,1006 0.923,1007 5.263,1008 1.613,1009 6.133,1010 5.206,1011 4.727,1012 5.396,1013 1.376,1014 7,1015 4.641,1016 6.515,1017 1.515,1018 7.731,1019 4.517,1020 4.443,1021 5.4,1023 8.164,1024 4.299,1025 7.868,1026 1.484,1027 9.44,1028 4.133,1029 6.412,1030 7.751,1031 1.159,1032 11.223,1033 6.237,1034 9.265,1035 1.206,1036 11.217,1037 3.98,1038 6.967,1039 8.593,1041 13.213,1042 6.717,1043 10.698,1044 1.158,1045 13.039,1046 2.984,1047 8.424,1048 10.431,1049 0.963,1050 15.85,1051 8.145,1052 12.156,1053 1.048,1054 14.892,1055 2.742,1056 9.339,1057 11.644,1059 18.149,1060 8.98,1061 13.634,1062 1,1063 16.767,1064 2.519,1065 10.612,1066 13.288,1067 0.787,1068 20.672,1069 10.216,1070 3.391,1071 0.711,1072 18.66,1073 2.136,1074 11.682,1075 14.671,1077 23.09,1078 11.21,1079 3.197,1080 12.507,1081 20.566,1082 1.514,1083 12.892,1084 16.24,1085 0.634,1086 25.588,1087 12.372,1088 2.895,1089 11.005,1090 22.483,1091 4.704,1092 14.029,1093 17.701,1095 28.055,1096 13.436,1097 2.77,1098 9.254,1099 24.409,1100 4.57,1101 15.221,1102 19.242,1103 0.504,1104 30.552,1105 14.572,1106 2.356,1107 8.963,1108 26.342,1109 3.926,1110 16.388,1111 20.74,1113 33.042,1114 15.669,1115 2.213,1116 7.469,1117 28.282,1118 3.786,1119 17.578,1120 22.273,1121 0.395,1122 35.545,1123 16.796,1124 1.977,1125 6.801,1126 30.227,1127 3.176,1128 18.76,1129 23.788,1131 38.046,1132 17.91,1133 17694,1134 30646,1135 26.235,1136 40.341,1137 58.808,1138 60.082,1139 60.614,1140 58.661,1141 58.761,1142 82.238,1143 3.44,1144 174.515,1145 56.147,1146 5.682,1147 6.685,1148 7.11,1149 5.368,1150 5.391,1151 7.704,1152 1.72,1153 19.85,1154 5.149,1155 16.204,1156 1.508,1157 1.541,1158 1.554,1159 1.504,1160 1.507,1161 2.109,1162 0.088,1163 4.475,1164 1.44,1165 4.16,1166 4.188,1167 4.736,1168 4.092,1169 7.717,1170 4.079,1171 4.064,1172 4.05,1173 4.116,1174 4.029,1175 6.999,1176 3.965,1177 3.883,1178 3.904,1179 3.842,1180 3.803,1181 5.086,1182 3.807,1183 3.798,1184 3.832,1185 3.749,1186 3.682,1187 4.909,1188 3.693,1189 3.589,1190 3.576,1191 3.667,1192 3.513,1193 4.855,1194 3.44,1195 3.337,1196 3.381,1197 3.27,1198 3.197,1199 4.713,1200 3.201,1201 3.247,1202 3.314,1203 3.059,1204 2.966,1205 4.496,1206 2.977,1207 3.213,1208 3.283,1209 3.048,1210 2.944,1211 4.372,1212 2.954,1213 0.124,1214 0.12,1215 0.187,1216 0.111,1217 0.087,1218 4.855,1219 0.121,1220 4.685,1221 0.022,1222 7.308,1223 0.321,1224 4.31,1225 0.081,1226 3.391,1227 4.704,1228 0.86,1229 12.507,1230 3.149,1231 1.993,1232 1.986,1233 2.044,1234 2.081,1235 1.2,1236 2.092,1237 1.949,1238 1.945,1239 1.996,1240 2.019,1241 1.158,1242 2.037,1243 1.871,1244 1.85,1245 1.959,1246 1.978,1247 1.059,1248 1.974,1249 1.695,1250 1.661,1251 1.776,1252 1.857,1253 0.856,1254 1.843,1255 1.43,1256 1.436,1257 1.609,1258 1.657,1259 0.623,1260 1.648,1261 1.404,1262 1.379,1263 1.576,1264 1.557,1265 0.574,1266 1.595,1267 1.192,1268 1.116,1269 1.507,1270 1.523,1271 0.56,1272 1.539,1273 1.169,1274 1.093,1275 1.234,1276 1.449,1277 0.534,1278 1.475,1279 4.369,1281 5.714,1282 2.398,1283 7.261,1284 4.727,1285 8.893,1286 6.843,1287 10.568,1289 3.198,1296 2.595,1297 10.796,1305 38.873,1306 96.156,1307 205.688,1308 260.236,1309 298.21,1310 304.965,1311 306.965,1312 62.681,1313 8.581,1314 106.2,1315 114.58,1316 29,1317 12.91,1318 4.954,1319 4.087,1320 52.279,1321 166,1322 163,1323 0.152,1324 239.441,1325 405.41,1326 575.997,1327 73816,1329 24.416,1330 0.698,1331 0.567,1332 24.666,1333 19.835,1334 16.98,1335 0.435,1336 0.313,1337 10.663,1338 15.537,1339 10.25,1340 8.546,1341 17.801,1342 12.194,1343 15.468,1344 0.276,1345 0.169,1346 16.769,1347 9.456,1348 13.359,1349 0.176,1350 0.092,1351 14.464,1352 7,1353 11.349,1354 0.113,1355 0.049,1356 12.39,1357 4.926,1358 9.067,1359 0.072,1360 0.026,1361 9.92,1362 3.304,1363 0.242,1364 115.11,1365 0.195,1366 32.241,1367 0.411,1368 190,1369 591.759,1370 243.55,1371 591.39,1372 812.04,1373 550,1374 227,1375 574.744,1376 289.842,1377 624.539,1378 908.66,1379 582,1380 7.62}
{0 CHEMBL1312643,1 1.718,2 9.536,3 2.876,4 8.273,5 104.301,6 8.261,7 0.581,8 3.988,9 4.082,10 3.791,11 3.582,12 5.056,13 3.544,14 4.539,15 4.684,16 4.064,17 3.94,18 5.787,19 3.896,20 4.775,21 4.968,22 4.116,23 4.056,24 5.907,25 3.981,26 4.74,27 4.935,28 4.061,29 4.007,30 5.955,31 3.928,32 4.736,33 4.941,34 4.065,35 3.98,36 5.892,37 3.926,38 4.685,39 4.864,40 4.096,41 4.011,42 5.854,43 3.943,44 4.764,45 4.955,46 4.114,47 4.073,48 5.898,49 3.974,50 4.849,51 5.048,52 4,53 4.031,54 6.018,55 3.943,56 0.082,57 0.739,58 10.869,59 4.827,60 15.901,61 5.32,62 0.383,63 1.203,64 20.213,65 7.779,66 53.375,67 8.771,68 0.538,69 1.459,70 28.731,71 9.706,72 57.275,73 11.437,74 0.445,75 1.399,76 27.815,77 9.808,78 64.426,79 11.714,80 0.505,81 1.385,82 27.244,83 8.725,84 61.916,85 10.876,86 0.491,87 1.364,88 23.001,89 8.298,90 51.662,91 10.269,92 0.438,93 1.458,94 30.379,95 10.626,96 55.576,97 12.409,98 0.63,99 1.434,100 35.675,101 11.457,102 88.735,103 12.811,104 5,105 43,106 0.288,107 0.568,108 0.719,109 0.805,110 0.826,111 0.826,112 3.375,113 1.032,114 -3.96,115 -3.92,116 -3.71,119 41.7,125 5,142 9,144 1,145 1,146 2,147 1,149 1,172 6,174 3,175 5,183 5,186 3,187 7,195 2,198 3,199 8,211 2,212 9,220 3,223 4,224 3,232 3,236 3,237 8,245 2,249 1,250 9,258 2,262 2,263 7,271 4,275 1254,276 19.093,277 19.093,278 19.093,279 19.093,280 19.093,281 16.719,282 16.557,283 11.569,284 19.802,285 15.381,286 15.381,287 15.381,288 15.381,289 15.381,290 11.798,291 22.371,292 5.567,293 16.557,294 3.867,295 2.203,296 1.303,297 0.792,298 0.667,299 0.667,300 4.073,304 1,305 1,306 581,307 3.162,311 372.532,318 1.355,319 36.179,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 267,332 4.855,333 5.262,334 7.308,335 4.257,336 3.393,337 4.705,338 3.272,339 12.509,340 2.914,341 4.348,342 3.204,343 6.307,344 3.938,345 3.003,346 4.009,347 0.86,348 9.679,349 2.792,350 3.945,351 2.969,352 6.016,353 3.623,354 2.684,355 3.423,356 0.8,357 8.629,358 2.519,359 3.615,360 2.781,361 5.357,362 3.245,363 2.292,364 3.063,366 6.823,367 2.177,368 3.492,369 2.348,370 4.825,371 2.973,372 2,373 2.784,375 5.254,376 1.937,377 3.184,378 2.156,379 4.459,380 2.708,381 1.755,382 2.467,384 4.501,385 1.678,386 2.899,387 1.791,388 4.283,389 2.618,390 1.697,391 1.957,393 4.065,394 1.548,395 2.693,396 1.644,397 3.631,398 2.169,399 1.198,400 1.761,402 2.763,403 1.157,404 2.564,405 1.408,406 3.509,407 2.063,408 1.131,409 1.592,411 2.685,412 1.049,413 2.5,414 1.256,415 3.472,416 2,417 1,418 1.5,420 2.509,421 1,422 2.5,423 1.057,424 3.247,425 1.958,426 1,427 1.5,428 2.136,429 0.955,430 2.198,431 1,432 3.247,433 1.952,434 1,435 1.171,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.911,442 1,443 1,445 2.136,446 0.904,447 1.202,448 0.687,449 3.099,450 0.808,451 -0.12,452 -0.15,454 -0.372,455 -0.109,456 1,457 -0.044,458 2.6,459 0.49,460 -0.456,461 -0.557,463 -1.194,464 -0.43,465 13.433,466 0.48,467 0.642,468 0.023,469 40.25,470 1.438,471 21.5,472 0.768,473 18.75,474 0.67,475 20.264,476 0.724,477 29.767,478 0.62,479 30.564,480 1.092,481 7.844,482 0.28,483 5.772,484 0.206,485 0.05,486 0.062,487 0.216,493 0.609,494 1.401,495 0.794,496 1.234,497 0.647,498 0.961,499 1.037,500 1.143,501 1.03,502 1.041,503 0.685,504 0.957,505 1.181,506 0.968,507 1.069,508 0.941,509 1.095,510 0.927,511 0.976,512 1.144,513 1.069,514 1.095,515 1.132,516 1.021,517 1.144,518 0.961,519 0.883,520 0.846,521 1.311,522 0.829,523 0.913,524 1.073,525 0.924,526 0.939,527 0.934,528 1.001,529 0.842,530 1.115,531 1.256,532 1.227,533 0.799,534 1.068,535 1.452,536 0.965,537 1.338,538 1.151,539 1.694,540 1.029,541 5.5,542 0.033,543 2.889,544 1.75,545 1.164,546 1.125,547 0.653,548 0.517,549 0.288,550 0.102,551 9367,552 26662,553 2.128,554 41.7,556 19,558 1,564 1.718,565 2.036,566 3.238,567 -0.707,568 1,569 1,573 82.446,574 1.718,575 3.382,576 4.282,577 4.793,578 4.918,579 4.918,580 2.636,581 3.566,582 4.779,583 3.39,584 1281.41,585 8.353,586 16815.6,588 1,590 1,591 268.078,592 1.299,593 4.752,594 0.177,595 0.002,596 0.067,597 0.041,598 0.028,599 0.027,600 0.016,601 0.012,602 0.008,603 0.004,604 0.381,605 0.33,606 1,607 0.444,608 138.556,609 0.068,610 -0.246,611 0.204,612 -0.108,613 -0.116,614 -0.012,615 0.004,616 -0.046,617 -0.054,618 -0.032,619 0.156,620 -0.043,621 -0.116,622 0.078,623 -0.04,624 0.055,625 -0.068,626 0.016,627 0.005,628 -0.114,629 -0.035,630 -0.084,631 0.053,632 -0.059,633 -0.085,634 0.063,635 0.066,636 0.084,637 -0.109,638 0.109,639 0.043,640 0.004,641 -0.018,642 -0.01,643 -0.008,644 -0.085,645 0.046,646 -0.048,647 -0.089,648 -0.116,649 0.078,650 -0.084,651 -0.193,652 0.001,653 -0.189,654 -0.08,655 -0.18,656 -0.049,657 4.43,658 5.827,659 0.857,660 23.73,661 1.011,662 1.122,663 2.734,664 7.475,665 0.69,666 3.466,667 3.784,668 4.025,669 4.277,670 4.511,671 4.543,672 4.745,673 4.844,674 4.949,675 4.977,676 5.999,677 0.659,678 396.51,679 3.466,680 5.004,681 5.844,682 6.72,683 7.578,684 8.462,685 9.328,686 10.216,687 11.087,688 11.976,689 8.3,695 1,699 3,704 10,705 3,709 5,711 18,726 1,731 48,733 20,734 1,735 31,737 51,738 20,739 15,740 1,741 5,746 4,747 4,761 15,762 5,766 2,769 1,771 2,778 1,781 20,782 7,784 8,785 1,790 4,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,848 28,851 1,854 5,856 1,859 1,870 6.3,873 2,874 1,877 13.75,878 8.55,879 6.097,880 2.796,881 2.827,882 1.386,883 1.004,884 5.447,885 10.145,886 3.761,887 4.363,888 4.869,889 5.428,890 5.964,891 6.151,892 6.605,893 6.906,894 7.239,895 7.512,896 1,897 43,898 10.602,900 4.78,901 7.83,902 19.801,904 16.475,905 2.33,906 65.25,909 1,910 235.422,911 126.396,912 53.481,914 55.313,916 6.046,917 120.35,918 290.735,919 53.481,921 14.296,922 91.332,923 117.441,924 21.564,925 2.328,926 223.651,928 235.422,929 173.83,930 55.313,931 6.046,933 237.75,934 44.313,935 11,937 28.857,938 92.289,939 56.403,941 235.422,942 108.794,943 126.396,945 6.046,946 235.422,947 26.016,948 97.458,950 105.669,951 235.422,952 108.794,953 126.396,955 0.577,956 0.329,957 0.179,958 0.1,959 21,960 8,961 0.098,962 5,964 1,965 3.948,966 248.093,968 24,969 124.606,973 1,974 18.702,975 8.155,976 4.447,978 108.794,979 17.31,980 13.444,984 2.443,987 470.611,988 42,991 -3.514,993 25.655,999 48.534,1000 53.863,1001 0.308,1002 0.606,1003 0.767,1004 0.858,1005 0.881,1006 0.881,1007 4.987,1008 1.198,1009 5.838,1010 4.065,1011 4.466,1012 5.05,1013 3.213,1014 6.666,1015 4.318,1016 6.202,1017 1.131,1018 7.407,1019 2.763,1020 4.111,1021 4.987,1022 0.325,1023 7.825,1024 3.793,1025 7.533,1026 1,1027 9.097,1028 2.685,1029 6.111,1030 7.318,1031 5.446,1032 10.872,1033 5.765,1034 8.911,1035 1,1036 10.867,1037 2.509,1038 6.621,1039 8.124,1040 0.268,1041 12.898,1042 6.063,1043 10.33,1044 1,1045 12.689,1046 2.136,1047 8.108,1048 9.958,1049 7.807,1050 15.537,1051 7.513,1052 11.78,1053 1,1054 14.549,1055 2.136,1056 9.004,1057 11.153,1058 0.188,1059 17.872,1060 8.195,1061 13.254,1062 -0.12,1063 16.434,1064 2.136,1065 10.296,1066 12.799,1067 10.177,1068 20.408,1069 9.418,1070 3.393,1071 -0.456,1072 18.34,1073 -0.372,1074 11.363,1075 14.175,1076 0.125,1077 22.855,1078 10.288,1079 3.003,1080 12.509,1081 20.26,1082 -1.194,1083 12.587,1084 15.749,1085 12.548,1086 25.37,1087 11.409,1088 2.684,1089 9.679,1090 22.191,1091 4.705,1092 13.729,1093 17.21,1094 0.082,1095 27.861,1096 12.37,1097 2.292,1098 8.629,1099 24.132,1100 4.009,1101 14.931,1102 18.758,1103 14.919,1104 30.376,1105 13.448,1106 2,1107 6.823,1108 26.081,1109 3.423,1110 16.107,1111 20.26,1112 0.054,1113 32.885,1114 14.454,1115 1.755,1116 5.254,1117 28.036,1118 3.063,1119 17.307,1120 21.8,1121 17.29,1122 35.403,1123 15.514,1124 1.697,1125 4.501,1126 29.997,1127 2.784,1128 18.499,1129 23.322,1130 0.035,1131 37.921,1132 16.542,1133 8864,1134 15122,1135 21.148,1136 33.125,1137 46.361,1138 48.546,1139 46.336,1140 46.427,1141 46.306,1142 61.862,1143 9.865,1144 131.646,1145 43.156,1146 5.855,1147 7.262,1148 7.11,1149 5.367,1150 5.393,1151 7.705,1152 6.545,1153 19.86,1154 4.914,1155 9.124,1156 1.496,1157 1.566,1158 1.495,1159 1.498,1160 1.494,1161 1.996,1162 0.318,1163 4.247,1164 1.392,1165 4.109,1166 4.099,1167 4.743,1168 4.114,1169 7.714,1170 4.016,1171 3.937,1172 3.965,1173 3.923,1174 3.814,1175 6.999,1176 3.826,1177 3.789,1178 3.839,1179 3.71,1180 3.658,1181 5.034,1182 3.658,1183 3.686,1184 3.716,1185 3.675,1186 3.564,1187 4.764,1188 3.534,1189 3.524,1190 3.528,1191 3.502,1192 3.378,1193 4.714,1194 3.363,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.599,1200 2.91,1201 2.95,1202 2.999,1203 2.866,1204 2.848,1205 3.996,1206 2.842,1207 2.894,1208 2.951,1209 2.812,1210 2.735,1211 3.854,1212 2.715,1213 0.157,1214 0.17,1215 0.236,1216 0.137,1217 0.109,1218 4.855,1219 0.152,1220 5.262,1221 0.106,1222 7.308,1223 0.404,1224 4.257,1225 0.094,1226 3.393,1227 4.705,1228 3.272,1229 12.509,1230 2.914,1231 1.993,1232 2.005,1233 2.009,1234 2.083,1235 1.282,1236 2.102,1237 1.879,1238 1.842,1239 1.979,1240 2.001,1241 1.2,1242 2.012,1243 1.75,1244 1.706,1245 1.916,1246 1.933,1247 0.988,1248 1.93,1249 1.624,1250 1.592,1251 1.758,1252 1.791,1253 0.922,1254 1.805,1255 1.403,1256 1.403,1257 1.513,1258 1.554,1259 0.825,1260 1.585,1261 1.153,1262 1.064,1263 1.353,1264 1.376,1265 0.603,1266 1.429,1267 0.94,1268 0.899,1269 1.181,1270 1.123,1271 0.252,1272 1.12,1273 0.886,1274 0.821,1275 1.148,1276 1.066,1277 0.232,1278 1.107,1279 4.143,1281 5.46,1283 6.982,1285 8.589,1287 10.238,1295 2.422,1297 5.411,1300 2.08,1305 31.632,1306 82.446,1307 162.355,1308 205.549,1309 230.078,1310 236.078,1311 236.078,1312 50.744,1313 7.319,1314 85.28,1315 93.66,1316 24,1317 12.509,1318 4.392,1319 3.585,1320 42.033,1321 99,1322 100,1323 0.204,1324 196.994,1325 337.54,1326 472.425,1327 13508,1329 19.399,1330 0.693,1331 0.573,1332 19.649,1333 16.047,1334 13.616,1335 0.439,1336 0.344,1337 9.02,1338 12.294,1339 8.714,1340 7.159,1341 14.437,1342 10.668,1343 12.417,1344 0.289,1345 0.196,1346 13.718,1347 8.417,1348 10.036,1349 0.182,1350 0.111,1351 11.14,1352 6.101,1353 8.476,1354 0.119,1355 0.061,1356 9.508,1357 4.303,1358 6.881,1359 0.076,1360 0.033,1361 7.728,1362 2.961,1363 0.312,1364 93.753,1365 0.217,1366 26.376,1367 0.585,1368 148,1369 466.647,1370 199.533,1371 466.827,1372 632.67,1373 434,1374 172,1375 434.619,1376 231.768,1377 471.145,1378 686.08,1379 442,1380 4.762}
{0 CHEMBL1336,1 1.965,2 14.281,3 4.176,4 17.437,5 110.459,6 9.685,7 0.529,8 4.003,9 4.1,10 3.755,11 3.517,12 5.316,13 3.555,14 4.496,15 4.622,16 4.2,17 3.853,18 6.254,19 3.888,20 4.687,21 4.837,22 4.212,23 3.955,24 6.089,25 3.972,26 4.729,27 4.888,28 4.278,29 3.87,30 6.302,31 3.909,32 4.633,33 4.809,34 4.034,35 3.794,36 6.141,37 3.811,38 4.604,39 4.799,40 3.841,41 3.776,42 5.894,43 3.752,44 4.507,45 4.685,46 3.977,47 3.684,48 6.22,49 3.67,50 4.383,51 4.577,52 3.681,53 3.61,54 5.663,55 3.582,56 0.311,57 0.902,58 5.104,59 4.001,60 37.643,61 3.787,62 1.055,63 1.686,64 11.815,65 6.648,66 147.525,67 6.555,68 0.943,69 1.452,70 18.483,71 8.178,72 99.294,73 8.02,74 1.323,75 1.452,76 26.239,77 8.848,78 158.001,79 8.205,80 1.117,81 1.415,82 18.246,83 7.271,84 116.513,85 7.605,86 1.027,87 1.273,88 21.288,89 8.134,90 142.434,91 8.546,92 1.184,93 1.129,94 18.324,95 6.854,96 152.715,97 8.195,98 0.73,99 1.053,100 16.236,101 6.388,102 91.483,103 6.945,104 55,105 48,106 0.331,107 0.647,108 0.756,109 0.856,110 0.873,111 0.88,112 3.501,113 0.833,114 -3.51,115 -3.48,116 -3.33,119 43.8,124 1,132 1,142 9,143 1,144 5,145 1,146 1,158 1,159 1,172 4,175 6,178 3,179 1,180 4,183 7,186 1,187 3,190 1,192 5,195 6,198 1,199 4,204 4,207 4,211 1,212 5,215 2,217 6,220 4,224 2,232 4,236 1,237 5,240 1,242 5,245 8,250 2,255 2,258 4,263 4,266 1,268 2,271 2,275 1830,276 20.806,277 20.806,278 20.806,279 20.806,280 20.806,281 18.374,282 27.261,283 12.092,284 21.506,285 16.717,286 16.717,287 16.717,288 16.717,289 16.717,290 12.942,291 35.352,292 5.698,293 17.916,294 3.62,295 1.75,296 1.1,297 0.506,298 0.406,299 0.365,300 4.178,301 1,304 1,305 1,306 952,307 4.416,311 372.995,318 2.451,319 58.279,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 73.833,331 457,332 4.547,333 4.475,334 7.24,335 4.244,336 3.377,337 4.049,338 3.825,339 12.181,340 2.944,341 4.229,342 3.563,343 6.062,344 3.837,345 2.866,346 3.823,347 1.656,348 8.764,349 2.785,350 4.066,351 3.555,352 5.644,353 3.683,354 2.72,355 3.635,356 1.058,357 7.822,358 2.609,359 3.875,360 3.063,361 5.565,362 3.519,363 2.58,364 3.161,365 0.86,366 7.541,367 2.405,368 3.704,369 2.994,370 5.413,371 3.332,372 2.4,373 3.009,374 0.247,375 7.063,376 2.229,377 3.547,378 2.575,379 5.211,380 3.124,381 2.195,382 2.804,384 6.337,385 2.036,386 3.361,387 2.395,388 4.965,389 2.936,390 2.011,391 2.613,393 5.825,394 1.806,395 3.175,396 2.246,397 4.578,398 2.71,399 1.738,400 2.359,402 4.786,403 1.597,404 2.847,405 1.789,406 4.063,407 2.351,408 1.412,409 1.947,411 3.427,412 1.315,413 2.583,414 1.433,415 4.032,416 2.114,417 1.154,418 1.616,420 3.137,421 1.089,422 2.568,423 1.187,424 3.473,425 2.075,426 1.102,427 1.566,428 2.48,429 1.069,430 2.5,431 1.086,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.544,439 1,440 3.068,441 1.223,442 0.316,443 0.37,445 0.808,446 0.276,447 1.471,448 0.86,449 2.898,450 1.174,451 0.188,452 0.223,454 0.331,455 0.183,456 1.444,457 0.704,458 2.828,459 1.024,460 0.136,461 0.167,463 0.249,464 0.108,465 14.671,466 0.458,467 1.021,468 0.032,469 43.5,470 1.359,471 22.5,472 0.703,473 21,474 0.656,475 23.394,476 0.731,477 35.129,478 0.732,479 38.162,480 1.193,481 9.153,482 0.286,483 5.998,484 0.187,485 0.187,486 0.034,487 0.307,490 3,493 0.672,494 1.018,495 0.554,496 0.944,497 0.612,498 0.824,499 0.517,500 0.801,501 0.611,502 0.927,503 0.43,504 0.908,505 0.935,506 0.909,507 0.936,508 0.987,509 0.751,510 0.982,511 1.088,512 1.107,513 1.071,514 1.179,515 1.047,516 1.061,517 0.873,518 0.815,519 0.804,520 0.914,521 1.013,522 1.01,523 1.047,524 0.881,525 0.996,526 0.952,527 1.056,528 1.054,529 0.365,530 0.644,531 0.656,532 0.919,533 0.347,534 1.007,535 0.884,536 0.873,537 0.969,538 0.973,539 0.846,540 1.059,541 9,542 0.178,543 3.556,544 2.563,545 1.716,546 0.979,547 0.891,548 0.307,549 0.411,550 0.279,551 15376,552 65351,553 1.968,554 33.3,556 12,558 1,559 3,564 1.738,565 1.803,566 3.763,567 0.946,569 1,573 94.33,574 1.965,575 3.835,576 4.485,577 5.079,578 5.179,579 5.22,580 3.254,581 4.563,582 4.974,583 4.01,584 1989.05,585 8.658,586 31334,591 268.078,592 1.663,593 4.899,594 0.265,595 0.007,596 0.074,597 0.053,598 0.038,599 0.024,600 0.026,601 0.009,602 0.014,603 0.01,604 0.521,605 0.33,606 0.88,607 1.042,608 172.898,609 -0.085,610 -0.089,611 -0.005,612 -0.02,613 -0.105,614 0.022,615 0.329,616 0.244,617 0.097,618 0.014,619 0.36,620 -0.038,621 -0.142,622 -0.113,623 -0.055,624 -0.044,625 -0.061,626 -0.038,627 -0.065,628 -0.162,629 0.01,630 -0.189,631 -0.046,632 -0.097,633 0.026,634 0.089,635 -0.036,636 -0.003,637 -0.075,638 -0.064,639 -0.179,640 -0.018,641 -0.109,642 0.022,643 -0.185,644 -0.009,645 0.46,646 0.153,647 0.226,648 0.031,649 0.427,650 0.014,651 -0.126,652 -0.039,653 -0.089,654 -0.011,655 -0.106,656 -0.021,657 5.892,658 5.121,659 0.563,660 37.637,661 1.048,662 1.144,663 2.279,664 5.192,665 0.691,666 3.555,667 3.892,668 4.06,669 4.263,670 4.431,671 4.394,672 4.533,673 4.489,674 4.554,675 4.605,676 8.626,677 0.696,678 464.86,679 3.555,680 5.106,681 5.927,682 6.801,683 7.638,684 8.511,685 9.353,686 10.224,687 11.071,688 11.94,689 8.3,696 3,699 1,704 10,705 1,709 7,711 18,718 1,729 1,730 1,731 48,733 20,734 2,735 34,737 50,738 21,739 17,740 5,741 7,742 1,746 3,747 3,748 1,751 1,752 1,757 1,761 19,762 2,766 2,771 2,775 2,778 1,779 3,781 16,782 10,783 3,784 11,785 1,790 4,794 1,795 3,805 1,812 3,840 3,844 1,845 1,846 3,848 32,855 3,856 1,860 1,869 4,870 6.3,873 2,875 1,877 17.75,878 8.855,879 6.972,880 2.537,881 3.315,882 1.441,883 0.976,884 7.36,885 10.836,886 3.829,887 4.413,888 4.896,889 5.413,890 5.919,891 5.977,892 6.322,893 6.484,894 6.755,895 7.102,896 1,897 48,898 12.345,900 5.799,901 8.449,902 20.963,904 16.414,905 2.949,906 94.361,910 153.024,911 144.913,912 70.818,913 39.149,914 61.29,915 44.88,917 144.913,918 253.463,919 115.698,920 8.396,921 54.032,922 85.286,923 83.551,924 90.371,925 4.276,926 141.253,927 46.908,928 153.024,929 215.731,930 106.17,931 39.149,933 153.024,934 106.17,937 73.596,938 125.35,939 55.934,941 197.905,942 132.108,943 184.062,946 160.784,947 34.424,948 102.73,949 54.032,950 162.104,951 153.024,952 176.988,953 184.062,955 0.589,956 0.327,957 0.166,958 0.088,959 21,960 11,961 0.1,962 5,964 1,965 4.301,966 271.251,968 18,969 151.245,974 23.544,975 10.003,976 6.443,978 176.988,979 13.766,980 3.94,984 -0.192,986 54.032,987 514.074,988 45,993 23.764,997 -1.095,999 50.32,1000 54.906,1001 0.352,1002 0.687,1003 0.803,1004 0.909,1005 0.927,1006 0.935,1007 5.072,1008 1.738,1009 5.953,1010 5.825,1011 4.575,1012 5.1,1013 3.38,1014 6.765,1015 4.44,1016 6.3,1017 1.412,1018 7.526,1019 4.786,1020 4.369,1021 4.966,1022 3.949,1023 7.861,1024 4.067,1025 7.618,1026 1.154,1027 9.204,1028 3.427,1029 6.225,1030 7.25,1031 5.479,1032 10.845,1033 5.94,1034 8.965,1035 1.102,1036 10.948,1037 3.137,1038 6.77,1039 7.816,1040 6.701,1041 12.764,1042 6.297,1043 10.339,1044 1,1045 12.737,1046 2.48,1047 8.176,1048 9.65,1049 8.067,1050 15.376,1051 7.698,1052 11.73,1053 0.316,1054 14.559,1055 2.275,1056 9.059,1057 10.553,1058 9.391,1059 17.645,1060 8.396,1061 13.137,1062 0.188,1063 16.409,1064 0.808,1065 10.306,1066 12.182,1067 10.736,1068 20.162,1069 9.597,1070 3.377,1071 0.136,1072 18.281,1073 0.331,1074 11.352,1075 13.275,1076 12.075,1077 22.573,1078 10.466,1079 2.866,1080 12.181,1081 20.173,1082 0.249,1083 12.548,1084 14.794,1085 13.417,1086 25.07,1087 11.579,1088 2.72,1089 8.764,1090 22.08,1091 4.049,1092 13.671,1093 15.999,1094 14.758,1095 27.535,1096 12.536,1097 2.58,1098 7.822,1099 24.001,1100 3.823,1101 14.857,1102 17.455,1103 16.1,1104 30.03,1105 13.611,1106 2.4,1107 7.541,1108 25.933,1109 3.635,1110 16.02,1111 18.729,1112 17.441,1113 32.516,1114 14.614,1115 2.195,1116 7.063,1117 27.875,1118 3.161,1119 17.21,1120 20.15,1121 18.783,1122 35.013,1123 15.673,1124 2.011,1125 6.337,1126 29.823,1127 3.009,1128 18.393,1129 21.465,1130 20.124,1131 37.507,1132 16.701,1133 15123,1134 31467,1135 21.671,1136 33.148,1137 51.216,1138 52.199,1139 52.202,1140 50.72,1141 50.392,1142 65.683,1143 15.294,1144 146.047,1145 46.9,1146 5.419,1147 6.475,1148 6.794,1149 5.319,1150 5.377,1151 7.049,1152 5.335,1153 19.593,1154 4.944,1155 20.629,1156 1.506,1157 1.535,1158 1.535,1159 1.492,1160 1.482,1161 1.932,1162 0.45,1163 4.296,1164 1.379,1165 3.988,1166 4.014,1167 4.047,1168 3.891,1169 8.513,1170 3.896,1171 3.924,1172 3.946,1173 3.912,1174 3.836,1175 7.999,1176 3.842,1177 3.837,1178 3.871,1179 3.792,1180 3.731,1181 7.999,1182 3.741,1183 3.482,1184 3.542,1185 3.491,1186 3.207,1187 7.432,1188 3.245,1189 3.442,1190 3.496,1191 3.387,1192 3.162,1193 7.428,1194 3.209,1195 3.276,1196 3.319,1197 3.356,1198 2.98,1199 4.97,1200 3.031,1201 3.003,1202 3.05,1203 3.172,1204 2.805,1205 4.902,1206 2.81,1207 2.947,1208 2.997,1209 2.861,1210 2.786,1211 4.739,1212 2.774,1213 0.134,1214 0.132,1215 0.213,1216 0.125,1217 0.099,1218 4.547,1219 0.119,1220 4.475,1221 0.113,1222 7.24,1223 0.358,1224 4.244,1225 0.087,1226 3.377,1227 4.049,1228 3.825,1229 12.181,1230 2.944,1231 1.911,1232 1.889,1233 1.999,1234 2.036,1235 1.099,1236 2.023,1237 1.886,1238 1.867,1239 1.957,1240 1.995,1241 1.065,1242 1.985,1243 1.8,1244 1.77,1245 1.896,1246 1.931,1247 0.937,1248 1.924,1249 1.382,1250 1.309,1251 1.674,1252 1.68,1253 0.677,1254 1.678,1255 1.278,1256 1.237,1257 1.373,1258 1.597,1259 0.329,1260 1.533,1261 1.076,1262 1.038,1263 1.205,1264 1.406,1265 0.258,1266 1.321,1267 0.961,1268 0.904,1269 1.196,1270 1.199,1271 0.238,1272 1.194,1273 0.887,1274 0.845,1275 1.181,1276 1.11,1277 0.218,1278 1.107,1279 4.234,1281 5.565,1283 7.072,1285 8.658,1287 10.285,1289 1.488,1290 5.568,1291 38.817,1296 7.288,1297 5.658,1301 -4.642,1305 33.422,1306 94.33,1307 184.065,1308 215.284,1309 243.814,1310 248.568,1311 250.568,1312 91.208,1313 7.521,1314 92.35,1315 92.35,1316 18,1317 12.488,1318 4.392,1319 3.585,1320 61.745,1321 169,1322 152,1323 0.177,1324 208.921,1325 376.83,1326 501.528,1327 20990,1328 8.3,1329 23.303,1330 0.728,1331 0.538,1332 21.303,1333 17.213,1334 15.151,1335 0.446,1336 0.278,1337 8.887,1338 14.02,1339 8.726,1340 7.21,1341 14.229,1342 9.441,1343 14.506,1344 0.302,1345 0.141,1346 12.882,1347 6.761,1348 10.793,1349 0.189,1350 0.077,1351 10.512,1352 4.398,1353 8.636,1354 0.123,1355 0.04,1356 7.83,1357 2.808,1358 6.703,1359 0.081,1360 0.021,1361 6.322,1362 1.759,1363 0.289,1364 100.132,1365 0.215,1366 30.681,1367 0.452,1368 164,1369 766.387,1370 212.555,1371 681.716,1372 873.99,1373 628,1374 187,1375 586.788,1376 223.738,1377 579.809,1378 860.84,1379 543,1380 5}
{0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,119 37.3,120 2,125 6,142 4,143 1,144 2,145 1,147 2,149 1,152 1,158 1,162 1,172 4,174 2,175 6,178 3,180 3,183 4,186 1,187 1,190 1,192 5,195 4,198 3,199 4,202 3,204 2,207 5,211 1,212 5,215 1,216 1,220 1,223 2,224 5,227 1,232 5,236 2,237 6,240 2,242 2,245 1,250 1,253 1,255 5,262 3,263 3,266 2,268 2,271 1,275 2001,276 22.195,277 22.195,278 22.195,279 22.195,280 22.195,281 19.929,282 32.957,283 13.115,284 23.048,285 17.742,286 17.742,287 17.742,288 17.742,289 17.742,290 14.303,291 53.106,292 6.184,293 19.239,294 4.101,295 2.018,296 1.131,297 0.568,298 0.568,299 0.568,300 4.224,301 1,305 1,306 1026,307 3.464,310 97.808,311 357.583,318 2.349,319 33.625,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 71.833,331 479,332 4.372,333 3.598,334 6.427,335 3.97,336 3.025,337 4.012,338 1.058,339 9.81,340 2.855,341 4.278,342 3.209,343 6.209,344 3.89,345 2.963,346 3.905,347 0.8,348 9.352,349 2.742,350 4.182,351 3.187,352 6.053,353 3.729,354 2.816,355 3.795,356 0.8,357 8.741,358 2.583,359 3.731,360 2.874,361 5.56,362 3.499,363 2.572,364 2.948,365 0.4,366 7.535,367 2.377,368 3.573,369 2.712,370 5.322,371 3.261,372 2.344,373 2.8,375 6.886,376 2.131,377 3.377,378 2.486,379 5.139,380 3.091,381 2.175,382 2.481,384 6.287,385 1.978,386 3.232,387 2.379,388 4.841,389 2.799,390 1.879,391 2.478,393 5.178,394 1.722,395 3.232,396 2.119,397 4.717,398 2.782,399 1.854,400 2.446,402 5.104,403 1.638,404 2.898,405 1.66,406 4.254,407 2.451,408 1.484,409 2.064,411 3.876,412 1.433,413 2.623,414 1.578,415 4.184,416 2.329,417 1.39,418 1.628,420 3.748,421 1.3,422 2.572,423 1.558,424 3.789,425 2.079,426 1.12,427 1.553,428 2.808,429 1.051,430 2.17,431 1.399,432 3.414,433 1.967,434 1.025,435 1.055,436 2.275,437 0.965,438 2.062,439 1.146,440 3.275,441 1.935,442 1,443 1.003,445 1.824,446 0.926,447 2,448 1.064,449 3.163,450 1.528,451 0.688,452 1,454 1.676,455 0.566,456 1.58,457 0.727,458 2.952,459 1.216,460 0.302,461 0.362,463 0.714,464 0.248,465 16.014,466 0.485,467 0.835,468 0.025,469 41.75,470 1.265,471 19,472 0.576,473 22.75,474 0.689,475 31.371,476 0.951,477 36.186,478 0.613,479 31.424,480 0.952,481 8.116,482 0.246,483 7.807,484 0.237,485 0.149,487 0.331,493 0.871,494 1.516,495 0.673,496 0.997,497 0.729,498 0.939,499 0.846,500 1.116,501 0.718,502 0.852,503 0.638,504 0.832,505 1.049,506 1.094,507 0.974,508 0.982,509 0.885,510 0.963,511 0.792,512 1.051,513 0.939,514 1.061,515 0.784,516 1.089,517 1.031,518 0.858,519 0.993,520 0.89,521 0.99,522 0.89,523 1.204,524 0.956,525 0.805,526 0.815,527 1.435,528 0.852,529 0.825,530 1.14,531 1.308,532 1.304,533 0.675,534 1.059,535 0.943,536 1.085,537 1.039,538 1.08,539 0.788,540 0.962,541 7.5,542 0.133,543 3.556,544 2.222,545 1.899,546 1.181,547 0.688,548 0.518,549 0.28,550 0.313,551 16711,552 48685,553 2.061,554 44.1,555 3,556 16,558 1,559 3,560 3,564 1.749,565 1.922,566 3.77,567 0.922,573 105.106,574 1.781,575 3.865,576 4.752,577 5.315,578 5.315,579 5.315,580 3.242,581 4.62,582 5.014,583 3.973,584 2097.49,585 8.765,586 32631.5,591 347.076,592 1.434,593 4.971,594 0.208,595 0.004,596 0.071,597 0.044,598 0.04,599 0.026,600 0.016,601 0.013,602 0.008,603 0.01,604 0.443,605 0.17,606 0.88,607 0.871,608 178.143,609 -0.103,610 -0.284,611 0.036,612 -0.029,613 -0.079,614 -0.005,615 0.046,616 0.031,617 0.118,618 0.1,619 0.062,620 0.096,621 -0.089,622 -0.01,623 -0.037,624 -0.021,625 -0.048,626 -0.022,627 0.071,628 -0.045,629 -0.009,630 -0.095,631 0.049,632 -0.103,633 0.004,634 0.083,635 0.046,636 0.094,637 0.05,638 0.101,639 -0.092,640 0.057,641 0.17,642 0.214,643 -0.151,644 0.114,645 0.027,646 -0.048,647 -0.116,648 -0.117,649 0.047,650 -0.054,651 -0.055,652 -0.037,653 -0.057,654 -0.038,655 0.005,656 0.009,657 1.933,658 5.693,659 0.697,660 39.278,661 1.01,662 1.134,663 3.268,664 10.678,665 0.679,666 3.611,667 3.932,668 4.174,669 4.419,670 4.595,671 4.654,672 4.727,673 4.868,674 4.963,675 5.03,676 8.272,677 0.642,678 488.07,679 3.611,680 5.153,681 5.994,682 6.866,683 7.721,684 8.595,685 9.455,686 10.33,687 11.193,688 12.069,689 11.9,692 1,695 1,696 1,697 1,699 3,704 5,705 3,708 1,709 8,711 17,718 1,724 1,726 1,730 1,731 59,733 18,734 1,735 36,737 62,738 22,739 13,740 3,741 3,742 1,746 4,747 4,748 1,752 3,761 14,762 8,766 1,771 1,775 1,781 26,782 9,783 3,784 11,785 2,790 7,794 1,795 2,796 1,806 1,811 1,812 3,836 1,838 1,840 4,842 1,844 2,845 1,848 33,853 1,854 6,855 2,859 2,863 1,869 1,870 3.4,871 1,873 1,877 17.167,878 11.093,879 7.278,880 3.454,881 3.184,882 1.4,883 0.966,884 7.884,885 11.14,886 3.839,887 4.41,888 4.923,889 5.448,890 5.849,891 6.035,892 6.261,893 6.662,894 7.016,895 7.296,896 0.9,897 50,898 12.193,900 5.129,901 7.771,902 23.249,904 18.825,905 2.271,906 74.944,910 270.735,911 129.4,912 92.627,913 39.149,914 67.828,916 31.278,917 98.122,918 377.712,919 92.627,920 17.65,921 28.539,922 80.588,923 91.977,924 45.578,925 6.014,926 290.242,927 39.149,928 270.735,929 190.749,930 67.828,931 70.426,933 273.063,934 25.145,935 42.683,937 76.873,938 61.191,939 89.505,940 31.278,941 270.735,942 160.455,943 168.548,946 270.735,947 64.797,948 70.851,949 36.022,950 157.334,951 270.735,952 160.455,953 168.548,955 0.58,956 0.336,957 0.181,958 0.095,959 23,960 11,961 0.113,962 7,964 1,965 4.446,966 295.833,968 23,969 157.71,970 1,974 23.984,975 10.847,976 6.05,978 160.455,979 8.899,980 13.38,983 1.238,984 5.123,986 78.705,987 599.738,988 45.5,993 12.693,997 -0.267,999 59.603,1000 66.923,1001 0.303,1002 0.657,1003 0.808,1004 0.903,1005 0.903,1006 0.903,1007 5.083,1008 1.854,1009 5.979,1010 5.178,1011 4.615,1012 5.097,1013 1.701,1014 6.765,1015 4.459,1016 6.275,1017 1.484,1018 7.525,1019 5.104,1020 4.205,1021 4.89,1022 0.57,1023 7.582,1024 3.955,1025 7.573,1026 1.39,1027 9.164,1028 3.876,1029 6.192,1030 7.225,1031 1.5,1032 10.652,1033 5.89,1034 8.9,1035 1.12,1036 10.857,1037 3.748,1038 6.567,1039 7.811,1040 0.479,1041 12.26,1042 6.171,1043 10.257,1044 1.025,1045 12.583,1046 2.808,1047 8.028,1048 9.634,1049 1.472,1050 14.832,1051 7.584,1052 11.634,1053 1,1054 14.333,1055 2.275,1056 8.766,1057 10.595,1058 0.346,1059 16.784,1060 8.236,1061 13.027,1062 0.688,1063 16.099,1064 1.824,1065 10.009,1066 12.196,1067 1.501,1068 19.165,1069 9.429,1070 3.025,1071 0.302,1072 17.878,1073 1.676,1074 10.924,1075 13.348,1076 0.237,1077 21.277,1078 10.265,1079 2.963,1080 9.81,1081 19.668,1082 0.714,1083 12.072,1084 14.841,1085 1.556,1086 23.582,1087 11.36,1088 2.816,1089 9.352,1090 21.465,1091 4.012,1092 13.074,1093 16.092,1094 0.158,1095 25.769,1096 12.288,1097 2.572,1098 8.741,1099 23.27,1100 3.905,1101 14.182,1102 17.529,1103 1.626,1104 28.043,1105 13.339,1106 2.344,1107 7.535,1108 25.08,1109 3.795,1110 15.226,1111 18.834,1112 0.104,1113 30.267,1114 14.314,1115 2.175,1116 6.886,1117 26.894,1118 2.948,1119 16.319,1120 20.242,1121 1.706,1122 32.531,1123 15.348,1124 1.879,1125 6.287,1126 28.713,1127 2.8,1128 17.383,1129 21.575,1130 0.068,1131 34.773,1132 16.347,1133 15991,1134 27529,1135 23.868,1136 40.068,1137 53.852,1138 54.91,1139 55.262,1140 53.389,1141 53.272,1142 67.06,1143 6.117,1144 151.631,1145 49.029,1146 5.372,1147 5.598,1148 6.197,1149 5.109,1150 5.025,1151 7.012,1152 2.117,1153 16.37,1154 4.855,1155 17.595,1156 1.496,1157 1.525,1158 1.535,1159 1.483,1160 1.48,1161 1.863,1162 0.17,1163 4.212,1164 1.362,1165 3.993,1166 4.038,1167 4.246,1168 3.912,1169 7.429,1170 3.896,1171 3.92,1172 3.959,1173 4.011,1174 3.82,1175 6.456,1176 3.802,1177 3.818,1178 3.859,1179 3.872,1180 3.722,1181 5.005,1182 3.706,1183 3.72,1184 3.768,1185 3.641,1186 3.54,1187 4.93,1188 3.553,1189 3.421,1190 3.49,1191 3.369,1192 3.194,1193 4.789,1194 3.196,1195 3.274,1196 3.332,1197 3.265,1198 3.052,1199 4.361,1200 3.062,1201 3.176,1202 3.256,1203 3.233,1204 3.035,1205 4.336,1206 3.014,1207 3.148,1208 3.223,1209 2.993,1210 2.957,1211 4.037,1212 2.958,1213 0.121,1214 0.1,1215 0.179,1216 0.11,1217 0.084,1218 4.372,1219 0.111,1220 3.598,1221 0.029,1222 6.427,1223 0.273,1224 3.97,1225 0.079,1226 3.025,1227 4.012,1228 1.058,1229 9.81,1230 2.855,1231 1.911,1232 1.888,1233 2.006,1234 2.062,1235 1.314,1236 2.049,1237 1.849,1238 1.791,1239 2.005,1240 1.998,1241 1.136,1242 2.007,1243 1.692,1244 1.628,1245 1.843,1246 1.911,1247 0.964,1248 1.898,1249 1.495,1250 1.496,1251 1.677,1252 1.655,1253 0.854,1254 1.659,1255 1.385,1256 1.315,1257 1.545,1258 1.646,1259 0.825,1260 1.631,1261 1.298,1262 1.238,1263 1.532,1264 1.521,1265 0.668,1266 1.532,1267 1.204,1268 1.129,1269 1.513,1270 1.407,1271 0.605,1272 1.459,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.593,1278 1.429,1279 4.29,1281 5.609,1282 2.398,1283 7.111,1284 4.595,1285 8.696,1286 6.581,1287 10.323,1289 3.742,1290 6.22,1294 9.128,1295 4.286,1296 6.061,1300 4.441,1305 37.862,1306 105.106,1307 228.043,1308 280.347,1309 313.566,1310 313.566,1311 313.566,1312 60.808,1313 7.956,1314 106.51,1315 134.75,1316 23,1317 12.611,1318 4.248,1319 3.392,1320 54.607,1321 165,1322 182,1323 0.16,1324 240.898,1325 411.56,1326 579.551,1327 36058,1328 1.7,1329 23.372,1330 0.708,1331 0.608,1332 24.225,1333 20.08,1334 15.923,1335 0.442,1336 0.329,1337 10.585,1338 14.517,1339 10.203,1340 8.418,1341 16.62,1342 11.853,1343 14.445,1344 0.289,1345 0.184,1346 15.485,1347 9.189,1348 11.81,1349 0.185,1350 0.103,1351 12.975,1352 6.588,1353 9.89,1354 0.121,1355 0.056,1356 11.004,1357 4.619,1358 7.523,1359 0.077,1360 0.029,1361 8.334,1362 2.857,1363 0.258,1364 107.355,1365 0.205,1366 31.192,1367 0.419,1368 172,1369 521.84,1370 232.562,1371 553.559,1372 745.38,1373 518,1374 200,1375 507.292,1376 253.281,1377 537.185,1378 787.64,1379 505,1380 5}
{0 CHEMBL14762,1 1.5,2 9.462,3 3.181,4 10.12,5 106.143,6 6.817,7 0.571,8 4.034,9 4.18,10 3.519,11 3.496,12 5.088,13 3.472,14 4.572,15 4.785,16 3.856,17 3.869,18 5.559,19 3.815,20 4.81,21 5.061,22 3.912,23 3.985,24 5.757,25 3.906,26 4.882,27 5.147,28 3.89,29 3.981,30 5.84,31 3.892,32 4.843,33 5.117,34 3.806,35 3.913,36 5.833,37 3.834,38 4.671,39 4.9,40 3.827,41 3.894,42 5.652,43 3.838,44 4.764,45 4.999,46 3.846,47 3.969,48 5.745,49 3.896,50 4.877,51 5.132,52 3.736,53 4.031,54 5.779,55 3.9,56 0.052,57 0.803,58 12.071,59 4.161,60 11.302,61 6.38,62 0.304,63 1.233,64 21.878,65 6.999,66 27.887,67 10.721,68 0.365,69 1.431,70 28.413,71 8.106,72 37.986,73 13.299,74 0.425,75 1.463,76 31.008,77 8.473,78 44.897,79 13.926,80 0.557,81 1.385,82 30.377,83 6.812,84 60.496,85 12.199,86 0.263,87 1.314,88 24.475,89 6.143,90 29.225,91 10.697,92 0.429,93 1.397,94 27.167,95 6.888,96 37.375,97 11.79,98 0.346,99 1.421,100 30.375,101 9.501,102 43.03,103 14.901,104 28,105 38,106 0.252,107 0.595,108 0.767,109 0.831,110 0.84,111 0.84,112 3.305,113 0.966,114 -4.72,115 -4.63,116 -4.35,119 36.5,120 3,121 1,125 2,127 2,142 5,143 1,146 1,147 1,150 1,160 1,161 1,172 7,174 3,175 2,178 3,180 2,183 7,186 2,190 1,191 1,192 4,195 3,198 1,199 7,202 3,203 1,204 3,212 5,215 3,217 1,224 9,229 6,237 9,240 1,241 1,242 3,250 6,253 1,255 2,258 5,263 2,268 4,271 9,275 1070,276 17.74,277 17.74,278 17.74,279 17.74,280 17.74,281 15.891,282 24.833,283 10.529,284 18.162,285 13.704,286 13.704,287 13.704,288 13.704,289 13.704,290 10.846,291 38.665,292 4.846,293 14.447,294 4.201,295 2.156,296 1.133,297 0.75,298 0.697,299 0.697,300 3.986,303 1,304 1,305 1,306 513,307 3.742,310 59.154,311 151.285,314 107.706,318 1.462,319 20.389,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 56,331 246,332 4.656,333 3.293,334 6.805,335 4.159,336 3.226,337 4.614,338 0.657,339 11.227,340 3.01,341 3.93,342 2.838,343 5.977,344 3.583,345 2.649,346 3.451,347 0.4,348 8.354,349 2.519,350 3.863,351 2.769,352 5.526,353 3.513,354 2.542,355 3.308,357 7.443,358 2.438,359 3.663,360 2.587,361 5.342,362 3.398,363 2.436,364 2.987,366 6.952,367 2.327,368 3.239,369 2.136,370 4.978,371 2.952,372 2.021,373 2.306,375 5.785,376 1.874,377 3.071,378 1.937,379 4.958,380 2.77,381 1.826,382 2.2,384 5.252,385 1.72,386 2.908,387 1.584,388 3.925,389 2.48,390 1.49,391 2.069,393 3.199,394 1.474,395 2.568,396 1.191,397 3.675,398 2.039,399 1.129,400 1.595,402 2.828,403 1.027,404 2.5,405 1.075,406 3.61,407 2,408 1,409 1.5,411 2.389,412 1,413 2.196,414 1.003,415 3.247,416 1.865,417 0.926,418 1.132,420 2.136,421 0.867,422 1.759,423 1,424 3.088,425 1.556,426 0.618,427 0.618,428 1.222,429 0.572,430 1.618,431 0.651,432 2.914,433 1.432,434 0.505,435 0.612,436 0.791,437 0.467,438 1.33,439 0.4,440 2.627,441 1.103,442 0.202,443 0.22,445 0.358,446 0.181,447 1,448 -0.155,449 2.618,450 0.611,451 -0.325,452 -0.41,454 -0.788,455 -0.302,456 0.735,457 -0.299,458 2.244,459 0.409,460 -0.52,461 -0.598,463 -1.136,464 -0.481,465 12.233,466 0.471,467 0.554,468 0.021,469 32.5,470 1.25,471 15,472 0.577,473 17.5,474 0.673,475 22.94,476 0.882,477 29.167,478 0.561,479 23.064,480 0.887,481 6.142,482 0.236,483 6.476,484 0.249,485 0.15,487 0.319,493 1.034,494 1.604,495 0.904,496 1.231,497 1.021,498 1.076,499 0.853,500 1.101,501 0.894,502 1.024,503 0.841,504 0.977,505 0.899,506 1.143,507 0.911,508 0.992,509 0.748,510 0.953,511 1.067,512 1.092,513 0.957,514 0.986,515 1.088,516 0.96,517 1.466,518 0.9,519 1.103,520 0.74,521 1.294,522 0.837,523 1.376,524 1.269,525 1.148,526 1.026,527 0.944,528 1.028,529 1.361,530 1.058,531 1.239,532 0.969,533 0.953,534 1.046,535 1.059,536 1.038,537 1.16,538 1.136,539 0.941,540 1.154,541 5,542 0.074,543 2.444,544 1.66,545 1.286,546 0.854,547 0.678,548 0.478,549 0.38,550 0.136,551 7233,552 16884,553 2.037,554 50,555 3,556 11,558 1,559 3,561 8,564 1.698,565 1.902,566 3.228,567 0.974,568 1,569 1,573 77.991,574 1.5,575 3.544,576 4.568,577 4.95,578 5.003,579 5.003,580 2.676,581 4.085,582 4.667,583 3.393,584 1102.79,585 8.128,586 13859,588 1,590 1,591 296.423,592 1.42,593 4.628,594 0.179,595 0.005,596 0.064,597 0.043,598 0.035,599 0.025,600 0.019,601 0.013,602 0.012,603 0.006,604 0.401,605 0.17,606 1,607 1.317,608 126.185,609 -0.083,610 -0.298,611 0.043,612 -0.081,613 -0.128,614 -0.016,615 0.174,616 0.066,617 0.084,618 0.01,619 0.037,620 0.021,621 0.098,622 -0.076,623 0.075,624 -0.017,625 0.07,626 0.018,627 0.056,628 -0.071,629 0.047,630 -0.045,631 -0.034,632 -0.012,633 -0.137,634 0.139,635 -0.066,636 0.129,637 -0.089,638 0.058,639 -0.259,640 -0.097,641 -0.149,642 -0.071,643 -0.113,644 -0.084,645 -0.181,646 0.099,647 -0.233,648 -0.025,649 -0.065,650 -0.111,651 -0.101,652 -0.015,653 -0.191,654 -0.129,655 0.005,656 -0.161,657 1.464,658 3.474,659 0.577,660 24.935,661 0.996,662 1.141,663 3.488,664 12.167,665 0.637,666 3.367,667 3.664,668 3.932,669 4.19,670 4.394,671 4.522,672 4.673,673 4.82,674 4.828,675 4.787,676 5.937,677 0.598,678 354.51,679 3.367,680 4.89,681 5.733,682 6.605,683 7.473,684 8.357,685 9.237,686 10.129,687 11.017,688 11.915,689 11.5,694 2,697 1,699 3,703 2,704 6,705 3,709 3,710 1,711 16,724 2,731 52,733 16,734 1,735 28,737 54,738 19,739 11,740 1,741 5,746 3,747 4,752 4,758 3,761 11,762 8,777 1,778 1,781 26,782 6,783 3,784 7,787 1,790 6,794 0.667,795 1,796 1,806 1,811 1,812 2,815 1,838 1,840 2,844 3,848 26,853 1,854 3,855 2,858 2,870 1.9,871 1,877 13.667,878 9.917,879 5.944,880 3.294,881 2.998,882 1.418,883 0.936,884 6.069,885 10.168,886 3.611,887 4.201,888 4.813,889 5.43,890 5.949,891 6.273,892 6.662,893 7.062,894 7.196,895 7.407,896 1,897 39,898 9.596,900 3.941,901 7.635,902 18.531,904 14.826,905 2.135,906 55.5,909 1,910 270.735,911 98.388,912 88.277,914 42.683,917 98.388,918 313.419,919 88.277,920 26.476,921 4.64,922 90.065,923 108.483,924 7.229,925 4.227,926 258.964,928 270.735,929 186.665,930 42.683,933 176.567,934 94.169,935 42.683,937 47.392,938 52.895,939 86.378,941 270.735,942 130.961,943 98.388,946 270.735,947 15.912,948 84.375,949 36.022,950 93.04,951 270.735,952 130.961,953 98.388,955 0.568,956 0.337,957 0.179,958 0.095,959 17,960 8,961 0.148,962 8,963 1,964 1.133,965 3.729,966 214.862,967 0.133,968 15,969 116.211,974 18.617,975 8.475,976 4.34,977 1.526,978 129.061,979 11.954,980 13.75,984 2.351,985 2.024,986 78.705,987 500.084,988 36,999 51.774,1000 59.351,1001 0.263,1002 0.622,1003 0.801,1004 0.868,1005 0.878,1006 0.878,1007 4.828,1008 1.129,1009 5.707,1010 3.199,1011 4.344,1012 4.887,1013 0.781,1014 6.509,1015 4.235,1016 6.021,1017 1,1018 7.259,1019 2.828,1020 3.892,1021 4.677,1023 7.416,1024 3.73,1025 7.321,1026 0.926,1027 8.913,1028 2.389,1029 5.922,1030 7.114,1031 0.354,1032 10.518,1033 5.695,1034 8.662,1035 0.618,1036 10.627,1037 2.136,1038 6.312,1039 7.805,1041 12.286,1042 6.017,1043 10.039,1044 0.505,1045 12.383,1046 1.222,1047 7.793,1048 9.7,1049 0.157,1050 14.919,1051 7.44,1052 11.444,1053 0.202,1054 14.167,1055 0.791,1056 8.577,1057 10.827,1059 17.057,1060 8.147,1061 12.872,1062 -0.325,1063 15.973,1064 0.358,1065 9.844,1066 12.501,1067 0.069,1068 19.542,1069 9.355,1070 3.226,1071 -0.52,1072 17.797,1073 -0.788,1074 10.822,1075 13.844,1077 21.84,1078 10.252,1079 2.649,1080 11.227,1081 19.635,1082 -1.136,1083 12.008,1084 15.427,1085 0.03,1086 24.277,1087 11.375,1088 2.542,1089 8.354,1090 21.485,1091 4.614,1092 13.08,1093 16.871,1095 26.644,1096 12.367,1097 2.436,1098 7.443,1099 23.346,1100 3.451,1101 14.241,1102 18.418,1103 0.013,1104 29.066,1105 13.461,1106 2.021,1107 6.952,1108 25.215,1109 3.308,1110 15.359,1111 19.909,1113 31.461,1114 14.501,1115 1.826,1116 5.785,1117 27.091,1118 2.987,1119 16.516,1120 21.443,1121 0.006,1122 33.879,1123 15.587,1124 1.49,1125 5.252,1126 28.973,1127 2.306,1128 17.657,1129 22.954,1131 36.287,1132 16.652,1133 7195,1134 11124,1135 18.493,1136 33.103,1137 41.172,1138 41.64,1139 42.947,1140 41.092,1141 41.139,1142 53.225,1143 2.115,1144 115.87,1145 38.951,1146 5.503,1147 5.293,1148 6.607,1149 5.24,1150 5.226,1151 7.614,1152 1.315,1153 18.537,1154 5.01,1155 13.218,1156 1.47,1157 1.487,1158 1.534,1159 1.468,1160 1.469,1161 1.901,1162 0.076,1163 4.138,1164 1.391,1165 4.109,1166 4.166,1167 4.087,1168 3.925,1169 6.456,1170 3.957,1171 3.901,1172 3.936,1173 3.827,1174 3.83,1175 5.145,1176 3.828,1177 3.724,1178 3.791,1179 3.6,1180 3.55,1181 4.754,1182 3.548,1183 3.573,1184 3.646,1185 3.44,1186 3.405,1187 4.57,1188 3.401,1189 3.295,1190 3.383,1191 3.143,1192 3.093,1193 4.246,1194 3.095,1195 3.236,1196 3.329,1197 3.093,1198 2.998,1199 4.099,1200 3.006,1201 3.138,1202 3.211,1203 2.94,1204 2.871,1205 4.078,1206 2.882,1207 2.874,1208 3.009,1209 2.717,1210 2.735,1211 3.748,1212 2.715,1213 0.166,1214 0.118,1215 0.243,1216 0.149,1217 0.115,1218 4.656,1219 0.165,1220 3.293,1221 0.023,1222 6.805,1223 0.401,1224 4.159,1225 0.108,1226 3.226,1227 4.614,1228 0.657,1229 11.227,1230 3.01,1231 1.918,1232 1.885,1233 2.043,1234 2.062,1235 1.23,1236 2.043,1237 1.828,1238 1.779,1239 1.968,1240 1.983,1241 1.17,1242 1.989,1243 1.691,1244 1.625,1245 1.937,1246 1.9,1247 1.148,1248 1.913,1249 1.617,1250 1.555,1251 1.759,1252 1.814,1253 0.837,1254 1.812,1255 1.246,1256 1.166,1257 1.55,1258 1.508,1259 0.688,1260 1.526,1261 1.182,1262 1.1,1263 1.469,1264 1.461,1265 0.623,1266 1.472,1267 1.151,1268 1.067,1269 1.417,1270 1.413,1271 0.469,1272 1.412,1273 0.934,1274 0.821,1275 1.359,1276 1.239,1277 0.353,1278 1.308,1279 4.043,1281 5.342,1282 2.398,1283 6.838,1284 4.727,1285 8.427,1286 6.862,1287 10.069,1289 6.2,1294 9.474,1295 1.473,1296 6.588,1299 0.161,1305 31.111,1306 77.991,1307 184.307,1308 237.529,1309 257.403,1310 260.158,1311 260.158,1312 42.011,1313 7.169,1314 87.89,1315 87.89,1316 17,1317 12.441,1318 4.087,1319 3.17,1320 43.987,1321 90,1322 96,1323 0.238,1324 195.115,1325 323.79,1326 467.841,1327 11364,1329 18.518,1330 0.712,1331 0.595,1332 18.518,1333 15.476,1334 12.618,1335 0.451,1336 0.322,1337 8.887,1338 12.128,1339 8.601,1340 7.244,1341 12.618,1342 9.017,1343 10.91,1344 0.287,1345 0.173,1346 10.91,1347 6.585,1348 9.128,1349 0.183,1350 0.087,1351 9.128,1352 4.327,1353 7.521,1354 0.116,1355 0.042,1356 7.521,1357 2.723,1358 5.813,1359 0.073,1360 0.021,1361 5.813,1362 1.679,1363 0.365,1364 79.084,1365 0.233,1366 24.877,1367 0.678,1368 132,1369 351.396,1370 146.123,1371 343.576,1372 480.25,1373 324,1374 154,1375 363.797,1376 169.15,1377 368.515,1378 541.86,1379 347,1380 5}
{0 CHEMBL1511858,1 1.615,2 13.893,3 3.769,4 14.205,5 102.837,6 8.342,7 0.71,8 3.94,9 4.028,10 3.605,11 3.478,12 5.162,13 3.497,14 4.411,15 4.529,16 3.942,17 3.808,18 5.634,19 3.82,20 4.565,21 4.719,22 3.873,23 3.825,24 5.786,25 3.8,26 4.571,27 4.765,28 3.792,29 3.739,30 5.709,31 3.716,32 4.479,33 4.684,34 3.684,35 3.644,36 5.649,37 3.623,38 4.323,39 4.498,40 3.557,41 3.511,42 5.537,43 3.5,44 4.218,45 4.38,46 3.519,47 3.52,48 5.373,49 3.497,50 4.275,51 4.46,52 3.506,53 3.574,54 5.456,55 3.508,56 0.107,57 0.631,58 7.205,59 3.951,60 8.337,61 4.29,62 0.338,63 0.956,64 13.688,65 6.323,66 23.841,67 7.103,68 0.628,69 1.083,70 18.282,71 7.26,72 48.452,73 8.364,74 0.451,75 1.092,76 20.183,77 7.336,78 35.954,79 8.888,80 0.416,81 0.999,82 19.001,83 6.598,84 42.232,85 8.022,86 0.465,87 0.837,88 15.66,89 5.503,90 43.821,91 6.074,92 0.326,93 0.766,94 13.149,95 5.293,96 29.104,97 5.925,98 0.334,99 0.811,100 14.128,101 6.075,102 32.853,103 7.714,104 5,105 42,106 0.273,107 0.595,108 0.742,109 0.844,110 0.844,111 0.844,112 3.373,113 0.837,114 -4.59,115 -4.51,116 -4.25,119 46.7,120 1,125 1,142 10,143 2,144 2,151 1,152 1,158 1,161 2,166 1,172 10,174 2,175 6,178 1,180 2,183 10,186 3,187 9,190 1,192 2,195 6,198 1,199 12,204 1,212 11,217 2,220 1,224 7,227 2,229 2,232 3,237 4,240 1,242 1,245 8,249 2,250 1,255 1,258 10,262 3,266 1,268 1,271 8,275 1294,276 19.17,277 19.17,278 19.17,279 19.17,280 19.17,281 16.427,282 13.231,283 11.459,284 19.389,285 15.325,286 15.325,287 15.325,288 15.325,289 15.325,290 11.255,291 15.896,292 5.505,293 15.668,294 3.877,295 1.975,296 1.111,297 0.506,298 0.506,299 0.506,300 4.071,303 1,304 1,305 1,306 855,307 3.082,310 177.247,311 211.734,318 2.337,319 26.283,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 61.5,331 389,332 4.379,333 3.621,334 6.29,335 3.986,336 3.004,337 4.068,338 2.03,339 9.575,340 2.949,341 4.096,342 3.003,343 5.998,344 3.715,345 2.729,346 3.687,347 0.892,348 8.567,349 2.691,350 4.016,351 2.874,352 5.49,353 3.602,354 2.634,355 3.615,356 0.141,357 7.387,358 2.55,359 3.836,360 2.711,361 5.399,362 3.488,363 2.505,364 3.273,366 7.125,367 2.455,368 3.54,369 2.444,370 4.918,371 3.143,372 2.166,373 2.841,375 5.776,376 2.113,377 3.39,378 2.402,379 4.783,380 2.987,381 2,382 2.69,384 5.401,385 1.955,386 3.259,387 1.878,388 4.609,389 2.81,390 1.82,391 2.512,393 4.883,394 1.796,395 2.75,396 1.448,397 4.085,398 2.285,399 1.306,400 1.853,402 3.415,403 1.276,404 2.5,405 1.338,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.414,416 2,417 1,418 1.5,420 2.275,421 1,422 2.263,423 1,424 3.303,425 1.771,426 0.799,427 1.153,428 1.941,429 0.774,430 2.118,431 0.819,432 3.203,433 1.618,434 0.666,435 0.927,436 1.55,437 0.618,438 2.118,439 0.618,440 3.163,441 1.608,442 0.618,443 0.927,445 1.542,446 0.611,447 1.869,448 0.618,449 3,450 1.571,451 0.618,452 0.763,454 1.372,455 0.593,456 1.291,457 0.548,458 2.655,459 0.94,460 -0.029,461 -0.035,463 -0.071,464 -0.028,465 13.033,466 0.465,467 0.588,468 0.021,469 40.75,470 1.455,471 22.5,472 0.804,473 18.25,474 0.652,475 17.681,476 0.631,477 28.967,478 0.644,479 29.289,480 1.046,481 8.487,482 0.303,483 5.182,484 0.185,485 0.064,487 0.307,493 0.797,494 1.114,495 0.67,496 1.045,497 0.642,498 0.87,499 0.921,500 1.146,501 0.794,502 1.068,503 0.685,504 0.945,505 0.994,506 1.084,507 1.078,508 1.066,509 1.112,510 1.09,511 1.119,512 1.135,513 0.981,514 1.04,515 0.888,516 0.987,517 1.182,518 1.022,519 0.962,520 0.909,521 1.351,522 0.877,523 1.458,524 0.838,525 1.149,526 0.86,527 1.86,528 0.914,529 1.237,530 0.899,531 1.064,532 0.929,533 1.337,534 0.954,535 0.578,536 1.061,537 0.916,538 1.114,539 0.685,540 1.106,541 5.5,542 0.155,543 2.889,544 0.778,545 1.274,546 0.716,547 0.375,548 0.327,549 0.144,550 0.158,551 12193,552 35256,553 2.137,554 37.8,555 3,556 12,557 1,559 1,564 1.702,565 2.049,566 3.745,567 -0.323,569 1,573 72.653,574 1.615,575 3.517,576 4.381,577 4.986,578 4.986,579 4.986,580 3.261,581 4.209,582 4.776,583 3.935,584 1487.52,585 8.259,586 21183.7,588 1,590 1,591 247.133,592 1.198,593 4.76,594 0.177,595 0.009,596 0.069,597 0.021,598 0.037,599 0.023,600 0.014,601 0.012,602 0.006,603 0.008,604 0.376,605 0.17,606 1,607 0.444,608 145.305,609 -0.02,610 -0.039,611 0.059,612 -0.074,613 -0.061,614 -0.007,615 0.067,616 -0.125,617 0.05,618 -0.099,619 0.047,620 -0.051,621 0.101,622 -0.087,623 -0.137,624 -0.105,625 -0.012,626 -0.165,627 -0.084,628 -0.15,629 0.032,630 -0.08,631 0.004,632 -0.013,633 -0.154,634 -0.029,635 0.068,636 0.048,637 -0.042,638 0.104,639 -0.211,640 0.162,641 -0.137,642 0.086,643 -0.23,644 0.012,645 -0.191,646 0.088,647 -0.123,648 0.048,649 -0.186,650 -0.01,651 0.181,652 -0.112,653 0.026,654 -0.103,655 0.203,656 -0.084,657 1.911,658 5.055,659 0.786,660 32.974,661 1.018,662 1.116,663 3.363,664 11.31,665 0.693,666 3.466,667 3.761,668 3.989,669 4.205,670 4.344,671 4.394,672 4.466,673 4.575,674 4.615,675 4.654,676 8.06,677 0.68,678 375.41,679 3.466,680 4.99,681 5.82,682 6.673,683 7.517,684 8.372,685 9.222,686 10.079,687 10.933,688 11.792,689 6.7,696 1,699 2,704 11,705 2,707 2,709 7,711 22,729 1,731 45,733 23,734 2,735 31,737 48,738 21,739 18,740 4,741 8,746 4,747 4,752 1,761 19,762 2,766 1,771 1,775 1,778 1,780 1,781 17,782 7,783 1,784 7,790 3,794 1,795 4,811 2,812 2,826 1,840 4,844 1,848 28,854 1,855 1,856 1,870 8.9,873 1,875 3,877 13.667,878 8.483,879 6.139,880 2.529,881 3.694,882 1.494,883 0.996,884 5.33,885 11.168,886 3.784,887 4.376,888 4.925,889 5.484,890 5.884,891 6.154,892 6.5,893 6.89,894 7.21,895 7.453,896 1,897 37,898 10.279,900 4.327,901 7.815,902 19.267,904 15.281,905 2.315,906 64.833,909 1,910 188.338,911 154.484,912 51.337,914 55.16,917 154.484,918 243.497,919 51.337,920 8.825,921 22.603,922 106.502,923 73.216,924 44.386,925 17.22,926 176.567,928 188.338,929 205.821,930 55.16,933 188.338,934 55.16,937 41.468,938 131.027,939 33.326,941 188.338,942 106.496,943 154.484,946 188.338,947 39.157,948 115.327,949 18.011,950 88.486,951 188.338,952 106.496,953 154.484,955 0.577,956 0.326,957 0.169,958 0.087,959 20,960 8,961 0.125,962 6,964 1,965 4.252,966 228.605,968 22,969 126.606,974 18.169,975 8.213,976 4.566,978 106.496,979 19.656,980 7.986,982 10.844,984 4.356,986 18.011,987 449.318,988 43,993 12.055,997 -0.244,999 45.8,1000 50.239,1001 0.294,1002 0.64,1003 0.798,1004 0.908,1005 0.908,1006 0.908,1007 4.987,1008 1.306,1009 5.778,1010 4.883,1011 4.443,1012 5.063,1013 2.272,1014 6.518,1015 4.4,1016 6.183,1017 1,1018 7.29,1019 3.415,1020 3.892,1021 4.677,1022 1.593,1023 7.248,1024 3.839,1025 7.466,1026 1,1027 8.894,1028 2.275,1029 5.974,1030 7.21,1031 3.266,1032 10.292,1033 5.889,1034 8.785,1035 0.799,1036 10.554,1037 2.275,1038 6.256,1039 7.67,1040 3.201,1041 11.859,1042 6.157,1043 10.131,1044 0.666,1045 12.25,1046 1.941,1047 7.753,1048 9.597,1049 4.494,1050 14.381,1051 7.629,1052 11.498,1053 0.618,1054 13.971,1055 1.55,1056 8.417,1057 10.46,1058 4.75,1059 16.304,1060 8.276,1061 12.878,1062 0.618,1063 15.71,1064 1.542,1065 9.671,1066 12.117,1067 5.814,1068 18.643,1069 9.51,1070 3.004,1071 -0.029,1072 17.464,1073 1.372,1074 10.528,1075 13.199,1076 6.248,1077 20.73,1078 10.349,1079 2.729,1080 9.575,1081 19.228,1082 -0.071,1083 11.674,1084 14.721,1085 7.174,1086 23.002,1087 11.478,1088 2.634,1089 8.567,1090 21.001,1091 4.068,1092 12.632,1093 15.928,1094 7.714,1095 25.167,1096 12.417,1097 2.505,1098 7.387,1099 22.781,1100 3.687,1101 13.731,1102 17.38,1103 8.557,1104 27.415,1105 13.499,1106 2.166,1107 7.125,1108 24.568,1109 3.615,1110 14.743,1111 18.659,1112 9.16,1113 29.619,1114 14.492,1115 2,1116 5.776,1117 26.361,1118 3.273,1119 15.823,1120 20.076,1121 9.952,1122 31.861,1123 15.556,1124 1.82,1125 5.401,1126 28.157,1127 2.841,1128 16.864,1129 21.398,1130 10.594,1131 34.085,1132 16.578,1133 11362,1134 19539,1135 21.266,1136 31.165,1137 46.428,1138 46.745,1139 46.267,1140 45.707,1141 45.728,1142 62.619,1143 6.127,1144 126.169,1145 44.761,1146 5.272,1147 5.621,1148 5.887,1149 5.051,1150 5.004,1151 7.068,1152 3.634,1153 16.012,1154 4.949,1155 10.109,1156 1.498,1157 1.508,1158 1.492,1159 1.474,1160 1.475,1161 2.02,1162 0.198,1163 4.07,1164 1.444,1165 4.026,1166 4.043,1167 3.996,1168 3.895,1169 7.429,1170 3.908,1171 3.918,1172 3.94,1173 3.856,1174 3.839,1175 5.307,1176 3.838,1177 3.867,1178 3.886,1179 3.813,1180 3.731,1181 4.988,1182 3.753,1183 3.611,1184 3.64,1185 3.569,1186 3.352,1187 4.847,1188 3.402,1189 3.475,1190 3.503,1191 3.407,1192 3.227,1193 4.688,1194 3.271,1195 3.17,1196 3.24,1197 3.023,1198 2.997,1199 4.325,1200 2.99,1201 2.87,1202 2.941,1203 2.748,1204 2.735,1205 3.943,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.848,1212 2.715,1213 0.141,1214 0.117,1215 0.203,1216 0.129,1217 0.097,1218 4.379,1219 0.131,1220 3.621,1221 0.065,1222 6.29,1223 0.309,1224 3.986,1225 0.095,1226 3.004,1227 4.068,1228 2.03,1229 9.575,1230 2.949,1231 1.911,1232 1.887,1233 2.029,1234 2.018,1235 1.12,1236 2.018,1237 1.897,1238 1.873,1239 2.002,1240 1.987,1241 1.097,1242 1.995,1243 1.531,1244 1.511,1245 1.669,1246 1.72,1247 0.751,1248 1.68,1249 1.438,1250 1.407,1251 1.625,1252 1.683,1253 0.727,1254 1.655,1255 1.34,1256 1.33,1257 1.494,1258 1.586,1259 0.571,1260 1.566,1261 1.189,1262 1.131,1263 1.442,1264 1.428,1265 0.383,1266 1.441,1267 1.091,1268 1.046,1269 1.213,1270 1.35,1271 0.282,1272 1.316,1273 0.886,1274 0.821,1275 1.181,1276 1.094,1277 0.218,1278 1.107,1279 4.143,1281 5.442,1282 3.045,1283 6.913,1284 5.209,1285 8.458,1286 7.154,1287 10.043,1289 1.992,1295 -0.068,1296 2.784,1297 5.472,1305 30.611,1306 72.653,1307 158.251,1308 197.159,1309 224.379,1310 224.379,1311 224.379,1312 39.815,1313 7.475,1314 90.39,1315 90.39,1316 22,1317 12.344,1318 4.585,1319 3.7,1320 42.894,1321 137,1322 132,1323 0.15,1324 186.803,1325 317.94,1326 447.558,1327 20008,1329 19.347,1330 0.691,1331 0.539,1332 19.347,1333 15.085,1334 13.67,1335 0.441,1336 0.279,1337 8.494,1338 13.037,1339 8.307,1340 6.916,1341 13.67,1342 8.644,1343 12.203,1344 0.291,1345 0.146,1346 12.203,1347 6.117,1348 10.077,1349 0.19,1350 0.075,1351 10.077,1352 3.963,1353 8.058,1354 0.122,1355 0.038,1356 8.058,1357 2.516,1358 6.058,1359 0.08,1360 0.02,1361 6.058,1362 1.557,1363 0.247,1364 86.546,1365 0.217,1366 27.71,1367 0.382,1368 146,1369 498.565,1370 165.224,1371 470.962,1372 645.41,1373 442,1374 168,1375 484.443,1376 187.975,1377 482.71,1378 700.33,1379 453,1380 4.398}
{0 CHEMBL1614701,1 2.039,2 9.815,3 3.234,4 10.461,5 102.384,6 10.898,7 0.552,8 3.88,9 3.977,10 3.747,11 3.406,12 5.143,13 3.419,14 4.367,15 4.502,16 4.17,17 3.789,18 5.626,19 3.787,20 4.575,21 4.72,22 4.313,23 3.908,24 5.974,25 3.885,26 4.605,27 4.779,28 4.414,29 3.873,30 5.96,31 3.844,32 4.549,33 4.713,34 4.164,35 3.765,36 6.036,37 3.785,38 4.562,39 4.689,40 4.272,41 3.821,42 6.169,43 3.842,44 4.586,45 4.746,46 4.239,47 3.795,48 5.983,49 3.784,50 4.555,51 4.749,52 4.302,53 3.728,54 5.806,55 3.674,56 0.255,57 0.679,58 3.015,59 3.461,60 19.199,61 3.449,62 0.538,63 1.037,64 9.729,65 5.922,66 42.845,67 5.857,68 0.872,69 1.262,70 23.78,71 7.869,72 71.232,73 7.961,74 0.832,75 1.321,76 33.428,77 8.205,78 63.717,79 8.272,80 0.944,81 1.243,82 17.834,83 7.175,84 108.942,85 7.332,86 1.045,87 1.235,88 16.589,89 7.522,90 112.204,91 6.621,92 0.901,93 1.128,94 16.171,95 7.214,96 90.926,97 6.667,98 0.973,99 1.017,100 26.345,101 8.19,102 84.24,103 7.949,104 42,105 41,106 0.356,107 0.753,108 0.855,109 0.905,110 0.905,111 0.905,112 3.341,113 0.929,114 -4.17,115 -4.11,116 -3.89,117 1,119 40.5,124 1,125 2,142 4,143 1,144 5,146 1,152 1,158 1,160 1,168 1,172 2,174 1,175 2,178 1,180 3,183 4,186 1,187 4,190 1,192 5,195 3,199 2,202 2,203 2,207 3,211 1,215 3,217 1,220 4,223 2,224 2,227 2,229 2,232 3,236 1,237 8,242 4,245 1,250 6,254 1,258 1,263 2,266 1,268 1,275 1213,276 17.922,277 17.922,278 17.922,279 17.922,280 17.922,281 15.746,282 18.997,283 10.554,284 18.585,285 14.227,286 14.227,287 14.227,288 14.227,289 14.227,290 10.912,291 21.153,292 4.957,293 15.422,294 3.353,295 1.078,296 0.494,297 0.208,298 0.208,299 0.208,300 4.016,301 1,304 1,305 1,306 553,307 3.536,310 66.456,311 150.725,314 114.279,318 1.317,319 41.631,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 60.583,331 265,332 4.714,333 4.038,334 6.907,335 4.258,336 3.294,337 4.67,338 2.095,339 11.539,340 3.175,341 4.256,342 3.489,343 6.343,344 3.807,345 2.878,346 3.9,347 0.776,348 9.524,349 2.692,350 4.109,351 3.223,352 6.047,353 3.688,354 2.728,355 3.664,356 0.4,357 8.648,358 2.558,359 3.719,360 3.179,361 5.738,362 3.307,363 2.364,364 3.105,366 7.429,367 2.202,368 3.45,369 2.777,370 5.009,371 2.959,372 2.101,373 2.765,375 5.856,376 1.734,377 3.112,378 2.668,379 4.883,380 2.729,381 1.796,382 2.263,384 5.049,385 1.627,386 2.878,387 2.206,388 4.334,389 2.483,390 1.573,391 2.019,393 3.971,394 1.404,395 2.801,396 1.846,397 4.163,398 2.342,399 1.4,400 1.925,402 3.664,403 1.305,404 2.618,405 1.772,406 3.809,407 2.312,408 1.377,409 1.615,411 3.006,412 1.223,413 2.337,414 1.579,415 3.551,416 1.86,417 0.949,418 1.257,420 2.282,421 0.858,422 1.797,423 1.217,424 3.364,425 1.578,426 0.664,427 0.724,428 1.493,429 0.587,430 1.72,431 0.92,432 2.826,433 1.391,434 0.471,435 0.561,436 0.903,437 0.405,438 1.279,439 0.715,440 2.764,441 0.838,442 -0.006,443 -0.007,445 -0.014,446 -0.004,447 1.065,448 0.527,449 2.432,450 0.65,451 -0.266,452 -0.313,454 -0.551,455 -0.236,456 0.797,457 0.24,458 2.359,459 0.494,460 -0.44,461 -0.521,463 -0.847,464 -0.264,465 13.433,466 0.498,467 0.754,468 0.028,469 34,470 1.259,471 16,472 0.593,473 18,474 0.667,475 24.068,476 0.891,477 29.167,478 0.694,479 26.718,480 0.99,481 6.889,482 0.255,483 6.029,484 0.223,485 0.261,487 0.365,491 1,493 0.744,494 1.144,495 0.484,496 0.767,497 0.662,498 0.773,499 0.938,500 1.005,501 0.584,502 0.67,503 0.73,504 0.712,505 0.871,506 1.093,507 0.976,508 0.962,509 0.846,510 0.946,511 1.02,512 1.14,513 0.708,514 0.893,515 1.089,516 0.94,517 1.119,518 1.081,519 0.409,520 0.733,521 1.342,522 0.779,523 1.29,524 1.367,525 0.662,526 0.939,527 1.494,528 0.967,529 1.248,530 1.075,531 0.652,532 0.902,533 1.308,534 1.005,535 1.15,536 0.893,537 0.901,538 0.854,539 1.013,540 0.892,541 5.5,542 0.123,543 3.778,544 2.194,545 2.129,546 1.285,547 0.801,548 0.585,549 0.417,550 0.198,551 7560,552 31134,553 1.992,554 35.7,556 11,558 1,559 3,564 1.709,565 1.82,566 3.224,567 1.055,569 1,573 85.632,574 2.039,575 4.315,576 4.898,577 5.184,578 5.184,579 5.184,580 2.658,581 4.607,582 4.72,583 3.374,584 1184.36,585 8.245,586 14907.7,591 226.477,592 1.541,593 4.659,594 0.19,595 0.009,596 0.092,597 0.05,598 0.052,599 0.031,600 0.019,601 0.016,602 0.013,603 0.009,604 0.481,605 0.33,606 1,607 1.539,608 131.576,609 -0.069,610 -0.097,611 -0.007,612 0.02,613 -0.089,614 0.025,615 -0.134,616 -0.008,617 0.02,618 0.162,619 -0.061,620 0.145,621 0.06,622 -0.065,623 -0.074,624 -0.024,625 0.037,626 -0.036,627 -0.042,628 -0.023,629 0.063,630 0.006,631 -0.074,632 -0.021,633 0.034,634 0.095,635 0.039,636 0.085,637 0.007,638 0.106,639 0.004,640 -0.046,641 -0.061,642 -0.07,643 0.024,644 -0.135,645 -0.188,646 -0.075,647 -0.026,648 -0.059,649 -0.166,650 -0.131,651 -0.096,652 0.033,653 0.079,654 0.123,655 -0.086,656 0.107,657 2.362,658 7.137,659 0.556,660 23.923,661 1.039,662 1.135,663 2.942,664 8.656,665 0.711,666 3.401,667 3.738,668 4.025,669 4.29,670 4.533,671 4.673,672 4.771,673 4.89,674 4.92,675 4.868,676 5.818,677 0.694,678 457.71,679 3.401,680 4.949,681 5.808,682 6.698,683 7.585,684 8.487,685 9.386,686 10.293,687 11.199,688 12.111,689 9.5,696 1,697 2,699 1,703 2,704 5,705 1,709 6,710 1,711 16,724 1,730 3,731 42,733 17,734 2,735 29,736 1,737 44,738 17,739 13,740 8,741 4,742 1,746 3,747 4,748 1,752 1,761 14,762 3,766 1,771 1,775 1,778 1,779 1,781 15,782 7,783 3,784 10,785 2,787 1,790 4,794 0.667,795 3,796 1,811 1,812 2,815 1,834 1,838 1,840 2,843 1,844 1,845 1,846 1,848 27,853 1,854 2,855 2,856 1,869 3,870 7.1,871 1,873 1,874 1,877 14.833,878 7.779,879 6.028,880 2.231,881 3.269,882 1.449,883 0.962,884 6.34,885 10.541,886 3.664,887 4.314,888 4.943,889 5.554,890 6.11,891 6.5,892 6.891,893 7.294,894 7.528,895 7.756,896 0.857,897 44,898 10.009,900 4.336,901 8.143,902 18.167,904 14.449,905 2.643,906 71.361,909 1,910 141.253,911 92.881,912 103.275,913 39.149,914 79.047,915 14.96,917 138.835,918 259.449,919 72.281,920 8.396,921 25.217,922 80.588,923 78.244,924 46.43,925 17.104,926 129.482,927 85.103,928 141.253,929 150.202,930 94.007,931 39.149,932 45.954,933 156.213,934 25.145,935 53.902,937 55.89,938 77.526,939 55.934,940 45.954,941 156.213,942 136.367,943 177.984,946 141.253,947 37.961,948 56.819,949 84.59,950 149.941,951 141.253,952 151.328,953 177.984,955 0.582,956 0.344,957 0.181,958 0.102,959 19,960 10,961 0.136,962 6,963 1,964 1.133,965 3.693,966 233.122,967 0.133,968 15,969 128.382,974 20.044,975 8.541,976 4.253,977 0.549,978 149.429,979 7.978,980 4.044,984 0.733,985 1.597,986 81.319,987 470.565,988 38,993 12.504,997 -0.679,999 43.64,1000 47.653,1001 0.378,1002 0.8,1003 0.908,1004 0.961,1005 0.961,1006 0.961,1007 4.905,1008 1.4,1009 5.814,1010 3.971,1011 4.419,1012 5.001,1013 2.425,1014 6.663,1015 4.272,1016 6.142,1017 1.377,1018 7.404,1019 3.664,1020 4.111,1021 4.997,1023 7.65,1024 3.868,1025 7.477,1026 0.949,1027 9.097,1028 3.006,1029 6.047,1030 7.302,1031 3.697,1032 10.784,1033 5.807,1034 8.852,1035 0.664,1036 10.848,1037 2.282,1038 6.553,1039 8.124,1041 12.59,1042 6.241,1043 10.26,1044 0.471,1045 12.636,1046 1.493,1047 7.986,1048 9.935,1049 5.14,1050 15.259,1051 7.669,1052 11.692,1053 -0.006,1054 14.45,1055 0.903,1056 8.854,1057 11.129,1059 17.407,1060 8.483,1061 13.142,1062 -0.266,1063 16.283,1064 -0.014,1065 10.104,1066 12.757,1067 6.612,1068 19.918,1069 9.717,1070 3.294,1071 -0.44,1072 18.13,1073 -0.551,1074 11.136,1075 14.125,1077 22.219,1078 10.705,1079 2.878,1080 11.539,1081 19.988,1082 -0.847,1083 12.322,1084 15.684,1085 8.09,1086 24.675,1087 11.869,1088 2.728,1089 9.524,1090 21.855,1091 4.67,1092 13.428,1093 17.135,1095 27.047,1096 12.937,1097 2.364,1098 8.648,1099 23.73,1100 3.9,1101 14.596,1102 18.671,1103 9.57,1104 29.486,1105 14.078,1106 2.101,1107 7.429,1108 25.611,1109 3.664,1110 15.737,1111 20.163,1113 31.892,1114 15.185,1115 1.796,1116 5.856,1117 27.497,1118 3.105,1119 16.904,1120 21.693,1121 11.049,1122 34.328,1123 16.322,1124 1.573,1125 5.049,1126 29.388,1127 2.765,1128 18.062,1129 23.206,1131 36.751,1132 17.448,1133 7581,1134 15494,1135 18.611,1136 29.864,1137 43.574,1138 47.308,1139 46.09,1140 43.577,1141 43.192,1142 56.939,1143 6.542,1144 126.727,1145 39.542,1146 5.603,1147 6.038,1148 6.817,1149 5.307,1150 5.294,1151 7.67,1152 4.191,1153 19.207,1154 5.175,1155 16.18,1156 1.503,1157 1.631,1158 1.589,1159 1.503,1160 1.489,1161 1.963,1162 0.226,1163 4.37,1164 1.364,1165 4.134,1166 4.172,1167 6.88,1168 4.012,1169 8.201,1170 4.031,1171 3.893,1172 3.915,1173 4.119,1174 3.855,1175 7.429,1176 3.837,1177 3.624,1178 3.663,1179 3.944,1180 3.385,1181 6.457,1182 3.42,1183 3.497,1184 3.548,1185 3.569,1186 3.265,1187 4.996,1188 3.279,1189 3.25,1190 3.298,1191 3.38,1192 3.012,1193 4.923,1194 3.034,1195 3.021,1196 3.104,1197 3.238,1198 2.915,1199 4.634,1200 2.872,1201 2.893,1202 2.954,1203 3.16,1204 2.789,1205 4.366,1206 2.763,1207 2.877,1208 2.922,1209 2.813,1210 2.615,1211 4.248,1212 2.65,1213 0.163,1214 0.139,1215 0.238,1216 0.147,1217 0.114,1218 4.714,1219 0.161,1220 4.038,1221 0.072,1222 6.907,1223 0.398,1224 4.258,1225 0.109,1226 3.294,1227 4.67,1228 2.095,1229 11.539,1230 3.175,1231 1.956,1232 1.936,1233 1.996,1234 2.066,1235 1.174,1236 2.048,1237 1.841,1238 1.826,1239 1.887,1240 1.912,1241 1.049,1242 1.922,1243 1.498,1244 1.426,1245 1.738,1246 1.788,1247 0.946,1248 1.766,1249 1.461,1250 1.403,1251 1.693,1252 1.742,1253 0.754,1254 1.729,1255 1.205,1256 1.178,1257 1.302,1258 1.494,1259 0.261,1260 1.436,1261 0.995,1262 0.949,1263 1.179,1264 1.243,1265 0.256,1266 1.226,1267 0.868,1268 0.824,1269 1.129,1270 1.149,1271 0.172,1272 1.176,1273 0.855,1274 0.758,1275 1.085,1276 1.015,1277 0.126,1278 1.058,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.727,1285 8.558,1286 6.823,1287 10.241,1288 3.304,1289 1.692,1290 6.201,1291 15.137,1294 8.767,1295 -0.363,1296 5.044,1297 4.853,1305 29.154,1306 85.632,1307 181.216,1308 205.722,1309 217.722,1310 217.722,1311 217.722,1312 68.247,1313 7.272,1314 88.41,1315 88.41,1316 17,1317 12.626,1318 4.17,1319 3.322,1320 46.543,1321 89,1322 120,1323 0.25,1324 188.852,1325 322.69,1326 452.558,1327 12800,1328 7.1,1329 19.552,1330 0.724,1331 0.609,1332 20.181,1333 16.435,1334 12.918,1335 0.445,1336 0.31,1337 7.712,1338 11.365,1339 7.489,1340 6.157,1341 13.356,1342 8.977,1343 11.669,1344 0.285,1345 0.169,1346 12.426,1347 6.912,1348 9.859,1349 0.179,1350 0.083,1351 10.171,1352 4.56,1353 7.964,1354 0.111,1355 0.044,1356 8.532,1357 3.189,1358 6.314,1359 0.069,1360 0.022,1361 6.491,1362 2.012,1363 0.38,1364 94.181,1365 0.232,1366 25.445,1367 0.728,1368 140,1369 554.546,1370 239.385,1371 566.313,1372 730.5,1373 524,1374 166,1375 471.144,1376 225.954,1377 489.793,1378 717.91,1379 458,1380 5}
{0 CHEMBL1615182,1 1.641,2 9.963,3 3.863,4 14.921,5 101.092,6 8.741,7 0.733,8 3.865,9 3.984,10 3.562,11 3.377,12 5.152,13 3.412,14 4.308,15 4.464,16 3.911,17 3.73,18 5.579,19 3.742,20 4.502,21 4.694,22 3.923,23 3.788,24 5.699,25 3.793,26 4.511,27 4.723,28 3.92,29 3.748,30 5.733,31 3.752,32 4.455,33 4.648,34 3.91,35 3.76,36 5.7,37 3.777,38 4.503,39 4.701,40 3.941,41 3.825,42 5.744,43 3.82,44 4.491,45 4.684,46 3.842,47 3.832,48 5.707,49 3.805,50 4.494,51 4.702,52 3.689,53 3.761,54 5.703,55 3.693,56 0.116,57 0.713,58 5.919,59 2.777,60 12.678,61 3.045,62 0.323,63 1.089,64 10.337,65 4.659,66 18.057,67 5.497,68 0.341,69 1.216,70 15.352,71 5.405,72 38.369,73 6.603,74 0.49,75 1.225,76 16.442,77 5.271,78 38.496,79 6.684,80 0.388,81 1.191,82 14.532,83 4.615,84 38.639,85 5.431,86 0.445,87 1.235,88 15.4,89 5.381,90 31.683,91 6.781,92 0.346,93 1.184,94 14.88,95 5.696,96 34.378,97 6.857,98 0.351,99 1.101,100 16.199,101 6.505,102 34.143,103 8.416,104 8,105 41,106 0.281,107 0.64,108 0.782,109 0.89,110 0.91,111 0.91,112 3.341,113 0.808,114 -4.05,115 -4,116 -3.78,119 43.9,125 1,142 8,144 2,146 1,148 1,150 2,152 1,158 1,162 1,172 5,174 6,175 2,178 4,180 4,183 5,187 4,190 1,192 2,195 2,198 3,199 8,202 4,203 1,204 4,211 2,212 6,217 2,223 1,224 9,227 4,228 1,229 1,232 4,236 2,237 4,242 2,245 6,250 5,253 2,255 5,258 4,262 1,263 2,266 1,268 3,271 2,275 1240,276 18.731,277 18.731,278 18.731,279 18.731,280 18.731,281 15.93,282 22.719,283 11.433,284 19.263,285 14.857,286 14.857,287 14.857,288 14.857,289 14.857,290 10.63,291 35.1,292 5.449,293 15.798,294 3.716,295 1.623,296 0.799,297 0.165,298 0.049,299 0.049,300 4.042,303 1,304 1,305 1,306 582,307 2.828,310 53.684,311 220.794,314 105.113,318 1.449,319 25.323,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 59,331 269,332 4.694,333 4.043,334 6.941,335 4.205,336 3.278,337 4.631,338 2.436,339 11.765,340 3.045,341 4.049,342 3.37,343 5.832,344 3.625,345 2.663,346 3.679,347 0.4,348 8.059,349 2.567,350 4.046,351 2.824,352 5.599,353 3.549,354 2.628,355 3.653,356 0.379,357 7.693,358 2.414,359 3.641,360 2.722,361 5.355,362 3.196,363 2.26,364 3.046,366 6.821,367 2.107,368 3.487,369 2.407,370 5.069,371 2.991,372 2.067,373 2.666,375 5.978,376 1.907,377 3.366,378 2.305,379 4.669,380 2.697,381 1.753,382 2.428,384 4.957,385 1.65,386 3.159,387 1.885,388 4.573,389 2.513,390 1.568,391 2.243,393 4.403,394 1.48,395 2.99,396 1.699,397 3.637,398 2.343,399 1.368,400 1.991,402 2.969,403 1.335,404 2.832,405 1.475,406 3.57,407 2.312,408 1.357,409 1.974,411 2.774,412 1.289,413 2.668,414 1.383,415 3.483,416 2.168,417 1.182,418 1.738,420 2.587,421 1.164,422 2.644,423 1.219,424 3.394,425 2.068,426 1.154,427 1.704,428 2.429,429 1.053,430 1.999,431 1.181,432 3.367,433 1.465,434 0.522,435 0.762,436 1.39,437 0.491,438 1.907,439 0.55,440 2.921,441 1.175,442 0.272,443 0.396,445 0.438,446 0.246,447 1.295,448 0.215,449 2.51,450 0.94,456 0.941,457 0.144,458 2.447,459 0.521,460 -0.408,461 -0.513,463 -0.92,464 -0.373,465 12.533,466 0.464,467 0.516,468 0.019,469 43.75,470 1.62,471 24.5,472 0.907,473 19.25,474 0.713,475 15.751,476 0.583,477 27.067,478 0.66,479 31.526,480 1.168,481 8.708,482 0.323,483 4.534,484 0.168,485 0.059,487 0.311,493 1.054,494 1.425,495 0.688,496 0.994,497 0.775,498 0.809,499 0.579,500 0.86,501 0.783,502 0.991,503 0.519,504 0.947,505 1.171,506 1.31,507 0.956,508 1.068,509 0.995,510 0.984,511 0.948,512 0.955,513 0.933,514 0.88,515 0.727,516 0.891,517 1.296,518 1.124,519 0.996,520 0.832,521 0.808,522 0.833,523 0.825,524 0.943,525 0.92,526 0.864,527 0.587,528 0.889,529 1.044,530 0.933,531 1.103,532 1.013,533 0.887,534 1.048,535 0.79,536 1.079,537 1.124,538 1.277,539 0.702,540 1.275,541 4.5,542 0.07,543 2,544 2.167,545 1.117,546 0.827,547 0.536,548 0.411,549 0.236,550 0.162,551 8347,552 26701,553 2.142,554 34.1,556 10,558 1,559 3,564 1.708,565 2.051,566 3.276,567 1.018,569 1,573 67.298,574 1.641,575 3.735,576 4.559,577 5.193,578 5.309,579 5.309,580 2.732,581 4.533,582 4.721,583 3.415,584 1198.5,585 8.239,586 15118.2,588 1,590 1,591 219.66,592 1.218,593 4.706,594 0.15,595 0.006,596 0.049,597 0.053,598 0.028,599 0.02,600 0.013,601 0.011,602 0.008,603 0.007,604 0.344,605 0.33,606 1,607 0.983,608 131.988,609 -0.2,610 -0.305,611 0.016,612 -0.062,613 -0.106,614 0.004,615 0.292,616 0.253,617 0.001,618 -0.077,619 0.046,620 -0.108,621 -0.186,622 -0.297,623 -0.033,624 -0.126,625 -0.146,626 -0.063,627 0.083,628 0.078,629 0.033,630 0.027,631 0.023,632 0.018,633 -0.281,634 -0.06,635 -0.094,636 0.064,637 -0.06,638 0.036,639 0.073,640 0.102,641 -0.011,642 0.066,643 0.066,644 0.024,645 -0.176,646 0.083,647 -0.204,648 -0.042,649 -0.102,650 -0.103,651 0.06,652 -0.155,653 -0.144,654 -0.242,655 0.091,656 -0.234,657 1.522,658 3.701,659 0.778,660 24.368,661 1.019,662 1.133,663 2.817,664 7.934,665 0.702,666 3.434,667 3.738,668 4.025,669 4.357,670 4.605,671 4.718,672 4.898,673 5.075,674 5.124,675 5.182,676 5.927,677 0.694,678 358.4,679 3.434,680 4.963,681 5.814,682 6.698,683 7.575,684 8.474,685 9.363,686 10.27,687 11.168,688 12.079,689 19.5,694 1,697 2,698 1,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,724 2,728 1,731 41,733 23,734 2,735 30,737 44,738 18,739 16,740 4,741 8,746 4,747 5,760 1,761 16,762 1,778 1,781 14,782 8,783 3,784 9,787 1,790 8,794 0.75,795 1,811 1,812 3,815 1,822 1,840 3,848 27,853 1,854 1,855 2,861 1,866 1,868 1,870 2.4,872 1,877 13.167,878 7.4,879 6.028,880 2.239,881 4.413,882 1.579,883 0.999,884 4.628,885 12.032,886 3.784,887 4.398,888 5.021,889 5.686,890 6.265,891 6.613,892 7.114,893 7.622,894 7.944,895 8.338,896 0.857,897 41,898 9.849,900 4.162,901 7.895,902 18.333,904 14.606,905 2.395,906 64.667,909 1,910 129.482,911 115.878,912 136.122,914 42.683,917 115.878,918 172.165,919 136.122,921 2.106,922 75.81,923 156.209,924 66.388,925 5.942,926 117.711,928 129.482,929 252,930 42.683,933 129.482,934 42.683,937 69.535,938 97.313,939 85.153,941 129.482,942 178.805,943 115.878,946 129.482,947 14.848,948 86.328,949 52.623,950 140.885,951 129.482,952 178.805,953 115.878,955 0.566,956 0.326,957 0.191,958 0.11,959 20,960 8,961 0.114,962 5,963 1,964 1.095,965 3.877,966 237.46,967 0.095,968 21,969 128.382,974 16.923,975 7.384,976 3.558,977 1.56,978 176.906,979 15.685,980 17.244,984 1.943,985 1.749,986 78.705,987 424.166,988 43,999 41.793,1000 46.441,1001 0.306,1002 0.697,1003 0.851,1004 0.969,1005 0.991,1006 0.991,1007 5.001,1008 1.368,1009 5.778,1010 4.403,1011 4.419,1012 5.085,1013 2.601,1014 6.586,1015 4.296,1016 6.219,1017 1.357,1018 7.321,1019 2.969,1020 3.892,1021 4.808,1023 7.469,1024 3.676,1025 7.525,1026 1.182,1027 8.968,1028 2.774,1029 5.989,1030 7.333,1031 4.271,1032 10.631,1033 5.733,1034 8.868,1035 1.154,1036 10.681,1037 2.587,1038 6.33,1039 7.947,1041 12.442,1042 5.971,1043 10.244,1044 0.522,1045 12.44,1046 2.429,1047 7.867,1048 9.898,1049 6.039,1050 15.12,1051 7.471,1052 11.646,1053 0.272,1054 14.232,1055 1.39,1056 8.641,1057 10.969,1059 17.33,1060 8.143,1061 13.07,1063 16.05,1064 0.438,1065 9.944,1066 12.668,1067 7.818,1068 19.856,1069 9.401,1070 3.278,1071 -0.408,1072 17.889,1074 10.932,1075 13.974,1077 22.226,1078 10.293,1079 2.663,1080 11.765,1081 19.746,1082 -0.92,1083 12.144,1084 15.565,1085 9.599,1086 24.707,1087 11.449,1088 2.628,1089 8.059,1090 21.616,1091 4.631,1092 13.234,1093 16.986,1095 27.136,1096 12.449,1097 2.26,1098 7.693,1099 23.499,1100 3.679,1101 14.416,1102 18.533,1103 11.38,1104 29.605,1105 13.566,1106 2.067,1107 6.821,1108 25.391,1109 3.653,1110 15.553,1111 20.01,1113 32.056,1114 14.62,1115 1.753,1116 5.978,1117 27.291,1118 3.046,1119 16.728,1120 21.543,1121 13.161,1122 34.522,1123 15.725,1124 1.568,1125 4.957,1126 29.198,1127 2.666,1128 17.888,1129 23.046,1131 36.982,1132 16.804,1133 8011,1134 14461,1135 20.572,1136 28.784,1137 45.695,1138 47.239,1139 45.752,1140 44.174,1141 44.145,1142 61.821,1143 6.431,1144 124.526,1145 41.491,1146 5.482,1147 6.043,1148 6.804,1149 5.305,1150 5.278,1151 7.631,1152 4.873,1153 18.956,1154 5.045,1155 9.878,1156 1.523,1157 1.575,1158 1.525,1159 1.472,1160 1.471,1161 2.061,1162 0.214,1163 4.151,1164 1.383,1165 4.135,1166 4.182,1167 4.114,1168 3.997,1169 6.818,1170 4.018,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 6.471,1176 3.806,1177 3.774,1178 3.843,1179 3.739,1180 3.542,1181 5.155,1182 3.586,1183 3.49,1184 3.56,1185 3.415,1186 3.292,1187 4.946,1188 3.315,1189 3.355,1190 3.42,1191 3.288,1192 3.154,1193 4.645,1194 3.183,1195 2.982,1196 3.037,1197 2.896,1198 2.792,1199 4.334,1200 2.803,1201 2.922,1202 2.978,1203 2.823,1204 2.772,1205 4.148,1206 2.772,1207 2.897,1208 2.959,1209 2.762,1210 2.745,1211 3.953,1212 2.742,1213 0.156,1214 0.135,1215 0.231,1216 0.14,1217 0.109,1218 4.694,1219 0.154,1220 4.043,1221 0.081,1222 6.941,1223 0.392,1224 4.205,1225 0.101,1226 3.278,1227 4.631,1228 2.436,1229 11.765,1230 3.045,1231 1.923,1232 1.893,1233 2.012,1234 2.058,1235 1.119,1236 2.036,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.682,1244 1.617,1245 1.766,1246 1.915,1247 0.778,1248 1.886,1249 1.442,1250 1.373,1251 1.588,1252 1.688,1253 0.617,1254 1.664,1255 1.277,1256 1.21,1257 1.387,1258 1.537,1259 0.338,1260 1.5,1261 0.951,1262 0.898,1263 1.157,1264 1.167,1265 0.214,1266 1.149,1267 0.899,1268 0.848,1269 1.125,1270 1.13,1271 0.183,1272 1.129,1273 0.883,1274 0.832,1275 1.101,1276 1.085,1277 0.135,1278 1.104,1279 4.111,1281 5.416,1282 2.398,1283 6.923,1284 4.844,1285 8.525,1286 7.05,1287 10.18,1294 9.701,1295 0.086,1296 5.993,1303 8.724,1304 1.983,1305 28.466,1306 67.298,1307 153.13,1308 186.905,1309 212.905,1310 217.66,1311 217.66,1312 34.54,1313 7.619,1314 124.57,1315 124.57,1316 23,1317 12.596,1318 4.585,1319 3.807,1320 39.865,1321 90,1322 121,1323 0.208,1324 177.081,1325 292.03,1326 423.837,1327 20974,1329 18.64,1330 0.69,1331 0.52,1332 18.64,1333 14.034,1334 13.242,1335 0.441,1336 0.269,1337 7.938,1338 12.657,1339 7.828,1340 6.5,1341 13.242,1342 8.082,1343 11.59,1344 0.283,1345 0.136,1346 11.59,1347 5.556,1348 9.627,1349 0.175,1350 0.068,1351 9.627,1352 3.748,1353 8.558,1354 0.111,1355 0.034,1356 8.558,1357 2.624,1358 7.075,1359 0.071,1360 0.017,1361 7.075,1362 1.73,1363 0.318,1364 83.467,1365 0.22,1366 25.554,1367 0.6,1368 142,1369 454.686,1370 159.757,1371 449.456,1372 620.89,1373 420,1374 167,1375 470.171,1376 184.703,1377 475.053,1378 693.48,1379 447,1380 6.476}
{0 CHEMBL1615183,1 1.561,2 7.304,3 2.57,4 6.603,5 84.783,6 8.538,7 0.808,8 3.755,9 3.9,10 3.44,11 3.21,12 4.988,13 3.253,14 4.208,15 4.387,16 3.82,17 3.568,18 5.47,19 3.593,20 4.324,21 4.541,22 3.74,23 3.572,24 5.449,25 3.592,26 4.294,27 4.493,28 3.787,29 3.58,30 5.499,31 3.591,32 4.347,33 4.562,34 3.769,35 3.601,36 5.514,37 3.624,38 4.385,39 4.597,40 3.797,41 3.68,42 5.583,43 3.668,44 4.394,45 4.618,46 3.566,47 3.617,48 5.53,49 3.563,50 4.292,51 4.56,52 3.182,53 3.395,54 5.323,55 3.272,56 0.123,57 0.669,58 5.841,59 2.134,60 9.32,61 2.752,62 0.327,63 0.984,64 10.572,65 3.969,66 20.949,67 5.267,68 0.339,69 1.011,70 13.638,71 3.367,72 24.551,73 4.814,74 0.353,75 1.011,76 12.273,77 4.089,78 21.278,79 5.591,80 0.383,81 1.043,82 13.743,83 3.231,84 26.234,85 4.513,86 0.354,87 1.076,88 14.461,89 4.816,90 27.745,91 6.693,92 0.352,93 1.003,94 14.75,95 4.584,96 29.063,97 6.352,98 0.314,99 0.782,100 15.861,101 5.049,102 30.828,103 7.487,104 5,105 37,106 0.277,107 0.672,108 0.808,109 0.875,110 0.885,111 0.885,112 3.19,113 0.8,114 -4.83,115 -4.74,116 -4.45,119 38.9,120 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,162 1,163 1,164 1,165 1,168 1,172 3,174 6,175 5,177 2,178 5,180 2,183 2,187 4,191 1,195 1,198 5,199 8,201 2,202 4,204 3,209 1,212 4,215 2,217 2,223 3,224 8,226 1,227 2,228 1,229 2,231 1,232 3,234 1,237 4,240 2,242 4,245 4,247 2,249 1,250 3,252 1,253 1,255 4,258 2,260 2,266 1,267 1,268 1,270 1,275 752,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.223,282 19.355,283 9.361,284 16.261,285 12.909,286 12.909,287 12.909,288 12.909,289 12.909,290 9.173,291 30.609,292 4.517,293 13.8,294 3.609,295 1.385,296 0.621,297 0.243,298 0.188,299 0.188,300 3.887,303 1,304 1,305 1,306 369,307 2.236,310 94.981,311 117.017,314 84.741,318 1.1,319 17.868,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 50.5,331 168,332 4.697,333 3.375,334 6.943,335 4.209,336 3.282,337 4.633,338 0.4,339 11.776,340 3.046,341 4.124,342 2.807,343 5.854,344 3.619,345 2.7,346 3.798,348 8.163,349 2.483,350 3.941,351 2.672,352 5.556,353 3.503,354 2.558,355 3.498,357 7.486,358 2.412,359 3.611,360 2.307,361 5.286,362 3.143,363 2.204,364 3.047,366 6.59,367 2.065,368 3.262,369 2.084,370 4.933,371 2.798,372 1.879,373 2.565,375 5.507,376 1.728,377 3.232,378 1.965,379 4.618,380 2.784,381 1.863,382 2.481,384 4.963,385 1.71,386 2.93,387 1.474,388 4.526,389 2.407,390 1.455,391 2.128,393 4.258,394 1.383,395 2.859,396 1.407,397 3.643,398 2.368,399 1.386,400 2.023,402 2.994,403 1.358,404 2.557,405 1.175,406 3.514,407 2.056,408 1.12,409 1.581,411 2.52,412 1.045,413 2.118,414 0.618,415 3.327,416 1.604,417 0.618,418 0.927,420 1.401,421 0.609,422 1.996,423 0.552,424 3,425 1.466,426 0.522,427 0.762,428 1.372,429 0.492,430 1.177,431 0.016,432 2.775,433 0.799,434 -0.124,435 -0.157,436 -0.353,437 -0.114,438 1,439 -0.127,440 2.546,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.876,448 -0.265,449 2.382,450 0.449,451 -0.469,452 -0.587,454 -1.189,455 -0.43,456 0.632,457 -0.589,458 2.249,459 0.186,460 -0.76,461 -0.952,463 -1.947,464 -0.715,465 10.6,466 0.461,467 0.554,468 0.024,469 36,470 1.565,471 19,472 0.826,473 17,474 0.739,475 13.823,476 0.601,477 23.6,478 0.656,479 24.388,480 1.06,481 7.179,482 0.312,483 4.025,484 0.175,485 0.085,487 0.368,493 1.082,494 1.479,495 0.698,496 1.015,497 1.145,498 0.815,499 0.476,500 0.928,501 0.644,502 0.963,503 0.442,504 0.863,505 1.467,506 1.209,507 1.012,508 0.854,509 1.255,510 0.835,511 0.754,512 1.046,513 0.854,514 1.061,515 0.591,516 0.995,517 1.571,518 1.087,519 1.087,520 0.766,521 1.409,522 0.809,523 0.823,524 0.981,525 0.865,526 0.977,527 0.714,528 0.939,529 1.222,530 1.072,531 1.32,532 1.204,533 1.316,534 1.269,535 0.843,536 0.988,537 1.203,538 1.284,539 1.056,540 1.317,541 4.5,543 1.778,544 2.201,545 0.961,546 0.816,547 0.548,548 0.28,549 0.143,550 0.056,551 5286,552 15454,553 2.168,554 36.1,556 5,557 1,559 4,560 3,564 1.667,565 2.06,566 2.902,567 1.951,568 1,569 1,571 1,573 56.179,574 1.561,575 3.785,576 4.549,577 4.927,578 4.982,579 4.982,580 2.248,581 3.969,582 4.495,583 3.056,584 773.217,585 7.79,586 8662.14,587 1,588 1,590 1,591 186.117,592 1.302,593 4.469,594 0.173,596 0.048,597 0.065,598 0.027,599 0.023,600 0.015,601 0.01,602 0.008,603 0.009,604 0.38,605 0.17,606 1,607 0.503,608 104.682,609 -0.177,610 -0.287,611 0.033,612 -0.062,613 -0.296,614 0.016,615 0.499,616 0.198,617 0.181,618 -0.017,619 0.378,620 0.006,621 -0.388,622 -0.166,623 -0.099,624 0.044,625 -0.341,626 0.039,627 0.255,628 0.029,629 0.02,630 -0.129,631 0.277,632 -0.111,633 -0.446,634 -0.02,635 -0.188,636 0.106,637 -0.373,638 0.033,639 0.101,640 0.047,641 0.045,642 0.009,643 0.234,644 0.014,645 -0.283,646 -0.073,647 -0.391,648 -0.23,649 -0.297,650 -0.316,651 0.008,652 -0.137,653 -0.137,654 -0.233,655 -0.032,656 -0.22,657 1.504,658 1.762,659 0.87,660 16.578,661 1.019,662 1.148,663 3.601,664 12.967,665 0.683,666 3.296,667 3.638,668 3.932,669 4.29,670 4.477,671 4.644,672 4.796,673 4.949,674 4.927,675 4.913,676 4.913,677 0.674,678 307.36,679 3.296,680 4.844,681 5.707,682 6.608,683 7.493,684 8.404,685 9.3,686 10.217,687 11.119,688 12.039,689 25,693 1,697 3,699 5,702 1,703 2,704 6,705 5,706 1,709 5,710 1,711 21,722 1,724 1,731 36,733 21,734 1,735 26,737 39,738 14,739 13,740 2,741 4,746 4,747 5,752 1,761 13,762 1,777 1,778 1,781 13,782 7,783 4,784 9,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,840 3,844 1,848 23,849 1,855 1,877 11.167,878 6.783,879 4.944,880 1.949,881 3.893,882 1.537,883 1.057,884 3.261,885 11.138,886 3.624,887 4.304,888 4.951,889 5.64,890 6.136,891 6.561,892 7.057,893 7.555,894 7.828,895 8.179,896 0.8,897 34,898 8.383,900 3.564,901 7.746,902 15.731,904 12.638,905 2.246,906 51.667,910 105.94,911 79.895,912 153.275,917 79.895,918 105.94,919 153.275,920 8.825,922 89.326,923 83.805,924 42.944,925 20.041,926 94.169,928 105.94,929 233.17,933 108.268,937 53.239,938 93.798,939 83.805,941 105.94,942 153.275,943 79.895,946 105.94,947 14.641,948 67.153,949 34.674,950 116.702,951 105.94,952 153.275,953 79.895,955 0.581,956 0.335,957 0.201,958 0.105,959 20,960 8,961 0.077,962 3,963 1,964 1.1,965 3.504,966 196.37,967 0.1,968 20,969 104.042,974 13.818,975 5.427,976 2.544,977 1.665,978 134.713,979 11.227,980 21.274,981 2.75,984 2.289,985 1.787,986 67.571,987 339.11,988 36.5,999 36.683,1000 41.315,1001 0.302,1002 0.732,1003 0.88,1004 0.953,1005 0.964,1006 0.964,1007 4.846,1008 1.386,1009 5.694,1010 4.258,1011 4.317,1012 4.99,1013 0.278,1014 6.526,1015 4.183,1016 6.08,1017 1.12,1018 7.253,1019 2.994,1020 3.892,1021 4.808,1023 7.438,1024 3.664,1025 7.399,1026 0.618,1027 8.914,1028 2.52,1029 5.916,1030 7.279,1031 0.05,1032 10.603,1033 5.635,1034 8.758,1035 0.522,1036 10.637,1037 1.401,1038 6.33,1039 7.966,1041 12.425,1042 5.951,1043 10.15,1044 -0.124,1045 12.404,1046 1.372,1047 7.819,1048 9.868,1049 0.008,1050 15.111,1051 7.386,1052 11.567,1053 -0.347,1054 14.202,1055 -0.353,1056 8.638,1057 10.988,1059 17.325,1060 8.112,1061 13.005,1062 -0.469,1063 16.025,1064 -0.891,1065 9.918,1066 12.656,1067 0.001,1068 19.858,1069 9.332,1070 3.282,1071 -0.76,1072 17.869,1073 -1.189,1074 10.932,1075 13.99,1077 22.23,1078 10.258,1079 2.7,1080 11.776,1081 19.729,1082 -1.947,1083 12.135,1084 15.564,1086 24.714,1087 11.396,1088 2.558,1089 8.163,1090 21.603,1091 4.633,1092 13.238,1093 17.001,1095 27.145,1096 12.417,1097 2.204,1098 7.486,1099 23.489,1100 3.798,1101 14.419,1102 18.54,1104 29.616,1105 13.527,1106 1.879,1107 6.59,1108 25.384,1109 3.498,1110 15.563,1111 20.025,1113 32.068,1114 14.592,1115 1.863,1116 5.507,1117 27.287,1118 3.047,1119 16.739,1120 21.553,1122 34.535,1123 15.696,1124 1.455,1125 4.963,1126 29.196,1127 2.565,1128 17.903,1129 23.061,1131 36.996,1132 16.784,1133 5007,1134 8712,1135 17.8,1136 24.574,1137 39.769,1138 38.944,1139 39.784,1140 39.269,1141 39.174,1142 54.886,1143 0.8,1144 114.06,1145 36.666,1146 5.493,1147 5.375,1148 6.624,1149 5.309,1150 5.282,1151 7.633,1152 0.8,1153 18.981,1154 5.046,1155 8.319,1156 1.53,1157 1.498,1158 1.53,1159 1.51,1160 1.507,1161 2.111,1162 0.031,1163 4.387,1164 1.41,1165 4.135,1166 4.184,1167 4.115,1168 3.993,1169 5.271,1170 4.015,1171 3.863,1172 3.935,1173 3.81,1174 3.657,1175 5.073,1176 3.685,1177 3.783,1178 3.847,1179 3.749,1180 3.564,1181 4.961,1182 3.605,1183 3.384,1184 3.451,1185 3.308,1186 3.197,1187 4.687,1188 3.218,1189 3.166,1190 3.275,1191 2.99,1192 2.915,1193 4.344,1194 2.92,1195 2.95,1196 3.035,1197 2.854,1198 2.782,1199 4.018,1200 2.784,1201 2.806,1202 2.906,1203 2.676,1204 2.524,1205 3.769,1206 2.551,1207 2.735,1208 2.838,1209 2.591,1210 2.476,1211 3.709,1212 2.502,1213 0.181,1214 0.13,1215 0.267,1216 0.162,1217 0.126,1218 4.697,1219 0.178,1220 3.375,1221 0.015,1222 6.943,1223 0.453,1224 4.209,1225 0.117,1226 3.282,1227 4.633,1228 0.4,1229 11.776,1230 3.046,1231 1.923,1232 1.893,1233 2.012,1234 2.056,1235 1.119,1236 2.034,1237 1.711,1238 1.648,1239 1.811,1240 1.929,1241 0.8,1242 1.905,1243 1.52,1244 1.466,1245 1.663,1246 1.746,1247 0.707,1248 1.711,1249 1.364,1250 1.282,1251 1.528,1252 1.687,1253 0.549,1254 1.652,1255 1.188,1256 1.097,1257 1.423,1258 1.458,1259 0.278,1260 1.472,1261 1.094,1262 1,1263 1.27,1264 1.412,1265 0.201,1266 1.382,1267 0.951,1268 0.893,1269 1.131,1270 1.164,1271 0.143,1272 1.158,1273 0.749,1274 0.676,1275 1.013,1276 0.988,1278 1.003,1279 3.97,1281 5.303,1282 3.045,1283 6.821,1284 5.352,1285 8.432,1286 7.424,1287 10.097,1289 1.765,1293 5.762,1296 3.148,1305 24.246,1306 56.179,1307 136.243,1308 163.753,1309 177.362,1310 179.362,1311 179.362,1312 22.311,1313 7.246,1314 123.22,1315 123.22,1316 22,1317 12.551,1318 4.459,1319 3.524,1320 31.482,1321 64,1322 64,1323 0.235,1324 150.292,1325 232.96,1326 358.472,1327 12471,1329 15.811,1330 0.687,1331 0.532,1332 15.811,1333 12.225,1334 11.204,1335 0.431,1336 0.267,1337 6.793,1338 10.625,1339 6.669,1340 5.551,1341 11.204,1342 6.934,1343 10.345,1344 0.28,1345 0.132,1346 10.345,1347 4.885,1348 8.482,1349 0.17,1350 0.065,1351 8.482,1352 3.254,1353 7.917,1354 0.11,1355 0.033,1356 7.917,1357 2.345,1358 5.828,1359 0.067,1360 0.016,1361 5.828,1362 1.413,1363 0.35,1364 71.005,1365 0.237,1366 21.949,1367 0.707,1368 126,1369 385.849,1370 144.095,1371 380.937,1372 541.55,1373 358,1374 150,1375 431.761,1376 167.957,1377 432.275,1378 635.59,1379 408,1380 6.098}
{0 CHEMBL1615188,1 1.822,2 9.19,3 2.807,4 7.879,5 86.003,6 9.589,7 0.696,8 3.621,9 3.715,10 3.508,11 3.313,12 4.811,13 3.244,14 4.083,15 4.219,16 3.9,17 3.638,18 5.299,19 3.56,20 4.16,21 4.304,22 3.793,23 3.668,24 5.358,25 3.579,26 4.16,27 4.331,28 3.775,29 3.652,30 5.317,31 3.532,32 4.082,33 4.239,34 3.614,35 3.58,36 5.176,37 3.447,38 4.065,39 4.255,40 3.509,41 3.501,42 5.137,43 3.347,44 3.914,45 4.093,46 3.472,47 3.318,48 5.062,49 3.159,50 3.806,51 4.061,52 3.075,53 3.015,54 4.789,55 2.858,56 0.044,57 0.518,58 4.464,59 2.889,60 4.571,61 3.016,62 0.214,63 0.87,64 14.533,65 5.377,66 15.185,67 5.531,68 0.226,69 0.874,70 12.559,71 5.424,72 28.884,73 4.958,74 0.245,75 0.89,76 14.185,77 5.735,78 23.377,79 5.626,80 0.151,81 0.817,82 15.499,83 5.964,84 12.606,85 5.854,86 0.149,87 0.768,88 14.647,89 6.031,90 15.194,91 6.57,92 0.171,93 0.664,94 14.896,95 5.37,96 20.075,97 5.138,98 0.173,99 0.579,100 11.702,101 4.339,102 19.699,103 5.139,104 15,105 32,106 0.334,107 0.703,108 0.827,109 0.871,110 0.871,111 0.871,112 3.103,113 1.076,114 -3.6,115 -3.57,116 -3.4,119 42.4,120 1,124 1,142 4,143 1,145 1,146 2,150 1,152 1,158 1,162 1,172 3,174 1,175 8,178 2,180 2,183 4,187 4,195 5,198 1,199 5,204 2,207 5,212 3,217 2,220 3,223 1,224 4,232 3,237 3,240 1,242 1,245 3,249 1,250 1,262 1,263 2,266 1,268 1,271 1,275 521,276 14.196,277 14.196,278 14.196,279 14.196,280 14.196,281 12.219,282 9.168,283 8.376,284 14.886,285 11.336,286 11.336,287 11.336,288 11.336,289 11.336,290 8.26,291 11.115,292 3.95,293 12.367,294 3.222,295 1.208,296 0.531,297 0.288,298 0.288,299 0.288,300 3.784,303 1,304 1,305 1,306 410,307 2.828,310 44.827,311 115.766,314 80.006,318 1.551,319 16.734,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 45,331 193,332 4.516,333 4.328,334 6.343,335 4.004,336 3.064,337 4.453,338 2.95,339 9.8,340 2.904,341 4.183,342 3.536,343 6.072,344 3.721,345 2.797,346 3.815,347 1.907,348 8.899,349 2.576,350 3.736,351 3.05,352 5.307,353 3.319,354 2.39,355 3.147,356 0.149,357 6.82,358 2.255,359 3.578,360 2.752,361 5.226,362 3.157,363 2.234,364 2.843,366 6.475,367 2.004,368 3.189,369 2.455,370 4.466,371 2.685,372 1.745,373 2.398,375 4.44,376 1.596,377 3.022,378 2.106,379 4.381,380 2.457,381 1.529,382 2.273,384 4.383,385 1.401,386 2.877,387 1.579,388 4.228,389 2.379,390 1.43,391 2.033,393 3.772,394 1.339,395 2.593,396 1.514,397 3.484,398 2.037,399 1.103,400 1.637,402 2.542,403 1.026,404 1.903,405 1.116,406 3.163,407 1.315,408 0.435,409 0.613,411 1.084,412 0.367,413 1.583,414 0.589,415 2.725,416 1.202,417 0.404,418 0.479,420 0.621,421 0.324,422 1.106,423 0.48,424 2.62,425 0.692,426 -0.23,427 -0.277,428 -0.631,429 -0.208,430 0.87,431 0.405,432 2.506,433 0.422,434 -0.531,435 -0.709,436 -1.313,437 -0.5,438 0.632,439 -0.019,440 2.202,441 0.117,442 -0.777,443 -0.998,445 -1.873,446 -0.66,447 0.586,448 -0.518,449 1.788,450 0.091,451 -0.887,452 -1.238,454 -2,455 -0.823,456 0.5,457 -0.836,458 1.66,459 0.054,460 -1,461 -1.413,463 -2.572,464 -0.929,465 10.6,466 0.505,467 0.52,468 0.025,469 30.25,470 1.44,471 16.5,472 0.786,473 13.75,474 0.655,475 14.922,476 0.711,477 21.2,478 0.642,479 18.268,480 0.87,481 5.523,482 0.263,483 4.629,484 0.22,485 0.126,487 0.33,493 0.749,494 1.13,495 0.689,496 0.789,497 0.615,498 0.782,499 0.532,500 1.139,501 0.942,502 1.099,503 0.519,504 0.824,505 1.49,506 1.003,507 1.005,508 0.833,509 1.454,510 0.877,511 0.938,512 0.892,513 1.02,514 0.916,515 0.706,516 0.938,517 0.912,518 1.146,519 1.303,520 1.275,521 0.737,522 1.172,523 0.698,524 0.992,525 1.035,526 1.078,527 0.581,528 1.101,529 1.073,530 1.082,531 0.941,532 1.064,533 1.331,534 1.163,535 0.814,536 0.91,537 0.665,538 0.772,539 0.847,540 0.918,541 5,542 0.07,543 1.778,544 1.479,545 0.916,546 0.775,547 0.354,548 0.256,549 0.163,550 0.09,551 4306,552 14638,553 2.074,554 36.4,556 7,558 1,559 1,560 3,564 1.63,565 1.938,566 3.208,567 -0.197,569 1,571 1,573 60.142,574 1.822,575 3.836,576 4.514,577 4.756,578 4.756,579 4.756,580 2.725,581 3.88,582 4.359,583 3.329,584 699.096,585 7.464,586 7351.63,587 1,588 1,589 1,590 1,591 166.465,592 1.418,593 4.322,594 0.217,595 0.01,596 0.056,597 0.049,598 0.034,599 0.032,600 0.017,601 0.015,602 0.014,603 0.009,604 0.453,605 0.5,606 1,607 1.142,608 94.896,609 -0.078,610 -0.113,611 0.05,612 0.047,613 -0.092,614 0.025,615 0.303,616 -0.09,617 0.079,618 -0.087,619 0.158,620 0.082,621 -0.374,622 0.019,623 -0.145,624 0.063,625 -0.274,626 -0.021,627 -0.078,628 0.147,629 -0.069,630 0.038,631 -0.015,632 -0.022,633 -0.143,634 -0.147,635 -0.259,636 -0.239,637 -0.08,638 -0.215,639 0.04,640 -0.067,641 -0.051,642 -0.085,643 0.1,644 -0.083,645 -0.031,646 -0.153,647 0.057,648 -0.067,649 -0.137,650 -0.176,651 0.116,652 -0.022,653 0.245,654 0.134,655 0.018,656 0.153,657 1.783,658 4.085,659 0.714,660 17.401,661 1.013,662 1.112,663 2.367,664 5.603,665 0.752,666 3.178,667 3.497,668 3.738,669 4.025,670 4.234,671 4.331,672 4.489,673 4.564,674 4.595,675 4.635,676 5.439,677 0.706,678 316.44,679 3.178,680 4.71,681 5.549,682 6.428,683 7.29,684 8.175,685 9.047,686 9.934,687 10.812,688 11.701,689 12.1,696 1,699 3,703 2,704 5,705 3,708 1,709 4,711 16,731 33,733 17,734 1,735 23,737 35,738 14,739 11,740 3,741 3,746 3,747 4,752 1,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 12,782 5,783 1,784 7,785 2,790 4,794 0.667,795 1,806 1,811 1,812 2,815 1,826 1,840 2,841 1,842 2,844 2,848 21,855 1,857 1,863 1,870 3,873 1,877 10.833,878 6.767,879 4.639,880 1.789,881 3.216,882 1.467,883 1.002,884 4.064,885 10.1,886 3.497,887 4.139,888 4.742,889 5.403,890 5.961,891 6.343,892 6.856,893 7.29,894 7.569,895 7.944,896 1,897 30,898 7.7,900 3.208,901 7.778,902 14.591,904 11.642,905 2.278,906 47.833,910 129.482,911 141.196,912 68.367,914 25.145,916 63.497,917 77.699,918 154.627,919 68.367,920 16.016,921 18.011,922 37.905,923 91.977,924 17.635,925 1.439,926 181.208,928 129.482,929 146.066,930 25.145,931 63.497,933 129.482,934 25.145,937 41.978,938 53.731,939 50.357,940 63.497,941 129.482,942 93.512,943 141.196,946 129.482,947 78.228,948 62.968,949 18.011,950 75.502,951 129.482,952 93.512,953 141.196,955 0.576,956 0.323,957 0.179,958 0.099,959 16,960 7,961 0.086,962 3,963 1,964 1.133,965 3.357,966 159.99,967 0.133,968 15,969 92.239,970 2,974 14.27,975 5.981,976 3.158,977 1.882,978 93.512,979 9.592,980 13.038,983 1.453,984 3.252,986 18.011,987 364.19,988 32,993 11.085,997 -0.116,999 33.422,1000 36.703,1001 0.361,1002 0.76,1003 0.895,1004 0.943,1005 0.943,1006 0.943,1007 4.71,1008 1.103,1009 5.533,1010 3.772,1011 4.174,1012 4.824,1013 3.197,1014 6.323,1015 4.023,1016 5.935,1017 0.435,1018 7.074,1019 2.542,1020 3.761,1021 4.677,1022 1.593,1023 7.14,1024 3.563,1025 7.248,1026 0.404,1027 8.708,1028 1.084,1029 5.746,1030 7.086,1031 5.134,1032 10.211,1033 5.464,1034 8.596,1035 -0.23,1036 10.394,1037 0.621,1038 6.111,1039 7.748,1040 3.032,1041 11.833,1042 5.772,1043 9.972,1044 -0.531,1045 12.115,1046 -0.631,1047 7.584,1048 9.64,1049 7.226,1050 14.404,1051 7.187,1052 11.369,1053 -0.777,1054 13.86,1055 -1.313,1056 8.323,1057 10.709,1058 4.409,1059 16.38,1060 7.863,1061 12.783,1062 -0.887,1063 15.622,1064 -1.873,1065 9.577,1066 12.373,1067 9.364,1068 18.762,1069 9.069,1070 3.064,1071 -1,1072 17.397,1073 -2,1074 10.501,1075 13.65,1076 5.75,1077 20.896,1078 9.93,1079 2.797,1080 9.8,1081 19.183,1082 -2.572,1083 11.661,1084 15.211,1085 11.518,1086 23.203,1087 11.044,1088 2.39,1089 8.899,1090 20.978,1091 4.453,1092 12.675,1093 16.593,1094 7.068,1095 25.409,1096 11.998,1097 2.234,1098 6.82,1099 22.779,1100 3.815,1101 13.797,1102 18.108,1103 13.678,1104 27.688,1105 13.072,1106 1.745,1107 6.475,1108 24.586,1109 3.147,1110 14.856,1111 19.542,1112 8.374,1113 29.926,1114 14.074,1115 1.529,1116 4.44,1117 26.398,1118 2.843,1119 15.963,1120 21.038,1121 15.84,1122 32.196,1123 15.134,1124 1.43,1125 4.383,1126 28.213,1127 2.398,1128 17.045,1129 22.498,1130 9.674,1131 34.45,1132 16.161,1133 4259,1134 7968,1135 15.315,1136 24.818,1137 34.537,1138 37.656,1139 35.251,1140 34.115,1141 34.263,1142 47.385,1143 10.012,1144 97.671,1145 31.585,1146 5.252,1147 6.328,1148 5.932,1149 5.125,1150 5.064,1151 7.453,1152 5.9,1153 16.299,1154 4.904,1155 10.159,1156 1.502,1157 1.637,1158 1.533,1159 1.483,1160 1.49,1161 2.06,1162 0.435,1163 4.247,1164 1.373,1165 4.079,1166 4.096,1167 4.324,1168 4.062,1169 7.43,1170 4.024,1171 3.791,1172 3.831,1173 3.972,1174 3.69,1175 5.027,1176 3.674,1177 3.567,1178 3.613,1179 3.596,1180 3.375,1181 4.894,1182 3.375,1183 3.263,1184 3.308,1185 3.43,1186 3.223,1187 4.299,1188 3.146,1189 3.169,1190 3.234,1191 3.282,1192 3.108,1193 3.938,1194 3.023,1195 2.888,1196 2.941,1197 2.871,1198 2.79,1199 3.904,1200 2.773,1201 2.702,1202 2.804,1203 2.538,1204 2.462,1205 3.776,1206 2.465,1207 2.654,1208 2.733,1209 2.49,1210 2.454,1211 3.683,1212 2.453,1213 0.196,1214 0.188,1215 0.276,1216 0.174,1217 0.133,1218 4.516,1219 0.194,1220 4.328,1221 0.128,1222 6.343,1223 0.426,1224 4.004,1225 0.126,1226 3.064,1227 4.453,1228 2.95,1229 9.8,1230 2.904,1231 1.952,1232 1.935,1233 2.006,1234 2.026,1235 1.159,1236 2.029,1237 1.658,1238 1.623,1239 1.736,1240 1.809,1241 0.781,1242 1.797,1243 1.525,1244 1.482,1245 1.719,1246 1.766,1247 0.738,1248 1.76,1249 1.227,1250 1.172,1251 1.518,1252 1.406,1253 0.639,1254 1.488,1255 1.193,1256 1.165,1257 1.25,1258 1.348,1259 0.432,1260 1.38,1261 0.898,1262 0.865,1263 1.074,1264 1.01,1265 0.13,1266 1.045,1267 0.774,1268 0.699,1269 0.959,1270 0.998,1271 0.097,1272 1.013,1273 0.615,1274 0.544,1275 0.74,1276 0.832,1278 0.842,1279 3.85,1281 5.165,1282 2.398,1283 6.666,1284 4.727,1285 8.253,1286 6.823,1287 9.888,1289 3.424,1296 2.711,1298 1.513,1305 23.282,1306 60.142,1307 126.591,1308 148.955,1309 156.955,1310 156.955,1311 156.955,1312 26.379,1313 6.884,1314 67.77,1315 121.31,1316 17,1317 12.233,1318 4.17,1319 3.322,1320 32.251,1321 69,1322 63,1323 0.24,1324 152.899,1325 249.67,1326 364.834,1327 7916,1329 14.82,1330 0.706,1331 0.623,1332 15.527,1333 13.086,1334 10.152,1335 0.441,1336 0.359,1337 6.313,1338 8.882,1339 5.895,1340 4.925,1341 11.118,1342 8.252,1343 9.261,1344 0.289,1345 0.191,1346 10.423,1347 6.115,1348 7.325,1349 0.179,1350 0.104,1351 8.533,1352 4.279,1353 6.333,1354 0.115,1355 0.058,1356 7.64,1357 3.195,1358 4.998,1359 0.074,1360 0.031,1361 6.074,1362 2.118,1363 0.371,1364 72.829,1365 0.256,1366 20.788,1367 0.667,1368 110,1369 348.725,1370 166.997,1371 382.017,1372 521.52,1373 358,1374 128,1375 355.446,1376 172.343,1377 388.436,1378 566.61,1379 363,1380 7.276}
{0 CHEMBL1615189,1 2.059,2 12.871,3 3.983,4 15.863,5 119.397,6 10.599,7 0.647,8 3.951,9 4.02,10 3.96,11 3.635,12 5.184,13 3.597,14 4.442,15 4.536,16 4.338,17 4.004,18 5.95,19 3.964,20 4.651,21 4.774,22 4.359,23 4.107,24 6.039,25 4.039,26 4.676,27 4.817,28 4.364,29 4.069,30 6.045,31 3.982,32 4.602,33 4.744,34 4.296,35 3.965,36 6.052,37 3.916,38 4.494,39 4.625,40 4.229,41 3.949,42 6.058,43 3.885,44 4.501,45 4.641,46 4.137,47 3.907,48 5.862,49 3.829,50 4.419,51 4.577,52 4.107,53 3.803,54 5.743,55 3.701,56 0.19,57 0.749,58 5.184,59 4.092,60 26.626,61 3.377,62 0.516,63 1.19,64 10.192,65 6.694,66 62.299,67 6.264,68 0.701,69 1.439,70 18.446,71 9.458,72 89.776,73 7.532,74 0.757,75 1.393,76 29.702,77 10.586,78 100.608,79 8.849,80 0.819,81 1.262,82 23.115,83 9.094,84 116.813,85 7.367,86 0.678,87 1.197,88 15.86,89 7.895,90 98.418,91 7.622,92 0.627,93 1.108,94 21.06,95 8.079,96 77.708,97 7.273,98 0.599,99 1.025,100 26.742,101 8.48,102 79.779,103 7.488,104 39,105 50,106 0.346,107 0.679,108 0.793,109 0.867,110 0.867,111 0.867,112 3.472,113 1.016,114 -3.75,115 -3.71,116 -3.53,119 44.4,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 7,174 1,175 5,178 4,180 3,183 8,187 8,190 1,192 4,195 9,198 1,199 11,204 5,207 5,211 2,212 6,217 4,220 4,224 8,229 2,232 10,236 1,237 8,242 2,245 9,250 3,253 2,258 8,263 4,267 1,271 7,275 1630,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.438,283 11.606,284 20.907,285 16.792,286 16.792,287 16.792,288 16.792,289 16.792,290 12.09,291 13.437,292 5.564,293 18.052,294 3.433,295 1.451,296 0.772,297 0.328,298 0.328,299 0.328,300 4.161,302 1,304 1,305 1,306 857,307 3.937,310 76.491,311 297.329,314 133.384,318 1.948,319 50.305,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.833,331 399,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 1.907,339 12.528,340 3.1,341 4.518,342 3.536,343 6.354,344 4.015,345 3.068,346 4.454,347 0.149,348 9.826,349 2.93,350 4.262,351 3.188,352 6.155,353 3.786,354 2.86,355 3.939,357 9.118,358 2.632,359 3.887,360 3.024,361 5.877,362 3.466,363 2.536,364 3.404,366 8.09,367 2.341,368 3.817,369 2.873,370 5.255,371 3.33,372 2.385,373 3.315,375 6.597,376 2.254,377 3.623,378 2.657,379 5.14,380 3.253,381 2.28,382 2.885,384 6.3,385 2.177,386 3.202,387 2.116,388 4.734,389 2.698,390 1.75,391 2.415,393 4.775,394 1.619,395 3.081,396 1.981,397 4.489,398 2.584,399 1.642,400 2.296,402 4.487,403 1.526,404 3.023,405 1.621,406 4.386,407 2.454,408 1.526,409 2.275,411 4.383,412 1.399,413 2.851,414 1.526,415 4.275,416 2.339,417 1.384,418 2,420 3.859,421 1.317,422 2.821,423 1.428,424 4.142,425 2.292,426 1.371,427 1.944,428 3.672,429 1.202,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 0.707,440 3.216,441 1.34,442 0.442,443 0.643,445 1.135,446 0.385,447 1.488,448 0.604,449 3.168,450 1.052,451 0.195,452 0.242,454 0.493,455 0.15,456 1.12,457 0.562,458 2.758,459 0.699,460 -0.203,461 -0.249,463 -0.463,464 -0.172,465 15.267,466 0.492,467 1.05,468 0.034,469 45.5,470 1.468,471 25.5,472 0.823,473 20,474 0.645,475 23.767,476 0.767,477 32.133,478 0.714,479 36.164,480 1.167,481 8.737,482 0.282,483 5.972,484 0.193,485 0.164,486 0.055,487 0.328,491 1,493 0.559,494 1.04,495 0.669,496 0.97,497 0.613,498 0.757,499 0.523,500 1.008,501 0.714,502 0.927,503 0.539,504 0.847,505 1.142,506 1.028,507 1.092,508 1.023,509 1.09,510 1.008,511 1.095,512 1.004,513 1.203,514 1.145,515 1.056,516 1.082,517 0.952,518 0.812,519 1.012,520 0.957,521 1.011,522 0.888,523 0.611,524 0.955,525 0.916,526 0.989,527 0.492,528 0.992,529 1.128,530 0.917,531 1.342,532 1.03,533 0.978,534 1.099,535 1.061,536 0.847,537 1.073,538 0.902,539 1.017,540 1.021,541 9,542 0.246,543 4.222,544 2.542,545 1.929,546 1.504,547 0.8,548 0.586,549 0.427,550 0.278,551 13121,552 51900,553 2.038,554 31.1,556 8,558 1,559 2,560 3,564 1.736,565 1.869,566 3.64,567 0.321,569 1,573 92.637,574 2.059,575 4.041,576 4.72,577 5.164,578 5.164,579 5.164,580 3.112,581 4.567,582 4.922,583 3.789,584 1761.94,585 8.597,586 25129.3,591 247.133,592 1.663,593 4.859,594 0.265,595 0.009,596 0.084,597 0.052,598 0.043,599 0.034,600 0.019,601 0.015,602 0.013,603 0.009,604 0.543,605 0.33,606 0.88,607 0.938,608 161.758,609 0.001,610 -0.072,611 0.089,612 -0.038,613 -0.115,614 0.043,615 0.21,616 -0.05,617 0.07,618 -0.017,619 0.168,620 -0.009,621 -0.216,622 -0.018,623 -0.157,624 -0.017,625 -0.148,626 -0.092,627 -0.165,628 -0.074,629 -0.097,630 -0.076,631 -0.118,632 -0.083,633 -0.026,634 0.035,635 -0.012,636 0.027,637 -0.059,638 0.073,639 0.219,640 -0.012,641 0.015,642 -0.049,643 0.294,644 -0.036,645 -0.22,646 -0.06,647 -0.22,648 -0.087,649 -0.136,650 -0.125,651 -0.136,652 0.005,653 0.049,654 0.084,655 -0.126,656 0.014,657 4.9,658 5.617,659 0.677,660 32.416,661 1.037,662 1.116,663 2.52,664 6.349,665 0.757,666 3.555,667 3.932,668 4.159,669 4.419,670 4.663,671 4.779,672 4.883,673 4.997,674 5.118,675 5.226,676 7.324,677 0.733,678 476.97,679 3.555,680 5.13,681 5.979,682 6.876,683 7.746,684 8.645,685 9.524,686 10.423,687 11.306,688 12.206,689 8.9,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 2,731 45,733 25,734 2,735 34,737 48,738 20,739 18,740 5,741 7,746 4,747 5,748 1,752 1,761 19,762 1,766 3,769 1,771 3,775 1,779 1,781 14,782 8,783 2,784 11,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 1,846 1,848 31,852 1,855 2,863 1,869 2,870 6.7,873 3,877 16.583,878 8.519,879 6.542,880 2.427,881 4.191,882 1.53,883 1.028,884 5.931,885 12.093,886 3.892,887 4.588,888 5.135,889 5.752,890 6.318,891 6.687,892 7.122,893 7.545,894 7.905,895 8.34,896 0.889,897 49,898 11.757,900 5.473,901 8.194,902 21,904 17.444,905 2.694,906 83.528,910 141.253,911 161.734,912 67.987,913 39.149,914 69.458,915 14.96,916 37.085,917 124.649,918 249.86,919 82.947,920 8.825,921 18.011,922 81.617,923 135.91,924 31.492,925 57.926,926 160.76,928 141.253,929 192.636,930 84.418,931 76.234,933 156.213,934 69.458,937 38.528,938 104.132,939 55.783,940 70.426,941 156.213,942 137.445,943 200.883,945 5.807,946 141.253,947 62.244,948 93.683,949 34.416,950 157.138,951 141.253,952 152.405,953 200.883,955 0.599,956 0.331,957 0.17,958 0.098,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.157,966 282.324,967 0.095,968 21,969 147.58,970 1,973 1,974 21.628,975 8.501,976 4.847,977 1.557,978 152.405,979 12.991,980 8.42,983 1.319,984 1.289,986 34.416,987 494.541,988 48,991 -3.984,993 36.476,997 -0.209,999 46.68,1000 50.236,1001 0.375,1002 0.736,1003 0.859,1004 0.94,1005 0.94,1006 0.94,1007 5.145,1008 1.642,1009 6.019,1010 4.775,1011 4.615,1012 5.276,1013 1.953,1014 6.872,1015 4.478,1016 6.417,1017 1.526,1018 7.614,1019 4.487,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.205,1025 7.779,1026 1.384,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.046,1033 6.026,1034 9.179,1035 1.371,1036 11.081,1037 3.859,1038 6.889,1039 8.524,1040 3.032,1041 13.022,1042 6.497,1043 10.61,1044 1,1045 12.891,1046 3.672,1047 8.3,1048 10.314,1049 4.037,1050 15.652,1051 7.873,1052 12.064,1053 0.442,1054 14.732,1055 2.275,1056 9.221,1057 11.547,1058 4.409,1059 17.955,1060 8.677,1061 13.537,1062 0.195,1063 16.599,1064 1.135,1065 10.476,1066 13.17,1067 5.25,1068 20.483,1069 9.882,1070 3.4,1071 -0.203,1072 18.486,1073 0.493,1074 11.546,1075 14.56,1076 5.75,1077 22.915,1078 10.842,1079 3.068,1080 12.528,1081 20.389,1082 -0.463,1083 12.749,1084 16.119,1085 6.501,1086 25.423,1087 11.981,1088 2.86,1089 9.826,1090 22.305,1091 4.71,1092 13.886,1093 17.581,1094 7.068,1095 27.906,1096 13.016,1097 2.536,1098 9.118,1099 24.232,1100 4.454,1101 15.077,1102 19.117,1103 7.771,1104 30.417,1105 14.13,1106 2.385,1107 8.09,1108 26.169,1109 3.939,1110 16.246,1111 20.614,1112 8.374,1113 32.922,1114 15.202,1115 2.28,1116 6.597,1117 28.114,1118 3.404,1119 17.438,1120 22.143,1121 9.051,1122 35.438,1123 16.31,1124 1.75,1125 6.3,1126 30.065,1127 3.315,1128 18.624,1129 23.657,1130 9.674,1131 37.954,1132 17.401,1133 12601,1134 25251,1135 22.076,1136 34.046,1137 52.171,1138 54.085,1139 53.479,1140 51.751,1141 51.682,1142 72.046,1143 4.112,1144 155.078,1145 48.066,1146 5.694,1147 6.686,1148 6.726,1149 5.44,1150 5.4,1151 7.71,1152 3.306,1153 19.92,1154 5.1,1155 18.251,1156 1.534,1157 1.591,1158 1.573,1159 1.522,1160 1.52,1161 2.119,1162 0.121,1163 4.561,1164 1.414,1165 4.119,1166 4.122,1167 4.738,1168 4.097,1169 8.201,1170 4.048,1171 4.04,1172 4.031,1173 4.323,1174 4.034,1175 7.717,1176 3.958,1177 3.822,1178 3.852,1179 3.971,1180 3.744,1181 7.43,1182 3.737,1183 3.611,1184 3.627,1185 3.72,1186 3.517,1187 6.999,1188 3.451,1189 3.554,1190 3.56,1191 3.573,1192 3.36,1193 5.055,1194 3.365,1195 3.237,1196 3.268,1197 3.402,1198 3.17,1199 4.938,1200 3.13,1201 2.921,1202 2.961,1203 3.182,1204 2.859,1205 4.584,1206 2.828,1207 2.854,1208 2.925,1209 2.82,1210 2.735,1211 4.413,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.056,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.1,1231 1.99,1232 1.986,1233 2.028,1234 2.063,1235 1.198,1236 2.083,1237 1.935,1238 1.933,1239 1.962,1240 1.997,1241 1.143,1242 2.016,1243 1.716,1244 1.693,1245 1.767,1246 1.832,1247 0.887,1248 1.827,1249 1.525,1250 1.482,1251 1.725,1252 1.772,1253 0.738,1254 1.762,1255 1.394,1256 1.431,1257 1.258,1258 1.555,1259 0.528,1260 1.584,1261 1.195,1262 1.168,1263 1.181,1264 1.348,1265 0.431,1266 1.38,1267 0.943,1268 0.936,1269 1.17,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.073,1276 1.03,1277 0.175,1278 1.045,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.748,1286 6.823,1287 10.408,1289 1.408,1290 6.103,1291 13.111,1296 5.047,1305 32.976,1306 92.637,1307 181.849,1308 212.379,1309 232.379,1310 232.379,1311 232.379,1312 74.577,1313 7.902,1314 101.05,1315 137.67,1316 23,1317 12.732,1318 4.7,1319 3.907,1320 49.519,1321 136,1322 138,1323 0.178,1324 211.801,1325 361.15,1326 508.555,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.59,1332 22.406,1333 18.277,1334 14.708,1335 0.433,1336 0.339,1337 8.938,1338 12.664,1339 8.505,1340 7.018,1341 15.833,1342 11.514,1343 14.52,1344 0.29,1345 0.192,1346 16.238,1347 9.576,1348 11.236,1349 0.178,1350 0.108,1351 13.031,1352 6.828,1353 9.25,1354 0.113,1355 0.061,1356 11.331,1357 5.018,1358 7.544,1359 0.072,1360 0.034,1361 9.513,1362 3.519,1363 0.281,1364 107.814,1365 0.213,1366 29.213,1367 0.48,1368 168,1369 631.198,1370 265.742,1371 656.22,1372 864.09,1373 602,1374 197,1375 559.214,1376 292.184,1377 622.361,1378 908.32,1379 582,1380 8.561}
{0 CHEMBL162,1 1.512,2 8.057,3 3.82,4 14.59,5 131.874,6 7.649,7 0.571,8 4.263,9 4.37,10 3.882,11 3.832,12 5.286,13 3.826,14 4.873,15 5.021,16 4.374,17 4.318,18 5.859,19 4.309,20 5.178,21 5.337,22 4.61,23 4.573,24 6.149,25 4.556,26 5.369,27 5.531,28 4.757,29 4.756,30 6.333,31 4.727,32 5.532,33 5.717,34 4.778,35 4.847,36 6.495,37 4.794,38 5.585,39 5.797,40 4.686,41 4.848,42 6.518,43 4.761,44 5.533,45 5.767,46 4.425,47 4.709,48 6.463,49 4.58,50 5.314,51 5.575,52 3.935,53 4.389,54 6.201,55 4.21,56 0.027,57 0.917,58 12.149,59 5.573,60 11.265,61 6.965,62 0.37,63 1.627,64 25.463,65 9.887,66 30.97,67 12.55,68 0.571,69 2.159,70 35.68,71 13.607,72 40.408,73 17.155,74 0.443,75 2.615,76 42.815,77 17.103,78 43.837,79 21.674,80 0.654,81 3.038,82 52.426,83 19.901,84 53.811,85 25.674,86 0.548,87 3.117,88 57.473,89 22.265,90 66.036,91 29.664,92 0.67,93 2.864,94 56.948,95 21.781,96 84.94,97 29.533,98 0.536,99 2.232,100 47.876,101 17.849,102 74.079,103 24.601,104 21,105 68,106 0.238,107 0.589,108 0.78,109 0.837,110 0.857,111 0.878,112 3.592,113 0.875,114 -3.69,115 -3.66,116 -3.48,119 45.9,120 1,121 1,124 2,125 1,127 2,128 1,131 1,142 8,143 6,152 4,158 1,172 13,174 2,175 11,178 1,180 3,183 14,186 3,187 12,190 1,192 2,195 13,199 16,202 3,204 3,207 17,211 2,212 15,215 2,217 2,220 19,223 1,224 13,229 10,232 18,236 1,237 8,240 1,242 10,245 12,250 4,253 1,255 2,258 10,262 1,263 1,266 1,267 1,271 4,275 1554,276 24.479,277 24.479,278 24.479,279 24.479,280 24.479,281 21.802,282 28.268,283 13.618,284 25.037,285 20.655,286 20.655,287 20.655,288 20.655,289 20.655,290 16.241,291 43.083,292 6.255,293 21.485,294 4.419,295 2.197,296 0.988,297 0.627,298 0.496,299 0.365,300 4.332,305 1,306 655,307 3.606,310 83.28,311 145.816,312 35.366,314 304.128,315 103.607,316 57.287,317 460.14,318 0.986,319 31.918,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 282,332 5.131,333 4.031,334 8.018,335 4.73,336 3.785,337 5.285,338 1.157,339 15.502,340 3.602,341 4.747,342 3.722,343 7.443,344 4.418,345 3.454,346 4.71,347 1.081,348 13.599,349 3.307,350 4.507,351 3.378,352 6.984,353 4.144,354 3.178,355 3.952,356 0.86,357 11.874,358 3.072,359 4.188,360 3.256,361 6.655,362 3.852,363 2.872,364 3.612,365 0.473,366 10.548,367 2.807,368 3.861,369 2.75,370 6.172,371 3.462,372 2.505,373 3.412,374 0.4,375 8.784,376 2.39,377 3.691,378 2.678,379 6.05,380 3.365,381 2.389,382 3.043,383 0.297,384 8.42,385 2.333,386 3.521,387 2.532,388 5.844,389 3.181,390 2.236,391 2.862,393 7.654,394 2.107,395 3.408,396 2.327,397 5.654,398 3.06,399 2.07,400 2.62,402 7.069,403 2.039,404 3.126,405 2.011,406 5.264,407 2.736,408 1.766,409 2.23,411 5.664,412 1.703,413 2.932,414 1.901,415 4.97,416 2.54,417 1.589,418 2.097,420 4.926,421 1.508,422 2.867,423 1.705,424 4.719,425 2.428,426 1.435,427 1.997,428 4.264,429 1.418,430 2.855,431 1.494,432 4.14,433 2.38,434 1.381,435 1.957,436 3.045,437 1.378,438 2.662,439 1.399,440 4.027,441 2.198,442 1.228,443 1.722,445 2.917,446 1.19,447 2.371,448 1.286,449 3.853,450 2.063,451 1.138,452 1.342,454 2.822,455 1.044,456 2.126,457 1.149,458 3.658,459 1.879,460 0.939,461 1.064,463 2.394,464 0.876,465 16.6,466 0.474,467 1.022,468 0.029,469 44.25,470 1.264,471 19.5,472 0.557,473 24.75,474 0.707,475 38.341,476 1.095,477 36.2,478 0.593,479 38.554,480 1.102,481 8.525,482 0.244,483 8.555,484 0.244,485 0.11,486 0.03,487 0.47,493 0.835,494 1.254,495 0.724,496 1.006,497 0.653,498 0.868,499 1.08,500 0.99,501 0.771,502 0.782,503 0.702,504 0.734,505 1.178,506 0.948,507 0.845,508 0.816,509 0.866,510 0.782,511 1.13,512 1.078,513 0.889,514 0.967,515 0.838,516 0.905,517 1.163,518 1.028,519 1.047,520 1.013,521 0.793,522 1.007,523 0.983,524 1.072,525 1.033,526 1.076,527 0.852,528 1.062,529 0.911,530 1.07,531 1.128,532 1.151,533 1.067,534 1.171,535 0.945,536 1.048,537 1.216,538 1.192,539 1.274,540 1.241,541 5.5,542 0.025,543 4.667,544 4.84,545 3.922,546 2.588,547 2.086,548 0.973,549 0.411,550 0.147,551 14300,552 32464,553 2.268,554 42.6,556 18,557 1,559 2,562 3,563 2,564 1.784,565 2.111,566 2.956,567 0.134,573 92.203,574 1.512,575 3.734,576 4.943,577 5.303,578 5.435,579 5.566,580 2.248,581 4.879,582 5.104,583 3.062,584 1821.68,585 9.056,586 24785.1,591 361.775,592 1.549,593 5.058,594 0.131,595 0.006,596 0.069,597 0.057,598 0.04,599 0.027,600 0.024,601 0.015,602 0.012,603 0.009,604 0.39,605 0.5,606 0.75,607 0.74,608 176.229,609 -0.039,610 -0.127,611 0.085,612 -0.022,613 -0.069,614 0.039,615 0.025,616 0.11,617 0.133,618 0.176,619 0.003,620 0.171,621 0.021,622 0.123,623 0.086,624 0.145,625 -0.019,626 0.13,627 -0.05,628 -0.027,629 0.031,630 0.007,631 -0.01,632 0.025,633 -0.078,634 0.018,635 -0.099,636 -0.05,637 -0.007,638 -0.072,639 -0.06,640 -0.083,641 -0.068,642 -0.089,643 0.009,644 -0.08,645 -0.002,646 -0.123,647 -0.134,648 -0.156,649 0.019,650 -0.163,651 -0.054,652 -0.137,653 -0.187,654 -0.192,655 -0.098,656 -0.208,657 2.01,658 6.322,659 0.829,660 25.211,661 1.002,662 1.118,663 2.464,664 6.07,665 0.685,666 3.761,667 4.234,668 4.727,669 5.226,670 5.652,671 6.045,672 6.441,673 6.802,674 7.081,675 7.347,676 5.059,677 0.656,678 466.58,679 3.761,680 5.398,681 6.365,682 7.357,683 8.348,684 9.353,685 10.354,686 11.364,687 12.369,688 13.381,689 6.6,691 1,696 1,697 2,703 8,704 8,709 2,710 2,711 24,718 1,731 61,733 25,734 3,735 42,737 68,738 28,739 18,740 10,741 8,742 1,746 8,747 80,752 1,755 4,758 4,761 19,762 9,766 1,771 1,775 1,781 26,782 5,783 2,784 7,790 4,794 0.125,795 3,807 2,811 3,812 4,813 1,815 6,816 2,817 1,818 7,835 1,839 2,840 1,844 3,848 35,854 2,855 2,856 2,858 3,860 1,870 4.9,873 1,874 2,877 16.583,878 12.067,879 7.347,880 3.789,881 5.329,882 1.503,883 1.089,884 3.859,885 15.919,886 4.025,887 4.787,888 5.612,889 6.453,890 7.231,891 7.931,892 8.645,893 9.319,894 9.871,895 10.431,896 0.667,897 85,898 13.078,900 6.105,901 7.545,902 25.55,904 23.506,905 2.045,906 71.583,910 282.506,911 138.499,912 39.82,914 47.145,917 138.499,918 329.651,919 39.82,920 28.105,921 22.651,922 93.821,923 51.849,924 20.461,925 20.348,926 270.735,928 282.506,929 178.319,930 47.145,933 247.193,934 60.458,935 22,937 53.285,938 125.034,941 282.506,942 86.964,943 138.499,946 282.506,947 34.584,948 107.713,949 36.022,950 47.145,951 282.506,952 86.964,953 138.499,955 0.603,956 0.395,957 0.252,958 0.152,959 43,960 18,961 0.029,962 2,963 10,964 1.586,965 4.034,966 446.328,967 0.69,968 26,969 177.525,974 20.312,975 6.65,976 2.213,977 8.778,978 83.166,979 16.886,984 1.884,985 4.7,986 36.022,987 507.97,988 55,993 13.322,997 0.004,999 61.109,1000 68.189,1001 0.255,1002 0.63,1003 0.833,1004 0.894,1005 0.916,1006 0.938,1007 5.357,1008 2.07,1009 6.425,1010 7.654,1011 4.92,1012 5.476,1013 2.133,1014 7.461,1015 4.844,1016 6.635,1017 1.766,1018 8.118,1019 7.069,1020 4.796,1021 5.602,1023 8.844,1024 4.675,1025 8.027,1026 1.589,1027 9.919,1028 5.664,1029 6.744,1030 7.923,1031 2.149,1032 12.085,1033 6.587,1034 9.463,1035 1.435,1036 11.786,1037 4.926,1038 7.468,1039 8.919,1041 14.301,1042 7.255,1043 10.937,1044 1.381,1045 13.695,1046 4.264,1047 8.937,1048 10.764,1049 2.286,1050 17.129,1051 8.689,1052 12.438,1053 1.228,1054 15.635,1055 3.045,1056 10.007,1057 12.137,1059 19.656,1060 9.702,1061 13.961,1062 1.138,1063 17.596,1064 2.917,1065 11.334,1066 13.829,1067 2.465,1068 22.381,1069 10.988,1070 3.785,1071 0.939,1072 19.575,1073 2.822,1074 12.541,1075 15.361,1077 25.023,1078 12.139,1079 3.454,1080 15.502,1081 21.568,1082 2.394,1083 13.834,1084 17.009,1085 2.668,1086 27.73,1087 13.386,1088 3.178,1089 13.599,1090 23.573,1091 5.285,1092 15.094,1093 18.606,1095 30.416,1096 14.592,1097 2.872,1098 11.874,1099 25.587,1100 4.71,1101 16.385,1102 20.245,1103 2.888,1104 33.125,1105 15.834,1106 2.505,1107 10.548,1108 27.61,1109 3.952,1110 17.669,1111 21.871,1113 35.831,1114 17.065,1115 2.389,1116 8.784,1117 29.639,1118 3.612,1119 18.965,1120 23.512,1121 3.12,1122 38.547,1123 18.311,1124 2.236,1125 8.42,1126 31.674,1127 3.412,1128 20.262,1129 25.151,1131 41.264,1132 19.555,1133 12834,1134 19467,1135 28.668,1136 41.762,1137 67.299,1138 68.73,1139 71.374,1140 67.01,1141 67.063,1142 87.688,1143 8.536,1144 226.373,1145 64.499,1146 6.131,1147 6.031,1148 7.696,1149 5.862,1150 5.785,1151 8.285,1152 2.315,1153 24.331,1154 5.602,1155 14.98,1156 1.602,1157 1.636,1158 1.699,1159 1.595,1160 1.597,1161 2.088,1162 0.203,1163 5.39,1164 1.536,1165 4.366,1166 4.389,1167 4.351,1168 4.286,1169 7.429,1170 4.299,1171 4.019,1172 4.046,1173 3.986,1174 3.953,1175 5.093,1176 3.957,1177 3.852,1178 3.888,1179 3.781,1180 3.692,1181 4.812,1182 3.707,1183 3.726,1184 3.764,1185 3.658,1186 3.623,1187 4.7,1188 3.624,1189 3.488,1190 3.552,1191 3.401,1192 3.305,1193 4.465,1194 3.324,1195 3.397,1196 3.461,1197 3.272,1198 3.228,1199 4.409,1200 3.23,1201 3.27,1202 3.347,1203 3.134,1204 3.066,1205 4.253,1206 3.067,1207 3.221,1208 3.293,1209 3.042,1210 2.985,1211 4.076,1212 2.985,1213 0.122,1214 0.096,1215 0.191,1216 0.113,1217 0.09,1218 5.131,1219 0.126,1220 4.031,1221 0.028,1222 8.018,1223 0.369,1224 4.73,1225 0.086,1226 3.785,1227 5.285,1228 1.157,1229 15.502,1230 3.602,1231 2.036,1232 2.028,1233 2.08,1234 2.088,1235 1.366,1236 2.075,1237 1.955,1238 1.93,1239 2.053,1240 2.068,1241 1.349,1242 2.07,1243 1.889,1244 1.856,1245 1.955,1246 2.019,1247 1.166,1248 2.003,1249 1.787,1250 1.751,1251 1.944,1252 1.937,1253 1.137,1254 1.944,1255 1.39,1256 1.33,1257 1.675,1258 1.663,1259 0.845,1260 1.656,1261 1.379,1262 1.319,1263 1.604,1264 1.634,1265 0.758,1266 1.632,1267 1.293,1268 1.223,1269 1.577,1270 1.55,1271 0.67,1272 1.553,1273 1.195,1274 1.115,1275 1.54,1276 1.493,1277 0.591,1278 1.517,1279 4.443,1281 5.878,1282 3.434,1283 7.529,1284 6.009,1285 9.284,1286 8.32,1287 11.098,1289 5.922,1295 1.286,1296 6.64,1297 13.258,1299 -0.335,1301 -0.76,1305 40.025,1306 92.203,1307 227.775,1308 301.51,1309 323.51,1310 331.51,1311 339.51,1312 51.729,1313 10.59,1314 69.45,1315 69.45,1316 46,1317 13.834,1318 4.7,1319 3.807,1320 39.627,1321 112,1322 104,1323 0.19,1324 230.101,1325 383.55,1326 553.206,1327 628354,1329 23.637,1330 0.675,1331 0.568,1332 23.637,1333 19.884,1334 17.08,1335 0.407,1336 0.292,1337 12.073,1338 16.441,1339 11.765,1340 9.596,1341 17.08,1342 12.253,1343 16.322,1344 0.24,1345 0.149,1346 16.322,1347 10.137,1348 15.926,1349 0.142,1350 0.077,1351 15.926,1352 8.596,1353 15.835,1354 0.086,1355 0.04,1356 15.835,1357 7.334,1358 14.487,1359 0.051,1360 0.02,1361 14.487,1362 5.703,1363 0.273,1364 106.923,1365 0.187,1366 29.807,1367 0.616,1368 220,1369 539.163,1370 239.789,1371 517.065,1372 750.66,1373 492,1374 290,1375 592.552,1376 312.869,1377 597.473,1378 923.77,1379 568,1380 5}
{0 CHEMBL1630536,1 1.185,2 7.043,3 5.877,4 34.536,5 93.072,6 6.127,7 0.385,8 4.001,9 4.122,10 3.414,11 3.578,12 4.9,13 3.51,14 4.629,15 4.815,16 3.89,17 4.083,18 5.42,19 3.995,20 5.032,21 5.23,22 4.093,23 4.399,24 5.812,25 4.277,26 5.329,27 5.584,28 4.118,29 4.531,30 6.037,31 4.365,32 5.346,33 5.612,34 3.924,35 4.496,36 6.015,37 4.292,38 5.28,39 5.593,40 3.677,41 4.318,42 5.892,43 4.076,44 4.999,45 5.305,46 3.193,47 3.922,48 5.72,49 3.661,50 4.575,51 4.92,52 2.502,53 3.281,54 5.355,55 2.995,56 0.062,57 0.665,58 12.711,59 5.768,60 9.718,61 7.779,62 0.112,63 1.195,64 23.531,65 10.426,66 16.402,67 14.298,68 0.208,69 1.744,70 35.249,71 15.208,72 27.747,73 20.935,74 0.432,75 2.206,76 46.807,77 19.325,78 43.86,79 27.064,80 0.345,81 2.222,82 47.225,83 19.521,84 38.258,85 27.478,86 0.266,87 2.012,88 43.154,89 17.833,90 36.607,91 25.584,92 0.3,93 1.446,94 33.144,95 12.651,96 39.189,97 17.978,98 0.272,99 0.862,100 21.69,101 7.462,102 38.227,103 10.635,104 26,105 42,106 0.201,107 0.5,108 0.688,109 0.841,110 0.841,111 0.841,112 3.192,113 1.048,114 -5.46,115 -5.34,116 -4.98,119 41.2,120 4,121 5,122 2,123 2,142 3,143 2,144 1,152 2,172 17,175 4,180 2,183 27,187 4,192 1,195 32,199 5,202 1,204 1,207 31,212 2,217 1,220 25,224 3,229 2,232 15,242 5,245 6,255 3,268 3,275 593,276 14.935,277 14.935,278 14.935,279 14.935,280 14.935,281 13.816,282 11.503,283 8.172,284 14.976,285 12.789,286 12.789,287 12.789,288 12.789,289 12.789,290 10.995,291 9.125,292 3.82,293 12.868,294 4.487,295 2.729,296 1.627,297 0.726,298 0.726,299 0.726,300 3.879,305 1,306 353,307 3.082,310 23.39,311 70.372,312 36.741,314 49.028,315 51.02,316 61.907,318 1.013,319 16.734,322 0.75,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.94,330 48,331 162,332 4.901,333 3.912,334 8.094,335 4.769,336 3.769,337 4.662,339 15.628,340 3.769,341 4.457,342 3.292,343 7.166,344 4.23,345 3.231,346 3.697,348 12.06,349 3.229,350 3.987,351 2.891,352 6.471,353 3.788,354 2.791,355 3.284,357 9.804,358 2.783,359 3.726,360 2.753,361 5.922,362 3.537,363 2.543,364 2.87,366 8.11,367 2.527,368 3.433,369 2.325,370 5.28,371 3.088,372 2.122,373 2.698,375 6.097,376 2.042,377 3.043,378 1.692,379 4.901,380 2.642,381 1.647,382 2.273,384 5.011,385 1.637,386 2.762,387 1.566,388 4.624,389 2.564,390 1.564,391 1.79,393 4.378,394 1.564,395 2.413,396 1.353,397 4.33,398 2.331,399 1.333,400 1.41,402 3.427,403 1.329,404 2.06,405 0.781,406 3.744,407 1.769,408 0.769,409 0.902,411 1.988,412 0.769,413 1.821,414 0.707,415 3.395,416 1.619,417 0.625,418 0.775,420 1.665,421 0.62,422 1.061,423 0.088,424 3.235,425 1.004,426 0.005,427 0.005,428 0.012,429 0.005,430 0.958,431 -0.059,432 3.061,433 0.767,434 -0.229,435 -0.233,436 -0.588,437 -0.227,438 0.788,439 -0.242,440 2.714,441 0.543,442 -0.398,443 -0.495,445 -1.013,446 -0.37,447 0.641,448 -0.593,449 2.45,450 0.302,451 -0.698,452 -0.865,454 -2.086,455 -0.697,456 0.158,457 -1,458 2.332,460 -1,461 -1,463 -3,464 -1,465 11.167,466 0.486,467 0.931,468 0.04,469 22.25,470 0.967,471 8.5,472 0.37,473 13.75,474 0.598,475 30.727,476 1.336,477 26.033,478 0.51,479 12.248,480 0.533,481 3.029,482 0.132,483 7.798,484 0.339,485 0.209,486 0.09,487 0.313,493 0.895,494 1.125,495 0.99,496 1.115,497 1,498 1.068,499 0.658,500 0.993,501 0.805,502 0.98,503 0.442,504 0.914,505 0.897,506 1.168,507 1.07,508 1.164,509 0.759,510 1.136,511 0.818,512 1.016,513 0.985,514 1.019,515 0.539,516 1.017,517 0.911,518 1.113,519 1.133,520 1.122,521 0.605,522 1.144,523 0.479,524 0.982,525 0.882,526 0.986,527 0.458,528 0.971,529 1.189,530 1.051,531 1.096,532 1.053,533 1.091,534 1.065,535 1.774,536 0.688,537 0.947,538 0.687,539 2.751,540 0.737,541 7,543 4.444,544 3.569,545 2.634,546 1.139,547 0.723,548 0.196,549 0.148,550 0.016,551 4481,552 7916,553 2.067,554 54.9,555 23,556 3,559 1,560 1,564 1.669,565 1.865,566 2.763,567 -0.455,573 60.449,574 1.185,575 2.944,576 4.045,577 4.947,578 4.947,579 4.947,580 2.262,581 3.795,582 4.499,583 2.873,584 726.886,585 7.807,586 7611.5,591 289.294,592 1.837,593 4.407,594 0.269,596 0.106,597 0.073,598 0.055,599 0.031,600 0.026,601 0.014,602 0.025,603 0.005,604 0.603,605 0.67,606 0.88,607 0.675,608 101.725,609 -0.018,610 0.066,611 0.061,612 0.068,613 -0.087,614 0.071,615 0.076,616 0.118,617 0.203,618 0.13,619 0.174,620 0.172,621 -0.027,622 -0.085,623 -0.063,624 -0.084,625 -0.005,626 -0.077,627 0.075,628 -0.014,629 -0.005,630 -0.015,631 0.081,632 -0.017,633 -0.08,634 -0.125,635 -0.167,636 -0.132,637 -0.049,638 -0.154,639 0.057,640 -0.045,641 0.036,642 -0.038,643 0.034,644 -0.007,645 -0.064,646 -0.14,647 -0.129,648 -0.141,649 -0.038,650 -0.141,651 -0.126,652 0.144,653 0.046,654 0.14,655 -0.272,656 0.112,657 1.375,658 3.833,659 0.783,660 12.953,661 0.981,662 1.122,663 4.227,664 17.869,665 0.639,666 3.296,667 3.761,668 4.111,669 4.489,670 4.771,671 5.004,672 5.136,673 5.283,674 5.371,675 5.384,676 4.287,677 0.584,678 312.49,679 3.296,680 4.92,681 5.832,682 6.797,683 7.732,684 8.703,685 9.647,686 10.62,687 11.568,688 12.54,703 2,704 3,707 1,709 3,711 10,728 1,731 51,733 10,734 1,735 26,737 54,738 21,739 8,740 3,741 3,746 4,747 10,752 4,753 2,754 2,755 5,756 2,758 5,761 8,762 13,763 2,780 1,781 28,782 2,783 1,784 2,794 0.25,795 2,811 1,812 2,813 1,815 1,816 1,817 1,840 1,844 4,848 23,853 1,854 5,858 2,860 2,870 3.9,872 1,875 1,877 12.333,878 10.283,879 4.694,880 3.494,881 2.122,882 1.275,883 0.926,884 3.31,885 9.838,886 3.466,887 4.131,888 4.75,889 5.408,890 5.959,891 6.388,892 6.787,893 7.162,894 7.249,895 7.414,896 0.8,897 49,898 8.602,900 3.825,901 7.435,902 17.369,904 15.933,905 1.935,906 44.5,907 0.001,910 317.82,911 92.446,914 52.191,917 92.446,918 370.01,920 35.301,921 12.673,922 28.429,923 42.683,924 15.266,925 10.285,926 317.82,928 317.82,929 92.446,930 52.191,933 317.82,934 52.191,937 47.973,938 44.472,941 317.82,942 52.191,943 92.446,946 317.82,947 28.716,948 63.73,950 52.191,951 317.82,952 52.191,953 92.446,955 0.62,956 0.373,957 0.209,958 0.119,959 25,960 11,963 3,964 1.333,965 3.188,966 215.041,967 0.333,968 18,969 102.042,974 15.413,975 4.939,976 2.148,977 2.073,978 52.191,979 5.651,982 6.286,984 2.906,986 42.683,987 462.456,988 31,999 50.025,1000 57.232,1001 0.209,1002 0.519,1003 0.713,1004 0.872,1005 0.872,1006 0.872,1007 4.816,1008 1.333,1009 5.938,1010 4.378,1011 4.443,1012 4.816,1014 6.954,1015 4.433,1016 6.088,1017 0.769,1018 7.639,1019 3.427,1020 4.511,1021 4.956,1023 8.507,1024 4.498,1025 7.478,1026 0.625,1027 9.459,1028 1.988,1029 6.315,1030 7.099,1032 11.655,1033 6.304,1034 8.902,1035 0.005,1036 11.352,1037 1.665,1038 7.148,1039 8.006,1041 13.988,1042 7.137,1043 10.36,1044 -0.229,1045 13.292,1046 0.012,1047 8.563,1048 9.745,1050 16.81,1051 8.554,1052 11.841,1053 -0.398,1054 15.264,1055 -0.588,1056 9.685,1057 10.991,1059 19.405,1060 9.678,1061 13.339,1062 -0.698,1063 17.26,1064 -1.013,1065 10.999,1066 12.592,1068 22.155,1069 10.993,1070 3.769,1071 -1,1072 19.273,1073 -2.086,1074 12.231,1075 13.995,1077 24.841,1078 12.227,1079 3.231,1080 15.628,1081 21.299,1082 -3,1083 13.527,1084 15.547,1086 27.579,1087 13.523,1088 2.791,1089 12.06,1090 23.336,1091 4.662,1092 14.803,1093 17.022,1095 30.299,1096 14.8,1097 2.543,1098 9.804,1099 25.382,1100 3.697,1101 16.102,1102 18.56,1104 33.038,1105 16.099,1106 2.122,1107 8.11,1108 27.434,1109 3.284,1110 17.398,1111 20.068,1113 35.773,1114 17.395,1115 1.647,1116 6.097,1117 29.493,1118 2.87,1119 18.703,1120 21.602,1122 38.515,1123 18.701,1124 1.564,1125 5.011,1126 31.556,1127 2.698,1128 20.009,1129 23.126,1131 41.257,1132 20.008,1133 4363,1134 5934,1135 16.701,1136 32.569,1137 41.359,1138 40.843,1139 43.248,1140 40.851,1141 40.799,1142 48.731,1144 136.36,1145 40.547,1146 5.901,1147 5.912,1148 7.459,1149 5.769,1150 5.769,1151 7.662,1153 24.74,1154 5.769,1155 12.493,1156 1.591,1157 1.571,1158 1.663,1159 1.571,1160 1.569,1161 1.874,1163 5.245,1164 1.559,1165 4.173,1166 4.185,1167 4.134,1168 4.092,1169 6.471,1170 4.099,1171 3.899,1172 3.933,1173 3.803,1174 3.813,1175 5.08,1176 3.806,1177 3.636,1178 3.691,1179 3.505,1180 3.526,1181 4.402,1182 3.512,1183 3.451,1184 3.517,1185 3.296,1186 3.331,1187 4.258,1188 3.313,1189 3.268,1190 3.341,1191 3.126,1192 3.106,1193 4.029,1194 3.093,1195 3.234,1196 3.286,1197 3.032,1198 3.069,1199 3.975,1200 3.058,1201 3.041,1202 3.135,1203 2.798,1204 2.829,1205 3.697,1206 2.805,1207 2.911,1208 3.009,1209 2.758,1210 2.763,1211 3.604,1212 2.757,1213 0.188,1214 0.15,1215 0.311,1216 0.183,1217 0.145,1218 4.901,1219 0.179,1220 3.912,1222 8.094,1223 0.601,1224 4.769,1225 0.145,1226 3.769,1227 4.662,1229 15.628,1230 3.769,1231 2.005,1232 1.977,1233 2.158,1234 2.095,1235 1.583,1236 2.117,1237 1.874,1238 1.849,1239 1.987,1240 1.974,1241 1.3,1242 1.974,1243 1.742,1244 1.706,1245 1.939,1246 1.894,1247 1.132,1248 1.912,1249 1.488,1250 1.427,1251 1.765,1252 1.662,1253 0.976,1254 1.7,1255 1.349,1256 1.278,1257 1.653,1258 1.545,1259 0.942,1260 1.585,1261 1.117,1262 1.019,1263 1.521,1264 1.37,1265 0.673,1266 1.427,1267 1.034,1268 0.977,1269 1.417,1270 1.286,1271 0.469,1272 1.308,1273 0.934,1274 0.889,1275 1.3,1276 1.239,1277 0.411,1278 1.288,1279 3.97,1281 5.398,1282 2.398,1283 7.022,1284 4.949,1285 8.742,1286 7.261,1287 10.516,1289 9.684,1294 9.833,1295 6.347,1299 1.153,1301 0.568,1305 29.805,1306 60.449,1307 150.135,1308 206.3,1309 252.274,1310 252.274,1311 252.274,1312 38.381,1313 7.716,1314 33.37,1315 33.37,1316 24,1317 13.02,1318 3.459,1319 2.585,1320 31.418,1321 59,1322 68,1323 0.278,1324 178.919,1325 307.64,1326 428.322,1327 21451,1329 16.405,1330 0.713,1331 0.643,1332 16.405,1333 14.778,1334 10.827,1335 0.416,1336 0.349,1337 9.044,1338 10.642,1339 8.626,1340 7.18,1341 10.827,1342 9.087,1343 11.223,1344 0.267,1345 0.21,1346 11.223,1347 8.812,1348 9.48,1349 0.158,1350 0.114,1351 9.48,1352 6.838,1353 8.573,1354 0.097,1355 0.065,1356 8.573,1357 5.719,1358 6.951,1359 0.059,1360 0.035,1361 6.951,1362 4.137,1363 0.401,1364 66.357,1365 0.245,1366 21.215,1367 0.891,1368 136,1369 261.885,1370 142.311,1371 258.123,1372 368.59,1373 242,1374 170,1375 290.303,1376 176.644,1377 297.441,1378 444.26,1379 280,1380 5.658}
{0 CHEMBL1630537,1 1.297,2 7.192,3 5.369,4 28.823,5 101.358,6 6.602,7 0.345,8 4.071,9 4.18,10 3.528,11 3.625,12 5.096,13 3.578,14 4.68,15 4.853,16 4.004,17 4.129,18 5.567,19 4.063,20 5.085,21 5.263,22 4.269,23 4.452,24 6.052,25 4.361,26 5.405,27 5.638,28 4.319,29 4.595,30 6.341,31 4.465,32 5.425,33 5.674,34 4.146,35 4.563,36 6.301,37 4.391,38 5.348,39 5.641,40 3.962,41 4.406,42 6.076,43 4.216,44 5.14,45 5.384,46 3.749,47 4.12,48 6.146,49 3.962,50 4.964,51 5.252,52 3.257,53 3.658,54 6.052,55 3.496,56 0.054,57 0.702,58 12.808,59 5.987,60 13.543,61 7.711,62 0.096,63 1.248,64 23.942,65 10.75,66 20.365,67 14.312,68 0.251,69 1.826,70 36.364,71 15.742,72 50.661,73 21.13,74 0.73,75 2.329,76 51.741,77 20.173,78 99.875,79 27.842,80 0.623,81 2.358,82 52.59,83 20.573,84 91.319,85 28.802,86 0.365,87 2.127,88 48.657,89 18.717,90 65.081,91 26.87,92 0.46,93 1.648,94 40.607,95 14.071,96 78.033,97 19.365,98 0.725,99 1.204,100 35.796,101 10.089,102 123.925,103 13.936,104 51,105 47,106 0.217,107 0.536,108 0.708,109 0.842,110 0.848,111 0.848,112 3.307,113 1.001,114 -4.99,115 -4.9,116 -4.59,119 40.7,120 4,121 5,122 2,123 2,142 1,143 3,144 2,152 2,155 1,172 16,175 5,180 2,183 25,187 4,191 1,192 3,195 31,198 1,199 5,202 2,204 2,207 30,212 4,215 2,217 2,220 21,224 5,229 6,232 10,237 5,242 10,245 3,250 3,255 6,263 3,268 3,275 840,276 16.858,277 16.858,278 16.858,279 16.858,280 16.858,281 15.612,282 12.911,283 9.09,284 16.9,285 14.152,286 14.152,287 14.152,288 14.152,289 14.152,290 12.083,291 10.303,292 4.109,293 14.249,294 4.458,295 2.549,296 1.523,297 0.723,298 0.686,299 0.686,300 3.991,304 1,305 1,306 400,307 3.391,310 26.82,311 83.877,312 44.157,314 57.068,315 60.275,316 74.833,318 1.068,319 33.771,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 56,331 187,332 4.928,333 3.917,334 8.095,335 4.773,336 3.773,337 4.775,339 15.637,340 3.773,341 4.566,342 3.396,343 7.189,344 4.294,345 3.298,346 3.903,348 12.218,349 3.284,350 4.192,351 3.179,352 6.756,353 3.982,354 2.993,355 3.47,357 10.793,358 2.959,359 3.797,360 2.853,361 6.274,362 3.645,363 2.652,364 3.018,366 9.08,367 2.634,368 3.553,369 2.755,370 5.779,371 3.265,372 2.287,373 2.783,375 7.45,376 2.233,377 3.461,378 2.442,379 5.462,380 3.077,381 2.088,382 2.72,384 6.565,385 2.054,386 2.766,387 2.001,388 4.993,389 2.627,390 1.629,391 1.794,393 4.797,394 1.625,395 2.564,396 1.671,397 4.501,398 2.338,399 1.341,400 1.497,402 3.492,403 1.337,404 2.414,405 1.392,406 4.181,407 2.1,408 1.082,409 1.404,411 3.16,412 1.096,413 2.223,414 1.181,415 3.532,416 1.75,417 0.77,418 0.987,420 1.917,421 0.75,422 1.829,423 0.814,424 3.415,425 1.737,426 0.714,427 0.794,428 1.427,429 0.717,430 1.27,431 0.513,432 3.314,433 1.065,434 0.083,435 0.087,436 0.222,437 0.081,438 1.193,439 0.205,440 3.218,441 0.864,442 -0.127,443 -0.148,445 -0.263,446 -0.125,447 0.932,448 -0.13,449 2.791,450 0.754,451 -0.26,452 -0.295,454 -0.593,455 -0.261,456 0.746,457 -0.263,458 2.598,459 0.613,460 -0.381,461 -0.509,463 -0.952,464 -0.378,465 12.333,466 0.474,467 1.055,468 0.041,469 26.25,470 1.01,471 10.5,472 0.404,473 15.75,474 0.606,475 34.488,476 1.326,477 29.667,478 0.549,479 18.142,480 0.698,481 3.947,482 0.152,483 8.256,484 0.318,485 0.243,486 0.081,487 0.365,493 0.821,494 1.106,495 0.913,496 1.095,497 0.778,498 1.029,499 0.592,500 0.98,501 0.73,502 0.966,503 0.486,504 0.883,505 0.618,506 1.205,507 0.935,508 1.199,509 0.465,510 1.128,511 0.713,512 1.011,513 0.935,514 1.017,515 0.505,516 1.012,517 0.658,518 1.12,519 1.038,520 1.134,521 0.499,522 1.144,523 0.518,524 0.956,525 0.803,526 0.958,527 0.49,528 0.93,529 1.324,530 1.22,531 1.214,532 1.214,533 1.279,534 1.199,535 2.068,536 0.669,537 1.171,538 0.662,539 2.562,540 0.761,541 7.5,543 5.333,544 4.069,545 3.181,546 1.72,547 1.016,548 0.451,549 0.271,550 0.031,551 5976,552 13334,553 2.014,554 51.9,555 23,556 1,558 1,559 2,560 1,564 1.703,565 1.793,566 2.846,567 0.175,573 70.05,574 1.297,575 3.206,576 4.232,577 5.032,578 5.069,579 5.069,580 2.272,581 4.316,582 4.676,583 2.978,584 967.714,585 8.167,586 11074.9,591 310.764,592 1.847,593 4.568,594 0.259,596 0.113,597 0.07,598 0.055,599 0.037,600 0.026,601 0.017,602 0.018,603 0.005,604 0.6,605 0.33,606 1,607 0.871,608 120.393,609 -0.058,610 0.093,611 0.033,612 0.093,613 -0.056,614 0.079,615 0.033,616 0.144,617 0.2,618 0.158,619 0.064,620 0.198,621 0.083,622 -0.104,623 0.003,624 -0.1,625 0.117,626 -0.066,627 0.131,628 -0.002,629 0.025,630 -0.006,631 0.14,632 -0.006,633 0.074,634 -0.127,635 -0.095,636 -0.134,637 0.088,638 -0.14,639 0.063,640 -0.009,641 0.122,642 0.005,643 0.038,644 0.064,645 -0.114,646 -0.271,647 -0.202,648 -0.27,649 -0.104,650 -0.253,651 -0.279,652 0.166,653 -0.069,654 0.158,655 -0.335,656 0.089,657 2.06,658 4.59,659 0.692,660 15.893,661 0.994,662 1.123,663 3.763,664 14.163,665 0.638,666 3.401,667 3.871,668 4.248,669 4.615,670 4.905,671 5.182,672 5.347,673 5.509,674 5.606,675 5.666,676 4.638,677 0.597,678 356.5,679 3.401,680 5.03,681 5.953,682 6.921,683 7.865,684 8.839,685 9.791,686 10.767,687 11.723,688 12.699,703 2,704 1,707 1,709 5,711 10,712 1,728 2,731 54,733 11,734 1,735 29,737 57,738 22,739 8,740 5,741 1,742 1,746 4,747 10,752 4,753 2,754 2,755 5,756 2,758 5,761 9,762 13,763 2,766 1,771 1,773 1,780 1,781 28,782 4,783 2,784 4,794 0.25,795 4,811 1,812 2,813 1,815 1,816 1,817 1,840 1,844 4,848 26,853 2,854 5,858 2,860 2,870 7.4,872 2,873 1,875 1,877 14.5,878 10.817,879 5.444,880 3.593,881 2.238,882 1.28,883 0.903,884 3.965,885 10.232,886 3.584,887 4.252,888 4.912,889 5.582,890 6.162,891 6.659,892 7.099,893 7.469,894 7.629,895 7.806,896 0.8,897 58,898 9.76,900 4.447,901 7.763,902 18.997,904 17.268,905 2.263,906 58.833,910 306.049,911 88.103,914 120.019,917 88.103,918 426.068,920 35.301,921 12.673,922 9.476,923 133.707,924 18.451,925 10.285,926 294.278,928 306.049,929 88.103,930 120.019,933 306.049,934 120.019,937 47.973,938 28.705,939 11.424,941 306.049,942 120.019,943 88.103,946 306.049,947 31.902,948 56.201,950 120.019,951 306.049,952 120.019,953 88.103,955 0.618,956 0.389,957 0.215,958 0.119,959 27,960 13,961 0.018,962 1,963 3,964 1.333,965 3.331,966 256.195,967 0.333,968 18,969 120.211,974 17.91,975 5.756,976 2.394,977 1.203,978 120.019,979 1.585,982 6.221,984 1.477,986 85.367,987 514.171,988 35,993 11.59,995 0.579,999 53.68,1000 60.65,1001 0.225,1002 0.557,1003 0.735,1004 0.874,1005 0.881,1006 0.881,1007 4.938,1008 1.341,1009 6.061,1010 4.797,1011 4.554,1012 4.938,1014 7.088,1015 4.541,1016 6.218,1017 1.082,1018 7.773,1019 3.492,1020 4.635,1021 5.13,1023 8.62,1024 4.611,1025 7.613,1026 0.77,1027 9.598,1028 3.16,1029 6.435,1030 7.257,1032 11.772,1033 6.415,1034 9.045,1035 0.714,1036 11.49,1037 1.917,1038 7.273,1039 8.221,1041 14.072,1042 7.248,1043 10.509,1044 0.083,1045 13.424,1046 1.427,1047 8.679,1048 9.945,1050 16.889,1051 8.657,1052 11.995,1053 -0.127,1054 15.388,1055 0.222,1056 9.799,1057 11.234,1059 19.462,1060 9.776,1061 13.499,1062 -0.26,1063 17.373,1064 -0.263,1065 11.105,1066 12.832,1068 22.204,1069 11.084,1070 3.773,1071 -0.381,1072 19.376,1073 -0.593,1074 12.332,1075 14.266,1077 24.879,1078 12.311,1079 3.298,1080 15.637,1081 21.392,1082 -0.952,1083 13.62,1084 15.826,1086 27.611,1087 13.601,1088 2.993,1089 12.218,1090 23.419,1091 4.775,1092 14.89,1093 17.326,1095 30.325,1096 14.872,1097 2.652,1098 10.793,1099 25.455,1100 3.903,1101 16.183,1102 18.877,1104 33.061,1105 16.166,1106 2.287,1107 9.08,1108 27.499,1109 3.47,1110 17.473,1111 20.408,1113 35.793,1114 17.457,1115 2.088,1116 7.45,1117 29.55,1118 3.018,1119 18.773,1120 21.96,1122 38.533,1123 18.758,1124 1.629,1125 6.565,1126 31.606,1127 2.783,1128 20.075,1129 23.505,1131 41.273,1132 20.061,1133 5905,1134 9035,1135 18.205,1136 34.478,1137 46.159,1138 47.726,1139 49.191,1140 45.473,1141 45.423,1142 54.461,1144 153.518,1145 45.083,1146 5.928,1147 5.917,1148 7.6,1149 5.773,1150 5.773,1151 7.775,1153 24.755,1154 5.773,1155 16.218,1156 1.592,1157 1.646,1158 1.696,1159 1.568,1160 1.566,1161 1.878,1163 5.294,1164 1.555,1165 4.183,1166 4.19,1167 4.152,1168 4.1,1169 7.453,1170 4.109,1171 3.91,1172 3.94,1173 3.821,1174 3.823,1175 6.528,1176 3.819,1177 3.649,1178 3.698,1179 3.535,1180 3.534,1181 6.401,1182 3.525,1183 3.466,1184 3.526,1185 3.323,1186 3.343,1187 5.049,1188 3.329,1189 3.283,1190 3.341,1191 3.163,1192 3.107,1193 4.397,1194 3.107,1195 3.26,1196 3.314,1197 3.142,1198 3.099,1199 4.116,1200 3.084,1201 3.214,1202 3.228,1203 3.029,1204 2.993,1205 4.005,1206 3.018,1207 3.044,1208 3.14,1209 2.772,1210 2.829,1211 3.903,1212 2.803,1213 0.17,1214 0.135,1215 0.279,1216 0.165,1217 0.13,1218 4.928,1219 0.165,1220 3.917,1222 8.095,1223 0.539,1224 4.773,1225 0.13,1226 3.773,1227 4.775,1229 15.637,1230 3.773,1231 2.006,1232 1.982,1233 2.157,1234 2.096,1235 1.583,1236 2.117,1237 1.883,1238 1.865,1239 1.973,1240 1.991,1241 1.3,1242 1.976,1243 1.746,1244 1.71,1245 1.929,1246 1.895,1247 1.142,1248 1.913,1249 1.493,1250 1.434,1251 1.764,1252 1.665,1253 0.981,1254 1.703,1255 1.351,1256 1.282,1257 1.653,1258 1.547,1259 0.944,1260 1.586,1261 1.15,1262 1.116,1263 1.521,1264 1.396,1265 0.673,1266 1.428,1267 1.116,1268 1.02,1269 1.417,1270 1.371,1271 0.469,1272 1.377,1273 0.934,1274 0.901,1275 1.356,1276 1.239,1277 0.421,1278 1.308,1279 4.078,1281 5.509,1282 2.398,1283 7.143,1284 4.949,1285 8.874,1286 7.273,1287 10.658,1289 9.24,1294 20.334,1295 5.656,1299 0.767,1301 0.182,1305 32.234,1306 70.05,1307 173.115,1308 228.525,1309 271.744,1310 273.744,1311 273.744,1312 62.667,1313 7.994,1314 70.67,1315 70.67,1316 24,1317 13.175,1318 3.585,1319 2.807,1320 37.511,1321 72,1322 71,1323 0.27,1324 193.576,1325 339.88,1326 464.086,1327 29534,1329 18.853,1330 0.725,1331 0.618,1332 18.853,1333 16.056,1334 12.203,1335 0.421,1336 0.334,1337 9.6,1338 11.881,1339 9.189,1340 7.627,1341 12.203,1342 9.674,1343 12.352,1344 0.263,1345 0.198,1346 12.352,1347 9.284,1348 10.934,1349 0.158,1350 0.105,1351 10.934,1352 7.25,1353 9.657,1354 0.097,1355 0.06,1356 9.657,1357 5.974,1358 7.679,1359 0.057,1360 0.032,1361 7.679,1362 4.275,1363 0.391,1364 75.898,1365 0.234,1366 23.559,1367 0.856,1368 152,1369 365.77,1370 161.854,1371 351.353,1372 482.26,1373 326,1374 192,1375 361.061,1376 203.074,1377 367.975,1378 550.53,1379 345,1380 7}
{0 CHEMBL1630538,1 1.414,2 7.077,3 3.641,4 13.259,5 106.495,6 7.988,8 4.058,9 4.162,10 3.68,11 3.634,12 5.044,13 3.579,14 4.691,15 4.853,16 4.235,17 4.154,18 5.642,19 4.086,20 5.118,21 5.285,22 4.624,23 4.487,24 6.157,25 4.399,26 5.431,27 5.661,28 4.621,29 4.638,30 6.328,31 4.502,32 5.48,33 5.725,34 4.439,35 4.615,36 6.327,37 4.436,38 5.408,39 5.696,40 4.463,41 4.482,42 6.295,43 4.275,44 5.17,45 5.411,46 4.074,47 4.173,48 6.184,49 3.943,50 4.756,51 5.06,52 3.661,53 3.566,54 5.784,55 3.318,56 0.043,57 0.683,58 11.34,59 5.901,60 13.688,61 7.447,62 0.173,63 1.233,64 24.637,65 10.985,66 27.756,67 14.173,68 0.373,69 1.829,70 44.005,71 16.478,72 70.641,73 21.057,74 0.604,75 2.36,76 61.775,77 21.739,78 89.456,79 28.541,80 0.703,81 2.432,82 70.665,83 22.83,84 97.948,85 30.17,86 0.633,87 2.183,88 73.161,89 21.843,90 116.311,91 29.051,92 0.75,93 1.577,94 85.506,95 17.525,96 107.412,97 20.66,98 0.59,99 0.96,100 52.455,101 10.683,102 95.023,103 12.994,104 65,105 49,106 0.239,107 0.536,108 0.707,109 0.839,110 0.851,111 0.851,112 3.308,113 1.069,114 -5.35,115 -5.23,116 -4.89,117 1,119 39.6,120 4,121 5,122 2,123 2,131 1,135 1,136 2,138 3,156 1,172 16,175 3,178 1,180 3,183 24,187 7,190 1,192 5,195 30,198 1,199 5,204 7,207 30,212 3,215 1,217 4,220 18,224 5,227 1,228 1,229 7,232 12,237 5,242 5,245 3,250 3,255 3,258 3,263 3,275 834,276 16.382,277 16.382,278 16.382,279 16.382,280 16.382,281 15.562,282 13.401,283 8.622,284 16.531,285 14.167,286 14.167,287 14.167,288 14.167,289 14.167,290 12.788,291 19.414,292 3.954,293 14.499,294 4.314,295 2.559,296 1.552,297 0.774,298 0.698,299 0.698,300 3.986,304 1,305 1,306 394,307 3.606,310 27.352,311 82.705,312 43.94,314 57.057,315 59.965,316 74.172,318 1.018,319 38.204,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 55.75,331 184,332 5.007,333 4.284,334 8.296,335 4.882,336 3.886,337 4.363,338 1.824,339 16.497,340 3.872,341 4.538,342 3.721,343 7.658,344 4.446,345 3.453,346 3.765,347 0.472,348 13.717,349 3.43,350 4.307,351 3.612,352 6.915,353 4.005,354 3.041,355 3.425,357 10.922,358 2.917,359 3.919,360 3.036,361 6.678,362 3.889,363 2.89,364 2.966,366 10.517,367 2.873,368 3.639,369 2.83,370 5.944,371 3.304,372 2.313,373 2.847,375 7.779,376 2.288,377 3.449,378 2.377,379 5.51,380 2.941,381 2.029,382 2.553,384 6.417,385 1.806,386 2.81,387 1.979,388 5.032,389 2.761,390 1.761,391 1.801,393 5.003,394 1.733,395 2.504,396 1.766,397 4.686,398 2.405,399 1.404,400 1.422,402 3.731,403 1.405,404 2.383,405 1.606,406 4.502,407 2.034,408 1.08,409 1.282,411 3.343,412 1.012,413 1.908,414 1.433,415 3.603,416 1.79,417 0.796,418 0.843,420 1.999,421 0.787,422 1.673,423 0.899,424 3.476,425 1.199,426 0.349,427 0.438,428 0.819,429 0.212,430 1.155,431 0.437,432 3.259,433 1.09,434 0.116,435 0.118,436 0.324,437 0.113,438 0.915,439 -0.027,440 3.235,441 0.852,442 -0.133,443 -0.135,445 -0.349,446 -0.13,447 0.748,448 -0.057,449 2.985,450 0.679,451 -0.31,452 -0.319,454 -0.819,455 -0.305,456 0.414,457 -0.253,458 2.825,459 0.25,460 -0.698,461 -0.734,463 -2.163,464 -0.596,465 13.167,466 0.506,467 1.237,468 0.048,469 21.75,470 0.837,471 6,472 0.231,473 15.75,474 0.606,475 41.914,476 1.612,477 29.433,478 0.555,479 12.578,480 0.484,481 2.766,482 0.106,483 9.255,484 0.356,485 0.329,486 0.114,487 0.304,493 0.801,494 1.104,495 0.535,496 0.922,497 0.819,498 0.967,499 0.558,500 0.993,501 0.491,502 0.829,503 0.482,504 0.824,505 0.711,506 1.2,507 0.63,508 1.066,509 0.614,510 1.061,511 0.8,512 1.035,513 0.531,514 0.893,515 0.673,516 0.963,517 0.816,518 1.106,519 0.667,520 1.007,521 0.72,522 1.101,523 0.533,524 0.933,525 0.763,526 0.866,527 0.444,528 0.878,529 1.65,530 1.058,531 2.075,532 1.355,533 1.576,534 1.245,535 1.646,536 0.599,537 1.479,538 0.788,539 2.137,540 0.735,541 9,543 6.222,544 4.917,545 3.551,546 1.963,547 0.974,548 0.435,549 0.188,550 0.016,551 5776,552 14242,553 1.983,554 50.9,555 23,556 1,559 2,562 1,564 1.704,565 1.743,566 2.792,567 0.213,569 1,573 74.959,574 1.414,575 3.169,576 4.176,577 4.954,578 5.029,579 5.029,580 2.261,581 4.47,582 4.677,583 2.912,584 946.281,585 8.175,586 10741.7,588 1,590 1,591 303.58,592 1.916,593 4.547,594 0.31,596 0.127,597 0.081,598 0.059,599 0.042,600 0.023,601 0.02,602 0.016,603 0.005,604 0.683,605 0.33,606 1,607 0.704,608 119.585,609 -0.063,610 0.095,611 0.001,612 0.076,613 -0.103,614 0.074,615 0.147,616 0.13,617 0.083,618 0.137,619 0.129,620 0.2,621 0.122,622 -0.108,623 0.061,624 -0.093,625 0.142,626 -0.052,627 0.042,628 -0.024,629 0.058,630 0.008,631 0.046,632 0.01,633 0.004,634 -0.12,635 -0.012,636 -0.102,637 -0.031,638 -0.131,639 0.164,640 0.002,641 0.094,642 0.068,643 0.186,644 0.105,645 -0.27,646 -0.155,647 -0.251,648 -0.214,649 -0.23,650 -0.264,651 -0.199,652 0.221,653 -0.006,654 0.215,655 -0.239,656 0.192,657 2.679,658 5.698,659 0.692,660 14.941,661 0.998,662 1.122,663 4.12,664 16.976,665 0.657,666 3.401,667 3.912,668 4.29,669 4.654,670 4.949,671 5.231,672 5.38,673 5.525,674 5.591,675 5.628,676 4.476,677 0.609,678 423.38,679 3.401,680 5.056,681 5.989,682 6.973,683 7.928,684 8.917,685 9.88,686 10.873,687 11.84,688 12.832,731 53,733 4,735 29,736 1,737 56,738 21,742 7,743 1,746 4,747 10,752 4,753 2,754 2,755 6,756 2,758 6,761 7,762 14,763 2,765 1,766 4,771 1,773 1,775 6,778 1,781 27,782 4,783 2,784 5,785 1,794 0.25,795 4,811 1,812 2,813 1,815 1,816 1,817 1,824 1,831 4,832 2,838 2,839 1,840 1,843 1,844 4,848 26,853 2,854 5,856 1,858 2,860 3,869 1,870 7.5,871 1,872 1,873 1,874 1,877 14.917,878 10.626,879 5.264,880 3.532,881 1.229,882 1.154,883 0.885,884 4.035,885 9.199,886 3.526,887 4.143,888 4.691,889 5.193,890 5.694,891 6.114,892 6.413,893 6.644,894 6.735,895 6.802,896 0.8,897 61,898 9.844,900 4.615,901 7.776,902 19.013,904 17.523,905 2.276,906 59.167,909 1,910 294.278,911 77.253,912 45.954,914 121.512,917 123.207,918 415.789,920 35.301,921 12.673,922 52.16,923 92.26,924 6.371,926 294.278,927 45.954,928 294.278,929 77.253,930 121.512,932 45.954,933 282.506,934 79.599,935 53.683,937 47.973,938 11.505,939 17.775,940 45.954,941 294.278,942 121.512,943 123.207,946 294.278,947 32.476,948 44.777,949 45.954,950 121.512,951 294.278,952 121.512,953 123.207,955 0.635,956 0.397,957 0.209,958 0.115,959 29,960 14,963 3,964 1.333,965 3.261,966 261.462,967 0.333,968 18,969 120.211,974 18.615,975 5.635,976 2.372,978 121.512,986 85.367,987 538.996,988 33,993 12.186,995 1.498,997 1.325,999 52.909,1000 59.492,1001 0.247,1002 0.553,1003 0.729,1004 0.865,1005 0.878,1006 0.878,1007 4.942,1008 1.404,1009 6.133,1010 5.003,1011 4.595,1012 4.828,1013 1.977,1014 7.203,1015 4.554,1016 6.236,1017 1.08,1018 7.88,1019 3.731,1020 4.796,1021 5.056,1022 1.391,1023 8.865,1024 4.75,1025 7.655,1026 0.796,1027 9.742,1028 3.343,1029 6.55,1030 7.022,1031 2.766,1032 12.03,1033 6.496,1034 9.104,1035 0.349,1036 11.672,1037 1.999,1038 7.474,1039 7.959,1040 2.812,1041 14.423,1042 7.418,1043 10.584,1044 0.116,1045 13.643,1046 0.819,1047 8.876,1048 9.556,1049 3.771,1050 17.275,1051 8.817,1052 12.084,1053 -0.133,1054 15.641,1055 0.324,1056 10.051,1057 10.771,1058 4.116,1059 19.915,1060 9.991,1061 13.6,1062 -0.31,1063 17.66,1064 -0.349,1065 11.373,1066 12.259,1067 4.884,1068 22.701,1069 11.312,1070 3.886,1071 -0.698,1072 19.694,1073 -0.819,1074 12.639,1075 13.597,1076 5.365,1077 25.429,1078 12.576,1079 3.453,1080 16.497,1081 21.74,1082 -2.163,1083 13.951,1084 15.054,1085 6.045,1086 28.207,1087 13.888,1088 3.041,1089 13.717,1090 23.795,1091 4.363,1092 15.253,1093 16.452,1094 6.59,1095 30.972,1096 15.188,1097 2.89,1098 10.922,1099 25.858,1100 3.765,1101 16.572,1102 17.903,1103 7.229,1104 33.754,1105 16.506,1106 2.313,1107 10.517,1108 27.928,1109 3.425,1110 17.891,1111 19.331,1112 7.803,1113 36.535,1114 17.824,1115 2.029,1116 7.779,1117 30.003,1118 2.966,1119 19.219,1120 20.784,1121 8.423,1122 39.323,1123 19.15,1124 1.761,1125 6.417,1126 32.083,1127 2.847,1128 20.549,1129 22.229,1130 9.01,1131 42.112,1132 20.479,1133 5728,1134 9243,1135 17.8,1136 34.83,1137 47.273,1138 48.777,1139 50.252,1140 46.239,1141 46.238,1142 51.647,1143 4.591,1144 162.137,1145 44.895,1146 6.007,1147 6.284,1148 7.661,1149 5.918,1150 5.886,1151 7.18,1152 3.11,1153 25.898,1154 5.872,1155 17.043,1156 1.63,1157 1.682,1158 1.733,1159 1.594,1160 1.594,1161 1.781,1162 0.158,1163 5.591,1164 1.548,1165 4.103,1166 4.123,1167 6.88,1168 4.03,1169 7.429,1170 4.029,1171 3.857,1172 3.876,1173 4.025,1174 3.777,1175 6.463,1176 3.769,1177 3.653,1178 3.698,1179 3.742,1180 3.534,1181 6.451,1182 3.523,1183 3.457,1184 3.518,1185 3.525,1186 3.338,1187 4.723,1188 3.32,1189 3.278,1190 3.348,1191 3.306,1192 3.112,1193 4.387,1194 3.096,1195 3.233,1196 3.281,1197 3.129,1198 3.05,1199 4.072,1200 3.05,1201 3.067,1202 3.132,1203 3.039,1204 2.997,1205 4.011,1206 2.95,1207 2.995,1208 3.024,1209 2.81,1210 2.802,1211 3.844,1212 2.776,1213 0.173,1214 0.148,1215 0.286,1216 0.168,1217 0.134,1218 5.007,1219 0.15,1220 4.284,1221 0.063,1222 8.296,1223 0.569,1224 4.882,1225 0.134,1226 3.886,1227 4.363,1228 1.824,1229 16.497,1230 3.872,1231 1.992,1232 1.961,1233 2.155,1234 2.089,1235 1.584,1236 2.113,1237 1.808,1238 1.792,1239 1.96,1240 1.915,1241 1.316,1242 1.928,1243 1.711,1244 1.682,1245 1.834,1246 1.863,1247 1.089,1248 1.854,1249 1.482,1250 1.425,1251 1.729,1252 1.657,1253 0.961,1254 1.691,1255 1.347,1256 1.278,1257 1.645,1258 1.547,1259 0.887,1260 1.584,1261 1.119,1262 1.028,1263 1.521,1264 1.373,1265 0.675,1266 1.429,1267 1.042,1268 1.006,1269 1.417,1270 1.301,1271 0.469,1272 1.308,1273 0.934,1274 0.894,1275 1.268,1276 1.239,1277 0.408,1278 1.293,1279 4.078,1281 5.541,1282 2.398,1283 7.203,1284 5.043,1285 8.958,1286 7.434,1287 10.763,1288 3.286,1289 8.919,1294 21.862,1295 5.158,1297 6.1,1299 0.324,1301 -1.49,1305 32.26,1306 74.959,1307 167.931,1308 221.341,1309 262.56,1310 266.56,1311 266.56,1312 70.014,1313 7.971,1314 66.76,1315 66.76,1316 24,1317 13.3,1318 2.322,1319 2.322,1320 37.457,1321 69,1322 70,1323 0.281,1324 198.825,1325 366.3,1326 476.894,1327 28309,1328 1.9,1329 19.069,1330 0.733,1331 0.671,1332 20.069,1333 17.442,1334 12.021,1335 0.415,1336 0.356,1337 9.519,1338 11.233,1339 9.068,1340 7.482,1341 12.599,1342 10.336,1343 12.825,1344 0.262,1345 0.208,1346 13.492,1347 10.173,1348 11.411,1349 0.158,1350 0.113,1351 12.365,1352 8.12,1353 9.716,1354 0.093,1355 0.063,1356 10.41,1357 6.591,1358 7.661,1359 0.055,1360 0.033,1361 8.183,1362 4.684,1363 0.404,1364 82.916,1365 0.237,1366 23.395,1367 0.909,1368 156,1369 376.425,1370 233.939,1371 397.246,1372 533.15,1373 366,1374 199,1375 373.703,1376 255.393,1377 391.03,1378 596.09,1379 367,1380 5.481}
{0 CHEMBL1630539,1 1.366,2 7.04,3 6.358,4 40.42,5 102.389,6 7.834,7 0.357,8 4.035,9 4.143,10 3.646,11 3.622,12 5.001,13 3.558,14 4.65,15 4.823,16 4.168,17 4.136,18 5.493,19 4.052,20 5.042,21 5.223,22 4.548,23 4.436,24 5.992,25 4.331,26 5.321,27 5.548,28 4.535,29 4.596,30 6.139,31 4.439,32 5.388,33 5.648,34 4.285,35 4.562,36 6.129,37 4.37,38 5.326,39 5.603,40 4.365,41 4.439,42 6.037,43 4.227,44 5.065,45 5.31,46 4.257,47 4.189,48 6.005,49 3.952,50 4.887,51 5.169,52 3.402,53 3.675,54 5.906,55 3.373,56 0.057,57 0.665,58 11.524,59 5.777,60 11.19,61 7.447,62 0.087,63 1.197,64 24.202,65 10.75,66 15.355,67 14.121,68 0.382,69 1.715,70 42.692,71 15.639,72 54.517,73 20.37,74 0.51,75 2.183,76 58.381,77 20.452,78 56.177,79 26.941,80 0.429,81 2.298,82 61.458,83 21.634,84 52.114,85 29.215,86 0.486,87 2.054,88 64.235,89 20.233,90 54.422,91 26.507,92 0.358,93 1.527,94 72.487,95 17.069,96 55.042,97 20.635,98 0.706,99 1.086,100 80.208,101 13.315,102 93.659,103 14.932,104 50,105 46,106 0.231,107 0.523,108 0.697,109 0.838,110 0.845,111 0.845,112 3.271,113 1.09,114 -5.48,115 -5.36,116 -5.01,117 1,119 40.4,120 4,121 5,122 2,123 2,142 1,143 2,144 3,152 2,172 16,175 3,180 1,183 24,187 5,191 1,192 3,195 31,199 3,202 1,204 3,207 28,212 5,215 1,217 2,220 18,224 1,229 6,232 12,242 12,245 6,255 6,258 1,268 1,275 773,276 16.078,277 16.078,278 16.078,279 16.078,280 16.078,281 14.833,282 12.663,283 8.592,284 16.244,285 13.67,286 13.67,287 13.67,288 13.67,289 13.67,290 11.722,291 9.82,292 3.928,293 14.059,294 4.334,295 2.609,296 1.582,297 0.75,298 0.712,299 0.712,300 3.952,305 1,306 378,307 3.24,310 30.923,311 148.579,314 127.727,318 0.928,319 26.568,322 0.75,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.94,330 52.75,331 176,332 5.054,333 4.098,334 8.757,335 4.964,336 3.964,337 4.777,339 17.944,340 3.963,341 4.606,342 3.445,343 7.01,344 4.218,345 3.247,346 3.997,348 11.681,349 3.16,350 4.091,351 3.079,352 6.509,353 3.784,354 2.823,355 3.495,357 9.691,358 2.686,359 3.569,360 2.518,361 6.134,362 3.399,363 2.4,364 2.876,366 8.235,367 2.398,368 3.49,369 2.515,370 5.778,371 3.266,372 2.287,373 2.765,375 7.434,376 2.224,377 3.349,378 2.331,379 5.453,380 2.989,381 2.056,382 2.401,384 6.399,385 1.893,386 2.792,387 1.83,388 4.945,389 2.714,390 1.732,391 1.812,393 4.719,394 1.667,395 2.644,396 1.493,397 4.616,398 2.411,399 1.417,400 1.665,402 4.125,403 1.405,404 2.328,405 1.2,406 4.134,407 2.014,408 1.043,409 1.284,411 2.877,412 0.995,413 1.872,414 1.171,415 3.768,416 1.786,417 0.805,418 0.855,420 1.963,421 0.777,422 1.514,423 0.871,424 3.315,425 1.169,426 0.358,427 0.392,428 0.823,429 0.229,430 1.18,431 0.18,432 3.211,433 0.98,434 0.061,435 0.065,436 0.148,437 0.054,438 1.008,439 -0.043,440 3.137,441 0.724,442 -0.242,443 -0.275,445 -0.649,446 -0.224,447 0.708,448 -0.292,449 2.904,450 0.681,451 -0.301,452 -0.326,454 -0.752,455 -0.298,456 0.235,457 -0.585,458 2.603,460 -1,461 -1,463 -2.837,464 -0.753,465 12.833,466 0.513,467 1.054,468 0.042,469 24,470 0.96,471 9,472 0.36,473 15,474 0.6,475 37.235,476 1.489,477 27.967,478 0.538,479 12.748,480 0.51,481 3.117,482 0.125,483 8.587,484 0.343,485 0.312,486 0.078,487 0.351,493 0.887,494 1.081,495 0.538,496 0.904,497 0.971,498 0.962,499 0.586,500 0.977,501 0.499,502 0.817,503 0.461,504 0.827,505 0.609,506 1.125,507 0.634,508 1.013,509 0.508,510 1.013,511 0.724,512 1.064,513 0.67,514 0.961,515 0.574,516 1.031,517 0.541,518 1.115,519 0.585,520 0.986,521 0.408,522 1.06,523 0.917,524 0.928,525 0.744,526 0.841,527 0.623,528 0.918,529 1.158,530 1.26,531 1.929,532 1.435,533 1.292,534 1.277,535 2.403,536 0.755,537 2.692,538 1.336,539 2.969,540 1.083,541 7,543 5.778,544 3.882,545 3.062,546 1.824,547 1.029,548 0.43,549 0.078,550 0.016,551 5304,552 12005,553 2.015,554 51.9,555 23,556 1,559 2,560 1,564 1.694,565 1.786,566 2.76,567 0.194,573 71.047,574 1.366,575 3.092,576 4.119,577 4.95,578 4.989,579 4.989,580 2.163,581 4.404,582 4.62,583 2.88,584 864,585 8.06,586 9664.53,591 296.423,592 1.851,593 4.507,594 0.25,596 0.126,597 0.069,598 0.057,599 0.041,600 0.028,601 0.017,602 0.01,603 0.016,604 0.612,605 0.67,606 0.88,607 0.7,608 113.666,609 -0.065,610 0.096,611 0.002,612 0.076,613 -0.101,614 0.075,615 0.059,616 0.133,617 0.077,618 0.14,619 0.106,620 0.199,621 0.194,622 -0.047,623 0.079,624 -0.044,625 0.217,626 -0.001,627 0.062,628 -0.041,629 0.026,630 -0.025,631 0.054,632 -0.043,633 0.088,634 -0.123,636 -0.091,637 0.064,638 -0.084,639 -0.041,640 0.021,641 0.06,642 0.082,643 -0.028,644 0.044,645 -0.065,646 -0.32,647 -0.131,648 -0.271,649 -0.042,650 -0.26,651 -0.394,652 0.062,653 -0.348,654 -0.125,655 -0.395,656 -0.132,657 1.809,658 4.245,659 0.72,660 14.797,661 0.992,662 1.121,663 4.254,664 18.097,665 0.661,666 3.367,667 3.85,668 4.263,669 4.615,670 4.934,671 5.17,672 5.313,673 5.442,674 5.501,675 5.485,676 4.418,677 0.607,678 407.38,679 3.367,680 5.004,681 5.943,682 6.915,683 7.88,684 8.858,685 9.831,686 10.812,687 11.788,688 12.77,703 2,704 1,707 1,709 5,711 10,728 2,730 1,731 52,733 10,734 1,735 28,736 1,737 55,738 21,739 8,740 5,741 1,746 4,747 7,752 4,753 2,754 2,755 5,756 2,758 5,761 8,762 13,763 2,780 1,781 27,782 3,783 2,784 4,785 1,794 0.25,795 3,811 1,812 3,815 2,840 1,843 1,844 4,848 25,853 2,854 5,858 2,860 2,869 1,870 5.8,872 2,875 1,877 14,878 10.46,879 5.174,880 3.552,881 2.122,882 1.272,883 0.913,884 4.012,885 9.909,886 3.526,887 4.223,888 4.889,889 5.545,890 6.137,891 6.622,892 7.031,893 7.409,894 7.547,895 7.633,896 0.8,897 56,898 9.368,900 4.236,901 7.603,902 18.515,904 16.926,905 2.103,906 52.583,910 294.278,911 76.548,912 45.954,914 94.874,917 122.502,918 389.152,920 35.301,921 12.673,922 9.476,923 85.367,924 18.321,925 10.285,926 294.278,927 45.954,928 294.278,929 76.548,930 94.874,932 45.954,933 294.278,934 94.874,937 47.973,938 28.575,940 45.954,941 294.278,942 94.874,943 122.502,946 294.278,947 31.771,948 44.777,949 45.954,950 94.874,951 294.278,952 94.874,953 122.502,955 0.626,956 0.402,957 0.216,958 0.121,959 27,960 13,963 2,964 1.278,965 3.25,966 244.92,967 0.222,968 19,969 114.096,974 17.724,975 5.659,976 2.207,977 1.632,978 94.874,979 1.703,982 6.321,984 2.567,986 85.367,987 511.654,988 33,999 51.581,1000 58.283,1001 0.24,1002 0.542,1003 0.723,1004 0.868,1005 0.875,1006 0.875,1007 4.894,1008 1.417,1009 6.057,1010 4.719,1011 4.533,1012 4.909,1014 7.116,1015 4.484,1016 6.184,1017 1.043,1018 7.794,1019 4.125,1020 4.635,1021 5.13,1023 8.786,1024 4.569,1025 7.592,1026 0.805,1027 9.656,1028 2.877,1029 6.438,1030 7.243,1032 12.014,1033 6.375,1034 9.04,1035 0.358,1036 11.596,1037 1.963,1038 7.327,1039 8.233,1041 14.534,1042 7.258,1043 10.525,1044 0.061,1045 13.592,1046 0.823,1047 8.761,1048 9.953,1050 17.475,1051 8.699,1052 12.035,1053 -0.242,1054 15.628,1055 0.148,1056 9.948,1057 11.259,1059 20.259,1060 9.888,1061 13.565,1062 -0.301,1063 17.695,1064 -0.649,1065 11.302,1066 12.856,1068 23.149,1069 11.249,1070 3.964,1071 -1,1072 19.786,1073 -0.752,1074 12.597,1075 14.297,1077 26.006,1078 12.549,1079 3.247,1080 17.944,1081 21.896,1082 -2.837,1083 13.944,1084 15.856,1086 28.891,1087 13.902,1088 2.823,1089 11.681,1090 24.02,1091 4.777,1092 15.281,1093 17.358,1095 31.769,1096 15.243,1097 2.4,1098 9.691,1099 26.155,1100 3.997,1101 16.635,1102 18.908,1104 34.654,1105 16.602,1106 2.287,1107 8.235,1108 28.298,1109 3.495,1110 17.99,1111 20.438,1113 37.538,1114 17.96,1115 2.056,1116 7.434,1117 30.447,1118 2.876,1119 19.351,1120 21.989,1122 40.424,1123 19.325,1124 1.732,1125 6.399,1126 32.601,1127 2.765,1128 20.715,1129 23.533,1131 43.31,1132 20.692,1133 5252,1134 8129,1135 17.512,1136 34.375,1137 44.695,1138 45.552,1139 48.552,1140 44.328,1141 44.388,1142 52.771,1144 152.076,1145 42.901,1146 6.054,1147 6.098,1148 8.224,1149 5.964,1150 5.964,1151 7.777,1153 27.326,1154 5.963,1155 15.655,1156 1.596,1157 1.627,1158 1.734,1159 1.583,1160 1.585,1161 1.885,1163 5.431,1164 1.532,1165 4.186,1166 4.193,1167 6.881,1168 4.113,1169 6.529,1170 4.117,1171 3.893,1172 3.922,1173 4.119,1174 3.816,1175 6.401,1176 3.806,1177 3.652,1178 3.699,1179 3.774,1180 3.547,1181 5.062,1182 3.532,1183 3.435,1184 3.515,1185 3.514,1186 3.296,1187 4.398,1188 3.272,1189 3.262,1190 3.332,1191 3.236,1192 3.117,1193 4.14,1194 3.103,1195 3.246,1196 3.265,1197 3.173,1198 3.062,1199 3.985,1200 3.062,1201 3.071,1202 3.179,1203 3.04,1204 2.912,1205 3.937,1206 2.866,1207 2.959,1208 3.009,1209 2.791,1210 2.863,1211 3.751,1212 2.825,1213 0.181,1214 0.146,1215 0.313,1216 0.177,1217 0.142,1218 5.054,1219 0.171,1220 4.098,1222 8.757,1223 0.641,1224 4.964,1225 0.142,1226 3.964,1227 4.777,1229 17.944,1230 3.963,1231 2.042,1232 2.016,1233 2.184,1234 2.126,1235 1.616,1236 2.147,1237 1.856,1238 1.851,1239 1.944,1240 1.956,1241 1.279,1242 1.94,1243 1.712,1244 1.664,1245 1.881,1246 1.865,1247 1.093,1248 1.893,1249 1.471,1250 1.397,1251 1.78,1252 1.66,1253 1.013,1254 1.706,1255 1.282,1256 1.206,1257 1.617,1258 1.489,1259 0.873,1260 1.537,1261 1.129,1262 1.096,1263 1.518,1264 1.373,1265 0.691,1266 1.427,1267 1.101,1268 1.015,1269 1.417,1270 1.315,1271 0.469,1272 1.308,1273 0.934,1274 0.914,1275 1.222,1276 1.239,1277 0.431,1278 1.287,1279 4.043,1281 5.485,1282 2.398,1283 7.146,1284 4.844,1285 8.916,1286 7.111,1287 10.744,1288 3.43,1289 9.407,1294 20.376,1295 5.99,1299 0.923,1301 0.234,1305 31.545,1306 71.047,1307 160.774,1308 214.184,1309 257.403,1310 259.403,1311 259.403,1312 53.408,1313 7.787,1314 53.6,1315 53.6,1316 23,1317 13.241,1318 3.459,1319 2.585,1320 35.363,1321 65,1322 66,1323 0.28,1324 194.829,1325 335.71,1326 467.143,1327 22152,1328 1.9,1329 18.146,1330 0.726,1331 0.681,1332 19.146,1333 17.034,1334 11.704,1335 0.418,1336 0.363,1337 9.368,1338 10.966,1339 8.917,1340 7.385,1341 12.281,1342 10.17,1343 11.918,1344 0.259,1345 0.21,1346 12.584,1347 9.658,1348 10.98,1349 0.157,1350 0.114,1351 11.934,1352 7.992,1353 9.267,1354 0.093,1355 0.063,1356 9.979,1357 6.349,1358 7.653,1359 0.055,1360 0.034,1361 8.087,1362 4.663,1363 0.402,1364 80.567,1365 0.239,1366 22.68,1367 0.906,1368 148,1369 328.689,1370 222.286,1371 356.092,1372 487.03,1373 330,1374 190,1375 349.067,1376 243.07,1377 367.54,1378 556.11,1379 346,1380 6.155}
{0 CHEMBL1630540,1 1.292,2 7.8,3 6.876,4 47.281,5 105.464,6 7.508,7 0.357,8 4.057,9 4.173,10 3.649,11 3.653,12 4.932,13 3.578,14 4.695,15 4.88,16 4.148,17 4.153,18 5.452,19 4.058,20 5.058,21 5.243,22 4.528,23 4.474,24 5.844,25 4.354,26 5.362,27 5.604,28 4.508,29 4.633,30 6.071,31 4.46,32 5.404,33 5.663,34 4.23,35 4.592,36 6.07,37 4.378,38 5.333,39 5.633,40 4.322,41 4.45,42 5.963,43 4.21,44 5.056,45 5.326,46 3.961,47 4.155,48 5.761,49 3.871,50 4.65,51 4.954,52 3.671,53 3.646,54 5.321,55 3.388,56 0.05,57 0.688,58 12.434,59 6.045,60 9.377,61 8.059,62 0.156,63 1.233,64 26.83,65 11.137,66 15.401,67 14.799,68 0.304,69 1.77,70 44.333,71 16.198,72 28.177,73 21.474,74 0.449,75 2.283,76 59.807,77 21.592,78 39.41,79 28.759,80 0.385,81 2.346,82 67.839,83 22.505,84 39.555,85 29.987,86 0.341,87 2.111,88 64.557,89 20.965,90 38.091,91 27.909,92 0.388,93 1.519,94 77.55,95 17.281,96 37.632,97 21.027,98 0.323,99 0.959,100 45.792,101 10.596,102 26.687,103 12.944,104 38,105 45,106 0.217,107 0.494,108 0.702,109 0.837,110 0.837,111 0.837,112 3.27,113 1.112,114 -6.26,115 -6.1,116 -5.67,117 1,119 40.7,120 4,121 5,122 2,123 2,124 1,142 2,143 2,144 2,152 2,172 17,175 4,183 25,187 7,195 32,198 1,199 6,207 31,212 3,220 22,224 5,232 17,237 5,245 6,250 3,258 3,263 3,275 761,276 16.358,277 16.358,278 16.358,279 16.358,280 16.358,281 15.218,282 14.057,283 8.875,284 16.635,285 13.668,286 13.668,287 13.668,288 13.668,289 13.668,290 11.785,291 12.235,292 4.011,293 14.099,294 4.463,295 2.815,296 1.574,297 0.774,298 0.774,299 0.774,300 3.956,305 1,306 421,307 3.317,310 25.869,311 79.923,312 42.051,314 54.582,315 57.628,316 71.225,318 1.2,319 16.101,322 0.75,323 0.83,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.88,330 51.75,331 195,332 4.918,333 3.917,334 8.095,335 4.771,336 3.772,337 4.737,338 0.86,339 15.635,340 3.77,341 4.526,342 3.408,343 7.182,344 4.259,345 3.271,346 3.825,348 12.156,349 3.237,350 4.132,351 3.178,352 6.662,353 3.892,354 2.933,355 3.411,357 10.444,358 2.812,359 3.758,360 2.848,361 6.197,362 3.607,363 2.625,364 2.879,366 8.857,367 2.558,368 3.521,369 2.459,370 5.699,371 3.215,372 2.253,373 2.781,375 7.302,376 2.129,377 3.164,378 2.129,379 5.191,380 2.71,381 1.757,382 2.418,384 5.435,385 1.662,386 2.77,387 1.661,388 4.759,389 2.62,390 1.626,391 1.798,393 4.543,394 1.6,395 2.417,396 1.373,397 4.38,398 2.339,399 1.342,400 1.414,402 3.442,403 1.337,404 2.205,405 1.305,406 3.964,407 1.824,408 0.883,409 1.106,411 2.404,412 0.797,413 1.877,414 0.977,415 3.427,416 1.702,417 0.726,418 0.827,420 1.843,421 0.695,422 1.757,423 0.743,424 3.309,425 1.469,426 0.628,427 0.693,428 1.173,429 0.481,430 1.146,431 0.427,432 3.222,433 1.024,434 0.042,435 0.044,436 0.105,437 0.039,438 0.966,439 0.041,440 3.031,441 0.769,442 -0.193,443 -0.208,445 -0.388,446 -0.141,447 0.786,448 -0.21,449 2.735,450 0.608,451 -0.263,452 -0.285,454 -0.628,455 -0.246,456 0.613,457 -0.505,458 2.442,459 0.267,460 -0.71,461 -0.86,463 -1.977,464 -0.688,465 13,466 0.52,467 0.965,468 0.039,469 23.5,470 0.94,471 8.5,472 0.34,473 15,474 0.6,475 37.707,476 1.508,477 27.8,478 0.515,479 11.184,480 0.447,481 3.106,482 0.124,483 8.687,484 0.347,485 0.295,486 0.077,487 0.308,493 0.788,494 1.185,495 0.539,496 0.989,497 0.915,498 1.027,499 0.947,500 0.893,501 0.515,502 0.757,503 0.726,504 0.793,505 0.728,506 1.159,507 0.658,508 1.045,509 0.703,510 1.056,511 0.812,512 1.023,513 0.665,514 0.907,515 0.783,516 0.98,517 0.895,518 1.13,519 0.829,520 1.067,521 1.002,522 1.131,523 0.666,524 0.92,525 0.72,526 0.835,527 0.735,528 0.883,529 1.412,530 1.117,531 2.197,532 1.437,533 1.497,534 1.253,535 1.796,536 0.684,537 1.59,538 0.885,539 1.569,540 0.794,541 7,542 0.012,543 5.111,544 3.882,545 2.91,546 1.424,547 0.841,548 0.372,549 0.18,550 0.081,551 5551,552 10974,553 2.038,554 53.7,555 23,556 5,560 1,564 1.691,565 1.829,566 2.89,567 -0.869,573 69.775,574 1.292,575 2.94,576 4.181,577 4.981,578 4.981,579 4.981,580 2.433,581 4.324,582 4.617,583 3.016,584 904.705,585 8.041,586 9994.99,591 310.764,592 1.842,593 4.521,594 0.25,595 0.004,596 0.114,597 0.071,598 0.054,599 0.035,600 0.024,601 0.02,602 0.013,603 0.014,604 0.597,605 0.67,606 0.88,607 0.866,608 114.522,609 0.032,610 -0.012,611 0.013,612 -0.004,613 -0.02,614 0.033,615 0.018,616 0.194,617 0.075,618 0.188,619 0.168,620 0.219,621 0.14,622 -0.078,623 0.066,624 -0.07,625 0.167,626 -0.035,627 0.069,628 -0.01,629 0.031,630 0.024,631 0.101,632 0.001,633 -0.072,634 -0.139,635 -0.066,636 -0.132,637 -0.13,638 -0.156,639 0.043,640 0.026,641 0.086,642 0.09,643 0.073,644 0.078,645 -0.153,646 -0.194,647 -0.22,648 -0.25,649 -0.266,650 -0.241,651 -0.155,652 0.195,653 -0.009,654 0.175,655 -0.127,656 0.151,657 1.054,658 3.012,659 0.72,660 15.728,661 0.984,662 1.12,663 5.035,664 25.349,665 0.661,666 3.367,667 3.829,668 4.205,669 4.564,670 4.844,671 5.112,672 5.263,673 5.438,674 5.533,675 5.583,676 4.642,677 0.599,678 405.41,679 3.367,680 4.99,681 5.911,682 6.874,683 7.816,684 8.786,685 9.735,686 10.708,687 11.661,688 12.635,703 2,704 2,707 1,709 4,711 10,729 1,730 1,731 54,733 10,734 1,735 28,736 1,737 57,738 22,739 8,740 4,741 2,746 4,747 10,752 4,753 2,754 2,755 5,756 2,758 5,761 8,762 14,763 2,780 1,781 29,782 2,784 3,785 1,794 0.25,795 2,811 1,812 2,813 1,815 1,816 1,817 1,840 1,843 1,844 5,848 25,854 5,856 1,858 2,860 2,869 1,870 3.7,875 2,877 13.667,878 11.31,879 5.25,880 3.647,881 2.138,882 1.27,883 0.943,884 4.218,885 10.045,886 3.526,887 4.193,888 4.843,889 5.492,890 6.05,891 6.53,892 6.942,893 7.334,894 7.464,895 7.623,896 1,897 55,898 9.329,900 4.063,901 7.357,902 18.873,904 16.98,905 1.857,906 46.417,907 0.001,910 341.362,911 102.151,912 45.954,914 20.507,917 148.105,918 361.869,920 46.184,921 12.673,922 18.952,924 34.564,925 10.285,926 341.362,927 45.954,928 341.362,929 102.151,930 20.507,932 45.954,933 341.362,934 20.507,937 47.973,938 54.178,940 45.954,941 341.362,942 20.507,943 148.105,946 341.362,947 37.015,948 65.136,949 45.954,950 20.507,951 341.362,952 20.507,953 148.105,955 0.615,956 0.386,957 0.212,958 0.115,959 26,960 12,961 0.018,962 1,963 3,964 1.333,965 3.308,966 240.796,967 0.333,968 18,969 112.096,974 17.761,975 5.937,976 2.496,977 2.239,978 20.507,979 4.285,982 6.512,984 4.484,987 509.974,988 33,999 53.138,1000 60.488,1001 0.225,1002 0.511,1003 0.727,1004 0.866,1005 0.866,1006 0.866,1007 4.879,1008 1.342,1009 6.014,1010 4.543,1011 4.511,1012 4.879,1013 0.908,1014 7.036,1015 4.462,1016 6.152,1017 0.883,1018 7.722,1019 3.442,1020 4.575,1021 5.047,1023 8.58,1024 4.517,1025 7.547,1026 0.726,1027 9.546,1028 2.404,1029 6.389,1030 7.185,1031 0.739,1032 11.729,1033 6.327,1034 8.978,1035 0.628,1036 11.44,1037 1.843,1038 7.223,1039 8.134,1041 14.043,1042 7.158,1043 10.443,1044 0.042,1045 13.377,1046 1.173,1047 8.636,1048 9.864,1049 0.593,1050 16.859,1051 8.573,1052 11.929,1053 -0.193,1054 15.345,1055 0.105,1056 9.756,1057 11.143,1059 19.44,1060 9.695,1061 13.433,1062 -0.263,1063 17.334,1064 -0.388,1065 11.066,1066 12.743,1067 0.469,1068 22.185,1069 11.008,1070 3.772,1071 -0.71,1072 19.34,1073 -0.628,1074 12.294,1075 14.169,1077 24.864,1078 12.24,1079 3.271,1080 15.635,1081 21.36,1082 -1.977,1083 13.585,1084 15.728,1085 0.366,1086 27.598,1087 13.535,1088 2.933,1089 12.156,1090 23.39,1091 4.737,1092 14.857,1093 17.221,1095 30.315,1096 14.811,1097 2.625,1098 10.444,1099 25.429,1100 3.825,1101 16.151,1102 18.768,1103 0.283,1104 33.052,1105 16.108,1106 2.253,1107 8.857,1108 27.476,1109 3.411,1110 17.443,1111 20.292,1113 35.785,1114 17.404,1115 1.757,1116 7.302,1117 29.529,1118 2.879,1119 18.745,1120 21.839,1121 0.217,1122 38.526,1123 18.709,1124 1.626,1125 5.435,1126 31.588,1127 2.781,1128 20.049,1129 23.378,1131 41.267,1132 20.015,1133 5455,1134 7870,1135 17.8,1136 35.682,1137 44.159,1138 44.943,1139 47.029,1140 43.806,1141 43.715,1142 51.865,1143 1.72,1144 146.68,1145 42.231,1146 5.918,1147 5.917,1148 7.636,1149 5.771,1150 5.772,1151 7.737,1152 1.72,1153 24.751,1154 5.77,1155 14.632,1156 1.577,1157 1.605,1158 1.68,1159 1.565,1160 1.561,1161 1.852,1162 0.061,1163 5.239,1164 1.508,1165 4.176,1166 4.185,1167 6.881,1168 4.103,1169 5.115,1170 4.106,1171 3.902,1172 3.933,1173 4.104,1174 3.827,1175 4.678,1176 3.815,1177 3.642,1178 3.694,1179 3.781,1180 3.536,1181 4.397,1182 3.52,1183 3.463,1184 3.524,1185 3.497,1186 3.343,1187 4.173,1188 3.324,1189 3.32,1190 3.371,1191 3.303,1192 3.116,1193 4.03,1194 3.117,1195 3.254,1196 3.339,1197 3.161,1198 3.099,1199 3.968,1200 3.074,1201 3.116,1202 3.206,1203 3.043,1204 2.902,1205 3.723,1206 2.881,1207 3.018,1208 3.093,1209 2.897,1210 2.889,1211 3.693,1212 2.836,1213 0.176,1214 0.14,1215 0.289,1216 0.17,1217 0.135,1218 4.918,1219 0.169,1220 3.917,1221 0.031,1222 8.095,1223 0.558,1224 4.771,1225 0.135,1226 3.772,1227 4.737,1228 0.86,1229 15.635,1230 3.77,1231 2.004,1232 1.978,1233 2.157,1234 2.093,1235 1.583,1236 2.116,1237 1.873,1238 1.854,1239 1.971,1240 1.959,1241 1.301,1242 1.962,1243 1.742,1244 1.707,1245 1.916,1246 1.894,1247 1.144,1248 1.91,1249 1.49,1250 1.429,1251 1.761,1252 1.663,1253 0.983,1254 1.701,1255 1.349,1256 1.279,1257 1.652,1258 1.545,1259 0.944,1260 1.585,1261 1.198,1262 1.132,1263 1.566,1264 1.511,1265 0.674,1266 1.526,1267 1.113,1268 1.013,1269 1.52,1270 1.368,1271 0.576,1272 1.426,1273 1.019,1274 0.975,1275 1.417,1276 1.276,1277 0.469,1278 1.308,1279 4.043,1281 5.468,1282 2.398,1283 7.098,1284 4.949,1285 8.824,1286 7.273,1287 10.604,1288 3.717,1289 11.504,1295 6.417,1297 5.495,1299 1.178,1301 0.586,1305 32.357,1306 69.775,1307 158.772,1308 225.77,1309 268.989,1310 268.989,1311 268.989,1312 41.518,1313 7.907,1314 22.37,1315 22.37,1316 24,1317 13.113,1318 3.459,1319 2.585,1320 35.494,1321 69,1322 85,1323 0.267,1324 200.425,1325 344.22,1326 480.797,1327 26849,1328 1.9,1329 17.983,1330 0.719,1331 0.705,1332 18.983,1333 17.625,1334 11.793,1335 0.421,1336 0.371,1337 9.566,1338 11.032,1339 9.044,1340 7.538,1341 12.37,1342 10.38,1343 11.813,1344 0.263,1345 0.22,1346 12.48,1347 9.883,1348 10.51,1349 0.159,1350 0.12,1351 11.409,1352 7.897,1353 9.306,1354 0.098,1355 0.068,1356 10.092,1357 6.489,1358 7.284,1359 0.058,1360 0.036,1361 7.754,1362 4.532,1363 0.388,1364 81.059,1365 0.237,1366 22.898,1367 0.839,1368 146,1369 304.126,1370 218.957,1371 330.103,1372 457.96,1373 310,1374 184,1375 327.552,1376 235.631,1377 348.552,1378 523.53,1379 326,1380 5}
{0 CHEMBL1630541,1 1.307,2 7.083,3 6.625,4 43.892,5 100.695,6 7.674,7 0.37,8 4.005,9 4.12,10 3.61,11 3.615,12 4.911,13 3.54,14 4.634,15 4.813,16 4.128,17 4.128,18 5.426,19 4.032,20 5.039,21 5.226,22 4.506,23 4.446,24 5.872,25 4.324,26 5.334,27 5.58,28 4.41,29 4.584,30 6.064,31 4.41,32 5.35,33 5.61,34 4.163,35 4.532,36 6.022,37 4.323,38 5.286,39 5.589,40 4.29,41 4.411,42 5.922,43 4.164,44 5.019,45 5.293,46 3.915,47 4.098,48 5.794,49 3.806,50 4.591,51 4.911,52 3.53,53 3.488,54 5.419,55 3.184,56 0.054,57 0.649,58 11.513,59 5.685,60 9.33,61 7.544,62 0.103,63 1.178,64 24.384,65 10.646,66 14.174,67 14.213,68 0.296,69 1.727,70 43.059,71 15.822,72 33.527,73 20.896,74 0.451,75 2.211,76 59.771,77 20.948,78 46.076,79 27.849,80 0.365,81 2.239,82 56.291,83 20.827,84 39.397,85 28.149,86 0.293,87 2.038,88 62.379,89 20.363,90 38.219,91 27.178,92 0.389,93 1.458,94 77.384,95 16.813,96 43.886,97 20.292,98 0.329,99 0.884,100 45.622,101 10.044,102 41.901,103 12.121,104 37,105 44,106 0.222,107 0.519,108 0.697,109 0.841,110 0.841,111 0.841,112 3.232,113 1.11,114 -6.05,115 -5.9,116 -5.49,117 1,119 41.2,120 4,121 5,122 2,123 2,142 2,143 2,144 2,152 2,172 17,175 3,180 1,183 25,187 5,192 2,195 32,199 5,202 1,204 1,207 31,212 2,217 1,220 22,224 3,229 2,232 17,242 5,245 6,255 3,258 3,268 3,275 666,276 15.488,277 15.488,278 15.488,279 15.488,280 15.488,281 14.295,282 11.9,283 8.355,284 15.626,285 13.23,286 13.23,287 13.23,288 13.23,289 13.23,290 11.358,291 9.204,292 3.861,293 13.558,294 4.365,295 2.621,296 1.573,297 0.726,298 0.726,299 0.726,300 3.917,305 1,306 368,307 3.162,310 24.35,311 74.669,312 38.976,314 51.525,315 53.742,316 65.895,318 1.021,319 18.886,322 0.75,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.92,330 49.75,331 170,332 4.917,333 3.917,334 8.095,335 4.771,336 3.772,337 4.736,339 15.635,340 3.77,341 4.521,342 3.387,343 7.181,344 4.257,345 3.268,346 3.816,348 12.15,349 3.236,350 4.118,351 3.152,352 6.646,353 3.881,354 2.918,355 3.399,357 10.368,358 2.808,359 3.749,360 2.843,361 6.17,362 3.597,363 2.613,364 2.87,366 8.734,367 2.551,368 3.494,369 2.372,370 5.646,371 3.171,372 2.208,373 2.76,375 7.041,376 2.084,377 3.146,378 1.985,379 5.121,380 2.682,381 1.716,382 2.403,384 5.184,385 1.646,386 2.764,387 1.658,388 4.72,389 2.619,390 1.624,391 1.792,393 4.53,394 1.6,395 2.413,396 1.36,397 4.375,398 2.333,399 1.336,400 1.41,402 3.435,403 1.331,404 2.205,405 1.2,406 3.932,407 1.819,408 0.863,409 1.105,411 2.381,412 0.795,413 1.821,414 0.748,415 3.423,416 1.687,417 0.707,418 0.781,420 1.838,421 0.67,422 1.452,423 0.643,424 3.273,425 1.059,426 0.225,427 0.261,428 0.528,429 0.143,430 1.057,431 0.084,432 3.201,433 0.938,434 -0.009,435 -0.009,436 -0.022,437 -0.009,438 0.814,439 -0.191,440 2.78,441 0.766,442 -0.233,443 -0.236,445 -0.603,446 -0.232,447 0.672,448 -0.394,449 2.734,450 0.353,451 -0.619,452 -0.754,454 -1.756,455 -0.557,456 0.206,457 -0.715,458 2.434,460 -1,461 -1,463 -2.883,464 -0.828,465 12.5,466 0.521,467 1.003,468 0.042,469 22.75,470 0.948,471 8.5,472 0.354,473 14.25,474 0.594,475 35.699,476 1.487,477 26.5,478 0.52,479 10.731,480 0.447,481 2.862,482 0.119,483 8.393,484 0.35,485 0.293,486 0.08,487 0.32,493 0.839,494 1.095,495 0.535,496 0.916,497 0.962,498 0.98,499 0.628,500 0.961,501 0.502,502 0.806,503 0.463,504 0.833,505 0.707,506 1.164,507 0.64,508 1.042,509 0.632,510 1.06,511 0.8,512 1.005,513 0.672,514 0.909,515 0.539,516 0.974,517 0.854,518 1.106,519 0.521,520 0.952,521 0.603,522 1.085,523 0.497,524 0.947,525 0.706,526 0.853,527 0.44,528 0.897,529 1.394,530 1.103,531 2.175,532 1.432,533 1.222,534 1.246,535 1.812,536 0.681,537 1.606,538 0.894,539 2.709,540 0.8,541 7,543 5.111,544 3.757,545 2.87,546 1.362,547 0.786,548 0.309,549 0.168,550 0.016,551 4924,552 10207,553 2.04,554 52.9,555 23,556 2,559 1,560 1,564 1.681,565 1.823,566 2.791,567 -0.424,573 66.673,574 1.307,575 3.052,576 4.099,577 4.947,578 4.947,579 4.947,580 2.267,581 4.168,582 4.561,583 2.903,584 801.116,585 7.932,586 8638.42,591 289.294,592 1.855,593 4.458,594 0.259,596 0.116,597 0.071,598 0.056,599 0.035,600 0.024,601 0.018,602 0.019,603 0.005,604 0.603,605 0.67,606 0.88,607 0.691,608 107.795,609 -0.026,610 0.064,611 0.006,612 0.051,613 -0.086,614 0.062,615 0.073,616 0.132,617 0.073,618 0.137,619 0.143,620 0.185,621 0.134,622 -0.097,623 0.062,624 -0.085,625 0.115,626 -0.052,627 0.063,628 -0.004,629 0.009,630 0.009,631 0.085,632 -0.002,633 -0.068,634 -0.116,635 -0.018,636 -0.084,637 -0.053,638 -0.129,639 0.077,641 0.09,642 0.073,643 0.063,644 0.071,645 -0.152,646 -0.19,647 -0.219,648 -0.246,649 -0.118,650 -0.237,651 -0.156,652 0.172,653 -0.008,654 0.164,655 -0.268,656 0.138,657 1.412,658 4.073,659 0.75,660 13.708,661 0.985,662 1.119,663 4.822,664 23.25,665 0.665,666 3.332,667 3.807,668 4.174,669 4.533,670 4.82,671 5.081,672 5.215,673 5.366,674 5.46,675 5.501,676 4.387,677 0.605,678 391.38,679 3.332,680 4.963,681 5.883,682 6.849,683 7.791,684 8.763,685 9.712,686 10.686,687 11.639,688 12.614,703 2,704 2,707 1,709 4,711 10,728 1,730 1,731 51,733 10,734 1,735 27,736 1,737 54,738 21,739 8,740 4,741 2,746 4,747 10,752 4,753 2,754 2,755 5,756 2,758 5,761 8,762 13,763 2,780 1,781 27,782 2,783 1,784 3,785 1,794 0.25,795 2,811 1,812 2,813 1,815 1,816 1,817 1,840 1,843 1,844 4,848 24,853 1,854 5,858 2,860 2,869 1,870 3.9,872 1,875 1,877 13.167,878 10.343,879 4.917,880 3.488,881 2.138,882 1.274,883 0.933,884 3.802,885 9.954,886 3.497,887 4.178,888 4.819,889 5.467,890 6.026,891 6.492,892 6.881,893 7.255,894 7.373,895 7.528,896 0.8,897 53,898 8.974,900 3.994,901 7.455,902 18.039,904 16.504,905 1.955,906 46.917,907 0.001,910 306.049,911 86.025,912 45.954,914 52.191,917 131.979,918 358.239,920 35.301,921 12.673,922 18.952,923 42.683,924 18.321,925 10.285,926 306.049,927 45.954,928 306.049,929 86.025,930 52.191,932 45.954,933 306.049,934 52.191,937 47.973,938 38.051,940 45.954,941 306.049,942 52.191,943 131.979,946 306.049,947 31.771,948 54.253,949 45.954,950 52.191,951 306.049,952 52.191,953 131.979,955 0.624,956 0.385,957 0.207,958 0.116,959 26,960 12,963 3,964 1.333,965 3.221,966 229.329,967 0.333,968 18,969 108.039,974 16.812,975 5.428,976 2.315,977 2.005,978 52.191,979 3.851,982 6.37,984 3.514,986 42.683,987 490.218,988 32,999 50.254,1000 57.073,1001 0.23,1002 0.538,1003 0.723,1004 0.872,1005 0.872,1006 0.872,1007 4.856,1008 1.336,1009 5.994,1010 4.53,1011 4.489,1012 4.864,1014 7.018,1015 4.447,1016 6.137,1017 0.863,1018 7.705,1019 3.435,1020 4.575,1021 5.047,1023 8.566,1024 4.517,1025 7.535,1026 0.707,1027 9.532,1028 2.381,1029 6.372,1030 7.174,1032 11.717,1033 6.318,1034 8.967,1035 0.225,1036 11.427,1037 1.838,1038 7.216,1039 8.128,1041 14.033,1042 7.154,1043 10.432,1044 -0.009,1045 13.365,1046 0.528,1047 8.624,1048 9.855,1050 16.852,1051 8.568,1052 11.919,1053 -0.233,1054 15.334,1055 -0.022,1056 9.748,1057 11.136,1059 19.435,1060 9.692,1061 13.423,1062 -0.619,1063 17.325,1064 -0.603,1065 11.057,1066 12.735,1068 22.181,1069 11.005,1070 3.772,1071 -1,1072 19.332,1073 -1.756,1074 12.287,1075 14.162,1077 24.861,1078 12.238,1079 3.268,1080 15.635,1081 21.352,1082 -2.883,1083 13.579,1084 15.72,1086 27.596,1087 13.533,1088 2.918,1089 12.15,1090 23.384,1091 4.736,1092 14.851,1093 17.214,1095 30.314,1096 14.809,1097 2.613,1098 10.368,1099 25.424,1100 3.816,1101 16.146,1102 18.761,1104 33.051,1105 16.107,1106 2.208,1107 8.734,1108 27.472,1109 3.399,1110 17.439,1111 20.285,1113 35.784,1114 17.403,1115 1.716,1116 7.041,1117 29.525,1118 2.87,1119 18.741,1120 21.832,1122 38.526,1123 18.708,1124 1.624,1125 5.184,1126 31.585,1127 2.76,1128 20.045,1129 23.371,1131 41.267,1132 20.014,1133 4825,1134 7154,1135 17.107,1136 33.921,1137 43.129,1138 43.516,1139 45.462,1140 42.485,1141 42.501,1142 50.665,1144 143.647,1145 41.264,1146 5.917,1147 5.917,1148 7.46,1149 5.771,1150 5.772,1151 7.736,1153 24.751,1154 5.77,1155 14.111,1156 1.597,1157 1.612,1158 1.684,1159 1.574,1160 1.574,1161 1.876,1163 5.32,1164 1.528,1165 4.175,1166 4.184,1167 6.881,1168 4.102,1169 6.47,1170 4.105,1171 3.9,1172 3.932,1173 4.102,1174 3.826,1175 5.075,1176 3.814,1177 3.637,1178 3.69,1179 3.779,1180 3.533,1181 4.402,1182 3.517,1183 3.452,1184 3.517,1185 3.487,1186 3.339,1187 4.261,1188 3.318,1189 3.268,1190 3.341,1191 3.284,1192 3.106,1193 4.031,1194 3.094,1195 3.235,1196 3.286,1197 3.125,1198 3.08,1199 3.977,1200 3.062,1201 3.041,1202 3.135,1203 3.029,1204 2.898,1205 3.726,1206 2.839,1207 2.925,1208 3.009,1209 2.771,1210 2.826,1211 3.693,1212 2.796,1213 0.182,1214 0.145,1215 0.3,1216 0.177,1217 0.14,1218 4.917,1219 0.175,1220 3.917,1222 8.095,1223 0.579,1224 4.771,1225 0.14,1226 3.772,1227 4.736,1229 15.635,1230 3.77,1231 2.004,1232 1.977,1233 2.157,1234 2.093,1235 1.583,1236 2.116,1237 1.871,1238 1.851,1239 1.97,1240 1.953,1241 1.3,1242 1.957,1243 1.742,1244 1.706,1245 1.912,1246 1.894,1247 1.137,1248 1.909,1249 1.488,1250 1.427,1251 1.759,1252 1.66,1253 0.978,1254 1.699,1255 1.349,1256 1.278,1257 1.651,1258 1.544,1259 0.943,1260 1.584,1261 1.117,1262 1.019,1263 1.521,1264 1.37,1265 0.673,1266 1.427,1267 1.028,1268 0.981,1269 1.417,1270 1.276,1271 0.469,1272 1.308,1273 0.934,1274 0.889,1275 1.27,1276 1.239,1277 0.408,1278 1.273,1279 4.007,1281 5.442,1282 2.398,1283 7.076,1284 4.949,1285 8.804,1286 7.273,1287 10.585,1288 3.531,1289 9.664,1294 10.073,1295 6.278,1299 1.107,1301 0.523,1305 30.83,1306 66.673,1307 155.645,1308 209.055,1309 252.274,1310 252.274,1311 252.274,1312 43.065,1313 7.816,1314 33.37,1315 33.37,1316 24,1317 13.091,1318 3.459,1319 2.585,1320 33.396,1321 63,1322 67,1323 0.276,1324 190.833,1325 326.92,1326 457.392,1327 24029,1328 2,1329 17.276,1330 0.72,1331 0.694,1332 18.276,1333 16.664,1334 11.255,1335 0.417,1336 0.37,1337 9.204,1338 10.58,1339 8.735,1340 7.25,1341 11.832,1342 9.991,1343 11.622,1344 0.264,1345 0.22,1346 12.289,1347 9.7,1348 10.224,1349 0.16,1350 0.12,1351 11.221,1352 7.708,1353 8.851,1354 0.096,1355 0.067,1356 9.401,1357 6.177,1358 7.113,1359 0.058,1360 0.036,1361 7.582,1362 4.458,1363 0.399,1364 77.293,1365 0.242,1366 21.977,1367 0.884,1368 142,1369 288.54,1370 214.182,1371 320.124,1372 441.26,1373 298,1374 179,1375 316.036,1376 229.634,1377 336.13,1378 505.84,1379 316,1380 4.991}
{0 CHEMBL1630542,1 1.185,2 6.522,3 5.877,4 34.536,5 93.072,6 6.127,7 0.385,8 4.001,9 4.122,10 3.414,11 3.578,12 4.9,13 3.51,14 4.629,15 4.815,16 3.89,17 4.083,18 5.42,19 3.995,20 5.032,21 5.23,22 4.093,23 4.399,24 5.814,25 4.277,26 5.328,27 5.584,28 4.111,29 4.531,30 6.012,31 4.367,32 5.347,33 5.611,34 3.956,35 4.499,36 6.045,37 4.297,38 5.29,39 5.598,40 3.741,41 4.322,42 5.943,43 4.095,44 5.026,45 5.317,46 3.226,47 3.94,48 5.816,49 3.693,50 4.622,51 4.982,52 2.488,53 3.311,54 5.365,55 3.004,56 0.062,57 0.665,58 12.711,59 5.768,60 9.718,61 7.779,62 0.112,63 1.195,64 23.531,65 10.426,66 16.402,67 14.298,68 0.208,69 1.744,70 35.249,71 15.208,72 28.358,73 20.935,74 0.331,75 2.206,76 46.676,77 19.312,78 35.571,79 27.01,80 0.438,81 2.225,82 47.409,83 19.553,84 45.628,85 27.545,86 0.291,87 2.02,88 43.892,89 17.827,90 39.132,91 25.468,92 0.373,93 1.468,94 34.574,95 12.723,96 48.192,97 17.878,98 0.258,99 0.905,100 22.442,101 7.899,102 39.232,103 11.376,104 26,105 42,106 0.201,107 0.5,108 0.688,109 0.841,110 0.841,111 0.841,112 3.192,113 1.048,114 -5.46,115 -5.34,116 -4.98,119 41.2,120 4,121 5,122 2,123 2,142 3,143 2,144 1,152 2,172 17,175 4,180 2,183 26,187 5,192 2,195 32,199 4,204 1,207 31,212 2,215 1,217 1,220 23,224 3,229 4,232 15,242 5,245 6,255 3,258 3,275 596,276 14.935,277 14.935,278 14.935,279 14.935,280 14.935,281 13.816,282 11.503,283 8.175,284 14.976,285 12.789,286 12.789,287 12.789,288 12.789,289 12.789,290 10.995,291 9.125,292 3.824,293 12.868,294 4.487,295 2.729,296 1.627,297 0.726,298 0.726,299 0.726,300 3.879,305 1,306 326,307 3.082,310 23.369,311 70.004,312 36.593,314 49.007,315 50.916,316 61.492,318 0.934,319 16.975,322 0.75,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.94,330 48,331 150,332 4.902,333 3.913,334 8.094,335 4.769,336 3.769,337 4.664,339 15.629,340 3.769,341 4.456,342 3.292,343 7.167,344 4.231,345 3.232,346 3.686,348 12.066,349 3.23,350 3.972,351 2.884,352 6.472,353 3.783,354 2.786,355 3.268,357 9.804,358 2.779,359 3.741,360 2.755,361 5.924,362 3.539,363 2.546,364 2.929,366 8.116,367 2.528,368 3.431,369 2.324,370 5.225,371 3.075,372 2.111,373 2.676,375 5.817,376 2.026,377 3.074,378 1.749,379 4.956,380 2.718,381 1.72,382 2.286,384 5.43,385 1.716,386 2.724,387 1.541,388 4.66,389 2.53,390 1.531,391 1.753,393 4.266,394 1.53,395 2.401,396 1.303,397 4.291,398 2.288,399 1.289,400 1.396,402 3.37,403 1.287,404 2.088,405 0.835,406 3.744,407 1.797,408 0.8,409 0.949,411 2.044,412 0.797,413 1.803,414 0.636,415 3.388,416 1.584,417 0.588,418 0.732,420 1.57,421 0.585,422 1.15,423 0.209,424 3.234,425 1.037,426 0.044,427 0.046,428 0.115,429 0.043,430 0.91,431 -0.106,432 3.073,433 0.778,434 -0.215,435 -0.221,436 -0.548,437 -0.212,438 0.749,439 -0.26,440 2.712,441 0.582,442 -0.377,443 -0.443,445 -0.963,446 -0.359,447 0.619,448 -0.714,449 2.442,450 0.144,451 -0.852,452 -1,454 -2.539,455 -0.848,456 0.217,457 -0.839,458 2.33,460 -1,461 -1.107,463 -2.933,464 -0.97,465 11.167,466 0.486,467 0.931,468 0.04,469 22.25,470 0.967,471 8.5,472 0.37,473 13.75,474 0.598,475 30.791,476 1.339,477 26.033,478 0.51,479 12.297,480 0.535,481 3.029,482 0.132,483 7.798,484 0.339,485 0.209,486 0.09,487 0.313,493 0.895,494 1.125,495 0.99,496 1.115,497 1,498 1.068,499 0.658,500 0.993,501 0.805,502 0.98,503 0.442,504 0.914,505 0.897,506 1.168,507 1.07,508 1.164,509 0.753,510 1.136,511 0.92,512 1.017,513 0.994,514 1.017,515 0.607,516 1.012,517 0.795,518 1.123,519 1.11,520 1.132,521 0.599,522 1.146,523 0.624,524 0.978,525 0.879,526 0.977,527 0.587,528 0.954,529 1.669,530 1.064,531 1.236,532 1.067,533 1.849,534 1.108,535 1.432,536 0.649,537 0.83,538 0.648,539 2.127,540 0.681,541 7,543 4.444,544 3.444,545 2.634,546 1.237,547 0.669,548 0.244,549 0.061,551 4435,552 7796,553 2.067,554 54.9,555 23,556 3,559 1,560 1,564 1.67,565 1.865,566 2.713,567 -0.455,573 60.449,574 1.185,575 2.944,576 4.045,577 4.947,578 4.947,579 4.947,580 2.103,581 3.969,582 4.5,583 2.816,584 712.369,585 7.814,586 7540.81,591 289.294,592 1.837,593 4.407,594 0.269,596 0.106,597 0.07,598 0.055,599 0.033,600 0.022,601 0.017,602 0.01,604 0.583,605 0.67,606 0.88,607 0.675,608 101.512,609 -0.018,610 0.066,611 0.061,612 0.068,613 -0.087,614 0.071,615 0.076,616 0.118,617 0.203,618 0.13,619 0.174,620 0.172,621 -0.027,622 -0.085,623 -0.063,624 -0.084,625 0.001,626 -0.077,627 -0.029,628 -0.014,629 -0.014,630 -0.013,631 0.01,632 -0.012,633 0.038,634 -0.133,635 -0.143,636 -0.14,637 0.014,638 -0.155,639 0.058,640 -0.042,641 0.054,642 -0.033,643 0.063,644 0.005,645 -0.166,646 -0.151,647 -0.23,648 -0.161,649 -0.202,650 -0.196,651 -0.054,652 0.175,653 0.134,654 0.177,655 -0.071,656 0.173,657 1.326,658 4.027,659 0.783,660 12.503,661 0.981,662 1.122,663 4.227,664 17.869,665 0.639,666 3.296,667 3.761,668 4.111,669 4.489,670 4.779,671 5.011,672 5.118,673 5.288,674 5.361,675 5.398,676 4.219,677 0.584,678 312.49,679 3.296,680 4.92,681 5.832,682 6.797,683 7.733,684 8.704,685 9.649,686 10.622,687 11.57,688 12.543,703 2,704 3,707 1,709 3,711 10,728 1,731 51,733 10,734 1,735 26,737 54,738 21,739 8,740 3,741 3,746 4,747 10,752 4,753 2,754 2,755 5,756 2,758 5,761 8,762 13,763 2,780 1,781 28,782 2,783 1,784 2,794 0.25,795 2,811 1,812 2,813 1,815 1,816 1,817 1,840 1,844 4,848 23,853 1,854 5,858 2,860 2,870 3.9,872 1,875 1,877 12.333,878 10.283,879 4.694,880 3.494,881 2.121,882 1.275,883 0.926,884 3.31,885 9.836,886 3.466,887 4.131,888 4.75,889 5.408,890 5.967,891 6.388,892 6.763,893 7.169,894 7.256,895 7.418,896 1,897 49,898 8.605,900 3.829,901 7.435,902 17.369,904 15.933,905 1.935,906 44.5,907 0.001,910 317.82,911 92.446,914 52.191,917 92.446,918 370.01,920 35.301,921 12.673,922 28.429,923 42.683,924 15.266,925 10.285,926 317.82,928 317.82,929 92.446,930 52.191,933 317.82,934 52.191,937 47.973,938 44.472,941 317.82,942 52.191,943 92.446,946 317.82,947 28.716,948 63.73,950 52.191,951 317.82,952 52.191,953 92.446,955 0.62,956 0.373,957 0.209,958 0.121,959 25,960 11,963 3,964 1.333,965 3.18,966 215.524,967 0.333,968 18,969 102.042,974 15.413,975 4.939,976 2.148,977 2.073,978 52.191,979 5.582,982 6.309,984 2.91,986 42.683,987 462.456,988 31,999 50.025,1000 57.232,1001 0.209,1002 0.519,1003 0.713,1004 0.872,1005 0.872,1006 0.872,1007 4.816,1008 1.289,1009 5.938,1010 4.266,1011 4.443,1012 4.816,1014 6.954,1015 4.433,1016 6.088,1017 0.8,1018 7.639,1019 3.37,1020 4.511,1021 4.956,1023 8.507,1024 4.498,1025 7.478,1026 0.588,1027 9.459,1028 2.044,1029 6.315,1030 7.099,1032 11.655,1033 6.304,1034 8.902,1035 0.044,1036 11.352,1037 1.57,1038 7.148,1039 8.006,1041 13.989,1042 7.137,1043 10.36,1044 -0.215,1045 13.292,1046 0.115,1047 8.563,1048 9.745,1050 16.811,1051 8.554,1052 11.841,1053 -0.377,1054 15.264,1055 -0.548,1056 9.685,1057 10.991,1059 19.405,1060 9.678,1061 13.339,1062 -0.852,1063 17.26,1064 -0.963,1065 10.999,1066 12.592,1068 22.156,1069 10.994,1070 3.769,1071 -1,1072 19.273,1073 -2.539,1074 12.232,1075 13.995,1077 24.842,1078 12.227,1079 3.232,1080 15.629,1081 21.299,1082 -2.933,1083 13.527,1084 15.548,1086 27.58,1087 13.524,1088 2.786,1089 12.066,1090 23.336,1091 4.664,1092 14.804,1093 17.024,1095 30.3,1096 14.8,1097 2.546,1098 9.804,1099 25.382,1100 3.686,1101 16.102,1102 18.563,1104 33.039,1105 16.1,1106 2.111,1107 8.116,1108 27.435,1109 3.268,1110 17.398,1111 20.072,1113 35.774,1114 17.396,1115 1.72,1116 5.817,1117 29.493,1118 2.929,1119 18.704,1120 21.607,1122 38.516,1123 18.702,1124 1.531,1125 5.43,1126 31.556,1127 2.676,1128 20.01,1129 23.131,1131 41.258,1132 20.009,1133 4320,1134 5854,1135 16.701,1136 32.569,1137 41.336,1138 41.006,1139 43.234,1140 40.874,1141 40.832,1142 48.769,1144 136.453,1145 40.581,1146 5.902,1147 5.913,1148 7.46,1149 5.769,1150 5.769,1151 7.664,1153 24.742,1154 5.769,1155 12.422,1156 1.59,1157 1.577,1158 1.663,1159 1.572,1160 1.57,1161 1.876,1163 5.248,1164 1.561,1165 4.173,1166 4.185,1167 4.134,1168 4.092,1169 6.471,1170 4.099,1171 3.899,1172 3.933,1173 3.803,1174 3.813,1175 5.085,1176 3.806,1177 3.636,1178 3.691,1179 3.506,1180 3.526,1181 4.405,1182 3.512,1183 3.45,1184 3.517,1185 3.293,1186 3.331,1187 4.225,1188 3.313,1189 3.271,1190 3.341,1191 3.136,1192 3.106,1193 4.006,1194 3.094,1195 3.234,1196 3.286,1197 3.029,1198 3.069,1199 3.976,1200 3.057,1201 3.048,1202 3.137,1203 2.824,1204 2.83,1205 3.712,1206 2.815,1207 2.901,1208 3.009,1209 2.719,1210 2.763,1211 3.665,1212 2.751,1213 0.189,1214 0.15,1215 0.311,1216 0.183,1217 0.145,1218 4.902,1219 0.179,1220 3.913,1222 8.094,1223 0.601,1224 4.769,1225 0.145,1226 3.769,1227 4.664,1229 15.629,1230 3.769,1231 2.004,1232 1.977,1233 2.158,1234 2.094,1235 1.583,1236 2.117,1237 1.874,1238 1.849,1239 1.986,1240 1.974,1241 1.3,1242 1.974,1243 1.743,1244 1.706,1245 1.94,1246 1.894,1247 1.131,1248 1.912,1249 1.489,1250 1.427,1251 1.766,1252 1.661,1253 0.977,1254 1.701,1255 1.349,1256 1.278,1257 1.653,1258 1.545,1259 0.942,1260 1.585,1261 1.117,1262 1.02,1263 1.521,1264 1.37,1265 0.673,1266 1.427,1267 1.034,1268 0.978,1269 1.417,1270 1.298,1271 0.469,1272 1.308,1273 0.934,1274 0.89,1275 1.308,1276 1.239,1277 0.419,1278 1.288,1279 3.97,1281 5.398,1282 2.398,1283 7.022,1284 4.949,1285 8.742,1286 7.261,1287 10.516,1289 9.651,1294 10.027,1295 6.292,1299 1.133,1301 0.523,1305 29.805,1306 60.449,1307 150.135,1308 206.3,1309 252.274,1310 252.274,1311 252.274,1312 38.754,1313 7.716,1314 33.37,1315 33.37,1316 24,1317 13.022,1318 3.459,1319 2.585,1320 31.373,1321 58,1322 59,1323 0.281,1324 178.919,1325 307.64,1326 428.322,1327 21451,1329 16.405,1330 0.713,1331 0.643,1332 16.405,1333 14.778,1334 10.827,1335 0.416,1336 0.349,1337 9.044,1338 10.642,1339 8.626,1340 7.18,1341 10.827,1342 9.087,1343 11.223,1344 0.267,1345 0.21,1346 11.223,1347 8.812,1348 9.487,1349 0.158,1350 0.114,1351 9.487,1352 6.835,1353 8.527,1354 0.097,1355 0.065,1356 8.527,1357 5.719,1358 7.014,1359 0.059,1360 0.035,1361 7.014,1362 4.14,1363 0.404,1364 66.357,1365 0.245,1366 21.155,1367 0.909,1368 136,1369 261.885,1370 142.311,1371 258.123,1372 368.59,1373 242,1374 170,1375 290.303,1376 176.644,1377 297.44,1378 444.24,1379 280,1380 5.143}
{0 CHEMBL1630543,1 1.185,2 7.043,3 5.877,4 34.536,5 93.072,6 6.127,7 0.385,8 4.001,9 4.122,10 3.414,11 3.578,12 4.9,13 3.51,14 4.629,15 4.815,16 3.89,17 4.083,18 5.42,19 3.995,20 5.032,21 5.23,22 4.093,23 4.399,24 5.812,25 4.277,26 5.329,27 5.584,28 4.118,29 4.531,30 6.037,31 4.365,32 5.346,33 5.612,34 3.924,35 4.496,36 6.015,37 4.292,38 5.28,39 5.593,40 3.677,41 4.318,42 5.892,43 4.076,44 4.999,45 5.305,46 3.193,47 3.922,48 5.72,49 3.661,50 4.575,51 4.92,52 2.502,53 3.281,54 5.355,55 2.995,56 0.062,57 0.665,58 12.711,59 5.768,60 9.718,61 7.779,62 0.112,63 1.195,64 23.531,65 10.426,66 16.402,67 14.298,68 0.208,69 1.744,70 35.249,71 15.208,72 27.747,73 20.935,74 0.432,75 2.206,76 46.807,77 19.325,78 43.86,79 27.064,80 0.345,81 2.222,82 47.225,83 19.521,84 38.258,85 27.478,86 0.266,87 2.012,88 43.154,89 17.833,90 36.607,91 25.584,92 0.3,93 1.446,94 33.144,95 12.651,96 39.189,97 17.978,98 0.272,99 0.862,100 21.69,101 7.462,102 38.227,103 10.635,104 26,105 42,106 0.201,107 0.5,108 0.688,109 0.841,110 0.841,111 0.841,112 3.192,113 1.048,114 -5.46,115 -5.34,116 -4.98,119 41.2,120 4,121 5,122 2,123 2,142 3,143 2,144 1,152 2,172 17,175 4,180 2,183 27,187 4,192 1,195 32,199 5,202 1,204 1,207 31,212 2,217 1,220 25,224 3,229 2,232 15,242 5,245 6,255 3,268 3,275 593,276 14.935,277 14.935,278 14.935,279 14.935,280 14.935,281 13.816,282 11.503,283 8.172,284 14.976,285 12.789,286 12.789,287 12.789,288 12.789,289 12.789,290 10.995,291 9.125,292 3.82,293 12.868,294 4.487,295 2.729,296 1.627,297 0.726,298 0.726,299 0.726,300 3.879,305 1,306 353,307 3.082,310 23.39,311 70.372,312 36.741,314 49.028,315 51.02,316 61.907,318 1.013,319 16.734,322 0.75,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.94,330 48,331 162,332 4.901,333 3.912,334 8.094,335 4.769,336 3.769,337 4.662,339 15.628,340 3.769,341 4.457,342 3.292,343 7.166,344 4.23,345 3.231,346 3.697,348 12.06,349 3.229,350 3.987,351 2.891,352 6.471,353 3.788,354 2.791,355 3.284,357 9.804,358 2.783,359 3.726,360 2.753,361 5.922,362 3.537,363 2.543,364 2.87,366 8.11,367 2.527,368 3.433,369 2.325,370 5.28,371 3.088,372 2.122,373 2.698,375 6.097,376 2.042,377 3.043,378 1.692,379 4.901,380 2.642,381 1.647,382 2.273,384 5.011,385 1.637,386 2.762,387 1.566,388 4.624,389 2.564,390 1.564,391 1.79,393 4.378,394 1.564,395 2.413,396 1.353,397 4.33,398 2.331,399 1.333,400 1.41,402 3.427,403 1.329,404 2.06,405 0.781,406 3.744,407 1.769,408 0.769,409 0.902,411 1.988,412 0.769,413 1.821,414 0.707,415 3.395,416 1.619,417 0.625,418 0.775,420 1.665,421 0.62,422 1.061,423 0.088,424 3.235,425 1.004,426 0.005,427 0.005,428 0.012,429 0.005,430 0.958,431 -0.059,432 3.061,433 0.767,434 -0.229,435 -0.233,436 -0.588,437 -0.227,438 0.788,439 -0.242,440 2.714,441 0.543,442 -0.398,443 -0.495,445 -1.013,446 -0.37,447 0.641,448 -0.593,449 2.45,450 0.302,451 -0.698,452 -0.865,454 -2.086,455 -0.697,456 0.158,457 -1,458 2.332,460 -1,461 -1,463 -3,464 -1,465 11.167,466 0.486,467 0.931,468 0.04,469 22.25,470 0.967,471 8.5,472 0.37,473 13.75,474 0.598,475 30.727,476 1.336,477 26.033,478 0.51,479 12.248,480 0.533,481 3.029,482 0.132,483 7.798,484 0.339,485 0.209,486 0.09,487 0.313,493 0.895,494 1.125,495 0.99,496 1.115,497 1,498 1.068,499 0.658,500 0.993,501 0.805,502 0.98,503 0.442,504 0.914,505 0.897,506 1.168,507 1.07,508 1.164,509 0.759,510 1.136,511 0.818,512 1.016,513 0.985,514 1.019,515 0.539,516 1.017,517 0.911,518 1.113,519 1.133,520 1.122,521 0.605,522 1.144,523 0.479,524 0.982,525 0.882,526 0.986,527 0.458,528 0.971,529 1.189,530 1.051,531 1.096,532 1.053,533 1.091,534 1.065,535 1.774,536 0.688,537 0.947,538 0.687,539 2.751,540 0.737,541 7,543 4.444,544 3.569,545 2.634,546 1.139,547 0.723,548 0.196,549 0.148,550 0.016,551 4481,552 7916,553 2.067,554 54.9,555 23,556 3,559 1,560 1,564 1.669,565 1.865,566 2.763,567 -0.455,573 60.449,574 1.185,575 2.944,576 4.045,577 4.947,578 4.947,579 4.947,580 2.262,581 3.795,582 4.499,583 2.873,584 726.886,585 7.807,586 7611.5,591 289.294,592 1.837,593 4.407,594 0.269,596 0.106,597 0.073,598 0.055,599 0.031,600 0.026,601 0.014,602 0.025,603 0.005,604 0.603,605 0.67,606 0.88,607 0.675,608 101.725,609 -0.018,610 0.066,611 0.061,612 0.068,613 -0.087,614 0.071,615 0.076,616 0.118,617 0.203,618 0.13,619 0.174,620 0.172,621 -0.027,622 -0.085,623 -0.063,624 -0.084,625 -0.005,626 -0.077,627 0.075,628 -0.014,629 -0.005,630 -0.015,631 0.081,632 -0.017,633 -0.08,634 -0.125,635 -0.167,636 -0.132,637 -0.049,638 -0.154,639 0.057,640 -0.045,641 0.036,642 -0.038,643 0.034,644 -0.007,645 -0.064,646 -0.14,647 -0.129,648 -0.141,649 -0.038,650 -0.141,651 -0.126,652 0.144,653 0.046,654 0.14,655 -0.272,656 0.112,657 1.375,658 3.833,659 0.783,660 12.953,661 0.981,662 1.122,663 4.227,664 17.869,665 0.639,666 3.296,667 3.761,668 4.111,669 4.489,670 4.771,671 5.004,672 5.136,673 5.283,674 5.371,675 5.384,676 4.287,677 0.584,678 312.49,679 3.296,680 4.92,681 5.832,682 6.797,683 7.732,684 8.703,685 9.647,686 10.62,687 11.568,688 12.54,703 2,704 3,707 1,709 3,711 10,728 1,731 51,733 10,734 1,735 26,737 54,738 21,739 8,740 3,741 3,746 4,747 10,752 4,753 2,754 2,755 5,756 2,758 5,761 8,762 13,763 2,780 1,781 28,782 2,783 1,784 2,794 0.25,795 2,811 1,812 2,813 1,815 1,816 1,817 1,840 1,844 4,848 23,853 1,854 5,858 2,860 2,870 3.9,872 1,875 1,877 12.333,878 10.283,879 4.694,880 3.494,881 2.122,882 1.275,883 0.926,884 3.31,885 9.838,886 3.466,887 4.131,888 4.75,889 5.408,890 5.959,891 6.388,892 6.787,893 7.162,894 7.249,895 7.414,896 0.8,897 49,898 8.602,900 3.825,901 7.435,902 17.369,904 15.933,905 1.935,906 44.5,907 0.001,910 317.82,911 92.446,914 52.191,917 92.446,918 370.01,920 35.301,921 12.673,922 28.429,923 42.683,924 15.266,925 10.285,926 317.82,928 317.82,929 92.446,930 52.191,933 317.82,934 52.191,937 47.973,938 44.472,941 317.82,942 52.191,943 92.446,946 317.82,947 28.716,948 63.73,950 52.191,951 317.82,952 52.191,953 92.446,955 0.62,956 0.373,957 0.209,958 0.119,959 25,960 11,963 3,964 1.333,965 3.188,966 215.041,967 0.333,968 18,969 102.042,974 15.413,975 4.939,976 2.148,977 2.073,978 52.191,979 5.651,982 6.286,984 2.906,986 42.683,987 462.456,988 31,999 50.025,1000 57.232,1001 0.209,1002 0.519,1003 0.713,1004 0.872,1005 0.872,1006 0.872,1007 4.816,1008 1.333,1009 5.938,1010 4.378,1011 4.443,1012 4.816,1014 6.954,1015 4.433,1016 6.088,1017 0.769,1018 7.639,1019 3.427,1020 4.511,1021 4.956,1023 8.507,1024 4.498,1025 7.478,1026 0.625,1027 9.459,1028 1.988,1029 6.315,1030 7.099,1032 11.655,1033 6.304,1034 8.902,1035 0.005,1036 11.352,1037 1.665,1038 7.148,1039 8.006,1041 13.988,1042 7.137,1043 10.36,1044 -0.229,1045 13.292,1046 0.012,1047 8.563,1048 9.745,1050 16.81,1051 8.554,1052 11.841,1053 -0.398,1054 15.264,1055 -0.588,1056 9.685,1057 10.991,1059 19.405,1060 9.678,1061 13.339,1062 -0.698,1063 17.26,1064 -1.013,1065 10.999,1066 12.592,1068 22.155,1069 10.993,1070 3.769,1071 -1,1072 19.273,1073 -2.086,1074 12.231,1075 13.995,1077 24.841,1078 12.227,1079 3.231,1080 15.628,1081 21.299,1082 -3,1083 13.527,1084 15.547,1086 27.579,1087 13.523,1088 2.791,1089 12.06,1090 23.336,1091 4.662,1092 14.803,1093 17.022,1095 30.299,1096 14.8,1097 2.543,1098 9.804,1099 25.382,1100 3.697,1101 16.102,1102 18.56,1104 33.038,1105 16.099,1106 2.122,1107 8.11,1108 27.434,1109 3.284,1110 17.398,1111 20.068,1113 35.773,1114 17.395,1115 1.647,1116 6.097,1117 29.493,1118 2.87,1119 18.703,1120 21.602,1122 38.515,1123 18.701,1124 1.564,1125 5.011,1126 31.556,1127 2.698,1128 20.009,1129 23.126,1131 41.257,1132 20.008,1133 4363,1134 5934,1135 16.701,1136 32.569,1137 41.359,1138 40.843,1139 43.248,1140 40.851,1141 40.799,1142 48.731,1144 136.36,1145 40.547,1146 5.901,1147 5.912,1148 7.459,1149 5.769,1150 5.769,1151 7.662,1153 24.74,1154 5.769,1155 12.493,1156 1.591,1157 1.571,1158 1.663,1159 1.571,1160 1.569,1161 1.874,1163 5.245,1164 1.559,1165 4.173,1166 4.185,1167 4.134,1168 4.092,1169 6.471,1170 4.099,1171 3.899,1172 3.933,1173 3.803,1174 3.813,1175 5.08,1176 3.806,1177 3.636,1178 3.691,1179 3.505,1180 3.526,1181 4.402,1182 3.512,1183 3.451,1184 3.517,1185 3.296,1186 3.331,1187 4.258,1188 3.313,1189 3.268,1190 3.341,1191 3.126,1192 3.106,1193 4.029,1194 3.093,1195 3.234,1196 3.286,1197 3.032,1198 3.069,1199 3.975,1200 3.058,1201 3.041,1202 3.135,1203 2.798,1204 2.829,1205 3.697,1206 2.805,1207 2.911,1208 3.009,1209 2.758,1210 2.763,1211 3.604,1212 2.757,1213 0.188,1214 0.15,1215 0.311,1216 0.183,1217 0.145,1218 4.901,1219 0.179,1220 3.912,1222 8.094,1223 0.601,1224 4.769,1225 0.145,1226 3.769,1227 4.662,1229 15.628,1230 3.769,1231 2.005,1232 1.977,1233 2.158,1234 2.095,1235 1.583,1236 2.117,1237 1.874,1238 1.849,1239 1.987,1240 1.974,1241 1.3,1242 1.974,1243 1.742,1244 1.706,1245 1.939,1246 1.894,1247 1.132,1248 1.912,1249 1.488,1250 1.427,1251 1.765,1252 1.662,1253 0.976,1254 1.7,1255 1.349,1256 1.278,1257 1.653,1258 1.545,1259 0.942,1260 1.585,1261 1.117,1262 1.019,1263 1.521,1264 1.37,1265 0.673,1266 1.427,1267 1.034,1268 0.977,1269 1.417,1270 1.286,1271 0.469,1272 1.308,1273 0.934,1274 0.889,1275 1.3,1276 1.239,1277 0.411,1278 1.288,1279 3.97,1281 5.398,1282 2.398,1283 7.022,1284 4.949,1285 8.742,1286 7.261,1287 10.516,1289 9.684,1294 9.833,1295 6.347,1299 1.153,1301 0.568,1305 29.805,1306 60.449,1307 150.135,1308 206.3,1309 252.274,1310 252.274,1311 252.274,1312 38.381,1313 7.716,1314 33.37,1315 33.37,1316 24,1317 13.02,1318 3.459,1319 2.585,1320 31.418,1321 59,1322 68,1323 0.278,1324 178.919,1325 307.64,1326 428.322,1327 21451,1329 16.405,1330 0.713,1331 0.643,1332 16.405,1333 14.778,1334 10.827,1335 0.416,1336 0.349,1337 9.044,1338 10.642,1339 8.626,1340 7.18,1341 10.827,1342 9.087,1343 11.223,1344 0.267,1345 0.21,1346 11.223,1347 8.812,1348 9.48,1349 0.158,1350 0.114,1351 9.48,1352 6.838,1353 8.573,1354 0.097,1355 0.065,1356 8.573,1357 5.719,1358 6.951,1359 0.059,1360 0.035,1361 6.951,1362 4.137,1363 0.401,1364 66.357,1365 0.245,1366 21.215,1367 0.891,1368 136,1369 261.885,1370 142.311,1371 258.123,1372 368.59,1373 242,1374 170,1375 290.303,1376 176.644,1377 297.441,1378 444.26,1379 280,1380 5}
{0 CHEMBL1630544,1 1.326,2 7,3 2.284,4 5.215,5 89.943,6 6.733,8 3.948,9 4.052,10 3.425,11 3.496,12 4.954,13 3.458,14 4.577,15 4.735,16 3.959,17 4.012,18 5.573,19 3.963,20 4.983,21 5.155,22 4.125,23 4.302,24 6.013,25 4.216,26 5.247,27 5.488,28 4.104,29 4.412,30 6.116,31 4.272,32 5.263,33 5.519,34 3.878,35 4.319,36 6.113,37 4.141,38 5.135,39 5.447,40 3.725,41 4.036,42 6.066,43 3.858,44 4.701,45 4.918,46 3.228,47 3.578,48 5.841,49 3.459,50 4.279,51 4.564,52 2.654,53 3.063,54 5.356,55 2.892,56 0.043,57 0.618,58 11.092,59 5.235,60 12.992,61 6.636,62 0.163,63 1.112,64 21.493,65 9.496,66 27.059,67 12.463,68 0.316,69 1.599,70 33.02,71 13.656,72 66.781,73 18.058,74 0.429,75 1.975,76 43.946,77 17.149,78 72.961,79 23.821,80 0.543,81 1.929,82 45.461,83 16.754,84 82.344,85 23.522,86 0.589,87 1.588,88 40.999,89 13.908,90 106.982,91 20.346,92 0.604,93 0.967,94 27.461,95 7.972,96 91.327,97 10.417,98 0.314,99 0.623,100 17.841,101 5.301,102 59.885,103 7.459,104 37,105 44,106 0.23,107 0.556,108 0.722,109 0.846,110 0.846,111 0.846,112 3.192,113 0.982,114 -4.31,115 -4.24,116 -4,119 40.4,120 3,121 5,122 1,123 2,131 1,135 2,136 2,138 2,156 1,172 14,175 5,178 1,180 3,183 23,187 4,190 1,192 5,195 26,198 1,199 4,204 6,207 23,212 3,215 1,217 3,220 11,224 5,227 1,228 1,229 7,232 5,237 4,242 3,245 3,250 2,255 3,263 3,275 603,276 14.598,277 14.598,278 14.598,279 14.598,280 14.598,281 13.869,282 13.963,283 7.745,284 14.646,285 12.763,286 12.763,287 12.763,288 12.763,289 12.763,290 11.473,291 20.77,292 3.602,293 12.856,294 4.229,295 2.358,296 1.399,297 0.686,298 0.686,299 0.686,300 3.874,303 1,304 1,305 1,306 350,307 3.464,310 25.249,311 106.654,314 99.061,315 59.507,318 1.043,319 33.86,320 1,321 1,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 50,331 161,332 4.978,333 4.247,334 8.236,335 4.864,336 3.867,337 4.296,338 1.824,339 16.259,340 3.857,341 4.466,342 3.599,343 7.484,344 4.374,345 3.38,346 3.63,347 0.472,348 13.186,349 3.36,350 4.145,351 3.52,352 6.794,353 3.855,354 2.859,355 3.342,357 10.628,358 2.842,359 3.845,360 3.018,361 6.244,362 3.812,363 2.811,364 2.869,366 9.242,367 2.811,368 3.544,369 2.666,370 5.718,371 3.241,372 2.25,373 2.665,375 7.294,376 2.226,377 3.246,378 2.171,379 5.276,380 2.706,381 1.734,382 2.342,384 5.553,385 1.67,386 2.616,387 1.743,388 4.739,389 2.553,390 1.552,391 1.579,393 4.321,394 1.553,395 2.485,396 1.542,397 4.254,398 2.179,399 1.177,400 1.356,402 3.047,403 1.175,404 2.047,405 1.121,406 3.76,407 1.845,408 0.869,409 0.989,411 2.25,412 0.837,413 1.298,414 0.533,415 3.402,416 1.078,417 0.078,418 0.079,420 0.228,421 0.078,422 1.098,423 0.314,424 3.251,425 0.965,426 -0.021,427 -0.022,428 -0.058,429 -0.02,430 0.903,431 0.115,432 3.105,433 0.707,434 -0.29,435 -0.296,436 -0.761,437 -0.288,438 0.748,439 -0.196,440 2.973,441 0.652,442 -0.347,443 -0.446,445 -0.974,446 -0.342,447 0.409,448 -0.257,449 2.659,450 0.205,451 -0.768,452 -0.875,454 -2.287,455 -0.742,456 0.172,457 -0.71,458 2.579,460 -1,461 -1,463 -3,464 -1,465 10.833,466 0.471,467 1.085,468 0.047,469 20.25,470 0.88,471 6,472 0.261,473 14.25,474 0.62,475 30.464,476 1.325,477 26.367,478 0.561,479 13.353,480 0.581,481 2.982,482 0.13,483 7.691,484 0.334,485 0.231,486 0.138,487 0.277,493 0.819,494 1.098,495 0.885,496 1.085,497 0.817,498 1.009,499 0.564,500 1.017,501 0.687,502 0.998,503 0.463,504 0.883,505 0.853,506 1.199,507 1.042,508 1.198,509 0.699,510 1.16,511 0.65,512 1.073,513 0.925,514 1.079,515 0.564,516 1.055,517 0.803,518 1.129,519 1.081,520 1.142,521 0.722,522 1.159,523 0.573,524 0.802,525 0.651,526 0.794,527 0.484,528 0.744,529 2.257,530 0.957,531 1.561,532 0.963,533 2.215,534 1.114,535 1.526,536 0.83,537 1.109,538 0.827,539 2.067,540 0.885,541 8.5,543 5.111,544 4.229,545 2.587,546 1.49,547 0.659,548 0.303,549 0.148,550 0.016,551 4454,552 10216,553 2.031,554 51.1,555 18,556 2,559 2,562 2,564 1.668,565 1.804,566 2.788,567 0.235,568 1,569 1,573 62.316,574 1.326,575 3.197,576 4.156,577 4.868,578 4.868,579 4.868,580 2.272,581 4.35,582 4.499,583 2.899,584 733.362,585 7.8,586 7643.65,588 1,590 1,591 261.066,592 1.925,593 4.383,594 0.327,596 0.116,597 0.086,598 0.056,599 0.045,600 0.023,601 0.02,602 0.018,603 0.005,604 0.697,605 0.33,606 1,607 0.702,608 101.84,609 -0.067,610 0.106,611 0.033,612 0.106,613 -0.105,614 0.09,615 0.149,616 0.112,617 0.238,618 0.127,619 0.145,620 0.188,621 0.003,622 -0.113,623 -0.097,624 -0.118,625 0.065,626 -0.124,627 0.054,628 -0.073,629 0.008,630 -0.069,631 0.061,632 -0.043,633 0.002,634 -0.165,635 -0.131,636 -0.171,637 -0.043,638 -0.174,639 0.207,640 0.083,641 0.314,642 0.109,643 0.226,644 0.213,645 -0.426,646 -0.049,647 -0.45,648 -0.083,649 -0.389,650 -0.244,651 -0.177,652 0.026,653 -0.059,654 0.027,655 -0.244,656 0.008,657 2.582,658 5.146,659 0.739,660 13.115,661 0.998,662 1.124,663 3.075,664 9.456,665 0.637,666 3.296,667 3.807,668 4.159,669 4.554,670 4.836,671 5.081,672 5.22,673 5.412,674 5.425,675 5.438,676 4.328,677 0.6,678 316.43,679 3.296,680 4.949,681 5.872,682 6.86,683 7.805,684 8.798,685 9.752,686 10.746,687 11.705,688 12.7,731 47,733 4,735 26,737 50,738 19,742 7,746 4,747 10,752 3,753 2,754 2,755 6,756 1,758 6,761 7,762 12,763 1,766 4,771 1,773 2,775 5,777 1,778 1,781 24,782 4,783 2,784 4,794 0.25,795 4,811 1,812 3,815 2,816 1,824 1,831 4,832 2,838 2,839 1,840 1,844 3,848 23,853 2,854 5,856 1,858 1,860 3,870 8.5,871 1,872 1,873 1,874 1,877 12.75,878 9.233,879 4.583,880 3.079,881 1.238,882 1.16,883 0.881,884 2.958,885 8.956,886 3.434,887 4.043,888 4.575,889 5.094,890 5.583,891 5.951,892 6.279,893 6.521,894 6.612,895 6.682,896 0.8,897 49,898 8.687,900 4.097,901 7.822,902 16.769,904 15.587,905 2.322,906 53.417,910 258.964,911 74.849,914 121.512,917 74.849,918 380.476,920 26.476,921 12.673,922 61.636,923 89.205,924 6.371,926 258.964,928 258.964,929 74.849,930 121.512,933 235.422,934 91.37,935 53.683,937 39.148,938 11.505,939 24.196,941 258.964,942 121.512,943 74.849,946 258.964,947 29.421,948 45.428,950 121.512,951 258.964,952 121.512,953 74.849,955 0.634,956 0.383,957 0.207,958 0.115,959 27,960 12,963 3,964 1.353,965 3.155,966 217.121,967 0.353,968 17,969 102.042,974 15.315,975 4.442,976 1.92,978 121.512,986 85.367,987 455.325,988 30,993 11.733,995 2.792,997 1.27,999 46.912,1000 52.82,1001 0.239,1002 0.576,1003 0.748,1004 0.876,1005 0.876,1006 0.876,1007 4.844,1008 1.177,1009 6.019,1010 4.321,1011 4.489,1012 4.727,1013 1.977,1014 7.081,1015 4.475,1016 6.138,1017 0.869,1018 7.755,1019 3.047,1020 4.691,1021 4.934,1022 1.391,1023 8.749,1024 4.68,1025 7.553,1026 0.078,1027 9.609,1028 2.25,1029 6.444,1030 6.905,1031 2.766,1032 11.892,1033 6.424,1034 8.997,1035 -0.021,1036 11.532,1037 0.228,1038 7.359,1039 7.808,1040 2.812,1041 14.284,1042 7.341,1043 10.47,1044 -0.29,1045 13.497,1046 -0.058,1047 8.764,1048 9.409,1049 3.771,1050 17.124,1051 8.74,1052 11.965,1053 -0.347,1054 15.491,1055 -0.761,1056 9.933,1057 10.599,1058 4.116,1059 19.758,1060 9.909,1061 13.475,1062 -0.768,1063 17.506,1064 -0.974,1065 11.257,1066 12.084,1067 4.884,1068 22.535,1069 11.229,1070 3.867,1071 -1,1072 19.535,1073 -2.287,1074 12.52,1075 13.404,1076 5.365,1077 25.255,1078 12.49,1079 3.38,1080 16.259,1081 21.577,1082 -3,1083 13.833,1084 14.852,1085 6.045,1086 28.024,1087 13.8,1088 2.859,1089 13.186,1090 23.629,1091 4.296,1092 15.134,1093 16.236,1094 6.59,1095 30.778,1096 15.099,1097 2.811,1098 10.628,1099 25.688,1100 3.63,1101 16.453,1102 17.675,1103 7.229,1104 33.55,1105 16.416,1106 2.25,1107 9.242,1108 27.754,1109 3.342,1110 17.771,1111 19.09,1112 7.803,1113 36.32,1114 17.732,1115 1.734,1116 7.294,1117 29.825,1118 2.869,1119 19.098,1120 20.531,1121 8.423,1122 39.096,1123 19.057,1124 1.552,1125 5.553,1126 31.901,1127 2.665,1128 20.428,1129 21.963,1130 9.01,1131 41.874,1132 20.384,1133 4370,1134 6782,1135 16.296,1136 29.955,1137 42.265,1138 42.855,1139 44.12,1140 41.168,1141 41.154,1142 46.293,1143 4.591,1144 144.014,1145 40.821,1146 5.978,1147 6.247,1148 7.601,1149 5.872,1150 5.867,1151 7.085,1152 3.11,1153 25.603,1154 5.857,1155 13.683,1156 1.626,1157 1.648,1158 1.697,1159 1.583,1160 1.583,1161 1.78,1162 0.177,1163 5.539,1164 1.57,1165 4.103,1166 4.124,1167 4.049,1168 4.025,1169 7.43,1170 4.026,1171 3.844,1172 3.866,1173 3.767,1174 3.747,1175 6.463,1176 3.749,1177 3.557,1178 3.593,1179 3.46,1180 3.414,1181 6.451,1182 3.415,1183 3.421,1184 3.495,1185 3.241,1186 3.285,1187 4.727,1188 3.264,1189 3.194,1190 3.265,1191 3.058,1192 3.002,1193 4.378,1194 2.998,1195 3.134,1196 3.176,1197 2.941,1198 2.947,1199 4.008,1200 2.947,1201 3.007,1202 3.037,1203 2.895,1204 2.854,1205 3.904,1206 2.856,1207 2.874,1208 3.009,1209 2.575,1210 2.618,1211 3.767,1212 2.57,1213 0.191,1214 0.163,1215 0.317,1216 0.187,1217 0.149,1218 4.978,1219 0.165,1220 4.247,1221 0.07,1222 8.236,1223 0.625,1224 4.864,1225 0.148,1226 3.867,1227 4.296,1228 1.824,1229 16.259,1230 3.857,1231 2.025,1232 1.995,1233 2.178,1234 2.121,1235 1.611,1236 2.141,1237 1.785,1238 1.773,1239 1.884,1240 1.902,1241 1.17,1242 1.889,1243 1.584,1244 1.543,1245 1.799,1246 1.769,1247 1.057,1248 1.781,1249 1.446,1250 1.377,1251 1.74,1252 1.632,1253 0.918,1254 1.673,1255 1.202,1256 1.121,1257 1.567,1258 1.438,1259 0.767,1260 1.484,1261 1.068,1262 1.029,1263 1.417,1264 1.308,1265 0.475,1266 1.308,1267 0.934,1268 0.911,1269 1.274,1270 1.239,1271 0.469,1272 1.296,1273 0.93,1274 0.804,1275 1.182,1276 1.164,1277 0.388,1278 1.144,1279 3.97,1281 5.434,1282 2.398,1283 7.099,1284 4.949,1285 8.865,1286 7.261,1287 10.685,1289 6.85,1294 21.023,1295 4.753,1297 5.824,1299 0.461,1301 -1.289,1305 28.181,1306 62.316,1307 150.263,1308 195.317,1309 228.801,1310 228.801,1311 228.801,1312 54.307,1313 7.718,1314 66.76,1315 66.76,1316 23,1317 13.167,1318 2.322,1319 2.322,1320 31.481,1321 59,1322 62,1323 0.278,1324 167.727,1325 312.42,1326 401.013,1327 20600,1329 16.621,1330 0.723,1331 0.608,1332 16.621,1333 13.979,1334 10.673,1335 0.411,1336 0.327,1337 8.438,1338 10.37,1339 8.11,1340 6.667,1341 10.673,1342 8.511,1343 11.625,1344 0.264,1345 0.192,1346 11.625,1347 8.428,1348 9.793,1349 0.155,1350 0.104,1351 9.793,1352 6.573,1353 8.9,1354 0.095,1355 0.06,1356 8.9,1357 5.673,1358 7.005,1359 0.056,1360 0.031,1361 7.005,1362 3.909,1363 0.401,1364 66.455,1365 0.248,1366 21.209,1367 0.886,1368 140,1369 339.77,1370 152.068,1371 324.419,1372 444.42,1373 300,1374 177,1375 334.97,1376 188.738,1377 338.132,1378 511.73,1379 318,1380 5.783}
{0 CHEMBL1630545,1 1.297,2 7.846,3 4.952,4 24.522,5 101.72,6 6.602,7 0.345,8 4.072,9 4.179,10 3.546,11 3.607,12 5.058,13 3.566,14 4.695,15 4.872,16 3.986,17 4.086,18 5.543,19 4.032,20 4.994,21 5.161,22 4.212,23 4.379,24 5.871,25 4.296,26 5.308,27 5.532,28 4.282,29 4.525,30 6.188,31 4.403,32 5.358,33 5.601,34 4.083,35 4.466,36 6.212,37 4.304,38 5.248,39 5.543,40 3.887,41 4.246,42 6.007,43 4.078,44 4.922,45 5.131,46 3.677,47 3.939,48 5.883,49 3.835,50 4.697,51 4.908,52 3.397,53 3.738,54 5.665,55 3.612,56 0.023,57 0.699,58 12.798,59 5.95,60 10.909,61 7.671,62 0.207,63 1.214,64 24.898,65 10.357,66 22.495,67 13.644,68 0.25,69 1.674,70 33.21,71 14.383,72 27.787,73 19.165,74 0.618,75 2.142,76 46.664,77 18.546,78 63.289,79 25.532,80 0.64,81 2.17,82 49.612,83 18.806,84 66.811,85 26.146,86 0.426,87 1.858,88 44.759,89 16.203,90 57.587,91 23.129,92 0.553,93 1.299,94 33.313,95 10.83,96 56.999,97 14.254,98 0.422,99 1.051,100 26.341,101 8.836,102 51.437,103 11.733,104 46,105 46,106 0.217,107 0.52,108 0.727,109 0.809,110 0.815,111 0.833,112 3.307,113 0.986,114 -4.48,115 -4.41,116 -4.15,119 40.7,120 3,121 5,122 1,123 2,124 2,142 1,143 3,144 2,152 2,155 1,172 14,175 7,183 23,186 1,187 6,195 26,198 3,199 6,207 23,211 2,212 6,220 11,224 11,232 5,237 11,245 3,250 7,263 6,275 826,276 17.391,277 17.391,278 17.391,279 17.391,280 17.391,281 16.226,282 16.012,283 9.485,284 17.71,285 14.07,286 14.07,287 14.07,288 14.07,289 14.07,290 11.953,291 15.128,292 4.113,293 14.381,294 4.458,295 2.648,296 1.408,297 0.922,298 0.885,299 0.774,300 3.995,304 1,305 1,306 437,307 3.606,310 28.953,311 130.135,314 117.459,315 73.589,318 1.189,319 25.606,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 56,331 204,332 4.926,333 3.915,334 8.093,335 4.774,336 3.774,337 4.774,338 0.86,339 15.615,340 3.773,341 4.575,342 3.433,343 7.17,344 4.284,345 3.293,346 3.917,347 0.86,348 12.162,349 3.269,350 4.185,351 3.176,352 6.803,353 3.995,354 3.01,355 3.467,357 11.028,358 2.965,359 3.795,360 2.84,361 6.214,362 3.53,363 2.555,364 3.048,366 8.954,367 2.486,368 3.498,369 2.699,370 5.659,371 3.138,372 2.163,373 2.746,375 7.121,376 2.097,377 3.314,378 2.259,379 5.292,380 2.989,381 1.997,382 2.551,384 6.303,385 1.979,386 2.621,387 2.237,388 4.943,389 2.528,390 1.533,391 1.627,393 4.536,394 1.525,395 2.538,396 1.681,397 4.45,398 2.248,399 1.289,400 1.504,402 3.495,403 1.236,404 2.42,405 1.499,406 3.817,407 2.018,408 1.064,409 1.289,411 2.394,412 0.995,413 2.105,414 1.168,415 3.683,416 1.976,417 0.972,418 1.087,420 2.132,421 0.965,422 1.7,423 1.055,424 3.262,425 1.271,426 0.371,427 0.414,428 0.616,429 0.322,430 1.518,431 0.722,432 3.149,433 1.227,434 0.244,435 0.332,436 0.341,437 0.239,438 1.143,439 0.199,440 3.067,441 1.045,442 0.054,443 0.057,445 0.141,446 0.053,447 0.924,448 0.031,449 2.741,450 0.746,451 -0.252,452 -0.256,454 -0.639,455 -0.25,456 0.789,457 -0.158,458 2.527,459 0.553,460 -0.456,461 -0.593,463 -0.916,464 -0.458,465 12.333,466 0.474,467 0.889,468 0.034,469 26.75,470 1.029,471 10.5,472 0.404,473 16.25,474 0.625,475 32.543,476 1.252,477 29.667,478 0.549,479 18.45,480 0.71,481 4.463,482 0.172,483 7.906,484 0.304,485 0.23,486 0.081,487 0.324,493 0.753,494 1.25,495 0.869,496 1.224,497 0.588,498 1.086,499 0.999,500 0.829,501 0.78,502 0.813,503 0.664,504 0.769,505 0.686,506 1.203,507 0.957,508 1.197,509 0.504,510 1.13,511 0.623,512 1.076,513 0.913,514 1.078,515 0.489,516 1.046,517 0.824,518 1.153,519 1.088,520 1.162,521 0.714,522 1.165,523 0.769,524 0.861,525 0.773,526 0.854,527 0.894,528 0.819,529 2.016,530 1.048,531 1.385,532 1.042,533 1.933,534 1.105,535 1.866,536 1.093,537 1.423,538 1.097,539 2.302,540 1.178,541 7,542 0.012,543 4.889,544 3.882,545 2.832,546 1.57,547 0.908,548 0.476,549 0.343,550 0.097,551 6215,552 13361,553 2.037,554 51.9,555 18,556 7,558 1,560 2,564 1.701,565 1.835,566 2.96,567 -0.836,573 70.05,574 1.297,575 3.107,576 4.347,577 4.833,578 4.87,579 4.981,580 2.436,581 4.547,582 4.674,583 3.088,584 1003.52,585 8.152,586 11526.8,588 1,591 310.764,592 1.826,593 4.581,594 0.241,595 0.004,596 0.106,597 0.071,598 0.051,599 0.037,600 0.025,601 0.018,602 0.017,603 0.009,604 0.579,605 0.5,606 1,607 1.028,608 121.446,609 0.011,610 -0.054,611 0.077,612 -0.039,613 0.029,614 0.02,615 -0.057,616 0.262,617 0.197,618 0.271,619 0.025,620 0.273,621 0.07,622 -0.092,623 -0.012,624 -0.09,625 0.059,626 -0.067,627 0.178,628 -0.052,629 0.042,630 -0.051,631 0.187,632 -0.03,633 0.057,634 -0.166,635 -0.124,636 -0.172,637 0.049,638 -0.176,639 0.037,640 0.062,641 0.188,642 0.081,643 0.017,644 0.147,645 -0.304,646 -0.088,647 -0.3,648 -0.106,649 -0.284,650 -0.189,651 -0.299,652 -0.124,653 -0.361,654 -0.148,655 -0.349,656 -0.248,657 1.216,658 4.851,659 0.654,660 17.734,661 0.994,662 1.123,663 3.252,664 10.578,665 0.638,666 3.401,667 3.85,668 4.248,669 4.635,670 4.905,671 5.153,672 5.366,673 5.587,674 5.677,675 5.733,676 4.881,677 0.597,678 356.5,679 3.401,680 5.017,681 5.943,682 6.911,683 7.856,684 8.831,685 9.783,686 10.76,687 11.716,688 12.694,703 2,704 1,707 1,709 5,711 10,712 1,729 2,731 54,733 11,734 1,735 29,737 57,738 22,739 8,740 5,741 1,742 1,746 4,747 10,752 3,753 2,754 2,755 5,756 1,758 5,761 9,762 13,763 1,766 1,771 1,773 1,780 1,781 28,782 4,784 4,794 0.25,795 4,811 1,812 3,815 2,816 1,840 1,844 5,848 26,854 5,856 2,858 1,860 2,870 7.4,873 1,875 3,877 14.167,878 11.417,879 5.667,880 3.451,881 2.234,882 1.279,883 0.932,884 4.145,885 10.234,886 3.584,887 4.238,888 4.919,889 5.602,890 6.179,891 6.681,892 7.157,893 7.561,894 7.743,895 7.948,896 1,897 55,898 9.694,900 4.244,901 7.596,902 19.091,904 16.862,905 2.096,906 54.5,908 1,909 1,910 329.591,911 111.531,914 56.652,917 111.531,918 386.243,920 48.242,921 12.673,922 9.476,923 48.34,924 50.938,925 10.285,926 317.82,928 329.591,929 111.531,930 56.652,933 329.591,934 56.652,937 39.148,938 60.958,939 11.424,941 329.591,942 56.652,943 111.531,946 329.591,947 42.389,948 69.142,950 56.652,951 329.591,952 56.652,953 111.531,955 0.602,956 0.391,957 0.229,958 0.121,959 26,960 12,961 0.053,962 3,963 3,964 1.353,965 3.398,966 251.845,967 0.353,968 17,969 120.211,974 17.91,975 6.018,976 2.394,977 1.664,978 56.652,979 1.999,982 6.27,984 3.82,987 497.774,988 35,993 11.851,995 0.823,999 53.68,1000 60.65,1001 0.225,1002 0.54,1003 0.755,1004 0.84,1005 0.846,1006 0.866,1007 4.924,1008 1.289,1009 6.038,1010 4.536,1011 4.533,1012 4.924,1013 1.376,1014 7.067,1015 4.504,1016 6.194,1017 1.064,1018 7.746,1019 3.495,1020 4.575,1021 5.094,1023 8.611,1024 4.55,1025 7.588,1026 0.972,1027 9.571,1028 2.394,1029 6.412,1030 7.25,1031 1.159,1032 11.762,1033 6.375,1034 9.021,1035 0.371,1036 11.464,1037 2.132,1038 7.238,1039 8.208,1041 14.07,1042 7.205,1043 10.489,1044 0.244,1045 13.401,1046 0.616,1047 8.66,1048 9.943,1049 0.963,1050 16.882,1051 8.624,1052 11.978,1053 0.054,1054 15.368,1055 0.341,1056 9.78,1057 11.231,1059 19.457,1060 9.746,1061 13.485,1062 -0.252,1063 17.356,1064 0.141,1065 11.093,1066 12.832,1067 0.787,1068 22.196,1069 11.06,1070 3.774,1071 -0.456,1072 19.361,1073 -0.639,1074 12.321,1075 14.266,1077 24.87,1078 12.29,1079 3.293,1080 15.615,1081 21.379,1082 -0.916,1083 13.614,1084 15.827,1085 0.634,1086 27.599,1087 13.584,1088 3.01,1089 12.162,1090 23.407,1091 4.774,1092 14.885,1093 17.327,1095 30.312,1096 14.858,1097 2.555,1098 11.028,1099 25.445,1100 3.917,1101 16.179,1102 18.878,1103 0.504,1104 33.045,1105 16.154,1106 2.163,1107 8.954,1108 27.49,1109 3.467,1110 17.471,1111 20.408,1113 35.775,1114 17.447,1115 1.997,1116 7.121,1117 29.541,1118 3.048,1119 18.772,1120 21.96,1121 0.395,1122 38.514,1123 18.75,1124 1.533,1125 6.303,1126 31.598,1127 2.746,1128 20.075,1129 23.505,1131 41.252,1132 20.054,1133 6142,1134 9188,1135 18.493,1136 34.478,1137 45.427,1138 47.41,1139 48.978,1140 44.583,1141 44.637,1142 53.629,1143 3.44,1144 149.675,1145 43.811,1146 5.926,1147 5.915,1148 7.634,1149 5.774,1150 5.774,1151 7.774,1152 1.72,1153 24.724,1154 5.773,1155 15.313,1156 1.566,1157 1.635,1158 1.689,1159 1.537,1160 1.539,1161 1.849,1162 0.119,1163 5.161,1164 1.511,1165 4.187,1166 4.194,1167 4.157,1168 4.104,1169 7.452,1170 4.114,1171 3.905,1172 3.934,1173 3.819,1174 3.818,1175 5.112,1176 3.814,1177 3.588,1178 3.621,1179 3.498,1180 3.45,1181 4.752,1182 3.452,1183 3.414,1184 3.489,1185 3.245,1186 3.278,1187 4.493,1188 3.256,1189 3.323,1190 3.363,1191 3.199,1192 3.069,1193 4.387,1194 3.097,1195 3.272,1196 3.327,1197 3.113,1198 3.065,1199 3.999,1200 3.071,1201 3.17,1202 3.248,1203 2.982,1204 2.972,1205 3.948,1206 2.947,1207 3.153,1208 3.214,1209 2.917,1210 2.884,1211 3.76,1212 2.888,1213 0.17,1214 0.135,1215 0.279,1216 0.165,1217 0.13,1218 4.926,1219 0.165,1220 3.915,1221 0.03,1222 8.093,1223 0.538,1224 4.774,1225 0.13,1226 3.774,1227 4.774,1228 0.86,1229 15.615,1230 3.773,1231 2.037,1232 2.011,1233 2.182,1234 2.124,1235 1.609,1236 2.145,1237 1.891,1238 1.882,1239 1.956,1240 2.01,1241 1.184,1242 1.988,1243 1.604,1244 1.562,1245 1.825,1246 1.767,1247 1.111,1248 1.787,1249 1.444,1250 1.375,1251 1.742,1252 1.633,1253 0.994,1254 1.673,1255 1.236,1256 1.193,1257 1.576,1258 1.543,1259 0.764,1260 1.547,1261 1.217,1262 1.157,1263 1.575,1264 1.518,1265 0.58,1266 1.533,1267 1.174,1268 1.087,1269 1.551,1270 1.422,1271 0.575,1272 1.472,1273 1.113,1274 1.046,1275 1.417,1276 1.346,1277 0.469,1278 1.345,1279 4.078,1281 5.493,1282 2.398,1283 7.133,1284 4.844,1285 8.882,1286 7.096,1287 10.688,1289 10.369,1295 5.722,1297 10.979,1299 0.616,1301 0.388,1305 32.234,1306 70.05,1307 167.798,1308 234.725,1309 260.989,1310 262.989,1311 268.989,1312 49.721,1313 8,1314 48.67,1315 48.67,1316 23,1317 13.17,1318 3.585,1319 2.807,1320 37.633,1321 77,1322 74,1323 0.257,1324 193.576,1325 339.88,1326 464.086,1327 29106,1329 18.69,1330 0.719,1331 0.631,1332 18.69,1333 16.401,1334 12.369,1335 0.427,1336 0.329,1337 9.404,1338 11.87,1339 8.958,1340 7.461,1341 12.369,1342 9.531,1343 11.875,1344 0.258,1345 0.191,1346 11.875,1347 8.771,1348 10.705,1349 0.155,1350 0.102,1351 10.705,1352 7.009,1353 9.994,1354 0.098,1355 0.058,1356 9.994,1357 5.941,1358 7.854,1359 0.059,1360 0.03,1361 7.854,1362 4.058,1363 0.377,1364 77.966,1365 0.233,1366 23.778,1367 0.794,1368 150,1369 386.942,1370 161.404,1371 360.494,1372 499.76,1373 340,1374 190,1375 371.091,1376 202.735,1377 378.758,1378 565.03,1379 352,1380 5.291}
{0 CHEMBL1630546,1 1.325,2 7.167,3 4.45,4 19.802,5 92.182,6 6.842,7 0.37,8 3.968,9 4.07,10 3.457,11 3.526,12 5.021,13 3.489,14 4.569,15 4.731,16 3.938,17 4.032,18 5.492,19 3.977,20 4.953,21 5.124,22 4.148,23 4.317,24 5.957,25 4.232,26 5.248,27 5.481,28 4.163,29 4.429,30 6.22,31 4.299,32 5.234,33 5.488,34 3.915,35 4.324,36 6.152,37 4.149,38 5.076,39 5.384,40 3.698,41 4.057,42 5.831,43 3.883,44 4.678,45 4.865,46 3.474,47 3.697,48 5.826,49 3.604,50 4.518,51 4.767,52 3.053,53 3.348,54 5.674,55 3.227,56 0.042,57 0.622,58 11.051,59 5.277,60 12.335,61 6.637,62 0.072,63 1.11,64 20.835,65 9.521,66 18.617,67 12.454,68 0.223,69 1.586,70 31.219,71 13.616,72 47.693,73 17.989,74 0.638,75 1.992,76 44.124,77 17.263,78 93.306,79 23.748,80 0.555,81 1.924,82 43.924,83 16.774,84 84.365,85 23.475,86 0.347,87 1.577,88 38.394,89 13.856,90 58.43,91 20.016,92 0.415,93 1.025,94 25.881,95 8.493,96 68.299,97 10.811,98 0.461,99 0.813,100 23.004,101 6.771,102 84.931,103 8.956,104 38,105 44,106 0.227,107 0.575,108 0.741,109 0.835,110 0.842,111 0.842,112 3.232,113 0.973,114 -4.55,115 -4.48,116 -4.21,119 41.7,120 3,121 5,122 1,123 2,142 1,143 3,144 2,152 2,155 1,172 14,175 5,180 2,183 23,187 3,191 1,192 3,195 26,198 1,199 4,202 2,204 2,207 23,212 4,215 2,217 2,220 11,224 5,229 6,232 5,237 4,242 7,245 3,250 2,255 5,263 3,268 3,275 664,276 15.651,277 15.651,278 15.651,279 15.651,280 15.651,281 14.381,282 11.698,283 8.426,284 15.693,285 13.185,286 13.185,287 13.185,288 13.185,289 13.185,290 11.095,291 8.832,292 3.803,293 13.282,294 4.26,295 2.233,296 1.261,297 0.714,298 0.672,299 0.672,300 3.917,304 1,305 1,306 371,307 3.317,310 25.752,311 114.344,314 104.191,315 63.877,318 1.111,319 32.094,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 52,331 172,332 4.924,333 3.915,334 8.093,335 4.773,336 3.774,337 4.769,339 15.615,340 3.773,341 4.563,342 3.383,343 7.166,344 4.275,345 3.281,346 3.899,348 12.119,349 3.265,350 4.165,351 3.151,352 6.754,353 3.976,354 2.986,355 3.448,357 10.793,358 2.955,359 3.764,360 2.755,361 6.139,362 3.494,363 2.512,364 3.017,366 8.59,367 2.462,368 3.468,369 2.678,370 5.55,371 3.084,372 2.103,373 2.732,375 6.684,376 2.055,377 3.301,378 2.221,379 5.261,380 2.976,381 1.981,382 2.538,384 6.23,385 1.967,386 2.61,387 1.996,388 4.924,389 2.523,390 1.524,391 1.604,393 4.478,394 1.522,395 2.533,396 1.553,397 4.395,398 2.217,399 1.216,400 1.483,402 3.317,403 1.215,404 2.289,405 1.344,406 3.699,407 1.98,408 0.953,409 1.143,411 2.338,412 0.972,413 2.048,414 1.023,415 3.392,416 1.717,417 0.729,418 0.928,420 1.464,421 0.704,422 1.309,423 0.545,424 3.258,425 1.072,426 0.068,427 0.073,428 0.188,429 0.069,430 1.16,431 0.193,432 3.129,433 0.888,434 -0.083,435 -0.103,436 -0.179,437 -0.08,438 1.013,439 -0.077,440 3.026,441 0.725,442 -0.281,443 -0.298,445 -0.669,446 -0.28,447 0.741,448 -0.26,449 2.606,450 0.657,451 -0.349,452 -0.48,454 -0.847,455 -0.351,456 0.29,457 -0.625,458 2.486,459 0.069,460 -0.914,461 -1,463 -2.746,464 -0.89,465 11.333,466 0.472,467 0.965,468 0.04,469 25.25,470 1.052,471 10.5,472 0.438,473 14.75,474 0.615,475 28.792,476 1.2,477 27.067,478 0.564,479 16.997,480 0.708,481 3.974,482 0.166,483 7.318,484 0.305,485 0.221,486 0.088,487 0.353,493 0.82,494 1.067,495 0.872,496 1.054,497 0.768,498 0.984,499 0.595,500 0.966,501 0.703,502 0.951,503 0.489,504 0.862,505 0.647,506 1.214,507 0.959,508 1.212,509 0.483,510 1.15,511 0.614,512 1.027,513 0.915,514 1.036,515 0.492,516 1.029,517 0.636,518 1.127,519 1.023,520 1.142,521 0.519,522 1.149,523 0.585,524 0.801,525 0.668,526 0.795,527 0.543,528 0.753,529 1.954,530 1.225,531 1.481,532 1.217,533 1.885,534 1.26,535 2.002,536 0.825,537 1.285,538 0.819,539 2.498,540 0.912,541 7,543 4.889,544 3.757,545 2.592,546 1.389,547 0.756,548 0.429,549 0.23,550 0.031,551 5047,552 11819,553 2.04,554 50,555 18,556 1,558 1,559 2,560 2,564 1.679,565 1.823,566 2.858,567 0.214,569 1,573 63.601,574 1.325,575 3.352,576 4.324,577 4.871,578 4.913,579 4.913,580 2.289,581 4.335,582 4.56,583 2.98,584 822.356,585 7.919,586 8901.11,588 1,590 1,591 268.078,592 1.855,593 4.458,594 0.259,596 0.111,597 0.074,598 0.053,599 0.04,600 0.025,601 0.02,602 0.018,603 0.005,604 0.605,605 0.33,606 1,607 0.882,608 108.545,609 -0.067,610 0.102,611 0.03,612 0.102,613 -0.057,614 0.086,615 0.027,616 0.142,617 0.198,618 0.157,619 0.061,620 0.2,621 0.065,622 -0.134,623 -0.044,624 -0.134,625 0.108,626 -0.111,627 0.158,628 -0.032,629 0.03,630 -0.035,631 0.158,632 -0.026,633 0.099,634 -0.16,635 -0.079,636 -0.164,637 0.098,638 -0.154,639 0.085,640 0.109,641 0.29,642 0.136,643 0.058,644 0.232,645 -0.312,646 -0.259,647 -0.412,648 -0.278,649 -0.292,650 -0.35,651 -0.307,652 0.06,653 -0.183,654 0.048,655 -0.36,656 -0.032,657 2.061,658 4.441,659 0.708,660 14.528,661 0.998,662 1.121,663 3.322,664 11.033,665 0.645,666 3.332,667 3.807,668 4.19,669 4.564,670 4.836,671 5.081,672 5.268,673 5.472,674 5.549,675 5.591,676 4.564,677 0.608,678 328.44,679 3.332,680 4.963,681 5.889,682 6.86,683 7.804,684 8.78,685 9.732,686 10.71,687 11.664,688 12.643,703 2,704 1,707 1,709 5,711 10,712 1,728 2,731 48,733 11,734 1,735 27,737 51,738 20,739 8,740 5,741 1,742 1,746 4,747 10,752 3,753 2,754 2,755 5,756 1,758 5,761 9,762 11,763 1,766 1,771 1,773 1,778 1,780 1,781 24,782 4,783 2,784 4,794 0.25,795 4,811 1,812 3,815 2,816 1,840 1,844 3,848 24,853 2,854 5,858 1,860 2,870 8.3,872 2,873 1,875 1,877 13.167,878 9.483,879 5,880 3.135,881 2.241,882 1.286,883 0.911,884 3.344,885 10.078,886 3.526,887 4.208,888 4.874,889 5.551,890 6.121,891 6.604,892 7.054,893 7.439,894 7.602,895 7.801,896 0.8,897 51,898 8.996,900 4.131,901 7.813,902 17.424,904 15.91,905 2.313,906 55.5,909 1,910 258.964,911 79.278,914 120.019,917 79.278,918 378.983,920 26.476,921 12.673,922 9.476,923 133.707,924 18.451,925 10.285,926 247.193,928 258.964,929 79.278,930 120.019,933 258.964,934 120.019,937 39.148,938 28.705,939 11.424,941 258.964,942 120.019,943 79.278,946 258.964,947 31.902,948 47.376,950 120.019,951 258.964,952 120.019,953 79.278,955 0.619,956 0.391,957 0.217,958 0.115,959 26,960 12,961 0.02,962 1,963 3,964 1.353,965 3.252,966 227.286,967 0.353,968 17,969 108.039,974 16.013,975 5.012,976 2.037,977 1.197,978 120.019,979 1.565,982 6.028,984 1.451,986 85.367,987 458.261,988 33,993 11.441,995 0.566,999 47.912,1000 53.82,1001 0.237,1002 0.6,1003 0.774,1004 0.872,1005 0.88,1006 0.88,1007 4.879,1008 1.216,1009 5.999,1010 4.478,1011 4.489,1012 4.894,1014 7.031,1015 4.475,1016 6.165,1017 0.953,1018 7.713,1019 3.317,1020 4.575,1021 5.094,1023 8.58,1024 4.55,1025 7.565,1026 0.729,1027 9.542,1028 2.338,1029 6.378,1030 7.23,1032 11.731,1033 6.358,1034 9,1035 0.068,1036 11.438,1037 1.464,1038 7.223,1039 8.196,1041 14.043,1042 7.197,1043 10.469,1044 -0.083,1045 13.377,1046 0.188,1047 8.635,1048 9.926,1050 16.86,1051 8.613,1052 11.958,1053 -0.281,1054 15.345,1055 -0.179,1056 9.762,1057 11.216,1059 19.438,1060 9.738,1061 13.465,1062 -0.349,1063 17.335,1064 -0.669,1065 11.073,1066 12.816,1068 22.182,1069 11.052,1070 3.774,1071 -0.914,1072 19.341,1073 -0.847,1074 12.305,1075 14.251,1077 24.858,1078 12.284,1079 3.281,1080 15.615,1081 21.361,1082 -2.746,1083 13.597,1084 15.811,1086 27.59,1087 13.578,1088 2.986,1089 12.119,1090 23.391,1091 4.769,1092 14.871,1093 17.311,1095 30.304,1096 14.852,1097 2.512,1098 10.793,1099 25.43,1100 3.899,1101 16.166,1102 18.862,1104 33.039,1105 16.149,1106 2.103,1107 8.59,1108 27.477,1109 3.448,1110 17.458,1111 20.392,1113 35.771,1114 17.442,1115 1.981,1116 6.684,1117 29.529,1118 3.017,1119 18.76,1120 21.943,1122 38.51,1123 18.745,1124 1.524,1125 6.23,1126 31.587,1127 2.732,1128 20.064,1129 23.488,1131 41.249,1132 20.05,1133 4961,1134 7784,1135 17.107,1136 30.955,1137 43.06,1138 44.662,1139 45.561,1140 42.337,1141 42.255,1142 51.273,1144 143.631,1145 41.916,1146 5.924,1147 5.915,1148 7.597,1149 5.773,1150 5.774,1151 7.769,1153 24.723,1154 5.773,1155 14.305,1156 1.595,1157 1.654,1158 1.687,1159 1.568,1160 1.565,1161 1.899,1163 5.32,1164 1.552,1165 4.185,1166 4.192,1167 4.153,1168 4.102,1169 7.453,1170 4.111,1171 3.902,1172 3.931,1173 3.815,1174 3.815,1175 6.528,1176 3.812,1177 3.566,1178 3.603,1179 3.474,1180 3.441,1181 6.401,1182 3.44,1183 3.414,1184 3.489,1185 3.234,1186 3.278,1187 5.051,1188 3.256,1189 3.239,1190 3.262,1191 3.156,1192 3.047,1193 4.389,1194 3.061,1195 3.202,1196 3.25,1197 3.072,1198 3,1199 4.031,1200 3.011,1201 3.136,1202 3.193,1203 2.904,1204 2.942,1205 3.997,1206 2.93,1207 2.874,1208 3.009,1209 2.602,1210 2.618,1211 3.762,1212 2.57,1213 0.182,1214 0.145,1215 0.3,1216 0.177,1217 0.14,1218 4.924,1219 0.177,1220 3.915,1222 8.093,1223 0.578,1224 4.773,1225 0.14,1226 3.774,1227 4.769,1229 15.615,1230 3.773,1231 2.036,1232 2.01,1233 2.182,1234 2.123,1235 1.609,1236 2.144,1237 1.885,1238 1.877,1239 1.949,1240 2,1241 1.176,1242 1.978,1243 1.603,1244 1.562,1245 1.823,1246 1.766,1247 1.102,1248 1.787,1249 1.442,1250 1.372,1251 1.741,1252 1.628,1253 0.987,1254 1.671,1255 1.196,1256 1.142,1257 1.564,1258 1.43,1259 0.763,1260 1.479,1261 1.168,1262 1.113,1263 1.417,1264 1.402,1265 0.469,1266 1.377,1267 0.934,1268 0.906,1269 1.344,1270 1.239,1271 0.469,1272 1.308,1273 0.921,1274 0.869,1275 1.184,1276 1.217,1277 0.387,1278 1.173,1279 4.007,1281 5.442,1282 2.398,1283 7.091,1284 4.844,1285 8.843,1286 7.096,1287 10.65,1289 7.001,1294 20.077,1295 5.389,1299 0.544,1301 0.241,1305 29.181,1306 63.601,1307 160.885,1308 207.549,1309 233.814,1310 235.814,1311 235.814,1312 53.914,1313 7.836,1314 70.67,1315 70.67,1316 23,1317 13.119,1318 3.585,1319 2.807,1320 33.503,1321 66,1322 62,1323 0.266,1324 174.392,1325 305.28,1326 417.276,1327 23972,1329 17.276,1330 0.72,1331 0.603,1332 17.276,1333 14.479,1334 11.293,1335 0.418,1336 0.324,1337 8.679,1338 10.966,1339 8.34,1340 6.884,1341 11.293,1342 8.753,1343 11.471,1344 0.261,1345 0.191,1346 11.471,1347 8.404,1348 10.196,1349 0.157,1350 0.102,1351 10.196,1352 6.62,1353 9.222,1354 0.097,1355 0.059,1356 9.222,1357 5.599,1358 7.169,1359 0.057,1360 0.031,1361 7.169,1362 3.817,1363 0.388,1364 70.434,1365 0.242,1366 22.112,1367 0.833,1368 142,1369 355.77,1370 151.854,1371 340.502,1372 466.34,1373 316,1374 180,1375 348.061,1376 190.742,1377 353.835,1378 529.43,1379 332,1380 7.18}
{0 CHEMBL1630547,1 1.311,2 7.36,3 4.701,4 22.099,5 96.951,6 6.715,7 0.357,8 4.021,9 4.126,10 3.503,11 3.567,12 5.04,13 3.528,14 4.634,15 4.804,16 3.962,17 4.06,18 5.516,19 4.005,20 4.974,21 5.142,22 4.181,23 4.349,24 5.911,25 4.264,26 5.278,27 5.507,28 4.218,29 4.476,30 6.231,31 4.349,32 5.297,33 5.549,34 3.986,35 4.392,36 6.154,37 4.221,38 5.145,39 5.446,40 3.818,41 4.154,42 5.882,43 3.986,44 4.817,45 5.006,46 3.614,47 3.841,48 5.88,49 3.752,50 4.64,51 4.863,52 3.241,53 3.604,54 5.7,55 3.47,56 0.032,57 0.661,58 11.924,59 5.616,60 11.33,61 7.159,62 0.142,63 1.163,64 22.909,65 9.947,66 20.614,67 13.058,68 0.237,69 1.63,70 32.221,71 13.998,72 35.042,73 18.577,74 0.625,75 2.065,76 45.355,77 17.891,78 87.53,79 24.625,80 0.619,81 2.04,82 46.787,83 17.734,84 70.021,85 24.759,86 0.314,87 1.7,88 40.409,89 14.912,90 49.303,91 21.461,92 0.531,93 1.167,94 30.051,95 9.644,96 63.848,97 12.336,98 0.431,99 0.969,100 25.175,101 8.126,102 69.035,103 10.767,104 41,105 45,106 0.222,107 0.559,108 0.757,109 0.837,110 0.837,111 0.837,112 3.27,113 0.98,114 -4.77,115 -4.69,116 -4.4,119 41.2,120 3,121 5,122 1,123 2,124 1,142 1,143 3,144 2,152 2,155 1,172 14,175 6,180 1,183 23,187 5,190 1,192 1,195 26,198 1,199 5,202 2,204 1,207 23,211 2,212 5,217 1,220 11,224 9,229 2,232 5,237 7,242 4,245 3,250 5,255 2,263 3,268 3,275 751,276 16.521,277 16.521,278 16.521,279 16.521,280 16.521,281 15.303,282 13.855,283 8.949,284 16.701,285 13.622,286 13.622,287 13.622,288 13.622,289 13.622,290 11.522,291 11.98,292 3.958,293 13.827,294 4.362,295 2.369,296 1.202,297 0.726,298 0.726,299 0.726,300 3.956,304 1,305 1,306 395,307 3.464,310 27.34,311 122.007,314 110.782,315 68.548,318 1.094,319 28.963,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 54,331 184,332 4.925,333 3.915,334 8.093,335 4.773,336 3.774,337 4.771,338 0.86,339 15.615,340 3.773,341 4.568,342 3.401,343 7.167,344 4.279,345 3.285,346 3.905,348 12.131,349 3.266,350 4.172,351 3.161,352 6.767,353 3.983,354 2.995,355 3.456,357 10.854,358 2.959,359 3.783,360 2.823,361 6.163,362 3.511,363 2.534,364 3.044,366 8.718,367 2.472,368 3.497,369 2.693,370 5.637,371 3.138,372 2.163,373 2.741,375 7.081,376 2.096,377 3.304,378 2.258,379 5.285,380 2.976,381 1.981,382 2.544,384 6.249,385 1.969,386 2.616,387 2.088,388 4.94,389 2.523,390 1.524,391 1.614,393 4.503,394 1.522,395 2.536,396 1.576,397 4.434,398 2.229,399 1.239,400 1.501,402 3.425,403 1.224,404 2.329,405 1.465,406 3.739,407 1.986,408 0.986,409 1.152,411 2.381,412 0.98,413 2.091,414 1.165,415 3.495,416 1.836,417 0.864,418 1.044,420 1.633,421 0.818,422 1.593,423 0.729,424 3.261,425 1.268,426 0.334,427 0.405,428 0.609,429 0.308,430 1.287,431 0.497,432 3.149,433 1.067,434 0.06,435 0.065,436 0.153,437 0.06,438 1.06,439 0.139,440 3.063,441 0.78,442 -0.207,443 -0.228,445 -0.401,446 -0.201,447 0.85,448 -0.157,449 2.739,450 0.723,451 -0.29,452 -0.362,454 -0.675,455 -0.291,456 0.717,457 -0.291,458 2.511,459 0.482,460 -0.483,461 -0.593,463 -1.184,464 -0.468,465 11.833,466 0.473,467 0.927,468 0.037,469 26,470 1.04,471 10.5,472 0.42,473 15.5,474 0.62,475 30.644,476 1.226,477 28.367,478 0.556,479 17.72,480 0.709,481 4.219,482 0.169,483 7.612,484 0.304,485 0.225,486 0.085,487 0.338,493 0.786,494 1.163,495 0.87,496 1.143,497 0.697,498 1.038,499 0.799,500 0.894,501 0.743,502 0.878,503 0.558,504 0.813,505 0.667,506 1.209,507 0.958,508 1.205,509 0.501,510 1.14,511 0.62,512 1.062,513 0.922,514 1.068,515 0.491,516 1.048,517 0.739,518 1.106,519 1.05,520 1.119,521 0.69,522 1.133,523 0.559,524 0.865,525 0.671,526 0.855,527 0.506,528 0.792,529 2.163,530 1.108,531 1.492,532 1.101,533 1.902,534 1.174,535 1.88,536 1.073,537 1.429,538 1.076,539 2.46,540 1.164,541 7,543 4.889,544 3.882,545 2.632,546 1.507,547 0.852,548 0.444,549 0.312,550 0.047,551 5606,552 12574,553 2.038,554 51,555 18,556 4,558 1,559 1,560 2,564 1.69,565 1.829,566 2.895,567 -0.396,573 66.844,574 1.311,575 3.304,576 4.471,577 4.947,578 4.947,579 4.947,580 2.238,581 4.484,582 4.618,583 3.02,584 905.883,585 8.039,586 10153.7,588 1,591 289.294,592 1.842,593 4.521,594 0.25,596 0.109,597 0.073,598 0.051,599 0.04,600 0.025,601 0.018,602 0.019,603 0.005,604 0.59,605 0.5,606 1,607 0.971,608 114.947,609 -0.028,610 0.02,611 0.055,612 0.028,613 -0.022,614 0.051,615 -0.017,616 0.206,617 0.198,618 0.218,619 0.042,620 0.24,621 0.067,622 -0.113,623 -0.028,624 -0.111,625 0.084,626 -0.089,627 0.167,628 -0.053,629 0.026,630 -0.054,631 0.202,632 -0.04,633 0.07,634 -0.132,635 -0.097,636 -0.139,637 0.021,638 -0.144,639 0.1,640 0.058,641 0.274,642 0.086,643 0.079,644 0.192,645 -0.36,646 -0.141,647 -0.397,648 -0.165,649 -0.288,650 -0.27,651 -0.303,652 -0.134,653 -0.363,654 -0.156,655 -0.384,656 -0.253,657 1.804,658 4.612,659 0.68,660 16.045,661 0.996,662 1.122,663 3.545,664 12.565,665 0.641,666 3.367,667 3.829,668 4.22,669 4.595,670 4.868,671 5.124,672 5.323,673 5.525,674 5.613,675 5.663,676 4.715,677 0.602,678 342.47,679 3.367,680 4.99,681 5.916,682 6.884,683 7.829,684 8.804,685 9.756,686 10.734,687 11.689,688 12.667,703 2,704 1,707 1,709 5,711 10,712 1,728 1,729 1,731 51,733 11,734 1,735 28,737 54,738 21,739 8,740 5,741 1,742 1,746 4,747 10,752 3,753 2,754 2,755 5,756 1,758 5,761 9,762 12,763 1,766 1,771 1,773 1,780 1,781 26,782 4,783 1,784 4,794 0.25,795 4,811 1,812 3,815 2,816 1,840 1,844 4,848 25,853 1,854 5,856 1,858 1,860 2,870 7.8,872 1,873 1,875 2,877 13.667,878 10.45,879 5.333,880 3.293,881 2.235,882 1.282,883 0.922,884 3.735,885 10.156,886 3.555,887 4.223,888 4.897,889 5.574,890 6.148,891 6.648,892 7.109,893 7.497,894 7.672,895 7.882,896 0.8,897 53,898 9.346,900 4.188,901 7.7,902 18.257,904 16.386,905 2.2,906 55,908 1,909 1,910 294.278,911 95.404,914 88.336,917 95.404,918 382.613,920 37.359,921 12.673,922 9.476,923 91.024,924 34.695,925 10.285,926 282.506,928 294.278,929 95.404,930 88.336,933 294.278,934 88.336,937 39.148,938 44.832,939 11.424,941 294.278,942 88.336,943 95.404,946 294.278,947 37.145,948 58.259,950 88.336,951 294.278,952 88.336,953 95.404,955 0.61,956 0.391,957 0.221,958 0.116,959 26,960 12,961 0.037,962 2,963 3,964 1.353,965 3.327,966 239.404,967 0.353,968 17,969 114.096,974 16.96,975 5.506,976 2.209,977 1.431,978 88.336,979 1.842,982 6.128,984 2.592,986 42.683,987 478.017,988 34,993 11.612,995 0.666,999 50.796,1000 57.235,1001 0.231,1002 0.582,1003 0.788,1004 0.872,1005 0.872,1006 0.872,1007 4.902,1008 1.239,1009 6.019,1010 4.503,1011 4.511,1012 4.909,1013 0.908,1014 7.048,1015 4.49,1016 6.179,1017 0.986,1018 7.73,1019 3.425,1020 4.575,1021 5.094,1023 8.593,1024 4.55,1025 7.576,1026 0.864,1027 9.556,1028 2.381,1029 6.395,1030 7.24,1031 0.739,1032 11.744,1033 6.366,1034 9.011,1035 0.334,1036 11.451,1037 1.633,1038 7.231,1039 8.202,1041 14.052,1042 7.201,1043 10.479,1044 0.06,1045 13.388,1046 0.609,1047 8.647,1048 9.934,1049 0.593,1050 16.868,1051 8.618,1052 11.968,1053 -0.207,1054 15.355,1055 0.153,1056 9.77,1057 11.223,1059 19.444,1060 9.741,1061 13.475,1062 -0.29,1063 17.344,1064 -0.401,1065 11.082,1066 12.823,1067 0.469,1068 22.186,1069 11.055,1070 3.774,1071 -0.483,1072 19.349,1073 -0.675,1074 12.312,1075 14.258,1077 24.861,1078 12.286,1079 3.285,1080 15.615,1081 21.368,1082 -1.184,1083 13.604,1084 15.818,1085 0.366,1086 27.592,1087 13.58,1088 2.995,1089 12.131,1090 23.397,1091 4.771,1092 14.876,1093 17.318,1095 30.306,1096 14.854,1097 2.534,1098 10.854,1099 25.436,1100 3.905,1101 16.171,1102 18.869,1103 0.283,1104 33.041,1105 16.15,1106 2.163,1107 8.718,1108 27.481,1109 3.456,1110 17.463,1111 20.399,1113 35.772,1114 17.444,1115 1.981,1116 7.081,1117 29.533,1118 3.044,1119 18.765,1120 21.95,1121 0.217,1122 38.511,1123 18.747,1124 1.524,1125 6.249,1126 31.591,1127 2.741,1128 20.068,1129 23.495,1131 41.25,1132 20.051,1133 5527,1134 8466,1135 17.8,1136 32.716,1137 44.257,1138 46.107,1139 47.251,1140 43.479,1141 43.478,1142 52.488,1143 1.72,1144 146.705,1145 42.894,1146 5.925,1147 5.915,1148 7.616,1149 5.773,1150 5.774,1151 7.771,1152 1.72,1153 24.723,1154 5.773,1155 14.808,1156 1.581,1157 1.647,1158 1.688,1159 1.553,1160 1.553,1161 1.875,1162 0.061,1163 5.239,1164 1.532,1165 4.186,1166 4.193,1167 4.155,1168 4.103,1169 7.453,1170 4.112,1171 3.903,1172 3.932,1173 3.817,1174 3.816,1175 6.468,1176 3.813,1177 3.576,1178 3.611,1179 3.484,1180 3.445,1181 5.072,1182 3.445,1183 3.414,1184 3.489,1185 3.245,1186 3.278,1187 4.649,1188 3.256,1189 3.322,1190 3.36,1191 3.198,1192 3.068,1193 4.389,1194 3.096,1195 3.221,1196 3.25,1197 3.088,1198 3.036,1199 3.999,1200 3.044,1201 3.153,1202 3.248,1203 2.917,1204 2.972,1205 3.968,1206 2.946,1207 3.004,1208 3.057,1209 2.804,1210 2.765,1211 3.76,1212 2.756,1213 0.176,1214 0.14,1215 0.289,1216 0.17,1217 0.135,1218 4.925,1219 0.17,1220 3.915,1221 0.031,1222 8.093,1223 0.558,1224 4.773,1225 0.135,1226 3.774,1227 4.771,1228 0.86,1229 15.615,1230 3.773,1231 2.037,1232 2.01,1233 2.182,1234 2.123,1235 1.609,1236 2.145,1237 1.888,1238 1.879,1239 1.953,1240 2.005,1241 1.18,1242 1.983,1243 1.603,1244 1.562,1245 1.824,1246 1.767,1247 1.107,1248 1.787,1249 1.443,1250 1.373,1251 1.742,1252 1.631,1253 0.99,1254 1.672,1255 1.235,1256 1.192,1257 1.576,1258 1.543,1259 0.763,1260 1.547,1261 1.193,1262 1.12,1263 1.559,1264 1.428,1265 0.576,1266 1.476,1267 1.128,1268 1.066,1269 1.417,1270 1.347,1271 0.469,1272 1.346,1273 0.934,1274 0.869,1275 1.336,1276 1.239,1277 0.469,1278 1.308,1279 4.043,1281 5.468,1282 2.398,1283 7.112,1284 4.844,1285 8.862,1286 7.096,1287 10.668,1289 8.624,1294 10.311,1295 5.567,1297 5.315,1299 0.585,1301 0.325,1305 30.708,1306 66.844,1307 168.497,1308 228.009,1309 252.274,1310 252.274,1311 252.274,1312 52.057,1313 7.921,1314 59.67,1315 59.67,1316 23,1317 13.143,1318 3.585,1319 2.807,1320 35.529,1321 71,1322 68,1323 0.261,1324 183.984,1325 322.58,1326 440.681,1327 26505,1329 17.983,1330 0.719,1331 0.618,1332 17.983,1333 15.44,1334 11.831,1335 0.423,1336 0.327,1337 9.041,1338 11.418,1339 8.649,1340 7.172,1341 11.831,1342 9.142,1343 11.662,1344 0.259,1345 0.191,1346 11.662,1347 8.587,1348 10.497,1349 0.157,1350 0.102,1351 10.497,1352 6.825,1353 9.608,1354 0.098,1355 0.059,1356 9.608,1357 5.744,1358 7.36,1359 0.057,1360 0.03,1361 7.36,1362 3.922,1363 0.383,1364 74.2,1365 0.237,1366 22.945,1367 0.814,1368 146,1369 371.356,1370 156.629,1371 350.482,1372 483.04,1373 328,1374 185,1375 359.576,1376 196.738,1377 366.257,1378 547.11,1379 342,1380 6}
{0 CHEMBL1630548,1 1.433,2 7.24,3 3.693,4 13.637,5 94.172,6 6.869,7 0.357,8 4.012,9 4.123,10 3.497,11 3.547,12 5.084,13 3.516,14 4.603,15 4.766,16 3.989,17 4.054,18 5.605,19 4.003,20 4.987,21 5.156,22 4.188,23 4.339,24 6.015,25 4.259,26 5.273,27 5.502,28 4.244,29 4.455,30 6.299,31 4.336,32 5.285,33 5.533,34 4.02,35 4.365,36 6.274,37 4.207,38 5.141,39 5.444,40 3.772,41 4.118,42 5.932,43 3.95,44 4.754,45 4.948,46 3.614,47 3.775,48 5.913,49 3.697,50 4.652,51 4.898,52 3.21,53 3.506,54 5.822,55 3.389,56 0.058,57 0.68,58 11.62,59 5.264,60 14.114,61 6.742,62 0.105,63 1.177,64 21.553,65 9.71,66 29.486,67 12.826,68 0.253,69 1.657,70 32.385,71 13.773,72 54.576,73 18.278,74 0.703,75 2.044,76 45.203,77 17.292,78 104.696,79 24.095,80 0.672,81 1.995,82 46.536,83 16.828,84 103.515,85 23.81,86 0.415,87 1.641,88 41.155,89 14.14,90 72.342,91 20.729,92 0.444,93 1.122,94 27.934,95 8.576,96 75.915,97 11.425,98 0.534,99 0.957,100 26.169,101 6.977,102 101.213,103 9.817,104 51,105 46,106 0.244,107 0.595,108 0.747,109 0.836,110 0.843,111 0.843,112 3.27,113 0.961,114 -4.17,115 -4.11,116 -3.89,119 40,120 3,121 5,122 1,123 2,142 1,143 3,144 2,152 2,158 1,163 1,164 1,165 1,172 14,175 5,177 1,178 1,180 3,183 23,185 1,187 3,191 1,192 3,195 26,198 1,199 4,201 1,202 3,203 1,204 3,206 1,207 23,209 1,212 4,215 2,216 1,217 4,219 1,220 11,222 2,224 5,229 8,232 5,234 2,237 4,242 11,245 3,247 4,250 2,255 7,260 2,263 3,268 6,273 3,275 733,276 15.988,277 15.988,278 15.988,279 15.988,280 15.988,281 14.626,282 13.877,283 8.602,284 16.027,285 13.737,286 13.737,287 13.737,288 13.737,289 13.737,290 11.547,291 11.132,292 3.966,293 13.837,294 4.211,295 2.144,296 1.251,297 0.725,298 0.685,299 0.685,300 3.953,303 1,304 1,305 1,306 388,307 3.606,310 27.011,311 121.412,314 109.958,315 68.007,318 1.149,319 36.046,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 54.5,331 181,332 4.93,333 3.917,334 8.093,335 4.774,336 3.774,337 4.783,338 0.98,339 15.616,340 3.774,341 4.592,342 3.603,343 7.179,344 4.303,345 3.308,346 3.936,348 12.218,349 3.29,350 4.196,351 3.233,352 6.87,353 4.017,354 3.024,355 3.461,357 11.145,358 3.003,359 3.764,360 2.992,361 6.196,362 3.515,363 2.525,364 3.078,366 8.781,367 2.502,368 3.655,369 2.679,370 5.606,371 3.273,372 2.291,373 2.859,375 6.946,376 2.232,377 3.302,378 2.226,379 5.366,380 2.983,381 1.99,382 2.54,384 6.358,385 1.971,386 2.982,387 2.01,388 4.984,389 2.55,390 1.542,391 2.084,393 4.668,394 1.55,395 2.578,396 1.553,397 4.572,398 2.495,399 1.49,400 1.58,402 3.972,403 1.49,404 2.365,405 1.344,406 4.111,407 2.159,408 1.171,409 1.327,411 2.924,412 1.154,413 2.058,414 1.023,415 3.646,416 1.819,417 0.853,418 1.006,420 2.201,421 0.817,422 1.318,423 0.6,424 3.261,425 1.088,426 0.094,427 0.103,428 0.263,429 0.093,430 1.16,431 0.195,432 3.154,433 0.929,434 -0.009,435 -0.01,436 -0.024,437 -0.008,438 1.013,439 0.061,440 3.033,441 0.744,442 -0.251,443 -0.268,445 -0.673,446 -0.249,447 0.741,448 -0.16,449 2.942,450 0.666,451 -0.315,452 -0.374,454 -0.87,455 -0.307,456 0.437,457 -0.26,458 2.604,459 0.071,460 -0.914,461 -1,463 -2,464 -0.89,465 11.733,466 0.469,467 1.093,468 0.044,469 26,470 1.04,471 10.5,472 0.42,473 15.5,474 0.62,475 30.709,476 1.228,477 28.467,478 0.569,479 18.54,480 0.742,481 4.108,482 0.164,483 7.557,484 0.302,485 0.247,486 0.085,487 0.384,493 0.879,494 1.049,495 0.89,496 1.028,497 0.856,498 0.965,499 0.527,500 0.975,501 0.664,502 0.978,503 0.4,504 0.867,505 0.73,506 1.204,507 0.969,508 1.221,509 0.625,510 1.154,511 0.551,512 1.044,513 0.876,514 1.073,515 0.45,516 1.043,517 0.739,518 1.126,519 1.043,520 1.151,521 0.575,522 1.155,523 0.663,524 0.829,525 0.726,526 0.831,527 0.632,528 0.796,529 1.869,530 1.253,531 1.408,532 1.193,533 1.792,534 1.216,535 1.943,536 0.927,537 1.411,538 0.91,539 2.387,540 1.031,541 7.5,543 4.889,544 4.007,545 2.712,546 1.588,547 0.864,548 0.501,549 0.3,550 0.047,551 5564,552 13258,553 2.015,554 50,555 18,556 1,559 4,560 2,564 1.69,565 1.786,566 2.872,567 1.697,569 1,573 71.658,574 1.433,575 3.5,576 4.393,577 4.919,578 4.959,579 4.959,580 2.284,581 4.324,582 4.62,583 3.011,584 903.436,585 8.039,586 10081.4,588 1,590 1,591 282.193,592 1.851,593 4.507,594 0.268,596 0.106,597 0.076,598 0.051,599 0.041,600 0.027,601 0.02,602 0.02,603 0.005,604 0.614,605 0.33,606 1,607 0.886,608 114.787,609 -0.1,610 0.18,611 0.016,612 0.143,613 -0.107,614 0.111,615 0.097,616 0.156,617 0.234,618 0.162,619 0.156,620 0.213,621 0.038,622 -0.113,623 -0.051,624 -0.114,625 0.067,626 -0.101,627 0.223,628 -0.046,629 0.066,630 -0.049,631 0.204,632 -0.027,633 0.09,634 -0.164,635 -0.088,636 -0.163,637 0.107,638 -0.161,639 0.057,640 0.061,641 0.235,642 0.106,643 0.026,644 0.189,645 -0.304,646 -0.271,647 -0.347,648 -0.252,649 -0.275,650 -0.301,651 -0.355,652 0.008,653 -0.323,654 -0.057,655 -0.407,656 -0.161,657 2.463,658 4.858,659 0.68,660 15.638,661 1,662 1.126,663 2.94,664 8.644,665 0.639,666 3.367,667 3.85,668 4.22,669 4.605,670 4.875,671 5.118,672 5.328,673 5.525,674 5.617,675 5.68,676 4.683,677 0.604,678 343.46,679 3.367,680 5.004,681 5.927,682 6.901,683 7.844,684 8.822,685 9.774,686 10.753,687 11.708,688 12.688,689 2,696 1,703 2,704 1,707 1,709 5,711 10,717 1,728 2,731 50,733 11,734 1,735 28,737 53,738 20,739 8,740 5,741 1,742 1,746 4,747 10,752 3,753 2,754 2,755 5,756 1,758 5,761 9,762 11,763 1,766 1,771 1,775 1,777 1,778 1,780 1,781 25,782 5,783 4,784 5,790 1,794 0.25,795 4,811 1,812 3,815 2,816 1,840 1,844 3,848 25,849 1,853 2,854 5,858 1,860 2,870 8,872 2,873 1,875 1,877 14,878 9.733,879 5.111,880 3.183,881 2.243,882 1.283,883 0.918,884 3.549,885 10.163,886 3.555,887 4.252,888 4.897,889 5.583,890 6.155,891 6.64,892 7.11,893 7.487,894 7.664,895 7.884,896 0.8,897 53,898 9.384,900 4.344,901 7.867,902 17.992,904 16.376,905 2.367,906 59.167,908 1,909 1,910 247.193,911 72.558,912 32.897,914 120.019,917 72.558,918 367.212,919 32.897,920 26.476,921 45.57,922 9.476,923 115.216,924 18.451,925 10.285,926 247.193,928 247.193,929 105.456,930 120.019,933 247.193,934 120.019,937 72.045,938 33.41,941 247.193,942 152.916,943 72.558,946 247.193,947 36.606,948 35.952,950 152.916,951 247.193,952 152.916,953 72.558,955 0.625,956 0.384,957 0.215,958 0.114,959 27,960 13,961 0.019,962 1,963 3,964 1.353,965 3.298,966 240.902,967 0.353,968 17,969 114.096,974 16.923,975 5.243,976 2.199,977 1.016,978 152.916,979 1.522,982 6.029,984 0.991,986 118.264,987 472.668,988 34,993 11.858,997 -0.796,999 50.014,1000 56.318,1001 0.254,1002 0.62,1003 0.778,1004 0.871,1005 0.879,1006 0.879,1007 4.916,1008 1.49,1009 6.043,1010 4.668,1011 4.533,1012 4.938,1013 1.072,1014 7.074,1015 4.519,1016 6.21,1017 1.171,1018 7.757,1019 3.972,1020 4.635,1021 5.165,1023 8.615,1024 4.616,1025 7.614,1026 0.853,1027 9.584,1028 2.924,1029 6.418,1030 7.268,1031 1.045,1032 11.769,1033 6.4,1034 9.05,1035 0.094,1036 11.479,1037 2.201,1038 7.266,1039 8.245,1041 14.074,1042 7.244,1043 10.518,1044 -0.009,1045 13.416,1046 0.263,1047 8.672,1048 9.962,1049 1.019,1050 16.89,1051 8.651,1052 12.007,1053 -0.251,1054 15.382,1055 -0.024,1056 9.798,1057 11.257,1059 19.464,1060 9.777,1061 13.513,1062 -0.315,1063 17.37,1064 -0.673,1065 11.106,1066 12.853,1067 0.993,1068 22.204,1069 11.086,1070 3.774,1071 -0.914,1072 19.375,1073 -0.87,1074 12.336,1075 14.291,1077 24.876,1078 12.317,1079 3.308,1080 15.616,1081 21.392,1082 -2,1083 13.627,1084 15.851,1085 0.967,1086 27.606,1087 13.608,1088 3.024,1089 12.218,1090 23.421,1091 4.783,1092 14.899,1093 17.353,1095 30.318,1096 14.881,1097 2.525,1098 11.145,1099 25.458,1100 3.936,1101 16.192,1102 18.905,1103 0.942,1104 33.05,1105 16.175,1106 2.291,1107 8.781,1108 27.502,1109 3.461,1110 17.483,1111 20.437,1113 35.78,1114 17.467,1115 1.99,1116 6.946,1117 29.553,1118 3.078,1119 18.784,1120 21.99,1121 0.917,1122 38.517,1123 18.768,1124 1.542,1125 6.358,1126 31.609,1127 2.859,1128 20.086,1129 23.536,1131 41.255,1132 20.071,1133 5490,1134 8682,1135 17.512,1136 31.961,1137 44.765,1138 45.741,1139 47.532,1140 44.19,1141 44.124,1142 53.516,1143 1.96,1144 150.183,1145 43.752,1146 5.93,1147 5.917,1148 7.458,1149 5.774,1150 5.774,1151 7.783,1152 1.96,1153 24.725,1154 5.774,1155 15.885,1156 1.599,1157 1.634,1158 1.698,1159 1.578,1160 1.576,1161 1.911,1162 0.07,1163 5.364,1164 1.563,1165 4.186,1166 4.193,1167 4.156,1168 4.103,1169 7.437,1170 4.112,1171 3.904,1172 3.934,1173 3.819,1174 3.816,1175 6.528,1176 3.813,1177 3.577,1178 3.615,1179 3.49,1180 3.445,1181 6.401,1182 3.446,1183 3.415,1184 3.489,1185 3.277,1186 3.278,1187 5.059,1188 3.257,1189 3.341,1190 3.39,1191 3.216,1192 3.095,1193 4.869,1194 3.126,1195 3.202,1196 3.257,1197 3.074,1198 3,1199 4.389,1200 3.011,1201 3.138,1202 3.199,1203 2.907,1204 2.95,1205 4.025,1206 2.935,1207 2.874,1208 3.009,1209 2.665,1210 2.618,1211 3.992,1212 2.57,1213 0.176,1214 0.14,1215 0.289,1216 0.171,1217 0.135,1218 4.93,1219 0.171,1220 3.917,1221 0.035,1222 8.093,1223 0.558,1224 4.774,1225 0.135,1226 3.774,1227 4.783,1228 0.98,1229 15.616,1230 3.774,1231 2.037,1232 2.01,1233 2.182,1234 2.123,1235 1.609,1236 2.144,1237 1.886,1238 1.878,1239 1.946,1240 2.006,1241 1.176,1242 1.982,1243 1.604,1244 1.562,1245 1.823,1246 1.767,1247 1.103,1248 1.788,1249 1.443,1250 1.373,1251 1.741,1252 1.63,1253 0.987,1254 1.672,1255 1.226,1256 1.185,1257 1.564,1258 1.535,1259 0.762,1260 1.5,1261 1.194,1262 1.113,1263 1.417,1264 1.43,1265 0.469,1266 1.476,1267 0.959,1268 0.917,1269 1.402,1270 1.255,1271 0.465,1272 1.308,1273 0.934,1274 0.894,1275 1.206,1276 1.239,1277 0.387,1278 1.225,1279 4.043,1281 5.485,1282 2.398,1283 7.132,1284 4.844,1285 8.882,1286 7.096,1287 10.688,1289 6.945,1293 5.445,1294 20.246,1295 5.236,1299 0.509,1301 0.165,1305 30.202,1306 71.658,1307 174.999,1308 219.663,1309 245.928,1310 247.928,1311 247.928,1312 59.983,1313 7.919,1314 96.69,1315 96.69,1316 23,1317 13.163,1318 3.585,1319 2.807,1320 35.535,1321 71,1322 59,1323 0.263,1324 181.186,1325 316.28,1326 433.854,1327 26442,1329 18.146,1330 0.726,1331 0.599,1332 18.146,1333 14.979,1334 11.665,1335 0.417,1336 0.32,1337 8.89,1338 11.311,1339 8.552,1340 7.058,1341 11.665,1342 8.972,1343 12.221,1344 0.266,1345 0.187,1346 12.221,1347 8.611,1348 10.37,1349 0.155,1350 0.1,1351 10.37,1352 6.713,1353 9.557,1354 0.097,1355 0.058,1356 9.557,1357 5.694,1358 7.429,1359 0.057,1360 0.03,1361 7.429,1362 3.883,1363 0.385,1364 72.829,1365 0.239,1366 22.901,1367 0.822,1368 148,1369 373.083,1370 159.656,1371 359.546,1372 492.29,1373 332,1374 187,1375 371.815,1376 198.906,1377 376.892,1378 564.4,1379 354,1380 6.155}
{0 CHEMBL1631888,1 1.361,2 8.611,3 3.265,4 10.657,5 74.101,6 8.044,7 0.8,8 3.485,9 3.608,10 3.128,11 3.137,12 4.709,13 3.116,14 3.895,15 4.03,16 3.435,17 3.485,18 5.062,19 3.445,20 4.069,21 4.258,22 3.362,23 3.507,24 5.208,25 3.429,26 3.977,27 4.21,28 3.068,29 3.285,30 5.038,31 3.182,32 3.667,33 3.905,34 2.84,35 3.019,36 4.683,37 2.927,38 3.468,39 3.637,40 2.893,41 2.968,42 4.611,43 2.917,44 3.581,45 3.771,46 2.853,47 3.018,48 4.636,49 2.94,50 3.565,51 3.783,52 2.669,53 2.92,54 4.572,55 2.804,56 0.059,57 0.422,58 4.903,59 2.154,60 7.865,61 2.677,62 0.025,63 0.615,64 7.692,65 3.597,66 7.277,67 4.626,68 0.055,69 0.73,70 10.673,71 4.582,72 16.842,73 6.07,74 0.087,75 0.671,76 10.928,77 4.237,78 19.505,79 5.684,80 0.059,81 0.479,82 8.221,83 3.27,84 13.189,85 4.475,86 0.031,87 0.402,88 5.499,89 2.332,90 8.967,91 3.028,92 0.049,93 0.45,94 6.497,95 2.658,96 8.52,97 3.458,98 0.063,99 0.436,100 6.882,101 2.915,102 9.017,103 3.953,104 2,105 27,106 0.254,107 0.554,108 0.701,109 0.83,110 0.842,111 0.842,112 2.96,113 0.845,114 -4.09,115 -4.03,116 -3.82,119 51.7,141 2,142 8,143 2,144 1,146 1,152 1,163 1,164 1,165 1,168 1,172 10,175 2,180 4,183 12,185 2,187 3,192 5,195 10,197 2,199 2,204 4,207 6,209 1,212 1,217 3,220 6,222 1,224 2,229 3,232 7,234 1,237 2,245 7,254 1,255 1,257 1,258 6,260 1,265 1,266 1,268 1,271 2,273 1,275 338,276 12.43,277 12.43,278 12.43,279 12.43,280 12.43,281 10.314,282 7.552,283 7.457,284 12.521,285 9.881,286 9.881,287 9.881,288 9.881,289 9.881,290 6.756,291 4.239,292 3.558,293 10.028,294 3.497,295 1.888,296 1.103,297 0.414,298 0.345,299 0.345,300 3.644,304 1,305 1,306 340,307 2.121,310 35.996,311 99.347,314 67.796,318 1.21,319 8.924,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 37.5,331 155,332 4.562,333 3.244,334 6.526,335 4.044,336 3.063,337 4.502,339 10.265,340 3.004,341 4.135,342 2.906,343 5.421,344 3.608,345 2.615,346 3.707,348 7.173,349 2.597,350 3.758,351 2.394,352 5.121,353 3.126,354 2.146,355 3.064,357 6.016,358 2.102,359 3.348,360 2.232,361 4.878,362 2.928,363 1.95,364 2.67,366 5.622,367 1.904,368 3.046,369 1.546,370 4.184,371 2.528,372 1.546,373 2.318,375 3.761,376 1.516,377 2.981,378 1.285,379 3.593,380 2.199,381 1.205,382 1.843,384 2.815,385 1.197,386 2.577,387 1,388 3.414,389 2,390 1,391 1.5,393 2.275,394 1,395 2.5,396 0.902,397 3.274,398 1.804,399 0.817,400 1.365,402 1.878,403 0.805,404 2.022,405 0.62,406 2.986,407 1.431,408 0.445,409 0.685,411 1.036,412 0.438,413 1.199,414 0.063,415 2.307,416 0.796,417 -0.176,418 -0.232,420 -0.387,421 -0.171,422 0.728,423 -0.432,424 2,425 0.257,426 -0.728,427 -0.951,428 -1.748,429 -0.714,430 0.638,431 -0.835,432 2,433 0.143,434 -0.849,435 -1.26,436 -2.086,437 -0.842,438 0.5,439 -0.948,440 2,442 -1,443 -1.5,445 -2.833,446 -1,447 0.155,448 -1,449 1.66,450 -0.163,451 -1.132,452 -1.561,454 -3,455 -1.095,456 0.004,457 -1.222,458 1.347,459 -0.438,460 -1.402,461 -1.959,463 -3.672,464 -1.354,465 8.7,466 0.483,467 0.346,468 0.019,469 27.25,470 1.514,471 16.5,472 0.917,473 10.75,474 0.597,475 9.244,476 0.514,477 17.1,478 0.59,479 16.259,480 0.903,481 5.597,482 0.311,483 3.229,484 0.179,485 0.046,487 0.287,493 0.985,494 0.728,495 0.757,496 0.671,497 1.158,498 0.686,499 0.816,500 1.14,501 0.822,502 1.001,503 0.691,504 0.93,505 0.929,506 1.142,507 1.003,508 1.103,509 0.957,510 1.069,511 1.199,512 1.029,513 1.102,514 1.032,515 1.208,516 1.051,517 0.918,518 0.859,519 0.848,520 0.833,521 0.74,522 0.833,523 1.053,524 1.121,525 0.922,526 0.993,527 0.772,528 0.953,529 1.215,530 1.054,531 1.131,532 1.062,533 0.97,534 1.082,535 0.733,536 0.998,537 1.138,538 1.184,539 0.86,540 1.2,541 3,542 0.025,543 2,544 0.792,545 0.524,546 0.292,547 0.212,548 0.125,549 0.095,550 0.087,551 3125,552 8097,553 2.154,554 37.9,556 8,559 3,564 1.58,565 2.077,566 3.099,567 1.088,569 1,571 1,573 39.469,574 1.361,575 2.97,576 3.755,577 4.444,578 4.513,579 4.513,580 2.483,581 3.684,582 4.145,583 3.192,584 488.364,585 7.002,586 4649.19,587 1,588 1,590 1,591 140.881,592 1.135,593 4.128,594 0.15,595 0.008,596 0.074,597 0.033,598 0.031,599 0.021,600 0.014,601 0.009,602 0.009,603 0.012,604 0.361,605 1,606 1,607 0.463,608 77.11,609 0.018,610 0.319,611 0.01,612 0.18,613 -0.239,614 0.111,615 -0.019,616 -0.173,617 -0.023,618 -0.108,619 0.018,620 -0.075,621 -0.053,622 -0.19,623 -0.092,624 -0.158,625 -0.002,626 -0.135,627 -0.148,628 -0.056,629 -0.095,630 -0.057,631 -0.187,632 -0.068,633 -0.007,634 0.08,635 0.175,636 0.177,637 0.115,638 0.192,639 -0.087,640 -0.132,641 -0.047,642 -0.082,643 0.008,644 -0.064,645 -0.218,646 -0.066,647 -0.22,648 -0.135,649 -0.199,650 -0.169,651 0.131,652 -0.065,653 -0.168,654 -0.202,655 0.004,656 -0.214,657 0.924,658 1.627,659 0.833,660 11.284,661 0.994,662 1.109,663 2.857,664 8.16,665 0.726,666 3.045,667 3.332,668 3.584,669 3.807,670 3.97,671 3.892,672 3.932,673 4.043,674 3.97,675 4.007,676 5.038,677 0.696,678 233.29,679 3.045,680 4.554,681 5.389,682 6.244,683 7.096,684 7.955,685 8.814,686 9.676,687 10.538,688 11.402,689 10.3,693 1,697 1,699 1,703 2,704 8,705 1,706 1,709 3,711 16,722 1,731 29,733 17,734 2,735 20,737 31,738 15,739 13,740 4,741 8,746 3,747 4,760 2,761 13,778 1,781 11,782 2,783 3,784 3,790 3,794 0.667,803 1,811 1,812 2,815 1,819 2,840 2,848 18,849 1,861 1,868 2,877 8.667,878 5.2,879 3.972,880 1.614,881 4.092,882 1.633,883 1.059,884 2.66,885 10.556,886 3.434,887 4.073,888 4.748,889 5.377,890 5.92,891 6.256,892 6.691,893 7.175,894 7.459,895 7.904,896 0.833,897 24,898 6.561,900 2.735,901 7.657,902 12.505,904 10.056,905 2.157,906 38.833,907 0.001,910 94.169,911 123.287,912 66.223,917 123.287,918 94.169,919 66.223,922 108.707,923 16.663,924 27.322,925 36.818,926 94.169,928 94.169,929 189.511,933 94.169,937 18.807,938 119.979,939 50.724,941 94.169,942 66.223,943 123.287,946 94.169,947 13.416,948 75.81,949 50.724,950 49.56,951 94.169,952 66.223,953 123.287,955 0.574,956 0.331,957 0.175,958 0.095,959 14,960 5,963 1,964 1.133,965 3.201,966 126.191,967 0.133,968 15,969 69.059,974 10.733,975 4.461,976 2.192,977 1.972,978 49.56,979 15.393,980 4.198,981 2.947,984 2.512,986 49.56,987 283.679,988 30,999 28.84,1000 32.156,1001 0.28,1002 0.611,1003 0.773,1004 0.915,1005 0.929,1006 0.929,1007 4.635,1008 0.817,1009 5.342,1010 2.275,1011 4.007,1012 4.758,1014 6.098,1015 3.978,1016 5.872,1017 0.445,1018 6.862,1019 1.878,1020 3.434,1021 4.407,1023 6.899,1024 3.374,1025 7.185,1026 -0.176,1027 8.482,1028 1.036,1029 5.541,1030 7.051,1032 9.976,1033 5.482,1034 8.537,1035 -0.728,1036 10.164,1037 -0.387,1038 5.832,1039 7.618,1041 11.684,1042 5.739,1043 9.92,1044 -0.849,1045 11.888,1046 -1.748,1047 7.365,1048 9.632,1050 14.258,1051 7.273,1052 11.328,1053 -1,1054 13.644,1055 -2.086,1056 8.073,1057 10.661,1059 16.339,1060 7.949,1061 12.754,1062 -1.132,1063 15.423,1064 -2.833,1065 9.359,1066 12.39,1068 18.751,1069 9.23,1070 3.063,1071 -1.402,1072 17.221,1073 -3,1074 10.275,1075 13.658,1077 20.982,1078 10.117,1079 2.615,1080 10.265,1081 19.033,1082 -3.672,1083 11.454,1084 15.255,1086 23.339,1087 11.285,1088 2.146,1089 7.173,1090 20.858,1091 4.502,1092 12.471,1093 16.643,1095 25.629,1096 12.276,1097 1.95,1098 6.016,1099 22.692,1100 3.707,1101 13.606,1102 18.182,1104 27.968,1105 13.397,1106 1.546,1107 5.622,1108 24.533,1109 3.064,1110 14.672,1111 19.628,1113 30.281,1114 14.438,1115 1.205,1116 3.761,1117 26.381,1118 2.67,1119 15.79,1120 21.144,1122 32.613,1123 15.54,1124 1,1125 2.815,1126 28.235,1127 2.318,1128 16.88,1129 22.618,1131 34.935,1132 16.607,1133 2994,1134 4909,1135 13.811,1136 21.063,1137 30.857,1138 29.83,1139 30.196,1140 29.606,1141 29.574,1142 43.312,1144 81.685,1145 29.128,1146 5.069,1147 5.244,1148 6.208,1149 5.044,1150 5.063,1151 7.502,1153 16.922,1154 5.004,1155 5.298,1156 1.543,1157 1.491,1158 1.51,1159 1.48,1160 1.479,1161 2.166,1163 4.084,1164 1.456,1165 4.102,1166 4.14,1167 4.071,1168 4.01,1169 5.154,1170 4.019,1171 3.9,1172 3.931,1173 3.843,1174 3.84,1175 5.088,1176 3.837,1177 3.442,1178 3.496,1179 3.37,1180 3.334,1181 4.705,1182 3.338,1183 3.166,1184 3.237,1185 3.095,1186 2.996,1187 4.4,1188 3.013,1189 2.912,1190 2.984,1191 2.792,1192 2.78,1193 4.215,1194 2.773,1195 2.854,1196 2.925,1197 2.687,1198 2.735,1199 3.688,1200 2.715,1201 2.719,1202 2.807,1203 2.568,1204 2.516,1205 3.674,1206 2.52,1207 2.425,1208 2.525,1209 2.267,1210 2.136,1211 3.227,1212 2.16,1213 0.228,1214 0.162,1215 0.326,1216 0.202,1217 0.153,1218 4.562,1219 0.225,1220 3.244,1222 6.526,1223 0.513,1224 4.044,1225 0.15,1226 3.063,1227 4.502,1229 10.265,1230 3.004,1231 1.946,1232 1.926,1233 2.032,1234 2.009,1235 1.129,1236 2.018,1237 1.886,1238 1.86,1239 1.991,1240 1.968,1241 1.055,1242 1.977,1243 1.47,1244 1.425,1245 1.555,1246 1.712,1247 0.501,1248 1.666,1249 1.089,1250 1.022,1251 1.276,1252 1.346,1253 0.218,1254 1.336,1255 0.937,1256 0.885,1257 1.181,1258 1.133,1259 0.202,1260 1.14,1261 0.886,1262 0.821,1263 1.134,1264 1.062,1265 0.149,1266 1.107,1267 0.748,1268 0.668,1269 1.039,1270 0.965,1271 0.011,1272 1.003,1273 0.59,1274 0.486,1275 0.891,1276 0.854,1278 0.875,1279 3.714,1281 5.004,1282 2.398,1283 6.491,1284 4.727,1285 8.062,1286 6.823,1287 9.677,1293 5.627,1304 6.184,1305 20.171,1306 39.469,1307 86.127,1308 108.881,1309 128.881,1310 130.881,1311 130.881,1312 17.426,1313 6.465,1314 54.7,1315 54.7,1316 17,1317 11.95,1318 4.17,1319 3.459,1320 25.93,1321 55,1322 52,1323 0.236,1324 126.512,1325 207.52,1326 300.449,1327 5042,1329 12.372,1330 0.687,1331 0.536,1332 12.372,1333 9.643,1334 8.826,1335 0.441,1336 0.282,1337 5.594,1338 8.658,1339 5.465,1340 4.573,1341 8.826,1342 5.635,1343 7.749,1344 0.287,1345 0.148,1346 7.749,1347 3.988,1348 6.563,1349 0.188,1350 0.077,1351 6.563,1352 2.704,1353 5.284,1354 0.12,1355 0.04,1356 5.284,1357 1.755,1358 4.267,1359 0.082,1360 0.022,1361 4.267,1362 1.129,1363 0.37,1364 54.156,1365 0.269,1366 18.287,1367 0.644,1368 94,1369 241.29,1370 98.468,1371 249.831,1372 352.45,1373 234,1374 109,1375 271.296,1376 113.913,1377 281.178,1378 404.11,1379 265,1380 5.979}
{0 CHEMBL1631889,1 1.28,2 7.882,3 4.011,4 16.089,5 69.401,6 8.084,7 0.842,8 3.409,9 3.517,10 3.07,11 3.105,12 4.602,13 3.076,14 3.827,15 3.956,16 3.357,17 3.441,18 4.967,19 3.393,20 3.986,21 4.182,22 3.264,23 3.438,24 5.063,25 3.352,26 3.815,27 4.032,28 2.989,29 3.186,30 4.882,31 3.091,32 3.511,33 3.722,34 2.762,35 2.938,36 4.544,37 2.855,38 3.4,39 3.569,40 2.821,41 2.915,42 4.485,43 2.86,44 3.521,45 3.712,46 2.778,47 2.968,48 4.549,49 2.885,50 3.496,51 3.722,52 2.478,53 2.856,54 4.425,55 2.716,56 0.046,57 0.348,58 4.299,59 2.013,60 5.1,61 2.572,62 0.029,63 0.523,64 6.947,65 3.25,66 6.353,67 4.176,68 0.047,69 0.631,70 10.018,71 4.436,72 13.296,73 5.962,74 0.065,75 0.561,76 8.884,77 3.606,78 14.449,79 4.743,80 0.048,81 0.405,82 6.469,83 2.653,84 9.708,85 3.503,86 0.034,87 0.357,88 5.107,89 2.155,90 6.614,91 2.769,92 0.05,93 0.412,94 6.104,95 2.489,96 7.5,97 3.187,98 0.044,99 0.39,100 6.549,101 2.795,102 8.217,103 3.754,105 25,106 0.242,107 0.486,108 0.604,109 0.776,110 0.844,111 0.844,112 2.908,113 0.858,114 -4.65,115 -4.57,116 -4.3,119 55.6,141 2,142 9,143 2,146 1,152 1,168 1,172 12,175 2,180 2,183 14,187 3,192 3,195 11,199 2,204 3,207 7,212 1,217 2,220 7,224 2,229 2,232 7,237 2,242 1,245 8,250 1,258 7,271 4,275 298,276 11.983,277 11.983,278 11.983,279 11.983,280 11.983,281 9.891,282 4.389,283 7.37,284 12.053,285 9.415,286 9.415,287 9.415,288 9.415,289 9.415,290 6.351,291 1.739,292 3.523,293 9.523,294 3.475,295 2.187,296 1.561,297 0.652,298 0.296,299 0.296,300 3.594,304 1,305 1,306 296,307 2,310 32.594,311 91.39,314 61.529,318 1.093,319 5.839,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 35,331 134,332 4.561,333 3.243,334 6.526,335 4.044,336 3.063,337 4.502,339 10.265,340 3.004,341 4.098,342 2.878,343 5.357,344 3.517,345 2.518,346 3.604,348 6.997,349 2.516,350 3.589,351 2.285,352 5.104,353 2.988,354 2.011,355 2.912,357 5.94,358 1.964,359 3.152,360 1.63,361 4.187,362 2.529,363 1.546,364 2.32,366 3.771,367 1.517,368 3.045,369 1.546,370 3.65,371 2.498,372 1.5,373 2.251,375 3.159,376 1.497,377 2.756,378 1.267,379 3.573,380 2.18,381 1.187,382 1.766,384 2.777,385 1.177,386 2.562,387 1,388 3.247,389 2,390 1,391 1.5,393 2.136,394 1,395 2.5,396 0.844,397 3.212,398 1.764,399 0.774,400 1.283,402 1.774,403 0.766,404 2.018,405 0.465,406 2.928,407 1.37,408 0.383,409 0.629,411 0.895,412 0.377,413 0.865,414 -0.091,415 2.2,416 0.5,417 -0.492,418 -0.629,420 -1.163,421 -0.488,422 0.701,423 -0.796,424 2,425 0.165,426 -0.827,427 -1.25,428 -1.926,429 -0.82,430 0.63,431 -0.855,432 2,433 0.094,434 -0.9,435 -1.408,436 -2.126,437 -0.894,438 0.5,439 -1,440 1.555,442 -1,443 -1.5,445 -2.347,446 -1,447 0.109,448 -1.135,449 1.373,450 -0.318,451 -1.293,452 -1.797,454 -3.559,455 -1.26,456 -0.213,457 -1.406,458 1.125,459 -0.645,460 -1.627,461 -2.404,463 -4.525,464 -1.598,465 8.3,466 0.488,467 0.239,468 0.014,469 26,470 1.529,471 16,472 0.941,473 10,474 0.588,475 8.367,476 0.492,477 15.7,478 0.581,479 14.746,480 0.867,481 5.375,482 0.316,483 3.058,484 0.18,487 0.241,493 0.702,494 0.747,495 0.708,496 0.729,497 0.761,498 0.721,499 0.93,500 1.138,501 0.898,502 1.015,503 0.917,504 0.966,505 0.824,506 1.101,507 0.93,508 1.044,509 0.846,510 1.005,511 1.34,512 1.083,513 1.079,514 1.02,515 1.279,516 1.026,517 1.242,518 0.921,519 0.968,520 0.879,521 1.254,522 0.897,523 1.276,524 1.094,525 0.942,526 0.942,527 1.024,528 0.92,529 1.502,530 1.03,531 1.17,532 1.019,533 1.124,534 1.057,535 1.079,536 0.975,537 1.262,538 1.156,539 1.107,540 1.21,541 2,543 1.556,544 0.729,545 0.333,546 0.236,547 0.172,548 0.069,549 0.037,550 0.023,551 2678,552 6610,553 2.2,554 37,556 9,559 1,564 1.564,565 2.17,566 2.998,567 -0.371,573 34.559,574 1.28,575 2.568,576 3.194,577 4.103,578 4.459,579 4.459,580 2.419,581 3.735,582 4.063,583 3.08,584 418.937,585 6.842,586 3811.22,588 1,590 1,591 128.382,592 0.787,593 4.063,594 0.105,596 0.062,597 0.033,598 0.021,599 0.018,600 0.012,601 0.005,602 0.004,603 0.006,604 0.267,605 0.83,606 1,608 70.817,609 0.238,610 0.216,611 0.042,612 0.086,613 -0.004,614 0.056,615 -0.04,616 -0.2,617 -0.103,618 -0.168,619 -0.11,620 -0.146,621 0.05,622 -0.165,623 0.017,624 -0.085,625 0.153,626 -0.047,627 -0.134,628 -0.065,629 -0.082,630 -0.061,631 -0.102,632 -0.066,633 -0.126,634 0.082,635 0.015,636 0.083,637 -0.167,638 0.065,639 -0.106,640 -0.086,641 -0.049,642 -0.055,643 -0.097,644 -0.048,645 -0.287,646 -0.006,647 -0.237,648 -0.105,649 -0.182,650 -0.155,651 -0.207,652 -0.033,653 -0.256,654 -0.152,655 -0.193,656 -0.197,657 0.801,658 1.203,659 0.882,660 10.208,661 0.99,662 1.098,663 3.424,664 11.726,665 0.743,666 2.996,667 3.258,668 3.526,669 3.761,670 3.892,671 3.807,672 3.892,673 3.97,674 3.85,675 3.85,676 4.727,677 0.709,678 218.27,679 2.996,680 4.489,681 5.323,682 6.172,683 7.022,684 7.879,685 8.736,686 9.597,687 10.459,688 11.323,689 7.4,697 1,699 1,703 2,704 9,705 1,706 1,709 2,711 16,731 27,733 17,734 2,735 19,737 29,738 15,739 13,740 3,741 9,746 3,747 4,760 2,761 13,778 1,781 10,782 1,783 1,784 2,790 2,794 0.667,803 1,811 1,812 2,815 1,819 2,840 2,848 17,861 1,868 2,877 7.833,878 4.95,879 3.806,880 1.586,881 4.069,882 1.642,883 1.054,884 2.458,885 10.411,886 3.401,887 4.021,888 4.708,889 5.346,890 5.873,891 6.186,892 6.666,893 7.127,894 7.377,895 7.798,896 1,897 22,898 6.208,900 2.574,901 7.569,902 11.937,904 9.573,905 2.069,906 35.167,907 0.002,910 105.94,911 130.007,912 33.326,917 130.007,918 105.94,919 33.326,922 85.286,923 16.663,924 24.566,925 36.818,926 105.94,928 105.94,929 163.333,933 105.94,937 18.807,938 93.802,939 50.724,941 105.94,942 33.326,943 130.007,946 105.94,947 10.659,948 85.286,949 50.724,950 16.663,951 105.94,952 33.326,953 130.007,955 0.563,956 0.329,957 0.183,958 0.093,959 13,960 4,963 1,964 1.133,965 3.135,966 116.508,967 0.133,968 15,969 62.732,974 9.834,975 4.249,976 1.967,977 2.015,978 16.663,979 17.883,980 4.203,981 2.96,984 1.871,986 16.663,987 269.273,988 29,999 26.738,1000 29.657,1001 0.269,1002 0.54,1003 0.672,1004 0.863,1005 0.938,1006 0.938,1007 4.585,1008 0.774,1009 5.252,1010 2.136,1011 3.932,1012 4.705,1014 5.999,1015 3.908,1016 5.808,1017 0.383,1018 6.758,1019 1.774,1020 3.219,1021 4.227,1023 6.783,1024 3.17,1025 7.11,1026 -0.492,1027 8.372,1028 0.895,1029 5.442,1030 6.987,1032 9.897,1033 5.391,1034 8.455,1035 -0.827,1036 10.055,1037 -1.163,1038 5.673,1039 7.504,1041 11.633,1042 5.59,1043 9.836,1044 -0.9,1045 11.787,1046 -1.926,1047 7.266,1048 9.571,1050 14.215,1051 7.182,1052 11.243,1053 -1,1054 13.553,1055 -2.126,1056 7.958,1057 10.586,1059 16.315,1060 7.84,1061 12.671,1062 -1.293,1063 15.344,1064 -2.347,1065 9.272,1066 12.339,1068 18.73,1069 9.149,1070 3.063,1071 -1.627,1072 17.153,1073 -3.559,1074 10.188,1075 13.605,1077 20.971,1078 10.034,1079 2.518,1080 10.265,1081 18.976,1082 -4.525,1083 11.382,1084 15.215,1086 23.33,1087 11.217,1088 2.011,1089 6.997,1090 20.81,1091 4.502,1092 12.403,1093 16.605,1095 25.623,1096 12.21,1097 1.546,1098 5.94,1099 22.652,1100 3.604,1101 13.548,1102 18.152,1104 27.963,1105 13.339,1106 1.5,1107 3.771,1108 24.501,1109 2.912,1110 14.619,1111 19.601,1113 30.278,1114 14.385,1115 1.187,1116 3.159,1117 26.355,1118 2.32,1119 15.744,1120 21.121,1122 32.611,1123 15.492,1124 1,1125 2.777,1126 28.213,1127 2.251,1128 16.838,1129 22.598,1131 34.934,1132 16.563,1133 2547,1134 4093,1135 13.405,1136 20.057,1137 29.089,1138 28.136,1139 28.2,1140 27.971,1141 27.964,1142 41.532,1144 75.428,1145 27.639,1146 5.061,1147 5.243,1148 6.328,1149 5.044,1150 5.063,1151 7.502,1153 16.922,1154 5.004,1156 1.531,1157 1.481,1158 1.484,1159 1.472,1160 1.472,1161 2.186,1163 3.97,1164 1.455,1165 4.101,1166 4.139,1167 4.07,1168 4.009,1169 5.131,1170 4.018,1171 3.885,1172 3.913,1173 3.82,1174 3.834,1175 4.827,1176 3.828,1177 3.434,1178 3.49,1179 3.359,1180 3.327,1181 4.48,1182 3.329,1183 3.105,1184 3.15,1185 3.044,1186 2.974,1187 4.326,1188 2.985,1189 2.875,1190 2.933,1191 2.753,1192 2.771,1193 3.708,1194 2.76,1195 2.854,1196 2.925,1197 2.687,1198 2.735,1199 3.674,1200 2.715,1201 2.522,1202 2.581,1203 2.396,1204 2.424,1205 3.405,1206 2.411,1207 2.413,1208 2.517,1209 2.256,1210 2.121,1211 3.227,1212 2.146,1213 0.24,1214 0.171,1215 0.343,1216 0.213,1217 0.161,1218 4.561,1219 0.237,1220 3.243,1222 6.526,1223 0.54,1224 4.044,1225 0.158,1226 3.063,1227 4.502,1229 10.265,1230 3.004,1231 1.945,1232 1.925,1233 2.036,1234 2.003,1235 1.129,1236 2.015,1237 1.883,1238 1.857,1239 1.996,1240 1.958,1241 1.055,1242 1.973,1243 1.466,1244 1.42,1245 1.553,1246 1.707,1247 0.503,1248 1.662,1249 1.057,1250 0.998,1251 1.216,1252 1.231,1253 0.218,1254 1.232,1255 0.905,1256 0.864,1257 1.181,1258 1.062,1259 0.212,1260 1.107,1261 0.886,1262 0.821,1263 1.081,1264 1.026,1265 0.178,1266 1.049,1267 0.73,1268 0.648,1269 1.034,1270 0.96,1271 0.014,1272 0.997,1273 0.439,1274 0.372,1275 0.702,1276 0.619,1278 0.653,1279 3.664,1281 4.934,1282 2.398,1283 6.412,1284 4.727,1285 7.978,1286 6.823,1287 9.587,1304 6.234,1305 19.15,1306 34.559,1307 69.323,1308 86.243,1309 110.772,1310 120.382,1311 120.382,1312 14.62,1313 6.342,1314 28.68,1315 28.68,1316 17,1317 11.871,1318 4.17,1319 3.459,1320 23.871,1321 48,1322 42,1323 0.247,1324 119.717,1325 196.52,1326 283.87,1327 4315,1329 11.502,1330 0.677,1331 0.538,1332 11.502,1333 9.143,1334 8.433,1335 0.444,1336 0.286,1337 5.405,1338 8.302,1339 5.281,1340 4.421,1341 8.433,1342 5.435,1343 7.127,1344 0.285,1345 0.149,1346 7.127,1347 3.732,1348 6.152,1349 0.186,1350 0.078,1351 6.152,1352 2.567,1353 5.142,1354 0.122,1355 0.041,1356 5.142,1357 1.71,1358 3.983,1359 0.083,1360 0.022,1361 3.983,1362 1.065,1363 0.383,1364 51.504,1365 0.273,1366 17.31,1367 0.682,1368 88,1369 223.978,1370 91.441,1371 231.23,1372 328.38,1373 218,1374 102,1375 252.451,1376 106.08,1377 261.267,1378 376.37,1379 247,1380 4}
{0 CHEMBL1631890,1 1.547,2 8.105,3 4.422,4 19.555,5 69.834,6 9.417,7 0.762,8 3.442,9 3.537,10 3.2,11 3.099,12 4.784,13 3.11,14 3.871,15 3.982,16 3.546,17 3.433,18 5.277,19 3.443,20 4.058,21 4.227,22 3.486,23 3.427,24 5.434,25 3.417,26 3.885,27 4.072,28 3.345,29 3.173,30 5.544,31 3.174,32 3.569,33 3.757,34 2.949,35 2.929,36 4.956,37 2.91,38 3.433,39 3.588,40 2.986,41 2.908,42 4.693,43 2.903,44 3.584,45 3.749,46 3.117,47 2.957,48 4.995,49 2.957,50 3.616,51 3.793,52 3.075,53 2.834,54 5.234,55 2.858,56 0.09,57 0.505,58 2.728,59 2.084,60 10.139,61 2.041,62 0.134,63 0.793,64 4.605,65 3.364,66 14.861,67 3.311,68 0.313,69 0.963,70 8.925,71 4.611,72 53.61,73 4.574,74 0.377,75 0.907,76 8.039,77 3.723,78 57.722,79 3.917,80 0.198,81 0.558,82 5.96,83 2.735,84 29.361,85 2.786,86 0.107,87 0.476,88 4.017,89 2.203,90 14.666,91 2.346,92 0.223,93 0.628,94 4.998,95 2.549,96 21.472,97 2.718,98 0.302,99 0.728,100 6.085,101 2.926,102 38.944,103 2.818,104 5,105 29,106 0.293,107 0.582,108 0.706,109 0.83,110 0.844,111 0.844,112 3.01,113 0.805,114 -5.44,115 -5.32,116 -4.97,119 55.6,141 2,142 7,143 2,144 2,146 1,152 1,168 1,172 8,175 2,180 2,183 11,187 3,192 3,195 7,199 2,204 3,207 5,212 1,217 2,220 7,224 2,232 5,242 1,245 6,250 1,258 3,271 2,275 385,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 10.737,282 7.645,283 7.666,284 13.074,285 10.398,286 10.398,287 10.398,288 10.398,289 10.398,290 7.178,291 5.244,292 3.67,293 10.741,294 3.208,295 1.678,296 1.024,297 0.37,298 0.296,299 0.296,300 3.691,304 1,305 1,306 334,307 2.236,310 38.053,311 105.952,314 71.799,318 1.175,319 23.973,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 42,331 154,332 4.563,333 3.265,334 6.526,335 4.045,336 3.063,337 4.503,339 10.266,340 3.005,341 4.227,342 3.153,343 5.665,344 3.733,345 2.765,346 3.869,348 7.924,349 2.67,350 3.816,351 2.638,352 5.137,353 3.089,354 2.119,355 3.078,357 6.068,358 2.045,359 3.301,360 2.592,361 4.847,362 2.87,363 1.899,364 2.598,366 5.507,367 1.832,368 3.232,369 2.249,370 4.618,371 2.787,372 1.879,373 2.481,375 4.963,376 1.678,377 3.046,378 1.546,379 4.183,380 2.528,381 1.546,382 2.318,384 3.759,385 1.516,386 2.911,387 1.28,388 3.593,389 2.19,390 1.198,391 1.81,393 2.809,394 1.188,395 2.571,396 0.865,397 3.277,398 1.773,399 0.785,400 1.31,402 1.824,403 0.774,404 2.019,405 0.513,406 3,407 1.373,408 0.387,409 0.634,411 0.928,412 0.381,413 1,414 0.235,415 2.453,416 0.557,417 -0.347,418 -0.445,420 -0.891,421 -0.303,422 0.958,423 0.159,424 2.382,425 0.549,426 -0.411,427 -0.53,428 -1.086,429 -0.375,430 0.727,431 -0.092,432 2,433 0.259,434 -0.657,435 -0.77,436 -1.578,437 -0.587,438 0.639,439 -0.81,440 2,441 0.146,442 -0.841,443 -1.255,445 -2.058,446 -0.83,447 0.3,448 -0.863,449 1.922,450 -0.076,451 -1,452 -1.482,454 -2.472,455 -0.947,456 0.077,457 -1.158,458 1.364,459 -0.405,460 -1.351,461 -1.888,463 -3.81,464 -1.293,465 8.871,466 0.467,467 0.452,468 0.024,469 27.5,470 1.447,471 16,472 0.842,473 11.5,474 0.605,475 10.471,476 0.551,477 18.729,478 0.694,479 17.815,480 0.938,481 5.782,482 0.304,483 3.438,484 0.181,485 0.064,487 0.338,491 2,493 0.511,494 0.689,495 0.564,496 0.73,497 0.519,498 0.694,499 0.663,500 0.973,501 0.714,502 1.013,503 0.591,504 0.936,505 1.1,506 1.043,507 1.107,508 1.036,509 1.142,510 1.059,511 0.735,512 0.946,513 0.876,514 1.017,515 0.591,516 1.005,517 1,518 0.863,519 1.092,520 0.872,521 0.885,522 0.951,523 0.612,524 0.857,525 0.774,526 0.934,527 0.556,528 0.921,529 0.67,530 0.852,531 0.861,532 1.016,533 0.783,534 1.03,535 1.377,536 1.244,537 1.165,538 1.174,539 1.519,540 1.13,541 4,542 0.025,543 1.778,544 1.479,545 0.716,546 0.236,547 0.254,548 0.175,549 0.198,550 0.06,551 3480,552 12248,553 2.113,554 29.6,556 7,559 1,564 1.599,565 2,566 3.03,567 -0.301,573 41.779,574 1.547,575 3.077,576 3.731,577 4.385,578 4.459,579 4.459,580 2.439,581 3.827,582 4.226,583 3.166,584 541.434,585 7.174,586 5402.15,588 1,590 1,591 128.382,592 1.324,593 4.189,594 0.19,595 0.008,596 0.061,597 0.057,598 0.034,599 0.016,600 0.016,601 0.01,602 0.013,603 0.007,604 0.414,605 0.83,606 0.88,607 0.565,608 82.793,609 0.009,610 0.09,611 0.011,612 0.083,613 -0.047,614 0.06,615 -0.038,616 -0.158,617 -0.045,618 -0.168,619 0.01,620 -0.133,621 -0.155,622 -0.085,623 -0.172,624 -0.076,625 -0.189,626 -0.108,627 0.194,628 -0.025,629 0.132,630 -0.064,631 0.316,632 -0.018,633 -0.154,634 0.02,635 -0.119,636 0.083,637 -0.06,638 0.041,639 -0.033,640 -0.114,641 0.034,642 -0.061,643 -0.034,644 -0.009,645 0.185,646 0.053,647 0.04,648 -0.106,649 0.034,650 -0.118,651 0.049,652 -0.002,653 -0.081,654 -0.15,655 -0.049,656 -0.182,657 2.307,658 5.019,659 0.789,660 11.54,661 1.028,662 1.124,663 4.21,664 17.722,665 0.738,666 3.091,667 3.401,668 3.638,669 3.912,670 4.007,671 3.989,672 4.007,673 4.111,674 4.078,675 4.143,676 5.072,677 0.738,678 254.25,679 3.091,680 4.615,681 5.451,682 6.323,683 7.171,684 8.046,685 8.899,686 9.775,687 10.632,688 11.508,689 7.4,697 1,699 1,703 2,704 7,705 1,706 1,709 4,711 16,730 2,731 27,733 17,734 2,735 21,737 29,738 15,739 13,740 5,741 7,746 3,747 4,760 2,761 13,778 1,779 2,781 8,782 3,783 1,784 4,790 2,794 0.667,803 1,811 1,812 2,815 1,819 2,840 2,846 2,848 19,861 1,868 2,869 2,877 9.5,878 5.069,879 4.139,880 1.546,881 4.127,882 1.627,883 1.054,884 2.833,885 10.703,886 3.466,887 4.123,888 4.786,889 5.438,890 5.964,891 6.3,892 6.752,893 7.22,894 7.535,895 8.001,896 1,897 26,898 6.995,900 3.047,901 8.158,902 12.779,904 10.312,905 2.658,906 50.5,910 82.398,911 129.296,912 33.326,915 29.92,917 129.296,918 82.398,919 63.246,922 66.334,923 16.663,924 42.808,925 66.738,926 82.398,928 82.398,929 162.622,930 29.92,933 112.318,937 18.807,938 93.091,939 50.724,941 112.318,942 33.326,943 129.296,946 82.398,947 28.901,948 66.334,949 50.724,950 46.583,951 82.398,952 63.246,953 129.296,955 0.579,956 0.329,957 0.187,958 0.09,959 15,960 6,963 1,964 1.133,965 3.235,966 137.509,967 0.133,968 15,969 74.711,974 11.589,975 4.644,976 2.376,977 1.684,978 46.583,979 10.696,980 4.09,981 2.802,984 -0.367,986 16.663,987 274.94,988 31,999 27.763,1000 30.337,1001 0.325,1002 0.647,1003 0.785,1004 0.922,1005 0.938,1006 0.938,1007 4.682,1008 0.785,1009 5.425,1010 2.809,1011 4.078,1012 4.808,1014 6.201,1015 4.015,1016 5.932,1017 0.387,1018 6.956,1019 1.824,1020 3.611,1021 4.559,1023 7.002,1024 3.472,1025 7.254,1026 -0.347,1027 8.583,1028 0.928,1029 5.631,1030 7.112,1032 10.092,1033 5.52,1034 8.612,1035 -0.411,1036 10.268,1037 -0.891,1038 5.969,1039 7.72,1041 11.763,1042 5.797,1043 9.999,1044 -0.657,1045 11.992,1046 -1.086,1047 7.465,1048 9.696,1050 14.355,1051 7.311,1052 11.408,1053 -0.841,1054 13.744,1055 -1.578,1056 8.2,1057 10.745,1059 16.405,1060 8.001,1061 12.836,1062 -1,1063 15.519,1064 -2.058,1065 9.468,1066 12.455,1068 18.821,1069 9.275,1070 3.063,1071 -1.351,1072 17.311,1073 -2.472,1074 10.399,1075 13.731,1077 21.032,1078 10.17,1079 2.765,1080 10.266,1081 19.118,1082 -3.81,1083 11.569,1084 15.318,1086 23.387,1087 11.336,1088 2.119,1089 7.924,1090 20.936,1091 4.503,1092 12.592,1093 16.707,1095 25.665,1096 12.331,1097 1.899,1098 6.068,1099 22.764,1100 3.869,1101 13.721,1102 18.24,1104 27.999,1105 13.449,1106 1.879,1107 5.507,1108 24.6,1109 3.078,1110 14.788,1111 19.684,1113 30.305,1114 14.492,1115 1.546,1116 4.963,1117 26.443,1118 2.598,1119 15.901,1120 21.194,1122 32.633,1123 15.591,1124 1.198,1125 3.759,1126 28.291,1127 2.481,1128 16.988,1129 22.665,1131 34.951,1132 16.657,1133 3359,1134 6415,1135 14.216,1136 19.932,1137 32.798,1138 31.638,1139 31.976,1140 31.46,1141 31.284,1142 45.202,1144 88.095,1145 30.18,1146 5.075,1147 5.265,1148 6.208,1149 5.045,1150 5.063,1151 7.503,1153 16.923,1154 5.005,1155 7.479,1156 1.562,1157 1.507,1158 1.523,1159 1.498,1160 1.49,1161 2.152,1163 4.195,1164 1.437,1165 4.102,1166 4.14,1167 4.073,1168 4.009,1169 8.211,1170 4.019,1171 3.907,1172 3.93,1173 3.876,1174 3.833,1175 8.191,1176 3.838,1177 3.438,1178 3.492,1179 3.371,1180 3.327,1181 5.127,1182 3.333,1183 3.118,1184 3.16,1185 3.075,1186 2.973,1187 4.722,1188 2.99,1189 2.937,1190 2.985,1191 2.913,1192 2.771,1193 4.399,1194 2.761,1195 2.879,1196 2.936,1197 2.764,1198 2.73,1199 4.204,1200 2.753,1201 2.529,1202 2.586,1203 2.424,1204 2.424,1205 3.692,1206 2.415,1207 2.414,1208 2.518,1209 2.257,1210 2.121,1211 3.33,1212 2.146,1213 0.217,1214 0.155,1215 0.311,1216 0.193,1217 0.146,1218 4.563,1219 0.214,1220 3.265,1222 6.526,1223 0.489,1224 4.045,1225 0.143,1226 3.063,1227 4.503,1229 10.266,1230 3.005,1231 1.941,1232 1.922,1233 2.022,1234 2.005,1235 1.128,1236 2.01,1237 1.871,1238 1.85,1239 1.951,1240 1.961,1241 1.024,1242 1.959,1243 1.461,1244 1.417,1245 1.542,1246 1.707,1247 0.498,1248 1.659,1249 1.05,1250 0.994,1251 1.195,1252 1.232,1253 0.2,1254 1.224,1255 0.899,1256 0.862,1257 1.065,1258 1.074,1259 0.142,1260 1.047,1261 0.832,1262 0.787,1263 1.035,1264 1.027,1265 0.072,1266 1.042,1267 0.729,1268 0.647,1269 1.031,1270 0.96,1271 0.012,1272 0.997,1273 0.437,1274 0.371,1275 0.702,1276 0.619,1278 0.652,1279 3.761,1281 5.069,1282 2.398,1283 6.564,1284 4.727,1285 8.148,1286 6.823,1287 9.776,1291 26.038,1304 5.557,1305 19.917,1306 41.779,1307 83.079,1308 100.73,1309 118.382,1310 120.382,1311 120.382,1312 31.241,1313 6.576,1314 28.68,1315 28.68,1316 17,1317 12.051,1318 4.17,1319 3.459,1320 27.938,1321 59,1322 43,1323 0.238,1324 122.114,1325 208.66,1326 289.718,1327 5779,1328 7.4,1329 13.242,1330 0.697,1331 0.513,1332 11.502,1333 9.745,1334 9.22,1335 0.439,1336 0.268,1337 5.553,1338 8.853,1339 5.467,1340 4.522,1341 8.433,1342 5.635,1343 8.407,1344 0.29,1345 0.139,1346 7.127,1347 4.024,1348 6.703,1349 0.181,1350 0.072,1351 6.152,1352 2.656,1353 6.015,1354 0.123,1355 0.037,1356 5.142,1357 1.815,1358 4.263,1359 0.079,1360 0.02,1361 3.983,1362 1.081,1363 0.371,1364 57.962,1365 0.265,1366 19.066,1367 0.656,1368 100,1369 412.2,1370 111.103,1371 355.61,1372 471.14,1373 330,1374 116,1375 339.118,1376 125.9,1377 334.701,1378 483.81,1379 315,1380 4}
{0 CHEMBL1631891,1 1.37,2 7.882,3 2.861,4 8.182,5 67.244,6 8.433,7 0.842,8 3.388,9 3.498,10 3.082,11 3.053,12 4.621,13 3.04,14 3.8,15 3.934,16 3.363,17 3.382,18 4.978,19 3.354,20 3.925,21 4.112,22 3.271,23 3.374,24 5.062,25 3.308,26 3.759,27 3.973,28 2.989,29 3.125,30 4.867,31 3.05,32 3.46,33 3.662,34 2.767,35 2.889,36 4.525,37 2.822,38 3.38,39 3.554,40 2.838,41 2.86,42 4.513,43 2.82,44 3.479,45 3.676,46 2.8,47 2.874,48 4.585,49 2.816,50 3.388,51 3.606,52 2.484,53 2.731,54 4.392,55 2.622,56 0.037,57 0.373,58 3.77,59 1.852,60 5.001,61 2.214,62 0.031,63 0.564,64 6.236,65 2.895,66 7.634,67 3.434,68 0.038,69 0.628,70 8.698,71 3.867,72 13.669,73 4.975,74 0.065,75 0.548,76 8.007,77 3.202,78 14.699,79 4.045,80 0.042,81 0.395,82 5.765,83 2.394,84 9.096,85 3.057,86 0.053,87 0.379,88 4.746,89 2.01,90 7.423,91 2.501,92 0.071,93 0.427,94 5.599,95 2.215,96 9.234,97 2.714,98 0.039,99 0.364,100 5.531,101 2.313,102 7.701,103 2.985,105 25,106 0.261,107 0.577,108 0.753,109 0.881,110 0.896,111 0.896,112 2.908,113 0.834,114 -3.17,115 -3.16,116 -3.04,119 53.8,141 2,142 6,143 2,145 2,146 1,152 1,168 1,172 8,175 4,180 2,183 8,187 5,192 3,195 6,199 3,204 3,207 5,212 1,217 1,220 5,224 2,227 1,229 1,232 5,236 1,237 2,245 4,250 2,258 3,263 1,271 1,275 298,276 11.983,277 11.983,278 11.983,279 11.983,280 11.983,281 9.891,282 4.389,283 7.37,284 12.118,285 9.415,286 9.415,287 9.415,288 9.415,289 9.415,290 6.351,291 1.739,292 3.523,293 9.617,294 3.33,295 1.673,296 0.75,297 0.077,300 3.594,304 1,305 1,306 296,307 2,310 32.594,311 91.39,314 61.529,318 1.093,319 7.567,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 35.5,331 134,332 4.561,333 3.243,334 6.526,335 4.044,336 3.063,337 4.502,339 10.265,340 3.004,341 4.098,342 2.878,343 5.357,344 3.508,345 2.518,346 3.604,348 6.997,349 2.493,350 3.589,351 2.285,352 5.104,353 2.986,354 2.011,355 2.912,357 5.94,358 1.96,359 3.152,360 1.63,361 4.187,362 2.528,363 1.546,364 2.32,366 3.771,367 1.516,368 3.045,369 1.546,370 3.65,371 2.465,372 1.5,373 2.251,375 3.159,376 1.447,377 2.756,378 1.267,379 3.573,380 2.177,381 1.187,382 1.766,384 2.777,385 1.174,386 2.562,387 1,388 3.247,389 1.956,390 1,391 1.5,393 2.136,394 0.954,395 2.5,396 0.844,397 3.212,398 1.762,399 0.774,400 1.283,402 1.774,403 0.764,404 2.018,405 0.465,406 2.928,407 1.366,408 0.383,409 0.629,411 0.895,412 0.376,413 0.865,414 -0.091,415 2.2,416 0.484,417 -0.492,418 -0.629,420 -1.163,421 -0.479,422 0.701,423 -0.796,424 2,425 0.162,426 -0.827,427 -1.25,428 -1.926,429 -0.816,430 0.63,431 -0.855,432 2,433 0.083,434 -0.9,435 -1.408,436 -2.126,437 -0.884,438 0.5,439 -1,440 1.555,441 -0.026,442 -1,443 -1.5,445 -2.347,446 -0.974,447 0.109,448 -1.135,449 1.373,450 -0.326,451 -1.293,452 -1.797,454 -3.559,455 -1.25,456 -0.213,457 -1.406,458 1.125,459 -0.648,460 -1.627,461 -2.404,463 -4.525,464 -1.591,465 8.2,466 0.482,467 0.239,468 0.014,469 26.5,470 1.559,471 16,472 0.941,473 10.5,474 0.618,475 8.151,476 0.479,477 15.8,478 0.608,479 14.962,480 0.88,481 5.456,482 0.321,483 2.977,484 0.175,487 0.244,493 0.737,494 0.873,495 0.67,496 0.767,497 0.721,498 0.722,499 1.08,500 1.108,501 0.891,502 0.955,503 1.012,504 0.912,505 0.865,506 1.131,507 0.947,508 1.082,509 0.847,510 1.037,511 1.238,512 1.039,513 1.087,514 1.009,515 1.172,516 1.025,517 1.062,518 0.953,519 0.973,520 0.931,521 1.126,522 0.939,523 0.964,524 0.991,525 0.909,526 0.939,527 0.965,528 0.922,529 1.254,530 1.01,531 1.125,532 1.014,533 1.106,534 1.046,535 1.074,536 1.073,537 1.241,538 1.198,539 1.065,540 1.231,541 2,543 1.556,544 0.729,545 0.333,546 0.236,547 0.172,548 0.069,549 0.037,550 0.023,551 2678,552 7178,553 2.2,554 34.6,556 6,558 2,559 1,564 1.564,565 2.17,566 2.998,567 -0.314,571 1,573 35.624,574 1.37,575 3.027,576 3.95,577 4.624,578 4.7,579 4.7,580 2.419,581 3.735,582 4.063,583 3.08,584 418.937,585 6.842,586 3811.22,588 1,590 1,591 122.211,592 0.787,593 4.063,594 0.105,596 0.062,597 0.033,598 0.021,599 0.018,600 0.012,601 0.005,602 0.004,603 0.006,604 0.267,605 1,606 1,608 70.817,609 0.15,610 0.117,611 0.044,612 0.052,613 0.011,614 0.038,615 -0.15,616 -0.124,617 -0.114,618 -0.108,619 -0.181,620 -0.107,621 -0.01,622 -0.202,623 -0.018,624 -0.128,625 0.115,626 -0.086,627 -0.171,628 -0.055,629 -0.088,630 -0.041,631 -0.084,632 -0.051,633 -0.114,634 0.005,635 -0.001,636 0.04,637 -0.155,638 0.034,639 0.125,640 0.019,641 -0.015,642 -0.041,643 -0.045,644 -0.044,645 -0.032,646 0.03,647 -0.175,648 -0.103,649 -0.067,650 -0.145,651 -0.153,652 -0.139,653 -0.226,654 -0.199,655 -0.125,656 -0.217,657 0.829,658 1.188,659 0.882,660 10.208,661 0.998,662 1.105,663 1.94,664 3.765,665 0.742,666 2.996,667 3.258,668 3.526,669 3.761,670 3.892,671 3.807,672 3.892,673 3.97,674 3.85,675 3.85,676 4.727,677 0.717,678 219.26,679 2.996,680 4.489,681 5.323,682 6.172,683 7.022,684 7.879,685 8.736,686 9.597,687 10.459,688 11.323,689 11.5,697 1,699 2,703 2,704 8,705 2,706 1,709 2,711 16,731 26,733 17,734 1,735 19,737 28,738 14,739 12,740 2,741 4,746 3,747 4,760 2,761 12,778 1,781 9,782 2,783 1,784 3,790 3,794 0.667,803 1,805 1,811 1,812 2,815 1,819 2,840 2,848 17,861 1,868 2,877 7.833,878 4.817,879 3.806,880 1.497,881 4.069,882 1.642,883 1.05,884 2.42,885 10.411,886 3.401,887 4.021,888 4.708,889 5.346,890 5.873,891 6.186,892 6.666,893 7.127,894 7.377,895 7.798,896 1,897 22,898 6.192,900 2.564,901 7.627,902 11.807,904 9.389,905 2.127,906 36.167,907 0.002,910 94.169,911 119.673,912 50.112,917 119.673,918 94.169,919 50.112,922 56.857,923 56.991,924 42.661,925 36.818,926 70.627,928 94.169,929 169.784,933 94.169,937 36.902,938 65.373,939 67.51,941 94.169,942 50.112,943 119.673,946 94.169,947 10.659,948 74.952,949 50.724,950 33.449,951 94.169,952 50.112,953 119.673,955 0.563,956 0.329,957 0.183,958 0.093,959 13,960 4,963 1,964 1.133,965 3.135,966 116.508,967 0.133,968 15,969 69.487,974 9.773,975 4.21,976 1.944,977 1.979,978 33.449,979 15.178,980 8.206,981 2.94,984 1.732,986 16.663,987 263.953,988 29,999 25.956,1000 28.741,1001 0.291,1002 0.644,1003 0.84,1004 0.984,1005 1,1006 1,1007 4.585,1008 0.774,1009 5.252,1010 2.136,1011 3.932,1012 4.705,1014 5.999,1015 3.892,1016 5.808,1017 0.383,1018 6.758,1019 1.774,1020 3.219,1021 4.227,1023 6.783,1024 3.17,1025 7.11,1026 -0.492,1027 8.372,1028 0.895,1029 5.442,1030 6.987,1032 9.897,1033 5.369,1034 8.455,1035 -0.827,1036 10.055,1037 -1.163,1038 5.673,1039 7.504,1041 11.633,1042 5.586,1043 9.836,1044 -0.9,1045 11.787,1046 -1.926,1047 7.266,1048 9.571,1050 14.215,1051 7.159,1052 11.243,1053 -1,1054 13.553,1055 -2.126,1056 7.958,1057 10.586,1059 16.315,1060 7.832,1061 12.671,1062 -1.293,1063 15.344,1064 -2.347,1065 9.272,1066 12.339,1068 18.73,1069 9.129,1070 3.063,1071 -1.627,1072 17.153,1073 -3.559,1074 10.188,1075 13.605,1077 20.971,1078 10.024,1079 2.518,1080 10.265,1081 18.976,1082 -4.525,1083 11.382,1084 15.215,1086 23.33,1087 11.2,1088 2.011,1089 6.997,1090 20.81,1091 4.502,1092 12.403,1093 16.605,1095 25.623,1096 12.2,1097 1.546,1098 5.94,1099 22.652,1100 3.604,1101 13.548,1102 18.152,1104 27.963,1105 13.325,1106 1.5,1107 3.771,1108 24.501,1109 2.912,1110 14.619,1111 19.601,1113 30.278,1114 14.375,1115 1.187,1116 3.159,1117 26.355,1118 2.32,1119 15.744,1120 21.121,1122 32.611,1123 15.481,1124 1,1125 2.777,1126 28.213,1127 2.251,1128 16.838,1129 22.598,1131 34.934,1132 16.555,1133 2547,1134 4263,1135 13.405,1136 19.301,1137 29.089,1138 28.136,1139 28.2,1140 27.966,1141 27.964,1142 41.532,1144 75.428,1145 27.374,1146 5.061,1147 5.243,1148 6.328,1149 5.08,1150 5.063,1151 7.502,1153 16.922,1154 5.004,1156 1.531,1157 1.481,1158 1.484,1159 1.472,1160 1.472,1161 2.186,1163 3.97,1164 1.441,1165 4.1,1166 4.138,1167 4.07,1168 4.005,1169 5.136,1170 4.015,1171 3.855,1172 3.894,1173 3.801,1174 3.768,1175 4.925,1176 3.771,1177 3.43,1178 3.488,1179 3.354,1180 3.309,1181 4.528,1182 3.315,1183 3.093,1184 3.14,1185 3.035,1186 2.957,1187 4.343,1188 2.969,1189 2.874,1190 2.933,1191 2.751,1192 2.77,1193 3.803,1194 2.759,1195 2.757,1196 2.843,1197 2.62,1198 2.56,1199 3.706,1200 2.564,1201 2.512,1202 2.574,1203 2.387,1204 2.39,1205 3.415,1206 2.384,1207 2.413,1208 2.517,1209 2.255,1210 2.12,1211 3.227,1212 2.145,1213 0.24,1214 0.171,1215 0.343,1216 0.213,1217 0.161,1218 4.561,1219 0.237,1220 3.243,1222 6.526,1223 0.54,1224 4.044,1225 0.158,1226 3.063,1227 4.502,1229 10.265,1230 3.004,1231 1.935,1232 1.915,1233 2.021,1234 1.999,1235 1.127,1236 2.007,1237 1.834,1238 1.802,1239 1.939,1240 1.946,1241 0.94,1242 1.947,1243 1.452,1244 1.402,1245 1.544,1246 1.704,1247 0.497,1248 1.657,1249 1.047,1250 0.987,1251 1.212,1252 1.224,1253 0.213,1254 1.224,1255 0.903,1256 0.862,1257 1.094,1258 1.032,1259 0.182,1260 1.058,1261 0.744,1262 0.667,1263 1.037,1264 0.97,1265 0.017,1266 1.002,1267 0.7,1268 0.611,1269 0.978,1270 0.954,1272 0.972,1273 0.432,1274 0.362,1275 0.702,1276 0.617,1278 0.652,1279 3.664,1281 4.934,1282 2.398,1283 6.412,1284 4.727,1285 7.978,1286 6.823,1287 9.587,1304 6.131,1305 18.645,1306 35.624,1307 78.702,1308 102.702,1309 120.211,1310 122.211,1311 122.211,1312 14.554,1313 6.342,1314 41.57,1315 41.57,1316 17,1317 11.871,1318 4.17,1319 3.459,1320 23.871,1321 48,1322 42,1323 0.247,1324 116.919,1325 190.22,1326 277.043,1327 4315,1329 11.502,1330 0.677,1331 0.53,1332 11.502,1333 9.013,1334 8.433,1335 0.444,1336 0.278,1337 5.237,1338 8.227,1339 5.126,1340 4.287,1341 8.433,1342 5.285,1343 7.127,1344 0.285,1345 0.144,1346 7.127,1347 3.607,1348 6.152,1349 0.186,1350 0.074,1351 6.152,1352 2.455,1353 5.142,1354 0.122,1355 0.039,1356 5.142,1357 1.626,1358 3.983,1359 0.083,1360 0.021,1361 3.983,1362 0.999,1363 0.383,1364 52.004,1365 0.273,1366 17.31,1367 0.682,1368 88,1369 243.623,1370 92.829,1371 248.47,1372 349.78,1373 234,1374 102,1375 266.564,1376 107.579,1377 274.908,1378 394.93,1379 259,1380 5.733}
{0 CHEMBL1631892,1 1.37,2 7.882,3 2.861,4 8.182,5 67.244,6 8.433,7 0.842,8 3.388,9 3.498,10 3.082,11 3.053,12 4.621,13 3.04,14 3.8,15 3.934,16 3.363,17 3.382,18 4.98,19 3.354,20 3.925,21 4.113,22 3.265,23 3.382,24 5.048,25 3.315,26 3.757,27 3.962,28 2.992,29 3.141,30 4.874,31 3.062,32 3.488,33 3.699,34 2.768,35 2.897,36 4.544,37 2.826,38 3.373,39 3.543,40 2.826,41 2.873,42 4.475,43 2.831,44 3.503,45 3.699,46 2.795,47 2.915,48 4.575,49 2.845,50 3.454,51 3.686,52 2.508,53 2.75,54 4.466,55 2.633,56 0.037,57 0.373,58 3.77,59 1.852,60 5.001,61 2.214,62 0.031,63 0.564,64 6.236,65 2.895,66 7.826,67 3.434,68 0.047,69 0.628,70 8.751,71 3.852,72 13.31,73 4.933,74 0.053,75 0.54,76 7.706,77 3.215,78 14.122,79 4.078,80 0.046,81 0.406,82 6.147,83 2.525,84 10.332,85 3.263,86 0.027,87 0.364,88 4.669,89 2.027,90 6.149,91 2.51,92 0.071,93 0.43,94 5.734,95 2.345,96 8.296,97 2.911,98 0.068,99 0.4,100 6.175,101 2.521,102 9.877,103 3.309,105 25,106 0.261,107 0.577,108 0.723,109 0.822,110 0.837,111 0.837,112 2.908,113 0.834,114 -3.17,115 -3.16,116 -3.04,119 53.8,141 2,142 6,143 2,145 2,146 1,152 1,168 1,172 8,175 4,180 2,183 9,187 4,192 3,195 6,199 3,204 3,207 4,212 2,217 2,220 6,224 2,232 5,237 1,240 1,245 5,249 1,250 1,258 2,263 2,275 298,276 11.983,277 11.983,278 11.983,279 11.983,280 11.983,281 9.891,282 4.389,283 7.37,284 12.127,285 9.415,286 9.415,287 9.415,288 9.415,289 9.415,290 6.351,291 1.739,292 3.523,293 9.623,294 3.33,295 1.673,296 0.904,297 0.385,298 0.308,299 0.308,300 3.594,304 1,305 1,306 296,307 2,310 32.594,311 91.39,314 61.529,318 1.093,319 7.527,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 35.5,331 134,332 4.561,333 3.243,334 6.526,335 4.044,336 3.063,337 4.502,339 10.265,340 3.004,341 4.098,342 2.878,343 5.357,344 3.512,345 2.518,346 3.604,348 6.997,349 2.502,350 3.589,351 2.285,352 5.104,353 2.986,354 2.011,355 2.912,357 5.94,358 1.96,359 3.152,360 1.63,361 4.187,362 2.528,363 1.546,364 2.32,366 3.771,367 1.516,368 3.045,369 1.546,370 3.65,371 2.444,372 1.5,373 2.251,375 3.159,376 1.414,377 2.756,378 1.267,379 3.573,380 2.174,381 1.187,382 1.766,384 2.777,385 1.17,386 2.562,387 1,388 3.247,389 1.984,390 1,391 1.5,393 2.136,394 0.983,395 2.5,396 0.844,397 3.212,398 1.759,399 0.774,400 1.283,402 1.774,403 0.762,404 2.018,405 0.465,406 2.928,407 1.364,408 0.383,409 0.629,411 0.895,412 0.375,413 0.865,414 -0.091,415 2.2,416 0.489,417 -0.492,418 -0.629,420 -1.163,421 -0.482,422 0.701,423 -0.796,424 2,425 0.163,426 -0.827,427 -1.25,428 -1.926,429 -0.818,430 0.63,431 -0.855,432 2,433 0.089,434 -0.9,435 -1.408,436 -2.126,437 -0.89,438 0.5,439 -1,440 1.555,441 -0.049,442 -1,443 -1.5,445 -2.347,446 -0.946,447 0.109,448 -1.135,449 1.373,450 -0.321,451 -1.293,452 -1.797,454 -3.559,455 -1.257,456 -0.213,457 -1.406,458 1.125,459 -0.646,460 -1.627,461 -2.404,463 -4.525,464 -1.596,465 8.2,466 0.482,467 0.239,468 0.014,469 26.5,470 1.559,471 16,472 0.941,473 10.5,474 0.618,475 8.161,476 0.48,477 15.8,478 0.608,479 14.953,480 0.88,481 5.456,482 0.321,483 2.977,484 0.175,487 0.244,493 0.737,494 0.873,495 0.67,496 0.767,497 0.721,498 0.722,499 1.08,500 1.108,501 0.891,502 0.955,503 0.993,504 0.912,505 0.909,506 1.045,507 0.961,508 1.028,509 0.922,510 1.007,511 1.124,512 1.106,513 1.115,514 1.107,515 1.166,516 1.109,517 1.029,518 0.923,519 0.943,520 0.902,521 1.028,522 0.91,523 1.071,524 1.098,525 0.911,526 0.968,527 0.887,528 0.931,529 1.134,530 0.932,531 1.149,532 1.027,533 1.043,534 1.077,535 0.921,536 0.956,537 1.223,538 1.166,539 1.09,540 1.217,541 2,543 1.556,544 0.729,545 0.333,546 0.236,547 0.172,548 0.069,549 0.037,550 0.023,551 2678,552 7262,553 2.2,554 34.6,556 6,558 2,559 1,564 1.564,565 2.17,566 2.998,567 -0.314,571 1,573 35.624,574 1.37,575 3.027,576 3.796,577 4.316,578 4.393,579 4.393,580 2.419,581 3.735,582 4.063,583 3.08,584 418.937,585 6.842,586 3811.22,588 1,590 1,591 122.211,592 0.787,593 4.063,594 0.105,596 0.062,597 0.033,598 0.021,599 0.018,600 0.012,601 0.005,602 0.004,603 0.006,604 0.267,605 1,606 1,608 70.817,609 0.15,610 0.117,611 0.044,612 0.052,613 0.011,614 0.038,615 -0.15,616 -0.124,617 -0.114,618 -0.108,619 -0.162,620 -0.107,621 -0.055,622 -0.113,623 -0.033,624 -0.072,625 0.035,626 -0.054,627 -0.138,628 -0.145,629 -0.141,630 -0.145,631 -0.121,632 -0.144,633 -0.086,634 0.029,635 0.057,636 0.088,637 -0.042,638 0.09,639 -0.099,640 -0.123,641 -0.028,642 -0.06,643 -0.058,644 -0.041,645 -0.033,646 0.075,647 -0.206,648 -0.098,649 -0.111,650 -0.157,651 0.083,652 -0.003,653 -0.168,654 -0.154,655 -0.043,656 -0.184,657 0.822,658 1.191,659 0.882,660 10.208,661 0.998,662 1.105,663 1.94,664 3.765,665 0.742,666 2.996,667 3.258,668 3.526,669 3.761,670 3.892,671 3.807,672 3.892,673 3.97,674 3.85,675 3.85,676 4.727,677 0.717,678 219.26,679 2.996,680 4.489,681 5.323,682 6.172,683 7.022,684 7.879,685 8.736,686 9.597,687 10.459,688 11.323,689 11.5,697 1,699 2,703 2,704 8,705 2,706 1,709 2,711 16,731 26,733 17,734 1,735 19,737 28,738 14,739 12,740 2,741 4,746 3,747 4,760 2,761 12,778 1,781 9,782 2,783 1,784 3,790 3,794 0.667,803 1,805 1,811 1,812 2,815 1,819 2,840 2,848 17,861 1,868 2,877 7.833,878 4.817,879 3.806,880 1.497,881 4.069,882 1.642,883 1.05,884 2.42,885 10.411,886 3.401,887 4.021,888 4.708,889 5.346,890 5.873,891 6.186,892 6.666,893 7.127,894 7.377,895 7.798,896 1,897 22,898 6.192,900 2.563,901 7.627,902 11.807,904 9.389,905 2.127,906 36.167,907 0.002,910 94.169,911 119.673,912 50.112,917 119.673,918 94.169,919 50.112,922 56.857,923 56.991,924 42.661,925 36.818,926 70.627,928 94.169,929 169.784,933 94.169,937 36.902,938 65.373,939 67.51,941 94.169,942 50.112,943 119.673,946 94.169,947 10.659,948 74.952,949 50.724,950 33.449,951 94.169,952 50.112,953 119.673,955 0.563,956 0.329,957 0.183,958 0.093,959 13,960 4,963 1,964 1.133,965 3.135,966 116.508,967 0.133,968 15,969 63.487,974 9.773,975 4.21,976 1.944,977 1.987,978 33.449,979 15.138,980 8.143,981 2.945,984 1.788,986 16.663,987 263.953,988 29,999 25.956,1000 28.741,1001 0.291,1002 0.644,1003 0.808,1004 0.918,1005 0.935,1006 0.935,1007 4.585,1008 0.774,1009 5.252,1010 2.136,1011 3.932,1012 4.705,1014 5.999,1015 3.892,1016 5.808,1017 0.383,1018 6.758,1019 1.774,1020 3.219,1021 4.227,1023 6.783,1024 3.17,1025 7.11,1026 -0.492,1027 8.372,1028 0.895,1029 5.442,1030 6.987,1032 9.897,1033 5.371,1034 8.455,1035 -0.827,1036 10.055,1037 -1.163,1038 5.673,1039 7.504,1041 11.633,1042 5.59,1043 9.836,1044 -0.9,1045 11.787,1046 -1.926,1047 7.266,1048 9.571,1050 14.215,1051 7.163,1052 11.243,1053 -1,1054 13.553,1055 -2.126,1056 7.958,1057 10.586,1059 16.315,1060 7.838,1061 12.671,1062 -1.293,1063 15.344,1064 -2.347,1065 9.272,1066 12.339,1068 18.73,1069 9.134,1070 3.063,1071 -1.627,1072 17.153,1073 -3.559,1074 10.188,1075 13.605,1077 20.971,1078 10.029,1079 2.518,1080 10.265,1081 18.976,1082 -4.525,1083 11.382,1084 15.215,1086 23.33,1087 11.205,1088 2.011,1089 6.997,1090 20.81,1091 4.502,1092 12.403,1093 16.605,1095 25.623,1096 12.205,1097 1.546,1098 5.94,1099 22.652,1100 3.604,1101 13.548,1102 18.152,1104 27.963,1105 13.33,1106 1.5,1107 3.771,1108 24.501,1109 2.912,1110 14.619,1111 19.601,1113 30.278,1114 14.38,1115 1.187,1116 3.159,1117 26.355,1118 2.32,1119 15.744,1120 21.121,1122 32.611,1123 15.485,1124 1,1125 2.777,1126 28.213,1127 2.251,1128 16.838,1129 22.598,1131 34.934,1132 16.558,1133 2547,1134 4285,1135 13.405,1136 19.301,1137 29.089,1138 28.136,1139 28.2,1140 27.97,1141 27.964,1142 41.532,1144 75.428,1145 27.37,1146 5.061,1147 5.243,1148 6.328,1149 5.079,1150 5.063,1151 7.502,1153 16.922,1154 5.004,1156 1.531,1157 1.481,1158 1.484,1159 1.472,1160 1.472,1161 2.186,1163 3.97,1164 1.441,1165 4.101,1166 4.138,1167 4.07,1168 4.006,1169 5.135,1170 4.016,1171 3.856,1172 3.894,1173 3.802,1174 3.771,1175 4.924,1176 3.773,1177 3.427,1178 3.486,1179 3.352,1180 3.298,1181 4.543,1182 3.306,1183 3.07,1184 3.119,1185 3.023,1186 2.914,1187 4.349,1188 2.934,1189 2.858,1190 2.925,1191 2.741,1192 2.75,1193 3.729,1194 2.74,1195 2.854,1196 2.917,1197 2.687,1198 2.735,1199 3.674,1200 2.715,1201 2.453,1202 2.535,1203 2.342,1204 2.279,1205 3.509,1206 2.288,1207 2.39,1208 2.483,1209 2.246,1210 2.1,1211 3.227,1212 2.128,1213 0.24,1214 0.171,1215 0.343,1216 0.213,1217 0.161,1218 4.561,1219 0.237,1220 3.243,1222 6.526,1223 0.54,1224 4.044,1225 0.158,1226 3.063,1227 4.502,1229 10.265,1230 3.004,1231 1.935,1232 1.915,1233 2.021,1234 1.999,1235 1.127,1236 2.008,1237 1.836,1238 1.804,1239 1.939,1240 1.946,1241 0.943,1242 1.947,1243 1.444,1244 1.392,1245 1.535,1246 1.703,1247 0.491,1248 1.655,1249 1.02,1250 0.959,1251 1.181,1252 1.207,1253 0.218,1254 1.2,1255 0.886,1256 0.821,1257 1.172,1258 1.062,1259 0.196,1260 1.107,1261 0.851,1262 0.811,1263 1.043,1264 0.988,1265 0.031,1266 1.011,1267 0.711,1268 0.621,1269 0.971,1270 0.952,1272 0.973,1273 0.323,1274 0.246,1275 0.62,1276 0.551,1278 0.578,1279 3.664,1281 4.934,1282 2.398,1283 6.412,1284 4.727,1285 7.978,1286 6.823,1287 9.587,1304 6.166,1305 18.645,1306 35.624,1307 78.702,1308 98.702,1309 112.211,1310 114.211,1311 114.211,1312 14.467,1313 6.342,1314 41.57,1315 41.57,1316 17,1317 11.871,1318 4.17,1319 3.459,1320 23.871,1321 48,1322 42,1323 0.247,1324 116.919,1325 190.22,1326 277.043,1327 4315,1329 11.502,1330 0.677,1331 0.53,1332 11.502,1333 9.013,1334 8.433,1335 0.444,1336 0.278,1337 5.237,1338 8.223,1339 5.127,1340 4.285,1341 8.433,1342 5.285,1343 7.127,1344 0.285,1345 0.144,1346 7.127,1347 3.602,1348 6.152,1349 0.186,1350 0.075,1351 6.152,1352 2.474,1353 5.142,1354 0.122,1355 0.039,1356 5.142,1357 1.624,1358 3.983,1359 0.083,1360 0.021,1361 3.983,1362 0.998,1363 0.383,1364 52.004,1365 0.273,1366 17.31,1367 0.682,1368 88,1369 243.623,1370 92.829,1371 248.339,1372 349.74,1373 234,1374 102,1375 266.564,1376 107.412,1377 274.612,1378 394.49,1379 259,1380 6.444}
{0 CHEMBL1631893,1 1.383,2 7.133,3 2.566,4 6.586,5 62.807,6 7.117,7 0.625,8 3.419,9 3.56,10 2.96,11 2.961,12 4.528,13 2.93,14 3.902,15 4.12,16 3.22,17 3.285,18 4.899,19 3.238,20 3.954,21 4.146,22 3.127,23 3.349,24 4.991,25 3.243,26 4.055,27 4.36,28 2.894,29 3.173,30 4.931,31 3.029,32 3.524,33 3.75,34 2.6,35 2.832,36 4.5,37 2.724,38 3.466,39 3.695,40 2.605,41 2.742,42 4.386,43 2.651,44 3.532,45 3.764,46 2.536,47 2.783,48 4.445,49 2.675,50 3.683,51 3.987,52 2.134,53 2.738,54 4.437,55 2.528,56 0.052,57 0.429,58 5.936,59 2.314,60 6.678,61 3.275,62 0.109,63 0.648,64 10.676,65 3.382,66 11.145,67 5.081,68 0.042,69 0.663,70 10.745,71 4.425,72 13.774,73 6.337,74 0.106,75 0.638,76 13.574,77 4.683,78 20.723,79 7.114,80 0.088,81 0.42,82 7.301,83 2.542,84 11.242,85 3.731,86 0.077,87 0.399,88 6.905,89 2.32,90 7.915,91 3.46,92 0.076,93 0.422,94 7.432,95 2.299,96 8.561,97 3.494,98 0.099,99 0.428,100 9.34,101 3.03,102 12.388,103 4.624,104 9,105 21,106 0.268,107 0.64,108 0.726,109 0.781,110 0.795,111 0.795,112 2.793,113 0.907,114 -3.27,115 -3.26,116 -3.12,119 42.9,124 2,125 1,141 2,142 4,143 1,146 1,152 1,168 1,172 5,175 3,180 2,183 5,187 4,192 3,195 4,199 2,204 2,207 3,212 1,215 1,220 3,223 1,224 1,232 1,237 2,250 1,275 228,276 10.121,277 10.121,278 10.121,279 10.121,280 10.121,281 8.665,282 6.961,283 6.204,284 10.307,285 7.915,286 7.915,287 7.915,288 7.915,289 7.915,290 5.785,291 5.623,292 2.951,293 8.191,294 3.424,295 1.5,296 1.054,297 0.768,298 0.697,299 0.697,300 3.444,304 1,305 1,306 222,307 2.739,310 29.563,311 35.833,314 55.305,318 1.093,319 5.707,322 1,323 0.83,324 0.83,325 0.8,326 0.5,327 1,328 1,329 0.85,330 31.5,331 107,332 4.555,333 3.238,334 6.526,335 4.042,336 3.061,337 4.5,338 1.053,339 10.264,340 3.002,341 3.868,342 2.827,343 5.132,344 3.172,345 2.242,346 3.046,347 0.249,348 6.02,349 2.096,350 3.258,351 2.319,352 4.652,353 2.972,354 2.01,355 2.354,357 5.147,358 1.92,359 3.047,360 1.74,361 4.188,362 2.528,363 1.546,364 2.316,366 3.772,367 1.516,368 3.011,369 1.546,370 3.597,371 2.259,372 1.267,373 1.895,375 2.859,376 1.256,377 2.589,378 1.238,379 3.309,380 1.974,381 1,382 1.508,384 2.208,385 0.972,386 2.032,387 0.777,388 3,389 1.554,390 0.567,391 0.791,393 1.283,394 0.559,395 1.093,396 0.111,397 2.296,398 0.762,399 -0.205,400 -0.262,402 -0.477,403 -0.198,404 0.699,405 -0.6,406 2,407 0.171,408 -0.817,409 -1,411 -1.932,412 -0.804,413 0.625,414 -0.644,415 2,416 0.097,417 -0.887,418 -1.171,420 -2,421 -0.872,422 0.08,423 -0.84,424 1.499,425 -0.1,426 -1,427 -1.275,428 -2.144,429 -0.9,431 -1.024,432 1.268,433 -0.369,434 -1.319,435 -1.645,436 -3.601,437 -1.252,438 -0.34,439 -1.288,440 1,441 -0.674,442 -1.635,443 -2.358,445 -4.256,446 -1.57,447 -0.401,448 -1.687,449 0.768,450 -0.899,451 -1.871,452 -2.803,454 -4.997,455 -1.808,456 -0.5,457 -1.882,458 0.45,459 -0.99,460 -1.959,461 -2.896,462 -0.4,463 -5.495,464 -1.918,465 7.2,466 0.48,467 0.315,468 0.021,469 19.25,470 1.283,471 10,472 0.667,473 9.25,474 0.617,475 8.883,476 0.592,477 15.6,478 0.557,479 11.247,480 0.75,481 4.129,482 0.275,483 3.142,484 0.209,485 0.139,487 0.264,493 0.852,494 1.23,495 0.835,496 1.04,497 0.806,498 0.954,499 1.536,500 0.885,501 0.886,502 0.672,503 0.924,504 0.702,505 0.722,506 1.37,507 1.086,508 1.357,509 0.891,510 1.278,511 0.785,512 0.837,513 0.72,514 0.761,515 0.946,516 0.738,517 1.178,518 0.97,519 1.193,520 1.079,521 1.634,522 1.128,523 1.079,524 1.169,525 1.056,526 1.109,527 1.032,528 1.085,529 1.685,530 1.179,531 1.348,532 1.147,533 1.14,534 1.2,535 1.326,536 0.822,537 1.259,538 1.003,539 1.289,540 1.103,541 2.5,543 1.556,544 0.917,545 0.262,546 0.226,547 0.183,548 0.188,549 0.054,550 0.031,551 1651,552 3902,553 2.032,554 46.4,556 12,559 1,564 1.526,565 1.915,566 2.852,567 -0.265,571 1,573 38.726,574 1.383,575 3.307,576 3.753,577 4.039,578 4.111,579 4.111,580 2.289,581 3.457,582 3.875,583 2.97,584 311.818,585 6.473,586 2582.75,588 1,591 134.606,592 1.338,593 3.843,594 0.156,596 0.074,597 0.051,598 0.019,599 0.023,600 0.018,601 0.021,602 0.011,603 0.016,604 0.388,605 1,606 1,607 1.69,608 59.289,609 0.199,610 -0.065,611 0.058,612 -0.054,613 0.05,614 -0.02,615 -0.245,616 0.215,617 0.08,618 0.258,619 -0.003,620 0.214,621 -0.012,622 -0.362,623 -0.193,624 -0.342,625 0.07,626 -0.297,627 0.093,628 0.028,629 0.283,630 0.209,631 0.19,632 0.257,633 -0.06,634 0.072,635 -0.245,636 -0.137,637 -0.481,638 -0.198,639 0.108,640 -0.135,641 -0.092,642 -0.18,643 -0.088,644 -0.162,645 -0.379,646 -0.12,647 -0.384,648 -0.244,649 -0.251,650 -0.302,651 -0.287,652 0.077,653 -0.262,654 -0.073,655 -0.271,656 -0.149,657 0.771,658 1.175,659 0.6,660 9.307,661 0.99,662 1.128,663 2.037,664 4.149,665 0.672,666 2.833,667 3.091,668 3.296,669 3.526,670 3.611,671 3.584,672 3.611,673 3.584,674 3.219,675 2.944,676 4.385,677 0.632,678 199.28,679 2.833,680 4.317,681 5.13,682 5.979,683 6.819,684 7.679,685 8.532,686 9.399,687 10.259,688 11.129,689 10.7,692 1,697 1,699 1,703 2,704 4,705 1,706 1,709 1,711 10,731 28,733 11,734 1,735 16,737 29,738 12,739 7,740 2,741 4,746 2,747 3,760 2,761 7,762 3,778 1,781 13,782 2,783 1,784 3,790 3,794 0.5,803 1,811 1,812 1,815 1,819 2,836 1,840 1,844 2,848 15,854 1,859 1,861 1,868 2,877 7.833,878 5.733,879 3.389,880 1.538,881 2.76,882 1.477,883 0.977,884 2.82,885 8.544,886 3.178,887 3.767,888 4.408,889 5.069,890 5.537,891 5.878,892 6.248,893 6.578,894 6.416,895 6.557,896 0.8,897 18,898 5.482,899 -0.001,900 2.166,901 7.567,902 10.565,904 8.081,905 2.067,906 31,907 0.005,910 141.253,911 98.338,912 36.45,917 98.338,918 141.253,919 36.45,920 16.793,921 2.106,922 37.905,923 16.663,924 24.504,925 36.818,926 141.253,928 141.253,929 134.789,933 141.253,937 24.037,938 60.027,939 50.724,941 141.253,942 36.45,943 98.338,946 141.253,947 9.58,948 57.822,949 50.724,950 16.663,951 141.253,952 36.45,953 98.338,955 0.563,956 0.305,957 0.165,958 0.083,959 10,960 4,961 0.034,962 1,963 1,964 1.222,965 2.812,966 92.35,967 0.222,968 9,969 56.603,974 9.914,975 4.267,976 2.243,977 2.051,978 19.787,979 7.969,980 4.175,981 2.945,984 0.896,986 16.663,987 276.042,988 23,999 27.723,1000 31.571,1001 0.288,1002 0.688,1003 0.781,1004 0.84,1005 0.855,1006 0.855,1007 4.376,1008 -0.205,1009 5.081,1010 1.283,1011 3.761,1012 4.449,1013 1.145,1014 5.832,1015 3.7,1016 5.601,1017 -0.817,1018 6.597,1019 -0.477,1020 3.219,1021 4.111,1022 0.325,1023 6.676,1024 3.099,1025 6.908,1026 -0.887,1027 8.222,1028 -1.932,1029 5.273,1030 6.724,1031 1.071,1032 9.767,1033 5.161,1034 8.258,1035 -1,1036 9.916,1037 -2,1038 5.602,1039 7.358,1040 0.522,1041 11.544,1042 5.447,1043 9.642,1044 -1.319,1045 11.657,1046 -2.144,1047 7.111,1048 9.349,1049 1.066,1050 14.135,1051 6.96,1052 11.054,1053 -1.635,1054 13.433,1055 -3.601,1056 7.865,1057 10.462,1058 0.665,1059 16.263,1060 7.687,1061 12.487,1062 -1.871,1063 15.235,1064 -4.256,1065 9.142,1066 12.175,1067 1.081,1068 18.688,1069 8.96,1070 3.061,1071 -1.959,1072 17.055,1073 -4.997,1074 10.099,1075 13.509,1076 0.785,1077 20.942,1078 9.895,1079 2.242,1080 10.264,1081 18.889,1082 -5.495,1083 11.279,1084 15.101,1085 1.108,1086 23.308,1087 11.066,1088 2.01,1089 6.02,1090 20.733,1091 4.5,1092 12.327,1093 16.534,1094 0.891,1095 25.608,1096 12.095,1097 1.546,1098 5.147,1099 22.585,1100 3.046,1101 13.469,1102 18.074,1103 1.145,1104 27.951,1105 13.223,1106 1.267,1107 3.772,1108 24.443,1109 2.354,1110 14.557,1111 19.548,1112 0.988,1113 30.269,1114 14.293,1115 1,1116 2.859,1117 26.305,1118 2.316,1119 15.684,1120 21.068,1121 1.19,1122 32.604,1123 15.404,1124 0.567,1125 2.208,1126 28.171,1127 1.895,1128 16.789,1129 22.559,1130 1.081,1131 34.928,1132 16.49,1133 1716,1134 2721,1135 10.633,1136 18.824,1137 24.595,1138 24.017,1139 24.055,1140 23.441,1141 23.386,1142 32.82,1143 2.604,1144 63.104,1145 22.642,1146 5.173,1147 5.238,1148 6.208,1149 5.042,1150 5.061,1151 7.5,1152 1.955,1153 16.912,1154 5.002,1155 6.52,1156 1.537,1157 1.501,1158 1.503,1159 1.465,1160 1.462,1161 2.051,1162 0.163,1163 3.944,1164 1.415,1165 4.097,1166 4.136,1167 4.065,1168 3.999,1169 5.123,1170 4.009,1171 3.66,1172 3.738,1173 3.548,1174 3.503,1175 4.642,1176 3.505,1177 3.416,1178 3.484,1179 3.31,1180 3.231,1181 4.377,1182 3.24,1183 3.12,1184 3.194,1185 3.002,1186 2.942,1187 4.181,1188 2.947,1189 2.878,1190 3.009,1191 2.736,1192 2.764,1193 3.695,1194 2.75,1195 2.874,1196 2.943,1197 2.499,1198 2.618,1199 3.467,1200 2.57,1201 2.451,1202 2.538,1203 2.284,1204 2.265,1205 3.227,1206 2.249,1207 2.37,1208 2.478,1209 2.135,1210 2.07,1211 3.062,1212 2.085,1213 0.285,1214 0.202,1215 0.408,1216 0.253,1217 0.191,1218 4.555,1219 0.281,1220 3.238,1221 0.066,1222 6.526,1223 0.641,1224 4.042,1225 0.188,1226 3.061,1227 4.5,1228 1.053,1229 10.264,1230 3.002,1231 1.928,1232 1.907,1233 2.018,1234 1.992,1235 1.128,1236 2.002,1237 1.646,1238 1.588,1239 1.857,1240 1.865,1241 0.966,1242 1.868,1243 1.415,1244 1.335,1245 1.585,1246 1.698,1247 0.569,1248 1.662,1249 1.079,1250 0.999,1251 1.417,1252 1.317,1253 0.469,1254 1.338,1255 0.934,1256 0.864,1257 1.339,1258 1.239,1259 0.425,1260 1.308,1261 0.916,1262 0.804,1263 1.113,1264 1.071,1265 0.193,1266 1.092,1267 0.729,1268 0.64,1269 1.037,1270 0.961,1271 0.016,1272 1,1273 0.313,1274 0.217,1275 0.615,1276 0.537,1278 0.57,1279 3.497,1281 4.762,1282 2.398,1283 6.217,1284 4.727,1285 7.765,1286 6.823,1287 9.368,1289 3.999,1295 0.757,1300 2.033,1304 6.173,1305 17.698,1306 38.726,1307 92.606,1308 105.096,1309 113.096,1310 115.096,1311 115.096,1312 13.88,1313 5.784,1314 31.92,1315 31.92,1316 11,1317 11.674,1318 3.585,1319 3,1320 23.749,1321 38,1322 37,1323 0.314,1324 113.91,1325 186.8,1326 269.701,1327 1926,1329 10.673,1330 0.712,1331 0.594,1332 10.673,1333 8.911,1334 7.271,1335 0.454,1336 0.302,1337 4.768,1338 7.019,1339 4.55,1340 3.882,1341 7.271,1342 4.839,1343 6.371,1344 0.303,1345 0.174,1346 6.371,1347 3.655,1348 4.838,1349 0.186,1350 0.08,1351 4.838,1352 2.07,1353 4.004,1354 0.121,1355 0.041,1356 4.004,1357 1.34,1358 2.926,1359 0.081,1360 0.022,1361 2.926,1362 0.793,1363 0.481,1364 45.315,1365 0.307,1366 15.376,1367 0.878,1368 74,1369 197.623,1370 78.857,1371 200.529,1372 277.31,1373 188,1374 84,1375 205.86,1376 89.912,1377 215.568,1378 307.05,1379 199,1380 4.301}
{0 CHEMBL1631894,1 1.37,2 7.882,3 3.289,4 10.818,5 66.872,6 8.433,7 0.842,8 3.388,9 3.498,10 3.082,11 3.053,12 4.618,13 3.04,14 3.8,15 3.933,16 3.369,17 3.374,18 4.993,19 3.348,20 3.927,21 4.122,22 3.268,23 3.361,24 5.056,25 3.299,26 3.739,27 3.945,28 2.989,29 3.118,30 4.853,31 3.046,32 3.466,33 3.672,34 2.779,35 2.876,36 4.56,37 2.811,38 3.353,39 3.527,40 2.843,41 2.816,42 4.524,43 2.79,44 3.415,45 3.595,46 2.782,47 2.857,48 4.52,49 2.807,50 3.424,51 3.649,52 2.48,53 2.762,54 4.413,55 2.649,56 0.037,57 0.373,58 3.77,59 1.852,60 4.809,61 2.214,62 0.022,63 0.564,64 6.183,65 2.91,66 7.994,67 3.475,68 0.051,69 0.636,70 8.999,71 3.854,72 14.246,73 4.942,74 0.062,75 0.537,76 7.625,77 3.071,78 13.463,79 3.84,80 0.068,81 0.41,82 5.843,83 2.377,84 10.37,85 3.048,86 0.053,87 0.377,88 4.611,89 1.881,90 8.36,91 2.304,92 0.042,93 0.391,94 4.956,95 2.008,96 7.057,97 2.39,98 0.057,99 0.383,100 5.872,101 2.341,102 8.965,103 2.962,105 25,106 0.261,107 0.561,108 0.717,109 0.861,110 0.896,111 0.896,112 2.908,113 0.836,114 -3.17,115 -3.16,116 -3.04,119 53.8,141 2,142 7,143 1,145 1,146 2,152 1,168 1,172 7,175 5,180 2,183 7,187 5,192 3,195 6,199 2,204 2,207 5,212 1,215 1,217 1,220 5,223 1,224 2,229 1,232 3,237 3,242 1,245 4,250 2,258 4,271 3,275 298,276 11.983,277 11.983,278 11.983,279 11.983,280 11.983,281 9.891,282 4.389,283 7.37,284 12.12,285 9.415,286 9.415,287 9.415,288 9.415,289 9.415,290 6.351,291 1.739,292 3.523,293 9.628,294 3.33,295 1.756,296 0.939,297 0.183,300 3.594,304 1,305 1,306 296,307 2,310 32.594,311 91.39,314 61.529,318 1.093,319 7.655,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 35.5,331 134,332 4.561,333 3.243,334 6.526,335 4.044,336 3.063,337 4.502,339 10.265,340 3.004,341 4.098,342 2.878,343 5.357,344 3.487,345 2.518,346 3.604,348 6.997,349 2.44,350 3.589,351 2.285,352 5.104,353 2.986,354 2.011,355 2.912,357 5.94,358 1.959,359 3.152,360 1.63,361 4.187,362 2.528,363 1.546,364 2.32,366 3.771,367 1.517,368 3.045,369 1.546,370 3.65,371 2.49,372 1.5,373 2.251,375 3.159,376 1.484,377 2.756,378 1.267,379 3.573,380 2.178,381 1.187,382 1.766,384 2.777,385 1.175,386 2.562,387 1,388 3.247,389 1.959,390 1,391 1.5,393 2.136,394 0.956,395 2.5,396 0.844,397 3.212,398 1.761,399 0.774,400 1.283,402 1.774,403 0.763,404 2.018,405 0.465,406 2.928,407 1.365,408 0.383,409 0.629,411 0.895,412 0.375,413 0.865,414 -0.091,415 2.2,416 0.488,417 -0.492,418 -0.629,420 -1.163,421 -0.482,422 0.701,423 -0.796,424 2,425 0.163,426 -0.827,427 -1.25,428 -1.926,429 -0.817,430 0.63,431 -0.855,432 2,433 0.084,434 -0.9,435 -1.408,436 -2.126,437 -0.885,438 0.5,439 -1,440 1.555,441 -0.025,442 -1,443 -1.5,445 -2.347,446 -0.973,447 0.109,448 -1.135,449 1.373,450 -0.33,451 -1.293,452 -1.797,454 -3.559,455 -1.246,456 -0.213,457 -1.406,458 1.125,459 -0.652,460 -1.627,461 -2.404,463 -4.525,464 -1.583,465 8.2,466 0.482,467 0.239,468 0.014,469 26.5,470 1.559,471 16,472 0.941,473 10.5,474 0.618,475 8.138,476 0.479,477 15.8,478 0.608,479 14.975,480 0.881,481 5.457,482 0.321,483 2.976,484 0.175,487 0.244,493 0.737,494 0.873,495 0.67,496 0.767,497 0.75,498 0.722,499 1.03,500 1.207,501 0.874,502 1.018,503 0.925,504 0.947,505 0.961,506 1.075,507 0.923,508 1,509 0.852,510 0.966,511 1.268,512 1.065,513 1.113,514 1.033,515 1.249,516 1.05,517 0.966,518 0.856,519 0.971,520 0.905,521 1.196,522 0.931,523 1.096,524 1.082,525 0.872,526 0.921,527 1.034,528 0.881,529 1.43,530 1.13,531 1.137,532 1.036,533 1.082,534 1.048,535 1.295,536 0.903,537 1.316,538 1.08,539 1.248,540 1.174,541 2,543 1.556,544 0.729,545 0.333,546 0.236,547 0.172,548 0.069,549 0.037,550 0.023,551 2678,552 7094,553 2.2,554 34.6,556 7,558 1,559 1,564 1.564,565 2.17,566 2.998,567 -0.314,571 1,573 35.624,574 1.37,575 2.945,576 3.762,577 4.518,578 4.7,579 4.7,580 2.419,581 3.735,582 4.063,583 3.08,584 418.937,585 6.842,586 3811.22,588 1,590 1,591 122.211,592 0.787,593 4.063,594 0.105,596 0.062,597 0.033,598 0.021,599 0.018,600 0.012,601 0.005,602 0.004,603 0.006,604 0.267,605 1,606 1,608 70.817,609 0.15,610 0.117,611 0.044,612 0.052,613 -0.018,614 0.038,615 -0.098,616 -0.227,617 -0.097,618 -0.173,619 -0.089,620 -0.143,621 -0.038,622 -0.127,623 0.028,624 -0.041,625 0.146,626 -0.008,627 -0.194,628 -0.076,629 -0.135,630 -0.081,631 -0.17,632 -0.097,633 0.088,634 0.133,635 0.011,636 0.057,637 -0.143,638 0.032,639 0.133,640 -0.034,641 0.027,642 -0.044,643 0.008,644 -0.026,645 -0.276,646 -0.104,647 -0.234,648 -0.144,649 -0.15,650 -0.175,651 -0.297,652 0.061,653 -0.29,654 -0.082,655 -0.261,656 -0.163,657 0.911,658 1.183,659 0.882,660 10.208,661 0.998,662 1.105,663 1.94,664 3.765,665 0.742,666 2.996,667 3.258,668 3.526,669 3.761,670 3.892,671 3.807,672 3.892,673 3.97,674 3.85,675 3.85,676 4.727,677 0.717,678 219.26,679 2.996,680 4.489,681 5.323,682 6.172,683 7.022,684 7.879,685 8.736,686 9.597,687 10.459,688 11.323,689 11.5,697 1,699 2,703 2,704 8,705 2,706 1,709 2,711 16,731 26,733 17,734 1,735 19,737 28,738 14,739 12,740 2,741 4,746 3,747 4,760 2,761 12,778 1,781 9,782 2,783 1,784 3,790 3,794 0.667,803 1,805 1,811 1,812 2,815 1,819 2,840 2,848 17,861 1,868 2,877 7.833,878 4.817,879 3.806,880 1.508,881 4.069,882 1.642,883 1.05,884 2.42,885 10.411,886 3.401,887 4.021,888 4.708,889 5.346,890 5.873,891 6.186,892 6.666,893 7.127,894 7.377,895 7.798,896 1,897 22,898 6.194,900 2.566,901 7.627,902 11.807,904 9.381,905 2.127,906 36.167,907 0.002,910 94.169,911 119.673,912 50.112,917 119.673,918 94.169,919 50.112,922 66.334,923 45.22,924 33.184,925 36.818,926 82.398,928 94.169,929 169.784,933 94.169,937 30.611,938 71.663,939 67.51,941 94.169,942 50.112,943 119.673,946 94.169,947 10.231,948 75.381,949 50.724,950 33.449,951 94.169,952 50.112,953 119.673,955 0.563,956 0.329,957 0.183,958 0.093,959 13,960 4,963 1,964 1.133,965 3.135,966 116.508,967 0.133,968 15,969 69.487,974 9.773,975 4.21,976 1.944,977 1.966,978 33.449,979 15.293,980 8.333,981 2.933,984 1.581,986 16.663,987 263.953,988 29,999 25.956,1000 28.741,1001 0.291,1002 0.626,1003 0.8,1004 0.961,1005 1,1006 1,1007 4.585,1008 0.774,1009 5.252,1010 2.136,1011 3.932,1012 4.705,1014 5.999,1015 3.888,1016 5.808,1017 0.383,1018 6.758,1019 1.774,1020 3.219,1021 4.227,1023 6.783,1024 3.144,1025 7.11,1026 -0.492,1027 8.372,1028 0.895,1029 5.442,1030 6.987,1032 9.897,1033 5.355,1034 8.455,1035 -0.827,1036 10.055,1037 -1.163,1038 5.673,1039 7.504,1041 11.633,1042 5.554,1043 9.836,1044 -0.9,1045 11.787,1046 -1.926,1047 7.266,1048 9.571,1050 14.215,1051 7.136,1052 11.243,1053 -1,1054 13.553,1055 -2.126,1056 7.958,1057 10.586,1059 16.315,1060 7.8,1061 12.671,1062 -1.293,1063 15.344,1064 -2.347,1065 9.272,1066 12.339,1068 18.73,1069 9.102,1070 3.063,1071 -1.627,1072 17.153,1073 -3.559,1074 10.188,1075 13.605,1077 20.971,1078 9.994,1079 2.518,1080 10.265,1081 18.976,1082 -4.525,1083 11.382,1084 15.215,1086 23.33,1087 11.174,1088 2.011,1089 6.997,1090 20.81,1091 4.502,1092 12.403,1093 16.605,1095 25.623,1096 12.174,1097 1.546,1098 5.94,1099 22.652,1100 3.604,1101 13.548,1102 18.152,1104 27.963,1105 13.302,1106 1.5,1107 3.771,1108 24.501,1109 2.912,1110 14.619,1111 19.601,1113 30.278,1114 14.354,1115 1.187,1116 3.159,1117 26.355,1118 2.32,1119 15.744,1120 21.121,1122 32.611,1123 15.461,1124 1,1125 2.777,1126 28.213,1127 2.251,1128 16.838,1129 22.598,1131 34.934,1132 16.537,1133 2547,1134 4243,1135 13.405,1136 19.301,1137 29.089,1138 28.136,1139 28.2,1140 27.975,1141 27.964,1142 41.532,1144 75.428,1145 27.346,1146 5.061,1147 5.243,1148 6.328,1149 5.082,1150 5.063,1151 7.502,1153 16.922,1154 5.004,1156 1.531,1157 1.481,1158 1.484,1159 1.472,1160 1.472,1161 2.186,1163 3.97,1164 1.439,1165 4.1,1166 4.138,1167 4.07,1168 4.004,1169 5.141,1170 4.014,1171 3.853,1172 3.893,1173 3.799,1174 3.76,1175 4.928,1176 3.764,1177 3.434,1178 3.49,1179 3.358,1180 3.326,1181 4.495,1182 3.328,1183 3.104,1184 3.148,1185 3.044,1186 2.971,1187 4.329,1188 2.983,1189 2.874,1190 2.933,1191 2.752,1192 2.77,1193 3.827,1194 2.759,1195 2.773,1196 2.855,1197 2.628,1198 2.607,1199 3.707,1200 2.6,1201 2.465,1202 2.539,1203 2.36,1204 2.303,1205 3.445,1206 2.313,1207 2.398,1208 2.494,1209 2.25,1210 2.103,1211 3.227,1212 2.131,1213 0.24,1214 0.171,1215 0.343,1216 0.213,1217 0.161,1218 4.561,1219 0.237,1220 3.243,1222 6.526,1223 0.54,1224 4.044,1225 0.158,1226 3.063,1227 4.502,1229 10.265,1230 3.004,1231 1.933,1232 1.912,1233 2.02,1234 1.999,1235 1.126,1236 2.007,1237 1.83,1238 1.796,1239 1.941,1240 1.946,1241 0.933,1242 1.947,1243 1.464,1244 1.418,1245 1.553,1246 1.706,1247 0.503,1248 1.661,1249 1.054,1250 0.995,1251 1.213,1252 1.229,1253 0.213,1254 1.23,1255 0.903,1256 0.862,1257 1.107,1258 1.033,1259 0.184,1260 1.063,1261 0.767,1262 0.696,1263 1.041,1264 0.976,1265 0.025,1266 1.006,1267 0.708,1268 0.619,1269 0.974,1270 0.953,1272 0.973,1273 0.333,1274 0.259,1275 0.621,1276 0.554,1278 0.579,1279 3.664,1281 4.934,1282 2.398,1283 6.412,1284 4.727,1285 7.978,1286 6.823,1287 9.587,1304 6.06,1305 18.645,1306 35.624,1307 76.56,1308 97.805,1309 117.457,1310 122.211,1311 122.211,1312 14.389,1313 6.342,1314 41.57,1315 41.57,1316 17,1317 11.871,1318 4.17,1319 3.459,1320 23.871,1321 48,1322 42,1323 0.247,1324 116.919,1325 190.22,1326 277.043,1327 4315,1329 11.502,1330 0.677,1331 0.53,1332 11.502,1333 9.013,1334 8.433,1335 0.444,1336 0.279,1337 5.248,1338 8.23,1339 5.141,1340 4.297,1341 8.433,1342 5.295,1343 7.127,1344 0.285,1345 0.143,1346 7.127,1347 3.581,1348 6.152,1349 0.186,1350 0.074,1351 6.152,1352 2.442,1353 5.142,1354 0.122,1355 0.039,1356 5.142,1357 1.617,1358 3.983,1359 0.083,1360 0.021,1361 3.983,1362 0.997,1363 0.383,1364 51.958,1365 0.273,1366 17.31,1367 0.682,1368 88,1369 243.623,1370 93.162,1371 248.279,1372 350.7,1373 234,1374 102,1375 268.916,1376 107.745,1377 276.309,1378 398.27,1379 261,1380 4}
{0 CHEMBL1631895,1 1.361,2 8,3 3.265,4 10.657,5 74.101,6 8.044,7 0.8,8 3.485,9 3.608,10 3.128,11 3.137,12 4.709,13 3.116,14 3.895,15 4.03,16 3.435,17 3.485,18 5.062,19 3.445,20 4.069,21 4.258,22 3.362,23 3.507,24 5.2,25 3.429,26 3.977,27 4.209,28 3.113,29 3.291,30 5.066,31 3.197,32 3.675,33 3.897,34 2.854,35 3.046,36 4.745,37 2.955,38 3.521,39 3.711,40 2.894,41 2.983,42 4.598,43 2.925,44 3.588,45 3.774,46 2.923,47 3.026,48 4.68,49 2.96,50 3.637,51 3.855,52 2.76,53 2.963,54 4.729,55 2.864,56 0.059,57 0.422,58 4.903,59 2.154,60 7.865,61 2.677,62 0.025,63 0.615,64 7.692,65 3.597,66 7.329,67 4.626,68 0.055,69 0.73,70 10.673,71 4.582,72 16.416,73 6.07,74 0.081,75 0.672,76 10.951,77 4.255,78 19.468,79 5.731,80 0.06,81 0.489,82 7.869,83 3.136,84 14.901,85 4.205,86 0.037,87 0.421,88 6.185,89 2.571,90 8.679,91 3.402,92 0.067,93 0.465,94 6.453,95 2.633,96 8.348,97 3.435,98 0.087,99 0.489,100 7.382,101 2.834,102 12.726,103 3.734,104 2,105 27,106 0.254,107 0.554,108 0.709,109 0.863,110 0.894,111 0.894,112 2.96,113 0.845,114 -4.09,115 -4.03,116 -3.82,119 51.7,141 2,142 8,143 2,144 1,146 1,152 1,163 1,164 1,165 1,168 1,172 10,175 2,180 4,183 12,185 2,187 3,192 5,195 9,197 2,199 2,204 5,207 6,209 2,212 1,217 3,220 7,222 1,224 2,229 1,232 6,237 1,241 1,242 2,244 1,245 7,247 1,250 1,252 1,253 1,255 1,258 5,260 1,268 2,271 3,273 2,275 334,276 12.43,277 12.43,278 12.43,279 12.43,280 12.43,281 10.314,282 7.552,283 7.49,284 12.521,285 9.898,286 9.898,287 9.898,288 9.898,289 9.898,290 6.762,291 5.714,292 3.573,293 10.044,294 3.497,295 1.888,296 1.061,297 0.233,298 0.069,299 0.069,300 3.644,304 1,305 1,306 315,307 2.121,310 35.324,311 98.671,314 66.664,318 1.111,319 9.037,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 37.5,331 144,332 4.562,333 3.245,334 6.526,335 4.044,336 3.063,337 4.503,339 10.265,340 3.004,341 4.155,342 2.932,343 5.508,344 3.642,345 2.649,346 3.739,348 7.449,349 2.629,350 3.742,351 2.36,352 5.125,353 3.068,354 2.089,355 3.025,357 6.007,358 2.044,359 3.293,360 2.18,361 4.739,362 2.876,363 1.896,364 2.58,366 5.26,367 1.855,368 3.046,369 1.546,370 4.183,371 2.528,372 1.546,373 2.318,375 3.76,376 1.516,377 2.957,378 1.305,379 3.593,380 2.234,381 1.238,382 1.884,384 2.822,385 1.233,386 2.649,387 1.229,388 3.487,389 2.16,390 1.167,391 1.713,393 2.609,394 1.158,395 2.559,396 0.847,397 3.255,398 1.767,399 0.777,400 1.289,402 1.799,403 0.769,404 2.019,405 0.471,406 2.974,407 1.371,408 0.385,409 0.631,411 0.914,412 0.379,413 0.972,414 -0.09,415 2.301,416 0.586,417 -0.387,418 -0.494,420 -0.863,421 -0.374,422 0.79,423 -0.257,424 2,425 0.442,426 -0.539,427 -0.669,428 -1.41,429 -0.529,430 0.687,431 -0.804,432 2,433 0.162,434 -0.83,435 -1.251,436 -2.02,437 -0.823,438 0.627,439 -0.858,440 2,441 0.087,442 -0.907,443 -1.415,445 -2.22,446 -0.901,447 0.122,448 -1.116,449 1.624,450 -0.271,451 -1.249,452 -1.728,454 -3.359,455 -1.22,456 -0.035,457 -1.259,458 1.338,459 -0.441,460 -1.406,461 -1.934,463 -3.672,464 -1.36,465 8.7,466 0.483,467 0.346,468 0.019,469 27.25,470 1.514,471 16.5,472 0.917,473 10.75,474 0.597,475 9.287,476 0.516,477 17.1,478 0.59,479 16.326,480 0.907,481 5.597,482 0.311,483 3.229,484 0.179,485 0.046,487 0.287,493 0.985,494 0.728,495 0.757,496 0.671,497 1.158,498 0.686,499 0.816,500 1.14,501 0.822,502 1.001,503 0.686,504 0.93,505 0.929,506 1.142,507 1.003,508 1.103,509 1.008,510 1.069,511 1.14,512 1.053,513 1.017,514 0.999,515 0.985,516 0.996,517 1.09,518 0.946,519 1.015,520 0.953,521 1.077,522 0.971,523 0.989,524 1.053,525 0.866,526 0.932,527 0.879,528 0.895,529 1.046,530 1.047,531 1.054,532 1.052,533 0.871,534 1.054,535 1.245,536 1.005,537 1.243,538 1.11,539 1.14,540 1.163,541 3,542 0.012,543 1.778,544 1.042,545 0.524,546 0.236,547 0.213,548 0.122,549 0.117,550 0.041,551 3073,552 7929,553 2.154,554 37.9,556 8,559 3,564 1.582,565 2.077,566 3.027,567 1.088,569 1,571 1,573 39.469,574 1.361,575 2.97,576 3.797,577 4.625,578 4.789,579 4.789,580 2.441,581 3.725,582 4.147,583 3.133,584 479.423,585 7.011,586 4578.48,587 1,588 1,590 1,591 140.881,592 1.135,593 4.128,594 0.15,595 0.006,596 0.066,597 0.043,598 0.029,599 0.017,600 0.014,601 0.008,602 0.01,603 0.007,604 0.35,605 1,606 1,607 0.463,608 76.831,609 0.018,610 0.319,611 0.01,612 0.18,613 -0.239,614 0.111,615 -0.019,616 -0.173,617 -0.023,618 -0.108,619 0.023,620 -0.075,621 -0.053,622 -0.19,623 -0.092,624 -0.158,625 -0.056,626 -0.135,627 -0.087,628 -0.08,629 -0.007,630 -0.024,631 0.039,632 -0.01,633 -0.122,634 0.016,635 -0.031,636 0.023,637 -0.109,638 0.009,639 -0.038,640 -0.079,641 0.054,642 0.008,643 -0.094,644 0.035,645 0.047,646 -0.033,647 -0.147,648 -0.143,649 -0.005,650 -0.162,651 -0.068,652 0.01,653 -0.268,654 -0.174,655 -0.028,656 -0.229,657 0.948,658 1.71,659 0.833,660 10.79,661 0.994,662 1.109,663 2.857,664 8.16,665 0.726,666 3.045,667 3.332,668 3.584,669 3.829,670 3.951,671 3.892,672 3.951,673 4.043,674 3.97,675 4.007,676 4.925,677 0.696,678 233.29,679 3.045,680 4.554,681 5.389,682 6.248,683 7.098,684 7.962,685 8.817,686 9.684,687 10.543,688 11.411,689 10.3,693 1,697 1,699 1,703 2,704 8,705 1,706 1,709 3,711 16,722 1,731 29,733 17,734 2,735 20,737 31,738 15,739 13,740 4,741 8,746 3,747 4,760 2,761 13,778 1,781 11,782 2,783 3,784 3,790 3,794 0.667,803 1,811 1,812 2,815 1,819 2,840 2,848 18,849 1,861 1,868 2,877 8.667,878 5.2,879 3.972,880 1.614,881 4.103,882 1.635,883 1.059,884 2.66,885 10.568,886 3.434,887 4.073,888 4.748,889 5.388,890 5.92,891 6.24,892 6.71,893 7.175,894 7.459,895 7.904,896 1,897 24,898 6.562,900 2.737,901 7.657,902 12.505,904 10.056,905 2.157,906 38.833,907 0.001,910 94.169,911 123.287,912 66.223,917 123.287,918 94.169,919 66.223,922 108.707,923 16.663,924 27.322,925 36.818,926 94.169,928 94.169,929 189.511,933 94.169,937 18.807,938 119.979,939 50.724,941 94.169,942 66.223,943 123.287,946 94.169,947 13.416,948 75.81,949 50.724,950 49.56,951 94.169,952 66.223,953 123.287,955 0.572,956 0.33,957 0.182,958 0.092,959 14,960 5,963 1,964 1.133,965 3.187,966 126.718,967 0.133,968 15,969 75.059,974 10.733,975 4.461,976 2.192,977 1.961,978 49.56,979 15.413,980 4.196,981 2.944,984 2.443,986 49.56,987 283.679,988 30,999 28.84,1000 32.156,1001 0.28,1002 0.611,1003 0.782,1004 0.952,1005 0.986,1006 0.986,1007 4.635,1008 0.777,1009 5.342,1010 2.609,1011 4.007,1012 4.758,1014 6.103,1015 3.978,1016 5.872,1017 0.385,1018 6.862,1019 1.799,1020 3.434,1021 4.407,1023 6.899,1024 3.374,1025 7.185,1026 -0.387,1027 8.482,1028 0.914,1029 5.541,1030 7.051,1032 9.992,1033 5.482,1034 8.537,1035 -0.539,1036 10.166,1037 -0.863,1038 5.832,1039 7.618,1041 11.695,1042 5.739,1043 9.921,1044 -0.83,1045 11.893,1046 -1.41,1047 7.368,1048 9.634,1050 14.277,1051 7.276,1052 11.329,1053 -0.907,1054 13.65,1055 -2.02,1056 8.082,1057 10.666,1059 16.354,1060 7.958,1061 12.756,1062 -1.249,1063 15.431,1064 -2.22,1065 9.369,1066 12.395,1068 18.767,1069 9.241,1070 3.063,1071 -1.406,1072 17.23,1073 -3.359,1074 10.29,1075 13.665,1077 20.995,1078 10.132,1079 2.649,1080 10.265,1081 19.044,1082 -3.672,1083 11.469,1084 15.263,1086 23.351,1087 11.301,1088 2.089,1089 7.449,1090 20.869,1091 4.503,1092 12.489,1093 16.651,1095 25.638,1096 12.295,1097 1.896,1098 6.007,1099 22.703,1100 3.739,1101 13.623,1102 18.19,1104 27.975,1105 13.415,1106 1.546,1107 5.26,1108 24.545,1109 3.025,1110 14.69,1111 19.636,1113 30.286,1114 14.458,1115 1.238,1116 3.76,1117 26.393,1118 2.58,1119 15.808,1120 21.151,1122 32.618,1123 15.558,1124 1.167,1125 2.822,1126 28.246,1127 2.318,1128 16.897,1129 22.625,1131 34.939,1132 16.626,1133 2946,1134 4823,1135 13.811,1136 21.063,1137 30.962,1138 29.799,1139 30.181,1140 29.651,1141 29.621,1142 43.366,1144 81.772,1145 29.173,1146 5.069,1147 5.245,1148 6.208,1149 5.044,1150 5.063,1151 7.503,1153 16.923,1154 5.004,1155 5.156,1156 1.548,1157 1.49,1158 1.509,1159 1.483,1160 1.481,1161 2.168,1163 4.089,1164 1.459,1165 4.102,1166 4.14,1167 4.071,1168 4.01,1169 5.157,1170 4.019,1171 3.9,1172 3.931,1173 3.843,1174 3.841,1175 5.084,1176 3.838,1177 3.439,1178 3.494,1179 3.366,1180 3.331,1181 4.692,1182 3.334,1183 3.143,1184 3.213,1185 3.073,1186 2.984,1187 4.407,1188 2.999,1189 2.996,1190 3.078,1191 2.85,1192 2.807,1193 4.265,1194 2.806,1195 2.874,1196 2.933,1197 2.748,1198 2.769,1199 3.707,1200 2.757,1201 2.547,1202 2.62,1203 2.414,1204 2.434,1205 3.478,1206 2.423,1207 2.418,1208 2.525,1209 2.258,1210 2.121,1211 3.284,1212 2.147,1213 0.228,1214 0.162,1215 0.326,1216 0.202,1217 0.153,1218 4.562,1219 0.225,1220 3.245,1222 6.526,1223 0.513,1224 4.044,1225 0.15,1226 3.063,1227 4.503,1229 10.265,1230 3.004,1231 1.946,1232 1.926,1233 2.031,1234 2.009,1235 1.129,1236 2.018,1237 1.886,1238 1.86,1239 1.991,1240 1.968,1241 1.055,1242 1.977,1243 1.468,1244 1.423,1245 1.554,1246 1.711,1247 0.502,1248 1.665,1249 1.073,1250 1.009,1251 1.285,1252 1.334,1253 0.213,1254 1.33,1255 0.977,1256 0.901,1257 1.211,1258 1.201,1259 0.19,1260 1.21,1261 0.903,1262 0.858,1263 1.087,1264 1.029,1265 0.165,1266 1.054,1267 0.732,1268 0.65,1269 1.035,1270 0.96,1271 0.013,1272 0.998,1273 0.459,1274 0.383,1275 0.849,1276 0.748,1278 0.792,1279 3.714,1281 5.004,1282 2.398,1283 6.491,1284 4.727,1285 8.065,1286 6.823,1287 9.682,1293 5.71,1304 6.166,1305 20.171,1306 39.469,1307 86.127,1308 110.127,1309 134.127,1310 138.881,1311 138.881,1312 17.533,1313 6.465,1314 54.7,1315 54.7,1316 17,1317 11.957,1318 4.17,1319 3.459,1320 25.879,1321 54,1322 42,1323 0.241,1324 126.512,1325 207.52,1326 300.449,1327 5042,1329 12.372,1330 0.687,1331 0.536,1332 12.372,1333 9.643,1334 8.826,1335 0.441,1336 0.282,1337 5.594,1338 8.658,1339 5.465,1340 4.574,1341 8.826,1342 5.635,1343 7.761,1344 0.287,1345 0.148,1346 7.761,1347 3.991,1348 6.472,1349 0.185,1350 0.077,1351 6.472,1352 2.68,1353 5.488,1354 0.122,1355 0.04,1356 5.488,1357 1.805,1358 4.153,1359 0.081,1360 0.022,1361 4.153,1362 1.102,1363 0.375,1364 54.156,1365 0.269,1366 18.208,1367 0.663,1368 94,1369 241.29,1370 98.468,1371 249.896,1372 352.47,1373 234,1374 109,1375 271.296,1376 113.913,1377 281.314,1378 404.36,1379 265,1380 5.291}
{0 CHEMBL1631896,1 1.287,2 7.188,3 4.228,4 17.873,5 65.855,6 7.01,7 0.556,8 3.497,9 3.624,10 3.039,11 3.128,12 4.502,13 3.078,14 4.043,15 4.219,16 3.349,17 3.533,18 4.954,19 3.447,20 4.275,21 4.536,22 3.185,23 3.528,24 5.122,25 3.377,26 4.008,27 4.289,28 2.942,29 3.216,30 4.908,31 3.084,32 3.572,33 3.78,34 2.725,35 2.963,36 4.486,37 2.862,38 3.633,39 3.843,40 2.805,41 3.006,42 4.485,43 2.915,44 3.813,45 4.055,46 2.703,47 3.085,48 4.597,49 2.944,50 3.758,51 4.04,52 2.249,53 2.92,54 4.431,55 2.696,56 0.057,57 0.428,58 6.42,59 2.786,60 5.894,61 3.848,62 0.056,63 0.712,64 11.689,65 4.965,66 8.467,67 6.994,68 0.085,69 0.844,70 16.022,71 6.541,72 16.899,73 9.424,74 0.091,75 0.652,76 12.555,77 4.655,78 18.561,79 6.815,80 0.057,81 0.441,82 7.529,83 2.833,84 9.432,85 4.065,86 0.067,87 0.477,88 8.063,89 2.871,90 6.768,91 4.152,92 0.09,93 0.554,94 9.99,95 3.554,96 9.154,97 5.162,98 0.065,99 0.483,100 9.692,101 3.899,102 9.126,103 5.628,105 24,106 0.243,107 0.597,108 0.689,109 0.79,110 0.802,111 0.802,112 2.853,113 0.98,114 -4.25,115 -4.19,116 -3.95,119 46.7,121 4,122 1,141 2,142 4,143 1,146 1,152 1,168 1,172 11,175 2,180 2,183 13,187 3,192 3,195 8,199 2,204 3,207 6,212 1,217 2,220 6,224 2,229 2,232 7,237 2,245 7,258 6,271 2,275 256,276 11.276,277 11.276,278 11.276,279 11.276,280 11.276,281 9.897,282 4.126,283 6.87,284 11.346,285 8.915,286 8.915,287 8.915,288 8.915,289 8.915,290 6.809,291 1.545,292 3.273,293 9.023,294 3.62,295 1.751,296 1.267,297 0.733,298 0.667,299 0.667,300 3.534,304 1,305 1,306 255,307 2,310 70.271,311 37.274,314 56.961,318 1.086,319 6.893,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 33,331 115,332 4.559,333 3.267,334 6.526,335 4.044,336 3.063,337 4.5,339 10.265,340 3.004,341 3.972,342 3.013,343 5.368,344 3.537,345 2.538,346 3.131,348 7.027,349 2.536,350 3.384,351 2.289,352 5.105,353 2.988,354 2.011,355 2.576,357 5.943,358 1.964,359 3.048,360 1.549,361 4.187,362 2.528,363 1.546,364 2.318,366 3.77,367 1.516,368 3.016,369 1.542,370 3.608,371 2.334,372 1.335,373 1.867,375 2.923,376 1.334,377 2.587,378 1.252,379 3.498,380 2.134,381 1.145,382 1.509,384 2.641,385 1.132,386 2.094,387 0.814,388 3.155,389 1.717,390 0.725,391 0.982,393 1.658,394 0.719,395 1.954,396 0.618,397 3,398 1.618,399 0.618,400 0.618,402 1.372,403 0.618,404 1.618,405 0.341,406 2.84,407 1.297,408 0.31,409 0.483,411 0.727,412 0.306,413 0.735,414 -0.172,415 2.096,416 0.34,417 -0.652,418 -0.772,420 -1.62,421 -0.645,422 0.64,423 -0.83,424 2,425 0.149,426 -0.845,427 -1.257,428 -2.071,429 -0.838,430 0.165,431 -0.917,432 2,433 -0.113,434 -1.099,435 -1.498,436 -2.643,437 -1.08,438 -0.041,439 -1.246,440 1.354,441 -0.49,442 -1.465,443 -1.618,445 -3.731,446 -1.429,447 -0.363,448 -1.618,449 1,450 -0.618,451 -1.618,452 -1.743,454 -4.372,455 -1.618,456 -0.443,457 -1.666,458 0.887,459 -0.743,460 -1.736,461 -2.372,463 -4.592,464 -1.721,465 7.8,466 0.488,467 0.239,468 0.015,469 19.5,470 1.219,471 10,472 0.625,473 9.5,474 0.594,475 11.274,476 0.705,477 16.2,478 0.54,479 9.86,480 0.616,481 3.452,482 0.216,483 4.48,484 0.28,487 0.256,493 0.716,494 0.909,495 0.833,496 0.896,497 0.617,498 0.878,499 0.833,500 1.193,501 0.957,502 1.1,503 0.744,504 1.049,505 0.693,506 1.08,507 0.911,508 1.043,509 0.745,510 1.003,511 1.096,512 0.896,513 0.815,514 0.791,515 1.262,516 0.783,517 1.472,518 1.096,519 1.142,520 1.046,521 1.574,522 1.064,523 1.71,524 1.134,525 1.151,526 1.018,527 1.336,528 1.038,529 1.792,530 0.992,531 1.32,532 1.055,533 1.455,534 1.134,535 0.99,536 0.954,537 1.239,538 1.156,539 1.133,540 1.205,541 2,543 1.556,544 0.764,545 0.307,546 0.177,547 0.172,548 0.044,549 0.029,550 0.007,551 2258,552 4413,553 2.213,554 46.7,555 9,556 4,559 1,564 1.546,565 2.182,566 2.88,567 -0.352,569 1,573 38.601,574 1.287,575 3.156,576 3.64,577 4.174,578 4.24,579 4.24,580 2.281,581 3.578,582 3.975,583 2.981,584 357.726,585 6.667,586 3093.59,588 1,591 147.207,592 0.811,593 3.975,594 0.111,596 0.065,597 0.04,598 0.02,599 0.015,600 0.013,601 0.004,602 0.005,603 0.003,604 0.277,605 0.83,606 1,608 64.693,609 0.256,610 0.18,611 0.061,612 0.075,613 0.24,614 0.057,615 0.016,616 -0.181,617 -0.043,618 -0.124,619 0.11,620 -0.094,621 0.101,622 -0.158,623 0.054,624 -0.06,625 0.252,626 -0.016,627 0.036,628 0.067,629 0.189,630 0.163,631 0.023,632 0.183,633 -0.228,634 -0.048,635 -0.189,636 -0.111,637 -0.411,638 -0.141,639 -0.255,640 -0.055,641 -0.185,642 -0.105,643 -0.333,644 -0.133,645 -0.415,646 0.05,647 -0.344,648 -0.136,649 -0.427,650 -0.216,651 -0.203,652 -0.049,653 -0.271,654 -0.178,655 -0.28,656 -0.22,657 0.734,658 1.236,659 0.875,660 9.375,661 0.984,662 1.116,663 3.016,664 9.097,665 0.686,666 2.944,667 3.219,668 3.497,669 3.738,670 3.761,671 3.761,672 3.85,673 3.932,674 3.761,675 3.714,676 4.452,677 0.64,678 210.3,679 2.944,680 4.443,681 5.283,682 6.138,683 6.993,684 7.854,685 8.716,686 9.58,687 10.445,688 11.312,689 6.7,697 1,699 1,703 2,704 4,705 1,706 1,709 1,711 10,731 30,733 11,734 1,735 18,737 32,738 14,739 7,740 2,741 4,746 3,747 4,755 4,756 1,758 4,760 2,761 7,762 5,763 1,778 1,781 14,782 1,783 1,784 2,790 2,794 0.667,803 1,811 2,812 1,815 1,819 2,840 2,848 16,854 4,858 1,861 1,868 2,877 7.333,878 5.367,879 3.556,880 2.079,881 2.897,882 1.467,883 1.022,884 2.477,885 9.102,886 3.258,887 3.834,888 4.501,889 5.13,890 5.602,891 5.964,892 6.365,893 6.749,894 6.714,895 6.979,896 0.8,897 19,898 5.909,900 2.493,901 7.427,902 11.759,904 9.95,905 1.927,906 30.833,907 0.007,910 153.024,911 89.578,912 33.326,917 89.578,918 153.024,919 33.326,921 10.138,922 37.905,923 16.663,924 21.38,925 36.818,926 153.024,928 153.024,929 122.904,933 153.024,937 28.945,938 43.235,939 50.724,941 153.024,942 33.326,943 89.578,946 153.024,947 17.612,948 37.905,949 50.724,950 16.663,951 153.024,952 33.326,953 89.578,955 0.567,956 0.334,957 0.186,958 0.081,959 13,960 4,963 1,964 1.143,965 3.037,966 107.927,967 0.143,968 14,969 60,974 9.628,975 4.116,976 1.902,977 2.131,978 16.663,979 8.097,980 4.236,981 3.014,984 0.961,986 16.663,987 275.928,988 25,999 29.505,1000 33.488,1001 0.262,1002 0.643,1003 0.742,1004 0.851,1005 0.864,1006 0.864,1007 4.472,1008 0.618,1009 5.22,1010 1.658,1011 3.892,1012 4.516,1014 5.979,1015 3.867,1016 5.672,1017 0.31,1018 6.735,1019 1.372,1020 3.219,1021 4.111,1023 6.783,1024 3.17,1025 6.974,1026 -0.652,1027 8.355,1028 0.727,1029 5.416,1030 6.768,1032 9.893,1033 5.363,1034 8.321,1035 -0.845,1036 10.045,1037 -1.62,1038 5.707,1039 7.389,1041 11.639,1042 5.627,1043 9.706,1044 -1.099,1045 11.781,1046 -2.071,1047 7.252,1048 9.378,1050 14.215,1051 7.166,1052 11.118,1053 -1.465,1054 13.551,1055 -2.643,1056 7.987,1057 10.482,1059 16.319,1060 7.872,1061 12.552,1062 -1.618,1063 15.343,1064 -3.731,1065 9.269,1066 12.193,1068 18.731,1069 9.145,1070 3.063,1071 -1.736,1072 17.154,1073 -4.372,1074 10.209,1075 13.521,1077 20.972,1078 10.058,1079 2.538,1080 10.265,1081 18.978,1082 -4.592,1083 11.385,1084 15.112,1086 23.33,1087 11.22,1088 2.011,1089 7.027,1090 20.812,1091 4.5,1092 12.418,1093 16.541,1095 25.624,1096 12.228,1097 1.546,1098 5.943,1099 22.654,1100 3.131,1101 13.553,1102 18.081,1104 27.964,1105 13.346,1106 1.335,1107 3.77,1108 24.503,1109 2.576,1110 14.629,1111 19.553,1113 30.278,1114 14.398,1115 1.145,1116 2.923,1117 26.356,1118 2.318,1119 15.749,1120 21.072,1122 32.611,1123 15.499,1124 0.725,1125 2.641,1126 28.214,1127 1.867,1128 16.846,1129 22.563,1131 34.934,1132 16.573,1133 2147,1134 3103,1135 12.712,1136 20.58,1137 27.464,1138 26.739,1139 26.576,1140 26.597,1141 26.582,1142 35.969,1144 72.655,1145 26.258,1146 5.365,1147 5.267,1148 6.208,1149 5.057,1150 5.063,1151 7.5,1153 16.922,1154 5.004,1156 1.526,1157 1.485,1158 1.476,1159 1.478,1160 1.477,1161 1.998,1163 4.036,1164 1.459,1165 4.101,1166 4.14,1167 4.068,1168 4.006,1169 5.123,1170 4.015,1171 3.862,1172 3.915,1173 3.736,1174 3.771,1175 4.633,1176 3.756,1177 3.433,1178 3.491,1179 3.347,1180 3.315,1181 4.374,1182 3.316,1183 3.107,1184 3.166,1185 3.017,1186 2.955,1187 4.095,1188 2.963,1189 2.877,1190 2.979,1191 2.739,1192 2.765,1193 3.686,1194 2.752,1195 2.869,1196 2.941,1197 2.583,1198 2.671,1199 3.227,1200 2.635,1201 2.544,1202 2.629,1203 2.337,1204 2.39,1205 3.209,1206 2.365,1207 2.416,1208 2.521,1209 2.246,1210 2.121,1211 3.057,1212 2.144,1213 0.253,1214 0.181,1215 0.363,1216 0.225,1217 0.17,1218 4.559,1219 0.25,1220 3.267,1222 6.526,1223 0.57,1224 4.044,1225 0.167,1226 3.063,1227 4.5,1229 10.265,1230 3.004,1231 1.929,1232 1.909,1233 2.019,1234 1.991,1235 1.211,1236 2.002,1237 1.685,1238 1.646,1239 1.861,1240 1.817,1241 1.21,1242 1.827,1243 1.577,1244 1.507,1245 1.86,1246 1.751,1247 1.119,1248 1.793,1249 1.371,1250 1.303,1251 1.51,1252 1.645,1253 0.493,1254 1.616,1255 0.985,1256 0.928,1257 1.156,1258 1.153,1259 0.196,1260 1.159,1261 0.777,1262 0.722,1263 1.04,1264 0.965,1265 0.094,1266 1.004,1267 0.642,1268 0.555,1269 0.917,1270 0.839,1271 0.068,1272 0.87,1273 0.312,1274 0.156,1275 0.883,1276 0.675,1278 0.756,1279 3.611,1281 4.89,1282 3.045,1283 6.358,1284 5.283,1285 7.913,1286 7.273,1287 9.518,1295 5.199,1299 0.599,1304 6.596,1305 19.204,1306 38.601,1307 94.677,1308 109.207,1309 125.207,1310 127.207,1311 127.207,1312 15.802,1313 6.205,1314 28.68,1315 28.68,1316 16,1317 11.858,1318 3.585,1319 3,1320 21.929,1321 42,1322 34,1323 0.259,1324 118.907,1325 198.04,1326 281.894,1327 3527,1329 10.795,1330 0.675,1331 0.573,1332 10.795,1333 9.162,1334 7.933,1335 0.441,1336 0.327,1337 5.849,1338 7.802,1339 5.735,1340 4.769,1341 7.933,1342 5.88,1343 6.774,1344 0.282,1345 0.182,1346 6.774,1347 4.366,1348 5.902,1349 0.184,1350 0.101,1351 5.902,1352 3.218,1353 4.965,1354 0.121,1355 0.056,1356 4.965,1357 2.299,1358 3.371,1359 0.08,1360 0.026,1361 3.371,1362 1.083,1363 0.397,1364 48.504,1365 0.28,1366 16.305,1367 0.724,1368 84,1369 187.978,1370 87.441,1371 192.403,1372 274.63,1373 182,1374 98,1375 212.451,1376 102.08,1377 218.167,1378 316.95,1379 207,1380 4}
{0 CHEMBL1631897,1 1.325,2 6.286,3 3.315,4 10.991,5 56.653,6 7.593,7 0.625,8 3.304,9 3.423,10 2.92,11 2.96,12 4.379,13 2.926,14 3.753,15 3.919,16 3.126,17 3.254,18 4.762,19 3.184,20 3.825,21 4.058,22 3.026,23 3.18,24 4.835,25 3.091,26 3.557,27 3.755,28 2.803,29 2.948,30 4.624,31 2.872,32 3.395,33 3.61,34 2.559,35 2.762,36 4.3,37 2.67,38 3.393,39 3.617,40 2.473,41 2.737,42 4.241,43 2.631,44 3.365,45 3.628,46 2.04,47 2.594,48 4.086,49 2.407,50 3.068,51 3.355,52 1.44,53 2.219,54 3.646,55 1.961,56 0.047,57 0.346,58 4.544,59 2.032,60 5.187,61 2.694,62 0.036,63 0.53,64 7.862,65 3.392,66 7.434,67 4.607,68 0.054,69 0.557,70 9.691,71 3.919,72 14.22,73 5.5,74 0.055,75 0.447,76 6.86,77 2.556,78 12.057,79 3.479,80 0.052,81 0.372,82 6.028,83 2.246,84 7.752,85 3.082,86 0.058,87 0.37,88 6.124,89 2.249,90 7.17,91 3.089,92 0.052,93 0.339,94 6.374,95 2.508,96 7.75,97 3.522,98 0.021,99 0.231,100 4.895,101 2.157,102 4.572,103 3.095,105 22,106 0.263,107 0.664,108 0.744,109 0.81,110 0.826,111 0.826,112 2.734,113 0.915,114 -3.71,115 -3.68,116 -3.5,119 50,121 2,122 1,141 2,142 4,143 1,146 1,152 1,168 1,172 9,175 2,180 2,183 8,187 3,192 3,195 6,199 2,204 3,207 4,212 1,217 2,220 6,224 2,232 5,245 5,258 2,275 176,276 9.861,277 9.861,278 9.861,279 9.861,280 9.861,281 8.483,282 4.126,283 5.884,284 9.932,285 7.915,286 7.915,287 7.915,288 7.915,289 7.915,290 5.809,291 1.545,292 2.798,293 8.023,294 3.26,295 1.234,296 0.833,297 0.5,298 0.417,299 0.417,300 3.394,304 1,305 1,306 198,307 2,308 22.941,310 25.528,311 31.256,314 48.045,318 1.041,319 6.239,322 1,323 0.67,324 0.83,325 0.8,326 0.5,327 1,328 1,329 0.83,330 29,331 88,332 4.56,333 3.287,334 6.526,335 4.045,336 3.064,337 4.501,339 10.266,340 3.005,341 4.01,342 3.081,343 5.499,344 3.652,345 2.653,346 3.161,348 7.405,349 2.651,350 3.435,351 2.294,352 5.115,353 2.988,354 2.011,355 2.639,357 5.963,358 1.963,359 3.048,360 1.546,361 4.188,362 2.528,363 1.546,364 2.318,366 3.769,367 1.516,368 3.018,369 1.326,370 3.598,371 2.219,372 1.223,373 1.849,375 2.837,376 1.218,377 2.58,378 1.078,379 3.343,380 1.867,381 0.881,382 1.399,384 2.036,385 0.867,386 2.023,387 0.73,388 3.035,389 1.487,390 0.497,391 0.718,393 1.163,394 0.492,395 0.895,396 0.06,397 2.372,398 0.697,399 -0.293,400 -0.348,402 -0.703,403 -0.29,404 0.685,405 -0.754,406 2,407 0.174,408 -0.818,409 -1,411 -1.918,412 -0.81,413 0.617,414 -0.849,415 2,416 0.106,417 -0.887,418 -1.176,420 -2.132,421 -0.881,422 0.08,423 -1,424 2,426 -1,427 -1.278,428 -3,429 -1,431 -1.153,432 1.409,433 -0.357,434 -1.329,435 -1.674,436 -3.683,437 -1.29,438 -0.344,439 -1.442,440 1.193,441 -0.686,442 -1.672,443 -2.376,445 -4.651,446 -1.647,447 -0.406,448 -1.693,449 0.793,450 -0.907,451 -1.876,452 -2.809,454 -5.19,455 -1.808,456 -0.5,457 -1.882,458 0.612,459 -1,460 -2,461 -2.924,463 -5.504,464 -1.987,465 6.8,466 0.486,467 0.239,468 0.017,469 18.5,470 1.321,471 10,472 0.714,473 8.5,474 0.607,475 8.018,476 0.573,477 13.6,478 0.567,479 9.145,480 0.653,481 3.452,482 0.247,483 3.48,484 0.249,487 0.294,493 0.696,494 0.816,495 0.747,496 0.796,497 0.63,498 0.78,499 0.896,500 1.232,501 0.954,502 1.114,503 0.841,504 1.053,505 0.787,506 1.019,507 0.75,508 0.88,509 0.905,510 0.825,511 1.519,512 1.213,513 1.133,514 1.074,515 1.437,516 1.07,517 1.485,518 1.035,519 1.132,520 0.99,521 1.292,522 1.022,523 1.591,524 0.935,525 1.219,526 0.975,527 1.354,528 1.046,529 1.164,530 0.874,531 1.317,532 1.127,533 1.282,534 1.215,535 0.302,536 1.032,537 1.181,538 1.331,539 0.636,540 1.335,541 2,543 1.611,544 0.764,545 0.217,546 0.146,547 0.116,548 0.023,549 0.01,551 1570,552 3337,553 2.246,554 41.7,555 5,556 4,559 1,564 1.505,565 2.211,566 2.7,567 -0.305,571 1,573 31.8,574 1.325,575 3.351,576 3.752,577 4.085,578 4.168,579 4.168,580 2.217,581 3.522,582 3.778,583 2.797,584 254.548,585 6.283,586 1960.27,588 1,591 110.039,592 0.863,593 3.781,594 0.125,596 0.085,597 0.045,598 0.017,599 0.015,600 0.013,601 0.005,602 0.005,604 0.308,605 1,606 1,608 52.879,609 0.244,610 0.22,611 0.058,612 0.094,613 0.182,614 0.066,615 -0.008,616 -0.259,617 -0.086,618 -0.196,619 0.049,620 -0.158,621 0.128,622 -0.079,623 0.226,624 0.093,625 0.19,626 0.154,627 -0.217,628 -0.171,629 -0.208,630 -0.186,631 -0.222,632 -0.194,633 -0.255,634 -0.013,635 -0.184,636 -0.076,637 -0.297,638 -0.114,639 -0.356,640 0.088,641 -0.261,642 -0.055,643 -0.374,644 -0.132,645 -0.285,646 0.046,647 -0.321,648 -0.14,649 -0.35,650 -0.216,651 0.085,652 -0.247,653 -0.157,654 -0.267,655 0.006,656 -0.24,657 0.715,658 1.19,659 0.857,660 7.653,661 0.989,662 1.111,663 2.481,664 6.154,665 0.711,666 2.833,667 3.135,668 3.332,669 3.555,670 3.664,671 3.664,672 3.714,673 3.714,674 3.367,675 3.135,676 3.922,677 0.673,678 182.24,679 2.833,680 4.344,681 5.198,682 6.066,683 6.934,684 7.807,685 8.679,686 9.553,687 10.426,688 11.301,689 8.3,697 1,699 1,703 2,704 4,705 1,706 1,709 1,711 10,731 24,733 11,734 1,735 16,737 26,738 12,739 7,740 2,741 4,746 3,747 4,755 2,756 1,758 2,760 2,761 7,762 3,763 1,778 1,781 10,782 1,783 1,784 2,790 2,794 0.667,803 1,809 1,811 1,812 1,815 1,819 2,840 2,848 14,854 2,858 1,861 1,868 2,877 6.333,878 4.367,879 3.056,880 1.579,881 2.81,882 1.479,883 1.051,884 1.652,885 8.682,886 3.178,887 3.79,888 4.444,889 5.088,890 5.572,891 5.933,892 6.323,893 6.678,894 6.555,895 6.735,896 1,897 17,898 5.15,899 0.002,900 2.205,901 7.488,902 10.126,903 0.001,904 8.616,905 1.988,906 27.833,907 0.01,910 105.94,911 84.509,912 33.326,917 84.509,918 105.94,919 33.326,921 5.069,922 37.905,923 16.663,924 21.38,925 36.818,926 105.94,928 105.94,929 117.835,933 105.94,937 23.876,938 43.235,939 50.724,941 105.94,942 33.326,943 84.509,946 105.94,947 12.543,948 37.905,949 50.724,950 16.663,951 105.94,952 33.326,953 84.509,955 0.576,956 0.308,957 0.165,958 0.08,959 13,960 4,963 1,964 1.167,965 2.875,966 90.293,967 0.167,968 12,969 51.303,974 7.786,975 2.971,976 1.581,977 2.119,978 16.663,979 8.047,980 4.19,981 2.973,984 0.951,986 16.663,987 223.775,988 23,999 23.738,1000 26.657,1001 0.289,1002 0.731,1003 0.818,1004 0.891,1005 0.909,1006 0.909,1007 4.401,1008 -0.293,1009 5.153,1010 1.163,1011 3.807,1012 4.472,1014 5.938,1015 3.78,1016 5.645,1017 -0.818,1018 6.693,1019 -0.703,1020 3.434,1021 4.205,1023 6.899,1024 3.395,1025 6.968,1026 -0.887,1027 8.339,1028 -1.918,1029 5.398,1030 6.764,1032 9.905,1033 5.344,1034 8.331,1035 -1,1036 10.048,1037 -2.132,1038 5.832,1039 7.413,1041 11.693,1042 5.761,1043 9.724,1044 -1.329,1045 11.798,1046 -3,1047 7.287,1048 9.385,1050 14.242,1051 7.204,1052 11.14,1053 -1.672,1054 13.575,1055 -3.683,1056 8.082,1057 10.492,1059 16.351,1060 7.979,1061 12.576,1062 -1.876,1063 15.372,1064 -4.651,1065 9.329,1066 12.198,1068 18.754,1069 9.213,1070 3.064,1071 -2,1072 17.184,1073 -5.19,1074 10.291,1075 13.526,1077 20.992,1078 10.153,1079 2.653,1080 10.266,1081 19.008,1082 -5.504,1083 11.452,1084 15.116,1086 23.345,1087 11.299,1088 2.011,1089 7.405,1090 20.842,1091 4.501,1092 12.491,1093 16.544,1095 25.636,1096 12.316,1097 1.546,1098 5.963,1099 22.682,1100 3.161,1101 13.618,1102 18.084,1104 27.973,1105 13.425,1106 1.223,1107 3.769,1108 24.529,1109 2.639,1110 14.694,1111 19.555,1113 30.285,1114 14.479,1115 0.881,1116 2.837,1117 26.381,1118 2.318,1119 15.808,1120 21.074,1122 32.616,1123 15.574,1124 0.497,1125 2.036,1126 28.236,1127 1.849,1128 16.902,1129 22.564,1131 34.938,1132 16.646,1133 1491,1134 2253,1135 11.326,1136 17.057,1137 25.222,1138 24.383,1139 24.107,1140 23.748,1141 23.75,1142 33.171,1144 66.878,1145 23.425,1146 5.262,1147 5.287,1148 6.208,1149 5.059,1150 5.064,1151 7.501,1153 16.923,1154 5.005,1156 1.576,1157 1.524,1158 1.507,1159 1.484,1160 1.484,1161 2.073,1163 4.18,1164 1.464,1165 4.104,1166 4.142,1167 4.07,1168 4.009,1169 5.124,1170 4.018,1171 3.87,1172 3.918,1173 3.759,1174 3.789,1175 4.657,1176 3.776,1177 3.41,1178 3.474,1179 3.321,1180 3.269,1181 4.376,1182 3.275,1183 2.984,1184 3.036,1185 2.912,1186 2.851,1187 3.994,1188 2.86,1189 2.785,1190 2.838,1191 2.666,1192 2.697,1193 3.665,1194 2.684,1195 2.423,1196 2.525,1197 2.267,1198 2.142,1199 3.227,1200 2.164,1201 2.094,1202 2.271,1203 1.657,1204 1.756,1205 2.785,1206 1.691,1207 1.869,1208 2.005,1209 1.596,1210 1.604,1211 2.324,1212 1.6,1213 0.285,1214 0.205,1215 0.408,1216 0.253,1217 0.191,1218 4.56,1219 0.281,1220 3.287,1222 6.526,1223 0.642,1224 4.045,1225 0.188,1226 3.064,1227 4.501,1229 10.266,1230 3.005,1231 1.927,1232 1.906,1233 2.016,1234 1.989,1235 1.127,1236 2,1237 1.551,1238 1.515,1239 1.644,1240 1.743,1241 0.825,1242 1.706,1243 1.181,1244 1.109,1245 1.513,1246 1.41,1247 0.807,1248 1.429,1249 1.153,1250 1.064,1251 1.381,1252 1.376,1253 0.469,1254 1.415,1255 0.944,1256 0.895,1257 1.124,1258 1.092,1259 0.194,1260 1.109,1261 0.739,1262 0.658,1263 1.038,1264 0.962,1265 0.02,1266 1.001,1267 0.453,1268 0.372,1269 0.75,1270 0.658,1272 0.695,1275 0.393,1276 0.171,1278 0.26,1279 3.497,1280 1.946,1281 4.796,1282 3.932,1283 6.297,1284 5.82,1285 7.885,1286 7.656,1287 9.516,1295 2.526,1299 0.636,1304 6.391,1305 16.15,1306 31.8,1307 80.429,1308 90.039,1309 98.039,1310 100.039,1311 100.039,1312 12.105,1313 5.872,1314 28.68,1315 28.68,1316 14,1317 11.841,1318 3.585,1319 3,1320 18.253,1321 32,1322 29,1323 0.288,1324 99.723,1325 163.44,1326 235.083,1327 2176,1329 9.38,1330 0.67,1331 0.553,1332 9.38,1333 7.748,1334 6.933,1335 0.433,1336 0.305,1337 4.849,1338 6.802,1339 4.755,1340 3.936,1341 6.933,1342 4.88,1343 6.067,1344 0.276,1345 0.166,1346 6.067,1347 3.659,1348 4.836,1349 0.179,1350 0.08,1351 4.836,1352 2.152,1353 3.954,1354 0.116,1355 0.04,1356 3.954,1357 1.373,1358 2.962,1359 0.078,1360 0.022,1361 2.962,1362 0.837,1363 0.433,1364 42.504,1365 0.297,1366 14.298,1367 0.834,1368 76,1369 179.978,1370 79.441,1371 184.08,1372 263.11,1373 174,1374 90,1375 204.451,1376 94.08,1377 209.844,1378 305.44,1379 199,1380 4}
{0 CHEMBL1631898,1 1.361,2 7.944,3 3.265,4 10.657,5 74.101,6 8.044,7 0.8,8 3.485,9 3.608,10 3.128,11 3.137,12 4.71,13 3.116,14 3.895,15 4.03,16 3.435,17 3.485,18 5.052,19 3.445,20 4.069,21 4.258,22 3.396,23 3.511,24 5.224,25 3.441,26 3.983,27 4.203,28 3.124,29 3.312,30 5.109,31 3.218,32 3.719,33 3.955,34 2.855,35 3.06,36 4.734,37 2.962,38 3.529,39 3.714,40 2.962,41 2.991,42 4.644,43 2.945,44 3.658,45 3.847,46 2.994,47 3.064,48 4.822,49 3.012,50 3.722,51 3.96,52 2.689,53 3.009,54 4.723,55 2.881,56 0.059,57 0.422,58 4.903,59 2.154,60 7.918,61 2.677,62 0.025,63 0.615,64 7.692,65 3.597,66 6.903,67 4.626,68 0.05,69 0.731,70 10.695,71 4.6,72 16.378,73 6.118,74 0.082,75 0.682,76 10.599,77 4.12,78 21.18,79 5.461,80 0.065,81 0.509,82 8.555,83 3.374,84 14.613,85 4.578,86 0.056,87 0.436,88 6.141,89 2.546,90 8.507,91 3.379,92 0.091,93 0.519,94 6.953,95 2.552,96 12.058,97 3.216,98 0.075,99 0.515,100 8.499,101 3.287,102 13.137,103 4.394,104 2,105 27,106 0.254,107 0.554,108 0.688,109 0.842,110 0.894,111 0.894,112 2.96,113 0.846,114 -4.09,115 -4.03,116 -3.82,119 51.7,141 2,142 8,143 2,144 1,146 1,152 1,163 1,164 1,165 1,168 1,172 10,175 2,180 4,183 11,185 2,187 3,192 6,195 9,197 3,199 2,204 5,207 7,209 2,212 1,217 1,220 6,224 1,228 1,229 3,231 1,232 6,234 1,237 2,239 1,240 1,242 2,245 6,247 1,250 1,255 2,258 6,260 2,268 1,271 4,273 1,275 330,276 12.483,277 12.483,278 12.483,279 12.483,280 12.483,281 10.338,282 5.841,283 7.509,284 12.57,285 9.876,286 9.876,287 9.876,288 9.876,289 9.876,290 6.74,291 2.889,292 3.547,293 10.018,294 3.497,295 1.888,296 1.172,297 0.345,298 0.069,299 0.069,300 3.643,304 1,305 1,306 313,307 2.121,310 34.759,311 98.08,314 65.699,318 1.074,319 9.232,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 37.5,331 143,332 4.565,333 3.26,334 6.527,335 4.046,336 3.065,337 4.503,339 10.266,340 3.006,341 4.251,342 3.057,343 6.021,344 3.776,345 2.787,346 3.867,348 8.548,349 2.755,350 3.707,351 2.321,352 5.128,353 3.01,354 2.033,355 2.964,357 5.995,358 1.985,359 3.174,360 1.823,361 4.251,362 2.535,363 1.548,364 2.32,366 3.954,367 1.53,368 3.045,369 1.546,370 4.141,371 2.524,372 1.536,373 2.266,375 3.703,376 1.513,377 2.864,378 1.458,379 3.61,380 2.403,381 1.414,382 2.011,384 2.99,385 1.396,386 2.726,387 1.266,388 3.583,389 2.177,390 1.185,391 1.754,393 2.786,394 1.174,395 2.56,396 0.851,397 3.249,398 1.776,399 0.786,400 1.299,402 1.801,403 0.777,404 2.021,405 0.563,406 2.974,407 1.419,408 0.432,409 0.672,411 0.998,412 0.425,413 1.182,414 0.063,415 2.307,416 0.79,417 -0.181,418 -0.236,420 -0.399,421 -0.175,422 0.738,423 -0.413,424 2,425 0.31,426 -0.675,427 -0.882,428 -1.614,429 -0.664,430 0.656,431 -0.818,432 2,433 0.157,434 -0.836,435 -1.253,436 -2.012,437 -0.828,438 0.619,439 -0.864,440 2,441 0.082,442 -0.913,443 -1.419,445 -2.175,446 -0.907,447 0.109,448 -1.128,449 1.656,450 -0.316,451 -1.291,452 -1.777,454 -3.459,455 -1.256,456 -0.099,457 -1.306,458 1.344,459 -0.447,460 -1.414,461 -1.904,463 -3.635,464 -1.369,465 8.7,466 0.483,467 0.329,468 0.018,469 27.25,470 1.514,471 16.5,472 0.917,473 10.75,474 0.597,475 9.347,476 0.519,477 17.1,478 0.59,479 16.417,480 0.912,481 5.613,482 0.312,483 3.231,484 0.179,485 0.046,487 0.287,493 0.985,494 0.728,495 0.757,496 0.671,497 1.151,498 0.686,499 0.816,500 1.14,501 0.822,502 1.001,503 0.749,504 0.93,505 0.875,506 1.163,507 0.925,508 1.073,509 0.805,510 1.018,511 1.267,512 1.117,513 1.139,514 1.088,515 1.233,516 1.097,517 1.037,518 0.9,519 0.965,520 0.907,521 1.148,522 0.924,523 0.811,524 1.045,525 0.785,526 0.922,527 0.774,528 0.865,529 1.542,530 1.051,531 1.164,532 0.986,533 1.15,534 1.024,535 1.288,536 0.99,537 1.28,538 1.116,539 1.161,540 1.181,541 2.5,543 2.222,544 1.042,545 0.444,546 0.292,547 0.239,548 0.173,549 0.057,550 0.038,551 3021,552 7761,553 2.154,554 37.9,556 8,559 3,564 1.583,565 2.077,566 2.997,567 1.088,569 1,571 1,573 39.469,574 1.361,575 2.97,576 3.686,577 4.513,578 4.789,579 4.789,580 2.394,581 3.948,582 4.148,583 3.094,584 473.438,585 7.018,586 4505.71,587 1,588 1,590 1,591 140.881,592 1.135,593 4.128,594 0.125,596 0.082,597 0.042,598 0.025,599 0.021,600 0.015,601 0.011,602 0.005,603 0.008,604 0.333,605 1,606 1,607 0.463,608 76.533,609 0.018,610 0.319,611 0.01,612 0.18,613 -0.232,614 0.111,615 -0.019,616 -0.173,617 -0.023,618 -0.108,619 -0.042,620 -0.075,621 0.003,622 -0.212,623 -0.011,624 -0.127,625 0.152,626 -0.082,627 -0.172,628 -0.127,629 -0.159,630 -0.137,631 -0.125,632 -0.145,633 -0.082,634 0.051,635 0.049,636 0.09,637 -0.185,638 0.085,639 0.242,640 -0.045,641 0.131,642 -0.001,643 0.112,644 0.042,645 -0.148,646 0.04,647 -0.249,648 -0.119,649 -0.037,650 -0.179,651 -0.256,652 -0.023,653 -0.269,654 -0.136,655 -0.148,656 -0.19,657 0.978,658 1.844,659 0.833,660 10.519,661 0.994,662 1.109,663 2.857,664 8.16,665 0.726,666 3.045,667 3.332,668 3.611,669 3.829,670 3.951,671 3.892,672 3.97,673 4.06,674 3.97,675 3.97,676 4.824,677 0.696,678 233.29,679 3.045,680 4.554,681 5.398,682 6.256,683 7.114,684 7.977,685 8.84,686 9.706,687 10.571,688 11.439,689 10.3,693 1,697 1,699 1,703 2,704 8,705 1,706 1,709 3,711 16,722 1,731 29,733 17,734 2,735 20,737 31,738 15,739 13,740 4,741 8,746 3,747 4,760 2,761 13,778 1,781 11,782 2,783 3,784 3,790 3,794 0.667,803 1,811 1,812 2,815 1,819 2,840 2,848 18,849 1,861 1,868 2,877 8.667,878 5.2,879 4,880 1.621,881 4.137,882 1.64,883 1.059,884 2.66,885 10.602,886 3.434,887 4.073,888 4.761,889 5.398,890 5.914,891 6.243,892 6.713,893 7.192,894 7.459,895 7.879,896 1,897 25,898 6.564,900 2.741,901 7.657,902 12.505,904 10.06,905 2.157,906 38.833,907 0.001,910 94.169,911 123.287,912 66.223,917 123.287,918 94.169,919 66.223,922 108.707,923 16.663,924 27.322,925 36.818,926 94.169,928 94.169,929 189.511,933 94.169,937 18.807,938 119.979,939 50.724,941 94.169,942 66.223,943 123.287,946 94.169,947 13.416,948 75.81,949 50.724,950 49.56,951 94.169,952 66.223,953 123.287,955 0.573,956 0.342,957 0.183,958 0.09,959 14,960 5,963 1,964 1.133,965 3.17,966 127.522,967 0.133,968 15,969 75.059,974 10.733,975 4.461,976 2.063,977 1.947,978 49.56,979 15.439,980 4.195,981 2.939,984 2.332,986 49.56,987 283.679,988 30,999 28.84,1000 32.156,1001 0.28,1002 0.611,1003 0.759,1004 0.929,1005 0.986,1006 0.986,1007 4.635,1008 0.786,1009 5.352,1010 2.786,1011 4.007,1012 4.758,1014 6.129,1015 3.978,1016 5.872,1017 0.432,1018 6.887,1019 1.801,1020 3.434,1021 4.407,1023 6.986,1024 3.374,1025 7.188,1026 -0.181,1027 8.528,1028 0.998,1029 5.557,1030 7.059,1032 10.082,1033 5.497,1034 8.546,1035 -0.675,1036 10.236,1037 -0.399,1038 5.889,1039 7.651,1041 11.831,1042 5.796,1043 9.937,1044 -0.836,1045 11.987,1046 -1.614,1047 7.42,1048 9.66,1050 14.406,1051 7.327,1052 11.353,1053 -0.913,1054 13.767,1055 -2.012,1056 8.173,1057 10.713,1059 16.491,1060 8.048,1061 12.789,1062 -1.291,1063 15.568,1064 -2.175,1065 9.454,1066 12.435,1068 18.895,1069 9.325,1070 3.065,1071 -1.414,1072 17.383,1073 -3.459,1074 10.399,1075 13.716,1077 21.114,1078 10.242,1079 2.787,1080 10.266,1081 19.208,1082 -3.635,1083 11.575,1084 15.308,1086 23.459,1087 11.408,1088 2.033,1089 8.548,1090 21.041,1091 4.503,1092 12.606,1093 16.7,1095 25.734,1096 12.414,1097 1.548,1098 5.995,1099 22.88,1100 3.867,1101 13.738,1102 18.235,1104 28.06,1105 13.533,1106 1.536,1107 3.954,1108 24.724,1109 2.964,1110 14.808,1111 19.681,1113 30.36,1114 14.58,1115 1.414,1116 3.703,1117 26.572,1118 2.32,1119 15.923,1120 21.192,1122 32.682,1123 15.679,1124 1.185,1125 2.99,1126 28.422,1127 2.266,1128 17.012,1129 22.664,1131 34.994,1132 16.747,1133 2899,1134 4738,1135 13.811,1136 21.063,1137 30.826,1138 29.864,1139 30.367,1140 29.6,1141 29.571,1142 43.314,1144 82.085,1145 29.126,1146 5.073,1147 5.26,1148 6.216,1149 5.046,1150 5.065,1151 7.503,1153 16.927,1154 5.006,1155 4.984,1156 1.541,1157 1.493,1158 1.518,1159 1.48,1160 1.479,1161 2.166,1163 4.104,1164 1.456,1165 4.102,1166 4.14,1167 4.072,1168 4.01,1169 5.166,1170 4.019,1171 3.901,1172 3.932,1173 3.845,1174 3.841,1175 5.073,1176 3.838,1177 3.435,1178 3.49,1179 3.36,1180 3.328,1181 4.645,1182 3.33,1183 3.111,1184 3.173,1185 3.045,1186 2.975,1187 4.437,1188 2.986,1189 3.033,1190 3.125,1191 2.88,1192 2.814,1193 4.32,1194 2.818,1195 2.874,1196 2.933,1197 2.75,1198 2.77,1199 3.707,1200 2.758,1201 2.626,1202 2.712,1203 2.465,1204 2.47,1205 3.537,1206 2.462,1207 2.425,1208 2.526,1209 2.266,1210 2.136,1211 3.227,1212 2.159,1213 0.228,1214 0.163,1215 0.326,1216 0.202,1217 0.153,1218 4.565,1219 0.225,1220 3.26,1222 6.527,1223 0.513,1224 4.046,1225 0.15,1226 3.065,1227 4.503,1229 10.266,1230 3.006,1231 1.946,1232 1.926,1233 2.031,1234 2.01,1235 1.129,1236 2.019,1237 1.886,1238 1.86,1239 1.991,1240 1.968,1241 1.055,1242 1.977,1243 1.466,1244 1.42,1245 1.553,1246 1.708,1247 0.503,1248 1.663,1249 1.062,1250 1.001,1251 1.288,1252 1.32,1253 0.213,1254 1.323,1255 0.989,1256 0.907,1257 1.212,1258 1.224,1259 0.192,1260 1.225,1261 0.903,1262 0.86,1263 1.095,1264 1.031,1265 0.161,1266 1.057,1267 0.735,1268 0.654,1269 1.037,1270 0.961,1271 0.012,1272 1,1273 0.555,1274 0.457,1275 0.883,1276 0.819,1278 0.851,1279 3.714,1281 5.004,1282 2.398,1283 6.5,1284 4.727,1285 8.085,1286 6.823,1287 9.712,1293 5.844,1304 6.138,1305 20.171,1306 39.469,1307 86.127,1308 106.881,1309 130.881,1310 138.881,1311 138.881,1312 17.99,1313 6.465,1314 54.7,1315 54.7,1316 17,1317 11.984,1318 4.17,1319 3.459,1320 25.84,1321 53,1322 40,1323 0.246,1324 126.512,1325 207.52,1326 300.449,1327 5042,1329 12.372,1330 0.687,1331 0.536,1332 12.372,1333 9.643,1334 8.843,1335 0.442,1336 0.282,1337 5.6,1338 8.677,1339 5.474,1340 4.58,1341 8.843,1342 5.641,1343 7.645,1344 0.283,1345 0.146,1346 7.645,1347 3.953,1348 6.679,1349 0.186,1350 0.076,1351 6.679,1352 2.745,1353 5.466,1354 0.121,1355 0.04,1356 5.466,1357 1.795,1358 4.148,1359 0.081,1360 0.022,1361 4.148,1362 1.103,1363 0.381,1364 54.257,1365 0.269,1366 18.137,1367 0.684,1368 94,1369 241.29,1370 98.468,1371 249.628,1372 352.99,1373 234,1374 110,1375 272.296,1376 115.079,1377 281.866,1378 406.76,1379 266,1380 4}
{0 CHEMBL1631899,1 1.681,2 9.2,3 5.896,4 34.759,5 81.348,6 10.735,7 0.593,8 3.666,9 3.751,10 3.493,11 3.237,12 5.057,13 3.296,14 4.214,15 4.318,16 4.041,17 3.589,18 6.407,19 3.666,20 4.273,21 4.409,22 3.894,23 3.647,24 5.855,25 3.69,26 4.377,27 4.565,28 3.809,29 3.49,30 5.962,31 3.575,32 4.093,33 4.223,34 3.835,35 3.27,36 5.916,37 3.43,38 4.191,39 4.345,40 3.941,41 3.146,42 6.722,43 3.318,44 3.756,45 3.897,46 3.386,47 3.151,48 5.144,49 3.193,50 3.957,51 4.106,52 3.649,53 3.187,54 5.649,55 3.273,56 0.392,57 0.995,58 1.595,59 3.019,60 77.025,61 2.22,62 1.376,63 2.122,64 5.222,65 5.201,66 246.522,67 3.61,68 0.837,69 1.619,70 5.526,71 5.907,72 122.834,73 5.303,74 1.397,75 1.627,76 13.339,77 6.443,78 239.337,79 4.956,80 0.84,81 1.644,82 5.197,83 4.72,84 124.432,85 3.443,86 2.013,87 2.264,88 10.821,89 5.034,90 341.025,91 2.902,92 0.47,93 0.915,94 3.502,95 3.266,96 78.644,97 2.918,98 0.662,99 1.17,100 4.607,101 3.662,102 93.965,103 3.281,104 41,105 41,106 0.306,107 0.583,108 0.68,109 0.778,110 0.789,111 0.789,112 3.267,113 0.766,114 -6.38,115 -6.21,116 -5.77,119 51.5,132 2,141 2,142 7,143 4,146 1,152 1,168 1,172 12,175 2,180 2,183 14,187 3,192 3,195 11,199 2,204 3,207 7,212 1,217 2,220 7,224 2,229 2,232 7,237 2,242 1,245 8,250 1,258 7,271 4,275 891,276 15.822,277 15.822,278 15.822,279 15.822,280 15.822,281 13.862,282 13.299,283 8.967,284 16.395,285 13.347,286 13.347,287 13.347,288 13.347,289 13.347,290 10.254,291 13.779,292 4.279,293 14.426,294 3.364,295 1.843,296 1.308,297 0.773,298 0.712,299 0.712,300 3.939,305 1,306 483,307 4.123,310 55.342,311 152.547,314 104.118,318 1.328,319 60.118,322 0.75,323 0.67,324 0.83,325 0.3,326 0.5,327 0.83,328 1,329 0.7,330 60,331 230,332 4.591,333 4.483,334 7.183,335 4.278,336 3.398,337 4.503,338 3.825,339 11.963,340 3.042,341 4.541,342 4.439,343 7.052,344 4.059,345 3.23,346 4.076,347 3.825,348 11.446,349 2.996,350 4.292,351 3.244,352 6.526,353 4.043,354 3.062,355 3.425,357 10.265,358 2.676,359 4.009,360 2.904,361 5.433,362 3.41,363 2.453,364 3.261,366 7.254,367 2.317,368 3.499,369 2.313,370 5.117,371 2.979,372 2.01,373 2.79,375 5.979,376 1.94,377 3.132,378 2.043,379 4.632,380 2.556,381 1.627,382 2.319,384 4.841,385 1.516,386 3.045,387 1.634,388 4.377,389 2.527,390 1.546,391 2.164,393 3.92,394 1.46,395 2.794,396 1.546,397 4.183,398 2.211,399 1.285,400 1.779,402 3.757,403 1.182,404 2.65,405 1.276,406 3.593,407 2.185,408 1.194,409 1.698,411 2.808,412 1.157,413 2.567,414 0.853,415 3.279,416 1.769,417 0.78,418 1.296,420 1.818,421 0.77,422 2.019,423 0.51,424 3,425 1.372,426 0.385,427 0.631,428 0.925,429 0.379,430 0.897,431 0.51,432 2.861,433 0.518,434 -0.474,435 -0.611,436 -1.325,437 -0.469,438 0.756,439 0.51,440 2.808,441 0.333,442 -0.644,443 -0.852,445 -2.006,446 -0.625,447 0.711,448 0.51,449 2.379,450 0.181,451 -0.808,452 -1,454 -2.059,455 -0.7,456 0.634,457 0.476,458 2,459 0.125,460 -0.867,461 -1,463 -2.196,464 -0.7,465 11.014,466 0.441,467 1.029,468 0.041,469 31.5,470 1.26,471 16,472 0.64,473 15.5,474 0.62,475 18.218,476 0.729,477 27.386,478 0.83,479 27.776,480 1.111,481 6.733,482 0.269,483 4.91,484 0.196,485 0.156,486 0.091,487 0.272,490 6,493 0.558,494 0.75,495 0.495,496 0.823,497 0.641,498 0.743,499 0.375,500 0.599,501 0.531,502 0.821,503 0.363,504 0.882,505 0.6,506 0.9,507 0.735,508 1.177,509 0.547,510 1.214,511 1.247,512 1.017,513 1.332,514 0.884,515 1.251,516 0.973,517 1.119,518 1.4,519 0.736,520 1.318,521 1.067,522 1.005,523 0.873,524 0.746,525 0.968,526 0.688,527 0.774,528 0.767,529 0.553,530 0.814,531 0.71,532 1.043,533 0.531,534 1.093,535 0.617,536 0.795,537 0.713,538 1.055,539 0.769,540 1.105,541 8,542 0.124,543 3.556,544 1.979,545 1.551,546 1.333,547 0.336,548 0.363,549 0.418,550 0.368,551 6630,552 31490,553 1.973,554 24.2,556 7,559 1,564 1.682,565 1.786,566 3.131,567 -0.238,573 55.468,574 1.681,575 3.202,576 3.736,577 4.271,578 4.332,579 4.332,580 2.449,581 3.783,582 4.621,583 3.353,584 1005.92,585 8,586 12263.5,591 166.465,592 1.801,593 4.523,594 0.296,595 0.008,596 0.087,597 0.052,598 0.047,599 0.04,600 0.011,601 0.016,602 0.015,603 0.014,604 0.587,605 0.67,606 0.88,607 0.971,608 119.828,609 -0.008,610 0.037,611 -0.006,612 0.063,613 -0.096,614 0.057,615 0.48,616 0.38,617 0.151,618 0.122,619 0.488,620 -0.077,621 0.014,622 -0.172,623 0.057,624 -0.264,625 0.048,626 -0.203,627 -0.298,628 -0.106,629 -0.249,630 0.088,631 -0.307,632 0.096,633 -0.189,634 -0.435,635 0.139,636 -0.367,637 -0.141,638 -0.097,639 0.561,640 0.579,641 0.133,642 0.358,643 0.667,644 0.078,645 0.006,646 -0.132,647 0.056,648 -0.166,649 0.02,650 -0.103,651 0.163,652 0.043,653 0.138,654 -0.163,655 0.004,656 -0.182,657 6.154,658 4.826,659 0.6,660 19.226,661 1.078,662 1.167,663 5.15,664 26.527,665 0.703,666 3.332,667 3.738,668 3.912,669 4.127,670 4.369,671 4.394,672 4.443,673 4.477,674 4.419,675 4.595,676 5.828,677 0.743,678 354.27,679 3.332,680 4.92,681 5.759,682 6.666,683 7.531,684 8.432,685 9.307,686 10.204,687 11.083,688 11.979,689 6.1,697 1,699 1,703 2,704 7,705 1,706 1,709 4,711 16,731 33,733 17,734 2,735 27,737 35,738 17,739 13,740 5,741 7,746 3,747 4,752 2,757 2,760 2,761 13,762 2,779 6,781 8,782 7,783 1,784 8,790 2,794 0.667,803 1,811 1,812 2,815 1,819 2,840 2,846 6,848 25,860 2,861 1,868 2,869 6,877 14,878 6.14,879 5.139,880 1.814,881 4.177,882 1.589,883 1.029,884 4.068,885 11.27,886 3.638,887 4.301,888 4.926,889 5.549,890 6.124,891 6.502,892 6.955,893 7.393,894 7.713,895 8.243,896 0.833,897 38,898 10.758,900 6.145,901 8.9,902 15.982,904 13.047,905 3.4,906 85,910 82.398,911 132.944,912 33.326,915 89.761,917 132.944,918 82.398,919 123.087,922 66.334,923 16.663,924 120.698,925 36.818,926 82.398,927 15.519,928 82.398,929 166.271,930 89.761,933 82.398,934 89.761,937 34.326,938 81.22,939 50.724,941 172.158,942 33.326,943 132.944,946 97.917,947 17.031,948 66.334,949 50.724,950 106.424,951 82.398,952 123.087,953 132.944,955 0.611,956 0.327,957 0.158,958 0.094,959 21,960 10,963 1,964 1.133,965 3.555,966 207.202,967 0.133,968 15,969 94.587,974 17.082,975 5.954,976 3.68,977 1.213,978 106.424,979 8.079,980 3.957,981 2.606,984 -2.885,986 16.663,987 338.429,988 37,999 35.581,1000 38.526,1001 0.333,1002 0.635,1003 0.741,1004 0.847,1005 0.859,1006 0.859,1007 4.927,1008 1.285,1009 5.849,1010 3.92,1011 4.419,1012 4.987,1013 3.706,1014 6.749,1015 4.278,1016 6.221,1017 1.194,1018 7.485,1019 3.757,1020 4.443,1021 4.966,1022 4.586,1023 8.122,1024 4.053,1025 7.587,1026 0.78,1027 9.238,1028 2.808,1029 6.205,1030 7.29,1031 6.111,1032 11.075,1033 5.887,1034 8.987,1035 0.385,1036 11.06,1037 1.818,1038 6.957,1039 8.023,1040 7.382,1041 13.162,1042 6.394,1043 10.413,1044 -0.474,1045 12.922,1046 0.925,1047 8.33,1048 9.883,1049 8.751,1050 15.761,1051 7.788,1052 11.858,1053 -0.644,1054 14.811,1055 -1.325,1056 9.353,1057 10.984,1058 10.082,1059 18.083,1060 8.614,1061 13.317,1062 -0.808,1063 16.718,1064 -2.006,1065 10.601,1066 12.636,1067 11.427,1068 20.58,1069 9.831,1070 3.398,1071 -0.867,1072 18.637,1073 -2.059,1074 11.727,1075 13.927,1076 12.767,1077 22.984,1078 10.803,1079 3.23,1080 11.963,1081 20.566,1082 -2.196,1083 12.935,1084 15.484,1085 14.11,1086 25.451,1087 11.946,1088 3.062,1089 11.446,1090 22.5,1091 4.503,1092 14.102,1093 16.873,1094 15.451,1095 27.886,1096 12.985,1097 2.453,1098 10.265,1099 24.44,1100 4.076,1101 15.298,1102 18.387,1103 16.793,1104 30.345,1105 14.099,1106 2.01,1107 7.254,1108 26.383,1109 3.425,1110 16.482,1111 19.826,1112 18.134,1113 32.794,1114 15.169,1115 1.627,1116 5.979,1117 28.33,1118 3.261,1119 17.677,1120 21.324,1121 19.476,1122 35.252,1123 16.272,1124 1.546,1125 4.841,1126 30.279,1127 2.79,1128 18.868,1129 22.788,1130 20.818,1131 37.707,1132 17.358,1133 6551,1134 14485,1135 16.989,1136 23.205,1137 44.126,1138 40.367,1139 42.008,1140 42.406,1141 41.938,1142 55.883,1143 15.301,1144 129.952,1145 38.871,1146 5.289,1147 6.483,1148 6.865,1149 5.282,1150 5.398,1151 7.503,1152 5.335,1153 19.27,1154 5.042,1155 15.247,1156 1.634,1157 1.495,1158 1.556,1159 1.571,1160 1.553,1161 2.07,1162 0.567,1163 4.813,1164 1.44,1165 4.106,1166 4.142,1167 4.077,1168 4.015,1169 8.518,1170 4.024,1171 3.959,1172 3.981,1173 3.936,1174 3.883,1175 8.509,1176 3.888,1177 3.461,1178 3.507,1179 3.475,1180 3.354,1181 7.999,1182 3.361,1183 3.431,1184 3.47,1185 3.418,1186 3.113,1187 7.999,1188 3.179,1189 3.245,1190 3.296,1191 3.217,1192 3.03,1193 7.999,1194 3.058,1195 2.95,1196 3.004,1197 2.91,1198 2.786,1199 7.999,1200 2.788,1201 2.809,1202 2.862,1203 2.716,1204 2.557,1205 5.129,1206 2.607,1207 2.508,1208 2.585,1209 2.393,1210 2.299,1211 4.765,1212 2.324,1213 0.17,1214 0.166,1215 0.266,1216 0.158,1217 0.126,1218 4.591,1219 0.167,1220 4.483,1221 0.142,1222 7.183,1223 0.443,1224 4.278,1225 0.113,1226 3.398,1227 4.503,1228 3.825,1229 11.963,1230 3.042,1231 1.957,1232 1.941,1233 2.028,1234 2.029,1235 1.144,1236 2.024,1237 1.902,1238 1.881,1239 1.985,1240 1.979,1241 1.113,1242 1.983,1243 1.479,1244 1.439,1245 1.552,1246 1.717,1247 0.507,1248 1.668,1249 1.179,1250 1.151,1251 1.224,1252 1.532,1253 0.308,1254 1.414,1255 1.101,1256 1.048,1257 1.222,1258 1.361,1259 0.229,1260 1.3,1261 0.935,1262 0.892,1263 1.088,1264 1.129,1265 0.185,1266 1.108,1267 0.742,1268 0.67,1269 1.035,1270 0.966,1271 0.014,1272 1.002,1273 0.569,1274 0.511,1275 0.704,1276 0.905,1278 0.871,1279 4.007,1281 5.389,1282 2.398,1283 6.94,1284 4.727,1285 8.565,1286 6.823,1287 10.229,1291 76.958,1301 -9.809,1304 4.881,1305 24.503,1306 55.468,1307 105.652,1308 123.304,1309 140.955,1310 142.955,1311 142.955,1312 68.082,1313 7.093,1314 28.68,1315 28.68,1316 17,1317 12.507,1318 4.17,1319 3.459,1320 41.687,1321 87,1322 81,1323 0.234,1324 146.091,1325 267.54,1326 348.223,1327 10795,1328 18.2,1329 18.242,1330 0.73,1331 0.49,1332 13.242,1333 12.256,1334 11.643,1335 0.431,1336 0.255,1337 6.708,1338 10.92,1339 6.68,1340 5.445,1341 9.22,1342 6.891,1343 12.322,1344 0.301,1345 0.126,1346 8.407,1347 5.16,1348 8.682,1349 0.177,1350 0.069,1351 6.703,1352 3.381,1353 6.753,1354 0.111,1355 0.036,1356 6.015,1357 2.216,1358 5.807,1359 0.074,1360 0.019,1361 4.263,1362 1.463,1363 0.362,1364 75.266,1365 0.243,1366 24.023,1367 0.653,1368 136,1369 792.645,1370 173.476,1371 608.445,1372 768.5,1373 558,1374 158,1375 520.451,1376 183.032,1377 491.314,1378 754.41,1379 459,1380 4}
{0 CHEMBL1631900,1 1.497,2 7.188,3 3.673,4 13.492,5 68.357,6 9.346,7 0.833,8 3.314,9 3.404,10 3.166,11 3.084,12 4.511,13 3.021,14 3.725,15 3.83,16 3.433,17 3.417,18 4.872,19 3.338,20 3.797,21 3.972,22 3.203,23 3.299,24 4.909,25 3.2,26 3.612,27 3.81,28 2.997,29 3.057,30 4.722,31 2.969,32 3.364,33 3.553,34 2.793,35 2.861,36 4.405,37 2.766,38 3.305,39 3.462,40 2.958,41 2.876,42 4.388,43 2.789,44 3.367,45 3.535,46 2.949,47 2.932,48 4.37,49 2.771,50 3.145,51 3.346,52 2.459,53 2.651,54 4.016,55 2.421,56 0.038,57 0.31,58 3.15,59 1.705,60 4.274,61 1.974,62 0.023,63 0.47,64 7.041,65 3.168,66 5.086,67 3.357,68 0.032,69 0.521,70 7.962,71 3.643,72 10.67,73 4.42,74 0.053,75 0.466,76 6.3,77 2.809,78 11.694,79 3.286,80 0.04,81 0.352,82 4.865,83 2.203,84 7.58,85 2.604,86 0.04,87 0.339,88 4.695,89 2.024,90 5.889,91 2.251,92 0.053,93 0.374,94 6.784,95 2.681,96 6.253,97 2.759,98 0.025,99 0.275,100 5.912,101 2.491,102 5.047,103 2.885,105 24,106 0.291,107 0.605,108 0.764,109 0.874,110 0.89,111 0.89,112 2.853,113 0.975,114 -3.82,115 -3.78,116 -3.59,119 54.2,141 2,142 5,143 2,146 1,151 2,152 1,168 1,172 7,175 2,180 2,183 9,187 3,192 3,195 6,199 2,204 3,207 5,212 1,217 1,220 5,224 1,229 1,232 5,237 1,245 4,258 3,271 1,275 256,276 11.276,277 11.276,278 11.276,279 11.276,280 11.276,281 9.314,282 4.389,283 6.87,284 11.557,285 8.915,286 8.915,287 8.915,288 8.915,289 8.915,290 6.018,291 1.739,292 3.273,293 9.328,294 3.088,295 1.469,296 0.65,297 0.083,300 3.534,304 1,305 1,306 255,307 2,310 70.271,311 37.274,314 56.961,318 1.086,319 5.915,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 33,331 115,332 4.562,333 3.244,334 6.526,335 4.044,336 3.063,337 4.502,339 10.265,340 3.004,341 4.109,342 2.889,343 5.368,344 3.505,345 2.538,346 3.632,348 7.027,349 2.455,350 3.594,351 2.287,352 5.105,353 2.982,354 2.011,355 2.909,357 5.943,358 1.95,359 3.128,360 1.546,361 4.187,362 2.528,363 1.546,364 2.319,366 3.77,367 1.516,368 3.045,369 1.498,370 3.608,371 2.261,372 1.335,373 2.094,375 2.923,376 1.236,377 2.613,378 1.246,379 3.498,380 2.073,381 1.145,382 1.66,384 2.641,385 1.036,386 2.424,387 0.813,388 3.155,389 1.696,390 0.725,391 1.13,393 1.658,394 0.698,395 2.118,396 0.618,397 3,398 1.504,399 0.618,400 0.927,402 1.372,403 0.532,404 2.011,405 0.333,406 2.84,407 1.272,408 0.31,409 0.537,411 0.727,412 0.296,413 0.743,414 -0.224,415 2.096,416 0.325,417 -0.652,418 -0.83,420 -1.62,421 -0.627,422 0.642,423 -0.834,424 2,425 0.148,426 -0.845,427 -1.26,428 -2.071,429 -0.836,430 0.3,431 -0.947,432 2,433 -0.145,434 -1.099,435 -1.586,436 -2.643,437 -1.016,438 0.055,439 -1.261,440 1.354,441 -0.532,442 -1.465,443 -2.27,445 -3.731,446 -1.307,447 -0.118,448 -1.618,449 1,450 -0.655,451 -1.618,452 -2.427,454 -4.372,455 -1.535,456 -0.313,457 -1.667,458 0.887,459 -0.82,460 -1.736,461 -2.522,463 -4.592,464 -1.641,465 8.133,466 0.508,467 0.239,468 0.015,469 23.5,470 1.469,471 14,472 0.875,473 9.5,474 0.594,475 8.691,476 0.543,477 14.667,478 0.611,479 12.443,480 0.778,481 4.629,482 0.289,483 3.303,484 0.206,487 0.246,493 0.707,494 0.667,495 0.67,496 0.632,497 0.749,498 0.646,499 1.004,500 1.107,501 1.071,502 1.057,503 0.874,504 0.936,505 0.902,506 1.142,507 0.835,508 0.988,509 0.927,510 1.064,511 1.402,512 0.998,513 0.706,514 0.75,515 1.345,516 0.922,517 1.269,518 0.898,519 0.725,520 0.738,521 1.244,522 0.903,523 1.135,524 1.086,525 0.794,526 0.893,527 1.003,528 0.881,529 1.186,530 1.025,531 1.339,532 1.22,533 1.158,534 1.116,535 0.703,536 0.952,537 1.403,538 1.314,539 0.956,540 1.326,541 2,543 1.556,544 0.764,545 0.307,546 0.177,547 0.172,548 0.044,549 0.029,550 0.007,551 2258,552 6430,553 2.213,554 33.3,556 5,557 2,559 1,564 1.546,565 2.182,566 2.88,567 -0.291,571 1,573 35.933,574 1.497,575 3.116,576 3.935,577 4.502,578 4.585,579 4.585,580 2.281,581 3.578,582 3.975,583 2.981,584 357.726,585 6.667,586 3093.59,587 1,588 1,590 1,591 110.039,592 0.811,593 3.975,594 0.111,596 0.065,597 0.04,598 0.02,599 0.015,600 0.013,601 0.004,602 0.005,603 0.003,604 0.277,605 1,606 1,608 64.693,609 0.197,610 0.255,611 0.05,612 0.123,613 -0.016,614 0.074,615 -0.118,616 -0.188,617 -0.197,618 -0.197,619 -0.081,620 -0.149,621 -0.007,622 -0.231,623 -0.069,624 -0.15,625 0.118,626 -0.134,627 -0.184,628 0.02,629 0.011,630 0.055,631 -0.136,632 0.003,633 -0.181,634 0.085,635 0.017,636 0.087,637 -0.212,638 0.026,639 0.014,640 -0.081,641 0.093,642 -0.005,643 -0.076,644 -0.001,645 -0.134,646 -0.007,647 -0.087,648 -0.084,649 -0.204,650 -0.127,651 -0.07,652 -0.061,653 -0.118,654 -0.107,655 -0.139,656 -0.187,657 0.79,658 1.194,659 0.875,660 9.375,661 0.997,662 1.09,663 2.59,664 6.709,665 0.789,666 2.944,667 3.219,668 3.497,669 3.738,670 3.761,671 3.761,672 3.85,673 3.932,674 3.761,675 3.714,676 4.452,677 0.742,678 224.3,679 2.944,680 4.443,681 5.283,682 6.138,683 6.993,684 7.854,685 8.716,686 9.58,687 10.445,688 11.312,689 8.3,697 1,699 1,703 2,704 7,705 1,706 1,708 1,709 2,711 15,731 24,733 16,734 1,735 18,737 26,738 13,739 11,740 2,741 4,746 3,747 4,760 2,761 11,778 1,781 8,782 1,783 1,784 3,785 1,790 2,794 0.667,803 1,811 2,812 1,815 1,819 2,840 2,842 1,848 16,861 1,865 1,868 2,877 7.333,878 4.45,879 3.556,880 1.364,881 3.773,882 1.608,883 1.067,884 2.376,885 9.978,886 3.35,887 3.98,888 4.677,889 5.321,890 5.736,891 6.154,892 6.606,893 7.09,894 7.287,895 7.663,896 0.8,897 19,898 5.846,900 2.443,901 7.563,902 11.261,904 9.117,905 2.063,906 33,907 0.003,910 82.398,911 138.678,912 33.326,916 31.278,917 107.4,918 82.398,919 33.326,922 62.679,923 16.663,924 24.566,925 60.36,926 90.133,928 82.398,929 140.726,931 31.278,933 82.398,937 18.807,938 71.195,939 50.724,940 31.278,941 82.398,942 33.326,943 138.678,946 82.398,947 41.937,948 62.679,949 50.724,950 16.663,951 82.398,952 33.326,953 138.678,955 0.567,956 0.334,957 0.186,958 0.081,959 13,960 4,963 1,964 1.143,965 3.037,966 107.927,967 0.143,968 14,969 64,970 1,974 9.471,975 4.014,976 1.844,977 2.03,978 16.663,979 14.03,980 4.194,981 2.956,983 1.652,984 1.922,986 16.663,987 254.401,988 27.5,999 23.931,1000 26.162,1001 0.327,1002 0.68,1003 0.858,1004 0.982,1005 1,1006 1,1007 4.541,1008 0.618,1009 5.22,1010 1.658,1011 3.892,1012 4.663,1014 5.979,1015 3.819,1016 5.77,1017 0.31,1018 6.735,1019 1.372,1020 3.219,1021 4.227,1023 6.783,1024 3.17,1025 7.078,1026 -0.652,1027 8.355,1028 0.727,1029 5.416,1030 6.958,1032 9.893,1033 5.303,1034 8.432,1035 -0.845,1036 10.045,1037 -1.62,1038 5.707,1039 7.545,1041 11.639,1042 5.597,1043 9.82,1044 -1.099,1045 11.781,1046 -2.071,1047 7.252,1048 9.552,1050 14.215,1051 7.107,1052 11.234,1053 -1.465,1054 13.551,1055 -2.643,1056 7.987,1057 10.619,1059 16.319,1060 7.831,1061 12.667,1062 -1.618,1063 15.343,1064 -3.731,1065 9.269,1066 12.329,1068 18.731,1069 9.09,1070 3.063,1071 -1.736,1072 17.154,1073 -4.372,1074 10.209,1075 13.628,1077 20.972,1078 10.014,1079 2.538,1080 10.265,1081 18.978,1082 -4.592,1083 11.385,1084 15.213,1086 23.33,1087 11.171,1088 2.011,1089 7.027,1090 20.812,1091 4.502,1092 12.418,1093 16.62,1095 25.624,1096 12.187,1097 1.546,1098 5.943,1099 22.654,1100 3.632,1101 13.553,1102 18.153,1104 27.964,1105 13.304,1106 1.335,1107 3.77,1108 24.503,1109 2.909,1110 14.629,1111 19.61,1113 30.278,1114 14.362,1115 1.145,1116 2.923,1117 26.356,1118 2.319,1119 15.749,1120 21.123,1122 32.611,1123 15.465,1124 0.725,1125 2.641,1126 28.214,1127 2.094,1128 16.846,1129 22.604,1131 34.934,1132 16.543,1133 2147,1134 3716,1135 12.712,1136 18.943,1137 27.708,1138 26.649,1139 26.576,1140 26.529,1141 26.582,1142 39.423,1144 72.655,1145 25.448,1146 5.093,1147 5.244,1148 6.208,1149 5.101,1150 5.063,1151 7.502,1153 16.922,1154 5.004,1156 1.539,1157 1.48,1158 1.476,1159 1.474,1160 1.477,1161 2.19,1163 4.036,1164 1.414,1165 4.1,1166 4.138,1167 4.21,1168 4.016,1169 5.13,1170 4.018,1171 3.841,1172 3.846,1173 4.051,1174 3.884,1175 4.791,1176 3.811,1177 3.418,1178 3.476,1179 3.383,1180 3.313,1181 4.429,1182 3.303,1183 3.018,1184 3.057,1185 3.073,1186 2.914,1187 4.268,1188 2.908,1189 2.822,1190 2.87,1191 2.753,1192 2.746,1193 3.687,1194 2.724,1195 2.471,1196 2.554,1197 2.472,1198 2.368,1199 3.233,1200 2.304,1201 2.423,1202 2.523,1203 2.277,1204 2.196,1205 3.227,1206 2.183,1207 2.116,1208 2.18,1209 2.146,1210 2.035,1211 2.928,1212 1.98,1213 0.253,1214 0.18,1215 0.363,1216 0.225,1217 0.17,1218 4.562,1219 0.25,1220 3.244,1222 6.526,1223 0.57,1224 4.044,1225 0.167,1226 3.063,1227 4.502,1229 10.265,1230 3.004,1231 1.928,1232 1.908,1233 2.017,1234 1.99,1235 1.126,1236 2,1237 1.635,1238 1.613,1239 1.713,1240 1.763,1241 0.73,1242 1.739,1243 1.355,1244 1.333,1245 1.475,1246 1.557,1247 0.553,1248 1.548,1249 1.284,1250 1.256,1251 1.251,1252 1.299,1253 0.462,1254 1.401,1255 0.972,1256 0.92,1257 1.125,1258 1.116,1259 0.194,1260 1.131,1261 0.756,1262 0.694,1263 1.038,1264 0.963,1265 0.02,1266 1.002,1267 0.561,1268 0.496,1269 0.741,1270 0.702,1272 0.729,1275 0.425,1276 0.193,1278 0.287,1279 3.611,1281 4.89,1282 3.045,1283 6.358,1284 5.283,1285 7.913,1286 7.273,1287 9.518,1304 6.217,1305 17.81,1306 35.933,1307 74.778,1308 94.429,1309 108.039,1310 110.039,1311 110.039,1312 13.296,1313 6.205,1314 28.68,1315 56.92,1316 16,1317 11.858,1318 4.087,1319 3.392,1320 21.929,1321 42,1322 34,1323 0.259,1324 114.591,1325 183.07,1326 271.362,1327 3527,1329 10.795,1330 0.675,1331 0.576,1332 11.148,1333 9.213,1334 7.933,1335 0.441,1336 0.325,1337 4.959,1338 7.302,1339 4.754,1340 3.964,1341 8.433,1342 5.849,1343 6.774,1344 0.282,1345 0.173,1346 7.272,1347 4.158,1348 5.902,1349 0.184,1350 0.094,1351 6.435,1352 2.998,1353 4.965,1354 0.121,1355 0.052,1356 5.542,1357 2.112,1358 3.371,1359 0.08,1360 0.024,1361 3.616,1362 1.012,1363 0.397,1364 53.504,1365 0.28,1366 16.305,1367 0.724,1368 84,1369 224.838,1370 106.383,1371 250.55,1372 350.58,1373 236,1374 98,1375 251.508,1376 117.112,1377 272.393,1378 391.88,1379 256,1380 4}
{0 CHEMBL1631901,1 1.333,2 9.316,3 3.89,4 15.132,5 75.138,6 8.689,7 0.762,8 3.448,9 3.548,10 3.163,11 3.159,12 4.749,13 3.142,14 3.855,15 3.973,16 3.456,17 3.499,18 5.06,19 3.465,20 4.033,21 4.207,22 3.417,23 3.529,24 5.246,25 3.464,26 3.913,27 4.117,28 3.155,29 3.296,30 5.151,31 3.221,32 3.608,33 3.818,34 2.897,35 3.025,36 4.779,37 2.959,38 3.44,39 3.599,40 2.938,41 2.981,42 4.672,43 2.942,44 3.556,45 3.738,46 2.9,47 3.03,48 4.706,49 2.965,50 3.535,51 3.741,52 2.713,53 2.946,54 4.577,55 2.843,56 0.037,57 0.364,58 3.562,59 1.868,60 6.243,61 2.196,62 0.012,63 0.537,64 5.753,65 3.027,66 6.509,67 3.613,68 0.029,69 0.663,70 8.928,71 4.246,72 14.074,73 5.406,74 0.071,75 0.637,76 8.646,77 3.62,78 22.417,79 4.313,80 0.064,81 0.465,82 6.737,83 2.74,84 18.886,85 3.322,86 0.027,87 0.374,88 4.606,89 2.093,90 9.142,91 2.5,92 0.045,93 0.429,94 5.581,95 2.437,96 10.24,97 2.888,98 0.033,99 0.405,100 6.087,101 2.748,102 8.817,103 3.547,104 3,105 28,106 0.247,107 0.547,108 0.666,109 0.799,110 0.839,111 0.839,112 3.009,113 0.831,114 -4.26,115 -4.2,116 -3.97,119 57.1,141 2,142 8,143 3,146 1,152 1,158 1,168 1,172 12,175 3,180 2,183 14,187 5,192 3,195 11,199 4,204 3,207 7,212 2,217 2,220 7,224 3,229 2,232 7,237 3,242 1,245 8,250 1,258 7,263 1,266 1,271 4,275 400,276 13.301,277 13.301,278 13.301,279 13.301,280 13.301,281 11.145,282 7.714,283 7.955,284 13.381,285 10.309,286 10.309,287 10.309,288 10.309,289 10.309,290 6.995,291 4.083,292 3.697,293 10.438,294 3.474,295 1.857,296 1.214,297 0.5,298 0.286,299 0.286,300 3.695,304 1,305 1,306 386,307 2.345,310 39.502,311 107.754,314 74.241,318 1.385,319 10.953,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 39.5,331 177,332 4.562,333 4.057,334 6.526,335 4.044,336 3.063,337 4.502,338 2.035,339 10.265,340 3.004,341 4.169,342 3.244,343 5.485,344 3.646,345 2.647,346 3.757,348 7.346,349 2.643,350 3.903,351 2.897,352 5.169,353 3.21,354 2.216,355 3.168,357 6.343,358 2.202,359 3.475,360 2.381,361 5.054,362 2.948,363 1.97,364 2.754,366 5.882,367 1.926,368 3.116,369 2.233,370 4.185,371 2.528,372 1.546,373 2.319,375 3.763,376 1.516,377 3.045,378 1.546,379 3.594,380 2.203,381 1.209,382 1.875,384 2.818,385 1.201,386 2.849,387 1.287,388 3.414,389 2,390 1,391 1.5,393 2.275,394 1,395 2.574,396 1,397 3.293,398 1.833,399 0.85,400 1.441,402 1.914,403 0.835,404 2.5,405 0.917,406 3.018,407 1.553,408 0.582,409 0.997,411 1.16,412 0.564,413 2.021,414 0.653,415 2.678,416 1.292,417 0.325,418 0.593,420 0.583,421 0.314,422 1.107,423 0.121,424 2.184,425 0.569,426 -0.41,427 -0.581,428 -0.83,429 -0.4,430 0.724,431 -0.32,432 2,433 0.195,434 -0.794,435 -1.234,436 -1.823,437 -0.784,438 0.637,439 -0.831,440 2,441 0.131,442 -0.862,443 -1.317,445 -2.099,446 -0.855,447 0.5,448 -0.914,449 2,451 -1,452 -1.5,454 -3,455 -1,456 0.13,457 -1,458 1.383,459 -0.258,460 -1.232,461 -1.708,463 -3.373,464 -1.198,465 9.2,466 0.484,467 0.307,468 0.016,469 30.25,470 1.592,471 19,472 1,473 11.25,474 0.592,475 9.411,476 0.495,477 17.2,478 0.614,479 18.02,480 0.948,481 6.09,482 0.321,483 3.275,484 0.172,485 0.043,487 0.272,493 0.636,494 0.73,495 0.653,496 0.703,497 0.465,498 0.685,499 0.778,500 1.047,501 0.835,502 0.977,503 0.498,504 0.927,505 0.75,506 1.109,507 0.945,508 1.103,509 0.592,510 1.059,511 1.369,512 1.104,513 1.204,514 1.093,515 1.306,516 1.122,517 1.321,518 0.851,519 1.038,520 0.839,521 1.338,522 0.891,523 1.079,524 1.046,525 0.891,526 0.923,527 0.518,528 0.893,529 1.248,530 0.985,531 1.135,532 1.012,533 0.578,534 1.05,535 0.838,536 1.018,537 1.146,538 1.167,539 0.633,540 1.187,541 3,542 0.045,543 2,544 0.792,545 0.564,546 0.354,547 0.212,548 0.125,549 0.095,550 0.087,551 3652,552 10744,553 2.145,554 32.1,556 8,559 1,564 1.596,565 2.073,566 3.198,567 -0.353,569 1,571 1,573 37.322,574 1.333,575 2.95,576 3.593,577 4.307,578 4.522,579 4.522,580 2.695,581 3.787,582 4.221,583 3.308,584 565.666,585 7.152,586 5643.28,588 1,590 1,591 134.606,592 1.105,593 4.207,594 0.143,595 0.007,596 0.071,597 0.03,598 0.03,599 0.024,600 0.013,601 0.008,602 0.008,603 0.01,604 0.345,605 0.83,606 1,607 0.671,608 83.619,609 0.148,610 0.197,611 0.028,612 0.09,613 0.053,614 0.055,615 -0.05,616 -0.151,617 -0.091,618 -0.139,619 -0.047,620 -0.124,621 0.032,622 -0.208,623 -0.011,624 -0.14,625 0.075,626 -0.094,627 -0.224,628 -0.087,629 -0.19,630 -0.119,631 -0.208,632 -0.143,633 -0.215,634 0.162,635 0.002,636 0.164,637 -0.236,638 0.121,639 -0.1,640 -0.075,641 -0.011,642 -0.021,643 0.099,644 -0.009,645 -0.233,646 -0.002,647 -0.192,648 -0.068,649 0.03,650 -0.113,651 -0.047,652 -0.114,653 -0.106,654 -0.129,655 -0.009,656 -0.125,657 1.03,658 2.728,659 0.789,660 12.798,661 0.998,662 1.098,663 3.03,664 9.183,665 0.761,666 3.091,667 3.367,668 3.638,669 3.85,670 4.007,671 3.97,672 4.007,673 4.078,674 4.043,675 4.111,676 5.386,677 0.737,678 243.28,679 3.091,680 4.595,681 5.434,682 6.286,683 7.14,684 7.998,685 8.857,686 9.718,687 10.58,688 11.444,689 10.7,697 1,698 1,699 1,703 2,704 8,705 1,706 1,709 3,711 16,713 1,731 28,733 18,734 2,735 21,737 30,738 16,739 13,740 4,741 8,746 3,747 4,760 3,761 13,778 1,781 9,782 2,783 1,784 3,790 3,794 0.667,803 1,811 1,812 2,815 1,819 2,840 2,848 19,861 2,866 1,868 3,877 9.167,878 5.317,879 4.306,880 1.643,881 4.322,882 1.657,883 1.036,884 2.828,885 10.897,886 3.526,887 4.123,888 4.823,889 5.438,890 5.973,891 6.349,892 6.815,893 7.22,894 7.559,895 8.045,896 1,897 26,898 6.907,900 2.873,901 7.781,902 13.045,904 10.416,905 2.281,906 43.333,907 0.001,910 94.169,911 140.318,912 64.385,917 140.318,918 94.169,919 64.385,922 75.81,923 33.265,924 58.811,925 36.818,926 94.169,928 94.169,929 204.703,933 94.169,937 49.867,938 104.113,939 50.724,941 94.169,942 64.385,943 140.318,946 94.169,947 13.845,948 75.81,949 67.326,950 47.722,951 94.169,952 64.385,953 140.318,955 0.567,956 0.338,957 0.179,958 0.092,959 14,960 5,963 1,964 1.133,965 3.305,966 134.994,967 0.133,968 15,969 76.711,974 11.233,975 4.783,976 2.239,977 1.926,978 47.722,979 15.032,980 4.188,981 2.931,984 2.315,986 16.663,987 298.872,988 33,999 27.956,1000 30.741,1001 0.277,1002 0.614,1003 0.747,1004 0.896,1005 0.941,1006 0.941,1007 4.736,1008 0.85,1009 5.38,1010 2.275,1011 4.043,1012 4.808,1013 2.228,1014 6.138,1015 4.018,1016 5.976,1017 0.582,1018 6.901,1019 1.914,1020 3.434,1021 4.407,1023 6.952,1024 3.395,1025 7.288,1026 0.325,1027 8.522,1028 1.16,1029 5.58,1030 7.097,1031 3.563,1032 10.019,1033 5.53,1034 8.637,1035 -0.41,1036 10.206,1037 0.583,1038 5.861,1039 7.651,1041 11.728,1042 5.789,1043 10.017,1044 -0.794,1045 11.932,1046 -0.83,1047 7.403,1048 9.672,1049 4.962,1050 14.291,1051 7.325,1052 11.421,1053 -0.862,1054 13.688,1055 -1.823,1056 8.107,1057 10.695,1059 16.367,1060 8.003,1061 12.843,1062 -1,1063 15.466,1064 -2.099,1065 9.394,1066 12.423,1067 6.378,1068 18.771,1069 9.281,1070 3.063,1071 -1.232,1072 17.262,1073 -3,1074 10.307,1075 13.687,1077 20.998,1078 10.167,1079 2.647,1080 10.265,1081 19.072,1082 -3.373,1083 11.484,1084 15.281,1085 7.797,1086 23.351,1087 11.332,1088 2.216,1089 7.346,1090 20.893,1091 4.502,1092 12.499,1093 16.666,1095 25.638,1096 12.321,1097 1.97,1098 6.343,1099 22.723,1100 3.757,1101 13.632,1102 18.203,1103 9.217,1104 27.974,1105 13.438,1106 1.546,1107 5.882,1108 24.562,1109 3.168,1110 14.696,1111 19.646,1113 30.285,1114 14.478,1115 1.209,1116 3.763,1117 26.407,1118 2.754,1119 15.812,1120 21.159,1121 10.638,1122 32.616,1123 15.576,1124 1,1125 2.818,1126 28.257,1127 2.319,1128 16.9,1129 22.632,1131 34.938,1132 16.641,1133 3515,1134 6117,1135 14.504,1136 21.301,1137 32.998,1138 33.714,1139 31.499,1140 30.801,1141 30.814,1142 45.809,1143 4.069,1144 84.699,1145 30.406,1146 5.074,1147 6.057,1148 6.208,1149 5.044,1150 5.063,1151 7.502,1152 4.069,1153 16.922,1154 5.004,1155 5.628,1156 1.571,1157 1.605,1158 1.5,1159 1.467,1160 1.467,1161 2.181,1162 0.194,1163 4.033,1164 1.448,1165 4.102,1166 4.14,1167 4.072,1168 4.011,1169 6.82,1170 4.02,1171 3.91,1172 3.935,1173 3.862,1174 3.86,1175 5.13,1176 3.858,1177 3.45,1178 3.5,1179 3.393,1180 3.356,1181 4.796,1182 3.36,1183 3.233,1184 3.283,1185 3.193,1186 3.075,1187 4.45,1188 3.097,1189 2.954,1190 3.009,1191 2.894,1192 2.814,1193 4.305,1194 2.823,1195 2.854,1196 2.925,1197 2.694,1198 2.735,1199 3.699,1200 2.715,1201 2.793,1202 2.846,1203 2.687,1204 2.674,1205 3.674,1206 2.678,1207 2.429,1208 2.526,1209 2.283,1210 2.206,1211 3.325,1212 2.217,1213 0.217,1214 0.193,1215 0.311,1216 0.193,1217 0.146,1218 4.562,1219 0.214,1220 4.057,1221 0.097,1222 6.526,1223 0.489,1224 4.044,1225 0.143,1226 3.063,1227 4.502,1228 2.035,1229 10.265,1230 3.004,1231 1.95,1232 1.931,1233 2.032,1234 2.007,1235 1.129,1236 2.017,1237 1.894,1238 1.871,1239 1.992,1240 1.965,1241 1.063,1242 1.975,1243 1.479,1244 1.439,1245 1.554,1246 1.711,1247 0.502,1248 1.665,1249 1.149,1250 1.099,1251 1.239,1252 1.33,1253 0.218,1254 1.304,1255 0.965,1256 0.914,1257 1.181,1258 1.129,1259 0.202,1260 1.125,1261 0.886,1262 0.821,1263 1.109,1264 1.062,1265 0.148,1266 1.107,1267 0.77,1268 0.716,1269 1.037,1270 0.965,1271 0.01,1272 1.003,1273 0.652,1274 0.573,1275 0.803,1276 0.85,1278 0.847,1279 3.761,1281 5.043,1282 2.398,1283 6.529,1284 4.727,1285 8.101,1286 6.823,1287 9.716,1303 8.728,1304 8.214,1305 20.645,1306 37.322,1307 82.606,1308 100.606,1309 120.606,1310 126.606,1311 126.606,1312 20.179,1313 6.575,1314 52.47,1315 52.47,1316 17,1317 11.992,1318 4.248,1319 3.7,1320 28.055,1321 62,1322 63,1323 0.226,1324 130.249,1325 219.54,1326 309.568,1327 5843,1329 13.079,1330 0.688,1331 0.527,1332 13.079,1333 10.013,1334 9.365,1335 0.446,1336 0.277,1337 5.782,1338 9.19,1339 5.647,1340 4.72,1341 9.365,1342 5.82,1343 7.918,1344 0.283,1345 0.145,1346 7.918,1347 4.055,1348 6.971,1349 0.188,1350 0.076,1351 6.971,1352 2.807,1353 5.594,1354 0.122,1355 0.039,1356 5.594,1357 1.817,1358 4.365,1359 0.081,1360 0.021,1361 4.365,1362 1.152,1363 0.357,1364 57.449,1365 0.263,1366 19.299,1367 0.606,1368 98,1369 275.623,1370 102.135,1371 285.144,1372 395.05,1373 266,1374 114,1375 295.86,1376 118.746,1377 307.174,1378 439.15,1379 289,1380 4}
{0 CHEMBL1631902,1 1.44,2 7.882,3 1.769,4 3.13,5 65.04,6 8.81,7 0.842,8 3.367,9 3.479,10 3.093,11 2.998,12 4.638,13 3.004,14 3.772,15 3.912,16 3.376,17 3.315,18 5.006,19 3.309,20 3.863,21 4.05,22 3.276,23 3.296,24 5.051,25 3.255,26 3.671,27 3.866,28 2.988,29 3.067,30 4.846,31 3.009,32 3.405,33 3.606,34 2.767,35 2.824,36 4.539,37 2.775,38 3.28,39 3.433,40 2.826,41 2.798,42 4.439,43 2.78,44 3.428,45 3.607,46 2.809,47 2.835,48 4.573,49 2.793,50 3.439,51 3.679,52 2.529,53 2.665,54 4.472,55 2.573,56 0.044,57 0.397,58 3.224,59 1.689,60 4.546,61 1.861,62 0.079,63 0.599,64 5.492,65 2.572,66 9.445,67 2.793,68 0.097,69 0.632,70 7.614,71 3.304,72 14.246,73 3.995,74 0.067,75 0.51,76 6.432,77 2.77,78 13.258,79 3.343,80 0.057,81 0.385,82 5.233,83 2.171,84 11.015,85 2.688,86 0.035,87 0.351,88 3.629,89 1.675,90 5.78,91 1.914,92 0.074,93 0.417,94 4.462,95 1.919,96 7.655,97 2.155,98 0.091,99 0.405,100 5.994,101 2.303,102 9.381,103 2.901,105 25,106 0.276,107 0.612,108 0.742,109 0.809,110 0.83,111 0.83,112 2.908,113 0.812,114 -2.91,115 -2.92,116 -2.82,119 52,141 2,142 4,143 2,145 3,146 1,161 1,168 1,172 6,175 6,178 1,180 1,183 6,186 1,187 4,192 2,195 4,199 4,204 2,207 3,212 4,217 1,220 4,224 1,229 2,232 3,236 1,237 3,245 2,250 1,253 1,262 1,263 1,275 298,276 11.983,277 11.983,278 11.983,279 11.983,280 11.983,281 9.891,282 4.389,283 7.37,284 12.191,285 9.415,286 9.415,287 9.415,288 9.415,289 9.415,290 6.351,291 1.739,292 3.523,293 9.725,294 3.204,295 1.456,296 0.78,297 0.43,298 0.32,299 0.32,300 3.594,304 1,305 1,306 296,307 2,310 32.594,311 91.39,314 61.529,318 1.093,319 9.293,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 36,331 134,332 4.561,333 3.243,334 6.526,335 4.034,336 3.063,337 4.502,339 10.265,340 2.976,341 4.098,342 2.878,343 5.357,344 3.511,345 2.518,346 3.604,348 6.997,349 2.5,350 3.589,351 2.285,352 5.104,353 2.96,354 2.011,355 2.912,357 5.94,358 1.907,359 3.152,360 1.63,361 4.187,362 2.521,363 1.546,364 2.32,366 3.771,367 1.504,368 3.045,369 1.546,370 3.65,371 2.439,372 1.5,373 2.251,375 3.159,376 1.405,377 2.756,378 1.267,379 3.573,380 2.153,381 1.187,382 1.766,384 2.777,385 1.144,386 2.562,387 1,388 3.247,389 1.984,390 1,391 1.5,393 2.136,394 0.983,395 2.5,396 0.844,397 3.212,398 1.749,399 0.774,400 1.283,402 1.774,403 0.753,404 2.018,405 0.465,406 2.928,407 1.35,408 0.383,409 0.629,411 0.895,412 0.369,413 0.865,414 -0.091,415 2.2,416 0.482,417 -0.492,418 -0.629,420 -1.163,421 -0.479,422 0.701,423 -0.796,424 2,425 0.145,426 -0.827,427 -1.25,428 -1.926,429 -0.803,430 0.63,431 -0.855,432 2,433 0.068,434 -0.9,435 -1.408,436 -2.126,437 -0.867,438 0.5,439 -1,440 1.555,441 -0.049,442 -1,443 -1.5,445 -2.347,446 -0.946,447 0.109,448 -1.135,449 1.373,450 -0.332,451 -1.293,452 -1.797,454 -3.559,455 -1.242,456 -0.213,457 -1.406,458 1.125,459 -0.647,460 -1.627,461 -2.404,463 -4.525,464 -1.594,465 8.1,466 0.476,467 0.239,468 0.014,469 27,470 1.588,471 16,472 0.941,473 11,474 0.647,475 7.917,476 0.466,477 15.9,478 0.636,479 15.196,480 0.894,481 5.537,482 0.326,483 2.896,484 0.17,487 0.247,493 0.779,494 0.996,495 0.635,496 0.812,497 0.729,498 0.725,499 1.053,500 1.05,501 0.87,502 0.91,503 1.02,504 0.872,505 0.914,506 0.999,507 0.947,508 0.996,509 0.911,510 0.981,511 1.035,512 1.098,513 1.093,514 1.121,515 1.119,516 1.118,517 0.972,518 0.945,519 0.919,520 0.913,521 1.032,522 0.908,523 1.032,524 1.142,525 0.877,526 0.985,527 0.939,528 0.924,529 1.158,530 1.1,531 1.221,532 1.168,533 1.014,534 1.196,535 1.05,536 1.018,537 1.245,538 1.178,539 1.025,540 1.228,541 2,543 1.556,544 0.729,545 0.333,546 0.236,547 0.172,548 0.069,549 0.037,550 0.023,551 2678,552 7759,553 2.2,554 32,556 4,558 3,559 1,564 1.564,565 2.17,566 2.998,567 -0.256,571 1,573 35.991,574 1.44,575 3.188,576 3.863,577 4.214,578 4.324,579 4.324,580 2.419,581 3.735,582 4.063,583 3.08,584 418.937,585 6.842,586 3811.22,588 1,590 1,591 116.096,592 0.787,593 4.063,594 0.105,596 0.062,597 0.033,598 0.021,599 0.018,600 0.012,601 0.005,602 0.004,603 0.006,604 0.267,605 0.83,606 1,608 70.817,609 0.078,610 0.016,611 0.044,612 0.01,613 -0.014,614 0.019,615 -0.095,616 -0.031,617 -0.11,618 -0.065,619 -0.165,620 -0.084,621 -0.001,622 -0.046,623 -0.019,624 -0.045,625 0.059,626 -0.037,627 -0.14,628 -0.166,629 -0.131,630 -0.151,631 -0.123,632 -0.142,633 -0.093,634 -0.02,635 0.074,636 0.084,637 -0.025,638 0.101,639 -0.141,640 -0.169,641 -0.052,642 -0.091,643 -0.111,644 -0.065,645 -0.108,646 -0.096,647 -0.331,648 -0.272,649 -0.147,650 -0.323,651 0.015,652 -0.077,653 -0.125,654 -0.154,655 -0.012,656 -0.16,657 0.954,658 1.161,659 0.882,660 10.208,661 1.007,662 1.113,663 1.681,664 2.826,665 0.742,666 2.996,667 3.258,668 3.526,669 3.761,670 3.892,671 3.807,672 3.892,673 3.97,674 3.85,675 3.85,676 4.727,677 0.726,678 220.25,679 2.996,680 4.489,681 5.323,682 6.172,683 7.022,684 7.879,685 8.736,686 9.597,687 10.459,688 11.323,689 16,697 1,699 3,703 2,704 7,705 3,706 1,709 2,711 16,731 25,733 17,735 19,737 27,738 13,739 11,746 3,747 4,760 2,761 11,778 1,781 8,782 3,783 1,784 4,790 4,794 0.667,803 1,805 2,811 1,812 2,815 1,819 2,840 2,848 17,861 1,868 2,877 7.833,878 4.683,879 3.806,880 1.419,881 4.069,882 1.642,883 1.045,884 2.383,885 10.411,886 3.401,887 4.021,888 4.708,889 5.346,890 5.873,891 6.186,892 6.666,893 7.127,894 7.377,895 7.798,896 1,897 22,898 6.179,900 2.557,901 7.686,902 11.678,904 9.197,905 2.186,906 37.167,907 0.002,910 82.398,911 109.339,912 66.897,917 109.339,918 82.398,919 66.897,922 37.905,923 87.263,924 52.321,925 34.061,926 47.084,928 82.398,929 176.236,933 82.398,937 48.277,938 43.664,939 84.295,941 82.398,942 66.897,943 109.339,946 82.398,947 10.231,948 65.047,949 50.724,950 50.234,951 82.398,952 66.897,953 109.339,955 0.563,956 0.329,957 0.183,958 0.093,959 13,960 4,963 1,964 1.133,965 3.135,966 116.508,967 0.133,968 15,969 65.487,974 9.713,975 4.171,976 1.922,977 1.695,978 50.234,979 12.696,980 12.235,981 2.848,984 1.63,986 16.663,987 258.634,988 29,999 25.174,1000 27.824,1001 0.31,1002 0.686,1003 0.832,1004 0.907,1005 0.931,1006 0.931,1007 4.585,1008 0.774,1009 5.252,1010 2.136,1011 3.932,1012 4.705,1014 5.999,1015 3.872,1016 5.808,1017 0.383,1018 6.758,1019 1.774,1020 3.219,1021 4.227,1023 6.783,1024 3.147,1025 7.11,1026 -0.492,1027 8.372,1028 0.895,1029 5.442,1030 6.987,1032 9.897,1033 5.334,1034 8.455,1035 -0.827,1036 10.055,1037 -1.163,1038 5.673,1039 7.504,1041 11.633,1042 5.551,1043 9.836,1044 -0.9,1045 11.787,1046 -1.926,1047 7.266,1048 9.571,1050 14.215,1051 7.111,1052 11.243,1053 -1,1054 13.553,1055 -2.126,1056 7.958,1057 10.586,1059 16.315,1060 7.782,1061 12.671,1062 -1.293,1063 15.344,1064 -2.347,1065 9.272,1066 12.339,1068 18.73,1069 9.066,1070 3.063,1071 -1.627,1072 17.153,1073 -3.559,1074 10.188,1075 13.605,1077 20.971,1078 9.955,1079 2.518,1080 10.265,1081 18.976,1082 -4.525,1083 11.382,1084 15.215,1086 23.33,1087 11.119,1088 2.011,1089 6.997,1090 20.81,1091 4.502,1092 12.403,1093 16.605,1095 25.623,1096 12.111,1097 1.546,1098 5.94,1099 22.652,1100 3.604,1101 13.548,1102 18.152,1104 27.963,1105 13.225,1106 1.5,1107 3.771,1108 24.501,1109 2.912,1110 14.619,1111 19.601,1113 30.278,1114 14.266,1115 1.187,1116 3.159,1117 26.355,1118 2.32,1119 15.744,1120 21.121,1122 32.611,1123 15.36,1124 1,1125 2.777,1126 28.213,1127 2.251,1128 16.838,1129 22.598,1131 34.934,1132 16.424,1133 2547,1134 4435,1135 13.405,1136 18.546,1137 29.089,1138 28.136,1139 28.2,1140 27.971,1141 27.964,1142 41.532,1144 75.428,1145 27.083,1146 5.061,1147 5.243,1148 6.328,1149 5.074,1150 5.063,1151 7.502,1153 16.922,1154 4.926,1156 1.531,1157 1.481,1158 1.484,1159 1.472,1160 1.472,1161 2.186,1163 3.97,1164 1.425,1165 4.087,1166 4.133,1167 4.062,1168 3.961,1169 5.182,1170 3.979,1171 3.855,1172 3.894,1173 3.802,1174 3.761,1175 4.935,1176 3.767,1177 3.38,1178 3.439,1179 3.315,1180 3.247,1181 4.604,1182 3.257,1183 3.11,1184 3.164,1185 3.054,1186 2.937,1187 4.37,1188 2.959,1189 2.854,1190 2.925,1191 2.695,1192 2.735,1193 3.858,1194 2.715,1195 2.779,1196 2.849,1197 2.687,1198 2.583,1199 3.674,1200 2.603,1201 2.442,1202 2.518,1203 2.335,1204 2.269,1205 3.531,1206 2.278,1207 2.215,1208 2.319,1209 2.112,1210 1.887,1211 3.232,1212 1.937,1213 0.24,1214 0.171,1215 0.343,1216 0.212,1217 0.161,1218 4.561,1219 0.237,1220 3.243,1222 6.526,1223 0.54,1224 4.034,1225 0.157,1226 3.063,1227 4.502,1229 10.265,1230 2.976,1231 1.897,1232 1.872,1233 1.974,1234 2,1235 1.036,1236 1.993,1237 1.821,1238 1.786,1239 1.922,1240 1.949,1241 0.938,1242 1.944,1243 1.384,1244 1.333,1245 1.448,1246 1.649,1247 0.332,1248 1.596,1249 1.079,1250 1.004,1251 1.252,1252 1.276,1253 0.238,1254 1.278,1255 0.886,1256 0.821,1257 1.181,1258 1.062,1259 0.218,1260 1.107,1261 0.827,1262 0.783,1263 0.994,1264 0.978,1266 0.986,1267 0.513,1268 0.425,1269 0.797,1270 0.794,1272 0.801,1273 0.271,1274 0.191,1275 0.546,1276 0.506,1278 0.524,1279 3.664,1281 4.934,1282 2.398,1283 6.412,1284 4.727,1285 7.978,1286 6.823,1287 9.587,1304 6.063,1305 18.139,1306 35.991,1307 79.69,1308 96.587,1309 105.342,1310 108.096,1311 108.096,1312 14.363,1313 6.342,1314 54.46,1315 54.46,1316 17,1317 11.871,1318 4.17,1319 3.459,1320 23.871,1321 48,1322 42,1323 0.247,1324 114.121,1325 183.92,1326 270.216,1327 4315,1329 11.502,1330 0.677,1331 0.523,1332 11.502,1333 8.883,1334 8.433,1335 0.444,1336 0.271,1337 5.081,1338 8.156,1339 4.986,1340 4.163,1341 8.433,1342 5.145,1343 7.127,1344 0.285,1345 0.138,1346 7.127,1347 3.458,1348 6.152,1349 0.186,1350 0.071,1351 6.152,1352 2.342,1353 5.142,1354 0.122,1355 0.036,1356 5.142,1357 1.516,1358 3.983,1359 0.083,1360 0.019,1361 3.983,1362 0.909,1363 0.383,1364 52.458,1365 0.273,1366 17.31,1367 0.682,1368 88,1369 263.268,1370 94.605,1371 265.487,1372 372.12,1373 250,1374 102,1375 283.029,1376 109.272,1377 289.89,1378 417.09,1379 273,1380 5.516}
{0 CHEMBL1631903,1 1.44,2 7.882,3 1.906,4 3.631,5 63.597,6 8.81,7 0.842,8 3.367,9 3.479,10 3.093,11 2.998,12 4.638,13 3.004,14 3.772,15 3.912,16 3.376,17 3.315,18 5.005,19 3.309,20 3.86,21 4.043,22 3.281,23 3.293,24 5.059,25 3.251,26 3.677,27 3.886,28 2.985,29 3.042,30 4.846,31 2.993,32 3.377,33 3.559,34 2.771,35 2.829,36 4.503,37 2.783,38 3.353,39 3.527,40 2.843,41 2.816,42 4.504,43 2.79,44 3.46,45 3.66,46 2.815,47 2.808,48 4.609,49 2.77,50 3.345,51 3.577,52 2.502,53 2.617,54 4.429,55 2.541,56 0.044,57 0.397,58 3.224,59 1.689,60 4.546,61 1.861,62 0.079,63 0.599,64 5.492,65 2.572,66 9.642,67 2.793,68 0.079,69 0.627,70 7.442,71 3.369,72 13.326,73 4.152,74 0.09,75 0.52,76 6.897,77 2.705,78 15.503,79 3.206,80 0.049,81 0.378,82 4.562,83 2.004,84 8.343,85 2.388,86 0.062,87 0.382,88 4.296,89 1.882,90 6.962,91 2.247,92 0.084,93 0.431,94 5.177,95 2.05,96 9.493,97 2.389,98 0.094,99 0.374,100 5.29,101 1.972,102 10.085,103 2.388,105 25,106 0.276,107 0.612,108 0.763,109 0.861,110 0.891,111 0.891,112 2.908,113 0.812,114 -2.91,115 -2.92,116 -2.82,119 52,141 2,142 4,143 2,145 3,149 1,152 1,168 1,172 6,174 1,175 5,180 2,183 5,187 5,190 1,192 2,195 4,199 4,204 2,207 4,212 2,217 1,220 3,224 3,227 1,229 1,232 3,236 1,237 3,245 2,249 1,250 2,258 1,275 298,276 11.983,277 11.983,278 11.983,279 11.983,280 11.983,281 9.891,282 4.389,283 7.37,284 12.182,285 9.415,286 9.415,287 9.415,288 9.415,289 9.415,290 6.351,291 1.739,292 3.523,293 9.72,294 3.204,295 1.456,296 0.67,297 0.16,300 3.594,304 1,305 1,306 296,307 2,310 32.594,311 91.39,314 61.529,318 1.093,319 9.317,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 36,331 134,332 4.561,333 3.243,334 6.526,335 4.034,336 3.063,337 4.502,339 10.265,340 2.976,341 4.098,342 2.878,343 5.357,344 3.507,345 2.518,346 3.604,348 6.997,349 2.49,350 3.589,351 2.285,352 5.104,353 2.96,354 2.011,355 2.912,357 5.94,358 1.907,359 3.152,360 1.63,361 4.187,362 2.521,363 1.546,364 2.32,366 3.771,367 1.505,368 3.045,369 1.546,370 3.65,371 2.461,372 1.5,373 2.251,375 3.159,376 1.439,377 2.756,378 1.267,379 3.573,380 2.156,381 1.187,382 1.766,384 2.777,385 1.147,386 2.562,387 1,388 3.247,389 1.956,390 1,391 1.5,393 2.136,394 0.954,395 2.5,396 0.844,397 3.212,398 1.751,399 0.774,400 1.283,402 1.774,403 0.755,404 2.018,405 0.465,406 2.928,407 1.352,408 0.383,409 0.629,411 0.895,412 0.37,413 0.865,414 -0.091,415 2.2,416 0.476,417 -0.492,418 -0.629,420 -1.163,421 -0.475,422 0.701,423 -0.796,424 2,425 0.144,426 -0.827,427 -1.25,428 -1.926,429 -0.802,430 0.63,431 -0.855,432 2,433 0.062,434 -0.9,435 -1.408,436 -2.126,437 -0.861,438 0.5,439 -1,440 1.555,441 -0.026,442 -1,443 -1.5,445 -2.347,446 -0.974,447 0.109,448 -1.135,449 1.373,450 -0.337,451 -1.293,452 -1.797,454 -3.559,455 -1.235,456 -0.213,457 -1.406,458 1.125,459 -0.649,460 -1.627,461 -2.404,463 -4.525,464 -1.588,465 8.1,466 0.476,467 0.239,468 0.014,469 27,470 1.588,471 16,472 0.941,473 11,474 0.647,475 7.927,476 0.466,477 15.9,478 0.636,479 15.186,480 0.893,481 5.534,482 0.326,483 2.898,484 0.17,487 0.247,493 0.779,494 0.996,495 0.635,496 0.812,497 0.729,498 0.725,499 1.053,500 1.05,501 0.87,502 0.91,503 1.025,504 0.872,505 0.786,506 1.111,507 0.914,508 1.101,509 0.822,510 1.045,511 1.244,512 0.998,513 1.082,514 0.956,515 1.213,516 0.984,517 1.018,518 1.03,519 1.023,520 1.029,521 1.019,522 1.027,523 0.879,524 1.007,525 0.883,526 0.967,527 0.864,528 0.935,529 1.189,530 1.109,531 1.116,532 1.079,533 1.069,534 1.084,535 1.208,536 0.878,537 1.262,538 1.031,539 1.172,540 1.127,541 2,543 1.556,544 0.729,545 0.333,546 0.236,547 0.172,548 0.069,549 0.037,550 0.023,551 2678,552 7692,553 2.2,554 32,556 4,558 3,559 1,564 1.564,565 2.17,566 2.998,567 -0.256,571 1,573 35.991,574 1.44,575 3.188,576 3.974,577 4.484,578 4.644,579 4.644,580 2.419,581 3.735,582 4.063,583 3.08,584 418.937,585 6.842,586 3811.22,588 1,590 1,591 116.096,592 0.787,593 4.063,594 0.105,596 0.062,597 0.033,598 0.021,599 0.018,600 0.012,601 0.005,602 0.004,603 0.006,604 0.267,605 0.83,606 1,608 70.817,609 0.078,610 0.016,611 0.044,612 0.01,613 -0.014,614 0.019,615 -0.095,616 -0.031,617 -0.11,618 -0.065,619 -0.17,620 -0.084,621 0.083,622 -0.178,623 0.009,624 -0.147,625 0.13,626 -0.096,627 -0.228,628 -0.031,629 -0.082,630 0.015,631 -0.136,632 -0.004,633 -0.152,634 -0.09,635 -0.104,636 -0.074,637 -0.143,638 -0.079,639 0.08,640 -0.029,641 0.01,642 -0.046,643 -0.016,644 -0.033,645 -0.059,646 -0.102,647 -0.145,648 -0.154,649 -0.043,650 -0.161,651 -0.087,652 0.1,653 -0.18,654 -0.035,655 -0.08,656 -0.103,657 0.983,658 1.134,659 0.882,660 10.208,661 1.007,662 1.113,663 1.681,664 2.826,665 0.742,666 2.996,667 3.258,668 3.526,669 3.761,670 3.892,671 3.807,672 3.892,673 3.97,674 3.85,675 3.85,676 4.727,677 0.726,678 220.25,679 2.996,680 4.489,681 5.323,682 6.172,683 7.022,684 7.879,685 8.736,686 9.597,687 10.459,688 11.323,689 16,697 1,699 3,703 2,704 7,705 3,706 1,709 2,711 16,731 25,733 17,735 19,737 27,738 13,739 11,746 3,747 4,760 2,761 11,778 1,781 8,782 3,783 1,784 4,790 4,794 0.667,803 1,805 2,811 1,812 2,815 1,819 2,840 2,848 17,861 1,868 2,877 7.833,878 4.683,879 3.806,880 1.419,881 4.069,882 1.642,883 1.045,884 2.383,885 10.411,886 3.401,887 4.021,888 4.708,889 5.346,890 5.873,891 6.186,892 6.666,893 7.127,894 7.377,895 7.798,896 1,897 22,898 6.179,900 2.558,901 7.686,902 11.678,904 9.197,905 2.186,906 37.167,907 0.002,910 82.398,911 109.339,912 66.897,917 109.339,918 82.398,919 66.897,922 37.905,923 85.547,924 51.279,925 36.818,926 47.084,928 82.398,929 176.236,933 84.113,937 43.805,938 46.42,939 84.295,941 82.398,942 66.897,943 109.339,946 82.398,947 10.231,948 65.047,949 50.724,950 50.234,951 82.398,952 66.897,953 109.339,955 0.563,956 0.329,957 0.183,958 0.093,959 13,960 4,963 1,964 1.133,965 3.135,966 116.508,967 0.133,968 15,969 69.487,974 9.713,975 4.171,976 1.922,977 1.617,978 50.234,979 12.742,980 12.217,981 2.877,984 1.649,986 16.663,987 258.634,988 29,999 25.174,1000 27.824,1001 0.31,1002 0.686,1003 0.856,1004 0.966,1005 1,1006 1,1007 4.585,1008 0.774,1009 5.252,1010 2.136,1011 3.932,1012 4.705,1014 5.999,1015 3.872,1016 5.808,1017 0.383,1018 6.758,1019 1.774,1020 3.219,1021 4.227,1023 6.783,1024 3.147,1025 7.11,1026 -0.492,1027 8.372,1028 0.895,1029 5.442,1030 6.987,1032 9.897,1033 5.332,1034 8.455,1035 -0.827,1036 10.055,1037 -1.163,1038 5.673,1039 7.504,1041 11.633,1042 5.547,1043 9.836,1044 -0.9,1045 11.787,1046 -1.926,1047 7.266,1048 9.571,1050 14.215,1051 7.106,1052 11.243,1053 -1,1054 13.553,1055 -2.126,1056 7.958,1057 10.586,1059 16.315,1060 7.777,1061 12.671,1062 -1.293,1063 15.344,1064 -2.347,1065 9.272,1066 12.339,1068 18.73,1069 9.06,1070 3.063,1071 -1.627,1072 17.153,1073 -3.559,1074 10.188,1075 13.605,1077 20.971,1078 9.949,1079 2.518,1080 10.265,1081 18.976,1082 -4.525,1083 11.382,1084 15.215,1086 23.33,1087 11.113,1088 2.011,1089 6.997,1090 20.81,1091 4.502,1092 12.403,1093 16.605,1095 25.623,1096 12.106,1097 1.546,1098 5.94,1099 22.652,1100 3.604,1101 13.548,1102 18.152,1104 27.963,1105 13.22,1106 1.5,1107 3.771,1108 24.501,1109 2.912,1110 14.619,1111 19.601,1113 30.278,1114 14.261,1115 1.187,1116 3.159,1117 26.355,1118 2.32,1119 15.744,1120 21.121,1122 32.611,1123 15.355,1124 1,1125 2.777,1126 28.213,1127 2.251,1128 16.838,1129 22.598,1131 34.934,1132 16.42,1133 2547,1134 4419,1135 13.405,1136 18.546,1137 29.089,1138 28.136,1139 28.2,1140 27.967,1141 27.964,1142 41.532,1144 75.428,1145 27.087,1146 5.061,1147 5.243,1148 6.328,1149 5.074,1150 5.063,1151 7.502,1153 16.922,1154 4.931,1156 1.531,1157 1.481,1158 1.484,1159 1.472,1160 1.472,1161 2.186,1163 3.97,1164 1.426,1165 4.084,1166 4.129,1167 4.06,1168 3.96,1169 5.185,1170 3.978,1171 3.853,1172 3.893,1173 3.8,1174 3.758,1175 4.939,1176 3.763,1177 3.411,1178 3.473,1179 3.34,1180 3.276,1181 4.585,1182 3.284,1183 3.09,1184 3.136,1185 3.035,1186 2.957,1187 4.363,1188 2.968,1189 2.788,1190 2.863,1191 2.691,1192 2.604,1193 3.857,1194 2.617,1195 2.746,1196 2.829,1197 2.618,1198 2.532,1199 3.793,1200 2.546,1201 2.509,1202 2.573,1203 2.382,1204 2.383,1205 3.428,1206 2.377,1207 2.382,1208 2.487,1209 2.238,1210 2.077,1211 3.239,1212 2.109,1213 0.24,1214 0.171,1215 0.343,1216 0.212,1217 0.161,1218 4.561,1219 0.237,1220 3.243,1222 6.526,1223 0.54,1224 4.034,1225 0.157,1226 3.063,1227 4.502,1229 10.265,1230 2.976,1231 1.895,1232 1.87,1233 1.972,1234 1.989,1235 1.031,1236 1.986,1237 1.815,1238 1.78,1239 1.917,1240 1.939,1241 0.934,1242 1.934,1243 1.425,1244 1.371,1245 1.514,1246 1.699,1247 0.429,1248 1.647,1249 1.03,1250 0.96,1251 1.185,1252 1.223,1253 0.194,1254 1.222,1255 0.903,1256 0.861,1257 1.087,1258 1.031,1259 0.094,1260 1.058,1261 0.717,1262 0.637,1263 0.985,1264 0.965,1266 0.977,1267 0.572,1268 0.488,1269 0.876,1270 0.85,1272 0.864,1273 0.411,1274 0.332,1275 0.675,1276 0.609,1278 0.64,1279 3.664,1281 4.934,1282 2.398,1283 6.412,1284 4.727,1285 7.978,1286 6.823,1287 9.587,1304 6.064,1305 18.139,1306 35.991,1307 79.69,1308 99.342,1309 112.096,1310 116.096,1311 116.096,1312 14.414,1313 6.342,1314 54.46,1315 54.46,1316 17,1317 11.871,1318 4.17,1319 3.459,1320 23.871,1321 48,1322 42,1323 0.247,1324 114.121,1325 183.92,1326 270.216,1327 4315,1329 11.502,1330 0.677,1331 0.523,1332 11.502,1333 8.883,1334 8.433,1335 0.444,1336 0.271,1337 5.081,1338 8.16,1339 4.985,1340 4.165,1341 8.433,1342 5.145,1343 7.127,1344 0.285,1345 0.139,1346 7.127,1347 3.465,1348 6.152,1349 0.186,1350 0.07,1351 6.152,1352 2.323,1353 5.142,1354 0.122,1355 0.036,1356 5.142,1357 1.517,1358 3.983,1359 0.083,1360 0.019,1361 3.983,1362 0.911,1363 0.383,1364 52.458,1365 0.273,1366 17.31,1367 0.682,1368 88,1369 263.268,1370 94.605,1371 265.651,1372 372.18,1373 250,1374 102,1375 283.029,1376 109.438,1377 290.274,1378 417.71,1379 273,1380 5.046}
{0 CHEMBL1644553,1 1.481,2 11.875,3 4.852,4 23.544,5 122.146,6 7.581,7 0.667,8 4.133,9 4.24,10 3.734,11 3.703,12 5.218,13 3.689,14 4.657,15 4.813,16 4.052,17 4.06,18 5.711,19 4.03,20 4.874,21 5.078,22 4.08,23 4.167,24 5.852,25 4.104,26 4.857,27 5.079,28 4.003,29 4.115,30 5.806,31 4.041,32 4.836,33 5.055,34 4.082,35 4.138,36 5.832,37 4.077,38 4.814,39 4.999,40 4.111,41 4.203,42 5.801,43 4.145,44 4.915,45 5.112,46 4.12,47 4.265,48 5.913,49 4.189,50 4.992,51 5.211,52 4.016,53 4.259,54 5.924,55 4.142,56 0.008,57 0.797,58 10.781,59 5.005,60 7.605,61 6.341,62 0.235,63 1.311,64 20.844,65 8.053,66 25.098,67 10.14,68 0.338,69 1.591,70 27.916,71 10.202,72 34.996,73 13.569,74 0.261,75 1.57,76 27.888,77 10.073,78 33.783,79 13.742,80 0.429,81 1.541,82 27.387,83 9.981,84 39.931,85 13.715,86 0.181,87 1.55,88 24.75,89 9.584,90 24.7,91 12.828,92 0.319,93 1.704,94 27.878,95 10.49,96 35.084,97 14.235,98 0.278,99 1.717,100 31.575,101 12.808,102 40.559,103 17.472,105 48,106 0.24,107 0.52,108 0.693,109 0.827,110 0.854,111 0.854,112 3.503,113 0.896,114 -5.12,115 -5.02,116 -4.7,119 46.4,125 5,142 13,143 2,144 1,145 1,146 2,147 1,149 1,172 12,174 2,175 10,183 11,186 2,187 11,195 6,198 1,199 7,207 4,211 5,212 10,220 10,224 5,232 13,236 2,237 8,245 13,249 2,250 9,258 8,263 8,271 4,275 1952,276 22.499,277 22.499,278 22.499,279 22.499,280 22.499,281 19.727,282 17.999,283 13.833,284 23.058,285 17.88,286 17.88,287 17.88,288 17.88,289 17.88,290 13.769,291 24.174,292 6.689,293 18.781,294 4.326,295 2.596,296 1.531,297 0.707,298 0.536,299 0.536,300 4.219,304 1,305 1,306 844,307 2.449,311 522.551,318 1.836,319 20.287,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68,331 380,332 4.425,333 3.195,334 6.388,335 4.024,336 3.074,337 4.113,338 1.151,339 9.951,340 2.925,341 4.12,342 3.021,343 6.047,344 3.731,345 2.763,346 3.715,347 0.86,348 8.777,349 2.678,350 3.932,351 2.844,352 6.016,353 3.62,354 2.684,355 3.448,356 0.8,357 8.629,358 2.506,359 3.889,360 2.709,361 5.404,362 3.515,363 2.533,364 3.368,366 7.124,367 2.488,368 3.62,369 2.479,370 5.235,371 3.231,372 2.287,373 2.919,375 6.645,376 2.146,377 3.286,378 2.283,379 4.667,380 2.86,381 1.909,382 2.584,384 5.027,385 1.815,386 2.98,387 1.874,388 4.283,389 2.627,390 1.697,391 2.138,393 4.065,394 1.572,395 2.917,396 1.669,397 4.173,398 2.505,399 1.527,400 2.054,402 3.681,403 1.491,404 2.805,405 1.519,406 3.636,407 2.356,408 1.395,409 1.901,411 3.127,412 1.333,413 2.606,414 1.365,415 3.511,416 2.138,417 1.182,418 1.652,420 2.702,421 1.124,422 2.5,423 1.256,424 3.478,425 2,426 1,427 1.5,428 2.509,429 1,430 2.5,431 1.094,432 3.472,433 1.976,434 1,435 1.5,436 2.487,437 0.974,438 2.5,439 1,440 3.247,441 1.955,442 1,443 1.5,445 2.136,446 0.952,447 2.194,448 1,449 3.247,450 1.952,451 1,452 1.165,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.898,460 1,461 1,463 2.136,464 0.892,465 15.267,466 0.477,467 0.496,468 0.015,469 46.25,470 1.445,471 25,472 0.781,473 21.25,474 0.664,475 23.307,476 0.728,477 32.733,478 0.585,479 34.678,480 1.084,481 9.332,482 0.292,483 6.516,484 0.204,487 0.255,493 0.853,494 1.307,495 0.743,496 1.086,497 0.821,498 0.932,499 1.419,500 1.095,501 0.998,502 0.971,503 1.131,504 0.94,505 1.227,506 1.061,507 1.02,508 0.961,509 1.066,510 0.962,511 1.089,512 1.086,513 0.99,514 0.985,515 1.147,516 0.968,517 0.844,518 0.863,519 0.817,520 0.79,521 0.846,522 0.796,523 1.01,524 1.139,525 0.995,526 1.009,527 1.042,528 0.991,529 0.933,530 1.038,531 1.118,532 1.048,533 1.169,534 1.079,535 0.764,536 1.095,537 1.081,538 1.206,539 0.89,540 1.19,541 4.5,542 0.124,543 2.444,544 0.875,545 1.129,546 1.208,547 0.391,548 0.3,549 0.232,550 0.114,551 14998,552 36218,553 2.213,554 42.9,556 23,558 1,564 1.749,565 2.182,566 3.514,567 -0.805,573 82.961,574 1.481,575 3.211,576 4.277,577 5.1,578 5.272,579 5.272,580 2.921,581 3.914,582 4.968,583 3.702,584 1835.95,585 8.718,586 26921,588 1,591 325.212,592 0.811,593 4.975,594 0.125,595 0.005,596 0.051,597 0.018,598 0.026,599 0.025,600 0.008,601 0.006,602 0.005,603 0.003,604 0.272,605 0.17,606 0.88,608 167.691,609 0.006,610 -0.222,611 0.08,612 -0.102,613 -0.015,614 -0.019,615 -0.12,616 -0.023,617 -0.07,618 -0.023,619 -0.063,620 -0.042,621 -0.064,622 -0.026,623 -0.045,624 -0.009,625 -0.012,626 -0.025,627 -0.068,628 -0.054,629 -0.008,630 -0.033,631 -0.071,632 -0.015,633 0.185,634 0.173,635 0.164,636 0.167,637 0.21,638 0.16,639 -0.121,640 -0.068,641 -0.079,642 -0.053,643 -0.135,644 -0.056,645 -0.041,646 0.039,647 -0.19,648 -0.101,649 -0.186,650 -0.147,651 0.076,652 -0.135,653 -0.122,654 -0.206,655 0.018,656 -0.192,657 1.014,658 2.521,659 0.938,660 34.625,661 0.998,662 1.117,663 3.89,664 15.13,665 0.688,666 3.611,667 3.892,668 4.159,669 4.419,670 4.7,671 4.736,672 4.956,673 5.1,674 5.252,675 5.333,676 7.129,677 0.657,678 424.54,679 3.611,680 5.13,681 5.969,682 6.825,683 7.681,684 8.547,685 9.411,686 10.282,687 11.153,688 12.028,689 7.1,695 1,699 3,704 14,705 3,709 7,711 24,726 1,729 1,731 56,733 24,734 2,735 36,737 60,738 26,739 21,740 3,741 9,746 5,747 5,761 21,762 5,781 24,782 6,784 6,790 4,794 1,795 2,805 1,806 1,812 5,839 1,840 5,848 32,854 5,856 2,859 1,870 3.6,874 1,875 1,877 14.667,878 10.05,879 7.083,880 3.358,881 3.987,882 1.501,883 1.012,884 6.269,885 11.949,886 3.892,887 4.454,888 5.027,889 5.601,890 6.192,891 6.393,892 6.903,893 7.321,894 7.758,895 8.106,896 0.875,897 48,898 11.798,900 4.947,901 7.536,902 22.912,904 18.665,905 2.036,906 65.167,909 1,910 282.506,911 172.011,912 53.481,914 22,917 172.011,918 304.506,919 53.481,921 17.989,922 123.191,923 73.128,924 42.628,925 2.328,926 270.735,928 282.506,929 225.492,930 22,933 284.834,934 11,935 11,937 32.549,938 140.258,939 50.357,941 282.506,942 75.481,943 172.011,946 282.506,947 39.772,948 135.363,950 72.356,951 282.506,952 75.481,953 172.011,955 0.565,956 0.325,957 0.181,958 0.104,959 23,960 8,961 0.1,962 6,964 1,965 4.451,966 297.154,968 30,969 152,974 20.473,975 9.799,976 5.088,978 75.481,979 27.693,980 14.222,984 5.971,987 529.998,988 48,999 55.898,1000 62.564,1001 0.255,1002 0.553,1003 0.736,1004 0.878,1005 0.908,1006 0.908,1007 5.094,1008 1.527,1009 5.905,1010 4.065,1011 4.575,1012 5.142,1013 1.806,1014 6.655,1015 4.481,1016 6.26,1017 1.395,1018 7.413,1019 3.681,1020 3.892,1021 4.62,1022 0.325,1023 7.391,1024 3.754,1025 7.529,1026 1.182,1027 9.021,1028 3.127,1029 6.098,1030 7.26,1031 1.802,1032 10.505,1033 5.916,1034 8.833,1035 1,1036 10.694,1037 2.702,1038 6.293,1039 7.589,1040 0.268,1041 12.11,1042 6.061,1043 10.171,1044 1,1045 12.408,1046 2.509,1047 7.892,1048 9.645,1049 1.906,1050 14.687,1051 7.622,1052 11.533,1053 1,1054 14.15,1055 2.487,1056 8.52,1057 10.409,1058 0.188,1059 16.651,1060 8.196,1061 12.913,1062 1,1063 15.913,1064 2.136,1065 9.838,1066 12.17,1067 2.069,1068 19.031,1069 9.477,1070 3.074,1071 1,1072 17.69,1073 2.136,1074 10.69,1075 13.184,1076 0.125,1077 21.155,1078 10.274,1079 2.763,1080 9.951,1081 19.477,1082 2.136,1083 11.877,1084 14.782,1085 2.272,1086 23.461,1087 11.422,1088 2.684,1089 8.777,1090 21.272,1091 4.113,1092 12.845,1093 15.947,1094 0.082,1095 25.66,1096 12.336,1097 2.533,1098 8.629,1099 23.074,1100 3.715,1101 13.974,1102 17.453,1103 2.501,1104 27.941,1105 13.424,1106 2.287,1107 7.124,1108 24.88,1109 3.448,1110 15.004,1111 18.711,1112 0.054,1113 30.178,1114 14.4,1115 1.909,1116 6.645,1117 26.691,1118 3.368,1119 16.111,1120 20.166,1121 2.746,1122 32.451,1123 15.461,1124 1.697,1125 5.027,1126 28.505,1127 2.919,1128 17.174,1129 21.481,1130 0.035,1131 34.708,1132 16.471,1133 13813,1134 21622,1135 25.424,1136 38.546,1137 53.526,1138 53.798,1139 52.929,1140 53.299,1141 53.303,1142 70.538,1143 5.622,1144 145.067,1145 50.759,1146 5.425,1147 5.195,1148 6.19,1149 5.128,1150 5.074,1151 7.113,1152 2.302,1153 16.49,1154 4.925,1156 1.487,1157 1.494,1158 1.47,1159 1.481,1160 1.481,1161 1.959,1162 0.156,1163 4.03,1164 1.41,1165 4.033,1166 4.07,1167 3.995,1168 3.927,1169 5.052,1170 3.937,1171 3.907,1172 3.938,1173 3.841,1174 3.833,1175 4.863,1176 3.83,1177 3.843,1178 3.874,1179 3.781,1180 3.769,1181 4.785,1182 3.77,1183 3.777,1184 3.829,1185 3.687,1186 3.597,1187 4.689,1188 3.613,1189 3.567,1190 3.613,1191 3.483,1192 3.394,1193 4.596,1194 3.408,1195 3.225,1196 3.268,1197 3.102,1198 3.045,1199 4.259,1200 3.049,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.981,1206 2.91,1207 2.949,1208 2.997,1209 2.861,1210 2.859,1211 3.84,1212 2.854,1213 0.123,1214 0.089,1215 0.177,1216 0.112,1217 0.085,1218 4.425,1219 0.114,1220 3.195,1221 0.032,1222 6.388,1223 0.276,1224 4.024,1225 0.081,1226 3.074,1227 4.113,1228 1.151,1229 9.951,1230 2.925,1231 1.955,1232 1.927,1233 2.047,1234 2.085,1235 1.212,1236 2.07,1237 1.902,1238 1.872,1239 2.017,1240 2.001,1241 1.142,1242 2.01,1243 1.835,1244 1.805,1245 1.949,1246 1.932,1247 1.081,1248 1.94,1249 1.722,1250 1.67,1251 1.911,1252 1.93,1253 0.981,1254 1.929,1255 1.51,1256 1.465,1257 1.648,1258 1.696,1259 0.825,1260 1.685,1261 1.188,1262 1.142,1263 1.513,1264 1.414,1265 0.701,1266 1.429,1267 1.153,1268 1.064,1269 1.449,1270 1.376,1271 0.606,1272 1.424,1273 0.952,1274 0.91,1275 1.181,1276 1.124,1277 0.253,1278 1.12,1279 4.29,1281 5.58,1283 7.076,1285 8.657,1287 10.283,1295 3.511,1297 11.537,1300 2.233,1305 36.783,1306 82.961,1307 179.829,1308 239.497,1309 285.602,1310 295.212,1311 295.212,1312 39.13,1313 7.961,1314 60.37,1315 60.37,1316 30,1317 12.569,1318 4.644,1319 3.7,1320 45.486,1321 132,1322 156,1323 0.16,1324 223.245,1325 382.86,1326 536.478,1327 33049,1329 21.589,1330 0.675,1331 0.554,1332 21.589,1333 17.724,1334 15.848,1335 0.44,1336 0.299,1337 10.607,1338 15.284,1339 10.41,1340 8.587,1341 15.848,1342 10.754,1343 13.658,1344 0.285,1345 0.157,1346 13.658,1347 7.551,1348 11.647,1349 0.185,1350 0.084,1351 11.647,1352 5.316,1353 9.791,1354 0.119,1355 0.044,1356 9.791,1357 3.629,1358 8.408,1359 0.077,1360 0.023,1361 8.408,1362 2.509,1363 0.251,1364 98.845,1365 0.198,1366 29.916,1367 0.443,1368 168,1369 468.052,1370 182.775,1371 452.006,1372 633.13,1373 430,1374 195,1375 472.006,1376 210.776,1377 478.357,1378 700.74,1379 452,1380 5}
{0 CHEMBL1644554,1 1.481,2 11.875,3 4.424,4 19.569,5 122.518,6 7.581,7 0.667,8 4.133,9 4.24,10 3.734,11 3.703,12 5.219,13 3.689,14 4.657,15 4.814,16 4.05,17 4.064,18 5.706,19 4.034,20 4.872,21 5.071,22 4.077,23 4.177,24 5.843,25 4.111,26 4.872,27 5.096,28 4.006,29 4.126,30 5.821,31 4.048,32 4.841,33 5.061,34 4.079,35 4.142,36 5.824,37 4.08,38 4.816,39 5.002,40 4.111,41 4.212,42 5.807,43 4.152,44 4.913,45 5.102,46 4.12,47 4.286,48 5.898,49 4.2,50 5.029,51 5.26,52 4.018,53 4.258,54 5.935,55 4.141,56 0.008,57 0.797,58 10.781,59 5.005,60 7.938,61 6.341,62 0.244,63 1.31,64 20.874,65 8.054,66 25.086,67 10.128,68 0.3,69 1.578,70 27.638,71 10.295,72 32.554,73 13.669,74 0.29,75 1.591,76 28.417,77 10.325,78 36.24,79 14.091,80 0.38,81 1.536,82 27.57,83 10.029,84 38.146,85 13.836,86 0.247,87 1.562,88 24.829,89 9.634,90 26.27,91 12.818,92 0.247,93 1.674,94 27.351,95 11.197,96 31.337,97 15.132,98 0.202,99 1.781,100 33.413,101 13.184,102 39.503,103 18.085,105 48,106 0.24,107 0.529,108 0.713,109 0.831,110 0.854,111 0.854,112 3.503,113 0.895,114 -5.12,115 -5.02,116 -4.7,119 46.4,125 5,142 12,143 3,144 1,145 2,146 1,147 1,149 1,172 12,174 2,175 11,183 12,186 1,187 10,195 6,198 2,199 10,207 5,211 3,212 8,220 11,223 2,224 4,232 14,236 2,237 9,245 13,250 9,258 6,262 2,263 9,271 4,275 1952,276 22.499,277 22.499,278 22.499,279 22.499,280 22.499,281 19.727,282 17.999,283 13.833,284 23.06,285 17.88,286 17.88,287 17.88,288 17.88,289 17.88,290 13.769,291 24.174,292 6.689,293 18.774,294 4.326,295 2.541,296 1.411,297 0.679,298 0.536,299 0.536,300 4.219,304 1,305 1,306 844,307 2.449,311 522.551,318 1.836,319 19.998,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68,331 380,332 4.425,333 3.195,334 6.388,335 4.028,336 3.074,337 4.113,338 1.151,339 9.951,340 2.938,341 4.12,342 3.021,343 6.047,344 3.735,345 2.763,346 3.715,347 0.86,348 8.777,349 2.695,350 3.932,351 2.844,352 6.016,353 3.628,354 2.684,355 3.448,356 0.8,357 8.629,358 2.519,359 3.889,360 2.709,361 5.404,362 3.515,363 2.533,364 3.368,366 7.124,367 2.489,368 3.62,369 2.479,370 5.235,371 3.232,372 2.287,373 2.919,375 6.645,376 2.148,377 3.286,378 2.283,379 4.667,380 2.856,381 1.909,382 2.584,384 5.027,385 1.804,386 2.98,387 1.874,388 4.283,389 2.616,390 1.697,391 2.138,393 4.065,394 1.555,395 2.917,396 1.669,397 4.173,398 2.504,399 1.527,400 2.054,402 3.681,403 1.491,404 2.805,405 1.519,406 3.636,407 2.354,408 1.395,409 1.901,411 3.127,412 1.332,413 2.606,414 1.365,415 3.511,416 2.136,417 1.182,418 1.652,420 2.702,421 1.122,422 2.5,423 1.256,424 3.478,425 2,426 1,427 1.5,428 2.509,429 1,430 2.5,431 1.094,432 3.472,433 1.976,434 1,435 1.5,436 2.487,437 0.974,438 2.5,439 1,440 3.247,441 1.954,442 1,443 1.5,445 2.136,446 0.951,447 2.194,448 1,449 3.247,450 1.952,451 1,452 1.165,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.899,460 1,461 1,463 2.136,464 0.893,465 15.267,466 0.477,467 0.496,468 0.015,469 46.25,470 1.445,471 25,472 0.781,473 21.25,474 0.664,475 23.33,476 0.729,477 32.733,478 0.585,479 34.655,480 1.083,481 9.332,482 0.292,483 6.517,484 0.204,487 0.255,493 0.853,494 1.307,495 0.743,496 1.086,497 0.809,498 0.932,499 1.431,500 1.048,501 1.005,502 0.945,503 1.147,504 0.926,505 1.219,506 1.112,507 1.029,508 0.998,509 1.063,510 0.99,511 1.047,512 1.03,513 0.988,514 0.974,515 1.113,516 0.966,517 0.879,518 0.937,519 0.812,520 0.803,521 0.844,522 0.795,523 0.989,524 0.99,525 1.019,526 0.964,527 1.045,528 0.979,529 0.747,530 1.129,531 1.081,532 1.163,533 0.979,534 1.159,535 0.86,536 1.128,537 1.047,538 1.182,539 0.945,540 1.144,541 4.5,542 0.124,543 2.444,544 0.875,545 1.129,546 1.208,547 0.391,548 0.3,549 0.232,550 0.114,551 14998,552 36402,553 2.213,554 42.9,556 22,558 2,564 1.749,565 2.182,566 3.514,567 -0.805,569 1,573 82.961,574 1.481,575 3.266,576 4.396,577 5.129,578 5.272,579 5.272,580 2.921,581 3.914,582 4.968,583 3.702,584 1835.95,585 8.718,586 26921,588 1,591 325.212,592 0.811,593 4.975,594 0.125,595 0.005,596 0.051,597 0.018,598 0.026,599 0.025,600 0.008,601 0.006,602 0.005,603 0.003,604 0.272,605 0.17,606 0.88,608 167.691,609 0.006,610 -0.222,611 0.08,612 -0.102,613 -0.002,614 -0.019,615 -0.133,616 0.026,617 -0.076,618 0.003,619 -0.082,620 -0.028,621 -0.087,622 -0.087,623 -0.062,624 -0.038,625 -0.044,626 -0.048,627 -0.035,628 -0.001,629 -0.003,630 -0.021,631 -0.042,632 -0.01,633 0.129,634 0.089,635 0.169,636 0.159,637 0.19,638 0.166,639 -0.086,640 0.091,641 -0.104,642 -0.012,643 -0.137,644 -0.049,645 0.035,646 -0.094,647 -0.172,648 -0.186,649 -0.105,650 -0.2,651 -0.014,652 -0.172,653 -0.07,654 -0.187,655 -0.016,656 -0.142,657 1.002,658 2.523,659 0.938,660 34.625,661 0.998,662 1.117,663 3.89,664 15.13,665 0.688,666 3.611,667 3.892,668 4.159,669 4.419,670 4.7,671 4.736,672 4.956,673 5.1,674 5.252,675 5.333,676 7.129,677 0.657,678 424.54,679 3.611,680 5.13,681 5.969,682 6.825,683 7.681,684 8.547,685 9.411,686 10.282,687 11.153,688 12.028,689 7.1,695 1,699 3,704 14,705 3,709 7,711 24,726 1,729 1,731 56,733 24,734 2,735 36,737 60,738 26,739 21,740 3,741 9,746 5,747 5,761 21,762 5,778 1,781 24,782 6,784 6,790 4,794 1,795 2,805 1,806 1,812 5,839 1,840 5,848 32,854 5,856 2,859 1,870 3.6,874 1,875 1,877 14.667,878 10.05,879 7.083,880 3.347,881 3.987,882 1.501,883 1.012,884 6.269,885 11.949,886 3.892,887 4.454,888 5.027,889 5.601,890 6.192,891 6.393,892 6.903,893 7.321,894 7.758,895 8.106,896 0.875,897 48,898 11.795,900 4.944,901 7.536,902 22.912,904 18.674,905 2.036,906 65.167,909 1,910 282.506,911 172.011,912 53.481,914 22,917 172.011,918 304.506,919 53.481,921 17.989,922 113.715,923 84.899,924 52.104,925 2.328,926 258.964,928 282.506,929 225.492,930 22,933 284.834,934 11,935 11,937 38.84,938 133.967,939 50.357,941 282.506,942 75.481,943 172.011,946 282.506,947 40.201,948 134.934,950 72.356,951 282.506,952 75.481,953 172.011,955 0.565,956 0.325,957 0.181,958 0.104,959 23,960 8,961 0.1,962 6,964 1,965 4.451,966 297.154,968 30,969 150,974 20.473,975 9.799,976 5.088,978 75.481,979 27.643,980 14.018,984 6.195,987 529.998,988 48,999 55.898,1000 62.564,1001 0.255,1002 0.562,1003 0.757,1004 0.883,1005 0.908,1006 0.908,1007 5.094,1008 1.527,1009 5.905,1010 4.065,1011 4.575,1012 5.142,1013 1.806,1014 6.655,1015 4.483,1016 6.26,1017 1.395,1018 7.413,1019 3.681,1020 3.892,1021 4.62,1022 0.325,1023 7.391,1024 3.768,1025 7.529,1026 1.182,1027 9.021,1028 3.127,1029 6.098,1030 7.26,1031 1.802,1032 10.505,1033 5.925,1034 8.833,1035 1,1036 10.694,1037 2.702,1038 6.293,1039 7.589,1040 0.268,1041 12.11,1042 6.085,1043 10.171,1044 1,1045 12.408,1046 2.509,1047 7.892,1048 9.645,1049 1.906,1050 14.687,1051 7.641,1052 11.533,1053 1,1054 14.15,1055 2.487,1056 8.52,1057 10.409,1058 0.188,1059 16.651,1060 8.229,1061 12.913,1062 1,1063 15.913,1064 2.136,1065 9.838,1066 12.17,1067 2.069,1068 19.031,1069 9.507,1070 3.074,1071 1,1072 17.69,1073 2.136,1074 10.69,1075 13.184,1076 0.125,1077 21.155,1078 10.315,1079 2.763,1080 9.951,1081 19.477,1082 2.136,1083 11.877,1084 14.782,1085 2.272,1086 23.461,1087 11.463,1088 2.684,1089 8.777,1090 21.272,1091 4.113,1092 12.845,1093 15.947,1094 0.082,1095 25.66,1096 12.386,1097 2.533,1098 8.629,1099 23.074,1100 3.715,1101 13.974,1102 17.453,1103 2.501,1104 27.941,1105 13.475,1106 2.287,1107 7.124,1108 24.88,1109 3.448,1110 15.004,1111 18.711,1112 0.054,1113 30.178,1114 14.459,1115 1.909,1116 6.645,1117 26.691,1118 3.368,1119 16.111,1120 20.166,1121 2.746,1122 32.451,1123 15.523,1124 1.697,1125 5.027,1126 28.505,1127 2.919,1128 17.174,1129 21.481,1130 0.035,1131 34.708,1132 16.539,1133 13813,1134 21672,1135 25.424,1136 38.546,1137 53.526,1138 53.798,1139 52.929,1140 53.293,1141 53.303,1142 70.538,1143 5.622,1144 145.067,1145 50.787,1146 5.425,1147 5.195,1148 6.19,1149 5.131,1150 5.074,1151 7.113,1152 2.302,1153 16.49,1154 4.938,1156 1.487,1157 1.494,1158 1.47,1159 1.48,1160 1.481,1161 1.959,1162 0.156,1163 4.03,1164 1.411,1165 4.035,1166 4.071,1167 3.997,1168 3.931,1169 5.045,1170 3.941,1171 3.908,1172 3.938,1173 3.842,1174 3.836,1175 4.869,1176 3.832,1177 3.843,1178 3.874,1179 3.781,1180 3.774,1181 4.799,1182 3.773,1183 3.776,1184 3.828,1185 3.685,1186 3.589,1187 4.692,1188 3.607,1189 3.56,1190 3.608,1191 3.479,1192 3.381,1193 4.598,1194 3.396,1195 3.225,1196 3.268,1197 3.102,1198 3.044,1199 4.26,1200 3.049,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.995,1206 2.91,1207 2.948,1208 2.997,1209 2.858,1210 2.856,1211 3.841,1212 2.85,1213 0.123,1214 0.089,1215 0.177,1216 0.112,1217 0.085,1218 4.425,1219 0.114,1220 3.195,1221 0.032,1222 6.388,1223 0.276,1224 4.028,1225 0.082,1226 3.074,1227 4.113,1228 1.151,1229 9.951,1230 2.938,1231 1.959,1232 1.931,1233 2.049,1234 2.086,1235 1.214,1236 2.072,1237 1.903,1238 1.874,1239 2.02,1240 2.001,1241 1.143,1242 2.011,1243 1.837,1244 1.809,1245 1.949,1246 1.932,1247 1.085,1248 1.94,1249 1.718,1250 1.664,1251 1.908,1252 1.93,1253 1.002,1254 1.928,1255 1.497,1256 1.45,1257 1.632,1258 1.692,1259 0.825,1260 1.676,1261 1.188,1262 1.142,1263 1.513,1264 1.414,1265 0.669,1266 1.429,1267 1.153,1268 1.064,1269 1.449,1270 1.376,1271 0.605,1272 1.424,1273 0.951,1274 0.908,1275 1.181,1276 1.124,1277 0.253,1278 1.12,1279 4.29,1281 5.58,1283 7.076,1285 8.657,1287 10.283,1295 3.529,1297 11.542,1300 2.24,1305 36.783,1306 82.961,1307 182.915,1308 246.192,1309 287.212,1310 295.212,1311 295.212,1312 39.108,1313 7.961,1314 60.37,1315 60.37,1316 30,1317 12.569,1318 4.644,1319 3.7,1320 45.486,1321 132,1322 156,1323 0.16,1324 223.245,1325 382.86,1326 536.478,1327 33049,1329 21.589,1330 0.675,1331 0.554,1332 21.589,1333 17.724,1334 15.848,1335 0.44,1336 0.298,1337 10.595,1338 15.279,1339 10.395,1340 8.576,1341 15.848,1342 10.744,1343 13.658,1344 0.285,1345 0.158,1346 13.658,1347 7.578,1348 11.647,1349 0.185,1350 0.085,1351 11.647,1352 5.346,1353 9.791,1354 0.119,1355 0.044,1356 9.791,1357 3.646,1358 8.408,1359 0.077,1360 0.023,1361 8.408,1362 2.518,1363 0.251,1364 98.89,1365 0.198,1366 29.916,1367 0.443,1368 168,1369 468.052,1370 182.442,1371 452.197,1372 632.21,1373 430,1374 195,1375 469.654,1376 210.415,1377 476.958,1378 697.32,1379 450,1380 5}
{0 CHEMBL1644555,1 1.481,2 11.875,3 4.424,4 19.569,5 122.518,6 7.581,7 0.667,8 4.133,9 4.24,10 3.734,11 3.703,12 5.219,13 3.689,14 4.657,15 4.814,16 4.05,17 4.064,18 5.707,19 4.034,20 4.872,21 5.072,22 4.075,23 4.18,24 5.839,25 4.114,26 4.869,27 5.09,28 4.003,29 4.136,30 5.811,31 4.055,32 4.856,33 5.078,34 4.081,35 4.152,36 5.838,37 4.087,38 4.821,39 5.008,40 4.107,41 4.215,42 5.798,43 4.155,44 4.915,45 5.104,46 4.12,47 4.294,48 5.904,49 4.207,50 5.027,51 5.252,52 4.017,53 4.279,54 5.921,55 4.154,56 0.008,57 0.797,58 10.781,59 5.005,60 7.938,61 6.341,62 0.244,63 1.31,64 20.874,65 8.054,66 25.419,67 10.128,68 0.309,69 1.577,70 27.668,71 10.296,72 32.541,73 13.657,74 0.252,75 1.579,76 28.139,77 10.419,78 33.797,79 14.191,80 0.409,81 1.558,82 28.099,83 10.282,84 40.602,85 14.184,86 0.198,87 1.558,88 25.011,89 9.682,90 24.485,91 12.939,92 0.313,93 1.686,94 27.43,95 11.246,96 32.907,97 15.122,98 0.13,99 1.751,100 32.886,101 13.891,102 35.755,103 18.981,105 48,106 0.24,107 0.529,108 0.707,109 0.814,110 0.831,111 0.831,112 3.503,113 0.895,114 -5.12,115 -5.02,116 -4.7,119 46.4,125 5,142 12,143 3,144 1,145 2,146 1,147 1,149 1,172 12,174 2,175 11,183 12,186 1,187 11,195 7,198 1,199 8,207 4,211 4,212 11,220 12,224 1,232 15,236 4,237 8,245 12,250 12,258 6,263 7,271 3,275 1952,276 22.499,277 22.499,278 22.499,279 22.499,280 22.499,281 19.727,282 17.999,283 13.833,284 23.068,285 17.88,286 17.88,287 17.88,288 17.88,289 17.88,290 13.769,291 24.174,292 6.689,293 18.78,294 4.326,295 2.541,296 1.447,297 0.786,298 0.679,299 0.679,300 4.219,304 1,305 1,306 844,307 2.449,311 522.551,318 1.836,319 19.806,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68,331 380,332 4.425,333 3.195,334 6.388,335 4.028,336 3.074,337 4.113,338 1.151,339 9.951,340 2.939,341 4.12,342 3.021,343 6.047,344 3.736,345 2.763,346 3.715,347 0.86,348 8.777,349 2.698,350 3.932,351 2.844,352 6.016,353 3.629,354 2.684,355 3.448,356 0.8,357 8.629,358 2.521,359 3.889,360 2.709,361 5.404,362 3.515,363 2.533,364 3.368,366 7.124,367 2.489,368 3.62,369 2.479,370 5.235,371 3.233,372 2.287,373 2.919,375 6.645,376 2.148,377 3.286,378 2.283,379 4.667,380 2.854,381 1.909,382 2.584,384 5.027,385 1.801,386 2.98,387 1.874,388 4.283,389 2.609,390 1.697,391 2.138,393 4.065,394 1.543,395 2.917,396 1.669,397 4.173,398 2.504,399 1.527,400 2.054,402 3.681,403 1.491,404 2.805,405 1.519,406 3.636,407 2.353,408 1.395,409 1.901,411 3.127,412 1.33,413 2.606,414 1.365,415 3.511,416 2.127,417 1.182,418 1.652,420 2.702,421 1.111,422 2.5,423 1.256,424 3.478,425 2,426 1,427 1.5,428 2.509,429 1,430 2.5,431 1.094,432 3.472,433 1.984,434 1,435 1.5,436 2.487,437 0.983,438 2.5,439 1,440 3.247,441 1.966,442 1,443 1.5,445 2.136,446 0.963,447 2.194,448 1,449 3.247,450 1.952,451 1,452 1.165,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.896,460 1,461 1,463 2.136,464 0.891,465 15.267,466 0.477,467 0.496,468 0.015,469 46.25,470 1.445,471 25,472 0.781,473 21.25,474 0.664,475 23.347,476 0.73,477 32.733,478 0.585,479 34.638,480 1.082,481 9.332,482 0.292,483 6.516,484 0.204,487 0.255,493 0.853,494 1.307,495 0.743,496 1.086,497 0.809,498 0.932,499 1.431,500 1.048,501 1.005,502 0.945,503 1.139,504 0.926,505 1.229,506 1.075,507 1.034,508 0.978,509 1.076,510 0.979,511 1.038,512 1.08,513 0.996,514 1.011,515 1.11,516 0.995,517 0.839,518 0.883,519 0.812,520 0.795,521 0.815,522 0.796,523 1.024,524 1.065,525 1.012,526 0.976,527 1.041,528 0.977,529 0.729,530 0.995,531 1.102,532 1.123,533 0.98,534 1.148,535 0.698,536 1.206,537 1.015,538 1.281,539 0.781,540 1.213,541 4.5,542 0.124,543 2.444,544 0.875,545 1.129,546 1.208,547 0.391,548 0.3,549 0.232,550 0.114,551 14998,552 36586,553 2.213,554 42.9,556 22,558 2,564 1.749,565 2.182,566 3.514,567 -0.805,569 1,573 82.961,574 1.481,575 3.266,576 4.361,577 5.022,578 5.129,579 5.129,580 2.921,581 3.914,582 4.968,583 3.702,584 1835.95,585 8.718,586 26921,588 1,591 325.212,592 0.811,593 4.975,594 0.125,595 0.005,596 0.051,597 0.018,598 0.026,599 0.025,600 0.008,601 0.006,602 0.005,603 0.003,604 0.272,605 0.17,606 0.88,608 167.691,609 0.006,610 -0.222,611 0.08,612 -0.102,613 -0.002,614 -0.019,615 -0.133,616 0.026,617 -0.076,618 0.003,619 -0.074,620 -0.028,621 -0.097,622 -0.049,623 -0.067,624 -0.017,625 -0.058,626 -0.036,627 -0.057,628 -0.061,629 -0.02,630 -0.05,631 -0.073,632 -0.033,633 0.159,634 0.14,635 0.171,636 0.169,637 0.216,638 0.169,639 -0.141,640 0.006,641 -0.096,642 -0.018,643 -0.155,644 -0.041,645 0.066,646 0.049,647 -0.194,648 -0.149,649 -0.107,650 -0.194,651 0.052,652 -0.286,653 -0.055,654 -0.26,655 0.054,656 -0.188,657 0.994,658 2.525,659 0.938,660 34.625,661 0.998,662 1.117,663 3.89,664 15.13,665 0.688,666 3.611,667 3.892,668 4.159,669 4.419,670 4.7,671 4.736,672 4.956,673 5.1,674 5.252,675 5.333,676 7.129,677 0.657,678 424.54,679 3.611,680 5.13,681 5.969,682 6.825,683 7.681,684 8.547,685 9.411,686 10.282,687 11.153,688 12.028,689 7.1,695 1,699 3,704 14,705 3,709 7,711 24,726 1,729 1,731 56,733 24,734 2,735 36,737 60,738 26,739 21,740 3,741 9,746 5,747 5,761 21,762 5,778 1,781 24,782 6,784 6,790 4,794 1,795 2,805 1,806 1,812 5,839 1,840 5,848 32,854 5,856 2,859 1,870 3.6,874 1,875 1,877 14.667,878 10.05,879 7.083,880 3.347,881 3.987,882 1.501,883 1.012,884 6.269,885 11.949,886 3.892,887 4.454,888 5.027,889 5.601,890 6.192,891 6.393,892 6.903,893 7.321,894 7.758,895 8.106,896 0.875,897 48,898 11.794,900 4.942,901 7.536,902 22.912,904 18.674,905 2.036,906 65.167,909 1,910 282.506,911 172.011,912 53.481,914 22,917 172.011,918 304.506,919 53.481,921 17.989,922 113.715,923 84.899,924 52.104,925 2.328,926 258.964,928 282.506,929 225.492,930 22,933 284.834,934 11,935 11,937 38.84,938 133.967,939 50.357,941 282.506,942 75.481,943 172.011,946 282.506,947 40.201,948 134.934,950 72.356,951 282.506,952 75.481,953 172.011,955 0.565,956 0.325,957 0.181,958 0.104,959 23,960 8,961 0.1,962 6,964 1,965 4.451,966 297.154,968 30,969 148,974 20.473,975 9.799,976 5.088,978 75.481,979 27.636,980 13.91,984 6.289,987 529.998,988 48,999 55.898,1000 62.564,1001 0.255,1002 0.562,1003 0.751,1004 0.865,1005 0.883,1006 0.883,1007 5.094,1008 1.527,1009 5.905,1010 4.065,1011 4.575,1012 5.142,1013 1.806,1014 6.655,1015 4.483,1016 6.26,1017 1.395,1018 7.413,1019 3.681,1020 3.892,1021 4.62,1022 0.325,1023 7.391,1024 3.768,1025 7.529,1026 1.182,1027 9.021,1028 3.127,1029 6.098,1030 7.26,1031 1.802,1032 10.505,1033 5.926,1034 8.833,1035 1,1036 10.694,1037 2.702,1038 6.293,1039 7.589,1040 0.268,1041 12.11,1042 6.087,1043 10.171,1044 1,1045 12.408,1046 2.509,1047 7.892,1048 9.645,1049 1.906,1050 14.687,1051 7.644,1052 11.533,1053 1,1054 14.15,1055 2.487,1056 8.52,1057 10.409,1058 0.188,1059 16.651,1060 8.233,1061 12.913,1062 1,1063 15.913,1064 2.136,1065 9.838,1066 12.17,1067 2.069,1068 19.031,1069 9.512,1070 3.074,1071 1,1072 17.69,1073 2.136,1074 10.69,1075 13.184,1076 0.125,1077 21.155,1078 10.321,1079 2.763,1080 9.951,1081 19.477,1082 2.136,1083 11.877,1084 14.782,1085 2.272,1086 23.461,1087 11.47,1088 2.684,1089 8.777,1090 21.272,1091 4.113,1092 12.845,1093 15.947,1094 0.082,1095 25.66,1096 12.394,1097 2.533,1098 8.629,1099 23.074,1100 3.715,1101 13.974,1102 17.453,1103 2.501,1104 27.941,1105 13.483,1106 2.287,1107 7.124,1108 24.88,1109 3.448,1110 15.004,1111 18.711,1112 0.054,1113 30.178,1114 14.467,1115 1.909,1116 6.645,1117 26.691,1118 3.368,1119 16.111,1120 20.166,1121 2.746,1122 32.451,1123 15.532,1124 1.697,1125 5.027,1126 28.505,1127 2.919,1128 17.174,1129 21.481,1130 0.035,1131 34.708,1132 16.549,1133 13813,1134 21724,1135 25.424,1136 38.546,1137 53.526,1138 53.798,1139 52.929,1140 53.296,1141 53.303,1142 70.538,1143 5.622,1144 145.067,1145 50.783,1146 5.425,1147 5.195,1148 6.19,1149 5.131,1150 5.074,1151 7.113,1152 2.302,1153 16.49,1154 4.939,1156 1.487,1157 1.494,1158 1.47,1159 1.48,1160 1.481,1161 1.959,1162 0.156,1163 4.03,1164 1.411,1165 4.036,1166 4.072,1167 3.997,1168 3.933,1169 5.043,1170 3.943,1171 3.908,1172 3.938,1173 3.842,1174 3.836,1175 4.872,1176 3.833,1177 3.843,1178 3.874,1179 3.781,1180 3.775,1181 4.803,1182 3.774,1183 3.775,1184 3.828,1185 3.685,1186 3.587,1187 4.693,1188 3.604,1189 3.557,1190 3.606,1191 3.477,1192 3.372,1193 4.598,1194 3.39,1195 3.224,1196 3.267,1197 3.101,1198 3.043,1199 4.261,1200 3.048,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.01,1206 2.91,1207 2.944,1208 2.995,1209 2.853,1210 2.839,1211 3.84,1212 2.835,1213 0.123,1214 0.089,1215 0.177,1216 0.112,1217 0.085,1218 4.425,1219 0.114,1220 3.195,1221 0.032,1222 6.388,1223 0.276,1224 4.028,1225 0.082,1226 3.074,1227 4.113,1228 1.151,1229 9.951,1230 2.939,1231 1.96,1232 1.933,1233 2.049,1234 2.087,1235 1.214,1236 2.073,1237 1.904,1238 1.875,1239 2.021,1240 2.001,1241 1.143,1242 2.011,1243 1.838,1244 1.811,1245 1.949,1246 1.932,1247 1.086,1248 1.94,1249 1.717,1250 1.662,1251 1.907,1252 1.93,1253 1.008,1254 1.928,1255 1.489,1256 1.441,1257 1.62,1258 1.689,1259 0.825,1260 1.672,1261 1.187,1262 1.141,1263 1.513,1264 1.414,1265 0.65,1266 1.429,1267 1.153,1268 1.064,1269 1.449,1270 1.376,1271 0.604,1272 1.424,1273 0.937,1274 0.893,1275 1.181,1276 1.121,1277 0.252,1278 1.12,1279 4.29,1281 5.58,1283 7.076,1285 8.657,1287 10.283,1295 3.541,1297 11.545,1300 2.245,1305 36.783,1306 82.961,1307 182.915,1308 244.192,1309 281.212,1310 287.212,1311 287.212,1312 38.893,1313 7.961,1314 60.37,1315 60.37,1316 30,1317 12.569,1318 4.644,1319 3.7,1320 45.486,1321 132,1322 156,1323 0.16,1324 223.245,1325 382.86,1326 536.478,1327 33049,1329 21.589,1330 0.675,1331 0.554,1332 21.589,1333 17.724,1334 15.848,1335 0.44,1336 0.298,1337 10.595,1338 15.275,1339 10.396,1340 8.574,1341 15.848,1342 10.744,1343 13.658,1344 0.285,1345 0.158,1346 13.658,1347 7.572,1348 11.647,1349 0.185,1350 0.085,1351 11.647,1352 5.364,1353 9.791,1354 0.119,1355 0.045,1356 9.791,1357 3.654,1358 8.408,1359 0.077,1360 0.023,1361 8.408,1362 2.517,1363 0.251,1364 98.89,1365 0.198,1366 29.916,1367 0.443,1368 168,1369 468.052,1370 182.442,1371 452.066,1372 632.17,1373 430,1374 195,1375 469.654,1376 210.249,1377 476.662,1378 696.88,1379 450,1380 5}
{0 CHEMBL1644556,1 1.532,2 12.364,3 6.239,4 38.921,5 129.48,6 8.035,7 0.649,8 4.148,9 4.249,10 3.795,11 3.751,12 5.227,13 3.728,14 4.675,15 4.822,16 4.142,17 4.122,18 5.735,19 4.082,20 4.906,21 5.097,22 4.175,23 4.241,24 5.895,25 4.164,26 4.896,27 5.112,28 4.061,29 4.176,30 5.849,31 4.088,32 4.863,33 5.081,34 4.124,35 4.181,36 5.839,37 4.112,38 4.839,39 5.02,40 4.202,41 4.257,42 5.842,43 4.193,44 4.938,45 5.12,46 4.207,47 4.345,48 5.928,49 4.251,50 5.05,51 5.267,52 4.17,53 4.337,54 5.968,55 4.21,57 0.763,58 10.171,59 5.096,60 6.779,61 6.375,62 0.22,63 1.28,64 20.595,65 8.515,66 24.255,67 10.411,68 0.318,69 1.574,70 30.473,71 11.189,72 35.633,73 14.287,74 0.279,75 1.593,76 30.672,77 11.078,78 37.018,79 14.571,80 0.381,81 1.551,82 28.084,83 10.612,84 38.208,85 14.282,86 0.227,87 1.539,88 25.257,89 9.977,90 27.512,91 13.021,92 0.269,93 1.662,94 28.39,95 11.643,96 31.687,97 15.327,98 0.205,99 1.744,100 34.877,101 14.45,102 39.001,103 19.413,104 2,105 50,106 0.247,107 0.523,108 0.681,109 0.81,110 0.835,111 0.835,112 3.532,113 0.922,114 -6.29,115 -6.13,116 -5.69,119 47.4,125 5,142 14,143 3,144 2,146 1,147 1,149 1,172 14,174 2,175 9,183 17,186 1,187 10,195 11,198 1,199 10,207 7,211 3,212 10,220 12,224 6,232 18,236 2,237 7,245 16,250 12,258 9,263 10,271 7,275 2145,276 22.947,277 22.947,278 22.947,279 22.947,280 22.947,281 20.15,282 19.601,283 13.92,284 23.579,285 18.346,286 18.346,287 18.346,288 18.346,289 18.346,290 14.174,291 24.815,292 6.726,293 19.422,294 4.301,295 2.593,296 1.615,297 0.82,298 0.667,299 0.667,300 4.246,301 1,305 1,306 901,307 2.55,311 543.989,318 1.868,319 21.534,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 69.833,331 408,332 4.429,333 3.197,334 6.389,335 4.031,336 3.076,337 4.118,338 1.151,339 9.954,340 2.942,341 4.139,342 3.021,343 6.048,344 3.745,345 2.77,346 3.749,347 0.86,348 8.782,349 2.705,350 3.97,351 2.96,352 6.019,353 3.646,354 2.708,355 3.479,356 0.8,357 8.644,358 2.53,359 3.892,360 2.805,361 5.404,362 3.515,363 2.535,364 3.43,366 7.126,367 2.489,368 3.662,369 2.658,370 5.237,371 3.261,372 2.335,373 2.957,375 6.652,376 2.157,377 3.568,378 2.458,379 5.043,380 3.134,381 2.219,382 2.909,384 6.083,385 1.965,386 3.077,387 2.279,388 4.611,389 2.747,390 1.829,391 2.236,393 4.85,394 1.657,395 2.924,396 1.768,397 4.221,398 2.506,399 1.541,400 2.086,402 3.837,403 1.491,404 2.809,405 1.617,406 4.13,407 2.39,408 1.447,409 1.904,411 3.497,412 1.349,413 2.736,414 1.386,415 3.635,416 2.252,417 1.291,418 1.825,420 3.122,421 1.216,422 2.534,423 1.299,424 3.493,425 2.023,426 1.077,427 1.551,428 2.607,429 1.013,430 2.5,431 1.256,432 3.477,433 2,434 1,435 1.5,436 2.489,437 1,438 2.5,439 1.039,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.195,448 1,449 3.247,450 1.952,451 1,452 1.167,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.911,460 1,461 1,463 2.136,464 0.902,465 16.081,466 0.487,467 0.602,468 0.018,469 46.5,470 1.409,471 25,472 0.758,473 21.5,474 0.652,475 25.803,476 0.782,477 33.719,478 0.592,479 35.375,480 1.072,481 9.324,482 0.283,483 6.919,484 0.21,485 0.044,487 0.274,493 0.787,494 1.242,495 0.627,496 0.99,497 0.754,498 0.888,499 1.284,500 1.051,501 0.82,502 0.901,503 0.965,504 0.906,505 1.203,506 1.099,507 1.004,508 0.98,509 1.045,510 0.985,511 1.05,512 1.084,513 0.946,514 0.989,515 1.112,516 0.989,517 0.797,518 0.921,519 0.632,520 0.747,521 0.75,522 0.772,523 0.915,524 1.062,525 0.807,526 0.928,527 0.873,528 0.948,529 0.776,530 1.056,531 0.962,532 1.076,533 0.975,534 1.119,535 0.622,536 1.161,537 0.823,538 1.196,539 0.695,540 1.163,541 5.5,542 0.19,543 2.889,544 0.938,545 1.32,546 1.319,547 0.469,548 0.396,549 0.351,550 0.185,551 16163,552 42391,553 2.187,554 42.1,556 24,564 1.757,565 2.129,566 3.565,567 -0.811,573 87.299,574 1.532,575 3.239,576 4.218,577 5.013,578 5.166,579 5.166,580 3.048,581 4.62,582 5.011,583 3.743,584 1976.35,585 8.808,586 29646.7,591 332.475,592 1.027,593 5.01,594 0.149,595 0.007,596 0.058,597 0.019,598 0.029,599 0.026,600 0.009,601 0.008,602 0.008,603 0.005,604 0.317,605 0.33,606 0.75,607 0.306,608 174.738,610 -0.177,611 0.046,612 -0.073,613 -0.044,614 -0.009,615 -0.104,616 0.016,617 -0.034,618 0.013,619 -0.025,620 -0.024,621 -0.101,622 -0.066,623 -0.08,624 -0.034,625 -0.046,626 -0.05,627 -0.082,628 -0.037,629 -0.061,630 -0.051,631 -0.108,632 -0.039,633 0.118,634 0.133,635 0.139,636 0.18,637 0.149,638 0.178,639 -0.076,640 0.025,641 -0.038,642 -0.014,643 -0.054,644 -0.035,645 -0.004,646 -0.007,647 -0.152,648 -0.138,649 -0.149,650 -0.183,651 0.121,652 -0.222,653 0.028,654 -0.205,655 0.099,656 -0.151,657 1.005,658 2.532,659 0.909,660 37.273,661 1,662 1.113,663 5.061,664 25.615,665 0.705,666 3.638,667 3.932,668 4.19,669 4.443,670 4.736,671 4.787,672 4.984,673 5.147,674 5.313,675 5.407,676 7.3,677 0.669,678 457.99,679 3.638,680 5.165,681 6.004,682 6.864,683 7.72,684 8.587,685 9.452,686 10.325,687 11.196,688 12.072,689 5.3,695 1,699 2,704 14,705 2,709 8,711 24,726 1,729 1,730 1,731 57,733 24,734 3,735 37,737 61,738 27,739 22,740 5,741 13,746 5,747 5,748 1,761 22,762 5,781 24,782 5,784 6,785 1,790 3,794 1,795 2,806 1,812 5,839 1,840 5,845 1,848 33,854 5,856 2,859 1,869 1,870 3.5,874 1,875 1,877 15.5,878 10.243,879 7.25,880 3.416,881 4.023,882 1.501,883 1.012,884 6.751,885 12.06,886 3.912,887 4.489,888 5.056,889 5.626,890 6.226,891 6.451,892 6.933,893 7.37,894 7.818,895 8.185,896 1,897 50,898 12.165,900 5.118,901 7.559,902 23.603,904 19.335,905 2.059,906 67.944,910 282.506,911 176.369,912 36.695,913 39.149,914 22,917 176.369,918 343.655,919 36.695,921 17.989,922 132.667,923 44.571,924 37.51,925 2.328,926 282.506,927 39.149,928 282.506,929 213.065,930 22,931 39.149,933 284.834,934 11,935 11,937 20.745,938 156.42,939 72.72,941 282.506,942 58.695,943 215.518,946 282.506,947 43.702,948 135.792,950 94.719,951 282.506,952 58.695,953 215.518,955 0.572,956 0.326,957 0.176,958 0.104,959 24,960 9,961 0.098,962 6,964 1,965 4.505,966 310.055,968 30,969 154.465,974 21.751,975 10.242,976 5.467,978 58.695,979 27.831,980 9.798,984 6.916,987 556.72,988 49,999 57.003,1000 63.425,1001 0.263,1002 0.555,1003 0.723,1004 0.859,1005 0.886,1006 0.886,1007 5.124,1008 1.541,1009 5.953,1010 4.85,1011 4.615,1012 5.176,1013 1.806,1014 6.708,1015 4.51,1016 6.301,1017 1.447,1018 7.468,1019 3.837,1020 4.007,1021 4.745,1022 0.325,1023 7.455,1024 3.822,1025 7.578,1026 1.291,1027 9.08,1028 3.497,1029 6.151,1030 7.309,1031 1.802,1032 10.548,1033 5.958,1034 8.89,1035 1.077,1036 10.752,1037 3.122,1038 6.382,1039 7.694,1040 0.268,1041 12.142,1042 6.121,1043 10.232,1044 1,1045 12.463,1046 2.607,1047 7.946,1048 9.701,1049 1.906,1050 14.714,1051 7.674,1052 11.597,1053 1,1054 14.201,1055 2.489,1056 8.587,1057 10.498,1058 0.188,1059 16.668,1060 8.257,1061 12.978,1062 1,1063 15.959,1064 2.275,1065 9.888,1066 12.23,1067 2.069,1068 19.047,1069 9.539,1070 3.076,1071 1,1072 17.73,1073 2.136,1074 10.743,1075 13.263,1076 0.125,1077 21.166,1078 10.342,1079 2.77,1080 9.954,1081 19.512,1082 2.136,1083 11.921,1084 14.844,1085 2.272,1086 23.471,1087 11.494,1088 2.708,1089 8.782,1090 21.303,1091 4.118,1092 12.89,1093 16.019,1094 0.082,1095 25.668,1096 12.414,1097 2.535,1098 8.644,1099 23.1,1100 3.749,1101 14.014,1102 17.515,1103 2.501,1104 27.949,1105 13.506,1106 2.335,1107 7.126,1108 24.903,1109 3.479,1110 15.043,1111 18.778,1112 0.054,1113 30.185,1114 14.488,1115 2.219,1116 6.652,1117 26.711,1118 3.43,1119 16.147,1120 20.227,1121 2.746,1122 32.458,1123 15.555,1124 1.829,1125 6.083,1126 28.522,1127 2.957,1128 17.209,1129 21.544,1130 0.035,1131 34.715,1132 16.571,1133 14963,1134 24395,1135 25.83,1136 40.159,1137 55.131,1138 55.793,1139 54.909,1140 55.058,1141 54.857,1142 72.249,1143 5.622,1144 151.185,1145 51.798,1146 5.429,1147 5.197,1148 6.191,1149 5.134,1150 5.076,1151 7.118,1152 2.302,1153 16.494,1154 4.942,1155 8,1156 1.49,1157 1.508,1158 1.484,1159 1.488,1160 1.483,1161 1.953,1162 0.152,1163 4.086,1164 1.4,1165 4.042,1166 4.075,1167 4.045,1168 3.952,1169 5.044,1170 3.957,1171 3.913,1172 3.94,1173 3.914,1174 3.85,1175 4.906,1176 3.845,1177 3.857,1178 3.882,1179 3.823,1180 3.806,1181 4.817,1182 3.799,1183 3.785,1184 3.832,1185 3.727,1186 3.615,1187 4.697,1188 3.63,1189 3.572,1190 3.614,1191 3.541,1192 3.402,1193 4.602,1194 3.415,1195 3.225,1196 3.268,1197 3.256,1198 3.045,1199 4.307,1200 3.05,1201 3.111,1202 3.206,1203 3.095,1204 2.941,1205 4.244,1206 2.91,1207 2.957,1208 2.997,1209 2.866,1210 2.88,1211 3.938,1212 2.872,1213 0.12,1214 0.086,1215 0.173,1216 0.109,1217 0.083,1218 4.429,1219 0.111,1220 3.197,1221 0.031,1222 6.389,1223 0.269,1224 4.031,1225 0.08,1226 3.076,1227 4.118,1228 1.151,1229 9.954,1230 2.942,1231 1.971,1232 1.946,1233 2.052,1234 2.086,1235 1.216,1236 2.075,1237 1.91,1238 1.885,1239 2.027,1240 2.001,1241 1.143,1242 2.012,1243 1.86,1244 1.837,1245 1.963,1246 1.932,1247 1.11,1248 1.946,1249 1.73,1250 1.68,1251 1.915,1252 1.93,1253 1.061,1254 1.932,1255 1.511,1256 1.468,1257 1.633,1258 1.691,1259 0.825,1260 1.68,1261 1.188,1262 1.142,1263 1.513,1264 1.414,1265 0.701,1266 1.429,1267 1.153,1268 1.064,1269 1.449,1270 1.376,1271 0.606,1272 1.424,1273 0.95,1274 0.912,1275 1.181,1276 1.122,1277 0.252,1278 1.12,1279 4.317,1281 5.617,1283 7.117,1285 8.701,1287 10.328,1290 6.102,1295 3.499,1297 11.559,1300 2.24,1305 38.116,1306 87.299,1307 184.65,1308 240.417,1309 285.72,1310 294.475,1311 294.475,1312 42.923,1313 8.037,1314 47.48,1315 47.48,1316 30,1317 12.612,1318 4.644,1319 3.7,1320 47.587,1321 139,1322 165,1323 0.159,1324 234.376,1325 404.37,1326 563.638,1327 36068,1328 1.8,1329 22.46,1330 0.681,1331 0.573,1332 22.96,1333 18.91,1334 16.242,1335 0.439,1336 0.307,1337 10.892,1338 15.439,1339 10.644,1340 8.759,1341 16.531,1342 11.372,1343 14.279,1344 0.286,1345 0.166,1346 14.688,1347 8.28,1348 12.058,1349 0.186,1350 0.089,1351 12.347,1352 5.78,1353 9.943,1354 0.118,1355 0.046,1356 10.11,1357 3.878,1358 8.632,1359 0.076,1360 0.024,1361 8.846,1362 2.752,1363 0.249,1364 103.929,1365 0.197,1366 30.689,1367 0.439,1368 174,1369 482.61,1370 202.574,1371 497.05,1372 682.16,1373 470,1374 202,1375 482.404,1376 225.675,1377 499.827,1378 732.02,1379 472,1380 5}
{0 CHEMBL1644557,1 1.602,2 12.441,3 6.903,4 47.653,5 134.285,6 8.639,7 0.632,8 4.153,9 4.248,10 3.857,11 3.771,12 5.247,13 3.747,14 4.681,15 4.821,16 4.229,17 4.15,18 5.762,19 4.109,20 4.916,21 5.096,22 4.376,23 4.284,24 5.963,25 4.206,26 4.903,27 5.111,28 4.159,29 4.206,30 5.885,31 4.119,32 4.871,33 5.08,34 4.223,35 4.207,36 5.888,37 4.139,38 4.847,39 5.018,40 4.288,41 4.286,42 5.874,43 4.221,44 4.946,45 5.119,46 4.34,47 4.37,48 5.976,49 4.281,50 5.059,51 5.266,52 4.333,53 4.381,54 6.012,55 4.258,56 0.026,57 0.751,58 8.89,59 4.925,60 5.917,61 6.032,62 0.267,63 1.265,64 19.278,65 8.441,66 22.441,67 9.953,68 0.447,69 1.554,70 34.349,71 11.424,72 40.847,73 13.922,74 0.358,75 1.577,76 31.517,77 11.303,78 38.405,79 14.322,80 0.474,81 1.531,82 29.417,83 10.813,84 41.822,85 14.088,86 0.291,87 1.519,88 24.996,89 10.008,90 26.751,91 12.553,92 0.378,93 1.634,94 27.815,95 11.515,96 32.903,97 14.83,98 0.278,99 1.719,100 35.15,101 14.642,102 38.758,103 19.225,104 5,105 52,106 0.259,107 0.541,108 0.698,109 0.829,110 0.857,111 0.857,112 3.561,113 0.936,114 -6.49,115 -6.31,116 -5.86,119 47.4,125 5,142 13,143 3,144 3,146 1,147 1,149 1,172 13,174 2,175 9,183 15,186 1,187 10,195 13,198 1,199 9,207 7,211 3,212 11,220 13,224 4,232 17,236 2,237 9,245 15,250 12,258 10,263 8,271 7,275 2312,276 23.447,277 23.447,278 23.447,279 23.447,280 23.447,281 20.597,282 20.167,283 14.089,284 24.176,285 18.814,286 18.814,287 18.814,288 18.814,289 18.814,290 14.56,291 25.08,292 6.785,293 20.13,294 4.231,295 2.481,296 1.511,297 0.702,298 0.526,299 0.526,300 4.272,301 2,305 1,306 930,307 2.646,311 562.295,318 1.886,319 25.697,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 72.167,331 423,332 4.443,333 3.324,334 6.398,335 4.04,336 3.087,337 4.142,338 1.151,339 9.983,340 2.947,341 4.223,342 3.182,343 6.106,344 3.791,345 2.849,346 3.866,347 0.86,348 8.929,349 2.716,350 4.035,351 3.021,352 6.037,353 3.678,354 2.744,355 3.573,356 0.8,357 8.724,358 2.54,359 3.894,360 2.819,361 5.78,362 3.516,363 2.545,364 3.44,366 7.684,367 2.49,368 3.756,369 2.667,370 5.403,371 3.388,372 2.478,373 3.065,375 7.117,376 2.18,377 3.598,378 2.458,379 5.234,380 3.202,381 2.261,382 2.916,384 6.634,385 2.063,386 3.082,387 2.279,388 4.635,389 2.754,390 1.832,391 2.244,393 4.89,394 1.672,395 2.924,396 2.141,397 4.241,398 2.506,399 1.541,400 2.087,402 3.861,403 1.491,404 2.822,405 1.758,406 4.158,407 2.393,408 1.447,409 1.951,411 3.59,412 1.352,413 2.808,414 1.61,415 4.024,416 2.308,417 1.414,418 1.904,420 3.444,421 1.234,422 2.736,423 1.382,424 3.635,425 2.251,426 1.29,427 1.824,428 3.122,429 1.186,430 2.534,431 1.283,432 3.494,433 2.023,434 1.077,435 1.551,436 2.608,437 1.013,438 2.5,439 1.256,440 3.477,441 2,442 1,443 1.5,445 2.489,446 1,447 2.195,448 1.039,449 3.247,450 1.952,451 1,452 1.167,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.911,460 1,461 1,463 2.136,464 0.902,465 16.795,466 0.494,467 0.691,468 0.02,469 47.25,470 1.39,471 25,472 0.735,473 22.25,474 0.654,475 28.399,476 0.835,477 34.805,478 0.611,479 36.392,480 1.07,481 9.411,482 0.277,483 7.242,484 0.213,485 0.085,487 0.292,493 0.747,494 1.242,495 0.556,496 0.932,497 0.698,498 0.854,499 1.191,500 1.046,501 0.721,502 0.841,503 0.886,504 0.865,505 1.105,506 1.099,507 0.851,508 0.925,509 0.926,510 0.953,511 1.015,512 1.084,513 0.882,514 0.962,515 1.048,516 0.977,517 0.753,518 0.93,519 0.628,520 0.754,521 0.689,522 0.772,523 0.904,524 1.061,525 0.78,526 0.903,527 0.873,528 0.936,529 0.674,530 1.069,531 0.825,532 1.054,533 0.852,534 1.096,535 0.636,536 1.153,537 0.744,538 1.117,539 0.666,540 1.109,541 6,542 0.231,543 3.333,544 1.125,545 1.591,546 1.319,547 0.491,548 0.549,549 0.425,550 0.243,551 17216,552 49312,553 2.163,554 40.4,556 23,564 1.765,565 2.082,566 3.57,567 -0.788,573 91.296,574 1.602,575 3.352,576 4.322,577 5.131,578 5.307,579 5.307,580 3.044,581 4.676,582 5.055,583 3.755,584 2106.66,585 8.897,586 32216.3,591 332.475,592 1.166,593 5.043,594 0.158,595 0.007,596 0.064,597 0.021,598 0.034,599 0.025,600 0.009,601 0.01,602 0.009,603 0.006,604 0.343,605 0.33,606 0.63,607 0.39,608 181.509,609 -0.013,610 -0.178,611 0.028,612 -0.07,613 -0.052,614 -0.011,615 -0.112,616 0.024,617 -0.012,618 0.044,619 -0.031,620 -0.003,621 -0.044,622 -0.064,623 0.049,624 0.014,625 0.043,626 -0.024,627 -0.093,628 -0.032,629 -0.047,630 -0.031,631 -0.107,632 -0.027,633 0.129,634 0.13,635 0.125,636 0.168,637 0.173,638 0.179,639 -0.092,640 0.028,641 -0.046,642 -0.01,643 -0.086,644 -0.037,645 0.077,646 -0.018,647 -0.068,648 -0.141,649 -0.068,650 -0.172,651 0.116,652 -0.212,653 0.089,654 -0.133,655 0.121,656 -0.095,657 1.177,658 2.53,659 0.882,660 38.706,661 1.006,662 1.112,663 5.257,664 27.632,665 0.72,666 3.664,667 3.97,668 4.234,669 4.477,670 4.771,671 4.828,672 5.03,673 5.193,674 5.371,675 5.472,676 7.382,677 0.683,678 492.43,679 3.664,680 5.198,681 6.043,682 6.907,683 7.768,684 8.638,685 9.508,686 10.383,687 11.258,688 12.136,689 5.3,695 1,699 2,704 13,705 2,709 9,711 24,726 1,729 1,730 2,731 57,733 24,734 3,735 38,737 61,738 27,739 22,740 6,741 12,746 5,747 5,748 2,761 22,762 5,781 23,782 5,784 7,785 2,790 3,794 1,795 2,806 1,812 5,839 1,840 5,845 2,848 34,854 5,856 2,859 1,869 2,870 3.5,874 1,875 1,877 16.333,878 10.302,879 7.444,880 3.403,881 4.06,882 1.501,883 1.01,884 7.191,885 12.168,886 3.932,887 4.522,888 5.094,889 5.658,890 6.258,891 6.498,892 6.979,893 7.414,894 7.876,895 8.244,896 1,897 53,898 12.529,900 5.298,901 7.609,902 24.163,904 19.817,905 2.109,906 71.722,910 270.735,911 170.394,912 36.695,913 78.297,914 22,917 170.394,918 371.032,919 36.695,921 17.989,922 123.191,923 44.571,924 41.01,925 2.328,926 270.735,927 78.297,928 270.735,929 207.089,930 22,931 78.297,933 273.063,934 11,935 11,937 20.745,938 150.445,939 111.868,941 270.735,942 58.695,943 248.691,946 270.735,947 47.203,948 126.316,950 133.868,951 270.735,952 58.695,953 248.691,955 0.576,956 0.333,957 0.175,958 0.102,959 25,960 10,961 0.098,962 6,964 1,965 4.535,966 324.704,968 30,969 164.974,974 22.973,975 10.643,976 5.659,978 58.695,979 25.483,980 9.769,984 6.88,987 578.122,988 50,999 57.327,1000 63.369,1001 0.275,1002 0.575,1003 0.741,1004 0.88,1005 0.91,1006 0.91,1007 5.153,1008 1.541,1009 6.004,1010 4.89,1011 4.654,1012 5.209,1013 1.806,1014 6.774,1015 4.527,1016 6.34,1017 1.447,1018 7.533,1019 3.861,1020 4.111,1021 4.856,1022 0.325,1023 7.554,1024 3.873,1025 7.628,1026 1.414,1027 9.16,1028 3.59,1029 6.209,1030 7.362,1031 1.802,1032 10.646,1033 5.979,1034 8.949,1035 1.29,1036 10.846,1037 3.444,1038 6.494,1039 7.817,1040 0.268,1041 12.248,1042 6.161,1043 10.302,1044 1.077,1045 12.569,1046 3.122,1047 8.027,1048 9.779,1049 1.906,1050 14.824,1051 7.698,1052 11.675,1053 1,1054 14.316,1055 2.608,1056 8.708,1057 10.635,1058 0.188,1059 16.773,1060 8.292,1061 13.066,1062 1,1063 16.081,1064 2.489,1065 9.991,1066 12.335,1067 2.069,1068 19.156,1069 9.565,1070 3.087,1071 1,1072 17.858,1073 2.136,1074 10.872,1075 13.413,1076 0.125,1077 21.268,1078 10.374,1079 2.849,1080 9.983,1081 19.645,1082 2.136,1083 12.042,1084 14.974,1085 2.272,1086 23.575,1087 11.522,1088 2.744,1089 8.929,1090 21.438,1091 4.142,1092 13.026,1093 16.183,1094 0.082,1095 25.767,1096 12.445,1097 2.545,1098 8.724,1099 23.238,1100 3.866,1101 14.147,1102 17.667,1103 2.501,1104 28.048,1105 13.536,1106 2.478,1107 7.684,1108 25.042,1109 3.573,1110 15.185,1111 18.954,1112 0.054,1113 30.28,1114 14.52,1115 2.261,1116 7.117,1117 26.85,1118 3.44,1119 16.288,1120 20.398,1121 2.746,1122 32.553,1123 15.587,1124 1.832,1125 6.634,1126 28.662,1127 3.065,1128 17.354,1129 21.731,1130 0.035,1131 34.808,1132 16.605,1133 16012,1134 27317,1135 26.235,1136 41.017,1137 56.784,1138 58.127,1139 56.895,1140 56.714,1141 56.56,1142 74.164,1143 5.622,1144 158.003,1145 52.676,1146 5.443,1147 5.324,1148 6.2,1149 5.144,1150 5.087,1151 7.142,1152 2.302,1153 16.57,1154 4.947,1155 11.279,1156 1.494,1157 1.53,1158 1.497,1159 1.492,1160 1.488,1161 1.952,1162 0.148,1163 4.158,1164 1.386,1165 4.043,1166 4.074,1167 4.132,1168 3.958,1169 5.082,1170 3.962,1171 3.914,1172 3.94,1173 3.944,1174 3.854,1175 4.966,1176 3.848,1177 3.859,1178 3.882,1179 3.826,1180 3.81,1181 4.82,1182 3.803,1183 3.786,1184 3.832,1185 3.73,1186 3.619,1187 4.697,1188 3.633,1189 3.574,1190 3.614,1191 3.543,1192 3.405,1193 4.602,1194 3.418,1195 3.225,1196 3.268,1197 3.4,1198 3.046,1199 4.49,1200 3.05,1201 3.111,1202 3.206,1203 3.221,1204 2.941,1205 4.277,1206 2.91,1207 2.961,1208 2.997,1209 3.092,1210 2.887,1211 4.216,1212 2.879,1213 0.117,1214 0.087,1215 0.168,1216 0.106,1217 0.081,1218 4.443,1219 0.109,1220 3.324,1221 0.03,1222 6.398,1223 0.263,1224 4.04,1225 0.078,1226 3.087,1227 4.142,1228 1.151,1229 9.983,1230 2.947,1231 1.97,1232 1.947,1233 2.049,1234 2.084,1235 1.217,1236 2.072,1237 1.909,1238 1.885,1239 2.02,1240 2.001,1241 1.143,1242 2.011,1243 1.858,1244 1.837,1245 1.948,1246 1.931,1247 1.11,1248 1.94,1249 1.729,1250 1.68,1251 1.907,1252 1.92,1253 1.06,1254 1.927,1255 1.509,1256 1.469,1257 1.62,1258 1.685,1259 0.825,1260 1.673,1261 1.188,1262 1.142,1263 1.513,1264 1.413,1265 0.696,1266 1.429,1267 1.153,1268 1.064,1269 1.449,1270 1.376,1271 0.606,1272 1.424,1273 0.949,1274 0.913,1275 1.181,1276 1.121,1277 0.252,1278 1.12,1279 4.344,1281 5.652,1283 7.162,1285 8.755,1287 10.39,1290 12.435,1295 3.386,1297 11.555,1300 2.214,1305 38.944,1306 91.296,1307 191.044,1308 246.369,1309 292.475,1310 302.475,1311 302.475,1312 48.457,1313 8.108,1314 47.48,1315 47.48,1316 30,1317 12.674,1318 4.644,1319 3.7,1320 49.722,1321 145,1322 174,1323 0.16,1324 242.709,1325 419.58,1326 583.97,1327 39097,1328 3.5,1329 23.33,1330 0.686,1331 0.587,1332 24.33,1333 19.967,1334 16.653,1335 0.438,1336 0.312,1337 11.028,1338 15.59,1339 10.744,1340 8.82,1341 17.23,1342 11.856,1343 14.787,1344 0.284,1345 0.169,1346 15.529,1347 8.78,1348 12.636,1349 0.186,1350 0.093,1351 13.551,1352 6.343,1353 10.203,1354 0.117,1355 0.047,1356 10.589,1357 4.085,1358 8.833,1359 0.075,1360 0.025,1361 9.23,1362 2.884,1363 0.25,1364 109.569,1365 0.195,1366 31.389,1367 0.442,1368 180,1369 516.813,1370 224.093,1371 559.177,1372 754.21,1373 526,1374 210,1375 510.267,1376 251.146,1377 537.605,1378 789.97,1379 507,1380 5}
{0 CHEMBL1644558,1 1.571,2 8.08,3 3.018,4 9.107,5 92.765,6 7.777,7 0.643,8 3.885,9 3.993,10 3.498,11 3.422,12 5.019,13 3.422,14 4.398,15 4.556,16 3.829,17 3.78,18 5.506,19 3.766,20 4.621,21 4.827,22 3.852,23 3.891,24 5.664,25 3.843,26 4.575,27 4.799,28 3.775,29 3.837,30 5.588,31 3.777,32 4.551,33 4.766,34 3.847,35 3.845,36 5.649,37 3.798,38 4.534,39 4.725,40 3.837,41 3.88,42 5.559,43 3.837,44 4.596,45 4.783,46 3.821,47 3.927,48 5.657,49 3.861,50 4.703,51 4.926,52 3.642,53 3.914,54 5.699,55 3.788,56 0.041,57 0.646,58 8.12,59 3.706,60 7.946,61 4.591,62 0.223,63 1.044,64 15.563,65 5.838,66 20.014,67 7.396,68 0.366,69 1.246,70 21.522,71 7.324,72 33.17,73 9.825,74 0.244,75 1.213,76 20.525,77 7.048,78 28.287,79 9.891,80 0.383,81 1.185,82 19.972,83 6.956,84 39.403,85 9.741,86 0.208,87 1.187,88 18.459,89 6.63,90 19.7,91 8.917,92 0.289,93 1.235,94 19.493,95 7.328,96 25.857,97 9.799,98 0.303,99 1.234,100 23.801,101 9.441,102 39.91,103 12.812,104 2,105 38,106 0.272,107 0.587,108 0.745,109 0.85,110 0.858,111 0.858,112 3.268,113 0.881,114 -3.83,115 -3.79,116 -3.6,119 44.2,125 4,142 8,143 1,144 1,145 1,146 2,147 1,149 1,172 6,174 2,175 7,180 2,183 5,186 2,187 7,192 2,195 3,198 1,199 4,204 1,207 2,211 3,212 9,215 2,220 4,224 5,232 4,236 1,237 5,240 1,242 1,245 5,249 1,250 4,253 1,255 1,258 4,263 2,268 1,271 2,275 842,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 15.288,282 12.611,283 10.569,284 17.841,285 13.897,286 13.897,287 13.897,288 13.897,289 13.897,290 10.812,291 16.024,292 5.101,293 14.681,294 3.855,295 2.03,296 1.116,297 0.512,298 0.465,299 0.465,300 3.971,303 1,304 1,305 1,306 442,307 1.871,311 308.02,318 1.056,319 21.382,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 202,332 4.424,333 3.192,334 6.387,335 4.023,336 3.072,337 4.111,338 0.86,339 9.946,340 2.924,341 4.104,342 2.898,343 6.039,344 3.712,345 2.738,346 3.702,347 0.8,348 8.733,349 2.668,350 3.919,351 2.758,352 6.016,353 3.62,354 2.684,355 3.365,357 8.629,358 2.501,359 3.583,360 2.433,361 5.058,362 3.182,363 2.237,364 2.888,366 6.112,367 2.105,368 3.274,369 2.27,370 4.633,371 2.844,372 1.891,373 2.574,375 4.933,376 1.803,377 2.958,378 1.852,379 4.283,380 2.626,381 1.697,382 2.075,384 4.065,385 1.57,386 2.792,387 1.525,388 4.123,389 2.338,390 1.386,391 1.887,393 3.542,394 1.313,395 2.604,396 1.34,397 3.509,398 2.134,399 1.174,400 1.65,402 2.689,403 1.122,404 2.5,405 1.256,406 3.472,407 1.976,408 1,409 1.5,411 2.509,412 0.974,413 2.5,414 1.09,415 3.469,416 1.955,417 1,418 1.5,420 2.473,421 0.952,422 2.194,423 1,424 3.247,425 1.952,426 1,427 1.165,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.898,434 1,435 1,436 2.136,437 0.892,438 0.99,439 -0.057,440 2.667,441 0.567,442 -0.383,443 -0.493,445 -0.868,446 -0.356,447 0.921,448 -0.322,449 2.6,450 0.481,451 -0.456,452 -0.553,454 -1.194,455 -0.423,456 0.846,457 -0.36,458 2.384,459 0.452,460 -0.491,461 -0.644,463 -1.308,464 -0.465,465 11.767,466 0.471,467 0.465,468 0.019,469 36,470 1.44,471 19,472 0.76,473 17,474 0.68,475 16.813,476 0.673,477 26.033,478 0.605,479 25.404,480 1.016,481 7.21,482 0.288,483 5.083,484 0.203,485 0.028,487 0.289,493 0.92,494 1.364,495 0.742,496 1.08,497 0.922,498 0.918,499 1.182,500 1.134,501 0.937,502 0.968,503 0.759,504 0.92,505 1.141,506 1.038,507 1.006,508 0.893,509 0.987,510 0.917,511 0.845,512 1.109,513 0.938,514 0.966,515 0.881,516 0.95,517 0.652,518 0.929,519 0.808,520 0.833,521 0.669,522 0.836,523 0.997,524 1.122,525 1.008,526 0.988,527 0.803,528 0.977,529 0.884,530 1.084,531 1.16,532 1.146,533 0.882,534 1.173,535 0.758,536 1.011,537 1.148,538 1.268,539 0.894,540 1.276,541 4,542 0.025,543 2.222,544 0.938,545 0.938,546 1.083,547 0.389,548 0.174,549 0.196,550 0.105,551 6844,552 18253,553 2.179,554 41.9,556 16,558 1,559 1,564 1.689,565 2.113,566 3.049,567 -0.317,568 1,569 1,571 1,573 67.56,574 1.571,575 3.396,576 4.31,577 4.915,578 4.961,579 4.961,580 2.272,581 3.684,582 4.615,583 3.202,584 960.497,585 8.029,586 11610.7,588 1,590 1,591 233.329,592 1.078,593 4.606,594 0.143,595 0.005,596 0.058,597 0.025,598 0.027,599 0.029,600 0.01,601 0.005,602 0.007,603 0.007,604 0.315,605 0.5,606 1,607 0.372,608 118.265,609 -0.068,610 -0.245,611 0.055,612 -0.077,613 -0.101,614 -0.009,615 -0.111,616 -0.036,617 -0.043,618 -0.017,619 0.005,620 -0.023,621 -0.103,622 0.002,623 -0.047,624 0.053,625 -0.057,626 0.016,627 -0.058,628 -0.06,629 0.01,630 -0.021,631 -0.05,632 0.004,633 0.203,634 0.128,635 0.139,636 0.115,637 0.179,638 0.112,639 -0.16,640 -0.032,641 -0.105,642 -0.041,643 -0.103,644 -0.051,645 -0.04,646 -0.009,647 -0.265,648 -0.188,649 -0.093,650 -0.243,651 0.063,652 -0.085,653 -0.189,654 -0.253,655 0.016,656 -0.258,657 1.475,658 3.784,659 0.96,660 19.558,661 1.006,662 1.124,663 2.6,664 6.76,665 0.681,666 3.367,667 3.664,668 3.932,669 4.205,670 4.489,671 4.533,672 4.745,673 4.86,674 4.977,675 4.99,676 5.401,677 0.656,678 334.41,679 3.367,680 4.89,681 5.733,682 6.6,683 7.462,684 8.337,685 9.209,686 10.089,687 10.966,688 11.849,689 9.3,695 1,699 3,704 9,705 3,709 6,711 18,726 1,728 1,731 43,733 18,734 1,735 28,737 46,738 19,739 15,740 2,741 4,746 4,747 4,761 15,762 4,777 1,778 1,781 18,782 6,783 1,784 6,790 4,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 25,853 1,854 4,856 1,859 1,870 4.7,872 1,874 1,877 11.833,878 7.667,879 5.5,880 2.547,881 2.946,882 1.408,883 0.984,884 4.487,885 10.158,886 3.638,887 4.212,888 4.794,889 5.387,890 5.989,891 6.24,892 6.751,893 7.15,894 7.555,895 7.85,896 0.667,897 38,898 9.21,900 3.901,901 7.68,902 17.659,904 14.403,905 2.18,906 54.5,909 1,910 200.109,911 111.608,912 53.481,914 53.683,917 111.608,918 253.792,919 53.481,921 13.396,922 75.81,923 115.811,924 23.199,925 2.328,926 188.338,928 200.109,929 165.089,930 53.683,933 202.437,934 42.683,935 11,937 27.957,938 84.448,939 50.357,941 200.109,942 107.164,943 111.608,946 200.109,947 26.751,948 87.982,950 104.04,951 200.109,952 107.164,953 111.608,955 0.57,956 0.328,957 0.184,958 0.107,959 19,960 7,961 0.065,962 3,964 1,965 3.73,966 213.994,968 24,969 112.096,974 15.854,975 7.076,976 3.566,978 107.164,979 16.43,980 13.786,984 3.929,986 42.683,987 418.881,988 37,999 43.247,1000 48.318,1001 0.29,1002 0.626,1003 0.794,1004 0.906,1005 0.914,1006 0.914,1007 4.848,1008 1.174,1009 5.687,1010 3.542,1011 4.344,1012 4.898,1013 1.235,1014 6.46,1015 4.24,1016 6.025,1017 1,1018 7.212,1019 2.689,1020 3.761,1021 4.477,1022 0.325,1023 7.248,1024 3.603,1025 7.305,1026 1,1027 8.838,1028 2.509,1029 5.889,1030 7.035,1031 0.938,1032 10.364,1033 5.691,1034 8.621,1035 1,1036 10.527,1037 2.473,1038 6.155,1039 7.446,1040 0.268,1041 12.002,1042 5.902,1043 9.97,1044 1,1045 12.256,1046 2.136,1047 7.713,1048 9.447,1049 0.732,1050 14.592,1051 7.423,1052 11.342,1053 -0.383,1054 14.012,1055 2.136,1056 8.392,1057 10.279,1058 0.188,1059 16.577,1060 8.048,1061 12.733,1062 -0.456,1063 15.788,1064 -0.868,1065 9.69,1066 12.004,1067 0.57,1068 18.968,1069 9.308,1070 3.072,1071 -0.491,1072 17.576,1073 -1.194,1074 10.578,1075 13.072,1076 0.125,1077 21.105,1078 10.143,1079 2.738,1080 9.946,1081 19.375,1082 -1.308,1083 11.758,1084 14.647,1085 0.438,1086 23.419,1087 11.282,1088 2.684,1089 8.733,1090 21.18,1091 4.111,1092 12.75,1093 15.853,1094 0.082,1095 25.625,1096 12.223,1097 2.237,1098 8.629,1099 22.991,1100 3.702,1101 13.879,1102 17.346,1103 0.334,1104 27.91,1105 13.309,1106 1.891,1107 6.112,1108 24.806,1109 3.365,1110 14.925,1111 18.633,1112 0.054,1113 30.151,1114 14.304,1115 1.697,1116 4.933,1117 26.625,1118 2.888,1119 16.034,1120 20.082,1121 0.252,1122 32.428,1123 15.368,1124 1.386,1125 4.065,1126 28.446,1127 2.574,1128 17.108,1129 21.417,1130 0.035,1131 34.687,1132 16.391,1133 6452,1134 10653,1135 19.474,1136 29.262,1137 41.989,1138 41.989,1139 41.822,1140 41.804,1141 41.762,1142 54.832,1143 3.32,1144 115.804,1145 39.538,1146 5.424,1147 5.192,1148 6.189,1149 5.126,1150 5.072,1151 7.111,1152 1.72,1153 16.472,1154 4.924,1155 6.38,1156 1.5,1157 1.5,1158 1.494,1159 1.493,1160 1.491,1161 1.958,1162 0.119,1163 4.136,1164 1.412,1165 4.023,1166 4.062,1167 3.987,1168 3.912,1169 6.471,1170 3.924,1171 3.853,1172 3.883,1173 3.795,1174 3.77,1175 5.037,1176 3.773,1177 3.777,1178 3.829,1179 3.687,1180 3.597,1181 4.811,1182 3.612,1183 3.566,1184 3.613,1185 3.482,1186 3.393,1187 4.616,1188 3.407,1189 3.111,1190 3.206,1191 2.913,1192 2.941,1193 4.525,1194 2.91,1195 2.989,1196 3.02,1197 2.866,1198 2.872,1199 3.982,1200 2.874,1201 2.92,1202 2.977,1203 2.837,1204 2.746,1205 3.84,1206 2.75,1207 2.911,1208 2.962,1209 2.779,1210 2.733,1211 3.785,1212 2.738,1213 0.158,1214 0.114,1215 0.228,1216 0.144,1217 0.11,1218 4.424,1219 0.147,1220 3.192,1221 0.031,1222 6.387,1223 0.355,1224 4.023,1225 0.104,1226 3.072,1227 4.111,1228 0.86,1229 9.946,1230 2.924,1231 1.949,1232 1.92,1233 2.03,1234 2.083,1235 1.212,1236 2.067,1237 1.839,1238 1.809,1239 1.952,1240 1.947,1241 1.082,1242 1.95,1243 1.722,1244 1.669,1245 1.911,1246 1.932,1247 0.98,1248 1.929,1249 1.509,1250 1.464,1251 1.647,1252 1.695,1253 0.825,1254 1.684,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.698,1260 1.429,1261 0.959,1262 0.924,1263 1.159,1264 1.158,1265 0.253,1266 1.137,1267 0.883,1268 0.838,1269 1.129,1270 1.119,1271 0.242,1272 1.118,1273 0.863,1274 0.808,1275 1.111,1276 1.08,1277 0.144,1278 1.102,1279 4.043,1281 5.342,1283 6.851,1285 8.448,1287 10.089,1294 9.784,1295 2.949,1297 5.436,1300 2.184,1305 28.203,1306 67.56,1307 146.045,1308 185.329,1309 211.329,1310 213.329,1311 213.329,1312 31.84,1313 7.212,1314 71.37,1315 71.37,1316 24,1317 12.384,1318 4.248,1319 3.322,1320 35.517,1321 82,1322 72,1323 0.217,1324 172.274,1325 292.94,1326 412.11,1327 11536,1329 17.062,1330 0.682,1331 0.547,1332 17.062,1333 13.669,1334 12.293,1335 0.439,1336 0.294,1337 8.091,1338 11.787,1339 7.962,1340 6.544,1341 12.293,1342 8.221,1343 10.815,1344 0.285,1345 0.153,1346 10.815,1347 5.8,1348 9.093,1349 0.182,1350 0.082,1351 9.093,1352 4.079,1353 7.73,1354 0.117,1355 0.043,1356 7.73,1357 2.808,1358 6.608,1359 0.075,1360 0.022,1361 6.608,1362 1.927,1363 0.328,1364 77.18,1365 0.227,1366 23.816,1367 0.636,1368 132,1369 388.466,1370 145.336,1371 374.852,1372 519.4,1373 354,1374 154,1375 385.582,1376 167.783,1377 389.425,1378 570.93,1379 368,1380 7.208}
{0 CHEMBL1644559,1 1.571,2 8.08,3 2.589,4 6.704,5 93.137,6 7.777,7 0.643,8 3.885,9 3.993,10 3.498,11 3.422,12 5.021,13 3.422,14 4.398,15 4.557,16 3.826,17 3.786,18 5.5,19 3.771,20 4.618,21 4.819,22 3.849,23 3.903,24 5.653,25 3.852,26 4.594,27 4.822,28 3.778,29 3.852,30 5.607,31 3.786,32 4.558,33 4.774,34 3.842,35 3.85,36 5.639,37 3.802,38 4.536,39 4.728,40 3.837,41 3.892,42 5.567,43 3.846,44 4.594,45 4.77,46 3.82,47 3.957,48 5.638,49 3.877,50 4.752,51 4.991,52 3.645,53 3.913,54 5.705,55 3.787,56 0.041,57 0.646,58 8.12,59 3.706,60 8.24,61 4.591,62 0.232,63 1.042,64 15.598,65 5.843,66 20.184,67 7.384,68 0.33,69 1.239,70 21.223,71 7.424,72 30.62,73 9.925,74 0.27,75 1.232,76 21.069,77 7.303,78 30.765,79 10.239,80 0.342,81 1.183,82 20.175,83 6.991,84 37.861,85 9.861,86 0.266,87 1.196,88 18.524,89 6.701,90 20.98,91 8.909,92 0.214,93 1.216,94 18.941,95 8.057,96 21.591,97 10.694,98 0.244,99 1.289,100 25.747,101 9.768,102 37.482,103 13.42,104 2,105 38,106 0.272,107 0.597,108 0.763,109 0.85,110 0.858,111 0.858,112 3.268,113 0.88,114 -3.83,115 -3.79,116 -3.6,119 44.2,125 4,142 7,143 2,144 1,145 2,146 1,147 1,149 1,172 6,174 2,175 8,180 2,183 6,186 1,187 6,192 2,195 3,198 2,199 7,204 1,207 3,211 1,212 7,215 2,220 5,223 2,224 4,232 5,236 1,237 5,240 1,242 2,245 5,250 4,255 1,258 2,262 1,263 3,266 1,268 1,271 1,275 842,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 15.288,282 12.611,283 10.569,284 17.843,285 13.897,286 13.897,287 13.897,288 13.897,289 13.897,290 10.812,291 16.024,292 5.101,293 14.674,294 3.855,295 1.975,296 1.015,297 0.512,298 0.465,299 0.465,300 3.971,303 1,304 1,305 1,306 442,307 1.871,311 308.02,318 1.056,319 21.027,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 202,332 4.424,333 3.192,334 6.387,335 4.026,336 3.072,337 4.111,338 0.86,339 9.946,340 2.936,341 4.104,342 2.898,343 6.039,344 3.717,345 2.738,346 3.702,347 0.8,348 8.733,349 2.686,350 3.919,351 2.758,352 6.016,353 3.627,354 2.684,355 3.365,357 8.629,358 2.514,359 3.583,360 2.433,361 5.058,362 3.183,363 2.237,364 2.888,366 6.112,367 2.107,368 3.274,369 2.27,370 4.633,371 2.84,372 1.891,373 2.574,375 4.933,376 1.792,377 2.958,378 1.852,379 4.283,380 2.616,381 1.697,382 2.075,384 4.065,385 1.553,386 2.792,387 1.525,388 4.123,389 2.336,390 1.386,391 1.887,393 3.542,394 1.312,395 2.604,396 1.34,397 3.509,398 2.132,399 1.174,400 1.65,402 2.689,403 1.119,404 2.5,405 1.256,406 3.472,407 1.976,408 1,409 1.5,411 2.509,412 0.974,413 2.5,414 1.09,415 3.469,416 1.954,417 1,418 1.5,420 2.473,421 0.951,422 2.194,423 1,424 3.247,425 1.952,426 1,427 1.165,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.899,434 1,435 1,436 2.136,437 0.893,438 0.99,439 -0.057,440 2.667,441 0.567,442 -0.383,443 -0.493,445 -0.868,446 -0.356,447 0.921,448 -0.322,449 2.6,450 0.478,451 -0.456,452 -0.553,454 -1.194,455 -0.423,456 0.846,457 -0.36,458 2.384,459 0.452,460 -0.491,461 -0.644,463 -1.308,464 -0.464,465 11.767,466 0.471,467 0.465,468 0.019,469 36,470 1.44,471 19,472 0.76,473 17,474 0.68,475 16.834,476 0.673,477 26.033,478 0.605,479 25.382,480 1.015,481 7.209,482 0.288,483 5.084,484 0.203,485 0.028,487 0.289,493 0.92,494 1.364,495 0.742,496 1.08,497 0.913,498 0.918,499 1.196,500 1.073,501 0.945,502 0.933,503 0.77,504 0.901,505 1.133,506 1.103,507 1.017,508 0.942,509 0.985,510 0.955,511 0.8,512 1.036,513 0.936,514 0.952,515 0.852,516 0.949,517 0.691,518 1.025,519 0.801,520 0.85,521 0.665,522 0.835,523 0.975,524 0.928,525 1.039,526 0.927,527 0.805,528 0.961,529 0.673,530 1.205,531 1.109,532 1.31,533 0.746,534 1.286,535 0.854,536 1.056,537 1.099,538 1.234,539 0.933,540 1.211,541 4,542 0.025,543 2.222,544 0.938,545 0.938,546 1.083,547 0.389,548 0.174,549 0.196,550 0.105,551 6844,552 18393,553 2.179,554 41.9,556 15,558 2,559 1,564 1.689,565 2.113,566 3.049,567 -0.317,568 1,569 1,571 1,573 67.56,574 1.571,575 3.451,576 4.411,577 4.915,578 4.961,579 4.961,580 2.272,581 3.684,582 4.615,583 3.202,584 960.497,585 8.029,586 11610.7,588 1,590 1,591 233.329,592 1.078,593 4.606,594 0.143,595 0.005,596 0.058,597 0.025,598 0.027,599 0.029,600 0.01,601 0.005,602 0.007,603 0.007,604 0.315,605 0.5,606 1,607 0.372,608 118.265,609 -0.068,610 -0.245,611 0.055,612 -0.077,613 -0.092,614 -0.009,615 -0.124,616 0.026,617 -0.051,618 0.018,619 -0.007,620 -0.004,621 -0.124,622 -0.071,623 -0.069,624 0.015,625 -0.077,626 -0.015,627 -0.021,628 0.007,629 0.016,630 -0.004,631 -0.028,632 0.011,633 0.144,634 0.02,635 0.147,636 0.104,637 0.168,638 0.122,639 -0.125,640 0.175,641 -0.139,642 0.017,643 -0.107,644 -0.042,645 0.057,646 -0.177,647 -0.238,648 -0.307,649 -0.027,650 -0.319,651 -0.03,652 -0.142,653 -0.114,654 -0.228,655 -0.026,656 -0.187,657 1.471,658 3.786,659 0.96,660 19.558,661 1.006,662 1.124,663 2.6,664 6.76,665 0.681,666 3.367,667 3.664,668 3.932,669 4.205,670 4.489,671 4.533,672 4.745,673 4.86,674 4.977,675 4.99,676 5.401,677 0.656,678 334.41,679 3.367,680 4.89,681 5.733,682 6.6,683 7.462,684 8.337,685 9.209,686 10.089,687 10.966,688 11.849,689 9.3,695 1,699 3,704 9,705 3,709 6,711 18,726 1,728 1,731 43,733 18,734 1,735 28,737 46,738 19,739 15,740 2,741 4,746 4,747 4,761 15,762 4,777 1,778 1,781 18,782 6,783 1,784 6,790 4,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 25,853 1,854 4,856 1,859 1,870 4.7,872 1,874 1,877 11.833,878 7.667,879 5.5,880 2.536,881 2.946,882 1.408,883 0.984,884 4.487,885 10.158,886 3.638,887 4.212,888 4.794,889 5.387,890 5.989,891 6.24,892 6.751,893 7.15,894 7.555,895 7.85,896 0.667,897 38,898 9.207,900 3.897,901 7.68,902 17.659,904 14.412,905 2.18,906 54.5,909 1,910 200.109,911 111.608,912 53.481,914 53.683,917 111.608,918 253.792,919 53.481,921 13.396,922 66.334,923 127.582,924 32.675,925 2.328,926 176.567,928 200.109,929 165.089,930 53.683,933 202.437,934 42.683,935 11,937 34.248,938 78.157,939 50.357,941 200.109,942 107.164,943 111.608,946 200.109,947 27.18,948 87.553,950 104.04,951 200.109,952 107.164,953 111.608,955 0.57,956 0.328,957 0.184,958 0.107,959 19,960 7,961 0.065,962 3,964 1,965 3.73,966 213.994,968 24,969 112.096,974 15.854,975 7.076,976 3.566,978 107.164,979 16.369,980 13.597,984 4.152,986 42.683,987 418.881,988 37,999 43.247,1000 48.318,1001 0.29,1002 0.636,1003 0.813,1004 0.906,1005 0.914,1006 0.914,1007 4.848,1008 1.174,1009 5.687,1010 3.542,1011 4.344,1012 4.898,1013 1.235,1014 6.46,1015 4.243,1016 6.025,1017 1,1018 7.212,1019 2.689,1020 3.761,1021 4.477,1022 0.325,1023 7.248,1024 3.619,1025 7.305,1026 1,1027 8.838,1028 2.509,1029 5.889,1030 7.035,1031 0.938,1032 10.364,1033 5.702,1034 8.621,1035 1,1036 10.527,1037 2.473,1038 6.155,1039 7.446,1040 0.268,1041 12.002,1042 5.93,1043 9.97,1044 1,1045 12.256,1046 2.136,1047 7.713,1048 9.447,1049 0.732,1050 14.592,1051 7.446,1052 11.342,1053 -0.383,1054 14.012,1055 2.136,1056 8.392,1057 10.279,1058 0.188,1059 16.577,1060 8.086,1061 12.733,1062 -0.456,1063 15.788,1064 -0.868,1065 9.69,1066 12.004,1067 0.57,1068 18.968,1069 9.343,1070 3.072,1071 -0.491,1072 17.576,1073 -1.194,1074 10.578,1075 13.072,1076 0.125,1077 21.105,1078 10.19,1079 2.738,1080 9.946,1081 19.375,1082 -1.308,1083 11.758,1084 14.647,1085 0.438,1086 23.419,1087 11.329,1088 2.684,1089 8.733,1090 21.18,1091 4.111,1092 12.75,1093 15.853,1094 0.082,1095 25.625,1096 12.279,1097 2.237,1098 8.629,1099 22.991,1100 3.702,1101 13.879,1102 17.346,1103 0.334,1104 27.91,1105 13.367,1106 1.891,1107 6.112,1108 24.806,1109 3.365,1110 14.925,1111 18.633,1112 0.054,1113 30.151,1114 14.368,1115 1.697,1116 4.933,1117 26.625,1118 2.888,1119 16.034,1120 20.082,1121 0.252,1122 32.428,1123 15.435,1124 1.386,1125 4.065,1126 28.446,1127 2.574,1128 17.108,1129 21.417,1130 0.035,1131 34.687,1132 16.464,1133 6452,1134 10689,1135 19.474,1136 29.262,1137 41.989,1138 41.989,1139 41.822,1140 41.798,1141 41.762,1142 54.832,1143 3.32,1144 115.804,1145 39.566,1146 5.424,1147 5.192,1148 6.189,1149 5.129,1150 5.072,1151 7.111,1152 1.72,1153 16.472,1154 4.936,1155 6.38,1156 1.5,1157 1.5,1158 1.494,1159 1.493,1160 1.491,1161 1.958,1162 0.119,1163 4.136,1164 1.413,1165 4.025,1166 4.063,1167 3.989,1168 3.918,1169 6.471,1170 3.93,1171 3.854,1172 3.884,1173 3.797,1174 3.776,1175 5.028,1176 3.778,1177 3.776,1178 3.828,1179 3.685,1180 3.589,1181 4.833,1182 3.606,1183 3.559,1184 3.608,1185 3.478,1186 3.38,1187 4.616,1188 3.396,1189 3.111,1190 3.206,1191 2.911,1192 2.941,1193 4.529,1194 2.91,1195 2.988,1196 3.019,1197 2.866,1198 2.869,1199 3.995,1200 2.87,1201 2.917,1202 2.975,1203 2.833,1204 2.746,1205 3.842,1206 2.749,1207 2.911,1208 2.962,1209 2.779,1210 2.733,1211 3.767,1212 2.738,1213 0.158,1214 0.114,1215 0.228,1216 0.144,1217 0.11,1218 4.424,1219 0.147,1220 3.192,1221 0.031,1222 6.387,1223 0.355,1224 4.026,1225 0.105,1226 3.072,1227 4.111,1228 0.86,1229 9.946,1230 2.936,1231 1.954,1232 1.925,1233 2.034,1234 2.084,1235 1.213,1236 2.069,1237 1.842,1238 1.814,1239 1.952,1240 1.947,1241 1.086,1242 1.95,1243 1.718,1244 1.664,1245 1.908,1246 1.932,1247 1,1248 1.928,1249 1.496,1250 1.449,1251 1.631,1252 1.691,1253 0.825,1254 1.675,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.666,1260 1.429,1261 0.958,1262 0.921,1263 1.159,1264 1.158,1265 0.252,1266 1.137,1267 0.883,1268 0.838,1269 1.123,1270 1.118,1271 0.241,1272 1.118,1273 0.862,1274 0.808,1275 1.108,1276 1.08,1277 0.137,1278 1.102,1279 4.043,1281 5.342,1283 6.851,1285 8.448,1287 10.089,1294 9.786,1295 2.966,1297 5.439,1300 2.192,1305 28.203,1306 67.56,1307 148.394,1308 189.678,1309 211.329,1310 213.329,1311 213.329,1312 31.821,1313 7.212,1314 71.37,1315 71.37,1316 24,1317 12.384,1318 4.248,1319 3.322,1320 35.517,1321 82,1322 72,1323 0.217,1324 172.274,1325 292.94,1326 412.11,1327 11536,1329 17.062,1330 0.682,1331 0.547,1332 17.062,1333 13.669,1334 12.293,1335 0.439,1336 0.293,1337 8.08,1338 11.782,1339 7.948,1340 6.534,1341 12.293,1342 8.211,1343 10.815,1344 0.285,1345 0.153,1346 10.815,1347 5.826,1348 9.093,1349 0.182,1350 0.082,1351 9.093,1352 4.109,1353 7.73,1354 0.117,1355 0.043,1356 7.73,1357 2.825,1358 6.608,1359 0.075,1360 0.022,1361 6.608,1362 1.936,1363 0.328,1364 77.226,1365 0.227,1366 23.816,1367 0.636,1368 132,1369 388.466,1370 145.003,1371 375.043,1372 518.48,1373 354,1374 154,1375 383.23,1376 167.422,1377 388.027,1378 567.51,1379 366,1380 6.585}
{0 CHEMBL1644560,1 1.571,2 8.08,3 2.589,4 6.704,5 93.137,6 7.777,7 0.643,8 3.885,9 3.993,10 3.498,11 3.422,12 5.021,13 3.422,14 4.398,15 4.557,16 3.826,17 3.786,18 5.502,19 3.771,20 4.618,21 4.819,22 3.846,23 3.908,24 5.648,25 3.856,26 4.591,27 4.814,28 3.775,29 3.865,30 5.595,31 3.796,32 4.577,33 4.797,34 3.844,35 3.864,36 5.656,37 3.811,38 4.543,39 4.736,40 3.832,41 3.897,42 5.555,43 3.85,44 4.596,45 4.772,46 3.82,47 3.968,48 5.645,49 3.886,50 4.75,51 4.98,52 3.644,53 3.943,54 5.687,55 3.805,56 0.041,57 0.646,58 8.12,59 3.706,60 8.24,61 4.591,62 0.232,63 1.042,64 15.598,65 5.843,66 20.478,67 7.384,68 0.339,69 1.237,70 21.258,71 7.429,72 30.79,73 9.914,74 0.234,75 1.225,76 20.77,77 7.403,78 28.215,79 10.34,80 0.369,81 1.203,82 20.719,83 7.246,84 40.338,85 10.209,86 0.225,87 1.194,88 18.728,89 6.736,90 19.438,91 9.029,92 0.272,93 1.225,94 19.006,95 8.128,96 22.872,97 10.685,98 0.169,99 1.27,100 25.196,101 10.496,102 33.216,103 14.315,104 2,105 38,106 0.272,107 0.597,108 0.755,109 0.826,110 0.826,111 0.826,112 3.268,113 0.88,114 -3.83,115 -3.79,116 -3.6,119 44.2,125 4,142 7,143 2,144 1,145 2,146 1,147 1,149 1,172 6,174 2,175 8,180 2,183 6,186 1,187 7,192 2,195 4,198 1,199 5,204 1,207 2,211 2,212 10,215 2,220 6,224 1,232 6,236 3,237 4,240 1,242 2,245 4,250 6,255 2,258 2,263 2,275 842,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 15.288,282 12.611,283 10.569,284 17.852,285 13.897,286 13.897,287 13.897,288 13.897,289 13.897,290 10.812,291 16.024,292 5.101,293 14.68,294 3.855,295 1.975,296 1.062,297 0.651,298 0.651,299 0.651,300 3.971,303 1,304 1,305 1,306 442,307 1.871,311 308.02,318 1.056,319 20.85,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 202,332 4.424,333 3.192,334 6.387,335 4.026,336 3.072,337 4.111,338 0.86,339 9.946,340 2.938,341 4.104,342 2.898,343 6.039,344 3.718,345 2.738,346 3.702,347 0.8,348 8.733,349 2.689,350 3.919,351 2.758,352 6.016,353 3.628,354 2.684,355 3.365,357 8.629,358 2.516,359 3.583,360 2.433,361 5.058,362 3.183,363 2.237,364 2.888,366 6.112,367 2.107,368 3.274,369 2.27,370 4.633,371 2.838,372 1.891,373 2.574,375 4.933,376 1.788,377 2.958,378 1.852,379 4.283,380 2.609,381 1.697,382 2.075,384 4.065,385 1.542,386 2.792,387 1.525,388 4.123,389 2.334,390 1.386,391 1.887,393 3.542,394 1.309,395 2.604,396 1.34,397 3.509,398 2.124,399 1.174,400 1.65,402 2.689,403 1.109,404 2.5,405 1.256,406 3.472,407 1.984,408 1,409 1.5,411 2.509,412 0.983,413 2.5,414 1.09,415 3.469,416 1.966,417 1,418 1.5,420 2.473,421 0.963,422 2.194,423 1,424 3.247,425 1.952,426 1,427 1.165,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.896,434 1,435 1,436 2.136,437 0.891,438 0.99,439 -0.057,440 2.667,441 0.567,442 -0.383,443 -0.493,445 -0.868,446 -0.356,447 0.921,448 -0.322,449 2.6,450 0.482,451 -0.456,452 -0.553,454 -1.194,455 -0.424,456 0.846,457 -0.36,458 2.384,459 0.452,460 -0.491,461 -0.644,463 -1.308,464 -0.465,465 11.767,466 0.471,467 0.465,468 0.019,469 36,470 1.44,471 19,472 0.76,473 17,474 0.68,475 16.849,476 0.674,477 26.033,478 0.605,479 25.367,480 1.015,481 7.21,482 0.288,483 5.083,484 0.203,485 0.028,487 0.289,493 0.92,494 1.364,495 0.742,496 1.08,497 0.913,498 0.918,499 1.196,500 1.073,501 0.945,502 0.933,503 0.765,504 0.901,505 1.143,506 1.055,507 1.023,508 0.915,509 0.994,510 0.94,511 0.791,512 1.102,513 0.947,514 1.002,515 0.85,516 0.987,517 0.649,518 0.952,519 0.802,520 0.838,521 0.641,522 0.836,523 1.011,524 1.026,525 1.03,526 0.943,527 0.799,528 0.958,529 0.652,530 1.025,531 1.138,532 1.253,533 0.747,534 1.271,535 0.679,536 1.157,537 1.057,538 1.369,539 0.819,540 1.304,541 4,542 0.025,543 2.222,544 0.938,545 0.938,546 1.083,547 0.389,548 0.174,549 0.196,550 0.105,551 6844,552 18533,553 2.179,554 41.9,556 15,558 2,559 1,564 1.689,565 2.113,566 3.049,567 -0.317,568 1,569 1,571 1,573 67.56,574 1.571,575 3.451,576 4.365,577 4.775,578 4.775,579 4.775,580 2.272,581 3.684,582 4.615,583 3.202,584 960.497,585 8.029,586 11610.7,588 1,590 1,591 233.329,592 1.078,593 4.606,594 0.143,595 0.005,596 0.058,597 0.025,598 0.027,599 0.029,600 0.01,601 0.005,602 0.007,603 0.007,604 0.315,605 0.5,606 1,607 0.372,608 118.265,609 -0.068,610 -0.245,611 0.055,612 -0.077,613 -0.092,614 -0.009,615 -0.124,616 0.026,617 -0.051,618 0.018,619 -0.001,620 -0.004,621 -0.135,622 -0.022,623 -0.076,624 0.043,625 -0.086,627 -0.043,628 -0.067,629 -0.007,630 -0.043,631 -0.048,632 -0.02,633 0.177,634 0.087,635 0.15,636 0.119,637 0.185,638 0.127,639 -0.181,640 0.064,641 -0.128,642 0.007,643 -0.115,644 -0.03,645 0.09,646 0.016,647 -0.269,648 -0.253,649 -0.03,650 -0.31,651 0.05,652 -0.28,653 -0.093,654 -0.326,655 0.028,656 -0.25,657 1.469,658 3.788,659 0.96,660 19.558,661 1.006,662 1.124,663 2.6,664 6.76,665 0.681,666 3.367,667 3.664,668 3.932,669 4.205,670 4.489,671 4.533,672 4.745,673 4.86,674 4.977,675 4.99,676 5.401,677 0.656,678 334.41,679 3.367,680 4.89,681 5.733,682 6.6,683 7.462,684 8.337,685 9.209,686 10.089,687 10.966,688 11.849,689 9.3,695 1,699 3,704 9,705 3,709 6,711 18,726 1,728 1,731 43,733 18,734 1,735 28,737 46,738 19,739 15,740 2,741 4,746 4,747 4,761 15,762 4,777 1,778 1,781 18,782 6,783 1,784 6,790 4,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 25,853 1,854 4,856 1,859 1,870 4.7,872 1,874 1,877 11.833,878 7.667,879 5.5,880 2.536,881 2.946,882 1.408,883 0.984,884 4.487,885 10.158,886 3.638,887 4.212,888 4.794,889 5.387,890 5.989,891 6.24,892 6.751,893 7.15,894 7.555,895 7.85,896 0.667,897 38,898 9.206,900 3.895,901 7.68,902 17.659,904 14.412,905 2.18,906 54.5,909 1,910 200.109,911 111.608,912 53.481,914 53.683,917 111.608,918 253.792,919 53.481,921 13.396,922 66.334,923 127.582,924 32.675,925 2.328,926 176.567,928 200.109,929 165.089,930 53.683,933 202.437,934 42.683,935 11,937 34.248,938 78.157,939 50.357,941 200.109,942 107.164,943 111.608,946 200.109,947 27.18,948 87.553,950 104.04,951 200.109,952 107.164,953 111.608,955 0.57,956 0.328,957 0.184,958 0.107,959 19,960 7,961 0.065,962 3,964 1,965 3.73,966 213.994,968 24,969 108.096,974 15.854,975 7.076,976 3.566,978 107.164,979 16.353,980 13.5,984 4.245,986 42.683,987 418.881,988 37,999 43.247,1000 48.318,1001 0.29,1002 0.636,1003 0.804,1004 0.88,1005 0.88,1006 0.88,1007 4.848,1008 1.174,1009 5.687,1010 3.542,1011 4.344,1012 4.898,1013 1.235,1014 6.46,1015 4.243,1016 6.025,1017 1,1018 7.212,1019 2.689,1020 3.761,1021 4.477,1022 0.325,1023 7.248,1024 3.619,1025 7.305,1026 1,1027 8.838,1028 2.509,1029 5.889,1030 7.035,1031 0.938,1032 10.364,1033 5.704,1034 8.621,1035 1,1036 10.527,1037 2.473,1038 6.155,1039 7.446,1040 0.268,1041 12.002,1042 5.932,1043 9.97,1044 1,1045 12.256,1046 2.136,1047 7.713,1048 9.447,1049 0.732,1050 14.592,1051 7.449,1052 11.342,1053 -0.383,1054 14.012,1055 2.136,1056 8.392,1057 10.279,1058 0.188,1059 16.577,1060 8.091,1061 12.733,1062 -0.456,1063 15.788,1064 -0.868,1065 9.69,1066 12.004,1067 0.57,1068 18.968,1069 9.349,1070 3.072,1071 -0.491,1072 17.576,1073 -1.194,1074 10.578,1075 13.072,1076 0.125,1077 21.105,1078 10.196,1079 2.738,1080 9.946,1081 19.375,1082 -1.308,1083 11.758,1084 14.647,1085 0.438,1086 23.419,1087 11.336,1088 2.684,1089 8.733,1090 21.18,1091 4.111,1092 12.75,1093 15.853,1094 0.082,1095 25.625,1096 12.287,1097 2.237,1098 8.629,1099 22.991,1100 3.702,1101 13.879,1102 17.346,1103 0.334,1104 27.91,1105 13.375,1106 1.891,1107 6.112,1108 24.806,1109 3.365,1110 14.925,1111 18.633,1112 0.054,1113 30.151,1114 14.378,1115 1.697,1116 4.933,1117 26.625,1118 2.888,1119 16.034,1120 20.082,1121 0.252,1122 32.428,1123 15.445,1124 1.386,1125 4.065,1126 28.446,1127 2.574,1128 17.108,1129 21.417,1130 0.035,1131 34.687,1132 16.475,1133 6452,1134 10727,1135 19.474,1136 29.262,1137 41.989,1138 41.989,1139 41.822,1140 41.801,1141 41.762,1142 54.832,1143 3.32,1144 115.804,1145 39.562,1146 5.424,1147 5.192,1148 6.189,1149 5.13,1150 5.072,1151 7.111,1152 1.72,1153 16.472,1154 4.938,1155 6.38,1156 1.5,1157 1.5,1158 1.494,1159 1.493,1160 1.491,1161 1.958,1162 0.119,1163 4.136,1164 1.413,1165 4.026,1166 4.064,1167 3.99,1168 3.92,1169 6.471,1170 3.931,1171 3.855,1172 3.884,1173 3.797,1174 3.778,1175 5.026,1176 3.779,1177 3.775,1178 3.828,1179 3.685,1180 3.586,1181 4.84,1182 3.604,1183 3.556,1184 3.605,1185 3.476,1186 3.371,1187 4.616,1188 3.389,1189 3.111,1190 3.206,1191 2.908,1192 2.941,1193 4.53,1194 2.91,1195 2.985,1196 3.016,1197 2.866,1198 2.852,1199 4.01,1200 2.856,1201 2.911,1202 2.963,1203 2.812,1204 2.745,1205 3.842,1206 2.746,1207 2.878,1208 2.941,1209 2.778,1210 2.735,1211 3.674,1212 2.715,1213 0.158,1214 0.114,1215 0.228,1216 0.144,1217 0.11,1218 4.424,1219 0.147,1220 3.192,1221 0.031,1222 6.387,1223 0.355,1224 4.026,1225 0.105,1226 3.072,1227 4.111,1228 0.86,1229 9.946,1230 2.938,1231 1.955,1232 1.926,1233 2.035,1234 2.084,1235 1.214,1236 2.069,1237 1.843,1238 1.816,1239 1.953,1240 1.947,1241 1.087,1242 1.95,1243 1.717,1244 1.662,1245 1.907,1246 1.932,1247 1.006,1248 1.928,1249 1.488,1250 1.44,1251 1.619,1252 1.688,1253 0.825,1254 1.671,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.645,1260 1.429,1261 0.944,1262 0.907,1263 1.181,1264 1.158,1265 0.252,1266 1.137,1267 0.886,1268 0.838,1269 1.155,1270 1.114,1271 0.218,1272 1.118,1273 0.883,1274 0.821,1275 1.113,1276 1.062,1277 0.204,1278 1.107,1279 4.043,1281 5.342,1283 6.851,1285 8.448,1287 10.089,1294 9.788,1295 2.977,1297 5.44,1300 2.197,1305 28.203,1306 67.56,1307 148.394,1308 187.678,1309 205.329,1310 205.329,1311 205.329,1312 31.615,1313 7.212,1314 71.37,1315 71.37,1316 24,1317 12.384,1318 4.248,1319 3.322,1320 35.517,1321 82,1322 72,1323 0.217,1324 172.274,1325 292.94,1326 412.11,1327 11536,1329 17.062,1330 0.682,1331 0.547,1332 17.062,1333 13.669,1334 12.293,1335 0.439,1336 0.293,1337 8.08,1338 11.778,1339 7.948,1340 6.532,1341 12.293,1342 8.211,1343 10.815,1344 0.285,1345 0.153,1346 10.815,1347 5.821,1348 9.093,1349 0.182,1350 0.083,1351 9.093,1352 4.128,1353 7.73,1354 0.117,1355 0.043,1356 7.73,1357 2.834,1358 6.608,1359 0.075,1360 0.022,1361 6.608,1362 1.935,1363 0.328,1364 77.226,1365 0.227,1366 23.816,1367 0.636,1368 132,1369 388.466,1370 145.003,1371 374.912,1372 518.44,1373 354,1374 154,1375 383.23,1376 167.256,1377 387.731,1378 567.07,1379 366,1380 6.854}
{0 CHEMBL1644561,1 1.636,2 8.808,3 4.404,4 19.397,5 100.098,6 8.36,7 0.621,8 3.905,9 4.004,10 3.574,11 3.485,12 5.031,13 3.472,14 4.421,15 4.568,16 3.94,17 3.862,18 5.536,19 3.833,20 4.661,21 4.852,22 3.97,23 3.987,24 5.715,25 3.92,26 4.626,27 4.843,28 3.847,29 3.917,30 5.641,31 3.838,32 4.587,33 4.801,34 3.898,35 3.903,36 5.657,37 3.844,38 4.567,39 4.751,40 3.955,41 3.954,42 5.611,43 3.901,44 4.628,45 4.795,46 3.936,47 4.037,48 5.676,49 3.947,50 4.78,51 5.001,52 3.859,53 4.023,54 5.746,55 3.884,56 0.05,57 0.616,58 7.479,59 3.85,60 8.065,61 4.623,62 0.229,63 1.02,64 15.175,65 6.359,66 19.573,67 7.668,68 0.376,69 1.24,70 24.012,71 8.389,72 34.649,73 10.521,74 0.288,75 1.239,76 23.249,77 8.082,78 32.809,79 10.699,80 0.362,81 1.201,82 20.486,83 7.593,84 39.023,85 10.28,86 0.272,87 1.187,88 18.871,89 7.107,90 23.368,91 9.103,92 0.26,93 1.206,94 19.684,95 8.512,96 22.874,97 10.87,98 0.27,99 1.276,100 27.12,101 11.129,102 36.423,103 14.784,104 5,105 40,106 0.282,107 0.592,108 0.724,109 0.82,110 0.831,111 0.831,112 3.305,113 0.914,114 -5.05,115 -4.95,116 -4.64,119 45.5,125 4,142 9,143 2,144 2,146 1,147 1,149 1,172 8,174 2,175 6,180 2,183 11,186 1,187 6,192 2,195 8,198 1,199 7,204 1,207 5,211 1,212 9,215 2,220 6,224 6,232 9,236 1,237 3,240 1,242 2,245 8,250 6,255 2,258 5,263 3,268 2,271 4,275 936,276 17.809,277 17.809,278 17.809,279 17.809,280 17.809,281 15.711,282 14.213,283 10.656,284 18.362,285 14.363,286 14.363,287 14.363,288 14.363,289 14.363,290 11.217,291 16.665,292 5.138,293 15.322,294 3.824,295 2.024,296 1.256,297 0.699,298 0.636,299 0.636,300 4.006,301 1,304 1,305 1,306 499,307 2,311 325.192,318 1.222,319 22.607,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.833,331 229,332 4.427,333 3.195,334 6.388,335 4.029,336 3.075,337 4.117,338 0.86,339 9.948,340 2.941,341 4.126,342 2.962,343 6.04,344 3.73,345 2.749,346 3.739,347 0.8,348 8.738,349 2.697,350 3.955,351 2.881,352 6.019,353 3.642,354 2.706,355 3.455,357 8.644,358 2.524,359 3.652,360 2.682,361 5.085,362 3.234,363 2.32,364 2.957,366 6.214,367 2.122,368 3.535,369 2.408,370 5.013,371 3.106,372 2.18,373 2.873,375 5.974,376 1.953,377 3.056,378 2.269,379 4.58,380 2.736,381 1.817,382 2.204,384 4.767,385 1.648,386 2.8,387 1.706,388 4.209,389 2.384,390 1.462,391 1.887,393 3.793,394 1.335,395 2.73,396 1.354,397 4.093,398 2.239,399 1.274,400 1.821,402 3.398,403 1.208,404 2.534,405 1.298,406 3.491,407 2.023,408 1.077,409 1.55,411 2.598,412 1.013,413 2.5,414 1.256,415 3.469,416 2,417 1,418 1.5,420 2.476,421 1,422 2.195,423 1.038,424 3.414,425 1.952,426 1,427 1.167,428 2.275,429 0.946,430 2,431 1,432 3.247,433 1.911,434 1,435 1,436 2.136,437 0.902,438 1.179,439 0.359,440 2.696,441 0.714,442 -0.15,443 -0.189,445 -0.34,446 -0.105,447 0.981,448 -0.057,449 2.646,450 0.561,451 -0.384,452 -0.493,454 -0.869,455 -0.357,456 0.847,457 -0.324,458 2.435,459 0.453,460 -0.479,461 -0.563,463 -1.254,464 -0.443,465 12.581,466 0.484,467 0.571,468 0.022,469 36.25,470 1.394,471 19,472 0.731,473 17.25,474 0.663,475 19.086,476 0.734,477 27.019,478 0.614,479 26.051,480 1.002,481 7.201,482 0.277,483 5.486,484 0.211,485 0.083,487 0.31,493 0.847,494 1.276,495 0.609,496 0.953,497 0.87,498 0.861,499 1.07,500 1.072,501 0.752,502 0.874,503 0.686,504 0.876,505 1.127,506 1.08,507 0.996,508 0.922,509 0.979,510 0.951,511 0.835,512 1.099,513 0.913,514 0.973,515 0.883,516 0.981,517 0.627,518 0.999,519 0.597,520 0.771,521 0.621,522 0.802,523 0.901,524 1.014,525 0.788,526 0.881,527 0.712,528 0.922,529 0.72,530 1.098,531 0.978,532 1.177,533 0.776,534 1.225,535 0.604,536 1.09,537 0.822,538 1.246,539 0.759,540 1.232,541 5,542 0.091,543 2.667,544 1,545 1.129,546 1.194,547 0.468,548 0.269,549 0.315,550 0.176,551 7581,552 22462,553 2.148,554 40.9,556 17,559 1,564 1.699,565 2.053,566 3.136,567 -0.332,569 1,573 71.963,574 1.636,575 3.435,576 4.203,577 4.76,578 4.823,579 4.823,580 2.457,581 3.95,582 4.67,583 3.284,584 1067.41,585 8.14,586 13226.8,588 1,590 1,591 240.215,592 1.239,593 4.65,594 0.172,595 0.01,596 0.067,597 0.025,598 0.031,599 0.031,600 0.012,601 0.007,602 0.01,603 0.009,604 0.374,605 0.5,606 1,607 0.465,608 124.988,609 -0.065,610 -0.179,611 0.023,612 -0.039,613 -0.11,614 0.005,615 -0.092,616 0.021,617 -0.011,618 0.032,619 0.029,621 -0.138,622 -0.039,623 -0.092,624 0.016,625 -0.078,626 -0.021,627 -0.073,628 -0.036,629 -0.064,630 -0.049,631 -0.079,632 -0.031,633 0.133,634 0.076,635 0.119,636 0.135,637 0.145,638 0.14,639 -0.108,640 0.099,641 -0.047,642 0.015,643 -0.048,644 -0.021,645 0.009,646 -0.063,647 -0.199,648 -0.231,649 -0.07,650 -0.289,651 0.124,652 -0.194,653 0.025,654 -0.24,655 0.062,656 -0.193,657 1.476,658 3.812,659 0.923,660 21.692,661 1.008,662 1.118,663 3.823,664 14.612,665 0.702,666 3.401,667 3.714,668 3.97,669 4.234,670 4.533,671 4.595,672 4.779,673 4.92,674 5.056,675 5.094,676 5.621,677 0.671,678 367.86,679 3.401,680 4.934,681 5.778,682 6.648,683 7.51,684 8.387,685 9.259,686 10.14,687 11.018,688 11.902,689 6.8,695 1,699 2,704 9,705 2,709 7,711 18,726 1,728 1,730 1,731 44,733 18,734 2,735 29,737 47,738 20,739 16,740 4,741 8,746 4,747 4,748 1,761 16,762 4,778 1,781 18,782 5,783 1,784 6,785 1,790 3,794 1,795 2,806 1,812 4,839 1,840 4,845 1,848 26,853 1,854 4,856 1,859 1,869 1,870 4.5,872 1,874 1,877 12.667,878 7.86,879 5.667,880 2.605,881 2.972,882 1.407,883 0.986,884 4.956,885 10.276,886 3.664,887 4.256,888 4.83,889 5.418,890 6.031,891 6.307,892 6.786,893 7.208,894 7.628,895 7.95,896 0.833,897 40,898 9.577,900 4.071,901 7.703,902 18.35,904 15.073,905 2.203,906 57.278,909 1,910 200.109,911 115.967,912 36.695,913 39.149,914 53.683,917 115.967,918 292.941,919 36.695,921 13.396,922 85.286,923 87.254,924 18.081,925 2.328,926 200.109,927 39.149,928 200.109,929 152.662,930 53.683,931 39.149,933 202.437,934 42.683,935 11,937 16.153,938 100.61,939 72.72,941 200.109,942 90.379,943 155.115,946 200.109,947 30.681,948 88.411,950 126.403,951 200.109,952 90.379,953 155.115,955 0.578,956 0.329,957 0.177,958 0.106,959 20,960 8,961 0.064,962 3,964 1,965 3.789,966 225.791,968 24,969 114.211,974 17.132,975 7.522,976 3.947,978 90.379,979 16.56,980 9.45,984 4.862,986 42.683,987 445.603,988 38,999 44.353,1000 49.179,1001 0.3,1002 0.629,1003 0.77,1004 0.872,1005 0.883,1006 0.883,1007 4.887,1008 1.274,1009 5.746,1010 3.793,1011 4.394,1012 4.942,1013 1.235,1014 6.524,1015 4.277,1016 6.077,1017 1.077,1018 7.279,1019 3.398,1020 3.892,1021 4.62,1022 0.325,1023 7.322,1024 3.681,1025 7.367,1026 1,1027 8.908,1028 2.598,1029 5.953,1030 7.097,1031 0.938,1032 10.414,1033 5.743,1034 8.69,1035 1,1036 10.596,1037 2.476,1038 6.256,1039 7.566,1040 0.268,1041 12.038,1042 5.972,1043 10.044,1044 1,1045 12.32,1046 2.275,1047 7.777,1048 9.516,1049 0.732,1050 14.622,1051 7.486,1052 11.419,1053 -0.15,1054 14.071,1055 2.136,1056 8.468,1057 10.381,1058 0.188,1059 16.595,1060 8.119,1061 12.81,1062 -0.384,1063 15.839,1064 -0.34,1065 9.748,1066 12.075,1067 0.57,1068 18.985,1069 9.38,1070 3.075,1071 -0.479,1072 17.621,1073 -0.869,1074 10.637,1075 13.16,1076 0.125,1077 21.116,1078 10.22,1079 2.749,1080 9.948,1081 19.413,1082 -1.254,1083 11.808,1084 14.717,1085 0.438,1086 23.429,1087 11.364,1088 2.706,1089 8.738,1090 21.213,1091 4.117,1092 12.799,1093 15.931,1094 0.082,1095 25.634,1096 12.309,1097 2.32,1098 8.644,1099 23.02,1100 3.739,1101 13.923,1102 17.414,1103 0.334,1104 27.919,1105 13.401,1106 2.18,1107 6.214,1108 24.831,1109 3.455,1110 14.967,1111 18.705,1112 0.054,1113 30.158,1114 14.401,1115 1.817,1116 5.974,1117 26.646,1118 2.957,1119 16.073,1120 20.148,1121 0.252,1122 32.435,1123 15.47,1124 1.462,1125 4.767,1126 28.464,1127 2.873,1128 17.145,1129 21.484,1130 0.035,1131 34.693,1132 16.498,1133 7189,1134 12488,1135 19.879,1136 30.875,1137 43.572,1138 44.029,1139 43.891,1140 43.544,1141 43.316,1142 56.543,1143 3.32,1144 121.922,1145 40.578,1146 5.427,1147 5.195,1148 6.19,1149 5.132,1150 5.075,1151 7.117,1152 1.72,1153 16.475,1154 4.941,1155 9.412,1156 1.502,1157 1.518,1158 1.513,1159 1.502,1160 1.494,1161 1.95,1162 0.114,1163 4.204,1164 1.399,1165 4.033,1166 4.067,1167 4.042,1168 3.943,1169 6.471,1170 3.949,1171 3.872,1172 3.893,1173 3.902,1174 3.819,1175 5.028,1176 3.813,1177 3.785,1178 3.833,1179 3.73,1180 3.614,1181 4.889,1182 3.629,1183 3.572,1184 3.614,1185 3.541,1186 3.402,1187 4.616,1188 3.414,1189 3.111,1190 3.206,1191 3.252,1192 2.941,1193 4.541,1194 2.91,1195 2.993,1196 3.02,1197 2.898,1198 2.892,1199 4.287,1200 2.89,1201 2.936,1202 2.978,1203 2.866,1204 2.768,1205 3.94,1206 2.774,1207 2.911,1208 2.962,1209 2.781,1210 2.745,1211 3.717,1212 2.745,1213 0.153,1214 0.11,1215 0.22,1216 0.139,1217 0.106,1218 4.427,1219 0.142,1220 3.195,1221 0.03,1222 6.388,1223 0.343,1224 4.029,1225 0.101,1226 3.075,1227 4.117,1228 0.86,1229 9.948,1230 2.941,1231 1.969,1232 1.943,1233 2.043,1234 2.084,1235 1.216,1236 2.072,1237 1.869,1238 1.849,1239 1.967,1240 1.947,1241 1.113,1242 1.956,1243 1.73,1244 1.68,1245 1.916,1246 1.932,1247 1.058,1248 1.934,1249 1.51,1250 1.467,1251 1.632,1252 1.69,1253 0.825,1254 1.679,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.698,1260 1.429,1261 0.957,1262 0.926,1263 1.181,1264 1.158,1265 0.252,1266 1.137,1267 0.886,1268 0.838,1269 1.155,1270 1.115,1271 0.227,1272 1.118,1273 0.883,1274 0.821,1275 1.114,1276 1.062,1277 0.218,1278 1.107,1279 4.078,1281 5.389,1283 6.903,1285 8.502,1287 10.144,1290 6.014,1294 9.812,1295 2.941,1297 5.447,1300 2.191,1305 29.536,1306 71.963,1307 151.156,1308 184.931,1309 209.46,1310 212.215,1311 212.215,1312 35.553,1313 7.304,1314 58.48,1315 58.48,1316 24,1317 12.436,1318 4.248,1319 3.322,1320 37.638,1321 89,1322 90,1323 0.213,1324 183.405,1325 314.45,1326 439.269,1327 12883,1328 2.3,1329 17.933,1330 0.69,1331 0.571,1332 18.433,1333 14.856,1334 12.687,1335 0.437,1336 0.305,1337 8.377,1338 11.942,1339 8.196,1340 6.716,1341 12.975,1342 8.838,1343 11.437,1344 0.286,1345 0.163,1346 11.845,1347 6.528,1348 9.504,1349 0.183,1350 0.087,1351 9.792,1352 4.544,1353 7.882,1354 0.116,1355 0.045,1356 8.049,1357 3.058,1358 6.832,1359 0.074,1360 0.024,1361 7.046,1362 2.17,1363 0.323,1364 82.264,1365 0.224,1366 24.669,1367 0.618,1368 138,1369 403.024,1370 165.135,1371 419.895,1372 568.43,1373 394,1374 161,1375 395.98,1376 182.682,1377 410.896,1378 602.21,1379 388,1380 6.161}
{0 CHEMBL1644562,1 1.717,2 8.852,3 5.069,4 25.691,5 104.903,6 9.143,7 0.6,8 3.911,9 4.003,10 3.651,11 3.511,12 5.054,13 3.498,14 4.428,15 4.566,16 4.046,17 3.898,18 5.568,19 3.868,20 4.674,21 4.85,22 4.211,23 4.043,24 5.797,25 3.974,26 4.635,27 4.841,28 3.967,29 3.957,30 5.685,31 3.878,32 4.597,33 4.8,34 4.021,35 3.937,36 5.715,37 3.879,38 4.577,39 4.75,40 4.063,41 3.993,42 5.651,43 3.939,44 4.638,45 4.793,46 4.107,47 4.071,48 5.737,49 3.987,50 4.791,51 4.999,52 4.076,53 4.082,54 5.801,55 3.95,56 0.083,57 0.605,58 6.13,59 3.708,60 9.522,61 4.274,62 0.284,63 1.004,64 13.626,65 6.304,66 20.155,67 7.203,68 0.511,69 1.221,70 27.451,71 8.663,72 42.062,73 10.111,74 0.375,75 1.224,76 23.842,77 8.312,78 37.443,79 10.411,80 0.455,81 1.181,82 21.413,83 7.793,84 44.446,85 10.043,86 0.346,87 1.168,88 18.408,89 7.19,90 27.143,91 8.611,92 0.365,93 1.178,94 18.422,95 8.349,96 26.043,97 10.335,98 0.362,99 1.253,100 27.046,101 11.352,102 38.609,103 14.616,104 10,105 42,106 0.296,107 0.611,108 0.744,109 0.846,110 0.862,111 0.862,112 3.341,113 0.932,114 -5.27,115 -5.16,116 -4.83,119 45.5,125 4,142 8,143 2,144 3,146 1,147 1,149 1,172 7,174 2,175 6,180 2,183 9,186 1,187 6,192 2,195 10,198 1,199 6,204 1,207 5,211 1,212 10,215 2,220 7,224 4,232 8,236 1,237 5,240 1,242 2,245 7,250 6,255 2,258 6,263 2,268 1,271 4,275 1065,276 18.309,277 18.309,278 18.309,279 18.309,280 18.309,281 16.158,282 14.779,283 10.825,284 18.96,285 14.831,286 14.831,287 14.831,288 14.831,289 14.831,290 11.603,291 16.931,292 5.196,293 16.03,294 3.743,295 1.909,296 1.136,297 0.545,298 0.455,299 0.455,300 4.039,301 2,304 1,305 1,306 518,307 2.121,311 339.713,318 1.213,319 26.773,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.167,331 239,332 4.442,333 3.324,334 6.397,335 4.039,336 3.086,337 4.141,338 0.86,339 9.978,340 2.946,341 4.218,342 3.179,343 6.104,344 3.783,345 2.844,346 3.862,347 0.8,348 8.912,349 2.708,350 4.014,351 2.891,352 6.032,353 3.667,354 2.725,355 3.553,357 8.699,358 2.534,359 3.756,360 2.699,361 5.779,362 3.386,363 2.487,364 3.063,366 7.674,367 2.159,368 3.556,369 2.408,370 5.054,371 3.15,372 2.207,373 2.88,375 6.091,376 2.037,377 3.061,378 2.269,379 4.602,380 2.742,381 1.819,382 2.213,384 4.801,385 1.662,386 2.822,387 2.14,388 4.238,389 2.387,390 1.462,391 1.951,393 3.83,394 1.34,395 2.799,396 1.69,397 4.114,398 2.307,399 1.414,400 1.887,402 3.537,403 1.226,404 2.73,405 1.35,406 4.022,407 2.238,408 1.273,409 1.821,411 3.383,412 1.184,413 2.534,414 1.283,415 3.491,416 2.023,417 1.077,418 1.55,420 2.599,421 1.013,422 2.195,423 1.256,424 3.469,425 1.952,426 1,427 1.167,428 2.476,429 0.946,430 2,431 1.037,432 3.247,433 1.911,434 1,435 1,436 2.136,437 0.902,438 1.387,439 0.664,440 2.776,441 0.879,442 0.115,443 0.14,445 0.255,446 0.07,447 0.984,448 -0.057,449 2.656,450 0.563,451 -0.384,452 -0.493,454 -0.869,455 -0.356,456 0.854,457 -0.077,458 2.476,459 0.453,460 -0.473,461 -0.558,463 -1.243,464 -0.39,465 13.295,466 0.492,467 0.661,468 0.024,469 37,470 1.37,471 19,472 0.704,473 18,474 0.667,475 21.472,476 0.795,477 28.105,478 0.639,479 26.987,480 1,481 7.289,482 0.27,483 5.809,484 0.215,485 0.133,487 0.331,493 0.806,494 1.275,495 0.538,496 0.879,497 0.825,498 0.817,499 1.014,500 1.065,501 0.661,502 0.797,503 0.671,504 0.823,505 1.046,506 1.078,507 0.83,508 0.853,509 0.911,510 0.91,511 0.838,512 1.099,513 0.858,514 0.938,515 0.876,516 0.967,517 0.612,518 1.01,519 0.61,520 0.778,521 0.6,522 0.803,523 0.904,524 1.011,525 0.773,526 0.85,527 0.743,528 0.906,529 0.628,530 1.115,531 0.829,532 1.145,533 0.719,534 1.194,535 0.629,536 1.078,537 0.741,538 1.141,539 0.739,540 1.162,541 5.5,542 0.115,543 3.111,544 1.188,545 1.4,546 1.194,547 0.49,548 0.422,549 0.389,550 0.234,551 8238,552 27109,553 2.12,554 38.6,556 16,559 1,564 1.71,565 2,566 3.144,567 -0.309,573 75.535,574 1.717,575 3.55,576 4.323,577 4.914,578 5.005,579 5.005,580 2.45,581 4.533,582 4.726,583 3.3,584 1158.25,585 8.252,586 14754.7,588 1,591 240.215,592 1.352,593 4.694,594 0.183,595 0.01,596 0.074,597 0.028,598 0.037,599 0.029,600 0.012,601 0.01,602 0.011,603 0.01,604 0.403,605 0.5,606 1,607 0.528,608 131.375,609 -0.075,610 -0.179,611 0.009,612 -0.033,613 -0.111,614 0.004,615 -0.104,616 0.031,617 0.007,618 0.07,619 0.018,620 0.029,621 -0.082,622 -0.035,623 0.052,624 0.077,625 -0.018,626 0.013,627 -0.087,628 -0.029,629 -0.052,630 -0.025,631 -0.087,632 -0.017,633 0.142,634 0.071,635 0.104,636 0.119,637 0.16,638 0.137,639 -0.13,640 0.106,641 -0.058,642 0.023,643 -0.077,644 -0.021,645 0.096,646 -0.08,647 -0.095,648 -0.235,649 -0.02,650 -0.277,651 0.121,652 -0.18,653 0.102,654 -0.14,655 0.084,656 -0.113,657 1.496,658 3.831,659 0.889,660 22.724,661 1.015,662 1.116,663 4.041,664 16.332,665 0.721,666 3.434,667 3.761,668 4.025,669 4.277,670 4.575,671 4.644,672 4.836,673 4.977,674 5.13,675 5.182,676 5.72,677 0.69,678 402.3,679 3.434,680 4.977,681 5.826,682 6.701,683 7.569,684 8.449,685 9.326,686 10.21,687 11.091,688 11.977,689 6.8,695 1,699 2,704 8,705 2,709 8,711 18,726 1,728 1,730 2,731 44,733 18,734 2,735 30,737 47,738 20,739 16,740 5,741 7,746 4,747 4,748 2,761 16,762 4,781 17,782 5,783 1,784 7,785 2,790 3,794 1,795 2,806 1,812 4,839 1,840 4,845 2,848 27,853 1,854 4,856 1,859 1,869 2,870 4.5,872 1,874 1,877 13.5,878 7.919,879 5.861,880 2.592,881 3.001,882 1.406,883 0.984,884 5.389,885 10.39,886 3.689,887 4.297,888 4.877,889 5.457,890 6.071,891 6.361,892 6.839,893 7.259,894 7.697,895 8.025,896 0.833,897 43,898 9.941,900 4.251,901 7.761,902 18.911,904 15.555,905 2.261,906 61.056,909 1,910 188.338,911 109.991,912 36.695,913 78.297,914 53.683,917 109.991,918 320.318,919 36.695,921 13.396,922 75.81,923 87.254,924 21.581,925 2.328,926 188.338,927 78.297,928 188.338,929 146.686,930 53.683,931 78.297,933 190.666,934 42.683,935 11,937 16.153,938 94.635,939 111.868,941 188.338,942 90.379,943 188.288,946 188.338,947 34.181,948 78.934,950 165.552,951 188.338,952 90.379,953 188.288,955 0.584,956 0.337,957 0.177,958 0.104,959 21,960 9,961 0.064,962 3,964 1,965 3.824,966 239.247,968 24,969 124.382,974 18.355,975 7.927,976 4.13,978 90.379,979 14.283,980 9.422,984 4.82,986 42.683,987 467.005,988 39,999 44.676,1000 49.123,1001 0.314,1002 0.65,1003 0.792,1004 0.9,1005 0.917,1006 0.917,1007 4.924,1008 1.414,1009 5.808,1010 3.83,1011 4.443,1012 4.984,1013 1.235,1014 6.603,1015 4.299,1016 6.126,1017 1.273,1018 7.357,1019 3.537,1020 4.007,1021 4.745,1022 0.325,1023 7.434,1024 3.74,1025 7.428,1026 1.077,1027 9.003,1028 3.383,1029 6.023,1030 7.161,1031 0.938,1032 10.525,1033 5.769,1034 8.762,1035 1,1036 10.704,1037 2.599,1038 6.382,1039 7.705,1040 0.268,1041 12.154,1042 6.018,1043 10.127,1044 1,1045 12.441,1046 2.476,1047 7.872,1048 9.609,1049 0.732,1050 14.742,1051 7.515,1052 11.512,1053 0.115,1054 14.2,1055 2.136,1056 8.603,1057 10.533,1058 0.188,1059 16.708,1060 8.158,1061 12.913,1062 -0.384,1063 15.976,1064 0.255,1065 9.866,1066 12.196,1067 0.57,1068 19.101,1069 9.411,1070 3.086,1071 -0.473,1072 17.763,1073 -0.869,1074 10.779,1075 13.325,1076 0.125,1077 21.224,1078 10.256,1079 2.844,1080 9.978,1081 19.559,1082 -1.243,1083 11.942,1084 14.864,1085 0.438,1086 23.538,1087 11.396,1088 2.725,1089 8.912,1090 21.361,1091 4.141,1092 12.947,1093 16.109,1094 0.082,1095 25.736,1096 12.344,1097 2.487,1098 8.699,1099 23.168,1100 3.862,1101 14.068,1102 17.582,1103 0.334,1104 28.02,1105 13.435,1106 2.207,1107 7.674,1108 24.98,1109 3.553,1110 15.119,1111 18.893,1112 0.054,1113 30.256,1114 14.436,1115 1.819,1116 6.091,1117 26.794,1118 3.063,1119 16.224,1120 20.332,1121 0.252,1122 32.532,1123 15.505,1124 1.462,1125 4.801,1126 28.612,1127 2.88,1128 17.3,1129 21.681,1130 0.035,1131 34.788,1132 16.535,1133 7855,1134 14394,1135 20.285,1136 31.733,1137 45.231,1138 46.401,1139 45.899,1140 45.171,1141 45.019,1142 58.458,1143 3.32,1144 128.74,1145 41.456,1146 5.442,1147 5.324,1148 6.199,1149 5.142,1150 5.086,1151 7.141,1152 1.72,1153 16.559,1154 4.946,1155 11.666,1156 1.508,1157 1.547,1158 1.53,1159 1.506,1160 1.501,1161 1.949,1162 0.111,1163 4.291,1164 1.382,1165 4.034,1166 4.067,1167 4.131,1168 3.95,1169 6.471,1170 3.954,1171 3.875,1172 3.892,1173 3.932,1174 3.826,1175 5.075,1176 3.82,1177 3.787,1178 3.833,1179 3.734,1180 3.618,1181 4.943,1182 3.633,1183 3.574,1184 3.614,1185 3.543,1186 3.405,1187 4.616,1188 3.417,1189 3.111,1190 3.206,1191 3.4,1192 2.941,1193 4.541,1194 2.91,1195 2.994,1196 3.02,1197 3.215,1198 2.899,1199 4.49,1200 2.896,1201 2.94,1202 2.977,1203 2.897,1204 2.799,1205 4.229,1206 2.786,1207 2.911,1208 2.962,1209 2.866,1210 2.764,1211 3.932,1212 2.755,1213 0.148,1214 0.111,1215 0.213,1216 0.135,1217 0.103,1218 4.442,1219 0.138,1220 3.324,1221 0.029,1222 6.397,1223 0.333,1224 4.039,1225 0.098,1226 3.086,1227 4.141,1228 0.86,1229 9.978,1230 2.946,1231 1.967,1232 1.944,1233 2.034,1234 2.082,1235 1.216,1236 2.069,1237 1.866,1238 1.849,1239 1.952,1240 1.945,1241 1.112,1242 1.95,1243 1.729,1244 1.68,1245 1.907,1246 1.922,1247 1.057,1248 1.927,1249 1.508,1250 1.468,1251 1.619,1252 1.683,1253 0.825,1254 1.672,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.693,1260 1.429,1261 0.956,1262 0.927,1263 1.156,1264 1.158,1265 0.252,1266 1.137,1267 0.883,1268 0.838,1269 1.116,1270 1.114,1271 0.226,1272 1.118,1273 0.87,1274 0.824,1275 1.106,1276 1.062,1277 0.163,1278 1.083,1279 4.111,1281 5.434,1283 6.957,1285 8.567,1287 10.218,1290 12.246,1294 9.831,1295 2.843,1297 5.445,1300 2.165,1305 30.363,1306 75.535,1307 156.215,1308 190.215,1309 216.215,1310 220.215,1311 220.215,1312 40.948,1313 7.389,1314 58.48,1315 58.48,1316 24,1317 12.51,1318 4.248,1319 3.322,1320 39.778,1321 93,1322 89,1323 0.212,1324 191.738,1325 329.66,1326 459.601,1327 14240,1328 4.5,1329 18.803,1330 0.696,1331 0.589,1332 19.803,1333 15.912,1334 13.097,1335 0.437,1336 0.311,1337 8.513,1338 12.093,1339 8.297,1340 6.778,1341 13.675,1342 9.322,1343 11.945,1344 0.284,1345 0.167,1346 12.687,1347 7.028,1348 10.082,1349 0.183,1350 0.093,1351 10.997,1352 5.106,1353 8.142,1354 0.115,1355 0.046,1356 8.528,1357 3.264,1358 7.033,1359 0.073,1360 0.024,1361 7.43,1362 2.302,1363 0.322,1364 87.904,1365 0.222,1366 25.417,1367 0.618,1368 144,1369 437.227,1370 186.654,1371 482.022,1372 640.48,1373 450,1374 169,1375 423.843,1376 208.153,1377 448.673,1378 660.16,1379 423,1380 6.699}
{0 CHEMBL1644563,1 1.579,2 9.667,3 3.311,4 10.962,5 105.221,6 7.572,7 0.6,8 3.989,9 4.107,10 3.573,11 3.493,12 5.102,13 3.493,14 4.507,15 4.679,16 3.894,17 3.853,18 5.595,19 3.832,20 4.733,21 4.95,22 3.896,23 3.961,24 5.735,25 3.902,26 4.703,27 4.943,28 3.808,29 3.894,30 5.678,31 3.82,32 4.664,33 4.9,34 3.868,35 3.877,36 5.711,37 3.824,38 4.624,39 4.827,40 3.862,41 3.914,42 5.636,43 3.868,44 4.727,45 4.942,46 3.872,47 3.985,48 5.738,49 3.897,50 4.824,51 5.077,52 3.759,53 3.98,54 5.699,55 3.866,56 0.049,57 0.741,58 9.654,59 4.023,60 8.532,61 5.258,62 0.289,63 1.17,64 18.305,65 6.466,66 23.766,67 8.625,68 0.4,69 1.371,70 24.849,71 7.944,72 35.821,73 11.276,74 0.314,75 1.341,76 24.334,77 7.624,78 33.582,79 11.305,80 0.433,81 1.292,82 23.554,83 7.133,84 42.077,85 10.672,86 0.258,87 1.294,88 21.145,89 6.72,90 23.503,91 9.612,92 0.416,93 1.353,94 24.1,95 8.837,96 36.308,97 12.556,98 0.303,99 1.363,100 28.668,101 10.151,102 36.155,103 14.488,104 2,105 40,106 0.267,107 0.612,108 0.776,109 0.861,110 0.868,111 0.868,112 3.34,113 0.893,114 -3.7,115 -3.67,116 -3.49,119 41.7,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 3,175 5,178 1,180 3,183 6,186 1,187 3,190 1,192 3,195 4,199 4,202 2,204 3,207 1,211 3,212 7,215 1,217 4,220 2,224 3,229 1,232 1,236 2,237 8,240 3,241 1,242 1,245 2,250 6,258 3,263 4,271 4,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 22.324,283 11.471,284 19.272,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 34.373,292 5.554,293 15.788,294 4.006,295 1.969,296 1,297 0.5,298 0.458,299 0.458,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 22.846,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 261,332 4.374,333 3.185,334 6.317,335 3.976,336 3.029,337 4.043,338 0.86,339 9.721,340 2.891,341 4.025,342 2.892,343 6.033,344 3.672,345 2.727,346 3.567,347 0.8,348 8.707,349 2.556,350 3.898,351 2.792,352 5.407,353 3.504,354 2.548,355 3.442,356 0.657,357 7.14,358 2.434,359 3.641,360 2.56,361 5.254,362 3.304,363 2.357,364 2.899,366 6.713,367 2.225,368 3.454,369 2.299,370 4.996,371 3.061,372 2.117,373 2.743,375 5.913,376 1.992,377 2.962,378 2.244,379 4.432,380 2.663,381 1.764,382 2.102,384 4.428,385 1.583,386 2.893,387 1.636,388 4.137,389 2.473,390 1.493,391 2.013,393 3.577,394 1.458,395 2.789,396 1.507,397 3.635,398 2.327,399 1.365,400 1.887,402 3.134,403 1.309,404 2.551,405 1.338,406 3.492,407 2.074,408 1.126,409 1.575,411 2.621,412 1.065,413 2.5,414 1.256,415 3.469,416 1.959,417 1,418 1.5,420 2.476,421 0.956,422 2.2,423 1.05,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.914,434 1,435 1,436 2.136,437 0.906,438 1.822,439 0.796,440 3.12,441 1.534,442 0.604,443 0.714,445 1.432,446 0.56,447 0.99,448 -0.057,449 2.662,450 0.566,451 -0.378,452 -0.487,454 -0.867,455 -0.352,456 0.929,457 -0.185,458 2.545,459 0.548,460 -0.401,461 -0.501,463 -1.033,464 -0.377,465 12.667,466 0.469,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 19.024,476 0.705,477 28.733,478 0.599,479 27.25,480 1.009,481 7.661,482 0.284,483 5.615,484 0.208,485 0.026,487 0.268,493 0.965,494 1.434,495 0.779,496 1.117,497 0.934,498 0.95,499 1.136,500 1.065,501 0.965,502 0.984,503 0.758,504 0.953,505 1.149,506 1.086,507 1.046,508 0.955,509 1.053,510 0.976,511 0.884,512 1.112,513 1.001,514 1.009,515 0.931,516 1.005,517 0.811,518 0.992,519 0.873,520 0.831,521 0.739,522 0.84,523 1.137,524 1.169,525 1.116,526 1.03,527 0.977,528 1.037,529 0.568,530 1.036,531 0.998,532 1.143,533 0.588,534 1.141,535 0.861,536 0.965,537 0.942,538 1.036,539 0.822,540 1.01,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 23589,553 2.165,554 43.8,556 18,558 1,559 2,564 1.707,565 2.104,566 3.272,567 0.267,568 1,569 1,573 75.791,574 1.579,575 3.616,576 4.585,577 5.085,578 5.127,579 5.127,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 268.078,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.084,610 -0.255,611 0.052,612 -0.078,613 -0.096,614 -0.006,615 -0.051,616 0.059,617 -0.048,618 -0.014,619 0.025,620 -0.035,621 -0.114,622 -0.046,623 -0.081,624 -0.001,625 -0.112,626 -0.033,627 -0.054,628 -0.068,629 -0.038,630 -0.07,631 -0.082,632 -0.051,633 0.106,634 0.062,635 0.101,636 0.101,637 0.131,638 0.102,639 -0.224,640 -0.048,641 -0.192,642 -0.088,643 -0.163,644 -0.117,645 0.235,646 -0.008,647 -0.067,648 -0.147,649 0.163,650 -0.158,651 -0.024,652 -0.054,653 0.044,654 -0.026,655 0.008,656 0.016,657 1.456,658 3.82,659 0.889,660 25.317,661 1.005,662 1.13,663 2.474,664 6.123,665 0.667,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.641,678 363.46,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 10.4,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 48,733 18,734 1,735 30,737 51,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 21,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,855 1,856 1,859 1,870 4.2,872 1,874 1,877 12.833,878 8.417,879 5.972,880 2.797,881 2.885,882 1.394,883 0.978,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.949,900 4.171,901 7.667,902 19.108,904 15.442,905 2.167,906 58.5,909 1,910 223.651,911 113.285,912 71.492,914 53.683,917 113.285,918 277.334,919 71.492,921 15.502,922 75.81,923 133.822,924 20.871,925 4.227,926 211.88,928 223.651,929 184.777,930 53.683,933 223.651,934 42.683,935 11,937 31.962,938 84.448,939 68.367,941 223.651,942 125.175,943 113.285,946 223.651,947 28.428,948 87.982,949 18.011,950 104.04,951 223.651,952 125.175,953 113.285,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.098,962 5,964 1,965 3.982,966 230.128,968 24,969 124.382,974 17.712,975 8.336,976 4.536,978 125.175,979 16.562,980 13.726,984 4.113,986 60.694,987 462.111,988 39,999 48.232,1000 54.232,1001 0.283,1002 0.647,1003 0.821,1004 0.91,1005 0.918,1006 0.918,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.459,1014 6.46,1015 4.284,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.589,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.074,1032 10.267,1033 5.696,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.835,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 0.807,1050 14.403,1051 7.373,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.933,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 0.608,1068 18.712,1069 9.201,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 9.986,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 0.458,1086 23.115,1087 11.125,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 12.03,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 0.343,1104 27.57,1105 13.111,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.081,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 0.256,1122 32.055,1123 15.137,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.143,1133 8433,1134 13803,1135 20.86,1136 32.029,1137 44.415,1138 44.554,1139 44.237,1140 44.297,1141 44.261,1142 57.314,1143 4.635,1144 120.264,1145 41.76,1146 5.374,1147 5.185,1148 6.119,1149 5.08,1150 5.029,1151 7.043,1152 1.72,1153 16.234,1154 4.891,1155 6.783,1156 1.48,1157 1.485,1158 1.475,1159 1.477,1160 1.475,1161 1.91,1162 0.154,1163 4.009,1164 1.392,1165 4.008,1166 4.049,1167 3.967,1168 3.904,1169 6.471,1170 3.912,1171 3.87,1172 3.912,1173 3.806,1174 3.766,1175 5.002,1176 3.77,1177 3.797,1178 3.844,1179 3.724,1180 3.619,1181 4.877,1182 3.64,1183 3.635,1184 3.686,1185 3.54,1186 3.451,1187 4.613,1188 3.464,1189 3.253,1190 3.332,1191 3.128,1192 3.068,1193 4.564,1194 3.069,1195 3.111,1196 3.206,1197 2.887,1198 2.941,1199 4.144,1200 2.91,1201 2.968,1202 3.008,1203 2.866,1204 2.769,1205 3.87,1206 2.787,1207 2.917,1208 2.967,1209 2.79,1210 2.745,1211 3.833,1212 2.743,1213 0.146,1214 0.106,1215 0.211,1216 0.133,1217 0.101,1218 4.374,1219 0.135,1220 3.185,1221 0.029,1222 6.317,1223 0.324,1224 3.976,1225 0.096,1226 3.029,1227 4.043,1228 0.86,1229 9.721,1230 2.891,1231 1.941,1232 1.914,1233 2.028,1234 2.074,1235 1.202,1236 2.058,1237 1.844,1238 1.804,1239 1.969,1240 1.975,1241 1.105,1242 1.976,1243 1.736,1244 1.683,1245 1.917,1246 1.942,1247 1.045,1248 1.939,1249 1.576,1250 1.527,1251 1.719,1252 1.776,1253 0.825,1254 1.764,1255 1.223,1256 1.152,1257 1.513,1258 1.454,1259 0.766,1260 1.462,1261 1.153,1262 1.064,1263 1.468,1264 1.376,1265 0.604,1266 1.429,1267 0.884,1268 0.845,1269 1.143,1270 1.157,1271 0.266,1272 1.137,1273 0.881,1274 0.829,1275 1.106,1276 1.125,1277 0.174,1278 1.127,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.82,1295 3.402,1296 3.331,1297 5.433,1300 2.113,1305 30.751,1306 75.791,1307 173.575,1308 220.078,1309 244.078,1310 246.078,1311 246.078,1312 35.678,1313 7.313,1314 83.4,1315 83.4,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 188.661,1325 321.24,1326 452.093,1327 13821,1329 18.476,1330 0.684,1331 0.551,1332 18.476,1333 14.876,1334 13.276,1335 0.443,1336 0.298,1337 8.778,1338 12.703,1339 8.639,1340 7.112,1341 13.276,1342 8.928,1343 11.605,1344 0.29,1345 0.157,1346 11.605,1347 6.263,1348 9.546,1349 0.187,1350 0.085,1351 9.546,1352 4.327,1353 8.001,1354 0.121,1355 0.044,1356 8.001,1357 2.927,1358 6.763,1359 0.079,1360 0.023,1361 6.763,1362 1.998,1363 0.301,1364 83.533,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 410.799,1370 155.168,1371 396.005,1372 546.4,1373 374,1374 161,1375 403.272,1376 176.282,1377 407,1378 593.17,1379 384,1380 6.046}
{0 CHEMBL1644564,1 1.579,2 9.667,3 2.882,4 8.308,5 105.593,6 7.572,7 0.6,8 3.989,9 4.107,10 3.573,11 3.493,12 5.104,13 3.493,14 4.507,15 4.68,16 3.891,17 3.858,18 5.591,19 3.835,20 4.729,21 4.941,22 3.894,23 3.975,24 5.721,25 3.912,26 4.726,27 4.97,28 3.809,29 3.91,30 5.688,31 3.83,32 4.682,33 4.925,34 3.865,35 3.885,36 5.716,37 3.83,38 4.614,39 4.81,40 3.859,41 3.923,42 5.632,43 3.875,44 4.733,45 4.948,46 3.87,47 3.996,48 5.738,49 3.906,50 4.831,51 5.086,52 3.753,53 3.996,54 5.696,55 3.879,56 0.049,57 0.741,58 9.654,59 4.023,60 8.865,61 5.258,62 0.298,63 1.168,64 18.334,65 6.48,66 24.048,67 8.62,68 0.354,69 1.366,70 24.481,71 8.136,72 33.004,73 11.481,74 0.313,75 1.361,76 25.042,77 7.967,78 34.049,79 11.816,80 0.459,81 1.305,82 24.271,83 7.228,84 43.312,85 10.861,86 0.249,87 1.288,88 20.688,89 6.748,90 23.185,91 9.55,92 0.393,93 1.358,94 24.213,95 8.944,96 36.304,97 12.72,98 0.321,99 1.37,100 28.929,101 10.273,102 35.839,103 14.615,104 2,105 40,106 0.267,107 0.62,108 0.777,109 0.84,110 0.84,111 0.84,112 3.34,113 0.892,114 -3.7,115 -3.67,116 -3.49,119 41.7,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 6,174 3,175 5,178 1,180 4,183 6,186 1,187 3,192 4,195 4,199 5,202 2,204 2,207 2,211 2,212 7,215 2,217 3,220 3,224 4,229 1,232 1,236 1,237 9,240 3,241 1,242 1,245 4,250 2,258 5,262 2,263 3,268 1,271 3,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 22.324,283 11.471,284 19.278,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 34.373,292 5.554,293 15.781,294 4.006,295 1.92,296 0.993,297 0.625,298 0.625,299 0.625,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 22.391,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 261,332 4.374,333 3.185,334 6.317,335 3.976,336 3.029,337 4.043,338 0.86,339 9.721,340 2.891,341 4.025,342 2.892,343 6.033,344 3.672,345 2.727,346 3.567,347 0.8,348 8.707,349 2.559,350 3.898,351 2.792,352 5.407,353 3.526,354 2.548,355 3.442,356 0.657,357 7.14,358 2.491,359 3.641,360 2.56,361 5.254,362 3.307,363 2.357,364 2.899,366 6.713,367 2.229,368 3.454,369 2.299,370 4.996,371 3.061,372 2.117,373 2.743,375 5.913,376 1.992,377 2.962,378 2.244,379 4.432,380 2.661,381 1.764,382 2.102,384 4.428,385 1.577,386 2.893,387 1.636,388 4.137,389 2.426,390 1.493,391 2.013,393 3.577,394 1.389,395 2.789,396 1.507,397 3.635,398 2.325,399 1.365,400 1.887,402 3.134,403 1.305,404 2.551,405 1.338,406 3.492,407 2.073,408 1.126,409 1.575,411 2.621,412 1.064,413 2.5,414 1.256,415 3.469,416 1.984,417 1,418 1.5,420 2.476,421 0.983,422 2.2,423 1.05,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.914,434 1,435 1,436 2.136,437 0.906,438 1.822,439 0.796,440 3.12,441 1.532,442 0.604,443 0.714,445 1.432,446 0.559,447 0.99,448 -0.057,449 2.662,450 0.566,451 -0.378,452 -0.487,454 -0.867,455 -0.352,456 0.929,457 -0.185,458 2.545,459 0.548,460 -0.401,461 -0.501,463 -1.033,464 -0.377,465 12.667,466 0.469,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 19.059,476 0.706,477 28.733,478 0.599,479 27.215,480 1.008,481 7.657,482 0.284,483 5.619,484 0.208,485 0.026,487 0.268,493 0.965,494 1.434,495 0.779,496 1.117,497 0.926,498 0.95,499 1.148,500 1.01,501 0.972,502 0.953,503 0.761,504 0.936,505 1.119,506 1.157,507 1.05,508 1.017,509 1.025,510 1.021,511 0.839,512 1.11,513 0.984,514 1.019,515 0.89,516 1.009,517 0.83,518 0.915,519 0.869,520 0.771,521 0.76,522 0.798,523 1.136,524 1.164,525 1.145,526 1.055,527 0.994,528 1.069,529 0.578,530 1.071,531 1.005,532 1.16,533 0.576,534 1.153,535 0.872,536 0.897,537 0.958,538 1.003,539 0.82,540 0.996,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 23893,553 2.165,554 43.8,556 17,558 2,559 2,564 1.707,565 2.104,566 3.272,567 0.267,568 1,569 1,573 75.791,574 1.579,575 3.665,576 4.592,577 4.96,578 4.96,579 4.96,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 268.078,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.084,610 -0.255,611 0.052,612 -0.078,613 -0.088,614 -0.006,615 -0.064,616 0.114,617 -0.055,618 0.018,619 0.021,620 -0.017,621 -0.123,622 -0.124,623 -0.097,624 -0.045,625 -0.114,626 -0.066,627 -0.034,628 -0.081,629 -0.018,630 -0.072,631 -0.066,632 -0.046,633 0.091,634 0.133,635 0.113,636 0.156,637 0.112,638 0.145,639 -0.234,640 -0.036,641 -0.231,642 -0.105,643 -0.183,644 -0.147,645 0.207,646 -0.048,647 -0.077,648 -0.157,649 0.162,650 -0.165,651 -0.041,652 0.016,653 0.027,654 0.01,655 -0.002,656 0.031,657 1.453,658 3.822,659 0.889,660 25.317,661 1.005,662 1.13,663 2.474,664 6.123,665 0.667,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.641,678 363.46,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 10.4,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 48,733 18,734 1,735 30,737 51,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 21,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,855 1,856 1,859 1,870 4.2,872 1,874 1,877 12.833,878 8.417,879 5.972,880 2.786,881 2.885,882 1.394,883 0.978,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.945,900 4.166,901 7.667,902 19.108,904 15.451,905 2.167,906 58.5,909 1,910 223.651,911 113.285,912 71.492,914 53.683,917 113.285,918 277.334,919 71.492,921 15.502,922 66.334,923 145.593,924 30.347,925 4.227,926 200.109,928 223.651,929 184.777,930 53.683,933 223.651,934 42.683,935 11,937 38.253,938 78.157,939 68.367,941 223.651,942 125.175,943 113.285,946 223.651,947 28.857,948 87.553,949 18.011,950 104.04,951 223.651,952 125.175,953 113.285,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.098,962 5,964 1,965 3.982,966 230.128,968 24,969 120.382,974 17.712,975 8.336,976 4.536,978 125.175,979 16.473,980 13.454,984 4.345,986 60.694,987 462.111,988 39,999 48.232,1000 54.232,1001 0.283,1002 0.656,1003 0.822,1004 0.888,1005 0.888,1006 0.888,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.459,1014 6.46,1015 4.286,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.074,1032 10.267,1033 5.708,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.863,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 0.807,1050 14.403,1051 7.394,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.965,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 0.608,1068 18.712,1069 9.229,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 10.02,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 0.458,1086 23.115,1087 11.156,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 12.064,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 0.343,1104 27.57,1105 13.142,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.112,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 0.256,1122 32.055,1123 15.167,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.171,1133 8433,1134 13885,1135 20.86,1136 32.029,1137 44.415,1138 44.554,1139 44.237,1140 44.292,1141 44.261,1142 57.314,1143 4.635,1144 120.264,1145 41.784,1146 5.374,1147 5.185,1148 6.119,1149 5.08,1150 5.029,1151 7.043,1152 1.72,1153 16.234,1154 4.891,1155 6.783,1156 1.48,1157 1.485,1158 1.475,1159 1.476,1160 1.475,1161 1.91,1162 0.154,1163 4.009,1164 1.393,1165 4.009,1166 4.05,1167 3.967,1168 3.905,1169 6.471,1170 3.913,1171 3.874,1172 3.914,1173 3.809,1174 3.778,1175 5.001,1176 3.78,1177 3.797,1178 3.844,1179 3.723,1180 3.617,1181 4.89,1182 3.639,1183 3.633,1184 3.684,1185 3.539,1186 3.448,1187 4.613,1188 3.462,1189 3.223,1190 3.311,1191 3.107,1192 2.986,1193 4.565,1194 3.002,1195 3.111,1196 3.206,1197 2.887,1198 2.941,1199 4.175,1200 2.91,1201 2.968,1202 3.008,1203 2.866,1204 2.758,1205 3.871,1206 2.781,1207 2.916,1208 2.966,1209 2.788,1210 2.744,1211 3.792,1212 2.743,1213 0.146,1214 0.106,1215 0.211,1216 0.133,1217 0.101,1218 4.374,1219 0.135,1220 3.185,1221 0.029,1222 6.317,1223 0.324,1224 3.976,1225 0.096,1226 3.029,1227 4.043,1228 0.86,1229 9.721,1230 2.891,1231 1.942,1232 1.915,1233 2.029,1234 2.075,1235 1.202,1236 2.059,1237 1.853,1238 1.815,1239 1.975,1240 1.977,1241 1.115,1242 1.979,1243 1.735,1244 1.682,1245 1.917,1246 1.942,1247 1.079,1248 1.939,1249 1.572,1250 1.524,1251 1.708,1252 1.774,1253 0.825,1254 1.759,1255 1.162,1256 1.078,1257 1.513,1258 1.436,1259 0.742,1260 1.432,1261 1.153,1262 1.064,1263 1.413,1264 1.376,1265 0.512,1266 1.429,1267 0.886,1268 0.843,1269 1.181,1270 1.157,1271 0.266,1272 1.137,1273 0.883,1274 0.825,1275 1.142,1276 1.124,1277 0.218,1278 1.126,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.822,1295 3.487,1296 3.366,1297 5.436,1300 2.118,1305 30.751,1306 75.791,1307 175.923,1308 220.427,1309 238.078,1310 238.078,1311 238.078,1312 35.477,1313 7.313,1314 83.4,1315 83.4,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 188.661,1325 321.24,1326 452.093,1327 13821,1329 18.476,1330 0.684,1331 0.551,1332 18.476,1333 14.876,1334 13.276,1335 0.443,1336 0.297,1337 8.767,1338 12.696,1339 8.624,1340 7.102,1341 13.276,1342 8.918,1343 11.605,1344 0.29,1345 0.157,1346 11.605,1347 6.297,1348 9.546,1349 0.187,1350 0.086,1351 9.546,1352 4.373,1353 8.001,1354 0.121,1355 0.044,1356 8.001,1357 2.936,1358 6.763,1359 0.079,1360 0.023,1361 6.763,1362 1.999,1363 0.301,1364 83.579,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 410.799,1370 154.835,1371 396.162,1372 545.52,1373 374,1374 161,1375 400.92,1376 175.921,1377 405.511,1378 590.19,1379 382,1380 6}
{0 CHEMBL1644565,1 1.557,2 10.536,3 3.346,4 11.194,5 109.77,6 7.402,7 0.581,8 4.041,9 4.162,10 3.606,11 3.545,12 5.134,13 3.538,14 4.567,15 4.745,16 3.921,17 3.908,18 5.628,19 3.877,20 4.805,21 5.032,22 3.921,23 4.017,24 5.77,25 3.949,26 4.769,27 5.012,28 3.839,29 3.959,30 5.722,31 3.874,32 4.742,33 4.982,34 3.878,35 3.94,36 5.747,37 3.872,38 4.71,39 4.928,40 3.875,41 3.963,42 5.681,43 3.899,44 4.786,45 5.011,46 3.874,47 4.021,48 5.762,49 3.927,50 4.875,51 5.128,52 3.773,53 4.036,54 5.734,55 3.908,56 0.038,57 0.78,58 10.611,59 4.352,60 8.891,61 5.811,62 0.278,63 1.233,64 20.023,65 7.051,66 25.148,67 9.617,68 0.385,69 1.451,70 27.348,71 8.556,72 37.14,73 12.484,74 0.323,75 1.419,76 26.339,77 8.408,78 35.887,79 12.537,80 0.414,81 1.377,82 25.786,83 7.767,84 43.662,85 11.83,86 0.27,87 1.376,88 24.026,89 7.652,90 27.409,91 11.218,92 0.409,93 1.416,94 26.31,95 9.061,96 37.881,97 13.229,98 0.312,99 1.43,100 30.095,101 11.011,102 37.403,103 15.65,104 2,105 41,106 0.26,107 0.598,108 0.767,109 0.864,110 0.87,111 0.87,112 3.375,113 0.912,114 -3.93,115 -3.88,116 -3.68,119 41.2,121 1,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 3,175 6,178 1,180 4,183 7,186 1,187 3,192 2,195 5,199 5,202 3,204 3,207 3,211 2,212 5,215 1,217 4,220 1,223 1,224 6,229 2,232 2,237 5,240 3,241 1,242 1,245 3,249 2,250 6,258 3,263 6,268 1,271 4,275 1328,276 19.43,277 19.43,278 19.43,279 19.43,280 19.43,281 17.294,282 22.324,283 11.957,284 19.987,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 12.202,291 31.517,292 5.781,293 16.295,294 4.115,295 2.099,296 1.088,297 0.51,298 0.471,299 0.471,300 4.078,303 1,304 1,305 1,306 644,307 2.55,311 376.948,318 1.531,319 23.176,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 295,332 4.373,333 3.184,334 6.317,335 3.976,336 3.028,337 4.042,338 0.86,339 9.72,340 2.89,341 4.023,342 2.889,343 6.033,344 3.671,345 2.727,346 3.564,347 0.8,348 8.707,349 2.554,350 3.897,351 2.739,352 5.359,353 3.495,354 2.53,355 3.444,356 0.4,357 7.006,358 2.441,359 3.647,360 2.601,361 5.306,362 3.329,363 2.388,364 2.899,366 6.857,367 2.242,368 3.462,369 2.327,370 5,371 3.078,372 2.134,373 2.749,375 5.928,376 2.007,377 2.963,378 2.259,379 4.435,380 2.673,381 1.772,382 2.112,384 4.44,385 1.597,386 2.918,387 1.667,388 4.137,389 2.525,390 1.544,391 2.03,393 3.582,394 1.507,395 2.79,396 1.542,397 3.676,398 2.335,399 1.375,400 1.887,402 3.219,403 1.315,404 2.554,405 1.34,406 3.494,407 2.099,408 1.148,409 1.578,411 2.631,412 1.089,413 2.5,414 1.256,415 3.469,416 1.965,417 1,418 1.5,420 2.476,421 0.963,422 2.229,423 1.15,424 3.319,425 1.952,426 1,427 1.202,428 2.258,429 0.948,430 2.179,431 1.034,432 3.247,433 1.951,434 1,435 1.144,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.908,442 1,443 1,445 2.136,446 0.901,447 1.22,448 0.205,449 2.712,450 0.949,456 0.981,457 -0.057,458 2.653,459 0.563,460 -0.384,461 -0.493,463 -0.869,464 -0.357,465 13.167,466 0.47,467 0.482,468 0.017,469 38.5,470 1.375,471 19.5,472 0.696,473 19,474 0.679,475 20.727,476 0.74,477 30.033,478 0.589,479 27.602,480 0.986,481 7.687,482 0.275,483 6.089,484 0.217,485 0.025,487 0.258,493 0.96,494 1.438,495 0.8,496 1.134,497 0.924,498 0.972,499 1.118,500 1.084,501 0.977,502 1.013,503 0.747,504 0.981,505 1.174,506 1.081,507 1.038,508 0.93,509 1.056,510 0.951,511 0.842,512 1.067,513 1.006,514 1.017,515 0.921,516 1.02,517 0.855,518 1.052,519 0.939,520 0.894,521 0.801,522 0.906,523 1.049,524 1.138,525 1.086,526 1.044,527 0.891,528 1.046,529 0.704,530 1.057,531 1.043,532 1.099,533 0.653,534 1.111,535 0.796,536 0.928,537 0.977,538 1.085,539 0.812,540 1.069,541 4.5,542 0.062,543 2,544 1.063,545 1.018,546 0.903,547 0.347,548 0.222,549 0.303,550 0.153,551 10199,552 26188,553 2.159,554 45.1,556 18,558 1,559 2,560 2,564 1.715,565 2.1,566 3.383,567 0.247,568 1,569 1,573 79.403,574 1.557,575 3.573,576 4.584,577 5.163,578 5.202,579 5.202,580 2.717,581 4.379,582 4.776,583 3.551,584 1342.28,585 8.333,586 18132.4,588 1,590 1,591 289.294,592 1.018,593 4.772,594 0.145,595 0.003,596 0.049,597 0.027,598 0.028,599 0.024,600 0.009,601 0.006,602 0.009,603 0.005,604 0.305,605 0.33,606 1,607 0.343,608 140.672,609 -0.073,610 -0.245,611 0.053,612 -0.075,613 -0.078,614 -0.006,615 -0.034,616 0.042,617 -0.046,618 -0.03,619 0.041,620 -0.045,621 -0.135,622 -0.044,623 -0.062,624 0.026,625 -0.116,626 -0.002,627 -0.016,628 -0.021,629 -0.043,630 -0.07,631 -0.07,632 -0.061,633 0.062,634 0.003,635 0.036,636 0.042,637 0.068,638 0.039,639 -0.144,640 -0.041,641 -0.141,642 -0.093,643 -0.094,644 -0.106,645 0.136,646 -0.02,647 -0.097,648 -0.115,649 0.114,650 -0.136,651 0.028,652 -0.005,653 -0.005,654 -0.07,655 0.015,656 -0.047,657 1.45,658 3.836,659 0.857,660 28.245,661 1.002,662 1.13,663 2.697,664 7.276,665 0.663,666 3.466,667 3.738,668 3.97,669 4.22,670 4.466,671 4.466,672 4.635,673 4.736,674 4.868,675 4.913,676 6.556,677 0.633,678 377.49,679 3.466,680 4.977,681 5.802,682 6.653,683 7.495,684 8.353,685 9.205,686 10.068,687 10.925,688 11.791,689 9.8,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 51,733 18,734 1,735 31,737 54,738 21,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 6,778 1,781 23,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 28,853 1,854 6,855 1,856 1,859 1,870 3.9,872 1,874 1,877 13.333,878 8.917,879 6.222,880 3.047,881 2.856,882 1.388,883 0.974,884 6,885 10.216,886 3.714,887 4.256,888 4.785,889 5.336,890 5.88,891 6.004,892 6.403,893 6.72,894 7.081,895 7.32,896 0.857,897 40,898 10.329,900 4.313,901 7.643,902 19.925,904 16.109,905 2.143,906 60,908 1,909 1,910 247.193,911 115.82,912 71.492,914 53.683,917 115.82,918 300.876,919 71.492,921 18.036,922 75.81,923 133.822,924 20.871,925 4.227,926 235.422,928 247.193,929 187.312,930 53.683,933 247.193,934 42.683,935 11,937 34.496,938 84.448,939 68.367,941 247.193,942 125.175,943 115.82,946 247.193,947 30.962,948 87.982,949 18.011,950 104.04,951 247.193,952 125.175,953 115.82,955 0.565,956 0.319,957 0.176,958 0.1,959 19,960 7,961 0.111,962 6,964 1,965 4.104,966 238.498,968 24,969 128.606,974 18.665,975 9.001,976 4.986,978 125.175,979 16.745,980 13.785,984 4.298,986 60.694,987 488.188,988 40,999 51.116,1000 57.647,1001 0.274,1002 0.63,1003 0.808,1004 0.91,1005 0.917,1006 0.917,1007 4.916,1008 1.375,1009 5.74,1010 3.582,1011 4.419,1012 4.942,1013 1.324,1014 6.472,1015 4.311,1016 6.075,1017 1.148,1018 7.238,1019 3.219,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.589,1025 7.34,1026 1,1027 8.834,1028 2.631,1029 5.927,1030 7.037,1031 0.958,1032 10.269,1033 5.717,1034 8.639,1035 1,1036 10.492,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.838,1043 9.971,1044 1,1045 12.19,1046 2.258,1047 7.697,1048 9.402,1049 0.736,1050 14.402,1051 7.389,1052 11.325,1053 1,1054 13.917,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.335,1060 7.937,1061 12.698,1063 15.664,1064 2.136,1065 9.617,1066 11.91,1067 0.57,1068 18.71,1069 9.212,1070 3.028,1071 -0.384,1072 17.426,1074 10.452,1075 12.922,1076 0.125,1077 20.815,1078 9.99,1079 2.727,1080 9.72,1081 19.199,1082 -0.869,1083 11.633,1084 14.505,1085 0.439,1086 23.113,1087 11.133,1088 2.53,1089 8.707,1090 20.982,1091 4.042,1092 12.588,1093 15.661,1094 0.082,1095 25.298,1096 12.034,1097 2.388,1098 7.006,1099 22.773,1100 3.564,1101 13.711,1102 17.157,1103 0.334,1104 27.568,1105 13.116,1106 2.134,1107 6.857,1108 24.569,1109 3.444,1110 14.729,1111 18.402,1112 0.054,1113 29.792,1114 14.084,1115 1.772,1116 5.928,1117 26.371,1118 2.899,1119 15.828,1120 19.848,1121 0.252,1122 32.053,1123 15.14,1124 1.544,1125 4.44,1126 28.177,1127 2.749,1128 16.881,1129 21.149,1130 0.035,1131 34.296,1132 16.144,1133 9593,1134 15498,1135 21.553,1136 33.79,1137 45.521,1138 45.631,1139 45.452,1140 45.348,1141 45.291,1142 58.303,1143 4.12,1144 122.19,1145 42.801,1146 5.373,1147 5.184,1148 6.119,1149 5.079,1150 5.028,1151 7.042,1152 1.72,1153 16.234,1154 4.89,1155 6.983,1156 1.468,1157 1.472,1158 1.466,1159 1.463,1160 1.461,1161 1.881,1162 0.133,1163 3.942,1164 1.381,1165 4.007,1166 4.049,1167 3.965,1168 3.904,1169 6.471,1170 3.911,1171 3.881,1172 3.923,1173 3.813,1174 3.779,1175 4.997,1176 3.781,1177 3.801,1178 3.847,1179 3.729,1180 3.625,1181 4.881,1182 3.647,1183 3.65,1184 3.704,1185 3.549,1186 3.46,1187 4.613,1188 3.473,1189 3.401,1190 3.472,1191 3.259,1192 3.242,1193 4.565,1194 3.234,1195 3.111,1196 3.206,1197 2.891,1198 2.941,1199 4.185,1200 2.91,1201 2.971,1202 3.017,1203 2.866,1204 2.795,1205 3.872,1206 2.807,1207 2.945,1208 3.008,1209 2.838,1210 2.745,1211 3.847,1212 2.745,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.373,1219 0.13,1220 3.184,1221 0.028,1222 6.317,1223 0.314,1224 3.976,1225 0.093,1226 3.028,1227 4.042,1228 0.86,1229 9.72,1230 2.89,1231 1.94,1232 1.914,1233 2.03,1234 2.073,1235 1.204,1236 2.058,1237 1.857,1238 1.817,1239 1.99,1240 1.987,1241 1.17,1242 1.991,1243 1.739,1244 1.688,1245 1.918,1246 1.942,1247 1.096,1248 1.939,1249 1.594,1250 1.541,1251 1.765,1252 1.801,1253 0.846,1254 1.793,1255 1.392,1256 1.327,1257 1.611,1258 1.589,1259 0.825,1260 1.602,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.701,1266 1.429,1267 0.912,1268 0.861,1269 1.162,1270 1.16,1271 0.278,1272 1.153,1273 0.883,1274 0.836,1275 1.139,1276 1.153,1277 0.262,1278 1.135,1279 4.143,1281 5.425,1283 6.907,1285 8.475,1287 10.088,1294 9.836,1295 4.382,1296 3.386,1297 5.443,1300 2.125,1305 32.278,1306 79.403,1307 182.235,1308 233.784,1309 263.294,1310 265.294,1311 265.294,1312 38.529,1313 7.36,1314 83.4,1315 83.4,1316 24,1317 12.339,1318 4.248,1319 3.322,1320 42.185,1321 108,1322 118,1323 0.186,1324 198.253,1325 338.54,1326 475.498,1327 15071,1329 19.184,1330 0.685,1331 0.557,1332 19.184,1333 15.583,1334 13.776,1335 0.444,1336 0.304,1337 9.278,1338 13.199,1339 9.132,1340 7.517,1341 13.776,1342 9.428,1343 11.958,1344 0.292,1345 0.161,1346 11.958,1347 6.586,1348 9.787,1349 0.188,1350 0.088,1351 9.787,1352 4.564,1353 8.225,1354 0.123,1355 0.046,1356 8.225,1357 3.108,1358 6.831,1359 0.079,1360 0.024,1361 6.831,1362 2.098,1363 0.289,1364 86.533,1365 0.215,1366 26.822,1367 0.514,1368 144,1369 414.799,1370 159.168,1371 399.992,1372 552.08,1373 378,1374 165,1375 407.272,1376 180.087,1377 410.677,1378 598.01,1379 388,1380 6.602}
{0 CHEMBL1644566,1 1.557,2 10.536,3 3.204,4 10.263,5 110.347,6 7.402,7 0.581,8 4.041,9 4.162,10 3.606,11 3.545,12 5.135,13 3.538,14 4.567,15 4.745,16 3.918,17 3.913,18 5.624,19 3.88,20 4.801,21 5.023,22 3.921,23 4.029,24 5.764,25 3.956,26 4.791,27 5.04,28 3.839,29 3.965,30 5.729,31 3.877,32 4.744,33 4.987,34 3.88,35 3.937,36 5.756,37 3.87,38 4.701,39 4.915,40 3.871,41 3.965,42 5.667,43 3.902,44 4.786,45 5.01,46 3.877,47 4.027,48 5.771,49 3.932,50 4.88,51 5.134,52 3.768,53 4.041,54 5.724,55 3.912,56 0.038,57 0.78,58 10.611,59 4.352,60 9.224,61 5.811,62 0.287,63 1.232,64 20.048,65 7.068,66 25.106,67 9.617,68 0.353,69 1.448,70 27.003,71 8.825,72 35.153,73 12.751,74 0.31,75 1.436,76 27.161,77 8.556,78 36.323,79 12.888,80 0.457,81 1.382,82 25.991,83 7.688,84 45.591,85 11.71,86 0.242,87 1.365,88 23.651,89 7.584,90 25.414,91 11.112,92 0.43,93 1.421,94 26.258,95 9.166,96 39.597,97 13.286,98 0.267,99 1.43,100 30.259,101 11.011,102 35.672,103 15.758,104 2,105 41,106 0.26,107 0.606,108 0.781,109 0.87,110 0.87,111 0.87,112 3.375,113 0.911,114 -3.93,115 -3.88,116 -3.68,119 41.2,121 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 3,175 5,178 1,180 4,183 7,186 1,187 4,192 3,195 5,199 5,202 2,204 3,207 2,211 2,212 6,215 2,217 4,220 2,224 5,229 1,232 2,236 1,237 8,240 3,241 1,242 1,245 4,250 4,258 4,262 2,263 5,268 1,271 5,275 1328,276 19.43,277 19.43,278 19.43,279 19.43,280 19.43,281 17.294,282 22.324,283 11.957,284 19.985,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 12.202,291 31.517,292 5.781,293 16.284,294 4.115,295 2.053,296 1.003,297 0.471,298 0.471,299 0.471,300 4.078,304 1,305 1,306 644,307 2.55,311 376.948,318 1.531,319 22.918,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 295,332 4.373,333 3.184,334 6.317,335 3.976,336 3.028,337 4.042,338 0.86,339 9.72,340 2.89,341 4.023,342 2.889,343 6.033,344 3.671,345 2.727,346 3.564,347 0.8,348 8.707,349 2.554,350 3.897,351 2.739,352 5.359,353 3.515,354 2.53,355 3.444,356 0.4,357 7.006,358 2.494,359 3.647,360 2.601,361 5.306,362 3.33,363 2.388,364 2.899,366 6.857,367 2.244,368 3.462,369 2.327,370 5,371 3.078,372 2.134,373 2.749,375 5.928,376 2.008,377 2.963,378 2.259,379 4.435,380 2.672,381 1.772,382 2.112,384 4.44,385 1.592,386 2.918,387 1.667,388 4.137,389 2.502,390 1.544,391 2.03,393 3.582,394 1.474,395 2.79,396 1.542,397 3.676,398 2.334,399 1.375,400 1.887,402 3.219,403 1.314,404 2.554,405 1.34,406 3.494,407 2.098,408 1.148,409 1.578,411 2.631,412 1.089,413 2.5,414 1.256,415 3.469,416 1.964,417 1,418 1.5,420 2.476,421 0.961,422 2.229,423 1.15,424 3.319,425 1.952,426 1,427 1.202,428 2.258,429 0.948,430 2.179,431 1.034,432 3.247,433 1.951,434 1,435 1.144,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.908,442 1,443 1,445 2.136,446 0.901,447 1.22,448 0.205,449 2.712,450 0.95,456 0.981,457 -0.057,458 2.653,459 0.563,460 -0.384,461 -0.493,463 -0.869,464 -0.357,465 13.167,466 0.47,467 0.482,468 0.017,469 38.5,470 1.375,471 19.5,472 0.696,473 19,474 0.679,475 20.749,476 0.741,477 30.033,478 0.589,479 27.58,480 0.985,481 7.682,482 0.274,483 6.094,484 0.218,485 0.025,487 0.258,493 0.96,494 1.438,495 0.8,496 1.134,497 0.916,498 0.972,499 1.13,500 1.033,501 0.984,502 0.984,503 0.754,504 0.965,505 1.109,506 1.131,507 1.035,508 0.996,509 1.012,510 1.001,511 0.846,512 1.096,513 0.982,514 1.005,515 0.909,516 0.998,517 0.874,518 0.967,519 0.951,520 0.845,521 0.82,522 0.88,523 1.073,524 1.18,525 1.097,526 1.061,527 0.916,528 1.058,529 0.68,530 1.015,531 1.056,532 1.104,533 0.643,534 1.126,535 0.824,536 0.996,537 0.971,538 1.095,539 0.808,540 1.066,541 4.5,542 0.062,543 2,544 1.063,545 1.018,546 0.903,547 0.347,548 0.222,549 0.303,550 0.153,551 10199,552 26344,553 2.159,554 45.1,556 17,558 2,559 2,561 2,564 1.715,565 2.1,566 3.383,567 0.247,568 1,569 1,573 79.403,574 1.557,575 3.619,576 4.669,577 5.202,578 5.202,579 5.202,580 2.717,581 4.379,582 4.776,583 3.551,584 1342.28,585 8.333,586 18132.4,588 1,590 1,591 289.294,592 1.018,593 4.772,594 0.145,595 0.003,596 0.049,597 0.027,598 0.028,599 0.024,600 0.009,601 0.006,602 0.009,603 0.005,604 0.305,605 0.33,606 1,607 0.343,608 140.672,609 -0.073,610 -0.245,611 0.053,612 -0.075,613 -0.07,614 -0.006,615 -0.046,616 0.095,617 -0.053,619 0.032,620 -0.029,621 -0.109,622 -0.1,623 -0.07,624 -0.023,625 -0.101,626 -0.04,627 -0.031,628 -0.066,629 -0.013,630 -0.059,631 -0.066,632 -0.035,633 0.069,634 0.096,635 0.03,636 0.079,637 0.063,638 0.057,639 -0.178,640 -0.081,641 -0.157,642 -0.104,643 -0.121,644 -0.115,645 0.159,646 0.027,647 -0.113,648 -0.119,649 0.123,650 -0.151,651 -0.016,652 -0.081,654 -0.076,655 0.006,656 -0.04,657 1.449,658 3.837,659 0.857,660 28.245,661 1.002,662 1.13,663 2.697,664 7.276,665 0.663,666 3.466,667 3.738,668 3.97,669 4.22,670 4.466,671 4.466,672 4.635,673 4.736,674 4.868,675 4.913,676 6.556,677 0.633,678 377.49,679 3.466,680 4.977,681 5.802,682 6.653,683 7.495,684 8.353,685 9.205,686 10.068,687 10.925,688 11.791,689 9.8,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 51,733 18,734 1,735 31,737 54,738 21,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 6,778 1,781 23,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 28,853 1,854 6,855 1,856 1,859 1,870 3.9,872 1,874 1,877 13.333,878 8.917,879 6.222,880 3.036,881 2.856,882 1.388,883 0.974,884 6,885 10.216,886 3.714,887 4.256,888 4.785,889 5.336,890 5.88,891 6.004,892 6.403,893 6.72,894 7.081,895 7.32,896 0.857,897 40,898 10.326,900 4.31,901 7.643,902 19.925,904 16.117,905 2.143,906 60,909 1,910 247.193,911 115.82,912 71.492,914 53.683,917 115.82,918 300.876,919 71.492,921 18.036,922 66.334,923 145.593,924 30.347,925 4.227,926 223.651,928 247.193,929 187.312,930 53.683,933 223.651,934 66.226,935 11,937 40.787,938 78.157,939 68.367,941 247.193,942 125.175,943 115.82,946 247.193,947 31.391,948 87.553,949 18.011,950 104.04,951 247.193,952 125.175,953 115.82,955 0.565,956 0.319,957 0.176,958 0.1,959 19,960 7,961 0.111,962 6,964 1,965 4.104,966 238.498,968 24,969 127.851,974 18.665,975 9.001,976 4.986,978 125.175,979 16.688,980 13.591,984 4.455,986 60.694,987 488.188,988 40,999 51.116,1000 57.647,1001 0.274,1002 0.638,1003 0.823,1004 0.917,1005 0.917,1006 0.917,1007 4.916,1008 1.375,1009 5.74,1010 3.582,1011 4.419,1012 4.942,1013 1.324,1014 6.472,1015 4.313,1016 6.075,1017 1.148,1018 7.238,1019 3.219,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.34,1026 1,1027 8.834,1028 2.631,1029 5.927,1030 7.037,1031 0.958,1032 10.269,1033 5.727,1034 8.639,1035 1,1036 10.492,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.863,1043 9.971,1044 1,1045 12.19,1046 2.258,1047 7.697,1048 9.402,1049 0.736,1050 14.402,1051 7.407,1052 11.325,1053 1,1054 13.917,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.335,1060 7.966,1061 12.698,1063 15.664,1064 2.136,1065 9.617,1066 11.91,1067 0.57,1068 18.71,1069 9.236,1070 3.028,1071 -0.384,1072 17.426,1074 10.452,1075 12.922,1076 0.125,1077 20.815,1078 10.02,1079 2.727,1080 9.72,1081 19.199,1082 -0.869,1083 11.633,1084 14.505,1085 0.439,1086 23.113,1087 11.159,1088 2.53,1089 8.707,1090 20.982,1091 4.042,1092 12.588,1093 15.661,1094 0.082,1095 25.298,1096 12.063,1097 2.388,1098 7.006,1099 22.773,1100 3.564,1101 13.711,1102 17.157,1103 0.334,1104 27.568,1105 13.143,1106 2.134,1107 6.857,1108 24.569,1109 3.444,1110 14.729,1111 18.402,1112 0.054,1113 29.792,1114 14.111,1115 1.772,1116 5.928,1117 26.371,1118 2.899,1119 15.828,1120 19.848,1121 0.252,1122 32.053,1123 15.165,1124 1.544,1125 4.44,1126 28.177,1127 2.749,1128 16.881,1129 21.149,1130 0.035,1131 34.296,1132 16.169,1133 9593,1134 15540,1135 21.553,1136 33.79,1137 45.521,1138 45.631,1139 45.452,1140 45.338,1141 45.291,1142 58.303,1143 4.12,1144 122.19,1145 42.828,1146 5.373,1147 5.184,1148 6.119,1149 5.079,1150 5.028,1151 7.042,1152 1.72,1153 16.234,1154 4.89,1155 6.983,1156 1.468,1157 1.472,1158 1.466,1159 1.463,1160 1.461,1161 1.881,1162 0.133,1163 3.942,1164 1.382,1165 4.008,1166 4.049,1167 3.965,1168 3.904,1169 6.471,1170 3.912,1171 3.884,1172 3.925,1173 3.816,1174 3.79,1175 4.997,1176 3.79,1177 3.801,1178 3.847,1179 3.729,1180 3.624,1181 4.891,1182 3.646,1183 3.649,1184 3.703,1185 3.548,1186 3.458,1187 4.613,1188 3.471,1189 3.39,1190 3.465,1191 3.251,1192 3.215,1193 4.565,1194 3.211,1195 3.111,1196 3.206,1197 2.891,1198 2.941,1199 4.195,1200 2.91,1201 2.97,1202 3.014,1203 2.866,1204 2.794,1205 3.876,1206 2.806,1207 2.943,1208 3.008,1209 2.835,1210 2.745,1211 3.855,1212 2.745,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.373,1219 0.13,1220 3.184,1221 0.028,1222 6.317,1223 0.314,1224 3.976,1225 0.093,1226 3.028,1227 4.042,1228 0.86,1229 9.72,1230 2.89,1231 1.941,1232 1.914,1233 2.032,1234 2.074,1235 1.208,1236 2.058,1237 1.865,1238 1.827,1239 1.997,1240 1.989,1241 1.19,1242 1.994,1243 1.739,1244 1.687,1245 1.918,1246 1.942,1247 1.097,1248 1.939,1249 1.59,1250 1.538,1251 1.753,1252 1.8,1253 0.825,1254 1.79,1255 1.372,1256 1.303,1257 1.597,1258 1.583,1259 0.821,1260 1.593,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.688,1266 1.429,1267 0.911,1268 0.861,1269 1.161,1270 1.159,1271 0.276,1272 1.152,1273 0.883,1274 0.836,1275 1.138,1276 1.152,1277 0.262,1278 1.135,1279 4.143,1281 5.425,1283 6.907,1285 8.475,1287 10.088,1294 9.837,1295 4.459,1296 3.398,1297 5.444,1300 2.127,1305 32.278,1306 79.403,1307 184.584,1308 238.132,1309 265.294,1310 265.294,1311 265.294,1312 38.449,1313 7.36,1314 83.4,1315 83.4,1316 24,1317 12.339,1318 4.248,1319 3.322,1320 42.185,1321 108,1322 118,1323 0.186,1324 198.253,1325 338.54,1326 475.498,1327 15071,1329 19.184,1330 0.685,1331 0.557,1332 19.184,1333 15.583,1334 13.776,1335 0.444,1336 0.304,1337 9.267,1338 13.196,1339 9.117,1340 7.509,1341 13.776,1342 9.418,1343 11.958,1344 0.292,1345 0.162,1346 11.958,1347 6.626,1348 9.787,1349 0.188,1350 0.088,1351 9.787,1352 4.593,1353 8.225,1354 0.123,1355 0.047,1356 8.225,1357 3.124,1358 6.831,1359 0.079,1360 0.024,1361 6.831,1362 2.098,1363 0.289,1364 86.579,1365 0.215,1366 26.822,1367 0.514,1368 144,1369 414.799,1370 158.835,1371 400.281,1372 551.24,1373 378,1374 165,1375 404.92,1376 179.921,1377 409.484,1378 595.47,1379 386,1380 6.585}
{0 CHEMBL1644567,1 1.557,2 10.536,3 3.204,4 10.263,5 110.347,6 7.402,7 0.581,8 4.041,9 4.162,10 3.606,11 3.545,12 5.135,13 3.538,14 4.567,15 4.745,16 3.918,17 3.913,18 5.625,19 3.88,20 4.801,21 5.024,22 3.918,23 4.033,24 5.76,25 3.96,26 4.787,27 5.032,28 3.84,29 3.978,30 5.722,31 3.885,32 4.767,33 5.016,34 3.879,35 3.943,36 5.762,37 3.874,38 4.704,39 4.921,40 3.872,41 3.962,42 5.676,43 3.9,44 4.777,45 4.997,46 3.872,47 4.029,48 5.758,49 3.934,50 4.881,51 5.133,52 3.771,53 4.047,54 5.734,55 3.917,56 0.038,57 0.78,58 10.611,59 4.352,60 9.224,61 5.811,62 0.287,63 1.232,64 20.048,65 7.068,66 25.439,67 9.617,68 0.362,69 1.446,70 27.028,71 8.842,72 35.111,73 12.751,74 0.278,75 1.433,76 26.816,77 8.825,78 34.336,79 13.155,80 0.444,81 1.399,82 26.813,83 7.837,84 46.027,85 12.061,86 0.284,87 1.371,88 23.856,89 7.505,90 27.342,91 10.992,92 0.401,93 1.41,94 25.883,95 9.098,96 37.602,97 13.18,98 0.288,99 1.435,100 30.208,101 11.117,102 37.388,103 15.816,104 2,105 41,106 0.26,107 0.606,108 0.768,109 0.844,110 0.844,111 0.844,112 3.375,113 0.911,114 -3.93,115 -3.88,116 -3.68,119 41.2,121 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 3,175 5,178 1,180 4,183 8,186 1,187 3,192 3,195 4,199 6,202 2,204 4,207 2,211 2,212 6,215 1,217 3,220 2,224 6,227 1,229 1,232 3,237 6,240 3,241 1,242 1,245 3,249 1,250 7,258 5,263 2,268 1,271 6,275 1328,276 19.43,277 19.43,278 19.43,279 19.43,280 19.43,281 17.294,282 22.324,283 11.957,284 19.994,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 12.202,291 31.517,292 5.781,293 16.289,294 4.115,295 2.053,296 1.082,297 0.627,298 0.627,299 0.627,300 4.078,304 1,305 1,306 644,307 2.55,311 376.948,318 1.531,319 22.674,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 295,332 4.373,333 3.184,334 6.317,335 3.976,336 3.028,337 4.042,338 0.86,339 9.72,340 2.89,341 4.023,342 2.889,343 6.033,344 3.671,345 2.727,346 3.564,347 0.8,348 8.707,349 2.555,350 3.897,351 2.739,352 5.359,353 3.519,354 2.53,355 3.444,356 0.4,357 7.006,358 2.503,359 3.647,360 2.601,361 5.306,362 3.331,363 2.388,364 2.899,366 6.857,367 2.244,368 3.462,369 2.327,370 5,371 3.078,372 2.134,373 2.749,375 5.928,376 2.008,377 2.963,378 2.259,379 4.435,380 2.671,381 1.772,382 2.112,384 4.44,385 1.59,386 2.918,387 1.667,388 4.137,389 2.483,390 1.544,391 2.03,393 3.582,394 1.446,395 2.79,396 1.542,397 3.676,398 2.333,399 1.375,400 1.887,402 3.219,403 1.312,404 2.554,405 1.34,406 3.494,407 2.096,408 1.148,409 1.578,411 2.631,412 1.086,413 2.5,414 1.256,415 3.469,416 1.984,417 1,418 1.5,420 2.476,421 0.983,422 2.229,423 1.15,424 3.319,425 1.953,426 1,427 1.202,428 2.258,429 0.95,430 2.179,431 1.034,432 3.247,433 1.952,434 1,435 1.144,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.908,442 1,443 1,445 2.136,446 0.9,447 1.22,448 0.205,449 2.712,450 0.949,456 0.981,457 -0.057,458 2.653,459 0.563,460 -0.384,461 -0.493,463 -0.869,464 -0.357,465 13.167,466 0.47,467 0.482,468 0.017,469 38.5,470 1.375,471 19.5,472 0.696,473 19,474 0.679,475 20.764,476 0.742,477 30.033,478 0.589,479 27.565,480 0.984,481 7.682,482 0.274,483 6.094,484 0.218,485 0.025,487 0.258,493 0.96,494 1.438,495 0.8,496 1.134,497 0.916,498 0.972,499 1.13,500 1.033,501 0.984,502 0.984,503 0.75,504 0.965,505 1.118,506 1.091,507 1.04,508 0.973,509 1.018,510 0.989,511 0.782,512 1.147,513 0.979,514 1.071,515 0.865,516 1.048,517 0.878,518 1,519 0.927,520 0.838,521 0.81,522 0.861,523 1.094,524 1.091,525 1.109,526 1.011,527 0.936,528 1.031,529 0.699,530 1.052,531 1.066,532 1.121,533 0.664,534 1.138,535 0.803,536 0.959,537 0.983,538 1.1,539 0.8,540 1.08,541 4.5,542 0.062,543 2,544 1.063,545 1.018,546 0.903,547 0.347,548 0.222,549 0.303,550 0.153,551 10199,552 26500,553 2.159,554 45.1,556 17,558 2,559 2,561 2,564 1.715,565 2.1,566 3.383,567 0.247,568 1,569 1,573 79.403,574 1.557,575 3.619,576 4.591,577 5.045,578 5.045,579 5.045,580 2.717,581 4.379,582 4.776,583 3.551,584 1342.28,585 8.333,586 18132.4,588 1,590 1,591 289.294,592 1.018,593 4.772,594 0.145,595 0.003,596 0.049,597 0.027,598 0.028,599 0.024,600 0.009,601 0.006,602 0.009,603 0.005,604 0.305,605 0.33,606 1,607 0.343,608 140.672,609 -0.073,610 -0.245,611 0.053,612 -0.075,613 -0.07,614 -0.006,615 -0.046,616 0.095,617 -0.053,619 0.037,620 -0.029,621 -0.119,622 -0.059,623 -0.075,625 -0.108,626 -0.027,627 -0.005,628 -0.122,629 -0.02,630 -0.107,631 -0.052,632 -0.073,633 0.052,634 0.047,635 0.059,636 0.087,637 0.063,638 0.081,639 -0.171,640 0.016,641 -0.162,642 -0.065,643 -0.127,644 -0.096,645 0.13,646 -0.009,647 -0.128,648 -0.129,649 0.1,650 -0.16,651 0.004,652 -0.04,653 -0.014,654 -0.079,655 0.015,656 -0.053,657 1.448,658 3.838,659 0.857,660 28.245,661 1.002,662 1.13,663 2.697,664 7.276,665 0.663,666 3.466,667 3.738,668 3.97,669 4.22,670 4.466,671 4.466,672 4.635,673 4.736,674 4.868,675 4.913,676 6.556,677 0.633,678 377.49,679 3.466,680 4.977,681 5.802,682 6.653,683 7.495,684 8.353,685 9.205,686 10.068,687 10.925,688 11.791,689 9.8,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 51,733 18,734 1,735 31,737 54,738 21,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 6,778 1,781 23,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 28,853 1,854 6,855 1,856 1,859 1,870 3.9,872 1,874 1,877 13.333,878 8.917,879 6.222,880 3.036,881 2.856,882 1.388,883 0.974,884 6,885 10.216,886 3.714,887 4.256,888 4.785,889 5.336,890 5.88,891 6.004,892 6.403,893 6.72,894 7.081,895 7.32,896 0.857,897 40,898 10.325,900 4.309,901 7.643,902 19.925,904 16.117,905 2.143,906 60,909 1,910 247.193,911 115.82,912 71.492,914 53.683,917 115.82,918 300.876,919 71.492,921 18.036,922 66.334,923 145.593,924 30.347,925 4.227,926 223.651,928 247.193,929 187.312,930 53.683,933 223.651,934 66.226,935 11,937 40.787,938 78.157,939 68.367,941 247.193,942 125.175,943 115.82,946 247.193,947 31.391,948 87.553,949 18.011,950 104.04,951 247.193,952 125.175,953 115.82,955 0.565,956 0.319,957 0.176,958 0.1,959 19,960 7,961 0.111,962 6,964 1,965 4.104,966 238.498,968 24,969 126.606,974 18.665,975 9.001,976 4.986,978 125.175,979 16.674,980 13.494,984 4.515,986 60.694,987 488.188,988 40,999 51.116,1000 57.647,1001 0.274,1002 0.638,1003 0.809,1004 0.889,1005 0.889,1006 0.889,1007 4.916,1008 1.375,1009 5.74,1010 3.582,1011 4.419,1012 4.942,1013 1.324,1014 6.472,1015 4.313,1016 6.075,1017 1.148,1018 7.238,1019 3.219,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.34,1026 1,1027 8.834,1028 2.631,1029 5.927,1030 7.037,1031 0.958,1032 10.269,1033 5.729,1034 8.639,1035 1,1036 10.492,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.865,1043 9.971,1044 1,1045 12.19,1046 2.258,1047 7.697,1048 9.402,1049 0.736,1050 14.402,1051 7.41,1052 11.325,1053 1,1054 13.917,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.335,1060 7.97,1061 12.698,1063 15.664,1064 2.136,1065 9.617,1066 11.91,1067 0.57,1068 18.71,1069 9.241,1070 3.028,1071 -0.384,1072 17.426,1074 10.452,1075 12.922,1076 0.125,1077 20.815,1078 10.025,1079 2.727,1080 9.72,1081 19.199,1082 -0.869,1083 11.633,1084 14.505,1085 0.439,1086 23.113,1087 11.165,1088 2.53,1089 8.707,1090 20.982,1091 4.042,1092 12.588,1093 15.661,1094 0.082,1095 25.298,1096 12.069,1097 2.388,1098 7.006,1099 22.773,1100 3.564,1101 13.711,1102 17.157,1103 0.334,1104 27.568,1105 13.148,1106 2.134,1107 6.857,1108 24.569,1109 3.444,1110 14.729,1111 18.402,1112 0.054,1113 29.792,1114 14.116,1115 1.772,1116 5.928,1117 26.371,1118 2.899,1119 15.828,1120 19.848,1121 0.252,1122 32.053,1123 15.171,1124 1.544,1125 4.44,1126 28.177,1127 2.749,1128 16.881,1129 21.149,1130 0.035,1131 34.296,1132 16.174,1133 9593,1134 15584,1135 21.553,1136 33.79,1137 45.521,1138 45.631,1139 45.452,1140 45.343,1141 45.291,1142 58.303,1143 4.12,1144 122.19,1145 42.824,1146 5.373,1147 5.184,1148 6.119,1149 5.079,1150 5.028,1151 7.042,1152 1.72,1153 16.234,1154 4.89,1155 6.983,1156 1.468,1157 1.472,1158 1.466,1159 1.463,1160 1.461,1161 1.881,1162 0.133,1163 3.942,1164 1.381,1165 4.008,1166 4.049,1167 3.965,1168 3.905,1169 6.471,1170 3.912,1171 3.885,1172 3.926,1173 3.817,1174 3.793,1175 4.997,1176 3.793,1177 3.801,1178 3.847,1179 3.729,1180 3.624,1181 4.894,1182 3.646,1183 3.648,1184 3.703,1185 3.548,1186 3.457,1187 4.613,1188 3.47,1189 3.383,1190 3.46,1191 3.245,1192 3.19,1193 4.565,1194 3.191,1195 3.111,1196 3.206,1197 2.89,1198 2.941,1199 4.202,1200 2.91,1201 2.969,1202 3.009,1203 2.866,1204 2.779,1205 3.885,1206 2.796,1207 2.929,1208 2.995,1209 2.822,1210 2.745,1211 3.86,1212 2.744,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.373,1219 0.13,1220 3.184,1221 0.028,1222 6.317,1223 0.314,1224 3.976,1225 0.093,1226 3.028,1227 4.042,1228 0.86,1229 9.72,1230 2.89,1231 1.941,1232 1.914,1233 2.032,1234 2.074,1235 1.211,1236 2.059,1237 1.868,1238 1.83,1239 1.999,1240 1.989,1241 1.194,1242 1.995,1243 1.739,1244 1.687,1245 1.918,1246 1.942,1247 1.098,1248 1.939,1249 1.589,1250 1.537,1251 1.748,1252 1.799,1253 0.825,1254 1.788,1255 1.355,1256 1.281,1257 1.584,1258 1.579,1259 0.812,1260 1.586,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.677,1266 1.429,1267 0.892,1268 0.85,1269 1.181,1270 1.158,1271 0.267,1272 1.14,1273 0.886,1274 0.833,1275 1.144,1276 1.144,1277 0.218,1278 1.132,1279 4.143,1281 5.425,1283 6.907,1285 8.475,1287 10.088,1294 9.838,1295 4.499,1296 3.405,1297 5.445,1300 2.129,1305 32.278,1306 79.403,1307 184.584,1308 234.132,1309 257.294,1310 257.294,1311 257.294,1312 38.254,1313 7.36,1314 83.4,1315 83.4,1316 24,1317 12.339,1318 4.248,1319 3.322,1320 42.185,1321 108,1322 118,1323 0.186,1324 198.253,1325 338.54,1326 475.498,1327 15071,1329 19.184,1330 0.685,1331 0.557,1332 19.184,1333 15.583,1334 13.776,1335 0.444,1336 0.304,1337 9.267,1338 13.192,1339 9.118,1340 7.507,1341 13.776,1342 9.418,1343 11.958,1344 0.292,1345 0.161,1346 11.958,1347 6.62,1348 9.787,1349 0.188,1350 0.089,1351 9.787,1352 4.619,1353 8.225,1354 0.123,1355 0.047,1356 8.225,1357 3.127,1358 6.831,1359 0.079,1360 0.024,1361 6.831,1362 2.096,1363 0.289,1364 86.579,1365 0.215,1366 26.822,1367 0.514,1368 144,1369 414.799,1370 158.835,1371 400.15,1372 551.2,1373 378,1374 165,1375 404.92,1376 179.754,1377 409.19,1378 595.07,1379 386,1380 6.854}
{0 CHEMBL1644568,1 1.579,2 9.667,3 3.311,4 10.962,5 105.221,6 7.572,7 0.6,8 3.989,9 4.107,10 3.573,11 3.493,12 5.102,13 3.493,14 4.507,15 4.679,16 3.894,17 3.853,18 5.596,19 3.832,20 4.733,21 4.951,22 3.893,23 3.965,24 5.732,25 3.905,26 4.699,27 4.934,28 3.805,29 3.912,30 5.667,31 3.832,32 4.685,33 4.922,34 3.875,35 3.889,36 5.717,37 3.829,38 4.659,39 4.879,40 3.87,41 3.88,42 5.673,43 3.844,44 4.685,45 4.899,46 3.869,47 3.94,48 5.732,49 3.869,50 4.776,51 5.018,52 3.749,53 3.979,54 5.663,55 3.868,56 0.049,57 0.741,58 9.654,59 4.023,60 8.532,61 5.258,62 0.289,63 1.17,64 18.305,65 6.466,66 24.266,67 8.625,68 0.408,69 1.37,70 24.878,71 7.957,72 35.993,73 11.272,74 0.291,75 1.337,76 23.994,77 7.9,78 31.14,79 11.568,80 0.37,81 1.313,82 23.993,83 7.665,84 40.184,85 11.364,86 0.318,87 1.317,88 22.782,89 6.449,90 28.615,91 9.501,92 0.486,93 1.316,94 23.173,95 7.755,96 38.804,97 11.186,98 0.267,99 1.325,100 26.663,101 9.802,102 32.555,103 13.824,104 2,105 40,106 0.267,107 0.612,108 0.776,109 0.861,110 0.868,111 0.868,112 3.34,113 0.893,114 -3.7,115 -3.67,116 -3.49,119 41.7,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 2,175 6,178 2,180 2,183 6,186 1,187 3,190 1,192 3,195 4,198 1,199 3,202 1,204 4,207 1,211 3,212 8,215 1,217 4,220 1,224 4,229 1,236 2,237 8,240 3,241 1,242 1,245 2,250 5,258 4,263 3,271 5,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 22.324,283 11.471,284 19.275,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 34.373,292 5.554,293 15.794,294 4.006,295 1.969,296 1,297 0.5,298 0.458,299 0.458,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 22.685,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 261,332 4.374,333 3.185,334 6.317,335 3.98,336 3.029,337 4.043,338 0.86,339 9.721,340 2.897,341 4.025,342 2.892,343 6.033,344 3.676,345 2.727,346 3.567,347 0.8,348 8.707,349 2.572,350 3.898,351 2.792,352 5.407,353 3.502,354 2.548,355 3.442,356 0.657,357 7.14,358 2.434,359 3.641,360 2.56,361 5.254,362 3.289,363 2.357,364 2.899,366 6.713,367 2.189,368 3.454,369 2.299,370 4.996,371 3.058,372 2.117,373 2.743,375 5.913,376 1.982,377 2.962,378 2.244,379 4.432,380 2.676,381 1.764,382 2.102,384 4.428,385 1.607,386 2.893,387 1.636,388 4.137,389 2.47,390 1.493,391 2.013,393 3.577,394 1.455,395 2.789,396 1.507,397 3.635,398 2.329,399 1.365,400 1.887,402 3.134,403 1.309,404 2.551,405 1.338,406 3.492,407 2.08,408 1.126,409 1.575,411 2.621,412 1.071,413 2.5,414 1.256,415 3.469,416 1.959,417 1,418 1.5,420 2.476,421 0.956,422 2.2,423 1.05,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.909,434 1,435 1,436 2.136,437 0.902,438 1.822,439 0.796,440 3.12,441 1.532,442 0.604,443 0.714,445 1.432,446 0.559,447 0.99,448 -0.057,449 2.662,450 0.575,451 -0.378,452 -0.487,454 -0.867,455 -0.354,456 0.929,457 -0.185,458 2.545,459 0.54,460 -0.401,461 -0.501,463 -1.033,464 -0.377,465 12.667,466 0.469,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 19.032,476 0.705,477 28.733,478 0.599,479 27.243,480 1.009,481 7.662,482 0.284,483 5.614,484 0.208,485 0.026,487 0.268,493 0.965,494 1.434,495 0.779,496 1.117,497 0.934,498 0.95,499 1.136,500 1.065,501 0.965,502 0.984,503 0.751,504 0.953,505 1.159,506 1.044,507 1.052,508 0.931,509 1.052,510 0.963,511 0.825,512 1.124,513 1.004,514 1.057,515 0.891,516 1.046,517 0.728,518 1.091,519 0.835,520 0.939,521 0.662,522 0.902,523 1.275,524 1.154,525 1.079,526 0.92,527 1.034,528 0.931,529 0.71,530 0.985,531 1.044,532 1.029,533 0.708,534 1.07,535 0.831,536 0.961,537 0.981,538 1.077,539 0.842,540 1.058,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 23557,553 2.165,554 43.8,556 18,558 1,559 2,564 1.707,565 2.104,566 3.272,567 0.267,568 1,569 1,573 75.791,574 1.579,575 3.616,576 4.585,577 5.085,578 5.127,579 5.127,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 268.078,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.084,610 -0.255,611 0.052,612 -0.078,613 -0.096,614 -0.006,615 -0.051,616 0.059,617 -0.048,618 -0.014,619 0.032,620 -0.035,621 -0.124,622 -0.003,623 -0.087,624 0.024,625 -0.114,626 -0.019,627 -0.036,628 -0.086,629 -0.052,630 -0.099,631 -0.072,632 -0.081,633 0.137,634 -0.061,635 0.136,636 0.011,637 0.17,638 0.06,639 -0.245,640 -0.048,641 -0.115,642 -0.015,643 -0.154,644 -0.028,645 0.196,646 0.086,647 -0.103,648 -0.07,649 0.12,650 -0.124,651 -0.037,652 -0.026,653 -0.018,654 -0.056,655 -0.022,656 -0.033,657 1.456,658 3.82,659 0.889,660 25.317,661 1.005,662 1.13,663 2.474,664 6.123,665 0.667,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.641,678 363.46,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 10.4,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 48,733 18,734 1,735 30,737 51,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 21,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,855 1,856 1,859 1,870 4.2,872 1,874 1,877 12.833,878 8.417,879 5.972,880 2.797,881 2.885,882 1.394,883 0.978,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.948,900 4.169,901 7.667,902 19.108,904 15.442,905 2.167,906 58.5,909 1,910 223.651,911 113.285,912 71.492,914 53.683,917 113.285,918 277.334,919 71.492,921 15.502,922 75.81,923 133.822,924 20.871,925 4.227,926 211.88,928 223.651,929 184.777,930 53.683,933 223.651,934 42.683,935 11,937 31.962,938 84.448,939 68.367,941 223.651,942 125.175,943 113.285,946 223.651,947 28.428,948 87.982,949 18.011,950 104.04,951 223.651,952 125.175,953 113.285,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.098,962 5,964 1,965 3.982,966 230.128,968 24,969 124.382,974 17.712,975 8.336,976 4.536,978 125.175,979 16.588,980 13.634,984 4.093,986 60.694,987 462.111,988 39,999 48.232,1000 54.232,1001 0.283,1002 0.647,1003 0.821,1004 0.91,1005 0.918,1006 0.918,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.459,1014 6.46,1015 4.284,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.589,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.074,1032 10.267,1033 5.697,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.839,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 0.807,1050 14.403,1051 7.378,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.943,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 0.608,1068 18.712,1069 9.212,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 10.002,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 0.458,1086 23.115,1087 11.143,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 12.053,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 0.343,1104 27.57,1105 13.136,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.111,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 0.256,1122 32.055,1123 15.17,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.179,1133 8433,1134 13795,1135 20.86,1136 32.029,1137 44.415,1138 44.554,1139 44.237,1140 44.298,1141 44.261,1142 57.314,1143 4.635,1144 120.264,1145 41.76,1146 5.374,1147 5.185,1148 6.119,1149 5.084,1150 5.029,1151 7.043,1152 1.72,1153 16.234,1154 4.897,1155 6.783,1156 1.48,1157 1.485,1158 1.475,1159 1.477,1160 1.475,1161 1.91,1162 0.154,1163 4.009,1164 1.392,1165 4.009,1166 4.05,1167 3.967,1168 3.904,1169 6.471,1170 3.912,1171 3.871,1172 3.912,1173 3.807,1174 3.766,1175 5.007,1176 3.77,1177 3.801,1178 3.846,1179 3.726,1180 3.632,1181 4.874,1182 3.651,1183 3.623,1184 3.677,1185 3.531,1186 3.418,1187 4.617,1188 3.437,1189 3.273,1190 3.348,1191 3.143,1192 3.098,1193 4.569,1194 3.098,1195 3.111,1196 3.206,1197 2.879,1198 2.941,1199 4.074,1200 2.91,1201 2.96,1202 2.995,1203 2.866,1204 2.768,1205 3.952,1206 2.784,1207 2.903,1208 2.96,1209 2.78,1210 2.745,1211 3.828,1212 2.742,1213 0.146,1214 0.106,1215 0.211,1216 0.133,1217 0.101,1218 4.374,1219 0.135,1220 3.185,1221 0.029,1222 6.317,1223 0.324,1224 3.98,1225 0.097,1226 3.029,1227 4.043,1228 0.86,1229 9.721,1230 2.897,1231 1.941,1232 1.915,1233 2.029,1234 2.075,1235 1.213,1236 2.059,1237 1.844,1238 1.804,1239 1.969,1240 1.976,1241 1.096,1242 1.977,1243 1.745,1244 1.695,1245 1.922,1246 1.942,1247 1.045,1248 1.94,1249 1.55,1250 1.498,1251 1.693,1252 1.77,1253 0.825,1254 1.752,1255 1.251,1256 1.181,1257 1.513,1258 1.47,1259 0.739,1260 1.483,1261 1.153,1262 1.064,1263 1.498,1264 1.376,1265 0.64,1266 1.429,1267 0.883,1268 0.844,1269 1.143,1270 1.152,1271 0.247,1272 1.133,1273 0.877,1274 0.826,1275 1.097,1276 1.108,1277 0.16,1278 1.107,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.82,1295 3.476,1296 3.26,1297 5.445,1300 2.184,1305 30.751,1306 75.791,1307 173.575,1308 220.078,1309 244.078,1310 246.078,1311 246.078,1312 35.394,1313 7.313,1314 83.4,1315 83.4,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 188.661,1325 321.24,1326 452.093,1327 13821,1329 18.476,1330 0.684,1331 0.551,1332 18.476,1333 14.876,1334 13.276,1335 0.443,1336 0.298,1337 8.778,1338 12.701,1339 8.639,1340 7.111,1341 13.276,1342 8.928,1343 11.605,1344 0.29,1345 0.156,1346 11.605,1347 6.259,1348 9.546,1349 0.187,1350 0.085,1351 9.546,1352 4.343,1353 8.001,1354 0.121,1355 0.045,1356 8.001,1357 2.953,1358 6.763,1359 0.079,1360 0.023,1361 6.763,1362 2.006,1363 0.301,1364 83.533,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 410.799,1370 155.168,1371 395.921,1372 546.36,1373 374,1374 161,1375 403.272,1376 176.115,1377 406.779,1378 592.73,1379 384,1380 6}
{0 CHEMBL1644569,1 1.579,2 9.667,3 2.882,4 8.308,5 105.593,6 7.572,7 0.6,8 3.989,9 4.107,10 3.573,11 3.493,12 5.104,13 3.493,14 4.507,15 4.68,16 3.891,17 3.858,18 5.592,19 3.835,20 4.729,21 4.941,22 3.894,23 3.975,24 5.722,25 3.912,26 4.726,27 4.971,28 3.807,29 3.918,30 5.687,31 3.835,32 4.675,33 4.908,34 3.87,35 3.888,36 5.7,37 3.83,38 4.663,39 4.884,40 3.874,41 3.885,42 5.693,43 3.848,44 4.681,45 4.891,46 3.864,47 3.95,48 5.716,49 3.875,50 4.783,51 5.025,52 3.748,53 3.996,54 5.663,55 3.88,56 0.049,57 0.741,58 9.654,59 4.023,60 8.865,61 5.258,62 0.298,63 1.168,64 18.334,65 6.48,66 24.214,67 8.62,68 0.354,69 1.366,70 24.481,71 8.136,72 33.228,73 11.481,74 0.344,75 1.36,76 25.099,77 8.064,78 34.372,79 11.871,80 0.32,81 1.301,82 23.578,83 7.511,84 37.186,85 11.191,86 0.379,87 1.328,88 22.922,89 6.465,90 32.608,91 9.429,92 0.443,93 1.307,94 22.901,95 7.934,96 36.377,97 11.397,98 0.289,99 1.332,100 26.832,101 10.079,102 32.041,103 14.105,104 2,105 40,106 0.267,107 0.62,108 0.792,109 0.868,110 0.868,111 0.868,112 3.34,113 0.892,114 -3.7,115 -3.67,116 -3.49,119 41.7,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 6,174 2,175 6,178 2,180 3,183 6,186 1,187 3,192 3,195 4,198 1,199 5,202 2,204 4,207 1,211 1,212 8,215 1,217 3,220 1,223 2,224 5,229 1,232 2,236 1,237 4,240 3,241 1,242 1,245 4,249 1,250 5,258 5,263 4,268 1,271 4,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 22.324,283 11.471,284 19.274,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 34.373,292 5.554,293 15.782,294 4.006,295 1.92,296 0.909,297 0.458,298 0.458,299 0.458,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 22.399,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 261,332 4.374,333 3.185,334 6.317,335 3.981,336 3.029,337 4.043,338 0.86,339 9.721,340 2.898,341 4.025,342 2.892,343 6.033,344 3.676,345 2.727,346 3.567,347 0.8,348 8.707,349 2.573,350 3.898,351 2.792,352 5.407,353 3.521,354 2.548,355 3.442,356 0.657,357 7.14,358 2.485,359 3.641,360 2.56,361 5.254,362 3.291,363 2.357,364 2.899,366 6.713,367 2.191,368 3.454,369 2.299,370 4.996,371 3.059,372 2.117,373 2.743,375 5.913,376 1.983,377 2.962,378 2.244,379 4.432,380 2.674,381 1.764,382 2.102,384 4.428,385 1.603,386 2.893,387 1.636,388 4.137,389 2.446,390 1.493,391 2.013,393 3.577,394 1.419,395 2.789,396 1.507,397 3.635,398 2.328,399 1.365,400 1.887,402 3.134,403 1.308,404 2.551,405 1.338,406 3.492,407 2.08,408 1.126,409 1.575,411 2.621,412 1.071,413 2.5,414 1.256,415 3.469,416 1.956,417 1,418 1.5,420 2.476,421 0.954,422 2.2,423 1.05,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.909,434 1,435 1,436 2.136,437 0.902,438 1.822,439 0.796,440 3.12,441 1.535,442 0.604,443 0.714,445 1.432,446 0.561,447 0.99,448 -0.057,449 2.662,450 0.574,451 -0.378,452 -0.487,454 -0.867,455 -0.353,456 0.929,457 -0.185,458 2.545,459 0.538,460 -0.401,461 -0.501,463 -1.033,464 -0.375,465 12.667,466 0.469,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 19.052,476 0.706,477 28.733,478 0.599,479 27.222,480 1.008,481 7.658,482 0.284,483 5.618,484 0.208,485 0.026,487 0.268,493 0.965,494 1.434,495 0.779,496 1.117,497 0.926,498 0.95,499 1.148,500 1.01,501 0.972,502 0.953,503 0.759,504 0.936,505 1.119,506 1.157,507 1.05,508 1.017,509 1.018,510 1.021,511 0.822,512 1.009,513 0.988,514 0.979,515 0.885,516 0.991,517 0.776,518 1.195,519 0.844,520 0.972,521 0.697,522 0.917,523 1.269,524 1.013,525 1.107,526 0.872,527 1.048,528 0.919,529 0.676,530 1.042,531 1.031,532 1.073,533 0.665,534 1.096,535 0.79,536 0.885,537 0.986,538 1.066,539 0.816,540 1.062,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 23709,553 2.165,554 43.8,556 17,558 2,559 2,564 1.707,565 2.104,566 3.272,567 0.267,568 1,569 1,573 75.791,574 1.579,575 3.665,576 4.676,577 5.127,578 5.127,579 5.127,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 268.078,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.084,610 -0.255,611 0.052,612 -0.078,613 -0.088,614 -0.006,615 -0.064,616 0.114,617 -0.055,618 0.018,619 0.023,620 -0.017,621 -0.123,622 -0.124,623 -0.097,624 -0.045,625 -0.109,626 -0.066,627 -0.016,628 0.022,629 -0.023,630 -0.032,631 -0.061,632 -0.027,633 0.077,634 -0.165,635 0.12,636 -0.016,637 0.134,638 0.047,639 -0.213,640 0.107,641 -0.141,642 0.023,643 -0.148,644 -0.026,645 0.191,646 0.016,647 -0.099,648 -0.096,649 0.132,650 -0.136,651 -0.011,652 0.048,653 -0.026,654 -0.039,655 -0.016,656 -0.032,657 1.455,658 3.821,659 0.889,660 25.317,661 1.005,662 1.13,663 2.474,664 6.123,665 0.667,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.641,678 363.46,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 10.4,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 48,733 18,734 1,735 30,737 51,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 21,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,855 1,856 1,859 1,870 4.2,872 1,874 1,877 12.833,878 8.417,879 5.972,880 2.786,881 2.885,882 1.394,883 0.978,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.945,900 4.166,901 7.667,902 19.108,904 15.451,905 2.167,906 58.5,909 1,910 223.651,911 113.285,912 71.492,914 53.683,917 113.285,918 277.334,919 71.492,921 15.502,922 66.334,923 145.593,924 30.347,925 4.227,926 200.109,928 223.651,929 184.777,930 53.683,933 223.651,934 42.683,935 11,937 38.253,938 78.157,939 68.367,941 223.651,942 125.175,943 113.285,946 223.651,947 28.857,948 87.553,949 18.011,950 104.04,951 223.651,952 125.175,953 113.285,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.098,962 5,964 1,965 3.982,966 230.128,968 24,969 124.382,974 17.712,975 8.336,976 4.536,978 125.175,979 16.511,980 13.46,984 4.259,986 60.694,987 462.111,988 39,999 48.232,1000 54.232,1001 0.283,1002 0.656,1003 0.837,1004 0.918,1005 0.918,1006 0.918,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.459,1014 6.46,1015 4.286,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.074,1032 10.267,1033 5.707,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.863,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 0.807,1050 14.403,1051 7.395,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.97,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 0.608,1068 18.712,1069 9.235,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 10.03,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 0.458,1086 23.115,1087 11.168,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 12.081,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 0.343,1104 27.57,1105 13.161,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.136,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 0.256,1122 32.055,1123 15.193,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.202,1133 8433,1134 13835,1135 20.86,1136 32.029,1137 44.415,1138 44.554,1139 44.237,1140 44.29,1141 44.261,1142 57.314,1143 4.635,1144 120.264,1145 41.788,1146 5.374,1147 5.185,1148 6.119,1149 5.084,1150 5.029,1151 7.043,1152 1.72,1153 16.234,1154 4.898,1155 6.783,1156 1.48,1157 1.485,1158 1.475,1159 1.476,1160 1.475,1161 1.91,1162 0.154,1163 4.009,1164 1.393,1165 4.009,1166 4.05,1167 3.968,1168 3.905,1169 6.471,1170 3.913,1171 3.874,1172 3.914,1173 3.809,1174 3.775,1175 5.006,1176 3.778,1177 3.8,1178 3.846,1179 3.726,1180 3.631,1181 4.884,1182 3.65,1183 3.622,1184 3.676,1185 3.53,1186 3.416,1187 4.617,1188 3.435,1189 3.26,1190 3.338,1191 3.133,1192 3.069,1193 4.57,1194 3.073,1195 3.111,1196 3.206,1197 2.879,1198 2.941,1199 4.094,1200 2.91,1201 2.96,1202 2.995,1203 2.866,1204 2.768,1205 3.956,1206 2.783,1207 2.903,1208 2.96,1209 2.779,1210 2.745,1211 3.809,1212 2.742,1213 0.146,1214 0.106,1215 0.211,1216 0.133,1217 0.101,1218 4.374,1219 0.135,1220 3.185,1221 0.029,1222 6.317,1223 0.324,1224 3.981,1225 0.097,1226 3.029,1227 4.043,1228 0.86,1229 9.721,1230 2.898,1231 1.942,1232 1.915,1233 2.03,1234 2.075,1235 1.213,1236 2.059,1237 1.85,1238 1.812,1239 1.974,1240 1.977,1241 1.1,1242 1.979,1243 1.745,1244 1.695,1245 1.922,1246 1.942,1247 1.076,1248 1.94,1249 1.547,1250 1.496,1251 1.687,1252 1.768,1253 0.825,1254 1.749,1255 1.228,1256 1.154,1257 1.513,1258 1.461,1259 0.725,1260 1.47,1261 1.153,1262 1.064,1263 1.476,1264 1.376,1265 0.594,1266 1.429,1267 0.883,1268 0.844,1269 1.143,1270 1.152,1271 0.247,1272 1.133,1273 0.877,1274 0.826,1275 1.092,1276 1.108,1277 0.16,1278 1.107,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.821,1295 3.533,1296 3.283,1297 5.447,1300 2.187,1305 30.751,1306 75.791,1307 175.923,1308 224.427,1309 246.078,1310 246.078,1311 246.078,1312 35.386,1313 7.313,1314 83.4,1315 83.4,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 188.661,1325 321.24,1326 452.093,1327 13821,1329 18.476,1330 0.684,1331 0.551,1332 18.476,1333 14.876,1334 13.276,1335 0.443,1336 0.297,1337 8.767,1338 12.698,1339 8.624,1340 7.103,1341 13.276,1342 8.918,1343 11.605,1344 0.29,1345 0.157,1346 11.605,1347 6.3,1348 9.546,1349 0.187,1350 0.086,1351 9.546,1352 4.363,1353 8.001,1354 0.121,1355 0.045,1356 8.001,1357 2.965,1358 6.763,1359 0.079,1360 0.023,1361 6.763,1362 2.008,1363 0.301,1364 83.579,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 410.799,1370 154.835,1371 396.21,1372 545.52,1373 374,1374 161,1375 400.92,1376 175.921,1377 405.585,1378 590.15,1379 382,1380 6.056}
{0 CHEMBL1644570,1 1.579,2 9.667,3 2.882,4 8.308,5 105.593,6 7.572,7 0.6,8 3.989,9 4.107,10 3.573,11 3.493,12 5.104,13 3.493,14 4.507,15 4.68,16 3.891,17 3.858,18 5.593,19 3.835,20 4.729,21 4.941,22 3.89,23 3.979,24 5.718,25 3.916,26 4.722,27 4.961,28 3.807,29 3.928,30 5.676,31 3.842,32 4.702,33 4.945,34 3.872,35 3.893,36 5.719,37 3.833,38 4.653,39 4.869,40 3.869,41 3.884,42 5.675,43 3.849,44 4.685,45 4.896,46 3.867,47 3.954,48 5.735,49 3.879,50 4.779,51 5.018,52 3.743,53 4.005,54 5.646,55 3.886,56 0.049,57 0.741,58 9.654,59 4.023,60 8.865,61 5.258,62 0.298,63 1.168,64 18.334,65 6.48,66 24.548,67 8.62,68 0.362,69 1.364,70 24.511,71 8.149,72 33.176,73 11.476,74 0.29,75 1.356,76 24.702,77 8.243,78 31.607,79 12.079,80 0.373,81 1.325,82 24.683,83 7.675,84 40.418,85 11.494,86 0.329,87 1.316,88 22.507,89 6.31,90 29.61,91 9.257,92 0.504,93 1.317,94 23.042,95 7.95,96 40.37,97 11.324,98 0.247,99 1.322,100 26.56,101 10.257,102 29.614,103 14.316,104 2,105 40,106 0.267,107 0.62,108 0.777,109 0.84,110 0.84,111 0.84,112 3.34,113 0.892,114 -3.7,115 -3.67,116 -3.49,119 41.7,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 6,174 2,175 6,178 2,180 3,183 6,186 1,187 3,192 4,195 4,198 1,199 5,202 1,204 3,207 1,211 1,212 10,215 2,217 3,220 1,224 3,229 1,232 2,236 3,237 5,240 3,241 1,242 1,245 6,250 2,258 5,262 1,263 4,268 1,271 3,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 22.324,283 11.471,284 19.282,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 34.373,292 5.554,293 15.787,294 4.006,295 1.92,296 0.993,297 0.625,298 0.625,299 0.625,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 22.257,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 261,332 4.374,333 3.185,334 6.317,335 3.981,336 3.029,337 4.043,338 0.86,339 9.721,340 2.898,341 4.025,342 2.892,343 6.033,344 3.676,345 2.727,346 3.567,347 0.8,348 8.707,349 2.574,350 3.898,351 2.792,352 5.407,353 3.524,354 2.548,355 3.442,356 0.657,357 7.14,358 2.494,359 3.641,360 2.56,361 5.254,362 3.291,363 2.357,364 2.899,366 6.713,367 2.192,368 3.454,369 2.299,370 4.996,371 3.059,372 2.117,373 2.743,375 5.913,376 1.983,377 2.962,378 2.244,379 4.432,380 2.674,381 1.764,382 2.102,384 4.428,385 1.602,386 2.893,387 1.636,388 4.137,389 2.423,390 1.493,391 2.013,393 3.577,394 1.384,395 2.789,396 1.507,397 3.635,398 2.326,399 1.365,400 1.887,402 3.134,403 1.307,404 2.551,405 1.338,406 3.492,407 2.08,408 1.126,409 1.575,411 2.621,412 1.071,413 2.5,414 1.256,415 3.469,416 1.984,417 1,418 1.5,420 2.476,421 0.983,422 2.2,423 1.05,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.909,434 1,435 1,436 2.136,437 0.902,438 1.822,439 0.796,440 3.12,441 1.531,442 0.604,443 0.714,445 1.432,446 0.558,447 0.99,448 -0.057,449 2.662,450 0.575,451 -0.378,452 -0.487,454 -0.867,455 -0.354,456 0.929,457 -0.185,458 2.545,459 0.54,460 -0.401,461 -0.501,463 -1.033,464 -0.377,465 12.667,466 0.469,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 19.066,476 0.706,477 28.733,478 0.599,479 27.208,480 1.008,481 7.658,482 0.284,483 5.618,484 0.208,485 0.026,487 0.268,493 0.965,494 1.434,495 0.779,496 1.117,497 0.926,498 0.95,499 1.148,500 1.01,501 0.972,502 0.953,503 0.754,504 0.936,505 1.128,506 1.114,507 1.056,508 0.993,509 1.024,510 1.008,511 0.782,512 1.121,513 0.986,514 1.065,515 0.851,516 1.05,517 0.774,518 1.075,519 0.832,520 0.895,521 0.696,522 0.864,523 1.325,524 1.122,525 1.12,526 0.906,527 1.088,528 0.935,529 0.67,530 0.907,531 1.059,532 1.027,533 0.678,534 1.085,535 0.76,536 0.936,537 0.975,538 1.105,539 0.778,540 1.085,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 23861,553 2.165,554 43.8,556 17,558 2,559 2,564 1.707,565 2.104,566 3.272,567 0.267,568 1,569 1,573 75.791,574 1.579,575 3.665,576 4.592,577 4.96,578 4.96,579 4.96,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 268.078,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.084,610 -0.255,611 0.052,612 -0.078,613 -0.088,614 -0.006,615 -0.064,616 0.114,617 -0.055,618 0.018,619 0.028,620 -0.017,621 -0.133,622 -0.08,623 -0.103,624 -0.02,625 -0.116,626 -0.052,627 -0.015,628 -0.098,629 -0.033,630 -0.1,631 -0.057,632 -0.074,633 0.094,634 -0.052,635 0.146,636 0.05,637 0.14,638 0.098,639 -0.278,641 -0.16,642 -0.005,643 -0.19,644 -0.041,645 0.221,646 0.166,647 -0.124,648 -0.06,649 0.138,650 -0.134,651 -0.015,652 -0.013,653 -0.023,654 -0.062,655 -0.005,656 -0.043,657 1.453,658 3.822,659 0.889,660 25.317,661 1.005,662 1.13,663 2.474,664 6.123,665 0.667,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.641,678 363.46,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 10.4,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 48,733 18,734 1,735 30,737 51,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 21,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,855 1,856 1,859 1,870 4.2,872 1,874 1,877 12.833,878 8.417,879 5.972,880 2.786,881 2.885,882 1.394,883 0.978,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.944,900 4.164,901 7.667,902 19.108,904 15.451,905 2.167,906 58.5,909 1,910 223.651,911 113.285,912 71.492,914 53.683,917 113.285,918 277.334,919 71.492,921 15.502,922 66.334,923 145.593,924 30.347,925 4.227,926 200.109,928 223.651,929 184.777,930 53.683,933 223.651,934 42.683,935 11,937 38.253,938 78.157,939 68.367,941 223.651,942 125.175,943 113.285,946 223.651,947 28.857,948 87.553,949 18.011,950 104.04,951 223.651,952 125.175,953 113.285,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.098,962 5,964 1,965 3.982,966 230.128,968 24,969 120.382,974 17.712,975 8.336,976 4.536,978 125.175,979 16.485,980 13.374,984 4.325,986 60.694,987 462.111,988 39,999 48.232,1000 54.232,1001 0.283,1002 0.656,1003 0.822,1004 0.888,1005 0.888,1006 0.888,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.459,1014 6.46,1015 4.286,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.074,1032 10.267,1033 5.709,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.866,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 0.807,1050 14.403,1051 7.399,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.975,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 0.608,1068 18.712,1069 9.239,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 10.036,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 0.458,1086 23.115,1087 11.173,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 12.086,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 0.343,1104 27.57,1105 13.167,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.141,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 0.256,1122 32.055,1123 15.198,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.206,1133 8433,1134 13877,1135 20.86,1136 32.029,1137 44.415,1138 44.554,1139 44.237,1140 44.294,1141 44.261,1142 57.314,1143 4.635,1144 120.264,1145 41.784,1146 5.374,1147 5.185,1148 6.119,1149 5.084,1150 5.029,1151 7.043,1152 1.72,1153 16.234,1154 4.898,1155 6.783,1156 1.48,1157 1.485,1158 1.475,1159 1.476,1160 1.475,1161 1.91,1162 0.154,1163 4.009,1164 1.393,1165 4.01,1166 4.05,1167 3.968,1168 3.905,1169 6.471,1170 3.913,1171 3.874,1172 3.914,1173 3.81,1174 3.778,1175 5.005,1176 3.78,1177 3.8,1178 3.846,1179 3.726,1180 3.631,1181 4.888,1182 3.65,1183 3.621,1184 3.675,1185 3.53,1186 3.415,1187 4.617,1188 3.435,1189 3.245,1190 3.328,1191 3.123,1192 3.023,1193 4.57,1194 3.037,1195 3.111,1196 3.206,1197 2.879,1198 2.941,1199 4.111,1200 2.91,1201 2.96,1202 2.995,1203 2.866,1204 2.758,1205 3.959,1206 2.777,1207 2.903,1208 2.96,1209 2.779,1210 2.744,1211 3.754,1212 2.74,1213 0.146,1214 0.106,1215 0.211,1216 0.133,1217 0.101,1218 4.374,1219 0.135,1220 3.185,1221 0.029,1222 6.317,1223 0.324,1224 3.981,1225 0.097,1226 3.029,1227 4.043,1228 0.86,1229 9.721,1230 2.898,1231 1.942,1232 1.915,1233 2.03,1234 2.075,1235 1.213,1236 2.06,1237 1.853,1238 1.815,1239 1.976,1240 1.977,1241 1.103,1242 1.98,1243 1.744,1244 1.695,1245 1.922,1246 1.942,1247 1.082,1248 1.94,1249 1.546,1250 1.495,1251 1.684,1252 1.768,1253 0.825,1254 1.747,1255 1.195,1256 1.114,1257 1.513,1258 1.452,1259 0.721,1260 1.455,1261 1.153,1262 1.064,1263 1.446,1264 1.376,1265 0.546,1266 1.429,1267 0.886,1268 0.843,1269 1.181,1270 1.152,1271 0.246,1272 1.133,1273 0.883,1274 0.821,1275 1.143,1276 1.107,1277 0.218,1278 1.107,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.822,1295 3.561,1296 3.295,1297 5.448,1300 2.19,1305 30.751,1306 75.791,1307 175.923,1308 220.427,1309 238.078,1310 238.078,1311 238.078,1312 35.209,1313 7.313,1314 83.4,1315 83.4,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 188.661,1325 321.24,1326 452.093,1327 13821,1329 18.476,1330 0.684,1331 0.551,1332 18.476,1333 14.876,1334 13.276,1335 0.443,1336 0.297,1337 8.767,1338 12.694,1339 8.625,1340 7.101,1341 13.276,1342 8.918,1343 11.605,1344 0.29,1345 0.157,1346 11.605,1347 6.294,1348 9.546,1349 0.187,1350 0.086,1351 9.546,1352 4.39,1353 8.001,1354 0.121,1355 0.045,1356 8.001,1357 2.963,1358 6.763,1359 0.079,1360 0.023,1361 6.763,1362 2.007,1363 0.301,1364 83.579,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 410.799,1370 154.835,1371 396.079,1372 545.48,1373 374,1374 161,1375 400.92,1376 175.754,1377 405.291,1378 589.75,1379 382,1380 6.066}
{0 CHEMBL1644571,1 1.557,2 10.536,3 3.346,4 11.194,5 109.77,6 7.402,7 0.581,8 4.041,9 4.162,10 3.606,11 3.545,12 5.134,13 3.538,14 4.567,15 4.745,16 3.921,17 3.908,18 5.63,19 3.877,20 4.805,21 5.032,22 3.917,23 4.021,24 5.767,25 3.952,26 4.765,27 5.004,28 3.837,29 3.976,30 5.711,31 3.885,32 4.762,33 5.004,34 3.882,35 3.95,36 5.749,37 3.878,38 4.735,39 4.964,40 3.886,41 3.936,42 5.721,43 3.88,44 4.752,45 4.976,46 3.878,47 3.979,48 5.763,49 3.898,50 4.838,51 5.087,52 3.764,53 4.018,54 5.701,55 3.896,56 0.038,57 0.78,58 10.611,59 4.352,60 8.891,61 5.811,62 0.278,63 1.233,64 20.023,65 7.051,66 25.648,67 9.617,68 0.394,69 1.449,70 27.373,71 8.573,72 37.327,73 12.483,74 0.3,75 1.415,76 26.019,77 8.694,78 33.691,79 12.803,80 0.343,81 1.397,82 26.299,83 8.135,84 41.255,85 12.349,86 0.344,87 1.397,88 25.245,89 7.376,90 32.788,91 11,92 0.471,93 1.385,94 25.491,95 8.284,96 40.38,97 12.261,98 0.276,99 1.396,100 28.746,101 10.461,102 34.486,103 14.926,104 2,105 41,106 0.26,107 0.598,108 0.767,109 0.864,110 0.87,111 0.87,112 3.375,113 0.912,114 -3.93,115 -3.88,116 -3.68,119 41.2,121 1,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 2,175 7,178 2,180 3,183 7,186 1,187 3,192 2,195 5,198 1,199 5,202 2,204 4,207 2,211 1,212 6,215 1,217 4,220 1,223 2,224 5,229 2,232 2,236 1,237 5,240 3,241 1,242 1,245 2,249 1,250 7,258 3,263 5,268 1,271 5,275 1328,276 19.43,277 19.43,278 19.43,279 19.43,280 19.43,281 17.294,282 22.324,283 11.957,284 19.991,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 12.202,291 31.517,292 5.781,293 16.3,294 4.115,295 2.099,296 1.088,297 0.51,298 0.471,299 0.471,300 4.078,303 1,304 1,305 1,306 644,307 2.55,311 376.948,318 1.531,319 23.025,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 295,332 4.373,333 3.184,334 6.317,335 3.98,336 3.028,337 4.042,338 0.86,339 9.72,340 2.897,341 4.023,342 2.889,343 6.033,344 3.675,345 2.727,346 3.564,347 0.8,348 8.707,349 2.571,350 3.897,351 2.739,352 5.359,353 3.495,354 2.53,355 3.444,356 0.4,357 7.006,358 2.441,359 3.647,360 2.601,361 5.306,362 3.312,363 2.388,364 2.899,366 6.857,367 2.202,368 3.462,369 2.327,370 5,371 3.077,372 2.134,373 2.749,375 5.928,376 2.002,377 2.963,378 2.259,379 4.435,380 2.686,381 1.772,382 2.112,384 4.44,385 1.619,386 2.918,387 1.667,388 4.137,389 2.523,390 1.544,391 2.03,393 3.582,394 1.507,395 2.79,396 1.542,397 3.676,398 2.335,399 1.375,400 1.887,402 3.219,403 1.313,404 2.554,405 1.34,406 3.494,407 2.1,408 1.148,409 1.578,411 2.631,412 1.089,413 2.5,414 1.256,415 3.469,416 1.968,417 1,418 1.5,420 2.476,421 0.965,422 2.229,423 1.15,424 3.319,425 1.953,426 1,427 1.202,428 2.258,429 0.95,430 2.179,431 1.034,432 3.247,433 1.952,434 1,435 1.144,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.904,442 1,443 1,445 2.136,446 0.897,447 1.22,448 0.205,449 2.712,450 0.949,456 0.981,457 -0.057,458 2.653,459 0.56,460 -0.384,461 -0.493,463 -0.869,464 -0.356,465 13.167,466 0.47,467 0.482,468 0.017,469 38.5,470 1.375,471 19.5,472 0.696,473 19,474 0.679,475 20.732,476 0.74,477 30.033,478 0.589,479 27.597,480 0.986,481 7.687,482 0.275,483 6.089,484 0.217,485 0.025,487 0.258,493 0.96,494 1.438,495 0.8,496 1.134,497 0.924,498 0.972,499 1.118,500 1.084,501 0.977,502 1.013,503 0.74,504 0.981,505 1.183,506 1.041,507 1.043,508 0.907,509 1.054,510 0.939,511 0.785,512 1.078,513 1.009,514 1.062,515 0.885,516 1.059,517 0.833,518 1.147,519 0.915,520 0.966,521 0.77,522 0.941,523 1.168,524 1.091,525 1.077,526 0.958,527 0.953,528 0.974,529 0.749,530 1.05,531 1.054,532 1.049,533 0.693,534 1.078,535 0.81,536 0.955,537 0.988,538 1.087,539 0.84,540 1.069,541 4.5,542 0.062,543 2,544 1.063,545 1.018,546 0.903,547 0.347,548 0.222,549 0.303,550 0.153,551 10199,552 26148,553 2.159,554 45.1,556 18,558 1,559 2,560 2,564 1.715,565 2.1,566 3.383,567 0.247,568 1,569 1,573 79.403,574 1.557,575 3.573,576 4.584,577 5.163,578 5.202,579 5.202,580 2.717,581 4.379,582 4.776,583 3.551,584 1342.28,585 8.333,586 18132.4,588 1,590 1,591 289.294,592 1.018,593 4.772,594 0.145,595 0.003,596 0.049,597 0.027,598 0.028,599 0.024,600 0.009,601 0.006,602 0.009,603 0.005,604 0.305,605 0.33,606 1,607 0.343,608 140.672,609 -0.073,610 -0.245,611 0.053,612 -0.075,613 -0.078,614 -0.006,615 -0.034,616 0.042,617 -0.046,618 -0.03,619 0.048,620 -0.045,621 -0.145,622 -0.003,623 -0.067,624 0.049,625 -0.118,626 0.011,627 0.001,628 -0.037,629 -0.056,630 -0.097,631 -0.064,632 -0.088,633 0.043,634 -0.112,635 0.058,636 -0.019,637 0.071,638 0.017,639 -0.146,640 0.003,641 -0.103,642 -0.042,643 -0.089,644 -0.056,645 0.169,646 0.014,647 -0.099,648 -0.09,649 0.129,650 -0.126,651 -0.006,652 -0.015,653 -0.023,654 -0.073,655 -0.006,656 -0.051,657 1.45,658 3.836,659 0.857,660 28.245,661 1.002,662 1.13,663 2.697,664 7.276,665 0.663,666 3.466,667 3.738,668 3.97,669 4.22,670 4.466,671 4.466,672 4.635,673 4.736,674 4.868,675 4.913,676 6.556,677 0.633,678 377.49,679 3.466,680 4.977,681 5.802,682 6.653,683 7.495,684 8.353,685 9.205,686 10.068,687 10.925,688 11.791,689 9.8,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 51,733 18,734 1,735 31,737 54,738 21,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 6,778 1,781 23,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 28,853 1,854 6,855 1,856 1,859 1,870 3.9,872 1,874 1,877 13.333,878 8.917,879 6.222,880 3.047,881 2.856,882 1.388,883 0.974,884 6,885 10.216,886 3.714,887 4.256,888 4.785,889 5.336,890 5.88,891 6.004,892 6.403,893 6.72,894 7.081,895 7.32,896 0.857,897 40,898 10.328,900 4.312,901 7.643,902 19.925,904 16.109,905 2.143,906 60,908 1,909 1,910 247.193,911 115.82,912 71.492,914 53.683,917 115.82,918 300.876,919 71.492,921 18.036,922 75.81,923 133.822,924 20.871,925 4.227,926 235.422,928 247.193,929 187.312,930 53.683,933 247.193,934 42.683,935 11,937 34.496,938 84.448,939 68.367,941 247.193,942 125.175,943 115.82,946 247.193,947 30.962,948 87.982,949 18.011,950 104.04,951 247.193,952 125.175,953 115.82,955 0.565,956 0.319,957 0.176,958 0.1,959 19,960 7,961 0.111,962 6,964 1,965 4.104,966 238.498,968 24,969 130.606,974 18.665,975 9.001,976 4.986,978 125.175,979 16.77,980 13.706,984 4.286,986 60.694,987 488.188,988 40,999 51.116,1000 57.647,1001 0.274,1002 0.63,1003 0.808,1004 0.91,1005 0.917,1006 0.917,1007 4.916,1008 1.375,1009 5.74,1010 3.582,1011 4.419,1012 4.942,1013 1.324,1014 6.472,1015 4.311,1016 6.075,1017 1.148,1018 7.238,1019 3.219,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.589,1025 7.34,1026 1,1027 8.834,1028 2.631,1029 5.927,1030 7.037,1031 0.958,1032 10.269,1033 5.718,1034 8.639,1035 1,1036 10.492,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.842,1043 9.971,1044 1,1045 12.19,1046 2.258,1047 7.697,1048 9.402,1049 0.736,1050 14.402,1051 7.393,1052 11.325,1053 1,1054 13.917,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.335,1060 7.947,1061 12.698,1063 15.664,1064 2.136,1065 9.617,1066 11.91,1067 0.57,1068 18.71,1069 9.223,1070 3.028,1071 -0.384,1072 17.426,1074 10.452,1075 12.922,1076 0.125,1077 20.815,1078 10.007,1079 2.727,1080 9.72,1081 19.199,1082 -0.869,1083 11.633,1084 14.505,1085 0.439,1086 23.113,1087 11.151,1088 2.53,1089 8.707,1090 20.982,1091 4.042,1092 12.588,1093 15.661,1094 0.082,1095 25.298,1096 12.057,1097 2.388,1098 7.006,1099 22.773,1100 3.564,1101 13.711,1102 17.157,1103 0.334,1104 27.568,1105 13.142,1106 2.134,1107 6.857,1108 24.569,1109 3.444,1110 14.729,1111 18.402,1112 0.054,1113 29.792,1114 14.114,1115 1.772,1116 5.928,1117 26.371,1118 2.899,1119 15.828,1120 19.848,1121 0.252,1122 32.053,1123 15.173,1124 1.544,1125 4.44,1126 28.177,1127 2.749,1128 16.881,1129 21.149,1130 0.035,1131 34.296,1132 16.181,1133 9593,1134 15486,1135 21.553,1136 33.79,1137 45.521,1138 45.631,1139 45.452,1140 45.351,1141 45.291,1142 58.303,1143 4.12,1144 122.19,1145 42.8,1146 5.373,1147 5.184,1148 6.119,1149 5.083,1150 5.028,1151 7.042,1152 1.72,1153 16.234,1154 4.897,1155 6.983,1156 1.468,1157 1.472,1158 1.466,1159 1.463,1160 1.461,1161 1.881,1162 0.133,1163 3.942,1164 1.381,1165 4.008,1166 4.049,1167 3.966,1168 3.904,1169 6.471,1170 3.912,1171 3.881,1172 3.924,1173 3.813,1174 3.779,1175 5.001,1176 3.782,1177 3.804,1178 3.848,1179 3.731,1180 3.636,1181 4.881,1182 3.655,1183 3.638,1184 3.696,1185 3.54,1186 3.428,1187 4.617,1188 3.446,1189 3.412,1190 3.481,1191 3.268,1192 3.26,1193 4.571,1194 3.251,1195 3.111,1196 3.206,1197 2.889,1198 2.941,1199 4.119,1200 2.91,1201 2.974,1202 3.033,1203 2.866,1204 2.805,1205 3.96,1206 2.816,1207 2.944,1208 2.994,1209 2.837,1210 2.746,1211 3.838,1212 2.75,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.373,1219 0.13,1220 3.184,1221 0.028,1222 6.317,1223 0.314,1224 3.98,1225 0.093,1226 3.028,1227 4.042,1228 0.86,1229 9.72,1230 2.897,1231 1.941,1232 1.915,1233 2.03,1234 2.074,1235 1.214,1236 2.059,1237 1.857,1238 1.817,1239 1.991,1240 1.987,1241 1.166,1242 1.992,1243 1.748,1244 1.698,1245 1.922,1246 1.942,1247 1.092,1248 1.94,1249 1.568,1250 1.512,1251 1.746,1252 1.795,1253 0.837,1254 1.782,1255 1.407,1256 1.344,1257 1.621,1258 1.597,1259 0.825,1260 1.613,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.703,1266 1.429,1267 0.931,1268 0.872,1269 1.18,1270 1.163,1271 0.294,1272 1.17,1273 0.883,1274 0.839,1275 1.142,1276 1.151,1277 0.246,1278 1.133,1279 4.143,1281 5.425,1283 6.907,1285 8.475,1287 10.088,1294 9.836,1295 4.437,1296 3.315,1297 5.455,1300 2.196,1305 32.278,1306 79.403,1307 182.235,1308 233.784,1309 263.294,1310 265.294,1311 265.294,1312 38.272,1313 7.36,1314 83.4,1315 83.4,1316 24,1317 12.339,1318 4.248,1319 3.322,1320 42.185,1321 108,1322 118,1323 0.186,1324 198.253,1325 338.54,1326 475.498,1327 15071,1329 19.184,1330 0.685,1331 0.557,1332 19.184,1333 15.583,1334 13.776,1335 0.444,1336 0.304,1337 9.278,1338 13.197,1339 9.133,1340 7.516,1341 13.776,1342 9.428,1343 11.958,1344 0.292,1345 0.161,1346 11.958,1347 6.583,1348 9.787,1349 0.188,1350 0.088,1351 9.787,1352 4.58,1353 8.225,1354 0.123,1355 0.047,1356 8.225,1357 3.129,1358 6.831,1359 0.079,1360 0.025,1361 6.831,1362 2.108,1363 0.289,1364 86.533,1365 0.215,1366 26.822,1367 0.514,1368 144,1369 414.799,1370 159.168,1371 399.908,1372 552.04,1373 378,1374 165,1375 407.272,1376 179.921,1377 410.456,1378 597.57,1379 388,1380 6.745}
{0 CHEMBL1644572,1 1.557,2 10.536,3 3.204,4 10.263,5 110.347,6 7.402,7 0.581,8 4.041,9 4.162,10 3.606,11 3.545,12 5.135,13 3.538,14 4.567,15 4.745,16 3.918,17 3.913,18 5.625,19 3.88,20 4.801,21 5.024,22 3.918,23 4.033,24 5.76,25 3.96,26 4.787,27 5.032,28 3.837,29 3.982,30 5.717,31 3.888,32 4.765,33 5.01,34 3.883,35 3.947,36 5.758,37 3.876,38 4.726,39 4.951,40 3.881,41 3.935,42 5.703,43 3.882,44 4.756,45 4.98,46 3.881,47 3.983,48 5.781,49 3.901,50 4.834,51 5.08,52 3.759,53 4.027,54 5.684,55 3.902,56 0.038,57 0.78,58 10.611,59 4.352,60 9.224,61 5.811,62 0.287,63 1.232,64 20.048,65 7.068,66 25.606,67 9.617,68 0.362,69 1.446,70 27.028,71 8.842,72 35.34,73 12.751,74 0.287,75 1.432,76 26.841,77 8.842,78 34.127,79 13.154,80 0.386,81 1.403,82 26.504,83 8.056,84 43.184,85 12.229,86 0.292,87 1.385,88 24.842,89 7.218,90 29.793,91 10.835,92 0.535,93 1.395,94 25.644,95 8.31,96 44.35,97 12.199,98 0.232,99 1.386,100 28.477,101 10.641,102 32.107,103 15.135,104 2,105 41,106 0.26,107 0.606,108 0.781,109 0.87,110 0.87,111 0.87,112 3.375,113 0.911,114 -3.93,115 -3.88,116 -3.68,119 41.2,121 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 2,175 6,178 2,180 3,183 7,186 1,187 4,192 3,195 5,198 1,199 5,202 1,204 4,207 1,211 1,212 8,215 2,217 4,220 1,224 5,229 1,232 2,236 3,237 6,240 3,241 1,242 1,245 4,250 3,258 5,262 1,263 5,268 1,271 6,275 1328,276 19.43,277 19.43,278 19.43,279 19.43,280 19.43,281 17.294,282 22.324,283 11.957,284 19.989,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 12.202,291 31.517,292 5.781,293 16.289,294 4.115,295 2.053,296 1.003,297 0.471,298 0.471,299 0.471,300 4.078,304 1,305 1,306 644,307 2.55,311 376.948,318 1.531,319 22.777,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 295,332 4.373,333 3.184,334 6.317,335 3.98,336 3.028,337 4.042,338 0.86,339 9.72,340 2.897,341 4.023,342 2.889,343 6.033,344 3.675,345 2.727,346 3.564,347 0.8,348 8.707,349 2.571,350 3.897,351 2.739,352 5.359,353 3.515,354 2.53,355 3.444,356 0.4,357 7.006,358 2.495,359 3.647,360 2.601,361 5.306,362 3.313,363 2.388,364 2.899,366 6.857,367 2.203,368 3.462,369 2.327,370 5,371 3.077,372 2.134,373 2.749,375 5.928,376 2.002,377 2.963,378 2.259,379 4.435,380 2.685,381 1.772,382 2.112,384 4.44,385 1.616,386 2.918,387 1.667,388 4.137,389 2.5,390 1.544,391 2.03,393 3.582,394 1.472,395 2.79,396 1.542,397 3.676,398 2.334,399 1.375,400 1.887,402 3.219,403 1.312,404 2.554,405 1.34,406 3.494,407 2.1,408 1.148,409 1.578,411 2.631,412 1.089,413 2.5,414 1.256,415 3.469,416 1.967,417 1,418 1.5,420 2.476,421 0.964,422 2.229,423 1.15,424 3.319,425 1.952,426 1,427 1.202,428 2.258,429 0.949,430 2.179,431 1.034,432 3.247,433 1.952,434 1,435 1.144,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.904,442 1,443 1,445 2.136,446 0.897,447 1.22,448 0.205,449 2.712,450 0.949,456 0.981,457 -0.057,458 2.653,459 0.56,460 -0.384,461 -0.493,463 -0.869,464 -0.356,465 13.167,466 0.47,467 0.482,468 0.017,469 38.5,470 1.375,471 19.5,472 0.696,473 19,474 0.679,475 20.754,476 0.741,477 30.033,478 0.589,479 27.575,480 0.985,481 7.682,482 0.274,483 6.094,484 0.218,485 0.025,487 0.258,493 0.96,494 1.438,495 0.8,496 1.134,497 0.916,498 0.972,499 1.13,500 1.033,501 0.984,502 0.984,503 0.748,504 0.965,505 1.118,506 1.091,507 1.04,508 0.973,509 1.011,510 0.989,511 0.791,512 1.107,513 0.984,514 1.049,515 0.873,516 1.036,517 0.852,518 1.064,519 0.925,520 0.919,521 0.789,522 0.916,523 1.221,524 1.192,525 1.089,526 0.989,527 0.99,528 0.99,529 0.743,530 0.922,531 1.079,532 1.007,533 0.706,534 1.068,535 0.78,536 1.004,537 0.977,538 1.123,539 0.803,540 1.091,541 4.5,542 0.062,543 2,544 1.063,545 1.018,546 0.903,547 0.347,548 0.222,549 0.303,550 0.153,551 10199,552 26304,553 2.159,554 45.1,556 17,558 2,559 2,561 2,564 1.715,565 2.1,566 3.383,567 0.247,568 1,569 1,573 79.403,574 1.557,575 3.619,576 4.669,577 5.202,578 5.202,579 5.202,580 2.717,581 4.379,582 4.776,583 3.551,584 1342.28,585 8.333,586 18132.4,588 1,590 1,591 289.294,592 1.018,593 4.772,594 0.145,595 0.003,596 0.049,597 0.027,598 0.028,599 0.024,600 0.009,601 0.006,602 0.009,603 0.005,604 0.305,605 0.33,606 1,607 0.343,608 140.672,609 -0.073,610 -0.245,611 0.053,612 -0.075,613 -0.07,614 -0.006,615 -0.046,616 0.095,617 -0.053,619 0.039,620 -0.029,621 -0.119,622 -0.059,623 -0.075,625 -0.103,626 -0.027,627 -0.014,628 -0.081,629 -0.026,630 -0.084,631 -0.06,632 -0.061,633 0.05,634 -0.021,635 0.053,636 0.017,637 0.067,638 0.035,639 -0.208,640 -0.098,641 -0.119,642 -0.068,643 -0.127,644 -0.07,645 0.199,646 0.154,647 -0.122,648 -0.057,649 0.136,650 -0.125,651 -0.011,652 -0.073,653 -0.02,654 -0.094,655 0.003,656 -0.061,657 1.449,658 3.837,659 0.857,660 28.245,661 1.002,662 1.13,663 2.697,664 7.276,665 0.663,666 3.466,667 3.738,668 3.97,669 4.22,670 4.466,671 4.466,672 4.635,673 4.736,674 4.868,675 4.913,676 6.556,677 0.633,678 377.49,679 3.466,680 4.977,681 5.802,682 6.653,683 7.495,684 8.353,685 9.205,686 10.068,687 10.925,688 11.791,689 9.8,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 51,733 18,734 1,735 31,737 54,738 21,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 6,778 1,781 23,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 28,853 1,854 6,855 1,856 1,859 1,870 3.9,872 1,874 1,877 13.333,878 8.917,879 6.222,880 3.036,881 2.856,882 1.388,883 0.974,884 6,885 10.216,886 3.714,887 4.256,888 4.785,889 5.336,890 5.88,891 6.004,892 6.403,893 6.72,894 7.081,895 7.32,896 0.857,897 40,898 10.325,900 4.309,901 7.643,902 19.925,904 16.117,905 2.143,906 60,909 1,910 247.193,911 115.82,912 71.492,914 53.683,917 115.82,918 300.876,919 71.492,921 18.036,922 66.334,923 145.593,924 30.347,925 4.227,926 223.651,928 247.193,929 187.312,930 53.683,933 223.651,934 66.226,935 11,937 40.787,938 78.157,939 68.367,941 247.193,942 125.175,943 115.82,946 247.193,947 31.391,948 87.553,949 18.011,950 104.04,951 247.193,952 125.175,953 115.82,955 0.565,956 0.319,957 0.176,958 0.1,959 19,960 7,961 0.111,962 6,964 1,965 4.104,966 238.498,968 24,969 128.606,974 18.665,975 9.001,976 4.986,978 125.175,979 16.708,980 13.517,984 4.442,986 60.694,987 488.188,988 40,999 51.116,1000 57.647,1001 0.274,1002 0.638,1003 0.823,1004 0.917,1005 0.917,1006 0.917,1007 4.916,1008 1.375,1009 5.74,1010 3.582,1011 4.419,1012 4.942,1013 1.324,1014 6.472,1015 4.313,1016 6.075,1017 1.148,1018 7.238,1019 3.219,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.34,1026 1,1027 8.834,1028 2.631,1029 5.927,1030 7.037,1031 0.958,1032 10.269,1033 5.728,1034 8.639,1035 1,1036 10.492,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.866,1043 9.971,1044 1,1045 12.19,1046 2.258,1047 7.697,1048 9.402,1049 0.736,1050 14.402,1051 7.411,1052 11.325,1053 1,1054 13.917,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.335,1060 7.975,1061 12.698,1063 15.664,1064 2.136,1065 9.617,1066 11.91,1067 0.57,1068 18.71,1069 9.247,1070 3.028,1071 -0.384,1072 17.426,1074 10.452,1075 12.922,1076 0.125,1077 20.815,1078 10.036,1079 2.727,1080 9.72,1081 19.199,1082 -0.869,1083 11.633,1084 14.505,1085 0.439,1086 23.113,1087 11.177,1088 2.53,1089 8.707,1090 20.982,1091 4.042,1092 12.588,1093 15.661,1094 0.082,1095 25.298,1096 12.086,1097 2.388,1098 7.006,1099 22.773,1100 3.564,1101 13.711,1102 17.157,1103 0.334,1104 27.568,1105 13.168,1106 2.134,1107 6.857,1108 24.569,1109 3.444,1110 14.729,1111 18.402,1112 0.054,1113 29.792,1114 14.14,1115 1.772,1116 5.928,1117 26.371,1118 2.899,1119 15.828,1120 19.848,1121 0.252,1122 32.053,1123 15.197,1124 1.544,1125 4.44,1126 28.177,1127 2.749,1128 16.881,1129 21.149,1130 0.035,1131 34.296,1132 16.204,1133 9593,1134 15528,1135 21.553,1136 33.79,1137 45.521,1138 45.631,1139 45.452,1140 45.341,1141 45.291,1142 58.303,1143 4.12,1144 122.19,1145 42.828,1146 5.373,1147 5.184,1148 6.119,1149 5.083,1150 5.028,1151 7.042,1152 1.72,1153 16.234,1154 4.897,1155 6.983,1156 1.468,1157 1.472,1158 1.466,1159 1.463,1160 1.461,1161 1.881,1162 0.133,1163 3.942,1164 1.382,1165 4.009,1166 4.05,1167 3.966,1168 3.905,1169 6.471,1170 3.913,1171 3.885,1172 3.926,1173 3.816,1174 3.79,1175 5.001,1176 3.791,1177 3.804,1178 3.848,1179 3.731,1180 3.635,1181 4.89,1182 3.655,1183 3.636,1184 3.695,1185 3.54,1186 3.425,1187 4.617,1188 3.444,1189 3.402,1190 3.474,1191 3.26,1192 3.234,1193 4.571,1194 3.229,1195 3.111,1196 3.206,1197 2.888,1198 2.941,1199 4.133,1200 2.91,1201 2.972,1202 3.03,1203 2.866,1204 2.803,1205 3.962,1206 2.814,1207 2.943,1208 2.994,1209 2.834,1210 2.746,1211 3.834,1212 2.75,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.373,1219 0.13,1220 3.184,1221 0.028,1222 6.317,1223 0.314,1224 3.98,1225 0.093,1226 3.028,1227 4.042,1228 0.86,1229 9.72,1230 2.897,1231 1.941,1232 1.915,1233 2.031,1234 2.074,1235 1.216,1236 2.059,1237 1.866,1238 1.827,1239 1.999,1240 1.989,1241 1.191,1242 1.995,1243 1.748,1244 1.698,1245 1.922,1246 1.942,1247 1.093,1248 1.94,1249 1.564,1250 1.509,1251 1.732,1252 1.794,1253 0.825,1254 1.778,1255 1.389,1256 1.321,1257 1.61,1258 1.591,1259 0.806,1260 1.604,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.698,1266 1.429,1267 0.93,1268 0.87,1269 1.18,1270 1.16,1271 0.289,1272 1.168,1273 0.883,1274 0.839,1275 1.142,1276 1.151,1277 0.246,1278 1.133,1279 4.143,1281 5.425,1283 6.907,1285 8.475,1287 10.088,1294 9.837,1295 4.514,1296 3.327,1297 5.456,1300 2.198,1305 32.278,1306 79.403,1307 184.584,1308 238.132,1309 265.294,1310 265.294,1311 265.294,1312 38.199,1313 7.36,1314 83.4,1315 83.4,1316 24,1317 12.339,1318 4.248,1319 3.322,1320 42.185,1321 108,1322 118,1323 0.186,1324 198.253,1325 338.54,1326 475.498,1327 15071,1329 19.184,1330 0.685,1331 0.557,1332 19.184,1333 15.583,1334 13.776,1335 0.444,1336 0.304,1337 9.267,1338 13.194,1339 9.117,1340 7.508,1341 13.776,1342 9.418,1343 11.958,1344 0.292,1345 0.162,1346 11.958,1347 6.623,1348 9.787,1349 0.188,1350 0.089,1351 9.787,1352 4.609,1353 8.225,1354 0.123,1355 0.047,1356 8.225,1357 3.146,1358 6.831,1359 0.079,1360 0.025,1361 6.831,1362 2.108,1363 0.289,1364 86.579,1365 0.215,1366 26.822,1367 0.514,1368 144,1369 414.799,1370 158.835,1371 400.197,1372 551.2,1373 378,1374 165,1375 404.92,1376 179.754,1377 409.263,1378 595.03,1379 386,1380 6.602}
{0 CHEMBL1644573,1 1.557,2 10.536,3 3.204,4 10.263,5 110.347,6 7.402,7 0.581,8 4.041,9 4.162,10 3.606,11 3.545,12 5.135,13 3.538,14 4.567,15 4.745,16 3.918,17 3.913,18 5.627,19 3.88,20 4.801,21 5.024,22 3.915,23 4.037,24 5.757,25 3.963,26 4.784,27 5.024,28 3.838,29 3.994,30 5.71,31 3.896,32 4.787,33 5.038,34 3.883,35 3.953,36 5.764,37 3.879,38 4.729,39 4.956,40 3.882,41 3.932,42 5.713,43 3.88,44 4.746,45 4.967,46 3.876,47 3.983,48 5.765,49 3.902,50 4.837,51 5.084,52 3.763,53 4.031,54 5.705,55 3.906,56 0.038,57 0.78,58 10.611,59 4.352,60 9.224,61 5.811,62 0.287,63 1.232,64 20.048,65 7.068,66 25.939,67 9.617,68 0.371,69 1.445,70 27.053,71 8.859,72 35.297,73 12.75,74 0.256,75 1.429,76 26.496,77 9.111,78 32.14,79 13.422,80 0.373,81 1.42,82 27.326,83 8.204,84 43.62,85 12.58,86 0.335,87 1.391,88 25.047,89 7.139,90 31.721,91 10.715,92 0.482,93 1.383,94 25.242,95 8.152,96 41.355,97 12.034,98 0.296,99 1.397,100 28.631,101 10.668,102 36.078,103 15.073,104 2,105 41,106 0.26,107 0.606,108 0.768,109 0.844,110 0.844,111 0.844,112 3.375,113 0.911,114 -3.93,115 -3.88,116 -3.68,119 41.2,121 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 2,175 6,178 2,180 3,183 8,186 1,187 3,192 3,195 4,198 1,199 6,202 1,204 5,207 1,211 1,212 8,215 1,217 3,220 1,224 7,227 1,229 1,232 2,236 1,237 4,240 3,241 1,242 1,245 4,249 2,250 4,258 7,263 2,268 1,271 6,275 1328,276 19.43,277 19.43,278 19.43,279 19.43,280 19.43,281 17.294,282 22.324,283 11.957,284 19.998,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 12.202,291 31.517,292 5.781,293 16.295,294 4.115,295 2.053,296 1.082,297 0.627,298 0.627,299 0.627,300 4.078,304 1,305 1,306 644,307 2.55,311 376.948,318 1.531,319 22.524,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 295,332 4.373,333 3.184,334 6.317,335 3.98,336 3.028,337 4.042,338 0.86,339 9.72,340 2.897,341 4.023,342 2.889,343 6.033,344 3.675,345 2.727,346 3.564,347 0.8,348 8.707,349 2.571,350 3.897,351 2.739,352 5.359,353 3.518,354 2.53,355 3.444,356 0.4,357 7.006,358 2.504,359 3.647,360 2.601,361 5.306,362 3.313,363 2.388,364 2.899,366 6.857,367 2.203,368 3.462,369 2.327,370 5,371 3.077,372 2.134,373 2.749,375 5.928,376 2.002,377 2.963,378 2.259,379 4.435,380 2.685,381 1.772,382 2.112,384 4.44,385 1.614,386 2.918,387 1.667,388 4.137,389 2.481,390 1.544,391 2.03,393 3.582,394 1.443,395 2.79,396 1.542,397 3.676,398 2.333,399 1.375,400 1.887,402 3.219,403 1.311,404 2.554,405 1.34,406 3.494,407 2.098,408 1.148,409 1.578,411 2.631,412 1.086,413 2.5,414 1.256,415 3.469,416 1.984,417 1,418 1.5,420 2.476,421 0.983,422 2.229,423 1.15,424 3.319,425 1.957,426 1,427 1.202,428 2.258,429 0.954,430 2.179,431 1.034,432 3.247,433 1.952,434 1,435 1.144,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.904,442 1,443 1,445 2.136,446 0.897,447 1.22,448 0.205,449 2.712,450 0.949,456 0.981,457 -0.057,458 2.653,459 0.56,460 -0.384,461 -0.493,463 -0.869,464 -0.356,465 13.167,466 0.47,467 0.482,468 0.017,469 38.5,470 1.375,471 19.5,472 0.696,473 19,474 0.679,475 20.769,476 0.742,477 30.033,478 0.589,479 27.56,480 0.984,481 7.683,482 0.274,483 6.093,484 0.218,485 0.025,487 0.258,493 0.96,494 1.438,495 0.8,496 1.134,497 0.916,498 0.972,499 1.13,500 1.033,501 0.984,502 0.984,503 0.743,504 0.965,505 1.127,506 1.051,507 1.046,508 0.951,509 1.017,510 0.976,511 0.726,512 1.157,513 0.982,514 1.115,515 0.829,516 1.086,517 0.856,518 1.094,519 0.903,520 0.91,521 0.779,522 0.897,523 1.241,524 1.105,525 1.1,526 0.94,527 1.009,528 0.963,529 0.79,530 1.02,531 1.091,532 1.037,533 0.74,534 1.084,535 0.775,536 0.89,537 1,538 1.085,539 0.814,540 1.081,541 4.5,542 0.062,543 2,544 1.063,545 1.018,546 0.903,547 0.347,548 0.222,549 0.303,550 0.153,551 10199,552 26460,553 2.159,554 45.1,556 17,558 2,559 2,561 2,564 1.715,565 2.1,566 3.383,567 0.247,568 1,569 1,573 79.403,574 1.557,575 3.619,576 4.591,577 5.045,578 5.045,579 5.045,580 2.717,581 4.379,582 4.776,583 3.551,584 1342.28,585 8.333,586 18132.4,588 1,590 1,591 289.294,592 1.018,593 4.772,594 0.145,595 0.003,596 0.049,597 0.027,598 0.028,599 0.024,600 0.009,601 0.006,602 0.009,603 0.005,604 0.305,605 0.33,606 1,607 0.343,608 140.672,609 -0.073,610 -0.245,611 0.053,612 -0.075,613 -0.07,614 -0.006,615 -0.046,616 0.095,617 -0.053,619 0.044,620 -0.029,621 -0.128,622 -0.019,623 -0.081,624 0.023,625 -0.11,626 -0.015,627 0.012,628 -0.137,629 -0.034,630 -0.133,631 -0.045,632 -0.099,633 0.034,634 -0.066,635 0.08,636 0.026,637 0.067,638 0.059,639 -0.201,640 -0.002,641 -0.125,642 -0.029,643 -0.132,644 -0.051,645 0.142,646 0.058,647 -0.138,648 -0.082,649 0.1,650 -0.138,651 0.016,652 0.052,653 -0.04,654 -0.064,655 0.009,656 -0.059,657 1.448,658 3.838,659 0.857,660 28.245,661 1.002,662 1.13,663 2.697,664 7.276,665 0.663,666 3.466,667 3.738,668 3.97,669 4.22,670 4.466,671 4.466,672 4.635,673 4.736,674 4.868,675 4.913,676 6.556,677 0.633,678 377.49,679 3.466,680 4.977,681 5.802,682 6.653,683 7.495,684 8.353,685 9.205,686 10.068,687 10.925,688 11.791,689 9.8,694 1,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,728 1,731 51,733 18,734 1,735 31,737 54,738 21,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 6,778 1,781 23,782 7,783 2,784 7,790 5,794 1,795 2,805 1,806 1,812 4,839 1,840 4,848 28,853 1,854 6,855 1,856 1,859 1,870 3.9,872 1,874 1,877 13.333,878 8.917,879 6.222,880 3.036,881 2.856,882 1.388,883 0.974,884 6,885 10.216,886 3.714,887 4.256,888 4.785,889 5.336,890 5.88,891 6.004,892 6.403,893 6.72,894 7.081,895 7.32,896 0.857,897 40,898 10.324,900 4.307,901 7.643,902 19.925,904 16.117,905 2.143,906 60,909 1,910 247.193,911 115.82,912 71.492,914 53.683,917 115.82,918 300.876,919 71.492,921 18.036,922 66.334,923 145.593,924 30.347,925 4.227,926 223.651,928 247.193,929 187.312,930 53.683,933 223.651,934 66.226,935 11,937 40.787,938 78.157,939 68.367,941 247.193,942 125.175,943 115.82,946 247.193,947 31.391,948 87.553,949 18.011,950 104.04,951 247.193,952 125.175,953 115.82,955 0.565,956 0.319,957 0.176,958 0.1,959 19,960 7,961 0.111,962 6,964 1,965 4.104,966 238.498,968 24,969 124.606,974 18.665,975 9.001,976 4.986,978 125.175,979 16.691,980 13.423,984 4.503,986 60.694,987 488.188,988 40,999 51.116,1000 57.647,1001 0.274,1002 0.638,1003 0.809,1004 0.889,1005 0.889,1006 0.889,1007 4.916,1008 1.375,1009 5.74,1010 3.582,1011 4.419,1012 4.942,1013 1.324,1014 6.472,1015 4.313,1016 6.075,1017 1.148,1018 7.238,1019 3.219,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.606,1025 7.34,1026 1,1027 8.834,1028 2.631,1029 5.927,1030 7.037,1031 0.958,1032 10.269,1033 5.73,1034 8.639,1035 1,1036 10.492,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.869,1043 9.971,1044 1,1045 12.19,1046 2.258,1047 7.697,1048 9.402,1049 0.736,1050 14.402,1051 7.414,1052 11.325,1053 1,1054 13.917,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.335,1060 7.98,1061 12.698,1063 15.664,1064 2.136,1065 9.617,1066 11.91,1067 0.57,1068 18.71,1069 9.251,1070 3.028,1071 -0.384,1072 17.426,1074 10.452,1075 12.922,1076 0.125,1077 20.815,1078 10.041,1079 2.727,1080 9.72,1081 19.199,1082 -0.869,1083 11.633,1084 14.505,1085 0.439,1086 23.113,1087 11.182,1088 2.53,1089 8.707,1090 20.982,1091 4.042,1092 12.588,1093 15.661,1094 0.082,1095 25.298,1096 12.091,1097 2.388,1098 7.006,1099 22.773,1100 3.564,1101 13.711,1102 17.157,1103 0.334,1104 27.568,1105 13.173,1106 2.134,1107 6.857,1108 24.569,1109 3.444,1110 14.729,1111 18.402,1112 0.054,1113 29.792,1114 14.146,1115 1.772,1116 5.928,1117 26.371,1118 2.899,1119 15.828,1120 19.848,1121 0.252,1122 32.053,1123 15.202,1124 1.544,1125 4.44,1126 28.177,1127 2.749,1128 16.881,1129 21.149,1130 0.035,1131 34.296,1132 16.209,1133 9593,1134 15572,1135 21.553,1136 33.79,1137 45.521,1138 45.631,1139 45.452,1140 45.346,1141 45.291,1142 58.303,1143 4.12,1144 122.19,1145 42.824,1146 5.373,1147 5.184,1148 6.119,1149 5.083,1150 5.028,1151 7.042,1152 1.72,1153 16.234,1154 4.897,1155 6.983,1156 1.468,1157 1.472,1158 1.466,1159 1.463,1160 1.461,1161 1.881,1162 0.133,1163 3.942,1164 1.381,1165 4.009,1166 4.05,1167 3.966,1168 3.905,1169 6.471,1170 3.913,1171 3.886,1172 3.926,1173 3.817,1174 3.793,1175 5,1176 3.794,1177 3.804,1178 3.848,1179 3.731,1180 3.635,1181 4.893,1182 3.655,1183 3.636,1184 3.694,1185 3.54,1186 3.424,1187 4.617,1188 3.443,1189 3.395,1190 3.469,1191 3.255,1192 3.212,1193 4.571,1194 3.211,1195 3.111,1196 3.206,1197 2.886,1198 2.941,1199 4.143,1200 2.91,1201 2.965,1202 3.011,1203 2.866,1204 2.781,1205 3.965,1206 2.797,1207 2.923,1208 2.992,1209 2.819,1210 2.745,1211 3.827,1212 2.744,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.373,1219 0.13,1220 3.184,1221 0.028,1222 6.317,1223 0.314,1224 3.98,1225 0.093,1226 3.028,1227 4.042,1228 0.86,1229 9.72,1230 2.897,1231 1.941,1232 1.915,1233 2.032,1234 2.074,1235 1.217,1236 2.059,1237 1.868,1238 1.83,1239 2.001,1240 1.99,1241 1.197,1242 1.996,1243 1.747,1244 1.698,1245 1.922,1246 1.942,1247 1.093,1248 1.94,1249 1.563,1250 1.507,1251 1.725,1252 1.793,1253 0.825,1254 1.777,1255 1.374,1256 1.302,1257 1.6,1258 1.587,1259 0.793,1260 1.597,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.693,1266 1.429,1267 0.896,1268 0.85,1269 1.181,1270 1.152,1271 0.247,1272 1.141,1273 0.886,1274 0.833,1275 1.145,1276 1.143,1277 0.218,1278 1.132,1279 4.143,1281 5.425,1283 6.907,1285 8.475,1287 10.088,1294 9.838,1295 4.553,1296 3.334,1297 5.457,1300 2.2,1305 32.278,1306 79.403,1307 184.584,1308 234.132,1309 257.294,1310 257.294,1311 257.294,1312 38.005,1313 7.36,1314 83.4,1315 83.4,1316 24,1317 12.339,1318 4.248,1319 3.322,1320 42.185,1321 108,1322 118,1323 0.186,1324 198.253,1325 338.54,1326 475.498,1327 15071,1329 19.184,1330 0.685,1331 0.557,1332 19.184,1333 15.583,1334 13.776,1335 0.444,1336 0.304,1337 9.267,1338 13.19,1339 9.118,1340 7.506,1341 13.776,1342 9.418,1343 11.958,1344 0.292,1345 0.161,1346 11.958,1347 6.617,1348 9.787,1349 0.188,1350 0.089,1351 9.787,1352 4.636,1353 8.225,1354 0.123,1355 0.047,1356 8.225,1357 3.149,1358 6.831,1359 0.079,1360 0.024,1361 6.831,1362 2.106,1363 0.289,1364 86.579,1365 0.215,1366 26.822,1367 0.514,1368 144,1369 414.799,1370 158.835,1371 400.066,1372 551.16,1373 378,1374 165,1375 404.92,1376 179.588,1377 408.969,1378 594.63,1379 386,1380 6.638}
{0 CHEMBL1644574,1 1.605,2 9.667,3 3.486,4 12.151,5 101.49,6 7.754,7 0.6,8 3.974,9 4.079,10 3.58,11 3.475,12 5.106,13 3.484,14 4.495,15 4.652,16 3.902,17 3.824,18 5.615,19 3.817,20 4.698,21 4.897,22 3.905,23 3.922,24 5.737,25 3.881,26 4.668,27 4.891,28 3.819,29 3.845,30 5.686,31 3.792,32 4.618,33 4.832,34 3.876,35 3.818,36 5.709,37 3.791,38 4.577,39 4.743,40 3.868,41 3.845,42 5.646,43 3.831,44 4.648,45 4.822,46 3.878,47 3.924,48 5.747,49 3.862,50 4.761,51 5.002,52 3.751,53 3.95,54 5.649,55 3.845,56 0.064,57 0.697,58 9.053,59 4.11,60 8.714,61 5.051,62 0.37,63 1.103,64 17.795,65 6.488,66 26.551,67 8.122,68 0.467,69 1.284,70 23.545,71 7.821,72 37.345,73 10.479,74 0.41,75 1.243,76 23.312,77 7.503,78 36.398,79 10.557,80 0.472,81 1.177,82 22.296,83 7.143,84 43.153,85 9.846,86 0.374,87 1.149,88 19.93,89 6.653,90 28.066,91 8.291,92 0.575,93 1.218,94 21.458,95 8.252,96 42.501,97 10.777,98 0.32,99 1.31,100 26.276,101 9.648,102 33.04,103 13.523,104 2,105 40,106 0.273,107 0.602,108 0.771,109 0.857,110 0.865,111 0.865,112 3.34,113 0.882,114 -3.7,115 -3.67,116 -3.49,119 42.6,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 4,175 6,180 2,183 6,186 2,187 4,192 2,195 4,198 2,199 6,204 1,207 1,211 3,212 10,215 1,217 1,220 2,224 4,232 1,236 3,237 9,240 3,245 2,250 6,258 3,263 4,271 4,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 20.156,283 11.471,284 19.335,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 27.042,292 5.554,293 15.894,294 3.95,295 2.011,296 1.021,297 0.511,298 0.468,299 0.468,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 25.378,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 261,332 4.374,333 3.212,334 6.317,335 3.973,336 3.029,337 4.043,338 1.151,339 9.721,340 2.884,341 4.025,342 2.944,343 6.033,344 3.671,345 2.727,346 3.567,347 0.86,348 8.707,349 2.549,350 3.898,351 2.857,352 5.407,353 3.494,354 2.548,355 3.442,356 0.8,357 7.14,358 2.415,359 3.641,360 2.594,361 5.254,362 3.296,363 2.357,364 2.899,366 6.713,367 2.206,368 3.454,369 2.359,370 4.996,371 3.047,372 2.117,373 2.743,375 5.913,376 1.956,377 2.962,378 2.265,379 4.432,380 2.657,381 1.764,382 2.102,384 4.428,385 1.57,386 2.893,387 1.682,388 4.137,389 2.469,390 1.493,391 2.013,393 3.577,394 1.452,395 2.789,396 1.524,397 3.635,398 2.326,399 1.365,400 1.887,402 3.134,403 1.306,404 2.551,405 1.339,406 3.492,407 2.071,408 1.126,409 1.575,411 2.621,412 1.062,413 2.5,414 1.256,415 3.469,416 1.959,417 1,418 1.5,420 2.476,421 0.956,422 2.2,423 1.063,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.914,434 1,435 1,436 2.136,437 0.906,438 1.822,439 0.963,440 3.12,441 1.487,442 0.604,443 0.714,445 1.432,446 0.528,447 0.99,448 -0.057,449 2.662,450 0.564,451 -0.378,452 -0.487,454 -0.867,455 -0.35,456 0.929,457 -0.092,458 2.545,459 0.534,460 -0.401,461 -0.501,463 -1.033,464 -0.371,465 12.6,466 0.467,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 18.887,476 0.7,477 28.8,478 0.613,479 27.388,480 1.014,481 7.699,482 0.285,483 5.577,484 0.207,485 0.026,487 0.27,493 0.925,494 1.426,495 0.744,496 1.155,497 0.921,498 0.958,499 1.181,500 1.032,501 0.958,502 0.959,503 0.799,504 0.926,505 1.141,506 1.083,507 1.041,508 0.968,509 1.054,510 0.977,511 0.925,512 1.096,513 0.978,514 1.004,515 0.941,516 0.985,517 0.959,518 0.93,519 0.839,520 0.836,521 0.799,522 0.808,523 1.542,524 1.102,525 1.162,526 0.99,527 1.192,528 0.99,529 0.767,530 1.073,531 1.066,532 1.155,533 0.678,534 1.175,535 0.722,536 1.036,537 0.938,538 1.069,539 0.697,540 1.048,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 24363,553 2.165,554 42.6,556 18,558 1,559 1,564 1.707,565 2.104,566 3.272,567 -0.309,569 1,573 75.434,574 1.605,575 3.544,576 4.533,577 5.044,578 5.087,579 5.087,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 261.066,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.07,610 -0.278,611 0.06,612 -0.116,613 -0.095,614 -0.025,615 -0.059,616 0.067,617 -0.044,618 0.007,619 0.017,620 -0.02,621 -0.096,622 -0.045,623 -0.08,624 -0.013,625 -0.1,626 -0.039,627 -0.011,628 -0.062,629 -0.007,630 -0.063,631 -0.055,632 -0.033,633 0.074,634 0.103,635 0.145,636 0.105,637 0.131,638 0.135,639 -0.313,640 -0.026,641 -0.219,642 -0.041,643 -0.237,644 -0.093,645 0.233,646 -0.047,647 -0.143,648 -0.156,649 0.167,650 -0.218,651 -0.011,652 -0.092,653 0.027,654 -0.061,655 0.026,656 -0.016,657 1.477,658 3.804,659 0.889,660 25.317,661 1.01,662 1.126,663 2.474,664 6.123,665 0.67,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.648,678 364.44,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 8.5,695 1,699 3,704 9,705 3,709 6,711 18,726 1,728 1,729 1,731 47,733 18,734 1,735 30,737 50,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 20,782 7,783 1,784 7,790 4,794 1,795 3,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,856 2,859 1,870 6.4,872 1,874 1,875 1,877 12.833,878 8.333,879 5.972,880 2.735,881 2.885,882 1.394,883 0.968,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.953,900 4.176,901 7.704,902 19.01,904 15.286,905 2.204,906 59.5,909 1,910 223.651,911 118.259,912 53.481,914 64.683,917 118.259,918 288.334,919 53.481,921 17.989,922 75.81,923 115.811,924 31.871,925 6.714,926 211.88,928 223.651,929 171.74,930 64.683,933 223.651,934 53.683,935 11,937 34.449,938 86.934,939 50.357,941 223.651,942 118.164,943 118.259,946 223.651,947 33.401,948 87.982,950 115.04,951 223.651,952 118.164,953 118.259,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.1,962 5,964 1,965 3.982,966 230.128,968 24,969 124.382,974 17.712,975 8.336,976 4.536,978 118.164,979 16.189,980 13.513,984 3.566,986 42.683,987 460.074,988 39,999 47.458,1000 52.943,1001 0.289,1002 0.638,1003 0.816,1004 0.908,1005 0.916,1006 0.916,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.806,1014 6.46,1015 4.271,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.574,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.802,1032 10.267,1033 5.673,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.811,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 1.906,1050 14.403,1051 7.344,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.903,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 2.069,1068 18.712,1069 9.168,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 9.952,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 2.272,1086 23.115,1087 11.089,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 11.993,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 2.501,1104 27.57,1105 13.072,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.041,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 2.746,1122 32.055,1123 15.095,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.099,1133 8433,1134 14035,1135 20.86,1136 31.478,1137 44.415,1138 44.762,1139 44.237,1140 44.279,1141 44.261,1142 57.314,1143 5.622,1144 120.264,1145 41.471,1146 5.374,1147 5.212,1148 6.119,1149 5.077,1150 5.029,1151 7.043,1152 2.302,1153 16.234,1154 4.884,1155 6.783,1156 1.48,1157 1.492,1158 1.475,1159 1.476,1160 1.475,1161 1.91,1162 0.187,1163 4.009,1164 1.382,1165 4.003,1166 4.037,1167 3.963,1168 3.9,1169 6.471,1170 3.908,1171 3.867,1172 3.906,1173 3.804,1174 3.761,1175 5.048,1176 3.766,1177 3.797,1178 3.844,1179 3.723,1180 3.614,1181 4.878,1182 3.637,1183 3.624,1184 3.663,1185 3.534,1186 3.439,1187 4.613,1188 3.454,1189 3.208,1190 3.255,1191 3.092,1192 3.021,1193 4.593,1194 3.026,1195 3.111,1196 3.206,1197 2.887,1198 2.941,1199 4.343,1200 2.91,1201 2.968,1202 3.008,1203 2.866,1204 2.767,1205 3.871,1206 2.787,1207 2.917,1208 2.966,1209 2.79,1210 2.745,1211 3.834,1212 2.743,1213 0.146,1214 0.107,1215 0.211,1216 0.132,1217 0.101,1218 4.374,1219 0.135,1220 3.212,1221 0.038,1222 6.317,1223 0.324,1224 3.973,1225 0.096,1226 3.029,1227 4.043,1228 1.151,1229 9.721,1230 2.884,1231 1.936,1232 1.912,1233 2.023,1234 2.066,1235 1.201,1236 2.049,1237 1.837,1238 1.8,1239 1.961,1240 1.97,1241 1.099,1242 1.969,1243 1.733,1244 1.681,1245 1.917,1246 1.942,1247 1.02,1248 1.939,1249 1.557,1250 1.517,1251 1.683,1252 1.758,1253 0.825,1254 1.738,1255 1.168,1256 1.117,1257 1.513,1258 1.399,1259 0.716,1260 1.429,1261 1.153,1262 1.064,1263 1.428,1264 1.376,1265 0.585,1266 1.406,1267 0.884,1268 0.844,1269 1.142,1270 1.157,1271 0.266,1272 1.137,1273 0.88,1274 0.828,1275 1.106,1276 1.125,1277 0.168,1278 1.126,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.804,1295 3.055,1297 11.299,1300 2.073,1305 30.444,1306 75.434,1307 166.562,1308 213.066,1309 237.066,1310 239.066,1311 239.066,1312 36.405,1313 7.313,1314 80.6,1315 80.6,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 185.863,1325 319.03,1326 445.266,1327 13821,1329 18.476,1330 0.684,1331 0.548,1332 18.476,1333 14.784,1334 13.276,1335 0.443,1336 0.294,1337 8.654,1338 12.644,1339 8.52,1340 7.004,1341 13.276,1342 8.817,1343 11.605,1344 0.29,1345 0.154,1346 11.605,1347 6.151,1348 9.546,1349 0.187,1350 0.083,1351 9.546,1352 4.221,1353 8.001,1354 0.121,1355 0.043,1356 8.001,1357 2.836,1358 6.763,1359 0.079,1360 0.022,1361 6.763,1362 1.917,1363 0.301,1364 83.987,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 440.201,1370 157.045,1371 416.921,1372 572.08,1373 394,1374 161,1375 419.037,1376 178.132,1377 420.68,1378 614.73,1379 396,1380 6.959}
{0 CHEMBL1644575,1 1.605,2 9.667,3 3.486,4 12.151,5 101.49,6 7.754,7 0.6,8 3.974,9 4.079,10 3.58,11 3.475,12 5.106,13 3.484,14 4.496,15 4.652,16 3.903,17 3.826,18 5.62,19 3.817,20 4.695,21 4.896,22 3.901,23 3.931,24 5.728,25 3.886,26 4.672,27 4.892,28 3.816,29 3.866,30 5.675,31 3.806,32 4.643,33 4.858,34 3.884,35 3.826,36 5.721,37 3.794,38 4.605,39 4.788,40 3.877,41 3.805,42 5.678,43 3.805,44 4.603,45 4.774,46 3.875,47 3.876,48 5.741,49 3.833,50 4.711,51 4.938,52 3.742,53 3.949,54 5.611,55 3.847,56 0.064,57 0.697,58 9.053,59 4.11,60 8.714,61 5.051,62 0.393,63 1.1,64 17.822,65 6.44,66 28.051,67 8.132,68 0.455,69 1.286,70 23.392,71 7.866,72 36.116,73 10.581,74 0.366,75 1.245,76 23.237,77 7.906,78 33.289,79 10.953,80 0.434,81 1.194,82 22.935,83 7.645,84 42.628,85 10.452,86 0.435,87 1.172,88 21.344,89 6.315,90 33.028,91 8.059,92 0.64,93 1.183,94 20.504,95 7.171,96 45.041,97 9.38,98 0.278,99 1.268,100 24.173,101 9.286,102 29.208,103 12.824,104 2,105 40,106 0.273,107 0.602,108 0.771,109 0.857,110 0.865,111 0.865,112 3.34,113 0.882,114 -3.7,115 -3.67,116 -3.49,119 42.6,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 4,175 6,180 2,183 6,186 2,187 4,192 2,195 4,198 2,199 6,204 1,207 1,211 3,212 11,215 1,217 1,220 1,224 5,236 3,237 9,240 3,245 2,250 5,258 4,263 3,271 5,275 1139,276 18.723,277 18.723,278 18.723,279 18.723,280 18.723,281 16.587,282 20.156,283 11.471,284 19.341,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 11.702,291 27.042,292 5.554,293 15.904,294 3.95,295 2.011,296 1.021,297 0.511,298 0.468,299 0.468,300 4.044,303 1,304 1,305 1,306 570,307 2.345,311 354.199,318 1.432,319 25.075,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 261,332 4.374,333 3.212,334 6.317,335 3.978,336 3.029,337 4.043,338 1.151,339 9.721,340 2.893,341 4.025,342 2.944,343 6.033,344 3.675,345 2.727,346 3.567,347 0.86,348 8.707,349 2.568,350 3.898,351 2.857,352 5.407,353 3.493,354 2.548,355 3.442,356 0.8,357 7.14,358 2.414,359 3.641,360 2.594,361 5.254,362 3.281,363 2.357,364 2.899,366 6.713,367 2.174,368 3.454,369 2.359,370 4.996,371 3.043,372 2.117,373 2.743,375 5.913,376 1.939,377 2.962,378 2.265,379 4.432,380 2.669,381 1.764,382 2.102,384 4.428,385 1.592,386 2.893,387 1.682,388 4.137,389 2.467,390 1.493,391 2.013,393 3.577,394 1.45,395 2.789,396 1.524,397 3.635,398 2.327,399 1.365,400 1.887,402 3.134,403 1.307,404 2.551,405 1.339,406 3.492,407 2.079,408 1.126,409 1.575,411 2.621,412 1.069,413 2.5,414 1.256,415 3.469,416 1.959,417 1,418 1.5,420 2.476,421 0.956,422 2.2,423 1.063,424 3.247,425 1.952,426 1,427 1.173,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.909,434 1,435 1,436 2.136,437 0.902,438 1.822,439 0.963,440 3.12,441 1.485,442 0.604,443 0.714,445 1.432,446 0.527,447 0.99,448 -0.057,449 2.662,450 0.569,451 -0.378,452 -0.487,454 -0.867,455 -0.352,456 0.929,457 -0.092,458 2.545,459 0.53,460 -0.401,461 -0.501,463 -1.033,464 -0.37,465 12.6,466 0.467,467 0.482,468 0.018,469 38,470 1.407,471 19.5,472 0.722,473 18.5,474 0.685,475 18.895,476 0.7,477 28.8,478 0.613,479 27.38,480 1.014,481 7.7,482 0.285,483 5.576,484 0.207,485 0.026,487 0.27,493 0.925,494 1.426,495 0.744,496 1.155,497 0.921,498 0.958,499 1.151,500 1.055,501 0.957,502 0.95,503 0.779,504 0.925,505 1.084,506 1.053,507 1.033,508 0.963,509 1.015,510 0.976,511 0.891,512 1.079,513 0.973,514 1.051,515 0.904,516 1.02,517 0.946,518 1.023,519 0.814,520 0.928,521 0.76,522 0.86,523 1.663,524 1.1,525 1.132,526 0.884,527 1.253,528 0.886,529 0.917,530 1.015,531 1.122,532 1.032,533 0.811,534 1.097,535 0.696,536 1.034,537 0.981,538 1.115,539 0.713,540 1.102,541 4.5,542 0.078,543 2,544 0.938,545 1.178,546 0.792,547 0.309,548 0.389,549 0.221,550 0.099,551 8962,552 24323,553 2.165,554 42.6,556 18,558 1,559 1,564 1.707,565 2.104,566 3.272,567 -0.309,569 1,573 75.434,574 1.605,575 3.544,576 4.533,577 5.044,578 5.087,579 5.087,580 2.661,581 4.385,582 4.724,583 3.433,584 1205,585 8.237,586 15700.5,588 1,590 1,591 261.066,592 1.038,593 4.719,594 0.15,595 0.004,596 0.05,597 0.024,598 0.034,599 0.021,600 0.008,601 0.011,602 0.007,603 0.004,604 0.311,605 0.33,606 1,607 0.352,608 133.069,609 -0.07,610 -0.278,611 0.06,612 -0.116,613 -0.095,614 -0.025,615 -0.029,616 0.045,617 -0.043,618 0.016,619 0.038,620 -0.019,621 -0.085,622 -0.011,623 -0.079,624 -0.005,625 -0.086,626 -0.033,627 -0.013,628 -0.059,629 -0.01,630 -0.09,631 -0.05,632 -0.053,633 0.084,634 -0.02,635 0.174,636 0.029,637 0.156,638 0.099,639 -0.339,640 -0.025,641 -0.149,642 0.027,643 -0.234,644 -0.008,645 0.192,646 0.061,647 -0.191,648 -0.072,649 0.117,650 -0.183,651 -0.023,652 -0.068,653 -0.043,654 -0.096,655 -0.005,656 -0.073,657 1.477,658 3.804,659 0.889,660 25.317,661 1.01,662 1.126,663 2.474,664 6.123,665 0.67,666 3.434,667 3.714,668 3.951,669 4.205,670 4.466,671 4.466,672 4.654,673 4.771,674 4.913,675 4.949,676 6.145,677 0.648,678 364.44,679 3.434,680 4.949,681 5.778,682 6.632,683 7.478,684 8.34,685 9.195,686 10.061,687 10.922,688 11.791,689 8.5,695 1,699 3,704 9,705 3,709 6,711 18,726 1,728 1,729 1,731 47,733 18,734 1,735 30,737 50,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,777 1,778 1,781 20,782 7,783 1,784 7,790 4,794 1,795 3,805 1,806 1,812 4,839 1,840 4,848 27,853 1,854 5,856 2,859 1,870 6.4,872 1,874 1,875 1,877 12.833,878 8.333,879 5.972,880 2.735,881 2.885,882 1.394,883 0.968,884 5.468,885 10.197,886 3.689,887 4.241,888 4.777,889 5.331,890 5.889,891 6.026,892 6.451,893 6.801,894 7.202,895 7.458,896 1,897 39,898 9.951,900 4.173,901 7.704,902 19.01,904 15.286,905 2.204,906 59.5,909 1,910 223.651,911 118.259,912 53.481,914 64.683,917 118.259,918 288.334,919 53.481,921 17.989,922 75.81,923 115.811,924 31.871,925 6.714,926 211.88,928 223.651,929 171.74,930 64.683,933 223.651,934 53.683,935 11,937 36.935,938 84.448,939 50.357,941 223.651,942 118.164,943 118.259,946 223.651,947 33.401,948 87.982,950 115.04,951 223.651,952 118.164,953 118.259,955 0.567,956 0.321,957 0.177,958 0.102,959 19,960 7,961 0.1,962 5,964 1,965 3.982,966 230.128,968 24,969 124.382,974 17.712,975 8.336,976 4.536,978 118.164,979 16.286,980 13.349,984 3.547,986 42.683,987 460.074,988 39,999 47.458,1000 52.943,1001 0.289,1002 0.638,1003 0.816,1004 0.908,1005 0.916,1006 0.916,1007 4.894,1008 1.365,1009 5.72,1010 3.577,1011 4.394,1012 4.927,1013 1.806,1014 6.46,1015 4.271,1016 6.059,1017 1.126,1018 7.223,1019 3.134,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.576,1025 7.328,1026 1,1027 8.824,1028 2.621,1029 5.911,1030 7.032,1031 1.802,1032 10.267,1033 5.676,1034 8.63,1035 1,1036 10.485,1037 2.476,1038 6.111,1039 7.392,1040 0.268,1041 11.829,1042 5.818,1043 9.964,1044 1,1045 12.186,1046 2.136,1047 7.688,1048 9.401,1049 1.906,1050 14.403,1051 7.352,1052 11.32,1053 0.604,1054 13.914,1055 2.136,1056 8.306,1057 10.175,1058 0.188,1059 16.336,1060 7.918,1061 12.694,1062 -0.378,1063 15.662,1064 1.432,1065 9.613,1066 11.91,1067 2.069,1068 18.712,1069 9.184,1070 3.029,1071 -0.401,1072 17.425,1073 -0.867,1074 10.453,1075 12.922,1076 0.125,1077 20.816,1078 9.975,1079 2.727,1080 9.721,1081 19.199,1082 -1.033,1083 11.633,1084 14.505,1085 2.272,1086 23.115,1087 11.114,1088 2.548,1089 8.707,1090 20.982,1091 4.043,1092 12.59,1093 15.662,1094 0.082,1095 25.3,1096 12.025,1097 2.357,1098 7.14,1099 22.773,1100 3.567,1101 13.713,1102 17.158,1103 2.501,1104 27.57,1105 13.106,1106 2.117,1107 6.713,1108 24.57,1109 3.442,1110 14.733,1111 18.403,1112 0.054,1113 29.793,1114 14.081,1115 1.764,1116 5.913,1117 26.372,1118 2.899,1119 15.832,1120 19.849,1121 2.746,1122 32.055,1123 15.138,1124 1.493,1125 4.428,1126 28.178,1127 2.743,1128 16.886,1129 21.15,1130 0.035,1131 34.297,1132 16.147,1133 8433,1134 14027,1135 20.86,1136 31.478,1137 44.415,1138 44.762,1139 44.237,1140 44.28,1141 44.261,1142 57.314,1143 5.622,1144 120.264,1145 41.473,1146 5.374,1147 5.212,1148 6.119,1149 5.081,1150 5.029,1151 7.043,1152 2.302,1153 16.234,1154 4.893,1155 6.783,1156 1.48,1157 1.492,1158 1.475,1159 1.476,1160 1.475,1161 1.91,1162 0.187,1163 4.009,1164 1.382,1165 4.004,1166 4.038,1167 3.964,1168 3.901,1169 6.471,1170 3.909,1171 3.867,1172 3.906,1173 3.804,1174 3.761,1175 5.065,1176 3.766,1177 3.8,1178 3.845,1179 3.725,1180 3.629,1181 4.874,1182 3.649,1183 3.613,1184 3.656,1185 3.525,1186 3.408,1187 4.617,1188 3.428,1189 3.225,1190 3.266,1191 3.105,1192 3.04,1193 4.594,1194 3.046,1195 3.111,1196 3.206,1197 2.879,1198 2.941,1199 4.262,1200 2.91,1201 2.96,1202 2.995,1203 2.866,1204 2.766,1205 3.96,1206 2.783,1207 2.903,1208 2.96,1209 2.779,1210 2.744,1211 3.831,1212 2.741,1213 0.146,1214 0.107,1215 0.211,1216 0.133,1217 0.101,1218 4.374,1219 0.135,1220 3.212,1221 0.038,1222 6.317,1223 0.324,1224 3.978,1225 0.096,1226 3.029,1227 4.043,1228 1.151,1229 9.721,1230 2.893,1231 1.938,1232 1.913,1233 2.025,1234 2.067,1235 1.212,1236 2.051,1237 1.837,1238 1.8,1239 1.961,1240 1.97,1241 1.093,1242 1.97,1243 1.743,1244 1.694,1245 1.922,1246 1.942,1247 1.019,1248 1.94,1249 1.534,1250 1.49,1251 1.666,1252 1.752,1253 0.825,1254 1.728,1255 1.184,1256 1.139,1257 1.513,1258 1.411,1259 0.709,1260 1.429,1261 1.153,1262 1.064,1263 1.444,1264 1.376,1265 0.602,1266 1.42,1267 0.883,1268 0.844,1269 1.143,1270 1.152,1271 0.246,1272 1.133,1273 0.875,1274 0.825,1275 1.092,1276 1.108,1277 0.158,1278 1.107,1279 4.111,1281 5.398,1283 6.887,1285 8.461,1287 10.078,1294 9.804,1295 3.129,1297 11.241,1300 2.144,1305 30.444,1306 75.434,1307 166.562,1308 213.066,1309 237.066,1310 239.066,1311 239.066,1312 35.835,1313 7.313,1314 80.6,1315 80.6,1316 24,1317 12.337,1318 4.248,1319 3.322,1320 39.884,1321 99,1322 102,1323 0.195,1324 185.863,1325 319.03,1326 445.266,1327 13821,1329 18.476,1330 0.684,1331 0.548,1332 18.476,1333 14.784,1334 13.276,1335 0.443,1336 0.294,1337 8.654,1338 12.644,1339 8.519,1340 7.005,1341 13.276,1342 8.817,1343 11.605,1344 0.29,1345 0.154,1346 11.605,1347 6.153,1348 9.546,1349 0.187,1350 0.083,1351 9.546,1352 4.244,1353 8.001,1354 0.121,1355 0.043,1356 8.001,1357 2.867,1358 6.763,1359 0.079,1360 0.022,1361 6.763,1362 1.93,1363 0.301,1364 83.987,1365 0.219,1366 25.822,1367 0.551,1368 140,1369 440.201,1370 157.1,1371 417.005,1372 572.12,1373 394,1374 161,1375 419.037,1376 177.965,1377 420.928,1378 615.09,1379 396,1380 6.066}
{0 CHEMBL1644576,1 1.503,2 11.067,3 3.907,4 15.262,5 119.162,6 7.417,7 0.647,8 4.105,9 4.232,10 3.686,11 3.635,12 5.156,13 3.624,14 4.645,15 4.823,16 4.018,17 4.021,18 5.66,19 3.986,20 4.868,21 5.099,22 3.997,23 4.122,24 5.779,25 4.045,26 4.836,27 5.078,28 3.907,29 4.067,30 5.745,31 3.97,32 4.808,33 5.059,34 3.917,35 4.016,36 5.726,37 3.935,38 4.751,39 4.97,40 3.954,41 4.035,42 5.69,43 3.972,44 4.839,45 5.065,46 3.95,47 4.113,48 5.743,49 4.02,50 4.938,51 5.192,52 3.913,53 4.128,54 5.766,55 4.009,56 0.026,57 0.855,58 11.128,59 4.51,60 7.722,61 6.13,62 0.281,63 1.374,64 21.349,65 7.565,66 24.073,67 10.349,68 0.347,69 1.605,70 28.706,71 9.36,72 31.059,73 13.631,74 0.295,75 1.571,76 27.685,77 9.266,78 32.81,79 13.699,80 0.376,81 1.504,82 27.565,83 8.622,84 36.538,85 13.017,86 0.24,87 1.488,88 24.685,89 7.961,90 26.268,91 11.692,92 0.336,93 1.568,94 27.301,95 9.654,96 30.03,97 13.872,98 0.262,99 1.618,100 31.579,101 11.53,102 32.757,103 16.655,105 46,106 0.246,107 0.597,108 0.78,109 0.869,110 0.869,111 0.869,112 3.441,113 0.907,114 -4.02,115 -3.97,116 -3.76,119 42.6,121 1,125 5,142 8,143 2,145 1,146 2,147 1,150 1,151 1,152 1,172 7,174 3,175 6,178 1,180 5,183 8,186 1,187 3,192 2,195 7,199 5,202 3,204 3,207 4,211 2,212 5,215 1,217 4,220 1,223 1,224 7,229 2,232 3,237 5,240 3,241 1,242 1,245 3,249 2,250 8,255 1,258 3,263 6,268 1,271 4,275 1558,276 21.085,277 21.085,278 21.085,279 21.085,280 21.085,281 18.588,282 20.167,283 12.83,284 21.664,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.103,291 30.354,292 6.186,293 17.801,294 4.252,295 2.106,296 0.991,297 0.444,298 0.444,299 0.444,300 4.158,304 1,305 1,306 745,307 2.646,310 73.15,311 373.474,314 123.674,318 1.604,319 18.969,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 332,332 4.478,333 3.186,334 6.355,335 4.028,336 3.063,337 4.393,338 0.86,339 9.832,340 2.976,341 4.272,342 2.975,343 6.177,344 3.833,345 2.887,346 3.938,347 0.8,348 9.207,349 2.724,350 3.897,351 2.758,352 5.942,353 3.535,354 2.584,355 3.444,356 0.4,357 8.377,358 2.444,359 3.833,360 2.69,361 5.352,362 3.492,363 2.524,364 3.21,366 6.988,367 2.441,368 3.566,369 2.416,370 5.28,371 3.226,372 2.284,373 2.809,375 6.75,376 2.145,377 3.034,378 2.26,379 4.495,380 2.686,381 1.783,382 2.301,384 4.56,385 1.613,386 2.998,387 1.674,388 4.379,389 2.526,390 1.547,391 2.151,393 4.243,394 1.507,395 2.925,396 1.549,397 4.202,398 2.509,399 1.534,400 2.091,402 3.77,403 1.494,404 2.825,405 1.534,406 3.676,407 2.381,408 1.424,409 1.904,411 3.222,412 1.357,413 2.526,414 1.309,415 3.493,416 2.044,417 1.114,418 1.539,420 2.62,421 1.034,422 2.5,423 1.256,424 3.434,425 1.963,426 1,427 1.5,428 2.356,429 0.961,430 2.232,431 1.143,432 3.319,433 1.952,434 1,435 1.207,436 2.256,437 0.949,438 2.179,439 1.017,440 3.247,441 1.951,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.91,451 1,452 1,454 2.136,455 0.903,456 1.901,457 0.41,458 3.04,459 1.381,460 0.409,461 0.609,463 1.011,464 0.397,465 14.233,466 0.474,467 0.496,468 0.017,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.766,476 0.759,477 31.367,478 0.581,479 29.694,480 0.99,481 8.266,482 0.276,483 6.583,484 0.219,487 0.274,493 0.958,494 1.414,495 0.781,496 1.097,497 0.84,498 0.942,499 1.275,500 1.066,501 0.982,502 0.97,503 1.013,504 0.951,505 1.208,506 1.054,507 1.033,508 0.924,509 1.157,510 0.948,511 0.868,512 1.079,513 1.051,514 1.056,515 1.186,516 1.064,517 0.902,518 0.998,519 0.93,520 0.876,521 1.002,522 0.888,523 1.129,524 1.154,525 1.053,526 1.015,527 0.988,528 1.007,529 0.877,530 0.992,531 1.079,532 1.075,533 0.967,534 1.093,535 0.794,536 1.056,537 0.931,538 1.089,539 0.743,540 1.044,541 4.5,542 0.064,543 2.444,544 1.069,545 1.084,546 0.934,547 0.373,548 0.259,549 0.337,550 0.167,551 12947,552 30621,553 2.228,554 44.4,556 18,557 1,558 1,559 2,560 2,564 1.733,565 2.195,566 3.448,567 0.21,569 1,573 81.173,574 1.503,575 3.648,576 4.764,577 5.31,578 5.31,579 5.31,580 2.874,581 4.082,582 4.875,583 3.619,584 1574.38,585 8.533,586 22261.6,588 1,591 310.764,592 0.837,593 4.881,594 0.132,595 0.002,596 0.053,597 0.024,598 0.028,599 0.023,600 0.009,601 0.006,602 0.009,603 0.005,604 0.292,605 0.33,606 0.88,608 154.091,609 -0.041,610 -0.236,611 0.073,612 -0.079,614 -0.002,615 -0.034,616 0.046,617 -0.046,618 -0.001,619 0.021,620 -0.029,621 -0.126,622 -0.025,623 -0.056,624 0.035,625 -0.124,626 0.004,627 -0.009,628 -0.044,629 -0.086,630 -0.101,631 -0.152,632 -0.103,633 0.076,634 0.028,635 0.06,636 0.065,637 0.049,638 0.065,639 -0.136,640 -0.066,641 -0.099,642 -0.073,643 -0.057,644 -0.075,645 0.041,646 0.046,647 -0.128,648 -0.099,649 -0.054,650 -0.128,651 0.072,652 -0.125,653 0.051,654 -0.081,655 0.136,656 -0.031,657 0.928,658 1.996,659 0.9,660 31.524,661 0.998,662 1.128,663 2.789,664 7.779,665 0.673,666 3.555,667 3.85,668 4.127,669 4.394,670 4.625,671 4.691,672 4.883,673 5.037,674 5.153,675 5.288,676 6.839,677 0.64,678 400.53,679 3.555,680 5.081,681 5.927,682 6.79,683 7.65,684 8.521,685 9.388,686 10.263,687 11.136,688 12.014,689 11.1,694 1,695 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,724 1,726 1,731 54,733 22,734 1,735 34,737 58,738 23,739 17,740 3,741 3,746 5,747 6,758 1,761 17,762 6,778 1,781 24,782 6,783 2,784 7,790 6,794 0.8,795 1,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.55,879 6.583,880 3.289,881 3.772,882 1.48,883 1.033,884 5.599,885 11.623,886 3.829,887 4.422,888 5.026,889 5.627,890 6.158,891 6.456,892 6.936,893 7.379,894 7.685,895 8.116,896 1,897 44,898 11.067,900 4.674,901 7.506,902 21.631,904 17.877,905 2.006,906 60.167,908 1,909 1,910 258.964,911 129.584,912 88.277,914 11,917 129.584,918 269.964,919 88.277,921 18.036,922 84.857,923 91.138,924 40.229,925 18.142,926 235.422,928 258.964,929 217.862,930 11,933 258.964,935 11,937 51.282,938 98.212,939 68.367,941 258.964,942 99.277,943 129.584,946 258.964,947 35.68,948 97.029,949 34.796,950 61.356,951 258.964,952 99.277,953 129.584,955 0.57,956 0.33,957 0.183,958 0.098,959 23,960 8,961 0.103,962 6,963 1,964 1.074,965 4.334,966 271.623,967 0.074,968 27,969 143.207,974 19.042,975 8.821,976 4.479,977 2.29,978 82.492,979 20.224,980 14.055,981 3.282,984 4.592,986 34.796,987 487.826,988 45,999 53.891,1000 60.936,1001 0.261,1002 0.634,1003 0.828,1004 0.923,1005 0.923,1006 0.923,1007 5.04,1008 1.534,1009 5.872,1010 4.243,1011 4.533,1012 5.109,1013 1.324,1014 6.635,1015 4.435,1016 6.217,1017 1.424,1018 7.388,1019 3.77,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.757,1025 7.501,1026 1.114,1027 9.004,1028 3.222,1029 6.071,1030 7.3,1031 0.958,1032 10.499,1033 5.886,1034 8.823,1035 1,1036 10.682,1037 2.62,1038 6.312,1039 7.841,1040 0.268,1041 12.117,1042 6.093,1043 10.18,1044 1,1045 12.401,1046 2.356,1047 7.882,1048 9.799,1049 0.736,1050 14.687,1051 7.619,1052 11.562,1053 1,1054 14.147,1055 2.256,1056 8.547,1057 10.781,1058 0.188,1059 16.657,1060 8.253,1061 12.964,1062 1,1063 15.912,1064 2.136,1065 9.847,1066 12.472,1067 0.57,1068 19.032,1069 9.512,1070 3.063,1071 0.409,1072 17.691,1073 2.136,1074 10.725,1075 13.684,1076 0.125,1077 21.157,1078 10.36,1079 2.887,1080 9.832,1081 19.48,1082 1.011,1083 11.903,1084 15.25,1085 0.439,1086 23.457,1087 11.501,1088 2.584,1089 9.207,1090 21.276,1091 4.393,1092 12.889,1093 16.582,1094 0.082,1095 25.653,1096 12.456,1097 2.524,1098 8.377,1099 23.079,1100 3.938,1101 14.014,1102 18.09,1103 0.334,1104 27.927,1105 13.549,1106 2.284,1107 6.988,1108 24.886,1109 3.444,1110 15.054,1111 19.486,1112 0.054,1113 30.157,1114 14.558,1115 1.783,1116 6.75,1117 26.698,1118 3.21,1119 16.159,1120 20.968,1121 0.252,1122 32.421,1123 15.633,1124 1.547,1125 4.56,1126 28.512,1127 2.809,1128 17.227,1129 22.398,1130 0.035,1131 34.669,1132 16.671,1133 11818,1134 18310,1135 24.038,1136 36.341,1137 50.632,1138 50.622,1139 50.123,1140 50.335,1141 50.308,1142 66.48,1143 4.12,1144 138.929,1145 47.78,1146 5.478,1147 5.186,1148 6.157,1149 5.131,1150 5.063,1151 7.393,1152 1.72,1153 16.407,1154 4.976,1156 1.489,1157 1.489,1158 1.474,1159 1.48,1160 1.48,1161 1.955,1162 0.121,1163 4.086,1164 1.405,1165 4.131,1166 4.167,1167 4.089,1168 4.046,1169 5.044,1170 4.052,1171 3.92,1172 3.974,1173 3.864,1174 3.789,1175 4.91,1176 3.796,1177 3.856,1178 3.905,1179 3.797,1180 3.693,1181 4.88,1182 3.718,1183 3.683,1184 3.737,1185 3.575,1186 3.489,1187 4.6,1188 3.501,1189 3.449,1190 3.519,1191 3.33,1192 3.294,1193 4.294,1194 3.293,1195 3.305,1196 3.367,1197 3.19,1198 3.159,1199 4.157,1200 3.158,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.852,1206 2.91,1207 2.956,1208 3.019,1209 2.849,1210 2.82,1211 3.845,1212 2.817,1213 0.132,1214 0.094,1215 0.187,1216 0.118,1217 0.09,1218 4.478,1219 0.129,1220 3.186,1221 0.025,1222 6.355,1223 0.289,1224 4.028,1225 0.088,1226 3.063,1227 4.393,1228 0.86,1229 9.832,1230 2.976,1231 1.976,1232 1.952,1233 2.05,1234 2.085,1235 1.212,1236 2.073,1237 1.86,1238 1.819,1239 1.994,1240 1.992,1241 1.176,1242 1.996,1243 1.756,1244 1.705,1245 1.922,1246 1.961,1247 1.161,1248 1.953,1249 1.605,1250 1.554,1251 1.772,1252 1.812,1253 0.854,1254 1.802,1255 1.482,1256 1.418,1257 1.662,1258 1.696,1259 0.825,1260 1.692,1261 1.395,1262 1.328,1263 1.608,1264 1.594,1265 0.748,1266 1.608,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.638,1272 1.429,1273 0.999,1274 0.95,1275 1.183,1276 1.175,1277 0.295,1278 1.179,1279 4.234,1281 5.533,1282 2.398,1283 7.031,1284 4.595,1285 8.616,1286 6.581,1287 10.246,1295 4.584,1296 3.458,1297 5.496,1300 2.185,1305 34.584,1306 81.173,1307 197.015,1308 257.254,1309 286.764,1310 286.764,1311 286.764,1312 34.67,1313 7.851,1314 78.96,1315 78.96,1316 29,1317 12.552,1318 4.524,1319 3.585,1320 41.371,1321 122,1322 132,1323 0.162,1324 209.915,1325 349.45,1326 503.953,1327 28093,1329 20.175,1330 0.673,1331 0.557,1332 20.175,1333 16.713,1334 14.848,1335 0.437,1336 0.302,1337 10.129,1338 14.273,1339 9.968,1340 8.196,1341 14.848,1342 10.281,1343 12.951,1344 0.282,1345 0.159,1346 12.951,1347 7.315,1348 11.141,1349 0.183,1350 0.086,1351 11.141,1352 5.272,1353 9.483,1354 0.119,1355 0.046,1356 9.483,1357 3.65,1358 7.698,1359 0.076,1360 0.024,1361 7.698,1362 2.428,1363 0.252,1364 92.845,1365 0.204,1366 28.407,1367 0.447,1368 160,1369 424.982,1370 174.785,1371 414.04,1372 584.43,1373 394,1374 187,1375 442.214,1376 202.258,1377 447.465,1378 656.2,1379 424,1380 5}
{0 CHEMBL1644577,1 1.503,2 11.067,3 3.765,4 14.171,5 119.74,6 7.417,7 0.647,8 4.105,9 4.232,10 3.686,11 3.635,12 5.157,13 3.624,14 4.645,15 4.824,16 4.015,17 4.025,18 5.656,19 3.989,20 4.865,21 5.091,22 3.997,23 4.133,24 5.772,25 4.052,26 4.857,27 5.105,28 3.907,29 4.072,30 5.752,31 3.973,32 4.81,33 5.064,34 3.918,35 4.013,36 5.736,37 3.934,38 4.741,39 4.958,40 3.95,41 4.037,42 5.676,43 3.975,44 4.84,45 5.064,46 3.952,47 4.119,48 5.753,49 4.025,50 4.943,51 5.197,52 3.909,53 4.132,54 5.756,55 4.012,56 0.026,57 0.855,58 11.128,59 4.51,60 8.055,61 6.13,62 0.289,63 1.373,64 21.374,65 7.574,66 24.053,67 10.345,68 0.317,69 1.6,70 28.359,71 9.615,72 29.29,73 13.898,74 0.279,75 1.588,76 28.511,77 9.444,78 32.864,79 14.067,80 0.42,81 1.51,82 27.771,83 8.537,84 38.423,85 12.893,86 0.211,87 1.476,88 24.309,89 7.889,90 24.274,91 11.578,92 0.358,93 1.573,94 27.249,95 9.742,96 31.817,97 13.924,98 0.213,99 1.618,100 31.744,101 11.551,102 30.922,103 16.767,105 46,106 0.246,107 0.604,108 0.787,109 0.869,110 0.869,111 0.869,112 3.441,113 0.906,114 -4.02,115 -3.97,116 -3.76,119 42.6,121 1,125 5,142 7,143 3,145 2,146 1,147 1,150 1,151 1,152 1,172 8,174 3,175 5,178 1,180 5,183 8,186 1,187 4,192 3,195 7,199 5,202 2,204 3,207 3,211 2,212 6,215 2,217 4,220 2,224 6,229 1,232 3,236 1,237 8,240 3,241 1,242 1,245 4,250 6,255 1,258 4,262 2,263 5,268 1,271 5,275 1558,276 21.085,277 21.085,278 21.085,279 21.085,280 21.085,281 18.588,282 20.167,283 12.83,284 21.662,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.103,291 30.354,292 6.186,293 17.79,294 4.252,295 2.063,296 0.947,297 0.444,298 0.444,299 0.444,300 4.158,304 1,305 1,306 745,307 2.646,310 73.15,311 373.474,314 123.674,318 1.604,319 18.697,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 332,332 4.478,333 3.186,334 6.355,335 4.028,336 3.063,337 4.393,338 0.86,339 9.832,340 2.976,341 4.272,342 2.975,343 6.177,344 3.833,345 2.887,346 3.938,347 0.8,348 9.207,349 2.724,350 3.897,351 2.758,352 5.942,353 3.536,354 2.584,355 3.444,356 0.4,357 8.377,358 2.495,359 3.833,360 2.69,361 5.352,362 3.512,363 2.524,364 3.21,366 6.988,367 2.444,368 3.566,369 2.416,370 5.28,371 3.226,372 2.284,373 2.809,375 6.75,376 2.146,377 3.034,378 2.26,379 4.495,380 2.685,381 1.783,382 2.301,384 4.56,385 1.608,386 2.998,387 1.674,388 4.379,389 2.509,390 1.547,391 2.151,393 4.243,394 1.494,395 2.925,396 1.549,397 4.202,398 2.504,399 1.534,400 2.091,402 3.77,403 1.475,404 2.825,405 1.534,406 3.676,407 2.379,408 1.424,409 1.904,411 3.222,412 1.355,413 2.526,414 1.309,415 3.493,416 2.043,417 1.114,418 1.539,420 2.62,421 1.033,422 2.5,423 1.256,424 3.434,425 1.962,426 1,427 1.5,428 2.356,429 0.96,430 2.232,431 1.143,432 3.319,433 1.952,434 1,435 1.207,436 2.256,437 0.948,438 2.179,439 1.017,440 3.247,441 1.951,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.911,451 1,452 1,454 2.136,455 0.903,456 1.901,457 0.41,458 3.04,459 1.381,460 0.409,461 0.609,463 1.011,464 0.397,465 14.233,466 0.474,467 0.496,468 0.017,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.789,476 0.76,477 31.367,478 0.581,479 29.671,480 0.989,481 8.26,482 0.275,483 6.588,484 0.22,487 0.274,493 0.958,494 1.414,495 0.781,496 1.097,497 0.826,498 0.942,499 1.289,500 1.02,501 0.989,502 0.943,503 1.027,504 0.936,505 1.13,506 1.099,507 1.03,508 0.986,509 1.078,510 0.994,511 0.879,512 1.105,513 1.027,514 1.044,515 1.178,516 1.043,517 0.925,518 0.922,519 0.941,520 0.831,521 1.036,522 0.864,523 1.157,524 1.193,525 1.063,526 1.031,527 1.028,528 1.018,529 0.847,530 0.954,531 1.093,532 1.079,533 0.95,534 1.106,535 0.83,536 1.116,537 0.926,538 1.098,539 0.742,540 1.042,541 4.5,542 0.064,543 2.444,544 1.069,545 1.084,546 0.934,547 0.373,548 0.259,549 0.337,550 0.167,551 12947,552 30789,553 2.228,554 44.4,556 17,557 1,558 2,559 2,561 2,564 1.733,565 2.195,566 3.448,567 0.21,569 1,573 81.173,574 1.503,575 3.692,576 4.807,577 5.31,578 5.31,579 5.31,580 2.874,581 4.082,582 4.875,583 3.619,584 1574.38,585 8.533,586 22261.6,588 1,591 310.764,592 0.837,593 4.881,594 0.132,595 0.002,596 0.053,597 0.024,598 0.028,599 0.023,600 0.009,601 0.006,602 0.009,603 0.005,604 0.292,605 0.33,606 0.88,608 154.091,609 -0.041,610 -0.236,611 0.073,612 -0.079,613 0.015,614 -0.002,615 -0.048,616 0.093,617 -0.053,618 0.026,619 0.005,620 -0.014,621 -0.097,622 -0.077,623 -0.064,624 -0.012,625 -0.1,626 -0.032,627 -0.029,628 -0.083,629 -0.056,630 -0.088,631 -0.149,632 -0.077,633 0.086,634 0.112,635 0.055,636 0.1,637 0.043,638 0.081,639 -0.178,640 -0.104,641 -0.114,642 -0.084,643 -0.106,644 -0.084,645 0.069,646 0.088,647 -0.143,648 -0.103,649 -0.036,650 -0.143,651 0.018,652 -0.193,653 0.055,654 -0.087,655 0.116,656 -0.024,657 0.925,658 1.997,659 0.9,660 31.524,661 0.998,662 1.128,663 2.789,664 7.779,665 0.673,666 3.555,667 3.85,668 4.127,669 4.394,670 4.625,671 4.691,672 4.883,673 5.037,674 5.153,675 5.288,676 6.839,677 0.64,678 400.53,679 3.555,680 5.081,681 5.927,682 6.79,683 7.65,684 8.521,685 9.388,686 10.263,687 11.136,688 12.014,689 11.1,694 1,695 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,724 1,726 1,731 54,733 22,734 1,735 34,737 58,738 23,739 17,740 3,741 3,746 5,747 6,758 1,761 17,762 6,778 1,781 24,782 6,783 2,784 7,790 6,794 0.8,795 1,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.55,879 6.583,880 3.278,881 3.772,882 1.48,883 1.033,884 5.599,885 11.623,886 3.829,887 4.422,888 5.026,889 5.627,890 6.158,891 6.456,892 6.936,893 7.379,894 7.685,895 8.116,896 1,897 44,898 11.065,900 4.671,901 7.506,902 21.631,904 17.886,905 2.006,906 60.167,908 1,909 1,910 258.964,911 129.584,912 88.277,914 11,917 129.584,918 269.964,919 88.277,921 18.036,922 75.381,923 102.909,924 49.706,925 18.142,926 223.651,928 258.964,929 217.862,930 11,933 235.422,934 23.542,935 11,937 57.573,938 91.922,939 68.367,941 258.964,942 99.277,943 129.584,946 258.964,947 36.108,948 96.6,949 34.796,950 61.356,951 258.964,952 99.277,953 129.584,955 0.57,956 0.33,957 0.183,958 0.098,959 23,960 8,961 0.103,962 6,963 1,964 1.074,965 4.334,966 271.623,967 0.074,968 27,969 143.207,974 19.042,975 8.821,976 4.479,977 2.293,978 82.492,979 20.172,980 13.856,981 3.283,984 4.747,986 34.796,987 487.826,988 45,999 53.891,1000 60.936,1001 0.261,1002 0.642,1003 0.835,1004 0.923,1005 0.923,1006 0.923,1007 5.04,1008 1.534,1009 5.872,1010 4.243,1011 4.533,1012 5.109,1013 1.324,1014 6.635,1015 4.437,1016 6.217,1017 1.424,1018 7.388,1019 3.77,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.771,1025 7.501,1026 1.114,1027 9.004,1028 3.222,1029 6.071,1030 7.3,1031 0.958,1032 10.499,1033 5.894,1034 8.823,1035 1,1036 10.682,1037 2.62,1038 6.312,1039 7.841,1040 0.268,1041 12.117,1042 6.112,1043 10.18,1044 1,1045 12.401,1046 2.356,1047 7.882,1048 9.799,1049 0.736,1050 14.687,1051 7.633,1052 11.562,1053 1,1054 14.147,1055 2.256,1056 8.547,1057 10.781,1058 0.188,1059 16.657,1060 8.274,1061 12.964,1062 1,1063 15.912,1064 2.136,1065 9.847,1066 12.472,1067 0.57,1068 19.032,1069 9.53,1070 3.063,1071 0.409,1072 17.691,1073 2.136,1074 10.725,1075 13.684,1076 0.125,1077 21.157,1078 10.38,1079 2.887,1080 9.832,1081 19.48,1082 1.011,1083 11.903,1084 15.25,1085 0.439,1086 23.457,1087 11.52,1088 2.584,1089 9.207,1090 21.276,1091 4.393,1092 12.889,1093 16.582,1094 0.082,1095 25.653,1096 12.475,1097 2.524,1098 8.377,1099 23.079,1100 3.938,1101 14.014,1102 18.09,1103 0.334,1104 27.927,1105 13.566,1106 2.284,1107 6.988,1108 24.886,1109 3.444,1110 15.054,1111 19.486,1112 0.054,1113 30.157,1114 14.575,1115 1.783,1116 6.75,1117 26.698,1118 3.21,1119 16.159,1120 20.968,1121 0.252,1122 32.421,1123 15.648,1124 1.547,1125 4.56,1126 28.512,1127 2.809,1128 17.227,1129 22.398,1130 0.035,1131 34.669,1132 16.686,1133 11818,1134 18356,1135 24.038,1136 36.341,1137 50.632,1138 50.622,1139 50.123,1140 50.324,1141 50.308,1142 66.48,1143 4.12,1144 138.929,1145 47.808,1146 5.478,1147 5.186,1148 6.157,1149 5.131,1150 5.063,1151 7.393,1152 1.72,1153 16.407,1154 4.976,1156 1.489,1157 1.489,1158 1.474,1159 1.48,1160 1.48,1161 1.955,1162 0.121,1163 4.086,1164 1.406,1165 4.131,1166 4.167,1167 4.089,1168 4.046,1169 5.044,1170 4.052,1171 3.922,1172 3.975,1173 3.865,1174 3.801,1175 4.91,1176 3.805,1177 3.857,1178 3.906,1179 3.799,1180 3.693,1181 4.889,1182 3.718,1183 3.683,1184 3.736,1185 3.575,1186 3.488,1187 4.6,1188 3.501,1189 3.441,1190 3.513,1191 3.327,1192 3.277,1193 4.296,1194 3.28,1195 3.301,1196 3.364,1197 3.186,1198 3.147,1199 4.166,1200 3.146,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.861,1206 2.91,1207 2.956,1208 3.018,1209 2.849,1210 2.819,1211 3.847,1212 2.817,1213 0.132,1214 0.094,1215 0.187,1216 0.118,1217 0.09,1218 4.478,1219 0.129,1220 3.186,1221 0.025,1222 6.355,1223 0.289,1224 4.028,1225 0.088,1226 3.063,1227 4.393,1228 0.86,1229 9.832,1230 2.976,1231 1.976,1232 1.952,1233 2.05,1234 2.086,1235 1.215,1236 2.073,1237 1.868,1238 1.829,1239 2.002,1240 1.993,1241 1.19,1242 1.999,1243 1.756,1244 1.705,1245 1.922,1246 1.961,1247 1.17,1248 1.953,1249 1.603,1250 1.552,1251 1.761,1252 1.811,1253 0.836,1254 1.799,1255 1.481,1256 1.417,1257 1.66,1258 1.696,1259 0.825,1260 1.692,1261 1.376,1262 1.305,1263 1.596,1264 1.587,1265 0.731,1266 1.598,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.636,1272 1.429,1273 0.998,1274 0.949,1275 1.183,1276 1.175,1277 0.292,1278 1.178,1279 4.234,1281 5.533,1282 2.398,1283 7.031,1284 4.595,1285 8.616,1286 6.581,1287 10.246,1295 4.662,1296 3.47,1297 5.497,1300 2.187,1305 34.584,1306 81.173,1307 199.364,1308 259.603,1309 286.764,1310 286.764,1311 286.764,1312 34.6,1313 7.851,1314 78.96,1315 78.96,1316 29,1317 12.552,1318 4.524,1319 3.585,1320 41.371,1321 122,1322 132,1323 0.162,1324 209.915,1325 349.45,1326 503.953,1327 28093,1329 20.175,1330 0.673,1331 0.557,1332 20.175,1333 16.713,1334 14.848,1335 0.437,1336 0.302,1337 10.118,1338 14.27,1339 9.953,1340 8.188,1341 14.848,1342 10.271,1343 12.951,1344 0.282,1345 0.16,1346 12.951,1347 7.356,1348 11.141,1349 0.183,1350 0.087,1351 11.141,1352 5.302,1353 9.483,1354 0.119,1355 0.046,1356 9.483,1357 3.666,1358 7.698,1359 0.076,1360 0.024,1361 7.698,1362 2.428,1363 0.252,1364 92.89,1365 0.204,1366 28.407,1367 0.447,1368 160,1369 424.982,1370 174.452,1371 414.329,1372 583.59,1373 394,1374 187,1375 439.862,1376 202.091,1377 446.272,1378 653.66,1379 422,1380 5}
{0 CHEMBL1644578,1 1.503,2 11.067,3 3.765,4 14.171,5 119.74,6 7.417,7 0.647,8 4.105,9 4.232,10 3.686,11 3.635,12 5.157,13 3.624,14 4.645,15 4.824,16 4.015,17 4.025,18 5.657,19 3.989,20 4.865,21 5.091,22 3.994,23 4.136,24 5.768,25 4.055,26 4.854,27 5.097,28 3.907,29 4.083,30 5.745,31 3.98,32 4.832,33 5.091,34 3.918,35 4.019,36 5.742,37 3.937,38 4.744,39 4.963,40 3.951,41 4.034,42 5.686,43 3.973,44 4.831,45 5.052,46 3.948,47 4.121,48 5.74,49 4.027,50 4.944,51 5.196,52 3.911,53 4.138,54 5.766,55 4.017,56 0.026,57 0.855,58 11.128,59 4.51,60 8.055,61 6.13,62 0.289,63 1.373,64 21.374,65 7.574,66 24.387,67 10.345,68 0.326,69 1.599,70 28.384,71 9.625,72 29.271,73 13.894,74 0.249,75 1.584,76 28.164,77 9.699,78 31.095,79 14.334,80 0.404,81 1.528,82 28.597,83 8.715,84 38.476,85 13.261,86 0.254,87 1.482,88 24.514,89 7.804,90 26.159,91 11.454,92 0.329,93 1.561,94 26.873,95 9.67,96 29.823,97 13.81,98 0.236,99 1.623,100 31.691,101 11.639,102 32.709,103 16.819,105 46,106 0.246,107 0.604,108 0.775,109 0.845,110 0.845,111 0.845,112 3.441,113 0.906,114 -4.02,115 -3.97,116 -3.76,119 42.6,121 1,125 5,142 7,143 3,145 2,146 1,147 1,150 1,151 1,152 1,172 8,174 3,175 5,178 1,180 5,183 9,186 1,187 3,192 3,195 6,199 6,202 2,204 4,207 3,211 2,212 6,215 1,217 3,220 2,224 7,227 1,229 1,232 4,237 6,240 3,241 1,242 1,245 3,249 1,250 9,255 1,258 5,263 2,268 1,271 6,275 1558,276 21.085,277 21.085,278 21.085,279 21.085,280 21.085,281 18.588,282 20.167,283 12.83,284 21.671,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.103,291 30.354,292 6.186,293 17.795,294 4.252,295 2.063,296 1.022,297 0.593,298 0.593,299 0.593,300 4.158,304 1,305 1,306 745,307 2.646,310 73.15,311 373.474,314 123.674,318 1.604,319 18.513,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 332,332 4.478,333 3.186,334 6.355,335 4.028,336 3.063,337 4.393,338 0.86,339 9.832,340 2.976,341 4.272,342 2.975,343 6.177,344 3.833,345 2.887,346 3.938,347 0.8,348 9.207,349 2.724,350 3.897,351 2.758,352 5.942,353 3.536,354 2.584,355 3.444,356 0.4,357 8.377,358 2.505,359 3.833,360 2.69,361 5.352,362 3.515,363 2.524,364 3.21,366 6.988,367 2.444,368 3.566,369 2.416,370 5.28,371 3.227,372 2.284,373 2.809,375 6.75,376 2.146,377 3.034,378 2.26,379 4.495,380 2.684,381 1.783,382 2.301,384 4.56,385 1.606,386 2.998,387 1.674,388 4.379,389 2.509,390 1.547,391 2.151,393 4.243,394 1.494,395 2.925,396 1.549,397 4.202,398 2.487,399 1.534,400 2.091,402 3.77,403 1.448,404 2.825,405 1.534,406 3.676,407 2.377,408 1.424,409 1.904,411 3.222,412 1.352,413 2.526,414 1.309,415 3.493,416 2.04,417 1.114,418 1.539,420 2.62,421 1.03,422 2.5,423 1.256,424 3.434,425 1.984,426 1,427 1.5,428 2.356,429 0.983,430 2.232,431 1.143,432 3.319,433 1.953,434 1,435 1.207,436 2.256,437 0.95,438 2.179,439 1.017,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.91,451 1,452 1,454 2.136,455 0.902,456 1.901,457 0.41,458 3.04,459 1.381,460 0.409,461 0.609,463 1.011,464 0.397,465 14.233,466 0.474,467 0.496,468 0.017,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.804,476 0.76,477 31.367,478 0.581,479 29.656,480 0.989,481 8.261,482 0.275,483 6.588,484 0.22,487 0.274,493 0.958,494 1.414,495 0.781,496 1.097,497 0.826,498 0.942,499 1.289,500 1.02,501 0.989,502 0.943,503 1.019,504 0.936,505 1.141,506 1.063,507 1.035,508 0.965,509 1.088,510 0.983,511 0.801,512 1.15,513 1.025,514 1.106,515 1.099,516 1.089,517 0.935,518 0.951,519 0.919,520 0.824,521 1.031,522 0.847,523 1.182,524 1.11,525 1.074,526 0.983,527 1.065,528 0.992,529 0.87,530 0.987,531 1.102,532 1.095,533 0.986,534 1.117,535 0.804,536 1.083,537 0.938,538 1.103,539 0.727,540 1.054,541 4.5,542 0.064,543 2.444,544 1.069,545 1.084,546 0.934,547 0.373,548 0.259,549 0.337,550 0.167,551 12947,552 30957,553 2.228,554 44.4,556 17,557 1,558 2,559 2,561 2,564 1.733,565 2.195,566 3.448,567 0.21,569 1,573 81.173,574 1.503,575 3.692,576 4.733,577 5.162,578 5.162,579 5.162,580 2.874,581 4.082,582 4.875,583 3.619,584 1574.38,585 8.533,586 22261.6,588 1,591 310.764,592 0.837,593 4.881,594 0.132,595 0.002,596 0.053,597 0.024,598 0.028,599 0.023,600 0.009,601 0.006,602 0.009,603 0.005,604 0.292,605 0.33,606 0.88,608 154.091,609 -0.041,610 -0.236,611 0.073,612 -0.079,613 0.015,614 -0.002,615 -0.048,616 0.093,617 -0.053,618 0.026,619 0.013,620 -0.014,621 -0.108,622 -0.04,623 -0.069,624 0.01,625 -0.113,626 -0.021,628 -0.135,629 -0.064,630 -0.135,631 -0.125,632 -0.113,633 0.063,634 0.068,635 0.083,636 0.109,637 0.041,638 0.104,639 -0.168,640 -0.013,641 -0.12,642 -0.046,643 -0.113,644 -0.067,645 0.032,646 0.055,647 -0.158,648 -0.113,649 -0.08,650 -0.151,651 0.043,652 -0.155,653 0.041,654 -0.09,655 0.132,656 -0.037,657 0.922,658 1.997,659 0.9,660 31.524,661 0.998,662 1.128,663 2.789,664 7.779,665 0.673,666 3.555,667 3.85,668 4.127,669 4.394,670 4.625,671 4.691,672 4.883,673 5.037,674 5.153,675 5.288,676 6.839,677 0.64,678 400.53,679 3.555,680 5.081,681 5.927,682 6.79,683 7.65,684 8.521,685 9.388,686 10.263,687 11.136,688 12.014,689 11.1,694 1,695 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,724 1,726 1,731 54,733 22,734 1,735 34,737 58,738 23,739 17,740 3,741 3,746 5,747 6,758 1,761 17,762 6,778 1,781 24,782 6,783 2,784 7,790 6,794 0.8,795 1,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.55,879 6.583,880 3.278,881 3.772,882 1.48,883 1.033,884 5.599,885 11.623,886 3.829,887 4.422,888 5.026,889 5.627,890 6.158,891 6.456,892 6.936,893 7.379,894 7.685,895 8.116,896 1,897 44,898 11.063,900 4.669,901 7.506,902 21.631,904 17.886,905 2.006,906 60.167,908 1,909 1,910 258.964,911 129.584,912 88.277,914 11,917 129.584,918 269.964,919 88.277,921 18.036,922 75.381,923 102.909,924 49.706,925 18.142,926 223.651,928 258.964,929 217.862,930 11,933 235.422,934 23.542,935 11,937 57.573,938 91.922,939 68.367,941 258.964,942 99.277,943 129.584,946 258.964,947 36.108,948 96.6,949 34.796,950 61.356,951 258.964,952 99.277,953 129.584,955 0.57,956 0.33,957 0.183,958 0.098,959 23,960 8,961 0.103,962 6,963 1,964 1.074,965 4.334,966 271.623,967 0.074,968 27,969 139.207,974 19.042,975 8.821,976 4.479,977 2.295,978 82.492,979 20.162,980 13.754,981 3.284,984 4.807,986 34.796,987 487.826,988 45,999 53.891,1000 60.936,1001 0.261,1002 0.642,1003 0.822,1004 0.897,1005 0.897,1006 0.897,1007 5.04,1008 1.534,1009 5.872,1010 4.243,1011 4.533,1012 5.109,1013 1.324,1014 6.635,1015 4.437,1016 6.217,1017 1.424,1018 7.388,1019 3.77,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.771,1025 7.501,1026 1.114,1027 9.004,1028 3.222,1029 6.071,1030 7.3,1031 0.958,1032 10.499,1033 5.895,1034 8.823,1035 1,1036 10.682,1037 2.62,1038 6.312,1039 7.841,1040 0.268,1041 12.117,1042 6.115,1043 10.18,1044 1,1045 12.401,1046 2.356,1047 7.882,1048 9.799,1049 0.736,1050 14.687,1051 7.636,1052 11.562,1053 1,1054 14.147,1055 2.256,1056 8.547,1057 10.781,1058 0.188,1059 16.657,1060 8.277,1061 12.964,1062 1,1063 15.912,1064 2.136,1065 9.847,1066 12.472,1067 0.57,1068 19.032,1069 9.533,1070 3.063,1071 0.409,1072 17.691,1073 2.136,1074 10.725,1075 13.684,1076 0.125,1077 21.157,1078 10.384,1079 2.887,1080 9.832,1081 19.48,1082 1.011,1083 11.903,1084 15.25,1085 0.439,1086 23.457,1087 11.524,1088 2.584,1089 9.207,1090 21.276,1091 4.393,1092 12.889,1093 16.582,1094 0.082,1095 25.653,1096 12.479,1097 2.524,1098 8.377,1099 23.079,1100 3.938,1101 14.014,1102 18.09,1103 0.334,1104 27.927,1105 13.57,1106 2.284,1107 6.988,1108 24.886,1109 3.444,1110 15.054,1111 19.486,1112 0.054,1113 30.157,1114 14.579,1115 1.783,1116 6.75,1117 26.698,1118 3.21,1119 16.159,1120 20.968,1121 0.252,1122 32.421,1123 15.651,1124 1.547,1125 4.56,1126 28.512,1127 2.809,1128 17.227,1129 22.398,1130 0.035,1131 34.669,1132 16.689,1133 11818,1134 18404,1135 24.038,1136 36.341,1137 50.632,1138 50.622,1139 50.123,1140 50.33,1141 50.308,1142 66.48,1143 4.12,1144 138.929,1145 47.804,1146 5.478,1147 5.186,1148 6.157,1149 5.131,1150 5.063,1151 7.393,1152 1.72,1153 16.407,1154 4.976,1156 1.489,1157 1.489,1158 1.474,1159 1.48,1160 1.48,1161 1.955,1162 0.121,1163 4.086,1164 1.406,1165 4.131,1166 4.167,1167 4.089,1168 4.046,1169 5.044,1170 4.053,1171 3.923,1172 3.975,1173 3.865,1174 3.804,1175 4.91,1176 3.807,1177 3.858,1178 3.907,1179 3.8,1180 3.693,1181 4.892,1182 3.718,1183 3.683,1184 3.736,1185 3.575,1186 3.488,1187 4.6,1188 3.501,1189 3.436,1190 3.51,1191 3.325,1192 3.266,1193 4.297,1194 3.271,1195 3.297,1196 3.362,1197 3.181,1198 3.13,1199 4.173,1200 3.131,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.874,1206 2.91,1207 2.956,1208 3.017,1209 2.849,1210 2.817,1211 3.847,1212 2.814,1213 0.132,1214 0.094,1215 0.187,1216 0.118,1217 0.09,1218 4.478,1219 0.129,1220 3.186,1221 0.025,1222 6.355,1223 0.289,1224 4.028,1225 0.088,1226 3.063,1227 4.393,1228 0.86,1229 9.832,1230 2.976,1231 1.976,1232 1.952,1233 2.051,1234 2.086,1235 1.217,1236 2.073,1237 1.871,1238 1.832,1239 2.005,1240 1.994,1241 1.194,1242 2,1243 1.756,1244 1.704,1245 1.922,1246 1.961,1247 1.171,1248 1.953,1249 1.602,1250 1.551,1251 1.756,1252 1.811,1253 0.83,1254 1.798,1255 1.48,1256 1.416,1257 1.658,1258 1.696,1259 0.825,1260 1.692,1261 1.359,1262 1.284,1263 1.584,1264 1.583,1265 0.719,1266 1.591,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.634,1272 1.429,1273 0.993,1274 0.943,1275 1.181,1276 1.174,1277 0.281,1278 1.174,1279 4.234,1281 5.533,1282 2.398,1283 7.031,1284 4.595,1285 8.616,1286 6.581,1287 10.246,1295 4.701,1296 3.478,1297 5.497,1300 2.189,1305 34.584,1306 81.173,1307 199.364,1308 255.603,1309 278.764,1310 278.764,1311 278.764,1312 34.424,1313 7.851,1314 78.96,1315 78.96,1316 29,1317 12.552,1318 4.524,1319 3.585,1320 41.371,1321 122,1322 132,1323 0.162,1324 209.915,1325 349.45,1326 503.953,1327 28093,1329 20.175,1330 0.673,1331 0.557,1332 20.175,1333 16.713,1334 14.848,1335 0.437,1336 0.302,1337 10.118,1338 14.266,1339 9.954,1340 8.186,1341 14.848,1342 10.271,1343 12.951,1344 0.282,1345 0.16,1346 12.951,1347 7.35,1348 11.141,1349 0.183,1350 0.087,1351 11.141,1352 5.328,1353 9.483,1354 0.119,1355 0.046,1356 9.483,1357 3.669,1358 7.698,1359 0.076,1360 0.024,1361 7.698,1362 2.426,1363 0.252,1364 92.89,1365 0.204,1366 28.407,1367 0.447,1368 160,1369 424.982,1370 174.452,1371 414.198,1372 583.55,1373 394,1374 187,1375 439.862,1376 201.925,1377 445.978,1378 653.26,1379 422,1380 5}
{0 CHEMBL1644579,1 1.71,2 11.688,3 2.997,4 8.98,5 126.911,6 7.838,7 0.514,8 4.167,9 4.281,10 3.908,11 3.694,12 5.211,13 3.664,14 4.722,15 4.892,16 4.134,17 4.044,18 5.964,19 4.003,20 4.952,21 5.173,22 4.1,23 4.154,24 5.983,25 4.08,26 4.9,27 5.132,28 4.087,29 4.14,30 5.904,31 4.044,32 4.921,33 5.144,34 4.127,35 4.147,36 5.989,37 4.069,38 4.91,39 5.127,40 4.127,41 4.159,42 5.928,43 4.084,44 4.956,45 5.175,46 4.126,47 4.198,48 6.005,49 4.098,50 5.034,51 5.279,52 4.104,53 4.207,54 5.951,55 4.09,56 0.111,57 0.928,58 14.47,59 5.293,60 17.161,61 6.606,62 0.554,63 1.435,64 26.76,65 8.841,66 66.403,67 11.207,68 0.637,69 1.662,70 32.516,71 9.913,72 67.55,73 13.658,74 0.405,75 1.646,76 31.971,77 10.541,78 44.878,79 14.603,80 0.536,81 1.647,82 31.835,83 10.148,84 58.304,85 14.069,86 0.415,87 1.665,88 30.998,89 9.944,90 43.186,91 13.955,92 0.548,93 1.7,94 32.352,95 11.313,96 58.142,97 15.532,98 0.501,99 1.737,100 37.404,101 12.252,102 53.998,103 17.461,104 12,105 48,106 0.277,107 0.596,108 0.775,109 0.858,110 0.863,111 0.863,112 3.502,113 1.054,114 -3.32,115 -3.31,116 -3.17,119 37.9,121 1,124 1,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 4,175 6,178 3,180 4,183 7,186 1,187 3,192 2,195 5,199 9,202 3,204 3,207 3,211 2,212 9,215 1,217 4,220 1,223 1,224 8,229 2,232 2,236 2,237 7,240 3,241 1,242 1,245 3,249 2,250 6,258 3,262 4,263 6,266 2,268 1,271 4,275 1978,276 21.532,277 21.532,278 21.532,279 21.532,280 21.532,281 19.072,282 25.04,283 13.058,284 22.158,285 17.397,286 17.397,287 17.397,288 17.397,289 17.397,290 13.617,291 33.829,292 6.332,293 18.425,294 4.148,295 2.183,296 1.074,297 0.565,298 0.53,299 0.53,300 4.2,304 1,305 1,306 801,307 3.674,311 442.01,318 1.77,319 34.048,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 374,332 4.645,333 4.311,334 6.461,335 4.087,336 3.147,337 4.443,338 0.86,339 10.216,340 2.955,341 4.369,342 3.183,343 6.313,344 3.959,345 3.018,346 4.039,347 0.8,348 9.71,349 2.844,350 4.017,351 2.874,352 6.033,353 3.66,354 2.714,355 3.56,356 0.4,357 8.713,358 2.545,359 3.897,360 2.737,361 5.366,362 3.495,363 2.529,364 3.444,366 7.029,367 2.441,368 3.648,369 2.578,370 5.321,371 3.325,372 2.38,373 2.902,375 6.913,376 2.244,377 3.468,378 2.296,379 5.144,380 3.082,381 2.128,382 2.752,384 6.338,385 2.023,386 2.966,387 2.257,388 4.448,389 2.674,390 1.773,391 2.113,393 4.468,394 1.599,395 2.919,396 1.666,397 4.178,398 2.525,399 1.544,400 2.037,402 3.669,403 1.507,404 2.8,405 1.542,406 3.676,407 2.35,408 1.385,409 1.894,411 3.221,412 1.334,413 2.554,414 1.344,415 3.498,416 2.1,417 1.15,418 1.579,420 2.639,421 1.09,422 2.5,423 1.256,424 3.479,425 1.965,426 1,427 1.5,428 2.485,429 0.963,430 2.229,431 1.15,432 3.319,433 1.952,434 1,435 1.202,436 2.258,437 0.949,438 2.179,439 1.034,440 3.247,441 1.951,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.908,451 1,452 1,454 2.136,455 0.901,456 1.22,457 0.733,458 3.092,459 0.949,465 15.233,466 0.476,467 0.798,468 0.025,469 44,470 1.375,471 22.5,472 0.703,473 21.5,474 0.672,475 25.782,476 0.806,477 35.167,478 0.606,479 34.346,480 1.073,481 8.51,482 0.266,483 6.95,484 0.217,485 0.077,486 0.055,487 0.223,493 0.693,494 1.542,495 0.817,496 1.31,497 0.691,498 1.013,499 0.923,500 1.131,501 1.09,502 1.108,503 0.564,504 0.989,505 1.315,506 0.991,507 0.946,508 0.772,509 1.238,510 0.925,511 0.713,512 1.076,513 0.931,514 1.007,515 0.58,516 1.009,517 0.94,518 1.049,519 0.903,520 0.9,521 0.948,522 0.959,523 0.925,524 1.133,525 0.926,526 0.994,527 0.761,528 1.027,529 0.711,530 1.026,531 0.92,532 1.019,533 0.63,534 1.098,535 0.766,536 1.005,537 0.815,538 0.995,539 0.694,540 1.031,541 7,542 0.17,543 2.222,544 1.563,545 1.298,546 1.146,547 0.63,548 0.3,549 0.468,550 0.319,551 14215,552 41202,553 2.093,554 44.8,556 21,558 1,559 2,560 2,564 1.75,565 1.99,566 3.509,567 0.27,569 1,573 99.179,574 1.71,575 3.674,576 4.784,577 5.293,578 5.328,579 5.328,580 2.951,581 4.414,582 4.967,583 3.71,584 1840.37,585 8.723,586 27470.1,588 1,591 339.763,592 1.355,593 4.94,594 0.2,595 0.005,596 0.046,597 0.035,598 0.029,599 0.025,600 0.014,601 0.007,602 0.011,603 0.008,604 0.379,605 0.33,606 0.88,607 0.789,608 168.29,609 0.045,610 -0.288,611 0.201,612 -0.136,613 -0.138,614 -0.012,615 0.144,616 0.003,617 -0.092,618 -0.078,619 0.295,620 -0.043,621 -0.242,622 0.029,623 -0.095,624 0.099,625 -0.21,626 0.004,627 -0.003,628 -0.025,629 -0.013,630 -0.049,631 0.026,632 -0.028,633 -0.042,634 -0.007,635 -0.021,636 0.015,637 -0.057,638 -0.005,639 -0.108,640 -0.071,641 -0.061,642 -0.071,643 -0.045,644 -0.068,645 0.088,646 0.008,647 -0.059,648 -0.084,649 0.075,650 -0.122,651 0.021,652 -0.058,653 0.067,654 -0.054,655 -0.014,656 -0.024,657 4.288,658 4.628,659 0.75,660 36.551,661 1.009,662 1.133,663 2.094,664 4.387,665 0.667,666 3.584,667 3.892,668 4.06,669 4.331,670 4.564,671 4.605,672 4.787,673 4.905,674 5.043,675 5.124,676 7.235,677 0.633,678 454.61,679 3.584,680 5.118,681 5.932,682 6.801,683 7.633,684 8.507,685 9.349,686 10.225,687 11.074,688 11.952,689 10.3,694 2,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,731 58,733 20,734 1,735 35,737 61,738 22,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 7,766 2,769 1,771 2,778 1,781 26,782 9,783 2,784 10,785 1,790 6,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 32,852 1,854 6,855 2,856 1,859 1,870 5.2,873 2,874 1,877 16.083,878 10.467,879 6.931,880 3.324,881 3.097,882 1.404,883 0.991,884 7.203,885 10.756,886 3.85,887 4.437,888 4.85,889 5.426,890 5.965,891 6.146,892 6.577,893 6.929,894 7.281,895 7.572,896 0.875,897 45,898 11.992,900 5.199,901 7.794,902 22.657,904 18.471,905 2.294,906 73.417,909 1,910 282.506,911 131.574,912 87.897,914 55.313,916 5.807,917 125.767,918 337.819,919 87.897,920 7.19,921 18.036,922 81.617,923 151.856,924 23.628,925 4.227,926 270.735,928 282.506,929 213.664,930 55.313,931 5.807,933 282.506,934 44.313,935 11,937 34.496,938 94.395,939 90.58,941 282.506,942 143.209,943 131.574,945 5.807,946 282.506,947 33.719,948 95.172,949 34.416,950 105.669,951 282.506,952 143.209,953 131.574,955 0.576,956 0.302,957 0.168,958 0.095,959 22,960 9,961 0.131,962 8,964 1,965 4.355,966 286.537,968 24,969 154,973 1,974 22.466,975 10.26,976 6.634,978 143.209,979 16.698,980 13.827,984 4.312,986 34.416,987 557.29,988 46,991 -3.371,993 23.256,999 58.505,1000 65.69,1001 0.292,1002 0.627,1003 0.817,1004 0.904,1005 0.909,1006 0.909,1007 5.078,1008 1.544,1009 5.922,1010 4.468,1011 4.575,1012 5.124,1013 1.324,1014 6.696,1015 4.465,1016 6.286,1017 1.385,1018 7.452,1019 3.669,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.015,1025 7.605,1026 1.15,1027 9.087,1028 3.221,1029 6.176,1030 7.351,1031 0.958,1032 10.638,1033 5.954,1034 8.963,1035 1,1036 10.785,1037 2.639,1038 6.594,1039 8.097,1040 0.268,1041 12.402,1042 6.287,1043 10.355,1044 1,1045 12.522,1046 2.485,1047 8.063,1048 9.899,1049 0.736,1050 14.919,1051 7.721,1052 11.77,1053 1,1054 14.286,1055 2.258,1056 8.844,1057 11.002,1058 0.188,1059 16.989,1060 8.419,1061 13.204,1062 1,1063 16.068,1064 2.136,1065 10.103,1066 12.613,1067 0.57,1068 19.358,1069 9.636,1070 3.147,1072 17.863,1073 2.136,1074 11.059,1075 13.892,1076 0.125,1077 21.556,1078 10.514,1079 3.018,1080 10.216,1081 19.668,1083 12.231,1084 15.421,1085 0.439,1086 23.876,1087 11.636,1088 2.714,1089 9.71,1090 21.481,1091 4.443,1092 13.272,1093 16.79,1094 0.082,1095 26.13,1096 12.605,1097 2.529,1098 8.713,1099 23.3,1100 4.039,1101 14.409,1102 18.283,1103 0.334,1104 28.434,1105 13.687,1106 2.38,1107 7.029,1108 25.124,1109 3.56,1110 15.493,1111 19.701,1112 0.054,1113 30.713,1114 14.701,1115 2.128,1116 6.913,1117 26.952,1118 3.444,1119 16.618,1120 21.181,1121 0.252,1122 33.014,1123 15.768,1124 1.773,1125 6.338,1126 28.783,1127 2.902,1128 17.723,1129 22.625,1130 0.035,1131 35.306,1132 16.805,1133 13584,1134 23318,1135 23.633,1136 38.659,1137 51.581,1138 53.279,1139 51.359,1140 51.593,1141 51.534,1142 67.217,1143 4.12,1144 143.856,1145 48.68,1146 5.645,1147 6.311,1148 6.263,1149 5.19,1150 5.147,1151 7.443,1152 1.72,1153 16.778,1154 4.955,1155 13.37,1156 1.474,1157 1.522,1158 1.467,1159 1.474,1160 1.472,1161 1.92,1162 0.118,1163 4.11,1164 1.391,1165 4.054,1166 4.075,1167 4.716,1168 3.989,1169 7.718,1170 3.944,1171 3.923,1172 3.942,1173 3.956,1174 3.83,1175 6.999,1176 3.787,1177 3.871,1178 3.903,1179 3.812,1180 3.775,1181 5.006,1182 3.734,1183 3.768,1184 3.787,1185 3.717,1186 3.615,1187 4.882,1188 3.615,1189 3.638,1190 3.685,1191 3.545,1192 3.457,1193 4.695,1194 3.467,1195 3.398,1196 3.469,1197 3.257,1198 3.241,1199 4.595,1200 3.232,1201 3.111,1202 3.206,1203 2.868,1204 2.941,1205 4.191,1206 2.91,1207 2.951,1208 3.017,1209 2.866,1210 2.794,1211 3.932,1212 2.8,1213 0.133,1214 0.123,1215 0.185,1216 0.117,1217 0.09,1218 4.645,1219 0.127,1220 4.311,1221 0.025,1222 6.461,1223 0.292,1224 4.087,1225 0.084,1226 3.147,1227 4.443,1228 0.86,1229 10.216,1230 2.955,1231 1.96,1232 1.939,1233 2.036,1234 2.081,1235 1.206,1236 2.077,1237 1.859,1238 1.819,1239 1.992,1240 1.993,1241 1.171,1242 2.002,1243 1.764,1244 1.747,1245 1.92,1246 1.966,1247 1.137,1248 1.969,1249 1.663,1250 1.656,1251 1.768,1252 1.84,1253 0.944,1254 1.871,1255 1.579,1256 1.533,1257 1.625,1258 1.75,1259 0.845,1260 1.775,1261 1.39,1262 1.325,1263 1.593,1264 1.584,1265 0.825,1266 1.599,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.704,1272 1.429,1273 0.916,1274 0.856,1275 1.175,1276 1.162,1277 0.279,1278 1.186,1279 4.263,1281 5.572,1283 7.064,1285 8.635,1287 10.247,1289 1.129,1295 4.124,1296 5.891,1297 5.457,1300 2.093,1305 36.728,1306 99.179,1307 213.12,1308 277.498,1309 307.008,1310 309.008,1311 309.008,1312 58.203,1313 7.658,1314 109.34,1315 117.72,1316 24,1317 12.496,1318 4.392,1319 3.585,1320 51.529,1321 135,1322 150,1323 0.18,1324 229.767,1325 394.14,1326 552.392,1327 21998,1329 22.391,1330 0.7,1331 0.584,1332 22.641,1333 18.677,1334 15.46,1335 0.442,1336 0.351,1337 10.388,1338 14.037,1339 9.999,1340 8.257,1341 16.387,1342 12.291,1343 14.484,1344 0.302,1345 0.192,1346 15.866,1347 9.239,1348 10.535,1349 0.185,1350 0.096,1351 10.985,1352 5.49,1353 9.128,1354 0.122,1355 0.053,1356 9.654,1357 3.954,1358 7.441,1359 0.078,1360 0.027,1361 7.809,1362 2.607,1363 0.281,1364 106.711,1365 0.206,1366 29.978,1367 0.496,1368 166,1369 515.313,1370 215.291,1371 514.59,1372 695.88,1373 478,1374 188,1375 484.317,1376 244.145,1377 520.405,1378 747.18,1379 486,1380 5}
{0 CHEMBL1644580,1 1.71,2 11.688,3 2.855,4 8.148,5 127.489,6 7.838,7 0.514,8 4.167,9 4.281,10 3.908,11 3.694,12 5.213,13 3.664,14 4.722,15 4.892,16 4.132,17 4.048,18 5.961,19 4.006,20 4.949,21 5.165,22 4.101,23 4.165,24 5.978,25 4.087,26 4.919,27 5.157,28 4.087,29 4.144,30 5.909,31 4.047,32 4.923,33 5.148,34 4.128,35 4.144,36 5.996,37 4.068,38 4.902,39 5.117,40 4.124,41 4.161,42 5.916,43 4.086,44 4.956,45 5.174,46 4.127,47 4.203,48 6.013,49 4.103,50 5.039,51 5.284,52 4.1,53 4.21,54 5.943,55 4.093,56 0.111,57 0.928,58 14.47,59 5.293,60 17.399,61 6.606,62 0.563,63 1.433,64 26.797,65 8.854,66 66.494,67 11.206,68 0.605,69 1.661,70 32.107,71 10.177,72 65.221,73 13.925,74 0.398,75 1.662,76 32.913,77 10.701,78 45.836,79 14.954,80 0.575,81 1.652,82 32.052,83 10.066,84 60.165,85 13.949,86 0.389,87 1.655,88 30.589,89 9.875,90 41.338,91 13.849,92 0.565,93 1.705,94 32.254,95 11.412,96 59.484,97 15.589,98 0.464,99 1.738,100 37.614,101 12.261,102 52.643,103 17.569,104 12,105 48,106 0.277,107 0.602,108 0.788,109 0.863,110 0.863,111 0.863,112 3.502,113 1.053,114 -3.32,115 -3.31,116 -3.17,119 37.9,121 1,124 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 4,175 5,178 3,180 4,183 7,186 1,187 4,192 3,195 5,199 9,202 2,204 3,207 2,211 2,212 10,215 2,217 4,220 2,224 7,229 1,232 2,236 3,237 10,240 3,241 1,242 1,245 4,250 4,258 4,262 6,263 5,266 2,268 1,271 5,275 1978,276 21.532,277 21.532,278 21.532,279 21.532,280 21.532,281 19.072,282 25.04,283 13.058,284 22.156,285 17.397,286 17.397,287 17.397,288 17.397,289 17.397,290 13.617,291 33.829,292 6.332,293 18.414,294 4.148,295 2.143,296 0.999,297 0.53,298 0.53,299 0.53,300 4.2,304 1,305 1,306 801,307 3.674,311 442.01,318 1.77,319 33.777,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 374,332 4.645,333 4.311,334 6.461,335 4.087,336 3.147,337 4.443,338 0.86,339 10.216,340 2.955,341 4.369,342 3.183,343 6.313,344 3.959,345 3.018,346 4.039,347 0.8,348 9.71,349 2.844,350 4.017,351 2.874,352 6.033,353 3.66,354 2.714,355 3.56,356 0.4,357 8.713,358 2.546,359 3.897,360 2.737,361 5.366,362 3.515,363 2.529,364 3.444,366 7.029,367 2.494,368 3.648,369 2.578,370 5.321,371 3.326,372 2.38,373 2.902,375 6.913,376 2.245,377 3.468,378 2.296,379 5.144,380 3.082,381 2.128,382 2.752,384 6.338,385 2.023,386 2.966,387 2.257,388 4.448,389 2.673,390 1.773,391 2.113,393 4.468,394 1.594,395 2.919,396 1.666,397 4.178,398 2.502,399 1.544,400 2.037,402 3.669,403 1.474,404 2.8,405 1.542,406 3.676,407 2.35,408 1.385,409 1.894,411 3.221,412 1.333,413 2.554,414 1.344,415 3.498,416 2.099,417 1.15,418 1.579,420 2.639,421 1.089,422 2.5,423 1.256,424 3.479,425 1.964,426 1,427 1.5,428 2.485,429 0.961,430 2.229,431 1.15,432 3.319,433 1.952,434 1,435 1.202,436 2.258,437 0.948,438 2.179,439 1.034,440 3.247,441 1.951,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.908,451 1,452 1,454 2.136,455 0.901,456 1.22,457 0.733,458 3.092,459 0.95,465 15.233,466 0.476,467 0.798,468 0.025,469 44,470 1.375,471 22.5,472 0.703,473 21.5,474 0.672,475 25.805,476 0.806,477 35.167,478 0.606,479 34.323,480 1.073,481 8.505,482 0.266,483 6.955,484 0.217,485 0.077,486 0.055,487 0.223,493 0.693,494 1.542,495 0.817,496 1.31,497 0.687,498 1.013,499 0.932,500 1.088,501 1.094,502 1.086,503 0.568,504 0.975,505 1.267,506 1.033,507 0.944,508 0.822,509 1.217,510 0.969,511 0.716,512 1.1,513 0.911,514 0.995,515 0.572,516 0.99,517 0.954,518 0.979,519 0.91,520 0.865,521 0.957,522 0.937,523 0.942,524 1.166,525 0.933,526 1.007,527 0.775,528 1.037,529 0.694,530 0.991,531 0.929,532 1.023,533 0.625,534 1.111,535 0.787,536 1.061,537 0.811,538 1.002,539 0.69,540 1.029,541 7,542 0.17,543 2.222,544 1.563,545 1.298,546 1.146,547 0.63,548 0.3,549 0.468,550 0.319,551 14215,552 41394,553 2.093,554 44.8,556 20,558 2,559 2,561 2,564 1.75,565 1.99,566 3.509,567 0.27,569 1,573 99.179,574 1.71,575 3.715,576 4.859,577 5.328,578 5.328,579 5.328,580 2.951,581 4.414,582 4.967,583 3.71,584 1840.37,585 8.723,586 27470.1,588 1,591 339.763,592 1.355,593 4.94,594 0.2,595 0.005,596 0.046,597 0.035,598 0.029,599 0.025,600 0.014,601 0.007,602 0.011,603 0.008,604 0.379,605 0.33,606 0.88,607 0.789,608 168.29,609 0.045,610 -0.288,611 0.201,612 -0.136,613 -0.134,614 -0.012,615 0.135,616 0.047,617 -0.096,618 -0.056,619 0.291,620 -0.029,621 -0.22,622 -0.017,623 -0.101,624 0.061,625 -0.202,626 -0.03,627 -0.012,628 -0.063,629 0.01,630 -0.04,631 0.029,632 -0.006,633 -0.039,634 0.068,635 -0.025,636 0.042,637 -0.06,638 0.009,639 -0.131,640 -0.102,641 -0.071,642 -0.079,643 -0.058,644 -0.076,645 0.104,646 0.046,647 -0.071,648 -0.087,649 0.078,650 -0.135,651 -0.01,652 -0.121,653 0.071,654 -0.058,655 -0.017,656 -0.018,657 4.287,658 4.629,659 0.75,660 36.551,661 1.009,662 1.133,663 2.094,664 4.387,665 0.667,666 3.584,667 3.892,668 4.06,669 4.331,670 4.564,671 4.605,672 4.787,673 4.905,674 5.043,675 5.124,676 7.235,677 0.633,678 454.61,679 3.584,680 5.118,681 5.932,682 6.801,683 7.633,684 8.507,685 9.349,686 10.225,687 11.074,688 11.952,689 10.3,694 2,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,731 58,733 20,734 1,735 35,737 61,738 22,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 7,766 2,769 1,771 2,778 1,781 26,782 9,783 2,784 10,785 1,790 6,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 32,852 1,854 6,855 2,856 1,859 1,870 5.2,873 2,874 1,877 16.083,878 10.467,879 6.931,880 3.312,881 3.097,882 1.404,883 0.991,884 7.203,885 10.756,886 3.85,887 4.437,888 4.85,889 5.426,890 5.965,891 6.146,892 6.577,893 6.929,894 7.281,895 7.572,896 0.875,897 45,898 11.989,900 5.196,901 7.794,902 22.657,904 18.48,905 2.294,906 73.417,909 1,910 282.506,911 131.574,912 87.897,914 55.313,916 5.807,917 125.767,918 337.819,919 87.897,920 7.19,921 18.036,922 72.141,923 163.627,924 33.104,925 4.227,926 258.964,928 282.506,929 213.664,930 55.313,931 5.807,933 258.964,934 67.855,935 11,937 40.787,938 88.104,939 90.58,941 282.506,942 143.209,943 131.574,945 5.807,946 282.506,947 34.148,948 94.743,949 34.416,950 105.669,951 282.506,952 143.209,953 131.574,955 0.576,956 0.302,957 0.168,958 0.095,959 22,960 9,961 0.131,962 8,964 1,965 4.355,966 286.537,968 24,969 154,973 1,974 22.466,975 10.26,976 6.634,978 143.209,979 16.64,980 13.632,984 4.469,986 34.416,987 557.29,988 46,991 -3.37,993 23.257,999 58.505,1000 65.69,1001 0.292,1002 0.634,1003 0.83,1004 0.909,1005 0.909,1006 0.909,1007 5.078,1008 1.544,1009 5.922,1010 4.468,1011 4.575,1012 5.124,1013 1.324,1014 6.696,1015 4.467,1016 6.286,1017 1.385,1018 7.452,1019 3.669,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.025,1025 7.605,1026 1.15,1027 9.087,1028 3.221,1029 6.176,1030 7.351,1031 0.958,1032 10.638,1033 5.962,1034 8.963,1035 1,1036 10.785,1037 2.639,1038 6.594,1039 8.097,1040 0.268,1041 12.402,1042 6.302,1043 10.355,1044 1,1045 12.522,1046 2.485,1047 8.063,1048 9.899,1049 0.736,1050 14.919,1051 7.734,1052 11.77,1053 1,1054 14.286,1055 2.258,1056 8.844,1057 11.002,1058 0.188,1059 16.989,1060 8.436,1061 13.204,1062 1,1063 16.068,1064 2.136,1065 10.103,1066 12.613,1067 0.57,1068 19.358,1069 9.652,1070 3.147,1072 17.863,1073 2.136,1074 11.059,1075 13.892,1076 0.125,1077 21.556,1078 10.532,1079 3.018,1080 10.216,1081 19.668,1083 12.231,1084 15.421,1085 0.439,1086 23.876,1087 11.652,1088 2.714,1089 9.71,1090 21.481,1091 4.443,1092 13.272,1093 16.79,1094 0.082,1095 26.13,1096 12.621,1097 2.529,1098 8.713,1099 23.3,1100 4.039,1101 14.409,1102 18.283,1103 0.334,1104 28.434,1105 13.702,1106 2.38,1107 7.029,1108 25.124,1109 3.56,1110 15.493,1111 19.701,1112 0.054,1113 30.713,1114 14.715,1115 2.128,1116 6.913,1117 26.952,1118 3.444,1119 16.618,1120 21.181,1121 0.252,1122 33.014,1123 15.781,1124 1.773,1125 6.338,1126 28.783,1127 2.902,1128 17.723,1129 22.625,1130 0.035,1131 35.306,1132 16.818,1133 13584,1134 23368,1135 23.633,1136 38.659,1137 51.581,1138 53.279,1139 51.359,1140 51.583,1141 51.534,1142 67.217,1143 4.12,1144 143.856,1145 48.708,1146 5.645,1147 6.311,1148 6.263,1149 5.19,1150 5.147,1151 7.443,1152 1.72,1153 16.778,1154 4.955,1155 13.37,1156 1.474,1157 1.522,1158 1.467,1159 1.474,1160 1.472,1161 1.92,1162 0.118,1163 4.11,1164 1.392,1165 4.054,1166 4.075,1167 4.716,1168 3.99,1169 7.718,1170 3.945,1171 3.924,1172 3.943,1173 3.956,1174 3.832,1175 6.999,1176 3.795,1177 3.873,1178 3.904,1179 3.815,1180 3.785,1181 5.005,1182 3.734,1183 3.768,1184 3.787,1185 3.717,1186 3.615,1187 4.891,1188 3.615,1189 3.637,1190 3.684,1191 3.545,1192 3.455,1193 4.695,1194 3.465,1195 3.388,1196 3.462,1197 3.249,1198 3.214,1199 4.595,1200 3.21,1201 3.111,1202 3.206,1203 2.868,1204 2.941,1205 4.2,1206 2.91,1207 2.951,1208 3.015,1209 2.866,1210 2.793,1211 3.933,1212 2.799,1213 0.133,1214 0.123,1215 0.185,1216 0.117,1217 0.09,1218 4.645,1219 0.127,1220 4.311,1221 0.025,1222 6.461,1223 0.292,1224 4.087,1225 0.084,1226 3.147,1227 4.443,1228 0.86,1229 10.216,1230 2.955,1231 1.96,1232 1.939,1233 2.037,1234 2.082,1235 1.21,1236 2.078,1237 1.868,1238 1.829,1239 1.999,1240 1.994,1241 1.19,1242 2.005,1243 1.764,1244 1.747,1245 1.92,1246 1.966,1247 1.139,1248 1.969,1249 1.663,1250 1.656,1251 1.756,1252 1.839,1253 0.945,1254 1.871,1255 1.576,1256 1.53,1257 1.616,1258 1.749,1259 0.825,1260 1.772,1261 1.37,1262 1.301,1263 1.586,1264 1.578,1265 0.82,1266 1.59,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.691,1272 1.429,1273 0.916,1274 0.856,1275 1.175,1276 1.162,1277 0.276,1278 1.186,1279 4.263,1281 5.572,1283 7.064,1285 8.635,1287 10.247,1289 1.13,1295 4.201,1296 5.904,1297 5.458,1300 2.095,1305 36.728,1306 99.179,1307 215.469,1308 281.847,1309 309.008,1310 309.008,1311 309.008,1312 58.114,1313 7.658,1314 109.34,1315 117.72,1316 24,1317 12.496,1318 4.392,1319 3.585,1320 51.529,1321 135,1322 150,1323 0.18,1324 229.767,1325 394.14,1326 552.392,1327 21998,1329 22.391,1330 0.7,1331 0.584,1332 22.641,1333 18.677,1334 15.46,1335 0.442,1336 0.351,1337 10.377,1338 14.034,1339 9.983,1340 8.25,1341 16.387,1342 12.281,1343 14.484,1344 0.302,1345 0.193,1346 15.866,1347 9.279,1348 10.535,1349 0.185,1350 0.097,1351 10.985,1352 5.519,1353 9.128,1354 0.122,1355 0.053,1356 9.654,1357 3.97,1358 7.441,1359 0.078,1360 0.027,1361 7.809,1362 2.607,1363 0.281,1364 106.757,1365 0.206,1366 29.978,1367 0.496,1368 166,1369 515.313,1370 214.958,1371 514.879,1372 695.04,1373 478,1374 188,1375 481.965,1376 243.979,1377 519.212,1378 744.64,1379 484,1380 5}
{0 CHEMBL1644581,1 1.71,2 11.688,3 2.855,4 8.148,5 127.489,6 7.838,7 0.514,8 4.167,9 4.281,10 3.908,11 3.694,12 5.213,13 3.664,14 4.722,15 4.892,16 4.132,17 4.048,18 5.962,19 4.006,20 4.949,21 5.166,22 4.098,23 4.168,24 5.975,25 4.09,26 4.916,27 5.15,28 4.087,29 4.155,30 5.903,31 4.054,32 4.942,33 5.173,34 4.128,35 4.149,36 6.001,37 4.071,38 4.905,39 5.121,40 4.125,41 4.158,42 5.924,43 4.084,44 4.949,45 5.164,46 4.124,47 4.205,48 6.002,49 4.104,50 5.039,51 5.283,52 4.102,53 4.216,54 5.951,55 4.097,56 0.111,57 0.928,58 14.47,59 5.293,60 17.399,61 6.606,62 0.563,63 1.433,64 26.797,65 8.854,66 66.733,67 11.206,68 0.613,69 1.659,70 32.143,71 10.191,72 65.312,73 13.925,74 0.366,75 1.661,76 32.504,77 10.965,78 43.507,79 15.222,80 0.568,81 1.668,82 32.994,83 10.226,84 61.123,85 14.301,86 0.428,87 1.66,88 30.806,89 9.793,90 43.199,91 13.728,92 0.539,93 1.695,94 31.845,95 11.343,96 57.636,97 15.483,98 0.48,99 1.742,100 37.516,101 12.36,102 53.985,103 17.627,104 12,105 48,106 0.277,107 0.602,108 0.776,109 0.841,110 0.841,111 0.841,112 3.502,113 1.053,114 -3.32,115 -3.31,116 -3.17,119 37.9,121 1,124 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 4,175 5,178 3,180 4,183 8,186 1,187 3,192 3,195 4,199 10,202 2,204 4,207 2,211 2,212 10,215 1,217 3,220 2,224 8,227 1,229 1,232 3,236 2,237 8,240 3,241 1,242 1,245 3,249 1,250 7,258 5,262 4,263 2,266 2,268 1,271 6,275 1978,276 21.532,277 21.532,278 21.532,279 21.532,280 21.532,281 19.072,282 25.04,283 13.058,284 22.165,285 17.397,286 17.397,287 17.397,288 17.397,289 17.397,290 13.617,291 33.829,292 6.332,293 18.419,294 4.148,295 2.143,296 1.068,297 0.668,298 0.668,299 0.668,300 4.2,304 1,305 1,306 801,307 3.674,311 442.01,318 1.77,319 33.523,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 374,332 4.645,333 4.311,334 6.461,335 4.087,336 3.147,337 4.443,338 0.86,339 10.216,340 2.955,341 4.369,342 3.183,343 6.313,344 3.959,345 3.018,346 4.039,347 0.8,348 9.71,349 2.844,350 4.017,351 2.874,352 6.033,353 3.66,354 2.714,355 3.56,356 0.4,357 8.713,358 2.547,359 3.897,360 2.737,361 5.366,362 3.519,363 2.529,364 3.444,366 7.029,367 2.503,368 3.648,369 2.578,370 5.321,371 3.326,372 2.38,373 2.902,375 6.913,376 2.245,377 3.468,378 2.296,379 5.144,380 3.082,381 2.128,382 2.752,384 6.338,385 2.023,386 2.966,387 2.257,388 4.448,389 2.673,390 1.773,391 2.113,393 4.468,394 1.592,395 2.919,396 1.666,397 4.178,398 2.484,399 1.544,400 2.037,402 3.669,403 1.446,404 2.8,405 1.542,406 3.676,407 2.348,408 1.385,409 1.894,411 3.221,412 1.331,413 2.554,414 1.344,415 3.498,416 2.097,417 1.15,418 1.579,420 2.639,421 1.087,422 2.5,423 1.256,424 3.479,425 1.984,426 1,427 1.5,428 2.485,429 0.983,430 2.229,431 1.15,432 3.319,433 1.953,434 1,435 1.202,436 2.258,437 0.95,438 2.179,439 1.034,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.908,451 1,452 1,454 2.136,455 0.9,456 1.22,457 0.733,458 3.092,459 0.949,465 15.233,466 0.476,467 0.798,468 0.025,469 44,470 1.375,471 22.5,472 0.703,473 21.5,474 0.672,475 25.82,476 0.807,477 35.167,478 0.606,479 34.308,480 1.072,481 8.505,482 0.266,483 6.955,484 0.217,485 0.077,486 0.055,487 0.223,493 0.693,494 1.542,495 0.817,496 1.31,497 0.687,498 1.013,499 0.932,500 1.088,501 1.094,502 1.086,503 0.566,504 0.975,505 1.274,506 0.999,507 0.947,508 0.805,509 1.22,510 0.958,511 0.668,512 1.143,513 0.909,514 1.046,515 0.551,516 1.034,517 0.952,518 1.005,519 0.891,520 0.856,521 0.941,522 0.92,523 0.956,524 1.096,525 0.941,526 0.971,527 0.784,528 1.014,529 0.708,530 1.022,531 0.936,532 1.035,533 0.637,534 1.12,535 0.771,536 1.03,537 0.819,538 1.006,539 0.686,540 1.04,541 7,542 0.17,543 2.222,544 1.563,545 1.298,546 1.146,547 0.63,548 0.3,549 0.468,550 0.319,551 14215,552 41586,553 2.093,554 44.8,556 20,558 2,559 2,561 2,564 1.75,565 1.99,566 3.509,567 0.27,569 1,573 99.179,574 1.71,575 3.715,576 4.79,577 5.19,578 5.19,579 5.19,580 2.951,581 4.414,582 4.967,583 3.71,584 1840.37,585 8.723,586 27470.1,588 1,591 339.763,592 1.355,593 4.94,594 0.2,595 0.005,596 0.046,597 0.035,598 0.029,599 0.025,600 0.014,601 0.007,602 0.011,603 0.008,604 0.379,605 0.33,606 0.88,607 0.789,608 168.29,609 0.045,610 -0.288,611 0.201,612 -0.136,613 -0.134,614 -0.012,615 0.135,616 0.047,617 -0.096,618 -0.056,619 0.293,620 -0.029,621 -0.227,622 0.017,623 -0.105,624 0.079,625 -0.205,626 -0.019,627 0.009,628 -0.11,629 0.004,630 -0.078,631 0.037,632 -0.039,633 -0.047,634 0.028,635 -0.002,636 0.049,637 -0.056,638 0.031,639 -0.128,640 -0.026,641 -0.075,642 -0.052,643 -0.061,644 -0.061,645 0.084,646 0.017,647 -0.081,648 -0.095,649 0.067,650 -0.142,651 0.005,652 -0.086,653 0.061,654 -0.061,655 -0.013,656 -0.029,657 4.286,658 4.629,659 0.75,660 36.551,661 1.009,662 1.133,663 2.094,664 4.387,665 0.667,666 3.584,667 3.892,668 4.06,669 4.331,670 4.564,671 4.605,672 4.787,673 4.905,674 5.043,675 5.124,676 7.235,677 0.633,678 454.61,679 3.584,680 5.118,681 5.932,682 6.801,683 7.633,684 8.507,685 9.349,686 10.225,687 11.074,688 11.952,689 10.3,694 2,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,731 58,733 20,734 1,735 35,737 61,738 22,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 7,766 2,769 1,771 2,778 1,781 26,782 9,783 2,784 10,785 1,790 6,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 32,852 1,854 6,855 2,856 1,859 1,870 5.2,873 2,874 1,877 16.083,878 10.467,879 6.931,880 3.312,881 3.097,882 1.404,883 0.991,884 7.203,885 10.756,886 3.85,887 4.437,888 4.85,889 5.426,890 5.965,891 6.146,892 6.577,893 6.929,894 7.281,895 7.572,896 0.875,897 45,898 11.988,900 5.194,901 7.794,902 22.657,904 18.48,905 2.294,906 73.417,909 1,910 282.506,911 131.574,912 87.897,914 55.313,916 5.807,917 125.767,918 337.819,919 87.897,920 7.19,921 18.036,922 72.141,923 163.627,924 33.104,925 4.227,926 258.964,928 282.506,929 213.664,930 55.313,931 5.807,933 258.964,934 67.855,935 11,937 40.787,938 88.104,939 90.58,941 282.506,942 143.209,943 131.574,945 5.807,946 282.506,947 34.148,948 94.743,949 34.416,950 105.669,951 282.506,952 143.209,953 131.574,955 0.576,956 0.302,957 0.168,958 0.095,959 22,960 9,961 0.131,962 8,964 1,965 4.355,966 286.537,968 24,969 150,973 1,974 22.466,975 10.26,976 6.634,978 143.209,979 16.624,980 13.535,984 4.53,986 34.416,987 557.29,988 46,991 -3.37,993 23.259,999 58.505,1000 65.69,1001 0.292,1002 0.634,1003 0.818,1004 0.886,1005 0.886,1006 0.886,1007 5.078,1008 1.544,1009 5.922,1010 4.468,1011 4.575,1012 5.124,1013 1.324,1014 6.696,1015 4.467,1016 6.286,1017 1.385,1018 7.452,1019 3.669,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.025,1025 7.605,1026 1.15,1027 9.087,1028 3.221,1029 6.176,1030 7.351,1031 0.958,1032 10.638,1033 5.963,1034 8.963,1035 1,1036 10.785,1037 2.639,1038 6.594,1039 8.097,1040 0.268,1041 12.402,1042 6.304,1043 10.355,1044 1,1045 12.522,1046 2.485,1047 8.063,1048 9.899,1049 0.736,1050 14.919,1051 7.737,1052 11.77,1053 1,1054 14.286,1055 2.258,1056 8.844,1057 11.002,1058 0.188,1059 16.989,1060 8.439,1061 13.204,1062 1,1063 16.068,1064 2.136,1065 10.103,1066 12.613,1067 0.57,1068 19.358,1069 9.655,1070 3.147,1072 17.863,1073 2.136,1074 11.059,1075 13.892,1076 0.125,1077 21.556,1078 10.535,1079 3.018,1080 10.216,1081 19.668,1083 12.231,1084 15.421,1085 0.439,1086 23.876,1087 11.656,1088 2.714,1089 9.71,1090 21.481,1091 4.443,1092 13.272,1093 16.79,1094 0.082,1095 26.13,1096 12.624,1097 2.529,1098 8.713,1099 23.3,1100 4.039,1101 14.409,1102 18.283,1103 0.334,1104 28.434,1105 13.705,1106 2.38,1107 7.029,1108 25.124,1109 3.56,1110 15.493,1111 19.701,1112 0.054,1113 30.713,1114 14.718,1115 2.128,1116 6.913,1117 26.952,1118 3.444,1119 16.618,1120 21.181,1121 0.252,1122 33.014,1123 15.784,1124 1.773,1125 6.338,1126 28.783,1127 2.902,1128 17.723,1129 22.625,1130 0.035,1131 35.306,1132 16.821,1133 13584,1134 23420,1135 23.633,1136 38.659,1137 51.581,1138 53.279,1139 51.359,1140 51.588,1141 51.534,1142 67.217,1143 4.12,1144 143.856,1145 48.704,1146 5.645,1147 6.311,1148 6.263,1149 5.19,1150 5.147,1151 7.443,1152 1.72,1153 16.778,1154 4.955,1155 13.37,1156 1.474,1157 1.522,1158 1.467,1159 1.474,1160 1.472,1161 1.92,1162 0.118,1163 4.11,1164 1.392,1165 4.054,1166 4.075,1167 4.716,1168 3.99,1169 7.718,1170 3.945,1171 3.925,1172 3.943,1173 3.956,1174 3.833,1175 6.999,1176 3.798,1177 3.874,1178 3.904,1179 3.816,1180 3.788,1181 5.005,1182 3.734,1183 3.768,1184 3.787,1185 3.717,1186 3.614,1187 4.894,1188 3.615,1189 3.636,1190 3.683,1191 3.545,1192 3.454,1193 4.695,1194 3.464,1195 3.38,1196 3.457,1197 3.243,1198 3.189,1199 4.595,1200 3.189,1201 3.111,1202 3.206,1203 2.868,1204 2.941,1205 4.207,1206 2.91,1207 2.951,1208 3.014,1209 2.866,1210 2.778,1211 3.936,1212 2.789,1213 0.133,1214 0.123,1215 0.185,1216 0.117,1217 0.09,1218 4.645,1219 0.127,1220 4.311,1221 0.025,1222 6.461,1223 0.292,1224 4.087,1225 0.084,1226 3.147,1227 4.443,1228 0.86,1229 10.216,1230 2.955,1231 1.96,1232 1.939,1233 2.038,1234 2.082,1235 1.213,1236 2.078,1237 1.87,1238 1.833,1239 2.002,1240 1.994,1241 1.194,1242 2.006,1243 1.764,1244 1.747,1245 1.92,1246 1.966,1247 1.14,1248 1.969,1249 1.663,1250 1.656,1251 1.751,1252 1.839,1253 0.945,1254 1.871,1255 1.574,1256 1.529,1257 1.612,1258 1.748,1259 0.825,1260 1.77,1261 1.354,1262 1.28,1263 1.578,1264 1.574,1265 0.811,1266 1.583,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.68,1272 1.429,1273 0.906,1274 0.841,1275 1.181,1276 1.161,1277 0.268,1278 1.186,1279 4.263,1281 5.572,1283 7.064,1285 8.635,1287 10.247,1289 1.131,1295 4.241,1296 5.912,1297 5.459,1300 2.097,1305 36.728,1306 99.179,1307 215.469,1308 277.847,1309 301.008,1310 301.008,1311 301.008,1312 57.887,1313 7.658,1314 109.34,1315 117.72,1316 24,1317 12.496,1318 4.392,1319 3.585,1320 51.529,1321 135,1322 150,1323 0.18,1324 229.767,1325 394.14,1326 552.392,1327 21998,1329 22.391,1330 0.7,1331 0.584,1332 22.641,1333 18.677,1334 15.46,1335 0.442,1336 0.351,1337 10.377,1338 14.03,1339 9.984,1340 8.248,1341 16.387,1342 12.281,1343 14.484,1344 0.302,1345 0.193,1346 15.866,1347 9.274,1348 10.535,1349 0.185,1350 0.097,1351 10.985,1352 5.545,1353 9.128,1354 0.122,1355 0.053,1356 9.654,1357 3.973,1358 7.441,1359 0.078,1360 0.027,1361 7.809,1362 2.605,1363 0.281,1364 106.757,1365 0.206,1366 29.978,1367 0.496,1368 166,1369 515.313,1370 214.958,1371 514.747,1372 695,1373 478,1374 188,1375 481.965,1376 243.812,1377 518.917,1378 744.24,1379 484,1380 5}
{0 CHEMBL1644582,1 1.543,2 10.667,3 3.257,4 10.607,5 118.091,6 7.576,7 0.647,8 4.095,9 4.225,10 3.693,11 3.608,12 5.17,13 3.605,14 4.632,15 4.811,16 4.021,17 3.991,18 5.661,19 3.966,20 4.842,21 5.07,22 4.015,23 4.099,24 5.767,25 4.034,26 4.828,27 5.065,28 3.971,29 4.064,30 5.775,31 3.987,32 4.818,33 5.063,34 3.97,35 4.03,36 5.784,37 3.962,38 4.769,39 4.991,40 3.982,41 4.038,42 5.711,43 3.98,44 4.842,45 5.07,46 4.003,47 4.095,48 5.78,49 4.018,50 4.935,51 5.178,52 3.913,53 4.157,54 5.764,55 4.037,56 0.052,57 0.866,58 10.654,59 4.319,60 8.637,61 5.825,62 0.296,63 1.366,64 20.664,65 7.112,66 24.523,67 9.745,68 0.363,69 1.571,70 27.575,71 8.801,72 30.179,73 12.854,74 0.305,75 1.573,76 26.959,77 8.739,78 33.111,79 13.015,80 0.429,81 1.534,82 27.354,83 8.226,84 40.423,85 12.466,86 0.247,87 1.509,88 24.828,89 7.949,90 26.356,91 11.742,92 0.428,93 1.585,94 27.156,95 9.18,96 32.718,97 13.238,98 0.292,99 1.616,100 30.783,101 11.438,102 31.531,103 16.348,105 46,106 0.253,107 0.61,108 0.776,109 0.86,110 0.867,111 0.867,112 3.441,113 0.895,114 -3.87,115 -3.83,116 -3.63,119 41.5,121 1,125 5,142 7,143 2,145 2,146 2,147 1,150 1,152 1,168 1,172 6,174 3,175 7,178 1,180 4,183 7,186 1,187 5,192 2,195 5,199 7,202 3,204 3,207 3,211 3,212 6,215 1,217 4,220 1,223 1,224 6,229 2,232 2,236 2,237 5,240 4,241 1,242 1,245 3,249 2,250 6,258 3,263 7,268 1,271 4,275 1522,276 21.137,277 21.137,278 21.137,279 21.137,280 21.137,281 18.62,282 20.167,283 12.894,284 21.718,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.094,291 30.354,292 6.189,293 17.802,294 4.185,295 2.013,296 1.003,297 0.491,298 0.453,299 0.453,300 4.158,304 1,305 1,306 718,307 2.646,310 63.731,311 370.582,314 118.454,318 1.533,319 20.097,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 320,332 4.588,333 3.219,334 6.706,335 4.142,336 3.163,337 4.516,338 0.86,339 10.903,340 3.103,341 4.228,342 3.063,343 6.2,344 3.816,345 2.89,346 3.873,347 0.8,348 9.302,349 2.674,350 3.897,351 2.748,352 5.757,353 3.497,354 2.535,355 3.444,356 0.4,357 7.814,358 2.441,359 3.74,360 2.64,361 5.349,362 3.431,363 2.48,364 3.083,366 6.979,367 2.348,368 3.539,369 2.308,370 5.271,371 3.166,372 2.22,373 2.801,375 6.661,376 2.093,377 3.049,378 2.257,379 4.594,380 2.682,381 1.779,382 2.322,384 4.612,385 1.609,386 2.996,387 1.669,388 4.359,389 2.536,390 1.55,391 2.151,393 4.088,394 1.528,395 2.925,396 1.552,397 3.995,398 2.525,399 1.546,400 2.09,402 3.503,403 1.507,404 2.822,405 1.542,406 3.676,407 2.377,408 1.424,409 1.898,411 3.222,412 1.351,413 2.5,414 1.304,415 3.493,416 2.003,417 1.088,418 1.5,420 2.619,421 0.995,422 2.5,423 1.256,424 3.405,425 1.97,426 1,427 1.5,428 2.264,429 0.968,430 2.237,431 1.14,432 3.32,433 1.958,434 1,435 1.215,436 2.231,437 0.955,438 2.18,439 1,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.915,451 1,452 1,454 2.136,455 0.907,456 1.956,457 0.474,458 3.157,459 1.442,460 0.472,461 0.697,463 1.219,464 0.457,465 14.133,466 0.471,467 0.479,468 0.016,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.919,476 0.764,477 31.467,478 0.594,479 29.963,480 0.999,481 8.296,482 0.277,483 6.569,484 0.219,487 0.276,493 0.894,494 1.378,495 0.757,496 1.103,497 0.779,498 0.94,499 1.263,500 1.081,501 0.967,502 0.964,503 1.03,504 0.937,505 1.17,506 1.062,507 1.002,508 0.917,509 1.104,510 0.931,511 0.865,512 1.122,513 1.004,514 1.052,515 1.088,516 1.039,517 0.928,518 0.994,519 0.97,520 0.893,521 1.05,522 0.916,523 1.042,524 1.202,525 1.022,526 1.059,527 0.93,528 1.029,529 0.834,530 0.928,531 1.042,532 1.038,533 0.826,534 1.06,535 0.798,536 1.002,537 1.025,538 1.147,539 0.841,540 1.131,541 4,542 0.068,543 2.444,544 1.25,545 0.879,546 0.924,547 0.419,548 0.24,549 0.269,550 0.172,551 12563,552 31149,553 2.228,554 43.4,556 17,558 2,559 2,560 2,564 1.734,565 2.195,566 3.377,567 0.243,569 1,573 81.779,574 1.543,575 3.715,576 4.725,577 5.237,578 5.275,579 5.275,580 2.698,581 4.24,582 4.876,583 3.565,584 1550.99,585 8.538,586 21739,588 1,590 1,591 303.58,592 0.837,593 4.881,594 0.118,595 0.002,596 0.053,597 0.028,598 0.021,599 0.022,600 0.01,601 0.006,602 0.007,603 0.005,604 0.271,605 0.33,606 0.88,608 153.374,609 0.008,610 -0.183,611 0.076,612 -0.079,613 0.046,614 -0.006,615 -0.066,616 0.031,617 -0.044,618 0.008,619 -0.016,620 -0.018,621 -0.131,622 -0.039,623 -0.035,624 0.054,625 -0.123,626 0.027,627 -0.015,628 -0.085,629 -0.048,630 -0.092,631 -0.082,632 -0.078,633 0.046,634 0.041,635 0.011,636 0.045,637 0.006,638 0.03,639 -0.117,640 -0.136,641 -0.078,642 -0.102,643 -0.057,644 -0.083,645 0.112,646 0.117,647 -0.089,648 -0.072,649 0.066,650 -0.105,651 0.013,652 -0.065,653 -0.062,654 -0.115,655 -0.004,656 -0.104,657 0.948,658 1.995,659 0.9,660 29.8,661 1.002,662 1.132,663 2.638,664 6.959,665 0.671,666 3.555,667 3.85,668 4.143,669 4.431,670 4.654,671 4.718,672 4.913,673 5.063,674 5.17,675 5.283,676 6.654,677 0.643,678 401.52,679 3.555,680 5.081,681 5.932,682 6.801,683 7.668,684 8.546,685 9.421,686 10.305,687 11.186,688 12.073,689 13.2,694 1,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,724 1,726 1,731 53,733 22,734 1,735 34,737 57,738 22,739 16,740 3,741 3,746 5,747 6,758 1,761 16,762 6,778 1,781 23,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.417,879 6.611,880 3.218,881 3.8,882 1.484,883 1.029,884 5.555,885 11.651,886 3.829,887 4.422,888 5.041,889 5.663,890 6.19,891 6.484,892 6.954,893 7.382,894 7.667,895 8.051,896 0.857,897 45,898 11.054,900 4.67,901 7.539,902 21.501,904 17.708,905 2.039,906 61.167,909 1,910 247.193,911 120.108,912 104.818,914 11,917 120.108,918 258.193,919 104.818,921 18.036,922 66.334,923 119.572,924 49.154,925 6.371,926 223.651,928 247.193,929 224.926,930 11,933 247.193,935 11,937 60.207,938 79.689,939 85.03,941 247.193,942 115.818,943 120.108,946 247.193,947 35.68,948 87.553,949 34.674,950 78.019,951 247.193,952 115.818,953 120.108,955 0.568,956 0.333,957 0.19,958 0.101,959 23,960 8,961 0.105,962 6,963 1,964 1.074,965 4.287,966 274.889,967 0.074,968 27,969 143.207,974 18.981,975 8.78,976 4.304,977 2.034,978 99.155,979 17.737,980 18.251,981 3.032,984 4.482,986 34.674,987 483.119,988 45,999 53.109,1000 60.019,1001 0.269,1002 0.648,1003 0.825,1004 0.914,1005 0.921,1006 0.921,1007 5.04,1008 1.546,1009 5.878,1010 4.088,1011 4.533,1012 5.109,1013 1.324,1014 6.658,1015 4.434,1016 6.217,1017 1.424,1018 7.403,1019 3.503,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.757,1025 7.503,1026 1.088,1027 9.033,1028 3.222,1029 6.08,1030 7.309,1031 0.958,1032 10.616,1033 5.896,1034 8.83,1035 1,1036 10.73,1037 2.619,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.137,1043 10.195,1044 1,1045 12.472,1046 2.264,1047 7.92,1048 9.838,1049 0.736,1050 14.959,1051 7.666,1052 11.587,1053 1,1054 14.246,1055 2.231,1056 8.626,1057 10.866,1058 0.188,1059 17.047,1060 8.354,1061 13.001,1062 1,1063 16.042,1064 2.136,1065 9.933,1066 12.561,1067 0.57,1068 19.499,1069 9.625,1070 3.163,1071 0.472,1072 17.855,1073 2.136,1074 10.855,1075 13.822,1076 0.125,1077 21.745,1078 10.533,1079 2.89,1080 10.903,1081 19.681,1082 1.219,1083 12.049,1084 15.399,1085 0.439,1086 24.141,1087 11.699,1088 2.535,1089 9.302,1090 21.517,1091 4.516,1092 13.078,1093 16.779,1094 0.082,1095 26.458,1096 12.715,1097 2.48,1098 7.814,1099 23.362,1100 3.873,1101 14.228,1102 18.307,1103 0.334,1104 28.838,1105 13.843,1106 2.22,1107 6.979,1108 25.214,1109 3.444,1110 15.309,1111 19.746,1112 0.054,1113 31.187,1114 14.912,1115 1.779,1116 6.661,1117 27.071,1118 3.083,1119 16.443,1120 21.254,1121 0.252,1122 33.564,1123 16.029,1124 1.55,1125 4.612,1126 28.934,1127 2.801,1128 17.551,1129 22.723,1130 0.035,1131 35.929,1132 17.125,1133 11507,1134 18266,1135 24.038,1136 35.586,1137 50.611,1138 50.61,1139 50.374,1140 50.327,1141 50.295,1142 66.471,1143 4.12,1144 139.376,1145 47.765,1146 5.588,1147 5.219,1148 6.508,1149 5.245,1150 5.163,1151 7.516,1152 1.72,1153 18.126,1154 5.103,1156 1.489,1157 1.489,1158 1.482,1159 1.48,1160 1.479,1161 1.955,1162 0.121,1163 4.099,1164 1.405,1165 4.124,1166 4.164,1167 4.091,1168 4.024,1169 5.115,1170 4.035,1171 3.91,1172 3.964,1173 3.85,1174 3.786,1175 4.949,1176 3.791,1177 3.848,1178 3.9,1179 3.791,1180 3.662,1181 4.881,1182 3.691,1183 3.671,1184 3.727,1185 3.565,1186 3.471,1187 4.6,1188 3.485,1189 3.421,1190 3.497,1191 3.295,1192 3.252,1193 4.387,1194 3.248,1195 3.322,1196 3.39,1197 3.213,1198 3.149,1199 4.185,1200 3.158,1201 3.111,1202 3.206,1203 2.9,1204 2.941,1205 3.901,1206 2.91,1207 2.979,1208 3.034,1209 2.866,1210 2.838,1211 3.847,1212 2.847,1213 0.135,1214 0.095,1215 0.197,1216 0.122,1217 0.093,1218 4.588,1219 0.133,1220 3.219,1221 0.025,1222 6.706,1223 0.321,1224 4.142,1225 0.091,1226 3.163,1227 4.516,1228 0.86,1229 10.903,1230 3.103,1231 1.98,1232 1.957,1233 2.05,1234 2.086,1235 1.216,1236 2.073,1237 1.859,1238 1.818,1239 1.994,1240 1.992,1241 1.179,1242 1.996,1243 1.752,1244 1.699,1245 1.922,1246 1.961,1247 1.163,1248 1.953,1249 1.601,1250 1.547,1251 1.77,1252 1.816,1253 0.85,1254 1.804,1255 1.402,1256 1.335,1257 1.62,1258 1.646,1259 0.825,1260 1.629,1261 1.285,1262 1.207,1263 1.513,1264 1.564,1265 0.72,1266 1.549,1267 1.153,1268 1.064,1269 1.434,1270 1.376,1271 0.392,1272 1.429,1273 1.017,1274 0.96,1275 1.222,1276 1.187,1277 0.289,1278 1.208,1279 4.234,1281 5.533,1282 2.398,1283 7.036,1284 4.595,1285 8.631,1286 6.605,1287 10.276,1295 4.51,1296 3.452,1297 5.495,1300 2.173,1305 34.079,1306 81.779,1307 196.87,1308 250.419,1309 277.58,1310 279.58,1311 279.58,1312 35.457,1313 7.851,1314 91.85,1315 91.85,1316 29,1317 12.606,1318 4.524,1319 3.585,1320 41.334,1321 119,1322 132,1323 0.167,1324 207.117,1325 343.15,1326 497.126,1327 27971,1329 20.175,1330 0.673,1331 0.553,1332 20.175,1333 16.583,1334 14.865,1335 0.437,1336 0.298,1337 9.981,1338 14.22,1339 9.835,1340 8.083,1341 14.865,1342 10.147,1343 12.876,1344 0.28,1345 0.156,1346 12.876,1347 7.173,1348 11.129,1349 0.18,1350 0.084,1351 11.129,1352 5.182,1353 9.683,1354 0.117,1355 0.044,1356 9.683,1357 3.624,1358 7.831,1359 0.075,1360 0.023,1361 7.831,1362 2.4,1363 0.259,1364 93.446,1365 0.204,1366 28.255,1367 0.466,1368 160,1369 444.627,1370 176.172,1371 431.448,1372 607.21,1373 410,1374 188,1375 460.341,1376 205.006,1377 464.01,1378 680.04,1379 439,1380 5.886}
{0 CHEMBL1644583,1 1.543,2 10.667,3 3.115,4 9.702,5 118.668,6 7.576,7 0.647,8 4.095,9 4.225,10 3.693,11 3.608,12 5.172,13 3.605,14 4.631,15 4.812,16 4.018,17 3.995,18 5.656,19 3.969,20 4.839,21 5.062,22 4.015,23 4.11,24 5.76,25 4.041,26 4.849,27 5.092,28 3.971,29 4.069,30 5.781,31 3.99,32 4.821,33 5.068,34 3.971,35 4.027,36 5.793,37 3.961,38 4.76,39 4.978,40 3.979,41 4.04,42 5.697,43 3.982,44 4.843,45 5.069,46 4.005,47 4.101,48 5.789,49 4.022,50 4.94,51 5.184,52 3.909,53 4.161,54 5.755,55 4.04,56 0.052,57 0.866,58 10.654,59 4.319,60 8.971,61 5.825,62 0.305,63 1.365,64 20.694,65 7.123,66 24.494,67 9.739,68 0.331,69 1.57,70 27.205,71 9.058,72 28.317,73 13.121,74 0.291,75 1.59,76 27.827,77 8.913,78 33.324,79 13.389,80 0.473,81 1.538,82 27.564,83 8.141,84 42.329,85 12.341,86 0.219,87 1.499,88 24.44,89 7.878,90 24.363,91 11.625,92 0.449,93 1.59,94 27.086,95 9.27,96 34.477,97 13.288,98 0.246,99 1.617,100 30.965,101 11.457,102 29.739,103 16.461,105 46,106 0.253,107 0.614,108 0.787,109 0.867,110 0.867,111 0.867,112 3.441,113 0.894,114 -3.87,115 -3.83,116 -3.63,119 41.5,121 1,125 5,142 6,143 3,145 3,146 1,147 1,150 1,152 1,168 1,172 7,174 3,175 6,178 1,180 4,183 7,186 1,187 6,192 3,195 5,199 7,202 2,204 3,207 2,211 3,212 7,215 2,217 4,220 2,224 5,229 1,232 2,236 3,237 8,240 4,241 1,242 1,245 4,250 4,258 4,262 2,263 6,268 1,271 5,275 1522,276 21.137,277 21.137,278 21.137,279 21.137,280 21.137,281 18.62,282 20.167,283 12.894,284 21.716,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.094,291 30.354,292 6.189,293 17.791,294 4.185,295 1.987,296 0.939,297 0.453,298 0.453,299 0.453,300 4.158,304 1,305 1,306 718,307 2.646,310 63.731,311 370.582,314 118.454,318 1.533,319 19.834,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 320,332 4.588,333 3.219,334 6.706,335 4.142,336 3.163,337 4.516,338 0.86,339 10.903,340 3.103,341 4.228,342 3.063,343 6.2,344 3.816,345 2.89,346 3.873,347 0.8,348 9.302,349 2.674,350 3.897,351 2.748,352 5.757,353 3.516,354 2.535,355 3.444,356 0.4,357 7.814,358 2.494,359 3.74,360 2.64,361 5.349,362 3.433,363 2.48,364 3.083,366 6.979,367 2.349,368 3.539,369 2.308,370 5.271,371 3.166,372 2.22,373 2.801,375 6.661,376 2.094,377 3.049,378 2.257,379 4.594,380 2.681,381 1.779,382 2.322,384 4.612,385 1.603,386 2.996,387 1.669,388 4.359,389 2.536,390 1.55,391 2.151,393 4.088,394 1.528,395 2.925,396 1.552,397 3.995,398 2.503,399 1.546,400 2.09,402 3.503,403 1.475,404 2.822,405 1.542,406 3.676,407 2.375,408 1.424,409 1.898,411 3.222,412 1.349,413 2.5,414 1.304,415 3.493,416 2.003,417 1.088,418 1.5,420 2.619,421 0.995,422 2.5,423 1.256,424 3.405,425 1.97,426 1,427 1.5,428 2.264,429 0.968,430 2.237,431 1.14,432 3.32,433 1.956,434 1,435 1.215,436 2.231,437 0.953,438 2.18,439 1,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.916,451 1,452 1,454 2.136,455 0.908,456 1.956,457 0.474,458 3.157,459 1.442,460 0.472,461 0.697,463 1.219,464 0.457,465 14.133,466 0.471,467 0.479,468 0.016,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.941,476 0.765,477 31.467,478 0.594,479 29.94,480 0.998,481 8.291,482 0.276,483 6.574,484 0.219,487 0.276,493 0.894,494 1.378,495 0.757,496 1.103,497 0.766,498 0.94,499 1.277,500 1.035,501 0.973,502 0.936,503 1.043,504 0.922,505 1.096,506 1.108,507 0.999,508 0.982,509 1.029,510 0.98,511 0.873,512 1.146,513 0.981,514 1.04,515 1.08,516 1.018,517 0.95,518 0.92,519 0.98,520 0.848,521 1.081,522 0.892,523 1.067,524 1.24,525 1.031,526 1.076,527 0.966,528 1.04,529 0.807,530 0.89,531 1.056,532 1.043,533 0.81,534 1.075,535 0.831,536 1.062,537 1.019,538 1.157,539 0.84,540 1.129,541 4,542 0.068,543 2.444,544 1.25,545 0.879,546 0.924,547 0.419,548 0.24,549 0.269,550 0.172,551 12563,552 31321,553 2.228,554 43.4,556 16,558 3,559 2,561 2,564 1.734,565 2.195,566 3.377,567 0.243,569 1,573 81.779,574 1.543,575 3.741,576 4.789,577 5.275,578 5.275,579 5.275,580 2.698,581 4.24,582 4.876,583 3.565,584 1550.99,585 8.538,586 21739,588 1,590 1,591 303.58,592 0.837,593 4.881,594 0.118,595 0.002,596 0.053,597 0.028,598 0.021,599 0.022,600 0.01,601 0.006,602 0.007,603 0.005,604 0.271,605 0.33,606 0.88,608 153.374,609 0.008,610 -0.183,611 0.076,612 -0.079,613 0.059,614 -0.006,615 -0.08,616 0.077,617 -0.05,618 0.037,619 -0.031,620 -0.002,621 -0.101,622 -0.089,623 -0.043,624 0.004,625 -0.1,626 -0.011,627 -0.032,628 -0.124,629 -0.018,630 -0.079,631 -0.079,632 -0.051,633 0.053,634 0.121,635 0.005,636 0.081,638 0.047,639 -0.155,640 -0.172,641 -0.093,642 -0.114,643 -0.102,644 -0.093,645 0.138,646 0.159,647 -0.106,648 -0.076,649 0.082,650 -0.12,651 -0.036,652 -0.131,653 -0.056,654 -0.12,655 -0.021,656 -0.097,657 0.944,658 1.996,659 0.9,660 29.8,661 1.002,662 1.132,663 2.638,664 6.959,665 0.671,666 3.555,667 3.85,668 4.143,669 4.431,670 4.654,671 4.718,672 4.913,673 5.063,674 5.17,675 5.283,676 6.654,677 0.643,678 401.52,679 3.555,680 5.081,681 5.932,682 6.801,683 7.668,684 8.546,685 9.421,686 10.305,687 11.186,688 12.073,689 13.2,694 1,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,724 1,726 1,731 53,733 22,734 1,735 34,737 57,738 22,739 16,740 3,741 3,746 5,747 6,758 1,761 16,762 6,778 1,781 23,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.417,879 6.611,880 3.207,881 3.8,882 1.484,883 1.029,884 5.555,885 11.651,886 3.829,887 4.422,888 5.041,889 5.663,890 6.19,891 6.484,892 6.954,893 7.382,894 7.667,895 8.051,896 0.857,897 45,898 11.051,900 4.667,901 7.539,902 21.501,904 17.717,905 2.039,906 61.167,909 1,910 247.193,911 120.108,912 104.818,914 11,917 120.108,918 258.193,919 104.818,921 18.036,922 56.857,923 131.344,924 58.63,925 6.371,926 211.88,928 247.193,929 224.926,930 11,933 223.651,934 23.542,935 11,937 66.498,938 73.398,939 85.03,941 247.193,942 115.818,943 120.108,946 247.193,947 36.108,948 87.124,949 34.674,950 78.019,951 247.193,952 115.818,953 120.108,955 0.568,956 0.333,957 0.19,958 0.101,959 23,960 8,961 0.105,962 6,963 1,964 1.074,965 4.287,966 274.889,967 0.074,968 27,969 143.207,974 18.981,975 8.78,976 4.304,977 2.038,978 99.155,979 17.683,980 18.052,981 3.033,984 4.637,986 34.674,987 483.119,988 45,999 53.109,1000 60.019,1001 0.269,1002 0.653,1003 0.836,1004 0.921,1005 0.921,1006 0.921,1007 5.04,1008 1.546,1009 5.878,1010 4.088,1011 4.533,1012 5.109,1013 1.324,1014 6.658,1015 4.437,1016 6.217,1017 1.424,1018 7.403,1019 3.503,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.771,1025 7.503,1026 1.088,1027 9.033,1028 3.222,1029 6.08,1030 7.309,1031 0.958,1032 10.616,1033 5.905,1034 8.83,1035 1,1036 10.73,1037 2.619,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.155,1043 10.195,1044 1,1045 12.472,1046 2.264,1047 7.92,1048 9.838,1049 0.736,1050 14.959,1051 7.68,1052 11.587,1053 1,1054 14.246,1055 2.231,1056 8.626,1057 10.866,1058 0.188,1059 17.047,1060 8.373,1061 13.001,1062 1,1063 16.042,1064 2.136,1065 9.933,1066 12.561,1067 0.57,1068 19.499,1069 9.64,1070 3.163,1071 0.472,1072 17.855,1073 2.136,1074 10.855,1075 13.822,1076 0.125,1077 21.745,1078 10.55,1079 2.89,1080 10.903,1081 19.681,1082 1.219,1083 12.049,1084 15.399,1085 0.439,1086 24.141,1087 11.714,1088 2.535,1089 9.302,1090 21.517,1091 4.516,1092 13.078,1093 16.779,1094 0.082,1095 26.458,1096 12.73,1097 2.48,1098 7.814,1099 23.362,1100 3.873,1101 14.228,1102 18.307,1103 0.334,1104 28.838,1105 13.856,1106 2.22,1107 6.979,1108 25.214,1109 3.444,1110 15.309,1111 19.746,1112 0.054,1113 31.187,1114 14.924,1115 1.779,1116 6.661,1117 27.071,1118 3.083,1119 16.443,1120 21.254,1121 0.252,1122 33.564,1123 16.04,1124 1.55,1125 4.612,1126 28.934,1127 2.801,1128 17.551,1129 22.723,1130 0.035,1131 35.929,1132 17.134,1133 11507,1134 18312,1135 24.038,1136 35.586,1137 50.611,1138 50.61,1139 50.374,1140 50.316,1141 50.295,1142 66.471,1143 4.12,1144 139.376,1145 47.793,1146 5.588,1147 5.219,1148 6.508,1149 5.245,1150 5.163,1151 7.516,1152 1.72,1153 18.126,1154 5.103,1156 1.489,1157 1.489,1158 1.482,1159 1.48,1160 1.479,1161 1.955,1162 0.121,1163 4.099,1164 1.406,1165 4.124,1166 4.164,1167 4.091,1168 4.024,1169 5.115,1170 4.035,1171 3.913,1172 3.966,1173 3.851,1174 3.797,1175 4.948,1176 3.8,1177 3.849,1178 3.901,1179 3.792,1180 3.662,1181 4.89,1182 3.691,1183 3.67,1184 3.726,1185 3.564,1186 3.469,1187 4.6,1188 3.484,1189 3.412,1190 3.491,1191 3.291,1192 3.227,1193 4.388,1194 3.227,1195 3.32,1196 3.389,1197 3.209,1198 3.148,1199 4.194,1200 3.155,1201 3.111,1202 3.206,1203 2.899,1204 2.941,1205 3.903,1206 2.91,1207 2.978,1208 3.033,1209 2.866,1210 2.836,1211 3.857,1212 2.845,1213 0.135,1214 0.095,1215 0.197,1216 0.122,1217 0.093,1218 4.588,1219 0.133,1220 3.219,1221 0.025,1222 6.706,1223 0.321,1224 4.142,1225 0.091,1226 3.163,1227 4.516,1228 0.86,1229 10.903,1230 3.103,1231 1.98,1232 1.957,1233 2.051,1234 2.086,1235 1.219,1236 2.074,1237 1.868,1238 1.829,1239 2.002,1240 1.993,1241 1.19,1242 1.999,1243 1.752,1244 1.698,1245 1.922,1246 1.961,1247 1.175,1248 1.953,1249 1.598,1250 1.545,1251 1.759,1252 1.815,1253 0.828,1254 1.801,1255 1.384,1256 1.312,1257 1.606,1258 1.644,1259 0.825,1260 1.622,1261 1.283,1262 1.205,1263 1.513,1264 1.56,1265 0.704,1266 1.545,1267 1.153,1268 1.064,1269 1.433,1270 1.376,1271 0.392,1272 1.429,1273 1.017,1274 0.96,1275 1.222,1276 1.187,1277 0.288,1278 1.208,1279 4.234,1281 5.533,1282 2.398,1283 7.036,1284 4.595,1285 8.631,1286 6.605,1287 10.276,1295 4.588,1296 3.464,1297 5.496,1300 2.175,1305 34.079,1306 81.779,1307 198.256,1308 253.805,1309 279.58,1310 279.58,1311 279.58,1312 35.384,1313 7.851,1314 91.85,1315 91.85,1316 29,1317 12.606,1318 4.524,1319 3.585,1320 41.334,1321 119,1322 132,1323 0.167,1324 207.117,1325 343.15,1326 497.126,1327 27971,1329 20.175,1330 0.673,1331 0.553,1332 20.175,1333 16.583,1334 14.865,1335 0.437,1336 0.298,1337 9.97,1338 14.217,1339 9.819,1340 8.076,1341 14.865,1342 10.137,1343 12.876,1344 0.28,1345 0.157,1346 12.876,1347 7.213,1348 11.129,1349 0.18,1350 0.084,1351 11.129,1352 5.212,1353 9.683,1354 0.117,1355 0.044,1356 9.683,1357 3.64,1358 7.831,1359 0.075,1360 0.023,1361 7.831,1362 2.399,1363 0.259,1364 93.491,1365 0.204,1366 28.255,1367 0.466,1368 160,1369 444.627,1370 175.839,1371 431.737,1372 606.37,1373 410,1374 188,1375 457.989,1376 204.84,1377 462.817,1378 677.5,1379 437,1380 6.18}
{0 CHEMBL1644584,1 1.543,2 10.667,3 3.115,4 9.702,5 118.668,6 7.576,7 0.647,8 4.095,9 4.225,10 3.693,11 3.608,12 5.172,13 3.605,14 4.631,15 4.812,16 4.018,17 3.995,18 5.658,19 3.969,20 4.839,21 5.062,22 4.012,23 4.114,24 5.756,25 4.044,26 4.846,27 5.084,28 3.972,29 4.08,30 5.775,31 3.997,32 4.842,33 5.095,34 3.971,35 4.032,36 5.799,37 3.964,38 4.763,39 4.984,40 3.98,41 4.037,42 5.706,43 3.981,44 4.834,45 5.057,46 4.001,47 4.103,48 5.776,49 4.024,50 4.941,51 5.183,52 3.911,53 4.166,54 5.764,55 4.045,56 0.052,57 0.866,58 10.654,59 4.319,60 8.971,61 5.825,62 0.305,63 1.365,64 20.694,65 7.123,66 24.827,67 9.739,68 0.34,69 1.568,70 27.234,71 9.069,72 28.288,73 13.116,74 0.26,75 1.588,76 27.457,77 9.17,78 31.462,79 13.656,80 0.459,81 1.555,82 28.433,83 8.315,84 42.542,85 12.715,86 0.262,87 1.504,88 24.65,89 7.793,90 26.268,91 11.5,92 0.42,93 1.58,94 26.698,95 9.199,96 32.484,97 13.172,98 0.267,99 1.622,100 30.895,101 11.547,102 31.498,103 16.511,105 46,106 0.253,107 0.614,108 0.774,109 0.842,110 0.842,111 0.842,112 3.441,113 0.894,114 -3.87,115 -3.83,116 -3.63,119 41.5,121 1,125 5,142 6,143 3,145 3,146 1,147 1,150 1,152 1,168 1,172 7,174 3,175 6,178 1,180 4,183 8,186 1,187 5,192 3,195 4,199 8,202 2,204 4,207 2,211 3,212 7,215 1,217 3,220 2,224 6,227 1,229 1,232 3,236 2,237 6,240 4,241 1,242 1,245 3,249 1,250 7,258 5,263 3,268 1,271 6,275 1522,276 21.137,277 21.137,278 21.137,279 21.137,280 21.137,281 18.62,282 20.167,283 12.894,284 21.725,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.094,291 30.354,292 6.189,293 17.796,294 4.185,295 1.987,296 1.015,297 0.604,298 0.604,299 0.604,300 4.158,304 1,305 1,306 718,307 2.646,310 63.731,311 370.582,314 118.454,318 1.533,319 19.638,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 320,332 4.588,333 3.219,334 6.706,335 4.142,336 3.163,337 4.516,338 0.86,339 10.903,340 3.103,341 4.228,342 3.063,343 6.2,344 3.816,345 2.89,346 3.873,347 0.8,348 9.302,349 2.674,350 3.897,351 2.748,352 5.757,353 3.52,354 2.535,355 3.444,356 0.4,357 7.814,358 2.504,359 3.74,360 2.64,361 5.349,362 3.433,363 2.48,364 3.083,366 6.979,367 2.349,368 3.539,369 2.308,370 5.271,371 3.166,372 2.22,373 2.801,375 6.661,376 2.094,377 3.049,378 2.257,379 4.594,380 2.68,381 1.779,382 2.322,384 4.612,385 1.601,386 2.996,387 1.669,388 4.359,389 2.536,390 1.55,391 2.151,393 4.088,394 1.528,395 2.925,396 1.552,397 3.995,398 2.486,399 1.546,400 2.09,402 3.503,403 1.448,404 2.822,405 1.542,406 3.676,407 2.372,408 1.424,409 1.898,411 3.222,412 1.346,413 2.5,414 1.304,415 3.493,416 1.996,417 1.088,418 1.5,420 2.619,421 0.987,422 2.5,423 1.256,424 3.405,425 1.984,426 1,427 1.5,428 2.264,429 0.983,430 2.237,431 1.14,432 3.32,433 1.97,434 1,435 1.215,436 2.231,437 0.968,438 2.18,439 1,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.914,451 1,452 1,454 2.136,455 0.907,456 1.956,457 0.474,458 3.157,459 1.442,460 0.472,461 0.697,463 1.219,464 0.457,465 14.133,466 0.471,467 0.479,468 0.016,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.957,476 0.765,477 31.467,478 0.594,479 29.925,480 0.997,481 8.292,482 0.276,483 6.574,484 0.219,487 0.276,493 0.894,494 1.378,495 0.757,496 1.103,497 0.766,498 0.94,499 1.277,500 1.035,501 0.973,502 0.936,503 1.035,504 0.922,505 1.107,506 1.071,507 1.004,508 0.96,509 1.04,510 0.968,511 0.8,512 1.191,513 0.979,514 1.104,515 1.007,516 1.066,517 0.957,518 0.949,519 0.957,520 0.841,521 1.073,522 0.874,523 1.091,524 1.161,525 1.043,526 1.028,527 0.999,528 1.014,529 0.828,530 0.923,531 1.065,532 1.059,533 0.843,534 1.086,535 0.807,536 1.029,537 1.031,538 1.161,539 0.826,540 1.141,541 4,542 0.068,543 2.444,544 1.25,545 0.879,546 0.924,547 0.419,548 0.24,549 0.269,550 0.172,551 12563,552 31493,553 2.228,554 43.4,556 16,558 3,559 2,561 2,564 1.734,565 2.195,566 3.377,567 0.243,569 1,573 81.779,574 1.543,575 3.741,576 4.713,577 5.124,578 5.124,579 5.124,580 2.698,581 4.24,582 4.876,583 3.565,584 1550.99,585 8.538,586 21739,588 1,590 1,591 303.58,592 0.837,593 4.881,594 0.118,595 0.002,596 0.053,597 0.028,598 0.021,599 0.022,600 0.01,601 0.006,602 0.007,603 0.005,604 0.271,605 0.33,606 0.88,608 153.374,609 0.008,610 -0.183,611 0.076,612 -0.079,613 0.059,614 -0.006,615 -0.08,616 0.077,617 -0.05,618 0.037,619 -0.023,620 -0.002,621 -0.112,622 -0.052,623 -0.048,624 0.027,625 -0.112,626 0.001,627 -0.002,628 -0.173,629 -0.025,630 -0.127,631 -0.056,632 -0.088,633 0.035,634 0.077,635 0.035,636 0.09,637 0.001,638 0.071,639 -0.147,640 -0.086,641 -0.099,642 -0.076,643 -0.109,644 -0.075,645 0.105,646 0.129,647 -0.12,648 -0.087,649 0.042,650 -0.129,651 -0.013,652 -0.094,653 -0.071,654 -0.124,655 -0.007,656 -0.11,657 0.942,658 1.997,659 0.9,660 29.8,661 1.002,662 1.132,663 2.638,664 6.959,665 0.671,666 3.555,667 3.85,668 4.143,669 4.431,670 4.654,671 4.718,672 4.913,673 5.063,674 5.17,675 5.283,676 6.654,677 0.643,678 401.52,679 3.555,680 5.081,681 5.932,682 6.801,683 7.668,684 8.546,685 9.421,686 10.305,687 11.186,688 12.073,689 13.2,694 1,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,724 1,726 1,731 53,733 22,734 1,735 34,737 57,738 22,739 16,740 3,741 3,746 5,747 6,758 1,761 16,762 6,778 1,781 23,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.417,879 6.611,880 3.207,881 3.8,882 1.484,883 1.029,884 5.555,885 11.651,886 3.829,887 4.422,888 5.041,889 5.663,890 6.19,891 6.484,892 6.954,893 7.382,894 7.667,895 8.051,896 0.857,897 45,898 11.05,900 4.665,901 7.539,902 21.501,904 17.717,905 2.039,906 61.167,909 1,910 247.193,911 120.108,912 104.818,914 11,917 120.108,918 258.193,919 104.818,921 18.036,922 56.857,923 131.344,924 58.63,925 6.371,926 211.88,928 247.193,929 224.926,930 11,933 223.651,934 23.542,935 11,937 66.498,938 73.398,939 85.03,941 247.193,942 115.818,943 120.108,946 247.193,947 36.108,948 87.124,949 34.674,950 78.019,951 247.193,952 115.818,953 120.108,955 0.568,956 0.333,957 0.19,958 0.101,959 23,960 8,961 0.105,962 6,963 1,964 1.074,965 4.287,966 274.889,967 0.074,968 27,969 139.207,974 18.981,975 8.78,976 4.304,977 2.04,978 99.155,979 17.671,980 17.952,981 3.034,984 4.697,986 34.674,987 483.119,988 45,999 53.109,1000 60.019,1001 0.269,1002 0.653,1003 0.823,1004 0.895,1005 0.895,1006 0.895,1007 5.04,1008 1.546,1009 5.878,1010 4.088,1011 4.533,1012 5.109,1013 1.324,1014 6.658,1015 4.437,1016 6.217,1017 1.424,1018 7.403,1019 3.503,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.771,1025 7.503,1026 1.088,1027 9.033,1028 3.222,1029 6.08,1030 7.309,1031 0.958,1032 10.616,1033 5.906,1034 8.83,1035 1,1036 10.73,1037 2.619,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.157,1043 10.195,1044 1,1045 12.472,1046 2.264,1047 7.92,1048 9.838,1049 0.736,1050 14.959,1051 7.682,1052 11.587,1053 1,1054 14.246,1055 2.231,1056 8.626,1057 10.866,1058 0.188,1059 17.047,1060 8.376,1061 13.001,1062 1,1063 16.042,1064 2.136,1065 9.933,1066 12.561,1067 0.57,1068 19.499,1069 9.643,1070 3.163,1071 0.472,1072 17.855,1073 2.136,1074 10.855,1075 13.822,1076 0.125,1077 21.745,1078 10.554,1079 2.89,1080 10.903,1081 19.681,1082 1.219,1083 12.049,1084 15.399,1085 0.439,1086 24.141,1087 11.717,1088 2.535,1089 9.302,1090 21.517,1091 4.516,1092 13.078,1093 16.779,1094 0.082,1095 26.458,1096 12.733,1097 2.48,1098 7.814,1099 23.362,1100 3.873,1101 14.228,1102 18.307,1103 0.334,1104 28.838,1105 13.859,1106 2.22,1107 6.979,1108 25.214,1109 3.444,1110 15.309,1111 19.746,1112 0.054,1113 31.187,1114 14.926,1115 1.779,1116 6.661,1117 27.071,1118 3.083,1119 16.443,1120 21.254,1121 0.252,1122 33.564,1123 16.042,1124 1.55,1125 4.612,1126 28.934,1127 2.801,1128 17.551,1129 22.723,1130 0.035,1131 35.929,1132 17.136,1133 11507,1134 18360,1135 24.038,1136 35.586,1137 50.611,1138 50.61,1139 50.374,1140 50.322,1141 50.295,1142 66.471,1143 4.12,1144 139.376,1145 47.789,1146 5.588,1147 5.219,1148 6.508,1149 5.245,1150 5.163,1151 7.516,1152 1.72,1153 18.126,1154 5.103,1156 1.489,1157 1.489,1158 1.482,1159 1.48,1160 1.479,1161 1.955,1162 0.121,1163 4.099,1164 1.406,1165 4.124,1166 4.164,1167 4.091,1168 4.024,1169 5.115,1170 4.035,1171 3.914,1172 3.966,1173 3.852,1174 3.801,1175 4.948,1176 3.803,1177 3.849,1178 3.901,1179 3.792,1180 3.662,1181 4.893,1182 3.691,1183 3.67,1184 3.726,1185 3.564,1186 3.469,1187 4.6,1188 3.483,1189 3.406,1190 3.487,1191 3.288,1192 3.205,1193 4.388,1194 3.212,1195 3.318,1196 3.388,1197 3.206,1198 3.144,1199 4.201,1200 3.15,1201 3.111,1202 3.206,1203 2.898,1204 2.941,1205 3.908,1206 2.91,1207 2.977,1208 3.03,1209 2.866,1210 2.826,1211 3.866,1212 2.837,1213 0.135,1214 0.095,1215 0.197,1216 0.122,1217 0.093,1218 4.588,1219 0.133,1220 3.219,1221 0.025,1222 6.706,1223 0.321,1224 4.142,1225 0.091,1226 3.163,1227 4.516,1228 0.86,1229 10.903,1230 3.103,1231 1.98,1232 1.957,1233 2.051,1234 2.086,1235 1.221,1236 2.074,1237 1.871,1238 1.832,1239 2.004,1240 1.994,1241 1.195,1242 2,1243 1.752,1244 1.698,1245 1.922,1246 1.961,1247 1.176,1248 1.953,1249 1.597,1250 1.544,1251 1.754,1252 1.814,1253 0.825,1254 1.8,1255 1.37,1256 1.294,1257 1.593,1258 1.643,1259 0.82,1260 1.617,1261 1.279,1262 1.201,1263 1.513,1264 1.557,1265 0.692,1266 1.542,1267 1.153,1268 1.064,1269 1.432,1270 1.376,1271 0.39,1272 1.429,1273 1.017,1274 0.959,1275 1.222,1276 1.187,1277 0.282,1278 1.208,1279 4.234,1281 5.533,1282 2.398,1283 7.036,1284 4.595,1285 8.631,1286 6.605,1287 10.276,1295 4.627,1296 3.472,1297 5.497,1300 2.177,1305 34.079,1306 81.779,1307 198.256,1308 249.805,1309 271.58,1310 271.58,1311 271.58,1312 35.203,1313 7.851,1314 91.85,1315 91.85,1316 29,1317 12.606,1318 4.524,1319 3.585,1320 41.334,1321 119,1322 132,1323 0.167,1324 207.117,1325 343.15,1326 497.126,1327 27971,1329 20.175,1330 0.673,1331 0.553,1332 20.175,1333 16.583,1334 14.865,1335 0.437,1336 0.298,1337 9.97,1338 14.214,1339 9.82,1340 8.074,1341 14.865,1342 10.137,1343 12.876,1344 0.28,1345 0.157,1346 12.876,1347 7.207,1348 11.129,1349 0.18,1350 0.084,1351 11.129,1352 5.238,1353 9.683,1354 0.117,1355 0.044,1356 9.683,1357 3.644,1358 7.831,1359 0.075,1360 0.023,1361 7.831,1362 2.398,1363 0.259,1364 93.491,1365 0.204,1366 28.255,1367 0.466,1368 160,1369 444.627,1370 175.839,1371 431.606,1372 606.33,1373 410,1374 188,1375 457.989,1376 204.673,1377 462.522,1378 677.1,1379 437,1380 6.114}
{0 CHEMBL1644585,1 1.565,2 10.241,3 4.047,4 16.376,5 110.883,6 7.75,7 0.667,8 4.043,9 4.155,10 3.662,11 3.571,12 5.129,13 3.574,14 4.579,15 4.738,16 4,17 3.947,18 5.647,19 3.933,20 4.769,21 4.974,22 3.982,23 4.037,24 5.746,25 3.983,26 4.742,27 4.965,28 3.888,29 3.965,30 5.71,31 3.896,32 4.693,33 4.922,34 3.915,35 3.904,36 5.687,37 3.86,38 4.623,39 4.794,40 3.948,41 3.926,42 5.655,43 3.909,44 4.709,45 4.888,46 3.953,47 4.025,48 5.716,49 3.961,50 4.835,51 5.074,52 3.901,53 4.044,54 5.707,55 3.95,56 0.03,57 0.77,58 9.548,59 4.253,60 6.707,61 5.358,62 0.346,63 1.24,64 19.068,65 6.989,66 25.702,67 8.808,68 0.401,69 1.433,70 24.865,71 8.568,72 30.997,73 11.58,74 0.349,75 1.389,76 24.564,77 8.342,78 32.885,79 11.669,80 0.411,81 1.303,82 24.173,83 7.973,84 36.349,85 11.062,86 0.307,87 1.254,88 20.574,89 6.924,90 25.692,91 8.707,92 0.458,93 1.357,94 22.355,95 8.724,96 31.955,97 11.321,98 0.234,99 1.472,100 27.785,101 10.284,102 29.583,103 14.465,105 45,106 0.26,107 0.608,108 0.784,109 0.864,110 0.864,111 0.864,112 3.409,113 0.879,114 -3.8,115 -3.77,116 -3.58,119 44,125 5,142 8,143 2,145 1,146 2,147 1,150 1,151 1,152 1,172 7,174 4,175 6,180 3,183 7,186 2,187 4,192 2,195 6,198 2,199 6,204 1,207 2,211 3,212 10,215 1,217 1,220 2,224 5,232 2,236 3,237 9,240 3,245 2,250 9,258 3,263 4,271 4,275 1395,276 20.378,277 20.378,278 20.378,279 20.378,280 20.378,281 17.881,282 17.999,283 12.344,284 21.012,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.603,291 25.879,292 5.959,293 17.4,294 4.079,295 1.984,296 0.92,297 0.44,298 0.44,299 0.44,300 4.126,304 1,305 1,306 668,307 2.449,310 69.32,311 351.044,314 117.045,318 1.491,319 20.899,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 297,332 4.478,333 3.214,334 6.355,335 4.027,336 3.063,337 4.393,338 1.151,339 9.832,340 2.973,341 4.273,342 2.977,343 6.177,344 3.831,345 2.888,346 3.939,347 0.86,348 9.208,349 2.715,350 3.901,351 2.928,352 5.942,353 3.536,354 2.589,355 3.446,356 0.8,357 8.377,358 2.444,359 3.832,360 2.676,361 5.397,362 3.486,363 2.529,364 3.209,366 7.107,367 2.414,368 3.552,369 2.451,370 5.227,371 3.171,372 2.247,373 2.803,375 6.609,376 2.064,377 3.034,378 2.271,379 4.491,380 2.666,381 1.772,382 2.301,384 4.545,385 1.58,386 2.997,387 1.692,388 4.378,389 2.509,390 1.534,391 2.156,393 4.242,394 1.494,395 2.898,396 1.535,397 4.201,398 2.473,399 1.5,400 2.059,402 3.768,403 1.454,404 2.825,405 1.528,406 3.635,407 2.367,408 1.41,409 1.904,411 3.136,412 1.343,413 2.525,414 1.308,415 3.492,416 2.014,417 1.092,418 1.537,420 2.61,421 1.005,422 2.5,423 1.256,424 3.434,425 1.959,426 1,427 1.5,428 2.353,429 0.956,430 2.202,431 1.035,432 3.247,433 1.952,434 1,435 1.177,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.919,442 1,443 1,445 2.136,446 0.91,447 1.903,448 0.968,449 3.12,450 1.49,451 0.606,452 0.716,454 1.435,455 0.53,456 1.821,457 0.409,458 3.04,459 1.379,460 0.408,461 0.607,463 1.01,464 0.396,465 13.667,466 0.471,467 0.496,468 0.017,469 41.25,470 1.422,471 21,472 0.724,473 20.25,474 0.698,475 20.88,476 0.72,477 30.133,478 0.603,479 29.485,480 1.017,481 8.278,482 0.285,483 6.07,484 0.209,487 0.285,493 0.908,494 1.402,495 0.726,496 1.117,497 0.827,498 0.928,499 1.303,500 1.02,501 0.965,502 0.919,503 1.062,504 0.9,505 1.139,506 1.055,507 1.033,508 0.961,509 1.09,510 0.974,511 0.943,512 1.109,513 1.028,514 1.05,515 1.16,516 1.04,517 0.992,518 0.886,519 0.832,520 0.822,521 0.935,522 0.798,523 1.68,524 1.128,525 1.118,526 0.961,527 1.438,528 0.949,529 0.943,530 1.003,531 1.106,532 1.128,533 1.027,534 1.152,535 0.769,536 1.146,537 0.891,538 1.091,539 0.7,540 1.026,541 4.5,542 0.098,543 2.444,544 0.944,545 1.244,546 0.823,547 0.336,548 0.425,549 0.255,550 0.104,551 11516,552 28646,553 2.237,554 42,556 18,557 1,558 1,559 1,564 1.726,565 2.203,566 3.345,567 -0.336,569 1,573 78.237,574 1.565,575 3.66,576 4.724,577 5.204,578 5.204,579 5.204,580 2.738,581 4.418,582 4.827,583 3.512,584 1425.8,585 8.443,586 19477.5,588 1,590 1,591 282.193,592 0.85,593 4.832,594 0.136,595 0.004,596 0.054,597 0.022,598 0.033,599 0.021,600 0.008,601 0.01,602 0.007,603 0.003,604 0.298,605 0.33,606 0.88,608 146.392,609 -0.039,610 -0.266,611 0.079,612 -0.119,613 -0.024,614 -0.02,615 -0.056,616 0.068,617 -0.047,618 0.035,619 -0.006,620 -0.006,621 -0.07,622 -0.026,623 -0.073,624 -0.003,625 -0.069,626 -0.032,627 0.004,628 -0.086,629 -0.058,630 -0.098,631 -0.106,632 -0.085,633 0.098,634 0.121,635 0.172,636 0.127,637 0.174,638 0.158,639 -0.315,640 -0.059,641 -0.169,642 -0.023,643 -0.261,644 -0.061,645 0.137,646 0.023,647 -0.181,648 -0.144,649 -0.025,650 -0.209,651 0.018,652 -0.205,653 0.089,654 -0.087,655 0.134,656 -0.006,657 1.143,658 2.479,659 0.931,660 28.19,661 1.005,662 1.125,663 2.574,664 6.627,665 0.681,666 3.526,667 3.829,668 4.111,669 4.382,670 4.625,671 4.691,672 4.898,673 5.063,674 5.187,675 5.313,676 6.444,677 0.655,678 387.48,679 3.526,680 5.056,681 5.905,682 6.772,683 7.636,684 8.509,685 9.38,686 10.257,687 11.133,688 12.014,689 10,695 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,726 1,729 1,731 50,733 22,734 1,735 33,737 54,738 22,739 17,740 3,741 3,746 5,747 6,761 17,762 5,778 1,781 21,782 6,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 29,854 5,856 2,859 1,870 4,874 1,875 1,877 13.167,878 8.967,879 6.333,880 2.976,881 3.796,882 1.486,883 1.03,884 5.116,885 11.606,886 3.807,887 4.41,888 5.02,889 5.624,890 6.165,891 6.47,892 6.964,893 7.422,894 7.753,895 8.182,896 0.857,897 43,898 10.692,900 4.537,901 7.557,902 20.716,904 17.055,905 2.057,906 59.667,908 1,909 1,910 235.422,911 132.023,912 70.266,914 22,917 132.023,918 257.422,919 70.266,921 17.989,922 84.857,923 73.128,924 51.229,925 20.629,926 211.88,928 235.422,929 202.29,930 22,933 235.422,934 11,935 11,937 51.234,938 100.699,939 50.357,941 235.422,942 92.266,943 132.023,946 235.422,947 38.118,948 97.029,949 16.786,950 72.356,951 235.422,952 92.266,953 132.023,955 0.572,956 0.332,957 0.183,958 0.1,959 23,960 8,961 0.093,962 5,963 1,964 1.074,965 4.215,966 262.971,967 0.074,968 27,969 136.881,974 18.104,975 8.195,976 4.09,977 2.243,978 75.481,979 19.672,980 13.79,981 3.259,984 3.893,986 16.786,987 459.711,988 44,999 50.232,1000 56.232,1001 0.277,1002 0.648,1003 0.837,1004 0.922,1005 0.922,1006 0.922,1007 5.021,1008 1.5,1009 5.855,1010 4.242,1011 4.511,1012 5.097,1013 1.806,1014 6.624,1015 4.399,1016 6.203,1017 1.41,1018 7.376,1019 3.768,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.744,1025 7.49,1026 1.092,1027 8.996,1028 3.136,1029 6.057,1030 7.296,1031 1.802,1032 10.497,1033 5.849,1034 8.815,1035 1,1036 10.677,1037 2.61,1038 6.312,1039 7.841,1040 0.268,1041 12.117,1042 6.073,1043 10.175,1044 1,1045 12.397,1046 2.353,1047 7.874,1048 9.798,1049 1.906,1050 14.687,1051 7.583,1052 11.559,1053 1,1054 14.145,1055 2.136,1056 8.547,1057 10.781,1058 0.188,1059 16.657,1060 8.228,1061 12.961,1062 0.606,1063 15.911,1064 2.136,1065 9.844,1066 12.472,1067 2.069,1068 19.033,1069 9.479,1070 3.063,1071 0.408,1072 17.69,1073 1.435,1074 10.726,1075 13.684,1076 0.125,1077 21.158,1078 10.333,1079 2.888,1080 9.832,1081 19.48,1082 1.01,1083 11.903,1084 15.25,1085 2.272,1086 23.459,1087 11.471,1088 2.589,1089 9.208,1090 21.276,1091 4.393,1092 12.891,1093 16.583,1094 0.082,1095 25.654,1096 12.43,1097 2.529,1098 8.377,1099 23.079,1100 3.939,1101 14.016,1102 18.09,1103 2.501,1104 27.928,1105 13.52,1106 2.247,1107 7.107,1108 24.887,1109 3.446,1110 15.056,1111 19.486,1112 0.054,1113 30.158,1114 14.532,1115 1.772,1116 6.609,1117 26.698,1118 3.209,1119 16.161,1120 20.969,1121 2.746,1122 32.422,1123 15.605,1124 1.534,1125 4.545,1126 28.513,1127 2.803,1128 17.23,1129 22.399,1130 0.035,1131 34.67,1132 16.645,1133 10498,1134 16701,1135 23.345,1136 34.029,1137 49.484,1138 49.662,1139 48.949,1140 49.281,1141 49.278,1142 65.491,1143 5.622,1144 137.003,1145 46.451,1146 5.478,1147 5.214,1148 6.157,1149 5.13,1150 5.063,1151 7.393,1152 2.302,1153 16.408,1154 4.973,1156 1.5,1157 1.505,1158 1.483,1159 1.493,1160 1.493,1161 1.985,1162 0.17,1163 4.152,1164 1.408,1165 4.13,1166 4.164,1167 4.089,1168 4.045,1169 5.074,1170 4.052,1171 3.912,1172 3.957,1173 3.863,1174 3.772,1175 4.941,1176 3.783,1177 3.84,1178 3.89,1179 3.781,1180 3.678,1181 4.871,1182 3.702,1183 3.671,1184 3.716,1185 3.568,1186 3.483,1187 4.608,1188 3.495,1189 3.36,1190 3.408,1191 3.276,1192 3.208,1193 4.398,1194 3.218,1195 3.185,1196 3.239,1197 3.063,1198 3.003,1199 4.227,1200 3.004,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.848,1206 2.91,1207 2.956,1208 3.017,1209 2.848,1210 2.814,1211 3.834,1212 2.812,1213 0.136,1214 0.097,1215 0.193,1216 0.122,1217 0.093,1218 4.478,1219 0.133,1220 3.214,1221 0.035,1222 6.355,1223 0.298,1224 4.027,1225 0.09,1226 3.063,1227 4.393,1228 1.151,1229 9.832,1230 2.973,1231 1.973,1232 1.951,1233 2.046,1234 2.08,1235 1.207,1236 2.066,1237 1.839,1238 1.802,1239 1.963,1240 1.977,1241 1.172,1242 1.974,1243 1.747,1244 1.697,1245 1.921,1246 1.957,1247 1.021,1248 1.95,1249 1.576,1250 1.536,1251 1.702,1252 1.772,1253 0.825,1254 1.751,1255 1.476,1256 1.412,1257 1.646,1258 1.696,1259 0.765,1260 1.692,1261 1.172,1262 1.123,1263 1.513,1264 1.402,1265 0.645,1266 1.429,1267 1.153,1268 1.064,1269 1.429,1270 1.376,1271 0.586,1272 1.408,1273 0.98,1274 0.932,1275 1.168,1276 1.173,1277 0.279,1278 1.169,1279 4.205,1281 5.509,1282 2.398,1283 7.013,1284 4.595,1285 8.603,1286 6.581,1287 10.238,1295 3.228,1297 11.449,1300 2.133,1305 32.751,1306 78.237,1307 182.999,1308 236.193,1309 260.193,1310 260.193,1311 260.193,1312 32.834,1313 7.81,1314 76.16,1315 76.16,1316 29,1317 12.551,1318 4.524,1319 3.585,1320 39.323,1321 111,1322 116,1323 0.169,1324 197.525,1325 329.94,1326 473.721,1327 26127,1329 19.468,1330 0.671,1331 0.549,1332 19.468,1333 15.914,1334 14.348,1335 0.435,1336 0.293,1337 9.505,1338 13.718,1339 9.356,1340 7.683,1341 14.348,1342 9.671,1343 12.597,1344 0.28,1345 0.153,1346 12.597,1347 6.88,1348 10.899,1349 0.182,1350 0.082,1351 10.899,1352 4.93,1353 9.259,1354 0.117,1355 0.043,1356 9.259,1357 3.378,1358 7.63,1359 0.076,1360 0.022,1361 7.63,1362 2.247,1363 0.262,1364 90.299,1365 0.207,1366 27.435,1367 0.476,1368 156,1369 450.384,1370 172.662,1371 430.97,1372 604.43,1373 410,1374 183,1375 453.978,1376 200.303,1377 457.468,1378 672.92,1379 432,1380 5}
{0 CHEMBL1644586,1 1.757,2 11.581,3 3.137,4 9.839,5 118.631,6 8.177,7 0.529,8 4.109,9 4.208,10 3.889,11 3.634,12 5.185,13 3.617,14 4.661,15 4.812,16 4.119,17 3.971,18 5.955,19 3.951,20 4.861,21 5.057,22 4.087,23 4.072,24 5.959,25 4.021,26 4.812,27 5.025,28 4.054,29 4.043,30 5.876,31 3.969,32 4.814,33 5.019,34 4.06,35 4.023,36 5.951,37 3.974,38 4.763,39 4.946,40 4.007,41 4.003,42 5.841,43 3.963,44 4.762,45 4.951,46 4.021,47 4.049,48 5.765,49 3.975,50 4.866,51 5.092,52 4.033,53 4.104,54 5.889,55 3.994,56 0.13,57 0.848,58 12.684,59 5.061,60 17.99,61 5.844,62 0.641,63 1.309,64 24.62,65 8.312,66 67.366,67 9.756,68 0.726,69 1.5,70 28.327,71 9.17,72 70.389,73 11.601,74 0.505,75 1.464,76 28.753,77 9.635,78 45.777,79 12.604,80 0.602,81 1.414,82 28.912,83 9.54,84 61.904,85 12.186,86 0.549,87 1.358,88 24.35,89 8.641,90 49.688,91 10.791,92 0.535,93 1.405,94 24.638,95 9.288,96 38.265,97 12.076,98 0.5,99 1.512,100 29.888,101 11.362,102 51.208,103 15.314,104 12,105 47,106 0.289,107 0.607,108 0.773,109 0.834,110 0.834,111 0.834,112 3.472,113 1.031,114 -3.11,115 -3.1,116 -2.98,119 38.9,124 1,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 5,175 6,178 2,180 2,183 6,186 2,187 4,192 2,195 4,198 2,199 11,204 1,207 2,211 3,212 13,220 1,224 9,227 1,229 1,232 1,236 3,237 6,245 2,249 2,250 8,253 3,258 3,263 6,271 5,275 1825,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.365,282 22.872,283 12.531,284 21.506,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.111,291 29.354,292 6.077,293 18.009,294 3.998,295 2.063,296 1.051,297 0.681,298 0.681,299 0.681,300 4.169,304 1,305 1,306 770,307 3.536,311 430.478,318 1.825,319 35.692,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68.5,331 359,332 4.644,333 4.311,334 6.456,335 4.079,336 3.141,337 4.442,338 1.151,339 10.197,340 2.936,341 4.364,342 3.21,343 6.31,344 3.959,345 3.019,346 4.03,347 0.86,348 9.692,349 2.848,350 4.004,351 2.942,352 6.02,353 3.649,354 2.702,355 3.546,356 0.8,357 8.647,358 2.535,359 3.898,360 2.817,361 5.404,362 3.494,363 2.547,364 3.441,366 7.131,367 2.415,368 3.665,369 2.574,370 5.265,371 3.301,372 2.353,373 2.961,375 6.75,376 2.228,377 3.504,378 2.383,379 5.169,380 3.103,381 2.165,382 2.779,384 6.443,385 2.013,386 2.971,387 2.269,388 4.46,389 2.661,390 1.768,391 2.108,393 4.493,394 1.575,395 2.894,396 1.689,397 4.212,398 2.47,399 1.495,400 2.015,402 3.751,403 1.453,404 2.752,405 1.525,406 3.635,407 2.294,408 1.348,409 1.833,411 3.135,412 1.27,413 2.5,414 1.278,415 3.491,416 2,417 1.052,418 1.5,420 2.599,421 1,422 2.5,423 1.256,424 3.414,425 1.959,426 1,427 1.5,428 2.275,429 0.956,430 2.201,431 1,432 3.247,433 1.952,434 1,435 1.177,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.931,442 1,443 1,445 2.136,446 0.919,447 1.822,448 0.98,449 3.135,450 1.488,451 0.605,452 0.715,454 1.435,455 0.529,456 1.346,457 0.753,458 3.118,459 1.004,460 0.045,461 0.055,463 0.123,464 0.043,465 14.667,466 0.473,467 0.798,468 0.026,469 43.5,470 1.403,471 22.5,472 0.726,473 21,474 0.677,475 23.568,476 0.76,477 33.933,478 0.628,479 33.786,480 1.09,481 8.523,482 0.275,483 6.438,484 0.208,485 0.08,486 0.057,487 0.232,493 0.701,494 1.537,495 0.785,496 1.336,497 0.698,498 1.004,499 0.997,500 1.091,501 1.092,502 1.075,503 0.598,504 0.943,505 1.293,506 0.982,507 0.955,508 0.79,509 1.261,510 0.944,511 0.805,512 1.089,513 0.946,514 1.014,515 0.611,516 1.003,517 1.02,518 0.963,519 0.893,520 0.9,521 0.959,522 0.896,523 1.289,524 1.033,525 0.9,526 0.872,527 0.968,528 0.998,529 0.817,530 1.058,531 0.874,532 0.989,533 0.503,534 1.096,535 0.446,536 1.048,537 0.78,538 1.032,539 0.389,540 1.07,541 7,542 0.227,543 2.444,544 1.313,545 1.458,546 1.049,547 0.486,548 0.495,549 0.328,550 0.226,551 13170,552 40703,553 2.096,554 42.6,556 21,558 1,559 1,564 1.741,565 1.989,566 3.497,567 -0.265,569 1,573 94.874,574 1.757,575 3.692,576 4.704,577 5.074,578 5.074,579 5.074,580 2.955,581 4.26,582 4.92,583 3.711,584 1725.44,585 8.623,586 25111.2,588 1,590 1,591 310.764,592 1.379,593 4.892,594 0.206,595 0.007,596 0.052,597 0.03,598 0.035,599 0.024,600 0.012,601 0.012,602 0.008,603 0.006,604 0.391,605 0.33,606 0.88,607 0.805,608 161.562,609 0.034,610 -0.318,611 0.206,612 -0.172,613 -0.143,614 -0.03,615 0.098,616 0.022,617 -0.1,618 -0.054,619 0.275,620 -0.02,621 -0.218,622 0.04,623 -0.118,624 0.078,625 -0.214,626 -0.027,627 -0.011,628 -0.051,629 -0.019,630 -0.057,631 0.024,632 -0.028,633 -0.045,634 0.037,635 0.005,636 0.026,637 -0.022,638 0.064,639 -0.233,640 -0.025,641 -0.127,642 -0.01,643 -0.157,644 -0.071,645 0.001,646 -0.036,647 -0.071,648 -0.067,649 -0.026,650 -0.124,651 0.192,652 -0.081,653 0.089,654 -0.071,655 0.172,656 -0.038,657 4.253,658 4.44,659 0.774,660 36.173,661 1.016,662 1.129,663 1.876,664 3.518,665 0.673,666 3.555,667 3.871,668 4.043,669 4.304,670 4.554,671 4.585,672 4.796,673 4.949,674 5.043,675 5.176,676 7.168,677 0.646,678 441.56,679 3.555,680 5.094,681 5.911,682 6.781,683 7.615,684 8.489,685 9.333,686 10.209,687 11.06,688 11.937,689 9.3,694 1,695 1,699 3,704 9,705 3,709 6,711 18,726 1,729 1,731 54,733 20,734 1,735 34,737 57,738 21,739 15,740 2,741 4,746 4,747 4,761 15,762 6,766 2,769 1,771 2,778 1,781 23,782 9,783 1,784 10,785 1,790 5,794 1,795 4,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 31,852 1,854 5,855 1,856 2,859 1,870 7.4,873 2,874 1,875 1,877 15.583,878 9.883,879 6.681,880 3.011,881 3.085,882 1.405,883 0.987,884 6.662,885 10.7,886 3.829,887 4.425,888 4.842,889 5.411,890 5.967,891 6.152,892 6.61,893 7.022,894 7.349,895 7.74,896 0.875,897 44,898 11.603,900 5.048,901 7.852,902 21.742,904 17.648,905 2.352,906 72.917,909 1,910 258.964,911 134.013,912 69.886,914 66.313,916 5.807,917 128.206,918 325.277,919 69.886,920 7.19,921 17.989,922 81.617,923 133.846,924 34.627,925 6.714,926 247.193,928 258.964,929 198.092,930 66.313,931 5.807,933 258.964,934 55.313,935 11,937 34.449,938 96.882,939 72.569,941 258.964,942 136.199,943 134.013,945 5.807,946 258.964,947 36.158,948 95.172,949 16.405,950 116.669,951 258.964,952 136.199,953 134.013,955 0.579,956 0.304,957 0.165,958 0.095,959 22,960 9,961 0.123,962 7,964 1,965 4.282,966 274.822,968 24,969 143.58,973 1,974 21.503,975 9.604,976 6.138,978 136.199,979 16.138,980 13.567,984 3.787,986 16.405,987 529.176,988 45,991 -3.336,993 22.879,999 54.847,1000 60.986,1001 0.305,1002 0.642,1003 0.817,1004 0.882,1005 0.882,1006 0.882,1007 5.059,1008 1.495,1009 5.905,1010 4.493,1011 4.554,1012 5.112,1013 1.806,1014 6.683,1015 4.431,1016 6.272,1017 1.348,1018 7.44,1019 3.751,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.005,1025 7.596,1026 1.052,1027 9.078,1028 3.135,1029 6.163,1030 7.347,1031 1.802,1032 10.626,1033 5.92,1034 8.957,1035 1,1036 10.778,1037 2.599,1038 6.594,1039 8.097,1040 0.268,1041 12.394,1042 6.27,1043 10.35,1044 1,1045 12.516,1046 2.275,1047 8.055,1048 9.897,1049 1.906,1050 14.903,1051 7.687,1052 11.767,1053 1,1054 14.28,1055 2.136,1056 8.84,1057 10.998,1058 0.188,1059 16.973,1060 8.392,1061 13.201,1062 0.605,1063 16.062,1064 2.136,1065 10.095,1066 12.609,1067 2.069,1068 19.338,1069 9.599,1070 3.141,1071 0.045,1072 17.857,1073 1.435,1074 11.052,1075 13.885,1076 0.125,1077 21.536,1078 10.479,1079 3.019,1080 10.197,1081 19.661,1082 0.123,1083 12.221,1084 15.414,1085 2.272,1086 23.851,1087 11.594,1088 2.702,1089 9.692,1090 21.473,1091 4.442,1092 13.261,1093 16.782,1094 0.082,1095 26.105,1096 12.561,1097 2.547,1098 8.647,1099 23.291,1100 4.03,1101 14.397,1102 18.275,1103 2.501,1104 28.406,1105 13.639,1106 2.353,1107 7.131,1108 25.113,1109 3.546,1110 15.479,1111 19.692,1112 0.054,1113 30.684,1114 14.65,1115 2.165,1116 6.75,1117 26.94,1118 3.441,1119 16.603,1120 21.171,1121 2.746,1122 32.983,1123 15.712,1124 1.768,1125 6.443,1126 28.771,1127 2.961,1128 17.706,1129 22.615,1130 0.035,1131 35.274,1132 16.747,1133 12586,1134 22303,1135 22.94,1136 36.347,1137 50.425,1138 52.323,1139 50.226,1140 50.542,1141 50.483,1142 66.206,1143 5.622,1144 141.886,1145 47.331,1146 5.644,1147 6.311,1148 6.258,1149 5.182,1150 5.141,1151 7.442,1152 2.302,1153 16.683,1154 4.936,1155 13.27,1156 1.483,1157 1.539,1158 1.477,1159 1.487,1160 1.485,1161 1.947,1162 0.165,1163 4.173,1164 1.392,1165 4.049,1166 4.065,1167 4.716,1168 3.987,1169 7.718,1170 3.94,1171 3.922,1172 3.931,1173 3.954,1174 3.829,1175 6.999,1176 3.774,1177 3.856,1178 3.892,1179 3.802,1180 3.758,1181 5.053,1182 3.731,1183 3.767,1184 3.788,1185 3.712,1186 3.604,1187 4.88,1188 3.608,1189 3.608,1190 3.64,1191 3.53,1192 3.433,1193 4.705,1194 3.444,1195 3.206,1196 3.254,1197 3.091,1198 3.02,1199 4.608,1200 3.024,1201 3.111,1202 3.206,1203 2.881,1204 2.941,1205 4.355,1206 2.91,1207 2.958,1208 3.021,1209 2.866,1210 2.77,1211 3.948,1212 2.785,1213 0.137,1214 0.127,1215 0.19,1216 0.12,1217 0.092,1218 4.644,1219 0.131,1220 4.311,1221 0.034,1222 6.456,1223 0.3,1224 4.079,1225 0.086,1226 3.141,1227 4.442,1228 1.151,1229 10.197,1230 2.936,1231 1.956,1232 1.937,1233 2.03,1234 2.075,1235 1.202,1236 2.072,1237 1.839,1238 1.804,1239 1.962,1240 1.98,1241 1.139,1242 1.986,1243 1.758,1244 1.745,1245 1.918,1246 1.961,1247 1.021,1248 1.96,1249 1.664,1250 1.652,1251 1.691,1252 1.828,1253 0.946,1254 1.869,1255 1.536,1256 1.504,1257 1.598,1258 1.712,1259 0.825,1260 1.717,1261 1.167,1262 1.116,1263 1.513,1264 1.397,1265 0.716,1266 1.429,1267 1.153,1268 1.064,1269 1.427,1270 1.376,1271 0.586,1272 1.405,1273 0.895,1274 0.836,1275 1.181,1276 1.161,1277 0.268,1278 1.167,1279 4.234,1281 5.549,1283 7.047,1285 8.621,1287 10.235,1289 1.116,1295 2.908,1296 2.458,1297 11.344,1300 2.056,1305 34.894,1306 94.874,1307 199.374,1308 254.009,1309 274.009,1310 274.009,1311 274.009,1312 54.889,1313 7.615,1314 106.54,1315 114.92,1316 24,1317 12.481,1318 4.392,1319 3.585,1320 49.169,1321 129,1322 132,1323 0.18,1324 217.377,1325 374.63,1326 522.159,1327 20368,1329 21.684,1330 0.699,1331 0.577,1332 21.934,1333 17.878,1334 14.96,1335 0.44,1336 0.344,1337 9.764,1338 13.482,1339 9.386,1340 7.743,1341 15.887,1342 11.681,1343 14.118,1344 0.3,1345 0.187,1346 15.501,1347 8.801,1348 10.361,1349 0.185,1350 0.092,1351 10.812,1352 5.169,1353 8.822,1354 0.121,1355 0.05,1356 9.357,1357 3.658,1358 7.363,1359 0.078,1360 0.026,1361 7.728,1362 2.402,1363 0.282,1364 104.165,1365 0.209,1366 29.239,1367 0.494,1368 162,1369 540.716,1370 213.169,1371 531.454,1372 715.86,1373 494,1374 184,1375 496.081,1376 242.19,1377 530.272,1378 763.64,1379 494,1380 5}
{0 CHEMBL1644587,1 1.611,2 9.793,3 3.397,4 11.54,5 109.811,6 7.928,7 0.667,8 4.032,9 4.146,10 3.669,11 3.543,12 5.144,13 3.555,14 4.564,15 4.725,16 4.004,17 3.914,18 5.648,19 3.911,20 4.74,21 4.94,22 4.001,23 4.012,24 5.734,25 3.972,26 4.733,27 4.95,28 3.954,29 3.962,30 5.741,31 3.915,32 4.705,33 4.926,34 3.968,35 3.919,36 5.746,37 3.889,38 4.644,39 4.818,40 3.979,41 3.927,42 5.681,43 3.917,44 4.715,45 4.893,46 4.008,47 3.998,48 5.763,49 3.954,50 4.814,51 5.039,52 3.892,53 4.073,54 5.679,55 3.976,56 0.073,57 0.785,58 9.039,59 4.069,60 7.502,61 5.054,62 0.387,63 1.235,64 18.343,65 6.552,66 25.987,67 8.196,68 0.439,69 1.403,70 23.574,71 8.02,72 29.58,73 10.774,74 0.389,75 1.394,76 23.683,77 7.824,78 32.368,79 10.948,80 0.485,81 1.338,82 23.751,83 7.575,84 39.27,85 10.439,86 0.341,87 1.281,88 20.546,89 6.94,90 25.393,91 8.746,92 0.601,93 1.365,94 22.287,95 8.323,96 36.042,97 10.66,98 0.29,99 1.469,100 26.048,101 9.99,102 26.722,103 13.854,105 45,106 0.268,107 0.622,108 0.781,109 0.854,110 0.861,111 0.861,112 3.409,113 0.867,114 -3.65,115 -3.62,116 -3.45,119 42.9,125 5,142 7,143 2,145 2,146 2,147 1,150 1,152 1,168 1,172 6,174 4,175 7,180 2,183 6,186 2,187 6,192 2,195 4,198 2,199 8,204 1,207 1,211 4,212 11,215 1,217 1,220 2,224 4,232 1,236 6,237 9,240 3,245 2,250 6,258 3,263 4,271 4,275 1362,276 20.43,277 20.43,278 20.43,279 20.43,280 20.43,281 17.913,282 17.999,283 12.408,284 21.066,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.594,291 25.879,292 5.961,293 17.401,294 4.004,295 1.881,296 0.932,297 0.49,298 0.449,299 0.449,300 4.126,303 1,304 1,305 1,306 638,307 2.449,310 60.256,311 348.017,314 112.012,318 1.429,319 22.159,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 284,332 4.589,333 3.241,334 6.706,335 4.141,336 3.163,337 4.516,338 1.151,339 10.903,340 3.102,341 4.229,342 3.066,343 6.2,344 3.814,345 2.892,346 3.874,347 0.86,348 9.303,349 2.662,350 3.899,351 2.932,352 5.757,353 3.499,354 2.557,355 3.444,356 0.8,357 7.818,358 2.415,359 3.739,360 2.623,361 5.391,362 3.414,363 2.459,364 3.083,366 7.069,367 2.339,368 3.526,369 2.346,370 5.222,371 3.119,372 2.191,373 2.795,375 6.544,376 2.02,377 3.049,378 2.261,379 4.59,380 2.663,381 1.769,382 2.322,384 4.597,385 1.578,386 2.996,387 1.685,388 4.358,389 2.536,390 1.548,391 2.155,393 4.088,394 1.528,395 2.898,396 1.549,397 3.994,398 2.472,399 1.5,400 2.058,402 3.502,403 1.454,404 2.822,405 1.527,406 3.635,407 2.363,408 1.41,409 1.898,411 3.136,412 1.337,413 2.5,414 1.303,415 3.492,416 1.97,417 1.065,418 1.5,420 2.609,421 0.968,422 2.5,423 1.256,424 3.404,425 1.959,426 1,427 1.5,428 2.231,429 0.956,430 2.205,431 1,432 3.247,433 1.952,434 1,435 1.182,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.939,442 1,443 1,445 2.136,446 0.926,447 1.958,448 0.982,449 3.16,450 1.5,451 0.609,452 0.73,454 1.445,455 0.536,456 1.821,457 0.473,458 3.118,459 1.431,460 0.47,461 0.682,463 1.21,464 0.451,465 13.567,466 0.468,467 0.479,468 0.017,469 41.25,470 1.422,471 21,472 0.724,473 20.25,474 0.698,475 21.027,476 0.725,477 30.233,478 0.617,479 29.755,480 1.026,481 8.309,482 0.287,483 6.056,484 0.209,487 0.287,493 0.863,494 1.36,495 0.703,496 1.124,497 0.776,498 0.926,499 1.301,500 1.034,501 0.951,502 0.909,503 1.083,504 0.883,505 1.124,506 1.063,507 1.003,508 0.954,509 1.056,510 0.955,511 0.944,512 1.155,513 0.979,514 1.044,515 1.078,516 1.011,517 1.016,518 0.884,519 0.881,520 0.84,521 1.002,522 0.828,523 1.548,524 1.173,525 1.078,526 1.023,527 1.331,528 0.977,529 0.975,530 0.912,531 1.06,532 1.062,533 0.915,534 1.091,535 0.742,536 1.12,537 0.999,538 1.153,539 0.795,540 1.131,541 4,542 0.061,543 2.444,544 1.125,545 1.039,546 0.813,547 0.381,548 0.376,549 0.237,550 0.109,551 11148,552 29124,553 2.237,554 40.8,556 17,558 2,559 1,564 1.727,565 2.203,566 3.266,567 -0.302,568 1,569 1,573 78.934,574 1.611,575 3.734,576 4.683,577 5.125,578 5.166,579 5.166,580 2.641,581 4.513,582 4.828,583 3.449,584 1400.21,585 8.45,586 18987.6,588 1,590 1,591 275.121,592 0.85,593 4.832,594 0.121,595 0.002,596 0.054,597 0.026,598 0.025,599 0.019,600 0.009,601 0.009,602 0.006,603 0.003,604 0.275,605 0.33,606 0.88,608 145.648,609 -0.002,610 -0.205,611 0.082,612 -0.12,613 0.017,614 -0.025,615 -0.091,616 0.052,617 -0.045,618 0.047,619 -0.046,620 0.009,621 -0.083,622 -0.039,623 -0.054,624 0.015,625 -0.077,626 -0.009,627 -0.01,628 -0.131,629 -0.021,630 -0.089,631 -0.051,632 -0.057,633 0.059,634 0.134,635 0.108,636 0.105,637 0.103,638 0.116,639 -0.284,640 -0.125,641 -0.141,642 -0.069,643 -0.238,644 -0.074,645 0.201,646 0.115,647 -0.124,648 -0.085,649 0.113,650 -0.161,651 -0.035,652 -0.169,653 -0.052,654 -0.125,655 -0.029,656 -0.099,657 1.157,658 2.484,659 0.931,660 26.587,661 1.009,662 1.129,663 2.419,664 5.852,665 0.679,666 3.526,667 3.829,668 4.127,669 4.419,670 4.654,671 4.718,672 4.927,673 5.088,674 5.209,675 5.313,676 6.252,677 0.658,678 388.47,679 3.526,680 5.056,681 5.911,682 6.783,683 7.654,684 8.535,685 9.414,686 10.3,687 11.184,688 12.073,689 12.2,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,726 1,729 1,731 49,733 22,734 1,735 33,737 53,738 21,739 16,740 3,741 3,746 5,747 6,761 16,762 5,778 1,781 20,782 7,783 1,784 8,790 6,794 0.8,795 2,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 29,854 5,856 2,859 1,870 4.1,874 1,875 1,877 13.167,878 8.833,879 6.361,880 2.906,881 3.824,882 1.49,883 1.026,884 5.074,885 11.634,886 3.807,887 4.41,888 5.035,889 5.66,890 6.196,891 6.497,892 6.982,893 7.424,894 7.741,895 8.128,896 1,897 44,898 10.678,900 4.533,901 7.592,902 20.587,904 16.886,905 2.092,906 60.667,908 1,909 1,910 223.651,911 122.547,912 86.807,914 22,917 122.547,918 245.651,919 86.807,921 17.989,922 66.334,923 101.562,924 60.154,925 8.858,926 200.109,928 223.651,929 209.354,930 22,933 223.651,934 11,935 11,937 60.159,938 82.175,939 67.02,941 223.651,942 108.807,943 122.547,946 223.651,947 38.118,948 87.553,949 16.663,950 89.019,951 223.651,952 108.807,953 122.547,955 0.57,956 0.335,957 0.191,958 0.103,959 23,960 8,961 0.094,962 5,963 1,964 1.074,965 4.168,966 266.221,967 0.074,968 27,969 136.881,974 18.043,975 8.155,976 3.927,977 1.972,978 92.144,979 17.204,980 17.961,981 3.009,984 3.78,986 16.663,987 455.005,988 44,999 49.451,1000 55.315,1001 0.287,1002 0.665,1003 0.834,1004 0.913,1005 0.92,1006 0.92,1007 5.021,1008 1.5,1009 5.861,1010 4.088,1011 4.511,1012 5.097,1013 1.806,1014 6.648,1015 4.399,1016 6.203,1017 1.41,1018 7.391,1019 3.502,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.744,1025 7.492,1026 1.065,1027 9.025,1028 3.136,1029 6.066,1030 7.305,1031 1.802,1032 10.614,1033 5.86,1034 8.822,1035 1,1036 10.725,1037 2.609,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.117,1043 10.189,1044 1,1045 12.469,1046 2.231,1047 7.912,1048 9.837,1049 1.906,1050 14.959,1051 7.632,1052 11.583,1053 1,1054 14.244,1055 2.136,1056 8.626,1057 10.866,1058 0.188,1059 17.048,1060 8.331,1061 12.998,1062 0.609,1063 16.041,1064 2.136,1065 9.929,1066 12.56,1067 2.069,1068 19.5,1069 9.595,1070 3.163,1071 0.47,1072 17.854,1073 1.445,1074 10.856,1075 13.822,1076 0.125,1077 21.746,1078 10.511,1079 2.892,1080 10.903,1081 19.681,1082 1.21,1083 12.049,1084 15.4,1085 2.272,1086 24.142,1087 11.674,1088 2.557,1089 9.303,1090 21.517,1091 4.516,1092 13.08,1093 16.779,1094 0.082,1095 26.458,1096 12.695,1097 2.459,1098 7.818,1099 23.362,1100 3.874,1101 14.229,1102 18.307,1103 2.501,1104 28.838,1105 13.822,1106 2.191,1107 7.069,1108 25.214,1109 3.444,1110 15.311,1111 19.746,1112 0.054,1113 31.187,1114 14.893,1115 1.769,1116 6.544,1117 27.072,1118 3.083,1119 16.445,1120 21.254,1121 2.746,1122 33.564,1123 16.011,1124 1.548,1125 4.597,1126 28.934,1127 2.795,1128 17.553,1129 22.724,1130 0.035,1131 35.929,1132 17.108,1133 10201,1134 16638,1135 23.345,1136 33.273,1137 49.463,1138 49.65,1139 49.224,1140 49.272,1141 49.266,1142 65.483,1143 5.622,1144 137.449,1145 46.436,1146 5.589,1147 5.241,1148 6.508,1149 5.245,1150 5.163,1151 7.516,1152 2.302,1153 18.126,1154 5.102,1156 1.499,1157 1.505,1158 1.492,1159 1.493,1160 1.493,1161 1.984,1162 0.17,1163 4.165,1164 1.407,1165 4.123,1166 4.162,1167 4.091,1168 4.022,1169 5.125,1170 4.034,1171 3.902,1172 3.948,1173 3.849,1174 3.768,1175 4.998,1176 3.777,1177 3.834,1178 3.886,1179 3.774,1180 3.647,1181 4.874,1182 3.677,1183 3.653,1184 3.699,1185 3.555,1186 3.456,1187 4.608,1188 3.472,1189 3.34,1190 3.407,1191 3.251,1192 3.155,1193 4.426,1194 3.169,1195 3.205,1196 3.253,1197 3.086,1198 3.023,1199 4.319,1200 3.026,1201 3.111,1202 3.206,1203 2.894,1204 2.941,1205 3.9,1206 2.91,1207 2.974,1208 3.027,1209 2.866,1210 2.813,1211 3.834,1212 2.825,1213 0.139,1214 0.098,1215 0.203,1216 0.125,1217 0.096,1218 4.589,1219 0.137,1220 3.241,1221 0.035,1222 6.706,1223 0.33,1224 4.141,1225 0.094,1226 3.163,1227 4.516,1228 1.151,1229 10.903,1230 3.102,1231 1.977,1232 1.956,1233 2.046,1234 2.08,1235 1.212,1236 2.067,1237 1.839,1238 1.802,1239 1.962,1240 1.977,1241 1.177,1242 1.974,1243 1.743,1244 1.691,1245 1.92,1246 1.957,1247 1.021,1248 1.95,1249 1.569,1250 1.526,1251 1.694,1252 1.781,1253 0.825,1254 1.757,1255 1.296,1256 1.221,1257 1.513,1258 1.617,1259 0.736,1260 1.57,1261 1.16,1262 1.106,1263 1.455,1264 1.394,1265 0.59,1266 1.429,1267 1.153,1268 1.064,1269 1.407,1270 1.376,1271 0.385,1272 1.4,1273 1.016,1274 0.958,1275 1.222,1276 1.187,1277 0.28,1278 1.208,1279 4.205,1281 5.509,1282 2.398,1283 7.018,1284 4.595,1285 8.619,1286 6.605,1287 10.268,1295 3.165,1297 11.454,1300 2.121,1305 32.246,1306 78.934,1307 182.966,1308 229.469,1309 251.121,1310 253.121,1311 253.121,1312 33.633,1313 7.81,1314 89.05,1315 89.05,1316 29,1317 12.604,1318 4.524,1319 3.585,1320 39.274,1321 108,1322 116,1323 0.175,1324 194.727,1325 323.64,1326 466.894,1327 26009,1329 19.468,1330 0.671,1331 0.544,1332 19.468,1333 15.784,1334 14.365,1335 0.435,1336 0.289,1337 9.357,1338 13.665,1339 9.222,1340 7.57,1341 14.365,1342 9.537,1343 12.522,1344 0.278,1345 0.15,1346 12.522,1347 6.737,1348 10.888,1349 0.178,1350 0.079,1351 10.888,1352 4.84,1353 9.46,1354 0.115,1355 0.041,1356 9.46,1357 3.352,1358 7.763,1359 0.075,1360 0.021,1361 7.763,1362 2.219,1363 0.269,1364 90.9,1365 0.207,1366 27.272,1367 0.498,1368 156,1369 470.029,1370 174.05,1371 448.377,1372 627.21,1373 426,1374 184,1375 472.106,1376 203.051,1377 474.013,1378 696.76,1379 447,1380 6.301}
{0 CHEMBL1644588,1 1.453,2 13.028,3 5.425,4 29.431,5 144.299,6 7.447,7 0.683,8 4.268,9 4.391,10 3.855,11 3.837,12 5.325,13 3.818,14 4.801,15 4.97,16 4.193,17 4.231,18 5.82,19 4.189,20 5.038,21 5.259,22 4.194,23 4.354,24 5.954,25 4.271,26 5.027,27 5.255,28 4.124,29 4.331,30 5.934,31 4.226,32 5.04,33 5.283,34 4.153,35 4.303,36 5.942,37 4.211,38 5.006,39 5.229,40 4.191,41 4.299,42 5.954,43 4.229,44 5.038,45 5.259,46 4.183,47 4.341,48 5.974,49 4.253,50 5.11,51 5.354,52 4.145,53 4.367,54 5.961,55 4.253,56 0.041,57 0.973,58 12.872,59 5.495,60 9.359,61 7.308,62 0.295,63 1.6,64 24.327,65 9.273,66 26.762,67 12.38,68 0.367,69 1.927,70 33.284,71 11.908,72 34.917,73 16.707,74 0.296,75 1.922,76 32.608,77 12.322,78 35.551,79 17.504,80 0.303,81 1.918,82 34.041,83 12.128,84 38.685,85 17.533,86 0.344,87 1.92,88 32.072,89 10.867,90 37.209,91 15.432,92 0.362,93 1.947,94 32.905,95 11.75,96 38.467,97 16.715,98 0.289,99 1.992,100 36.688,101 14.122,102 37.353,103 20.009,105 56,106 0.228,107 0.555,108 0.742,109 0.866,110 0.882,111 0.882,112 3.616,113 0.904,114 -5.02,115 -4.92,116 -4.61,119 45.3,121 1,125 5,142 12,143 4,145 1,146 2,147 1,150 1,151 1,152 1,172 14,174 2,175 7,178 2,180 4,183 18,186 1,187 3,192 2,195 17,198 1,199 6,202 2,204 5,207 12,211 1,212 7,217 5,220 9,223 2,224 9,229 5,232 9,236 1,237 8,240 1,242 3,245 6,249 1,250 12,253 1,255 3,258 6,263 9,268 1,271 7,275 2758,276 25.308,277 25.308,278 25.308,279 25.308,280 25.308,281 22.151,282 20.167,283 15.312,284 25.891,285 20.351,286 20.351,287 20.351,288 20.351,289 20.351,290 15.58,291 30.354,292 7.37,293 21.278,294 4.547,295 2.463,296 1.27,297 0.481,298 0.375,299 0.375,300 4.34,305 1,306 1058,307 2.828,310 89.817,311 570.561,314 152.382,318 1.977,319 20.989,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 76,331 469,332 4.476,333 3.185,334 6.36,335 4.043,336 3.064,337 4.391,338 0.86,339 9.848,340 3.016,341 4.364,342 3.021,343 6.264,344 3.936,345 2.974,346 4.054,347 0.8,348 9.51,349 2.863,350 4.108,351 2.847,352 6.074,353 3.718,354 2.754,355 3.697,356 0.4,357 8.844,358 2.647,359 3.897,360 2.738,361 5.912,362 3.505,363 2.547,364 3.444,366 8.273,367 2.441,368 3.802,369 2.626,370 5.352,371 3.488,372 2.517,373 3.173,375 6.99,376 2.435,377 3.572,378 2.41,379 5.284,380 3.219,381 2.29,382 2.817,384 6.765,385 2.114,386 3.165,387 2.26,388 4.587,389 2.743,390 1.801,391 2.45,393 4.786,394 1.708,395 3.034,396 1.752,397 4.416,398 2.612,399 1.662,400 2.301,402 4.342,403 1.565,404 2.945,405 1.621,406 4.333,407 2.522,408 1.539,409 2.107,411 4.14,412 1.507,413 2.905,414 1.534,415 4.07,416 2.509,417 1.534,418 1.978,420 3.361,421 1.493,422 2.722,423 1.457,424 3.676,425 2.239,426 1.267,427 1.82,428 3.212,429 1.229,430 2.557,431 1.256,432 3.495,433 2.101,434 1.146,435 1.583,436 2.627,437 1.09,438 2.5,439 1.229,440 3.476,441 1.978,442 1,443 1.5,445 2.484,446 0.976,447 2.5,448 1.149,449 3.426,450 1.967,451 1,452 1.5,454 2.323,455 0.965,456 2.229,457 1.035,458 3.319,459 1.953,460 1,461 1.202,463 2.257,464 0.95,465 17.233,466 0.479,467 0.615,468 0.017,469 51.25,470 1.424,471 27,472 0.75,473 24.25,474 0.674,475 28.592,476 0.794,477 36.767,478 0.574,479 39.276,480 1.091,481 10.139,482 0.282,483 7.676,484 0.213,487 0.284,493 0.943,494 1.3,495 0.777,496 1.03,497 0.853,498 0.907,499 1.261,500 1.028,501 0.976,502 0.953,503 0.994,504 0.942,505 1.195,506 0.993,507 1.031,508 0.912,509 1.128,510 0.944,511 0.778,512 1.053,513 1.047,514 1.078,515 1.101,516 1.085,517 0.866,518 1.07,519 0.908,520 0.947,521 0.94,522 0.926,523 1.211,524 1.05,525 1.04,526 0.94,527 1.075,528 0.954,529 0.999,530 1.096,531 1.073,532 1.041,533 1.05,534 1.052,535 0.78,536 1.001,537 0.934,538 1.031,539 0.788,540 1.007,541 5.5,542 0.125,543 3.111,544 1.319,545 1.306,546 1.239,547 0.416,548 0.347,549 0.437,550 0.223,551 21782,552 50345,553 2.238,554 43.8,556 22,557 1,558 1,559 2,560 2,564 1.779,565 2.204,566 3.679,567 0.121,573 93.003,574 1.453,575 3.537,576 4.73,577 5.519,578 5.625,579 5.625,580 3.126,581 4.274,582 5.138,583 3.854,584 2427.84,585 9.059,586 39236.1,591 384,592 0.852,593 5.144,594 0.134,595 0.003,596 0.056,597 0.024,598 0.026,599 0.024,600 0.008,601 0.007,602 0.009,603 0.005,604 0.294,605 0.17,606 0.75,608 196.589,609 -0.024,610 -0.169,611 0.071,612 -0.046,613 -0.012,614 0.013,615 -0.016,616 0.068,617 -0.05,618 0.005,619 0.026,620 -0.027,621 -0.12,622 0.04,623 -0.061,624 0.054,625 -0.116,626 0.011,627 0.016,628 -0.029,629 -0.095,630 -0.102,631 -0.139,632 -0.11,633 0.031,634 -0.06,635 0.075,636 0.022,637 0.044,638 0.05,639 -0.108,640 0.026,641 -0.065,642 -0.006,643 -0.041,644 -0.024,645 -0.007,646 -0.047,647 -0.112,648 -0.084,649 -0.043,650 -0.102,651 0.061,652 -0.043,653 0.046,654 -0.029,655 0.114,657 1.039,658 2.059,659 0.917,660 43.769,661 0.995,662 1.121,663 3.794,664 14.391,665 0.685,666 3.738,667 4.043,668 4.331,669 4.605,670 4.852,671 4.927,672 5.13,673 5.283,674 5.416,675 5.565,676 7.873,677 0.651,678 476.63,679 3.738,680 5.273,681 6.125,682 6.993,683 7.858,684 8.733,685 9.605,686 10.483,687 11.359,688 12.24,689 9.4,694 1,695 1,697 1,699 3,703 2,704 14,705 3,706 1,709 7,711 28,724 1,726 1,731 64,733 28,734 2,735 41,737 69,738 29,739 23,740 5,741 7,746 6,747 7,758 1,761 23,762 6,781 28,782 6,783 2,784 7,790 6,794 0.833,795 1,805 1,806 1,807 1,811 1,812 5,815 1,839 1,840 5,848 36,854 6,855 1,856 1,859 1,870 1.6,874 1,877 16.333,878 11.383,879 7.861,880 3.907,881 5.017,882 1.585,883 1.044,884 6.619,885 13.59,886 4.025,887 4.632,888 5.25,889 5.861,890 6.418,891 6.726,892 7.23,893 7.678,894 8.042,895 8.5,896 0.889,897 55,898 13.281,900 5.638,901 7.486,902 26.008,904 21.668,905 1.986,906 71.5,910 306.049,911 173.861,912 88.277,914 11,917 173.861,918 317.049,919 88.277,921 18.036,922 122.762,923 91.138,924 46.6,925 18.142,926 282.506,928 306.049,929 262.138,930 11,933 306.049,935 11,937 51.282,938 142.488,939 68.367,941 306.049,942 99.277,943 173.861,946 306.049,947 42.051,948 134.934,949 34.796,950 61.356,951 306.049,952 99.277,953 173.861,955 0.572,956 0.334,957 0.186,958 0.101,959 28,960 10,961 0.101,962 7,963 1,964 1.061,965 4.831,966 354.469,967 0.061,968 33,969 182.117,974 22.719,975 10.489,976 5.281,977 2.344,978 82.492,979 29.007,980 14.16,981 3.31,984 6.868,986 34.796,987 579.186,988 55,999 63.658,1000 71.766,1001 0.242,1002 0.59,1003 0.788,1004 0.92,1005 0.938,1006 0.938,1007 5.242,1008 1.662,1009 6.075,1010 4.786,1011 4.727,1012 5.321,1013 1.324,1014 6.849,1015 4.647,1016 6.427,1017 1.539,1018 7.599,1019 4.342,1020 4.111,1021 4.956,1022 0.325,1023 7.627,1024 4.004,1025 7.715,1026 1.534,1027 9.223,1028 4.14,1029 6.279,1030 7.519,1031 0.958,1032 10.736,1033 6.132,1034 9.041,1035 1.267,1036 10.908,1037 3.361,1038 6.538,1039 8.044,1040 0.268,1041 12.366,1042 6.37,1043 10.402,1044 1.146,1045 12.633,1046 3.212,1047 8.101,1048 10.012,1049 0.736,1050 14.939,1051 7.899,1052 11.786,1053 1,1054 14.384,1055 2.627,1056 8.779,1057 10.974,1058 0.188,1059 16.915,1060 8.558,1061 13.189,1062 1,1063 16.154,1064 2.484,1065 10.076,1066 12.671,1067 0.57,1068 19.292,1069 9.825,1070 3.064,1071 1,1072 17.937,1073 2.323,1074 10.961,1075 13.863,1076 0.125,1077 21.42,1078 10.693,1079 2.974,1080 9.848,1081 19.73,1082 2.257,1083 12.138,1084 15.43,1085 0.439,1086 23.722,1087 11.844,1088 2.754,1089 9.51,1090 21.53,1091 4.391,1092 13.128,1093 16.746,1094 0.082,1095 25.919,1096 12.815,1097 2.547,1098 8.844,1099 23.335,1100 4.054,1101 14.253,1102 18.251,1103 0.334,1104 28.193,1105 13.917,1106 2.517,1107 8.273,1108 25.145,1109 3.697,1110 15.295,1111 19.633,1112 0.054,1113 30.423,1114 14.941,1115 2.29,1116 6.99,1117 26.959,1118 3.444,1119 16.399,1120 21.111,1121 0.252,1122 32.687,1123 16.025,1124 1.801,1125 6.765,1126 28.775,1127 3.173,1128 17.468,1129 22.529,1130 0.035,1131 34.934,1132 17.076,1133 19663,1134 30048,1135 29.008,1136 43.864,1137 61.422,1138 61.386,1139 60.803,1140 61.034,1141 61.008,1142 81.539,1143 4.12,1144 170.081,1145 58.48,1146 5.476,1147 5.185,1148 6.162,1149 5.146,1150 5.064,1151 7.391,1152 1.72,1153 16.489,1154 5.016,1156 1.498,1157 1.497,1158 1.483,1159 1.489,1160 1.488,1161 1.989,1162 0.1,1163 4.148,1164 1.426,1165 4.14,1166 4.172,1167 4.097,1168 4.069,1169 5.032,1170 4.072,1171 3.979,1172 4.025,1173 3.937,1174 3.871,1175 4.963,1176 3.879,1177 3.881,1178 3.924,1179 3.814,1180 3.78,1181 4.881,1182 3.783,1183 3.802,1184 3.848,1185 3.73,1186 3.645,1187 4.675,1188 3.663,1189 3.64,1190 3.699,1191 3.543,1192 3.435,1193 4.603,1194 3.452,1195 3.423,1196 3.49,1197 3.297,1198 3.28,1199 4.238,1200 3.275,1201 3.344,1202 3.399,1203 3.233,1204 3.222,1205 4.119,1206 3.217,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.963,1212 2.91,1213 0.109,1214 0.078,1215 0.155,1216 0.099,1217 0.075,1218 4.476,1219 0.107,1220 3.185,1221 0.021,1222 6.36,1223 0.24,1224 4.043,1225 0.074,1226 3.064,1227 4.391,1228 0.86,1229 9.848,1230 3.016,1231 2.023,1232 2.003,1233 2.1,1234 2.099,1235 1.245,1236 2.098,1237 1.874,1238 1.838,1239 1.998,1240 2.025,1241 1.204,1242 2.016,1243 1.848,1244 1.811,1245 1.959,1246 1.982,1247 1.166,1248 1.982,1249 1.73,1250 1.683,1251 1.896,1252 1.892,1253 1.04,1254 1.894,1255 1.566,1256 1.511,1257 1.744,1258 1.777,1259 0.838,1260 1.77,1261 1.48,1262 1.417,1263 1.657,1264 1.696,1265 0.825,1266 1.692,1267 1.406,1268 1.343,1269 1.617,1270 1.592,1271 0.718,1272 1.609,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.649,1278 1.429,1279 4.419,1281 5.727,1282 2.398,1283 7.233,1284 4.595,1285 8.826,1286 6.581,1287 10.464,1295 4.564,1296 3.422,1297 5.559,1300 2.266,1305 41.638,1306 93.003,1307 226.393,1308 302.716,1309 353.245,1310 360,1311 360,1312 42.866,1313 8.574,1314 78.96,1315 78.96,1316 35,1317 12.776,1318 4.858,1319 3.907,1320 48.804,1321 164,1322 186,1323 0.136,1324 251.294,1325 422.07,1326 604.917,1327 72734,1329 24.158,1330 0.671,1331 0.556,1332 24.158,1333 20.023,1334 17.815,1335 0.435,1336 0.301,1337 12.201,1338 17.237,1339 11.985,1340 9.866,1341 17.815,1342 12.353,1343 15.637,1344 0.279,1345 0.159,1346 15.637,1347 8.893,1348 13.563,1349 0.181,1350 0.086,1351 13.563,1352 6.485,1353 11.606,1354 0.117,1355 0.046,1356 11.606,1357 4.55,1358 9.573,1359 0.075,1360 0.024,1361 9.573,1362 3.087,1363 0.215,1364 110.643,1365 0.186,1366 33.078,1367 0.373,1368 194,1369 492.982,1370 208.785,1371 485.538,1372 689.17,1373 462,1374 228,1375 524.214,1376 243.091,1377 533.507,1378 782.4,1379 506,1380 5.051}
{0 CHEMBL1644589,1 1.503,2 11.067,3 3.765,4 14.171,5 119.74,6 7.417,7 0.647,8 4.105,9 4.232,10 3.686,11 3.635,12 5.157,13 3.624,14 4.645,15 4.824,16 4.015,17 4.025,18 5.657,19 3.989,20 4.865,21 5.091,22 3.994,23 4.136,24 5.769,25 4.055,26 4.854,27 5.097,28 3.904,29 4.087,30 5.741,31 3.984,32 4.83,33 5.085,34 3.922,35 4.023,36 5.738,37 3.94,38 4.765,39 4.992,40 3.96,41 4.009,42 5.712,43 3.956,44 4.811,45 5.036,46 3.956,47 4.08,48 5.763,49 3.997,50 4.9,51 5.148,52 3.901,53 4.12,54 5.718,55 4.003,56 0.026,57 0.855,58 11.128,59 4.51,60 8.055,61 6.13,62 0.289,63 1.373,64 21.374,65 7.574,66 24.553,67 10.345,68 0.326,69 1.599,70 28.384,71 9.625,72 29.511,73 13.894,74 0.258,75 1.583,76 28.189,77 9.709,78 30.909,79 14.33,80 0.347,81 1.531,82 28.286,83 8.926,84 35.908,85 13.431,86 0.257,87 1.499,88 25.504,89 7.581,90 28.26,91 11.318,92 0.466,93 1.549,94 26.633,95 8.883,96 36.617,97 12.821,98 0.182,99 1.572,100 29.957,101 11.141,102 27.715,103 16.122,105 46,106 0.246,107 0.604,108 0.787,109 0.869,110 0.869,111 0.869,112 3.441,113 0.906,114 -4.02,115 -3.97,116 -3.76,119 42.6,121 1,125 5,142 7,143 3,145 2,146 1,147 1,150 1,151 1,152 1,172 8,174 2,175 6,178 2,180 4,183 8,186 1,187 4,192 3,195 7,198 1,199 5,202 1,204 4,207 2,211 1,212 8,215 2,217 4,220 1,224 6,229 1,232 3,236 3,237 6,240 3,241 1,242 1,245 4,250 5,255 1,258 5,262 1,263 5,268 1,271 6,275 1558,276 21.085,277 21.085,278 21.085,279 21.085,280 21.085,281 18.588,282 20.167,283 12.83,284 21.666,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.103,291 30.354,292 6.186,293 17.796,294 4.252,295 2.063,296 0.947,297 0.444,298 0.444,299 0.444,300 4.158,304 1,305 1,306 745,307 2.646,310 73.15,311 373.474,314 123.674,318 1.604,319 18.648,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 332,332 4.478,333 3.186,334 6.355,335 4.03,336 3.063,337 4.393,338 0.86,339 9.832,340 2.978,341 4.272,342 2.975,343 6.177,344 3.838,345 2.887,346 3.938,347 0.8,348 9.207,349 2.738,350 3.897,351 2.758,352 5.942,353 3.532,354 2.584,355 3.444,356 0.4,357 8.377,358 2.495,359 3.833,360 2.69,361 5.352,362 3.512,363 2.524,364 3.21,366 6.988,367 2.445,368 3.566,369 2.416,370 5.28,371 3.211,372 2.284,373 2.809,375 6.75,376 2.104,377 3.034,378 2.26,379 4.495,380 2.701,381 1.783,382 2.301,384 4.56,385 1.637,386 2.998,387 1.674,388 4.379,389 2.509,390 1.547,391 2.151,393 4.243,394 1.494,395 2.925,396 1.549,397 4.202,398 2.501,399 1.534,400 2.091,402 3.77,403 1.473,404 2.825,405 1.534,406 3.676,407 2.379,408 1.424,409 1.904,411 3.222,412 1.352,413 2.526,414 1.309,415 3.493,416 2.044,417 1.114,418 1.539,420 2.62,421 1.033,422 2.5,423 1.256,424 3.434,425 1.965,426 1,427 1.5,428 2.356,429 0.962,430 2.232,431 1.143,432 3.319,433 1.952,434 1,435 1.207,436 2.256,437 0.949,438 2.179,439 1.017,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.908,451 1,452 1,454 2.136,455 0.901,456 1.901,457 0.41,458 3.04,459 1.381,460 0.409,461 0.609,463 1.011,464 0.397,465 14.233,466 0.474,467 0.496,468 0.017,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.794,476 0.76,477 31.367,478 0.581,479 29.666,480 0.989,481 8.261,482 0.275,483 6.587,484 0.22,487 0.274,493 0.958,494 1.414,495 0.781,496 1.097,497 0.826,498 0.942,499 1.289,500 1.02,501 0.989,502 0.943,503 1.015,504 0.936,505 1.141,506 1.063,507 1.035,508 0.965,509 1.075,510 0.983,511 0.812,512 1.114,513 1.03,514 1.085,515 1.113,516 1.077,517 0.904,518 1.01,519 0.918,520 0.9,521 0.993,522 0.897,523 1.345,524 1.204,525 1.056,526 0.963,527 1.178,528 0.954,529 0.923,530 0.868,531 1.115,532 0.986,533 1.052,534 1.052,535 0.766,536 1.13,537 0.929,538 1.124,539 0.695,540 1.064,541 4.5,542 0.064,543 2.444,544 1.069,545 1.084,546 0.934,547 0.373,548 0.259,549 0.337,550 0.167,551 12947,552 30749,553 2.228,554 44.4,556 17,557 1,558 2,559 2,561 2,564 1.733,565 2.195,566 3.448,567 0.21,569 1,573 81.173,574 1.503,575 3.692,576 4.807,577 5.31,578 5.31,579 5.31,580 2.874,581 4.082,582 4.875,583 3.619,584 1574.38,585 8.533,586 22261.6,588 1,591 310.764,592 0.837,593 4.881,594 0.132,595 0.002,596 0.053,597 0.024,598 0.028,599 0.023,600 0.009,601 0.006,602 0.009,603 0.005,604 0.292,605 0.33,606 0.88,608 154.091,609 -0.041,610 -0.236,611 0.073,612 -0.079,613 0.015,614 -0.002,615 -0.048,616 0.093,617 -0.053,618 0.026,619 0.018,620 -0.014,621 -0.108,622 -0.04,623 -0.069,624 0.01,625 -0.105,626 -0.021,627 -0.011,628 -0.098,629 -0.069,630 -0.113,631 -0.141,632 -0.101,633 0.06,634 0.006,635 0.076,636 0.042,637 0.045,638 0.06,639 -0.211,640 -0.116,641 -0.078,642 -0.045,643 -0.113,644 -0.04,645 0.12,646 0.209,647 -0.153,648 -0.043,649 -0.01,650 -0.118,651 0.025,652 -0.192,653 0.038,654 -0.107,655 0.118,656 -0.045,657 1.024,658 2.009,659 0.9,660 31.524,661 0.998,662 1.128,663 2.789,664 7.779,665 0.673,666 3.555,667 3.85,668 4.127,669 4.394,670 4.625,671 4.691,672 4.883,673 5.037,674 5.153,675 5.288,676 6.839,677 0.64,678 400.53,679 3.555,680 5.081,681 5.927,682 6.79,683 7.65,684 8.521,685 9.388,686 10.263,687 11.136,688 12.014,689 11.1,694 1,695 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,724 1,726 1,731 54,733 22,734 1,735 34,737 58,738 23,739 17,740 3,741 3,746 5,747 6,758 1,761 17,762 6,778 1,781 24,782 6,783 2,784 7,790 6,794 0.8,795 1,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.55,879 6.583,880 3.278,881 3.772,882 1.48,883 1.033,884 5.599,885 11.623,886 3.829,887 4.422,888 5.026,889 5.627,890 6.158,891 6.456,892 6.936,893 7.379,894 7.685,895 8.116,896 1,897 44,898 11.064,900 4.669,901 7.506,902 21.631,904 17.886,905 2.006,906 60.167,908 1,909 1,910 258.964,911 129.584,912 88.277,914 11,917 129.584,918 269.964,919 88.277,921 18.036,922 75.381,923 102.909,924 49.706,925 18.142,926 223.651,928 258.964,929 217.862,930 11,933 235.422,934 23.542,935 11,937 57.573,938 91.922,939 68.367,941 258.964,942 99.277,943 129.584,946 258.964,947 36.108,948 96.6,949 34.796,950 61.356,951 258.964,952 99.277,953 129.584,955 0.57,956 0.33,957 0.183,958 0.098,959 23,960 8,961 0.103,962 6,963 1,964 1.074,965 4.334,966 271.623,967 0.074,968 27,969 143.207,974 19.042,975 8.821,976 4.479,977 2.293,978 82.492,979 20.192,980 13.781,981 3.283,984 4.735,986 34.796,987 487.826,988 45,999 53.891,1000 60.936,1001 0.261,1002 0.642,1003 0.835,1004 0.923,1005 0.923,1006 0.923,1007 5.04,1008 1.534,1009 5.872,1010 4.243,1011 4.533,1012 5.109,1013 1.324,1014 6.635,1015 4.437,1016 6.217,1017 1.424,1018 7.388,1019 3.77,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.771,1025 7.501,1026 1.114,1027 9.004,1028 3.222,1029 6.071,1030 7.3,1031 0.958,1032 10.499,1033 5.895,1034 8.823,1035 1,1036 10.682,1037 2.62,1038 6.312,1039 7.841,1040 0.268,1041 12.117,1042 6.115,1043 10.18,1044 1,1045 12.401,1046 2.356,1047 7.882,1048 9.799,1049 0.736,1050 14.687,1051 7.637,1052 11.562,1053 1,1054 14.147,1055 2.256,1056 8.547,1057 10.781,1058 0.188,1059 16.657,1060 8.28,1061 12.964,1062 1,1063 15.912,1064 2.136,1065 9.847,1066 12.472,1067 0.57,1068 19.032,1069 9.538,1070 3.063,1071 0.409,1072 17.691,1073 2.136,1074 10.725,1075 13.684,1076 0.125,1077 21.157,1078 10.391,1079 2.887,1080 9.832,1081 19.48,1082 1.011,1083 11.903,1084 15.25,1085 0.439,1086 23.457,1087 11.532,1088 2.584,1089 9.207,1090 21.276,1091 4.393,1092 12.889,1093 16.582,1094 0.082,1095 25.653,1096 12.491,1097 2.524,1098 8.377,1099 23.079,1100 3.938,1101 14.014,1102 18.09,1103 0.334,1104 27.927,1105 13.583,1106 2.284,1107 6.988,1108 24.886,1109 3.444,1110 15.054,1111 19.486,1112 0.054,1113 30.157,1114 14.594,1115 1.783,1116 6.75,1117 26.698,1118 3.21,1119 16.159,1120 20.968,1121 0.252,1122 32.421,1123 15.668,1124 1.547,1125 4.56,1126 28.512,1127 2.809,1128 17.227,1129 22.398,1130 0.035,1131 34.669,1132 16.707,1133 11818,1134 18344,1135 24.038,1136 36.341,1137 50.632,1138 50.622,1139 50.123,1140 50.328,1141 50.308,1142 66.48,1143 4.12,1144 138.929,1145 47.808,1146 5.478,1147 5.186,1148 6.157,1149 5.133,1150 5.063,1151 7.393,1152 1.72,1153 16.407,1154 4.978,1156 1.489,1157 1.489,1158 1.474,1159 1.48,1160 1.48,1161 1.955,1162 0.121,1163 4.086,1164 1.406,1165 4.131,1166 4.167,1167 4.089,1168 4.047,1169 5.046,1170 4.053,1171 3.922,1172 3.975,1173 3.865,1174 3.799,1175 4.912,1176 3.804,1177 3.861,1178 3.908,1179 3.801,1180 3.704,1181 4.889,1182 3.727,1183 3.672,1184 3.729,1185 3.568,1186 3.466,1187 4.609,1188 3.481,1189 3.446,1190 3.518,1191 3.329,1192 3.278,1193 4.285,1194 3.281,1195 3.306,1196 3.367,1197 3.192,1198 3.156,1199 4.123,1200 3.156,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.931,1206 2.91,1207 2.958,1208 3.028,1209 2.845,1210 2.82,1211 3.831,1212 2.818,1213 0.132,1214 0.094,1215 0.187,1216 0.119,1217 0.09,1218 4.478,1219 0.129,1220 3.186,1221 0.025,1222 6.355,1223 0.289,1224 4.03,1225 0.088,1226 3.063,1227 4.393,1228 0.86,1229 9.832,1230 2.978,1231 1.976,1232 1.952,1233 2.051,1234 2.086,1235 1.223,1236 2.074,1237 1.868,1238 1.828,1239 2.002,1240 1.993,1241 1.191,1242 1.999,1243 1.766,1244 1.716,1245 1.928,1246 1.962,1247 1.167,1248 1.956,1249 1.578,1250 1.524,1251 1.738,1252 1.804,1253 0.825,1254 1.787,1255 1.48,1256 1.415,1257 1.661,1258 1.696,1259 0.815,1260 1.692,1261 1.392,1262 1.323,1263 1.608,1264 1.595,1265 0.744,1266 1.609,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.637,1272 1.429,1273 0.998,1274 0.949,1275 1.188,1276 1.175,1277 0.294,1278 1.184,1279 4.234,1281 5.533,1282 2.398,1283 7.031,1284 4.595,1285 8.616,1286 6.581,1287 10.246,1295 4.716,1296 3.399,1297 5.509,1300 2.258,1305 34.584,1306 81.173,1307 199.364,1308 259.603,1309 286.764,1310 286.764,1311 286.764,1312 34.378,1313 7.851,1314 78.96,1315 78.96,1316 29,1317 12.552,1318 4.524,1319 3.585,1320 41.371,1321 122,1322 132,1323 0.162,1324 209.915,1325 349.45,1326 503.953,1327 28093,1329 20.175,1330 0.673,1331 0.557,1332 20.175,1333 16.713,1334 14.848,1335 0.437,1336 0.302,1337 10.118,1338 14.268,1339 9.954,1340 8.187,1341 14.848,1342 10.271,1343 12.951,1344 0.282,1345 0.16,1346 12.951,1347 7.352,1348 11.141,1349 0.183,1350 0.087,1351 11.141,1352 5.318,1353 9.483,1354 0.119,1355 0.046,1356 9.483,1357 3.688,1358 7.698,1359 0.076,1360 0.024,1361 7.698,1362 2.438,1363 0.252,1364 92.89,1365 0.204,1366 28.407,1367 0.447,1368 160,1369 424.982,1370 174.452,1371 414.246,1372 583.55,1373 394,1374 187,1375 439.862,1376 201.925,1377 446.051,1378 653.22,1379 422,1380 5.143}
{0 CHEMBL1644590,1 1.503,2 11.067,3 3.765,4 14.171,5 119.74,6 7.417,7 0.647,8 4.105,9 4.232,10 3.686,11 3.635,12 5.157,13 3.624,14 4.645,15 4.824,16 4.015,17 4.025,18 5.658,19 3.989,20 4.865,21 5.092,22 3.992,23 4.14,24 5.765,25 4.058,26 4.85,27 5.089,28 3.905,29 4.098,30 5.734,31 3.991,32 4.85,33 5.111,34 3.921,35 4.028,36 5.744,37 3.943,38 4.768,39 4.997,40 3.961,41 4.006,42 5.722,43 3.955,44 4.802,45 5.023,46 3.952,47 4.079,48 5.747,49 3.998,50 4.903,51 5.151,52 3.904,53 4.123,54 5.738,55 4.007,56 0.026,57 0.855,58 11.128,59 4.51,60 8.055,61 6.13,62 0.289,63 1.373,64 21.374,65 7.574,66 24.887,67 10.345,68 0.334,69 1.597,70 28.409,71 9.635,72 29.491,73 13.89,74 0.228,75 1.578,76 27.842,77 9.964,78 29.139,79 14.597,80 0.331,81 1.549,82 29.112,83 9.105,84 35.962,85 13.799,86 0.301,87 1.506,88 25.71,89 7.496,90 30.145,91 11.194,92 0.411,93 1.536,94 26.229,95 8.734,96 33.624,97 12.649,98 0.248,99 1.583,100 30.109,101 11.144,102 31.619,103 16.05,105 46,106 0.246,107 0.604,108 0.775,109 0.845,110 0.845,111 0.845,112 3.441,113 0.906,114 -4.02,115 -3.97,116 -3.76,119 42.6,121 1,125 5,142 7,143 3,145 2,146 1,147 1,150 1,151 1,152 1,172 8,174 2,175 6,178 2,180 4,183 9,186 1,187 3,192 3,195 6,198 1,199 6,202 1,204 5,207 2,211 1,212 8,215 1,217 3,220 1,224 8,227 1,229 1,232 3,236 1,237 4,240 3,241 1,242 1,245 4,249 2,250 6,255 1,258 7,263 2,268 1,271 6,275 1558,276 21.085,277 21.085,278 21.085,279 21.085,280 21.085,281 18.588,282 20.167,283 12.83,284 21.675,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.103,291 30.354,292 6.186,293 17.801,294 4.252,295 2.063,296 1.022,297 0.593,298 0.593,299 0.593,300 4.158,304 1,305 1,306 745,307 2.646,310 73.15,311 373.474,314 123.674,318 1.604,319 18.451,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 332,332 4.478,333 3.186,334 6.355,335 4.03,336 3.063,337 4.393,338 0.86,339 9.832,340 2.978,341 4.272,342 2.975,343 6.177,344 3.838,345 2.887,346 3.938,347 0.8,348 9.207,349 2.738,350 3.897,351 2.758,352 5.942,353 3.532,354 2.584,355 3.444,356 0.4,357 8.377,358 2.505,359 3.833,360 2.69,361 5.352,362 3.515,363 2.524,364 3.21,366 6.988,367 2.445,368 3.566,369 2.416,370 5.28,371 3.211,372 2.284,373 2.809,375 6.75,376 2.105,377 3.034,378 2.26,379 4.495,380 2.701,381 1.783,382 2.301,384 4.56,385 1.636,386 2.998,387 1.674,388 4.379,389 2.509,390 1.547,391 2.151,393 4.243,394 1.494,395 2.925,396 1.549,397 4.202,398 2.483,399 1.534,400 2.091,402 3.77,403 1.444,404 2.825,405 1.534,406 3.676,407 2.377,408 1.424,409 1.904,411 3.222,412 1.35,413 2.526,414 1.309,415 3.493,416 2.041,417 1.114,418 1.539,420 2.62,421 1.03,422 2.5,423 1.256,424 3.434,425 1.984,426 1,427 1.5,428 2.356,429 0.983,430 2.232,431 1.143,432 3.319,433 1.956,434 1,435 1.207,436 2.256,437 0.953,438 2.179,439 1.017,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.908,451 1,452 1,454 2.136,455 0.901,456 1.901,457 0.41,458 3.04,459 1.381,460 0.409,461 0.609,463 1.011,464 0.397,465 14.233,466 0.474,467 0.496,468 0.017,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.809,476 0.76,477 31.367,478 0.581,479 29.651,480 0.988,481 8.262,482 0.275,483 6.587,484 0.22,487 0.274,493 0.958,494 1.414,495 0.781,496 1.097,497 0.826,498 0.942,499 1.289,500 1.02,501 0.989,502 0.943,503 1.007,504 0.936,505 1.152,506 1.027,507 1.04,508 0.944,509 1.086,510 0.972,511 0.734,512 1.159,513 1.027,514 1.146,515 1.034,516 1.123,517 0.914,518 1.037,519 0.897,520 0.892,521 0.989,522 0.88,523 1.371,524 1.123,525 1.067,526 0.916,527 1.214,528 0.928,529 0.98,530 0.956,531 1.126,532 1.015,533 1.111,534 1.067,535 0.76,536 1.027,537 0.951,538 1.089,539 0.715,540 1.055,541 4.5,542 0.064,543 2.444,544 1.069,545 1.084,546 0.934,547 0.373,548 0.259,549 0.337,550 0.167,551 12947,552 30917,553 2.228,554 44.4,556 17,557 1,558 2,559 2,561 2,564 1.733,565 2.195,566 3.448,567 0.21,569 1,573 81.173,574 1.503,575 3.692,576 4.733,577 5.162,578 5.162,579 5.162,580 2.874,581 4.082,582 4.875,583 3.619,584 1574.38,585 8.533,586 22261.6,588 1,591 310.764,592 0.837,593 4.881,594 0.132,595 0.002,596 0.053,597 0.024,598 0.028,599 0.023,600 0.009,601 0.006,602 0.009,603 0.005,604 0.292,605 0.33,606 0.88,608 154.091,609 -0.041,610 -0.236,611 0.073,612 -0.079,613 0.015,614 -0.002,615 -0.048,616 0.093,617 -0.053,618 0.026,619 0.026,620 -0.014,621 -0.12,622 -0.003,623 -0.074,624 0.031,625 -0.117,626 -0.009,627 0.018,628 -0.15,629 -0.076,630 -0.16,631 -0.118,632 -0.137,633 0.038,634 -0.034,635 0.102,636 0.052,637 0.043,638 0.083,639 -0.2,640 -0.027,641 -0.084,642 -0.008,643 -0.12,644 -0.022,645 0.049,646 0.12,647 -0.169,648 -0.067,649 -0.077,650 -0.131,651 0.06,652 -0.079,653 0.019,654 -0.079,655 0.133,656 -0.044,657 1.019,658 2.01,659 0.9,660 31.524,661 0.998,662 1.128,663 2.789,664 7.779,665 0.673,666 3.555,667 3.85,668 4.127,669 4.394,670 4.625,671 4.691,672 4.883,673 5.037,674 5.153,675 5.288,676 6.839,677 0.64,678 400.53,679 3.555,680 5.081,681 5.927,682 6.79,683 7.65,684 8.521,685 9.388,686 10.263,687 11.136,688 12.014,689 11.1,694 1,695 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,724 1,726 1,731 54,733 22,734 1,735 34,737 58,738 23,739 17,740 3,741 3,746 5,747 6,758 1,761 17,762 6,778 1,781 24,782 6,783 2,784 7,790 6,794 0.8,795 1,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.55,879 6.583,880 3.278,881 3.772,882 1.48,883 1.033,884 5.599,885 11.623,886 3.829,887 4.422,888 5.026,889 5.627,890 6.158,891 6.456,892 6.936,893 7.379,894 7.685,895 8.116,896 1,897 44,898 11.062,900 4.667,901 7.506,902 21.631,904 17.886,905 2.006,906 60.167,908 1,909 1,910 258.964,911 129.584,912 88.277,914 11,917 129.584,918 269.964,919 88.277,921 18.036,922 75.381,923 102.909,924 49.706,925 18.142,926 223.651,928 258.964,929 217.862,930 11,933 235.422,934 23.542,935 11,937 57.573,938 91.922,939 68.367,941 258.964,942 99.277,943 129.584,946 258.964,947 36.108,948 96.6,949 34.796,950 61.356,951 258.964,952 99.277,953 129.584,955 0.57,956 0.33,957 0.183,958 0.098,959 23,960 8,961 0.103,962 6,963 1,964 1.074,965 4.334,966 271.623,967 0.074,968 27,969 139.207,974 19.042,975 8.821,976 4.479,977 2.295,978 82.492,979 20.179,980 13.683,981 3.284,984 4.795,986 34.796,987 487.826,988 45,999 53.891,1000 60.936,1001 0.261,1002 0.642,1003 0.822,1004 0.897,1005 0.897,1006 0.897,1007 5.04,1008 1.534,1009 5.872,1010 4.243,1011 4.533,1012 5.109,1013 1.324,1014 6.635,1015 4.437,1016 6.217,1017 1.424,1018 7.388,1019 3.77,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.771,1025 7.501,1026 1.114,1027 9.004,1028 3.222,1029 6.071,1030 7.3,1031 0.958,1032 10.499,1033 5.896,1034 8.823,1035 1,1036 10.682,1037 2.62,1038 6.312,1039 7.841,1040 0.268,1041 12.117,1042 6.118,1043 10.18,1044 1,1045 12.401,1046 2.356,1047 7.882,1048 9.799,1049 0.736,1050 14.687,1051 7.639,1052 11.562,1053 1,1054 14.147,1055 2.256,1056 8.547,1057 10.781,1058 0.188,1059 16.657,1060 8.284,1061 12.964,1062 1,1063 15.912,1064 2.136,1065 9.847,1066 12.472,1067 0.57,1068 19.032,1069 9.541,1070 3.063,1071 0.409,1072 17.691,1073 2.136,1074 10.725,1075 13.684,1076 0.125,1077 21.157,1078 10.395,1079 2.887,1080 9.832,1081 19.48,1082 1.011,1083 11.903,1084 15.25,1085 0.439,1086 23.457,1087 11.536,1088 2.584,1089 9.207,1090 21.276,1091 4.393,1092 12.889,1093 16.582,1094 0.082,1095 25.653,1096 12.494,1097 2.524,1098 8.377,1099 23.079,1100 3.938,1101 14.014,1102 18.09,1103 0.334,1104 27.927,1105 13.586,1106 2.284,1107 6.988,1108 24.886,1109 3.444,1110 15.054,1111 19.486,1112 0.054,1113 30.157,1114 14.598,1115 1.783,1116 6.75,1117 26.698,1118 3.21,1119 16.159,1120 20.968,1121 0.252,1122 32.421,1123 15.671,1124 1.547,1125 4.56,1126 28.512,1127 2.809,1128 17.227,1129 22.398,1130 0.035,1131 34.669,1132 16.71,1133 11818,1134 18392,1135 24.038,1136 36.341,1137 50.632,1138 50.622,1139 50.123,1140 50.333,1141 50.308,1142 66.48,1143 4.12,1144 138.929,1145 47.804,1146 5.478,1147 5.186,1148 6.157,1149 5.133,1150 5.063,1151 7.393,1152 1.72,1153 16.407,1154 4.978,1156 1.489,1157 1.489,1158 1.474,1159 1.48,1160 1.48,1161 1.955,1162 0.121,1163 4.086,1164 1.406,1165 4.131,1166 4.167,1167 4.089,1168 4.047,1169 5.046,1170 4.053,1171 3.923,1172 3.976,1173 3.866,1174 3.803,1175 4.912,1176 3.806,1177 3.861,1178 3.909,1179 3.801,1180 3.704,1181 4.891,1182 3.727,1183 3.672,1184 3.729,1185 3.568,1186 3.466,1187 4.609,1188 3.481,1189 3.442,1190 3.515,1191 3.327,1192 3.265,1193 4.286,1194 3.272,1195 3.303,1196 3.365,1197 3.188,1198 3.145,1199 4.133,1200 3.146,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.937,1206 2.91,1207 2.953,1208 3.018,1209 2.843,1210 2.817,1211 3.824,1212 2.814,1213 0.132,1214 0.094,1215 0.187,1216 0.119,1217 0.09,1218 4.478,1219 0.129,1220 3.186,1221 0.025,1222 6.355,1223 0.289,1224 4.03,1225 0.088,1226 3.063,1227 4.393,1228 0.86,1229 9.832,1230 2.978,1231 1.976,1232 1.952,1233 2.051,1234 2.086,1235 1.223,1236 2.074,1237 1.87,1238 1.832,1239 2.005,1240 1.994,1241 1.197,1242 2,1243 1.766,1244 1.716,1245 1.928,1246 1.962,1247 1.167,1248 1.956,1249 1.576,1250 1.524,1251 1.732,1252 1.804,1253 0.825,1254 1.785,1255 1.479,1256 1.415,1257 1.659,1258 1.696,1259 0.805,1260 1.692,1261 1.377,1262 1.304,1263 1.599,1264 1.591,1265 0.736,1266 1.602,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.636,1272 1.429,1273 0.992,1274 0.943,1275 1.181,1276 1.17,1277 0.283,1278 1.174,1279 4.234,1281 5.533,1282 2.398,1283 7.031,1284 4.595,1285 8.616,1286 6.581,1287 10.246,1295 4.755,1296 3.407,1297 5.51,1300 2.26,1305 34.584,1306 81.173,1307 199.364,1308 255.603,1309 278.764,1310 278.764,1311 278.764,1312 34.205,1313 7.851,1314 78.96,1315 78.96,1316 29,1317 12.552,1318 4.524,1319 3.585,1320 41.371,1321 122,1322 132,1323 0.162,1324 209.915,1325 349.45,1326 503.953,1327 28093,1329 20.175,1330 0.673,1331 0.557,1332 20.175,1333 16.713,1334 14.848,1335 0.437,1336 0.302,1337 10.118,1338 14.264,1339 9.954,1340 8.185,1341 14.848,1342 10.271,1343 12.951,1344 0.282,1345 0.16,1346 12.951,1347 7.346,1348 11.141,1349 0.183,1350 0.088,1351 11.141,1352 5.345,1353 9.483,1354 0.119,1355 0.046,1356 9.483,1357 3.691,1358 7.698,1359 0.076,1360 0.024,1361 7.698,1362 2.436,1363 0.252,1364 92.89,1365 0.204,1366 28.407,1367 0.447,1368 160,1369 424.982,1370 174.452,1371 414.115,1372 583.51,1373 394,1374 187,1375 439.862,1376 201.758,1377 445.757,1378 652.82,1379 422,1380 5}
{0 CHEMBL1644591,1 1.71,2 11.688,3 2.997,4 8.98,5 126.911,6 7.838,7 0.514,8 4.167,9 4.281,10 3.908,11 3.694,12 5.211,13 3.664,14 4.722,15 4.892,16 4.134,17 4.044,18 5.965,19 4.003,20 4.952,21 5.173,22 4.098,23 4.158,24 5.981,25 4.083,26 4.897,27 5.125,28 4.085,29 4.154,30 5.894,31 4.054,32 4.938,33 5.163,34 4.13,35 4.155,36 5.991,37 4.074,38 4.931,39 5.157,40 4.136,41 4.137,42 5.959,43 4.068,44 4.928,45 5.146,46 4.128,47 4.163,48 6.006,49 4.074,50 5.003,51 5.244,52 4.097,53 4.191,54 5.925,55 4.08,56 0.111,57 0.928,58 14.47,59 5.293,60 17.161,61 6.606,62 0.554,63 1.435,64 26.76,65 8.841,66 66.903,67 11.207,68 0.646,69 1.661,70 32.553,71 9.927,72 67.693,73 13.657,74 0.381,75 1.643,76 31.599,77 10.819,78 42.378,79 14.869,80 0.474,81 1.668,82 32.397,83 10.524,84 56.167,85 14.589,86 0.491,87 1.682,88 32.35,89 9.686,90 49.018,91 13.738,92 0.603,93 1.668,94 31.473,95 10.538,96 60.299,97 14.564,98 0.464,99 1.704,100 35.954,101 11.697,102 50.961,103 16.736,104 12,105 48,106 0.277,107 0.596,108 0.775,109 0.858,110 0.863,111 0.863,112 3.502,113 1.054,114 -3.32,115 -3.31,116 -3.17,119 37.9,121 1,124 1,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 3,175 7,178 4,180 3,183 7,186 1,187 3,192 2,195 5,198 1,199 9,202 2,204 4,207 2,211 1,212 10,215 1,217 4,220 1,223 2,224 7,229 2,232 2,236 3,237 7,240 3,241 1,242 1,245 2,249 1,250 7,258 3,262 4,263 5,266 2,268 1,271 5,275 1978,276 21.532,277 21.532,278 21.532,279 21.532,280 21.532,281 19.072,282 25.04,283 13.058,284 22.162,285 17.397,286 17.397,287 17.397,288 17.397,289 17.397,290 13.617,291 33.829,292 6.332,293 18.431,294 4.148,295 2.183,296 1.074,297 0.565,298 0.53,299 0.53,300 4.2,304 1,305 1,306 801,307 3.674,311 442.01,318 1.77,319 33.913,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 374,332 4.645,333 4.311,334 6.461,335 4.087,336 3.147,337 4.443,338 0.86,339 10.216,340 2.957,341 4.369,342 3.183,343 6.313,344 3.964,345 3.018,346 4.039,347 0.8,348 9.71,349 2.85,350 4.017,351 2.874,352 6.033,353 3.663,354 2.714,355 3.56,356 0.4,357 8.713,358 2.561,359 3.897,360 2.737,361 5.366,362 3.495,363 2.529,364 3.444,366 7.029,367 2.441,368 3.648,369 2.578,370 5.321,371 3.307,372 2.38,373 2.902,375 6.913,376 2.206,377 3.468,378 2.296,379 5.144,380 3.081,381 2.128,382 2.752,384 6.338,385 2.015,386 2.966,387 2.257,388 4.448,389 2.688,390 1.773,391 2.113,393 4.468,394 1.622,395 2.919,396 1.666,397 4.178,398 2.523,399 1.544,400 2.037,402 3.669,403 1.507,404 2.8,405 1.542,406 3.676,407 2.35,408 1.385,409 1.894,411 3.221,412 1.332,413 2.554,414 1.344,415 3.498,416 2.101,417 1.15,418 1.579,420 2.639,421 1.09,422 2.5,423 1.256,424 3.479,425 1.968,426 1,427 1.5,428 2.485,429 0.965,430 2.229,431 1.15,432 3.319,433 1.953,434 1,435 1.202,436 2.258,437 0.95,438 2.179,439 1.034,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.904,451 1,452 1,454 2.136,455 0.897,456 1.22,457 0.733,458 3.092,459 0.949,465 15.233,466 0.476,467 0.798,468 0.025,469 44,470 1.375,471 22.5,472 0.703,473 21.5,474 0.672,475 25.786,476 0.806,477 35.167,478 0.606,479 34.341,480 1.073,481 8.511,482 0.266,483 6.95,484 0.217,485 0.077,486 0.055,487 0.223,493 0.693,494 1.542,495 0.817,496 1.31,497 0.691,498 1.013,499 0.923,500 1.131,501 1.09,502 1.108,503 0.561,504 0.989,505 1.322,506 0.957,507 0.949,508 0.755,509 1.237,510 0.915,511 0.67,512 1.085,513 0.933,514 1.041,515 0.562,516 1.043,517 0.92,518 1.126,519 0.883,520 0.951,521 0.923,522 0.987,523 1.008,524 1.095,525 0.919,526 0.931,527 0.786,528 0.968,529 0.747,530 1.02,531 0.932,532 0.985,533 0.659,534 1.07,535 0.779,536 1.03,537 0.825,538 0.998,539 0.715,540 1.03,541 7,542 0.17,543 2.222,544 1.563,545 1.298,546 1.146,547 0.63,548 0.3,549 0.468,550 0.319,551 14215,552 41162,553 2.093,554 44.8,556 21,558 1,559 2,560 2,564 1.75,565 1.99,566 3.509,567 0.27,569 1,573 99.179,574 1.71,575 3.674,576 4.784,577 5.293,578 5.328,579 5.328,580 2.951,581 4.414,582 4.967,583 3.71,584 1840.37,585 8.723,586 27470.1,588 1,591 339.763,592 1.355,593 4.94,594 0.2,595 0.005,596 0.046,597 0.035,598 0.029,599 0.025,600 0.014,601 0.007,602 0.011,603 0.008,604 0.379,605 0.33,606 0.88,607 0.789,608 168.29,609 0.045,610 -0.288,611 0.201,612 -0.136,613 -0.138,614 -0.012,615 0.144,616 0.003,617 -0.092,618 -0.078,619 0.298,620 -0.043,621 -0.249,622 0.064,623 -0.099,624 0.116,625 -0.21,626 0.015,627 0.012,628 -0.037,629 -0.022,630 -0.07,631 0.031,632 -0.051,633 -0.05,634 -0.1,635 -0.003,636 -0.03,637 -0.051,638 -0.023,639 -0.113,640 -0.038,641 -0.036,642 -0.034,643 -0.045,644 -0.028,645 0.105,646 0.034,647 -0.063,648 -0.065,649 0.078,650 -0.114,651 -0.005,652 -0.068,653 0.055,654 -0.056,655 -0.026,656 -0.027,657 4.288,658 4.628,659 0.75,660 36.551,661 1.009,662 1.133,663 2.094,664 4.387,665 0.667,666 3.584,667 3.892,668 4.06,669 4.331,670 4.564,671 4.605,672 4.787,673 4.905,674 5.043,675 5.124,676 7.235,677 0.633,678 454.61,679 3.584,680 5.118,681 5.932,682 6.801,683 7.633,684 8.507,685 9.349,686 10.225,687 11.074,688 11.952,689 10.3,694 2,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,731 58,733 20,734 1,735 35,737 61,738 22,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 7,766 2,769 1,771 2,778 1,781 26,782 9,783 2,784 10,785 1,790 6,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 32,852 1,854 6,855 2,856 1,859 1,870 5.2,873 2,874 1,877 16.083,878 10.467,879 6.931,880 3.324,881 3.097,882 1.404,883 0.991,884 7.203,885 10.756,886 3.85,887 4.437,888 4.85,889 5.426,890 5.965,891 6.146,892 6.577,893 6.929,894 7.281,895 7.572,896 0.875,897 45,898 11.991,900 5.197,901 7.794,902 22.657,904 18.471,905 2.294,906 73.417,909 1,910 282.506,911 131.574,912 87.897,914 55.313,916 5.807,917 125.767,918 337.819,919 87.897,920 7.19,921 18.036,922 81.617,923 151.856,924 23.628,925 4.227,926 270.735,928 282.506,929 213.664,930 55.313,931 5.807,933 282.506,934 44.313,935 11,937 34.496,938 94.395,939 90.58,941 282.506,942 143.209,943 131.574,945 5.807,946 282.506,947 33.719,948 95.172,949 34.416,950 105.669,951 282.506,952 143.209,953 131.574,955 0.576,956 0.302,957 0.168,958 0.095,959 22,960 9,961 0.131,962 8,964 1,965 4.355,966 286.537,968 24,969 154,973 1,974 22.466,975 10.26,976 6.634,978 143.209,979 16.723,980 13.747,984 4.3,986 34.416,987 557.29,988 46,991 -3.371,993 23.256,999 58.505,1000 65.69,1001 0.292,1002 0.627,1003 0.817,1004 0.904,1005 0.909,1006 0.909,1007 5.078,1008 1.544,1009 5.922,1010 4.468,1011 4.575,1012 5.124,1013 1.324,1014 6.696,1015 4.465,1016 6.286,1017 1.385,1018 7.452,1019 3.669,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.015,1025 7.605,1026 1.15,1027 9.087,1028 3.221,1029 6.176,1030 7.351,1031 0.958,1032 10.638,1033 5.955,1034 8.963,1035 1,1036 10.785,1037 2.639,1038 6.594,1039 8.097,1040 0.268,1041 12.402,1042 6.289,1043 10.355,1044 1,1045 12.522,1046 2.485,1047 8.063,1048 9.899,1049 0.736,1050 14.919,1051 7.725,1052 11.77,1053 1,1054 14.286,1055 2.258,1056 8.844,1057 11.002,1058 0.188,1059 16.989,1060 8.425,1061 13.204,1062 1,1063 16.068,1064 2.136,1065 10.103,1066 12.613,1067 0.57,1068 19.358,1069 9.643,1070 3.147,1072 17.863,1073 2.136,1074 11.059,1075 13.892,1076 0.125,1077 21.556,1078 10.524,1079 3.018,1080 10.216,1081 19.668,1083 12.231,1084 15.421,1085 0.439,1086 23.876,1087 11.647,1088 2.714,1089 9.71,1090 21.481,1091 4.443,1092 13.272,1093 16.79,1094 0.082,1095 26.13,1096 12.618,1097 2.529,1098 8.713,1099 23.3,1100 4.039,1101 14.409,1102 18.283,1103 0.334,1104 28.434,1105 13.701,1106 2.38,1107 7.029,1108 25.124,1109 3.56,1110 15.493,1111 19.701,1112 0.054,1113 30.713,1114 14.717,1115 2.128,1116 6.913,1117 26.952,1118 3.444,1119 16.618,1120 21.181,1121 0.252,1122 33.014,1123 15.785,1124 1.773,1125 6.338,1126 28.783,1127 2.902,1128 17.723,1129 22.625,1130 0.035,1131 35.306,1132 16.825,1133 13584,1134 23306,1135 23.633,1136 38.659,1137 51.581,1138 53.279,1139 51.359,1140 51.596,1141 51.534,1142 67.217,1143 4.12,1144 143.856,1145 48.68,1146 5.645,1147 6.311,1148 6.263,1149 5.19,1150 5.147,1151 7.443,1152 1.72,1153 16.778,1154 4.957,1155 13.37,1156 1.474,1157 1.522,1158 1.467,1159 1.474,1160 1.472,1161 1.92,1162 0.118,1163 4.11,1164 1.391,1165 4.054,1166 4.075,1167 4.716,1168 3.99,1169 7.718,1170 3.945,1171 3.924,1172 3.941,1173 3.957,1174 3.83,1175 6.999,1176 3.786,1177 3.873,1178 3.905,1179 3.812,1180 3.776,1181 5.009,1182 3.738,1183 3.768,1184 3.786,1185 3.719,1186 3.626,1187 4.881,1188 3.621,1189 3.627,1190 3.679,1191 3.537,1192 3.425,1193 4.695,1194 3.44,1195 3.409,1196 3.477,1197 3.266,1198 3.259,1199 4.605,1200 3.249,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.123,1206 2.91,1207 2.96,1208 3.033,1209 2.864,1210 2.804,1211 3.99,1212 2.811,1213 0.133,1214 0.123,1215 0.185,1216 0.117,1217 0.09,1218 4.645,1219 0.127,1220 4.311,1221 0.025,1222 6.461,1223 0.292,1224 4.087,1225 0.084,1226 3.147,1227 4.443,1228 0.86,1229 10.216,1230 2.957,1231 1.961,1232 1.939,1233 2.036,1234 2.082,1235 1.216,1236 2.078,1237 1.859,1238 1.818,1239 1.992,1240 1.992,1241 1.167,1242 2.002,1243 1.773,1244 1.753,1245 1.925,1246 1.967,1247 1.135,1248 1.972,1249 1.66,1250 1.66,1251 1.748,1252 1.835,1253 0.942,1254 1.867,1255 1.558,1256 1.505,1257 1.633,1258 1.748,1259 0.837,1260 1.767,1261 1.405,1262 1.342,1263 1.595,1264 1.591,1265 0.825,1266 1.609,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.706,1272 1.429,1273 0.932,1274 0.869,1275 1.18,1276 1.163,1277 0.295,1278 1.187,1279 4.263,1281 5.572,1283 7.064,1285 8.635,1287 10.247,1289 1.129,1295 4.178,1296 5.82,1297 5.47,1300 2.164,1305 36.728,1306 99.179,1307 213.12,1308 277.498,1309 307.008,1310 309.008,1311 309.008,1312 57.899,1313 7.658,1314 109.34,1315 117.72,1316 24,1317 12.496,1318 4.392,1319 3.585,1320 51.529,1321 135,1322 150,1323 0.18,1324 229.767,1325 394.14,1326 552.392,1327 21998,1329 22.391,1330 0.7,1331 0.584,1332 22.641,1333 18.677,1334 15.46,1335 0.442,1336 0.351,1337 10.388,1338 14.035,1339 9.999,1340 8.256,1341 16.387,1342 12.291,1343 14.484,1344 0.302,1345 0.192,1346 15.866,1347 9.236,1348 10.535,1349 0.185,1350 0.097,1351 10.985,1352 5.506,1353 9.128,1354 0.122,1355 0.053,1356 9.654,1357 3.975,1358 7.441,1359 0.078,1360 0.028,1361 7.809,1362 2.617,1363 0.281,1364 106.711,1365 0.206,1366 29.978,1367 0.496,1368 166,1369 515.313,1370 215.291,1371 514.506,1372 695.84,1373 478,1374 188,1375 484.317,1376 243.979,1377 520.184,1378 746.74,1379 486,1380 5}
{0 CHEMBL1644592,1 1.71,2 11.688,3 2.855,4 8.148,5 127.489,6 7.838,7 0.514,8 4.167,9 4.281,10 3.908,11 3.694,12 5.213,13 3.664,14 4.722,15 4.892,16 4.132,17 4.048,18 5.962,19 4.006,20 4.949,21 5.166,22 4.098,23 4.168,24 5.975,25 4.09,26 4.916,27 5.15,28 4.085,29 4.158,30 5.9,31 4.057,32 4.94,33 5.167,34 4.131,35 4.153,36 5.998,37 4.073,38 4.923,39 5.146,40 4.132,41 4.136,42 5.945,43 4.069,44 4.931,45 5.149,46 4.131,47 4.167,48 6.021,49 4.077,50 5,51 5.239,52 4.093,53 4.199,54 5.911,55 4.085,56 0.111,57 0.928,58 14.47,59 5.293,60 17.399,61 6.606,62 0.563,63 1.433,64 26.797,65 8.854,66 66.994,67 11.206,68 0.613,69 1.659,70 32.143,71 10.191,72 65.364,73 13.925,74 0.374,75 1.659,76 32.541,77 10.979,78 43.336,79 15.221,80 0.513,81 1.672,82 32.614,83 10.442,84 58.028,85 14.469,86 0.445,87 1.672,88 31.913,89 9.531,90 46.171,91 13.573,92 0.659,93 1.677,94 31.592,95 10.555,96 64.069,97 14.501,98 0.423,99 1.696,100 35.679,101 11.876,102 48.668,103 16.945,104 12,105 48,106 0.277,107 0.602,108 0.788,109 0.863,110 0.863,111 0.863,112 3.502,113 1.053,114 -3.32,115 -3.31,116 -3.17,119 37.9,121 1,124 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 3,175 6,178 4,180 3,183 7,186 1,187 4,192 3,195 5,198 1,199 9,202 1,204 4,207 1,211 1,212 12,215 2,217 4,220 1,224 7,229 1,232 2,236 5,237 8,240 3,241 1,242 1,245 4,250 3,258 5,262 5,263 5,266 2,268 1,271 6,275 1978,276 21.532,277 21.532,278 21.532,279 21.532,280 21.532,281 19.072,282 25.04,283 13.058,284 22.16,285 17.397,286 17.397,287 17.397,288 17.397,289 17.397,290 13.617,291 33.829,292 6.332,293 18.42,294 4.148,295 2.143,296 0.999,297 0.53,298 0.53,299 0.53,300 4.2,304 1,305 1,306 801,307 3.674,311 442.01,318 1.77,319 33.636,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 374,332 4.645,333 4.311,334 6.461,335 4.087,336 3.147,337 4.443,338 0.86,339 10.216,340 2.957,341 4.369,342 3.183,343 6.313,344 3.964,345 3.018,346 4.039,347 0.8,348 9.71,349 2.85,350 4.017,351 2.874,352 6.033,353 3.663,354 2.714,355 3.56,356 0.4,357 8.713,358 2.562,359 3.897,360 2.737,361 5.366,362 3.515,363 2.529,364 3.444,366 7.029,367 2.495,368 3.648,369 2.578,370 5.321,371 3.308,372 2.38,373 2.902,375 6.913,376 2.207,377 3.468,378 2.296,379 5.144,380 3.081,381 2.128,382 2.752,384 6.338,385 2.015,386 2.966,387 2.257,388 4.448,389 2.687,390 1.773,391 2.113,393 4.468,394 1.619,395 2.919,396 1.666,397 4.178,398 2.5,399 1.544,400 2.037,402 3.669,403 1.472,404 2.8,405 1.542,406 3.676,407 2.35,408 1.385,409 1.894,411 3.221,412 1.331,413 2.554,414 1.344,415 3.498,416 2.101,417 1.15,418 1.579,420 2.639,421 1.089,422 2.5,423 1.256,424 3.479,425 1.967,426 1,427 1.5,428 2.485,429 0.964,430 2.229,431 1.15,432 3.319,433 1.952,434 1,435 1.202,436 2.258,437 0.949,438 2.179,439 1.034,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.904,451 1,452 1,454 2.136,455 0.897,456 1.22,457 0.733,458 3.092,459 0.949,465 15.233,466 0.476,467 0.798,468 0.025,469 44,470 1.375,471 22.5,472 0.703,473 21.5,474 0.672,475 25.809,476 0.807,477 35.167,478 0.606,479 34.318,480 1.072,481 8.506,482 0.266,483 6.955,484 0.217,485 0.077,486 0.055,487 0.223,493 0.693,494 1.542,495 0.817,496 1.31,497 0.687,498 1.013,499 0.932,500 1.088,501 1.094,502 1.086,503 0.565,504 0.975,505 1.274,506 0.999,507 0.947,508 0.805,509 1.216,510 0.958,511 0.674,512 1.108,513 0.913,514 1.028,515 0.554,516 1.023,517 0.934,518 1.058,519 0.89,520 0.916,521 0.931,522 0.966,523 1.044,524 1.176,525 0.927,526 0.954,527 0.805,528 0.981,529 0.743,530 0.915,531 0.949,532 0.954,533 0.664,534 1.061,535 0.758,536 1.071,537 0.818,538 1.025,539 0.697,540 1.048,541 7,542 0.17,543 2.222,544 1.563,545 1.298,546 1.146,547 0.63,548 0.3,549 0.468,550 0.319,551 14215,552 41354,553 2.093,554 44.8,556 20,558 2,559 2,561 2,564 1.75,565 1.99,566 3.509,567 0.27,569 1,573 99.179,574 1.71,575 3.715,576 4.859,577 5.328,578 5.328,579 5.328,580 2.951,581 4.414,582 4.967,583 3.71,584 1840.37,585 8.723,586 27470.1,588 1,591 339.763,592 1.355,593 4.94,594 0.2,595 0.005,596 0.046,597 0.035,598 0.029,599 0.025,600 0.014,601 0.007,602 0.011,603 0.008,604 0.379,605 0.33,606 0.88,607 0.789,608 168.29,609 0.045,610 -0.288,611 0.201,612 -0.136,613 -0.134,614 -0.012,615 0.135,616 0.047,617 -0.096,618 -0.056,619 0.294,620 -0.029,621 -0.227,622 0.017,623 -0.105,624 0.079,625 -0.202,626 -0.019,627 0.002,628 -0.075,629 0.001,630 -0.06,631 0.033,632 -0.028,633 -0.047,634 -0.027,635 -0.007,636 -0.003,637 -0.054,638 -0.008,639 -0.156,640 -0.118,641 -0.047,642 -0.053,643 -0.063,644 -0.039,645 0.125,646 0.149,647 -0.079,648 -0.041,649 0.08,650 -0.112,651 -0.007,652 -0.115,653 0.057,654 -0.072,655 -0.02,656 -0.035,657 4.287,658 4.629,659 0.75,660 36.551,661 1.009,662 1.133,663 2.094,664 4.387,665 0.667,666 3.584,667 3.892,668 4.06,669 4.331,670 4.564,671 4.605,672 4.787,673 4.905,674 5.043,675 5.124,676 7.235,677 0.633,678 454.61,679 3.584,680 5.118,681 5.932,682 6.801,683 7.633,684 8.507,685 9.349,686 10.225,687 11.074,688 11.952,689 10.3,694 2,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,731 58,733 20,734 1,735 35,737 61,738 22,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 7,766 2,769 1,771 2,778 1,781 26,782 9,783 2,784 10,785 1,790 6,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 32,852 1,854 6,855 2,856 1,859 1,870 5.2,873 2,874 1,877 16.083,878 10.467,879 6.931,880 3.312,881 3.097,882 1.404,883 0.991,884 7.203,885 10.756,886 3.85,887 4.437,888 4.85,889 5.426,890 5.965,891 6.146,892 6.577,893 6.929,894 7.281,895 7.572,896 0.875,897 45,898 11.988,900 5.194,901 7.794,902 22.657,904 18.48,905 2.294,906 73.417,909 1,910 282.506,911 131.574,912 87.897,914 55.313,916 5.807,917 125.767,918 337.819,919 87.897,920 7.19,921 18.036,922 72.141,923 163.627,924 33.104,925 4.227,926 258.964,928 282.506,929 213.664,930 55.313,931 5.807,933 258.964,934 67.855,935 11,937 40.787,938 88.104,939 90.58,941 282.506,942 143.209,943 131.574,945 5.807,946 282.506,947 34.148,948 94.743,949 34.416,950 105.669,951 282.506,952 143.209,953 131.574,955 0.576,956 0.302,957 0.168,958 0.095,959 22,960 9,961 0.131,962 8,964 1,965 4.355,966 286.537,968 24,969 154,973 1,974 22.466,975 10.26,976 6.634,978 143.209,979 16.66,980 13.558,984 4.457,986 34.416,987 557.29,988 46,991 -3.37,993 23.257,999 58.505,1000 65.69,1001 0.292,1002 0.634,1003 0.83,1004 0.909,1005 0.909,1006 0.909,1007 5.078,1008 1.544,1009 5.922,1010 4.468,1011 4.575,1012 5.124,1013 1.324,1014 6.696,1015 4.467,1016 6.286,1017 1.385,1018 7.452,1019 3.669,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.025,1025 7.605,1026 1.15,1027 9.087,1028 3.221,1029 6.176,1030 7.351,1031 0.958,1032 10.638,1033 5.963,1034 8.963,1035 1,1036 10.785,1037 2.639,1038 6.594,1039 8.097,1040 0.268,1041 12.402,1042 6.305,1043 10.355,1044 1,1045 12.522,1046 2.485,1047 8.063,1048 9.899,1049 0.736,1050 14.919,1051 7.737,1052 11.77,1053 1,1054 14.286,1055 2.258,1056 8.844,1057 11.002,1058 0.188,1059 16.989,1060 8.442,1061 13.204,1062 1,1063 16.068,1064 2.136,1065 10.103,1066 12.613,1067 0.57,1068 19.358,1069 9.659,1070 3.147,1072 17.863,1073 2.136,1074 11.059,1075 13.892,1076 0.125,1077 21.556,1078 10.542,1079 3.018,1080 10.216,1081 19.668,1083 12.231,1084 15.421,1085 0.439,1086 23.876,1087 11.663,1088 2.714,1089 9.71,1090 21.481,1091 4.443,1092 13.272,1093 16.79,1094 0.082,1095 26.13,1096 12.634,1097 2.529,1098 8.713,1099 23.3,1100 4.039,1101 14.409,1102 18.283,1103 0.334,1104 28.434,1105 13.716,1106 2.38,1107 7.029,1108 25.124,1109 3.56,1110 15.493,1111 19.701,1112 0.054,1113 30.713,1114 14.732,1115 2.128,1116 6.913,1117 26.952,1118 3.444,1119 16.618,1120 21.181,1121 0.252,1122 33.014,1123 15.799,1124 1.773,1125 6.338,1126 28.783,1127 2.902,1128 17.723,1129 22.625,1130 0.035,1131 35.306,1132 16.837,1133 13584,1134 23356,1135 23.633,1136 38.659,1137 51.581,1138 53.279,1139 51.359,1140 51.586,1141 51.534,1142 67.217,1143 4.12,1144 143.856,1145 48.708,1146 5.645,1147 6.311,1148 6.263,1149 5.19,1150 5.147,1151 7.443,1152 1.72,1153 16.778,1154 4.957,1155 13.37,1156 1.474,1157 1.522,1158 1.467,1159 1.474,1160 1.472,1161 1.92,1162 0.118,1163 4.11,1164 1.392,1165 4.054,1166 4.075,1167 4.716,1168 3.99,1169 7.718,1170 3.945,1171 3.925,1172 3.943,1173 3.957,1174 3.832,1175 6.999,1176 3.795,1177 3.875,1178 3.906,1179 3.815,1180 3.786,1181 5.009,1182 3.738,1183 3.768,1184 3.786,1185 3.719,1186 3.625,1187 4.891,1188 3.621,1189 3.625,1190 3.677,1191 3.537,1192 3.422,1193 4.695,1194 3.438,1195 3.4,1196 3.471,1197 3.259,1198 3.233,1199 4.605,1200 3.228,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.136,1206 2.91,1207 2.957,1208 3.03,1209 2.863,1210 2.802,1211 3.991,1212 2.809,1213 0.133,1214 0.123,1215 0.185,1216 0.117,1217 0.09,1218 4.645,1219 0.127,1220 4.311,1221 0.025,1222 6.461,1223 0.292,1224 4.087,1225 0.084,1226 3.147,1227 4.443,1228 0.86,1229 10.216,1230 2.957,1231 1.961,1232 1.939,1233 2.037,1234 2.082,1235 1.218,1236 2.078,1237 1.867,1238 1.829,1239 2,1240 1.994,1241 1.191,1242 2.005,1243 1.772,1244 1.752,1245 1.925,1246 1.967,1247 1.136,1248 1.972,1249 1.66,1250 1.66,1251 1.734,1252 1.835,1253 0.943,1254 1.867,1255 1.553,1256 1.502,1257 1.624,1258 1.747,1259 0.825,1260 1.763,1261 1.387,1262 1.32,1263 1.592,1264 1.586,1265 0.806,1266 1.601,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.701,1272 1.429,1273 0.931,1274 0.868,1275 1.18,1276 1.162,1277 0.289,1278 1.187,1279 4.263,1281 5.572,1283 7.064,1285 8.635,1287 10.247,1289 1.13,1295 4.256,1296 5.833,1297 5.471,1300 2.166,1305 36.728,1306 99.179,1307 215.469,1308 281.847,1309 309.008,1310 309.008,1311 309.008,1312 57.817,1313 7.658,1314 109.34,1315 117.72,1316 24,1317 12.496,1318 4.392,1319 3.585,1320 51.529,1321 135,1322 150,1323 0.18,1324 229.767,1325 394.14,1326 552.392,1327 21998,1329 22.391,1330 0.7,1331 0.584,1332 22.641,1333 18.677,1334 15.46,1335 0.442,1336 0.351,1337 10.377,1338 14.032,1339 9.984,1340 8.249,1341 16.387,1342 12.281,1343 14.484,1344 0.302,1345 0.193,1346 15.866,1347 9.276,1348 10.535,1349 0.185,1350 0.097,1351 10.985,1352 5.535,1353 9.128,1354 0.122,1355 0.053,1356 9.654,1357 3.992,1358 7.441,1359 0.078,1360 0.028,1361 7.809,1362 2.617,1363 0.281,1364 106.757,1365 0.206,1366 29.978,1367 0.496,1368 166,1369 515.313,1370 214.958,1371 514.795,1372 695,1373 478,1374 188,1375 481.965,1376 243.812,1377 518.991,1378 744.2,1379 484,1380 5}
{0 CHEMBL1644593,1 1.71,2 11.688,3 2.855,4 8.148,5 127.489,6 7.838,7 0.514,8 4.167,9 4.281,10 3.908,11 3.694,12 5.213,13 3.664,14 4.722,15 4.892,16 4.132,17 4.048,18 5.963,19 4.006,20 4.949,21 5.166,22 4.096,23 4.172,24 5.972,25 4.093,26 4.913,27 5.143,28 4.085,29 4.169,30 5.894,31 4.064,32 4.959,33 5.191,34 4.13,35 4.157,36 6.003,37 4.076,38 4.925,39 5.151,40 4.133,41 4.134,42 5.953,43 4.068,44 4.923,45 5.138,46 4.127,47 4.166,48 6.008,49 4.078,50 5.002,51 5.242,52 4.096,53 4.202,54 5.927,55 4.088,56 0.111,57 0.928,58 14.47,59 5.293,60 17.399,61 6.606,62 0.563,63 1.433,64 26.797,65 8.854,66 67.233,67 11.206,68 0.621,69 1.658,70 32.18,71 10.205,72 65.455,73 13.924,74 0.341,75 1.658,76 32.131,77 11.243,78 41.007,79 15.488,80 0.506,81 1.688,82 33.556,83 10.602,84 58.986,85 14.821,86 0.485,87 1.677,88 32.13,89 9.449,90 48.032,91 13.452,92 0.613,93 1.667,94 31.156,95 10.4,96 61.222,97 14.336,98 0.479,99 1.705,100 35.798,101 11.893,102 52.438,103 16.882,104 12,105 48,106 0.277,107 0.602,108 0.776,109 0.841,110 0.841,111 0.841,112 3.502,113 1.053,114 -3.32,115 -3.31,116 -3.17,119 37.9,121 1,124 1,125 5,142 7,143 2,144 1,145 2,146 1,147 1,150 1,172 7,174 3,175 6,178 4,180 3,183 8,186 1,187 3,192 3,195 4,198 1,199 10,202 1,204 5,207 1,211 1,212 12,215 1,217 3,220 1,224 9,227 1,229 1,232 2,236 3,237 6,240 3,241 1,242 1,245 4,249 2,250 4,258 7,262 4,263 2,266 2,268 1,271 6,275 1978,276 21.532,277 21.532,278 21.532,279 21.532,280 21.532,281 19.072,282 25.04,283 13.058,284 22.169,285 17.397,286 17.397,287 17.397,288 17.397,289 17.397,290 13.617,291 33.829,292 6.332,293 18.425,294 4.148,295 2.143,296 1.068,297 0.668,298 0.668,299 0.668,300 4.2,304 1,305 1,306 801,307 3.674,311 442.01,318 1.77,319 33.404,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 374,332 4.645,333 4.311,334 6.461,335 4.087,336 3.147,337 4.443,338 0.86,339 10.216,340 2.957,341 4.369,342 3.183,343 6.313,344 3.964,345 3.018,346 4.039,347 0.8,348 9.71,349 2.85,350 4.017,351 2.874,352 6.033,353 3.663,354 2.714,355 3.56,356 0.4,357 8.713,358 2.562,359 3.897,360 2.737,361 5.366,362 3.518,363 2.529,364 3.444,366 7.029,367 2.504,368 3.648,369 2.578,370 5.321,371 3.308,372 2.38,373 2.902,375 6.913,376 2.207,377 3.468,378 2.296,379 5.144,380 3.081,381 2.128,382 2.752,384 6.338,385 2.015,386 2.966,387 2.257,388 4.448,389 2.686,390 1.773,391 2.113,393 4.468,394 1.617,395 2.919,396 1.666,397 4.178,398 2.481,399 1.544,400 2.037,402 3.669,403 1.443,404 2.8,405 1.542,406 3.676,407 2.348,408 1.385,409 1.894,411 3.221,412 1.33,413 2.554,414 1.344,415 3.498,416 2.099,417 1.15,418 1.579,420 2.639,421 1.087,422 2.5,423 1.256,424 3.479,425 1.984,426 1,427 1.5,428 2.485,429 0.983,430 2.229,431 1.15,432 3.319,433 1.957,434 1,435 1.202,436 2.258,437 0.954,438 2.179,439 1.034,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.904,451 1,452 1,454 2.136,455 0.897,456 1.22,457 0.733,458 3.092,459 0.949,465 15.233,466 0.476,467 0.798,468 0.025,469 44,470 1.375,471 22.5,472 0.703,473 21.5,474 0.672,475 25.825,476 0.807,477 35.167,478 0.606,479 34.303,480 1.072,481 8.506,482 0.266,483 6.954,484 0.217,485 0.077,486 0.055,487 0.223,493 0.693,494 1.542,495 0.817,496 1.31,497 0.687,498 1.013,499 0.932,500 1.088,501 1.094,502 1.086,503 0.562,504 0.975,505 1.281,506 0.965,507 0.951,508 0.788,509 1.219,510 0.947,511 0.626,512 1.151,513 0.911,514 1.079,515 0.533,516 1.067,517 0.932,518 1.082,519 0.871,520 0.907,521 0.916,522 0.948,523 1.059,524 1.107,525 0.934,526 0.919,527 0.814,528 0.959,529 0.778,530 0.995,531 0.957,532 0.977,533 0.682,534 1.075,535 0.754,536 0.976,537 0.833,538 0.997,539 0.703,540 1.04,541 7,542 0.17,543 2.222,544 1.563,545 1.298,546 1.146,547 0.63,548 0.3,549 0.468,550 0.319,551 14215,552 41546,553 2.093,554 44.8,556 20,558 2,559 2,561 2,564 1.75,565 1.99,566 3.509,567 0.27,569 1,573 99.179,574 1.71,575 3.715,576 4.79,577 5.19,578 5.19,579 5.19,580 2.951,581 4.414,582 4.967,583 3.71,584 1840.37,585 8.723,586 27470.1,588 1,591 339.763,592 1.355,593 4.94,594 0.2,595 0.005,596 0.046,597 0.035,598 0.029,599 0.025,600 0.014,601 0.007,602 0.011,603 0.008,604 0.379,605 0.33,606 0.88,607 0.789,608 168.29,609 0.045,610 -0.288,611 0.201,612 -0.136,613 -0.134,614 -0.012,615 0.135,616 0.047,617 -0.096,618 -0.056,619 0.297,620 -0.029,621 -0.234,622 0.052,623 -0.108,624 0.096,625 -0.205,626 -0.008,627 0.024,628 -0.121,629 -0.005,630 -0.098,631 0.041,632 -0.062,633 -0.055,634 -0.064,635 0.015,636 0.005,637 -0.05,638 0.013,639 -0.152,640 -0.043,641 -0.051,642 -0.025,643 -0.066,644 -0.024,645 0.084,646 0.07,647 -0.09,648 -0.059,649 0.063,650 -0.123,651 0.011,652 -0.012,653 0.043,654 -0.05,655 -0.019,656 -0.034,657 4.286,658 4.629,659 0.75,660 36.551,661 1.009,662 1.133,663 2.094,664 4.387,665 0.667,666 3.584,667 3.892,668 4.06,669 4.331,670 4.564,671 4.605,672 4.787,673 4.905,674 5.043,675 5.124,676 7.235,677 0.633,678 454.61,679 3.584,680 5.118,681 5.932,682 6.801,683 7.633,684 8.507,685 9.349,686 10.225,687 11.074,688 11.952,689 10.3,694 2,695 1,699 3,704 9,705 3,709 6,711 18,724 1,726 1,731 58,733 20,734 1,735 35,737 61,738 22,739 15,740 2,741 4,746 4,747 4,758 1,761 15,762 7,766 2,769 1,771 2,778 1,781 26,782 9,783 2,784 10,785 1,790 6,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 32,852 1,854 6,855 2,856 1,859 1,870 5.2,873 2,874 1,877 16.083,878 10.467,879 6.931,880 3.312,881 3.097,882 1.404,883 0.991,884 7.203,885 10.756,886 3.85,887 4.437,888 4.85,889 5.426,890 5.965,891 6.146,892 6.577,893 6.929,894 7.281,895 7.572,896 0.875,897 45,898 11.987,900 5.193,901 7.794,902 22.657,904 18.48,905 2.294,906 73.417,909 1,910 282.506,911 131.574,912 87.897,914 55.313,916 5.807,917 125.767,918 337.819,919 87.897,920 7.19,921 18.036,922 72.141,923 163.627,924 33.104,925 4.227,926 258.964,928 282.506,929 213.664,930 55.313,931 5.807,933 258.964,934 67.855,935 11,937 40.787,938 88.104,939 90.58,941 282.506,942 143.209,943 131.574,945 5.807,946 282.506,947 34.148,948 94.743,949 34.416,950 105.669,951 282.506,952 143.209,953 131.574,955 0.576,956 0.302,957 0.168,958 0.095,959 22,960 9,961 0.131,962 8,964 1,965 4.355,966 286.537,968 24,969 150,973 1,974 22.466,975 10.26,976 6.634,978 143.209,979 16.641,980 13.463,984 4.517,986 34.416,987 557.29,988 46,991 -3.37,993 23.259,999 58.505,1000 65.69,1001 0.292,1002 0.634,1003 0.818,1004 0.886,1005 0.886,1006 0.886,1007 5.078,1008 1.544,1009 5.922,1010 4.468,1011 4.575,1012 5.124,1013 1.324,1014 6.696,1015 4.467,1016 6.286,1017 1.385,1018 7.452,1019 3.669,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.025,1025 7.605,1026 1.15,1027 9.087,1028 3.221,1029 6.176,1030 7.351,1031 0.958,1032 10.638,1033 5.964,1034 8.963,1035 1,1036 10.785,1037 2.639,1038 6.594,1039 8.097,1040 0.268,1041 12.402,1042 6.307,1043 10.355,1044 1,1045 12.522,1046 2.485,1047 8.063,1048 9.899,1049 0.736,1050 14.919,1051 7.74,1052 11.77,1053 1,1054 14.286,1055 2.258,1056 8.844,1057 11.002,1058 0.188,1059 16.989,1060 8.445,1061 13.204,1062 1,1063 16.068,1064 2.136,1065 10.103,1066 12.613,1067 0.57,1068 19.358,1069 9.662,1070 3.147,1072 17.863,1073 2.136,1074 11.059,1075 13.892,1076 0.125,1077 21.556,1078 10.545,1079 3.018,1080 10.216,1081 19.668,1083 12.231,1084 15.421,1085 0.439,1086 23.876,1087 11.666,1088 2.714,1089 9.71,1090 21.481,1091 4.443,1092 13.272,1093 16.79,1094 0.082,1095 26.13,1096 12.637,1097 2.529,1098 8.713,1099 23.3,1100 4.039,1101 14.409,1102 18.283,1103 0.334,1104 28.434,1105 13.719,1106 2.38,1107 7.029,1108 25.124,1109 3.56,1110 15.493,1111 19.701,1112 0.054,1113 30.713,1114 14.735,1115 2.128,1116 6.913,1117 26.952,1118 3.444,1119 16.618,1120 21.181,1121 0.252,1122 33.014,1123 15.801,1124 1.773,1125 6.338,1126 28.783,1127 2.902,1128 17.723,1129 22.625,1130 0.035,1131 35.306,1132 16.84,1133 13584,1134 23408,1135 23.633,1136 38.659,1137 51.581,1138 53.279,1139 51.359,1140 51.591,1141 51.534,1142 67.217,1143 4.12,1144 143.856,1145 48.704,1146 5.645,1147 6.311,1148 6.263,1149 5.19,1150 5.147,1151 7.443,1152 1.72,1153 16.778,1154 4.957,1155 13.37,1156 1.474,1157 1.522,1158 1.467,1159 1.474,1160 1.472,1161 1.92,1162 0.118,1163 4.11,1164 1.392,1165 4.054,1166 4.075,1167 4.716,1168 3.99,1169 7.718,1170 3.945,1171 3.925,1172 3.943,1173 3.957,1174 3.833,1175 6.999,1176 3.798,1177 3.876,1178 3.906,1179 3.816,1180 3.789,1181 5.009,1182 3.738,1183 3.768,1184 3.786,1185 3.719,1186 3.625,1187 4.893,1188 3.621,1189 3.625,1190 3.677,1191 3.536,1192 3.421,1193 4.695,1194 3.437,1195 3.393,1196 3.466,1197 3.253,1198 3.211,1199 4.605,1200 3.21,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.147,1206 2.91,1207 2.939,1208 3.015,1209 2.859,1210 2.779,1211 3.991,1212 2.789,1213 0.133,1214 0.123,1215 0.185,1216 0.117,1217 0.09,1218 4.645,1219 0.127,1220 4.311,1221 0.025,1222 6.461,1223 0.292,1224 4.087,1225 0.084,1226 3.147,1227 4.443,1228 0.86,1229 10.216,1230 2.957,1231 1.961,1232 1.939,1233 2.037,1234 2.082,1235 1.218,1236 2.078,1237 1.87,1238 1.832,1239 2.003,1240 1.994,1241 1.197,1242 2.006,1243 1.772,1244 1.752,1245 1.925,1246 1.967,1247 1.136,1248 1.973,1249 1.66,1250 1.66,1251 1.728,1252 1.834,1253 0.943,1254 1.867,1255 1.552,1256 1.501,1257 1.618,1258 1.746,1259 0.825,1260 1.761,1261 1.372,1262 1.301,1263 1.588,1264 1.582,1265 0.793,1266 1.595,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.696,1272 1.429,1273 0.907,1274 0.842,1275 1.181,1276 1.159,1277 0.252,1278 1.186,1279 4.263,1281 5.572,1283 7.064,1285 8.635,1287 10.247,1289 1.131,1295 4.295,1296 5.841,1297 5.471,1300 2.168,1305 36.728,1306 99.179,1307 215.469,1308 277.847,1309 301.008,1310 301.008,1311 301.008,1312 57.597,1313 7.658,1314 109.34,1315 117.72,1316 24,1317 12.496,1318 4.392,1319 3.585,1320 51.529,1321 135,1322 150,1323 0.18,1324 229.767,1325 394.14,1326 552.392,1327 21998,1329 22.391,1330 0.7,1331 0.584,1332 22.641,1333 18.677,1334 15.46,1335 0.442,1336 0.351,1337 10.377,1338 14.029,1339 9.985,1340 8.247,1341 16.387,1342 12.281,1343 14.484,1344 0.302,1345 0.193,1346 15.866,1347 9.27,1348 10.535,1349 0.185,1350 0.098,1351 10.985,1352 5.562,1353 9.128,1354 0.122,1355 0.053,1356 9.654,1357 3.995,1358 7.441,1359 0.078,1360 0.028,1361 7.809,1362 2.615,1363 0.281,1364 106.757,1365 0.206,1366 29.978,1367 0.496,1368 166,1369 515.313,1370 214.958,1371 514.664,1372 694.96,1373 478,1374 188,1375 481.965,1376 243.646,1377 518.696,1378 743.8,1379 484,1380 5.041}
{0 CHEMBL1644594,1 1.543,2 10.667,3 3.257,4 10.607,5 118.091,6 7.576,7 0.647,8 4.095,9 4.225,10 3.693,11 3.608,12 5.17,13 3.605,14 4.632,15 4.811,16 4.021,17 3.991,18 5.662,19 3.966,20 4.842,21 5.07,22 4.012,23 4.103,24 5.764,25 4.037,26 4.825,27 5.057,28 3.969,29 4.079,30 5.764,31 3.998,32 4.837,33 5.084,34 3.973,35 4.039,36 5.786,37 3.968,38 4.793,39 5.025,40 3.992,41 4.013,42 5.749,43 3.963,44 4.811,45 5.037,46 4.006,47 4.057,48 5.781,49 3.991,50 4.9,51 5.14,52 3.906,53 4.14,54 5.733,55 4.026,56 0.052,57 0.866,58 10.654,59 4.319,60 8.637,61 5.825,62 0.296,63 1.366,64 20.664,65 7.112,66 25.023,67 9.745,68 0.372,69 1.57,70 27.605,71 8.812,72 30.385,73 12.849,74 0.282,75 1.57,76 26.618,77 9.006,78 31.053,79 13.276,80 0.359,81 1.554,82 27.887,83 8.612,84 37.951,85 13.01,86 0.321,87 1.527,88 26.099,89 7.712,90 31.507,91 11.546,92 0.49,93 1.553,94 26.313,95 8.406,96 35.323,97 12.256,98 0.255,99 1.583,100 29.394,101 10.875,102 28.695,103 15.597,105 46,106 0.253,107 0.61,108 0.776,109 0.86,110 0.867,111 0.867,112 3.441,113 0.895,114 -3.87,115 -3.83,116 -3.63,119 41.5,121 1,125 5,142 7,143 2,145 2,146 2,147 1,150 1,152 1,168 1,172 6,174 2,175 8,178 2,180 3,183 7,186 1,187 5,192 2,195 5,198 1,199 7,202 2,204 4,207 2,211 2,212 7,215 1,217 4,220 1,223 2,224 5,229 2,232 2,236 3,237 5,240 4,241 1,242 1,245 2,249 1,250 7,258 3,263 6,268 1,271 5,275 1522,276 21.137,277 21.137,278 21.137,279 21.137,280 21.137,281 18.62,282 20.167,283 12.894,284 21.721,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.094,291 30.354,292 6.189,293 17.807,294 4.185,295 2.013,296 1.003,297 0.491,298 0.453,299 0.453,300 4.158,304 1,305 1,306 718,307 2.646,310 63.731,311 370.582,314 118.454,318 1.533,319 20.032,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 320,332 4.588,333 3.219,334 6.706,335 4.143,336 3.163,337 4.516,338 0.86,339 10.903,340 3.104,341 4.228,342 3.063,343 6.2,344 3.824,345 2.89,346 3.873,347 0.8,348 9.302,349 2.695,350 3.897,351 2.748,352 5.757,353 3.496,354 2.535,355 3.444,356 0.4,357 7.814,358 2.441,359 3.74,360 2.64,361 5.349,362 3.42,363 2.48,364 3.083,366 6.979,367 2.328,368 3.539,369 2.308,370 5.271,371 3.157,372 2.22,373 2.801,375 6.661,376 2.067,377 3.049,378 2.257,379 4.594,380 2.697,381 1.779,382 2.322,384 4.612,385 1.634,386 2.996,387 1.669,388 4.359,389 2.536,390 1.55,391 2.151,393 4.088,394 1.528,395 2.925,396 1.552,397 3.995,398 2.523,399 1.546,400 2.09,402 3.503,403 1.507,404 2.822,405 1.542,406 3.676,407 2.376,408 1.424,409 1.898,411 3.222,412 1.347,413 2.5,414 1.304,415 3.493,416 2.003,417 1.088,418 1.5,420 2.619,421 0.994,422 2.5,423 1.256,424 3.405,425 1.97,426 1,427 1.5,428 2.264,429 0.968,430 2.237,431 1.14,432 3.32,433 1.958,434 1,435 1.215,436 2.231,437 0.955,438 2.18,439 1,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.918,451 1,452 1,454 2.136,455 0.91,456 1.956,457 0.474,458 3.157,459 1.441,460 0.472,461 0.697,463 1.219,464 0.456,465 14.133,466 0.471,467 0.479,468 0.016,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.924,476 0.764,477 31.467,478 0.594,479 29.958,480 0.999,481 8.297,482 0.277,483 6.569,484 0.219,487 0.276,493 0.894,494 1.378,495 0.757,496 1.103,497 0.779,498 0.94,499 1.263,500 1.081,501 0.967,502 0.964,503 1.019,504 0.937,505 1.181,506 1.026,507 1.007,508 0.895,509 1.102,510 0.919,511 0.8,512 1.132,513 1.007,514 1.095,515 1.026,516 1.076,517 0.906,518 1.078,519 0.946,520 0.963,521 1.008,522 0.949,523 1.181,524 1.158,525 1.015,526 0.977,527 1.045,528 0.96,529 0.884,530 0.918,531 1.053,532 0.986,533 0.881,534 1.026,535 0.807,536 1.031,537 1.036,538 1.151,539 0.866,540 1.133,541 4,542 0.068,543 2.444,544 1.25,545 0.879,546 0.924,547 0.419,548 0.24,549 0.269,550 0.172,551 12563,552 31109,553 2.228,554 43.4,556 17,558 2,559 2,560 2,564 1.734,565 2.195,566 3.377,567 0.243,569 1,573 81.779,574 1.543,575 3.715,576 4.725,577 5.237,578 5.275,579 5.275,580 2.698,581 4.24,582 4.876,583 3.565,584 1550.99,585 8.538,586 21739,588 1,590 1,591 303.58,592 0.837,593 4.881,594 0.118,595 0.002,596 0.053,597 0.028,598 0.021,599 0.022,600 0.01,601 0.006,602 0.007,603 0.005,604 0.271,605 0.33,606 0.88,608 153.374,609 0.008,610 -0.183,611 0.076,612 -0.079,613 0.046,614 -0.006,615 -0.066,616 0.031,617 -0.044,618 0.008,619 -0.004,620 -0.018,621 -0.142,622 -0.002,623 -0.04,624 0.076,625 -0.127,626 0.04,627 0.004,628 -0.098,629 -0.062,630 -0.119,631 -0.073,632 -0.104,633 0.025,634 -0.061,635 0.034,636 -0.013,637 0.012,638 0.01,639 -0.119,640 -0.098,641 -0.042,642 -0.049,643 -0.047,644 -0.034,645 0.147,646 0.152,647 -0.093,648 -0.045,649 0.092,650 -0.095,651 -0.025,652 -0.075,653 -0.083,654 -0.121,655 -0.04,656 -0.112,657 1.051,658 2.007,659 0.9,660 29.8,661 1.002,662 1.132,663 2.638,664 6.959,665 0.671,666 3.555,667 3.85,668 4.143,669 4.431,670 4.654,671 4.718,672 4.913,673 5.063,674 5.17,675 5.283,676 6.654,677 0.643,678 401.52,679 3.555,680 5.081,681 5.932,682 6.801,683 7.668,684 8.546,685 9.421,686 10.305,687 11.186,688 12.073,689 13.2,694 1,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,724 1,726 1,731 53,733 22,734 1,735 34,737 57,738 22,739 16,740 3,741 3,746 5,747 6,758 1,761 16,762 6,778 1,781 23,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.417,879 6.611,880 3.218,881 3.8,882 1.484,883 1.029,884 5.555,885 11.651,886 3.829,887 4.422,888 5.041,889 5.663,890 6.19,891 6.484,892 6.954,893 7.382,894 7.667,895 8.051,896 0.857,897 45,898 11.053,900 4.668,901 7.539,902 21.501,904 17.708,905 2.039,906 61.167,909 1,910 247.193,911 120.108,912 104.818,914 11,917 120.108,918 258.193,919 104.818,921 18.036,922 66.334,923 119.572,924 49.154,925 6.371,926 223.651,928 247.193,929 224.926,930 11,933 247.193,935 11,937 60.207,938 79.689,939 85.03,941 247.193,942 115.818,943 120.108,946 247.193,947 35.68,948 87.553,949 34.674,950 78.019,951 247.193,952 115.818,953 120.108,955 0.568,956 0.333,957 0.19,958 0.101,959 23,960 8,961 0.105,962 6,963 1,964 1.074,965 4.287,966 274.889,967 0.074,968 27,969 140.452,974 18.981,975 8.78,976 4.304,977 2.034,978 99.155,979 17.762,980 18.171,981 3.032,984 4.469,986 34.674,987 483.119,988 45,999 53.109,1000 60.019,1001 0.269,1002 0.648,1003 0.825,1004 0.914,1005 0.921,1006 0.921,1007 5.04,1008 1.546,1009 5.878,1010 4.088,1011 4.533,1012 5.109,1013 1.324,1014 6.658,1015 4.434,1016 6.217,1017 1.424,1018 7.403,1019 3.503,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.757,1025 7.503,1026 1.088,1027 9.033,1028 3.222,1029 6.08,1030 7.309,1031 0.958,1032 10.616,1033 5.897,1034 8.83,1035 1,1036 10.73,1037 2.619,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.14,1043 10.195,1044 1,1045 12.472,1046 2.264,1047 7.92,1048 9.838,1049 0.736,1050 14.959,1051 7.67,1052 11.587,1053 1,1054 14.246,1055 2.231,1056 8.626,1057 10.866,1058 0.188,1059 17.047,1060 8.36,1061 13.001,1062 1,1063 16.042,1064 2.136,1065 9.933,1066 12.561,1067 0.57,1068 19.499,1069 9.632,1070 3.163,1071 0.472,1072 17.855,1073 2.136,1074 10.855,1075 13.822,1076 0.125,1077 21.745,1078 10.543,1079 2.89,1080 10.903,1081 19.681,1082 1.219,1083 12.049,1084 15.399,1085 0.439,1086 24.141,1087 11.709,1088 2.535,1089 9.302,1090 21.517,1091 4.516,1092 13.078,1093 16.779,1094 0.082,1095 26.458,1096 12.727,1097 2.48,1098 7.814,1099 23.362,1100 3.873,1101 14.228,1102 18.307,1103 0.334,1104 28.838,1105 13.855,1106 2.22,1107 6.979,1108 25.214,1109 3.444,1110 15.309,1111 19.746,1112 0.054,1113 31.187,1114 14.925,1115 1.779,1116 6.661,1117 27.071,1118 3.083,1119 16.443,1120 21.254,1121 0.252,1122 33.564,1123 16.043,1124 1.55,1125 4.612,1126 28.934,1127 2.801,1128 17.551,1129 22.723,1130 0.035,1131 35.929,1132 17.139,1133 11507,1134 18254,1135 24.038,1136 35.586,1137 50.611,1138 50.61,1139 50.374,1140 50.33,1141 50.295,1142 66.471,1143 4.12,1144 139.376,1145 47.765,1146 5.588,1147 5.219,1148 6.508,1149 5.246,1150 5.163,1151 7.516,1152 1.72,1153 18.126,1154 5.104,1156 1.489,1157 1.489,1158 1.482,1159 1.48,1160 1.479,1161 1.955,1162 0.121,1163 4.099,1164 1.405,1165 4.124,1166 4.164,1167 4.091,1168 4.024,1169 5.116,1170 4.035,1171 3.91,1172 3.964,1173 3.85,1174 3.785,1175 4.952,1176 3.79,1177 3.852,1178 3.903,1179 3.793,1180 3.674,1181 4.88,1182 3.701,1183 3.659,1184 3.719,1185 3.557,1186 3.441,1187 4.608,1188 3.46,1189 3.43,1190 3.503,1191 3.3,1192 3.268,1193 4.387,1194 3.262,1195 3.323,1196 3.392,1197 3.217,1198 3.15,1199 4.12,1200 3.16,1201 3.111,1202 3.206,1203 2.898,1204 2.941,1205 3.976,1206 2.91,1207 2.981,1208 3.043,1209 2.866,1210 2.84,1211 3.841,1212 2.849,1213 0.135,1214 0.095,1215 0.197,1216 0.122,1217 0.093,1218 4.588,1219 0.133,1220 3.219,1221 0.025,1222 6.706,1223 0.321,1224 4.143,1225 0.091,1226 3.163,1227 4.516,1228 0.86,1229 10.903,1230 3.104,1231 1.98,1232 1.957,1233 2.051,1234 2.086,1235 1.226,1236 2.074,1237 1.859,1238 1.818,1239 1.994,1240 1.992,1241 1.173,1242 1.996,1243 1.762,1244 1.711,1245 1.928,1246 1.962,1247 1.164,1248 1.955,1249 1.576,1250 1.518,1251 1.75,1252 1.81,1253 0.839,1254 1.792,1255 1.416,1256 1.35,1257 1.631,1258 1.648,1259 0.825,1260 1.636,1261 1.286,1262 1.208,1263 1.513,1264 1.57,1265 0.723,1266 1.552,1267 1.153,1268 1.064,1269 1.433,1270 1.376,1271 0.392,1272 1.429,1273 1.017,1274 0.96,1275 1.222,1276 1.187,1277 0.296,1278 1.208,1279 4.234,1281 5.533,1282 2.398,1283 7.036,1284 4.595,1285 8.631,1286 6.605,1287 10.276,1295 4.565,1296 3.381,1297 5.507,1300 2.244,1305 34.079,1306 81.779,1307 196.87,1308 250.419,1309 277.58,1310 279.58,1311 279.58,1312 35.228,1313 7.851,1314 91.85,1315 91.85,1316 29,1317 12.606,1318 4.524,1319 3.585,1320 41.334,1321 119,1322 132,1323 0.167,1324 207.117,1325 343.15,1326 497.126,1327 27971,1329 20.175,1330 0.673,1331 0.553,1332 20.175,1333 16.583,1334 14.865,1335 0.437,1336 0.298,1337 9.981,1338 14.219,1339 9.835,1340 8.082,1341 14.865,1342 10.147,1343 12.876,1344 0.28,1345 0.156,1346 12.876,1347 7.169,1348 11.129,1349 0.18,1350 0.084,1351 11.129,1352 5.199,1353 9.683,1354 0.117,1355 0.044,1356 9.683,1357 3.646,1358 7.831,1359 0.075,1360 0.023,1361 7.831,1362 2.41,1363 0.259,1364 93.446,1365 0.204,1366 28.255,1367 0.466,1368 160,1369 444.627,1370 176.172,1371 431.364,1372 607.17,1373 410,1374 188,1375 460.341,1376 204.84,1377 463.789,1378 679.6,1379 439,1380 5.959}
{0 CHEMBL1644595,1 1.543,2 10.667,3 3.115,4 9.702,5 118.668,6 7.576,7 0.647,8 4.095,9 4.225,10 3.693,11 3.608,12 5.172,13 3.605,14 4.631,15 4.812,16 4.018,17 3.995,18 5.658,19 3.969,20 4.839,21 5.062,22 4.012,23 4.114,24 5.757,25 4.044,26 4.846,27 5.084,28 3.969,29 4.084,30 5.77,31 4,32 4.84,33 5.089,34 3.974,35 4.036,36 5.795,37 3.966,38 4.784,39 5.012,40 3.988,41 4.012,42 5.732,43 3.964,44 4.814,45 5.041,46 4.009,47 4.061,48 5.799,49 3.994,50 4.897,51 5.133,52 3.901,53 4.149,54 5.716,55 4.032,56 0.052,57 0.866,58 10.654,59 4.319,60 8.971,61 5.825,62 0.305,63 1.365,64 20.694,65 7.123,66 24.994,67 9.739,68 0.34,69 1.568,70 27.234,71 9.069,72 28.523,73 13.116,74 0.269,75 1.587,76 27.487,77 9.18,78 31.266,79 13.65,80 0.402,81 1.559,82 28.097,83 8.528,84 39.857,85 12.885,86 0.269,87 1.516,88 25.683,89 7.561,90 28.514,91 11.371,92 0.554,93 1.562,94 26.453,95 8.412,96 39.258,97 12.181,98 0.212,99 1.575,100 29.122,101 11.053,102 26.382,103 15.808,105 46,106 0.253,107 0.614,108 0.787,109 0.867,110 0.867,111 0.867,112 3.441,113 0.894,114 -3.87,115 -3.83,116 -3.63,119 41.5,121 1,125 5,142 6,143 3,145 3,146 1,147 1,150 1,152 1,168 1,172 7,174 2,175 7,178 2,180 3,183 7,186 1,187 6,192 3,195 5,198 1,199 7,202 1,204 4,207 1,211 2,212 9,215 2,217 4,220 1,224 5,229 1,232 2,236 5,237 6,240 4,241 1,242 1,245 4,250 3,258 5,262 1,263 6,268 1,271 6,275 1522,276 21.137,277 21.137,278 21.137,279 21.137,280 21.137,281 18.62,282 20.167,283 12.894,284 21.72,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.094,291 30.354,292 6.189,293 17.796,294 4.185,295 1.987,296 0.939,297 0.453,298 0.453,299 0.453,300 4.158,304 1,305 1,306 718,307 2.646,310 63.731,311 370.582,314 118.454,318 1.533,319 19.786,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 320,332 4.588,333 3.219,334 6.706,335 4.143,336 3.163,337 4.516,338 0.86,339 10.903,340 3.104,341 4.228,342 3.063,343 6.2,344 3.824,345 2.89,346 3.873,347 0.8,348 9.302,349 2.695,350 3.897,351 2.748,352 5.757,353 3.515,354 2.535,355 3.444,356 0.4,357 7.814,358 2.495,359 3.74,360 2.64,361 5.349,362 3.421,363 2.48,364 3.083,366 6.979,367 2.329,368 3.539,369 2.308,370 5.271,371 3.158,372 2.22,373 2.801,375 6.661,376 2.068,377 3.049,378 2.257,379 4.594,380 2.696,381 1.779,382 2.322,384 4.612,385 1.631,386 2.996,387 1.669,388 4.359,389 2.536,390 1.55,391 2.151,393 4.088,394 1.528,395 2.925,396 1.552,397 3.995,398 2.501,399 1.546,400 2.09,402 3.503,403 1.473,404 2.822,405 1.542,406 3.676,407 2.375,408 1.424,409 1.898,411 3.222,412 1.346,413 2.5,414 1.304,415 3.493,416 2.003,417 1.088,418 1.5,420 2.619,421 0.994,422 2.5,423 1.256,424 3.405,425 1.97,426 1,427 1.5,428 2.264,429 0.968,430 2.237,431 1.14,432 3.32,433 1.956,434 1,435 1.215,436 2.231,437 0.953,438 2.18,439 1,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.919,451 1,452 1,454 2.136,455 0.911,456 1.956,457 0.474,458 3.157,459 1.441,460 0.472,461 0.697,463 1.219,464 0.456,465 14.133,466 0.471,467 0.479,468 0.016,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.946,476 0.765,477 31.467,478 0.594,479 29.935,480 0.998,481 8.292,482 0.276,483 6.574,484 0.219,487 0.276,493 0.894,494 1.378,495 0.757,496 1.103,497 0.766,498 0.94,499 1.277,500 1.035,501 0.973,502 0.936,503 1.032,504 0.922,505 1.107,506 1.071,507 1.004,508 0.96,509 1.027,510 0.968,511 0.81,512 1.155,513 0.984,514 1.082,515 1.02,516 1.054,517 0.928,518 1.005,519 0.956,520 0.919,521 1.038,522 0.925,523 1.238,524 1.249,525 1.025,526 1.007,527 1.101,528 0.975,529 0.878,530 0.803,531 1.077,532 0.945,533 0.902,534 1.016,535 0.774,536 1.074,537 1.026,538 1.185,539 0.804,540 1.154,541 4,542 0.068,543 2.444,544 1.25,545 0.879,546 0.924,547 0.419,548 0.24,549 0.269,550 0.172,551 12563,552 31281,553 2.228,554 43.4,556 16,558 3,559 2,561 2,564 1.734,565 2.195,566 3.377,567 0.243,569 1,573 81.779,574 1.543,575 3.741,576 4.789,577 5.275,578 5.275,579 5.275,580 2.698,581 4.24,582 4.876,583 3.565,584 1550.99,585 8.538,586 21739,588 1,590 1,591 303.58,592 0.837,593 4.881,594 0.118,595 0.002,596 0.053,597 0.028,598 0.021,599 0.022,600 0.01,601 0.006,602 0.007,603 0.005,604 0.271,605 0.33,606 0.88,608 153.374,609 0.008,610 -0.183,611 0.076,612 -0.079,613 0.059,614 -0.006,615 -0.08,616 0.077,617 -0.05,618 0.037,619 -0.019,620 -0.002,621 -0.112,622 -0.052,623 -0.048,624 0.027,625 -0.104,626 0.001,627 -0.013,628 -0.136,629 -0.031,630 -0.105,631 -0.071,632 -0.076,633 0.033,634 0.018,635 0.028,636 0.022,637 0.005,638 0.026,639 -0.189,640 -0.188,641 -0.057,642 -0.075,643 -0.111,644 -0.047,645 0.182,646 0.278,647 -0.115,648 -0.013,649 0.106,650 -0.094,651 -0.032,652 -0.126,653 -0.08,654 -0.142,655 -0.026,656 -0.121,657 1.043,658 2.008,659 0.9,660 29.8,661 1.002,662 1.132,663 2.638,664 6.959,665 0.671,666 3.555,667 3.85,668 4.143,669 4.431,670 4.654,671 4.718,672 4.913,673 5.063,674 5.17,675 5.283,676 6.654,677 0.643,678 401.52,679 3.555,680 5.081,681 5.932,682 6.801,683 7.668,684 8.546,685 9.421,686 10.305,687 11.186,688 12.073,689 13.2,694 1,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,724 1,726 1,731 53,733 22,734 1,735 34,737 57,738 22,739 16,740 3,741 3,746 5,747 6,758 1,761 16,762 6,778 1,781 23,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.417,879 6.611,880 3.207,881 3.8,882 1.484,883 1.029,884 5.555,885 11.651,886 3.829,887 4.422,888 5.041,889 5.663,890 6.19,891 6.484,892 6.954,893 7.382,894 7.667,895 8.051,896 0.857,897 45,898 11.05,900 4.666,901 7.539,902 21.501,904 17.717,905 2.039,906 61.167,909 1,910 247.193,911 120.108,912 104.818,914 11,917 120.108,918 258.193,919 104.818,921 18.036,922 56.857,923 131.344,924 58.63,925 6.371,926 211.88,928 247.193,929 224.926,930 11,933 223.651,934 23.542,935 11,937 66.498,938 73.398,939 85.03,941 247.193,942 115.818,943 120.108,946 247.193,947 36.108,948 87.124,949 34.674,950 78.019,951 247.193,952 115.818,953 120.108,955 0.568,956 0.333,957 0.19,958 0.101,959 23,960 8,961 0.105,962 6,963 1,964 1.074,965 4.287,966 274.889,967 0.074,968 27,969 143.207,974 18.981,975 8.78,976 4.304,977 2.038,978 99.155,979 17.704,980 17.978,981 3.033,984 4.625,986 34.674,987 483.119,988 45,999 53.109,1000 60.019,1001 0.269,1002 0.653,1003 0.836,1004 0.921,1005 0.921,1006 0.921,1007 5.04,1008 1.546,1009 5.878,1010 4.088,1011 4.533,1012 5.109,1013 1.324,1014 6.658,1015 4.437,1016 6.217,1017 1.424,1018 7.403,1019 3.503,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.771,1025 7.503,1026 1.088,1027 9.033,1028 3.222,1029 6.08,1030 7.309,1031 0.958,1032 10.616,1033 5.905,1034 8.83,1035 1,1036 10.73,1037 2.619,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.158,1043 10.195,1044 1,1045 12.472,1046 2.264,1047 7.92,1048 9.838,1049 0.736,1050 14.959,1051 7.683,1052 11.587,1053 1,1054 14.246,1055 2.231,1056 8.626,1057 10.866,1058 0.188,1059 17.047,1060 8.379,1061 13.001,1062 1,1063 16.042,1064 2.136,1065 9.933,1066 12.561,1067 0.57,1068 19.499,1069 9.647,1070 3.163,1071 0.472,1072 17.855,1073 2.136,1074 10.855,1075 13.822,1076 0.125,1077 21.745,1078 10.56,1079 2.89,1080 10.903,1081 19.681,1082 1.219,1083 12.049,1084 15.399,1085 0.439,1086 24.141,1087 11.724,1088 2.535,1089 9.302,1090 21.517,1091 4.516,1092 13.078,1093 16.779,1094 0.082,1095 26.458,1096 12.742,1097 2.48,1098 7.814,1099 23.362,1100 3.873,1101 14.228,1102 18.307,1103 0.334,1104 28.838,1105 13.868,1106 2.22,1107 6.979,1108 25.214,1109 3.444,1110 15.309,1111 19.746,1112 0.054,1113 31.187,1114 14.937,1115 1.779,1116 6.661,1117 27.071,1118 3.083,1119 16.443,1120 21.254,1121 0.252,1122 33.564,1123 16.053,1124 1.55,1125 4.612,1126 28.934,1127 2.801,1128 17.551,1129 22.723,1130 0.035,1131 35.929,1132 17.148,1133 11507,1134 18300,1135 24.038,1136 35.586,1137 50.611,1138 50.61,1139 50.374,1140 50.319,1141 50.295,1142 66.471,1143 4.12,1144 139.376,1145 47.793,1146 5.588,1147 5.219,1148 6.508,1149 5.246,1150 5.163,1151 7.516,1152 1.72,1153 18.126,1154 5.104,1156 1.489,1157 1.489,1158 1.482,1159 1.48,1160 1.479,1161 1.955,1162 0.121,1163 4.099,1164 1.406,1165 4.124,1166 4.164,1167 4.092,1168 4.024,1169 5.116,1170 4.035,1171 3.913,1172 3.966,1173 3.851,1174 3.797,1175 4.952,1176 3.8,1177 3.853,1178 3.903,1179 3.794,1180 3.674,1181 4.889,1182 3.701,1183 3.658,1184 3.718,1185 3.557,1186 3.439,1187 4.608,1188 3.458,1189 3.421,1190 3.497,1191 3.296,1192 3.243,1193 4.387,1194 3.241,1195 3.322,1196 3.391,1197 3.214,1198 3.149,1199 4.133,1200 3.158,1201 3.111,1202 3.206,1203 2.897,1204 2.941,1205 3.977,1206 2.91,1207 2.979,1208 3.041,1209 2.866,1210 2.838,1211 3.842,1212 2.847,1213 0.135,1214 0.095,1215 0.197,1216 0.122,1217 0.093,1218 4.588,1219 0.133,1220 3.219,1221 0.025,1222 6.706,1223 0.321,1224 4.143,1225 0.091,1226 3.163,1227 4.516,1228 0.86,1229 10.903,1230 3.104,1231 1.98,1232 1.957,1233 2.051,1234 2.087,1235 1.227,1236 2.074,1237 1.867,1238 1.828,1239 2.002,1240 1.993,1241 1.191,1242 1.999,1243 1.762,1244 1.71,1245 1.928,1246 1.962,1247 1.171,1248 1.956,1249 1.572,1250 1.516,1251 1.736,1252 1.809,1253 0.825,1254 1.789,1255 1.398,1256 1.328,1257 1.619,1258 1.646,1259 0.81,1260 1.629,1261 1.285,1262 1.207,1263 1.513,1264 1.566,1265 0.716,1266 1.549,1267 1.153,1268 1.064,1269 1.433,1270 1.376,1271 0.392,1272 1.429,1273 1.017,1274 0.96,1275 1.222,1276 1.187,1277 0.291,1278 1.208,1279 4.234,1281 5.533,1282 2.398,1283 7.036,1284 4.595,1285 8.631,1286 6.605,1287 10.276,1295 4.642,1296 3.393,1297 5.508,1300 2.247,1305 34.079,1306 81.779,1307 198.256,1308 253.805,1309 279.58,1310 279.58,1311 279.58,1312 35.156,1313 7.851,1314 91.85,1315 91.85,1316 29,1317 12.606,1318 4.524,1319 3.585,1320 41.334,1321 119,1322 132,1323 0.167,1324 207.117,1325 343.15,1326 497.126,1327 27971,1329 20.175,1330 0.673,1331 0.553,1332 20.175,1333 16.583,1334 14.865,1335 0.437,1336 0.298,1337 9.97,1338 14.216,1339 9.82,1340 8.075,1341 14.865,1342 10.137,1343 12.876,1344 0.28,1345 0.157,1346 12.876,1347 7.209,1348 11.129,1349 0.18,1350 0.084,1351 11.129,1352 5.228,1353 9.683,1354 0.117,1355 0.044,1356 9.683,1357 3.662,1358 7.831,1359 0.075,1360 0.023,1361 7.831,1362 2.409,1363 0.259,1364 93.491,1365 0.204,1366 28.255,1367 0.466,1368 160,1369 444.627,1370 175.839,1371 431.654,1372 606.33,1373 410,1374 188,1375 457.989,1376 204.673,1377 462.596,1378 677.06,1379 437,1380 6.086}
{0 CHEMBL1644596,1 1.543,2 10.667,3 3.115,4 9.702,5 118.668,6 7.576,7 0.647,8 4.095,9 4.225,10 3.693,11 3.608,12 5.172,13 3.605,14 4.631,15 4.812,16 4.018,17 3.995,18 5.659,19 3.969,20 4.839,21 5.062,22 4.01,23 4.117,24 5.753,25 4.047,26 4.842,27 5.076,28 3.97,29 4.095,30 5.764,31 4.007,32 4.861,33 5.115,34 3.974,35 4.042,36 5.801,37 3.969,38 4.787,39 5.017,40 3.989,41 4.009,42 5.742,43 3.962,44 4.805,45 5.028,46 4.005,47 4.06,48 5.783,49 3.995,50 4.9,51 5.137,52 3.904,53 4.152,54 5.736,55 4.035,56 0.052,57 0.866,58 10.654,59 4.319,60 8.971,61 5.825,62 0.305,63 1.365,64 20.694,65 7.123,66 25.327,67 9.739,68 0.349,69 1.567,70 27.264,71 9.08,72 28.494,73 13.11,74 0.237,75 1.585,76 27.117,77 9.437,78 29.404,79 13.917,80 0.388,81 1.575,82 28.965,83 8.702,84 40.07,85 13.259,86 0.312,87 1.521,88 25.893,89 7.477,90 30.42,91 11.246,92 0.501,93 1.552,94 26.037,95 8.261,96 36.265,97 12.006,98 0.276,99 1.584,100 29.263,101 11.059,102 30.317,103 15.733,105 46,106 0.253,107 0.614,108 0.774,109 0.842,110 0.842,111 0.842,112 3.441,113 0.894,114 -3.87,115 -3.83,116 -3.63,119 41.5,121 1,125 5,142 6,143 3,145 3,146 1,147 1,150 1,152 1,168 1,172 7,174 2,175 7,178 2,180 3,183 8,186 1,187 5,192 3,195 4,198 1,199 8,202 1,204 5,207 1,211 2,212 9,215 1,217 3,220 1,224 7,227 1,229 1,232 2,236 3,237 4,240 4,241 1,242 1,245 4,249 2,250 4,258 7,263 3,268 1,271 6,275 1522,276 21.137,277 21.137,278 21.137,279 21.137,280 21.137,281 18.62,282 20.167,283 12.894,284 21.729,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.094,291 30.354,292 6.189,293 17.802,294 4.185,295 1.987,296 1.015,297 0.604,298 0.604,299 0.604,300 4.158,304 1,305 1,306 718,307 2.646,310 63.731,311 370.582,314 118.454,318 1.533,319 19.576,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 320,332 4.588,333 3.219,334 6.706,335 4.143,336 3.163,337 4.516,338 0.86,339 10.903,340 3.104,341 4.228,342 3.063,343 6.2,344 3.824,345 2.89,346 3.873,347 0.8,348 9.302,349 2.695,350 3.897,351 2.748,352 5.757,353 3.519,354 2.535,355 3.444,356 0.4,357 7.814,358 2.505,359 3.74,360 2.64,361 5.349,362 3.421,363 2.48,364 3.083,366 6.979,367 2.329,368 3.539,369 2.308,370 5.271,371 3.158,372 2.22,373 2.801,375 6.661,376 2.068,377 3.049,378 2.257,379 4.594,380 2.695,381 1.779,382 2.322,384 4.612,385 1.629,386 2.996,387 1.669,388 4.359,389 2.536,390 1.55,391 2.151,393 4.088,394 1.528,395 2.925,396 1.552,397 3.995,398 2.483,399 1.546,400 2.09,402 3.503,403 1.444,404 2.822,405 1.542,406 3.676,407 2.373,408 1.424,409 1.898,411 3.222,412 1.344,413 2.5,414 1.304,415 3.493,416 1.996,417 1.088,418 1.5,420 2.619,421 0.986,422 2.5,423 1.256,424 3.405,425 1.984,426 1,427 1.5,428 2.264,429 0.983,430 2.237,431 1.14,432 3.32,433 1.97,434 1,435 1.215,436 2.231,437 0.968,438 2.18,439 1,440 3.247,441 1.952,442 1,443 1.144,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.917,451 1,452 1,454 2.136,455 0.909,456 1.956,457 0.474,458 3.157,459 1.441,460 0.472,461 0.697,463 1.219,464 0.456,465 14.133,466 0.471,467 0.479,468 0.016,469 41.75,470 1.392,471 21,472 0.7,473 20.75,474 0.692,475 22.961,476 0.765,477 31.467,478 0.594,479 29.92,480 0.997,481 8.292,482 0.276,483 6.573,484 0.219,487 0.276,493 0.894,494 1.378,495 0.757,496 1.103,497 0.766,498 0.94,499 1.277,500 1.035,501 0.973,502 0.936,503 1.024,504 0.922,505 1.117,506 1.035,507 1.009,508 0.937,509 1.037,510 0.956,511 0.737,512 1.2,513 0.981,514 1.146,515 0.946,516 1.102,517 0.935,518 1.031,519 0.934,520 0.91,521 1.032,522 0.907,523 1.261,524 1.172,525 1.036,526 0.959,527 1.133,528 0.949,529 0.932,530 0.89,531 1.088,532 0.974,533 0.956,534 1.031,535 0.769,536 0.972,537 1.048,538 1.149,539 0.822,540 1.145,541 4,542 0.068,543 2.444,544 1.25,545 0.879,546 0.924,547 0.419,548 0.24,549 0.269,550 0.172,551 12563,552 31453,553 2.228,554 43.4,556 16,558 3,559 2,561 2,564 1.734,565 2.195,566 3.377,567 0.243,569 1,573 81.779,574 1.543,575 3.741,576 4.713,577 5.124,578 5.124,579 5.124,580 2.698,581 4.24,582 4.876,583 3.565,584 1550.99,585 8.538,586 21739,588 1,590 1,591 303.58,592 0.837,593 4.881,594 0.118,595 0.002,596 0.053,597 0.028,598 0.021,599 0.022,600 0.01,601 0.006,602 0.007,603 0.005,604 0.271,605 0.33,606 0.88,608 153.374,609 0.008,610 -0.183,611 0.076,612 -0.079,613 0.059,614 -0.006,615 -0.08,616 0.077,617 -0.05,618 0.037,619 -0.011,620 -0.002,621 -0.123,622 -0.015,623 -0.053,624 0.049,625 -0.115,626 0.014,627 0.016,628 -0.185,629 -0.038,630 -0.154,631 -0.048,632 -0.114,633 0.015,634 -0.023,635 0.057,636 0.032,637 0.006,638 0.051,639 -0.181,640 -0.104,641 -0.063,642 -0.037,643 -0.117,644 -0.029,645 0.116,646 0.192,647 -0.131,648 -0.038,649 0.045,650 -0.107,651 -0.001,652 -0.015,653 -0.1,654 -0.114,655 -0.014,656 -0.12,657 1.038,658 2.009,659 0.9,660 29.8,661 1.002,662 1.132,663 2.638,664 6.959,665 0.671,666 3.555,667 3.85,668 4.143,669 4.431,670 4.654,671 4.718,672 4.913,673 5.063,674 5.17,675 5.283,676 6.654,677 0.643,678 401.52,679 3.555,680 5.081,681 5.932,682 6.801,683 7.668,684 8.546,685 9.421,686 10.305,687 11.186,688 12.073,689 13.2,694 1,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,724 1,726 1,731 53,733 22,734 1,735 34,737 57,738 22,739 16,740 3,741 3,746 5,747 6,758 1,761 16,762 6,778 1,781 23,782 7,783 2,784 8,790 7,794 0.8,795 1,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 1.9,874 1,877 13.667,878 9.417,879 6.611,880 3.207,881 3.8,882 1.484,883 1.029,884 5.555,885 11.651,886 3.829,887 4.422,888 5.041,889 5.663,890 6.19,891 6.484,892 6.954,893 7.382,894 7.667,895 8.051,896 0.857,897 45,898 11.049,900 4.664,901 7.539,902 21.501,904 17.717,905 2.039,906 61.167,909 1,910 247.193,911 120.108,912 104.818,914 11,917 120.108,918 258.193,919 104.818,921 18.036,922 56.857,923 131.344,924 58.63,925 6.371,926 211.88,928 247.193,929 224.926,930 11,933 223.651,934 23.542,935 11,937 66.498,938 73.398,939 85.03,941 247.193,942 115.818,943 120.108,946 247.193,947 36.108,948 87.124,949 34.674,950 78.019,951 247.193,952 115.818,953 120.108,955 0.568,956 0.333,957 0.19,958 0.101,959 23,960 8,961 0.105,962 6,963 1,964 1.074,965 4.287,966 274.889,967 0.074,968 27,969 139.207,974 18.981,975 8.78,976 4.304,977 2.04,978 99.155,979 17.689,980 17.88,981 3.034,984 4.684,986 34.674,987 483.119,988 45,999 53.109,1000 60.019,1001 0.269,1002 0.653,1003 0.823,1004 0.895,1005 0.895,1006 0.895,1007 5.04,1008 1.546,1009 5.878,1010 4.088,1011 4.533,1012 5.109,1013 1.324,1014 6.658,1015 4.437,1016 6.217,1017 1.424,1018 7.403,1019 3.503,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.771,1025 7.503,1026 1.088,1027 9.033,1028 3.222,1029 6.08,1030 7.309,1031 0.958,1032 10.616,1033 5.907,1034 8.83,1035 1,1036 10.73,1037 2.619,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.16,1043 10.195,1044 1,1045 12.472,1046 2.264,1047 7.92,1048 9.838,1049 0.736,1050 14.959,1051 7.686,1052 11.587,1053 1,1054 14.246,1055 2.231,1056 8.626,1057 10.866,1058 0.188,1059 17.047,1060 8.382,1061 13.001,1062 1,1063 16.042,1064 2.136,1065 9.933,1066 12.561,1067 0.57,1068 19.499,1069 9.65,1070 3.163,1071 0.472,1072 17.855,1073 2.136,1074 10.855,1075 13.822,1076 0.125,1077 21.745,1078 10.563,1079 2.89,1080 10.903,1081 19.681,1082 1.219,1083 12.049,1084 15.399,1085 0.439,1086 24.141,1087 11.727,1088 2.535,1089 9.302,1090 21.517,1091 4.516,1092 13.078,1093 16.779,1094 0.082,1095 26.458,1096 12.745,1097 2.48,1098 7.814,1099 23.362,1100 3.873,1101 14.228,1102 18.307,1103 0.334,1104 28.838,1105 13.871,1106 2.22,1107 6.979,1108 25.214,1109 3.444,1110 15.309,1111 19.746,1112 0.054,1113 31.187,1114 14.94,1115 1.779,1116 6.661,1117 27.071,1118 3.083,1119 16.443,1120 21.254,1121 0.252,1122 33.564,1123 16.055,1124 1.55,1125 4.612,1126 28.934,1127 2.801,1128 17.551,1129 22.723,1130 0.035,1131 35.929,1132 17.15,1133 11507,1134 18348,1135 24.038,1136 35.586,1137 50.611,1138 50.61,1139 50.374,1140 50.325,1141 50.295,1142 66.471,1143 4.12,1144 139.376,1145 47.789,1146 5.588,1147 5.219,1148 6.508,1149 5.246,1150 5.163,1151 7.516,1152 1.72,1153 18.126,1154 5.104,1156 1.489,1157 1.489,1158 1.482,1159 1.48,1160 1.479,1161 1.955,1162 0.121,1163 4.099,1164 1.406,1165 4.124,1166 4.164,1167 4.092,1168 4.024,1169 5.116,1170 4.035,1171 3.914,1172 3.966,1173 3.852,1174 3.8,1175 4.952,1176 3.803,1177 3.853,1178 3.904,1179 3.794,1180 3.674,1181 4.892,1182 3.701,1183 3.658,1184 3.718,1185 3.557,1186 3.438,1187 4.608,1188 3.458,1189 3.415,1190 3.493,1191 3.293,1192 3.222,1193 4.387,1194 3.226,1195 3.321,1196 3.39,1197 3.211,1198 3.147,1199 4.144,1200 3.155,1201 3.111,1202 3.206,1203 2.894,1204 2.941,1205 3.978,1206 2.91,1207 2.973,1208 3.03,1209 2.866,1210 2.826,1211 3.842,1212 2.837,1213 0.135,1214 0.095,1215 0.197,1216 0.122,1217 0.093,1218 4.588,1219 0.133,1220 3.219,1221 0.025,1222 6.706,1223 0.321,1224 4.143,1225 0.091,1226 3.163,1227 4.516,1228 0.86,1229 10.903,1230 3.104,1231 1.98,1232 1.957,1233 2.051,1234 2.087,1235 1.228,1236 2.074,1237 1.87,1238 1.831,1239 2.005,1240 1.994,1241 1.197,1242 2,1243 1.762,1244 1.71,1245 1.928,1246 1.962,1247 1.172,1248 1.956,1249 1.571,1250 1.515,1251 1.73,1252 1.808,1253 0.825,1254 1.788,1255 1.384,1256 1.31,1257 1.609,1258 1.644,1259 0.798,1260 1.624,1261 1.283,1262 1.205,1263 1.513,1264 1.563,1265 0.71,1266 1.547,1267 1.153,1268 1.064,1269 1.433,1270 1.376,1271 0.391,1272 1.429,1273 1.017,1274 0.959,1275 1.222,1276 1.187,1277 0.283,1278 1.208,1279 4.234,1281 5.533,1282 2.398,1283 7.036,1284 4.595,1285 8.631,1286 6.605,1287 10.276,1295 4.681,1296 3.401,1297 5.509,1300 2.248,1305 34.079,1306 81.779,1307 198.256,1308 249.805,1309 271.58,1310 271.58,1311 271.58,1312 34.984,1313 7.851,1314 91.85,1315 91.85,1316 29,1317 12.606,1318 4.524,1319 3.585,1320 41.334,1321 119,1322 132,1323 0.167,1324 207.117,1325 343.15,1326 497.126,1327 27971,1329 20.175,1330 0.673,1331 0.553,1332 20.175,1333 16.583,1334 14.865,1335 0.437,1336 0.298,1337 9.97,1338 14.212,1339 9.821,1340 8.073,1341 14.865,1342 10.137,1343 12.876,1344 0.28,1345 0.157,1346 12.876,1347 7.203,1348 11.129,1349 0.18,1350 0.085,1351 11.129,1352 5.255,1353 9.683,1354 0.117,1355 0.044,1356 9.683,1357 3.666,1358 7.831,1359 0.075,1360 0.023,1361 7.831,1362 2.408,1363 0.259,1364 93.491,1365 0.204,1366 28.255,1367 0.466,1368 160,1369 444.627,1370 175.839,1371 431.522,1372 606.29,1373 410,1374 188,1375 457.989,1376 204.507,1377 462.302,1378 676.66,1379 437,1380 6.357}
{0 CHEMBL1644597,1 1.565,2 10.241,3 4.047,4 16.376,5 110.883,6 7.75,7 0.667,8 4.043,9 4.155,10 3.662,11 3.571,12 5.129,13 3.574,14 4.579,15 4.738,16 4.001,17 3.948,18 5.652,19 3.933,20 4.766,21 4.972,22 3.979,23 4.045,24 5.736,25 3.988,26 4.746,27 4.966,28 3.885,29 3.983,30 5.699,31 3.909,32 4.716,33 4.945,34 3.922,35 3.911,36 5.7,37 3.863,38 4.649,39 4.836,40 3.956,41 3.89,42 5.688,43 3.885,44 4.667,45 4.842,46 3.95,47 3.982,48 5.71,49 3.934,50 4.788,51 5.014,52 3.893,53 4.043,54 5.671,55 3.952,56 0.03,57 0.77,58 9.548,59 4.253,60 6.707,61 5.358,62 0.371,63 1.237,64 19.096,65 6.944,66 27.202,67 8.818,68 0.39,69 1.434,70 24.713,71 8.602,72 29.964,73 11.68,74 0.304,75 1.391,76 24.49,77 8.725,78 30.054,79 12.067,80 0.368,81 1.321,82 24.811,83 8.493,84 35.675,85 11.689,86 0.363,87 1.28,88 21.986,89 6.653,90 29.983,91 8.499,92 0.527,93 1.323,94 21.401,95 7.647,96 34.426,97 9.897,98 0.198,99 1.427,100 25.685,101 9.862,102 26.246,103 13.729,105 45,106 0.26,107 0.608,108 0.784,109 0.864,110 0.864,111 0.864,112 3.409,113 0.879,114 -3.8,115 -3.77,116 -3.58,119 44,125 5,142 8,143 2,145 1,146 2,147 1,150 1,151 1,152 1,172 7,174 4,175 6,180 3,183 7,186 2,187 4,192 2,195 6,198 2,199 6,204 1,207 2,211 3,212 11,215 1,217 1,220 1,224 6,232 1,236 3,237 9,240 3,245 2,250 8,258 4,263 3,271 5,275 1395,276 20.378,277 20.378,278 20.378,279 20.378,280 20.378,281 17.881,282 17.999,283 12.344,284 21.018,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.603,291 25.879,292 5.959,293 17.41,294 4.079,295 1.984,296 0.92,297 0.44,298 0.44,299 0.44,300 4.126,304 1,305 1,306 668,307 2.449,310 69.32,311 351.044,314 117.045,318 1.491,319 20.63,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 297,332 4.478,333 3.214,334 6.355,335 4.029,336 3.063,337 4.393,338 1.151,339 9.832,340 2.976,341 4.273,342 2.977,343 6.177,344 3.837,345 2.888,346 3.939,347 0.86,348 9.208,349 2.732,350 3.901,351 2.928,352 5.942,353 3.532,354 2.589,355 3.446,356 0.8,357 8.377,358 2.445,359 3.832,360 2.676,361 5.397,362 3.486,363 2.529,364 3.209,366 7.107,367 2.414,368 3.552,369 2.451,370 5.227,371 3.153,372 2.247,373 2.803,375 6.609,376 2.02,377 3.034,378 2.271,379 4.491,380 2.681,381 1.772,382 2.301,384 4.545,385 1.606,386 2.997,387 1.692,388 4.378,389 2.509,390 1.534,391 2.156,393 4.242,394 1.494,395 2.898,396 1.535,397 4.201,398 2.469,399 1.5,400 2.059,402 3.768,403 1.45,404 2.825,405 1.528,406 3.635,407 2.369,408 1.41,409 1.904,411 3.136,412 1.344,413 2.525,414 1.308,415 3.492,416 2.02,417 1.092,418 1.537,420 2.61,421 1.01,422 2.5,423 1.256,424 3.434,425 1.959,426 1,427 1.5,428 2.353,429 0.956,430 2.202,431 1.035,432 3.247,433 1.952,434 1,435 1.177,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.916,442 1,443 1,445 2.136,446 0.908,447 1.903,448 0.968,449 3.12,450 1.486,451 0.606,452 0.716,454 1.435,455 0.529,456 1.821,457 0.409,458 3.04,459 1.38,460 0.408,461 0.607,463 1.01,464 0.396,465 13.667,466 0.471,467 0.496,468 0.017,469 41.25,470 1.422,471 21,472 0.724,473 20.25,474 0.698,475 20.889,476 0.72,477 30.133,478 0.603,479 29.476,480 1.016,481 8.279,482 0.285,483 6.07,484 0.209,487 0.285,493 0.908,494 1.402,495 0.726,496 1.117,497 0.827,498 0.928,499 1.268,500 1.04,501 0.963,502 0.911,503 1.027,504 0.899,505 1.073,506 1.029,507 1.026,508 0.956,509 1.023,510 0.973,511 0.905,512 1.094,513 1.022,514 1.093,515 1.102,516 1.071,517 0.983,518 0.968,519 0.809,520 0.907,521 0.883,522 0.846,523 1.83,524 1.125,525 1.091,526 0.861,527 1.562,528 0.852,529 1.117,530 0.949,531 1.16,532 1.011,533 1.243,534 1.079,535 0.732,536 1.151,537 0.928,538 1.135,539 0.697,540 1.075,541 4.5,542 0.098,543 2.444,544 0.944,545 1.244,546 0.823,547 0.336,548 0.425,549 0.255,550 0.104,551 11516,552 28606,553 2.237,554 42,556 18,557 1,558 1,559 1,564 1.726,565 2.203,566 3.345,567 -0.336,569 1,573 78.237,574 1.565,575 3.66,576 4.724,577 5.204,578 5.204,579 5.204,580 2.738,581 4.418,582 4.827,583 3.512,584 1425.8,585 8.443,586 19477.5,588 1,590 1,591 282.193,592 0.85,593 4.832,594 0.136,595 0.004,596 0.054,597 0.022,598 0.033,599 0.021,600 0.008,601 0.01,602 0.007,603 0.003,604 0.298,605 0.33,606 0.88,608 146.392,609 -0.039,610 -0.266,611 0.079,612 -0.119,613 -0.024,614 -0.02,615 -0.021,616 0.048,617 -0.046,618 0.043,619 0.029,620 -0.005,621 -0.058,622 0.004,623 -0.071,624 0.005,625 -0.049,626 -0.027,627 -0.002,628 -0.084,629 -0.061,630 -0.125,631 -0.104,632 -0.103,633 0.106,634 0.011,635 0.198,636 0.057,637 0.213,638 0.125,639 -0.343,640 -0.054,641 -0.102,642 0.047,643 -0.255,644 0.021,645 0.089,646 0.127,647 -0.229,648 -0.064,649 -0.111,650 -0.177,651 0.007,652 -0.191,653 0.025,654 -0.126,655 0.092,656 -0.06,657 1.318,658 2.408,659 0.931,660 28.19,661 1.005,662 1.125,663 2.574,664 6.627,665 0.681,666 3.526,667 3.829,668 4.111,669 4.382,670 4.625,671 4.691,672 4.898,673 5.063,674 5.187,675 5.313,676 6.444,677 0.655,678 387.48,679 3.526,680 5.056,681 5.905,682 6.772,683 7.636,684 8.509,685 9.38,686 10.257,687 11.133,688 12.014,689 10,695 1,697 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,726 1,729 1,731 50,733 22,734 1,735 33,737 54,738 22,739 17,740 3,741 3,746 5,747 6,761 17,762 5,778 1,781 21,782 6,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,807 1,811 1,812 4,815 1,839 1,840 4,848 29,854 5,856 2,859 1,870 4,874 1,875 1,877 13.167,878 8.967,879 6.333,880 2.976,881 3.796,882 1.486,883 1.03,884 5.116,885 11.606,886 3.807,887 4.41,888 5.02,889 5.624,890 6.165,891 6.47,892 6.964,893 7.422,894 7.753,895 8.182,896 0.857,897 43,898 10.69,900 4.534,901 7.557,902 20.716,904 17.055,905 2.057,906 59.667,908 1,909 1,910 235.422,911 132.023,912 70.266,914 22,917 132.023,918 257.422,919 70.266,921 17.989,922 84.857,923 73.128,924 51.229,925 20.629,926 211.88,928 235.422,929 202.29,930 22,933 235.422,934 11,935 11,937 53.721,938 98.212,939 50.357,941 235.422,942 92.266,943 132.023,946 235.422,947 38.118,948 97.029,949 16.786,950 72.356,951 235.422,952 92.266,953 132.023,955 0.572,956 0.332,957 0.183,958 0.1,959 23,960 8,961 0.093,962 5,963 1,964 1.074,965 4.215,966 262.971,967 0.074,968 27,969 136.881,974 18.104,975 8.195,976 4.09,977 2.243,978 75.481,979 19.769,980 13.627,981 3.259,984 3.873,986 16.786,987 459.711,988 44,999 50.232,1000 56.232,1001 0.277,1002 0.648,1003 0.837,1004 0.922,1005 0.922,1006 0.922,1007 5.021,1008 1.5,1009 5.855,1010 4.242,1011 4.511,1012 5.097,1013 1.806,1014 6.624,1015 4.4,1016 6.203,1017 1.41,1018 7.376,1019 3.768,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.745,1025 7.49,1026 1.092,1027 8.996,1028 3.136,1029 6.057,1030 7.296,1031 1.802,1032 10.497,1033 5.851,1034 8.815,1035 1,1036 10.677,1037 2.61,1038 6.312,1039 7.841,1040 0.268,1041 12.117,1042 6.078,1043 10.175,1044 1,1045 12.397,1046 2.353,1047 7.874,1048 9.798,1049 1.906,1050 14.687,1051 7.59,1052 11.559,1053 1,1054 14.145,1055 2.136,1056 8.547,1057 10.781,1058 0.188,1059 16.657,1060 8.238,1061 12.961,1062 0.606,1063 15.911,1064 2.136,1065 9.844,1066 12.472,1067 2.069,1068 19.033,1069 9.491,1070 3.063,1071 0.408,1072 17.69,1073 1.435,1074 10.726,1075 13.684,1076 0.125,1077 21.158,1078 10.349,1079 2.888,1080 9.832,1081 19.48,1082 1.01,1083 11.903,1084 15.25,1085 2.272,1086 23.459,1087 11.488,1088 2.589,1089 9.208,1090 21.276,1091 4.393,1092 12.891,1093 16.583,1094 0.082,1095 25.654,1096 12.45,1097 2.529,1098 8.377,1099 23.079,1100 3.939,1101 14.016,1102 18.09,1103 2.501,1104 27.928,1105 13.542,1106 2.247,1107 7.107,1108 24.887,1109 3.446,1110 15.056,1111 19.486,1112 0.054,1113 30.158,1114 14.557,1115 1.772,1116 6.609,1117 26.698,1118 3.209,1119 16.161,1120 20.969,1121 2.746,1122 32.422,1123 15.631,1124 1.534,1125 4.545,1126 28.513,1127 2.803,1128 17.23,1129 22.399,1130 0.035,1131 34.67,1132 16.673,1133 10498,1134 16693,1135 23.345,1136 34.029,1137 49.484,1138 49.662,1139 48.949,1140 49.282,1141 49.278,1142 65.491,1143 5.622,1144 137.003,1145 46.453,1146 5.478,1147 5.214,1148 6.157,1149 5.132,1150 5.063,1151 7.393,1152 2.302,1153 16.408,1154 4.976,1156 1.5,1157 1.505,1158 1.483,1159 1.493,1160 1.493,1161 1.985,1162 0.17,1163 4.152,1164 1.408,1165 4.13,1166 4.165,1167 4.089,1168 4.046,1169 5.086,1170 4.052,1171 3.913,1172 3.959,1173 3.864,1174 3.771,1175 4.946,1176 3.782,1177 3.844,1178 3.892,1179 3.783,1180 3.693,1181 4.868,1182 3.714,1183 3.661,1184 3.709,1185 3.562,1186 3.461,1187 4.615,1188 3.476,1189 3.358,1190 3.407,1191 3.275,1192 3.198,1193 4.345,1194 3.211,1195 3.202,1196 3.251,1197 3.077,1198 3.026,1199 4.204,1200 3.028,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.923,1206 2.91,1207 2.951,1208 3.012,1209 2.842,1210 2.814,1211 3.831,1212 2.811,1213 0.136,1214 0.097,1215 0.193,1216 0.122,1217 0.093,1218 4.478,1219 0.133,1220 3.214,1221 0.035,1222 6.355,1223 0.298,1224 4.029,1225 0.09,1226 3.063,1227 4.393,1228 1.151,1229 9.832,1230 2.976,1231 1.974,1232 1.951,1233 2.048,1234 2.08,1235 1.219,1236 2.068,1237 1.839,1238 1.801,1239 1.962,1240 1.977,1241 1.167,1242 1.974,1243 1.76,1244 1.711,1245 1.927,1246 1.958,1247 1.02,1248 1.953,1249 1.555,1250 1.511,1251 1.69,1252 1.766,1253 0.825,1254 1.74,1255 1.475,1256 1.41,1257 1.641,1258 1.696,1259 0.76,1260 1.692,1261 1.187,1262 1.142,1263 1.513,1264 1.414,1265 0.641,1266 1.429,1267 1.153,1268 1.064,1269 1.444,1270 1.376,1271 0.601,1272 1.422,1273 0.983,1274 0.935,1275 1.17,1276 1.166,1277 0.282,1278 1.166,1279 4.205,1281 5.509,1282 2.398,1283 7.013,1284 4.595,1285 8.603,1286 6.581,1287 10.238,1295 3.301,1297 11.39,1300 2.204,1305 32.751,1306 78.237,1307 182.999,1308 236.193,1309 260.193,1310 260.193,1311 260.193,1312 32.343,1313 7.81,1314 76.16,1315 76.16,1316 29,1317 12.551,1318 4.524,1319 3.585,1320 39.323,1321 111,1322 116,1323 0.169,1324 197.525,1325 329.94,1326 473.721,1327 26127,1329 19.468,1330 0.671,1331 0.549,1332 19.468,1333 15.914,1334 14.348,1335 0.435,1336 0.293,1337 9.505,1338 13.718,1339 9.355,1340 7.684,1341 14.348,1342 9.671,1343 12.597,1344 0.28,1345 0.153,1346 12.597,1347 6.883,1348 10.899,1349 0.182,1350 0.083,1351 10.899,1352 4.953,1353 9.259,1354 0.117,1355 0.043,1356 9.259,1357 3.409,1358 7.63,1359 0.076,1360 0.022,1361 7.63,1362 2.26,1363 0.262,1364 90.299,1365 0.207,1366 27.435,1367 0.476,1368 156,1369 450.384,1370 172.717,1371 431.054,1372 604.47,1373 410,1374 183,1375 453.978,1376 200.136,1377 457.715,1378 673.28,1379 432,1380 5.284}
{0 CHEMBL1644598,1 1.757,2 11.581,3 3.137,4 9.839,5 118.631,6 8.177,7 0.529,8 4.109,9 4.208,10 3.889,11 3.634,12 5.185,13 3.617,14 4.661,15 4.812,16 4.119,17 3.972,18 5.959,19 3.951,20 4.858,21 5.056,22 4.084,23 4.079,24 5.951,25 4.025,26 4.816,27 5.027,28 4.052,29 4.06,30 5.866,31 3.981,32 4.835,33 5.04,34 4.067,35 4.029,36 5.961,37 3.977,38 4.787,39 4.982,40 4.015,41 3.969,42 5.868,43 3.94,44 4.722,45 4.908,46 4.018,47 4.007,48 5.759,49 3.949,50 4.82,51 5.034,52 4.026,53 4.103,54 5.86,55 3.995,56 0.13,57 0.848,58 12.684,59 5.061,60 17.99,61 5.844,62 0.662,63 1.306,64 24.648,65 8.264,66 68.866,67 9.766,68 0.712,69 1.502,70 28.175,71 9.211,72 68.948,73 11.704,74 0.463,75 1.468,76 28.664,77 10.032,78 42.496,79 13,80 0.571,81 1.431,82 29.594,83 10.048,84 61.512,85 12.787,86 0.616,87 1.376,88 25.95,89 8.323,90 55.318,91 10.555,92 0.593,93 1.368,94 23.622,95 8.208,96 40.923,97 10.684,98 0.451,99 1.473,100 27.546,101 10.981,102 46.757,103 14.623,104 12,105 47,106 0.289,107 0.607,108 0.773,109 0.834,110 0.834,111 0.834,112 3.472,113 1.031,114 -3.11,115 -3.1,116 -2.98,119 38.9,124 1,125 5,142 8,143 1,144 1,145 1,146 2,147 1,150 1,172 6,174 5,175 6,178 2,180 2,183 6,186 2,187 4,192 2,195 4,198 2,199 11,204 1,207 2,211 3,212 14,224 10,227 1,229 1,236 3,237 6,245 2,249 2,250 7,253 3,258 4,263 5,271 6,275 1825,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.365,282 22.872,283 12.531,284 21.512,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 13.111,291 29.354,292 6.077,293 18.019,294 3.998,295 2.063,296 1.051,297 0.681,298 0.681,299 0.681,300 4.169,304 1,305 1,306 770,307 3.536,311 430.478,318 1.825,319 35.389,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68.5,331 359,332 4.644,333 4.311,334 6.456,335 4.079,336 3.141,337 4.442,338 1.151,339 10.197,340 2.937,341 4.364,342 3.21,343 6.31,344 3.964,345 3.019,346 4.03,347 0.86,348 9.692,349 2.856,350 4.004,351 2.942,352 6.02,353 3.652,354 2.702,355 3.546,356 0.8,357 8.647,358 2.551,359 3.898,360 2.817,361 5.404,362 3.493,363 2.547,364 3.441,366 7.131,367 2.414,368 3.665,369 2.574,370 5.265,371 3.289,372 2.353,373 2.961,375 6.75,376 2.208,377 3.504,378 2.383,379 5.169,380 3.095,381 2.165,382 2.779,384 6.443,385 1.985,386 2.971,387 2.269,388 4.46,389 2.675,390 1.768,391 2.108,393 4.493,394 1.599,395 2.894,396 1.689,397 4.212,398 2.467,399 1.495,400 2.015,402 3.751,403 1.45,404 2.752,405 1.525,406 3.635,407 2.298,408 1.348,409 1.833,411 3.135,412 1.273,413 2.5,414 1.278,415 3.491,416 2,417 1.052,418 1.5,420 2.599,421 1,422 2.5,423 1.256,424 3.414,425 1.959,426 1,427 1.5,428 2.275,429 0.956,430 2.201,431 1,432 3.247,433 1.952,434 1,435 1.177,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.932,442 1,443 1,445 2.136,446 0.92,447 1.822,448 0.98,449 3.135,450 1.486,451 0.605,452 0.715,454 1.435,455 0.528,456 1.346,457 0.753,458 3.118,459 1.004,460 0.045,461 0.055,463 0.123,464 0.043,465 14.667,466 0.473,467 0.798,468 0.026,469 43.5,470 1.403,471 22.5,472 0.726,473 21,474 0.677,475 23.576,476 0.761,477 33.933,478 0.628,479 33.778,480 1.09,481 8.523,482 0.275,483 6.437,484 0.208,485 0.08,486 0.057,487 0.232,493 0.701,494 1.537,495 0.785,496 1.336,497 0.698,498 1.004,499 0.974,500 1.109,501 1.091,502 1.069,503 0.588,504 0.942,505 1.249,506 0.957,507 0.949,508 0.787,509 1.242,510 0.943,511 0.778,512 1.075,513 0.941,514 1.047,515 0.592,516 1.033,517 1.006,518 1.035,519 0.871,520 0.961,521 0.928,522 0.937,523 1.379,524 1.032,525 0.881,526 0.796,527 0.993,528 0.912,529 0.943,530 1.01,531 0.915,532 0.896,533 0.577,534 1.024,535 0.415,536 1.049,537 0.813,538 1.073,539 0.397,540 1.119,541 7,542 0.227,543 2.444,544 1.313,545 1.458,546 1.049,547 0.486,548 0.495,549 0.328,550 0.226,551 13170,552 40663,553 2.096,554 42.6,556 21,558 1,559 1,564 1.741,565 1.989,566 3.497,567 -0.265,569 1,573 94.874,574 1.757,575 3.692,576 4.704,577 5.074,578 5.074,579 5.074,580 2.955,581 4.26,582 4.92,583 3.711,584 1725.44,585 8.623,586 25111.2,588 1,590 1,591 310.764,592 1.379,593 4.892,594 0.206,595 0.007,596 0.052,597 0.03,598 0.035,599 0.024,600 0.012,601 0.012,602 0.008,603 0.006,604 0.391,605 0.33,606 0.88,607 0.805,608 161.562,609 0.034,610 -0.318,611 0.206,612 -0.172,613 -0.143,614 -0.03,615 0.121,616 0.003,617 -0.099,618 -0.047,619 0.285,620 -0.019,621 -0.207,622 0.069,623 -0.117,624 0.084,625 -0.206,626 -0.022,627 -0.011,628 -0.047,629 -0.02,630 -0.078,631 0.027,632 -0.045,633 -0.033,634 -0.058,635 0.028,636 -0.027,637 -0.005,638 0.036,639 -0.256,640 -0.029,641 -0.081,642 0.038,643 -0.156,644 -0.003,645 -0.051,646 0.053,647 -0.107,649 -0.065,650 -0.089,651 0.191,652 -0.056,653 0.039,654 -0.101,655 0.161,656 -0.09,657 4.253,658 4.44,659 0.774,660 36.173,661 1.016,662 1.129,663 1.876,664 3.518,665 0.673,666 3.555,667 3.871,668 4.043,669 4.304,670 4.554,671 4.585,672 4.796,673 4.949,674 5.043,675 5.176,676 7.168,677 0.646,678 441.56,679 3.555,680 5.094,681 5.911,682 6.781,683 7.615,684 8.489,685 9.333,686 10.209,687 11.06,688 11.937,689 9.3,694 1,695 1,699 3,704 9,705 3,709 6,711 18,726 1,729 1,731 54,733 20,734 1,735 34,737 57,738 21,739 15,740 2,741 4,746 4,747 4,761 15,762 6,766 2,769 1,771 2,778 1,781 23,782 9,783 1,784 10,785 1,790 5,794 1,795 4,805 1,806 1,812 4,839 1,840 4,842 1,844 1,848 31,852 1,854 5,855 1,856 2,859 1,870 7.4,873 2,874 1,875 1,877 15.583,878 9.883,879 6.681,880 3.011,881 3.085,882 1.405,883 0.987,884 6.662,885 10.7,886 3.829,887 4.425,888 4.842,889 5.411,890 5.967,891 6.152,892 6.61,893 7.022,894 7.349,895 7.74,896 0.875,897 44,898 11.601,900 5.045,901 7.852,902 21.742,904 17.648,905 2.352,906 72.917,909 1,910 258.964,911 134.013,912 69.886,914 66.313,916 5.807,917 128.206,918 325.277,919 69.886,920 7.19,921 17.989,922 81.617,923 133.846,924 34.627,925 6.714,926 247.193,928 258.964,929 198.092,930 66.313,931 5.807,933 258.964,934 55.313,935 11,937 36.935,938 94.395,939 72.569,941 258.964,942 136.199,943 134.013,945 5.807,946 258.964,947 36.158,948 95.172,949 16.405,950 116.669,951 258.964,952 136.199,953 134.013,955 0.579,956 0.304,957 0.165,958 0.095,959 22,960 9,961 0.123,962 7,964 1,965 4.282,966 274.822,968 24,969 143.58,973 1,974 21.503,975 9.604,976 6.138,978 136.199,979 16.235,980 13.403,984 3.767,986 16.405,987 529.176,988 45,991 -3.336,993 22.879,999 54.847,1000 60.986,1001 0.305,1002 0.642,1003 0.817,1004 0.882,1005 0.882,1006 0.882,1007 5.059,1008 1.495,1009 5.905,1010 4.493,1011 4.554,1012 5.112,1013 1.806,1014 6.683,1015 4.431,1016 6.272,1017 1.348,1018 7.44,1019 3.751,1020 4.205,1021 5.075,1022 0.325,1023 7.678,1024 4.006,1025 7.596,1026 1.052,1027 9.078,1028 3.135,1029 6.163,1030 7.347,1031 1.802,1032 10.626,1033 5.921,1034 8.957,1035 1,1036 10.778,1037 2.599,1038 6.594,1039 8.097,1040 0.268,1041 12.394,1042 6.274,1043 10.35,1044 1,1045 12.516,1046 2.275,1047 8.055,1048 9.897,1049 1.906,1050 14.903,1051 7.693,1052 11.767,1053 1,1054 14.28,1055 2.136,1056 8.84,1057 10.998,1058 0.188,1059 16.973,1060 8.401,1061 13.201,1062 0.605,1063 16.062,1064 2.136,1065 10.095,1066 12.609,1067 2.069,1068 19.338,1069 9.61,1070 3.141,1071 0.045,1072 17.857,1073 1.435,1074 11.052,1075 13.885,1076 0.125,1077 21.536,1078 10.493,1079 3.019,1080 10.197,1081 19.661,1082 0.123,1083 12.221,1084 15.414,1085 2.272,1086 23.851,1087 11.61,1088 2.702,1089 9.692,1090 21.473,1091 4.442,1092 13.261,1093 16.782,1094 0.082,1095 26.105,1096 12.58,1097 2.547,1098 8.647,1099 23.291,1100 4.03,1101 14.397,1102 18.275,1103 2.501,1104 28.406,1105 13.658,1106 2.353,1107 7.131,1108 25.113,1109 3.546,1110 15.479,1111 19.692,1112 0.054,1113 30.684,1114 14.672,1115 2.165,1116 6.75,1117 26.94,1118 3.441,1119 16.603,1120 21.171,1121 2.746,1122 32.983,1123 15.736,1124 1.768,1125 6.443,1126 28.771,1127 2.961,1128 17.706,1129 22.615,1130 0.035,1131 35.274,1132 16.772,1133 12586,1134 22295,1135 22.94,1136 36.347,1137 50.425,1138 52.323,1139 50.226,1140 50.543,1141 50.483,1142 66.206,1143 5.622,1144 141.886,1145 47.333,1146 5.644,1147 6.311,1148 6.258,1149 5.182,1150 5.141,1151 7.442,1152 2.302,1153 16.683,1154 4.937,1155 13.27,1156 1.483,1157 1.539,1158 1.477,1159 1.487,1160 1.485,1161 1.947,1162 0.165,1163 4.173,1164 1.392,1165 4.05,1166 4.066,1167 4.716,1168 3.987,1169 7.718,1170 3.941,1171 3.923,1172 3.932,1173 3.955,1174 3.83,1175 6.999,1176 3.774,1177 3.858,1178 3.894,1179 3.802,1180 3.759,1181 5.07,1182 3.736,1183 3.767,1184 3.786,1185 3.714,1186 3.618,1187 4.876,1188 3.615,1189 3.597,1190 3.633,1191 3.522,1192 3.403,1193 4.706,1194 3.419,1195 3.223,1196 3.265,1197 3.104,1198 3.039,1199 4.615,1200 3.045,1201 3.111,1202 3.206,1203 2.871,1204 2.941,1205 4.273,1206 2.91,1207 2.944,1208 3.012,1209 2.866,1210 2.769,1211 4.003,1212 2.781,1213 0.137,1214 0.127,1215 0.19,1216 0.12,1217 0.092,1218 4.644,1219 0.131,1220 4.311,1221 0.034,1222 6.456,1223 0.3,1224 4.079,1225 0.086,1226 3.141,1227 4.442,1228 1.151,1229 10.197,1230 2.937,1231 1.958,1232 1.937,1233 2.033,1234 2.075,1235 1.214,1236 2.073,1237 1.839,1238 1.803,1239 1.962,1240 1.98,1241 1.135,1242 1.987,1243 1.769,1244 1.752,1245 1.924,1246 1.962,1247 1.02,1248 1.963,1249 1.661,1250 1.658,1251 1.675,1252 1.825,1253 0.945,1254 1.866,1255 1.517,1256 1.479,1257 1.596,1258 1.708,1259 0.825,1260 1.708,1261 1.184,1262 1.137,1263 1.513,1264 1.409,1265 0.71,1266 1.429,1267 1.153,1268 1.064,1269 1.443,1270 1.376,1271 0.602,1272 1.419,1273 0.893,1274 0.832,1275 1.181,1276 1.153,1277 0.255,1278 1.165,1279 4.234,1281 5.549,1283 7.047,1285 8.621,1287 10.235,1289 1.116,1295 2.982,1296 2.458,1297 11.285,1300 2.127,1305 34.894,1306 94.874,1307 199.374,1308 254.009,1309 274.009,1310 274.009,1311 274.009,1312 54.232,1313 7.615,1314 106.54,1315 114.92,1316 24,1317 12.481,1318 4.392,1319 3.585,1320 49.169,1321 129,1322 132,1323 0.18,1324 217.377,1325 374.63,1326 522.159,1327 20368,1329 21.684,1330 0.699,1331 0.577,1332 21.934,1333 17.878,1334 14.96,1335 0.44,1336 0.344,1337 9.764,1338 13.482,1339 9.386,1340 7.744,1341 15.887,1342 11.681,1343 14.118,1344 0.3,1345 0.187,1346 15.501,1347 8.803,1348 10.361,1349 0.185,1350 0.093,1351 10.812,1352 5.193,1353 8.822,1354 0.121,1355 0.051,1356 9.357,1357 3.689,1358 7.363,1359 0.078,1360 0.026,1361 7.728,1362 2.416,1363 0.282,1364 104.165,1365 0.209,1366 29.239,1367 0.494,1368 162,1369 540.716,1370 213.224,1371 531.538,1372 715.9,1373 494,1374 184,1375 496.081,1376 242.023,1377 530.519,1378 764,1379 494,1380 5.208}
{0 CHEMBL1644599,1 1.611,2 9.793,3 3.397,4 11.54,5 109.811,6 7.928,7 0.667,8 4.032,9 4.146,10 3.669,11 3.543,12 5.144,13 3.555,14 4.564,15 4.725,16 4.004,17 3.915,18 5.653,19 3.912,20 4.737,21 4.939,22 3.997,23 4.02,24 5.724,25 3.977,26 4.737,27 4.952,28 3.951,29 3.98,30 5.73,31 3.927,32 4.728,33 4.949,34 3.974,35 3.926,36 5.758,37 3.892,38 4.67,39 4.86,40 3.987,41 3.891,42 5.712,43 3.893,44 4.673,45 4.848,46 4.005,47 3.953,48 5.758,49 3.927,50 4.766,51 4.978,52 3.885,53 4.072,54 5.643,55 3.978,56 0.073,57 0.785,58 9.039,59 4.069,60 7.502,61 5.054,62 0.411,63 1.232,64 18.371,65 6.507,66 27.487,67 8.207,68 0.427,69 1.405,70 23.422,71 8.055,72 28.464,73 10.873,74 0.345,75 1.398,76 23.603,77 8.21,78 29.398,79 11.347,80 0.447,81 1.355,82 24.408,83 8.093,84 38.666,85 11.075,86 0.402,87 1.3,88 22.035,89 6.66,90 29.982,91 8.548,92 0.667,93 1.329,94 21.307,95 7.245,96 38.533,97 9.225,98 0.249,99 1.429,100 23.848,101 9.577,102 23.185,103 13.102,105 45,106 0.268,107 0.622,108 0.781,109 0.854,110 0.861,111 0.861,112 3.409,113 0.867,114 -3.65,115 -3.62,116 -3.45,119 42.9,125 5,142 7,143 2,145 2,146 2,147 1,150 1,152 1,168 1,172 6,174 4,175 7,180 2,183 6,186 2,187 6,192 2,195 4,198 2,199 8,204 1,207 1,211 4,212 12,215 1,217 1,220 1,224 5,236 6,237 9,240 3,245 2,250 5,258 4,263 3,271 5,275 1362,276 20.43,277 20.43,278 20.43,279 20.43,280 20.43,281 17.913,282 17.999,283 12.408,284 21.072,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 12.594,291 25.879,292 5.961,293 17.411,294 4.004,295 1.881,296 0.932,297 0.49,298 0.449,299 0.449,300 4.126,303 1,304 1,305 1,306 638,307 2.449,310 60.256,311 348.017,314 112.012,318 1.429,319 21.857,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 284,332 4.589,333 3.241,334 6.706,335 4.142,336 3.163,337 4.516,338 1.151,339 10.903,340 3.103,341 4.229,342 3.066,343 6.2,344 3.822,345 2.892,346 3.874,347 0.86,348 9.303,349 2.687,350 3.899,351 2.932,352 5.757,353 3.496,354 2.557,355 3.444,356 0.8,357 7.818,358 2.415,359 3.739,360 2.623,361 5.391,362 3.406,363 2.459,364 3.083,366 7.069,367 2.323,368 3.526,369 2.346,370 5.222,371 3.108,372 2.191,373 2.795,375 6.544,376 1.988,377 3.049,378 2.261,379 4.59,380 2.677,381 1.769,382 2.322,384 4.597,385 1.602,386 2.996,387 1.685,388 4.358,389 2.536,390 1.548,391 2.155,393 4.088,394 1.528,395 2.898,396 1.549,397 3.994,398 2.469,399 1.5,400 2.058,402 3.502,403 1.45,404 2.822,405 1.527,406 3.635,407 2.365,408 1.41,409 1.898,411 3.136,412 1.338,413 2.5,414 1.303,415 3.492,416 1.97,417 1.065,418 1.5,420 2.609,421 0.968,422 2.5,423 1.256,424 3.404,425 1.959,426 1,427 1.5,428 2.231,429 0.956,430 2.205,431 1,432 3.247,433 1.952,434 1,435 1.182,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.943,442 1,443 1,445 2.136,446 0.929,447 1.958,448 0.982,449 3.16,450 1.492,451 0.609,452 0.73,454 1.445,455 0.532,456 1.821,457 0.473,458 3.118,459 1.435,460 0.47,461 0.682,463 1.21,464 0.453,465 13.567,466 0.468,467 0.479,468 0.017,469 41.25,470 1.422,471 21,472 0.724,473 20.25,474 0.698,475 21.035,476 0.725,477 30.233,478 0.617,479 29.747,480 1.026,481 8.309,482 0.287,483 6.056,484 0.209,487 0.287,493 0.863,494 1.36,495 0.703,496 1.124,497 0.776,498 0.926,499 1.268,500 1.054,501 0.95,502 0.901,503 1.05,504 0.882,505 1.06,506 1.036,507 0.995,508 0.949,509 0.991,510 0.954,511 0.907,512 1.139,513 0.974,514 1.089,515 1.024,516 1.044,517 1.004,518 0.963,519 0.857,520 0.927,521 0.95,522 0.877,523 1.686,524 1.169,525 1.052,526 0.922,527 1.444,528 0.879,529 1.145,530 0.855,531 1.111,532 0.936,533 1.115,534 1.01,535 0.708,536 1.126,537 1.042,538 1.201,539 0.8,540 1.187,541 4,542 0.061,543 2.444,544 1.125,545 1.039,546 0.813,547 0.381,548 0.376,549 0.237,550 0.109,551 11148,552 29084,553 2.237,554 40.8,556 17,558 2,559 1,564 1.727,565 2.203,566 3.266,567 -0.302,568 1,569 1,573 78.934,574 1.611,575 3.734,576 4.683,577 5.125,578 5.166,579 5.166,580 2.641,581 4.513,582 4.828,583 3.449,584 1400.21,585 8.45,586 18987.6,588 1,590 1,591 275.121,592 0.85,593 4.832,594 0.121,595 0.002,596 0.054,597 0.026,598 0.025,599 0.019,600 0.009,601 0.009,602 0.006,603 0.003,604 0.275,605 0.33,606 0.88,608 145.648,609 -0.002,610 -0.205,611 0.082,612 -0.12,613 0.017,614 -0.025,615 -0.057,616 0.032,617 -0.044,618 0.056,619 -0.013,620 0.01,621 -0.07,622 -0.009,623 -0.052,624 0.023,625 -0.057,626 -0.004,627 -0.013,628 -0.126,629 -0.024,630 -0.117,631 -0.047,632 -0.077,633 0.07,634 0.028,635 0.138,636 0.033,637 0.143,638 0.084,639 -0.314,640 -0.126,641 -0.074,642 0.001,643 -0.234,644 0.01,645 0.153,646 0.218,647 -0.172,648 0.001,649 0.033,650 -0.125,651 -0.049,652 -0.149,653 -0.128,654 -0.166,655 -0.08,656 -0.163,657 1.338,658 2.413,659 0.931,660 26.587,661 1.009,662 1.129,663 2.419,664 5.852,665 0.679,666 3.526,667 3.829,668 4.127,669 4.419,670 4.654,671 4.718,672 4.927,673 5.088,674 5.209,675 5.313,676 6.252,677 0.658,678 388.47,679 3.526,680 5.056,681 5.911,682 6.783,683 7.654,684 8.535,685 9.414,686 10.3,687 11.184,688 12.073,689 12.2,695 1,697 1,699 4,703 2,704 9,705 4,706 1,709 5,711 22,726 1,729 1,731 49,733 22,734 1,735 33,737 53,738 21,739 16,740 3,741 3,746 5,747 6,761 16,762 5,778 1,781 20,782 7,783 1,784 8,790 6,794 0.8,795 2,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 29,854 5,856 2,859 1,870 4.1,874 1,875 1,877 13.167,878 8.833,879 6.361,880 2.906,881 3.824,882 1.49,883 1.026,884 5.074,885 11.634,886 3.807,887 4.41,888 5.035,889 5.66,890 6.196,891 6.497,892 6.982,893 7.424,894 7.741,895 8.128,896 1,897 44,898 10.676,900 4.53,901 7.592,902 20.587,904 16.886,905 2.092,906 60.667,908 1,909 1,910 223.651,911 122.547,912 86.807,914 22,917 122.547,918 245.651,919 86.807,921 17.989,922 66.334,923 101.562,924 60.154,925 8.858,926 200.109,928 223.651,929 209.354,930 22,933 223.651,934 11,935 11,937 62.646,938 79.689,939 67.02,941 223.651,942 108.807,943 122.547,946 223.651,947 38.118,948 87.553,949 16.663,950 89.019,951 223.651,952 108.807,953 122.547,955 0.57,956 0.335,957 0.191,958 0.103,959 23,960 8,961 0.094,962 5,963 1,964 1.074,965 4.168,966 266.221,967 0.074,968 27,969 136.881,974 18.043,975 8.155,976 3.927,977 1.972,978 92.144,979 17.301,980 17.798,981 3.009,984 3.761,986 16.663,987 455.005,988 44,999 49.451,1000 55.315,1001 0.287,1002 0.665,1003 0.834,1004 0.913,1005 0.92,1006 0.92,1007 5.021,1008 1.5,1009 5.861,1010 4.088,1011 4.511,1012 5.097,1013 1.806,1014 6.648,1015 4.399,1016 6.203,1017 1.41,1018 7.391,1019 3.502,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.745,1025 7.492,1026 1.065,1027 9.025,1028 3.136,1029 6.066,1030 7.305,1031 1.802,1032 10.614,1033 5.862,1034 8.822,1035 1,1036 10.725,1037 2.609,1038 6.347,1039 7.88,1040 0.268,1041 12.337,1042 6.123,1043 10.189,1044 1,1045 12.469,1046 2.231,1047 7.912,1048 9.837,1049 1.906,1050 14.959,1051 7.638,1052 11.583,1053 1,1054 14.244,1055 2.136,1056 8.626,1057 10.866,1058 0.188,1059 17.048,1060 8.341,1061 12.998,1062 0.609,1063 16.041,1064 2.136,1065 9.929,1066 12.56,1067 2.069,1068 19.5,1069 9.606,1070 3.163,1071 0.47,1072 17.854,1073 1.445,1074 10.856,1075 13.822,1076 0.125,1077 21.746,1078 10.524,1079 2.892,1080 10.903,1081 19.681,1082 1.21,1083 12.049,1084 15.4,1085 2.272,1086 24.142,1087 11.688,1088 2.557,1089 9.303,1090 21.517,1091 4.516,1092 13.08,1093 16.779,1094 0.082,1095 26.458,1096 12.711,1097 2.459,1098 7.818,1099 23.362,1100 3.874,1101 14.229,1102 18.307,1103 2.501,1104 28.838,1105 13.838,1106 2.191,1107 7.069,1108 25.214,1109 3.444,1110 15.311,1111 19.746,1112 0.054,1113 31.187,1114 14.911,1115 1.769,1116 6.544,1117 27.072,1118 3.083,1119 16.445,1120 21.254,1121 2.746,1122 33.564,1123 16.028,1124 1.548,1125 4.597,1126 28.934,1127 2.795,1128 17.553,1129 22.724,1130 0.035,1131 35.929,1132 17.126,1133 10201,1134 16630,1135 23.345,1136 33.273,1137 49.463,1138 49.65,1139 49.224,1140 49.273,1141 49.266,1142 65.483,1143 5.622,1144 137.449,1145 46.438,1146 5.589,1147 5.241,1148 6.508,1149 5.246,1150 5.163,1151 7.516,1152 2.302,1153 18.126,1154 5.103,1156 1.499,1157 1.505,1158 1.492,1159 1.493,1160 1.493,1161 1.984,1162 0.17,1163 4.165,1164 1.407,1165 4.123,1166 4.162,1167 4.091,1168 4.023,1169 5.13,1170 4.034,1171 3.902,1172 3.948,1173 3.849,1174 3.767,1175 5.01,1176 3.776,1177 3.838,1178 3.888,1179 3.776,1180 3.665,1181 4.87,1182 3.69,1183 3.641,1184 3.691,1185 3.547,1186 3.426,1187 4.615,1188 3.447,1189 3.339,1190 3.406,1191 3.251,1192 3.154,1193 4.406,1194 3.167,1195 3.22,1196 3.264,1197 3.099,1198 3.04,1199 4.257,1200 3.046,1201 3.111,1202 3.206,1203 2.887,1204 2.941,1205 3.976,1206 2.91,1207 2.965,1208 3.018,1209 2.866,1210 2.815,1211 3.832,1212 2.825,1213 0.139,1214 0.098,1215 0.203,1216 0.126,1217 0.096,1218 4.589,1219 0.137,1220 3.241,1221 0.035,1222 6.706,1223 0.33,1224 4.142,1225 0.094,1226 3.163,1227 4.516,1228 1.151,1229 10.903,1230 3.103,1231 1.978,1232 1.956,1233 2.048,1234 2.081,1235 1.224,1236 2.068,1237 1.838,1238 1.801,1239 1.962,1240 1.976,1241 1.172,1242 1.974,1243 1.756,1244 1.705,1245 1.926,1246 1.958,1247 1.02,1248 1.953,1249 1.546,1250 1.499,1251 1.677,1252 1.775,1253 0.825,1254 1.747,1255 1.294,1256 1.219,1257 1.513,1258 1.616,1259 0.73,1260 1.569,1261 1.179,1262 1.129,1263 1.457,1264 1.406,1265 0.604,1266 1.429,1267 1.153,1268 1.064,1269 1.42,1270 1.376,1271 0.39,1272 1.415,1273 1.016,1274 0.958,1275 1.222,1276 1.187,1277 0.283,1278 1.208,1279 4.205,1281 5.509,1282 2.398,1283 7.018,1284 4.595,1285 8.619,1286 6.605,1287 10.268,1295 3.238,1297 11.395,1300 2.192,1305 32.246,1306 78.934,1307 182.966,1308 229.469,1309 251.121,1310 253.121,1311 253.121,1312 33.128,1313 7.81,1314 89.05,1315 89.05,1316 29,1317 12.604,1318 4.524,1319 3.585,1320 39.274,1321 108,1322 116,1323 0.175,1324 194.727,1325 323.64,1326 466.894,1327 26009,1329 19.468,1330 0.671,1331 0.544,1332 19.468,1333 15.784,1334 14.365,1335 0.435,1336 0.289,1337 9.357,1338 13.665,1339 9.222,1340 7.571,1341 14.365,1342 9.537,1343 12.522,1344 0.278,1345 0.15,1346 12.522,1347 6.74,1348 10.888,1349 0.178,1350 0.08,1351 10.888,1352 4.863,1353 9.46,1354 0.115,1355 0.041,1356 9.46,1357 3.383,1358 7.763,1359 0.075,1360 0.021,1361 7.763,1362 2.232,1363 0.269,1364 90.9,1365 0.207,1366 27.272,1367 0.498,1368 156,1369 470.029,1370 174.105,1371 448.462,1372 627.25,1373 426,1374 184,1375 472.106,1376 202.884,1377 474.26,1378 697.12,1379 447,1380 5.87}
{0 CHEMBL1645094,1 1.406,2 6.333,3 1.4,4 1.96,5 57.92,6 8.135,7 0.941,8 3.317,9 3.433,10 2.984,11 2.946,12 4.491,13 2.937,14 3.758,15 3.903,16 3.293,17 3.311,18 4.885,19 3.281,20 3.908,21 4.102,22 3.193,23 3.329,24 4.937,25 3.255,26 3.815,27 4.032,28 2.938,29 3.179,30 4.787,31 3.075,32 3.688,33 3.936,34 2.742,35 2.964,36 4.617,37 2.85,38 3.432,39 3.679,40 2.575,41 2.701,42 4.427,43 2.617,44 3.131,45 3.356,46 2.184,47 2.383,48 4.1,49 2.275,50 2.877,51 3.204,52 1.474,53 1.772,54 3.701,55 1.595,56 0.012,57 0.366,58 3.914,59 1.81,60 4.232,61 2.234,62 0.066,63 0.576,64 6.692,65 2.876,66 7.515,67 3.582,68 0.053,69 0.635,70 9.046,71 3.787,72 9.698,73 4.979,74 0.065,75 0.563,76 8.815,77 3.605,78 11.128,79 4.812,80 0.05,81 0.485,82 8.52,83 3.4,84 10.494,85 4.718,86 0.084,87 0.395,88 6.524,89 2.331,90 9.942,91 3.166,92 0.027,93 0.285,94 4.421,95 1.699,96 5.423,97 2.274,98 0.074,99 0.217,100 4.528,101 1.398,102 7.578,103 2.008,105 23,106 0.276,107 0.567,108 0.764,109 0.836,110 0.836,111 0.836,112 2.796,113 0.842,114 -2.71,115 -2.73,116 -2.65,119 50,142 4,143 3,145 3,151 1,161 1,172 6,175 4,178 1,180 2,183 6,187 4,192 1,195 4,199 3,204 1,207 3,212 1,217 1,220 2,223 1,224 1,229 2,237 1,253 1,275 197,276 10.569,277 10.569,278 10.569,279 10.569,280 10.569,281 8.744,283 6.407,284 10.761,285 8.426,286 8.426,287 8.426,288 8.426,289 8.426,290 5.782,292 3.059,293 8.716,294 3.179,295 1.698,296 0.698,297 0.333,298 0.333,299 0.333,300 3.477,304 1,305 1,306 212,307 1.414,310 28.713,311 70.836,314 49.484,318 1.022,319 6.106,322 1,323 0.83,324 0.83,325 0.4,327 1,328 1,329 0.72,330 31.5,331 95,332 4.46,333 3.003,334 6.29,335 3.983,336 3.003,337 4.388,339 9.571,340 2.948,341 4.072,342 2.662,343 5.992,344 3.643,345 2.662,346 3.679,348 8.539,349 2.608,350 3.319,351 1.832,352 4.512,353 2.794,354 1.832,355 2.713,357 4.624,358 1.762,359 3.034,360 1.534,361 4.324,362 2.481,363 1.534,364 2.301,366 4.15,367 1.448,368 2.735,369 1.248,370 3.536,371 2.192,372 1.248,373 1.847,375 2.79,376 1.175,377 2.5,378 1,379 3.406,380 1.984,381 1,382 1.5,384 2.305,385 0.983,386 2.5,387 1,388 3.247,389 1.961,390 1,391 1.5,393 2.136,394 0.958,395 1.901,396 0.408,397 3.022,398 1.352,399 0.408,400 0.608,402 1.001,403 0.384,404 0.905,405 -0.515,406 2.512,407 0.46,408 -0.515,409 -0.705,411 -1.259,412 -0.501,413 0.626,414 -0.87,415 2.122,416 0.101,417 -0.87,418 -1.3,420 -2.235,421 -0.841,422 0.5,423 -1,424 1.557,425 -0.039,426 -1,427 -1.5,428 -2.347,429 -0.946,430 0.5,431 -1,432 1.555,433 -0.049,434 -1,435 -1.5,436 -2.512,437 -0.959,438 -0.104,439 -1.602,440 1.472,441 -0.633,442 -1.602,443 -2.265,445 -4.612,446 -1.528,447 -0.325,448 -1.738,449 1.014,450 -0.76,451 -1.738,452 -2.412,454 -4.789,455 -1.705,456 -0.5,457 -1.963,458 0.749,459 -0.99,460 -1.963,461 -2.853,463 -4.951,464 -1.889,465 7.2,466 0.48,467 0.239,468 0.016,469 24,470 1.6,471 14,472 0.933,473 10,474 0.667,475 6.742,476 0.449,477 14.4,478 0.6,479 12.867,480 0.858,481 4.854,482 0.324,483 2.579,484 0.172,487 0.278,493 0.942,494 1.156,495 0.693,496 0.877,497 0.805,498 0.779,499 1.024,500 0.972,501 0.907,502 0.903,503 0.992,504 0.893,505 0.965,506 1.089,507 1.028,508 1.087,509 0.927,510 1.07,511 0.973,512 0.96,513 1.132,514 1.088,515 1.096,516 1.122,517 0.753,518 1.023,519 0.937,520 1.053,521 0.864,522 1.026,523 1.077,524 0.831,525 0.982,526 0.86,527 1.056,528 0.899,529 1.162,530 1.383,531 1.275,532 1.378,533 1.068,534 1.348,535 1.191,536 0.749,537 1.13,538 0.885,539 1.166,540 0.976,541 2,543 1.556,544 0.569,545 0.399,546 0.281,547 0.13,548 0.047,549 0.01,551 1780,552 4683,553 2.228,554 37.5,556 4,557 1,558 3,559 1,564 1.529,565 2.195,566 2.742,567 -0.265,571 1,573 33.735,574 1.406,575 2.887,576 3.887,577 4.252,578 4.252,579 4.252,580 2.206,581 3.19,582 3.884,583 2.787,584 292.676,585 6.497,586 2345.58,588 1,591 110.039,592 0.837,593 3.881,594 0.118,596 0.068,597 0.028,598 0.027,599 0.023,600 0.013,601 0.008,602 0.005,604 0.289,605 1,606 1,608 57.87,609 -0.07,610 -0.13,611 0.049,612 -0.014,613 -0.046,614 0.023,615 -0.054,616 0.063,617 -0.113,618 -0.03,619 -0.137,620 -0.069,621 -0.109,622 -0.141,623 -0.125,624 -0.141,625 -0.042,626 -0.136,627 -0.152,628 -0.04,629 -0.181,630 -0.108,631 -0.207,632 -0.14,633 0.057,634 -0.145,635 0.099,636 -0.029,637 0.106,638 0.027,639 0.064,640 0.148,641 0.058,642 0.108,643 0.088,644 0.088,645 -0.121,646 -0.439,647 -0.283,648 -0.432,649 -0.146,650 -0.389,651 0.231,652 0.21,653 0.135,654 0.144,655 0.143,656 0.131,657 0.743,658 1.342,659 1,660 7.36,661 0.998,662 1.114,663 1.483,664 2.198,665 0.721,666 2.89,667 3.178,668 3.466,669 3.714,670 3.871,671 3.871,672 3.989,673 4.007,674 3.807,675 3.714,676 3.917,677 0.694,678 195.24,679 2.89,680 4.394,681 5.242,682 6.103,683 6.965,684 7.832,685 8.7,686 9.57,687 10.44,688 11.311,689 12.5,697 1,699 2,703 2,704 8,705 2,706 1,709 2,711 16,731 24,733 16,735 17,737 26,738 12,739 12,746 3,747 4,761 12,778 1,781 9,782 2,783 1,784 3,790 3,794 0.667,805 2,807 1,811 1,812 2,815 1,840 2,848 15,877 6.833,878 4.317,879 3.306,880 1.354,881 3.127,882 1.507,883 1.066,884 1.833,885 9.288,886 3.258,887 3.907,888 4.571,889 5.202,890 5.719,891 6.028,892 6.52,893 6.925,894 7.029,895 7.339,896 1,897 20,898 5.48,899 -0.001,900 2.303,901 7.578,902 10.542,904 8.595,905 2.078,906 31.167,907 0.005,910 94.169,911 84.754,912 50.357,917 84.754,918 94.169,919 50.357,922 46.952,923 70.6,924 52.872,925 11.771,926 47.084,928 94.169,929 135.111,933 94.169,937 45.643,938 55.897,939 33.571,941 94.169,942 50.357,943 84.754,946 94.169,947 10.659,948 74.095,949 16.786,950 33.571,951 94.169,952 50.357,953 84.754,955 0.57,956 0.337,957 0.187,958 0.095,959 13,960 4,961 0.038,962 1,963 1,964 1.133,965 2.875,966 101.593,967 0.133,968 15,969 54.603,974 8.332,975 3.3,976 1.431,977 2.053,978 33.571,979 15.446,980 8.338,981 3.075,984 2.255,986 16.786,987 229.279,988 25,999 23.956,1000 26.741,1001 0.307,1002 0.63,1003 0.848,1004 0.927,1005 0.927,1006 0.927,1007 4.431,1008 0.408,1009 5.187,1010 2.136,1011 3.85,1012 4.59,1014 5.958,1015 3.791,1016 5.638,1017 -0.515,1018 6.711,1019 1.001,1020 3.219,1021 4.227,1023 6.763,1024 3.172,1025 6.933,1026 -0.87,1027 8.339,1028 -1.259,1029 5.389,1030 6.868,1032 9.864,1033 5.289,1034 8.273,1035 -1,1036 10.032,1037 -2.235,1038 5.673,1039 7.446,1041 11.542,1042 5.586,1043 9.649,1044 -1,1045 11.768,1046 -2.347,1047 7.229,1048 9.44,1050 14.097,1051 7.098,1052 11.05,1053 -1.602,1054 13.531,1055 -2.512,1056 7.938,1057 10.47,1059 16.102,1060 7.81,1061 12.47,1062 -1.738,1063 15.313,1064 -4.612,1065 9.227,1066 12.177,1068 18.463,1069 9.064,1070 3.003,1071 -1.963,1072 17.107,1073 -4.789,1074 10.134,1075 13.43,1077 20.601,1078 9.966,1079 2.662,1080 9.571,1081 18.91,1082 -4.951,1083 11.306,1084 15.006,1086 22.888,1087 11.11,1088 1.832,1089 8.539,1090 20.719,1091 4.388,1092 12.307,1093 16.37,1095 25.082,1096 12.1,1097 1.534,1098 4.624,1099 22.531,1100 3.679,1101 13.428,1102 17.887,1104 27.342,1105 13.198,1106 1.248,1107 4.15,1108 24.347,1109 2.713,1110 14.473,1111 19.306,1113 29.562,1114 14.228,1115 1,1116 2.79,1117 26.166,1118 2.301,1119 15.573,1120 20.798,1122 31.812,1123 15.308,1124 1,1125 2.305,1126 27.986,1127 1.847,1128 16.641,1129 22.244,1131 34.045,1132 16.359,1133 1699,1134 2826,1135 12.019,1136 17.301,1137 25.512,1138 25.375,1139 25.365,1140 25.345,1141 25.375,1142 37.07,1144 70.232,1145 24.531,1146 5.082,1147 5.003,1148 6.092,1149 5.027,1150 5.003,1151 7.388,1153 15.972,1154 4.908,1156 1.501,1157 1.493,1158 1.492,1159 1.491,1160 1.493,1161 2.181,1163 4.131,1164 1.443,1165 4.11,1166 4.15,1167 4.072,1168 4.007,1169 5.079,1170 4.018,1171 3.828,1172 3.872,1173 3.769,1174 3.718,1175 4.877,1176 3.725,1177 3.325,1178 3.385,1179 3.242,1180 3.178,1181 4.335,1182 3.186,1183 2.857,1184 2.937,1185 2.765,1186 2.735,1187 3.931,1188 2.715,1189 2.854,1190 2.925,1191 2.687,1192 2.632,1193 3.674,1194 2.657,1195 2.62,1196 2.696,1197 2.519,1198 2.433,1199 3.606,1200 2.444,1201 2.322,1202 2.423,1203 2.138,1204 2.151,1205 3.068,1206 2.141,1207 2.126,1208 2.238,1209 1.908,1210 1.838,1211 2.985,1212 1.836,1213 0.262,1214 0.177,1215 0.37,1216 0.234,1217 0.177,1218 4.46,1219 0.258,1220 3.003,1222 6.29,1223 0.563,1224 3.983,1225 0.173,1226 3.003,1227 4.388,1229 9.571,1230 2.948,1231 1.956,1232 1.93,1233 2.032,1234 2.055,1235 1.138,1236 2.049,1237 1.696,1238 1.658,1239 1.801,1240 1.85,1241 0.85,1242 1.836,1243 1.464,1244 1.395,1245 1.639,1246 1.687,1247 0.607,1248 1.684,1249 0.995,1250 0.947,1251 1.181,1252 1.157,1253 0.25,1254 1.165,1255 0.886,1256 0.821,1257 1.163,1258 1.062,1259 0.218,1260 1.107,1261 0.603,1262 0.518,1263 0.888,1264 0.867,1266 0.877,1267 0.42,1268 0.332,1269 0.758,1270 0.683,1272 0.716,1275 0.381,1276 0.133,1278 0.23,1279 3.555,1281 4.844,1282 2.398,1283 6.344,1284 4.595,1285 7.934,1286 6.581,1287 9.57,1305 16.645,1306 33.735,1307 69.284,1308 93.284,1309 102.039,1310 102.039,1311 102.039,1312 11.691,1313 6.161,1314 41.57,1315 41.57,1316 17,1317 11.853,1318 4.087,1319 3.17,1320 19.976,1321 35,1322 30,1323 0.292,1324 103.589,1325 160.9,1326 244.518,1327 3164,1329 10.088,1330 0.673,1331 0.534,1332 10.088,1333 8.013,1334 7.433,1335 0.437,1336 0.281,1337 4.718,1338 7.22,1339 4.625,1340 3.848,1341 7.433,1342 4.769,1343 6.422,1344 0.279,1345 0.147,1346 6.422,1347 3.375,1348 5.647,1349 0.182,1350 0.078,1351 5.647,1352 2.414,1353 4.773,1354 0.119,1355 0.041,1356 4.773,1357 1.642,1358 3.649,1359 0.078,1360 0.021,1361 3.649,1362 0.998,1363 0.435,1364 46.004,1365 0.288,1366 15.055,1367 0.858,1368 80,1369 211.623,1370 84.885,1371 213.619,1372 302.32,1373 202,1374 94,1375 230.549,1376 99.162,1377 237.351,1378 343.61,1379 224,1380 4.229}
{0 CHEMBL1645095,1 1.72,2 6.438,3 0.762,4 0.58,5 63.286,6 9.969,7 0.889,8 3.314,9 3.421,10 3.197,11 2.96,12 4.593,13 2.94,14 3.724,15 3.855,16 3.603,17 3.306,18 4.989,19 3.272,20 3.786,21 3.944,22 3.541,23 3.317,24 5.033,25 3.244,26 3.732,27 3.897,28 3.408,29 3.206,30 4.913,31 3.092,32 3.552,33 3.75,34 2.952,35 2.937,36 4.61,37 2.826,38 3.217,39 3.378,40 2.727,41 2.632,42 4.462,43 2.627,44 3.263,45 3.483,46 2.453,47 2.464,48 4.504,49 2.416,50 3.095,51 3.41,52 1.791,53 1.984,54 4.159,55 1.829,56 0.061,57 0.422,58 2.478,59 1.686,60 6.44,61 1.468,62 0.147,63 0.653,64 5.44,65 2.677,66 11.86,67 2.396,68 0.165,69 0.666,70 5.917,71 3.221,72 14.485,73 3.123,74 0.158,75 0.633,76 10.431,77 3.809,78 13.302,79 3.276,80 0.15,81 0.492,82 11.022,83 3.478,84 11.892,85 3.218,86 0.061,87 0.348,88 2.216,89 1.414,90 5.258,91 1.502,92 0.116,93 0.351,94 3.23,95 1.51,96 11.223,97 1.513,98 0.136,99 0.26,100 5.64,101 1.854,102 14.954,103 2.378,104 2,105 25,106 0.341,107 0.676,108 0.811,109 0.811,110 0.811,111 0.811,112 2.855,113 0.906,114 -1.89,115 -1.95,116 -1.95,119 43.5,142 2,143 1,145 2,146 1,147 1,148 1,161 2,163 1,164 1,165 1,172 2,174 1,175 5,177 1,178 1,183 2,186 2,187 3,189 1,190 1,195 2,199 2,201 1,202 1,204 1,209 1,211 1,212 4,217 1,222 1,224 2,229 2,234 2,236 1,249 1,252 1,253 1,275 228,276 11.069,277 11.069,278 11.069,279 11.069,280 11.069,281 9.199,282 3.162,283 6.625,284 11.52,285 8.91,286 8.91,287 8.91,288 8.91,289 8.91,290 6.182,291 2.5,292 3.165,293 9.675,294 2.803,295 1.113,296 0.435,297 0.435,298 0.435,299 0.435,300 3.533,304 1,305 1,306 226,307 1.581,310 26.736,311 79.605,314 53.459,318 1.063,319 12.337,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 34.5,331 103,332 4.58,333 3.145,334 6.555,335 4.043,336 3.129,337 4.533,339 10.391,340 2.863,341 4.05,342 2.681,343 6.032,344 3.626,345 2.662,346 3.635,348 8.611,349 2.563,350 3.441,351 2.061,352 5.039,353 2.888,354 2,355 2.85,357 5.716,358 1.758,359 3.192,360 1.726,361 4.399,362 2.628,363 1.719,364 2.512,366 4.324,367 1.554,368 2.92,369 1.436,370 4.036,371 2.351,372 1.436,373 2.119,375 3.402,376 1.311,377 2.5,378 1,379 3.481,380 1.984,381 1,382 1.5,384 2.509,385 0.983,386 2.5,387 1,388 3.247,389 1.909,390 1,391 1.5,393 2.136,394 0.899,395 2.064,396 0.681,397 3.247,398 1.46,399 0.621,400 0.878,402 1.587,403 0.514,404 1.081,405 -0.203,406 2.455,407 0.59,408 -0.301,409 -0.399,411 -0.693,412 -0.266,413 0.734,414 -0.663,415 2.321,416 0.283,417 -0.678,418 -0.911,420 -1.552,421 -0.649,422 0.5,423 -1,424 2,425 -0.049,426 -1,427 -1.5,428 -2.347,429 -0.871,430 0.5,431 -1,432 1.555,433 -0.116,434 -1,435 -1.5,436 -2.881,437 -0.946,438 0.097,439 -1.183,440 1.538,441 -0.363,442 -1.273,443 -1.715,445 -3.289,446 -1.116,447 -0.102,448 -1.445,449 1.251,450 -0.532,451 -1.473,452 -2.026,454 -4.359,455 -1.373,456 -0.417,457 -1.894,458 1.176,459 -0.985,460 -1.899,461 -2.641,463 -4.789,464 -1.577,465 7.833,466 0.49,467 0.329,468 0.021,469 25.75,470 1.609,471 14.5,472 0.906,473 11.25,474 0.703,475 8.279,476 0.517,477 15.567,478 0.677,479 13.851,480 0.866,481 4.937,482 0.309,483 2.907,484 0.182,485 0.051,487 0.319,493 1.053,494 1.151,495 0.669,496 0.74,497 1.15,498 0.678,499 0.876,500 1.009,501 0.773,502 0.866,503 0.809,504 0.731,505 0.833,506 0.873,507 0.862,508 0.833,509 0.767,510 0.881,511 1.019,512 1.204,513 1.575,514 1.518,515 1.051,516 1.212,517 0.999,518 0.994,519 1.674,520 1.491,521 0.815,522 1.197,523 1.068,524 1.345,525 0.595,526 0.912,527 0.872,528 1.133,529 1.386,530 1.07,531 0.876,532 0.912,533 1.645,534 1.336,535 0.861,536 0.625,537 0.736,538 0.733,539 1.238,540 1.142,541 2.5,543 1.778,544 0.944,545 0.774,546 0.372,547 0.127,548 0.066,549 0.03,551 2021,552 6624,553 2.174,554 30.4,556 2,558 3,559 2,564 1.551,565 2.087,566 2.755,567 0.573,571 1,573 39.562,574 1.72,575 3.41,576 4.089,577 4.089,578 4.089,579 4.089,580 2.203,581 3.453,582 3.975,583 2.822,584 338.691,585 6.693,586 2851.37,588 1,591 104.042,592 1.198,593 3.954,594 0.139,596 0.071,597 0.041,598 0.043,599 0.029,600 0.011,601 0.008,602 0.01,604 0.352,605 0.67,606 1,607 0.5,608 63.32,609 -0.242,610 -0.129,611 0.023,612 0.072,613 -0.3,614 0.06,615 0.038,616 0.032,617 0.104,618 0.056,619 -0.025,620 0.07,621 0.084,622 0.126,623 0.06,624 0.117,625 0.102,626 0.001,627 -0.09,628 -0.192,629 -0.225,630 -0.273,631 -0.096,632 -0.214,633 -0.083,634 -0.045,635 -0.364,636 -0.278,637 0.01,638 -0.105,639 -0.193,640 -0.443,641 -0.131,642 -0.302,643 0.018,644 -0.329,645 -0.283,646 -0.159,647 -0.273,648 -0.248,649 -0.396,650 -0.447,651 0.312,652 0.15,653 0.216,654 0.146,655 0.132,656 0.118,657 1.249,658 1.728,659 0.938,660 8.531,661 1.02,662 1.123,663 0.663,664 0.439,665 0.758,666 2.944,667 3.258,668 3.555,669 3.829,670 4.025,671 4.06,672 4.111,673 4.159,674 4.043,675 3.892,676 4.035,677 0.731,678 229.29,679 2.944,680 4.466,681 5.323,682 6.201,683 7.077,684 7.964,685 8.848,686 9.739,687 10.627,688 11.519,689 21.7,693 1,699 4,703 2,704 5,705 4,708 1,709 3,711 16,722 1,731 23,733 16,735 18,737 25,738 10,739 10,746 3,747 4,761 10,778 1,781 7,782 5,783 2,784 6,785 1,790 5,794 0.667,805 1,806 1,811 1,812 2,815 1,840 2,842 1,848 16,849 1,863 1,877 7.667,878 4.217,879 3.5,880 1.21,881 3.146,882 1.497,883 1.054,884 2.169,885 9.47,886 3.296,887 3.966,888 4.638,889 5.29,890 5.839,891 6.18,892 6.611,893 7.041,894 7.227,895 7.464,896 1,897 23,898 5.825,900 2.469,901 7.76,902 10.956,904 8.849,905 2.26,906 36.167,907 0.002,910 58.856,911 85.848,912 100.039,916 31.278,917 54.57,918 58.856,919 100.039,922 51.85,923 103.702,924 32.043,925 2.328,926 54.82,928 58.856,929 154.609,931 31.278,933 58.856,937 30.104,938 57.363,939 67.142,940 31.278,941 58.856,942 100.039,943 85.848,946 58.856,947 40.182,948 45.666,950 100.039,951 58.856,952 100.039,953 85.848,955 0.577,956 0.343,957 0.191,958 0.103,959 14,960 5,961 0.04,962 1,963 1,964 1.133,965 2.913,966 112.648,967 0.133,968 15,969 60,970 1,974 9.459,975 3.669,976 1.618,977 1.471,978 100.039,979 8.724,980 16.44,983 1.495,984 2.309,986 32.897,987 244.743,988 26,999 23.469,1000 25.827,1001 0.38,1002 0.754,1003 0.904,1004 0.904,1005 0.904,1006 0.904,1007 4.489,1008 0.621,1009 5.293,1010 2.136,1011 3.932,1012 4.649,1014 6.103,1015 3.771,1016 5.714,1017 -0.301,1018 6.845,1019 1.587,1020 3.434,1021 4.407,1023 6.986,1024 3.212,1025 7.026,1026 -0.678,1027 8.502,1028 -0.693,1029 5.509,1030 6.953,1032 10.112,1033 5.203,1034 8.382,1035 -1,1036 10.222,1037 -1.552,1038 5.889,1039 7.618,1041 11.86,1042 5.506,1043 9.773,1044 -1,1045 11.983,1046 -2.347,1047 7.403,1048 9.57,1050 14.471,1051 6.951,1052 11.19,1053 -1.273,1054 13.772,1055 -2.881,1056 8.188,1057 10.673,1059 16.554,1060 7.647,1061 12.628,1062 -1.473,1063 15.58,1064 -3.289,1065 9.471,1066 12.369,1068 18.987,1069 8.86,1070 3.129,1071 -1.899,1072 17.401,1073 -4.359,1074 10.444,1075 13.686,1077 21.208,1078 9.737,1079 2.662,1080 10.391,1081 19.232,1082 -4.789,1083 11.631,1084 15.271,1086 23.575,1087 10.848,1088 2,1089 8.611,1090 21.071,1091 4.533,1092 12.69,1093 16.69,1095 25.857,1096 11.808,1097 1.719,1098 5.716,1099 22.916,1100 3.635,1101 13.84,1102 18.228,1104 28.201,1105 12.876,1106 1.436,1107 4.324,1108 24.765,1109 2.85,1110 14.938,1111 19.695,1113 30.511,1114 13.877,1115 1,1116 3.402,1117 26.618,1118 2.512,1119 16.075,1120 21.215,1122 32.847,1123 14.926,1124 1,1125 2.509,1126 28.473,1127 2.119,1128 17.192,1129 22.704,1131 35.17,1132 15.946,1133 1961,1134 3655,1135 12.425,1136 17.438,1137 27.381,1138 27.105,1139 27.628,1140 27.112,1141 27.133,1142 39.054,1144 77.35,1145 24.888,1146 5.221,1147 5.145,1148 6.357,1149 5.163,1150 5.129,1151 7.533,1153 17.181,1154 4.799,1155 4.473,1156 1.521,1157 1.506,1158 1.535,1159 1.506,1160 1.507,1161 2.17,1163 4.297,1164 1.383,1165 4.05,1166 4.077,1167 4.324,1168 4.004,1169 5.252,1170 3.966,1171 3.794,1172 3.841,1173 3.745,1174 3.675,1175 4.918,1176 3.683,1177 3.226,1178 3.282,1179 3.422,1180 3.095,1181 4.762,1182 3.062,1183 2.985,1184 3.1,1185 2.905,1186 2.735,1187 4.421,1188 2.717,1189 2.854,1190 2.925,1191 2.687,1192 2.692,1193 3.734,1194 2.715,1195 2.641,1196 2.708,1197 2.589,1198 2.467,1199 3.674,1200 2.48,1201 2.278,1202 2.379,1203 2.359,1204 1.99,1205 3.673,1206 1.95,1207 1.992,1208 2.063,1209 2.003,1210 1.831,1211 2.805,1212 1.837,1213 0.254,1214 0.175,1215 0.364,1216 0.225,1217 0.174,1218 4.58,1219 0.252,1220 3.145,1222 6.555,1223 0.577,1224 4.043,1225 0.159,1226 3.129,1227 4.533,1229 10.391,1230 2.863,1231 1.84,1232 1.811,1233 1.932,1234 1.966,1235 0.995,1236 1.956,1237 1.763,1238 1.727,1239 1.781,1240 1.931,1241 0.82,1242 1.911,1243 1.169,1244 1.155,1245 1.187,1246 1.324,1247 0.261,1248 1.33,1249 0.886,1250 0.821,1251 1.181,1252 1.193,1253 0.218,1254 1.176,1255 0.807,1256 0.729,1257 1.059,1258 1.062,1260 1.107,1261 0.774,1262 0.682,1263 0.868,1264 0.92,1266 0.953,1267 0.411,1268 0.327,1269 0.562,1270 0.65,1272 0.685,1275 0.381,1276 0.255,1278 0.236,1279 3.611,1281 4.92,1282 2.398,1283 6.438,1284 4.727,1285 8.046,1286 6.862,1287 9.698,1293 5.728,1305 16.821,1306 39.562,1307 78.432,1308 94.042,1309 94.042,1310 94.042,1311 94.042,1312 14.862,1313 6.324,1314 77.58,1315 105.82,1316 17,1317 12.047,1318 4.087,1319 3.17,1320 21.774,1321 39,1322 34,1323 0.292,1324 109.124,1325 166.81,1326 258.023,1327 3829,1329 10.958,1330 0.685,1331 0.561,1332 11.311,1333 8.978,1334 7.843,1335 0.436,1336 0.302,1337 4.616,1338 7.108,1339 4.464,1340 3.702,1341 8.252,1342 5.435,1343 6.962,1344 0.278,1345 0.166,1346 7.604,1347 4.145,1348 6.068,1349 0.178,1350 0.093,1351 6.874,1352 3.163,1353 5.137,1354 0.114,1355 0.051,1356 6.073,1357 2.31,1358 4.057,1359 0.074,1360 0.027,1361 4.876,1362 1.476,1363 0.435,1364 53.248,1365 0.284,1366 15.919,1367 0.869,1368 86,1369 268.753,1370 120.756,1371 287.712,1372 400.67,1373 270,1374 102,1375 287.447,1376 134.072,1377 308.946,1378 453.6,1379 290,1380 4.644}
{0 CHEMBL1645096,1 1.626,2 6.938,3 1.863,4 3.47,5 56.874,6 8.843,7 0.889,8 3.349,9 3.424,10 3.062,11 2.929,12 4.627,13 2.955,14 3.771,15 3.869,16 3.412,17 3.262,18 5.068,19 3.286,20 3.922,21 4.068,22 3.326,23 3.243,24 5.152,25 3.245,26 3.844,27 4.017,28 3.115,29 3.038,30 5.05,31 3.032,32 3.553,33 3.727,34 2.909,35 2.848,36 4.814,37 2.827,38 3.299,39 3.439,40 2.636,41 2.785,42 4.397,43 2.715,44 3.32,45 3.525,46 2.424,47 2.599,48 4.439,49 2.499,50 3.158,51 3.416,52 1.965,53 2.066,54 4.322,55 1.98,56 0.072,57 0.332,58 3.283,59 1.963,60 7.064,61 1.888,62 0.14,63 0.518,64 5.381,65 2.947,66 8.615,67 2.973,68 0.21,69 0.581,70 8.311,71 3.677,72 19.847,73 3.738,74 0.292,75 0.526,76 9.043,77 3.403,78 25.423,79 3.486,80 0.298,81 0.405,82 6.626,83 2.491,84 22.563,85 2.765,86 0.064,87 0.309,88 3.737,89 2.188,90 5.047,91 2.513,92 0.071,93 0.309,94 5.101,95 2.401,96 5.955,97 3.106,98 0.141,99 0.258,100 5.808,101 1.878,102 16.428,103 2.311,104 2,105 25,106 0.32,107 0.612,108 0.757,109 0.836,110 0.836,111 0.836,112 2.854,113 0.805,114 -2.44,115 -2.47,116 -2.42,119 50,142 5,143 1,144 1,145 2,146 1,152 1,161 1,172 3,174 1,175 6,180 2,183 2,187 8,192 1,195 1,199 1,202 1,207 2,211 2,215 1,220 5,229 1,232 2,237 2,242 2,250 1,266 1,275 230,276 11.016,277 11.016,278 11.016,279 11.016,280 11.016,281 9.166,282 2.157,283 6.601,284 11.182,285 8.926,286 8.926,287 8.926,288 8.926,289 8.926,290 6.203,291 1.163,292 3.191,293 9.2,294 2.959,295 1.469,296 0.734,297 0.333,298 0.333,299 0.333,300 3.533,304 1,305 1,306 244,307 1.581,310 27.552,311 80.302,314 53.925,318 1.078,319 15.193,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 35,331 111,332 4.526,333 3.088,334 6.383,335 4.052,336 3.074,337 4.463,339 9.928,340 3.005,341 4.028,342 2.686,343 5.92,344 3.613,345 2.626,346 3.62,348 8.306,349 2.59,350 3.551,351 2.329,352 4.965,353 3.094,354 2.137,355 2.982,357 5.843,358 2.036,359 3.157,360 1.713,361 4.419,362 2.647,363 1.698,364 2.448,366 4.352,367 1.609,368 3.015,369 1.52,370 4.352,371 2.496,372 1.519,373 2.267,375 4.119,376 1.481,377 2.533,378 1.048,379 3.485,380 1.991,381 1.038,382 1.55,384 2.57,385 0.986,386 2.5,387 1,388 3.247,389 1.984,390 1,391 1.5,393 2.136,394 0.983,395 1.945,396 0.538,397 3.159,398 1.436,399 0.469,400 0.685,402 1.178,403 0.451,404 0.971,405 -0.123,406 2.461,407 0.537,408 -0.397,409 -0.514,411 -1.009,412 -0.365,413 0.746,414 -0.625,415 2.325,416 0.311,417 -0.66,418 -0.885,420 -1.542,421 -0.639,422 0.58,423 -0.901,424 2,425 0.07,426 -0.911,427 -1.355,428 -2.347,429 -0.892,430 0.5,431 -1,432 1.555,433 -0.049,434 -1,435 -1.5,436 -2.636,437 -0.946,438 0.051,439 -1.161,440 1.537,441 -0.379,442 -1.32,443 -1.791,445 -3.378,446 -1.234,447 -0.039,448 -1.418,449 1.265,450 -0.459,451 -1.428,452 -1.991,454 -4.474,455 -1.396,456 -0.422,457 -1.893,458 1.034,459 -0.925,460 -1.904,461 -2.64,463 -4.789,464 -1.805,465 7.467,466 0.467,467 0.346,468 0.022,469 25.25,470 1.578,471 14.5,472 0.906,473 10.75,474 0.672,475 7.44,476 0.465,477 15.933,478 0.664,479 14.545,480 0.909,481 5.132,482 0.321,483 2.694,484 0.168,485 0.045,487 0.335,493 0.936,494 1.113,495 0.655,496 0.907,497 0.985,498 0.759,499 0.848,500 1.147,501 0.755,502 1.042,503 0.661,504 0.908,505 1.228,506 1.115,507 1.031,508 1.068,509 1.118,510 1.013,511 1.413,512 0.961,513 1.146,514 0.923,515 1.055,516 0.96,517 0.829,518 0.496,519 0.99,520 0.648,521 0.727,522 0.8,523 0.556,524 1.178,525 1.12,526 1.303,527 0.61,528 1.356,529 0.478,530 1.255,531 1.03,532 1.397,533 0.708,534 1.374,535 1.271,536 1.05,537 1.223,538 1.054,539 1.821,540 1.105,541 3,543 1.556,544 0.917,545 0.729,546 0.365,547 0.127,548 0.106,549 0.037,550 0.016,551 2065,552 6466,553 2.174,554 33.3,556 5,558 2,559 1,564 1.55,565 2.087,566 2.848,567 -0.229,571 1,573 39.02,574 1.626,575 3.116,576 3.851,577 4.252,578 4.252,579 4.252,580 2.281,581 3.328,582 3.973,583 2.889,584 346.721,585 6.683,586 2907.23,588 1,591 110.039,592 1.198,593 3.954,594 0.167,596 0.062,597 0.042,598 0.043,599 0.026,600 0.012,601 0.013,602 0.009,603 0.016,604 0.389,605 0.83,606 1,607 0.5,608 63.64,609 -0.127,610 -0.129,611 0.017,612 -0.011,613 -0.206,614 0.026,615 0.003,616 -0.135,617 -0.024,618 -0.158,619 0.015,620 -0.11,621 -0.197,622 -0.155,623 -0.116,624 -0.132,625 -0.151,626 -0.106,627 -0.184,629 -0.105,630 0.035,631 -0.084,632 -0.006,633 0.265,634 0.519,635 0.011,636 0.304,637 0.174,638 0.149,639 -0.031,640 -0.28,641 -0.322,642 -0.333,643 -0.074,644 -0.394,645 0.105,646 -0.394,647 -0.01,648 -0.376,649 0.121,650 -0.265,651 -0.148,652 -0.134,653 0.078,654 -0.025,655 -0.15,656 0.062,657 1.484,658 3.318,659 0.938,660 8.844,661 1.021,662 1.111,663 1.211,664 1.466,665 0.717,666 2.944,667 3.258,668 3.526,669 3.807,670 4.025,671 4.043,672 4.127,673 4.19,674 4.043,675 3.892,676 4.146,677 0.711,678 212.22,679 2.944,680 4.466,681 5.313,682 6.188,683 7.057,684 7.939,685 8.817,686 9.702,687 10.584,688 11.471,689 8.3,699 2,703 2,704 7,705 2,707 1,709 3,711 16,728 1,731 24,733 16,734 1,735 18,737 26,738 12,739 12,740 3,741 3,746 3,747 4,761 12,778 1,781 8,782 4,783 1,784 4,790 2,794 0.667,795 2,799 1,805 1,811 1,812 2,815 1,840 2,848 16,853 1,870 8.3,872 1,875 1,877 7.667,878 4.35,879 3.472,880 1.325,881 3.129,882 1.495,883 0.994,884 2.031,885 9.453,886 3.296,887 3.966,888 4.616,889 5.273,890 5.844,891 6.175,892 6.626,893 7.061,894 7.221,895 7.464,896 0.8,897 22,898 5.845,900 2.505,901 7.865,902 10.92,904 8.842,905 2.365,906 37.833,907 0.002,910 82.398,911 80.662,912 33.571,914 52.191,917 80.662,918 134.588,919 33.571,922 47.381,923 104.817,924 32.932,925 4.836,926 58.856,928 82.398,929 114.233,930 52.191,933 82.398,934 52.191,937 25.259,938 55.403,939 33.571,941 82.398,942 85.762,943 80.662,946 82.398,947 15.186,948 65.476,950 85.762,951 82.398,952 85.762,953 80.662,955 0.578,956 0.332,957 0.185,958 0.105,959 14,960 5,961 0.038,962 1,963 1,964 1.133,965 2.933,966 111.782,967 0.133,968 15,969 58,974 9.218,975 3.524,976 1.64,977 1.302,978 85.762,979 11.855,980 8.219,982 5.559,984 1.579,986 42.683,987 248.821,988 26,999 24.509,1000 26.661,1001 0.355,1002 0.68,1003 0.84,1004 0.927,1005 0.927,1006 0.927,1007 4.489,1008 0.469,1009 5.283,1010 2.136,1011 3.932,1012 4.649,1014 6.071,1015 3.876,1016 5.714,1017 -0.397,1018 6.819,1019 1.178,1020 3.434,1021 4.407,1023 6.88,1024 3.353,1025 7.022,1026 -0.66,1027 8.454,1028 -1.009,1029 5.493,1030 6.94,1032 9.986,1033 5.396,1034 8.371,1035 -0.911,1036 10.148,1037 -1.542,1038 5.832,1039 7.567,1041 11.648,1042 5.713,1043 9.751,1044 -1,1045 11.88,1046 -2.347,1047 7.347,1048 9.523,1050 14.236,1051 7.212,1052 11.156,1053 -1.32,1054 13.638,1055 -2.636,1056 8.086,1057 10.583,1059 16.248,1060 7.93,1061 12.58,1062 -1.428,1063 15.415,1064 -3.378,1065 9.366,1066 12.28,1068 18.648,1069 9.193,1070 3.074,1071 -1.904,1072 17.207,1073 -4.474,1074 10.301,1075 13.561,1077 20.811,1078 10.105,1079 2.626,1080 9.928,1081 19.008,1082 -4.789,1083 11.479,1084 15.14,1086 23.137,1087 11.264,1088 2.137,1089 8.306,1090 20.818,1091 4.463,1092 12.507,1093 16.53,1095 25.367,1096 12.269,1097 1.698,1098 5.843,1099 22.634,1100 3.62,1101 13.644,1102 18.058,1104 27.667,1105 13.385,1106 1.519,1107 4.352,1108 24.454,1109 2.982,1110 14.717,1111 19.501,1113 29.927,1114 14.435,1115 1.038,1116 4.119,1117 26.279,1118 2.448,1119 15.838,1120 21.008,1122 32.219,1123 15.535,1124 1,1125 2.57,1126 28.107,1127 2.267,1128 16.934,1129 22.477,1131 34.494,1132 16.606,1133 2000,1134 3626,1135 12.425,1136 17.205,1137 27.398,1138 27.082,1139 27.414,1140 27.158,1141 27.122,1142 39.029,1144 76.863,1145 26.284,1146 5.166,1147 5.088,1148 6.185,1149 5.087,1150 5.074,1151 7.463,1153 16.547,1154 5.005,1155 4.649,1156 1.522,1157 1.505,1158 1.523,1159 1.509,1160 1.507,1161 2.168,1163 4.27,1164 1.46,1165 4.095,1166 4.107,1167 4.072,1168 3.964,1169 6.471,1170 3.986,1171 3.809,1172 3.847,1173 3.75,1174 3.715,1175 5.205,1176 3.719,1177 3.322,1178 3.34,1179 3.274,1180 3.093,1181 4.855,1182 3.136,1183 2.914,1184 2.963,1185 2.803,1186 2.763,1187 4.199,1188 2.764,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.947,1194 2.715,1195 2.696,1196 2.75,1197 2.621,1198 2.52,1199 3.674,1200 2.538,1201 2.324,1202 2.375,1203 2.155,1204 1.92,1205 3.66,1206 1.958,1207 2.004,1208 2.106,1209 1.833,1210 1.594,1211 3.176,1212 1.655,1213 0.251,1214 0.172,1215 0.355,1216 0.225,1217 0.171,1218 4.526,1219 0.248,1220 3.088,1222 6.383,1223 0.552,1224 4.052,1225 0.167,1226 3.074,1227 4.463,1229 9.928,1230 3.005,1231 1.883,1232 1.869,1233 1.963,1234 1.99,1235 1.055,1236 1.98,1237 1.837,1238 1.806,1239 1.938,1240 1.967,1241 0.974,1242 1.96,1243 1.161,1244 1.134,1245 1.265,1246 1.448,1247 0.246,1248 1.382,1249 0.897,1250 0.884,1251 1.181,1252 1.165,1253 0.218,1254 1.113,1255 0.886,1256 0.821,1257 1.024,1258 1.062,1259 0.041,1260 1.107,1261 0.763,1262 0.708,1263 0.988,1264 0.976,1266 0.993,1267 0.333,1268 0.264,1269 0.627,1270 0.686,1272 0.673,1275 0.534,1276 0.522,1278 0.534,1279 3.611,1281 4.92,1282 2.398,1283 6.428,1284 4.727,1285 8.023,1286 6.843,1287 9.661,1294 9.318,1305 17.053,1306 39.02,1307 74.778,1308 92.429,1309 102.039,1310 102.039,1311 102.039,1312 16.722,1313 6.324,1314 59.15,1315 59.15,1316 17,1317 12.003,1318 4.087,1319 3.17,1320 21.82,1321 40,1322 34,1323 0.285,1324 104.788,1325 167.48,1326 247.442,1327 3831,1329 10.958,1330 0.685,1331 0.518,1332 10.958,1333 8.291,1334 7.826,1335 0.435,1336 0.268,1337 4.752,1338 7.503,1339 4.681,1340 3.871,1341 7.826,1342 4.828,1343 7.068,1344 0.283,1345 0.136,1346 7.068,1347 3.407,1348 5.93,1349 0.18,1350 0.07,1351 5.93,1352 2.298,1353 5.025,1354 0.114,1355 0.035,1356 5.025,1357 1.534,1358 4.122,1359 0.075,1360 0.018,1361 4.122,1362 0.998,1363 0.427,1364 49.261,1365 0.284,1366 16.005,1367 0.833,1368 86,1369 281.175,1370 95.863,1371 271.098,1372 374.87,1373 254,1374 101,1375 284.233,1376 111.031,1377 285.254,1378 417.09,1379 269,1380 4.081}
{0 CHEMBL1645098,1 1.555,2 6.938,3 0.907,4 0.822,5 60.413,6 8.843,7 0.889,8 3.36,9 3.495,10 3.079,11 2.857,12 4.633,13 2.898,14 3.781,15 3.946,16 3.425,17 3.194,18 5.091,19 3.222,20 3.874,21 4.076,22 3.304,23 3.211,24 5.057,25 3.204,26 3.765,27 3.969,28 3.075,29 3.094,30 4.904,31 3.051,32 3.663,33 3.889,34 2.913,35 2.909,36 4.797,37 2.864,38 3.548,39 3.802,40 2.706,41 2.69,42 4.595,43 2.644,44 3.231,45 3.499,46 2.437,47 2.308,48 4.386,49 2.294,50 2.763,51 2.997,52 1.911,53 1.872,54 4.031,55 1.829,56 0.083,57 0.45,58 3.399,59 1.483,60 6.622,61 1.701,62 0.201,63 0.659,64 5.941,65 2.432,66 13.585,67 2.929,68 0.207,69 0.66,70 7.893,71 2.711,72 15.582,73 3.394,74 0.159,75 0.569,76 7.043,77 2.714,78 12.849,79 3.45,80 0.156,81 0.489,82 7.061,83 2.432,84 14.285,85 3.249,86 0.146,87 0.408,88 7.115,89 2.095,90 12.38,91 2.959,92 0.159,93 0.292,94 5.316,95 1.239,96 11.198,97 1.736,98 0.082,99 0.181,100 2.679,101 0.743,102 8.571,103 0.964,104 2,105 25,106 0.306,107 0.664,108 0.797,109 0.819,110 0.819,111 0.819,112 2.854,113 0.787,114 -2.74,115 -2.76,116 -2.68,119 41.7,142 3,143 1,145 2,146 1,150 1,151 1,162 1,163 1,164 1,165 1,166 1,172 2,174 4,175 5,177 2,178 2,183 2,186 1,187 4,189 1,190 1,195 2,199 3,201 1,202 1,211 1,212 6,217 1,222 1,224 2,229 1,234 1,236 2,242 2,247 2,249 1,265 1,266 1,275 230,276 11.016,277 11.016,278 11.016,279 11.016,280 11.016,281 9.166,282 3.162,283 6.594,284 11.347,285 8.926,286 8.926,287 8.926,288 8.926,289 8.926,290 6.203,291 2.5,292 3.177,293 9.463,294 3.03,295 1.209,296 0.531,297 0.417,298 0.417,299 0.417,300 3.533,304 1,305 1,306 245,307 1.581,310 30.908,311 77.993,314 54.107,318 1.078,319 11.498,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 35,331 111,332 4.505,333 3.055,334 6.325,335 3.982,336 3.045,337 4.447,339 9.719,340 2.872,341 4.106,342 2.73,343 6.031,344 3.682,345 2.717,346 3.706,348 8.704,349 2.6,350 3.435,351 2.08,352 4.821,353 2.928,354 2,355 2.846,357 5.393,358 1.857,359 3.173,360 1.757,361 4.513,362 2.663,363 1.732,364 2.454,366 4.567,367 1.607,368 3.009,369 1.519,370 4.339,371 2.447,372 1.516,373 2.255,375 4.141,376 1.408,377 2.632,378 1.147,379 3.507,380 2.093,381 1.143,382 1.695,384 2.686,385 1.083,386 2.5,387 1,388 3.247,389 1.984,390 1,391 1.5,393 2.136,394 0.983,395 1.902,396 0.41,397 3.154,398 1.363,399 0.41,400 0.61,402 1.074,403 0.389,404 0.954,405 -0.347,406 2.539,407 0.499,408 -0.439,409 -0.577,411 -1.122,412 -0.41,413 0.709,414 -0.596,415 2.178,416 0.266,417 -0.677,418 -0.87,420 -1.614,421 -0.636,422 0.5,423 -0.945,424 2,425 -0.049,426 -1,427 -1.408,428 -2.347,429 -0.914,430 0.5,431 -1,432 1.684,433 -0.05,434 -1,435 -1.5,436 -2.498,437 -0.946,438 0.355,439 -1,440 1.555,441 -0.085,442 -1,443 -1.5,445 -2.932,446 -0.951,447 -0.324,448 -1.709,449 1.124,450 -0.766,451 -1.732,452 -2.271,454 -4.789,455 -1.602,456 -0.332,457 -1.74,458 1.064,459 -0.826,460 -1.752,461 -2.534,463 -5.173,464 -1.661,465 7.4,466 0.463,467 0.346,468 0.022,469 26,470 1.625,471 14.5,472 0.906,473 11.5,474 0.719,475 7.162,476 0.448,477 16,478 0.667,479 14.836,480 0.927,481 5.214,482 0.326,483 2.613,484 0.163,485 0.054,487 0.324,493 0.964,494 1.34,495 0.65,496 0.968,497 1.156,498 0.784,499 0.649,500 0.913,501 0.716,502 0.908,503 0.534,504 0.843,505 1.082,506 0.957,507 0.984,508 0.9,509 0.968,510 0.915,511 0.969,512 1.043,513 1.131,514 1.17,515 0.823,516 1.184,517 0.974,518 1.077,519 1.083,520 1.149,521 1.065,522 1.143,523 1.124,524 1.165,525 1.048,526 1.087,527 0.942,528 1.058,529 1.317,530 0.758,531 1.12,532 0.719,533 1.095,534 0.842,535 1.385,536 1.202,537 1.546,538 1.391,539 2.09,540 1.482,541 3,543 1.556,544 1.042,545 0.479,546 0.386,547 0.212,548 0.109,549 0.037,550 0.016,551 2077,552 6438,553 2.174,554 33.3,556 3,557 1,558 2,559 2,564 1.549,565 2.087,566 2.845,567 0.573,571 1,573 37.31,574 1.555,575 3.376,576 4.054,577 4.168,578 4.168,579 4.168,580 2.281,581 3.5,582 3.974,583 2.889,584 346.721,585 6.683,586 2907.23,588 1,591 110.039,592 1.198,593 3.954,594 0.167,596 0.062,597 0.047,598 0.028,599 0.028,600 0.019,601 0.014,602 0.009,603 0.016,604 0.39,605 0.67,606 1,607 0.5,608 63.653,609 -0.1,610 -0.211,611 0.038,612 -0.061,613 -0.314,614 0.004,615 0.315,616 0.19,617 0.055,618 -0.012,619 0.25,620 -0.033,621 -0.15,622 0.048,623 -0.096,624 0.047,625 -0.126,627 -0.138,628 -0.077,629 -0.23,630 -0.174,631 -0.033,632 -0.213,633 -0.081,634 -0.161,635 -0.097,636 -0.155,637 -0.121,638 -0.135,639 -0.16,640 -0.312,641 0.043,642 -0.094,643 -0.022,644 -0.002,645 -0.106,646 0.137,647 0.003,648 0.175,649 0.053,650 0.126,651 -0.235,652 -0.27,653 -0.536,654 -0.53,655 -0.442,656 -0.588,657 1.445,658 1.486,659 0.938,660 8.594,661 1.021,662 1.142,663 1.515,664 2.294,665 0.7,666 2.944,667 3.258,668 3.526,669 3.807,670 3.989,671 3.97,672 4.127,673 4.19,674 4.007,675 3.892,676 4.146,677 0.694,678 212.24,679 2.944,680 4.466,681 5.313,682 6.188,683 7.054,684 7.933,685 8.806,686 9.687,687 10.564,688 11.446,689 25,693 1,697 1,699 4,703 1,704 6,705 4,709 3,711 16,722 1,731 24,733 16,735 18,737 26,738 10,739 10,746 3,747 4,761 10,778 1,781 8,782 5,783 2,784 6,790 6,794 0.667,805 1,806 1,811 1,812 2,815 1,840 2,848 16,849 1,867 1,877 7.667,878 4.333,879 3.472,880 1.269,881 3.114,882 1.494,883 1.047,884 1.963,885 9.42,886 3.296,887 3.966,888 4.616,889 5.273,890 5.815,891 6.11,892 6.626,893 7.061,894 7.183,895 7.464,896 0.8,897 22,898 5.808,900 2.448,901 7.792,902 10.858,904 8.639,905 2.292,906 36.667,907 0.002,910 70.627,911 64.699,912 101.081,917 64.699,918 70.627,919 101.081,922 70.373,923 90.562,924 26.488,925 13.67,926 35.313,928 70.627,929 165.78,933 70.627,937 25.201,938 73.559,939 67.02,941 70.627,942 101.081,943 64.699,946 70.627,947 9.128,948 56.735,950 99.917,951 70.627,952 101.081,953 64.699,955 0.578,956 0.334,957 0.189,958 0.102,959 14,960 5,961 0.038,962 1,963 1,964 1.133,965 2.933,966 111.683,967 0.133,968 15,969 58,974 9.098,975 3.453,976 1.599,977 0.492,978 99.917,979 10.855,980 16.263,984 2.028,986 32.897,987 236.406,988 26,999 24.494,1000 27.405,1001 0.339,1002 0.736,1003 0.884,1004 0.909,1005 0.909,1006 0.909,1007 4.489,1008 0.41,1009 5.283,1010 2.136,1011 3.932,1012 4.649,1014 6.071,1015 3.82,1016 5.714,1017 -0.439,1018 6.819,1019 1.074,1020 3.434,1021 4.407,1023 6.88,1024 3.258,1025 7.022,1026 -0.677,1027 8.454,1028 -1.122,1029 5.493,1030 6.94,1032 9.983,1033 5.272,1034 8.371,1035 -1,1036 10.148,1037 -1.614,1038 5.832,1039 7.567,1041 11.643,1042 5.549,1043 9.751,1044 -1,1045 11.88,1046 -2.347,1047 7.347,1048 9.523,1050 14.219,1051 7.02,1052 11.156,1053 -1,1054 13.638,1055 -2.498,1056 8.086,1057 10.583,1059 16.223,1060 7.698,1061 12.58,1062 -1.732,1063 15.414,1064 -2.932,1065 9.362,1066 12.278,1068 18.602,1069 8.926,1070 3.045,1071 -1.752,1072 17.204,1073 -4.789,1074 10.293,1075 13.555,1077 20.75,1078 9.795,1079 2.717,1080 9.719,1081 19.004,1082 -5.173,1083 11.464,1084 15.131,1086 23.053,1087 10.915,1088 2,1089 8.704,1090 20.811,1091 4.447,1092 12.484,1093 16.516,1095 25.262,1096 11.874,1097 1.732,1098 5.393,1099 22.624,1100 3.706,1101 13.611,1102 18.039,1104 27.536,1105 12.947,1106 1.516,1107 4.567,1108 24.441,1109 2.846,1110 14.673,1111 19.476,1113 29.771,1114 13.948,1115 1.143,1116 4.141,1117 26.261,1118 2.454,1119 15.783,1120 20.977,1122 32.035,1123 15.001,1124 1,1125 2.686,1126 28.084,1127 2.255,1128 16.866,1129 22.44,1131 34.284,1132 16.023,1133 2005,1134 3635,1135 12.425,1136 16.796,1137 27.409,1138 27.041,1139 27.43,1140 27.17,1141 27.125,1142 39.026,1144 76.839,1145 25.597,1146 5.127,1147 5.055,1148 6.127,1149 5.055,1150 5.045,1151 7.447,1153 16.159,1154 4.808,1155 4.649,1156 1.523,1157 1.502,1158 1.524,1159 1.509,1160 1.507,1161 2.168,1163 4.269,1164 1.422,1165 4.088,1166 4.152,1167 4.069,1168 3.901,1169 5.329,1170 3.929,1171 3.817,1172 3.867,1173 3.767,1174 3.649,1175 4.936,1176 3.679,1177 3.327,1178 3.402,1179 3.257,1180 3.128,1181 4.793,1182 3.154,1183 2.854,1184 2.952,1185 2.778,1186 2.735,1187 4.21,1188 2.715,1189 2.853,1190 2.925,1191 2.687,1192 2.61,1193 3.993,1194 2.639,1195 2.767,1196 2.871,1197 2.625,1198 2.451,1199 3.674,1200 2.484,1201 2.433,1202 2.532,1203 2.321,1204 2.132,1205 3.614,1206 2.167,1207 1.94,1208 2.066,1209 1.727,1210 1.59,1211 3.212,1212 1.601,1213 0.25,1214 0.17,1215 0.351,1216 0.221,1217 0.169,1218 4.505,1219 0.247,1220 3.055,1222 6.325,1223 0.54,1224 3.982,1225 0.16,1226 3.045,1227 4.447,1229 9.719,1230 2.872,1231 1.92,1232 1.883,1233 2.001,1234 2.078,1235 1.062,1236 2.052,1237 1.666,1238 1.611,1239 1.77,1240 1.869,1241 0.777,1242 1.847,1243 1.3,1244 1.214,1245 1.434,1246 1.642,1247 0.218,1248 1.591,1249 0.886,1250 0.824,1251 1.181,1252 1.114,1253 0.114,1254 1.107,1255 0.886,1256 0.821,1257 1.001,1258 1.062,1259 0.058,1260 1.089,1261 0.69,1262 0.604,1263 0.933,1264 1.004,1266 0.992,1267 0.377,1268 0.25,1269 0.708,1270 0.755,1272 0.755,1273 0.122,1275 0.483,1276 0.479,1278 0.488,1279 3.611,1281 4.92,1282 2.398,1283 6.428,1284 4.727,1285 8.023,1286 6.804,1287 9.662,1293 5.486,1305 16.655,1306 37.31,1307 81.02,1308 97.284,1309 100.039,1310 100.039,1311 100.039,1312 12.84,1313 6.306,1314 81.99,1315 81.99,1316 17,1317 11.981,1318 4.087,1319 3.17,1320 21.835,1321 40,1322 34,1323 0.283,1324 104.788,1325 159.3,1326 247.442,1327 3751,1329 10.958,1330 0.685,1331 0.517,1332 10.958,1333 8.278,1334 7.826,1335 0.435,1336 0.262,1337 4.627,1338 7.433,1339 4.568,1340 3.796,1341 7.826,1342 4.721,1343 7.068,1344 0.283,1345 0.131,1346 7.068,1347 3.263,1348 5.907,1349 0.179,1350 0.067,1351 5.907,1352 2.2,1353 5.126,1354 0.116,1355 0.034,1356 5.126,1357 1.477,1358 4.082,1359 0.077,1360 0.017,1361 4.082,1362 0.917,1363 0.425,1364 49.547,1365 0.284,1366 16.007,1367 0.824,1368 86,1369 271.538,1370 97.323,1371 268.728,1372 378.22,1373 252,1374 101,1375 297.11,1376 112.712,1377 298.504,1378 435.21,1379 281,1380 4.079}
{0 CHEMBL1645099,1 1.592,2 6.938,3 1.384,4 1.914,5 59.88,6 8.45,7 0.889,8 3.375,9 3.479,10 3.058,11 2.954,12 4.614,13 2.969,14 3.804,15 3.926,16 3.404,17 3.295,18 5.034,19 3.301,20 3.947,21 4.115,22 3.319,23 3.29,24 5.109,25 3.27,26 3.909,27 4.113,28 3.106,29 3.102,30 5.012,31 3.068,32 3.623,33 3.828,34 2.898,35 2.905,36 4.776,37 2.863,38 3.371,39 3.524,40 2.638,41 2.829,42 4.419,43 2.747,44 3.341,45 3.564,46 2.402,47 2.651,48 4.361,49 2.528,50 3.209,51 3.503,52 1.938,53 2.211,54 4.21,55 2.064,56 0.043,57 0.382,58 3.885,59 1.92,60 6.482,61 2.114,62 0.108,63 0.573,64 6.569,65 3.094,66 9.527,67 3.548,68 0.13,69 0.639,70 8.953,71 3.662,72 15.566,73 4.263,74 0.217,75 0.585,76 10.308,77 3.667,78 21.423,79 4.288,80 0.246,81 0.45,82 7.597,83 2.627,84 19.424,85 3.229,86 0.062,87 0.347,88 4.648,89 2.347,90 5.616,91 2.799,92 0.039,93 0.338,94 5.374,95 2.397,96 6.435,97 3.302,98 0.085,99 0.297,100 5.835,101 1.818,102 12.019,103 2.619,104 2,105 25,106 0.31,107 0.615,108 0.752,109 0.827,110 0.827,111 0.827,112 2.854,113 0.815,114 -2.44,115 -2.47,116 -2.42,119 48,142 5,143 1,144 1,145 2,146 1,152 1,161 1,163 1,164 1,165 1,172 3,174 1,175 6,180 2,183 2,185 2,187 8,192 1,195 1,197 1,199 1,201 1,202 1,207 2,211 2,214 1,215 1,220 5,229 1,232 2,234 1,237 2,242 2,247 2,250 1,265 1,266 1,275 230,276 11.016,277 11.016,278 11.016,279 11.016,280 11.016,281 9.166,282 3.162,283 6.601,284 11.162,285 8.926,286 8.926,287 8.926,288 8.926,289 8.926,290 6.203,291 2.5,292 3.191,293 9.159,294 3.052,295 1.49,296 0.784,297 0.4,298 0.4,299 0.4,300 3.533,304 1,305 1,306 244,307 1.581,310 27.552,311 80.302,314 53.925,318 1.078,319 12.227,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 34.5,331 111,332 4.526,333 3.078,334 6.383,335 4.053,336 3.074,337 4.463,339 9.928,340 3.008,341 4.028,342 2.645,343 5.92,344 3.616,345 2.626,346 3.62,348 8.306,349 2.598,350 3.551,351 2.222,352 4.965,353 3.112,354 2.137,355 2.982,357 5.843,358 2.082,359 3.157,360 1.706,361 4.419,362 2.649,363 1.698,364 2.448,366 4.352,367 1.612,368 3.015,369 1.52,370 4.352,371 2.496,372 1.519,373 2.267,375 4.119,376 1.481,377 2.533,378 1.042,379 3.485,380 1.992,381 1.038,382 1.55,384 2.57,385 0.988,386 2.5,387 1,388 3.247,389 1.984,390 1,391 1.5,393 2.136,394 0.983,395 1.945,396 0.495,397 3.159,398 1.441,399 0.469,400 0.685,402 1.178,403 0.455,404 0.971,405 -0.276,406 2.461,407 0.56,408 -0.397,409 -0.514,411 -1.009,412 -0.379,413 0.746,414 -0.638,415 2.325,416 0.319,417 -0.66,418 -0.885,420 -1.542,421 -0.645,422 0.58,423 -0.906,424 2,425 0.071,426 -0.911,427 -1.355,428 -2.347,429 -0.893,430 0.5,431 -1,432 1.555,433 -0.049,434 -1,435 -1.5,436 -2.636,437 -0.946,438 0.051,439 -1.229,440 1.537,441 -0.355,442 -1.32,443 -1.791,445 -3.378,446 -1.272,447 -0.039,448 -1.42,449 1.265,450 -0.448,451 -1.428,452 -1.991,454 -4.474,455 -1.398,456 -0.422,457 -1.897,458 1.034,459 -0.924,460 -1.904,461 -2.64,463 -4.789,464 -1.809,465 7.533,466 0.471,467 0.346,468 0.022,469 25.25,470 1.578,471 14.5,472 0.906,473 10.75,474 0.672,475 7.523,476 0.47,477 15.867,478 0.635,479 14.462,480 0.904,481 5.114,482 0.32,483 2.712,484 0.17,485 0.053,487 0.332,493 0.971,494 1.088,495 0.687,496 0.88,497 1.152,498 0.751,499 0.908,500 1.141,501 0.754,502 1.02,503 0.721,504 0.89,505 1.224,506 1.146,507 1.022,508 1.109,509 1.103,510 1.041,511 1.554,512 0.93,513 1.103,514 0.938,515 1.174,516 0.953,517 1.051,518 0.529,519 1.027,520 0.655,521 0.881,522 0.804,523 0.862,524 1.144,525 1.219,526 1.279,527 0.841,528 1.333,529 0.318,530 1.306,531 1.046,532 1.386,533 0.615,534 1.362,535 0.773,536 1.181,537 1.189,538 1.119,539 1.364,540 1.183,541 3,543 1.556,544 0.917,545 0.729,546 0.365,547 0.127,548 0.106,549 0.037,550 0.016,551 2065,552 5902,553 2.174,554 36,556 5,558 2,559 2,564 1.55,565 2.087,566 2.848,567 0.451,571 1,573 39.793,574 1.592,575 3.153,576 3.859,577 4.244,578 4.244,579 4.244,580 2.281,581 3.328,582 3.973,583 2.889,584 346.721,585 6.683,586 2907.23,588 1,591 116.096,592 1.198,593 3.954,594 0.167,596 0.062,597 0.042,598 0.043,599 0.026,600 0.012,601 0.013,602 0.009,603 0.016,604 0.389,605 0.67,606 1,607 0.5,608 63.64,609 -0.129,610 -0.037,611 0.028,612 0.018,613 -0.286,614 0.053,615 0.06,616 -0.129,617 0.03,618 -0.106,619 0.065,620 -0.053,621 -0.168,622 -0.171,623 -0.12,624 -0.176,625 -0.14,626 -0.14,627 -0.201,628 -0.001,629 -0.059,630 0.028,631 -0.093,632 0.009,633 0.173,634 0.464,635 -0.017,636 0.296,637 0.154,638 0.14,639 -0.153,640 -0.244,641 -0.389,642 -0.287,643 -0.197,644 -0.378,645 0.109,646 -0.431,647 -0.081,648 -0.369,649 0.128,650 -0.291,651 -0.055,652 -0.238,653 -0.025,654 -0.146,655 -0.108,656 -0.087,657 1.081,658 2.115,659 0.938,660 8.844,661 1.011,662 1.118,663 1.211,664 1.466,665 0.71,666 2.944,667 3.258,668 3.526,669 3.807,670 4.025,671 4.043,672 4.127,673 4.19,674 4.043,675 3.892,676 4.146,677 0.694,678 211.24,679 2.944,680 4.466,681 5.313,682 6.188,683 7.057,684 7.939,685 8.817,686 9.702,687 10.584,688 11.471,689 12,693 1,699 2,703 2,704 7,705 2,707 1,709 3,711 16,722 1,731 25,733 16,734 1,735 18,737 27,738 12,739 12,740 3,741 3,746 3,747 4,761 12,778 1,781 9,782 4,783 2,784 4,790 3,794 0.667,795 1,799 1,805 1,811 1,812 2,815 1,840 2,848 16,849 1,870 4,875 1,877 7.667,878 4.483,879 3.472,880 1.358,881 3.129,882 1.495,883 1.052,884 2.031,885 9.453,886 3.296,887 3.966,888 4.616,889 5.273,890 5.844,891 6.175,892 6.626,893 7.061,894 7.221,895 7.464,896 0.8,897 22,898 5.837,900 2.477,901 7.74,902 11.012,904 8.913,905 2.24,906 35.833,907 0.002,910 82.398,911 83.419,912 66.468,914 9.507,917 83.419,918 91.905,919 66.468,922 80.278,923 62.133,924 35.689,925 4.836,926 58.856,928 82.398,929 149.887,930 9.507,933 82.398,934 9.507,937 25.259,938 91.057,939 33.571,941 82.398,942 75.976,943 83.419,946 82.398,947 17.943,948 65.476,950 75.976,951 82.398,952 75.976,953 83.419,955 0.578,956 0.332,957 0.185,958 0.105,959 14,960 5,961 0.037,962 1,963 1,964 1.133,965 2.933,966 111.782,967 0.133,968 15,969 58,974 9.218,975 3.524,976 1.64,977 1.507,978 75.976,979 12.537,980 8.319,982 5.615,984 2.176,986 32.897,987 241.792,988 26,999 25.284,1000 27.95,1001 0.343,1002 0.679,1003 0.831,1004 0.914,1005 0.914,1006 0.914,1007 4.489,1008 0.469,1009 5.283,1010 2.136,1011 3.932,1012 4.649,1014 6.071,1015 3.884,1016 5.714,1017 -0.397,1018 6.819,1019 1.178,1020 3.434,1021 4.407,1023 6.88,1024 3.374,1025 7.022,1026 -0.66,1027 8.454,1028 -1.009,1029 5.493,1030 6.94,1032 9.986,1033 5.409,1034 8.371,1035 -0.911,1036 10.148,1037 -1.542,1038 5.832,1039 7.567,1041 11.648,1042 5.734,1043 9.751,1044 -1,1045 11.88,1046 -2.347,1047 7.347,1048 9.523,1050 14.236,1051 7.228,1052 11.156,1053 -1.32,1054 13.638,1055 -2.636,1056 8.086,1057 10.583,1059 16.248,1060 7.95,1061 12.58,1062 -1.428,1063 15.415,1064 -3.378,1065 9.366,1066 12.28,1068 18.648,1069 9.209,1070 3.074,1071 -1.904,1072 17.207,1073 -4.474,1074 10.301,1075 13.561,1077 20.811,1078 10.123,1079 2.626,1080 9.928,1081 19.008,1082 -4.789,1083 11.479,1084 15.14,1086 23.137,1087 11.281,1088 2.137,1089 8.306,1090 20.818,1091 4.463,1092 12.507,1093 16.53,1095 25.367,1096 12.287,1097 1.698,1098 5.843,1099 22.634,1100 3.62,1101 13.644,1102 18.058,1104 27.667,1105 13.402,1106 1.519,1107 4.352,1108 24.454,1109 2.982,1110 14.717,1111 19.501,1113 29.927,1114 14.453,1115 1.038,1116 4.119,1117 26.279,1118 2.448,1119 15.838,1120 21.008,1122 32.219,1123 15.552,1124 1,1125 2.57,1126 28.107,1127 2.267,1128 16.934,1129 22.477,1131 34.494,1132 16.624,1133 2000,1134 3470,1135 12.425,1136 17.756,1137 27.398,1138 27.06,1139 27.414,1140 27.13,1141 27.122,1142 39.029,1144 76.863,1145 26.413,1146 5.166,1147 5.078,1148 6.185,1149 5.088,1150 5.074,1151 7.463,1153 16.547,1154 5.008,1155 4.649,1156 1.522,1157 1.503,1158 1.523,1159 1.507,1160 1.507,1161 2.168,1163 4.27,1164 1.467,1165 4.098,1166 4.113,1167 4.073,1168 3.968,1169 5.259,1170 3.99,1171 3.811,1172 3.852,1173 3.752,1174 3.718,1175 5.016,1176 3.721,1177 3.355,1178 3.406,1179 3.294,1180 3.122,1181 4.843,1182 3.162,1183 2.944,1184 3.025,1185 2.82,1186 2.783,1187 4.117,1188 2.782,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.939,1194 2.715,1195 2.735,1196 2.812,1197 2.638,1198 2.544,1199 3.674,1200 2.56,1201 2.482,1202 2.585,1203 2.27,1204 2.081,1205 3.655,1206 2.109,1207 2.037,1208 2.138,1209 1.871,1210 1.808,1211 3.167,1212 1.81,1213 0.251,1214 0.171,1215 0.355,1216 0.225,1217 0.171,1218 4.526,1219 0.248,1220 3.078,1222 6.383,1223 0.552,1224 4.053,1225 0.167,1226 3.074,1227 4.463,1229 9.928,1230 3.008,1231 1.896,1232 1.875,1233 1.981,1234 2.003,1235 1.068,1236 1.997,1237 1.837,1238 1.806,1239 1.938,1240 1.967,1241 0.974,1242 1.96,1243 1.164,1244 1.137,1245 1.288,1246 1.458,1247 0.248,1248 1.395,1249 1.003,1250 0.94,1251 1.205,1252 1.312,1253 0.218,1254 1.29,1255 0.886,1256 0.821,1257 1.181,1258 1.062,1259 0.096,1260 1.107,1261 0.78,1262 0.721,1263 1.005,1264 0.992,1266 1.007,1267 0.399,1268 0.302,1269 0.769,1270 0.754,1272 0.762,1273 0.27,1274 0.142,1275 0.601,1276 0.598,1278 0.614,1279 3.611,1281 4.92,1282 2.398,1283 6.428,1284 4.727,1285 8.023,1286 6.843,1287 9.661,1293 5.68,1305 17.359,1306 39.793,1307 78.835,1308 96.487,1309 106.096,1310 106.096,1311 106.096,1312 15.003,1313 6.324,1314 64.94,1315 64.94,1316 17,1317 12.003,1318 4.087,1319 3.17,1320 21.82,1321 40,1322 34,1323 0.285,1324 107.586,1325 169.69,1326 254.269,1327 3831,1329 10.958,1330 0.685,1331 0.526,1332 10.958,1333 8.421,1334 7.826,1335 0.435,1336 0.272,1337 4.823,1338 7.537,1339 4.739,1340 3.935,1341 7.826,1342 4.893,1343 7.068,1344 0.283,1345 0.139,1346 7.068,1347 3.482,1348 5.93,1349 0.18,1350 0.071,1351 5.93,1352 2.339,1353 5.025,1354 0.114,1355 0.036,1356 5.025,1357 1.562,1358 4.122,1359 0.075,1360 0.019,1361 4.122,1362 1.022,1363 0.427,1364 48.972,1365 0.284,1366 16.005,1367 0.833,1368 86,1369 258.338,1370 94.786,1371 253.353,1372 355.27,1373 238,1374 101,1375 274.047,1376 110.203,1377 276.99,1378 404.71,1379 261,1380 4.079}
{0 CHEMBL1645100,1 1.644,2 7.059,3 0.632,4 0.4,5 63.789,6 7.709,7 0.316,8 3.541,9 3.656,10 3.147,11 3.023,12 4.63,13 3.035,14 4.097,15 4.266,16 3.481,17 3.408,18 5.179,19 3.402,20 4.307,21 4.512,22 3.496,23 3.544,24 5.351,25 3.497,26 4.238,27 4.452,28 3.297,29 3.461,30 5.317,31 3.362,32 4.187,33 4.454,34 3.033,35 3.28,36 5.059,37 3.15,38 3.954,39 4.225,40 2.843,41 2.996,42 4.819,43 2.888,44 3.616,45 3.833,46 2.688,47 2.729,48 4.641,49 2.669,50 3.492,51 3.709,52 2.355,53 2.385,54 4.654,55 2.338,56 0.047,57 0.467,58 5.9,59 2.488,60 4.799,61 3.244,62 0.281,63 0.736,64 12.226,65 4.039,66 18.839,67 5.368,68 0.338,69 0.851,70 16.114,71 5.259,72 24.537,73 7.257,74 0.24,75 0.78,76 14.781,77 5.604,78 30.321,79 7.791,80 0.217,81 0.68,82 15.531,83 5.243,84 26.188,85 7.736,86 0.268,87 0.528,88 12.573,89 3.794,90 19.185,91 5.644,92 0.175,93 0.387,94 8.193,95 2.519,96 14.438,97 3.559,98 0.181,99 0.294,100 7.717,101 2.007,102 24.469,103 2.682,104 2,105 26,106 0.316,107 0.681,108 0.784,109 0.814,110 0.814,111 0.814,112 2.909,113 0.891,114 -2.22,115 -2.26,116 -2.23,119 40,125 4,142 3,143 1,144 2,158 2,172 2,175 5,178 2,180 1,183 3,186 1,187 3,192 1,195 1,198 2,199 4,204 2,212 2,223 1,224 1,227 1,236 1,237 1,262 1,266 1,275 259,276 11.776,277 11.776,278 11.776,279 11.776,280 11.776,281 10.802,282 19.443,283 7.065,284 12.151,285 9.393,286 9.393,287 9.393,288 9.393,289 9.393,290 7.808,291 29.07,292 3.354,293 9.936,294 3.263,295 1.358,296 0.825,297 0.667,298 0.667,299 0.667,300 3.592,304 1,305 1,306 263,307 1.581,311 118.656,315 62.228,318 1.128,319 15.703,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 37.5,331 120,332 4.421,333 3.609,334 6.49,335 4.052,336 3.069,337 4.065,338 1.11,339 10.116,340 3.018,341 3.932,342 3.128,343 6.101,344 3.684,345 2.737,346 3.226,347 0.86,348 8.887,349 2.586,350 3.326,351 2.666,352 5.043,353 2.986,354 2.011,355 2.481,356 0.8,357 5.738,358 1.947,359 3.085,360 2.288,361 4.416,362 2.691,363 1.754,364 2.179,365 0.779,366 4.379,367 1.637,368 2.847,369 1.971,370 4.103,371 2.451,372 1.52,373 1.877,375 3.655,376 1.411,377 2.516,378 1.468,379 3.505,380 2.031,381 1.13,382 1.417,384 2.664,385 1.01,386 2.217,387 1.339,388 3.348,389 1.952,390 1,391 1.174,393 2.136,394 0.946,395 2,396 1.256,397 3.247,398 1.865,399 0.891,400 1,402 2.083,403 0.86,404 1.237,405 0.647,406 2.578,407 0.801,408 -0.212,409 -0.279,411 -0.491,412 -0.21,413 0.971,414 -0.112,415 2.372,416 0.599,417 -0.351,418 -0.421,420 -0.882,421 -0.332,422 0.652,423 -0.36,424 2.263,425 0.173,426 -0.785,427 -0.92,428 -1.855,429 -0.746,430 0.256,431 -0.464,432 1.931,433 0.068,434 -0.926,435 -1,436 -2.347,437 -0.846,439 -0.667,440 1.555,441 -0.149,442 -1,443 -1.31,445 -2.484,446 -0.92,447 -0.084,448 -0.977,449 1.389,450 -0.39,451 -1.384,452 -1.72,454 -3.574,455 -1.353,456 -0.301,457 -1.313,458 1.243,459 -0.582,460 -1.553,461 -1.911,462 -0.4,463 -4.641,464 -1.522,465 7.867,466 0.463,467 0.329,468 0.019,469 22,470 1.294,471 10,472 0.588,473 12,474 0.706,475 10.761,476 0.633,477 18.533,478 0.618,479 13.453,480 0.791,481 4.463,482 0.263,483 3.88,484 0.228,485 0.042,487 0.305,493 0.808,494 1.524,495 0.724,496 1.19,497 0.552,498 0.973,499 1.147,500 1.02,501 0.958,502 0.876,503 0.664,504 0.872,505 1.068,506 0.954,507 1.003,508 0.89,509 0.865,510 0.921,511 0.65,512 1.128,513 1.032,514 1.26,515 0.907,516 1.24,517 0.652,518 1.03,519 0.888,520 1.072,521 0.752,522 1.039,523 0.763,524 0.79,525 0.909,526 0.883,527 0.532,528 0.917,529 1.047,530 1.056,531 1.101,532 1.144,533 0.999,534 1.127,535 1.91,536 1.159,537 1.41,538 1.23,539 2.711,540 1.225,541 2.5,543 2,544 0.938,545 0.738,546 0.396,547 0.183,548 0.115,549 0.053,550 0.016,551 2415,552 6904,553 2.163,554 43.3,556 11,558 1,559 1,564 1.569,565 2.082,566 2.87,567 -0.198,569 1,571 1,573 49.327,574 1.644,575 3.548,576 4.082,577 4.24,578 4.24,579 4.24,580 2.307,581 3.41,582 4.062,583 2.941,584 399.971,585 6.864,586 3514.54,588 1,591 147.207,592 1.166,593 4.043,594 0.132,596 0.077,597 0.036,598 0.037,599 0.026,600 0.015,601 0.011,602 0.009,603 0.008,604 0.351,605 0.83,606 1,607 0.481,608 69.37,609 -0.066,610 -0.317,611 0.066,612 -0.136,613 -0.017,614 -0.027,615 -0.117,616 0.093,617 -0.055,618 0.093,619 -0.001,620 0.04,621 -0.13,622 0.068,623 -0.069,624 0.087,625 -0.019,626 0.034,627 0.067,628 -0.147,629 -0.126,630 -0.239,631 0.06,632 -0.232,633 0.032,634 -0.156,635 0.089,636 -0.074,637 -0.019,638 0.004,639 0.091,640 0.104,641 0.105,642 0.058,643 0.033,644 0.08,645 -0.014,646 -0.084,647 -0.128,648 -0.206,649 -0.071,650 -0.185,651 -0.362,652 -0.295,653 -0.339,654 -0.349,655 -0.436,656 -0.337,657 1.761,658 4.537,659 0.941,660 9.751,661 1.013,662 1.133,663 0.991,664 0.983,665 0.658,666 2.996,667 3.296,668 3.584,669 3.829,670 4.06,671 4.06,672 4.174,673 4.205,674 4.234,675 4.043,676 4.305,677 0.638,678 231.28,679 2.996,680 4.511,681 5.361,682 6.229,683 7.094,684 7.969,685 8.84,686 9.717,687 10.591,688 11.47,689 10,695 1,696 1,698 1,704 3,709 3,711 6,718 1,726 1,731 30,733 8,734 1,735 19,737 32,738 12,739 6,740 3,741 3,742 2,746 3,747 4,761 8,762 4,766 2,771 1,773 1,774 1,775 1,778 1,781 13,782 5,783 1,784 5,790 3,791 1,794 0.667,795 2,812 3,816 1,839 1,840 2,848 17,854 4,855 1,856 1,859 1,870 6.7,873 1,874 1,877 8.167,878 5.317,879 3.75,880 1.79,881 1.708,882 1.265,883 0.997,884 2.728,885 8.149,886 3.219,887 3.726,888 4.28,889 4.819,890 5.337,891 5.587,892 5.888,893 6.037,894 6.239,895 6.063,896 0.8,897 26,898 6.276,900 2.676,901 7.775,902 12.022,904 9.885,905 2.275,906 38.667,907 0.002,910 141.253,911 63.847,912 37.921,914 36.145,917 63.847,918 177.398,919 37.921,921 31.407,922 28.429,923 61.239,924 28.609,926 129.482,928 141.253,929 101.768,930 36.145,933 141.253,934 25.145,935 11,937 48.192,938 53.575,941 141.253,942 74.065,943 63.847,946 141.253,947 26.8,948 40.172,949 18.011,950 52.93,951 141.253,952 74.065,953 63.847,955 0.575,956 0.342,957 0.188,958 0.101,959 14,960 5,961 0.031,962 1,963 1,964 1.125,965 3.006,966 121.541,967 0.125,968 16,969 65.487,974 10.599,975 4.375,976 2.003,978 74.065,979 5.742,984 2.459,986 18.011,987 279.166,988 24,993 11.537,995 1.438,996 4.184,997 -0.094,999 30.378,1000 33.99,1001 0.335,1002 0.723,1003 0.832,1004 0.864,1005 0.864,1006 0.864,1007 4.449,1008 0.891,1009 5.323,1010 2.136,1011 3.97,1012 4.407,1013 1.963,1014 6.116,1015 3.879,1016 5.61,1017 -0.212,1018 6.866,1019 2.083,1020 3.434,1021 4.086,1022 0.325,1023 6.986,1024 3.355,1025 6.894,1026 -0.351,1027 8.515,1028 -0.491,1029 5.533,1030 6.487,1031 1.845,1032 10.095,1033 5.377,1034 8.214,1035 -0.785,1036 10.229,1037 -0.882,1038 5.861,1039 7.042,1040 0.268,1041 11.818,1042 5.727,1043 9.572,1044 -0.926,1045 11.984,1046 -1.855,1047 7.397,1048 8.9,1049 1.836,1050 14.413,1051 7.197,1052 10.956,1053 -1,1054 13.766,1055 -2.347,1056 8.137,1057 9.874,1058 0.188,1059 16.467,1060 7.952,1061 12.359,1062 -1.384,1063 15.568,1064 -2.484,1065 9.426,1066 11.493,1067 1.895,1068 18.878,1069 9.194,1070 3.069,1071 -1.553,1072 17.383,1073 -3.574,1074 10.361,1075 12.674,1076 0.125,1077 21.068,1078 10.134,1079 2.737,1080 10.116,1081 19.207,1082 -4.641,1083 11.543,1084 14.182,1085 2.002,1086 23.409,1087 11.282,1088 2.011,1089 8.887,1090 21.039,1091 4.065,1092 12.569,1093 15.468,1094 0.082,1095 25.658,1096 12.306,1097 1.754,1098 5.738,1099 22.876,1100 3.226,1101 13.706,1102 16.922,1103 2.141,1104 27.972,1105 13.419,1106 1.52,1107 4.379,1108 24.717,1109 2.481,1110 14.775,1111 18.262,1112 0.054,1113 30.248,1114 14.48,1115 1.13,1116 3.655,1117 26.561,1118 2.179,1119 15.893,1120 19.69,1121 2.301,1122 32.553,1123 15.581,1124 1,1125 2.664,1126 28.408,1127 1.877,1128 16.984,1129 21.058,1130 0.035,1131 34.843,1132 16.661,1133 2333,1134 4024,1135 13.118,1136 19.733,1137 28.478,1138 29.715,1139 28.72,1140 28.18,1141 28.225,1142 34.841,1143 7.099,1144 79.314,1145 26.828,1146 5.421,1147 5.609,1148 6.292,1149 5.155,1150 5.069,1151 7.065,1152 2.22,1153 16.902,1154 5.018,1155 4.742,1156 1.499,1157 1.564,1158 1.512,1159 1.483,1160 1.486,1161 1.834,1162 0.374,1163 4.174,1164 1.412,1165 4.006,1166 4.039,1167 3.965,1168 3.904,1169 7.429,1170 3.914,1171 3.73,1172 3.783,1173 3.627,1174 3.51,1175 4.863,1176 3.529,1177 3.394,1178 3.451,1179 3.308,1180 3.173,1181 4.622,1182 3.201,1183 3.111,1184 3.206,1185 2.985,1186 2.941,1187 4.392,1188 2.91,1189 3.044,1190 3.081,1191 2.866,1192 2.853,1193 3.789,1194 2.872,1195 2.798,1196 2.866,1197 2.682,1198 2.517,1199 3.626,1200 2.527,1201 2.666,1202 2.723,1203 2.524,1204 2.43,1205 3.474,1206 2.469,1207 2.41,1208 2.494,1209 2.243,1210 2.157,1211 3.242,1212 2.17,1213 0.233,1214 0.19,1215 0.342,1216 0.213,1217 0.162,1218 4.421,1219 0.214,1220 3.609,1221 0.058,1222 6.49,1223 0.532,1224 4.052,1225 0.159,1226 3.069,1227 4.065,1228 1.11,1229 10.116,1230 3.018,1231 1.948,1232 1.921,1233 2.036,1234 2.078,1235 1.242,1236 2.066,1237 1.658,1238 1.603,1239 1.861,1240 1.9,1241 1.048,1242 1.887,1243 1.307,1244 1.251,1245 1.513,1246 1.558,1247 0.825,1248 1.542,1249 1.153,1250 1.064,1251 1.473,1252 1.376,1253 0.429,1254 1.429,1255 0.968,1256 0.926,1257 1.168,1258 1.194,1259 0.255,1260 1.177,1261 0.691,1262 0.616,1263 1.034,1264 1.047,1265 0.152,1266 1.034,1267 0.62,1268 0.565,1269 0.873,1270 0.873,1272 0.881,1273 0.365,1274 0.29,1275 0.785,1276 0.651,1278 0.672,1279 3.664,1281 4.963,1283 6.488,1285 8.11,1287 9.778,1295 3.269,1296 2.573,1297 5.315,1300 2.242,1305 19.128,1306 49.327,1307 106.452,1308 122.452,1309 127.207,1310 127.207,1311 127.207,1312 20.07,1313 6.441,1314 58.22,1315 58.22,1316 18,1317 12.008,1318 3.17,1319 2.585,1320 23.73,1321 45,1322 38,1323 0.277,1324 117.437,1325 205.56,1326 278.306,1327 4541,1329 11.665,1330 0.686,1331 0.55,1332 11.665,1333 9.349,1334 8.343,1335 0.439,1336 0.297,1337 5.53,1338 7.894,1339 5.46,1340 4.455,1341 8.343,1342 5.646,1343 7.303,1344 0.281,1345 0.155,1346 7.303,1347 4.033,1348 6.364,1349 0.182,1350 0.086,1351 6.364,1352 3.001,1353 5.355,1354 0.119,1355 0.046,1356 5.355,1357 2.075,1358 4.334,1359 0.076,1360 0.024,1361 4.334,1362 1.396,1363 0.417,1364 53.121,1365 0.276,1366 16.929,1367 0.809,1368 90,1369 287.094,1370 101.004,1371 269.303,1372 365.65,1373 254,1374 106,1375 262.526,1376 117.09,1377 262.927,1378 386.63,1379 248,1380 4.848}
{0 CHEMBL1645101,1 1.635,2 5.733,3 0.233,4 0.054,5 57.372,6 7.565,7 0.588,8 3.452,9 3.582,10 3.055,11 2.896,12 4.508,13 2.913,14 4.008,15 4.194,16 3.365,17 3.275,18 4.993,19 3.275,20 4.155,21 4.381,22 3.301,23 3.361,24 5.055,25 3.302,26 4.087,27 4.321,28 3.167,29 3.347,30 4.932,31 3.239,32 4.106,33 4.367,34 2.975,35 3.246,36 4.892,37 3.108,38 4.019,39 4.313,40 2.701,41 2.892,42 4.864,43 2.772,44 3.519,45 3.855,46 1.99,47 2.022,48 4.463,49 1.911,50 1.758,51 2.115,52 0.131,53 0.561,54 2.14,55 0.382,56 0.058,57 0.443,58 5.672,59 2.101,60 5.01,61 2.946,62 0.23,63 0.677,64 11.564,65 3.219,66 13.86,67 4.726,68 0.306,69 0.732,70 14.156,71 4.125,72 16.9,73 6.233,74 0.178,75 0.697,76 12.735,77 4.761,78 11.331,79 6.943,80 0.142,81 0.633,82 13.733,83 4.691,84 13.438,85 7.167,86 0.24,87 0.498,88 13.676,89 3.088,90 19.691,91 5.285,92 0.366,93 0.221,94 9.391,95 1.248,96 22.507,97 2.524,98 0.04,99 0.021,100 1.575,101 0.34,102 2.535,103 0.559,105 23,106 0.321,107 0.682,108 0.774,109 0.789,110 0.789,111 0.789,112 2.798,113 0.893,114 -1.87,115 -1.93,116 -1.94,119 37,125 4,142 1,143 1,144 1,145 2,161 1,168 1,175 5,178 1,180 1,183 1,186 2,198 2,199 1,202 1,204 1,212 2,236 2,240 1,275 206,276 10.621,277 10.621,278 10.621,279 10.621,280 10.621,281 9.489,282 10.455,283 6.471,284 11.015,285 8.426,286 8.426,287 8.426,288 8.426,289 8.426,290 6.74,291 14.862,292 3.061,293 9.027,294 3.12,295 1.287,296 0.815,297 0.741,298 0.741,299 0.741,300 3.477,304 1,305 1,306 191,307 1.414,310 25.241,311 69.401,314 47.524,318 0.853,319 9.571,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 33,331 86,332 4.547,333 3.27,334 6.693,335 4.094,336 3.132,337 4.473,338 0.86,339 10.838,340 3.012,341 3.738,342 2.713,343 5.763,344 3.434,345 2.508,346 3.051,347 0.8,348 7.791,349 2.319,350 3.05,351 2.233,352 4.658,353 2.721,354 1.796,355 2.322,357 4.729,358 1.658,359 3.015,360 1.565,361 4.051,362 2.492,363 1.548,364 2.095,366 3.621,367 1.457,368 2.5,369 1.543,370 3.548,371 2.11,372 1.229,373 1.5,375 2.814,376 1.074,377 2.364,378 1.256,379 3.397,380 1.964,381 1,382 1.351,384 2.23,385 0.961,386 2,387 1,388 3.247,389 1.952,390 1,391 1,393 2.136,394 0.946,395 1.884,396 0.535,397 3.09,398 1.409,399 0.469,400 0.653,402 1.184,403 0.44,404 0.9,405 -0.3,406 2.436,407 0.502,408 -0.435,409 -0.526,411 -1.039,412 -0.406,413 0.5,414 -0.36,415 2.168,416 0.031,417 -0.928,418 -1,420 -2.129,421 -0.846,422 0.226,423 -0.827,424 1.671,425 -0.049,426 -1,427 -1.098,428 -2.347,429 -0.887,431 -1,432 1.555,433 -0.149,434 -1,435 -1.5,436 -2.433,437 -0.947,438 -0.103,439 -1.522,440 1.495,441 -0.628,442 -1.589,443 -2,445 -4.58,446 -1.517,447 -0.361,448 -1.635,449 1.023,450 -0.828,451 -1.77,452 -2.056,454 -4.789,455 -1.675,456 -0.5,457 -1.641,458 0.564,459 -1.009,460 -1.959,461 -2.424,462 -0.4,463 -5.065,464 -1.8,465 6.933,466 0.462,467 0.223,468 0.015,469 19.25,470 1.283,471 8.5,472 0.567,473 10.75,474 0.717,475 9.327,476 0.622,477 16.467,478 0.61,479 10.501,480 0.7,481 3.914,482 0.261,483 3.535,484 0.236,487 0.274,493 0.866,494 1.502,495 0.736,496 1.229,497 0.699,498 0.996,499 1.485,500 1.135,501 0.999,502 0.886,503 1.204,504 0.862,505 1.096,506 0.958,507 1.028,508 0.892,509 0.9,510 0.946,511 0.418,512 0.975,513 0.949,514 1.207,515 0.53,516 1.185,517 0.565,518 1.152,519 0.951,520 1.277,521 0.782,522 1.202,523 1.222,524 1.041,525 1.14,526 1.055,527 1.395,528 1.064,529 1.625,530 0.229,531 1.205,532 0.31,533 1.743,534 0.609,535 1.561,537 0.615,538 0.007,539 1.217,540 0.173,541 1.5,543 1.556,544 0.75,545 0.354,546 0.216,547 0.109,548 0.015,551 1668,552 4472,553 2.228,554 44.4,556 9,558 2,559 1,564 1.535,565 2.195,566 2.606,567 -0.134,573 44.143,574 1.635,575 3.468,576 3.94,577 4.014,578 4.014,579 4.014,580 1.933,581 3.19,582 3.885,583 2.644,584 277.582,585 6.524,586 2237.84,588 1,591 128.382,592 0.837,593 3.881,594 0.088,596 0.068,597 0.036,598 0.02,599 0.015,600 0.012,601 0.005,604 0.244,605 0.83,606 1,608 57.111,609 0.014,610 -0.252,611 0.091,612 -0.158,613 0.114,614 -0.041,615 -0.275,616 -0.036,617 -0.069,618 0.082,619 -0.168,620 0.047,621 -0.097,622 0.055,623 -0.086,624 0.085,625 -0.018,626 0.008,627 0.15,628 0.046,629 -0.064,630 -0.15,631 0.095,632 -0.155,633 0.052,634 -0.248,635 -0.022,636 -0.237,637 -0.037,638 -0.157,639 -0.173,640 -0.209,641 -0.106,642 -0.19,643 -0.218,644 -0.132,645 0.12,646 0.462,647 0.003,648 0.355,649 0.022,650 0.201,651 -0.066,652 0.326,653 0.662,654 0.86,655 0.111,656 0.874,657 0.82,658 1.834,659 1,660 6.516,661 1.01,662 1.143,663 0.643,664 0.413,665 0.649,666 2.89,667 3.178,668 3.497,669 3.784,670 3.932,671 3.892,672 3.97,673 3.97,674 3.738,675 3.611,676 3.661,677 0.626,678 204.26,679 2.89,680 4.394,681 5.252,682 6.125,683 7,684 7.881,685 8.762,686 9.646,687 10.529,688 11.414,689 14.8,695 1,697 1,699 2,703 2,704 3,705 2,706 1,709 1,711 10,726 1,731 27,733 10,735 17,737 29,738 10,739 6,746 3,747 4,761 6,762 4,778 1,781 12,782 4,783 1,784 5,790 4,794 0.667,795 1,803 1,805 1,811 1,812 2,815 1,839 1,840 2,848 15,854 4,856 1,859 1,870 3.7,874 1,877 6.833,878 4.767,879 3.333,880 1.615,881 2.075,882 1.337,883 1.015,884 2.215,885 8.236,886 3.135,887 3.72,888 4.371,889 4.999,890 5.428,891 5.7,892 6.041,893 6.327,894 5.972,895 6.091,896 0.75,897 21,898 5.515,899 -0.001,900 2.317,901 7.567,902 10.74,904 8.823,905 2.067,906 31,907 0.006,910 129.482,911 48.012,912 53.236,914 11,917 48.012,918 140.482,919 53.236,921 13.396,922 9.476,923 69.706,924 43.212,926 105.94,928 129.482,929 101.248,930 11,933 129.482,935 11,937 49.869,938 17.93,939 33.449,941 129.482,942 64.236,943 48.012,946 129.482,947 20.441,948 30.695,949 16.663,950 44.448,951 129.482,952 64.236,953 48.012,955 0.566,956 0.344,957 0.203,958 0.103,959 13,960 4,961 0.034,962 1,963 1,964 1.133,965 2.829,966 103.448,967 0.133,968 15,969 54.603,974 8.978,975 3.7,976 1.547,977 1.929,978 47.573,979 5.668,980 8.232,981 2.88,984 1.192,986 16.663,987 241.73,988 22,999 27.269,1000 30.863,1001 0.344,1002 0.729,1003 0.829,1004 0.844,1005 0.844,1006 0.844,1007 4.337,1008 0.469,1009 5.198,1010 2.136,1011 3.85,1012 4.401,1013 1.235,1014 6.004,1015 3.728,1016 5.504,1017 -0.435,1018 6.739,1019 1.184,1020 3.219,1021 4.111,1022 0.325,1023 6.917,1024 3.074,1025 6.795,1026 -0.928,1027 8.394,1028 -1.039,1029 5.407,1030 6.644,1031 0.938,1032 10.075,1033 5.186,1034 8.135,1035 -1,1036 10.122,1037 -2.129,1038 5.74,1039 7.369,1040 0.268,1041 11.906,1042 5.51,1043 9.521,1044 -1,1045 11.898,1046 -2.347,1047 7.3,1048 9.277,1049 0.732,1050 14.543,1051 7.003,1052 10.939,1053 -1.589,1054 13.707,1055 -2.433,1056 8.077,1057 10.445,1058 0.188,1059 16.706,1060 7.769,1061 12.38,1062 -1.77,1063 15.538,1064 -4.58,1065 9.38,1066 12.109,1067 0.57,1068 19.178,1069 9.016,1070 3.132,1071 -1.959,1072 17.385,1073 -4.789,1074 10.358,1075 13.468,1076 0.125,1077 21.469,1078 9.975,1079 2.508,1080 10.838,1081 19.242,1082 -5.065,1083 11.556,1084 15.034,1085 0.438,1086 23.885,1087 11.127,1088 1.796,1089 7.791,1090 21.108,1091 4.473,1092 12.624,1093 16.473,1094 0.082,1095 26.228,1096 12.168,1097 1.548,1098 4.729,1099 22.98,1100 3.051,1101 13.782,1102 18,1103 0.334,1104 28.623,1105 13.285,1106 1.229,1107 3.621,1108 24.856,1109 2.322,1110 14.889,1111 19.473,1112 0.054,1113 30.988,1114 14.361,1115 1,1116 2.814,1117 26.737,1118 2.095,1119 16.033,1120 20.983,1121 0.252,1122 33.375,1123 15.466,1124 1,1125 2.23,1126 28.62,1127 1.5,1128 17.158,1129 22.47,1130 0.035,1131 35.751,1132 16.556,1133 1610,1134 2708,1135 12.019,1136 17.523,1137 25.489,1138 25.48,1139 25.597,1140 25.388,1141 25.363,1142 32.889,1143 3.32,1144 70.686,1145 23.733,1146 5.547,1147 5.27,1148 6.494,1149 5.197,1150 5.132,1151 7.473,1152 1.72,1153 17.992,1154 4.958,1156 1.499,1157 1.499,1158 1.506,1159 1.493,1160 1.492,1161 1.935,1162 0.195,1163 4.158,1164 1.396,1165 4.09,1166 4.141,1167 4.058,1168 3.94,1169 5.152,1170 3.963,1171 3.726,1172 3.787,1173 3.611,1174 3.493,1175 4.627,1176 3.511,1177 3.321,1178 3.393,1179 3.229,1180 3.124,1181 4.478,1182 3.139,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.977,1188 2.91,1189 2.927,1190 2.996,1191 2.842,1192 2.654,1193 3.502,1194 2.692,1195 2.62,1196 2.714,1197 2.447,1198 2.309,1199 3.474,1200 2.328,1201 2.222,1202 2.32,1203 2.127,1204 1.993,1205 3.224,1206 2.009,1207 2.157,1208 2.277,1209 1.91,1210 1.809,1211 3.001,1212 1.827,1213 0.267,1214 0.192,1215 0.394,1216 0.241,1217 0.184,1218 4.547,1219 0.263,1220 3.27,1221 0.051,1222 6.693,1223 0.638,1224 4.094,1225 0.177,1226 3.132,1227 4.473,1228 0.86,1229 10.838,1230 3.012,1231 1.901,1232 1.866,1233 1.998,1234 2.055,1235 1.238,1236 2.04,1237 1.615,1238 1.56,1239 1.814,1240 1.854,1241 0.977,1242 1.841,1243 1.27,1244 1.178,1245 1.513,1246 1.623,1247 0.825,1248 1.574,1249 1.153,1250 1.064,1251 1.417,1252 1.376,1253 0.327,1254 1.429,1255 1.017,1256 0.96,1257 1.222,1258 1.184,1259 0.261,1260 1.205,1261 0.714,1262 0.629,1263 1.064,1264 1.088,1265 0.196,1266 1.077,1267 0.316,1268 0.219,1269 0.785,1270 0.618,1272 0.65,1273 0.172,1274 0.002,1275 0.658,1276 0.563,1278 0.635,1279 3.555,1281 4.844,1282 2.398,1283 6.354,1284 4.595,1285 7.965,1286 6.605,1287 9.627,1295 3.456,1297 5.334,1300 2.309,1305 16.908,1306 44.143,1307 93.627,1308 106.382,1309 108.382,1310 108.382,1311 108.382,1312 12.858,1313 6.161,1314 54.04,1315 54.04,1316 17,1317 11.947,1318 3.459,1319 2.585,1320 19.83,1321 32,1322 30,1323 0.315,1324 103.978,1325 164.91,1326 245.465,1327 3142,1329 10.088,1330 0.673,1331 0.554,1332 10.088,1333 8.31,1334 7.449,1335 0.438,1336 0.298,1337 4.942,1338 6.998,1339 4.887,1340 3.987,1341 7.449,1342 5.058,1343 6.348,1344 0.276,1345 0.155,1346 6.348,1347 3.562,1348 5.636,1349 0.176,1350 0.084,1351 5.636,1352 2.683,1353 4.965,1354 0.115,1355 0.045,1356 4.965,1357 1.917,1358 3.819,1359 0.076,1360 0.024,1361 3.819,1362 1.214,1363 0.458,1364 47.68,1365 0.288,1366 14.833,1367 0.969,1368 80,1369 243.004,1370 90.178,1371 228.933,1372 318.33,1373 218,1374 95,1375 237.017,1376 106.206,1377 236.387,1378 347.18,1379 223,1380 4.533}
{0 CHEMBL1645102,1 1.855,2 6.333,3 0.856,4 0.732,5 57.415,6 8.456,7 0.313,8 3.43,9 3.523,10 3.159,11 2.923,12 4.564,13 2.896,14 3.981,15 4.145,16 3.572,17 3.277,18 5.206,19 3.233,20 4.097,21 4.285,22 3.579,23 3.351,24 5.157,25 3.263,26 4.077,27 4.261,28 3.354,29 3.332,30 5.249,31 3.175,32 3.948,33 4.162,34 3.019,35 3.045,36 5.058,37 2.925,38 3.623,39 3.801,40 2.706,41 2.82,42 4.651,43 2.74,44 3.799,45 4.039,46 2.427,47 2.56,48 4.966,49 2.472,50 3.537,51 3.823,52 1.802,53 1.856,54 4.852,55 1.746,56 0.101,57 0.407,58 5.437,59 2.69,60 10.098,61 2.983,62 0.395,63 0.647,64 13.179,65 3.992,66 39.662,67 4.87,68 0.406,69 0.69,70 16.14,71 4.93,72 26.601,73 5.712,74 0.313,75 0.69,76 21.031,77 6.223,78 29.185,79 6.802,80 0.478,81 0.525,82 17.223,83 4.252,84 40.236,85 4.986,86 0.126,87 0.377,88 6.942,89 3.215,90 13.886,91 4.17,92 0.364,93 0.327,94 11.778,95 3.338,96 51.009,97 4.22,98 0.575,99 0.178,100 11.589,101 2.159,102 63.42,103 2.777,104 11,105 22,106 0.373,107 0.642,108 0.771,109 0.771,110 0.771,111 0.771,112 2.795,113 1.037,114 -1.93,115 -1.98,116 -1.98,119 33.3,120 1,125 4,146 1,152 1,158 1,162 1,167 1,170 1,174 1,175 3,178 1,184 1,186 1,187 1,188 1,192 1,195 1,196 1,198 1,199 2,200 1,202 1,204 1,211 2,212 1,215 1,237 1,238 1,249 1,253 1,275 207,276 9.914,277 9.914,278 9.914,279 9.914,280 9.914,281 9.148,282 15.158,283 5.902,284 10.415,285 7.889,286 7.889,287 7.889,288 7.889,289 7.889,290 6.677,291 20.572,292 2.791,293 8.733,294 2.9,295 1.558,296 0.917,297 0.917,298 0.917,299 0.917,300 3.437,304 1,305 1,306 195,307 2.236,310 39.353,311 47.229,318 1.022,319 19.602,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 34,331 95,332 4.428,333 3.62,334 6.47,335 3.987,336 3.083,337 4.089,338 1.437,339 10.03,340 2.79,341 3.792,342 3.133,343 5.996,344 3.544,345 2.619,346 3.002,347 0.86,348 8.412,349 2.396,350 3.235,351 2.606,352 4.741,353 2.864,354 1.913,355 2.353,356 0.8,357 4.922,358 1.804,359 2.817,360 2.221,361 4.317,362 2.522,363 1.631,364 1.859,366 3.976,367 1.428,368 2.341,369 1.414,370 3.566,371 1.952,372 1.063,373 1.249,375 2.606,376 0.946,377 2.137,378 1.256,379 3.457,380 1.891,381 1,382 1.045,384 2.136,385 0.87,386 2,387 1.176,388 3.247,389 1.649,390 0.77,391 1,393 2.015,394 0.654,395 0.652,396 0.413,397 2.406,398 0.353,399 -0.585,400 -0.638,402 -1.374,403 -0.542,404 0.472,405 -0.26,406 2,407 0.202,408 -0.717,409 -0.805,411 -1.724,412 -0.638,413 0.348,414 -0.36,415 1.601,416 -0.013,417 -1,418 -1,420 -2,421 -0.846,423 -0.5,424 1.555,425 -0.149,426 -1,427 -1.317,428 -2.347,429 -0.965,430 -0.042,431 -1.129,432 1.402,433 -0.407,434 -1.31,435 -1.577,436 -3.919,437 -1.187,438 -0.315,439 -1.442,440 1.044,441 -0.674,442 -1.633,443 -1.992,444 -0.4,445 -4.789,446 -1.449,447 -0.599,448 -1.635,449 1,450 -0.996,451 -1.89,452 -2,453 -0.4,454 -5.12,455 -1.646,456 -0.766,457 -1.808,458 1,459 -1.103,460 -1.944,461 -2.611,462 -0.86,463 -6.186,464 -1.8,465 7.133,466 0.476,467 0.404,468 0.027,469 16.25,470 1.083,471 6,472 0.4,473 10.25,474 0.683,475 11.891,476 0.793,477 17.467,478 0.647,479 9.255,480 0.617,481 3.214,482 0.214,483 3.968,484 0.265,485 0.164,487 0.336,493 0.871,494 1.488,495 0.723,496 1.048,497 0.728,498 0.992,499 0.912,500 1.055,501 0.772,502 0.822,503 0.441,504 0.769,505 0.95,506 0.988,507 0.891,508 0.905,509 0.744,510 0.898,511 0.638,512 1.434,513 1.716,514 1.757,515 0.609,516 1.362,517 1.028,518 0.736,519 1.388,520 1.079,521 1.225,522 1.033,523 0.687,524 1.299,525 0.674,526 1.205,527 0.759,528 1.425,529 1.452,530 0.871,531 0.755,532 0.8,533 1.942,534 1.041,535 1.713,536 0.107,537 0.725,538 0.113,539 2.068,540 0.435,541 3,543 1.778,544 1.132,545 0.691,546 0.452,547 0.18,548 0.094,549 0.041,551 1503,552 5361,553 1.993,554 44.4,556 8,559 1,560 3,564 1.532,565 1.837,566 2.736,567 -0.069,571 1,573 50.078,574 1.855,575 3.197,576 3.838,577 3.838,578 3.838,579 3.838,580 2.206,581 3.24,582 3.879,583 2.793,584 293.214,585 6.506,586 2381.33,588 1,591 128.382,592 1.506,593 3.82,594 0.188,596 0.081,597 0.057,598 0.041,599 0.038,600 0.018,601 0.016,602 0.02,604 0.457,605 0.67,606 1,607 0.985,608 58.025,609 -0.117,610 -0.287,611 0.055,612 -0.025,613 -0.079,614 -0.019,615 0.014,616 0.045,617 0.171,618 0.164,619 0.202,620 0.17,621 -0.09,622 0.086,623 0.105,624 0.106,625 -0.053,626 0.061,627 0.055,628 -0.293,629 -0.343,630 -0.407,631 0.132,632 -0.3,633 -0.054,634 0.283,635 -0.282,636 -0.048,637 -0.181,638 -0.085,639 0.024,640 -0.394,641 -0.118,642 -0.439,643 -0.025,644 -0.442,645 -0.208,646 -0.207,647 -0.019,648 -0.113,649 -0.304,650 -0.124,651 0.045,652 0.357,653 0.183,654 0.503,655 -0.127,656 0.421,657 2.565,658 3.845,659 0.733,660 8.453,661 1.025,662 1.134,663 0.698,664 0.487,665 0.66,666 2.833,667 3.135,668 3.367,669 3.584,670 3.664,671 3.638,672 3.555,673 3.367,674 3.219,675 2.833,676 3.95,677 0.63,678 228.3,679 2.833,680 4.344,681 5.176,682 6.043,683 6.899,684 7.772,685 8.636,686 9.512,687 10.38,688 11.256,689 7.4,695 1,699 1,705 1,708 1,709 3,711 5,720 1,726 1,731 27,733 6,735 16,737 28,738 9,739 3,742 1,746 2,747 2,752 1,761 4,762 5,766 1,771 1,775 1,778 1,781 12,782 5,783 1,784 6,785 1,790 2,794 1,795 3,811 1,812 1,838 1,839 1,840 2,842 1,844 1,848 15,853 1,854 4,856 1,859 1,863 1,870 11.1,872 1,873 1,874 1,877 8.167,878 5.1,879 3.333,880 1.567,881 1.052,882 1.185,883 0.908,884 3.213,885 6.749,886 3.02,887 3.534,888 4.023,889 4.522,890 4.706,891 4.893,892 4.797,893 4.605,894 4.511,895 4.227,896 1,897 20,898 5.544,899 -0.001,900 2.322,901 8.033,902 10.415,904 8.304,905 2.533,906 38,907 0.003,910 129.482,911 59.025,912 19.91,914 78.828,916 31.278,917 27.747,918 208.31,919 19.91,920 8.825,921 13.396,923 96.524,924 6.382,925 1.358,926 160.76,928 129.482,929 47.657,930 78.828,931 31.278,933 129.482,934 67.828,935 11,937 25.479,938 5.393,939 16.786,940 31.278,941 129.482,942 98.738,943 59.025,946 129.482,947 50.2,948 11.95,950 95.614,951 129.482,952 98.738,953 59.025,955 0.58,956 0.335,957 0.179,958 0.09,959 11,960 5,961 0.071,962 2,964 1,965 2.705,966 95.941,968 11,969 54.603,970 1,974 10.83,975 4.451,976 2.289,978 98.738,980 4.264,983 1.234,984 1.707,986 42.683,987 287.245,988 19.5,993 10.845,997 -0.899,999 27.68,1000 30.621,1001 0.39,1002 0.672,1003 0.807,1004 0.807,1005 0.807,1006 0.807,1007 4.252,1008 -0.585,1009 5.165,1010 2.015,1011 3.807,1012 4.212,1013 2.024,1014 5.964,1015 3.611,1016 5.429,1017 -0.717,1018 6.723,1019 -1.374,1020 3.434,1021 4.086,1022 0.325,1023 6.868,1024 3.184,1025 6.725,1026 -1,1027 8.385,1028 -1.724,1029 5.38,1030 6.306,1031 2.405,1032 9.95,1033 4.994,1034 8.06,1035 -1,1036 10.109,1037 -2,1038 5.832,1039 7.052,1040 0.268,1041 11.684,1042 5.369,1043 9.432,1044 -1.31,1045 11.87,1046 -2.347,1047 7.274,1048 8.771,1049 2.979,1050 14.264,1051 6.696,1052 10.829,1053 -1.633,1054 13.656,1055 -3.919,1056 8.09,1057 9.891,1058 0.188,1059 16.317,1060 7.42,1061 12.246,1062 -1.89,1063 15.46,1064 -4.789,1065 9.332,1066 11.419,1067 3.639,1068 18.718,1069 8.556,1070 3.083,1071 -1.944,1072 17.276,1073 -5.12,1074 10.312,1075 12.702,1076 0.125,1077 20.904,1078 9.437,1079 2.619,1080 10.03,1081 19.1,1082 -6.186,1083 11.474,1084 14.157,1085 4.337,1086 23.237,1087 10.496,1088 1.913,1089 8.412,1090 20.931,1091 4.089,1092 12.527,1093 15.51,1094 0.082,1095 25.482,1096 11.448,1097 1.631,1098 4.922,1099 22.767,1100 3.002,1101 13.658,1102 16.936,1103 5.05,1104 27.791,1105 12.478,1106 1.063,1107 3.976,1108 24.606,1109 2.353,1110 14.746,1111 18.32,1112 0.054,1113 30.063,1114 13.464,1115 1,1116 2.606,1117 26.449,1118 1.859,1119 15.867,1120 19.734,1121 5.77,1122 32.364,1123 14.484,1124 0.77,1125 2.136,1126 28.294,1127 1.249,1128 16.97,1129 21.132,1130 0.035,1131 34.65,1132 15.486,1133 1577,1134 3061,1135 10.345,1136 17.83,1137 24.438,1138 24.849,1139 25.087,1140 24.128,1141 24.159,1142 29.194,1143 6.193,1144 68.192,1145 21.776,1146 5.428,1147 5.464,1148 6.272,1149 5.107,1150 5.083,1151 6.747,1152 2.873,1153 16.666,1154 4.605,1155 7.443,1156 1.527,1157 1.553,1158 1.568,1159 1.508,1160 1.51,1161 1.825,1162 0.387,1163 4.262,1164 1.361,1165 3.932,1166 3.958,1167 4.254,1168 3.883,1169 7.475,1170 3.827,1171 3.681,1172 3.719,1173 3.591,1174 3.483,1175 6.351,1176 3.492,1177 3.202,1178 3.207,1179 3.18,1180 2.941,1181 4.801,1182 2.92,1183 3.111,1184 3.206,1185 2.995,1186 2.908,1187 4.58,1188 2.91,1189 3.027,1190 3.091,1191 2.866,1192 2.816,1193 3.826,1194 2.812,1195 2.664,1196 2.74,1197 2.623,1198 2.339,1199 3.504,1200 2.345,1201 2.097,1202 2.271,1203 2.13,1204 1.756,1205 3.474,1206 1.705,1207 2.094,1208 2.154,1209 1.845,1210 1.737,1211 3.128,1212 1.691,1213 0.277,1214 0.226,1215 0.404,1216 0.249,1217 0.193,1218 4.428,1219 0.256,1220 3.62,1221 0.09,1222 6.47,1223 0.627,1224 3.987,1225 0.174,1226 3.083,1227 4.089,1228 1.437,1229 10.03,1230 2.79,1231 1.708,1232 1.655,1233 1.912,1234 1.952,1235 1.199,1236 1.945,1237 1.58,1238 1.566,1239 1.739,1240 1.738,1241 0.853,1242 1.738,1243 1.215,1244 1.199,1245 1.513,1246 1.45,1247 0.825,1248 1.429,1249 1.153,1250 1.064,1251 1.231,1252 1.376,1253 0.448,1254 1.42,1255 0.915,1256 0.878,1257 1.129,1258 1.229,1259 0.224,1260 1.219,1261 0.522,1262 0.45,1263 0.789,1264 0.849,1266 0.869,1267 0.398,1268 0.346,1269 0.785,1270 0.687,1272 0.726,1273 0.172,1274 0.002,1275 0.561,1276 0.563,1278 0.65,1279 3.497,1281 4.796,1282 2.398,1283 6.286,1284 4.727,1285 7.857,1286 6.823,1287 9.471,1289 1.726,1294 8.905,1295 2.931,1297 5.225,1300 2.063,1305 17.008,1306 50.078,1307 86.328,1308 103.627,1309 103.627,1310 103.627,1311 103.627,1312 22.698,1313 5.697,1314 62.66,1315 90.9,1316 11,1317 11.797,1318 2.807,1319 2.17,1320 23.543,1321 35,1322 30,1323 0.352,1324 110.241,1325 187.6,1326 260.748,1327 1578,1329 10.836,1330 0.722,1331 0.614,1332 11.19,1333 9.211,1334 7.182,1335 0.449,1336 0.346,1337 4.676,1338 6.324,1339 4.493,1340 3.675,1341 7.59,1342 5.533,1343 6.515,1344 0.296,1345 0.195,1346 7.13,1347 4.293,1348 5.153,1349 0.184,1350 0.124,1351 6.127,1352 3.467,1353 4.25,1354 0.121,1355 0.069,1356 5.119,1357 2.428,1358 2.956,1359 0.078,1360 0.039,1361 3.64,1362 1.466,1363 0.522,1364 50.31,1365 0.311,1366 15.018,1367 1.047,1368 76,1369 285.771,1370 114.566,1371 283.236,1372 372.59,1373 264,1374 88,1375 242.68,1376 125.529,1377 256.935,1378 379.64,1379 240,1380 4.559}
{0 CHEMBL1645103,1 1.694,2 7.059,3 -0.032,4 0.001,5 62.47,6 8.01,7 0.579,8 3.532,9 3.666,10 3.165,11 2.928,12 4.681,13 2.973,14 4.065,15 4.26,16 3.499,17 3.292,18 5.192,19 3.317,20 4.207,21 4.418,22 3.509,23 3.39,24 5.257,25 3.383,26 4.189,27 4.446,28 3.326,29 3.269,30 5.318,31 3.222,32 4.032,33 4.306,34 3.036,35 3.089,36 5.006,37 3.018,38 3.707,39 3.938,40 2.815,41 2.901,42 4.63,43 2.825,44 3.612,45 3.839,46 2.671,47 2.757,48 4.576,49 2.684,50 3.52,51 3.779,52 2.334,53 2.503,54 4.505,55 2.4,56 0.086,57 0.486,58 5.518,59 1.805,60 7.71,61 2.708,62 0.375,63 0.707,64 11.749,65 3.199,66 22.922,67 4.546,68 0.341,69 0.788,70 13.864,71 3.497,72 19.038,73 5.734,74 0.404,75 0.704,76 14.351,77 3.426,78 36.728,79 5.657,80 0.356,81 0.552,82 13.171,83 2.969,84 27.04,85 5.193,86 0.182,87 0.431,88 8.492,89 2.795,90 11.394,91 4.111,92 0.199,93 0.371,94 7.875,95 2.289,96 13.16,97 3.505,98 0.159,99 0.29,100 7.515,101 1.816,102 16.664,103 3.054,104 2,105 26,106 0.326,107 0.67,108 0.777,109 0.79,110 0.79,111 0.79,112 2.909,113 0.853,114 -2.55,115 -2.58,116 -2.52,119 34.5,125 4,143 1,145 1,147 1,148 1,149 1,150 1,163 1,164 1,165 1,174 5,175 4,177 1,178 1,180 1,185 1,186 1,198 4,199 1,201 3,202 3,211 2,223 1,226 1,227 1,236 1,237 1,262 1,265 1,266 1,275 259,276 11.776,277 11.776,278 11.776,279 11.776,280 11.776,281 10.489,282 13.617,283 7.065,284 12.312,285 9.393,286 9.393,287 9.393,288 9.393,289 9.393,290 7.477,291 17.362,292 3.354,293 10.24,294 3.164,295 1.379,296 0.828,297 0.759,298 0.759,299 0.759,300 3.592,304 1,305 1,306 263,307 1.581,311 118.656,315 62.228,318 1.128,319 16.508,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 38,331 120,332 4.517,333 3.184,334 6.49,335 4.015,336 3.069,337 4.457,338 0.86,339 10.116,340 2.91,341 3.955,342 2.945,343 6.101,344 3.656,345 2.737,346 3.33,347 0.8,348 8.887,349 2.505,350 3.359,351 2.325,352 5.043,353 2.924,354 2.011,355 2.676,357 5.738,358 1.834,359 3.089,360 2.009,361 4.416,362 2.654,363 1.754,364 2.313,366 4.379,367 1.576,368 2.881,369 1.614,370 4.103,371 2.436,372 1.52,373 1.963,375 3.655,376 1.388,377 2.41,378 1.38,379 3.505,380 2.004,381 1.13,382 1.38,384 2.664,385 0.983,386 2.195,387 1.256,388 3.348,389 1.952,390 1,391 1.151,393 2.136,394 0.946,395 2,396 0.952,397 3.247,398 1.8,399 0.891,400 1,402 2.083,403 0.808,404 1.173,405 -0.087,406 2.578,407 0.699,408 -0.212,409 -0.277,411 -0.491,412 -0.192,413 1.025,414 -0.229,415 2.372,416 0.563,417 -0.351,418 -0.44,420 -0.882,421 -0.32,422 0.59,423 -0.36,424 2.263,425 0.142,426 -0.785,427 -0.966,428 -1.855,429 -0.726,430 0.271,431 -0.707,432 1.931,433 0.01,434 -0.926,435 -1,436 -2.347,437 -0.846,439 -0.849,440 1.555,441 -0.149,442 -1,443 -1.24,445 -2.484,446 -0.862,447 -0.006,448 -1.305,449 1.389,450 -0.464,451 -1.384,452 -1.858,454 -3.574,455 -1.268,456 -0.212,457 -1.406,458 1.243,459 -0.607,460 -1.553,461 -1.938,463 -4.641,464 -1.458,465 7.733,466 0.455,467 0.329,468 0.019,469 24,470 1.412,471 11,472 0.647,473 13,474 0.765,475 10.01,476 0.589,477 18.667,478 0.644,479 14.204,480 0.836,481 4.74,482 0.279,483 3.604,484 0.212,485 0.052,487 0.31,493 1.015,494 1.806,495 0.715,496 1.318,497 1.006,498 0.992,499 1.24,500 0.821,501 0.892,502 0.771,503 0.845,504 0.776,505 1.12,506 1.42,507 0.928,508 1.078,509 0.86,510 0.987,511 0.791,512 0.811,513 1.07,514 0.97,515 0.976,516 1.05,517 0.847,518 0.846,519 1.003,520 0.833,521 0.945,522 0.915,523 0.751,524 0.917,525 1.044,526 1.238,527 0.76,528 1.213,529 0.994,530 1.069,531 1.155,532 1.239,533 0.991,534 1.242,535 1.126,536 1.226,537 1.317,538 1.434,539 1.66,540 1.41,541 2.5,543 2,544 0.938,545 0.738,546 0.396,547 0.183,548 0.115,549 0.053,550 0.016,551 2415,552 7062,553 2.163,554 41.4,556 8,558 2,559 2,564 1.569,565 2.082,566 2.87,567 0.584,569 1,573 49.133,574 1.694,575 3.479,576 4.03,577 4.099,578 4.099,579 4.099,580 2.307,581 3.41,582 4.062,583 2.941,584 399.971,585 6.864,586 3514.54,588 1,591 140.881,592 1.166,593 4.043,594 0.132,596 0.077,597 0.036,598 0.037,599 0.026,600 0.015,601 0.011,602 0.009,603 0.008,604 0.351,605 0.67,606 1,607 0.481,608 69.37,609 -0.163,610 -0.534,611 0.062,612 -0.235,613 -0.119,614 -0.057,615 -0.067,616 0.275,617 0.023,618 0.192,619 0.063,620 0.122,621 -0.145,622 -0.392,623 -0.007,624 -0.081,625 -0.005,626 -0.031,627 0.055,628 0.194,629 -0.116,630 -0.079,631 0.065,632 -0.131,633 0.018,634 0.056,635 -0.002,636 0.104,637 -0.079,638 0.068,639 0.036,640 0.088,641 -0.127,642 -0.18,643 -0.051,644 -0.187,645 -0.046,646 -0.103,647 -0.213,648 -0.21,649 -0.113,650 -0.241,651 -0.202,652 -0.343,653 -0.328,654 -0.489,655 -0.381,656 -0.433,657 1.261,658 1.785,659 0.941,660 9.751,661 1.02,662 1.153,663 1.324,664 1.753,665 0.647,666 2.996,667 3.296,668 3.584,669 3.829,670 4.06,671 4.06,672 4.174,673 4.205,674 4.234,675 4.043,676 4.305,677 0.635,678 232.28,679 2.996,680 4.511,681 5.361,682 6.229,683 7.094,684 7.969,685 8.84,686 9.717,687 10.591,688 11.47,689 20.7,693 1,695 1,699 4,703 2,704 2,705 4,709 2,711 11,722 1,726 1,731 29,733 11,735 19,737 31,738 10,739 6,746 3,747 4,761 6,762 4,778 1,781 12,782 7,783 2,784 7,790 6,794 0.667,795 1,806 2,812 3,816 1,839 1,840 2,848 17,849 1,854 4,856 1,859 1,870 3.4,874 1,877 8.167,878 5.167,879 3.75,880 1.658,881 2.351,882 1.365,883 1,884 2.649,885 8.792,886 3.239,887 3.839,888 4.466,889 5.069,890 5.66,891 5.96,892 6.333,893 6.651,894 6.956,895 6.666,896 0.8,897 26,898 6.229,900 2.619,901 7.745,902 11.83,904 9.504,905 2.245,906 38.167,907 0.002,910 117.711,911 39.577,912 103.164,914 11,917 39.577,918 128.711,919 103.164,921 13.396,922 32.897,923 101.684,924 25.079,925 4.227,926 94.169,928 117.711,929 142.741,930 11,933 119.426,935 11,937 32.961,938 40.922,939 67.142,941 117.711,942 114.164,943 39.577,946 117.711,947 21.911,948 20.79,950 111.039,951 117.711,952 114.164,953 39.577,955 0.575,956 0.342,957 0.188,958 0.101,959 14,960 5,961 0.032,962 1,963 1,964 1.125,965 3.006,966 121.541,967 0.125,968 16,969 65.487,974 10.477,975 4.298,976 1.959,977 1.263,978 114.164,979 3.08,980 16.678,984 1.072,986 32.897,987 271.452,988 24.5,999 29.589,1000 33.445,1001 0.349,1002 0.716,1003 0.83,1004 0.844,1005 0.844,1006 0.844,1007 4.451,1008 0.891,1009 5.323,1010 2.136,1011 3.97,1012 4.522,1013 1.235,1014 6.116,1015 3.81,1016 5.635,1017 -0.212,1018 6.866,1019 2.083,1020 3.434,1021 4.311,1022 0.325,1023 6.986,1024 3.237,1025 6.934,1026 -0.351,1027 8.515,1028 -0.491,1029 5.533,1030 6.769,1031 0.938,1032 10.095,1033 5.236,1034 8.274,1035 -0.785,1036 10.229,1037 -0.882,1038 5.861,1039 7.455,1040 0.268,1041 11.818,1042 5.539,1043 9.653,1044 -0.926,1045 11.984,1046 -1.855,1047 7.397,1048 9.366,1049 0.732,1050 14.413,1051 6.984,1052 11.059,1053 -1,1054 13.766,1055 -2.347,1056 8.137,1057 10.478,1058 0.188,1059 16.467,1060 7.697,1061 12.485,1062 -1.384,1063 15.568,1064 -2.484,1065 9.426,1066 12.155,1067 0.57,1068 18.878,1069 8.908,1070 3.069,1071 -1.553,1072 17.383,1073 -3.574,1074 10.361,1075 13.471,1076 0.125,1077 21.068,1078 9.81,1079 2.737,1080 10.116,1081 19.207,1082 -4.641,1083 11.543,1084 15.044,1085 0.438,1086 23.409,1087 10.924,1088 2.011,1089 8.887,1090 21.039,1091 4.457,1092 12.569,1093 16.455,1094 0.082,1095 25.658,1096 11.91,1097 1.754,1098 5.738,1099 22.876,1100 3.33,1101 13.706,1102 17.983,1103 0.334,1104 27.972,1105 12.987,1106 1.52,1107 4.379,1108 24.717,1109 2.676,1110 14.775,1111 19.439,1112 0.054,1113 30.248,1114 14.012,1115 1.13,1116 3.655,1117 26.561,1118 2.313,1119 15.893,1120 20.948,1121 0.252,1122 32.553,1123 15.076,1124 1,1125 2.664,1126 28.408,1127 1.963,1128 16.984,1129 22.424,1130 0.035,1131 34.843,1132 16.119,1133 2333,1134 4085,1135 13.118,1136 18.773,1137 28.181,1138 28.531,1139 28.72,1140 28.229,1141 28.225,1142 36.54,1143 3.32,1144 79.314,1145 25.898,1146 5.517,1147 5.184,1148 6.292,1149 5.118,1150 5.069,1151 7.457,1152 1.72,1153 16.902,1154 4.801,1155 4.742,1156 1.483,1157 1.502,1158 1.512,1159 1.486,1160 1.486,1161 1.923,1162 0.175,1163 4.174,1164 1.363,1165 4.032,1166 4.084,1167 4.012,1168 3.864,1169 5.266,1170 3.896,1171 3.746,1172 3.804,1173 3.641,1174 3.526,1175 4.908,1176 3.544,1177 3.318,1178 3.394,1179 3.256,1180 3.044,1181 4.634,1182 3.089,1183 3.111,1184 3.206,1185 2.943,1186 2.941,1187 4.531,1188 2.91,1189 3.036,1190 3.14,1191 2.866,1192 2.764,1193 3.989,1194 2.799,1195 2.819,1196 2.902,1197 2.683,1198 2.48,1199 3.757,1200 2.518,1201 2.563,1202 2.67,1203 2.431,1204 2.263,1205 3.474,1206 2.289,1207 2.365,1208 2.442,1209 2.219,1210 2.101,1211 3.346,1212 2.115,1213 0.238,1214 0.168,1215 0.342,1216 0.211,1217 0.162,1218 4.517,1219 0.235,1220 3.184,1221 0.045,1222 6.49,1223 0.532,1224 4.015,1225 0.153,1226 3.069,1227 4.457,1228 0.86,1229 10.116,1230 2.91,1231 1.926,1232 1.883,1233 1.984,1234 2.116,1235 1.2,1236 2.08,1237 1.675,1238 1.617,1239 1.875,1240 1.92,1241 0.963,1242 1.909,1243 1.191,1244 1.117,1245 1.513,1246 1.495,1247 0.825,1248 1.455,1249 1.153,1250 1.064,1251 1.339,1252 1.376,1253 0.29,1254 1.429,1255 0.933,1256 0.845,1257 1.187,1258 1.279,1259 0.144,1260 1.262,1261 0.716,1262 0.619,1263 1.071,1264 1.081,1266 1.078,1267 0.472,1268 0.369,1269 0.785,1270 0.809,1272 0.797,1273 0.314,1274 0.23,1275 0.747,1276 0.563,1278 0.65,1279 3.664,1281 4.963,1283 6.488,1285 8.11,1287 9.778,1293 5.72,1295 2.999,1297 5.285,1300 2.071,1305 18.424,1306 49.133,1307 100.881,1308 116.881,1309 118.881,1310 118.881,1311 118.881,1312 17.189,1313 6.441,1314 90.05,1315 90.05,1316 18,1317 12.008,1318 3.585,1319 2.7,1320 23.73,1321 45,1322 38,1323 0.277,1324 114.639,1325 184.27,1326 271.478,1327 4541,1329 11.665,1330 0.686,1331 0.541,1332 11.665,1333 9.205,1334 8.343,1335 0.439,1336 0.284,1337 5.262,1338 7.806,1339 5.209,1340 4.258,1341 8.343,1342 5.403,1343 7.303,1344 0.281,1345 0.145,1346 7.303,1347 3.766,1348 6.364,1349 0.182,1350 0.077,1351 6.364,1352 2.703,1353 5.355,1354 0.119,1355 0.039,1356 5.355,1357 1.774,1358 4.334,1359 0.076,1360 0.02,1361 4.334,1362 1.149,1363 0.417,1364 53.694,1365 0.276,1366 16.929,1367 0.809,1368 90,1369 299.273,1370 103.869,1371 283.777,1372 391.2,1373 268,1374 106,1375 290.51,1376 120.425,1377 291.065,1378 428.63,1379 273,1380 4.365}
{0 CHEMBL1645105,1 1.723,2 8.389,3 2.599,4 6.757,5 73.096,6 8.874,7 0.8,8 3.505,9 3.603,10 3.288,11 3.146,12 4.705,13 3.107,14 3.954,15 4.082,16 3.69,17 3.505,18 5.129,19 3.45,20 4.031,21 4.174,22 3.552,23 3.548,24 5.144,25 3.463,26 4.055,27 4.234,28 3.355,29 3.468,30 5.104,31 3.35,32 3.976,33 4.201,34 3.183,35 3.315,36 4.952,37 3.164,38 3.838,39 4.083,40 3.093,41 3.099,42 4.759,43 2.957,44 3.452,45 3.626,46 2.878,47 2.757,48 4.604,49 2.701,50 3.303,51 3.478,52 2.645,53 2.54,54 4.483,55 2.474,56 0.039,57 0.437,58 4.726,59 2.511,60 6.712,61 2.706,62 0.201,63 0.689,64 10.241,65 4.196,66 15.376,67 4.583,68 0.111,69 0.74,70 12.361,71 5.083,72 11.1,73 5.384,74 0.141,75 0.731,76 11.394,77 4.922,78 15.494,79 5.618,80 0.108,81 0.669,82 12.443,83 5.029,84 15.796,85 6.186,86 0.121,87 0.579,88 13.981,89 4.785,90 13.691,91 5.751,92 0.12,93 0.4,94 7.143,95 2.613,96 10.583,97 2.658,98 0.109,99 0.338,100 5.363,101 2.046,102 11.88,103 2.157,104 6,105 28,106 0.326,107 0.672,108 0.786,109 0.862,110 0.875,111 0.875,112 2.961,113 0.936,114 -3.52,115 -3.5,116 -3.34,119 44.8,124 1,142 5,143 2,145 1,146 1,147 1,152 1,162 1,163 1,164 1,165 1,172 6,174 1,175 5,177 1,178 1,180 1,183 7,185 1,187 5,195 7,199 4,204 2,207 5,209 2,212 3,217 2,220 2,222 2,224 4,229 1,232 1,234 1,236 1,237 2,242 1,247 1,250 1,252 1,253 1,255 1,260 1,262 1,275 346,276 12.334,277 12.334,278 12.334,279 12.334,280 12.334,281 10.512,282 7.476,283 7.178,284 12.877,285 9.819,286 9.819,287 9.819,288 9.819,289 9.819,290 7.031,291 7.151,292 3.353,293 10.636,294 3.135,295 1.306,296 0.702,297 0.302,298 0.233,299 0.233,300 3.64,304 1,305 1,306 328,307 2,310 38.232,311 93.848,314 66.553,318 1.321,319 11.539,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 38.5,331 151,332 4.506,333 3.063,334 6.326,335 3.997,336 3.048,337 4.447,338 0.86,339 9.723,340 2.924,341 4.152,342 2.872,343 6.037,344 3.702,345 2.756,346 3.783,348 8.731,349 2.585,350 3.734,351 2.624,352 5.296,353 3.295,354 2.379,355 3.173,357 6.768,358 2.17,359 3.318,360 2.045,361 4.814,362 2.822,363 1.932,364 2.62,366 5.351,367 1.697,368 3.026,369 1.557,370 4.477,371 2.46,372 1.53,373 2.285,375 4.44,376 1.408,377 2.866,378 1.497,379 4.275,380 2.377,381 1.416,382 2.026,384 3.882,385 1.348,386 2.5,387 1.012,388 3.414,389 1.959,390 1,391 1.5,393 2.275,394 0.956,395 1.927,396 1,397 3.168,398 1.423,399 0.546,400 0.691,402 1.161,403 0.473,404 1.643,405 0.423,406 2.827,407 1.259,408 0.377,409 0.495,411 0.706,412 0.328,413 0.96,414 -0.176,415 2.461,416 0.529,417 -0.387,418 -0.494,420 -0.844,421 -0.349,422 0.74,423 -0.404,424 2.173,425 0.304,426 -0.613,427 -0.764,428 -1.439,429 -0.555,430 0.532,431 -0.79,432 2,433 0.027,434 -0.919,435 -1.239,436 -2.376,437 -0.853,438 0.5,439 -0.959,440 2,441 -0.025,442 -1,443 -1.433,445 -2.932,446 -0.917,447 0.357,448 -1,449 1.691,450 -0.069,451 -1,452 -1.5,454 -3,455 -0.972,456 -0.31,457 -1.214,458 1.149,459 -0.667,460 -1.558,461 -1.859,463 -4.027,464 -1.349,465 8.867,466 0.493,467 0.414,468 0.023,469 26.75,470 1.486,471 15,472 0.833,473 11.75,474 0.653,475 10.612,476 0.59,477 18.133,478 0.625,479 15.708,480 0.873,481 5.245,482 0.291,483 3.514,484 0.195,485 0.102,487 0.338,493 0.963,494 1.029,495 0.699,496 0.795,497 1.14,498 0.758,499 1.017,500 0.876,501 0.757,502 0.783,503 0.753,504 0.705,505 0.99,506 1.114,507 1.201,508 1.15,509 0.815,510 1.044,511 1.036,512 1.036,513 1.066,514 1.034,515 1.015,516 1.191,517 0.626,518 1.029,519 0.942,520 1.019,521 0.975,522 1.11,523 0.688,524 1.014,525 0.977,526 1.063,527 0.654,528 0.902,529 1.638,530 1.091,531 1.076,532 1.008,533 1.124,534 0.971,535 1.386,536 1.211,537 0.981,538 1.239,539 1.679,540 1.341,541 4,542 0.037,543 2,544 1.104,545 0.711,546 0.559,547 0.292,548 0.156,549 0.104,550 0.076,551 2895,552 8858,553 2.12,554 37.9,556 8,558 1,559 2,564 1.583,565 2,566 3.066,567 0.429,569 1,571 1,573 49.967,574 1.723,575 3.552,576 4.156,577 4.556,578 4.625,579 4.625,580 2.53,581 3.837,582 4.139,583 3.137,584 479.999,585 7.008,586 4429.29,587 1,588 1,590 1,591 140.881,592 1.352,593 4.109,594 0.2,595 0.012,596 0.071,597 0.042,598 0.036,599 0.035,600 0.021,601 0.013,602 0.013,603 0.015,604 0.459,605 0.67,606 1,607 0.816,608 76.158,609 -0.113,611 0.048,612 0.067,613 -0.251,614 0.058,615 0.093,616 0.133,617 0.168,618 0.179,619 0.111,620 0.175,621 -0.169,622 -0.105,623 -0.231,624 -0.154,625 -0.057,626 -0.135,627 -0.217,628 -0.08,629 -0.233,630 -0.139,631 -0.224,632 -0.263,633 -0.004,634 -0.11,635 -0.01,636 -0.065,637 -0.111,638 -0.083,639 0.113,640 -0.102,641 0.186,642 0.028,643 0.211,644 0.196,645 -0.163,646 -0.083,647 -0.111,648 -0.077,649 0.059,650 -0.084,651 -0.024,652 -0.227,653 -0.175,654 -0.42,655 -0.282,656 -0.483,657 1.074,658 1.696,659 0.833,660 11.741,661 1.008,662 1.113,663 2.295,664 5.265,665 0.73,666 3.045,667 3.367,668 3.638,669 3.892,670 4.094,671 4.143,672 4.277,673 4.331,674 4.263,675 4.29,676 4.794,677 0.692,678 257.34,679 3.045,680 4.575,681 5.425,682 6.301,683 7.168,684 8.048,685 8.921,686 9.803,687 10.68,688 11.562,689 10.3,693 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,722 1,729 1,731 29,733 16,734 1,735 20,737 31,738 13,739 12,740 3,741 3,746 3,747 4,761 12,762 1,778 1,781 11,782 4,783 2,784 5,785 1,790 3,794 0.667,795 1,805 1,811 1,812 2,815 1,840 2,842 1,844 1,848 18,849 1,856 1,863 1,870 3.4,875 1,877 9,878 5.567,879 3.972,880 1.522,881 3.131,882 1.478,883 1.028,884 2.878,885 9.684,886 3.367,887 4.039,888 4.688,889 5.329,890 5.883,891 6.22,892 6.71,893 7.142,894 7.35,895 7.722,896 0.833,897 26,898 6.574,900 2.747,901 7.685,902 12.525,904 10.107,905 2.185,906 39.333,907 0.001,910 105.94,911 113.166,912 66.468,914 11,916 31.278,917 81.888,918 116.94,919 66.468,920 10.883,922 80.278,923 45.342,924 29.063,925 5.56,926 125.447,928 105.94,929 148.356,930 11,931 31.278,933 105.94,934 11,937 11.692,938 103.093,939 33.571,940 31.278,941 105.94,942 77.468,943 113.166,946 105.94,947 45.854,948 67.312,950 77.468,951 105.94,952 77.468,953 113.166,955 0.581,956 0.342,957 0.182,958 0.098,959 15,960 6,961 0.065,962 2,963 1,964 1.133,965 3.107,966 130.283,967 0.133,968 15,969 75.059,970 1,974 11.417,975 4.538,976 2.191,977 2.017,978 77.468,979 11.696,980 8.436,983 1.49,984 3.35,986 32.897,987 296.574,988 28,999 29.244,1000 32.285,1001 0.355,1002 0.731,1003 0.855,1004 0.938,1005 0.952,1006 0.952,1007 4.575,1008 0.546,1009 5.407,1010 2.275,1011 4.043,1012 4.723,1013 0.908,1014 6.201,1015 3.906,1016 5.805,1017 0.377,1018 6.954,1019 1.161,1020 3.611,1021 4.559,1023 7.034,1024 3.412,1025 7.122,1026 -0.387,1027 8.593,1028 0.706,1029 5.624,1030 7.02,1031 0.739,1032 10.095,1033 5.38,1034 8.477,1035 -0.613,1036 10.286,1037 -0.844,1038 5.994,1039 7.685,1041 11.738,1042 5.689,1043 9.861,1044 -0.919,1045 12.012,1046 -1.439,1047 7.474,1048 9.598,1049 0.593,1050 14.294,1051 7.143,1052 11.267,1053 -1,1054 13.762,1055 -2.376,1056 8.219,1057 10.668,1059 16.28,1060 7.83,1061 12.689,1062 -1,1063 15.529,1064 -2.932,1065 9.474,1066 12.341,1067 0.469,1068 18.65,1069 9.062,1070 3.048,1071 -1.558,1072 17.308,1073 -3,1074 10.401,1075 13.619,1077 20.786,1078 9.936,1079 2.756,1080 9.723,1081 19.097,1082 -4.027,1083 11.559,1084 15.182,1085 0.366,1086 23.084,1087 11.068,1088 2.379,1089 8.731,1090 20.894,1091 4.447,1092 12.574,1093 16.564,1095 25.286,1096 12.034,1097 1.932,1098 6.768,1099 22.698,1100 3.783,1101 13.692,1102 18.079,1103 0.283,1104 27.558,1105 13.123,1106 1.53,1107 5.351,1108 24.506,1109 3.173,1110 14.75,1111 19.513,1113 29.79,1114 14.136,1115 1.416,1116 4.44,1117 26.319,1118 2.62,1119 15.854,1120 21.009,1121 0.217,1122 32.053,1123 15.207,1124 1,1125 3.882,1126 28.135,1127 2.285,1128 16.932,1129 22.469,1131 34.3,1132 16.244,1133 2825,1134 5040,1135 13.523,1136 21.165,1137 30.142,1138 30.277,1139 30.869,1140 29.94,1141 29.968,1142 42.04,1143 1.72,1144 86.073,1145 27.779,1146 5.158,1147 5.063,1148 5.877,1149 5.094,1150 5.048,1151 7.447,1152 1.72,1153 16.167,1154 4.924,1155 7.405,1156 1.507,1157 1.514,1158 1.543,1159 1.497,1160 1.498,1161 2.102,1162 0.086,1163 4.304,1164 1.389,1165 4.08,1166 4.096,1167 4.319,1168 4.066,1169 5.184,1170 4.03,1171 3.824,1172 3.853,1173 3.841,1174 3.73,1175 4.981,1176 3.724,1177 3.375,1178 3.423,1179 3.441,1180 3.273,1181 4.716,1182 3.237,1183 3.198,1184 3.274,1185 3.056,1186 2.956,1187 4.383,1188 2.952,1189 2.887,1190 2.943,1191 2.85,1192 2.785,1193 4.031,1194 2.764,1195 2.806,1196 2.898,1197 2.65,1198 2.616,1199 3.8,1200 2.612,1201 2.742,1202 2.838,1203 2.602,1204 2.484,1205 3.701,1206 2.501,1207 2.491,1208 2.569,1209 2.325,1210 2.273,1211 3.361,1212 2.277,1213 0.225,1214 0.153,1215 0.316,1216 0.2,1217 0.152,1218 4.506,1219 0.222,1220 3.063,1221 0.043,1222 6.326,1223 0.486,1224 3.997,1225 0.146,1226 3.048,1227 4.447,1228 0.86,1229 9.723,1230 2.924,1231 1.972,1232 1.956,1233 2.036,1234 2.043,1235 1.184,1236 2.046,1237 1.711,1238 1.685,1239 1.805,1240 1.843,1241 0.871,1242 1.835,1243 1.334,1244 1.305,1245 1.563,1246 1.553,1247 0.574,1248 1.554,1249 1.197,1250 1.133,1251 1.371,1252 1.489,1253 0.4,1254 1.514,1255 0.919,1256 0.879,1257 1.123,1258 1.055,1259 0.224,1260 1.082,1261 0.827,1262 0.751,1263 1.074,1264 1.011,1265 0.036,1266 1.057,1267 0.714,1268 0.635,1269 0.932,1270 0.961,1272 0.967,1273 0.451,1274 0.383,1275 0.716,1276 0.719,1278 0.727,1279 3.714,1281 5.03,1282 2.398,1283 6.544,1284 4.727,1285 8.141,1286 6.804,1287 9.782,1289 1.605,1293 5.696,1297 5.043,1305 20.073,1306 49.967,1307 103.007,1308 120.517,1309 132.127,1310 134.127,1311 134.127,1312 17.766,1313 6.553,1314 61.03,1315 89.27,1316 17,1317 12.098,1318 4.087,1319 3.17,1320 25.863,1321 51,1322 56,1323 0.256,1324 128.309,1325 205.5,1326 304.834,1327 5149,1329 12.535,1330 0.696,1331 0.587,1332 12.889,1333 10.569,1334 8.758,1335 0.438,1336 0.312,1337 5.415,1338 7.966,1339 5.188,1340 4.323,1341 9.167,1342 6.242,1343 7.859,1344 0.281,1345 0.175,1346 8.587,1347 4.886,1348 6.726,1349 0.182,1350 0.095,1351 7.412,1352 3.531,1353 5.588,1354 0.116,1355 0.053,1356 6.36,1357 2.567,1358 4.416,1359 0.075,1360 0.028,1361 5.06,1362 1.677,1363 0.393,1364 58.899,1365 0.272,1366 18.04,1367 0.719,1368 96,1369 285.198,1370 130.582,1371 299.65,1372 416.6,1373 282,1374 113,1375 296.415,1376 140.642,1377 319.37,1378 465.91,1379 299,1380 5.444}
{0 CHEMBL1645106,1 1.592,2 6.938,3 2.077,4 4.313,5 66.319,6 9.092,7 0.889,8 3.358,9 3.461,10 3.176,11 3.071,12 4.557,13 3.016,14 3.782,15 3.902,16 3.583,17 3.44,18 4.953,19 3.365,20 3.916,21 4.08,22 3.391,23 3.466,24 4.966,25 3.351,26 3.856,27 4.034,28 3.139,29 3.326,30 4.867,31 3.192,32 3.771,33 3.998,34 2.976,35 3.107,36 4.803,37 2.987,38 3.653,39 3.915,40 2.876,41 2.925,42 4.598,43 2.774,44 3.198,45 3.413,46 2.673,47 2.595,48 4.272,49 2.425,50 2.747,51 2.926,52 2.171,53 2.069,54 3.922,55 1.914,56 0.021,57 0.375,58 3.772,59 1.976,60 6.022,61 2.183,62 0.074,63 0.6,64 7.299,65 3.272,66 8.747,67 3.731,68 0.074,69 0.66,70 11.527,71 4.616,72 9.531,73 4.98,74 0.032,75 0.588,76 9.744,77 4.361,78 8.135,79 5.254,80 0.056,81 0.549,82 8.578,83 3.7,84 13.609,85 4.716,86 0.085,87 0.508,88 9.531,89 3.596,90 13.468,91 4.337,92 0.078,93 0.354,94 7.708,95 2.601,96 8.336,97 2.547,98 0.041,99 0.233,100 5.189,101 1.534,102 5.795,103 1.3,104 2,105 25,106 0.31,107 0.599,108 0.737,109 0.827,110 0.827,111 0.827,112 2.854,113 0.952,114 -2.98,115 -2.98,116 -2.88,119 48,142 5,143 2,145 2,146 1,152 1,162 1,163 1,164 1,165 1,172 6,175 4,177 1,178 1,180 1,183 8,185 1,187 3,195 8,199 3,204 2,207 3,209 2,212 4,217 2,220 1,222 2,224 1,229 1,232 2,234 1,236 1,242 2,247 2,250 1,265 1,266 1,275 230,276 11.016,277 11.016,278 11.016,279 11.016,280 11.016,281 9.166,282 3.162,283 6.594,284 11.393,285 8.926,286 8.926,287 8.926,288 8.926,289 8.926,290 6.203,291 2.5,292 3.177,293 9.548,294 3.052,295 1.57,296 0.864,297 0.4,298 0.4,299 0.4,300 3.533,304 1,305 1,306 245,307 1.581,310 30.908,311 77.993,314 54.107,318 1.078,319 8.294,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 33.5,331 111,332 4.505,333 3.055,334 6.325,335 3.996,336 3.045,337 4.447,339 9.719,340 2.928,341 4.106,342 2.73,343 6.031,344 3.67,345 2.717,346 3.706,348 8.704,349 2.558,350 3.435,351 2.08,352 4.821,353 2.913,354 2,355 2.846,357 5.393,358 1.821,359 3.173,360 1.757,361 4.513,362 2.664,363 1.732,364 2.454,366 4.567,367 1.593,368 3.009,369 1.519,370 4.339,371 2.45,372 1.516,373 2.255,375 4.141,376 1.399,377 2.632,378 1.147,379 3.507,380 2.094,381 1.143,382 1.695,384 2.686,385 1.082,386 2.5,387 1,388 3.247,389 1.984,390 1,391 1.5,393 2.136,394 0.983,395 1.902,396 0.41,397 3.154,398 1.305,399 0.41,400 0.61,402 1.074,403 0.36,404 0.954,405 -0.347,406 2.539,407 0.518,408 -0.439,409 -0.577,411 -1.122,412 -0.414,413 0.709,414 -0.596,415 2.178,416 0.239,417 -0.677,418 -0.87,420 -1.614,421 -0.612,422 0.5,423 -0.945,424 2,425 -0.035,426 -1,427 -1.408,428 -2.347,429 -0.929,430 0.5,431 -1,432 1.684,433 -0.049,434 -1,435 -1.5,436 -2.498,437 -0.946,438 0.355,439 -1,440 1.555,441 -0.056,442 -1,443 -1.5,445 -2.932,446 -0.965,447 -0.324,448 -1.709,449 1.124,450 -0.789,451 -1.732,452 -2.271,454 -4.789,455 -1.397,456 -0.332,457 -1.74,458 1.064,459 -0.876,460 -1.752,461 -2.534,463 -5.173,464 -1.637,465 8.033,466 0.502,467 0.346,468 0.022,469 24.75,470 1.547,471 14.5,472 0.906,473 10.25,474 0.641,475 8.617,476 0.539,477 15.367,478 0.615,479 13.382,480 0.836,481 4.762,482 0.298,483 3.064,484 0.192,485 0.05,487 0.311,493 1.016,494 0.915,495 0.692,496 0.683,497 1.19,498 0.68,499 0.684,500 0.974,501 0.776,502 0.907,503 0.637,504 0.824,505 1.053,506 0.945,507 1.233,508 1.108,509 0.869,510 1.034,511 0.675,512 1.145,513 1.073,514 1.227,515 0.684,516 1.286,517 0.905,518 1.035,519 0.699,520 0.861,521 1.083,522 1.05,523 1.168,524 0.855,525 0.764,526 0.719,527 1.022,528 0.842,529 1.328,530 1.017,531 1.609,532 1.282,533 0.993,534 1.02,535 1.786,536 1.948,537 2.213,538 2.151,539 2.213,540 1.639,541 3,543 1.556,544 1.042,545 0.479,546 0.386,547 0.212,548 0.109,549 0.037,550 0.016,551 2077,552 6154,553 2.174,554 36,556 5,558 2,559 2,564 1.549,565 2.087,566 2.845,567 0.451,571 1,573 39.793,574 1.592,575 3.073,576 3.779,577 4.244,578 4.244,579 4.244,580 2.281,581 3.5,582 3.974,583 2.889,584 346.721,585 6.683,586 2907.23,588 1,590 1,591 116.096,592 1.198,593 3.954,594 0.167,596 0.062,597 0.047,598 0.028,599 0.028,600 0.019,601 0.014,602 0.009,603 0.016,604 0.39,605 0.83,606 1,607 0.5,608 63.653,609 -0.16,610 0.071,611 0.039,612 0.123,613 -0.281,614 0.091,615 0.178,616 0.007,617 0.108,618 -0.003,619 0.094,620 0.008,621 -0.225,622 0.009,623 -0.239,624 -0.116,625 -0.135,626 -0.105,627 -0.033,628 -0.292,629 -0.226,630 -0.317,632 -0.32,633 -0.017,634 -0.152,635 0.046,636 -0.032,637 -0.069,638 -0.059,639 -0.07,640 0.096,641 0.21,642 0.252,643 -0.009,644 0.225,645 0.017,646 0.095,647 -0.128,648 -0.012,649 0.179,650 0.009,651 -0.254,652 -0.775,653 -0.604,654 -0.842,655 -0.373,656 -0.694,657 1.054,658 1.677,659 0.938,660 8.594,661 1.001,662 1.106,663 1.751,664 3.065,665 0.758,666 2.944,667 3.258,668 3.526,669 3.807,670 3.989,671 3.97,672 4.127,673 4.19,674 4.007,675 3.892,676 4.146,677 0.713,678 227.31,679 2.944,680 4.466,681 5.313,682 6.188,683 7.054,684 7.933,685 8.806,686 9.687,687 10.564,688 11.446,689 12,693 1,699 2,703 2,704 7,705 2,708 1,709 3,711 16,722 1,731 25,733 16,734 1,735 18,737 27,738 12,739 12,740 3,741 3,746 3,747 4,761 12,778 1,781 9,782 3,783 2,784 4,785 1,790 3,794 0.667,805 1,811 1,812 2,815 1,840 2,842 1,848 16,849 1,863 1,877 7.667,878 4.483,879 3.472,880 1.358,881 3.114,882 1.494,883 1.064,884 2.241,885 9.42,886 3.296,887 3.966,888 4.616,889 5.273,890 5.815,891 6.11,892 6.626,893 7.061,894 7.183,895 7.464,896 0.8,897 22,898 5.847,900 2.473,901 7.635,902 11.216,904 9.229,905 2.135,906 34.167,907 0.003,910 82.398,911 106.516,912 66.468,916 31.278,917 75.238,918 82.398,919 66.468,922 80.278,923 57.113,924 27.111,925 0.746,926 90.133,928 82.398,929 141.706,931 31.278,933 82.398,937 20.74,938 87.395,939 33.571,940 31.278,941 82.398,942 66.468,943 106.516,946 82.398,947 41.04,948 65.476,950 66.468,951 82.398,952 66.468,953 106.516,955 0.578,956 0.334,957 0.189,958 0.102,959 14,960 5,961 0.037,962 1,963 1,964 1.133,965 2.933,966 111.683,967 0.133,968 15,969 60,970 1,974 9.58,975 3.742,976 1.766,977 2.076,978 66.468,979 13.726,980 8.284,983 1.51,984 2.894,986 32.897,987 255.382,988 26,999 25.033,1000 27.661,1001 0.343,1002 0.662,1003 0.814,1004 0.914,1005 0.914,1006 0.914,1007 4.489,1008 0.41,1009 5.283,1010 2.136,1011 3.932,1012 4.649,1014 6.071,1015 3.815,1016 5.714,1017 -0.439,1018 6.819,1019 1.074,1020 3.434,1021 4.407,1023 6.88,1024 3.258,1025 7.022,1026 -0.677,1027 8.454,1028 -1.122,1029 5.493,1030 6.94,1032 9.983,1033 5.284,1034 8.371,1035 -1,1036 10.148,1037 -1.614,1038 5.832,1039 7.567,1041 11.643,1042 5.566,1043 9.751,1044 -1,1045 11.88,1046 -2.347,1047 7.347,1048 9.523,1050 14.219,1051 7.06,1052 11.156,1053 -1,1054 13.638,1055 -2.498,1056 8.086,1057 10.583,1059 16.223,1060 7.745,1061 12.58,1062 -1.732,1063 15.414,1064 -2.932,1065 9.362,1066 12.278,1068 18.602,1069 9,1070 3.045,1071 -1.752,1072 17.204,1073 -4.789,1074 10.293,1075 13.555,1077 20.75,1078 9.88,1079 2.717,1080 9.719,1081 19.004,1082 -5.173,1083 11.464,1084 15.131,1086 23.053,1087 11.025,1088 2,1089 8.704,1090 20.811,1091 4.447,1092 12.484,1093 16.516,1095 25.262,1096 11.999,1097 1.732,1098 5.393,1099 22.624,1100 3.706,1101 13.611,1102 18.039,1104 27.536,1105 13.096,1106 1.516,1107 4.567,1108 24.441,1109 2.846,1110 14.673,1111 19.476,1113 29.771,1114 14.115,1115 1.143,1116 4.141,1117 26.261,1118 2.454,1119 15.783,1120 20.977,1122 32.035,1123 15.192,1124 1,1125 2.686,1126 28.084,1127 2.255,1128 16.866,1129 22.44,1131 34.284,1132 16.235,1133 2005,1134 3540,1135 12.425,1136 18.949,1137 27.409,1138 27.041,1139 27.43,1140 27.128,1141 27.125,1142 39.026,1144 76.839,1145 25.444,1146 5.127,1147 5.055,1148 6.127,1149 5.089,1150 5.045,1151 7.447,1153 16.159,1154 4.928,1155 4.649,1156 1.523,1157 1.502,1158 1.524,1159 1.507,1160 1.507,1161 2.168,1163 4.269,1164 1.414,1165 4.079,1166 4.096,1167 4.318,1168 4.065,1169 5.183,1170 4.03,1171 3.807,1172 3.844,1173 3.826,1174 3.734,1175 4.916,1176 3.717,1177 3.334,1178 3.394,1179 3.4,1180 3.242,1181 4.694,1182 3.203,1183 2.896,1184 2.949,1185 2.878,1186 2.796,1187 4.104,1188 2.779,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.794,1194 2.715,1195 2.798,1196 2.907,1197 2.66,1198 2.541,1199 3.674,1200 2.554,1201 2.474,1202 2.557,1203 2.477,1204 2.266,1205 3.438,1206 2.256,1207 1.966,1208 2.088,1209 2.037,1210 1.776,1211 2.961,1212 1.674,1213 0.25,1214 0.17,1215 0.351,1216 0.222,1217 0.169,1218 4.505,1219 0.247,1220 3.055,1222 6.325,1223 0.54,1224 3.996,1225 0.163,1226 3.045,1227 4.447,1229 9.719,1230 2.928,1231 1.976,1232 1.958,1233 2.046,1234 2.043,1235 1.186,1236 2.05,1237 1.708,1238 1.678,1239 1.806,1240 1.821,1241 0.873,1242 1.825,1243 1.332,1244 1.3,1245 1.381,1246 1.551,1247 0.378,1248 1.553,1249 0.913,1250 0.883,1251 1.181,1252 1.068,1253 0.218,1254 1.107,1255 0.886,1256 0.821,1257 1.119,1258 1.062,1259 0.168,1260 1.089,1261 0.817,1262 0.741,1263 0.979,1264 1.01,1265 0.022,1266 1.029,1267 0.432,1268 0.349,1269 0.703,1270 0.643,1272 0.701,1273 0.224,1274 0.089,1275 0.457,1276 0.548,1278 0.592,1279 3.611,1281 4.92,1282 2.398,1283 6.428,1284 4.727,1285 8.023,1286 6.804,1287 9.662,1293 5.677,1305 17.832,1306 39.793,1307 76.835,1308 94.487,1309 106.096,1310 106.096,1311 106.096,1312 14.332,1313 6.306,1314 51.8,1315 80.04,1316 17,1317 11.981,1318 4.087,1319 3.17,1320 21.835,1321 40,1322 34,1323 0.283,1324 114.72,1325 179.41,1326 271.678,1327 3751,1329 10.958,1330 0.685,1331 0.577,1332 11.311,1333 9.238,1334 7.826,1335 0.435,1336 0.317,1337 4.922,1338 7.176,1339 4.74,1340 3.931,1341 8.235,1342 5.709,1343 7.068,1344 0.283,1345 0.181,1346 7.796,1347 4.533,1348 5.907,1349 0.179,1350 0.099,1351 6.612,1352 3.283,1353 5.126,1354 0.116,1355 0.054,1356 5.849,1357 2.384,1358 4.082,1359 0.077,1360 0.029,1361 4.696,1362 1.558,1363 0.425,1364 52.238,1365 0.284,1366 16.007,1367 0.824,1368 86,1369 229.463,1370 117.259,1371 253.179,1372 355.17,1373 238,1374 101,1375 253.518,1376 125.485,1377 276.582,1378 403.4,1379 261,1380 4.991}
{0 CHEMBL1645107,1 1.592,2 6.938,3 2.077,4 4.313,5 66.319,6 9.092,7 0.889,8 3.358,9 3.461,10 3.176,11 3.071,12 4.557,13 3.016,14 3.782,15 3.902,16 3.583,17 3.44,18 4.953,19 3.365,20 3.916,21 4.08,22 3.391,23 3.466,24 4.968,25 3.351,26 3.856,27 4.036,28 3.197,29 3.349,30 4.858,31 3.205,32 3.767,33 3.983,34 3.056,35 3.168,36 4.77,37 3.014,38 3.649,39 3.897,40 2.89,41 2.966,42 4.575,43 2.788,44 3.201,45 3.422,46 2.582,47 2.484,48 4.288,49 2.377,50 2.763,51 2.997,52 1.911,53 1.872,54 4.031,55 1.829,56 0.021,57 0.375,58 3.772,59 1.976,60 6.022,61 2.183,62 0.074,63 0.6,64 7.299,65 3.272,66 8.747,67 3.731,68 0.074,69 0.66,70 11.527,71 4.616,72 9.78,73 4.98,74 0.037,75 0.588,76 9.098,77 4.258,78 8.664,79 5.184,80 0.051,81 0.549,82 9.955,83 4.169,84 12.193,85 5.032,86 0.075,87 0.508,88 11.555,89 4.167,90 11.772,91 4.723,92 0.065,93 0.354,94 7.593,95 2.335,96 7.488,97 2.32,98 0.064,99 0.232,100 2.549,101 0.863,102 8.977,103 0.895,104 2,105 25,106 0.31,107 0.599,108 0.737,109 0.827,110 0.827,111 0.827,112 2.854,113 0.952,114 -2.98,115 -2.98,116 -2.88,119 48,142 5,143 2,145 2,146 1,152 1,162 1,163 1,164 1,165 1,172 6,175 4,177 1,178 1,180 1,183 8,185 1,187 3,195 8,199 2,204 2,207 4,209 2,212 3,217 2,220 2,222 2,224 3,229 1,234 1,237 1,242 2,247 2,249 1,265 1,266 1,275 230,276 11.016,277 11.016,278 11.016,279 11.016,280 11.016,281 9.166,282 3.162,283 6.594,284 11.393,285 8.926,286 8.926,287 8.926,288 8.926,289 8.926,290 6.203,291 2.5,292 3.177,293 9.545,294 3.052,295 1.57,296 0.864,297 0.4,298 0.4,299 0.4,300 3.533,304 1,305 1,306 245,307 1.581,310 30.908,311 77.993,314 54.107,318 1.078,319 8.157,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 33.5,331 111,332 4.505,333 3.055,334 6.325,335 3.994,336 3.045,337 4.447,339 9.719,340 2.922,341 4.106,342 2.73,343 6.031,344 3.674,345 2.717,346 3.706,348 8.704,349 2.57,350 3.435,351 2.08,352 4.821,353 2.914,354 2,355 2.846,357 5.393,358 1.826,359 3.173,360 1.757,361 4.513,362 2.662,363 1.732,364 2.454,366 4.567,367 1.582,368 3.009,369 1.519,370 4.339,371 2.443,372 1.516,373 2.255,375 4.141,376 1.389,377 2.632,378 1.147,379 3.507,380 2.097,381 1.143,382 1.695,384 2.686,385 1.086,386 2.5,387 1,388 3.247,389 1.984,390 1,391 1.5,393 2.136,394 0.983,395 1.902,396 0.41,397 3.154,398 1.314,399 0.41,400 0.61,402 1.074,403 0.364,404 0.954,405 -0.347,406 2.539,407 0.493,408 -0.439,409 -0.577,411 -1.122,412 -0.4,413 0.709,414 -0.596,415 2.178,416 0.266,417 -0.677,418 -0.87,420 -1.614,421 -0.638,422 0.5,423 -0.945,424 2,425 -0.029,426 -1,427 -1.408,428 -2.347,429 -0.901,430 0.5,431 -1,432 1.684,433 -0.049,434 -1,435 -1.5,436 -2.498,437 -0.946,438 0.355,439 -1,440 1.555,441 -0.072,442 -1,443 -1.5,445 -2.932,446 -0.971,447 -0.324,448 -1.709,449 1.124,450 -0.78,451 -1.732,452 -2.271,454 -4.789,455 -1.426,456 -0.332,457 -1.74,458 1.064,459 -0.882,460 -1.752,461 -2.534,463 -5.173,464 -1.617,465 8.033,466 0.502,467 0.346,468 0.022,469 24.75,470 1.547,471 14.5,472 0.906,473 10.25,474 0.641,475 8.657,476 0.541,477 15.367,478 0.615,479 13.341,480 0.834,481 4.762,482 0.298,483 3.064,484 0.192,485 0.05,487 0.311,493 1.016,494 0.915,495 0.692,496 0.683,497 1.19,498 0.68,499 0.684,500 0.974,501 0.776,502 0.907,503 0.637,504 0.824,505 1.053,506 0.945,507 1.233,508 1.108,509 0.856,510 1.034,511 0.697,512 1.037,513 0.995,514 1.113,515 0.728,516 1.233,517 0.783,518 1.034,519 0.957,520 1.041,521 1.012,522 1.103,523 1.004,524 0.986,525 1.153,526 1.064,527 0.87,528 0.968,529 1.543,530 1.437,531 1.418,532 1.372,533 1.119,534 1.06,535 2.18,536 1.269,537 0.939,538 0.898,539 2.541,540 1.244,541 3,543 1.556,544 1.042,545 0.479,546 0.386,547 0.212,548 0.109,549 0.037,550 0.016,551 2077,552 6132,553 2.174,554 36,556 5,558 2,559 2,564 1.549,565 2.087,566 2.845,567 0.451,571 1,573 39.793,574 1.592,575 3.073,576 3.779,577 4.244,578 4.244,579 4.244,580 2.281,581 3.5,582 3.974,583 2.889,584 346.721,585 6.683,586 2907.23,588 1,590 1,591 116.096,592 1.198,593 3.954,594 0.167,596 0.062,597 0.047,598 0.028,599 0.028,600 0.019,601 0.014,602 0.009,603 0.016,604 0.39,605 0.83,606 1,607 0.5,608 63.653,609 -0.16,610 0.071,611 0.039,612 0.123,613 -0.281,614 0.091,615 0.178,616 0.007,617 0.108,618 -0.003,619 0.094,620 0.008,621 -0.225,622 0.009,623 -0.239,624 -0.116,625 -0.12,626 -0.105,627 -0.056,628 -0.18,629 -0.144,630 -0.198,631 -0.045,632 -0.265,633 0.009,634 -0.149,635 0.004,636 -0.06,637 -0.063,638 -0.072,639 -0.013,640 -0.039,641 0.061,642 0.072,643 0.073,644 0.142,645 -0.113,646 -0.343,647 -0.142,648 -0.254,649 0.112,650 -0.072,651 -0.201,652 -0.073,653 -0.323,654 -0.269,655 -0.4,656 -0.478,657 1.054,658 1.677,659 0.938,660 8.594,661 1.001,662 1.106,663 1.751,664 3.065,665 0.758,666 2.944,667 3.258,668 3.526,669 3.807,670 3.989,671 3.97,672 4.127,673 4.19,674 4.007,675 3.892,676 4.146,677 0.713,678 227.31,679 2.944,680 4.466,681 5.313,682 6.188,683 7.054,684 7.933,685 8.806,686 9.687,687 10.564,688 11.446,689 12,693 1,699 2,703 2,704 7,705 2,708 1,709 3,711 16,722 1,731 25,733 16,734 1,735 18,737 27,738 12,739 12,740 3,741 3,746 3,747 4,761 12,778 1,781 9,782 3,783 2,784 4,785 1,790 3,794 0.667,805 1,811 1,812 2,815 1,840 2,842 1,848 16,849 1,863 1,877 7.667,878 4.483,879 3.472,880 1.358,881 3.114,882 1.494,883 1.064,884 2.241,885 9.42,886 3.296,887 3.966,888 4.616,889 5.273,890 5.815,891 6.11,892 6.626,893 7.061,894 7.183,895 7.464,896 0.8,897 22,898 5.846,900 2.472,901 7.635,902 11.216,904 9.229,905 2.135,906 34.167,907 0.003,910 82.398,911 106.516,912 66.468,916 31.278,917 75.238,918 82.398,919 66.468,922 80.278,923 57.113,924 27.111,925 0.746,926 90.133,928 82.398,929 141.706,931 31.278,933 82.398,937 20.74,938 87.395,939 33.571,940 31.278,941 82.398,942 66.468,943 106.516,946 82.398,947 41.04,948 65.476,950 66.468,951 82.398,952 66.468,953 106.516,955 0.578,956 0.334,957 0.189,958 0.102,959 14,960 5,961 0.037,962 1,963 1,964 1.133,965 2.933,966 111.683,967 0.133,968 15,969 60,970 1,974 9.58,975 3.742,976 1.766,977 2.076,978 66.468,979 13.728,980 8.239,983 1.512,984 2.935,986 32.897,987 255.382,988 26,999 25.033,1000 27.661,1001 0.343,1002 0.662,1003 0.814,1004 0.914,1005 0.914,1006 0.914,1007 4.489,1008 0.41,1009 5.283,1010 2.136,1011 3.932,1012 4.649,1014 6.071,1015 3.815,1016 5.714,1017 -0.439,1018 6.819,1019 1.074,1020 3.434,1021 4.407,1023 6.88,1024 3.258,1025 7.022,1026 -0.677,1027 8.454,1028 -1.122,1029 5.493,1030 6.94,1032 9.983,1033 5.284,1034 8.371,1035 -1,1036 10.148,1037 -1.614,1038 5.832,1039 7.567,1041 11.643,1042 5.566,1043 9.751,1044 -1,1045 11.88,1046 -2.347,1047 7.347,1048 9.523,1050 14.219,1051 7.059,1052 11.156,1053 -1,1054 13.638,1055 -2.498,1056 8.086,1057 10.583,1059 16.223,1060 7.743,1061 12.58,1062 -1.732,1063 15.414,1064 -2.932,1065 9.362,1066 12.278,1068 18.602,1069 8.996,1070 3.045,1071 -1.752,1072 17.204,1073 -4.789,1074 10.293,1075 13.555,1077 20.75,1078 9.874,1079 2.717,1080 9.719,1081 19.004,1082 -5.173,1083 11.464,1084 15.131,1086 23.053,1087 11.017,1088 2,1089 8.704,1090 20.811,1091 4.447,1092 12.484,1093 16.516,1095 25.262,1096 11.988,1097 1.732,1098 5.393,1099 22.624,1100 3.706,1101 13.611,1102 18.039,1104 27.536,1105 13.083,1106 1.516,1107 4.567,1108 24.441,1109 2.846,1110 14.673,1111 19.476,1113 29.771,1114 14.099,1115 1.143,1116 4.141,1117 26.261,1118 2.454,1119 15.783,1120 20.977,1122 32.035,1123 15.174,1124 1,1125 2.686,1126 28.084,1127 2.255,1128 16.866,1129 22.44,1131 34.284,1132 16.213,1133 2005,1134 3534,1135 12.425,1136 18.949,1137 27.409,1138 27.041,1139 27.43,1140 27.141,1141 27.125,1142 39.026,1144 76.839,1145 25.444,1146 5.127,1147 5.055,1148 6.127,1149 5.088,1150 5.045,1151 7.447,1153 16.159,1154 4.922,1155 4.649,1156 1.523,1157 1.502,1158 1.524,1159 1.508,1160 1.507,1161 2.168,1163 4.269,1164 1.414,1165 4.079,1166 4.096,1167 4.319,1168 4.067,1169 5.183,1170 4.03,1171 3.807,1172 3.845,1173 3.82,1174 3.729,1175 4.916,1176 3.715,1177 3.333,1178 3.392,1179 3.409,1180 3.25,1181 4.696,1182 3.206,1183 2.896,1184 2.952,1185 2.895,1186 2.801,1187 4.101,1188 2.783,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.723,1194 2.715,1195 2.796,1196 2.897,1197 2.669,1198 2.533,1199 3.674,1200 2.552,1201 2.478,1202 2.575,1203 2.331,1204 2.228,1205 3.571,1206 2.241,1207 1.958,1208 2.061,1209 2.213,1210 1.866,1211 2.814,1212 1.723,1213 0.25,1214 0.17,1215 0.351,1216 0.222,1217 0.169,1218 4.505,1219 0.247,1220 3.055,1222 6.325,1223 0.54,1224 3.994,1225 0.162,1226 3.045,1227 4.447,1229 9.719,1230 2.922,1231 1.976,1232 1.959,1233 2.045,1234 2.042,1235 1.188,1236 2.049,1237 1.708,1238 1.675,1239 1.81,1240 1.827,1241 0.867,1242 1.828,1243 1.333,1244 1.305,1245 1.371,1246 1.544,1247 0.399,1248 1.55,1249 0.912,1250 0.883,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 0.886,1256 0.821,1257 1.109,1258 1.059,1259 0.134,1260 1.078,1261 0.817,1262 0.739,1263 0.99,1264 1.004,1265 0.032,1266 1.037,1267 0.428,1268 0.337,1269 0.739,1270 0.727,1272 0.739,1273 0.228,1274 0.104,1275 0.41,1276 0.469,1278 0.553,1279 3.611,1281 4.92,1282 2.398,1283 6.428,1284 4.727,1285 8.023,1286 6.804,1287 9.662,1293 5.677,1305 17.832,1306 39.793,1307 76.835,1308 94.487,1309 106.096,1310 106.096,1311 106.096,1312 14.284,1313 6.306,1314 51.8,1315 80.04,1316 17,1317 11.981,1318 4.087,1319 3.17,1320 21.835,1321 40,1322 34,1323 0.283,1324 114.72,1325 179.41,1326 271.678,1327 3751,1329 10.958,1330 0.685,1331 0.577,1332 11.311,1333 9.238,1334 7.826,1335 0.435,1336 0.317,1337 4.922,1338 7.176,1339 4.74,1340 3.931,1341 8.235,1342 5.709,1343 7.068,1344 0.283,1345 0.181,1346 7.796,1347 4.533,1348 5.907,1349 0.179,1350 0.099,1351 6.593,1352 3.266,1353 5.126,1354 0.116,1355 0.055,1356 5.898,1357 2.44,1358 4.082,1359 0.077,1360 0.03,1361 4.726,1362 1.59,1363 0.425,1364 52.238,1365 0.284,1366 16.007,1367 0.824,1368 86,1369 229.463,1370 117.259,1371 253.179,1372 355.17,1373 238,1374 101,1375 253.518,1376 125.485,1377 276.582,1378 403.41,1379 261,1380 4.886}
{0 CHEMBL1645108,1 1.669,2 7.059,3 2.96,4 8.761,5 70.17,6 8.975,7 0.842,8 3.434,9 3.525,10 3.222,11 3.133,12 4.663,13 3.082,14 3.847,15 3.949,16 3.647,17 3.512,18 5.071,19 3.442,20 4.039,21 4.188,22 3.483,23 3.547,24 5.176,25 3.441,26 4,27 4.186,28 3.303,29 3.426,30 5.063,31 3.295,32 3.867,33 4.064,34 3.168,35 3.257,36 4.966,37 3.124,38 3.783,39 3.994,40 3.029,41 3.105,42 4.846,43 2.951,44 3.483,45 3.698,46 2.871,47 2.738,48 4.611,49 2.625,50 3.092,51 3.293,52 2.275,53 2.255,54 4.415,55 2.168,56 0.048,57 0.371,58 4.385,59 2.303,60 9.635,61 2.421,62 0.062,63 0.588,64 7.706,65 3.766,66 8.047,67 4.341,68 0.11,69 0.694,70 12.821,71 5.348,72 17.339,73 5.644,74 0.084,75 0.65,76 11.4,77 5.114,78 15.411,79 6.066,80 0.086,81 0.575,82 10.81,83 4.592,84 17.118,85 5.351,86 0.108,87 0.532,88 12.213,89 4.689,90 19.049,91 5.155,92 0.104,93 0.412,94 9.348,95 3.272,96 13.194,97 3.405,98 0.103,99 0.294,100 6.212,101 1.976,102 13.392,103 1.934,104 5,105 27,106 0.32,107 0.605,108 0.73,109 0.884,110 0.899,111 0.899,112 2.909,113 0.946,114 -3.91,115 -3.87,116 -3.67,119 48.1,142 7,143 2,144 1,146 1,152 1,162 1,163 1,164 1,165 1,172 8,175 2,177 1,178 1,180 3,183 11,185 1,187 2,192 2,195 11,199 1,204 4,207 7,209 2,212 1,217 4,220 5,222 2,224 2,229 2,232 2,234 1,237 1,242 3,245 1,247 2,250 1,253 1,255 1,260 1,267 1,268 1,270 1,273 1,275 282,276 11.464,277 11.464,278 11.464,279 11.464,280 11.464,281 9.589,282 5.319,283 6.716,284 11.807,285 9.409,286 9.409,287 9.409,288 9.409,289 9.409,290 6.614,291 3.663,292 3.233,293 10.006,294 3.086,295 1.604,296 0.95,297 0.148,298 0.074,299 0.074,300 3.586,304 1,305 1,306 262,307 1.732,310 33.818,311 84.747,314 58.86,318 1.128,319 12.77,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 36,331 120,332 4.507,333 3.065,334 6.331,335 4.003,336 3.051,337 4.448,339 9.741,340 2.938,341 4.164,342 2.824,343 6.052,344 3.718,345 2.766,346 3.801,348 8.801,349 2.607,350 3.64,351 2.432,352 5.052,353 3.2,354 2.248,355 3.082,357 6.106,358 2.133,359 3.284,360 2.019,361 4.799,362 2.797,363 1.903,364 2.574,366 5.28,367 1.675,368 3.02,369 1.531,370 4.45,371 2.454,372 1.524,373 2.276,375 4.382,376 1.402,377 2.85,378 1.458,379 4.19,380 2.366,381 1.391,382 2.005,384 3.687,385 1.346,386 2.59,387 1.105,388 3.473,389 2.095,390 1.099,391 1.634,393 2.522,394 1.093,395 1.903,396 0.411,397 3.162,398 1.317,399 0.411,400 0.611,402 1.081,403 0.365,404 0.992,405 -0.057,406 2.625,407 0.561,408 -0.38,409 -0.491,411 -0.866,412 -0.352,413 0.876,414 -0.349,415 2.209,416 0.445,417 -0.476,418 -0.606,420 -1.246,421 -0.429,422 0.687,423 -0.609,424 2,425 0.253,426 -0.697,427 -0.893,428 -1.852,429 -0.662,430 0.5,431 -0.946,432 2,433 -0.021,434 -1,435 -1.41,436 -2.672,437 -0.902,438 0.356,439 -1,440 1.784,441 -0.071,442 -1,443 -1.5,445 -2.933,446 -0.98,447 -0.073,448 -1.203,449 1.472,450 -0.436,451 -1.37,452 -1.84,454 -3.407,455 -1.285,456 -0.33,457 -1.71,458 1.116,459 -0.799,460 -1.743,461 -2.304,463 -5.173,464 -1.43,465 8.467,466 0.498,467 0.452,468 0.027,469 25.5,470 1.5,471 15,472 0.882,473 10.5,474 0.618,475 9.735,476 0.573,477 16.733,478 0.62,479 14.779,480 0.869,481 4.921,482 0.289,483 3.299,484 0.194,485 0.087,487 0.354,493 1.052,494 0.774,495 0.724,496 0.632,497 1.149,498 0.651,499 0.511,500 1.017,501 0.74,502 0.962,503 0.507,504 0.865,505 1.067,506 1.023,507 1.213,508 1.119,509 0.978,510 1.069,511 0.792,512 1.014,513 0.937,514 1.023,515 0.763,516 1.125,517 0.887,518 1.001,519 0.956,520 1.004,521 0.933,522 1.067,523 1.131,524 1.014,525 1.162,526 1.099,527 1.14,528 1.043,529 1.22,530 1.156,531 1.037,532 1.118,533 1.188,534 0.953,535 1.366,536 1.419,537 1.553,538 1.43,539 1.419,540 1.272,541 4,543 1.778,544 1.229,545 0.751,546 0.441,547 0.273,548 0.159,549 0.093,550 0.016,551 2400,552 7335,553 2.127,554 37,556 7,559 3,564 1.569,565 2,566 2.879,567 1.193,571 1,573 45.057,574 1.669,575 3.151,576 3.805,577 4.607,578 4.681,579 4.681,580 2.307,581 3.852,582 4.062,583 2.95,584 401.218,585 6.863,586 3534.27,587 1,588 1,590 1,591 128.382,592 1.379,593 4.023,594 0.211,596 0.066,597 0.051,598 0.04,599 0.028,600 0.021,601 0.016,602 0.015,603 0.008,604 0.455,605 0.83,606 1,607 0.604,608 69.475,609 -0.199,610 0.211,611 0.015,612 0.202,613 -0.283,614 0.139,615 0.153,616 -0.061,617 0.125,618 -0.047,619 0.104,620 -0.015,621 -0.179,622 -0.068,623 -0.243,624 -0.14,625 -0.128,626 -0.147,627 -0.046,628 -0.12,629 -0.074,630 -0.107,631 -0.019,632 -0.146,633 -0.047,634 -0.086,635 -0.02,636 -0.048,637 -0.037,638 -0.066,639 -0.078,640 -0.085,641 -0.023,642 -0.016,643 -0.067,644 0.014,645 0.02,646 -0.138,647 0.141,648 -0.046,649 -0.001,650 0.072,651 0.121,652 -0.267,653 -0.407,654 -0.424,655 0.052,656 -0.358,657 1.397,658 3.462,659 0.882,660 9.633,661 1.005,662 1.103,663 2.682,664 7.195,665 0.747,666 2.996,667 3.332,668 3.584,669 3.871,670 4.06,671 4.06,672 4.205,673 4.29,674 4.174,675 4.094,676 4.331,677 0.706,678 242.32,679 2.996,680 4.533,681 5.38,682 6.263,683 7.128,684 8.014,685 8.887,686 9.772,687 10.649,688 11.534,689 7.4,693 1,699 1,703 2,704 7,705 1,708 1,709 4,711 16,722 1,728 1,731 27,733 16,734 2,735 19,737 29,738 13,739 13,740 5,741 7,746 3,747 4,761 13,778 1,781 10,782 3,783 3,784 4,785 1,790 2,794 0.667,795 1,811 1,812 2,815 1,840 2,842 1,848 17,849 1,853 1,863 1,870 3.7,872 1,877 8.5,878 4.733,879 3.639,880 1.442,881 3.135,882 1.487,883 1.022,884 2.481,885 9.571,886 3.332,887 4.021,888 4.66,889 5.318,890 5.864,891 6.175,892 6.675,893 7.127,894 7.301,895 7.605,896 0.8,897 24,898 6.225,900 2.674,901 7.784,902 11.821,904 9.824,905 2.284,906 38.833,907 0.002,910 82.398,911 107.373,912 49.683,914 42.683,916 31.278,917 76.096,918 125.081,919 49.683,922 99.231,923 59.469,924 9.016,925 0.746,926 113.675,928 82.398,929 125.778,930 42.683,931 31.278,933 82.398,934 42.683,937 2.645,938 106.348,939 16.786,940 31.278,941 82.398,942 92.366,943 107.373,946 82.398,947 41.04,948 66.334,950 92.366,951 82.398,952 92.366,953 107.373,955 0.587,956 0.334,957 0.186,958 0.102,959 15,960 6,961 0.034,962 1,963 1,964 1.133,965 2.986,966 122.044,967 0.133,968 15,969 69.487,970 1,974 10.538,975 4.002,976 1.981,977 1.972,978 92.366,979 13.162,980 4.212,983 1.469,984 2.885,986 75.581,987 282.137,988 27,999 27.142,1000 29.787,1001 0.351,1002 0.663,1003 0.8,1004 0.969,1005 0.984,1006 0.984,1007 4.543,1008 0.411,1009 5.371,1010 2.522,1011 4.007,1012 4.705,1014 6.168,1015 3.899,1016 5.784,1017 -0.38,1018 6.917,1019 1.081,1020 3.611,1021 4.559,1023 6.986,1024 3.428,1025 7.103,1026 -0.476,1027 8.556,1028 -0.866,1029 5.587,1030 7.007,1032 10.072,1033 5.391,1034 8.459,1035 -0.697,1036 10.249,1037 -1.246,1038 5.969,1039 7.674,1041 11.708,1042 5.698,1043 9.843,1044 -1,1045 11.976,1046 -1.852,1047 7.441,1048 9.589,1050 14.287,1051 7.168,1052 11.249,1053 -1,1054 13.727,1055 -2.672,1056 8.196,1057 10.663,1059 16.275,1060 7.854,1061 12.672,1062 -1.37,1063 15.496,1064 -2.933,1065 9.451,1066 12.338,1068 18.659,1069 9.101,1070 3.051,1071 -1.743,1072 17.279,1073 -3.407,1074 10.386,1075 13.619,1077 20.799,1078 9.975,1079 2.766,1080 9.741,1081 19.072,1082 -5.173,1083 11.547,1084 15.183,1086 23.106,1087 11.119,1088 2.248,1089 8.801,1090 20.873,1091 4.448,1092 12.569,1093 16.567,1095 25.312,1096 12.088,1097 1.903,1098 6.106,1099 22.68,1100 3.801,1101 13.691,1102 18.083,1104 27.589,1105 13.186,1106 1.524,1107 5.28,1108 24.493,1109 3.082,1110 14.753,1111 19.518,1113 29.825,1114 14.202,1115 1.391,1116 4.382,1117 26.31,1118 2.574,1119 15.86,1120 21.015,1122 32.091,1123 15.28,1124 1.099,1125 3.687,1126 28.13,1127 2.276,1128 16.942,1129 22.475,1131 34.341,1132 16.321,1133 2336,1134 4170,1135 12.83,1136 20.159,1137 29.182,1138 28.631,1139 29.543,1140 28.826,1141 28.785,1142 40.861,1144 83.198,1145 27.119,1146 5.141,1147 5.065,1148 5.883,1149 5.098,1150 5.051,1151 7.448,1153 16.217,1154 4.938,1155 6.872,1156 1.536,1157 1.507,1158 1.555,1159 1.517,1160 1.515,1161 2.151,1163 4.379,1164 1.427,1165 4.084,1166 4.098,1167 4.319,1168 4.072,1169 6.471,1170 4.037,1171 3.844,1172 3.865,1173 3.853,1174 3.794,1175 5.182,1176 3.776,1177 3.352,1178 3.403,1179 3.432,1180 3.284,1181 4.773,1182 3.238,1183 2.954,1184 2.995,1185 2.924,1186 2.848,1187 4.559,1188 2.824,1189 2.906,1190 2.96,1191 2.802,1192 2.746,1193 4.043,1194 2.747,1195 2.818,1196 2.905,1197 2.694,1198 2.613,1199 3.71,1200 2.617,1201 2.567,1202 2.658,1203 2.39,1204 2.335,1205 3.528,1206 2.337,1207 2.181,1208 2.27,1209 2.213,1210 1.866,1211 3.349,1212 1.724,1213 0.237,1214 0.161,1215 0.333,1216 0.211,1217 0.161,1218 4.507,1219 0.234,1220 3.065,1222 6.331,1223 0.513,1224 4.003,1225 0.155,1226 3.051,1227 4.448,1229 9.741,1230 2.938,1231 1.991,1232 1.976,1233 2.064,1234 2.048,1235 1.207,1236 2.058,1237 1.757,1238 1.738,1239 1.852,1240 1.845,1241 0.955,1242 1.852,1243 1.334,1244 1.305,1245 1.375,1246 1.546,1247 0.4,1248 1.551,1249 0.989,1250 0.969,1251 1.155,1252 1.154,1253 0.272,1254 1.136,1255 0.883,1256 0.838,1257 1.125,1258 1.091,1259 0.139,1260 1.115,1261 0.831,1262 0.756,1263 1.067,1264 1.013,1265 0.035,1266 1.065,1267 0.551,1268 0.481,1269 0.838,1270 0.804,1272 0.821,1273 0.237,1274 0.109,1275 0.582,1276 0.581,1278 0.593,1279 3.664,1281 4.99,1282 2.398,1283 6.506,1284 4.727,1285 8.106,1286 6.804,1287 9.751,1293 5.671,1294 9.462,1305 19.052,1306 45.057,1307 85.079,1308 102.73,1309 124.382,1310 126.382,1311 126.382,1312 19.056,1313 6.436,1314 59.14,1315 87.38,1316 17,1317 12.068,1318 4.087,1319 3.17,1320 23.753,1321 44,1322 39,1323 0.276,1324 121.515,1325 194.5,1326 288.256,1327 4412,1329 11.828,1330 0.696,1331 0.573,1332 12.182,1333 9.738,1334 8.22,1335 0.433,1336 0.315,1337 5.209,1338 7.577,1339 5.02,1340 4.157,1341 8.629,1342 5.994,1343 7.702,1344 0.285,1345 0.18,1346 8.43,1347 4.847,1348 6.234,1349 0.178,1350 0.098,1351 6.92,1352 3.432,1353 5.429,1354 0.116,1355 0.055,1356 6.201,1357 2.581,1358 4.309,1359 0.076,1360 0.03,1361 4.952,1362 1.704,1363 0.416,1364 54.679,1365 0.279,1366 16.912,1367 0.8,1368 92,1369 249.967,1370 123.975,1371 272.482,1372 377.5,1373 254,1374 108,1375 268.435,1376 132.814,1377 291.548,1378 425.66,1379 275,1380 4.967}
{0 CHEMBL1667869,1 1.668,2 7.35,3 0.365,4 0.133,5 72.88,6 8.385,7 0.727,8 3.611,9 3.747,10 3.268,11 3.112,12 4.875,13 3.136,14 4.052,15 4.215,16 3.623,17 3.467,18 5.321,19 3.477,20 4.212,21 4.397,22 3.619,23 3.525,24 5.458,25 3.523,26 4.225,27 4.409,28 3.61,29 3.494,30 5.572,31 3.49,32 4.228,33 4.419,34 3.495,35 3.435,36 5.569,37 3.416,38 4.15,39 4.37,40 3.302,41 3.326,42 5.433,43 3.257,44 4.075,45 4.337,46 3.026,47 3.133,48 5.18,49 3.058,50 3.732,51 4.003,52 2.791,53 2.849,54 4.723,55 2.766,56 0.108,57 0.553,58 5.319,59 2.191,60 9.736,61 2.705,62 0.207,63 0.814,64 9.377,65 3.693,66 19.035,67 4.859,68 0.286,69 0.884,70 11.966,71 4.012,72 27.081,73 5.138,74 0.306,75 0.851,76 12.476,77 4.371,78 33.785,79 5.632,80 0.368,81 0.802,82 13.123,83 4.276,84 47.77,85 5.465,86 0.325,87 0.72,88 12.982,89 4.624,90 43.563,91 6.37,92 0.38,93 0.632,94 13.777,95 3.678,96 45.865,97 5.136,98 0.145,99 0.476,100 9.387,101 2.856,102 15.518,103 4.446,104 10,105 31,106 0.307,107 0.742,108 0.855,109 0.883,110 0.883,111 0.883,112 3.059,113 0.815,114 -2.61,115 -2.64,116 -2.57,119 40.6,120 1,142 3,143 2,144 1,145 1,146 1,147 1,149 1,151 1,158 1,163 1,164 1,165 1,168 1,172 4,174 1,175 6,177 1,178 2,180 2,183 4,185 1,187 4,190 1,191 1,192 2,195 2,197 1,198 1,199 5,201 1,202 2,204 5,207 2,209 3,211 1,212 3,215 1,217 3,220 2,222 1,223 1,224 2,226 1,227 2,228 1,229 2,231 1,232 1,236 1,237 2,240 1,242 2,250 1,255 1,262 1,263 1,265 1,266 2,267 1,268 1,270 1,275 480,276 13.43,277 13.43,278 13.43,279 13.43,280 13.43,281 11.361,282 13.107,283 7.913,284 13.675,285 10.866,286 10.866,287 10.866,288 10.866,289 10.866,290 7.772,291 16.58,292 3.757,293 11.254,294 3.332,295 0.972,296 0.36,297 0.211,298 0.211,299 0.211,300 3.734,304 1,305 1,306 316,307 2.646,310 51.042,311 92.232,315 79.3,318 1.15,319 21.419,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 44,331 147,332 4.635,333 3.61,334 6.779,335 4.174,336 3.193,337 4.585,338 1.058,339 11.112,340 3.133,341 4.051,342 3.079,343 6.001,344 3.669,345 2.697,346 3.557,348 8.414,349 2.617,350 3.837,351 2.564,352 5.389,353 3.39,354 2.423,355 3.365,357 7.015,358 2.339,359 3.531,360 2.351,361 5.016,362 3.077,363 2.128,364 2.937,366 5.938,367 2.013,368 3.219,369 2.184,370 4.888,371 2.744,372 1.779,373 2.437,375 5.112,376 1.706,377 2.887,378 1.434,379 4,380 2.389,381 1.401,382 2.067,384 3.28,385 1.383,386 2.624,387 1.319,388 3.771,389 2.179,390 1.223,391 1.67,393 2.916,394 1.166,395 2.438,396 1.303,397 3.345,398 1.932,399 0.932,400 1.348,402 2.245,403 0.925,404 2.118,405 0.618,406 3,407 1.547,408 0.618,409 0.927,411 1.372,412 0.572,413 1.386,414 0.36,415 2.753,416 0.953,422 0.971,423 0.128,424 2.648,425 0.579,426 -0.424,427 -0.551,428 -1.074,429 -0.417,430 0.962,431 -0.235,432 2.407,433 0.487,434 -0.455,435 -0.585,436 -1.165,437 -0.427,438 0.724,439 -0.537,440 2.217,441 0.3,442 -0.704,443 -0.997,445 -1.664,446 -0.707,447 0.361,448 -0.746,449 1.734,450 0.051,451 -0.925,452 -1.232,454 -2.509,455 -0.903,456 0.033,457 -1.019,458 1.531,459 -0.387,460 -1.38,461 -1.817,463 -3.108,464 -1.355,465 9.233,466 0.462,467 0.524,468 0.026,469 30,470 1.5,471 16.5,472 0.825,473 13.5,474 0.675,475 11.64,476 0.582,477 20.767,478 0.649,479 20.306,480 1.015,481 6.096,482 0.305,483 3.552,484 0.178,485 0.134,487 0.379,493 0.871,494 1.19,495 0.722,496 0.897,497 0.76,498 0.784,499 0.657,500 1.184,501 0.674,502 0.982,503 0.563,504 0.854,505 1.169,506 1.024,507 1.011,508 0.962,509 1.081,510 0.946,511 1.095,512 1.068,513 0.955,514 1.092,515 1.192,516 1.016,517 1.359,518 1.079,519 1.158,520 1.116,521 1.701,522 1.112,523 0.764,524 1.033,525 1.014,526 1.22,527 0.941,528 1.2,529 1.398,530 0.729,531 1.214,532 0.771,533 1.491,534 0.936,535 0.585,536 1.269,537 0.833,538 1.121,539 0.302,540 1.037,541 4,543 2.222,544 1.66,545 1.213,546 0.75,547 0.223,548 0.194,549 0.111,550 0.056,551 3561,552 11146,553 2.077,554 37.5,556 3,557 1,558 1,559 4,560 3,564 1.622,565 1.935,566 2.907,567 2.026,569 1,573 53.365,574 1.668,575 4.028,576 4.64,577 4.789,578 4.789,579 4.789,580 2.261,581 3.684,582 4.296,583 3.046,584 578.829,585 7.359,586 5813.28,588 1,591 160,592 1.441,593 4.248,594 0.182,596 0.072,597 0.055,598 0.042,599 0.03,600 0.011,601 0.013,602 0.009,603 0.009,604 0.423,605 0.5,606 1,607 0.627,608 87.025,609 -0.121,610 0.002,611 0.007,612 0.074,613 -0.159,614 0.074,615 0.127,616 -0.078,617 0.137,618 0.005,619 0.091,620 0.06,621 -0.198,622 0.041,623 -0.138,624 -0.014,625 -0.15,626 -0.048,627 -0.021,628 -0.056,629 -0.046,630 -0.118,631 0.043,632 -0.089,633 -0.133,634 -0.109,635 -0.21,636 -0.147,637 -0.166,638 -0.184,639 0.212,640 -0.128,641 -0.022,642 -0.199,643 0.172,644 -0.178,645 -0.249,646 0.142,647 -0.126,648 0.181,649 -0.285,650 0.067,651 0.075,652 -0.402,653 0.221,654 -0.117,655 0.139,656 0.046,657 1.936,658 5.295,659 0.75,660 12.2,661 1.018,662 1.139,663 1.384,664 1.916,665 0.68,666 3.135,667 3.466,668 3.738,669 4.025,670 4.174,671 4.22,672 4.248,673 4.304,674 4.29,675 4.205,676 4.709,677 0.669,678 268.31,679 3.135,680 4.673,681 5.525,682 6.412,683 7.283,684 8.174,685 9.052,686 9.945,687 10.827,688 11.722,689 18.8,693 1,696 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,718 1,722 1,731 32,733 17,734 1,735 22,737 34,738 13,739 11,740 3,741 3,742 1,746 3,747 4,752 1,761 12,762 1,766 1,771 1,775 1,777 1,778 1,781 12,782 6,783 4,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,816 1,840 2,844 1,848 20,849 1,855 1,870 3.1,873 1,877 10.333,878 6.017,879 4.361,880 1.706,881 3.071,882 1.462,883 1.025,884 3.085,885 9.716,886 3.466,887 4.123,888 4.755,889 5.396,890 5.879,891 6.197,892 6.546,893 6.899,894 7.204,895 7.254,896 0.8,897 30,898 7.325,900 3.126,901 7.933,902 13.54,904 10.808,905 2.433,906 48.667,910 94.169,911 75.369,912 117.805,914 25.145,917 75.369,918 119.314,919 117.805,920 8.825,921 18.011,922 70.373,923 91.855,924 38.698,925 14.099,926 70.627,928 94.169,929 193.174,930 25.145,933 96.497,934 25.145,937 54.691,938 85.921,939 50.234,941 94.169,942 142.95,943 75.369,946 94.169,947 20.02,948 55.349,949 34.674,950 108.276,951 94.169,952 142.95,953 75.369,955 0.584,956 0.344,957 0.196,958 0.097,959 16,960 7,961 0.059,962 2,963 1,964 1.133,965 3.198,966 153.564,967 0.133,968 15,969 86.439,974 12.573,975 4.907,976 2.366,977 1.203,978 126.287,979 8.36,980 12.183,981 2.632,984 1.927,986 67.571,987 312.487,988 31,993 12.295,997 -0.269,999 32.589,1000 36.445,1001 0.334,1002 0.806,1003 0.928,1004 0.958,1005 0.958,1006 0.958,1007 4.682,1008 0.932,1009 5.517,1010 2.916,1011 4.143,1012 4.808,1013 1.176,1014 6.34,1015 4.079,1016 5.916,1017 0.618,1018 7.083,1019 2.245,1020 3.761,1021 4.677,1023 7.261,1024 3.689,1025 7.237,1027 8.75,1028 1.372,1029 5.74,1030 7.096,1031 1.255,1032 10.393,1033 5.62,1034 8.597,1035 -0.424,1036 10.478,1038 6.176,1039 7.82,1041 12.163,1042 6.055,1043 9.989,1044 -0.455,1045 12.245,1046 -1.074,1047 7.631,1048 9.692,1049 1.338,1050 14.821,1051 7.472,1052 11.405,1053 -0.704,1054 14.041,1055 -1.165,1056 8.447,1057 10.83,1059 16.953,1060 8.286,1061 12.84,1062 -0.925,1063 15.859,1064 -1.664,1065 9.701,1066 12.483,1067 1.422,1068 19.448,1069 9.509,1070 3.193,1071 -1.38,1072 17.692,1073 -2.509,1074 10.695,1075 13.824,1077 21.736,1078 10.497,1079 2.697,1080 11.112,1081 19.539,1082 -3.108,1083 11.874,1084 15.39,1085 1.51,1086 24.174,1087 11.652,1088 2.423,1089 8.414,1090 21.396,1091 4.585,1092 12.951,1093 16.828,1095 26.528,1096 12.718,1097 2.128,1098 7.015,1099 23.262,1100 3.557,1101 14.105,1102 18.362,1103 1.599,1104 28.945,1105 13.853,1106 1.779,1107 5.938,1108 25.135,1109 3.365,1110 15.221,1111 19.844,1113 31.328,1114 14.955,1115 1.401,1116 5.112,1117 27.015,1118 2.937,1119 16.37,1120 21.369,1121 1.69,1122 33.739,1123 16.085,1124 1.223,1125 3.28,1126 28.899,1127 2.437,1128 17.505,1129 22.872,1131 36.135,1132 17.204,1133 3485,1134 6273,1135 14.622,1136 21.773,1137 33.315,1138 33.752,1139 33.649,1140 32.775,1141 32.788,1142 45.787,1143 2.117,1144 94.809,1145 31.708,1146 5.472,1147 5.61,1148 6.393,1149 5.247,1150 5.193,1151 7.585,1152 2.117,1153 18.459,1154 5.133,1155 9.001,1156 1.514,1157 1.534,1158 1.529,1159 1.49,1160 1.49,1161 2.081,1162 0.096,1163 4.31,1164 1.441,1165 4.083,1166 4.115,1167 4.057,1168 3.99,1169 7.429,1170 4.002,1171 3.88,1172 3.95,1173 3.829,1174 3.667,1175 5.21,1176 3.699,1177 3.528,1178 3.583,1179 3.464,1180 3.354,1181 5.029,1182 3.371,1183 3.305,1184 3.358,1185 3.227,1186 3.102,1187 4.762,1188 3.125,1189 3.105,1190 3.2,1191 2.956,1192 2.875,1193 4.431,1194 2.877,1195 2.815,1196 2.915,1197 2.674,1198 2.529,1199 3.91,1200 2.57,1201 2.635,1202 2.744,1203 2.459,1204 2.348,1205 3.756,1206 2.361,1207 2.501,1208 2.6,1209 2.315,1210 2.252,1211 3.628,1212 2.25,1213 0.211,1214 0.164,1215 0.308,1216 0.19,1217 0.145,1218 4.635,1219 0.208,1220 3.61,1221 0.048,1222 6.779,1223 0.505,1224 4.174,1225 0.142,1226 3.193,1227 4.585,1228 1.058,1229 11.112,1230 3.133,1231 2.022,1232 1.999,1233 2.08,1234 2.131,1235 1.196,1236 2.116,1237 1.549,1238 1.504,1239 1.705,1240 1.765,1241 0.744,1242 1.74,1243 1.452,1244 1.393,1245 1.642,1246 1.665,1247 0.7,1248 1.653,1249 1.247,1250 1.151,1251 1.425,1252 1.608,1253 0.376,1254 1.577,1255 1.175,1256 1.113,1257 1.395,1258 1.428,1259 0.262,1260 1.431,1261 1.014,1262 0.955,1263 1.203,1264 1.25,1265 0.219,1266 1.236,1267 0.695,1268 0.597,1269 1.015,1270 1.05,1272 1.052,1273 0.527,1274 0.439,1275 0.843,1276 0.817,1278 0.84,1279 3.807,1281 5.13,1282 2.398,1283 6.648,1284 4.443,1285 8.266,1286 6.26,1287 9.942,1289 1.737,1293 5.864,1296 2.735,1305 21.424,1306 53.365,1307 128.881,1308 148.49,1309 153.245,1310 153.245,1311 153.245,1312 28.705,1313 6.645,1314 109.58,1315 109.58,1316 17,1317 12.25,1318 4.17,1319 3.322,1320 29.808,1321 55,1322 52,1323 0.268,1324 134.634,1325 217.35,1326 320.266,1327 5907,1329 14.113,1330 0.706,1331 0.536,1332 14.113,1333 10.714,1334 9.648,1335 0.439,1336 0.272,1337 5.876,1338 9.203,1339 5.737,1340 4.784,1341 9.648,1342 5.979,1343 8.84,1344 0.285,1345 0.139,1346 8.84,1347 4.299,1348 7.265,1349 0.177,1350 0.07,1351 7.265,1352 2.869,1353 6.414,1354 0.117,1355 0.036,1356 6.414,1357 1.993,1358 4.602,1359 0.072,1360 0.019,1361 4.602,1362 1.21,1363 0.404,1364 60.978,1365 0.262,1366 19.558,1367 0.787,1368 106,1369 338.649,1370 118.289,1371 332.886,1372 457.64,1373 310,1374 125,1375 346.186,1376 137.124,1377 350.026,1378 508.19,1379 329,1380 8.222}
{0 CHEMBL1668263,1 1.636,2 9.583,3 1.779,4 3.166,5 88.854,6 7.888,7 0.654,8 3.826,9 3.948,10 3.433,11 3.333,12 5.045,13 3.341,14 4.301,15 4.472,16 3.794,17 3.678,18 5.512,19 3.675,20 4.443,21 4.605,22 3.887,23 3.811,24 5.669,25 3.808,26 4.56,27 4.745,28 3.861,29 3.823,30 5.834,31 3.793,32 4.603,33 4.816,34 3.712,35 3.772,36 5.834,37 3.719,38 4.486,39 4.71,40 3.631,41 3.683,42 5.682,43 3.609,44 4.431,45 4.651,46 3.415,47 3.593,48 5.61,49 3.506,50 4.389,51 4.692,52 3.258,53 3.442,54 5.287,55 3.319,56 0.07,57 0.638,58 7.547,59 3.243,60 9.489,61 4.124,62 0.306,63 0.95,64 14.419,65 5.357,66 27.097,67 7.114,68 0.253,69 1.122,70 15.78,71 5.564,72 26.884,73 7.266,74 0.33,75 1.178,76 18.881,77 6.64,78 38.116,79 8.886,80 0.496,81 1.137,82 21.637,83 6.662,84 65.64,85 9.028,86 0.356,87 1.01,88 19.384,89 7.03,90 50.266,91 9.796,92 0.477,93 0.972,94 18.123,95 5.47,96 57.634,97 7.507,98 0.26,99 0.84,100 20.286,101 6.435,102 33.654,103 9.89,104 27,105 37,106 0.286,107 0.683,108 0.808,109 0.868,110 0.868,111 0.868,112 3.229,113 0.847,114 -3.82,115 -3.78,116 -3.59,119 41.5,120 2,124 1,142 4,143 3,144 1,145 1,146 1,147 2,149 1,158 1,163 1,164 1,165 1,172 6,174 2,175 8,177 1,178 2,180 3,183 6,185 1,187 6,190 1,192 3,195 3,197 1,198 1,199 8,201 1,202 2,204 6,207 4,209 3,211 1,212 4,215 1,217 2,220 4,222 1,223 1,224 4,226 1,227 2,228 1,229 2,231 1,232 6,234 1,236 2,237 5,245 4,250 3,255 1,258 2,260 1,262 2,263 5,265 1,266 1,268 1,271 1,273 1,275 824,276 15.955,277 15.955,278 15.955,279 15.955,280 15.955,281 13.731,282 19.846,283 9.184,284 16.381,285 12.733,286 12.733,287 12.733,288 12.733,289 12.733,290 9.326,291 23.426,292 4.263,293 13.328,294 3.722,295 1.455,296 0.738,297 0.397,298 0.397,299 0.397,300 3.905,303 1,304 1,305 1,306 488,307 3,311 194.434,315 102.871,318 1.451,319 26.318,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.5,331 230,332 4.686,333 3.645,334 6.917,335 4.242,336 3.257,337 4.635,338 1.058,339 11.588,340 3.211,341 4.115,342 3.097,343 6.149,344 3.714,345 2.747,346 3.676,347 0.86,348 8.829,349 2.656,350 3.992,351 2.86,352 5.51,353 3.547,354 2.597,355 3.56,357 7.398,358 2.467,359 3.569,360 2.588,361 5.182,362 3.163,363 2.226,364 2.954,366 6.421,367 2.084,368 3.487,369 2.377,370 5.031,371 3.059,372 2.114,373 2.799,375 5.95,376 1.987,377 3.248,378 2.283,379 4.962,380 2.833,381 1.844,382 2.534,384 5.316,385 1.813,386 3.16,387 1.922,388 4.735,389 2.682,390 1.718,391 2.348,393 4.852,394 1.642,395 2.55,396 1.308,397 3.915,398 2.091,399 1.107,400 1.539,402 2.845,403 1.084,404 2.5,405 1.16,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.739,414 1,415 3.088,416 1.438,417 0.576,418 0.643,420 0.967,421 0.492,422 1.41,423 0.584,424 2.784,425 1.017,426 0.071,427 0.087,428 0.177,429 0.067,430 1.263,431 0.323,432 2.741,433 0.893,434 -0.083,435 -0.107,436 -0.198,437 -0.08,438 1.137,439 0.112,440 2.596,441 0.738,442 -0.238,443 -0.314,445 -0.501,446 -0.227,447 0.819,448 -0.244,449 2.349,450 0.42,451 -0.515,452 -0.624,454 -1.254,455 -0.481,456 0.545,457 -0.277,458 2,459 0.116,460 -0.851,461 -1.077,463 -1.908,464 -0.806,465 11.167,466 0.465,467 0.682,468 0.028,469 35,470 1.458,471 19,472 0.792,473 16,474 0.667,475 16.562,476 0.69,477 25.433,478 0.62,479 25.893,480 1.079,481 7.095,482 0.296,483 4.395,484 0.183,485 0.2,487 0.403,493 0.875,494 1.327,495 0.753,496 1.061,497 0.783,498 0.903,499 0.804,500 0.998,501 0.653,502 0.809,503 0.58,504 0.73,505 1.14,506 1.203,507 0.968,508 1.015,509 1.066,510 0.954,511 1.019,512 1.216,513 1.026,514 1.187,515 1.067,516 1.119,517 1.322,518 0.966,519 1.197,520 0.983,521 1.901,522 1.048,523 0.698,524 1.03,525 0.861,526 1.086,527 0.881,528 1.034,529 1.246,530 0.946,531 1.409,532 1.046,533 1.544,534 1.209,535 0.521,536 0.842,537 0.64,538 0.804,539 0.404,540 0.75,541 5.5,542 0.103,543 2.889,544 2.125,545 1.751,546 1.181,547 0.465,548 0.302,549 0.262,550 0.132,551 5822,552 17281,553 2.015,554 41.5,555 3,556 7,558 1,559 3,560 3,564 1.671,565 1.846,566 3.188,567 1.039,568 1,569 1,571 1,573 67.076,574 1.636,575 3.903,576 4.619,577 4.961,578 4.961,579 4.961,580 2.685,581 4.252,582 4.555,583 3.356,584 926.27,585 7.875,586 10614.9,587 1,588 1,590 1,591 219.66,592 1.528,593 4.493,594 0.212,595 0.01,596 0.078,597 0.053,598 0.047,599 0.038,600 0.016,601 0.014,602 0.013,603 0.009,604 0.49,605 0.5,606 1,607 0.854,608 112.826,609 -0.107,610 -0.143,611 0.028,612 -0.037,613 -0.15,614 0.018,615 0.152,616 0.076,617 0.242,618 0.193,619 0.134,620 0.218,621 -0.189,622 -0.064,623 -0.106,624 -0.053,625 -0.141,626 -0.056,627 -0.031,628 -0.159,629 -0.113,630 -0.219,631 0.057,632 -0.189,633 -0.172,634 0.032,635 -0.217,636 -0.037,637 -0.249,638 -0.115,639 0.185,640 -0.094,641 0.112,642 -0.072,643 0.234,644 -0.017,645 -0.185,646 0.078,647 -0.442,648 -0.118,649 -0.293,650 -0.286,651 0.137,652 -0.015,653 0.425,654 0.203,655 0.184,656 0.347,657 1.942,658 5.755,659 0.667,660 17.889,661 1.011,662 1.132,663 2.589,664 6.703,665 0.671,666 3.296,667 3.638,668 3.912,669 4.19,670 4.419,671 4.489,672 4.466,673 4.585,674 4.554,675 4.564,676 5.607,677 0.651,678 323.39,679 3.296,680 4.844,681 5.7,682 6.592,683 7.467,684 8.364,685 9.247,686 10.148,687 11.034,688 11.938,689 12.2,693 1,696 1,699 3,703 2,704 5,705 3,709 6,711 17,718 1,722 1,729 1,731 41,733 18,734 1,735 26,737 43,738 17,739 13,740 4,741 2,742 1,746 3,747 4,752 2,761 14,762 3,766 1,771 1,775 1,777 1,778 1,781 17,782 7,783 3,784 7,790 5,794 0.667,795 2,805 1,806 1,812 3,816 1,840 2,844 3,848 24,849 1,855 1,856 1,870 4.9,873 1,875 1,877 13,878 8.433,879 5.306,880 2.226,881 3.369,882 1.478,883 0.986,884 4.32,885 10.423,886 3.597,887 4.263,888 4.89,889 5.527,890 6.117,891 6.414,892 6.701,893 7.11,894 7.356,895 7.502,896 1,897 40,898 8.817,900 3.702,901 7.875,902 16.405,904 12.93,905 2.375,906 57,910 164.795,911 103.506,912 101.265,914 36.145,917 103.506,918 200.94,919 101.265,920 28.533,921 18.011,922 70.802,923 91.977,924 36.22,925 7.143,926 153.024,928 164.795,929 204.77,930 36.145,933 167.123,934 36.145,937 46.853,938 105.233,939 50.357,941 164.795,942 137.409,943 103.506,946 164.795,947 28.02,948 75.486,949 18.011,950 119.399,951 164.795,952 137.409,953 103.506,955 0.587,956 0.35,957 0.191,958 0.105,959 18,960 9,961 0.07,962 3,963 1,964 1.125,965 3.484,966 197.196,967 0.125,968 16,969 108.039,974 16.154,975 6.419,976 3.175,977 1.197,978 137.409,979 8.587,980 12.62,984 3.198,986 50.908,987 405.711,988 35.5,993 12.755,997 -0.275,999 41.465,1000 46.402,1001 0.305,1002 0.728,1003 0.862,1004 0.926,1005 0.926,1006 0.926,1007 4.83,1008 1.107,1009 5.707,1010 4.852,1011 4.317,1012 4.949,1013 1.552,1014 6.544,1015 4.24,1016 6.074,1017 1,1018 7.287,1019 2.845,1020 4.007,1021 4.902,1023 7.509,1024 3.918,1025 7.406,1026 0.576,1027 8.965,1028 2.275,1029 5.938,1030 7.248,1031 1.527,1032 10.625,1033 5.802,1034 8.773,1035 0.071,1036 10.699,1037 0.967,1038 6.399,1039 7.987,1041 12.427,1042 6.261,1043 10.169,1044 -0.083,1045 12.472,1046 0.177,1047 7.84,1048 9.846,1049 1.53,1050 15.098,1051 7.669,1052 11.587,1053 -0.238,1054 14.273,1055 -0.198,1056 8.668,1057 10.978,1059 17.273,1060 8.499,1061 13.024,1062 -0.515,1063 16.096,1064 -0.501,1065 9.923,1066 12.637,1067 1.557,1068 19.793,1069 9.732,1070 3.257,1071 -0.851,1072 17.936,1073 -1.254,1074 10.928,1075 13.971,1077 22.127,1078 10.738,1079 2.747,1080 11.588,1081 19.792,1082 -1.908,1083 12.115,1084 15.547,1085 1.603,1086 24.596,1087 11.909,1088 2.597,1089 8.829,1090 21.661,1091 4.635,1092 13.205,1093 16.982,1095 26.997,1096 12.997,1097 2.226,1098 7.398,1099 23.539,1100 3.676,1101 14.372,1102 18.525,1103 1.663,1104 29.45,1105 14.152,1106 2.114,1107 6.421,1108 25.427,1109 3.56,1110 15.503,1111 20.01,1113 31.878,1114 15.277,1115 1.844,1116 5.95,1117 27.321,1118 2.954,1119 16.666,1120 21.542,1121 1.734,1122 34.327,1123 16.43,1124 1.718,1125 5.316,1126 29.222,1127 2.799,1128 17.818,1129 23.051,1131 36.766,1132 17.574,1133 5763,1134 10049,1135 16.819,1136 27.506,1137 38.873,1138 40.127,1139 40.883,1140 38.423,1141 38.513,1142 52.55,1143 3.837,1144 113.239,1145 36.922,1146 5.52,1147 5.645,1148 6.47,1149 5.315,1150 5.257,1151 7.635,1152 2.117,1153 19.009,1154 5.211,1155 13.567,1156 1.495,1157 1.543,1158 1.572,1159 1.478,1160 1.481,1161 2.021,1162 0.148,1163 4.355,1164 1.42,1165 4.094,1166 4.123,1167 4.069,1168 4.008,1169 7.429,1170 4.019,1171 3.873,1172 3.91,1173 3.827,1174 3.74,1175 5.209,1176 3.755,1177 3.575,1178 3.63,1179 3.51,1180 3.411,1181 4.98,1182 3.427,1183 3.359,1184 3.404,1185 3.277,1186 3.136,1187 4.758,1188 3.161,1189 3.233,1190 3.313,1191 3.075,1192 3.025,1193 4.444,1194 3.024,1195 3.158,1196 3.228,1197 2.977,1198 2.916,1199 4.41,1200 2.92,1201 2.957,1202 3.079,1203 2.759,1204 2.676,1205 3.903,1206 2.67,1207 2.83,1208 2.913,1209 2.653,1210 2.668,1211 3.814,1212 2.658,1213 0.18,1214 0.14,1215 0.266,1216 0.163,1217 0.125,1218 4.686,1219 0.178,1220 3.645,1221 0.041,1222 6.917,1223 0.446,1224 4.242,1225 0.124,1226 3.257,1227 4.635,1228 1.058,1229 11.588,1230 3.211,1231 2.036,1232 2.014,1233 2.095,1234 2.14,1235 1.241,1236 2.126,1237 1.812,1238 1.778,1239 1.91,1240 1.972,1241 0.942,1242 1.954,1243 1.529,1244 1.473,1245 1.738,1246 1.725,1247 0.783,1248 1.729,1249 1.268,1250 1.22,1251 1.574,1252 1.557,1253 0.631,1254 1.554,1255 1.216,1256 1.141,1257 1.552,1258 1.468,1259 0.576,1260 1.497,1261 1.116,1262 1.052,1263 1.32,1264 1.394,1265 0.305,1266 1.388,1267 0.924,1268 0.811,1269 1.264,1270 1.257,1271 0.192,1272 1.274,1273 0.822,1274 0.754,1275 1.078,1276 1.049,1277 0.113,1278 1.064,1279 3.97,1281 5.303,1283 6.841,1285 8.477,1287 10.166,1289 5.133,1293 5.954,1296 2.823,1297 5.007,1305 26.697,1306 67.076,1307 160.011,1308 189.395,1309 203.395,1310 203.395,1311 203.395,1312 40.139,1313 7.054,1314 103.02,1315 103.02,1316 18,1317 12.461,1318 4.248,1319 3.392,1320 39.195,1321 78,1322 100,1323 0.244,1324 167.277,1325 281.7,1326 399.917,1327 10124,1329 17.267,1330 0.719,1331 0.568,1332 17.267,1333 13.622,1334 11.49,1335 0.442,1336 0.282,1337 7.213,1338 10.972,1339 6.934,1340 5.826,1341 11.49,1342 7.341,1343 10.522,1344 0.284,1345 0.145,1346 10.522,1347 5.353,1348 8.742,1349 0.178,1350 0.074,1351 8.742,1352 3.648,1353 7.519,1354 0.116,1355 0.038,1356 7.519,1357 2.491,1358 5.776,1359 0.07,1360 0.02,1361 5.776,1362 1.615,1363 0.376,1364 72.603,1365 0.244,1366 23.129,1367 0.693,1368 126,1369 402.052,1370 140.223,1371 389.554,1372 534.58,1373 364,1374 149,1375 398.379,1376 162.505,1377 405.699,1378 590.73,1379 379,1380 7}
{0 CHEMBL1668264,1 1.636,2 9.625,3 1.779,4 3.166,5 88.854,6 7.888,7 0.654,8 3.826,9 3.948,10 3.433,11 3.333,12 5.044,13 3.341,14 4.301,15 4.472,16 3.794,17 3.678,18 5.514,19 3.675,20 4.443,21 4.604,22 3.87,23 3.802,24 5.681,25 3.796,26 4.557,27 4.757,28 3.822,29 3.806,30 5.781,31 3.772,32 4.528,33 4.72,34 3.765,35 3.764,36 5.79,37 3.718,38 4.548,39 4.778,40 3.574,41 3.654,42 5.798,43 3.585,44 4.411,45 4.668,46 3.397,47 3.534,48 5.5,49 3.451,50 4.168,51 4.379,52 3.312,53 3.437,54 5.233,55 3.349,56 0.07,57 0.638,58 7.547,59 3.243,60 9.486,61 4.124,62 0.306,63 0.95,64 14.419,65 5.357,66 27.027,67 7.114,68 0.25,69 1.119,70 15.727,71 5.563,72 27.084,73 7.264,74 0.381,75 1.154,76 19.638,77 6.608,78 43.704,79 8.93,80 0.312,81 1.104,82 18.665,83 6.68,84 41.685,85 9.103,86 0.53,87 1.052,88 21.213,89 6.284,90 73.766,91 8.676,92 0.492,93 0.898,94 19.612,95 5.806,96 58.204,97 8.289,98 0.107,99 0.769,100 13.061,101 5.247,102 15.422,103 7.356,104 27,105 37,106 0.286,107 0.683,108 0.808,109 0.868,110 0.868,111 0.868,112 3.229,113 0.846,114 -3.82,115 -3.78,116 -3.59,119 41.5,120 2,124 1,142 4,143 3,144 1,145 1,146 1,147 2,149 1,158 1,163 1,164 1,165 1,172 6,174 2,175 8,177 1,178 2,180 3,183 6,185 1,187 6,190 1,192 3,195 4,197 1,198 1,199 6,201 1,202 2,204 5,207 3,209 3,211 1,212 7,215 1,217 4,220 4,222 2,223 1,224 3,226 1,227 2,228 1,229 1,231 1,232 4,236 2,237 4,245 5,250 4,255 1,258 3,260 1,262 2,263 4,265 1,266 1,268 1,271 1,273 1,275 822,276 15.903,277 15.903,278 15.903,279 15.903,280 15.903,281 13.706,282 19.846,283 9.189,284 16.329,285 12.76,286 12.76,287 12.76,288 12.76,289 12.76,290 9.352,291 22.702,292 4.309,293 13.355,294 3.722,295 1.455,296 0.738,297 0.397,298 0.397,299 0.397,300 3.906,303 1,304 1,305 1,306 490,307 3,311 194.983,315 102.871,318 1.49,319 26.158,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.5,331 231,332 4.659,333 3.615,334 6.797,335 4.201,336 3.219,337 4.614,338 1.058,339 11.201,340 3.164,341 4.088,342 3.105,343 6.008,344 3.688,345 2.724,346 3.659,347 0.86,348 8.452,349 2.628,350 3.937,351 2.859,352 5.491,353 3.499,354 2.546,355 3.447,357 7.321,358 2.425,359 3.665,360 2.531,361 5.167,362 3.252,363 2.285,364 3.094,366 6.389,367 2.215,368 3.475,369 2.394,370 5.115,371 3.07,372 2.136,373 2.781,375 6.256,376 1.979,377 3.351,378 2.22,379 4.909,380 2.945,381 1.978,382 2.661,384 5.525,385 1.903,386 3.159,387 2.115,388 4.822,389 2.681,390 1.714,391 2.36,393 5.018,394 1.644,395 2.507,396 1.335,397 3.984,398 2.03,399 1.045,400 1.5,402 2.914,403 1.022,404 2.5,405 1.16,406 3.414,407 1.959,408 1,409 1.459,411 2.275,412 0.956,413 1.737,414 1,415 3.084,416 1.43,417 0.565,418 0.636,420 0.948,421 0.484,422 1.565,423 0.551,424 2.79,425 1.174,426 0.217,427 0.277,428 0.543,429 0.207,430 1.138,431 0.428,432 2.746,433 0.776,434 -0.175,435 -0.218,436 -0.351,437 -0.164,438 0.987,439 -0.212,440 2.584,441 0.506,442 -0.432,443 -0.563,445 -1.145,446 -0.402,447 0.746,448 -0.236,449 2.351,450 0.32,451 -0.667,452 -0.81,454 -1.662,455 -0.656,456 0.559,457 -0.354,458 2,459 0.28,460 -0.703,461 -0.918,463 -1.906,464 -0.684,465 11.167,466 0.465,467 0.698,468 0.029,469 35,470 1.458,471 19,472 0.792,473 16,474 0.667,475 16.435,476 0.685,477 25.433,478 0.62,479 25.852,480 1.077,481 7.079,482 0.295,483 4.394,484 0.183,485 0.2,487 0.403,493 0.875,494 1.327,495 0.753,496 1.061,497 0.785,498 0.903,499 0.804,500 0.998,501 0.653,502 0.809,503 0.573,504 0.73,505 1.145,506 1.243,507 1.011,508 1.072,509 1.062,510 1.011,511 1.055,512 1.027,513 0.997,514 1.008,515 1.149,516 0.99,517 0.936,518 1.31,519 1.025,520 1.27,521 1.356,522 1.186,523 1.263,524 0.875,525 1.214,526 0.962,527 1.63,528 1.057,529 1.053,530 0.647,531 1.001,532 0.673,533 1.286,534 0.793,535 0.563,536 1.365,537 0.94,538 1.376,539 0.472,540 1.261,541 6,542 0.12,543 2.667,544 1.75,545 2.071,546 0.903,547 0.506,548 0.349,549 0.229,550 0.148,551 5870,552 17365,553 2.015,554 41.5,555 3,556 7,558 1,559 3,560 3,564 1.671,565 1.846,566 3.206,567 1.039,568 1,569 1,571 1,573 67.076,574 1.636,575 3.903,576 4.619,577 4.961,578 4.961,579 4.961,580 2.685,581 4.022,582 4.555,583 3.368,584 929.558,585 7.873,586 10699.6,587 1,588 1,590 1,591 219.66,592 1.528,593 4.493,594 0.231,595 0.012,596 0.072,597 0.045,598 0.058,599 0.027,600 0.019,601 0.015,602 0.011,603 0.01,604 0.5,605 0.5,606 1,607 0.854,608 113.022,609 -0.107,610 -0.143,611 0.028,612 -0.037,613 -0.152,614 0.018,615 0.152,616 0.076,617 0.242,618 0.193,619 0.141,620 0.218,621 -0.193,622 -0.105,623 -0.15,624 -0.111,625 -0.137,626 -0.115,627 -0.055,628 0.011,629 -0.059,630 -0.044,631 -0.014,632 -0.05,633 0.023,634 -0.297,635 -0.099,636 -0.282,637 0.003,638 -0.227,639 -0.099,640 0.103,641 -0.203,642 -0.033,643 -0.1,644 -0.121,645 -0.027,646 0.278,647 0.036,648 0.286,649 -0.076,650 0.199,651 0.056,652 -0.397,653 -0.032,654 -0.333,655 0.078,656 -0.226,657 1.951,658 5.686,659 0.667,660 18.458,661 1.011,662 1.132,663 2.589,664 6.703,665 0.671,666 3.296,667 3.638,668 3.892,669 4.174,670 4.443,671 4.454,672 4.522,673 4.533,674 4.575,675 4.564,676 5.655,677 0.651,678 323.39,679 3.296,680 4.844,681 5.694,682 6.583,683 7.455,684 8.348,685 9.23,686 10.124,687 11.012,688 11.907,689 12.2,693 1,696 1,699 3,703 2,704 5,705 3,709 6,711 17,718 1,722 1,729 1,731 41,733 18,734 1,735 26,737 43,738 17,739 13,740 4,741 2,742 1,746 3,747 4,752 2,761 14,762 3,766 1,771 1,775 1,777 1,778 1,781 17,782 7,783 3,784 7,790 5,794 0.667,795 2,805 1,806 1,812 3,816 1,840 2,844 3,848 24,849 1,855 1,856 1,870 4.9,873 1,875 1,877 13,878 8.433,879 5.278,880 2.219,881 3.343,882 1.474,883 0.986,884 4.32,885 10.398,886 3.597,887 4.263,888 4.879,889 5.518,890 6.136,891 6.394,892 6.747,893 7.057,894 7.386,895 7.504,896 1,897 39,898 8.815,900 3.7,901 7.875,902 16.405,904 12.926,905 2.375,906 57,910 164.795,911 103.506,912 101.265,914 36.145,917 103.506,918 200.94,919 101.265,920 28.533,921 18.011,922 70.802,923 91.977,924 36.22,925 7.143,926 153.024,928 164.795,929 204.77,930 36.145,933 167.123,934 36.145,937 46.853,938 105.233,939 50.357,941 164.795,942 137.409,943 103.506,946 164.795,947 28.02,948 75.486,949 18.011,950 119.399,951 164.795,952 137.409,953 103.506,955 0.586,956 0.343,957 0.188,958 0.111,959 18,960 9,961 0.07,962 3,963 1,964 1.125,965 3.497,966 196.356,967 0.125,968 16,969 110.039,974 16.154,975 6.419,976 3.316,977 1.197,978 137.409,979 8.574,980 12.607,984 3.266,986 50.908,987 405.711,988 35.5,993 12.686,997 -0.284,999 41.465,1000 46.402,1001 0.305,1002 0.728,1003 0.862,1004 0.926,1005 0.926,1006 0.926,1007 4.83,1008 1.045,1009 5.7,1010 5.018,1011 4.317,1012 4.949,1013 1.552,1014 6.524,1015 4.24,1016 6.074,1017 1,1018 7.27,1019 2.914,1020 4.007,1021 4.902,1023 7.434,1024 3.918,1025 7.403,1026 0.565,1027 8.935,1028 2.275,1029 5.927,1030 7.241,1031 1.527,1032 10.54,1033 5.789,1034 8.766,1035 0.217,1036 10.653,1037 0.948,1038 6.365,1039 7.964,1041 12.265,1042 6.223,1043 10.156,1044 -0.175,1045 12.407,1046 0.543,1047 7.804,1048 9.825,1049 1.53,1050 14.925,1051 7.626,1052 11.567,1053 -0.432,1054 14.188,1055 -0.351,1056 8.603,1057 10.939,1059 17.033,1060 8.422,1061 12.996,1062 -0.667,1063 15.989,1064 -1.145,1065 9.853,1066 12.6,1067 1.557,1068 19.534,1069 9.647,1070 3.219,1071 -0.703,1072 17.808,1073 -1.662,1074 10.834,1075 13.921,1077 21.817,1078 10.624,1079 2.724,1080 11.201,1081 19.641,1082 -1.906,1083 12.013,1084 15.497,1085 1.603,1086 24.261,1087 11.784,1088 2.546,1089 8.452,1090 21.487,1091 4.614,1092 13.084,1093 16.924,1095 26.619,1096 12.848,1097 2.285,1098 7.321,1099 23.344,1100 3.659,1101 14.24,1102 18.466,1103 1.663,1104 29.043,1105 13.988,1106 2.136,1107 6.389,1108 25.21,1109 3.447,1110 15.356,1111 19.945,1113 31.433,1114 15.094,1115 1.978,1116 6.256,1117 27.084,1118 3.094,1119 16.508,1120 21.475,1121 1.734,1122 33.85,1123 16.232,1124 1.714,1125 5.525,1126 28.964,1127 2.781,1128 17.647,1129 22.978,1131 36.254,1132 17.358,1133 5808,1134 10112,1135 16.819,1136 27.506,1137 39.247,1138 40.458,1139 40.658,1140 38.792,1141 38.856,1142 52.976,1143 3.837,1144 113.681,1145 37.257,1146 5.49,1147 5.615,1148 6.35,1149 5.274,1150 5.219,1151 7.614,1152 2.117,1153 18.571,1154 5.164,1155 13.644,1156 1.51,1157 1.556,1158 1.564,1159 1.492,1160 1.494,1161 2.038,1162 0.148,1163 4.372,1164 1.433,1165 4.093,1166 4.122,1167 4.068,1168 4.007,1169 7.429,1170 4.018,1171 3.873,1172 3.911,1173 3.827,1174 3.74,1175 5.209,1176 3.755,1177 3.565,1178 3.623,1179 3.497,1180 3.401,1181 4.98,1182 3.415,1183 3.393,1184 3.434,1185 3.317,1186 3.176,1187 4.759,1188 3.206,1189 3.218,1190 3.29,1191 3.062,1192 3.003,1193 4.445,1194 2.99,1195 3.178,1196 3.267,1197 2.987,1198 2.956,1199 4.41,1200 2.963,1201 2.945,1202 3.047,1203 2.786,1204 2.703,1205 3.92,1206 2.703,1207 2.779,1208 2.86,1209 2.631,1210 2.551,1211 3.837,1212 2.571,1213 0.179,1214 0.139,1215 0.261,1216 0.162,1217 0.124,1218 4.659,1219 0.177,1220 3.615,1221 0.041,1222 6.797,1223 0.431,1224 4.201,1225 0.122,1226 3.219,1227 4.614,1228 1.058,1229 11.201,1230 3.164,1231 2.036,1232 2.013,1233 2.096,1234 2.14,1235 1.239,1236 2.126,1237 1.812,1238 1.778,1239 1.911,1240 1.972,1241 0.943,1242 1.954,1243 1.523,1244 1.464,1245 1.737,1246 1.718,1247 0.78,1248 1.726,1249 1.293,1250 1.256,1251 1.576,1252 1.576,1253 0.619,1254 1.565,1255 1.189,1256 1.105,1257 1.532,1258 1.451,1259 0.575,1260 1.473,1261 1.17,1262 1.101,1263 1.397,1264 1.437,1265 0.381,1266 1.45,1267 0.886,1268 0.802,1269 1.174,1270 1.208,1271 0.171,1272 1.209,1273 0.75,1274 0.664,1275 1.05,1276 0.998,1277 0.029,1278 1.023,1279 3.97,1281 5.303,1283 6.834,1285 8.461,1287 10.143,1289 5.168,1293 5.973,1296 2.81,1297 5.004,1305 26.697,1306 67.076,1307 160.011,1308 189.395,1309 203.395,1310 203.395,1311 203.395,1312 39.634,1313 7.054,1314 103.02,1315 103.02,1316 18,1317 12.434,1318 4.248,1319 3.392,1320 39.207,1321 79,1322 100,1323 0.242,1324 167.277,1325 281.7,1326 399.917,1327 10106,1329 17.267,1330 0.719,1331 0.568,1332 17.267,1333 13.622,1334 11.474,1335 0.441,1336 0.282,1337 7.207,1338 10.955,1339 6.924,1340 5.824,1341 11.474,1342 7.335,1343 10.63,1344 0.287,1345 0.146,1346 10.63,1347 5.408,1348 8.608,1349 0.179,1350 0.074,1351 8.608,1352 3.534,1353 7.297,1354 0.114,1355 0.038,1356 7.297,1357 2.462,1358 6.142,1359 0.073,1360 0.02,1361 6.142,1362 1.691,1363 0.373,1364 72.502,1365 0.244,1366 23.166,1367 0.683,1368 126,1369 402.052,1370 140.223,1371 389.903,1372 534.1,1373 364,1374 148,1375 397.379,1376 161.505,1377 405.298,1378 588.72,1379 378,1380 9.301}
{0 CHEMBL1668265,1 1.64,2 7.333,3 1.39,4 1.933,5 78.235,6 8.067,7 0.696,8 3.686,9 3.824,10 3.311,11 3.188,12 4.918,13 3.2,14 4.146,15 4.322,16 3.682,17 3.548,18 5.377,19 3.547,20 4.296,21 4.479,22 3.702,23 3.633,24 5.506,25 3.626,26 4.36,27 4.54,28 3.745,29 3.644,30 5.704,31 3.628,32 4.433,33 4.643,34 3.606,35 3.595,36 5.697,37 3.567,38 4.324,39 4.544,40 3.503,41 3.511,42 5.584,43 3.446,44 4.288,45 4.529,46 3.191,47 3.376,48 5.412,49 3.288,50 4.161,51 4.492,52 2.845,53 3.107,54 5.017,55 2.943,56 0.097,57 0.591,58 6.31,59 2.512,60 9.782,61 3.281,62 0.216,63 0.877,64 11.423,65 4.335,66 20.541,67 5.966,68 0.256,69 0.971,70 13.601,71 4.45,72 27.278,73 5.998,74 0.296,75 0.983,76 14.62,77 5.267,78 34.703,79 7.14,80 0.426,81 0.957,82 17.721,83 5.087,84 56.436,85 6.839,86 0.351,87 0.87,88 15.917,89 5.595,90 49.972,91 7.845,92 0.387,93 0.817,94 15.839,95 4.189,96 49.297,97 5.988,98 0.286,99 0.632,100 16.918,101 4.737,102 31.785,103 7.709,104 17,105 33,106 0.297,107 0.71,108 0.813,109 0.869,110 0.869,111 0.869,112 3.105,113 0.836,114 -3.69,115 -3.66,116 -3.48,119 40,120 2,142 3,143 3,146 1,147 2,149 1,151 1,158 1,163 1,164 1,165 1,168 1,172 5,174 1,175 7,177 1,178 3,180 4,183 6,185 1,187 4,191 1,192 2,195 3,197 1,198 2,199 9,201 1,202 2,204 6,207 4,209 3,212 3,215 1,217 3,220 3,222 1,223 2,224 6,226 1,227 2,228 1,229 3,231 1,232 5,234 1,237 1,240 1,242 3,245 1,249 1,250 2,252 1,253 1,255 2,258 1,260 1,266 1,267 1,268 1,270 1,275 561,276 13.93,277 13.93,278 13.93,279 13.93,280 13.93,281 11.808,282 15.533,283 8.099,284 14.193,285 11.339,286 11.339,287 11.339,288 11.339,289 11.339,290 8.165,291 18.775,292 3.838,293 11.745,294 3.489,295 1.208,296 0.636,297 0.329,298 0.329,299 0.329,300 3.777,303 1,304 1,305 1,306 329,307 2.739,310 53.008,311 98.152,315 84.387,318 1.111,319 22.388,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 154,332 4.686,333 3.645,334 6.917,335 4.242,336 3.257,337 4.635,338 1.058,339 11.588,340 3.211,341 4.1,342 3.096,343 6.149,344 3.703,345 2.734,346 3.63,348 8.829,349 2.646,350 3.892,351 2.623,352 5.423,353 3.446,354 2.493,355 3.451,357 7.145,358 2.371,359 3.537,360 2.506,361 5.031,362 3.085,363 2.131,364 2.944,366 5.953,367 2.03,368 3.291,369 2.284,370 4.964,371 2.887,372 1.887,373 2.548,375 5.317,376 1.875,377 3.201,378 1.922,379 4.775,380 2.717,381 1.763,382 2.437,384 4.97,385 1.674,386 2.63,387 1.319,388 3.934,389 2.18,390 1.227,391 1.68,393 2.984,394 1.167,395 2.489,396 1.307,397 3.39,398 1.989,399 1.01,400 1.44,402 2.345,403 0.981,404 2.118,405 0.618,406 3,407 1.604,408 0.618,409 0.927,411 1.372,412 0.609,413 1.41,414 0.496,415 2.947,416 0.997,417 0.036,418 0.046,420 0.102,421 0.034,422 1.262,423 0.175,424 2.75,425 0.892,426 -0.088,427 -0.112,428 -0.21,429 -0.086,430 0.971,431 0.109,432 2.612,433 0.548,434 -0.436,435 -0.566,436 -1.111,437 -0.414,438 0.817,439 -0.247,440 2.308,441 0.417,442 -0.539,443 -0.686,445 -1.279,446 -0.523,447 0.407,448 -0.694,449 2,450 0.076,451 -0.91,452 -1.223,454 -2.544,455 -0.895,456 0.077,457 -0.988,458 1.62,459 -0.219,460 -1.204,461 -1.539,463 -3.127,464 -1.184,465 9.733,466 0.463,467 0.613,468 0.029,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 13.884,476 0.661,477 22.067,478 0.63,479 21.275,480 1.013,481 6.153,482 0.293,483 3.906,484 0.186,485 0.178,487 0.411,493 0.855,494 1.21,495 0.748,496 0.94,497 0.768,498 0.83,499 0.562,500 1.096,501 0.615,502 0.93,503 0.515,504 0.806,505 1.213,506 1.099,507 0.998,508 0.965,509 1.113,510 0.933,511 0.898,512 1.216,513 0.92,514 1.234,515 0.99,516 1.112,517 1.655,518 0.993,519 1.216,520 0.982,521 1.949,522 1.019,523 0.768,524 1.07,525 0.935,526 1.181,527 0.96,528 1.13,529 1.564,530 1.008,531 1.497,532 1.069,533 1.588,534 1.239,535 0.478,536 0.75,537 0.771,538 0.812,539 0.247,540 0.834,541 4.5,543 2.444,544 2.097,545 1.404,546 1.056,547 0.315,548 0.234,549 0.111,550 0.056,551 3896,552 11629,553 2.045,554 40,555 3,556 3,557 1,559 4,560 3,564 1.638,565 1.881,566 2.884,567 1.968,569 1,571 1,573 57.409,574 1.64,575 3.922,576 4.493,577 4.8,578 4.8,579 4.8,580 2.258,581 4.107,582 4.366,583 3.037,584 637.836,585 7.512,586 6603.4,587 1,588 1,591 179.525,592 1.51,593 4.305,594 0.196,596 0.074,597 0.064,598 0.043,599 0.038,600 0.013,601 0.014,602 0.009,603 0.009,604 0.459,605 0.5,606 1,607 0.665,608 92.584,609 -0.096,610 0.002,611 0.014,612 0.061,613 -0.155,614 0.063,615 0.228,616 0.009,617 0.234,618 0.08,619 0.145,620 0.142,621 -0.234,622 0.002,623 -0.127,624 -0.003,625 -0.179,626 -0.029,627 0.138,628 -0.172,629 -0.025,630 -0.242,631 0.181,632 -0.176,633 -0.313,634 -0.022,635 -0.233,636 -0.036,637 -0.298,638 -0.102,639 0.24,640 -0.14,641 0.038,642 -0.164,643 0.211,644 -0.126,645 -0.423,646 -0.042,647 -0.501,648 -0.16,649 -0.427,650 -0.319,651 0.206,652 0.018,653 0.36,654 0.18,655 0.211,656 0.28,657 1.942,658 5.503,659 0.714,660 13.197,661 1.014,662 1.139,663 2.46,664 6.051,665 0.672,666 3.178,667 3.526,668 3.807,669 4.111,670 4.263,671 4.369,672 4.344,673 4.454,674 4.369,675 4.277,676 4.714,677 0.656,678 282.34,679 3.178,680 4.727,681 5.587,682 6.485,683 7.363,684 8.267,685 9.153,686 10.059,687 10.949,688 11.858,689 17.1,693 1,696 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,718 1,722 1,731 35,733 17,734 1,735 23,737 37,738 14,739 11,740 4,741 2,742 1,746 3,747 4,752 2,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 6,783 4,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,816 1,840 2,844 2,848 21,849 1,855 1,870 2.9,873 1,877 11.167,878 6.933,879 4.556,880 1.918,881 3.081,882 1.457,883 1.015,884 3.315,885 9.821,886 3.497,887 4.171,888 4.805,889 5.46,890 5.952,891 6.322,892 6.628,893 7.037,894 7.275,895 7.339,896 0.8,897 33,898 7.708,900 3.284,901 7.897,902 14.314,904 11.447,905 2.397,906 50.333,910 117.711,911 77.903,912 117.805,914 25.145,917 77.903,918 142.856,919 117.805,920 17.65,921 18.011,922 70.373,923 80.084,924 30.079,925 16.427,926 105.94,928 117.711,929 195.708,930 25.145,933 120.039,934 25.145,937 54.468,938 88.678,939 50.234,941 117.711,942 142.95,943 77.903,946 117.711,947 22.777,948 55.127,949 34.674,950 108.276,951 117.711,952 142.95,953 77.903,955 0.59,956 0.349,957 0.199,958 0.099,959 17,960 8,961 0.054,962 2,963 1,964 1.133,965 3.223,966 166.729,967 0.133,968 15,969 92.239,974 13.525,975 5.148,976 2.457,977 1.214,978 126.287,979 6.963,980 12.405,981 2.646,984 2.64,986 67.571,987 338.564,988 32,993 12.503,997 -0.275,999 35.473,1000 39.86,1001 0.32,1002 0.765,1003 0.876,1004 0.936,1005 0.936,1006 0.936,1007 4.727,1008 1.01,1009 5.595,1010 2.984,1011 4.205,1012 4.856,1013 1.176,1014 6.441,1015 4.141,1016 5.974,1017 0.618,1018 7.177,1019 2.345,1020 3.892,1021 4.796,1023 7.416,1024 3.817,1025 7.306,1026 0.036,1027 8.861,1028 1.372,1029 5.826,1030 7.161,1031 1.255,1032 10.558,1033 5.71,1034 8.676,1035 -0.088,1036 10.604,1037 0.102,1038 6.312,1039 7.929,1041 12.384,1042 6.196,1043 10.077,1044 -0.436,1045 12.387,1046 -0.21,1047 7.745,1048 9.773,1049 1.338,1050 15.065,1051 7.596,1052 11.501,1053 -0.539,1054 14.199,1055 -1.111,1056 8.6,1057 10.94,1059 17.253,1060 8.453,1061 12.944,1062 -0.91,1063 16.032,1064 -1.279,1065 9.851,1066 12.582,1067 1.422,1068 19.779,1069 9.68,1070 3.257,1071 -1.204,1072 17.883,1073 -2.544,1074 10.876,1075 13.943,1077 22.119,1078 10.704,1079 2.734,1080 11.588,1081 19.748,1082 -3.127,1083 12.063,1084 15.509,1085 1.51,1086 24.59,1087 11.874,1088 2.493,1089 8.829,1090 21.624,1091 4.635,1092 13.166,1093 16.961,1095 26.993,1096 12.972,1097 2.131,1098 7.145,1099 23.509,1100 3.63,1101 14.335,1102 18.5,1103 1.599,1104 29.447,1105 14.128,1106 1.887,1107 5.953,1108 25.402,1109 3.451,1110 15.474,1111 19.994,1113 31.876,1114 15.259,1115 1.763,1116 5.317,1117 27.302,1118 2.944,1119 16.64,1120 21.526,1121 1.69,1122 34.326,1123 16.413,1124 1.227,1125 4.97,1126 29.206,1127 2.548,1128 17.797,1129 23.039,1131 36.766,1132 17.561,1133 3841,1134 6752,1135 15.027,1136 23.534,1137 34.884,1138 35.318,1139 35.667,1140 34.308,1141 34.311,1142 47.476,1143 2.117,1144 101.208,1145 33.199,1146 5.528,1147 5.645,1148 6.532,1149 5.315,1150 5.257,1151 7.635,1152 2.117,1153 19.009,1154 5.211,1155 10.672,1156 1.517,1157 1.536,1158 1.551,1159 1.492,1160 1.492,1161 2.064,1162 0.092,1163 4.4,1164 1.443,1165 4.094,1166 4.124,1167 4.069,1168 4.007,1169 7.429,1170 4.018,1171 3.878,1172 3.95,1173 3.827,1174 3.663,1175 5.209,1176 3.694,1177 3.572,1178 3.629,1179 3.504,1180 3.409,1181 5.024,1182 3.424,1183 3.311,1184 3.362,1185 3.238,1186 3.117,1187 4.758,1188 3.134,1189 3.191,1190 3.275,1191 3.022,1192 2.983,1193 4.437,1194 2.984,1195 2.957,1196 3.079,1197 2.761,1198 2.674,1199 3.88,1200 2.667,1201 2.807,1202 2.901,1203 2.634,1204 2.559,1205 3.809,1206 2.588,1207 2.545,1208 2.65,1209 2.384,1210 2.222,1211 3.741,1212 2.246,1213 0.204,1214 0.158,1215 0.301,1216 0.184,1217 0.142,1218 4.686,1219 0.202,1220 3.645,1221 0.046,1222 6.917,1223 0.504,1224 4.242,1225 0.14,1226 3.257,1227 4.635,1228 1.058,1229 11.588,1230 3.211,1231 2.035,1232 2.013,1233 2.094,1234 2.138,1235 1.24,1236 2.124,1237 1.55,1238 1.499,1239 1.74,1240 1.761,1241 0.784,1242 1.745,1243 1.483,1244 1.43,1245 1.652,1246 1.687,1247 0.684,1248 1.67,1249 1.318,1250 1.237,1251 1.552,1252 1.655,1253 0.631,1254 1.628,1255 1.23,1256 1.148,1257 1.458,1258 1.464,1259 0.349,1260 1.495,1261 1.023,1262 0.971,1263 1.279,1264 1.296,1265 0.198,1266 1.302,1267 0.923,1268 0.811,1269 1.159,1270 1.225,1271 0.13,1272 1.214,1273 0.667,1274 0.579,1275 0.947,1276 1.014,1278 1.011,1279 3.85,1281 5.187,1282 2.398,1283 6.718,1284 4.443,1285 8.351,1286 6.26,1287 10.044,1289 3.597,1293 5.912,1296 2.728,1305 22.95,1306 57.409,1307 137.26,1308 157.26,1309 168.015,1310 168.015,1311 168.015,1312 32.05,1313 6.741,1314 109.58,1315 109.58,1316 17,1317 12.377,1318 4.17,1319 3.322,1320 31.928,1321 57,1322 57,1323 0.275,1324 144.226,1325 234.65,1326 343.671,1327 6530,1329 14.983,1330 0.713,1331 0.554,1332 14.983,1333 11.637,1334 10.059,1335 0.437,1336 0.279,1337 6.304,1338 9.619,1339 6.098,1340 5.105,1341 10.059,1342 6.406,1343 9.377,1344 0.284,1345 0.143,1346 9.377,1347 4.723,1348 7.673,1349 0.174,1350 0.072,1351 7.673,1352 3.187,1353 6.89,1354 0.115,1355 0.037,1356 6.89,1357 2.232,1358 4.775,1359 0.068,1360 0.019,1361 4.775,1362 1.349,1363 0.41,1364 63.396,1365 0.258,1366 20.296,1367 0.819,1368 112,1369 346.649,1370 124.677,1371 341.372,1372 471.63,1373 318,1374 133,1375 359.538,1376 145.262,1377 363.817,1378 530.2,1379 342,1380 5.342}
{0 CHEMBL1668266,1 1.64,2 7.381,3 1.39,4 1.933,5 78.235,6 8.067,7 0.696,8 3.686,9 3.824,10 3.311,11 3.188,12 4.917,13 3.2,14 4.146,15 4.322,16 3.682,17 3.548,18 5.38,19 3.547,20 4.296,21 4.478,22 3.681,23 3.622,24 5.52,25 3.612,26 4.356,27 4.554,28 3.701,29 3.624,30 5.643,31 3.602,32 4.344,33 4.527,34 3.665,35 3.585,36 5.648,37 3.566,38 4.397,39 4.624,40 3.434,41 3.483,42 5.705,43 3.423,44 4.258,45 4.533,46 3.176,47 3.319,48 5.276,49 3.227,50 3.936,51 4.185,52 2.968,53 3.107,54 4.986,55 3.006,56 0.097,57 0.591,58 6.31,59 2.512,60 9.782,61 3.281,62 0.216,63 0.877,64 11.423,65 4.335,66 20.554,67 5.966,68 0.252,69 0.966,70 13.534,71 4.448,72 26.726,73 5.996,74 0.346,75 0.957,76 15.487,77 5.238,78 41.547,79 7.195,80 0.24,81 0.937,82 14.658,83 5.1,84 31.551,85 6.923,86 0.533,87 0.892,88 17.726,89 4.863,90 73.772,91 6.677,92 0.363,93 0.747,94 17.159,95 4.78,96 47.364,97 7.108,98 0.179,99 0.605,100 10.764,101 3.526,102 19.132,103 5.285,104 17,105 33,106 0.297,107 0.71,108 0.813,109 0.869,110 0.869,111 0.869,112 3.105,113 0.835,114 -3.69,115 -3.66,116 -3.48,119 40,120 2,142 3,143 3,146 1,147 2,149 1,151 1,158 1,163 1,164 1,165 1,168 1,172 5,174 1,175 7,177 1,178 3,180 4,183 6,185 1,187 4,191 1,192 2,195 4,197 1,198 2,199 7,201 1,202 2,204 5,207 3,209 3,212 6,215 1,217 5,220 3,222 2,223 2,224 4,226 1,227 2,228 1,229 2,231 1,232 3,237 2,240 1,242 2,245 3,249 1,250 2,252 1,253 1,255 3,258 1,260 1,266 1,267 1,268 1,270 1,275 556,276 13.878,277 13.878,278 13.878,279 13.878,280 13.878,281 11.783,282 15.533,283 8.105,284 14.141,285 11.366,286 11.366,287 11.366,288 11.366,289 11.366,290 8.191,291 18.05,292 3.885,293 11.772,294 3.489,295 1.208,296 0.636,297 0.329,298 0.329,299 0.329,300 3.777,303 1,304 1,305 1,306 331,307 2.739,310 53.484,311 98.152,315 84.387,318 1.125,319 22.224,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 155,332 4.659,333 3.615,334 6.797,335 4.201,336 3.219,337 4.614,338 1.058,339 11.201,340 3.164,341 4.052,342 3.104,343 6.008,344 3.665,345 2.698,346 3.56,348 8.447,349 2.609,350 3.851,351 2.574,352 5.391,353 3.399,354 2.442,355 3.388,357 7.032,358 2.331,359 3.647,360 2.512,361 5.115,362 3.224,363 2.245,364 3.083,366 6.279,367 2.196,368 3.356,369 2.221,370 4.918,371 2.949,372 1.983,373 2.664,375 5.525,376 1.907,377 3.214,378 2.117,379 4.847,380 2.732,381 1.768,382 2.437,384 5.101,385 1.694,386 2.637,387 1.336,388 4.013,389 2.183,390 1.237,391 1.687,393 3.12,394 1.167,395 2.444,396 1.317,397 3.373,398 1.921,399 0.933,400 1.353,402 2.273,403 0.914,404 2.118,405 0.618,406 3,407 1.604,408 0.618,409 0.927,411 1.372,412 0.609,413 1.567,414 0.488,415 2.969,416 1.173,417 0.212,418 0.273,420 0.554,421 0.203,422 0.988,423 0.278,424 2.746,425 0.57,426 -0.407,427 -0.523,428 -1.065,429 -0.391,430 0.971,431 -0.235,432 2.599,433 0.502,434 -0.44,435 -0.569,436 -1.149,437 -0.412,438 0.741,439 -0.34,440 2.31,441 0.319,442 -0.671,443 -0.813,445 -1.664,446 -0.661,447 0.526,448 -0.537,449 2,450 0.28,451 -0.715,452 -0.997,454 -2.046,455 -0.712,456 0.143,457 -0.829,458 1.62,459 -0.12,460 -1.114,461 -1.424,463 -2.939,464 -1.103,465 9.733,466 0.463,467 0.63,468 0.03,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 13.771,476 0.656,477 22.067,478 0.63,479 21.24,480 1.011,481 6.137,482 0.292,483 3.905,484 0.186,485 0.178,487 0.411,493 0.855,494 1.21,495 0.748,496 0.94,497 0.771,498 0.83,499 0.562,500 1.096,501 0.615,502 0.93,503 0.507,504 0.806,505 1.219,506 1.143,507 1.048,508 1.034,509 1.11,510 1.002,511 0.947,512 0.996,513 0.884,514 1.004,515 1.085,516 0.948,517 1.147,518 1.395,519 1.005,520 1.342,521 1.342,522 1.187,523 1.526,524 0.838,525 1.362,526 0.987,527 1.793,528 1.134,529 1.194,530 0.821,531 1.006,532 0.781,533 1.255,534 0.858,535 0.612,536 1.152,537 1.093,538 1.254,539 0.366,540 1.258,541 5,543 2.222,544 1.722,545 1.724,546 0.778,547 0.385,548 0.237,549 0.143,550 0.056,551 3932,552 11693,553 2.045,554 40,555 3,556 3,557 1,559 4,560 3,564 1.638,565 1.881,566 2.908,567 1.968,569 1,571 1,573 57.409,574 1.64,575 3.922,576 4.493,577 4.8,578 4.8,579 4.8,580 2.244,581 4.202,582 4.366,583 3.049,584 640.299,585 7.51,586 6661.64,587 1,588 1,591 179.525,592 1.51,593 4.305,594 0.217,596 0.067,597 0.054,598 0.054,599 0.026,600 0.018,601 0.013,602 0.01,603 0.009,604 0.469,605 0.5,606 1,607 0.665,608 92.772,609 -0.096,610 0.002,611 0.014,612 0.061,613 -0.158,614 0.063,615 0.228,616 0.009,617 0.234,618 0.08,619 0.154,620 0.142,621 -0.24,622 -0.044,623 -0.179,624 -0.073,625 -0.175,626 -0.1,627 0.107,628 0.018,629 0.046,630 -0.015,631 0.101,632 0.003,633 -0.053,634 -0.386,635 -0.091,636 -0.349,637 -0.007,638 -0.244,639 -0.16,640 0.119,641 -0.35,642 -0.073,643 -0.182,644 -0.227,645 -0.146,646 0.025,647 0.068,648 0.195,649 -0.151,650 0.169,651 0.058,652 -0.188,653 -0.136,654 -0.276,655 0.055,656 -0.254,657 1.951,658 5.435,659 0.714,660 13.687,661 1.014,662 1.139,663 2.46,664 6.051,665 0.672,666 3.178,667 3.526,668 3.784,669 4.094,670 4.29,671 4.331,672 4.407,673 4.394,674 4.419,675 4.304,676 4.761,677 0.656,678 282.34,679 3.178,680 4.727,681 5.58,682 6.475,683 7.351,684 8.249,685 9.134,686 10.034,687 10.925,688 11.825,689 17.1,693 1,696 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,718 1,722 1,731 35,733 17,734 1,735 23,737 37,738 14,739 11,740 4,741 2,742 1,746 3,747 4,752 2,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 6,783 4,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,816 1,840 2,844 2,848 21,849 1,855 1,870 2.9,873 1,877 11.167,878 6.933,879 4.528,880 1.911,881 3.057,882 1.454,883 1.015,884 3.315,885 9.798,886 3.497,887 4.171,888 4.793,889 5.451,890 5.974,891 6.299,892 6.677,893 6.98,894 7.315,895 7.353,896 0.8,897 32,898 7.707,900 3.282,901 7.897,902 14.314,904 11.442,905 2.397,906 50.333,910 117.711,911 77.903,912 117.805,914 25.145,917 77.903,918 142.856,919 117.805,920 17.65,921 18.011,922 70.373,923 80.084,924 30.079,925 16.427,926 105.94,928 117.711,929 195.708,930 25.145,933 120.039,934 25.145,937 54.468,938 88.678,939 50.234,941 117.711,942 142.95,943 77.903,946 117.711,947 22.777,948 55.127,949 34.674,950 108.276,951 117.711,952 142.95,953 77.903,955 0.589,956 0.341,957 0.196,958 0.106,959 17,960 8,961 0.054,962 2,963 1,964 1.133,965 3.237,966 165.964,967 0.133,968 15,969 92.239,974 13.525,975 5.148,976 2.579,977 1.214,978 126.287,979 6.949,980 12.389,981 2.643,984 2.708,986 67.571,987 338.564,988 32,993 12.435,997 -0.284,999 35.473,1000 39.86,1001 0.32,1002 0.765,1003 0.876,1004 0.936,1005 0.936,1006 0.936,1007 4.727,1008 0.933,1009 5.587,1010 3.12,1011 4.205,1012 4.856,1013 1.176,1014 6.418,1015 4.141,1016 5.974,1017 0.618,1018 7.159,1019 2.273,1020 3.892,1021 4.796,1023 7.334,1024 3.817,1025 7.303,1026 0.212,1027 8.827,1028 1.372,1029 5.814,1030 7.154,1031 1.255,1032 10.466,1033 5.697,1034 8.668,1035 -0.407,1036 10.553,1037 0.554,1038 6.275,1039 7.904,1041 12.213,1042 6.154,1043 10.063,1044 -0.44,1045 12.316,1046 -1.065,1047 7.706,1048 9.751,1049 1.338,1050 14.886,1051 7.55,1052 11.479,1053 -0.671,1054 14.107,1055 -1.149,1056 8.531,1057 10.899,1059 17.009,1060 8.372,1061 12.914,1062 -0.715,1063 15.918,1064 -1.664,1065 9.776,1066 12.543,1067 1.422,1068 19.516,1069 9.591,1070 3.219,1071 -1.114,1072 17.746,1073 -2.046,1074 10.777,1075 13.892,1077 21.806,1078 10.586,1079 2.698,1080 11.201,1081 19.589,1082 -2.939,1083 11.956,1084 15.457,1085 1.51,1086 24.253,1087 11.744,1088 2.442,1089 8.447,1090 21.443,1091 4.614,1092 13.04,1093 16.901,1095 26.614,1096 12.819,1097 2.245,1098 7.032,1099 23.307,1100 3.56,1101 14.198,1102 18.439,1103 1.599,1104 29.039,1105 13.96,1106 1.983,1107 6.279,1108 25.18,1109 3.388,1110 15.323,1111 19.928,1113 31.43,1114 15.072,1115 1.768,1116 5.525,1117 27.059,1118 3.083,1119 16.478,1120 21.457,1121 1.69,1122 33.849,1123 16.212,1124 1.237,1125 5.101,1126 28.944,1127 2.664,1128 17.622,1129 22.966,1131 36.253,1132 17.342,1133 3874,1134 6799,1135 15.027,1136 23.534,1137 35.26,1138 35.615,1139 35.472,1140 34.714,1141 34.709,1142 47.973,1143 2.117,1144 101.808,1145 33.586,1146 5.498,1147 5.615,1148 6.412,1149 5.274,1150 5.219,1151 7.614,1152 2.117,1153 18.571,1154 5.164,1155 10.749,1156 1.533,1157 1.548,1158 1.542,1159 1.509,1160 1.509,1161 2.086,1162 0.092,1163 4.426,1164 1.46,1165 4.093,1166 4.123,1167 4.068,1168 4.006,1169 7.429,1170 4.017,1171 3.879,1172 3.95,1173 3.828,1174 3.663,1175 5.209,1176 3.695,1177 3.563,1178 3.622,1179 3.491,1180 3.399,1181 5.024,1182 3.413,1183 3.356,1184 3.399,1185 3.285,1186 3.151,1187 4.759,1188 3.178,1189 3.18,1190 3.277,1191 3,1192 3.003,1193 4.438,1194 2.985,1195 2.944,1196 3.05,1197 2.8,1198 2.632,1199 3.913,1200 2.668,1201 2.645,1202 2.754,1203 2.472,1204 2.395,1205 3.782,1206 2.391,1207 2.623,1208 2.738,1209 2.344,1210 2.338,1211 3.667,1212 2.336,1213 0.203,1214 0.157,1215 0.296,1216 0.183,1217 0.14,1218 4.659,1219 0.201,1220 3.615,1221 0.046,1222 6.797,1223 0.487,1224 4.201,1225 0.138,1226 3.219,1227 4.614,1228 1.058,1229 11.201,1230 3.164,1231 2.035,1232 2.012,1233 2.094,1234 2.138,1235 1.238,1236 2.124,1237 1.539,1238 1.488,1239 1.738,1240 1.753,1241 0.78,1242 1.737,1243 1.494,1244 1.441,1245 1.657,1246 1.688,1247 0.69,1248 1.678,1249 1.334,1250 1.26,1251 1.538,1252 1.673,1253 0.614,1254 1.64,1255 1.189,1256 1.105,1257 1.467,1258 1.441,1259 0.397,1260 1.471,1261 1.128,1262 1.06,1263 1.309,1264 1.373,1265 0.229,1266 1.368,1267 0.769,1268 0.673,1269 1.07,1270 1.133,1271 0.023,1272 1.116,1273 0.604,1274 0.494,1275 0.937,1276 0.924,1278 0.945,1279 3.85,1281 5.187,1282 2.398,1283 6.711,1284 4.443,1285 8.334,1286 6.26,1287 10.018,1289 3.634,1293 5.931,1296 2.714,1305 22.95,1306 57.409,1307 137.26,1308 157.26,1309 168.015,1310 168.015,1311 168.015,1312 31.608,1313 6.741,1314 109.58,1315 109.58,1316 17,1317 12.349,1318 4.17,1319 3.322,1320 31.943,1321 58,1322 57,1323 0.271,1324 144.226,1325 234.65,1326 343.671,1327 6518,1329 14.983,1330 0.713,1331 0.554,1332 14.983,1333 11.637,1334 10.042,1335 0.437,1336 0.278,1337 6.298,1338 9.602,1339 6.088,1340 5.103,1341 10.042,1342 6.4,1343 9.485,1344 0.287,1345 0.145,1346 9.485,1347 4.778,1348 7.539,1349 0.175,1350 0.071,1351 7.539,1352 3.073,1353 6.668,1354 0.113,1355 0.037,1356 6.668,1357 2.203,1358 5.141,1359 0.071,1360 0.02,1361 5.141,1362 1.423,1363 0.406,1364 63.295,1365 0.258,1366 20.336,1367 0.804,1368 112,1369 346.649,1370 124.677,1371 341.721,1372 471.15,1373 318,1374 132,1375 358.538,1376 144.262,1377 363.416,1378 528.19,1379 341,1380 7.456}
{0 CHEMBL1668267,1 1.649,2 9.333,3 0.666,4 0.443,5 100.811,6 7.655,7 0.533,8 4.001,9 4.136,10 3.588,11 3.456,12 5.129,13 3.469,14 4.535,15 4.72,16 3.942,17 3.842,18 5.643,19 3.836,20 4.727,21 4.933,22 3.945,23 3.972,24 5.787,25 3.929,26 4.78,27 5.011,28 3.95,29 3.999,30 5.87,31 3.932,32 4.777,33 4.994,34 3.976,35 3.989,36 5.882,37 3.937,38 4.796,39 5.015,40 3.949,41 3.97,42 5.989,43 3.907,44 4.794,45 5.033,46 3.892,47 3.919,48 5.805,49 3.865,50 4.712,51 4.933,52 3.838,53 3.82,54 5.835,55 3.782,56 0.11,57 0.784,58 9.76,59 3.65,60 10.573,61 5.078,62 0.387,63 1.192,64 19.121,65 6.071,66 28.407,67 8.691,68 0.471,69 1.358,70 24.024,71 7.327,72 37.086,73 10.738,74 0.447,75 1.372,76 26.145,77 8.725,78 48.252,79 12.906,80 0.367,81 1.363,82 25.734,83 8.545,84 41.178,85 12.538,86 0.658,87 1.372,88 26.548,89 8.433,90 74.346,91 12.094,92 0.495,93 1.331,94 27.547,95 7.771,96 50.741,97 11.843,98 0.485,99 1.271,100 24.197,101 6.156,102 55.212,103 9.573,104 10,105 42,106 0.279,107 0.674,108 0.827,109 0.844,110 0.844,111 0.844,112 3.341,113 0.878,114 -3.19,115 -3.18,116 -3.06,119 37.5,120 1,125 5,142 3,143 3,146 1,147 2,149 1,151 1,158 1,163 1,164 1,165 1,168 1,172 4,174 1,175 8,177 1,178 3,180 4,183 4,185 1,186 1,187 6,191 1,192 2,195 2,197 1,198 2,199 9,201 1,202 2,204 5,207 3,209 3,212 4,215 1,217 3,220 3,222 1,223 5,224 6,226 2,227 4,228 1,229 2,231 1,232 3,237 3,240 1,242 2,245 1,249 2,250 4,252 1,253 1,255 2,258 1,260 1,262 3,265 1,266 4,267 1,268 1,270 1,275 1165,276 18.309,277 18.309,278 18.309,279 18.309,280 18.309,281 16.266,282 24.11,283 10.924,284 18.838,285 14.866,286 14.866,287 14.866,288 14.866,289 14.866,290 11.719,291 31.349,292 5.278,293 15.672,294 3.936,295 1.601,296 0.698,297 0.599,298 0.599,299 0.599,300 4.036,304 1,305 1,306 549,307 3,310 68.67,311 214.721,315 115.036,318 1.407,319 28.723,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 59.5,331 252,332 4.662,333 3.617,334 6.801,335 4.208,336 3.226,337 4.616,338 1.058,339 11.221,340 3.17,341 4.053,342 3.136,343 6.008,344 3.665,345 2.698,346 3.561,347 0.916,348 8.448,349 2.609,350 3.869,351 2.962,352 5.564,353 3.555,354 2.616,355 3.396,356 0.86,357 7.647,358 2.463,359 3.75,360 2.569,361 5.39,362 3.378,363 2.423,364 3.135,365 0.172,366 7.02,367 2.31,368 3.49,369 2.506,370 5.094,371 3.156,372 2.203,373 2.753,375 6.236,376 2.085,377 3.273,378 2.264,379 4.938,380 2.944,381 1.985,382 2.437,384 5.653,385 1.895,386 3.211,387 2.174,388 4.871,389 2.733,390 1.77,391 2.369,393 5.106,394 1.695,395 2.638,396 1.981,397 4.015,398 2.273,399 1.413,400 1.688,402 3.139,403 1.208,404 2.454,405 1.336,406 3.604,407 2.181,408 1.236,409 1.441,411 3.028,412 1.163,413 2.43,414 1.317,415 3.378,416 1.952,417 1,418 1.351,420 2.273,421 0.946,422 2.118,423 1.256,424 3.247,425 1.921,426 0.933,427 1,428 2.136,429 0.914,430 2,431 0.618,432 3.112,433 1.604,434 0.618,435 0.927,436 1.372,437 0.609,438 1.599,439 0.589,440 3,441 1.249,442 0.295,443 0.362,445 0.811,446 0.28,447 1.031,448 0.317,449 2.78,450 0.744,451 -0.189,452 -0.214,454 -0.498,455 -0.175,456 0.971,457 0.048,458 2.629,459 0.561,460 -0.424,461 -0.547,463 -1.086,464 -0.41,465 12.467,466 0.462,467 0.661,468 0.024,469 35.25,470 1.306,471 16.5,472 0.611,473 18.75,474 0.694,475 21.493,476 0.796,477 29.533,478 0.615,479 27.02,480 1.001,481 7.135,482 0.264,483 5.962,484 0.221,485 0.099,487 0.353,493 0.881,494 1.423,495 0.771,496 1.13,497 0.735,498 0.949,499 1.045,500 1.098,501 0.851,502 0.92,503 0.617,504 0.861,505 1.142,506 1.069,507 1.074,508 1,509 0.971,510 1.016,511 0.683,512 1.003,513 0.845,514 1.036,515 0.861,516 0.982,517 0.89,518 1.224,519 0.861,520 1.149,521 1.145,522 1.029,523 0.897,524 0.894,525 1.055,526 1.075,527 1.363,528 1.104,529 1.161,530 1.111,531 0.962,532 0.972,533 1.313,534 0.94,535 1.317,536 1.263,537 1.233,538 1.182,539 1.513,540 1.178,541 5.5,542 0.036,543 2.222,544 1.91,545 1.755,546 0.903,547 0.77,548 0.421,549 0.303,550 0.191,551 8427,552 23234,553 2.12,554 43.8,556 13,557 1,559 4,560 3,564 1.709,565 2,566 3.204,567 1.771,569 1,573 79.129,574 1.649,575 3.984,576 4.887,577 4.986,578 4.986,579 4.986,580 2.672,581 4.385,582 4.723,583 3.365,584 1181.1,585 8.244,586 14930.3,588 1,591 268.078,592 1.352,593 4.694,594 0.183,595 0.003,596 0.053,597 0.047,598 0.043,599 0.021,600 0.02,601 0.011,602 0.009,603 0.008,604 0.398,605 0.17,606 1,607 0.528,608 131.676,609 -0.072,610 -0.148,611 0.048,612 -0.048,613 -0.081,614 0.016,615 -0.033,616 0.031,617 0.062,618 0.095,619 0.082,620 0.092,621 -0.169,622 0.011,623 -0.145,624 0.003,625 -0.084,626 -0.054,627 0.112,628 0.004,629 0.093,630 0.003,631 0.161,632 0.039,633 0.005,634 -0.223,635 0.08,636 -0.1,637 0.013,638 -0.011,639 0.133,640 0.136,641 -0.098,642 -0.084,643 0.025,644 -0.139,645 -0.14,646 -0.146,647 0.024,648 0.008,649 -0.153,650 0.039,651 -0.219,652 -0.2,653 -0.266,654 -0.265,655 -0.25,656 -0.272,657 1.951,658 5.893,659 0.778,660 24.08,661 1.012,662 1.142,663 1.959,664 3.837,665 0.652,666 3.434,667 3.761,668 4.025,669 4.331,670 4.554,671 4.644,672 4.82,673 4.949,674 5.063,675 5.088,676 5.826,677 0.631,678 367.46,679 3.434,680 4.977,681 5.826,682 6.711,683 7.58,684 8.472,685 9.353,686 10.249,687 11.137,688 12.036,689 14.6,692 1,693 1,696 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,718 1,722 1,731 48,733 17,734 1,735 30,737 51,738 18,739 11,740 4,741 2,742 1,746 4,747 5,752 1,761 12,762 6,766 1,771 1,775 1,777 1,778 1,781 21,782 8,783 4,784 9,790 7,794 0.75,795 2,803 1,806 1,811 1,812 3,816 1,836 1,839 1,840 3,844 1,848 27,849 1,854 5,855 1,856 1,859 1,870 4.2,873 1,874 1,877 13.5,878 8.8,879 5.861,880 2.753,881 2.965,882 1.398,883 1.009,884 5.031,885 10.421,886 3.689,887 4.301,888 4.895,889 5.535,890 6.065,891 6.435,892 6.867,893 7.236,894 7.597,895 7.734,896 1,897 41,898 9.977,900 4.27,901 7.772,902 18.931,904 15.465,905 2.272,906 61.333,910 200.109,911 84.58,912 120.929,914 36.145,917 84.58,918 236.254,919 120.929,920 8.825,921 33.513,922 70.373,923 91.084,924 33.203,925 16.427,926 188.338,928 200.109,929 205.509,930 36.145,933 202.437,934 25.145,935 11,937 64.269,938 88.678,939 50.234,941 200.109,942 157.074,943 84.58,946 200.109,947 38.279,948 49.426,949 34.674,950 119.276,951 200.109,952 157.074,953 84.58,955 0.581,956 0.334,957 0.19,958 0.102,959 21,960 9,961 0.078,962 4,963 1,964 1.095,965 3.853,966 238.355,967 0.095,968 21,969 124.382,974 17.86,975 7.605,976 3.929,977 1.22,978 140.411,979 7.162,980 12.687,981 2.679,984 2.78,986 67.571,987 441.763,988 39,993 12.893,997 -0.284,999 48.552,1000 54.813,1001 0.295,1002 0.713,1003 0.875,1004 0.893,1005 0.893,1006 0.893,1007 4.927,1008 1.413,1009 5.808,1010 5.106,1011 4.443,1012 4.987,1013 1.828,1014 6.613,1015 4.352,1016 6.131,1017 1.236,1018 7.357,1019 3.139,1020 4.007,1021 4.844,1022 0.325,1023 7.466,1024 3.909,1025 7.44,1026 1,1027 9.005,1028 3.028,1029 6.023,1030 7.216,1031 1.716,1032 10.603,1033 5.865,1034 8.784,1035 0.933,1036 10.712,1037 2.273,1038 6.399,1039 7.934,1040 0.393,1041 12.31,1042 6.248,1043 10.162,1044 0.618,1045 12.459,1046 2.136,1047 7.881,1048 9.781,1049 1.672,1050 14.973,1051 7.68,1052 11.565,1053 0.295,1054 14.234,1055 1.372,1056 8.648,1057 10.918,1058 0.384,1059 17.072,1060 8.456,1061 12.989,1062 -0.189,1063 16.032,1064 0.811,1065 9.916,1066 12.56,1067 1.667,1068 19.57,1069 9.688,1070 3.226,1071 -0.424,1072 17.848,1073 -0.498,1074 10.88,1075 13.904,1076 0.351,1077 21.848,1078 10.657,1079 2.698,1080 11.221,1081 19.679,1082 -1.086,1083 12.065,1084 15.468,1085 1.688,1086 24.29,1087 11.817,1088 2.616,1089 8.448,1090 21.522,1091 4.616,1092 13.127,1093 16.911,1094 0.312,1095 26.646,1096 12.878,1097 2.423,1098 7.647,1099 23.377,1100 3.561,1101 14.285,1102 18.447,1103 1.729,1104 29.07,1105 14.018,1106 2.203,1107 7.02,1108 25.24,1109 3.396,1110 15.396,1111 19.936,1112 0.273,1113 31.46,1114 15.123,1115 1.985,1116 6.236,1117 27.112,1118 3.135,1119 16.549,1120 21.465,1121 1.786,1122 33.878,1123 16.261,1124 1.77,1125 5.653,1126 28.99,1127 2.753,1128 17.685,1129 22.974,1130 0.236,1131 36.283,1132 17.388,1133 7990,1134 13410,1135 20.285,1136 31.279,1137 45.296,1138 45.926,1139 45.243,1140 44.852,1141 44.829,1142 58.076,1143 6.014,1144 128.179,1145 42.694,1146 5.662,1147 5.617,1148 6.603,1149 5.311,1150 5.226,1151 7.616,1152 2.117,1153 18.591,1154 5.17,1155 11.123,1156 1.51,1157 1.531,1158 1.508,1159 1.495,1160 1.494,1161 1.936,1162 0.2,1163 4.273,1164 1.423,1165 4.101,1166 4.132,1167 4.075,1168 4.011,1169 7.429,1170 4.022,1171 3.879,1172 3.95,1173 3.828,1174 3.663,1175 5.208,1176 3.695,1177 3.783,1178 3.844,1179 3.672,1180 3.565,1181 5.025,1182 3.582,1183 3.539,1184 3.592,1185 3.47,1186 3.367,1187 4.758,1188 3.383,1189 3.341,1190 3.382,1191 3.272,1192 3.136,1193 4.626,1194 3.163,1195 3.174,1196 3.264,1197 3.008,1198 2.985,1199 4.408,1200 2.975,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.936,1206 2.91,1207 2.969,1208 3.062,1209 2.847,1210 2.643,1211 3.824,1212 2.684,1213 0.155,1214 0.121,1215 0.227,1216 0.14,1217 0.108,1218 4.662,1219 0.154,1220 3.617,1221 0.035,1222 6.801,1223 0.374,1224 4.208,1225 0.106,1226 3.226,1227 4.616,1228 1.058,1229 11.221,1230 3.17,1231 2.038,1232 2.015,1233 2.096,1234 2.144,1235 1.301,1236 2.13,1237 1.713,1238 1.653,1239 1.92,1240 1.958,1241 1.167,1242 1.95,1243 1.529,1244 1.483,1245 1.705,1246 1.747,1247 0.825,1248 1.72,1249 1.466,1250 1.412,1251 1.651,1252 1.687,1253 0.785,1254 1.663,1255 1.326,1256 1.251,1257 1.513,1258 1.637,1259 0.692,1260 1.624,1261 1.167,1262 1.089,1263 1.472,1264 1.434,1265 0.63,1266 1.448,1267 1.153,1268 1.064,1269 1.455,1270 1.376,1271 0.398,1272 1.429,1273 1.113,1274 1.051,1275 1.29,1276 1.357,1277 0.24,1278 1.346,1279 4.111,1281 5.434,1282 2.398,1283 6.946,1284 4.443,1285 8.554,1286 6.26,1287 10.22,1289 1.757,1293 6.13,1295 3.837,1296 2.784,1297 5.405,1300 2.283,1305 30.267,1306 79.129,1307 191.218,1308 234.568,1309 239.323,1310 239.323,1311 239.323,1312 42.497,1313 7.455,1314 122.05,1315 122.05,1316 23,1317 12.561,1318 4.17,1319 3.322,1320 39.84,1321 91,1322 99,1323 0.209,1324 185.992,1325 311.28,1326 445.581,1327 16486,1329 18.803,1330 0.696,1331 0.557,1332 18.803,1333 15.028,1334 13.097,1335 0.437,1336 0.293,1337 8.606,1338 12.409,1339 8.427,1340 6.938,1341 13.097,1342 8.779,1343 11.986,1344 0.285,1345 0.155,1346 11.986,1347 6.498,1348 9.793,1349 0.178,1350 0.082,1351 9.793,1352 4.498,1353 8.595,1354 0.115,1355 0.043,1356 8.595,1357 3.227,1358 6.714,1359 0.071,1360 0.023,1361 6.714,1362 2.175,1363 0.319,1364 83.241,1365 0.222,1366 25.544,1367 0.606,1368 144,1369 442.029,1370 161.638,1371 424.044,1372 581.13,1373 398,1374 169,1375 430.287,1376 186.695,1377 433.265,1378 633.73,1379 407,1380 7.824}
{0 CHEMBL1668268,1 1.604,2 8,3 0.978,4 0.956,5 91.736,6 7.568,7 0.615,8 3.873,9 4.02,10 3.445,11 3.332,12 5.048,13 3.337,14 4.365,15 4.572,16 3.798,17 3.701,18 5.508,19 3.691,20 4.51,21 4.696,22 3.811,23 3.829,24 5.658,25 3.789,26 4.673,27 4.922,28 3.86,29 3.86,30 5.806,31 3.806,32 4.572,33 4.754,34 3.864,35 3.848,36 5.782,37 3.808,38 4.704,39 4.945,40 3.797,41 3.82,42 5.91,43 3.75,44 4.611,45 4.852,46 3.686,47 3.717,48 5.725,49 3.659,50 4.557,51 4.815,52 3.415,53 3.584,54 5.675,55 3.498,56 0.089,57 0.708,58 8.771,59 3.08,60 10.028,61 4.506,62 0.295,63 1.046,64 16.319,65 4.988,66 22.977,67 7.586,68 0.229,69 1.173,70 18.224,71 6.008,72 27.534,73 8.841,74 0.426,75 1.205,76 24.403,77 7.471,78 49.624,79 11.386,80 0.21,81 1.19,82 19.542,83 6.716,84 31.885,85 9.781,86 0.643,87 1.201,88 25.255,89 7.359,90 74.096,91 10.958,92 0.366,93 1.117,94 22.739,95 6.04,96 46.536,97 9.568,98 0.544,99 1.013,100 22.213,101 4.784,102 67.023,103 7.881,104 28,105 37,106 0.279,107 0.681,108 0.818,109 0.837,110 0.837,111 0.837,112 3.23,113 0.861,114 -3.45,115 -3.43,116 -3.27,119 37.2,120 1,124 2,125 1,142 3,143 3,146 1,147 2,149 1,151 1,158 1,163 1,164 1,165 1,168 1,172 4,174 1,175 8,177 1,178 3,180 4,183 4,185 1,187 6,191 1,192 2,195 2,197 1,198 2,199 9,201 1,202 2,204 5,207 3,209 3,212 3,215 1,217 3,220 3,222 1,223 5,224 4,226 2,227 4,228 1,229 2,231 1,232 3,237 1,240 1,242 2,245 1,249 2,250 4,252 1,253 1,255 2,258 1,260 1,266 2,267 1,268 1,270 1,275 846,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.698,282 20.172,283 9.262,284 16.109,285 12.866,286 12.866,287 12.866,288 12.866,289 12.866,290 9.719,291 26.273,292 4.457,293 13.431,294 3.822,295 1.507,296 0.721,297 0.611,298 0.611,299 0.611,300 3.903,304 1,305 1,306 403,307 3.391,310 61.584,311 118.781,315 101.951,318 1.167,319 23.494,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 52.5,331 192,332 4.662,333 3.617,334 6.801,335 4.207,336 3.225,337 4.616,338 1.058,339 11.221,340 3.17,341 4.053,342 3.124,343 6.008,344 3.665,345 2.698,346 3.561,347 0.916,348 8.448,349 2.609,350 3.864,351 2.822,352 5.422,353 3.466,354 2.51,355 3.396,356 0.172,357 7.214,358 2.402,359 3.722,360 2.563,361 5.381,362 3.351,363 2.387,364 3.13,366 6.98,367 2.296,368 3.433,369 2.361,370 4.994,371 3.046,372 2.106,373 2.734,375 5.857,376 1.975,377 3.217,378 2.193,379 4.884,380 2.774,381 1.822,382 2.437,384 5.112,385 1.724,386 2.974,387 2.023,388 4.418,389 2.711,390 1.755,391 2.01,393 4.511,394 1.666,395 2.635,396 1.336,397 4.013,398 2.183,399 1.237,400 1.685,402 3.121,403 1.167,404 2.443,405 1.317,406 3.377,407 1.921,408 0.933,409 1.352,411 2.273,412 0.914,413 2.118,414 0.618,415 3.05,416 1.604,417 0.618,418 0.927,420 1.372,421 0.609,422 1.586,423 0.543,424 3,425 1.22,426 0.26,427 0.325,428 0.704,429 0.248,430 1.002,431 0.301,432 2.762,433 0.614,434 -0.331,435 -0.391,436 -0.915,437 -0.311,438 0.971,439 -0.082,440 2.601,441 0.545,442 -0.431,443 -0.558,445 -1.105,446 -0.411,447 0.792,448 -0.235,449 2.46,450 0.467,451 -0.486,452 -0.604,454 -1.243,455 -0.463,456 0.685,457 -0.537,458 2.22,459 0.299,460 -0.705,461 -0.997,463 -2,464 -0.707,465 11.133,466 0.464,467 0.736,468 0.031,469 32.75,470 1.365,471 16.5,472 0.688,473 16.25,474 0.677,475 17.642,476 0.735,477 26.067,478 0.606,479 25.052,480 1.044,481 6.715,482 0.28,483 4.721,484 0.197,485 0.201,487 0.395,493 0.879,494 1.434,495 0.798,496 1.101,497 0.766,498 0.95,499 0.806,500 0.969,501 0.716,502 0.768,503 0.516,504 0.72,505 1.104,506 1.284,507 1.093,508 1.229,509 1.055,510 1.166,511 0.807,512 0.864,513 0.724,514 0.827,515 0.897,516 0.772,517 1.043,518 1.476,519 1.015,520 1.422,521 1.334,522 1.253,523 1.018,524 0.805,525 1.034,526 0.97,527 1.402,528 1.018,529 1.325,530 1.245,531 1.068,532 1.092,533 1.355,534 1.054,535 1.74,536 0.88,537 1.491,538 0.924,539 1.787,540 1.127,541 6,542 0.04,543 2.222,544 1.972,545 1.764,546 1.007,547 0.771,548 0.327,549 0.282,550 0.111,551 5517,552 15376,553 2.015,554 44.2,556 11,557 1,559 4,560 3,564 1.678,565 1.846,566 3.012,567 1.86,569 1,571 1,573 68.967,574 1.604,575 3.919,576 4.705,577 4.815,578 4.815,579 4.815,580 2.44,581 4.085,582 4.554,583 3.179,584 877.49,585 7.908,586 10178.1,588 1,591 233.329,592 1.528,593 4.493,594 0.231,595 0.01,596 0.06,597 0.055,598 0.046,599 0.027,600 0.023,601 0.011,602 0.013,603 0.008,604 0.485,605 0.17,606 1,607 1.045,608 111.682,609 -0.07,610 -0.158,611 0.034,612 -0.034,613 -0.125,614 0.012,615 0.095,616 0.169,617 0.199,618 0.236,619 0.151,620 0.239,621 -0.179,622 -0.139,623 -0.205,624 -0.191,625 -0.132,626 -0.198,627 0.162,628 0.093,629 0.256,630 0.186,631 0.184,632 0.234,633 -0.029,634 -0.387,635 -0.112,636 -0.36,637 -0.063,638 -0.265,639 0.2,640 0.167,641 -0.037,642 -0.009,643 0.038,644 -0.067,645 -0.182,646 -0.273,647 -0.079,648 -0.134,649 -0.099,650 -0.101,651 -0.432,652 0.117,653 -0.474,654 -0.069,655 -0.421,656 -0.252,657 1.954,658 5.707,659 0.625,660 19.188,661 1.008,662 1.144,663 2.217,664 4.915,665 0.653,666 3.296,667 3.638,668 3.871,669 4.19,670 4.394,671 4.522,672 4.663,673 4.691,674 4.736,675 4.585,676 5.236,677 0.628,678 325.42,679 3.296,680 4.844,681 5.687,682 6.581,683 7.449,684 8.35,685 9.232,686 10.135,687 11.025,688 11.929,689 16.3,692 1,693 1,696 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,718 1,722 1,731 43,733 17,734 1,735 26,737 45,738 16,739 11,740 4,741 2,742 1,746 3,747 4,752 1,761 12,762 4,766 1,771 1,775 1,777 1,778 1,781 19,782 7,783 4,784 8,790 7,794 0.667,795 1,803 1,806 1,811 1,812 2,816 1,836 1,840 2,844 3,848 24,849 1,854 1,855 1,859 1,870 2.3,873 1,877 13,878 8.633,879 5.194,880 2.286,881 3.022,882 1.432,883 0.991,884 4.469,885 10.009,886 3.584,887 4.23,888 4.833,889 5.495,890 6.027,891 6.404,892 6.822,893 7.153,894 7.485,895 7.543,896 1,897 36,898 8.827,900 3.701,901 7.826,902 16.545,904 13.104,905 2.326,906 55.833,910 176.567,911 87.976,912 120.929,914 25.145,917 87.976,918 201.711,919 120.929,920 25.618,921 20.116,922 70.373,923 80.084,924 33.203,925 16.427,926 164.795,928 176.567,929 208.906,930 25.145,933 178.894,934 25.145,937 50.873,938 105.471,939 50.234,941 176.567,942 146.074,943 87.976,946 176.567,947 24.882,948 66.218,949 34.674,950 108.276,951 176.567,952 146.074,953 87.976,955 0.586,956 0.324,957 0.187,958 0.101,959 18,960 9,961 0.089,962 4,963 1,964 1.133,965 3.47,966 198.559,967 0.133,968 15,969 104.039,974 16.367,975 6.553,976 3.555,977 1.211,978 129.411,979 7.074,980 12.561,981 2.662,984 2.745,986 67.571,987 410.617,988 35,993 12.707,997 -0.287,999 43.342,1000 49.189,1001 0.296,1002 0.722,1003 0.867,1004 0.887,1005 0.887,1006 0.887,1007 4.82,1008 1.237,1009 5.694,1010 4.511,1011 4.317,1012 4.916,1013 1.557,1014 6.515,1015 4.242,1016 6.054,1017 0.933,1018 7.258,1019 3.121,1020 4.007,1021 4.844,1022 0.325,1023 7.413,1024 3.909,1025 7.375,1026 0.618,1027 8.919,1028 2.273,1029 5.916,1030 7.185,1031 1.496,1032 10.536,1033 5.782,1034 8.731,1035 0.26,1036 10.636,1037 1.372,1038 6.365,1039 7.927,1040 0.393,1041 12.265,1042 6.222,1043 10.118,1044 -0.331,1045 12.391,1046 0.704,1047 7.792,1048 9.768,1049 1.507,1050 14.932,1051 7.619,1052 11.527,1053 -0.431,1054 14.173,1055 -0.915,1056 8.603,1057 10.913,1058 0.384,1059 17.043,1060 8.427,1061 12.956,1062 -0.486,1063 15.977,1064 -1.105,1065 9.846,1066 12.555,1067 1.547,1068 19.547,1069 9.646,1070 3.225,1071 -0.705,1072 17.799,1073 -1.243,1074 10.836,1075 13.902,1076 0.351,1077 21.832,1078 10.632,1079 2.698,1080 11.221,1081 19.635,1082 -2,1083 12.011,1084 15.466,1085 1.603,1086 24.278,1087 11.789,1088 2.51,1089 8.448,1090 21.484,1091 4.616,1092 13.089,1093 16.91,1094 0.312,1095 26.638,1096 12.859,1097 2.387,1098 7.214,1099 23.343,1100 3.561,1101 14.245,1102 18.447,1103 1.67,1104 29.063,1105 14,1106 2.106,1107 6.98,1108 25.211,1109 3.396,1110 15.365,1111 19.935,1112 0.273,1113 31.455,1114 15.109,1115 1.822,1116 5.857,1117 27.087,1118 3.13,1119 16.519,1120 21.464,1121 1.744,1122 33.874,1123 16.249,1124 1.755,1125 5.112,1126 28.969,1127 2.734,1128 17.661,1129 22.974,1130 0.236,1131 36.28,1132 17.378,1133 5489,1134 9309,1135 16.819,1136 28.063,1137 39.798,1138 39.951,1139 40.078,1140 39.141,1141 39.099,1142 52.35,1143 4.294,1144 113.626,1145 37.559,1146 5.508,1147 5.617,1148 6.415,1149 5.28,1150 5.225,1151 7.616,1152 2.117,1153 18.591,1154 5.17,1155 13.487,1156 1.531,1157 1.537,1158 1.541,1159 1.505,1160 1.504,1161 2.013,1162 0.165,1163 4.37,1164 1.445,1165 4.098,1166 4.129,1167 4.073,1168 4.01,1169 7.429,1170 4.021,1171 3.879,1172 3.95,1173 3.828,1174 3.663,1175 5.208,1176 3.695,1177 3.647,1178 3.728,1179 3.547,1180 3.448,1181 5.024,1182 3.464,1183 3.483,1184 3.544,1185 3.396,1186 3.27,1187 4.757,1188 3.288,1189 3.3,1190 3.358,1191 3.19,1192 3.101,1193 4.453,1194 3.116,1195 3.119,1196 3.214,1197 2.962,1198 2.909,1199 4.219,1200 2.902,1201 2.877,1202 3.009,1203 2.727,1204 2.618,1205 3.868,1206 2.629,1207 2.874,1208 2.978,1209 2.499,1210 2.595,1211 3.737,1212 2.57,1213 0.179,1214 0.139,1215 0.262,1216 0.162,1217 0.124,1218 4.662,1219 0.178,1220 3.617,1221 0.041,1222 6.801,1223 0.432,1224 4.207,1225 0.122,1226 3.225,1227 4.616,1228 1.058,1229 11.221,1230 3.17,1231 2.037,1232 2.014,1233 2.093,1234 2.142,1235 1.267,1236 2.128,1237 1.595,1238 1.522,1239 1.826,1240 1.841,1241 0.94,1242 1.843,1243 1.521,1244 1.474,1245 1.688,1246 1.741,1247 0.739,1248 1.711,1249 1.412,1250 1.34,1251 1.646,1252 1.687,1253 0.684,1254 1.656,1255 1.311,1256 1.228,1257 1.469,1258 1.59,1259 0.534,1260 1.598,1261 1.152,1262 1.075,1263 1.417,1264 1.426,1265 0.469,1266 1.43,1267 1.047,1268 0.98,1269 1.415,1270 1.275,1271 0.397,1272 1.308,1273 0.934,1274 0.804,1275 1.258,1276 1.239,1277 0.225,1278 1.276,1279 3.97,1281 5.303,1282 2.398,1283 6.815,1284 4.443,1285 8.425,1286 6.26,1287 10.099,1289 5.671,1293 6.048,1295 0.673,1296 2.754,1300 2.016,1305 27.025,1306 68.967,1307 168.521,1308 202.31,1309 207.065,1310 207.065,1311 207.065,1312 39.787,1313 6.987,1314 112.82,1315 112.82,1316 17,1317 12.451,1318 4.17,1319 3.322,1320 38.857,1321 72,1322 72,1323 0.262,1324 170.205,1325 280.25,1326 407.06,1327 8740,1329 17.267,1330 0.719,1331 0.575,1332 17.267,1333 13.791,1334 11.436,1335 0.44,1336 0.287,1337 7.321,1338 10.878,1339 7.033,1340 5.932,1341 11.436,1342 7.464,1343 10.876,1344 0.294,1345 0.158,1346 10.876,1347 5.847,1348 8.206,1349 0.175,1350 0.074,1351 8.206,1352 3.487,1353 7.367,1354 0.113,1355 0.04,1356 7.367,1357 2.574,1358 5.51,1359 0.069,1360 0.02,1361 5.51,1362 1.616,1363 0.393,1364 72.44,1365 0.244,1366 22.902,1367 0.773,1368 126,1369 380.294,1370 140.093,1371 374.193,1372 512.21,1373 348,1374 147,1375 383.947,1376 161.261,1377 392.71,1378 568.15,1379 365,1380 6.726}
{0 CHEMBL1668269,1 1.582,2 8.818,3 1.053,4 1.109,5 81.627,6 7.929,7 0.708,8 3.722,9 3.85,10 3.337,11 3.272,12 4.939,13 3.269,14 4.183,15 4.353,16 3.702,17 3.618,18 5.401,19 3.603,20 4.374,21 4.557,22 3.758,23 3.718,24 5.598,25 3.703,26 4.413,27 4.609,28 3.687,29 3.674,30 5.684,31 3.633,32 4.387,33 4.602,34 3.559,35 3.576,36 5.633,37 3.531,38 4.258,39 4.472,40 3.42,41 3.47,42 5.538,43 3.402,44 4.22,45 4.47,46 3.206,47 3.371,48 5.324,49 3.286,50 3.985,51 4.22,52 3.074,53 3.227,54 5.046,55 3.138,56 0.048,57 0.591,58 6.618,59 2.845,60 8.64,61 3.657,62 0.161,63 0.895,64 11.951,65 4.79,66 19.247,67 6.482,68 0.227,69 1.054,70 15.03,71 4.965,72 28.304,73 6.562,74 0.26,75 1.024,76 16.412,77 5.817,78 36.676,79 7.785,80 0.289,81 0.94,82 17.179,83 5.576,84 47.244,85 7.48,86 0.307,87 0.831,88 14.889,89 5.227,90 46.057,91 7.08,92 0.303,93 0.768,94 15.753,95 4.903,96 44.843,97 6.703,98 0.147,99 0.632,100 11.726,101 4.218,102 26.474,103 5.873,104 17,105 34,106 0.283,107 0.669,108 0.79,109 0.875,110 0.875,111 0.875,112 3.147,113 0.852,114 -3.25,115 -3.24,116 -3.11,119 43.2,120 2,142 5,143 2,144 1,145 1,146 2,147 1,149 1,158 1,163 1,164 1,165 1,172 5,174 1,175 8,177 1,178 2,180 3,183 5,185 1,187 5,190 1,192 3,195 3,197 1,198 1,199 6,201 1,202 2,204 5,207 3,209 3,211 1,212 4,217 3,220 4,222 1,223 1,224 3,226 1,227 2,228 1,229 1,231 1,232 4,236 1,237 4,245 4,250 2,255 1,258 3,260 1,262 1,263 3,265 1,266 1,268 1,271 3,273 1,275 632,276 14.585,277 14.585,278 14.585,279 14.585,280 14.585,281 12.361,282 15.533,283 8.499,284 14.837,285 11.832,286 11.832,287 11.832,288 11.832,289 11.832,290 8.51,291 18.05,292 4.043,293 12.23,294 3.627,295 1.463,296 0.787,297 0.311,298 0.311,299 0.311,300 3.825,304 1,305 1,306 415,307 2.739,311 173.818,315 90.898,318 1.306,319 22.669,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 194,332 4.635,333 3.61,334 6.779,335 4.174,336 3.193,337 4.585,338 1.058,339 11.112,340 3.133,341 4.077,342 3.079,343 6.001,344 3.685,345 2.714,346 3.642,348 8.417,349 2.631,350 3.914,351 2.697,352 5.434,353 3.481,354 2.507,355 3.421,357 7.146,358 2.438,359 3.537,360 2.36,361 5.016,362 3.092,363 2.142,364 2.941,366 5.94,367 2.031,368 3.431,369 2.262,370 4.992,371 3.035,372 2.077,373 2.734,375 5.811,376 1.986,377 3.149,378 2.169,379 4.797,380 2.68,381 1.706,382 2.351,384 4.983,385 1.65,386 2.882,387 1.434,388 3.959,389 2.385,390 1.393,391 2.055,393 3.195,394 1.38,395 2.5,396 1.304,397 3.771,398 2.018,399 1.029,400 1.5,402 2.753,403 1.011,404 2.491,405 1,406 3.414,407 1.959,408 1,409 1.44,411 2.275,412 0.956,413 1.425,414 0.656,415 2.856,416 1.087,417 0.13,418 0.159,420 0.31,421 0.123,422 1.364,423 0.206,424 2.699,425 0.909,426 -0.064,427 -0.086,428 -0.154,429 -0.062,430 0.962,431 -0.072,432 2.454,433 0.488,434 -0.455,435 -0.584,436 -1.164,437 -0.426,438 0.747,439 -0.236,440 2.281,441 0.35,442 -0.629,443 -0.779,445 -1.557,446 -0.612,447 0.676,448 -0.551,449 2,450 0.297,451 -0.725,452 -1.021,454 -1.69,455 -0.738,456 0.5,457 -0.747,458 1.872,459 0.051,460 -0.925,461 -1.234,463 -2.51,464 -0.904,465 10.333,466 0.47,467 0.63,468 0.029,469 33,470 1.5,471 18.5,472 0.841,473 14.5,474 0.659,475 13.84,476 0.629,477 22.667,478 0.613,479 23.048,480 1.048,481 6.605,482 0.3,483 3.937,484 0.179,485 0.168,487 0.387,493 0.846,494 1.249,495 0.752,496 0.961,497 0.772,498 0.851,499 0.564,500 1.138,501 0.643,502 0.949,503 0.52,504 0.833,505 1.304,506 1.101,507 1.04,508 0.945,509 1.09,510 0.934,511 1.083,512 1.13,513 1.025,514 1.15,515 1.141,516 1.093,517 1.417,518 1.044,519 1.064,520 1.013,521 1.609,522 0.992,523 1.002,524 0.945,525 1.053,526 1.083,527 1.143,528 1.089,529 1.454,530 0.721,531 1.111,532 0.763,533 1.559,534 0.871,535 0.972,536 1.062,537 0.953,538 0.995,539 1.053,540 0.99,541 5,542 0.095,543 2.667,544 1.688,545 1.52,546 0.813,547 0.344,548 0.255,549 0.217,550 0.112,551 4704,552 13179,553 2.043,554 40.5,556 5,558 1,559 3,560 6,564 1.647,565 1.886,566 3.115,567 1.069,568 1,569 1,571 1,573 58.537,574 1.582,575 3.746,576 4.422,577 4.898,578 4.898,579 4.898,580 2.534,581 3.823,582 4.432,583 3.254,584 751.731,585 7.621,586 8109.01,587 1,588 1,591 192.75,592 1.495,593 4.376,594 0.208,595 0.016,596 0.078,597 0.048,598 0.049,599 0.03,600 0.015,601 0.013,602 0.013,603 0.009,604 0.48,605 0.67,606 1,607 0.65,608 100.17,609 -0.119,610 -0.092,611 0.019,612 0.021,613 -0.158,614 0.042,615 0.229,616 -0.062,617 0.216,618 0.034,619 0.143,620 0.102,621 -0.232,622 0.003,623 -0.146,624 -0.027,625 -0.151,626 -0.057,627 0.034,628 -0.118,629 -0.085,630 -0.195,631 0.048,632 -0.165,633 -0.125,634 -0.084,635 -0.065,636 -0.056,637 -0.098,638 -0.048,639 0.163,640 0.015,641 -0.071,642 -0.11,643 0.143,644 -0.13,645 -0.237,646 0.196,647 -0.065,648 0.207,649 -0.228,650 0.114,651 -0.086,652 -0.151,653 0.033,654 0.02,655 -0.084,656 0.033,657 1.922,658 5.495,659 0.727,660 14.909,661 1.007,662 1.129,663 2.025,664 4.1,665 0.684,666 3.219,667 3.555,668 3.807,669 4.078,670 4.317,671 4.304,672 4.331,673 4.407,674 4.419,675 4.394,676 5.275,677 0.661,678 293.36,679 3.219,680 4.762,681 5.609,682 6.494,683 7.361,684 8.248,685 9.123,686 10.013,687 10.892,688 11.783,689 13.5,693 1,696 1,699 3,703 2,704 6,705 3,709 5,711 17,718 1,722 1,731 37,733 18,734 1,735 24,737 39,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 14,762 2,766 1,771 1,775 1,777 1,778 1,781 15,782 6,783 3,784 6,790 5,794 0.667,795 1,805 1,806 1,812 3,816 1,840 2,844 2,848 22,849 1,855 1,870 2.7,873 1,877 11.667,878 7.35,879 4.778,880 2.067,881 3.338,882 1.486,883 1.006,884 3.636,885 10.209,886 3.541,887 4.205,888 4.82,889 5.448,890 6.04,891 6.27,892 6.595,893 6.963,894 7.269,895 7.382,896 0.833,897 35,898 8.084,900 3.421,901 7.856,902 15.096,904 12.038,905 2.356,906 51.833,910 141.253,911 96.856,912 101.265,914 25.145,917 96.856,918 166.398,919 101.265,920 17.65,921 18.011,922 80.278,923 91.977,924 24.792,925 2.328,926 129.482,928 141.253,929 198.12,930 25.145,933 143.581,934 25.145,937 49.609,938 95.826,939 50.357,941 141.253,942 126.409,943 96.856,946 141.253,947 22.777,948 74.079,949 18.011,950 108.399,951 141.253,952 126.409,953 96.856,955 0.588,956 0.341,957 0.186,958 0.106,959 17,960 8,961 0.051,962 2,963 1,964 1.125,965 3.359,966 173.716,967 0.125,968 16,969 98.107,974 14.27,975 5.605,976 2.869,977 1.213,978 126.409,979 10.537,980 12.623,984 2.873,986 50.908,987 364.518,988 33.5,993 12.495,997 -0.256,999 37.254,1000 41.777,1001 0.304,1002 0.719,1003 0.849,1004 0.94,1005 0.94,1006 0.94,1007 4.764,1008 1.029,1009 5.609,1010 3.195,1011 4.234,1012 4.89,1013 1.176,1014 6.425,1015 4.173,1016 6.005,1017 1,1018 7.174,1019 2.753,1020 3.892,1021 4.796,1023 7.334,1024 3.816,1025 7.328,1026 0.13,1027 8.837,1028 2.275,1029 5.832,1030 7.178,1031 1.255,1032 10.444,1033 5.715,1034 8.687,1035 -0.064,1036 10.556,1037 0.31,1038 6.256,1039 7.876,1041 12.19,1042 6.132,1043 10.075,1044 -0.455,1045 12.314,1046 -0.154,1047 7.709,1048 9.762,1049 1.338,1050 14.845,1051 7.551,1052 11.485,1053 -0.629,1054 14.1,1055 -1.164,1056 8.503,1057 10.864,1059 16.963,1060 8.339,1061 12.913,1062 -0.725,1063 15.907,1064 -1.557,1065 9.76,1066 12.536,1067 1.422,1068 19.458,1069 9.569,1070 3.193,1071 -0.925,1072 17.732,1073 -1.69,1074 10.736,1075 13.849,1077 21.74,1078 10.537,1079 2.714,1080 11.112,1081 19.571,1082 -2.51,1083 11.916,1084 15.428,1085 1.51,1086 24.177,1087 11.694,1088 2.507,1089 8.417,1090 21.422,1091 4.585,1092 12.982,1093 16.847,1095 26.53,1096 12.748,1097 2.142,1098 7.146,1099 23.283,1100 3.642,1101 14.136,1102 18.387,1103 1.599,1104 28.947,1105 13.882,1106 2.077,1107 5.94,1108 25.152,1109 3.421,1110 15.245,1111 19.859,1113 31.329,1114 14.977,1115 1.706,1116 5.811,1117 27.028,1118 2.941,1119 16.392,1120 21.385,1121 1.69,1122 33.739,1123 16.105,1124 1.393,1125 4.983,1126 28.909,1127 2.734,1128 17.523,1129 22.882,1131 36.135,1132 17.22,1133 4618,1134 7850,1135 15.72,1136 25.29,1137 36.164,1138 37.01,1139 37.369,1140 35.775,1141 35.784,1142 49.66,1143 2.117,1144 103.883,1145 34.678,1146 5.462,1147 5.61,1148 6.289,1149 5.246,1150 5.193,1151 7.585,1152 2.117,1153 18.459,1154 5.133,1155 11.457,1156 1.507,1157 1.542,1158 1.557,1159 1.491,1160 1.491,1161 2.069,1162 0.088,1163 4.328,1164 1.445,1165 4.083,1166 4.113,1167 4.057,1168 3.992,1169 7.429,1170 4.003,1171 3.885,1172 3.929,1173 3.831,1174 3.771,1175 5.21,1176 3.779,1177 3.537,1178 3.591,1179 3.476,1180 3.362,1181 4.888,1182 3.381,1183 3.352,1184 3.409,1185 3.259,1186 3.163,1187 4.761,1188 3.179,1189 3.168,1190 3.261,1191 3.017,1192 2.996,1193 4.431,1194 2.988,1195 3.047,1196 3.12,1197 2.875,1198 2.853,1199 4.042,1200 2.846,1201 2.806,1202 2.905,1203 2.653,1204 2.605,1205 3.802,1206 2.6,1207 2.769,1208 2.856,1209 2.625,1210 2.495,1211 3.788,1212 2.532,1213 0.193,1214 0.15,1215 0.282,1216 0.174,1217 0.133,1218 4.635,1219 0.191,1220 3.61,1221 0.044,1222 6.779,1223 0.463,1224 4.174,1225 0.131,1226 3.193,1227 4.585,1228 1.058,1229 11.112,1230 3.133,1231 2.024,1232 2,1233 2.082,1234 2.133,1235 1.197,1236 2.118,1237 1.846,1238 1.806,1239 1.964,1240 1.986,1241 1.015,1242 1.981,1243 1.483,1244 1.426,1245 1.698,1246 1.685,1247 0.74,1248 1.685,1249 1.299,1250 1.243,1251 1.557,1252 1.533,1253 0.62,1254 1.538,1255 1.155,1256 1.084,1257 1.408,1258 1.413,1259 0.382,1260 1.428,1261 1.022,1262 0.955,1263 1.254,1264 1.277,1265 0.259,1266 1.282,1267 0.783,1268 0.703,1269 1.07,1270 1.058,1271 0.105,1272 1.065,1273 0.699,1274 0.602,1275 1.014,1276 0.995,1278 1.019,1279 3.892,1281 5.22,1283 6.749,1285 8.373,1287 10.049,1289 3.632,1293 5.902,1296 2.814,1305 24.456,1306 58.537,1307 138.611,1308 163.63,1309 181.24,1310 181.24,1311 181.24,1312 34.012,1313 6.871,1314 93.79,1315 93.79,1316 18,1317 12.314,1318 4.248,1319 3.392,1320 34.417,1321 68,1322 78,1323 0.248,1324 153.689,1325 255.61,1326 366.761,1327 8102,1329 15.69,1330 0.713,1331 0.559,1332 15.69,1333 12.291,1334 10.542,1335 0.439,1336 0.284,1337 6.726,1338 10.171,1339 6.491,1340 5.438,1341 10.542,1342 6.812,1343 9.815,1344 0.289,1345 0.147,1346 9.815,1347 5,1348 7.926,1349 0.18,1350 0.075,1351 7.926,1352 3.282,1353 6.733,1354 0.116,1355 0.038,1356 6.733,1357 2.215,1358 5.505,1359 0.074,1360 0.02,1361 5.505,1362 1.508,1363 0.381,1364 65.795,1365 0.252,1366 21.449,1367 0.706,1368 116,1369 346.316,1370 127.234,1371 343.227,1372 473.51,1373 320,1374 136,1375 356.834,1376 146.681,1377 363.942,1378 528.7,1379 342,1380 6.951}
{0 CHEMBL1668270,1 1.557,2 8.826,3 1.539,4 2.369,5 86.669,6 7.685,7 0.68,8 3.789,9 3.92,10 3.378,11 3.337,12 4.982,13 3.326,14 4.265,15 4.446,16 3.752,17 3.691,18 5.443,19 3.668,20 4.445,21 4.622,22 3.833,23 3.819,24 5.643,25 3.796,26 4.543,27 4.74,28 3.807,29 3.811,30 5.788,31 3.761,32 4.568,33 4.792,34 3.667,35 3.722,36 5.789,37 3.672,38 4.408,39 4.621,40 3.59,41 3.654,42 5.639,43 3.582,44 4.426,45 4.657,46 3.352,47 3.6,48 5.543,49 3.495,50 4.365,51 4.668,52 3.149,53 3.433,54 5.265,55 3.29,56 0.038,57 0.63,58 7.582,59 3.178,60 8.595,61 4.227,62 0.16,63 0.958,64 13.823,65 5.377,66 20.194,67 7.476,68 0.203,69 1.138,70 16.519,71 5.575,72 26.368,73 7.581,74 0.213,75 1.163,76 19.13,77 6.947,78 34.895,79 9.585,80 0.39,81 1.104,82 21.615,83 6.392,84 62.479,85 8.734,86 0.288,87 0.975,88 17.508,89 6.353,90 45.182,91 8.8,92 0.307,93 0.975,94 18.432,95 5.861,96 48.959,97 8.123,98 0.235,99 0.837,100 19.61,101 6.362,102 40.098,103 9.552,104 26,105 36,106 0.274,107 0.662,108 0.766,109 0.864,110 0.864,111 0.864,112 3.189,113 0.867,114 -3.5,115 -3.47,116 -3.32,119 42.5,120 3,142 4,143 3,144 1,145 1,146 2,147 1,149 1,158 1,163 1,164 1,165 1,172 6,174 1,175 8,177 1,178 2,180 3,183 7,185 1,187 5,190 1,192 3,195 4,197 1,198 1,199 8,201 1,202 2,204 6,207 4,209 3,211 1,212 4,217 3,220 4,222 1,223 1,224 4,226 1,227 2,228 1,229 2,231 1,232 6,234 1,236 1,237 5,245 5,250 2,255 1,258 3,260 1,262 1,263 3,265 1,266 1,268 1,271 4,273 1,275 730,276 15.085,277 15.085,278 15.085,279 15.085,280 15.085,281 12.808,282 17.958,283 8.685,284 15.337,285 12.305,286 12.305,287 12.305,288 12.305,289 12.305,290 8.903,291 20.246,292 4.124,293 12.703,294 3.765,295 1.56,296 0.963,297 0.407,298 0.407,299 0.407,300 3.864,303 1,304 1,305 1,306 432,307 2.828,311 182.113,315 95.985,318 1.255,319 23.518,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 203,332 4.686,333 3.645,334 6.917,335 4.242,336 3.257,337 4.635,338 1.058,339 11.588,340 3.211,341 4.11,342 3.096,343 6.149,344 3.713,345 2.742,346 3.665,348 8.829,349 2.658,350 3.973,351 2.706,352 5.463,353 3.535,354 2.567,355 3.551,357 7.259,358 2.483,359 3.555,360 2.568,361 5.031,362 3.139,363 2.174,364 2.952,366 5.964,367 2.096,368 3.456,369 2.288,370 4.993,371 3.049,372 2.095,373 2.755,375 5.837,376 1.992,377 3.242,378 2.241,379 4.948,380 2.825,381 1.836,382 2.532,384 5.316,385 1.814,386 3.149,387 1.922,388 4.696,389 2.677,390 1.706,391 2.335,393 4.796,394 1.641,395 2.549,396 1.308,397 3.912,398 2.089,399 1.102,400 1.537,402 2.837,403 1.083,404 2.5,405 1,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.956,413 1.448,414 0.681,415 3.058,416 1.137,417 0.185,418 0.22,420 0.466,421 0.175,422 1.367,423 0.377,424 2.755,425 0.909,426 -0.061,427 -0.082,428 -0.153,429 -0.059,430 1.261,431 0.113,432 2.668,433 0.885,434 -0.116,435 -0.151,436 -0.274,437 -0.115,438 0.821,439 -0.096,440 2.433,441 0.423,442 -0.507,443 -0.614,445 -1.248,446 -0.471,447 0.696,448 -0.247,449 2,450 0.34,451 -0.676,452 -0.863,454 -1.614,455 -0.68,456 0.5,457 -0.699,458 2,459 0.076,460 -0.91,461 -1.226,463 -2.548,464 -0.896,465 10.833,466 0.471,467 0.72,468 0.031,469 33.5,470 1.457,471 18.5,472 0.804,473 15,474 0.652,475 16.22,476 0.705,477 23.967,478 0.599,479 24.038,480 1.045,481 6.661,482 0.29,483 4.291,484 0.187,485 0.206,487 0.415,493 0.839,494 1.263,495 0.778,496 0.992,497 0.777,498 0.886,499 0.546,500 1.087,501 0.609,502 0.892,503 0.497,504 0.782,505 1.283,506 1.122,507 1.045,508 0.979,509 1.104,510 0.963,511 0.95,512 1.244,513 0.973,514 1.241,515 0.998,516 1.135,517 1.782,518 0.929,519 1.171,520 0.889,521 1.998,522 0.936,523 0.878,524 1.014,525 0.962,526 1.093,527 0.974,528 1.062,529 1.507,530 0.952,531 1.377,532 1.064,533 1.593,534 1.183,535 0.806,536 0.79,537 0.786,538 0.751,539 0.817,540 0.769,541 5.5,542 0.095,543 2.889,544 2.125,545 1.711,546 1.118,547 0.465,548 0.271,549 0.262,550 0.112,551 5101,552 13846,553 2.016,554 42.5,555 3,556 4,558 1,559 3,560 6,564 1.661,565 1.84,566 3.093,567 1.032,568 1,569 1,571 1,573 62.294,574 1.557,575 3.762,576 4.359,577 4.915,578 4.915,579 4.915,580 2.512,581 4.35,582 4.496,583 3.245,584 821.057,585 7.761,586 9080.7,587 1,588 1,590 1,591 212.877,592 1.538,593 4.428,594 0.22,595 0.016,596 0.08,597 0.056,598 0.049,599 0.037,600 0.017,601 0.013,602 0.015,603 0.009,604 0.511,605 0.5,606 1,607 0.675,608 105.872,609 -0.104,610 -0.09,611 0.023,612 0.016,613 -0.153,614 0.038,615 0.249,616 -0.009,617 0.276,618 0.109,619 0.168,620 0.178,621 -0.216,622 0.008,623 -0.151,624 -0.039,625 -0.169,626 -0.071,627 0.11,628 -0.226,629 -0.037,630 -0.266,631 0.129,632 -0.189,633 -0.265,634 0.049,635 -0.148,636 0.042,637 -0.231,638 -0.02,639 0.203,640 -0.043,641 0.001,642 -0.101,643 0.217,644 -0.089,645 -0.322,646 0.035,647 -0.392,648 -0.118,649 -0.328,650 -0.244,651 0.018,652 0.036,653 0.277,654 0.255,655 0.022,656 0.294,657 1.906,658 5.716,659 0.696,660 15.902,661 1.003,662 1.13,663 2.268,664 5.144,665 0.676,666 3.258,667 3.611,668 3.871,669 4.159,670 4.394,671 4.443,672 4.419,673 4.543,674 4.511,675 4.477,676 5.27,677 0.65,678 307.39,679 3.258,680 4.812,681 5.666,682 6.561,683 7.435,684 8.335,685 9.217,686 10.12,687 11.007,688 11.912,689 12.5,693 1,696 1,699 3,703 2,704 5,705 3,709 6,711 17,718 1,722 1,731 40,733 18,734 1,735 25,737 42,738 17,739 13,740 4,741 2,742 1,746 3,747 4,752 3,761 14,762 3,766 1,771 1,775 1,777 1,778 1,781 17,782 6,783 3,784 6,790 5,794 0.667,795 1,805 1,806 1,812 3,816 1,840 2,844 3,848 23,849 1,855 1,870 2.5,873 1,877 12.5,878 8.267,879 4.972,880 2.268,881 3.351,882 1.482,883 0.999,884 3.869,885 10.31,886 3.57,887 4.248,888 4.868,889 5.509,890 6.102,891 6.386,892 6.674,893 7.093,894 7.343,895 7.47,896 0.833,897 38,898 8.465,900 3.578,901 7.826,902 15.871,904 12.686,905 2.326,906 53.5,910 164.795,911 99.39,912 101.265,914 25.145,917 99.39,918 189.94,919 101.265,920 26.476,921 18.011,922 70.802,923 91.977,924 27.977,925 2.328,926 153.024,928 164.795,929 200.655,930 25.145,933 167.123,934 25.145,937 58.435,938 89.536,939 50.357,941 164.795,942 126.409,943 99.39,946 164.795,947 25.962,948 73.428,949 18.011,950 108.399,951 164.795,952 126.409,953 99.39,955 0.593,956 0.345,957 0.19,958 0.107,959 18,960 9,961 0.048,962 2,963 1,964 1.125,965 3.384,966 187.377,967 0.125,968 16,969 104.042,974 15.229,975 5.843,976 2.952,977 1.237,978 126.409,979 8.969,980 12.736,984 3.759,986 50.908,987 390.595,988 34.5,993 12.716,997 -0.24,999 40.138,1000 45.192,1001 0.293,1002 0.707,1003 0.819,1004 0.924,1005 0.924,1006 0.924,1007 4.806,1008 1.102,1009 5.68,1010 4.796,1011 4.29,1012 4.934,1013 1.176,1014 6.518,1015 4.232,1016 6.058,1017 1,1018 7.261,1019 2.837,1020 4.007,1021 4.902,1023 7.479,1024 3.94,1025 7.391,1026 0.185,1027 8.939,1028 2.275,1029 5.911,1030 7.238,1031 1.255,1032 10.602,1033 5.804,1034 8.76,1035 -0.061,1036 10.674,1037 0.466,1038 6.382,1039 7.979,1041 12.406,1042 6.274,1043 10.156,1044 -0.116,1045 12.447,1046 -0.153,1047 7.816,1048 9.838,1049 1.338,1050 15.083,1051 7.675,1052 11.574,1053 -0.507,1054 14.249,1055 -0.274,1056 8.648,1057 10.97,1059 17.261,1060 8.508,1061 13.01,1062 -0.676,1063 16.073,1064 -1.248,1065 9.902,1066 12.631,1067 1.422,1068 19.785,1069 9.738,1070 3.257,1071 -0.91,1072 17.916,1073 -1.614,1074 10.911,1075 13.965,1077 22.122,1078 10.745,1079 2.742,1080 11.588,1081 19.774,1082 -2.548,1083 12.099,1084 15.542,1085 1.51,1086 24.593,1087 11.915,1088 2.567,1089 8.829,1090 21.644,1091 4.635,1092 13.191,1093 16.978,1095 26.995,1096 13.002,1097 2.174,1098 7.259,1099 23.525,1100 3.665,1101 14.359,1102 18.522,1103 1.599,1104 29.448,1105 14.156,1106 2.095,1107 5.964,1108 25.415,1109 3.551,1110 15.492,1111 20.007,1113 31.877,1114 15.281,1115 1.836,1116 5.837,1117 27.311,1118 2.952,1119 16.657,1120 21.54,1121 1.69,1122 34.326,1123 16.433,1124 1.706,1125 5.316,1126 29.214,1127 2.755,1128 17.81,1129 23.049,1131 36.766,1132 17.576,1133 5039,1134 8425,1135 16.126,1136 27.051,1137 37.736,1138 38.701,1139 39.56,1140 37.288,1141 37.325,1142 51.364,1143 2.117,1144 110.335,1145 36.219,1146 5.518,1147 5.645,1148 6.332,1149 5.315,1150 5.257,1151 7.635,1152 2.117,1153 19.009,1154 5.211,1155 13.062,1156 1.509,1157 1.548,1158 1.582,1159 1.492,1160 1.493,1161 2.055,1162 0.085,1163 4.413,1164 1.449,1165 4.094,1166 4.123,1167 4.069,1168 4.008,1169 7.429,1170 4.019,1171 3.885,1172 3.93,1173 3.831,1174 3.771,1175 5.209,1176 3.779,1177 3.576,1178 3.632,1179 3.51,1180 3.413,1181 4.888,1182 3.428,1183 3.359,1184 3.414,1185 3.273,1186 3.164,1187 4.757,1188 3.181,1189 3.216,1190 3.306,1191 3.052,1192 3.05,1193 4.437,1194 3.036,1195 3.082,1196 3.151,1197 2.907,1198 2.907,1199 4.042,1200 2.9,1201 2.953,1202 3.071,1203 2.749,1204 2.674,1205 3.816,1206 2.667,1207 2.794,1208 2.885,1209 2.628,1210 2.605,1211 3.802,1212 2.6,1213 0.187,1214 0.146,1215 0.277,1216 0.17,1217 0.13,1218 4.686,1219 0.185,1220 3.645,1221 0.042,1222 6.917,1223 0.464,1224 4.242,1225 0.128,1226 3.257,1227 4.635,1228 1.058,1229 11.588,1230 3.211,1231 2.036,1232 2.014,1233 2.096,1234 2.14,1235 1.241,1236 2.127,1237 1.846,1238 1.806,1239 1.964,1240 1.986,1241 1.015,1242 1.981,1243 1.531,1244 1.475,1245 1.738,1246 1.726,1247 0.784,1248 1.731,1249 1.299,1250 1.244,1251 1.557,1252 1.539,1253 0.631,1254 1.539,1255 1.226,1256 1.146,1257 1.552,1258 1.46,1259 0.62,1260 1.493,1261 1.064,1262 1.007,1263 1.297,1264 1.312,1265 0.273,1266 1.328,1267 0.923,1268 0.811,1269 1.25,1270 1.247,1271 0.188,1272 1.261,1273 0.783,1274 0.702,1275 1.07,1276 1.035,1277 0.091,1278 1.05,1279 3.932,1281 5.273,1283 6.812,1285 8.45,1287 10.141,1289 5.516,1293 5.953,1296 2.855,1305 25.983,1306 62.294,1307 150.473,1308 174.348,1309 196.612,1310 196.612,1311 196.612,1312 37.888,1313 6.959,1314 93.79,1315 93.79,1316 18,1317 12.434,1318 4.248,1319 3.392,1320 36.684,1321 70,1322 85,1323 0.255,1324 163.281,1325 272.91,1326 390.166,1327 8887,1329 16.56,1330 0.72,1331 0.575,1332 16.56,1333 13.214,1334 10.952,1335 0.438,1336 0.289,1337 7.143,1338 10.582,1339 6.837,1340 5.749,1341 10.952,1342 7.229,1343 10.352,1344 0.288,1345 0.151,1346 10.352,1347 5.452,1348 8.334,1349 0.177,1350 0.077,1351 8.334,1352 3.614,1353 7.209,1354 0.114,1355 0.039,1356 7.209,1357 2.458,1358 5.678,1359 0.071,1360 0.021,1361 5.678,1362 1.649,1363 0.388,1364 68.259,1365 0.249,1366 22.167,1367 0.735,1368 122,1369 354.316,1370 133.234,1371 351.865,1372 486.58,1373 328,1374 144,1375 367.834,1376 154.681,1377 376.335,1378 547.39,1379 353,1380 5.342}
{0 CHEMBL1668271,1 1.557,2 8.87,3 1.539,4 2.369,5 86.669,6 7.685,7 0.68,8 3.789,9 3.92,10 3.378,11 3.337,12 4.981,13 3.326,14 4.265,15 4.446,16 3.752,17 3.691,18 5.446,19 3.668,20 4.445,21 4.621,22 3.815,23 3.811,24 5.655,25 3.784,26 4.539,27 4.752,28 3.766,29 3.794,30 5.732,31 3.739,32 4.491,33 4.694,34 3.723,35 3.714,36 5.742,37 3.671,38 4.475,39 4.696,40 3.53,41 3.623,42 5.759,43 3.557,44 4.405,45 4.674,46 3.332,47 3.542,48 5.425,49 3.439,50 4.138,51 4.346,52 3.209,53 3.428,54 5.207,55 3.321,56 0.038,57 0.63,58 7.582,59 3.178,60 8.575,61 4.227,62 0.16,63 0.958,64 13.823,65 5.377,66 20.046,67 7.476,68 0.2,69 1.136,70 16.48,71 5.574,72 27.519,73 7.58,74 0.264,75 1.14,76 19.765,77 6.923,78 38.817,79 9.625,80 0.211,81 1.067,82 18.752,83 6.392,84 39.856,85 8.805,86 0.458,87 1.024,88 19.397,89 5.621,90 68.989,91 7.692,92 0.317,93 0.901,94 19.578,95 6.228,96 47.626,97 8.883,98 0.104,99 0.757,100 12.909,101 5.091,102 23.731,103 7.048,104 26,105 36,106 0.274,107 0.662,108 0.766,109 0.864,110 0.864,111 0.864,112 3.189,113 0.867,114 -3.5,115 -3.47,116 -3.32,119 42.5,120 3,142 4,143 3,144 1,145 1,146 2,147 1,149 1,158 1,163 1,164 1,165 1,172 6,174 1,175 8,177 1,178 2,180 3,183 7,185 1,187 5,190 1,192 3,195 5,197 1,198 1,199 6,201 1,202 2,204 5,207 3,209 3,211 1,212 7,217 5,220 4,222 2,223 1,224 3,226 1,227 2,228 1,229 1,231 1,232 4,236 1,237 4,245 6,250 3,255 1,258 4,260 1,262 1,263 3,265 1,266 1,268 1,271 3,273 1,275 727,276 15.033,277 15.033,278 15.033,279 15.033,280 15.033,281 12.783,282 17.958,283 8.691,284 15.285,285 12.332,286 12.332,287 12.332,288 12.332,289 12.332,290 8.929,291 19.521,292 4.17,293 12.73,294 3.765,295 1.56,296 0.963,297 0.407,298 0.407,299 0.407,300 3.864,303 1,304 1,305 1,306 434,307 2.828,311 182.662,315 95.985,318 1.289,319 23.365,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 204,332 4.659,333 3.615,334 6.797,335 4.201,336 3.219,337 4.614,338 1.058,339 11.201,340 3.164,341 4.078,342 3.105,343 6.008,344 3.685,345 2.714,346 3.643,348 8.45,349 2.632,350 3.922,351 2.697,352 5.436,353 3.487,354 2.516,355 3.442,357 7.16,358 2.441,359 3.661,360 2.526,361 5.115,362 3.248,363 2.271,364 3.092,366 6.284,367 2.217,368 3.432,369 2.263,370 4.992,371 3.037,372 2.078,373 2.736,375 5.812,376 1.992,377 3.348,378 2.216,379 4.896,380 2.943,381 1.974,382 2.659,384 5.525,385 1.904,386 3.148,387 2.111,388 4.778,389 2.674,390 1.703,391 2.349,393 4.968,394 1.643,395 2.506,396 1.335,397 3.978,398 2.026,399 1.036,400 1.5,402 2.898,403 1.019,404 2.5,405 1,406 3.414,407 1.959,408 1,409 1.455,411 2.275,412 0.956,413 1.572,414 0.66,415 3.059,416 1.2,417 0.246,418 0.309,420 0.64,421 0.234,422 1.396,423 0.455,424 2.746,425 1.023,426 0.04,427 0.05,428 0.089,429 0.039,430 0.987,431 -0.041,432 2.674,433 0.507,434 -0.431,435 -0.562,436 -1.145,437 -0.401,438 0.755,439 -0.235,440 2.432,441 0.351,442 -0.628,443 -0.766,445 -1.591,446 -0.612,447 0.689,448 -0.344,449 2,450 0.316,451 -0.676,452 -0.818,454 -1.666,455 -0.664,456 0.523,457 -0.551,458 2,459 0.279,460 -0.73,461 -1.022,463 -2.046,464 -0.739,465 10.833,466 0.471,467 0.736,468 0.032,469 33.5,470 1.457,471 18.5,472 0.804,473 15,474 0.652,475 16.094,476 0.7,477 23.967,478 0.599,479 24,480 1.043,481 6.645,482 0.289,483 4.29,484 0.187,485 0.206,487 0.415,493 0.839,494 1.263,495 0.778,496 0.992,497 0.779,498 0.886,499 0.546,500 1.087,501 0.609,502 0.892,503 0.489,504 0.782,505 1.289,506 1.162,507 1.088,508 1.034,509 1.1,510 1.019,511 0.998,512 1.057,513 0.943,514 1.064,515 1.083,516 1.009,517 1.26,518 1.278,519 0.984,520 1.177,521 1.417,522 1.069,523 1.685,524 0.849,525 1.351,526 0.958,527 1.813,528 1.084,529 1.257,530 0.66,531 0.965,532 0.7,533 1.329,534 0.783,535 0.899,536 1.312,537 1.14,538 1.322,539 1.011,540 1.295,541 6,542 0.095,543 2.667,544 1.75,545 2.031,546 0.84,547 0.506,548 0.318,549 0.229,550 0.148,551 5145,552 13918,553 2.016,554 42.5,555 3,556 4,558 1,559 3,560 6,564 1.661,565 1.84,566 3.113,567 1.032,568 1,569 1,571 1,573 62.294,574 1.557,575 3.762,576 4.359,577 4.915,578 4.915,579 4.915,580 2.525,581 4.263,582 4.496,583 3.258,584 824.334,585 7.76,586 9156.3,587 1,588 1,590 1,591 212.877,592 1.538,593 4.428,594 0.24,595 0.014,596 0.074,597 0.047,598 0.06,599 0.026,600 0.02,601 0.014,602 0.012,603 0.011,604 0.519,605 0.5,606 1,607 0.675,608 106.068,609 -0.104,610 -0.09,611 0.023,612 0.016,613 -0.155,614 0.038,615 0.249,616 -0.009,617 0.276,618 0.109,619 0.176,620 0.178,621 -0.221,622 -0.033,623 -0.196,624 -0.096,625 -0.164,626 -0.129,627 0.075,628 -0.057,629 0.014,630 -0.09,631 0.053,632 -0.053,633 -0.017,634 -0.291,635 -0.015,636 -0.208,637 0.035,638 -0.126,639 -0.163,640 0.172,641 -0.341,642 -0.055,643 -0.143,644 -0.197,645 -0.141,646 0.232,647 0.078,648 0.282,649 -0.119,650 0.222,651 -0.098,652 -0.351,653 -0.221,654 -0.295,655 -0.128,656 -0.292,657 1.915,658 5.648,659 0.696,660 16.461,661 1.003,662 1.13,663 2.268,664 5.144,665 0.676,666 3.258,667 3.611,668 3.85,669 4.143,670 4.419,671 4.407,672 4.477,673 4.489,674 4.533,675 4.5,676 5.318,677 0.65,678 307.39,679 3.258,680 4.812,681 5.659,682 6.553,683 7.424,684 8.318,685 9.2,686 10.096,687 10.984,688 11.881,689 12.5,693 1,696 1,699 3,703 2,704 5,705 3,709 6,711 17,718 1,722 1,731 40,733 18,734 1,735 25,737 42,738 17,739 13,740 4,741 2,742 1,746 3,747 4,752 3,761 14,762 3,766 1,771 1,775 1,777 1,778 1,781 17,782 6,783 3,784 6,790 5,794 0.667,795 1,805 1,806 1,812 3,816 1,840 2,844 3,848 23,849 1,855 1,870 2.5,873 1,877 12.5,878 8.267,879 4.944,880 2.261,881 3.326,882 1.478,883 0.999,884 3.869,885 10.285,886 3.57,887 4.248,888 4.856,889 5.5,890 6.121,891 6.365,892 6.721,893 7.039,894 7.374,895 7.479,896 0.833,897 37,898 8.464,900 3.575,901 7.826,902 15.871,904 12.681,905 2.326,906 53.5,910 164.795,911 99.39,912 101.265,914 25.145,917 99.39,918 189.94,919 101.265,920 26.476,921 18.011,922 70.802,923 91.977,924 27.977,925 2.328,926 153.024,928 164.795,929 200.655,930 25.145,933 167.123,934 25.145,937 58.435,938 89.536,939 50.357,941 164.795,942 126.409,943 99.39,946 164.795,947 25.962,948 73.428,949 18.011,950 108.399,951 164.795,952 126.409,953 99.39,955 0.593,956 0.338,957 0.186,958 0.114,959 18,960 9,961 0.048,962 2,963 1,964 1.125,965 3.397,966 186.557,967 0.125,968 16,969 104.042,974 15.229,975 5.843,976 3.09,977 1.237,978 126.409,979 8.959,980 12.722,984 3.822,986 50.908,987 390.595,988 34.5,993 12.648,997 -0.248,999 40.138,1000 45.192,1001 0.293,1002 0.707,1003 0.819,1004 0.924,1005 0.924,1006 0.924,1007 4.806,1008 1.036,1009 5.673,1010 4.968,1011 4.29,1012 4.934,1013 1.176,1014 6.497,1015 4.232,1016 6.058,1017 1,1018 7.244,1019 2.898,1020 4.007,1021 4.902,1023 7.402,1024 3.94,1025 7.389,1026 0.246,1027 8.908,1028 2.275,1029 5.9,1030 7.231,1031 1.255,1032 10.514,1033 5.791,1034 8.753,1035 0.04,1036 10.626,1037 0.64,1038 6.347,1039 7.956,1041 12.239,1042 6.235,1043 10.142,1044 -0.431,1045 12.38,1046 0.089,1047 7.779,1048 9.817,1049 1.338,1050 14.908,1051 7.632,1052 11.553,1053 -0.628,1054 14.161,1055 -1.145,1056 8.582,1057 10.931,1059 17.019,1060 8.432,1061 12.982,1062 -0.676,1063 15.964,1064 -1.591,1065 9.831,1066 12.593,1067 1.422,1068 19.525,1069 9.654,1070 3.219,1071 -0.73,1072 17.784,1073 -1.666,1074 10.815,1075 13.915,1077 21.81,1078 10.631,1079 2.714,1080 11.201,1081 19.62,1082 -2.046,1083 11.995,1084 15.492,1085 1.51,1086 24.256,1087 11.79,1088 2.516,1089 8.45,1090 21.468,1091 4.614,1092 13.069,1093 16.919,1095 26.616,1096 12.853,1097 2.271,1098 7.16,1099 23.327,1100 3.643,1101 14.226,1102 18.462,1103 1.599,1104 29.04,1105 13.993,1106 2.078,1107 6.284,1108 25.195,1109 3.442,1110 15.344,1111 19.941,1113 31.431,1114 15.098,1115 1.974,1116 5.812,1117 27.071,1118 3.092,1119 16.497,1120 21.472,1121 1.69,1122 33.849,1123 16.236,1124 1.703,1125 5.525,1126 28.953,1127 2.736,1128 17.637,1129 22.976,1131 36.254,1132 17.362,1133 5080,1134 8480,1135 16.126,1136 27.051,1137 38.083,1138 39.002,1139 39.346,1140 37.584,1141 37.591,1142 51.699,1143 2.117,1144 110.601,1145 36.48,1146 5.488,1147 5.615,1148 6.211,1149 5.274,1150 5.219,1151 7.614,1152 2.117,1153 18.571,1154 5.164,1155 13.138,1156 1.523,1157 1.56,1158 1.574,1159 1.503,1160 1.504,1161 2.068,1162 0.085,1163 4.424,1164 1.459,1165 4.093,1166 4.123,1167 4.068,1168 4.008,1169 7.429,1170 4.018,1171 3.885,1172 3.93,1173 3.831,1174 3.771,1175 5.208,1176 3.78,1177 3.567,1178 3.625,1179 3.497,1180 3.401,1181 4.888,1182 3.416,1183 3.397,1184 3.446,1185 3.315,1186 3.201,1187 4.758,1188 3.223,1189 3.184,1190 3.28,1191 3.021,1192 3.005,1193 4.438,1194 2.993,1195 3.135,1196 3.213,1197 2.952,1198 2.986,1199 4.047,1200 2.968,1201 2.9,1202 3,1203 2.74,1204 2.62,1205 3.851,1206 2.626,1207 2.773,1208 2.857,1209 2.626,1210 2.548,1211 3.802,1212 2.571,1213 0.186,1214 0.145,1215 0.272,1216 0.168,1217 0.129,1218 4.659,1219 0.185,1220 3.615,1221 0.042,1222 6.797,1223 0.448,1224 4.201,1225 0.127,1226 3.219,1227 4.614,1228 1.058,1229 11.201,1230 3.164,1231 2.036,1232 2.014,1233 2.096,1234 2.14,1235 1.239,1236 2.127,1237 1.846,1238 1.807,1239 1.964,1240 1.986,1241 1.016,1242 1.982,1243 1.524,1244 1.465,1245 1.738,1246 1.72,1247 0.78,1248 1.727,1249 1.326,1250 1.279,1251 1.57,1252 1.567,1253 0.637,1254 1.561,1255 1.189,1256 1.105,1257 1.523,1258 1.44,1259 0.603,1260 1.471,1261 1.144,1262 1.078,1263 1.377,1264 1.363,1265 0.365,1266 1.39,1267 0.828,1268 0.734,1269 1.149,1270 1.175,1271 0.128,1272 1.176,1273 0.75,1274 0.664,1275 1.049,1276 0.995,1277 0.028,1278 1.02,1279 3.932,1281 5.273,1283 6.806,1285 8.434,1287 10.117,1289 5.548,1293 5.971,1296 2.841,1305 25.983,1306 62.294,1307 150.473,1308 174.348,1309 196.612,1310 196.612,1311 196.612,1312 37.41,1313 6.959,1314 93.79,1315 93.79,1316 18,1317 12.407,1318 4.248,1319 3.392,1320 36.698,1321 71,1322 85,1323 0.252,1324 163.281,1325 272.91,1326 390.166,1327 8871,1329 16.56,1330 0.72,1331 0.575,1332 16.56,1333 13.214,1334 10.936,1335 0.437,1336 0.289,1337 7.137,1338 10.565,1339 6.827,1340 5.747,1341 10.936,1342 7.223,1343 10.461,1344 0.291,1345 0.153,1346 10.461,1347 5.507,1348 8.2,1349 0.178,1350 0.076,1351 8.2,1352 3.5,1353 6.986,1354 0.113,1355 0.039,1356 6.986,1357 2.429,1358 6.045,1359 0.074,1360 0.021,1361 6.045,1362 1.724,1363 0.384,1364 68.158,1365 0.249,1366 22.205,1367 0.724,1368 122,1369 354.316,1370 133.234,1371 352.213,1372 486.1,1373 328,1374 143,1375 366.834,1376 153.681,1377 375.933,1378 545.38,1379 352,1380 7.056}
{0 CHEMBL1668272,1 1.581,2 9.667,3 1.472,4 2.166,5 91.778,6 7.676,7 0.654,8 3.843,9 3.979,10 3.43,11 3.346,12 5.034,13 3.345,14 4.321,15 4.516,16 3.79,17 3.698,18 5.49,19 3.687,20 4.492,21 4.673,22 3.872,23 3.834,24 5.694,25 3.813,26 4.612,27 4.836,28 3.804,29 3.824,30 5.824,31 3.775,32 4.552,33 4.769,34 3.648,35 3.749,36 5.746,37 3.674,38 4.458,39 4.708,40 3.508,41 3.588,42 5.63,43 3.498,44 4.295,45 4.541,46 3.316,47 3.439,48 5.407,49 3.369,50 4.146,51 4.395,52 3.28,53 3.362,54 5.194,55 3.283,56 0.048,57 0.681,58 8.108,59 3.143,60 8.88,61 4.34,62 0.251,63 1.019,64 15.072,65 5.09,66 21.228,67 7.302,68 0.207,69 1.19,70 17.437,71 5.76,72 26.136,73 8.132,74 0.358,75 1.208,76 21.711,77 6.712,78 46.239,79 9.692,80 0.309,81 1.088,82 20.46,83 6.902,84 47.719,85 9.667,86 0.336,87 0.948,88 19.761,89 6.544,90 51.914,91 9.552,92 0.391,93 0.829,94 16.878,95 4.564,96 44.748,97 6.649,98 0.11,99 0.731,100 14.004,101 4.898,102 19.166,103 7.263,104 27,105 37,106 0.275,107 0.652,108 0.79,109 0.839,110 0.839,111 0.839,112 3.229,113 0.857,114 -3.82,115 -3.78,116 -3.59,119 40.5,120 1,124 2,142 5,143 2,144 1,145 1,146 1,147 2,149 1,158 1,163 1,164 1,165 1,172 5,174 2,175 8,177 1,178 2,180 3,183 4,185 1,187 6,190 1,192 3,195 2,197 1,198 1,199 6,201 1,202 2,204 5,207 3,209 3,211 1,212 4,215 1,217 2,220 4,222 1,223 1,224 3,226 1,227 2,228 1,229 1,231 1,232 4,236 2,237 4,245 3,250 3,255 1,258 2,260 1,262 2,263 4,265 1,266 1,268 1,271 1,273 1,275 788,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 13.645,282 19.624,283 9.135,284 16.143,285 12.8,286 12.8,287 12.8,288 12.8,289 12.8,290 9.512,291 26.365,292 4.302,293 13.357,294 3.811,295 1.647,296 0.854,297 0.578,298 0.578,299 0.578,300 3.905,303 1,304 1,305 1,306 492,307 3.24,311 198.46,315 104.672,318 1.528,319 23.311,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52,331 232,332 4.635,333 3.61,334 6.779,335 4.174,336 3.193,337 4.585,338 1.058,339 11.112,340 3.133,341 4.131,342 3.08,343 6.005,344 3.744,345 2.799,346 3.697,347 0.8,348 8.446,349 2.656,350 3.97,351 2.979,352 5.924,353 3.6,354 2.634,355 3.437,357 8.181,358 2.529,359 3.608,360 2.469,361 5.346,362 3.253,363 2.3,364 2.951,366 6.841,367 2.185,368 3.522,369 2.347,370 5.016,371 3.074,372 2.124,373 2.883,375 5.938,376 2.011,377 3.18,378 2.181,379 4.877,380 2.714,381 1.746,382 2.382,384 5.073,385 1.679,386 2.883,387 1.472,388 4,389 2.387,390 1.398,391 2.058,393 3.261,394 1.381,395 2.523,396 1.434,397 3.771,398 2.191,399 1.258,400 1.514,402 2.982,403 1.172,404 2.5,405 1.304,406 3.738,407 1.99,408 1,409 1.5,411 2.628,412 0.983,413 2.42,414 1,415 3.414,416 1.955,417 1,418 1.366,420 2.275,421 0.952,422 1.391,423 0.535,424 2.834,425 0.991,426 0.046,427 0.058,428 0.119,429 0.043,430 1.247,431 0.178,432 2.695,433 0.827,434 -0.153,435 -0.203,436 -0.367,437 -0.148,438 0.962,439 -0.234,440 2.447,441 0.488,442 -0.455,443 -0.584,445 -1.164,446 -0.426,447 0.732,448 -0.341,449 2.275,450 0.302,451 -0.686,452 -0.915,454 -1.651,455 -0.672,456 0.565,457 -0.6,458 2,459 0.146,460 -0.847,461 -1,463 -2,464 -0.835,465 11.233,466 0.468,467 0.72,468 0.03,469 35.25,470 1.469,471 19,472 0.792,473 16.25,474 0.677,475 15.869,476 0.661,477 25.367,478 0.604,479 26.058,480 1.086,481 7.132,482 0.297,483 4.321,484 0.18,485 0.199,487 0.392,493 0.884,494 1.446,495 0.778,496 1.08,497 0.777,498 0.929,499 0.744,500 0.968,501 0.683,502 0.778,503 0.526,504 0.721,505 1.188,506 1.278,507 1.012,508 1.095,509 1.031,510 1.028,511 1.159,512 0.989,513 1.022,514 0.99,515 1.129,516 0.979,517 1.211,518 1.08,519 1.121,520 1.178,521 1.541,522 1.153,523 0.809,524 0.966,525 0.876,526 1.037,527 0.982,528 0.992,529 1.594,530 0.715,531 1.212,532 0.718,533 1.694,534 0.877,535 0.654,536 1.135,537 0.727,538 1.042,539 0.592,540 0.921,541 5.5,542 0.12,543 3.111,544 1.938,545 1.6,546 0.993,547 0.344,548 0.318,549 0.242,550 0.153,551 6078,552 16595,553 2.015,554 42.9,556 11,558 1,559 3,560 3,564 1.668,565 1.846,566 3.238,567 1.039,568 1,569 1,571 1,573 66.422,574 1.581,575 3.746,576 4.538,577 4.815,578 4.815,579 4.815,580 2.685,581 3.835,582 4.557,583 3.423,584 944.822,585 7.86,586 11019.2,587 1,588 1,590 1,591 226.477,592 1.528,593 4.493,594 0.212,595 0.01,596 0.084,597 0.05,598 0.046,599 0.034,600 0.014,601 0.015,602 0.012,603 0.01,604 0.485,605 0.5,606 1,607 0.854,608 113.794,609 -0.108,610 -0.235,611 0.033,612 -0.057,613 -0.15,614 0.002,615 0.16,616 0.15,617 0.222,618 0.2,619 0.144,620 0.218,621 -0.172,622 -0.152,623 -0.118,624 -0.126,625 -0.099,626 -0.112,627 -0.044,628 0.031,629 -0.054,630 -0.035,631 0.031,632 -0.039,633 -0.061,634 -0.109,635 -0.153,636 -0.182,637 -0.109,638 -0.183,639 0.237,640 -0.065,641 0.133,642 -0.038,643 0.227,644 0.015,645 -0.264,646 0.264,647 -0.19,648 0.202,649 -0.3,650 0.046,651 0.096,652 -0.215,653 0.244,654 -0.011,655 0.168,656 0.118,657 1.933,658 5.619,659 0.667,660 18.403,661 1.006,662 1.135,663 2.589,664 6.703,665 0.668,666 3.296,667 3.638,668 3.892,669 4.143,670 4.369,671 4.407,672 4.431,673 4.5,674 4.511,675 4.533,676 5.877,677 0.643,678 322.41,679 3.296,680 4.844,681 5.694,682 6.578,683 7.446,684 8.333,685 9.208,686 10.097,687 10.975,688 11.865,689 14.3,693 1,695 1,696 1,699 3,703 2,704 6,705 3,709 5,711 17,718 1,722 1,726 1,731 42,733 18,734 1,735 26,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 3,766 1,771 1,775 1,777 1,778 1,781 18,782 7,783 3,784 7,790 6,794 0.667,795 1,805 1,806 1,812 3,816 1,840 2,844 3,848 24,849 1,855 1,859 1,870 2.4,873 1,877 13,878 8.55,879 5.222,880 2.267,881 3.366,882 1.477,883 0.991,884 4.32,885 10.425,886 3.597,887 4.248,888 4.868,889 5.486,890 6.072,891 6.332,892 6.654,893 7.001,894 7.297,895 7.437,896 1,897 39,898 8.819,900 3.694,901 7.826,902 16.51,904 13.038,905 2.326,906 55.833,910 176.567,911 104.394,912 104.389,914 25.145,917 104.394,918 201.711,919 104.389,920 25.618,921 18.011,922 80.278,923 91.977,924 25.159,925 4.656,926 164.795,928 176.567,929 208.783,930 25.145,933 178.894,934 25.145,937 38.028,938 118.071,939 50.357,941 176.567,942 129.534,943 104.394,946 176.567,947 22.348,948 85.171,949 18.011,950 108.399,951 176.567,952 129.534,953 104.394,955 0.591,956 0.344,957 0.182,958 0.099,959 18,960 9,961 0.068,962 3,963 1,964 1.125,965 3.522,966 194.356,967 0.125,968 16,969 108.039,974 16.154,975 6.419,976 3.316,977 1.201,978 129.534,979 10.537,980 12.776,984 2.762,986 50.908,987 410.495,988 35.5,993 12.619,997 -0.266,999 42.24,1000 47.69,1001 0.293,1002 0.695,1003 0.842,1004 0.893,1005 0.893,1006 0.893,1007 4.83,1008 1.258,1009 5.7,1010 3.261,1011 4.317,1012 4.934,1013 1.435,1014 6.524,1015 4.239,1016 6.067,1017 1,1018 7.274,1019 2.982,1020 4.007,1021 4.844,1022 0.325,1023 7.459,1024 3.897,1025 7.39,1026 1,1027 8.947,1028 2.628,1029 5.927,1030 7.209,1031 1.379,1032 10.552,1033 5.78,1034 8.748,1035 0.046,1036 10.675,1037 2.275,1038 6.382,1039 7.915,1040 0.268,1041 12.301,1042 6.211,1043 10.136,1044 -0.153,1045 12.439,1046 0.119,1047 7.819,1048 9.79,1049 1.406,1050 14.936,1051 7.617,1052 11.546,1053 -0.455,1054 14.229,1055 -0.367,1056 8.628,1057 10.895,1058 0.188,1059 17.043,1060 8.41,1061 12.975,1062 -0.686,1063 16.038,1064 -1.164,1065 9.873,1066 12.56,1067 1.462,1068 19.521,1069 9.63,1070 3.193,1071 -0.847,1072 17.861,1073 -1.651,1074 10.853,1075 13.872,1076 0.125,1077 21.791,1078 10.596,1079 2.799,1080 11.112,1081 19.697,1082 -2,1083 12.024,1084 15.447,1085 1.533,1086 24.217,1087 11.746,1088 2.634,1089 8.446,1090 21.543,1091 4.585,1092 13.086,1093 16.864,1094 0.082,1095 26.56,1096 12.795,1097 2.3,1098 8.181,1099 23.397,1100 3.697,1101 14.231,1102 18.402,1103 1.613,1104 28.97,1105 13.923,1106 2.124,1107 6.841,1108 25.259,1109 3.437,1110 15.334,1111 19.872,1112 0.054,1113 31.347,1114 15.014,1115 1.746,1116 5.938,1117 27.127,1118 2.951,1119 16.473,1120 21.396,1121 1.698,1122 33.753,1123 16.138,1124 1.398,1125 5.073,1126 29.001,1127 2.883,1128 17.598,1129 22.891,1130 0.035,1131 36.145,1132 17.249,1133 5998,1134 10050,1135 16.819,1136 28.057,1137 39.491,1138 40.189,1139 40.816,1140 38.99,1141 38.995,1142 52.863,1143 3.717,1144 113.712,1145 37.448,1146 5.466,1147 5.61,1148 6.289,1149 5.246,1150 5.193,1151 7.585,1152 2.117,1153 18.459,1154 5.133,1155 13.852,1156 1.519,1157 1.546,1158 1.57,1159 1.5,1160 1.5,1161 2.033,1162 0.143,1163 4.374,1164 1.44,1165 4.083,1166 4.114,1167 4.057,1168 3.992,1169 7.429,1170 4.004,1171 3.894,1172 3.944,1173 3.845,1174 3.76,1175 5.21,1176 3.775,1177 3.551,1178 3.613,1179 3.487,1180 3.363,1181 4.893,1182 3.384,1183 3.451,1184 3.532,1185 3.321,1186 3.234,1187 4.761,1188 3.244,1189 3.282,1190 3.338,1191 3.174,1192 3.092,1193 4.431,1194 3.104,1195 3.104,1196 3.194,1197 2.951,1198 2.881,1199 4.223,1200 2.881,1201 2.874,1202 3.009,1203 2.689,1204 2.675,1205 3.904,1206 2.667,1207 2.835,1208 2.924,1209 2.627,1210 2.618,1211 3.795,1212 2.57,1213 0.178,1214 0.139,1215 0.261,1216 0.161,1217 0.123,1218 4.635,1219 0.176,1220 3.61,1221 0.041,1222 6.779,1223 0.427,1224 4.174,1225 0.12,1226 3.193,1227 4.585,1228 1.058,1229 11.112,1230 3.133,1231 2.024,1232 2,1233 2.082,1234 2.133,1235 1.197,1236 2.118,1237 1.837,1238 1.795,1239 1.946,1240 2,1241 1.003,1242 1.987,1243 1.487,1244 1.428,1245 1.718,1246 1.722,1247 0.774,1248 1.72,1249 1.421,1250 1.334,1251 1.693,1252 1.648,1253 0.738,1254 1.665,1255 1.218,1256 1.171,1257 1.417,1258 1.467,1259 0.469,1260 1.46,1261 1.057,1262 0.983,1263 1.415,1264 1.346,1265 0.391,1266 1.334,1267 0.934,1268 0.804,1269 1.282,1270 1.239,1271 0.278,1272 1.308,1273 0.82,1274 0.753,1275 1.078,1276 1.064,1277 0.137,1278 1.072,1279 3.97,1281 5.303,1283 6.834,1285 8.458,1287 10.132,1289 5.556,1293 5.926,1296 2.834,1300 1.888,1305 27.004,1306 66.422,1307 157.319,1308 190.603,1309 202.213,1310 202.213,1311 202.213,1312 38.947,1313 7.059,1314 97.03,1315 97.03,1316 18,1317 12.396,1318 4.248,1319 3.392,1320 39.337,1321 84,1322 86,1323 0.231,1324 170.075,1325 283.91,1326 406.744,1327 10410,1329 17.267,1330 0.719,1331 0.572,1332 17.267,1333 13.739,1334 11.452,1335 0.44,1336 0.286,1337 7.307,1338 10.975,1339 7.017,1340 5.913,1341 11.452,1342 7.43,1343 10.714,1344 0.29,1345 0.152,1346 10.714,1347 5.611,1348 8.625,1349 0.18,1350 0.075,1351 8.625,1352 3.576,1353 7.259,1354 0.117,1355 0.039,1356 7.259,1357 2.398,1358 5.691,1359 0.073,1360 0.02,1361 5.691,1362 1.552,1363 0.361,1364 72.003,1365 0.244,1366 23.31,1367 0.641,1368 126,1369 375.961,1370 139.038,1371 371.292,1372 511.49,1373 346,1374 148,1375 384.946,1376 161.178,1377 394.218,1378 572.08,1379 368,1380 7.268}
{0 CHEMBL1668273,1 1.558,2 9.68,3 1.958,4 3.834,5 96.819,6 7.476,7 0.63,8 3.903,9 4.041,10 3.467,11 3.406,12 5.073,13 3.397,14 4.393,15 4.596,16 3.836,17 3.766,18 5.529,19 3.747,20 4.556,21 4.731,22 3.939,23 3.925,24 5.734,25 3.898,26 4.72,27 4.941,28 3.913,29 3.943,30 5.914,31 3.887,32 4.708,33 4.932,34 3.748,35 3.873,36 5.887,37 3.797,38 4.582,39 4.828,40 3.664,41 3.753,42 5.723,43 3.662,44 4.487,45 4.716,46 3.447,47 3.655,48 5.61,49 3.563,50 4.478,51 4.783,52 3.342,53 3.544,54 5.385,55 3.415,56 0.038,57 0.719,58 9.061,59 3.465,60 8.925,61 4.893,62 0.25,63 1.082,64 16.821,65 5.653,66 22.061,67 8.261,68 0.183,69 1.279,70 18.97,71 6.397,72 23.854,73 9.156,74 0.307,75 1.348,76 24.334,77 7.816,78 44.422,79 11.454,80 0.41,81 1.245,82 24.901,83 7.699,84 62.613,85 10.955,86 0.312,87 1.097,88 22.182,89 7.635,90 49.613,91 11.177,92 0.399,93 1.034,94 19.839,95 5.569,96 49.944,97 8.223,98 0.196,99 0.915,100 21.489,101 6.873,102 32.395,103 10.691,104 38,105 39,106 0.268,107 0.645,108 0.779,109 0.833,110 0.833,111 0.833,112 3.267,113 0.872,114 -4.06,115 -4.01,116 -3.79,119 40,120 2,124 2,142 4,143 3,144 1,145 1,146 1,147 2,149 1,158 1,163 1,164 1,165 1,172 6,174 2,175 8,177 1,178 2,180 3,183 6,185 1,187 6,190 1,192 3,195 3,197 1,198 1,199 8,201 1,202 2,204 6,207 4,209 3,211 1,212 4,215 1,217 2,220 4,222 1,223 1,224 4,226 1,227 2,228 1,229 2,231 1,232 6,234 1,236 2,237 5,245 4,250 3,255 1,258 2,260 1,262 2,263 5,265 1,266 1,268 1,271 1,273 1,275 906,276 16.292,277 16.292,278 16.292,279 16.292,280 16.292,281 14.092,282 22.049,283 9.321,284 16.643,285 13.273,286 13.273,287 13.273,288 13.273,289 13.273,290 9.906,291 28.561,292 4.383,293 13.83,294 3.933,295 1.736,296 0.956,297 0.645,298 0.645,299 0.645,300 3.942,303 1,304 1,305 1,306 511,307 3.317,311 206.755,315 109.758,318 1.478,319 24.16,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 242,332 4.686,333 3.645,334 6.917,335 4.242,336 3.257,337 4.635,338 1.058,339 11.588,340 3.211,341 4.141,342 3.098,343 6.149,344 3.75,345 2.802,346 3.706,347 0.8,348 8.832,349 2.671,350 4.042,351 2.979,352 5.929,353 3.651,354 2.691,355 3.577,357 8.224,358 2.57,359 3.647,360 2.597,361 5.38,362 3.312,363 2.359,364 2.973,366 6.964,367 2.241,368 3.523,369 2.431,370 5.031,371 3.077,372 2.125,373 2.889,375 5.952,376 2.019,377 3.26,378 2.284,379 4.964,380 2.859,381 1.861,382 2.537,384 5.317,385 1.85,386 3.178,387 1.922,388 4.76,389 2.701,390 1.742,391 2.373,393 4.911,394 1.659,395 2.563,396 1.472,397 3.938,398 2.194,399 1.258,400 1.566,402 3.038,403 1.175,404 2.5,405 1.308,406 3.751,407 2.06,408 1.076,409 1.5,411 2.713,412 1.053,413 2.438,414 1,415 3.414,416 1.956,417 1,418 1.412,420 2.275,421 0.953,422 1.418,423 0.59,424 3.041,425 1.055,426 0.105,427 0.127,428 0.29,429 0.099,430 1.269,431 0.316,432 2.754,433 0.893,434 -0.08,435 -0.104,436 -0.193,437 -0.077,438 1.239,439 0.112,440 2.659,441 0.8,442 -0.198,443 -0.268,445 -0.478,446 -0.194,447 0.819,448 -0.246,449 2.419,450 0.42,451 -0.514,452 -0.623,454 -1.255,455 -0.48,456 0.572,457 -0.394,458 2,459 0.147,460 -0.843,461 -1,463 -2,464 -0.822,465 11.733,466 0.469,467 0.809,468 0.032,469 35.75,470 1.43,471 19,472 0.76,473 16.75,474 0.67,475 18.339,476 0.734,477 26.667,478 0.593,479 27.088,480 1.084,481 7.188,482 0.288,483 4.675,484 0.187,485 0.233,487 0.418,493 0.877,494 1.451,495 0.801,496 1.102,497 0.783,498 0.956,499 0.722,500 0.932,501 0.652,502 0.743,503 0.506,504 0.687,505 1.173,506 1.289,507 1.021,508 1.117,509 1.048,510 1.05,511 1.047,512 1.101,513 0.981,514 1.089,515 1.012,516 1.031,517 1.551,518 0.977,519 1.205,520 1.048,521 1.93,522 1.083,523 0.726,524 1.025,525 0.825,526 1.054,527 0.858,528 0.984,529 1.624,530 0.94,531 1.446,532 1.022,533 1.726,534 1.178,535 0.593,536 0.873,537 0.647,538 0.813,539 0.512,540 0.748,541 6,542 0.12,543 3.333,544 2.375,545 1.791,546 1.299,547 0.465,548 0.333,549 0.262,550 0.192,551 6547,552 17368,553 1.992,554 44.4,555 3,556 10,558 1,559 3,560 3,564 1.681,565 1.807,566 3.219,567 1.005,568 1,569 1,571 1,573 70.126,574 1.558,575 3.755,576 4.536,577 4.847,578 4.847,579 4.847,580 2.675,581 4.134,582 4.615,583 3.418,584 1025.34,585 7.988,586 12205.2,588 1,590 1,591 247.133,592 1.554,593 4.541,594 0.222,595 0.009,596 0.085,597 0.057,598 0.046,599 0.041,600 0.016,601 0.014,602 0.012,603 0.011,604 0.513,605 0.5,606 1,607 0.866,608 119.652,609 -0.093,610 -0.225,611 0.035,612 -0.056,613 -0.146,614 0.001,615 0.182,616 0.184,617 0.271,618 0.249,619 0.167,620 0.27,621 -0.161,622 -0.135,623 -0.123,624 -0.124,625 -0.119,626 -0.116,627 0.024,628 -0.07,629 -0.021,630 -0.114,631 0.102,632 -0.075,633 -0.19,634 0.004,635 -0.21,636 -0.08,637 -0.23,638 -0.138,639 0.258,640 -0.099,641 0.158,642 -0.04,643 0.278,644 0.026,645 -0.334,646 0.104,647 -0.462,648 -0.1,649 -0.387,650 -0.271,651 0.134,652 -0.045,653 0.375,654 0.189,655 0.186,656 0.302,657 1.917,658 5.84,659 0.64,660 19.37,661 1.003,662 1.136,663 2.827,664 7.99,665 0.663,666 3.332,667 3.689,668 3.951,669 4.22,670 4.443,671 4.533,672 4.511,673 4.625,674 4.595,675 4.644,676 5.868,677 0.634,678 336.44,679 3.332,680 4.89,681 5.746,682 6.64,683 7.515,684 8.413,685 9.295,686 10.196,687 11.081,688 11.984,689 13.3,693 1,695 1,696 1,699 3,703 2,704 5,705 3,709 6,711 17,718 1,722 1,726 1,731 45,733 18,734 1,735 27,737 47,738 18,739 13,740 4,741 2,742 1,746 3,747 4,752 2,761 14,762 4,766 1,771 1,775 1,777 1,778 1,781 20,782 7,783 3,784 7,790 6,794 0.667,795 1,805 1,806 1,812 3,816 1,840 2,844 4,848 25,849 1,855 1,859 1,870 2.2,873 1,877 13.833,878 9.467,879 5.417,880 2.468,881 3.383,882 1.474,883 0.985,884 4.556,885 10.525,886 3.624,887 4.29,888 4.913,889 5.545,890 6.132,891 6.441,892 6.728,893 7.126,894 7.369,895 7.532,896 1,897 42,898 9.2,900 3.85,901 7.8,902 17.285,904 13.686,905 2.3,906 57.5,910 200.109,911 106.929,912 104.389,914 25.145,917 106.929,918 225.254,919 104.389,920 34.443,921 18.011,922 70.802,923 91.977,924 28.345,925 4.656,926 188.338,928 200.109,929 211.318,930 25.145,933 202.437,934 25.145,937 46.853,938 111.781,939 50.357,941 200.109,942 129.534,943 106.929,946 200.109,947 25.533,948 84.52,949 18.011,950 108.399,951 200.109,952 129.534,953 106.929,955 0.596,956 0.348,957 0.186,958 0.1,959 19,960 10,961 0.064,962 3,963 1,964 1.125,965 3.546,966 208.442,967 0.125,968 16,969 114.096,974 17.12,975 6.653,976 3.396,977 1.225,978 129.534,979 8.969,980 12.889,984 3.642,986 50.908,987 436.571,988 36.5,993 12.84,997 -0.25,999 45.123,1000 51.106,1001 0.284,1002 0.684,1003 0.826,1004 0.883,1005 0.883,1006 0.883,1007 4.869,1008 1.258,1009 5.765,1010 4.911,1011 4.369,1012 4.977,1013 1.435,1014 6.608,1015 4.295,1016 6.117,1017 1.076,1018 7.353,1019 3.038,1020 4.111,1021 4.945,1022 0.325,1023 7.588,1024 4.012,1025 7.449,1026 1,1027 9.039,1028 2.713,1029 5.999,1030 7.268,1031 1.379,1032 10.695,1033 5.863,1034 8.816,1035 0.105,1036 10.78,1037 2.275,1038 6.494,1039 8.015,1040 0.268,1041 12.496,1042 6.342,1043 10.213,1044 -0.08,1045 12.557,1046 0.29,1047 7.915,1048 9.864,1049 1.406,1050 15.156,1051 7.733,1052 11.631,1053 -0.198,1054 14.361,1055 -0.193,1056 8.757,1057 10.998,1058 0.188,1059 17.321,1060 8.568,1061 13.067,1062 -0.514,1063 16.185,1064 -0.478,1065 10.001,1066 12.653,1067 1.462,1068 19.831,1069 9.79,1070 3.257,1071 -0.843,1072 18.024,1073 -1.255,1074 11.01,1075 13.986,1076 0.125,1077 22.157,1078 10.793,1079 2.802,1080 11.588,1081 19.878,1082 -2,1083 12.189,1084 15.559,1085 1.533,1086 24.619,1087 11.957,1088 2.691,1089 8.832,1090 21.742,1091 4.635,1092 13.276,1093 16.993,1094 0.082,1095 27.014,1096 13.039,1097 2.359,1098 8.224,1099 23.616,1100 3.706,1101 14.436,1102 18.534,1103 1.613,1104 29.463,1105 14.188,1106 2.125,1107 6.964,1108 25.498,1109 3.577,1110 15.563,1111 20.018,1112 0.054,1113 31.887,1114 15.308,1115 1.861,1116 5.952,1117 27.387,1118 2.973,1119 16.72,1120 21.549,1121 1.698,1122 34.333,1123 16.457,1124 1.742,1125 5.317,1126 29.282,1127 2.889,1128 17.867,1129 23.056,1130 0.035,1131 36.771,1132 17.596,1133 6495,1134 10719,1135 17.224,1136 29.819,1137 41.051,1138 41.809,1139 42.992,1140 40.528,1141 40.551,1142 54.589,1143 3.717,1144 120.207,1145 39.003,1146 5.522,1147 5.645,1148 6.332,1149 5.315,1150 5.257,1151 7.635,1152 2.117,1153 19.009,1154 5.211,1155 15.435,1156 1.52,1157 1.548,1158 1.592,1159 1.501,1160 1.502,1161 2.022,1162 0.138,1163 4.452,1164 1.445,1165 4.095,1166 4.124,1167 4.07,1168 4.009,1169 7.429,1170 4.019,1171 3.894,1172 3.944,1173 3.845,1174 3.761,1175 5.209,1176 3.775,1177 3.582,1178 3.641,1179 3.517,1180 3.413,1181 4.893,1182 3.43,1183 3.467,1184 3.551,1185 3.339,1186 3.237,1187 4.757,1188 3.25,1189 3.282,1190 3.342,1191 3.174,1192 3.104,1193 4.437,1194 3.109,1195 3.182,1196 3.258,1197 3.012,1198 2.976,1199 4.223,1200 2.976,1201 2.957,1202 3.079,1203 2.762,1204 2.678,1205 3.904,1206 2.673,1207 2.874,1208 3.009,1209 2.659,1210 2.67,1211 3.814,1212 2.662,1213 0.174,1214 0.135,1215 0.256,1216 0.157,1217 0.121,1218 4.686,1219 0.172,1220 3.645,1221 0.039,1222 6.917,1223 0.429,1224 4.242,1225 0.119,1226 3.257,1227 4.635,1228 1.058,1229 11.588,1230 3.211,1231 2.036,1232 2.014,1233 2.095,1234 2.14,1235 1.241,1236 2.127,1237 1.837,1238 1.795,1239 1.946,1240 2,1241 1.003,1242 1.987,1243 1.532,1244 1.475,1245 1.74,1246 1.74,1247 0.785,1248 1.739,1249 1.426,1250 1.339,1251 1.712,1252 1.677,1253 0.77,1254 1.695,1255 1.247,1256 1.185,1257 1.552,1258 1.475,1259 0.631,1260 1.498,1261 1.14,1262 1.082,1263 1.417,1264 1.408,1265 0.469,1266 1.393,1267 0.934,1268 0.811,1269 1.319,1270 1.257,1271 0.304,1272 1.308,1273 0.924,1274 0.804,1275 1.264,1276 1.239,1277 0.192,1278 1.274,1279 4.007,1281 5.352,1283 6.893,1285 8.529,1287 10.217,1289 7.443,1293 5.976,1296 2.875,1300 1.892,1305 28.531,1306 70.126,1307 168.994,1308 204.114,1309 218.114,1310 218.114,1311 218.114,1312 43.114,1313 7.142,1314 97.03,1315 97.03,1316 18,1317 12.508,1318 4.248,1319 3.392,1320 41.755,1321 86,1322 94,1323 0.237,1324 179.668,1325 301.21,1326 430.15,1327 11363,1329 18.137,1330 0.725,1331 0.586,1332 18.137,1333 14.661,1334 11.863,1335 0.439,1336 0.291,1337 7.723,1338 11.385,1339 7.363,1340 6.225,1341 11.863,1342 7.847,1343 11.251,1344 0.288,1345 0.155,1346 11.251,1347 6.063,1348 9.033,1349 0.177,1350 0.077,1351 9.033,1352 3.909,1353 7.734,1354 0.115,1355 0.039,1356 7.734,1357 2.641,1358 5.864,1359 0.07,1360 0.02,1361 5.864,1362 1.693,1363 0.367,1364 74.467,1365 0.241,1366 24.012,1367 0.666,1368 132,1369 383.961,1370 145.038,1371 379.93,1372 524.56,1373 354,1374 156,1375 395.946,1376 169.178,1377 406.611,1378 590.77,1379 379,1380 7}
{0 CHEMBL1668274,1 1.558,2 9.72,3 1.958,4 3.834,5 96.819,6 7.476,7 0.63,8 3.903,9 4.041,10 3.467,11 3.406,12 5.073,13 3.397,14 4.393,15 4.596,16 3.836,17 3.766,18 5.532,19 3.747,20 4.556,21 4.73,22 3.922,23 3.917,24 5.745,25 3.887,26 4.717,27 4.951,28 3.875,29 3.928,30 5.866,31 3.867,32 4.641,33 4.847,34 3.799,35 3.865,36 5.845,37 3.796,38 4.639,39 4.888,40 3.609,41 3.725,42 5.833,43 3.639,44 4.468,45 4.732,46 3.43,47 3.6,48 5.5,49 3.51,50 4.277,51 4.501,52 3.391,53 3.54,54 5.334,55 3.443,56 0.038,57 0.719,58 9.061,59 3.465,60 8.876,61 4.893,62 0.25,63 1.082,64 16.821,65 5.653,66 21.863,67 8.261,68 0.179,69 1.275,70 18.944,71 6.394,72 25.903,73 9.156,74 0.358,75 1.323,76 24.848,77 7.775,78 46.693,79 11.459,80 0.232,81 1.219,82 22.152,83 7.74,84 41.425,85 10.996,86 0.482,87 1.128,88 24.12,89 6.868,90 73.503,91 10.183,92 0.408,93 0.96,94 20.653,95 5.862,96 46.963,97 8.786,98 0.067,99 0.86,100 15.308,101 5.807,102 17.814,103 8.475,104 38,105 39,106 0.268,107 0.645,108 0.779,109 0.833,110 0.833,111 0.833,112 3.267,113 0.871,114 -4.06,115 -4.01,116 -3.79,119 40,120 2,124 2,142 4,143 3,144 1,145 1,146 1,147 2,149 1,158 1,163 1,164 1,165 1,172 6,174 2,175 8,177 1,178 2,180 3,183 6,185 1,187 6,190 1,192 3,195 4,197 1,198 1,199 6,201 1,202 2,204 5,207 3,209 3,211 1,212 7,215 1,217 4,220 4,222 2,223 1,224 3,226 1,227 2,228 1,229 1,231 1,232 4,236 2,237 4,245 5,250 4,255 1,258 3,260 1,262 2,263 4,265 1,266 1,268 1,271 1,273 1,275 905,276 16.24,277 16.24,278 16.24,279 16.24,280 16.24,281 14.067,282 22.049,283 9.326,284 16.591,285 13.3,286 13.3,287 13.3,288 13.3,289 13.3,290 9.931,291 27.836,292 4.429,293 13.857,294 3.933,295 1.736,296 0.956,297 0.645,298 0.645,299 0.645,300 3.942,303 1,304 1,305 1,306 513,307 3.317,311 207.304,315 109.758,318 1.514,319 24.007,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 243,332 4.659,333 3.615,334 6.797,335 4.201,336 3.219,337 4.614,338 1.058,339 11.201,340 3.164,341 4.131,342 3.106,343 6.011,344 3.744,345 2.8,346 3.698,347 0.8,348 8.474,349 2.657,350 3.975,351 2.98,352 5.924,353 3.6,354 2.636,355 3.456,357 8.188,358 2.53,359 3.684,360 2.535,361 5.348,362 3.302,363 2.344,364 3.1,366 6.859,367 2.247,368 3.571,369 2.451,370 5.115,371 3.186,372 2.214,373 2.886,375 6.276,376 2.144,377 3.353,378 2.22,379 4.915,380 2.948,381 1.98,382 2.662,384 5.525,385 1.906,386 3.178,387 2.116,388 4.84,389 2.705,390 1.739,391 2.381,393 5.061,394 1.669,395 2.537,396 1.472,397 4.012,398 2.197,399 1.265,400 1.526,402 3.128,403 1.177,404 2.5,405 1.335,406 3.746,407 1.995,408 1.004,409 1.5,411 2.692,412 0.987,413 2.422,414 1,415 3.414,416 1.955,417 1,418 1.369,420 2.275,421 0.952,422 1.569,423 0.555,424 3.046,425 1.185,426 0.228,427 0.289,428 0.599,429 0.217,430 1.249,431 0.426,432 2.746,433 0.861,434 -0.113,435 -0.145,436 -0.274,437 -0.109,438 0.987,439 -0.234,440 2.661,441 0.506,442 -0.432,443 -0.563,445 -1.145,446 -0.402,447 0.747,448 -0.289,449 2.418,450 0.32,451 -0.667,452 -0.81,454 -1.663,455 -0.656,456 0.58,457 -0.379,458 2,459 0.281,460 -0.702,461 -0.915,463 -2,464 -0.684,465 11.733,466 0.469,467 0.826,468 0.033,469 35.75,470 1.43,471 19,472 0.76,473 16.75,474 0.67,475 18.205,476 0.728,477 26.667,478 0.593,479 27.047,480 1.082,481 7.172,482 0.287,483 4.674,484 0.187,485 0.233,487 0.418,493 0.877,494 1.451,495 0.801,496 1.102,497 0.785,498 0.956,499 0.722,500 0.932,501 0.652,502 0.743,503 0.499,504 0.687,505 1.178,506 1.325,507 1.059,508 1.167,509 1.044,510 1.1,511 1.087,512 0.943,513 0.957,514 0.938,515 1.089,516 0.925,517 1.09,518 1.28,519 1.051,520 1.306,521 1.378,522 1.205,523 1.405,524 0.886,525 1.148,526 0.942,527 1.621,528 1.005,529 1.384,530 0.658,531 1.058,532 0.668,533 1.453,534 0.795,535 0.62,536 1.347,537 0.916,538 1.326,539 0.601,540 1.196,541 6.5,542 0.153,543 3.111,544 2,545 2.111,546 1.021,547 0.506,548 0.38,549 0.254,550 0.168,551 6599,552 17452,553 1.992,554 44.4,555 3,556 10,558 1,559 3,560 3,564 1.681,565 1.807,566 3.236,567 1.005,568 1,569 1,571 1,573 70.126,574 1.558,575 3.755,576 4.536,577 4.847,578 4.847,579 4.847,580 2.675,581 4.214,582 4.615,583 3.428,584 1028.46,585 7.986,586 12299,588 1,590 1,591 247.133,592 1.554,593 4.541,594 0.241,595 0.012,596 0.08,597 0.049,598 0.056,599 0.03,600 0.019,601 0.016,602 0.011,603 0.01,604 0.522,605 0.5,606 1,607 0.866,608 119.85,609 -0.093,610 -0.225,611 0.035,612 -0.056,613 -0.148,614 0.001,615 0.182,616 0.184,617 0.271,618 0.249,619 0.174,620 0.27,621 -0.166,622 -0.171,623 -0.162,624 -0.175,625 -0.114,626 -0.167,627 -0.005,628 0.068,629 0.019,630 0.031,631 0.032,632 0.034,633 0.024,634 -0.278,635 -0.101,636 -0.293,637 0.012,638 -0.229,639 -0.046,640 0.068,641 -0.122,642 -0.01,643 -0.035,644 -0.069,645 -0.163,646 0.287,647 -0.033,648 0.273,649 -0.183,650 0.16,651 0.066,652 -0.369,653 0.005,654 -0.271,655 0.103,656 -0.164,657 1.925,658 5.771,659 0.64,660 19.904,661 1.003,662 1.136,663 2.827,664 7.99,665 0.663,666 3.332,667 3.689,668 3.932,669 4.205,670 4.466,671 4.5,672 4.564,673 4.575,674 4.615,675 4.625,676 5.917,677 0.634,678 336.44,679 3.332,680 4.89,681 5.74,682 6.632,683 7.504,684 8.398,685 9.279,686 10.174,687 11.06,688 11.955,689 13.3,693 1,695 1,696 1,699 3,703 2,704 5,705 3,709 6,711 17,718 1,722 1,726 1,731 45,733 18,734 1,735 27,737 47,738 18,739 13,740 4,741 2,742 1,746 3,747 4,752 2,761 14,762 4,766 1,771 1,775 1,777 1,778 1,781 20,782 7,783 3,784 7,790 6,794 0.667,795 1,805 1,806 1,812 3,816 1,840 2,844 4,848 25,849 1,855 1,859 1,870 2.2,873 1,877 13.833,878 9.467,879 5.389,880 2.461,881 3.357,882 1.47,883 0.985,884 4.556,885 10.499,886 3.624,887 4.29,888 4.902,889 5.536,890 6.151,891 6.422,892 6.772,893 7.074,894 7.399,895 7.529,896 1,897 41,898 9.199,900 3.848,901 7.8,902 17.285,904 13.681,905 2.3,906 57.5,910 200.109,911 106.929,912 104.389,914 25.145,917 106.929,918 225.254,919 104.389,920 34.443,921 18.011,922 70.802,923 91.977,924 28.345,925 4.656,926 188.338,928 200.109,929 211.318,930 25.145,933 202.437,934 25.145,937 46.853,938 111.781,939 50.357,941 200.109,942 129.534,943 106.929,946 200.109,947 25.533,948 84.52,949 18.011,950 108.399,951 200.109,952 129.534,953 106.929,955 0.595,956 0.342,957 0.183,958 0.107,959 19,960 10,961 0.064,962 3,963 1,964 1.125,965 3.559,966 207.581,967 0.125,968 16,969 114.096,974 17.12,975 6.653,976 3.541,977 1.225,978 129.534,979 8.959,980 12.876,984 3.707,986 50.908,987 436.571,988 36.5,993 12.771,997 -0.259,999 45.123,1000 51.106,1001 0.284,1002 0.684,1003 0.826,1004 0.883,1005 0.883,1006 0.883,1007 4.869,1008 1.265,1009 5.759,1010 5.061,1011 4.369,1012 4.977,1013 1.435,1014 6.589,1015 4.295,1016 6.117,1017 1.004,1018 7.338,1019 3.128,1020 4.111,1021 4.945,1022 0.325,1023 7.519,1024 4.012,1025 7.447,1026 1,1027 9.011,1028 2.692,1029 5.989,1030 7.261,1031 1.379,1032 10.615,1033 5.851,1034 8.81,1035 0.228,1036 10.737,1037 2.275,1038 6.463,1039 7.992,1040 0.268,1041 12.345,1042 6.306,1043 10.2,1044 -0.113,1045 12.498,1046 0.599,1047 7.881,1048 9.844,1049 1.406,1050 14.993,1051 7.693,1052 11.611,1053 -0.432,1054 14.283,1055 -0.274,1056 8.698,1057 10.96,1058 0.188,1059 17.094,1060 8.496,1061 13.04,1062 -0.667,1063 16.087,1064 -1.145,1065 9.937,1066 12.616,1067 1.462,1068 19.584,1069 9.71,1070 3.219,1071 -0.702,1072 17.907,1073 -1.663,1074 10.924,1075 13.937,1076 0.125,1077 21.857,1078 10.685,1079 2.8,1080 11.201,1081 19.74,1082 -2,1083 12.095,1084 15.51,1085 1.533,1086 24.292,1087 11.837,1088 2.636,1089 8.474,1090 21.584,1091 4.614,1092 13.164,1093 16.935,1094 0.082,1095 26.643,1096 12.896,1097 2.344,1098 8.188,1099 23.437,1100 3.698,1101 14.314,1102 18.475,1103 1.613,1104 29.062,1105 14.031,1106 2.214,1107 6.859,1108 25.298,1109 3.456,1110 15.425,1111 19.953,1112 0.054,1113 31.447,1114 15.131,1115 1.98,1116 6.276,1117 27.167,1118 3.1,1119 16.571,1120 21.482,1121 1.698,1122 33.861,1123 16.264,1124 1.739,1125 5.525,1126 29.041,1127 2.886,1128 17.704,1129 22.984,1130 0.035,1131 36.263,1132 17.386,1133 6544,1134 10784,1135 17.224,1136 29.819,1137 41.419,1138 42.147,1139 42.781,1140 40.852,1141 40.855,1142 54.966,1143 3.717,1144 120.556,1145 39.3,1146 5.492,1147 5.615,1148 6.211,1149 5.274,1150 5.219,1151 7.614,1152 2.117,1153 18.571,1154 5.164,1155 15.508,1156 1.534,1157 1.561,1158 1.584,1159 1.513,1160 1.513,1161 2.036,1162 0.138,1163 4.465,1164 1.456,1165 4.094,1166 4.124,1167 4.068,1168 4.008,1169 7.429,1170 4.018,1171 3.894,1172 3.944,1173 3.845,1174 3.761,1175 5.208,1176 3.775,1177 3.572,1178 3.632,1179 3.504,1180 3.402,1181 4.893,1182 3.417,1183 3.479,1184 3.56,1185 3.361,1186 3.252,1187 4.758,1188 3.269,1189 3.311,1190 3.361,1191 3.197,1192 3.117,1193 4.438,1194 3.128,1195 3.18,1196 3.276,1197 2.997,1198 3.002,1199 4.224,1200 2.985,1201 2.948,1202 3.048,1203 2.801,1204 2.711,1205 3.92,1206 2.716,1207 2.874,1208 3.009,1209 2.632,1210 2.618,1211 3.837,1212 2.571,1213 0.173,1214 0.134,1215 0.252,1216 0.156,1217 0.119,1218 4.659,1219 0.171,1220 3.615,1221 0.039,1222 6.797,1223 0.415,1224 4.201,1225 0.117,1226 3.219,1227 4.614,1228 1.058,1229 11.201,1230 3.164,1231 2.036,1232 2.013,1233 2.096,1234 2.14,1235 1.239,1236 2.127,1237 1.837,1238 1.795,1239 1.946,1240 2.001,1241 1.003,1242 1.987,1243 1.525,1244 1.465,1245 1.738,1246 1.733,1247 0.78,1248 1.733,1249 1.433,1250 1.349,1251 1.715,1252 1.685,1253 0.774,1254 1.702,1255 1.246,1256 1.201,1257 1.533,1258 1.482,1259 0.618,1260 1.477,1261 1.188,1262 1.105,1263 1.417,1264 1.439,1265 0.469,1266 1.46,1267 0.934,1268 0.804,1269 1.396,1270 1.239,1271 0.381,1272 1.308,1273 0.884,1274 0.802,1275 1.172,1276 1.208,1277 0.172,1278 1.208,1279 4.007,1281 5.352,1283 6.887,1285 8.515,1287 10.195,1289 7.474,1293 5.995,1296 2.861,1300 1.891,1305 28.531,1306 70.126,1307 168.994,1308 204.114,1309 218.114,1310 218.114,1311 218.114,1312 42.587,1313 7.142,1314 97.03,1315 97.03,1316 18,1317 12.482,1318 4.248,1319 3.392,1320 41.767,1321 87,1322 94,1323 0.235,1324 179.668,1325 301.21,1326 430.15,1327 11343,1329 18.137,1330 0.725,1331 0.586,1332 18.137,1333 14.661,1334 11.846,1335 0.439,1336 0.29,1337 7.717,1338 11.369,1339 7.353,1340 6.222,1341 11.846,1342 7.841,1343 11.36,1344 0.291,1345 0.157,1346 11.36,1347 6.118,1348 8.899,1349 0.178,1350 0.076,1351 8.899,1352 3.795,1353 7.512,1354 0.114,1355 0.04,1356 7.512,1357 2.612,1358 6.23,1359 0.072,1360 0.021,1361 6.23,1362 1.769,1363 0.364,1364 74.366,1365 0.241,1366 24.048,1367 0.657,1368 132,1369 383.961,1370 145.038,1371 380.279,1372 524.08,1373 354,1374 155,1375 394.946,1376 168.178,1377 406.21,1378 588.76,1379 378,1380 7.921}
{0 CHEMBL1668275,1 1.608,2 8.958,3 1.123,4 1.262,5 88.075,6 8.378,7 0.778,8 3.781,9 3.906,10 3.447,11 3.335,12 5.011,13 3.349,14 4.241,15 4.393,16 3.831,17 3.716,18 5.483,19 3.715,20 4.437,21 4.617,22 3.861,23 3.787,24 5.661,25 3.779,26 4.448,27 4.638,28 3.789,29 3.731,30 5.734,31 3.709,32 4.409,33 4.608,34 3.632,35 3.632,36 5.671,37 3.594,38 4.325,39 4.543,40 3.525,41 3.54,42 5.6,43 3.482,44 4.265,45 4.498,46 3.379,47 3.443,48 5.456,49 3.389,50 4.026,51 4.24,52 3.292,53 3.351,54 5.107,55 3.291,56 0.077,57 0.639,58 6.129,59 2.734,60 9.426,61 3.237,62 0.202,63 0.983,64 10.89,65 4.769,66 19.161,67 6.011,68 0.256,69 1.138,70 14.652,71 5.3,72 28.276,73 6.539,74 0.322,75 1.092,76 15.676,77 5.666,78 38.352,79 7.089,80 0.341,81 0.998,82 15.863,83 5.594,84 46.916,85 6.894,86 0.33,87 0.894,88 15.477,89 5.694,90 44.914,91 7.535,92 0.402,93 0.819,94 15.914,95 5.045,96 53.218,97 6.38,98 0.144,99 0.702,100 11.106,101 4.348,102 22.164,103 5.847,104 10,105 39,106 0.281,107 0.685,108 0.834,109 0.887,110 0.887,111 0.887,112 3.229,113 0.821,114 -3.48,115 -3.45,116 -3.3,119 44.7,120 1,142 5,143 3,144 1,145 1,146 1,147 1,149 1,151 1,158 1,161 1,163 1,164 1,165 1,172 6,174 1,175 7,177 1,178 3,180 5,183 5,185 1,187 6,190 1,192 4,195 2,197 1,198 1,199 6,201 1,202 2,204 6,207 3,209 3,211 1,212 4,216 1,217 2,220 4,222 1,223 1,224 4,226 1,227 2,228 1,229 1,231 1,232 5,236 1,237 3,240 1,242 1,245 4,250 3,255 2,258 4,260 1,262 1,263 2,265 1,266 2,268 3,271 2,273 1,275 752,276 16.24,277 16.24,278 16.24,279 16.24,280 16.24,281 13.655,282 13.107,283 9.406,284 16.544,285 13.337,286 13.337,287 13.337,288 13.337,289 13.337,290 9.417,291 16.58,292 4.46,293 13.824,294 3.639,295 1.336,296 0.483,297 0.178,298 0.178,299 0.178,300 3.926,304 1,305 1,306 477,307 2.828,310 53.239,311 168.428,314 90.699,315 95.869,318 1.302,319 24.49,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52,331 215,332 4.635,333 3.61,334 6.779,335 4.174,336 3.194,337 4.585,338 1.058,339 11.113,340 3.133,341 4.426,342 3.082,343 6.197,344 3.911,345 2.944,346 4.366,348 9.271,349 2.846,350 4.001,351 2.937,352 5.994,353 3.617,354 2.638,355 3.466,357 8.377,358 2.576,359 3.629,360 2.374,361 5.314,362 3.201,363 2.244,364 3.05,366 6.756,367 2.146,368 3.523,369 2.312,370 5.016,371 3.071,372 2.121,373 2.929,375 5.938,376 2.009,377 3.177,378 2.175,379 4.871,380 2.696,381 1.725,382 2.388,384 5.061,385 1.663,386 3.034,387 1.534,388 4.367,389 2.481,390 1.534,391 2.301,393 4.208,394 1.448,395 2.883,396 1.434,397 3.969,398 2.386,399 1.395,400 2.059,402 3.209,403 1.381,404 2.597,405 1.304,406 3.771,407 2.083,408 1.128,409 1.642,411 2.798,412 1.074,413 2.483,414 1.131,415 3.442,416 1.986,417 1,418 1.427,420 2.393,421 0.98,422 1.95,423 0.638,424 3.06,425 1.41,426 0.468,427 0.685,428 1.13,429 0.439,430 1.388,431 0.32,432 2.836,433 0.962,434 0.011,435 0.014,436 0.029,437 0.01,438 1.148,439 0.143,440 2.7,441 0.722,442 -0.271,443 -0.365,445 -0.705,446 -0.266,447 0.962,448 -0.235,449 2.475,450 0.487,451 -0.455,452 -0.584,454 -1.164,455 -0.426,456 0.731,457 -0.473,458 2.327,459 0.301,460 -0.693,461 -0.959,463 -1.657,464 -0.687,465 11.233,466 0.468,467 0.644,468 0.027,469 37,470 1.542,471 20.5,472 0.854,473 16.5,474 0.688,475 14.72,476 0.613,477 24.167,478 0.636,479 26.135,480 1.089,481 7.374,482 0.307,483 4.24,484 0.177,485 0.11,487 0.401,493 0.915,494 1.213,495 0.712,496 0.875,497 0.769,498 0.765,499 0.588,500 1.088,501 0.671,502 0.949,503 0.537,504 0.848,505 1.192,506 1.166,507 0.989,508 1.001,509 1.024,510 0.956,511 1.157,512 1.063,513 1.035,514 1.071,515 1.175,516 1.038,517 1.397,518 1.048,519 1.183,520 1.121,521 1.69,522 1.124,523 0.889,524 0.904,525 0.968,526 1.071,527 1.043,528 1.052,529 1.54,530 0.672,531 1.107,532 0.708,533 1.888,534 0.827,535 0.772,536 1.136,537 0.841,538 1.024,539 0.773,540 0.971,541 5,542 0.101,543 2.889,544 1.944,545 1.506,546 0.837,547 0.37,548 0.318,549 0.188,550 0.142,551 6506,552 18388,553 2.135,554 36.8,556 5,557 1,558 1,559 4,560 3,564 1.67,565 2,566 3.172,567 1.819,568 1,569 1,571 1,573 61.122,574 1.608,575 3.912,576 4.765,577 5.07,578 5.07,579 5.07,580 2.519,581 4.137,582 4.562,583 3.33,584 918.954,585 7.872,586 10610.8,587 1,588 1,591 199.421,592 1.406,593 4.518,594 0.185,595 0.008,596 0.074,597 0.05,598 0.043,599 0.029,600 0.014,601 0.014,602 0.009,603 0.008,604 0.434,605 0.33,606 1,607 0.566,608 112.929,609 -0.168,610 -0.077,611 0.013,612 0.056,613 -0.167,614 0.071,615 0.2,616 -0.008,617 0.131,618 0.004,619 0.106,620 0.041,621 -0.196,622 -0.108,623 -0.108,624 -0.077,625 -0.113,626 -0.071,627 -0.043,628 -0.054,629 -0.1,630 -0.126,631 0.026,632 -0.12,633 -0.145,634 -0.085,635 -0.203,636 -0.159,637 -0.173,638 -0.185,639 0.199,640 0.011,641 0.052,642 -0.065,643 0.214,644 -0.039,645 -0.191,646 0.233,647 -0.029,648 0.287,649 -0.252,650 0.177,651 -0.014,652 -0.212,653 0.126,654 0.006,655 -0.006,656 0.067,657 1.935,658 5.677,659 0.792,660 16.583,661 1.012,662 1.128,663 2.247,664 5.049,665 0.698,666 3.332,667 3.689,668 3.989,669 4.29,670 4.489,671 4.543,672 4.615,673 4.727,674 4.71,675 4.779,676 5.606,677 0.683,678 318.37,679 3.332,680 4.89,681 5.759,682 6.655,683 7.537,684 8.435,685 9.321,686 10.219,687 11.107,688 12.005,689 15.8,693 1,696 1,697 1,699 3,703 4,704 7,705 3,706 1,709 4,711 21,718 1,722 1,731 38,733 22,734 1,735 27,737 41,738 17,739 15,740 3,741 3,742 1,746 4,747 6,752 1,761 16,762 1,766 1,771 1,775 1,777 1,778 1,781 14,782 6,783 4,784 7,790 6,794 0.5,795 1,805 1,806 1,807 1,811 1,812 3,815 1,816 1,840 2,844 1,848 24,849 1,855 1,870 2.6,873 1,877 12,878 7.183,879 5.139,880 2.108,881 4.254,882 1.572,883 1.061,884 3.4,885 11.686,886 3.676,887 4.379,888 5.054,889 5.72,890 6.269,891 6.597,892 6.971,893 7.362,894 7.533,895 7.766,896 0.833,897 39,898 8.822,900 3.841,901 7.833,902 16.503,904 13.575,905 2.333,906 56,910 117.711,911 98.609,912 118.05,914 25.145,917 98.609,918 142.856,919 118.05,920 8.825,921 18.011,922 89.326,923 93.693,924 41.393,925 14.099,926 94.169,928 117.711,929 216.66,930 25.145,933 120.039,934 25.145,937 56.528,938 107.447,939 50.357,941 117.711,942 143.195,943 98.609,946 117.711,947 24.308,948 74.301,949 34.796,950 108.399,951 117.711,952 143.195,953 98.609,955 0.591,956 0.353,957 0.2,958 0.104,959 21,960 9,961 0.049,962 2,963 2,964 1.211,965 3.609,966 204.167,967 0.211,968 19,969 110.039,974 14.608,975 5.585,976 2.607,977 2.894,978 126.409,979 12.441,980 12.767,981 3.014,984 1.944,986 67.693,987 359.515,988 38.5,993 12.677,997 -0.269,999 38.473,1000 42.86,1001 0.306,1002 0.745,1003 0.908,1004 0.966,1005 0.966,1006 0.966,1007 4.907,1008 1.395,1009 5.759,1010 4.208,1011 4.369,1012 5.066,1013 1.176,1014 6.597,1015 4.303,1016 6.157,1017 1.128,1018 7.334,1019 3.209,1020 4.007,1021 4.997,1023 7.526,1024 3.929,1025 7.491,1026 1,1027 9.007,1028 2.798,1029 5.989,1030 7.41,1031 1.255,1032 10.648,1033 5.866,1034 8.863,1035 0.468,1036 10.737,1037 2.393,1038 6.431,1039 8.176,1041 12.404,1042 6.302,1043 10.265,1044 0.011,1045 12.505,1046 1.13,1047 7.895,1048 10.056,1049 1.338,1050 15.045,1051 7.728,1052 11.691,1053 -0.271,1054 14.298,1055 0.029,1056 8.71,1057 11.217,1059 17.154,1060 8.534,1061 13.134,1062 -0.455,1063 16.111,1064 -0.705,1065 9.968,1066 12.878,1067 1.422,1068 19.629,1069 9.762,1070 3.194,1071 -0.693,1072 17.938,1073 -1.164,1074 10.957,1075 14.226,1077 21.893,1078 10.739,1079 2.944,1080 11.113,1081 19.777,1082 -1.657,1083 12.134,1084 15.795,1085 1.51,1086 24.311,1087 11.891,1088 2.638,1089 9.271,1090 21.626,1091 4.585,1092 13.203,1093 17.229,1095 26.646,1096 12.944,1097 2.244,1098 8.377,1099 23.483,1100 4.366,1101 14.351,1102 18.761,1103 1.599,1104 29.046,1105 14.071,1106 2.121,1107 6.756,1108 25.346,1109 3.466,1110 15.457,1111 20.234,1113 31.415,1114 15.16,1115 1.725,1116 5.938,1117 27.215,1118 3.05,1119 16.597,1120 21.751,1121 1.69,1122 33.812,1123 16.28,1124 1.534,1125 5.061,1126 29.088,1127 2.929,1128 17.722,1129 23.243,1131 36.197,1132 17.387,1133 6087,1134 10361,1135 18.205,1136 26.534,1137 41.308,1138 41.898,1139 42.003,1140 40.766,1141 40.802,1142 57.829,1143 2.117,1144 120.564,1145 39.412,1146 5.466,1147 5.61,1148 6.291,1149 5.247,1150 5.194,1151 7.585,1152 2.117,1153 18.46,1154 5.133,1155 10.358,1156 1.53,1157 1.552,1158 1.556,1159 1.51,1160 1.511,1161 2.142,1162 0.078,1163 4.465,1164 1.46,1165 4.116,1166 4.155,1167 4.083,1168 4.008,1169 7.429,1170 4.022,1171 4.05,1172 4.086,1173 4.02,1174 3.948,1175 5.211,1176 3.961,1177 3.574,1178 3.626,1179 3.522,1180 3.382,1181 5.065,1182 3.408,1183 3.444,1184 3.506,1185 3.353,1186 3.284,1187 4.763,1188 3.294,1189 3.232,1190 3.298,1191 3.146,1192 3.062,1193 4.437,1194 3.075,1195 3.077,1196 3.148,1197 2.934,1198 2.864,1199 4.379,1200 2.864,1201 2.856,1202 2.938,1203 2.755,1204 2.63,1205 3.98,1206 2.655,1207 2.794,1208 2.893,1209 2.655,1210 2.508,1211 3.793,1212 2.544,1213 0.172,1214 0.134,1215 0.251,1216 0.155,1217 0.118,1218 4.635,1219 0.17,1220 3.61,1221 0.039,1222 6.779,1223 0.412,1224 4.174,1225 0.116,1226 3.194,1227 4.585,1228 1.058,1229 11.113,1230 3.133,1231 2.024,1232 2,1233 2.082,1234 2.134,1235 1.197,1236 2.119,1237 1.869,1238 1.838,1239 1.939,1240 2.004,1241 1.043,1242 1.985,1243 1.482,1244 1.426,1245 1.697,1246 1.709,1247 0.739,1248 1.694,1249 1.464,1250 1.396,1251 1.639,1252 1.672,1253 0.613,1254 1.678,1255 1.263,1256 1.221,1257 1.424,1258 1.499,1259 0.415,1260 1.484,1261 1.096,1262 1.02,1263 1.321,1264 1.378,1265 0.326,1266 1.373,1267 0.932,1268 0.884,1269 1.12,1270 1.116,1271 0.198,1272 1.124,1273 0.693,1274 0.595,1275 1.013,1276 1.04,1278 1.042,1279 4.007,1281 5.352,1282 2.398,1283 6.893,1284 4.595,1285 8.529,1286 6.581,1287 10.216,1289 1.744,1293 5.933,1296 2.855,1305 25.95,1306 61.122,1307 148.65,1308 181.057,1309 192.666,1310 192.666,1311 192.666,1312 33.967,1313 7.432,1314 109.58,1315 109.58,1316 23,1317 12.53,1318 4.524,1319 3.644,1320 33.858,1321 81,1322 70,1323 0.205,1324 159.755,1325 258.01,1326 381.561,1327 17320,1329 16.681,1330 0.695,1331 0.536,1332 16.681,1333 12.869,1334 11.614,1335 0.43,1336 0.274,1337 7.285,1338 11.183,1339 7.114,1340 5.907,1341 11.614,1342 7.39,1343 10.819,1344 0.277,1345 0.14,1346 10.819,1347 5.451,1348 9.189,1349 0.173,1350 0.071,1351 9.189,1352 3.77,1353 8.182,1354 0.114,1355 0.037,1356 8.182,1357 2.682,1358 6.307,1359 0.072,1360 0.019,1361 6.307,1362 1.697,1363 0.318,1364 72.684,1365 0.234,1366 23.176,1367 0.577,1368 132,1369 388.649,1370 145.011,1371 385.042,1372 537.16,1373 360,1374 158,1375 410.805,1376 170.845,1377 417.765,1378 612.79,1379 394,1380 9}
{0 CHEMBL1668276,1 1.588,2 8.96,3 1.61,4 2.591,5 93.116,6 8.107,7 0.75,8 3.845,9 3.973,10 3.483,11 3.396,12 5.051,13 3.402,14 4.319,15 4.482,16 3.876,17 3.782,18 5.522,19 3.773,20 4.505,21 4.678,22 3.929,23 3.882,24 5.702,25 3.866,26 4.573,27 4.765,28 3.898,29 3.86,30 5.833,31 3.828,32 4.587,33 4.797,34 3.734,35 3.771,36 5.821,37 3.727,38 4.466,39 4.682,40 3.68,41 3.712,42 5.696,43 3.649,44 4.463,45 4.68,46 3.503,47 3.658,48 5.647,49 3.579,50 4.393,51 4.681,52 3.382,53 3.546,54 5.308,55 3.44,56 0.066,57 0.678,58 7.126,59 3.062,60 9.378,61 3.827,62 0.203,63 1.047,64 13.016,65 5.392,66 20.552,67 7.102,68 0.228,69 1.222,70 16.113,71 5.869,72 26.727,73 7.529,74 0.276,75 1.232,76 18.417,77 6.799,78 36.133,79 8.957,80 0.45,81 1.164,82 20.527,83 6.472,84 63.116,85 8.166,86 0.311,87 1.038,88 18.054,89 6.806,90 44.888,91 9.244,92 0.409,93 1.026,94 18.215,95 5.961,96 56.828,97 7.658,98 0.249,99 0.915,100 19.926,101 6.679,102 37.116,103 9.859,104 17,105 41,106 0.274,107 0.69,108 0.817,109 0.876,110 0.876,111 0.876,112 3.268,113 0.836,114 -3.71,115 -3.68,116 -3.5,119 43.9,120 2,142 4,143 4,144 1,145 1,146 1,147 1,149 1,151 1,158 1,161 1,163 1,164 1,165 1,172 7,174 1,175 7,177 1,178 3,180 5,183 7,185 1,187 6,190 1,192 4,195 3,197 1,198 1,199 8,201 1,202 2,204 7,207 4,209 3,211 1,212 4,216 1,217 2,220 4,222 1,223 1,224 5,226 1,227 2,228 1,229 2,231 1,232 7,234 1,236 1,237 4,240 1,242 1,245 5,250 3,255 2,258 5,260 1,262 1,263 2,265 1,266 2,268 4,271 2,273 1,275 867,276 16.74,277 16.74,278 16.74,279 16.74,280 16.74,281 14.102,282 15.533,283 9.592,284 17.044,285 13.81,286 13.81,287 13.81,288 13.81,289 13.81,290 9.81,291 18.775,292 4.542,293 14.297,294 3.77,295 1.36,296 0.622,297 0.281,298 0.281,299 0.281,300 3.962,303 1,304 1,305 1,306 494,307 2.915,310 55.355,311 176.425,314 94.121,315 100.955,318 1.251,319 25.358,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 54,331 224,332 4.686,333 3.645,334 6.917,335 4.243,336 3.257,337 4.635,338 1.058,339 11.588,340 3.211,341 4.426,342 3.099,343 6.201,344 3.911,345 2.944,346 4.366,348 9.273,349 2.846,350 4.078,351 2.937,352 6.141,353 3.675,354 2.701,355 3.605,357 8.806,358 2.628,359 3.674,360 2.583,361 5.348,362 3.27,363 2.309,364 3.085,366 6.879,367 2.217,368 3.524,369 2.313,370 5.031,371 3.072,372 2.121,373 2.93,375 5.952,376 2.013,377 3.258,378 2.278,379 4.963,380 2.844,381 1.848,382 2.538,384 5.317,385 1.835,386 3.176,387 1.922,388 4.754,389 2.689,390 1.724,391 2.38,393 4.895,394 1.65,395 3.034,396 1.534,397 4.363,398 2.481,399 1.534,400 2.301,402 4.199,403 1.448,404 2.601,405 1.308,406 3.917,407 2.112,408 1.144,409 1.647,411 2.868,412 1.103,413 2.535,414 1.131,415 3.446,416 2.029,417 1.057,418 1.518,420 2.416,421 1.023,422 1.952,423 0.657,424 3.116,425 1.417,426 0.478,427 0.693,428 1.157,429 0.447,430 1.413,431 0.434,432 2.978,433 1.014,434 0.054,435 0.068,436 0.153,437 0.051,438 1.263,439 0.197,440 2.755,441 0.892,442 -0.085,443 -0.11,445 -0.204,446 -0.083,447 1.147,448 0.111,449 2.674,450 0.702,451 -0.303,452 -0.419,454 -0.782,455 -0.298,456 0.819,457 -0.246,458 2.474,459 0.419,460 -0.519,461 -0.633,463 -1.259,464 -0.488,465 11.733,466 0.469,467 0.733,468 0.029,469 37.5,470 1.5,471 20.5,472 0.82,473 17,474 0.68,475 17.134,476 0.685,477 25.467,478 0.621,479 27.189,480 1.088,481 7.431,482 0.297,483 4.594,484 0.184,485 0.148,487 0.426,493 0.903,494 1.229,495 0.736,496 0.91,497 0.773,498 0.802,499 0.568,500 1.044,501 0.631,502 0.891,503 0.513,504 0.792,505 1.172,506 1.183,507 0.991,508 1.026,509 1.038,510 0.978,511 1.018,512 1.174,513 0.977,514 1.172,515 1.027,516 1.086,517 1.735,518 0.933,519 1.266,520 0.977,521 2.075,522 1.043,523 0.782,524 0.969,525 0.888,526 1.082,527 0.891,528 1.029,529 1.565,530 0.893,531 1.37,532 1.019,533 1.885,534 1.15,535 0.657,536 0.809,537 0.67,538 0.719,539 0.605,540 0.704,541 5.5,542 0.101,543 3.111,544 2.382,545 1.697,546 1.142,547 0.451,548 0.365,549 0.245,550 0.166,551 6997,552 19215,553 2.105,554 39,555 3,556 4,557 1,558 1,559 4,560 3,564 1.683,565 1.948,566 3.154,567 1.776,568 1,569 1,571 1,573 65.091,574 1.588,575 3.997,576 4.735,577 5.077,578 5.077,579 5.077,580 2.504,581 4.484,582 4.62,583 3.324,584 997.089,585 8,586 11767.9,587 1,588 1,590 1,591 219.66,592 1.473,593 4.565,594 0.196,595 0.008,596 0.076,597 0.057,598 0.044,599 0.036,600 0.015,601 0.015,602 0.01,603 0.008,604 0.464,605 0.33,606 1,607 0.609,608 118.784,609 -0.148,610 -0.076,611 0.019,612 0.048,613 -0.16,614 0.064,615 0.224,616 0.037,617 0.207,618 0.086,619 0.136,620 0.129,621 -0.182,622 -0.1,623 -0.122,624 -0.089,625 -0.133,626 -0.09,627 0.041,628 -0.163,629 -0.048,630 -0.21,631 0.111,632 -0.153,633 -0.281,634 0.043,635 -0.26,636 -0.035,637 -0.3,638 -0.125,639 0.232,640 -0.042,641 0.098,642 -0.069,643 0.279,644 -0.021,645 -0.277,646 0.074,647 -0.372,648 -0.061,649 -0.355,650 -0.207,651 0.087,652 0.026,653 0.426,654 0.33,655 0.104,656 0.415,657 1.919,658 5.898,659 0.76,660 17.533,661 1.009,662 1.129,663 2.485,664 6.173,665 0.69,666 3.367,667 3.738,668 4.043,669 4.357,670 4.554,671 4.654,672 4.682,673 4.836,674 4.787,675 4.868,676 5.603,677 0.67,678 332.4,679 3.367,680 4.934,681 5.808,682 6.713,683 7.6,684 8.508,685 9.399,686 10.307,687 11.2,688 12.109,689 14.6,693 1,696 1,697 1,699 3,703 4,704 6,705 3,706 1,709 5,711 21,718 1,722 1,731 41,733 22,734 1,735 28,737 44,738 18,739 15,740 4,741 2,742 1,746 4,747 6,752 2,761 16,762 2,766 1,771 1,775 1,777 1,778 1,781 16,782 6,783 4,784 7,790 6,794 0.5,795 1,805 1,806 1,807 1,811 1,812 3,815 1,816 1,840 2,844 2,848 25,849 1,855 1,870 2.4,873 1,877 12.833,878 8.1,879 5.333,880 2.31,881 4.273,882 1.569,883 1.05,884 3.627,885 11.782,886 3.701,887 4.416,888 5.091,889 5.767,890 6.319,891 6.682,892 7.026,893 7.454,894 7.596,895 7.845,896 0.833,897 42,898 9.203,900 3.997,901 7.807,902 17.278,904 14.223,905 2.307,906 57.667,910 141.253,911 101.144,912 118.05,914 25.145,917 101.144,918 166.398,919 118.05,920 17.65,921 18.011,922 79.85,923 93.693,924 44.579,925 14.099,926 117.711,928 141.253,929 219.194,930 25.145,933 143.581,934 25.145,937 65.354,938 101.156,939 50.357,941 141.253,942 143.195,943 101.144,946 141.253,947 27.494,948 73.65,949 34.796,950 108.399,951 141.253,952 143.195,953 101.144,955 0.596,956 0.356,957 0.203,958 0.105,959 22,960 10,961 0.045,962 2,963 2,964 1.211,965 3.632,966 218.444,967 0.211,968 19,969 116.096,974 15.548,975 5.832,976 2.707,977 2.92,978 126.409,979 10.875,980 12.88,981 3.023,984 2.821,986 67.693,987 385.592,988 39.5,993 12.898,997 -0.253,999 41.356,1000 46.275,1001 0.296,1002 0.746,1003 0.884,1004 0.948,1005 0.948,1006 0.948,1007 4.943,1008 1.534,1009 5.82,1010 4.895,1011 4.419,1012 5.103,1013 1.176,1014 6.676,1015 4.356,1016 6.202,1017 1.144,1018 7.408,1019 4.199,1020 4.111,1021 5.085,1023 7.647,1024 4.041,1025 7.544,1026 1.057,1027 9.093,1028 2.868,1029 6.057,1030 7.458,1031 1.255,1032 10.779,1033 5.943,1034 8.924,1035 0.478,1036 10.836,1037 2.416,1038 6.538,1039 8.253,1041 12.582,1042 6.422,1043 10.333,1044 0.054,1045 12.616,1046 1.157,1047 7.984,1048 10.113,1049 1.338,1050 15.245,1051 7.832,1052 11.764,1053 -0.085,1054 14.422,1055 0.153,1056 8.83,1057 11.292,1059 17.406,1060 8.675,1061 13.213,1062 -0.303,1063 16.248,1064 -0.204,1065 10.085,1066 12.946,1067 1.422,1068 19.911,1069 9.904,1070 3.257,1071 -0.519,1072 18.09,1073 -0.782,1074 11.099,1075 14.307,1077 22.229,1078 10.912,1079 2.944,1080 11.588,1081 19.945,1082 -1.259,1083 12.283,1084 15.876,1085 1.51,1086 24.683,1087 12.076,1088 2.701,1089 9.273,1090 21.811,1091 4.635,1092 13.374,1093 17.32,1095 27.069,1096 13.158,1097 2.309,1098 8.806,1099 23.686,1100 4.366,1101 14.535,1102 18.855,1103 1.599,1104 29.51,1105 14.303,1106 2.121,1107 6.879,1108 25.567,1109 3.605,1110 15.662,1111 20.338,1113 31.927,1114 15.419,1115 1.848,1116 5.952,1117 27.456,1118 3.085,1119 16.818,1120 21.861,1121 1.69,1122 34.367,1123 16.562,1124 1.724,1125 5.317,1126 29.349,1127 2.93,1128 17.963,1129 23.362,1131 36.799,1132 17.696,1133 6590,1134 11053,1135 18.611,1136 28.296,1137 42.858,1138 43.476,1139 44.063,1140 42.284,1141 42.34,1142 59.535,1143 2.117,1144 127.007,1145 40.949,1146 5.522,1147 5.645,1148 6.429,1149 5.316,1150 5.257,1151 7.635,1152 2.117,1153 19.01,1154 5.211,1155 12.195,1156 1.531,1157 1.553,1158 1.574,1159 1.51,1160 1.512,1161 2.126,1162 0.076,1163 4.536,1164 1.462,1165 4.121,1166 4.159,1167 4.091,1168 4.021,1169 7.429,1170 4.033,1171 4.056,1172 4.092,1173 4.025,1174 3.952,1175 5.209,1176 3.966,1177 3.597,1178 3.651,1179 3.542,1180 3.422,1181 5.065,1182 3.441,1183 3.47,1184 3.531,1185 3.384,1186 3.299,1187 4.759,1188 3.314,1189 3.245,1190 3.321,1191 3.146,1192 3.088,1193 4.442,1194 3.089,1195 3.142,1196 3.196,1197 2.996,1198 2.944,1199 4.38,1200 2.95,1201 2.954,1202 3.073,1203 2.768,1204 2.674,1205 3.98,1206 2.667,1207 2.855,1208 2.936,1209 2.741,1210 2.63,1211 3.816,1212 2.655,1213 0.167,1214 0.13,1215 0.247,1216 0.152,1217 0.116,1218 4.686,1219 0.166,1220 3.645,1221 0.038,1222 6.917,1223 0.414,1224 4.243,1225 0.115,1226 3.257,1227 4.635,1228 1.058,1229 11.588,1230 3.211,1231 2.037,1232 2.015,1233 2.095,1234 2.141,1235 1.241,1236 2.127,1237 1.869,1238 1.838,1239 1.94,1240 2.004,1241 1.044,1242 1.985,1243 1.531,1244 1.475,1245 1.738,1246 1.73,1247 0.784,1248 1.73,1249 1.465,1250 1.396,1251 1.639,1252 1.695,1253 0.631,1254 1.689,1255 1.267,1256 1.221,1257 1.552,1258 1.499,1259 0.613,1260 1.501,1261 1.195,1262 1.123,1263 1.359,1264 1.445,1265 0.378,1266 1.446,1267 0.942,1268 0.892,1269 1.273,1270 1.263,1271 0.206,1272 1.282,1273 0.92,1274 0.811,1275 1.117,1276 1.115,1277 0.159,1278 1.124,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.595,1285 8.595,1286 6.581,1287 10.295,1289 3.624,1293 5.983,1296 2.895,1305 27.477,1306 65.091,1307 163.885,1308 194.15,1309 208.15,1310 208.15,1311 208.15,1312 37.438,1313 7.509,1314 109.58,1315 109.58,1316 23,1317 12.628,1318 4.524,1319 3.644,1320 35.838,1321 83,1322 77,1323 0.21,1324 169.347,1325 275.31,1326 404.967,1327 18774,1329 17.552,1330 0.702,1331 0.552,1332 17.552,1333 13.791,1334 12.025,1335 0.429,1336 0.279,1337 7.702,1338 11.594,1339 7.461,1340 6.219,1341 12.025,1342 7.806,1343 11.357,1344 0.277,1345 0.144,1346 11.357,1347 5.903,1348 9.597,1349 0.171,1350 0.073,1351 9.597,1352 4.103,1353 8.658,1354 0.112,1355 0.038,1356 8.658,1357 2.925,1358 6.48,1359 0.069,1360 0.02,1361 6.48,1362 1.838,1363 0.322,1364 75.148,1365 0.232,1366 23.882,1367 0.597,1368 138,1369 396.649,1370 151.011,1371 393.68,1372 550.23,1373 368,1374 166,1375 421.805,1376 178.845,1377 430.158,1378 631.48,1379 405,1380 6.2}
{0 CHEMBL1668277,1 1.588,2 9,3 1.61,4 2.591,5 93.116,6 8.107,7 0.75,8 3.845,9 3.973,10 3.483,11 3.396,12 5.05,13 3.402,14 4.319,15 4.482,16 3.876,17 3.782,18 5.525,19 3.773,20 4.505,21 4.678,22 3.912,23 3.874,24 5.714,25 3.855,26 4.57,27 4.777,28 3.86,29 3.844,30 5.78,31 3.807,32 4.511,33 4.699,34 3.785,35 3.762,36 5.777,37 3.726,38 4.529,39 4.752,40 3.625,41 3.683,42 5.809,43 3.625,44 4.443,45 4.696,46 3.486,47 3.603,48 5.545,49 3.527,50 4.173,51 4.364,52 3.402,53 3.53,54 5.255,55 3.45,56 0.066,57 0.678,58 7.126,59 3.062,60 9.373,61 3.827,62 0.203,63 1.047,64 13.016,65 5.392,66 20.465,67 7.102,68 0.224,69 1.22,70 16.042,71 5.869,72 27.109,73 7.523,74 0.327,75 1.209,76 19.309,77 6.798,78 41.407,79 9.049,80 0.267,81 1.124,82 17.443,83 6.42,84 39.402,85 8.282,86 0.484,87 1.09,88 19.805,89 6.116,90 68.459,91 7.969,92 0.422,93 0.952,94 20.097,95 6.413,96 56.938,97 8.705,98 0.101,99 0.828,100 12.043,101 5.183,102 19.197,103 6.944,104 17,105 41,106 0.274,107 0.69,108 0.817,109 0.876,110 0.876,111 0.876,112 3.268,113 0.836,114 -3.71,115 -3.68,116 -3.5,119 43.9,120 2,142 4,143 4,144 1,145 1,146 1,147 1,149 1,151 1,158 1,161 1,163 1,164 1,165 1,172 7,174 1,175 7,177 1,178 3,180 5,183 7,185 1,187 6,190 1,192 4,195 4,197 1,198 1,199 6,201 1,202 2,204 6,207 3,209 3,211 1,212 7,216 1,217 4,220 4,222 2,223 1,224 4,226 1,227 2,228 1,229 1,231 1,232 5,236 1,237 3,240 1,242 1,245 6,250 4,255 2,258 5,260 1,262 1,263 2,265 1,266 2,268 3,271 3,273 1,275 866,276 16.687,277 16.687,278 16.687,279 16.687,280 16.687,281 14.077,282 15.533,283 9.598,284 16.992,285 13.837,286 13.837,287 13.837,288 13.837,289 13.837,290 9.835,291 18.05,292 4.588,293 14.324,294 3.77,295 1.36,296 0.622,297 0.281,298 0.281,299 0.281,300 3.962,303 1,304 1,305 1,306 496,307 2.915,310 55.742,311 176.89,314 94.823,315 100.955,318 1.28,319 25.201,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 54,331 225,332 4.659,333 3.616,334 6.797,335 4.202,336 3.22,337 4.614,338 1.058,339 11.201,340 3.165,341 4.426,342 3.107,343 6.197,344 3.911,345 2.945,346 4.366,348 9.271,349 2.847,350 4.005,351 2.937,352 6.001,353 3.617,354 2.64,355 3.482,357 8.411,358 2.576,359 3.696,360 2.529,361 5.316,362 3.283,363 2.316,364 3.13,366 6.776,367 2.24,368 3.582,369 2.326,370 5.115,371 3.151,372 2.183,373 3.005,375 6.274,376 2.11,377 3.353,378 2.219,379 4.913,380 2.947,381 1.979,382 2.663,384 5.525,385 1.906,386 3.176,387 2.113,388 4.835,389 2.689,390 1.72,391 2.388,393 5.048,394 1.655,395 3.034,396 1.534,397 4.366,398 2.481,399 1.534,400 2.301,402 4.207,403 1.448,404 2.601,405 1.335,406 3.986,407 2.088,408 1.132,409 1.647,411 2.948,412 1.079,413 2.494,414 1.131,415 3.444,416 1.99,417 1.003,418 1.439,420 2.401,421 0.983,422 1.951,423 0.641,424 3.11,425 1.412,426 0.47,427 0.687,428 1.14,429 0.441,430 1.568,431 0.467,432 2.987,433 1.175,434 0.213,435 0.275,436 0.559,437 0.204,438 1.148,439 0.267,440 2.746,441 0.736,442 -0.254,443 -0.334,445 -0.673,446 -0.248,447 0.987,448 -0.235,449 2.682,450 0.506,451 -0.432,452 -0.564,454 -1.145,455 -0.402,456 0.746,457 -0.332,458 2.469,459 0.319,460 -0.668,461 -0.811,463 -1.663,464 -0.659,465 11.733,466 0.469,467 0.75,468 0.03,469 37.5,470 1.5,471 20.5,472 0.82,473 17,474 0.68,475 17.004,476 0.68,477 25.467,478 0.621,479 27.146,480 1.086,481 7.415,482 0.297,483 4.593,484 0.184,485 0.148,487 0.426,493 0.903,494 1.229,495 0.736,496 0.91,497 0.775,498 0.802,499 0.568,500 1.044,501 0.631,502 0.891,503 0.505,504 0.792,505 1.177,506 1.219,507 1.032,508 1.08,509 1.034,510 1.032,511 1.063,512 0.998,513 0.947,514 0.995,515 1.113,516 0.959,517 1.239,518 1.267,519 1.084,520 1.272,521 1.486,522 1.184,523 1.516,524 0.82,525 1.266,526 0.953,527 1.708,528 1.053,529 1.33,530 0.62,531 0.959,532 0.655,533 1.612,534 0.746,535 0.718,536 1.355,537 1.038,538 1.343,539 0.767,540 1.277,541 6,542 0.121,543 2.889,544 2.007,545 2.017,546 0.865,547 0.532,548 0.349,549 0.225,550 0.188,551 7053,552 19307,553 2.105,554 39,555 3,556 4,557 1,558 1,559 4,560 3,564 1.682,565 1.948,566 3.171,567 1.776,568 1,569 1,571 1,573 65.091,574 1.588,575 3.997,576 4.735,577 5.077,578 5.077,579 5.077,580 2.504,581 4.484,582 4.62,583 3.334,584 1000.22,585 7.998,586 11861.5,587 1,588 1,590 1,591 219.66,592 1.473,593 4.565,594 0.214,595 0.009,596 0.07,597 0.049,598 0.053,599 0.025,600 0.019,601 0.013,602 0.009,603 0.009,604 0.472,605 0.33,606 1,607 0.609,608 118.988,609 -0.148,610 -0.076,611 0.019,612 0.048,613 -0.162,614 0.064,615 0.224,616 0.037,617 0.207,618 0.086,619 0.144,620 0.129,621 -0.187,622 -0.136,623 -0.164,624 -0.144,625 -0.129,626 -0.146,627 0.011,628 -0.004,629 0.011,630 -0.028,631 0.037,632 -0.009,633 -0.037,634 -0.282,635 -0.139,636 -0.305,637 -0.03,638 -0.252,639 -0.124,640 0.156,641 -0.243,642 -0.017,643 -0.084,644 -0.125,645 -0.092,646 0.26,647 0.123,648 0.352,649 -0.127,650 0.284,651 -0.033,652 -0.391,653 -0.149,654 -0.312,655 -0.07,656 -0.273,657 1.928,658 5.829,659 0.76,660 17.946,661 1.009,662 1.129,663 2.485,664 6.173,665 0.69,666 3.367,667 3.738,668 4.025,669 4.344,670 4.575,671 4.625,672 4.727,673 4.787,674 4.804,675 4.86,676 5.652,677 0.67,678 332.4,679 3.367,680 4.934,681 5.802,682 6.706,683 7.59,684 8.494,685 9.385,686 10.288,687 11.182,688 12.084,689 14.6,693 1,696 1,697 1,699 3,703 4,704 6,705 3,706 1,709 5,711 21,718 1,722 1,731 41,733 22,734 1,735 28,737 44,738 18,739 15,740 4,741 2,742 1,746 4,747 6,752 2,761 16,762 2,766 1,771 1,775 1,777 1,778 1,781 16,782 6,783 4,784 7,790 6,794 0.5,795 1,805 1,806 1,807 1,811 1,812 3,815 1,816 1,840 2,844 2,848 25,849 1,855 1,870 2.4,873 1,877 12.833,878 8.1,879 5.306,880 2.303,881 4.246,882 1.565,883 1.05,884 3.627,885 11.754,886 3.701,887 4.416,888 5.082,889 5.76,890 6.334,891 6.667,892 7.059,893 7.414,894 7.618,895 7.84,896 0.833,897 41,898 9.202,900 3.995,901 7.807,902 17.278,904 14.219,905 2.307,906 57.667,910 141.253,911 101.144,912 118.05,914 25.145,917 101.144,918 166.398,919 118.05,920 17.65,921 18.011,922 79.85,923 93.693,924 44.579,925 14.099,926 117.711,928 141.253,929 219.194,930 25.145,933 143.581,934 25.145,937 65.354,938 101.156,939 50.357,941 141.253,942 143.195,943 101.144,946 141.253,947 27.494,948 73.65,949 34.796,950 108.399,951 141.253,952 143.195,953 101.144,955 0.595,956 0.35,957 0.2,958 0.111,959 22,960 10,961 0.045,962 2,963 2,964 1.211,965 3.645,966 217.556,967 0.211,968 19,969 116.096,974 15.548,975 5.832,976 2.812,977 2.92,978 126.409,979 10.865,980 12.866,981 3.021,984 2.886,986 67.693,987 385.592,988 39.5,993 12.829,997 -0.261,999 41.356,1000 46.275,1001 0.296,1002 0.746,1003 0.884,1004 0.948,1005 0.948,1006 0.948,1007 4.943,1008 1.534,1009 5.814,1010 5.048,1011 4.419,1012 5.103,1013 1.176,1014 6.658,1015 4.356,1016 6.202,1017 1.132,1018 7.393,1019 4.207,1020 4.111,1021 5.085,1023 7.582,1024 4.041,1025 7.542,1026 1.003,1027 9.067,1028 2.948,1029 6.047,1030 7.453,1031 1.255,1032 10.706,1033 5.932,1034 8.918,1035 0.47,1036 10.796,1037 2.401,1038 6.509,1039 8.236,1041 12.444,1042 6.389,1043 10.322,1044 0.213,1045 12.56,1046 1.14,1047 7.953,1048 10.097,1049 1.338,1050 15.097,1051 7.796,1052 11.747,1053 -0.254,1054 14.349,1055 0.559,1056 8.775,1057 11.264,1059 17.2,1060 8.611,1061 13.19,1062 -0.432,1063 16.157,1064 -0.673,1065 10.026,1066 12.919,1067 1.422,1068 19.686,1069 9.833,1070 3.22,1071 -0.668,1072 17.981,1073 -1.145,1074 11.02,1075 14.272,1077 21.953,1078 10.817,1079 2.945,1080 11.201,1081 19.817,1082 -1.663,1083 12.198,1084 15.84,1085 1.51,1086 24.38,1087 11.97,1088 2.64,1089 9.271,1090 21.664,1091 4.614,1092 13.273,1093 17.279,1095 26.722,1096 13.032,1097 2.316,1098 8.411,1099 23.519,1100 4.366,1101 14.425,1102 18.813,1103 1.599,1104 29.132,1105 14.164,1106 2.183,1107 6.776,1108 25.382,1109 3.482,1110 15.538,1111 20.292,1113 31.509,1114 15.263,1115 1.979,1116 6.274,1117 27.251,1118 3.13,1119 16.684,1120 21.812,1121 1.69,1122 33.914,1123 16.391,1124 1.72,1125 5.525,1126 29.125,1127 3.005,1128 17.817,1129 23.309,1131 36.308,1132 17.508,1133 6641,1134 11122,1135 18.611,1136 28.296,1137 43.231,1138 43.836,1139 43.85,1140 42.661,1141 42.708,1142 59.993,1143 2.117,1144 127.526,1145 41.308,1146 5.492,1147 5.616,1148 6.309,1149 5.275,1150 5.22,1151 7.614,1152 2.117,1153 18.572,1154 5.165,1155 12.281,1156 1.544,1157 1.566,1158 1.566,1159 1.524,1160 1.525,1161 2.143,1162 0.076,1163 4.554,1164 1.475,1165 4.121,1166 4.159,1167 4.09,1168 4.02,1169 7.429,1170 4.032,1171 4.056,1172 4.092,1173 4.025,1174 3.952,1175 5.209,1176 3.966,1177 3.586,1178 3.641,1179 3.53,1180 3.408,1181 5.065,1182 3.427,1183 3.49,1184 3.549,1185 3.402,1186 3.317,1187 4.759,1188 3.334,1189 3.244,1190 3.299,1191 3.168,1192 3.082,1193 4.443,1194 3.097,1195 3.178,1196 3.267,1197 2.993,1198 3.002,1199 4.381,1200 2.984,1201 2.915,1202 3.011,1203 2.791,1204 2.639,1205 3.985,1206 2.668,1207 2.84,1208 2.921,1209 2.727,1210 2.568,1211 3.854,1212 2.6,1213 0.166,1214 0.129,1215 0.243,1216 0.15,1217 0.115,1218 4.659,1219 0.165,1220 3.616,1221 0.038,1222 6.797,1223 0.4,1224 4.202,1225 0.113,1226 3.22,1227 4.614,1228 1.058,1229 11.201,1230 3.165,1231 2.036,1232 2.014,1233 2.096,1234 2.141,1235 1.239,1236 2.127,1237 1.869,1238 1.838,1239 1.94,1240 2.004,1241 1.044,1242 1.986,1243 1.524,1244 1.465,1245 1.737,1246 1.724,1247 0.78,1248 1.727,1249 1.465,1250 1.396,1251 1.64,1252 1.696,1253 0.623,1254 1.689,1255 1.298,1256 1.262,1257 1.536,1258 1.533,1259 0.61,1260 1.51,1261 1.188,1262 1.105,1263 1.415,1264 1.44,1265 0.414,1266 1.469,1267 1.012,1268 0.953,1269 1.229,1270 1.252,1271 0.267,1272 1.259,1273 0.763,1274 0.671,1275 1.06,1276 1.067,1277 0.031,1278 1.068,1279 4.043,1281 5.398,1282 2.398,1283 6.942,1284 4.595,1285 8.582,1286 6.581,1287 10.274,1289 3.657,1293 6.002,1296 2.882,1305 27.477,1306 65.091,1307 163.885,1308 194.15,1309 208.15,1310 208.15,1311 208.15,1312 37.008,1313 7.509,1314 109.58,1315 109.58,1316 23,1317 12.606,1318 4.524,1319 3.644,1320 35.851,1321 84,1322 77,1323 0.208,1324 169.347,1325 275.31,1326 404.967,1327 18743,1329 17.552,1330 0.702,1331 0.552,1332 17.552,1333 13.791,1334 12.008,1335 0.429,1336 0.279,1337 7.696,1338 11.577,1339 7.451,1340 6.216,1341 12.008,1342 7.8,1343 11.465,1344 0.28,1345 0.145,1346 11.465,1347 5.958,1348 9.463,1349 0.172,1350 0.073,1351 9.463,1352 3.989,1353 8.435,1354 0.111,1355 0.038,1356 8.435,1357 2.896,1358 6.847,1359 0.071,1360 0.02,1361 6.847,1362 1.913,1363 0.32,1364 75.047,1365 0.232,1366 23.919,1367 0.588,1368 138,1369 396.649,1370 151.011,1371 394.029,1372 549.75,1373 368,1374 165,1375 420.805,1376 177.845,1377 429.757,1378 629.47,1379 404,1380 7.367}
{0 CHEMBL1668278,1 1.64,2 7.333,3 0.851,4 0.725,5 77.921,6 8.067,7 0.696,8 3.686,9 3.824,10 3.311,11 3.188,12 4.92,13 3.2,14 4.145,15 4.321,16 3.677,17 3.551,18 5.367,19 3.55,20 4.295,21 4.473,22 3.704,23 3.646,24 5.509,25 3.635,26 4.38,27 4.567,28 3.74,29 3.656,30 5.688,31 3.636,32 4.438,33 4.643,34 3.611,35 3.601,36 5.735,37 3.573,38 4.316,39 4.534,40 3.492,41 3.536,42 5.543,43 3.462,44 4.31,45 4.548,46 3.204,47 3.408,48 5.433,49 3.308,50 4.205,51 4.548,52 2.84,53 3.09,54 5.017,55 2.931,56 0.097,57 0.591,58 6.31,59 2.512,60 9.773,61 3.281,62 0.206,63 0.876,64 11.439,65 4.267,66 20.735,67 5.895,68 0.26,69 0.975,70 13.379,71 4.62,72 25.937,73 6.133,74 0.264,75 0.992,76 15.2,77 5.499,78 31.372,79 7.462,80 0.483,81 0.956,82 17.819,83 5.096,84 65.05,85 6.777,86 0.308,87 0.871,88 15.584,89 5.732,90 44.476,91 8.065,92 0.38,93 0.836,94 16.014,95 4.612,96 48.198,97 6.518,98 0.29,99 0.643,100 18.246,101 4.661,102 33.163,103 7.883,104 17,105 33,106 0.297,107 0.735,108 0.828,109 0.869,110 0.869,111 0.869,112 3.105,113 0.834,114 -2.88,115 -2.89,116 -2.79,119 40,120 2,142 2,143 3,144 1,145 1,146 1,147 1,149 1,151 1,158 1,163 1,164 1,165 1,168 1,172 5,174 1,175 6,177 1,178 2,180 2,183 6,185 1,187 4,190 1,191 1,192 2,195 3,197 1,198 1,199 7,201 1,202 2,204 6,207 3,209 3,211 1,212 3,215 1,217 3,220 2,222 1,223 1,224 3,226 1,227 2,228 1,229 3,231 1,232 2,234 1,236 1,237 3,240 1,242 3,250 1,255 1,262 1,263 1,265 1,266 2,267 1,268 1,270 1,275 561,276 13.93,277 13.93,278 13.93,279 13.93,280 13.93,281 11.808,282 15.533,283 8.099,284 14.175,285 11.339,286 11.339,287 11.339,288 11.339,289 11.339,290 8.165,291 18.775,292 3.838,293 11.728,294 3.489,295 1.072,296 0.557,297 0.329,298 0.329,299 0.329,300 3.777,304 1,305 1,306 329,307 2.739,310 53.008,311 98.152,315 84.387,318 1.111,319 22.297,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 154,332 4.686,333 3.645,334 6.917,335 4.242,336 3.257,337 4.635,338 1.058,339 11.588,340 3.211,341 4.1,342 3.096,343 6.149,344 3.705,345 2.734,346 3.63,348 8.829,349 2.651,350 3.892,351 2.623,352 5.423,353 3.456,354 2.493,355 3.451,357 7.145,358 2.397,359 3.537,360 2.506,361 5.031,362 3.085,363 2.131,364 2.944,366 5.953,367 2.031,368 3.291,369 2.284,370 4.964,371 2.887,372 1.887,373 2.548,375 5.317,376 1.875,377 3.201,378 1.922,379 4.775,380 2.716,381 1.763,382 2.437,384 4.97,385 1.673,386 2.63,387 1.319,388 3.934,389 2.186,390 1.227,391 1.68,393 2.984,394 1.174,395 2.489,396 1.307,397 3.39,398 2.002,399 1.01,400 1.44,402 2.345,403 0.996,404 2.118,405 0.618,406 3,407 1.547,408 0.618,409 0.927,411 1.372,412 0.572,413 1.41,414 0.496,415 2.947,416 1,417 0.036,418 0.046,420 0.102,421 0.035,422 1.262,423 0.175,424 2.75,425 0.892,426 -0.088,427 -0.112,428 -0.21,429 -0.086,430 0.971,431 0.109,432 2.612,433 0.565,434 -0.436,435 -0.566,436 -1.111,437 -0.418,438 0.817,439 -0.247,440 2.308,441 0.418,442 -0.539,443 -0.686,445 -1.279,446 -0.527,447 0.407,448 -0.694,449 2,450 0.076,451 -0.91,452 -1.223,454 -2.544,455 -0.895,456 0.077,457 -0.988,458 1.62,459 -0.219,460 -1.204,461 -1.539,463 -3.127,464 -1.184,465 9.733,466 0.463,467 0.613,468 0.029,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 13.889,476 0.661,477 22.067,478 0.63,479 21.27,480 1.013,481 6.152,482 0.293,483 3.906,484 0.186,485 0.178,487 0.411,493 0.855,494 1.21,495 0.748,496 0.94,497 0.762,498 0.83,499 0.628,500 1.124,501 0.628,502 0.911,503 0.534,504 0.789,505 1.138,506 1.053,507 1.012,508 1.003,509 1.088,510 0.979,511 0.933,512 1.201,513 0.898,514 1.224,515 1.013,516 1.087,517 1.686,518 0.939,519 1.254,520 0.95,521 2.066,522 1.023,523 0.656,524 1.091,525 0.914,526 1.213,527 0.785,528 1.15,529 1.399,530 1.035,531 1.473,532 1.178,533 1.502,534 1.323,535 0.612,536 0.833,537 0.735,538 0.733,539 0.299,540 0.739,541 4.5,543 2.444,544 2.097,545 1.404,546 1.056,547 0.315,548 0.234,549 0.111,550 0.056,551 3896,552 11749,553 2.045,554 40,555 3,556 2,557 1,558 1,559 4,560 3,564 1.638,565 1.881,566 2.884,567 1.968,569 1,571 1,573 57.409,574 1.64,575 4.058,576 4.572,577 4.8,578 4.8,579 4.8,580 2.258,581 4.107,582 4.366,583 3.037,584 637.836,585 7.512,586 6603.4,587 1,588 1,591 179.525,592 1.51,593 4.305,594 0.196,596 0.074,597 0.064,598 0.043,599 0.038,600 0.013,601 0.014,602 0.009,603 0.009,604 0.459,605 0.5,606 1,607 0.665,608 92.584,609 -0.096,610 0.002,611 0.014,612 0.061,613 -0.149,614 0.063,615 0.16,616 -0.02,617 0.222,618 0.1,619 0.126,620 0.16,621 -0.179,622 0.055,623 -0.152,624 -0.03,625 -0.168,626 -0.072,627 0.074,628 -0.178,629 0.008,630 -0.221,631 0.138,632 -0.133,633 -0.276,634 0.034,635 -0.269,636 -0.006,637 -0.295,638 -0.114,639 0.243,640 -0.158,641 0.042,642 -0.174,643 0.24,644 -0.126,645 -0.314,646 -0.076,647 -0.488,648 -0.245,649 -0.378,650 -0.384,651 0.104,652 -0.091,653 0.427,654 0.242,655 0.178,656 0.376,657 1.919,658 5.515,659 0.714,660 13.197,661 1.014,662 1.139,663 1.648,664 2.715,665 0.672,666 3.178,667 3.526,668 3.807,669 4.111,670 4.263,671 4.369,672 4.344,673 4.454,674 4.369,675 4.277,676 4.714,677 0.656,678 282.34,679 3.178,680 4.727,681 5.587,682 6.485,683 7.363,684 8.267,685 9.153,686 10.059,687 10.949,688 11.858,689 17.1,693 1,696 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,718 1,722 1,731 35,733 17,734 1,735 23,737 37,738 14,739 11,740 4,741 2,742 1,746 3,747 4,752 2,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 6,783 4,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,816 1,840 2,844 2,848 21,849 1,855 1,870 2.9,873 1,877 11.167,878 6.933,879 4.556,880 1.907,881 3.081,882 1.457,883 1.015,884 3.315,885 9.821,886 3.497,887 4.171,888 4.805,889 5.46,890 5.952,891 6.322,892 6.628,893 7.037,894 7.275,895 7.339,896 0.8,897 33,898 7.706,900 3.282,901 7.897,902 14.314,904 11.456,905 2.397,906 50.333,910 117.711,911 77.903,912 117.805,914 25.145,917 77.903,918 142.856,919 117.805,920 17.65,921 18.011,922 60.897,923 91.855,924 41.883,925 14.099,926 94.169,928 117.711,929 195.708,930 25.145,933 120.039,934 25.145,937 63.516,938 79.631,939 50.234,941 117.711,942 142.95,943 77.903,946 117.711,947 23.205,948 54.698,949 34.674,950 108.276,951 117.711,952 142.95,953 77.903,955 0.59,956 0.349,957 0.199,958 0.099,959 17,960 8,961 0.054,962 2,963 1,964 1.133,965 3.223,966 166.729,967 0.133,968 15,969 92.239,974 13.525,975 5.148,976 2.457,977 1.226,978 126.287,979 6.801,980 12.296,981 2.646,984 2.805,986 67.571,987 338.564,988 32,993 12.515,997 -0.253,999 35.473,1000 39.86,1001 0.32,1002 0.791,1003 0.891,1004 0.936,1005 0.936,1006 0.936,1007 4.727,1008 1.01,1009 5.595,1010 2.984,1011 4.205,1012 4.856,1013 1.176,1014 6.441,1015 4.144,1016 5.974,1017 0.618,1018 7.177,1019 2.345,1020 3.892,1021 4.796,1023 7.416,1024 3.829,1025 7.306,1026 0.036,1027 8.861,1028 1.372,1029 5.826,1030 7.161,1031 1.255,1032 10.558,1033 5.717,1034 8.676,1035 -0.088,1036 10.604,1037 0.102,1038 6.312,1039 7.929,1041 12.384,1042 6.207,1043 10.077,1044 -0.436,1045 12.387,1046 -0.21,1047 7.745,1048 9.773,1049 1.338,1050 15.065,1051 7.605,1052 11.501,1053 -0.539,1054 14.199,1055 -1.111,1056 8.6,1057 10.94,1059 17.253,1060 8.463,1061 12.944,1062 -0.91,1063 16.032,1064 -1.279,1065 9.851,1066 12.582,1067 1.422,1068 19.779,1069 9.688,1070 3.257,1071 -1.204,1072 17.883,1073 -2.544,1074 10.876,1075 13.943,1077 22.119,1078 10.712,1079 2.734,1080 11.588,1081 19.748,1082 -3.127,1083 12.063,1084 15.509,1085 1.51,1086 24.59,1087 11.881,1088 2.493,1089 8.829,1090 21.624,1091 4.635,1092 13.166,1093 16.961,1095 26.993,1096 12.979,1097 2.131,1098 7.145,1099 23.509,1100 3.63,1101 14.335,1102 18.5,1103 1.599,1104 29.447,1105 14.134,1106 1.887,1107 5.953,1108 25.402,1109 3.451,1110 15.474,1111 19.994,1113 31.876,1114 15.265,1115 1.763,1116 5.317,1117 27.302,1118 2.944,1119 16.64,1120 21.526,1121 1.69,1122 34.326,1123 16.419,1124 1.227,1125 4.97,1126 29.206,1127 2.548,1128 17.797,1129 23.039,1131 36.766,1132 17.565,1133 3841,1134 6782,1135 15.027,1136 23.534,1137 34.884,1138 35.318,1139 35.667,1140 34.262,1141 34.311,1142 47.476,1143 2.117,1144 101.208,1145 33.231,1146 5.528,1147 5.645,1148 6.532,1149 5.315,1150 5.257,1151 7.635,1152 2.117,1153 19.009,1154 5.211,1155 10.672,1156 1.517,1157 1.536,1158 1.551,1159 1.49,1160 1.492,1161 2.064,1162 0.092,1163 4.4,1164 1.445,1165 4.094,1166 4.124,1167 4.069,1168 4.007,1169 7.429,1170 4.018,1171 3.88,1172 3.95,1173 3.829,1174 3.667,1175 5.209,1176 3.699,1177 3.571,1178 3.628,1179 3.503,1180 3.408,1181 5.029,1182 3.422,1183 3.305,1184 3.358,1185 3.234,1186 3.111,1187 4.758,1188 3.127,1189 3.188,1190 3.271,1191 3.02,1192 2.973,1193 4.437,1194 2.977,1195 2.956,1196 3.079,1197 2.76,1198 2.674,1199 3.911,1200 2.667,1201 2.801,1202 2.897,1203 2.63,1204 2.529,1205 3.81,1206 2.567,1207 2.55,1208 2.658,1209 2.375,1210 2.266,1211 3.755,1212 2.268,1213 0.204,1214 0.158,1215 0.301,1216 0.184,1217 0.142,1218 4.686,1219 0.202,1220 3.645,1221 0.046,1222 6.917,1223 0.504,1224 4.242,1225 0.14,1226 3.257,1227 4.635,1228 1.058,1229 11.588,1230 3.211,1231 2.035,1232 2.013,1233 2.094,1234 2.138,1235 1.241,1236 2.125,1237 1.562,1238 1.514,1239 1.74,1240 1.773,1241 0.785,1242 1.754,1243 1.491,1244 1.436,1245 1.648,1246 1.69,1247 0.703,1248 1.686,1249 1.25,1250 1.173,1251 1.552,1252 1.626,1253 0.631,1254 1.58,1255 1.233,1256 1.133,1257 1.419,1258 1.465,1259 0.269,1260 1.496,1261 1.063,1262 1.024,1263 1.284,1264 1.304,1265 0.219,1266 1.309,1267 0.923,1268 0.811,1269 1.202,1270 1.232,1271 0.176,1272 1.231,1273 0.678,1274 0.591,1275 0.961,1276 1.016,1278 1.016,1279 3.85,1281 5.187,1282 2.398,1283 6.718,1284 4.443,1285 8.351,1286 6.26,1287 10.044,1289 3.604,1293 5.914,1296 2.776,1305 22.95,1306 57.409,1307 142.015,1308 160.015,1309 168.015,1310 168.015,1311 168.015,1312 32.275,1313 6.741,1314 109.58,1315 109.58,1316 17,1317 12.377,1318 4.17,1319 3.322,1320 31.928,1321 57,1322 57,1323 0.275,1324 144.226,1325 234.65,1326 343.671,1327 6530,1329 14.983,1330 0.713,1331 0.554,1332 14.983,1333 11.637,1334 10.059,1335 0.437,1336 0.278,1337 6.293,1338 9.614,1339 6.083,1340 5.096,1341 10.059,1342 6.396,1343 9.377,1344 0.284,1345 0.144,1346 9.377,1347 4.751,1348 7.673,1349 0.174,1350 0.073,1351 7.673,1352 3.201,1353 6.89,1354 0.115,1355 0.037,1356 6.89,1357 2.236,1358 4.775,1359 0.068,1360 0.019,1361 4.775,1362 1.351,1363 0.41,1364 63.442,1365 0.258,1366 20.296,1367 0.819,1368 112,1369 346.649,1370 124.289,1371 341.524,1372 470.71,1373 318,1374 133,1375 357.186,1376 145.124,1377 362.419,1378 526.88,1379 340,1380 7}
{0 CHEMBL1668279,1 1.64,2 7.381,3 0.851,4 0.725,5 77.921,6 8.067,7 0.696,8 3.686,9 3.824,10 3.311,11 3.188,12 4.92,13 3.2,14 4.145,15 4.321,16 3.677,17 3.551,18 5.37,19 3.55,20 4.295,21 4.472,22 3.683,23 3.636,24 5.523,25 3.62,26 4.376,27 4.581,28 3.695,29 3.636,30 5.626,31 3.611,32 4.349,33 4.528,34 3.669,35 3.592,36 5.686,37 3.572,38 4.389,39 4.615,40 3.426,41 3.501,42 5.675,43 3.433,44 4.286,45 4.567,46 3.175,47 3.346,48 5.294,49 3.246,50 3.925,51 4.156,52 2.974,53 3.12,54 4.946,55 3.013,56 0.097,57 0.591,58 6.31,59 2.512,60 9.773,61 3.281,62 0.206,63 0.876,64 11.439,65 4.267,66 20.747,67 5.895,68 0.256,69 0.97,70 13.312,71 4.619,72 25.384,73 6.131,74 0.315,75 0.965,76 16.067,77 5.469,78 38.217,79 7.517,80 0.297,81 0.936,82 14.756,83 5.11,84 40.175,85 6.862,86 0.483,87 0.894,88 17.35,89 4.99,90 67.572,91 6.908,92 0.404,93 0.761,94 17.866,95 4.967,96 50.725,97 7.349,98 0.094,99 0.607,100 10.122,101 3.697,102 11.555,103 5.54,104 17,105 33,106 0.297,107 0.735,108 0.828,109 0.869,110 0.869,111 0.869,112 3.105,113 0.833,114 -2.88,115 -2.89,116 -2.79,119 40,120 2,142 2,143 3,144 1,145 1,146 1,147 1,149 1,151 1,158 1,163 1,164 1,165 1,168 1,172 5,174 1,175 6,177 1,178 2,180 2,183 6,185 1,187 4,190 1,191 1,192 2,195 4,197 1,198 1,199 5,201 1,202 2,204 5,207 2,209 3,211 1,212 6,215 1,217 5,220 2,222 2,223 1,224 2,226 1,227 2,228 1,229 2,231 1,232 1,236 1,237 2,240 1,242 2,245 1,250 2,255 2,262 1,263 1,265 1,266 2,267 1,268 1,270 1,275 556,276 13.878,277 13.878,278 13.878,279 13.878,280 13.878,281 11.783,282 15.533,283 8.105,284 14.122,285 11.366,286 11.366,287 11.366,288 11.366,289 11.366,290 8.191,291 18.05,292 3.885,293 11.754,294 3.489,295 1.072,296 0.557,297 0.329,298 0.329,299 0.329,300 3.777,304 1,305 1,306 331,307 2.739,310 53.484,311 98.152,315 84.387,318 1.125,319 22.138,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 155,332 4.659,333 3.615,334 6.797,335 4.201,336 3.219,337 4.614,338 1.058,339 11.201,340 3.164,341 4.052,342 3.104,343 6.008,344 3.669,345 2.698,346 3.56,348 8.447,349 2.618,350 3.851,351 2.574,352 5.391,353 3.407,354 2.442,355 3.388,357 7.032,358 2.351,359 3.647,360 2.512,361 5.115,362 3.225,363 2.245,364 3.083,366 6.279,367 2.199,368 3.356,369 2.221,370 4.918,371 2.949,372 1.983,373 2.664,375 5.525,376 1.907,377 3.214,378 2.117,379 4.847,380 2.732,381 1.768,382 2.437,384 5.101,385 1.693,386 2.637,387 1.336,388 4.013,389 2.19,390 1.237,391 1.687,393 3.12,394 1.176,395 2.444,396 1.317,397 3.373,398 1.934,399 0.933,400 1.353,402 2.273,403 0.927,404 2.118,405 0.618,406 3,407 1.547,408 0.618,409 0.927,411 1.372,412 0.572,413 1.567,414 0.488,415 2.969,416 1.174,417 0.212,418 0.273,420 0.554,421 0.203,422 0.988,423 0.278,424 2.746,425 0.588,426 -0.407,427 -0.523,428 -1.065,429 -0.394,430 0.971,431 -0.235,432 2.599,433 0.503,434 -0.44,435 -0.569,436 -1.149,437 -0.417,438 0.741,439 -0.34,440 2.31,441 0.319,442 -0.671,443 -0.813,445 -1.664,446 -0.661,447 0.526,448 -0.537,449 2,450 0.28,451 -0.715,452 -0.997,454 -2.046,455 -0.713,456 0.143,457 -0.829,458 1.62,459 -0.12,460 -1.114,461 -1.424,463 -2.939,464 -1.103,465 9.733,466 0.463,467 0.63,468 0.03,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 13.776,476 0.656,477 22.067,478 0.63,479 21.236,480 1.011,481 6.136,482 0.292,483 3.905,484 0.186,485 0.178,487 0.411,493 0.855,494 1.21,495 0.748,496 0.94,497 0.764,498 0.83,499 0.628,500 1.124,501 0.628,502 0.911,503 0.526,504 0.789,505 1.144,506 1.097,507 1.062,508 1.072,509 1.084,510 1.048,511 0.981,512 0.988,513 0.863,514 1,515 1.105,516 0.928,517 1.181,518 1.335,519 1.046,520 1.308,521 1.472,522 1.191,523 1.404,524 0.914,525 1.335,526 1.056,527 1.612,528 1.175,529 1.173,530 0.657,531 1.019,532 0.699,533 1.237,534 0.82,535 0.51,536 1.61,537 1.065,538 1.588,539 0.324,540 1.462,541 5,543 2.222,544 1.722,545 1.724,546 0.778,547 0.385,548 0.237,549 0.143,550 0.056,551 3932,552 11813,553 2.045,554 40,555 3,556 2,557 1,558 1,559 4,560 3,564 1.638,565 1.881,566 2.908,567 1.968,569 1,571 1,573 57.409,574 1.64,575 4.058,576 4.572,577 4.8,578 4.8,579 4.8,580 2.244,581 4.202,582 4.366,583 3.049,584 640.299,585 7.51,586 6661.64,587 1,588 1,591 179.525,592 1.51,593 4.305,594 0.217,596 0.067,597 0.054,598 0.054,599 0.026,600 0.018,601 0.013,602 0.01,603 0.009,604 0.469,605 0.5,606 1,607 0.665,608 92.772,609 -0.096,610 0.002,611 0.014,612 0.061,613 -0.151,614 0.063,615 0.16,616 -0.02,617 0.222,618 0.1,619 0.134,620 0.16,621 -0.185,622 0.009,623 -0.204,624 -0.101,625 -0.165,626 -0.143,627 0.043,628 0.007,629 0.077,631 0.06,632 0.041,633 -0.013,634 -0.325,635 -0.131,636 -0.317,637 -0.007,638 -0.258,639 -0.143,640 0.043,641 -0.338,642 -0.121,643 -0.141,644 -0.248,645 -0.124,646 0.189,647 0.062,648 0.274,649 -0.147,650 0.209,651 0.058,652 -0.661,653 -0.14,654 -0.564,655 0.052,656 -0.428,657 1.928,658 5.447,659 0.714,660 13.687,661 1.014,662 1.139,663 1.648,664 2.715,665 0.672,666 3.178,667 3.526,668 3.784,669 4.094,670 4.29,671 4.331,672 4.407,673 4.394,674 4.419,675 4.304,676 4.761,677 0.656,678 282.34,679 3.178,680 4.727,681 5.58,682 6.475,683 7.351,684 8.249,685 9.134,686 10.034,687 10.925,688 11.825,689 17.1,693 1,696 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,718 1,722 1,731 35,733 17,734 1,735 23,737 37,738 14,739 11,740 4,741 2,742 1,746 3,747 4,752 2,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 6,783 4,784 7,790 6,794 0.667,795 1,803 1,806 1,811 1,812 2,816 1,840 2,844 2,848 21,849 1,855 1,870 2.9,873 1,877 11.167,878 6.933,879 4.528,880 1.9,881 3.057,882 1.454,883 1.015,884 3.315,885 9.798,886 3.497,887 4.171,888 4.793,889 5.451,890 5.974,891 6.299,892 6.677,893 6.98,894 7.315,895 7.353,896 0.8,897 32,898 7.705,900 3.28,901 7.897,902 14.314,904 11.451,905 2.397,906 50.333,910 117.711,911 77.903,912 117.805,914 25.145,917 77.903,918 142.856,919 117.805,920 17.65,921 18.011,922 60.897,923 91.855,924 41.883,925 14.099,926 94.169,928 117.711,929 195.708,930 25.145,933 120.039,934 25.145,937 63.516,938 79.631,939 50.234,941 117.711,942 142.95,943 77.903,946 117.711,947 23.205,948 54.698,949 34.674,950 108.276,951 117.711,952 142.95,953 77.903,955 0.589,956 0.341,957 0.196,958 0.106,959 17,960 8,961 0.054,962 2,963 1,964 1.133,965 3.237,966 165.964,967 0.133,968 15,969 92.239,974 13.525,975 5.148,976 2.579,977 1.226,978 126.287,979 6.789,980 12.283,981 2.643,984 2.871,986 67.571,987 338.564,988 32,993 12.447,997 -0.261,999 35.473,1000 39.86,1001 0.32,1002 0.791,1003 0.891,1004 0.936,1005 0.936,1006 0.936,1007 4.727,1008 0.933,1009 5.587,1010 3.12,1011 4.205,1012 4.856,1013 1.176,1014 6.418,1015 4.144,1016 5.974,1017 0.618,1018 7.159,1019 2.273,1020 3.892,1021 4.796,1023 7.334,1024 3.829,1025 7.303,1026 0.212,1027 8.827,1028 1.372,1029 5.814,1030 7.154,1031 1.255,1032 10.466,1033 5.704,1034 8.668,1035 -0.407,1036 10.553,1037 0.554,1038 6.275,1039 7.904,1041 12.213,1042 6.166,1043 10.063,1044 -0.44,1045 12.316,1046 -1.065,1047 7.706,1048 9.751,1049 1.338,1050 14.886,1051 7.559,1052 11.479,1053 -0.671,1054 14.107,1055 -1.149,1056 8.531,1057 10.899,1059 17.009,1060 8.383,1061 12.914,1062 -0.715,1063 15.918,1064 -1.664,1065 9.776,1066 12.543,1067 1.422,1068 19.516,1069 9.6,1070 3.219,1071 -1.114,1072 17.746,1073 -2.046,1074 10.777,1075 13.892,1077 21.806,1078 10.595,1079 2.698,1080 11.201,1081 19.589,1082 -2.939,1083 11.956,1084 15.457,1085 1.51,1086 24.253,1087 11.752,1088 2.442,1089 8.447,1090 21.443,1091 4.614,1092 13.04,1093 16.901,1095 26.614,1096 12.827,1097 2.245,1098 7.032,1099 23.307,1100 3.56,1101 14.198,1102 18.439,1103 1.599,1104 29.039,1105 13.967,1106 1.983,1107 6.279,1108 25.18,1109 3.388,1110 15.323,1111 19.928,1113 31.43,1114 15.079,1115 1.768,1116 5.525,1117 27.059,1118 3.083,1119 16.478,1120 21.457,1121 1.69,1122 33.849,1123 16.218,1124 1.237,1125 5.101,1126 28.944,1127 2.664,1128 17.622,1129 22.966,1131 36.253,1132 17.348,1133 3874,1134 6829,1135 15.027,1136 23.534,1137 35.26,1138 35.615,1139 35.472,1140 34.664,1141 34.709,1142 47.973,1143 2.117,1144 101.808,1145 33.619,1146 5.498,1147 5.615,1148 6.412,1149 5.274,1150 5.219,1151 7.614,1152 2.117,1153 18.571,1154 5.164,1155 10.749,1156 1.533,1157 1.548,1158 1.542,1159 1.507,1160 1.509,1161 2.086,1162 0.092,1163 4.426,1164 1.462,1165 4.093,1166 4.124,1167 4.068,1168 4.006,1169 7.429,1170 4.017,1171 3.88,1172 3.951,1173 3.83,1174 3.667,1175 5.209,1176 3.699,1177 3.562,1178 3.622,1179 3.49,1180 3.399,1181 5.029,1182 3.412,1183 3.35,1184 3.394,1185 3.282,1186 3.14,1187 4.759,1188 3.168,1189 3.18,1190 3.277,1191 2.999,1192 3.003,1193 4.438,1194 2.985,1195 2.937,1196 3.044,1197 2.795,1198 2.602,1199 3.934,1200 2.646,1201 2.635,1202 2.75,1203 2.46,1204 2.38,1205 3.803,1206 2.374,1207 2.623,1208 2.736,1209 2.344,1210 2.331,1211 3.669,1212 2.332,1213 0.203,1214 0.157,1215 0.296,1216 0.183,1217 0.14,1218 4.659,1219 0.201,1220 3.615,1221 0.046,1222 6.797,1223 0.487,1224 4.201,1225 0.138,1226 3.219,1227 4.614,1228 1.058,1229 11.201,1230 3.164,1231 2.035,1232 2.012,1233 2.095,1234 2.138,1235 1.238,1236 2.125,1237 1.553,1238 1.505,1239 1.738,1240 1.768,1241 0.78,1242 1.747,1243 1.503,1244 1.446,1245 1.658,1246 1.696,1247 0.712,1248 1.699,1249 1.252,1250 1.167,1251 1.527,1252 1.636,1253 0.611,1254 1.585,1255 1.191,1256 1.117,1257 1.424,1258 1.441,1259 0.353,1260 1.471,1261 1.174,1262 1.105,1263 1.348,1264 1.382,1265 0.242,1266 1.384,1267 0.783,1268 0.687,1269 1.092,1270 1.14,1271 0.036,1272 1.13,1273 0.605,1274 0.496,1275 0.939,1276 0.924,1278 0.945,1279 3.85,1281 5.187,1282 2.398,1283 6.711,1284 4.443,1285 8.334,1286 6.26,1287 10.018,1289 3.64,1293 5.933,1296 2.763,1305 22.95,1306 57.409,1307 142.015,1308 160.015,1309 168.015,1310 168.015,1311 168.015,1312 31.834,1313 6.741,1314 109.58,1315 109.58,1316 17,1317 12.349,1318 4.17,1319 3.322,1320 31.943,1321 58,1322 57,1323 0.271,1324 144.226,1325 234.65,1326 343.671,1327 6518,1329 14.983,1330 0.713,1331 0.554,1332 14.983,1333 11.637,1334 10.042,1335 0.437,1336 0.278,1337 6.287,1338 9.597,1339 6.073,1340 5.093,1341 10.042,1342 6.39,1343 9.485,1344 0.287,1345 0.146,1346 9.485,1347 4.806,1348 7.539,1349 0.175,1350 0.072,1351 7.539,1352 3.087,1353 6.668,1354 0.113,1355 0.037,1356 6.668,1357 2.207,1358 5.141,1359 0.071,1360 0.02,1361 5.141,1362 1.426,1363 0.406,1364 63.341,1365 0.258,1366 20.336,1367 0.804,1368 112,1369 346.649,1370 124.289,1371 341.872,1372 470.23,1373 318,1374 132,1375 356.186,1376 144.124,1377 362.018,1378 524.87,1379 339,1380 7.62}
{0 CHEMBL1669154,1 1.536,2 13.684,3 3.174,4 10.072,5 142.805,6 7.319,7 0.279,8 4.379,9 4.484,10 3.94,11 3.87,12 5.398,13 3.868,14 4.964,15 5.129,16 4.264,17 4.246,18 5.963,19 4.224,20 5.204,21 5.402,22 4.355,23 4.396,24 6.202,25 4.348,26 5.216,27 5.42,28 4.337,29 4.406,30 6.234,31 4.345,32 5.22,33 5.42,34 4.376,35 4.411,36 6.308,37 4.364,38 5.189,39 5.368,40 4.371,41 4.425,42 6.306,43 4.374,44 5.2,45 5.388,46 4.336,47 4.46,48 6.228,49 4.388,50 5.269,51 5.475,52 4.312,53 4.472,54 6.233,55 4.38,56 0.059,57 1.013,58 15.236,59 6.837,60 7.205,61 8.685,62 0.524,63 1.64,64 31.147,65 10.915,66 36.362,67 14.352,68 0.846,69 1.966,70 41.651,71 14.11,72 58.93,73 18.84,74 0.693,75 1.952,76 42.076,77 15.192,78 63.04,79 20.343,80 0.831,81 1.969,82 42.548,83 14.677,84 82.267,85 19.585,86 0.87,87 1.978,88 40.118,89 14.163,90 85.875,91 18.728,92 0.624,93 2.027,94 39.892,95 15.065,96 68.856,97 20.151,98 0.622,99 2.094,100 43.641,101 16.574,102 62.422,103 22.407,104 5,105 60,106 0.24,107 0.556,108 0.732,109 0.808,110 0.841,111 0.841,112 3.668,113 0.935,114 -2.87,115 -2.88,116 -2.79,119 40.8,121 2,122 1,125 10,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 11,174 1,175 8,178 1,180 1,183 10,186 3,187 8,190 2,192 2,195 9,198 2,199 10,204 1,207 9,211 2,212 11,217 2,220 10,223 3,224 10,227 1,229 3,232 9,236 1,237 8,240 1,242 2,245 6,249 2,250 11,255 1,258 4,262 2,263 12,266 2,268 1,271 5,275 2962,276 26.308,277 26.308,278 26.308,279 26.308,280 26.308,281 24.466,282 30.679,283 15.695,284 27.055,285 21.301,286 21.301,287 21.301,288 21.301,289 21.301,290 18.281,291 37.927,292 7.533,293 22.462,294 4.614,295 2.586,296 1.458,297 0.968,298 0.761,299 0.761,300 4.381,305 1,306 1162,307 3.536,308 66.937,311 590.182,315 178.197,318 2.033,319 43.787,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 83.5,331 520,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.282,342 3.63,343 6.254,344 3.906,345 2.944,346 3.878,347 1.138,348 9.446,349 2.842,350 4.009,351 3.189,352 6.118,353 3.693,354 2.753,355 3.362,356 0.86,357 8.975,358 2.636,359 3.794,360 3.142,361 5.938,362 3.637,363 2.65,364 3.043,365 0.86,366 8.233,367 2.59,368 3.703,369 2.957,370 5.497,371 3.553,372 2.598,373 2.853,374 0.86,375 7.413,376 2.46,377 3.635,378 2.81,379 5.469,380 3.444,381 2.469,382 2.653,383 0.815,384 7.326,385 2.377,386 3.317,387 2.666,388 5.07,389 3.06,390 2.084,391 2.446,392 0.643,393 5.781,394 2.009,395 3.208,396 2.41,397 4.837,398 2.81,399 1.833,400 2.309,401 0.163,402 5.36,403 1.793,404 3.006,405 2.213,406 4.539,407 2.724,408 1.807,409 2.099,411 4.675,412 1.631,413 2.879,414 2.132,415 4.301,416 2.487,417 1.552,418 2.001,420 4.065,421 1.445,422 2.846,423 1.948,424 4.146,425 2.394,426 1.432,427 1.933,428 3.421,429 1.373,430 2.605,431 1.787,432 3.804,433 2.253,434 1.373,435 1.592,436 3.081,437 1.197,438 2.426,439 1.403,440 3.57,441 2.164,442 1.196,443 1.416,445 2.977,446 1.146,447 2.21,448 1.378,449 3.478,450 1.952,451 1,452 1.149,454 2.486,455 0.946,456 2,457 1.256,458 3.33,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.7,466 0.466,467 0.794,468 0.021,469 44,470 1.158,471 18,472 0.474,473 26,474 0.684,475 37.454,476 0.986,477 42.3,478 0.596,479 38.063,480 1.002,481 8.631,482 0.227,483 10.006,484 0.263,485 0.038,487 0.328,493 0.797,494 1.434,495 0.768,496 1.225,497 0.561,498 1.024,499 1.182,500 1.102,501 1.001,502 0.994,503 0.699,504 0.957,505 1.139,506 0.887,507 0.998,508 0.903,509 0.982,510 0.915,511 0.992,512 1.019,513 0.906,514 0.999,515 0.877,516 0.949,517 1.11,518 0.964,519 0.917,520 0.9,521 1.326,522 0.873,523 1.094,524 1.064,525 1.064,526 1.017,527 1.606,528 1.03,529 0.907,530 1.101,531 1.051,532 1.118,533 1.199,534 1.11,535 0.83,536 1.152,537 1.011,538 1.185,539 0.799,540 1.146,541 6.5,542 0.257,543 3.833,544 2.097,545 1.968,546 1.507,547 0.927,548 0.541,549 0.427,550 0.311,551 24076,552 58847,553 2.192,554 46.5,555 4,556 27,559 1,561 1,564 1.792,565 2.111,566 3.707,567 -0.374,573 109.021,574 1.536,575 3.564,576 4.692,577 5.181,578 5.389,579 5.389,580 3.228,581 4.596,582 5.216,583 3.89,584 2734.37,585 9.218,586 45175.5,591 436.632,592 1.167,593 5.205,594 0.151,595 0.006,596 0.067,597 0.034,598 0.033,599 0.024,600 0.015,601 0.009,602 0.007,603 0.006,604 0.353,605 0.33,606 0.75,607 0.362,608 210.151,609 -0.029,610 -0.217,611 0.081,612 -0.107,613 -0.001,614 -0.01,615 -0.112,616 0.019,617 -0.047,618 0.01,619 -0.002,620 -0.001,621 -0.048,622 0.16,623 -0.013,624 0.078,625 -0.033,626 0.046,627 -0.002,628 -0.024,629 0.066,630 0.016,631 0.05,632 0.048,633 -0.025,634 0.045,635 0.07,636 0.098,637 -0.027,638 0.104,639 -0.017,640 -0.001,641 -0.099,642 -0.009,643 -0.113,644 -0.062,645 -0.034,646 -0.037,647 -0.117,648 -0.087,649 -0.085,650 -0.111,651 0.017,652 -0.146,653 -0.068,654 -0.153,655 -0.001,656 -0.132,657 1.748,658 6.014,659 0.816,660 46.263,661 1.007,662 1.126,663 1.644,664 2.702,665 0.65,666 3.784,667 4.111,668 4.369,669 4.654,670 4.934,671 5.043,672 5.257,673 5.425,674 5.576,675 5.694,676 7.997,677 0.623,678 519.65,679 3.784,680 5.333,681 6.192,682 7.074,683 7.95,684 8.838,685 9.722,686 10.615,687 11.505,688 12.402,689 4.2,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 71,733 15,734 2,735 43,737 76,738 29,739 12,740 6,741 6,742 3,746 6,747 7,755 2,756 1,758 2,761 16,762 13,763 1,766 3,771 2,773 1,775 3,781 33,782 9,783 1,784 9,790 3,794 0.833,795 6,809 1,812 5,816 1,826 1,831 1,836 2,839 2,840 5,848 38,854 12,855 1,856 4,858 1,859 2,870 8.5,873 2,874 2,875 2,877 18,878 12.567,879 8.25,880 4.488,881 2.903,882 1.336,883 0.992,884 7.767,885 11.536,886 3.97,887 4.489,888 4.997,889 5.552,890 6.11,891 6.443,892 6.907,893 7.325,894 7.711,895 8.042,896 1,897 61,898 14.211,900 6.215,901 7.68,902 27.526,904 23.393,905 2.18,906 82.833,910 376.675,911 142.346,912 24.259,914 94.289,917 142.346,918 470.965,919 24.259,921 56.57,922 66.334,923 82.128,924 55.863,926 376.675,928 376.675,929 166.606,930 94.289,933 364.904,934 84.061,935 22,937 62.819,938 94.311,939 9.476,941 376.675,942 118.549,943 142.346,946 376.675,947 76.013,948 72.582,949 18.011,950 94.289,951 376.675,952 118.549,953 142.346,955 0.579,956 0.326,957 0.181,958 0.102,959 30,960 12,961 0.105,962 8,963 1,964 1.065,965 4.891,966 386.74,967 0.065,968 31,969 189.421,974 25.533,975 11.559,976 6.3,978 118.549,979 11.347,984 3.991,986 18.011,987 637.57,988 52,993 25.84,995 1.564,997 0.393,999 71.523,1000 79.979,1001 0.25,1002 0.579,1003 0.763,1004 0.843,1005 0.876,1006 0.876,1007 5.236,1008 1.833,1009 6.163,1010 5.781,1011 4.796,1012 5.176,1013 2.78,1014 6.969,1015 4.705,1016 6.408,1017 1.807,1018 7.714,1019 5.36,1020 4.369,1021 4.956,1022 1.738,1023 7.874,1024 4.287,1025 7.702,1026 1.552,1027 9.366,1028 4.675,1029 6.392,1030 7.249,1031 3.325,1032 10.966,1033 6.234,1034 9.027,1035 1.432,1036 11.078,1037 4.065,1038 6.77,1039 7.855,1040 3.158,1041 12.7,1042 6.623,1043 10.388,1044 1.373,1045 12.83,1046 3.421,1047 8.263,1048 9.658,1049 4.31,1050 15.32,1051 8.053,1052 11.771,1053 1.196,1054 14.61,1055 3.081,1056 9.021,1057 10.664,1058 4.581,1059 17.41,1060 8.815,1061 13.174,1062 1,1063 16.409,1064 2.977,1065 10.293,1066 12.262,1067 5.508,1068 19.871,1069 10.039,1070 3.229,1071 1,1072 18.224,1073 2.486,1074 11.24,1075 13.472,1076 5.978,1077 22.124,1078 10.98,1079 2.944,1080 11.26,1081 20.051,1082 2.136,1083 12.419,1084 14.979,1085 6.789,1086 24.535,1087 12.125,1088 2.753,1089 9.446,1090 21.888,1091 4.259,1092 13.461,1093 16.294,1094 7.355,1095 26.866,1096 13.154,1097 2.65,1098 8.975,1099 23.733,1100 3.878,1101 14.607,1102 17.759,1103 8.104,1104 29.266,1105 14.273,1106 2.598,1107 8.233,1108 25.586,1109 3.362,1110 15.697,1111 19.129,1112 8.718,1113 31.636,1114 15.348,1115 2.469,1116 7.413,1117 27.445,1118 3.043,1119 16.834,1120 20.576,1121 9.433,1122 34.037,1123 16.463,1124 2.084,1125 7.326,1126 29.31,1127 2.853,1128 17.951,1129 21.976,1130 10.073,1131 36.428,1132 17.563,1133 21982,1134 34539,1135 29.819,1136 46.165,1137 64.683,1138 67.276,1139 64.901,1140 63.895,1141 63.991,1142 76.397,1143 14.595,1144 182.704,1145 60.896,1146 5.574,1147 5.642,1148 6.612,1149 5.312,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 11.671,1156 1.504,1157 1.565,1158 1.509,1159 1.486,1160 1.488,1161 1.777,1162 0.339,1163 4.249,1164 1.416,1165 4.07,1166 4.086,1167 4.031,1168 3.993,1169 7.43,1170 3.999,1171 3.914,1172 3.952,1173 3.841,1174 3.802,1175 7.426,1176 3.799,1177 3.847,1178 3.892,1179 3.742,1180 3.736,1181 4.924,1182 3.737,1183 3.807,1184 3.859,1185 3.702,1186 3.595,1187 4.773,1188 3.613,1189 3.733,1190 3.776,1191 3.631,1192 3.55,1193 4.627,1194 3.564,1195 3.465,1196 3.493,1197 3.387,1198 3.285,1199 4.61,1200 3.301,1201 3.398,1202 3.425,1203 3.31,1204 3.194,1205 4.414,1206 3.219,1207 3.111,1208 3.206,1209 2.996,1210 2.941,1211 4.35,1212 2.912,1213 0.106,1214 0.085,1215 0.158,1216 0.098,1217 0.075,1218 4.574,1219 0.099,1220 3.642,1221 0.046,1222 6.81,1223 0.262,1224 4.205,1225 0.073,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.074,1234 2.095,1235 1.237,1236 2.086,1237 1.82,1238 1.799,1239 1.952,1240 2.002,1241 1.227,1242 1.988,1243 1.728,1244 1.67,1245 1.93,1246 1.96,1247 1.187,1248 1.954,1249 1.69,1250 1.638,1251 1.866,1252 1.88,1253 1.042,1254 1.875,1255 1.407,1256 1.37,1257 1.658,1258 1.631,1259 0.965,1260 1.63,1261 1.384,1262 1.342,1263 1.56,1264 1.6,1265 0.825,1266 1.593,1267 1.329,1268 1.29,1269 1.518,1270 1.526,1271 0.825,1272 1.526,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.466,1280 1.946,1281 5.79,1282 3.714,1283 7.315,1284 5.416,1285 8.932,1286 7.086,1287 10.597,1295 8.587,1296 3.041,1297 23.387,1299 0.558,1300 4.125,1305 44.255,1306 109.021,1307 253.01,1308 333.148,1309 367.877,1310 382.632,1311 382.632,1312 70.745,1313 8.633,1314 93.48,1315 93.48,1316 33,1317 12.928,1318 4,1319 3.322,1320 52.844,1321 180,1322 200,1323 0.139,1324 262.602,1325 476.28,1326 632.508,1327 76070,1329 25.899,1330 0.682,1331 0.564,1332 25.899,1333 21.448,1334 18.636,1335 0.433,1336 0.312,1337 13.162,1338 17.706,1339 12.974,1340 10.556,1341 18.636,1342 13.406,1343 16.724,1344 0.279,1345 0.169,1346 16.724,1347 10.133,1348 13.777,1349 0.177,1350 0.09,1351 13.777,1352 6.985,1353 11.824,1354 0.114,1355 0.046,1356 11.824,1357 4.771,1358 9.977,1359 0.072,1360 0.024,1361 9.977,1362 3.324,1363 0.218,1364 118.292,1365 0.183,1366 34.384,1367 0.382,1368 206,1369 626.036,1370 230.486,1371 577.045,1372 785.65,1373 546,1374 244,1375 565.456,1376 269.793,1377 562.223,1378 834.89,1379 531,1380 7.155}
{0 CHEMBL1669155,1 1.547,2 13.725,3 2.404,4 5.78,5 149.045,6 7.329,7 0.267,8 4.435,9 4.537,10 3.994,11 3.905,12 5.464,13 3.908,14 5.026,15 5.19,16 4.338,17 4.303,18 6.026,19 4.289,20 5.266,21 5.449,22 4.422,23 4.478,24 6.274,25 4.426,26 5.373,27 5.602,28 4.385,29 4.47,30 6.351,31 4.399,32 5.243,33 5.44,34 4.418,35 4.445,36 6.333,37 4.401,38 5.236,39 5.408,40 4.446,41 4.484,42 6.36,43 4.438,44 5.291,45 5.478,46 4.436,47 4.539,48 6.327,49 4.473,50 5.37,51 5.575,52 4.427,53 4.563,54 6.344,55 4.478,56 0.084,57 1.061,58 16.174,59 7.214,60 8.452,61 9.12,62 0.658,63 1.719,64 33.529,65 11.521,66 44.073,67 15.046,68 0.84,69 2.113,70 43.219,71 15.303,72 58.105,73 20.296,74 1.113,75 2.15,76 51.655,77 17.134,78 85.492,79 23.477,80 0.881,81 2.017,82 43.319,83 15.022,84 82.845,85 20.108,86 0.904,87 2.081,88 41.622,89 14.927,90 87.226,91 19.745,92 0.778,93 2.211,94 43.838,95 16.177,96 76.268,97 21.75,98 0.729,99 2.288,100 48.397,101 18.223,102 67.609,103 24.656,104 10,105 64,106 0.239,107 0.54,108 0.708,109 0.811,110 0.841,111 0.841,112 3.718,113 0.921,114 -2.34,115 -2.37,116 -2.33,119 40,120 1,123 1,125 12,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 9,174 1,175 9,178 1,180 1,183 10,186 3,187 8,190 2,192 2,195 9,198 3,199 10,204 1,207 9,211 2,212 11,217 2,220 9,223 3,224 11,227 1,229 2,232 7,236 1,237 10,240 2,242 2,245 4,249 2,250 12,255 1,258 3,262 3,263 11,266 2,268 1,271 3,275 3406,276 27.361,277 27.361,278 27.361,279 27.361,280 27.361,281 25.518,282 34.992,283 16.133,284 28.203,285 22.253,286 22.253,287 22.253,288 22.253,289 22.253,290 19.233,291 44.903,292 7.684,293 23.557,294 4.682,295 2.729,296 1.641,297 0.98,298 0.783,299 0.783,300 4.431,305 1,306 1219,307 3.873,309 94.129,311 626.41,315 189.368,318 1.966,319 48.35,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 88.5,331 549,332 4.574,333 3.642,334 6.991,335 4.291,336 3.313,337 4.259,338 1.959,339 11.827,340 3.237,341 4.334,342 3.631,343 6.81,344 4.204,345 3.228,346 3.879,347 1.138,348 11.26,349 3.16,350 4.254,351 3.458,352 6.251,353 3.896,354 2.932,355 3.367,356 0.86,357 9.438,358 2.837,359 4.006,360 3.185,361 6.116,362 3.685,363 2.747,364 3.3,365 0.86,366 8.971,367 2.597,368 3.794,369 3.114,370 5.938,371 3.554,372 2.602,373 3.042,374 0.86,375 8.23,376 2.46,377 3.687,378 2.933,379 5.477,380 3.448,381 2.473,382 2.849,383 0.86,384 7.357,385 2.379,386 3.317,387 2.805,388 5.07,389 3.061,390 2.087,391 2.447,392 0.815,393 5.783,394 2.01,395 3.21,396 2.414,397 4.84,398 2.81,399 1.833,400 2.311,401 0.643,402 5.365,403 1.793,404 3.007,405 2.22,406 4.539,407 2.724,408 1.808,409 2.099,410 0.163,411 4.675,412 1.631,413 2.884,414 2.134,415 4.317,416 2.491,417 1.56,418 2.007,420 4.084,421 1.446,422 2.846,423 2.029,424 4.151,425 2.394,426 1.432,427 1.933,428 3.422,429 1.373,430 2.605,431 1.787,432 3.804,433 2.254,434 1.375,435 1.592,436 3.081,437 1.197,438 2.426,439 1.68,440 3.789,441 2.164,442 1.196,443 1.416,445 2.977,446 1.146,447 2.21,448 1.403,449 3.569,450 1.958,451 1.098,452 1.15,454 2.503,455 0.946,456 2.157,457 1.375,458 3.478,459 1.952,460 1,461 1.143,463 2.48,464 0.946,465 18.533,466 0.463,467 0.958,468 0.024,469 45.5,470 1.138,471 18,472 0.45,473 27.5,474 0.688,475 41.53,476 1.038,477 45.067,478 0.601,479 41.131,480 1.028,481 9.103,482 0.228,483 10.369,484 0.259,485 0.063,486 0.027,487 0.286,493 0.815,494 1.474,495 0.768,496 1.27,497 0.594,498 1.046,499 1.229,500 1.014,501 0.975,502 0.898,503 0.746,504 0.874,505 1.049,506 1.07,507 1.084,508 1.107,509 0.954,510 1.099,511 1.011,512 0.87,513 0.872,514 0.849,515 0.848,516 0.838,517 1.036,518 0.975,519 0.897,520 0.908,521 1.313,522 0.876,523 1.021,524 1.122,525 1.041,526 1.061,527 1.56,528 1.055,529 0.889,530 1.097,531 1.049,532 1.114,533 1.159,534 1.109,535 0.813,536 1.155,537 0.978,538 1.186,539 0.759,540 1.132,541 8,542 0.38,543 4.222,544 2.563,545 2.244,546 1.681,547 1.076,548 0.75,549 0.521,550 0.452,551 26929,552 68408,553 2.16,554 46.7,555 3,556 31,559 1,564 1.806,565 2.06,566 3.703,567 -0.367,573 116.023,574 1.547,575 3.499,576 4.588,577 5.249,578 5.445,579 5.445,580 3.204,581 4.596,582 5.29,583 3.895,584 3038.28,585 9.376,586 52158.2,591 467.161,592 1.349,593 5.266,594 0.178,595 0.007,596 0.068,597 0.04,598 0.036,599 0.025,600 0.016,601 0.011,602 0.008,603 0.008,604 0.398,605 0.33,606 0.63,607 0.413,608 224.239,609 -0.034,610 -0.24,611 0.082,612 -0.131,613 -0.018,614 -0.02,615 -0.147,616 0.11,617 -0.016,618 0.115,619 -0.026,620 0.086,621 -0.055,622 0.011,623 -0.129,624 -0.094,625 -0.042,626 -0.122,627 0.01,628 0.076,629 0.13,630 0.136,631 0.054,632 0.155,633 -0.026,634 0.052,635 0.075,636 0.105,637 -0.028,638 0.113,639 -0.018,640 -0.037,641 -0.092,642 -0.031,643 -0.11,644 -0.072,645 -0.031,646 -0.01,647 -0.119,648 -0.08,649 -0.086,650 -0.109,651 0.014,652 -0.141,653 -0.039,654 -0.144,655 0.019,656 -0.11,657 1.774,658 6.07,659 0.8,660 49.308,661 1.01,662 1.128,663 1.106,664 1.223,665 0.645,666 3.829,667 4.174,668 4.454,669 4.7,670 4.963,671 5.075,672 5.298,673 5.476,674 5.631,675 5.762,676 8.133,677 0.62,678 549.68,679 3.829,680 5.389,681 6.248,682 7.138,683 8.013,684 8.908,685 9.791,686 10.69,687 11.578,688 12.48,689 4,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 75,733 15,734 2,735 45,737 80,738 30,739 12,740 6,741 6,742 3,746 6,747 7,752 1,753 1,754 1,761 16,762 14,766 3,771 2,773 1,775 3,781 35,782 10,783 1,784 10,790 3,794 0.833,795 7,800 1,810 1,812 5,816 1,826 1,831 1,836 2,839 3,840 5,844 1,848 40,854 12,855 1,856 5,859 2,860 1,870 9.3,873 2,874 3,875 2,877 19.417,878 13.65,879 8.625,880 4.529,881 2.902,882 1.332,883 0.972,884 8.21,885 11.64,886 4.007,887 4.533,888 5.043,889 5.571,890 6.121,891 6.456,892 6.923,893 7.347,894 7.735,895 8.072,896 1,897 64,898 14.952,900 6.524,901 7.706,902 28.796,904 24.301,905 2.206,906 88.25,910 400.217,911 155.287,912 24.259,914 105.289,917 155.287,918 505.507,919 24.259,920 8.825,921 60.686,922 66.334,923 93.128,924 55.863,926 400.217,928 400.217,929 179.547,930 105.289,933 400.217,934 72.29,935 33,937 75.76,938 94.311,939 9.476,941 400.217,942 129.549,943 155.287,946 400.217,947 80.128,948 81.408,949 18.011,950 105.289,951 400.217,952 129.549,953 155.287,955 0.584,956 0.339,957 0.179,958 0.099,959 32,960 13,961 0.1,962 8,963 1,964 1.063,965 4.971,966 416.197,967 0.063,968 32,969 202.877,974 27.394,975 11.988,976 6.279,978 129.549,979 11.248,984 3.791,986 18.011,987 685.053,988 54,993 25.994,995 1.556,997 0.338,999 75.734,1000 84.604,1001 0.248,1002 0.562,1003 0.737,1004 0.843,1005 0.874,1006 0.874,1007 5.288,1008 1.833,1009 6.248,1010 5.783,1011 4.86,1012 5.22,1013 2.868,1014 7.088,1015 4.762,1016 6.468,1017 1.808,1018 7.824,1019 5.365,1020 4.511,1021 5.037,1022 1.738,1023 8.191,1024 4.44,1025 7.781,1026 1.56,1027 9.508,1028 4.675,1029 6.524,1030 7.307,1031 3.364,1032 11.241,1033 6.361,1034 9.126,1035 1.432,1036 11.259,1037 4.084,1038 7.013,1039 7.944,1040 3.158,1041 13.174,1042 6.876,1043 10.506,1044 1.375,1045 13.053,1046 3.422,1047 8.494,1048 9.72,1049 4.321,1050 15.781,1051 8.288,1052 11.908,1053 1.196,1054 14.877,1055 3.081,1056 9.357,1057 10.739,1058 4.581,1059 18.022,1060 9.162,1061 13.327,1062 1.098,1063 16.723,1064 2.977,1065 10.635,1066 12.318,1067 5.511,1068 20.503,1069 10.393,1070 3.313,1071 1,1072 18.583,1073 2.503,1074 11.667,1075 13.528,1076 5.978,1077 22.863,1078 11.423,1079 3.228,1080 11.827,1081 20.455,1082 2.48,1083 12.869,1084 15.022,1085 6.79,1086 25.311,1087 12.592,1088 2.932,1089 11.26,1090 22.336,1091 4.259,1092 13.976,1093 16.333,1094 7.355,1095 27.721,1096 13.688,1097 2.747,1098 9.438,1099 24.224,1100 3.879,1101 15.153,1102 17.79,1103 8.104,1104 30.164,1105 14.84,1106 2.602,1107 8.971,1108 26.119,1109 3.367,1110 16.296,1111 19.155,1112 8.718,1113 32.595,1114 15.967,1115 2.473,1116 8.23,1117 28.018,1118 3.3,1119 17.467,1120 20.597,1121 9.433,1122 35.04,1123 17.117,1124 2.087,1125 7.357,1126 29.922,1127 3.042,1128 18.627,1129 21.993,1130 10.073,1131 37.482,1132 18.259,1133 24752,1134 39611,1135 30.8,1136 48.381,1137 67.578,1138 70.566,1139 68.345,1140 66.73,1141 66.892,1142 79.302,1143 16.315,1144 195.109,1145 63.354,1146 5.574,1147 5.642,1148 6.793,1149 5.397,1150 5.313,1151 7.259,1152 3.43,1153 19.224,1154 5.237,1155 14.876,1156 1.502,1157 1.568,1158 1.519,1159 1.483,1160 1.486,1161 1.762,1162 0.363,1163 4.336,1164 1.408,1165 4.069,1166 4.085,1167 4.032,1168 3.993,1169 7.43,1170 3.999,1171 3.899,1172 3.925,1173 3.84,1174 3.766,1175 7.426,1176 3.778,1177 3.835,1178 3.875,1179 3.741,1180 3.694,1181 4.928,1182 3.699,1183 3.807,1184 3.859,1185 3.702,1186 3.594,1187 4.787,1188 3.612,1189 3.732,1190 3.775,1191 3.632,1192 3.55,1193 4.672,1194 3.563,1195 3.465,1196 3.493,1197 3.387,1198 3.285,1199 4.624,1200 3.301,1201 3.398,1202 3.425,1203 3.311,1204 3.194,1205 4.604,1206 3.219,1207 3.111,1208 3.206,1209 3.004,1210 2.941,1211 4.387,1212 2.91,1213 0.102,1214 0.081,1215 0.155,1216 0.095,1217 0.074,1218 4.574,1219 0.095,1220 3.642,1221 0.044,1222 6.991,1223 0.263,1224 4.291,1225 0.072,1226 3.313,1227 4.259,1228 1.959,1229 11.827,1230 3.237,1231 2.007,1232 1.995,1233 2.077,1234 2.098,1235 1.35,1236 2.089,1237 1.844,1238 1.82,1239 2.013,1240 2.022,1241 1.236,1242 2.015,1243 1.791,1244 1.758,1245 1.95,1246 1.991,1247 1.226,1248 1.982,1249 1.728,1250 1.67,1251 1.927,1252 1.952,1253 1.185,1254 1.948,1255 1.687,1256 1.636,1257 1.859,1258 1.869,1259 0.982,1260 1.865,1261 1.389,1262 1.362,1263 1.56,1264 1.618,1265 0.825,1266 1.597,1267 1.331,1268 1.293,1269 1.519,1270 1.536,1271 0.825,1272 1.53,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.511,1281 5.872,1283 7.427,1285 9.065,1287 10.744,1289 2.115,1295 7.222,1296 3.038,1297 28.923,1300 4.106,1301 -0.079,1305 46.497,1306 116.023,1307 262.457,1308 344.084,1309 393.652,1310 408.407,1311 408.407,1312 79.703,1313 8.739,1314 102.71,1315 102.71,1316 34,1317 13.004,1318 4,1319 3.322,1320 56.926,1321 193,1322 212,1323 0.139,1324 276.19,1325 502.37,1326 665.664,1327 85655,1329 27.529,1330 0.688,1331 0.569,1332 27.529,1333 22.779,1334 19.472,1335 0.433,1336 0.307,1337 13.535,1338 18.42,1339 13.26,1340 10.821,1341 19.472,1342 13.82,1343 17.906,1344 0.28,1345 0.171,1346 17.906,1347 10.97,1348 15.102,1349 0.178,1350 0.089,1351 15.102,1352 7.579,1353 12.473,1354 0.114,1355 0.047,1356 12.473,1357 5.08,1358 10.249,1359 0.072,1360 0.024,1361 10.249,1362 3.393,1363 0.218,1364 124.307,1365 0.18,1366 35.738,1367 0.385,1368 218,1369 681.772,1370 245.365,1371 624.259,1372 843.79,1373 590,1374 258,1375 599.092,1376 288.112,1377 598.939,1378 888.14,1379 561,1380 6.523}
{0 CHEMBL1669156,1 1.573,2 13.686,3 2.354,4 5.539,5 130.864,6 7.493,7 0.308,8 4.277,9 4.379,10 3.852,11 3.748,12 5.347,13 3.756,14 4.858,15 5.02,16 4.201,17 4.137,18 5.901,19 4.133,20 5.085,21 5.268,22 4.296,23 4.317,24 6.129,25 4.279,26 5.13,27 5.326,28 4.277,29 4.337,30 6.181,31 4.277,32 5.165,33 5.374,34 4.278,35 4.307,36 6.271,37 4.259,38 5.072,39 5.255,40 4.231,41 4.263,42 6.231,43 4.217,44 5.018,45 5.198,46 4.169,47 4.257,48 6.11,49 4.195,50 5.075,51 5.282,52 4.094,53 4.249,54 6.059,55 4.159,56 0.088,57 0.911,58 13.243,59 5.967,60 8.112,61 7.457,62 0.592,63 1.47,64 27.72,65 9.429,66 36.575,67 12.16,68 0.835,69 1.782,70 35.835,71 12.413,72 54.699,73 16.214,74 0.651,75 1.816,76 37.536,77 14.01,78 57.809,79 18.667,80 0.925,81 1.817,82 40.725,83 13.55,84 86.402,85 18.119,86 0.921,87 1.702,88 35.879,89 12.321,90 87.597,91 16.11,92 0.637,93 1.659,94 32.877,95 12.334,96 67.689,97 16.151,98 0.658,99 1.7,100 35.97,101 13.26,102 55.244,103 17.886,104 11,105 54,106 0.251,107 0.573,108 0.735,109 0.804,110 0.841,111 0.841,112 3.589,113 0.908,114 -2.28,115 -2.32,116 -2.28,119 40.6,124 1,125 9,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 8,174 1,175 7,178 1,180 1,183 10,186 3,187 6,190 2,192 2,195 9,198 2,199 10,204 1,207 8,211 2,212 11,217 1,220 6,223 3,224 10,227 1,229 1,232 3,236 1,237 7,240 1,242 2,245 1,249 2,250 7,255 1,262 2,263 8,266 2,268 1,275 2319,276 24.162,277 24.162,278 24.162,279 24.162,280 24.162,281 22.32,282 29.6,283 14.416,284 24.968,285 19.246,286 19.246,287 19.246,288 19.246,289 19.246,290 16.203,291 36.764,292 6.806,293 20.399,294 4.427,295 2.409,296 1.391,297 0.961,298 0.731,299 0.731,300 4.298,305 1,306 1055,307 3.317,311 536.931,315 161.861,318 2.17,319 41.258,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 77.5,331 479,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.258,338 1.959,339 11.26,340 3.16,341 4.279,342 3.63,343 6.249,344 3.898,345 2.935,346 3.876,347 1.138,348 9.416,349 2.838,350 4.007,351 3.186,352 6.115,353 3.685,354 2.748,355 3.361,356 0.86,357 8.959,358 2.597,359 3.794,360 3.122,361 5.937,362 3.554,363 2.602,364 3.042,365 0.86,366 8.225,367 2.46,368 3.687,369 2.935,370 5.476,371 3.448,372 2.473,373 2.85,374 0.86,375 7.352,376 2.379,377 3.317,378 2.805,379 5.07,380 3.06,381 2.085,382 2.447,383 0.815,384 5.774,385 2.009,386 3.209,387 2.412,388 4.832,389 2.809,390 1.833,391 2.311,392 0.643,393 5.334,394 1.793,395 3.006,396 2.215,397 4.539,398 2.724,399 1.806,400 2.099,401 0.163,402 4.675,403 1.631,404 2.877,405 2.132,406 4.277,407 2.471,408 1.536,409 2.001,411 3.939,412 1.432,413 2.846,414 1.942,415 4.139,416 2.394,417 1.432,418 1.933,420 3.412,421 1.373,422 2.605,423 1.787,424 3.804,425 2.253,426 1.37,427 1.592,428 3.079,429 1.196,430 2.426,431 1.403,432 3.569,433 2.164,434 1.196,435 1.416,436 2.976,437 1.146,438 2.21,439 1.376,440 3.478,441 1.952,442 1,443 1.149,445 2.485,446 0.946,447 2,448 1.256,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 1.256,458 3.247,459 1.916,460 1,461 1,463 2.136,464 0.903,465 16.2,466 0.463,467 0.725,468 0.021,469 42,470 1.2,471 18,472 0.514,473 24,474 0.686,475 31.857,476 0.91,477 39,478 0.609,479 36.649,480 1.047,481 8.719,482 0.249,483 8.399,484 0.24,485 0.072,487 0.327,493 0.812,494 1.48,495 0.751,496 1.25,497 0.574,498 1.026,499 1.222,500 1.012,501 0.959,502 0.877,503 0.719,504 0.85,505 1.094,506 0.89,507 1.024,508 0.912,509 0.987,510 0.94,511 0.857,512 1.113,513 0.912,514 1.11,515 0.824,516 1.041,517 1.084,518 0.938,519 0.924,520 0.892,521 1.29,522 0.875,523 1.105,524 1.009,525 1.055,526 0.987,527 1.631,528 1.007,529 0.961,530 1.137,531 1.069,532 1.15,533 1.302,534 1.136,535 0.846,536 1.127,537 1.043,538 1.173,539 0.656,540 1.159,541 6,542 0.206,543 3.556,544 2.125,545 2.013,546 1.479,547 0.912,548 0.483,549 0.402,550 0.276,551 19007,552 50650,553 2.141,554 45.3,556 28,559 1,564 1.768,565 2.039,566 3.712,567 -0.345,573 100.642,574 1.573,575 3.591,576 4.609,577 5.039,578 5.269,579 5.269,580 3.269,581 4.844,582 5.097,583 3.884,584 2310.7,585 8.956,586 35931.7,591 384,592 1.271,593 5.076,594 0.154,595 0.007,596 0.066,597 0.037,598 0.036,599 0.026,600 0.017,601 0.01,602 0.009,603 0.007,604 0.369,605 0.33,606 0.75,607 0.597,608 189.433,609 -0.041,610 -0.263,611 0.076,612 -0.141,613 -0.016,614 -0.029,615 -0.145,616 0.109,617 -0.012,618 0.116,619 -0.024,620 0.091,621 -0.07,622 0.184,623 -0.068,624 0.081,625 -0.056,626 0.02,627 0.023,628 -0.106,629 0.031,630 -0.08,631 0.056,632 -0.033,633 -0.032,634 0.045,635 0.068,636 0.093,637 -0.038,638 0.104,639 -0.02,640 0.021,641 -0.084,642 0.01,643 -0.115,644 -0.042,645 -0.045,646 -0.09,647 -0.138,648 -0.118,649 -0.109,650 -0.144,651 0.003,652 -0.129,653 -0.098,654 -0.152,655 0.009,656 -0.149,657 1.774,658 5.886,659 0.8,660 41.265,661 1.012,662 1.127,663 1.049,664 1.1,665 0.651,666 3.689,667 4.007,668 4.304,669 4.595,670 4.868,671 4.949,672 5.147,673 5.298,674 5.434,675 5.533,676 7.84,677 0.628,678 479.58,679 3.689,680 5.231,681 6.089,682 6.971,683 7.847,684 8.736,685 9.621,686 10.515,687 11.405,688 12.303,689 4.7,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 64,733 15,734 2,735 39,737 68,738 26,739 12,740 6,741 6,742 3,746 5,747 6,761 16,762 10,766 3,771 2,773 1,775 3,781 29,782 9,783 1,784 9,790 3,794 0.8,795 6,812 5,816 1,826 1,831 1,836 2,839 2,840 4,844 1,848 35,854 9,855 1,856 4,859 2,870 9.4,873 2,874 2,875 2,877 17.167,878 11.733,879 7.75,880 3.821,881 2.903,882 1.344,883 0.981,884 7.462,885 11.335,886 3.892,887 4.419,888 4.963,889 5.524,890 6.078,891 6.397,892 6.851,893 7.258,894 7.635,895 7.956,896 1,897 58,898 13.036,900 5.607,901 7.757,902 24.917,904 20.547,905 2.257,906 79,910 329.591,911 143.568,912 24.259,914 94.289,917 143.568,918 423.88,919 24.259,920 10.883,921 46.909,922 66.334,923 82.128,924 55.863,926 329.591,928 329.591,929 167.827,930 94.289,933 329.591,934 72.29,935 22,937 53.157,938 105.194,939 9.476,941 329.591,942 118.549,943 143.568,946 329.591,947 66.351,948 83.465,949 18.011,950 94.289,951 329.591,952 118.549,953 143.568,955 0.574,956 0.342,957 0.194,958 0.109,959 26,960 11,961 0.088,962 6,963 1,964 1.071,965 4.566,966 340.049,967 0.071,968 28,969 171.525,974 23.976,975 10.893,976 5.421,978 118.549,979 11.08,984 3.751,986 18.011,987 591.708,988 48,993 25.477,995 1.547,997 0.343,999 64.756,1000 72.149,1001 0.262,1002 0.599,1003 0.768,1004 0.84,1005 0.878,1006 0.878,1007 5.147,1008 1.806,1009 6.061,1010 5.334,1011 4.691,1012 5.106,1013 2.78,1014 6.874,1015 4.594,1016 6.318,1017 1.536,1018 7.615,1019 4.675,1020 4.205,1021 4.868,1022 1.738,1023 7.766,1024 4.107,1025 7.614,1026 1.432,1027 9.271,1028 3.939,1029 6.279,1030 7.202,1031 3.325,1032 10.895,1033 6.109,1034 8.943,1035 1.37,1036 10.99,1037 3.412,1038 6.635,1039 7.812,1040 3.158,1041 12.637,1042 6.468,1043 10.309,1044 1.196,1045 12.748,1046 3.079,1047 8.152,1048 9.631,1049 4.31,1050 15.273,1051 7.928,1052 11.699,1053 1,1054 14.535,1055 2.976,1056 8.91,1057 10.643,1058 4.581,1059 17.373,1060 8.684,1061 13.11,1062 1,1063 16.342,1064 2.485,1065 10.194,1066 12.248,1067 5.508,1068 19.842,1069 9.926,1070 3.229,1071 1,1072 18.164,1073 2.136,1074 11.149,1075 13.462,1076 5.978,1077 22.102,1078 10.873,1079 2.935,1080 11.26,1081 19.998,1082 2.136,1083 12.337,1084 14.972,1085 6.789,1086 24.518,1087 12.03,1088 2.748,1089 9.416,1090 21.841,1091 4.258,1092 13.388,1093 16.288,1094 7.355,1095 26.853,1096 13.068,1097 2.602,1098 8.959,1099 23.692,1100 3.876,1101 14.541,1102 17.755,1103 8.104,1104 29.255,1105 14.197,1106 2.473,1107 8.225,1108 25.551,1109 3.361,1110 15.639,1111 19.126,1112 8.718,1113 31.628,1114 15.281,1115 2.085,1116 7.352,1117 27.414,1118 3.042,1119 16.782,1120 20.573,1121 9.433,1122 34.03,1123 16.404,1124 1.833,1125 5.774,1126 29.283,1127 2.85,1128 17.905,1129 21.973,1130 10.073,1131 36.422,1132 17.511,1133 17699,1134 29037,1135 26.641,1136 41.642,1137 58.261,1138 60.679,1139 59.218,1140 57.725,1141 57.829,1142 70.233,1143 14.595,1144 164.899,1145 54.819,1146 5.574,1147 5.642,1148 6.612,1149 5.311,1150 5.229,1151 7.258,1152 3.43,1153 18.657,1154 5.16,1155 13.617,1156 1.494,1157 1.556,1158 1.518,1159 1.48,1160 1.483,1161 1.801,1162 0.374,1163 4.228,1164 1.406,1165 4.063,1166 4.077,1167 4.027,1168 3.989,1169 7.43,1170 3.995,1171 3.874,1172 3.906,1173 3.825,1174 3.753,1175 7.426,1176 3.765,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 4.928,1182 3.614,1183 3.738,1184 3.782,1185 3.636,1186 3.551,1187 4.785,1188 3.565,1189 3.465,1190 3.494,1191 3.387,1192 3.286,1193 4.627,1194 3.301,1195 3.403,1196 3.43,1197 3.314,1198 3.194,1199 4.611,1200 3.219,1201 3.245,1202 3.309,1203 3.075,1204 2.979,1205 4.409,1206 2.991,1207 3.111,1208 3.206,1209 2.937,1210 2.941,1211 4.328,1212 2.91,1213 0.117,1214 0.093,1215 0.175,1216 0.108,1217 0.083,1218 4.574,1219 0.109,1220 3.642,1221 0.05,1222 6.81,1223 0.289,1224 4.205,1225 0.081,1226 3.229,1227 4.258,1228 1.959,1229 11.26,1230 3.16,1231 2.005,1232 1.994,1233 2.074,1234 2.095,1235 1.237,1236 2.086,1237 1.819,1238 1.798,1239 1.952,1240 2.002,1241 1.226,1242 1.987,1243 1.728,1244 1.67,1245 1.929,1246 1.96,1247 1.186,1248 1.953,1249 1.689,1250 1.638,1251 1.866,1252 1.879,1253 0.984,1254 1.874,1255 1.389,1256 1.363,1257 1.574,1258 1.621,1259 0.825,1260 1.599,1261 1.332,1262 1.294,1263 1.559,1264 1.552,1265 0.825,1266 1.549,1267 1.195,1268 1.125,1269 1.516,1270 1.49,1271 0.738,1272 1.507,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.594,1278 1.429,1279 4.369,1281 5.687,1283 7.213,1285 8.834,1287 10.505,1289 1.566,1295 5.585,1296 2.947,1297 22.622,1300 4.082,1305 40.201,1306 100.642,1307 229.845,1308 294.98,1309 322.49,1310 337.245,1311 337.245,1312 66.202,1313 8.432,1314 93.48,1315 93.48,1316 30,1317 12.828,1318 4,1319 3.322,1320 52.22,1321 163,1322 182,1323 0.154,1324 241.218,1325 436.74,1326 580.332,1327 61293,1329 24.2,1330 0.691,1331 0.564,1332 24.2,1333 19.749,1334 17.119,1335 0.439,1336 0.303,1337 11.548,1338 16.161,1339 11.343,1340 9.263,1341 17.119,1342 11.801,1343 15.111,1344 0.28,1345 0.159,1346 15.111,1347 8.582,1348 12.948,1349 0.177,1350 0.087,1351 12.948,1352 6.322,1353 11.232,1354 0.115,1355 0.045,1356 11.232,1357 4.446,1358 9.429,1359 0.073,1360 0.024,1361 9.429,1362 3.081,1363 0.243,1364 109.393,1365 0.194,1366 32.297,1367 0.417,1368 186,1369 606.036,1370 209.822,1371 556.833,1372 753.03,1373 526,1374 220,1375 536.547,1376 244.797,1377 535.275,1378 790.93,1379 503,1380 6.456}
{0 CHEMBL1669157,1 1.591,2 13.735,3 2.103,4 4.421,5 126.094,6 7.632,7 0.316,8 4.236,9 4.336,10 3.821,11 3.714,12 5.334,13 3.725,14 4.807,15 4.962,16 4.182,17 4.112,18 5.885,19 4.108,20 5.067,21 5.251,22 4.267,23 4.284,24 6.149,25 4.247,26 5.094,27 5.295,28 4.228,29 4.282,30 6.181,31 4.223,32 5.095,33 5.301,34 4.225,35 4.226,36 6.278,37 4.186,38 4.979,39 5.153,40 4.158,41 4.164,42 6.222,43 4.129,44 4.911,45 5.093,46 4.08,47 4.152,48 6.045,49 4.095,50 4.934,51 5.128,52 3.991,53 4.125,54 6.062,55 4.039,56 0.12,57 0.874,58 12.327,59 5.644,60 12.636,61 6.909,62 0.541,63 1.425,64 25.288,65 9.019,66 35.135,67 11.484,68 0.869,69 1.741,70 34.952,71 12.087,72 64.626,73 15.642,74 0.703,75 1.733,76 36.345,77 13.4,78 68.078,79 17.766,80 0.93,81 1.674,82 37.959,83 12.675,84 106.25,85 16.688,86 0.942,87 1.547,88 32.315,89 10.938,90 103.591,91 13.934,92 0.622,93 1.494,94 29.259,95 10.979,96 64.462,97 14.295,98 0.554,99 1.489,100 30.174,101 11.723,102 74.208,103 15.542,104 10,105 53,106 0.256,107 0.593,108 0.733,109 0.805,110 0.844,111 0.844,112 3.561,113 0.901,114 -2.07,115 -2.12,116 -2.11,119 41,125 9,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 8,174 1,175 6,178 1,180 2,183 10,186 3,187 4,190 1,191 1,192 4,195 9,198 2,199 8,204 3,207 8,211 1,212 10,215 1,217 2,220 6,223 1,224 8,227 3,229 3,232 3,236 1,237 6,240 1,242 3,245 1,250 6,253 2,255 2,262 1,263 8,266 3,268 1,275 2144,276 23.292,277 23.292,278 23.292,279 23.292,280 23.292,281 21.397,282 27.444,283 13.893,284 23.96,285 18.808,286 18.808,287 18.808,288 18.808,289 18.808,290 15.776,291 33.478,292 6.651,293 19.854,294 4.34,295 2.245,296 1.381,297 0.93,298 0.689,299 0.689,300 4.27,304 1,305 1,306 1032,307 3.162,311 519.673,315 156.682,318 2.178,319 45.056,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 75.5,331 467,332 4.573,333 3.642,334 6.809,335 4.204,336 3.227,337 4.257,338 1.959,339 11.256,340 3.159,341 4.26,342 3.629,343 6.209,344 3.88,345 2.912,346 3.86,347 1.138,348 9.257,349 2.827,350 4.002,351 3.183,352 6.077,353 3.681,354 2.742,355 3.356,356 0.86,357 8.8,358 2.593,359 3.794,360 3.082,361 5.917,362 3.553,363 2.6,364 3.041,365 0.86,366 8.171,367 2.46,368 3.679,369 2.887,370 5.47,371 3.437,372 2.464,373 2.844,374 0.815,375 7.32,376 2.37,377 3.316,378 2.796,379 5.07,380 3.05,381 2.068,382 2.445,383 0.643,384 5.751,385 2.004,386 3.198,387 2.406,388 4.79,389 2.8,390 1.831,391 2.299,392 0.163,393 5.237,394 1.786,395 3.006,396 2.203,397 4.539,398 2.723,399 1.795,400 2.097,402 4.675,403 1.63,404 2.848,405 2.13,406 4.2,407 2.394,408 1.456,409 1.945,411 3.664,412 1.373,413 2.817,414 1.787,415 4.061,416 2.387,417 1.431,418 1.927,420 3.378,421 1.36,422 2.605,423 1.701,424 3.804,425 2.249,426 1.347,427 1.592,428 3.075,429 1.195,430 2.426,431 1.403,432 3.569,433 2.164,434 1.196,435 1.416,436 2.975,437 1.146,438 2.21,439 1.369,440 3.478,441 1.952,442 1,443 1.149,445 2.485,446 0.946,447 2,448 1.256,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 1.256,458 3.247,459 1.916,460 1,461 1,463 2.136,464 0.903,465 15.7,466 0.462,467 0.763,468 0.022,469 41.25,470 1.213,471 18,472 0.529,473 23.25,474 0.684,475 29.88,476 0.879,477 37.7,478 0.618,479 35.636,480 1.048,481 8.475,482 0.249,483 8.105,484 0.238,485 0.064,487 0.338,493 0.838,494 1.421,495 0.752,496 1.183,497 0.654,498 0.983,499 1.096,500 1.073,501 0.941,502 0.942,503 0.647,504 0.898,505 1.075,506 0.888,507 1.031,508 0.916,509 0.941,510 0.949,511 0.859,512 1.067,513 0.907,514 1.081,515 0.851,516 1.021,517 1.087,518 0.937,519 0.897,520 0.885,521 1.215,522 0.855,523 1.188,524 1.002,525 1.105,526 0.973,527 1.724,528 1.011,529 0.914,530 1.076,531 1.032,532 1.098,533 1.154,534 1.091,535 0.777,536 1.257,537 1.06,538 1.315,539 0.879,540 1.271,541 6,542 0.194,543 3.556,544 2.125,545 1.973,546 1.361,547 0.912,548 0.467,549 0.344,550 0.251,551 18038,552 49079,553 2.145,554 44.3,556 25,559 2,564 1.759,565 2.04,566 3.71,567 0.206,569 1,573 97.032,574 1.591,575 3.685,576 4.549,577 5,578 5.242,579 5.242,580 3.268,581 4.558,582 5.054,583 3.89,584 2182.27,585 8.862,586 33455.6,591 361.775,592 1.286,593 5.033,594 0.158,595 0.007,596 0.067,597 0.038,598 0.037,599 0.026,600 0.019,601 0.01,602 0.009,603 0.008,604 0.378,605 0.33,606 0.75,607 0.459,608 182.932,609 -0.071,610 -0.214,611 0.057,612 -0.087,613 -0.048,614 -0.003,615 -0.119,616 0.063,617 -0.027,618 0.057,619 -0.008,620 0.044,621 -0.073,622 0.173,623 -0.077,624 0.069,625 -0.048,626 0.008,627 0.02,628 -0.078,629 0.044,630 -0.061,631 0.037,632 -0.012,633 -0.024,634 0.024,635 0.102,636 0.101,637 0.012,638 0.127,639 -0.054,640 0.027,641 -0.132,642 0.013,643 -0.152,644 -0.064,645 -0.031,646 -0.034,647 -0.105,648 -0.075,649 -0.073,650 -0.1,651 0.037,652 -0.259,653 -0.132,654 -0.279,655 0.037,656 -0.254,657 1.865,658 5.805,659 0.824,660 40.54,661 1.014,662 1.127,663 0.844,664 0.713,665 0.654,666 3.664,667 3.989,668 4.277,669 4.564,670 4.836,671 4.905,672 5.106,673 5.252,674 5.38,675 5.472,676 7.862,677 0.634,678 465.55,679 3.664,680 5.209,681 6.066,682 6.948,683 7.822,684 8.711,685 9.594,686 10.487,687 11.376,688 12.272,689 4.9,692 2,696 1,704 6,709 6,711 12,716 1,728 1,729 1,731 61,733 15,734 2,735 38,737 65,738 25,739 12,740 6,741 6,742 3,746 5,747 6,761 16,762 9,766 3,771 2,773 1,775 3,778 1,781 27,782 9,783 2,784 9,790 3,794 0.8,795 6,812 5,816 1,826 1,831 1,836 2,839 2,840 4,848 34,853 1,854 9,855 1,856 3,859 2,870 9.8,872 1,873 2,874 2,875 1,877 16.667,878 10.767,879 7.417,880 3.663,881 2.902,882 1.346,883 0.974,884 6.945,885 11.289,886 3.871,887 4.407,888 4.942,889 5.5,890 6.054,891 6.361,892 6.813,893 7.222,894 7.591,895 7.902,896 1,897 56,898 12.692,900 5.553,901 7.838,902 24.084,904 20.071,905 2.338,906 79.5,910 294.278,911 127.441,912 24.259,914 125.973,917 127.441,918 420.25,919 24.259,921 46.909,922 66.334,923 124.811,924 39.62,926 294.278,928 294.278,929 151.701,930 125.973,933 294.278,934 103.973,935 22,937 53.157,938 89.067,939 9.476,941 294.278,942 150.232,943 127.441,946 294.278,947 61.108,948 72.582,949 18.011,950 125.973,951 294.278,952 150.232,953 127.441,955 0.579,956 0.34,957 0.19,958 0.107,959 26,960 11,961 0.077,962 5,963 1,964 1.071,965 4.521,966 325.718,967 0.071,968 28,969 164.974,974 23.023,975 10.256,976 5.193,978 150.232,979 10.386,984 2.564,986 60.694,987 571.951,988 47,993 25.225,995 1.516,997 0.182,999 61.872,1000 68.734,1001 0.268,1002 0.621,1003 0.767,1004 0.843,1005 0.884,1006 0.884,1007 5.13,1008 1.795,1009 6.043,1010 5.237,1011 4.673,1012 5.094,1013 2.684,1014 6.853,1015 4.581,1016 6.305,1017 1.456,1018 7.596,1019 4.675,1020 4.205,1021 4.868,1022 1.738,1023 7.735,1024 4.107,1025 7.602,1026 1.431,1027 9.252,1028 3.664,1029 6.26,1030 7.192,1031 3.285,1032 10.865,1033 6.098,1034 8.932,1035 1.347,1036 10.969,1037 3.378,1038 6.621,1039 7.803,1040 3.158,1041 12.596,1042 6.46,1043 10.297,1044 1.196,1045 12.726,1046 3.075,1047 8.132,1048 9.62,1049 4.299,1050 15.236,1051 7.917,1052 11.687,1053 1,1054 14.511,1055 2.975,1056 8.891,1057 10.631,1058 4.581,1059 17.33,1060 8.674,1061 13.096,1062 1,1063 16.316,1064 2.485,1065 10.172,1066 12.236,1067 5.506,1068 19.803,1069 9.914,1070 3.227,1071 1,1072 18.137,1073 2.136,1074 11.127,1075 13.447,1076 5.978,1077 22.062,1078 10.861,1079 2.912,1080 11.256,1081 19.969,1082 2.136,1083 12.313,1084 14.957,1085 6.789,1086 24.48,1087 12.018,1088 2.742,1089 9.257,1090 21.812,1091 4.257,1092 13.363,1093 16.272,1094 7.355,1095 26.816,1096 13.056,1097 2.6,1098 8.8,1099 23.662,1100 3.86,1101 14.515,1102 17.739,1103 8.104,1104 29.222,1105 14.185,1106 2.464,1107 8.171,1108 25.519,1109 3.356,1110 15.613,1111 19.109,1112 8.718,1113 31.596,1114 15.268,1115 2.068,1116 7.32,1117 27.383,1118 3.041,1119 16.755,1120 20.556,1121 9.433,1122 34.001,1123 16.392,1124 1.831,1125 5.751,1126 29.251,1127 2.844,1128 17.878,1129 21.955,1130 10.073,1131 36.396,1132 17.499,1133 16731,1134 27739,1135 25.948,1136 39.881,1137 57.282,1138 59.479,1139 57.784,1140 56.676,1141 56.712,1142 69.132,1143 12.875,1144 162.066,1145 53.938,1146 5.573,1147 5.642,1148 6.611,1149 5.31,1150 5.227,1151 7.257,1152 3.43,1153 18.653,1154 5.159,1155 13.236,1156 1.507,1157 1.565,1158 1.521,1159 1.491,1160 1.492,1161 1.819,1162 0.339,1163 4.265,1164 1.419,1165 4.061,1166 4.075,1167 4.025,1168 3.988,1169 7.43,1170 3.994,1171 3.87,1172 3.904,1173 3.82,1174 3.75,1175 7.426,1176 3.762,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 6.469,1182 3.614,1183 3.736,1184 3.78,1185 3.635,1186 3.551,1187 4.887,1188 3.564,1189 3.465,1190 3.493,1191 3.387,1192 3.285,1193 4.636,1194 3.301,1195 3.397,1196 3.425,1197 3.31,1198 3.194,1199 4.626,1200 3.219,1201 3.111,1202 3.206,1203 2.975,1204 2.941,1205 4.559,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.367,1212 2.91,1213 0.12,1214 0.096,1215 0.179,1216 0.111,1217 0.085,1218 4.573,1219 0.112,1220 3.642,1221 0.052,1222 6.809,1223 0.296,1224 4.204,1225 0.083,1226 3.227,1227 4.257,1228 1.959,1229 11.256,1230 3.159,1231 2.005,1232 1.993,1233 2.074,1234 2.094,1235 1.235,1236 2.085,1237 1.817,1238 1.794,1239 1.951,1240 2.001,1241 1.226,1242 1.987,1243 1.728,1244 1.67,1245 1.929,1246 1.958,1247 1.184,1248 1.952,1249 1.688,1250 1.637,1251 1.862,1252 1.875,1253 0.974,1254 1.87,1255 1.389,1256 1.362,1257 1.56,1258 1.618,1259 0.825,1260 1.597,1261 1.331,1262 1.293,1263 1.519,1264 1.535,1265 0.825,1266 1.53,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.738,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.589,1278 1.429,1279 4.344,1281 5.666,1283 7.194,1285 8.814,1287 10.484,1294 10.63,1295 5.333,1296 2.771,1297 16.894,1300 4,1305 38.675,1306 97.032,1307 224.8,1308 277.51,1309 305.02,1310 319.775,1311 319.775,1312 69.333,1313 8.387,1314 104.48,1315 104.48,1316 30,1317 12.799,1318 4,1319 3.322,1320 50.104,1321 159,1322 176,1323 0.151,1324 231.626,1325 419.44,1326 556.927,1327 58786,1329 23.493,1330 0.691,1331 0.553,1332 23.493,1333 18.788,1334 16.581,1335 0.436,1336 0.3,1337 11.186,1338 15.709,1339 11.034,1340 8.975,1341 16.581,1342 11.413,1343 14.92,1344 0.282,1345 0.158,1346 14.92,1347 8.399,1348 12.63,1349 0.178,1350 0.086,1351 12.63,1352 6.118,1353 10.909,1354 0.115,1355 0.045,1356 10.909,1357 4.289,1358 9.183,1359 0.073,1360 0.024,1361 9.183,1362 2.967,1363 0.241,1364 105.627,1365 0.196,1366 31.655,1367 0.408,1368 182,1369 590.45,1370 205.047,1371 546.854,1372 736.33,1373 514,1374 215,1375 525.032,1376 238.8,1377 522.854,1378 773.27,1379 493,1380 6.367}
{0 CHEMBL1669158,1 1.555,2 13.667,3 2.702,4 7.302,5 135.612,6 7.367,7 0.3,8 4.316,9 4.421,10 3.877,11 3.789,12 5.367,13 3.791,14 4.901,15 5.067,16 4.225,17 4.174,18 5.934,19 4.163,20 5.14,21 5.332,22 4.313,23 4.343,24 6.164,25 4.302,26 5.147,27 5.342,28 4.306,29 4.368,30 6.191,31 4.308,32 5.198,33 5.402,34 4.325,35 4.361,36 6.298,37 4.311,38 5.144,39 5.331,40 4.284,41 4.341,42 6.274,43 4.288,44 5.107,45 5.295,46 4.241,47 4.347,48 6.172,49 4.278,50 5.166,51 5.369,52 4.181,53 4.344,54 6.163,55 4.253,56 0.073,57 0.949,58 14.208,59 6.302,60 7.304,61 8,62 0.553,63 1.531,64 29.319,65 9.985,66 36.015,67 13.128,68 0.895,69 1.844,70 38.981,71 13.019,72 59.095,73 17.248,74 0.612,75 1.857,76 38.335,77 14.324,78 55.53,79 19.171,80 0.872,81 1.899,82 41.856,83 14.149,84 83.809,85 19.025,86 0.926,87 1.846,88 38.843,89 13.23,90 87.642,91 17.615,92 0.614,93 1.814,94 36.434,95 13.727,96 66.278,97 18.304,98 0.666,99 1.863,100 39.514,101 14.59,102 65.26,103 19.698,104 12,105 55,106 0.246,107 0.559,108 0.728,109 0.81,110 0.844,111 0.844,112 3.616,113 0.929,114 -2.48,115 -2.51,116 -2.45,119 40.3,120 1,125 10,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 8,174 1,175 8,178 1,180 1,183 10,186 3,187 6,190 2,192 2,195 9,198 2,199 10,204 1,207 9,211 2,212 11,217 2,220 8,223 3,224 10,227 1,229 1,232 5,236 1,237 8,240 1,242 2,245 2,249 2,250 9,255 1,258 2,262 2,263 8,266 2,268 1,271 1,275 2520,276 24.869,277 24.869,278 24.869,279 24.869,280 24.869,281 23.027,282 30.679,283 15.025,284 25.714,285 19.784,286 19.784,287 19.784,288 19.784,289 19.784,290 16.764,291 37.927,292 7.11,293 21.01,294 4.511,295 2.531,296 1.466,297 0.948,298 0.728,299 0.728,300 4.325,305 1,306 1080,307 3.464,311 555.108,315 167.36,318 2.13,319 42.307,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 79.5,331 492,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.281,342 3.63,343 6.252,344 3.901,345 2.938,346 3.878,347 1.138,348 9.441,349 2.839,350 4.008,351 3.187,352 6.117,353 3.686,354 2.749,355 3.361,356 0.86,357 8.972,358 2.597,359 3.794,360 3.132,361 5.938,362 3.554,363 2.603,364 3.042,365 0.86,366 8.231,367 2.461,368 3.689,369 2.944,370 5.477,371 3.45,372 2.475,373 2.85,374 0.86,375 7.357,376 2.381,377 3.317,378 2.806,379 5.07,380 3.064,381 2.092,382 2.448,383 0.815,384 5.783,385 2.011,386 3.213,387 2.415,388 4.839,389 2.813,390 1.834,391 2.315,392 0.643,393 5.364,394 1.796,395 3.007,396 2.225,397 4.539,398 2.724,399 1.813,400 2.099,401 0.163,402 4.675,403 1.631,404 2.9,405 2.135,406 4.304,407 2.525,408 1.593,409 2.021,411 4.068,412 1.475,413 2.847,414 2.042,415 4.147,416 2.394,417 1.433,418 1.933,420 3.42,421 1.373,422 2.605,423 1.787,424 3.804,425 2.255,426 1.378,427 1.592,428 3.08,429 1.197,430 2.426,431 1.403,432 3.569,433 2.164,434 1.196,435 1.417,436 2.977,437 1.146,438 2.21,439 1.386,440 3.478,441 1.952,442 1,443 1.15,445 2.486,446 0.946,447 2.16,448 1.257,449 3.247,450 1.952,451 1,452 1.126,454 2.136,455 0.946,456 2,457 1.256,458 3.247,459 1.939,460 1,461 1,463 2.136,464 0.929,465 16.7,466 0.464,467 0.725,468 0.02,469 42.5,470 1.181,471 18,472 0.5,473 24.5,474 0.681,475 34.208,476 0.95,477 40.3,478 0.601,479 37.145,480 1.032,481 8.662,482 0.241,483 8.956,484 0.249,485 0.07,487 0.317,493 0.809,494 1.481,495 0.768,496 1.258,497 0.583,498 1.041,499 1.198,500 1.061,501 0.959,502 0.934,503 0.706,504 0.89,505 1.179,506 0.836,507 1.016,508 0.848,509 1.01,510 0.885,511 0.872,512 1.113,513 0.908,514 1.102,515 0.839,516 1.031,517 1.082,518 0.985,519 0.93,520 0.926,521 1.292,522 0.9,523 1.1,524 1.005,525 1.073,526 0.987,527 1.603,528 1.015,529 0.898,530 1.132,531 1.026,532 1.147,533 1.21,534 1.12,535 0.897,536 1.176,537 1.075,538 1.21,539 0.862,540 1.19,541 6,542 0.227,543 3.556,544 2.125,545 2.013,546 1.507,547 0.993,548 0.483,549 0.414,550 0.322,551 20132,552 52473,553 2.137,554 46.3,556 27,559 1,561 3,564 1.777,565 2.038,566 3.721,567 -0.355,573 104.201,574 1.555,575 3.535,576 4.6,577 5.118,578 5.338,579 5.338,580 3.261,581 4.517,582 5.137,583 3.883,584 2446.12,585 9.047,586 38757.2,591 406.428,592 1.256,593 5.118,594 0.15,595 0.006,596 0.065,597 0.036,598 0.035,599 0.026,600 0.018,601 0.009,602 0.008,603 0.008,604 0.36,605 0.33,606 0.75,607 0.73,608 196.194,609 -0.035,610 -0.254,611 0.076,612 -0.136,613 -0.021,614 -0.027,615 -0.12,616 0.063,617 -0.003,618 0.067,619 -0.008,620 0.061,621 -0.083,622 0.221,623 -0.035,624 0.136,625 -0.058,626 0.072,627 0.023,628 -0.092,629 0.036,630 -0.065,631 0.058,632 -0.021,633 -0.026,634 0.014,635 0.056,636 0.069,637 -0.032,638 0.08,639 -0.027,640 0.043,641 -0.101,642 0.01,643 -0.124,644 -0.049,645 -0.018,646 -0.085,647 -0.093,648 -0.108,649 -0.067,650 -0.115,651 -0.013,652 -0.17,653 -0.128,654 -0.182,655 -0.032,656 -0.182,657 1.767,658 5.932,659 0.778,660 42.556,661 1.01,662 1.128,663 1.25,664 1.563,665 0.648,666 3.714,667 4.025,668 4.317,669 4.615,670 4.89,671 4.977,672 5.182,673 5.333,674 5.472,675 5.58,676 7.866,677 0.623,678 493.61,679 3.714,680 5.252,681 6.107,682 6.987,683 7.862,684 8.751,685 9.636,686 10.53,687 11.42,688 12.318,689 4.5,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 67,733 15,734 2,735 40,737 71,738 27,739 12,740 6,741 6,742 3,746 5,747 6,752 1,761 16,762 11,766 3,771 2,773 1,775 3,781 31,782 9,783 1,784 9,790 3,794 0.8,795 6,812 5,816 1,826 1,831 1,836 2,839 2,840 4,844 1,848 36,854 10,855 1,856 4,859 2,870 9,873 2,874 2,875 2,877 17.667,878 12.233,879 8,880 4.237,881 2.903,882 1.343,883 0.977,884 7.994,885 11.378,886 3.912,887 4.431,888 4.97,889 5.536,890 6.092,891 6.414,892 6.873,893 7.282,894 7.658,895 7.986,896 1,897 59,898 13.425,900 5.757,901 7.736,902 25.734,904 21.182,905 2.236,906 80.5,910 353.133,911 146.102,912 24.259,914 94.289,917 146.102,918 447.422,919 24.259,920 8.825,921 51.501,922 66.334,923 82.128,924 55.863,926 353.133,928 353.133,929 170.362,930 94.289,933 317.82,934 107.603,935 22,937 66.575,938 94.311,939 9.476,941 353.133,942 118.549,943 146.102,946 353.133,947 70.944,948 81.408,949 18.011,950 94.289,951 353.133,952 118.549,953 146.102,955 0.57,956 0.336,957 0.194,958 0.111,959 26,960 11,961 0.099,962 7,963 1,964 1.071,965 4.629,966 353.202,967 0.071,968 28,969 178.117,974 24.932,975 11.542,976 5.823,978 118.549,979 11.169,984 3.83,986 18.011,987 617.784,988 49,993 25.612,995 1.552,997 0.355,999 67.64,1000 75.564,1001 0.256,1002 0.583,1003 0.758,1004 0.844,1005 0.88,1006 0.88,1007 5.165,1008 1.813,1009 6.075,1010 5.364,1011 4.71,1012 5.118,1013 2.78,1014 6.884,1015 4.61,1016 6.331,1017 1.593,1018 7.625,1019 4.675,1020 4.205,1021 4.868,1022 1.738,1023 7.766,1024 4.107,1025 7.623,1026 1.433,1027 9.278,1028 4.068,1029 6.29,1030 7.207,1031 3.325,1032 10.902,1033 6.116,1034 8.95,1035 1.378,1036 10.995,1037 3.42,1038 6.635,1039 7.812,1040 3.158,1041 12.64,1042 6.468,1043 10.314,1044 1.196,1045 12.752,1046 3.08,1047 8.159,1048 9.633,1049 4.31,1050 15.279,1051 7.931,1052 11.703,1053 1,1054 14.538,1055 2.977,1056 8.912,1057 10.644,1058 4.581,1059 17.377,1060 8.685,1061 13.113,1062 1,1063 16.345,1064 2.486,1065 10.2,1066 12.25,1067 5.508,1068 19.848,1069 9.928,1070 3.229,1071 1,1072 18.166,1073 2.136,1074 11.152,1075 13.463,1076 5.978,1077 22.107,1078 10.874,1079 2.938,1080 11.26,1081 20,1082 2.136,1083 12.342,1084 14.973,1085 6.789,1086 24.523,1087 12.032,1088 2.749,1089 9.441,1090 21.844,1091 4.259,1092 13.392,1093 16.29,1094 7.355,1095 26.858,1096 13.07,1097 2.603,1098 8.972,1099 23.695,1100 3.878,1101 14.545,1102 17.756,1103 8.104,1104 29.26,1105 14.199,1106 2.475,1107 8.231,1108 25.553,1109 3.361,1110 15.643,1111 19.127,1112 8.718,1113 31.632,1114 15.283,1115 2.092,1116 7.357,1117 27.417,1118 3.042,1119 16.786,1120 20.574,1121 9.433,1122 34.034,1123 16.406,1124 1.834,1125 5.783,1126 29.286,1127 2.85,1128 17.909,1129 21.975,1130 10.073,1131 36.426,1132 17.513,1133 18814,1134 30529,1135 27.334,1136 43.404,1137 59.733,1138 62.121,1139 60.608,1140 59.132,1141 59.194,1142 71.6,1143 14.595,1144 167.623,1145 56.083,1146 5.574,1147 5.642,1148 6.612,1149 5.311,1150 5.229,1151 7.259,1152 3.43,1153 18.657,1154 5.16,1155 13.977,1156 1.493,1157 1.553,1158 1.515,1159 1.478,1160 1.48,1161 1.79,1162 0.365,1163 4.191,1164 1.402,1165 4.064,1166 4.079,1167 4.028,1168 3.99,1169 7.43,1170 3.996,1171 3.875,1172 3.907,1173 3.826,1174 3.754,1175 7.426,1176 3.766,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 4.924,1182 3.614,1183 3.74,1184 3.784,1185 3.638,1186 3.552,1187 4.774,1188 3.566,1189 3.472,1190 3.538,1191 3.387,1192 3.29,1193 4.627,1194 3.304,1195 3.464,1196 3.492,1197 3.328,1198 3.253,1199 4.61,1200 3.248,1201 3.387,1202 3.42,1203 3.25,1204 3.193,1205 4.402,1206 3.214,1207 3.111,1208 3.206,1209 2.958,1210 2.941,1211 4.323,1212 2.91,1213 0.114,1214 0.091,1215 0.17,1216 0.105,1217 0.081,1218 4.574,1219 0.106,1220 3.642,1221 0.049,1222 6.81,1223 0.282,1224 4.205,1225 0.079,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.075,1234 2.095,1235 1.237,1236 2.087,1237 1.821,1238 1.799,1239 1.952,1240 2.002,1241 1.226,1242 1.988,1243 1.728,1244 1.67,1245 1.93,1246 1.961,1247 1.187,1248 1.954,1249 1.69,1250 1.639,1251 1.872,1252 1.883,1253 0.999,1254 1.879,1255 1.458,1256 1.389,1257 1.779,1258 1.698,1259 0.916,1260 1.725,1261 1.387,1262 1.356,1263 1.56,1264 1.615,1265 0.825,1266 1.596,1267 1.33,1268 1.291,1269 1.518,1270 1.53,1271 0.825,1272 1.528,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.394,1281 5.707,1283 7.228,1285 8.845,1287 10.515,1289 1.9,1295 6.04,1296 2.981,1297 22.965,1300 4.095,1305 41.728,1306 104.201,1307 236.86,1308 308.189,1309 342.918,1310 357.673,1311 357.673,1312 69.451,1313 8.476,1314 93.48,1315 93.48,1316 30,1317 12.843,1318 4,1319 3.322,1320 54.375,1321 168,1322 188,1323 0.155,1324 250.81,1325 454.04,1326 603.738,1327 64003,1329 24.907,1330 0.692,1331 0.568,1332 24.907,1333 20.456,1334 17.619,1335 0.44,1336 0.31,1337 12.144,1338 16.666,1339 11.939,1340 9.744,1341 17.619,1342 12.389,1343 15.492,1344 0.282,1345 0.16,1346 15.492,1347 8.811,1348 13.083,1349 0.177,1350 0.087,1351 13.083,1352 6.402,1353 11.456,1354 0.115,1355 0.046,1356 11.456,1357 4.552,1358 9.657,1359 0.073,1360 0.024,1361 9.657,1362 3.164,1363 0.244,1364 112.186,1365 0.191,1366 32.97,1367 0.423,1368 190,1369 610.036,1370 214.486,1371 560.441,1372 760.51,1373 530,1374 224,1375 545.456,1376 249.129,1377 540.771,1378 802.12,1379 511,1380 6.328}
{0 CHEMBL1669159,1 1.539,2 13.649,3 3.08,4 9.485,5 140.03,6 7.252,7 0.293,8 4.354,9 4.462,10 3.901,11 3.828,12 5.395,13 3.825,14 4.943,15 5.112,16 4.261,17 4.214,18 5.967,19 4.2,20 5.194,21 5.386,22 4.337,23 4.386,24 6.212,25 4.34,26 5.208,27 5.417,28 4.334,29 4.414,30 6.224,31 4.346,32 5.23,33 5.43,34 4.37,35 4.413,36 6.328,37 4.361,38 5.211,39 5.402,40 4.334,41 4.413,42 6.323,43 4.354,44 5.189,45 5.384,46 4.308,47 4.43,48 6.239,49 4.354,50 5.25,51 5.45,52 4.262,53 4.431,54 6.263,55 4.338,56 0.06,57 0.988,58 15.16,59 6.637,60 8.468,61 8.54,62 0.518,63 1.595,64 30.919,65 10.546,66 37.285,67 14.078,68 0.929,69 1.929,70 41.589,71 13.749,72 63.831,73 18.3,74 0.617,75 1.956,76 41.573,77 15.277,78 59.369,79 20.815,80 0.822,81 1.982,82 43.057,83 14.76,84 83.71,85 19.949,86 0.932,87 1.989,88 41.813,89 14.142,90 91.492,91 19.129,92 0.589,93 1.969,94 39.943,95 15.117,96 68.36,97 20.432,98 0.671,99 2.027,100 43.122,101 15.919,102 76.679,103 21.529,104 19,105 57,106 0.241,107 0.558,108 0.733,109 0.795,110 0.828,111 0.828,112 3.642,113 0.935,114 -2.68,115 -2.7,116 -2.62,119 40,120 2,125 9,127 1,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 8,174 1,175 9,178 1,180 1,183 11,186 3,187 6,190 2,192 2,195 9,198 2,199 10,204 1,207 10,211 2,212 11,217 3,220 10,223 3,224 10,227 1,229 1,232 7,236 1,237 9,240 1,242 2,245 3,249 2,250 11,255 1,258 4,262 2,263 8,266 2,268 1,271 2,275 2715,276 25.154,277 25.154,278 25.154,279 25.154,280 25.154,281 23.311,282 31.757,283 15.074,284 25.939,285 20.318,286 20.318,287 20.318,288 20.318,289 20.318,290 17.308,291 40.252,292 7.237,293 21.535,294 4.591,295 2.572,296 1.454,297 1.061,298 0.85,299 0.85,300 4.349,305 1,306 1105,307 3.742,311 573.285,315 172.86,318 2.091,319 43.105,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 81.5,331 505,332 4.574,333 3.642,334 6.81,335 4.206,336 3.229,337 4.259,338 1.959,339 11.261,340 3.16,341 4.286,342 3.631,343 6.262,344 3.91,345 2.95,346 3.88,347 1.138,348 9.484,349 2.843,350 4.01,351 3.198,352 6.122,353 3.689,354 2.752,355 3.363,356 0.86,357 8.992,358 2.6,359 3.794,360 3.162,361 5.941,362 3.555,363 2.605,364 3.043,365 0.86,366 8.24,367 2.461,368 3.695,369 2.97,370 5.479,371 3.461,372 2.486,373 2.854,374 0.86,375 7.367,376 2.388,377 3.322,378 2.811,379 5.07,380 3.127,381 2.192,382 2.454,383 0.815,384 5.848,385 2.039,386 3.259,387 2.481,388 4.907,389 2.98,390 2.003,391 2.347,392 0.643,393 5.55,394 1.93,395 3.111,396 2.376,397 4.613,398 2.786,399 1.83,400 2.18,401 0.163,402 4.9,403 1.77,404 3.004,405 2.19,406 4.539,407 2.722,408 1.783,409 2.095,411 4.675,412 1.63,413 2.847,414 2.128,415 4.189,416 2.394,417 1.437,418 1.934,420 3.625,421 1.373,422 2.735,423 1.787,424 4.05,425 2.358,426 1.427,427 1.802,428 3.378,429 1.335,430 2.605,431 1.606,432 3.804,433 2.248,434 1.335,435 1.592,436 3.076,437 1.195,438 2.426,439 1.403,440 3.569,441 2.164,442 1.196,443 1.416,445 2.975,446 1.146,447 2.21,448 1.367,449 3.478,450 1.952,451 1,452 1.149,454 2.485,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.2,466 0.465,467 0.87,468 0.024,469 43,470 1.162,471 18,472 0.486,473 25,474 0.676,475 37.108,476 1.003,477 41.6,478 0.594,479 38.047,480 1.028,481 8.621,482 0.233,483 9.353,484 0.253,485 0.097,487 0.337,493 0.807,494 1.481,495 0.784,496 1.266,497 0.599,498 1.055,499 1.173,500 1.077,501 0.934,502 0.953,503 0.684,504 0.893,505 1.268,506 0.852,507 1.068,508 0.867,509 1.045,510 0.914,511 0.843,512 1.056,513 0.86,514 1.04,515 0.81,516 0.97,517 1.081,518 1.03,519 0.935,520 0.958,521 1.294,522 0.924,523 1.098,524 1.002,525 1.09,526 0.987,527 1.573,528 1.023,529 0.845,530 1.128,531 0.991,532 1.145,533 1.132,534 1.106,535 0.946,536 1.218,537 1.103,538 1.241,539 1.052,540 1.216,541 7,542 0.289,543 3.556,544 2.25,545 2.173,546 1.535,547 1.155,548 0.545,549 0.484,550 0.416,551 21261,552 54300,553 2.116,554 47.1,556 26,559 1,561 6,564 1.785,565 2,566 3.715,567 -0.365,573 107.714,574 1.539,575 3.558,576 4.675,577 5.068,578 5.279,579 5.279,580 3.247,581 4.703,582 5.177,583 3.88,584 2583.78,585 9.134,586 41632.8,591 429.05,592 1.338,593 5.15,594 0.171,595 0.007,596 0.062,597 0.038,598 0.036,599 0.025,600 0.02,601 0.009,602 0.009,603 0.009,604 0.386,605 0.33,606 0.75,607 0.769,608 202.93,609 -0.03,610 -0.246,611 0.076,612 -0.131,613 -0.031,614 -0.026,615 -0.094,616 0.049,617 0.029,618 0.056,619 0.016,620 0.069,621 -0.107,622 0.204,623 -0.075,624 0.117,625 -0.078,626 0.041,627 0.04,628 -0.046,629 0.093,630 -0.008,631 0.074,632 0.044,633 -0.021,634 -0.014,635 0.046,636 0.049,637 -0.029,638 0.06,639 -0.033,640 0.063,641 -0.116,642 0.011,643 -0.128,644 -0.054,645 0.005,646 -0.081,647 -0.057,648 -0.099,649 -0.031,650 -0.091,651 -0.027,652 -0.204,653 -0.153,654 -0.207,655 -0.068,656 -0.209,657 1.769,658 5.975,659 0.757,660 43.781,661 1.007,662 1.128,663 1.448,664 2.098,665 0.645,666 3.738,667 4.06,668 4.331,669 4.635,670 4.913,671 5.004,672 5.215,673 5.366,674 5.509,675 5.624,676 7.883,677 0.618,678 507.64,679 3.738,680 5.283,681 6.133,682 7.017,683 7.888,684 8.779,685 9.661,686 10.557,687 11.446,688 12.345,689 4.3,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 70,733 15,734 2,735 41,737 74,738 28,739 12,740 6,741 6,742 3,746 5,747 6,752 2,758 1,761 16,762 12,766 3,771 2,773 1,775 3,781 33,782 9,783 1,784 9,790 3,794 0.8,795 6,812 5,816 1,826 1,831 1,836 2,839 2,840 4,844 2,848 37,854 9,855 1,856 4,858 1,859 2,870 8.6,873 2,874 2,875 2,877 18.5,878 13.067,879 8.083,880 4.376,881 2.903,882 1.341,883 0.971,884 8.227,885 11.42,886 3.932,887 4.454,888 4.977,889 5.548,890 6.105,891 6.431,892 6.895,893 7.306,894 7.682,895 8.016,896 1,897 60,898 13.807,900 5.925,901 7.725,902 26.491,904 21.856,905 2.225,906 82.333,910 376.675,911 150.335,912 24.259,914 94.289,917 150.335,918 470.965,919 24.259,920 17.65,921 46.909,922 66.334,923 82.128,924 55.863,926 376.675,928 376.675,929 174.595,930 94.289,933 306.049,934 142.916,935 22,937 70.808,938 94.311,939 9.476,941 376.675,942 118.549,943 150.335,946 376.675,947 66.351,948 90.233,949 18.011,950 94.289,951 376.675,952 118.549,953 150.335,955 0.577,956 0.328,957 0.188,958 0.109,959 27,960 12,961 0.095,962 7,963 1,964 1.071,965 4.669,966 367.794,967 0.071,968 28,969 182.75,974 25.89,975 11.757,976 6.224,978 118.549,979 11.199,984 3.817,986 18.011,987 645.559,988 50,993 25.736,995 1.553,997 0.351,999 70.523,1000 78.979,1001 0.251,1002 0.58,1003 0.763,1004 0.827,1005 0.861,1006 0.861,1007 5.193,1008 1.83,1009 6.111,1010 5.55,1011 4.745,1012 5.142,1013 2.78,1014 6.919,1015 4.645,1016 6.364,1017 1.783,1018 7.662,1019 4.9,1020 4.29,1021 4.913,1022 1.738,1023 7.796,1024 4.183,1025 7.656,1026 1.437,1027 9.313,1028 4.675,1029 6.326,1030 7.221,1031 3.325,1032 10.924,1033 6.148,1034 8.981,1035 1.427,1036 11.026,1037 3.625,1038 6.686,1039 7.828,1040 3.158,1041 12.653,1042 6.508,1043 10.341,1044 1.335,1045 12.779,1046 3.378,1047 8.191,1048 9.641,1049 4.31,1050 15.294,1051 7.954,1052 11.727,1053 1.196,1054 14.561,1055 3.076,1056 8.945,1057 10.651,1058 4.581,1059 17.387,1060 8.706,1061 13.133,1062 1,1063 16.364,1064 2.975,1065 10.225,1066 12.254,1067 5.508,1068 19.859,1069 9.943,1070 3.229,1071 1,1072 18.183,1073 2.485,1074 11.177,1075 13.467,1076 5.978,1077 22.116,1078 10.887,1079 2.95,1080 11.261,1081 20.014,1082 2.136,1083 12.363,1084 14.976,1085 6.789,1086 24.532,1087 12.042,1088 2.752,1089 9.484,1090 21.856,1091 4.259,1092 13.412,1093 16.293,1094 7.355,1095 26.866,1096 13.079,1097 2.605,1098 8.992,1099 23.706,1100 3.88,1101 14.564,1102 17.759,1103 8.104,1104 29.268,1105 14.206,1106 2.486,1107 8.24,1108 25.563,1109 3.363,1110 15.661,1111 19.13,1112 8.718,1113 31.639,1114 15.289,1115 2.192,1116 7.367,1117 27.426,1118 3.043,1119 16.803,1120 20.577,1121 9.433,1122 34.041,1123 16.412,1124 2.003,1125 5.848,1126 29.294,1127 2.854,1128 17.925,1129 21.977,1130 10.073,1131 36.432,1132 17.519,1133 19937,1134 32029,1135 27.739,1136 45.165,1137 61.783,1138 64.086,1139 62.261,1140 61.032,1141 61.08,1142 73.48,1143 14.595,1144 173.865,1145 57.925,1146 5.574,1147 5.642,1148 6.612,1149 5.312,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 16.404,1156 1.507,1157 1.563,1158 1.519,1159 1.489,1160 1.49,1161 1.792,1162 0.356,1163 4.241,1164 1.413,1165 4.065,1166 4.08,1167 4.029,1168 3.991,1169 7.43,1170 3.997,1171 3.878,1172 3.909,1173 3.829,1174 3.756,1175 7.426,1176 3.769,1177 3.808,1178 3.861,1179 3.702,1180 3.597,1181 4.925,1182 3.614,1183 3.743,1184 3.788,1185 3.639,1186 3.553,1187 4.776,1188 3.567,1189 3.58,1190 3.643,1191 3.418,1192 3.411,1193 4.627,1194 3.401,1195 3.465,1196 3.493,1197 3.387,1198 3.284,1199 4.61,1200 3.299,1201 3.393,1202 3.422,1203 3.299,1204 3.193,1205 4.416,1206 3.218,1207 3.111,1208 3.206,1209 2.962,1210 2.941,1211 4.345,1212 2.91,1213 0.112,1214 0.089,1215 0.166,1216 0.103,1217 0.079,1218 4.574,1219 0.104,1220 3.642,1221 0.048,1222 6.81,1223 0.275,1224 4.206,1225 0.077,1226 3.229,1227 4.259,1228 1.959,1229 11.261,1230 3.16,1231 2.006,1232 1.994,1233 2.076,1234 2.096,1235 1.238,1236 2.087,1237 1.823,1238 1.802,1239 1.954,1240 2.003,1241 1.227,1242 1.989,1243 1.728,1244 1.67,1245 1.933,1246 1.962,1247 1.188,1248 1.956,1249 1.692,1250 1.64,1251 1.895,1252 1.89,1253 1.06,1254 1.889,1255 1.577,1256 1.513,1257 1.836,1258 1.776,1259 0.967,1260 1.801,1261 1.388,1262 1.361,1263 1.56,1264 1.616,1265 0.825,1266 1.596,1267 1.33,1268 1.292,1269 1.518,1270 1.532,1271 0.825,1272 1.528,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.419,1281 5.74,1283 7.259,1285 8.873,1287 10.539,1289 3.884,1295 5.571,1296 3.002,1297 23.215,1299 -0.094,1300 4.099,1305 43.255,1306 107.714,1307 249.037,1308 327.275,1309 354.785,1310 369.54,1311 369.54,1312 74.235,1313 8.517,1314 93.48,1315 93.48,1316 30,1317 12.87,1318 4,1319 3.322,1320 56.585,1321 173,1322 194,1323 0.156,1324 260.403,1325 471.34,1326 627.143,1327 66715,1329 25.777,1330 0.697,1331 0.576,1332 25.777,1333 21.327,1334 17.974,1335 0.438,1336 0.312,1337 12.542,1338 17.031,1339 12.264,1340 10.048,1341 17.974,1342 12.783,1343 16.333,1344 0.287,1345 0.167,1346 16.333,1347 9.545,1348 13.197,1349 0.176,1350 0.086,1351 13.197,1352 6.465,1353 11.626,1354 0.114,1355 0.045,1356 11.626,1357 4.629,1358 9.825,1359 0.073,1360 0.024,1361 9.825,1362 3.224,1363 0.246,1364 114.229,1365 0.19,1366 33.627,1367 0.429,1368 196,1369 616.036,1370 221.151,1371 567.662,1372 770.93,1373 536,1374 230,1375 556.365,1376 255.461,1377 552.149,1378 816.93,1379 521,1380 6.538}
{0 CHEMBL1669160,1 1.523,2 13.684,3 3.545,4 12.569,5 144.608,6 7.146,7 0.286,8 4.39,9 4.5,10 3.924,11 3.865,12 5.42,13 3.858,14 4.982,15 5.155,16 4.276,17 4.258,18 5.981,19 4.235,20 5.235,21 5.432,22 4.363,23 4.429,24 6.238,25 4.373,26 5.289,27 5.513,28 4.341,29 4.433,30 6.275,31 4.361,32 5.23,33 5.431,34 4.378,35 4.42,36 6.321,37 4.37,38 5.21,39 5.39,40 4.376,41 4.443,42 6.332,43 4.387,44 5.241,45 5.437,46 4.343,47 4.486,48 6.27,49 4.407,50 5.316,51 5.528,52 4.319,53 4.504,54 6.286,55 4.403,56 0.047,57 1.026,58 16.1,59 6.973,60 8.394,61 9.076,62 0.516,63 1.66,64 32.557,65 11.129,66 38.437,67 15.032,68 0.812,69 2.024,70 43.207,71 14.66,72 61.131,73 19.908,74 0.753,75 2.037,76 46.542,77 16.088,78 70.439,79 22.149,80 0.798,81 1.981,82 43.307,83 14.766,84 82.381,85 20.041,86 0.845,87 2.014,88 41.541,89 14.503,90 87.227,91 19.569,92 0.624,93 2.102,94 42.404,95 15.572,96 72.015,97 21.315,98 0.607,99 2.171,100 46.342,101 17.329,102 67.671,103 23.864,104 20,105 58,106 0.237,107 0.546,108 0.727,109 0.801,110 0.832,111 0.832,112 3.668,113 0.946,114 -2.87,115 -2.88,116 -2.79,119 39.7,120 2,122 1,125 10,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 10,174 1,175 8,178 1,180 1,183 11,186 3,187 8,190 2,192 2,195 9,198 2,199 10,204 1,207 9,211 2,212 11,217 2,220 10,223 3,224 10,227 1,229 3,232 9,236 1,237 8,240 1,242 2,245 6,249 2,250 11,255 1,258 4,262 2,263 12,266 2,268 1,271 5,275 2964,276 25.861,277 25.861,278 25.861,279 25.861,280 25.861,281 24.018,282 30.679,283 15.529,284 26.607,285 20.801,286 20.801,287 20.801,288 20.801,289 20.801,290 17.781,291 37.927,292 7.457,293 21.967,294 4.667,295 2.684,296 1.52,297 1.045,298 0.843,299 0.843,300 4.375,305 1,306 1134,307 3.873,311 593.023,315 178.917,318 2.033,319 43.813,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 83.5,331 520,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.282,342 3.63,343 6.253,344 3.903,345 2.941,346 3.878,347 1.138,348 9.445,349 2.84,350 4.008,351 3.188,352 6.117,353 3.687,354 2.749,355 3.361,356 0.86,357 8.974,358 2.598,359 3.794,360 3.137,361 5.938,362 3.555,363 2.604,364 3.042,365 0.86,366 8.232,367 2.461,368 3.691,369 2.949,370 5.477,371 3.454,372 2.479,373 2.851,374 0.86,375 7.358,376 2.385,377 3.319,378 2.808,379 5.07,380 3.186,381 2.215,382 2.45,383 0.815,384 5.794,385 2.151,386 3.252,387 2.429,388 4.856,389 3.046,390 2.061,391 2.331,392 0.643,393 5.442,394 2.004,395 3.163,396 2.336,397 4.644,398 2.805,399 1.832,400 2.206,401 0.163,402 5.075,403 1.79,404 3.006,405 2.193,406 4.539,407 2.723,408 1.801,409 2.097,411 4.675,412 1.631,413 2.85,414 2.129,415 4.263,416 2.456,417 1.517,418 1.955,420 3.957,421 1.421,422 2.842,423 1.81,424 4.138,425 2.394,426 1.432,427 1.931,428 3.415,429 1.373,430 2.605,431 1.787,432 3.804,433 2.252,434 1.368,435 1.592,436 3.079,437 1.196,438 2.426,439 1.403,440 3.569,441 2.164,442 1.196,443 1.416,445 2.977,446 1.146,447 2.21,448 1.374,449 3.478,450 1.952,451 1,452 1.149,454 2.485,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.7,466 0.466,467 0.87,468 0.023,469 43.5,470 1.145,471 18,472 0.474,473 25.5,474 0.671,475 39.094,476 1.029,477 42.9,478 0.588,479 38.664,480 1.017,481 8.631,482 0.227,483 9.844,484 0.259,485 0.094,487 0.328,493 0.805,494 1.482,495 0.8,496 1.273,497 0.594,498 1.068,499 1.175,500 1.064,501 0.954,502 0.947,503 0.698,504 0.903,505 1.127,506 0.952,507 1.037,508 0.974,509 0.979,510 0.982,511 0.998,512 0.952,513 0.866,514 0.927,515 0.85,516 0.884,517 1.119,518 0.986,519 0.923,520 0.919,521 1.335,522 0.888,523 1.092,524 1.096,525 1.076,526 1.049,527 1.601,528 1.056,529 0.909,530 1.111,531 1.065,532 1.127,533 1.189,534 1.12,535 0.808,536 1.165,537 1.009,538 1.197,539 0.762,540 1.155,541 7,542 0.343,543 3.778,544 2.125,545 2.093,546 1.618,547 1.035,548 0.663,549 0.463,550 0.391,551 22706,552 56635,553 2.113,554 47.9,555 6,556 27,559 1,561 1,564 1.792,565 2,566 3.707,567 -0.374,573 111.186,574 1.523,575 3.506,576 4.669,577 5.145,578 5.347,579 5.347,580 3.228,581 4.596,582 5.216,583 3.889,584 2733.93,585 9.218,586 45187.2,591 451.857,592 1.324,593 5.189,594 0.167,595 0.008,596 0.065,597 0.035,598 0.035,599 0.026,600 0.017,601 0.011,602 0.008,603 0.008,604 0.379,605 0.33,606 0.75,607 0.894,608 210.157,609 -0.025,610 -0.239,611 0.076,612 -0.126,613 -0.023,614 -0.025,615 -0.096,616 0.065,617 0.016,618 0.07,619 0.004,620 0.068,621 -0.047,622 0.112,623 -0.054,624 0.023,625 -0.039,626 -0.011,627 0.004,628 0.024,629 0.119,630 0.077,631 0.059,632 0.113,633 -0.022,634 0.037,635 0.065,636 0.089,637 -0.025,638 0.095,639 -0.012,640 -0.016,641 -0.104,642 -0.025,643 -0.111,644 -0.075,645 -0.037,646 -0.031,647 -0.123,648 -0.089,649 -0.09,650 -0.114,651 0.023,652 -0.151,653 -0.065,654 -0.157,655 0.024,656 -0.133,657 1.764,658 6.007,659 0.737,660 46.316,661 1.006,662 1.129,663 1.644,664 2.702,665 0.643,666 3.761,667 4.078,668 4.344,669 4.635,670 4.92,671 5.017,672 5.226,673 5.389,674 5.529,675 5.645,676 7.997,677 0.613,678 521.67,679 3.761,680 5.303,681 6.151,682 7.029,683 7.898,684 8.786,685 9.667,686 10.559,687 11.448,688 12.345,689 4.1,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 73,733 15,734 2,735 42,737 77,738 29,739 12,740 6,741 6,742 3,746 5,747 6,752 2,761 16,762 13,763 1,766 3,771 2,773 1,775 3,781 35,782 9,783 1,784 9,790 3,794 0.8,795 6,812 5,816 1,826 1,831 1,836 2,839 2,840 4,844 2,848 38,854 10,855 1,856 4,858 1,859 2,870 8.2,873 2,874 2,875 2,877 19,878 13.567,879 8.333,880 4.571,881 2.903,882 1.339,883 0.966,884 8.769,885 11.461,886 3.951,887 4.466,888 4.984,889 5.544,890 6.105,891 6.434,892 6.895,893 7.311,894 7.691,895 8.02,896 1,897 61,898 14.187,900 6.069,901 7.706,902 27.307,904 22.537,905 2.206,906 83.833,910 400.217,911 154.928,912 24.259,914 94.289,917 154.928,918 494.507,919 24.259,920 17.65,921 51.501,922 66.334,923 82.128,924 55.863,926 400.217,928 400.217,929 179.187,930 94.289,933 388.446,934 84.061,935 22,937 75.4,938 94.311,939 9.476,941 400.217,942 118.549,943 154.928,946 400.217,947 70.944,948 90.233,949 18.011,950 94.289,951 400.217,952 118.549,953 154.928,955 0.576,956 0.326,957 0.182,958 0.106,959 27,960 12,961 0.104,962 8,963 1,964 1.071,965 4.754,966 379.398,967 0.071,968 28,969 189.421,974 26.851,975 12.411,976 6.649,978 118.549,979 11.253,984 3.865,986 18.011,987 673.694,988 51,993 25.821,995 1.557,997 0.361,999 73.407,1000 82.395,1001 0.246,1002 0.566,1003 0.754,1004 0.831,1005 0.864,1006 0.864,1007 5.209,1008 1.832,1009 6.125,1010 5.442,1011 4.762,1012 5.153,1013 2.78,1014 6.925,1015 4.668,1016 6.376,1017 1.801,1018 7.671,1019 5.075,1020 4.29,1021 4.913,1022 1.738,1023 7.796,1024 4.201,1025 7.665,1026 1.517,1027 9.319,1028 4.675,1029 6.337,1030 7.226,1031 3.325,1032 10.919,1033 6.169,1034 8.987,1035 1.432,1036 11.029,1037 3.957,1038 6.686,1039 7.828,1040 3.158,1041 12.649,1042 6.525,1043 10.345,1044 1.368,1045 12.78,1046 3.415,1047 8.195,1048 9.641,1049 4.31,1050 15.285,1051 7.97,1052 11.729,1053 1.196,1054 14.56,1055 3.079,1056 8.942,1057 10.649,1058 4.581,1059 17.38,1060 8.718,1061 13.134,1062 1,1063 16.362,1064 2.977,1065 10.223,1066 12.253,1067 5.508,1068 19.85,1069 9.952,1070 3.229,1071 1,1072 18.179,1073 2.485,1074 11.17,1075 13.465,1076 5.978,1077 22.108,1078 10.893,1079 2.941,1080 11.26,1081 20.01,1082 2.136,1083 12.357,1084 14.974,1085 6.789,1086 24.524,1087 12.046,1088 2.749,1089 9.445,1090 21.851,1091 4.259,1092 13.403,1093 16.29,1094 7.355,1095 26.858,1096 13.081,1097 2.604,1098 8.974,1099 23.701,1100 3.878,1101 14.555,1102 17.757,1103 8.104,1104 29.26,1105 14.207,1106 2.479,1107 8.232,1108 25.557,1109 3.361,1110 15.65,1111 19.127,1112 8.718,1113 31.632,1114 15.289,1115 2.215,1116 7.358,1117 27.42,1118 3.042,1119 16.793,1120 20.575,1121 9.433,1122 34.034,1123 16.41,1124 2.061,1125 5.794,1126 29.288,1127 2.851,1128 17.914,1129 21.975,1130 10.073,1131 36.426,1132 17.517,1133 21356,1134 33913,1135 28.433,1136 46.926,1137 62.967,1138 65.536,1139 63.554,1140 62.309,1141 62.423,1142 74.833,1143 14.595,1144 176.574,1145 59.335,1146 5.574,1147 5.642,1148 6.612,1149 5.312,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 16.867,1156 1.499,1157 1.56,1158 1.513,1159 1.484,1160 1.486,1161 1.782,1162 0.348,1163 4.204,1164 1.413,1165 4.066,1166 4.081,1167 4.029,1168 3.991,1169 7.43,1170 3.997,1171 3.878,1172 3.909,1173 3.829,1174 3.756,1175 7.426,1176 3.768,1177 3.807,1178 3.86,1179 3.702,1180 3.599,1181 4.924,1182 3.615,1183 3.746,1184 3.794,1185 3.64,1186 3.558,1187 4.772,1188 3.569,1189 3.664,1190 3.725,1191 3.504,1192 3.525,1193 4.627,1194 3.512,1195 3.465,1196 3.493,1197 3.387,1198 3.285,1199 4.61,1200 3.3,1201 3.396,1202 3.424,1203 3.307,1204 3.194,1205 4.405,1206 3.219,1207 3.111,1208 3.206,1209 2.977,1210 2.941,1211 4.338,1212 2.91,1213 0.109,1214 0.087,1215 0.162,1216 0.1,1217 0.077,1218 4.574,1219 0.101,1220 3.642,1221 0.047,1222 6.81,1223 0.268,1224 4.205,1225 0.075,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.076,1234 2.096,1235 1.241,1236 2.087,1237 1.824,1238 1.802,1239 1.97,1240 2.004,1241 1.228,1242 1.989,1243 1.729,1244 1.671,1245 1.948,1246 1.963,1247 1.211,1248 1.958,1249 1.7,1250 1.645,1251 1.925,1252 1.9,1253 1.18,1254 1.912,1255 1.67,1256 1.612,1257 1.857,1258 1.837,1259 0.98,1260 1.852,1261 1.389,1262 1.362,1263 1.56,1264 1.618,1265 0.825,1266 1.596,1267 1.331,1268 1.293,1269 1.519,1270 1.534,1271 0.825,1272 1.53,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.443,1281 5.759,1283 7.273,1285 8.881,1287 10.543,1289 4.153,1295 6.083,1296 3.02,1297 23.304,1299 0.308,1300 4.109,1305 44.782,1306 111.186,1307 255.949,1308 340.863,1309 375.593,1310 390.347,1311 390.347,1312 78.411,1313 8.558,1314 93.48,1315 93.48,1316 30,1317 12.871,1318 4,1319 3.322,1320 58.836,1321 180,1322 200,1323 0.156,1324 269.995,1325 488.64,1326 650.548,1327 69833,1329 26.485,1330 0.697,1331 0.58,1332 26.485,1333 22.034,1334 18.474,1335 0.44,1336 0.315,1337 13,1338 17.544,1339 12.698,1340 10.45,1341 18.474,1342 13.245,1343 16.674,1344 0.287,1345 0.174,1346 16.674,1347 10.083,1348 13.538,1349 0.178,1350 0.088,1351 13.538,1352 6.674,1353 11.633,1354 0.114,1355 0.046,1356 11.633,1357 4.653,1358 9.936,1359 0.073,1360 0.024,1361 9.936,1362 3.293,1363 0.244,1364 117.321,1365 0.188,1366 34.355,1367 0.428,1368 200,1369 620.036,1370 224.486,1371 571.902,1372 775.13,1373 540,1374 234,1375 555.456,1376 259.793,1377 553.378,1378 818.9,1379 521,1380 6.824}
{0 CHEMBL1669161,1 1.551,2 13.676,3 2.97,4 8.823,5 140.026,6 7.436,7 0.293,8 4.329,9 4.433,10 3.897,11 3.811,12 5.404,13 3.814,14 4.903,15 5.063,16 4.241,17 4.19,18 5.951,19 4.18,20 5.145,21 5.333,22 4.332,23 4.36,24 6.186,25 4.319,26 5.176,27 5.376,28 4.32,29 4.383,30 6.217,31 4.323,32 5.199,33 5.401,34 4.349,35 4.377,36 6.311,37 4.331,38 5.144,39 5.323,40 4.325,41 4.37,42 6.301,43 4.321,44 5.127,45 5.311,46 4.286,47 4.387,48 6.217,49 4.322,50 5.192,51 5.394,52 4.244,53 4.392,54 6.22,55 4.304,56 0.073,57 0.958,58 14.127,59 6.378,60 9.828,61 8,62 0.543,63 1.546,64 28.874,65 10.059,66 37.365,67 12.973,68 0.846,69 1.877,70 38.563,71 13.243,72 61.875,73 17.349,74 0.67,75 1.898,76 39.811,77 14.704,78 61.506,79 19.538,80 0.868,81 1.919,82 41.623,83 14.285,84 85.784,85 18.944,86 0.897,87 1.875,88 38.196,89 13.453,90 89.882,91 17.572,92 0.623,93 1.879,94 36.682,95 13.978,96 70.316,97 18.419,98 0.634,99 1.94,100 40.078,101 15.216,102 68.563,103 20.398,104 13,105 56,106 0.244,107 0.583,108 0.753,109 0.817,110 0.851,111 0.851,112 3.642,113 0.915,114 -2.6,115 -2.63,116 -2.56,119 41.2,125 10,134 1,135 2,139 1,142 6,143 3,144 3,157 1,158 1,172 9,174 1,175 8,178 1,180 1,183 10,186 3,187 7,190 2,192 2,195 9,198 2,199 10,204 1,207 9,211 2,212 11,217 2,220 9,223 3,224 10,227 1,229 2,232 7,236 1,237 8,240 1,242 2,245 4,249 2,250 10,255 1,258 3,262 2,263 10,266 2,268 1,271 3,275 2746,276 25.576,277 25.576,278 25.576,279 25.576,280 25.576,281 23.604,282 31.619,283 15.55,284 26.341,285 20.284,286 20.284,287 20.284,288 20.284,289 20.284,290 17.042,291 38.646,292 7.405,293 21.478,294 4.536,295 2.381,296 1.298,297 0.893,298 0.676,299 0.676,300 4.352,305 1,306 1107,307 3.606,311 574.065,315 173.138,318 2.08,319 43.959,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 81.5,331 506,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.281,342 3.63,343 6.253,344 3.901,345 2.939,346 3.878,347 1.151,348 9.442,349 2.839,350 4.008,351 3.188,352 6.117,353 3.686,354 2.749,355 3.361,356 1.138,357 8.973,358 2.597,359 3.794,360 3.138,361 5.938,362 3.554,363 2.603,364 3.042,365 0.86,366 8.231,367 2.461,368 3.689,369 2.949,370 5.477,371 3.451,372 2.476,373 2.851,374 0.86,375 7.357,376 2.381,377 3.318,378 2.807,379 5.07,380 3.065,381 2.094,382 2.449,383 0.815,384 5.784,385 2.011,386 3.216,387 2.421,388 4.841,389 2.817,390 1.836,391 2.318,392 0.643,393 5.37,394 1.798,395 3.009,396 2.265,397 4.539,398 2.725,399 1.818,400 2.101,401 0.163,402 4.675,403 1.632,404 2.955,405 2.162,406 4.311,407 2.588,408 1.648,409 2.051,411 4.115,412 1.536,413 2.847,414 2.122,415 4.149,416 2.394,417 1.433,418 1.933,420 3.425,421 1.373,422 2.734,423 1.787,424 3.804,425 2.274,426 1.391,427 1.693,428 3.082,429 1.245,430 2.605,431 1.606,432 3.57,433 2.232,434 1.263,435 1.592,436 2.978,437 1.193,438 2.426,439 1.403,440 3.478,441 2.164,442 1.196,443 1.416,445 2.507,446 1.146,447 2.21,448 1.369,449 3.419,450 1.952,451 1,452 1.149,454 2.476,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.2,466 0.465,467 0.725,468 0.02,469 44,470 1.189,471 19,472 0.514,473 25,474 0.676,475 34.344,476 0.928,477 41,478 0.603,479 39.754,480 1.074,481 9.19,482 0.248,483 8.929,484 0.241,485 0.068,487 0.308,493 0.81,494 1.451,495 0.762,496 1.234,497 0.609,498 1.024,499 1.217,500 1.069,501 0.978,502 0.946,503 0.726,504 0.905,505 1.146,506 0.883,507 1.021,508 0.901,509 0.99,510 0.924,511 0.929,512 1.053,513 0.904,514 1.039,515 0.84,516 0.982,517 1.097,518 0.958,519 0.916,520 0.896,521 1.287,522 0.872,523 1.1,524 1.029,525 1.062,526 0.996,527 1.601,528 1.015,529 0.919,530 1.108,531 1.042,532 1.124,533 1.219,534 1.109,535 0.841,536 1.157,537 1.027,538 1.19,539 0.733,540 1.159,541 6,542 0.264,543 3.556,544 2.125,545 2.013,546 1.507,547 1.013,548 0.542,549 0.414,550 0.332,551 21417,552 56633,553 2.133,554 45.6,556 30,559 1,564 1.785,565 2.037,566 3.719,567 -0.365,573 105.497,574 1.551,575 3.706,576 4.789,577 5.194,578 5.411,579 5.411,580 3.247,581 4.831,582 5.177,583 3.887,584 2588.94,585 9.134,586 41944.6,591 413.947,592 1.241,593 5.159,594 0.146,595 0.007,596 0.063,597 0.035,598 0.034,599 0.025,600 0.017,601 0.01,602 0.008,603 0.007,604 0.352,605 0.33,606 0.75,607 0.857,608 203.192,609 -0.035,610 -0.246,611 0.074,612 -0.132,613 -0.033,614 -0.027,615 -0.127,616 0.053,617 -0.029,618 0.048,619 -0.026,620 0.036,621 -0.067,622 0.175,623 -0.047,624 0.082,625 -0.048,626 0.032,627 0.01,628 -0.054,629 0.055,630 -0.02,631 0.053,632 0.019,633 -0.027,634 0.039,635 0.071,636 0.096,637 -0.032,638 0.104,639 -0.021,640 0.02,641 -0.097,642 0.005,643 -0.126,644 -0.052,645 -0.033,646 -0.056,647 -0.112,648 -0.094,649 -0.084,650 -0.114,651 0.01,652 -0.154,653 -0.085,654 -0.163,655 0.031,656 -0.148,657 1.788,658 5.96,659 0.757,660 44.732,661 1.009,662 1.126,663 1.374,664 1.889,665 0.653,666 3.738,667 4.043,668 4.331,669 4.625,670 4.905,671 4.997,672 5.204,673 5.361,674 5.501,675 5.613,676 7.938,677 0.628,678 505.62,679 3.738,680 5.273,681 6.125,682 7.002,683 7.875,684 8.763,685 9.646,686 10.54,687 11.43,688 12.327,689 4.4,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 68,733 16,734 2,735 41,737 72,738 28,739 12,740 6,741 6,742 3,746 5,747 6,761 18,762 10,766 4,767 1,771 2,773 2,775 3,781 31,782 9,783 1,784 9,790 3,794 0.8,795 6,812 5,816 1,826 1,830 1,831 2,836 2,839 2,840 4,848 37,854 10,855 1,856 4,859 2,870 8.8,873 2,874 2,875 2,877 18.167,878 12.067,879 8.25,880 4.071,881 2.943,882 1.346,883 0.978,884 8.337,885 11.461,886 3.951,887 4.454,888 4.984,889 5.544,890 6.105,891 6.434,892 6.895,893 7.311,894 7.691,895 8.02,896 1,897 60,898 13.779,900 5.899,901 7.757,902 26.311,904 21.591,905 2.257,906 83.5,910 353.133,911 162.52,912 24.259,914 94.289,917 162.52,918 447.422,919 24.259,921 67.268,922 75.81,923 82.128,924 55.863,926 353.133,928 353.133,929 186.78,930 94.289,933 353.133,934 72.29,935 22,937 57.75,938 110.077,939 18.952,941 353.133,942 118.549,943 162.52,946 353.133,947 70.944,948 82.059,949 18.011,950 110.056,951 353.133,952 118.549,953 162.52,955 0.568,956 0.332,957 0.189,958 0.11,959 26,960 11,961 0.111,962 8,963 1,964 1.071,965 4.705,966 365.581,967 0.071,968 28,969 184.75,974 25.641,975 12.03,976 6.117,978 118.549,979 11.075,984 3.662,986 18.011,987 634.202,988 51,989 3.735,993 25.689,995 3.195,997 0.313,999 68.64,1000 76.564,1001 0.255,1002 0.609,1003 0.787,1004 0.853,1005 0.889,1006 0.889,1007 5.198,1008 1.818,1009 6.089,1010 5.37,1011 4.727,1012 5.142,1013 2.85,1014 6.893,1015 4.629,1016 6.36,1017 1.648,1018 7.635,1019 4.675,1020 4.205,1021 4.868,1022 1.738,1023 7.766,1024 4.107,1025 7.647,1026 1.433,1027 9.285,1028 4.115,1029 6.301,1030 7.219,1031 3.408,1032 10.904,1033 6.128,1034 8.969,1035 1.391,1036 10.999,1037 3.425,1038 6.635,1039 7.812,1040 3.158,1041 12.64,1042 6.468,1043 10.328,1044 1.263,1045 12.755,1046 3.082,1047 8.165,1048 9.637,1049 4.361,1050 15.28,1051 7.936,1052 11.714,1053 1.196,1054 14.54,1055 2.978,1056 8.912,1057 10.644,1058 4.581,1059 17.378,1060 8.685,1061 13.12,1062 1,1063 16.346,1064 2.507,1065 10.202,1066 12.251,1067 5.53,1068 19.848,1069 9.93,1070 3.229,1071 1,1072 18.167,1073 2.476,1074 11.153,1075 13.463,1076 5.978,1077 22.107,1078 10.874,1079 2.939,1080 11.26,1081 20.001,1082 2.136,1083 12.343,1084 14.974,1085 6.798,1086 24.523,1087 12.032,1088 2.749,1089 9.442,1090 21.844,1091 4.259,1092 13.392,1093 16.29,1094 7.355,1095 26.858,1096 13.07,1097 2.603,1098 8.973,1099 23.695,1100 3.878,1101 14.546,1102 17.757,1103 8.107,1104 29.26,1105 14.199,1106 2.476,1107 8.231,1108 25.553,1109 3.361,1110 15.643,1111 19.127,1112 8.718,1113 31.632,1114 15.283,1115 2.094,1116 7.357,1117 27.417,1118 3.042,1119 16.787,1120 20.575,1121 9.434,1122 34.034,1123 16.406,1124 1.836,1125 5.784,1126 29.286,1127 2.851,1128 17.91,1129 21.975,1130 10.073,1131 36.426,1132 17.513,1133 20081,1134 32804,1135 28.027,1136 44.404,1137 61.251,1138 63.243,1139 61.852,1140 60.325,1141 60.396,1142 73.522,1143 15.177,1144 170.074,1145 57.311,1146 5.574,1147 5.642,1148 6.67,1149 5.311,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 14.324,1156 1.494,1157 1.543,1158 1.509,1159 1.471,1160 1.473,1161 1.793,1162 0.37,1163 4.148,1164 1.398,1165 4.064,1166 4.079,1167 4.029,1168 3.99,1169 7.43,1170 3.996,1171 3.876,1172 3.907,1173 3.828,1174 3.755,1175 7.426,1176 3.767,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 4.935,1182 3.614,1183 3.741,1184 3.785,1185 3.639,1186 3.552,1187 4.812,1188 3.566,1189 3.556,1190 3.609,1191 3.419,1192 3.42,1193 4.666,1194 3.41,1195 3.465,1196 3.493,1197 3.387,1198 3.285,1199 4.625,1200 3.3,1201 3.394,1202 3.422,1203 3.302,1204 3.194,1205 4.6,1206 3.218,1207 3.111,1208 3.206,1209 2.969,1210 2.941,1211 4.382,1212 2.91,1213 0.112,1214 0.089,1215 0.166,1216 0.103,1217 0.079,1218 4.574,1219 0.104,1220 3.642,1221 0.048,1222 6.81,1223 0.275,1224 4.205,1225 0.077,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.075,1234 2.095,1235 1.237,1236 2.087,1237 1.821,1238 1.8,1239 1.952,1240 2.002,1241 1.226,1242 1.988,1243 1.728,1244 1.67,1245 1.93,1246 1.961,1247 1.187,1248 1.954,1249 1.691,1250 1.639,1251 1.872,1252 1.883,1253 0.989,1254 1.879,1255 1.554,1256 1.502,1257 1.789,1258 1.727,1259 0.825,1260 1.748,1261 1.388,1262 1.361,1263 1.56,1264 1.616,1265 0.825,1266 1.596,1267 1.33,1268 1.293,1269 1.518,1270 1.532,1271 0.811,1272 1.528,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.419,1281 5.727,1283 7.242,1285 8.855,1287 10.522,1295 5.776,1296 2.971,1297 23.007,1300 4.078,1305 42.728,1306 105.497,1307 252.025,1308 325.683,1309 353.193,1310 367.947,1311 367.947,1312 73.005,1313 8.517,1314 93.48,1315 93.48,1316 30,1317 12.853,1318 4.087,1319 3.459,1320 56.578,1321 174,1322 194,1323 0.155,1324 257.475,1325 468.7,1326 620,1327 66917,1329 25.614,1330 0.692,1331 0.561,1332 25.614,1333 20.741,1334 18.119,1335 0.442,1336 0.305,1337 12.253,1338 17.182,1339 12.062,1340 9.856,1341 18.119,1342 12.498,1343 15.845,1344 0.283,1345 0.16,1346 15.845,1347 8.978,1348 13.352,1349 0.178,1350 0.086,1351 13.352,1352 6.459,1353 11.552,1354 0.114,1355 0.045,1356 11.552,1357 4.545,1358 9.816,1359 0.073,1360 0.024,1361 9.816,1362 3.177,1363 0.244,1364 115.186,1365 0.189,1366 33.673,1367 0.425,1368 194,1369 622.036,1370 218.486,1371 574.042,1372 777.04,1373 542,1374 228,1375 555.456,1376 253.461,1377 552.648,1378 817.88,1379 521,1380 6.824}
{0 CHEMBL1669162,1 1.628,2 13.684,3 1.421,4 2.019,5 138.921,6 7.685,7 0.286,8 4.341,9 4.445,10 3.926,11 3.798,12 5.456,13 3.815,14 4.911,15 5.067,16 4.282,17 4.184,18 6.034,19 4.188,20 5.159,21 5.339,22 4.363,23 4.356,24 6.283,25 4.326,26 5.18,27 5.377,28 4.339,29 4.379,30 6.237,31 4.326,32 5.205,33 5.403,34 4.385,35 4.369,36 6.352,37 4.337,38 5.157,39 5.33,40 4.384,41 4.358,42 6.385,43 4.33,44 5.143,45 5.319,46 4.346,47 4.373,48 6.306,49 4.332,50 5.208,51 5.401,52 4.33,53 4.378,54 6.381,55 4.316,56 0.156,57 0.984,58 13.583,59 6.103,60 15.996,61 7.548,62 0.698,63 1.551,64 28.277,65 9.829,66 54.184,67 12.556,68 1.174,69 1.869,70 38.557,71 12.888,72 96.454,73 16.624,74 0.828,75 1.888,76 39.392,77 14.515,78 72.485,79 19.295,80 1.038,81 1.909,82 41.403,83 13.938,84 98.681,85 18.503,86 1.113,87 1.881,88 37.937,89 13.03,90 109.949,91 16.835,92 0.827,93 1.89,94 36.514,95 13.332,96 89.665,97 17.365,98 0.939,99 1.941,100 40.168,101 14.562,102 110.141,103 19.527,104 20,105 58,106 0.256,107 0.592,108 0.749,109 0.817,110 0.851,111 0.851,112 3.668,113 0.895,114 -1.36,115 -1.44,116 -1.5,119 39.7,125 10,135 1,139 1,142 6,143 3,144 3,157 1,158 2,163 1,164 1,165 1,172 8,174 1,175 7,177 1,178 2,180 1,183 10,186 4,187 6,189 1,190 3,192 2,195 9,198 2,199 10,204 1,207 8,211 2,212 12,217 2,220 6,222 1,223 3,224 12,227 2,228 1,229 3,231 1,232 3,234 2,236 1,237 9,240 1,242 4,245 1,247 2,249 3,250 8,252 1,253 1,255 2,260 1,262 4,263 10,265 2,266 4,268 3,273 2,275 2964,276 25.861,277 25.861,278 25.861,279 25.861,280 25.861,281 23.811,282 31.383,283 15.529,284 26.583,285 20.801,286 20.801,287 20.801,288 20.801,289 20.801,290 17.461,291 38.24,292 7.457,293 21.925,294 4.459,295 2.322,296 1.327,297 0.893,298 0.676,299 0.676,300 4.375,306 1134,307 3.873,311 593.023,315 178.917,318 2.033,319 52.976,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 85,331 520,332 4.574,333 3.643,334 6.81,335 4.205,336 3.229,337 4.259,338 2.014,339 11.26,340 3.16,341 4.282,342 3.631,343 6.253,344 3.903,345 2.941,346 3.878,347 1.959,348 9.445,349 2.84,350 4.009,351 3.551,352 6.117,353 3.687,354 2.749,355 3.362,356 1.138,357 8.974,358 2.598,359 3.794,360 3.185,361 5.938,362 3.555,363 2.604,364 3.043,365 0.878,366 8.232,367 2.461,368 3.695,369 3.116,370 5.477,371 3.455,372 2.479,373 2.855,374 0.86,375 7.358,376 2.386,377 3.533,378 2.933,379 5.07,380 3.213,381 2.215,382 2.699,383 0.86,384 5.794,385 2.199,386 3.316,387 2.805,388 4.856,389 3.049,390 2.061,391 2.446,392 0.815,393 5.442,394 2.005,395 3.205,396 2.413,397 4.644,398 2.805,399 1.832,400 2.307,401 0.643,402 5.075,403 1.79,404 3.006,405 2.219,406 4.539,407 2.723,408 1.801,409 2.098,410 0.163,411 4.675,412 1.631,413 2.872,414 2.133,415 4.263,416 2.459,417 1.517,418 1.993,420 3.957,421 1.422,422 2.846,423 2,424 4.138,425 2.394,426 1.432,427 1.932,428 3.415,429 1.373,430 2.605,431 1.787,432 3.804,433 2.253,434 1.368,435 1.592,436 3.079,437 1.196,438 2.426,439 1.403,440 3.569,441 2.164,442 1.196,443 1.416,445 2.977,446 1.146,447 2.21,448 1.383,449 3.478,450 1.952,451 1,452 1.149,454 2.485,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.433,466 0.459,467 0.87,468 0.023,469 45.5,470 1.197,471 19.5,472 0.513,473 26,474 0.684,475 35.462,476 0.933,477 42.567,478 0.626,479 42.296,480 1.113,481 9.49,482 0.25,483 8.985,484 0.236,485 0.08,487 0.333,493 0.819,494 1.44,495 0.746,496 1.219,497 0.615,498 0.997,499 1.111,500 1.071,501 0.935,502 0.958,503 0.622,504 0.902,505 1.104,506 0.842,507 1.062,508 0.893,509 1.009,510 0.951,511 0.841,512 1.06,513 0.878,514 1.069,515 0.674,516 1.003,517 1.015,518 0.987,519 0.882,520 0.924,521 1.049,522 0.88,523 1.054,524 1.028,525 1.033,526 1.009,527 1.391,528 1.016,529 0.975,530 1.141,531 1.041,532 1.137,533 1.205,534 1.108,535 0.81,536 1.186,537 0.986,538 1.209,539 0.688,540 1.157,541 7,542 0.343,543 3.778,544 2.125,545 2.093,546 1.618,547 1.035,548 0.663,549 0.463,550 0.391,551 22706,552 65388,553 2.113,554 44.1,556 27,559 3,564 1.792,565 2,566 3.707,567 0.817,573 110.707,574 1.628,575 3.766,576 4.76,577 5.194,578 5.411,579 5.411,580 3.228,581 4.596,582 5.216,583 3.889,584 2733.93,585 9.218,586 45187.2,591 413.947,592 1.324,593 5.189,594 0.167,595 0.008,596 0.065,597 0.035,598 0.035,599 0.026,600 0.017,601 0.011,602 0.008,603 0.008,604 0.379,605 0.33,606 0.63,607 0.894,608 210.157,609 -0.073,610 -0.196,611 0.056,612 -0.103,613 -0.048,614 -0.007,615 -0.108,616 0.054,617 -0.015,618 0.056,619 0.028,620 0.048,621 -0.054,622 0.215,623 -0.104,624 0.101,625 -0.065,626 0.006,627 0.01,628 -0.063,629 0.063,630 -0.025,631 0.042,632 0.022,633 -0.033,634 0.005,635 0.089,636 0.086,637 -0.027,638 0.115,639 -0.018,640 0.025,641 -0.083,643 -0.106,644 -0.051,645 -0.075,646 -0.077,647 -0.12,648 -0.103,649 -0.111,650 -0.117,651 0.06,652 -0.175,653 -0.046,654 -0.176,655 0.127,656 -0.146,657 2.313,658 5.956,659 0.737,660 46.316,661 1.017,662 1.13,663 0.128,664 0.016,665 0.649,666 3.761,667 4.078,668 4.344,669 4.635,670 4.92,671 5.017,672 5.226,673 5.389,674 5.529,675 5.645,676 7.997,677 0.631,678 522.61,679 3.761,680 5.303,681 6.151,682 7.029,683 7.898,684 8.786,685 9.667,686 10.559,687 11.448,688 12.345,689 5.9,692 2,696 2,704 6,709 6,711 12,716 1,729 2,731 68,733 16,734 2,735 42,737 72,738 27,739 12,740 6,741 6,742 3,746 5,747 6,761 17,762 10,766 4,771 3,773 1,775 4,781 30,782 11,783 3,784 11,790 4,794 0.8,795 7,812 5,816 1,825 1,826 1,831 1,836 2,839 2,840 4,848 38,849 1,854 10,855 1,856 4,859 2,870 10.3,873 3,874 2,875 2,877 19,878 11.983,879 8.333,880 3.987,881 2.941,882 1.344,883 0.979,884 8.489,885 11.499,886 3.97,887 4.489,888 4.99,889 5.548,890 6.112,891 6.443,892 6.905,893 7.325,894 7.707,895 8.036,896 1,897 61,898 14.171,900 6.142,901 7.899,902 26.679,904 21.918,905 2.399,906 91.167,910 317.82,911 141.982,912 57.157,914 119.434,917 141.982,918 437.254,919 57.157,921 84.398,922 66.334,923 111.977,924 55.863,926 317.82,928 317.82,929 199.138,930 119.434,933 317.82,934 97.435,935 22,937 90.647,938 99.015,939 9.476,941 317.82,942 176.591,943 141.982,946 317.82,947 75.648,948 72.582,949 18.011,950 152.332,951 317.82,952 176.591,953 141.982,955 0.576,956 0.326,957 0.182,958 0.106,959 27,960 12,961 0.111,962 8,963 1,964 1.071,965 4.754,966 379.398,967 0.071,968 28,969 191.421,974 26.501,975 12.172,976 6.496,978 176.591,979 10.55,984 2.922,986 50.908,987 636.393,988 52,993 37.13,995 1.506,997 -0.524,999 69.185,1000 76.857,1001 0.267,1002 0.619,1003 0.782,1004 0.853,1005 0.889,1006 0.889,1007 5.226,1008 1.832,1009 6.125,1010 5.442,1011 4.762,1012 5.176,1013 3.136,1014 6.925,1015 4.671,1016 6.398,1017 1.801,1018 7.671,1019 5.075,1020 4.29,1021 4.956,1022 2.262,1023 7.796,1024 4.208,1025 7.691,1026 1.517,1027 9.319,1028 4.675,1029 6.337,1030 7.252,1031 3.933,1032 10.919,1033 6.174,1034 9.015,1035 1.432,1036 11.029,1037 3.957,1038 6.686,1039 7.859,1040 3.829,1041 12.649,1042 6.533,1043 10.374,1044 1.368,1045 12.78,1046 3.415,1047 8.195,1048 9.661,1049 5.065,1050 15.285,1051 7.975,1052 11.757,1053 1.196,1054 14.56,1055 3.079,1056 8.942,1057 10.667,1058 5.324,1059 17.38,1060 8.724,1061 13.16,1062 1,1063 16.362,1064 2.977,1065 10.223,1066 12.264,1067 6.33,1068 19.85,1069 9.957,1070 3.229,1071 1,1072 18.179,1073 2.485,1074 11.17,1075 13.474,1076 6.771,1077 22.108,1078 10.897,1079 2.941,1080 11.26,1081 20.01,1082 2.136,1083 12.357,1084 14.98,1085 7.649,1086 24.524,1087 12.049,1088 2.749,1089 9.445,1090 21.851,1091 4.259,1092 13.403,1093 16.295,1094 8.19,1095 26.858,1096 13.083,1097 2.604,1098 8.974,1099 23.701,1100 3.878,1101 14.555,1102 17.76,1103 8.994,1104 29.26,1105 14.209,1106 2.479,1107 8.232,1108 25.557,1109 3.362,1110 15.65,1111 19.13,1112 9.592,1113 31.632,1114 15.291,1115 2.215,1116 7.358,1117 27.42,1118 3.043,1119 16.793,1120 20.576,1121 10.353,1122 34.034,1123 16.412,1124 2.061,1125 5.794,1126 29.288,1127 2.855,1128 17.914,1129 21.976,1130 10.986,1131 36.426,1132 17.518,1133 21356,1134 36389,1135 28.433,1136 44.102,1137 63.012,1138 65.701,1139 63.554,1140 62.314,1141 62.423,1142 75.923,1143 18.66,1144 176.574,1145 59.445,1146 5.574,1147 5.643,1148 6.612,1149 5.311,1150 5.229,1151 7.259,1152 3.615,1153 18.658,1154 5.16,1155 16.867,1156 1.5,1157 1.564,1158 1.513,1159 1.484,1160 1.486,1161 1.808,1162 0.444,1163 4.204,1164 1.415,1165 4.064,1166 4.079,1167 4.029,1168 3.99,1169 7.438,1170 3.996,1171 3.876,1172 3.907,1173 3.829,1174 3.754,1175 7.429,1176 3.767,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 7.426,1182 3.614,1183 3.741,1184 3.785,1185 3.64,1186 3.552,1187 4.935,1188 3.566,1189 3.562,1190 3.6,1191 3.48,1192 3.302,1193 4.876,1194 3.337,1195 3.465,1196 3.493,1197 3.387,1198 3.277,1199 4.754,1200 3.297,1201 3.394,1202 3.422,1203 3.305,1204 3.193,1205 4.626,1206 3.218,1207 3.111,1208 3.206,1209 2.971,1210 2.941,1211 4.608,1212 2.91,1213 0.109,1214 0.087,1215 0.162,1216 0.1,1217 0.077,1218 4.574,1219 0.101,1220 3.643,1221 0.048,1222 6.81,1223 0.268,1224 4.205,1225 0.075,1226 3.229,1227 4.259,1228 2.014,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.074,1234 2.095,1235 1.237,1236 2.086,1237 1.82,1238 1.799,1239 1.952,1240 2.002,1241 1.226,1242 1.988,1243 1.728,1244 1.67,1245 1.929,1246 1.961,1247 1.186,1248 1.954,1249 1.69,1250 1.639,1251 1.866,1252 1.884,1253 0.987,1254 1.877,1255 1.439,1256 1.403,1257 1.635,1258 1.736,1259 0.825,1260 1.704,1261 1.387,1262 1.359,1263 1.56,1264 1.616,1265 0.825,1266 1.596,1267 1.33,1268 1.292,1269 1.518,1270 1.532,1271 0.74,1272 1.528,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.715,1278 1.429,1279 4.443,1281 5.759,1283 7.273,1285 8.881,1287 10.543,1293 5.31,1295 4.742,1296 2.868,1297 22.679,1300 3.983,1305 42.938,1306 110.707,1307 256.083,1308 323.683,1309 353.193,1310 367.947,1311 367.947,1312 83.358,1313 8.558,1314 136.57,1315 136.57,1316 30,1317 12.871,1318 4.087,1319 3.459,1320 58.836,1321 180,1322 200,1323 0.156,1324 258.674,1325 471.19,1326 622.924,1327 69833,1329 26.485,1330 0.697,1331 0.551,1332 26.485,1333 20.942,1334 18.474,1335 0.44,1336 0.298,1337 12.26,1338 17.431,1339 12.09,1340 9.847,1341 18.474,1342 12.528,1343 16.674,1344 0.287,1345 0.157,1346 16.674,1347 9.133,1348 13.538,1349 0.178,1350 0.085,1351 13.538,1352 6.472,1353 11.633,1354 0.114,1355 0.045,1356 11.633,1357 4.545,1358 9.936,1359 0.073,1360 0.023,1361 9.936,1362 3.181,1363 0.244,1364 118.187,1365 0.188,1366 34.355,1367 0.428,1368 200,1369 683.084,1370 227.727,1371 628.585,1372 839.31,1373 590,1374 234,1375 591.937,1376 261.954,1377 587.987,1378 866.14,1379 553,1380 5.959}
{0 CHEMBL1669163,1 1.566,2 13.711,3 2.223,4 4.94,5 141.907,6 7.375,7 0.286,8 4.375,9 4.478,10 3.934,11 3.826,12 5.433,13 3.834,14 4.963,15 5.127,16 4.266,17 4.205,18 5.992,19 4.2,20 5.18,21 5.366,22 4.357,23 4.381,24 6.214,25 4.34,26 5.213,27 5.415,28 4.346,29 4.409,30 6.239,31 4.346,32 5.257,33 5.464,34 4.375,35 4.393,36 6.343,37 4.349,38 5.18,39 5.358,40 4.367,41 4.384,42 6.323,43 4.343,44 5.175,45 5.352,46 4.346,47 4.416,48 6.247,49 4.36,50 5.267,51 5.466,52 4.317,53 4.437,54 6.287,55 4.357,56 0.1,57 0.996,58 15.145,59 6.668,60 8.521,61 8.432,62 0.703,63 1.584,64 31.699,65 10.394,66 42.468,67 13.574,68 1.049,69 1.906,70 40.467,71 13.53,72 63.891,73 17.951,74 0.695,75 1.951,76 41.373,77 15.198,78 59.794,79 20.607,80 1.021,81 1.964,82 44.963,83 14.698,84 90.597,85 19.889,86 1.026,87 1.904,88 40.081,89 13.651,90 89.917,91 18.074,92 0.704,93 1.937,94 38.771,95 14.502,96 68.665,97 19.192,98 0.865,99 2.044,100 43.752,101 15.765,102 76.511,103 21.384,104 14,105 57,106 0.245,107 0.547,108 0.724,109 0.818,110 0.85,111 0.85,112 3.668,113 0.92,114 -1.95,115 -2,116 -2,119 39.4,124 1,125 11,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 8,174 1,175 7,178 1,180 1,183 10,186 4,187 6,190 2,192 2,195 9,198 2,199 10,204 1,207 8,211 2,212 12,217 1,220 6,223 3,224 12,227 2,229 1,232 3,236 1,237 9,240 1,242 2,245 1,249 3,250 8,255 1,262 4,263 10,266 2,268 1,275 2996,276 26.283,277 26.283,278 26.283,279 26.283,280 26.283,281 24.441,282 32.519,283 16.05,284 27.25,285 20.784,286 20.784,287 20.784,288 20.784,289 20.784,290 17.764,291 39.571,292 7.659,293 22.189,294 4.584,295 2.652,296 1.522,297 0.923,298 0.715,299 0.715,300 4.377,305 1,306 1136,307 3.742,311 593.697,315 179.162,318 2.057,319 46.199,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.83,330 84.5,331 521,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.281,342 3.63,343 6.253,344 3.902,345 2.939,346 3.878,347 1.138,348 9.443,349 2.839,350 4.008,351 3.188,352 6.117,353 3.686,354 2.749,355 3.361,356 0.86,357 8.973,358 2.597,359 3.794,360 3.135,361 5.938,362 3.554,363 2.603,364 3.042,365 0.86,366 8.231,367 2.461,368 3.689,369 2.946,370 5.477,371 3.451,372 2.476,373 2.851,374 0.86,375 7.357,376 2.381,377 3.317,378 2.807,379 5.07,380 3.066,381 2.096,382 2.448,383 0.86,384 5.784,385 2.011,386 3.214,387 2.421,388 4.841,389 2.818,390 1.839,391 2.316,392 0.815,393 5.371,394 1.798,395 3.008,396 2.301,397 4.539,398 2.725,399 1.822,400 2.1,401 0.643,402 4.675,403 1.632,404 2.923,405 2.194,406 4.314,407 2.622,408 1.703,409 2.035,410 0.163,411 4.136,412 1.547,413 2.847,414 2.13,415 4.149,416 2.394,417 1.445,418 1.933,420 3.429,421 1.373,422 2.605,423 1.919,424 3.804,425 2.346,426 1.431,427 1.604,428 3.088,429 1.299,430 2.596,431 1.787,432 3.588,433 2.25,434 1.356,435 1.592,436 2.987,437 1.195,438 2.426,439 1.403,440 3.568,441 2.164,442 1.196,443 1.416,445 2.943,446 1.146,447 2.21,448 1.381,449 3.478,450 1.952,451 1,452 1.149,454 2.485,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.533,466 0.461,467 0.725,468 0.019,469 44,470 1.158,471 18,472 0.474,473 26,474 0.684,475 36.68,476 0.965,477 43.067,478 0.607,479 40.086,480 1.055,481 9.211,482 0.242,483 9.407,484 0.248,485 0.067,487 0.302,493 0.828,494 1.522,495 0.768,496 1.305,497 0.591,498 1.064,499 1.3,500 1.019,501 1,502 0.89,503 0.779,504 0.868,505 1.1,506 0.873,507 1.035,508 0.89,509 1.005,510 0.933,511 0.809,512 1.116,513 0.877,514 1.105,515 0.809,516 1.025,517 1.09,518 0.944,519 0.903,520 0.878,521 1.283,522 0.852,523 1.076,524 1.022,525 1.046,526 0.998,527 1.593,528 1.01,529 0.936,530 1.18,531 1.033,532 1.175,533 1.218,534 1.134,535 0.859,536 1.17,537 1.05,538 1.201,539 0.8,540 1.174,541 6,542 0.272,543 3.556,544 2.125,545 2.013,546 1.507,547 1.013,548 0.557,549 0.459,550 0.332,551 22866,552 61311,553 2.129,554 46.5,556 32,559 1,564 1.792,565 2.036,566 3.727,567 -0.348,573 111.155,574 1.566,575 3.498,576 4.628,577 5.227,578 5.435,579 5.435,580 3.242,581 4.649,582 5.215,583 3.898,584 2740.09,585 9.218,586 45507.2,591 436.632,592 1.226,593 5.198,594 0.143,595 0.006,596 0.062,597 0.035,598 0.034,599 0.024,600 0.017,601 0.009,602 0.008,603 0.007,604 0.345,605 0.33,606 0.63,607 0.98,608 210.408,609 -0.041,610 -0.279,611 0.077,612 -0.161,613 -0.015,614 -0.038,615 -0.175,616 0.1,617 -0.033,618 0.112,619 -0.046,620 0.08,621 -0.046,622 0.2,623 -0.065,624 0.108,625 -0.052,626 0.032,627 0.031,628 -0.095,629 0.064,630 -0.063,631 0.067,632 -0.004,633 -0.044,634 0.05,635 0.087,636 0.115,637 -0.033,638 0.13,639 -0.017,640 0.047,641 -0.082,642 0.014,643 -0.115,644 -0.039,645 -0.044,646 -0.107,647 -0.105,648 -0.121,649 -0.089,650 -0.126,651 0.019,652 -0.141,653 -0.106,654 -0.169,655 0.014,656 -0.166,657 1.789,658 5.99,659 0.737,660 47.291,661 1.012,662 1.129,663 0.718,664 0.515,665 0.643,666 3.761,667 4.06,668 4.344,669 4.635,670 4.913,671 5.011,672 5.22,673 5.38,674 5.525,675 5.638,676 8.054,677 0.619,678 523.64,679 3.761,680 5.293,681 6.142,682 7.017,683 7.887,684 8.773,685 9.655,686 10.547,687 11.436,688 12.333,689 4.2,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 71,733 15,734 2,735 42,737 75,738 28,739 12,740 6,741 6,742 3,746 5,747 6,761 16,762 12,766 3,771 2,773 1,775 3,781 33,782 10,783 1,784 10,790 3,794 0.8,795 7,812 5,816 1,826 1,831 1,836 2,839 3,840 4,844 1,848 38,854 11,855 1,856 5,859 2,870 9.9,873 2,874 3,875 2,877 18.667,878 12.9,879 8.5,880 4.237,881 2.903,882 1.339,883 0.966,884 9.064,885 11.461,886 3.951,887 4.454,888 4.984,889 5.544,890 6.101,891 6.429,892 6.89,893 7.304,894 7.685,895 8.015,896 1,897 61,898 14.166,900 6.031,901 7.75,902 27.085,904 22.086,905 2.25,906 85.5,910 376.675,911 152.753,912 24.259,914 105.289,917 152.753,918 481.965,919 24.259,920 10.883,921 56.094,922 66.334,923 93.128,924 55.863,926 376.675,928 376.675,929 177.012,930 105.289,933 376.675,934 72.29,935 33,937 62.342,938 105.194,939 9.476,941 376.675,942 129.549,943 152.753,946 376.675,947 75.536,948 83.465,949 18.011,950 105.289,951 376.675,952 129.549,953 152.753,955 0.567,956 0.329,957 0.186,958 0.106,959 26,960 11,961 0.12,962 9,963 1,964 1.071,965 4.789,966 377.41,967 0.071,968 28,969 191.421,974 26.813,975 12.846,976 6.633,978 129.549,979 11.09,984 3.657,986 18.011,987 658.977,988 51,993 25.771,995 1.545,997 0.308,999 71.851,1000 80.189,1001 0.255,1002 0.569,1003 0.753,1004 0.85,1005 0.884,1006 0.884,1007 5.198,1008 1.822,1009 6.103,1010 5.371,1011 4.745,1012 5.142,1013 2.868,1014 6.901,1015 4.638,1016 6.355,1017 1.703,1018 7.644,1019 4.675,1020 4.205,1021 4.868,1022 1.738,1023 7.766,1024 4.107,1025 7.641,1026 1.445,1027 9.291,1028 4.136,1029 6.312,1030 7.216,1031 3.364,1032 10.905,1033 6.131,1034 8.963,1035 1.431,1036 11.003,1037 3.429,1038 6.635,1039 7.812,1040 3.158,1041 12.64,1042 6.468,1043 10.323,1044 1.356,1045 12.757,1046 3.088,1047 8.17,1048 9.636,1049 4.321,1050 15.28,1051 7.938,1052 11.71,1053 1.196,1054 14.541,1055 2.987,1056 8.912,1057 10.644,1058 4.581,1059 17.378,1060 8.685,1061 13.117,1062 1,1063 16.347,1064 2.943,1065 10.205,1066 12.251,1067 5.511,1068 19.848,1069 9.93,1070 3.229,1071 1,1072 18.168,1073 2.485,1074 11.153,1075 13.463,1076 5.978,1077 22.107,1078 10.874,1079 2.939,1080 11.26,1081 20.001,1082 2.136,1083 12.345,1084 14.973,1085 6.79,1086 24.523,1087 12.033,1088 2.749,1089 9.443,1090 21.844,1091 4.259,1092 13.392,1093 16.29,1094 7.355,1095 26.858,1096 13.07,1097 2.603,1098 8.973,1099 23.695,1100 3.878,1101 14.547,1102 17.756,1103 8.104,1104 29.26,1105 14.199,1106 2.476,1107 8.231,1108 25.553,1109 3.361,1110 15.644,1111 19.127,1112 8.718,1113 31.632,1114 15.283,1115 2.096,1116 7.357,1117 27.417,1118 3.042,1119 16.787,1120 20.575,1121 9.433,1122 34.034,1123 16.406,1124 1.839,1125 5.784,1126 29.286,1127 2.851,1128 17.91,1129 21.975,1130 10.073,1131 36.426,1132 17.513,1133 21504,1134 35357,1135 28.72,1136 45.62,1137 62.226,1138 64.666,1139 63.103,1140 61.629,1141 61.724,1142 74.129,1143 16.315,1144 172.7,1145 58.178,1146 5.574,1147 5.642,1148 6.718,1149 5.312,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 14.662,1156 1.482,1157 1.54,1158 1.502,1159 1.467,1160 1.47,1161 1.765,1162 0.388,1163 4.112,1164 1.385,1165 4.065,1166 4.079,1167 4.029,1168 3.99,1169 7.43,1170 3.996,1171 3.876,1172 3.907,1173 3.827,1174 3.754,1175 7.426,1176 3.767,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 4.927,1182 3.614,1183 3.741,1184 3.785,1185 3.638,1186 3.552,1187 4.783,1188 3.566,1189 3.549,1190 3.593,1191 3.403,1192 3.305,1193 4.636,1194 3.319,1195 3.465,1196 3.493,1197 3.387,1198 3.279,1199 4.621,1200 3.294,1201 3.395,1202 3.423,1203 3.302,1204 3.193,1205 4.593,1206 3.218,1207 3.135,1208 3.21,1209 2.983,1210 2.941,1211 4.385,1212 2.91,1213 0.109,1214 0.087,1215 0.162,1216 0.1,1217 0.077,1218 4.574,1219 0.101,1220 3.642,1221 0.047,1222 6.81,1223 0.268,1224 4.205,1225 0.075,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.075,1234 2.095,1235 1.237,1236 2.087,1237 1.821,1238 1.799,1239 1.952,1240 2.002,1241 1.227,1242 1.988,1243 1.728,1244 1.67,1245 1.93,1246 1.961,1247 1.187,1248 1.954,1249 1.69,1250 1.639,1251 1.869,1252 1.884,1253 1.013,1254 1.879,1255 1.476,1256 1.427,1257 1.752,1258 1.754,1259 0.946,1260 1.752,1261 1.388,1262 1.36,1263 1.56,1264 1.617,1265 0.825,1266 1.596,1267 1.33,1268 1.292,1269 1.521,1270 1.534,1271 0.825,1272 1.53,1273 1.153,1274 1.064,1275 1.513,1276 1.411,1277 0.738,1278 1.444,1279 4.443,1281 5.746,1283 7.256,1285 8.865,1287 10.529,1289 1.606,1295 6.194,1296 2.983,1297 28.266,1300 4.08,1305 43.97,1306 111.155,1307 248.355,1308 328.593,1309 371.122,1310 385.877,1311 385.877,1312 76.49,1313 8.558,1314 102.71,1315 102.71,1316 30,1317 12.859,1318 4,1319 3.322,1320 58.836,1321 181,1322 200,1323 0.154,1324 264.399,1325 480.13,1326 636.894,1327 70036,1329 26.321,1330 0.693,1331 0.568,1332 26.321,1333 21.572,1334 18.619,1335 0.443,1336 0.307,1337 12.586,1338 17.516,1339 12.373,1340 10.094,1341 18.619,1342 12.879,1343 16.199,1344 0.284,1345 0.162,1346 16.199,1347 9.219,1348 13.602,1349 0.179,1350 0.087,1351 13.602,1352 6.647,1353 11.742,1354 0.115,1355 0.045,1356 11.742,1357 4.631,1358 9.883,1359 0.073,1360 0.024,1361 9.883,1362 3.216,1363 0.243,1364 119.393,1365 0.187,1366 34.402,1367 0.424,1368 198,1369 661.772,1370 224.7,1371 602.547,1372 809.71,1373 570,1374 232,1375 568.183,1376 259.565,1377 565.553,1378 835.1,1379 531,1380 5.824}
{0 CHEMBL1669164,1 1.538,2 13.854,3 2.953,4 8.721,5 156.423,6 7.123,7 0.261,8 4.477,9 4.59,10 4.014,11 3.946,12 5.474,13 3.94,14 5.085,15 5.263,16 4.362,17 4.353,18 6.054,19 4.328,20 5.344,21 5.557,22 4.413,23 4.517,24 6.289,25 4.447,26 5.345,27 5.568,28 4.399,29 4.511,30 6.305,31 4.428,32 5.36,33 5.581,34 4.426,35 4.475,36 6.398,37 4.418,38 5.268,39 5.461,40 4.418,41 4.465,42 6.361,43 4.415,44 5.246,45 5.426,46 4.436,47 4.53,48 6.28,49 4.466,50 5.382,51 5.585,52 4.441,53 4.596,54 6.343,55 4.507,56 0.046,57 1.143,58 17.668,59 7.411,60 7.306,61 9.848,62 0.567,63 1.874,64 36.191,65 11.828,66 37.718,67 16.414,68 0.961,69 2.243,70 48.782,71 16.027,72 63.774,73 22.34,74 0.624,75 2.196,76 48.399,77 17.433,78 63.072,79 24.258,80 0.938,81 2.162,82 50.569,83 16.3,84 91.778,85 22.591,86 0.994,87 2.092,88 45.045,89 14.823,90 92.641,91 20.199,92 0.564,93 2.173,94 41.978,95 15.657,96 65.417,97 21.391,98 0.69,99 2.403,100 49.099,101 17.787,102 68.465,103 24.824,104 5,105 63,106 0.235,107 0.522,108 0.698,109 0.797,110 0.836,111 0.836,112 3.742,113 0.954,114 -2.53,115 -2.55,116 -2.49,119 39.2,121 2,125 13,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 9,174 1,175 9,178 1,180 1,183 10,186 4,187 6,190 2,192 2,195 9,198 2,199 10,204 1,207 8,211 2,212 14,217 1,220 6,223 3,224 12,227 2,229 1,232 3,236 1,237 9,240 1,242 2,245 3,249 3,250 8,255 3,258 4,262 4,263 10,266 2,268 1,271 4,275 3828,276 28.43,277 28.43,278 28.43,279 28.43,280 28.43,281 26.587,282 37.007,283 17.168,284 29.314,285 22.801,286 22.801,287 22.801,288 22.801,289 22.801,290 19.781,291 46.006,292 8.235,293 24.171,294 4.766,295 2.891,296 1.741,297 1.092,298 0.835,299 0.835,300 4.459,305 1,306 1259,307 3.674,310 118.828,311 644.276,315 195.102,318 2.025,319 45.376,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 90,331 568,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.281,342 3.63,343 6.253,344 3.902,345 2.94,346 3.878,347 1.138,348 9.443,349 2.839,350 4.008,351 3.188,352 6.117,353 3.686,354 2.749,355 3.361,356 0.86,357 8.973,358 2.598,359 3.794,360 3.136,361 5.938,362 3.555,363 2.604,364 3.042,365 0.86,366 8.231,367 2.461,368 3.69,369 2.953,370 5.477,371 3.474,372 2.541,373 2.851,374 0.86,375 7.358,376 2.385,377 3.539,378 2.843,379 5.352,380 3.441,381 2.472,382 2.542,383 0.815,384 6.996,385 2.348,386 3.317,387 2.803,388 5.07,389 3.063,390 2.091,391 2.447,392 0.8,393 5.783,394 2.011,395 3.212,396 2.415,397 4.84,398 2.814,399 1.834,400 2.313,401 0.643,402 5.368,403 1.796,404 3.007,405 2.225,406 4.539,407 2.724,408 1.814,409 2.099,410 0.163,411 4.675,412 1.632,413 2.902,414 2.135,415 4.31,416 2.558,417 1.62,418 2.021,420 4.113,421 1.509,422 2.847,423 2.048,424 4.148,425 2.394,426 1.433,427 1.933,428 3.426,429 1.373,430 2.605,431 1.787,432 3.804,433 2.315,434 1.393,435 1.592,436 3.084,437 1.299,438 2.428,439 1.467,440 3.593,441 2.25,442 1.32,443 1.423,445 2.981,446 1.196,447 2.424,448 1.403,449 3.569,450 2.164,451 1.196,452 1.416,454 2.924,455 1.146,456 2.21,457 1.368,458 3.478,459 1.952,460 1,461 1.149,463 2.485,464 0.946,465 19.1,466 0.466,467 0.794,468 0.019,469 46.25,470 1.128,471 18,472 0.439,473 28.25,474 0.689,475 42.653,476 1.04,477 46.3,478 0.586,479 41.436,480 1.011,481 9.218,482 0.225,483 10.918,484 0.266,485 0.035,487 0.298,493 0.812,494 1.542,495 0.798,496 1.286,497 0.564,498 1.072,499 1.212,500 1.094,501 1.01,502 0.964,503 0.694,504 0.935,505 1.102,506 0.868,507 1.044,508 0.915,509 0.943,510 0.954,511 0.844,512 1.073,513 0.865,514 1.077,515 0.8,516 0.995,517 1.205,518 0.943,519 0.905,520 0.879,521 1.321,522 0.845,523 1.233,524 0.948,525 1.042,526 0.911,527 1.673,528 0.936,529 0.93,530 1.202,531 1.029,532 1.164,533 1.242,534 1.122,535 0.864,536 1.209,537 1.063,538 1.204,539 0.821,540 1.177,541 6.5,542 0.296,543 3.778,544 2.222,545 1.978,546 1.531,547 1.039,548 0.517,549 0.511,550 0.369,551 29291,552 69444,553 2.177,554 48.1,556 33,559 1,561 4,564 1.812,565 2.103,566 3.723,567 -0.376,573 121.488,574 1.538,575 3.413,576 4.563,577 5.212,578 5.468,579 5.468,580 3.22,581 4.967,582 5.325,583 3.929,584 3222.04,585 9.448,586 57210.2,591 497.999,592 1.128,593 5.316,594 0.141,595 0.005,596 0.06,597 0.035,598 0.031,599 0.024,600 0.016,601 0.008,602 0.008,603 0.006,604 0.334,605 0.33,606 0.63,607 0.343,608 232.276,609 -0.024,610 -0.281,611 0.084,612 -0.136,613 0.004,614 -0.026,615 -0.126,616 0.056,617 -0.036,618 0.045,619 -0.001,620 0.029,621 -0.039,622 0.183,623 -0.055,624 0.073,625 -0.021,626 0.017,627 0.056,628 -0.085,629 0.099,630 -0.044,631 0.09,632 0.024,633 -0.029,634 0.028,635 0.107,636 0.108,637 -0.011,638 0.131,639 -0.032,640 0.105,641 -0.042,642 0.091,643 -0.105,644 0.032,645 -0.029,646 -0.098,647 -0.091,648 -0.098,649 -0.076,650 -0.105,651 0.003,652 -0.147,653 -0.118,654 -0.162,655 -0.018,656 -0.164,657 1.754,658 6.092,659 0.805,660 53.789,661 1.005,662 1.13,663 1.296,664 1.68,665 0.642,666 3.85,667 4.159,668 4.443,669 4.727,670 4.963,671 5.063,672 5.278,673 5.451,674 5.617,675 5.749,676 8.41,677 0.612,678 562.73,679 3.85,680 5.389,681 6.24,682 7.114,683 7.982,684 8.863,685 9.741,686 10.628,687 11.512,688 12.404,689 5.1,692 3,696 1,704 6,709 6,711 12,716 1,729 2,731 79,733 15,734 2,735 46,737 84,738 31,739 12,740 6,741 6,742 3,746 6,747 7,755 2,758 2,761 16,762 15,766 3,771 2,773 1,775 3,781 38,782 10,783 1,784 10,790 4,794 0.833,795 6,808 1,811 1,812 5,816 1,826 1,831 1,836 3,839 2,840 5,848 41,854 15,855 1,856 4,859 3,870 7.6,873 2,874 2,875 2,877 19.5,878 13.933,879 9,880 5.038,881 2.901,882 1.33,883 0.986,884 9.309,885 11.704,886 4.025,887 4.522,888 5.037,889 5.583,890 6.116,891 6.443,892 6.906,893 7.324,894 7.712,895 8.051,896 1,897 64,898 15.337,900 6.617,901 7.646,902 29.816,904 25.004,905 2.146,906 88,910 435.531,911 148.663,912 27.384,914 94.289,917 148.663,918 529.82,919 27.384,921 62.887,922 66.334,923 82.128,924 58.988,926 435.531,928 435.531,929 176.047,930 94.289,933 388.446,934 119.374,935 22,937 72.26,938 94.311,939 9.476,941 435.531,942 121.673,943 148.663,946 435.531,947 82.33,948 75.707,949 18.011,950 94.289,951 435.531,952 121.673,953 148.663,955 0.573,956 0.334,957 0.188,958 0.1,959 30,960 12,961 0.107,962 9,963 1,964 1.061,965 5.108,966 423.989,967 0.061,968 33,969 207.66,974 28.346,975 13.465,976 6.999,978 121.673,979 11.365,984 3.933,986 18.011,987 705.867,988 55,993 26.042,995 1.567,997 0.381,999 79.392,1000 89.308,1001 0.244,1002 0.541,1003 0.724,1004 0.827,1005 0.867,1006 0.867,1007 5.283,1008 1.834,1009 6.201,1010 5.783,1011 4.844,1012 5.209,1013 2.838,1014 6.991,1015 4.742,1016 6.432,1017 1.814,1018 7.738,1019 5.368,1020 4.29,1021 4.913,1022 1.803,1023 7.832,1024 4.176,1025 7.714,1026 1.62,1027 9.377,1028 4.675,1029 6.409,1030 7.256,1031 3.342,1032 10.963,1033 6.226,1034 9.029,1035 1.433,1036 11.081,1037 4.113,1038 6.723,1039 7.84,1040 3.171,1041 12.681,1042 6.536,1043 10.383,1044 1.393,1045 12.827,1046 3.426,1047 8.255,1048 9.656,1049 4.314,1050 15.311,1051 8.011,1052 11.763,1053 1.32,1054 14.603,1055 3.084,1056 8.985,1057 10.657,1058 4.583,1059 17.398,1060 8.737,1061 13.164,1062 1.196,1063 16.4,1064 2.981,1065 10.272,1066 12.26,1067 5.509,1068 19.863,1069 9.981,1070 3.229,1071 1,1072 18.214,1073 2.924,1074 11.208,1075 13.469,1076 5.979,1077 22.117,1078 10.911,1079 2.94,1080 11.26,1081 20.04,1082 2.485,1083 12.394,1084 14.977,1085 6.789,1086 24.53,1087 12.065,1088 2.749,1089 9.443,1090 21.877,1091 4.259,1092 13.433,1093 16.292,1094 7.355,1095 26.862,1096 13.094,1097 2.604,1098 8.973,1099 23.723,1100 3.878,1101 14.582,1102 17.758,1103 8.104,1104 29.263,1105 14.22,1106 2.541,1107 8.231,1108 25.577,1109 3.361,1110 15.672,1111 19.128,1112 8.718,1113 31.634,1114 15.298,1115 2.472,1116 7.358,1117 27.437,1118 3.042,1119 16.812,1120 20.575,1121 9.433,1122 34.035,1123 16.418,1124 2.091,1125 6.996,1126 29.302,1127 2.851,1128 17.929,1129 21.975,1130 10.073,1131 36.427,1132 17.522,1133 26905,1134 41653,1135 31.898,1136 50.694,1137 68.459,1138 70.738,1139 68.572,1140 68.044,1141 68.052,1142 80.454,1143 16.195,1144 190.895,1145 64.483,1146 5.574,1147 5.642,1148 6.612,1149 5.312,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 12.282,1156 1.488,1157 1.538,1158 1.491,1159 1.479,1160 1.479,1161 1.749,1162 0.352,1163 4.15,1164 1.402,1165 4.068,1166 4.084,1167 4.03,1168 3.992,1169 7.43,1170 3.998,1171 3.886,1172 3.932,1173 3.83,1174 3.756,1175 7.426,1176 3.769,1177 3.841,1178 3.895,1179 3.719,1180 3.682,1181 4.924,1182 3.68,1183 3.806,1184 3.86,1185 3.698,1186 3.593,1187 4.771,1188 3.61,1189 3.736,1190 3.781,1191 3.634,1192 3.551,1193 4.627,1194 3.564,1195 3.465,1196 3.494,1197 3.388,1198 3.287,1199 4.61,1200 3.302,1201 3.421,1202 3.468,1203 3.319,1204 3.204,1205 4.41,1206 3.223,1207 3.37,1208 3.414,1209 3.215,1210 3.19,1211 4.358,1212 3.19,1213 0.099,1214 0.079,1215 0.148,1216 0.091,1217 0.07,1218 4.574,1219 0.093,1220 3.642,1221 0.043,1222 6.81,1223 0.245,1224 4.205,1225 0.069,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.075,1234 2.096,1235 1.238,1236 2.087,1237 1.821,1238 1.8,1239 1.952,1240 2.003,1241 1.227,1242 1.988,1243 1.728,1244 1.67,1245 1.93,1246 1.962,1247 1.211,1248 1.955,1249 1.691,1250 1.639,1251 1.875,1252 1.891,1253 1.189,1254 1.887,1255 1.589,1256 1.515,1257 1.86,1258 1.819,1259 1.141,1260 1.823,1261 1.577,1262 1.507,1263 1.817,1264 1.751,1265 0.981,1266 1.793,1267 1.389,1268 1.362,1269 1.56,1270 1.618,1271 0.825,1272 1.597,1273 1.331,1274 1.293,1275 1.522,1276 1.537,1277 0.825,1278 1.532,1279 4.533,1281 5.844,1282 2.398,1283 7.351,1284 4.443,1285 8.951,1286 6.26,1287 10.603,1295 11.566,1296 3.061,1297 23.557,1300 6.527,1305 48.33,1306 121.488,1307 269.615,1308 360.457,1309 411.734,1310 431.999,1311 431.999,1312 77.904,1313 8.803,1314 96.72,1315 96.72,1316 35,1317 12.934,1318 4,1319 3.322,1320 59.04,1321 202,1322 220,1323 0.136,1324 288.581,1325 521.88,1326 695.897,1327 94359,1329 28.02,1330 0.683,1331 0.572,1332 28.02,1333 23.439,1334 20.136,1335 0.438,1336 0.318,1337 14.354,1338 19.094,1339 14.154,1340 11.521,1341 20.136,1342 14.63,1343 17.785,1344 0.282,1345 0.171,1346 17.785,1347 10.775,1348 15.085,1349 0.18,1350 0.095,1351 15.085,1352 7.966,1353 13.053,1354 0.117,1355 0.051,1356 13.053,1357 5.687,1358 10.484,1359 0.074,1360 0.026,1361 10.484,1362 3.65,1363 0.213,1364 127.904,1365 0.177,1366 36.591,1367 0.373,1368 218,1369 657.681,1370 244.568,1371 605.885,1372 824.37,1373 574,1374 256,1375 591.569,1376 284.015,1377 587.396,1378 871.18,1379 555,1380 5.357}
{0 CHEMBL1669165,1 1.52,2 13.718,3 3.63,4 13.176,5 147.406,6 7.212,7 0.273,8 4.415,9 4.522,10 3.963,11 3.907,12 5.421,13 3.899,14 5.009,15 5.177,16 4.296,17 4.297,18 5.992,19 4.268,20 5.263,21 5.469,22 4.375,23 4.447,24 6.234,25 4.387,26 5.271,27 5.484,28 4.359,29 4.44,30 6.267,31 4.373,32 5.258,33 5.463,34 4.392,35 4.434,36 6.332,37 4.385,38 5.211,39 5.388,40 4.398,41 4.458,42 6.322,43 4.405,44 5.242,45 5.43,46 4.381,47 4.511,48 6.263,49 4.437,50 5.332,51 5.541,52 4.361,53 4.538,54 6.281,55 4.442,56 0.047,57 1.051,58 16.189,59 7.176,60 7.265,61 9.228,62 0.505,63 1.72,64 32.939,65 11.61,66 36.762,67 15.457,68 0.834,69 2.077,70 44.583,71 15.156,72 60.616,73 20.547,74 0.686,75 2.041,76 44.991,77 16.031,78 65.287,79 21.746,80 0.853,81 2.023,82 44.743,83 15.155,84 85.373,85 20.39,86 0.843,87 2.03,88 41.219,89 14.587,90 85.467,91 19.431,92 0.597,93 2.131,94 41.828,95 15.787,96 69.212,97 21.303,98 0.618,99 2.242,100 46.734,101 17.637,102 64.529,103 24.081,104 5,105 61,106 0.235,107 0.546,108 0.729,109 0.813,110 0.844,111 0.844,112 3.693,113 0.948,114 -3.07,115 -3.06,116 -2.95,119 40.5,121 3,122 1,125 10,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 12,174 1,175 8,178 1,180 1,183 12,186 3,187 8,190 2,192 2,195 9,198 2,199 11,204 1,207 9,211 2,212 11,217 2,220 10,223 3,224 10,227 1,229 3,232 10,236 1,237 8,240 1,242 3,245 8,249 2,250 11,255 1,258 6,262 2,263 13,266 2,268 1,271 6,275 3203,276 27.015,277 27.015,278 27.015,279 27.015,280 27.015,281 25.173,282 30.679,283 16.182,284 27.762,285 21.801,286 21.801,287 21.801,288 21.801,289 21.801,290 18.781,291 37.927,292 7.761,293 22.962,294 4.689,295 2.685,296 1.5,297 0.956,298 0.757,299 0.757,300 4.409,305 1,306 1192,307 3.536,309 91.129,311 607.453,315 183.59,318 2.011,319 44.236,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 85.5,331 535,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.282,342 3.63,343 6.253,344 3.905,345 2.943,346 3.878,347 1.138,348 9.446,349 2.841,350 4.009,351 3.189,352 6.118,353 3.689,354 2.751,355 3.362,356 0.86,357 8.975,358 2.603,359 3.794,360 3.14,361 5.938,362 3.571,363 2.61,364 3.042,365 0.86,366 8.232,367 2.547,368 3.695,369 2.954,370 5.479,371 3.548,372 2.568,373 2.852,374 0.86,375 7.364,376 2.46,377 3.567,378 2.809,379 5.385,380 3.441,381 2.466,382 2.578,383 0.815,384 7.083,385 2.376,386 3.317,387 2.603,388 5.07,389 3.06,390 2.084,391 2.446,392 0.643,393 5.78,394 2.009,395 3.207,396 2.408,397 4.836,398 2.81,399 1.833,400 2.308,401 0.163,402 5.358,403 1.793,404 3.006,405 2.212,406 4.539,407 2.724,408 1.808,409 2.099,411 4.675,412 1.631,413 2.88,414 2.132,415 4.3,416 2.495,417 1.559,418 2.001,420 4.065,421 1.452,422 2.846,423 1.95,424 4.146,425 2.394,426 1.432,427 1.933,428 3.421,429 1.373,430 2.605,431 1.787,432 3.804,433 2.254,434 1.375,435 1.592,436 3.081,437 1.197,438 2.426,439 1.403,440 3.57,441 2.164,442 1.196,443 1.416,445 2.977,446 1.146,447 2.21,448 1.38,449 3.478,450 1.964,451 1,452 1.149,454 2.486,455 0.958,456 2.103,457 1.256,458 3.4,459 1.952,460 1,461 1.077,463 2.274,464 0.946,465 18.2,466 0.467,467 0.794,468 0.02,469 44.5,470 1.141,471 18,472 0.462,473 26.5,474 0.679,475 39.74,476 1.019,477 43.6,478 0.589,479 38.686,480 0.992,481 8.631,482 0.221,483 10.506,484 0.269,485 0.037,487 0.319,493 0.795,494 1.436,495 0.783,496 1.233,497 0.561,498 1.038,499 1.165,500 1.107,501 1.002,502 1.006,503 0.69,504 0.968,505 1.106,506 0.906,507 1,508 0.926,509 0.953,510 0.936,511 0.993,512 1.016,513 0.892,514 0.995,515 0.865,516 0.939,517 1.173,518 0.933,519 0.918,520 0.866,521 1.347,522 0.846,523 1.106,524 1.068,525 1.062,526 1.018,527 1.624,528 1.028,529 0.906,530 1.131,531 1.054,532 1.132,533 1.195,534 1.119,535 0.828,536 1.144,537 1.022,538 1.176,539 0.79,540 1.144,541 6.5,542 0.277,543 3.667,544 2.188,545 2.084,546 1.514,547 0.933,548 0.597,549 0.423,550 0.342,551 25620,552 61329,553 2.187,554 47.3,555 6,556 27,559 1,561 1,564 1.799,565 2.108,566 3.718,567 -0.383,573 112.503,574 1.52,575 3.525,576 4.71,577 5.253,578 5.453,579 5.453,580 3.224,581 4.978,582 5.253,583 3.898,584 2888.05,585 9.298,586 48795,591 459.5,592 1.154,593 5.243,594 0.148,595 0.006,596 0.062,597 0.035,598 0.034,599 0.024,600 0.015,601 0.009,602 0.007,603 0.006,604 0.346,605 0.33,606 0.75,607 0.355,608 217.331,609 -0.024,610 -0.21,611 0.081,612 -0.103,613 0.003,614 -0.009,615 -0.101,616 0.018,617 -0.043,618 0.008,619 0.004,620 -0.002,621 -0.035,622 0.136,623 -0.013,624 0.059,625 -0.02,626 0.032,627 0.01,628 -0.028,629 0.087,630 0.015,631 0.06,632 0.058,633 -0.034,634 0.07,635 0.081,636 0.127,637 -0.026,638 0.128,639 -0.012,640 0.006,641 -0.092,642 -0.002,643 -0.109,644 -0.054,645 -0.033,646 -0.054,647 -0.118,648 -0.094,649 -0.084,650 -0.116,651 0.011,652 -0.125,653 -0.078,654 -0.143,655 -0.004,656 -0.13,657 1.746,658 6.047,659 0.821,660 48.388,661 1.005,662 1.127,663 1.837,664 3.373,665 0.648,666 3.807,667 4.127,668 4.419,669 4.673,670 4.949,671 5.056,672 5.278,673 5.451,674 5.606,675 5.733,676 8.098,677 0.619,678 533.68,679 3.807,680 5.352,681 6.209,682 7.088,683 7.96,684 8.847,685 9.728,686 10.62,687 11.507,688 12.402,689 4.1,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 74,733 15,734 2,735 44,737 79,738 30,739 12,740 6,741 6,742 3,746 6,747 7,755 3,756 1,758 3,761 16,762 14,763 1,766 3,771 2,773 1,775 3,781 35,782 9,783 1,784 9,790 3,794 0.833,795 6,810 1,812 5,816 1,826 1,831 1,836 2,839 2,840 5,848 39,854 13,855 1,856 4,858 1,859 2,870 8.1,873 2,874 2,875 2,877 18.5,878 13.067,879 8.5,880 4.738,881 2.903,882 1.333,883 0.988,884 8.279,885 11.607,886 3.989,887 4.5,888 5.024,889 5.56,890 6.114,891 6.447,892 6.913,893 7.333,894 7.72,895 8.056,896 1,897 62,898 14.593,900 6.361,901 7.662,902 28.342,904 24.06,905 2.162,906 84.333,910 400.217,911 144.881,912 24.259,914 94.289,917 144.881,918 494.507,919 24.259,921 59.105,922 66.334,923 82.128,924 55.863,926 400.217,928 400.217,929 169.14,930 94.289,933 388.446,934 84.061,935 22,937 65.353,938 94.311,939 9.476,941 400.217,942 118.549,943 144.881,946 400.217,947 78.547,948 72.582,949 18.011,950 94.289,951 400.217,952 118.549,953 144.881,955 0.577,956 0.337,957 0.181,958 0.101,959 30,960 12,961 0.101,962 8,963 1,964 1.063,965 4.956,966 399.703,967 0.063,968 32,969 193.376,974 26.481,975 12.193,976 6.209,978 118.549,979 11.384,984 4.007,986 18.011,987 663.647,988 53,993 25.928,995 1.567,997 0.397,999 74.407,1000 83.395,1001 0.245,1002 0.568,1003 0.758,1004 0.846,1005 0.878,1006 0.878,1007 5.252,1008 1.833,1009 6.176,1010 5.78,1011 4.812,1012 5.187,1013 2.78,1014 6.976,1015 4.723,1016 6.409,1017 1.808,1018 7.72,1019 5.358,1020 4.29,1021 4.913,1022 1.738,1023 7.832,1024 4.201,1025 7.7,1026 1.559,1027 9.366,1028 4.675,1029 6.402,1030 7.253,1031 3.325,1032 10.965,1033 6.245,1034 9.022,1035 1.432,1036 11.075,1037 4.065,1038 6.723,1039 7.84,1040 3.158,1041 12.682,1042 6.568,1043 10.38,1044 1.375,1045 12.824,1046 3.421,1047 8.26,1048 9.657,1049 4.31,1050 15.314,1051 8.051,1052 11.762,1053 1.196,1054 14.602,1055 3.081,1056 8.988,1057 10.658,1058 4.581,1059 17.4,1060 8.775,1061 13.165,1062 1,1063 16.401,1064 2.977,1065 10.281,1066 12.261,1067 5.508,1068 19.865,1069 10.026,1070 3.229,1071 1,1072 18.215,1073 2.486,1074 11.214,1075 13.47,1076 5.978,1077 22.119,1078 10.948,1079 2.943,1080 11.26,1081 20.042,1082 2.274,1083 12.404,1084 14.978,1085 6.789,1086 24.531,1087 12.106,1088 2.751,1089 9.446,1090 21.88,1091 4.259,1092 13.44,1093 16.293,1094 7.355,1095 26.863,1096 13.128,1097 2.61,1098 8.975,1099 23.726,1100 3.878,1101 14.591,1102 17.758,1103 8.104,1104 29.264,1105 14.254,1106 2.568,1107 8.232,1108 25.579,1109 3.362,1110 15.68,1111 19.128,1112 8.718,1113 31.635,1114 15.326,1115 2.466,1116 7.364,1117 27.439,1118 3.042,1119 16.82,1120 20.576,1121 9.433,1122 34.036,1123 16.445,1124 2.084,1125 7.083,1126 29.304,1127 2.852,1128 17.936,1129 21.975,1130 10.073,1131 36.427,1132 17.545,1133 23452,1134 36478,1135 30.512,1136 47.926,1137 65.282,1138 67.804,1139 65.594,1140 64.691,1141 64.705,1142 77.112,1143 14.595,1144 183.947,1145 61.623,1146 5.574,1147 5.642,1148 6.612,1149 5.312,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 11.87,1156 1.484,1157 1.541,1158 1.491,1159 1.47,1160 1.471,1161 1.753,1162 0.332,1163 4.181,1164 1.401,1165 4.069,1166 4.086,1167 4.031,1168 3.993,1169 7.43,1170 3.999,1171 3.906,1172 3.945,1173 3.836,1174 3.791,1175 7.426,1176 3.79,1177 3.846,1178 3.892,1179 3.732,1180 3.736,1181 4.924,1182 3.735,1183 3.807,1184 3.86,1185 3.701,1186 3.595,1187 4.771,1188 3.613,1189 3.734,1190 3.777,1191 3.632,1192 3.55,1193 4.627,1194 3.564,1195 3.465,1196 3.493,1197 3.387,1198 3.286,1199 4.61,1200 3.301,1201 3.399,1202 3.426,1203 3.311,1204 3.194,1205 4.408,1206 3.219,1207 3.149,1208 3.206,1209 3.023,1210 2.941,1211 4.346,1212 2.942,1213 0.104,1214 0.083,1215 0.155,1216 0.096,1217 0.073,1218 4.574,1219 0.097,1220 3.642,1221 0.045,1222 6.81,1223 0.256,1224 4.205,1225 0.072,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.007,1232 1.995,1233 2.116,1234 2.099,1235 1.52,1236 2.095,1237 1.898,1238 1.853,1239 2.069,1240 2.04,1241 1.237,1242 2.058,1243 1.812,1244 1.784,1245 1.951,1246 1.996,1247 1.226,1248 1.985,1249 1.728,1250 1.67,1251 1.928,1252 1.955,1253 1.186,1254 1.951,1255 1.688,1256 1.637,1257 1.861,1258 1.872,1259 0.984,1260 1.868,1261 1.389,1262 1.362,1263 1.56,1264 1.618,1265 0.825,1266 1.597,1267 1.331,1268 1.293,1269 1.519,1270 1.537,1271 0.825,1272 1.531,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.489,1281 5.832,1283 7.363,1285 8.979,1287 10.64,1295 9.821,1296 3.056,1297 23.502,1299 0.539,1300 4.133,1305 45.782,1306 112.503,1307 260.837,1308 348.506,1309 388.745,1310 403.5,1311 403.5,1312 74.042,1313 8.704,1314 93.48,1315 93.48,1316 34,1317 12.93,1318 4,1319 3.322,1320 54.862,1321 187,1322 206,1323 0.138,1324 272.194,1325 493.58,1326 655.914,1327 82723,1329 26.606,1330 0.682,1331 0.568,1332 26.606,1333 22.155,1334 19.136,1335 0.435,1336 0.316,1337 13.662,1338 18.206,1339 13.464,1340 10.972,1341 19.136,1342 13.906,1343 17.078,1344 0.28,1345 0.172,1346 17.078,1347 10.486,1348 14.594,1349 0.178,1350 0.095,1351 14.594,1352 7.801,1353 12.113,1354 0.114,1355 0.048,1356 12.113,1357 5.059,1358 10.181,1359 0.073,1360 0.025,1361 10.181,1362 3.442,1363 0.217,1364 121.292,1365 0.181,1366 35.098,1367 0.381,1368 210,1369 630.036,1370 234.486,1371 581.207,1372 791.41,1373 550,1374 248,1375 569.456,1376 273.793,1377 566.384,1378 840.64,1379 535,1380 6.538}
{0 CHEMBL1669166,1 1.52,2 13.744,3 3.562,4 12.691,5 147.483,6 7.212,7 0.273,8 4.415,9 4.522,10 3.963,11 3.907,12 5.421,13 3.899,14 5.002,15 5.172,16 4.282,17 4.284,18 5.988,19 4.254,20 5.248,21 5.454,22 4.368,23 4.438,24 6.223,25 4.38,26 5.259,27 5.467,28 4.364,29 4.444,30 6.26,31 4.375,32 5.279,33 5.49,34 4.382,35 4.429,36 6.345,37 4.377,38 5.2,39 5.38,40 4.382,41 4.442,42 6.311,43 4.39,44 5.221,45 5.404,46 4.38,47 4.497,48 6.251,49 4.426,50 5.325,51 5.532,52 4.346,53 4.532,54 6.275,55 4.435,56 0.047,57 1.051,58 16.189,59 7.176,60 7.265,61 9.228,62 0.505,63 1.703,64 32.78,65 11.486,66 36.435,67 15.312,68 0.852,69 2.049,70 44.003,71 14.888,72 61.602,73 20.148,74 0.611,75 2.04,76 43.955,77 16.005,78 60.768,79 21.707,80 0.91,81 2.036,82 46.199,83 15.325,84 89.064,85 20.682,86 0.855,87 1.998,88 40.933,89 14.374,90 85.779,91 19.148,92 0.564,93 2.089,94 40.751,95 15.581,96 66.458,97 20.936,98 0.643,99 2.234,100 46.398,101 17.325,102 67.549,103 23.663,104 5,105 61,106 0.235,107 0.546,108 0.729,109 0.813,110 0.844,111 0.844,112 3.693,113 0.948,114 -3.07,115 -3.06,116 -2.95,119 40.5,121 3,122 1,125 10,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 12,174 1,175 8,178 1,180 1,183 12,186 3,187 7,190 2,192 2,195 9,198 2,199 12,204 1,207 9,211 2,212 11,217 2,220 9,223 3,224 10,227 1,229 2,232 9,236 1,237 8,240 1,242 4,245 8,249 2,250 10,255 1,258 7,262 2,263 12,266 2,268 1,271 5,275 3234,276 27.015,277 27.015,278 27.015,279 27.015,280 27.015,281 25.173,282 30.679,283 16.182,284 27.78,285 21.801,286 21.801,287 21.801,288 21.801,289 21.801,290 18.781,291 37.927,292 7.76,293 22.979,294 4.689,295 2.685,296 1.5,297 0.956,298 0.757,299 0.757,300 4.405,305 1,306 1195,307 3.674,308 72.109,311 610.644,315 184.482,318 2.033,319 44.062,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 85.5,331 536,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.281,342 3.63,343 6.253,344 3.902,345 2.94,346 3.878,347 1.138,348 9.443,349 2.84,350 4.008,351 3.188,352 6.117,353 3.688,354 2.75,355 3.361,356 0.86,357 8.973,358 2.654,359 3.794,360 3.135,361 5.938,362 3.654,363 2.657,364 3.042,365 0.86,366 8.231,367 2.596,368 3.693,369 2.947,370 5.492,371 3.554,372 2.602,373 2.851,374 0.86,375 7.393,376 2.46,377 3.653,378 2.807,379 5.476,380 3.449,381 2.474,382 2.658,383 0.815,384 7.353,385 2.38,386 3.317,387 2.661,388 5.07,389 3.064,390 2.091,391 2.448,392 0.643,393 5.784,394 2.011,395 3.212,396 2.414,397 4.84,398 2.814,399 1.834,400 2.314,401 0.163,402 5.369,403 1.796,404 3.007,405 2.224,406 4.539,407 2.724,408 1.813,409 2.099,411 4.675,412 1.631,413 2.901,414 2.134,415 4.31,416 2.54,417 1.606,418 2.021,420 4.113,421 1.489,422 2.847,423 2.04,424 4.149,425 2.394,426 1.433,427 1.933,428 3.425,429 1.373,430 2.605,431 1.787,432 3.804,433 2.256,434 1.381,435 1.592,436 3.082,437 1.198,438 2.426,439 1.403,440 3.57,441 2.164,442 1.196,443 1.417,445 2.978,446 1.146,447 2.282,448 1.396,449 3.498,450 2.108,451 1.14,452 1.265,454 2.579,455 1.096,456 2.21,457 1.313,458 3.478,459 1.952,460 1,461 1.149,463 2.483,464 0.946,465 18.2,466 0.467,467 0.794,468 0.02,469 44.5,470 1.141,471 18,472 0.462,473 26.5,474 0.679,475 39.54,476 1.014,477 43.6,478 0.589,479 38.615,480 0.99,481 8.64,482 0.222,483 10.496,484 0.269,485 0.037,487 0.319,493 0.795,494 1.436,495 0.783,496 1.233,497 0.561,498 1.038,499 1.173,500 1.115,501 1.009,502 1.013,503 0.692,504 0.975,505 1.13,506 0.869,507 0.995,508 0.885,509 0.973,510 0.905,511 0.929,512 1.087,513 0.898,514 1.071,515 0.845,516 0.996,517 1.215,518 0.904,519 0.923,520 0.836,521 1.345,522 0.826,523 1.122,524 1.028,525 1.059,526 0.989,527 1.642,528 1.006,529 0.898,530 1.171,531 1.039,532 1.156,533 1.205,534 1.128,535 0.864,536 1.14,537 1.061,538 1.172,539 0.82,540 1.157,541 6.5,542 0.256,543 3.833,544 2.222,545 1.978,546 1.482,547 1.013,548 0.496,549 0.46,550 0.341,551 25855,552 61708,553 2.187,554 47.3,555 5,556 27,559 1,561 2,564 1.799,565 2.108,566 3.722,567 -0.383,573 112.503,574 1.52,575 3.525,576 4.71,577 5.253,578 5.453,579 5.453,580 3.231,581 4.978,582 5.253,583 3.905,584 2893.71,585 9.297,586 49118.5,591 459.5,592 1.154,593 5.243,594 0.148,595 0.005,596 0.066,597 0.036,598 0.032,599 0.024,600 0.016,601 0.008,602 0.008,603 0.006,604 0.349,605 0.33,606 0.75,607 0.355,608 217.577,609 -0.024,610 -0.21,611 0.081,612 -0.103,613 0.003,614 -0.009,615 -0.102,616 0.008,617 -0.047,618 -0.002,619 0.006,620 -0.011,621 -0.045,622 0.175,623 -0.006,624 0.099,625 -0.028,626 0.061,627 0.031,628 -0.087,629 0.07,630 -0.052,631 0.07,632 0.006,633 -0.045,634 0.085,635 0.086,636 0.146,637 -0.03,638 0.144,639 -0.016,640 0.043,641 -0.085,642 0.022,643 -0.109,644 -0.034,645 -0.021,646 -0.096,647 -0.106,648 -0.111,649 -0.076,650 -0.122,651 -0.011,652 -0.111,653 -0.115,654 -0.144,655 -0.026,656 -0.148,657 1.747,658 6.041,659 0.795,660 49.203,661 1.005,662 1.127,663 1.837,664 3.373,665 0.648,666 3.807,667 4.127,668 4.382,669 4.663,670 4.934,671 5.037,672 5.257,673 5.425,674 5.58,675 5.704,676 8.152,677 0.619,678 533.68,679 3.807,680 5.352,681 6.209,682 7.088,683 7.96,684 8.846,685 9.728,686 10.619,687 11.506,688 12.4,689 4.1,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 74,733 15,734 2,735 44,737 79,738 30,739 12,740 6,741 6,742 3,746 6,747 7,755 2,756 1,758 3,761 16,762 14,763 1,766 3,771 2,773 1,775 3,781 35,782 9,783 1,784 9,790 3,794 0.833,795 6,809 1,812 5,816 1,826 1,831 1,836 2,839 2,840 5,848 39,854 13,855 1,856 4,858 1,859 2,870 8.1,873 2,874 2,875 2,877 18.5,878 13.067,879 8.5,880 4.738,881 2.902,882 1.335,883 0.988,884 8.279,885 11.572,886 3.989,887 4.5,888 5.004,889 5.556,890 6.107,891 6.437,892 6.902,893 7.319,894 7.704,895 8.04,896 1,897 62,898 14.591,900 6.357,901 7.662,902 28.342,904 24.06,905 2.162,906 84.333,910 400.217,911 144.881,912 24.259,914 94.289,917 144.881,918 494.507,919 24.259,921 59.105,922 66.334,923 82.128,924 55.863,926 400.217,928 400.217,929 169.14,930 94.289,933 376.675,934 95.832,935 22,937 65.353,938 94.311,939 9.476,941 400.217,942 118.549,943 144.881,946 400.217,947 78.547,948 72.582,949 18.011,950 94.289,951 400.217,952 118.549,953 144.881,955 0.577,956 0.325,957 0.18,958 0.1,959 30,960 12,961 0.114,962 9,963 1,964 1.065,965 4.985,966 397.809,967 0.065,968 31,969 196.131,974 26.481,975 12.193,976 6.707,978 118.549,979 11.369,984 3.993,986 18.011,987 663.647,988 53,993 25.908,995 1.566,997 0.395,999 74.407,1000 83.395,1001 0.245,1002 0.568,1003 0.758,1004 0.846,1005 0.878,1006 0.878,1007 5.252,1008 1.834,1009 6.176,1010 5.784,1011 4.812,1012 5.187,1013 2.78,1014 6.976,1015 4.723,1016 6.419,1017 1.813,1018 7.723,1019 5.369,1020 4.369,1021 4.956,1022 1.738,1023 7.874,1024 4.287,1025 7.711,1026 1.606,1027 9.372,1028 4.675,1029 6.402,1030 7.253,1031 3.325,1032 10.968,1033 6.247,1034 9.034,1035 1.433,1036 11.082,1037 4.113,1038 6.77,1039 7.855,1040 3.158,1041 12.7,1042 6.626,1043 10.392,1044 1.381,1045 12.833,1046 3.425,1047 8.268,1048 9.659,1049 4.31,1050 15.32,1051 8.064,1052 11.774,1053 1.196,1054 14.611,1055 3.082,1056 9.021,1057 10.664,1058 4.581,1059 17.409,1060 8.82,1061 13.176,1062 1.14,1063 16.41,1064 2.978,1065 10.295,1066 12.263,1067 5.508,1068 19.87,1069 10.048,1070 3.229,1071 1,1072 18.224,1073 2.579,1074 11.239,1075 13.472,1076 5.978,1077 22.123,1078 10.986,1079 2.94,1080 11.26,1081 20.051,1082 2.483,1083 12.42,1084 14.979,1085 6.789,1086 24.534,1087 12.133,1088 2.75,1089 9.443,1090 21.888,1091 4.259,1092 13.46,1093 16.294,1094 7.355,1095 26.866,1096 13.161,1097 2.657,1098 8.973,1099 23.733,1100 3.878,1101 14.606,1102 17.759,1103 8.104,1104 29.265,1105 14.28,1106 2.602,1107 8.231,1108 25.586,1109 3.361,1110 15.695,1111 19.129,1112 8.718,1113 31.636,1114 15.354,1115 2.474,1116 7.393,1117 27.445,1118 3.042,1119 16.832,1120 20.576,1121 9.433,1122 34.036,1123 16.469,1124 2.091,1125 7.353,1126 29.31,1127 2.851,1128 17.948,1129 21.975,1130 10.073,1131 36.427,1132 17.568,1133 23635,1134 36709,1135 30.512,1136 47.926,1137 65.83,1138 68.337,1139 66.087,1140 65.124,1141 65.214,1142 77.619,1143 14.595,1144 185.122,1145 62.123,1146 5.574,1147 5.642,1148 6.612,1149 5.312,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 11.879,1156 1.496,1157 1.553,1158 1.502,1159 1.48,1160 1.482,1161 1.764,1162 0.332,1163 4.207,1164 1.412,1165 4.069,1166 4.086,1167 4.031,1168 3.993,1169 7.43,1170 3.999,1171 3.92,1172 3.965,1173 3.836,1174 3.818,1175 7.426,1176 3.807,1177 3.862,1178 3.9,1179 3.766,1180 3.748,1181 4.924,1182 3.756,1183 3.807,1184 3.86,1185 3.701,1186 3.595,1187 4.771,1188 3.613,1189 3.736,1190 3.78,1191 3.635,1192 3.551,1193 4.627,1194 3.564,1195 3.465,1196 3.494,1197 3.387,1198 3.286,1199 4.61,1200 3.301,1201 3.404,1202 3.432,1203 3.315,1204 3.194,1205 4.405,1206 3.22,1207 3.303,1208 3.362,1209 3.142,1210 3.102,1211 4.345,1212 3.099,1213 0.104,1214 0.083,1215 0.155,1216 0.096,1217 0.073,1218 4.574,1219 0.097,1220 3.642,1221 0.045,1222 6.81,1223 0.256,1224 4.205,1225 0.072,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.075,1234 2.095,1235 1.239,1236 2.087,1237 1.821,1238 1.8,1239 1.952,1240 2.002,1241 1.227,1242 1.988,1243 1.728,1244 1.67,1245 1.931,1246 1.961,1247 1.198,1248 1.955,1249 1.691,1250 1.639,1251 1.874,1252 1.884,1253 1.173,1254 1.88,1255 1.553,1256 1.496,1257 1.801,1258 1.734,1259 0.979,1260 1.758,1261 1.388,1262 1.361,1263 1.56,1264 1.616,1265 0.825,1266 1.596,1267 1.33,1268 1.293,1269 1.518,1270 1.532,1271 0.825,1272 1.528,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.489,1280 1.946,1281 5.808,1282 3.714,1283 7.328,1284 5.416,1285 8.941,1286 7.086,1287 10.603,1295 9.745,1296 3.05,1297 23.442,1299 0.735,1300 4.131,1305 45.782,1306 112.503,1307 260.837,1308 348.506,1309 388.745,1310 403.5,1311 403.5,1312 73.589,1313 8.67,1314 93.48,1315 93.48,1316 33,1317 12.928,1318 4,1319 3.322,1320 54.863,1321 188,1322 206,1323 0.137,1324 272.194,1325 493.58,1326 655.914,1327 79806,1329 26.606,1330 0.682,1331 0.568,1332 26.606,1333 22.155,1334 19.136,1335 0.435,1336 0.316,1337 13.662,1338 18.199,1339 13.468,1340 10.962,1341 19.136,1342 13.906,1343 17.078,1344 0.28,1345 0.171,1346 17.078,1347 10.459,1348 14.019,1349 0.177,1350 0.092,1351 14.019,1352 7.294,1353 12.043,1354 0.115,1355 0.048,1356 12.043,1357 5.021,1358 10.076,1359 0.073,1360 0.025,1361 10.076,1362 3.394,1363 0.216,1364 121.292,1365 0.181,1366 35.152,1367 0.377,1368 210,1369 630.036,1370 234.486,1371 581.031,1372 791.33,1373 550,1374 248,1375 569.456,1376 273.461,1377 565.864,1378 839.79,1379 535,1380 6.398}
{0 CHEMBL1669167,1 1.506,2 13.725,3 3.904,4 15.238,5 151.805,6 7.113,7 0.267,8 4.449,9 4.559,10 3.985,11 3.941,12 5.451,13 3.93,14 5.046,15 5.218,16 4.336,17 4.343,18 6.017,19 4.312,20 5.308,21 5.506,22 4.417,23 4.512,24 6.281,25 4.445,26 5.381,27 5.614,28 4.381,29 4.502,30 6.334,31 4.418,32 5.3,33 5.512,34 4.418,35 4.472,36 6.357,37 4.417,38 5.242,39 5.417,40 4.44,41 4.505,42 6.353,43 4.451,44 5.303,45 5.494,46 4.427,47 4.572,48 6.314,49 4.494,50 5.398,51 5.611,52 4.421,53 4.607,54 6.343,55 4.508,56 0.035,57 1.09,58 17.13,59 7.515,60 7.927,61 9.768,62 0.493,63 1.787,64 34.573,65 12.199,66 38.651,67 16.411,68 0.767,69 2.199,70 46.248,71 16.168,72 59.702,73 21.945,74 0.775,75 2.218,76 51.392,77 17.764,78 74.719,79 24.558,80 0.843,81 2.102,82 47,83 15.884,84 87.176,85 21.636,86 0.805,87 2.114,88 42.627,89 15.232,90 85.711,91 20.423,92 0.603,93 2.276,94 44.851,95 16.716,96 72.672,97 22.828,98 0.587,99 2.396,100 50.143,101 19.013,102 66.364,103 26.166,104 10,105 64,106 0.231,107 0.542,108 0.732,109 0.812,110 0.842,111 0.842,112 3.718,113 0.949,114 -3.26,115 -3.25,116 -3.11,119 40.3,120 1,121 3,123 1,125 10,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 13,174 1,175 8,178 1,180 1,183 14,186 3,187 9,190 2,192 2,195 10,198 2,199 11,204 1,207 9,211 2,212 11,217 2,220 11,223 3,224 10,227 1,229 4,232 12,236 1,237 8,240 1,242 3,245 10,249 2,250 12,255 1,258 7,262 2,263 15,266 2,268 1,271 8,275 3406,276 27.361,277 27.361,278 27.361,279 27.361,280 27.361,281 25.518,282 30.679,283 16.133,284 28.1,285 22.253,286 22.253,287 22.253,288 22.253,289 22.253,290 19.233,291 37.927,292 7.684,293 23.403,294 4.761,295 2.742,296 1.503,297 0.981,298 0.789,299 0.789,300 4.431,305 1,306 1219,307 3.873,309 94.129,311 626.41,315 189.368,318 1.966,319 45.212,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 87.5,331 549,332 4.574,333 3.642,334 6.991,335 4.307,336 3.313,337 4.259,338 1.959,339 11.827,340 3.292,341 4.334,342 3.63,343 6.81,344 4.204,345 3.228,346 3.879,347 1.138,348 11.26,349 3.16,350 4.254,351 3.367,352 6.251,353 3.896,354 2.932,355 3.367,356 0.86,357 9.438,358 2.837,359 4.006,360 3.184,361 6.116,362 3.685,363 2.747,364 3.3,365 0.86,366 8.971,367 2.597,368 3.794,369 3.104,370 5.938,371 3.554,372 2.602,373 3.042,374 0.86,375 8.23,376 2.46,377 3.687,378 2.927,379 5.477,380 3.448,381 2.473,382 2.849,383 0.815,384 7.357,385 2.379,386 3.317,387 2.805,388 5.07,389 3.061,390 2.087,391 2.447,392 0.643,393 5.783,394 2.01,395 3.21,396 2.413,397 4.84,398 2.81,399 1.833,400 2.311,401 0.163,402 5.365,403 1.794,404 3.007,405 2.216,406 4.539,407 2.724,408 1.808,409 2.099,411 4.675,412 1.631,413 2.884,414 2.132,415 4.317,416 2.495,417 1.56,418 2.007,420 4.084,421 1.452,422 2.846,423 1.974,424 4.151,425 2.394,426 1.432,427 1.933,428 3.422,429 1.373,430 2.605,431 1.787,432 3.804,433 2.254,434 1.375,435 1.592,436 3.081,437 1.197,438 2.426,439 1.403,440 3.789,441 2.164,442 1.196,443 1.416,445 2.977,446 1.146,447 2.21,448 1.38,449 3.569,450 2.084,451 1.098,452 1.15,454 2.503,455 1.08,456 2.157,457 1.256,458 3.478,459 1.952,460 1,461 1.143,463 2.48,464 0.946,465 18.7,466 0.468,467 0.958,468 0.024,469 45,470 1.125,471 18,472 0.45,473 27,474 0.675,475 43.047,476 1.076,477 44.9,478 0.583,479 39.614,480 0.99,481 8.625,482 0.216,483 10.847,484 0.271,485 0.062,486 0.027,487 0.283,493 0.794,494 1.438,495 0.798,496 1.241,497 0.575,498 1.05,499 1.153,500 1.069,501 0.965,502 0.965,503 0.683,504 0.926,505 1.089,506 1.015,507 1.062,508 1.047,509 0.946,510 1.046,511 1.006,512 0.943,513 0.87,514 0.925,515 0.834,516 0.884,517 1.154,518 0.905,519 0.888,520 0.837,521 1.324,522 0.816,523 1.102,524 1.11,525 1.064,526 1.046,527 1.623,528 1.047,529 0.914,530 1.121,531 1.072,532 1.123,533 1.184,534 1.119,535 0.792,536 1.142,537 0.996,538 1.172,539 0.749,540 1.131,541 8,542 0.38,543 4.222,544 2.563,545 2.244,546 1.681,547 1.076,548 0.75,549 0.521,550 0.452,551 26929,552 63432,553 2.16,554 48.1,555 9,556 27,559 1,564 1.806,565 2.06,566 3.703,567 -0.392,573 115.948,574 1.506,575 3.524,576 4.764,577 5.286,578 5.478,579 5.478,580 3.204,581 4.596,582 5.29,583 3.895,584 3038.28,585 9.376,586 52158.2,591 482.543,592 1.349,593 5.266,594 0.178,595 0.007,596 0.068,597 0.04,598 0.036,599 0.025,600 0.016,601 0.011,602 0.008,603 0.008,604 0.398,605 0.33,606 0.75,607 0.413,608 224.239,609 -0.02,610 -0.204,611 0.081,612 -0.099,613 -0.006,614 -0.008,615 -0.088,616 0.059,617 0.002,618 0.057,619 0.014,620 0.05,621 -0.032,622 0.048,623 -0.083,624 -0.044,625 -0.024,626 -0.069,627 0.011,628 0.016,629 0.123,630 0.069,631 0.064,632 0.109,633 -0.02,634 0.096,635 0.115,636 0.156,637 -0.012,638 0.161,639 -0.005,640 -0.022,641 -0.093,642 -0.018,643 -0.104,644 -0.066,645 -0.041,646 -0.029,647 -0.13,648 -0.086,649 -0.09,650 -0.115,651 0.027,652 -0.119,653 -0.052,654 -0.134,655 0.021,656 -0.111,657 1.749,658 6.082,659 0.8,660 49.308,661 1.004,662 1.127,663 2.027,664 4.108,665 0.645,666 3.829,667 4.174,668 4.454,669 4.7,670 4.963,671 5.075,672 5.298,673 5.476,674 5.631,675 5.762,676 8.133,677 0.614,678 547.71,679 3.829,680 5.389,681 6.248,682 7.138,683 8.013,684 8.908,685 9.791,686 10.69,687 11.578,688 12.48,689 3.9,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 77,733 15,734 2,735 45,737 82,738 31,739 12,740 6,741 6,742 3,746 6,747 7,752 1,753 1,754 1,755 3,758 3,761 16,762 15,766 3,771 2,773 1,775 3,781 37,782 9,783 1,784 9,790 3,794 0.833,795 6,810 1,812 5,816 1,826 1,831 1,836 2,839 2,840 5,844 1,848 40,854 13,855 1,856 4,859 2,860 1,870 7.8,873 2,874 2,875 2,877 19.417,878 13.983,879 8.625,880 4.862,881 2.902,882 1.332,883 0.976,884 8.238,885 11.64,886 4.007,887 4.533,888 5.043,889 5.571,890 6.121,891 6.456,892 6.923,893 7.347,894 7.735,895 8.072,896 1,897 64,898 14.969,900 6.531,901 7.656,902 29.078,904 24.762,905 2.156,906 86.25,910 423.76,911 153.706,912 24.259,914 94.289,917 153.706,918 518.049,919 24.259,920 8.825,921 59.105,922 66.334,923 82.128,924 55.863,926 423.76,928 423.76,929 177.965,930 94.289,933 423.76,934 72.29,935 22,937 74.179,938 94.311,939 9.476,941 423.76,942 118.549,943 153.706,946 423.76,947 78.547,948 81.408,949 18.011,950 94.289,951 423.76,952 118.549,953 153.706,955 0.584,956 0.339,957 0.179,958 0.099,959 32,960 13,961 0.098,962 8,963 1,964 1.063,965 4.971,966 416.197,967 0.063,968 32,969 202.877,974 27.431,975 12.012,976 6.295,978 118.549,979 11.395,984 3.98,986 18.011,987 696.014,988 54,993 26.026,995 1.568,997 0.39,999 77.29,1000 86.81,1001 0.24,1002 0.562,1003 0.76,1004 0.844,1005 0.874,1006 0.874,1007 5.288,1008 1.833,1009 6.248,1010 5.783,1011 4.86,1012 5.22,1013 2.78,1014 7.088,1015 4.775,1016 6.468,1017 1.808,1018 7.824,1019 5.365,1020 4.511,1021 5.037,1022 1.738,1023 8.191,1024 4.44,1025 7.781,1026 1.56,1027 9.508,1028 4.675,1029 6.524,1030 7.307,1031 3.325,1032 11.241,1033 6.385,1034 9.126,1035 1.432,1036 11.259,1037 4.084,1038 7.013,1039 7.944,1040 3.158,1041 13.174,1042 6.896,1043 10.506,1044 1.375,1045 13.053,1046 3.422,1047 8.494,1048 9.72,1049 4.31,1050 15.781,1051 8.327,1052 11.908,1053 1.196,1054 14.877,1055 3.081,1056 9.357,1057 10.739,1058 4.581,1059 18.022,1060 9.204,1061 13.327,1062 1.098,1063 16.723,1064 2.977,1065 10.635,1066 12.318,1067 5.508,1068 20.503,1069 10.45,1070 3.313,1071 1,1072 18.583,1073 2.503,1074 11.667,1075 13.528,1076 5.978,1077 22.863,1078 11.488,1079 3.228,1080 11.827,1081 20.455,1082 2.48,1083 12.869,1084 15.022,1085 6.789,1086 25.311,1087 12.671,1088 2.932,1089 11.26,1090 22.336,1091 4.259,1092 13.976,1093 16.333,1094 7.355,1095 27.721,1096 13.778,1097 2.747,1098 9.438,1099 24.224,1100 3.879,1101 15.153,1102 17.79,1103 8.104,1104 30.164,1105 14.944,1106 2.602,1107 8.971,1108 26.119,1109 3.367,1110 16.296,1111 19.155,1112 8.718,1113 32.595,1114 16.083,1115 2.473,1116 8.23,1117 28.018,1118 3.3,1119 17.467,1120 20.597,1121 9.433,1122 35.04,1123 17.246,1124 2.087,1125 7.357,1126 29.922,1127 3.042,1128 18.627,1129 21.993,1130 10.073,1131 37.482,1132 18.401,1133 24752,1134 38199,1135 30.8,1136 49.688,1137 67.578,1138 70.307,1139 68.345,1140 66.84,1141 66.892,1142 79.302,1143 14.595,1144 195.109,1145 63.804,1146 5.574,1147 5.642,1148 6.793,1149 5.413,1150 5.313,1151 7.259,1152 3.43,1153 19.224,1154 5.292,1155 14.876,1156 1.502,1157 1.562,1158 1.519,1159 1.485,1160 1.486,1161 1.762,1162 0.324,1163 4.336,1164 1.418,1165 4.072,1166 4.09,1167 4.033,1168 3.995,1169 7.43,1170 4.001,1171 3.932,1172 3.971,1173 3.848,1174 3.833,1175 7.426,1176 3.824,1177 3.857,1178 3.897,1179 3.773,1180 3.744,1181 4.925,1182 3.751,1183 3.807,1184 3.86,1185 3.702,1186 3.595,1187 4.773,1188 3.613,1189 3.734,1190 3.778,1191 3.633,1192 3.55,1193 4.627,1194 3.564,1195 3.465,1196 3.493,1197 3.387,1198 3.286,1199 4.61,1200 3.301,1201 3.399,1202 3.426,1203 3.311,1204 3.194,1205 4.428,1206 3.219,1207 3.173,1208 3.241,1209 3.027,1210 2.962,1211 4.364,1212 2.962,1213 0.102,1214 0.081,1215 0.155,1216 0.096,1217 0.074,1218 4.574,1219 0.095,1220 3.642,1221 0.044,1222 6.991,1223 0.263,1224 4.307,1225 0.073,1226 3.313,1227 4.259,1228 1.959,1229 11.827,1230 3.292,1231 2.008,1232 1.996,1233 2.135,1234 2.102,1235 1.536,1236 2.104,1237 1.932,1238 1.89,1239 2.071,1240 2.059,1241 1.237,1242 2.071,1243 1.813,1244 1.789,1245 1.951,1246 1.998,1247 1.226,1248 1.986,1249 1.728,1250 1.67,1251 1.928,1252 1.956,1253 1.186,1254 1.951,1255 1.688,1256 1.637,1257 1.862,1258 1.872,1259 0.984,1260 1.868,1261 1.389,1262 1.362,1263 1.56,1264 1.618,1265 0.825,1266 1.597,1267 1.331,1268 1.293,1269 1.537,1270 1.537,1271 0.825,1272 1.531,1273 1.164,1274 1.087,1275 1.518,1276 1.415,1277 0.74,1278 1.456,1279 4.511,1281 5.872,1283 7.427,1285 9.065,1287 10.744,1289 2.24,1295 9.668,1296 3.069,1297 23.637,1300 4.134,1301 0.143,1305 47.309,1306 115.948,1307 271.38,1308 366.794,1309 407.033,1310 421.788,1311 421.788,1312 79.257,1313 8.739,1314 93.48,1315 93.48,1316 34,1317 13.004,1318 4,1319 3.322,1320 56.926,1321 193,1322 212,1323 0.139,1324 281.786,1325 510.88,1326 679.319,1327 85655,1329 27.529,1330 0.688,1331 0.577,1332 27.529,1333 23.078,1334 19.472,1335 0.433,1336 0.316,1337 13.997,1338 18.546,1339 13.712,1340 11.205,1341 19.472,1342 14.242,1343 17.906,1344 0.28,1345 0.177,1346 17.906,1347 11.331,1348 15.102,1349 0.178,1350 0.097,1351 15.102,1352 8.239,1353 12.473,1354 0.114,1355 0.05,1356 12.473,1357 5.396,1358 10.249,1359 0.072,1360 0.024,1361 10.249,1362 3.466,1363 0.218,1364 123.307,1365 0.18,1366 35.738,1367 0.385,1368 218,1369 638.036,1370 242.486,1371 590.556,1372 804.11,1373 558,1374 258,1375 579.456,1376 284.126,1377 579.086,1378 858.46,1379 545,1380 6.569}
{0 CHEMBL1669168,1 1.582,2 13.676,3 1.814,4 3.291,5 137.156,6 7.494,7 0.293,8 4.338,9 4.439,10 3.905,11 3.794,12 5.419,13 3.806,14 4.916,15 5.075,16 4.248,17 4.181,18 5.976,19 4.178,20 5.163,21 5.352,22 4.339,23 4.353,24 6.225,25 4.315,26 5.167,27 5.362,28 4.324,29 4.375,30 6.216,31 4.318,32 5.208,33 5.408,34 4.358,35 4.368,36 6.327,37 4.327,38 5.164,39 5.343,40 4.341,41 4.354,42 6.34,43 4.313,44 5.141,45 5.322,46 4.3,47 4.365,48 6.247,49 4.31,50 5.204,51 5.399,52 4.266,53 4.366,54 6.295,55 4.291,56 0.133,57 0.96,58 14.234,59 6.35,60 13.347,61 7.898,62 0.654,63 1.541,64 29.356,65 10.01,66 44.923,67 12.928,68 1.09,69 1.863,70 39.754,71 13.182,72 77.272,73 17.389,74 0.732,75 1.873,76 39.049,77 14.463,78 63.16,79 19.339,80 0.971,81 1.904,82 41.971,83 14.145,84 91.017,85 18.936,86 1.06,87 1.862,88 39.201,89 13.322,90 100.153,91 17.515,92 0.752,93 1.852,94 37.423,95 13.86,96 78.826,97 18.223,98 0.866,99 1.902,100 40.815,101 14.865,102 93.644,103 19.918,104 13,105 56,106 0.25,107 0.572,108 0.721,109 0.819,110 0.853,111 0.853,112 3.642,113 0.914,114 -1.75,115 -1.81,116 -1.83,119 39.7,125 11,135 1,139 1,142 6,143 3,144 3,157 1,158 1,172 8,174 1,175 7,178 1,180 1,183 10,186 3,187 6,190 3,192 2,195 9,198 2,199 10,204 1,207 8,211 2,212 11,217 2,220 6,223 3,224 10,227 1,228 1,229 3,232 3,236 1,237 7,240 1,242 4,245 1,249 2,250 7,253 1,255 2,262 2,263 8,266 4,268 3,275 2746,276 25.576,277 25.576,278 25.576,279 25.576,280 25.576,281 23.734,282 30.363,283 15.55,284 26.386,285 20.284,286 20.284,287 20.284,288 20.284,289 20.284,290 17.264,291 37.586,292 7.405,293 21.557,294 4.505,295 2.464,296 1.519,297 0.893,298 0.676,299 0.676,300 4.352,305 1,306 1107,307 3.606,311 574.065,315 173.138,318 2.08,319 48.531,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 82.5,331 506,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.281,342 3.63,343 6.253,344 3.901,345 2.939,346 3.878,347 1.138,348 9.442,349 2.839,350 4.008,351 3.188,352 6.117,353 3.686,354 2.749,355 3.361,356 0.86,357 8.973,358 2.597,359 3.794,360 3.134,361 5.938,362 3.554,363 2.603,364 3.042,365 0.86,366 8.231,367 2.461,368 3.689,369 2.946,370 5.477,371 3.45,372 2.476,373 2.851,374 0.86,375 7.357,376 2.381,377 3.317,378 2.807,379 5.07,380 3.065,381 2.094,382 2.448,383 0.815,384 5.784,385 2.011,386 3.214,387 2.417,388 4.841,389 2.816,390 1.836,391 2.316,392 0.643,393 5.37,394 1.797,395 3.007,396 2.238,397 4.539,398 2.725,399 1.818,400 2.1,401 0.163,402 4.675,403 1.632,404 2.914,405 2.141,406 4.311,407 2.577,408 1.648,409 2.03,411 4.115,412 1.516,413 2.847,414 2.101,415 4.149,416 2.394,417 1.433,418 1.933,420 3.425,421 1.373,422 2.605,423 1.787,424 3.804,425 2.264,426 1.391,427 1.592,428 3.082,429 1.208,430 2.435,431 1.613,432 3.57,433 2.209,434 1.263,435 1.429,436 2.978,437 1.18,438 2.426,439 1.403,440 3.478,441 2.164,442 1.196,443 1.416,445 2.507,446 1.146,447 2.21,448 1.372,449 3.419,450 1.952,451 1,452 1.149,454 2.476,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.033,466 0.46,467 0.725,468 0.02,469 43.25,470 1.169,471 18,472 0.486,473 25.25,474 0.682,475 35.056,476 0.947,477 41.767,478 0.614,479 39.042,480 1.055,481 8.973,482 0.243,483 9.146,484 0.247,485 0.059,487 0.311,493 0.85,494 1.47,495 0.769,496 1.245,497 0.669,498 1.026,499 1.191,500 1.074,501 0.986,502 0.949,503 0.762,504 0.911,505 1.081,506 0.837,507 1.011,508 0.853,509 0.926,510 0.9,511 0.83,512 1.101,513 0.889,514 1.09,515 0.735,516 1.02,517 1.018,518 0.997,519 0.904,520 0.936,521 1.135,522 0.898,523 1.059,524 1.022,525 1.052,526 1.004,527 1.456,528 1.02,529 0.94,530 1.137,531 1.031,532 1.149,533 1.2,534 1.117,535 0.855,536 1.183,537 1.033,538 1.215,539 0.782,540 1.179,541 6,542 0.264,543 3.556,544 2.125,545 2.013,546 1.507,547 1.013,548 0.542,549 0.414,550 0.332,551 21417,552 58968,553 2.133,554 45.6,556 29,559 2,564 1.785,565 2.037,566 3.719,567 0.189,573 107.579,574 1.582,575 3.624,576 4.569,577 5.194,578 5.411,579 5.411,580 3.247,581 4.831,582 5.177,583 3.887,584 2588.94,585 9.134,586 41944.6,591 413.947,592 1.241,593 5.159,594 0.146,595 0.007,596 0.063,597 0.035,598 0.034,599 0.025,600 0.017,601 0.01,602 0.008,603 0.007,604 0.352,605 0.33,606 0.63,607 0.857,608 203.192,609 -0.066,610 -0.234,611 0.061,612 -0.112,613 -0.048,614 -0.015,615 -0.152,616 0.059,617 -0.047,618 0.061,619 -0.051,620 0.04,621 -0.046,622 0.221,623 -0.041,624 0.136,625 -0.039,626 0.063,627 0.015,628 -0.078,629 0.047,630 -0.047,631 0.046,632 -0.002,633 -0.03,634 0.01,635 0.069,636 0.068,637 -0.029,638 0.09,639 -0.02,640 0.034,641 -0.091,642 0.001,643 -0.107,644 -0.052,645 -0.048,646 -0.081,647 -0.102,648 -0.108,649 -0.093,650 -0.115,651 0.029,652 -0.172,653 -0.089,654 -0.183,655 0.062,656 -0.168,657 1.824,658 5.943,659 0.757,660 44.732,661 1.014,662 1.129,663 0.519,664 0.27,665 0.645,666 3.738,667 4.043,668 4.331,669 4.625,670 4.905,671 4.997,672 5.204,673 5.361,674 5.501,675 5.613,676 7.938,677 0.624,678 509.61,679 3.738,680 5.273,681 6.125,682 7.002,683 7.875,684 8.763,685 9.646,686 10.54,687 11.43,688 12.327,689 4.4,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 68,733 15,734 2,735 41,737 72,738 27,739 12,740 6,741 6,742 3,746 5,747 6,752 1,761 16,762 11,766 3,771 2,773 1,775 3,781 31,782 10,783 2,784 10,790 3,794 0.8,795 7,796 1,812 5,816 1,826 1,831 1,836 2,838 1,839 2,840 4,848 37,853 1,854 11,855 1,856 4,859 2,870 10.3,871 1,873 2,874 2,875 2,877 18.167,878 11.933,879 8.25,880 4.087,881 2.903,882 1.341,883 0.959,884 8.508,885 11.42,886 3.932,887 4.443,888 4.977,889 5.54,890 6.098,891 6.424,892 6.884,893 7.297,894 7.675,895 8.003,896 1,897 60,898 13.805,900 5.945,901 7.824,902 26.252,904 21.605,905 2.324,906 86,910 341.362,911 137.277,912 24.259,914 136.973,917 137.277,918 478.335,919 24.259,921 51.501,922 109.017,923 82.128,924 55.863,926 341.362,928 341.362,929 161.537,930 136.973,933 341.362,934 72.29,935 64.683,937 57.75,938 94.311,939 9.476,941 341.362,942 161.232,943 137.277,946 341.362,947 70.944,948 72.582,949 18.011,950 136.973,951 341.362,952 161.232,953 137.277,955 0.568,956 0.332,957 0.189,958 0.11,959 26,960 11,961 0.111,962 8,963 1,964 1.071,965 4.705,966 365.581,967 0.071,968 28,969 184.75,974 25.853,975 12.176,976 6.208,978 161.232,979 10.854,984 3.373,986 60.694,987 639.871,988 50,993 25.643,995 1.528,997 0.236,999 68.967,1000 76.774,1001 0.26,1002 0.595,1003 0.75,1004 0.853,1005 0.889,1006 0.889,1007 5.182,1008 1.818,1009 6.089,1010 5.37,1011 4.727,1012 5.13,1013 2.78,1014 6.893,1015 4.626,1016 6.343,1017 1.648,1018 7.635,1019 4.675,1020 4.205,1021 4.868,1022 1.738,1023 7.766,1024 4.107,1025 7.632,1026 1.433,1027 9.285,1028 4.115,1029 6.301,1030 7.211,1031 3.325,1032 10.904,1033 6.125,1034 8.956,1035 1.391,1036 10.999,1037 3.425,1038 6.635,1039 7.812,1040 3.158,1041 12.64,1042 6.468,1043 10.319,1044 1.263,1045 12.755,1046 3.082,1047 8.165,1048 9.634,1049 4.31,1050 15.28,1051 7.935,1052 11.706,1053 1.196,1054 14.54,1055 2.978,1056 8.912,1057 10.644,1058 4.581,1059 17.378,1060 8.685,1061 13.115,1062 1,1063 16.346,1064 2.507,1065 10.202,1066 12.25,1067 5.508,1068 19.848,1069 9.929,1070 3.229,1071 1,1072 18.167,1073 2.476,1074 11.153,1075 13.463,1076 5.978,1077 22.107,1078 10.874,1079 2.939,1080 11.26,1081 20.001,1082 2.136,1083 12.343,1084 14.973,1085 6.789,1086 24.523,1087 12.032,1088 2.749,1089 9.442,1090 21.844,1091 4.259,1092 13.392,1093 16.29,1094 7.355,1095 26.858,1096 13.07,1097 2.603,1098 8.973,1099 23.695,1100 3.878,1101 14.546,1102 17.756,1103 8.104,1104 29.26,1105 14.199,1106 2.476,1107 8.231,1108 25.553,1109 3.361,1110 15.643,1111 19.127,1112 8.718,1113 31.632,1114 15.283,1115 2.094,1116 7.357,1117 27.417,1118 3.042,1119 16.787,1120 20.575,1121 9.433,1122 34.034,1123 16.406,1124 1.836,1125 5.784,1126 29.286,1127 2.851,1128 17.91,1129 21.975,1130 10.073,1131 36.426,1132 17.513,1133 20081,1134 33457,1135 28.027,1136 43.858,1137 60.835,1138 63.481,1139 61.852,1140 60.286,1141 60.396,1142 72.802,1143 14.595,1144 170.074,1145 57.133,1146 5.574,1147 5.642,1148 6.67,1149 5.311,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 14.324,1156 1.484,1157 1.548,1158 1.509,1159 1.47,1160 1.473,1161 1.776,1162 0.356,1163 4.148,1164 1.393,1165 4.064,1166 4.079,1167 4.028,1168 3.99,1169 7.43,1170 3.996,1171 3.876,1172 3.907,1173 3.827,1174 3.754,1175 7.426,1176 3.766,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 6.457,1182 3.614,1183 3.74,1184 3.784,1185 3.638,1186 3.552,1187 4.921,1188 3.566,1189 3.501,1190 3.547,1191 3.388,1192 3.29,1193 4.766,1194 3.305,1195 3.465,1196 3.493,1197 3.357,1198 3.253,1199 4.627,1200 3.265,1201 3.39,1202 3.42,1203 3.289,1204 3.193,1205 4.609,1206 3.216,1207 3.111,1208 3.206,1209 2.963,1210 2.941,1211 4.391,1212 2.91,1213 0.112,1214 0.089,1215 0.166,1216 0.103,1217 0.079,1218 4.574,1219 0.104,1220 3.642,1221 0.048,1222 6.81,1223 0.275,1224 4.205,1225 0.077,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.074,1234 2.095,1235 1.237,1236 2.087,1237 1.821,1238 1.799,1239 1.952,1240 2.002,1241 1.227,1242 1.988,1243 1.728,1244 1.67,1245 1.93,1246 1.961,1247 1.187,1248 1.954,1249 1.69,1250 1.639,1251 1.868,1252 1.883,1253 1.002,1254 1.878,1255 1.439,1256 1.39,1257 1.716,1258 1.71,1259 0.922,1260 1.71,1261 1.387,1262 1.357,1263 1.56,1264 1.616,1265 0.825,1266 1.596,1267 1.329,1268 1.291,1269 1.518,1270 1.531,1271 0.825,1272 1.528,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.419,1281 5.727,1283 7.242,1285 8.855,1287 10.522,1294 9.335,1295 5.243,1296 2.924,1297 22.826,1300 4.037,1305 42.443,1306 107.579,1307 246.414,1308 310.663,1309 353.193,1310 367.947,1311 367.947,1312 77.007,1313 8.517,1314 113.71,1315 113.71,1316 30,1317 12.853,1318 4,1319 3.322,1320 56.578,1321 174,1322 194,1323 0.155,1324 254.807,1325 462.83,1326 613.488,1327 66917,1329 25.614,1330 0.692,1331 0.557,1332 25.614,1333 20.611,1334 18.119,1335 0.442,1336 0.305,1337 12.231,1338 17.095,1339 12.075,1340 9.814,1341 18.119,1342 12.498,1343 15.845,1344 0.283,1345 0.16,1346 15.845,1347 8.95,1348 13.352,1349 0.178,1350 0.086,1351 13.352,1352 6.451,1353 11.552,1354 0.114,1355 0.045,1356 11.552,1357 4.552,1358 9.816,1359 0.073,1360 0.024,1361 9.816,1362 3.178,1363 0.244,1364 115.893,1365 0.189,1366 33.673,1367 0.425,1368 194,1369 646.186,1370 219.925,1371 590.702,1372 793.95,1373 558,1374 228,1375 558.971,1376 254.568,1377 554.036,1378 821.14,1379 523,1380 5.796}
{0 CHEMBL1669169,1 1.588,2 13.676,3 1.525,4 2.324,5 138.813,6 7.371,7 0.293,8 4.348,9 4.459,10 3.903,11 3.805,12 5.414,13 3.811,14 4.926,15 5.093,16 4.246,17 4.194,18 5.965,19 4.184,20 5.175,21 5.373,22 4.337,23 4.364,24 6.21,25 4.321,26 5.183,27 5.383,28 4.324,29 4.383,30 6.22,31 4.323,32 5.211,33 5.414,34 4.355,35 4.377,36 6.317,37 4.332,38 5.17,39 5.356,40 4.336,41 4.37,42 6.321,43 4.322,44 5.159,45 5.35,46 4.297,47 4.388,48 6.233,49 4.323,50 5.224,51 5.43,52 4.259,53 4.392,54 6.259,55 4.306,56 0.103,57 0.997,58 14.789,59 6.26,60 11.079,61 8.098,62 0.587,63 1.578,64 30.029,65 10.02,66 39.63,67 13.384,68 0.97,69 1.893,70 40.543,71 13.282,72 67.895,73 17.934,74 0.697,75 1.894,76 40.217,77 14.576,78 61.214,79 19.721,80 0.898,81 1.924,82 42.276,83 14.095,84 85.796,85 19.181,86 0.967,87 1.914,88 39.693,89 13.328,90 92.457,91 17.966,92 0.679,93 1.928,94 38.438,95 13.841,96 72.046,97 18.869,98 0.744,99 1.976,100 41.91,101 15.006,102 78.728,103 20.722,104 13,105 56,106 0.25,107 0.569,108 0.722,109 0.818,110 0.851,111 0.851,112 3.642,113 0.921,114 -1.75,115 -1.81,116 -1.83,119 39.1,125 11,135 1,139 1,142 6,143 3,144 3,157 1,158 1,163 1,164 1,165 1,172 8,174 1,175 7,178 1,180 1,183 10,186 3,187 6,189 1,190 3,192 2,195 9,198 2,199 10,204 1,207 8,211 2,212 11,217 2,220 6,222 1,223 3,224 10,227 1,228 1,229 3,231 1,232 3,234 2,236 1,237 7,240 1,242 4,245 1,247 2,249 2,250 7,252 1,253 1,255 2,260 1,262 2,263 8,265 2,266 4,268 3,273 2,275 2746,276 25.576,277 25.576,278 25.576,279 25.576,280 25.576,281 23.734,282 30.491,283 15.55,284 26.363,285 20.284,286 20.284,287 20.284,288 20.284,289 20.284,290 17.264,291 37.724,292 7.405,293 21.515,294 4.52,295 2.493,296 1.517,297 0.909,298 0.696,299 0.696,300 4.352,305 1,306 1107,307 3.606,311 574.065,315 173.138,318 2.08,319 45.788,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 82,331 506,332 4.574,333 3.642,334 6.81,335 4.205,336 3.229,337 4.259,338 1.959,339 11.26,340 3.16,341 4.281,342 3.63,343 6.253,344 3.901,345 2.939,346 3.878,347 1.138,348 9.442,349 2.839,350 4.008,351 3.188,352 6.117,353 3.686,354 2.749,355 3.361,356 0.86,357 8.973,358 2.597,359 3.794,360 3.134,361 5.938,362 3.554,363 2.603,364 3.042,365 0.86,366 8.231,367 2.461,368 3.689,369 2.945,370 5.477,371 3.45,372 2.476,373 2.851,374 0.86,375 7.357,376 2.381,377 3.317,378 2.807,379 5.07,380 3.065,381 2.094,382 2.448,383 0.815,384 5.784,385 2.011,386 3.214,387 2.417,388 4.841,389 2.817,390 1.836,391 2.316,392 0.643,393 5.37,394 1.797,395 3.007,396 2.233,397 4.539,398 2.725,399 1.818,400 2.1,401 0.163,402 4.675,403 1.632,404 2.914,405 2.138,406 4.311,407 2.582,408 1.648,409 2.03,411 4.115,412 1.525,413 2.847,414 2.083,415 4.149,416 2.394,417 1.433,418 1.933,420 3.425,421 1.373,422 2.605,423 1.787,424 3.804,425 2.268,426 1.391,427 1.592,428 3.082,429 1.224,430 2.435,431 1.499,432 3.57,433 2.222,434 1.263,435 1.429,436 2.978,437 1.19,438 2.426,439 1.403,440 3.478,441 2.164,442 1.196,443 1.416,445 2.507,446 1.146,447 2.21,448 1.365,449 3.419,450 1.952,451 1,452 1.149,454 2.476,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.1,466 0.462,467 0.725,468 0.02,469 43.25,470 1.169,471 18,472 0.486,473 25.25,474 0.682,475 35.237,476 0.952,477 41.7,478 0.604,479 38.861,480 1.05,481 8.933,482 0.241,483 9.186,484 0.248,485 0.062,487 0.31,493 0.85,494 1.456,495 0.785,496 1.236,497 0.656,498 1.024,499 1.206,500 1.071,501 0.981,502 0.958,503 0.736,504 0.915,505 1.13,506 0.824,507 1.005,508 0.864,509 0.968,510 0.897,511 0.914,512 1.072,513 0.899,514 1.075,515 0.819,516 1.005,517 1.079,518 1.004,519 0.916,520 0.941,521 1.252,522 0.903,523 1.085,524 1.035,525 1.063,526 1.017,527 1.552,528 1.032,529 0.918,530 1.148,531 1.038,532 1.148,533 1.206,534 1.121,535 0.848,536 1.192,537 1.036,538 1.217,539 0.786,540 1.18,541 6,542 0.264,543 3.556,544 2.125,545 2.013,546 1.507,547 1.013,548 0.542,549 0.414,550 0.332,551 21417,552 56760,553 2.133,554 46.4,556 29,559 3,564 1.785,565 2.037,566 3.719,567 0.809,573 109.596,574 1.588,575 3.616,576 4.591,577 5.199,578 5.413,579 5.413,580 3.247,581 4.831,582 5.177,583 3.887,584 2588.94,585 9.134,586 41944.6,591 421.488,592 1.241,593 5.159,594 0.146,595 0.007,596 0.063,597 0.035,598 0.034,599 0.025,600 0.017,601 0.01,602 0.008,603 0.007,604 0.352,605 0.33,606 0.63,607 0.857,608 203.192,609 -0.062,610 -0.198,611 0.064,612 -0.104,613 -0.048,614 -0.007,615 -0.136,616 0.062,617 -0.03,618 0.058,619 -0.033,620 0.045,621 -0.053,622 0.226,623 -0.026,624 0.13,625 -0.04,626 0.069,627 0.01,628 -0.066,629 0.052,630 -0.029,631 0.05,632 0.012,633 -0.028,634 -0.003,635 0.064,636 0.07,637 -0.03,638 0.086,639 -0.02,640 0.026,641 -0.098,642 -0.006,643 -0.115,644 -0.06,645 -0.039,646 -0.081,647 -0.106,648 -0.106,649 -0.091,650 -0.116,651 0.02,652 -0.178,653 -0.091,654 -0.181,655 0.035,656 -0.166,657 1.793,658 5.957,659 0.757,660 44.732,661 1.011,662 1.131,663 0.519,664 0.27,665 0.644,666 3.738,667 4.043,668 4.331,669 4.625,670 4.905,671 4.997,672 5.204,673 5.361,674 5.501,675 5.613,676 7.938,677 0.62,678 508.63,679 3.738,680 5.273,681 6.125,682 7.002,683 7.875,684 8.763,685 9.646,686 10.54,687 11.43,688 12.327,689 5.8,690 1,692 2,696 1,704 6,709 6,711 12,716 1,729 2,731 69,733 15,734 2,735 41,737 73,738 27,739 12,740 6,741 6,742 3,746 5,747 6,752 1,761 16,762 11,766 3,771 2,773 1,775 3,781 32,782 10,783 3,784 10,790 4,794 0.8,795 6,812 5,816 1,826 1,831 1,833 1,836 2,839 2,840 4,848 37,849 1,854 11,855 1,856 4,859 2,870 8.7,873 2,874 2,875 2,877 18.167,878 12.067,879 8.25,880 4.154,881 2.903,882 1.341,883 0.981,884 8.508,885 11.42,886 3.932,887 4.443,888 4.977,889 5.54,890 6.098,891 6.424,892 6.884,893 7.297,894 7.675,895 8.003,896 1,897 60,898 13.793,900 5.92,901 7.77,902 26.343,904 21.68,905 2.27,906 84,910 341.362,911 139.383,912 57.157,914 94.289,917 139.383,918 435.651,919 57.157,921 86.504,922 66.334,923 82.128,924 55.863,926 341.362,928 341.362,929 196.54,930 94.289,933 341.362,934 72.29,935 22,937 92.753,938 94.311,939 9.476,941 341.362,942 151.446,943 139.383,946 341.362,947 73.049,948 72.582,949 18.011,950 127.187,951 341.362,952 151.446,953 139.383,955 0.568,956 0.332,957 0.189,958 0.11,959 26,960 11,961 0.11,962 8,963 1,964 1.071,965 4.705,966 365.581,967 0.071,968 28,969 182.75,974 25.853,975 12.176,976 6.208,978 151.446,979 11.043,984 3.625,986 50.908,987 632.191,988 50,993 25.682,995 1.542,997 0.301,999 69.741,1000 78.062,1001 0.26,1002 0.592,1003 0.752,1004 0.851,1005 0.886,1006 0.886,1007 5.182,1008 1.818,1009 6.089,1010 5.37,1011 4.727,1012 5.13,1013 2.78,1014 6.893,1015 4.628,1016 6.343,1017 1.648,1018 7.635,1019 4.675,1020 4.205,1021 4.868,1022 1.738,1023 7.766,1024 4.107,1025 7.632,1026 1.433,1027 9.285,1028 4.115,1029 6.301,1030 7.211,1031 3.325,1032 10.904,1033 6.126,1034 8.956,1035 1.391,1036 10.999,1037 3.425,1038 6.635,1039 7.812,1040 3.158,1041 12.64,1042 6.468,1043 10.319,1044 1.263,1045 12.755,1046 3.082,1047 8.165,1048 9.634,1049 4.31,1050 15.28,1051 7.936,1052 11.706,1053 1.196,1054 14.54,1055 2.978,1056 8.912,1057 10.644,1058 4.581,1059 17.378,1060 8.685,1061 13.115,1062 1,1063 16.346,1064 2.507,1065 10.202,1066 12.25,1067 5.508,1068 19.848,1069 9.93,1070 3.229,1071 1,1072 18.167,1073 2.476,1074 11.153,1075 13.463,1076 5.978,1077 22.107,1078 10.874,1079 2.939,1080 11.26,1081 20.001,1082 2.136,1083 12.343,1084 14.973,1085 6.789,1086 24.523,1087 12.032,1088 2.749,1089 9.442,1090 21.844,1091 4.259,1092 13.392,1093 16.29,1094 7.355,1095 26.858,1096 13.07,1097 2.603,1098 8.973,1099 23.695,1100 3.878,1101 14.546,1102 17.756,1103 8.104,1104 29.26,1105 14.199,1106 2.476,1107 8.231,1108 25.553,1109 3.361,1110 15.643,1111 19.127,1112 8.718,1113 31.632,1114 15.283,1115 2.094,1116 7.357,1117 27.417,1118 3.042,1119 16.787,1120 20.575,1121 9.433,1122 34.034,1123 16.406,1124 1.836,1125 5.784,1126 29.286,1127 2.851,1128 17.91,1129 21.975,1130 10.073,1131 36.426,1132 17.513,1133 20081,1134 32837,1135 28.027,1136 44.409,1137 60.835,1138 63.257,1139 61.852,1140 60.301,1141 60.396,1142 72.802,1143 14.595,1144 170.074,1145 57.224,1146 5.574,1147 5.642,1148 6.67,1149 5.311,1150 5.229,1151 7.259,1152 3.43,1153 18.658,1154 5.16,1155 14.324,1156 1.484,1157 1.543,1158 1.509,1159 1.471,1160 1.473,1161 1.776,1162 0.356,1163 4.148,1164 1.396,1165 4.064,1166 4.079,1167 4.029,1168 3.99,1169 7.43,1170 3.996,1171 3.876,1172 3.907,1173 3.827,1174 3.754,1175 7.426,1176 3.767,1177 3.807,1178 3.86,1179 3.702,1180 3.596,1181 5.03,1182 3.614,1183 3.741,1184 3.785,1185 3.638,1186 3.552,1187 4.907,1188 3.566,1189 3.534,1190 3.614,1191 3.388,1192 3.308,1193 4.755,1194 3.315,1195 3.465,1196 3.493,1197 3.376,1198 3.279,1199 4.626,1200 3.291,1201 3.393,1202 3.422,1203 3.296,1204 3.193,1205 4.608,1206 3.217,1207 3.111,1208 3.206,1209 2.965,1210 2.941,1211 4.388,1212 2.91,1213 0.112,1214 0.089,1215 0.166,1216 0.103,1217 0.079,1218 4.574,1219 0.104,1220 3.642,1221 0.048,1222 6.81,1223 0.275,1224 4.205,1225 0.077,1226 3.229,1227 4.259,1228 1.959,1229 11.26,1230 3.16,1231 2.006,1232 1.994,1233 2.075,1234 2.096,1235 1.237,1236 2.087,1237 1.821,1238 1.799,1239 1.952,1240 2.003,1241 1.227,1242 1.988,1243 1.728,1244 1.67,1245 1.93,1246 1.961,1247 1.187,1248 1.955,1249 1.69,1250 1.639,1251 1.871,1252 1.885,1253 1.012,1254 1.881,1255 1.491,1256 1.416,1257 1.769,1258 1.757,1259 0.944,1260 1.765,1261 1.388,1262 1.36,1263 1.56,1264 1.617,1265 0.825,1266 1.596,1267 1.33,1268 1.292,1269 1.518,1270 1.533,1271 0.825,1272 1.528,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.738,1278 1.429,1279 4.419,1281 5.727,1283 7.242,1285 8.855,1287 10.522,1293 5.685,1295 6.095,1296 2.965,1297 22.992,1300 4.071,1305 42.75,1306 109.596,1307 249.49,1308 316.785,1309 358.733,1310 373.488,1311 373.488,1312 74.742,1313 8.517,1314 119.5,1315 119.5,1316 30,1317 12.853,1318 4,1319 3.322,1320 56.578,1321 174,1322 194,1323 0.155,1324 257.605,1325 465.04,1326 620.316,1327 66917,1329 25.614,1330 0.692,1331 0.561,1332 25.614,1333 20.741,1334 18.119,1335 0.442,1336 0.307,1337 12.331,1338 17.136,1339 12.167,1340 9.915,1341 18.119,1342 12.59,1343 15.845,1344 0.283,1345 0.161,1346 15.845,1347 9.015,1348 13.352,1349 0.178,1350 0.086,1351 13.352,1352 6.477,1353 11.552,1354 0.114,1355 0.045,1356 11.552,1357 4.565,1358 9.816,1359 0.073,1360 0.024,1361 9.816,1362 3.193,1363 0.244,1364 115.54,1365 0.189,1366 33.673,1367 0.425,1368 194,1369 623.349,1370 219.18,1371 573.736,1372 776.11,1373 542,1374 228,1375 553.878,1376 254.016,1377 549.623,1378 814.54,1379 519,1380 5.523}
{0 CHEMBL1672314,1 1.557,2 10.467,3 4.377,4 19.16,5 115.351,6 7.833,7 0.676,8 4.06,9 4.171,10 3.68,11 3.608,12 5.19,13 3.608,14 4.571,15 4.726,16 4.03,17 3.987,18 5.681,19 3.969,20 4.811,21 5.012,22 4.057,23 4.107,24 5.848,25 4.056,26 4.796,27 5.029,28 3.962,29 4.035,30 5.798,31 3.968,32 4.725,33 4.945,34 3.978,35 3.988,36 5.802,37 3.941,38 4.687,39 4.884,40 3.97,41 4.004,42 5.708,43 3.961,44 4.777,45 4.988,46 4.008,47 4.075,48 5.819,49 4.008,50 4.841,51 5.055,52 3.939,53 4.118,54 5.8,55 4.027,56 0.048,57 0.777,58 9.529,59 4.304,60 8.704,61 5.319,62 0.266,63 1.266,64 17.978,65 7.087,66 21.969,67 8.892,68 0.382,69 1.539,70 25.299,71 8.923,72 35.041,73 11.848,74 0.312,75 1.525,76 25.871,77 8.832,78 35.351,79 12.386,80 0.436,81 1.434,82 23.76,83 7.703,84 43.386,85 10.782,86 0.227,87 1.399,88 21.507,89 7.526,90 22.79,91 10.127,92 0.457,93 1.475,94 24.552,95 8.982,96 36.873,97 12.346,98 0.245,99 1.488,100 26.669,101 10.579,102 33.431,103 14.171,104 2,105 47,106 0.257,107 0.6,108 0.749,109 0.857,110 0.872,111 0.872,112 3.441,113 0.871,114 -4.21,115 -4.16,116 -3.93,119 45.1,125 4,142 10,143 2,144 2,145 1,146 2,147 1,150 1,172 9,174 3,175 5,178 1,180 4,183 10,186 1,187 5,190 1,192 3,195 8,199 6,202 2,204 3,207 3,211 3,212 7,215 1,217 5,220 2,224 5,229 2,232 2,236 2,237 9,240 3,241 1,242 1,245 5,250 7,258 5,263 7,268 1,271 6,275 1544,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.174,282 22.098,283 12.515,284 21.363,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 12.89,291 36.024,292 6.049,293 17.771,294 4.115,295 2.04,296 1.137,297 0.485,298 0.392,299 0.392,300 4.157,304 1,305 1,306 701,307 2.345,311 435.978,315 134.592,318 1.502,319 23.865,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 64.5,331 314,332 4.419,333 3.19,334 6.32,335 3.987,336 3.039,337 4.338,338 0.86,339 9.735,340 2.904,341 4.364,342 2.967,343 6.184,344 3.898,345 2.92,346 4.044,347 0.8,348 9.235,349 2.856,350 4.026,351 2.883,352 6.033,353 3.672,354 2.727,355 3.57,356 0.4,357 8.707,358 2.556,359 3.739,360 2.658,361 5.509,362 3.418,363 2.474,364 3.095,366 7.435,367 2.33,368 3.582,369 2.426,370 5.1,371 3.19,372 2.233,373 2.89,375 6.243,376 2.131,377 3.35,378 2.272,379 4.926,380 2.932,381 1.98,382 2.642,384 5.698,385 1.881,386 3.118,387 2.029,388 4.432,389 2.627,390 1.724,391 2.427,393 4.412,394 1.564,395 2.936,396 1.618,397 4.39,398 2.586,399 1.618,400 2.09,402 4.313,403 1.549,404 2.874,405 1.521,406 4.134,407 2.396,408 1.405,409 2.001,411 3.563,412 1.391,413 2.789,414 1.397,415 3.616,416 2.319,417 1.354,418 1.887,420 2.999,421 1.302,422 2.549,423 1.337,424 3.492,425 2.065,426 1.118,427 1.572,428 2.616,429 1.057,430 2.201,431 1.256,432 3.469,433 1.952,434 1,435 1.172,436 2.476,437 0.946,438 2.184,439 1.045,440 3.247,441 1.913,442 1,443 1.036,445 2.136,446 0.905,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.671,456 1.367,457 0.185,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 14.167,466 0.472,467 0.602,468 0.02,469 44,470 1.467,471 23.5,472 0.783,473 20.5,474 0.683,475 21.22,476 0.707,477 30.833,478 0.605,479 32.709,480 1.09,481 8.732,482 0.291,483 6.01,484 0.2,485 0.024,487 0.311,493 0.952,494 1.312,495 0.743,496 1.023,497 0.935,498 0.88,499 1.088,500 1.047,501 0.913,502 0.957,503 0.728,504 0.92,505 1.139,506 1.098,507 1.035,508 0.957,509 1.023,510 0.973,511 0.86,512 1.089,513 0.96,514 0.97,515 0.896,516 0.964,517 0.888,518 1.005,519 0.944,520 0.849,521 0.834,522 0.876,523 1.071,524 1.221,525 1.047,526 1.043,527 0.915,528 1.022,529 0.679,530 0.915,531 0.962,532 0.965,533 0.632,534 0.992,535 0.908,536 1.047,537 1.027,538 1.124,539 0.925,540 1.102,541 5.5,542 0.111,543 2.444,544 1.438,545 1.382,546 0.875,547 0.61,548 0.29,549 0.316,550 0.246,551 12294,552 31589,553 2.207,554 41.2,556 18,558 1,559 2,564 1.734,565 2.143,566 3.372,567 0.21,569 1,573 79.403,574 1.557,575 3.633,576 4.536,577 5.187,578 5.28,579 5.28,580 2.727,581 4.574,582 4.879,583 3.533,584 1537.07,585 8.542,586 21329.4,588 1,590 1,591 289.294,592 1.075,593 4.87,594 0.162,595 0.004,596 0.052,597 0.031,598 0.033,599 0.02,600 0.014,601 0.007,602 0.008,603 0.007,604 0.337,605 0.33,606 0.88,607 0.327,608 152.851,609 -0.082,610 -0.193,611 0.052,612 -0.043,613 -0.114,614 0.012,615 -0.029,616 0.05,617 -0.032,618 -0.007,619 0.037,620 -0.026,621 -0.11,622 -0.053,623 -0.086,624 -0.008,625 -0.1,626 -0.04,627 -0.034,628 -0.049,629 0.012,630 -0.027,631 -0.045,632 -0.003,633 0.067,634 0.076,635 0.024,636 0.07,637 0.064,638 0.048,639 -0.167,640 -0.133,641 -0.125,642 -0.112,643 -0.112,644 -0.105,645 0.198,646 0.124,647 -0.016,648 -0.006,649 0.152,650 -0.037,651 -0.062,652 -0.098,653 -0.071,654 -0.111,655 -0.073,656 -0.094,657 1.465,658 3.903,659 0.933,660 27.867,661 1.005,662 1.122,663 2.985,664 8.908,665 0.687,666 3.555,667 3.871,668 4.143,669 4.431,670 4.71,671 4.754,672 4.949,673 5.1,674 5.268,675 5.338,676 6.515,677 0.662,678 399.49,679 3.555,680 5.094,681 5.943,682 6.817,683 7.68,684 8.559,685 9.429,686 10.31,687 11.184,688 12.066,689 9.8,695 1,697 1,699 3,703 2,704 11,705 3,709 6,711 23,724 1,726 1,728 1,731 51,733 23,734 2,735 34,737 55,738 23,739 19,740 4,741 8,746 5,747 6,761 19,762 4,778 1,781 21,782 7,783 2,784 7,790 5,794 0.8,795 2,805 1,806 1,812 5,816 1,839 1,840 4,848 30,853 1,854 4,855 1,856 1,859 1,870 3.9,872 1,874 1,877 14,878 9.083,879 6.5,880 3.006,881 4.144,882 1.522,883 1.013,884 5.18,885 12.086,886 3.839,887 4.46,888 5.064,889 5.684,890 6.292,891 6.557,892 7.015,893 7.451,894 7.896,895 8.145,896 0.857,897 47,898 11.055,900 4.733,901 7.644,902 21.255,904 17.574,905 2.144,906 64.333,908 1,909 1,910 223.651,911 134.849,912 71.492,914 53.683,917 134.849,918 277.334,919 71.492,921 13.396,922 94.762,923 115.811,924 43.599,925 4.227,926 211.88,928 223.651,929 206.341,930 53.683,933 223.651,934 42.683,935 11,937 47.254,938 108.73,939 50.357,941 223.651,942 125.175,943 134.849,946 223.651,947 31.039,948 106.934,949 18.011,950 104.04,951 223.651,952 125.175,953 134.849,955 0.577,956 0.332,957 0.187,958 0.107,959 24,960 9,961 0.073,962 4,963 1,964 1.071,965 4.223,966 278.072,967 0.071,968 28,969 143.207,974 18.798,975 8.267,976 4.231,977 1.998,978 125.175,979 20.797,980 14.007,984 3.914,986 60.694,987 483.675,988 45.5,999 51.232,1000 57.232,1001 0.274,1002 0.64,1003 0.8,1004 0.914,1005 0.931,1006 0.931,1007 5.061,1008 1.618,1009 5.905,1010 4.412,1011 4.554,1012 5.147,1013 1.324,1014 6.683,1015 4.458,1016 6.257,1017 1.405,1018 7.433,1019 4.313,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.863,1025 7.552,1026 1.354,1027 9.057,1028 3.563,1029 6.111,1030 7.36,1031 0.958,1032 10.56,1033 5.929,1034 8.881,1035 1.118,1036 10.739,1037 2.999,1038 6.382,1039 7.896,1040 0.268,1041 12.157,1042 6.154,1043 10.241,1044 1,1045 12.457,1046 2.616,1047 7.929,1048 9.854,1049 0.736,1050 14.74,1051 7.668,1052 11.624,1053 1,1054 14.202,1055 2.476,1056 8.603,1057 10.812,1058 0.188,1059 16.69,1060 8.299,1061 13.024,1062 0.702,1063 15.964,1064 2.136,1065 9.896,1066 12.511,1067 0.57,1068 19.071,1069 9.56,1070 3.039,1071 0.048,1072 17.739,1073 1.626,1074 10.775,1075 13.698,1076 0.125,1077 21.181,1078 10.399,1079 2.92,1080 9.735,1081 19.525,1082 0.134,1083 11.951,1084 15.268,1085 0.439,1086 23.48,1087 11.541,1088 2.727,1089 9.235,1090 21.318,1091 4.338,1092 12.934,1093 16.577,1094 0.082,1095 25.663,1096 12.486,1097 2.474,1098 8.707,1099 23.117,1100 4.044,1101 14.057,1102 18.083,1103 0.334,1104 27.93,1105 13.575,1106 2.233,1107 7.435,1108 24.921,1109 3.57,1110 15.092,1111 19.458,1112 0.054,1113 30.148,1114 14.573,1115 1.98,1116 6.243,1117 26.729,1118 3.095,1119 16.193,1120 20.933,1121 0.252,1122 32.404,1123 15.639,1124 1.724,1125 5.698,1126 28.54,1127 2.89,1128 17.255,1129 22.344,1130 0.035,1131 34.639,1132 16.664,1133 11278,1134 18220,1135 23.75,1136 35.029,1137 50.851,1138 50.96,1139 51.08,1140 50.712,1141 50.682,1142 67.651,1143 4.12,1144 142.655,1145 48.176,1146 5.419,1147 5.19,1148 6.121,1149 5.091,1150 5.039,1151 7.338,1152 1.72,1153 16.249,1154 4.904,1155 7.298,1156 1.496,1157 1.499,1158 1.502,1159 1.492,1160 1.491,1161 1.99,1162 0.121,1163 4.196,1164 1.417,1165 4.08,1166 4.113,1167 4.04,1168 3.999,1169 6.471,1170 4.004,1171 3.974,1172 4.007,1173 3.934,1174 3.888,1175 5.044,1176 3.893,1177 3.802,1178 3.847,1179 3.729,1180 3.625,1181 4.943,1182 3.647,1183 3.646,1184 3.695,1185 3.552,1186 3.467,1187 4.613,1188 3.48,1189 3.443,1190 3.49,1191 3.362,1192 3.329,1193 4.568,1194 3.331,1195 3.111,1196 3.206,1197 2.923,1198 2.941,1199 4.401,1200 2.91,1201 3.006,1202 3.073,1203 2.886,1204 2.86,1205 4.09,1206 2.861,1207 2.969,1208 3.009,1209 2.866,1210 2.793,1211 3.877,1212 2.807,1213 0.13,1214 0.094,1215 0.186,1216 0.117,1217 0.089,1218 4.419,1219 0.128,1220 3.19,1221 0.025,1222 6.32,1223 0.286,1224 3.987,1225 0.085,1226 3.039,1227 4.338,1228 0.86,1229 9.735,1230 2.904,1231 2.033,1232 2.007,1233 2.112,1234 2.129,1235 1.211,1236 2.124,1237 1.935,1238 1.91,1239 2.022,1240 2.054,1241 1.198,1242 2.042,1243 1.739,1244 1.687,1245 1.918,1246 1.942,1247 1.099,1248 1.94,1249 1.59,1250 1.542,1251 1.728,1252 1.784,1253 0.825,1254 1.772,1255 1.423,1256 1.382,1257 1.57,1258 1.57,1259 0.771,1260 1.575,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.62,1266 1.429,1267 0.984,1268 0.926,1269 1.209,1270 1.179,1271 0.267,1272 1.183,1273 0.899,1274 0.856,1275 1.144,1276 1.157,1277 0.243,1278 1.138,1279 4.234,1281 5.549,1283 7.067,1285 8.674,1287 10.324,1294 9.903,1295 2.773,1296 3.366,1297 5.464,1300 2.111,1305 33.751,1306 79.403,1307 185.266,1308 231.32,1309 264.539,1310 269.294,1311 269.294,1312 38.158,1313 7.942,1314 83.4,1315 83.4,1316 30,1317 12.602,1318 4.585,1319 3.644,1320 41.319,1321 115,1322 118,1323 0.17,1324 204.19,1325 344.6,1326 489.983,1327 31061,1329 20.338,1330 0.678,1331 0.544,1332 20.338,1333 16.324,1334 14.742,1335 0.434,1336 0.29,1337 9.729,1338 14.178,1339 9.569,1340 7.872,1341 14.742,1342 9.875,1343 13.243,1344 0.282,1345 0.152,1346 13.243,1347 7.13,1348 11.153,1349 0.18,1350 0.081,1351 11.153,1352 5.013,1353 9.667,1354 0.116,1355 0.042,1356 9.667,1357 3.504,1358 8.274,1359 0.075,1360 0.022,1361 8.274,1362 2.416,1363 0.263,1364 92.285,1365 0.205,1366 28.114,1367 0.477,1368 162,1369 456.799,1370 177.501,1371 444.857,1372 621.38,1373 420,1374 190,1375 467.836,1376 205.781,1377 474.408,1378 695.42,1379 448,1380 6.432}
{0 CHEMBL1672315,1 1.532,2 10.379,3 3.494,4 12.208,5 111.5,6 7.847,7 0.697,8 4.02,9 4.138,10 3.651,11 3.57,12 5.128,13 3.569,14 4.539,15 4.705,16 3.987,17 3.943,18 5.617,19 3.925,20 4.756,21 4.965,22 4.009,23 4.057,24 5.752,25 4.004,26 4.736,27 4.974,28 3.911,29 3.983,30 5.717,31 3.914,32 4.666,33 4.893,34 3.924,35 3.936,36 5.691,37 3.889,38 4.628,39 4.83,40 3.924,41 3.956,42 5.632,43 3.908,44 4.718,45 4.936,46 3.926,47 4.022,48 5.687,49 3.952,50 4.781,51 5.008,52 3.865,53 4.046,54 5.715,55 3.95,56 0.019,57 0.78,58 8.988,59 3.978,60 7.101,61 5.074,62 0.271,63 1.256,64 17.571,65 6.518,66 22.157,67 8.309,68 0.331,69 1.494,70 23.836,71 8.225,72 28.851,73 11.195,74 0.297,75 1.469,76 24.186,77 8.095,78 32.688,79 11.511,80 0.356,81 1.382,82 22.254,83 7.05,84 34.099,85 10.013,86 0.247,87 1.359,88 20.054,89 7.054,90 22.548,91 9.62,92 0.299,93 1.42,94 23.024,95 8.346,96 27.325,97 11.521,98 0.211,99 1.439,100 25.285,101 9.631,102 31.707,103 13.24,105 45,106 0.255,107 0.585,108 0.762,109 0.859,110 0.866,111 0.866,112 3.409,113 0.872,114 -4,115 -3.95,116 -3.74,119 44.9,125 4,142 8,143 2,144 1,145 3,146 2,147 1,150 1,172 7,174 3,175 7,178 1,180 2,183 7,186 1,187 5,190 1,192 1,195 5,198 1,199 7,202 2,204 2,207 3,211 3,212 4,217 3,220 1,223 2,224 5,227 1,229 2,232 2,236 2,237 7,240 1,245 4,250 6,258 4,262 2,263 8,271 4,275 1411,276 20.378,277 20.378,278 20.378,279 20.378,280 20.378,281 17.751,282 19.942,283 12.392,284 20.94,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.479,291 34.862,292 5.993,293 17.303,294 4.083,295 2.098,296 1.036,297 0.449,298 0.408,299 0.408,300 4.128,304 1,305 1,306 676,307 2.236,311 418.296,315 128.959,318 1.47,319 18.875,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62,331 301,332 4.417,333 3.187,334 6.312,335 3.976,336 3.031,337 4.338,338 0.86,339 9.705,340 2.89,341 4.352,342 2.966,343 6.184,344 3.895,345 2.918,346 4.02,347 0.8,348 9.234,349 2.845,350 3.952,351 2.823,352 6.016,353 3.629,354 2.684,355 3.437,356 0.4,357 8.629,358 2.517,359 3.737,360 2.595,361 5.502,362 3.4,363 2.453,364 3.091,366 7.41,367 2.318,368 3.453,369 2.308,370 5.015,371 3.034,372 2.076,373 2.749,375 5.98,376 1.987,377 3.172,378 2.071,379 4.477,380 2.679,381 1.741,382 2.456,384 4.54,385 1.636,386 3.118,387 1.748,388 4.401,389 2.609,390 1.697,391 2.427,393 4.339,394 1.563,395 2.911,396 1.618,397 4.283,398 2.586,399 1.618,400 2.078,402 4.065,403 1.535,404 2.872,405 1.436,406 3.616,407 2.391,408 1.397,409 1.949,411 3.001,412 1.388,413 2.564,414 1.385,415 3.511,416 2.07,417 1.146,418 1.593,420 2.705,421 1.057,422 2.5,423 1.256,424 3.472,425 1.956,426 1,427 1.5,428 2.509,429 0.953,430 2.201,431 1.057,432 3.247,433 1.952,434 1,435 1.171,436 2.136,437 0.946,438 2.184,439 1,440 3.247,441 1.908,442 1,443 1.036,445 2.136,446 0.901,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.671,456 1.367,457 0.185,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 13.733,466 0.474,467 0.496,468 0.017,469 43.25,470 1.491,471 23,472 0.793,473 20.25,474 0.698,475 19.825,476 0.684,477 29.467,478 0.601,479 30.852,480 1.064,481 8.573,482 0.296,483 5.776,484 0.199,487 0.284,493 0.909,494 1.397,495 0.718,496 1.077,497 0.806,498 0.904,499 1.293,500 1.027,501 0.95,502 0.918,503 1.028,504 0.9,505 1.173,506 1.1,507 1.019,508 0.951,509 1.081,510 0.962,511 0.89,512 1.045,513 0.976,514 0.96,515 1.077,516 0.963,517 0.996,518 1.022,519 0.952,520 0.849,521 1.057,522 0.869,523 1.008,524 1.101,525 1.043,526 1.038,527 0.914,528 1.032,529 0.884,530 0.966,531 1.003,532 0.995,533 0.875,534 1.005,535 0.954,536 1.08,537 1.032,538 1.121,539 1.04,540 1.098,541 4.5,542 0.074,543 2.222,544 1.25,545 1.111,546 0.875,547 0.547,548 0.2,549 0.217,550 0.208,551 11405,552 28514,553 2.237,554 40.8,556 16,558 3,559 1,564 1.725,565 2.203,566 3.364,567 -0.336,569 1,573 75.065,574 1.532,575 3.517,576 4.579,577 5.166,578 5.207,579 5.207,580 2.715,581 3.906,582 4.83,583 3.513,584 1426.08,585 8.441,586 19295.6,588 1,590 1,591 275.121,592 0.85,593 4.832,594 0.136,595 0.003,596 0.049,597 0.028,598 0.028,599 0.021,600 0.013,601 0.005,602 0.006,603 0.006,604 0.296,605 0.33,606 0.88,608 146.182,609 -0.038,610 -0.274,611 0.075,612 -0.109,613 -0.012,614 -0.019,615 -0.057,616 0.064,617 -0.052,618 0.019,619 -0.017,620 -0.018,621 -0.094,622 -0.066,623 -0.064,624 -0.002,625 -0.088,626 -0.028,627 -0.005,628 -0.014,629 0.001,630 -0.019,631 -0.04,632 -0.009,633 0.026,634 0.042,635 0.021,636 0.071,637 0.008,638 0.054,639 -0.053,640 -0.021,641 -0.121,642 -0.108,643 -0.041,644 -0.12,645 0.026,646 0.051,647 -0.053,648 -0.027,649 0.015,650 -0.044,651 -0.069,652 -0.137,653 -0.061,654 -0.112,655 -0.089,656 -0.09,657 0.981,658 1.972,659 0.966,660 26.243,661 1.003,662 1.125,663 2.77,664 7.672,665 0.69,666 3.526,667 3.829,668 4.111,669 4.394,670 4.673,671 4.71,672 4.905,673 5.056,674 5.204,675 5.278,676 6.398,677 0.664,678 384.48,679 3.526,680 5.056,681 5.905,682 6.774,683 7.638,684 8.513,685 9.383,686 10.261,687 11.134,688 12.014,689 12.2,695 1,697 1,699 4,703 2,704 11,705 4,709 5,711 23,724 1,726 1,731 49,733 23,734 1,735 33,737 53,738 22,739 18,740 2,741 4,746 5,747 6,761 18,762 4,778 1,781 20,782 7,783 1,784 7,790 6,794 0.8,795 1,805 2,806 1,812 5,816 1,839 1,840 4,848 29,854 4,855 1,856 1,859 1,870 2,874 1,877 13.167,878 8.833,879 6.333,880 2.922,881 4.102,882 1.522,883 1.036,884 4.932,885 11.966,886 3.818,887 4.425,888 5.035,889 5.652,890 6.261,891 6.513,892 6.978,893 7.415,894 7.843,895 8.099,896 0.857,897 45,898 10.669,900 4.524,901 7.557,902 20.65,904 16.979,905 2.057,906 59.667,908 1,909 1,910 223.651,911 133.992,912 88.277,914 11,917 133.992,918 234.651,919 88.277,921 13.396,922 75.81,923 113.455,924 61.693,925 4.227,926 188.338,928 223.651,929 222.269,930 11,933 223.651,935 11,937 65.349,938 89.778,939 67.142,941 223.651,942 99.277,943 133.992,946 223.651,947 31.039,948 106.077,949 18.011,950 78.142,951 223.651,952 99.277,953 133.992,955 0.571,956 0.332,957 0.188,958 0.108,959 23,960 8,961 0.075,962 4,963 1,964 1.071,965 4.181,966 264.74,967 0.071,968 28,969 136.881,974 17.837,975 8.019,976 3.983,977 2.04,978 99.277,979 21.36,980 18.294,984 4.061,986 18.011,987 456.92,988 44.5,999 49.123,1000 55.106,1001 0.273,1002 0.626,1003 0.816,1004 0.92,1005 0.927,1006 0.927,1007 5.029,1008 1.618,1009 5.855,1010 4.339,1011 4.511,1012 5.112,1013 1.324,1014 6.627,1015 4.411,1016 6.214,1017 1.397,1018 7.376,1019 4.065,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.757,1025 7.501,1026 1.146,1027 8.996,1028 3.001,1029 6.057,1030 7.313,1031 0.958,1032 10.507,1033 5.867,1034 8.824,1035 1,1036 10.678,1037 2.705,1038 6.293,1039 7.81,1040 0.268,1041 12.116,1042 6.071,1043 10.18,1044 1,1045 12.399,1046 2.509,1047 7.872,1048 9.803,1049 0.736,1050 14.697,1051 7.6,1052 11.561,1053 1,1054 14.147,1055 2.136,1056 8.531,1057 10.743,1058 0.188,1059 16.656,1060 8.226,1061 12.96,1062 0.702,1063 15.913,1064 2.136,1065 9.84,1066 12.461,1067 0.57,1068 19.034,1069 9.49,1070 3.031,1071 0.048,1072 17.693,1073 1.626,1074 10.713,1075 13.64,1076 0.125,1077 21.147,1078 10.328,1079 2.918,1080 9.705,1081 19.482,1082 0.134,1083 11.896,1084 15.22,1085 0.439,1086 23.443,1087 11.47,1088 2.684,1089 9.234,1090 21.279,1091 4.338,1092 12.876,1093 16.527,1094 0.082,1095 25.627,1096 12.414,1097 2.453,1098 8.629,1099 23.081,1100 4.02,1101 14.002,1102 18.038,1103 0.334,1104 27.892,1105 13.501,1106 2.076,1107 7.41,1108 24.887,1109 3.437,1110 15.036,1111 19.414,1112 0.054,1113 30.108,1114 14.497,1115 1.741,1116 5.98,1117 26.697,1118 3.091,1119 16.138,1120 20.893,1121 0.252,1122 32.362,1123 15.56,1124 1.697,1125 4.54,1126 28.51,1127 2.749,1128 17.199,1129 22.304,1130 0.035,1131 34.595,1132 16.582,1133 10400,1134 16590,1135 23.345,1136 33.819,1137 49.145,1138 49.324,1139 49.063,1140 49.019,1141 49.022,1142 65.815,1143 4.12,1144 136.296,1145 46.504,1146 5.417,1147 5.187,1148 6.114,1149 5.08,1150 5.031,1151 7.338,1152 1.72,1153 16.172,1154 4.89,1156 1.489,1157 1.495,1158 1.487,1159 1.485,1160 1.486,1161 1.994,1162 0.125,1163 4.13,1164 1.409,1165 4.078,1166 4.112,1167 4.038,1168 3.997,1169 5.058,1170 4.002,1171 3.96,1172 4.002,1173 3.922,1174 3.845,1175 4.964,1176 3.858,1177 3.782,1178 3.836,1179 3.703,1180 3.596,1181 4.824,1182 3.617,1183 3.636,1184 3.689,1185 3.545,1186 3.459,1187 4.598,1188 3.472,1189 3.439,1190 3.488,1191 3.358,1192 3.322,1193 4.405,1194 3.325,1195 3.111,1196 3.206,1197 2.916,1198 2.941,1199 4.096,1200 2.91,1201 3.004,1202 3.072,1203 2.866,1204 2.86,1205 3.922,1206 2.86,1207 2.944,1208 3.004,1209 2.851,1210 2.782,1211 3.851,1212 2.786,1213 0.134,1214 0.097,1215 0.191,1216 0.12,1217 0.092,1218 4.417,1219 0.131,1220 3.187,1221 0.026,1222 6.312,1223 0.294,1224 3.976,1225 0.088,1226 3.031,1227 4.338,1228 0.86,1229 9.705,1230 2.89,1231 2.033,1232 2.007,1233 2.112,1234 2.128,1235 1.21,1236 2.124,1237 1.903,1238 1.868,1239 1.991,1240 2.05,1241 1.198,1242 2.034,1243 1.721,1244 1.666,1245 1.909,1246 1.933,1247 1.027,1248 1.929,1249 1.58,1250 1.53,1251 1.717,1252 1.776,1253 0.825,1254 1.763,1255 1.419,1256 1.375,1257 1.566,1258 1.568,1259 0.745,1260 1.572,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.608,1266 1.429,1267 0.984,1268 0.926,1269 1.209,1270 1.178,1271 0.266,1272 1.182,1273 0.897,1274 0.844,1275 1.122,1276 1.142,1277 0.243,1278 1.137,1279 4.205,1281 5.509,1283 7.024,1285 8.627,1287 10.275,1295 2.899,1296 3.394,1297 5.472,1300 2.146,1305 32.531,1306 75.065,1307 172.312,1308 224.366,1309 253.121,1310 255.121,1311 255.121,1312 32.141,1313 7.864,1314 76.06,1315 76.06,1316 30,1317 12.551,1318 4.585,1319 3.644,1320 39.362,1321 109,1322 111,1323 0.17,1324 197.396,1325 329.51,1326 473.405,1327 28382,1329 19.468,1330 0.671,1331 0.546,1332 19.468,1333 15.824,1334 14.348,1335 0.435,1336 0.291,1337 9.443,1338 13.78,1339 9.289,1340 7.648,1341 14.348,1342 9.591,1343 12.609,1344 0.28,1345 0.152,1346 12.609,1347 6.821,1348 10.826,1349 0.18,1350 0.08,1351 10.826,1352 4.828,1353 9.363,1354 0.117,1355 0.042,1356 9.363,1357 3.353,1358 8.044,1359 0.076,1360 0.022,1361 8.044,1362 2.309,1363 0.264,1364 89.845,1365 0.207,1366 27.364,1367 0.478,1368 156,1369 436.294,1370 170.785,1371 425.685,1372 599.09,1373 404,1374 183,1375 452.918,1376 198.619,1377 459.738,1378 673.61,1379 434,1380 6.529}
{0 CHEMBL1672316,1 1.555,2 10.867,3 3.287,4 10.801,5 116.514,6 7.833,7 0.676,8 4.063,9 4.188,10 3.684,11 3.59,12 5.191,13 3.594,14 4.573,15 4.741,16 4.032,17 3.968,18 5.679,19 3.953,20 4.796,21 5.005,22 4.055,23 4.088,24 5.824,25 4.041,26 4.789,27 5.028,28 3.943,29 4.023,30 5.782,31 3.952,32 4.718,33 4.953,34 3.949,35 3.967,36 5.726,37 3.916,38 4.65,39 4.85,40 3.973,41 3.978,42 5.691,43 3.936,44 4.759,45 4.977,46 3.976,47 4.054,48 5.754,49 3.99,50 4.833,51 5.061,52 3.948,53 4.085,54 5.807,55 3.993,56 0.047,57 0.835,58 9.587,59 3.99,60 9.03,61 5.173,62 0.301,63 1.313,64 18.283,65 6.746,66 24.416,67 8.765,68 0.374,69 1.561,70 24.779,71 8.187,72 32.625,73 11.357,74 0.334,75 1.527,76 25.564,77 8.371,78 36.663,79 12.113,80 0.386,81 1.423,82 23.947,83 7.474,84 34.805,85 10.908,86 0.275,87 1.397,88 20.44,89 7.154,90 24.424,91 9.899,92 0.339,93 1.484,94 23.964,95 8.331,96 29.532,97 11.664,98 0.283,99 1.522,100 26.659,101 10.109,102 36.773,103 14.081,104 2,105 47,106 0.257,107 0.607,108 0.775,109 0.859,110 0.866,111 0.866,112 3.441,113 0.865,114 -4.06,115 -4.01,116 -3.8,119 43.1,125 4,142 8,143 2,144 1,145 2,146 2,147 2,150 1,163 1,164 1,165 1,172 7,174 3,175 7,177 1,178 2,180 3,183 7,185 1,186 1,187 5,190 1,192 2,195 5,197 1,198 1,199 7,202 2,204 3,207 3,209 1,211 3,212 4,217 3,220 1,223 2,224 5,226 1,227 2,229 3,232 2,234 1,236 2,237 7,240 1,245 4,250 6,252 2,253 2,254 1,257 1,258 4,262 2,263 8,271 4,275 1560,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.174,282 23.104,283 12.478,284 21.41,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 12.884,291 37.362,292 6.03,293 17.818,294 4.118,295 1.999,296 0.98,297 0.471,298 0.431,299 0.431,300 4.157,304 1,305 1,306 728,307 2.345,311 438.974,315 135.495,318 1.493,319 22.132,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 64.5,331 326,332 4.418,333 3.188,334 6.313,335 3.98,336 3.034,337 4.338,338 0.86,339 9.709,340 2.893,341 4.358,342 2.966,343 6.184,344 3.896,345 2.919,346 4.033,347 0.8,348 9.234,349 2.849,350 4.009,351 2.843,352 6.02,353 3.653,354 2.711,355 3.553,356 0.4,357 8.645,358 2.536,359 3.74,360 2.625,361 5.504,362 3.414,363 2.471,364 3.097,366 7.418,367 2.326,368 3.627,369 2.392,370 5.079,371 3.222,372 2.275,373 2.957,375 6.193,376 2.153,377 3.377,378 2.27,379 4.959,380 2.962,381 2.008,382 2.669,384 5.813,385 1.912,386 3.118,387 2.033,388 4.442,389 2.628,390 1.725,391 2.427,393 4.435,394 1.565,395 2.941,396 1.618,397 4.394,398 2.586,399 1.618,400 2.094,402 4.321,403 1.55,404 2.874,405 1.51,406 4.185,407 2.396,408 1.405,409 1.998,411 3.675,412 1.391,413 2.742,414 1.394,415 3.616,416 2.271,417 1.325,418 1.825,420 2.999,421 1.249,422 2.5,423 1.256,424 3.491,425 1.959,426 1.048,427 1.5,428 2.594,429 0.956,430 2.202,431 1.255,432 3.414,433 1.952,434 1,435 1.175,436 2.275,437 0.946,438 2.184,439 1,440 3.247,441 1.928,442 1,443 1.036,445 2.136,446 0.916,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.367,457 0.186,458 2.968,459 0.991,460 0.048,461 0.061,463 0.134,464 0.045,465 14.133,466 0.471,467 0.602,468 0.02,469 44.5,470 1.483,471 23.5,472 0.783,473 21,474 0.7,475 20.962,476 0.699,477 30.867,478 0.605,479 32.778,480 1.093,481 8.795,482 0.293,483 5.947,484 0.198,485 0.028,487 0.311,493 0.99,494 1.371,495 0.743,496 1.043,497 1.025,498 0.882,499 1.185,500 1.033,501 0.903,502 0.934,503 0.819,504 0.898,505 1.203,506 1.112,507 1.039,508 0.958,509 1.041,510 0.971,511 0.888,512 1.054,513 1.005,514 0.998,515 1.045,516 1.004,517 0.921,518 1,519 0.907,520 0.845,521 0.875,522 0.854,523 0.935,524 1.113,525 1.006,526 1.063,527 0.734,528 1.039,529 0.937,530 0.985,531 1.025,532 1.001,533 0.934,534 1.013,535 0.799,536 1.063,537 0.97,538 1.15,539 0.815,540 1.106,541 5.5,542 0.124,543 2.667,544 1.313,545 1.302,546 0.986,547 0.625,548 0.302,549 0.303,550 0.287,551 12402,552 31733,553 2.207,554 41.2,556 16,558 2,559 3,564 1.734,565 2.143,566 3.416,567 0.9,569 1,573 79.296,574 1.555,575 3.673,576 4.692,577 5.202,578 5.241,579 5.241,580 2.836,581 4.44,582 4.878,583 3.561,584 1549.1,585 8.539,586 21517.4,588 1,590 1,591 289.294,592 1.075,593 4.87,594 0.162,595 0.004,596 0.057,597 0.028,598 0.032,599 0.023,600 0.015,601 0.007,602 0.007,603 0.008,604 0.343,605 0.33,606 0.88,607 0.327,608 153.104,609 -0.095,610 -0.21,611 0.057,612 -0.058,613 -0.139,614 0.012,615 -0.004,616 0.065,617 -0.008,618 0.025,619 0.086,620 0.001,621 -0.133,622 -0.066,623 -0.092,624 -0.006,625 -0.1,626 -0.039,627 -0.029,628 -0.033,629 -0.036,630 -0.046,631 -0.095,632 -0.041,633 0.04,634 0.03,635 0.07,636 0.097,637 0.021,638 0.095,639 -0.007,640 -0.029,641 -0.093,642 -0.116,643 0.061,644 -0.118,645 -0.02,646 0.046,647 -0.083,648 -0.031,649 -0.068,650 -0.056,651 0.067,652 -0.117,653 -0.004,654 -0.13,655 0.065,656 -0.092,657 1.193,658 1.971,659 0.933,660 28.533,661 1.004,662 1.129,663 2.833,664 8.028,665 0.683,666 3.555,667 3.871,668 4.143,669 4.419,670 4.71,671 4.762,672 4.934,673 5.106,674 5.257,675 5.357,676 6.587,677 0.658,678 399.5,679 3.555,680 5.094,681 5.943,682 6.815,683 7.678,684 8.555,685 9.425,686 10.305,687 11.178,688 12.059,689 13.7,693 1,695 1,697 1,699 4,703 2,704 10,705 4,709 6,711 23,722 1,724 1,726 1,731 51,733 23,734 1,735 34,737 55,738 22,739 18,740 2,741 4,746 5,747 6,761 18,762 4,778 1,781 21,782 8,783 3,784 8,790 7,794 0.8,795 1,805 2,806 1,812 5,816 1,839 1,840 4,848 30,849 1,854 4,855 1,856 1,859 1,870 2,874 1,877 14,878 9.083,879 6.5,880 2.961,881 4.136,882 1.521,883 1.04,884 5.138,885 12.077,886 3.839,887 4.46,888 5.064,889 5.676,890 6.292,891 6.564,892 7.006,893 7.46,894 7.887,895 8.172,896 1,897 47,898 11.026,900 4.691,901 7.611,902 21.217,904 17.453,905 2.111,906 63.333,909 1,910 211.88,911 127.272,912 121.174,914 11,917 127.272,918 222.88,919 121.174,921 13.396,922 108.707,923 101.684,924 52.646,925 6.555,926 188.338,928 211.88,929 248.446,930 11,933 211.88,935 11,937 56.302,938 125.003,939 67.142,941 211.88,942 132.174,943 127.272,946 211.88,947 33.367,948 97.029,949 18.011,950 111.039,951 211.88,952 132.174,953 127.272,955 0.578,956 0.332,957 0.183,958 0.107,959 24,960 9,961 0.073,962 4,963 1,964 1.071,965 4.238,966 277.185,967 0.071,968 28,969 143.207,974 18.737,975 8.227,976 4.206,977 2.015,978 132.174,979 19.197,980 18.244,984 4.332,986 50.908,987 471.326,988 45.5,999 51.225,1000 57.604,1001 0.274,1002 0.648,1003 0.827,1004 0.917,1005 0.924,1006 0.924,1007 5.061,1008 1.618,1009 5.905,1010 4.435,1011 4.554,1012 5.147,1013 1.324,1014 6.681,1015 4.451,1016 6.257,1017 1.405,1018 7.433,1019 4.321,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.864,1025 7.552,1026 1.325,1027 9.057,1028 3.675,1029 6.111,1030 7.36,1031 0.958,1032 10.55,1033 5.917,1034 8.881,1035 1.048,1036 10.737,1037 2.999,1038 6.382,1039 7.896,1040 0.268,1041 12.148,1042 6.15,1043 10.241,1044 1,1045 12.455,1046 2.594,1047 7.927,1048 9.852,1049 0.736,1050 14.723,1051 7.649,1052 11.623,1053 1,1054 14.198,1055 2.275,1056 8.598,1057 10.808,1058 0.188,1059 16.673,1060 8.284,1061 13.022,1062 0.702,1063 15.959,1064 2.136,1065 9.89,1066 12.507,1067 0.57,1068 19.049,1069 9.534,1070 3.034,1071 0.048,1072 17.733,1073 1.626,1074 10.765,1075 13.691,1076 0.125,1077 21.158,1078 10.373,1079 2.919,1080 9.709,1081 19.517,1082 0.134,1083 11.939,1084 15.26,1085 0.439,1086 23.454,1087 11.508,1088 2.711,1089 9.234,1090 21.309,1091 4.338,1092 12.919,1093 16.568,1094 0.082,1095 25.636,1096 12.452,1097 2.471,1098 8.645,1099 23.107,1100 4.033,1101 14.041,1102 18.073,1103 0.334,1104 27.9,1105 13.535,1106 2.275,1107 7.418,1108 24.91,1109 3.553,1110 15.074,1111 19.447,1112 0.054,1113 30.116,1114 14.531,1115 2.008,1116 6.193,1117 26.717,1118 3.097,1119 16.173,1120 20.922,1121 0.252,1122 32.369,1123 15.592,1124 1.725,1125 5.813,1126 28.527,1127 2.957,1128 17.233,1129 22.332,1130 0.035,1131 34.602,1132 16.614,1133 11378,1134 18348,1135 23.75,1136 34.824,1137 50.769,1138 50.873,1139 51.074,1140 50.586,1141 50.576,1142 67.525,1143 4.12,1144 142.413,1145 47.919,1146 5.418,1147 5.188,1148 6.115,1149 5.084,1150 5.034,1151 7.338,1152 1.72,1153 16.18,1154 4.893,1155 7.485,1156 1.493,1157 1.496,1158 1.502,1159 1.488,1160 1.488,1161 1.986,1162 0.121,1163 4.189,1164 1.409,1165 4.078,1166 4.113,1167 4.039,1168 3.998,1169 5.183,1170 4.002,1171 3.965,1172 4.006,1173 3.928,1174 3.849,1175 5.03,1176 3.863,1177 3.792,1178 3.847,1179 3.722,1180 3.6,1181 4.934,1182 3.624,1183 3.644,1184 3.698,1185 3.551,1186 3.462,1187 4.606,1188 3.475,1189 3.443,1190 3.493,1191 3.363,1192 3.325,1193 4.53,1194 3.328,1195 3.111,1196 3.206,1197 2.961,1198 2.941,1199 4.399,1200 2.91,1201 3.055,1202 3.147,1203 2.906,1204 2.86,1205 4.088,1206 2.866,1207 2.999,1208 3.066,1209 2.866,1210 2.838,1211 3.877,1212 2.85,1213 0.13,1214 0.094,1215 0.186,1216 0.117,1217 0.089,1218 4.418,1219 0.128,1220 3.188,1221 0.025,1222 6.313,1223 0.286,1224 3.98,1225 0.085,1226 3.034,1227 4.338,1228 0.86,1229 9.709,1230 2.893,1231 2.033,1232 2.007,1233 2.112,1234 2.129,1235 1.21,1236 2.124,1237 1.905,1238 1.869,1239 1.986,1240 2.053,1241 1.198,1242 2.036,1243 1.724,1244 1.668,1245 1.906,1246 1.942,1247 1.027,1248 1.933,1249 1.583,1250 1.532,1251 1.716,1252 1.787,1253 0.825,1254 1.77,1255 1.421,1256 1.378,1257 1.567,1258 1.573,1259 0.743,1260 1.577,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.605,1266 1.429,1267 0.987,1268 0.927,1269 1.228,1270 1.287,1271 0.265,1272 1.281,1273 0.975,1274 0.906,1275 1.209,1276 1.178,1277 0.243,1278 1.181,1279 4.234,1281 5.549,1283 7.067,1285 8.673,1287 10.321,1293 5.744,1295 2.823,1296 3.38,1297 5.471,1300 2.127,1305 33.552,1306 79.296,1307 187.32,1308 239.294,1309 265.294,1310 267.294,1311 267.294,1312 35.363,1313 7.942,1314 102.08,1315 102.08,1316 30,1317 12.596,1318 4.585,1319 3.644,1320 41.338,1321 116,1322 118,1323 0.168,1324 204.19,1325 340.51,1326 489.983,1327 31061,1329 20.338,1330 0.678,1331 0.544,1332 20.338,1333 16.324,1334 14.742,1335 0.434,1336 0.288,1337 9.644,1338 14.142,1339 9.487,1340 7.811,1341 14.742,1342 9.8,1343 13.231,1344 0.282,1345 0.15,1346 13.231,1347 7.051,1348 11.236,1349 0.181,1350 0.08,1351 11.236,1352 4.953,1353 9.515,1354 0.116,1355 0.041,1356 9.515,1357 3.395,1358 8.268,1359 0.075,1360 0.021,1361 8.268,1362 2.364,1363 0.261,1364 92.45,1365 0.205,1366 28.169,1367 0.471,1368 162,1369 453.606,1370 178.2,1371 444.178,1372 624.08,1373 420,1374 190,1375 474.115,1376 206.618,1377 481.245,1378 704.69,1379 454,1380 6.734}
{0 CHEMBL1672317,1 1.576,2 11.031,3 3.197,4 10.222,5 121.467,6 8.164,7 0.73,8 4.103,9 4.224,10 3.767,11 3.638,12 5.233,13 3.651,14 4.623,15 4.785,16 4.126,17 4.031,18 5.724,19 4.029,20 4.824,21 5.025,22 4.133,23 4.134,24 5.86,25 4.095,26 4.819,27 5.054,28 4.023,29 4.069,30 5.815,31 4.01,32 4.732,33 4.956,34 4.012,35 4.007,36 5.759,37 3.966,38 4.694,39 4.891,40 4.055,41 4.031,42 5.736,43 3.997,44 4.796,45 5.007,46 4.077,47 4.104,48 5.79,49 4.053,50 4.87,51 5.092,52 4.075,53 4.135,54 5.855,55 4.067,56 0.08,57 0.882,58 8.956,59 4.019,60 7.829,61 4.943,62 0.344,63 1.407,64 17.759,65 6.703,66 22.2,67 8.269,68 0.414,69 1.636,70 23.989,71 8.442,72 31.07,73 11.163,74 0.392,75 1.601,76 25.473,77 8.462,78 35.564,79 11.804,80 0.408,81 1.476,82 22.956,83 7.523,84 33.901,85 10.467,86 0.336,87 1.481,88 20.159,89 7.293,90 24.282,91 9.667,92 0.352,93 1.568,94 23.618,95 8.596,96 27.477,97 11.66,98 0.412,99 1.638,100 26.496,101 9.961,102 36.003,103 13.469,105 52,106 0.257,107 0.623,108 0.783,109 0.86,110 0.866,111 0.866,112 3.503,113 0.847,114 -4.28,115 -4.22,116 -3.98,119 44.2,125 4,142 7,143 3,144 1,145 3,146 2,147 1,150 1,161 1,168 1,172 7,174 3,175 8,178 2,180 3,183 7,186 2,187 6,190 1,192 2,195 5,198 1,199 8,202 2,204 3,207 3,211 3,212 4,217 3,220 1,223 3,224 6,227 2,229 3,232 2,236 2,237 7,240 1,245 4,249 2,250 6,253 3,254 1,258 4,262 2,263 8,271 4,275 1816,276 22.48,277 22.48,278 22.48,279 22.48,280 22.48,281 19.468,282 19.942,283 13.388,284 23.097,285 18.368,286 18.368,287 18.368,288 18.368,289 18.368,290 13.79,291 34.862,292 6.454,293 19.372,294 4.125,295 1.877,296 0.892,297 0.423,298 0.385,299 0.385,300 4.231,304 1,305 1,306 808,307 2.449,310 74.868,311 436.723,314 126.203,315 141.838,318 1.535,319 22.572,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 69,331 353,332 4.48,333 3.193,334 6.356,335 4.026,336 3.068,337 4.393,338 0.86,339 9.841,340 2.955,341 4.41,342 2.977,343 6.19,344 3.91,345 2.933,346 4.337,347 0.8,348 9.258,349 2.868,350 4.272,351 2.962,352 6.173,353 3.82,354 2.879,355 3.941,356 0.4,357 9.191,358 2.704,359 3.834,360 2.728,361 5.942,362 3.532,363 2.586,364 3.229,366 8.379,367 2.436,368 3.734,369 2.523,370 5.498,371 3.374,372 2.421,373 3.085,375 7.389,376 2.302,377 3.405,378 2.291,379 5.009,380 2.989,381 2.032,382 2.698,384 5.953,385 1.941,386 3.118,387 2.041,388 4.475,389 2.629,390 1.725,391 2.427,393 4.488,394 1.565,395 3.034,396 1.618,397 4.406,398 2.586,399 1.618,400 2.301,402 4.337,403 1.552,404 2.966,405 1.536,406 4.372,407 2.476,408 1.534,409 2.134,411 4.236,412 1.442,413 2.876,414 1.527,415 4.2,416 2.402,417 1.427,418 2.049,420 3.759,421 1.394,422 2.825,423 1.396,424 3.616,425 2.345,426 1.38,427 1.903,428 3,429 1.322,430 2.524,431 1.308,432 3.492,433 2.006,434 1.086,435 1.535,436 2.606,437 0.998,438 2.203,439 1.256,440 3.434,441 1.952,442 1,443 1.175,445 2.353,446 0.946,447 2.184,448 1.022,449 3.247,450 1.916,451 1,452 1.036,454 2.136,455 0.908,456 2,457 0.718,458 3.19,459 1.661,460 0.702,461 1,463 1.626,464 0.672,465 15.033,466 0.47,467 0.615,468 0.019,469 47.75,470 1.492,471 25,472 0.781,473 22.75,474 0.711,475 22.904,476 0.716,477 32.367,478 0.622,479 35.259,480 1.102,481 9.407,482 0.294,483 6.408,484 0.2,487 0.326,493 0.898,494 1.329,495 0.687,496 1.033,497 0.794,498 0.86,499 1.215,500 1.025,501 0.897,502 0.897,503 0.988,504 0.865,505 1.113,506 1.121,507 1.02,508 0.998,509 1.017,510 0.998,511 0.914,512 1.01,513 0.995,514 0.954,515 1.099,516 0.969,517 0.916,518 1.028,519 0.933,520 0.889,521 0.993,522 0.896,523 0.915,524 1.053,525 0.992,526 1.03,527 0.851,528 1.017,529 0.869,530 1.054,531 0.961,532 1.031,533 0.872,534 1.009,535 0.823,536 0.963,537 0.967,538 1.08,539 0.921,540 1.061,541 5.5,542 0.117,543 2.889,544 1.444,545 1.448,546 0.906,547 0.636,548 0.326,549 0.341,550 0.271,551 15408,552 39754,553 2.27,554 38.5,556 15,558 3,559 2,564 1.75,565 2.233,566 3.442,567 0.239,569 1,573 81.942,574 1.576,575 3.823,576 4.808,577 5.277,578 5.316,579 5.316,580 2.859,581 4.563,582 4.972,583 3.604,584 1787.34,585 8.728,586 25939.6,588 1,591 296.423,592 0.896,593 4.972,594 0.149,595 0.003,596 0.056,597 0.028,598 0.032,599 0.02,600 0.014,601 0.007,602 0.007,603 0.006,604 0.322,605 0.17,606 0.88,608 166.542,609 -0.025,610 -0.19,611 0.072,612 -0.077,613 -0.011,614 -0.002,615 -0.062,616 0.066,617 -0.031,618 0.042,619 -0.013,620 0.008,621 -0.09,622 -0.094,623 -0.085,624 -0.04,625 -0.05,626 -0.062,627 -0.053,628 -0.003,629 -0.015,630 0.004,631 -0.088,632 0.004,633 0.016,634 -0.005,635 0.036,636 0.061,637 0.008,638 0.059,639 0.001,640 0.014,641 -0.087,642 -0.09,643 0.016,644 -0.102,645 0.014,646 -0.047,647 -0.02,648 -0.053,649 0.006,650 -0.041,651 0.102,652 -0.001,653 0.009,654 -0.078,655 0.03,656 -0.06,657 1.005,658 2.001,659 0.969,660 31.188,661 1.009,662 1.129,663 3.05,664 9.303,665 0.694,666 3.638,667 3.97,668 4.277,669 4.575,670 4.836,671 4.927,672 5.136,673 5.318,674 5.468,675 5.609,676 6.809,677 0.674,678 424.51,679 3.638,680 5.187,681 6.052,682 6.934,683 7.811,684 8.697,685 9.578,686 10.466,687 11.35,688 12.239,689 15.4,695 1,697 2,699 5,703 4,704 10,705 5,706 1,709 5,711 27,724 1,726 1,731 52,733 27,734 1,735 37,737 57,738 23,739 19,740 2,741 4,746 6,747 8,761 19,762 4,778 1,781 20,782 8,783 2,784 9,790 8,794 0.667,795 1,803 1,805 2,806 1,811 1,812 5,815 1,816 1,839 1,840 4,848 32,854 4,855 1,856 1,859 1,870 1.9,874 1,877 14.333,878 9.45,879 6.861,880 3.092,881 5.072,882 1.605,883 1.067,884 4.871,885 13.456,886 3.942,887 4.598,888 5.252,889 5.898,890 6.485,891 6.841,892 7.338,893 7.822,894 8.211,895 8.586,896 1,897 51,898 11.767,900 5.084,901 7.578,902 22.702,904 18.976,905 2.078,906 66.5,909 1,910 211.88,911 128.804,912 121.603,914 11,917 128.804,918 222.88,919 121.603,921 13.396,922 66.334,923 131.834,924 80.929,925 4.227,926 176.567,928 211.88,929 250.407,930 11,933 211.88,935 11,937 83.727,938 82.874,939 83.805,941 211.88,942 132.603,943 128.804,946 211.88,947 35.328,948 96.6,949 34.674,950 94.805,951 211.88,952 132.603,953 128.804,955 0.58,956 0.341,957 0.192,958 0.105,959 28,960 10,961 0.07,962 4,963 2,964 1.129,965 4.45,966 312.367,967 0.129,968 31,969 156,974 19.115,975 8.154,976 3.898,977 3.698,978 115.94,979 19.436,980 22.709,981 2.885,984 3.906,986 34.674,987 473.287,988 50.5,999 52.443,1000 58.687,1001 0.276,1002 0.671,1003 0.843,1004 0.926,1005 0.933,1006 0.933,1007 5.169,1008 1.618,1009 6.019,1010 4.488,1011 4.654,1012 5.286,1013 1.324,1014 6.817,1015 4.555,1016 6.377,1017 1.534,1018 7.559,1019 4.337,1020 4.111,1021 5.047,1022 0.325,1023 7.627,1024 3.983,1025 7.684,1026 1.427,1027 9.195,1028 4.236,1029 6.232,1030 7.557,1031 0.958,1032 10.736,1033 6.048,1034 9.028,1035 1.38,1036 10.89,1037 3.759,1038 6.538,1039 8.19,1040 0.268,1041 12.372,1042 6.327,1043 10.405,1044 1.086,1045 12.622,1046 3,1047 8.079,1048 10.124,1049 0.736,1050 14.951,1051 7.817,1052 11.805,1053 1,1054 14.379,1055 2.606,1056 8.788,1057 11.178,1058 0.188,1059 16.926,1060 8.498,1061 13.223,1062 1,1063 16.153,1064 2.353,1065 10.075,1066 12.857,1067 0.57,1068 19.306,1069 9.741,1070 3.068,1071 0.702,1072 17.94,1073 2.136,1074 10.981,1075 14.121,1076 0.125,1077 21.43,1078 10.617,1079 2.933,1080 9.841,1081 19.735,1082 1.626,1083 12.154,1084 15.684,1085 0.439,1086 23.731,1087 11.751,1088 2.879,1089 9.258,1090 21.537,1091 4.393,1092 13.156,1093 17.05,1094 0.082,1095 25.922,1096 12.721,1097 2.586,1098 9.191,1099 23.343,1100 4.337,1101 14.28,1102 18.56,1103 0.334,1104 28.193,1105 13.809,1106 2.421,1107 8.379,1108 25.154,1109 3.941,1110 15.329,1111 19.977,1112 0.054,1113 30.417,1114 14.824,1115 2.032,1116 7.389,1117 26.968,1118 3.229,1119 16.433,1120 21.463,1121 0.252,1122 32.676,1123 15.894,1124 1.725,1125 5.953,1126 28.785,1127 3.085,1128 17.505,1129 22.905,1130 0.035,1131 34.917,1132 16.932,1133 13751,1134 22269,1135 26.235,1136 36.068,1137 55.862,1138 55.963,1139 55.65,1140 55.678,1141 55.699,1142 75.828,1143 4.12,1144 159.394,1145 52.869,1146 5.48,1147 5.193,1148 6.158,1149 5.13,1150 5.068,1151 7.393,1152 1.72,1153 16.418,1154 4.955,1156 1.51,1157 1.513,1158 1.504,1159 1.505,1160 1.505,1161 2.049,1162 0.111,1163 4.308,1164 1.429,1165 4.113,1166 4.157,1167 4.081,1168 4.006,1169 5.169,1170 4.015,1171 4.048,1172 4.084,1173 4.011,1174 3.947,1175 5.024,1176 3.961,1177 3.872,1178 3.93,1179 3.829,1180 3.676,1181 4.928,1182 3.707,1183 3.678,1184 3.731,1185 3.575,1186 3.484,1187 4.602,1188 3.498,1189 3.467,1190 3.518,1191 3.391,1192 3.352,1193 4.46,1194 3.355,1195 3.271,1196 3.337,1197 3.205,1198 3.078,1199 4.394,1200 3.102,1201 3.111,1202 3.206,1203 2.911,1204 2.941,1205 4.091,1206 2.91,1207 3.002,1208 3.068,1209 2.866,1210 2.859,1211 3.941,1212 2.859,1213 0.121,1214 0.086,1215 0.172,1216 0.109,1217 0.083,1218 4.48,1219 0.119,1220 3.193,1221 0.023,1222 6.356,1223 0.266,1224 4.026,1225 0.08,1226 3.068,1227 4.393,1228 0.86,1229 9.841,1230 2.955,1231 2.033,1232 2.007,1233 2.112,1234 2.129,1235 1.211,1236 2.124,1237 1.93,1238 1.901,1239 1.995,1240 2.061,1241 1.198,1242 2.044,1243 1.741,1244 1.688,1245 1.911,1246 1.956,1247 1.09,1248 1.942,1249 1.594,1250 1.545,1251 1.72,1252 1.796,1253 0.825,1254 1.777,1255 1.427,1256 1.385,1257 1.568,1258 1.635,1259 0.78,1260 1.592,1261 1.276,1262 1.181,1263 1.513,1264 1.567,1265 0.628,1266 1.565,1267 1.153,1268 1.064,1269 1.423,1270 1.376,1271 0.298,1272 1.429,1273 0.998,1274 0.948,1275 1.209,1276 1.183,1277 0.262,1278 1.186,1279 4.317,1281 5.645,1282 2.398,1283 7.174,1284 4.595,1285 8.79,1286 6.581,1287 10.451,1295 2.819,1296 3.407,1297 5.501,1300 2.14,1305 35.047,1306 81.942,1307 198.797,1308 250.016,1309 274.423,1310 276.423,1311 276.423,1312 35.671,1313 8.384,1314 104.74,1315 104.74,1316 35,1317 12.77,1318 4.807,1319 3.858,1320 41.113,1321 129,1322 132,1323 0.15,1324 210.256,1325 342.91,1326 504.784,1327 54027,1329 21.33,1330 0.667,1331 0.537,1332 21.33,1333 17.193,1334 15.815,1335 0.427,1336 0.282,1337 10.27,1338 15.119,1339 10.121,1340 8.312,1341 15.815,1342 10.449,1343 14.235,1344 0.274,1345 0.146,1346 14.235,1347 7.611,1348 12.506,1349 0.176,1350 0.077,1351 12.506,1352 5.458,1353 10.925,1354 0.114,1355 0.04,1356 10.925,1357 3.815,1358 9.141,1359 0.073,1360 0.021,1361 9.141,1362 2.583,1363 0.233,1364 99.551,1365 0.195,1366 29.69,1367 0.421,1368 178,1369 506.272,1370 196.282,1371 493.802,1372 698.37,1373 468,1374 212,1375 536.369,1376 231.726,1377 542.637,1378 797.56,1379 512,1380 7.18}
{0 CHEMBL1672318,1 1.603,2 10.467,3 3.766,4 14.18,5 113.507,6 8.01,7 0.676,8 4.049,9 4.161,10 3.686,11 3.577,12 5.199,13 3.587,14 4.558,15 4.716,16 4.037,17 3.953,18 5.705,19 3.946,20 4.783,21 4.985,22 4.055,23 4.075,24 5.829,25 4.034,26 4.768,27 4.994,28 3.963,29 4.014,30 5.789,31 3.954,32 4.719,33 4.941,34 3.983,35 3.969,36 5.812,37 3.928,38 4.673,39 4.87,40 3.973,41 3.976,42 5.706,43 3.941,44 4.758,45 4.969,46 4.015,47 4.047,48 5.829,49 3.987,50 4.819,51 5.033,52 3.943,53 4.086,54 5.794,55 4.002,56 0.07,57 0.793,58 8.998,59 4.06,60 9.564,61 4.956,62 0.35,63 1.269,64 17.33,65 6.61,66 27.47,67 8.265,68 0.429,69 1.514,70 24.068,71 8.25,72 34.601,73 10.951,74 0.344,75 1.485,76 24.41,77 8.365,78 35.69,79 11.644,80 0.49,81 1.423,82 23.348,83 7.502,84 45.52,85 10.489,86 0.271,87 1.385,88 20.728,89 7.171,90 23.933,91 9.619,92 0.542,93 1.459,94 23.653,95 8.651,96 39.078,97 11.789,98 0.279,99 1.46,100 25.725,101 10.202,102 34.533,103 13.67,104 2,105 47,106 0.266,107 0.62,108 0.776,109 0.863,110 0.869,111 0.869,112 3.441,113 0.859,114 -4.06,115 -4.01,116 -3.8,119 44,125 4,142 8,143 2,144 1,145 2,146 2,147 2,150 1,172 7,174 3,175 7,178 2,180 3,183 7,186 1,187 6,190 1,192 2,195 6,199 5,202 2,204 3,207 2,211 4,212 7,215 1,217 5,220 1,224 3,229 1,232 2,236 4,237 7,240 4,241 1,245 5,250 7,258 4,263 6,268 1,271 4,275 1544,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.174,282 22.098,283 12.515,284 21.44,285 16.88,286 16.88,287 16.88,288 16.88,289 16.88,290 12.89,291 36.024,292 6.049,293 17.884,294 4.041,295 1.904,296 0.96,297 0.44,298 0.4,299 0.4,300 4.157,304 1,305 1,306 701,307 2.345,311 435.978,315 134.592,318 1.502,319 25.142,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 65,331 314,332 4.419,333 3.19,334 6.32,335 3.986,336 3.039,337 4.338,338 0.86,339 9.735,340 2.899,341 4.364,342 2.967,343 6.184,344 3.898,345 2.92,346 4.044,347 0.8,348 9.235,349 2.854,350 4.026,351 2.883,352 6.033,353 3.666,354 2.727,355 3.57,356 0.4,357 8.707,358 2.544,359 3.739,360 2.658,361 5.509,362 3.415,363 2.474,364 3.095,366 7.435,367 2.326,368 3.582,369 2.426,370 5.1,371 3.168,372 2.233,373 2.89,375 6.243,376 2.085,377 3.35,378 2.272,379 4.926,380 2.922,381 1.98,382 2.642,384 5.698,385 1.857,386 3.118,387 2.029,388 4.432,389 2.627,390 1.724,391 2.427,393 4.412,394 1.564,395 2.936,396 1.618,397 4.39,398 2.586,399 1.618,400 2.09,402 4.313,403 1.548,404 2.874,405 1.521,406 4.134,407 2.396,408 1.405,409 2.001,411 3.563,412 1.391,413 2.789,414 1.397,415 3.616,416 2.309,417 1.354,418 1.887,420 2.999,421 1.288,422 2.549,423 1.337,424 3.492,425 2.037,426 1.118,427 1.572,428 2.616,429 1.025,430 2.201,431 1.256,432 3.469,433 1.952,434 1,435 1.172,436 2.476,437 0.946,438 2.184,439 1.045,440 3.247,441 1.908,442 1,443 1.036,445 2.136,446 0.901,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.671,456 1.367,457 0.185,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 14.067,466 0.469,467 0.602,468 0.02,469 44.5,470 1.483,471 23.5,472 0.783,473 21,474 0.7,475 20.939,476 0.698,477 30.933,478 0.619,479 32.99,480 1.1,481 8.813,482 0.294,483 5.929,484 0.198,485 0.024,487 0.313,493 0.958,494 1.386,495 0.723,496 1.056,497 0.926,498 0.885,499 1.047,500 1.044,501 0.898,502 0.932,503 0.685,504 0.9,505 1.105,506 1.069,507 1.027,508 0.932,509 0.921,510 0.953,511 0.845,512 1.109,513 0.975,514 1.016,515 0.89,516 1.004,517 0.838,518 0.971,519 0.933,520 0.857,521 0.798,522 0.885,523 1.047,524 1.24,525 1.03,526 1.061,527 0.896,528 1.027,529 0.611,530 0.802,531 0.951,532 0.953,533 0.613,534 0.996,535 0.861,536 1.102,537 0.994,538 1.175,539 0.909,540 1.128,541 5.5,542 0.111,543 2.444,544 1.438,545 1.382,546 0.875,547 0.61,548 0.29,549 0.316,550 0.246,551 12294,552 33059,553 2.207,554 40,556 16,558 2,559 2,564 1.734,565 2.143,566 3.372,567 0.243,569 1,573 80.137,574 1.603,575 3.739,576 4.684,577 5.204,578 5.244,579 5.244,580 2.727,581 4.574,582 4.879,583 3.533,584 1537.07,585 8.542,586 21329.4,588 1,590 1,591 282.193,592 1.075,593 4.87,594 0.162,595 0.004,596 0.052,597 0.031,598 0.033,599 0.02,600 0.014,601 0.007,602 0.008,603 0.007,604 0.337,605 0.33,606 0.88,607 0.327,608 152.851,609 -0.098,610 -0.251,611 0.052,612 -0.071,613 -0.112,615 0.005,616 0.06,617 -0.025,618 0.016,619 0.089,620 -0.014,621 -0.131,622 -0.023,623 -0.087,624 0.019,625 -0.093,626 -0.019,627 -0.047,628 -0.083,629 -0.016,630 -0.06,631 -0.06,632 -0.036,633 0.082,634 0.086,635 0.033,636 0.072,637 0.076,638 0.052,639 -0.17,640 -0.167,641 -0.115,642 -0.121,643 -0.107,644 -0.104,645 0.259,646 0.233,647 -0.009,648 0.013,649 0.171,650 -0.037,651 -0.036,652 -0.169,653 -0.037,654 -0.144,655 -0.061,656 -0.101,657 1.715,658 3.792,659 0.933,660 27.867,661 1.009,662 1.126,663 2.833,664 8.028,665 0.685,666 3.555,667 3.871,668 4.143,669 4.431,670 4.71,671 4.754,672 4.949,673 5.1,674 5.268,675 5.338,676 6.515,677 0.665,678 400.48,679 3.555,680 5.094,681 5.943,682 6.817,683 7.68,684 8.559,685 9.429,686 10.31,687 11.184,688 12.066,689 12,695 1,697 1,699 4,703 2,704 10,705 4,709 6,711 23,724 1,726 1,728 1,731 50,733 23,734 1,735 34,737 54,738 22,739 18,740 2,741 4,746 5,747 6,761 18,762 4,778 1,781 20,782 8,783 2,784 8,790 6,794 0.8,795 2,805 2,806 1,812 5,816 1,839 1,840 4,848 30,853 1,854 4,855 1,856 1,859 1,870 4,872 1,874 1,877 14,878 8.95,879 6.5,880 2.928,881 4.144,882 1.522,883 1.009,884 5.138,885 12.086,886 3.839,887 4.46,888 5.064,889 5.684,890 6.292,891 6.557,892 7.015,893 7.451,894 7.896,895 8.145,896 0.857,897 47,898 11.04,900 4.724,901 7.678,902 21.126,904 17.382,905 2.178,906 65.333,908 1,909 1,910 211.88,911 124.944,912 88.277,914 53.683,917 124.944,918 265.563,919 88.277,921 13.396,922 75.81,923 144.368,924 52.646,925 4.227,926 188.338,928 211.88,929 213.221,930 53.683,933 211.88,934 42.683,935 11,937 56.302,938 89.778,939 67.142,941 211.88,942 141.96,943 124.944,946 211.88,947 31.039,948 97.029,949 18.011,950 120.825,951 211.88,952 141.96,953 124.944,955 0.577,956 0.332,957 0.187,958 0.107,959 24,960 9,961 0.074,962 4,963 1,964 1.071,965 4.223,966 278.072,967 0.071,968 28,969 143.207,974 18.737,975 8.227,976 4.206,977 1.983,978 141.96,979 18.607,980 17.813,984 3.508,986 60.694,987 478.784,988 45.5,999 50.451,1000 56.315,1001 0.284,1002 0.663,1003 0.83,1004 0.922,1005 0.929,1006 0.929,1007 5.061,1008 1.618,1009 5.905,1010 4.412,1011 4.554,1012 5.147,1013 1.324,1014 6.683,1015 4.447,1016 6.257,1017 1.405,1018 7.433,1019 4.313,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.853,1025 7.552,1026 1.354,1027 9.057,1028 3.563,1029 6.111,1030 7.36,1031 0.958,1032 10.56,1033 5.911,1034 8.881,1035 1.118,1036 10.739,1037 2.999,1038 6.382,1039 7.896,1040 0.268,1041 12.157,1042 6.141,1043 10.241,1044 1,1045 12.457,1046 2.616,1047 7.929,1048 9.854,1049 0.736,1050 14.74,1051 7.646,1052 11.624,1053 1,1054 14.202,1055 2.476,1056 8.603,1057 10.812,1058 0.188,1059 16.69,1060 8.283,1061 13.024,1062 0.702,1063 15.964,1064 2.136,1065 9.896,1066 12.511,1067 0.57,1068 19.071,1069 9.537,1070 3.039,1071 0.048,1072 17.739,1073 1.626,1074 10.775,1075 13.698,1076 0.125,1077 21.181,1078 10.381,1079 2.92,1080 9.735,1081 19.525,1082 0.134,1083 11.951,1084 15.268,1085 0.439,1086 23.48,1087 11.519,1088 2.727,1089 9.235,1090 21.318,1091 4.338,1092 12.934,1093 16.577,1094 0.082,1095 25.663,1096 12.467,1097 2.474,1098 8.707,1099 23.117,1100 4.044,1101 14.057,1102 18.083,1103 0.334,1104 27.93,1105 13.553,1106 2.233,1107 7.435,1108 24.921,1109 3.57,1110 15.092,1111 19.458,1112 0.054,1113 30.148,1114 14.552,1115 1.98,1116 6.243,1117 26.729,1118 3.095,1119 16.193,1120 20.933,1121 0.252,1122 32.404,1123 15.616,1124 1.724,1125 5.698,1126 28.54,1127 2.89,1128 17.255,1129 22.344,1130 0.035,1131 34.639,1132 16.641,1133 11278,1134 18648,1135 23.75,1136 34.273,1137 50.851,1138 50.96,1139 51.08,1140 50.718,1141 50.682,1142 67.651,1143 4.12,1144 142.655,1145 47.888,1146 5.419,1147 5.19,1148 6.121,1149 5.089,1150 5.039,1151 7.338,1152 1.72,1153 16.249,1154 4.899,1155 7.298,1156 1.496,1157 1.499,1158 1.502,1159 1.492,1160 1.491,1161 1.99,1162 0.121,1163 4.196,1164 1.408,1165 4.078,1166 4.112,1167 4.039,1168 3.998,1169 6.476,1170 4.002,1171 3.964,1172 4.002,1173 3.928,1174 3.848,1175 5.046,1176 3.862,1177 3.786,1178 3.835,1179 3.716,1180 3.592,1181 4.947,1182 3.616,1183 3.637,1184 3.689,1185 3.548,1186 3.456,1187 4.71,1188 3.47,1189 3.439,1190 3.487,1191 3.36,1192 3.317,1193 4.597,1194 3.322,1195 3.111,1196 3.206,1197 2.918,1198 2.941,1199 4.404,1200 2.91,1201 3.004,1202 3.071,1203 2.872,1204 2.859,1205 4.098,1206 2.86,1207 2.954,1208 3.003,1209 2.866,1210 2.746,1211 3.933,1212 2.756,1213 0.13,1214 0.094,1215 0.186,1216 0.117,1217 0.089,1218 4.419,1219 0.128,1220 3.19,1221 0.025,1222 6.32,1223 0.286,1224 3.986,1225 0.085,1226 3.039,1227 4.338,1228 0.86,1229 9.735,1230 2.899,1231 2.033,1232 2.007,1233 2.112,1234 2.128,1235 1.21,1236 2.124,1237 1.902,1238 1.87,1239 1.981,1240 2.05,1241 1.198,1242 2.032,1243 1.716,1244 1.663,1245 1.901,1246 1.933,1247 1.028,1248 1.924,1249 1.574,1250 1.525,1251 1.703,1252 1.776,1253 0.825,1254 1.757,1255 1.414,1256 1.371,1257 1.556,1258 1.568,1259 0.732,1260 1.57,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.589,1266 1.429,1267 0.983,1268 0.926,1269 1.209,1270 1.179,1271 0.262,1272 1.182,1273 0.883,1274 0.84,1275 1.141,1276 1.152,1277 0.242,1278 1.135,1279 4.234,1281 5.549,1283 7.067,1285 8.674,1287 10.324,1294 9.792,1295 2.728,1296 3.351,1297 5.456,1300 2.095,1305 33.246,1306 80.137,1307 186.974,1308 234.193,1309 260.193,1310 262.193,1311 262.193,1312 37.482,1313 7.942,1314 96.29,1315 96.29,1316 30,1317 12.602,1318 4.585,1319 3.644,1320 41.319,1321 115,1322 118,1323 0.17,1324 201.392,1325 338.3,1326 483.156,1327 31061,1329 20.338,1330 0.678,1331 0.54,1332 20.338,1333 16.193,1334 14.742,1335 0.434,1336 0.286,1337 9.573,1338 14.107,1339 9.429,1340 7.749,1341 14.742,1342 9.735,1343 13.243,1344 0.282,1345 0.149,1346 13.243,1347 6.982,1348 11.153,1349 0.18,1350 0.079,1351 11.153,1352 4.912,1353 9.667,1354 0.116,1355 0.041,1356 9.667,1357 3.416,1358 8.274,1359 0.075,1360 0.021,1361 8.274,1362 2.342,1363 0.263,1364 92.739,1365 0.205,1366 28.114,1367 0.477,1368 162,1369 476.444,1370 179.332,1371 461.955,1372 643.74,1373 436,1374 190,1375 484.3,1376 207.28,1377 489.583,1378 717.68,1379 462,1380 6.597}
{0 CHEMBL1672319,1 1.572,2 10.379,3 2.772,4 7.683,5 108.971,6 8.031,7 0.697,8 4.009,9 4.128,10 3.658,11 3.537,12 5.138,13 3.548,14 4.526,15 4.694,16 3.993,17 3.903,18 5.628,19 3.899,20 4.731,21 4.942,22 4.015,23 4.015,24 5.762,25 3.975,26 4.697,27 4.929,28 3.912,29 3.944,30 5.698,31 3.886,32 4.645,33 4.872,34 3.932,35 3.904,36 5.702,37 3.866,38 4.602,39 4.802,40 3.929,41 3.918,42 5.625,43 3.88,44 4.696,45 4.918,46 3.935,47 3.96,48 5.705,49 3.911,50 4.731,51 4.957,52 3.871,53 3.978,54 5.726,55 3.904,56 0.04,57 0.795,58 8.448,59 3.739,60 6.766,61 4.713,62 0.309,63 1.257,64 16.878,65 6.026,66 22.543,67 7.612,68 0.43,69 1.472,70 22.88,71 7.575,72 31.964,73 10.236,74 0.318,75 1.416,76 22.617,77 7.527,78 30.48,79 10.673,80 0.45,81 1.359,82 21.421,83 6.706,84 35.589,85 9.459,86 0.261,87 1.331,88 18.93,89 6.688,90 20.914,91 9.094,92 0.369,93 1.402,94 22.312,95 7.348,96 29.932,97 10.18,98 0.367,99 1.392,100 23.676,101 8.251,102 36.699,103 11.307,105 45,106 0.263,107 0.59,108 0.767,109 0.849,110 0.863,111 0.863,112 3.409,113 0.859,114 -3.03,115 -3.03,116 -2.92,119 43.8,125 4,142 6,143 1,144 1,145 4,146 3,147 1,150 1,172 5,174 3,175 4,178 1,180 2,183 5,186 3,187 4,190 1,192 1,195 4,198 1,199 4,202 2,204 1,207 2,211 5,212 2,215 1,217 2,220 1,223 2,224 3,227 1,229 1,232 1,236 2,237 6,240 1,245 2,249 2,250 5,258 1,262 2,263 7,275 1411,276 20.378,277 20.378,278 20.378,279 20.378,280 20.378,281 17.751,282 19.942,283 12.392,284 21.005,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.479,291 34.862,292 5.993,293 17.409,294 4.013,295 2.049,296 0.99,297 0.5,298 0.417,299 0.417,300 4.128,303 1,304 1,305 1,306 676,307 2.236,311 418.296,315 128.959,318 1.47,319 21.116,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 62.5,331 301,332 4.417,333 3.187,334 6.312,335 3.971,336 3.031,337 4.338,338 0.86,339 9.705,340 2.881,341 4.352,342 2.966,343 6.184,344 3.893,345 2.918,346 4.02,347 0.8,348 9.234,349 2.824,350 3.952,351 2.823,352 6.016,353 3.617,354 2.684,355 3.437,356 0.4,357 8.629,358 2.492,359 3.737,360 2.595,361 5.502,362 3.397,363 2.453,364 3.091,366 7.41,367 2.314,368 3.453,369 2.308,370 5.015,371 3.029,372 2.076,373 2.749,375 5.98,376 1.974,377 3.172,378 2.071,379 4.477,380 2.671,381 1.741,382 2.456,384 4.54,385 1.619,386 3.118,387 1.748,388 4.401,389 2.606,390 1.697,391 2.427,393 4.339,394 1.563,395 2.911,396 1.618,397 4.283,398 2.586,399 1.618,400 2.078,402 4.065,403 1.532,404 2.872,405 1.436,406 3.616,407 2.391,408 1.397,409 1.949,411 3.001,412 1.387,413 2.564,414 1.385,415 3.511,416 2.06,417 1.146,418 1.593,420 2.705,421 1.045,422 2.5,423 1.256,424 3.472,425 1.952,426 1,427 1.5,428 2.509,429 0.946,430 2.201,431 1.057,432 3.247,433 1.921,434 1,435 1.171,436 2.136,437 0.917,438 2.184,439 1,440 3.247,441 1.898,442 1,443 1.036,445 2.136,446 0.894,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.671,456 1.367,457 0.185,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 13.633,466 0.47,467 0.496,468 0.017,469 43.75,470 1.509,471 23,472 0.793,473 20.75,474 0.716,475 19.523,476 0.673,477 29.567,478 0.616,479 31.155,480 1.074,481 8.654,482 0.298,483 5.695,484 0.196,487 0.286,493 0.917,494 1.472,495 0.696,496 1.114,497 0.792,498 0.911,499 1.309,500 1.076,501 0.937,502 0.917,503 1.033,504 0.886,505 1.155,506 1.015,507 1.015,508 0.905,509 1.059,510 0.933,511 0.858,512 1.09,513 0.962,514 1,515 1.014,516 0.987,517 0.89,518 0.902,519 0.939,520 0.826,521 0.996,522 0.865,523 0.944,524 1.178,525 1.003,526 1.093,527 0.885,528 1.055,529 1.018,530 0.997,531 1.016,532 0.953,533 1.004,534 0.966,535 1.049,536 0.988,537 1.074,538 1.03,539 1.162,540 1.052,541 4.5,542 0.074,543 2.222,544 1.25,545 1.111,546 0.875,547 0.547,548 0.2,549 0.217,550 0.208,551 11405,552 29638,553 2.237,554 39.6,556 14,558 4,559 1,564 1.725,565 2.203,566 3.364,567 -0.302,568 1,569 1,573 75.477,574 1.572,575 3.536,576 4.595,577 5.085,578 5.168,579 5.168,580 2.715,581 3.906,582 4.83,583 3.513,584 1426.08,585 8.441,586 19295.6,588 1,590 1,591 268.078,592 0.85,593 4.832,594 0.136,595 0.003,596 0.049,597 0.028,598 0.028,599 0.021,600 0.013,601 0.005,602 0.006,603 0.006,604 0.296,605 0.33,606 0.88,608 146.182,609 -0.057,610 -0.334,611 0.075,612 -0.141,613 -0.009,614 -0.033,615 -0.098,616 0.017,617 -0.048,618 0.016,619 -0.027,620 -0.012,621 -0.071,622 0.021,623 -0.062,624 0.038,625 -0.057,626 -0.007,627 -0.007,628 -0.073,629 0.006,630 -0.049,631 -0.03,632 -0.024,633 0.111,634 0.151,635 0.03,636 0.096,637 0.044,638 0.06,639 -0.036,640 -0.114,641 -0.091,642 -0.151,643 -0.029,644 -0.133,645 -0.042,646 0.031,647 -0.055,648 -0.007,649 -0.042,650 -0.023,651 -0.067,652 -0.015,653 -0.098,654 -0.046,655 -0.125,656 -0.07,657 1.021,658 1.959,659 0.966,660 26.243,661 1.007,662 1.129,663 1.803,664 3.25,665 0.689,666 3.526,667 3.829,668 4.111,669 4.394,670 4.673,671 4.71,672 4.905,673 5.056,674 5.204,675 5.278,676 6.398,677 0.667,678 385.47,679 3.526,680 5.056,681 5.905,682 6.774,683 7.638,684 8.513,685 9.383,686 10.261,687 11.134,688 12.014,689 14.6,695 1,697 1,699 5,703 2,704 10,705 5,709 5,711 23,724 1,726 1,731 48,733 23,734 1,735 33,737 52,738 21,739 17,740 2,741 4,746 5,747 6,761 17,762 4,778 1,781 19,782 8,783 1,784 8,790 7,794 0.8,795 1,802 1,805 1,806 1,812 5,816 1,839 1,840 4,848 29,854 4,855 1,856 1,859 1,870 2.1,874 1,877 13.167,878 8.7,879 6.333,880 2.844,881 4.102,882 1.522,883 1.033,884 4.891,885 11.966,886 3.818,887 4.425,888 5.035,889 5.652,890 6.261,891 6.513,892 6.978,893 7.415,894 7.843,895 8.099,896 0.857,897 45,898 10.658,900 4.52,901 7.592,902 20.52,904 16.786,905 2.092,906 60.667,909 1,910 211.88,911 123.658,912 105.063,914 11,917 123.658,918 222.88,919 105.063,921 13.396,922 56.857,923 142.012,924 70.312,925 4.227,926 164.795,928 211.88,929 228.72,930 11,933 211.88,935 11,937 77.153,938 67.639,939 83.928,941 211.88,942 116.063,943 123.658,946 211.88,947 30.611,948 96.171,949 18.011,950 94.928,951 211.88,952 116.063,953 123.658,955 0.571,956 0.332,957 0.188,958 0.108,959 23,960 8,961 0.077,962 4,963 1,964 1.071,965 4.181,966 264.74,967 0.071,968 28,969 136.881,974 17.776,975 7.979,976 3.959,977 2.018,978 116.063,979 18.761,980 22.517,984 3.599,986 18.011,987 451.6,988 44.5,999 48.342,1000 54.189,1001 0.282,1002 0.633,1003 0.823,1004 0.91,1005 0.925,1006 0.925,1007 5.029,1008 1.618,1009 5.855,1010 4.339,1011 4.511,1012 5.112,1013 1.324,1014 6.627,1015 4.399,1016 6.214,1017 1.397,1018 7.376,1019 4.065,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.743,1025 7.501,1026 1.146,1027 8.996,1028 3.001,1029 6.057,1030 7.313,1031 0.958,1032 10.507,1033 5.844,1034 8.824,1035 1,1036 10.678,1037 2.705,1038 6.293,1039 7.81,1040 0.268,1041 12.116,1042 6.044,1043 10.18,1044 1,1045 12.399,1046 2.509,1047 7.872,1048 9.803,1049 0.736,1050 14.697,1051 7.566,1052 11.561,1053 1,1054 14.147,1055 2.136,1056 8.531,1057 10.743,1058 0.188,1059 16.656,1060 8.188,1061 12.96,1062 0.702,1063 15.913,1064 2.136,1065 9.84,1066 12.461,1067 0.57,1068 19.034,1069 9.445,1070 3.031,1071 0.048,1072 17.693,1073 1.626,1074 10.713,1075 13.64,1076 0.125,1077 21.147,1078 10.28,1079 2.918,1080 9.705,1081 19.482,1082 0.134,1083 11.896,1084 15.22,1085 0.439,1086 23.443,1087 11.415,1088 2.684,1089 9.234,1090 21.279,1091 4.338,1092 12.876,1093 16.527,1094 0.082,1095 25.627,1096 12.355,1097 2.453,1098 8.629,1099 23.081,1100 4.02,1101 14.002,1102 18.038,1103 0.334,1104 27.892,1105 13.436,1106 2.076,1107 7.41,1108 24.887,1109 3.437,1110 15.036,1111 19.414,1112 0.054,1113 30.108,1114 14.428,1115 1.741,1116 5.98,1117 26.697,1118 3.091,1119 16.138,1120 20.893,1121 0.252,1122 32.362,1123 15.487,1124 1.697,1125 4.54,1126 28.51,1127 2.749,1128 17.199,1129 22.304,1130 0.035,1131 34.595,1132 16.505,1133 10400,1134 16922,1135 23.345,1136 33.063,1137 49.145,1138 49.324,1139 49.063,1140 49.015,1141 49.022,1142 65.815,1143 4.12,1144 136.296,1145 46.212,1146 5.417,1147 5.187,1148 6.114,1149 5.074,1150 5.031,1151 7.338,1152 1.72,1153 16.172,1154 4.881,1156 1.489,1157 1.495,1158 1.487,1159 1.485,1160 1.486,1161 1.994,1162 0.125,1163 4.13,1164 1.4,1165 4.076,1166 4.111,1167 4.037,1168 3.996,1169 5.088,1170 4.001,1171 3.947,1172 3.995,1173 3.914,1174 3.792,1175 4.989,1176 3.818,1177 3.766,1178 3.825,1179 3.69,1180 3.557,1181 4.864,1182 3.582,1183 3.629,1184 3.685,1185 3.543,1186 3.449,1187 4.599,1188 3.464,1189 3.438,1190 3.488,1191 3.358,1192 3.317,1193 4.405,1194 3.322,1195 3.111,1196 3.206,1197 2.916,1198 2.941,1199 4.104,1200 2.91,1201 3.004,1202 3.072,1203 2.866,1204 2.86,1205 4.031,1206 2.86,1207 2.943,1208 3.004,1209 2.85,1210 2.782,1211 3.865,1212 2.786,1213 0.134,1214 0.097,1215 0.191,1216 0.12,1217 0.092,1218 4.417,1219 0.131,1220 3.187,1221 0.026,1222 6.312,1223 0.294,1224 3.971,1225 0.087,1226 3.031,1227 4.338,1228 0.86,1229 9.705,1230 2.881,1231 2.032,1232 2.007,1233 2.111,1234 2.128,1235 1.209,1236 2.123,1237 1.861,1238 1.817,1239 1.953,1240 2.045,1241 1.197,1242 2.021,1243 1.694,1244 1.637,1245 1.87,1246 1.923,1247 0.916,1248 1.91,1249 1.565,1250 1.513,1251 1.698,1252 1.77,1253 0.825,1254 1.753,1255 1.416,1256 1.371,1257 1.562,1258 1.568,1259 0.695,1260 1.571,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.577,1266 1.429,1267 0.984,1268 0.926,1269 1.209,1270 1.178,1271 0.266,1272 1.182,1273 0.897,1274 0.844,1275 1.122,1276 1.142,1277 0.243,1278 1.137,1279 4.205,1281 5.509,1283 7.024,1285 8.627,1287 10.275,1295 2.827,1296 3.366,1297 5.459,1300 2.118,1305 32.025,1306 75.477,1307 169.74,1308 220.568,1309 244.078,1310 248.078,1311 248.078,1312 32.234,1313 7.864,1314 88.95,1315 88.95,1316 30,1317 12.551,1318 4.585,1319 3.644,1320 39.362,1321 109,1322 111,1323 0.17,1324 194.598,1325 323.21,1326 466.578,1327 28382,1329 19.468,1330 0.671,1331 0.541,1332 19.468,1333 15.693,1334 14.348,1335 0.435,1336 0.286,1337 9.286,1338 13.712,1339 9.148,1340 7.525,1341 14.348,1342 9.451,1343 12.609,1344 0.28,1345 0.148,1346 12.609,1347 6.67,1348 10.826,1349 0.18,1350 0.078,1351 10.826,1352 4.697,1353 9.363,1354 0.117,1355 0.041,1356 9.363,1357 3.253,1358 8.044,1359 0.076,1360 0.021,1361 8.044,1362 2.234,1363 0.264,1364 90.299,1365 0.207,1366 27.364,1367 0.478,1368 156,1369 455.939,1370 172.506,1371 442.734,1372 621.41,1373 420,1374 183,1375 469.383,1376 200.534,1377 474.784,1378 695.67,1379 448,1380 6.523}
{0 CHEMBL1672320,1 1.59,2 10.867,3 2.564,4 6.576,5 113.985,6 8.01,7 0.676,8 4.052,9 4.179,10 3.69,11 3.558,12 5.201,13 3.573,14 4.56,15 4.73,16 4.038,17 3.929,18 5.688,19 3.928,20 4.772,21 4.982,22 4.064,23 4.045,24 5.844,25 4.01,26 4.752,27 4.99,28 3.943,29 3.979,30 5.761,31 3.92,32 4.682,33 4.913,34 3.956,35 3.93,36 5.73,37 3.89,38 4.625,39 4.823,40 3.977,41 3.94,42 5.685,43 3.908,44 4.738,45 4.96,46 3.985,47 3.994,48 5.771,49 3.951,50 4.785,51 5.012,52 3.954,53 4.02,54 5.817,55 3.95,56 0.069,57 0.845,58 9.054,59 3.736,60 9.416,61 4.81,62 0.339,63 1.309,64 17.6,65 6.231,66 25.086,67 8.073,68 0.485,69 1.534,70 23.784,71 7.593,72 38.298,73 10.471,74 0.37,75 1.47,76 24.23,77 7.716,78 35.586,79 11.206,80 0.471,81 1.384,82 22.503,83 6.953,84 36.341,85 10.049,86 0.288,87 1.368,88 19.308,89 6.774,90 23.684,91 9.369,92 0.411,93 1.459,94 23.224,95 7.299,96 33.099,97 10.324,98 0.432,99 1.467,100 25.046,101 8.723,102 41.944,103 12.18,104 2,105 47,106 0.264,107 0.613,108 0.789,109 0.856,110 0.863,111 0.863,112 3.441,113 0.852,114 -3.11,115 -3.1,116 -2.98,119 42,125 4,142 6,143 1,144 1,145 3,146 3,147 2,150 1,163 1,164 1,165 1,172 5,174 3,175 4,177 1,178 2,180 2,183 5,186 3,187 4,189 1,190 2,192 1,195 4,198 1,199 4,202 2,204 1,207 2,211 5,212 2,215 1,217 2,220 1,223 2,224 3,226 1,227 2,229 2,232 1,234 1,236 2,237 6,240 1,245 2,249 2,250 5,252 2,253 2,254 1,257 1,258 1,262 2,263 7,275 1560,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.174,282 23.104,283 12.478,284 21.466,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 12.884,291 37.362,292 6.03,293 17.915,294 4.054,295 1.943,296 0.885,297 0.48,298 0.44,299 0.44,300 4.157,304 1,305 1,306 728,307 2.345,311 438.974,315 135.495,318 1.493,319 24.212,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 65,331 326,332 4.418,333 3.188,334 6.313,335 3.974,336 3.034,337 4.338,338 0.86,339 9.709,340 2.882,341 4.358,342 2.966,343 6.184,344 3.895,345 2.919,346 4.033,347 0.8,348 9.234,349 2.828,350 4.009,351 2.843,352 6.02,353 3.641,354 2.711,355 3.553,356 0.4,357 8.645,358 2.51,359 3.74,360 2.625,361 5.504,362 3.412,363 2.471,364 3.097,366 7.418,367 2.323,368 3.627,369 2.392,370 5.079,371 3.218,372 2.275,373 2.957,375 6.193,376 2.143,377 3.377,378 2.27,379 4.959,380 2.959,381 2.008,382 2.669,384 5.813,385 1.905,386 3.118,387 2.033,388 4.442,389 2.628,390 1.725,391 2.427,393 4.435,394 1.565,395 2.941,396 1.618,397 4.394,398 2.586,399 1.618,400 2.094,402 4.321,403 1.549,404 2.874,405 1.51,406 4.185,407 2.395,408 1.405,409 1.998,411 3.675,412 1.391,413 2.742,414 1.394,415 3.616,416 2.255,417 1.325,418 1.825,420 2.999,421 1.229,422 2.5,423 1.256,424 3.491,425 1.952,426 1.048,427 1.5,428 2.594,429 0.946,430 2.202,431 1.255,432 3.414,433 1.928,434 1,435 1.175,436 2.275,437 0.918,438 2.184,439 1,440 3.247,441 1.915,442 1,443 1.036,445 2.136,446 0.912,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.367,457 0.186,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 14.033,466 0.468,467 0.602,468 0.02,469 45,470 1.5,471 23.5,472 0.783,473 21.5,474 0.717,475 20.643,476 0.688,477 30.967,478 0.619,479 33.098,480 1.103,481 8.876,482 0.296,483 5.867,484 0.196,485 0.029,487 0.314,493 0.995,494 1.447,495 0.724,496 1.078,497 1.006,498 0.887,499 1.209,500 1.083,501 0.889,502 0.934,503 0.842,504 0.883,505 1.148,506 1.019,507 1.029,508 0.923,509 0.989,510 0.952,511 0.884,512 1.074,513 0.983,514 1.002,515 0.981,516 0.996,517 0.845,518 0.907,519 0.911,520 0.839,521 0.853,522 0.866,523 0.881,524 1.192,525 0.965,526 1.119,527 0.722,528 1.061,529 1.063,530 1.018,531 1.037,532 0.96,533 1.042,534 0.975,535 0.889,536 0.979,537 1.006,538 1.065,539 0.922,540 1.063,541 5.5,542 0.124,543 2.667,544 1.313,545 1.302,546 0.986,547 0.625,548 0.302,549 0.303,550 0.287,551 12402,552 32879,553 2.207,554 40,556 14,558 3,559 3,564 1.734,565 2.143,566 3.416,567 0.933,568 1,569 1,573 79.516,574 1.59,575 3.701,576 4.759,577 5.164,578 5.204,579 5.204,580 2.836,581 4.44,582 4.878,583 3.561,584 1549.1,585 8.539,586 21517.4,588 1,590 1,591 282.193,592 1.075,593 4.87,594 0.162,595 0.004,596 0.057,597 0.028,598 0.032,599 0.023,600 0.015,601 0.007,602 0.007,603 0.008,604 0.343,605 0.33,606 0.88,607 0.327,608 153.104,609 -0.114,610 -0.273,611 0.057,612 -0.089,613 -0.135,614 -0.001,615 -0.045,616 0.017,617 -0.003,618 0.022,619 0.066,620 0.008,621 -0.072,622 0.029,623 -0.085,624 0.023,625 -0.036,626 -0.029,627 -0.037,628 -0.063,629 -0.016,630 -0.043,631 -0.077,632 -0.027,633 0.11,634 0.127,635 0.056,636 0.103,637 0.037,638 0.078,639 0.007,640 -0.118,641 -0.065,642 -0.159,643 0.066,644 -0.131,645 -0.087,646 0.022,647 -0.087,648 -0.013,649 -0.118,650 -0.037,651 0.065,652 -0.005,653 -0.036,654 -0.07,655 0.031,656 -0.073,657 1.304,658 1.959,659 0.933,660 28.533,661 1.009,662 1.134,663 1.876,664 3.518,665 0.681,666 3.555,667 3.871,668 4.143,669 4.419,670 4.71,671 4.762,672 4.934,673 5.106,674 5.257,675 5.357,676 6.587,677 0.661,678 400.49,679 3.555,680 5.094,681 5.943,682 6.815,683 7.678,684 8.555,685 9.425,686 10.305,687 11.178,688 12.059,689 16,693 1,695 1,697 1,699 5,703 2,704 9,705 5,709 6,711 23,722 1,724 1,726 1,731 50,733 23,734 1,735 34,737 54,738 21,739 17,740 2,741 4,746 5,747 6,761 17,762 4,778 1,781 20,782 9,783 3,784 9,790 8,794 0.8,795 1,802 1,805 1,806 1,812 5,816 1,839 1,840 4,848 30,849 1,854 4,855 1,856 1,859 1,870 2,874 1,877 14,878 8.95,879 6.5,880 2.883,881 4.136,882 1.521,883 1.037,884 5.097,885 12.077,886 3.839,887 4.46,888 5.064,889 5.676,890 6.292,891 6.564,892 7.006,893 7.46,894 7.887,895 8.172,896 1,897 47,898 11.016,900 4.688,901 7.644,902 21.088,904 17.26,905 2.144,906 64.333,909 1,910 200.109,911 116.938,912 137.96,914 11,917 116.938,918 211.109,919 137.96,921 13.396,922 89.755,923 130.241,924 61.265,925 6.555,926 164.795,928 200.109,929 254.898,930 11,933 200.109,935 11,937 68.106,938 102.865,939 83.928,941 200.109,942 148.96,943 116.938,946 200.109,947 32.938,948 87.124,949 18.011,950 127.825,951 200.109,952 148.96,953 116.938,955 0.578,956 0.332,957 0.183,958 0.107,959 24,960 9,961 0.074,962 4,963 1,964 1.071,965 4.238,966 277.185,967 0.071,968 28,969 143.207,974 18.676,975 8.187,976 4.182,977 1.993,978 148.96,979 16.797,980 22.442,984 3.76,986 50.908,987 466.007,988 45.5,999 50.443,1000 56.687,1001 0.282,1002 0.656,1003 0.843,1004 0.915,1005 0.922,1006 0.922,1007 5.061,1008 1.618,1009 5.905,1010 4.435,1011 4.554,1012 5.147,1013 1.324,1014 6.681,1015 4.44,1016 6.257,1017 1.405,1018 7.433,1019 4.321,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.852,1025 7.552,1026 1.325,1027 9.057,1028 3.675,1029 6.111,1030 7.36,1031 0.958,1032 10.55,1033 5.894,1034 8.881,1035 1.048,1036 10.737,1037 2.999,1038 6.382,1039 7.896,1040 0.268,1041 12.148,1042 6.124,1043 10.241,1044 1,1045 12.455,1046 2.594,1047 7.927,1048 9.852,1049 0.736,1050 14.723,1051 7.614,1052 11.623,1053 1,1054 14.198,1055 2.275,1056 8.598,1057 10.808,1058 0.188,1059 16.673,1060 8.245,1061 13.022,1062 0.702,1063 15.959,1064 2.136,1065 9.89,1066 12.507,1067 0.57,1068 19.049,1069 9.487,1070 3.034,1071 0.048,1072 17.733,1073 1.626,1074 10.765,1075 13.691,1076 0.125,1077 21.158,1078 10.322,1079 2.919,1080 9.709,1081 19.517,1082 0.134,1083 11.939,1084 15.26,1085 0.439,1086 23.454,1087 11.45,1088 2.711,1089 9.234,1090 21.309,1091 4.338,1092 12.919,1093 16.568,1094 0.082,1095 25.636,1096 12.389,1097 2.471,1098 8.645,1099 23.107,1100 4.033,1101 14.041,1102 18.073,1103 0.334,1104 27.9,1105 13.466,1106 2.275,1107 7.418,1108 24.91,1109 3.553,1110 15.074,1111 19.447,1112 0.054,1113 30.116,1114 14.457,1115 2.008,1116 6.193,1117 26.717,1118 3.097,1119 16.173,1120 20.922,1121 0.252,1122 32.369,1123 15.513,1124 1.725,1125 5.813,1126 28.527,1127 2.957,1128 17.233,1129 22.332,1130 0.035,1131 34.602,1132 16.53,1133 11378,1134 18686,1135 23.75,1136 34.069,1137 50.769,1138 50.873,1139 51.074,1140 50.585,1141 50.576,1142 67.525,1143 4.12,1144 142.413,1145 47.636,1146 5.418,1147 5.188,1148 6.115,1149 5.078,1150 5.034,1151 7.338,1152 1.72,1153 16.18,1154 4.882,1155 7.485,1156 1.493,1157 1.496,1158 1.502,1159 1.488,1160 1.488,1161 1.986,1162 0.121,1163 4.189,1164 1.401,1165 4.077,1166 4.112,1167 4.038,1168 3.996,1169 5.217,1170 4.001,1171 3.951,1172 3.999,1173 3.919,1174 3.795,1175 5.03,1176 3.821,1177 3.776,1178 3.837,1179 3.71,1180 3.563,1181 4.937,1182 3.591,1183 3.639,1184 3.696,1185 3.55,1186 3.454,1187 4.638,1188 3.469,1189 3.443,1190 3.493,1191 3.363,1192 3.322,1193 4.585,1194 3.327,1195 3.111,1196 3.206,1197 2.955,1198 2.941,1199 4.401,1200 2.91,1201 3.045,1202 3.136,1203 2.904,1204 2.86,1205 4.088,1206 2.864,1207 2.999,1208 3.065,1209 2.866,1210 2.833,1211 3.991,1212 2.846,1213 0.13,1214 0.094,1215 0.186,1216 0.117,1217 0.089,1218 4.418,1219 0.128,1220 3.188,1221 0.025,1222 6.313,1223 0.286,1224 3.974,1225 0.085,1226 3.034,1227 4.338,1228 0.86,1229 9.709,1230 2.882,1231 2.032,1232 2.007,1233 2.111,1234 2.128,1235 1.209,1236 2.123,1237 1.863,1238 1.819,1239 1.952,1240 2.048,1241 1.197,1242 2.023,1243 1.698,1244 1.64,1245 1.866,1246 1.933,1247 0.915,1248 1.916,1249 1.571,1250 1.518,1251 1.697,1252 1.784,1253 0.825,1254 1.763,1255 1.419,1256 1.375,1257 1.564,1258 1.573,1259 0.691,1260 1.576,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.566,1266 1.429,1267 0.986,1268 0.927,1269 1.21,1270 1.272,1271 0.265,1272 1.261,1273 0.968,1274 0.9,1275 1.208,1276 1.178,1277 0.243,1278 1.181,1279 4.234,1281 5.549,1283 7.067,1285 8.673,1287 10.321,1293 5.681,1295 2.751,1296 3.353,1297 5.459,1300 2.099,1305 33.047,1306 79.516,1307 185.034,1308 237.928,1309 258.193,1310 260.193,1311 260.193,1312 35.534,1313 7.942,1314 114.97,1315 114.97,1316 30,1317 12.596,1318 4.585,1319 3.644,1320 41.338,1321 116,1322 118,1323 0.168,1324 201.392,1325 334.21,1326 483.156,1327 31061,1329 20.338,1330 0.678,1331 0.54,1332 20.338,1333 16.193,1334 14.742,1335 0.434,1336 0.284,1337 9.487,1338 14.077,1339 9.346,1340 7.69,1341 14.742,1342 9.66,1343 13.231,1344 0.282,1345 0.147,1346 13.231,1347 6.906,1348 11.236,1349 0.181,1350 0.078,1351 11.236,1352 4.805,1353 9.515,1354 0.116,1355 0.04,1356 9.515,1357 3.292,1358 8.268,1359 0.075,1360 0.021,1361 8.268,1362 2.279,1363 0.261,1364 92.905,1365 0.205,1366 28.169,1367 0.471,1368 162,1369 473.251,1370 179.921,1371 461.357,1372 646.44,1373 436,1374 190,1375 490.58,1376 208.727,1377 496.587,1378 727.21,1379 468,1380 5.481}
{0 CHEMBL1672321,1 1.572,2 10.379,3 2.866,4 8.213,5 110.353,6 8.031,7 0.697,8 4.009,9 4.128,10 3.658,11 3.537,12 5.14,13 3.548,14 4.526,15 4.695,16 3.991,17 3.91,18 5.627,19 3.903,20 4.726,21 4.929,22 4.011,23 4.028,24 5.742,25 3.984,26 4.724,27 4.964,28 3.915,29 3.954,30 5.725,31 3.893,32 4.643,33 4.868,34 3.927,35 3.903,36 5.685,37 3.867,38 4.606,39 4.808,40 3.932,41 3.925,42 5.643,43 3.885,44 4.694,45 4.911,46 3.93,47 3.986,48 5.68,49 3.925,50 4.761,51 4.991,52 3.874,53 3.985,54 5.733,55 3.909,56 0.04,57 0.795,58 8.448,59 3.739,60 7.1,61 4.713,62 0.339,63 1.257,64 16.948,65 6.088,66 23.642,67 7.653,68 0.354,69 1.462,70 22.329,71 7.759,72 27.101,73 10.464,74 0.367,75 1.445,76 23.716,77 7.722,78 34.781,79 10.996,80 0.385,81 1.351,82 21.283,83 6.599,84 32.643,85 9.364,86 0.34,87 1.343,88 19.06,89 6.72,90 23.668,91 9.045,92 0.315,93 1.389,94 22.014,95 7.978,96 26.266,97 11.01,98 0.295,99 1.421,100 24.672,101 8.627,102 34.942,103 11.918,105 45,106 0.263,107 0.609,108 0.772,109 0.835,110 0.842,111 0.842,112 3.409,113 0.858,114 -3.84,115 -3.8,116 -3.61,119 43.8,125 4,142 6,143 2,144 1,145 3,146 2,147 1,148 1,150 1,172 5,174 4,175 7,178 1,180 2,183 6,186 1,187 3,190 1,192 1,195 4,198 2,199 7,202 2,204 2,207 2,211 3,212 2,217 2,220 1,223 4,224 3,227 2,229 1,232 2,236 2,237 7,240 1,245 3,250 5,258 2,262 4,263 7,271 2,275 1411,276 20.378,277 20.378,278 20.378,279 20.378,280 20.378,281 17.751,282 19.942,283 12.392,284 21.008,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.479,291 34.862,292 5.993,293 17.403,294 4.013,295 1.939,296 0.964,297 0.583,298 0.542,299 0.542,300 4.128,304 1,305 1,306 676,307 2.236,311 418.296,315 128.959,318 1.47,319 20.585,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 62.5,331 301,332 4.417,333 3.187,334 6.312,335 3.975,336 3.031,337 4.338,338 0.86,339 9.705,340 2.888,341 4.352,342 2.966,343 6.184,344 3.895,345 2.918,346 4.02,347 0.8,348 9.234,349 2.841,350 3.952,351 2.823,352 6.016,353 3.626,354 2.684,355 3.437,356 0.4,357 8.629,358 2.51,359 3.737,360 2.595,361 5.502,362 3.399,363 2.453,364 3.091,366 7.41,367 2.317,368 3.453,369 2.308,370 5.015,371 3.03,372 2.076,373 2.749,375 5.98,376 1.978,377 3.172,378 2.071,379 4.477,380 2.661,381 1.741,382 2.456,384 4.54,385 1.6,386 3.118,387 1.748,388 4.401,389 2.599,390 1.697,391 2.427,393 4.339,394 1.563,395 2.911,396 1.618,397 4.283,398 2.586,399 1.618,400 2.078,402 4.065,403 1.524,404 2.872,405 1.436,406 3.616,407 2.391,408 1.397,409 1.949,411 3.001,412 1.387,413 2.564,414 1.385,415 3.511,416 2.052,417 1.146,418 1.593,420 2.705,421 1.037,422 2.5,423 1.256,424 3.472,425 1.952,426 1,427 1.5,428 2.509,429 0.946,430 2.201,431 1.057,432 3.247,433 1.917,434 1,435 1.171,436 2.136,437 0.916,438 2.184,439 1,440 3.247,441 1.906,442 1,443 1.036,445 2.136,446 0.899,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.671,456 1.367,457 0.185,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 13.633,466 0.47,467 0.496,468 0.017,469 43.75,470 1.509,471 23,472 0.793,473 20.75,474 0.716,475 19.55,476 0.674,477 29.567,478 0.616,479 31.127,480 1.073,481 8.65,482 0.298,483 5.699,484 0.197,487 0.286,493 0.917,494 1.472,495 0.696,496 1.114,497 0.778,498 0.911,499 1.283,500 0.957,501 0.943,502 0.866,503 1.026,504 0.862,505 1.122,506 1.148,507 1.014,508 1.003,509 1.018,510 0.997,511 0.859,512 0.995,513 0.964,514 0.943,515 1.027,516 0.953,517 0.976,518 1.054,519 0.942,520 0.868,521 1.019,522 0.877,523 0.9,524 0.978,525 1.033,526 1.024,527 0.86,528 1.037,529 0.825,530 1.032,531 0.966,532 1.045,533 0.844,534 1.026,535 1.069,536 1.107,537 1.044,538 1.092,539 1.147,540 1.069,541 4.5,542 0.074,543 2.222,544 1.25,545 1.111,546 0.875,547 0.547,548 0.2,549 0.217,550 0.208,551 11405,552 29802,553 2.237,554 39.6,556 14,558 4,559 1,564 1.725,565 2.203,566 3.364,567 -0.302,568 1,569 1,573 75.477,574 1.572,575 3.646,576 4.621,577 5.002,578 5.043,579 5.043,580 2.715,581 3.906,582 4.83,583 3.513,584 1426.08,585 8.441,586 19295.6,588 1,590 1,591 268.078,592 0.85,593 4.832,594 0.136,595 0.003,596 0.049,597 0.028,598 0.028,599 0.021,600 0.013,601 0.005,602 0.006,603 0.006,604 0.296,605 0.33,606 0.88,608 146.182,609 -0.057,610 -0.334,611 0.075,612 -0.141,613 0.004,614 -0.033,615 -0.072,616 0.139,617 -0.054,618 0.068,619 -0.022,620 0.012,621 -0.099,622 -0.124,623 -0.076,624 -0.041,625 -0.083,626 -0.057,627 0.011,628 0.017,629 0.018,630 0.004,631 -0.015,632 0.012,633 0.006,634 -0.007,635 0.024,636 0.058,638 0.052,639 0.039,640 0.101,641 -0.121,642 -0.092,643 0.001,644 -0.127,645 0.046,646 -0.033,647 -0.019,648 -0.062,649 0.03,650 -0.051,651 -0.118,652 -0.155,653 -0.057,654 -0.098,655 -0.133,656 -0.071,657 1.008,658 1.962,659 0.966,660 26.243,661 1.007,662 1.129,663 2.615,664 6.836,665 0.689,666 3.526,667 3.829,668 4.111,669 4.394,670 4.673,671 4.71,672 4.905,673 5.056,674 5.204,675 5.278,676 6.398,677 0.667,678 385.47,679 3.526,680 5.056,681 5.905,682 6.774,683 7.638,684 8.513,685 9.383,686 10.261,687 11.134,688 12.014,689 14.6,695 1,697 1,699 5,703 2,704 10,705 5,709 5,711 23,724 1,726 1,731 48,733 23,734 1,735 33,737 52,738 21,739 17,740 2,741 4,746 5,747 6,761 17,762 4,778 1,781 19,782 8,783 1,784 8,790 7,794 0.8,795 1,805 1,806 2,812 5,816 1,839 1,840 4,848 29,854 4,855 1,856 1,859 1,870 2.1,874 1,877 13.167,878 8.7,879 6.333,880 2.833,881 4.102,882 1.522,883 1.033,884 4.891,885 11.966,886 3.818,887 4.425,888 5.035,889 5.652,890 6.261,891 6.513,892 6.978,893 7.415,894 7.843,895 8.099,896 0.857,897 45,898 10.655,900 4.516,901 7.592,902 20.52,904 16.795,905 2.092,906 60.667,909 1,910 211.88,911 123.658,912 105.063,914 11,917 123.658,918 222.88,919 105.063,921 13.396,922 56.857,923 142.012,924 70.312,925 4.227,926 164.795,928 211.88,929 228.72,930 11,933 211.88,935 11,937 73.968,938 70.825,939 83.928,941 211.88,942 116.063,943 123.658,946 211.88,947 31.039,948 95.743,949 18.011,950 94.928,951 211.88,952 116.063,953 123.658,955 0.571,956 0.332,957 0.188,958 0.108,959 23,960 8,961 0.077,962 4,963 1,964 1.071,965 4.181,966 264.74,967 0.071,968 28,969 132.881,974 17.776,975 7.979,976 3.959,977 2.022,978 116.063,979 18.796,980 22.228,984 3.816,986 18.011,987 451.6,988 44.5,999 48.342,1000 54.189,1001 0.282,1002 0.653,1003 0.827,1004 0.896,1005 0.903,1006 0.903,1007 5.029,1008 1.618,1009 5.855,1010 4.339,1011 4.511,1012 5.112,1013 1.324,1014 6.627,1015 4.401,1016 6.214,1017 1.397,1018 7.376,1019 4.065,1020 3.892,1021 4.745,1022 0.325,1023 7.391,1024 3.757,1025 7.501,1026 1.146,1027 8.996,1028 3.001,1029 6.057,1030 7.313,1031 0.958,1032 10.507,1033 5.854,1034 8.824,1035 1,1036 10.678,1037 2.705,1038 6.293,1039 7.81,1040 0.268,1041 12.116,1042 6.068,1043 10.18,1044 1,1045 12.399,1046 2.509,1047 7.872,1048 9.803,1049 0.736,1050 14.697,1051 7.587,1052 11.561,1053 1,1054 14.147,1055 2.136,1056 8.531,1057 10.743,1058 0.188,1059 16.656,1060 8.22,1061 12.96,1062 0.702,1063 15.913,1064 2.136,1065 9.84,1066 12.461,1067 0.57,1068 19.034,1069 9.476,1070 3.031,1071 0.048,1072 17.693,1073 1.626,1074 10.713,1075 13.64,1076 0.125,1077 21.147,1078 10.319,1079 2.918,1080 9.705,1081 19.482,1082 0.134,1083 11.896,1084 15.22,1085 0.439,1086 23.443,1087 11.456,1088 2.684,1089 9.234,1090 21.279,1091 4.338,1092 12.876,1093 16.527,1094 0.082,1095 25.627,1096 12.402,1097 2.453,1098 8.629,1099 23.081,1100 4.02,1101 14.002,1102 18.038,1103 0.334,1104 27.892,1105 13.486,1106 2.076,1107 7.41,1108 24.887,1109 3.437,1110 15.036,1111 19.414,1112 0.054,1113 30.108,1114 14.483,1115 1.741,1116 5.98,1117 26.697,1118 3.091,1119 16.138,1120 20.893,1121 0.252,1122 32.362,1123 15.544,1124 1.697,1125 4.54,1126 28.51,1127 2.749,1128 17.199,1129 22.304,1130 0.035,1131 34.595,1132 16.567,1133 10400,1134 16966,1135 23.345,1136 33.063,1137 49.145,1138 49.324,1139 49.063,1140 49.007,1141 49.022,1142 65.815,1143 4.12,1144 136.296,1145 46.242,1146 5.417,1147 5.187,1148 6.114,1149 5.079,1150 5.031,1151 7.338,1152 1.72,1153 16.172,1154 4.888,1156 1.489,1157 1.495,1158 1.487,1159 1.485,1160 1.486,1161 1.994,1162 0.125,1163 4.13,1164 1.401,1165 4.077,1166 4.111,1167 4.037,1168 3.996,1169 5.086,1170 4.001,1171 3.951,1172 3.996,1173 3.916,1174 3.809,1175 4.992,1176 3.831,1177 3.766,1178 3.824,1179 3.689,1180 3.557,1181 4.884,1182 3.581,1183 3.624,1184 3.682,1185 3.541,1186 3.442,1187 4.599,1188 3.457,1189 3.435,1190 3.486,1191 3.356,1192 3.305,1193 4.405,1194 3.313,1195 3.111,1196 3.206,1197 2.915,1198 2.941,1199 4.097,1200 2.91,1201 3.004,1202 3.071,1203 2.866,1204 2.859,1205 3.962,1206 2.859,1207 2.94,1208 3.003,1209 2.844,1210 2.705,1211 3.918,1212 2.728,1213 0.134,1214 0.097,1215 0.191,1216 0.12,1217 0.092,1218 4.417,1219 0.131,1220 3.187,1221 0.026,1222 6.312,1223 0.294,1224 3.975,1225 0.088,1226 3.031,1227 4.338,1228 0.86,1229 9.705,1230 2.888,1231 2.033,1232 2.007,1233 2.111,1234 2.128,1235 1.21,1236 2.123,1237 1.873,1238 1.832,1239 1.96,1240 2.046,1241 1.197,1242 2.024,1243 1.695,1244 1.637,1245 1.877,1246 1.923,1247 0.959,1248 1.911,1249 1.556,1250 1.503,1251 1.684,1252 1.766,1253 0.825,1254 1.745,1255 1.407,1256 1.36,1257 1.548,1258 1.566,1259 0.698,1260 1.567,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.546,1266 1.429,1267 0.983,1268 0.926,1269 1.209,1270 1.178,1271 0.262,1272 1.182,1273 0.842,1274 0.776,1275 1.103,1276 1.14,1277 0.242,1278 1.135,1279 4.205,1281 5.509,1283 7.024,1285 8.627,1287 10.275,1295 2.843,1296 3.373,1297 5.462,1300 2.126,1305 32.025,1306 75.477,1307 174.985,1308 221.814,1309 240.078,1310 242.078,1311 242.078,1312 32.12,1313 7.864,1314 88.95,1315 88.95,1316 30,1317 12.551,1318 4.585,1319 3.644,1320 39.362,1321 109,1322 111,1323 0.17,1324 194.598,1325 323.21,1326 466.578,1327 28382,1329 19.468,1330 0.671,1331 0.541,1332 19.468,1333 15.693,1334 14.348,1335 0.435,1336 0.286,1337 9.275,1338 13.71,1339 9.132,1340 7.518,1341 14.348,1342 9.441,1343 12.609,1344 0.28,1345 0.149,1346 12.609,1347 6.707,1348 10.826,1349 0.18,1350 0.079,1351 10.826,1352 4.727,1353 9.363,1354 0.117,1355 0.041,1356 9.363,1357 3.27,1358 8.044,1359 0.076,1360 0.021,1361 8.044,1362 2.245,1363 0.264,1364 90.345,1365 0.207,1366 27.364,1367 0.478,1368 156,1369 455.939,1370 172.228,1371 443.191,1372 620.57,1373 420,1374 183,1375 467.031,1376 200.118,1377 474.026,1378 692.97,1379 446,1380 6.347}
{0 CHEMBL1672322,1 1.643,2 10.867,3 3.12,4 9.731,5 111.961,6 8.193,7 0.676,8 4.038,9 4.152,10 3.692,11 3.544,12 5.208,13 3.566,14 4.546,15 4.706,16 4.045,17 3.92,18 5.73,19 3.922,20 4.752,21 4.951,22 4.059,23 4.039,24 5.818,25 4.008,26 4.75,27 4.981,28 3.947,29 3.971,30 5.793,31 3.918,32 4.672,33 4.899,34 3.953,35 3.918,36 5.72,37 3.885,38 4.623,39 4.818,40 3.985,41 3.935,42 5.729,43 3.906,44 4.723,45 4.931,46 3.983,47 4.001,48 5.76,49 3.954,50 4.795,51 5.017,52 3.965,53 4.004,54 5.854,55 3.941,56 0.096,57 0.807,58 8.454,59 3.812,60 10.441,61 4.594,62 0.448,63 1.268,64 16.697,65 6.192,66 33.458,67 7.698,68 0.441,69 1.485,70 22.515,71 7.724,72 32.587,73 10.277,74 0.462,75 1.458,76 23.901,77 7.798,78 43.731,79 10.843,80 0.448,81 1.369,82 21.884,83 6.815,84 35.592,85 9.691,86 0.415,87 1.35,88 18.821,89 6.793,90 29.856,91 9.006,92 0.403,93 1.409,94 22.205,95 8.005,96 32.341,97 10.782,98 0.481,99 1.442,100 25.213,101 8.848,102 45.613,103 12.241,104 2,105 47,106 0.273,107 0.634,108 0.777,109 0.839,110 0.846,111 0.846,112 3.441,113 0.847,114 -3.51,115 -3.49,116 -3.33,119 42.9,125 4,142 6,143 2,144 1,145 3,146 2,147 1,150 2,172 5,174 4,175 7,178 3,180 2,183 6,186 1,187 3,190 1,192 1,195 4,198 2,199 7,202 2,204 3,207 2,211 3,212 2,217 2,220 1,223 4,224 3,227 3,229 2,232 2,236 2,237 7,240 1,245 3,250 5,253 2,254 1,258 2,262 4,263 7,271 2,275 1560,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.174,282 22.098,283 12.478,284 21.503,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 12.884,291 36.024,292 6.03,293 17.975,294 3.971,295 1.804,296 0.944,297 0.571,298 0.531,299 0.531,300 4.157,304 1,305 1,306 728,307 2.345,311 438.974,315 135.495,318 1.493,319 25.883,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 65.5,331 326,332 4.418,333 3.188,334 6.313,335 3.979,336 3.034,337 4.338,338 0.86,339 9.709,340 2.889,341 4.358,342 2.966,343 6.184,344 3.896,345 2.919,346 4.033,347 0.8,348 9.234,349 2.844,350 4.009,351 2.856,352 6.02,353 3.645,354 2.711,355 3.553,356 0.4,357 8.645,358 2.52,359 3.74,360 2.654,361 5.504,362 3.41,363 2.471,364 3.097,366 7.418,367 2.321,368 3.627,369 2.473,370 5.079,371 3.184,372 2.275,373 2.957,375 6.193,376 2.068,377 3.377,378 2.288,379 4.959,380 2.953,381 2.008,382 2.669,384 5.813,385 1.883,386 3.118,387 2.041,388 4.442,389 2.628,390 1.725,391 2.427,393 4.435,394 1.565,395 2.941,396 1.618,397 4.394,398 2.586,399 1.618,400 2.094,402 4.321,403 1.549,404 2.874,405 1.521,406 4.185,407 2.396,408 1.405,409 1.998,411 3.675,412 1.391,413 2.742,414 1.395,415 3.616,416 2.261,417 1.325,418 1.825,420 2.999,421 1.235,422 2.5,423 1.273,424 3.491,425 1.952,426 1.048,427 1.5,428 2.594,429 0.946,430 2.202,431 1.256,432 3.414,433 1.927,434 1,435 1.175,436 2.275,437 0.916,438 2.184,439 1,440 3.247,441 1.917,442 1,443 1.036,445 2.136,446 0.916,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.367,457 0.187,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 13.967,466 0.466,467 0.602,468 0.02,469 45,470 1.5,471 23.5,472 0.783,473 21.5,474 0.717,475 20.566,476 0.686,477 31.033,478 0.633,479 33.174,480 1.106,481 8.89,482 0.296,483 5.852,484 0.195,485 0.024,487 0.315,493 0.968,494 1.461,495 0.704,496 1.092,497 0.919,498 0.891,499 0.984,500 0.975,501 0.882,502 0.885,503 0.643,504 0.873,505 1.019,506 1.145,507 0.995,508 0.989,509 0.758,510 0.982,511 0.864,512 1.017,513 1.006,514 0.971,515 0.935,516 0.996,517 0.807,518 1.05,519 0.901,520 0.867,521 0.67,522 0.873,523 0.755,524 0.995,525 0.982,526 1.038,527 0.599,528 1.04,529 0.841,530 1.042,531 0.972,532 1.049,533 0.832,534 1.031,535 0.802,536 1.117,537 0.968,538 1.106,539 0.778,540 1.077,541 5.5,542 0.124,543 2.667,544 1.313,545 1.302,546 0.986,547 0.625,548 0.302,549 0.303,550 0.287,551 12402,552 34705,553 2.207,554 38.8,556 14,558 3,559 2,564 1.734,565 2.143,566 3.416,567 0.276,568 1,569 1,573 80.52,574 1.643,575 3.811,576 4.671,577 5.043,578 5.084,579 5.084,580 2.836,581 4.44,582 4.878,583 3.561,584 1549.1,585 8.539,586 21517.4,588 1,590 1,591 275.121,592 1.075,593 4.87,594 0.162,595 0.004,596 0.057,597 0.028,598 0.032,599 0.023,600 0.015,601 0.007,602 0.007,603 0.008,604 0.343,605 0.33,606 0.88,607 0.327,608 153.104,609 -0.116,610 -0.313,611 0.051,612 -0.103,613 -0.112,614 -0.014,615 0.064,616 0.135,617 -0.017,618 0.061,619 0.139,620 0.005,621 -0.112,622 -0.106,623 -0.07,624 -0.028,625 -0.033,626 -0.039,627 -0.045,628 0.002,629 -0.038,630 -0.02,631 -0.089,632 -0.027,633 0.006,634 -0.007,635 0.058,636 0.071,637 0.001,638 0.081,639 0.081,640 0.095,641 -0.089,642 -0.097,643 0.096,644 -0.124,645 -0.006,646 -0.03,647 -0.037,648 -0.065,649 -0.043,650 -0.056,651 0.081,652 -0.16,653 0.014,654 -0.109,655 0.062,656 -0.07,657 1.943,658 3.402,659 0.933,660 28.533,661 1.014,662 1.131,663 2.282,664 5.206,665 0.684,666 3.555,667 3.871,668 4.143,669 4.419,670 4.71,671 4.762,672 4.934,673 5.106,674 5.257,675 5.357,676 6.587,677 0.668,678 401.47,679 3.555,680 5.094,681 5.943,682 6.815,683 7.678,684 8.555,685 9.425,686 10.305,687 11.178,688 12.059,689 14.3,695 1,697 1,699 5,703 2,704 9,705 5,709 6,711 23,724 1,726 1,728 1,731 49,733 23,734 1,735 34,737 53,738 21,739 17,740 2,741 4,746 5,747 6,761 17,762 4,778 1,781 19,782 9,783 2,784 9,790 7,794 0.8,795 2,805 1,806 2,812 5,816 1,839 1,840 4,848 30,853 1,854 4,855 1,856 1,859 1,870 4.1,872 1,874 1,877 14,878 8.817,879 6.5,880 2.85,881 4.136,882 1.521,883 1.005,884 5.097,885 12.077,886 3.839,887 4.46,888 5.064,889 5.676,890 6.292,891 6.564,892 7.006,893 7.46,894 7.887,895 8.172,896 1,897 47,898 11.022,900 4.71,901 7.711,902 20.996,904 17.189,905 2.211,906 66.333,909 1,910 200.109,911 115.039,912 105.063,914 53.683,917 115.039,918 253.792,919 105.063,921 13.396,922 56.857,923 172.924,924 61.693,925 4.227,926 164.795,928 200.109,929 220.102,930 53.683,933 200.109,934 42.683,935 11,937 65.349,938 70.825,939 83.928,941 200.109,942 158.746,943 115.039,946 200.109,947 31.039,948 87.124,949 18.011,950 137.611,951 200.109,952 158.746,953 115.039,955 0.578,956 0.332,957 0.183,958 0.107,959 24,960 9,961 0.075,962 4,963 1,964 1.071,965 4.238,966 277.185,967 0.071,968 28,969 139.207,974 18.676,975 8.187,976 4.182,977 1.971,978 158.746,979 16.657,980 21.627,984 3.119,986 60.694,987 473.894,988 45.5,999 49.669,1000 55.398,1001 0.293,1002 0.679,1003 0.832,1004 0.898,1005 0.905,1006 0.905,1007 5.061,1008 1.618,1009 5.905,1010 4.435,1011 4.554,1012 5.147,1013 1.324,1014 6.681,1015 4.436,1016 6.257,1017 1.405,1018 7.433,1019 4.321,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.844,1025 7.552,1026 1.325,1027 9.057,1028 3.675,1029 6.111,1030 7.36,1031 0.958,1032 10.55,1033 5.892,1034 8.881,1035 1.048,1036 10.737,1037 2.999,1038 6.382,1039 7.896,1040 0.268,1041 12.148,1042 6.125,1043 10.241,1044 1,1045 12.455,1046 2.594,1047 7.927,1048 9.852,1049 0.736,1050 14.723,1051 7.619,1052 11.623,1053 1,1054 14.198,1055 2.275,1056 8.598,1057 10.808,1058 0.188,1059 16.673,1060 8.257,1061 13.022,1062 0.702,1063 15.959,1064 2.136,1065 9.89,1066 12.507,1067 0.57,1068 19.049,1069 9.503,1070 3.034,1071 0.048,1072 17.733,1073 1.626,1074 10.765,1075 13.691,1076 0.125,1077 21.158,1078 10.346,1079 2.919,1080 9.709,1081 19.517,1082 0.134,1083 11.939,1084 15.26,1085 0.439,1086 23.454,1087 11.477,1088 2.711,1089 9.234,1090 21.309,1091 4.338,1092 12.919,1093 16.568,1094 0.082,1095 25.636,1096 12.423,1097 2.471,1098 8.645,1099 23.107,1100 4.033,1101 14.041,1102 18.073,1103 0.334,1104 27.9,1105 13.504,1106 2.275,1107 7.418,1108 24.91,1109 3.553,1110 15.074,1111 19.447,1112 0.054,1113 30.116,1114 14.501,1115 2.008,1116 6.193,1117 26.717,1118 3.097,1119 16.173,1120 20.922,1121 0.252,1122 32.369,1123 15.561,1124 1.725,1125 5.813,1126 28.527,1127 2.957,1128 17.233,1129 22.332,1130 0.035,1131 34.602,1132 16.583,1133 11378,1134 19206,1135 23.75,1136 33.517,1137 50.769,1138 50.827,1139 51.074,1140 50.622,1141 50.576,1142 67.525,1143 4.12,1144 142.413,1145 47.517,1146 5.418,1147 5.188,1148 6.115,1149 5.082,1150 5.034,1151 7.338,1152 1.72,1153 16.18,1154 4.889,1155 7.485,1156 1.493,1157 1.495,1158 1.502,1159 1.489,1160 1.488,1161 1.986,1162 0.121,1163 4.189,1164 1.398,1165 4.077,1166 4.111,1167 4.038,1168 3.996,1169 6.482,1170 4.001,1171 3.953,1172 3.996,1173 3.92,1174 3.809,1175 5.053,1176 3.831,1177 3.77,1178 3.824,1179 3.704,1180 3.556,1181 4.958,1182 3.583,1183 3.629,1184 3.683,1185 3.546,1186 3.441,1187 4.778,1188 3.459,1189 3.438,1190 3.486,1191 3.36,1192 3.305,1193 4.597,1194 3.315,1195 3.111,1196 3.206,1197 2.928,1198 2.941,1199 4.404,1200 2.91,1201 3.006,1202 3.072,1203 2.893,1204 2.859,1205 4.091,1206 2.86,1207 2.963,1208 3.005,1209 2.866,1210 2.715,1211 3.962,1212 2.758,1213 0.13,1214 0.094,1215 0.186,1216 0.117,1217 0.089,1218 4.418,1219 0.128,1220 3.188,1221 0.025,1222 6.313,1223 0.286,1224 3.979,1225 0.085,1226 3.034,1227 4.338,1228 0.86,1229 9.709,1230 2.889,1231 2.033,1232 2.007,1233 2.111,1234 2.128,1235 1.21,1236 2.123,1237 1.871,1238 1.832,1239 1.957,1240 2.046,1241 1.197,1242 2.022,1243 1.692,1244 1.637,1245 1.869,1246 1.924,1247 0.957,1248 1.907,1249 1.553,1250 1.503,1251 1.673,1252 1.769,1253 0.825,1254 1.742,1255 1.405,1256 1.36,1257 1.538,1258 1.567,1259 0.695,1260 1.566,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.535,1266 1.429,1267 0.983,1268 0.926,1269 1.209,1270 1.179,1271 0.261,1272 1.182,1273 0.842,1274 0.791,1275 1.102,1276 1.151,1277 0.242,1278 1.136,1279 4.234,1281 5.549,1283 7.067,1285 8.673,1287 10.321,1294 9.402,1295 2.694,1296 3.335,1297 5.447,1300 2.081,1305 32.74,1306 80.52,1307 186.717,1308 228.856,1309 247.121,1310 249.121,1311 249.121,1312 36.277,1313 7.942,1314 109.18,1315 109.18,1316 30,1317 12.596,1318 4.585,1319 3.644,1320 41.338,1321 116,1322 118,1323 0.168,1324 198.594,1325 332,1326 476.329,1327 31061,1329 20.338,1330 0.678,1331 0.535,1332 20.338,1333 16.063,1334 14.742,1335 0.434,1336 0.282,1337 9.417,1338 14.045,1339 9.286,1340 7.632,1341 14.742,1342 9.595,1343 13.231,1344 0.282,1345 0.146,1346 13.231,1347 6.851,1348 11.236,1349 0.181,1350 0.078,1351 11.236,1352 4.805,1353 9.515,1354 0.116,1355 0.04,1356 9.515,1357 3.292,1358 8.268,1359 0.075,1360 0.021,1361 8.268,1362 2.277,1363 0.261,1364 93.193,1365 0.205,1366 28.169,1367 0.471,1368 162,1369 496.089,1370 181.219,1371 479.417,1372 666.24,1373 452,1374 190,1375 500.765,1376 209.112,1377 505.648,1378 741.35,1379 476,1380 6.111}
{0 CHEMBL1672323,1 1.59,2 10.867,3 2.64,4 6.971,5 114.967,6 8.01,7 0.676,8 4.052,9 4.179,10 3.69,11 3.558,12 5.201,13 3.573,14 4.561,15 4.732,16 4.039,17 3.934,18 5.7,19 3.93,20 4.767,21 4.974,22 4.056,23 4.054,24 5.812,25 4.017,26 4.762,27 4.999,28 3.947,29 3.991,30 5.783,31 3.929,32 4.696,33 4.93,34 3.952,35 3.935,36 5.721,37 3.894,38 4.629,39 4.829,40 3.98,41 3.948,42 5.701,43 3.913,44 4.737,45 4.953,46 3.98,47 4.019,48 5.748,49 3.964,50 4.813,51 5.045,52 3.957,53 4.026,54 5.823,55 3.954,56 0.069,57 0.845,58 9.054,59 3.736,60 9.416,61 4.81,62 0.38,63 1.31,64 17.656,65 6.369,66 28.379,67 8.19,68 0.412,69 1.525,70 23.493,71 7.633,72 31.804,73 10.556,74 0.396,75 1.487,76 24.403,77 7.807,78 38.707,79 11.28,80 0.418,81 1.39,82 23.044,83 7.011,84 34.481,85 10.272,86 0.364,87 1.377,88 19.439,89 6.828,90 26.221,91 9.329,92 0.357,93 1.451,94 22.926,95 7.946,96 29.498,97 11.141,98 0.364,99 1.493,100 26.038,101 9.072,102 40.256,103 12.771,104 2,105 47,106 0.264,107 0.62,108 0.775,109 0.836,110 0.843,111 0.843,112 3.441,113 0.852,114 -3.51,115 -3.49,116 -3.33,119 42,125 4,142 6,143 2,144 1,145 3,146 2,147 1,150 2,163 1,164 1,165 1,172 5,174 4,175 7,177 2,178 3,180 2,183 6,186 1,187 3,190 1,192 1,195 4,198 2,199 7,202 2,204 3,207 2,209 1,211 3,212 2,217 2,220 1,223 4,224 3,226 1,227 3,229 2,232 2,234 1,236 2,237 7,240 1,245 3,250 5,252 2,253 2,254 1,257 1,258 2,262 4,263 7,271 2,275 1560,276 20.825,277 20.825,278 20.825,279 20.825,280 20.825,281 18.174,282 23.104,283 12.478,284 21.48,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 12.884,291 37.362,292 6.03,293 17.927,294 4.054,295 1.903,296 0.965,297 0.6,298 0.56,299 0.56,300 4.157,304 1,305 1,306 728,307 2.345,311 438.974,315 135.495,318 1.493,319 23.577,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 65,331 326,332 4.418,333 3.188,334 6.313,335 3.979,336 3.034,337 4.338,338 0.86,339 9.709,340 2.89,341 4.358,342 2.966,343 6.184,344 3.896,345 2.919,346 4.033,347 0.8,348 9.234,349 2.845,350 4.009,351 2.843,352 6.02,353 3.647,354 2.711,355 3.553,356 0.4,357 8.645,358 2.523,359 3.74,360 2.625,361 5.504,362 3.411,363 2.471,364 3.097,366 7.418,367 2.322,368 3.627,369 2.392,370 5.079,371 3.198,372 2.275,373 2.957,375 6.193,376 2.098,377 3.377,378 2.27,379 4.959,380 2.957,381 2.008,382 2.669,384 5.813,385 1.899,386 3.118,387 2.033,388 4.442,389 2.628,390 1.725,391 2.427,393 4.435,394 1.565,395 2.941,396 1.618,397 4.394,398 2.586,399 1.618,400 2.094,402 4.321,403 1.55,404 2.874,405 1.51,406 4.185,407 2.396,408 1.405,409 1.998,411 3.675,412 1.391,413 2.742,414 1.394,415 3.616,416 2.266,417 1.325,418 1.825,420 2.999,421 1.243,422 2.5,423 1.256,424 3.491,425 1.952,426 1.048,427 1.5,428 2.594,429 0.946,430 2.202,431 1.255,432 3.414,433 1.928,434 1,435 1.175,436 2.275,437 0.916,438 2.184,439 1,440 3.247,441 1.917,442 1,443 1.036,445 2.136,446 0.916,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.367,457 0.186,458 2.968,459 0.99,460 0.048,461 0.061,463 0.134,464 0.045,465 14.033,466 0.468,467 0.602,468 0.02,469 45,470 1.5,471 23.5,472 0.783,473 21.5,474 0.717,475 20.671,476 0.689,477 30.967,478 0.619,479 33.069,480 1.102,481 8.873,482 0.296,483 5.869,484 0.196,485 0.029,487 0.314,493 0.995,494 1.447,495 0.724,496 1.078,497 1.006,498 0.887,499 1.135,500 0.95,501 0.887,502 0.896,503 0.778,504 0.872,505 1.181,506 1.137,507 1.025,508 0.971,509 0.975,510 0.973,511 0.876,512 1.027,513 1.011,514 1.002,515 1.027,516 1.013,517 0.908,518 1.032,519 0.897,520 0.864,521 0.855,522 0.861,523 0.84,524 0.997,525 0.994,526 1.05,527 0.702,528 1.043,529 0.882,530 1.051,531 0.989,532 1.05,533 0.911,534 1.034,535 0.912,536 1.091,537 0.979,538 1.124,539 0.912,540 1.079,541 5.5,542 0.124,543 2.667,544 1.313,545 1.302,546 0.986,547 0.625,548 0.302,549 0.303,550 0.287,551 12402,552 33035,553 2.207,554 40,556 14,558 3,559 3,564 1.734,565 2.143,566 3.416,567 0.933,568 1,569 1,573 79.516,574 1.59,575 3.741,576 4.679,577 5.044,578 5.084,579 5.084,580 2.836,581 4.44,582 4.878,583 3.561,584 1549.1,585 8.539,586 21517.4,588 1,590 1,591 282.193,592 1.075,593 4.87,594 0.162,595 0.004,596 0.057,597 0.028,598 0.032,599 0.023,600 0.015,601 0.007,602 0.007,603 0.008,604 0.343,605 0.33,606 0.88,607 0.327,608 153.104,609 -0.114,610 -0.273,611 0.057,612 -0.089,613 -0.135,614 -0.001,615 0.031,616 0.154,618 0.061,619 0.131,620 0.02,621 -0.147,622 -0.098,623 -0.089,624 -0.01,625 -0.089,626 -0.037,627 -0.023,628 -0.011,629 -0.046,630 -0.046,631 -0.089,632 -0.048,633 0.025,634 -0.016,635 0.077,636 0.086,637 0.018,638 0.095,639 0.077,640 0.09,641 -0.093,642 -0.1,643 0.09,644 -0.124,645 -0.002,646 -0.034,647 -0.052,648 -0.065,649 -0.057,650 -0.064,651 0.014,652 -0.138,653 0.001,654 -0.12,655 0.023,656 -0.075,657 1.443,658 1.961,659 0.933,660 28.533,661 1.009,662 1.134,663 2.282,664 5.206,665 0.681,666 3.555,667 3.871,668 4.143,669 4.419,670 4.71,671 4.762,672 4.934,673 5.106,674 5.257,675 5.357,676 6.587,677 0.661,678 400.49,679 3.555,680 5.094,681 5.943,682 6.815,683 7.678,684 8.555,685 9.425,686 10.305,687 11.178,688 12.059,689 16,693 1,695 1,697 1,699 5,703 2,704 9,705 5,709 6,711 23,722 1,724 1,726 1,731 50,733 23,734 1,735 34,737 54,738 21,739 17,740 2,741 4,746 5,747 6,761 17,762 4,778 1,781 20,782 9,783 3,784 9,790 8,794 0.8,795 1,805 1,806 2,812 5,816 1,839 1,840 4,848 30,849 1,854 4,855 1,856 1,859 1,870 2,874 1,877 14,878 8.95,879 6.5,880 2.883,881 4.136,882 1.521,883 1.037,884 5.097,885 12.077,886 3.839,887 4.46,888 5.064,889 5.676,890 6.292,891 6.564,892 7.006,893 7.46,894 7.887,895 8.172,896 1,897 47,898 11.013,900 4.684,901 7.644,902 21.088,904 17.26,905 2.144,906 64.333,909 1,910 200.109,911 116.938,912 137.96,914 11,917 116.938,918 211.109,919 137.96,921 13.396,922 89.755,923 130.241,924 61.693,925 6.126,926 164.795,928 200.109,929 254.898,930 11,933 200.109,935 11,937 67.248,938 103.722,939 83.928,941 200.109,942 148.96,943 116.938,946 200.109,947 32.938,948 87.124,949 18.011,950 127.825,951 200.109,952 148.96,953 116.938,955 0.578,956 0.332,957 0.183,958 0.107,959 24,960 9,961 0.074,962 4,963 1,964 1.071,965 4.238,966 277.185,967 0.071,968 28,969 139.207,974 18.676,975 8.187,976 4.182,977 1.997,978 148.96,979 17.022,980 22.15,984 3.837,986 50.908,987 466.007,988 45.5,999 50.443,1000 56.687,1001 0.282,1002 0.663,1003 0.829,1004 0.894,1005 0.901,1006 0.901,1007 5.061,1008 1.618,1009 5.905,1010 4.435,1011 4.554,1012 5.147,1013 1.324,1014 6.681,1015 4.44,1016 6.257,1017 1.405,1018 7.433,1019 4.321,1020 4.007,1021 4.856,1022 0.325,1023 7.455,1024 3.854,1025 7.552,1026 1.325,1027 9.057,1028 3.675,1029 6.111,1030 7.36,1031 0.958,1032 10.55,1033 5.898,1034 8.881,1035 1.048,1036 10.737,1037 2.999,1038 6.382,1039 7.896,1040 0.268,1041 12.148,1042 6.134,1043 10.241,1044 1,1045 12.455,1046 2.594,1047 7.927,1048 9.852,1049 0.736,1050 14.723,1051 7.626,1052 11.623,1053 1,1054 14.198,1055 2.275,1056 8.598,1057 10.808,1058 0.188,1059 16.673,1060 8.265,1061 13.022,1062 0.702,1063 15.959,1064 2.136,1065 9.89,1066 12.507,1067 0.57,1068 19.049,1069 9.509,1070 3.034,1071 0.048,1072 17.733,1073 1.626,1074 10.765,1075 13.691,1076 0.125,1077 21.158,1078 10.352,1079 2.919,1080 9.709,1081 19.517,1082 0.134,1083 11.939,1084 15.26,1085 0.439,1086 23.454,1087 11.483,1088 2.711,1089 9.234,1090 21.309,1091 4.338,1092 12.919,1093 16.568,1094 0.082,1095 25.636,1096 12.428,1097 2.471,1098 8.645,1099 23.107,1100 4.033,1101 14.041,1102 18.073,1103 0.334,1104 27.9,1105 13.509,1106 2.275,1107 7.418,1108 24.91,1109 3.553,1110 15.074,1111 19.447,1112 0.054,1113 30.116,1114 14.505,1115 2.008,1116 6.193,1117 26.717,1118 3.097,1119 16.173,1120 20.922,1121 0.252,1122 32.369,1123 15.565,1124 1.725,1125 5.813,1126 28.527,1127 2.957,1128 17.233,1129 22.332,1130 0.035,1131 34.602,1132 16.587,1133 11378,1134 18730,1135 23.75,1136 34.069,1137 50.769,1138 50.873,1139 51.074,1140 50.588,1141 50.576,1142 67.525,1143 4.12,1144 142.413,1145 47.637,1146 5.418,1147 5.188,1148 6.115,1149 5.082,1150 5.034,1151 7.338,1152 1.72,1153 16.18,1154 4.89,1155 7.485,1156 1.493,1157 1.496,1158 1.502,1159 1.488,1160 1.488,1161 1.986,1162 0.121,1163 4.189,1164 1.401,1165 4.077,1166 4.112,1167 4.038,1168 3.996,1169 5.242,1170 4.001,1171 3.955,1172 4,1173 3.922,1174 3.811,1175 5.031,1176 3.834,1177 3.775,1178 3.836,1179 3.708,1180 3.56,1181 4.934,1182 3.587,1183 3.634,1184 3.692,1185 3.548,1186 3.445,1187 4.612,1188 3.462,1189 3.44,1190 3.491,1191 3.361,1192 3.31,1193 4.565,1194 3.318,1195 3.111,1196 3.206,1197 2.955,1198 2.941,1199 4.401,1200 2.91,1201 3.049,1202 3.145,1203 2.905,1204 2.86,1205 4.089,1206 2.861,1207 2.999,1208 3.066,1209 2.866,1210 2.792,1211 3.962,1212 2.823,1213 0.13,1214 0.094,1215 0.186,1216 0.117,1217 0.089,1218 4.418,1219 0.128,1220 3.188,1221 0.025,1222 6.313,1223 0.286,1224 3.979,1225 0.085,1226 3.034,1227 4.338,1228 0.86,1229 9.709,1230 2.89,1231 2.033,1232 2.007,1233 2.111,1234 2.128,1235 1.21,1236 2.123,1237 1.874,1238 1.833,1239 1.959,1240 2.049,1241 1.197,1242 2.025,1243 1.697,1244 1.639,1245 1.875,1246 1.932,1247 0.959,1248 1.916,1249 1.56,1250 1.507,1251 1.683,1252 1.78,1253 0.825,1254 1.756,1255 1.411,1256 1.364,1257 1.55,1258 1.572,1259 0.697,1260 1.573,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.541,1266 1.429,1267 0.984,1268 0.926,1269 1.224,1270 1.287,1271 0.261,1272 1.281,1273 0.957,1274 0.87,1275 1.209,1276 1.178,1277 0.242,1278 1.181,1279 4.234,1281 5.549,1283 7.067,1285 8.673,1287 10.321,1293 5.633,1295 2.767,1296 3.36,1297 5.461,1300 2.106,1305 33.047,1306 79.516,1307 187.034,1308 233.928,1309 252.193,1310 254.193,1311 254.193,1312 34.857,1313 7.942,1314 114.97,1315 114.97,1316 30,1317 12.596,1318 4.585,1319 3.644,1320 41.338,1321 116,1322 118,1323 0.168,1324 201.392,1325 334.21,1326 483.156,1327 31061,1329 20.338,1330 0.678,1331 0.54,1332 20.338,1333 16.193,1334 14.742,1335 0.434,1336 0.284,1337 9.487,1338 14.074,1339 9.345,1340 7.691,1341 14.742,1342 9.66,1343 13.231,1344 0.282,1345 0.147,1346 13.231,1347 6.909,1348 11.236,1349 0.181,1350 0.078,1351 11.236,1352 4.839,1353 9.515,1354 0.116,1355 0.04,1356 9.515,1357 3.309,1358 8.268,1359 0.075,1360 0.021,1361 8.268,1362 2.295,1363 0.261,1364 92.905,1365 0.205,1366 28.169,1367 0.471,1368 162,1369 473.251,1370 180.032,1371 461.407,1372 646.48,1373 436,1374 190,1375 490.58,1376 208.283,1377 496.716,1378 727.39,1379 468,1380 7.398}
{0 CHEMBL1672324,1 1.573,2 11.419,3 3.196,4 10.212,5 120.461,6 7.821,7 0.657,8 4.101,9 4.229,10 3.723,11 3.601,12 5.217,13 3.61,14 4.622,15 4.805,16 4.062,17 3.973,18 5.713,19 3.964,20 4.814,21 5.025,22 4.097,23 4.094,24 5.836,25 4.055,26 4.818,27 5.058,28 3.992,29 4.039,30 5.833,31 3.981,32 4.747,33 4.976,34 3.982,35 3.999,36 5.763,37 3.947,38 4.706,39 4.922,40 4.003,41 3.997,42 5.718,43 3.951,44 4.762,45 4.975,46 4.021,47 4.057,48 5.759,49 4.003,50 4.863,51 5.093,52 4.003,53 4.084,54 5.847,55 4.011,56 0.048,57 0.885,58 10.017,59 4.048,60 7.859,61 5.389,62 0.404,63 1.374,64 19.892,65 6.712,66 27.587,67 8.96,68 0.383,69 1.589,70 25.346,71 8.146,72 31.138,73 11.618,74 0.432,75 1.571,76 26.388,77 7.865,78 41.013,79 11.639,80 0.391,81 1.465,82 24.229,83 7.551,84 35.195,85 11.163,86 0.375,87 1.447,88 22.463,89 7.652,90 27.022,91 10.83,92 0.327,93 1.497,94 23.79,95 8.218,96 27.551,97 11.698,98 0.362,99 1.577,100 27.57,101 9.371,102 39.01,103 13.359,104 3,105 48,106 0.258,107 0.61,108 0.781,109 0.838,110 0.844,111 0.844,112 3.472,113 0.868,114 -3.73,115 -3.7,116 -3.52,119 41.5,124 1,125 4,142 6,143 2,144 1,145 3,146 2,147 1,150 2,172 5,174 4,175 7,178 3,180 2,183 6,186 1,187 3,190 1,192 1,195 4,198 2,199 7,202 2,204 3,207 2,211 3,212 2,217 2,220 1,223 4,224 3,227 3,229 2,232 2,236 2,237 7,240 1,245 3,250 5,253 2,254 1,258 2,262 4,263 7,271 2,275 1724,276 21.695,277 21.695,278 21.695,279 21.695,280 21.695,281 19.097,282 26.266,283 12.977,284 22.397,285 17.291,286 17.291,287 17.291,288 17.291,289 17.291,290 13.306,291 44.862,292 6.169,293 18.402,294 4.155,295 2.009,296 0.963,297 0.618,298 0.58,299 0.58,300 4.188,304 1,305 1,306 787,307 2.55,311 460.43,315 142.212,318 1.594,319 22.441,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 67,331 354,332 4.418,333 3.188,334 6.314,335 3.979,336 3.035,337 4.338,338 0.86,339 9.71,340 2.89,341 4.359,342 2.966,343 6.184,344 3.896,345 2.919,346 4.035,347 0.8,348 9.234,349 2.845,350 4.024,351 2.854,352 6.021,353 3.654,354 2.72,355 3.57,356 0.4,357 8.652,358 2.527,359 3.742,360 2.652,361 5.507,362 3.419,363 2.485,364 3.099,365 0.4,366 7.427,367 2.325,368 3.67,369 2.477,370 5.294,371 3.271,372 2.344,373 2.991,375 6.764,376 2.162,377 3.387,378 2.289,379 5.001,380 2.976,381 2.023,382 2.676,384 5.929,385 1.923,386 3.118,387 2.042,388 4.449,389 2.629,390 1.725,391 2.427,393 4.449,394 1.565,395 2.947,396 1.618,397 4.396,398 2.586,399 1.618,400 2.098,402 4.325,403 1.551,404 2.874,405 1.532,406 4.212,407 2.398,408 1.411,409 2.008,411 3.746,412 1.392,413 2.762,414 1.396,415 3.616,416 2.301,417 1.356,418 1.845,420 2.999,421 1.275,422 2.5,423 1.297,424 3.491,425 1.952,426 1.054,427 1.5,428 2.596,429 0.946,430 2.203,431 1.256,432 3.414,433 1.931,434 1,435 1.176,436 2.275,437 0.919,438 2.184,439 1,440 3.247,441 1.917,442 1,443 1.036,445 2.136,446 0.916,447 2,448 0.738,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.656,457 0.715,458 2.968,459 1.401,460 0.492,461 0.555,463 0.759,464 0.447,465 14.533,466 0.469,467 0.564,468 0.018,469 45.75,470 1.476,471 23.5,472 0.758,473 22.25,474 0.718,475 22.129,476 0.714,477 32.267,478 0.609,479 34.022,480 1.097,481 9.087,482 0.293,483 6.193,484 0.2,485 0.034,487 0.303,493 0.964,494 1.528,495 0.732,496 1.144,497 0.847,498 0.938,499 1.204,500 0.915,501 0.904,502 0.844,503 0.958,504 0.839,505 1.144,506 1.186,507 0.972,508 0.981,509 1.025,510 0.957,511 1.02,512 0.98,513 1.049,514 0.923,515 1.226,516 0.963,517 0.905,518 1.093,519 0.954,520 0.956,521 1.017,522 0.949,523 0.802,524 0.96,525 0.939,526 0.997,527 0.752,528 0.986,529 0.882,530 1.095,531 0.968,532 1.059,533 0.911,534 1.027,535 0.981,536 1.09,537 1.014,538 1.107,539 1.134,540 1.076,541 5.5,542 0.124,543 2.667,544 1.313,545 1.342,546 1.049,547 0.625,548 0.302,549 0.315,550 0.303,551 13535,552 34816,553 2.2,554 41.5,556 17,558 3,559 2,564 1.742,565 2.138,566 3.472,567 0.257,569 1,573 83.365,574 1.573,575 3.719,576 4.765,577 5.11,578 5.148,579 5.148,580 2.897,581 4.389,582 4.923,583 3.624,584 1684.93,585 8.632,586 24030.7,588 1,591 303.58,592 1.058,593 4.918,594 0.157,595 0.004,596 0.056,597 0.027,598 0.031,599 0.024,600 0.014,601 0.007,602 0.007,603 0.008,604 0.335,605 0.33,606 0.88,607 0.479,608 160.243,609 -0.076,610 -0.343,611 0.071,612 -0.136,613 -0.042,614 -0.028,615 0.012,616 0.196,617 0.012,618 0.106,619 0.063,620 0.058,621 -0.102,622 -0.143,623 -0.028,624 -0.015,625 -0.038,626 -0.014,627 -0.091,628 0.066,629 -0.081,630 0.008,631 -0.143,632 -0.025,633 0.02,634 -0.056,635 0.002,637 -0.024,638 0.002,639 0.112,640 0.106,641 -0.007,642 -0.035,643 0.11,644 -0.042,645 0.011,646 -0.056,647 -0.038,648 -0.072,649 -0.014,650 -0.062,651 -0.024,652 -0.107,653 -0.046,654 -0.115,655 -0.104,656 -0.091,657 1.105,658 1.98,659 0.903,660 31.317,661 1.006,662 1.134,663 2.5,664 6.252,665 0.676,666 3.584,667 3.892,668 4.174,669 4.443,670 4.727,671 4.796,672 4.977,673 5.13,674 5.298,675 5.403,676 6.821,677 0.652,678 414.52,679 3.584,680 5.118,681 5.969,682 6.838,683 7.703,684 8.579,685 9.449,686 10.328,687 11.202,688 12.082,689 15.1,694 1,695 1,697 1,699 5,703 2,704 9,705 5,709 6,711 23,724 2,726 1,731 53,733 23,734 1,735 35,737 57,738 22,739 17,740 2,741 4,746 5,747 6,761 17,762 5,778 1,781 22,782 9,783 2,784 9,790 8,794 0.8,795 1,805 1,806 2,812 5,816 1,839 1,840 4,844 1,848 31,854 4,855 2,856 1,859 1,870 1.9,874 1,877 14.5,878 9.867,879 6.833,880 3.113,881 4.164,882 1.52,883 1.024,884 5.57,885 12.178,886 3.861,887 4.472,888 5.083,889 5.691,890 6.305,891 6.587,892 7.037,893 7.477,894 7.915,895 8.203,896 0.875,897 49,898 11.393,900 4.799,901 7.591,902 21.927,904 17.81,905 2.091,906 64.833,909 1,910 235.422,911 125.335,912 123.073,914 11,917 125.335,918 246.422,919 123.073,920 8.396,921 13.396,922 56.857,923 148.252,924 61.693,925 6.126,926 200.109,928 235.422,929 248.408,930 11,933 235.422,935 11,937 67.248,938 79.221,939 101.938,941 235.422,942 134.073,943 125.335,946 235.422,947 32.938,948 95.52,949 36.022,950 94.928,951 235.422,952 134.073,953 125.335,955 0.573,956 0.336,957 0.184,958 0.105,959 24,960 9,961 0.088,962 5,963 1,964 1.071,965 4.322,966 288.455,967 0.071,968 28,969 142.825,974 19.615,975 8.803,976 4.407,977 2.012,978 134.073,979 17.296,980 22.7,984 4.312,986 36.022,987 494.83,988 46.5,999 53.327,1000 60.102,1001 0.275,1002 0.649,1003 0.832,1004 0.892,1005 0.899,1006 0.899,1007 5.08,1008 1.618,1009 5.927,1010 4.449,1011 4.575,1012 5.159,1013 1.406,1014 6.703,1015 4.459,1016 6.27,1017 1.411,1018 7.455,1019 4.325,1020 4.007,1021 4.856,1022 0.325,1023 7.486,1024 3.854,1025 7.564,1026 1.356,1027 9.08,1028 3.746,1029 6.133,1030 7.368,1031 0.977,1032 10.575,1033 5.916,1034 8.893,1035 1.054,1036 10.761,1037 2.999,1038 6.399,1039 7.904,1040 0.268,1041 12.176,1042 6.147,1043 10.253,1044 1,1045 12.48,1046 2.596,1047 7.949,1048 9.86,1049 0.74,1050 14.744,1051 7.642,1052 11.636,1053 1,1054 14.223,1055 2.275,1056 8.618,1057 10.817,1058 0.188,1059 16.693,1060 8.279,1061 13.036,1062 0.702,1063 15.984,1064 2.136,1065 9.911,1066 12.514,1067 0.571,1068 19.065,1069 9.522,1070 3.035,1071 0.492,1072 17.758,1073 1.626,1074 10.785,1075 13.698,1076 0.125,1077 21.172,1078 10.364,1079 2.919,1080 9.71,1081 19.541,1082 0.759,1083 11.959,1084 15.266,1085 0.439,1086 23.464,1087 11.493,1088 2.72,1089 9.234,1090 21.332,1091 4.338,1092 12.937,1093 16.574,1094 0.082,1095 25.645,1096 12.438,1097 2.485,1098 8.652,1099 23.128,1100 4.035,1101 14.058,1102 18.079,1103 0.334,1104 27.907,1105 13.517,1106 2.344,1107 7.427,1108 24.93,1109 3.57,1110 15.09,1111 19.453,1112 0.054,1113 30.122,1114 14.513,1115 2.023,1116 6.764,1117 26.735,1118 3.099,1119 16.188,1120 20.927,1121 0.252,1122 32.374,1123 15.572,1124 1.725,1125 5.929,1126 28.544,1127 2.991,1128 17.247,1129 22.337,1130 0.035,1131 34.607,1132 16.594,1133 12482,1134 20182,1135 24.444,1136 35.83,1137 51.907,1138 52.283,1139 52.522,1140 51.841,1141 51.863,1142 68.827,1143 4.92,1144 145.523,1145 48.798,1146 5.418,1147 5.188,1148 6.116,1149 5.083,1150 5.035,1151 7.338,1152 1.72,1153 16.184,1154 4.89,1155 7.796,1156 1.483,1157 1.494,1158 1.501,1159 1.481,1160 1.482,1161 1.966,1162 0.141,1163 4.158,1164 1.394,1165 4.078,1166 4.113,1167 4.038,1168 3.997,1169 5.083,1170 4.001,1171 3.957,1172 4.003,1173 3.924,1174 3.813,1175 4.989,1176 3.836,1177 3.781,1178 3.843,1179 3.716,1180 3.564,1181 4.883,1182 3.592,1183 3.643,1184 3.702,1185 3.553,1186 3.45,1187 4.599,1188 3.467,1189 3.449,1190 3.504,1191 3.367,1192 3.318,1193 4.406,1194 3.325,1195 3.288,1196 3.383,1197 3.121,1198 3.049,1199 4.181,1200 3.052,1201 3.111,1202 3.206,1203 2.912,1204 2.941,1205 4.079,1206 2.91,1207 3.002,1208 3.07,1209 2.866,1210 2.859,1211 3.962,1212 2.859,1213 0.126,1214 0.091,1215 0.18,1216 0.114,1217 0.087,1218 4.418,1219 0.124,1220 3.188,1221 0.025,1222 6.314,1223 0.277,1224 3.979,1225 0.083,1226 3.035,1227 4.338,1228 0.86,1229 9.71,1230 2.89,1231 2.033,1232 2.007,1233 2.111,1234 2.128,1235 1.21,1236 2.123,1237 1.876,1238 1.835,1239 1.96,1240 2.051,1241 1.197,1242 2.027,1243 1.701,1244 1.642,1245 1.88,1246 1.94,1247 0.964,1248 1.923,1249 1.569,1250 1.514,1251 1.719,1252 1.794,1253 0.825,1254 1.775,1255 1.423,1256 1.373,1257 1.623,1258 1.599,1259 0.725,1260 1.611,1261 1.261,1262 1.165,1263 1.513,1264 1.517,1265 0.666,1266 1.526,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.525,1272 1.429,1273 0.983,1274 0.926,1275 1.209,1276 1.178,1277 0.261,1278 1.182,1279 4.263,1281 5.572,1283 7.089,1285 8.694,1287 10.342,1289 1.788,1295 2.807,1296 6.315,1297 5.48,1300 2.125,1305 34.574,1306 83.365,1307 197.122,1308 252.56,1309 270.825,1310 272.825,1311 272.825,1312 36.02,1313 8.014,1314 100.98,1315 100.98,1316 30,1317 12.619,1318 4.585,1319 3.644,1320 43.368,1321 124,1322 140,1323 0.165,1324 210.984,1325 351.51,1326 506.561,1327 33950,1329 21.045,1330 0.679,1331 0.552,1332 21.045,1333 17.116,1334 15.28,1335 0.437,1336 0.289,1337 9.933,1338 14.573,1339 9.742,1340 8.053,1341 15.28,1342 10.121,1343 13.4,1344 0.279,1345 0.148,1346 13.4,1347 7.125,1348 11.645,1349 0.182,1350 0.079,1351 11.645,1352 5.042,1353 9.826,1354 0.117,1355 0.041,1356 9.826,1357 3.428,1358 8.378,1359 0.075,1360 0.021,1361 8.378,1362 2.349,1363 0.257,1364 96.402,1365 0.202,1366 29.004,1367 0.461,1368 166,1369 482.272,1370 184.393,1371 468.333,1372 658.2,1373 444,1374 195,1375 499.143,1376 214.116,1377 505.337,1378 741.11,1379 476,1380 6.959}
{0 CHEMBL1672325,1 1.556,2 11.531,3 3.549,4 12.596,5 124.696,6 7.653,7 0.639,8 4.148,9 4.276,10 3.754,11 3.642,12 5.247,13 3.646,14 4.68,15 4.873,16 4.099,17 4.017,18 5.74,19 4.006,20 4.861,21 5.063,22 4.144,23 4.155,24 5.887,25 4.11,26 4.93,27 5.189,28 4.037,29 4.106,30 5.915,31 4.04,32 4.797,33 5.02,34 4.011,35 4.059,36 5.809,37 3.998,38 4.778,39 5.007,40 4.025,41 4.044,42 5.751,43 3.988,44 4.787,45 4.997,46 4.061,47 4.094,48 5.784,49 4.04,50 4.91,51 5.139,52 4.047,53 4.139,54 5.891,55 4.065,56 0.028,57 0.925,58 10.975,59 4.356,60 8.404,61 5.954,62 0.432,63 1.44,64 22.067,65 7.04,66 27.617,67 9.708,68 0.331,69 1.68,70 26.484,71 8.714,72 30.954,73 12.57,74 0.504,75 1.703,76 31.119,77 8.681,78 48.692,79 13.337,80 0.366,81 1.54,82 25.509,83 8.114,84 36.804,85 12.081,86 0.385,87 1.516,88 25.268,89 8.449,90 29.225,91 12.251,92 0.299,93 1.544,94 24.66,95 8.499,96 27.243,97 12.251,98 0.363,99 1.661,100 29.151,101 9.684,102 40.694,103 13.982,104 6,105 50,106 0.253,107 0.584,108 0.752,109 0.811,110 0.817,111 0.817,112 3.503,113 0.874,114 -3.95,115 -3.9,116 -3.7,119 41.1,124 2,125 4,142 6,143 2,144 1,145 3,146 2,147 1,150 2,172 5,174 6,175 7,178 1,180 2,183 6,186 1,187 3,190 1,192 1,195 4,198 2,199 8,202 2,204 2,207 2,211 3,212 2,217 2,220 1,223 5,224 4,227 2,229 1,232 2,236 2,237 7,240 1,245 3,249 2,250 5,253 1,258 2,262 4,263 7,271 2,275 1876,276 22.032,277 22.032,278 22.032,279 22.032,280 22.032,281 19.458,282 26.458,283 13.114,284 22.752,285 17.831,286 17.831,287 17.831,288 17.831,289 17.831,290 13.886,291 44.647,292 6.288,293 19.002,294 4.251,295 2.209,296 1.175,297 0.813,298 0.777,299 0.777,300 4.216,304 1,305 1,306 816,307 2.915,311 481.886,315 148.929,318 1.656,319 22.233,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 69,331 369,332 4.418,333 3.19,334 6.316,335 3.982,336 3.038,337 4.338,338 0.86,339 9.714,340 2.891,341 4.363,342 2.993,343 6.184,344 3.897,345 2.92,346 4.038,347 0.8,348 9.234,349 2.847,350 4.077,351 2.965,352 6.04,353 3.702,354 2.786,355 3.61,356 0.8,357 8.695,358 2.552,359 3.786,360 2.783,361 5.88,362 3.517,363 2.59,364 3.115,365 0.4,366 8.059,367 2.385,368 3.731,369 2.573,370 5.5,371 3.38,372 2.432,373 3.057,375 7.396,376 2.3,377 3.406,378 2.302,379 5.012,380 3.001,381 2.046,382 2.69,384 5.963,385 1.952,386 3.118,387 2.058,388 4.466,389 2.632,390 1.726,391 2.427,393 4.485,394 1.566,395 2.973,396 1.669,397 4.4,398 2.586,399 1.618,400 2.123,402 4.332,403 1.555,404 2.876,405 1.618,406 4.267,407 2.456,408 1.531,409 2.042,411 3.937,412 1.417,413 2.83,414 1.433,415 3.718,416 2.385,417 1.394,418 1.894,420 3.001,421 1.376,422 2.5,423 1.385,424 3.616,425 2.016,426 1.121,427 1.5,428 2.732,429 1.001,430 2.364,431 1.256,432 3.49,433 1.952,434 1,435 1.337,436 2.554,437 0.946,438 2.2,439 1.123,440 3.414,441 1.917,442 1,443 1.169,445 2.275,446 0.916,447 2.184,448 1,449 3.247,450 1.905,451 1,452 1.036,454 2.136,455 0.899,456 2,457 0.718,458 3.19,459 1.661,460 0.702,461 1,463 1.626,464 0.671,465 15.033,466 0.47,467 0.691,468 0.022,469 46.5,470 1.453,471 23.5,472 0.734,473 23,474 0.719,475 23.924,476 0.748,477 33.567,478 0.599,479 35.466,480 1.108,481 9.225,482 0.288,483 6.428,484 0.201,485 0.067,487 0.319,493 0.935,494 1.604,495 0.742,496 1.203,497 0.84,498 0.983,499 1.268,500 0.852,501 0.886,502 0.755,503 0.936,504 0.767,505 1.121,506 1.309,507 1.011,508 1.102,509 1.027,510 1.054,511 1.084,512 0.874,513 1.013,514 0.797,515 1.293,516 0.859,517 0.904,518 1.149,519 1.007,520 1.038,521 1.075,522 1.028,523 0.771,524 0.928,525 0.893,526 0.953,527 0.739,528 0.939,529 0.881,530 1.136,531 0.949,532 1.069,533 0.88,534 1.022,535 1.049,536 1.088,537 1.047,538 1.093,539 1.264,540 1.074,541 6,542 0.19,543 3.111,544 1.563,545 1.382,546 1.111,547 0.707,548 0.302,549 0.361,550 0.359,551 14672,552 36601,553 2.174,554 42.9,556 20,558 3,559 1,564 1.75,565 2.087,566 3.492,567 -0.31,569 1,573 87.131,574 1.556,575 3.598,576 4.633,577 4.995,578 5.03,579 5.03,580 2.921,581 4.476,582 4.969,583 3.666,584 1818.37,585 8.723,586 26604.1,588 1,591 325.212,592 1.198,593 4.954,594 0.167,595 0.006,596 0.062,597 0.031,598 0.031,599 0.025,600 0.016,601 0.006,602 0.008,603 0.009,604 0.36,605 0.33,606 0.88,607 0.563,608 167.309,609 -0.041,610 -0.407,611 0.083,612 -0.178,613 -0.031,614 -0.052,615 -0.001,616 0.266,617 0.056,618 0.19,619 0.085,620 0.135,621 -0.084,622 -0.24,623 -0.079,624 -0.125,625 -0.035,626 -0.11,627 -0.105,628 0.156,629 -0.016,630 0.121,631 -0.13,632 0.08,633 0.016,634 -0.093,635 -0.062,636 -0.074,637 -0.067,638 -0.076,639 0.141,640 0.119,641 0.059,642 0.017,643 0.136,644 0.021,645 0.026,646 -0.077,647 -0.022,648 -0.077,649 0.027,650 -0.058,651 -0.058,652 -0.078,653 -0.084,654 -0.11,655 -0.186,656 -0.103,657 1.017,658 1.993,659 0.875,660 33.367,661 1.004,662 1.134,663 2.715,664 7.373,665 0.671,666 3.611,667 3.932,668 4.205,669 4.466,670 4.745,671 4.828,672 5.017,673 5.153,674 5.338,675 5.447,676 7.013,677 0.645,678 428.55,679 3.611,680 5.153,681 6.004,682 6.876,683 7.741,684 8.618,685 9.489,686 10.368,687 11.242,688 12.124,689 14.3,695 2,697 1,699 5,703 2,704 9,705 5,709 6,711 23,724 1,726 2,731 56,733 23,734 1,735 36,737 60,738 23,739 17,740 2,741 4,746 5,747 6,761 17,762 6,778 1,781 24,782 9,783 1,784 9,790 8,794 0.8,795 1,805 1,806 2,812 5,816 1,839 1,840 4,844 2,848 32,854 4,855 1,856 1,859 2,870 1.8,874 1,877 15.333,878 10.817,879 6.944,880 3.25,881 4.187,882 1.518,883 1.012,884 5.802,885 12.269,886 3.882,887 4.494,888 5.101,889 5.706,890 6.317,891 6.61,892 7.068,893 7.494,894 7.942,895 8.234,896 0.875,897 51,898 11.77,900 4.942,901 7.573,902 22.709,904 18.421,905 2.073,906 66.333,909 1,910 270.735,911 133.731,912 108.187,914 11,917 133.731,918 281.735,919 108.187,920 16.793,921 13.396,922 56.857,923 130.241,924 64.818,925 6.126,926 235.422,928 270.735,929 241.918,930 11,933 270.735,935 11,937 67.248,938 90.742,939 83.928,941 270.735,942 119.187,943 133.731,946 270.735,947 32.938,948 107.041,949 18.011,950 94.928,951 270.735,952 119.187,953 133.731,955 0.58,956 0.335,957 0.18,958 0.101,959 25,960 10,961 0.083,962 5,963 1,964 1.071,965 4.375,966 301.157,967 0.071,968 28,969 150,974 20.559,975 9.031,976 4.646,977 2.015,978 119.187,979 17.387,980 22.987,984 4.427,986 18.011,987 523.653,988 47.5,999 56.211,1000 63.517,1001 0.268,1002 0.62,1003 0.798,1004 0.86,1005 0.866,1006 0.866,1007 5.11,1008 1.618,1009 5.974,1010 4.485,1011 4.615,1012 5.182,1013 1.552,1014 6.758,1015 4.496,1016 6.306,1017 1.531,1018 7.512,1019 4.332,1020 4.111,1021 4.902,1022 0.57,1023 7.567,1024 3.943,1025 7.601,1026 1.394,1027 9.146,1028 3.937,1029 6.184,1030 7.386,1031 1.121,1032 10.648,1033 5.958,1034 8.931,1035 1.121,1036 10.837,1037 3.001,1038 6.494,1039 7.934,1040 0.479,1041 12.263,1042 6.22,1043 10.293,1044 1,1045 12.565,1046 2.732,1047 8.016,1048 9.878,1049 0.858,1050 14.825,1051 7.691,1052 11.677,1053 1,1054 14.316,1055 2.554,1056 8.712,1057 10.841,1058 0.346,1059 16.778,1060 8.343,1061 13.078,1062 1,1063 16.083,1064 2.275,1065 9.99,1066 12.531,1067 0.662,1068 19.143,1069 9.573,1070 3.038,1071 0.702,1072 17.862,1073 2.136,1074 10.879,1075 13.718,1076 0.237,1077 21.247,1078 10.42,1079 2.92,1080 9.714,1081 19.65,1082 1.626,1083 12.044,1084 15.283,1085 0.506,1086 23.534,1087 11.542,1088 2.786,1089 9.234,1090 21.443,1091 4.338,1092 13.029,1093 16.59,1094 0.158,1095 25.709,1096 12.487,1097 2.59,1098 8.695,1099 23.242,1100 4.038,1101 14.145,1102 18.093,1103 0.382,1104 27.966,1105 13.562,1106 2.432,1107 8.059,1108 25.045,1109 3.61,1110 15.179,1111 19.466,1112 0.104,1113 30.176,1114 14.556,1115 2.046,1116 7.396,1117 26.85,1118 3.115,1119 16.274,1120 20.939,1121 0.285,1122 32.423,1123 15.611,1124 1.726,1125 5.963,1126 28.659,1127 3.057,1128 17.333,1129 22.348,1130 0.068,1131 34.651,1132 16.63,1133 13594,1134 21642,1135 24.849,1136 37.591,1137 54.163,1138 54.129,1139 54.529,1140 53.915,1141 53.906,1142 70.874,1143 5.72,1144 152.541,1145 50.636,1146 5.418,1147 5.19,1148 6.118,1149 5.086,1150 5.038,1151 7.338,1152 1.72,1153 16.196,1154 4.891,1155 11.088,1156 1.505,1157 1.504,1158 1.515,1159 1.498,1160 1.497,1161 1.969,1162 0.159,1163 4.237,1164 1.407,1165 4.078,1166 4.114,1167 4.039,1168 3.997,1169 5.079,1170 4.002,1171 3.96,1172 4.006,1173 3.927,1174 3.815,1175 4.985,1176 3.838,1177 3.79,1178 3.854,1179 3.727,1180 3.57,1181 4.876,1182 3.599,1183 3.655,1184 3.714,1185 3.559,1186 3.458,1187 4.599,1188 3.474,1189 3.471,1190 3.536,1191 3.378,1192 3.333,1193 4.406,1194 3.338,1195 3.374,1196 3.446,1197 3.237,1198 3.17,1199 4.199,1200 3.175,1201 3.111,1202 3.206,1203 2.912,1204 2.941,1205 4.084,1206 2.91,1207 3.003,1208 3.07,1209 2.866,1210 2.859,1211 3.962,1212 2.859,1213 0.123,1214 0.089,1215 0.175,1216 0.111,1217 0.084,1218 4.418,1219 0.12,1220 3.19,1221 0.024,1222 6.316,1223 0.27,1224 3.982,1225 0.08,1226 3.038,1227 4.338,1228 0.86,1229 9.714,1230 2.891,1231 2.033,1232 2.007,1233 2.111,1234 2.128,1235 1.21,1236 2.123,1237 1.878,1238 1.837,1239 1.962,1240 2.053,1241 1.197,1242 2.029,1243 1.707,1244 1.647,1245 1.889,1246 1.95,1247 0.975,1248 1.932,1249 1.584,1250 1.526,1251 1.771,1252 1.812,1253 0.839,1254 1.801,1255 1.449,1256 1.393,1257 1.645,1258 1.643,1259 0.825,1260 1.653,1261 1.341,1262 1.266,1263 1.519,1264 1.543,1265 0.688,1266 1.544,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.528,1272 1.429,1273 0.983,1274 0.926,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.29,1281 5.609,1283 7.13,1285 8.736,1287 10.385,1289 3.825,1295 2.81,1296 3.395,1297 5.493,1300 3.995,1305 36.1,1306 87.131,1307 201.505,1308 259.437,1309 279.702,1310 281.702,1311 281.702,1312 38.564,1313 8.082,1314 92.19,1315 92.19,1316 30,1317 12.66,1318 4.585,1319 3.644,1320 45.445,1321 132,1322 134,1323 0.163,1324 220.577,1325 368.81,1326 529.967,1327 36841,1329 21.916,1330 0.685,1331 0.564,1332 21.916,1333 18.063,1334 15.653,1335 0.435,1336 0.291,1337 10.289,1338 14.918,1339 10.024,1340 8.319,1341 15.653,1342 10.489,1343 14.13,1344 0.283,1345 0.155,1346 14.13,1347 7.746,1348 11.935,1349 0.181,1350 0.079,1351 11.935,1352 5.205,1353 10.041,1354 0.117,1355 0.041,1356 10.041,1357 3.523,1358 8.472,1359 0.074,1360 0.021,1361 8.472,1362 2.393,1363 0.254,1364 98.824,1365 0.201,1366 29.795,1367 0.453,1368 172,1369 493.584,1370 190.753,1371 479.797,1372 672.94,1373 454,1374 202,1375 509.848,1376 222.282,1377 519.027,1378 759.25,1379 486,1380 6.607}
{0 CHEMBL1672326,1 1.633,2 13.273,3 3.403,4 11.578,5 125.443,6 8.046,7 0.649,8 4.144,9 4.264,10 3.782,11 3.631,12 5.31,13 3.653,14 4.642,15 4.806,16 4.119,17 3.983,18 5.811,19 3.987,20 4.846,21 5.048,22 4.117,23 4.077,24 5.906,25 4.054,26 4.817,27 5.044,28 4.019,29 4.022,30 5.857,31 3.978,32 4.764,33 4.986,34 4.072,35 4.036,36 5.829,37 4.004,38 4.752,39 4.942,40 4.09,41 4.085,42 5.839,43 4.045,44 4.858,45 5.08,46 4.046,47 4.103,48 5.862,49 4.037,50 4.881,51 5.118,52 3.979,53 4.04,54 5.881,55 3.969,56 0.093,57 0.901,58 9.895,59 4.19,60 10.533,61 5.256,62 0.455,63 1.371,64 19.137,65 6.974,66 33.355,67 8.787,68 0.531,69 1.566,70 26.039,71 8.247,72 39.071,73 11.024,74 0.511,75 1.525,76 26.093,77 8.168,78 44.264,79 11.387,80 0.512,81 1.499,82 24.244,83 7.569,84 38.849,85 10.895,86 0.413,87 1.546,88 21.522,89 7.989,90 30.588,91 10.663,92 0.45,93 1.585,94 26.401,95 9.308,96 36.203,97 13.126,98 0.462,99 1.548,100 28.579,101 9.524,102 44.335,103 13.432,104 2,105 50,106 0.266,107 0.605,108 0.758,109 0.826,110 0.834,111 0.834,112 3.532,113 0.85,114 -3.96,115 -3.91,116 -3.71,119 41.8,125 4,142 8,143 1,144 2,145 3,146 1,147 2,150 2,163 1,164 1,165 1,172 5,174 5,175 9,177 2,178 3,180 2,183 5,186 1,187 4,190 1,192 1,195 2,198 2,199 9,202 2,204 2,207 3,209 1,211 3,212 4,215 1,220 5,223 4,224 3,226 1,227 3,229 1,232 4,234 1,236 3,237 6,240 1,242 2,245 2,250 2,252 2,253 2,254 1,255 2,257 1,262 6,263 6,268 1,271 2,275 2167,276 22.894,277 22.894,278 22.894,279 22.894,280 22.894,281 20.035,282 29.574,283 13.883,284 23.677,285 18.358,286 18.358,287 18.358,288 18.358,289 18.358,290 14.144,291 45.501,292 6.739,293 19.659,294 4.148,295 2.058,296 1.118,297 0.705,298 0.655,299 0.655,300 4.246,304 1,305 1,306 970,307 2.55,311 574.296,318 1.961,319 27.473,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 72,331 438,332 4.372,333 3.188,334 6.313,335 3.972,336 3.03,337 4.038,338 0.86,339 9.706,340 2.869,341 4.096,342 3.071,343 6.02,344 3.67,345 2.735,346 3.685,347 0.86,348 8.645,349 2.562,350 4.003,351 2.864,352 5.644,353 3.641,354 2.71,355 3.543,356 0.8,357 7.863,358 2.508,359 3.866,360 2.729,361 5.495,362 3.473,363 2.532,364 3.406,365 0.4,366 7.439,367 2.383,368 3.663,369 2.458,370 5.146,371 3.265,372 2.333,373 2.957,375 6.396,376 2.17,377 3.546,378 2.318,379 5.023,380 3.119,381 2.189,382 2.866,384 6.037,385 2.023,386 3.306,387 2.267,388 4.878,389 2.892,390 1.952,391 2.573,393 5.619,394 1.827,395 2.927,396 2.028,397 4.423,398 2.62,399 1.717,400 2.035,402 4.389,403 1.543,404 2.858,405 1.535,406 4.185,407 2.391,408 1.416,409 1.995,411 3.675,412 1.375,413 2.742,414 1.479,415 3.591,416 2.268,417 1.329,418 1.826,420 3.037,421 1.244,422 2.5,423 1.256,424 3.491,425 2,426 1.048,427 1.5,428 2.594,429 1,430 2.5,431 1.255,432 3.414,433 1.959,434 1,435 1.5,436 2.275,437 0.956,438 2.5,439 1,440 3.414,441 1.952,442 1,443 1.5,445 2.275,446 0.946,447 2.199,448 1,449 3.247,450 1.928,451 1,452 1.175,454 2.136,455 0.916,456 2,457 1,458 3.247,459 1.917,460 1,461 1,463 2.136,464 0.916,465 15.367,466 0.466,467 0.619,468 0.019,469 49.5,470 1.5,471 26,472 0.788,473 23.5,474 0.712,475 22.844,476 0.692,477 34.433,478 0.626,479 37.516,480 1.137,481 9.887,482 0.3,483 6.338,484 0.192,485 0.026,487 0.286,493 0.985,494 1.464,495 0.721,496 1.121,497 1,498 0.908,499 1.091,500 0.987,501 0.892,502 0.971,503 0.766,504 0.918,505 1.332,506 1.128,507 1.048,508 0.974,509 1.063,510 0.964,511 1.068,512 1.006,513 1.019,514 0.943,515 1.108,516 0.962,517 0.813,518 0.994,519 0.86,520 0.807,521 0.822,522 0.82,523 0.798,524 1.032,525 1.047,526 1.109,527 0.79,528 1.116,529 0.716,530 1.086,531 0.983,532 1.117,533 0.807,534 1.097,535 0.929,536 1.101,537 1.001,538 1.118,539 0.923,540 1.083,541 6,542 0.165,543 2.444,544 1.313,545 1.32,546 0.917,547 0.766,548 0.387,549 0.242,550 0.239,551 17123,552 47039,553 2.187,554 40,556 16,558 3,559 3,564 1.754,565 2.129,566 3.655,567 0.892,569 1,573 89.825,574 1.633,575 3.724,576 4.663,577 5.077,578 5.127,579 5.127,580 3.086,581 4.393,582 5.011,583 3.85,584 2032.85,585 8.788,586 31127.7,588 1,591 317.975,592 1.027,593 5.01,594 0.162,595 0.006,596 0.049,597 0.027,598 0.03,599 0.019,600 0.016,601 0.009,602 0.006,603 0.007,604 0.33,605 0.33,606 0.75,607 0.306,608 176.425,609 -0.108,610 -0.289,611 0.058,612 -0.119,613 -0.139,614 -0.015,615 0.062,616 0.116,617 -0.001,618 -0.011,619 0.165,620 -0.027,621 -0.185,622 -0.106,623 -0.086,624 -0.017,625 -0.105,626 -0.031,627 -0.096,628 0.01,629 -0.043,630 0.008,631 -0.119,632 -0.007,633 0.044,634 0.055,635 0.089,636 0.146,637 0.043,638 0.134,639 0.014,640 0.072,641 -0.169,642 -0.142,643 -0.017,644 -0.187,645 0.073,646 -0.083,647 -0.037,648 -0.122,649 0.01,650 -0.102,651 -0.015,652 -0.15,653 -0.002,654 -0.129,655 0.007,656 -0.077,657 1.455,658 2.261,659 0.909,660 39.556,661 1.012,662 1.133,663 2.725,664 7.427,665 0.678,666 3.638,667 3.932,668 4.174,669 4.431,670 4.71,671 4.736,672 4.92,673 5.081,674 5.209,675 5.323,676 7.764,677 0.66,678 442.53,679 3.638,680 5.165,681 5.999,682 6.858,683 7.707,684 8.571,685 9.427,686 10.295,687 11.156,688 12.026,689 14.5,693 1,695 1,697 1,699 5,704 11,705 5,709 8,711 24,722 1,724 1,726 1,729 1,731 55,733 24,734 1,735 37,737 59,738 23,739 19,740 1,741 5,746 5,747 5,761 19,762 4,778 1,781 22,782 10,783 3,784 10,790 8,794 1,795 2,805 1,806 2,812 5,839 1,840 5,848 33,849 1,854 4,855 1,856 2,859 1,870 3.6,874 1,875 1,877 15.5,878 9.783,879 7.222,880 3.126,881 3.956,882 1.493,883 1.015,884 6.354,885 11.978,886 3.912,887 4.489,888 5.03,889 5.596,890 6.18,891 6.351,892 6.793,893 7.241,894 7.628,895 8.006,896 0.889,897 49,898 12.103,900 5.085,901 7.677,902 23.036,904 18.489,905 2.177,906 71.833,909 1,910 223.651,911 141.232,912 137.96,914 22,917 141.232,918 245.651,919 137.96,921 13.396,922 108.707,923 130.241,924 73.22,925 10.941,926 188.338,928 223.651,929 279.192,930 22,933 223.651,934 11,935 11,937 65.104,938 130.16,939 83.928,941 223.651,942 159.96,943 141.232,946 223.651,947 38.279,948 106.077,949 18.011,950 138.825,951 223.651,952 159.96,953 141.232,955 0.572,956 0.323,957 0.175,958 0.103,959 24,960 9,961 0.102,962 6,964 1,965 4.574,966 304.746,968 30,969 154.465,974 21.222,975 9.88,976 5.41,978 159.96,979 20.033,980 21.983,984 4.865,986 50.908,987 524.842,988 49,999 55.654,1000 62.312,1001 0.282,1002 0.644,1003 0.807,1004 0.878,1005 0.887,1006 0.887,1007 5.124,1008 1.717,1009 5.948,1010 5.619,1011 4.615,1012 5.176,1013 1.656,1014 6.691,1015 4.483,1016 6.301,1017 1.416,1018 7.454,1019 4.389,1020 4.007,1021 4.745,1022 0.325,1023 7.391,1024 3.804,1025 7.576,1026 1.329,1027 9.054,1028 3.675,1029 6.142,1030 7.298,1031 1.308,1032 10.473,1033 5.882,1034 8.883,1035 1.048,1036 10.71,1037 3.037,1038 6.347,1039 7.653,1040 0.268,1041 12.002,1042 6.016,1043 10.218,1044 1,1045 12.402,1046 2.594,1047 7.914,1048 9.664,1049 1.064,1050 14.563,1051 7.532,1052 11.574,1053 1,1054 14.119,1055 2.275,1056 8.523,1057 10.416,1058 0.188,1059 16.462,1060 8.072,1061 12.945,1062 1,1063 15.856,1064 2.275,1065 9.825,1066 12.158,1067 0.862,1068 18.823,1069 9.327,1070 3.03,1071 1,1072 17.606,1073 2.136,1074 10.65,1075 13.142,1076 0.125,1077 20.901,1078 10.087,1079 2.735,1080 9.706,1081 19.367,1082 2.136,1083 11.825,1084 14.73,1085 0.69,1086 23.186,1087 11.213,1088 2.71,1089 8.645,1090 21.138,1091 4.038,1092 12.767,1093 15.859,1094 0.082,1095 25.351,1096 12.094,1097 2.532,1098 7.863,1099 22.916,1100 3.685,1101 13.884,1102 17.356,1103 0.544,1104 27.609,1105 13.161,1106 2.333,1107 7.439,1108 24.7,1109 3.543,1110 14.89,1111 18.577,1112 0.054,1113 29.818,1114 14.11,1115 2.189,1116 6.396,1117 26.49,1118 3.406,1119 15.981,1120 20.021,1121 0.424,1122 32.07,1123 15.151,1124 1.952,1125 6.037,1126 28.285,1127 2.957,1128 17.023,1129 21.301,1130 0.035,1131 34.302,1132 16.137,1133 15784,1134 26351,1135 25.83,1136 37.284,1137 54.889,1138 54.971,1139 54.722,1140 54.604,1141 54.56,1142 71.901,1143 5.84,1144 149.925,1145 51,1146 5.372,1147 5.188,1148 6.114,1149 5.075,1150 5.03,1151 7.038,1152 1.72,1153 16.177,1154 4.869,1155 8.048,1156 1.483,1157 1.486,1158 1.479,1159 1.476,1160 1.475,1161 1.943,1162 0.158,1163 4.052,1164 1.378,1165 4.007,1166 4.053,1167 3.971,1168 3.864,1169 5.242,1170 3.882,1171 3.905,1172 3.935,1173 3.856,1174 3.799,1175 5.038,1176 3.808,1177 3.807,1178 3.851,1179 3.748,1180 3.698,1181 4.945,1182 3.708,1183 3.771,1184 3.828,1185 3.694,1186 3.556,1187 4.735,1188 3.581,1189 3.596,1190 3.653,1191 3.518,1192 3.393,1193 4.612,1194 3.418,1195 3.111,1196 3.206,1197 3.043,1198 2.941,1199 4.559,1200 2.91,1201 3.107,1202 3.178,1203 2.927,1204 2.877,1205 4.239,1206 2.91,1207 3.022,1208 3.094,1209 2.866,1210 2.77,1211 3.979,1212 2.801,1213 0.118,1214 0.086,1215 0.171,1216 0.107,1217 0.082,1218 4.372,1219 0.109,1220 3.188,1221 0.023,1222 6.313,1223 0.262,1224 3.972,1225 0.078,1226 3.03,1227 4.038,1228 0.86,1229 9.706,1230 2.869,1231 1.902,1232 1.87,1233 2.005,1234 2.074,1235 1.2,1236 2.047,1237 1.872,1238 1.839,1239 1.969,1240 2,1241 1.045,1242 1.994,1243 1.776,1244 1.739,1245 1.897,1246 1.932,1247 0.984,1248 1.918,1249 1.696,1250 1.638,1251 1.862,1252 1.909,1253 0.907,1254 1.906,1255 1.51,1256 1.455,1257 1.619,1258 1.737,1259 0.825,1260 1.709,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.577,1266 1.429,1267 1.004,1268 0.953,1269 1.233,1270 1.307,1271 0.265,1272 1.294,1273 0.927,1274 0.854,1275 1.181,1276 1.229,1277 0.218,1278 1.2,1279 4.317,1281 5.617,1283 7.112,1285 8.689,1287 10.307,1293 5.638,1295 2.699,1296 3.303,1297 11.224,1300 2.089,1305 36.288,1306 89.825,1307 204.802,1308 256.465,1309 279.22,1310 281.975,1311 281.975,1312 40.51,1313 8.022,1314 124.2,1315 124.2,1316 30,1317 12.571,1318 4.644,1319 3.7,1320 47.784,1321 149,1322 172,1323 0.149,1324 221.645,1325 374.96,1326 532.575,1327 35845,1329 22.46,1330 0.681,1331 0.538,1332 22.46,1333 17.756,1334 16.225,1335 0.439,1336 0.283,1337 10.284,1338 15.435,1339 10.142,1340 8.365,1341 16.225,1342 10.485,1343 14.374,1344 0.287,1345 0.146,1346 14.374,1347 7.293,1348 11.946,1349 0.187,1350 0.077,1351 11.946,1352 4.95,1353 9.927,1354 0.12,1355 0.04,1356 9.927,1357 3.293,1358 8.573,1359 0.078,1360 0.02,1361 8.573,1362 2.247,1363 0.237,1364 102.62,1365 0.197,1366 30.995,1367 0.401,1368 174,1369 538.987,1370 196.35,1371 518.774,1372 722.78,1373 490,1374 201,1375 547.853,1376 223.103,1377 549.816,1378 802.48,1379 518,1380 6.959}
{0 CHEMBL1672327,1 1.605,2 14,3 1.937,4 3.752,5 131.117,6 7.359,7 0.474,8 4.264,9 4.4,10 3.828,11 3.696,12 5.329,13 3.706,14 4.828,15 5.025,16 4.175,17 4.083,18 5.867,19 4.07,20 5.059,21 5.283,22 4.182,23 4.231,24 6.003,25 4.175,26 5.089,27 5.351,28 4.073,29 4.197,30 5.993,31 4.104,32 4.983,33 5.243,34 4.115,35 4.152,36 5.926,37 4.085,38 4.905,39 5.116,40 4.13,41 4.161,42 5.921,43 4.106,44 4.972,45 5.206,46 4.101,47 4.177,48 5.924,49 4.101,50 4.997,51 5.245,52 4.036,53 4.124,54 5.957,55 4.045,56 0.068,57 1.016,58 13.64,59 4.752,60 11.145,61 7.04,62 0.547,63 1.543,64 27.209,65 8.039,66 39.092,67 11.867,68 0.59,69 1.788,70 35.551,71 10.092,72 44.74,73 15.573,74 0.655,75 1.749,76 38.012,77 10.845,78 53.273,79 17.124,80 0.555,81 1.666,82 33.62,83 9.452,84 47.355,85 15.46,86 0.516,87 1.663,88 29.277,89 9.311,90 41.033,91 13.809,92 0.44,93 1.684,94 31.958,95 10.013,96 38.092,97 15.625,98 0.486,99 1.631,100 33.822,101 9.7,102 48.25,103 15.314,104 5,105 52,106 0.257,107 0.596,108 0.783,109 0.823,110 0.823,111 0.823,112 3.56,113 0.908,114 -3.45,115 -3.43,116 -3.28,119 36.5,121 2,124 1,125 6,127 1,142 3,143 1,144 1,145 3,146 1,147 2,150 2,163 1,164 1,165 1,172 1,174 5,175 11,177 2,178 3,180 2,183 2,186 1,187 2,190 1,192 1,198 3,199 8,202 2,204 2,207 3,209 1,211 3,212 2,215 1,220 3,223 5,224 3,226 1,227 3,229 1,232 1,234 1,236 3,237 7,240 1,242 2,245 1,250 2,252 2,253 2,254 1,257 1,262 6,263 6,266 1,271 2,275 2352,276 23.342,277 23.342,278 23.342,279 23.342,280 23.342,281 21.233,282 36.09,283 13.969,284 24.24,285 18.825,286 18.825,287 18.825,288 18.825,289 18.825,290 15.638,291 56.197,292 6.774,293 20.296,294 4.372,295 2.251,296 1.084,297 0.837,298 0.837,299 0.837,300 4.272,305 1,306 1050,307 2.646,311 597.866,318 2.059,319 29.511,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 74.5,331 476,332 4.372,333 3.188,334 6.313,335 3.972,336 3.03,337 4.038,338 0.86,339 9.706,340 2.869,341 4.073,342 3.091,343 6.02,344 3.68,345 2.749,346 3.658,347 0.86,348 8.645,349 2.566,350 3.993,351 2.867,352 5.652,353 3.644,354 2.71,355 3.531,356 0.8,357 7.883,358 2.513,359 3.709,360 2.765,361 5.509,362 3.523,363 2.58,364 2.957,365 0.8,366 7.472,367 2.429,368 3.635,369 2.657,370 5.199,371 3.298,372 2.377,373 2.916,374 0.4,375 6.544,376 2.187,377 3.507,378 2.431,379 5.054,380 3.168,381 2.256,382 2.652,384 6.136,385 2.051,386 3.317,387 2.275,388 4.951,389 2.989,390 2.061,391 2.488,393 5.824,394 1.904,395 2.991,396 2.218,397 4.77,398 2.795,399 1.864,400 2.029,402 5.332,403 1.731,404 2.914,405 1.988,406 4.423,407 2.612,408 1.706,409 1.984,411 4.387,412 1.537,413 2.742,414 1.498,415 4.185,416 2.269,417 1.332,418 1.826,420 3.675,421 1.245,422 2.5,423 1.256,424 3.491,425 1.984,426 1.048,427 1.5,428 2.594,429 0.983,430 2.5,431 1.255,432 3.414,433 1.959,434 1,435 1.5,436 2.275,437 0.956,438 2.199,439 1.077,440 3.414,441 1.952,442 1,443 1.175,445 2.275,446 0.946,447 2,448 1,449 3.414,450 1.928,451 1,452 1,454 2.275,455 0.916,456 2,457 1,458 3.247,459 1.917,460 1,461 1,463 2.136,464 0.916,465 15.767,466 0.464,467 0.725,468 0.021,469 44.75,470 1.316,471 20,472 0.588,473 24.75,474 0.728,475 28.866,476 0.849,477 37.633,478 0.597,479 34.496,480 1.015,481 8.649,482 0.254,483 7.971,484 0.234,485 0.057,487 0.304,493 0.981,494 1.698,495 0.793,496 1.297,497 0.956,498 1.046,499 1.191,500 0.994,501 0.933,502 0.934,503 0.754,504 0.9,505 1.307,506 1.152,507 1.076,508 1.043,509 1.022,510 1.031,511 0.952,512 0.96,513 0.969,514 0.95,515 1.014,516 0.963,517 0.703,518 0.987,519 0.782,520 0.836,521 0.757,522 0.811,523 0.951,524 1.021,525 1.05,526 1.084,527 0.915,528 1.087,529 0.716,530 1.182,531 0.943,532 1.152,533 0.774,534 1.091,535 1,536 1.116,537 1.009,538 1.09,539 0.996,540 1.054,541 7,542 0.173,543 2.889,544 1.375,545 1.511,546 0.972,547 0.847,548 0.45,549 0.254,550 0.274,551 18632,552 45687,553 2.163,554 46,556 19,558 3,559 3,562 4,564 1.76,565 2.082,566 3.716,567 0.899,573 101.116,574 1.605,575 3.726,576 4.894,577 5.14,578 5.14,579 5.14,580 3.182,581 4.558,582 5.054,583 3.914,584 2195.9,585 8.869,586 34554.6,591 376.569,592 1.166,593 5.043,594 0.184,595 0.006,596 0.056,597 0.027,598 0.034,599 0.02,600 0.017,601 0.01,602 0.006,603 0.008,604 0.366,605 0.33,606 0.63,607 0.39,608 183.995,609 -0.079,610 -0.401,611 0.076,612 -0.173,613 -0.053,614 -0.039,615 0.013,616 0.144,617 0.031,618 0.065,619 0.203,620 0.048,621 -0.171,622 -0.111,623 -0.1,624 -0.042,625 -0.066,626 -0.059,627 -0.009,628 0.01,629 0.016,630 0.032,631 -0.045,632 0.025,633 0.107,634 0.024,635 0.186,636 0.151,637 0.114,638 0.183,639 -0.003,640 0.11,641 -0.114,642 -0.061,643 -0.025,644 -0.108,645 0.076,646 -0.124,647 -0.005,648 -0.118,649 0.047,650 -0.081,651 -0.058,652 -0.107,653 -0.036,654 -0.1,655 -0.031,656 -0.069,657 1.446,658 2.56,659 0.882,660 42.09,661 1.006,662 1.144,663 2.219,664 4.925,665 0.644,666 3.664,667 3.97,668 4.205,669 4.454,670 4.745,671 4.771,672 4.949,673 5.106,674 5.231,675 5.361,676 8.066,677 0.617,678 463.61,679 3.664,680 5.198,681 6.033,682 6.895,683 7.745,684 8.61,685 9.467,686 10.335,687 11.197,688 12.067,689 14.3,692 1,693 1,695 1,697 1,699 5,704 6,705 5,709 7,711 18,722 1,724 1,726 1,729 1,731 63,733 18,735 38,737 67,738 23,739 13,746 5,747 5,755 3,758 3,761 13,762 10,781 29,782 11,783 3,784 11,790 9,794 1,795 2,805 1,806 2,812 5,836 1,839 1,840 5,844 1,848 34,849 1,854 8,855 1,856 2,858 1,859 2,870 3.2,874 1,875 1,877 16.333,878 11.4,879 7.389,880 3.762,881 3.061,882 1.377,883 0.992,884 7.115,885 11.169,886 3.871,887 4.413,888 4.922,889 5.466,890 6.046,891 6.261,892 6.691,893 7.116,894 7.496,895 7.871,896 1,897 51,898 12.543,900 5.277,901 7.603,902 24.272,904 19.844,905 2.103,906 71.5,910 306.049,911 106.284,912 141.084,914 22,917 106.284,918 328.048,919 141.084,920 8.396,921 22.677,922 61.326,923 130.241,924 71.101,925 10.941,926 270.735,928 306.049,929 247.368,930 22,933 258.964,934 58.084,935 11,937 77.509,938 85.931,939 83.928,941 306.049,942 163.084,943 106.284,946 306.049,947 42.316,948 70.216,949 18.011,950 138.825,951 306.049,952 163.084,953 106.284,955 0.578,956 0.324,957 0.171,958 0.103,959 25,960 10,961 0.09,962 6,964 1,965 4.635,966 316.714,968 30,969 160.974,974 22.874,975 10.575,976 5.978,978 163.084,979 10.774,980 22.165,984 4.393,986 50.908,987 575.416,988 47,999 63.407,1000 72.056,1001 0.269,1002 0.623,1003 0.819,1004 0.86,1005 0.86,1006 0.86,1007 5.109,1008 1.864,1009 5.994,1010 5.824,1011 4.654,1012 5.1,1013 1.824,1014 6.742,1015 4.511,1016 6.271,1017 1.706,1018 7.507,1019 5.332,1020 4.111,1021 4.732,1022 0.57,1023 7.455,1024 3.897,1025 7.543,1026 1.332,1027 9.111,1028 4.387,1029 6.192,1030 7.173,1031 1.426,1032 10.518,1033 5.915,1034 8.843,1035 1.048,1036 10.767,1037 3.675,1038 6.431,1039 7.588,1040 0.479,1041 12.038,1042 6.089,1043 10.174,1044 1,1045 12.458,1046 2.594,1047 7.967,1048 9.522,1049 1.153,1050 14.593,1051 7.565,1052 11.524,1053 1,1054 14.172,1055 2.275,1056 8.59,1057 10.328,1058 0.346,1059 16.482,1060 8.128,1061 12.891,1062 1,1063 15.904,1064 2.275,1065 9.876,1066 12.019,1067 0.931,1068 18.842,1069 9.357,1070 3.03,1071 1,1072 17.649,1073 2.275,1074 10.706,1075 13.049,1076 0.237,1077 20.914,1078 10.131,1079 2.749,1080 9.706,1081 19.406,1082 2.136,1083 11.872,1084 14.605,1085 0.742,1086 23.197,1087 11.242,1088 2.71,1089 8.645,1090 21.172,1091 4.038,1092 12.815,1093 15.77,1094 0.158,1095 25.359,1096 12.13,1097 2.58,1098 7.883,1099 22.946,1100 3.658,1101 13.925,1102 17.249,1103 0.583,1104 27.616,1105 13.187,1106 2.377,1107 7.472,1108 24.727,1109 3.531,1110 14.931,1111 18.497,1112 0.104,1113 29.824,1114 14.139,1115 2.256,1116 6.544,1117 26.513,1118 2.957,1119 16.019,1120 19.931,1121 0.452,1122 32.074,1123 15.175,1124 2.061,1125 6.136,1126 28.305,1127 2.916,1128 17.058,1129 21.231,1130 0.068,1131 34.306,1132 16.162,1133 17258,1134 27273,1135 26.235,1136 40.574,1137 56.426,1138 56.654,1139 56.849,1140 56.19,1141 56.153,1142 69.328,1143 7.44,1144 156.134,1145 52.151,1146 5.372,1147 5.188,1148 6.114,1149 5.075,1150 5.03,1151 7.038,1152 1.72,1153 16.177,1154 4.812,1155 11.81,1156 1.485,1157 1.491,1158 1.496,1159 1.479,1160 1.478,1161 1.824,1162 0.196,1163 4.109,1164 1.372,1165 4.006,1166 4.056,1167 3.969,1168 3.851,1169 5.242,1170 3.874,1171 3.889,1172 3.937,1173 3.828,1174 3.737,1175 5.018,1176 3.753,1177 3.798,1178 3.858,1179 3.711,1180 3.649,1181 4.919,1182 3.65,1183 3.771,1184 3.83,1185 3.679,1186 3.556,1187 4.612,1188 3.581,1189 3.597,1190 3.654,1191 3.517,1192 3.392,1193 4.565,1194 3.417,1195 3.272,1196 3.354,1197 3.129,1198 3.024,1199 4.443,1200 3.031,1201 3.111,1202 3.206,1203 2.964,1204 2.941,1205 4.208,1206 2.91,1207 3.111,1208 3.206,1209 2.899,1210 2.941,1211 3.994,1212 2.91,1213 0.115,1214 0.084,1215 0.166,1216 0.105,1217 0.08,1218 4.372,1219 0.106,1220 3.188,1221 0.023,1222 6.313,1223 0.255,1224 3.972,1225 0.076,1226 3.03,1227 4.038,1228 0.86,1229 9.706,1230 2.869,1231 1.896,1232 1.856,1233 2.035,1234 2.075,1235 1.382,1236 2.052,1237 1.836,1238 1.791,1239 1.971,1240 2.028,1241 1.2,1242 2.026,1243 1.764,1244 1.711,1245 1.899,1246 1.932,1247 0.988,1248 1.926,1249 1.696,1250 1.638,1251 1.863,1252 1.931,1253 0.91,1254 1.913,1255 1.51,1256 1.455,1257 1.621,1258 1.74,1259 0.825,1260 1.712,1261 1.238,1262 1.148,1263 1.582,1264 1.513,1265 0.825,1266 1.538,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.72,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.577,1278 1.429,1279 4.344,1281 5.652,1283 7.152,1285 8.732,1287 10.351,1289 2.137,1293 5.652,1295 6.864,1296 3.342,1297 11.537,1299 0.213,1300 4.422,1305 38.89,1306 101.116,1307 234.746,1308 308.304,1309 323.814,1310 323.814,1311 323.814,1312 46.933,1313 8.109,1314 127.44,1315 127.44,1316 30,1317 12.612,1318 4.248,1319 3.322,1320 50.01,1321 160,1322 194,1323 0.145,1324 237.222,1325 404.78,1326 570.581,1327 40156,1329 23.33,1330 0.686,1331 0.565,1332 23.33,1333 19.223,1334 16.619,1335 0.437,1336 0.303,1337 11.263,1338 15.715,1339 11.067,1340 9.102,1341 16.619,1342 11.502,1343 14.995,1344 0.288,1345 0.163,1346 14.995,1347 8.498,1348 12.356,1349 0.187,1350 0.09,1351 12.356,1352 5.938,1353 10.069,1354 0.118,1355 0.047,1356 10.069,1357 3.967,1358 8.864,1359 0.078,1360 0.025,1361 8.864,1362 2.857,1363 0.232,1364 105.68,1365 0.195,1366 31.822,1367 0.389,1368 180,1369 532.632,1370 204.098,1371 507.476,1372 703.71,1373 480,1374 208,1375 527.704,1376 232.268,1377 529.146,1378 773.79,1379 497,1380 8.35}
{0 CHEMBL1672328,1 1.679,2 10.75,3 1.826,4 3.335,5 105.666,6 7.926,7 0.581,8 4.01,9 4.138,10 3.63,11 3.434,12 5.175,13 3.468,14 4.523,15 4.705,16 3.958,17 3.782,18 5.677,19 3.798,20 4.672,21 4.876,22 3.968,23 3.902,24 5.741,25 3.885,26 4.695,27 4.93,28 3.864,29 3.879,30 5.732,31 3.83,32 4.658,33 4.896,34 3.893,35 3.868,36 5.684,37 3.824,38 4.602,39 4.807,40 3.923,41 3.873,42 5.667,43 3.842,44 4.682,45 4.898,46 3.912,47 3.919,48 5.713,49 3.87,50 4.769,51 5.006,52 3.861,53 3.91,54 5.776,55 3.84,56 0.112,57 0.787,58 9.146,59 3.385,60 10.32,61 4.635,62 0.543,63 1.156,64 18.603,65 5.643,66 35.602,67 7.631,68 0.492,69 1.319,70 21.863,71 6.21,72 32.202,73 9.216,74 0.503,75 1.305,76 23.298,77 6.596,78 41.271,79 10.068,80 0.501,81 1.267,82 22.699,83 6.546,84 35.89,85 10.291,86 0.426,87 1.266,88 19.771,89 6.566,90 27.806,91 9.396,92 0.46,93 1.303,94 22.128,95 7.075,96 31.564,97 10.461,98 0.471,99 1.303,100 25.853,101 8.164,102 41.092,103 12.1,104 6,105 42,106 0.284,107 0.644,108 0.803,109 0.83,110 0.83,111 0.83,112 3.375,113 0.85,114 -3.06,115 -3.06,116 -2.94,119 37.5,124 1,125 4,142 3,143 1,144 1,145 3,146 1,147 2,150 2,163 1,164 1,165 1,172 1,174 5,175 7,177 2,178 3,180 2,183 1,186 1,187 2,190 1,192 1,198 2,199 6,202 2,204 2,207 1,209 1,211 3,212 2,215 1,220 1,223 4,224 2,226 1,227 3,229 1,232 1,234 1,236 3,237 6,240 1,245 1,250 2,252 2,253 2,254 1,257 1,262 6,263 4,275 1294,276 19.334,277 19.334,278 19.334,279 19.334,280 19.334,281 17.225,282 27.417,283 11.57,284 20.174,285 15.286,286 15.286,287 15.286,288 15.286,289 15.286,290 12.067,291 42.013,292 5.504,293 16.559,294 3.906,295 1.78,296 0.839,297 0.682,298 0.682,299 0.682,300 4.076,303 1,304 1,305 1,306 653,307 2.449,311 369.535,318 1.5,319 25.305,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 62,331 301,332 4.372,333 3.187,334 6.313,335 3.971,336 3.03,337 4.038,338 0.86,339 9.706,340 2.869,341 4.06,342 2.911,343 6.02,344 3.652,345 2.712,346 3.653,347 0.86,348 8.645,349 2.549,350 3.987,351 2.836,352 5.59,353 3.611,354 2.674,355 3.53,356 0.8,357 7.684,358 2.494,359 3.674,360 2.654,361 5.302,362 3.313,363 2.396,364 2.957,365 0.4,366 6.813,367 2.196,368 3.574,369 2.409,370 5.055,371 3.159,372 2.246,373 2.886,375 6.13,376 2.044,377 3.32,378 2.271,379 4.926,380 2.918,381 1.985,382 2.58,384 5.729,385 1.845,386 2.923,387 2.068,388 4.424,389 2.62,390 1.719,391 2.012,393 4.39,394 1.542,395 2.743,396 1.507,397 4.185,398 2.27,399 1.333,400 1.826,402 3.675,403 1.246,404 2.5,405 1.256,406 3.491,407 1.959,408 1.048,409 1.5,411 2.595,412 0.957,413 2.5,414 1.256,415 3.414,416 1.952,417 1,418 1.5,420 2.275,421 0.946,422 2.2,423 1.117,424 3.414,425 1.928,426 1,427 1.175,428 2.275,429 0.916,430 2,431 1,432 3.247,433 1.917,434 1,435 1,436 2.136,437 0.916,438 1.748,439 1,440 3.039,441 1.446,442 0.589,443 0.659,445 1.012,446 0.501,447 1.244,448 0.267,449 2.681,450 0.908,456 1.172,457 -0.033,458 2.636,459 0.77,460 -0.15,461 -0.19,463 -0.341,464 -0.138,465 12.867,466 0.46,467 0.55,468 0.02,469 40.5,470 1.446,471 20,472 0.714,473 20.5,474 0.732,475 19.4,476 0.693,477 30.333,478 0.632,479 29.842,480 1.066,481 8.15,482 0.291,483 5.558,484 0.198,485 0.07,487 0.303,493 1.009,494 1.655,495 0.737,496 1.251,497 1.001,498 0.977,499 1.225,500 0.917,501 0.886,502 0.823,503 0.84,504 0.809,505 1.16,506 1.228,507 1.025,508 1.006,509 0.966,510 0.986,511 0.924,512 1.028,513 1.052,514 0.993,515 1.09,516 1.025,517 0.659,518 1.05,519 0.839,520 0.903,521 0.724,522 0.891,523 0.75,524 1.017,525 0.949,526 1.073,527 0.675,528 1.051,529 0.775,530 1.095,531 0.995,532 1.116,533 0.828,534 1.093,535 0.859,536 1.125,537 0.965,538 1.175,539 0.864,540 1.111,541 5.5,542 0.169,543 2.444,544 1.125,545 1.169,546 0.965,547 0.647,548 0.339,549 0.205,550 0.253,551 9743,552 28508,553 2.137,554 41.7,556 14,558 3,559 3,564 1.716,565 2.049,566 3.374,567 1.023,568 1,569 1,573 80.581,574 1.679,575 3.805,576 4.746,577 4.903,578 4.903,579 4.903,580 2.843,581 4.093,582 4.774,583 3.525,584 1332.43,585 8.336,586 17648.3,588 1,590 1,591 268.078,592 1.198,593 4.76,594 0.177,595 0.008,596 0.058,597 0.027,598 0.032,599 0.025,600 0.016,601 0.009,602 0.006,603 0.009,604 0.367,605 0.33,606 0.88,607 0.615,608 139.876,609 -0.131,610 -0.41,611 0.06,612 -0.187,613 -0.128,614 -0.043,615 -0.018,616 0.184,617 0.042,618 0.149,619 0.132,620 0.099,621 -0.182,622 -0.149,623 -0.102,624 -0.03,625 -0.092,626 -0.047,627 -0.103,628 0.02,629 -0.111,630 -0.032,631 -0.174,632 -0.066,633 0.096,634 -0.02,635 0.104,636 0.083,637 0.064,638 0.098,639 0.046,640 0.096,641 -0.057,642 -0.072,643 0.075,644 -0.09,645 0.023,646 -0.032,647 -0.083,648 -0.105,649 -0.027,650 -0.11,651 -0.001,652 -0.166,653 0.003,654 -0.155,655 0.027,656 -0.091,657 1.45,658 1.93,659 0.857,660 27.245,661 1.016,662 1.144,663 1.826,664 3.336,665 0.657,666 3.466,667 3.761,668 4.007,669 4.248,670 4.533,671 4.585,672 4.745,673 4.89,674 5.017,675 5.13,676 6.373,677 0.641,678 380.46,679 3.466,680 4.99,681 5.826,682 6.686,683 7.538,684 8.405,685 9.265,686 10.136,687 11.001,688 11.875,689 16.7,693 1,695 1,697 1,699 5,704 6,705 5,709 7,711 18,722 1,724 1,726 1,729 1,731 48,733 18,735 31,737 51,738 18,739 13,746 4,747 4,761 13,762 5,777 1,778 1,781 20,782 10,783 3,784 10,790 8,794 1,795 2,805 1,806 2,812 4,839 1,840 4,844 1,848 28,849 1,854 4,855 1,856 2,859 1,870 4.2,874 1,875 1,877 13.667,878 8.867,879 6.222,880 2.64,881 2.955,882 1.397,883 0.99,884 5.577,885 10.388,886 3.714,887 4.284,888 4.83,889 5.387,890 5.975,891 6.189,892 6.6,893 7.018,894 7.406,895 7.781,896 1,897 42,898 10.253,900 4.252,901 7.72,902 19.433,904 15.357,905 2.22,906 62.167,910 200.109,911 99.49,912 137.96,914 22,917 99.49,918 222.109,919 137.96,920 10.883,921 13.396,922 61.326,923 130.241,924 67.976,925 10.941,926 164.795,928 200.109,929 237.45,930 22,933 200.109,934 11,935 11,937 65.104,938 88.418,939 83.928,941 200.109,942 159.96,943 99.49,946 200.109,947 33.036,948 69.578,949 18.011,950 138.825,951 200.109,952 159.96,953 99.49,955 0.572,956 0.328,957 0.173,958 0.102,959 20,960 8,961 0.098,962 5,964 1,965 4.025,966 243.199,968 24,969 126.606,974 18.504,975 8.44,976 4.534,978 159.96,979 10.457,980 21.675,984 4.238,986 50.908,987 459.558,988 40,999 48.771,1000 54.896,1001 0.301,1002 0.681,1003 0.85,1004 0.878,1005 0.878,1006 0.878,1007 4.931,1008 1.333,1009 5.784,1010 4.39,1011 4.443,1012 4.97,1013 1.656,1014 6.538,1015 4.295,1016 6.109,1017 1.048,1018 7.302,1019 3.675,1020 3.892,1021 4.62,1022 0.325,1023 7.286,1024 3.691,1025 7.391,1026 1,1027 8.913,1028 2.595,1029 5.984,1030 7.1,1031 1.308,1032 10.35,1033 5.706,1034 8.705,1035 1,1036 10.579,1037 2.275,1038 6.236,1039 7.531,1040 0.268,1041 11.908,1042 5.908,1043 10.048,1044 1,1045 12.281,1046 2.275,1047 7.771,1048 9.483,1049 1.064,1050 14.465,1051 7.375,1052 11.411,1053 0.589,1054 14.007,1055 2.136,1056 8.414,1057 10.298,1058 0.188,1059 16.384,1060 7.97,1061 12.789,1063 15.75,1064 1.012,1065 9.698,1066 11.997,1067 0.862,1068 18.75,1069 9.192,1070 3.03,1071 -0.15,1072 17.507,1074 10.546,1075 13.032,1076 0.125,1077 20.841,1078 9.993,1079 2.712,1080 9.706,1081 19.275,1082 -0.341,1083 11.712,1084 14.592,1085 0.69,1086 23.132,1087 11.102,1088 2.674,1089 8.645,1090 21.052,1091 4.038,1092 12.671,1093 15.759,1094 0.082,1095 25.307,1096 12.012,1097 2.396,1098 7.684,1099 22.836,1100 3.653,1101 13.785,1102 17.24,1103 0.544,1104 27.57,1105 13.072,1106 2.246,1107 6.813,1108 24.626,1109 3.53,1110 14.803,1111 18.489,1112 0.054,1113 29.787,1114 14.04,1115 1.985,1116 6.13,1117 26.421,1118 2.957,1119 15.895,1120 19.924,1121 0.424,1122 32.043,1123 15.08,1124 1.719,1125 5.729,1126 28.221,1127 2.886,1128 16.945,1129 21.225,1130 0.035,1131 34.28,1132 16.08,1133 9263,1134 15988,1135 21.266,1136 31.523,1137 45.652,1138 46.202,1139 46.385,1140 45.45,1141 45.464,1142 58.628,1143 5.84,1144 126.127,1145 42.042,1146 5.372,1147 5.187,1148 6.114,1149 5.075,1150 5.03,1151 7.038,1152 1.72,1153 16.177,1154 4.811,1155 10.235,1156 1.473,1157 1.49,1158 1.496,1159 1.466,1160 1.467,1161 1.891,1162 0.188,1163 4.069,1164 1.356,1165 3.998,1166 4.047,1167 3.964,1168 3.844,1169 5.241,1170 3.867,1171 3.852,1172 3.893,1173 3.808,1174 3.717,1175 5.022,1176 3.733,1177 3.772,1178 3.832,1179 3.7,1180 3.556,1181 4.927,1182 3.581,1183 3.603,1184 3.66,1185 3.524,1186 3.395,1187 4.612,1188 3.421,1189 3.265,1190 3.328,1191 3.125,1192 2.982,1193 4.565,1194 3.003,1195 3.111,1196 3.206,1197 2.94,1198 2.941,1199 4.413,1200 2.91,1201 3.051,1202 3.149,1203 2.866,1204 2.795,1205 4.029,1206 2.822,1207 2.968,1208 3.044,1209 2.844,1210 2.712,1211 3.962,1212 2.731,1213 0.141,1214 0.103,1215 0.204,1216 0.128,1217 0.098,1218 4.372,1219 0.13,1220 3.187,1221 0.028,1222 6.313,1223 0.313,1224 3.971,1225 0.093,1226 3.03,1227 4.038,1228 0.86,1229 9.706,1230 2.869,1231 1.894,1232 1.853,1233 1.974,1234 2.073,1235 1.2,1236 2.045,1237 1.796,1238 1.76,1239 1.907,1240 1.961,1241 0.989,1242 1.944,1243 1.696,1244 1.638,1245 1.866,1246 1.932,1247 0.912,1248 1.915,1249 1.512,1250 1.458,1251 1.629,1252 1.747,1253 0.825,1254 1.718,1255 1.199,1256 1.128,1257 1.56,1258 1.514,1259 0.593,1260 1.528,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.557,1266 1.429,1267 0.968,1268 0.879,1269 1.23,1270 1.293,1271 0.263,1272 1.287,1273 0.88,1274 0.807,1275 1.126,1276 1.183,1277 0.16,1278 1.165,1279 4.143,1281 5.442,1283 6.942,1285 8.525,1287 10.15,1289 1.579,1293 5.601,1295 2.74,1296 3.264,1297 10.527,1300 2.086,1305 30.762,1306 80.581,1307 182.64,1308 227.814,1309 235.323,1310 235.323,1311 235.323,1312 33.965,1313 7.434,1314 124.2,1315 124.2,1316 24,1317 12.417,1318 4.248,1319 3.322,1320 42.141,1321 105,1322 126,1323 0.193,1324 189.859,1325 319.64,1326 455.017,1327 15725,1329 19.347,1330 0.691,1331 0.549,1332 19.347,1333 15.37,1334 13.708,1335 0.442,1336 0.283,1337 8.564,1338 12.885,1339 8.412,1340 6.952,1341 13.708,1342 8.778,1343 12.042,1344 0.287,1345 0.145,1346 12.042,1347 6.082,1348 10.132,1349 0.188,1350 0.078,1351 10.132,1352 4.194,1353 8.206,1354 0.119,1355 0.04,1356 8.206,1357 2.744,1358 7.023,1359 0.076,1360 0.02,1361 7.023,1362 1.861,1363 0.299,1364 87.813,1365 0.217,1366 26.625,1367 0.543,1368 146,1369 478.987,1370 167.021,1371 455.322,1372 628.05,1373 430,1374 169,1375 467.125,1376 189.775,1377 470.342,1378 684.86,1379 440,1380 7.046}
{0 CHEMBL1672329,1 1.663,2 10,3 0.45,4 0.202,5 102.357,6 8.143,7 0.6,8 3.959,9 4.102,10 3.595,11 3.365,12 5.161,13 3.41,14 4.454,15 4.642,16 3.936,17 3.723,18 5.663,19 3.745,20 4.627,21 4.841,22 3.923,23 3.839,24 5.723,25 3.826,26 4.626,27 4.869,28 3.811,29 3.8,30 5.679,31 3.754,32 4.575,33 4.817,34 3.864,35 3.774,36 5.641,37 3.749,38 4.507,39 4.702,40 3.897,41 3.799,42 5.63,43 3.786,44 4.643,45 4.866,46 3.888,47 3.867,48 5.704,49 3.821,50 4.711,51 4.954,52 3.817,53 3.828,54 5.759,55 3.765,56 0.142,57 0.774,58 8.279,59 2.682,60 14.129,61 3.918,62 0.498,63 1.117,64 16.273,65 4.929,66 36.258,67 6.831,68 0.531,69 1.25,70 20.436,71 5.364,72 35.22,73 8.285,74 0.479,75 1.191,76 21.311,77 5.8,78 42.475,79 9.212,80 0.507,81 1.156,82 20.649,83 5.568,84 37.818,85 8.912,86 0.412,87 1.185,88 16.501,89 5.322,90 26.51,91 7.664,92 0.469,93 1.235,94 20.874,95 6.723,96 34.461,97 10.016,98 0.477,99 1.198,100 23.863,101 7.027,102 43.234,103 10.895,104 5,105 41,106 0.285,107 0.631,108 0.743,109 0.774,110 0.782,111 0.789,112 3.34,113 0.831,114 -2.26,115 -2.3,116 -2.26,119 35.6,125 4,142 1,143 1,144 1,145 4,146 1,147 1,150 3,163 2,164 2,165 2,174 5,175 5,177 4,178 5,180 1,183 1,186 1,190 2,198 2,199 5,202 2,204 2,209 1,211 4,212 2,216 1,219 1,223 4,226 1,227 3,229 1,234 1,236 4,237 4,239 1,240 2,242 1,247 1,252 2,253 2,254 1,257 1,262 6,265 2,266 2,268 1,273 1,275 1126,276 18.463,277 18.463,278 18.463,279 18.463,280 18.463,281 16.303,282 26.266,283 11.072,284 19.222,285 14.858,286 14.858,287 14.858,288 14.858,289 14.858,290 11.644,291 39.862,292 5.365,293 16.087,294 3.828,295 1.811,296 1.156,297 0.978,298 0.933,299 0.889,300 4.041,304 1,305 1,306 588,307 2.236,311 351.387,318 1.333,319 26.159,322 0.75,323 0.83,324 0.83,325 0.5,327 0.67,328 0.5,329 0.58,330 60,331 270,332 4.372,333 3.187,334 6.313,335 3.971,336 3.03,337 4.037,338 0.86,339 9.706,340 2.869,341 4.047,342 2.874,343 6.02,344 3.65,345 2.711,346 3.637,347 0.8,348 8.645,349 2.537,350 3.977,351 2.768,352 5.57,353 3.586,354 2.652,355 3.524,356 0.4,357 7.635,358 2.47,359 3.667,360 2.498,361 5.176,362 3.285,363 2.368,364 2.957,366 6.468,367 2.172,368 3.55,369 2.338,370 5.021,371 3.129,372 2.215,373 2.859,375 6.024,376 2.02,377 3.289,378 2.268,379 4.819,380 2.879,381 1.947,382 2.548,384 5.471,385 1.811,386 2.921,387 1.998,388 4.42,389 2.615,390 1.712,391 2.01,393 4.381,394 1.539,395 2.742,396 1.496,397 4.185,398 2.269,399 1.332,400 1.826,402 3.674,403 1.245,404 2.5,405 1.256,406 3.491,407 1.952,408 1.048,409 1.5,411 2.594,412 0.946,413 2.5,414 1.255,415 3.414,416 1.928,417 1,418 1.5,420 2.275,421 0.916,422 2.199,423 1,424 3.414,425 1.917,426 1,427 1.174,428 2.275,429 0.916,430 2,431 1,432 3.247,433 1.917,434 1,435 1,436 2.136,437 0.916,438 1.46,439 0.381,440 2.97,441 1.105,442 0.195,443 0.237,445 0.483,446 0.177,447 1.178,448 -0.033,449 2.674,450 0.77,451 -0.15,452 -0.189,454 -0.34,455 -0.137,456 0.933,457 -0.243,458 2.506,459 0.525,460 -0.399,461 -0.498,463 -1.028,464 -0.368,465 12.333,466 0.457,467 0.588,468 0.022,469 40.25,470 1.491,471 20,472 0.741,473 20.25,474 0.75,475 17.845,476 0.661,477 29.067,478 0.646,479 29.106,480 1.078,481 7.967,482 0.295,483 5.202,484 0.193,485 0.065,487 0.316,493 1.107,494 1.689,495 0.742,496 1.185,497 1.149,498 0.918,499 1.071,500 0.905,501 0.847,502 0.88,503 0.653,504 0.846,505 1.214,506 1.179,507 1.054,508 0.993,509 0.935,510 0.993,511 0.881,512 1.053,513 1.02,514 1.044,515 1.017,516 1.047,517 0.759,518 0.985,519 0.8,520 0.853,521 0.647,522 0.826,523 0.865,524 1.059,525 1.016,526 1.13,527 0.726,528 1.103,529 0.727,530 1.049,531 0.954,532 1.168,533 0.726,534 1.118,535 0.901,536 1.23,537 0.997,538 1.285,539 0.892,540 1.189,541 5.5,542 0.157,543 2.444,544 1.125,545 1.129,546 0.903,547 0.647,548 0.339,549 0.205,550 0.243,551 8778,552 26563,553 2.142,554 40,556 9,558 4,559 5,564 1.707,565 2.051,566 3.292,567 2.657,569 1,573 74.855,574 1.663,575 3.681,576 4.336,577 4.514,578 4.559,579 4.603,580 2.689,581 4.236,582 4.723,583 3.435,584 1205.62,585 8.237,586 15534.6,588 1,591 247.133,592 1.218,593 4.706,594 0.183,595 0.009,596 0.06,597 0.028,598 0.032,599 0.024,600 0.017,601 0.009,602 0.006,603 0.009,604 0.377,605 0.17,606 0.88,607 0.454,608 132.766,609 -0.22,610 -0.423,611 0.035,612 -0.134,613 -0.227,614 -0.007,615 0.059,616 0.219,617 0.046,618 0.103,619 0.216,620 0.061,621 -0.207,622 -0.119,623 -0.133,624 -0.009,625 -0.112,626 -0.051,627 -0.071,628 -0.036,629 -0.075,630 -0.055,631 -0.15,632 -0.061,633 0.096,634 0.021,635 0.158,636 0.147,637 0.111,638 0.168,639 -0.014,640 0.097,641 -0.161,642 -0.118,643 -0.009,644 -0.165,645 0.093,646 -0.01,647 -0.034,648 -0.119,649 0.041,650 -0.106,651 -0.005,652 -0.283,653 -0.02,654 -0.249,655 -0.013,656 -0.158,657 1.461,658 1.911,659 0.889,660 24.73,661 1.02,662 1.152,663 1.028,664 1.057,665 0.657,666 3.434,667 3.738,668 3.97,669 4.22,670 4.511,671 4.543,672 4.71,673 4.86,674 4.99,675 5.081,676 6.086,677 0.645,678 366.44,679 3.434,680 4.963,681 5.796,682 6.658,683 7.509,684 8.377,685 9.237,686 10.108,687 10.973,688 11.847,689 22.2,693 2,695 1,697 1,699 6,704 5,705 6,709 7,711 18,722 2,724 1,726 1,731 45,733 18,735 30,737 48,738 16,739 12,746 4,747 4,761 12,762 4,777 1,778 1,781 18,782 11,783 5,784 11,790 10,794 1,795 1,806 3,812 4,839 1,840 4,848 27,849 2,854 4,855 1,856 1,859 1,870 2.2,874 1,877 13.167,878 7.9,879 5.889,880 2.438,881 2.933,882 1.399,883 1.01,884 5.026,885 10.284,886 3.689,887 4.27,888 4.806,889 5.367,890 5.958,891 6.153,892 6.569,893 7,894 7.387,895 7.749,896 0.857,897 40,898 9.866,900 4.134,901 7.784,902 18.562,904 14.76,905 2.284,906 61.667,910 153.024,911 75.786,912 187.643,914 11,917 75.786,918 164.024,919 187.643,921 13.396,922 75.271,923 158.797,924 66.024,925 8.025,926 105.94,928 153.024,929 263.429,930 11,933 153.024,935 11,937 76.051,938 86.665,939 100.713,941 153.024,942 198.643,943 75.786,946 153.024,947 30.12,948 48.79,949 18.011,950 177.507,951 153.024,952 198.643,953 75.786,955 0.577,956 0.323,957 0.171,958 0.104,959 20,960 8,961 0.083,962 4,964 1,965 3.934,966 232.675,968 24,969 116.382,974 17.49,975 7.758,976 4.257,978 198.643,979 8.235,980 25.308,984 3.659,986 83.805,987 427.453,988 39,999 45.88,1000 51.853,1001 0.303,1002 0.67,1003 0.79,1004 0.822,1005 0.83,1006 0.838,1007 4.909,1008 1.332,1009 5.759,1010 4.381,1011 4.419,1012 4.956,1013 1.324,1014 6.512,1015 4.269,1016 6.093,1017 1.048,1018 7.276,1019 3.674,1020 3.892,1021 4.62,1022 0.325,1023 7.248,1024 3.693,1025 7.377,1026 1,1027 8.886,1028 2.594,1029 5.958,1030 7.088,1031 0.958,1032 10.319,1033 5.675,1034 8.69,1035 1,1036 10.55,1037 2.275,1038 6.217,1039 7.518,1040 0.268,1041 11.871,1042 5.89,1043 10.033,1044 1,1045 12.25,1046 2.275,1047 7.745,1048 9.471,1049 0.736,1050 14.438,1051 7.341,1052 11.395,1053 0.195,1054 13.975,1055 2.136,1056 8.389,1057 10.283,1058 0.188,1059 16.357,1060 7.945,1061 12.772,1062 -0.15,1063 15.718,1064 0.483,1065 9.671,1066 11.985,1067 0.57,1068 18.729,1069 9.157,1070 3.03,1071 -0.399,1072 17.476,1073 -0.34,1074 10.521,1075 13.017,1076 0.125,1077 20.823,1078 9.965,1079 2.711,1080 9.706,1081 19.244,1082 -1.028,1083 11.688,1084 14.579,1085 0.439,1086 23.117,1087 11.068,1088 2.652,1089 8.645,1090 21.022,1091 4.037,1092 12.647,1093 15.745,1094 0.082,1095 25.295,1096 11.984,1097 2.368,1098 7.635,1099 22.807,1100 3.637,1101 13.762,1102 17.227,1103 0.334,1104 27.561,1105 13.04,1106 2.215,1107 6.468,1108 24.599,1109 3.524,1110 14.781,1111 18.475,1112 0.054,1113 29.779,1114 14.013,1115 1.947,1116 6.024,1117 26.396,1118 2.957,1119 15.875,1120 19.912,1121 0.252,1122 32.036,1123 15.052,1124 1.712,1125 5.471,1126 28.198,1127 2.859,1128 16.926,1129 21.212,1130 0.035,1131 34.275,1132 16.054,1133 8310,1134 14601,1135 20.572,1136 29.557,1137 44.651,1138 44.721,1139 45.052,1140 44.402,1141 44.418,1142 57.621,1143 4.12,1144 123.532,1145 41.067,1146 5.372,1147 5.187,1148 6.114,1149 5.075,1150 5.03,1151 7.037,1152 1.72,1153 16.177,1154 4.784,1155 9.884,1156 1.488,1157 1.491,1158 1.502,1159 1.48,1160 1.481,1161 1.921,1162 0.137,1163 4.118,1164 1.369,1165 3.993,1166 4.046,1167 3.961,1168 3.833,1169 5.253,1170 3.859,1171 3.827,1172 3.887,1173 3.789,1174 3.645,1175 5.226,1176 3.674,1177 3.771,1178 3.832,1179 3.697,1180 3.552,1181 4.971,1182 3.578,1183 3.598,1184 3.659,1185 3.52,1186 3.386,1187 4.631,1188 3.413,1189 3.13,1190 3.232,1191 3.043,1192 2.941,1193 4.611,1194 2.91,1195 3.111,1196 3.206,1197 2.925,1198 2.842,1199 4.546,1200 2.884,1201 3.027,1202 3.122,1203 2.866,1204 2.754,1205 4.039,1206 2.79,1207 2.882,1208 2.964,1209 2.749,1210 2.614,1211 3.962,1212 2.639,1213 0.146,1214 0.106,1215 0.21,1216 0.132,1217 0.101,1218 4.372,1219 0.135,1220 3.187,1221 0.029,1222 6.313,1223 0.324,1224 3.971,1225 0.096,1226 3.03,1227 4.037,1228 0.86,1229 9.706,1230 2.869,1231 1.887,1232 1.845,1233 1.966,1234 2.072,1235 1.2,1236 2.043,1237 1.741,1238 1.688,1239 1.881,1240 1.952,1241 0.968,1242 1.925,1243 1.695,1244 1.636,1245 1.825,1246 1.932,1247 0.825,1248 1.912,1249 1.503,1250 1.446,1251 1.611,1252 1.744,1253 0.796,1254 1.712,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.553,1260 1.429,1261 1.019,1262 0.924,1263 1.264,1264 1.366,1265 0.26,1266 1.347,1267 0.932,1268 0.843,1269 1.211,1270 1.273,1272 1.265,1273 0.796,1274 0.718,1275 1.095,1276 1.126,1278 1.118,1279 4.111,1281 5.416,1283 6.917,1285 8.5,1287 10.124,1293 11.118,1295 2.693,1296 3.177,1297 5.411,1300 2.065,1305 29.036,1306 74.855,1307 165.649,1308 195.133,1309 203.133,1310 205.133,1311 207.133,1312 32.297,1313 7.352,1314 153.88,1315 153.88,1316 24,1317 12.389,1318 4.248,1319 3.322,1320 39.882,1321 98,1322 106,1323 0.199,1324 180.267,1325 298.25,1326 431.611,1327 14118,1329 18.64,1330 0.69,1331 0.534,1332 18.64,1333 14.409,1334 13.17,1335 0.439,1336 0.277,1337 8.116,1338 12.394,1339 8.02,1340 6.604,1341 13.17,1342 8.314,1343 11.873,1344 0.29,1345 0.142,1346 11.873,1347 5.823,1348 9.723,1349 0.187,1350 0.075,1351 9.723,1352 3.92,1353 7.895,1354 0.118,1355 0.038,1356 7.895,1357 2.572,1358 6.925,1359 0.077,1360 0.02,1361 6.925,1362 1.764,1363 0.306,1364 84.213,1365 0.22,1366 25.739,1367 0.564,1368 142,1369 460.209,1370 162.946,1371 444.703,1372 614.05,1373 418,1374 164,1375 461.89,1376 184.476,1377 464.829,1378 676.58,1379 436,1380 8.222}
{0 CHEMBL1672330,1 1.631,2 9.269,3 0.554,4 0.307,5 101.229,6 7.295,7 0.414,8 4.019,9 4.155,10 3.573,11 3.431,12 5.065,13 3.445,14 4.597,15 4.79,16 3.906,17 3.819,18 5.624,19 3.804,20 4.822,21 5.061,22 3.894,23 3.955,24 5.727,25 3.893,26 4.797,27 5.064,28 3.805,29 3.907,30 5.707,31 3.817,32 4.714,33 4.973,34 3.843,35 3.865,36 5.637,37 3.807,38 4.632,39 4.836,40 3.896,41 3.899,42 5.654,43 3.851,44 4.777,45 5.005,46 3.856,47 3.97,48 5.664,49 3.891,50 4.89,51 5.146,52 3.799,53 3.982,54 5.764,55 3.868,56 0.073,57 0.775,58 10.892,59 3.643,60 8.439,61 5.537,62 0.486,63 1.171,64 22.005,65 6.444,66 33.864,67 9.456,68 0.53,69 1.359,70 28.679,71 7.313,72 36.623,73 12.21,74 0.515,75 1.308,76 28.176,77 7.483,78 40.235,79 12.592,80 0.456,81 1.242,82 25.806,83 6.582,84 35.237,85 11.36,86 0.432,87 1.269,88 22.06,89 6.903,90 31.766,91 10.489,92 0.366,93 1.336,94 26.35,95 7.883,96 28.835,97 12.586,98 0.554,99 1.348,100 30.851,101 9.064,102 43.257,103 14.326,104 2,105 39,106 0.278,107 0.593,108 0.756,109 0.791,110 0.791,111 0.791,112 3.305,113 0.922,114 -2.97,115 -2.97,116 -2.87,119 34.7,121 2,125 6,127 1,142 1,143 1,145 2,146 1,147 1,150 2,163 1,164 1,165 1,174 4,175 7,177 2,178 3,180 3,183 2,186 1,198 2,199 7,202 3,204 2,207 2,209 1,211 2,223 5,224 5,226 1,227 3,229 1,232 2,234 1,237 2,240 1,249 2,250 5,252 2,253 2,254 1,257 1,262 2,263 2,275 972,276 18.016,277 18.016,278 18.016,279 18.016,280 18.016,281 16.631,282 27.417,283 10.986,284 18.769,285 14.392,286 14.392,287 14.392,288 14.392,289 14.392,290 12.267,291 44.26,292 5.329,293 15.577,294 3.983,295 2.143,296 1.184,297 0.98,298 0.98,299 0.98,300 4.008,304 1,305 1,306 527,307 2.121,311 333.863,318 1.29,319 24.531,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 57.5,331 241,332 4.369,333 3.187,334 6.312,335 3.971,336 3.029,337 4.033,338 0.86,339 9.705,340 2.869,341 4.009,342 2.875,343 6.02,344 3.649,345 2.711,346 3.549,347 0.86,348 8.645,349 2.534,350 3.703,351 2.77,352 5.548,353 3.54,354 2.593,355 2.957,356 0.8,357 7.578,358 2.449,359 3.601,360 2.482,361 5.102,362 3.242,363 2.319,364 2.839,365 0.4,366 6.27,367 2.139,368 3.313,369 2.3,370 4.978,371 3.032,372 2.098,373 2.389,375 5.888,376 1.951,377 2.928,378 2.259,379 4.43,380 2.646,381 1.751,382 2.009,384 4.417,385 1.561,386 2.744,387 1.925,388 4.186,389 2.323,390 1.433,391 1.826,393 3.681,394 1.277,395 2.5,396 1.488,397 3.587,398 2.217,399 1.305,400 1.5,402 3.015,403 1.174,404 2.428,405 1.256,406 3.489,407 1.969,408 1.047,409 1.427,411 2.591,412 0.963,413 2.198,414 1.255,415 3.414,416 1.952,417 1,418 1.173,420 2.275,421 0.946,422 2,423 1.2,424 3.247,425 1.927,426 1,427 1,428 2.136,429 0.916,430 2,431 1,432 3.247,433 1.917,434 1,435 1,436 2.136,437 0.915,438 1.197,439 0.224,440 2.87,441 0.919,447 1.147,448 -0.033,449 2.673,450 0.77,451 -0.151,452 -0.19,454 -0.342,455 -0.138,456 0.771,457 -0.33,458 2.493,459 0.426,460 -0.501,461 -0.57,463 -1.271,464 -0.463,465 11.967,466 0.46,467 0.482,468 0.019,469 32.5,470 1.25,471 13.5,472 0.519,473 19,474 0.731,475 21.362,476 0.822,477 29.433,478 0.601,479 22.698,480 0.873,481 6.229,482 0.24,483 6.547,484 0.252,485 0.033,487 0.284,493 0.985,494 1.712,495 0.802,496 1.331,497 0.971,498 1.064,499 1.274,500 1.009,501 0.988,502 0.984,503 0.87,504 0.959,505 1.176,506 1.169,507 1.036,508 0.967,509 0.965,510 0.975,511 0.713,512 0.988,513 0.946,514 0.964,515 0.876,516 0.981,517 0.788,518 1.042,519 0.811,520 0.823,521 0.817,522 0.803,523 0.747,524 1.039,525 1.065,526 1.168,527 0.742,528 1.165,529 0.868,530 1.245,531 1.066,532 1.233,533 0.909,534 1.184,535 0.795,536 1.019,537 1.071,538 1.178,539 0.84,540 1.176,541 4.5,542 0.091,543 2,544 1.063,545 0.938,546 0.847,547 0.565,548 0.29,549 0.135,550 0.147,551 7933,552 20641,553 2.172,554 46.9,556 14,558 2,559 3,562 4,564 1.698,565 2.108,566 3.208,567 1.05,569 1,573 79.941,574 1.631,575 3.472,576 4.431,577 4.635,578 4.635,579 4.635,580 2.519,581 3.902,582 4.669,583 3.355,584 1090.44,585 8.132,586 13677.9,588 1,591 275.121,592 1.058,593 4.663,594 0.155,595 0.007,596 0.051,597 0.028,598 0.028,599 0.023,600 0.015,601 0.008,602 0.004,603 0.006,604 0.325,605 0.33,606 1,607 0.362,608 125.866,609 -0.096,610 -0.381,611 0.071,612 -0.167,613 -0.058,614 -0.03,615 -0.053,616 0.126,617 -0.021,618 0.041,619 0.116,620 0.004,621 -0.173,622 -0.137,623 -0.066,624 0.021,625 -0.083,626 -0.002,627 0.041,628 0.033,629 0.009,630 0.005,631 -0.013,632 0.001,633 0.014,634 -0.011,635 0.148,636 0.157,637 0.013,638 0.182,639 0.076,640 0.174,641 -0.154,642 -0.124,643 0.053,644 -0.179,645 -0.076,646 -0.155,647 -0.142,648 -0.18,649 -0.122,650 -0.169,651 0.048,652 -0.024,653 -0.117,654 -0.167,655 0.017,656 -0.172,657 1.42,658 1.94,659 0.923,660 23.183,661 1.009,662 1.148,663 1.741,664 3.03,665 0.633,666 3.401,667 3.689,668 3.932,669 4.19,670 4.466,671 4.5,672 4.673,673 4.828,674 4.934,675 5.004,676 5.841,677 0.608,678 357.47,679 3.401,680 4.92,681 5.753,682 6.611,683 7.461,684 8.327,685 9.186,686 10.058,687 10.922,688 11.796,689 14.3,693 1,694 1,695 1,699 4,704 3,705 4,709 5,711 12,722 1,724 1,726 1,731 49,733 12,735 29,737 52,738 17,739 8,746 4,747 4,755 3,758 3,761 8,762 9,777 1,778 1,781 23,782 9,783 3,784 9,790 7,794 1,795 2,806 2,812 4,839 2,840 4,848 26,849 1,854 8,855 1,856 2,858 1,859 1,870 4.1,874 2,877 12.333,878 8.5,879 5.722,880 2.975,881 2.142,882 1.295,883 0.979,884 5.437,885 9.405,886 3.584,887 4.094,888 4.605,889 5.152,890 5.722,891 5.967,892 6.37,893 6.737,894 7.041,895 7.296,896 0.714,897 38,898 9.599,900 4.034,901 7.622,902 18.61,904 15.245,905 2.122,906 55.167,910 235.422,911 67.29,912 121.174,914 22,917 67.29,918 257.422,919 121.174,921 27.65,922 42.373,923 130.695,924 27.161,925 6.126,926 211.88,928 235.422,929 188.464,930 22,933 188.338,934 47.084,935 22,937 52.3,938 51.011,939 85.153,941 235.422,942 143.174,943 67.29,946 235.422,947 39.718,948 30.695,949 18.011,950 122.039,951 235.422,952 143.174,953 67.29,955 0.57,956 0.322,957 0.175,958 0.103,959 19,960 7,961 0.077,962 4,964 1,965 3.874,966 221.083,968 24,969 106.211,974 17.403,975 8.123,976 4.406,978 143.174,979 5.312,980 17.617,984 3.33,986 50.908,987 445.886,988 35,999 49.436,1000 56.229,1001 0.291,1002 0.618,1003 0.789,1004 0.826,1005 0.826,1006 0.826,1007 4.812,1008 1.305,1009 5.7,1010 3.681,1011 4.369,1012 4.779,1013 1.656,1014 6.447,1015 4.223,1016 5.955,1017 1.047,1018 7.209,1019 3.015,1020 3.761,1021 4.388,1022 0.325,1023 7.168,1024 3.577,1025 7.22,1026 1,1027 8.814,1028 2.591,1029 5.894,1030 6.832,1031 1.308,1032 10.264,1033 5.624,1034 8.517,1035 1,1036 10.478,1037 2.275,1038 6.111,1039 7.273,1040 0.268,1041 11.829,1042 5.811,1043 9.849,1044 1,1045 12.181,1046 2.136,1047 7.678,1048 9.193,1049 1.064,1050 14.402,1051 7.296,1052 11.204,1054 13.911,1055 2.136,1056 8.306,1057 10.043,1058 0.188,1059 16.334,1060 7.891,1061 12.577,1062 -0.151,1063 15.66,1065 9.609,1066 11.717,1067 0.862,1068 18.708,1069 9.121,1070 3.029,1071 -0.501,1072 17.424,1073 -0.342,1074 10.453,1075 12.791,1076 0.125,1077 20.809,1078 9.927,1079 2.711,1080 9.705,1081 19.198,1082 -1.271,1083 11.631,1084 14.335,1085 0.69,1086 23.105,1087 11.039,1088 2.593,1089 8.645,1090 20.982,1091 4.033,1092 12.591,1093 15.538,1094 0.082,1095 25.286,1096 11.956,1097 2.319,1098 7.578,1099 22.772,1100 3.549,1101 13.713,1102 17.011,1103 0.544,1104 27.554,1105 13.017,1106 2.098,1107 6.27,1108 24.569,1109 2.957,1110 14.733,1111 18.29,1112 0.054,1113 29.774,1114 13.991,1115 1.751,1116 5.888,1117 26.37,1118 2.839,1119 15.832,1120 19.723,1121 0.424,1122 32.032,1123 15.033,1124 1.433,1125 4.417,1126 28.175,1127 2.389,1128 16.886,1129 21.047,1130 0.035,1131 34.271,1132 16.037,1133 7469,1134 12176,1135 20.167,1136 31.04,1137 42.619,1138 43.205,1139 42.932,1140 42.589,1141 42.574,1142 51.406,1143 5.84,1144 116.672,1145 39.386,1146 5.369,1147 5.187,1148 6.114,1149 5.074,1150 5.029,1151 7.033,1152 1.72,1153 16.177,1154 4.784,1155 6.766,1156 1.47,1157 1.49,1158 1.48,1159 1.469,1160 1.468,1161 1.773,1162 0.201,1163 4.023,1164 1.358,1165 3.992,1166 4.044,1167 3.955,1168 3.834,1169 5.241,1170 3.857,1171 3.808,1172 3.862,1173 3.726,1174 3.641,1175 4.974,1176 3.647,1177 3.768,1178 3.827,1179 3.66,1180 3.552,1181 4.618,1182 3.574,1183 3.596,1184 3.653,1185 3.51,1186 3.388,1187 4.611,1188 3.412,1189 3.111,1190 3.206,1191 2.997,1192 2.941,1193 4.557,1194 2.91,1195 3.111,1196 3.206,1197 2.912,1198 2.941,1199 4.124,1200 2.91,1201 3.102,1202 3.186,1203 2.866,1204 2.816,1205 3.962,1206 2.852,1207 3.016,1208 3.098,1209 2.866,1210 2.726,1211 3.849,1212 2.764,1213 0.151,1214 0.11,1215 0.218,1216 0.137,1217 0.104,1218 4.369,1219 0.139,1220 3.187,1221 0.03,1222 6.312,1223 0.335,1224 3.971,1225 0.099,1226 3.029,1227 4.033,1228 0.86,1229 9.705,1230 2.869,1231 1.89,1232 1.847,1233 2.015,1234 2.075,1235 1.347,1236 2.053,1237 1.768,1238 1.718,1239 1.944,1240 1.968,1241 1.199,1242 1.969,1243 1.695,1244 1.637,1245 1.871,1246 1.932,1247 0.953,1248 1.915,1249 1.508,1250 1.452,1251 1.628,1252 1.745,1253 0.825,1254 1.718,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.603,1266 1.429,1267 0.997,1268 0.916,1269 1.268,1270 1.335,1271 0.421,1272 1.32,1273 0.912,1274 0.834,1275 1.201,1276 1.255,1277 0.258,1278 1.243,1279 4.078,1281 5.371,1283 6.866,1285 8.446,1287 10.068,1293 5.604,1295 6.406,1296 3.527,1297 10.878,1299 0.353,1300 2.139,1305 29.794,1306 79.941,1307 170.124,1308 217.121,1309 227.121,1310 227.121,1311 227.121,1312 33.63,1313 7.263,1314 111.31,1315 111.31,1316 24,1317 12.339,1318 3.7,1319 2.807,1320 37.688,1321 92,1322 90,1323 0.203,1324 182.255,1325 310.16,1326 436.462,1327 12643,1329 17.769,1330 0.683,1331 0.561,1332 17.769,1333 14.596,1334 12.776,1335 0.441,1336 0.307,1337 8.72,1338 12.026,1339 8.622,1340 7.039,1341 12.776,1342 8.917,1343 11.251,1344 0.288,1345 0.164,1346 11.251,1347 6.399,1348 9.313,1349 0.186,1350 0.091,1351 9.313,1352 4.549,1353 7.753,1354 0.119,1355 0.047,1356 7.753,1357 3.082,1358 6.634,1359 0.077,1360 0.025,1361 6.634,1362 2.14,1363 0.311,1364 81.653,1365 0.223,1366 24.882,1367 0.582,1368 136,1369 415.342,1370 155.19,1371 390.062,1372 536.63,1373 370,1374 157,1375 393.47,1376 175.915,1377 392.891,1378 576.86,1379 370,1380 6.658}
{0 CHEMBL1672331,1 1.656,2 8.421,3 0.365,4 0.133,5 72.246,6 7.828,7 0.571,8 3.639,9 3.773,10 3.253,11 3.066,12 4.786,13 3.095,14 4.16,15 4.352,16 3.567,17 3.415,18 5.291,19 3.422,20 4.315,21 4.534,22 3.54,23 3.516,24 5.335,25 3.484,26 4.274,27 4.523,28 3.374,29 3.433,30 5.29,31 3.369,32 4.191,33 4.446,34 3.313,35 3.343,36 5.189,37 3.28,38 4.009,39 4.233,40 3.186,41 3.24,42 5.045,43 3.167,44 3.953,45 4.186,46 2.974,47 3.112,48 4.895,49 3.017,50 3.943,51 4.236,52 2.74,53 2.869,54 4.889,55 2.759,56 0.069,57 0.548,58 6.43,59 2.246,60 7.729,61 3.25,62 0.36,63 0.799,64 13.061,65 3.833,66 24.886,67 5.361,68 0.347,69 0.885,70 15.949,71 4.305,72 23.036,73 6.729,74 0.309,75 0.823,76 15.575,77 4.116,78 28.49,79 6.667,80 0.322,81 0.73,82 14.868,83 4.01,84 25.267,85 6.546,86 0.238,87 0.637,88 11.424,89 4.019,90 18.331,91 5.734,92 0.149,93 0.555,94 11.176,95 3.726,96 15.255,97 5.613,98 0.268,99 0.462,100 12.654,101 3.086,102 25.576,103 5.078,104 2,105 28,106 0.309,107 0.643,108 0.752,109 0.783,110 0.783,111 0.783,112 3.01,113 0.866,114 -2.09,115 -2.14,116 -2.12,119 36.4,125 4,142 1,143 1,145 3,146 1,150 2,163 1,164 1,165 1,174 4,175 5,177 2,178 2,183 1,186 1,198 2,199 5,204 1,209 1,211 2,223 4,226 1,227 1,229 1,234 1,237 2,252 2,253 2,262 2,275 400,276 13.137,277 13.137,278 13.137,279 13.137,280 13.137,281 11.725,282 13.617,283 7.979,284 13.684,285 10.392,286 10.392,287 10.392,288 10.392,289 10.392,290 8.323,291 17.362,292 3.819,293 11.257,294 3.389,295 1.599,296 1.015,297 0.848,298 0.848,299 0.848,300 3.695,304 1,305 1,306 347,307 1.581,311 173.667,318 1.285,319 16.341,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 42,331 160,332 4.309,333 3.147,334 6.265,335 3.914,336 2.97,337 3.955,338 0.86,339 9.495,340 2.823,341 3.977,342 2.826,343 6.014,344 3.643,345 2.71,346 3.474,347 0.8,348 8.617,349 2.508,350 3.637,351 2.424,352 5.048,353 3.214,354 2.301,355 2.957,357 6.108,358 2.098,359 3.142,360 2.27,361 4.583,362 2.799,363 1.884,364 2.305,366 4.832,367 1.721,368 2.778,369 1.742,370 4.153,371 2.412,372 1.485,373 1.843,375 3.674,376 1.369,377 2.588,378 1.259,379 3.524,380 2.049,381 1.127,382 1.629,384 2.688,385 1.036,386 2.5,387 1.256,388 3.429,389 1.952,390 1,391 1.5,393 2.382,394 0.946,395 2.191,396 1.093,397 3.414,398 1.917,399 1,400 1.16,402 2.275,403 0.916,404 2,405 1,406 3.247,407 1.896,408 1,409 1,411 2.136,412 0.89,413 1.177,414 -0.033,415 2.547,416 0.77,417 -0.15,418 -0.189,420 -0.333,421 -0.138,422 0.779,423 -0.333,424 2.398,425 0.422,426 -0.504,427 -0.573,428 -1.189,429 -0.465,430 0.602,431 -0.36,432 2,433 0.139,434 -0.804,435 -1,436 -1.98,437 -0.757,438 0.5,439 -0.744,440 1.734,441 -0.049,442 -1,443 -1.042,445 -2.347,446 -0.846,447 0.208,448 -0.922,449 1.581,450 -0.065,451 -1,452 -1.259,454 -2.561,455 -0.933,457 -1,458 1.555,459 -0.149,460 -1,461 -1.5,463 -3,464 -0.946,465 8.733,466 0.46,467 0.346,468 0.018,469 27,470 1.421,471 13,472 0.684,473 14,474 0.737,475 11.364,476 0.598,477 20.667,478 0.626,479 16.689,480 0.878,481 5.394,482 0.284,483 3.932,484 0.207,485 0.046,487 0.275,493 0.997,494 1.702,495 0.739,496 1.267,497 1.01,498 0.991,499 1.235,500 0.85,501 0.928,502 0.834,503 0.809,504 0.84,505 1.181,506 1.199,507 1.013,508 0.977,509 0.909,510 0.968,511 0.923,512 1.03,513 1.087,514 1.018,515 1.081,516 1.055,517 0.744,518 0.975,519 0.883,520 0.893,521 0.764,522 0.899,523 0.604,524 0.829,525 1,526 1.184,527 0.612,528 1.179,529 0.828,530 1.332,531 1.036,532 1.427,533 0.936,534 1.308,535 1.007,536 0.859,537 1.032,538 0.992,539 1.092,540 1.013,541 3,542 0.025,543 2,544 0.688,545 0.476,546 0.611,547 0.281,548 0.078,549 0.102,550 0.063,551 3383,552 9761,553 2.145,554 42.4,556 9,558 3,559 2,564 1.602,565 2.073,566 3.102,567 0.497,569 1,573 54.633,574 1.656,575 3.446,576 4.029,577 4.196,578 4.196,579 4.196,580 2.524,581 3.827,582 4.22,583 3.164,584 541.034,585 7.183,586 5258.12,588 1,591 166.465,592 1.105,593 4.207,594 0.143,595 0.008,596 0.071,597 0.025,598 0.022,599 0.029,600 0.016,601 0.006,602 0.01,603 0.01,604 0.341,605 0.67,606 1,607 0.447,608 82.183,609 -0.129,610 -0.45,611 0.061,612 -0.196,613 -0.116,614 -0.049,615 -0.03,616 0.255,617 -0.003,618 0.131,619 0.115,620 0.064,621 -0.174,622 -0.174,623 -0.075,624 0.006,625 -0.06,626 -0.015,627 -0.127,628 -0.009,629 -0.147,630 -0.07,631 -0.172,632 -0.101,633 0.083,634 -0.014,635 0.085,636 0.085,637 0.053,638 0.093,639 0.184,640 0.213,641 -0.091,642 -0.153,643 0.164,644 -0.181,645 -0.024,646 -0.389,647 -0.1,648 -0.365,649 -0.085,650 -0.268,651 -0.004,652 -0.042,653 0.024,654 -0.075,655 -0.03,656 -0.026,657 1.411,658 1.818,659 0.947,660 12.582,661 1.014,662 1.147,663 0.864,664 0.746,665 0.653,666 3.091,667 3.367,668 3.611,669 3.829,670 4.078,671 4.025,672 4.111,673 4.143,674 4.174,675 4.143,676 4.917,677 0.635,678 258.32,679 3.091,680 4.595,681 5.425,682 6.275,683 7.122,684 7.978,685 8.831,686 9.689,687 10.545,688 11.405,689 18.2,693 1,695 1,699 4,704 4,705 4,709 4,711 12,722 1,726 1,731 33,733 12,735 21,737 35,738 12,739 8,746 3,747 3,761 8,762 4,777 1,778 1,781 14,782 7,783 2,784 7,790 6,794 1,795 1,806 2,812 3,839 1,840 3,848 19,849 1,854 4,856 1,859 1,870 3,874 1,877 9.167,878 5.833,879 4.222,880 1.874,881 2.271,882 1.349,883 0.987,884 3.422,885 8.779,886 3.332,887 3.871,888 4.413,889 4.949,890 5.513,891 5.661,892 6.033,893 6.333,894 6.607,895 6.813,896 0.833,897 27,898 6.956,900 2.878,901 7.719,902 13.244,904 10.5,905 2.219,906 42.167,907 0.001,910 141.253,911 59.755,912 103.164,914 11,917 59.755,918 152.253,919 103.164,921 13.396,922 42.373,923 113.455,924 36.209,925 3.798,926 105.94,928 141.253,929 162.919,930 11,933 141.253,935 11,937 47.093,938 48.683,939 67.142,941 141.253,942 114.164,943 59.755,946 141.253,947 23.137,948 39.743,950 111.039,951 141.253,952 114.164,953 59.755,955 0.569,956 0.327,957 0.175,958 0.101,959 14,960 5,961 0.057,962 2,964 1,965 3.237,966 137.959,968 18,969 72.711,974 12.117,975 5.367,976 2.739,978 114.164,979 6.893,980 16.775,984 2.575,986 32.897,987 315.172,988 27,999 33.473,1000 37.86,1001 0.328,1002 0.683,1003 0.799,1004 0.832,1005 0.832,1006 0.832,1007 4.533,1008 1,1009 5.371,1010 2.382,1011 4.043,1012 4.554,1013 1.235,1014 6.116,1015 3.895,1016 5.692,1017 1,1018 6.882,1019 2.275,1020 3.434,1021 4.111,1022 0.325,1023 6.88,1024 3.24,1025 6.961,1026 -0.15,1027 8.496,1028 2.136,1029 5.565,1030 6.651,1031 0.938,1032 9.958,1033 5.284,1034 8.265,1035 -0.504,1036 10.172,1037 -0.333,1038 5.802,1039 7.037,1040 0.268,1041 11.585,1042 5.485,1043 9.603,1044 -0.804,1045 11.889,1046 -1.189,1047 7.362,1048 9.028,1049 0.732,1050 14.136,1051 6.966,1052 10.964,1053 -1,1054 13.633,1055 -1.98,1056 8.01,1057 9.823,1058 0.188,1059 16.107,1060 7.581,1061 12.343,1062 -1,1063 15.398,1064 -2.347,1065 9.306,1066 11.543,1067 0.57,1068 18.465,1069 8.805,1070 2.97,1071 -1,1072 17.176,1073 -2.561,1074 10.163,1075 12.565,1076 0.125,1077 20.582,1078 9.627,1079 2.71,1080 9.495,1081 18.965,1082 -3,1083 11.334,1084 14.136,1085 0.438,1086 22.863,1087 10.735,1088 2.301,1089 8.617,1090 20.761,1091 3.955,1092 12.297,1093 15.293,1094 0.082,1095 25.043,1096 11.659,1097 1.884,1098 6.108,1099 22.562,1100 3.474,1101 13.412,1102 16.778,1103 0.334,1104 27.295,1105 12.716,1106 1.485,1107 4.832,1108 24.368,1109 2.957,1110 14.429,1111 18.018,1112 0.054,1113 29.504,1114 13.691,1115 1.127,1116 3.674,1117 26.178,1118 2.305,1119 15.519,1120 19.453,1121 0.252,1122 31.746,1123 14.727,1124 1,1125 2.688,1126 27.99,1127 1.843,1128 16.564,1129 20.743,1130 0.035,1131 33.969,1132 15.728,1133 3264,1134 5643,1135 14.504,1136 21.534,1137 31.099,1138 31.188,1139 31.353,1140 30.962,1141 30.953,1142 39.646,1143 3.32,1144 84.41,1145 28.614,1146 5.309,1147 5.147,1148 6.067,1149 5.017,1150 4.97,1151 6.955,1152 1.72,1153 15.927,1154 4.716,1155 5.442,1156 1.481,1157 1.485,1158 1.493,1159 1.474,1160 1.474,1161 1.888,1162 0.158,1163 4.02,1164 1.363,1165 3.966,1166 4.018,1167 3.93,1168 3.813,1169 5.241,1170 3.836,1171 3.774,1172 3.835,1173 3.702,1174 3.558,1175 4.979,1176 3.584,1177 3.596,1178 3.656,1179 3.507,1180 3.39,1181 4.612,1182 3.412,1183 3.111,1184 3.206,1185 2.938,1186 2.941,1187 4.559,1188 2.91,1189 3.041,1190 3.138,1191 2.866,1192 2.781,1193 3.962,1194 2.813,1195 2.902,1196 2.972,1197 2.779,1198 2.639,1199 3.922,1200 2.665,1201 2.679,1202 2.776,1203 2.56,1204 2.423,1205 3.846,1206 2.442,1207 2.541,1208 2.646,1209 2.413,1210 2.231,1211 3.474,1212 2.26,1213 0.205,1214 0.15,1215 0.298,1216 0.186,1217 0.141,1218 4.309,1219 0.188,1220 3.147,1221 0.041,1222 6.265,1223 0.452,1224 3.914,1225 0.134,1226 2.97,1227 3.955,1228 0.86,1229 9.495,1230 2.823,1231 1.874,1232 1.832,1233 1.965,1234 2.055,1235 1.199,1236 2.03,1237 1.696,1238 1.639,1239 1.876,1240 1.932,1241 0.949,1242 1.916,1243 1.517,1244 1.459,1245 1.651,1246 1.751,1247 0.825,1248 1.728,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.576,1254 1.429,1255 0.953,1256 0.864,1257 1.228,1258 1.286,1259 0.261,1260 1.281,1261 0.813,1262 0.743,1263 1.101,1264 1.131,1266 1.123,1267 0.618,1268 0.524,1269 0.921,1270 0.912,1272 0.918,1273 0.45,1274 0.347,1275 0.785,1276 0.777,1278 0.77,1279 3.761,1281 5.043,1283 6.538,1285 8.118,1287 9.739,1293 5.474,1295 3.028,1297 5.318,1300 2.102,1305 20.95,1306 54.633,1307 113.71,1308 132.955,1309 138.465,1310 138.465,1311 138.465,1312 19.52,1313 6.509,1314 90.05,1315 90.05,1316 18,1317 11.956,1318 3.7,1319 2.807,1320 27.812,1321 56,1322 55,1323 0.25,1324 130.896,1325 216.23,1326 311.146,1327 5089,1329 13.079,1330 0.688,1331 0.545,1332 13.079,1333 10.359,1334 9.326,1335 0.444,1336 0.289,1337 5.923,1338 8.781,1339 5.849,1340 4.802,1341 9.326,1342 6.064,1343 8.105,1344 0.289,1345 0.149,1346 8.105,1347 4.171,1348 6.799,1349 0.189,1350 0.081,1351 6.799,1352 2.904,1353 5.486,1354 0.122,1355 0.042,1356 5.486,1357 1.895,1358 4.654,1359 0.08,1360 0.022,1361 4.654,1362 1.265,1363 0.383,1364 59.593,1365 0.263,1366 18.985,1367 0.705,1368 98,1369 317.273,1370 111.869,1371 302.811,1372 416.46,1373 286,1374 113,1375 307.51,1376 126.926,1377 308.817,1378 450.45,1379 290,1380 6.886}
{0 CHEMBL1684984,1 1.854,2 8.577,3 0.716,4 0.512,5 98.939,6 8.388,7 0.414,8 3.956,9 4.068,10 3.773,11 3.427,12 5.028,13 3.424,14 4.543,15 4.717,16 4.064,17 3.821,18 5.833,19 3.81,20 4.732,21 4.924,22 4.094,23 3.956,24 5.84,25 3.92,26 4.74,27 4.942,28 4.063,29 3.956,30 5.944,31 3.914,32 4.736,33 4.955,34 4.044,35 3.926,36 5.81,37 3.874,38 4.674,39 4.878,40 4.115,41 3.928,42 5.839,43 3.877,44 4.724,45 4.899,46 4.072,47 4.007,48 5.811,49 3.914,50 4.931,51 5.163,52 3.877,53 3.886,54 6.146,55 3.769,56 0.161,57 0.771,58 10.918,59 3.755,60 21.136,61 4.614,62 0.682,63 1.177,64 22.04,65 6.718,66 63.788,67 8.26,68 0.69,69 1.353,70 26.81,71 7.493,72 63.709,73 9.857,74 0.698,75 1.361,76 25.59,77 7.557,78 76.292,79 10.065,80 0.625,81 1.321,82 25.909,83 7.376,84 59.773,85 10.803,86 0.688,87 1.314,88 22.814,89 7.396,90 44.353,91 9.756,92 0.486,93 1.354,94 29.181,95 9.259,96 43.773,97 11.334,98 1.016,99 1.234,100 38.024,101 10.513,102 134.431,103 13.681,104 18,105 43,106 0.319,107 0.627,108 0.776,109 0.797,110 0.797,111 0.797,112 3.306,113 1.042,114 -2.4,115 -2.43,116 -2.39,119 33.3,121 1,124 1,125 5,143 2,145 2,146 1,147 1,150 2,163 1,164 1,165 1,172 1,174 8,175 7,177 2,178 2,183 1,186 1,187 2,195 1,198 6,199 10,204 1,209 1,211 2,212 3,223 10,224 2,226 1,227 1,229 1,234 1,236 1,237 2,242 1,247 1,249 4,250 1,252 3,253 3,262 4,275 926,276 17.264,277 17.264,278 17.264,279 17.264,280 17.264,281 15.522,282 23.178,283 9.983,284 17.932,285 14.342,286 14.342,287 14.342,288 14.342,289 14.342,290 11.56,291 33.166,292 4.775,293 15.447,294 3.638,295 1.852,296 0.984,297 0.861,298 0.861,299 0.861,300 3.999,304 1,305 1,306 483,307 3.162,310 54.138,311 206.186,314 97.52,318 1.192,319 38.253,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 58.5,331 223,332 4.82,333 4.387,334 7.31,335 4.391,336 3.448,337 4.568,338 0.86,339 12.599,340 3.247,341 4.478,342 3.349,343 6.674,344 4.028,345 3.075,346 4.195,347 0.8,348 10.684,349 2.924,350 4.004,351 3.024,352 6.099,353 3.659,354 2.737,355 3.571,356 0.4,357 8.903,358 2.516,359 3.827,360 2.716,361 5.832,362 3.456,363 2.517,364 3.101,366 7.933,367 2.364,368 3.549,369 2.378,370 5.089,371 3.115,372 2.194,373 2.879,375 6.118,376 2.011,377 2.986,378 2.296,379 4.767,380 2.729,381 1.829,382 2.069,384 4.776,385 1.642,386 2.907,387 1.843,388 4.52,389 2.475,390 1.527,391 2.019,393 4.655,394 1.441,395 2.5,396 1.635,397 4.148,398 2.174,399 1.266,400 1.5,402 3.176,403 1.146,404 2.371,405 1.277,406 3.726,407 1.963,408 1.055,409 1.352,411 2.797,412 0.951,413 2.251,414 1.256,415 3.447,416 1.952,417 1,418 1.212,420 2.275,421 0.946,422 2,423 1,424 3.414,425 1.917,426 1,427 1,428 2.136,429 0.916,430 1.874,431 0.965,432 3.247,433 1.642,434 0.703,435 0.796,436 1.948,437 0.657,438 1.182,439 0.472,440 2.843,441 0.784,442 -0.136,443 -0.171,445 -0.318,446 -0.125,447 1,448 -0.033,449 2.746,450 0.48,451 -0.448,452 -0.511,454 -1.156,455 -0.414,456 0.815,457 -0.297,458 2.441,459 0.213,460 -0.724,461 -0.878,463 -1.94,464 -0.676,465 12.133,466 0.467,467 0.826,468 0.032,469 35.5,470 1.365,471 16.5,472 0.635,473 19,474 0.731,475 21.033,476 0.809,477 29.267,478 0.65,479 26.59,480 1.023,481 6.597,482 0.254,483 5.835,484 0.224,485 0.129,486 0.069,487 0.313,493 0.726,494 1.774,495 0.781,496 1.432,497 0.731,498 1.031,499 0.865,500 0.904,501 0.964,502 0.929,503 0.532,504 0.814,505 1.234,506 1.202,507 1.025,508 0.963,509 1.118,510 0.938,511 0.988,512 1.005,513 1.014,514 0.957,515 1.083,516 1.015,517 0.849,518 1.19,519 0.776,520 0.939,521 0.885,522 0.968,523 0.687,524 0.818,525 0.844,526 0.841,527 0.588,528 0.939,529 0.904,530 1.38,531 1.444,532 1.636,533 0.839,534 1.392,535 1.141,536 1.049,537 1.19,538 1.276,539 1.523,540 1.284,541 6,542 0.025,543 3.556,544 1.688,545 1.628,546 1.351,547 1.012,548 0.49,549 0.324,550 0.216,551 7026,552 22470,553 2.092,554 42.2,556 13,558 2,559 2,561 2,564 1.7,565 1.938,566 3.047,567 0.441,569 1,573 83.413,574 1.854,575 3.639,576 4.508,577 4.631,578 4.631,579 4.631,580 2.44,581 4.21,582 4.67,583 3.203,584 1040.88,585 8.146,586 12561.4,588 1,591 247.133,592 1.619,593 4.616,594 0.207,595 0.004,596 0.083,597 0.039,598 0.039,599 0.034,600 0.024,601 0.013,602 0.012,603 0.017,604 0.471,605 0.5,606 0.88,607 0.777,608 123.618,609 -0.01,610 -0.452,611 0.214,612 -0.203,613 -0.148,614 -0.033,615 0.145,616 0.233,617 0.013,618 0.105,619 0.273,620 0.123,621 -0.245,622 -0.143,623 -0.082,624 0.036,625 -0.155,626 0.018,627 -0.098,628 0.082,629 -0.138,630 -0.022,631 -0.1,632 -0.078,633 -0.031,634 -0.18,635 0.074,636 -0.016,637 -0.08,638 0.014,639 0.142,640 0.298,641 0.04,642 0.103,643 0.111,644 -0.001,645 -0.106,646 -0.234,647 -0.291,648 -0.383,649 -0.021,650 -0.353,651 -0.002,652 -0.188,653 -0.152,654 -0.284,655 -0.087,656 -0.285,657 4.337,658 5.167,659 0.808,660 21.047,661 1.024,662 1.145,663 1.172,664 1.373,665 0.658,666 3.401,667 3.784,668 4.06,669 4.369,670 4.654,671 4.836,672 5.037,673 5.198,674 5.273,675 5.333,676 5.32,677 0.636,678 377.48,679 3.401,680 4.977,681 5.844,682 6.756,683 7.648,684 8.568,685 9.473,686 10.398,687 11.31,688 12.238,689 15.6,693 1,695 2,699 4,704 2,705 4,709 6,711 12,722 1,726 1,731 45,733 14,735 29,737 48,738 15,739 8,746 4,747 5,755 1,758 1,761 8,762 7,766 2,769 1,771 2,777 1,778 1,781 19,782 10,783 2,784 11,785 1,790 7,794 0.75,795 3,806 2,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 26,849 1,852 1,854 6,856 1,859 2,870 6.7,873 2,874 1,877 13.417,878 8.367,879 5.472,880 2.568,881 2.323,882 1.309,883 1.005,884 4.428,885 9.832,886 3.638,887 4.277,888 4.758,889 5.352,890 5.939,891 6.306,892 6.746,893 7.145,894 7.421,895 7.703,896 0.833,897 43,898 9.817,900 4.47,901 7.939,902 18.226,904 15.382,905 2.439,906 63.417,910 200.109,911 64.383,912 104.682,914 55.313,916 5.807,917 58.576,918 255.422,919 104.682,920 7.19,921 18.036,922 38.705,923 145.997,924 31.866,925 6.126,926 176.567,928 200.109,929 163.258,930 55.313,931 5.807,933 176.567,934 67.855,935 11,937 42.686,938 53.429,939 72.95,941 200.109,942 159.995,943 64.383,945 5.807,946 200.109,947 33.29,948 29.928,950 155.352,951 200.109,952 159.995,953 64.383,955 0.598,956 0.337,957 0.181,958 0.106,959 23,960 10,961 0.063,962 3,963 1,964 1.095,965 3.639,966 235.385,967 0.095,968 21,969 112.211,973 1,974 17.403,975 6.615,976 3.356,978 159.995,979 3.189,980 17.334,984 3.182,986 32.897,987 424.487,988 37,991 -3.42,993 24.334,999 46.073,1000 51.528,1001 0.338,1002 0.663,1003 0.821,1004 0.843,1005 0.843,1006 0.843,1007 4.92,1008 1.266,1009 5.883,1010 4.655,1011 4.466,1012 4.963,1013 1.324,1014 6.774,1015 4.328,1016 6.162,1017 1.055,1018 7.497,1019 3.176,1020 4.29,1021 5.112,1022 0.325,1023 7.991,1024 4.092,1025 7.526,1026 1,1027 9.224,1028 2.797,1029 6.18,1030 7.266,1031 0.958,1032 11.059,1033 5.921,1034 8.929,1035 1,1036 11.018,1037 2.275,1038 6.804,1039 8.198,1040 0.268,1041 13.074,1042 6.49,1043 10.369,1044 0.703,1045 12.856,1046 2.136,1047 8.232,1048 9.922,1049 0.736,1050 15.742,1051 7.86,1052 11.832,1053 -0.136,1054 14.725,1055 1.948,1056 9.189,1057 11.165,1058 0.188,1059 18.053,1060 8.763,1061 13.313,1062 -0.448,1063 16.614,1064 -0.318,1065 10.46,1066 12.743,1067 0.57,1068 20.607,1069 9.976,1070 3.448,1071 -0.724,1072 18.52,1073 -1.156,1074 11.56,1075 14.121,1076 0.125,1077 23.036,1078 11.022,1079 3.075,1080 12.599,1081 20.438,1082 -1.94,1083 12.782,1084 15.646,1085 0.439,1086 25.558,1087 12.186,1088 2.737,1089 10.684,1090 22.366,1091 4.568,1092 13.945,1093 17.086,1094 0.082,1095 28.038,1096 13.292,1097 2.517,1098 8.903,1099 24.303,1100 4.195,1101 15.156,1102 18.593,1103 0.334,1104 30.554,1105 14.445,1106 2.194,1107 7.933,1108 26.246,1109 3.571,1110 16.348,1111 20.063,1112 0.054,1113 33.057,1114 15.579,1115 1.829,1116 6.118,1117 28.194,1118 3.101,1119 17.559,1120 21.564,1121 0.252,1122 35.575,1123 16.732,1124 1.527,1125 4.776,1126 30.148,1127 2.879,1128 18.767,1129 23.051,1130 0.035,1131 38.09,1132 17.881,1133 6769,1134 12250,1135 19.186,1136 29.62,1137 44.513,1138 46.249,1139 45.376,1140 44.741,1141 44.701,1142 56.526,1143 4.12,1144 135.997,1145 41.521,1146 5.82,1147 6.387,1148 7.112,1149 5.495,1150 5.448,1151 7.568,1152 1.72,1153 20.504,1154 5.182,1155 12.818,1156 1.535,1157 1.595,1158 1.565,1159 1.543,1160 1.541,1161 1.949,1162 0.142,1163 4.69,1164 1.432,1165 4.101,1166 4.121,1167 4.726,1168 4.015,1169 7.716,1170 3.964,1171 3.879,1172 3.886,1173 3.962,1174 3.782,1175 6.999,1176 3.722,1177 3.771,1178 3.829,1179 3.71,1180 3.558,1181 5.239,1182 3.577,1183 3.636,1184 3.661,1185 3.582,1186 3.475,1187 4.95,1188 3.467,1189 3.266,1190 3.339,1191 3.156,1192 3.042,1193 4.611,1194 3.057,1195 3.111,1196 3.206,1197 2.944,1198 2.941,1199 4.558,1200 2.91,1201 3.04,1202 3.135,1203 2.866,1204 2.78,1205 4.106,1206 2.814,1207 2.756,1208 2.842,1209 2.589,1210 2.466,1211 3.962,1212 2.481,1213 0.166,1214 0.151,1215 0.252,1216 0.151,1217 0.119,1218 4.82,1219 0.158,1220 4.387,1221 0.03,1222 7.31,1223 0.434,1224 4.391,1225 0.112,1226 3.448,1227 4.568,1228 0.86,1229 12.599,1230 3.247,1231 1.887,1232 1.858,1233 1.959,1234 2.056,1235 1.205,1236 2.034,1237 1.74,1238 1.763,1239 1.881,1240 1.934,1241 1.149,1242 1.944,1243 1.691,1244 1.637,1245 1.737,1246 1.882,1247 1.051,1248 1.917,1249 1.546,1250 1.492,1251 1.638,1252 1.748,1253 0.825,1254 1.737,1255 1.289,1256 1.223,1257 1.513,1258 1.521,1259 0.818,1260 1.546,1261 1.153,1262 1.064,1263 1.503,1264 1.376,1265 0.575,1266 1.429,1267 0.946,1268 0.855,1269 1.223,1270 1.28,1271 0.276,1272 1.276,1273 0.829,1274 0.755,1275 1.1,1276 1.142,1277 0.02,1278 1.138,1279 4.078,1281 5.442,1282 2.398,1283 7,1284 4.727,1285 8.645,1286 6.88,1287 10.337,1289 1.185,1293 5.579,1295 3.335,1297 5.38,1300 3.319,1305 28.642,1306 83.413,1307 163.775,1308 202.869,1309 208.379,1310 208.379,1311 208.379,1312 47.942,1313 7.509,1314 127.43,1315 135.81,1316 23,1317 12.744,1318 3.907,1319 3.17,1320 37.602,1321 83,1322 90,1323 0.229,1324 178.197,1325 302.86,1326 426.561,1327 16268,1329 18.311,1330 0.704,1331 0.581,1332 18.561,1333 15.107,1334 12.432,1335 0.429,1336 0.347,1337 8.195,1338 10.953,1339 7.88,1340 6.431,1341 13.326,1342 10.073,1343 12.191,1344 0.284,1345 0.188,1346 13.559,1347 8.096,1348 9.672,1349 0.17,1350 0.098,1351 10.408,1352 5.57,1353 8.261,1354 0.106,1355 0.052,1356 8.936,1357 4.031,1358 6.909,1359 0.066,1360 0.026,1361 7.473,1362 2.744,1363 0.343,1364 88.637,1365 0.228,1366 24.35,1367 0.685,1368 144,1369 483.25,1370 198.519,1371 476.91,1372 647.7,1373 442,1374 172,1375 455.571,1376 235.371,1377 488.178,1378 715.98,1379 456,1380 7.854}
{0 CHEMBL1684985,1 1.572,2 8.821,3 3.321,4 11.028,5 107.478,6 7.663,7 0.563,8 4.025,9 4.139,10 3.632,11 3.545,12 5.112,13 3.547,14 4.573,15 4.743,16 3.995,17 3.947,18 5.619,19 3.93,20 4.8,21 5.007,22 4.034,23 4.078,24 5.77,25 4.028,26 4.796,27 5.017,28 4.017,29 4.08,30 5.776,31 4.022,32 4.818,33 5.031,34 4.061,35 4.115,36 5.827,37 4.055,38 4.837,39 5.049,40 4.061,41 4.134,42 5.783,43 4.077,44 4.88,45 5.081,46 4.015,47 4.163,48 5.859,49 4.075,50 4.966,51 5.214,52 3.824,53 4.133,54 5.831,55 3.994,56 0.04,57 0.767,58 9.672,59 4.189,60 8.308,61 5.375,62 0.303,63 1.265,64 19.169,65 6.896,66 22.737,67 9.045,68 0.363,69 1.501,70 25.813,71 8.739,72 30.02,73 12.123,74 0.354,75 1.542,76 25.561,77 8.535,78 32.83,79 12.118,80 0.389,81 1.556,82 25.932,83 8.974,84 39.592,85 12.825,86 0.302,87 1.594,88 26.217,89 8.971,90 24.028,91 12.608,92 0.438,93 1.582,94 27.355,95 10.279,96 34.879,97 14.133,98 0.339,99 1.574,100 32.51,101 12.489,102 39.201,103 17.354,104 2,105 45,106 0.264,107 0.614,108 0.768,109 0.833,110 0.833,111 0.833,112 3.376,113 0.891,114 -3.93,115 -3.88,116 -3.68,119 42.9,121 1,125 5,142 6,143 2,144 2,145 2,146 1,147 1,150 1,172 5,174 4,175 9,180 2,183 6,186 1,187 4,192 2,195 5,198 3,199 7,204 1,207 7,211 2,212 8,215 1,217 1,220 2,223 1,224 9,229 1,232 3,236 1,237 5,240 3,245 4,249 2,250 4,258 2,263 5,268 2,271 2,275 1138,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 23.846,283 11.727,284 20.156,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.667,291 34.918,292 5.627,293 16.83,294 4.043,295 1.96,296 1.041,297 0.653,298 0.653,299 0.653,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 55.839,311 296.886,314 101.464,318 1.204,319 22.69,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 247,332 4.596,333 3.48,334 6.904,335 4.243,336 3.289,337 4.275,338 0.86,339 11.621,340 3.146,341 4.143,342 3.089,343 6.334,344 3.804,345 2.852,346 3.675,347 0.8,348 9.617,349 2.724,350 3.973,351 2.927,352 6.101,353 3.67,354 2.744,355 3.475,356 0.8,357 8.913,358 2.524,359 3.775,360 2.62,361 5.609,362 3.395,363 2.425,364 3.089,366 7.324,367 2.346,368 3.478,369 2.297,370 5.068,371 3.061,372 2.106,373 2.812,375 5.971,376 2.005,377 3.037,378 2.239,379 4.64,380 2.731,381 1.829,382 2.217,384 4.679,385 1.644,386 2.966,387 1.801,388 4.503,389 2.59,390 1.64,391 2.025,393 4.475,394 1.553,395 2.808,396 1.64,397 4.115,398 2.309,399 1.367,400 1.943,402 3.447,403 1.285,404 2.602,405 1.415,406 3.722,407 2.181,408 1.252,409 1.648,411 2.886,412 1.163,413 2.5,414 1.256,415 3.491,416 2.08,417 1.121,418 1.5,420 2.56,421 1.067,422 2.336,423 1.201,424 3.481,425 1.984,426 1,427 1.324,428 2.511,429 0.983,430 2.212,431 1.133,432 3.419,433 1.952,434 1,435 1.168,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.921,442 1,443 1,445 2.136,446 0.915,447 1.848,448 0.8,449 3.247,450 1.583,451 0.636,452 0.754,454 1.774,455 0.6,456 1.016,457 -0.057,458 2.778,459 0.634,460 -0.316,461 -0.387,463 -0.804,464 -0.298,465 13.167,466 0.47,467 0.551,468 0.02,469 39.25,470 1.402,471 19.5,472 0.696,473 19.75,474 0.705,475 21.641,476 0.773,477 29.433,478 0.601,479 28.339,480 1.012,481 7.657,482 0.273,483 6.136,484 0.219,485 0.025,487 0.327,493 0.928,494 1.46,495 0.745,496 1.12,497 0.877,498 0.941,499 1.129,500 1.01,501 0.918,502 0.903,503 0.727,504 0.879,505 1.101,506 1.141,507 0.975,508 0.945,509 0.95,510 0.938,511 0.884,512 0.991,513 0.987,514 0.92,515 0.928,516 0.942,517 0.742,518 1.111,519 0.933,520 0.977,521 0.758,522 0.973,523 0.943,524 1.063,525 1.021,526 0.995,527 0.742,528 0.995,529 0.806,530 1.087,531 1.13,532 1.187,533 0.916,534 1.206,535 0.759,536 0.925,537 1.055,538 1.181,539 0.849,540 1.175,541 4,542 0.062,543 2.889,544 1.472,545 1.214,546 1.15,547 0.736,548 0.348,549 0.158,550 0.126,551 9305,552 23884,553 2.223,554 42.9,556 16,558 2,559 1,561 2,564 1.72,565 2.154,566 3.133,567 -0.323,568 1,569 1,573 77.034,574 1.572,575 3.655,576 4.573,577 4.962,578 4.962,579 4.962,580 2.445,581 4.379,582 4.777,583 3.286,584 1241.93,585 8.362,586 15880.2,588 1,590 1,591 275.121,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.027,599 0.024,600 0.016,601 0.008,602 0.005,603 0.005,604 0.311,605 0.5,606 0.88,607 0.343,608 136.88,609 -0.061,610 -0.303,611 0.071,612 -0.1,613 -0.055,614 -0.015,615 -0.057,616 0.112,617 -0.01,618 0.055,619 0.022,620 0.029,621 -0.111,622 -0.099,623 -0.025,624 0.02,625 -0.075,626 0.01,627 -0.067,628 0.094,629 -0.05,630 0.023,631 -0.106,632 -0.001,633 0.065,634 -0.047,635 -0.003,636 -0.012,637 0.034,638 -0.017,639 -0.12,640 0.017,641 -0.094,642 -0.04,643 -0.037,644 -0.05,645 0.074,646 -0.063,647 -0.206,648 -0.193,649 0.025,650 -0.236,651 0.03,652 -0.025,653 -0.075,654 -0.153,655 -0.005,656 -0.133,657 1.429,658 3.983,659 0.964,660 24.429,661 1.005,662 1.127,663 2.697,664 7.276,665 0.674,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.934,672 5.182,673 5.371,674 5.505,675 5.602,676 5.635,677 0.648,678 375.47,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.431,687 11.345,688 12.263,689 10.2,695 1,697 1,699 3,704 8,705 3,709 7,711 18,726 2,728 1,731 49,733 18,734 1,735 32,737 53,738 21,739 15,740 2,741 4,746 5,747 6,755 1,758 1,761 15,762 6,778 1,781 21,782 7,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,853 1,854 6,856 1,859 2,870 4.1,872 1,874 1,877 13,878 8.783,879 6.083,880 3.007,881 3.003,882 1.38,883 1.006,884 4.589,885 10.914,886 3.738,887 4.324,888 4.922,889 5.527,890 6.115,891 6.412,892 6.896,893 7.325,894 7.705,895 8.042,896 0.833,897 46,898 10.348,900 4.465,901 7.613,902 20.067,904 16.888,905 2.113,906 59.167,908 1,909 1,910 235.422,911 109.1,912 56.605,914 53.683,917 109.1,918 289.105,919 56.605,921 18.036,922 56.857,923 127.582,924 36.228,925 4.227,926 211.88,928 235.422,929 165.706,930 53.683,933 211.88,934 66.226,935 11,937 43.911,938 71.438,939 50.357,941 235.422,942 110.288,943 109.1,946 235.422,947 34.148,948 81.201,950 104.04,951 235.422,952 110.288,953 109.1,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.057,962 3,963 1,964 1.074,965 3.947,966 264.889,967 0.074,968 27,969 126.606,974 17.413,975 7.38,976 3.333,978 110.288,979 14.877,980 13.992,984 5.856,986 42.683,987 454.811,988 41,999 49.232,1000 55.232,1001 0.28,1002 0.651,1003 0.815,1004 0.884,1005 0.884,1006 0.884,1007 4.98,1008 1.367,1009 5.889,1010 4.475,1011 4.511,1012 5.011,1013 1.481,1014 6.725,1015 4.401,1016 6.163,1017 1.252,1018 7.452,1019 3.447,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.841,1025 7.459,1026 1.121,1027 9.121,1028 2.886,1029 6.111,1030 7.158,1031 1.104,1032 10.826,1033 5.902,1034 8.794,1035 1,1036 10.856,1037 2.56,1038 6.494,1039 7.677,1040 0.479,1041 12.643,1042 6.233,1043 10.165,1044 1,1045 12.635,1046 2.511,1047 8.025,1048 9.606,1049 0.854,1050 15.311,1051 7.722,1052 11.562,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.541,1058 0.346,1059 17.479,1060 8.47,1061 12.979,1062 0.636,1063 16.274,1064 2.136,1065 10.119,1066 12.218,1067 0.661,1068 19.984,1069 9.726,1070 3.289,1071 -0.316,1072 18.119,1073 1.774,1074 11.113,1075 13.377,1076 0.237,1077 22.302,1078 10.674,1079 2.852,1080 11.621,1081 19.977,1082 -0.804,1083 12.319,1084 14.932,1085 0.505,1086 24.756,1087 11.84,1088 2.744,1089 9.617,1090 21.845,1091 4.275,1092 13.406,1093 16.215,1094 0.158,1095 27.14,1096 12.882,1097 2.425,1098 8.913,1099 23.72,1100 3.675,1101 14.582,1102 17.71,1103 0.382,1104 29.58,1105 14.017,1106 2.106,1107 7.324,1108 25.602,1109 3.475,1110 15.713,1111 19.064,1112 0.104,1113 31.995,1114 15.105,1115 1.829,1116 5.971,1117 27.488,1118 3.089,1119 16.881,1120 20.529,1121 0.285,1122 34.435,1123 16.232,1124 1.64,1125 4.679,1126 29.38,1127 2.812,1128 18.035,1129 21.924,1130 0.068,1131 36.866,1132 17.344,1133 8602,1134 13896,1135 22.364,1136 33.029,1137 48.671,1138 48.843,1139 49.007,1140 48.583,1141 48.523,1142 61.808,1143 4.92,1144 140.097,1145 45.802,1146 5.596,1147 5.48,1148 6.706,1149 5.346,1150 5.289,1151 7.275,1152 1.72,1153 19.177,1154 5.146,1155 6.861,1156 1.521,1157 1.526,1158 1.531,1159 1.518,1160 1.516,1161 1.932,1162 0.154,1163 4.378,1164 1.431,1165 4.067,1166 4.108,1167 4.031,1168 3.954,1169 6.471,1170 3.966,1171 3.867,1172 3.902,1173 3.81,1174 3.77,1175 5,1176 3.776,1177 3.789,1178 3.839,1179 3.713,1180 3.629,1181 4.873,1182 3.643,1183 3.687,1184 3.736,1185 3.587,1186 3.511,1187 4.612,1188 3.522,1189 3.29,1190 3.36,1191 3.187,1192 3.076,1193 4.56,1194 3.092,1195 3.111,1196 3.206,1197 2.91,1198 2.941,1199 4.159,1200 2.91,1201 2.978,1202 3.018,1203 2.866,1204 2.787,1205 3.888,1206 2.809,1207 2.913,1208 2.964,1209 2.786,1210 2.745,1211 3.685,1212 2.745,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.596,1219 0.134,1220 3.48,1221 0.027,1222 6.904,1223 0.363,1224 4.243,1225 0.098,1226 3.289,1227 4.275,1228 0.86,1229 11.621,1230 3.146,1231 1.942,1232 1.919,1233 2.024,1234 2.063,1235 1.211,1236 2.047,1237 1.83,1238 1.79,1239 1.941,1240 1.969,1241 1.162,1242 1.965,1243 1.732,1244 1.681,1245 1.915,1246 1.941,1247 1.061,1248 1.937,1249 1.59,1250 1.547,1251 1.769,1252 1.754,1253 0.951,1254 1.755,1255 1.376,1256 1.3,1257 1.561,1258 1.613,1259 0.825,1260 1.613,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.678,1266 1.429,1267 0.886,1268 0.845,1269 1.181,1270 1.166,1271 0.274,1272 1.145,1273 0.883,1274 0.826,1275 1.143,1276 1.147,1277 0.218,1278 1.132,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.983,1295 4.589,1297 5.487,1300 4.383,1305 31.751,1306 77.034,1307 179.082,1308 224.101,1309 243.121,1310 243.121,1311 243.121,1312 35.242,1313 7.911,1314 74.61,1315 74.61,1316 29,1317 12.774,1318 4.248,1319 3.322,1320 37.222,1321 95,1322 93,1323 0.196,1324 190.86,1325 326.18,1326 457.458,1327 27438,1329 18.924,1330 0.676,1331 0.552,1332 18.924,1333 15.453,1334 13.793,1335 0.431,1336 0.297,1337 9.344,1338 13.192,1339 9.205,1340 7.521,1341 13.793,1342 9.5,1343 12.292,1344 0.273,1345 0.154,1346 12.292,1347 6.931,1348 10.787,1349 0.171,1350 0.083,1351 10.787,1352 5.202,1353 9.532,1354 0.108,1355 0.043,1356 9.532,1357 3.816,1358 8.051,1359 0.068,1360 0.022,1361 8.051,1362 2.601,1363 0.295,1364 86.763,1365 0.211,1366 26.048,1367 0.58,1368 154,1369 432.111,1370 169.862,1371 415.886,1372 583.27,1373 394,1374 185,1375 440.751,1376 201.919,1377 443.644,1378 657.61,1379 420,1380 8.066}
{0 CHEMBL1684986,1 1.603,2 9.179,3 1.584,4 2.509,5 107.095,6 7.843,7 0.563,8 4.017,9 4.147,10 3.643,11 3.492,12 5.124,13 3.51,14 4.563,15 4.749,16 4.005,17 3.892,18 5.637,19 3.889,20 4.756,21 4.97,22 4.037,23 4.022,24 5.737,25 3.986,26 4.763,27 4.99,28 4.004,29 4.024,30 5.761,31 3.977,32 4.782,33 5.008,34 4.045,35 4.04,36 5.768,37 3.994,38 4.768,39 4.986,40 4.049,41 4.048,42 5.761,43 4.006,44 4.801,45 5.01,46 3.98,47 4.088,48 5.743,49 4.012,50 4.917,51 5.171,52 3.869,53 4.033,54 5.85,55 3.921,56 0.062,57 0.822,58 9.202,59 3.559,60 8.728,61 4.86,62 0.419,63 1.284,64 18.872,65 6.111,66 28.38,67 8.324,68 0.409,69 1.48,70 24.079,71 7.459,72 26.861,73 10.913,74 0.419,75 1.503,76 24.187,77 7.347,78 35.453,79 10.927,80 0.406,81 1.513,82 24.852,83 7.767,84 32.725,85 11.71,86 0.465,87 1.524,88 23.942,89 7.6,90 28.78,91 10.965,92 0.345,93 1.525,94 24.299,95 8.79,96 23.185,97 12.542,98 0.384,99 1.511,100 30.444,101 10.202,102 42.546,103 15.108,104 2,105 45,106 0.27,107 0.622,108 0.782,109 0.829,110 0.829,111 0.829,112 3.376,113 0.87,114 -3.21,115 -3.2,116 -3.07,119 39.6,121 1,125 5,142 2,143 2,144 1,145 4,146 1,147 1,150 2,163 1,164 1,165 1,172 2,174 5,175 9,177 2,178 2,183 1,186 2,187 4,195 1,198 4,199 7,204 1,207 2,209 1,211 3,212 6,220 2,223 6,224 2,226 1,227 1,229 1,232 1,234 1,236 3,237 5,242 1,245 1,247 1,250 3,252 3,253 3,262 4,263 3,275 1152,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 24.852,283 11.691,284 20.264,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.661,291 36.255,292 5.608,293 16.981,294 3.982,295 1.894,296 0.948,297 0.667,298 0.667,299 0.667,300 4.092,303 1,304 1,305 1,306 574,307 2.121,310 56.463,311 298.924,314 102.792,318 1.276,319 22.854,321 1,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 61,331 257,332 4.594,333 3.479,334 6.903,335 4.24,336 3.288,337 4.271,338 0.86,339 11.616,340 3.14,341 4.131,342 3.088,343 6.328,344 3.788,345 2.845,346 3.656,347 0.8,348 9.59,349 2.692,350 3.966,351 2.901,352 6.099,353 3.659,354 2.735,355 3.471,356 0.8,357 8.901,358 2.511,359 3.78,360 2.539,361 5.584,362 3.366,363 2.424,364 3.096,366 7.207,367 2.294,368 3.533,369 2.297,370 5.055,371 3.097,372 2.159,373 2.886,375 6.034,376 2.01,377 3.059,378 2.24,379 4.704,380 2.733,381 1.832,382 2.247,384 4.707,385 1.647,386 2.968,387 1.808,388 4.515,389 2.619,390 1.665,391 2.025,393 4.624,394 1.584,395 2.79,396 1.64,397 4.127,398 2.299,399 1.359,400 1.917,402 3.462,403 1.276,404 2.5,405 1.389,406 3.726,407 2.14,408 1.232,409 1.5,411 2.877,412 1.114,413 2.5,414 1.256,415 3.491,416 1.957,417 1,418 1.5,420 2.511,421 0.954,422 2.338,423 1.144,424 3.436,425 1.952,426 1,427 1.327,428 2.275,429 0.946,430 2.214,431 1,432 3.414,433 1.925,434 1,435 1.169,436 2.136,437 0.919,438 2,439 1,440 3.247,441 1.917,442 1,443 1,445 2.136,446 0.916,447 1.868,448 0.88,449 3.247,450 1.622,451 0.679,452 0.787,454 1.87,455 0.638,456 1.185,457 -0.02,458 2.789,459 0.792,460 -0.13,461 -0.162,463 -0.303,464 -0.119,465 13.033,466 0.465,467 0.551,468 0.02,469 40.25,470 1.438,471 19.5,472 0.696,473 20.75,474 0.741,475 21.053,476 0.752,477 29.567,478 0.616,479 28.734,480 1.026,481 7.797,482 0.278,483 5.996,484 0.214,485 0.031,487 0.33,493 0.969,494 1.608,495 0.723,496 1.189,497 0.927,498 0.953,499 1.181,500 0.919,501 0.891,502 0.84,503 0.792,504 0.83,505 1.103,506 1.172,507 0.954,508 0.972,509 0.866,510 0.945,511 0.946,512 1.004,513 1.023,514 0.952,515 1.123,516 0.978,517 0.802,518 1.152,519 0.896,520 0.999,521 0.804,522 0.959,523 0.91,524 0.895,525 1.016,526 0.948,527 0.742,528 0.981,529 0.801,530 1.152,531 1.107,532 1.263,533 0.817,534 1.241,535 0.784,536 1.139,537 1.035,538 1.293,539 0.904,540 1.226,541 4,542 0.091,543 3.111,544 1.347,545 1.214,546 1.205,547 0.808,548 0.334,549 0.176,550 0.147,551 9405,552 24916,553 2.223,554 41.7,556 12,558 4,559 2,561 2,564 1.72,565 2.154,566 3.182,567 0.318,568 1,569 1,573 76.929,574 1.603,575 3.691,576 4.637,577 4.918,578 4.918,579 4.918,580 2.494,581 4.236,582 4.775,583 3.326,584 1257.17,585 8.357,586 16046.3,588 1,590 1,591 268.078,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.029,598 0.028,599 0.026,600 0.018,601 0.008,602 0.005,603 0.006,604 0.321,605 0.5,606 0.88,607 0.343,608 137.162,609 -0.092,610 -0.392,611 0.076,612 -0.156,613 -0.051,614 -0.032,615 -0.005,616 0.197,617 0.022,618 0.123,619 0.107,620 0.075,621 -0.107,622 -0.131,623 -0.016,624 0.011,625 -0.036,626 0.009,627 -0.092,628 0.066,629 -0.093,630 0.005,631 -0.189,632 -0.034,633 0.041,634 -0.115,635 0.04,636 -0.015,637 0.008,638 0.011,639 -0.008,640 0.192,641 -0.095,642 0.012,643 0.027,644 -0.045,645 -0.015,646 -0.108,647 -0.206,648 -0.236,649 -0.052,650 -0.251,651 0.065,652 -0.227,653 -0.045,654 -0.274,655 0.053,656 -0.194,657 1.417,658 1.983,659 0.964,660 25.071,661 1.009,662 1.139,663 1.978,664 3.911,665 0.668,666 3.497,667 3.829,668 4.159,669 4.477,670 4.779,671 4.934,672 5.176,673 5.371,674 5.497,675 5.613,676 5.715,677 0.647,678 376.47,679 3.497,680 5.043,681 5.916,682 6.808,683 7.703,684 8.607,685 9.514,686 10.426,687 11.339,688 12.256,689 16.7,693 1,695 1,697 1,699 5,704 6,705 5,709 7,711 18,722 1,726 2,731 48,733 18,735 32,737 52,738 19,739 13,746 5,747 6,755 1,758 1,761 13,762 6,778 1,781 20,782 9,783 2,784 9,790 8,794 0.8,795 1,805 1,806 2,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 6,856 1,859 2,870 2.1,874 1,877 13,878 8.65,879 6.083,880 2.885,881 2.994,882 1.379,883 1.031,884 4.51,885 10.905,886 3.738,887 4.324,888 4.922,889 5.518,890 6.115,891 6.414,892 6.892,893 7.331,894 7.696,895 8.063,896 0.714,897 46,898 10.308,900 4.419,901 7.613,902 19.899,904 16.575,905 2.113,906 59.167,910 211.88,911 91.189,912 123.073,914 11,917 91.189,918 222.88,919 123.073,921 18.036,922 51.85,923 142.012,924 54.323,925 6.126,926 164.795,928 211.88,929 214.263,930 11,933 188.338,934 23.542,935 11,937 63.905,938 66.43,939 83.928,941 211.88,942 134.073,943 91.189,946 211.88,947 36.047,948 61.391,950 127.825,951 211.88,952 134.073,953 91.189,955 0.578,956 0.342,957 0.193,958 0.113,959 24,960 9,961 0.058,962 3,963 1,964 1.074,965 3.963,966 263.95,967 0.074,968 27,969 126.606,974 17.292,975 7.304,976 3.291,978 134.073,979 11.062,980 22.38,984 5.677,986 32.897,987 437.143,988 41,999 48.443,1000 54.687,1001 0.287,1002 0.661,1003 0.83,1004 0.881,1005 0.881,1006 0.881,1007 4.98,1008 1.359,1009 5.889,1010 4.624,1011 4.511,1012 5.011,1013 1.481,1014 6.723,1015 4.383,1016 6.163,1017 1.232,1018 7.452,1019 3.462,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.832,1025 7.459,1026 1,1027 9.121,1028 2.877,1029 6.111,1030 7.158,1031 1.104,1032 10.818,1033 5.869,1034 8.794,1035 1,1036 10.855,1037 2.511,1038 6.494,1039 7.677,1040 0.479,1041 12.638,1042 6.212,1043 10.165,1044 1,1045 12.633,1046 2.275,1047 8.023,1048 9.604,1049 0.854,1050 15.301,1051 7.68,1052 11.561,1053 1,1054 14.441,1055 2.136,1056 8.817,1057 10.535,1058 0.346,1059 17.471,1060 8.438,1061 12.977,1062 0.679,1063 16.27,1064 2.136,1065 10.114,1066 12.212,1067 0.661,1068 19.975,1069 9.68,1070 3.288,1071 -0.13,1072 18.115,1073 1.87,1074 11.105,1075 13.367,1076 0.237,1077 22.293,1078 10.635,1079 2.845,1080 11.616,1081 19.973,1082 -0.303,1083 12.312,1084 14.921,1085 0.505,1086 24.747,1087 11.792,1088 2.735,1089 9.59,1090 21.84,1091 4.271,1092 13.397,1093 16.201,1094 0.158,1095 27.131,1096 12.839,1097 2.424,1098 8.901,1099 23.714,1100 3.656,1101 14.572,1102 17.695,1103 0.382,1104 29.571,1105 13.969,1106 2.159,1107 7.207,1108 25.596,1109 3.471,1110 15.702,1111 19.047,1112 0.104,1113 31.987,1114 15.059,1115 1.832,1116 6.034,1117 27.483,1118 3.096,1119 16.871,1120 20.512,1121 0.285,1122 34.426,1123 16.184,1124 1.665,1125 4.707,1126 29.374,1127 2.886,1128 18.024,1129 21.905,1130 0.068,1131 36.857,1132 17.296,1133 8694,1134 14284,1135 22.364,1136 32.069,1137 48.604,1138 48.771,1139 49.004,1140 48.469,1141 48.433,1142 61.703,1143 4.92,1144 139.893,1145 45.282,1146 5.594,1147 5.479,1148 6.705,1149 5.344,1150 5.288,1151 7.271,1152 1.72,1153 19.164,1154 5.079,1155 7.057,1156 1.519,1157 1.524,1158 1.531,1159 1.515,1160 1.514,1161 1.928,1162 0.154,1163 4.372,1164 1.415,1165 4.058,1166 4.105,1167 4.025,1168 3.92,1169 5.24,1170 3.94,1171 3.843,1172 3.892,1173 3.794,1174 3.715,1175 4.983,1176 3.727,1177 3.771,1178 3.832,1179 3.699,1180 3.561,1181 4.866,1182 3.587,1183 3.678,1184 3.734,1185 3.584,1186 3.5,1187 4.611,1188 3.513,1189 3.293,1190 3.367,1191 3.191,1192 3.062,1193 4.558,1194 3.086,1195 3.111,1196 3.206,1197 2.955,1198 2.941,1199 4.144,1200 2.91,1201 3.048,1202 3.139,1203 2.866,1204 2.8,1205 3.962,1206 2.83,1207 2.865,1208 2.94,1209 2.728,1210 2.714,1211 3.868,1212 2.71,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.594,1219 0.133,1220 3.479,1221 0.027,1222 6.903,1223 0.363,1224 4.24,1225 0.098,1226 3.288,1227 4.271,1228 0.86,1229 11.616,1230 3.14,1231 1.889,1232 1.852,1233 1.963,1234 2.058,1235 1.205,1236 2.031,1237 1.819,1238 1.778,1239 1.936,1240 1.966,1241 1.14,1242 1.96,1243 1.696,1244 1.638,1245 1.881,1246 1.933,1247 1.01,1248 1.917,1249 1.546,1250 1.493,1251 1.722,1252 1.75,1253 0.835,1254 1.737,1255 1.384,1256 1.31,1257 1.548,1258 1.616,1259 0.825,1260 1.618,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.601,1266 1.429,1267 0.957,1268 0.873,1269 1.227,1270 1.282,1271 0.28,1272 1.279,1273 0.903,1274 0.835,1275 1.135,1276 1.176,1277 0.156,1278 1.161,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.666,1286 6.862,1287 10.345,1293 5.67,1295 4.547,1297 5.483,1300 4.348,1305 31.047,1306 76.929,1307 177.184,1308 222.568,1309 236.078,1310 236.078,1311 236.078,1312 32.459,1313 7.911,1314 106.18,1315 106.18,1316 29,1317 12.768,1318 4.248,1319 3.322,1320 37.251,1321 96,1322 101,1323 0.194,1324 188.062,1325 315.79,1326 450.631,1327 27438,1329 18.924,1330 0.676,1331 0.547,1332 18.924,1333 15.323,1334 13.793,1335 0.431,1336 0.29,1337 9.102,1338 13.092,1339 8.981,1340 7.342,1341 13.793,1342 9.285,1343 12.28,1344 0.273,1345 0.149,1346 12.28,1347 6.717,1348 10.871,1349 0.173,1350 0.08,1351 10.871,1352 5.011,1353 9.376,1354 0.108,1355 0.042,1356 9.376,1357 3.612,1358 8.076,1359 0.068,1360 0.021,1361 8.076,1362 2.472,1363 0.292,1364 87.383,1365 0.211,1366 26.113,1367 0.57,1368 154,1369 448.564,1370 172.393,1371 432.567,1372 608.41,1373 410,1374 185,1375 463.496,1376 204.615,1377 466.248,1378 690.04,1379 440,1380 7.481}
{0 CHEMBL1684987,1 1.572,2 8.821,3 3.321,4 11.028,5 107.478,6 7.663,7 0.563,8 4.025,9 4.139,10 3.632,11 3.545,12 5.112,13 3.547,14 4.573,15 4.743,16 3.995,17 3.947,18 5.617,19 3.93,20 4.8,21 5.007,22 4.038,23 4.077,24 5.775,25 4.026,26 4.797,27 5.02,28 4.018,29 4.067,30 5.779,31 4.013,32 4.809,33 5.022,34 4.063,35 4.096,36 5.835,37 4.043,38 4.813,39 5.017,40 4.056,41 4.129,42 5.759,43 4.075,44 4.887,45 5.089,46 4.02,47 4.169,48 5.871,49 4.079,50 4.971,51 5.22,52 3.824,53 4.126,54 5.828,55 3.987,56 0.04,57 0.767,58 9.672,59 4.189,60 8.308,61 5.375,62 0.303,63 1.265,64 19.169,65 6.896,66 22.403,67 9.045,68 0.376,69 1.504,70 25.809,71 8.807,72 30.293,73 12.19,74 0.336,75 1.541,76 25.7,77 8.359,78 33.23,79 11.987,80 0.436,81 1.554,82 25.79,83 8.535,84 41.949,85 12.236,86 0.261,87 1.562,88 25.223,89 8.798,90 20.882,91 12.297,92 0.474,93 1.596,94 27.579,95 10.519,96 36.239,97 14.393,98 0.284,99 1.573,100 32.744,101 12.484,102 38.172,103 17.498,104 2,105 45,106 0.264,107 0.614,108 0.782,109 0.861,110 0.861,111 0.861,112 3.376,113 0.891,114 -3.93,115 -3.88,116 -3.68,119 42.9,121 1,125 5,142 6,143 2,144 2,145 2,146 1,147 1,150 1,172 6,174 4,175 7,180 2,183 5,186 2,187 6,192 2,195 5,198 2,199 6,204 1,207 5,211 3,212 11,215 1,217 1,220 4,224 5,229 1,232 2,236 3,237 8,240 3,245 3,250 5,258 3,263 3,268 1,271 2,275 1138,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 23.846,283 11.727,284 20.148,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.667,291 34.918,292 5.627,293 16.825,294 4.043,295 1.96,296 0.96,297 0.49,298 0.49,299 0.49,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 55.839,311 296.886,314 101.464,318 1.204,319 22.973,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 247,332 4.596,333 3.48,334 6.904,335 4.243,336 3.289,337 4.275,338 0.86,339 11.621,340 3.146,341 4.143,342 3.089,343 6.334,344 3.803,345 2.852,346 3.675,347 0.8,348 9.617,349 2.721,350 3.973,351 2.927,352 6.101,353 3.67,354 2.744,355 3.475,356 0.8,357 8.913,358 2.524,359 3.775,360 2.62,361 5.609,362 3.393,363 2.425,364 3.089,366 7.324,367 2.342,368 3.478,369 2.297,370 5.068,371 3.061,372 2.106,373 2.812,375 5.971,376 2.004,377 3.037,378 2.239,379 4.64,380 2.731,381 1.829,382 2.217,384 4.679,385 1.645,386 2.966,387 1.801,388 4.503,389 2.598,390 1.64,391 2.025,393 4.475,394 1.566,395 2.808,396 1.64,397 4.115,398 2.318,399 1.367,400 1.943,402 3.447,403 1.298,404 2.602,405 1.415,406 3.722,407 2.181,408 1.252,409 1.648,411 2.886,412 1.163,413 2.5,414 1.256,415 3.491,416 2.086,417 1.121,418 1.5,420 2.56,421 1.075,422 2.336,423 1.201,424 3.481,425 1.957,426 1,427 1.324,428 2.511,429 0.954,430 2.212,431 1.133,432 3.419,433 1.952,434 1,435 1.168,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.924,442 1,443 1,445 2.136,446 0.918,447 1.848,448 0.8,449 3.247,450 1.585,451 0.636,452 0.754,454 1.774,455 0.602,456 1.016,457 -0.057,458 2.778,459 0.633,460 -0.316,461 -0.387,463 -0.804,464 -0.298,465 13.167,466 0.47,467 0.551,468 0.02,469 39.25,470 1.402,471 19.5,472 0.696,473 19.75,474 0.705,475 21.624,476 0.772,477 29.433,478 0.601,479 28.357,480 1.013,481 7.656,482 0.273,483 6.137,484 0.219,485 0.025,487 0.327,493 0.928,494 1.46,495 0.745,496 1.12,497 0.877,498 0.941,499 1.129,500 1.01,501 0.918,502 0.903,503 0.732,504 0.879,505 1.067,506 1.125,507 0.969,508 0.954,509 0.939,510 0.947,511 0.92,512 1.06,513 0.973,514 0.922,515 0.95,516 0.93,517 0.805,518 1.053,519 0.951,520 0.921,521 0.799,522 0.937,523 0.956,524 1.115,525 1.026,526 1.024,527 0.743,528 1.013,529 0.747,530 1.027,531 1.128,532 1.191,533 0.89,534 1.218,535 0.768,536 1.037,537 1.028,538 1.211,539 0.843,540 1.176,541 4,542 0.062,543 2.889,544 1.472,545 1.214,546 1.15,547 0.736,548 0.348,549 0.158,550 0.126,551 9305,552 23724,553 2.223,554 42.9,556 16,558 2,559 1,561 2,564 1.72,565 2.154,566 3.133,567 -0.323,568 1,569 1,573 77.034,574 1.572,575 3.655,576 4.655,577 5.125,578 5.125,579 5.125,580 2.445,581 4.379,582 4.777,583 3.286,584 1241.93,585 8.362,586 15880.2,588 1,590 1,591 275.121,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.027,599 0.024,600 0.016,601 0.008,602 0.005,603 0.005,604 0.311,605 0.5,606 0.88,607 0.343,608 136.88,609 -0.061,610 -0.303,611 0.071,612 -0.1,613 -0.055,614 -0.015,615 -0.057,616 0.112,617 -0.01,618 0.055,619 0.017,620 0.029,621 -0.076,622 -0.083,623 -0.019,624 0.01,625 -0.063,626 0.001,627 -0.09,628 0.024,629 -0.03,630 0.015,631 -0.109,632 0.009,633 0.056,634 0.033,635 -0.014,636 0.023,637 0.028,639 -0.146,640 -0.03,641 -0.111,642 -0.061,643 -0.05,644 -0.067,645 0.129,646 -0.003,647 -0.204,648 -0.195,649 0.047,650 -0.247,651 0.01,652 -0.148,653 -0.045,654 -0.181,656 -0.13,657 1.431,658 3.982,659 0.964,660 24.429,661 1.005,662 1.127,663 2.697,664 7.276,665 0.674,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.934,672 5.182,673 5.371,674 5.505,675 5.602,676 5.635,677 0.648,678 375.47,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.431,687 11.345,688 12.263,689 10.2,695 1,697 1,699 3,704 8,705 3,709 7,711 18,726 2,728 1,731 49,733 18,734 1,735 32,737 53,738 21,739 15,740 2,741 4,746 5,747 6,755 1,758 1,761 15,762 6,778 1,781 21,782 7,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,853 1,854 6,856 1,859 2,870 4.1,872 1,874 1,877 13,878 8.783,879 6.083,880 3.007,881 3.003,882 1.38,883 1.006,884 4.589,885 10.914,886 3.738,887 4.324,888 4.922,889 5.527,890 6.115,891 6.412,892 6.896,893 7.325,894 7.705,895 8.042,896 0.833,897 46,898 10.349,900 4.468,901 7.613,902 20.067,904 16.888,905 2.113,906 59.167,908 1,909 1,910 235.422,911 109.1,912 56.605,914 53.683,917 109.1,918 289.105,919 56.605,921 18.036,922 56.857,923 127.582,924 36.228,925 4.227,926 211.88,928 235.422,929 165.706,930 53.683,933 211.88,934 66.226,935 11,937 43.911,938 71.438,939 50.357,941 235.422,942 110.288,943 109.1,946 235.422,947 34.148,948 81.201,950 104.04,951 235.422,952 110.288,953 109.1,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.057,962 3,963 1,964 1.074,965 3.947,966 264.889,967 0.074,968 27,969 130.606,974 17.413,975 7.38,976 3.333,978 110.288,979 14.894,980 14.113,984 5.773,986 42.683,987 454.811,988 41,999 49.232,1000 55.232,1001 0.28,1002 0.651,1003 0.829,1004 0.913,1005 0.913,1006 0.913,1007 4.98,1008 1.367,1009 5.889,1010 4.475,1011 4.511,1012 5.011,1013 1.481,1014 6.725,1015 4.401,1016 6.163,1017 1.252,1018 7.452,1019 3.447,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.841,1025 7.459,1026 1.121,1027 9.121,1028 2.886,1029 6.111,1030 7.158,1031 1.104,1032 10.826,1033 5.901,1034 8.794,1035 1,1036 10.856,1037 2.56,1038 6.494,1039 7.677,1040 0.479,1041 12.643,1042 6.231,1043 10.165,1044 1,1045 12.635,1046 2.511,1047 8.025,1048 9.606,1049 0.854,1050 15.311,1051 7.72,1052 11.562,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.541,1058 0.346,1059 17.479,1060 8.467,1061 12.979,1062 0.636,1063 16.274,1064 2.136,1065 10.119,1066 12.218,1067 0.661,1068 19.984,1069 9.723,1070 3.289,1071 -0.316,1072 18.119,1073 1.774,1074 11.113,1075 13.377,1076 0.237,1077 22.302,1078 10.671,1079 2.852,1080 11.621,1081 19.977,1082 -0.804,1083 12.319,1084 14.932,1085 0.505,1086 24.756,1087 11.836,1088 2.744,1089 9.617,1090 21.845,1091 4.275,1092 13.406,1093 16.215,1094 0.158,1095 27.14,1096 12.879,1097 2.425,1098 8.913,1099 23.72,1100 3.675,1101 14.582,1102 17.71,1103 0.382,1104 29.58,1105 14.013,1106 2.106,1107 7.324,1108 25.602,1109 3.475,1110 15.713,1111 19.064,1112 0.104,1113 31.995,1114 15.101,1115 1.829,1116 5.971,1117 27.488,1118 3.089,1119 16.881,1120 20.529,1121 0.285,1122 34.435,1123 16.229,1124 1.64,1125 4.679,1126 29.38,1127 2.812,1128 18.035,1129 21.924,1130 0.068,1131 36.866,1132 17.34,1133 8602,1134 13852,1135 22.364,1136 33.029,1137 48.671,1138 48.843,1139 49.007,1140 48.58,1141 48.523,1142 61.808,1143 4.92,1144 140.097,1145 45.805,1146 5.596,1147 5.48,1148 6.706,1149 5.346,1150 5.289,1151 7.275,1152 1.72,1153 19.177,1154 5.146,1155 6.861,1156 1.521,1157 1.526,1158 1.531,1159 1.518,1160 1.516,1161 1.932,1162 0.154,1163 4.378,1164 1.431,1165 4.066,1166 4.108,1167 4.031,1168 3.953,1169 6.471,1170 3.966,1171 3.866,1172 3.901,1173 3.81,1174 3.768,1175 5.001,1176 3.774,1177 3.789,1178 3.839,1179 3.713,1180 3.632,1181 4.869,1182 3.645,1183 3.689,1184 3.738,1185 3.588,1186 3.513,1187 4.612,1188 3.524,1189 3.292,1190 3.362,1191 3.189,1192 3.082,1193 4.559,1194 3.097,1195 3.111,1196 3.206,1197 2.913,1198 2.941,1199 4.144,1200 2.91,1201 2.984,1202 3.027,1203 2.866,1204 2.804,1205 3.888,1206 2.821,1207 2.918,1208 2.967,1209 2.79,1210 2.746,1211 3.805,1212 2.747,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.596,1219 0.134,1220 3.48,1221 0.027,1222 6.904,1223 0.363,1224 4.243,1225 0.098,1226 3.289,1227 4.275,1228 0.86,1229 11.621,1230 3.146,1231 1.942,1232 1.918,1233 2.023,1234 2.063,1235 1.211,1236 2.047,1237 1.829,1238 1.788,1239 1.941,1240 1.969,1241 1.161,1242 1.965,1243 1.732,1244 1.682,1245 1.916,1246 1.941,1247 1.058,1248 1.937,1249 1.59,1250 1.547,1251 1.77,1252 1.754,1253 0.949,1254 1.755,1255 1.386,1256 1.312,1257 1.57,1258 1.616,1259 0.825,1260 1.619,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.692,1266 1.429,1267 0.921,1268 0.866,1269 1.148,1270 1.176,1271 0.281,1272 1.161,1273 0.883,1274 0.84,1275 1.136,1276 1.147,1277 0.226,1278 1.132,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.982,1295 4.561,1297 5.486,1300 4.357,1305 31.751,1306 77.034,1307 179.082,1308 228.101,1309 251.121,1310 251.121,1311 251.121,1312 35.452,1313 7.911,1314 74.61,1315 74.61,1316 29,1317 12.774,1318 4.248,1319 3.322,1320 37.222,1321 95,1322 93,1323 0.196,1324 190.86,1325 326.18,1326 457.458,1327 27438,1329 18.924,1330 0.676,1331 0.552,1332 18.924,1333 15.453,1334 13.793,1335 0.431,1336 0.297,1337 9.344,1338 13.196,1339 9.205,1340 7.523,1341 13.793,1342 9.5,1343 12.292,1344 0.273,1345 0.154,1346 12.292,1347 6.937,1348 10.787,1349 0.171,1350 0.082,1351 10.787,1352 5.186,1353 9.532,1354 0.108,1355 0.043,1356 9.532,1357 3.805,1358 8.051,1359 0.068,1360 0.022,1361 8.051,1362 2.596,1363 0.295,1364 86.763,1365 0.211,1366 26.048,1367 0.58,1368 154,1369 432.111,1370 169.862,1371 416.017,1372 583.31,1373 394,1374 185,1375 440.751,1376 202.113,1377 443.94,1378 658.07,1379 420,1380 7.387}
{0 CHEMBL1684988,1 1.583,2 9.613,3 3.987,4 15.896,5 118.546,6 7.821,7 0.611,8 4.117,9 4.232,10 3.743,11 3.641,12 5.205,13 3.648,14 4.667,15 4.832,16 4.13,17 4.063,18 5.723,19 4.052,20 4.889,21 5.092,22 4.15,23 4.185,24 5.871,25 4.138,26 4.894,27 5.112,28 4.121,29 4.18,30 5.88,31 4.124,32 4.897,33 5.114,34 4.141,35 4.185,36 5.889,37 4.127,38 4.896,39 5.099,40 4.184,41 4.225,42 5.851,43 4.18,44 4.987,45 5.181,46 4.174,47 4.29,48 5.978,49 4.213,50 5.085,51 5.333,52 3.99,53 4.26,54 5.948,55 4.132,56 0.059,57 0.853,58 10.175,59 4.409,60 8.602,61 5.563,62 0.34,63 1.418,64 20.208,65 7.513,66 23.102,67 9.661,68 0.394,69 1.667,70 27.446,71 9.541,72 31.56,73 12.999,74 0.393,75 1.714,76 27.55,77 9.328,78 36.141,79 13.043,80 0.449,81 1.689,82 27.884,83 9.701,84 41.515,85 13.717,86 0.327,87 1.728,88 26.782,89 9.376,90 22.817,91 12.872,92 0.491,93 1.811,94 29.292,95 11.171,96 37.062,97 15.111,98 0.401,99 1.811,100 36.344,101 13.798,102 43.271,103 19.196,104 2,105 52,106 0.259,107 0.634,108 0.786,109 0.864,110 0.864,111 0.864,112 3.473,113 0.875,114 -4.35,115 -4.28,116 -4.04,119 43.4,121 1,125 5,142 7,143 2,144 2,146 2,147 1,150 1,152 1,160 1,172 6,174 4,175 8,178 1,180 3,183 6,186 1,187 6,192 4,195 6,198 3,199 8,204 1,207 7,211 2,212 9,215 2,217 1,220 4,223 1,224 9,229 1,232 3,236 1,237 7,240 4,242 2,245 5,249 2,250 4,258 4,263 5,266 2,268 3,271 3,275 1592,276 21.67,277 21.67,278 21.67,279 21.67,280 21.67,281 19.17,282 23.846,283 12.723,284 22.313,285 17.839,286 17.839,287 17.839,288 17.839,289 17.839,290 13.978,291 34.918,292 6.088,293 18.9,294 4.145,295 1.852,296 0.928,297 0.453,298 0.453,299 0.453,300 4.199,304 1,305 1,306 678,307 2.345,310 127.521,311 309.834,314 223.153,318 1.457,319 25.474,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 67,331 298,332 4.604,333 3.484,334 6.906,335 4.248,336 3.294,337 4.383,338 0.86,339 11.63,340 3.151,341 4.424,342 3.105,343 6.37,344 3.935,345 2.971,346 4.258,347 0.8,348 9.776,349 2.866,350 4.085,351 2.969,352 6.138,353 3.705,354 2.749,355 3.635,356 0.8,357 9.014,358 2.632,359 3.93,360 2.828,361 6.101,362 3.663,363 2.742,364 3.262,366 8.912,367 2.509,368 3.702,369 2.573,370 5.578,371 3.318,372 2.359,373 3.043,375 7.214,376 2.257,377 3.393,378 2.297,379 5.058,380 2.978,381 2.017,382 2.715,384 5.925,385 1.932,386 3.034,387 2.159,388 4.63,389 2.727,390 1.824,391 2.301,393 4.678,394 1.641,395 2.981,396 1.675,397 4.501,398 2.499,399 1.534,400 2.054,402 4.421,403 1.478,404 2.887,405 1.589,406 4.369,407 2.444,408 1.484,409 2.019,411 4.163,412 1.419,413 2.643,414 1.534,415 4.047,416 2.185,417 1.271,418 1.706,420 3.159,421 1.165,422 2.581,423 1.277,424 3.722,425 2.17,426 1.196,427 1.619,428 2.834,429 1.156,430 2.355,431 1.256,432 3.481,433 2.017,434 1.092,435 1.338,436 2.553,437 1.005,438 2.248,439 1.199,440 3.441,441 1.952,442 1,443 1.207,445 2.362,446 0.946,447 2,448 1.059,449 3.422,450 1.925,451 1,452 1,454 2.136,455 0.919,456 1.945,457 0.822,458 3.247,459 1.631,460 0.68,461 0.822,463 1.848,464 0.645,465 14.567,466 0.47,467 0.671,468 0.022,469 43.75,470 1.411,471 21.5,472 0.694,473 22.25,474 0.718,475 24.848,476 0.802,477 32.233,478 0.608,479 32.578,480 1.051,481 8.475,482 0.273,483 6.784,484 0.219,485 0.023,487 0.364,493 0.961,494 1.422,495 0.732,496 1.069,497 0.891,498 0.897,499 1.077,500 0.997,501 0.881,502 0.892,503 0.703,504 0.861,505 1.085,506 1.15,507 0.976,508 0.965,509 0.94,510 0.953,511 0.9,512 1.022,513 1.011,514 0.954,515 0.955,516 0.975,517 0.732,518 1.057,519 0.917,520 0.955,521 0.765,522 0.954,523 0.961,524 1.062,525 0.996,526 0.973,527 0.741,528 0.966,529 0.817,530 1.1,531 1.139,532 1.198,533 0.924,534 1.217,535 0.762,536 0.938,537 1.033,538 1.155,539 0.85,540 1.147,541 5,542 0.117,543 3.556,544 1.667,545 1.471,546 1.267,547 0.816,548 0.398,549 0.296,550 0.223,551 12966,552 32730,553 2.258,554 41.5,556 17,558 1,559 2,561 2,564 1.745,565 2.188,566 3.265,567 0.225,569 1,573 83.921,574 1.583,575 3.875,576 4.8,577 5.275,578 5.275,579 5.275,580 2.677,581 4.607,582 4.924,583 3.437,584 1598.41,585 8.65,586 21901.7,588 1,590 1,591 303.58,592 1.123,593 4.916,594 0.139,595 0.005,596 0.068,597 0.032,598 0.029,599 0.025,600 0.015,601 0.008,602 0.007,603 0.007,604 0.335,605 0.33,606 0.88,607 0.32,608 157.323,609 -0.086,610 -0.267,611 0.067,612 -0.071,613 -0.073,614 0.005,615 -0.031,616 0.122,617 0.008,618 0.064,619 0.039,620 0.039,621 -0.116,622 -0.114,623 -0.034,624 0.005,625 -0.065,626 -0.003,627 -0.082,628 0.051,629 -0.076,630 -0.009,631 -0.122,632 -0.032,633 0.084,634 -0.013,635 0.024,636 0.01,637 0.035,638 0.008,639 -0.132,640 0.021,641 -0.082,642 -0.016,643 -0.035,644 -0.028,645 0.063,646 -0.066,647 -0.225,648 -0.21,649 0.011,650 -0.257,651 0.028,652 -0.038,653 -0.039,654 -0.125,655 -0.007,656 -0.097,657 1.434,658 4.06,659 0.968,660 28.947,661 1.006,662 1.127,663 3.121,664 9.739,665 0.68,666 3.611,667 3.97,668 4.317,669 4.654,670 4.927,671 5.118,672 5.375,673 5.591,674 5.743,675 5.905,676 6.146,677 0.656,678 414.51,679 3.611,680 5.176,681 6.061,682 6.965,683 7.867,684 8.78,685 9.691,686 10.608,687 11.525,688 12.446,689 11.3,695 1,697 2,699 3,703 2,704 8,705 3,706 1,709 7,711 22,726 2,728 1,731 53,733 22,734 2,735 36,737 58,738 23,739 17,740 5,741 7,746 6,747 8,755 1,758 1,761 17,762 6,778 1,781 22,782 7,783 2,784 8,787 1,790 6,794 0.667,795 2,806 1,811 2,812 4,815 2,839 1,840 4,848 31,853 1,854 6,856 1,859 2,870 3.8,872 1,874 1,877 14.167,878 9.533,879 6.611,880 3.254,881 3.967,882 1.466,883 1.042,884 4.604,885 12.473,886 3.871,887 4.514,888 5.161,889 5.801,890 6.365,891 6.75,892 7.245,893 7.707,894 8.039,895 8.477,896 1,897 52,898 11.462,900 5.031,901 7.597,902 22.249,904 19.06,905 2.097,906 65,908 1,909 1,910 235.422,911 113.389,912 73.391,914 53.683,917 113.389,918 289.105,919 73.391,921 18.036,922 66.334,923 124.43,924 37.063,925 6.371,926 223.651,928 235.422,929 186.779,930 53.683,933 211.88,934 66.226,935 11,937 53.365,938 83.058,939 50.357,941 235.422,942 127.074,943 113.389,946 235.422,947 38.436,948 81.201,949 16.786,950 104.04,951 235.422,952 127.074,953 113.389,955 0.586,956 0.35,957 0.2,958 0.109,959 29,960 11,961 0.052,962 3,963 2,964 1.133,965 4.226,966 312.457,967 0.133,968 30,969 149.58,974 18.756,975 7.609,976 3.351,977 1.946,978 110.288,979 15.242,980 14.367,981 3.147,984 5.801,986 59.469,987 475.885,988 47,999 53.334,1000 59.73,1001 0.276,1002 0.677,1003 0.838,1004 0.921,1005 0.921,1006 0.921,1007 5.127,1008 1.534,1009 6.047,1010 4.678,1011 4.654,1012 5.201,1013 1.481,1014 6.899,1015 4.547,1016 6.334,1017 1.484,1018 7.622,1019 4.421,1020 4.205,1021 4.997,1022 0.57,1023 7.847,1024 4.05,1025 7.649,1026 1.271,1027 9.299,1028 4.163,1029 6.279,1030 7.438,1031 1.104,1032 10.998,1033 6.078,1034 9.003,1035 1.196,1036 11.037,1037 3.159,1038 6.698,1039 8.101,1040 0.479,1041 12.802,1042 6.45,1043 10.393,1044 1.092,1045 12.815,1046 2.834,1047 8.204,1048 9.984,1049 0.854,1050 15.456,1051 7.916,1052 11.806,1053 1,1054 14.621,1055 2.553,1056 9.019,1057 11.051,1058 0.346,1059 17.607,1060 8.684,1061 13.237,1062 1,1063 16.447,1064 2.362,1065 10.302,1066 12.701,1067 0.661,1068 20.099,1069 9.928,1070 3.294,1071 0.68,1072 18.287,1073 2.136,1074 11.3,1075 13.966,1076 0.237,1077 22.401,1078 10.881,1079 2.971,1080 11.63,1081 20.139,1082 1.848,1083 12.496,1084 15.511,1085 0.505,1086 24.844,1087 12.038,1088 2.749,1089 9.776,1090 21.999,1091 4.383,1092 13.58,1093 16.876,1094 0.158,1095 27.215,1096 13.078,1097 2.742,1098 9.014,1099 23.867,1100 4.258,1101 14.747,1102 18.374,1103 0.382,1104 29.647,1105 14.205,1106 2.359,1107 8.912,1108 25.741,1109 3.635,1110 15.873,1111 19.788,1112 0.104,1113 32.053,1114 15.288,1115 2.017,1116 7.214,1117 27.621,1118 3.262,1119 17.034,1120 21.267,1121 0.285,1122 34.486,1123 16.408,1124 1.824,1125 5.925,1126 29.505,1127 3.043,1128 18.18,1129 22.705,1130 0.068,1131 36.911,1132 17.512,1133 11684,1134 18699,1135 25.255,1136 36.034,1137 55.428,1138 55.457,1139 55.649,1140 55.229,1141 55.196,1142 71.819,1143 4.92,1144 163.187,1145 52.166,1146 5.604,1147 5.484,1148 6.708,1149 5.352,1150 5.294,1151 7.383,1152 1.72,1153 19.199,1154 5.151,1155 7.378,1156 1.54,1157 1.54,1158 1.546,1159 1.534,1160 1.533,1161 1.995,1162 0.137,1163 4.533,1164 1.449,1165 4.127,1166 4.171,1167 4.091,1168 4.007,1169 6.471,1170 4.022,1171 4.003,1172 4.043,1173 3.968,1174 3.899,1175 5.092,1176 3.909,1177 3.815,1178 3.853,1179 3.752,1180 3.687,1181 4.965,1182 3.699,1183 3.73,1184 3.785,1185 3.62,1186 3.523,1187 4.612,1188 3.538,1189 3.392,1190 3.452,1191 3.324,1192 3.203,1193 4.566,1194 3.226,1195 3.241,1196 3.313,1197 3.117,1198 3.045,1199 4.361,1200 3.054,1201 3.111,1202 3.206,1203 2.897,1204 2.941,1205 4.045,1206 2.91,1207 2.973,1208 3.013,1209 2.866,1210 2.797,1211 3.886,1212 2.81,1213 0.128,1214 0.097,1215 0.192,1216 0.118,1217 0.092,1218 4.604,1219 0.122,1220 3.484,1221 0.024,1222 6.906,1223 0.323,1224 4.248,1225 0.088,1226 3.294,1227 4.383,1228 0.86,1229 11.63,1230 3.151,1231 1.948,1232 1.923,1233 2.025,1234 2.068,1235 1.211,1236 2.052,1237 1.913,1238 1.886,1239 1.999,1240 2.014,1241 1.169,1242 2.011,1243 1.735,1244 1.685,1245 1.917,1246 1.942,1247 1.137,1248 1.939,1249 1.591,1250 1.547,1251 1.772,1252 1.756,1253 1.009,1254 1.755,1255 1.432,1256 1.357,1257 1.596,1258 1.695,1259 0.825,1260 1.676,1261 1.336,1262 1.257,1263 1.513,1264 1.596,1265 0.736,1266 1.584,1267 1.153,1268 1.064,1269 1.505,1270 1.376,1271 0.448,1272 1.429,1273 0.951,1274 0.899,1275 1.143,1276 1.188,1277 0.277,1278 1.166,1279 4.29,1281 5.638,1282 3.045,1283 7.186,1284 5.352,1285 8.825,1286 7.424,1287 10.513,1294 10.06,1295 4.512,1297 5.518,1300 4.408,1305 34.772,1306 83.921,1307 205.399,1308 254.419,1309 279.58,1310 279.58,1311 279.58,1312 38.289,1313 8.506,1314 90.4,1315 90.4,1316 34,1317 12.955,1318 4.524,1319 3.585,1320 39.182,1321 112,1322 109,1323 0.168,1324 206.518,1325 345.88,1326 495.664,1327 58622,1329 20.786,1330 0.671,1331 0.547,1332 20.786,1333 16.953,1334 15.259,1335 0.424,1336 0.292,1337 10.326,1338 14.601,1339 10.181,1340 8.305,1341 15.259,1342 10.498,1343 13.918,1344 0.268,1345 0.151,1346 13.918,1347 7.83,1348 12.468,1349 0.168,1350 0.08,1351 12.468,1352 5.945,1353 11.097,1354 0.107,1355 0.042,1356 11.097,1357 4.38,1358 9.13,1359 0.067,1360 0.022,1361 9.13,1362 2.963,1363 0.256,1364 95.969,1365 0.199,1366 28.468,1367 0.491,1368 176,1369 482.444,1370 193.971,1371 466.417,1372 660.31,1373 442,1374 214,1375 507.075,1376 233.278,1377 510.744,1378 760.45,1379 484,1380 7.114}
{0 CHEMBL1688215,1 1.541,2 7.059,3 0.931,4 0.868,5 65.852,6 8.38,7 0.842,8 3.459,9 3.606,10 3.118,11 2.97,12 4.732,13 2.993,14 3.871,15 4.029,16 3.476,17 3.342,18 5.138,19 3.344,20 4.026,21 4.219,22 3.424,23 3.389,24 5.226,25 3.368,26 4.027,27 4.245,28 3.206,29 3.298,30 5.136,31 3.232,32 3.913,33 4.165,34 2.993,35 3.107,36 4.976,37 3.019,38 3.724,39 3.992,40 2.858,41 2.846,42 4.79,43 2.788,44 3.441,45 3.699,46 2.653,47 2.537,48 4.658,49 2.504,50 3.184,51 3.456,52 2.26,53 2.176,54 4.369,55 2.132,56 0.097,57 0.487,58 4.632,59 1.712,60 11.333,61 2.138,62 0.152,63 0.719,64 7.357,65 3.128,66 15.277,67 4.051,68 0.18,69 0.773,70 9.613,71 3.324,72 19.027,73 4.444,74 0.167,75 0.71,76 10.375,77 3.579,78 18.555,79 4.954,80 0.168,81 0.588,82 10.54,83 3.529,84 20.305,85 5.133,86 0.157,87 0.478,88 9.198,89 2.659,90 18.166,91 4.037,92 0.162,93 0.368,94 6.54,95 1.733,96 17.611,97 2.592,98 0.137,99 0.267,100 5.16,101 1.153,102 12.805,103 1.775,104 5,105 27,106 0.296,107 0.662,108 0.799,109 0.884,110 0.884,111 0.884,112 2.909,113 0.8,114 -2.49,115 -2.52,116 -2.46,119 40.7,142 4,143 2,145 1,146 2,150 1,153 1,163 2,164 2,165 2,168 1,172 4,174 1,175 5,177 2,178 2,179 1,180 2,182 1,183 5,185 1,187 4,189 1,190 1,192 3,195 4,197 1,199 3,204 6,207 1,209 4,211 1,212 4,217 3,220 1,222 3,224 1,227 1,229 2,234 1,236 1,237 1,239 2,240 2,242 2,247 2,253 1,254 1,257 1,265 1,266 1,267 1,270 2,274 1,275 278,276 11.516,277 11.516,278 11.516,279 11.516,280 11.516,281 9.621,282 6.325,283 6.702,284 11.775,285 9.376,286 9.376,287 9.376,288 9.376,289 9.376,290 6.585,291 5,292 3.183,293 9.786,294 3.214,295 1.304,296 0.593,297 0.148,298 0.148,299 0.148,300 3.586,304 1,305 1,306 262,307 1.732,310 33.872,311 83.904,314 58.501,318 1.128,319 13.249,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 37,331 120,332 4.553,333 3.116,334 6.509,335 4.074,336 3.096,337 4.507,339 10.178,340 3.029,341 4.18,342 2.819,343 6.128,344 3.756,345 2.793,346 3.813,348 9.004,349 2.694,350 3.644,351 2.333,352 5.093,353 3.179,354 2.25,355 3.088,357 6.162,358 2.085,359 3.214,360 1.875,361 4.893,362 2.744,363 1.797,364 2.509,366 5.282,367 1.699,368 2.988,369 1.523,370 4.213,371 2.485,372 1.509,373 2.214,375 3.863,376 1.47,377 2.751,378 1.321,379 4.101,380 2.258,381 1.29,382 1.864,384 3.392,385 1.246,386 2.552,387 1.064,388 3.472,389 1.999,390 1.059,391 1.577,393 2.508,394 0.993,395 2.089,396 0.656,397 3.207,398 1.607,399 0.624,400 0.903,402 1.472,403 0.612,404 1.008,405 -0.24,406 2.627,407 0.6,408 -0.358,409 -0.465,411 -0.825,412 -0.34,413 0.875,414 -0.32,415 2.21,416 0.479,417 -0.453,418 -0.565,420 -1.086,421 -0.424,422 0.758,423 -0.616,424 2,425 0.291,426 -0.666,427 -0.904,428 -1.86,429 -0.633,430 0.561,431 -0.913,432 2,433 0.045,434 -0.922,435 -1.359,436 -2.564,437 -0.891,438 0.168,439 -1.14,440 1.789,441 -0.26,442 -1.207,443 -1.674,445 -3.232,446 -1.146,447 -0.071,448 -1.277,449 1.496,450 -0.451,451 -1.372,452 -1.848,454 -3.408,455 -1.255,456 -0.274,457 -1.67,458 1.288,459 -0.718,460 -1.693,461 -2.298,463 -5.008,464 -1.649,465 7.9,466 0.465,467 0.435,468 0.026,469 26.5,470 1.559,471 15,472 0.882,473 11.5,474 0.676,475 8.526,476 0.502,477 17.3,478 0.641,479 16.047,480 0.944,481 5.331,482 0.314,483 2.906,484 0.171,485 0.101,487 0.38,493 1.131,494 1.044,495 0.756,496 0.735,497 1.35,498 0.681,499 0.592,500 1.001,501 0.68,502 0.957,503 0.505,504 0.859,505 1.128,506 1.094,507 1.026,508 1.013,509 0.908,510 1.002,511 1.1,512 1.179,513 1.205,514 1.249,515 1.012,516 1.249,517 0.808,518 1.025,519 1.01,520 1.141,521 0.905,522 1.121,523 0.908,524 1.073,525 0.863,526 0.983,527 0.946,528 0.927,529 0.976,530 0.953,531 0.997,532 0.979,533 0.915,534 0.99,535 1.336,536 1.013,537 1.263,538 1.045,539 1.429,540 1.122,541 3.5,543 2.222,544 1.229,545 0.711,546 0.424,547 0.273,548 0.159,549 0.093,550 0.016,551 2390,552 7254,553 2.127,554 37,556 4,558 1,559 5,564 1.569,565 2,566 2.868,567 3.117,571 1,573 41.599,574 1.541,575 3.45,576 4.162,577 4.607,578 4.607,579 4.607,580 2.307,581 3.735,582 4.063,583 2.945,584 400.557,585 6.862,586 3520.23,588 1,591 128.382,592 1.379,593 4.023,594 0.184,596 0.082,597 0.049,598 0.037,599 0.028,600 0.021,601 0.016,602 0.015,603 0.008,604 0.441,605 0.5,606 1,607 0.604,608 69.411,609 -0.208,610 0.131,611 -0.015,612 0.202,613 -0.401,614 0.145,615 0.241,616 0.116,617 0.1,618 0.027,619 0.209,620 0.034,621 -0.223,622 -0.042,623 -0.174,624 -0.053,625 -0.085,626 -0.094,627 -0.243,628 -0.209,629 -0.291,630 -0.262,631 -0.193,632 -0.282,633 0.027,634 -0.147,635 0.004,636 -0.115,637 -0.017,638 -0.071,639 0.056,640 -0.215,641 0.207,642 0.002,643 0.023,644 0.111,645 0.187,646 -0.027,647 0.05,648 -0.086,649 0.213,650 -0.053,651 -0.041,652 -0.102,653 -0.179,654 -0.207,655 -0.137,656 -0.219,657 1.413,658 1.725,659 0.882,660 9.668,661 1.014,662 1.141,663 1.262,664 1.593,665 0.687,666 2.996,667 3.332,668 3.611,669 3.871,670 4.043,671 4.078,672 4.22,673 4.263,674 4.19,675 4.078,676 4.317,677 0.673,678 226.27,679 2.996,680 4.533,681 5.389,682 6.271,683 7.143,684 8.028,685 8.906,686 9.793,687 10.674,688 11.561,689 22.2,693 2,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,722 2,731 27,733 16,734 1,735 19,737 29,738 11,739 11,740 3,741 3,746 3,747 4,761 11,778 1,781 10,782 5,783 5,784 6,790 6,794 0.667,803 1,806 1,811 1,812 2,815 1,840 2,848 17,849 2,877 8.5,878 4.683,879 3.667,880 1.372,881 3.146,882 1.489,883 1.069,884 2.196,885 9.582,886 3.332,887 4.021,888 4.681,889 5.318,890 5.849,891 6.186,892 6.685,893 7.104,894 7.314,895 7.597,896 0.8,897 25,898 6.176,900 2.629,901 7.824,902 11.548,904 9.365,905 2.324,906 39.5,907 0.001,910 58.856,911 61.839,912 132.691,917 61.839,918 58.856,919 132.691,922 103.699,923 62.005,924 38.698,925 1.899,926 47.084,928 58.856,929 194.53,933 58.856,937 34.838,938 109.458,939 50.234,941 58.856,942 132.691,943 61.839,946 58.856,947 14.886,948 46.952,949 16.663,950 116.028,951 58.856,952 132.691,953 61.839,955 0.589,956 0.345,957 0.185,958 0.096,959 15,960 6,961 0.034,962 1,963 1,964 1.133,965 2.977,966 122.438,967 0.133,968 15,969 69.487,974 10.052,975 3.714,976 1.704,977 1.702,978 116.028,979 9.163,980 12.113,981 2.737,984 2.511,986 82.457,987 253.386,988 27,999 27.378,1000 30.82,1001 0.324,1002 0.726,1003 0.875,1004 0.969,1005 0.969,1006 0.969,1007 4.543,1008 0.624,1009 5.38,1010 2.508,1011 4.007,1012 4.705,1014 6.192,1015 3.93,1016 5.784,1017 -0.358,1018 6.94,1019 1.472,1020 3.611,1021 4.559,1023 7.081,1024 3.498,1025 7.107,1026 -0.453,1027 8.599,1028 -0.825,1029 5.602,1030 7.019,1032 10.172,1033 5.464,1034 8.469,1035 -0.666,1036 10.314,1037 -1.086,1038 6.019,1039 7.72,1041 11.892,1042 5.855,1043 9.863,1044 -0.922,1045 12.067,1046 -1.86,1047 7.489,1048 9.63,1050 14.482,1051 7.304,1052 11.279,1053 -1.207,1054 13.845,1055 -2.564,1056 8.281,1057 10.74,1059 16.54,1060 8.076,1061 12.714,1062 -1.372,1063 15.641,1064 -3.232,1065 9.537,1066 12.412,1068 18.948,1069 9.31,1070 3.096,1071 -1.693,1072 17.452,1073 -3.408,1074 10.502,1075 13.722,1077 21.146,1078 10.257,1079 2.793,1080 10.178,1081 19.272,1082 -5.008,1083 11.669,1084 15.29,1086 23.487,1087 11.404,1088 2.25,1089 9.004,1090 21.101,1091 4.507,1092 12.714,1093 16.697,1095 25.744,1096 12.429,1097 1.797,1098 6.162,1099 22.936,1100 3.813,1101 13.846,1102 18.222,1104 28.061,1105 13.542,1106 1.509,1107 5.282,1108 24.776,1109 3.088,1110 14.928,1111 19.676,1113 30.344,1114 14.604,1115 1.29,1116 3.863,1117 26.62,1118 2.509,1119 16.048,1120 21.184,1122 32.653,1123 15.704,1124 1.059,1125 3.392,1126 28.467,1127 2.214,1128 17.147,1129 22.661,1131 34.95,1132 16.784,1133 2328,1134 4142,1135 12.83,1136 18.557,1137 29.205,1138 28.741,1139 29.76,1140 28.881,1141 28.836,1142 40.951,1144 83.72,1145 27.657,1146 5.188,1147 5.116,1148 6.061,1149 5.145,1150 5.096,1151 7.507,1153 16.885,1154 5.029,1155 6.834,1156 1.537,1157 1.513,1158 1.566,1159 1.52,1160 1.518,1161 2.155,1163 4.406,1164 1.456,1165 4.111,1166 4.152,1167 4.081,1168 4.009,1169 5.263,1170 4.021,1171 3.812,1172 3.872,1173 3.776,1174 3.635,1175 5.209,1176 3.662,1177 3.376,1178 3.451,1179 3.298,1180 3.167,1181 4.762,1182 3.192,1183 3.022,1184 3.131,1185 2.875,1186 2.802,1187 4.597,1188 2.805,1189 2.95,1190 3.044,1191 2.825,1192 2.738,1193 4.295,1194 2.755,1195 2.729,1196 2.838,1197 2.595,1198 2.445,1199 3.884,1200 2.47,1201 2.519,1202 2.633,1203 2.322,1204 2.118,1205 3.601,1206 2.151,1207 2.265,1208 2.387,1209 2.124,1210 2,1211 3.432,1212 2.023,1213 0.24,1214 0.164,1215 0.343,1216 0.214,1217 0.163,1218 4.553,1219 0.237,1220 3.116,1222 6.509,1223 0.536,1224 4.074,1225 0.159,1226 3.096,1227 4.507,1229 10.178,1230 3.029,1231 1.965,1232 1.943,1233 2.035,1234 2.052,1235 1.169,1236 2.047,1237 1.677,1238 1.63,1239 1.772,1240 1.857,1241 0.763,1242 1.837,1243 1.382,1244 1.295,1245 1.528,1246 1.737,1247 0.413,1248 1.684,1249 0.997,1250 0.928,1251 1.257,1252 1.314,1253 0.186,1254 1.311,1255 0.921,1256 0.834,1257 1.165,1258 1.2,1260 1.195,1261 0.754,1262 0.679,1263 0.981,1264 0.965,1266 0.983,1267 0.462,1268 0.291,1269 0.894,1270 0.886,1272 0.901,1273 0.291,1274 0.193,1275 0.62,1276 0.593,1278 0.596,1279 3.664,1281 4.99,1282 2.398,1283 6.515,1284 4.727,1285 8.125,1286 6.804,1287 9.78,1293 11.274,1305 18.182,1306 41.599,1307 93.163,1308 112.382,1309 124.382,1310 124.382,1311 124.382,1312 16.906,1313 6.436,1314 106.5,1315 106.5,1316 17,1317 12.093,1318 4.087,1319 3.17,1320 23.76,1321 44,1322 37,1323 0.277,1324 114.38,1325 176.6,1326 270.847,1327 4411,1329 11.828,1330 0.696,1331 0.523,1332 11.828,1333 8.883,1334 8.237,1335 0.434,1336 0.267,1337 4.983,1338 7.897,1339 4.902,1340 4.073,1341 8.237,1342 5.064,1343 7.584,1344 0.281,1345 0.136,1346 7.584,1347 3.669,1348 6.449,1349 0.179,1350 0.071,1351 6.449,1352 2.555,1353 5.433,1354 0.116,1355 0.037,1356 5.433,1357 1.726,1358 4.187,1359 0.075,1360 0.019,1361 4.187,1362 1.082,1363 0.418,1364 51.771,1365 0.279,1366 16.895,1367 0.806,1368 92,1369 265.893,1370 101.492,1371 267.972,1372 376.04,1373 250,1374 109,1375 293.423,1376 118.27,1377 298.452,1378 433.35,1379 281,1380 5}
{0 CHEMBL1721885,1 1.672,2 13.219,3 1.477,4 2.182,5 119.219,6 7.501,7 0.314,8 4.185,9 4.306,10 3.74,11 3.66,12 5.304,13 3.661,14 4.749,15 4.924,16 4.121,17 4.065,18 5.87,19 4.049,20 4.994,21 5.19,22 4.166,23 4.207,24 6.128,25 4.159,26 5.082,27 5.314,28 4.121,29 4.214,30 6.167,31 4.135,32 5.078,33 5.306,34 4.098,35 4.128,36 6.304,37 4.069,38 5.032,39 5.27,40 4.038,41 4.095,42 6.228,43 4.026,44 4.95,45 5.189,46 4.002,47 4.053,48 6.049,49 3.982,50 4.921,51 5.134,52 3.934,53 3.971,54 6.219,55 3.912,56 0.129,57 0.935,58 12.267,59 5.279,60 17.348,61 6.821,62 0.457,63 1.484,64 24.332,65 8.676,66 43.105,67 11.737,68 0.745,69 1.768,70 32.893,71 11.091,72 76.178,73 14.938,74 0.645,75 1.804,76 36.882,77 12.412,78 78.284,79 17.496,80 0.989,81 1.7,82 38.43,83 11.551,84 138.129,85 16.051,86 0.998,87 1.624,88 36.999,89 11.059,90 136.547,91 15.668,92 0.68,93 1.529,94 33.085,95 10.501,96 72.144,97 15.142,98 0.893,99 1.494,100 32.436,101 9.999,102 129.414,103 13.339,104 37,105 50,106 0.272,107 0.637,108 0.797,109 0.866,110 0.866,111 0.866,112 3.502,113 0.91,114 -2.31,115 -2.34,116 -2.31,119 39,120 2,125 6,127 1,135 1,136 1,142 3,143 3,144 2,152 2,158 2,172 6,175 2,178 2,180 8,183 7,186 1,187 3,190 1,191 1,192 6,195 8,199 4,202 2,203 1,204 3,207 7,212 3,215 2,216 1,217 4,220 5,223 1,224 4,227 1,229 5,232 4,237 3,240 1,241 1,242 5,245 4,249 1,250 3,253 3,254 1,255 2,258 3,262 1,263 3,268 2,271 1,275 1848,276 21.223,277 21.223,278 21.223,279 21.223,280 21.223,281 19.391,282 27.43,283 12.368,284 21.716,285 17.25,286 17.25,287 17.25,288 17.25,289 17.25,290 14.312,291 32.432,292 5.9,293 18.022,294 4.211,295 1.97,296 0.988,297 0.568,298 0.568,299 0.568,300 4.192,304 1,305 1,306 916,307 3.873,310 171.946,311 218.907,314 145.076,318 2.219,319 48.49,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 71.5,331 423,332 4.619,333 3.668,334 6.845,335 4.246,336 3.256,337 4.332,338 1.058,339 11.258,340 3.22,341 4.49,342 3.636,343 6.721,344 4.136,345 3.146,346 4.111,347 1.058,348 10.906,349 3.113,350 3.83,351 3.004,352 5.706,353 3.555,354 2.629,355 3.258,356 0.86,357 7.539,358 2.437,359 3.66,360 2.972,361 5.487,362 3.399,363 2.421,364 2.903,365 0.8,366 7.378,367 2.358,368 3.587,369 2.95,370 5.451,371 3.262,372 2.293,373 2.626,375 6.677,376 2.216,377 3.323,378 2.546,379 4.967,380 3.048,381 2.109,382 2.56,384 5.747,385 1.966,386 3.196,387 2.495,388 4.912,389 2.883,390 1.917,391 2.351,393 5.55,394 1.826,395 3.087,396 2.204,397 4.775,398 2.782,399 1.804,400 2.149,402 5.012,403 1.753,404 3.032,405 2.075,406 4.706,407 2.634,408 1.639,409 2.111,411 4.753,412 1.619,413 2.707,414 1.951,415 4.375,416 2.331,417 1.429,418 1.732,420 3.768,421 1.306,422 2.419,423 1.554,424 3.644,425 2.242,426 1.311,427 1.412,428 3.007,429 1.188,430 2.357,431 1.256,432 3.577,433 1.952,434 1,435 1.179,436 2.188,437 0.946,438 2,439 1.19,440 3.247,441 1.799,442 0.819,443 1,445 2.136,446 0.799,447 1.625,448 0.939,449 3.146,450 1.438,451 0.483,452 0.519,454 1.121,455 0.457,456 1.511,457 0.82,458 2.92,459 1.085,460 0.113,461 0.149,463 0.285,464 0.108,465 14.719,466 0.46,467 0.929,468 0.029,469 36.25,470 1.133,471 15,472 0.469,473 21.25,474 0.664,475 31.146,476 0.973,477 36.281,478 0.615,479 30.786,480 0.962,481 7.488,482 0.234,483 7.842,484 0.245,485 0.155,487 0.401,491 1,493 0.768,494 1.261,495 0.784,496 1.135,497 0.625,498 0.986,499 0.859,500 1.071,501 0.836,502 0.962,503 0.593,504 0.899,505 1.034,506 1.034,507 1.058,508 1.015,509 0.954,510 1.035,511 0.774,512 1.001,513 0.944,514 1.111,515 0.819,516 1.074,517 1.077,518 0.887,519 0.994,520 0.936,521 1.208,522 0.949,523 0.972,524 0.899,525 0.956,526 0.883,527 1.028,528 0.906,529 0.772,530 0.885,531 0.855,532 0.976,533 0.761,534 0.943,535 1.213,536 1.039,537 1.15,538 1.063,539 1.377,540 1.096,541 7,542 0.18,543 3.778,544 3.431,545 1.814,546 1.022,547 0.88,548 0.638,549 0.43,550 0.274,551 15023,552 43244,553 2.045,554 45.8,555 3,556 17,559 4,560 3,564 1.743,565 1.882,566 3.644,567 1.601,569 1,573 98.652,574 1.672,575 3.913,576 4.895,577 5.315,578 5.315,579 5.315,580 3.082,581 4.813,582 4.969,583 3.863,584 1916.02,585 8.683,586 28585.6,588 1,591 347.076,592 1.505,593 4.914,594 0.2,595 0.007,596 0.076,597 0.069,598 0.039,599 0.023,600 0.021,601 0.016,602 0.012,603 0.009,604 0.471,605 0.17,606 1,607 0.609,608 169.78,609 -0.086,610 -0.109,611 0.026,612 -0.008,613 -0.065,614 0.031,615 -0.043,616 -0.023,617 0.057,618 0.075,619 0.03,620 0.088,621 -0.095,622 0.002,623 -0.12,624 -0.003,625 -0.069,626 -0.057,627 -0.002,628 -0.071,629 -0.005,630 -0.119,631 0.003,632 -0.071,633 -0.029,634 -0.008,635 0.006,636 0.017,637 -0.032,638 0.015,639 0.022,640 0.023,641 0.041,642 0.076,643 0.027,644 0.068,645 0.049,646 -0.01,647 0.105,648 -0.002,649 0.031,650 0.053,651 -0.06,652 -0.081,653 -0.145,654 -0.1,655 -0.054,656 -0.145,657 2.096,658 5.816,659 0.625,660 36,661 1.014,662 1.138,663 1.078,664 1.163,665 0.643,666 3.584,667 3.932,668 4.205,669 4.489,670 4.644,671 4.663,672 4.82,673 4.934,674 4.942,675 5.011,676 7.755,677 0.621,678 442.54,679 3.584,680 5.142,681 5.999,682 6.891,683 7.767,684 8.663,685 9.55,686 10.449,687 11.342,688 12.245,689 6.8,692 1,696 2,697 1,704 3,706 1,709 7,711 11,718 1,730 1,731 59,733 14,734 1,735 35,737 62,738 23,739 10,740 3,741 3,742 4,746 4,747 5,752 2,758 1,761 14,762 9,766 3,771 2,773 1,775 3,778 1,779 1,781 27,782 8,783 4,784 9,790 4,794 0.75,795 4,797 1,807 1,811 2,812 2,815 1,826 1,831 1,832 1,836 1,838 1,839 1,840 3,844 2,846 1,848 32,853 1,854 6,855 2,856 1,858 1,859 1,869 1,870 6.8,871 1,873 2,874 1,877 17,878 10.96,879 6.944,880 3.472,881 2.828,882 1.362,883 0.959,884 6.767,885 10.638,886 3.795,887 4.366,888 4.917,889 5.478,890 5.914,891 6.203,892 6.615,893 7.018,894 7.292,895 7.613,896 0.889,897 50,898 11.977,900 5.266,901 8,902 22.41,904 18.613,905 2.5,906 80,910 270.735,911 112.706,912 55.931,914 103.973,915 14.96,917 112.706,918 374.708,919 70.891,920 17.65,921 53.629,922 80.588,923 70.699,924 44.53,925 20.474,926 270.735,928 270.735,929 168.637,930 118.933,933 285.695,934 50.29,935 53.683,937 91.189,938 67.972,939 9.476,941 285.695,942 159.904,943 112.706,946 270.735,947 57.15,948 58.68,949 52.807,950 118.933,951 270.735,952 174.865,953 112.706,955 0.59,956 0.345,957 0.19,958 0.1,959 24,960 12,961 0.097,962 6,963 1,964 1.1,965 4.303,966 289.601,967 0.1,968 20,969 156,974 22.679,975 9.549,976 4.968,978 158.079,979 4.132,981 3.144,984 2.994,986 95.49,987 558.306,988 43.5,993 25.206,995 1.632,997 -0.296,999 59.832,1000 67.153,1001 0.284,1002 0.665,1003 0.832,1004 0.903,1005 0.903,1006 0.903,1007 5.067,1008 1.804,1009 6.004,1010 5.55,1011 4.615,1012 5.053,1013 2.069,1014 6.838,1015 4.542,1016 6.273,1017 1.639,1018 7.581,1019 5.012,1020 4.29,1021 4.966,1022 0.325,1023 7.781,1024 4.213,1025 7.589,1026 1.429,1027 9.258,1028 4.753,1029 6.232,1030 7.206,1031 2.025,1032 10.91,1033 6.115,1034 8.94,1035 1.311,1036 10.992,1037 3.768,1038 6.711,1039 7.948,1040 0.268,1041 12.717,1042 6.605,1043 10.326,1044 1,1045 12.766,1046 3.007,1047 8.156,1048 9.709,1049 2.041,1050 15.374,1051 8.018,1052 11.738,1053 0.819,1054 14.568,1055 2.188,1056 9.009,1057 10.833,1058 0.188,1059 17.545,1060 8.884,1061 13.171,1062 0.483,1063 16.392,1064 2.136,1065 10.268,1066 12.41,1067 2.087,1068 20.041,1069 10.122,1070 3.256,1071 0.113,1072 18.234,1073 1.121,1074 11.294,1075 13.711,1076 0.125,1077 22.358,1078 11.155,1079 3.146,1080 11.258,1081 20.09,1082 0.285,1083 12.485,1084 15.212,1085 2.152,1086 24.797,1087 12.332,1088 2.629,1089 10.906,1090 21.957,1091 4.332,1092 13.588,1093 16.593,1094 0.082,1095 27.17,1096 13.436,1097 2.421,1098 7.539,1099 23.834,1100 4.111,1101 14.757,1102 18.064,1103 2.229,1104 29.589,1105 14.595,1106 2.293,1107 7.378,1108 25.719,1109 3.258,1110 15.894,1111 19.481,1112 0.054,1113 31.984,1114 15.728,1115 2.109,1116 6.677,1117 27.609,1118 2.903,1119 17.057,1120 20.94,1121 2.315,1122 34.397,1123 16.883,1124 1.917,1125 5.747,1126 29.505,1127 2.626,1128 18.209,1129 22.374,1130 0.035,1131 36.8,1132 18.029,1133 14279,1134 24393,1135 22.887,1136 37.915,1137 53.6,1138 55.464,1139 55.242,1140 52.785,1141 52.738,1142 64.783,1143 7.553,1144 154.651,1145 50.627,1146 5.619,1147 5.668,1148 6.647,1149 5.349,1150 5.256,1151 7.332,1152 2.117,1153 18.421,1154 5.22,1155 18.061,1156 1.531,1157 1.585,1158 1.578,1159 1.508,1160 1.507,1161 1.851,1162 0.216,1163 4.419,1164 1.446,1165 4.086,1166 4.116,1167 4.051,1168 3.991,1169 8.201,1170 4.002,1171 3.94,1172 3.971,1173 3.904,1174 3.84,1175 7.431,1176 3.85,1177 3.828,1178 3.888,1179 3.711,1180 3.614,1181 7.427,1182 3.629,1183 3.59,1184 3.647,1185 3.481,1186 3.377,1187 6.449,1188 3.392,1189 3.465,1190 3.49,1191 3.409,1192 3.317,1193 4.819,1194 3.329,1195 3.241,1196 3.3,1197 3.157,1198 3.024,1199 4.647,1200 3.008,1201 3.202,1202 3.284,1203 2.989,1204 2.947,1205 4.623,1206 2.985,1207 3.111,1208 3.206,1209 2.879,1210 2.941,1211 4.083,1212 2.91,1213 0.132,1214 0.105,1215 0.196,1216 0.121,1217 0.093,1218 4.619,1219 0.124,1220 3.668,1221 0.03,1222 6.845,1223 0.322,1224 4.246,1225 0.092,1226 3.256,1227 4.332,1228 1.058,1229 11.258,1230 3.22,1231 1.891,1232 1.872,1233 1.97,1234 2.002,1235 1.274,1236 1.995,1237 1.766,1238 1.718,1239 1.966,1240 1.97,1241 1.114,1242 1.97,1243 1.708,1244 1.672,1245 1.852,1246 1.871,1247 1.06,1248 1.861,1249 1.644,1250 1.598,1251 1.794,1252 1.835,1253 0.983,1254 1.823,1255 1.5,1256 1.443,1257 1.75,1258 1.723,1259 0.873,1260 1.734,1261 1.346,1262 1.302,1263 1.545,1264 1.582,1265 0.825,1266 1.56,1267 1.153,1268 1.064,1269 1.513,1270 1.418,1271 0.612,1272 1.429,1273 1.094,1274 1.024,1275 1.382,1276 1.376,1277 0.551,1278 1.409,1279 4.263,1281 5.602,1282 3.045,1283 7.119,1284 5.533,1285 8.718,1286 7.703,1287 10.363,1289 3.56,1291 13.696,1294 10.286,1295 3.421,1296 5.511,1297 5.301,1299 -0.688,1300 2.102,1305 36.65,1306 98.652,1307 230.856,1308 288.811,1309 313.566,1310 313.566,1311 313.566,1312 82.082,1313 7.81,1314 110.45,1315 110.45,1316 22,1317 12.767,1318 3.907,1319 3.248,1320 52.053,1321 148,1322 158,1323 0.169,1324 222.762,1325 399.33,1326 535.299,1327 29143,1328 1.7,1329 22.828,1330 0.713,1331 0.566,1332 21.957,1333 18.127,1334 15.329,1335 0.438,1336 0.303,1337 10.421,1338 14.566,1339 10.17,1340 8.35,1341 14.936,1342 10.617,1343 14.264,1344 0.285,1345 0.163,1346 13.63,1347 8.143,1348 11.755,1349 0.178,1350 0.088,1351 11.413,1352 5.827,1353 10.057,1354 0.114,1355 0.047,1356 9.845,1357 4.152,1358 7.72,1359 0.075,1360 0.025,1361 7.391,1362 2.626,1363 0.27,1364 97.458,1365 0.209,1366 30.254,1367 0.45,1368 170,1369 578.111,1370 191.152,1371 521.376,1372 690.62,1373 486,1374 201,1375 484.825,1376 221.263,1377 482.895,1378 710.76,1379 454,1380 5}
{0 CHEMBL1738719,1 1.88,2 13,3 4.273,4 18.26,5 131.157,6 9.241,7 0.605,8 4.124,9 4.209,10 3.991,11 3.74,12 5.257,13 3.719,14 4.667,15 4.792,16 4.324,17 4.128,18 6.005,19 4.103,20 4.913,21 5.078,22 4.426,23 4.298,24 6.123,25 4.236,26 4.949,27 5.122,28 4.393,29 4.3,30 6.139,31 4.211,32 4.963,33 5.152,34 4.404,35 4.263,36 6.203,37 4.196,38 4.905,39 5.096,40 4.342,41 4.224,42 6.231,43 4.149,44 4.853,45 5.045,46 4.241,47 4.157,48 6.025,49 4.069,50 4.709,51 4.887,52 4.119,53 4.03,54 5.903,55 3.948,56 0.155,57 0.873,58 9.459,59 5.064,60 20.847,61 5.144,62 0.572,63 1.409,64 17.922,65 8.332,66 61.627,67 8.645,68 0.697,69 1.778,70 28.088,71 11.724,72 61.443,73 12.392,74 0.674,75 1.757,76 37.186,77 12.981,78 77.624,79 13.888,80 0.82,81 1.697,82 32.097,83 12.468,84 109.581,85 14.438,86 0.788,87 1.678,88 28.253,89 11.597,90 107.669,91 13.83,92 0.718,93 1.52,94 33.77,95 11.339,96 67.236,97 12.672,98 0.534,99 1.331,100 26.467,101 10.014,102 59.55,103 11.224,104 17,105 55,106 0.305,107 0.62,108 0.764,109 0.844,110 0.844,111 0.844,112 3.561,113 0.981,114 -3.38,115 -3.36,116 -3.21,119 44.4,125 4,142 9,143 3,144 4,145 2,146 1,147 1,172 8,174 1,175 7,178 2,180 1,183 10,186 1,187 9,190 1,192 4,195 10,198 1,199 11,204 3,207 5,211 2,212 11,217 2,220 5,224 7,229 2,232 9,236 3,237 9,245 8,250 6,253 2,255 1,258 6,263 3,271 9,275 2048,276 22.902,277 22.902,278 22.902,279 22.902,280 22.902,281 19.915,282 18.054,283 13.325,284 23.643,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 14.217,291 18.539,292 6.338,293 20.041,294 3.875,295 1.937,296 1.047,297 0.556,298 0.556,299 0.556,300 4.267,302 1,305 1,306 974,307 3.464,311 503.033,315 152.202,318 1.882,319 47.443,322 1,323 0.83,324 1,325 0.6,326 0.5,327 1,328 1,329 0.85,330 74.833,331 442,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.86,339 12.528,340 3.11,341 4.576,342 3.283,343 6.71,344 4.137,345 3.162,346 4.495,347 0.8,348 10.921,349 3.074,350 4.272,351 3.175,352 6.23,353 3.853,354 2.896,355 3.94,357 9.338,358 2.781,359 3.896,360 2.874,361 5.918,362 3.52,363 2.59,364 3.403,366 8.22,367 2.391,368 3.82,369 2.817,370 5.72,371 3.361,372 2.411,373 3.309,375 7.626,376 2.28,377 3.674,378 2.559,379 5.14,380 3.299,381 2.364,382 3.012,384 6.301,385 2.179,386 3.085,387 2.22,388 4.734,389 2.747,390 1.809,391 2.319,393 4.824,394 1.694,395 3.062,396 1.987,397 4.685,398 2.592,399 1.645,400 2.279,402 4.773,403 1.547,404 3.031,405 1.654,406 4.398,407 2.51,408 1.555,409 2.149,411 4.213,412 1.471,413 2.832,414 1.608,415 4.148,416 2.309,417 1.383,418 1.962,420 3.693,421 1.291,422 2.79,423 1.527,424 4.016,425 2.284,426 1.332,427 1.92,428 3.358,429 1.204,430 2.5,431 1.324,432 3.547,433 2.16,434 1.252,435 1.5,436 2.82,437 1.122,438 2.461,439 1.256,440 3.414,441 2,442 1,443 1.453,445 2.275,446 1,447 2.102,448 1,449 3.317,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.828,458 3.247,459 1.694,460 0.743,461 0.996,463 1.842,464 0.702,465 16.433,466 0.483,467 0.94,468 0.028,469 48.5,470 1.426,471 26,472 0.765,473 22.5,474 0.662,475 27.173,476 0.799,477 35.767,478 0.662,479 40.237,480 1.183,481 9.472,482 0.279,483 6.932,484 0.204,485 0.101,486 0.051,487 0.298,491 1,493 0.58,494 1.177,495 0.651,496 1.11,497 0.599,498 0.859,499 0.826,500 1.004,501 0.769,502 0.873,503 0.572,504 0.855,505 0.969,506 0.978,507 0.913,508 0.93,509 0.851,510 0.937,511 0.938,512 0.986,513 1.1,514 1.127,515 1.012,516 1.106,517 0.677,518 0.85,519 0.705,520 0.89,521 0.837,522 0.936,523 0.596,524 0.927,525 0.767,526 0.907,527 0.424,528 0.974,529 0.965,530 0.813,531 1.232,532 0.963,533 0.756,534 0.998,535 0.943,536 0.977,537 1.113,538 1.052,539 0.93,540 1.082,541 7.5,542 0.301,543 4.889,544 2.25,545 2.093,546 1.465,547 0.849,548 0.575,549 0.402,550 0.331,551 17118,552 56245,553 2.12,554 37,556 17,558 2,559 1,564 1.761,565 1.99,566 3.658,567 -0.304,573 101.531,574 1.88,575 3.818,576 4.708,577 5.199,578 5.199,579 5.199,580 3.1,581 4.418,582 5.06,583 3.794,584 2128.68,585 8.88,586 32039.4,591 310.764,592 1.501,593 5.017,594 0.197,595 0.009,596 0.089,597 0.039,598 0.039,599 0.027,600 0.016,601 0.012,602 0.01,603 0.009,604 0.448,605 0.33,606 0.75,607 0.513,608 181.515,609 0.025,610 -0.157,611 0.127,612 -0.104,613 -0.098,614 0.006,615 0.029,616 -0.016,617 -0.005,618 0.04,619 0.147,620 0.008,621 -0.092,622 0.024,623 -0.025,624 0.048,625 -0.021,626 0.006,627 -0.112,628 -0.058,629 -0.089,630 -0.103,631 -0.091,632 -0.12,633 0.109,634 -0.043,635 0.16,636 0.027,637 0.039,638 0.061,639 0.182,640 -0.016,641 0.104,642 0.012,643 0.281,644 0.016,645 -0.101,646 0.066,647 -0.11,648 0.012,649 -0.043,650 -0.003,651 -0.079,652 -0.11,653 -0.078,654 -0.088,655 -0.077,656 -0.089,657 4.894,658 5.763,659 0.824,660 34.824,661 1.023,662 1.122,663 2.147,664 4.609,665 0.716,666 3.664,667 4.025,668 4.304,669 4.564,670 4.86,671 4.942,672 5.069,673 5.209,674 5.384,675 5.481,676 7.436,677 0.692,678 499,679 3.664,680 5.231,681 6.094,682 6.987,683 7.868,684 8.766,685 9.653,686 10.552,687 11.443,688 12.343,689 7.4,694 1,695 1,699 2,703 2,704 11,705 2,709 7,711 23,726 1,730 2,731 54,733 25,734 2,735 38,737 58,738 24,739 20,740 5,741 7,746 5,747 6,748 1,761 20,762 4,766 2,769 1,771 2,779 1,781 20,782 8,783 1,784 10,785 2,790 4,794 0.8,795 3,805 2,812 5,816 1,839 1,840 4,842 1,845 1,846 1,848 34,852 1,854 4,855 1,856 1,859 1,869 2,870 5.6,873 2,874 1,877 17.083,878 9.719,879 7.264,880 3.117,881 4.442,882 1.528,883 1.033,884 6.302,885 12.854,886 3.961,887 4.63,888 5.212,889 5.81,890 6.431,891 6.773,892 7.205,893 7.64,894 8.131,895 8.475,896 0.889,897 58,898 12.901,900 5.968,901 7.971,902 23.691,904 19.997,905 2.471,906 84.028,910 223.651,911 152.93,912 53.1,913 39.149,914 55.313,915 14.96,916 5.807,917 147.123,918 318.112,919 68.06,921 13.396,922 91.094,923 128.831,924 48.493,925 57.181,926 200.109,928 223.651,929 200.223,930 70.273,931 44.956,933 238.611,934 44.313,935 11,937 33.635,938 116.612,939 55.783,940 39.149,941 238.611,942 108.413,943 192.079,945 5.807,946 223.651,947 43.741,948 106.505,949 16.405,950 142.993,951 223.651,952 123.373,953 192.079,955 0.592,956 0.345,957 0.181,958 0.107,959 28,960 12,961 0.086,962 5,963 1,964 1.071,965 4.413,966 332.337,967 0.071,968 28,969 162.974,973 1,974 22.85,975 9.377,976 4.834,977 1.831,978 123.373,979 17.368,980 8.654,984 2.106,986 16.405,987 539.103,988 51.5,991 -3.977,993 25.527,999 55.254,1000 60.562,1001 0.327,1002 0.663,1003 0.818,1004 0.903,1005 0.903,1006 0.903,1007 5.214,1008 1.645,1009 6.111,1010 4.824,1011 4.71,1012 5.318,1013 1.235,1014 6.971,1015 4.59,1016 6.459,1017 1.555,1018 7.707,1019 4.773,1020 4.443,1021 5.366,1022 0.325,1023 8.127,1024 4.23,1025 7.811,1026 1.383,1027 9.413,1028 4.213,1029 6.389,1030 7.659,1031 0.938,1032 11.186,1033 6.159,1034 9.205,1035 1.332,1036 11.188,1037 3.693,1038 6.938,1039 8.526,1040 0.268,1041 13.174,1042 6.611,1043 10.636,1044 1.252,1045 13.009,1046 3.358,1047 8.392,1048 10.339,1049 0.732,1050 15.818,1051 8.043,1052 12.092,1053 1,1054 14.861,1055 2.82,1056 9.3,1057 11.564,1058 0.188,1059 18.119,1060 8.858,1061 13.568,1062 1,1063 16.736,1064 2.275,1065 10.574,1066 13.199,1067 0.57,1068 20.648,1069 10.094,1070 3.4,1071 0.743,1072 18.63,1073 2.136,1074 11.64,1075 14.586,1076 0.125,1077 23.07,1078 11.075,1079 3.162,1080 12.528,1081 20.537,1082 1.842,1083 12.852,1084 16.152,1085 0.438,1086 25.573,1087 12.234,1088 2.896,1089 10.921,1090 22.455,1091 4.71,1092 13.988,1093 17.614,1094 0.082,1095 28.045,1096 13.29,1097 2.59,1098 9.338,1099 24.383,1100 4.495,1101 15.183,1102 19.154,1103 0.334,1104 30.546,1105 14.421,1106 2.411,1107 8.22,1108 26.318,1109 3.94,1110 16.351,1111 20.651,1112 0.054,1113 33.04,1114 15.512,1115 2.364,1116 7.626,1117 28.26,1118 3.403,1119 17.544,1120 22.183,1121 0.252,1122 35.546,1123 16.634,1124 1.809,1125 6.301,1126 30.208,1127 3.309,1128 18.729,1129 23.698,1130 0.035,1131 38.051,1132 17.741,1133 15955,1134 29192,1135 25.542,1136 38.682,1137 57.57,1138 59.709,1139 58.876,1140 57.644,1141 57.533,1142 77.443,1143 3.32,1144 170.833,1145 53.919,1146 5.86,1147 6.686,1148 7.113,1149 5.423,1150 5.4,1151 7.71,1152 1.72,1153 19.921,1154 5.11,1155 15.5,1156 1.515,1157 1.571,1158 1.549,1159 1.517,1160 1.514,1161 2.038,1162 0.087,1163 4.496,1164 1.419,1165 4.132,1166 4.148,1167 4.738,1168 4.087,1169 8.201,1170 4.057,1171 4.051,1172 4.041,1173 4.082,1174 4.012,1175 7.717,1176 3.96,1177 3.841,1178 3.876,1179 3.933,1180 3.742,1181 6.999,1182 3.75,1183 3.718,1184 3.767,1185 3.719,1186 3.538,1187 5.06,1188 3.536,1189 3.599,1190 3.582,1191 3.624,1192 3.492,1193 4.957,1194 3.44,1195 3.383,1196 3.418,1197 3.427,1198 3.278,1199 4.615,1200 3.271,1201 3.111,1202 3.206,1203 3.152,1204 2.941,1205 4.582,1206 2.91,1207 3.019,1208 3.069,1209 2.906,1210 2.893,1211 4.438,1212 2.891,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1221 0.023,1222 7.311,1223 0.33,1224 4.319,1225 0.082,1226 3.4,1227 4.71,1228 0.86,1229 12.528,1230 3.11,1231 2.065,1232 2.044,1233 2.128,1234 2.151,1235 1.301,1236 2.148,1237 1.955,1238 1.963,1239 1.965,1240 2.034,1241 1.169,1242 2.063,1243 1.799,1244 1.769,1245 1.914,1246 1.939,1247 1.139,1248 1.936,1249 1.656,1250 1.605,1251 1.817,1252 1.861,1253 0.936,1254 1.857,1255 1.437,1256 1.451,1257 1.544,1258 1.591,1259 0.825,1260 1.617,1261 1.336,1262 1.319,1263 1.513,1264 1.481,1265 0.636,1266 1.5,1267 1.153,1268 1.064,1269 1.203,1270 1.376,1271 0.502,1272 1.429,1273 0.978,1274 0.934,1275 1.181,1276 1.176,1277 0.256,1278 1.173,1279 4.344,1281 5.694,1283 7.246,1285 8.885,1287 10.568,1290 6.198,1291 13.205,1295 2.923,1296 2.454,1297 5.476,1300 2.264,1305 37.369,1306 101.531,1307 206.181,1308 254.235,1309 280.764,1310 280.764,1311 280.764,1312 70.753,1313 8.412,1314 84.42,1315 92.8,1316 30,1317 12.867,1318 4.7,1319 3.858,1320 49.97,1321 152,1322 164,1323 0.159,1324 231.646,1325 399.48,1326 556.977,1327 59997,1328 3.7,1329 23.709,1330 0.697,1331 0.573,1332 23.588,1333 19.482,1334 16.404,1335 0.432,1336 0.327,1337 10.555,1338 14.694,1339 10.228,1340 8.365,1341 17.12,1342 12.425,1343 15.45,1344 0.281,1345 0.179,1346 16.499,1347 9.824,1348 12.985,1349 0.178,1350 0.1,1351 14.046,1352 7.294,1353 10.639,1354 0.112,1355 0.054,1356 11.777,1357 5.15,1358 9.212,1359 0.072,1360 0.029,1361 10.436,1362 3.766,1363 0.25,1364 114.54,1365 0.198,1366 31.318,1367 0.434,1368 186,1369 639.65,1370 257.643,1371 639.867,1372 852.43,1373 592,1374 221,1375 568.682,1376 296.631,1377 616.041,1378 903.92,1379 578,1380 7.796}
{0 CHEMBL175944,1 1.517,2 8.478,3 4.087,4 16.704,5 94.839,6 8.086,7 0.462,8 3.798,9 3.889,10 3.505,11 3.466,12 4.858,13 3.41,14 4.334,15 4.469,16 3.841,17 3.864,18 5.362,19 3.783,20 4.585,21 4.763,22 3.89,23 3.951,24 5.587,25 3.874,26 4.575,27 4.747,28 3.825,29 3.882,30 5.671,31 3.812,32 4.554,33 4.742,34 3.82,35 3.867,36 5.586,37 3.79,38 4.478,39 4.654,40 3.711,41 3.832,42 5.566,43 3.729,44 4.39,45 4.572,46 3.592,47 3.734,48 5.47,49 3.605,50 4.297,51 4.532,52 3.279,53 3.603,54 5.144,55 3.394,56 0.006,57 0.507,58 7.628,59 3.896,60 4.153,61 4.691,62 0.129,63 0.918,64 18.121,65 7.312,66 11.411,67 8.335,68 0.169,69 1.154,70 24.168,71 9.196,72 20.547,73 10.847,74 0.344,75 1.05,76 20.434,77 8.572,78 37.746,79 10.333,80 0.237,81 1.047,82 21.751,83 8.737,84 28.921,85 10.377,86 0.19,87 0.997,88 19.722,89 8.112,90 34.298,91 9.52,92 0.209,93 0.921,94 18.368,95 7.437,96 35.772,97 8.741,98 0.103,99 0.859,100 17.463,101 7.478,102 22.365,103 9.64,104 2,105 36,106 0.267,107 0.562,108 0.674,109 0.762,110 0.815,111 0.815,112 3.19,113 1.031,114 -4.52,115 -4.44,116 -4.19,119 47.5,125 4,135 1,139 1,142 8,143 3,144 1,157 1,172 11,174 1,175 6,183 14,187 5,195 12,198 2,199 7,207 10,212 8,220 10,224 6,232 6,237 5,245 5,250 2,258 4,271 3,275 696,276 16.052,277 16.052,278 16.052,279 16.052,280 16.052,281 14.337,282 11.577,283 9.684,284 16.484,285 12.881,286 12.881,287 12.881,288 12.881,289 12.881,290 10.246,291 13.496,292 4.62,293 13.551,294 3.805,295 2.132,296 1.5,297 1,298 0.7,299 0.7,300 3.894,303 1,304 1,305 1,306 432,307 1.871,311 226.251,315 87.589,318 1.195,319 17.164,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 195,332 4.563,333 4.217,334 6.805,335 4.196,336 3.22,337 4.235,338 2.95,339 11.241,340 3.152,341 4.105,342 3.637,343 6.168,344 3.757,345 2.804,346 3.569,347 1.138,348 9.13,349 2.717,350 3.843,351 3.151,352 5.977,353 3.548,354 2.573,355 3.161,356 0.643,357 8.358,358 2.45,359 3.448,360 2.994,361 5.091,362 3.012,363 2.008,364 2.747,366 5.74,367 2.006,368 3.037,369 2.427,370 4.539,371 2.711,372 1.829,373 2.146,375 4.675,376 1.614,377 2.918,378 2.403,379 4.227,380 2.495,381 1.504,382 2.042,384 3.737,385 1.477,386 2.828,387 1.905,388 3.804,389 2.375,390 1.417,391 1.893,393 3.138,394 1.347,395 2.515,396 1.665,397 3.525,398 2.062,399 1.139,400 1.5,402 2.708,403 1.041,404 2.5,405 1.431,406 3.457,407 2,408 1,409 1.488,411 2.362,412 1,413 2.206,414 1.161,415 3.247,416 1.938,417 1,418 1.138,420 2.136,421 0.924,422 2,423 1,424 3.247,425 1.86,426 0.936,427 1,428 2.136,429 0.841,430 1.427,431 0.61,432 2.788,433 0.942,434 -0.029,435 -0.038,436 -0.076,437 -0.028,438 0.919,439 0.381,440 2.655,441 0.489,442 -0.491,443 -0.592,445 -1.281,446 -0.472,447 0.775,448 -0.038,449 2.417,450 0.457,451 -0.546,452 -0.748,454 -1.29,455 -0.546,456 0.562,457 -0.381,458 2.211,459 0.178,460 -0.76,461 -0.855,463 -1.88,464 -0.705,465 11.4,466 0.496,467 0.432,468 0.019,469 30,470 1.304,471 15.5,472 0.674,473 14.5,474 0.63,475 18.071,476 0.786,477 23.4,478 0.585,479 19.745,480 0.858,481 5.465,482 0.238,483 5.861,484 0.255,485 0.029,487 0.298,493 0.7,494 1.071,495 0.705,496 0.883,497 0.533,498 0.854,499 0.872,500 1.085,501 1.203,502 1.148,503 0.585,504 0.978,505 1.168,506 1.056,507 1.04,508 1.066,509 0.86,510 0.944,511 1.374,512 0.94,513 0.753,514 0.829,515 1.044,516 0.937,517 1.448,518 0.907,519 0.745,520 0.806,521 1.162,522 0.854,523 1.424,524 1.031,525 0.995,526 0.951,527 1.86,528 1.033,529 1.348,530 1.059,531 1.038,532 1.014,533 2.016,534 1.143,535 0.588,536 1.07,537 0.982,538 1.046,539 0.851,540 1.206,541 3,542 0.016,543 2.444,544 1.313,545 1.08,546 0.903,547 0.487,548 0.196,549 0.061,550 0.023,551 5444,552 13788,553 2.196,554 42.5,556 17,564 1.664,565 2.123,566 3.092,567 -0.815,569 1,573 60.68,574 1.517,575 3.19,576 3.822,577 4.322,578 4.622,579 4.622,580 2.475,581 3.882,582 4.496,583 3.169,584 801.674,585 7.774,586 8784.54,588 1,589 1,590 1,591 212.877,592 1.121,593 4.483,594 0.115,595 0.004,596 0.068,597 0.035,598 0.031,599 0.027,600 0.016,601 0.008,602 0.004,603 0.003,604 0.31,605 0.67,606 1,607 0.393,608 105.068,609 0.006,610 -0.081,611 0.077,612 0.012,613 -0.008,614 0.024,615 0.026,616 -0.024,617 -0.15,618 -0.126,619 0.032,620 -0.063,621 -0.054,622 -0.047,623 -0.077,624 -0.112,625 0.016,626 -0.009,627 0.106,628 -0.019,629 -0.001,631 0.088,632 -0.031,633 -0.094,634 0.025,635 0.081,636 0.07,637 -0.049,638 0.081,639 -0.188,640 -0.063,641 -0.124,642 -0.048,643 -0.178,644 -0.109,645 -0.19,646 -0.084,647 -0.149,648 -0.1,649 -0.235,650 -0.214,651 -0.032,652 -0.119,653 -0.058,654 -0.086,655 -0.072,656 -0.19,657 1.641,658 5.534,659 0.957,660 16.163,661 0.998,662 1.104,663 3.289,664 10.818,665 0.716,666 3.296,667 3.611,668 3.932,669 4.234,670 4.522,671 4.585,672 4.771,673 4.875,674 4.956,675 4.942,676 5.05,677 0.671,678 323.44,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.358,685 9.252,686 10.151,687 11.05,688 11.952,689 2.5,692 1,704 8,709 4,711 12,716 1,729 1,731 40,733 14,734 2,735 26,737 43,738 19,739 12,740 4,741 8,742 3,746 4,747 5,761 15,762 4,766 2,771 1,773 1,775 2,778 1,781 17,782 3,784 4,785 1,790 1,794 0.75,795 2,812 4,816 1,831 1,836 1,840 3,841 1,842 1,848 23,854 4,856 1,857 1,859 1,870 5,873 1,875 1,877 10.833,878 7.2,879 5.056,880 2.458,881 2.71,882 1.37,883 1.023,884 4.043,885 10.044,886 3.555,887 4.111,888 4.705,889 5.283,890 5.847,891 6.105,892 6.554,893 6.917,894 7.241,895 7.466,896 0.833,897 38,898 8.542,900 3.694,901 7.601,902 16.636,904 14.049,905 2.101,906 48.333,909 1,910 200.109,911 148.265,912 3.124,914 36.145,916 32.22,917 116.045,918 236.254,919 3.124,921 6.011,922 85.286,923 30.278,924 33.739,926 232.328,928 200.109,929 119.17,930 36.145,931 32.22,933 200.109,934 36.145,937 9.135,938 100.558,939 9.476,940 32.22,941 200.109,942 39.269,943 148.265,946 200.109,947 62.979,948 88.411,950 36.145,951 200.109,952 39.269,953 148.265,955 0.573,956 0.344,957 0.199,958 0.114,959 19,960 7,961 0.047,962 2,963 1,964 1.091,965 3.526,966 195.198,967 0.091,968 22,969 96.042,970 1,974 14.705,975 6.324,976 2.856,978 39.269,979 15.828,984 3.349,987 387.643,988 34,993 12.534,995 1.632,997 0.712,999 39.902,1000 44.159,1001 0.285,1002 0.599,1003 0.718,1004 0.812,1005 0.868,1006 0.868,1007 4.787,1008 1.139,1009 5.659,1010 3.138,1011 4.29,1012 4.796,1013 3.07,1014 6.485,1015 4.21,1016 5.967,1017 1,1018 7.217,1019 2.708,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.681,1025 7.262,1026 1,1027 8.884,1028 2.362,1029 5.878,1030 6.925,1031 5.048,1032 10.571,1033 5.742,1034 8.596,1035 0.936,1036 10.619,1037 2.136,1038 6.236,1039 7.449,1040 0.424,1041 12.371,1042 6.103,1043 9.967,1044 -0.029,1045 12.397,1046 2.136,1047 7.779,1048 9.369,1049 7.188,1050 15.027,1051 7.6,1052 11.365,1053 -0.491,1054 14.205,1055 -0.076,1056 8.558,1057 10.325,1058 0.581,1059 17.17,1060 8.376,1061 12.784,1062 -0.546,1063 16.033,1064 -1.281,1065 9.859,1066 11.99,1067 9.348,1068 19.658,1069 9.642,1070 3.22,1071 -0.76,1072 17.875,1073 -1.29,1074 10.837,1075 13.172,1076 0.788,1077 21.948,1078 10.61,1079 2.804,1080 11.241,1081 19.728,1082 -1.88,1083 12.04,1084 14.716,1085 11.511,1086 24.379,1087 11.787,1088 2.573,1089 9.13,1090 21.59,1091 4.235,1092 13.111,1093 16.016,1094 1.027,1095 26.734,1096 12.843,1097 2.008,1098 8.358,1099 23.459,1100 3.569,1101 14.278,1102 17.503,1103 13.675,1104 29.148,1105 13.988,1106 1.829,1107 5.74,1108 25.332,1109 3.161,1110 15.393,1111 18.867,1112 1.284,1113 31.533,1114 15.086,1115 1.504,1116 4.675,1117 27.211,1118 2.747,1119 16.548,1120 20.327,1121 15.838,1122 33.945,1123 16.221,1124 1.417,1125 3.737,1126 29.094,1127 2.146,1128 17.685,1129 21.726,1130 1.553,1131 36.345,1132 17.339,1133 5114,1134 8242,1135 18.087,1136 28.654,1137 39.395,1138 42.846,1139 39.289,1140 38.84,1141 38.858,1142 49.839,1143 9.461,1144 110.718,1145 37.14,1146 5.563,1147 6.217,1148 6.607,1149 5.339,1150 5.22,1151 7.235,1152 5.9,1153 18.616,1154 5.152,1155 5.635,1156 1.515,1157 1.648,1158 1.511,1159 1.494,1160 1.495,1161 1.917,1162 0.364,1163 4.258,1164 1.428,1165 4.049,1166 4.063,1167 4.027,1168 3.984,1169 7.428,1170 3.987,1171 3.831,1172 3.866,1173 3.914,1174 3.745,1175 4.901,1176 3.741,1177 3.722,1178 3.766,1179 3.737,1180 3.649,1181 4.691,1182 3.601,1183 3.412,1184 3.435,1185 3.421,1186 3.32,1187 4.428,1188 3.304,1189 3.111,1190 3.206,1191 3.061,1192 2.941,1193 4.13,1194 2.91,1195 3.016,1196 3.039,1197 2.866,1198 2.904,1199 3.747,1200 2.9,1201 2.854,1202 2.925,1203 2.851,1204 2.735,1205 3.674,1206 2.715,1207 2.842,1208 2.888,1209 2.687,1210 2.725,1211 3.527,1212 2.694,1213 0.175,1214 0.162,1215 0.262,1216 0.161,1217 0.124,1218 4.563,1219 0.163,1220 4.217,1221 0.113,1222 6.805,1223 0.432,1224 4.196,1225 0.121,1226 3.22,1227 4.235,1228 2.95,1229 11.241,1230 3.152,1231 2.006,1232 1.992,1233 2.087,1234 2.086,1235 1.268,1236 2.084,1237 1.81,1238 1.784,1239 1.93,1240 1.936,1241 1.2,1242 1.948,1243 1.702,1244 1.655,1245 1.856,1246 1.834,1247 0.969,1248 1.858,1249 1.381,1250 1.359,1251 1.516,1252 1.523,1253 0.825,1254 1.531,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.608,1260 1.429,1261 0.988,1262 0.956,1263 1.181,1264 1.135,1265 0.306,1266 1.144,1267 0.886,1268 0.821,1269 1.174,1270 1.062,1271 0.26,1272 1.107,1273 0.796,1274 0.753,1275 1.02,1276 0.996,1277 0.218,1278 1.034,1279 3.97,1281 5.283,1283 6.821,1285 8.459,1287 10.149,1295 3.989,1297 6.184,1298 1.94,1300 2.166,1305 26.853,1306 60.68,1307 127.593,1308 152.877,1309 172.877,1310 184.877,1311 184.877,1312 31.532,1313 7.334,1314 33.45,1315 58.75,1316 24,1317 12.473,1318 3.907,1319 3.17,1320 31.605,1321 68,1322 70,1323 0.228,1324 165.95,1325 291.99,1326 396.678,1327 14250,1329 15.648,1330 0.68,1331 0.588,1332 16.002,1333 13.513,1334 11.326,1335 0.436,1336 0.344,1337 7.809,1338 10.534,1339 7.542,1340 6.178,1341 11.826,1342 8.933,1343 9.927,1344 0.276,1345 0.189,1346 10.458,1347 6.821,1348 8.727,1349 0.175,1350 0.102,1351 9.181,1352 5.092,1353 7.627,1354 0.112,1355 0.057,1356 8.122,1357 3.853,1358 6.528,1359 0.072,1360 0.032,1361 7.084,1362 2.927,1363 0.343,1364 74.928,1365 0.235,1366 22.063,1367 0.672,1368 124,1369 335.977,1370 151.778,1371 344.62,1372 476.53,1373 326,1374 148,1375 341.097,1376 171.726,1377 352.461,1378 523.17,1379 334,1380 4}
{0 CHEMBL1760153,1 1.634,2 8.963,3 2.589,4 6.702,5 99.362,6 8.382,7 0.733,8 3.903,9 4.037,10 3.562,11 3.408,12 5.157,13 3.433,14 4.353,15 4.517,16 3.954,17 3.773,18 5.673,19 3.779,20 4.541,21 4.731,22 3.961,23 3.846,24 5.747,25 3.852,26 4.57,27 4.766,28 3.972,29 3.831,30 5.803,31 3.824,32 4.591,33 4.809,34 3.93,35 3.828,36 5.793,37 3.829,38 4.597,39 4.806,40 3.94,41 3.894,42 5.781,43 3.867,44 4.604,45 4.819,46 3.835,47 3.902,48 5.784,49 3.846,50 4.565,51 4.793,52 3.679,53 3.809,54 5.678,55 3.726,56 0.109,57 0.747,58 7.071,59 2.885,60 13.665,61 3.552,62 0.34,63 1.126,64 12.486,65 5.321,66 31.384,67 6.856,68 0.34,69 1.269,70 16.726,71 5.223,72 35.242,73 6.778,74 0.399,75 1.291,76 17.436,77 6.009,78 37.747,79 7.952,80 0.49,81 1.297,82 18.992,83 4.94,84 43.607,85 6.669,86 0.398,87 1.305,88 18.868,89 6.465,90 43.343,91 8.677,92 0.463,93 1.282,94 18.885,95 6.437,96 41.372,97 8.653,98 0.278,99 1.152,100 19.352,101 7.279,102 32.856,103 10.046,104 18,105 43,106 0.279,107 0.623,108 0.754,109 0.873,110 0.892,111 0.892,112 3.341,113 0.814,114 -4.45,115 -4.38,116 -4.13,119 41.9,120 1,142 8,143 1,144 1,146 1,149 1,150 2,152 1,158 1,162 1,163 2,164 2,165 2,172 7,174 6,175 5,177 3,178 5,180 3,183 6,185 1,187 6,192 4,195 3,197 2,198 3,199 11,201 2,202 4,204 5,209 2,212 9,215 1,216 1,217 3,219 1,222 1,223 1,224 10,226 1,227 2,228 1,229 2,231 1,232 5,234 1,236 2,237 6,239 2,240 2,242 2,245 10,247 2,250 5,255 3,258 9,260 3,262 2,263 4,265 2,266 2,268 4,271 4,273 4,275 1132,276 18.102,277 18.102,278 18.102,279 18.102,280 18.102,281 15.338,282 22.179,283 10.623,284 18.525,285 14.86,286 14.86,287 14.86,288 14.86,289 14.86,290 10.68,291 32.96,292 5.088,293 15.605,294 3.792,295 1.776,296 1.012,297 0.314,298 0.204,299 0.204,300 4.036,303 1,304 1,305 1,306 523,307 2.915,310 53.246,311 219.398,314 104.89,318 1.232,319 27.106,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 59,331 242,332 4.697,333 3.504,334 6.943,335 4.209,336 3.283,337 4.634,338 0.98,339 11.777,340 3.049,341 4.195,342 3.374,343 5.98,344 3.816,345 2.816,346 3.798,347 0.4,348 8.498,349 2.815,350 4.123,351 2.806,352 5.853,353 3.618,354 2.696,355 3.793,357 8.162,358 2.483,359 3.717,360 2.667,361 5.51,362 3.337,363 2.368,364 3.113,366 7.21,367 2.287,368 3.548,369 2.311,370 5.241,371 3.108,372 2.161,373 2.893,375 6.448,376 2.041,377 3.239,378 2.087,379 4.902,380 2.797,381 1.879,382 2.536,384 5.39,385 1.724,386 3.232,387 2.034,388 4.618,389 2.756,390 1.818,391 2.481,393 4.963,394 1.698,395 2.931,396 1.692,397 4.526,398 2.414,399 1.455,400 2.127,402 4.257,403 1.398,404 2.876,405 1.467,406 3.778,407 2.381,408 1.394,409 2.031,411 3.059,412 1.366,413 2.761,414 1.369,415 3.621,416 2.268,417 1.277,418 1.853,420 2.908,421 1.26,422 2.53,423 1.166,424 3.446,425 2.016,426 1,427 1.475,428 2.323,429 1.01,430 1.998,431 0.559,432 3.43,433 1.47,434 0.526,435 0.766,436 1.42,437 0.496,438 1.294,439 0.148,440 2.917,441 0.94,447 1,448 0.13,449 2.604,450 0.572,451 -0.347,452 -0.445,454 -0.891,455 -0.318,456 0.929,457 -0.126,458 2.382,459 0.481,460 -0.442,461 -0.566,463 -1.144,464 -0.408,465 12.533,466 0.464,467 0.75,468 0.028,469 41.5,470 1.537,471 22.5,472 0.833,473 19,474 0.704,475 17.607,476 0.652,477 27.667,478 0.643,479 31.51,480 1.167,481 8.322,482 0.308,483 4.686,484 0.174,485 0.13,487 0.391,493 0.984,494 1.358,495 0.725,496 0.944,497 0.898,498 0.797,499 0.364,500 0.888,501 0.625,502 0.96,503 0.383,504 0.873,505 1.334,506 1.271,507 1.001,508 0.963,509 1.045,510 0.914,511 0.937,512 1.193,513 0.933,514 1.127,515 0.892,516 1.053,517 1.388,518 1.008,519 1.099,520 0.752,521 0.977,522 0.822,523 0.936,524 1.001,525 0.928,526 0.934,527 0.807,528 0.929,529 0.901,530 0.839,531 1.16,532 0.958,533 0.729,534 1.068,535 0.787,536 1.092,537 1.034,538 1.231,539 0.817,540 1.191,541 6,542 0.168,543 2.444,544 2.604,545 1.348,546 1.004,547 0.653,548 0.427,549 0.399,550 0.181,551 8087,552 24662,553 2.097,554 37.2,556 8,559 5,560 3,564 1.708,565 1.952,566 3.171,567 2.584,568 1,569 1,573 70.271,574 1.634,575 3.65,576 4.414,577 5.112,578 5.223,579 5.223,580 2.496,581 4.236,582 4.727,583 3.328,584 1168.09,585 8.246,586 14686.1,588 1,590 1,591 233.329,592 1.447,593 4.681,594 0.2,595 0.012,596 0.057,597 0.061,598 0.032,599 0.024,600 0.016,601 0.012,602 0.013,603 0.008,604 0.434,606 1,607 0.76,608 131.287,609 -0.2,610 -0.18,611 0.011,612 0.013,613 -0.233,614 0.053,615 0.48,616 0.232,617 0.193,618 0.006,619 0.278,620 0.021,621 -0.311,622 -0.2,623 -0.109,624 -0.038,625 -0.176,626 -0.029,627 0.069,628 -0.147,629 -0.019,630 -0.19,631 0.004,632 -0.145,633 -0.311,634 0.063,635 -0.155,636 0.127,637 -0.146,638 0.05,639 -0.047,640 0.019,641 0.001,642 0.039,643 -0.022,644 0.028,645 -0.065,646 0.189,647 -0.24,648 0.014,649 -0.046,650 -0.111,651 -0.031,652 -0.172,653 -0.057,654 -0.18,655 -0.02,656 -0.131,657 2.173,658 4.443,659 0.778,660 21.929,661 1.016,662 1.136,663 3.223,664 10.386,665 0.687,666 3.434,667 3.784,668 4.06,669 4.394,670 4.635,671 4.762,672 4.92,673 5.081,674 5.142,675 5.22,676 5.725,677 0.674,678 360.42,679 3.434,680 4.99,681 5.849,682 6.749,683 7.63,684 8.538,685 9.43,686 10.342,687 11.24,688 12.155,689 18.6,693 1,696 1,697 2,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,717 1,722 1,724 1,731 43,733 23,734 2,735 30,737 46,738 18,739 16,740 4,741 8,742 1,746 4,747 5,752 1,761 17,762 1,766 1,771 1,775 1,777 1,778 1,781 16,782 8,783 5,784 9,787 1,790 8,794 0.75,795 1,811 1,812 3,815 1,840 3,844 1,848 27,849 2,855 1,870 2.3,873 1,877 13.833,878 8,879 5.806,880 2.314,881 4.35,882 1.57,883 1.038,884 4.28,885 11.977,886 3.761,887 4.434,888 5.063,889 5.734,890 6.305,891 6.667,892 7.152,893 7.634,894 7.966,895 8.387,896 0.833,897 43,898 9.877,900 4.231,901 7.889,902 18.362,904 14.802,905 2.389,906 64.5,909 1,910 129.482,911 107.596,912 152.846,914 25.145,917 107.596,918 154.627,919 152.846,920 8.825,921 32.897,922 108.707,923 96.992,924 32.223,925 5.942,926 129.482,928 129.482,929 260.442,930 25.145,933 131.81,934 25.145,937 69.474,938 121.498,939 67.142,941 129.482,942 177.991,943 107.596,946 129.482,947 22.96,948 86.534,949 18.011,950 158.081,951 129.482,952 177.991,953 107.596,955 0.587,956 0.336,957 0.192,958 0.108,959 22,960 10,961 0.087,962 4,963 1,964 1.095,965 3.775,966 242.316,967 0.095,968 21,969 128.382,974 17.095,975 6.76,976 3.36,977 1.554,978 176.092,979 14.422,980 17.252,984 2.489,985 1.747,986 83.805,987 415.069,988 42,993 11.443,997 -0.506,999 43.676,1000 48.857,1001 0.301,1002 0.673,1003 0.814,1004 0.942,1005 0.962,1006 0.962,1007 4.994,1008 1.455,1009 5.849,1010 4.963,1011 4.466,1012 5.121,1013 1.176,1014 6.683,1015 4.368,1016 6.235,1017 1.394,1018 7.418,1019 4.257,1020 4.111,1021 4.997,1023 7.606,1024 3.952,1025 7.559,1026 1.277,1027 9.084,1028 3.059,1029 6.075,1030 7.401,1031 1.063,1032 10.743,1033 5.87,1034 8.919,1035 1,1036 10.809,1037 2.908,1038 6.509,1039 8.087,1041 12.539,1042 6.235,1043 10.309,1044 0.526,1045 12.574,1046 2.323,1047 7.979,1048 9.98,1049 1.022,1050 15.209,1051 7.661,1052 11.723,1054 14.367,1055 1.42,1056 8.794,1057 11.079,1059 17.398,1060 8.402,1061 13.157,1062 -0.347,1063 16.183,1065 10.065,1066 12.751,1067 0.993,1068 19.917,1069 9.624,1070 3.283,1071 -0.442,1072 18.017,1073 -0.891,1074 11.067,1075 14.063,1077 22.272,1078 10.548,1079 2.816,1080 11.777,1081 19.867,1082 -1.144,1083 12.262,1084 15.638,1085 0.967,1086 24.748,1087 11.685,1088 2.696,1089 8.498,1090 21.731,1091 4.634,1092 13.352,1093 17.058,1095 27.169,1096 12.697,1097 2.368,1098 8.162,1099 23.605,1100 3.798,1101 14.523,1102 18.596,1103 0.942,1104 29.634,1105 13.803,1106 2.161,1107 7.21,1108 25.489,1109 3.793,1110 15.656,1111 20.068,1113 32.081,1114 14.856,1115 1.879,1116 6.448,1117 27.381,1118 3.113,1119 16.824,1120 21.594,1121 0.917,1122 34.545,1123 15.952,1124 1.818,1125 5.39,1126 29.28,1127 2.893,1128 17.978,1129 23.094,1131 37.003,1132 17.027,1133 7779,1134 13722,1135 19.997,1136 29.546,1137 46.093,1138 46.011,1139 46.997,1140 45.421,1141 45.348,1142 63.001,1143 2.76,1144 132.831,1145 43.25,1146 5.487,1147 5.504,1148 6.624,1149 5.309,1150 5.283,1151 7.634,1152 1.96,1153 18.982,1154 5.049,1155 13.468,1156 1.536,1157 1.534,1158 1.567,1159 1.514,1160 1.512,1161 2.1,1162 0.092,1163 4.428,1164 1.442,1165 4.137,1166 4.184,1167 4.116,1168 3.999,1169 7.437,1170 4.021,1171 3.913,1172 3.94,1173 3.862,1174 3.842,1175 5.27,1176 3.843,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 5.025,1182 3.606,1183 3.428,1184 3.488,1185 3.361,1186 3.228,1187 4.899,1188 3.253,1189 3.31,1190 3.367,1191 3.231,1192 3.07,1193 4.691,1194 3.105,1195 3.166,1196 3.274,1197 2.99,1198 2.916,1199 4.678,1200 2.922,1201 2.969,1202 3.054,1203 2.867,1204 2.787,1205 4.334,1206 2.792,1207 2.904,1208 2.973,1209 2.788,1210 2.765,1211 4.018,1212 2.761,1213 0.157,1214 0.117,1215 0.231,1216 0.14,1217 0.109,1218 4.697,1219 0.154,1220 3.504,1221 0.033,1222 6.943,1223 0.393,1224 4.209,1225 0.102,1226 3.283,1227 4.634,1228 0.98,1229 11.777,1230 3.049,1231 1.926,1232 1.896,1233 2.015,1234 2.062,1235 1.121,1236 2.04,1237 1.906,1238 1.881,1239 2.004,1240 2.005,1241 1.088,1242 2.005,1243 1.703,1244 1.64,1245 1.808,1246 1.921,1247 0.796,1248 1.897,1249 1.376,1250 1.312,1251 1.521,1252 1.649,1253 0.578,1254 1.608,1255 1.201,1256 1.153,1257 1.411,1258 1.507,1259 0.276,1260 1.485,1261 1.122,1262 1.027,1263 1.361,1264 1.437,1265 0.243,1266 1.441,1267 0.962,1268 0.9,1269 1.165,1270 1.204,1271 0.197,1272 1.197,1273 0.897,1274 0.836,1275 1.129,1276 1.087,1277 0.143,1278 1.107,1279 4.111,1281 5.451,1282 2.398,1283 6.98,1284 4.844,1285 8.599,1286 7.05,1287 10.265,1289 1.74,1293 11.161,1296 3.197,1305 28.993,1306 70.271,1307 156.965,1308 189.82,1309 219.82,1310 224.574,1311 224.574,1312 36.872,1313 7.627,1314 137.63,1315 137.63,1316 23,1317 12.67,1318 4.585,1319 3.7,1320 39.858,1321 90,1322 92,1323 0.214,1324 180.008,1325 294.67,1326 430.98,1327 20766,1329 18.966,1330 0.702,1331 0.534,1332 18.966,1333 14.418,1334 13.008,1335 0.434,1336 0.271,1337 8.008,1338 12.461,1339 7.834,1340 6.521,1341 13.008,1342 8.14,1343 12.231,1344 0.284,1345 0.137,1346 12.231,1347 5.87,1348 9.774,1349 0.171,1350 0.069,1351 9.774,1352 3.917,1353 8.823,1354 0.11,1355 0.035,1356 8.823,1357 2.78,1358 7.059,1359 0.069,1360 0.018,1361 7.059,1362 1.806,1363 0.325,1364 81.744,1365 0.224,1366 25.347,1367 0.623,1368 146,1369 446.918,1370 164.172,1371 441.818,1372 615.84,1373 412,1374 173,1375 476.073,1376 190.176,1377 480.776,1378 706.02,1379 453,1380 6.538}
{0 CHEMBL1760154,1 1.628,2 11.241,3 2.703,4 7.306,5 107.437,6 8.114,7 0.688,8 4.005,9 4.145,10 3.638,11 3.473,12 5.219,13 3.498,14 4.47,15 4.652,16 4.014,17 3.831,18 5.731,19 3.833,20 4.645,21 4.85,22 4.013,23 3.908,24 5.8,25 3.91,26 4.672,27 4.878,28 4.02,29 3.91,30 5.868,31 3.896,32 4.685,33 4.905,34 3.993,35 3.922,36 5.844,37 3.915,38 4.692,39 4.901,40 3.993,41 3.991,42 5.843,43 3.951,44 4.721,45 4.953,46 3.828,47 3.978,48 5.795,49 3.89,50 4.648,51 4.902,52 3.632,53 3.823,54 5.652,55 3.716,56 0.11,57 0.829,58 8.586,59 3.152,60 10.819,61 4.259,62 0.446,63 1.23,64 15.704,65 5.776,66 30.72,67 7.905,68 0.386,69 1.367,70 20.206,71 5.57,72 37.728,73 8.04,74 0.463,75 1.378,76 20.855,77 6.534,78 42.053,79 9.139,80 0.478,81 1.385,82 21.931,83 5.701,84 44.319,85 8.278,86 0.407,87 1.417,88 21.256,89 7.225,90 39.818,91 10.112,92 0.444,93 1.378,94 22.86,95 7.858,96 40.236,97 11.273,98 0.331,99 1.192,100 22.899,101 7.655,102 38.716,103 11.337,104 20,105 45,106 0.272,107 0.624,108 0.755,109 0.832,110 0.852,111 0.866,112 3.408,113 0.83,114 -4.36,115 -4.29,116 -4.05,119 39.6,120 1,124 1,142 8,144 2,146 1,149 1,150 2,152 1,159 1,162 1,163 1,164 1,165 1,172 5,174 6,175 4,177 2,178 6,179 1,180 4,183 4,187 4,192 4,195 3,198 3,199 12,201 2,202 4,204 5,209 1,212 10,216 1,217 4,223 1,224 8,226 1,227 2,228 1,229 2,231 1,232 5,234 1,237 6,240 3,241 1,242 2,245 10,247 2,250 3,255 3,258 7,260 3,262 2,263 2,266 4,268 4,271 2,273 2,275 1459,276 19.627,277 19.627,278 19.627,279 19.627,280 19.627,281 16.853,282 27.915,283 11.571,284 20.192,285 15.786,286 15.786,287 15.786,288 15.786,289 15.786,290 11.541,291 41.439,292 5.501,293 16.695,294 3.957,295 1.857,296 1.073,297 0.615,298 0.49,299 0.406,300 4.105,303 1,304 1,305 1,306 704,307 3.24,310 62.399,311 248.484,314 122.026,318 1.75,319 25.272,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 63.5,331 326,332 4.697,333 3.54,334 6.943,335 4.209,336 3.282,337 4.633,338 1.656,339 11.776,340 3.047,341 4.124,342 3.375,343 5.854,344 3.672,345 2.712,346 3.798,347 0.4,348 8.163,349 2.618,350 4.067,351 2.812,352 5.609,353 3.617,354 2.685,355 3.655,356 0.247,357 7.704,358 2.483,359 3.729,360 2.723,361 5.452,362 3.375,363 2.414,364 3.1,366 7.163,367 2.31,368 3.592,369 2.401,370 5.242,371 3.147,372 2.198,373 2.908,375 6.513,376 2.08,377 3.357,378 2.266,379 4.929,380 2.95,381 1.989,382 2.607,384 5.537,385 1.902,386 3.232,387 2.082,388 4.695,389 2.796,390 1.879,391 2.481,393 5.036,394 1.721,395 3.179,396 1.867,397 4.618,398 2.7,399 1.754,400 2.442,402 4.963,403 1.652,404 2.926,405 1.469,406 4.526,407 2.399,408 1.45,409 2.123,411 4.257,412 1.373,413 2.83,414 1.377,415 3.628,416 2.341,417 1.356,418 1.981,420 2.964,421 1.333,422 2.5,423 1.101,424 3.454,425 2,426 1,427 1.5,428 2.275,429 1,430 1.999,431 1,432 3.414,433 1.477,434 0.535,435 0.77,436 1.44,437 0.503,438 1.575,439 0.647,440 3.016,441 1.367,442 0.442,443 0.482,445 0.816,446 0.408,447 1.449,448 0.535,449 2.772,450 1.102,451 0.139,452 0.17,454 0.265,455 0.132,456 1.082,457 0.126,458 2.587,459 0.684,460 -0.284,461 -0.365,463 -0.737,464 -0.272,465 13.433,466 0.463,467 0.729,468 0.025,469 43.75,470 1.509,471 23,472 0.793,473 20.75,474 0.716,475 19.471,476 0.671,477 30.367,478 0.633,479 33.75,480 1.164,481 8.841,482 0.305,483 5.188,484 0.179,485 0.129,487 0.365,493 1.001,494 1.519,495 0.746,496 1.051,497 0.815,498 0.87,499 0.399,500 0.876,501 0.675,502 0.924,503 0.43,504 0.868,505 1.363,506 1.255,507 0.998,508 0.929,509 1.111,510 0.888,511 1.058,512 1.126,513 0.969,514 1.061,515 1.025,516 1.016,517 1.422,518 1.018,519 1.055,520 0.78,521 1.142,522 0.82,523 0.926,524 1.033,525 0.984,526 1.019,527 0.822,528 1.014,529 0.752,530 0.909,531 1.136,532 1.097,533 0.643,534 1.167,535 0.779,536 1.083,537 1.032,538 1.167,539 0.759,540 1.152,541 6.5,542 0.209,543 2.444,544 2.479,545 1.468,546 0.997,547 0.834,548 0.343,549 0.356,550 0.154,551 10473,552 31256,553 2.09,554 39.6,556 11,559 5,560 3,564 1.722,565 1.955,566 3.401,567 2.528,568 1,569 1,573 78.128,574 1.628,575 3.728,576 4.512,577 4.97,578 5.095,579 5.179,580 2.879,581 4.444,582 4.824,583 3.61,584 1465.76,585 8.42,586 19694.6,588 1,590 1,591 268.078,592 1.416,593 4.788,594 0.203,595 0.011,596 0.054,597 0.055,598 0.033,599 0.023,600 0.019,601 0.01,602 0.012,603 0.007,604 0.427,606 1,607 1.064,608 146.737,609 -0.184,610 -0.299,611 0.026,612 -0.059,613 -0.184,614 0.015,615 0.51,616 0.263,617 0.187,618 0.047,619 0.26,620 0.042,621 -0.313,622 -0.178,623 -0.078,624 0.005,625 -0.191,626 0.014,627 0.003,628 -0.072,629 -0.039,630 -0.109,631 -0.003,632 -0.095,633 -0.343,634 0.043,635 -0.109,636 0.138,637 -0.174,638 0.081,639 -0.064,640 0.016,641 -0.076,642 -0.018,643 -0.031,644 -0.047,645 -0.019,646 0.097,647 -0.204,648 -0.079,649 -0.051,650 -0.159,651 -0.042,652 -0.172,653 -0.04,654 -0.123,655 -0.045,656 -0.088,657 1.949,658 4.433,659 0.724,660 29.032,661 1.014,662 1.141,663 3.13,664 9.799,665 0.673,666 3.497,667 3.829,668 4.094,669 4.419,670 4.663,671 4.787,672 4.949,673 5.118,674 5.159,675 5.257,676 6.644,677 0.657,678 389.47,679 3.497,680 5.043,681 5.894,682 6.786,683 7.66,684 8.561,685 9.448,686 10.355,687 11.249,688 12.16,689 18.8,693 1,696 2,697 2,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,722 1,724 1,731 48,733 23,734 2,735 32,737 51,738 19,739 16,740 4,741 8,746 4,747 5,751 1,752 1,761 17,762 2,766 1,771 1,775 1,778 1,781 19,782 9,783 5,784 10,787 1,790 9,794 0.75,795 1,811 1,812 3,815 1,840 3,844 2,848 29,849 1,855 3,870 2.1,873 1,877 14.833,878 9.167,879 6.361,880 2.606,881 4.335,882 1.557,883 1.022,884 5.186,885 12.111,886 3.807,887 4.457,888 5.063,889 5.729,890 6.306,891 6.666,892 7.152,893 7.65,894 7.954,895 8.379,896 1,897 45,898 10.605,900 4.457,901 7.828,902 19.834,904 15.732,905 2.328,906 67.5,909 1,910 164.795,911 115.134,912 155.971,914 25.145,917 115.134,918 189.94,919 155.971,920 17.222,921 36.022,922 108.707,923 92.287,924 31.794,925 10.218,926 164.795,928 164.795,929 271.105,930 25.145,933 167.123,934 25.145,937 72.598,938 129.037,939 67.142,941 164.795,942 181.116,943 115.134,946 164.795,947 22.103,948 94.931,949 54.032,950 125.184,951 164.795,952 181.116,953 115.134,955 0.58,956 0.331,957 0.186,958 0.106,959 22,960 10,961 0.078,962 4,963 1,964 1.095,965 4.014,966 260.117,967 0.095,968 21,969 136.881,974 18.962,975 7.932,976 4.073,977 1.613,978 179.216,979 14.913,980 17.379,984 3.015,985 1.789,986 86.929,987 461.045,988 44,993 11.433,997 -0.282,999 48.662,1000 54.77,1001 0.291,1002 0.668,1003 0.808,1004 0.89,1005 0.912,1006 0.927,1007 5.034,1008 1.754,1009 5.883,1010 5.036,1011 4.511,1012 5.145,1013 1.812,1014 6.698,1015 4.399,1016 6.262,1017 1.45,1018 7.438,1019 4.963,1020 4.111,1021 4.997,1022 1.195,1023 7.585,1024 3.928,1025 7.579,1026 1.356,1027 9.089,1028 4.257,1029 6.103,1030 7.403,1031 2.419,1032 10.717,1033 5.865,1034 8.931,1035 1,1036 10.798,1037 2.964,1038 6.494,1039 8.067,1040 2.324,1041 12.495,1042 6.171,1043 10.312,1044 0.535,1045 12.548,1046 2.275,1047 7.976,1048 9.963,1049 3.244,1050 15.169,1051 7.603,1052 11.718,1053 0.442,1054 14.328,1055 1.44,1056 8.762,1057 11.047,1058 3.407,1059 17.358,1060 8.297,1061 13.143,1062 0.139,1063 16.134,1064 0.816,1065 10.039,1066 12.722,1067 4.156,1068 19.883,1069 9.519,1070 3.282,1071 -0.284,1072 17.961,1073 0.265,1074 11.024,1075 14.029,1076 4.464,1077 22.244,1078 10.412,1079 2.712,1080 11.776,1081 19.807,1082 -0.737,1083 12.223,1084 15.609,1085 5.111,1086 24.725,1087 11.549,1088 2.685,1089 8.163,1090 21.668,1091 4.633,1092 13.307,1093 17.027,1094 5.504,1095 27.151,1096 12.544,1097 2.414,1098 7.704,1099 23.542,1100 3.798,1101 14.481,1102 18.569,1103 6.091,1104 29.62,1105 13.649,1106 2.198,1107 7.163,1108 25.427,1109 3.655,1110 15.613,1111 20.043,1112 6.531,1113 32.071,1114 14.696,1115 1.989,1116 6.513,1117 27.322,1118 3.1,1119 16.783,1120 21.572,1121 7.083,1122 34.537,1123 15.792,1124 1.879,1125 5.537,1126 29.225,1127 2.908,1128 17.939,1129 23.074,1130 7.551,1131 36.997,1132 16.866,1133 10103,1134 17596,1135 21.383,1136 32.313,1137 48.013,1138 48.889,1139 49.636,1140 47.705,1141 47.672,1142 65.3,1143 4.606,1144 137.743,1145 45.126,1146 5.511,1147 5.54,1148 6.623,1149 5.309,1150 5.282,1151 7.633,1152 2.912,1153 18.981,1154 5.047,1155 14.5,1156 1.5,1157 1.528,1158 1.551,1159 1.491,1160 1.49,1161 2.041,1162 0.144,1163 4.304,1164 1.41,1165 4.137,1166 4.184,1167 4.116,1168 3.998,1169 7.431,1170 4.02,1171 3.905,1172 3.942,1173 3.85,1174 3.823,1175 5.27,1176 3.824,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 5.025,1182 3.606,1183 3.555,1184 3.625,1185 3.475,1186 3.266,1187 4.753,1188 3.307,1189 3.386,1190 3.452,1191 3.305,1192 3.189,1193 4.687,1194 3.213,1195 3.168,1196 3.276,1197 2.992,1198 2.921,1199 4.352,1200 2.925,1201 3.086,1202 3.178,1203 2.934,1204 2.848,1205 4.208,1206 2.856,1207 2.944,1208 3.023,1209 2.838,1210 2.781,1211 4.02,1212 2.781,1213 0.147,1214 0.111,1215 0.217,1216 0.132,1217 0.103,1218 4.697,1219 0.145,1220 3.54,1221 0.052,1222 6.943,1223 0.368,1224 4.209,1225 0.095,1226 3.282,1227 4.633,1228 1.656,1229 11.776,1230 3.047,1231 1.925,1232 1.894,1233 2.014,1234 2.062,1235 1.121,1236 2.04,1237 1.895,1238 1.864,1239 1.999,1240 2.008,1241 1.081,1242 2.006,1243 1.702,1244 1.64,1245 1.808,1246 1.922,1247 0.796,1248 1.898,1249 1.44,1250 1.366,1251 1.699,1252 1.761,1253 0.689,1254 1.738,1255 1.349,1256 1.277,1257 1.516,1258 1.611,1259 0.578,1260 1.585,1261 1.13,1262 1.033,1263 1.385,1264 1.439,1265 0.293,1266 1.451,1267 1.02,1268 0.939,1269 1.242,1270 1.323,1271 0.218,1272 1.313,1273 0.951,1274 0.892,1275 1.181,1276 1.182,1277 0.208,1278 1.172,1279 4.174,1281 5.501,1282 2.398,1283 7.017,1284 4.844,1285 8.621,1286 7.05,1287 10.276,1289 3.317,1293 5.824,1296 8.5,1305 31.541,1306 78.128,1307 178.959,1308 216.568,1309 238.568,1310 244.568,1311 248.568,1312 37.885,1313 7.776,1314 135.67,1315 135.67,1316 23,1317 12.678,1318 4.585,1319 3.7,1320 44.618,1321 111,1322 143,1323 0.192,1324 196.395,1325 322.97,1326 470.963,1327 25656,1329 20.38,1330 0.703,1331 0.546,1332 20.38,1333 15.84,1334 14.029,1335 0.438,1336 0.277,1337 8.687,1338 13.374,1339 8.471,1340 7.09,1341 14.029,1342 8.851,1343 12.831,1344 0.285,1345 0.138,1346 12.831,1347 6.207,1348 10.406,1349 0.176,1350 0.07,1351 10.406,1352 4.139,1353 9.109,1354 0.111,1355 0.035,1356 9.109,1357 2.86,1358 7.367,1359 0.07,1360 0.018,1361 7.367,1362 1.897,1363 0.299,1364 88.548,1365 0.216,1366 27.393,1367 0.533,1368 154,1369 474.272,1370 174.753,1371 465.977,1372 650.58,1373 436,1374 181,1375 502.89,1376 200.341,1377 506.548,1378 742.4,1379 477,1380 8.222}
{0 CHEMBL1760155,1 1.616,2 10.5,3 2.707,4 7.328,5 103.864,6 8.14,7 0.71,8 3.96,9 4.094,10 3.599,11 3.457,12 5.173,13 3.476,14 4.427,15 4.602,16 3.984,17 3.811,18 5.684,19 3.811,20 4.61,21 4.81,22 3.967,23 3.881,24 5.771,25 3.881,26 4.618,27 4.827,28 3.986,29 3.894,30 5.778,31 3.869,32 4.644,33 4.856,34 3.95,35 3.902,36 5.811,37 3.888,38 4.667,39 4.886,40 3.946,41 3.948,42 5.802,43 3.904,44 4.641,45 4.868,46 3.79,47 3.914,48 5.734,49 3.837,50 4.574,51 4.816,52 3.593,53 3.787,54 5.608,55 3.685,56 0.088,57 0.787,58 8.023,59 3.192,60 10.078,61 4.148,62 0.35,63 1.189,64 14.655,65 5.765,66 26.086,67 7.73,68 0.401,69 1.333,70 19.339,71 5.333,72 43.389,73 7.242,74 0.361,75 1.344,76 19.429,77 6.678,78 28.983,79 9.338,80 0.426,81 1.353,82 20.489,83 5.73,84 41.655,85 7.9,86 0.39,87 1.366,88 21.372,89 7.267,90 40.882,91 10.119,92 0.397,93 1.306,94 20.763,95 7.044,96 37.546,97 9.929,98 0.29,99 1.152,100 20.458,101 7.106,102 35.089,103 10.155,104 19,105 44,106 0.272,107 0.611,108 0.721,109 0.823,110 0.845,111 0.86,112 3.375,113 0.832,114 -4.69,115 -4.6,116 -4.33,119 41.3,120 2,142 8,144 2,146 1,149 1,150 2,152 1,158 1,162 1,163 1,164 1,165 1,172 5,174 6,175 5,177 2,178 5,180 5,183 4,187 4,192 4,195 3,198 3,199 12,201 2,202 4,204 3,207 2,209 1,212 10,216 1,217 2,220 2,223 1,224 8,226 1,227 2,228 1,229 2,231 1,232 5,234 1,237 6,240 3,242 3,245 10,247 2,250 3,255 3,258 7,260 3,262 2,263 4,266 2,268 4,271 2,273 2,275 1314,276 18.756,277 18.756,278 18.756,279 18.756,280 18.756,281 15.93,282 26.194,283 11.096,284 19.222,285 15.375,286 15.375,287 15.375,288 15.375,289 15.375,290 11.134,291 40.368,292 5.356,293 16.192,294 3.908,295 1.902,296 1.25,297 0.642,298 0.511,299 0.424,300 4.071,303 1,304 1,305 1,306 636,307 3.082,310 58.848,311 235.761,314 115.242,318 1.607,319 24.758,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 61,331 294,332 4.697,333 3.533,334 6.943,335 4.209,336 3.282,337 4.633,338 1.907,339 11.776,340 3.047,341 4.124,342 3.375,343 5.854,344 3.665,345 2.708,346 3.798,347 0.4,348 8.163,349 2.617,350 4.063,351 2.812,352 5.601,353 3.617,354 2.679,355 3.654,356 0.149,357 7.675,358 2.483,359 3.706,360 2.722,361 5.428,362 3.347,363 2.382,364 3.097,366 7.085,367 2.295,368 3.567,369 2.4,370 5.222,371 3.132,372 2.181,373 2.875,375 6.476,376 2.07,377 3.319,378 2.265,379 4.902,380 2.898,381 1.916,382 2.569,384 5.438,385 1.872,386 3.232,387 2.082,388 4.618,389 2.796,390 1.879,391 2.481,393 4.963,394 1.721,395 3.166,396 1.867,397 4.526,398 2.689,399 1.727,400 2.4,402 4.472,403 1.647,404 2.926,405 1.469,406 4.392,407 2.399,408 1.449,409 2.123,411 4.256,412 1.373,413 2.83,414 1.377,415 3.628,416 2.34,417 1.355,418 1.98,420 2.963,421 1.332,422 2.5,423 1,424 3.452,425 2,426 1,427 1.5,428 2.275,429 1,430 1.999,431 0.721,432 3.414,433 1.475,434 0.531,435 0.769,436 1.437,437 0.5,438 1.523,439 0.556,440 2.969,441 1.189,442 0.237,443 0.29,445 0.597,446 0.224,447 1.082,448 0.301,449 2.632,450 0.711,451 -0.238,452 -0.293,454 -0.662,455 -0.225,456 1,457 -0.048,458 2.456,459 0.572,460 -0.347,461 -0.445,463 -0.891,464 -0.318,465 13.033,466 0.465,467 0.767,468 0.027,469 42.75,470 1.527,471 23,472 0.821,473 19.75,474 0.705,475 18.814,476 0.672,477 28.967,478 0.63,479 32.063,480 1.145,481 8.525,482 0.304,483 4.967,484 0.177,485 0.133,487 0.376,493 0.946,494 1.453,495 0.732,496 1.031,497 0.802,498 0.863,499 0.398,500 0.972,501 0.64,502 0.989,503 0.425,504 0.888,505 1.577,506 1.198,507 1.106,508 0.866,509 1.36,510 0.885,511 0.728,512 1.118,513 0.858,514 1.078,515 0.516,516 1.004,517 1.435,518 1.039,519 1.113,520 0.844,521 1.162,522 0.89,523 0.893,524 0.989,525 0.931,526 0.958,527 0.79,528 0.952,529 0.844,530 0.928,531 1.146,532 1.04,533 0.654,534 1.117,535 0.86,536 1.082,537 1.118,538 1.177,539 0.81,540 1.19,541 6.5,542 0.209,543 2.222,544 2.479,545 1.468,546 0.997,547 0.813,548 0.315,549 0.356,550 0.154,551 9400,552 27769,553 2.094,554 39.1,556 8,559 4,560 6,564 1.714,565 1.953,566 3.321,567 1.733,568 1,569 1,573 74.315,574 1.616,575 3.621,576 4.273,577 4.882,578 5.012,579 5.099,580 2.751,581 4.379,582 4.773,583 3.532,584 1335.1,585 8.325,586 17357.1,588 1,590 1,591 254.084,592 1.432,593 4.736,594 0.21,595 0.012,596 0.051,597 0.058,598 0.034,599 0.024,600 0.019,601 0.009,602 0.013,603 0.007,604 0.436,606 1,607 0.916,608 139.447,609 -0.154,610 -0.262,611 0.03,612 -0.052,613 -0.179,614 0.014,615 0.482,616 0.147,617 0.215,618 -0.021,619 0.254,620 0.022,621 -0.415,622 -0.112,623 -0.183,624 0.037,625 -0.315,626 -0.016,627 0.153,628 -0.067,629 0.062,630 -0.12,631 0.144,632 -0.064,633 -0.346,634 0.032,635 -0.176,636 0.067,637 -0.199,639 -0.017,640 0.022,641 0.01,642 0.029,643 0.004,644 0.021,645 -0.072,646 0.088,647 -0.214,648 -0.055,649 -0.055,650 -0.138,651 -0.103,652 -0.144,653 -0.142,654 -0.153,655 -0.095,656 -0.154,657 1.787,658 4.176,659 0.75,660 26.418,661 1.012,662 1.136,663 3.455,664 11.938,665 0.681,666 3.466,667 3.807,668 4.06,669 4.407,670 4.644,671 4.771,672 4.934,673 5.094,674 5.136,675 5.236,676 6.334,677 0.663,678 374.45,679 3.466,680 5.017,681 5.866,682 6.763,683 7.636,684 8.541,685 9.427,686 10.337,687 11.232,688 12.145,689 17.4,693 1,696 1,697 2,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,722 1,724 1,731 46,733 23,734 2,735 31,737 49,738 19,739 16,740 4,741 8,746 4,747 5,752 2,761 17,762 2,766 1,771 1,775 1,777 1,778 1,781 18,782 8,783 4,784 9,787 1,790 8,794 0.75,795 1,811 1,812 3,815 1,826 1,840 3,844 2,848 28,849 1,855 2,870 2.2,873 1,877 14.333,878 8.917,879 6.028,880 2.543,881 4.329,882 1.562,883 1.024,884 4.737,885 12.033,886 3.784,887 4.446,888 5.044,889 5.726,890 6.301,891 6.661,892 7.146,893 7.642,894 7.946,895 8.374,896 0.857,897 43,898 10.244,900 4.324,901 7.821,902 19.202,904 15.342,905 2.321,906 65,909 1,910 164.795,911 115.992,912 137.96,914 25.145,917 115.992,918 189.94,919 137.96,920 17.65,921 18.011,922 108.707,923 96.992,924 31.794,925 5.942,926 164.795,928 164.795,929 253.952,930 25.145,933 167.123,934 25.145,937 63.412,938 121.069,939 67.142,941 164.795,942 163.105,943 115.992,946 164.795,947 22.532,948 95.359,949 36.022,950 125.184,951 164.795,952 163.105,953 115.992,955 0.583,956 0.322,957 0.19,958 0.107,959 22,960 10,961 0.082,962 4,963 1,964 1.095,965 3.919,966 249.75,967 0.095,968 21,969 130.606,974 18.046,975 7.35,976 3.863,977 1.626,978 161.206,979 14.993,980 17.369,984 3.1,985 1.794,986 68.919,987 443.892,988 43,993 11.176,997 -0.12,999 46.56,1000 52.272,1001 0.292,1002 0.656,1003 0.774,1004 0.884,1005 0.907,1006 0.923,1007 5.014,1008 1.727,1009 5.861,1010 4.963,1011 4.489,1012 5.133,1013 1.997,1014 6.678,1015 4.384,1016 6.249,1017 1.449,1018 7.415,1019 4.472,1020 4.111,1021 4.997,1022 1.593,1023 7.567,1024 3.94,1025 7.567,1026 1.355,1027 9.066,1028 4.256,1029 6.08,1030 7.395,1031 2.907,1032 10.702,1033 5.852,1034 8.919,1035 1,1036 10.776,1037 2.963,1038 6.479,1039 8.061,1040 3.032,1041 12.484,1042 6.168,1043 10.301,1044 0.531,1045 12.527,1046 2.275,1047 7.957,1048 9.957,1049 4.038,1050 15.161,1051 7.593,1052 11.706,1053 0.237,1054 14.309,1055 1.437,1056 8.746,1057 11.043,1058 4.409,1059 17.353,1060 8.29,1061 13.132,1062 -0.238,1063 16.117,1064 0.597,1065 10.023,1066 12.719,1067 5.25,1068 19.879,1069 9.512,1070 3.282,1071 -0.347,1072 17.946,1073 -0.662,1074 11.012,1075 14.026,1076 5.75,1077 22.242,1078 10.407,1079 2.708,1080 11.776,1081 19.794,1082 -0.891,1083 12.211,1084 15.607,1085 6.501,1086 24.723,1087 11.544,1088 2.679,1089 8.163,1090 21.657,1091 4.633,1092 13.298,1093 17.026,1094 7.068,1095 27.15,1096 12.539,1097 2.382,1098 7.675,1099 23.533,1100 3.798,1101 14.472,1102 18.568,1103 7.771,1104 29.619,1105 13.645,1106 2.181,1107 7.085,1108 25.42,1109 3.654,1110 15.606,1111 20.043,1112 8.374,1113 32.07,1114 14.692,1115 1.916,1116 6.476,1117 27.316,1118 3.097,1119 16.777,1120 21.572,1121 9.051,1122 34.537,1123 15.79,1124 1.879,1125 5.438,1126 29.22,1127 2.875,1128 17.934,1129 23.074,1130 9.674,1131 36.997,1132 16.864,1133 9050,1134 15696,1135 20.69,1136 31.307,1137 47.239,1138 47.392,1139 48.092,1140 46.685,1141 46.652,1142 64.34,1143 4.912,1144 135.15,1145 44.366,1146 5.493,1147 5.533,1148 6.623,1149 5.309,1150 5.282,1151 7.633,1152 3.306,1153 18.981,1154 5.047,1155 14.123,1156 1.524,1157 1.529,1158 1.551,1159 1.506,1160 1.505,1161 2.075,1162 0.158,1163 4.36,1164 1.431,1165 4.137,1166 4.184,1167 4.116,1168 3.999,1169 7.43,1170 4.02,1171 3.906,1172 3.941,1173 3.849,1174 3.824,1175 5.27,1176 3.825,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 5.025,1182 3.606,1183 3.535,1184 3.584,1185 3.447,1186 3.305,1187 4.752,1188 3.331,1189 3.378,1190 3.44,1191 3.297,1192 3.197,1193 4.687,1194 3.216,1195 3.167,1196 3.275,1197 2.991,1198 2.918,1199 4.348,1200 2.923,1201 2.988,1202 3.076,1203 2.885,1204 2.791,1205 4.03,1206 2.801,1207 2.921,1208 2.995,1209 2.812,1210 2.771,1211 3.989,1212 2.77,1213 0.152,1214 0.114,1215 0.224,1216 0.136,1217 0.106,1218 4.697,1219 0.149,1220 3.533,1221 0.062,1222 6.943,1223 0.38,1224 4.209,1225 0.098,1226 3.282,1227 4.633,1228 1.907,1229 11.776,1230 3.047,1231 1.925,1232 1.894,1233 2.014,1234 2.062,1235 1.121,1236 2.04,1237 1.897,1238 1.866,1239 2.001,1240 2.007,1241 1.083,1242 2.007,1243 1.703,1244 1.64,1245 1.808,1246 1.922,1247 0.796,1248 1.898,1249 1.46,1250 1.405,1251 1.706,1252 1.725,1253 0.718,1254 1.711,1255 1.345,1256 1.279,1257 1.513,1258 1.592,1259 0.575,1260 1.572,1261 1.127,1262 1.03,1263 1.378,1264 1.439,1265 0.268,1266 1.448,1267 0.965,1268 0.901,1269 1.181,1270 1.219,1271 0.218,1272 1.213,1273 0.908,1274 0.842,1275 1.166,1276 1.127,1277 0.199,1278 1.134,1279 4.143,1281 5.476,1282 2.398,1283 6.993,1284 4.844,1285 8.6,1286 7.05,1287 10.257,1289 3.228,1293 5.818,1296 6.016,1305 30.52,1306 74.315,1307 166.574,1308 196.574,1309 224.574,1310 230.574,1311 234.574,1312 36.327,1313 7.704,1314 123.64,1315 123.64,1316 23,1317 12.662,1318 4.585,1319 3.7,1320 42.28,1321 102,1322 124,1323 0.198,1324 189.601,1325 311.97,1326 454.385,1327 23209,1329 19.673,1330 0.703,1331 0.548,1332 19.673,1333 15.34,1334 13.491,1335 0.435,1336 0.277,1337 8.462,1338 12.906,1339 8.23,1340 6.874,1341 13.491,1342 8.601,1343 12.711,1344 0.289,1345 0.141,1346 12.711,1347 6.184,1348 9.779,1349 0.172,1350 0.07,1351 9.779,1352 3.975,1353 9.04,1354 0.112,1355 0.035,1356 9.04,1357 2.869,1358 7.2,1359 0.07,1360 0.018,1361 7.2,1362 1.867,1363 0.307,1364 84.763,1365 0.22,1366 26.492,1367 0.558,1368 150,1369 455.939,1370 169.199,1371 449.071,1372 627.18,1373 420,1374 176,1375 485.481,1376 193.676,1377 489.217,1378 715.58,1379 461,1380 7.638}
{0 CHEMBL1760156,1 1.616,2 9.714,3 2.707,4 7.328,5 103.864,6 8.14,7 0.71,8 3.96,9 4.094,10 3.599,11 3.457,12 5.173,13 3.476,14 4.427,15 4.602,16 3.984,17 3.811,18 5.684,19 3.811,20 4.61,21 4.81,22 3.967,23 3.881,24 5.768,25 3.881,26 4.618,27 4.827,28 4.007,29 3.895,30 5.783,31 3.875,32 4.651,33 4.859,34 3.972,35 3.914,36 5.82,37 3.908,38 4.703,39 4.922,40 4.018,41 3.983,42 5.867,43 3.942,44 4.693,45 4.912,46 3.842,47 3.956,48 5.799,49 3.895,50 4.647,51 4.89,52 3.724,53 3.865,54 5.72,55 3.762,56 0.088,57 0.787,58 8.023,59 3.192,60 10.078,61 4.148,62 0.35,63 1.189,64 14.655,65 5.765,66 26.09,67 7.73,68 0.401,69 1.333,70 19.339,71 5.333,72 43.398,73 7.242,74 0.367,75 1.351,76 19.44,77 6.737,78 28.873,79 9.432,80 0.433,81 1.38,82 20.286,83 5.368,84 41.154,85 7.357,86 0.432,87 1.418,88 22.198,89 7.793,90 41.466,91 10.935,92 0.413,93 1.379,94 21.63,95 6.773,96 43.481,97 9.313,98 0.362,99 1.235,100 22.258,101 8.182,102 38.897,103 11.843,104 19,105 44,106 0.272,107 0.611,108 0.732,109 0.857,110 0.882,111 0.889,112 3.375,113 0.832,114 -4.69,115 -4.6,116 -4.33,119 41.3,120 2,142 8,144 2,146 1,149 1,150 2,152 1,158 1,162 1,163 1,164 1,165 1,172 5,174 6,175 5,177 2,178 5,180 5,183 5,187 4,192 2,195 2,198 3,199 12,201 2,202 4,203 1,204 5,207 2,209 1,212 7,217 2,220 1,223 1,224 11,226 1,227 5,228 1,229 3,231 1,232 6,234 1,237 4,242 2,245 8,247 2,249 2,250 7,253 2,255 5,258 7,260 3,263 1,268 3,271 3,273 1,275 1282,276 18.756,277 18.756,278 18.756,279 18.756,280 18.756,281 15.93,282 26.194,283 11.133,284 19.222,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 11.14,291 42.868,292 5.378,293 16.206,294 3.908,295 1.902,296 1.18,297 0.441,298 0.294,299 0.25,300 4.071,303 1,304 1,305 1,306 587,307 3.082,310 56.242,311 231.143,314 110.691,318 1.398,319 25.102,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 61,331 272,332 4.697,333 3.533,334 6.943,335 4.209,336 3.283,337 4.633,338 1.907,339 11.777,340 3.048,341 4.125,342 3.375,343 5.855,344 3.699,345 2.731,346 3.798,347 0.4,348 8.165,349 2.648,350 4.093,351 2.82,352 5.677,353 3.617,354 2.69,355 3.688,356 0.149,357 7.964,358 2.483,359 3.677,360 2.747,361 5.427,362 3.304,363 2.338,364 3.082,366 6.995,367 2.256,368 3.549,369 2.368,370 5.164,371 3.128,372 2.171,373 2.811,375 6.329,376 2.07,377 3.303,378 2.229,379 4.872,380 2.874,381 1.907,382 2.569,384 5.39,385 1.834,386 3.232,387 2.081,388 4.618,389 2.796,390 1.879,391 2.481,393 4.963,394 1.72,395 3.12,396 1.835,397 4.526,398 2.653,399 1.68,400 2.336,402 4.37,403 1.621,404 2.926,405 1.469,406 4.358,407 2.399,408 1.449,409 2.122,411 4.252,412 1.373,413 2.83,414 1.382,415 3.628,416 2.342,417 1.356,418 1.98,420 2.965,421 1.335,422 2.653,423 1.216,424 3.499,425 2.168,426 1.174,427 1.723,428 2.6,429 1.166,430 1.998,431 0.605,432 3.434,433 1.47,434 0.526,435 0.766,436 1.421,437 0.496,438 1.298,439 0.559,440 2.927,441 0.94,447 1.171,448 0.144,449 2.608,450 0.822,451 -0.154,452 -0.186,454 -0.399,455 -0.149,456 1,457 0.027,458 2.518,459 0.572,460 -0.347,461 -0.445,463 -0.891,464 -0.318,465 13.033,466 0.465,467 0.767,468 0.027,469 42.75,470 1.527,471 23,472 0.821,473 19.75,474 0.705,475 19.001,476 0.679,477 28.967,478 0.63,479 32.315,480 1.154,481 8.525,482 0.304,483 4.967,484 0.177,485 0.133,487 0.376,493 0.946,494 1.453,495 0.732,496 1.031,497 0.802,498 0.863,499 0.398,500 0.972,501 0.64,502 0.989,503 0.424,504 0.888,505 1.577,506 1.198,507 1.106,508 0.866,509 1.371,510 0.885,511 0.668,512 1.113,513 0.807,514 1.071,515 0.481,516 0.982,517 1.582,518 1.079,519 1.179,520 0.828,521 1.231,522 0.89,523 0.672,524 0.96,525 0.823,526 0.968,527 0.63,528 0.933,529 1.281,530 0.991,531 1.283,532 1.007,533 1.068,534 1.109,535 0.476,536 1.031,537 0.934,538 1.176,539 0.547,540 1.149,541 6.5,542 0.124,543 2,544 2.729,545 1.308,546 1.053,547 0.692,548 0.458,549 0.269,550 0.279,551 9064,552 26649,553 2.094,554 39.1,556 8,559 4,560 6,564 1.717,565 1.953,566 3.254,567 1.733,568 1,569 1,573 74.315,574 1.616,575 3.621,576 4.344,577 5.083,578 5.23,579 5.273,580 2.652,581 4.522,582 4.777,583 3.432,584 1297.31,585 8.344,586 16796.9,588 1,590 1,591 254.084,592 1.432,593 4.736,594 0.21,595 0.007,596 0.045,597 0.063,598 0.03,599 0.024,600 0.015,601 0.012,602 0.008,603 0.012,604 0.428,606 1,607 0.916,608 138.527,609 -0.154,610 -0.262,611 0.03,612 -0.052,613 -0.179,614 0.014,615 0.482,616 0.147,617 0.215,618 -0.021,619 0.255,620 0.022,621 -0.415,622 -0.112,623 -0.183,624 0.037,625 -0.326,626 -0.016,627 0.215,628 -0.062,629 0.114,630 -0.112,631 0.18,632 -0.041,633 -0.453,634 0.019,635 -0.253,636 0.06,637 -0.273,638 -0.028,639 0.188,640 0.045,641 0.121,642 0.026,643 0.149,644 0.05,645 -0.358,646 0.046,647 -0.354,648 -0.05,649 -0.257,650 -0.169,651 0.234,652 -0.113,653 0.049,654 -0.129,655 0.143,656 -0.086,657 1.805,658 4.321,659 0.75,660 24.286,661 1.012,662 1.136,663 3.455,664 11.938,665 0.681,666 3.466,667 3.807,668 4.06,669 4.419,670 4.644,671 4.787,672 4.927,673 5.118,674 5.142,675 5.247,676 6.041,677 0.663,678 374.45,679 3.466,680 5.017,681 5.866,682 6.765,683 7.638,684 8.546,685 9.431,686 10.345,687 11.238,688 12.154,689 17.4,693 1,696 1,697 2,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,722 1,724 1,731 46,733 23,734 2,735 31,737 49,738 19,739 16,740 4,741 8,746 4,747 5,752 2,761 17,762 2,766 1,771 1,775 1,777 1,778 1,781 18,782 8,783 4,784 9,787 1,790 8,794 0.75,795 1,811 1,812 3,815 1,826 1,840 3,844 2,848 28,849 1,855 2,870 2.2,873 1,877 14.333,878 8.917,879 6.028,880 2.543,881 4.362,882 1.566,883 1.024,884 4.737,885 12.066,886 3.784,887 4.446,888 5.044,889 5.734,890 6.297,891 6.67,892 7.138,893 7.655,894 7.947,895 8.373,896 1,897 43,898 10.248,900 4.329,901 7.821,902 19.202,904 15.342,905 2.321,906 65,909 1,910 164.795,911 115.992,912 137.96,914 25.145,917 115.992,918 189.94,919 137.96,920 17.65,921 18.011,922 108.707,923 96.992,924 31.794,925 5.942,926 164.795,928 164.795,929 253.952,930 25.145,933 167.123,934 25.145,937 63.412,938 121.069,939 67.142,941 164.795,942 163.105,943 115.992,946 164.795,947 22.532,948 95.359,949 36.022,950 125.184,951 164.795,952 163.105,953 115.992,955 0.582,956 0.321,957 0.192,958 0.107,959 22,960 10,961 0.082,962 4,963 1,964 1.095,965 3.882,966 251.979,967 0.095,968 21,969 134.606,974 18.046,975 7.35,976 3.863,977 1.604,978 161.206,979 15.003,980 17.373,984 2.977,985 1.783,986 68.919,987 443.892,988 43,993 11.321,997 -0.138,999 46.56,1000 52.272,1001 0.292,1002 0.656,1003 0.786,1004 0.92,1005 0.947,1006 0.955,1007 5.014,1008 1.68,1009 5.861,1010 4.963,1011 4.489,1012 5.133,1013 1.997,1014 6.681,1015 4.384,1016 6.249,1017 1.449,1018 7.415,1019 4.37,1020 4.111,1021 4.997,1022 1.593,1023 7.567,1024 3.94,1025 7.567,1026 1.356,1027 9.067,1028 4.252,1029 6.08,1030 7.395,1031 2.907,1032 10.711,1033 5.852,1034 8.919,1035 1.174,1036 10.777,1037 2.965,1038 6.479,1039 8.061,1040 3.032,1041 12.49,1042 6.168,1043 10.301,1044 0.526,1045 12.529,1046 2.6,1047 7.959,1048 9.959,1049 4.038,1050 15.171,1051 7.596,1052 11.707,1054 14.312,1055 1.421,1056 8.751,1057 11.046,1058 4.409,1059 17.36,1060 8.296,1061 13.133,1062 -0.154,1063 16.121,1065 10.029,1066 12.723,1067 5.25,1068 19.887,1069 9.519,1070 3.283,1071 -0.347,1072 17.951,1073 -0.399,1074 11.02,1075 14.032,1076 5.75,1077 22.247,1078 10.417,1079 2.731,1080 11.777,1081 19.799,1082 -0.891,1083 12.22,1084 15.612,1085 6.501,1086 24.728,1087 11.555,1088 2.69,1089 8.165,1090 21.663,1091 4.633,1092 13.307,1093 17.031,1094 7.068,1095 27.154,1096 12.553,1097 2.338,1098 7.964,1099 23.539,1100 3.798,1101 14.482,1102 18.573,1103 7.771,1104 29.622,1105 13.659,1106 2.171,1107 6.995,1108 25.426,1109 3.688,1110 15.615,1111 20.047,1112 8.374,1113 32.073,1114 14.708,1115 1.907,1116 6.329,1117 27.322,1118 3.082,1119 16.786,1120 21.576,1121 9.051,1122 34.538,1123 15.805,1124 1.879,1125 5.39,1126 29.225,1127 2.811,1128 17.943,1129 23.077,1130 9.674,1131 36.998,1132 16.879,1133 8738,1134 15128,1135 20.69,1136 31.307,1137 47.118,1138 47.273,1139 48.051,1140 46.401,1141 46.373,1142 63.981,1143 4.912,1144 134.378,1145 44.098,1146 5.498,1147 5.533,1148 6.624,1149 5.309,1150 5.283,1151 7.633,1152 3.306,1153 18.982,1154 5.048,1155 13.97,1156 1.52,1157 1.525,1158 1.55,1159 1.497,1160 1.496,1161 2.064,1162 0.158,1163 4.335,1164 1.423,1165 4.137,1166 4.184,1167 4.116,1168 3.999,1169 7.43,1170 4.02,1171 3.906,1172 3.941,1173 3.849,1174 3.824,1175 5.27,1176 3.825,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 5.025,1182 3.606,1183 3.53,1184 3.579,1185 3.439,1186 3.299,1187 4.752,1188 3.324,1189 3.384,1190 3.446,1191 3.303,1192 3.204,1193 4.687,1194 3.223,1195 3.167,1196 3.275,1197 2.991,1198 2.919,1199 4.346,1200 2.923,1201 2.983,1202 3.07,1203 2.881,1204 2.792,1205 4.024,1206 2.8,1207 2.918,1208 2.997,1209 2.806,1210 2.77,1211 3.99,1212 2.769,1213 0.152,1214 0.114,1215 0.224,1216 0.136,1217 0.106,1218 4.697,1219 0.149,1220 3.533,1221 0.062,1222 6.943,1223 0.38,1224 4.209,1225 0.098,1226 3.283,1227 4.633,1228 1.907,1229 11.777,1230 3.048,1231 1.925,1232 1.894,1233 2.014,1234 2.063,1235 1.121,1236 2.04,1237 1.897,1238 1.866,1239 2.001,1240 2.007,1241 1.083,1242 2.007,1243 1.702,1244 1.64,1245 1.808,1246 1.922,1247 0.796,1248 1.898,1249 1.455,1250 1.401,1251 1.706,1252 1.719,1253 0.717,1254 1.707,1255 1.352,1256 1.285,1257 1.515,1258 1.599,1259 0.576,1260 1.578,1261 1.127,1262 1.031,1263 1.38,1264 1.439,1265 0.265,1266 1.449,1267 0.965,1268 0.902,1269 1.183,1270 1.214,1271 0.226,1272 1.207,1273 0.907,1274 0.84,1275 1.163,1276 1.146,1277 0.196,1278 1.166,1279 4.143,1281 5.476,1282 2.398,1283 6.993,1284 4.844,1285 8.601,1286 7.05,1287 10.26,1289 3.22,1293 5.822,1296 6.035,1305 30.52,1306 74.315,1307 166.574,1308 199.819,1309 233.819,1310 240.574,1311 242.574,1312 36.62,1313 7.704,1314 123.64,1315 123.64,1316 23,1317 12.67,1318 4.585,1319 3.7,1320 42.125,1321 98,1322 110,1323 0.206,1324 189.601,1325 311.97,1326 454.385,1327 23209,1329 19.673,1330 0.703,1331 0.548,1332 19.673,1333 15.34,1334 13.491,1335 0.435,1336 0.277,1337 8.462,1338 12.906,1339 8.23,1340 6.875,1341 13.491,1342 8.601,1343 12.723,1344 0.289,1345 0.141,1346 12.723,1347 6.187,1348 9.704,1349 0.17,1350 0.069,1351 9.704,1352 3.953,1353 9.168,1354 0.112,1355 0.035,1356 9.168,1357 2.907,1358 7.129,1359 0.069,1360 0.018,1361 7.129,1362 1.855,1363 0.316,1364 84.763,1365 0.22,1366 26.277,1367 0.592,1368 150,1369 455.939,1370 169.199,1371 449.135,1372 627.2,1373 420,1374 176,1375 485.481,1376 193.676,1377 489.353,1378 715.84,1379 461,1380 6.201}
{0 CHEMBL1760157,1 1.503,2 8.963,3 3.88,4 15.055,5 101.868,6 8.289,7 0.839,8 3.917,9 4.05,10 3.585,11 3.451,12 5.102,13 3.468,14 4.386,15 4.55,16 3.984,17 3.839,18 5.592,19 3.837,20 4.56,21 4.763,22 3.951,23 3.89,24 5.646,25 3.877,26 4.564,27 4.77,28 3.941,29 3.859,30 5.685,31 3.828,32 4.559,33 4.788,34 3.869,35 3.805,36 5.644,37 3.796,38 4.547,39 4.758,40 3.93,41 3.886,42 5.68,43 3.854,44 4.58,45 4.792,46 3.82,47 3.897,48 5.672,49 3.844,50 4.557,51 4.792,52 3.659,53 3.843,54 5.569,55 3.743,56 0.067,57 0.762,58 7.209,59 2.956,60 8.408,61 3.649,62 0.287,63 1.194,64 12.836,65 5.388,66 21.113,67 6.967,68 0.253,69 1.328,70 17.324,71 5.523,72 22.774,73 7.271,74 0.322,75 1.325,76 17.478,77 6.371,78 25.153,79 8.612,80 0.355,81 1.294,82 18.769,83 4.878,84 30.104,85 6.489,86 0.321,87 1.291,88 17.724,89 6.372,90 27.628,91 8.59,92 0.278,93 1.302,94 18.07,95 6.086,96 29.724,97 7.99,98 0.244,99 1.191,100 19.294,101 7.444,102 28.074,103 10.284,104 5,105 45,106 0.254,107 0.614,108 0.774,109 0.876,110 0.892,111 0.892,112 3.341,113 0.82,114 -5.02,115 -4.92,116 -4.61,119 44.2,120 1,142 8,143 1,144 1,146 1,149 1,150 2,151 1,152 2,162 1,163 1,164 1,165 1,172 6,174 6,175 4,177 2,178 4,180 5,183 6,187 4,192 2,195 4,198 3,199 10,201 2,202 4,203 1,204 5,209 1,212 6,217 3,223 1,224 10,226 1,227 4,228 1,229 2,231 1,232 5,234 1,237 6,242 2,245 8,247 2,250 5,253 2,255 5,258 7,260 3,263 3,268 3,271 5,273 1,275 1114,276 18.549,277 18.549,278 18.549,279 18.549,280 18.549,281 15.517,282 19.355,283 10.854,284 19.056,285 15.38,286 15.38,287 15.38,288 15.38,289 15.38,290 10.817,291 30.609,292 5.22,293 16.255,294 3.924,295 1.797,296 0.855,297 0.25,298 0.157,299 0.157,300 4.054,303 1,304 1,305 1,306 545,307 2.449,310 106.321,311 194.832,314 193.848,318 1.232,319 18.15,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58,331 242,332 4.698,333 3.376,334 6.943,335 4.21,336 3.283,337 4.634,338 0.4,339 11.777,340 3.049,341 4.423,342 2.962,343 6.195,344 3.918,345 2.938,346 4.365,348 9.263,349 2.879,350 4.124,351 2.795,352 5.854,353 3.618,354 2.697,355 3.798,357 8.163,358 2.483,359 3.743,360 2.507,361 5.521,362 3.337,363 2.381,364 3.178,366 7.32,367 2.271,368 3.548,369 2.281,370 5.249,371 3.098,372 2.157,373 2.952,375 6.498,376 2.028,377 3.232,378 2.082,379 4.905,380 2.796,381 1.879,382 2.529,384 5.414,385 1.722,386 3.223,387 1.873,388 4.618,389 2.731,390 1.795,391 2.481,393 4.963,394 1.675,395 3.034,396 1.534,397 4.526,398 2.509,399 1.534,400 2.301,402 4.259,403 1.494,404 2.927,405 1.469,406 4.363,407 2.4,408 1.45,409 2.125,411 4.202,412 1.375,413 2.838,414 1.379,415 3.631,416 2.347,417 1.362,418 1.994,420 2.968,421 1.34,422 2.584,423 1.106,424 3.482,425 2.061,426 1.095,427 1.624,428 2.447,429 1.055,430 2.004,431 0.582,432 3.419,433 1.489,434 0.54,435 0.779,436 1.446,437 0.511,438 1.949,439 0.494,440 3.081,441 1.433,442 0.471,443 0.69,445 1.154,446 0.453,447 1.265,448 0.075,449 2.894,450 0.892,451 -0.047,452 -0.061,454 -0.136,455 -0.044,456 1,457 -0.126,458 2.614,459 0.572,460 -0.347,461 -0.445,463 -0.891,464 -0.318,465 12.7,466 0.47,467 0.674,468 0.025,469 42.5,470 1.574,471 23,472 0.852,473 19.5,474 0.722,475 17.385,476 0.644,477 26.9,478 0.626,479 30.211,480 1.119,481 8.377,482 0.31,483 4.793,484 0.178,485 0.071,487 0.386,493 1.118,494 1.358,495 0.714,496 0.936,497 1.164,498 0.789,499 0.45,500 0.911,501 0.676,502 0.945,503 0.414,504 0.868,505 1.422,506 1.21,507 1.016,508 0.94,509 1.153,510 0.914,511 0.754,512 1.124,513 0.924,514 1.142,515 0.629,516 1.078,517 1.797,518 1.041,519 1.129,520 0.734,521 1.451,522 0.799,523 0.837,524 0.909,525 0.863,526 0.907,527 0.743,528 0.893,529 1.385,530 1.047,531 1.227,532 1.029,533 1.374,534 1.086,535 0.749,536 0.935,537 1.058,538 1.132,539 0.958,540 1.146,541 5.5,542 0.096,543 2.444,544 2.486,545 1.254,546 0.903,547 0.637,548 0.418,549 0.305,550 0.151,551 8855,552 23140,553 2.208,554 37.2,556 8,557 1,559 4,560 3,564 1.707,565 2.104,566 3.168,567 1.734,569 1,573 64.619,574 1.503,575 3.629,576 4.571,577 5.176,578 5.269,579 5.269,580 2.496,581 4.31,582 4.728,583 3.328,584 1168.26,585 8.241,586 14603.2,588 1,590 1,591 233.329,592 1.28,593 4.703,594 0.177,595 0.007,596 0.054,597 0.058,598 0.031,599 0.023,600 0.015,601 0.011,602 0.01,603 0.007,604 0.393,605 0.17,606 0.88,607 0.454,608 131.173,609 -0.188,610 -0.217,611 0.038,612 -0.017,613 -0.297,614 0.037,615 0.531,616 0.193,617 0.148,618 -0.015,619 0.383,620 -0.003,621 -0.317,622 -0.151,623 -0.103,624 -0.028,625 -0.257,626 -0.028,627 0.291,628 -0.096,629 0.006,630 -0.204,631 0.258,632 -0.16,633 -0.496,634 0.024,635 -0.152,636 0.137,637 -0.338,638 0.069,639 0.157,640 0.109,641 0.071,642 0.053,643 0.234,644 0.048,645 -0.37,646 -0.022,647 -0.302,648 -0.083,649 -0.329,650 -0.162,651 0.031,652 -0.021,653 -0.071,654 -0.089,655 -0.014,656 -0.097,657 1.492,658 1.842,659 0.889,660 21.509,661 1.008,662 1.131,663 3.788,664 14.35,665 0.7,666 3.466,667 3.829,668 4.143,669 4.5,670 4.718,671 4.868,672 5.03,673 5.226,674 5.273,675 5.416,676 5.71,677 0.681,678 356.43,679 3.466,680 5.03,681 5.905,682 6.812,683 7.704,684 8.617,685 9.517,686 10.433,687 11.337,688 12.254,689 18.6,693 1,697 3,699 4,702 1,703 4,704 9,705 4,706 1,709 5,710 1,711 26,722 1,724 1,731 43,733 26,734 2,735 31,737 47,738 19,739 18,740 5,741 7,746 5,747 7,752 1,761 18,762 1,778 1,781 16,782 6,783 4,784 8,787 1,790 8,794 0.6,807 1,811 2,812 3,815 2,840 3,844 1,848 27,849 1,855 1,877 12.833,878 8.083,879 5.722,880 2.418,881 5.138,882 1.644,883 1.09,884 3.638,885 13.121,886 3.807,887 4.522,888 5.203,889 5.902,890 6.45,891 6.855,892 7.34,893 7.855,894 8.138,895 8.631,896 0.833,897 43,898 9.883,900 4.272,901 7.648,902 18.824,904 15.607,905 2.148,906 58,909 1,910 141.253,911 113.47,912 136.735,917 113.47,918 141.253,919 136.735,920 8.825,922 117.755,923 67.142,924 48.396,925 19.858,926 129.482,928 141.253,929 250.205,933 143.581,937 53.362,938 127.373,939 67.142,941 141.253,942 136.735,943 113.47,946 141.253,947 19.787,948 95.582,949 34.796,950 100.039,951 141.253,952 136.735,953 113.47,955 0.588,956 0.344,957 0.204,958 0.109,959 25,960 10,961 0.064,962 3,963 2,964 1.167,965 3.888,966 250.849,967 0.167,968 24,969 128.382,974 15.941,975 6.162,976 2.831,977 3.904,978 118.05,979 17.851,980 17.523,981 3.217,984 2.66,985 1.847,986 67.693,987 391.458,988 44,999 43.349,1000 48.647,1001 0.277,1002 0.669,1003 0.842,1004 0.954,1005 0.971,1006 0.971,1007 5.04,1008 1.534,1009 5.9,1010 4.963,1011 4.511,1012 5.209,1013 0.278,1014 6.744,1015 4.402,1016 6.287,1017 1.45,1018 7.469,1019 4.259,1020 4.111,1021 5.094,1023 7.664,1024 3.931,1025 7.619,1026 1.362,1027 9.136,1028 4.202,1029 6.129,1030 7.547,1031 0.05,1032 10.815,1033 5.905,1034 8.988,1035 1.095,1036 10.862,1037 2.968,1038 6.553,1039 8.28,1041 12.616,1042 6.254,1043 10.389,1044 0.54,1045 12.629,1046 2.447,1047 8.042,1048 10.182,1049 0.008,1050 15.283,1051 7.702,1052 11.815,1053 0.471,1054 14.424,1055 1.446,1056 8.86,1057 11.327,1059 17.468,1060 8.444,1061 13.26,1062 -0.047,1063 16.243,1064 1.154,1065 10.139,1066 12.998,1067 0.001,1068 19.981,1069 9.676,1070 3.283,1071 -0.347,1072 18.079,1073 -0.136,1074 11.143,1075 14.34,1077 22.328,1078 10.606,1079 2.938,1080 11.777,1081 19.93,1082 -0.891,1083 12.341,1084 15.914,1086 24.797,1087 11.75,1088 2.697,1089 9.263,1090 21.794,1091 4.634,1092 13.433,1093 17.348,1095 27.21,1096 12.768,1097 2.381,1098 8.163,1099 23.669,1100 4.365,1101 14.604,1102 18.883,1104 29.669,1105 13.878,1106 2.157,1107 7.32,1108 25.552,1109 3.798,1110 15.736,1111 20.36,1113 32.11,1114 14.937,1115 1.879,1116 6.498,1117 27.443,1118 3.178,1119 16.902,1120 21.88,1122 34.569,1123 16.036,1124 1.795,1125 5.414,1126 29.34,1127 2.952,1128 18.054,1129 23.377,1131 37.023,1132 17.114,1133 8114,1134 13281,1135 21.383,1136 30.091,1137 47.75,1138 46.967,1139 48.091,1140 47.238,1141 47.168,1142 66.901,1143 0.8,1144 139.746,1145 44.667,1146 5.485,1147 5.376,1148 6.624,1149 5.31,1150 5.283,1151 7.634,1152 0.8,1153 18.982,1154 5.049,1155 9.381,1156 1.54,1157 1.515,1158 1.551,1159 1.524,1160 1.522,1161 2.158,1162 0.026,1163 4.508,1164 1.441,1165 4.16,1166 4.204,1167 4.132,1168 4.043,1169 5.271,1170 4.056,1171 4.073,1172 4.112,1173 4.035,1174 3.965,1175 5.041,1176 3.979,1177 3.783,1178 3.847,1179 3.749,1180 3.567,1181 4.956,1182 3.606,1183 3.496,1184 3.558,1185 3.42,1186 3.333,1187 4.688,1188 3.347,1189 3.309,1190 3.371,1191 3.221,1192 3.152,1193 4.425,1194 3.164,1195 3.164,1196 3.273,1197 2.99,1198 2.914,1199 4.228,1200 2.92,1201 2.971,1202 3.048,1203 2.862,1204 2.819,1205 4.015,1206 2.817,1207 2.931,1208 3,1209 2.823,1210 2.781,1211 3.813,1212 2.781,1213 0.152,1214 0.109,1215 0.224,1216 0.136,1217 0.106,1218 4.698,1219 0.149,1220 3.376,1221 0.013,1222 6.943,1223 0.38,1224 4.21,1225 0.098,1226 3.283,1227 4.634,1228 0.4,1229 11.777,1230 3.049,1231 1.938,1232 1.911,1233 2.019,1234 2.065,1235 1.153,1236 2.044,1237 1.92,1238 1.891,1239 2.009,1240 2.018,1241 1.116,1242 2.016,1243 1.703,1244 1.641,1245 1.808,1246 1.922,1247 0.796,1248 1.898,1249 1.486,1250 1.426,1251 1.659,1252 1.697,1253 0.667,1254 1.692,1255 1.369,1256 1.299,1257 1.516,1258 1.631,1259 0.575,1260 1.596,1261 1.133,1262 1.039,1263 1.382,1264 1.44,1265 0.309,1266 1.451,1267 1.007,1268 0.944,1269 1.194,1270 1.238,1271 0.215,1272 1.229,1273 0.946,1274 0.891,1275 1.132,1276 1.133,1277 0.143,1278 1.139,1279 4.143,1281 5.493,1282 3.045,1283 7.031,1284 5.416,1285 8.659,1286 7.535,1287 10.336,1289 1.785,1293 5.842,1296 3.372,1305 29.278,1306 64.619,1307 156.045,1308 196.574,1309 222.574,1310 226.574,1311 226.574,1312 27.286,1313 7.983,1314 110.33,1315 110.33,1316 28,1317 12.767,1318 4.755,1319 3.807,1320 35.498,1321 90,1322 88,1323 0.189,1324 178.211,1325 279.92,1326 426.595,1327 33394,1329 18.38,1330 0.681,1331 0.537,1332 18.38,1333 14.51,1334 13.17,1335 0.425,1336 0.273,1337 8.348,1338 12.663,1339 8.173,1340 6.785,1341 13.17,1342 8.474,1343 12.325,1344 0.274,1345 0.138,1346 12.325,1347 6.205,1348 10.406,1349 0.168,1350 0.07,1351 10.406,1352 4.325,1353 9.685,1354 0.109,1355 0.035,1356 9.685,1357 3.155,1358 7.539,1359 0.068,1360 0.018,1361 7.539,1362 2.01,1363 0.288,1364 82.303,1365 0.216,1366 25.402,1367 0.547,1368 152,1369 416.204,1370 168.652,1371 415.999,1372 597.75,1373 392,1374 183,1375 477.563,1376 199.514,1377 483.123,1378 714.06,1379 457,1380 6.638}
{0 CHEMBL1760158,1 1.531,2 8.963,3 3.368,4 11.34,5 100.547,6 8.51,7 0.839,8 3.905,9 4.04,10 3.593,11 3.419,12 5.116,13 3.447,14 4.369,15 4.534,16 3.988,17 3.803,18 5.598,19 3.814,20 4.524,21 4.723,22 3.952,23 3.848,24 5.639,25 3.849,26 4.532,27 4.735,28 3.945,29 3.814,30 5.684,31 3.8,32 4.532,33 4.759,34 3.869,35 3.779,36 5.637,37 3.779,38 4.521,39 4.728,40 3.932,41 3.862,42 5.68,43 3.839,44 4.561,45 4.772,46 3.825,47 3.877,48 5.672,49 3.828,50 4.532,51 4.769,52 3.666,53 3.793,54 5.579,55 3.707,56 0.108,57 0.772,58 6.68,59 2.78,60 9.529,61 3.345,62 0.308,63 1.187,64 12.018,65 4.997,66 21.384,67 6.361,68 0.291,69 1.293,70 15.881,71 4.99,72 24.159,73 6.438,74 0.359,75 1.29,76 16.035,77 5.692,78 25.295,79 7.563,80 0.411,81 1.254,82 17.607,83 4.554,84 31.468,85 5.93,86 0.349,87 1.268,88 16.431,89 5.931,90 28.031,91 7.85,92 0.337,93 1.276,94 17.041,95 6.003,96 29.98,97 7.782,98 0.284,99 1.159,100 18.566,101 6.946,102 29.947,103 9.606,104 5,105 45,106 0.26,107 0.64,108 0.794,109 0.881,110 0.889,111 0.889,112 3.341,113 0.807,114 -4.86,115 -4.77,116 -4.47,119 42.9,120 1,142 7,143 1,144 1,146 2,149 1,150 2,151 1,152 1,162 1,163 1,164 1,165 1,168 1,172 5,174 6,175 6,177 2,178 4,180 3,183 5,187 5,192 3,195 2,198 3,199 11,201 2,202 5,204 5,209 1,212 6,216 1,217 2,223 3,224 10,226 1,227 2,228 1,229 2,231 1,232 5,234 1,237 4,240 2,242 2,245 8,247 2,249 2,250 7,255 3,258 7,260 3,263 3,266 2,268 3,271 3,273 1,275 1114,276 18.549,277 18.549,278 18.549,279 18.549,280 18.549,281 15.517,282 19.355,283 10.854,284 19.057,285 15.38,286 15.38,287 15.38,288 15.38,289 15.38,290 10.817,291 30.609,292 5.22,293 16.257,294 3.862,295 1.629,296 0.724,297 0.208,298 0.161,299 0.161,300 4.054,303 1,304 1,305 1,306 545,307 2.449,310 106.321,311 194.832,314 193.848,318 1.232,319 19.468,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 58.5,331 242,332 4.698,333 3.376,334 6.943,335 4.21,336 3.283,337 4.634,338 0.4,339 11.777,340 3.049,341 4.423,342 2.962,343 6.195,344 3.918,345 2.938,346 4.365,348 9.263,349 2.878,350 4.124,351 2.795,352 5.854,353 3.618,354 2.697,355 3.798,357 8.163,358 2.483,359 3.743,360 2.507,361 5.521,362 3.336,363 2.381,364 3.178,366 7.32,367 2.269,368 3.548,369 2.281,370 5.249,371 3.098,372 2.157,373 2.952,375 6.498,376 2.027,377 3.232,378 2.082,379 4.905,380 2.796,381 1.879,382 2.529,384 5.414,385 1.722,386 3.223,387 1.873,388 4.618,389 2.731,390 1.795,391 2.481,393 4.963,394 1.674,395 3.034,396 1.534,397 4.526,398 2.515,399 1.534,400 2.301,402 4.259,403 1.502,404 2.927,405 1.469,406 4.363,407 2.4,408 1.45,409 2.125,411 4.202,412 1.374,413 2.838,414 1.379,415 3.631,416 2.347,417 1.362,418 1.994,420 2.968,421 1.339,422 2.584,423 1.106,424 3.482,425 2.052,426 1.095,427 1.624,428 2.447,429 1.045,430 2.004,431 0.582,432 3.419,433 1.493,434 0.54,435 0.779,436 1.446,437 0.513,438 1.949,439 0.494,440 3.081,441 1.438,442 0.471,443 0.69,445 1.154,446 0.456,447 1.265,448 0.075,449 2.894,450 0.888,451 -0.047,452 -0.061,454 -0.136,455 -0.044,456 1,457 -0.126,458 2.614,459 0.572,460 -0.347,461 -0.445,463 -0.891,464 -0.318,465 12.6,466 0.467,467 0.674,468 0.025,469 42.5,470 1.574,471 23,472 0.852,473 19.5,474 0.722,475 17.321,476 0.642,477 27,478 0.643,479 30.276,480 1.121,481 8.386,482 0.311,483 4.784,484 0.177,485 0.071,487 0.389,493 1.038,494 1.321,495 0.691,496 0.934,497 1.119,498 0.781,499 0.512,500 0.932,501 0.658,502 0.932,503 0.462,504 0.845,505 1.395,506 1.248,507 1.003,508 0.952,509 1.162,510 0.91,511 0.834,512 1.149,513 0.945,514 1.151,515 0.661,516 1.086,517 1.671,518 0.985,519 1.127,520 0.718,521 1.428,522 0.795,523 0.848,524 0.918,525 0.883,526 0.927,527 0.738,528 0.915,529 1.174,530 0.977,531 1.199,532 1.058,533 1.291,534 1.119,535 0.761,536 0.984,537 1.037,538 1.157,539 0.939,540 1.153,541 5.5,542 0.096,543 2.444,544 2.486,545 1.254,546 0.903,547 0.637,548 0.418,549 0.305,550 0.151,551 8855,552 24387,553 2.208,554 35.7,556 7,557 1,559 4,560 3,564 1.707,565 2.104,566 3.168,567 1.771,568 1,569 1,573 64.286,574 1.531,575 3.764,576 4.668,577 5.184,578 5.231,579 5.231,580 2.496,581 4.31,582 4.728,583 3.328,584 1168.26,585 8.241,586 14603.2,587 1,588 1,590 1,591 226.477,592 1.28,593 4.703,594 0.177,595 0.007,596 0.054,597 0.058,598 0.031,599 0.023,600 0.015,601 0.011,602 0.01,603 0.007,604 0.393,605 0.17,606 0.88,607 0.454,608 131.173,609 -0.13,610 -0.168,611 0.038,612 -0.01,613 -0.271,614 0.036,615 0.446,616 0.175,617 0.153,618 0.002,619 0.341,620 0.016,621 -0.342,622 -0.194,623 -0.107,624 -0.035,625 -0.276,626 -0.026,627 0.201,628 -0.115,629 -0.028,630 -0.22,631 0.217,632 -0.18,633 -0.467,634 0.058,635 -0.164,636 0.164,637 -0.353,638 0.081,639 0.103,640 0.101,641 0.035,642 0.042,643 0.205,644 0.028,645 -0.238,646 0.031,647 -0.28,648 -0.086,649 -0.29,650 -0.171,651 0.038,652 -0.078,653 -0.031,654 -0.103,655 0.021,656 -0.085,657 1.501,658 1.835,659 0.889,660 21.509,661 1.014,662 1.136,663 3.629,664 13.168,665 0.698,666 3.466,667 3.829,668 4.143,669 4.5,670 4.718,671 4.868,672 5.03,673 5.226,674 5.273,675 5.416,676 5.71,677 0.685,678 357.42,679 3.466,680 5.03,681 5.905,682 6.812,683 7.704,684 8.617,685 9.517,686 10.433,687 11.337,688 12.254,689 21.4,693 1,697 3,699 5,702 1,703 4,704 8,705 5,706 1,709 5,710 1,711 26,722 1,724 1,731 42,733 26,734 2,735 31,737 46,738 18,739 17,740 5,741 7,746 5,747 7,752 1,761 17,762 1,777 1,778 1,781 15,782 7,783 4,784 9,787 1,790 9,794 0.6,803 1,811 2,812 3,815 2,840 3,844 1,848 27,849 1,855 1,877 12.833,878 7.95,879 5.722,880 2.344,881 5.138,882 1.644,883 1.085,884 3.604,885 13.121,886 3.807,887 4.522,888 5.203,889 5.902,890 6.45,891 6.855,892 7.34,893 7.855,894 8.138,895 8.631,896 0.833,897 43,898 9.869,900 4.267,901 7.685,902 18.694,904 15.429,905 2.185,906 59,909 1,910 129.482,911 103.994,912 153.275,917 103.994,918 129.482,919 153.275,920 8.825,922 108.278,923 83.805,924 50.418,925 17.713,926 117.711,928 129.482,929 257.269,933 131.81,937 55.384,938 115.752,939 83.805,941 129.482,942 153.275,943 103.994,946 129.482,947 19.787,948 86.105,949 34.674,950 116.702,951 129.482,952 153.275,953 103.994,955 0.588,956 0.344,957 0.204,958 0.109,959 25,960 10,961 0.065,962 3,963 2,964 1.167,965 3.888,966 250.849,967 0.167,968 24,969 128.382,974 15.881,975 6.127,976 2.812,977 3.584,978 134.713,979 15.524,980 21.701,981 2.861,984 2.552,985 1.828,986 67.571,987 386.751,988 44,999 42.567,1000 47.73,1001 0.284,1002 0.698,1003 0.866,1004 0.961,1005 0.97,1006 0.97,1007 5.04,1008 1.534,1009 5.9,1010 4.963,1011 4.511,1012 5.209,1013 0.278,1014 6.744,1015 4.401,1016 6.287,1017 1.45,1018 7.469,1019 4.259,1020 4.111,1021 5.094,1023 7.664,1024 3.931,1025 7.619,1026 1.362,1027 9.136,1028 4.202,1029 6.129,1030 7.547,1031 0.05,1032 10.815,1033 5.905,1034 8.988,1035 1.095,1036 10.862,1037 2.968,1038 6.553,1039 8.28,1041 12.616,1042 6.254,1043 10.389,1044 0.54,1045 12.629,1046 2.447,1047 8.042,1048 10.182,1049 0.008,1050 15.283,1051 7.701,1052 11.815,1053 0.471,1054 14.424,1055 1.446,1056 8.86,1057 11.327,1059 17.468,1060 8.443,1061 13.26,1062 -0.047,1063 16.243,1064 1.154,1065 10.139,1066 12.998,1067 0.001,1068 19.981,1069 9.675,1070 3.283,1071 -0.347,1072 18.079,1073 -0.136,1074 11.143,1075 14.34,1077 22.328,1078 10.605,1079 2.938,1080 11.777,1081 19.93,1082 -0.891,1083 12.341,1084 15.914,1086 24.797,1087 11.749,1088 2.697,1089 9.263,1090 21.794,1091 4.634,1092 13.433,1093 17.348,1095 27.21,1096 12.767,1097 2.381,1098 8.163,1099 23.669,1100 4.365,1101 14.604,1102 18.883,1104 29.669,1105 13.877,1106 2.157,1107 7.32,1108 25.552,1109 3.798,1110 15.736,1111 20.36,1113 32.11,1114 14.935,1115 1.879,1116 6.498,1117 27.443,1118 3.178,1119 16.902,1120 21.88,1122 34.569,1123 16.034,1124 1.795,1125 5.414,1126 29.34,1127 2.952,1128 18.054,1129 23.377,1131 37.023,1132 17.113,1133 8114,1134 13632,1135 21.383,1136 29.336,1137 47.75,1138 46.967,1139 48.091,1140 47.247,1141 47.168,1142 66.901,1143 0.8,1144 139.746,1145 44.665,1146 5.485,1147 5.376,1148 6.624,1149 5.31,1150 5.283,1151 7.634,1152 0.8,1153 18.982,1154 5.049,1155 9.381,1156 1.54,1157 1.515,1158 1.551,1159 1.524,1160 1.522,1161 2.158,1162 0.026,1163 4.508,1164 1.441,1165 4.152,1166 4.199,1167 4.128,1168 4.02,1169 5.271,1170 4.039,1171 4.055,1172 4.098,1173 4.022,1174 3.944,1175 5.105,1176 3.957,1177 3.783,1178 3.847,1179 3.749,1180 3.567,1181 5.007,1182 3.606,1183 3.487,1184 3.558,1185 3.416,1186 3.286,1187 4.688,1188 3.312,1189 3.301,1190 3.371,1191 3.218,1192 3.117,1193 4.469,1194 3.134,1195 3.164,1196 3.273,1197 2.99,1198 2.913,1199 4.267,1200 2.919,1201 2.952,1202 3.033,1203 2.853,1204 2.791,1205 4.016,1206 2.79,1207 2.913,1208 2.977,1209 2.8,1210 2.78,1211 3.818,1212 2.778,1213 0.152,1214 0.109,1215 0.224,1216 0.136,1217 0.106,1218 4.698,1219 0.149,1220 3.376,1221 0.013,1222 6.943,1223 0.38,1224 4.21,1225 0.098,1226 3.283,1227 4.634,1228 0.4,1229 11.777,1230 3.049,1231 1.931,1232 1.904,1233 2.014,1234 2.062,1235 1.139,1236 2.04,1237 1.917,1238 1.89,1239 2.004,1240 2.002,1241 1.115,1242 2.004,1243 1.703,1244 1.641,1245 1.808,1246 1.92,1247 0.796,1248 1.897,1249 1.405,1250 1.335,1251 1.552,1252 1.704,1253 0.598,1254 1.662,1255 1.318,1256 1.235,1257 1.489,1258 1.617,1259 0.462,1260 1.577,1261 1.127,1262 1.031,1263 1.366,1264 1.439,1265 0.229,1266 1.449,1267 0.973,1268 0.911,1269 1.141,1270 1.215,1271 0.194,1272 1.2,1273 0.933,1274 0.882,1275 1.128,1276 1.106,1277 0.143,1278 1.114,1279 4.143,1281 5.493,1282 3.045,1283 7.031,1284 5.416,1285 8.659,1286 7.535,1287 10.336,1289 1.777,1293 5.835,1296 3.338,1305 28.773,1306 64.286,1307 158.071,1308 196.071,1309 217.722,1310 219.722,1311 219.722,1312 27.64,1313 7.983,1314 123.22,1315 123.22,1316 28,1317 12.767,1318 4.755,1319 3.807,1320 35.498,1321 90,1322 88,1323 0.189,1324 175.413,1325 273.62,1326 419.767,1327 33394,1329 18.38,1330 0.681,1331 0.533,1332 18.38,1333 14.379,1334 13.17,1335 0.425,1336 0.269,1337 8.198,1338 12.594,1339 8.036,1340 6.669,1341 13.17,1342 8.338,1343 12.325,1344 0.274,1345 0.135,1346 12.325,1347 6.084,1348 10.406,1349 0.168,1350 0.068,1351 10.406,1352 4.205,1353 9.685,1354 0.109,1355 0.034,1356 9.685,1357 3.041,1358 7.539,1359 0.068,1360 0.018,1361 7.539,1362 1.947,1363 0.288,1364 82.803,1365 0.216,1366 25.402,1367 0.547,1368 152,1369 435.849,1370 170.04,1371 433.486,1372 620.43,1373 408,1374 183,1375 495.761,1376 201.262,1377 499.582,1378 736.63,1379 472,1380 6.699}
{0 CHEMBL1760159,1 1.549,2 8.042,3 2.776,4 7.704,5 89.679,6 8.241,7 0.778,8 3.821,9 3.966,10 3.481,11 3.269,12 5.021,13 3.304,14 4.294,15 4.489,16 3.87,17 3.627,18 5.518,19 3.649,20 4.404,21 4.619,22 3.797,23 3.661,24 5.523,25 3.673,26 4.403,27 4.61,28 3.825,29 3.669,30 5.563,31 3.658,32 4.423,33 4.648,34 3.799,35 3.654,36 5.556,37 3.67,38 4.452,39 4.669,40 3.849,41 3.737,42 5.622,43 3.72,44 4.473,45 4.701,46 3.656,47 3.702,48 5.588,49 3.655,50 4.404,51 4.659,52 3.361,53 3.562,54 5.418,55 3.444,56 0.103,57 0.707,58 6.815,59 2.421,60 8.26,61 3.338,62 0.36,63 1.047,64 13.018,65 4.299,66 22.848,67 6.026,68 0.341,69 1.097,70 15.338,71 3.655,72 25.304,73 5.516,74 0.351,75 1.095,76 14.91,77 4.916,78 22.897,79 7.048,80 0.402,81 1.1,82 16.129,83 3.494,84 27.57,85 5.348,86 0.335,87 1.14,88 16.449,89 5.339,90 28.497,91 7.759,92 0.387,93 1.096,94 16.919,95 4.66,96 30.594,97 6.78,98 0.277,99 0.917,100 17.33,101 5.852,102 28.632,103 8.705,104 10,105 39,106 0.271,107 0.667,108 0.803,109 0.864,110 0.873,111 0.873,112 3.23,113 0.814,114 -5.09,115 -4.98,116 -4.67,119 38.5,120 1,124 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,162 1,163 1,164 1,165 1,166 1,172 3,174 6,175 6,177 2,178 5,180 1,183 2,187 4,190 1,195 1,198 5,199 8,201 2,202 4,204 3,209 1,211 2,212 4,217 2,223 3,224 8,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 2,237 6,242 2,245 4,247 2,249 1,250 5,252 1,253 1,255 2,258 2,260 2,262 1,263 1,265 1,266 1,275 846,276 16.187,277 16.187,278 16.187,279 16.187,280 16.187,281 13.646,282 22.517,283 9.494,284 16.73,285 13.392,286 13.392,287 13.392,288 13.392,289 13.392,290 9.584,291 35.609,292 4.589,293 14.331,294 3.737,295 1.471,296 0.695,297 0.346,298 0.295,299 0.295,300 3.925,303 1,304 1,305 1,306 422,307 2.345,310 101.049,311 123.594,314 90.239,318 1.132,319 18.161,320 1,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 52.5,331 193,332 4.697,333 3.376,334 6.943,335 4.209,336 3.283,337 4.634,338 0.4,339 11.777,340 3.047,341 4.125,342 2.836,343 5.855,344 3.646,345 2.715,346 3.798,348 8.164,349 2.542,350 4.089,351 2.765,352 5.636,353 3.614,354 2.679,355 3.713,357 7.796,358 2.483,359 3.638,360 2.347,361 5.37,362 3.183,363 2.242,364 3.069,366 6.782,367 2.102,368 3.322,369 2.172,370 5.033,371 2.905,372 1.988,373 2.607,375 5.851,376 1.822,377 3.232,378 2.078,379 4.618,380 2.796,381 1.879,382 2.481,384 4.963,385 1.72,386 3.052,387 1.746,388 4.558,389 2.592,390 1.651,391 2.257,393 4.651,394 1.553,395 2.923,396 1.467,397 4.526,398 2.396,399 1.447,400 2.118,402 4.252,403 1.371,404 2.809,405 1.365,406 3.625,407 2.321,408 1.342,409 1.947,411 2.955,412 1.31,413 2.207,414 0.758,415 3.443,416 1.704,417 0.731,418 1.069,420 1.741,421 0.71,422 1.997,423 0.554,424 3.271,425 1.467,426 0.523,427 0.763,428 1.408,429 0.493,430 1.204,431 0.081,432 2.877,433 0.844,434 -0.076,435 -0.094,436 -0.22,437 -0.07,438 1,439 -0.126,440 2.587,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.886,448 -0.263,449 2.382,450 0.458,451 -0.459,452 -0.577,454 -1.174,455 -0.421,456 0.657,457 -0.476,458 2.266,459 0.25,460 -0.691,461 -0.826,463 -1.692,464 -0.647,465 11.1,466 0.463,467 0.661,468 0.028,469 36.75,470 1.531,471 19,472 0.792,473 17.75,474 0.74,475 15.247,476 0.635,477 24.9,478 0.638,479 25.82,480 1.076,481 7.295,482 0.304,483 4.302,484 0.179,485 0.126,487 0.387,493 1.025,494 1.581,495 0.707,496 1.116,497 1.141,498 0.892,499 0.572,500 0.899,501 0.625,502 0.849,503 0.384,504 0.765,505 1.542,506 1.194,507 1.061,508 0.853,509 1.364,510 0.857,511 0.694,512 1.117,513 0.872,514 1.154,515 0.564,516 1.067,517 1.636,518 1.042,519 1.082,520 0.708,521 1.45,522 0.768,523 0.765,524 1.054,525 0.794,526 0.993,527 0.649,528 0.916,529 1.41,530 0.989,531 1.319,532 1.033,533 1.433,534 1.136,535 0.762,536 1.094,537 1.145,538 1.349,539 0.899,540 1.331,541 5.5,542 0.012,543 2,544 2.549,545 1.006,546 0.896,547 0.562,548 0.445,549 0.205,550 0.144,551 5905,552 16497,553 2.135,554 38.5,556 8,557 1,559 3,560 3,564 1.678,565 2,566 3,567 1.121,568 1,569 1,571 1,573 60.395,574 1.549,575 3.814,576 4.59,577 4.939,578 4.99,579 4.99,580 2.428,581 4.22,582 4.556,583 3.146,584 868.247,585 7.909,586 9989.24,587 1,588 1,589 1,590 1,591 206.131,592 1.406,593 4.518,594 0.204,595 0.004,596 0.051,597 0.071,598 0.028,599 0.025,600 0.015,601 0.015,602 0.01,603 0.014,604 0.437,605 0.33,606 1,607 0.566,608 111.261,609 -0.109,610 -0.37,611 0.056,612 -0.137,613 -0.282,614 -0.029,615 0.472,616 0.223,617 0.249,618 0.092,619 0.454,620 0.119,621 -0.417,622 -0.113,623 -0.153,624 0.04,625 -0.402,626 0.005,627 0.297,628 -0.05,629 0.027,630 -0.195,631 0.306,632 -0.149,633 -0.441,634 0.031,635 -0.151,636 0.156,637 -0.372,638 0.078,639 0.164,640 -0.02,641 0.126,643 0.309,644 0.046,645 -0.383,646 0.049,647 -0.395,648 -0.094,649 -0.382,650 -0.221,651 0.033,652 -0.192,653 -0.151,654 -0.294,655 0.047,656 -0.266,657 1.501,658 1.784,659 0.833,660 17.979,661 1.015,662 1.147,663 3.857,664 14.877,665 0.675,666 3.332,667 3.689,668 3.97,669 4.331,670 4.522,671 4.673,672 4.836,673 5.011,674 5.024,675 5.03,676 5.134,677 0.661,678 321.39,679 3.332,680 4.89,681 5.753,682 6.658,683 7.542,684 8.456,685 9.35,686 10.268,687 11.169,688 12.089,689 23.1,693 1,697 3,699 5,702 1,703 2,704 6,705 5,709 5,710 2,711 21,722 1,724 1,731 39,733 21,734 1,735 27,737 42,738 15,739 13,740 2,741 4,746 4,747 5,752 1,761 13,762 2,777 1,778 1,781 15,782 7,783 3,784 9,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,840 3,844 2,848 24,849 1,855 1,877 12,878 7.733,879 5.111,880 2.122,881 3.938,882 1.536,883 1.038,884 3.487,885 11.292,886 3.651,887 4.344,888 4.982,889 5.672,890 6.17,891 6.575,892 7.077,893 7.587,894 7.884,895 8.245,896 1,897 36,898 8.761,900 3.706,901 7.715,902 16.512,904 13.234,905 2.215,906 53.167,910 141.253,911 88.292,912 138.389,917 88.292,918 141.253,919 138.389,920 17.222,922 89.326,923 83.805,924 28.058,925 20.041,926 129.482,928 141.253,929 226.68,933 143.581,937 38.353,938 102.194,939 83.805,941 141.253,942 138.389,943 88.292,946 141.253,947 14.641,948 77.326,949 18.011,950 116.702,951 141.253,952 138.389,953 88.292,955 0.588,956 0.335,957 0.199,958 0.106,959 21,960 9,961 0.071,962 3,963 1,964 1.1,965 3.563,966 208.027,967 0.1,968 20,969 110.039,974 14.754,975 5.672,976 2.766,977 1.675,978 134.713,979 11.435,980 21.598,984 2.345,985 3.509,986 50.908,987 367.934,988 37.5,999 39.567,1000 44.73,1001 0.293,1002 0.722,1003 0.868,1004 0.934,1005 0.944,1006 0.944,1007 4.885,1008 1.447,1009 5.753,1010 4.651,1011 4.369,1012 5.03,1013 0.278,1014 6.589,1015 4.234,1016 6.129,1017 1.342,1018 7.318,1019 4.252,1020 4.007,1021 4.913,1023 7.499,1024 3.781,1025 7.455,1026 0.731,1027 8.98,1028 2.955,1029 5.979,1030 7.327,1031 0.05,1032 10.651,1033 5.697,1034 8.819,1035 0.523,1036 10.701,1037 1.741,1038 6.415,1039 8.039,1041 12.457,1042 6.04,1043 10.213,1044 -0.076,1045 12.462,1046 1.408,1047 7.883,1048 9.92,1049 0.008,1050 15.139,1051 7.453,1052 11.631,1053 -0.347,1054 14.254,1055 -0.22,1056 8.708,1057 11.047,1059 17.343,1060 8.187,1061 13.069,1062 -0.459,1063 16.071,1064 -0.891,1065 9.978,1066 12.705,1067 0.001,1068 19.872,1069 9.397,1070 3.283,1071 -0.691,1072 17.909,1073 -1.174,1074 10.989,1075 14.038,1077 22.239,1078 10.323,1079 2.715,1080 11.777,1081 19.763,1082 -1.692,1083 12.187,1084 15.605,1086 24.721,1087 11.454,1088 2.679,1089 8.164,1090 21.633,1091 4.634,1092 13.285,1093 17.038,1095 27.15,1096 12.471,1097 2.242,1098 7.796,1099 23.514,1100 3.798,1101 14.46,1102 18.572,1104 29.619,1105 13.576,1106 1.988,1107 6.782,1108 25.405,1109 3.713,1110 15.601,1111 20.053,1113 32.071,1114 14.637,1115 1.879,1116 5.851,1117 27.305,1118 3.069,1119 16.772,1120 21.577,1122 34.537,1123 15.736,1124 1.651,1125 4.963,1126 29.211,1127 2.607,1128 17.933,1129 23.081,1131 36.997,1132 16.819,1133 5629,1134 9570,1135 18.205,1136 26.336,1137 41.624,1138 40.746,1139 42.197,1140 41.053,1141 40.964,1142 56.911,1143 0.8,1144 120.678,1145 38.306,1146 5.494,1147 5.376,1148 6.624,1149 5.309,1150 5.283,1151 7.634,1152 0.8,1153 18.982,1154 5.047,1155 10.669,1156 1.542,1157 1.509,1158 1.563,1159 1.52,1160 1.517,1161 2.108,1162 0.03,1163 4.47,1164 1.419,1165 4.137,1166 4.186,1167 4.116,1168 3.993,1169 5.271,1170 4.016,1171 3.9,1172 3.969,1173 3.851,1174 3.693,1175 5.048,1176 3.723,1177 3.783,1178 3.847,1179 3.749,1180 3.565,1181 4.917,1182 3.605,1183 3.397,1184 3.466,1185 3.318,1186 3.206,1187 4.687,1188 3.228,1189 3.168,1190 3.276,1191 2.991,1192 2.919,1193 4.343,1194 2.923,1195 3.083,1196 3.184,1197 2.901,1198 2.858,1199 4.018,1200 2.847,1201 2.941,1202 3.02,1203 2.828,1204 2.781,1205 3.85,1206 2.781,1207 2.765,1208 2.872,1209 2.604,1210 2.476,1211 3.74,1212 2.504,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.122,1218 4.697,1219 0.172,1220 3.376,1221 0.015,1222 6.943,1223 0.436,1224 4.209,1225 0.113,1226 3.283,1227 4.634,1228 0.4,1229 11.777,1230 3.047,1231 1.923,1232 1.893,1233 2.012,1234 2.056,1235 1.119,1236 2.034,1237 1.711,1238 1.648,1239 1.811,1240 1.929,1241 0.808,1242 1.906,1243 1.542,1244 1.483,1245 1.751,1246 1.814,1247 0.792,1248 1.791,1249 1.476,1250 1.389,1251 1.621,1252 1.74,1253 0.661,1254 1.71,1255 1.242,1256 1.173,1257 1.47,1258 1.463,1259 0.503,1260 1.479,1261 1.11,1262 1.015,1263 1.341,1264 1.419,1265 0.226,1266 1.405,1267 0.954,1268 0.895,1269 1.134,1270 1.174,1271 0.143,1272 1.173,1273 0.797,1274 0.713,1275 1.108,1276 1.064,1277 0.131,1278 1.09,1279 4.007,1281 5.352,1282 3.045,1283 6.874,1284 5.416,1285 8.485,1286 7.516,1287 10.147,1289 3.622,1293 5.784,1296 3.199,1305 25.773,1306 60.395,1307 148.747,1308 179.011,1309 192.621,1310 194.621,1311 194.621,1312 24.075,1313 7.354,1314 112.36,1315 112.36,1316 22,1317 12.601,1318 4.459,1319 3.524,1320 33.502,1321 70,1322 81,1323 0.229,1324 159.884,1325 250.26,1326 381.877,1327 14339,1329 16.681,1330 0.695,1331 0.549,1332 16.681,1333 13.172,1334 11.597,1335 0.43,1336 0.271,1337 7.174,1338 10.986,1339 6.984,1340 5.836,1341 11.597,1342 7.327,1343 10.979,1344 0.282,1345 0.136,1346 10.979,1347 5.3,1348 8.811,1349 0.169,1350 0.067,1351 8.811,1352 3.467,1353 8.21,1354 0.109,1355 0.033,1356 8.21,1357 2.497,1358 6.182,1359 0.068,1360 0.017,1361 6.182,1362 1.531,1363 0.343,1364 73.519,1365 0.234,1366 22.814,1367 0.681,1368 132,1369 397.161,1370 150.789,1371 391.717,1372 557.49,1373 368,1374 157,1375 446.054,1376 175.984,1377 447.567,1378 656.96,1379 421,1380 5.208}
{0 CHEMBL1760160,1 1.766,2 8.923,3 3.598,4 12.942,5 89.688,6 9.163,7 0.724,8 3.843,9 3.979,10 3.569,11 3.265,12 5.118,13 3.332,14 4.339,15 4.518,16 3.992,17 3.623,18 5.86,19 3.678,20 4.431,21 4.634,22 3.933,23 3.656,24 5.76,25 3.707,26 4.439,27 4.631,28 3.952,29 3.662,30 5.78,31 3.702,32 4.448,33 4.664,34 3.879,35 3.651,36 5.723,37 3.689,38 4.475,39 4.683,40 3.916,41 3.733,42 5.738,43 3.744,44 4.5,45 4.717,46 3.822,47 3.698,48 5.811,49 3.685,50 4.441,51 4.678,52 3.632,53 3.552,54 5.665,55 3.515,56 0.222,57 0.825,58 5.114,59 2.461,60 20.512,61 2.797,62 0.729,63 1.28,64 11.57,65 4.382,66 69.52,67 5.19,68 0.602,69 1.242,70 13.34,71 3.674,72 44.132,73 4.769,74 0.581,75 1.282,76 12.973,77 5.023,78 45.398,79 5.943,80 0.686,81 1.157,82 14.404,83 3.505,84 51.063,85 4.523,86 0.584,87 1.237,88 14.986,89 5.398,90 53.467,91 6.927,92 0.697,93 1.196,94 14.745,95 4.653,96 46.284,97 6.189,98 0.562,99 1.159,100 16.411,101 5.944,102 51.92,103 7.841,104 18,105 42,106 0.309,107 0.692,108 0.816,109 0.877,110 0.886,111 0.886,112 3.305,113 0.784,114 -5.34,115 -5.22,116 -4.88,119 38.5,120 1,129 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,162 1,163 1,164 1,165 1,166 1,172 3,174 6,175 6,177 2,178 5,180 1,183 2,187 4,190 1,195 1,198 5,199 8,201 2,202 4,204 3,209 1,211 2,212 4,217 2,223 3,224 8,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 2,237 6,242 2,245 4,247 2,249 1,250 5,252 1,253 1,255 2,258 2,260 2,262 1,263 1,265 1,266 1,275 1046,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 14.93,282 24.54,283 10.137,284 18.136,285 14.36,286 14.36,287 14.36,288 14.36,289 14.36,290 10.586,291 38.785,292 4.861,293 15.617,294 3.519,295 1.33,296 0.625,297 0.276,298 0.224,299 0.224,300 3.999,303 1,304 1,305 1,306 503,307 2.915,310 114.115,311 137.401,314 101.754,318 1.249,319 34.543,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 59.5,331 232,332 4.697,333 3.471,334 6.943,335 4.209,336 3.283,337 4.634,338 2.088,339 11.777,340 3.047,341 4.182,342 3.372,343 6.004,344 3.763,345 2.849,346 3.798,347 0.4,348 8.594,349 2.612,350 4.123,351 2.805,352 5.853,353 3.618,354 2.696,355 3.779,357 8.162,358 2.483,359 3.663,360 2.661,361 5.5,362 3.253,363 2.337,364 3.078,366 7.155,367 2.139,368 3.437,369 2.31,370 5.226,371 3.055,372 2.145,373 2.676,375 6.392,376 1.936,377 3.232,378 2.085,379 4.893,380 2.796,381 1.879,382 2.481,384 5.348,385 1.721,386 3.193,387 2.006,388 4.618,389 2.72,390 1.805,391 2.446,393 4.963,394 1.648,395 2.927,396 1.559,397 4.526,398 2.401,399 1.452,400 2.123,402 4.257,403 1.374,404 2.835,405 1.462,406 3.71,407 2.35,408 1.371,409 1.985,411 2.987,412 1.338,413 2.376,414 1.344,415 3.607,416 1.943,417 1.083,418 1.345,420 2.639,421 0.914,422 2.097,423 0.722,424 3.423,425 1.617,426 0.66,427 0.942,428 1.609,429 0.625,430 1.996,431 0.554,432 3.253,433 1.466,434 0.523,435 0.762,436 1.406,437 0.492,438 1.186,439 0.51,440 2.856,441 0.815,442 -0.104,443 -0.13,445 -0.304,446 -0.095,447 1,448 0.057,449 2.582,450 0.572,451 -0.347,452 -0.445,454 -0.891,455 -0.318,456 0.879,457 -0.126,458 2.382,459 0.451,460 -0.465,461 -0.584,463 -1.188,464 -0.427,465 11.671,466 0.449,467 0.75,468 0.029,469 38.25,470 1.471,471 19,472 0.731,473 19.25,474 0.74,475 17.205,476 0.662,477 27.929,478 0.716,479 29.162,480 1.122,481 7.778,482 0.299,483 4.73,484 0.182,485 0.126,487 0.411,490 2,493 0.745,494 1.299,495 0.612,496 1.111,497 0.681,498 0.87,499 0.522,500 0.699,501 0.655,502 0.833,503 0.591,504 0.819,505 0.871,506 0.961,507 0.912,508 0.849,509 0.616,510 0.846,511 0.835,512 1.087,513 0.877,514 1.15,515 0.775,516 1.071,517 0.957,518 0.779,519 1.073,520 0.695,521 0.741,522 0.823,523 0.682,524 0.886,525 0.824,526 0.979,527 0.591,528 0.962,529 0.676,530 0.707,531 1.136,532 1.015,533 0.609,534 1.178,535 0.793,536 1.13,537 0.995,538 1.351,539 0.811,540 1.292,541 6,542 0.143,543 2.444,544 2.576,545 1.336,546 0.896,547 0.603,548 0.445,549 0.366,550 0.175,551 7363,552 26939,553 2.101,554 33.3,556 5,557 1,558 1,559 3,560 3,564 1.698,565 1.95,566 3.141,567 1.126,569 1,571 1,573 68.892,574 1.766,575 3.955,576 4.661,577 5.01,578 5.061,579 5.061,580 2.505,581 4.393,582 4.67,583 3.312,584 1076.51,585 8.132,586 13132.4,587 1,588 1,589 1,590 1,591 206.131,592 1.46,593 4.624,594 0.207,595 0.013,596 0.058,597 0.064,598 0.033,599 0.024,600 0.015,601 0.013,602 0.014,603 0.01,604 0.451,605 0.33,606 1,607 0.777,608 124.83,609 -0.123,610 -0.294,611 0.024,612 -0.136,613 -0.156,614 -0.025,615 0.369,616 0.348,617 0.146,618 0.11,619 0.229,620 0.038,621 -0.133,622 -0.08,623 -0.079,624 0.035,625 -0.017,626 0.03,627 -0.004,628 -0.117,629 -0.031,630 -0.194,631 -0.008,632 -0.157,633 -0.202,634 0.083,635 -0.22,636 0.16,637 -0.126,638 0.039,639 -0.001,640 -0.026,641 0.048,642 0.002,643 0.003,644 0.029,645 0.032,646 0.141,647 -0.261,648 -0.088,649 -0.012,650 -0.234,651 0.012,652 -0.283,653 0.032,654 -0.307,655 -0.011,656 -0.183,657 4.06,658 4.731,659 0.769,660 21.077,661 1.041,662 1.164,663 4.106,664 16.863,665 0.672,666 3.401,667 3.761,668 4.043,669 4.382,670 4.585,671 4.745,672 4.883,673 5.075,674 5.136,675 5.198,676 5.62,677 0.681,678 357.37,679 3.401,680 4.963,681 5.826,682 6.73,683 7.615,684 8.527,685 9.422,686 10.337,687 11.239,688 12.157,689 23.1,693 1,697 3,699 5,702 1,703 2,704 6,705 5,709 5,710 2,711 21,722 1,724 1,731 39,733 21,734 1,735 29,737 42,738 15,739 13,740 2,741 4,746 4,747 5,752 1,761 13,762 2,777 1,778 1,779 2,781 13,782 9,783 3,784 11,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,840 3,844 1,846 2,848 26,849 1,855 1,858 1,869 2,877 13.333,878 7.352,879 5.556,880 2.084,881 4.001,882 1.531,883 1.038,884 4.071,885 11.543,886 3.701,887 4.382,888 5.022,889 5.702,890 6.207,891 6.618,892 7.094,893 7.61,894 7.929,895 8.318,896 0.833,897 40,898 9.61,900 4.221,901 8.135,902 17.378,904 13.959,905 2.635,906 68.5,910 117.711,911 87.581,912 138.389,915 29.92,917 87.581,918 117.711,919 168.309,920 8.825,922 89.326,923 95.576,924 57.978,925 20.041,926 94.169,927 7.686,928 117.711,929 225.97,930 29.92,933 120.039,934 29.92,937 46.039,938 93.798,939 83.805,941 147.631,942 138.389,943 87.581,946 125.397,947 14.641,948 68.93,949 18.011,950 146.623,951 117.711,952 168.309,953 87.581,955 0.59,956 0.338,957 0.193,958 0.105,959 22,960 10,961 0.071,962 3,963 1,964 1.1,965 3.71,966 230.464,967 0.1,968 20,969 120.211,974 16.517,975 6.408,976 3.157,977 1.383,978 164.633,979 9.913,980 20.657,984 1.298,985 2.169,986 50.908,987 373.601,988 39.5,999 40.592,1000 45.41,1001 0.334,1002 0.748,1003 0.882,1004 0.948,1005 0.958,1006 0.958,1007 4.943,1008 1.452,1009 5.832,1010 4.963,1011 4.443,1012 5.069,1013 2.116,1014 6.673,1015 4.284,1016 6.184,1017 1.371,1018 7.405,1019 4.257,1020 4.111,1021 4.956,1022 1.868,1023 7.606,1024 3.84,1025 7.51,1026 1.083,1027 9.076,1028 2.987,1029 6.061,1030 7.354,1031 3.234,1032 10.741,1033 5.746,1034 8.872,1035 0.66,1036 10.804,1037 2.639,1038 6.524,1039 8.073,1040 3.491,1041 12.545,1042 6.099,1043 10.267,1044 0.523,1045 12.571,1046 1.609,1047 7.976,1048 9.944,1049 4.563,1050 15.212,1051 7.504,1052 11.685,1053 -0.104,1054 14.366,1055 1.406,1056 8.811,1057 11.073,1058 5.052,1059 17.403,1060 8.241,1061 13.122,1062 -0.347,1063 16.183,1064 -0.304,1065 10.072,1066 12.726,1067 5.966,1068 19.921,1069 9.446,1070 3.283,1071 -0.465,1072 18.019,1073 -0.891,1074 11.084,1075 14.059,1076 6.574,1077 22.276,1078 10.371,1079 2.849,1080 11.777,1081 19.87,1082 -1.188,1083 12.275,1084 15.623,1085 7.403,1086 24.751,1087 11.499,1088 2.696,1089 8.594,1090 21.734,1091 4.634,1092 13.37,1093 17.055,1094 8.072,1095 27.172,1096 12.514,1097 2.337,1098 8.162,1099 23.609,1100 3.798,1101 14.539,1102 18.587,1103 8.857,1104 29.636,1105 13.616,1106 2.145,1107 7.155,1108 25.493,1109 3.779,1110 15.674,1111 20.066,1112 9.559,1113 32.083,1114 14.674,1115 1.879,1116 6.392,1117 27.385,1118 3.078,1119 16.84,1120 21.589,1121 10.32,1122 34.547,1123 15.77,1124 1.805,1125 5.348,1126 29.284,1127 2.676,1128 17.995,1129 23.092,1130 11.038,1131 37.004,1132 16.851,1133 7081,1134 13718,1135 19.304,1136 26.211,1137 44.829,1138 44.612,1139 45.594,1140 44.286,1141 44.167,1142 60.098,1143 4.977,1144 130.577,1145 40.657,1146 5.495,1147 5.471,1148 6.624,1149 5.309,1150 5.283,1151 7.634,1152 3.598,1153 18.982,1154 5.047,1155 13.174,1156 1.546,1157 1.538,1158 1.572,1159 1.527,1160 1.523,1161 2.072,1162 0.172,1163 4.503,1164 1.402,1165 4.137,1166 4.186,1167 4.117,1168 3.993,1169 8.363,1170 4.016,1171 3.913,1172 3.979,1173 3.881,1174 3.692,1175 7.999,1176 3.728,1177 3.783,1178 3.847,1179 3.749,1180 3.565,1181 5.27,1182 3.605,1183 3.406,1184 3.473,1185 3.34,1186 3.205,1187 5.04,1188 3.23,1189 3.192,1190 3.28,1191 3.142,1192 2.919,1193 4.878,1194 2.931,1195 3.159,1196 3.247,1197 2.99,1198 2.849,1199 4.687,1200 2.899,1201 2.944,1202 3.023,1203 2.848,1204 2.781,1205 4.335,1206 2.782,1207 2.769,1208 2.874,1209 2.62,1210 2.476,1211 4.017,1212 2.504,1213 0.162,1214 0.12,1215 0.239,1216 0.145,1217 0.113,1218 4.697,1219 0.16,1220 3.471,1221 0.072,1222 6.943,1223 0.406,1224 4.209,1225 0.105,1226 3.283,1227 4.634,1228 2.088,1229 11.777,1230 3.047,1231 1.923,1232 1.893,1233 2.012,1234 2.056,1235 1.119,1236 2.034,1237 1.711,1238 1.648,1239 1.811,1240 1.929,1241 0.801,1242 1.905,1243 1.531,1244 1.478,1245 1.67,1246 1.82,1247 0.739,1248 1.749,1249 1.451,1250 1.371,1251 1.554,1252 1.74,1253 0.605,1254 1.709,1255 1.233,1256 1.166,1257 1.444,1258 1.463,1259 0.438,1260 1.477,1261 1.108,1262 1.013,1263 1.305,1264 1.42,1265 0.219,1266 1.4,1267 0.953,1268 0.895,1269 1.132,1270 1.176,1271 0.143,1272 1.166,1273 0.773,1274 0.701,1275 1.049,1276 1.074,1277 0.079,1278 1.05,1279 4.078,1281 5.425,1282 3.045,1283 6.95,1284 5.416,1285 8.562,1286 7.535,1287 10.222,1289 1.693,1291 25.461,1293 5.733,1296 2.92,1299 -2.727,1305 26.54,1306 68.892,1307 154.256,1308 181.766,1309 195.376,1310 197.376,1311 197.376,1312 36.922,1313 7.542,1314 112.36,1315 112.36,1316 22,1317 12.67,1318 4.459,1319 3.524,1320 37.731,1321 84,1322 93,1323 0.216,1324 162.28,1325 262.4,1326 387.724,1327 18397,1328 5.1,1329 18.259,1330 0.702,1331 0.519,1332 16.681,1333 13.505,1334 12.508,1335 0.431,1336 0.261,1337 7.369,1338 11.696,1339 7.276,1340 6.011,1341 11.597,1342 7.574,1343 11.878,1344 0.283,1345 0.128,1346 10.979,1347 5.384,1348 9.532,1349 0.17,1350 0.064,1351 8.811,1352 3.562,1353 8.604,1354 0.109,1355 0.032,1356 8.21,1357 2.528,1358 6.569,1359 0.068,1360 0.016,1361 6.182,1362 1.556,1363 0.328,1364 80.593,1365 0.228,1366 24.569,1367 0.629,1368 142,1369 579.383,1370 170.182,1371 506.879,1372 688.23,1373 474,1374 169,1375 512.758,1376 194.664,1377 504.043,1378 751.48,1379 473,1380 4.983}
{0 CHEMBL1760161,1 1.691,2 7.304,3 2.58,4 6.655,5 82.537,6 8.81,7 0.808,8 3.738,9 3.864,10 3.448,11 3.189,12 5.005,13 3.242,14 4.184,15 4.349,16 3.824,17 3.539,18 5.469,19 3.577,20 4.292,21 4.496,22 3.741,23 3.541,24 5.444,25 3.574,26 4.271,27 4.456,28 3.789,29 3.563,30 5.496,31 3.582,32 4.328,33 4.531,34 3.776,35 3.58,36 5.523,37 3.614,38 4.363,39 4.562,40 3.803,41 3.654,42 5.583,43 3.654,44 4.367,45 4.578,46 3.579,47 3.571,48 5.55,49 3.536,50 4.248,51 4.495,52 3.195,53 3.323,54 5.32,55 3.229,56 0.16,57 0.633,58 5.19,59 2.18,60 10.341,61 2.551,62 0.348,63 0.942,64 9.676,65 4.006,66 20.149,67 4.901,68 0.406,69 0.984,70 12.491,71 3.181,72 26.302,73 4.149,74 0.374,75 0.992,76 11.066,77 4.091,78 20.826,79 5.185,80 0.455,81 1.018,82 12.662,83 3.094,84 27.437,85 3.96,86 0.378,87 1.031,88 13.484,89 4.954,90 27.55,91 6.429,92 0.44,93 0.945,94 13.797,95 4.446,96 31.43,97 5.702,98 0.378,99 0.71,100 15.123,101 5.178,102 31.136,103 7.018,104 5,105 37,106 0.302,107 0.678,108 0.802,109 0.871,110 0.881,111 0.881,112 3.19,113 0.789,114 -4.83,115 -4.74,116 -4.45,119 40,120 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,162 1,163 1,164 1,165 1,166 1,172 3,174 6,175 6,177 2,178 5,180 1,183 2,187 4,190 1,195 1,198 5,199 8,201 2,202 4,204 3,209 1,211 2,212 4,217 2,223 3,224 8,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 2,237 6,242 2,245 4,247 2,249 1,250 5,252 1,253 1,255 2,258 2,260 2,262 1,263 1,265 1,266 1,275 752,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.223,282 19.355,283 9.361,284 16.223,285 12.909,286 12.909,287 12.909,288 12.909,289 12.909,290 9.173,291 30.609,292 4.517,293 13.751,294 3.438,295 1.332,296 0.639,297 0.25,298 0.193,299 0.193,300 3.887,303 1,304 1,305 1,306 369,307 2.236,310 94.981,311 117.017,314 84.741,318 1.1,319 19.252,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 51,331 168,332 4.697,333 3.375,334 6.943,335 4.209,336 3.282,337 4.633,338 0.4,339 11.776,340 3.047,341 4.124,342 2.807,343 5.854,344 3.619,345 2.7,346 3.798,348 8.163,349 2.483,350 3.941,351 2.672,352 5.556,353 3.507,354 2.558,355 3.498,357 7.486,358 2.425,359 3.611,360 2.307,361 5.286,362 3.145,363 2.204,364 3.047,366 6.59,367 2.069,368 3.262,369 2.084,370 4.933,371 2.799,372 1.879,373 2.565,375 5.507,376 1.731,377 3.232,378 1.965,379 4.618,380 2.787,381 1.863,382 2.481,384 4.963,385 1.713,386 2.93,387 1.474,388 4.526,389 2.409,390 1.455,391 2.128,393 4.258,394 1.387,395 2.859,396 1.407,397 3.643,398 2.371,399 1.386,400 2.023,402 2.994,403 1.361,404 2.557,405 1.175,406 3.514,407 2.091,408 1.12,409 1.581,411 2.52,412 1.085,413 2.118,414 0.618,415 3.327,416 1.604,417 0.618,418 0.927,420 1.401,421 0.609,422 1.996,423 0.552,424 3,425 1.466,426 0.522,427 0.762,428 1.372,429 0.492,430 1.177,431 0.016,432 2.775,433 0.806,434 -0.124,435 -0.157,436 -0.353,437 -0.115,438 1,439 -0.127,440 2.546,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.876,448 -0.265,449 2.382,450 0.45,451 -0.469,452 -0.587,454 -1.189,455 -0.431,456 0.632,457 -0.589,458 2.249,459 0.19,460 -0.76,461 -0.952,463 -1.947,464 -0.717,465 10.533,466 0.458,467 0.554,468 0.024,469 36.25,470 1.576,471 19,472 0.826,473 17.25,474 0.75,475 13.572,476 0.59,477 23.667,478 0.676,479 24.639,480 1.071,481 7.259,482 0.316,483 3.944,484 0.171,485 0.085,487 0.37,493 0.942,494 1.499,495 0.657,496 1.051,497 1.055,498 0.825,499 0.563,500 0.893,501 0.613,502 0.962,503 0.456,504 0.847,505 1.277,506 1.234,507 1.016,508 0.804,509 1.221,510 0.81,511 0.706,512 1.062,513 0.857,514 1.084,515 0.597,516 1.026,517 1.288,518 1.116,519 1.094,520 0.748,521 1.324,522 0.811,523 0.757,524 0.958,525 0.827,526 1.023,527 0.691,528 0.956,529 1.127,530 1.039,531 1.307,532 1.167,533 1.261,534 1.245,535 1.013,536 0.923,537 1.181,538 1.307,539 1.086,540 1.312,541 4.5,543 1.778,544 2.201,545 0.961,546 0.816,547 0.548,548 0.28,549 0.143,550 0.056,551 5286,552 16408,553 2.168,554 34.3,556 5,557 1,559 3,560 3,564 1.667,565 2.06,566 2.902,567 1.161,569 1,571 1,573 59.202,574 1.691,575 3.797,576 4.49,577 4.879,578 4.936,579 4.936,580 2.248,581 3.969,582 4.495,583 3.056,584 773.217,585 7.79,586 8662.14,587 1,588 1,590 1,591 179.525,592 1.302,593 4.469,594 0.173,596 0.048,597 0.065,598 0.027,599 0.023,600 0.015,601 0.01,602 0.008,603 0.009,604 0.38,605 0.33,606 1,607 0.503,608 104.682,609 -0.078,610 -0.332,611 0.045,612 -0.096,613 -0.227,614 -0.007,615 0.36,616 0.219,617 0.197,618 -0.019,619 0.346,620 0.015,621 -0.335,622 -0.174,623 -0.123,624 0.077,625 -0.351,626 0.05,627 0.168,628 0.02,629 -0.009,630 -0.159,631 0.226,632 -0.149,633 -0.324,634 -0.034,635 -0.217,636 0.11,637 -0.354,638 0.019,639 0.097,640 0.058,641 0.082,642 -0.03,643 0.227,644 0.011,645 -0.181,646 -0.055,647 -0.365,648 -0.202,649 -0.241,650 -0.29,651 -0.002,652 -0.11,653 -0.063,654 -0.231,655 0.001,656 -0.179,657 1.516,658 1.752,659 0.87,660 16.578,661 1.026,662 1.144,663 3.601,664 12.967,665 0.686,666 3.296,667 3.638,668 3.932,669 4.29,670 4.477,671 4.644,672 4.796,673 4.949,674 4.927,675 4.913,676 4.913,677 0.684,678 308.34,679 3.296,680 4.844,681 5.707,682 6.608,683 7.493,684 8.404,685 9.3,686 10.217,687 11.119,688 12.039,689 22.9,693 1,697 2,699 5,702 1,703 2,704 6,705 5,707 1,709 5,710 1,711 21,722 1,724 1,731 35,733 21,734 1,735 26,737 38,738 14,739 13,740 2,741 4,746 4,747 5,752 1,761 13,762 1,777 1,778 1,781 12,782 8,783 3,784 9,787 1,789 1,790 8,794 0.75,795 1,811 2,812 2,815 1,840 3,844 1,848 23,849 1,855 1,870 2.9,875 1,877 11.167,878 6.7,879 4.944,880 1.904,881 3.893,882 1.537,883 1.041,884 3.261,885 11.138,886 3.624,887 4.304,888 4.951,889 5.64,890 6.136,891 6.561,892 7.057,893 7.555,894 7.828,895 8.179,896 0.8,897 34,898 8.372,900 3.56,901 7.79,902 15.633,904 12.513,905 2.29,906 52.667,910 105.94,911 82.587,912 139.546,914 9.734,917 82.587,918 115.674,919 139.546,920 8.825,922 92.018,923 86.739,924 36.015,925 20.041,926 94.169,928 105.94,929 222.133,930 9.734,933 108.268,934 9.734,937 36.576,938 96.49,939 86.739,941 105.94,942 149.28,943 82.587,946 105.94,947 14.641,948 69.845,949 18.011,950 129.37,951 105.94,952 149.28,953 82.587,955 0.581,956 0.335,957 0.201,958 0.105,959 20,960 8,961 0.079,962 3,963 1,964 1.1,965 3.504,966 196.37,967 0.1,968 20,969 104.042,974 13.818,975 5.427,976 2.544,977 1.624,978 147.381,979 10.81,980 20.955,982 4.834,984 2.093,985 1.759,986 50.908,987 337.807,988 36.5,999 35.909,1000 40.026,1001 0.33,1002 0.74,1003 0.875,1004 0.951,1005 0.962,1006 0.962,1007 4.846,1008 1.386,1009 5.694,1010 4.258,1011 4.317,1012 4.99,1013 0.278,1014 6.526,1015 4.189,1016 6.08,1017 1.12,1018 7.253,1019 2.994,1020 3.892,1021 4.808,1023 7.438,1024 3.664,1025 7.399,1026 0.618,1027 8.914,1028 2.52,1029 5.916,1030 7.279,1031 0.05,1032 10.603,1033 5.643,1034 8.758,1035 0.522,1036 10.637,1037 1.401,1038 6.33,1039 7.966,1041 12.425,1042 5.953,1043 10.15,1044 -0.124,1045 12.404,1046 1.372,1047 7.819,1048 9.868,1049 0.008,1050 15.111,1051 7.394,1052 11.567,1053 -0.347,1054 14.202,1055 -0.353,1056 8.638,1057 10.988,1059 17.325,1060 8.116,1061 13.005,1062 -0.469,1063 16.025,1064 -0.891,1065 9.918,1066 12.656,1067 0.001,1068 19.858,1069 9.339,1070 3.282,1071 -0.76,1072 17.869,1073 -1.189,1074 10.932,1075 13.99,1077 22.23,1078 10.262,1079 2.7,1080 11.776,1081 19.729,1082 -1.947,1083 12.135,1084 15.564,1086 24.714,1087 11.401,1088 2.558,1089 8.163,1090 21.603,1091 4.633,1092 13.238,1093 17.001,1095 27.145,1096 12.42,1097 2.204,1098 7.486,1099 23.489,1100 3.798,1101 14.419,1102 18.54,1104 29.616,1105 13.531,1106 1.879,1107 6.59,1108 25.384,1109 3.498,1110 15.563,1111 20.025,1113 32.068,1114 14.595,1115 1.863,1116 5.507,1117 27.287,1118 3.047,1119 16.739,1120 21.553,1122 34.535,1123 15.699,1124 1.455,1125 4.963,1126 29.196,1127 2.565,1128 17.903,1129 23.061,1131 36.996,1132 16.786,1133 5007,1134 8984,1135 17.8,1136 24.023,1137 39.769,1138 38.944,1139 39.784,1140 39.282,1141 39.174,1142 54.886,1143 0.8,1144 114.06,1145 36.8,1146 5.493,1147 5.375,1148 6.624,1149 5.309,1150 5.282,1151 7.633,1152 0.8,1153 18.981,1154 5.047,1155 8.319,1156 1.53,1157 1.498,1158 1.53,1159 1.511,1160 1.507,1161 2.111,1162 0.031,1163 4.387,1164 1.415,1165 4.134,1166 4.181,1167 4.114,1168 3.992,1169 5.284,1170 4.014,1171 3.822,1172 3.853,1173 3.782,1174 3.604,1175 5.238,1176 3.64,1177 3.783,1178 3.844,1179 3.749,1180 3.56,1181 5.004,1182 3.602,1183 3.378,1184 3.439,1185 3.303,1186 3.191,1187 4.688,1188 3.213,1189 3.166,1190 3.274,1191 2.99,1192 2.914,1193 4.355,1194 2.92,1195 2.948,1196 3.029,1197 2.852,1198 2.782,1199 4.02,1200 2.783,1201 2.784,1202 2.882,1203 2.651,1204 2.489,1205 3.822,1206 2.519,1207 2.719,1208 2.808,1209 2.586,1210 2.475,1211 3.732,1212 2.499,1213 0.181,1214 0.13,1215 0.267,1216 0.162,1217 0.126,1218 4.697,1219 0.178,1220 3.375,1221 0.015,1222 6.943,1223 0.453,1224 4.209,1225 0.117,1226 3.282,1227 4.633,1228 0.4,1229 11.776,1230 3.047,1231 1.923,1232 1.893,1233 2.012,1234 2.056,1235 1.119,1236 2.034,1237 1.711,1238 1.648,1239 1.811,1240 1.929,1241 0.8,1242 1.905,1243 1.516,1244 1.462,1245 1.646,1246 1.743,1247 0.693,1248 1.71,1249 1.297,1250 1.245,1251 1.488,1252 1.552,1253 0.523,1254 1.517,1255 1.13,1256 1.045,1257 1.368,1258 1.45,1259 0.226,1260 1.454,1261 1.016,1262 0.964,1263 1.166,1264 1.395,1265 0.143,1266 1.328,1267 0.945,1268 0.891,1269 1.129,1270 1.161,1271 0.118,1272 1.152,1273 0.739,1274 0.668,1275 0.986,1276 0.988,1278 1.001,1279 3.97,1281 5.303,1282 3.045,1283 6.821,1284 5.352,1285 8.432,1286 7.424,1287 10.097,1289 1.755,1293 5.752,1296 3.085,1305 23.94,1306 59.202,1307 132.896,1308 157.16,1309 170.77,1310 172.77,1311 172.77,1312 22.719,1313 7.246,1314 120.57,1315 120.57,1316 22,1317 12.551,1318 4.459,1319 3.524,1320 31.482,1321 64,1322 64,1323 0.235,1324 147.494,1325 230.75,1326 351.645,1327 12471,1329 15.811,1330 0.687,1331 0.528,1332 15.811,1333 12.133,1334 11.204,1335 0.431,1336 0.263,1337 6.689,1338 10.561,1339 6.572,1340 5.465,1341 11.204,1342 6.84,1343 10.345,1344 0.28,1345 0.13,1346 10.345,1347 4.81,1348 8.482,1349 0.17,1350 0.064,1351 8.482,1352 3.191,1353 7.917,1354 0.11,1355 0.032,1356 7.917,1357 2.292,1358 5.828,1359 0.067,1360 0.016,1361 5.828,1362 1.394,1363 0.35,1364 71.505,1365 0.237,1366 21.949,1367 0.707,1368 126,1369 415.251,1370 145.586,1371 402.747,1372 568.63,1373 378,1374 150,1375 453.706,1376 169.559,1377 450.208,1378 659.09,1379 424,1380 6.076}
{0 CHEMBL1760162,1 1.531,2 8.889,3 3.492,4 12.194,5 99.801,6 8.51,7 0.839,8 3.905,9 4.04,10 3.593,11 3.419,12 5.116,13 3.447,14 4.369,15 4.535,16 3.991,17 3.801,18 5.597,19 3.811,20 4.528,21 4.729,22 3.978,23 3.838,24 5.652,25 3.848,26 4.54,27 4.743,28 3.971,29 3.813,30 5.702,31 3.808,32 4.541,33 4.763,34 3.906,35 3.773,36 5.668,37 3.783,38 4.545,39 4.756,40 3.978,41 3.863,42 5.699,43 3.852,44 4.574,45 4.785,46 3.877,47 3.873,48 5.716,49 3.842,50 4.547,51 4.779,52 3.695,53 3.82,54 5.602,55 3.737,56 0.108,57 0.772,58 6.68,59 2.78,60 9.478,61 3.345,62 0.318,63 1.188,64 11.99,65 5.052,66 21.307,67 6.445,68 0.308,69 1.304,70 16.061,71 4.909,72 24.576,73 6.382,74 0.394,75 1.311,76 16.063,77 5.451,78 26.139,79 7.186,80 0.426,81 1.282,82 17.316,83 4.315,84 31.629,85 5.56,86 0.35,87 1.299,88 17.21,89 5.998,90 28.648,91 8.083,92 0.375,93 1.311,94 17.2,95 5.492,96 32.43,97 7.033,98 0.295,99 1.189,100 18.443,101 6.882,102 29.43,103 9.411,104 5,105 45,106 0.26,107 0.622,108 0.744,109 0.841,110 0.881,111 0.889,112 3.341,113 0.808,114 -5.26,115 -5.15,116 -4.82,119 42.9,120 1,142 8,143 1,146 2,149 1,150 2,152 1,153 1,162 1,163 1,164 1,165 1,168 1,172 7,174 6,175 6,177 2,178 4,179 1,180 2,183 6,187 6,190 1,192 3,195 3,198 3,199 9,201 2,202 6,204 7,209 1,211 2,212 6,217 3,223 1,224 10,226 1,227 4,228 1,229 4,231 1,232 3,234 1,236 2,237 8,242 4,245 6,247 2,250 8,253 1,254 1,255 3,257 1,258 8,260 2,262 1,263 4,265 1,266 1,268 1,271 7,273 1,275 1096,276 18.602,277 18.602,278 18.602,279 18.602,280 18.602,281 15.549,282 19.355,283 10.916,284 19.113,285 15.374,286 15.374,287 15.374,288 15.374,289 15.374,290 10.802,291 30.609,292 5.231,293 16.257,294 3.862,295 1.732,296 1.018,297 0.447,298 0.208,299 0.161,300 4.055,303 1,304 1,305 1,306 539,307 2.449,310 96.735,311 195.267,314 188.517,318 1.177,319 19.912,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 58.5,331 240,332 4.702,333 3.383,334 6.945,335 4.217,336 3.289,337 4.638,338 0.4,339 11.785,340 3.061,341 4.517,342 3.092,343 6.528,344 4.021,345 3.05,346 4.468,348 10.281,349 2.958,350 4.123,351 2.792,352 5.853,353 3.618,354 2.696,355 3.798,357 8.162,358 2.483,359 3.663,360 2.378,361 5.467,362 3.219,363 2.275,364 3.095,366 7.043,367 2.14,368 3.428,369 2.209,370 5.185,371 2.99,372 2.059,373 2.775,375 6.23,376 1.918,377 3.232,378 2.08,379 4.91,380 2.796,381 1.879,382 2.51,384 5.287,385 1.721,386 3.201,387 1.807,388 4.618,389 2.698,390 1.753,391 2.481,393 4.963,394 1.652,395 3.045,396 1.546,397 4.526,398 2.528,399 1.546,400 2.318,402 4.258,403 1.515,404 2.927,405 1.469,406 4.168,407 2.401,408 1.451,409 2.125,411 3.721,412 1.376,413 2.844,414 1.384,415 3.635,416 2.354,417 1.367,418 2.003,420 2.978,421 1.347,422 2.619,423 1.16,424 3.582,425 2.116,426 1.14,427 1.676,428 2.729,429 1.11,430 2.091,431 0.683,432 3.447,433 1.615,434 0.639,435 0.913,436 1.551,437 0.622,438 1.991,439 0.54,440 3.143,441 1.461,442 0.514,443 0.753,445 1.334,446 0.486,447 1.209,448 0.014,449 2.832,450 0.824,451 -0.109,452 -0.14,454 -0.306,455 -0.101,456 1,457 -0.127,458 2.583,459 0.572,460 -0.347,461 -0.445,463 -0.891,464 -0.318,465 12.6,466 0.467,467 0.657,468 0.024,469 42.5,470 1.574,471 23,472 0.852,473 19.5,474 0.722,475 17.5,476 0.648,477 27,478 0.643,479 30.342,480 1.124,481 8.409,482 0.311,483 4.778,484 0.177,485 0.071,487 0.389,493 1.038,494 1.321,495 0.691,496 0.934,497 1.121,498 0.781,499 0.442,500 0.911,501 0.647,502 0.948,503 0.472,504 0.86,505 1.373,506 1.261,507 0.953,508 0.93,509 1.108,510 0.872,511 0.909,512 1.122,513 0.962,514 1.104,515 0.724,516 1.055,517 1.718,518 1.065,519 1.15,520 0.767,521 1.435,522 0.83,523 0.832,524 1,525 0.788,526 0.911,527 0.718,528 0.854,529 1.378,530 1.001,531 1.213,532 0.97,533 1.286,534 1.041,535 0.83,536 0.979,537 1.081,538 1.153,539 0.986,540 1.164,541 5,542 0.054,543 2.667,544 2.646,545 1.063,546 0.876,547 0.7,548 0.451,549 0.227,550 0.177,551 8603,552 23477,553 2.208,554 35.7,556 8,559 4,560 3,564 1.708,565 2.104,566 3.138,567 1.771,569 1,573 64.286,574 1.531,575 3.66,576 4.374,577 4.946,578 5.184,579 5.231,580 2.476,581 4.18,582 4.729,583 3.279,584 1150.98,585 8.249,586 14320.1,587 1,588 1,590 1,591 226.477,592 1.28,593 4.703,594 0.161,595 0.005,596 0.059,597 0.06,598 0.025,599 0.022,600 0.016,601 0.012,602 0.007,603 0.008,604 0.376,605 0.17,606 0.88,607 0.454,608 130.631,609 -0.13,610 -0.168,611 0.038,612 -0.01,613 -0.273,614 0.036,615 0.518,616 0.197,617 0.164,618 -0.014,619 0.331,620 0.001,621 -0.282,622 -0.203,623 -0.049,624 -0.025,625 -0.212,626 0.003,627 0.19,628 -0.069,629 -0.048,630 -0.199,631 0.182,632 -0.176,633 -0.453,635 -0.198,636 0.086,637 -0.357,638 0.013,639 0.147,640 0.01,641 0.149,642 0.053,643 0.241,644 0.092,645 -0.335,646 0.036,647 -0.295,648 -0.041,649 -0.252,650 -0.137,651 -0.014,652 -0.055,653 -0.092,654 -0.111,655 -0.024,656 -0.116,657 1.506,658 1.838,659 0.889,660 20.793,661 1.014,662 1.136,663 4.035,664 16.28,665 0.698,666 3.466,667 3.829,668 4.159,669 4.522,670 4.745,671 4.89,672 5.075,673 5.278,674 5.333,675 5.442,676 5.569,677 0.685,678 357.42,679 3.466,680 5.03,681 5.911,682 6.821,683 7.719,684 8.637,685 9.543,686 10.464,687 11.375,688 12.297,689 21.4,693 1,697 3,699 5,702 1,703 4,704 8,705 5,706 1,709 5,710 1,711 26,722 1,724 1,731 42,733 26,734 2,735 31,737 46,738 18,739 17,740 4,741 8,746 5,747 7,752 1,761 17,762 1,777 1,778 1,781 15,782 7,783 4,784 9,787 1,790 9,794 0.6,803 1,811 2,812 3,815 2,840 3,844 1,848 27,849 1,855 1,877 12.833,878 7.95,879 5.75,880 2.358,881 5.176,882 1.646,883 1.085,884 3.604,885 13.185,886 3.807,887 4.522,888 5.215,889 5.918,890 6.466,891 6.864,892 7.369,893 7.893,894 8.188,895 8.649,896 0.833,897 44,898 9.872,900 4.273,901 7.685,902 18.694,904 15.429,905 2.185,906 59,909 1,910 129.482,911 103.994,912 153.275,917 103.994,918 129.482,919 153.275,920 8.825,922 108.707,923 83.805,924 49.989,925 5.942,926 129.482,928 129.482,929 257.269,933 131.81,937 57.712,938 113.424,939 83.805,941 129.482,942 153.275,943 103.994,946 129.482,947 19.358,948 86.534,949 34.674,950 116.702,951 129.482,952 153.275,953 103.994,955 0.587,956 0.347,957 0.208,958 0.112,959 25,960 10,961 0.065,962 3,963 2,964 1.167,965 3.857,966 253.111,967 0.167,968 24,969 128.382,974 15.881,975 6.127,976 2.718,977 3.486,978 134.713,979 15.582,980 21.788,981 3.016,984 2.387,985 1.815,986 67.571,987 386.751,988 44,999 42.567,1000 47.73,1001 0.284,1002 0.679,1003 0.811,1004 0.917,1005 0.961,1006 0.97,1007 5.04,1008 1.546,1009 5.905,1010 4.963,1011 4.511,1012 5.209,1013 0.278,1014 6.763,1015 4.399,1016 6.287,1017 1.451,1018 7.483,1019 4.258,1020 4.111,1021 5.094,1023 7.722,1024 3.92,1025 7.621,1026 1.367,1027 9.161,1028 3.721,1029 6.138,1030 7.554,1031 0.05,1032 10.885,1033 5.907,1034 8.994,1035 1.14,1036 10.901,1037 2.978,1038 6.581,1039 8.305,1041 12.727,1042 6.272,1043 10.401,1044 0.639,1045 12.682,1046 2.729,1047 8.076,1048 10.21,1049 0.008,1050 15.401,1051 7.728,1052 11.835,1053 0.514,1054 14.493,1055 1.551,1056 8.918,1057 11.378,1059 17.607,1060 8.497,1061 13.288,1062 -0.109,1063 16.326,1064 1.334,1065 10.203,1066 13.052,1067 0.001,1068 20.121,1069 9.737,1070 3.289,1071 -0.347,1072 18.177,1073 -0.306,1074 11.227,1075 14.413,1077 22.472,1078 10.693,1079 3.05,1080 11.785,1081 20.041,1082 -0.891,1083 12.431,1084 15.992,1086 24.936,1087 11.846,1088 2.696,1089 10.281,1090 21.916,1091 4.638,1092 13.535,1093 17.439,1095 27.345,1096 12.884,1097 2.275,1098 8.162,1099 23.8,1100 4.468,1101 14.712,1102 18.979,1104 29.797,1105 14.004,1106 2.059,1107 7.043,1108 25.692,1109 3.798,1110 15.852,1111 20.466,1113 32.23,1114 15.078,1115 1.879,1116 6.23,1117 27.589,1118 3.095,1119 17.021,1120 21.991,1122 34.681,1123 16.187,1124 1.753,1125 5.287,1126 29.491,1127 2.775,1128 18.178,1129 23.495,1131 37.126,1132 17.278,1133 7923,1134 13260,1135 21.383,1136 29.336,1137 47.867,1138 47.132,1139 48.53,1140 47.409,1141 47.317,1142 67.106,1143 0.8,1144 140.644,1145 44.781,1146 5.503,1147 5.383,1148 6.627,1149 5.317,1150 5.289,1151 7.638,1152 0.8,1153 18.996,1154 5.061,1155 9.359,1156 1.544,1157 1.52,1158 1.565,1159 1.529,1160 1.526,1161 2.165,1162 0.026,1163 4.537,1164 1.445,1165 4.159,1166 4.207,1167 4.136,1168 4.021,1169 5.272,1170 4.042,1171 4.05,1172 4.091,1173 4.019,1174 3.943,1175 5.108,1176 3.955,1177 3.783,1178 3.847,1179 3.749,1180 3.567,1181 4.987,1182 3.606,1183 3.462,1184 3.529,1185 3.381,1186 3.276,1187 4.688,1188 3.297,1189 3.316,1190 3.389,1191 3.232,1192 3.124,1193 4.423,1194 3.143,1195 3.165,1196 3.274,1197 2.99,1198 2.913,1199 4.326,1200 2.919,1201 2.953,1202 3.035,1203 2.858,1204 2.791,1205 4.019,1206 2.79,1207 2.912,1208 2.976,1209 2.804,1210 2.78,1211 3.848,1212 2.778,1213 0.152,1214 0.109,1215 0.224,1216 0.136,1217 0.106,1218 4.702,1219 0.15,1220 3.383,1221 0.013,1222 6.945,1223 0.38,1224 4.217,1225 0.099,1226 3.289,1227 4.638,1228 0.4,1229 11.785,1230 3.061,1231 1.926,1232 1.899,1233 2.015,1234 2.059,1235 1.13,1236 2.036,1237 1.917,1238 1.891,1239 2.01,1240 1.993,1241 1.115,1242 2.001,1243 1.707,1244 1.645,1245 1.81,1246 1.926,1247 0.798,1248 1.903,1249 1.471,1250 1.395,1251 1.589,1252 1.779,1253 0.626,1254 1.727,1255 1.244,1256 1.168,1257 1.455,1258 1.533,1259 0.442,1260 1.505,1261 1.113,1262 1.016,1263 1.319,1264 1.436,1265 0.22,1266 1.432,1267 0.965,1268 0.906,1269 1.14,1270 1.195,1271 0.194,1272 1.185,1273 0.941,1274 0.889,1275 1.127,1276 1.108,1277 0.143,1278 1.117,1279 4.143,1281 5.493,1282 3.045,1283 7.036,1284 5.476,1285 8.67,1286 7.636,1287 10.352,1289 1.774,1293 5.838,1296 3.315,1305 28.773,1306 64.286,1307 153.722,1308 183.722,1309 207.722,1310 217.722,1311 219.722,1312 28.053,1313 8.008,1314 123.22,1315 123.22,1316 28,1317 12.807,1318 4.755,1319 3.807,1320 35.443,1321 88,1322 90,1323 0.194,1324 175.413,1325 273.62,1326 419.767,1327 34276,1329 18.38,1330 0.681,1331 0.533,1332 18.38,1333 14.379,1334 13.187,1335 0.425,1336 0.269,1337 8.211,1338 12.624,1339 8.053,1340 6.684,1341 13.187,1342 8.35,1343 12.241,1344 0.272,1345 0.134,1346 12.241,1347 6.041,1348 10.459,1349 0.166,1350 0.067,1351 10.459,1352 4.212,1353 9.782,1354 0.107,1355 0.034,1356 9.782,1357 3.066,1358 7.728,1359 0.068,1360 0.017,1361 7.728,1362 1.967,1363 0.294,1364 82.858,1365 0.216,1366 25.267,1367 0.569,1368 152,1369 435.849,1370 170.428,1371 433.353,1372 621.49,1373 408,1374 184,1375 498.043,1376 202.956,1377 501.282,1378 741.71,1379 474,1380 6.018}
{0 CHEMBL1760163,1 1.561,2 7.304,3 2.031,4 4.123,5 84.469,6 8.538,7 0.808,8 3.755,9 3.9,10 3.44,11 3.21,12 4.99,13 3.253,14 4.207,15 4.387,16 3.816,17 3.571,18 5.461,19 3.596,20 4.323,21 4.535,22 3.742,23 3.586,24 5.452,25 3.601,26 4.315,27 4.52,28 3.783,29 3.591,30 5.494,31 3.598,32 4.35,33 4.565,34 3.769,35 3.617,36 5.523,37 3.636,38 4.39,39 4.597,40 3.793,41 3.699,42 5.564,43 3.681,44 4.406,45 4.632,46 3.57,47 3.635,48 5.552,49 3.574,50 4.313,51 4.584,52 3.186,53 3.392,54 5.312,55 3.269,56 0.123,57 0.669,58 5.841,59 2.134,60 9.394,61 2.752,62 0.319,63 0.985,64 10.6,65 3.905,66 20.909,67 5.188,68 0.34,69 1.017,70 13.35,71 3.518,72 23.518,73 4.937,74 0.333,75 1.018,76 12.955,77 4.219,78 21.607,79 5.889,80 0.425,81 1.048,82 13.748,83 3.296,84 27.636,85 4.477,86 0.304,87 1.086,88 14.329,89 5.017,90 24.508,91 6.988,92 0.383,93 1.012,94 14.987,95 4.815,96 31.551,97 6.603,98 0.279,99 0.789,100 16.431,101 5.17,102 27.441,103 7.826,104 5,105 37,106 0.277,107 0.69,108 0.826,109 0.875,110 0.885,111 0.885,112 3.19,113 0.799,114 -4.02,115 -3.97,116 -3.76,119 38.9,120 1,142 4,144 1,145 1,146 1,149 1,150 2,151 1,152 1,162 1,163 1,164 1,165 1,168 1,172 3,174 6,175 4,177 2,178 4,183 2,187 4,190 1,191 1,195 1,198 3,199 6,201 2,202 4,204 3,209 1,211 2,212 4,215 2,217 2,223 1,224 4,226 1,227 2,228 1,229 2,231 1,232 1,234 1,236 2,237 4,240 2,242 4,245 2,247 2,250 3,255 3,258 1,260 1,262 1,263 1,265 1,266 2,267 1,268 1,270 1,275 752,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.223,282 19.355,283 9.361,284 16.242,285 12.909,286 12.909,287 12.909,288 12.909,289 12.909,290 9.173,291 30.609,292 4.517,293 13.782,294 3.609,295 1.285,296 0.521,297 0.243,298 0.188,299 0.188,300 3.887,303 1,304 1,305 1,306 369,307 2.236,310 94.981,311 117.017,314 84.741,318 1.1,319 17.684,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 50.5,331 168,332 4.697,333 3.375,334 6.943,335 4.209,336 3.282,337 4.633,338 0.4,339 11.776,340 3.047,341 4.124,342 2.807,343 5.854,344 3.62,345 2.7,346 3.798,348 8.163,349 2.483,350 3.941,351 2.672,352 5.556,353 3.515,354 2.558,355 3.498,357 7.486,358 2.442,359 3.611,360 2.307,361 5.286,362 3.144,363 2.204,364 3.047,366 6.59,367 2.067,368 3.262,369 2.084,370 4.933,371 2.798,372 1.879,373 2.565,375 5.507,376 1.728,377 3.232,378 1.965,379 4.618,380 2.783,381 1.863,382 2.481,384 4.963,385 1.709,386 2.93,387 1.474,388 4.526,389 2.407,390 1.455,391 2.128,393 4.258,394 1.383,395 2.859,396 1.407,397 3.643,398 2.368,399 1.386,400 2.023,402 2.994,403 1.358,404 2.557,405 1.175,406 3.514,407 2.075,408 1.12,409 1.581,411 2.52,412 1.066,413 2.118,414 0.618,415 3.327,416 1.547,417 0.618,418 0.927,420 1.401,421 0.572,422 1.996,423 0.552,424 3,425 1.466,426 0.522,427 0.762,428 1.372,429 0.492,430 1.177,431 0.016,432 2.775,433 0.812,434 -0.124,435 -0.157,436 -0.353,437 -0.116,438 1,439 -0.127,440 2.546,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.876,448 -0.265,449 2.382,450 0.45,451 -0.469,452 -0.587,454 -1.189,455 -0.431,456 0.632,457 -0.589,458 2.249,459 0.19,460 -0.76,461 -0.952,463 -1.947,464 -0.718,465 10.6,466 0.461,467 0.554,468 0.024,469 36,470 1.565,471 19,472 0.826,473 17,474 0.739,475 13.828,476 0.601,477 23.6,478 0.656,479 24.383,480 1.06,481 7.178,482 0.312,483 4.026,484 0.175,485 0.085,487 0.368,493 1.082,494 1.479,495 0.698,496 1.015,497 1.132,498 0.815,499 0.552,500 0.953,501 0.657,502 0.943,503 0.482,504 0.845,505 1.379,506 1.167,507 1.026,508 0.895,509 1.2,510 0.884,511 0.806,512 1.135,513 0.833,514 1.071,515 0.607,516 0.978,517 1.537,518 0.879,519 1.128,520 0.675,521 1.404,522 0.786,523 0.805,524 1.125,525 0.861,526 1.091,527 0.719,528 1.006,529 1.121,530 0.935,531 1.323,532 1.173,533 1.272,534 1.272,535 0.856,536 1.18,537 1.155,538 1.371,539 1.04,540 1.338,541 4.5,543 1.778,544 2.201,545 0.961,546 0.816,547 0.548,548 0.28,549 0.143,550 0.056,551 5286,552 15594,553 2.168,554 36.1,556 4,557 1,558 1,559 4,560 3,564 1.667,565 2.06,566 2.902,567 1.951,568 1,569 1,571 1,573 56.179,574 1.561,575 3.885,576 4.649,577 4.927,578 4.982,579 4.982,580 2.248,581 3.969,582 4.495,583 3.056,584 773.217,585 7.79,586 8662.14,587 1,588 1,590 1,591 186.117,592 1.302,593 4.469,594 0.173,596 0.048,597 0.065,598 0.027,599 0.023,600 0.015,601 0.01,602 0.008,603 0.009,604 0.38,605 0.33,606 1,607 0.503,608 104.682,609 -0.177,610 -0.287,611 0.033,612 -0.062,613 -0.281,614 0.016,615 0.421,616 0.172,617 0.168,618 0.004,619 0.336,620 0.025,621 -0.323,622 -0.113,623 -0.127,624 0.013,625 -0.318,626 -0.008,627 0.176,628 -0.086,629 0.062,630 -0.121,631 0.259,632 -0.067,633 -0.397,634 0.201,635 -0.236,636 0.191,637 -0.375,638 0.045,639 0.06,640 -0.102,641 0.04,642 -0.077,643 0.193,644 -0.033,645 -0.187,646 0.065,647 -0.394,648 -0.195,649 -0.257,650 -0.314,651 -0.025,652 -0.351,653 -0.074,654 -0.309,655 -0.032,656 -0.222,657 1.5,658 1.764,659 0.87,660 16.578,661 1.019,662 1.148,663 2.789,664 7.778,665 0.683,666 3.296,667 3.638,668 3.932,669 4.29,670 4.477,671 4.644,672 4.796,673 4.949,674 4.927,675 4.913,676 4.913,677 0.674,678 307.36,679 3.296,680 4.844,681 5.707,682 6.608,683 7.493,684 8.404,685 9.3,686 10.217,687 11.119,688 12.039,689 25,693 1,697 3,699 5,702 1,703 2,704 6,705 5,706 1,709 5,710 1,711 21,722 1,724 1,731 36,733 21,734 1,735 26,737 39,738 14,739 13,740 2,741 4,746 4,747 5,752 1,761 13,762 1,777 1,778 1,781 13,782 7,783 4,784 9,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,840 3,844 1,848 23,849 1,855 1,877 11.167,878 6.783,879 4.944,880 1.938,881 3.893,882 1.537,883 1.057,884 3.261,885 11.138,886 3.624,887 4.304,888 4.951,889 5.64,890 6.136,891 6.561,892 7.057,893 7.555,894 7.828,895 8.179,896 0.8,897 34,898 8.381,900 3.561,901 7.746,902 15.731,904 12.647,905 2.246,906 51.667,910 105.94,911 79.895,912 153.275,917 79.895,918 105.94,919 153.275,920 8.825,922 79.85,923 95.576,924 54.748,925 17.713,926 82.398,928 105.94,929 233.17,933 108.268,937 62.287,938 84.75,939 83.805,941 105.94,942 153.275,943 79.895,946 105.94,947 15.07,948 66.724,949 34.674,950 116.702,951 105.94,952 153.275,953 79.895,955 0.581,956 0.335,957 0.201,958 0.105,959 20,960 8,961 0.077,962 3,963 1,964 1.1,965 3.504,966 196.37,967 0.1,968 20,969 104.042,974 13.818,975 5.427,976 2.544,977 1.679,978 134.713,979 11.114,980 21.131,981 2.75,984 2.465,985 1.799,986 67.571,987 339.11,988 36.5,999 36.683,1000 41.315,1001 0.302,1002 0.751,1003 0.899,1004 0.953,1005 0.964,1006 0.964,1007 4.846,1008 1.386,1009 5.694,1010 4.258,1011 4.317,1012 4.99,1013 0.278,1014 6.526,1015 4.186,1016 6.08,1017 1.12,1018 7.253,1019 2.994,1020 3.892,1021 4.808,1023 7.438,1024 3.678,1025 7.399,1026 0.618,1027 8.914,1028 2.52,1029 5.916,1030 7.279,1031 0.05,1032 10.603,1033 5.641,1034 8.758,1035 0.522,1036 10.637,1037 1.401,1038 6.33,1039 7.966,1041 12.425,1042 5.965,1043 10.15,1044 -0.124,1045 12.404,1046 1.372,1047 7.819,1048 9.868,1049 0.008,1050 15.111,1051 7.396,1052 11.567,1053 -0.347,1054 14.202,1055 -0.353,1056 8.638,1057 10.988,1059 17.325,1060 8.126,1061 13.005,1062 -0.469,1063 16.025,1064 -0.891,1065 9.918,1066 12.656,1067 0.001,1068 19.858,1069 9.344,1070 3.282,1071 -0.76,1072 17.869,1073 -1.189,1074 10.932,1075 13.99,1077 22.23,1078 10.271,1079 2.7,1080 11.776,1081 19.729,1082 -1.947,1083 12.135,1084 15.564,1086 24.714,1087 11.407,1088 2.558,1089 8.163,1090 21.603,1091 4.633,1092 13.238,1093 17.001,1095 27.145,1096 12.428,1097 2.204,1098 7.486,1099 23.489,1100 3.798,1101 14.419,1102 18.54,1104 29.616,1105 13.537,1106 1.879,1107 6.59,1108 25.384,1109 3.498,1110 15.563,1111 20.025,1113 32.068,1114 14.602,1115 1.863,1116 5.507,1117 27.287,1118 3.047,1119 16.739,1120 21.553,1122 34.535,1123 15.705,1124 1.455,1125 4.963,1126 29.196,1127 2.565,1128 17.903,1129 23.061,1131 36.996,1132 16.792,1133 5007,1134 8746,1135 17.8,1136 24.574,1137 39.769,1138 38.944,1139 39.784,1140 39.217,1141 39.174,1142 54.886,1143 0.8,1144 114.06,1145 36.696,1146 5.493,1147 5.375,1148 6.624,1149 5.309,1150 5.282,1151 7.633,1152 0.8,1153 18.981,1154 5.047,1155 8.319,1156 1.53,1157 1.498,1158 1.53,1159 1.508,1160 1.507,1161 2.111,1162 0.031,1163 4.387,1164 1.411,1165 4.136,1166 4.184,1167 4.115,1168 3.993,1169 5.271,1170 4.016,1171 3.864,1172 3.935,1173 3.811,1174 3.66,1175 5.07,1176 3.688,1177 3.783,1178 3.847,1179 3.749,1180 3.564,1181 4.97,1182 3.605,1183 3.38,1184 3.448,1185 3.305,1186 3.19,1187 4.687,1188 3.212,1189 3.166,1190 3.275,1191 2.99,1192 2.914,1193 4.351,1194 2.92,1195 2.948,1196 3.033,1197 2.853,1198 2.782,1199 4.019,1200 2.783,1201 2.789,1202 2.896,1203 2.658,1204 2.476,1205 3.79,1206 2.505,1207 2.726,1208 2.831,1209 2.587,1210 2.451,1211 3.723,1212 2.485,1213 0.181,1214 0.13,1215 0.267,1216 0.162,1217 0.126,1218 4.697,1219 0.178,1220 3.375,1221 0.015,1222 6.943,1223 0.453,1224 4.209,1225 0.117,1226 3.282,1227 4.633,1228 0.4,1229 11.776,1230 3.047,1231 1.923,1232 1.893,1233 2.012,1234 2.056,1235 1.119,1236 2.034,1237 1.712,1238 1.65,1239 1.812,1240 1.93,1241 0.804,1242 1.906,1243 1.543,1244 1.488,1245 1.669,1246 1.766,1247 0.731,1248 1.738,1249 1.28,1250 1.205,1251 1.48,1252 1.651,1253 0.513,1254 1.596,1255 1.223,1256 1.125,1257 1.416,1258 1.463,1259 0.249,1260 1.477,1261 1.109,1262 1.014,1263 1.315,1264 1.419,1265 0.215,1266 1.4,1267 0.952,1268 0.895,1269 1.131,1270 1.166,1271 0.143,1272 1.161,1273 0.756,1274 0.684,1275 1.027,1276 0.988,1277 0.036,1278 1.005,1279 3.97,1281 5.303,1282 3.045,1283 6.821,1284 5.352,1285 8.432,1286 7.424,1287 10.097,1289 1.768,1293 5.764,1296 3.196,1305 24.246,1306 56.179,1307 139.853,1308 167.362,1309 177.362,1310 179.362,1311 179.362,1312 22.492,1313 7.246,1314 123.22,1315 123.22,1316 22,1317 12.551,1318 4.459,1319 3.524,1320 31.482,1321 64,1322 64,1323 0.235,1324 150.292,1325 232.96,1326 358.472,1327 12471,1329 15.811,1330 0.687,1331 0.532,1332 15.811,1333 12.225,1334 11.204,1335 0.431,1336 0.266,1337 6.782,1338 10.62,1339 6.654,1340 5.541,1341 11.204,1342 6.924,1343 10.345,1344 0.28,1345 0.133,1346 10.345,1347 4.912,1348 8.482,1349 0.17,1350 0.065,1351 8.482,1352 3.268,1353 7.917,1354 0.11,1355 0.033,1356 7.917,1357 2.349,1358 5.828,1359 0.067,1360 0.016,1361 5.828,1362 1.418,1363 0.35,1364 71.051,1365 0.237,1366 21.949,1367 0.707,1368 126,1369 385.849,1370 143.707,1371 381.088,1372 540.63,1373 358,1374 150,1375 429.409,1376 167.818,1377 430.877,1378 632.27,1379 406,1380 6.337}
{0 CHEMBL1760164,1 1.549,2 7.375,3 2.361,4 5.574,5 88.619,6 8.241,7 0.778,8 3.821,9 3.966,10 3.481,11 3.269,12 5.024,13 3.304,14 4.294,15 4.489,16 3.87,17 3.627,18 5.508,19 3.649,20 4.407,21 4.62,22 3.821,23 3.668,24 5.529,25 3.685,26 4.431,27 4.634,28 3.831,29 3.705,30 5.584,31 3.688,32 4.484,33 4.722,34 3.826,35 3.684,36 5.587,37 3.691,38 4.473,39 4.686,40 3.87,41 3.775,42 5.629,43 3.76,44 4.51,45 4.729,46 3.694,47 3.756,48 5.627,49 3.698,50 4.467,51 4.728,52 3.367,53 3.612,54 5.469,55 3.489,56 0.103,57 0.707,58 6.815,59 2.421,60 8.431,61 3.338,62 0.36,63 1.047,64 13.018,65 4.299,66 22.63,67 6.026,68 0.342,69 1.109,70 15.299,71 3.576,72 24.14,73 5.414,74 0.367,75 1.128,76 15.015,77 4.981,78 22.823,79 7.042,80 0.408,81 1.134,82 18.017,83 4.089,84 30.852,85 6.4,86 0.376,87 1.177,88 16.524,89 5.164,90 26.929,91 7.391,92 0.337,93 1.145,94 17.087,95 5.359,96 29.308,97 7.713,98 0.335,99 0.961,100 18.771,101 6.024,102 31.533,103 8.966,104 10,105 39,106 0.271,107 0.667,108 0.803,109 0.864,110 0.873,111 0.873,112 3.23,113 0.814,114 -4.68,115 -4.6,116 -4.32,119 38.5,120 1,124 1,142 5,145 1,146 1,149 1,150 2,152 1,153 1,162 1,163 1,164 1,165 1,166 1,172 3,174 6,175 6,177 2,178 5,180 1,183 2,187 4,190 1,195 1,198 5,199 8,201 2,202 4,204 3,209 1,211 2,212 4,217 2,223 3,224 8,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 2,237 6,242 2,245 4,247 2,249 1,250 5,252 1,253 1,255 2,258 2,260 2,262 1,263 1,265 1,266 1,275 834,276 16.24,277 16.24,278 16.24,279 16.24,280 16.24,281 13.67,282 20.473,283 9.503,284 16.775,285 13.37,286 13.37,287 13.37,288 13.37,289 13.37,290 9.557,291 30.912,292 4.55,293 14.303,294 3.737,295 1.471,296 0.695,297 0.346,298 0.295,299 0.295,300 3.925,303 1,304 1,305 1,306 386,307 2.345,310 100.376,311 122.42,314 89.067,318 1.125,319 18.037,320 1,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 52.5,331 177,332 4.698,333 3.38,334 6.944,335 4.211,336 3.285,337 4.634,338 0.4,339 11.78,340 3.048,341 4.19,342 2.942,343 6.059,344 3.753,345 2.816,346 3.819,348 8.706,349 2.638,350 4.123,351 2.784,352 5.85,353 3.617,354 2.693,355 3.798,357 8.16,358 2.483,359 3.63,360 2.333,361 5.413,362 3.171,363 2.231,364 3.062,366 6.835,367 2.091,368 3.28,369 2.095,370 5.031,371 2.828,372 1.91,373 2.577,375 5.766,376 1.753,377 3.232,378 2.052,379 4.618,380 2.795,381 1.879,382 2.481,384 4.963,385 1.718,386 2.932,387 1.494,388 4.526,389 2.419,390 1.461,391 2.13,393 4.261,394 1.4,395 2.868,396 1.445,397 4.08,398 2.38,399 1.405,400 2.033,402 3.422,403 1.365,404 2.592,405 1.299,406 3.621,407 2.171,408 1.205,409 1.625,411 2.92,412 1.162,413 2.544,414 1.136,415 3.455,416 2.031,417 1.093,418 1.563,420 2.38,421 1.022,422 1.996,423 0.552,424 3.389,425 1.466,426 0.523,427 0.762,428 1.403,429 0.492,430 1.225,431 0.07,432 2.86,433 0.86,434 -0.068,435 -0.085,436 -0.184,437 -0.063,438 1,439 -0.126,440 2.585,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.902,448 -0.261,449 2.382,450 0.472,451 -0.446,452 -0.566,454 -1.138,455 -0.41,456 0.699,457 -0.419,458 2.266,459 0.306,460 -0.634,461 -0.759,463 -1.489,464 -0.593,465 11.1,466 0.463,467 0.644,468 0.027,469 36.75,470 1.531,471 19,472 0.792,473 17.75,474 0.74,475 15.408,476 0.642,477 24.9,478 0.638,479 25.877,480 1.078,481 7.316,482 0.305,483 4.298,484 0.179,485 0.126,487 0.387,493 1.025,494 1.581,495 0.707,496 1.116,497 1.127,498 0.892,499 0.572,500 0.899,501 0.625,502 0.849,503 0.431,504 0.765,505 1.562,506 1.212,507 1.038,508 0.832,509 1.251,510 0.828,511 0.786,512 1.099,513 0.988,514 1.191,515 0.709,516 1.142,517 1.446,518 1.061,519 0.959,520 0.725,521 1.238,522 0.739,523 0.944,524 0.937,525 0.898,526 0.897,527 0.824,528 0.889,529 1.182,530 1.142,531 1.273,532 1.239,533 1.167,534 1.268,535 0.904,536 0.964,537 1.229,538 1.248,539 1.186,540 1.296,541 5,543 2.444,544 2.424,545 1.041,546 0.816,547 0.767,548 0.323,549 0.244,550 0.072,551 5821,552 16427,553 2.135,554 38.5,556 8,558 1,559 3,560 3,564 1.679,565 2,566 2.917,567 1.121,568 1,569 1,571 1,573 60.395,574 1.549,575 3.814,576 4.59,577 4.939,578 4.99,579 4.99,580 2.242,581 4.335,582 4.558,583 3.085,584 851.344,585 7.915,586 9854.67,587 1,588 1,590 1,591 206.131,592 1.406,593 4.518,594 0.185,596 0.063,597 0.066,598 0.029,599 0.022,600 0.02,601 0.01,602 0.012,603 0.008,604 0.414,605 0.33,606 1,607 0.566,608 110.942,609 -0.109,610 -0.37,611 0.056,612 -0.137,613 -0.268,614 -0.029,615 0.472,616 0.223,617 0.249,618 0.092,619 0.405,620 0.119,621 -0.423,622 -0.124,623 -0.133,624 0.054,625 -0.322,626 0.026,627 0.212,628 -0.014,629 -0.105,630 -0.239,631 0.144,632 -0.237,633 -0.303,634 -0.043,635 0.009,636 0.169,637 -0.187,638 0.156,639 0.028,640 0.126,641 0.006,642 0.075,643 0.119,644 0.043,645 -0.253,646 -0.109,647 -0.365,648 -0.257,649 -0.187,650 -0.322,651 -0.069,652 -0.063,653 -0.225,654 -0.21,655 -0.192,656 -0.243,657 1.498,658 1.789,659 0.833,660 17.521,661 1.015,662 1.147,663 3.451,664 11.91,665 0.675,666 3.332,667 3.689,668 3.989,669 4.331,670 4.522,671 4.682,672 4.852,673 5.017,674 5.011,675 5.011,676 5.041,677 0.661,678 321.39,679 3.332,680 4.89,681 5.759,682 6.663,683 7.552,684 8.465,685 9.364,686 10.282,687 11.186,688 12.106,689 23.1,693 1,697 3,699 5,702 1,703 2,704 6,705 5,709 5,710 2,711 21,722 1,724 1,731 39,733 21,734 1,735 27,737 42,738 15,739 13,740 2,741 4,746 4,747 5,752 1,761 13,762 2,777 1,778 1,781 15,782 7,783 3,784 9,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,840 3,844 2,848 24,849 1,855 1,877 12,878 7.733,879 5.139,880 2.122,881 3.962,882 1.539,883 1.038,884 3.487,885 11.315,886 3.651,887 4.344,888 4.992,889 5.669,890 6.167,891 6.58,892 7.085,893 7.592,894 7.87,895 8.235,896 0.8,897 37,898 8.759,900 3.704,901 7.715,902 16.512,904 13.243,905 2.215,906 53.167,910 141.253,911 88.292,912 138.389,917 88.292,918 141.253,919 138.389,920 17.222,922 80.278,923 95.576,924 39.433,925 5.942,926 129.482,928 141.253,929 226.68,933 143.581,937 49.728,938 90.819,939 83.805,941 141.253,942 138.389,943 88.292,946 141.253,947 14.641,948 77.326,949 18.011,950 116.702,951 141.253,952 138.389,953 88.292,955 0.588,956 0.343,957 0.199,958 0.104,959 21,960 9,961 0.071,962 3,963 1,964 1.1,965 3.543,966 209.136,967 0.1,968 20,969 110.039,974 14.754,975 5.672,976 2.657,977 1.686,978 134.713,979 11.313,980 21.47,984 2.497,985 3.532,986 50.908,987 367.934,988 37.5,999 39.567,1000 44.73,1001 0.293,1002 0.722,1003 0.868,1004 0.934,1005 0.944,1006 0.944,1007 4.885,1008 1.405,1009 5.759,1010 4.261,1011 4.369,1012 5.03,1013 0.278,1014 6.605,1015 4.234,1016 6.129,1017 1.205,1018 7.334,1019 3.422,1020 4.007,1021 4.913,1023 7.548,1024 3.781,1025 7.458,1026 1.093,1027 9.008,1028 2.92,1029 5.989,1030 7.333,1031 0.05,1032 10.699,1033 5.706,1034 8.825,1035 0.523,1036 10.742,1037 2.38,1038 6.447,1039 8.061,1041 12.523,1042 6.071,1043 10.225,1044 -0.068,1045 12.516,1046 1.403,1047 7.915,1048 9.938,1049 0.008,1050 15.197,1051 7.482,1052 11.649,1053 -0.347,1054 14.32,1055 -0.184,1056 8.757,1057 11.076,1059 17.399,1060 8.235,1061 13.093,1062 -0.446,1063 16.145,1064 -0.891,1065 10.025,1066 12.73,1067 0.001,1068 19.92,1069 9.442,1070 3.285,1071 -0.634,1072 17.989,1073 -1.138,1074 11.046,1075 14.068,1077 22.279,1078 10.378,1079 2.816,1080 11.78,1081 19.847,1082 -1.489,1083 12.241,1084 15.631,1086 24.755,1087 11.507,1088 2.693,1089 8.706,1090 21.718,1091 4.634,1092 13.342,1093 17.064,1095 27.177,1096 12.527,1097 2.231,1098 8.16,1099 23.598,1100 3.819,1101 14.515,1102 18.596,1104 29.642,1105 13.63,1106 1.91,1107 6.835,1108 25.487,1109 3.798,1110 15.654,1111 20.075,1113 32.089,1114 14.691,1115 1.879,1116 5.766,1117 27.383,1118 3.062,1119 16.823,1120 21.597,1122 34.552,1123 15.787,1124 1.461,1125 4.963,1126 29.285,1127 2.577,1128 17.982,1129 23.1,1131 37.01,1132 16.869,1133 5552,1134 9482,1135 18.205,1136 26.336,1137 41.613,1138 40.839,1139 42.416,1140 41.069,1141 41.002,1142 56.967,1143 0.8,1144 121.194,1145 38.344,1146 5.498,1147 5.38,1148 6.625,1149 5.311,1150 5.285,1151 7.634,1152 0.8,1153 18.987,1154 5.048,1155 10.533,1156 1.541,1157 1.513,1158 1.571,1159 1.521,1160 1.519,1161 2.11,1162 0.03,1163 4.489,1164 1.42,1165 4.138,1166 4.188,1167 4.117,1168 3.994,1169 5.271,1170 4.016,1171 3.901,1172 3.97,1173 3.854,1174 3.695,1175 5.045,1176 3.725,1177 3.783,1178 3.847,1179 3.749,1180 3.565,1181 4.924,1182 3.605,1183 3.383,1184 3.45,1185 3.307,1186 3.197,1187 4.687,1188 3.218,1189 3.166,1190 3.275,1191 2.99,1192 2.915,1193 4.346,1194 2.92,1195 3.07,1196 3.176,1197 2.853,1198 2.854,1199 4.018,1200 2.83,1201 2.947,1202 3.029,1203 2.819,1204 2.782,1205 3.785,1206 2.783,1207 2.779,1208 2.883,1209 2.641,1210 2.489,1211 3.772,1212 2.516,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.122,1218 4.698,1219 0.172,1220 3.38,1221 0.015,1222 6.944,1223 0.436,1224 4.211,1225 0.113,1226 3.285,1227 4.634,1228 0.4,1229 11.78,1230 3.048,1231 1.923,1232 1.893,1233 2.012,1234 2.057,1235 1.119,1236 2.035,1237 1.714,1238 1.651,1239 1.814,1240 1.933,1241 0.839,1242 1.909,1243 1.577,1244 1.512,1245 1.744,1246 1.847,1247 0.788,1248 1.815,1249 1.38,1250 1.295,1251 1.598,1252 1.649,1253 0.613,1254 1.631,1255 1.295,1256 1.229,1257 1.489,1258 1.501,1259 0.524,1260 1.506,1261 1.118,1262 1.02,1263 1.359,1264 1.434,1265 0.227,1266 1.436,1267 0.955,1268 0.896,1269 1.135,1270 1.19,1271 0.143,1272 1.185,1273 0.813,1274 0.729,1275 1.111,1276 1.075,1277 0.13,1278 1.095,1279 4.007,1281 5.352,1282 3.045,1283 6.88,1284 5.416,1285 8.498,1286 7.516,1287 10.166,1289 3.62,1293 5.789,1296 3.259,1305 25.773,1306 60.395,1307 148.747,1308 179.011,1309 192.621,1310 194.621,1311 194.621,1312 24.285,1313 7.354,1314 112.36,1315 112.36,1316 22,1317 12.618,1318 4.459,1319 3.524,1320 33.466,1321 69,1322 64,1323 0.233,1324 159.884,1325 250.26,1326 381.877,1327 14339,1329 16.681,1330 0.695,1331 0.549,1332 16.681,1333 13.172,1334 11.614,1335 0.43,1336 0.271,1337 7.174,1338 11.001,1339 6.985,1340 5.834,1341 11.614,1342 7.327,1343 10.863,1344 0.279,1345 0.135,1346 10.863,1347 5.265,1348 9.016,1349 0.17,1350 0.067,1351 9.016,1352 3.574,1353 8.204,1354 0.109,1355 0.033,1356 8.204,1357 2.511,1358 6.125,1359 0.067,1360 0.017,1361 6.125,1362 1.519,1363 0.347,1364 73.629,1365 0.234,1366 22.735,1367 0.698,1368 132,1369 397.161,1370 150.789,1371 391.25,1372 557.51,1373 368,1374 158,1375 446.054,1376 177.151,1377 447.044,1378 657.24,1379 421,1380 5.721}
{0 CHEMBL1760165,1 1.717,2 9.667,3 2.314,4 5.356,5 95.903,6 8.475,7 0.7,8 3.916,9 4.043,10 3.585,11 3.363,12 5.157,13 3.409,14 4.387,15 4.556,16 3.979,17 3.714,18 5.676,19 3.746,20 4.519,21 4.704,22 3.963,23 3.743,24 5.772,25 3.78,26 4.52,27 4.69,28 3.986,29 3.762,30 5.811,31 3.786,32 4.554,33 4.75,34 3.92,35 3.772,36 5.743,37 3.793,38 4.583,39 4.788,40 3.941,41 3.841,42 5.768,43 3.824,44 4.573,45 4.781,46 3.816,47 3.782,48 5.762,49 3.756,50 4.508,51 4.732,52 3.644,53 3.68,54 5.634,55 3.618,56 0.146,57 0.738,58 7.019,59 2.844,60 10.985,61 3.501,62 0.454,63 1.088,64 13.577,65 5.131,66 27.543,67 6.567,68 0.582,69 1.158,70 17.103,71 4.648,72 44.573,73 6.128,74 0.558,75 1.181,76 15.949,77 5.342,78 42.849,79 6.707,80 0.57,81 1.203,82 17.586,83 4.536,84 40.809,85 5.91,86 0.505,87 1.222,88 18.635,89 6.398,90 39.343,91 8.739,92 0.565,93 1.151,94 18.622,95 5.81,96 41.342,97 7.679,98 0.456,99 1.004,100 18.933,101 6.548,102 38.547,103 9.077,104 19,105 43,106 0.294,107 0.672,108 0.805,109 0.875,110 0.882,111 0.882,112 3.341,113 0.81,114 -3.96,115 -3.92,116 -3.71,119 39.5,120 1,124 1,142 6,146 1,149 1,150 2,152 2,153 1,158 1,162 1,163 1,164 1,165 1,172 4,174 6,175 6,177 2,178 6,180 1,183 2,186 1,187 5,190 1,192 2,195 1,198 5,199 9,201 2,202 4,204 4,209 1,212 6,215 1,216 1,217 2,223 3,224 8,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 2,237 6,240 2,242 2,245 6,247 2,249 1,250 3,252 1,253 1,255 2,258 4,260 2,262 2,263 3,266 2,268 3,271 1,273 1,275 1152,276 18.265,277 18.265,278 18.265,279 18.265,280 18.265,281 15.684,282 23.712,283 10.639,284 18.765,285 14.781,286 14.781,287 14.781,288 14.781,289 14.781,290 10.761,291 33.801,292 5.016,293 15.574,294 3.709,295 1.501,296 0.721,297 0.314,298 0.268,299 0.268,300 4.035,303 1,304 1,305 1,306 565,307 3.082,310 121,311 144.592,314 107.734,318 1.407,319 28.444,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 60,331 261,332 4.698,333 3.557,334 6.943,335 4.21,336 3.283,337 4.634,338 1.058,339 11.777,340 3.05,341 4.246,342 3.374,343 6.079,344 3.872,345 2.874,346 3.856,347 0.4,348 8.823,349 2.866,350 4.123,351 2.808,352 5.853,353 3.618,354 2.697,355 3.798,357 8.162,358 2.483,359 3.707,360 2.686,361 5.513,362 3.331,363 2.364,364 3.101,366 7.237,367 2.277,368 3.542,369 2.315,370 5.247,371 3.109,372 2.162,373 2.852,375 6.463,376 2.042,377 3.24,378 2.087,379 4.914,380 2.797,381 1.879,382 2.532,384 5.422,385 1.724,386 3.232,387 2.028,388 4.618,389 2.762,390 1.826,391 2.481,393 4.963,394 1.7,395 2.929,396 1.591,397 4.526,398 2.409,399 1.454,400 2.126,402 4.258,403 1.387,404 2.856,405 1.463,406 4.004,407 2.372,408 1.388,409 2.011,411 3.201,412 1.361,413 2.632,414 1.35,415 3.623,416 2.192,417 1.219,418 1.633,420 2.92,421 1.18,422 2.174,423 1.09,424 3.44,425 1.694,426 0.702,427 1.016,428 1.671,429 0.696,430 1.996,431 0.724,432 3.269,433 1.467,434 0.523,435 0.763,436 1.407,437 0.493,438 1.468,439 0.554,440 2.885,441 1.16,442 0.167,443 0.201,445 0.232,446 0.163,447 1.191,448 0.059,449 2.597,450 0.828,451 -0.115,452 -0.145,454 -0.325,455 -0.108,456 1,457 -0.126,458 2.382,459 0.572,460 -0.347,461 -0.445,463 -0.891,464 -0.318,465 12.367,466 0.458,467 0.712,468 0.026,469 40.25,470 1.491,471 20.5,472 0.759,473 19.75,474 0.731,475 18.045,476 0.668,477 28.433,478 0.661,479 30.691,480 1.137,481 8.171,482 0.303,483 4.875,484 0.181,485 0.14,487 0.396,493 0.976,494 1.55,495 0.699,496 1.105,497 0.812,498 0.868,499 0.57,500 0.85,501 0.612,502 0.912,503 0.495,504 0.804,505 1.293,506 1.238,507 0.943,508 0.86,509 1.043,510 0.812,511 1.062,512 1.148,513 0.965,514 1.086,515 1.246,516 1.034,517 1.423,518 1.084,519 1.159,520 0.829,521 0.99,522 0.888,523 0.732,524 1,525 0.855,526 1.002,527 0.61,528 0.963,529 1.092,530 0.905,531 1.164,532 0.999,533 0.832,534 1.068,535 0.827,536 1.054,537 0.984,538 1.181,539 0.84,540 1.14,541 6,542 0.143,543 2.667,544 2.576,545 1.336,546 0.976,547 0.603,548 0.445,549 0.366,550 0.199,551 8210,552 25551,553 2.097,554 37.2,556 9,559 4,560 3,564 1.707,565 1.952,566 3.229,567 1.808,568 1,569 1,573 73.843,574 1.717,575 3.926,576 4.705,577 5.112,578 5.159,579 5.159,580 2.654,581 4.282,582 4.724,583 3.398,584 1192.57,585 8.236,586 14972.8,588 1,590 1,591 233.329,592 1.447,593 4.681,594 0.2,595 0.01,596 0.062,597 0.061,598 0.032,599 0.024,600 0.015,601 0.013,602 0.013,603 0.009,604 0.439,605 0.17,606 1,607 0.936,608 131.799,609 -0.183,610 -0.345,611 0.031,612 -0.112,613 -0.189,614 -0.003,615 0.361,616 0.271,617 0.239,618 0.05,619 0.204,620 0.09,621 -0.166,622 -0.183,623 -0.023,624 0.06,625 -0.073,626 0.065,627 0.036,628 -0.067,629 -0.082,630 -0.149,631 -0.069,632 -0.162,633 -0.366,635 -0.25,636 0.06,637 -0.232,638 -0.032,639 0.103,640 0.022,641 0.069,642 -0.004,643 0.088,644 0.018,645 -0.129,646 0.115,647 -0.226,648 -0.036,649 -0.08,650 -0.123,651 0.056,652 -0.143,653 0.017,654 -0.131,655 0.024,656 -0.077,657 1.989,658 4.689,659 0.741,660 22.938,661 1.023,662 1.141,663 2.733,664 7.469,665 0.674,666 3.434,667 3.784,668 4.078,669 4.407,670 4.605,671 4.771,672 4.913,673 5.094,674 5.165,675 5.247,676 5.882,677 0.668,678 364.41,679 3.434,680 4.99,681 5.855,682 6.756,683 7.642,684 8.551,685 9.447,686 10.361,687 11.262,688 12.179,689 18.6,693 1,696 1,697 2,699 4,702 1,703 2,704 6,705 4,707 1,709 6,710 1,711 21,718 1,722 1,724 1,731 43,733 22,734 1,735 30,737 46,738 17,739 14,740 2,741 4,742 1,746 4,747 5,752 1,761 15,762 2,766 1,771 1,775 1,777 1,778 1,780 1,781 16,782 9,783 4,784 10,787 1,790 8,794 0.75,795 2,811 2,812 2,815 1,840 3,844 2,848 27,849 1,855 2,870 4.7,873 1,875 1,877 13.833,878 8.417,879 5.889,880 2.349,881 4.118,882 1.54,883 1.022,884 4.415,885 11.743,886 3.75,887 4.419,888 5.061,889 5.727,890 6.233,891 6.651,892 7.116,893 7.627,894 7.959,895 8.367,896 1,897 42,898 9.886,900 4.215,901 7.889,902 18.322,904 14.585,905 2.389,906 64.5,909 1,910 141.253,911 101.566,912 137.96,914 34.652,917 101.566,918 175.905,919 137.96,920 17.222,921 18.011,922 89.755,923 96.992,924 40.808,925 11.391,926 141.253,928 141.253,929 239.526,930 34.652,933 143.581,934 34.652,937 59.607,938 110.449,939 67.142,941 141.253,942 172.612,943 101.566,946 141.253,947 27.487,948 75.978,949 36.022,950 134.692,951 141.253,952 172.612,953 101.566,955 0.584,956 0.344,957 0.194,958 0.103,959 22,960 10,961 0.087,962 4,963 1,964 1.1,965 3.798,966 241.231,967 0.1,968 20,969 128.382,974 17.305,975 6.889,976 3.313,977 1.512,978 170.713,979 10.735,980 17.157,982 5.52,984 1.877,985 1.711,986 68.919,987 415.431,988 41.5,993 11.689,997 -0.322,999 44.003,1000 49.066,1001 0.316,1002 0.723,1003 0.867,1004 0.942,1005 0.951,1006 0.951,1007 4.985,1008 1.454,1009 5.855,1010 4.963,1011 4.466,1012 5.106,1013 1.27,1014 6.696,1015 4.364,1016 6.224,1017 1.388,1018 7.428,1019 4.258,1020 4.111,1021 4.997,1023 7.63,1024 3.952,1025 7.551,1026 1.219,1027 9.099,1028 3.201,1029 6.084,1030 7.391,1031 1.27,1032 10.766,1033 5.875,1034 8.916,1035 0.702,1036 10.827,1037 2.92,1038 6.538,1039 8.116,1041 12.57,1042 6.271,1043 10.311,1044 0.523,1045 12.594,1046 1.671,1047 7.997,1048 9.978,1049 1.34,1050 15.236,1051 7.679,1052 11.73,1053 0.167,1054 14.389,1055 1.407,1056 8.83,1057 11.109,1059 17.424,1060 8.45,1061 13.169,1062 -0.115,1063 16.207,1064 0.232,1065 10.092,1066 12.756,1067 1.423,1068 19.94,1069 9.658,1070 3.283,1071 -0.347,1072 18.043,1073 -0.325,1074 11.103,1075 14.089,1077 22.292,1078 10.603,1079 2.874,1080 11.777,1081 19.894,1082 -0.891,1083 12.294,1084 15.649,1085 1.51,1086 24.764,1087 11.734,1088 2.697,1089 8.823,1090 21.757,1091 4.634,1092 13.388,1093 17.079,1095 27.182,1096 12.758,1097 2.364,1098 8.162,1099 23.632,1100 3.856,1101 14.557,1102 18.608,1103 1.599,1104 29.645,1105 13.862,1106 2.162,1107 7.237,1108 25.515,1109 3.798,1110 15.691,1111 20.086,1113 32.09,1114 14.923,1115 1.879,1116 6.463,1117 27.406,1118 3.101,1119 16.856,1120 21.606,1121 1.69,1122 34.552,1123 16.018,1124 1.826,1125 5.422,1126 29.305,1127 2.852,1128 18.01,1129 23.107,1131 37.009,1132 17.098,1133 7919,1134 14129,1135 19.997,1136 29,1137 45.718,1138 46.504,1139 47.293,1140 45.199,1141 45.076,1142 62.005,1143 2.917,1144 133.07,1145 42.843,1146 5.495,1147 5.557,1148 6.624,1149 5.31,1150 5.283,1151 7.634,1152 2.117,1153 18.982,1154 5.05,1155 13.571,1156 1.524,1157 1.55,1158 1.576,1159 1.507,1160 1.503,1161 2.067,1162 0.097,1163 4.436,1164 1.428,1165 4.138,1166 4.183,1167 4.117,1168 3.994,1169 7.43,1170 4.017,1171 3.912,1172 3.92,1173 3.878,1174 3.744,1175 5.271,1176 3.773,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 5.079,1182 3.606,1183 3.468,1184 3.544,1185 3.377,1186 3.23,1187 4.957,1188 3.258,1189 3.353,1190 3.422,1191 3.253,1192 3.13,1193 4.687,1194 3.15,1195 3.166,1196 3.274,1197 2.99,1198 2.915,1199 4.338,1200 2.92,1201 2.959,1202 3.04,1203 2.854,1204 2.782,1205 4.174,1206 2.784,1207 2.911,1208 2.966,1209 2.749,1210 2.683,1211 4.017,1212 2.69,1213 0.157,1214 0.119,1215 0.231,1216 0.14,1217 0.109,1218 4.698,1219 0.154,1220 3.557,1221 0.035,1222 6.943,1223 0.393,1224 4.21,1225 0.102,1226 3.283,1227 4.634,1228 1.058,1229 11.777,1230 3.05,1231 1.923,1232 1.893,1233 2.012,1234 2.056,1235 1.118,1236 2.034,1237 1.71,1238 1.648,1239 1.811,1240 1.93,1241 0.801,1242 1.906,1243 1.578,1244 1.548,1245 1.741,1246 1.82,1247 0.764,1248 1.785,1249 1.489,1250 1.445,1251 1.642,1252 1.747,1253 0.675,1254 1.712,1255 1.284,1256 1.212,1257 1.513,1258 1.497,1259 0.567,1260 1.517,1261 1.161,1262 1.089,1263 1.414,1264 1.453,1265 0.329,1266 1.463,1267 1.091,1268 1.008,1269 1.269,1270 1.412,1271 0.21,1272 1.373,1273 0.951,1274 0.894,1275 1.131,1276 1.167,1277 0.143,1278 1.16,1279 4.111,1281 5.451,1282 3.045,1283 6.974,1284 5.416,1285 8.585,1286 7.535,1287 10.245,1289 3.265,1293 5.785,1296 5.57,1305 28.708,1306 73.843,1307 168.8,1308 202.31,1309 219.82,1310 221.82,1311 221.82,1312 36.36,1313 7.625,1314 136.78,1315 136.78,1316 22,1317 12.693,1318 4.524,1319 3.644,1320 39.935,1321 92,1322 111,1323 0.21,1324 177.34,1325 288.8,1326 424.468,1327 20589,1329 18.966,1330 0.702,1331 0.541,1332 18.966,1333 14.594,1334 13.046,1335 0.435,1336 0.27,1337 7.923,1338 12.343,1339 7.742,1340 6.455,1341 13.046,1342 8.099,1343 12.019,1344 0.28,1345 0.132,1346 12.019,1347 5.668,1348 10.038,1349 0.173,1350 0.066,1351 10.038,1352 3.805,1353 8.849,1354 0.109,1355 0.033,1356 8.849,1357 2.661,1358 6.698,1359 0.068,1360 0.016,1361 6.698,1362 1.625,1363 0.321,1364 83.058,1365 0.224,1366 25.455,1367 0.604,1368 146,1369 485.675,1370 168.851,1371 467.732,1372 652.58,1373 438,1374 174,1375 506.909,1376 196.492,1377 505.02,1378 746.15,1379 476,1380 6.284}
{0 CHEMBL1760167,1 1.604,2 8.042,3 1.686,4 2.844,5 90.965,6 7.568,7 0.593,8 3.897,9 4.034,10 3.485,11 3.349,12 4.989,13 3.362,14 4.441,15 4.63,16 3.864,17 3.736,18 5.537,19 3.723,20 4.648,21 4.885,22 3.841,23 3.821,24 5.604,25 3.789,26 4.63,27 4.875,28 3.843,29 3.795,30 5.642,31 3.745,32 4.596,33 4.842,34 3.806,35 3.776,36 5.598,37 3.754,38 4.595,39 4.81,40 3.87,41 3.875,42 5.662,43 3.827,44 4.67,45 4.893,46 3.687,47 3.9,48 5.641,49 3.805,50 4.67,51 4.935,52 3.423,53 3.767,54 5.566,55 3.609,56 0.061,57 0.717,58 8.912,59 3.133,60 7.851,61 4.568,62 0.392,63 1.1,64 17.514,65 5.948,66 29.778,67 8.274,68 0.38,69 1.243,70 23.226,71 5.754,72 30.529,73 9.433,74 0.448,75 1.229,76 22.69,77 6.395,78 32.374,79 10.16,80 0.405,81 1.208,82 22.062,83 4.721,84 32.29,85 8.235,86 0.419,87 1.258,88 20.756,89 6.371,90 31.979,91 9.726,92 0.304,93 1.254,94 22.6,95 7.175,96 32.802,97 10.831,98 0.366,99 1.081,100 24.533,101 8.029,102 39.956,103 12.274,104 5,105 38,106 0.279,107 0.629,108 0.786,109 0.827,110 0.835,111 0.835,112 3.23,113 0.89,114 -4.34,115 -4.27,116 -4.03,119 37.2,120 1,121 2,125 2,127 1,142 4,146 1,149 1,150 2,152 1,162 1,163 1,164 1,165 1,172 3,174 6,175 6,177 2,178 4,180 2,183 3,187 4,195 1,198 3,199 10,201 2,202 5,204 3,209 1,212 4,217 2,223 3,224 8,226 1,227 2,228 1,229 2,231 1,232 5,234 1,237 2,242 2,245 6,247 2,249 2,250 5,255 3,258 3,260 3,263 2,275 848,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 14.552,282 23.668,283 9.861,284 17.044,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.534,291 37.507,292 4.767,293 14.4,294 3.822,295 1.809,296 0.901,297 0.669,298 0.622,299 0.622,300 3.93,303 1,304 1,305 1,306 423,307 2.236,310 45.348,311 188.024,314 89.208,318 1.132,319 20.483,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 193,332 4.696,333 3.375,334 6.943,335 4.209,336 3.282,337 4.632,338 0.86,339 11.776,340 3.047,341 4.124,342 2.812,343 5.854,344 3.619,345 2.7,346 3.798,347 0.4,348 8.163,349 2.483,350 3.701,351 2.718,352 5.552,353 3.501,354 2.541,355 3.09,357 7.472,358 2.434,359 3.484,360 2.342,361 5.281,362 3.142,363 2.201,364 2.659,366 6.58,367 2.064,368 3.232,369 2.193,370 4.928,371 2.798,372 1.879,373 2.481,375 5.492,376 1.726,377 3.201,378 2.08,379 4.618,380 2.783,381 1.868,382 2.379,384 4.963,385 1.707,386 2.927,387 1.806,388 4.526,389 2.414,390 1.474,391 2.122,393 4.258,394 1.385,395 2.84,396 1.468,397 3.664,398 2.378,399 1.43,400 1.982,402 3.094,403 1.36,404 2.424,405 1.37,406 3.582,407 2.221,408 1.308,409 1.422,411 2.898,412 1.172,413 2,414 1.2,415 3.412,416 1.969,417 1,418 1,420 2.136,421 0.963,422 1.995,423 0.564,424 3.247,425 1.469,426 0.526,427 0.763,428 1.417,429 0.495,430 1.181,431 0.205,432 2.859,433 0.92,438 1,439 -0.126,440 2.584,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.884,448 -0.259,449 2.382,450 0.474,451 -0.444,452 -0.556,454 -1.139,455 -0.407,456 0.657,457 -0.441,458 2.266,459 0.29,460 -0.654,461 -0.745,463 -1.558,464 -0.614,465 11.133,466 0.464,467 0.554,468 0.023,469 32.5,470 1.354,471 15,472 0.625,473 17.5,474 0.729,475 18.437,476 0.768,477 26.067,478 0.606,479 22.169,480 0.924,481 6.2,482 0.258,483 5.504,484 0.229,485 0.081,487 0.35,493 1.01,494 1.605,495 0.773,496 1.199,497 1.054,498 0.976,499 0.875,500 0.941,501 0.815,502 1.004,503 0.617,504 0.94,505 1.347,506 1.188,507 0.994,508 0.883,509 1.085,510 0.872,511 0.702,512 1.057,513 0.865,514 0.99,515 0.573,516 0.958,517 1.412,518 1.023,519 1.052,520 0.701,521 1.311,522 0.766,523 0.786,524 1.004,525 0.999,526 1.004,527 0.837,528 1.023,529 1.089,530 1.12,531 1.312,532 1.277,533 1.305,534 1.314,535 0.714,536 1.026,537 1.145,538 1.293,539 1.027,540 1.297,541 4.5,542 0.025,543 1.778,544 2.167,545 1.077,546 0.823,547 0.612,548 0.261,549 0.201,550 0.067,551 5960,552 15369,553 2.161,554 44.2,556 9,559 3,560 3,562 4,564 1.678,565 2.057,566 3.005,567 1.08,568 1,569 1,571 1,573 68.967,574 1.604,575 3.618,576 4.525,577 4.758,578 4.804,579 4.804,580 2.428,581 4.168,582 4.556,583 3.146,584 868.324,585 7.91,586 9998.23,588 1,590 1,591 233.329,592 1.281,593 4.532,594 0.167,595 0.008,596 0.047,597 0.059,598 0.03,599 0.023,600 0.016,601 0.009,602 0.01,603 0.007,604 0.374,605 0.33,606 1,607 0.49,608 111.28,609 -0.116,610 -0.341,611 0.062,612 -0.12,613 -0.146,614 -0.011,615 0.268,616 0.184,617 0.111,618 0.006,619 0.303,620 0.007,621 -0.262,622 -0.157,623 -0.02,624 0.057,625 -0.163,626 0.062,627 0.21,628 -0.022,629 0.098,630 -0.041,631 0.272,632 -0.006,633 -0.36,634 0.056,635 -0.077,636 0.185,637 -0.275,638 0.128,639 0.088,640 0.117,641 -0.085,642 -0.012,643 0.092,644 -0.069,645 -0.259,646 -0.05,647 -0.401,648 -0.259,649 -0.347,650 -0.333,651 0.069,652 -0.116,653 -0.181,654 -0.26,655 -0.072,656 -0.261,657 1.465,658 1.926,659 0.875,660 18.056,661 1.008,662 1.144,663 3.107,664 9.651,665 0.653,666 3.332,667 3.664,668 3.951,669 4.304,670 4.543,671 4.663,672 4.812,673 4.977,674 4.97,675 4.997,676 5.136,677 0.628,678 325.42,679 3.332,680 4.875,681 5.733,682 6.629,683 7.51,684 8.419,685 9.312,686 10.226,687 11.126,688 12.044,689 16.3,693 1,694 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,722 1,724 1,731 43,733 16,734 1,735 27,737 46,738 16,739 10,740 2,741 4,746 4,747 5,752 1,755 3,758 3,761 10,762 6,777 1,778 1,781 19,782 7,783 3,784 8,787 1,790 7,794 0.75,795 1,811 1,812 3,815 1,839 1,840 3,844 1,848 24,849 1,854 4,855 1,856 1,858 1,870 2.3,874 1,877 11.667,878 7.917,879 5.194,880 2.592,881 3.232,882 1.439,883 1.009,884 4.044,885 10.587,886 3.584,887 4.216,888 4.843,889 5.529,890 6.091,891 6.482,892 6.936,893 7.401,894 7.597,895 7.913,896 1,897 37,898 8.834,900 3.759,901 7.639,902 16.999,904 14.009,905 2.139,906 51.333,910 188.338,911 73.297,912 119.949,914 11,917 73.297,918 199.338,919 119.949,920 8.825,921 14.254,922 70.802,923 96.153,924 8.27,925 5.942,926 188.338,928 188.338,929 193.247,930 11,933 143.581,934 47.084,935 11,937 32.82,938 72.946,939 85.153,941 188.338,942 130.949,943 73.297,946 188.338,947 26.567,948 48.629,949 18.011,950 111.039,951 188.338,952 130.949,953 73.297,955 0.578,956 0.332,957 0.198,958 0.112,959 20,960 8,961 0.065,962 3,963 1,964 1.095,965 3.59,966 206.855,967 0.095,968 21,969 106.039,974 15.303,975 6.342,976 3.083,977 1.806,978 129.05,979 7.895,980 17.497,984 1.968,985 1.899,986 50.908,987 392.584,988 35,999 43.342,1000 49.189,1001 0.296,1002 0.667,1003 0.834,1004 0.877,1005 0.885,1006 0.885,1007 4.82,1008 1.43,1009 5.714,1010 4.258,1011 4.344,1012 4.902,1013 1.029,1014 6.538,1015 4.205,1016 6.026,1017 1.308,1018 7.268,1019 3.094,1020 3.892,1021 4.745,1023 7.438,1024 3.678,1025 7.337,1026 1,1027 8.924,1028 2.898,1029 5.932,1030 7.155,1031 0.763,1032 10.605,1033 5.653,1034 8.686,1035 0.526,1036 10.643,1037 2.136,1038 6.312,1039 7.872,1041 12.422,1042 5.949,1043 10.073,1045 12.407,1046 1.417,1047 7.827,1048 9.761,1049 0.597,1050 15.111,1051 7.403,1052 11.488,1053 -0.347,1054 14.203,1056 8.623,1057 10.909,1059 17.324,1060 8.113,1061 12.927,1062 -0.444,1063 16.025,1064 -0.891,1065 9.92,1066 12.579,1067 0.47,1068 19.858,1069 9.347,1070 3.282,1071 -0.654,1072 17.869,1073 -1.139,1074 10.922,1075 13.934,1077 22.229,1078 10.263,1079 2.7,1080 11.776,1081 19.729,1082 -1.558,1083 12.134,1084 15.514,1085 0.367,1086 24.714,1087 11.408,1088 2.541,1089 8.163,1090 21.603,1091 4.632,1092 13.232,1093 16.963,1095 27.145,1096 12.423,1097 2.201,1098 7.472,1099 23.488,1100 3.798,1101 14.416,1102 18.508,1103 0.283,1104 29.616,1105 13.536,1106 1.879,1107 6.58,1108 25.383,1109 3.09,1110 15.559,1111 20,1113 32.068,1114 14.599,1115 1.868,1116 5.492,1117 27.286,1118 2.659,1119 16.737,1120 21.532,1121 0.217,1122 34.535,1123 15.704,1124 1.474,1125 4.963,1126 29.196,1127 2.481,1128 17.9,1129 23.044,1131 36.996,1132 16.79,1133 5652,1134 9214,1135 18.493,1136 28.063,1137 40.73,1138 40.714,1139 41.376,1140 40.473,1141 40.419,1142 52.659,1143 2.52,1144 116.497,1145 37.673,1146 5.696,1147 5.375,1148 6.745,1149 5.309,1150 5.282,1151 7.632,1152 1.72,1153 18.981,1154 5.047,1155 8.591,1156 1.509,1157 1.508,1158 1.532,1159 1.499,1160 1.497,1161 1.95,1162 0.093,1163 4.315,1164 1.395,1165 4.134,1166 4.182,1167 4.112,1168 3.993,1169 5.269,1170 4.015,1171 3.804,1172 3.854,1173 3.749,1174 3.645,1175 5.018,1176 3.646,1177 3.782,1178 3.847,1179 3.677,1180 3.563,1181 4.688,1182 3.602,1183 3.392,1184 3.456,1185 3.31,1186 3.201,1187 4.616,1188 3.222,1189 3.167,1190 3.275,1191 2.991,1192 2.941,1193 4.36,1194 2.922,1195 3.111,1196 3.206,1197 2.886,1198 2.916,1199 4.023,1200 2.91,1201 3.011,1202 3.09,1203 2.866,1204 2.783,1205 3.897,1206 2.786,1207 2.927,1208 2.996,1209 2.811,1210 2.702,1211 3.738,1212 2.723,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.122,1218 4.696,1219 0.172,1220 3.375,1221 0.032,1222 6.943,1223 0.436,1224 4.209,1225 0.113,1226 3.282,1227 4.632,1228 0.86,1229 11.776,1230 3.047,1231 1.923,1232 1.893,1233 2.014,1234 2.061,1235 1.346,1236 2.039,1237 1.793,1238 1.74,1239 1.999,1240 1.988,1241 1.118,1242 1.993,1243 1.695,1244 1.633,1245 1.807,1246 1.918,1247 0.825,1248 1.895,1249 1.35,1250 1.281,1251 1.517,1252 1.624,1253 0.796,1254 1.59,1255 1.153,1256 1.064,1257 1.513,1258 1.44,1259 0.597,1260 1.451,1261 1.126,1262 1.029,1263 1.388,1264 1.376,1265 0.423,1266 1.429,1267 0.963,1268 0.9,1269 1.216,1270 1.253,1271 0.217,1272 1.243,1273 0.899,1274 0.831,1275 1.131,1276 1.138,1277 0.143,1278 1.141,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.471,1286 7.05,1287 10.136,1289 1.798,1293 5.811,1295 3.411,1296 3.507,1297 5.426,1299 0.314,1305 27.025,1306 68.967,1307 155.555,1308 194.574,1309 204.574,1310 206.574,1311 206.574,1312 27.913,1313 7.354,1314 103.77,1315 103.77,1316 23,1317 12.558,1318 4.087,1319 3.17,1320 33.489,1321 70,1322 79,1323 0.228,1324 165.739,1325 270.53,1326 396.163,1327 14575,1329 16.518,1330 0.688,1331 0.56,1332 16.518,1333 13.437,1334 11.704,1335 0.433,1336 0.297,1337 7.859,1338 11.119,1339 7.714,1340 6.36,1341 11.704,1342 8.008,1343 10.699,1344 0.282,1345 0.153,1346 10.699,1347 5.831,1348 8.732,1349 0.171,1350 0.08,1351 8.732,1352 4.068,1353 8.094,1354 0.111,1355 0.04,1356 8.094,1357 2.938,1358 6.44,1359 0.069,1360 0.021,1361 6.44,1362 1.965,1363 0.342,1364 74.051,1365 0.233,1366 22.849,1367 0.679,1368 130,1369 377.606,1370 147.81,1371 363.859,1372 513.08,1373 344,1374 154,1375 396.946,1376 171.34,1377 396.704,1378 588.1,1379 375,1380 5.796}
{0 CHEMBL1760168,1 1.549,2 7.875,3 3.125,4 9.766,5 90.276,6 8.241,7 0.778,8 3.821,9 3.966,10 3.481,11 3.269,12 5.008,13 3.304,14 4.294,15 4.489,16 3.849,17 3.623,18 5.488,19 3.64,20 4.396,21 4.617,22 3.796,23 3.636,24 5.487,25 3.649,26 4.381,27 4.588,28 3.841,29 3.652,30 5.542,31 3.662,32 4.42,33 4.627,34 3.848,35 3.696,36 5.543,37 3.712,38 4.498,39 4.709,40 3.86,41 3.788,42 5.633,43 3.766,44 4.552,45 4.794,46 3.687,47 3.757,48 5.594,49 3.69,50 4.449,51 4.71,52 3.335,53 3.579,54 5.423,55 3.458,56 0.103,57 0.707,58 6.815,59 2.421,60 6.706,61 3.338,62 0.364,63 1.04,64 12.983,65 4.307,66 21.506,67 6.009,68 0.314,69 1.076,70 15.635,71 3.846,72 22.83,73 5.926,74 0.403,75 1.09,76 14.555,77 4.18,78 24.614,79 5.986,80 0.348,81 1.136,82 15.204,83 3.757,84 20.863,85 5.579,86 0.386,87 1.198,88 16.672,89 5.211,90 26.796,91 7.419,92 0.361,93 1.143,94 19.393,95 5.919,96 29.512,97 8.788,98 0.345,99 0.94,100 18.337,101 5.679,102 29.907,103 8.478,104 6,105 38,106 0.271,107 0.667,108 0.812,109 0.873,110 0.882,111 0.882,112 3.23,113 0.822,114 -5.09,115 -4.98,116 -4.67,119 38.5,120 1,124 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,162 1,168 1,172 3,174 6,175 5,178 5,180 2,183 2,187 4,191 1,195 1,198 5,199 8,202 4,204 3,212 4,215 2,217 2,223 3,224 8,227 2,228 1,229 2,232 3,237 4,240 2,242 4,245 4,249 1,250 3,253 1,255 4,258 2,266 1,267 1,268 1,275 854,276 16.61,277 16.61,278 16.61,279 16.61,280 16.61,281 14.146,282 22.517,283 9.867,284 17.178,285 13.336,286 13.336,287 13.336,288 13.336,289 13.336,290 9.596,291 38.109,292 4.671,293 14.275,294 3.737,295 1.471,296 0.644,297 0.295,298 0.244,299 0.244,300 3.928,303 1,304 1,305 1,306 413,307 2.449,310 99.862,311 124.438,314 89.585,318 1.146,319 16.6,320 1,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 52.5,331 189,332 4.698,333 3.377,334 6.943,335 4.209,336 3.283,337 4.634,338 0.4,339 11.778,340 3.047,341 4.142,342 2.843,343 5.871,344 3.645,345 2.728,346 3.812,347 0.4,348 8.273,349 2.503,350 3.941,351 2.674,352 5.583,353 3.503,354 2.558,355 3.498,357 7.525,358 2.412,359 3.623,360 2.331,361 5.354,362 3.163,363 2.225,364 3.056,366 6.802,367 2.081,368 3.301,369 2.205,370 4.966,371 2.89,372 1.972,373 2.578,375 5.603,376 1.807,377 3.258,378 1.974,379 4.77,380 2.789,381 1.864,382 2.535,384 5.282,385 1.722,386 2.935,387 1.481,388 4.533,389 2.413,390 1.461,391 2.136,393 4.281,394 1.389,395 2.859,396 1.409,397 3.643,398 2.369,399 1.387,400 2.023,402 2.994,403 1.36,404 2.557,405 1.175,406 3.516,407 2.056,408 1.12,409 1.581,411 2.52,412 1.046,413 2.118,414 0.723,415 3.328,416 1.604,417 0.618,418 0.927,420 1.406,421 0.609,422 1.997,423 0.618,424 3,425 1.475,426 0.534,427 0.766,428 1.372,429 0.502,430 1.584,431 0.539,432 2.82,433 1.329,434 0.426,435 0.482,436 0.638,437 0.385,438 1.175,439 0.016,440 2.77,441 0.799,442 -0.124,443 -0.157,445 -0.353,446 -0.115,447 0.932,448 -0.131,449 2.534,450 0.535,451 -0.401,452 -0.505,454 -1.006,455 -0.374,456 0.75,457 -0.51,458 2.25,459 0.296,460 -0.622,461 -0.821,463 -1.65,464 -0.568,465 11.1,466 0.463,467 0.516,468 0.022,469 36.75,470 1.531,471 19,472 0.792,473 17.75,474 0.74,475 15.266,476 0.636,477 24.9,478 0.638,479 25.299,480 1.054,481 7.392,482 0.308,483 4.349,484 0.181,485 0.09,487 0.351,493 1.025,494 1.581,495 0.707,496 1.116,497 0.937,498 0.892,499 0.598,500 0.882,501 0.687,502 0.878,503 0.604,504 0.814,505 1.374,506 1.273,507 0.923,508 0.885,509 1.285,510 0.823,511 0.983,512 0.97,513 0.925,514 0.92,515 0.902,516 0.912,517 1.482,518 1.194,519 1.038,520 0.87,521 1.232,522 0.863,523 1.01,524 0.988,525 1.019,526 1.003,527 0.922,528 1.011,529 1.04,530 1.044,531 1.111,532 1.108,533 1.079,534 1.122,535 1.002,536 0.975,537 1.297,538 1.257,539 1.168,540 1.324,541 4.5,542 0.02,543 1.778,544 2.201,545 1.081,546 0.879,547 0.548,548 0.32,549 0.155,550 0.072,551 5879,552 16441,553 2.161,554 38.5,556 8,557 1,559 3,560 3,564 1.679,565 2.057,566 2.986,567 1.121,568 1,569 1,571 1,573 60.395,574 1.549,575 3.814,576 4.641,577 4.99,578 5.042,579 5.042,580 2.413,581 4.252,582 4.556,583 3.123,584 861.892,585 7.914,586 9932.2,587 1,588 1,589 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.01,596 0.047,597 0.061,598 0.029,599 0.023,600 0.014,601 0.01,602 0.008,603 0.008,604 0.377,605 0.17,606 1,607 0.681,608 111.103,609 -0.109,610 -0.37,611 0.056,612 -0.137,613 -0.162,614 -0.029,615 0.445,616 0.24,617 0.186,618 0.062,619 0.332,620 0.069,621 -0.284,622 -0.225,623 0.008,624 0.028,625 -0.244,626 0.07,627 0.132,628 0.133,629 -0.031,630 -0.019,631 0.111,632 -0.052,633 -0.36,634 -0.093,635 -0.147,636 0.024,637 -0.239,638 -0.011,639 -0.028,640 0.081,641 -0.123,642 -0.04,643 0.046,644 -0.091,645 -0.135,646 -0.078,647 -0.147,648 -0.106,649 -0.094,650 -0.125,651 -0.126,652 -0.067,653 -0.293,654 -0.24,655 -0.215,656 -0.291,657 1.182,658 1.626,659 0.833,660 18.132,661 1.015,662 1.147,663 3.857,664 14.877,665 0.675,666 3.332,667 3.664,668 3.97,669 4.317,670 4.522,671 4.682,672 4.86,673 4.997,674 5.004,675 4.997,676 5.087,677 0.661,678 321.39,679 3.332,680 4.875,681 5.74,682 6.637,683 7.525,684 8.434,685 9.332,686 10.246,687 11.151,688 12.069,689 23.1,694 1,697 3,699 5,702 1,703 2,704 6,705 5,706 1,709 5,710 1,711 21,724 2,731 39,733 21,734 1,735 27,737 42,738 15,739 13,740 2,741 4,746 4,747 5,752 1,761 13,762 2,777 1,778 1,781 15,782 7,783 3,784 9,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,840 3,844 2,848 24,855 2,877 11.667,878 7.7,879 5.278,880 2.178,881 3.913,882 1.533,883 1.038,884 3.688,885 11.25,886 3.651,887 4.317,888 4.972,889 5.656,890 6.16,891 6.584,892 7.094,893 7.581,894 7.87,895 8.226,896 1,897 36,898 8.761,900 3.675,901 7.674,902 16.57,904 13.188,905 2.174,906 52.167,910 141.253,911 88.292,912 138.389,917 88.292,918 141.253,919 138.389,920 17.222,922 56.429,923 101.816,924 42.944,925 20.041,926 129.482,928 141.253,929 226.68,933 143.581,937 53.239,938 69.297,939 101.816,941 141.253,942 138.389,943 88.292,946 141.253,947 14.641,948 75.549,949 52.685,950 83.805,951 141.253,952 138.389,953 88.292,955 0.575,956 0.34,957 0.201,958 0.108,959 20,960 8,961 0.095,962 4,963 1,964 1.1,965 3.582,966 207.536,967 0.1,968 20,969 110.039,974 14.754,975 5.999,976 2.766,977 1.725,978 119.827,979 11.356,980 21.895,981 2.77,984 2.842,985 1.847,986 52.685,987 367.934,988 37.5,999 39.567,1000 44.73,1001 0.293,1002 0.722,1003 0.878,1004 0.944,1005 0.954,1006 0.954,1007 4.869,1008 1.387,1009 5.72,1010 4.281,1011 4.344,1012 5.004,1013 0.495,1014 6.553,1015 4.208,1016 6.096,1017 1.12,1018 7.28,1019 2.994,1020 3.892,1021 4.808,1023 7.469,1024 3.664,1025 7.413,1026 0.618,1027 8.941,1028 2.52,1029 5.943,1030 7.288,1031 0.097,1032 10.628,1033 5.658,1034 8.771,1035 0.534,1036 10.664,1037 1.406,1038 6.347,1039 7.974,1041 12.448,1042 5.966,1043 10.163,1044 0.426,1045 12.43,1046 1.372,1047 7.843,1048 9.876,1049 0.016,1050 15.129,1051 7.406,1052 11.581,1053 -0.124,1054 14.227,1055 0.638,1056 8.658,1057 10.995,1059 17.34,1060 8.128,1061 13.019,1062 -0.401,1063 16.049,1064 -0.353,1065 9.939,1066 12.663,1067 0.003,1068 19.869,1069 9.348,1070 3.283,1071 -0.622,1072 17.891,1073 -1.006,1074 10.95,1075 13.997,1077 22.238,1078 10.272,1079 2.728,1080 11.778,1081 19.75,1082 -1.65,1083 12.153,1084 15.57,1086 24.721,1087 11.409,1088 2.558,1089 8.273,1090 21.622,1091 4.634,1092 13.254,1093 17.006,1095 27.151,1096 12.428,1097 2.225,1098 7.525,1099 23.505,1100 3.812,1101 14.434,1102 18.545,1104 29.62,1105 13.537,1106 1.972,1107 6.802,1108 25.398,1109 3.498,1110 15.577,1111 20.029,1113 32.072,1114 14.602,1115 1.864,1116 5.603,1117 27.299,1118 3.056,1119 16.752,1120 21.557,1122 34.539,1123 15.705,1124 1.461,1125 5.282,1126 29.207,1127 2.578,1128 17.916,1129 23.064,1131 36.999,1132 16.792,1133 5598,1134 9521,1135 18.493,1136 26.336,1137 40.693,1138 40.316,1139 41.097,1140 40.404,1141 40.352,1142 56.055,1143 1.6,1144 116.947,1145 37.725,1146 5.494,1147 5.377,1148 6.624,1149 5.309,1150 5.283,1151 7.634,1152 0.8,1153 18.986,1154 5.047,1155 8.689,1156 1.507,1157 1.493,1158 1.522,1159 1.496,1160 1.495,1161 2.076,1162 0.059,1163 4.331,1164 1.397,1165 4.136,1166 4.185,1167 4.115,1168 3.993,1169 5.157,1170 4.015,1171 3.863,1172 3.935,1173 3.81,1174 3.657,1175 5.024,1176 3.685,1177 3.795,1178 3.86,1179 3.76,1180 3.575,1181 4.915,1182 3.616,1183 3.398,1184 3.475,1185 3.315,1186 3.202,1187 4.355,1188 3.224,1189 3.323,1190 3.42,1191 3.143,1192 3.074,1193 4.256,1194 3.074,1195 3.033,1196 3.132,1197 2.889,1198 2.824,1199 4.014,1200 2.826,1201 2.88,1202 2.954,1203 2.718,1204 2.713,1205 3.773,1206 2.703,1207 2.782,1208 2.884,1209 2.656,1210 2.522,1211 3.726,1212 2.545,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.122,1218 4.698,1219 0.172,1220 3.377,1221 0.015,1222 6.943,1223 0.436,1224 4.209,1225 0.113,1226 3.283,1227 4.634,1228 0.4,1229 11.778,1230 3.047,1231 1.923,1232 1.893,1233 2.012,1234 2.059,1235 1.119,1236 2.036,1237 1.72,1238 1.657,1239 1.827,1240 1.936,1241 0.818,1242 1.915,1243 1.524,1244 1.469,1245 1.666,1246 1.755,1247 0.707,1248 1.72,1249 1.368,1250 1.287,1251 1.652,1252 1.687,1253 0.676,1254 1.654,1255 1.305,1256 1.201,1257 1.522,1258 1.598,1259 0.545,1260 1.618,1261 1.179,1262 1.091,1263 1.35,1264 1.447,1265 0.272,1266 1.435,1267 0.994,1268 0.926,1269 1.198,1270 1.242,1271 0.199,1272 1.242,1273 0.881,1274 0.804,1275 1.071,1276 1.09,1277 0.129,1278 1.093,1279 4.007,1281 5.333,1282 3.045,1283 6.849,1284 5.352,1285 8.459,1286 7.424,1287 10.124,1289 3.597,1296 6.136,1305 25.773,1306 60.395,1307 148.747,1308 181.011,1309 194.621,1310 196.621,1311 196.621,1312 23.147,1313 7.336,1314 109.23,1315 109.23,1316 22,1317 12.581,1318 4.459,1319 3.524,1320 33.461,1321 69,1322 74,1323 0.231,1324 159.884,1325 250.26,1326 381.877,1327 13996,1329 16.518,1330 0.688,1331 0.548,1332 16.518,1333 13.147,1334 11.742,1335 0.435,1336 0.274,1337 7.239,1338 11.123,1339 7.065,1340 5.913,1341 11.742,1342 7.395,1343 10.514,1344 0.277,1345 0.134,1346 10.514,1347 5.1,1348 8.922,1349 0.172,1350 0.067,1351 8.922,1352 3.46,1353 8.044,1354 0.109,1355 0.033,1356 8.044,1357 2.436,1358 6.224,1359 0.068,1360 0.017,1361 6.224,1362 1.536,1363 0.345,1364 74.502,1365 0.233,1366 22.796,1367 0.691,1368 130,1369 394.869,1370 148.456,1371 387.863,1372 553.27,1373 366,1374 155,1375 440.325,1376 173.79,1377 440.898,1378 649.33,1379 416,1380 5.658}
{0 CHEMBL1760169,1 1.559,2 9.308,3 3.069,4 9.419,5 95.49,6 8.66,7 0.724,8 3.847,9 3.986,10 3.543,11 3.316,12 5.101,13 3.357,14 4.312,15 4.495,16 3.898,17 3.662,18 5.546,19 3.683,20 4.44,21 4.659,22 3.851,23 3.68,24 5.597,25 3.697,26 4.411,27 4.611,28 3.911,29 3.694,30 5.63,31 3.714,32 4.453,33 4.655,34 3.941,35 3.745,36 5.68,37 3.774,38 4.526,39 4.726,40 3.967,41 3.846,42 5.726,43 3.841,44 4.595,45 4.822,46 3.826,47 3.833,48 5.755,49 3.785,50 4.515,51 4.765,52 3.546,53 3.684,54 5.615,55 3.596,56 0.123,57 0.739,58 6.019,59 2.443,60 9.958,61 3.017,62 0.359,63 1.087,64 11.532,65 4.323,66 20.835,67 5.625,68 0.385,69 1.138,70 15.255,71 4.054,72 36.455,73 5.562,74 0.415,75 1.15,76 13.568,77 4.266,78 28.425,79 5.63,80 0.415,81 1.207,82 14.304,83 3.874,84 32.349,85 5.028,86 0.399,87 1.281,88 15.394,89 5.294,90 28.451,91 6.971,92 0.427,93 1.253,94 18.289,95 6.089,96 37.838,97 8.324,98 0.4,99 1.068,100 18.357,101 5.921,102 42.373,103 8.325,104 8,105 40,106 0.269,107 0.688,108 0.822,109 0.881,110 0.889,111 0.889,112 3.305,113 0.81,114 -4.53,115 -4.46,116 -4.2,119 40,120 1,125 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,158 1,162 1,168 1,172 3,174 6,175 5,178 5,180 2,183 2,187 4,190 1,191 1,195 1,198 5,199 8,202 4,204 3,211 2,212 4,215 2,217 2,223 3,224 8,227 2,228 1,229 2,232 3,236 2,237 5,240 2,242 4,245 4,249 1,250 3,253 1,255 4,258 2,262 1,263 1,266 2,267 1,268 1,275 1096,276 18.024,277 18.024,278 18.024,279 18.024,280 18.024,281 15.353,282 22.987,283 10.997,284 18.595,285 14.374,286 14.374,287 14.374,288 14.374,289 14.374,290 10.303,291 37.538,292 5.261,293 15.361,294 3.763,295 1.337,296 0.559,297 0.219,298 0.169,299 0.169,300 4.004,303 1,304 1,305 1,306 527,307 2.828,310 110.503,311 140.467,314 100.107,318 1.355,319 21.616,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 57,331 242,332 4.698,333 4.043,334 6.943,335 4.209,336 3.283,337 4.634,338 2.436,339 11.778,340 3.047,341 4.145,342 3.377,343 5.873,344 3.651,345 2.734,346 3.813,347 0.4,348 8.294,349 2.508,350 3.941,351 2.852,352 5.587,353 3.503,354 2.558,355 3.498,356 0.379,357 7.533,358 2.412,359 3.633,360 2.675,361 5.362,362 3.173,363 2.236,364 3.058,366 6.852,367 2.089,368 3.5,369 2.356,370 4.974,371 2.935,372 2.012,373 2.593,375 5.655,376 1.853,377 3.285,378 2.247,379 4.788,380 2.789,381 1.864,382 2.546,384 5.335,385 1.722,386 3.257,387 1.977,388 4.533,389 2.428,390 1.476,391 2.145,393 4.288,394 1.403,395 2.936,396 1.632,397 3.644,398 2.372,399 1.392,400 2.023,402 2.995,403 1.363,404 2.859,405 1.465,406 3.519,407 2.307,408 1.36,409 1.976,411 2.587,412 1.284,413 2.557,414 1.405,415 3.425,416 2.056,417 1.12,418 1.581,420 2.514,421 1.045,422 2.118,423 1.174,424 3.326,425 1.604,426 0.618,427 0.927,428 1.402,429 0.609,430 2.001,431 0.618,432 3,433 1.468,434 0.525,435 0.764,436 1.372,437 0.494,438 1.909,439 0.555,440 2.776,441 1.177,442 0.274,443 0.398,445 0.447,446 0.247,447 1.176,448 0.218,449 2.617,450 0.799,451 -0.124,452 -0.157,454 -0.353,455 -0.115,456 0.963,457 0.016,458 2.525,459 0.539,460 -0.396,461 -0.504,463 -0.99,464 -0.369,465 12,466 0.462,467 0.516,468 0.02,469 41,470 1.577,471 22,472 0.846,473 19,474 0.731,475 16.278,476 0.626,477 26.4,478 0.66,479 28.803,480 1.108,481 8.145,482 0.313,483 4.596,484 0.177,485 0.075,487 0.325,493 1.009,494 1.515,495 0.674,496 1.076,497 0.625,498 0.852,499 0.583,500 0.951,501 0.719,502 0.98,503 0.482,504 0.899,505 1.367,506 1.182,507 0.985,508 0.88,509 1.109,510 0.852,511 0.957,512 1.012,513 0.902,514 0.947,515 0.718,516 0.919,517 1.399,518 1.083,519 1.001,520 0.801,521 0.769,522 0.809,523 0.963,524 1.032,525 0.954,526 1.006,527 0.658,528 0.983,529 1.001,530 1.015,531 1.135,532 1.134,533 0.835,534 1.159,535 1.029,536 0.978,537 1.258,538 1.201,539 1.215,540 1.266,541 4.5,542 0.041,543 1.778,544 2.201,545 1.081,546 0.962,547 0.649,548 0.348,549 0.186,550 0.106,551 7393,552 23115,553 2.148,554 35,556 7,557 1,559 3,560 3,564 1.699,565 2.053,566 3.167,567 1.088,568 1,569 1,571 1,573 62.355,574 1.559,575 3.985,576 4.763,577 5.103,578 5.153,579 5.153,580 2.656,581 4.21,582 4.667,583 3.311,584 1076.09,585 8.138,586 13134.3,587 1,588 1,589 1,590 1,591 212.877,592 1.239,593 4.65,594 0.155,595 0.005,596 0.044,597 0.058,598 0.027,599 0.023,600 0.015,601 0.01,602 0.007,603 0.007,604 0.351,605 0.17,606 1,607 1.008,608 124.754,609 -0.136,610 -0.34,611 0.043,612 -0.123,613 -0.038,614 -0.023,615 0.402,616 0.151,617 0.117,618 -0.045,619 0.115,620 -0.031,621 -0.294,622 -0.16,623 -0.049,624 0.031,625 -0.23,626 0.043,627 0.109,628 0.061,629 -0.021,630 -0.045,631 0.031,632 -0.059,633 -0.299,635 -0.127,636 0.08,637 -0.026,638 0.028,639 -0.019,640 0.019,641 -0.074,642 -0.041,643 0.045,644 -0.065,645 -0.088,646 -0.044,647 -0.173,648 -0.133,649 -0.02,650 -0.164,651 -0.136,652 -0.072,653 -0.227,654 -0.172,655 -0.183,656 -0.211,657 1.397,658 2.761,659 0.769,660 22.385,661 1.02,662 1.145,663 3.302,664 10.901,665 0.689,666 3.401,667 3.714,668 4.007,669 4.357,670 4.564,671 4.736,672 4.92,673 5.075,674 5.1,675 5.112,676 5.598,677 0.682,678 346.4,679 3.401,680 4.934,681 5.79,682 6.681,683 7.563,684 8.468,685 9.363,686 10.276,687 11.178,688 12.095,689 25,694 1,697 3,698 1,699 5,702 1,703 2,704 6,705 5,706 1,709 5,710 1,711 21,724 2,731 40,733 22,734 1,735 29,737 43,738 16,739 13,740 2,741 4,746 4,747 5,752 1,760 1,761 13,762 2,777 1,778 1,781 14,782 8,783 3,784 10,787 1,790 10,794 0.75,803 1,811 2,812 2,815 1,822 1,840 3,844 1,848 26,854 1,855 2,861 1,866 1,868 1,877 12.667,878 7.65,879 5.778,880 2.228,881 4.104,882 1.547,883 1.025,884 4.282,885 11.602,886 3.75,887 4.369,888 4.999,889 5.677,890 6.188,891 6.618,892 7.136,893 7.628,894 7.937,895 8.292,896 1,897 38,898 9.473,900 3.972,901 7.814,902 17.72,904 14.032,905 2.314,906 60.167,909 1,910 129.482,911 98.603,912 169.448,917 98.603,918 129.482,919 169.448,920 8.825,921 2.106,922 56.429,923 118.418,924 74.003,925 20.041,926 117.711,928 129.482,929 268.051,933 131.81,937 86.405,938 77.502,939 101.816,941 129.482,942 169.448,943 98.603,946 129.482,947 16.747,948 67.153,949 69.286,950 114.864,951 129.482,952 169.448,953 98.603,955 0.567,956 0.327,957 0.195,958 0.108,959 20,960 8,961 0.116,962 5,963 1,964 1.1,965 3.778,966 227.915,967 0.1,968 20,969 122.211,974 16.16,975 6.888,976 3.275,977 1.623,978 150.886,979 11.177,980 21.78,981 2.753,984 2.395,985 1.788,986 52.685,987 397.533,988 41.5,999 40.785,1000 45.813,1001 0.293,1002 0.749,1003 0.895,1004 0.959,1005 0.968,1006 0.968,1007 4.972,1008 1.392,1009 5.759,1010 4.288,1011 4.394,1012 5.056,1013 2.601,1014 6.578,1015 4.26,1016 6.194,1017 1.36,1018 7.307,1019 2.995,1020 3.892,1021 4.808,1023 7.469,1024 3.664,1025 7.504,1026 1.12,1027 8.959,1028 2.587,1029 5.974,1030 7.313,1031 4.271,1032 10.639,1033 5.69,1034 8.852,1035 0.618,1036 10.677,1037 2.514,1038 6.347,1039 7.974,1041 12.452,1042 5.966,1043 10.234,1044 0.525,1045 12.439,1046 1.402,1047 7.861,1048 9.885,1049 6.039,1050 15.134,1051 7.424,1052 11.641,1053 0.274,1054 14.234,1055 1.372,1056 8.66,1057 10.996,1059 17.342,1060 8.13,1061 13.069,1062 -0.124,1063 16.054,1064 0.447,1065 9.95,1066 12.666,1067 7.818,1068 19.872,1069 9.359,1070 3.283,1071 -0.396,1072 17.895,1073 -0.353,1074 10.953,1075 13.997,1077 22.24,1078 10.275,1079 2.734,1080 11.778,1081 19.753,1082 -0.99,1083 12.16,1084 15.571,1085 9.599,1086 24.723,1087 11.415,1088 2.558,1089 8.294,1090 21.625,1091 4.634,1092 13.258,1093 17.006,1095 27.152,1096 12.431,1097 2.236,1098 7.533,1099 23.508,1100 3.813,1101 14.438,1102 18.545,1103 11.38,1104 29.621,1105 13.541,1106 2.012,1107 6.852,1108 25.4,1109 3.498,1110 15.58,1111 20.029,1113 32.073,1114 14.604,1115 1.864,1116 5.655,1117 27.301,1118 3.058,1119 16.756,1120 21.558,1121 13.161,1122 34.539,1123 15.707,1124 1.476,1125 5.335,1126 29.209,1127 2.593,1128 17.918,1129 23.065,1131 37,1132 16.794,1133 7088,1134 12677,1135 19.879,1136 27.58,1137 44.468,1138 45.795,1139 43.774,1140 42.958,1141 42.903,1142 59.912,1143 6.431,1144 122.107,1145 40.154,1146 5.497,1147 6.043,1148 6.805,1149 5.309,1150 5.283,1151 7.634,1152 4.873,1153 18.987,1154 5.047,1155 9.369,1156 1.533,1157 1.579,1158 1.509,1159 1.481,1160 1.479,1161 2.066,1162 0.222,1163 4.211,1164 1.385,1165 4.136,1166 4.185,1167 4.116,1168 3.993,1169 6.818,1170 4.015,1171 3.863,1172 3.935,1173 3.81,1174 3.657,1175 5.155,1176 3.685,1177 3.803,1178 3.867,1179 3.768,1180 3.584,1181 5.023,1182 3.625,1183 3.5,1184 3.573,1185 3.42,1186 3.299,1187 4.913,1188 3.32,1189 3.375,1190 3.443,1191 3.295,1192 3.189,1193 4.351,1194 3.208,1195 3.091,1196 3.184,1197 2.945,1198 2.87,1199 4.172,1200 2.877,1201 2.92,1202 2.99,1203 2.837,1204 2.766,1205 4.006,1206 2.767,1207 2.794,1208 2.895,1209 2.675,1210 2.523,1211 3.758,1212 2.548,1213 0.162,1214 0.139,1215 0.239,1216 0.145,1217 0.113,1218 4.698,1219 0.16,1220 4.043,1221 0.084,1222 6.943,1223 0.406,1224 4.209,1225 0.105,1226 3.283,1227 4.634,1228 2.436,1229 11.778,1230 3.047,1231 1.924,1232 1.893,1233 2.012,1234 2.059,1235 1.119,1236 2.036,1237 1.724,1238 1.662,1239 1.825,1240 1.938,1241 0.831,1242 1.917,1243 1.529,1244 1.474,1245 1.665,1246 1.763,1247 0.726,1248 1.726,1249 1.435,1250 1.366,1251 1.649,1252 1.687,1253 0.706,1254 1.662,1255 1.359,1256 1.278,1257 1.522,1258 1.656,1259 0.546,1260 1.645,1261 1.182,1262 1.094,1263 1.353,1264 1.448,1265 0.272,1266 1.439,1267 1.023,1268 0.948,1269 1.202,1270 1.28,1271 0.199,1272 1.266,1273 0.921,1274 0.861,1275 1.076,1276 1.118,1277 0.127,1278 1.109,1279 4.078,1281 5.389,1282 3.045,1283 6.891,1284 5.352,1285 8.49,1286 7.424,1287 10.148,1289 1.767,1295 0.103,1296 6.015,1303 8.761,1304 2.006,1305 27.268,1306 62.355,1307 159.393,1308 190.513,1309 204.122,1310 206.122,1311 206.122,1312 28.79,1313 7.498,1314 133.02,1315 133.02,1316 22,1317 12.609,1318 4.524,1319 3.755,1320 37.65,1321 82,1322 110,1323 0.217,1324 170.416,1325 273.28,1326 407.575,1327 17446,1329 17.933,1330 0.69,1331 0.531,1332 17.933,1333 13.802,1334 12.742,1335 0.439,1336 0.27,1337 7.667,1338 12.09,1339 7.528,1340 6.266,1341 12.742,1342 7.826,1343 11.248,1344 0.281,1345 0.134,1346 11.248,1347 5.362,1348 9.31,1349 0.172,1350 0.066,1351 9.31,1352 3.562,1353 8.439,1354 0.11,1355 0.033,1356 8.439,1357 2.522,1358 6.533,1359 0.069,1360 0.017,1361 6.533,1362 1.572,1363 0.329,1364 80.752,1365 0.224,1366 24.616,1367 0.636,1368 138,1369 442.514,1370 157.483,1371 436.863,1372 611.31,1373 410,1374 163,1375 474.015,1376 182.65,1377 475.215,1378 694.99,1379 448,1380 5.208}
{0 CHEMBL1760170,1 1.549,2 10.074,3 3.104,4 9.634,5 100.039,6 8.382,7 0.7,8 3.907,9 4.048,10 3.576,11 3.378,12 5.132,13 3.409,14 4.385,15 4.573,16 3.925,17 3.728,18 5.577,19 3.735,20 4.537,21 4.769,22 3.88,23 3.745,24 5.639,25 3.749,26 4.491,27 4.701,28 3.942,29 3.752,30 5.689,31 3.76,32 4.524,33 4.732,34 3.965,35 3.798,36 5.693,37 3.822,38 4.59,39 4.791,40 4.018,41 3.909,42 5.802,43 3.897,44 4.673,45 4.901,46 3.876,47 3.912,48 5.765,49 3.86,50 4.64,51 4.897,52 3.653,53 3.802,54 5.697,55 3.701,56 0.111,57 0.778,58 7.045,59 2.739,60 10.611,61 3.586,62 0.361,63 1.149,64 13.477,65 4.908,66 22.95,67 6.645,68 0.387,69 1.213,70 18.382,71 4.598,72 38.373,73 6.847,74 0.446,75 1.217,76 16.094,77 4.813,78 35.146,79 6.726,80 0.412,81 1.274,82 16.507,83 3.962,84 31.565,85 5.585,86 0.42,87 1.36,88 17.276,89 5.83,90 36.818,91 7.961,92 0.409,93 1.352,94 20.562,95 6.448,96 34.779,97 9.153,98 0.418,99 1.193,100 21.996,101 7.205,102 42.114,103 10.518,104 9,105 41,106 0.264,107 0.681,108 0.828,109 0.882,110 0.89,111 0.89,112 3.341,113 0.833,114 -4.77,115 -4.69,116 -4.4,119 39.5,120 1,121 1,125 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,158 1,162 1,168 1,172 3,174 6,175 6,178 5,180 3,183 2,187 4,191 1,195 1,198 5,199 10,202 5,204 3,212 4,215 2,217 2,223 5,224 10,227 2,228 1,229 2,232 4,237 4,240 2,242 4,245 4,249 3,250 5,253 1,255 5,258 3,266 1,267 1,268 1,271 2,275 1234,276 18.731,277 18.731,278 18.731,279 18.731,280 18.731,281 16.06,282 24.595,283 11.497,284 19.301,285 14.874,286 14.874,287 14.874,288 14.874,289 14.874,290 10.803,291 40.079,292 5.515,293 15.854,294 3.877,295 1.431,296 0.567,297 0.25,298 0.204,299 0.204,300 4.04,303 1,304 1,305 1,306 592,307 3,310 116.197,311 148.94,314 105.713,318 1.495,319 22.403,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 59,331 272,332 4.698,333 4.037,334 6.943,335 4.209,336 3.283,337 4.634,338 2.308,339 11.778,340 3.047,341 4.144,342 3.377,343 5.873,344 3.652,345 2.734,346 3.813,347 0.4,348 8.294,349 2.509,350 3.941,351 2.853,352 5.587,353 3.503,354 2.558,355 3.498,356 0.4,357 7.534,358 2.412,359 3.628,360 2.675,361 5.362,362 3.174,363 2.237,364 3.058,366 6.853,367 2.091,368 3.5,369 2.355,370 4.974,371 2.945,372 2.018,373 2.588,375 5.656,376 1.867,377 3.311,378 2.245,379 4.788,380 2.789,381 1.864,382 2.544,384 5.337,385 1.722,386 3.259,387 1.977,388 4.533,389 2.543,390 1.579,391 2.143,393 4.288,394 1.519,395 2.937,396 1.752,397 3.646,398 2.407,399 1.453,400 2.06,402 3.06,403 1.383,404 2.859,405 1.477,406 3.604,407 2.368,408 1.386,409 2.023,411 2.992,412 1.359,413 2.558,414 1.408,415 3.513,416 2.056,417 1.12,418 1.581,420 2.52,421 1.046,422 2.289,423 1.175,424 3.327,425 1.644,426 0.721,427 0.972,428 1.416,429 0.664,430 2.118,431 0.849,432 3,433 1.604,434 0.618,435 0.927,436 1.372,437 0.609,438 1.995,439 0.618,440 2.884,441 1.462,442 0.52,443 0.758,445 1.226,446 0.489,447 1.232,448 0.547,449 2.774,450 0.799,451 -0.124,452 -0.157,454 -0.35,455 -0.114,456 1.173,457 0.016,458 2.538,459 0.713,460 -0.211,461 -0.285,463 -0.386,464 -0.194,465 12.5,466 0.463,467 0.516,468 0.019,469 41.5,470 1.537,471 22,472 0.815,473 19.5,474 0.722,475 17.901,476 0.663,477 27.7,478 0.644,479 29.384,480 1.088,481 8.173,482 0.303,483 5.069,484 0.188,485 0.072,487 0.312,493 0.986,494 1.517,495 0.697,496 1.097,497 0.61,498 0.882,499 0.568,500 0.976,501 0.745,502 1.019,503 0.481,504 0.937,505 1.392,506 1.192,507 0.967,508 0.862,509 1.12,510 0.832,511 0.934,512 0.973,513 0.905,514 0.936,515 0.857,516 0.918,517 1.605,518 1.147,519 1.064,520 0.786,521 1.008,522 0.807,523 0.904,524 0.994,525 0.952,526 1.011,527 0.551,528 0.995,529 1.141,530 1.08,531 1.162,532 1.117,533 0.807,534 1.139,535 0.829,536 0.941,537 1.126,538 1.18,539 0.772,540 1.209,541 4.5,542 0.061,543 1.778,544 2.201,545 1.081,546 0.962,547 0.649,548 0.395,549 0.207,550 0.106,551 8322,552 25220,553 2.142,554 37.2,556 7,557 1,559 3,560 5,564 1.708,565 2.051,566 3.255,567 1.055,568 1,569 1,573 66.623,574 1.549,575 3.995,576 4.86,577 5.176,578 5.223,579 5.223,580 2.756,581 4.31,582 4.719,583 3.415,584 1198.71,585 8.239,586 15094.2,588 1,590 1,591 233.329,592 1.218,593 4.706,594 0.15,595 0.005,596 0.043,597 0.056,598 0.026,599 0.022,600 0.014,601 0.01,602 0.007,603 0.006,604 0.341,605 0.17,606 1,607 1.159,608 131.914,609 -0.106,610 -0.324,611 0.048,612 -0.119,613 -0.009,614 -0.024,615 0.416,616 0.132,617 0.112,618 -0.064,619 0.127,620 -0.044,621 -0.296,622 -0.183,624 0.054,625 -0.238,626 0.083,627 0.167,628 0.101,629 0.005,630 -0.029,631 0.017,632 -0.043,633 -0.437,634 -0.048,635 -0.169,636 0.083,637 -0.228,638 0.025,639 0.069,640 0.084,641 -0.072,642 -0.05,643 0.168,644 -0.084,645 -0.209,646 -0.086,647 -0.217,648 -0.129,649 -0.092,650 -0.166,651 0.033,652 -0.039,653 -0.104,654 -0.143,655 0.039,656 -0.151,657 1.253,658 2.709,659 0.741,660 25.226,661 1.016,662 1.145,663 3.545,664 12.566,665 0.682,666 3.434,667 3.738,668 4.025,669 4.369,670 4.575,671 4.754,672 4.934,673 5.1,674 5.124,675 5.159,676 5.919,677 0.67,678 360.43,679 3.434,680 4.963,681 5.814,682 6.701,683 7.579,684 8.482,685 9.375,686 10.286,687 11.187,688 12.103,689 23.3,694 1,697 3,698 1,699 5,702 1,703 2,704 6,705 5,706 1,709 5,710 1,711 21,724 2,731 43,733 22,734 1,735 30,737 46,738 17,739 13,740 2,741 4,746 4,747 5,752 1,758 1,760 1,761 13,762 3,777 1,778 1,781 16,782 8,783 3,784 10,787 1,790 10,794 0.75,803 1,811 2,812 2,815 1,822 1,840 3,844 1,848 27,854 2,855 2,861 1,866 1,868 1,877 13.167,878 8.15,879 6.028,880 2.478,881 4.103,882 1.542,883 1.017,884 4.755,885 11.674,886 3.773,887 4.382,888 5.006,889 5.68,890 6.182,891 6.618,892 7.128,893 7.628,894 7.924,895 8.301,896 0.857,897 39,898 9.854,900 4.117,901 7.784,902 18.537,904 14.699,905 2.284,906 61.667,909 1,910 153.024,911 101.137,912 169.448,917 101.137,918 153.024,919 169.448,920 8.825,921 4.64,922 56.429,923 118.418,924 74.003,925 20.041,926 141.253,928 153.024,929 270.585,933 155.352,937 88.939,938 77.502,939 101.816,941 153.024,942 169.448,943 101.137,946 153.024,947 19.282,948 67.153,949 69.286,950 114.864,951 153.024,952 169.448,953 101.137,955 0.564,956 0.323,957 0.191,958 0.103,959 20,960 8,961 0.13,962 6,963 1,964 1.1,965 3.886,966 237.571,967 0.1,968 20,969 128.382,974 17.107,975 7.505,976 3.63,977 1.65,978 150.886,979 11.239,980 22.008,981 2.763,984 2.564,985 1.814,986 52.685,987 423.61,988 42.5,999 43.669,1000 49.229,1001 0.286,1002 0.736,1003 0.896,1004 0.954,1005 0.962,1006 0.962,1007 4.992,1008 1.453,1009 5.778,1010 4.288,1011 4.419,1012 5.069,1013 2.509,1014 6.589,1015 4.288,1016 6.208,1017 1.386,1018 7.321,1019 3.06,1020 3.892,1021 4.808,1023 7.469,1024 3.664,1025 7.514,1026 1.12,1027 8.968,1028 2.992,1029 5.989,1030 7.317,1031 4.058,1032 10.641,1033 5.71,1034 8.86,1035 0.721,1036 10.683,1037 2.52,1038 6.347,1039 7.974,1041 12.452,1042 5.966,1043 10.239,1044 0.618,1045 12.443,1046 1.416,1047 7.869,1048 9.886,1049 5.715,1050 15.134,1051 7.435,1052 11.644,1053 0.52,1054 14.236,1055 1.372,1056 8.66,1057 10.996,1059 17.342,1060 8.13,1061 13.072,1062 -0.124,1063 16.056,1064 1.226,1065 9.953,1066 12.666,1067 7.386,1068 19.872,1069 9.364,1070 3.283,1071 -0.211,1072 17.896,1073 -0.35,1074 10.953,1075 13.997,1077 22.24,1078 10.275,1079 2.734,1080 11.778,1081 19.753,1082 -0.386,1083 12.161,1084 15.571,1085 9.058,1086 24.723,1087 11.417,1088 2.558,1089 8.294,1090 21.625,1091 4.634,1092 13.258,1093 17.006,1095 27.152,1096 12.431,1097 2.237,1098 7.534,1099 23.508,1100 3.813,1101 14.439,1102 18.545,1103 10.731,1104 29.621,1105 13.542,1106 2.018,1107 6.853,1108 25.401,1109 3.498,1110 15.58,1111 20.029,1113 32.073,1114 14.605,1115 1.864,1116 5.656,1117 27.301,1118 3.058,1119 16.756,1120 21.557,1121 12.404,1122 34.539,1123 15.708,1124 1.579,1125 5.337,1126 29.209,1127 2.588,1128 17.918,1129 23.065,1131 37,1132 16.794,1133 7996,1134 14062,1135 20.572,1136 29.341,1137 45.637,1138 47.445,1139 45.083,1140 44.273,1141 44.184,1142 61.198,1143 6.216,1144 124.652,1145 41.432,1146 5.515,1147 6.037,1148 6.853,1149 5.309,1150 5.283,1151 7.634,1152 4.616,1153 18.987,1154 5.047,1155 9.691,1156 1.521,1157 1.581,1158 1.503,1159 1.476,1160 1.473,1161 2.04,1162 0.207,1163 4.155,1164 1.381,1165 4.137,1166 4.186,1167 4.116,1168 3.993,1169 6.818,1170 4.016,1171 3.863,1172 3.935,1173 3.81,1174 3.657,1175 5.156,1176 3.686,1177 3.808,1178 3.873,1179 3.769,1180 3.594,1181 5.023,1182 3.631,1183 3.589,1184 3.658,1185 3.487,1186 3.419,1187 4.914,1188 3.427,1189 3.38,1190 3.447,1191 3.303,1192 3.194,1193 4.352,1194 3.215,1195 3.158,1196 3.251,1197 3.033,1198 2.922,1199 4.209,1200 2.935,1201 2.979,1202 3.066,1203 2.878,1204 2.792,1205 4.011,1206 2.799,1207 2.855,1208 2.934,1209 2.709,1210 2.641,1211 3.775,1212 2.654,1213 0.157,1214 0.135,1215 0.231,1216 0.14,1217 0.109,1218 4.698,1219 0.154,1220 4.037,1221 0.077,1222 6.943,1223 0.393,1224 4.209,1225 0.102,1226 3.283,1227 4.634,1228 2.308,1229 11.778,1230 3.047,1231 1.924,1232 1.893,1233 2.012,1234 2.06,1235 1.119,1236 2.037,1237 1.733,1238 1.669,1239 1.864,1240 1.942,1241 1.051,1242 1.927,1243 1.576,1244 1.512,1245 1.764,1246 1.795,1247 0.799,1248 1.786,1249 1.509,1250 1.454,1251 1.663,1252 1.716,1253 0.707,1254 1.7,1255 1.362,1256 1.281,1257 1.525,1258 1.686,1259 0.55,1260 1.651,1261 1.185,1262 1.096,1263 1.381,1264 1.45,1265 0.305,1266 1.449,1267 1.081,1268 0.997,1269 1.246,1270 1.357,1271 0.235,1272 1.336,1273 0.957,1274 0.9,1275 1.136,1276 1.175,1277 0.191,1278 1.166,1279 4.111,1281 5.416,1282 3.045,1283 6.911,1284 5.352,1285 8.505,1286 7.424,1287 10.157,1289 1.792,1295 0.822,1296 6.223,1303 8.709,1304 2.084,1305 28.794,1306 66.623,1307 171.804,1308 208.965,1309 222.574,1310 224.574,1311 224.574,1312 31.855,1313 7.57,1314 133.02,1315 133.02,1316 22,1317 12.617,1318 4.524,1319 3.755,1320 39.862,1321 90,1322 128,1323 0.209,1324 180.008,1325 290.58,1326 430.98,1327 19373,1329 18.64,1330 0.69,1331 0.537,1332 18.64,1333 14.509,1334 13.242,1335 0.441,1336 0.278,1337 8.167,1338 12.589,1339 8.022,1340 6.671,1341 13.242,1342 8.326,1343 11.602,1344 0.283,1345 0.139,1346 11.602,1347 5.685,1348 9.56,1349 0.174,1350 0.068,1351 9.56,1352 3.757,1353 8.629,1354 0.111,1355 0.034,1356 8.629,1357 2.634,1358 6.593,1359 0.069,1360 0.017,1361 6.593,1362 1.637,1363 0.319,1364 83.752,1365 0.22,1366 25.563,1367 0.604,1368 142,1369 446.514,1370 161.483,1371 440.85,1372 616.99,1373 414,1374 167,1375 478.015,1376 186.622,1377 478.887,1378 699.89,1379 452,1380 5.114}
{0 CHEMBL1760171,1 1.538,2 9.308,3 4.317,4 18.638,5 97.856,6 8.425,7 0.724,8 3.864,9 4.003,10 3.541,11 3.343,12 5.094,13 3.375,14 4.322,15 4.505,16 3.897,17 3.681,18 5.544,19 3.696,20 4.445,21 4.66,22 3.848,23 3.703,24 5.568,25 3.711,26 4.441,27 4.649,28 3.91,29 3.719,30 5.627,31 3.729,32 4.47,33 4.673,34 3.935,35 3.768,36 5.648,37 3.79,38 4.546,39 4.748,40 3.965,41 3.872,42 5.724,43 3.86,44 4.608,45 4.833,46 3.817,47 3.867,48 5.721,49 3.81,50 4.541,51 4.788,52 3.543,53 3.734,54 5.594,55 3.632,56 0.101,57 0.741,58 6.63,59 2.613,60 10.325,61 3.296,62 0.347,63 1.104,64 12.288,65 4.492,66 21.634,67 5.91,68 0.309,69 1.163,70 15.672,71 4.334,72 30.018,73 5.999,74 0.406,75 1.185,76 15.107,77 4.635,78 28.107,79 6.269,80 0.352,81 1.232,82 15.374,83 4.109,84 27.961,85 5.48,86 0.386,87 1.31,88 16.547,89 5.489,90 29.177,91 7.292,92 0.348,93 1.291,94 19.025,95 6.399,96 34.45,97 8.793,98 0.347,99 1.122,100 19.101,101 6.45,102 37.107,103 9.042,104 8,105 40,106 0.264,107 0.696,108 0.827,109 0.884,110 0.892,111 0.892,112 3.305,113 0.816,114 -5.51,115 -5.38,116 -5.02,119 41.5,120 1,125 1,140 1,141 1,142 5,146 1,147 1,149 1,150 2,151 1,152 1,162 1,168 1,172 4,174 6,175 5,178 5,180 3,183 2,187 4,191 1,192 1,195 1,198 5,199 10,202 4,204 3,212 6,215 2,217 2,223 3,224 10,227 2,228 1,229 2,232 4,237 6,240 2,242 4,245 5,249 1,250 4,253 1,255 5,258 3,263 1,266 1,267 1,268 2,271 3,275 1096,276 18.024,277 18.024,278 18.024,279 18.024,280 18.024,281 15.353,282 24.068,283 10.997,284 18.575,285 14.374,286 14.374,287 14.374,288 14.374,289 14.374,290 10.303,291 39.215,292 5.261,293 15.327,294 3.82,295 1.304,296 0.545,297 0.214,298 0.165,299 0.165,300 4.004,304 1,305 1,306 527,307 2.828,310 110.503,311 140.467,314 100.107,318 1.355,319 19.378,321 1,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 56.5,331 242,332 4.698,333 3.377,334 6.943,335 4.209,336 3.283,337 4.634,338 0.867,339 11.778,340 3.047,341 4.145,342 2.877,343 5.873,344 3.652,345 2.734,346 3.813,347 0.4,348 8.294,349 2.508,350 3.941,351 2.677,352 5.587,353 3.503,354 2.558,355 3.498,357 7.533,358 2.412,359 3.633,360 2.525,361 5.362,362 3.173,363 2.236,364 3.058,366 6.852,367 2.09,368 3.5,369 2.296,370 4.974,371 2.936,372 2.012,373 2.593,375 5.655,376 1.856,377 3.285,378 2.061,379 4.788,380 2.789,381 1.864,382 2.546,384 5.335,385 1.722,386 3.257,387 1.966,388 4.533,389 2.431,390 1.476,391 2.145,393 4.288,394 1.407,395 2.936,396 1.477,397 3.644,398 2.373,399 1.392,400 2.023,402 2.995,403 1.364,404 2.859,405 1.408,406 3.519,407 2.325,408 1.36,409 1.976,411 2.587,412 1.31,413 2.557,414 1.175,415 3.425,416 2.056,417 1.12,418 1.581,420 2.514,421 1.045,422 2.118,423 0.618,424 3.326,425 1.604,426 0.618,427 0.927,428 1.402,429 0.609,430 2.001,431 0.579,432 3,433 1.468,434 0.525,435 0.764,436 1.372,437 0.494,438 1.909,439 0.49,440 2.776,441 1.212,442 0.274,443 0.398,445 0.447,446 0.256,447 1.176,448 0.016,449 2.617,450 0.799,451 -0.124,452 -0.157,454 -0.353,455 -0.115,456 0.963,457 -0.131,458 2.525,459 0.54,460 -0.396,461 -0.504,463 -0.99,464 -0.369,465 12.1,466 0.465,467 0.516,468 0.02,469 39.75,470 1.529,471 21,472 0.808,473 18.75,474 0.721,475 16.688,476 0.642,477 26.3,478 0.641,479 28.394,480 1.092,481 8.034,482 0.309,483 4.708,484 0.181,485 0.083,487 0.322,493 1.029,494 1.481,495 0.696,496 1.049,497 0.921,498 0.852,499 0.598,500 0.938,501 0.731,502 0.953,503 0.591,504 0.885,505 1.405,506 1.275,507 0.973,508 0.931,509 1.251,510 0.878,511 0.974,512 0.977,513 0.886,514 0.898,515 0.778,516 0.879,517 1.524,518 1.165,519 0.996,520 0.806,521 0.994,522 0.797,523 1.054,524 0.973,525 0.984,526 0.936,527 0.816,528 0.944,529 1.083,530 1.073,531 1.144,532 1.13,533 0.992,534 1.146,535 1.008,536 0.965,537 1.262,538 1.203,539 1.189,540 1.268,541 4.5,542 0.041,543 1.778,544 2.201,545 1.081,546 0.962,547 0.649,548 0.348,549 0.186,550 0.106,551 7393,552 21667,553 2.148,554 36.6,556 7,557 2,559 3,560 3,564 1.699,565 2.053,566 3.167,567 1.05,569 1,573 63.04,574 1.538,575 4.053,576 4.812,577 5.144,578 5.193,579 5.193,580 2.656,581 4.21,582 4.667,583 3.311,584 1076.09,585 8.138,586 13134.3,588 1,590 1,591 219.66,592 1.239,593 4.65,594 0.155,595 0.005,596 0.044,597 0.058,598 0.027,599 0.023,600 0.015,601 0.01,602 0.007,603 0.007,604 0.351,605 0.17,606 0.88,607 1.008,608 124.754,609 -0.104,610 -0.314,611 0.049,612 -0.115,613 -0.147,614 -0.023,615 0.46,616 0.174,617 0.12,618 -0.041,619 0.192,620 -0.031,621 -0.288,622 -0.233,623 -0.04,624 -0.03,625 -0.289,626 0.007,627 0.168,628 0.096,629 0.027,630 -0.008,631 0.118,632 -0.017,633 -0.354,634 -0.074,635 -0.102,636 0.066,637 -0.101,638 0.039,639 -0.034,640 0.09,641 -0.093,643 0.05,644 -0.047,645 -0.16,646 -0.092,647 -0.194,648 -0.143,649 -0.083,650 -0.169,651 -0.125,652 -0.046,653 -0.255,654 -0.184,655 -0.204,656 -0.234,657 1.256,658 1.63,659 0.769,660 22.385,661 1.014,662 1.14,663 4.276,664 18.282,665 0.691,666 3.401,667 3.714,668 4.007,669 4.357,670 4.564,671 4.736,672 4.92,673 5.075,674 5.1,675 5.112,676 5.598,677 0.677,678 345.41,679 3.401,680 4.934,681 5.79,682 6.681,683 7.563,684 8.468,685 9.363,686 10.276,687 11.178,688 12.095,689 22,694 1,697 3,699 5,702 1,703 2,704 6,705 5,706 1,709 5,710 1,711 21,724 2,731 41,733 22,734 1,735 29,737 44,738 17,739 13,740 2,741 4,746 4,747 5,752 1,760 2,761 13,762 2,778 1,781 15,782 7,783 3,784 9,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,819 1,821 1,840 3,844 1,848 26,854 1,855 2,861 1,862 1,868 1,877 12.667,878 7.783,879 5.778,880 2.261,881 4.104,882 1.547,883 1.031,884 4.322,885 11.602,886 3.75,887 4.369,888 4.999,889 5.677,890 6.188,891 6.618,892 7.136,893 7.628,894 7.937,895 8.292,896 1,897 38,898 9.474,900 3.956,901 7.737,902 17.812,904 14.09,905 2.237,906 58.167,909 1,910 141.253,911 122.353,912 138.389,917 122.353,918 141.253,919 138.389,920 8.825,921 2.106,922 56.429,923 101.816,924 42.944,925 72.164,926 117.711,928 141.253,929 260.742,933 143.581,937 55.345,938 84.222,939 118.846,941 141.253,942 138.389,943 122.353,946 141.253,947 16.747,948 67.153,949 69.715,950 107.126,951 141.253,952 138.389,953 122.353,955 0.567,956 0.327,957 0.195,958 0.108,959 20,960 8,961 0.114,962 5,963 1,964 1.1,965 3.778,966 227.915,967 0.1,968 20,969 122.211,974 16.222,975 6.928,976 3.298,977 1.667,978 119.827,979 11.27,980 21.956,981 2.765,984 2.598,985 1.819,986 52.685,987 401.995,988 41.5,999 41.567,1000 46.73,1001 0.287,1002 0.757,1003 0.898,1004 0.96,1005 0.969,1006 0.969,1007 4.972,1008 1.392,1009 5.759,1010 4.288,1011 4.394,1012 5.056,1013 1.038,1014 6.578,1015 4.263,1016 6.194,1017 1.36,1018 7.307,1019 2.995,1020 3.892,1021 4.808,1023 7.469,1024 3.664,1025 7.504,1026 1.12,1027 8.959,1028 2.587,1029 5.974,1030 7.313,1031 0.78,1032 10.639,1033 5.693,1034 8.852,1035 0.618,1036 10.677,1037 2.514,1038 6.347,1039 7.974,1041 12.452,1042 5.966,1043 10.234,1044 0.525,1045 12.439,1046 1.402,1047 7.861,1048 9.885,1049 0.62,1050 15.134,1051 7.426,1052 11.641,1053 0.274,1054 14.234,1055 1.372,1056 8.66,1057 10.996,1059 17.342,1060 8.13,1061 13.069,1062 -0.124,1063 16.054,1064 0.447,1065 9.95,1066 12.666,1067 0.495,1068 19.872,1069 9.359,1070 3.283,1071 -0.396,1072 17.895,1073 -0.353,1074 10.953,1075 13.997,1077 22.24,1078 10.275,1079 2.734,1080 11.778,1081 19.753,1082 -0.99,1083 12.16,1084 15.571,1085 0.393,1086 24.723,1087 11.415,1088 2.558,1089 8.294,1090 21.625,1091 4.634,1092 13.258,1093 17.006,1095 27.152,1096 12.431,1097 2.236,1098 7.533,1099 23.508,1100 3.813,1101 14.438,1102 18.545,1103 0.309,1104 29.621,1105 13.541,1106 2.012,1107 6.852,1108 25.4,1109 3.498,1110 15.58,1111 20.029,1113 32.073,1114 14.604,1115 1.864,1116 5.655,1117 27.301,1118 3.058,1119 16.756,1120 21.558,1121 0.241,1122 34.539,1123 15.708,1124 1.476,1125 5.335,1126 29.209,1127 2.593,1128 17.918,1129 23.065,1131 37,1132 16.794,1133 7088,1134 12285,1135 19.879,1136 28.336,1137 44.468,1138 43.322,1139 43.774,1140 42.987,1141 42.903,1142 59.912,1143 2.534,1144 122.107,1145 40.241,1146 5.497,1147 5.377,1148 6.805,1149 5.309,1150 5.283,1151 7.634,1152 1.734,1153 18.987,1154 5.047,1155 9.369,1156 1.533,1157 1.494,1158 1.509,1159 1.482,1160 1.479,1161 2.066,1162 0.087,1163 4.211,1164 1.388,1165 4.136,1166 4.185,1167 4.116,1168 3.993,1169 5.434,1170 4.016,1171 3.863,1172 3.935,1173 3.81,1174 3.657,1175 5.152,1176 3.685,1177 3.803,1178 3.866,1179 3.767,1180 3.59,1181 5.023,1182 3.628,1183 3.509,1184 3.57,1185 3.413,1186 3.382,1187 4.912,1188 3.383,1189 3.376,1190 3.443,1191 3.295,1192 3.193,1193 4.35,1194 3.213,1195 3.103,1196 3.192,1197 2.95,1198 2.895,1199 4.154,1200 2.898,1201 2.931,1202 3.001,1203 2.842,1204 2.779,1205 4.003,1206 2.78,1207 2.802,1208 2.9,1209 2.676,1210 2.538,1211 3.757,1212 2.56,1213 0.162,1214 0.116,1215 0.239,1216 0.145,1217 0.113,1218 4.698,1219 0.16,1220 3.377,1221 0.03,1222 6.943,1223 0.406,1224 4.209,1225 0.105,1226 3.283,1227 4.634,1228 0.867,1229 11.778,1230 3.047,1231 1.924,1232 1.893,1233 2.012,1234 2.059,1235 1.119,1236 2.036,1237 1.727,1238 1.665,1239 1.83,1240 1.937,1241 0.834,1242 1.917,1243 1.538,1244 1.484,1245 1.695,1246 1.762,1247 0.736,1248 1.729,1249 1.48,1250 1.428,1251 1.662,1252 1.687,1253 0.706,1254 1.668,1255 1.361,1256 1.28,1257 1.524,1258 1.654,1259 0.546,1260 1.648,1261 1.184,1262 1.095,1263 1.365,1264 1.448,1265 0.273,1266 1.441,1267 1.047,1268 0.97,1269 1.223,1270 1.29,1271 0.199,1272 1.285,1273 0.94,1274 0.884,1275 1.112,1276 1.13,1277 0.13,1278 1.127,1279 4.078,1281 5.389,1282 3.045,1283 6.891,1284 5.352,1285 8.49,1286 7.424,1287 10.148,1289 1.798,1295 0.325,1296 6.16,1302 5.303,1304 2.506,1305 27.773,1306 63.04,1307 166.176,1308 197.295,1309 210.905,1310 212.905,1311 212.905,1312 27.438,1313 7.498,1314 109.23,1315 109.23,1316 22,1317 12.609,1318 4.524,1319 3.755,1320 37.65,1321 82,1322 110,1323 0.217,1324 173.214,1325 279.58,1326 414.402,1327 17446,1329 17.933,1330 0.69,1331 0.536,1332 17.933,1333 13.932,1334 12.742,1335 0.439,1336 0.272,1337 7.74,1338 12.136,1339 7.587,1340 6.329,1341 12.742,1342 7.891,1343 11.248,1344 0.281,1345 0.135,1346 11.248,1347 5.408,1348 9.31,1349 0.172,1350 0.066,1351 9.31,1352 3.585,1353 8.439,1354 0.11,1355 0.033,1356 8.439,1357 2.534,1358 6.533,1359 0.069,1360 0.017,1361 6.533,1362 1.583,1363 0.329,1364 80.399,1365 0.224,1366 24.616,1367 0.636,1368 138,1369 422.869,1370 156.789,1371 418.937,1372 591.87,1373 394,1374 163,1375 464.606,1376 182.123,1377 466.793,1378 684.35,1379 440,1380 5.398}
{0 CHEMBL1760172,1 1.784,2 7.44,3 2.981,4 8.885,5 85.216,6 9.537,7 0.75,8 3.779,9 3.914,10 3.531,11 3.205,12 5.116,13 3.282,14 4.238,15 4.404,16 3.944,17 3.561,18 5.653,19 3.634,20 4.379,21 4.573,22 3.929,23 3.562,24 5.879,25 3.648,26 4.337,27 4.519,28 3.93,29 3.573,30 5.748,31 3.632,32 4.382,33 4.581,34 3.938,35 3.593,36 5.749,37 3.67,38 4.42,39 4.618,40 3.971,41 3.674,42 5.857,43 3.706,44 4.444,45 4.648,46 3.809,47 3.607,48 5.85,49 3.627,50 4.357,51 4.596,52 3.652,53 3.379,54 5.866,55 3.382,56 0.24,57 0.791,58 4.152,59 2.174,60 18.861,61 2.211,62 0.453,63 1.186,64 8.392,65 4.056,66 32.749,67 4.486,68 0.775,69 1.353,70 11.916,71 3.492,72 86.638,73 3.425,74 0.614,75 1.179,76 10.114,77 4.165,78 50.777,79 4.642,80 0.632,81 1.243,82 11.558,83 3.269,84 48.638,85 3.633,86 0.658,87 1.259,88 12.643,89 4.837,90 54.388,91 6.155,92 0.714,93 1.261,94 12.44,95 4.688,96 68.443,97 5.06,98 0.726,99 1.128,100 15.172,101 5.125,102 73.888,103 6.701,104 17,105 41,106 0.317,107 0.723,108 0.832,109 0.875,110 0.885,111 0.885,112 3.269,113 0.765,114 -5.09,115 -4.98,116 -4.67,119 38.9,120 1,142 3,144 2,146 1,147 1,149 1,150 2,151 1,152 1,162 1,163 1,164 1,165 1,168 1,174 6,175 5,177 2,178 5,180 2,187 2,191 1,195 1,198 5,199 6,201 2,202 4,204 3,209 1,212 2,215 2,223 3,224 6,226 1,227 2,228 1,229 2,231 1,232 3,234 1,237 1,240 2,242 3,245 1,247 1,249 1,250 2,252 1,253 1,255 1,258 1,260 1,266 1,267 1,268 1,270 1,275 945,276 16.687,277 16.687,278 16.687,279 16.687,280 16.687,281 14.093,282 21.558,283 9.673,284 17.313,285 13.86,286 13.86,287 13.86,288 13.86,289 13.86,290 9.974,291 31.545,292 4.669,293 14.972,294 3.386,295 1.097,296 0.486,297 0.243,298 0.188,299 0.188,300 3.96,303 1,304 1,305 1,306 403,307 2.449,310 107.713,311 129.638,314 94.094,318 1.142,319 38.06,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 57.5,331 186,332 4.724,333 3.444,334 6.955,335 4.235,336 3.306,337 4.675,338 0.4,339 11.827,340 3.075,341 4.188,342 3.196,343 6.039,344 3.712,345 2.79,346 3.849,348 8.652,349 2.56,350 4,351 2.795,352 5.673,353 3.552,354 2.63,355 3.549,357 7.678,358 2.428,359 3.872,360 2.632,361 5.524,362 3.401,363 2.471,364 3.419,366 7.21,367 2.279,368 3.46,369 2.245,370 5.271,371 2.992,372 2.063,373 2.827,375 6.417,376 1.908,377 3.232,378 2.122,379 4.946,380 2.796,381 1.879,382 2.499,384 5.527,385 1.721,386 3.222,387 2.079,388 4.631,389 2.755,390 1.828,391 2.481,393 4.963,394 1.69,395 3.016,396 1.923,397 4.618,398 2.526,399 1.592,400 2.225,402 4.673,403 1.478,404 2.567,405 1.287,406 3.908,407 2.069,408 1.137,409 1.595,411 2.628,412 1.057,413 2.287,414 1.202,415 3.449,416 1.777,417 0.899,418 1.209,420 2.469,421 0.779,422 2.118,423 0.618,424 3,425 1.604,426 0.618,427 0.927,428 1.372,429 0.609,430 1.318,431 0.364,432 2.987,433 0.931,434 0.036,435 0.045,436 0.103,437 0.032,438 1.079,439 0.083,440 2.701,441 0.658,442 -0.229,443 -0.289,445 -0.617,446 -0.201,447 1,448 -0.126,449 2.561,450 0.572,451 -0.347,452 -0.445,454 -0.891,455 -0.318,456 0.847,457 -0.162,458 2.432,459 0.426,460 -0.489,461 -0.603,463 -1.215,464 -0.447,465 11.171,466 0.447,467 0.75,468 0.03,469 37.5,470 1.5,471 19,472 0.76,473 18.5,474 0.74,475 16.387,476 0.655,477 26.629,478 0.74,479 28.114,480 1.125,481 7.601,482 0.304,483 4.407,484 0.176,485 0.132,487 0.439,491 2,493 0.776,494 1.225,495 0.607,496 1.011,497 0.65,498 0.789,499 0.59,500 0.942,501 0.543,502 0.967,503 0.553,504 0.813,505 1.198,506 1.152,507 1.027,508 0.859,509 0.963,510 0.82,511 0.762,512 0.937,513 0.851,514 1.051,515 0.79,516 1.021,517 0.968,518 0.959,519 0.926,520 0.771,521 0.804,522 0.768,523 0.497,524 0.765,525 0.696,526 0.966,527 0.511,528 0.945,529 1.07,530 1.061,531 1.259,532 1.2,533 1.053,534 1.277,535 0.843,536 1.076,537 0.953,538 1.294,539 0.916,540 1.237,541 6,543 2.444,544 2.451,545 1.343,546 1.254,547 0.659,548 0.538,549 0.348,550 0.121,551 6380,552 23780,553 2.105,554 30.6,556 3,557 1,559 4,560 3,564 1.69,565 1.948,566 2.917,567 1.934,568 1,569 1,571 1,573 64.231,574 1.784,575 4.072,576 4.684,577 4.927,578 4.982,579 4.982,580 2.229,581 4.164,582 4.614,583 3.109,584 932.8,585 8.036,586 11130.3,587 1,588 1,589 1,590 1,591 186.117,592 1.473,593 4.565,594 0.214,596 0.06,597 0.063,598 0.034,599 0.031,600 0.016,601 0.016,602 0.013,603 0.009,604 0.458,605 0.17,606 1,607 0.609,608 117.169,609 -0.159,610 -0.243,611 -0.001,612 -0.063,613 -0.13,614 0.025,615 0.129,616 0.013,617 0.198,618 -0.027,619 0.067,620 0.053,621 -0.213,622 -0.132,623 -0.161,624 0.045,625 -0.006,626 0.025,627 0.085,628 0.046,629 -0.038,630 -0.12,631 -0.002,632 -0.151,633 -0.175,634 -0.062,635 -0.094,636 0.094,637 -0.108,638 0.081,639 0.25,640 0.127,641 0.183,642 0.011,643 0.169,644 0.034,645 -0.148,646 -0.086,647 -0.343,648 -0.228,649 -0.133,650 -0.327,651 0.206,652 -0.14,653 0.194,654 -0.245,655 0.193,656 -0.111,657 2.682,658 5.758,659 0.8,660 19.408,661 1.047,662 1.167,663 3.857,664 14.877,665 0.679,666 3.367,667 3.738,668 4.025,669 4.369,670 4.595,671 4.804,672 4.97,673 5.142,674 5.165,675 5.165,676 5.157,677 0.695,678 343.34,679 3.367,680 4.934,681 5.802,682 6.711,683 7.601,684 8.519,685 9.422,686 10.345,687 11.254,688 12.18,689 25,693 1,697 3,699 5,702 1,703 2,704 4,705 5,706 1,709 7,710 1,711 21,722 1,724 1,730 2,731 36,733 21,734 1,735 28,737 39,738 14,739 13,740 4,741 2,746 4,747 5,752 1,761 13,762 1,777 1,778 1,779 2,781 11,782 9,783 4,784 11,787 1,790 9,794 0.75,803 1,811 2,812 2,815 1,840 3,844 1,846 2,848 25,849 1,855 1,869 2,877 12.833,878 6.902,879 5.306,880 1.916,881 3.805,882 1.513,883 1.057,884 3.641,885 11.221,886 3.676,887 4.382,888 5.022,889 5.71,890 6.247,891 6.719,892 7.216,893 7.718,894 8.031,895 8.384,896 0.8,897 39,898 9.22,900 4.109,901 8.18,902 16.573,904 13.382,905 2.68,906 67,910 82.398,911 79.185,912 153.275,915 29.92,917 79.185,918 82.398,919 183.195,920 8.825,922 70.373,923 83.805,924 61.186,925 49.962,926 70.627,928 82.398,929 232.46,930 29.92,933 114.646,937 53.239,938 93.087,939 83.805,941 112.318,942 153.275,943 79.185,946 82.398,947 32.883,948 48.2,949 34.674,950 146.623,951 82.398,952 183.195,953 79.185,955 0.594,956 0.341,957 0.192,958 0.104,959 22,960 10,961 0.077,962 3,963 1,964 1.1,965 3.591,966 222.216,967 0.1,968 20,969 116.096,974 15.572,975 5.846,976 2.82,977 0.482,978 164.633,979 5.286,980 20.426,981 2.649,984 -0.853,985 1.414,986 67.571,987 344.778,988 38.5,999 37.709,1000 41.995,1001 0.345,1002 0.788,1003 0.906,1004 0.953,1005 0.964,1006 0.964,1007 4.922,1008 1.592,1009 5.814,1010 4.963,1011 4.419,1012 5.069,1013 0.278,1014 6.663,1015 4.265,1016 6.176,1017 1.137,1018 7.393,1019 4.673,1020 4.111,1021 5.007,1023 7.594,1024 3.859,1025 7.511,1026 0.899,1027 9.068,1028 2.628,1029 6.047,1030 7.379,1031 0.05,1032 10.742,1033 5.743,1034 8.883,1035 0.618,1036 10.799,1037 2.469,1038 6.524,1039 8.128,1041 12.535,1042 6.121,1043 10.283,1044 0.036,1045 12.567,1046 1.372,1047 7.965,1048 9.98,1049 0.008,1050 15.221,1051 7.511,1052 11.706,1053 -0.229,1054 14.363,1055 0.103,1056 8.811,1057 11.127,1059 17.409,1060 8.267,1061 13.147,1062 -0.347,1063 16.181,1064 -0.617,1065 10.068,1066 12.773,1067 0.001,1068 19.942,1069 9.466,1070 3.306,1071 -0.489,1072 18.017,1073 -0.891,1074 11.09,1075 14.12,1077 22.3,1078 10.406,1079 2.79,1080 11.827,1081 19.869,1082 -1.215,1083 12.283,1084 15.686,1086 24.785,1087 11.537,1088 2.63,1089 8.652,1090 21.735,1091 4.675,1092 13.388,1093 17.13,1095 27.211,1096 12.565,1097 2.471,1098 7.678,1099 23.611,1100 3.849,1101 14.564,1102 18.669,1104 29.683,1105 13.675,1106 2.063,1107 7.21,1108 25.498,1109 3.549,1110 15.709,1111 20.16,1113 32.135,1114 14.747,1115 1.879,1116 6.417,1117 27.393,1118 3.419,1119 16.884,1120 21.692,1122 34.604,1123 15.853,1124 1.828,1125 5.527,1126 29.295,1127 2.827,1128 18.05,1129 23.207,1131 37.067,1132 16.947,1133 6122,1134 11982,1135 18.611,1136 24.449,1137 43.123,1138 43.272,1139 43.714,1140 42.588,1141 42.497,1142 58.602,1143 0.8,1144 127.04,1145 39.231,1146 5.52,1147 5.444,1148 6.569,1149 5.335,1150 5.306,1151 7.675,1152 0.8,1153 19.062,1154 5.075,1155 12.467,1156 1.54,1157 1.545,1158 1.561,1159 1.521,1160 1.518,1161 2.093,1162 0.029,1163 4.537,1164 1.401,1165 4.142,1166 4.188,1167 4.131,1168 3.992,1169 8.24,1170 4.02,1171 3.865,1172 3.936,1173 3.814,1174 3.656,1175 8.161,1176 3.686,1177 3.788,1178 3.851,1179 3.764,1180 3.564,1181 5.268,1182 3.607,1183 3.421,1184 3.478,1185 3.407,1186 3.194,1187 5.061,1188 3.236,1189 3.167,1190 3.275,1191 2.991,1192 2.915,1193 4.924,1194 2.921,1195 2.965,1196 3.043,1197 2.894,1198 2.78,1199 4.672,1200 2.793,1201 2.822,1202 2.92,1203 2.728,1204 2.522,1205 4.076,1206 2.56,1207 2.762,1208 2.857,1209 2.66,1210 2.474,1211 4.007,1212 2.511,1213 0.169,1214 0.123,1215 0.248,1216 0.151,1217 0.118,1218 4.724,1219 0.167,1220 3.444,1221 0.014,1222 6.955,1223 0.422,1224 4.235,1225 0.11,1226 3.306,1227 4.675,1228 0.4,1229 11.827,1230 3.075,1231 1.909,1232 1.884,1233 1.955,1234 2.058,1235 1.097,1236 2.022,1237 1.707,1238 1.647,1239 1.804,1240 1.931,1241 0.796,1242 1.897,1243 1.52,1244 1.466,1245 1.663,1246 1.746,1247 0.705,1248 1.711,1249 1.363,1250 1.282,1251 1.525,1252 1.687,1253 0.535,1254 1.652,1255 1.186,1256 1.096,1257 1.422,1258 1.458,1259 0.263,1260 1.471,1261 1.093,1262 0.999,1263 1.258,1264 1.412,1265 0.166,1266 1.38,1267 0.906,1268 0.865,1269 1.049,1270 1.171,1271 0.009,1272 1.124,1273 0.728,1274 0.663,1275 0.924,1276 0.994,1278 0.969,1279 4.043,1281 5.398,1282 3.045,1283 6.93,1284 5.352,1285 8.554,1286 7.424,1287 10.231,1289 1.641,1291 27.332,1293 5.682,1296 2.942,1305 25.013,1306 64.231,1307 146.608,1308 168.608,1309 177.362,1310 179.362,1311 179.362,1312 42.798,1313 7.416,1314 123.22,1315 123.22,1316 22,1317 12.688,1318 4.459,1319 3.524,1320 35.473,1321 73,1322 73,1323 0.232,1324 152.688,1325 245.1,1326 364.319,1327 14799,1328 5.6,1329 17.552,1330 0.702,1331 0.513,1332 15.811,1333 12.826,1334 12.008,1335 0.429,1336 0.255,1337 6.948,1338 11.208,1339 6.863,1340 5.662,1341 11.204,1342 7.139,1343 11.487,1344 0.28,1345 0.126,1346 10.345,1347 5.151,1348 9.41,1349 0.171,1350 0.062,1351 8.482,1352 3.39,1353 8.362,1354 0.107,1355 0.031,1356 7.917,1357 2.391,1358 6.318,1359 0.064,1360 0.015,1361 5.828,1362 1.454,1363 0.346,1364 77.564,1365 0.232,1366 23.534,1367 0.7,1368 138,1369 574.071,1370 163.757,1371 505.221,1372 684.97,1373 470,1374 165,1375 519.428,1376 190.28,1377 506.704,1378 747.15,1379 477,1380 6.31}
{0 CHEMBL176064,1 1.365,2 8.478,3 4.572,4 20.901,5 91.731,6 7.271,7 0.462,8 3.836,9 3.941,10 3.404,11 3.449,12 4.874,13 3.415,14 4.388,15 4.544,16 3.761,17 3.851,18 5.384,19 3.795,20 4.687,21 4.898,22 3.846,23 3.976,24 5.631,25 3.9,26 4.665,27 4.869,28 3.793,29 3.902,30 5.71,31 3.829,32 4.572,33 4.765,34 3.735,35 3.863,36 5.591,37 3.794,38 4.524,39 4.706,40 3.632,41 3.822,42 5.602,43 3.74,44 4.453,45 4.651,46 3.437,47 3.739,48 5.492,49 3.623,50 4.376,51 4.615,52 3.096,53 3.601,54 5.248,55 3.422,56 0.018,57 0.542,58 8.546,59 4.081,60 4.713,61 5.247,62 0.132,63 0.945,64 16.231,65 6.908,66 12.63,67 9.11,68 0.175,69 1.229,70 23.926,71 9.489,72 23.805,73 12.623,74 0.393,75 1.155,76 24.089,77 9.205,78 41.54,79 11.883,80 0.215,81 1.053,82 21.464,83 8.532,84 28.534,85 10.855,86 0.225,87 1.019,88 20.192,89 7.938,90 36.624,91 10.031,92 0.192,93 0.961,94 18.81,95 7.549,96 35.63,97 9.821,98 0.14,99 0.891,100 17.784,101 7.411,102 28.198,103 10.137,104 2,105 36,106 0.238,107 0.537,108 0.661,109 0.767,110 0.817,111 0.817,112 3.19,113 0.946,114 -4.75,115 -4.66,116 -4.38,119 47.6,121 3,125 2,135 1,139 1,142 8,143 3,144 1,157 1,172 13,174 1,175 8,183 15,187 5,195 12,198 2,199 9,207 12,212 8,220 10,224 8,232 10,237 5,245 11,250 2,258 10,271 7,275 696,276 16.052,277 16.052,278 16.052,279 16.052,280 16.052,281 14.337,282 12.482,283 9.684,284 16.234,285 12.881,286 12.881,287 12.881,288 12.881,289 12.881,290 10.246,291 14.834,292 4.62,293 13.199,294 4.027,295 2.316,296 1.607,297 1,298 0.714,299 0.714,300 3.894,304 1,305 1,306 432,307 1.871,311 226.251,315 87.589,318 1.195,319 17.046,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 195,332 4.563,333 3.64,334 6.805,335 4.196,336 3.22,337 4.235,338 1.138,339 11.241,340 3.152,341 4.105,342 3.173,343 6.168,344 3.759,345 2.804,346 3.569,347 0.643,348 9.13,349 2.718,350 3.843,351 3.014,352 5.977,353 3.554,354 2.573,355 3.161,357 8.358,358 2.471,359 3.448,360 2.42,361 5.091,362 3.013,363 2.008,364 2.747,366 5.74,367 2.009,368 3.037,369 2.038,370 4.539,371 2.789,372 1.829,373 2.146,375 4.675,376 1.75,377 2.918,378 1.667,379 4.227,380 2.496,381 1.504,382 2.042,384 3.737,385 1.485,386 2.828,387 1.551,388 3.804,389 2.406,390 1.417,391 1.893,393 3.138,394 1.395,395 2.515,396 1.263,397 3.525,398 2.116,399 1.139,400 1.5,402 2.708,403 1.11,404 2.5,405 1.153,406 3.457,407 2,408 1,409 1.488,411 2.362,412 1,413 2.206,414 1.077,415 3.247,416 1.984,417 1,418 1.138,420 2.136,421 0.983,422 2,423 1,424 3.247,425 1.917,426 0.936,427 1,428 2.136,429 0.911,430 1.427,431 0.607,432 2.788,433 0.946,434 -0.029,435 -0.038,436 -0.076,437 -0.028,438 0.919,439 -0.092,440 2.655,441 0.503,442 -0.491,443 -0.592,445 -1.281,446 -0.481,447 0.775,448 -0.488,449 2.417,450 0.462,451 -0.546,452 -0.748,454 -1.29,455 -0.547,456 0.562,457 -0.52,458 2.211,459 0.21,460 -0.76,461 -0.855,463 -1.88,464 -0.735,465 11.067,466 0.481,467 0.432,468 0.019,469 30,470 1.304,471 15.5,472 0.674,473 14.5,474 0.63,475 17.424,476 0.758,477 23.733,478 0.565,479 20.392,480 0.887,481 5.756,482 0.25,483 5.57,484 0.242,485 0.03,487 0.307,493 0.697,494 1.154,495 0.772,496 1.017,497 0.529,498 0.921,499 0.812,500 1.077,501 0.911,502 1.025,503 0.56,504 0.978,505 1.077,506 0.978,507 0.874,508 0.942,509 0.787,510 0.886,511 1.368,512 0.903,513 0.956,514 0.896,515 0.984,516 0.882,517 1.526,518 0.959,519 0.973,520 0.916,521 1.187,522 0.89,523 1.644,524 1.059,525 1.193,526 1.03,527 1.914,528 1.056,529 1.358,530 1.103,531 1.272,532 1.119,533 1.967,534 1.174,535 0.819,536 1.131,537 1.241,538 1.197,539 1.269,540 1.259,541 3,542 0.016,543 2.444,544 1.313,545 1.08,546 0.903,547 0.487,548 0.196,549 0.061,550 0.023,551 5444,552 11836,553 2.196,554 45.2,555 2,556 13,561 4,564 1.664,565 2.123,566 3.092,567 -0.858,573 57.328,574 1.365,575 3.077,576 3.785,577 4.392,578 4.678,579 4.678,580 2.475,581 3.882,582 4.496,583 3.169,584 801.674,585 7.774,586 8784.54,588 1,591 226.477,592 1.121,593 4.483,594 0.115,595 0.004,596 0.068,597 0.035,598 0.031,599 0.027,600 0.016,601 0.008,602 0.004,603 0.003,604 0.31,605 0.67,606 1,607 0.393,608 105.068,609 0.014,610 -0.1,611 0.071,612 -0.027,613 0.005,614 0.018,615 0.069,616 -0.015,617 -0.005,618 -0.062,619 0.054,620 -0.044,621 -0.011,622 0.028,623 0.106,624 0.021,625 0.053,626 0.073,627 0.122,628 0.073,629 0.066,630 0.067,631 0.113,632 0.06,633 -0.123,634 0.007,635 0.027,636 0.057,637 -0.052,638 0.058,639 -0.225,640 -0.067,641 -0.206,642 -0.069,643 -0.191,644 -0.126,645 -0.212,646 -0.111,647 -0.304,648 -0.155,649 -0.227,650 -0.227,651 -0.109,652 -0.172,653 -0.287,654 -0.214,655 -0.161,656 -0.263,657 1.635,658 5.539,659 0.957,660 16.163,661 0.993,662 1.111,663 3.517,664 12.367,665 0.685,666 3.296,667 3.611,668 3.932,669 4.234,670 4.522,671 4.585,672 4.771,673 4.875,674 4.956,675 4.942,676 5.05,677 0.647,678 305.4,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.358,685 9.252,686 10.151,687 11.05,688 11.952,689 2.4,692 1,704 8,709 4,711 12,716 1,729 1,731 42,733 14,734 2,735 26,737 45,738 20,739 12,740 4,741 8,742 3,746 4,747 5,755 3,758 3,761 15,762 5,766 2,771 1,773 1,775 2,778 1,781 19,782 3,784 3,790 1,794 0.75,795 2,812 4,816 1,831 1,836 1,840 3,848 23,854 5,856 1,859 1,870 4.8,873 1,875 1,877 10.833,878 7.533,879 5.056,880 2.792,881 2.71,882 1.37,883 1.021,884 3.821,885 10.044,886 3.555,887 4.111,888 4.705,889 5.283,890 5.847,891 6.105,892 6.554,893 6.917,894 7.241,895 7.466,896 0.833,897 38,898 8.55,900 3.7,901 7.587,902 16.714,904 14.176,905 2.087,906 48,909 1,910 223.651,911 121.849,912 3.124,914 36.145,917 121.849,918 259.796,919 3.124,921 11.815,922 85.286,923 30.278,924 33.739,926 223.651,928 223.651,929 124.974,930 36.145,933 176.567,934 83.229,937 14.939,938 100.558,939 9.476,941 223.651,942 39.269,943 121.849,946 223.651,947 36.563,948 88.411,950 36.145,951 223.651,952 39.269,953 121.849,955 0.573,956 0.344,957 0.199,958 0.114,959 19,960 7,961 0.044,962 2,963 1,964 1.091,965 3.526,966 195.198,967 0.091,968 22,969 96.042,974 14.376,975 6.113,976 2.739,978 39.269,979 15.854,984 3.37,987 384.77,988 34,993 12.539,995 1.641,997 0.732,999 41.709,1000 46.654,1001 0.253,1002 0.571,1003 0.702,1004 0.815,1005 0.868,1006 0.868,1007 4.787,1008 1.139,1009 5.659,1010 3.138,1011 4.29,1012 4.796,1013 1.418,1014 6.485,1015 4.242,1016 5.967,1017 1,1018 7.217,1019 2.708,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.681,1025 7.262,1026 1,1027 8.884,1028 2.362,1029 5.878,1030 6.925,1031 1.447,1032 10.571,1033 5.776,1034 8.596,1035 0.936,1036 10.619,1037 2.136,1038 6.236,1039 7.449,1040 0.424,1041 12.371,1042 6.103,1043 9.967,1044 -0.029,1045 12.397,1046 2.136,1047 7.779,1048 9.369,1049 1.579,1050 15.027,1051 7.626,1052 11.365,1053 -0.491,1054 14.205,1055 -0.076,1056 8.558,1057 10.325,1058 0.581,1059 17.17,1060 8.378,1061 12.784,1062 -0.546,1063 16.033,1064 -1.281,1065 9.859,1066 11.99,1067 1.743,1068 19.658,1069 9.66,1070 3.22,1071 -0.76,1072 17.875,1073 -1.29,1074 10.837,1075 13.172,1076 0.788,1077 21.948,1078 10.615,1079 2.804,1080 11.241,1081 19.728,1082 -1.88,1083 12.04,1084 14.716,1085 1.924,1086 24.379,1087 11.798,1088 2.573,1089 9.13,1090 21.59,1091 4.235,1092 13.111,1093 16.016,1094 1.027,1095 26.734,1096 12.848,1097 2.008,1098 8.358,1099 23.459,1100 3.569,1101 14.278,1102 17.503,1103 2.115,1104 29.148,1105 13.995,1106 1.829,1107 5.74,1108 25.332,1109 3.161,1110 15.393,1111 18.867,1112 1.284,1113 31.533,1114 15.09,1115 1.504,1116 4.675,1117 27.211,1118 2.747,1119 16.548,1120 20.327,1121 2.314,1122 33.945,1123 16.227,1124 1.417,1125 3.737,1126 29.094,1127 2.146,1128 17.685,1129 21.726,1130 1.553,1131 36.345,1132 17.343,1133 5114,1134 7674,1135 18.087,1136 28.767,1137 39.395,1138 40.296,1139 39.289,1140 38.882,1141 38.858,1142 49.839,1143 3.561,1144 110.718,1145 37.97,1146 5.563,1147 5.64,1148 6.607,1149 5.301,1150 5.22,1151 7.235,1152 2.22,1153 18.616,1154 5.152,1155 5.635,1156 1.515,1157 1.55,1158 1.511,1159 1.495,1160 1.495,1161 1.917,1162 0.137,1163 4.258,1164 1.46,1165 4.052,1166 4.067,1167 4.013,1168 3.985,1169 7.428,1170 3.988,1171 3.855,1172 3.906,1173 3.77,1174 3.746,1175 4.901,1176 3.747,1177 3.767,1178 3.802,1179 3.661,1180 3.662,1181 4.692,1182 3.653,1183 3.446,1184 3.477,1185 3.359,1186 3.328,1187 4.433,1188 3.332,1189 3.111,1190 3.206,1191 2.985,1192 2.941,1193 4.177,1194 2.915,1195 3.063,1196 3.109,1197 2.866,1198 2.911,1199 3.752,1200 2.91,1201 2.932,1202 2.991,1203 2.798,1204 2.765,1205 3.674,1206 2.767,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.567,1212 2.715,1213 0.175,1214 0.14,1215 0.262,1216 0.161,1217 0.124,1218 4.563,1219 0.163,1220 3.64,1221 0.044,1222 6.805,1223 0.432,1224 4.196,1225 0.121,1226 3.22,1227 4.235,1228 1.138,1229 11.241,1230 3.152,1231 2.006,1232 1.993,1233 2.091,1234 2.093,1235 1.398,1236 2.09,1237 1.839,1238 1.797,1239 2.041,1240 1.996,1241 1.207,1242 2.014,1243 1.766,1244 1.723,1245 1.903,1246 1.875,1247 0.973,1248 1.886,1249 1.418,1250 1.39,1251 1.565,1252 1.571,1253 0.825,1254 1.573,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.702,1260 1.429,1261 1.015,1262 0.974,1263 1.282,1264 1.248,1265 0.463,1266 1.257,1267 0.93,1268 0.86,1269 1.181,1270 1.103,1271 0.28,1272 1.125,1273 0.886,1274 0.821,1275 1.169,1276 1.062,1277 0.218,1278 1.107,1279 3.97,1281 5.283,1283 6.821,1285 8.459,1287 10.149,1295 5.484,1297 6.194,1300 2.187,1305 27.192,1306 57.328,1307 129.219,1308 158.968,1309 184.477,1310 196.477,1311 196.477,1312 31.895,1313 7.334,1314 33.45,1315 33.45,1316 24,1317 12.473,1318 3.907,1319 3.17,1320 31.605,1321 68,1322 70,1323 0.228,1324 164.411,1325 290.78,1326 392.924,1327 14250,1329 15.648,1330 0.68,1331 0.565,1332 15.648,1333 12.995,1334 11.326,1335 0.436,1336 0.315,1337 8.13,1338 11.048,1339 7.982,1340 6.597,1341 11.326,1342 8.2,1343 9.927,1344 0.276,1345 0.168,1346 9.927,1347 6.045,1348 8.727,1349 0.175,1350 0.09,1351 8.727,1352 4.494,1353 7.627,1354 0.112,1355 0.048,1356 7.627,1357 3.28,1358 6.528,1359 0.072,1360 0.026,1361 6.528,1362 2.384,1363 0.343,1364 69.928,1365 0.235,1366 22.063,1367 0.672,1368 124,1369 321.116,1370 132.836,1371 311.635,1372 437.17,1373 294,1374 148,1375 331.726,1376 157.808,1377 334.838,1378 496.69,1379 318,1380 4}
{0 CHEMBL1762242,1 1.631,2 11.704,3 2.714,4 7.366,5 98.066,6 8.381,7 0.567,8 3.891,9 3.991,10 3.561,11 3.447,12 5.108,13 3.46,14 4.377,15 4.517,16 3.929,17 3.801,18 5.611,19 3.807,20 4.587,21 4.749,22 3.95,23 3.867,24 5.854,25 3.858,26 4.596,27 4.783,28 3.854,29 3.764,30 5.905,31 3.754,32 4.46,33 4.638,34 3.731,35 3.671,36 5.745,37 3.653,38 4.398,39 4.589,40 3.649,41 3.602,42 5.635,43 3.582,44 4.274,45 4.449,46 3.531,47 3.524,48 5.474,49 3.5,50 4.213,51 4.383,52 3.457,53 3.45,54 5.587,55 3.41,56 0.074,57 0.641,58 6.662,59 3.514,60 7.146,61 3.98,62 0.282,63 1.02,64 12.851,65 5.684,66 18.012,67 6.746,68 0.522,69 1.178,70 18.114,71 6.865,72 45.143,73 7.981,74 0.496,75 1.149,76 19.972,77 6.955,78 62.195,79 8.179,80 0.53,81 0.979,82 17.345,83 6.257,84 52.652,85 7.288,86 0.41,87 0.908,88 17.014,89 6.244,90 47.062,91 7.372,92 0.32,93 0.794,94 14.477,95 5.614,96 42.908,97 6.389,98 0.496,99 0.767,100 13.394,101 5.077,102 60.534,103 5.846,104 10,105 42,106 0.279,107 0.621,108 0.761,109 0.882,110 0.901,111 0.901,112 3.34,113 0.838,114 -3.7,115 -3.66,116 -3.49,119 46.5,120 1,125 1,142 9,143 1,144 1,146 1,147 1,152 2,158 3,172 7,174 2,175 9,178 2,180 1,183 6,186 2,187 7,190 1,192 2,195 3,198 2,199 8,204 3,207 1,211 3,212 8,220 2,223 1,224 7,227 1,232 4,237 4,245 6,249 3,250 3,253 2,255 1,258 5,263 2,268 1,271 1,275 1092,276 18.309,277 18.309,278 18.309,279 18.309,280 18.309,281 15.898,282 23.613,283 10.777,284 18.548,285 14.816,286 14.816,287 14.816,288 14.816,289 14.816,290 11.088,291 33.181,292 5.146,293 15.18,294 3.795,295 1.799,296 0.978,297 0.268,298 0.157,299 0.157,300 4.037,303 1,304 1,305 1,306 693,307 3,310 73.059,311 243.388,315 126.661,318 1.885,319 31.261,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59,331 316,332 4.434,333 3.745,334 6.63,335 4.099,336 3.119,337 4.018,338 1.285,339 10.521,340 3.055,341 4.266,342 3.578,343 6.111,344 3.902,345 2.906,346 3.867,347 1.058,348 8.962,349 2.896,350 4.031,351 2.827,352 5.722,353 3.594,354 2.636,355 3.641,356 0.78,357 7.774,358 2.521,359 3.703,360 2.731,361 5.5,362 3.392,363 2.422,364 2.968,365 0.489,366 7.358,367 2.348,368 3.505,369 2.699,370 5.188,371 3.129,372 2.141,373 2.773,375 6.277,376 2.106,377 3.246,378 2.305,379 4.758,380 2.864,381 1.886,382 2.479,384 5.274,385 1.836,386 3.181,387 2.139,388 4.667,389 2.688,390 1.727,391 2.345,393 4.779,394 1.651,395 2.857,396 1.767,397 3.945,398 2.417,399 1.425,400 1.985,402 3.155,403 1.411,404 2.685,405 1.519,406 3.658,407 2.217,408 1.228,409 1.759,411 2.973,412 1.211,413 2.586,414 1.317,415 3.487,416 2.086,417 1.085,418 1.547,420 2.544,421 1.079,422 2.474,423 1.239,424 3.472,425 1.882,426 0.879,427 1.347,428 2.078,429 0.875,430 2.17,431 0.99,432 3.273,433 1.672,434 0.671,435 0.993,436 1.656,437 0.671,438 1.878,439 0.727,440 3.064,441 1.299,442 0.316,443 0.449,445 0.796,446 0.307,447 1.186,448 0.448,449 2.669,450 0.784,451 -0.208,452 -0.272,454 -0.521,455 -0.204,456 0.988,457 0.055,458 2.414,459 0.613,460 -0.375,461 -0.463,463 -0.94,464 -0.365,465 12.6,466 0.467,467 0.661,468 0.024,469 39.75,470 1.472,471 21.5,472 0.796,473 18.25,474 0.676,475 17.435,476 0.646,477 27.6,478 0.642,479 29.365,480 1.088,481 8.123,482 0.301,483 4.975,484 0.184,485 0.093,487 0.349,493 0.741,494 1.316,495 0.664,496 1.039,497 0.567,498 0.869,499 0.722,500 1.088,501 0.75,502 0.997,503 0.587,504 0.898,505 1.094,506 1.128,507 1.035,508 1.024,509 0.973,510 1.013,511 1.319,512 1.121,513 1.073,514 1.04,515 1.392,516 1.006,517 1.218,518 0.906,519 1.072,520 0.955,521 1.259,522 0.972,523 1.282,524 0.852,525 0.975,526 0.91,527 1.389,528 0.889,529 1.413,530 0.951,531 1.05,532 0.972,533 1.358,534 0.952,535 1.132,536 0.801,537 1.17,538 0.95,539 0.814,540 1.062,541 5.5,542 0.103,543 2.889,544 1.972,545 1.659,546 0.573,547 0.567,548 0.265,549 0.241,550 0.157,551 9863,552 28317,553 2.12,554 37.2,556 11,558 1,559 1,560 3,564 1.696,565 2,566 3.52,567 -0.309,568 1,569 1,573 70.136,574 1.631,575 3.627,576 4.449,577 5.159,578 5.269,579 5.269,580 2.967,581 4.755,582 4.728,583 3.695,584 1296.92,585 8.181,586 17057,588 1,590 1,591 233.329,592 1.352,593 4.694,594 0.183,595 0.005,596 0.069,597 0.048,598 0.046,599 0.018,600 0.019,601 0.01,602 0.01,603 0.008,604 0.417,605 0.33,606 1,607 0.528,608 135.578,609 -0.058,610 -0.22,611 0.049,612 -0.087,613 -0.065,614 -0.014,615 0.117,616 -0.005,617 0.074,618 -0.06,619 0.04,620 -0.018,621 0.004,622 -0.098,623 -0.106,624 -0.086,625 -0.029,626 -0.112,627 -0.113,628 -0.124,629 -0.064,630 -0.1,631 -0.053,632 -0.075,633 0.015,634 0.073,635 -0.073,636 0.004,637 -0.04,638 -0.035,639 -0.087,640 0.089,641 0.053,642 0.075,643 -0.113,644 0.09,645 -0.218,646 -0.028,647 -0.055,648 0.026,649 -0.178,650 0.022,651 0.116,652 0.169,653 -0.184,654 0.018,655 0.221,656 -0.128,657 2.066,658 5.54,659 0.778,660 25.605,661 1.016,662 1.119,663 2.466,664 6.081,665 0.697,666 3.434,667 3.761,668 4.025,669 4.277,670 4.454,671 4.477,672 4.564,673 4.7,674 4.779,675 4.804,676 6.954,677 0.684,678 360.4,679 3.434,680 4.977,681 5.826,682 6.701,683 7.563,684 8.44,685 9.307,686 10.185,687 11.055,688 11.934,689 9.3,696 2,698 1,699 1,704 9,705 1,707 1,709 6,711 17,718 1,719 1,731 43,733 20,734 1,735 30,737 46,738 20,739 15,740 2,741 4,742 3,746 4,747 5,752 1,761 18,762 2,766 3,771 2,773 1,774 1,775 2,777 1,778 1,780 1,781 16,782 7,783 1,784 7,790 4,791 1,794 0.75,795 3,805 1,811 1,812 3,816 1,840 3,844 1,848 27,854 1,855 1,859 1,870 7,873 2,875 1,877 13.5,878 8.183,879 5.861,880 2.454,881 3.574,882 1.471,883 1.009,884 4.57,885 11.159,886 3.75,887 4.334,888 4.897,889 5.436,890 5.852,891 5.998,892 6.253,893 6.629,894 6.948,895 7.194,896 0.875,897 41,898 9.976,900 4.313,901 7.901,902 18.576,904 15.035,905 2.401,906 64.833,909 1,910 176.567,911 136.17,912 54.706,914 59.797,917 136.17,918 236.364,919 54.706,920 8.825,921 23.241,922 85.286,923 96.874,924 34.992,925 13.226,926 164.795,928 176.567,929 190.876,930 59.797,933 176.567,934 59.797,937 51.608,938 122.482,939 16.786,941 176.567,942 114.503,943 136.17,946 176.567,947 33.44,948 105.854,949 18.011,950 93.368,951 176.567,952 114.503,953 136.17,955 0.584,956 0.341,957 0.184,958 0.095,959 21,960 9,961 0.087,962 4,963 1,964 1.095,965 3.985,966 228.473,967 0.095,968 21,969 126.382,974 17.194,975 7.177,976 3.664,978 114.503,979 15.743,980 4.226,982 5.592,984 3.064,986 18.011,987 427.24,988 41.5,993 24.847,995 1.476,996 4.278,997 -0.56,999 43.691,1000 48.113,1001 0.301,1002 0.668,1003 0.82,1004 0.951,1005 0.971,1006 0.971,1007 4.978,1008 1.425,1009 5.808,1010 4.779,1011 4.443,1012 5.021,1013 2.092,1014 6.603,1015 4.398,1016 6.185,1017 1.228,1018 7.357,1019 3.155,1020 4.007,1021 4.718,1022 0.325,1023 7.441,1024 3.951,1025 7.482,1026 1.085,1027 9.003,1028 2.973,1029 6.023,1030 7.164,1031 2.201,1032 10.537,1033 5.933,1034 8.812,1035 0.879,1036 10.705,1037 2.544,1038 6.399,1039 7.676,1040 0.844,1041 12.198,1042 6.305,1043 10.172,1044 0.671,1045 12.445,1046 2.078,1047 7.877,1048 9.565,1049 2.415,1050 14.805,1051 7.75,1052 11.553,1053 0.316,1054 14.21,1055 1.656,1056 8.631,1057 10.473,1058 1.412,1059 16.822,1060 8.502,1061 12.95,1062 -0.208,1063 15.995,1064 0.796,1065 9.888,1066 12.11,1067 2.694,1068 19.257,1069 9.732,1070 3.119,1071 -0.375,1072 17.794,1073 -0.521,1074 10.826,1075 13.227,1076 1.981,1077 21.441,1078 10.665,1079 2.906,1080 10.521,1081 19.605,1082 -0.94,1083 11.992,1084 14.738,1085 3.024,1086 23.812,1087 11.809,1088 2.636,1089 8.962,1090 21.426,1091 4.018,1092 13.019,1093 15.966,1094 2.539,1095 26.076,1096 12.826,1097 2.422,1098 7.774,1099 23.255,1100 3.867,1101 14.149,1102 17.412,1103 3.393,1104 28.426,1105 13.937,1106 2.141,1107 7.358,1108 25.092,1109 3.641,1110 15.22,1111 18.702,1112 3.087,1113 30.729,1114 14.995,1115 1.886,1116 6.277,1117 26.934,1118 2.968,1119 16.338,1120 20.113,1121 3.794,1122 33.074,1123 16.095,1124 1.727,1125 5.274,1126 28.782,1127 2.773,1128 17.431,1129 21.438,1130 3.624,1131 35.398,1132 17.174,1133 9246,1134 15830,1135 20.285,1136 29.955,1137 46.065,1138 47.231,1139 46.15,1140 44.917,1141 44.881,1142 60.34,1143 7.223,1144 128.294,1145 43.935,1146 5.316,1147 5.745,1148 6.314,1149 5.171,1150 5.119,1151 7.018,1152 2.412,1153 17.744,1154 5.055,1155 11.569,1156 1.536,1157 1.574,1158 1.538,1159 1.497,1160 1.496,1161 2.011,1162 0.241,1163 4.276,1164 1.465,1165 4.023,1166 4.048,1167 3.984,1168 3.903,1169 7.431,1170 3.915,1171 3.926,1172 3.955,1173 3.886,1174 3.801,1175 7.426,1176 3.818,1177 3.853,1178 3.877,1179 3.798,1180 3.732,1181 5.019,1182 3.744,1183 3.483,1184 3.534,1185 3.411,1186 3.281,1187 4.877,1188 3.308,1189 3.294,1190 3.35,1191 3.217,1192 3.087,1193 4.84,1194 3.103,1195 3.12,1196 3.19,1197 2.983,1198 2.941,1199 4.398,1200 2.94,1201 3.043,1202 3.083,1203 2.94,1204 2.856,1205 3.978,1206 2.872,1207 2.893,1208 2.965,1209 2.745,1210 2.717,1211 3.894,1212 2.715,1213 0.148,1214 0.125,1215 0.221,1216 0.137,1217 0.104,1218 4.434,1219 0.134,1220 3.745,1221 0.043,1222 6.63,1223 0.351,1224 4.099,1225 0.102,1226 3.119,1227 4.018,1228 1.285,1229 10.521,1230 3.055,1231 1.936,1232 1.91,1233 2.023,1234 2.056,1235 1.117,1236 2.044,1237 1.851,1238 1.812,1239 1.971,1240 1.999,1241 1.013,1242 1.99,1243 1.592,1244 1.553,1245 1.75,1246 1.766,1247 0.935,1248 1.756,1249 1.505,1250 1.493,1251 1.618,1252 1.708,1253 0.669,1254 1.681,1255 1.264,1256 1.222,1257 1.533,1258 1.476,1259 0.595,1260 1.478,1261 1.195,1262 1.126,1263 1.377,1264 1.416,1265 0.353,1266 1.436,1267 0.973,1268 0.929,1269 1.19,1270 1.214,1271 0.215,1272 1.208,1273 0.928,1274 0.863,1275 1.165,1276 1.183,1277 0.199,1278 1.165,1279 4.111,1281 5.434,1282 2.398,1283 6.946,1284 4.595,1285 8.545,1286 6.581,1287 10.189,1289 1.843,1295 0.187,1296 2.687,1300 1.449,1305 29.391,1306 70.136,1307 155.971,1308 191.29,1309 221.82,1310 226.574,1311 226.574,1312 45.834,1313 7.585,1314 90.02,1315 90.02,1316 23,1317 12.472,1318 4.392,1319 3.644,1320 40.446,1321 114,1322 98,1323 0.173,1324 180.008,1325 313.75,1326 430.98,1327 22259,1329 18.803,1330 0.696,1331 0.539,1332 18.803,1333 14.547,1334 13.097,1335 0.437,1336 0.279,1337 8.249,1338 12.558,1339 8.061,1340 6.69,1341 13.097,1342 8.379,1343 11.931,1344 0.284,1345 0.145,1346 11.931,1347 6.079,1348 10.068,1349 0.183,1350 0.074,1351 10.068,1352 4.073,1353 8.425,1354 0.119,1355 0.039,1356 8.425,1357 2.762,1358 6.48,1359 0.076,1360 0.02,1361 6.48,1362 1.741,1363 0.276,1364 82.401,1365 0.222,1366 26.269,1367 0.459,1368 144,1369 470.475,1370 160.99,1371 451.761,1372 617.14,1373 422,1374 169,1375 459.25,1376 186.685,1377 461.556,1378 674.27,1379 434,1380 4.553}
{0 CHEMBL1762243,1 1.597,2 10.25,3 2.033,4 4.133,5 91.715,6 8.01,7 0.654,8 3.801,9 3.936,10 3.415,11 3.335,12 5.054,13 3.339,14 4.235,15 4.398,16 3.769,17 3.681,18 5.511,19 3.662,20 4.442,21 4.631,22 3.816,23 3.765,24 5.665,25 3.748,26 4.486,27 4.69,28 3.782,29 3.681,30 5.887,31 3.649,32 4.47,33 4.713,34 3.516,35 3.533,36 5.682,37 3.497,38 4.247,39 4.483,40 3.459,41 3.4,42 5.535,43 3.354,44 4.197,45 4.437,46 3.326,47 3.355,48 5.397,49 3.313,50 4.207,51 4.476,52 3.299,53 3.338,54 5.349,55 3.27,56 0.075,57 0.651,58 7.141,59 2.908,60 12.855,61 3.731,62 0.236,63 0.964,64 12.098,65 5.202,66 22.249,67 6.868,68 0.209,69 1.118,70 16.111,71 5.456,72 31.184,73 7.365,74 0.421,75 1.11,76 17.746,77 5.879,78 62.74,79 8.116,80 0.434,81 1.021,82 19.644,83 4.749,84 62.901,85 6.554,86 0.31,87 0.856,88 14.974,89 4.54,90 44.925,91 6.641,92 0.251,93 0.823,94 14.031,95 3.656,96 36.585,97 5.278,98 0.244,99 0.761,100 15.695,101 4.93,102 35.136,103 7.183,104 17,105 36,106 0.279,107 0.632,108 0.736,109 0.858,110 0.893,111 0.893,112 3.228,113 0.84,114 -4.38,115 -4.31,116 -4.07,119 42.5,120 1,142 8,143 2,144 1,146 2,150 1,158 1,159 1,163 2,164 2,165 2,172 8,174 3,175 5,177 1,178 3,179 1,180 3,182 1,183 9,185 2,187 4,192 3,195 5,197 2,198 1,199 10,201 4,202 6,203 1,204 4,206 1,207 2,209 2,212 5,217 2,220 1,222 1,223 2,224 5,226 1,227 1,228 1,229 8,231 2,234 5,235 1,237 3,242 5,247 3,250 7,252 2,253 2,255 2,258 3,260 1,263 4,271 5,275 760,276 15.999,277 15.999,278 15.999,279 15.999,280 15.999,281 13.532,282 15.137,283 9.484,284 16.273,285 12.833,286 12.833,287 12.833,288 12.833,289 12.833,290 9.207,291 18.507,292 4.502,293 13.287,294 3.725,295 1.709,296 1.119,297 0.419,298 0.219,299 0.219,300 3.907,303 1,304 1,305 1,306 527,307 3.317,311 214.789,315 111.441,318 1.5,319 24.743,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52,331 246,332 4.526,333 3.608,334 6.486,335 4.03,336 3.062,337 4.469,338 1.283,339 10.107,340 2.969,341 4.32,342 3.151,343 6.394,344 3.959,345 2.964,346 3.921,347 0.953,348 9.662,349 2.946,350 3.9,351 2.877,352 5.464,353 3.406,354 2.485,355 3.331,356 0.126,357 7.28,358 2.285,359 3.485,360 2.57,361 5.063,362 3.056,363 2.099,364 2.851,366 5.907,367 2.006,368 3.423,369 2.155,370 5.04,371 2.967,372 2.003,373 2.737,375 5.785,376 1.929,377 3.199,378 2.117,379 4.591,380 2.703,381 1.741,382 2.401,384 4.61,385 1.659,386 2.877,387 1.467,388 3.802,389 2.403,390 1.414,391 2.052,393 3.085,394 1.397,395 2.86,396 1.413,397 3.695,398 2.381,399 1.396,400 2.012,402 3.024,403 1.373,404 2.542,405 1.306,406 3.582,407 2.03,408 1.032,409 1.498,411 2.564,412 1.025,413 2.431,414 1.098,415 3.546,416 1.968,417 0.974,418 1.391,420 2.385,421 0.965,422 1.378,423 0.587,424 2.861,425 0.939,430 1.115,431 0.115,432 2.656,433 0.755,434 -0.202,435 -0.247,436 -0.462,437 -0.192,438 1.09,439 -0.012,440 2.378,441 0.636,442 -0.324,443 -0.415,445 -0.809,446 -0.308,447 0.909,448 -0.084,449 2,450 0.426,451 -0.556,452 -0.695,454 -1.326,455 -0.541,456 0.638,457 -0.565,458 2,459 0.26,460 -0.701,461 -0.986,463 -1.746,464 -0.667,465 11.233,466 0.468,467 0.63,468 0.026,469 35.75,470 1.49,471 20,472 0.833,473 15.75,474 0.656,475 15.087,476 0.629,477 24.767,478 0.619,479 25.927,480 1.08,481 7.292,482 0.304,483 4.249,484 0.177,485 0.145,487 0.356,493 0.951,494 1.191,495 0.776,496 0.891,497 0.9,498 0.803,499 0.378,500 0.933,501 0.68,502 0.993,503 0.492,504 0.914,505 1.191,506 1.259,507 0.964,508 1.044,509 1.052,510 0.97,511 0.865,512 1.157,513 0.988,514 1.184,515 0.891,516 1.128,517 1.985,518 1.015,519 1.327,520 0.831,521 1.881,522 0.94,523 0.844,524 1.169,525 0.916,526 1.028,527 0.783,528 0.99,529 1.448,530 1.069,531 1.238,532 0.935,533 1.27,534 1,535 0.866,536 0.774,537 0.77,538 0.796,539 0.821,540 0.766,541 5,542 0.112,543 2.667,544 2.25,545 1.209,546 0.806,547 0.366,548 0.29,549 0.197,550 0.197,551 6538,552 18462,553 2.04,554 40,556 8,559 5,560 3,564 1.666,565 1.895,566 3.321,567 2.661,568 1,569 1,571 1,573 63.88,574 1.597,575 3.613,576 4.203,577 4.903,578 5.103,579 5.103,580 2.721,581 4.085,582 4.562,583 3.478,584 959.936,585 7.854,586 11467.5,587 1,588 1,590 1,591 212.877,592 1.459,593 4.507,594 0.192,595 0.007,596 0.074,597 0.061,598 0.037,599 0.032,600 0.015,601 0.014,602 0.009,603 0.01,604 0.451,605 0.17,606 1,607 0.622,608 114.849,609 -0.181,610 -0.015,611 -0.004,612 0.085,613 -0.225,614 0.08,615 0.412,616 0.168,617 0.156,618 0.002,619 0.172,620 0.018,621 -0.193,622 -0.196,623 -0.062,624 -0.094,625 -0.126,626 -0.057,627 0.325,628 -0.134,629 -0.026,630 -0.257,631 0.315,632 -0.219,633 -0.501,634 -0.025,635 -0.274,636 0.041,637 -0.396,638 -0.054,639 0.213,640 -0.184,641 0.089,642 -0.098,643 0.226,644 -0.043,645 -0.357,646 -0.022,647 -0.249,648 -0.057,649 -0.27,650 -0.106,651 0.095,652 0.121,653 0.29,654 0.19,655 0.137,656 0.265,657 2.105,658 5.153,659 0.667,660 18.528,661 1.009,662 1.132,663 3.15,664 9.923,665 0.682,666 3.296,667 3.611,668 3.85,669 4.094,670 4.234,671 4.22,672 4.22,673 4.29,674 4.29,675 4.248,676 6.124,677 0.662,678 320.39,679 3.296,680 4.828,681 5.666,682 6.538,683 7.388,684 8.263,685 9.117,686 9.993,687 10.849,688 11.726,689 15,690 1,693 1,696 1,698 1,699 2,703 2,704 8,705 2,709 4,711 17,718 1,722 1,731 40,733 19,734 2,735 26,737 42,738 17,739 14,740 4,741 8,742 2,746 3,747 4,750 1,752 1,761 16,762 1,766 2,771 1,774 1,775 2,777 1,778 1,781 16,782 7,783 5,784 7,790 6,794 0.667,795 1,806 1,812 3,816 1,833 1,840 2,844 1,848 24,849 2,855 1,870 2.5,873 1,877 12.667,878 7.35,879 5.278,880 2.133,881 3.833,882 1.554,883 1.011,884 4.404,885 10.747,886 3.624,887 4.263,888 4.858,889 5.46,890 5.991,891 6.241,892 6.598,893 6.95,894 7.266,895 7.324,896 0.857,897 37,898 8.796,900 3.706,901 7.91,902 16.303,904 12.869,905 2.41,906 57.833,910 129.482,911 106.554,912 134.162,914 25.145,917 106.554,918 154.627,919 134.162,920 8.825,921 50.908,922 108.707,923 63.421,924 30.202,925 3.798,926 129.482,928 129.482,929 240.716,930 25.145,933 129.482,934 25.145,937 83.319,938 123.826,939 33.571,941 129.482,942 159.307,943 106.554,946 129.482,947 21.919,948 84.635,949 18.011,950 141.296,951 129.482,952 159.307,953 106.554,955 0.581,956 0.339,957 0.187,958 0.093,959 17,960 8,961 0.071,962 3,963 1,964 1.125,965 3.614,966 189.091,967 0.125,968 16,969 108.039,974 15.904,975 6.646,976 3.525,977 1.7,978 159.307,979 14.298,980 8.603,984 1.655,986 83.805,987 395.343,988 36.5,993 12.153,996 4.065,997 -0.537,999 40.356,1000 45.275,1001 0.3,1002 0.679,1003 0.79,1004 0.921,1005 0.959,1006 0.959,1007 4.838,1008 1.396,1009 5.652,1010 3.085,1011 4.29,1012 4.949,1013 1.744,1014 6.447,1015 4.225,1016 6.069,1017 1.032,1018 7.204,1019 3.024,1020 3.892,1021 4.783,1022 0.623,1023 7.31,1024 3.794,1025 7.384,1026 0.974,1027 8.856,1028 2.564,1029 5.866,1030 7.206,1031 1.9,1032 10.408,1033 5.74,1034 8.734,1036 10.567,1037 2.385,1038 6.256,1039 7.849,1040 1.104,1041 12.09,1042 6.111,1043 10.114,1044 -0.202,1045 12.315,1047 7.724,1048 9.755,1049 2.148,1050 14.698,1051 7.554,1052 11.516,1053 -0.324,1054 14.089,1055 -0.462,1056 8.491,1057 10.809,1058 1.592,1059 16.727,1060 8.31,1061 12.935,1062 -0.556,1063 15.883,1064 -0.809,1065 9.747,1066 12.482,1067 2.46,1068 19.151,1069 9.543,1070 3.062,1071 -0.701,1072 17.691,1073 -1.326,1074 10.694,1075 13.749,1076 2.097,1077 21.329,1078 10.479,1079 2.964,1080 10.107,1081 19.51,1082 -1.746,1083 11.859,1084 15.314,1085 2.824,1086 23.68,1087 11.624,1088 2.485,1089 9.662,1090 21.338,1091 4.469,1092 12.89,1093 16.69,1094 2.612,1095 25.924,1096 12.642,1097 2.099,1098 7.28,1099 23.173,1100 3.921,1101 14.018,1102 18.208,1103 3.226,1104 28.244,1105 13.75,1106 2.003,1107 5.907,1108 25.013,1109 3.331,1110 15.088,1111 19.638,1112 3.13,1113 30.517,1114 14.805,1115 1.741,1116 5.785,1117 26.857,1118 2.851,1119 16.201,1120 21.136,1121 3.656,1122 32.825,1123 15.898,1124 1.414,1125 4.61,1126 28.705,1127 2.737,1128 17.29,1129 22.594,1130 3.648,1131 35.112,1132 16.969,1133 6330,1134 10776,1135 17.107,1136 27.296,1137 39.048,1138 39.639,1139 40.122,1140 38.42,1141 38.34,1142 53.325,1143 4.723,1144 108.822,1145 37.106,1146 5.345,1147 5.608,1148 6.171,1149 5.101,1150 5.062,1151 7.469,1152 2.394,1153 16.997,1154 4.969,1155 12.043,1156 1.502,1157 1.525,1158 1.543,1159 1.478,1160 1.475,1161 2.051,1162 0.182,1163 4.185,1164 1.427,1165 4.066,1166 4.101,1167 4.033,1168 3.976,1169 7.429,1170 3.985,1171 3.932,1172 3.961,1173 3.882,1174 3.855,1175 5.197,1176 3.856,1177 3.59,1178 3.661,1179 3.537,1180 3.365,1181 5.093,1182 3.398,1183 3.403,1184 3.467,1185 3.31,1186 3.218,1187 4.985,1188 3.235,1189 3.187,1190 3.24,1191 3.098,1192 2.987,1193 4.504,1194 3.008,1195 3.051,1196 3.155,1197 2.923,1198 2.831,1199 4.492,1200 2.844,1201 3.016,1202 3.099,1203 2.875,1204 2.8,1205 4.138,1206 2.805,1207 2.801,1208 2.888,1209 2.579,1210 2.634,1211 3.953,1212 2.608,1213 0.174,1214 0.139,1215 0.249,1216 0.155,1217 0.118,1218 4.526,1219 0.172,1220 3.608,1221 0.049,1222 6.486,1223 0.389,1224 4.03,1225 0.114,1226 3.062,1227 4.469,1228 1.283,1229 10.107,1230 2.969,1231 2.016,1232 1.989,1233 2.093,1234 2.123,1235 1.195,1236 2.113,1237 1.905,1238 1.88,1239 2.007,1240 2.009,1241 1.075,1242 2.009,1243 1.487,1244 1.425,1245 1.67,1246 1.75,1247 0.716,1248 1.715,1249 1.362,1250 1.297,1251 1.554,1252 1.581,1253 0.408,1254 1.6,1255 1.112,1256 1.063,1257 1.294,1258 1.361,1259 0.269,1260 1.343,1261 0.998,1262 0.914,1263 1.265,1264 1.316,1265 0.206,1266 1.315,1267 0.951,1268 0.883,1269 1.188,1270 1.247,1271 0.19,1272 1.232,1273 0.831,1274 0.748,1275 1.141,1276 1.034,1277 0.112,1278 1.075,1279 3.97,1281 5.283,1283 6.795,1285 8.4,1287 10.052,1289 1.864,1293 11.551,1296 2.482,1305 26.477,1306 63.88,1307 144.513,1308 168.122,1309 196.122,1310 204.122,1311 204.122,1312 38.251,1313 6.915,1314 119.28,1315 119.28,1316 18,1317 12.269,1318 4.322,1319 3.524,1320 39.423,1321 90,1322 72,1323 0.216,1324 167.148,1325 281.27,1326 399.601,1327 9118,1329 17.104,1330 0.713,1331 0.543,1332 17.104,1333 13.023,1334 11.542,1335 0.444,1336 0.28,1337 7.183,1338 11.149,1339 6.997,1340 5.859,1341 11.542,1342 7.278,1343 10.503,1344 0.292,1345 0.143,1346 10.503,1347 5.165,1348 8.459,1349 0.184,1350 0.075,1351 8.459,1352 3.449,1353 7.361,1354 0.125,1355 0.039,1356 7.361,1357 2.293,1358 5.275,1359 0.078,1360 0.02,1361 5.275,1362 1.383,1363 0.341,1364 72.038,1365 0.242,1366 23.567,1367 0.583,1368 124,1369 373.628,1370 136.816,1371 372.335,1372 512.11,1373 346,1374 144,1375 386.031,1376 155.652,1377 393.6,1378 571.88,1379 370,1380 4.638}
{0 CHEMBL1762244,1 1.519,2 11.12,3 3.931,4 15.45,5 97.682,6 7.89,7 0.75,8 3.859,9 3.961,10 3.485,11 3.438,12 5.031,13 3.434,14 4.334,15 4.469,16 3.83,17 3.792,18 5.467,19 3.78,20 4.519,21 4.697,22 3.847,23 3.866,24 5.622,25 3.833,26 4.47,27 4.651,28 3.767,29 3.843,30 5.594,31 3.784,32 4.52,33 4.736,34 3.664,35 3.817,36 5.556,37 3.728,38 4.462,39 4.682,40 3.562,41 3.721,42 5.441,43 3.632,44 4.338,45 4.556,46 3.439,47 3.578,48 5.37,49 3.495,50 4.211,51 4.446,52 3.217,53 3.412,54 5.19,55 3.319,56 0.03,57 0.587,58 7.567,59 3.635,60 8.26,61 4.34,62 0.106,63 0.915,64 13.792,65 5.993,66 15.4,67 7.214,68 0.302,69 1.106,70 18.578,71 6.922,72 27.696,73 8.541,74 0.168,75 1.115,76 16.468,77 6.635,78 24.597,79 8.616,80 0.246,81 1.1,82 19.125,83 7.517,84 30.676,85 10.173,86 0.203,87 1,88 18.766,89 7.467,90 25.723,91 9.817,92 0.213,93 0.912,94 16.253,95 6.037,96 25.972,97 8.003,98 0.189,99 0.803,100 14.825,101 5.189,102 24.154,103 6.893,104 7,105 39,106 0.261,107 0.62,108 0.776,109 0.891,110 0.891,111 0.891,112 3.267,113 0.865,114 -3.13,115 -3.13,116 -3.01,119 47.6,120 1,125 1,142 8,143 2,144 3,146 2,151 1,152 1,155 1,163 1,164 1,165 1,172 5,175 11,180 2,183 6,185 2,186 1,187 7,192 2,195 5,197 2,198 1,199 3,201 1,202 1,204 3,207 7,209 3,211 1,212 3,214 1,215 1,217 1,220 9,222 1,224 4,226 1,227 1,232 5,236 1,237 7,242 1,245 4,247 1,250 1,258 2,262 1,263 2,265 1,266 1,268 1,271 4,273 1,275 867,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 14.77,282 15.406,283 10.331,284 17.657,285 13.815,286 13.815,287 13.815,288 13.815,289 13.815,290 9.92,291 17.481,292 4.869,293 14.294,294 3.873,295 1.782,296 0.875,297 0.208,298 0.208,299 0.208,300 3.969,303 1,304 1,305 1,306 610,307 2.828,310 65.416,311 157.366,315 173.459,318 2.064,319 18.643,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 278,332 4.699,333 3.268,334 6.782,335 4.208,336 3.227,337 4.74,338 0.86,339 11.1,340 3.164,341 4.166,342 2.89,343 6.041,344 3.69,345 2.713,346 3.929,347 0.6,348 8.673,349 2.652,350 3.973,351 2.742,352 5.449,353 3.538,354 2.549,355 3.554,357 7.176,358 2.524,359 3.715,360 2.499,361 5.331,362 3.297,363 2.339,364 3.173,366 6.811,367 2.238,368 3.549,369 2.272,370 5.248,371 3.087,372 2.138,373 2.976,375 6.578,376 2.015,377 3.419,378 2.072,379 5.098,380 2.939,381 1.981,382 2.78,384 5.985,385 1.893,386 2.816,387 1.507,388 4.143,389 2.295,390 1.308,391 1.928,393 3.433,394 1.29,395 2.764,396 1.449,397 3.616,398 2.264,399 1.271,400 1.855,402 2.803,403 1.261,404 2.326,405 1.273,406 3.511,407 2.013,408 1.098,409 1.241,411 2.137,412 0.993,413 2.21,414 0.967,415 3.245,416 1.849,417 0.87,418 1.161,420 1.937,421 0.85,422 2.122,423 0.803,424 3.02,425 1.618,426 0.618,427 0.927,428 1.372,429 0.618,430 2.118,431 0.618,432 3,433 1.459,434 0.506,435 0.798,436 1.201,437 0.481,438 1.512,439 0.317,440 2.928,441 1.095,442 0.153,443 0.198,445 0.351,446 0.143,447 1.205,448 -0.09,449 2.621,450 0.742,451 -0.221,452 -0.296,454 -0.514,455 -0.211,456 0.849,457 -0.302,458 2.352,459 0.488,460 -0.465,461 -0.576,463 -1.005,464 -0.442,465 11.867,466 0.475,467 0.516,468 0.021,469 37.25,470 1.49,471 21,472 0.84,473 16.25,474 0.65,475 16.008,476 0.64,477 25.333,478 0.603,479 25.768,480 1.031,481 7.404,482 0.296,483 4.838,484 0.194,485 0.076,487 0.337,493 0.919,494 1.101,495 0.734,496 0.964,497 1.071,498 0.84,499 1.171,500 1.137,501 0.809,502 0.973,503 0.848,504 0.864,505 1.352,506 1.029,507 0.977,508 0.822,509 1.132,510 0.842,511 0.805,512 1.194,513 1.058,514 1.127,515 1.067,516 1.121,517 0.657,518 0.978,519 0.978,520 1.025,521 0.913,522 1.038,523 0.934,524 0.971,525 0.954,526 1.004,527 0.874,528 0.994,529 0.972,530 1.065,531 1.075,532 1.049,533 1.033,534 1.065,535 1.141,536 0.938,537 1.143,538 0.954,539 1.409,540 1.013,541 4.5,542 0.069,543 2.444,544 1.41,545 1.747,546 0.67,547 0.554,548 0.205,549 0.221,550 0.153,551 7641,552 20054,553 2.154,554 40.5,556 10,557 1,558 1,559 2,561 3,564 1.677,565 2.055,566 3.42,567 0.233,569 1,573 63.797,574 1.519,575 3.611,576 4.517,577 5.184,578 5.184,579 5.184,580 2.953,581 4.164,582 4.605,583 3.583,584 1074.88,585 7.956,586 12897.3,588 1,590 1,591 226.477,592 1.26,593 4.592,594 0.161,595 0.005,596 0.063,597 0.036,598 0.05,599 0.022,600 0.02,601 0.009,602 0.012,603 0.009,604 0.385,605 0.33,606 1,607 0.849,608 120.979,609 -0.062,610 -0.038,611 0.049,612 -0.012,613 -0.19,614 0.033,615 -0.093,616 -0.123,617 0.064,618 -0.011,619 0.031,620 0.038,621 -0.154,622 0.003,623 -0.028,624 0.121,625 -0.071,626 0.069,627 -0.033,628 -0.117,629 -0.171,630 -0.199,631 -0.051,632 -0.208,633 0.106,634 0.02,635 -0.023,636 -0.053,637 0.043,638 -0.054,639 -0.013,640 -0.033,641 0.038,642 -0.006,643 0.026,644 0.014,645 -0.024,646 -0.061,647 -0.091,648 -0.093,649 -0.015,650 -0.098,651 -0.173,652 0.079,653 -0.132,654 -0.005,655 -0.287,656 -0.041,657 0.969,658 2.372,659 0.76,660 25.83,661 1.003,662 1.115,663 1.902,664 3.616,665 0.697,666 3.367,667 3.689,668 3.989,669 4.277,670 4.522,671 4.663,672 4.828,673 4.99,674 5.153,675 5.142,676 6.345,677 0.671,678 331.4,679 3.367,680 4.905,681 5.765,682 6.648,683 7.527,684 8.418,685 9.307,686 10.204,687 11.098,688 11.999,689 7.1,693 1,698 1,699 1,703 4,704 9,705 1,707 1,709 4,711 21,714 1,722 1,729 1,731 42,733 22,734 2,735 28,737 45,738 20,739 17,740 6,741 6,742 1,746 4,747 7,752 1,761 18,762 2,766 1,773 1,774 1,778 1,780 1,781 17,782 5,783 2,784 5,790 3,794 0.5,795 2,805 1,811 1,812 3,816 2,840 2,844 1,848 25,849 1,854 1,856 1,870 4.8,875 2,877 12.167,878 7.9,879 5.528,880 2.55,881 4.67,882 1.612,883 1.032,884 4.121,885 12.302,886 3.701,887 4.379,888 5.073,889 5.748,890 6.38,891 6.875,892 7.414,893 7.956,894 8.483,895 8.782,896 0.875,897 39,898 9.172,900 3.878,901 7.653,902 17.515,904 14.234,905 2.153,906 53.833,909 1,910 176.567,911 135.654,912 66.468,914 20.507,917 135.654,918 197.074,919 66.468,920 8.825,921 4.592,922 120.447,923 37.604,924 57.484,925 17.22,926 153.024,928 176.567,929 202.123,930 20.507,933 141.253,934 55.821,937 34.491,938 141.798,939 25.833,941 176.567,942 86.975,943 135.654,946 176.567,947 30.232,948 105.422,950 86.975,951 176.567,952 86.975,953 135.654,955 0.575,956 0.34,957 0.19,958 0.1,959 20,960 8,961 0.089,962 4,963 2,964 1.211,965 3.801,966 210.536,967 0.211,968 19,969 116.096,974 15.67,975 6.575,976 3.086,977 3.437,978 86.975,979 16.837,980 4.713,982 5.254,984 2.987,986 32.897,987 399.196,988 39.5,995 1.68,996 4.427,999 42.145,1000 46.82,1001 0.282,1002 0.67,1003 0.838,1004 0.961,1005 0.961,1006 0.961,1007 4.914,1008 1.271,1009 5.74,1010 3.433,1011 4.369,1012 5.066,1013 1.163,1014 6.553,1015 4.311,1016 6.146,1017 1.098,1018 7.294,1019 2.803,1020 3.892,1021 4.913,1023 7.431,1024 3.816,1025 7.466,1026 0.87,1027 8.948,1028 2.137,1029 5.958,1030 7.403,1031 0.856,1032 10.556,1033 5.855,1034 8.829,1035 0.618,1036 10.662,1037 1.937,1038 6.33,1039 8.13,1041 12.276,1042 6.212,1043 10.225,1044 0.506,1045 12.416,1046 1.372,1047 7.828,1048 10.038,1049 0.643,1050 14.924,1051 7.689,1052 11.644,1053 0.153,1054 14.197,1055 1.201,1056 8.6,1057 11.186,1059 17.014,1060 8.447,1061 13.082,1062 -0.221,1063 16,1064 0.351,1065 9.875,1066 12.864,1067 0.49,1068 19.505,1069 9.703,1070 3.227,1071 -0.465,1072 17.818,1073 -0.514,1074 10.846,1075 14.221,1077 21.766,1078 10.658,1079 2.713,1080 11.1,1081 19.651,1082 -1.005,1083 12.036,1084 15.81,1085 0.375,1086 24.201,1087 11.83,1088 2.549,1089 8.673,1090 21.495,1091 4.74,1092 13.104,1093 17.269,1095 26.54,1096 12.881,1097 2.339,1098 7.176,1099 23.349,1100 3.929,1101 14.266,1102 18.827,1103 0.286,1104 28.955,1105 14.025,1106 2.138,1107 6.811,1108 25.212,1109 3.554,1110 15.382,1111 20.333,1113 31.329,1114 15.122,1115 1.981,1116 6.578,1117 27.081,1118 3.173,1119 16.538,1120 21.882,1121 0.218,1122 33.737,1123 16.259,1124 1.308,1125 5.985,1126 28.958,1127 2.976,1128 17.679,1129 23.412,1131 36.128,1132 17.38,1133 7208,1134 11812,1135 19.186,1136 29.256,1137 42.102,1138 42.176,1139 42.394,1140 41.537,1141 41.539,1142 58.522,1143 2.92,1144 119.115,1145 40.246,1146 5.394,1147 5.268,1148 6.55,1149 5.257,1150 5.227,1151 7.74,1152 1.72,1153 18.642,1154 5.164,1155 9.072,1156 1.504,1157 1.506,1158 1.514,1159 1.483,1160 1.484,1161 2.09,1162 0.104,1163 4.254,1164 1.437,1165 4.16,1166 4.183,1167 4.134,1168 4.091,1169 5.198,1170 4.099,1171 3.902,1172 3.914,1173 3.853,1174 3.76,1175 5.103,1176 3.777,1177 3.775,1178 3.795,1179 3.72,1180 3.687,1181 4.842,1182 3.694,1183 3.482,1184 3.547,1185 3.342,1186 3.281,1187 4.749,1188 3.282,1189 3.297,1190 3.363,1191 3.186,1192 3.151,1193 4.503,1194 3.152,1195 3.095,1196 3.169,1197 3.009,1198 2.922,1199 4.219,1200 2.935,1201 3.01,1202 3.077,1203 2.893,1204 2.853,1205 3.977,1206 2.856,1207 2.774,1208 2.844,1209 2.622,1210 2.643,1211 3.664,1212 2.631,1213 0.168,1214 0.117,1215 0.242,1216 0.15,1217 0.115,1218 4.699,1219 0.169,1220 3.268,1221 0.031,1222 6.782,1223 0.396,1224 4.208,1225 0.113,1226 3.227,1227 4.74,1228 0.86,1229 11.1,1230 3.164,1231 2.112,1232 2.093,1233 2.162,1234 2.194,1235 1.305,1236 2.186,1237 1.785,1238 1.763,1239 1.891,1240 1.892,1241 0.999,1242 1.891,1243 1.539,1244 1.506,1245 1.78,1246 1.723,1247 0.918,1248 1.735,1249 1.46,1250 1.392,1251 1.68,1252 1.643,1253 0.735,1254 1.654,1255 1.358,1256 1.331,1257 1.509,1258 1.585,1259 0.468,1260 1.571,1261 1.191,1262 1.15,1263 1.373,1264 1.426,1265 0.364,1266 1.417,1267 1.026,1268 0.975,1269 1.202,1270 1.225,1271 0.24,1272 1.217,1273 0.826,1274 0.769,1275 1.09,1276 1.068,1277 0.149,1278 1.065,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.443,1285 8.507,1286 6.26,1287 10.192,1289 1.955,1293 6.372,1295 0.615,1297 5.556,1305 28.181,1306 63.797,1307 151.648,1308 189.722,1309 217.722,1310 217.722,1311 217.722,1312 30.552,1313 7.632,1314 73.64,1315 73.64,1316 23,1317 12.522,1318 4.524,1319 3.644,1320 36.069,1321 95,1322 100,1323 0.191,1324 172.145,1325 285.7,1326 411.794,1327 21223,1329 17.225,1330 0.689,1331 0.551,1332 17.225,1333 13.769,1334 12.242,1335 0.437,1336 0.288,1337 7.973,1338 11.791,1339 7.792,1340 6.463,1341 12.242,1342 8.078,1343 10.817,1344 0.277,1345 0.144,1346 10.817,1347 5.613,1348 9.418,1349 0.178,1350 0.075,1351 9.418,1352 3.966,1353 8.053,1354 0.113,1355 0.039,1356 8.053,1357 2.783,1358 6.348,1359 0.07,1360 0.02,1361 6.348,1362 1.822,1363 0.3,1364 76.417,1365 0.228,1366 24.433,1367 0.521,1368 134,1369 386.074,1370 145.887,1371 374.406,1372 527.78,1373 354,1374 159,1375 404.945,1376 170.696,1377 408.653,1378 599.13,1379 387,1380 4.398}
{0 CHEMBL1762774,1 1.571,2 10.833,3 5.66,4 32.038,5 114.17,6 8.414,7 0.824,8 3.995,9 4.112,10 3.672,11 3.55,12 5.216,13 3.566,14 4.44,15 4.585,16 4.033,17 3.914,18 5.674,19 3.908,20 4.658,21 4.852,22 4.03,23 3.966,24 5.771,25 3.948,26 4.662,27 4.883,28 4.011,29 3.897,30 5.8,31 3.878,32 4.596,33 4.801,34 4.012,35 3.893,36 5.747,37 3.903,38 4.618,39 4.807,40 4.066,41 3.975,42 5.819,43 3.963,44 4.647,45 4.845,46 3.974,47 3.991,48 5.773,49 3.96,50 4.629,51 4.831,52 3.884,53 3.945,54 5.781,55 3.884,56 0.078,57 0.773,58 7.443,59 3.444,60 9.687,61 3.945,62 0.287,63 1.227,64 12.382,65 5.723,66 18.174,67 6.944,68 0.257,69 1.41,70 19.016,71 6.906,72 28.645,73 8.632,74 0.45,75 1.43,76 20.723,77 6.958,78 35.676,79 9.165,80 0.352,81 1.368,82 18.519,83 5.463,84 34.009,85 6.598,86 0.404,87 1.409,88 17.589,89 6.251,90 32.626,91 7.871,92 0.306,93 1.387,94 18.808,95 6.658,96 29.081,97 8.154,98 0.299,99 1.297,100 19.043,101 7.582,102 34.632,103 9.836,104 2,105 47,106 0.261,107 0.508,108 0.66,109 0.827,110 0.884,111 0.894,112 3.441,113 0.822,114 -5.55,115 -5.42,116 -5.06,119 46.8,142 13,144 3,146 1,148 1,150 2,152 1,162 1,172 9,174 6,175 2,178 4,180 6,183 9,187 4,192 4,195 4,198 3,199 12,202 4,203 1,204 5,212 10,217 2,223 1,224 15,227 4,228 1,229 1,232 4,237 8,242 2,245 6,250 9,253 2,255 7,258 6,263 3,268 5,271 8,275 1634,276 20.878,277 20.878,278 20.878,279 20.878,280 20.878,281 17.533,282 25.411,283 12.616,284 21.382,285 16.892,286 16.892,287 16.892,288 16.892,289 16.892,290 12,291 43.171,292 6.096,293 17.792,294 3.984,295 2.498,296 1.582,297 0.575,298 0.229,299 0.17,300 4.156,305 1,306 723,307 2.55,310 60.233,311 334.612,314 117.59,318 1.644,319 22.12,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 64.5,331 325,332 4.694,333 3.37,334 6.941,335 4.205,336 3.278,337 4.631,338 0.4,339 11.765,340 3.045,341 4.091,342 2.861,343 5.841,344 3.647,345 2.715,346 3.709,347 0.4,348 8.157,349 2.567,350 4.048,351 2.806,352 5.626,353 3.621,354 2.654,355 3.654,357 7.739,358 2.536,359 3.865,360 2.519,361 5.515,362 3.403,363 2.448,364 3.424,366 7.376,367 2.327,368 3.595,369 2.378,370 5.197,371 3.137,372 2.195,373 3.021,375 6.364,376 2.057,377 3.364,378 2.157,379 4.977,380 2.947,381 2.015,382 2.654,384 5.789,385 1.873,386 3.159,387 1.853,388 4.666,389 2.685,390 1.741,391 2.426,393 4.946,394 1.639,395 3.005,396 1.56,397 4.553,398 2.492,399 1.535,400 2.233,402 4.353,403 1.469,404 2.843,405 1.422,406 3.639,407 2.354,408 1.384,409 1.998,411 3.04,412 1.339,413 2.831,414 1.381,415 3.601,416 2.343,417 1.358,418 1.98,420 2.964,421 1.334,422 2.66,423 1.218,424 3.514,425 2.169,426 1.184,427 1.736,428 2.614,429 1.165,430 2.636,431 1.179,432 3.479,433 2.072,434 1.157,435 1.701,436 2.576,437 1.057,438 2.5,439 1,440 3.389,441 2,442 1,443 1.5,445 2.136,446 1,447 1.995,448 0.55,449 3.247,450 1.464,451 0.522,452 0.761,454 1.392,455 0.49,456 1.301,457 0.153,458 2.921,459 0.94,465 14.133,466 0.471,467 0.585,468 0.019,469 48.5,470 1.617,471 27.5,472 0.917,473 21,474 0.7,475 18.134,476 0.604,477 29.667,478 0.631,479 35.841,480 1.195,481 9.709,482 0.324,483 5.05,484 0.168,485 0.024,487 0.311,493 1.039,494 1.32,495 0.705,496 0.935,497 0.99,498 0.796,499 0.525,500 0.922,501 0.8,502 1.036,503 0.582,504 0.984,505 1.203,506 1.349,507 0.975,508 1.078,509 1.057,510 1.001,511 0.889,512 1.029,513 0.878,514 0.918,515 0.728,516 0.895,517 1.545,518 1.138,519 0.983,520 0.712,521 1.16,522 0.721,523 0.902,524 1.032,525 0.936,526 0.891,527 0.71,528 0.899,529 1.269,530 0.992,531 1.112,532 0.917,533 1.058,534 0.955,535 0.843,536 1.089,537 1.039,538 1.144,539 0.777,540 1.127,541 5,542 0.074,543 2,544 2.354,545 1.188,546 0.751,547 0.554,548 0.476,549 0.271,550 0.174,551 12089,552 32924,553 2.207,554 36.2,556 13,558 1,559 3,564 1.734,565 2.143,566 3.408,567 0.9,573 73.82,574 1.571,575 3.057,576 3.972,577 4.98,578 5.326,579 5.384,580 2.886,581 4.774,582 4.875,583 3.563,584 1550.02,585 8.538,586 21191.8,591 261.066,592 1.075,593 4.87,594 0.147,595 0.003,596 0.043,597 0.051,598 0.027,599 0.016,600 0.012,601 0.011,602 0.007,603 0.006,604 0.322,605 0.17,606 0.75,607 0.327,608 152.604,609 -0.152,610 -0.221,611 0.031,612 -0.027,613 -0.195,614 0.02,615 0.364,616 0.186,617 -0.012,618 -0.137,619 0.119,620 -0.152,621 -0.172,622 -0.321,623 -0.038,624 -0.147,625 -0.137,626 -0.085,627 0.197,628 0.015,629 0.124,630 0.001,631 0.16,632 0.034,633 -0.365,634 -0.029,635 -0.031,636 0.157,637 -0.205,638 0.135,639 0.094,640 0.062,641 -0.037,642 0.003,643 0.08,644 -0.03,645 -0.289,646 0.057,647 -0.189,648 0.01,649 -0.194,650 -0.044,651 0.058,652 -0.126,653 -0.083,654 -0.152,655 0.157,656 -0.14,657 1.503,658 3.785,659 0.9,660 29.498,661 1.01,662 1.123,663 4.316,664 18.63,665 0.709,666 3.555,667 3.871,668 4.159,669 4.489,670 4.736,671 4.828,672 5.017,673 5.22,674 5.298,675 5.412,676 6.501,677 0.691,678 395.46,679 3.555,680 5.094,681 5.948,682 6.832,683 7.706,684 8.601,685 9.486,686 10.388,687 11.28,688 12.186,689 14.9,697 3,699 4,702 1,703 2,704 14,705 4,709 6,710 1,711 28,724 2,728 1,731 47,733 28,734 3,735 34,737 51,738 22,739 22,740 5,741 13,746 5,747 6,761 22,781 17,782 7,783 3,784 8,787 1,790 7,794 0.8,795 1,811 1,812 4,815 1,840 4,848 30,853 1,855 2,870 2.1,872 1,877 14,878 8.367,879 6.528,880 2.612,881 5.275,882 1.651,883 1.034,884 4.814,885 13.377,886 3.892,887 4.541,888 5.167,889 5.827,890 6.4,891 6.703,892 7.209,893 7.739,894 8.086,895 8.525,896 1,897 46,898 10.983,900 4.693,901 7.711,902 20.786,904 16.901,905 2.211,906 66.333,910 164.795,911 147.309,912 105.063,914 42.683,917 147.309,918 207.479,919 105.063,922 123.191,923 121.597,924 56.096,925 5.942,926 153.024,928 164.795,929 252.372,930 42.683,933 164.795,934 42.683,937 54.381,938 130.849,939 67.142,941 164.795,942 147.746,943 147.309,946 164.795,947 15.499,948 133.709,949 36.022,950 109.825,951 164.795,952 147.746,953 147.309,955 0.574,956 0.33,957 0.193,958 0.108,959 24,960 9,961 0.098,962 5,963 1,964 1.074,965 4.208,966 280.132,967 0.074,968 27,969 143.207,974 18.25,975 7.913,976 3.88,977 1.634,978 145.847,979 25.716,980 17.852,984 3.106,985 1.817,986 78.705,987 459.85,988 48,999 47.458,1000 52.774,1001 0.283,1002 0.55,1003 0.715,1004 0.897,1005 0.959,1006 0.969,1007 5.1,1008 1.535,1009 5.911,1010 4.946,1011 4.554,1012 5.228,1013 0.495,1014 6.711,1015 4.447,1016 6.313,1017 1.384,1018 7.447,1019 4.353,1020 4.007,1021 4.913,1023 7.557,1024 3.804,1025 7.614,1026 1.358,1027 9.085,1028 3.04,1029 6.12,1030 7.473,1031 0.097,1032 10.716,1033 5.892,1034 8.953,1035 1.184,1036 10.788,1037 2.964,1038 6.431,1039 8.029,1041 12.495,1042 6.092,1043 10.326,1044 1.157,1045 12.535,1046 2.614,1047 7.982,1048 10.013,1049 0.016,1050 15.167,1051 7.619,1052 11.725,1053 1,1054 14.317,1055 2.576,1056 8.726,1057 11.031,1059 17.358,1060 8.251,1061 13.146,1062 0.522,1063 16.124,1064 2.136,1065 10.036,1066 12.751,1067 0.003,1068 19.879,1069 9.525,1070 3.278,1072 17.954,1073 1.392,1074 11.001,1075 14.018,1077 22.24,1078 10.384,1079 2.715,1080 11.765,1081 19.801,1083 12.213,1084 15.618,1086 24.718,1087 11.546,1088 2.654,1089 8.157,1090 21.663,1091 4.631,1092 13.287,1093 17.015,1095 27.143,1096 12.523,1097 2.448,1098 7.739,1099 23.538,1100 3.709,1101 14.466,1102 18.566,1104 29.61,1105 13.64,1106 2.195,1107 7.376,1108 25.424,1109 3.654,1110 15.593,1111 20.03,1113 32.06,1114 14.677,1115 2.015,1116 6.364,1117 27.319,1118 3.424,1119 16.764,1120 21.562,1122 34.524,1123 15.779,1124 1.741,1125 5.789,1126 29.221,1127 3.021,1128 17.918,1129 23.059,1131 36.983,1132 16.848,1133 11156,1134 18590,1135 23.75,1136 33.301,1137 51.042,1138 50.41,1139 51.331,1140 50.479,1141 50.374,1142 70.851,1143 1.6,1144 142.42,1145 47.798,1146 5.485,1147 5.37,1148 6.743,1149 5.305,1150 5.278,1151 7.631,1152 0.8,1153 18.958,1154 5.045,1155 7.364,1156 1.501,1157 1.483,1158 1.51,1159 1.485,1160 1.482,1161 2.084,1162 0.047,1163 4.189,1164 1.406,1165 4.137,1166 4.184,1167 4.115,1168 3.999,1169 6.471,1170 4.02,1171 3.908,1172 3.949,1173 3.848,1174 3.827,1175 5.16,1176 3.824,1177 3.882,1178 3.909,1179 3.824,1180 3.805,1181 4.952,1182 3.805,1183 3.713,1184 3.773,1185 3.674,1186 3.499,1187 4.753,1188 3.541,1189 3.38,1190 3.443,1191 3.31,1192 3.186,1193 4.645,1194 3.214,1195 3.041,1196 3.122,1197 2.952,1198 2.839,1199 4.331,1200 2.854,1201 2.97,1202 3.023,1203 2.874,1204 2.779,1205 4.09,1206 2.79,1207 2.912,1208 2.972,1209 2.799,1210 2.768,1211 3.953,1212 2.765,1213 0.138,1214 0.099,1215 0.204,1216 0.124,1217 0.096,1218 4.694,1219 0.136,1220 3.37,1221 0.012,1222 6.941,1223 0.346,1224 4.205,1225 0.09,1226 3.278,1227 4.631,1228 0.4,1229 11.765,1230 3.045,1231 1.926,1232 1.895,1233 2.018,1234 2.065,1235 1.119,1236 2.043,1237 1.888,1238 1.856,1239 2.006,1240 1.988,1241 1.062,1242 1.994,1243 1.878,1244 1.852,1245 1.984,1246 1.985,1247 1.051,1248 1.987,1249 1.644,1250 1.582,1251 1.701,1252 1.864,1253 0.649,1254 1.836,1255 1.317,1256 1.25,1257 1.41,1258 1.585,1259 0.4,1260 1.54,1261 0.993,1262 0.931,1263 1.19,1264 1.24,1265 0.236,1266 1.228,1267 0.922,1268 0.862,1269 1.181,1270 1.155,1271 0.218,1272 1.139,1273 0.898,1274 0.847,1275 1.154,1276 1.121,1277 0.198,1278 1.125,1279 4.234,1281 5.549,1282 2.398,1283 7.062,1284 4.844,1285 8.664,1286 7.05,1287 10.313,1294 9.785,1296 6.423,1305 32.499,1306 73.82,1307 143.657,1308 186.695,1309 234.046,1310 250.311,1311 253.066,1312 34.555,1313 8.101,1314 100.78,1315 100.78,1316 29,1317 12.707,1318 4.858,1319 3.907,1320 41.329,1321 111,1322 130,1323 0.173,1324 198.335,1325 324.33,1326 475.698,1327 40554,1329 20.338,1330 0.678,1331 0.526,1332 20.338,1333 15.766,1334 14.759,1335 0.434,1336 0.274,1337 9.179,1338 14.228,1339 9.039,1340 7.516,1341 14.759,1342 9.312,1343 13.187,1344 0.281,1345 0.139,1346 13.187,1347 6.535,1348 11.052,1349 0.175,1350 0.071,1351 11.052,1352 4.452,1353 9.912,1354 0.113,1355 0.036,1356 9.912,1357 3.131,1358 8.173,1359 0.072,1360 0.018,1361 8.173,1362 2.076,1363 0.267,1364 92.174,1365 0.205,1366 28.083,1367 0.489,1368 162,1369 467.041,1370 179.396,1371 463.882,1372 654.94,1373 436,1374 191,1375 509.326,1376 208.509,1377 515.925,1378 756.7,1379 487,1380 6.143}
{0 CHEMBL1762775,1 1.628,2 8.56,3 3.919,4 15.357,5 95.878,6 8.335,7 0.786,8 3.839,9 3.963,10 3.501,11 3.334,12 5.064,13 3.362,14 4.29,15 4.458,16 3.862,17 3.693,18 5.523,19 3.7,20 4.461,21 4.653,22 3.871,23 3.749,24 5.601,25 3.749,26 4.484,27 4.702,28 3.85,29 3.708,30 5.655,31 3.702,32 4.421,33 4.62,34 3.814,35 3.712,36 5.562,37 3.715,38 4.474,39 4.684,40 3.849,41 3.775,42 5.646,43 3.756,44 4.446,45 4.642,46 3.736,47 3.782,48 5.578,49 3.74,50 4.465,51 4.687,52 3.518,53 3.682,54 5.598,55 3.585,56 0.095,57 0.687,58 6.693,59 2.796,60 9.248,61 3.387,62 0.328,63 1.05,64 11.934,65 4.738,66 19.211,67 5.977,68 0.262,69 1.154,70 15.855,71 5.26,72 25.478,73 6.986,74 0.47,75 1.169,76 17.222,77 5.136,78 34.06,79 6.973,80 0.313,81 1.124,82 15.296,83 4.523,84 27.048,85 5.935,86 0.438,87 1.168,88 16.61,89 5.308,90 31.036,91 7.195,92 0.262,93 1.106,94 15.425,95 5.676,96 23.159,97 7.355,98 0.33,99 1.022,100 17.267,101 6.423,102 34.196,103 8.747,104 6,105 39,106 0.283,107 0.624,108 0.771,109 0.883,110 0.904,111 0.904,112 3.268,113 0.82,114 -4.62,115 -4.54,116 -4.27,119 42.5,124 1,142 8,144 2,146 1,148 1,150 2,152 1,162 1,172 5,174 6,175 2,178 4,180 4,183 5,187 4,192 2,195 2,198 3,199 8,202 4,203 1,204 4,212 6,217 2,223 1,224 9,227 4,228 1,229 1,232 4,237 4,242 2,245 6,250 5,253 2,255 5,258 4,263 1,268 3,271 2,275 953,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 14.723,282 22.248,283 10.303,284 17.846,285 13.819,286 13.819,287 13.819,288 13.819,289 13.819,290 9.923,291 35.671,292 4.859,293 14.712,294 3.694,295 1.732,296 0.888,297 0.238,298 0.119,299 0.119,300 3.969,303 1,304 1,305 1,306 466,307 2.449,310 48.073,311 198.746,314 94.591,318 1.258,319 20.276,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54.5,331 214,332 4.694,333 3.37,334 6.941,335 4.205,336 3.278,337 4.631,338 0.4,339 11.765,340 3.045,341 4.048,342 2.823,343 5.831,344 3.625,345 2.661,346 3.677,347 0.4,348 8.042,349 2.566,350 4.042,351 2.705,352 5.597,353 3.54,354 2.62,355 3.653,357 7.687,358 2.406,359 3.626,360 2.4,361 5.339,362 3.183,363 2.247,364 3.042,366 6.738,367 2.094,368 3.377,369 2.276,370 5.059,371 2.977,372 2.053,373 2.66,375 5.938,376 1.893,377 3.159,378 1.863,379 4.668,380 2.688,381 1.745,382 2.426,384 4.951,385 1.64,386 2.99,387 1.544,388 4.566,389 2.465,390 1.521,391 2.211,393 4.364,394 1.433,395 2.832,396 1.385,397 3.632,398 2.343,399 1.358,400 1.985,402 2.967,403 1.335,404 2.667,405 1.232,406 3.539,407 2.171,408 1.196,409 1.745,411 2.636,412 1.167,413 2.643,414 1.198,415 3.481,416 2.092,417 1.167,418 1.71,420 2.581,421 1.075,422 1.996,423 0.691,424 3.389,425 1.469,426 0.528,427 0.763,428 1.395,429 0.496,430 1.583,431 0.541,432 2.921,433 1.324,434 0.423,435 0.479,436 0.62,437 0.381,438 1.295,439 0.145,440 2.697,441 0.94,447 0.933,448 -0.057,449 2.469,450 0.521,451 -0.408,452 -0.513,454 -0.922,455 -0.373,456 0.816,457 -0.439,458 2.262,459 0.371,460 -0.559,461 -0.735,463 -1.345,464 -0.515,465 11.633,466 0.465,467 0.516,468 0.021,469 39.5,470 1.58,471 21.5,472 0.86,473 18,474 0.72,475 14.774,476 0.591,477 25.567,478 0.639,479 27.987,480 1.119,481 7.955,482 0.318,483 4.287,484 0.171,485 0.072,487 0.335,493 1.069,494 1.481,495 0.719,496 1.026,497 1.001,498 0.844,499 0.59,500 0.78,501 0.749,502 0.89,503 0.586,504 0.858,505 1.169,506 1.405,507 0.894,508 1.07,509 1.037,510 0.952,511 0.97,512 0.914,513 0.949,514 0.852,515 0.834,516 0.879,517 1.361,518 1.236,519 1.03,520 0.893,521 1.072,522 0.881,523 0.854,524 0.851,525 0.944,526 0.801,527 0.654,528 0.858,529 1.074,530 1.038,531 1.116,532 1.076,533 0.974,534 1.087,535 0.824,536 1.051,537 1.207,538 1.297,539 0.845,540 1.322,541 4.5,542 0.049,543 2,544 2.167,545 1.117,546 0.799,547 0.475,548 0.383,549 0.205,550 0.127,551 6689,552 19361,553 2.154,554 37.5,556 11,558 1,559 3,564 1.688,565 2.055,566 3.107,567 1.045,569 1,573 65.135,574 1.628,575 3.59,576 4.434,577 5.084,578 5.203,579 5.203,580 2.504,581 4.263,582 4.614,583 3.239,584 971.674,585 8.024,586 11546.5,588 1,589 1,590 1,591 212.877,592 1.26,593 4.592,594 0.161,595 0.008,596 0.051,597 0.056,598 0.03,599 0.022,600 0.013,601 0.011,602 0.008,603 0.008,604 0.368,605 0.17,606 1,607 0.663,608 118.125,609 -0.183,610 -0.329,611 0.029,612 -0.072,613 -0.201,614 0.001,615 0.321,616 0.358,617 0.078,618 0.034,619 0.129,620 0.002,621 -0.179,622 -0.371,623 0.019,624 -0.126,625 -0.112,626 -0.036,627 0.095,628 0.144,629 0.009,630 0.039,631 0.05,632 0.01,633 -0.338,634 -0.16,635 -0.123,636 0.009,637 -0.209,638 -0.006,639 0.073,640 0.213,641 -0.024,642 0.123,643 0.09,644 0.052,645 -0.228,646 -0.01,647 -0.227,648 -0.094,649 -0.154,650 -0.138,651 0.036,652 -0.12,653 -0.236,654 -0.277,655 0.091,656 -0.299,657 1.495,658 3.677,659 0.84,660 19.546,661 1.014,662 1.134,663 3.391,664 11.497,665 0.689,666 3.367,667 3.689,668 3.989,669 4.317,670 4.564,671 4.673,672 4.844,673 5.004,674 5.037,675 5.075,676 5.398,677 0.674,678 333.39,679 3.367,680 4.905,681 5.765,682 6.655,683 7.537,684 8.44,685 9.333,686 10.241,687 11.141,688 12.053,689 17.5,694 1,697 2,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,724 2,728 1,731 40,733 22,734 2,735 28,737 43,738 17,739 16,740 4,741 8,746 4,747 5,761 16,762 1,778 1,781 15,782 7,783 3,784 8,787 1,790 7,794 0.75,795 1,811 1,812 3,815 1,840 3,844 1,848 25,853 1,855 2,870 2.5,872 1,877 12.167,878 7.45,879 5.528,880 2.189,881 4.195,882 1.563,883 1.009,884 4.017,885 11.648,886 3.689,887 4.347,888 4.995,889 5.666,890 6.239,891 6.582,892 7.077,893 7.577,894 7.883,895 8.275,896 0.833,897 39,898 9.137,900 3.865,901 7.767,902 17.183,904 13.762,905 2.267,906 56.667,909 1,910 141.253,911 105.567,912 105.063,914 42.683,917 105.567,918 183.937,919 105.063,920 8.396,922 75.81,923 139.607,924 35.328,925 5.942,926 129.482,928 141.253,929 210.63,930 42.683,933 141.253,934 42.683,937 36.37,938 89.107,939 85.153,941 141.253,942 147.746,943 105.567,946 141.253,947 12.742,948 94.724,949 36.022,950 109.825,951 141.253,952 147.746,953 105.567,955 0.574,956 0.338,957 0.195,958 0.11,959 20,960 8,961 0.093,962 4,963 1,964 1.095,965 3.679,966 217.094,967 0.095,968 21,969 116.096,974 15.511,975 6.474,976 3.028,977 1.662,978 145.847,979 15.987,980 17.347,984 2.326,985 1.807,986 78.705,987 394.567,988 39,999 40.574,1000 45.358,1001 0.306,1002 0.675,1003 0.833,1004 0.955,1005 0.978,1006 0.978,1007 4.902,1008 1.358,1009 5.74,1010 4.364,1011 4.369,1012 5.034,1013 0.495,1014 6.561,1015 4.245,1016 6.123,1017 1.196,1018 7.294,1019 2.967,1020 3.892,1021 4.808,1023 7.469,1024 3.676,1025 7.436,1026 1.167,1027 8.949,1028 2.636,1029 5.958,1030 7.309,1031 0.097,1032 10.62,1033 5.702,1034 8.788,1035 0.528,1036 10.668,1037 2.581,1038 6.33,1039 7.947,1041 12.439,1042 5.971,1043 10.174,1044 0.423,1045 12.43,1046 1.395,1047 7.849,1048 9.889,1049 0.016,1050 15.115,1051 7.453,1052 11.586,1054 14.225,1055 0.62,1056 8.638,1057 10.969,1059 17.327,1060 8.141,1061 13.02,1062 -0.408,1063 16.045,1065 9.934,1066 12.665,1067 0.003,1068 19.854,1069 9.391,1070 3.278,1071 -0.559,1072 17.885,1073 -0.922,1074 10.928,1075 13.973,1077 22.224,1078 10.29,1079 2.661,1080 11.765,1081 19.742,1082 -1.345,1083 12.138,1084 15.563,1086 24.706,1087 11.443,1088 2.62,1089 8.042,1090 21.613,1091 4.631,1092 13.23,1093 16.985,1095 27.135,1096 12.447,1097 2.247,1098 7.687,1099 23.496,1100 3.677,1101 14.411,1102 18.533,1104 29.604,1105 13.563,1106 2.053,1107 6.738,1108 25.389,1109 3.653,1110 15.55,1111 20.01,1113 32.056,1114 14.617,1115 1.745,1116 5.938,1117 27.29,1118 3.042,1119 16.725,1120 21.542,1122 34.521,1123 15.722,1124 1.521,1125 4.951,1126 29.197,1127 2.66,1128 17.886,1129 23.046,1131 36.981,1132 16.803,1133 6375,1134 10987,1135 19.186,1136 27.54,1137 41.886,1138 41.69,1139 43.068,1140 41.622,1141 41.594,1142 57.965,1143 1.6,1144 119.367,1145 39.063,1146 5.477,1147 5.37,1148 6.621,1149 5.305,1150 5.278,1151 7.631,1152 0.8,1153 18.955,1154 5.045,1155 9.164,1156 1.496,1157 1.489,1158 1.538,1159 1.486,1160 1.486,1161 2.07,1162 0.057,1163 4.263,1164 1.395,1165 4.135,1166 4.181,1167 4.113,1168 3.996,1169 6.471,1170 4.018,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.157,1176 3.806,1177 3.764,1178 3.833,1179 3.729,1180 3.527,1181 4.948,1182 3.572,1183 3.407,1184 3.48,1185 3.324,1186 3.206,1187 4.645,1188 3.231,1189 3.253,1190 3.353,1191 3.083,1192 2.985,1193 4.339,1194 2.991,1195 2.978,1196 3.03,1197 2.883,1198 2.786,1199 4.242,1200 2.797,1201 2.916,1202 2.974,1203 2.804,1204 2.771,1205 3.953,1206 2.769,1207 2.897,1208 2.959,1209 2.762,1210 2.745,1211 3.811,1212 2.742,1213 0.168,1214 0.12,1215 0.248,1216 0.15,1217 0.117,1218 4.694,1219 0.165,1220 3.37,1221 0.014,1222 6.941,1223 0.42,1224 4.205,1225 0.109,1226 3.278,1227 4.631,1228 0.4,1229 11.765,1230 3.045,1231 1.923,1232 1.893,1233 2.012,1234 2.057,1235 1.119,1236 2.035,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.674,1244 1.607,1245 1.772,1246 1.911,1247 0.728,1248 1.883,1249 1.365,1250 1.287,1251 1.587,1252 1.649,1253 0.606,1254 1.632,1255 1.2,1256 1.103,1257 1.385,1258 1.492,1259 0.337,1260 1.479,1261 0.945,1262 0.891,1263 1.157,1264 1.163,1265 0.214,1266 1.147,1267 0.899,1268 0.848,1269 1.125,1270 1.127,1271 0.183,1272 1.128,1273 0.883,1274 0.832,1275 1.101,1276 1.085,1277 0.135,1278 1.103,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.844,1285 8.496,1286 7.05,1287 10.157,1289 1.747,1294 9.677,1296 6.114,1305 26.972,1306 65.135,1307 143.593,1308 177.367,1309 203.367,1310 208.122,1311 208.122,1312 28.358,1313 7.452,1314 100.78,1315 100.78,1316 23,1317 12.57,1318 4.524,1319 3.585,1320 35.566,1321 77,1322 83,1323 0.22,1324 166.549,1325 269.01,1326 398.14,1327 16674,1329 17.225,1330 0.689,1331 0.535,1332 17.225,1333 13.379,1334 12.242,1335 0.437,1336 0.273,1337 7.51,1338 11.691,1339 7.364,1340 6.148,1341 12.242,1342 7.651,1343 10.856,1344 0.278,1345 0.136,1346 10.856,1347 5.294,1348 9.238,1349 0.174,1350 0.069,1351 9.238,1352 3.646,1353 8.174,1354 0.11,1355 0.034,1356 8.174,1357 2.541,1358 6.705,1359 0.071,1360 0.018,1361 6.705,1362 1.675,1363 0.333,1364 77.217,1365 0.228,1366 23.746,1367 0.648,1368 134,1369 407.041,1370 150.73,1371 400.455,1372 562.85,1373 376,1374 159,1375 436.481,1376 175.843,1377 440.737,1378 647.82,1379 415,1380 6.721}
{0 CHEMBL1762776,1 1.874,2 10.172,3 4.926,4 24.267,5 101.328,6 9.335,7 0.688,8 3.93,9 4.044,10 3.659,11 3.388,12 5.225,13 3.45,14 4.429,15 4.579,16 4.111,17 3.745,18 6.17,19 3.798,20 4.604,21 4.801,22 4.013,23 3.799,24 5.93,25 3.827,26 4.577,27 4.787,28 3.994,29 3.758,30 5.857,31 3.787,32 4.537,33 4.728,34 4.065,35 3.77,36 5.997,37 3.817,38 4.571,39 4.76,40 4.072,41 3.84,42 5.916,43 3.87,44 4.602,45 4.795,46 4.012,47 3.844,48 6.004,49 3.85,50 4.563,51 4.761,52 3.854,53 3.776,54 5.853,55 3.75,56 0.284,57 0.934,58 5.23,59 3.177,60 34.271,61 3.145,62 0.964,63 1.712,64 11.003,65 5.563,66 139.071,67 5.623,68 0.933,69 1.407,70 17.498,71 5.877,72 94.766,73 6.753,74 0.809,75 1.346,76 17,77 5.733,78 79.613,79 6.808,80 0.823,81 1.427,82 14.664,83 4.572,84 72.122,85 5.549,86 0.696,87 1.528,88 14.858,89 5.987,90 57.723,91 6.918,92 0.914,93 1.487,94 16.26,95 6.125,96 80.994,97 7.009,98 0.68,99 1.366,100 15.776,101 7.089,102 67.297,103 8.53,104 20,105 46,106 0.321,107 0.646,108 0.781,109 0.884,110 0.903,111 0.903,112 3.409,113 0.79,114 -5.2,115 -5.1,116 -4.77,119 41.9,125 1,132 1,142 8,144 2,146 1,148 1,150 2,152 1,162 1,172 5,174 6,175 2,178 4,180 4,183 5,187 4,192 2,195 2,198 3,199 8,202 4,203 1,204 4,212 6,217 2,223 1,224 9,227 4,228 1,229 1,232 4,237 4,242 2,245 6,250 5,253 2,255 5,258 4,263 1,268 3,271 2,275 1510,276 19.256,277 19.256,278 19.256,279 19.256,280 19.256,281 16.662,282 24.425,283 11.33,284 20.031,285 15.87,286 15.87,287 15.87,288 15.87,289 15.87,290 11.996,291 38.154,292 5.458,293 17.299,294 3.553,295 1.658,296 0.872,297 0.268,298 0.157,299 0.157,300 4.104,304 1,305 1,306 632,307 3.606,310 59.447,311 243.322,314 115.885,318 1.581,319 44.212,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 67,331 295,332 4.694,333 4.263,334 6.941,335 4.205,336 3.278,337 4.631,338 3.02,339 11.765,340 3.045,341 4.126,342 3.37,343 6.397,344 3.904,345 3.103,346 3.68,347 0.4,348 9.963,349 2.567,350 4.048,351 2.823,352 5.831,353 3.625,354 2.661,355 3.653,356 0.4,357 8.054,358 2.491,359 4.015,360 2.71,361 5.598,362 3.531,363 2.614,364 3.118,366 7.692,367 2.365,368 3.623,369 2.402,370 5.348,371 3.18,372 2.246,373 3.018,375 6.802,376 2.083,377 3.375,378 2.284,379 5.066,380 2.975,381 2.053,382 2.657,384 5.97,385 1.888,386 3.159,387 1.866,388 4.669,389 2.688,390 1.745,391 2.426,393 4.956,394 1.639,395 2.99,396 1.556,397 4.571,398 2.466,399 1.523,400 2.21,402 4.392,403 1.433,404 2.832,405 1.385,406 3.635,407 2.343,408 1.358,409 1.985,411 2.967,412 1.335,413 2.668,414 1.246,415 3.557,416 2.171,417 1.199,418 1.745,420 2.666,421 1.167,422 2.643,423 1.204,424 3.482,425 2.095,426 1.168,427 1.711,428 2.584,429 1.077,430 1.997,431 0.942,432 3.391,433 1.531,434 0.642,435 0.771,436 1.557,437 0.566,438 1.762,439 0.546,440 3.311,441 1.453,442 0.516,443 0.689,445 1.356,446 0.483,447 1.295,448 0.51,449 2.921,450 0.94,456 0.935,457 0.51,458 2.533,459 0.521,460 -0.407,461 -0.513,463 -0.921,464 -0.372,465 12.99,466 0.448,467 0.87,468 0.03,469 42.25,470 1.457,471 21.5,472 0.741,473 20.75,474 0.716,475 19.527,476 0.673,477 31.41,478 0.73,479 34.342,480 1.184,481 8.624,482 0.297,483 5.264,484 0.182,485 0.092,486 0.038,487 0.3,490 3,493 0.738,494 1.157,495 0.613,496 1.044,497 0.679,498 0.846,499 0.422,500 0.692,501 0.66,502 0.959,503 0.392,504 0.947,505 0.926,506 0.916,507 1.021,508 0.939,509 0.874,510 0.988,511 0.746,512 0.797,513 0.915,514 0.861,515 0.645,516 0.921,517 0.669,518 0.728,519 0.847,520 0.776,521 0.525,522 0.837,523 0.656,524 0.895,525 0.806,526 0.933,527 0.537,528 0.926,529 0.747,530 0.676,531 1.034,532 0.912,533 0.769,534 1.042,535 0.635,536 0.965,537 0.975,538 1.297,539 0.592,540 1.313,541 7,542 0.178,543 2.444,544 2.292,545 1.437,546 0.994,547 0.66,548 0.529,549 0.396,550 0.311,551 10133,552 39683,553 2.082,554 32.6,556 10,558 1,559 3,564 1.726,565 1.944,566 3.32,567 1.028,573 80.561,574 1.874,575 3.768,576 4.554,577 5.159,578 5.269,579 5.269,580 2.738,581 4.487,582 4.825,583 3.515,584 1427.14,585 8.442,586 19103.9,588 1,591 233.329,592 1.548,593 4.781,594 0.219,595 0.01,596 0.053,597 0.053,598 0.034,599 0.022,600 0.014,601 0.013,602 0.011,603 0.01,604 0.44,605 0.17,606 1,607 1.064,608 145.8,609 -0.131,610 -0.222,611 -0.001,612 -0.071,613 -0.14,614 0.003,615 0.425,616 0.358,617 0.093,618 -0.009,619 0.419,620 -0.105,621 -0.111,622 -0.029,623 -0.12,624 -0.005,625 -0.117,626 -0.043,627 -0.05,628 -0.006,629 -0.017,630 0.024,631 -0.05,632 0.021,633 0.04,634 0.114,635 -0.021,636 0.09,637 0.079,638 0.036,639 -0.007,640 -0.065,641 0.022,642 -0.012,643 0.022,644 0.013,645 0.04,646 0.234,647 -0.162,648 0.042,649 -0.035,650 -0.092,651 0.031,652 -0.186,653 -0.059,654 -0.292,655 0.025,656 -0.248,657 5.656,658 4.483,659 0.724,660 28.076,661 1.046,662 1.158,663 3.975,664 15.8,665 0.677,666 3.497,667 3.85,668 4.06,669 4.382,670 4.644,671 4.754,672 4.942,673 5.124,674 5.204,675 5.257,676 6.341,677 0.69,678 401.39,679 3.497,680 5.056,681 5.894,682 6.792,683 7.656,684 8.56,685 9.439,686 10.347,687 11.236,688 12.147,689 16.3,694 1,697 2,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,724 2,728 1,731 43,733 22,734 2,735 32,737 46,738 18,739 16,740 4,741 8,746 4,747 5,752 1,757 1,761 16,762 2,779 3,781 14,782 10,783 3,784 11,787 1,790 7,794 0.75,795 1,811 1,812 3,815 1,840 3,846 3,848 29,853 1,854 1,855 2,860 1,869 3,870 2.3,872 1,877 14.917,878 7.629,879 6.153,880 2.296,881 4.268,882 1.55,883 1.003,884 5.054,885 12.032,886 3.784,887 4.434,888 5.021,889 5.686,890 6.265,891 6.613,892 7.114,893 7.622,894 7.944,895 8.338,896 0.857,897 43,898 11.058,900 5.178,901 8.307,902 19.247,904 15.511,905 2.807,906 81.417,909 1,910 129.482,911 107.036,912 105.063,914 42.683,915 44.88,917 107.036,918 172.165,919 149.943,921 2.106,922 75.81,923 139.607,924 80.209,925 5.942,926 117.711,927 7.76,928 129.482,929 212.099,930 87.564,933 129.482,934 87.564,937 46.235,938 80.711,939 85.153,941 174.362,942 147.746,943 107.036,946 137.242,947 14.848,948 86.328,949 36.022,950 154.706,951 129.482,952 192.626,953 107.036,955 0.588,956 0.311,957 0.174,958 0.103,959 23,960 10,961 0.109,962 5,963 1,964 1.095,965 3.982,966 261.688,967 0.095,968 21,969 136.127,974 19.124,975 7.664,976 4.451,977 1.267,978 190.727,979 14.705,980 16.41,984 0.821,985 1.555,986 78.705,987 429.145,988 43,999 44.996,1000 49.793,1001 0.345,1002 0.694,1003 0.839,1004 0.951,1005 0.971,1006 0.971,1007 5.027,1008 1.523,1009 5.916,1010 4.956,1011 4.533,1012 5.121,1013 2.729,1014 6.751,1015 4.366,1016 6.266,1017 1.358,1018 7.487,1019 4.392,1020 4.29,1021 4.987,1022 3.075,1023 7.849,1024 3.919,1025 7.592,1026 1.199,1027 9.163,1028 2.967,1029 6.192,1030 7.375,1031 4.551,1032 10.858,1033 5.833,1034 8.952,1035 1.168,1036 10.9,1037 2.666,1038 6.723,1039 8.038,1040 5.466,1041 12.757,1042 6.152,1043 10.341,1044 0.642,1045 12.678,1046 2.584,1047 8.156,1048 9.935,1049 6.664,1050 15.359,1051 7.58,1052 11.753,1053 0.516,1054 14.484,1055 1.557,1056 9.029,1057 11.015,1058 7.721,1059 17.581,1060 8.278,1061 13.183,1063 16.311,1064 1.356,1065 10.285,1066 12.693,1067 8.85,1068 20.065,1069 9.5,1070 3.278,1071 -0.407,1072 18.154,1074 11.316,1075 13.996,1076 9.943,1077 22.42,1078 10.392,1079 3.103,1080 11.765,1081 20.011,1082 -0.921,1083 12.506,1084 15.578,1085 11.055,1086 24.872,1087 11.528,1088 2.661,1089 9.963,1090 21.878,1091 4.631,1092 13.608,1093 16.996,1094 12.157,1095 27.282,1096 12.521,1097 2.614,1098 8.054,1099 23.755,1100 3.68,1101 14.776,1102 18.54,1103 13.264,1104 29.73,1105 13.625,1106 2.246,1107 7.692,1108 25.639,1109 3.653,1110 15.912,1111 20.015,1112 14.368,1113 32.164,1114 14.671,1115 2.053,1116 6.802,1117 27.53,1118 3.118,1119 17.075,1120 21.546,1121 15.474,1122 34.614,1123 15.767,1124 1.745,1125 5.97,1126 29.426,1127 3.018,1128 18.228,1129 23.049,1130 16.579,1131 37.06,1132 16.84,1133 9781,1134 19571,1135 21.266,1136 29.114,1137 48.926,1138 48.308,1139 48.934,1140 48.486,1141 48.211,1142 64.587,1143 7.64,1144 141.444,1145 44.278,1146 5.54,1147 6.263,1148 6.621,1149 5.305,1150 5.278,1151 7.631,1152 4.53,1153 18.956,1154 5.045,1155 14.453,1156 1.529,1157 1.51,1158 1.529,1159 1.515,1160 1.507,1161 2.018,1162 0.239,1163 4.42,1164 1.384,1165 4.135,1166 4.182,1167 4.114,1168 3.997,1169 8.513,1170 4.018,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 7.999,1176 3.806,1177 3.785,1178 3.852,1179 3.752,1180 3.541,1181 7.999,1182 3.587,1183 3.563,1184 3.624,1185 3.544,1186 3.285,1187 6.471,1188 3.326,1189 3.368,1190 3.431,1191 3.305,1192 3.15,1193 5.155,1194 3.186,1195 2.987,1196 3.047,1197 2.909,1198 2.792,1199 4.946,1200 2.804,1201 2.931,1202 2.992,1203 2.846,1204 2.771,1205 4.645,1206 2.772,1207 2.897,1208 2.962,1209 2.779,1210 2.745,1211 4.334,1212 2.742,1213 0.147,1214 0.133,1215 0.217,1216 0.131,1217 0.102,1218 4.694,1219 0.145,1220 4.263,1221 0.094,1222 6.941,1223 0.368,1224 4.205,1225 0.095,1226 3.278,1227 4.631,1228 3.02,1229 11.765,1230 3.045,1231 1.923,1232 1.893,1233 2.012,1234 2.059,1235 1.119,1236 2.036,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.682,1244 1.617,1245 1.764,1246 1.922,1247 0.869,1248 1.891,1249 1.435,1250 1.37,1251 1.581,1252 1.739,1253 0.629,1254 1.689,1255 1.273,1256 1.208,1257 1.385,1258 1.559,1259 0.346,1260 1.509,1261 0.95,1262 0.898,1263 1.157,1264 1.176,1265 0.214,1266 1.151,1267 0.899,1268 0.848,1269 1.125,1270 1.137,1271 0.183,1272 1.129,1273 0.883,1274 0.832,1275 1.101,1276 1.091,1277 0.135,1278 1.104,1279 4.174,1281 5.517,1282 2.398,1283 7.038,1284 4.844,1285 8.639,1286 7.05,1287 10.285,1291 37.45,1294 9.678,1295 -1.268,1296 5.205,1301 -4.406,1305 29.649,1306 80.561,1307 162.045,1308 195.82,1309 221.82,1310 226.574,1311 226.574,1312 48.951,1313 7.764,1314 100.78,1315 100.78,1316 23,1317 12.666,1318 4.524,1319 3.585,1320 44.392,1321 104,1322 111,1323 0.2,1324 179.736,1325 304.52,1326 430.316,1327 25436,1328 7,1329 20.433,1330 0.705,1331 0.508,1332 17.933,1333 14.72,1334 13.888,1335 0.434,1336 0.263,1337 8.213,1338 13.051,1339 8.164,1340 6.704,1341 12.742,1342 8.425,1343 13.547,1344 0.295,1345 0.131,1346 11.236,1347 6.013,1348 9.963,1349 0.175,1350 0.068,1351 9.358,1352 3.869,1353 8.703,1354 0.11,1355 0.034,1356 8.474,1357 2.685,1358 7.344,1359 0.071,1360 0.017,1361 6.863,1362 1.785,1363 0.308,1364 89.242,1365 0.217,1366 27.209,1367 0.569,1368 156,1369 687.374,1370 190.08,1371 584.319,1372 773.61,1373 542,1374 181,1375 560.763,1376 207.53,1377 543.168,1378 812.44,1379 511,1380 5.444}
{0 CHEMBL1762777,1 1.591,2 11.645,3 4.78,4 22.85,5 117.962,6 8.377,7 0.8,8 4.036,9 4.156,10 3.707,11 3.568,12 5.252,13 3.587,14 4.492,15 4.649,16 4.06,17 3.928,18 5.714,19 3.926,20 4.699,21 4.899,22 4.058,23 3.985,24 5.808,25 3.968,26 4.705,27 4.928,28 4.021,29 3.923,30 5.83,31 3.901,32 4.651,33 4.863,34 4.028,35 3.921,36 5.779,37 3.919,38 4.678,39 4.885,40 4.09,41 3.985,42 5.855,43 3.976,44 4.672,45 4.866,46 4.025,47 4.013,48 5.821,49 3.986,50 4.691,51 4.9,52 3.903,53 3.968,54 5.828,55 3.905,56 0.089,57 0.828,58 7.907,59 3.549,60 10.411,61 4.172,62 0.329,63 1.297,64 13.762,65 5.863,66 21.344,67 7.222,68 0.321,69 1.466,70 20.292,71 7.012,72 33.091,73 9.039,74 0.503,75 1.472,76 21.672,77 6.896,78 39.573,79 9.2,80 0.394,81 1.419,82 20.004,83 6.086,84 36.017,85 7.857,86 0.468,87 1.47,88 20.085,89 6.503,90 36.446,91 8.587,92 0.351,93 1.436,94 19.062,95 6.729,96 31.437,97 8.434,98 0.354,99 1.378,100 20.566,101 7.722,102 38.633,103 10.17,104 2,105 48,106 0.262,107 0.576,108 0.757,109 0.892,110 0.919,111 0.919,112 3.472,113 0.825,114 -4.81,115 -4.72,116 -4.43,119 44.9,125 1,142 11,144 2,145 1,146 2,148 1,150 2,152 1,162 1,172 7,174 6,175 4,178 4,180 4,183 6,187 5,190 1,192 3,195 2,198 3,199 8,202 4,203 1,204 5,211 2,212 8,217 3,223 1,224 11,227 4,228 1,229 1,232 4,236 2,237 8,242 2,245 6,250 7,253 2,255 5,258 4,262 1,263 5,266 1,268 4,271 3,275 1820,276 21.585,277 21.585,278 21.585,279 21.585,280 21.585,281 18.24,282 25.636,283 13.065,284 22.155,285 17.375,286 17.375,287 17.375,288 17.375,289 17.375,290 12.457,291 41.519,292 6.302,293 18.372,294 4.024,295 2.118,296 1.022,297 0.204,298 0.041,299 0.041,300 4.187,304 1,305 1,306 802,307 2.739,310 63.677,311 356.124,314 123.914,318 1.786,319 24.676,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 67,331 361,332 4.694,333 3.37,334 6.941,335 4.205,336 3.278,337 4.631,338 0.657,339 11.765,340 3.045,341 4.054,342 2.849,343 5.833,344 3.626,345 2.67,346 3.682,347 0.4,348 8.064,349 2.567,350 4.048,351 2.808,352 5.601,353 3.581,354 2.645,355 3.653,357 7.697,358 2.47,359 3.89,360 2.624,361 5.41,362 3.448,363 2.493,364 3.442,366 7.081,367 2.366,368 3.624,369 2.395,370 5.283,371 3.176,372 2.239,373 3.041,375 6.687,376 2.089,377 3.378,378 2.26,379 5.059,380 2.976,381 2.052,382 2.662,384 5.958,385 1.894,386 3.16,387 1.866,388 4.669,389 2.691,390 1.747,391 2.427,393 4.955,394 1.644,395 3.006,396 1.625,397 4.57,398 2.514,399 1.553,400 2.228,402 4.391,403 1.494,404 2.902,405 1.507,406 3.654,407 2.425,408 1.458,409 2.072,411 3.146,412 1.403,413 2.832,414 1.384,415 3.624,416 2.343,417 1.358,418 1.985,420 2.966,421 1.335,422 2.666,423 1.228,424 3.534,425 2.17,426 1.194,427 1.744,428 2.647,429 1.166,430 2.643,431 1.196,432 3.481,433 2.091,434 1.166,435 1.71,436 2.583,437 1.074,438 2.5,439 1,440 3.389,441 1.959,442 1,443 1.5,445 2.136,446 0.956,447 1.997,448 0.792,449 3.247,450 1.531,451 0.608,452 0.772,454 1.467,455 0.56,456 1.821,457 0.546,458 3.075,459 1.455,460 0.515,461 0.702,463 1.329,464 0.483,465 14.533,466 0.469,467 0.585,468 0.019,469 49.5,470 1.597,471 27.5,472 0.887,473 22,474 0.71,475 19.294,476 0.622,477 31.067,478 0.634,479 36.807,480 1.187,481 9.925,482 0.32,483 5.334,484 0.172,485 0.023,487 0.303,493 1.034,494 1.399,495 0.706,496 0.989,497 0.968,498 0.827,499 0.631,500 0.932,501 0.823,502 1.006,503 0.632,504 0.961,505 1.178,506 1.292,507 0.974,508 1.059,509 1.07,510 0.991,511 0.977,512 1.008,513 0.973,514 0.935,515 0.835,516 0.942,517 1.307,518 1.13,519 0.962,520 0.825,521 1.013,522 0.817,523 0.939,524 0.984,525 0.892,526 0.809,527 0.695,528 0.82,529 1.176,530 0.992,531 1.086,532 0.954,533 1.05,534 0.98,535 0.924,536 1.126,537 1.117,538 1.191,539 0.861,540 1.185,541 5,542 0.102,543 2.222,544 2.104,545 1.268,546 0.862,547 0.477,548 0.432,549 0.307,550 0.191,551 13580,552 37615,553 2.2,554 36.7,556 13,558 2,559 3,564 1.741,565 2.138,566 3.494,567 0.908,573 77.955,574 1.591,575 3.497,576 4.593,577 5.411,578 5.574,579 5.574,580 2.955,581 4.761,582 4.921,583 3.668,584 1705.4,585 8.624,586 24154.8,588 1,591 275.121,592 1.058,593 4.918,594 0.143,595 0.004,596 0.046,597 0.045,598 0.029,599 0.019,600 0.01,601 0.009,602 0.008,603 0.006,604 0.318,605 0.17,606 0.88,607 0.32,608 160.394,609 -0.154,610 -0.275,611 0.035,612 -0.056,613 -0.169,614 0.006,615 0.282,616 0.191,617 -0.013,618 -0.094,619 0.093,620 -0.114,621 -0.155,622 -0.265,623 -0.034,624 -0.121,625 -0.135,626 -0.068,627 0.103,628 0.033,629 0.017,630 -0.023,631 0.058,632 -0.023,633 -0.215,634 -0.065,635 -0.003,636 0.075,637 -0.108,638 0.076,639 0.064,640 0.089,641 0.045,642 0.1,643 0.105,644 0.078,645 -0.209,646 0.067,647 -0.182,648 -0.022,649 -0.171,650 -0.075,651 -0.005,652 -0.151,653 -0.161,654 -0.203,655 0.073,656 -0.204,657 1.506,658 3.793,659 0.871,660 33.101,661 1.011,662 1.128,663 3.577,664 12.797,665 0.7,666 3.584,667 3.892,668 4.174,669 4.489,670 4.736,671 4.82,672 5.004,673 5.193,674 5.283,675 5.38,676 6.906,677 0.684,678 410.48,679 3.584,680 5.118,681 5.969,682 6.847,683 7.717,684 8.607,685 9.489,686 10.387,687 11.276,688 12.179,689 16.3,694 1,697 2,699 5,702 1,703 2,704 13,705 5,709 6,710 1,711 28,724 2,728 1,731 49,733 28,734 2,735 35,737 53,738 22,739 21,740 4,741 8,746 5,747 6,761 21,762 1,781 18,782 8,783 3,784 9,787 1,790 8,794 0.8,795 1,805 1,811 1,812 4,815 1,840 4,848 31,853 1,854 1,855 2,870 2,872 1,877 14.5,878 8.733,879 6.778,880 2.722,881 5.247,882 1.644,883 1.024,884 5.233,885 13.397,886 3.912,887 4.551,888 5.173,889 5.818,890 6.385,891 6.672,892 7.166,893 7.677,894 8.022,895 8.44,896 0.875,897 47,898 11.353,900 4.829,901 7.72,902 21.473,904 17.367,905 2.22,906 68.833,908 1,909 1,910 176.567,911 139.509,912 121.848,914 42.683,917 139.509,918 219.25,919 121.848,921 2.106,922 104.239,923 168.164,924 47.133,925 5.942,926 153.024,928 176.567,929 261.358,930 42.683,933 176.567,934 42.683,937 50.28,938 109.14,939 101.938,941 176.567,942 164.532,943 139.509,946 176.567,947 17.605,948 123.804,949 36.022,950 126.611,951 176.567,952 164.532,953 139.509,955 0.572,956 0.329,957 0.189,958 0.106,959 24,960 9,961 0.113,962 6,963 1,964 1.074,965 4.328,966 288.82,967 0.074,968 27,969 153.58,974 19.127,975 8.481,976 4.213,977 1.626,978 162.632,979 23.474,980 22.129,984 3.094,985 1.813,986 78.705,987 480.608,988 49,999 49.56,1000 55.272,1001 0.283,1002 0.623,1003 0.818,1004 0.964,1005 0.993,1006 0.993,1007 5.118,1008 1.553,1009 5.927,1010 4.955,1011 4.575,1012 5.239,1013 0.781,1014 6.718,1015 4.461,1016 6.325,1017 1.458,1018 7.459,1019 4.391,1020 4.007,1021 4.913,1023 7.557,1024 3.804,1025 7.623,1026 1.358,1027 9.093,1028 3.146,1029 6.133,1030 7.476,1031 0.354,1032 10.709,1033 5.896,1034 8.96,1035 1.194,1036 10.792,1037 2.966,1038 6.431,1039 8.029,1041 12.489,1042 6.09,1043 10.33,1044 1.166,1045 12.537,1046 2.647,1047 7.987,1048 10.013,1049 0.157,1050 15.157,1051 7.613,1052 11.727,1053 1,1054 14.315,1055 2.583,1056 8.721,1057 11.029,1059 17.351,1060 8.243,1061 13.147,1062 0.608,1063 16.121,1064 2.136,1065 10.033,1066 12.748,1067 0.069,1068 19.871,1069 9.513,1070 3.278,1071 0.515,1072 17.949,1073 1.467,1074 10.992,1075 14.015,1077 22.234,1078 10.372,1079 2.67,1080 11.765,1081 19.796,1082 1.329,1083 12.205,1084 15.615,1085 0.03,1086 24.713,1087 11.531,1088 2.645,1089 8.064,1090 21.657,1091 4.631,1092 13.276,1093 17.012,1095 27.139,1096 12.509,1097 2.493,1098 7.697,1099 23.532,1100 3.682,1101 14.456,1102 18.563,1103 0.013,1104 29.607,1105 13.623,1106 2.239,1107 7.081,1108 25.418,1109 3.653,1110 15.582,1111 20.026,1113 32.057,1114 14.662,1115 2.052,1116 6.687,1117 27.313,1118 3.442,1119 16.754,1120 21.559,1121 0.006,1122 34.523,1123 15.764,1124 1.747,1125 5.958,1126 29.216,1127 3.041,1128 17.907,1129 23.056,1131 36.982,1132 16.834,1133 12540,1134 21051,1135 24.444,1136 34.307,1137 52.427,1138 51.952,1139 52.808,1140 52.011,1141 51.954,1142 72.499,1143 2.115,1144 145.742,1145 49.092,1146 5.521,1147 5.37,1148 6.742,1149 5.305,1150 5.278,1151 7.631,1152 1.315,1153 18.956,1154 5.045,1155 7.556,1156 1.498,1157 1.484,1158 1.509,1159 1.486,1160 1.484,1161 2.071,1162 0.06,1163 4.164,1164 1.403,1165 4.137,1166 4.183,1167 4.115,1168 3.998,1169 6.471,1170 4.019,1171 3.89,1172 3.938,1173 3.829,1174 3.807,1175 5.158,1176 3.807,1177 3.88,1178 3.908,1179 3.822,1180 3.769,1181 4.949,1182 3.775,1183 3.737,1184 3.8,1185 3.702,1186 3.515,1187 4.881,1188 3.559,1189 3.395,1190 3.46,1191 3.32,1192 3.204,1193 4.645,1194 3.228,1195 3.236,1196 3.319,1197 3.108,1198 3.042,1199 4.334,1200 3.046,1201 2.979,1202 3.031,1203 2.887,1204 2.79,1205 4.158,1206 2.801,1207 2.918,1208 2.975,1209 2.809,1210 2.771,1211 3.953,1212 2.771,1213 0.134,1214 0.096,1215 0.198,1216 0.12,1217 0.094,1218 4.694,1219 0.132,1220 3.37,1221 0.019,1222 6.941,1223 0.336,1224 4.205,1225 0.087,1226 3.278,1227 4.631,1228 0.657,1229 11.765,1230 3.045,1231 1.924,1232 1.893,1233 2.013,1234 2.062,1235 1.119,1236 2.039,1237 1.878,1238 1.852,1239 1.984,1240 1.988,1241 1.051,1242 1.987,1243 1.847,1244 1.806,1245 1.972,1246 1.985,1247 1.047,1248 1.985,1249 1.659,1250 1.596,1251 1.726,1252 1.884,1253 0.709,1254 1.854,1255 1.348,1256 1.279,1257 1.508,1258 1.612,1259 0.612,1260 1.577,1261 1.194,1262 1.121,1263 1.376,1264 1.439,1265 0.345,1266 1.438,1267 0.948,1268 0.895,1269 1.157,1270 1.163,1271 0.215,1272 1.147,1273 0.899,1274 0.848,1275 1.125,1276 1.127,1277 0.184,1278 1.128,1279 4.263,1281 5.572,1282 2.398,1283 7.079,1284 4.844,1285 8.675,1286 7.05,1287 10.318,1294 9.793,1295 0.489,1296 6.416,1305 33.52,1306 77.955,1307 171.352,1308 225.067,1309 265.121,1310 273.121,1311 273.121,1312 37.099,1313 8.15,1314 113.67,1315 113.67,1316 29,1317 12.702,1318 4.858,1319 3.907,1320 43.434,1321 122,1322 147,1323 0.165,1324 205.129,1325 335.33,1326 492.276,1327 44206,1329 21.045,1330 0.679,1331 0.527,1332 21.045,1333 16.343,1334 15.259,1335 0.436,1336 0.275,1337 9.476,1338 14.654,1339 9.336,1340 7.75,1341 15.259,1342 9.629,1343 13.529,1344 0.282,1345 0.14,1346 13.529,1347 6.719,1348 11.369,1349 0.178,1350 0.071,1351 11.369,1352 4.576,1353 10.013,1354 0.114,1355 0.036,1356 10.013,1357 3.178,1358 8.272,1359 0.073,1360 0.019,1361 8.272,1362 2.107,1363 0.257,1364 95.674,1365 0.202,1366 29.059,1367 0.459,1368 166,1369 490.686,1370 184.783,1371 484.694,1372 681.18,1373 456,1374 195,1375 525.227,1376 214.035,1377 531.02,1378 777.56,1379 501,1380 5.444}
{0 CHEMBL1762778,1 1.648,2 8.042,3 3.364,4 11.313,5 90.384,6 8.631,7 0.815,8 3.774,9 3.898,10 3.46,11 3.278,12 5.045,13 3.314,14 4.204,15 4.354,16 3.834,17 3.642,18 5.506,19 3.656,20 4.393,21 4.58,22 3.82,23 3.692,24 5.569,25 3.698,26 4.406,27 4.618,28 3.797,29 3.641,30 5.61,31 3.634,32 4.349,33 4.554,34 3.752,35 3.628,36 5.515,37 3.642,38 4.362,39 4.553,40 3.795,41 3.701,42 5.618,43 3.686,44 4.374,45 4.579,46 3.624,47 3.679,48 5.549,49 3.635,50 4.309,51 4.533,52 3.391,53 3.517,54 5.508,55 3.424,56 0.116,57 0.648,58 5.735,59 2.489,60 12.426,61 2.78,62 0.292,63 0.986,64 9.409,65 4.326,66 17.936,67 5.171,68 0.294,69 1.09,70 13.754,71 4.739,72 26.556,73 5.829,74 0.426,75 1.085,76 15.089,77 5.062,78 31.7,79 6.649,80 0.358,81 1.042,82 14.074,83 4.011,84 29.768,85 4.911,86 0.376,87 1.067,88 13.249,89 4.902,90 28.744,91 6.289,92 0.303,93 1.012,94 14.134,95 5.109,96 28.342,97 6.34,98 0.298,99 0.861,100 14.674,101 5.765,102 32.209,103 7.789,104 5,105 38,106 0.291,107 0.598,108 0.762,109 0.886,110 0.909,111 0.909,112 3.23,113 0.799,114 -4.38,115 -4.31,116 -4.07,119 43.2,142 8,144 2,146 1,148 1,150 2,152 1,162 1,163 1,164 1,165 1,172 5,174 6,175 2,177 2,178 4,180 4,183 5,187 4,192 2,195 2,198 3,199 8,201 2,202 4,203 1,204 4,212 6,217 2,223 1,224 9,226 1,227 4,228 1,229 1,231 1,232 4,234 1,237 4,242 2,245 6,247 2,250 5,253 2,255 5,258 4,260 3,263 1,268 3,271 2,273 1,275 830,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 19.086,283 9.801,284 16.929,285 13.392,286 13.392,287 13.392,288 13.392,289 13.392,290 9.5,291 28.171,292 4.713,293 14.237,294 3.561,295 1.818,296 0.885,297 0.183,298 0.054,299 0.054,300 3.93,303 1,304 1,305 1,306 423,307 2.236,310 45.52,311 188.534,314 89.747,318 1.132,319 21.489,320 1,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52.5,331 193,332 4.693,333 3.369,334 6.94,335 4.204,336 3.277,337 4.631,338 0.4,339 11.763,340 3.045,341 4.048,342 2.821,343 5.821,344 3.624,345 2.659,346 3.663,348 7.975,349 2.566,350 4.02,351 2.647,352 5.587,353 3.508,354 2.585,355 3.649,357 7.657,358 2.381,359 3.604,360 2.389,361 5.24,362 3.151,363 2.216,364 3.022,366 6.431,367 2.063,368 3.357,369 2.199,370 4.949,371 2.941,372 2.017,373 2.643,375 5.686,376 1.862,377 3.154,378 1.848,379 4.661,380 2.677,381 1.734,382 2.423,384 4.93,385 1.629,386 2.966,387 1.51,388 4.507,389 2.436,390 1.492,391 2.178,393 4.259,394 1.406,395 2.832,396 1.384,397 3.629,398 2.343,399 1.358,400 1.985,402 2.966,403 1.335,404 2.662,405 1.22,406 3.519,407 2.169,408 1.186,409 1.738,411 2.608,412 1.165,413 2.638,414 1.183,415 3.479,416 2.074,417 1.159,418 1.704,420 2.573,421 1.058,422 1.995,423 0.549,424 3.389,425 1.463,426 0.521,427 0.76,428 1.389,429 0.49,430 1.295,431 0.145,432 2.921,433 0.94,438 0.963,439 -0.057,440 2.478,441 0.528,442 -0.392,443 -0.499,445 -0.873,446 -0.355,447 0.905,448 -0.246,449 2.263,450 0.493,451 -0.418,452 -0.521,454 -0.949,455 -0.379,456 0.778,457 -0.465,458 2,459 0.34,460 -0.596,461 -0.775,463 -1.611,464 -0.553,465 11.133,466 0.464,467 0.554,468 0.023,469 38.75,470 1.615,471 21.5,472 0.896,473 17.25,474 0.719,475 13.41,476 0.559,477 24.267,478 0.656,479 27.007,480 1.125,481 7.741,482 0.323,483 3.962,484 0.165,485 0.066,487 0.35,493 1.116,494 1.375,495 0.713,496 0.927,497 1.125,498 0.768,499 0.489,500 0.821,501 0.713,502 0.974,503 0.502,504 0.914,505 1.232,506 1.349,507 0.977,508 1.064,509 1.037,510 0.981,511 0.794,512 0.978,513 0.891,514 0.966,515 0.695,516 0.952,517 1.426,518 1.089,519 1.029,520 0.734,521 1.045,522 0.764,523 0.703,524 0.949,525 0.922,526 0.948,527 0.607,528 0.966,529 1.131,530 0.945,531 1.196,532 1.04,533 1.083,534 1.098,535 0.683,536 1.072,537 1.098,538 1.339,539 0.852,540 1.321,541 4.5,542 0.025,543 2,544 2.167,545 1.077,546 0.737,547 0.475,548 0.342,549 0.192,550 0.111,551 6030,552 18256,553 2.161,554 35.1,556 8,558 1,559 4,564 1.677,565 2.057,566 3.036,567 1.86,568 1,569 1,571 1,573 60.993,574 1.648,575 3.391,576 4.324,577 5.027,578 5.155,579 5.155,580 2.428,581 4.585,582 4.556,583 3.174,584 875.899,585 7.905,586 10110.9,587 1,588 1,589 1,590 1,591 192.75,592 1.281,593 4.532,594 0.167,595 0.006,596 0.053,597 0.059,598 0.031,599 0.021,600 0.013,601 0.011,602 0.009,603 0.009,604 0.378,605 0.17,606 1,607 0.49,608 111.57,609 -0.239,610 -0.239,611 0.004,612 0.002,613 -0.286,614 0.045,615 0.364,616 0.311,617 0.056,618 -0.053,619 0.172,620 -0.078,621 -0.25,622 -0.32,623 -0.079,624 -0.131,625 -0.172,626 -0.08,627 0.189,628 0.04,629 0.069,630 -0.042,631 0.129,632 -0.026,633 -0.397,634 -0.034,635 -0.102,636 0.159,637 -0.217,638 0.114,639 0.151,640 0.101,641 -0.039,642 -0.005,643 0.141,644 -0.051,645 -0.269,646 0.052,647 -0.274,648 -0.062,649 -0.211,650 -0.135,651 0.163,652 -0.196,653 -0.075,654 -0.281,655 0.159,656 -0.238,657 1.541,658 3.637,659 0.875,660 17.951,661 1.019,662 1.134,663 3.147,664 9.907,665 0.697,666 3.332,667 3.664,668 3.951,669 4.29,670 4.533,671 4.635,672 4.787,673 4.956,674 4.963,675 4.997,676 5.21,677 0.688,678 319.36,679 3.332,680 4.875,681 5.733,682 6.627,683 7.507,684 8.412,685 9.303,686 10.214,687 11.112,688 12.026,689 18.9,693 1,697 2,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,722 1,724 1,728 1,731 37,733 22,734 2,735 27,737 40,738 16,739 16,740 4,741 8,746 4,747 5,761 16,777 1,778 1,781 13,782 7,783 4,784 8,787 1,790 7,794 0.75,795 1,811 1,812 3,815 1,840 3,848 24,849 1,853 1,855 1,870 2.7,872 1,877 11.667,878 6.533,879 5.194,880 1.96,881 4.165,882 1.566,883 1.025,884 3.574,885 11.523,886 3.664,887 4.334,888 4.974,889 5.65,890 6.221,891 6.558,892 7.044,893 7.551,894 7.841,895 8.23,896 1,897 37,898 8.758,900 3.752,901 7.84,902 16.343,904 13.213,905 2.34,906 56.167,910 105.94,911 97.171,912 119.949,914 42.683,917 97.171,918 148.623,919 119.949,922 108.707,923 121.597,924 35.328,925 5.942,926 94.169,928 105.94,929 217.12,930 42.683,933 105.94,934 42.683,937 36.37,938 113.608,939 67.142,941 105.94,942 162.632,943 97.171,946 105.94,947 12.742,948 86.328,949 18.011,950 142.723,951 105.94,952 162.632,953 97.171,955 0.579,956 0.333,957 0.195,958 0.111,959 20,960 8,961 0.075,962 3,963 1,964 1.095,965 3.6,966 206,967 0.095,968 21,969 110.039,974 14.571,975 5.886,976 2.816,977 1.602,978 160.733,979 15.732,980 16.754,984 1.841,985 1.747,986 93.591,987 365.743,988 38,999 37.691,1000 41.943,1001 0.316,1002 0.651,1003 0.83,1004 0.965,1005 0.99,1006 0.99,1007 4.879,1008 1.358,1009 5.714,1010 4.259,1011 4.344,1012 5.021,1013 0.278,1014 6.535,1015 4.222,1016 6.108,1017 1.186,1018 7.268,1019 2.966,1020 3.892,1021 4.808,1023 7.438,1024 3.676,1025 7.422,1026 1.159,1027 8.923,1028 2.608,1029 5.932,1030 7.299,1031 0.05,1032 10.596,1033 5.68,1034 8.775,1035 0.521,1036 10.642,1037 2.573,1038 6.312,1039 7.939,1041 12.417,1042 5.956,1043 10.161,1045 12.404,1046 1.389,1047 7.824,1048 9.881,1049 0.008,1050 15.099,1051 7.434,1052 11.573,1053 -0.392,1054 14.2,1056 8.618,1057 10.961,1059 17.315,1060 8.125,1061 13.006,1062 -0.418,1063 16.021,1064 -0.873,1065 9.913,1066 12.659,1067 0.001,1068 19.845,1069 9.376,1070 3.277,1071 -0.596,1072 17.863,1073 -0.949,1074 10.911,1075 13.967,1077 22.217,1078 10.277,1079 2.659,1080 11.763,1081 19.722,1082 -1.611,1083 12.121,1084 15.558,1086 24.7,1087 11.431,1088 2.585,1089 7.975,1090 21.596,1091 4.631,1092 13.215,1093 16.98,1095 27.131,1096 12.436,1097 2.216,1098 7.657,1099 23.481,1100 3.663,1101 14.398,1102 18.529,1104 29.601,1105 13.554,1106 2.017,1107 6.431,1108 25.375,1109 3.649,1110 15.538,1111 20.006,1113 32.053,1114 14.61,1115 1.734,1116 5.686,1117 27.278,1118 3.022,1119 16.714,1120 21.539,1122 34.519,1123 15.715,1124 1.492,1125 4.93,1126 29.187,1127 2.643,1128 17.876,1129 23.043,1131 36.979,1132 16.797,1133 5717,1134 10084,1135 18.493,1136 25.779,1137 40.975,1138 40.337,1139 41.73,1140 40.486,1141 40.413,1142 56.792,1143 0.8,1144 116.477,1145 38,1146 5.476,1147 5.369,1148 6.621,1149 5.304,1150 5.277,1151 7.631,1152 0.8,1153 18.951,1154 5.045,1155 8.77,1156 1.518,1157 1.494,1158 1.546,1159 1.499,1160 1.497,1161 2.103,1162 0.03,1163 4.314,1164 1.407,1165 4.134,1166 4.181,1167 4.112,1168 3.996,1169 6.471,1170 4.017,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.28,1176 3.806,1177 3.748,1178 3.817,1179 3.715,1180 3.511,1181 5.023,1182 3.558,1183 3.384,1184 3.449,1185 3.313,1186 3.187,1187 4.698,1188 3.215,1189 3.005,1190 3.105,1191 2.908,1192 2.797,1193 4.645,1194 2.809,1195 2.951,1196 3.016,1197 2.839,1198 2.772,1199 4.325,1200 2.774,1201 2.9,1202 2.969,1203 2.764,1204 2.745,1205 3.953,1206 2.742,1207 2.893,1208 2.959,1209 2.762,1210 2.596,1211 3.811,1212 2.631,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.121,1218 4.693,1219 0.172,1220 3.369,1221 0.015,1222 6.94,1223 0.436,1224 4.204,1225 0.113,1226 3.277,1227 4.631,1228 0.4,1229 11.763,1230 3.045,1231 1.923,1232 1.893,1233 2.012,1234 2.055,1235 1.119,1236 2.034,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.66,1244 1.594,1245 1.722,1246 1.9,1247 0.64,1248 1.866,1249 1.321,1250 1.252,1251 1.421,1252 1.6,1253 0.354,1254 1.554,1255 0.965,1256 0.907,1257 1.181,1258 1.266,1259 0.215,1260 1.25,1261 0.899,1262 0.848,1263 1.151,1264 1.154,1265 0.184,1266 1.138,1267 0.883,1268 0.833,1269 1.125,1270 1.119,1271 0.135,1272 1.124,1273 0.826,1274 0.712,1275 1.091,1276 1.085,1278 1.102,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.469,1286 7.05,1287 10.131,1293 5.682,1294 9.637,1296 3.171,1305 25.445,1306 60.993,1307 125.466,1308 159.995,1309 185.995,1310 190.75,1311 190.75,1312 27.308,1313 7.358,1314 114.77,1315 114.77,1316 23,1317 12.542,1318 4.524,1319 3.585,1320 33.53,1321 72,1322 73,1323 0.224,1324 156.957,1325 251.71,1326 374.734,1327 14757,1329 16.518,1330 0.688,1331 0.519,1332 16.518,1333 12.457,1334 11.704,1335 0.433,1336 0.266,1337 7.064,1338 11.193,1339 6.968,1340 5.786,1341 11.704,1342 7.19,1343 10.687,1344 0.281,1345 0.134,1346 10.687,1347 5.079,1348 8.814,1349 0.173,1350 0.067,1351 8.814,1352 3.441,1353 7.952,1354 0.11,1355 0.034,1356 7.952,1357 2.433,1358 6.462,1359 0.07,1360 0.017,1361 6.462,1362 1.605,1363 0.338,1364 73.72,1365 0.233,1366 22.896,1367 0.663,1368 130,1369 398.02,1370 146.369,1371 393.529,1372 551.13,1373 368,1374 154,1375 427.918,1376 170.01,1377 432.115,1378 634.09,1379 407,1380 6.886}
{0 CHEMBL1762779,1 1.628,2 7.957,3 3.589,4 12.882,5 85.77,6 8.695,7 0.846,8 3.718,9 3.83,10 3.419,11 3.25,12 4.974,13 3.281,14 4.153,15 4.3,16 3.774,17 3.61,18 5.417,19 3.621,20 4.332,21 4.512,22 3.762,23 3.655,24 5.485,25 3.653,26 4.35,27 4.565,28 3.728,29 3.589,30 5.517,31 3.582,32 4.26,33 4.451,34 3.69,35 3.581,36 5.435,37 3.59,38 4.3,39 4.497,40 3.676,41 3.642,42 5.496,43 3.613,44 4.251,45 4.453,46 3.506,47 3.59,48 5.386,49 3.536,50 4.161,51 4.376,52 3.248,53 3.398,54 5.346,55 3.299,56 0.087,57 0.596,58 5.108,59 2.479,60 8.292,61 2.684,62 0.262,63 0.93,64 8.646,65 3.98,66 14.495,67 4.573,68 0.234,69 1.022,70 12.578,71 4.838,72 21.752,73 5.754,74 0.389,75 1.033,76 14.558,77 4.862,78 28.306,79 6.203,80 0.288,81 0.968,82 12.109,83 3.92,84 25.027,85 4.453,86 0.343,87 0.985,88 12.676,89 4.702,90 25.448,91 5.849,92 0.229,93 0.884,94 12.57,95 5.008,96 21.41,97 6.16,98 0.243,99 0.745,100 12.306,101 5.188,102 26.046,103 6.831,104 2,105 36,106 0.29,107 0.571,108 0.737,109 0.859,110 0.883,111 0.883,112 3.19,113 0.804,114 -4.72,115 -4.64,116 -4.36,119 45.7,142 8,144 2,146 1,148 2,150 1,152 1,162 1,172 5,174 6,175 2,178 2,180 4,183 5,187 4,192 2,195 2,198 3,199 8,202 2,203 1,204 4,212 6,217 2,223 1,224 9,227 3,232 4,237 4,245 6,250 5,253 2,255 2,258 4,263 1,268 2,271 2,275 722,276 15.999,277 15.999,278 15.999,279 15.999,280 15.999,281 13.378,282 15.924,283 9.678,284 16.457,285 12.909,286 12.909,287 12.909,288 12.909,289 12.909,290 9.09,291 23.171,292 4.657,293 13.7,294 3.501,295 1.921,296 0.993,297 0.307,298 0.171,299 0.171,300 3.893,303 1,304 1,305 1,306 404,307 2.121,310 43.177,311 179.024,314 85.244,318 1.1,319 18.3,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50,331 183,332 4.69,333 3.364,334 6.938,335 4.201,336 3.273,337 4.628,338 0.4,339 11.752,340 3.042,341 4.048,342 2.817,343 5.8,344 3.624,345 2.657,346 3.655,348 7.884,349 2.566,350 3.913,351 2.528,352 5.573,353 3.408,354 2.475,355 3.509,357 7.587,358 2.306,359 3.513,360 2.371,361 5.159,362 3.076,363 2.146,364 2.896,366 6.179,367 1.988,368 3.237,369 1.927,370 4.702,371 2.764,372 1.822,373 2.526,375 5.015,376 1.711,377 3.119,378 1.685,379 4.629,380 2.591,381 1.651,382 2.4,384 4.63,385 1.551,386 2.833,387 1.389,388 3.707,389 2.343,390 1.359,391 1.989,393 3.021,394 1.335,395 2.772,396 1.323,397 3.606,398 2.235,399 1.303,400 1.895,402 2.923,403 1.212,404 2.652,405 1.209,406 3.481,407 2.161,408 1.175,409 1.724,411 2.587,412 1.155,413 2.5,414 1,415 3.297,416 1.9,417 1,418 1.5,420 2.136,421 0.9,422 1.993,423 0.543,424 3.247,425 1.459,426 0.518,427 0.756,428 1.349,429 0.486,430 1.295,431 0.145,432 2.92,433 0.94,438 0.933,439 -0.057,440 2.389,441 0.52,442 -0.408,443 -0.514,445 -0.92,446 -0.373,447 0.812,448 -0.449,449 2.236,450 0.365,451 -0.568,452 -0.749,454 -1.393,455 -0.526,456 0.683,457 -0.753,458 2,459 0.177,460 -0.792,461 -1.136,463 -1.947,464 -0.762,465 10.733,466 0.467,467 0.448,468 0.019,469 37.5,470 1.63,471 21,472 0.913,473 16.5,474 0.717,475 12.354,476 0.537,477 22.867,478 0.653,479 25.043,480 1.089,481 7.518,482 0.327,483 3.792,484 0.165,485 0.031,487 0.317,493 1.028,494 1.404,495 0.675,496 0.978,497 0.97,498 0.802,499 0.616,500 0.825,501 0.789,502 0.937,503 0.627,504 0.907,505 1.147,506 1.378,507 0.956,508 1.124,509 1.027,510 1.026,511 0.889,512 0.959,513 0.891,514 0.876,515 0.723,516 0.876,517 1.393,518 1.136,519 1.041,520 0.81,521 1.086,522 0.826,523 0.795,524 0.89,525 1.013,526 0.902,527 0.664,528 0.967,529 0.986,530 0.892,531 1.103,532 1.036,533 0.993,534 1.072,535 0.645,536 1.034,537 1.123,538 1.358,539 0.833,540 1.354,541 3.5,542 0.012,543 1.778,544 1.979,545 0.966,546 0.594,547 0.338,548 0.257,549 0.147,550 0.072,551 5479,552 16321,553 2.196,554 34.3,556 8,558 2,559 2,564 1.665,565 2.123,566 3.014,567 0.364,569 1,571 1,573 56.996,574 1.628,575 3.209,576 4.136,577 4.822,578 4.958,579 4.958,580 2.414,581 4.089,582 4.495,583 3.141,584 794.602,585 7.779,586 8891.12,587 1,588 1,589 1,590 1,591 179.525,592 1.121,593 4.483,594 0.135,595 0.006,596 0.049,597 0.057,598 0.029,599 0.018,600 0.011,601 0.01,602 0.008,603 0.007,604 0.329,605 0.33,606 1,607 0.393,608 105.316,609 -0.172,610 -0.31,611 0.028,612 -0.07,613 -0.188,614 -0.002,615 0.256,616 0.294,617 -0.025,618 -0.051,619 0.058,620 -0.099,621 -0.184,622 -0.371,623 -0.054,624 -0.187,625 -0.136,626 -0.116,627 0.124,628 0.059,629 0.101,630 0.046,631 0.126,632 0.06,633 -0.369,634 -0.072,635 -0.136,636 0.08,637 -0.218,638 0.039,639 0.063,640 0.138,641 -0.1,642 0.037,643 0.065,644 -0.039,645 -0.166,646 0.06,647 -0.158,648 -0.032,649 -0.141,650 -0.069,651 0.213,652 -0.176,653 -0.091,654 -0.296,655 0.202,656 -0.264,657 1.488,658 3.617,659 0.913,660 16.582,661 1.017,662 1.127,663 3.49,664 12.179,665 0.708,666 3.296,667 3.611,668 3.912,669 4.248,670 4.489,671 4.564,672 4.727,673 4.875,674 4.875,675 4.89,676 5.084,677 0.698,678 304.34,679 3.296,680 4.828,681 5.687,682 6.575,683 7.456,684 8.357,685 9.25,686 10.157,687 11.056,688 11.967,689 17.1,697 2,699 4,702 1,703 2,704 10,705 4,709 4,710 1,711 22,724 1,728 1,731 35,733 22,734 2,735 26,737 38,738 16,739 16,740 4,741 8,746 4,747 5,761 16,777 1,778 1,781 12,782 6,783 2,784 7,787 1,790 6,794 0.75,795 1,811 1,812 3,815 1,840 3,848 23,853 1,855 1,870 2.9,872 1,877 10.833,878 6.283,879 5.028,880 1.91,881 4.126,882 1.569,883 1.019,884 3.369,885 11.381,886 3.638,887 4.294,888 4.943,889 5.618,890 6.187,891 6.502,892 7.001,893 7.493,894 7.772,895 8.148,896 1,897 35,898 8.397,900 3.58,901 7.783,902 15.776,904 12.747,905 2.283,906 52.5,910 117.711,911 103.89,912 87.052,914 42.683,917 103.89,918 160.394,919 87.052,922 75.81,923 133.368,924 43.947,925 4.043,926 94.169,928 117.711,929 190.942,930 42.683,933 117.711,934 42.683,937 43.089,938 80.711,939 67.142,941 117.711,942 129.735,943 103.89,946 117.711,947 10.843,948 94.946,949 18.011,950 109.825,951 117.711,952 129.735,953 103.89,955 0.573,956 0.334,957 0.198,958 0.113,959 19,960 7,961 0.079,962 3,963 1,964 1.095,965 3.556,966 193.542,967 0.095,968 21,969 100.042,974 13.673,975 5.668,976 2.604,977 1.692,978 127.836,979 17.428,980 16.84,984 1.924,985 1.807,986 60.694,987 351.337,988 37,999 35.589,1000 39.445,1001 0.317,1002 0.626,1003 0.806,1004 0.94,1005 0.967,1006 0.967,1007 4.84,1008 1.303,1009 5.652,1010 3.021,1011 4.29,1012 4.98,1013 0.278,1014 6.469,1015 4.173,1016 6.057,1017 1.175,1018 7.2,1019 2.923,1020 3.761,1021 4.691,1023 7.372,1024 3.559,1025 7.364,1026 1,1027 8.853,1028 2.587,1029 5.866,1030 7.249,1031 0.05,1032 10.544,1033 5.625,1034 8.711,1035 0.518,1036 10.574,1037 2.136,1038 6.217,1039 7.858,1041 12.385,1042 5.876,1043 10.095,1045 12.342,1046 1.349,1047 7.761,1048 9.832,1049 0.008,1050 15.069,1051 7.384,1052 11.506,1053 -0.408,1054 14.145,1056 8.547,1057 10.902,1059 17.296,1060 8.07,1061 12.941,1062 -0.568,1063 15.973,1064 -0.92,1065 9.857,1066 12.616,1067 0.001,1068 19.826,1069 9.335,1070 3.273,1071 -0.792,1072 17.822,1073 -1.393,1074 10.856,1075 13.923,1077 22.203,1078 10.238,1079 2.657,1080 11.752,1081 19.688,1082 -1.947,1083 12.074,1084 15.523,1086 24.686,1087 11.399,1088 2.475,1089 7.884,1090 21.566,1091 4.628,1092 13.172,1093 16.947,1095 27.117,1096 12.407,1097 2.146,1098 7.587,1099 23.456,1100 3.655,1101 14.359,1102 18.5,1104 29.586,1105 13.528,1106 1.822,1107 6.179,1108 25.354,1109 3.509,1110 15.501,1111 19.98,1113 32.038,1114 14.586,1115 1.651,1116 5.015,1117 27.259,1118 2.896,1119 16.68,1120 21.516,1122 34.504,1123 15.694,1124 1.359,1125 4.63,1126 29.171,1127 2.526,1128 17.843,1129 23.022,1131 36.963,1132 16.777,1133 5159,1134 9035,1135 18.087,1136 24.773,1137 39.232,1138 38.703,1139 39.654,1140 38.793,1141 38.755,1142 54.958,1143 0.8,1144 110.125,1145 36.508,1146 5.472,1147 5.364,1148 6.74,1149 5.301,1150 5.273,1151 7.628,1152 0.8,1153 18.919,1154 5.042,1155 6.066,1156 1.509,1157 1.489,1158 1.525,1159 1.492,1160 1.491,1161 2.114,1162 0.031,1163 4.236,1164 1.404,1165 4.133,1166 4.179,1167 4.111,1168 3.996,1169 6.471,1170 4.017,1171 3.882,1172 3.908,1173 3.823,1174 3.806,1175 5.164,1176 3.806,1177 3.725,1178 3.792,1179 3.685,1180 3.497,1181 4.951,1182 3.539,1183 3.374,1184 3.438,1185 3.303,1186 3.179,1187 4.645,1188 3.206,1189 2.981,1190 3.035,1191 2.891,1192 2.792,1193 4.331,1194 2.803,1195 2.92,1196 2.976,1197 2.812,1198 2.771,1199 3.962,1200 2.771,1201 2.897,1202 2.959,1203 2.762,1204 2.745,1205 3.951,1206 2.742,1207 2.679,1208 2.776,1209 2.56,1210 2.423,1211 3.81,1212 2.442,1213 0.18,1214 0.129,1215 0.267,1216 0.162,1217 0.126,1218 4.69,1219 0.178,1220 3.364,1221 0.015,1222 6.938,1223 0.452,1224 4.201,1225 0.117,1226 3.273,1227 4.628,1228 0.4,1229 11.752,1230 3.042,1231 1.923,1232 1.893,1233 2.012,1234 2.052,1235 1.119,1236 2.033,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.652,1244 1.586,1245 1.725,1246 1.886,1247 0.645,1248 1.855,1249 1.31,1250 1.242,1251 1.411,1252 1.579,1253 0.372,1254 1.536,1255 0.953,1256 0.899,1257 1.157,1258 1.168,1259 0.218,1260 1.152,1261 0.899,1262 0.848,1263 1.125,1264 1.13,1265 0.185,1266 1.129,1267 0.883,1268 0.832,1269 1.105,1270 1.085,1271 0.135,1272 1.104,1273 0.692,1274 0.626,1275 0.947,1276 0.912,1278 0.923,1279 3.97,1281 5.283,1282 2.398,1283 6.801,1284 4.844,1285 8.412,1286 7.05,1287 10.071,1294 9.617,1296 3.193,1305 24.424,1306 56.996,1307 112.306,1308 144.77,1309 168.77,1310 173.525,1311 173.525,1312 24.552,1313 7.255,1314 88.75,1315 88.75,1316 23,1317 12.484,1318 4.524,1319 3.585,1320 31.56,1321 68,1322 67,1323 0.226,1324 150.162,1325 240.71,1326 358.156,1327 12994,1329 15.648,1330 0.68,1331 0.52,1332 15.648,1333 11.957,1334 11.31,1335 0.435,1336 0.268,1337 6.851,1338 10.828,1339 6.755,1340 5.612,1341 11.31,1342 6.97,1343 10.053,1344 0.279,1345 0.135,1346 10.053,1347 4.873,1348 8.487,1349 0.173,1350 0.068,1351 8.487,1352 3.343,1353 7.64,1354 0.111,1355 0.034,1356 7.64,1357 2.374,1358 6.285,1359 0.071,1360 0.018,1361 6.285,1362 1.57,1363 0.34,1364 71.16,1365 0.235,1366 22.1,1367 0.667,1368 124,1369 380.708,1370 138.565,1371 375.209,1372 525.2,1373 352,1374 147,1375 404.368,1376 161.845,1377 409.289,1378 599.37,1379 385,1380 5.699}
{0 CHEMBL1762780,1 1.688,2 8.56,3 4.094,4 16.758,5 92.147,6 8.574,7 0.786,8 3.822,9 3.93,10 3.508,11 3.313,12 5.072,13 3.352,14 4.276,15 4.424,16 3.867,17 3.664,18 5.544,19 3.685,20 4.407,21 4.578,22 3.873,23 3.719,24 5.581,25 3.733,26 4.469,27 4.677,28 3.855,29 3.682,30 5.664,31 3.687,32 4.388,33 4.572,34 3.817,35 3.688,36 5.551,37 3.701,38 4.461,39 4.658,40 3.861,41 3.744,42 5.666,43 3.74,44 4.407,45 4.582,46 3.74,47 3.738,48 5.573,49 3.714,50 4.42,51 4.621,52 3.525,53 3.628,54 5.599,55 3.555,56 0.116,57 0.645,58 6.034,59 2.871,60 9.146,61 3.175,62 0.423,63 0.986,64 11.401,65 4.706,66 22.834,67 5.467,68 0.282,69 1.094,70 13.646,71 5.06,72 22.79,73 6.2,74 0.555,75 1.133,76 16.611,77 5.043,78 35.972,79 6.531,80 0.338,81 1.078,82 13.867,83 4.514,84 26.44,85 5.463,86 0.516,87 1.11,88 15.973,89 5.253,90 32.779,91 6.714,92 0.318,93 1.019,94 14.254,95 5.706,96 24.355,97 6.735,98 0.392,99 0.948,100 15.833,101 6.22,102 33.742,103 7.789,104 6,105 39,106 0.295,107 0.63,108 0.773,109 0.88,110 0.901,111 0.901,112 3.268,113 0.805,114 -4.62,115 -4.54,116 -4.27,119 43.6,124 1,142 8,144 2,146 1,148 1,150 2,152 1,162 1,172 5,174 8,175 2,178 2,180 4,183 5,187 4,192 2,195 2,198 5,199 8,202 2,203 1,204 4,212 6,217 2,223 2,224 10,227 4,232 4,237 6,245 6,250 8,253 2,255 2,258 4,263 2,268 2,271 2,275 953,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 14.723,282 20.237,283 10.303,284 17.945,285 13.819,286 13.819,287 13.819,288 13.819,289 13.819,290 9.923,291 29.527,292 4.859,293 14.822,294 3.597,295 1.674,296 0.859,297 0.244,298 0.122,299 0.122,300 3.969,303 1,304 1,305 1,306 466,307 2.449,310 48.073,311 198.746,314 94.591,318 1.258,319 22.023,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55,331 214,332 4.694,333 3.372,334 6.941,335 4.205,336 3.278,337 4.631,338 0.86,339 11.765,340 3.044,341 4.048,342 2.865,343 5.831,344 3.625,345 2.661,346 3.677,347 0.4,348 8.042,349 2.566,350 4.042,351 2.8,352 5.597,353 3.529,354 2.62,355 3.653,357 7.687,358 2.382,359 3.626,360 2.426,361 5.339,362 3.174,363 2.247,364 3.042,366 6.738,367 2.069,368 3.377,369 2.332,370 5.059,371 2.968,372 2.053,373 2.66,375 5.938,376 1.873,377 3.159,378 1.876,379 4.668,380 2.685,381 1.745,382 2.426,384 4.951,385 1.634,386 2.99,387 1.576,388 4.566,389 2.459,390 1.521,391 2.211,393 4.364,394 1.422,395 2.832,396 1.385,397 3.632,398 2.343,399 1.358,400 1.985,402 2.967,403 1.335,404 2.667,405 1.256,406 3.539,407 2.17,408 1.196,409 1.745,411 2.636,412 1.166,413 2.643,414 1.205,415 3.481,416 2.089,417 1.167,418 1.71,420 2.581,421 1.07,422 1.996,423 0.936,424 3.389,425 1.467,426 0.528,427 0.763,428 1.395,429 0.494,430 1.583,431 0.546,432 2.921,433 1.259,434 0.423,435 0.479,436 0.62,437 0.353,438 1.295,439 0.145,440 2.697,441 0.94,447 0.933,448 -0.057,449 2.469,450 0.521,451 -0.408,452 -0.513,454 -0.922,455 -0.373,456 0.816,457 -0.37,458 2.262,459 0.37,460 -0.559,461 -0.735,463 -1.345,464 -0.513,465 11.567,466 0.463,467 0.516,468 0.021,469 39.5,470 1.58,471 21.5,472 0.86,473 18,474 0.72,475 14.664,476 0.587,477 25.633,478 0.657,479 28.097,480 1.124,481 8,482 0.32,483 4.242,484 0.17,485 0.072,487 0.337,493 1.011,494 1.472,495 0.683,496 1.075,497 0.982,498 0.856,499 0.743,500 0.769,501 0.754,502 0.826,503 0.644,504 0.816,505 1.042,506 1.482,507 0.889,508 1.141,509 1.002,510 1.003,511 0.887,512 0.92,513 0.936,514 0.805,515 0.823,516 0.852,517 1.18,518 1.266,519 1.006,520 0.933,521 1.038,522 0.904,523 0.828,524 0.822,525 0.926,526 0.782,527 0.653,528 0.835,529 1.117,530 1.006,531 1.087,532 1.077,533 0.998,534 1.069,535 0.964,536 1.021,537 1.239,538 1.302,539 0.909,540 1.334,541 4.5,542 0.049,543 2,544 2.167,545 1.117,546 0.799,547 0.475,548 0.383,549 0.205,550 0.127,551 6689,552 20375,553 2.154,554 35.9,556 11,558 1,559 2,564 1.688,565 2.055,566 3.107,567 0.352,569 1,573 65.831,574 1.688,575 3.611,576 4.426,577 5.042,578 5.163,579 5.163,580 2.504,581 4.263,582 4.614,583 3.239,584 971.674,585 8.024,586 11546.5,588 1,589 1,590 1,591 206.131,592 1.26,593 4.592,594 0.161,595 0.008,596 0.051,597 0.056,598 0.03,599 0.022,600 0.013,601 0.011,602 0.008,603 0.008,604 0.368,605 0.17,606 1,607 0.663,608 118.125,609 -0.155,610 -0.348,611 0.037,612 -0.121,613 -0.193,614 -0.023,615 0.26,616 0.341,617 0.071,618 0.099,619 0.113,620 0.03,621 -0.163,622 -0.426,623 -0.019,624 -0.207,625 -0.116,626 -0.105,627 0.103,628 0.148,629 0.023,630 0.081,631 0.052,632 0.04,633 -0.285,634 -0.176,635 -0.126,636 -0.034,637 -0.207,638 -0.031,639 0.099,640 0.239,642 0.14,643 0.106,644 0.076,645 -0.212,646 -0.005,647 -0.197,648 -0.085,649 -0.152,650 -0.116,651 -0.019,652 -0.1,653 -0.26,654 -0.284,655 0.063,656 -0.316,657 1.505,658 3.669,659 0.84,660 19.546,661 1.021,662 1.13,663 3.391,664 11.497,665 0.692,666 3.367,667 3.689,668 3.989,669 4.317,670 4.564,671 4.673,672 4.844,673 5.004,674 5.037,675 5.075,676 5.398,677 0.684,678 334.37,679 3.367,680 4.905,681 5.765,682 6.655,683 7.537,684 8.44,685 9.333,686 10.241,687 11.141,688 12.053,689 15.4,697 2,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,724 1,728 1,729 1,731 39,733 22,734 2,735 28,737 42,738 17,739 16,740 4,741 8,746 4,747 5,761 16,762 1,778 1,781 14,782 7,783 2,784 8,787 1,790 6,794 0.75,795 2,811 1,812 3,815 1,840 3,844 1,848 25,853 1,855 1,856 1,870 5.1,872 1,875 1,877 12.167,878 7.367,879 5.528,880 2.085,881 4.195,882 1.563,883 0.997,884 4.017,885 11.648,886 3.689,887 4.347,888 4.995,889 5.666,890 6.239,891 6.582,892 7.077,893 7.577,894 7.883,895 8.275,896 0.833,897 39,898 9.131,900 3.86,901 7.807,902 17.085,904 13.617,905 2.307,906 57.667,910 141.253,911 110.541,912 87.052,914 53.683,917 110.541,918 194.936,919 87.052,920 10.883,922 75.81,923 121.597,924 46.328,925 8.429,926 129.482,928 141.253,929 197.593,930 53.683,933 141.253,934 53.683,937 38.857,938 91.594,939 67.142,941 141.253,942 140.735,943 110.541,946 141.253,947 15.229,948 97.211,949 18.011,950 120.825,951 141.253,952 140.735,953 110.541,955 0.574,956 0.338,957 0.195,958 0.11,959 20,960 8,961 0.095,962 4,963 1,964 1.095,965 3.679,966 217.094,967 0.095,968 21,969 116.096,974 15.511,975 6.474,976 3.028,977 1.614,978 138.836,979 15.817,980 17.064,984 1.96,985 1.767,986 60.694,987 392.529,988 39,999 39.8,1000 44.069,1001 0.319,1002 0.683,1003 0.837,1004 0.954,1005 0.977,1006 0.977,1007 4.902,1008 1.358,1009 5.74,1010 4.364,1011 4.369,1012 5.034,1013 1.029,1014 6.561,1015 4.235,1016 6.123,1017 1.196,1018 7.294,1019 2.967,1020 3.892,1021 4.808,1023 7.469,1024 3.664,1025 7.436,1026 1.167,1027 8.949,1028 2.636,1029 5.958,1030 7.309,1031 0.763,1032 10.62,1033 5.688,1034 8.788,1035 0.528,1036 10.668,1037 2.581,1038 6.33,1039 7.947,1041 12.439,1042 5.955,1043 10.174,1044 0.423,1045 12.43,1046 1.395,1047 7.849,1048 9.889,1049 0.597,1050 15.115,1051 7.438,1052 11.586,1054 14.225,1055 0.62,1056 8.638,1057 10.969,1059 17.327,1060 8.126,1061 13.02,1062 -0.408,1063 16.045,1065 9.934,1066 12.665,1067 0.47,1068 19.854,1069 9.378,1070 3.278,1071 -0.559,1072 17.885,1073 -0.922,1074 10.928,1075 13.973,1077 22.224,1078 10.278,1079 2.661,1080 11.765,1081 19.742,1082 -1.345,1083 12.138,1084 15.563,1085 0.367,1086 24.706,1087 11.432,1088 2.62,1089 8.042,1090 21.613,1091 4.631,1092 13.23,1093 16.985,1095 27.135,1096 12.437,1097 2.247,1098 7.687,1099 23.496,1100 3.677,1101 14.411,1102 18.533,1103 0.283,1104 29.604,1105 13.554,1106 2.053,1107 6.738,1108 25.389,1109 3.653,1110 15.55,1111 20.01,1113 32.056,1114 14.61,1115 1.745,1116 5.938,1117 27.29,1118 3.042,1119 16.725,1120 21.542,1121 0.217,1122 34.521,1123 15.715,1124 1.521,1125 4.951,1126 29.197,1127 2.66,1128 17.886,1129 23.046,1131 36.981,1132 16.796,1133 6375,1134 11271,1135 19.186,1136 26.989,1137 41.886,1138 41.934,1139 43.068,1140 41.589,1141 41.594,1142 57.965,1143 2.52,1144 119.367,1145 38.818,1146 5.477,1147 5.372,1148 6.621,1149 5.305,1150 5.278,1151 7.631,1152 1.72,1153 18.955,1154 5.044,1155 9.164,1156 1.496,1157 1.498,1158 1.538,1159 1.485,1160 1.486,1161 2.07,1162 0.09,1163 4.263,1164 1.386,1165 4.134,1166 4.18,1167 4.113,1168 3.996,1169 6.471,1170 4.017,1171 3.882,1172 3.908,1173 3.824,1174 3.806,1175 5.184,1176 3.806,1177 3.748,1178 3.802,1179 3.72,1180 3.505,1181 4.972,1182 3.555,1183 3.392,1184 3.451,1185 3.318,1186 3.189,1187 4.645,1188 3.218,1189 3.207,1190 3.285,1191 3.033,1192 2.913,1193 4.486,1194 2.923,1195 2.978,1196 3.03,1197 2.882,1198 2.786,1199 4.321,1200 2.796,1201 2.916,1202 2.974,1203 2.803,1204 2.771,1205 3.953,1206 2.768,1207 2.897,1208 2.959,1209 2.762,1210 2.745,1211 3.811,1212 2.742,1213 0.168,1214 0.12,1215 0.248,1216 0.15,1217 0.117,1218 4.694,1219 0.165,1220 3.372,1221 0.031,1222 6.941,1223 0.42,1224 4.205,1225 0.109,1226 3.278,1227 4.631,1228 0.86,1229 11.765,1230 3.044,1231 1.923,1232 1.893,1233 2.012,1234 2.053,1235 1.119,1236 2.033,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.651,1244 1.594,1245 1.717,1246 1.895,1247 0.651,1248 1.856,1249 1.326,1250 1.265,1251 1.555,1252 1.613,1253 0.572,1254 1.58,1255 1.152,1256 1.066,1257 1.384,1258 1.464,1259 0.332,1260 1.465,1261 0.945,1262 0.89,1263 1.157,1264 1.163,1265 0.212,1266 1.146,1267 0.899,1268 0.848,1269 1.125,1270 1.127,1271 0.181,1272 1.128,1273 0.883,1274 0.832,1275 1.1,1276 1.085,1277 0.135,1278 1.103,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.844,1285 8.496,1286 7.05,1287 10.157,1289 1.497,1294 9.669,1296 3.189,1297 5.089,1305 26.665,1306 65.831,1307 140.846,1308 172.621,1309 196.621,1310 201.376,1311 201.376,1312 28.188,1313 7.452,1314 97.98,1315 97.98,1316 23,1317 12.57,1318 4.524,1319 3.585,1320 35.566,1321 77,1322 83,1323 0.22,1324 163.751,1325 266.8,1326 391.312,1327 16674,1329 17.225,1330 0.689,1331 0.532,1332 17.225,1333 13.288,1334 12.242,1335 0.437,1336 0.268,1337 7.355,1338 11.623,1339 7.217,1340 6.016,1341 12.242,1342 7.514,1343 10.856,1344 0.278,1345 0.134,1346 10.856,1347 5.207,1348 9.238,1349 0.174,1350 0.068,1351 9.238,1352 3.583,1353 8.174,1354 0.11,1355 0.034,1356 8.174,1357 2.504,1358 6.705,1359 0.071,1360 0.017,1361 6.705,1362 1.651,1363 0.333,1364 77.775,1365 0.228,1366 23.746,1367 0.648,1368 134,1369 436.444,1370 152.331,1371 421.628,1372 587.65,1373 396,1374 159,1375 449.618,1376 177.168,1377 453.761,1378 666.32,1379 425,1380 5.77}
{0 CHEMBL1762781,1 1.608,2 8.042,3 3.505,4 12.287,5 91.32,6 8.378,7 0.815,8 3.789,9 3.91,10 3.452,11 3.32,12 5.037,13 3.34,14 4.22,15 4.365,16 3.821,17 3.686,18 5.471,19 3.688,20 4.437,21 4.626,22 3.817,23 3.749,24 5.586,25 3.738,26 4.451,27 4.664,28 3.786,29 3.711,30 5.6,31 3.682,32 4.401,33 4.61,34 3.749,35 3.7,36 5.525,37 3.689,38 4.409,39 4.604,40 3.79,41 3.769,42 5.617,43 3.73,44 4.422,45 4.628,46 3.621,47 3.743,48 5.554,49 3.677,50 4.362,51 4.594,52 3.384,53 3.571,54 5.499,55 3.463,56 0.09,57 0.637,58 6.281,59 2.719,60 11.859,61 3.142,62 0.206,63 0.982,64 10.169,65 4.572,66 14.629,67 5.602,68 0.262,69 1.128,70 15.157,71 5.193,72 27.485,73 6.482,74 0.36,75 1.125,76 16.542,77 5.804,78 30.477,79 7.753,80 0.318,81 1.086,82 15.531,83 4.714,84 28.946,85 5.945,86 0.343,87 1.097,88 14.802,89 5.743,90 28.656,91 7.562,92 0.242,93 1.047,94 15.587,95 5.956,96 26.553,97 7.65,98 0.223,99 0.905,100 16.253,101 6.463,102 30.064,103 8.806,104 5,105 38,106 0.282,107 0.582,108 0.748,109 0.889,110 0.911,111 0.911,112 3.23,113 0.813,114 -4.56,115 -4.48,116 -4.22,119 44.7,142 9,144 2,146 1,147 2,148 1,152 1,162 1,163 1,164 1,165 1,172 5,174 3,175 5,177 1,178 3,180 5,183 5,185 1,187 4,192 2,195 2,198 2,199 8,201 2,202 3,203 1,204 5,207 1,212 4,217 2,220 2,223 1,224 6,226 1,227 4,228 1,229 1,231 1,232 7,234 1,237 3,242 2,245 7,247 2,250 4,253 1,255 6,258 5,260 3,263 1,268 3,271 2,273 1,275 830,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 19.086,283 9.801,284 16.858,285 13.392,286 13.392,287 13.392,288 13.392,289 13.392,290 9.5,291 28.171,292 4.713,293 14.113,294 3.639,295 1.928,296 0.981,297 0.178,298 0.053,299 0.053,300 3.93,303 1,304 1,305 1,306 423,307 2.236,310 45.52,311 188.534,314 89.747,318 1.132,319 19.99,320 1,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52,331 193,332 4.693,333 3.369,334 6.94,335 4.209,336 3.277,337 4.631,338 0.4,339 11.763,340 3.056,341 4.048,342 2.821,343 5.821,344 3.625,345 2.659,346 3.663,348 7.975,349 2.567,350 4.02,351 2.647,352 5.587,353 3.536,354 2.585,355 3.649,357 7.657,358 2.454,359 3.604,360 2.389,361 5.24,362 3.158,363 2.216,364 3.022,366 6.431,367 2.08,368 3.357,369 2.199,370 4.949,371 2.948,372 2.017,373 2.643,375 5.686,376 1.875,377 3.154,378 1.848,379 4.661,380 2.679,381 1.734,382 2.423,384 4.93,385 1.634,386 2.966,387 1.51,388 4.507,389 2.442,390 1.492,391 2.178,393 4.259,394 1.415,395 2.832,396 1.384,397 3.629,398 2.343,399 1.358,400 1.985,402 2.966,403 1.335,404 2.662,405 1.22,406 3.519,407 2.17,408 1.186,409 1.738,411 2.608,412 1.166,413 2.638,414 1.183,415 3.479,416 2.092,417 1.159,418 1.704,420 2.573,421 1.078,422 1.995,423 0.549,424 3.389,425 1.472,426 0.521,427 0.76,428 1.389,429 0.494,430 1.295,431 0.145,432 2.921,433 0.941,438 0.963,439 -0.057,440 2.478,441 0.531,442 -0.392,443 -0.499,445 -0.873,446 -0.359,447 0.905,448 -0.246,449 2.263,450 0.505,451 -0.418,452 -0.521,454 -0.949,455 -0.382,456 0.778,457 -0.465,458 2,459 0.353,460 -0.596,461 -0.775,463 -1.611,464 -0.563,465 11.233,466 0.468,467 0.554,468 0.023,469 38.25,470 1.594,471 21.5,472 0.896,473 16.75,474 0.698,475 13.685,476 0.57,477 24.167,478 0.636,479 26.732,480 1.114,481 7.667,482 0.319,483 4.037,484 0.168,485 0.065,487 0.347,493 1.104,494 1.279,495 0.734,496 0.888,497 1.118,498 0.766,499 0.615,500 1.052,501 0.749,502 1.037,503 0.546,504 0.942,505 1.282,506 1.257,507 1.031,508 1.011,509 1.077,510 0.973,511 0.78,512 1.018,513 0.891,514 0.985,515 0.665,516 0.963,517 1.389,518 1.015,519 1.051,520 0.75,521 1.008,522 0.801,523 0.59,524 0.895,525 0.909,526 0.962,527 0.552,528 0.984,529 1.014,530 0.945,531 1.157,532 1.079,533 1.007,534 1.121,535 0.703,536 1.069,537 1.063,538 1.304,539 0.862,540 1.268,541 4.5,542 0.025,543 2,544 2.167,545 1.077,546 0.737,547 0.475,548 0.342,549 0.192,550 0.111,551 6030,552 17540,553 2.161,554 36.8,556 9,558 1,559 4,564 1.677,565 2.057,566 3.036,567 1.819,569 1,571 1,573 61.122,574 1.608,575 3.32,576 4.267,577 5.07,578 5.195,579 5.195,580 2.428,581 4.585,582 4.556,583 3.174,584 875.899,585 7.905,586 10110.9,587 1,588 1,589 1,590 1,591 199.421,592 1.281,593 4.532,594 0.167,595 0.006,596 0.053,597 0.059,598 0.031,599 0.021,600 0.013,601 0.011,602 0.009,603 0.009,604 0.378,605 0.17,606 1,607 0.49,608 111.57,609 -0.21,610 -0.153,611 0.007,612 0.038,613 -0.268,614 0.058,615 0.22,616 0.061,617 0.034,618 -0.111,619 0.112,620 -0.091,621 -0.26,622 -0.211,623 -0.123,624 -0.091,625 -0.193,626 -0.08,627 0.175,628 -0.007,629 0.073,630 -0.043,631 0.131,632 -0.018,633 -0.353,634 0.048,635 -0.112,636 0.152,637 -0.198,638 0.09,639 0.227,640 0.137,641 -0.011,642 -0.003,643 0.172,644 -0.045,645 -0.192,646 0.035,647 -0.229,648 -0.09,649 -0.159,650 -0.142,651 0.112,652 -0.205,653 -0.041,654 -0.251,655 0.13,656 -0.187,657 1.492,658 3.649,659 0.875,660 17.951,661 1.012,662 1.128,663 3.327,664 11.069,665 0.698,666 3.332,667 3.664,668 3.951,669 4.29,670 4.533,671 4.635,672 4.787,673 4.956,674 4.963,675 4.997,676 5.21,677 0.683,678 318.37,679 3.332,680 4.875,681 5.733,682 6.627,683 7.507,684 8.412,685 9.303,686 10.214,687 11.112,688 12.026,689 15.8,693 1,697 2,699 3,703 2,704 10,705 3,709 5,710 1,711 22,722 1,724 1,728 1,731 38,733 22,734 2,735 27,737 41,738 17,739 17,740 4,741 8,746 4,747 5,761 17,777 1,778 1,781 14,782 6,783 4,784 7,787 1,790 6,794 0.75,795 1,806 1,811 1,812 3,815 1,840 3,848 24,849 1,853 1,855 1,870 2.6,872 1,877 11.667,878 6.667,879 5.194,880 2.026,881 4.165,882 1.566,883 1.028,884 3.612,885 11.523,886 3.664,887 4.334,888 4.974,889 5.65,890 6.221,891 6.558,892 7.044,893 7.551,894 7.841,895 8.23,896 1,897 37,898 8.769,900 3.757,901 7.799,902 16.473,904 13.414,905 2.299,906 55.167,910 117.711,911 107.505,912 103.164,914 42.683,917 107.505,918 160.394,919 103.164,922 118.183,923 104.811,924 35.328,925 6.8,926 105.94,928 117.711,929 210.668,930 42.683,933 117.711,934 42.683,937 32.572,938 127.74,939 50.357,941 117.711,942 145.847,943 107.505,946 117.711,947 13.6,948 95.804,949 18.011,950 125.937,951 117.711,952 145.847,953 107.505,955 0.579,956 0.333,957 0.195,958 0.111,959 20,960 8,961 0.073,962 3,963 1,964 1.095,965 3.6,966 206,967 0.095,968 21,969 110.039,974 14.632,975 5.924,976 2.838,977 1.704,978 143.948,979 17.662,980 12.842,984 2.447,985 1.859,986 93.591,987 371.063,988 38,999 38.473,1000 42.86,1001 0.306,1002 0.633,1003 0.813,1004 0.966,1005 0.99,1006 0.99,1007 4.879,1008 1.358,1009 5.714,1010 4.259,1011 4.344,1012 5.021,1013 0.278,1014 6.535,1015 4.238,1016 6.108,1017 1.186,1018 7.268,1019 2.966,1020 3.892,1021 4.808,1023 7.438,1024 3.701,1025 7.422,1026 1.159,1027 8.923,1028 2.608,1029 5.932,1030 7.299,1031 0.05,1032 10.596,1033 5.712,1034 8.775,1035 0.521,1036 10.642,1037 2.573,1038 6.312,1039 7.939,1041 12.417,1042 5.993,1043 10.161,1045 12.404,1046 1.389,1047 7.824,1048 9.881,1049 0.008,1050 15.099,1051 7.477,1052 11.573,1053 -0.392,1054 14.2,1056 8.618,1057 10.961,1059 17.315,1060 8.171,1061 13.006,1062 -0.418,1063 16.021,1064 -0.873,1065 9.913,1066 12.659,1067 0.001,1068 19.845,1069 9.425,1070 3.277,1071 -0.596,1072 17.863,1073 -0.949,1074 10.911,1075 13.967,1077 22.217,1078 10.328,1079 2.659,1080 11.763,1081 19.722,1082 -1.611,1083 12.121,1084 15.558,1086 24.7,1087 11.486,1088 2.585,1089 7.975,1090 21.596,1091 4.631,1092 13.215,1093 16.98,1095 27.131,1096 12.492,1097 2.216,1098 7.657,1099 23.481,1100 3.663,1101 14.398,1102 18.529,1104 29.601,1105 13.612,1106 2.017,1107 6.431,1108 25.375,1109 3.649,1110 15.538,1111 20.006,1113 32.053,1114 14.67,1115 1.734,1116 5.686,1117 27.278,1118 3.022,1119 16.714,1120 21.539,1122 34.519,1123 15.778,1124 1.492,1125 4.93,1126 29.187,1127 2.643,1128 17.876,1129 23.043,1131 36.979,1132 16.862,1133 5717,1134 9872,1135 18.493,1136 26.534,1137 40.975,1138 40.337,1139 41.73,1140 40.489,1141 40.413,1142 56.792,1143 0.8,1144 116.477,1145 38.307,1146 5.476,1147 5.369,1148 6.621,1149 5.285,1150 5.277,1151 7.631,1152 0.8,1153 18.951,1154 5.056,1155 8.77,1156 1.518,1157 1.494,1158 1.546,1159 1.5,1160 1.497,1161 2.103,1162 0.03,1163 4.314,1164 1.419,1165 4.139,1166 4.184,1167 4.116,1168 4.005,1169 6.471,1170 4.025,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.22,1176 3.806,1177 3.781,1178 3.837,1179 3.737,1180 3.619,1181 5.022,1182 3.642,1183 3.385,1184 3.449,1185 3.313,1186 3.194,1187 4.682,1188 3.22,1189 3.005,1190 3.106,1191 2.908,1192 2.797,1193 4.645,1194 2.809,1195 2.953,1196 3.019,1197 2.84,1198 2.772,1199 4.325,1200 2.774,1201 2.906,1202 2.973,1203 2.776,1204 2.745,1205 3.886,1206 2.742,1207 2.896,1208 2.959,1209 2.762,1210 2.647,1211 3.808,1212 2.669,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.121,1218 4.693,1219 0.172,1220 3.369,1221 0.015,1222 6.94,1223 0.436,1224 4.209,1225 0.113,1226 3.277,1227 4.631,1228 0.4,1229 11.763,1230 3.056,1231 1.932,1232 1.901,1233 2.018,1234 2.062,1235 1.128,1236 2.044,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.738,1244 1.689,1245 1.824,1246 1.911,1247 0.811,1248 1.897,1249 1.329,1250 1.262,1251 1.425,1252 1.602,1253 0.433,1254 1.557,1255 0.965,1256 0.907,1257 1.181,1258 1.266,1259 0.218,1260 1.25,1261 0.899,1262 0.848,1263 1.152,1264 1.156,1265 0.185,1266 1.14,1267 0.883,1268 0.833,1269 1.125,1270 1.123,1271 0.135,1272 1.127,1273 0.851,1274 0.749,1275 1.101,1276 1.085,1277 0.018,1278 1.103,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.469,1286 7.05,1287 10.131,1293 5.793,1294 9.649,1296 3.211,1305 25.95,1306 61.122,1307 126.163,1308 162.137,1309 192.666,1310 197.421,1311 197.421,1312 28.235,1313 7.358,1314 101.88,1315 101.88,1316 23,1317 12.542,1318 4.524,1319 3.585,1320 33.53,1321 72,1322 73,1323 0.224,1324 159.755,1325 258.01,1326 381.561,1327 14757,1329 16.518,1330 0.688,1331 0.524,1332 16.518,1333 12.587,1334 11.704,1335 0.433,1336 0.271,1337 7.209,1338 11.251,1339 7.096,1340 5.893,1341 11.704,1342 7.32,1343 10.687,1344 0.281,1345 0.138,1346 10.687,1347 5.236,1348 8.814,1349 0.173,1350 0.07,1351 8.814,1352 3.566,1353 7.952,1354 0.11,1355 0.035,1356 7.952,1357 2.538,1358 6.462,1359 0.07,1360 0.018,1361 6.462,1362 1.685,1363 0.338,1364 73.312,1365 0.233,1366 22.896,1367 0.663,1368 130,1369 378.375,1370 144.093,1371 376.236,1372 527.69,1373 352,1374 154,1375 409.101,1376 168.012,1377 414.697,1378 606.77,1379 391,1380 6}
{0 CHEMBL1762782,1 1.625,2 9.964,3 3.819,4 14.581,5 103.183,6 8.464,7 0.71,8 3.923,9 4.045,10 3.595,11 3.436,12 5.182,13 3.461,14 4.381,15 4.547,16 3.958,17 3.785,18 5.627,19 3.791,20 4.573,21 4.772,22 3.97,23 3.847,24 5.76,25 3.852,26 4.573,27 4.779,28 3.991,29 3.826,30 5.782,31 3.826,32 4.565,33 4.767,34 3.982,35 3.854,36 5.776,37 3.869,38 4.623,39 4.817,40 4.048,41 3.967,42 5.826,43 3.949,44 4.7,45 4.911,46 3.95,47 4,48 5.867,49 3.952,50 4.671,51 4.893,52 3.784,53 3.918,54 5.848,55 3.832,56 0.103,57 0.752,58 6.931,59 3.086,60 13.102,61 3.627,62 0.318,63 1.154,64 12.574,65 5.299,66 20.014,67 6.676,68 0.37,69 1.301,70 17.574,71 5.474,72 43.036,73 6.98,74 0.452,75 1.311,76 17.718,77 5.789,78 37.929,79 7.671,80 0.449,81 1.324,82 17.316,83 4.753,84 42.284,85 5.872,86 0.424,87 1.391,88 17.909,89 6.507,90 33.301,91 8.574,92 0.407,93 1.418,94 20.463,95 7.272,96 40.898,97 9.42,98 0.386,99 1.29,100 20.932,101 7.988,102 49.729,103 10.781,104 13,105 43,106 0.275,107 0.649,108 0.78,109 0.88,110 0.898,111 0.898,112 3.376,113 0.824,114 -4.28,115 -4.22,116 -3.98,119 43.2,120 1,125 1,142 8,144 2,146 1,149 1,150 2,152 1,158 1,162 1,172 5,174 6,175 4,178 4,180 4,183 5,187 4,190 1,192 2,195 2,198 3,199 10,202 4,203 1,204 5,211 2,212 6,217 2,223 1,224 10,227 4,228 1,229 2,232 5,236 2,237 5,242 2,245 8,250 5,253 2,255 5,258 7,262 1,263 2,266 1,268 3,271 3,275 1354,276 19.179,277 19.179,278 19.179,279 19.179,280 19.179,281 16.353,282 25.144,283 11.617,284 19.713,285 15.357,286 15.357,287 15.357,288 15.357,289 15.357,290 11.047,291 40.405,292 5.561,293 16.31,294 3.834,295 1.627,296 0.852,297 0.262,298 0.154,299 0.154,300 4.074,303 1,304 1,305 1,306 601,307 2.915,310 56.026,311 230.304,314 109.615,318 1.398,319 26.614,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 61,331 279,332 4.698,333 4.043,334 6.943,335 4.21,336 3.284,337 4.634,338 2.436,339 11.779,340 3.048,341 4.145,342 3.377,343 5.873,344 3.656,345 2.736,346 3.813,347 0.4,348 8.294,349 2.567,350 4.048,351 2.865,352 5.627,353 3.619,354 2.653,355 3.655,356 0.379,357 7.73,358 2.508,359 3.657,360 2.794,361 5.429,362 3.21,363 2.268,364 3.082,366 6.995,367 2.128,368 3.505,369 2.407,370 5.08,371 2.994,372 2.072,373 2.666,375 6.004,376 1.908,377 3.37,378 2.315,379 4.798,380 2.912,381 1.983,382 2.563,384 5.398,385 1.838,386 3.276,387 2.225,388 4.663,389 2.677,390 1.732,391 2.423,393 4.938,394 1.631,395 3.153,396 1.851,397 4.533,398 2.425,399 1.474,400 2.14,402 4.286,403 1.398,404 2.932,405 1.631,406 3.629,407 2.343,408 1.363,409 1.986,411 2.965,412 1.335,413 2.832,414 1.458,415 3.495,416 2.306,417 1.357,418 1.972,420 2.594,421 1.283,422 2.654,423 1.381,424 3.451,425 2.167,426 1.177,427 1.726,428 2.578,429 1.163,430 2.003,431 1.212,432 3.409,433 1.472,434 0.529,435 0.768,436 1.421,437 0.498,438 1.909,439 0.563,440 2.922,441 1.177,442 0.274,443 0.398,445 0.447,446 0.247,447 1.295,448 0.218,449 2.637,450 0.94,456 0.971,457 0.144,458 2.564,459 0.547,460 -0.388,461 -0.496,463 -0.921,464 -0.36,465 13.033,466 0.465,467 0.623,468 0.022,469 44.25,470 1.58,471 24.5,472 0.875,473 19.75,474 0.705,475 18.038,476 0.644,477 28.367,478 0.645,479 32.709,480 1.168,481 8.765,482 0.313,483 4.871,484 0.174,485 0.095,487 0.338,493 1.035,494 1.431,495 0.708,496 1.017,497 0.787,498 0.84,499 0.527,500 0.941,501 0.712,502 1.006,503 0.471,504 0.922,505 1.322,506 1.239,507 1.002,508 0.953,509 1.078,510 0.912,511 0.891,512 1.1,513 0.891,514 0.983,515 0.688,516 0.943,517 1.498,518 1.027,519 1.093,520 0.72,521 0.859,522 0.784,523 0.741,524 1.024,525 0.889,526 0.953,527 0.531,528 0.941,529 1.036,530 0.917,531 1.124,532 1.005,533 0.816,534 1.056,535 0.778,536 1.036,537 1.124,538 1.234,539 0.912,540 1.245,541 5.5,542 0.082,543 2,544 2.479,545 1.308,546 1.025,547 0.714,548 0.496,549 0.281,550 0.2,551 8970,552 27784,553 2.115,554 36.4,556 10,559 3,560 3,564 1.719,565 2,566 3.269,567 0.988,569 1,573 71.504,574 1.625,575 3.832,576 4.607,577 5.198,578 5.306,579 5.306,580 2.717,581 4.664,582 4.774,583 3.411,584 1289.23,585 8.352,586 16644.7,588 1,590 1,591 240.215,592 1.333,593 4.748,594 0.177,595 0.006,596 0.047,597 0.058,598 0.03,599 0.023,600 0.015,601 0.012,602 0.008,603 0.008,604 0.385,605 0.17,606 1,607 1.032,608 138.188,609 -0.175,610 -0.293,611 0.023,612 -0.063,613 -0.112,614 0.002,615 0.35,616 0.166,617 0.112,618 -0.069,619 0.105,620 -0.046,621 -0.262,622 -0.187,623 -0.077,624 -0.04,625 -0.203,626 -0.022,627 0.135,628 -0.047,629 0.046,630 -0.074,631 0.054,632 -0.046,633 -0.392,634 0.081,635 -0.184,636 0.142,637 -0.115,638 0.051,639 0.113,640 0.03,641 0.002,642 -0.001,643 0.095,644 -0.017,645 -0.173,646 0.09,647 -0.193,648 -0.029,649 -0.073,650 -0.09,651 0.043,652 -0.11,653 -0.143,654 -0.199,655 0.02,656 -0.202,657 1.522,658 3.738,659 0.75,660 25.286,661 1.015,662 1.133,663 3.049,664 9.297,665 0.694,666 3.466,667 3.784,668 4.06,669 4.407,670 4.654,671 4.796,672 4.963,673 5.147,674 5.198,675 5.263,676 5.956,677 0.682,678 372.43,679 3.466,680 5.004,681 5.855,682 6.746,683 7.623,684 8.528,685 9.418,686 10.33,687 11.228,688 12.144,689 18.2,694 1,697 2,698 1,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,724 2,728 1,731 44,733 23,734 2,735 31,737 47,738 19,739 16,740 4,741 8,746 4,747 5,752 1,760 1,761 16,762 2,778 1,781 16,782 8,783 3,784 9,787 1,790 8,794 0.75,795 1,811 1,812 3,815 1,822 1,840 3,844 1,848 28,853 1,854 1,855 2,861 1,866 1,868 1,870 2.3,872 1,877 14,878 8.317,879 6.194,880 2.456,881 4.413,882 1.573,883 0.993,884 4.859,885 12.109,886 3.807,887 4.434,888 5.051,889 5.724,890 6.301,891 6.673,892 7.162,893 7.676,894 8.008,895 8.406,896 0.857,897 43,898 10.234,900 4.319,901 7.869,902 19.108,904 15.232,905 2.369,906 66.333,909 1,910 153.024,911 118.413,912 136.122,914 42.683,917 118.413,918 195.708,919 136.122,920 8.825,921 2.106,922 75.81,923 144.438,924 60.097,925 5.942,926 153.024,928 153.024,929 254.535,930 42.683,933 155.352,934 42.683,937 69.742,938 97.313,939 85.153,941 153.024,942 178.805,943 118.413,946 153.024,947 17.176,948 86.534,949 52.623,950 140.885,951 153.024,952 178.805,953 118.413,955 0.57,956 0.325,957 0.192,958 0.111,959 21,960 9,961 0.106,962 5,963 1,964 1.095,965 3.906,966 251.622,967 0.095,968 21,969 134.606,974 17.873,975 7.613,976 3.795,977 1.566,978 176.906,979 14.361,980 17.723,984 2.487,985 1.769,986 78.705,987 450.243,988 44,999 44.676,1000 49.857,1001 0.298,1002 0.702,1003 0.844,1004 0.952,1005 0.972,1006 0.972,1007 5.034,1008 1.474,1009 5.832,1010 4.938,1011 4.466,1012 5.121,1013 2.601,1014 6.648,1015 4.344,1016 6.262,1017 1.363,1018 7.381,1019 4.286,1020 4.007,1021 4.913,1023 7.529,1024 3.792,1025 7.575,1026 1.357,1027 9.031,1028 2.965,1029 6.047,1030 7.379,1031 4.271,1032 10.687,1033 5.79,1034 8.923,1035 1.177,1036 10.743,1037 2.594,1038 6.415,1039 8.022,1041 12.477,1042 6.055,1043 10.301,1044 0.529,1045 12.498,1046 2.578,1047 7.926,1048 9.945,1049 6.039,1050 15.159,1051 7.526,1052 11.705,1053 0.274,1054 14.285,1055 1.421,1056 8.71,1057 11.028,1059 17.355,1060 8.208,1061 13.129,1063 16.098,1064 0.447,1065 10.002,1066 12.714,1067 7.818,1068 19.884,1069 9.452,1070 3.284,1071 -0.388,1072 17.932,1074 10.993,1075 14.023,1077 22.246,1078 10.347,1079 2.736,1080 11.779,1081 19.784,1082 -0.921,1083 12.2,1084 15.607,1085 9.599,1086 24.728,1087 11.496,1088 2.653,1089 8.294,1090 21.65,1091 4.634,1092 13.289,1093 17.027,1095 27.155,1096 12.495,1097 2.268,1098 7.73,1099 23.529,1100 3.813,1101 14.468,1102 18.57,1103 11.38,1104 29.624,1105 13.608,1106 2.072,1107 6.995,1108 25.418,1109 3.655,1110 15.604,1111 20.046,1113 32.075,1114 14.66,1115 1.983,1116 6.004,1117 27.316,1118 3.082,1119 16.777,1120 21.575,1121 13.161,1122 34.541,1123 15.762,1124 1.732,1125 5.398,1126 29.22,1127 2.666,1128 17.936,1129 23.077,1131 37.001,1132 16.84,1133 8649,1134 15358,1135 20.978,1136 30.546,1137 47.461,1138 49.015,1139 47.574,1140 45.843,1141 45.804,1142 63.655,1143 6.431,1144 130.855,1145 43.104,1146 5.486,1147 6.043,1148 6.805,1149 5.31,1150 5.284,1151 7.634,1152 4.873,1153 18.988,1154 5.048,1155 12.098,1156 1.531,1157 1.581,1158 1.535,1159 1.479,1160 1.478,1161 2.053,1162 0.207,1163 4.221,1164 1.39,1165 4.137,1166 4.184,1167 4.116,1168 3.998,1169 6.818,1170 4.019,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 6.471,1176 3.806,1177 3.803,1178 3.867,1179 3.768,1180 3.586,1181 5.143,1182 3.626,1183 3.501,1184 3.573,1185 3.421,1186 3.301,1187 4.936,1188 3.322,1189 3.387,1190 3.451,1191 3.308,1192 3.204,1193 4.645,1194 3.223,1195 3.098,1196 3.189,1197 2.954,1198 2.88,1199 4.334,1200 2.887,1201 2.976,1202 3.031,1203 2.889,1204 2.777,1205 4.172,1206 2.791,1207 2.92,1208 2.978,1209 2.823,1210 2.766,1211 4.006,1212 2.766,1213 0.152,1214 0.13,1215 0.224,1216 0.136,1217 0.106,1218 4.698,1219 0.149,1220 4.043,1221 0.079,1222 6.943,1223 0.38,1224 4.21,1225 0.098,1226 3.284,1227 4.634,1228 2.436,1229 11.779,1230 3.048,1231 1.925,1232 1.894,1233 2.013,1234 2.064,1235 1.12,1236 2.039,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.717,1244 1.655,1245 1.822,1246 1.929,1247 0.828,1248 1.909,1249 1.447,1250 1.378,1251 1.65,1252 1.691,1253 0.724,1254 1.675,1255 1.353,1256 1.284,1257 1.5,1258 1.6,1259 0.571,1260 1.583,1261 1.065,1262 0.987,1263 1.267,1264 1.326,1265 0.254,1266 1.327,1267 0.921,1268 0.861,1269 1.153,1270 1.157,1271 0.196,1272 1.137,1273 0.898,1274 0.847,1275 1.125,1276 1.125,1277 0.136,1278 1.123,1279 4.143,1281 5.46,1282 2.398,1283 6.971,1284 4.844,1285 8.578,1286 7.05,1287 10.239,1289 1.754,1294 9.738,1295 0.085,1296 6.054,1303 8.793,1304 2.002,1305 29.993,1306 71.504,1307 168.605,1308 202.705,1309 228.705,1310 233.46,1311 233.46,1312 37.478,1313 7.696,1314 124.57,1315 124.57,1316 23,1317 12.659,1318 4.585,1319 3.807,1320 42.022,1321 94,1322 124,1323 0.21,1324 186.673,1325 309.33,1326 447.243,1327 22789,1329 19.51,1330 0.697,1331 0.534,1332 19.51,1333 14.956,1334 13.635,1335 0.44,1336 0.275,1337 8.371,1338 13.054,1339 8.196,1340 6.82,1341 13.635,1342 8.513,1343 12.236,1344 0.285,1345 0.138,1346 12.236,1347 5.953,1348 9.88,1349 0.173,1350 0.069,1351 9.88,1352 3.924,1353 8.967,1354 0.111,1355 0.034,1356 8.967,1357 2.79,1358 7.285,1359 0.07,1360 0.018,1361 7.285,1362 1.835,1363 0.32,1364 85.738,1365 0.218,1366 26.253,1367 0.61,1368 148,1369 462.686,1370 166.423,1371 457.876,1372 635.16,1373 428,1374 174,1375 484.875,1376 192.036,1377 489.275,1378 715.27,1379 461,1380 7.646}
{0 CHEMBL1762783,1 1.608,2 8.615,3 3.986,4 15.889,5 97.103,6 8.08,7 0.759,8 3.899,9 4.027,10 3.531,11 3.403,12 5.111,13 3.419,14 4.359,15 4.527,16 3.912,17 3.766,18 5.589,19 3.76,20 4.563,21 4.773,22 3.921,23 3.819,24 5.69,25 3.815,26 4.548,27 4.759,28 3.926,29 3.789,30 5.728,31 3.779,32 4.536,33 4.741,34 3.896,35 3.805,36 5.683,37 3.808,38 4.602,39 4.813,40 3.949,41 3.902,42 5.786,43 3.874,44 4.636,45 4.851,46 3.828,47 3.928,48 5.739,49 3.869,50 4.615,51 4.844,52 3.622,53 3.836,54 5.726,55 3.724,56 0.089,57 0.724,58 7.742,59 3.109,60 12.126,61 3.945,62 0.289,63 1.114,64 13.538,65 5.586,66 22.568,67 7.34,68 0.305,69 1.255,70 19.059,71 5.587,72 32.556,73 7.856,74 0.432,75 1.255,76 18.538,77 5.669,78 35.933,79 7.952,80 0.364,81 1.257,82 18.059,83 4.644,84 33.372,85 6.458,86 0.446,87 1.321,88 19.506,89 6.212,90 39.765,91 8.716,92 0.32,93 1.299,94 20.466,95 6.924,96 33.616,97 9.497,98 0.331,99 1.175,100 20.982,101 7.825,102 41.302,103 10.957,104 11,105 41,106 0.276,107 0.634,108 0.773,109 0.876,110 0.895,111 0.895,112 3.305,113 0.846,114 -4.86,115 -4.77,116 -4.47,119 41.9,120 1,121 1,142 8,144 2,146 1,149 1,150 2,152 1,162 1,163 1,164 1,165 1,172 6,174 6,175 4,177 2,178 4,180 4,183 5,187 6,192 2,195 2,198 3,199 10,201 2,202 4,203 1,204 5,209 1,212 8,217 3,222 1,223 1,224 10,226 1,227 4,228 1,229 2,231 1,232 5,234 1,237 5,242 3,245 9,247 2,250 5,253 2,255 5,258 9,260 3,263 1,268 3,271 6,273 1,275 1062,276 17.765,277 17.765,278 17.765,279 17.765,280 17.765,281 15.146,282 22.724,283 10.487,284 18.231,285 14.319,286 14.319,287 14.319,288 14.319,289 14.319,290 10.34,291 33.476,292 4.971,293 15.17,294 3.819,295 1.729,296 0.919,297 0.314,298 0.204,299 0.204,300 4.003,303 1,304 1,305 1,306 485,307 2.55,310 50.415,311 208.256,314 99.094,318 1.26,319 23.631,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 56.5,331 224,332 4.698,333 3.377,334 6.943,335 4.21,336 3.283,337 4.634,338 0.4,339 11.778,340 3.048,341 4.142,342 2.867,343 5.871,344 3.655,345 2.73,346 3.812,348 8.273,349 2.567,350 4.048,351 2.795,352 5.624,353 3.619,354 2.653,355 3.655,357 7.727,358 2.516,359 3.651,360 2.407,361 5.421,362 3.208,363 2.262,364 3.081,366 6.948,367 2.133,368 3.377,369 2.301,370 5.073,371 2.985,372 2.053,373 2.662,375 5.971,376 1.91,377 3.289,378 2.145,379 4.778,380 2.878,381 1.959,382 2.541,384 5.317,385 1.799,386 3.154,387 1.844,388 4.663,389 2.675,390 1.731,391 2.423,393 4.938,394 1.629,395 2.931,396 1.474,397 4.533,398 2.406,399 1.456,400 2.131,402 4.279,403 1.38,404 2.832,405 1.382,406 3.628,407 2.343,408 1.358,409 1.984,411 2.964,412 1.335,413 2.654,414 1.212,415 3.493,416 2.167,417 1.177,418 1.726,420 2.59,421 1.163,422 1.999,423 0.593,424 3.436,425 1.488,426 0.538,427 0.77,428 1.426,429 0.51,430 1.584,431 0.487,432 2.922,433 1.388,434 0.426,435 0.482,436 0.638,437 0.409,438 1.295,439 0.145,440 2.818,441 0.94,447 0.963,448 -0.057,449 2.589,450 0.528,451 -0.39,452 -0.497,454 -0.921,455 -0.353,456 0.907,457 -0.245,458 2.286,459 0.497,460 -0.416,461 -0.519,463 -1.006,464 -0.378,465 12.133,466 0.467,467 0.623,468 0.024,469 39.75,470 1.529,471 21.5,472 0.827,473 18.25,474 0.702,475 17.203,476 0.662,477 26.867,478 0.625,479 28.856,480 1.11,481 7.732,482 0.297,483 4.903,484 0.189,485 0.102,487 0.363,493 1.079,494 1.392,495 0.755,496 0.988,497 1.111,498 0.841,499 0.43,500 0.943,501 0.682,502 1.028,503 0.457,504 0.931,505 1.291,506 1.28,507 0.92,508 0.925,509 1.059,510 0.858,511 0.913,512 1.069,513 0.912,514 0.959,515 0.766,516 0.934,517 1.562,518 1.175,519 1.121,520 0.807,521 1.158,522 0.847,523 0.858,524 0.924,525 0.955,526 0.861,527 0.738,528 0.899,529 1.107,530 0.963,531 1.141,532 1.011,533 0.983,534 1.055,535 0.749,536 1.037,537 1.156,538 1.277,539 0.814,540 1.289,541 5.5,542 0.062,543 2,544 2.479,545 1.308,546 0.941,547 0.612,548 0.468,549 0.25,550 0.166,551 7268,552 20342,553 2.124,554 39.5,555 3,556 8,559 4,560 2,564 1.7,565 2,566 3.109,567 1.773,569 1,573 69.132,574 1.608,575 3.697,576 4.507,577 5.112,578 5.223,579 5.223,580 2.505,581 4.624,582 4.671,583 3.251,584 1056.62,585 8.143,586 12898.2,588 1,590 1,591 233.329,592 1.37,593 4.637,594 0.19,595 0.008,596 0.049,597 0.06,598 0.033,599 0.024,600 0.015,601 0.013,602 0.009,603 0.01,604 0.409,606 1,607 0.721,608 124.338,609 -0.185,610 -0.22,611 0.02,612 -0.008,613 -0.248,614 0.034,615 0.429,616 0.183,617 0.16,618 -0.06,619 0.237,620 -0.024,621 -0.228,622 -0.23,623 0.024,624 -0.001,625 -0.151,626 0.05,627 0.149,628 0.01,629 0.028,630 -0.058,631 0.089,632 -0.047,633 -0.433,634 -0.054,635 -0.198,636 0.06,637 -0.252,638 -0.003,639 0.069,640 0.154,641 -0.035,642 0.07,643 0.076,644 0.014,645 -0.242,646 0.061,647 -0.217,648 -0.033,649 -0.151,650 -0.095,651 0.058,652 -0.106,653 -0.194,654 -0.244,655 0.09,656 -0.257,657 1.507,658 3.705,659 0.808,660 20.615,661 1.011,662 1.134,663 3.628,664 13.165,665 0.681,666 3.401,667 3.738,668 4.025,669 4.369,670 4.615,671 4.745,672 4.905,673 5.075,674 5.112,675 5.165,676 5.474,677 0.663,678 347.42,679 3.401,680 4.949,681 5.808,682 6.706,683 7.587,684 8.496,685 9.388,686 10.302,687 11.202,688 12.119,689 16.3,693 1,697 2,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,722 1,724 1,728 1,731 43,733 22,734 2,735 29,737 46,738 18,739 16,740 4,741 8,746 4,747 5,752 1,758 1,761 16,762 2,778 1,781 17,782 7,783 4,784 8,787 1,790 7,794 0.75,795 1,811 1,812 3,815 1,840 3,844 1,848 26,849 1,853 1,854 1,855 1,870 2.3,872 1,877 13,878 7.95,879 5.694,880 2.551,881 4.218,882 1.559,883 1.009,884 4.247,885 11.758,886 3.714,887 4.385,888 5.025,889 5.704,890 6.276,891 6.641,892 7.122,893 7.631,894 7.946,895 8.347,896 0.833,897 41,898 9.527,900 4.058,901 7.782,902 17.934,904 14.5,905 2.282,906 59.333,909 1,910 153.024,911 102.24,912 119.949,914 42.683,917 102.24,918 195.708,919 119.949,920 8.825,921 2.535,922 108.707,923 109.825,924 29.038,925 5.942,926 153.024,928 153.024,929 222.189,930 42.683,933 155.352,934 42.683,937 39.111,938 113.608,939 67.142,941 153.024,942 162.632,943 102.24,946 153.024,947 17.605,948 86.534,949 18.011,950 142.723,951 153.024,952 162.632,953 102.24,955 0.578,956 0.337,957 0.197,958 0.112,959 21,960 9,961 0.087,962 4,963 1,964 1.095,965 3.714,966 230.581,967 0.095,968 21,969 122.211,974 16.455,975 6.711,976 3.257,977 1.62,978 160.733,979 14.48,980 17.543,984 2.534,985 1.788,986 93.591,987 417.897,988 40,999 43.458,1000 48.774,1001 0.296,1002 0.681,1003 0.831,1004 0.942,1005 0.962,1006 0.962,1007 4.938,1008 1.456,1009 5.796,1010 4.938,1011 4.419,1012 5.072,1013 0.278,1014 6.624,1015 4.301,1016 6.17,1017 1.358,1018 7.356,1019 4.279,1020 4.007,1021 4.913,1023 7.529,1024 3.792,1025 7.49,1026 1.177,1027 9.013,1028 2.964,1029 6.019,1030 7.356,1031 0.05,1032 10.677,1033 5.769,1034 8.847,1035 0.538,1036 10.731,1037 2.59,1038 6.415,1039 8.022,1041 12.474,1042 6.06,1043 10.236,1044 0.426,1045 12.49,1046 1.426,1047 7.909,1048 9.937,1049 0.008,1050 15.154,1051 7.519,1052 11.649,1054 14.279,1055 0.638,1056 8.708,1057 11.028,1059 17.353,1060 8.213,1061 13.082,1062 -0.39,1063 16.093,1065 9.992,1066 12.711,1067 0.001,1068 19.881,1069 9.452,1070 3.283,1071 -0.416,1072 17.928,1073 -0.921,1074 10.989,1075 14.023,1077 22.245,1078 10.351,1079 2.73,1080 11.778,1081 19.781,1082 -1.006,1083 12.193,1084 15.605,1086 24.727,1087 11.498,1088 2.653,1089 8.273,1090 21.648,1091 4.634,1092 13.286,1093 17.027,1095 27.154,1096 12.499,1097 2.262,1098 7.727,1099 23.527,1100 3.812,1101 14.464,1102 18.57,1104 29.623,1105 13.611,1106 2.053,1107 6.948,1108 25.416,1109 3.655,1110 15.601,1111 20.045,1113 32.074,1114 14.664,1115 1.959,1116 5.971,1117 27.314,1118 3.081,1119 16.774,1120 21.574,1122 34.54,1123 15.765,1124 1.731,1125 5.317,1126 29.219,1127 2.662,1128 17.934,1129 23.076,1131 37,1132 16.843,1133 6965,1134 11802,1135 19.592,1136 29.301,1137 43.612,1138 43.24,1139 44.907,1140 43.368,1141 43.253,1142 59.799,1143 0.8,1144 125.695,1145 40.797,1146 5.482,1147 5.377,1148 6.624,1149 5.31,1150 5.283,1151 7.634,1152 0.8,1153 18.987,1154 5.048,1155 11.345,1156 1.504,1157 1.491,1158 1.549,1159 1.495,1160 1.491,1161 2.062,1162 0.028,1163 4.334,1164 1.407,1165 4.137,1166 4.184,1167 4.116,1168 3.998,1169 6.471,1170 4.019,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.267,1176 3.806,1177 3.802,1178 3.864,1179 3.763,1180 3.602,1181 5.022,1182 3.633,1183 3.434,1184 3.506,1185 3.334,1186 3.262,1187 4.68,1188 3.271,1189 3.329,1190 3.415,1191 3.173,1192 3.103,1193 4.645,1194 3.117,1195 3.001,1196 3.084,1197 2.908,1198 2.796,1199 4.327,1200 2.808,1201 2.94,1202 2.996,1203 2.834,1204 2.772,1205 4.063,1206 2.774,1207 2.897,1208 2.959,1209 2.762,1210 2.745,1211 3.818,1212 2.742,1213 0.162,1214 0.116,1215 0.239,1216 0.145,1217 0.113,1218 4.698,1219 0.16,1220 3.377,1221 0.014,1222 6.943,1223 0.406,1224 4.21,1225 0.105,1226 3.283,1227 4.634,1228 0.4,1229 11.778,1230 3.048,1231 1.925,1232 1.894,1233 2.014,1234 2.064,1235 1.122,1236 2.04,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.731,1244 1.67,1245 1.888,1246 1.93,1247 1.039,1248 1.917,1249 1.439,1250 1.367,1251 1.615,1252 1.674,1253 0.614,1254 1.677,1255 1.262,1256 1.181,1257 1.405,1258 1.556,1259 0.33,1260 1.527,1261 0.965,1262 0.905,1263 1.171,1264 1.239,1265 0.22,1266 1.223,1267 0.899,1268 0.848,1269 1.145,1270 1.145,1271 0.188,1272 1.133,1273 0.883,1274 0.833,1275 1.124,1276 1.086,1277 0.135,1278 1.11,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.844,1285 8.55,1286 7.05,1287 10.217,1289 1.955,1293 5.858,1294 9.705,1295 0.641,1296 3.209,1305 28.499,1306 69.132,1307 158.965,1308 193.82,1309 219.82,1310 224.574,1311 224.574,1312 33.092,1313 7.54,1314 114.77,1315 114.77,1316 23,1317 12.633,1318 4.524,1319 3.585,1320 37.633,1321 81,1322 85,1323 0.221,1324 176.141,1325 286.31,1326 421.545,1327 18459,1329 18.096,1330 0.696,1331 0.542,1332 18.096,1333 14.087,1334 12.635,1335 0.436,1336 0.282,1337 8.057,1338 12.136,1339 7.901,1340 6.583,1341 12.635,1342 8.181,1343 11.502,1344 0.281,1345 0.139,1346 11.502,1347 5.698,1348 9.492,1349 0.173,1350 0.07,1351 9.492,1352 3.867,1353 8.571,1354 0.11,1355 0.035,1356 8.571,1357 2.708,1358 6.975,1359 0.07,1360 0.018,1361 6.975,1362 1.798,1363 0.333,1364 79.219,1365 0.226,1366 24.489,1367 0.652,1368 140,1369 410.02,1370 157.035,1371 405.793,1372 572.16,1373 380,1374 166,1375 448.622,1376 182.676,1377 451.669,1378 665.89,1379 427,1380 6.469}
{0 CHEMBL1762784,1 1.587,2 9.222,3 4.442,4 19.734,5 101.704,6 7.858,7 0.733,8 3.956,9 4.086,10 3.565,11 3.46,12 5.142,13 3.468,14 4.429,15 4.603,16 3.938,17 3.826,18 5.622,19 3.809,20 4.646,21 4.867,22 3.947,23 3.885,24 5.727,25 3.865,26 4.632,27 4.856,28 3.972,29 3.85,30 5.776,31 3.831,32 4.605,33 4.816,34 3.944,35 3.863,36 5.739,37 3.866,38 4.659,39 4.864,40 4.018,41 3.969,42 5.835,43 3.939,44 4.729,45 4.949,46 3.889,47 4.001,48 5.825,49 3.942,50 4.72,51 4.956,52 3.736,53 3.942,54 5.793,55 3.829,56 0.077,57 0.763,58 8.727,59 3.426,60 11.766,61 4.518,62 0.289,63 1.177,64 15.398,65 6.201,66 24.492,67 8.336,68 0.294,69 1.333,70 21.75,71 6.355,72 33.986,73 9.312,74 0.426,75 1.335,76 21.402,77 6.441,78 37.918,79 9.431,80 0.396,81 1.341,82 20.252,83 4.702,84 37.444,85 6.945,86 0.406,87 1.408,88 20.905,89 6.775,90 37.949,91 9.732,92 0.374,93 1.427,94 23.207,95 7.078,96 39.723,97 10.039,98 0.318,99 1.301,100 24.109,101 8.911,102 43.886,103 12.761,104 12,105 42,106 0.269,107 0.632,108 0.782,109 0.878,110 0.896,111 0.896,112 3.341,113 0.868,114 -5.09,115 -4.99,116 -4.67,119 41.3,120 1,121 2,142 8,144 2,146 1,149 1,150 2,152 1,162 1,163 1,164 1,165 1,172 7,174 6,175 4,177 2,178 4,180 4,183 6,187 6,192 2,195 2,198 3,199 12,201 2,202 4,203 1,204 5,209 1,212 8,217 3,222 1,223 1,224 12,226 1,227 4,228 1,229 3,231 1,232 5,234 2,237 5,242 3,245 9,247 2,250 6,253 2,255 6,258 10,260 3,263 1,268 3,271 8,273 1,275 1201,276 18.472,277 18.472,278 18.472,279 18.472,280 18.472,281 15.853,282 22.724,283 11.092,284 18.938,285 14.857,286 14.857,287 14.857,288 14.857,289 14.857,290 10.9,291 33.476,292 5.267,293 15.702,294 3.936,295 1.791,296 0.902,297 0.337,298 0.234,299 0.234,300 4.039,304 1,305 1,306 537,307 2.739,310 53.145,311 219.04,314 104.229,318 1.358,319 24.33,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 58.5,331 249,332 4.698,333 3.377,334 6.943,335 4.21,336 3.284,337 4.634,338 0.4,339 11.779,340 3.048,341 4.144,342 2.873,343 5.873,344 3.66,345 2.735,346 3.813,348 8.293,349 2.567,350 4.048,351 2.798,352 5.626,353 3.62,354 2.653,355 3.655,357 7.73,358 2.524,359 3.653,360 2.41,361 5.428,362 3.214,363 2.267,364 3.082,366 6.99,367 2.141,368 3.381,369 2.315,370 5.079,371 3,372 2.066,373 2.664,375 6,376 1.926,377 3.301,378 2.154,379 4.795,380 2.898,381 1.976,382 2.552,384 5.387,385 1.82,386 3.154,387 1.844,388 4.663,389 2.675,390 1.732,391 2.423,393 4.938,394 1.629,395 2.933,396 1.478,397 4.533,398 2.411,399 1.461,400 2.132,402 4.284,403 1.385,404 2.832,405 1.382,406 3.628,407 2.343,408 1.358,409 1.984,411 2.964,412 1.335,413 2.654,414 1.213,415 3.493,416 2.167,417 1.177,418 1.726,420 2.59,421 1.164,422 2.142,423 1.051,424 3.437,425 2.02,426 1.043,427 1.12,428 1.796,429 1.017,430 1.995,431 0.557,432 3.163,433 1.469,434 0.525,435 0.764,436 1.41,437 0.495,438 1.295,439 0.145,440 2.922,441 0.94,447 1,448 -0.057,449 2.599,450 0.683,451 -0.273,452 -0.319,454 -0.506,455 -0.259,456 0.954,457 -0.091,458 2.318,459 0.527,460 -0.397,461 -0.504,463 -0.921,464 -0.363,465 12.633,466 0.468,467 0.623,468 0.023,469 40.25,470 1.491,471 21.5,472 0.796,473 18.75,474 0.694,475 18.923,476 0.701,477 28.167,478 0.612,479 29.507,480 1.093,481 7.732,482 0.286,483 5.403,484 0.2,485 0.098,487 0.348,493 1.065,494 1.399,495 0.776,496 1.013,497 1.09,498 0.872,499 0.426,500 0.97,501 0.714,502 1.058,503 0.447,504 0.963,505 1.234,506 1.253,507 0.902,508 0.927,509 1.029,510 0.861,511 0.843,512 1.097,513 0.828,514 0.944,515 0.697,516 0.89,517 1.718,518 1.106,519 1.162,520 0.721,521 1.285,522 0.797,523 0.812,524 1.064,525 0.925,526 0.955,527 0.679,528 0.947,529 1.314,530 0.924,531 1.242,532 0.949,533 1.164,534 1.039,535 0.68,536 1.052,537 1.045,538 1.221,539 0.733,540 1.201,541 5.5,542 0.074,543 2,544 2.479,545 1.308,546 1.025,547 0.652,548 0.468,549 0.281,550 0.176,551 8059,552 21671,553 2.12,554 41.3,555 5,556 8,559 4,560 2,564 1.71,565 2,566 3.182,567 1.734,569 1,573 73.011,574 1.587,575 3.732,576 4.621,577 5.186,578 5.29,579 5.29,580 2.648,581 4.533,582 4.724,583 3.325,584 1166.95,585 8.251,586 14644.7,588 1,590 1,591 254.084,592 1.352,593 4.694,594 0.183,595 0.007,596 0.048,597 0.059,598 0.031,599 0.024,600 0.014,601 0.012,602 0.009,603 0.009,604 0.396,606 1,607 0.881,608 131.145,609 -0.165,610 -0.212,611 0.025,612 -0.011,613 -0.216,614 0.03,615 0.432,616 0.158,617 0.149,618 -0.073,619 0.251,620 -0.035,621 -0.181,622 -0.214,623 0.059,624 0.011,625 -0.125,626 0.067,627 0.214,628 -0.038,629 0.138,630 -0.028,631 0.158,632 0.023,633 -0.491,634 0.047,635 -0.218,636 0.125,637 -0.324,638 0.031,639 0.114,640 0.033,641 -0.012,642 -0.011,643 0.134,644 -0.029,645 -0.349,646 0.145,647 -0.311,648 -0.006,649 -0.253,650 -0.114,651 0.101,652 -0.12,653 -0.085,654 -0.182,655 0.143,656 -0.166,657 1.503,658 3.732,659 0.778,660 22.908,661 1.007,662 1.135,663 3.861,664 14.905,665 0.675,666 3.434,667 3.761,668 4.043,669 4.394,670 4.635,671 4.779,672 4.934,673 5.124,674 5.153,675 5.226,676 5.691,677 0.653,678 361.45,679 3.434,680 4.977,681 5.832,682 6.727,683 7.606,684 8.514,685 9.405,686 10.319,687 11.217,688 12.135,689 15.2,693 1,697 2,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,722 1,724 1,728 1,731 46,733 22,734 2,735 30,737 49,738 19,739 16,740 4,741 8,746 4,747 5,752 1,758 2,761 16,762 3,778 1,781 19,782 7,783 4,784 8,787 1,790 7,794 0.75,795 1,811 1,812 3,815 1,840 3,844 1,848 27,849 1,853 1,854 2,855 1,870 2.2,872 1,877 13.5,878 8.45,879 5.944,880 2.801,881 4.238,882 1.556,883 1.002,884 4.712,885 11.858,886 3.738,887 4.398,888 5.031,889 5.714,890 6.284,891 6.656,892 7.136,893 7.652,894 7.963,895 8.373,896 1,897 42,898 9.909,900 4.205,901 7.753,902 18.751,904 15.167,905 2.253,906 60.833,909 1,910 176.567,911 104.774,912 119.949,914 42.683,917 104.774,918 219.25,919 119.949,920 8.825,921 5.069,922 108.707,923 109.825,924 29.038,925 5.942,926 176.567,928 176.567,929 224.724,930 42.683,933 178.894,934 42.683,937 41.646,938 113.608,939 67.142,941 176.567,942 162.632,943 104.774,946 176.567,947 20.139,948 86.534,949 18.011,950 142.723,951 176.567,952 162.632,953 104.774,955 0.573,956 0.329,957 0.197,958 0.112,959 21,960 9,961 0.102,962 5,963 1,964 1.095,965 3.806,966 241.345,967 0.095,968 21,969 128.382,974 17.403,975 7.311,976 3.606,977 1.629,978 160.733,979 14.523,980 17.74,984 2.599,985 1.802,986 93.591,987 443.973,988 41,999 46.342,1000 52.189,1001 0.287,1002 0.676,1003 0.837,1004 0.939,1005 0.958,1006 0.958,1007 4.959,1008 1.461,1009 5.814,1010 4.938,1011 4.443,1012 5.085,1013 0.278,1014 6.637,1015 4.328,1016 6.185,1017 1.358,1018 7.368,1019 4.284,1020 4.007,1021 4.913,1023 7.529,1024 3.792,1025 7.501,1026 1.177,1027 9.022,1028 2.964,1029 6.033,1030 7.36,1031 0.05,1032 10.684,1033 5.788,1034 8.855,1035 1.043,1036 10.738,1037 2.59,1038 6.415,1039 8.022,1041 12.477,1042 6.06,1043 10.241,1044 0.525,1045 12.495,1046 1.796,1047 7.919,1048 9.938,1049 0.008,1050 15.159,1051 7.532,1052 11.653,1054 14.283,1055 1.41,1056 8.71,1057 11.028,1059 17.355,1060 8.216,1061 13.085,1062 -0.273,1063 16.097,1065 9.998,1066 12.712,1067 0.001,1068 19.883,1069 9.461,1070 3.284,1071 -0.397,1072 17.931,1073 -0.506,1074 10.992,1075 14.023,1077 22.246,1078 10.356,1079 2.735,1080 11.779,1081 19.783,1082 -0.921,1083 12.198,1084 15.606,1086 24.728,1087 11.504,1088 2.653,1089 8.293,1090 21.65,1091 4.634,1092 13.289,1093 17.027,1095 27.155,1096 12.504,1097 2.267,1098 7.73,1099 23.529,1100 3.813,1101 14.467,1102 18.57,1104 29.624,1105 13.616,1106 2.066,1107 6.99,1108 25.418,1109 3.655,1110 15.604,1111 20.045,1113 32.075,1114 14.667,1115 1.976,1116 6,1117 27.315,1118 3.082,1119 16.777,1120 21.575,1122 34.541,1123 15.769,1124 1.732,1125 5.387,1126 29.22,1127 2.664,1128 17.936,1129 23.077,1131 37.001,1132 16.846,1133 7750,1134 12875,1135 20.285,1136 31.063,1137 45.069,1138 44.471,1139 46.369,1140 44.655,1141 44.554,1142 61.095,1143 0.8,1144 128.32,1145 42.099,1146 5.484,1147 5.377,1148 6.71,1149 5.31,1150 5.284,1151 7.634,1152 0.8,1153 18.987,1154 5.048,1155 11.727,1156 1.502,1157 1.482,1158 1.546,1159 1.489,1160 1.485,1161 2.036,1162 0.027,1163 4.277,1164 1.403,1165 4.138,1166 4.184,1167 4.116,1168 3.998,1169 6.471,1170 4.02,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.267,1176 3.806,1177 3.813,1178 3.875,1179 3.769,1180 3.627,1181 5.022,1182 3.651,1183 3.52,1184 3.599,1185 3.371,1186 3.342,1187 4.678,1188 3.345,1189 3.371,1190 3.44,1191 3.274,1192 3.166,1193 4.645,1194 3.19,1195 3.012,1196 3.124,1197 2.908,1198 2.799,1199 4.327,1200 2.809,1201 2.979,1202 3.046,1203 2.841,1204 2.772,1205 4.108,1206 2.774,1207 2.928,1208 2.983,1209 2.79,1210 2.745,1211 3.878,1212 2.742,1213 0.157,1214 0.113,1215 0.231,1216 0.14,1217 0.109,1218 4.698,1219 0.154,1220 3.377,1221 0.013,1222 6.943,1223 0.393,1224 4.21,1225 0.102,1226 3.284,1227 4.634,1228 0.4,1229 11.779,1230 3.048,1231 1.925,1232 1.895,1233 2.015,1234 2.065,1235 1.19,1236 2.042,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.117,1242 1.987,1243 1.753,1244 1.694,1245 1.945,1246 1.938,1247 1.051,1248 1.935,1249 1.523,1250 1.45,1251 1.674,1252 1.748,1253 0.662,1254 1.756,1255 1.306,1256 1.233,1257 1.431,1258 1.587,1259 0.528,1260 1.547,1261 0.97,1262 0.911,1263 1.323,1264 1.292,1265 0.263,1266 1.306,1267 0.958,1268 0.852,1269 1.165,1270 1.194,1271 0.199,1272 1.191,1273 0.899,1274 0.848,1275 1.133,1276 1.14,1277 0.154,1278 1.132,1279 4.111,1281 5.434,1282 2.398,1283 6.952,1284 4.844,1285 8.565,1286 7.05,1287 10.229,1289 2.057,1293 5.913,1294 9.732,1295 1.615,1296 3.223,1305 30.025,1306 73.011,1307 171.677,1308 212.574,1309 238.574,1310 243.329,1311 243.329,1312 36.025,1313 7.621,1314 114.77,1315 114.77,1316 23,1317 12.649,1318 4.524,1319 3.585,1320 39.79,1321 87,1322 104,1323 0.216,1324 185.734,1325 303.61,1326 444.95,1327 20545,1329 18.803,1330 0.696,1331 0.548,1332 18.803,1333 14.794,1334 13.135,1335 0.438,1336 0.289,1337 8.557,1338 12.636,1339 8.388,1340 7.011,1341 13.135,1342 8.681,1343 11.882,1344 0.283,1345 0.145,1346 11.882,1347 6.095,1348 9.611,1349 0.172,1350 0.072,1351 9.611,1352 4.024,1353 8.882,1354 0.111,1355 0.036,1356 8.882,1357 2.886,1358 7.065,1359 0.069,1360 0.018,1361 7.065,1362 1.865,1363 0.327,1364 82.219,1365 0.222,1366 25.355,1367 0.633,1368 144,1369 414.02,1370 161.035,1371 410.039,1372 577.96,1373 384,1374 170,1375 452.622,1376 186.676,1377 456.008,1378 672.15,1379 431,1380 5.456}
{0 CHEMBL1762785,1 1.588,2 8.12,3 3.461,4 11.979,5 93.412,6 8.107,7 0.786,8 3.852,9 3.976,10 3.489,11 3.381,12 5.071,13 3.393,14 4.3,15 4.456,16 3.872,17 3.743,18 5.523,19 3.74,20 4.513,21 4.71,22 3.868,23 3.81,24 5.654,25 3.8,26 4.517,27 4.724,28 3.864,29 3.797,30 5.657,31 3.764,32 4.513,33 4.721,34 3.815,35 3.806,36 5.628,37 3.785,38 4.565,39 4.782,40 3.887,41 3.89,42 5.706,43 3.839,44 4.561,45 4.769,46 3.722,47 3.877,48 5.673,49 3.804,50 4.527,51 4.765,52 3.502,53 3.742,54 5.61,55 3.619,56 0.078,57 0.676,58 7.278,59 3.039,60 11.605,61 3.729,62 0.193,63 1.049,64 12.294,65 5.21,66 16.164,67 6.749,68 0.293,69 1.217,70 17.391,71 5.279,72 31.989,73 6.916,74 0.327,75 1.206,76 17.848,77 6.34,78 29.125,79 8.677,80 0.341,81 1.217,82 17.727,83 5.075,84 32.342,85 6.679,86 0.355,87 1.243,88 19.272,89 7.199,90 33.307,91 10.014,92 0.271,93 1.211,94 18.458,95 6.655,96 29.745,97 8.777,98 0.22,99 1.059,100 19.782,101 7.859,102 33.877,103 10.937,104 10,105 40,106 0.275,107 0.617,108 0.749,109 0.878,110 0.898,111 0.898,112 3.268,113 0.83,114 -4.79,115 -4.71,116 -4.42,119 43.9,120 1,142 9,144 2,146 1,147 2,149 1,152 1,162 1,163 1,164 1,165 1,172 5,174 3,175 7,177 1,178 3,180 5,183 5,185 1,187 4,192 2,195 2,198 2,199 9,201 2,202 3,203 1,204 6,207 2,209 1,212 4,217 2,220 2,223 1,224 7,226 1,227 4,228 1,229 2,231 1,232 8,234 1,237 3,242 2,245 9,247 2,250 4,253 1,255 6,258 8,260 3,263 1,268 3,271 3,273 1,275 938,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.223,282 21.511,283 9.98,284 17.308,285 13.892,286 13.892,287 13.892,288 13.892,289 13.892,290 9.917,291 33.476,292 4.817,293 14.629,294 3.77,295 1.788,296 1.025,297 0.281,298 0.165,299 0.165,300 3.966,303 1,304 1,305 1,306 442,307 2.345,310 47.862,311 198.044,314 94.25,318 1.174,319 21.141,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 54,331 203,332 4.697,333 3.376,334 6.943,335 4.214,336 3.283,337 4.633,338 0.4,339 11.777,340 3.06,341 4.124,342 2.84,343 5.855,344 3.647,345 2.704,346 3.798,348 8.164,349 2.568,350 4.048,351 2.772,352 5.609,353 3.617,354 2.651,355 3.655,357 7.709,358 2.538,359 3.641,360 2.399,361 5.355,362 3.193,363 2.247,364 3.072,366 6.753,367 2.116,368 3.367,369 2.25,370 5.032,371 2.966,372 2.033,373 2.654,375 5.872,376 1.892,377 3.232,378 2.081,379 4.663,380 2.821,381 1.879,382 2.481,384 4.963,385 1.767,386 3.153,387 1.842,388 4.618,389 2.676,390 1.73,391 2.422,393 4.937,394 1.632,395 2.926,396 1.469,397 4.526,398 2.409,399 1.449,400 2.123,402 4.255,403 1.389,404 2.831,405 1.381,406 3.628,407 2.343,408 1.358,409 1.984,411 2.964,412 1.335,413 2.654,414 1.212,415 3.493,416 2.167,417 1.177,418 1.726,420 2.59,421 1.164,422 1.998,423 0.56,424 3.434,425 1.477,426 0.526,427 0.766,428 1.42,429 0.499,430 1.295,431 0.145,432 2.922,433 0.941,438 1,439 -0.057,440 2.604,441 0.604,442 -0.347,443 -0.445,445 -0.891,446 -0.328,447 0.953,448 -0.126,449 2.382,450 0.527,451 -0.402,452 -0.51,454 -0.922,455 -0.369,456 0.875,457 -0.261,458 2.283,459 0.464,460 -0.459,461 -0.576,463 -1.169,464 -0.423,465 11.733,466 0.469,467 0.661,468 0.026,469 38.75,470 1.55,471 21.5,472 0.86,473 17.25,474 0.69,475 15.801,476 0.632,477 25.467,478 0.621,479 27.808,480 1.112,481 7.724,482 0.309,483 4.374,484 0.175,485 0.105,487 0.375,493 1.088,494 1.291,495 0.756,496 0.921,497 1.132,498 0.804,499 0.558,500 1.13,501 0.682,502 1.048,503 0.485,504 0.919,505 1.458,506 1.18,507 1.078,508 0.9,509 1.199,510 0.904,511 0.742,512 1.123,513 0.865,514 1.047,515 0.61,516 0.991,517 1.526,518 1.021,519 1.185,520 0.795,521 1.166,522 0.883,523 0.499,524 0.895,525 0.777,526 0.907,527 0.459,528 0.891,529 1.134,530 0.942,531 1.251,532 1.075,533 1.04,534 1.148,535 0.636,536 1.052,537 1.033,538 1.277,539 0.781,540 1.24,541 5.5,542 0.037,543 2,544 2.479,545 1.188,546 0.879,547 0.612,548 0.427,549 0.237,550 0.15,551 6593,552 18475,553 2.13,554 39,556 9,559 4,560 3,564 1.689,565 2,566 3.041,567 1.776,569 1,571 1,573 65.091,574 1.588,575 3.569,576 4.332,577 5.077,578 5.193,579 5.193,580 2.428,581 4.023,582 4.616,583 3.195,584 958.61,585 8.028,586 11391.3,587 1,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.196,595 0.006,596 0.05,597 0.064,598 0.031,599 0.024,600 0.015,601 0.013,602 0.009,603 0.011,604 0.42,605 0.17,606 1,607 0.553,608 117.8,609 -0.186,610 -0.148,611 0.015,612 0.03,613 -0.271,614 0.052,615 0.283,616 -0.022,617 0.144,618 -0.097,619 0.186,620 -0.029,621 -0.337,622 -0.09,623 -0.156,624 -0.006,625 -0.265,626 -0.035,627 0.206,628 -0.091,629 0.074,630 -0.103,631 0.175,632 -0.057,633 -0.428,634 0.086,635 -0.258,636 0.085,637 -0.299,638 -0.021,639 0.286,640 0.104,641 0.163,642 0.081,643 0.248,644 0.094,645 -0.271,646 0.082,647 -0.338,648 -0.108,649 -0.208,650 -0.2,651 0.119,652 -0.18,653 -0.037,654 -0.222,655 0.139,656 -0.167,657 1.491,658 3.686,659 0.84,660 19.018,661 1.009,662 1.129,663 3.565,664 12.707,665 0.69,666 3.367,667 3.714,668 3.989,669 4.344,670 4.575,671 4.71,672 4.844,673 5.03,674 5.043,675 5.094,676 5.311,677 0.67,678 332.4,679 3.367,680 4.92,681 5.778,682 6.678,683 7.557,684 8.468,685 9.359,686 10.275,687 11.172,688 12.091,689 14.6,693 1,697 2,699 3,703 2,704 9,705 3,709 6,710 1,711 22,722 1,724 1,728 1,731 41,733 22,734 2,735 28,737 44,738 18,739 17,740 4,741 8,746 4,747 5,752 1,761 17,762 1,777 1,778 1,781 16,782 6,783 4,784 7,787 1,790 6,794 0.75,795 1,806 1,811 1,812 3,815 1,840 3,844 1,848 25,849 1,853 1,855 1,870 2.4,872 1,877 12.5,878 7.583,879 5.361,880 2.243,881 4.195,882 1.563,883 1.02,884 3.841,885 11.648,886 3.689,887 4.373,888 5.005,889 5.689,890 6.254,891 6.619,892 7.086,893 7.607,894 7.906,895 8.306,896 1,897 39,898 9.152,900 3.913,901 7.773,902 17.248,904 14.039,905 2.273,906 56.833,909 1,910 141.253,911 110.039,912 103.164,914 42.683,917 110.039,918 183.937,919 103.164,920 8.825,922 118.183,923 93.04,924 29.038,925 6.8,926 141.253,928 141.253,929 213.203,930 42.683,933 143.581,934 42.683,937 32.778,938 127.74,939 50.357,941 141.253,942 145.847,943 110.039,946 141.253,947 15.928,948 96.011,949 18.011,950 125.937,951 141.253,952 145.847,953 110.039,955 0.584,956 0.332,957 0.196,958 0.109,959 21,960 9,961 0.068,962 3,963 1,964 1.095,965 3.639,966 219.038,967 0.095,968 21,969 116.096,974 15.572,975 6.166,976 3.05,977 1.711,978 143.948,979 16.315,980 13.26,984 3.065,985 1.879,986 93.591,987 397.139,988 39,999 41.356,1000 46.275,1001 0.296,1002 0.666,1003 0.809,1004 0.948,1005 0.969,1006 0.969,1007 4.916,1008 1.449,1009 5.771,1010 4.937,1011 4.394,1012 5.059,1013 0.278,1014 6.6,1015 4.289,1016 6.155,1017 1.358,1018 7.331,1019 4.255,1020 4.007,1021 4.913,1023 7.499,1024 3.814,1025 7.477,1026 1.177,1027 8.989,1028 2.964,1029 5.994,1030 7.347,1031 0.05,1032 10.653,1033 5.77,1034 8.835,1035 0.526,1036 10.706,1037 2.59,1038 6.399,1039 8.014,1041 12.451,1042 6.075,1043 10.223,1045 12.465,1046 1.42,1047 7.886,1048 9.929,1049 0.008,1050 15.137,1051 7.533,1052 11.636,1053 -0.347,1054 14.255,1056 8.689,1057 11.021,1059 17.338,1060 8.235,1061 13.069,1062 -0.402,1063 16.07,1064 -0.891,1065 9.972,1066 12.705,1067 0.001,1068 19.87,1069 9.477,1070 3.283,1071 -0.459,1072 17.907,1073 -0.922,1074 10.972,1075 14.017,1077 22.236,1078 10.383,1079 2.704,1080 11.777,1081 19.761,1082 -1.169,1083 12.176,1084 15.6,1086 24.72,1087 11.534,1088 2.651,1089 8.164,1090 21.63,1091 4.633,1092 13.27,1093 17.022,1095 27.148,1096 12.541,1097 2.247,1098 7.709,1099 23.511,1100 3.798,1101 14.449,1102 18.565,1104 29.618,1105 13.657,1106 2.033,1107 6.753,1108 25.402,1109 3.655,1110 15.588,1111 20.041,1113 32.07,1114 14.714,1115 1.879,1116 5.872,1117 27.302,1118 3.072,1119 16.761,1120 21.571,1122 34.536,1123 15.82,1124 1.73,1125 4.963,1126 29.208,1127 2.654,1128 17.922,1129 23.073,1131 36.997,1132 16.902,1133 6289,1134 10655,1135 18.898,1136 28.296,1137 42.7,1138 41.963,1139 43.584,1140 42.159,1141 42.075,1142 58.629,1143 0.8,1144 122.807,1145 39.919,1146 5.48,1147 5.376,1148 6.624,1149 5.291,1150 5.283,1151 7.633,1152 0.8,1153 18.982,1154 5.06,1155 10.946,1156 1.525,1157 1.499,1158 1.557,1159 1.506,1160 1.503,1161 2.094,1162 0.029,1163 4.386,1164 1.426,1165 4.141,1166 4.186,1167 4.118,1168 4.006,1169 6.471,1170 4.027,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.209,1176 3.806,1177 3.81,1178 3.863,1179 3.766,1180 3.652,1181 5.022,1182 3.675,1183 3.397,1184 3.46,1185 3.322,1186 3.213,1187 4.671,1188 3.235,1189 3.198,1190 3.294,1191 3.017,1192 3.012,1193 4.645,1194 3,1195 2.999,1196 3.074,1197 2.908,1198 2.795,1199 4.326,1200 2.808,1201 2.936,1202 2.989,1203 2.831,1204 2.772,1205 3.93,1206 2.774,1207 2.897,1208 2.959,1209 2.762,1210 2.745,1211 3.81,1212 2.742,1213 0.168,1214 0.121,1215 0.248,1216 0.15,1217 0.117,1218 4.697,1219 0.165,1220 3.376,1221 0.014,1222 6.943,1223 0.421,1224 4.214,1225 0.109,1226 3.283,1227 4.633,1228 0.4,1229 11.777,1230 3.06,1231 1.934,1232 1.903,1233 2.02,1234 2.068,1235 1.13,1236 2.049,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.764,1244 1.716,1245 1.866,1246 1.926,1247 0.876,1248 1.917,1249 1.362,1250 1.294,1251 1.567,1252 1.62,1253 0.643,1254 1.588,1255 1.193,1256 1.111,1257 1.41,1258 1.454,1259 0.405,1260 1.474,1261 0.965,1262 0.905,1263 1.169,1264 1.224,1265 0.216,1266 1.212,1267 0.899,1268 0.848,1269 1.139,1270 1.143,1271 0.183,1272 1.132,1273 0.883,1274 0.833,1275 1.124,1276 1.086,1277 0.135,1278 1.107,1279 4.043,1281 5.38,1282 2.398,1283 6.907,1284 4.844,1285 8.525,1286 7.05,1287 10.192,1289 1.793,1293 5.894,1294 9.686,1296 3.231,1305 27.477,1306 65.091,1307 146.336,1308 177.621,1309 208.15,1310 212.905,1311 212.905,1312 30.843,1313 7.453,1314 101.88,1315 101.88,1316 23,1317 12.604,1318 4.524,1319 3.585,1320 35.55,1321 76,1322 79,1323 0.224,1324 169.347,1325 275.31,1326 404.967,1327 16530,1329 17.389,1330 0.696,1331 0.54,1332 17.389,1333 13.51,1334 12.097,1335 0.432,1336 0.277,1337 7.642,1338 11.647,1339 7.464,1340 6.213,1341 12.097,1342 7.751,1343 11.333,1344 0.283,1345 0.141,1346 11.333,1347 5.633,1348 9.052,1349 0.171,1350 0.07,1351 9.052,1352 3.736,1353 8.445,1354 0.111,1355 0.036,1356 8.445,1357 2.743,1358 6.579,1359 0.069,1360 0.018,1361 6.579,1362 1.766,1363 0.337,1364 75.583,1365 0.23,1366 23.666,1367 0.662,1368 136,1369 386.375,1370 150.759,1371 384.656,1372 541.96,1373 360,1374 161,1375 423.805,1376 175.345,1377 428.915,1378 628.51,1379 405,1380 7.377}
{0 CHEMBL1762786,1 1.56,2 8.042,3 3.669,4 13.458,5 88.398,6 8.138,7 0.815,8 3.799,9 3.915,10 3.449,11 3.357,12 4.999,13 3.363,14 4.255,15 4.408,16 3.818,17 3.712,18 5.449,19 3.705,20 4.46,21 4.657,22 3.812,23 3.769,24 5.579,25 3.753,26 4.446,27 4.65,28 3.777,29 3.743,30 5.556,31 3.706,32 4.43,33 4.636,34 3.746,35 3.749,36 5.514,37 3.722,38 4.455,39 4.657,40 3.777,41 3.823,42 5.573,43 3.767,44 4.46,45 4.666,46 3.616,47 3.804,48 5.53,49 3.721,50 4.41,51 4.643,52 3.375,53 3.648,54 5.464,55 3.517,56 0.05,57 0.62,58 6.67,59 3.02,60 8.098,61 3.629,62 0.167,63 0.986,64 11.561,65 4.949,66 13.876,67 6.292,68 0.248,69 1.15,70 16.479,71 5.316,72 27.898,73 6.739,74 0.277,75 1.124,76 16.448,77 5.9,78 25.37,79 7.848,80 0.266,81 1.112,82 16.361,83 5.218,84 25.732,85 6.695,86 0.29,87 1.116,88 16.512,89 6.406,90 26.188,91 8.619,92 0.201,93 1.078,94 16.68,95 6.542,96 22.943,97 8.506,98 0.171,99 0.939,100 17.421,101 7.309,102 27.853,103 10.01,104 5,105 38,106 0.272,107 0.604,108 0.752,109 0.88,110 0.901,111 0.901,112 3.23,113 0.838,114 -4.74,115 -4.66,116 -4.37,119 46.2,120 1,142 9,144 2,145 1,146 1,147 1,149 1,152 1,162 1,172 5,174 3,175 7,178 2,180 4,183 5,187 4,192 2,195 2,198 2,199 9,202 1,203 1,204 5,207 2,212 4,217 2,220 2,223 1,224 7,227 3,229 1,232 8,237 3,245 9,250 4,253 1,255 3,258 8,263 1,268 2,271 3,275 830,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 18.349,283 9.801,284 16.838,285 13.392,286 13.392,287 13.392,288 13.392,289 13.392,290 9.5,291 26.559,292 4.713,293 14.084,294 3.725,295 1.827,296 0.975,297 0.244,298 0.122,299 0.122,300 3.93,303 1,304 1,305 1,306 423,307 2.236,310 45.52,311 188.534,314 89.747,318 1.132,319 17.472,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 193,332 4.693,333 3.37,334 6.94,335 4.209,336 3.277,337 4.631,338 0.4,339 11.763,340 3.056,341 4.048,342 2.822,343 5.821,344 3.625,345 2.659,346 3.663,348 7.975,349 2.567,350 4.02,351 2.681,352 5.587,353 3.53,354 2.585,355 3.649,357 7.657,358 2.439,359 3.604,360 2.394,361 5.24,362 3.158,363 2.216,364 3.022,366 6.431,367 2.079,368 3.357,369 2.24,370 4.949,371 2.953,372 2.017,373 2.643,375 5.686,376 1.884,377 3.154,378 1.855,379 4.661,380 2.684,381 1.734,382 2.423,384 4.93,385 1.642,386 2.966,387 1.522,388 4.507,389 2.462,390 1.492,391 2.178,393 4.259,394 1.444,395 2.832,396 1.384,397 3.629,398 2.343,399 1.358,400 1.985,402 2.966,403 1.335,404 2.662,405 1.222,406 3.519,407 2.171,408 1.186,409 1.738,411 2.608,412 1.168,413 2.638,414 1.188,415 3.479,416 2.107,417 1.159,418 1.704,420 2.573,421 1.095,422 1.995,423 0.55,424 3.389,425 1.468,426 0.521,427 0.76,428 1.389,429 0.492,430 1.295,431 0.145,432 2.921,433 0.941,438 0.963,439 -0.057,440 2.478,441 0.563,442 -0.392,443 -0.499,445 -0.873,446 -0.367,447 0.905,448 -0.131,449 2.263,450 0.513,451 -0.418,452 -0.521,454 -0.949,455 -0.389,456 0.778,457 -0.46,458 2,459 0.348,460 -0.596,461 -0.775,463 -1.611,464 -0.559,465 11.333,466 0.472,467 0.554,468 0.023,469 37.5,470 1.563,471 21,472 0.875,473 16.5,474 0.688,475 14.603,476 0.608,477 24.067,478 0.617,479 25.813,480 1.076,481 7.501,482 0.313,483 4.203,484 0.175,485 0.074,487 0.344,493 1.001,494 1.321,495 0.724,496 0.963,497 0.994,498 0.831,499 0.627,500 1.129,501 0.732,502 1.033,503 0.562,504 0.926,505 1.435,506 1.168,507 1.052,508 0.892,509 1.185,510 0.892,511 0.878,512 1.13,513 0.936,514 1.018,515 0.707,516 0.988,517 1.389,518 1.012,519 1.069,520 0.786,521 1.027,522 0.84,523 0.612,524 0.909,525 0.898,526 0.93,527 0.531,528 0.948,529 1.005,530 0.899,531 1.186,532 1.072,533 0.966,534 1.131,535 0.596,536 1.019,537 1.045,538 1.284,539 0.76,540 1.255,541 4.5,542 0.025,543 2,544 2.167,545 1.077,546 0.737,547 0.475,548 0.342,549 0.192,550 0.111,551 6030,552 16528,553 2.161,554 38.5,556 9,558 1,559 2,560 3,564 1.677,565 2.057,566 3.036,567 0.296,569 1,571 1,573 60.859,574 1.56,575 3.458,576 4.31,577 5.042,578 5.163,579 5.163,580 2.428,581 4.585,582 4.556,583 3.174,584 875.899,585 7.905,586 10110.9,587 1,588 1,589 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.006,596 0.053,597 0.059,598 0.031,599 0.021,600 0.013,601 0.011,602 0.009,603 0.009,604 0.378,605 0.33,606 1,607 0.49,608 111.57,609 -0.123,610 -0.222,611 0.036,612 -0.032,613 -0.191,614 0.013,615 0.239,616 -0.034,617 0.094,618 -0.113,619 0.124,620 -0.058,621 -0.297,622 -0.084,623 -0.119,625 -0.219,626 -0.02,627 0.108,628 -0.09,629 0.007,630 -0.091,631 0.1,632 -0.069,633 -0.325,634 0.07,635 -0.129,636 0.114,637 -0.191,638 0.048,639 0.184,640 0.105,641 0.021,642 0.036,643 0.157,644 0.008,645 -0.193,646 0.086,647 -0.263,648 -0.09,649 -0.162,650 -0.16,651 0.15,652 -0.166,653 -0.042,654 -0.225,655 0.166,656 -0.175,657 1.472,658 3.666,659 0.875,660 17.951,661 1.007,662 1.122,663 3.512,664 12.332,665 0.7,666 3.332,667 3.664,668 3.951,669 4.29,670 4.533,671 4.635,672 4.787,673 4.956,674 4.963,675 4.997,676 5.21,677 0.678,678 317.38,679 3.332,680 4.875,681 5.733,682 6.627,683 7.507,684 8.412,685 9.303,686 10.214,687 11.112,688 12.026,689 12.8,697 2,699 3,703 2,704 10,705 3,709 5,710 1,711 22,724 1,728 1,731 39,733 22,734 2,735 27,737 42,738 18,739 17,740 4,741 8,746 4,747 5,752 1,761 17,762 1,777 1,778 1,781 15,782 5,783 2,784 6,787 1,790 5,794 0.75,795 1,806 1,811 1,812 3,815 1,840 3,844 1,848 24,853 1,855 1,870 2.6,872 1,877 11.667,878 7.333,879 5.194,880 2.204,881 4.165,882 1.566,883 1.015,884 3.634,885 11.523,886 3.664,887 4.334,888 4.974,889 5.65,890 6.221,891 6.558,892 7.044,893 7.551,894 7.841,895 8.23,896 1,897 37,898 8.791,900 3.74,901 7.715,902 16.68,904 13.565,905 2.215,906 53.167,910 153.024,911 116.759,912 70.266,914 42.683,917 116.759,918 195.708,919 70.266,920 8.825,922 85.286,923 104.811,924 38.085,925 4.472,926 141.253,928 153.024,929 187.025,930 42.683,933 155.352,934 42.683,937 41.826,938 92.515,939 50.357,941 153.024,942 112.95,943 116.759,946 153.024,947 13.6,948 105.058,949 18.011,950 93.04,951 153.024,952 112.95,953 116.759,955 0.579,956 0.333,957 0.195,958 0.111,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.6,966 206,967 0.095,968 21,969 110.039,974 14.669,975 5.947,976 2.851,977 1.801,978 111.051,979 18.348,980 13.318,984 2.991,985 1.939,986 60.694,987 382.733,988 38,999 39.254,1000 43.777,1001 0.295,1002 0.654,1003 0.815,1004 0.954,1005 0.977,1006 0.977,1007 4.879,1008 1.358,1009 5.714,1010 4.259,1011 4.344,1012 5.021,1013 0.278,1014 6.535,1015 4.24,1016 6.108,1017 1.186,1018 7.268,1019 2.966,1020 3.892,1021 4.808,1023 7.438,1024 3.701,1025 7.422,1026 1.159,1027 8.923,1028 2.608,1029 5.932,1030 7.299,1031 0.05,1032 10.596,1033 5.711,1034 8.775,1035 0.521,1036 10.642,1037 2.573,1038 6.312,1039 7.939,1041 12.417,1042 5.989,1043 10.161,1045 12.404,1046 1.389,1047 7.824,1048 9.881,1049 0.008,1050 15.099,1051 7.473,1052 11.573,1053 -0.392,1054 14.2,1056 8.618,1057 10.961,1059 17.315,1060 8.165,1061 13.006,1062 -0.418,1063 16.021,1064 -0.873,1065 9.913,1066 12.659,1067 0.001,1068 19.845,1069 9.42,1070 3.277,1071 -0.596,1072 17.863,1073 -0.949,1074 10.911,1075 13.967,1077 22.217,1078 10.322,1079 2.659,1080 11.763,1081 19.722,1082 -1.611,1083 12.121,1084 15.558,1086 24.7,1087 11.479,1088 2.585,1089 7.975,1090 21.596,1091 4.631,1092 13.215,1093 16.98,1095 27.131,1096 12.485,1097 2.216,1098 7.657,1099 23.481,1100 3.663,1101 14.398,1102 18.529,1104 29.601,1105 13.606,1106 2.017,1107 6.431,1108 25.375,1109 3.649,1110 15.538,1111 20.006,1113 32.053,1114 14.663,1115 1.734,1116 5.686,1117 27.278,1118 3.022,1119 16.714,1120 21.539,1122 34.519,1123 15.772,1124 1.492,1125 4.93,1126 29.187,1127 2.643,1128 17.876,1129 23.043,1131 36.979,1132 16.855,1133 5717,1134 9590,1135 18.493,1136 27.29,1137 40.975,1138 40.306,1139 41.73,1140 40.478,1141 40.413,1142 56.792,1143 0.8,1144 116.477,1145 38.4,1146 5.476,1147 5.37,1148 6.621,1149 5.283,1150 5.277,1151 7.631,1152 0.8,1153 18.951,1154 5.056,1155 8.77,1156 1.518,1157 1.493,1158 1.546,1159 1.499,1160 1.497,1161 2.103,1162 0.03,1163 4.314,1164 1.422,1165 4.14,1166 4.184,1167 4.116,1168 4.006,1169 6.471,1170 4.026,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.099,1176 3.806,1177 3.792,1178 3.845,1179 3.742,1180 3.642,1181 4.9,1182 3.661,1183 3.394,1184 3.457,1185 3.317,1186 3.212,1187 4.645,1188 3.233,1189 3.15,1190 3.235,1191 2.969,1192 2.993,1193 4.332,1194 2.974,1195 2.975,1196 3.026,1197 2.873,1198 2.785,1199 3.954,1200 2.795,1201 2.913,1202 2.973,1203 2.796,1204 2.77,1205 3.917,1206 2.767,1207 2.896,1208 2.959,1209 2.762,1210 2.745,1211 3.81,1212 2.742,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.121,1218 4.693,1219 0.172,1220 3.37,1221 0.015,1222 6.94,1223 0.436,1224 4.209,1225 0.113,1226 3.277,1227 4.631,1228 0.4,1229 11.763,1230 3.056,1231 1.934,1232 1.903,1233 2.021,1234 2.063,1235 1.13,1236 2.047,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.758,1244 1.711,1245 1.873,1246 1.917,1247 0.878,1248 1.91,1249 1.36,1250 1.292,1251 1.565,1252 1.614,1253 0.645,1254 1.587,1255 1.168,1256 1.09,1257 1.393,1258 1.386,1259 0.42,1260 1.419,1261 0.941,1262 0.887,1263 1.157,1264 1.16,1265 0.218,1266 1.144,1267 0.899,1268 0.848,1269 1.125,1270 1.124,1271 0.185,1272 1.128,1273 0.883,1274 0.832,1275 1.101,1276 1.085,1277 0.135,1278 1.103,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.469,1286 7.05,1287 10.131,1289 1.852,1294 9.666,1296 3.252,1305 26.456,1306 60.859,1307 134.872,1308 168.092,1309 196.621,1310 201.376,1311 201.376,1312 27.258,1313 7.358,1314 75.86,1315 75.86,1316 23,1317 12.542,1318 4.524,1319 3.585,1320 33.53,1321 72,1322 73,1323 0.224,1324 162.553,1325 264.31,1326 388.389,1327 14757,1329 16.518,1330 0.688,1331 0.542,1332 16.518,1333 13.01,1334 11.704,1335 0.433,1336 0.279,1337 7.441,1338 11.286,1339 7.267,1340 6.048,1341 11.704,1342 7.541,1343 10.687,1344 0.281,1345 0.142,1346 10.687,1347 5.397,1348 8.814,1349 0.173,1350 0.072,1351 8.814,1352 3.654,1353 7.952,1354 0.11,1355 0.036,1356 7.952,1357 2.623,1358 6.462,1359 0.07,1360 0.019,1361 6.462,1362 1.737,1363 0.338,1364 72.977,1365 0.233,1366 22.896,1367 0.663,1368 130,1369 369.063,1370 143.344,1371 365.994,1372 516.93,1373 344,1374 154,1375 402.608,1376 167.346,1377 407.139,1378 596.89,1379 385,1380 6.432}
{0 CHEMBL1762787,1 1.698,2 10,3 4.367,4 19.074,5 107.469,6 8.632,7 0.688,8 3.955,9 4.07,10 3.639,11 3.433,12 5.234,13 3.475,14 4.414,15 4.571,16 3.993,17 3.778,18 5.689,19 3.798,20 4.565,21 4.749,22 4.019,23 3.844,24 5.773,25 3.863,26 4.614,27 4.819,28 4.049,29 3.828,30 5.859,31 3.847,32 4.571,33 4.75,34 4.056,35 3.858,36 5.811,37 3.892,38 4.671,39 4.854,40 4.132,41 3.946,42 5.93,43 3.969,44 4.699,45 4.878,46 4.065,47 4.014,48 5.933,49 3.998,50 4.768,51 4.983,52 3.906,53 3.977,54 5.956,55 3.913,56 0.146,57 0.758,58 6.84,59 3.153,60 13.71,61 3.533,62 0.486,63 1.14,64 13.101,65 5.346,66 26.636,67 6.361,68 0.388,69 1.285,70 16.401,71 5.59,72 39.575,73 7.039,74 0.665,75 1.322,76 18.523,77 5.476,78 45.879,79 7.187,80 0.461,81 1.31,82 16.224,83 5.079,84 41.915,85 6.045,86 0.675,87 1.4,88 18.584,89 5.79,90 40.682,91 6.999,92 0.496,93 1.404,94 18.782,95 7.256,96 44.19,97 8.769,98 0.554,99 1.381,100 22.844,101 8.405,102 48.755,103 10.946,104 16,105 44,106 0.286,107 0.658,108 0.785,109 0.883,110 0.901,111 0.901,112 3.409,113 0.809,114 -3.95,115 -3.91,116 -3.71,119 42.2,124 1,125 1,142 8,144 2,146 1,150 3,152 1,158 1,162 1,172 5,174 8,175 2,178 4,180 4,183 5,187 4,190 1,192 2,195 2,198 5,199 8,202 5,203 1,204 4,211 2,212 6,217 2,223 2,224 10,227 5,228 1,229 1,232 4,236 3,237 6,242 2,245 6,250 8,253 2,255 5,258 4,262 1,263 3,266 1,268 3,271 2,275 1487,276 20.049,277 20.049,278 20.049,279 20.049,280 20.049,281 17.276,282 27.032,283 12.123,284 20.751,285 15.785,286 15.785,287 15.785,288 15.785,289 15.785,290 11.469,291 43.161,292 5.716,293 16.937,294 3.794,295 1.591,296 0.834,297 0.256,298 0.15,299 0.15,300 4.108,304 1,305 1,306 622,307 3.082,310 58.579,311 240.515,314 114.46,318 1.379,319 29.422,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 64,331 290,332 4.698,333 4.043,334 6.944,335 4.21,336 3.284,337 4.634,338 2.436,339 11.781,340 3.047,341 4.161,342 3.381,343 5.893,344 3.664,345 2.759,346 3.827,347 0.86,348 8.409,349 2.567,350 4.048,351 2.946,352 5.642,353 3.62,354 2.654,355 3.655,356 0.4,357 7.742,358 2.493,359 3.663,360 2.808,361 5.462,362 3.213,363 2.274,364 3.089,365 0.379,366 7.079,367 2.126,368 3.513,369 2.462,370 5.083,371 2.999,372 2.102,373 2.667,375 6.005,376 1.908,377 3.377,378 2.405,379 4.992,380 2.96,381 2.053,382 2.625,384 5.918,385 1.834,386 3.33,387 2.3,388 4.668,389 2.68,390 1.737,391 2.424,393 4.95,394 1.632,395 3.155,396 1.864,397 4.562,398 2.435,399 1.489,400 2.153,402 4.334,403 1.404,404 2.939,405 1.656,406 3.629,407 2.343,408 1.364,409 1.987,411 2.965,412 1.335,413 2.832,414 1.464,415 3.497,416 2.307,417 1.357,418 1.973,420 2.596,421 1.283,422 2.654,423 1.382,424 3.455,425 2.167,426 1.177,427 1.726,428 2.581,429 1.163,430 2.005,431 1.213,432 3.409,433 1.479,434 0.542,435 0.774,436 1.427,437 0.505,438 1.91,439 1,440 2.922,441 1.269,442 0.429,443 0.49,445 0.642,446 0.36,447 1.583,448 0.555,449 2.819,450 1.171,451 0.271,452 0.39,454 0.444,455 0.244,456 1.295,457 0.216,458 2.637,459 0.94,465 13.367,466 0.461,467 0.585,468 0.02,469 45.75,470 1.578,471 25,472 0.862,473 20.75,474 0.716,475 18.407,476 0.635,477 29.833,478 0.663,479 34.98,480 1.206,481 9.19,482 0.317,483 4.983,484 0.172,485 0.092,487 0.329,493 1.036,494 1.484,495 0.693,496 1.08,497 0.797,498 0.857,499 0.702,500 0.812,501 0.753,502 0.888,503 0.537,504 0.862,505 1.074,506 1.402,507 0.898,508 1.087,509 1.001,510 0.966,511 0.847,512 0.923,513 0.905,514 0.815,515 0.757,516 0.846,517 1.283,518 1.251,519 0.971,520 0.915,521 0.828,522 0.861,523 1.099,524 0.889,525 0.989,526 0.782,527 0.66,528 0.827,529 1.034,530 1.008,531 1.056,532 1.075,533 0.757,534 1.067,535 0.916,536 1.04,537 1.15,538 1.212,539 0.761,540 1.231,541 5.5,542 0.107,543 2,544 2.479,545 1.348,546 1.087,547 0.714,548 0.568,549 0.293,550 0.216,551 9717,552 31459,553 2.111,554 35.6,556 13,559 3,564 1.729,565 2,566 3.285,567 0.994,569 1,573 76.423,574 1.698,575 3.901,576 4.658,577 5.236,578 5.342,579 5.342,580 2.715,581 4.789,582 4.825,583 3.421,584 1388.99,585 8.459,586 18432.6,588 1,590 1,591 247.133,592 1.314,593 4.8,594 0.172,595 0.007,596 0.045,597 0.055,598 0.03,599 0.023,600 0.014,601 0.012,602 0.008,603 0.008,604 0.374,605 0.33,606 1,607 1.107,608 144.698,609 -0.18,610 -0.339,611 0.026,612 -0.111,613 -0.116,614 -0.016,615 0.286,616 0.291,617 0.081,618 0.055,619 0.082,620 0.004,621 -0.169,622 -0.347,623 -0.006,624 -0.15,625 -0.148,626 -0.06,627 0.16,628 0.151,629 0.037,630 0.066,631 0.013,632 0.03,633 -0.279,634 -0.154,635 -0.098,636 -0.02,637 -0.082,638 -0.011,639 -0.028,640 0.198,641 -0.091,642 0.116,643 0.017,644 0.028,645 -0.12,646 0.018,647 -0.168,648 -0.086,649 0.001,650 -0.122,651 -0.041,652 -0.105,653 -0.162,654 -0.187,655 0.044,656 -0.196,657 1.573,658 3.753,659 0.724,660 26.699,661 1.022,662 1.135,663 2.724,664 7.422,665 0.689,666 3.497,667 3.807,668 4.094,669 4.431,670 4.691,671 4.836,672 5.024,673 5.198,674 5.263,675 5.328,676 6.044,677 0.682,678 388.43,679 3.497,680 5.03,681 5.883,682 6.772,683 7.651,684 8.554,685 9.447,686 10.357,687 11.257,688 12.173,689 17.8,694 1,697 2,698 1,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,724 2,728 1,729 1,731 45,733 23,734 2,735 32,737 48,738 19,739 16,740 4,741 8,746 4,747 5,760 1,761 16,762 2,778 1,781 16,782 9,783 3,784 10,787 1,790 8,794 0.75,795 2,811 1,812 3,815 1,822 1,840 3,844 1,848 29,853 1,854 1,855 2,856 1,861 1,866 1,868 1,870 4.4,872 1,875 1,877 14.5,878 8.483,879 6.528,880 2.414,881 4.413,882 1.568,883 0.982,884 5.32,885 12.18,886 3.829,887 4.446,888 5.07,889 5.738,890 6.321,891 6.697,892 7.197,893 7.704,894 8.045,895 8.447,896 0.857,897 45,898 10.589,900 4.448,901 7.908,902 19.642,904 15.476,905 2.408,906 69.833,909 1,910 153.024,911 122.529,912 136.122,914 53.683,917 122.529,918 206.708,919 136.122,920 10.883,921 2.106,922 75.81,923 144.438,924 68.769,925 10.328,926 153.024,928 153.024,929 258.651,930 53.683,933 153.024,934 53.683,937 65.302,938 108.196,939 85.153,941 153.024,942 189.805,943 122.529,946 153.024,947 19.234,948 88.592,949 52.623,950 151.885,951 153.024,952 189.805,953 122.529,955 0.566,956 0.329,957 0.191,958 0.113,959 21,960 9,961 0.125,962 6,963 1,964 1.095,965 3.969,966 264.107,967 0.095,968 21,969 136.881,974 18.789,975 8.212,976 4.005,977 1.482,978 187.906,979 14.201,980 17.467,984 1.767,985 1.709,986 78.705,987 465.358,988 45,999 46.003,1000 51.066,1001 0.309,1002 0.71,1003 0.848,1004 0.953,1005 0.973,1006 0.973,1007 5.053,1008 1.489,1009 5.855,1010 4.95,1011 4.489,1012 5.133,1013 2.705,1014 6.671,1015 4.351,1016 6.275,1017 1.364,1018 7.404,1019 4.334,1020 4.007,1021 4.913,1023 7.557,1024 3.77,1025 7.586,1026 1.357,1027 9.055,1028 2.965,1029 6.071,1030 7.387,1031 4.286,1032 10.71,1033 5.79,1034 8.934,1035 1.177,1036 10.767,1037 2.596,1038 6.431,1039 8.029,1041 12.499,1042 6.043,1043 10.313,1044 0.542,1045 12.522,1046 2.581,1047 7.948,1048 9.952,1049 6.041,1050 15.177,1051 7.522,1052 11.717,1053 0.429,1054 14.309,1055 1.427,1056 8.728,1057 11.035,1059 17.369,1060 8.199,1061 13.141,1062 0.271,1063 16.121,1064 0.642,1065 10.021,1066 12.72,1067 7.818,1068 19.895,1069 9.445,1070 3.284,1072 17.953,1073 0.444,1074 11.01,1075 14.029,1077 22.255,1078 10.338,1079 2.759,1080 11.781,1081 19.803,1083 12.216,1084 15.612,1085 9.599,1086 24.735,1087 11.488,1088 2.654,1089 8.409,1090 21.668,1091 4.634,1092 13.304,1093 17.032,1095 27.161,1096 12.487,1097 2.274,1098 7.742,1099 23.545,1100 3.827,1101 14.483,1102 18.575,1103 11.38,1104 29.629,1105 13.601,1106 2.102,1107 7.079,1108 25.432,1109 3.655,1110 15.618,1111 20.05,1113 32.079,1114 14.652,1115 2.053,1116 6.005,1117 27.328,1118 3.089,1119 16.79,1120 21.579,1121 13.161,1122 34.545,1123 15.755,1124 1.737,1125 5.918,1126 29.231,1127 2.667,1128 17.949,1129 23.08,1131 37.004,1132 16.833,1133 9403,1134 17065,1135 21.671,1136 31,1137 48.363,1138 50.503,1139 48.952,1140 46.977,1141 46.984,1142 64.827,1143 8.151,1144 133.744,1145 43.802,1146 5.487,1147 6.043,1148 6.806,1149 5.31,1150 5.284,1151 7.634,1152 4.873,1153 18.992,1154 5.047,1155 12.498,1156 1.511,1157 1.578,1158 1.53,1159 1.468,1160 1.468,1161 2.026,1162 0.255,1163 4.18,1164 1.369,1165 4.136,1166 4.182,1167 4.116,1168 3.997,1169 6.818,1170 4.018,1171 3.882,1172 3.908,1173 3.824,1174 3.806,1175 6.471,1176 3.806,1177 3.79,1178 3.849,1179 3.764,1180 3.547,1181 5.174,1182 3.597,1183 3.497,1184 3.565,1185 3.421,1186 3.293,1187 4.969,1188 3.317,1189 3.385,1190 3.442,1191 3.31,1192 3.17,1193 4.645,1194 3.202,1195 3.197,1196 3.274,1197 3.042,1198 2.91,1199 4.497,1200 2.923,1201 2.98,1202 3.034,1203 2.893,1204 2.786,1205 4.33,1206 2.798,1207 2.921,1208 2.978,1209 2.823,1210 2.771,1211 4.091,1212 2.77,1213 0.147,1214 0.126,1215 0.217,1216 0.132,1217 0.103,1218 4.698,1219 0.145,1220 4.043,1221 0.076,1222 6.944,1223 0.368,1224 4.21,1225 0.095,1226 3.284,1227 4.634,1228 2.436,1229 11.781,1230 3.047,1231 1.923,1232 1.893,1233 2.012,1234 2.059,1235 1.119,1236 2.035,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.681,1244 1.622,1245 1.758,1246 1.921,1247 0.778,1248 1.887,1249 1.442,1250 1.374,1251 1.615,1252 1.69,1253 0.626,1254 1.668,1255 1.306,1256 1.247,1257 1.534,1258 1.602,1259 0.57,1260 1.577,1261 1.136,1262 1.053,1263 1.335,1264 1.43,1265 0.292,1266 1.422,1267 0.941,1268 0.887,1269 1.155,1270 1.162,1271 0.204,1272 1.142,1273 0.899,1274 0.848,1275 1.125,1276 1.128,1277 0.168,1278 1.127,1279 4.174,1281 5.485,1282 2.398,1283 6.995,1284 4.844,1285 8.602,1286 7.05,1287 10.262,1289 1.45,1294 9.753,1295 0.033,1296 5.985,1297 5.187,1303 8.819,1304 1.979,1305 30.708,1306 76.423,1307 175.524,1308 209.624,1309 235.624,1310 240.379,1311 240.379,1312 39.069,1313 7.767,1314 133.8,1315 133.8,1316 23,1317 12.688,1318 4.585,1319 3.807,1320 44.234,1321 99,1322 127,1323 0.21,1324 190.669,1325 318.12,1326 456.993,1327 24766,1329 20.217,1330 0.697,1331 0.53,1332 20.217,1333 15.365,1334 14.173,1335 0.443,1336 0.27,1337 8.441,1338 13.452,1339 8.29,1340 6.905,1341 14.173,1342 8.625,1343 12.405,1344 0.282,1345 0.134,1346 12.405,1347 5.892,1348 10.32,1349 0.175,1350 0.067,1351 10.32,1352 3.974,1353 9.114,1354 0.11,1355 0.033,1356 9.114,1357 2.76,1358 7.597,1359 0.07,1360 0.017,1361 7.597,1362 1.837,1363 0.32,1364 90.082,1365 0.215,1366 27,1367 0.611,1368 152,1369 510.422,1370 173.522,1371 495.98,1372 683.36,1373 464,1374 179,1375 515.421,1376 200.027,1377 519.66,1378 760.73,1379 487,1380 6.284}
{0 CHEMBL1762788,1 1.628,2 8.12,3 3.319,4 11.017,5 92.476,6 8.335,7 0.786,8 3.838,9 3.965,10 3.496,11 3.342,12 5.079,13 3.368,14 4.284,15 4.445,16 3.885,17 3.702,18 5.557,19 3.71,20 4.473,21 4.667,22 3.871,23 3.756,24 5.636,25 3.762,26 4.475,27 4.679,28 3.877,29 3.727,30 5.671,31 3.716,32 4.471,33 4.683,34 3.817,35 3.726,36 5.626,37 3.733,38 4.496,39 4.7,40 3.892,41 3.821,42 5.697,43 3.795,44 4.521,45 4.726,46 3.725,47 3.821,48 5.668,49 3.768,50 4.483,51 4.715,52 3.509,53 3.696,54 5.619,55 3.586,56 0.102,57 0.686,58 6.744,59 2.797,60 12.287,61 3.366,62 0.288,63 1.051,64 11.62,65 4.965,66 19.96,67 6.324,68 0.322,69 1.175,70 16.009,71 4.807,72 31.274,73 6.243,74 0.389,75 1.171,76 16.368,77 5.593,78 30.185,79 7.604,80 0.413,81 1.17,82 16.686,83 4.126,84 36.05,85 5.365,86 0.38,87 1.193,88 16.83,89 6.051,90 32.406,91 8.284,92 0.333,93 1.173,94 16.978,95 5.796,96 31.53,97 7.478,98 0.301,99 1.014,100 18.33,101 7.162,102 36.779,103 9.955,104 10,105 40,106 0.283,107 0.631,108 0.762,109 0.875,110 0.895,111 0.895,112 3.268,113 0.817,114 -4.62,115 -4.54,116 -4.27,119 42.5,120 1,142 8,144 2,146 1,149 1,150 2,152 1,162 1,163 1,164 1,165 1,172 5,174 6,175 4,177 2,178 4,180 4,183 5,187 4,192 2,195 2,198 3,199 10,201 2,202 4,203 1,204 5,209 1,212 6,217 2,223 1,224 10,226 1,227 4,228 1,229 2,231 1,232 5,234 1,237 4,242 2,245 8,247 2,250 5,253 2,255 5,258 7,260 3,263 1,268 3,271 3,273 1,275 938,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.223,282 21.511,283 9.98,284 17.379,285 13.892,286 13.892,287 13.892,288 13.892,289 13.892,290 9.917,291 33.476,292 4.817,293 14.749,294 3.694,295 1.688,296 0.938,297 0.288,298 0.169,299 0.169,300 3.966,303 1,304 1,305 1,306 442,307 2.345,310 47.862,311 198.044,314 94.25,318 1.174,319 22.761,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54.5,331 203,332 4.697,333 3.376,334 6.943,335 4.209,336 3.283,337 4.633,338 0.4,339 11.777,340 3.048,341 4.124,342 2.84,343 5.855,344 3.633,345 2.704,346 3.798,348 8.164,349 2.567,350 4.048,351 2.772,352 5.609,353 3.61,354 2.651,355 3.655,357 7.709,358 2.483,359 3.641,360 2.399,361 5.355,362 3.19,363 2.247,364 3.072,366 6.753,367 2.111,368 3.367,369 2.25,370 5.032,371 2.961,372 2.033,373 2.654,375 5.872,376 1.885,377 3.232,378 2.081,379 4.663,380 2.796,381 1.879,382 2.481,384 4.963,385 1.721,386 3.153,387 1.842,388 4.618,389 2.674,390 1.73,391 2.422,393 4.937,394 1.628,395 2.926,396 1.469,397 4.526,398 2.399,399 1.449,400 2.123,402 4.255,403 1.373,404 2.831,405 1.381,406 3.628,407 2.343,408 1.358,409 1.984,411 2.964,412 1.334,413 2.654,414 1.212,415 3.493,416 2.167,417 1.177,418 1.726,420 2.59,421 1.163,422 1.998,423 0.56,424 3.434,425 1.47,426 0.526,427 0.766,428 1.42,429 0.496,430 1.295,431 0.145,432 2.922,433 0.94,438 1,439 -0.057,440 2.604,441 0.573,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.953,448 -0.126,449 2.382,450 0.526,451 -0.402,452 -0.51,454 -0.922,455 -0.369,456 0.875,457 -0.261,458 2.283,459 0.459,460 -0.459,461 -0.576,463 -1.169,464 -0.42,465 11.633,466 0.465,467 0.661,468 0.026,469 39.25,470 1.57,471 21.5,472 0.86,473 17.75,474 0.71,475 15.502,476 0.62,477 25.567,478 0.639,479 28.106,480 1.124,481 7.798,482 0.312,483 4.299,484 0.172,485 0.106,487 0.378,493 1.095,494 1.384,495 0.734,496 0.959,497 1.134,498 0.807,499 0.436,500 0.914,501 0.645,502 0.993,503 0.441,504 0.893,505 1.395,506 1.266,507 1.027,508 0.94,509 1.159,510 0.904,511 0.738,512 1.137,513 0.852,514 1.072,515 0.626,516 1.003,517 1.639,518 1.022,519 1.176,520 0.683,521 1.245,522 0.781,523 0.611,524 0.971,525 0.805,526 0.925,527 0.518,528 0.901,529 1.225,530 0.94,531 1.286,532 1.044,533 1.1,534 1.133,535 0.611,536 1.05,537 1.057,538 1.309,539 0.764,540 1.285,541 5.5,542 0.037,543 2,544 2.479,545 1.188,546 0.879,547 0.612,548 0.427,549 0.237,550 0.15,551 6593,552 19205,553 2.13,554 37.5,556 8,559 4,560 3,564 1.689,565 2,566 3.041,567 1.815,568 1,569 1,571 1,573 65.135,574 1.628,575 3.634,576 4.384,577 5.034,578 5.153,579 5.153,580 2.428,581 4.023,582 4.616,583 3.195,584 958.61,585 8.028,586 11391.3,587 1,588 1,589 1,590 1,591 212.877,592 1.388,593 4.579,594 0.196,595 0.006,596 0.05,597 0.064,598 0.031,599 0.024,600 0.015,601 0.013,602 0.009,603 0.011,604 0.42,605 0.17,606 1,607 0.553,608 117.8,609 -0.209,610 -0.229,611 0.013,612 -0.004,613 -0.285,614 0.039,615 0.423,616 0.21,617 0.171,618 -0.046,619 0.246,620 -0.013,621 -0.329,622 -0.196,623 -0.119,624 -0.035,625 -0.253,626 -0.031,627 0.237,628 -0.096,629 0.08,630 -0.143,631 0.186,632 -0.088,633 -0.512,634 0.081,635 -0.245,636 0.169,637 -0.339,638 0.056,639 0.215,640 0.06,641 0.109,642 0.047,643 0.216,644 0.054,645 -0.336,646 0.097,647 -0.382,648 -0.086,649 -0.252,650 -0.201,651 0.17,652 -0.169,653 -0.059,654 -0.244,655 0.171,656 -0.204,657 1.524,658 3.673,659 0.84,660 19.018,661 1.014,662 1.134,663 3.391,664 11.497,665 0.689,666 3.367,667 3.714,668 3.989,669 4.344,670 4.575,671 4.71,672 4.844,673 5.03,674 5.043,675 5.094,676 5.311,677 0.674,678 333.39,679 3.367,680 4.92,681 5.778,682 6.678,683 7.557,684 8.468,685 9.359,686 10.275,687 11.172,688 12.091,689 17.5,693 1,697 2,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,722 1,724 1,728 1,731 40,733 22,734 2,735 28,737 43,738 17,739 16,740 4,741 8,746 4,747 5,752 1,761 16,762 1,777 1,778 1,781 15,782 7,783 4,784 8,787 1,790 7,794 0.75,795 1,811 1,812 3,815 1,840 3,844 1,848 25,849 1,853 1,855 1,870 2.5,872 1,877 12.5,878 7.45,879 5.361,880 2.176,881 4.195,882 1.563,883 1.016,884 3.802,885 11.648,886 3.689,887 4.373,888 5.005,889 5.689,890 6.254,891 6.619,892 7.086,893 7.607,894 7.906,895 8.306,896 1,897 39,898 9.142,900 3.909,901 7.813,902 17.118,904 13.838,905 2.313,906 57.833,909 1,910 129.482,911 99.705,912 119.949,914 42.683,917 99.705,918 172.165,919 119.949,920 8.825,922 108.707,923 109.825,924 29.038,925 5.942,926 129.482,928 129.482,929 219.655,930 42.683,933 131.81,934 42.683,937 36.576,938 113.608,939 67.142,941 129.482,942 162.632,943 99.705,946 129.482,947 15.07,948 86.534,949 18.011,950 142.723,951 129.482,952 162.632,953 99.705,955 0.584,956 0.332,957 0.196,958 0.109,959 21,960 9,961 0.07,962 3,963 1,964 1.095,965 3.639,966 219.038,967 0.095,968 21,969 116.096,974 15.511,975 6.128,976 3.028,977 1.608,978 160.733,979 14.427,980 17.234,984 2.397,985 1.768,986 93.591,987 391.82,988 39,999 40.574,1000 45.358,1001 0.306,1002 0.683,1003 0.824,1004 0.946,1005 0.968,1006 0.968,1007 4.916,1008 1.449,1009 5.771,1010 4.937,1011 4.394,1012 5.059,1013 0.278,1014 6.6,1015 4.273,1016 6.155,1017 1.358,1018 7.331,1019 4.255,1020 4.007,1021 4.913,1023 7.499,1024 3.792,1025 7.477,1026 1.177,1027 8.989,1028 2.964,1029 5.994,1030 7.347,1031 0.05,1032 10.653,1033 5.74,1034 8.835,1035 0.526,1036 10.706,1037 2.59,1038 6.399,1039 8.014,1041 12.451,1042 6.041,1043 10.223,1045 12.465,1046 1.42,1047 7.886,1048 9.929,1049 0.008,1050 15.137,1051 7.492,1052 11.636,1053 -0.347,1054 14.255,1056 8.689,1057 11.021,1059 17.338,1060 8.191,1061 13.069,1062 -0.402,1063 16.07,1064 -0.891,1065 9.972,1066 12.705,1067 0.001,1068 19.87,1069 9.428,1070 3.283,1071 -0.459,1072 17.907,1073 -0.922,1074 10.972,1075 14.017,1077 22.236,1078 10.331,1079 2.704,1080 11.777,1081 19.761,1082 -1.169,1083 12.176,1084 15.6,1086 24.72,1087 11.478,1088 2.651,1089 8.164,1090 21.63,1091 4.633,1092 13.27,1093 17.022,1095 27.148,1096 12.482,1097 2.247,1098 7.709,1099 23.511,1100 3.798,1101 14.449,1102 18.565,1104 29.618,1105 13.595,1106 2.033,1107 6.753,1108 25.402,1109 3.655,1110 15.588,1111 20.041,1113 32.07,1114 14.649,1115 1.879,1116 5.872,1117 27.302,1118 3.072,1119 16.761,1120 21.571,1122 34.536,1123 15.751,1124 1.73,1125 4.963,1126 29.208,1127 2.654,1128 17.922,1129 23.073,1131 36.997,1132 16.831,1133 6289,1134 10875,1135 18.898,1136 27.54,1137 42.7,1138 41.963,1139 43.584,1140 42.162,1141 42.075,1142 58.629,1143 0.8,1144 122.807,1145 39.615,1146 5.48,1147 5.376,1148 6.624,1149 5.309,1150 5.283,1151 7.633,1152 0.8,1153 18.982,1154 5.048,1155 10.946,1156 1.525,1157 1.499,1158 1.557,1159 1.506,1160 1.503,1161 2.094,1162 0.029,1163 4.386,1164 1.415,1165 4.136,1166 4.183,1167 4.115,1168 3.997,1169 6.471,1170 4.019,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.27,1176 3.806,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 5.022,1182 3.606,1183 3.397,1184 3.46,1185 3.322,1186 3.213,1187 4.688,1188 3.235,1189 3.167,1190 3.275,1191 2.991,1192 2.919,1193 4.645,1194 2.924,1195 2.998,1196 3.07,1197 2.907,1198 2.793,1199 4.327,1200 2.807,1201 2.935,1202 2.988,1203 2.83,1204 2.772,1205 4.018,1206 2.774,1207 2.897,1208 2.959,1209 2.762,1210 2.745,1211 3.812,1212 2.742,1213 0.168,1214 0.121,1215 0.248,1216 0.15,1217 0.117,1218 4.697,1219 0.165,1220 3.376,1221 0.014,1222 6.943,1223 0.421,1224 4.209,1225 0.109,1226 3.283,1227 4.633,1228 0.4,1229 11.777,1230 3.048,1231 1.924,1232 1.894,1233 2.013,1234 2.061,1235 1.12,1236 2.038,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.701,1244 1.639,1245 1.808,1246 1.918,1247 0.795,1248 1.895,1249 1.361,1250 1.294,1251 1.515,1252 1.62,1253 0.574,1254 1.587,1255 1.128,1256 1.031,1257 1.38,1258 1.439,1259 0.26,1260 1.449,1261 0.965,1262 0.902,1263 1.165,1264 1.218,1265 0.198,1266 1.203,1267 0.899,1268 0.848,1269 1.133,1270 1.142,1271 0.143,1272 1.132,1273 0.883,1274 0.833,1275 1.123,1276 1.086,1277 0.135,1278 1.107,1279 4.043,1281 5.38,1282 2.398,1283 6.907,1284 4.844,1285 8.525,1286 7.05,1287 10.192,1289 1.753,1293 5.783,1294 9.673,1296 3.191,1305 26.972,1306 65.135,1307 145.367,1308 175.367,1309 201.367,1310 206.122,1311 206.122,1312 29.964,1313 7.453,1314 114.77,1315 114.77,1316 23,1317 12.604,1318 4.524,1319 3.585,1320 35.55,1321 76,1322 79,1323 0.224,1324 166.549,1325 269.01,1326 398.14,1327 16530,1329 17.389,1330 0.696,1331 0.535,1332 17.389,1333 13.379,1334 12.097,1335 0.432,1336 0.272,1337 7.497,1338 11.589,1339 7.336,1340 6.106,1341 12.097,1342 7.621,1343 11.333,1344 0.283,1345 0.137,1346 11.333,1347 5.476,1348 9.052,1349 0.171,1350 0.068,1351 9.052,1352 3.616,1353 8.445,1354 0.111,1355 0.034,1356 8.445,1357 2.613,1358 6.579,1359 0.069,1360 0.017,1361 6.579,1362 1.675,1363 0.337,1364 75.991,1365 0.23,1366 23.666,1367 0.662,1368 136,1369 406.02,1370 153.035,1371 401.95,1372 565.4,1373 376,1374 161,1375 442.622,1376 177.343,1377 446.336,1378 655.87,1379 421,1380 8.398}
{0 CHEMBL1762789,1 1.497,2 8.042,3 3.587,4 12.864,5 90.782,6 8.138,7 0.815,8 3.803,9 3.936,10 3.454,11 3.333,12 4.997,13 3.345,14 4.26,15 4.431,16 3.83,17 3.689,18 5.478,19 3.681,20 4.433,21 4.644,22 3.81,23 3.733,24 5.521,25 3.723,26 4.418,27 4.628,28 3.813,29 3.698,30 5.555,31 3.677,32 4.424,33 4.644,34 3.781,35 3.704,36 5.543,37 3.704,38 4.455,39 4.662,40 3.829,41 3.804,42 5.602,43 3.77,44 4.484,45 4.698,46 3.625,47 3.806,48 5.572,49 3.727,50 4.431,51 4.681,52 3.323,53 3.662,54 5.41,55 3.517,56 0.049,57 0.676,58 6.724,59 2.726,60 7.706,61 3.487,62 0.272,63 1.04,64 11.922,65 4.875,66 20.57,67 6.448,68 0.219,69 1.157,70 16.015,71 4.751,72 22.052,73 6.541,74 0.286,75 1.145,76 15.654,77 5.286,78 23.117,79 7.317,80 0.303,81 1.148,82 16.225,83 4.032,84 26.854,85 5.478,86 0.256,87 1.173,88 16.288,89 5.78,90 25.339,91 7.893,92 0.25,93 1.153,94 16.866,95 5.823,96 28.472,97 7.798,98 0.163,99 0.989,100 17.901,101 6.963,102 26.737,103 9.864,104 5,105 38,106 0.261,107 0.58,108 0.695,109 0.814,110 0.857,111 0.857,112 3.23,113 0.832,114 -5.37,115 -5.25,116 -4.91,119 43.6,120 1,142 9,144 1,146 1,149 1,150 2,152 1,162 1,163 1,164 1,165 1,172 7,174 6,175 4,177 2,178 4,180 2,183 6,187 4,192 2,195 3,198 3,199 10,201 2,202 4,204 4,209 1,212 8,217 2,223 1,224 10,226 1,227 2,228 1,229 2,231 1,232 5,234 1,237 6,242 2,245 10,247 2,250 5,255 3,258 9,260 3,263 2,268 2,271 4,273 2,275 848,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 19.355,283 9.861,284 16.891,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 9.506,291 30.609,292 4.767,293 14.189,294 3.788,295 1.963,296 1.305,297 0.625,298 0.378,299 0.378,300 3.93,303 1,304 1,305 1,306 423,307 2.236,310 45.348,311 188.024,314 89.208,318 1.132,319 15.953,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 193,332 4.697,333 3.375,334 6.943,335 4.209,336 3.282,337 4.633,338 0.4,339 11.776,340 3.047,341 4.124,342 2.806,343 5.854,344 3.62,345 2.7,346 3.798,348 8.163,349 2.483,350 3.92,351 2.66,352 5.552,353 3.51,354 2.541,355 3.466,357 7.472,358 2.461,359 3.61,360 2.305,361 5.281,362 3.145,363 2.201,364 3.046,366 6.58,367 2.072,368 3.268,369 2.084,370 4.928,371 2.803,372 1.879,373 2.571,375 5.492,376 1.74,377 3.232,378 1.967,379 4.618,380 2.792,381 1.868,382 2.481,384 4.963,385 1.716,386 2.942,387 1.498,388 4.526,389 2.451,390 1.474,391 2.141,393 4.258,394 1.442,395 2.903,396 1.453,397 3.664,398 2.391,399 1.43,400 2.089,402 3.094,403 1.369,404 2.779,405 1.333,406 3.582,407 2.29,408 1.308,409 1.907,411 2.898,412 1.28,413 2.5,414 1,415 3.412,416 2,417 1,418 1.5,420 2.136,421 1,422 1.998,423 0.559,424 3.247,425 1.47,426 0.526,427 0.766,428 1.417,429 0.495,430 1.294,431 0.143,432 2.859,433 0.94,438 1,439 -0.126,440 2.584,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.924,448 -0.261,449 2.382,450 0.478,451 -0.444,452 -0.567,454 -1.139,455 -0.409,456 0.732,457 -0.483,458 2.266,459 0.302,460 -0.654,461 -0.821,463 -1.558,464 -0.623,465 11.3,466 0.471,467 0.554,468 0.023,469 38,470 1.583,471 21,472 0.875,473 17,474 0.708,475 14.506,476 0.604,477 24.1,478 0.618,479 26.1,480 1.088,481 7.557,482 0.315,483 4.146,484 0.173,485 0.08,487 0.345,493 1.073,494 1.395,495 0.724,496 0.986,497 1.166,498 0.832,499 0.359,500 0.891,501 0.689,502 0.981,503 0.411,504 0.908,505 1.475,506 1.241,507 0.984,508 0.909,509 1.176,510 0.873,511 0.835,512 1.139,513 0.877,514 1.066,515 0.61,516 0.995,517 1.906,518 1.023,519 1.124,520 0.675,521 1.488,522 0.75,523 0.924,524 0.973,525 0.89,526 0.927,527 0.747,528 0.907,529 1.365,530 0.94,531 1.34,532 1.069,533 1.378,534 1.175,535 0.712,536 1.018,537 1.149,538 1.278,539 0.996,540 1.285,541 4.5,542 0.025,543 1.778,544 2.167,545 1.077,546 0.823,547 0.612,548 0.261,549 0.201,550 0.067,551 5960,552 15856,553 2.161,554 38.5,556 9,559 3,560 3,564 1.678,565 2.057,566 3.005,567 1.039,569 1,571 1,573 58.389,574 1.497,575 3.322,576 3.98,577 4.661,578 4.907,579 4.907,580 2.428,581 4.168,582 4.556,583 3.146,584 868.324,585 7.91,586 9998.23,587 1,588 1,589 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.008,596 0.047,597 0.059,598 0.03,599 0.023,600 0.016,601 0.009,602 0.01,603 0.007,604 0.374,605 0.33,606 1,607 0.49,608 111.28,609 -0.154,610 -0.25,611 0.042,612 -0.051,613 -0.292,614 0.014,615 0.652,616 0.215,617 0.157,618 -0.048,619 0.404,620 -0.033,621 -0.306,622 -0.179,623 -0.052,624 -0.01,625 -0.26,626 0.008,627 0.294,628 -0.092,629 0.061,630 -0.152,631 0.298,632 -0.098,633 -0.55,634 0.081,635 -0.176,636 0.173,637 -0.374,638 0.083,639 0.063,640 0.057,641 0.029,642 0.03,643 0.215,644 0.025,645 -0.408,646 0.077,647 -0.424,648 -0.108,649 -0.36,650 -0.238,651 -0.022,652 -0.151,653 -0.148,654 -0.212,655 -0.05,656 -0.203,657 1.485,658 1.796,659 0.875,660 18.056,661 1.006,662 1.132,663 4.139,664 17.132,665 0.695,666 3.332,667 3.664,668 3.951,669 4.304,670 4.543,671 4.663,672 4.812,673 4.977,674 4.97,675 4.997,676 5.136,677 0.673,678 317.39,679 3.332,680 4.875,681 5.733,682 6.629,683 7.51,684 8.419,685 9.312,686 10.226,687 11.126,688 12.044,689 17.9,693 1,697 2,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,722 1,724 1,731 39,733 22,734 2,735 27,737 42,738 17,739 16,740 3,741 9,746 4,747 5,752 1,761 16,762 1,777 1,778 1,781 15,782 6,783 3,784 7,787 1,790 7,794 0.75,811 1,812 3,815 1,840 3,844 1,848 24,849 1,855 1,877 11.667,878 7.333,879 5.194,880 2.182,881 4.154,882 1.565,883 1.049,884 3.596,885 11.509,886 3.664,887 4.334,888 4.974,889 5.658,890 6.23,891 6.582,892 7.07,893 7.579,894 7.864,895 8.253,896 1,897 37,898 8.773,900 3.71,901 7.674,902 16.642,904 13.427,905 2.174,906 52.167,910 141.253,911 109.182,912 119.949,917 109.182,918 141.253,919 119.949,920 8.825,922 118.183,923 67.142,924 29.038,925 5.942,926 141.253,928 141.253,929 229.131,933 143.581,937 36.576,938 123.084,939 67.142,941 141.253,942 119.949,943 109.182,946 141.253,947 15.07,948 96.011,949 18.011,950 100.039,951 141.253,952 119.949,953 109.182,955 0.578,956 0.332,957 0.198,958 0.112,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.59,966 206.855,967 0.095,968 21,969 106.039,974 14.608,975 5.909,976 2.829,977 1.73,978 118.05,979 17.62,980 17.371,984 2.717,985 1.841,986 50.908,987 370.384,988 38,999 39.247,1000 44.149,1001 0.283,1002 0.629,1003 0.753,1004 0.882,1005 0.928,1006 0.928,1007 4.879,1008 1.43,1009 5.714,1010 4.258,1011 4.344,1012 5.021,1013 0.278,1014 6.538,1015 4.228,1016 6.108,1017 1.308,1018 7.268,1019 3.094,1020 3.892,1021 4.808,1023 7.438,1024 3.678,1025 7.422,1026 1,1027 8.924,1028 2.898,1029 5.932,1030 7.299,1031 0.05,1032 10.605,1033 5.681,1034 8.775,1035 0.526,1036 10.643,1037 2.136,1038 6.312,1039 7.939,1041 12.422,1042 5.949,1043 10.161,1045 12.407,1046 1.417,1047 7.827,1048 9.882,1049 0.008,1050 15.111,1051 7.429,1052 11.574,1053 -0.347,1054 14.203,1056 8.623,1057 10.965,1059 17.324,1060 8.116,1061 13.008,1062 -0.444,1063 16.025,1064 -0.891,1065 9.92,1066 12.664,1067 0.001,1068 19.858,1069 9.368,1070 3.282,1071 -0.654,1072 17.869,1073 -1.139,1074 10.922,1075 13.975,1077 22.229,1078 10.268,1079 2.7,1080 11.776,1081 19.729,1082 -1.558,1083 12.134,1084 15.567,1086 24.714,1087 11.424,1088 2.541,1089 8.163,1090 21.603,1091 4.633,1092 13.232,1093 16.992,1095 27.145,1096 12.429,1097 2.201,1098 7.472,1099 23.488,1100 3.798,1101 14.416,1102 18.54,1104 29.616,1105 13.548,1106 1.879,1107 6.58,1108 25.383,1109 3.466,1110 15.559,1111 20.019,1113 32.068,1114 14.605,1115 1.868,1116 5.492,1117 27.286,1118 3.046,1119 16.737,1120 21.553,1122 34.535,1123 15.713,1124 1.474,1125 4.963,1126 29.196,1127 2.571,1128 17.9,1129 23.058,1131 36.996,1132 16.796,1133 5652,1134 9370,1135 18.493,1136 27.086,1137 40.982,1138 40.34,1139 41.376,1140 40.501,1141 40.419,1142 56.796,1143 0.8,1144 116.497,1145 38.212,1146 5.476,1147 5.375,1148 6.745,1149 5.309,1150 5.282,1151 7.633,1152 0.8,1153 18.981,1154 5.047,1155 8.591,1156 1.518,1157 1.494,1158 1.532,1159 1.5,1160 1.497,1161 2.104,1162 0.03,1163 4.315,1164 1.415,1165 4.136,1166 4.183,1167 4.114,1168 3.997,1169 5.27,1170 4.018,1171 3.874,1172 3.909,1173 3.804,1174 3.809,1175 5.026,1176 3.803,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 4.757,1182 3.606,1183 3.394,1184 3.459,1185 3.317,1186 3.213,1187 4.687,1188 3.234,1189 3.167,1190 3.275,1191 2.991,1192 2.919,1193 4.342,1194 2.924,1195 2.979,1196 3.064,1197 2.879,1198 2.792,1199 4.019,1200 2.799,1201 2.909,1202 2.977,1203 2.8,1204 2.77,1205 3.83,1206 2.768,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.734,1212 2.715,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.122,1218 4.697,1219 0.172,1220 3.375,1221 0.015,1222 6.943,1223 0.436,1224 4.209,1225 0.113,1226 3.282,1227 4.633,1228 0.4,1229 11.776,1230 3.047,1231 1.925,1232 1.894,1233 2.016,1234 2.061,1235 1.12,1236 2.039,1237 1.887,1238 1.855,1239 2.007,1240 1.986,1241 1.062,1242 1.995,1243 1.702,1244 1.639,1245 1.808,1246 1.918,1247 0.796,1248 1.896,1249 1.362,1250 1.294,1251 1.517,1252 1.618,1253 0.576,1254 1.588,1255 1.128,1256 1.031,1257 1.382,1258 1.439,1259 0.264,1260 1.449,1261 0.965,1262 0.902,1263 1.181,1264 1.21,1265 0.218,1266 1.202,1267 0.899,1268 0.839,1269 1.162,1270 1.089,1271 0.196,1272 1.107,1273 0.886,1274 0.821,1275 1.129,1276 1.062,1277 0.143,1278 1.107,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.471,1286 7.05,1287 10.136,1289 1.783,1293 5.796,1296 3.31,1305 26.257,1306 58.389,1307 129.562,1308 155.237,1309 181.766,1310 191.376,1311 191.376,1312 24.128,1313 7.354,1314 94.54,1315 94.54,1316 23,1317 12.558,1318 4.524,1319 3.585,1320 33.489,1321 70,1322 79,1323 0.228,1324 162.553,1325 260.22,1326 388.389,1327 14575,1329 16.518,1330 0.688,1331 0.542,1332 16.518,1333 13.01,1334 11.704,1335 0.433,1336 0.277,1337 7.378,1338 11.267,1339 7.21,1340 6.016,1341 11.704,1342 7.486,1343 10.699,1344 0.282,1345 0.139,1346 10.699,1347 5.291,1348 8.732,1349 0.171,1350 0.069,1351 8.732,1352 3.543,1353 8.094,1354 0.111,1355 0.035,1356 8.094,1357 2.551,1358 6.44,1359 0.069,1360 0.018,1361 6.44,1362 1.658,1363 0.342,1364 73.051,1365 0.233,1366 22.849,1367 0.679,1368 130,1369 365.871,1370 144.931,1371 365.539,1372 521.71,1373 344,1374 154,1375 413.592,1376 168.682,1377 418.025,1378 615.5,1379 395,1380 6.585}
{0 CHEMBL1762790,1 1.705,2 8.192,3 3.052,4 9.313,5 94.17,6 8.522,7 0.759,8 3.873,9 3.992,10 3.537,11 3.351,12 5.155,13 3.39,14 4.307,15 4.459,16 3.936,17 3.715,18 5.631,19 3.738,20 4.51,21 4.69,22 3.929,23 3.778,24 5.729,25 3.8,26 4.53,27 4.728,28 3.967,29 3.756,30 5.848,31 3.759,32 4.524,33 4.722,34 3.857,35 3.748,36 5.736,37 3.768,38 4.545,39 4.75,40 3.952,41 3.841,42 5.787,43 3.82,44 4.556,45 4.754,46 3.816,47 3.836,48 5.756,49 3.808,50 4.532,51 4.747,52 3.665,53 3.73,54 5.791,55 3.649,56 0.162,57 0.696,58 6.769,59 2.858,60 17.927,61 3.245,62 0.318,63 1.062,64 11.304,65 5.051,66 19.561,67 6.198,68 0.433,69 1.192,70 15.895,71 4.865,72 41.572,73 5.939,74 0.549,75 1.196,76 17.078,77 5.892,78 48.497,79 8.031,80 0.564,81 1.191,82 17.094,83 4.169,84 52.081,85 4.942,86 0.503,87 1.217,88 17.797,89 6.401,90 40.201,91 8.85,92 0.427,93 1.192,94 17.036,95 5.758,96 36.77,97 7.157,98 0.438,99 1.039,100 18.633,101 7.361,102 45.012,103 10.046,104 17,105 42,106 0.295,107 0.653,108 0.765,109 0.848,110 0.856,111 0.856,112 3.305,113 0.802,114 -3.88,115 -3.84,116 -3.64,119 41.5,120 1,142 7,144 3,146 1,149 1,150 2,152 1,162 1,163 1,164 1,165 1,172 3,174 6,175 4,177 2,178 4,180 6,183 5,187 4,195 1,198 3,199 10,201 2,202 4,203 3,204 6,209 1,212 4,217 2,223 1,224 10,226 1,227 6,228 1,229 2,231 1,232 5,234 1,237 2,242 2,245 6,247 2,250 5,253 4,255 7,258 5,260 3,268 4,271 2,275 1024,276 17.342,277 17.342,278 17.342,279 17.342,280 17.342,281 14.646,282 23.668,283 10.157,284 17.867,285 14.392,286 14.392,287 14.392,288 14.392,289 14.392,290 10.334,291 37.507,292 4.914,293 15.322,294 3.652,295 1.581,296 0.937,297 0.457,298 0.409,299 0.409,300 4,303 1,304 1,305 1,306 461,307 2.449,310 50.377,311 208.064,314 99.291,318 1.207,319 29.652,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 57.5,331 213,332 4.697,333 3.377,334 6.943,335 4.21,336 3.283,337 4.634,338 0.4,339 11.777,340 3.048,341 4.164,342 2.952,343 5.856,344 3.734,345 2.771,346 3.812,348 8.168,349 2.664,350 4.123,351 2.791,352 5.709,353 3.617,354 2.694,355 3.798,357 8.051,358 2.483,359 3.654,360 2.426,361 5.41,362 3.214,363 2.271,364 3.082,366 6.895,367 2.132,368 3.387,369 2.251,370 5.088,371 2.985,372 2.056,373 2.674,375 6.061,376 1.908,377 3.232,378 2.232,379 4.727,380 2.816,381 1.879,382 2.481,384 5.037,385 1.749,386 3.232,387 2.081,388 4.618,389 2.796,390 1.879,391 2.481,393 4.963,394 1.721,395 3.142,396 1.808,397 4.618,398 2.659,399 1.712,400 2.413,402 4.963,403 1.617,404 2.925,405 1.467,406 4.526,407 2.398,408 1.448,409 2.122,411 4.255,412 1.372,413 2.821,414 1.368,415 3.627,416 2.331,417 1.347,418 1.969,420 2.959,421 1.322,422 1.998,423 0.561,424 3.45,425 1.47,426 0.527,427 0.766,428 1.423,429 0.496,430 1.297,431 0.147,432 2.969,433 0.94,438 1,439 -0.047,440 2.626,441 0.588,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 1,448 -0.072,449 2.382,450 0.573,451 -0.347,452 -0.445,454 -0.891,455 -0.32,456 0.944,457 -0.126,458 2.382,459 0.499,460 -0.426,461 -0.549,463 -1.121,464 -0.393,465 11.967,466 0.46,467 0.767,468 0.029,469 40.5,470 1.558,471 22,472 0.846,473 18.5,474 0.712,475 16.551,476 0.637,477 27.033,478 0.659,479 30.232,480 1.163,481 8.038,482 0.309,483 4.453,484 0.171,485 0.131,487 0.409,493 1.121,494 1.374,495 0.745,496 0.934,497 1.139,498 0.782,499 0.486,500 0.938,501 0.606,502 1.007,503 0.46,504 0.877,505 1.369,506 1.292,507 1.069,508 0.97,509 1.198,510 0.936,511 0.528,512 1.137,513 0.757,514 1.077,515 0.422,516 0.99,517 1.676,518 1.022,519 1.302,520 0.693,521 1.376,522 0.834,523 0.445,524 0.959,525 0.723,526 0.913,527 0.432,528 0.886,529 1.165,530 0.939,531 1.24,532 1.02,533 1.012,534 1.091,535 0.562,536 1.081,537 0.976,538 1.339,539 0.684,540 1.285,541 6.5,542 0.049,543 2,544 2.917,545 1.299,546 0.934,547 0.612,548 0.593,549 0.274,550 0.233,551 7238,552 22686,553 2.101,554 36.6,556 7,559 5,560 3,564 1.699,565 1.95,566 3.054,567 2.634,568 1,569 1,571 1,573 69.918,574 1.705,575 3.777,576 4.421,577 4.9,578 4.949,579 4.949,580 2.42,581 4.133,582 4.673,583 3.227,584 1048.73,585 8.143,586 12849,587 1,588 1,590 1,591 219.66,592 1.46,593 4.624,594 0.224,595 0.005,596 0.048,597 0.071,598 0.032,599 0.025,600 0.015,601 0.016,602 0.009,603 0.013,604 0.458,605 0.33,606 1,607 0.596,608 124.274,609 -0.251,610 -0.21,611 -0.013,612 0.04,613 -0.296,614 0.064,615 0.301,616 0.205,617 0.184,618 -0.043,619 0.19,620 0.006,621 -0.357,622 -0.211,623 -0.186,624 -0.059,625 -0.298,626 -0.07,627 0.373,628 -0.101,629 0.174,630 -0.136,631 0.359,632 -0.057,633 -0.572,634 0.082,635 -0.388,636 0.158,637 -0.414,638 -0.011,639 0.306,640 0.065,641 0.2,642 0.074,643 0.227,644 0.099,645 -0.311,646 0.116,647 -0.347,648 -0.065,649 -0.222,650 -0.163,651 0.262,652 -0.186,653 0.017,654 -0.273,655 0.243,656 -0.205,657 1.74,658 3.694,659 0.808,660 20,661 1.022,662 1.136,663 2.652,664 7.032,665 0.683,666 3.401,667 3.761,668 4.025,669 4.394,670 4.605,671 4.762,672 4.875,673 5.081,674 5.112,675 5.182,676 5.452,677 0.675,678 349.39,679 3.401,680 4.963,681 5.82,682 6.727,683 7.604,684 8.52,685 9.408,686 10.328,687 11.222,688 12.144,689 17.1,693 1,697 2,699 4,702 1,703 2,704 7,705 4,709 7,710 1,711 22,722 1,724 1,728 2,731 41,733 22,734 2,735 29,737 44,738 17,739 16,740 5,741 7,746 4,747 5,752 1,761 16,762 1,777 1,778 1,781 15,782 8,783 5,784 9,787 1,790 7,794 0.75,795 2,811 1,812 3,815 1,840 3,844 1,848 26,849 1,853 2,855 1,870 4.9,872 2,877 13.333,878 7.567,879 5.528,880 2.171,881 4.226,882 1.56,883 0.987,884 4.009,885 11.77,886 3.714,887 4.41,888 5.035,889 5.726,890 6.278,891 6.661,892 7.101,893 7.634,894 7.948,895 8.356,896 1,897 41,898 9.52,900 4.122,901 7.942,902 17.594,904 14.25,905 2.442,906 63.5,909 1,910 117.711,911 90.229,912 119.949,914 85.367,917 90.229,918 203.078,919 119.949,920 8.825,922 99.231,923 152.509,924 29.038,925 5.942,926 117.711,928 117.711,929 210.178,930 85.367,933 120.039,934 85.367,937 36.576,938 104.132,939 67.142,941 117.711,942 205.316,943 90.229,946 117.711,947 15.07,948 77.058,949 18.011,950 185.406,951 117.711,952 205.316,953 90.229,955 0.589,956 0.331,957 0.199,958 0.107,959 22,960 10,961 0.068,962 3,963 1,964 1.095,965 3.684,966 231.801,967 0.095,968 21,969 116.211,974 16.418,975 6.349,976 3.244,977 1.486,978 203.417,979 11.659,980 17.096,984 1.609,985 1.696,986 136.275,987 413.256,988 40,999 41.902,1000 46.568,1001 0.318,1002 0.705,1003 0.825,1004 0.915,1005 0.924,1006 0.924,1007 4.952,1008 1.712,1009 5.826,1010 4.963,1011 4.443,1012 5.097,1013 0.278,1014 6.661,1015 4.317,1016 6.201,1017 1.448,1018 7.391,1019 4.963,1020 4.111,1021 5.007,1023 7.557,1024 3.895,1025 7.53,1026 1.347,1027 9.051,1028 4.255,1029 6.052,1030 7.392,1031 0.05,1032 10.706,1033 5.796,1034 8.892,1035 0.527,1036 10.767,1037 2.959,1038 6.479,1039 8.085,1041 12.483,1042 6.125,1043 10.282,1045 12.522,1046 1.423,1047 7.945,1048 9.975,1049 0.008,1050 15.171,1051 7.553,1052 11.695,1053 -0.347,1054 14.307,1056 8.755,1057 11.077,1059 17.358,1060 8.266,1061 13.128,1062 -0.347,1063 16.118,1064 -0.891,1065 10.028,1066 12.748,1067 0.001,1068 19.889,1069 9.491,1070 3.283,1071 -0.426,1072 17.949,1073 -0.891,1074 11.029,1075 14.063,1077 22.247,1078 10.401,1079 2.771,1080 11.777,1081 19.798,1082 -1.121,1083 12.227,1084 15.639,1086 24.73,1087 11.541,1088 2.694,1089 8.168,1090 21.662,1091 4.634,1092 13.319,1093 17.06,1095 27.155,1096 12.546,1097 2.271,1098 8.051,1099 23.538,1100 3.812,1101 14.493,1102 18.598,1104 29.623,1105 13.655,1106 2.056,1107 6.895,1108 25.426,1109 3.798,1110 15.629,1111 20.071,1113 32.073,1114 14.708,1115 1.879,1116 6.061,1117 27.322,1118 3.082,1119 16.799,1120 21.597,1122 34.539,1123 15.807,1124 1.879,1125 5.037,1126 29.226,1127 2.674,1128 17.956,1129 23.097,1131 36.999,1132 16.884,1133 6940,1134 12426,1135 19.304,1136 27.995,1137 44.404,1138 43.613,1139 45.567,1140 43.826,1141 43.736,1142 60.464,1143 0.8,1144 129.101,1145 41.022,1146 5.484,1147 5.377,1148 6.624,1149 5.31,1150 5.283,1151 7.634,1152 0.8,1153 18.982,1154 5.048,1155 12.984,1156 1.531,1157 1.504,1158 1.571,1159 1.511,1160 1.508,1161 2.085,1162 0.028,1163 4.452,1164 1.415,1165 4.136,1166 4.183,1167 4.115,1168 3.997,1169 6.494,1170 4.019,1171 3.889,1172 3.909,1173 3.842,1174 3.804,1175 6.446,1176 3.809,1177 3.783,1178 3.847,1179 3.749,1180 3.566,1181 5.269,1182 3.606,1183 3.398,1184 3.46,1185 3.325,1186 3.213,1187 5.021,1188 3.236,1189 3.167,1190 3.275,1191 2.992,1192 2.919,1193 4.688,1194 2.924,1195 2.999,1196 3.073,1197 2.909,1198 2.794,1199 4.534,1200 2.809,1201 2.992,1202 3.006,1203 2.897,1204 2.772,1205 4.288,1206 2.78,1207 2.921,1208 2.985,1209 2.821,1210 2.755,1211 4.015,1212 2.773,1213 0.162,1214 0.116,1215 0.239,1216 0.145,1217 0.113,1218 4.697,1219 0.16,1220 3.377,1221 0.014,1222 6.943,1223 0.406,1224 4.21,1225 0.105,1226 3.283,1227 4.634,1228 0.4,1229 11.777,1230 3.048,1231 1.924,1232 1.894,1233 2.012,1234 2.061,1235 1.119,1236 2.037,1237 1.869,1238 1.849,1239 1.956,1240 1.988,1241 1.038,1242 1.98,1243 1.701,1244 1.639,1245 1.807,1246 1.918,1247 0.795,1248 1.895,1249 1.36,1250 1.294,1251 1.513,1252 1.622,1253 0.571,1254 1.586,1255 1.128,1256 1.032,1257 1.377,1258 1.439,1259 0.245,1260 1.449,1261 0.964,1262 0.902,1263 1.15,1264 1.22,1265 0.181,1266 1.204,1267 0.898,1268 0.856,1269 1.127,1270 1.192,1271 0.143,1272 1.149,1273 0.88,1274 0.845,1275 1.099,1276 1.105,1277 0.084,1278 1.111,1279 4.078,1281 5.425,1282 2.398,1283 6.956,1284 4.844,1285 8.578,1286 7.05,1287 10.25,1289 1.723,1293 5.769,1294 19.388,1296 3.072,1305 27.687,1306 69.918,1307 154.847,1308 181.253,1309 200.905,1310 202.905,1311 202.905,1312 37.491,1313 7.544,1314 135,1315 135,1316 23,1317 12.657,1318 4.524,1319 3.585,1320 37.654,1321 82,1322 77,1323 0.221,1324 170.545,1325 277.8,1326 407.89,1327 18495,1329 18.259,1330 0.702,1331 0.529,1332 18.259,1333 13.749,1334 12.491,1335 0.431,1336 0.267,1337 7.616,1338 11.912,1339 7.462,1340 6.196,1341 12.491,1342 7.755,1343 11.978,1344 0.285,1345 0.135,1346 11.978,1347 5.663,1348 9.284,1349 0.169,1350 0.067,1351 9.284,1352 3.672,1353 8.977,1354 0.112,1355 0.034,1356 8.977,1357 2.697,1358 6.659,1359 0.067,1360 0.017,1361 6.659,1362 1.686,1363 0.334,1364 78.932,1365 0.228,1366 24.452,1367 0.652,1368 142,1369 446.17,1370 161.139,1371 438.426,1372 609.11,1373 408,1374 168,1375 471.652,1376 186.004,1377 474.785,1378 696.54,1379 447,1380 9.222}
{0 CHEMBL1765460,1 1.738,2 10.16,3 2.46,4 6.053,5 96.118,6 8.985,7 0.786,8 3.802,9 3.89,10 3.699,11 3.446,12 4.952,13 3.417,14 4.289,15 4.404,16 3.973,17 3.817,18 5.694,19 3.781,20 4.495,21 4.655,22 3.98,23 3.92,24 5.709,25 3.839,26 4.525,27 4.704,28 3.893,29 3.822,30 5.792,31 3.746,32 4.444,33 4.635,34 3.76,35 3.685,36 5.762,37 3.632,38 4.259,39 4.435,40 3.673,41 3.637,42 5.462,43 3.568,44 4.274,45 4.479,46 3.603,47 3.565,48 5.46,49 3.487,50 4.13,51 4.32,52 3.464,53 3.425,54 5.37,55 3.339,56 0.093,57 0.614,58 7.843,59 3.521,60 13.71,61 3.48,62 0.327,63 0.969,64 11.481,65 5.453,66 43.842,67 5.715,68 0.256,69 1.146,70 18.076,71 7.832,72 30.129,73 8.297,74 0.337,75 1.149,76 22.92,77 8.357,78 45.912,79 8.577,80 0.494,81 1.026,82 19.036,83 6.931,84 69.995,85 7.254,86 0.215,87 0.892,88 13.893,89 5.927,90 26.112,91 6.635,92 0.281,93 0.919,94 17.255,95 6.113,96 32.446,97 6.818,98 0.334,99 0.759,100 13.857,101 5.338,102 35.543,103 5.841,104 5,105 40,106 0.301,107 0.538,108 0.739,109 0.858,110 0.87,111 0.87,112 3.267,113 0.971,114 -2.84,115 -2.85,116 -2.76,119 46.2,142 8,143 2,144 2,145 3,151 2,161 1,172 8,174 2,175 4,178 2,180 1,183 7,187 9,190 1,192 3,195 4,199 9,204 3,207 1,211 3,212 6,217 2,220 2,224 5,227 1,229 1,232 4,236 1,237 4,245 5,249 2,250 3,253 1,258 5,263 2,271 5,275 850,276 16.971,277 16.971,278 16.971,279 16.971,280 16.971,281 14.16,282 6.038,283 10.014,284 17.368,285 13.864,286 13.864,287 13.864,288 13.864,289 13.864,290 9.657,291 3.814,292 4.772,293 14.533,294 3.548,295 2.176,296 1.013,297 0.327,298 0.256,299 0.256,300 3.965,303 1,304 1,305 1,306 563,307 3.162,310 59.156,311 226.089,314 100.427,318 1.539,319 26.615,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54,331 254,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.092,341 4.464,342 3.018,343 6.3,344 3.972,345 3.011,346 4.389,348 9.615,349 2.907,350 4.137,351 2.755,352 6.019,353 3.67,354 2.715,355 3.783,357 8.661,358 2.573,359 3.653,360 2.385,361 5.361,362 3.24,363 2.27,364 3.108,366 6.82,367 2.196,368 3.512,369 1.982,370 4.807,371 2.974,372 1.979,373 2.973,375 5.206,376 1.968,377 3.034,378 1.544,379 4.421,380 2.494,381 1.534,382 2.301,384 4.31,385 1.473,386 2.947,387 1.533,388 4.243,389 2.441,390 1.484,391 2.145,393 3.9,394 1.415,395 2.696,396 1.283,397 3.631,398 2.177,399 1.197,400 1.77,402 2.752,403 1.171,404 2.649,405 1.164,406 3.486,407 2.091,408 1.149,409 1.714,411 2.575,412 1.077,413 2.5,414 1,415 3.426,416 2,417 1,418 1.5,420 2.324,421 1,422 2.5,423 1,424 3.247,425 1.954,426 1,427 1.5,428 2.136,429 0.951,430 1.902,431 0.409,432 3.074,433 1.368,434 0.409,435 0.608,436 1.007,437 0.391,438 1.199,439 0.227,440 3.026,441 0.831,442 -0.12,443 -0.151,445 -0.344,446 -0.114,447 1,448 -0.115,449 2.593,450 0.43,451 -0.523,452 -0.712,454 -1.43,455 -0.497,456 0.89,457 -0.523,458 2.525,459 0.229,460 -0.73,461 -1.025,463 -1.645,464 -0.68,465 12.1,466 0.484,467 0.642,468 0.026,469 40,470 1.6,471 23.5,472 0.94,473 16.5,474 0.66,475 14.155,476 0.566,477 25.1,478 0.644,479 28.448,480 1.138,481 7.831,482 0.313,483 4.285,484 0.171,485 0.055,486 0.069,487 0.24,493 0.544,494 1.309,495 0.764,496 1.169,497 0.663,498 0.84,499 0.675,500 1.056,501 0.9,502 0.94,503 0.579,504 0.915,505 0.991,506 1.084,507 1.113,508 1.12,509 0.917,510 1.075,511 1.313,512 1.144,513 1.283,514 1.231,515 1.287,516 1.073,517 1.5,518 0.809,519 0.982,520 0.772,521 1.646,522 0.858,523 0.954,524 1.067,525 0.94,526 1.005,527 0.917,528 1.026,529 1.048,530 0.978,531 1.073,532 1.009,533 0.907,534 0.959,535 1.117,536 0.854,537 1.049,538 0.92,539 1.326,540 0.991,541 5.5,542 0.102,543 3.111,544 1.694,545 1.199,546 0.739,547 0.436,548 0.339,549 0.185,550 0.147,551 7603,552 22675,553 2.144,554 35.9,556 8,557 2,558 3,559 1,564 1.679,565 2.041,566 3.341,567 -0.277,568 1,569 1,571 1,573 67.769,574 1.738,575 3.109,576 4.272,577 4.958,578 5.029,579 5.029,580 2.759,581 4.214,582 4.619,583 3.481,584 1044.2,585 7.979,586 12567.1,587 1,588 1,590 1,591 206.131,592 1.383,593 4.584,594 0.196,595 0.006,596 0.078,597 0.045,598 0.035,599 0.024,600 0.015,601 0.013,602 0.008,603 0.008,604 0.429,605 0.33,606 1,607 0.477,608 120.472,609 0.094,610 -0.221,611 0.22,612 -0.132,613 -0.169,614 0.006,615 0.234,616 0.018,617 -0.056,618 -0.028,619 0.241,620 -0.091,621 -0.097,622 -0.087,623 -0.096,624 -0.099,625 -0.033,626 -0.125,627 -0.172,628 -0.165,629 -0.13,630 -0.15,631 -0.057,632 -0.083,633 -0.126,634 0.156,635 -0.025,636 0.161,637 -0.135,638 0.095,639 -0.066,640 -0.094,641 -0.037,642 -0.068,643 -0.058,644 -0.07,645 -0.092,646 0.023,647 -0.024,648 -0.009,649 -0.014,650 0.039,651 0.038,652 0.112,653 -0.038,654 0.065,655 -0.103,656 -0.01,657 4.56,658 5.438,659 0.84,660 19.76,661 1.014,662 1.113,663 1.614,664 2.605,665 0.728,666 3.367,667 3.714,668 3.97,669 4.22,670 4.394,671 4.431,672 4.585,673 4.663,674 4.682,675 4.771,676 6.068,677 0.701,678 350.43,679 3.367,680 4.92,681 5.771,682 6.658,683 7.523,684 8.412,685 9.282,686 10.171,687 11.044,688 11.933,689 10.3,694 1,697 1,699 2,703 1,704 13,705 2,709 4,711 22,731 39,733 24,734 1,735 28,737 42,738 18,739 18,740 1,741 5,746 4,747 5,761 18,766 2,769 1,771 2,777 1,778 1,781 14,782 5,783 1,784 7,785 1,787 1,790 4,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,848 25,852 1,855 1,870 5.1,873 2,877 12.25,878 6.933,879 5.347,880 2.114,881 4.093,882 1.556,883 1.054,884 3.902,885 11.451,886 3.738,887 4.422,888 5.003,889 5.608,890 6.123,891 6.408,892 6.893,893 7.282,894 7.534,895 7.954,896 0.857,897 38,898 9.424,900 4.305,901 7.89,902 17.36,904 14.498,905 2.39,906 59.75,910 153.024,911 139.248,912 51.263,914 44.313,916 5.807,917 133.441,918 197.337,919 51.263,922 99.712,923 131.318,924 39.107,925 23.542,926 94.169,928 153.024,929 184.704,930 44.313,931 5.807,933 153.024,934 44.313,937 30.144,938 104.583,939 55.783,941 153.024,942 95.575,943 139.248,945 5.807,946 153.024,947 12.394,948 122.334,949 16.405,950 77.884,951 153.024,952 95.575,953 139.248,955 0.587,956 0.34,957 0.182,958 0.093,959 21,960 8,961 0.095,962 4,963 1,964 1.095,965 3.765,966 210.841,967 0.095,968 21,969 106.096,973 1,974 15.67,975 6.226,976 3.213,977 0.845,978 94.289,979 22.499,980 8.364,984 2.343,986 16.405,987 387.848,988 41,991 -3.643,993 24.876,999 39.556,1000 43.408,1001 0.329,1002 0.588,1003 0.808,1004 0.938,1005 0.951,1006 0.951,1007 4.959,1008 1.197,1009 5.784,1010 3.9,1011 4.394,1012 5.109,1014 6.632,1015 4.3,1016 6.215,1017 1.149,1018 7.37,1019 2.752,1020 4.111,1021 5.121,1023 7.825,1024 3.921,1025 7.568,1026 1,1027 9.073,1028 2.575,1029 6.071,1030 7.477,1032 10.858,1033 5.853,1034 8.967,1035 1,1036 10.851,1037 2.324,1038 6.635,1039 8.335,1041 12.897,1042 6.297,1043 10.404,1044 0.409,1045 12.679,1046 2.136,1047 8.092,1048 10.175,1050 15.528,1051 7.722,1052 11.867,1053 -0.12,1054 14.542,1055 1.007,1056 9.018,1057 11.401,1059 17.868,1060 8.527,1061 13.351,1062 -0.523,1063 16.43,1064 -0.344,1065 10.294,1066 13.046,1068 20.401,1069 9.754,1070 3.391,1071 -0.73,1072 18.336,1073 -1.43,1074 11.375,1075 14.437,1077 22.851,1078 10.722,1079 3.011,1080 12.507,1081 20.257,1082 -1.645,1083 12.591,1084 16.006,1086 25.365,1087 11.871,1088 2.715,1089 9.615,1090 22.189,1091 4.704,1092 13.738,1093 17.47,1095 27.857,1096 12.913,1097 2.27,1098 8.661,1099 24.13,1100 4.389,1101 14.937,1102 19.011,1104 30.372,1105 14.032,1106 1.979,1107 6.82,1108 26.079,1109 3.783,1110 16.113,1111 20.51,1113 32.881,1114 15.109,1115 1.534,1116 5.206,1117 28.034,1118 3.108,1119 17.311,1120 22.042,1122 35.4,1123 16.219,1124 1.484,1125 4.31,1126 29.995,1127 2.973,1128 18.503,1129 23.557,1131 37.917,1132 17.313,1133 7088,1134 12401,1135 19.068,1136 28.387,1137 42.556,1138 42.861,1139 42.412,1140 42.324,1141 42.28,1142 60.996,1144 123.626,1145 40.429,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1153 19.85,1154 5.092,1155 8.53,1156 1.52,1157 1.531,1158 1.515,1159 1.512,1160 1.51,1161 2.178,1163 4.415,1164 1.444,1165 4.138,1166 4.176,1167 4.736,1168 4.076,1169 7.717,1170 4.026,1171 4.056,1172 4.047,1173 4.083,1174 3.968,1175 6.999,1176 3.947,1177 3.818,1178 3.859,1179 3.771,1180 3.704,1181 5.078,1182 3.716,1183 3.587,1184 3.572,1185 3.666,1186 3.51,1187 4.869,1188 3.437,1189 3.309,1190 3.354,1191 3.235,1192 3.199,1193 4.714,1194 3.195,1195 2.938,1196 2.998,1197 2.835,1198 2.822,1199 4.272,1200 2.815,1201 2.854,1202 2.925,1203 2.695,1204 2.735,1205 3.945,1206 2.715,1207 2.795,1208 2.871,1209 2.687,1210 2.604,1211 3.824,1212 2.612,1213 0.173,1214 0.167,1215 0.261,1216 0.154,1217 0.121,1218 4.855,1219 0.168,1220 4.685,1222 7.308,1223 0.447,1224 4.31,1225 0.11,1226 3.391,1227 4.704,1229 12.507,1230 3.092,1231 1.99,1232 1.982,1233 2.046,1234 2.102,1235 1.184,1236 2.102,1237 1.937,1238 1.919,1239 1.994,1240 2.019,1241 1.139,1242 2.045,1243 1.721,1244 1.68,1245 1.812,1246 1.875,1247 0.884,1248 1.867,1249 1.405,1250 1.435,1251 1.565,1252 1.589,1253 0.57,1254 1.601,1255 1.397,1256 1.34,1257 1.228,1258 1.558,1259 0.539,1260 1.584,1261 0.971,1262 0.932,1263 1.181,1264 1.141,1265 0.234,1266 1.135,1267 0.886,1268 0.821,1269 1.091,1270 1.062,1271 0.218,1272 1.107,1273 0.769,1274 0.692,1275 1.039,1276 0.996,1277 0.061,1278 1.019,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.595,1285 8.529,1286 6.581,1287 10.186,1296 2.567,1305 27.336,1306 67.769,1307 121.27,1308 166.621,1309 193.376,1310 196.131,1311 196.131,1312 39.353,1313 7.358,1314 76.36,1315 84.74,1316 23,1317 12.466,1318 4.644,1319 3.807,1320 35.976,1321 92,1322 82,1323 0.192,1324 170.886,1325 280.61,1326 408.721,1327 15874,1329 17.278,1330 0.691,1331 0.556,1332 17.528,1333 13.888,1334 12.116,1335 0.433,1336 0.324,1337 7.607,1338 10.944,1339 7.338,1340 6.096,1341 12.937,1342 9.061,1343 11.345,1344 0.284,1345 0.179,1346 12.645,1347 7.174,1348 9.345,1349 0.18,1350 0.099,1351 10.45,1352 5.163,1353 7.908,1354 0.118,1355 0.054,1356 8.949,1357 3.613,1358 6.07,1359 0.076,1360 0.03,1361 6.924,1362 2.367,1363 0.301,1364 83.818,1365 0.229,1366 24.272,1367 0.528,1368 136,1369 415.6,1370 184.487,1371 429.317,1372 588.69,1373 396,1374 160,1375 414.202,1376 217.612,1377 458.563,1378 664.53,1379 429,1380 6.444}
{0 CHEMBL1765461,1 1.75,2 10.964,3 2.492,4 6.208,5 106.398,6 8.92,7 0.71,8 3.912,9 3.999,10 3.782,11 3.543,12 5.087,13 3.518,14 4.408,15 4.53,16 4.079,17 3.911,18 5.812,19 3.883,20 4.619,21 4.764,22 4.13,23 4.031,24 5.906,25 3.972,26 4.683,27 4.852,28 4.079,29 3.978,30 6.017,31 3.924,32 4.641,33 4.835,34 3.923,35 3.876,36 5.952,37 3.822,38 4.455,39 4.629,40 3.843,41 3.82,42 5.679,43 3.756,44 4.468,45 4.662,46 3.789,47 3.761,48 5.694,49 3.69,50 4.382,51 4.572,52 3.686,53 3.635,54 5.677,55 3.561,56 0.107,57 0.678,58 8.622,59 4.01,60 14.9,61 4.037,62 0.36,63 1.072,64 13.598,65 6.389,66 48.566,67 6.873,68 0.394,69 1.278,70 19.871,71 8.59,72 44.453,73 8.825,74 0.48,75 1.34,76 25.259,77 9.172,78 56.586,79 9.368,80 0.605,81 1.236,82 22.805,83 8.312,84 85.274,85 8.969,86 0.29,87 1.057,88 16.853,89 7.298,90 36.699,91 8.273,92 0.345,93 1.084,94 19.833,95 7.402,96 39.082,97 8.407,98 0.466,99 0.954,100 17.674,101 6.782,102 55.902,103 7.6,104 18,105 45,106 0.295,107 0.604,108 0.759,109 0.853,110 0.864,111 0.864,112 3.375,113 0.962,114 -2.74,115 -2.76,116 -2.68,119 45.5,120 1,142 8,143 2,144 2,145 3,151 1,152 1,157 1,161 1,172 8,174 2,175 5,178 2,180 1,183 7,186 1,187 10,190 1,192 3,195 4,198 1,199 10,204 3,207 1,211 3,212 8,217 2,220 4,224 7,227 1,229 1,232 6,236 1,237 5,245 6,249 3,250 4,253 1,258 5,263 2,266 1,268 1,271 5,275 1182,276 18.679,277 18.679,278 18.679,279 18.679,280 18.679,281 15.73,282 8.466,283 10.87,284 19.01,285 15.316,286 15.316,287 15.316,288 15.316,289 15.316,290 10.824,291 5.656,292 5.145,293 15.899,294 3.709,295 1.876,296 0.961,297 0.398,298 0.335,299 0.335,300 4.068,304 1,305 1,306 668,307 3.674,310 66.493,311 257.051,314 114.252,318 1.686,319 36.404,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61,331 307,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 1.277,339 12.507,340 3.094,341 4.607,342 3.588,343 6.683,344 4.116,345 3.163,346 4.55,348 10.774,349 3.018,350 4.193,351 3.004,352 6.148,353 3.803,354 2.815,355 3.816,357 9.09,358 2.778,359 3.752,360 2.762,361 5.525,362 3.34,363 2.352,364 3.187,366 6.988,367 2.315,368 3.604,369 2.393,370 5.355,371 3.178,372 2.195,373 3.05,375 6.689,376 2.147,377 3.502,378 1.984,379 4.807,380 2.97,381 1.976,382 2.914,384 5.206,385 1.963,386 2.962,387 1.737,388 4.421,389 2.442,390 1.487,391 2.164,393 4.182,394 1.421,395 2.921,396 1.54,397 4.236,398 2.407,399 1.418,400 2.067,402 3.68,403 1.391,404 2.696,405 1.29,406 3.669,407 2.177,408 1.193,409 1.766,411 2.755,412 1.171,413 2.648,414 1.2,415 3.627,416 2.091,417 1.146,418 1.704,420 2.629,421 1.078,422 2.511,423 1.07,424 3.478,425 2,426 1,427 1.5,428 2.462,429 1,430 2.5,431 1,432 3.247,433 1.968,434 1,435 1.491,436 2.136,437 0.963,438 2,439 0.636,440 3.172,441 1.469,442 0.498,443 0.731,445 1.238,446 0.481,447 1.2,448 0.269,449 3.066,450 0.831,451 -0.12,452 -0.151,454 -0.343,455 -0.114,456 1,457 0.227,458 2.62,459 0.494,460 -0.465,461 -0.624,463 -1.253,464 -0.443,465 13.433,466 0.48,467 0.821,468 0.029,469 43.25,470 1.545,471 25,472 0.893,473 18.25,474 0.652,475 17.906,476 0.639,477 28.567,478 0.649,479 33.434,480 1.194,481 8.488,482 0.303,483 4.949,484 0.177,485 0.112,486 0.062,487 0.29,493 0.534,494 1.306,495 0.756,496 1.169,497 0.624,498 0.861,499 0.637,500 1.08,501 0.827,502 0.933,503 0.567,504 0.872,505 1.055,506 1.114,507 1.105,508 1.086,509 1.027,510 1.043,511 1.241,512 1.135,513 1.25,514 1.177,515 1.14,516 1.048,517 1.312,518 0.817,519 0.983,520 0.79,521 1.323,522 0.893,523 0.891,524 1.053,525 0.915,526 1.003,527 0.857,528 1.031,529 0.949,530 1.05,531 1.037,532 1.055,533 0.841,534 1.021,535 1.031,536 0.93,537 0.996,538 0.929,539 1.188,540 1.006,541 6.5,542 0.202,543 3.778,544 2.194,545 1.569,546 0.969,547 0.638,548 0.424,549 0.263,550 0.218,551 9912,552 31277,553 2.085,554 36.4,556 8,557 1,558 3,559 1,560 3,564 1.71,565 1.942,566 3.443,567 -0.288,568 1,569 1,573 77.022,574 1.75,575 3.584,576 4.499,577 5.061,578 5.124,579 5.124,580 2.897,581 4.236,582 4.782,583 3.596,584 1359.31,585 8.311,586 17826.7,588 1,590 1,591 240.215,592 1.572,593 4.728,594 0.21,595 0.01,596 0.084,597 0.049,598 0.037,599 0.026,600 0.018,601 0.013,602 0.009,603 0.009,604 0.466,605 0.33,606 1,607 0.744,608 140.396,609 0.066,610 -0.205,611 0.203,612 -0.117,613 -0.135,614 0.006,615 0.195,616 -0.006,617 0.029,618 0.003,619 0.181,620 -0.01,621 -0.102,622 -0.09,623 -0.114,624 -0.076,625 -0.084,626 -0.12,627 -0.154,628 -0.114,629 -0.153,630 -0.135,631 -0.047,632 -0.095,633 -0.138,634 0.161,635 -0.048,636 0.128,637 -0.124,638 0.065,639 -0.061,640 -0.084,641 -0.029,642 -0.063,643 -0.052,644 -0.061,645 -0.074,646 -0.059,647 -0.037,648 -0.071,649 -0.016,650 -0.025,651 0.055,652 0.034,653 -0.015,654 0.033,655 -0.077,656 -0.023,657 4.622,658 5.52,659 0.75,660 24.587,661 1.017,662 1.114,663 1.513,664 2.289,665 0.718,666 3.466,667 3.829,668 4.094,669 4.357,670 4.554,671 4.625,672 4.762,673 4.868,674 4.942,675 5.043,676 6.562,677 0.695,678 392.47,679 3.466,680 5.03,681 5.889,682 6.786,683 7.662,684 8.561,685 9.443,686 10.343,687 11.228,688 12.129,689 9.1,694 1,697 1,699 2,703 1,704 12,705 2,709 5,711 22,716 1,731 44,733 25,734 1,735 31,737 47,738 20,739 18,740 1,741 5,742 1,746 4,747 5,752 1,761 19,762 1,766 3,769 1,771 3,775 1,778 1,781 16,782 6,783 1,784 8,785 1,787 1,790 4,794 0.75,795 3,805 2,811 1,812 3,815 1,840 3,842 1,844 1,848 28,852 1,855 1,870 6.8,873 3,877 14.417,878 8.267,879 5.986,880 2.424,881 4.219,882 1.55,883 1.031,884 4.616,885 11.894,886 3.829,887 4.514,888 5.104,889 5.725,890 6.264,891 6.597,892 7.069,893 7.488,894 7.813,895 8.239,896 1,897 45,898 10.568,900 4.833,901 8.003,902 19.287,904 16.034,905 2.503,906 70.083,909 1,910 176.567,911 146.916,912 51.263,914 69.458,916 5.807,917 141.109,918 246.024,919 51.263,920 8.825,922 90.665,923 161.596,924 39.107,925 14.528,926 129.482,928 176.567,929 192.372,930 69.458,931 5.807,933 176.567,934 69.458,937 38.969,938 103.426,939 55.783,941 176.567,942 120.72,943 146.916,945 5.807,946 176.567,947 20.284,948 122.111,949 16.405,950 103.029,951 176.567,952 120.72,953 146.916,955 0.593,956 0.344,957 0.184,958 0.097,959 23,960 10,961 0.106,962 5,963 1,964 1.095,965 3.926,966 247.979,967 0.095,968 21,969 128.606,973 1,974 18.206,975 7.099,976 3.651,977 0.655,978 119.434,979 19.851,980 8.354,984 2.482,986 16.405,987 444.203,988 45,991 -3.706,993 36.805,997 -0.091,999 44.767,1000 49.033,1001 0.321,1002 0.656,1003 0.824,1004 0.927,1005 0.939,1006 0.939,1007 5.066,1008 1.418,1009 5.916,1010 4.182,1011 4.511,1012 5.201,1013 1.45,1014 6.786,1015 4.435,1016 6.33,1017 1.193,1018 7.519,1019 3.68,1020 4.29,1021 5.263,1023 7.993,1024 4.144,1025 7.69,1026 1.146,1027 9.236,1028 2.755,1029 6.205,1030 7.57,1031 1.845,1032 11.041,1033 6.02,1034 9.093,1035 1,1036 11.024,1037 2.629,1038 6.804,1039 8.459,1041 13.072,1042 6.523,1043 10.532,1044 1,1045 12.857,1046 2.462,1047 8.241,1048 10.277,1049 2.271,1050 15.713,1051 7.919,1052 11.998,1053 0.498,1054 14.722,1055 2.136,1056 9.185,1057 11.525,1059 18.039,1060 8.76,1061 13.483,1062 -0.12,1063 16.61,1064 1.238,1065 10.455,1066 13.164,1067 2.72,1068 20.57,1069 9.975,1070 3.391,1071 -0.465,1072 18.515,1073 -0.343,1074 11.543,1075 14.57,1077 23.005,1078 10.965,1079 3.163,1080 12.507,1081 20.433,1082 -1.253,1083 12.757,1084 16.141,1085 3.184,1086 25.511,1087 12.111,1088 2.815,1089 10.774,1090 22.361,1091 4.704,1092 13.907,1093 17.617,1095 27.989,1096 13.166,1097 2.352,1098 9.09,1099 24.298,1100 4.55,1101 15.104,1102 19.162,1103 3.658,1104 30.492,1105 14.287,1106 2.195,1107 6.988,1108 26.241,1109 3.816,1110 16.281,1111 20.669,1113 32.989,1114 15.371,1115 1.976,1116 6.689,1117 28.19,1118 3.187,1119 17.476,1120 22.206,1121 4.138,1122 35.496,1123 16.484,1124 1.487,1125 5.206,1126 30.144,1127 3.05,1128 18.666,1129 23.728,1131 38.003,1132 17.583,1133 9413,1134 16885,1135 20.572,1136 31.602,1137 47.758,1138 48.547,1139 48.194,1140 47.298,1141 47.266,1142 67.291,1143 2.555,1144 140.67,1145 45.64,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1152 2.555,1153 19.85,1154 5.094,1155 13.617,1156 1.541,1157 1.566,1158 1.555,1159 1.526,1160 1.525,1161 2.171,1162 0.082,1163 4.538,1164 1.472,1165 4.152,1166 4.189,1167 4.736,1168 4.078,1169 7.717,1170 4.04,1171 4.061,1172 4.049,1173 4.11,1174 3.983,1175 7.428,1176 3.954,1177 3.827,1178 3.865,1179 3.784,1180 3.72,1181 6.999,1182 3.731,1183 3.596,1184 3.589,1185 3.667,1186 3.518,1187 5.047,1188 3.453,1189 3.487,1190 3.51,1191 3.414,1192 3.352,1193 4.862,1194 3.346,1195 3.195,1196 3.255,1197 3.102,1198 3.021,1199 4.714,1200 3.028,1201 2.915,1202 2.98,1203 2.789,1204 2.786,1205 4.262,1206 2.776,1207 2.854,1208 2.925,1209 2.694,1210 2.735,1211 3.945,1212 2.715,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.109,1218 4.855,1219 0.152,1220 4.685,1221 0.041,1222 7.308,1223 0.403,1224 4.31,1225 0.1,1226 3.391,1227 4.704,1228 1.277,1229 12.507,1230 3.094,1231 1.992,1232 1.983,1233 2.047,1234 2.107,1235 1.189,1236 2.104,1237 1.939,1238 1.924,1239 1.994,1240 2.021,1241 1.144,1242 2.047,1243 1.733,1244 1.695,1245 1.826,1246 1.885,1247 0.905,1248 1.876,1249 1.568,1250 1.536,1251 1.737,1252 1.747,1253 0.77,1254 1.743,1255 1.404,1256 1.433,1257 1.415,1258 1.558,1259 0.559,1260 1.598,1261 1.157,1262 1.086,1263 1.223,1264 1.395,1265 0.451,1266 1.409,1267 0.944,1268 0.895,1269 1.181,1270 1.123,1271 0.23,1272 1.12,1273 0.886,1274 0.821,1275 1.082,1276 1.062,1277 0.218,1278 1.107,1279 4.143,1281 5.493,1282 2.398,1283 7.036,1284 4.727,1285 8.662,1286 6.843,1287 10.33,1289 1.483,1296 2.543,1305 30.578,1306 77.022,1307 157.686,1308 197.95,1309 222.705,1310 225.46,1311 225.46,1312 54.74,1313 7.675,1314 93.43,1315 101.81,1316 23,1317 12.653,1318 4.7,1319 3.907,1320 42.477,1321 111,1322 104,1323 0.187,1324 191.139,1325 321.36,1326 458.14,1327 23350,1329 19.725,1330 0.704,1331 0.561,1332 19.975,1333 15.719,1334 13.437,1335 0.433,1336 0.321,1337 8.469,1338 12.2,1339 8.131,1340 6.761,1341 14.259,1342 9.936,1343 12.803,1344 0.285,1345 0.176,1346 14.103,1347 7.909,1348 10.381,1349 0.176,1350 0.096,1351 11.485,1352 5.641,1353 8.802,1354 0.114,1355 0.051,1356 9.843,1357 3.934,1358 6.879,1359 0.073,1360 0.028,1361 7.732,1362 2.601,1363 0.294,1364 92.286,1365 0.22,1366 26.657,1367 0.513,1368 152,1369 487.335,1370 202.924,1371 495.429,1372 672.2,1373 456,1374 180,1375 470.19,1376 239.995,1377 514.332,1378 747.08,1379 481,1380 8.699}
{0 CHEMBL1765462,1 1.761,2 10.852,3 2.631,4 6.92,5 101.733,6 9.386,7 0.733,8 3.829,9 3.912,10 3.75,11 3.485,12 5.058,13 3.465,14 4.306,15 4.414,16 4.031,17 3.852,18 5.738,19 3.826,20 4.525,21 4.674,22 4.078,23 3.976,24 5.815,25 3.913,26 4.577,27 4.749,28 4.003,29 3.893,30 5.938,31 3.835,32 4.485,33 4.669,34 3.857,35 3.757,36 5.861,37 3.717,38 4.308,39 4.475,40 3.777,41 3.712,42 5.594,43 3.659,44 4.323,45 4.514,46 3.72,47 3.646,48 5.612,49 3.586,50 4.205,51 4.392,52 3.601,53 3.503,54 5.563,55 3.441,56 0.104,57 0.633,58 6.886,59 3.434,60 15.583,61 3.122,62 0.337,63 0.991,64 10.005,65 5.307,66 44.983,67 5.199,68 0.305,69 1.205,70 16.45,71 7.696,72 31.551,73 7.729,74 0.415,75 1.245,76 22.284,77 8.456,78 56.477,79 8.195,80 0.542,81 1.09,82 18.383,83 7.037,84 81.878,85 6.915,86 0.258,87 0.954,88 13.063,89 5.915,90 34.458,91 6.244,92 0.312,93 0.986,94 16.323,95 6.181,96 36.36,97 6.474,98 0.392,99 0.851,100 13.846,101 5.456,102 52.55,103 5.674,104 11,105 43,106 0.301,107 0.577,108 0.748,109 0.854,110 0.866,111 0.866,112 3.34,113 0.946,114 -2.52,115 -2.54,116 -2.48,119 47.5,142 8,143 2,144 2,145 3,151 1,152 1,158 1,161 1,172 8,174 2,175 4,178 2,180 1,183 7,186 1,187 9,190 1,192 3,195 4,198 1,199 9,204 3,207 1,211 3,212 8,217 2,220 2,224 7,227 1,229 1,232 4,236 1,237 5,245 5,249 3,250 3,253 1,258 5,263 2,266 1,271 5,275 1055,276 18.342,277 18.342,278 18.342,279 18.342,280 18.342,281 15.446,282 9.362,283 10.71,284 18.733,285 14.769,286 14.769,287 14.769,288 14.769,289 14.769,290 10.3,291 6.158,292 4.997,293 15.453,294 3.561,295 1.944,296 0.938,297 0.319,298 0.25,299 0.25,300 4.036,303 1,304 1,305 1,306 641,307 3.391,310 63.949,311 246.5,314 109.471,318 1.657,319 32.929,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 293,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 2.035,339 12.507,340 3.093,341 4.585,342 4.072,343 6.564,344 4.062,345 3.117,346 4.536,348 10.418,349 2.959,350 4.184,351 3.08,352 6.125,353 3.764,354 2.789,355 3.811,357 9.017,358 2.701,359 3.715,360 2.814,361 5.366,362 3.267,363 2.295,364 3.139,366 6.847,367 2.225,368 3.586,369 2.413,370 5.107,371 2.994,372 2.004,373 3.009,375 5.869,376 1.986,377 3.5,378 2.006,379 4.807,380 2.915,381 1.943,382 2.798,384 5.205,385 1.881,386 3.023,387 1.955,388 4.353,389 2.442,390 1.486,391 2.156,393 4.121,394 1.418,395 2.948,396 1.54,397 4.078,398 2.202,399 1.26,400 1.877,402 3.278,403 1.186,404 2.699,405 1.301,406 3.63,407 2.161,408 1.174,409 1.757,411 2.745,412 1.154,413 2.665,414 1.232,415 3.479,416 2.049,417 1.101,418 1.651,420 2.531,421 1.04,422 2.544,423 1.1,424 3.264,425 2,426 1,427 1.5,428 2.136,429 1,430 2.5,431 1,432 3.247,433 1.72,434 0.774,435 1.248,436 1.706,437 0.73,438 2.054,439 0.726,440 3.067,441 1.188,442 0.251,443 0.469,445 0.399,446 0.235,447 1.2,448 0.227,449 2.672,450 0.831,451 -0.12,452 -0.151,454 -0.343,455 -0.114,456 1,457 -0.114,458 2.58,459 0.468,460 -0.481,461 -0.682,463 -1.188,464 -0.455,465 13,466 0.481,467 0.693,468 0.026,469 44.25,470 1.639,471 26.5,472 0.981,473 17.75,474 0.657,475 15.466,476 0.573,477 26.6,478 0.665,479 32.635,480 1.209,481 8.565,482 0.317,483 4.5,484 0.167,485 0.082,486 0.064,487 0.262,493 0.55,494 1.264,495 0.751,496 1.156,497 0.605,498 0.814,499 0.655,500 1.061,501 0.884,502 0.95,503 0.534,504 0.907,505 0.954,506 1.066,507 1.104,508 1.127,509 0.824,510 1.073,511 1.291,512 1.103,513 1.292,514 1.219,515 1.202,516 1.072,517 1.484,518 0.805,519 0.999,520 0.769,521 1.492,522 0.861,523 0.969,524 1.048,525 0.952,526 0.995,527 0.928,528 1.023,529 1.046,530 1.043,531 1.098,532 1.057,533 0.913,534 1.012,535 1.108,536 0.842,537 1.038,538 0.89,539 1.304,540 0.964,541 6,542 0.169,543 3.556,544 2.042,545 1.364,546 0.941,547 0.517,548 0.392,549 0.217,550 0.202,551 9101,552 29733,553 2.11,554 32.5,556 8,557 1,558 3,559 1,564 1.7,565 1.988,566 3.419,567 -0.272,568 1,569 1,573 70.451,574 1.761,575 3.378,576 4.384,577 5.003,578 5.072,579 5.072,580 2.876,581 4.31,582 4.729,583 3.562,584 1250.31,585 8.204,586 15957.7,587 1,588 1,590 1,591 212.877,592 1.481,593 4.685,594 0.2,595 0.008,596 0.083,597 0.047,598 0.035,599 0.027,600 0.016,601 0.013,602 0.008,603 0.01,604 0.447,605 0.33,606 1,607 0.704,608 133.72,609 0.077,610 -0.207,611 0.206,612 -0.138,613 -0.111,614 0.002,615 0.223,616 -0.019,617 -0.056,618 -0.041,619 0.184,620 -0.096,621 -0.069,622 -0.082,623 -0.093,624 -0.107,625 -0.02,626 -0.127,627 -0.168,628 -0.124,629 -0.138,630 -0.136,631 -0.062,632 -0.069,633 -0.159,634 0.15,635 -0.031,636 0.182,637 -0.162,638 0.119,639 -0.093,640 -0.083,641 -0.051,642 -0.058,643 -0.082,644 -0.063,645 -0.11,646 -0.052,647 -0.054,648 -0.054,649 -0.041,650 -0.004,651 0.038,652 0.137,653 -0.018,654 0.095,655 -0.109,656 0.031,657 4.614,658 5.486,659 0.778,660 23.188,661 1.019,662 1.112,663 1.285,664 1.652,665 0.741,666 3.434,667 3.784,668 4.06,669 4.317,670 4.511,671 4.564,672 4.71,673 4.812,674 4.868,675 4.963,676 6.407,677 0.721,678 375.44,679 3.434,680 4.99,681 5.849,682 6.742,683 7.616,684 8.512,685 9.392,686 10.288,687 11.17,688 12.067,689 12.5,694 1,697 1,698 1,699 2,703 1,704 12,705 2,709 5,711 22,713 1,731 40,733 25,734 1,735 30,737 43,738 19,739 18,740 1,741 5,746 4,747 5,760 1,761 18,766 2,769 1,771 2,777 1,778 1,781 13,782 6,783 1,784 8,785 1,787 1,790 5,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,848 27,852 1,855 1,861 1,866 1,868 1,870 5,873 2,877 13.583,878 7.3,879 5.875,880 2.182,881 4.315,882 1.569,883 1.041,884 4.272,885 11.894,886 3.829,887 4.491,888 5.104,889 5.725,890 6.264,891 6.597,892 7.069,893 7.488,894 7.813,895 8.239,896 1,897 43,898 10.146,900 4.637,901 8.015,902 18.468,904 15.342,905 2.515,906 67.917,909 1,910 141.253,911 149.56,912 82.322,914 44.313,916 5.807,917 143.752,918 185.566,919 82.322,922 90.665,923 147.919,924 70.167,925 14.528,926 94.169,928 141.253,929 226.074,930 44.313,931 5.807,933 141.253,934 44.313,937 61.203,938 114.895,939 55.783,941 141.253,942 126.635,943 149.56,945 5.807,946 141.253,947 15.151,948 113.286,949 33.007,950 108.943,951 141.253,952 126.635,953 149.56,955 0.586,956 0.347,957 0.188,958 0.098,959 22,960 9,961 0.093,962 4,963 1,964 1.095,965 3.88,966 235.154,967 0.095,968 21,969 122.382,973 1,974 17.083,975 6.753,976 3.355,977 0.657,978 125.348,979 19.798,980 8.289,984 2.435,986 16.405,987 417.448,988 45,991 -3.697,993 24.971,999 40.774,1000 44.491,1001 0.331,1002 0.635,1003 0.824,1004 0.94,1005 0.953,1006 0.953,1007 5.066,1008 1.26,1009 5.866,1010 4.121,1011 4.466,1012 5.179,1013 2.228,1014 6.73,1015 4.373,1016 6.33,1017 1.174,1018 7.463,1019 3.278,1020 4.205,1021 5.198,1023 7.934,1024 4.022,1025 7.686,1026 1.101,1027 9.175,1028 2.745,1029 6.155,1030 7.553,1031 3.563,1032 10.977,1033 5.941,1034 9.086,1035 1,1036 10.959,1037 2.531,1038 6.735,1039 8.424,1041 13.012,1042 6.406,1043 10.521,1044 0.774,1045 12.791,1046 2.136,1047 8.186,1048 10.261,1049 4.962,1050 15.648,1051 7.821,1052 11.984,1053 0.251,1054 14.655,1055 1.706,1056 9.122,1057 11.502,1059 17.979,1060 8.64,1061 13.467,1062 -0.12,1063 16.543,1064 0.399,1065 10.397,1066 13.148,1067 6.378,1068 20.508,1069 9.863,1070 3.391,1071 -0.481,1072 18.448,1073 -0.343,1074 11.483,1075 14.552,1077 22.948,1078 10.84,1079 3.117,1080 12.507,1081 20.367,1082 -1.188,1083 12.699,1084 16.125,1085 7.797,1086 25.454,1087 11.987,1088 2.789,1089 10.418,1090 22.296,1091 4.704,1092 13.847,1093 17.6,1095 27.936,1096 13.034,1097 2.295,1098 9.017,1099 24.234,1100 4.536,1101 15.045,1102 19.145,1103 9.217,1104 30.442,1105 14.154,1106 2.004,1107 6.847,1108 26.18,1109 3.811,1110 16.222,1111 20.652,1113 32.943,1114 15.233,1115 1.943,1116 5.869,1117 28.131,1118 3.139,1119 17.417,1120 22.188,1121 10.638,1122 35.453,1123 16.343,1124 1.486,1125 5.205,1126 30.086,1127 3.009,1128 18.607,1129 23.71,1131 37.963,1132 17.437,1133 8597,1134 15701,1135 20.167,1136 29.631,1137 46.715,1138 48.826,1139 46.257,1140 45.187,1141 45.17,1142 65.309,1143 4.069,1144 133.558,1145 43.216,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1152 4.069,1153 19.85,1154 5.093,1155 11.432,1156 1.557,1157 1.628,1158 1.542,1159 1.506,1160 1.506,1161 2.177,1162 0.136,1163 4.452,1164 1.441,1165 4.147,1166 4.185,1167 4.736,1168 4.077,1169 7.717,1170 4.036,1171 4.06,1172 4.048,1173 4.105,1174 3.98,1175 6.999,1176 3.953,1177 3.824,1178 3.863,1179 3.781,1180 3.715,1181 6.82,1182 3.727,1183 3.59,1184 3.577,1185 3.667,1186 3.514,1187 5.04,1188 3.444,1189 3.382,1190 3.418,1191 3.339,1192 3.28,1193 4.861,1194 3.279,1195 3.035,1196 3.091,1197 3.004,1198 2.884,1199 4.714,1200 2.898,1201 2.854,1202 2.925,1203 2.736,1204 2.735,1205 4.258,1206 2.715,1207 2.832,1208 2.906,1209 2.689,1210 2.632,1211 3.945,1212 2.655,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.855,1219 0.157,1220 4.685,1221 0.068,1222 7.308,1223 0.417,1224 4.31,1225 0.103,1226 3.391,1227 4.704,1228 2.035,1229 12.507,1230 3.093,1231 1.991,1232 1.983,1233 2.044,1234 2.104,1235 1.186,1236 2.102,1237 1.938,1238 1.922,1239 1.994,1240 2.019,1241 1.14,1242 2.045,1243 1.727,1244 1.687,1245 1.811,1246 1.878,1247 0.885,1248 1.868,1249 1.484,1250 1.452,1251 1.567,1252 1.644,1253 0.566,1254 1.627,1255 1.404,1256 1.426,1257 1.229,1258 1.558,1259 0.53,1260 1.597,1261 1.004,1262 0.964,1263 1.181,1264 1.182,1265 0.232,1266 1.165,1267 0.886,1268 0.821,1269 1.099,1270 1.062,1271 0.218,1272 1.107,1273 0.772,1274 0.7,1275 1.039,1276 1,1277 0.059,1278 1.02,1279 4.111,1281 5.451,1282 2.398,1283 6.991,1284 4.727,1285 8.615,1286 6.823,1287 10.281,1296 2.538,1303 9.166,1304 2.082,1305 28.831,1306 70.451,1307 135.103,1308 175.367,1309 200.122,1310 202.877,1311 202.877,1312 48.365,1313 7.58,1314 100.15,1315 108.53,1316 23,1317 12.594,1318 4.7,1319 4,1320 40.255,1321 105,1322 96,1323 0.189,1324 181.417,1325 303.63,1326 434.419,1327 20792,1329 18.855,1330 0.698,1331 0.547,1332 19.105,1333 14.758,1334 13.065,1335 0.435,1336 0.315,1337 7.995,1338 11.858,1339 7.718,1340 6.41,1341 13.886,1342 9.455,1343 12.063,1344 0.281,1345 0.174,1346 13.364,1347 7.464,1348 10.142,1349 0.178,1350 0.095,1351 11.246,1352 5.395,1353 8.556,1354 0.116,1355 0.051,1356 9.597,1357 3.757,1358 6.697,1359 0.074,1360 0.028,1361 7.551,1362 2.484,1363 0.296,1364 89.826,1365 0.223,1366 25.873,1367 0.517,1368 146,1369 467.245,1370 195.514,1371 483.116,1372 656.44,1373 444,1374 173,1375 459.963,1376 231.806,1377 506.34,1378 732.72,1379 473,1380 7.959}
{0 CHEMBL1765463,1 1.766,2 12.2,3 2.956,4 8.737,5 112.271,6 8.802,7 0.667,8 3.999,9 4.084,10 3.845,11 3.59,12 5.168,13 3.574,14 4.505,15 4.627,16 4.136,17 3.949,18 5.909,19 3.927,20 4.699,21 4.856,22 4.192,23 4.067,24 5.949,25 4.015,26 4.745,27 4.898,28 4.171,29 4.012,30 6.121,31 3.98,32 4.7,33 4.871,34 4.039,35 3.932,36 6.045,37 3.907,38 4.601,39 4.773,40 3.975,41 3.934,42 5.815,43 3.884,44 4.633,45 4.832,46 3.906,47 3.892,48 5.827,49 3.823,50 4.53,51 4.718,52 3.811,53 3.765,54 5.79,55 3.695,56 0.131,57 0.734,58 9.598,59 4.459,60 16.931,61 4.537,62 0.532,63 1.149,64 16.043,65 7.12,66 61.206,67 7.623,68 0.509,69 1.353,70 23.16,71 9.437,72 42.072,73 10.146,74 0.613,75 1.371,76 26.781,77 9.599,78 71.285,79 9.713,80 0.718,81 1.283,82 23.472,83 8.383,84 96.018,85 8.681,86 0.408,87 1.228,88 19.403,89 7.97,90 40.102,91 8.959,92 0.46,93 1.252,94 23.415,95 8.505,96 46.805,97 9.893,98 0.599,99 1.07,100 20.679,101 7.813,102 63.902,103 8.918,104 20,105 47,106 0.293,107 0.618,108 0.774,109 0.86,110 0.869,111 0.869,112 3.441,113 0.967,114 -3.03,115 -3.03,116 -2.92,119 43.8,120 1,125 1,142 8,143 2,144 2,145 3,151 1,152 1,158 1,161 1,172 8,174 3,175 5,178 2,180 1,183 7,186 2,187 9,190 1,192 3,195 4,198 2,199 10,204 3,207 1,211 3,212 11,217 2,220 2,224 10,227 1,229 1,232 4,236 1,237 6,245 7,249 4,250 3,253 1,258 7,263 2,266 2,271 6,275 1480,276 20.256,277 20.256,278 20.256,279 20.256,280 20.256,281 17.36,282 10.38,283 11.98,284 20.828,285 16.274,286 16.274,287 16.274,288 16.274,289 16.274,290 11.799,291 7.075,292 5.6,293 17.118,294 3.819,295 1.862,296 0.922,297 0.406,298 0.349,299 0.349,300 4.134,304 1,305 1,306 788,307 3.937,310 72.255,311 279.784,314 124.982,318 1.867,319 40.49,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66,331 366,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 1.674,339 12.507,340 3.093,341 4.612,342 3.689,343 6.702,344 4.119,345 3.172,346 4.551,348 10.855,349 3.006,350 4.196,351 3.018,352 6.153,353 3.806,354 2.822,355 3.817,357 9.112,358 2.768,359 3.786,360 2.772,361 5.615,362 3.362,363 2.396,364 3.207,366 7.26,367 2.304,368 3.62,369 2.395,370 5.358,371 3.196,372 2.231,373 3.061,375 6.781,376 2.144,377 3.505,378 1.984,379 4.807,380 2.972,381 1.977,382 2.929,384 5.206,385 1.963,386 2.997,387 1.834,388 4.511,389 2.5,390 1.564,391 2.185,393 4.319,394 1.456,395 2.945,396 1.722,397 4.296,398 2.442,399 1.486,400 2.125,402 3.964,403 1.415,404 2.698,405 1.54,406 3.909,407 2.18,408 1.223,409 1.772,411 2.964,412 1.172,413 2.658,414 1.29,415 3.63,416 2.124,417 1.168,418 1.72,420 2.741,421 1.107,422 2.534,423 1.199,424 3.479,425 2.033,426 1.088,427 1.544,428 2.519,429 1.023,430 2.5,431 1.069,432 3.247,433 2,434 1,435 1.5,436 2.136,437 1,438 2.139,439 1,440 3.245,441 1.834,442 0.87,443 1.061,445 1.661,446 0.827,447 1.95,448 0.626,449 3.067,450 1.441,451 0.467,452 0.666,454 1.018,455 0.45,456 1.2,457 0.247,458 2.854,459 0.831,460 -0.12,461 -0.151,463 -0.343,464 -0.114,465 14.267,466 0.476,467 0.783,468 0.026,469 44.75,470 1.492,471 25,472 0.833,473 19.75,474 0.658,475 20.273,476 0.676,477 31.333,478 0.653,479 35.972,480 1.199,481 8.82,482 0.294,483 5.655,484 0.189,485 0.105,486 0.058,487 0.273,493 0.614,494 1.362,495 0.755,496 1.218,497 0.638,498 0.899,499 0.719,500 1.073,501 0.849,502 0.926,503 0.562,504 0.881,505 0.95,506 1.042,507 1.011,508 1.018,509 0.865,510 0.948,511 1.302,512 1.165,513 1.227,514 1.186,515 1.365,516 1.028,517 1.444,518 0.88,519 1.013,520 0.789,521 1.584,522 0.873,523 0.964,524 1.059,525 0.953,526 0.977,527 0.846,528 1.024,529 0.932,530 1.035,531 1.03,532 1.036,533 0.808,534 1.031,535 0.987,536 0.882,537 0.977,538 0.905,539 1.115,540 0.996,541 6.5,542 0.222,543 4,544 2.319,545 1.569,546 1.049,547 0.714,548 0.467,549 0.283,550 0.228,551 11910,552 37955,553 2.079,554 37.5,556 10,557 1,558 3,559 1,561 3,564 1.728,565 1.946,566 3.573,567 -0.283,568 1,569 1,573 84.781,574 1.766,575 3.723,576 4.663,577 5.179,578 5.236,579 5.236,580 3.048,581 4.64,582 4.879,583 3.709,584 1613.55,585 8.51,586 22380.2,588 1,590 1,591 268.078,592 1.524,593 4.832,594 0.197,595 0.009,596 0.085,597 0.048,598 0.034,599 0.025,600 0.018,601 0.013,602 0.009,603 0.008,604 0.447,605 0.33,606 1,607 1.042,608 154.418,609 0.038,610 -0.235,611 0.197,612 -0.136,613 -0.132,614 -0.008,615 0.205,616 0.007,617 0.027,618 0.033,619 0.207,620 -0.002,621 -0.031,622 -0.013,624 0.009,625 -0.02,626 0.007,627 -0.144,628 -0.146,629 -0.135,630 -0.139,631 -0.081,632 -0.091,633 -0.221,634 0.119,635 -0.101,636 0.115,637 -0.197,638 0.038,639 -0.129,640 -0.036,641 -0.092,642 -0.058,643 -0.071,644 -0.082,645 -0.094,646 -0.034,647 -0.058,648 -0.069,649 -0.023,650 -0.04,651 0.053,652 0.077,653 -0.018,654 0.05,655 -0.059,656 -0.014,657 4.645,658 5.568,659 0.7,660 29.422,661 1.02,662 1.118,663 1.799,664 3.238,665 0.705,666 3.526,667 3.871,668 4.143,669 4.407,670 4.605,671 4.691,672 4.844,673 4.956,674 5.03,675 5.147,676 7.007,677 0.684,678 422.5,679 3.526,680 5.081,681 5.938,682 6.83,683 7.705,684 8.602,685 9.485,686 10.385,687 11.271,688 12.172,689 8.3,694 1,697 1,699 2,703 1,704 12,705 2,709 5,711 22,721 1,731 48,733 25,734 1,735 33,737 51,738 21,739 18,740 1,741 5,742 1,746 4,747 5,752 1,761 19,762 2,766 3,769 1,771 3,775 1,778 1,781 18,782 7,783 1,784 9,785 1,787 1,790 4,794 0.75,795 4,805 2,811 1,812 3,815 1,840 3,842 1,844 1,848 30,852 1,854 1,855 1,856 1,870 8.3,873 3,875 1,877 15.417,878 8.933,879 6.569,880 2.799,881 4.216,882 1.537,883 1.012,884 5.533,885 12.059,886 3.871,887 4.535,888 5.128,889 5.744,890 6.282,891 6.625,892 7.104,893 7.526,894 7.857,895 8.29,896 1,897 48,898 11.322,900 5.125,901 8.003,902 20.638,904 16.914,905 2.503,906 75.083,909 1,910 200.109,911 153.567,912 51.263,914 80.458,916 5.807,917 147.759,918 280.567,919 51.263,920 8.825,921 4.592,922 90.665,923 163.654,924 50.107,925 14.528,926 153.024,928 200.109,929 199.022,930 80.458,931 5.807,933 164.795,934 115.771,937 43.562,938 105.484,939 55.783,941 200.109,942 131.72,943 153.567,945 5.807,946 200.109,947 26.934,948 122.111,949 16.405,950 114.029,951 200.109,952 131.72,953 153.567,955 0.582,956 0.342,957 0.186,958 0.098,959 23,960 10,961 0.137,962 7,963 1,964 1.095,965 4.099,966 270.182,967 0.095,968 21,969 141.207,973 1,974 20.081,975 8.267,976 4.231,977 0.593,978 130.434,979 19.603,980 8.361,984 2.206,986 16.405,987 485.396,988 47,991 -3.729,993 37.277,997 -0.468,999 48.978,1000 53.657,1001 0.316,1002 0.667,1003 0.835,1004 0.927,1005 0.938,1006 0.938,1007 5.103,1008 1.486,1009 5.953,1010 4.319,1011 4.554,1012 5.223,1013 1.888,1014 6.817,1015 4.458,1016 6.355,1017 1.223,1018 7.55,1019 3.964,1020 4.29,1021 5.263,1023 8.009,1024 4.121,1025 7.709,1026 1.168,1027 9.263,1028 2.964,1029 6.236,1030 7.58,1031 2.817,1032 11.066,1033 6.024,1034 9.108,1035 1.088,1036 11.047,1037 2.741,1038 6.815,1039 8.463,1041 13.09,1042 6.504,1043 10.545,1044 1,1045 12.878,1046 2.519,1047 8.264,1048 10.283,1049 3.808,1050 15.733,1051 7.91,1052 12.009,1053 0.87,1054 14.741,1055 2.136,1056 9.199,1057 11.529,1059 18.056,1060 8.741,1061 13.494,1062 0.467,1063 16.628,1064 1.661,1065 10.473,1066 13.168,1067 4.825,1068 20.588,1069 9.959,1070 3.391,1071 -0.12,1072 18.531,1073 1.018,1074 11.558,1075 14.573,1077 23.021,1078 10.944,1079 3.172,1080 12.507,1081 20.448,1082 -0.343,1083 12.773,1084 16.143,1085 5.851,1086 25.527,1087 12.09,1088 2.822,1089 10.855,1090 22.376,1091 4.704,1092 13.921,1093 17.619,1095 28.004,1096 13.142,1097 2.396,1098 9.112,1099 24.312,1100 4.551,1101 15.119,1102 19.164,1103 6.88,1104 30.507,1105 14.263,1106 2.231,1107 7.26,1108 26.254,1109 3.817,1110 16.294,1111 20.672,1113 33.002,1114 15.346,1115 1.977,1116 6.781,1117 28.203,1118 3.207,1119 17.49,1120 22.208,1121 7.91,1122 35.509,1123 16.457,1124 1.564,1125 5.206,1126 30.156,1127 3.061,1128 18.679,1129 23.73,1131 38.015,1132 17.555,1133 11398,1134 20529,1135 21.959,1136 33.818,1137 50.112,1138 51.354,1139 50.909,1140 49.742,1141 49.706,1142 69.687,1143 3.349,1144 146.087,1145 47.457,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1152 3.349,1153 19.85,1154 5.093,1155 14.402,1156 1.519,1157 1.556,1158 1.543,1159 1.507,1160 1.506,1161 2.112,1162 0.101,1163 4.427,1164 1.438,1165 4.151,1166 4.187,1167 4.736,1168 4.078,1169 7.717,1170 4.037,1171 4.061,1172 4.048,1173 4.11,1174 3.98,1175 7.433,1176 3.953,1177 3.826,1178 3.863,1179 3.784,1180 3.715,1181 6.999,1182 3.728,1183 3.597,1184 3.604,1185 3.667,1186 3.515,1187 5.049,1188 3.448,1189 3.543,1190 3.563,1191 3.453,1192 3.338,1193 4.863,1194 3.345,1195 3.335,1196 3.378,1197 3.213,1198 3.201,1199 4.714,1200 3.19,1201 3.038,1202 3.067,1203 2.959,1204 2.865,1205 4.453,1206 2.876,1207 2.854,1208 2.925,1209 2.736,1210 2.735,1211 4.254,1212 2.715,1213 0.147,1214 0.142,1215 0.221,1216 0.131,1217 0.103,1218 4.855,1219 0.143,1220 4.685,1221 0.051,1222 7.308,1223 0.379,1224 4.31,1225 0.094,1226 3.391,1227 4.704,1228 1.674,1229 12.507,1230 3.093,1231 1.991,1232 1.983,1233 2.045,1234 2.106,1235 1.187,1236 2.103,1237 1.938,1238 1.922,1239 1.994,1240 2.02,1241 1.142,1242 2.046,1243 1.727,1244 1.69,1245 1.822,1246 1.884,1247 0.942,1248 1.873,1249 1.54,1250 1.51,1251 1.796,1252 1.778,1253 0.888,1254 1.778,1255 1.404,1256 1.433,1257 1.552,1258 1.596,1259 0.594,1260 1.603,1261 1.397,1262 1.33,1263 1.229,1264 1.558,1265 0.552,1266 1.591,1267 0.996,1268 0.962,1269 1.181,1270 1.199,1271 0.235,1272 1.173,1273 0.886,1274 0.821,1275 1.103,1276 1.062,1277 0.218,1278 1.107,1279 4.205,1281 5.541,1282 2.398,1283 7.076,1284 4.727,1285 8.697,1286 6.843,1287 10.362,1289 1.736,1295 0.263,1296 2.54,1297 5.067,1305 32.82,1306 84.781,1307 178.694,1308 223.814,1309 248.568,1310 251.323,1311 251.323,1312 60.683,1313 7.843,1314 102.66,1315 111.04,1316 23,1317 12.696,1318 4.7,1319 3.907,1320 47.081,1321 126,1322 131,1323 0.182,1324 204.728,1325 347.45,1326 491.296,1327 29055,1329 21.14,1330 0.705,1331 0.561,1332 21.39,1333 16.835,1334 14.475,1335 0.439,1336 0.322,1337 9.135,1338 13.1,1339 8.821,1340 7.326,1341 15.297,1342 10.636,1343 13.325,1344 0.284,1345 0.172,1346 14.625,1347 8.073,1348 10.999,1349 0.177,1350 0.093,1351 12.104,1352 5.765,1353 9.35,1354 0.115,1355 0.05,1356 10.391,1357 4.03,1358 7.202,1359 0.073,1360 0.027,1361 8.056,1362 2.656,1363 0.287,1364 99.422,1365 0.213,1366 28.33,1367 0.495,1368 160,1369 539.071,1370 214.687,1371 537.099,1372 727.88,1373 496,1374 189,1375 509.645,1376 252.372,1377 550.146,1378 803.76,1379 515,1380 9.097}
{0 CHEMBL1765464,1 1.799,2 12.29,3 2.403,4 5.772,5 113.349,6 9.202,7 0.771,8 4.008,9 4.094,10 3.891,11 3.604,12 5.201,13 3.598,14 4.496,15 4.616,16 4.199,17 3.973,18 5.89,19 3.965,20 4.667,21 4.817,22 4.2,23 4.071,24 5.904,25 4.025,26 4.737,27 4.91,28 4.177,29 4.028,30 6.024,31 3.989,32 4.669,33 4.84,34 4.09,35 3.941,36 5.991,37 3.924,38 4.551,39 4.717,40 4.003,41 3.927,42 5.756,43 3.888,44 4.608,45 4.804,46 3.941,47 3.893,48 5.782,49 3.836,50 4.498,51 4.69,52 3.847,53 3.767,54 5.724,55 3.71,56 0.173,57 0.775,58 8.4,59 4.099,60 16.703,61 3.914,62 0.46,63 1.216,64 13.461,65 6.51,66 51.281,67 6.722,68 0.476,69 1.399,70 19.589,71 8.514,72 36.965,73 8.388,74 0.579,75 1.473,76 25.138,77 9.113,78 53.928,79 9.155,80 0.685,81 1.302,82 21.01,83 7.928,84 78.212,85 8.003,86 0.388,87 1.222,88 16.485,89 7.209,90 31.676,91 7.653,92 0.464,93 1.272,94 21.415,95 7.932,96 41.463,97 8.779,98 0.53,99 1.114,100 18.447,101 7.158,102 48.212,103 7.881,104 10,105 51,106 0.297,107 0.618,108 0.769,109 0.856,110 0.865,111 0.865,112 3.472,113 0.925,114 -4.11,115 -4.06,116 -3.84,119 44.7,120 1,142 8,143 2,144 2,145 3,149 1,151 1,152 1,161 2,166 1,172 8,174 4,175 6,178 2,180 1,183 7,186 2,187 10,190 1,192 3,195 4,198 3,199 9,204 3,207 1,211 4,212 11,217 2,220 2,224 12,227 1,229 1,232 4,236 1,237 8,245 7,249 4,250 4,253 1,258 7,262 1,263 2,266 2,271 6,275 1593,276 20.988,277 20.988,278 20.988,279 20.988,280 20.988,281 17.601,282 8.463,283 12.227,284 21.465,285 17.319,286 17.319,287 17.319,288 17.319,289 17.319,290 12.205,291 5.285,292 5.838,293 18.136,294 3.755,295 1.815,296 0.899,297 0.373,298 0.314,299 0.314,300 4.179,304 1,305 1,306 847,307 3.391,310 150.885,311 284.603,314 125.233,318 1.894,319 35.354,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68,331 381,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.093,341 4.628,342 3.197,343 6.731,344 4.135,345 3.193,346 4.57,348 10.993,349 3.011,350 4.22,351 2.879,352 6.163,353 3.826,354 2.845,355 3.852,357 9.159,358 2.783,359 4.028,360 2.675,361 5.773,362 3.537,363 2.591,364 3.674,366 7.903,367 2.449,368 3.664,369 2.408,370 5.361,371 3.252,372 2.282,373 3.119,375 6.822,376 2.21,377 3.52,378 2.12,379 5.033,380 3.007,381 2.027,382 2.989,384 5.864,385 1.992,386 3.394,387 1.979,388 4.807,389 2.951,390 1.967,391 2.734,393 5.206,394 1.925,395 2.954,396 1.54,397 4.458,398 2.442,399 1.487,400 2.159,402 4.223,403 1.418,404 2.86,405 1.452,406 4.282,407 2.355,408 1.405,409 2.016,411 3.853,412 1.331,413 2.695,414 1.282,415 3.88,416 2.176,417 1.195,418 1.767,420 2.853,421 1.17,422 2.643,423 1.17,424 3.63,425 2.09,426 1.149,427 1.706,428 2.735,429 1.077,430 2.51,431 1.035,432 3.479,433 2,434 1.021,435 1.515,436 2.51,437 1,438 2.5,439 1,440 3.274,441 1.974,442 1,443 1.5,445 2.136,446 0.97,447 2.205,448 0.737,449 3.247,450 1.685,451 0.723,452 1.064,454 1.722,455 0.693,456 1.978,457 0.493,458 3.214,459 1.441,460 0.49,461 0.726,463 1.275,464 0.465,465 14.733,466 0.475,467 0.851,468 0.027,469 48.75,470 1.573,471 27.5,472 0.887,473 21.25,474 0.685,475 20.197,476 0.652,477 31.467,478 0.67,479 37.696,480 1.216,481 9.563,482 0.308,483 5.43,484 0.175,485 0.079,486 0.057,487 0.299,493 0.578,494 1.321,495 0.728,496 1.173,497 0.669,498 0.848,499 0.654,500 1.096,501 0.8,502 0.942,503 0.566,504 0.862,505 1.07,506 1.035,507 1.12,508 1.056,509 0.978,510 1.017,511 1.142,512 1.114,513 1.238,514 1.175,515 1.253,516 1.044,517 1.338,518 0.9,519 0.954,520 0.802,521 1.552,522 0.86,523 0.991,524 1.066,525 0.955,526 0.982,527 0.873,528 1.019,529 0.982,530 1.023,531 1.058,532 1.031,533 0.849,534 1.03,535 0.988,536 0.851,537 0.987,538 0.908,539 1.131,540 0.991,541 7,542 0.23,543 4,544 2.292,545 1.534,546 1.049,547 0.709,548 0.439,549 0.297,550 0.222,551 13863,552 43466,553 2.151,554 34,556 8,557 1,558 3,559 1,560 3,564 1.736,565 2.033,566 3.592,567 -0.265,568 1,569 1,573 84.562,574 1.799,575 3.74,576 4.655,577 5.182,578 5.241,579 5.241,580 3.05,581 4.632,582 4.927,583 3.733,584 1736.01,585 8.603,586 24587.4,588 1,590 1,591 261.066,592 1.459,593 4.889,594 0.2,595 0.009,596 0.078,597 0.047,598 0.033,599 0.023,600 0.017,601 0.012,602 0.009,603 0.008,604 0.434,605 0.33,606 0.88,607 0.486,608 161.151,609 0.117,610 -0.212,611 0.2,612 -0.129,613 -0.148,614 -0.008,615 0.227,616 -0.02,617 0.041,618 -0.009,619 0.254,620 -0.017,621 -0.145,622 -0.004,623 -0.124,624 -0.038,625 -0.075,626 -0.088,627 -0.122,628 -0.089,629 -0.139,630 -0.13,631 -0.067,632 -0.083,633 -0.131,634 0.072,635 -0.037,636 0.119,637 -0.138,638 0.074,639 -0.144,640 -0.067,641 -0.096,642 -0.058,643 -0.078,644 -0.079,645 -0.12,646 -0.041,647 -0.066,648 -0.052,649 -0.036,650 -0.022,651 0.014,652 0.114,653 -0.017,654 0.052,655 -0.071,656 0.004,657 4.627,658 5.619,659 0.839,660 30.4,661 1.023,662 1.119,663 2.884,664 8.315,665 0.72,666 3.584,667 3.951,668 4.234,669 4.522,670 4.718,671 4.828,672 5.011,673 5.147,674 5.247,675 5.366,676 7.131,677 0.704,678 432.5,679 3.584,680 5.153,681 6.019,682 6.919,683 7.8,684 8.703,685 9.591,686 10.496,687 11.388,688 12.293,689 12.8,694 1,697 1,699 4,703 1,704 12,705 4,707 1,709 7,711 27,731 47,733 29,734 1,735 35,737 51,738 21,739 20,740 1,741 5,746 5,747 6,752 1,761 20,762 1,766 2,769 1,771 2,778 1,781 16,782 8,783 1,784 10,785 1,787 1,790 6,794 0.8,795 3,805 2,811 2,812 3,815 1,840 4,842 1,844 1,848 31,852 1,855 1,870 6.4,873 2,875 1,877 15.25,878 8.917,879 6.569,880 2.607,881 4.9,882 1.596,883 1.047,884 4.776,885 13.124,886 3.942,887 4.64,888 5.25,889 5.889,890 6.407,891 6.797,892 7.324,893 7.787,894 8.17,895 8.616,896 1,897 49,898 11.631,900 5.303,901 7.895,902 21.373,904 17.806,905 2.395,906 74.25,909 1,910 176.567,911 149.131,912 87.645,914 54.047,916 5.807,917 143.323,918 230.614,919 87.645,920 8.825,922 90.665,923 172.72,924 51.169,925 14.528,926 129.482,928 176.567,929 230.968,930 54.047,931 5.807,933 178.894,934 54.047,937 43.989,938 98.293,939 92.166,941 176.567,942 141.692,943 149.131,945 5.807,946 176.567,947 22.499,948 122.111,949 16.405,950 124,951 176.567,952 141.692,953 149.131,955 0.593,956 0.344,957 0.188,958 0.099,959 27,960 11,961 0.098,962 5,963 1,964 1.077,965 4.254,966 292.019,967 0.077,968 26,969 144.825,973 1,974 19.432,975 7.619,976 3.813,977 0.718,978 140.405,979 20.32,980 16.791,982 5.073,984 3.677,986 16.405,987 467.389,988 50.5,991 -3.711,993 25.238,999 48.087,1000 52.614,1001 0.324,1002 0.673,1003 0.838,1004 0.933,1005 0.943,1006 0.943,1007 5.18,1008 1.487,1009 6.038,1010 5.206,1011 4.635,1012 5.328,1014 6.903,1015 4.541,1016 6.441,1017 1.405,1018 7.633,1019 4.223,1020 4.369,1021 5.338,1023 8.067,1024 4.191,1025 7.796,1026 1.195,1027 9.34,1028 3.853,1029 6.319,1030 7.689,1032 11.129,1033 6.106,1034 9.194,1035 1.149,1036 11.116,1037 2.853,1038 6.889,1039 8.544,1041 13.136,1042 6.569,1043 10.628,1044 1.021,1045 12.939,1046 2.735,1047 8.337,1048 10.376,1050 15.78,1051 7.979,1052 12.089,1053 1,1054 14.795,1055 2.51,1056 9.263,1057 11.603,1059 18.095,1060 8.795,1061 13.569,1062 0.723,1063 16.676,1064 2.136,1065 10.535,1066 13.242,1068 20.626,1069 10.014,1070 3.391,1071 0.49,1072 18.574,1073 1.722,1074 11.614,1075 14.636,1077 23.055,1078 10.989,1079 3.193,1080 12.507,1081 20.486,1082 1.275,1083 12.826,1084 16.203,1086 25.559,1087 12.135,1088 2.845,1089 10.993,1090 22.41,1091 4.704,1092 13.97,1093 17.672,1095 28.033,1096 13.181,1097 2.591,1098 9.159,1099 24.343,1100 4.57,1101 15.166,1102 19.214,1104 30.535,1105 14.299,1106 2.282,1107 7.903,1108 26.283,1109 3.852,1110 16.339,1111 20.717,1113 33.029,1114 15.379,1115 2.027,1116 6.822,1117 28.229,1118 3.674,1119 17.532,1120 22.251,1122 35.534,1123 16.489,1124 1.967,1125 5.864,1126 30.18,1127 3.119,1128 18.719,1129 23.77,1131 38.038,1132 17.584,1133 12807,1134 22886,1135 23.75,1136 33.852,1137 54.02,1138 54.079,1139 54.156,1140 53.563,1141 53.53,1142 76.189,1144 159.52,1145 51.176,1146 5.682,1147 6.685,1148 7.11,1149 5.368,1150 5.391,1151 7.704,1153 19.85,1154 5.093,1155 12.692,1156 1.543,1157 1.545,1158 1.547,1159 1.53,1160 1.529,1161 2.177,1163 4.558,1164 1.462,1165 4.16,1166 4.199,1167 4.736,1168 4.079,1169 7.717,1170 4.043,1171 4.063,1172 4.05,1173 4.123,1174 3.985,1175 6.999,1176 3.955,1177 3.848,1178 3.882,1179 3.814,1180 3.725,1181 5.309,1182 3.74,1183 3.746,1184 3.785,1185 3.708,1186 3.533,1187 5.022,1188 3.549,1189 3.583,1190 3.569,1191 3.664,1192 3.473,1193 4.861,1194 3.428,1195 3.296,1196 3.341,1197 3.227,1198 3.174,1199 4.714,1200 3.176,1201 3,1202 3.086,1203 2.869,1204 2.85,1205 4.263,1206 2.846,1207 2.884,1208 2.959,1209 2.704,1210 2.735,1211 3.945,1212 2.715,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.855,1219 0.134,1220 4.685,1222 7.308,1223 0.357,1224 4.31,1225 0.088,1226 3.391,1227 4.704,1229 12.507,1230 3.093,1231 1.991,1232 1.983,1233 2.044,1234 2.104,1235 1.188,1236 2.103,1237 1.938,1238 1.922,1239 1.994,1240 2.02,1241 1.143,1242 2.045,1243 1.727,1244 1.688,1245 1.812,1246 1.879,1247 0.895,1248 1.87,1249 1.518,1250 1.475,1251 1.701,1252 1.709,1253 0.742,1254 1.702,1255 1.404,1256 1.432,1257 1.562,1258 1.655,1259 0.619,1260 1.624,1261 1.396,1262 1.347,1263 1.23,1264 1.558,1265 0.555,1266 1.597,1267 1.01,1268 0.97,1269 1.181,1270 1.241,1271 0.238,1272 1.195,1273 0.886,1274 0.821,1275 1.103,1276 1.085,1277 0.218,1278 1.107,1279 4.263,1281 5.617,1282 3.045,1283 7.157,1284 5.352,1285 8.778,1286 7.402,1287 10.443,1289 1.721,1296 2.575,1305 33.094,1306 84.562,1307 175.781,1308 218.801,1309 243.556,1310 246.311,1311 246.311,1312 50.495,1313 8.223,1314 115.28,1315 123.66,1316 28,1317 12.814,1318 4.907,1319 4.044,1320 43.693,1321 133,1322 128,1323 0.159,1324 203.999,1325 334.76,1326 489.518,1327 47146,1329 21.424,1330 0.691,1331 0.552,1332 21.674,1333 17.114,1334 14.993,1335 0.428,1336 0.308,1337 9.282,1338 13.571,1339 8.959,1340 7.435,1341 15.814,1342 10.789,1343 14.237,1344 0.279,1345 0.166,1346 15.537,1347 8.49,1348 11.865,1349 0.174,1350 0.089,1351 12.97,1352 6.037,1353 10.2,1354 0.112,1355 0.047,1356 11.241,1357 4.243,1358 7.95,1359 0.072,1360 0.025,1361 8.804,1362 2.802,1363 0.251,1364 102.813,1365 0.205,1366 29.119,1367 0.432,1368 172,1369 560.625,1370 228.303,1371 563.851,1372 778.68,1373 522,1374 205,1375 571.394,1376 270.902,1377 609.804,1378 887.3,1379 571,1380 8.81}
{0 CHEMBL1765465,1 1.746,2 11.7,3 3.143,4 9.876,5 114.447,6 9.054,7 0.794,8 3.98,9 4.076,10 3.856,11 3.601,12 5.149,13 3.584,14 4.463,15 4.582,16 4.151,17 3.981,18 5.838,19 3.959,20 4.659,21 4.821,22 4.159,23 4.079,24 5.858,25 4.014,26 4.708,27 4.882,28 4.144,29 4.029,30 5.976,31 3.979,32 4.686,33 4.875,34 4.044,35 3.96,36 5.973,37 3.921,38 4.544,39 4.728,40 3.932,41 3.919,42 5.707,43 3.855,44 4.533,45 4.732,46 3.879,47 3.856,48 5.697,49 3.787,50 4.451,51 4.649,52 3.785,53 3.742,54 5.66,55 3.67,56 0.135,57 0.769,58 8.676,59 3.954,60 15.525,61 3.883,62 0.364,63 1.195,64 12.822,65 6.182,66 46.846,67 6.417,68 0.336,69 1.39,70 20.196,71 8.737,72 33.916,73 9.284,74 0.438,75 1.436,76 25.001,77 9.234,78 49.761,79 9.497,80 0.605,81 1.36,82 22.189,83 8.164,84 74.636,85 8.597,86 0.303,87 1.211,88 17.694,89 7.532,90 33.224,91 8.581,92 0.336,93 1.2,94 20.202,95 7.622,96 35.989,97 8.7,98 0.426,99 1.08,100 17.91,101 6.968,102 43.037,103 7.921,104 5,105 49,106 0.289,107 0.567,108 0.757,109 0.87,110 0.879,111 0.879,112 3.441,113 0.934,114 -3.23,115 -3.22,116 -3.09,119 45.7,142 9,143 2,144 2,145 3,146 1,151 2,152 1,161 1,168 1,172 8,174 2,175 5,178 2,180 2,183 7,186 1,187 10,190 1,192 3,195 4,198 1,199 10,202 1,204 3,207 1,211 3,212 8,215 1,217 2,220 4,224 7,227 1,229 3,232 6,236 1,237 5,242 2,245 6,249 3,250 4,253 1,255 1,258 5,263 2,266 2,268 1,271 5,275 1450,276 20.54,277 20.54,278 20.54,279 20.54,280 20.54,281 17.178,282 6.038,283 12.091,284 20.991,285 16.836,286 16.836,287 16.836,288 16.836,289 16.836,290 11.794,291 3.814,292 5.76,293 17.595,294 3.777,295 2.1,296 0.957,297 0.277,298 0.217,299 0.217,300 4.15,304 1,305 1,306 786,307 3.317,310 144.971,311 273.74,314 120.277,318 1.807,319 30.883,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65,331 351,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.094,341 4.623,342 3.187,343 6.726,344 4.132,345 3.186,346 4.567,348 10.975,349 3.017,350 4.206,351 2.862,352 6.161,353 3.818,354 2.833,355 3.833,357 9.147,358 2.783,359 3.916,360 2.521,361 5.723,362 3.438,363 2.48,364 3.517,366 7.68,367 2.372,368 3.647,369 2.347,370 5.36,371 3.225,372 2.257,373 3.106,375 6.809,376 2.179,377 3.512,378 1.982,379 4.807,380 2.974,381 1.979,382 2.974,384 5.206,385 1.967,386 3.193,387 1.714,388 4.646,389 2.675,390 1.712,391 2.521,393 4.68,394 1.647,395 2.952,396 1.54,397 4.326,398 2.442,399 1.486,400 2.153,402 4.075,403 1.417,404 2.727,405 1.298,406 4.007,407 2.198,408 1.254,409 1.831,411 3.181,412 1.183,413 2.687,414 1.231,415 3.63,416 2.161,417 1.175,418 1.753,420 2.745,421 1.153,422 2.595,423 1.111,424 3.48,425 2.054,426 1.108,427 1.64,428 2.534,429 1.045,430 2.5,431 1,432 3.341,433 2,434 1,435 1.5,436 2.136,437 1,438 2.382,439 0.896,440 3.247,441 1.842,442 0.896,443 1.325,445 2.12,446 0.846,447 2.118,448 0.618,449 3.136,450 1.604,451 0.618,452 0.927,454 1.372,455 0.609,456 1.957,457 0.465,458 3.066,459 1.417,460 0.465,461 0.692,463 1.189,464 0.441,465 14.4,466 0.48,467 0.745,468 0.025,469 47.5,470 1.583,471 27.5,472 0.917,473 20,474 0.667,475 18.663,476 0.622,477 30,478 0.652,479 36.111,480 1.204,481 9.345,482 0.312,483 5.254,484 0.175,485 0.046,486 0.058,487 0.271,493 0.582,494 1.217,495 0.749,496 1.11,497 0.666,498 0.808,499 0.726,500 1.133,501 0.88,502 0.961,503 0.6,504 0.914,505 0.983,506 1.059,507 1.087,508 1.099,509 0.919,510 1.048,511 1.256,512 1.115,513 1.22,514 1.184,515 1.251,516 1.03,517 1.418,518 0.842,519 0.981,520 0.782,521 1.525,522 0.876,523 0.924,524 1.025,525 0.938,526 0.984,527 0.853,528 1.031,529 0.953,530 1.039,531 1.035,532 1.05,533 0.836,534 1.022,535 0.995,536 0.923,537 0.984,538 0.935,539 1.145,540 1.008,541 6,542 0.193,543 3.778,544 1.972,545 1.409,546 0.937,547 0.598,548 0.398,549 0.227,550 0.198,551 12790,552 38225,553 2.177,554 34.8,556 9,557 2,558 3,559 2,564 1.728,565 2.081,566 3.531,567 0.276,568 1,569 1,573 80.335,574 1.746,575 3.424,576 4.566,577 5.246,578 5.306,579 5.306,580 2.949,581 4.507,582 4.881,583 3.684,584 1602.36,585 8.509,586 22123.8,588 1,590 1,591 254.084,592 1.35,593 4.852,594 0.176,595 0.008,596 0.077,597 0.042,598 0.031,599 0.022,600 0.015,601 0.011,602 0.007,603 0.007,604 0.396,605 0.33,606 0.88,607 0.424,608 154.114,609 0.095,610 -0.106,611 0.197,612 -0.088,613 -0.161,614 0.024,615 0.169,616 -0.056,617 -0.054,618 -0.046,619 0.215,620 -0.089,621 -0.085,622 -0.056,623 -0.081,624 -0.077,625 -0.032,626 -0.096,627 -0.136,628 -0.116,629 -0.113,630 -0.128,631 -0.047,632 -0.064,633 -0.146,634 0.137,635 -0.058,636 0.134,637 -0.131,638 0.064,639 -0.087,640 -0.059,641 -0.051,642 -0.047,643 -0.059,644 -0.058,645 -0.077,646 -0.068,647 -0.038,648 -0.06,649 -0.01,650 -0.016,651 0.047,652 0.036,653 -0.012,654 0.029,655 -0.065,656 -0.014,657 4.608,658 5.604,659 0.867,660 28.356,661 1.017,662 1.117,663 1.999,664 3.994,665 0.726,666 3.555,667 3.912,668 4.205,669 4.489,670 4.673,671 4.787,672 4.963,673 5.088,674 5.182,675 5.303,676 6.926,677 0.704,678 416.5,679 3.555,680 5.118,681 5.984,682 6.88,683 7.762,684 8.662,685 9.55,686 10.452,687 11.343,688 12.246,689 13,694 1,697 2,699 3,703 1,704 14,705 3,706 1,709 6,711 27,731 46,733 29,734 1,735 34,737 50,738 21,739 21,740 1,741 5,746 5,747 6,761 21,766 2,769 1,771 2,778 1,781 16,782 6,783 2,784 9,785 1,787 1,790 6,794 0.8,795 2,803 1,805 2,811 2,812 3,815 1,840 4,842 1,848 30,852 1,855 1,870 4.3,873 2,877 14.417,878 8.217,879 6.403,880 2.51,881 4.853,882 1.598,883 1.071,884 4.584,885 12.964,886 3.922,887 4.61,888 5.226,889 5.864,890 6.373,891 6.768,892 7.289,893 7.74,894 8.115,895 8.562,896 0.875,897 47,898 11.266,900 5.148,901 7.853,902 20.826,904 17.501,905 2.353,906 70.583,909 1,910 164.795,911 154.238,912 84.589,914 44.313,916 5.807,917 148.431,918 209.108,919 84.589,922 109.189,923 147.981,924 58.527,925 26.299,926 105.94,928 164.795,929 233.019,930 44.313,931 5.807,933 164.795,934 44.313,937 49.564,938 116.816,939 72.447,941 164.795,942 128.902,943 154.238,945 5.807,946 164.795,947 17.907,948 131.81,949 33.068,950 94.547,951 164.795,952 128.902,953 154.238,955 0.588,956 0.345,957 0.19,958 0.096,959 26,960 10,961 0.1,962 5,963 1,964 1.077,965 4.2,966 279.231,967 0.077,968 26,969 141.207,973 1,974 18.554,975 7.412,976 3.622,977 0.783,978 110.952,979 24.271,980 12.84,981 2.805,984 3.843,986 33.068,987 447.935,988 49.5,991 -3.691,993 25.209,999 46.76,1000 51.405,1001 0.316,1002 0.62,1003 0.827,1004 0.95,1005 0.961,1006 0.961,1007 5.152,1008 1.486,1009 5.994,1010 4.68,1011 4.595,1012 5.298,1014 6.858,1015 4.506,1016 6.405,1017 1.254,1018 7.586,1019 4.075,1020 4.29,1021 5.27,1023 8.032,1024 4.115,1025 7.756,1026 1.175,1027 9.294,1028 3.181,1029 6.275,1030 7.656,1032 11.099,1033 6.071,1034 9.153,1035 1.108,1036 11.075,1037 2.745,1038 6.836,1039 8.501,1041 13.12,1042 6.525,1043 10.587,1044 1,1045 12.903,1046 2.534,1047 8.297,1048 10.343,1050 15.764,1051 7.951,1052 12.049,1053 0.896,1054 14.765,1055 2.136,1056 9.224,1057 11.57,1059 18.084,1060 8.769,1061 13.531,1062 0.618,1063 16.651,1064 2.12,1065 10.501,1066 13.214,1068 20.616,1069 9.996,1070 3.391,1071 0.465,1072 18.553,1073 1.372,1074 11.583,1075 14.61,1077 23.048,1078 10.974,1079 3.186,1080 12.507,1081 20.469,1082 1.189,1083 12.798,1084 16.18,1086 25.553,1087 12.124,1088 2.833,1089 10.975,1090 22.396,1091 4.704,1092 13.945,1093 17.651,1095 28.028,1096 13.174,1097 2.48,1098 9.147,1099 24.331,1100 4.567,1101 15.142,1102 19.195,1104 30.53,1105 14.296,1106 2.257,1107 7.68,1108 26.273,1109 3.833,1110 16.317,1111 20.7,1113 33.024,1114 15.377,1115 1.979,1116 6.809,1117 28.221,1118 3.517,1119 17.512,1120 22.236,1122 35.53,1123 16.49,1124 1.712,1125 5.206,1126 30.173,1127 3.106,1128 18.701,1129 23.757,1131 38.034,1132 17.587,1133 11743,1134 20484,1135 23.345,1136 33.398,1137 52.064,1138 52.215,1139 51.693,1140 51.728,1141 51.677,1142 74.087,1144 152.713,1145 49.507,1146 5.682,1147 6.685,1148 7.11,1149 5.368,1150 5.391,1151 7.704,1153 19.85,1154 5.094,1155 9.844,1156 1.531,1157 1.536,1158 1.52,1159 1.521,1160 1.52,1161 2.179,1163 4.492,1164 1.456,1165 4.165,1166 4.206,1167 4.736,1168 4.08,1169 7.717,1170 4.05,1171 4.064,1172 4.051,1173 4.125,1174 3.994,1175 6.999,1176 3.957,1177 3.864,1178 3.912,1179 3.82,1180 3.747,1181 5.124,1182 3.759,1183 3.767,1184 3.825,1185 3.711,1186 3.599,1187 4.937,1188 3.614,1189 3.583,1190 3.569,1191 3.664,1192 3.499,1193 4.85,1194 3.431,1195 3.282,1196 3.328,1197 3.217,1198 3.155,1199 4.714,1200 3.16,1201 2.935,1202 2.994,1203 2.839,1204 2.818,1205 4.258,1206 2.813,1207 2.854,1208 2.925,1209 2.695,1210 2.735,1211 3.945,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.855,1219 0.138,1220 4.685,1222 7.308,1223 0.368,1224 4.31,1225 0.091,1226 3.391,1227 4.704,1229 12.507,1230 3.094,1231 1.992,1232 1.983,1233 2.046,1234 2.105,1235 1.19,1236 2.103,1237 1.939,1238 1.923,1239 1.994,1240 2.02,1241 1.145,1242 2.046,1243 1.732,1244 1.693,1245 1.816,1246 1.88,1247 0.907,1248 1.871,1249 1.564,1250 1.532,1251 1.679,1252 1.692,1253 0.751,1254 1.687,1255 1.404,1256 1.433,1257 1.526,1258 1.683,1259 0.559,1260 1.646,1261 1.362,1262 1.281,1263 1.243,1264 1.558,1265 0.486,1266 1.598,1267 1.056,1268 0.997,1269 1.181,1270 1.286,1271 0.24,1272 1.271,1273 0.886,1274 0.821,1275 1.172,1276 1.092,1277 0.218,1278 1.107,1279 4.234,1281 5.58,1282 3.045,1283 7.117,1284 5.283,1285 8.739,1286 7.298,1287 10.405,1296 2.587,1305 32.379,1306 80.335,1307 157.497,1308 210.045,1309 241.329,1310 244.084,1311 244.084,1312 47.045,1313 8.111,1314 105.04,1315 113.42,1316 28,1317 12.768,1318 4.907,1319 4.044,1320 41.65,1321 125,1322 120,1323 0.161,1324 200.003,1325 325.97,1326 479.767,1327 41042,1329 20.554,1330 0.685,1331 0.547,1332 20.804,1333 16.413,1334 14.599,1335 0.429,1336 0.311,1337 9.105,1338 13.295,1339 8.826,1340 7.317,1341 15.42,1342 10.59,1343 13.603,1344 0.278,1345 0.17,1346 14.904,1347 8.312,1348 11.53,1349 0.175,1350 0.092,1351 12.634,1352 6.043,1353 9.945,1354 0.113,1355 0.048,1356 10.986,1357 4.266,1358 7.568,1359 0.071,1360 0.026,1361 8.421,1362 2.771,1363 0.254,1364 99.633,1365 0.207,1366 28.324,1367 0.438,1368 166,1369 503.578,1370 217.928,1371 516.117,1372 714.37,1373 478,1374 198,1375 516.724,1376 259.72,1377 560.804,1378 816.51,1379 526,1380 6.672}
{0 CHEMBL1765601,1 1.634,2 11.75,3 6.074,4 36.891,5 127.417,6 9.519,7 0.683,8 4.084,9 4.167,10 3.852,11 3.733,12 5.366,13 3.751,14 4.603,15 4.708,16 4.327,17 4.137,18 6.278,19 4.157,20 4.84,21 4.981,22 4.402,23 4.293,24 6.172,25 4.299,26 4.945,27 5.109,28 4.42,29 4.284,30 6.536,31 4.285,32 4.891,33 5.059,34 4.328,35 4.282,36 6.211,37 4.26,38 4.868,39 5.025,40 4.313,41 4.257,42 6.201,43 4.244,44 4.885,45 5.045,46 4.394,47 4.198,48 6.548,49 4.209,50 4.816,51 4.99,52 4.264,53 4.065,54 6.297,55 4.087,56 0.18,57 0.976,58 4.762,59 4.22,60 32.915,61 4.037,62 0.857,63 2.01,64 10.264,65 7.151,66 141.284,67 6.589,68 0.57,69 2.009,70 15.712,71 9.489,72 82.776,73 9.553,74 1.305,75 2.601,76 21.579,77 10.823,78 209.339,79 10.255,80 0.854,81 2.021,82 20.734,83 10.523,84 102.358,85 11.392,86 0.724,87 1.956,88 19.288,89 10.596,90 123.819,91 11.075,92 1.116,93 2.139,94 20.319,95 10.524,96 199.717,97 10.906,98 0.759,99 2.166,100 19.965,101 10.325,102 111.116,103 10.495,104 27,105 62,106 0.265,107 0.544,108 0.732,109 0.872,110 0.904,111 0.904,112 3.616,113 0.802,114 -6.04,115 -5.89,116 -5.48,119 54.9,132 1,135 2,142 11,143 6,144 3,145 2,146 2,158 1,172 15,174 1,175 12,183 17,187 12,195 16,198 1,199 11,207 18,212 8,220 22,223 1,224 6,232 20,236 2,237 7,245 18,250 4,258 11,262 1,263 8,271 8,275 2402,276 24.143,277 24.143,278 24.143,279 24.143,280 24.143,281 20.755,282 16.03,283 13.694,284 24.621,285 20.247,286 20.247,287 20.247,288 20.247,289 20.247,290 14.976,291 22.452,292 6.493,293 21.132,294 4.039,295 2.317,296 1.153,297 0.289,298 0.093,299 0.093,300 4.333,305 1,306 941,307 3.536,311 474.534,315 379.712,318 1.764,319 62.371,322 0.75,323 0.5,324 1,325 0.4,327 1,328 1,329 0.66,330 80.5,331 423,332 4.701,333 4.475,334 7.246,335 4.329,336 3.402,337 4.582,338 3.825,339 12.358,340 3.239,341 4.542,342 3.749,343 7.076,344 4.222,345 3.306,346 4.347,347 1.2,348 12.094,349 2.996,350 4.434,351 3.139,352 6.346,353 3.982,354 2.997,355 4.065,356 0.293,357 9.709,358 2.934,359 4.168,360 2.984,361 6.222,362 3.768,363 2.796,364 3.655,366 9.252,367 2.71,368 3.928,369 2.953,370 5.965,371 3.539,372 2.559,373 3.382,375 8.426,376 2.501,377 3.721,378 2.664,379 5.629,380 3.302,381 2.359,382 3.076,384 7.348,385 2.234,386 3.524,387 2.504,388 5.426,389 3.135,390 2.18,391 2.775,393 6.728,394 2.052,395 3.353,396 2.265,397 4.991,398 2.906,399 1.915,400 2.608,402 5.485,403 1.838,404 3.191,405 1.807,406 4.814,407 2.702,408 1.739,409 2.477,411 5.09,412 1.664,413 3.118,414 1.618,415 4.493,416 2.587,417 1.618,418 2.427,420 4.5,421 1.57,422 3.047,423 1.564,424 4.324,425 2.55,426 1.557,427 2.301,428 4.072,429 1.541,430 2.807,431 1.443,432 4.085,433 2.303,434 1.31,435 1.954,436 3.171,437 1.299,438 2.583,439 1.313,440 4.018,441 2.115,442 1.155,443 1.616,445 2.993,446 1.092,447 2.568,448 1.21,449 3.609,450 2.053,451 1.076,452 1.486,454 2.922,455 1.048,456 2.362,457 0.965,458 3.414,459 1.795,460 0.83,461 1.237,463 1.963,464 0.798,465 16.676,466 0.463,467 1.138,468 0.032,469 53,470 1.472,471 29.5,472 0.819,473 23.5,474 0.653,475 27.48,476 0.763,477 36.124,478 0.708,479 47.974,480 1.333,481 10.709,482 0.297,483 6.583,484 0.183,485 0.089,486 0.03,487 0.384,490 3,491 1,493 0.519,494 0.825,495 0.533,496 0.852,497 0.549,498 0.764,499 0.445,500 0.748,501 0.637,502 0.878,503 0.42,504 0.867,505 0.691,506 0.906,507 0.805,508 0.998,509 0.63,510 0.973,511 0.804,512 0.786,513 1.011,514 0.926,515 0.754,516 1.006,517 0.62,518 0.617,519 0.894,520 0.89,521 0.701,522 0.983,523 0.765,524 0.834,525 0.927,526 1.016,527 0.822,528 1.049,529 0.703,530 0.971,531 0.826,532 1.022,533 0.679,534 1.007,535 1.123,536 1.303,537 0.978,538 1.214,539 1.085,540 1.105,541 8,542 0.309,543 5.111,544 2.813,545 2.689,546 1.653,547 1.177,548 0.903,549 0.628,550 0.419,551 18707,552 64534,553 2.144,554 29.4,556 13,558 2,564 1.779,565 1.991,566 3.501,567 -0.772,573 83.33,574 1.634,575 3.355,576 4.519,577 5.383,578 5.579,579 5.579,580 2.941,581 4.538,582 5.141,583 3.68,584 2318.11,585 9.068,586 34883.5,591 289.294,592 1.581,593 5.092,594 0.195,595 0.009,596 0.082,597 0.041,598 0.041,599 0.027,600 0.019,601 0.015,602 0.012,603 0.01,604 0.451,605 0.5,606 0.63,607 0.683,608 192.42,609 -0.015,610 -0.046,611 0.027,612 -0.008,613 -0.073,614 0.016,615 0.305,616 0.176,617 0.045,618 -0.001,619 0.302,620 -0.072,621 -0.051,622 -0.124,623 -0.01,624 -0.101,625 -0.015,626 -0.059,627 0.106,628 0.157,629 -0.08,630 0.021,631 0.138,632 -0.06,633 0.06,634 0.126,635 0.019,636 0.053,637 -0.021,638 0.026,639 -0.041,640 -0.072,641 -0.022,642 -0.063,643 -0.07,644 -0.048,645 0.204,646 -0.076,647 0.14,648 -0.056,649 0.242,650 -0.023,651 -0.097,652 -0.287,653 0.058,654 -0.209,655 -0.061,656 -0.086,657 6.159,658 5.982,659 0.833,660 35.287,661 1.034,662 1.125,663 4.812,664 23.157,665 0.732,666 3.738,667 4.143,668 4.466,669 4.796,670 5.124,671 5.278,672 5.513,673 5.714,674 5.916,675 6.035,676 6.985,677 0.736,678 485.46,679 3.738,680 5.333,681 6.221,682 7.143,683 8.048,684 8.973,685 9.886,686 10.812,687 11.729,688 12.656,689 5.9,696 1,699 2,703 4,704 13,705 2,709 7,711 28,730 1,731 51,733 30,734 3,735 41,737 56,738 28,739 24,740 8,741 10,742 3,746 6,747 10,752 1,757 1,761 27,762 1,766 2,771 1,773 2,775 1,779 4,781 15,782 8,784 8,790 3,794 0.5,795 1,805 2,812 6,816 3,827 1,831 2,840 3,846 4,848 36,859 1,860 1,869 4,870 2,873 1,877 18.083,878 9.588,879 7.5,880 3.005,881 5.934,882 1.64,883 1.083,884 4.964,885 15.208,886 4.06,887 4.758,888 5.436,889 6.1,890 6.78,891 7.211,892 7.759,893 8.295,894 8.847,895 9.254,896 0.875,897 68,898 14.2,900 7.19,901 8.229,902 24.45,904 20.926,905 2.729,906 98.25,910 176.567,911 190.561,912 36.695,914 25.145,915 59.84,917 190.561,918 201.711,919 96.536,921 3.124,922 123.191,923 86.963,924 99.786,925 14.96,926 153.024,927 7.76,928 176.567,929 227.257,930 84.985,933 191.527,934 70.025,937 33.267,938 141.466,939 52.524,941 236.407,942 61.84,943 190.561,946 184.326,947 41.516,948 144.41,950 118.556,951 176.567,952 121.681,953 190.561,955 0.604,956 0.356,957 0.197,958 0.113,959 34,960 15,961 0.036,962 2,963 3,964 1.2,965 4.424,966 385.899,967 0.2,968 30,969 181.362,974 22.098,975 8.086,976 3.766,977 2.917,978 121.681,979 20.999,980 8.966,984 -0.38,987 488.809,988 57,993 12.982,995 2.822,997 -0.549,999 52.752,1000 57.385,1001 0.288,1002 0.592,1003 0.797,1004 0.949,1005 0.984,1006 0.984,1007 5.333,1008 1.915,1009 6.26,1010 6.728,1011 4.828,1012 5.447,1013 3.166,1014 7.163,1015 4.748,1016 6.595,1017 1.739,1018 7.88,1019 5.485,1020 4.635,1021 5.387,1022 3.911,1023 8.34,1024 4.437,1025 7.944,1026 1.618,1027 9.607,1028 5.09,1029 6.547,1030 7.762,1031 5.436,1032 11.435,1033 6.373,1034 9.328,1035 1.557,1036 11.397,1037 4.5,1038 7.14,1039 8.49,1040 6.691,1041 13.41,1042 6.844,1043 10.741,1044 1.31,1045 13.228,1046 4.072,1047 8.579,1048 10.362,1049 8.059,1050 16.083,1051 8.286,1052 12.177,1053 1.155,1054 15.086,1055 3.171,1056 9.513,1057 11.473,1058 9.389,1059 18.372,1060 9.114,1061 13.629,1062 1.076,1063 16.965,1064 2.993,1065 10.785,1066 13.129,1067 10.734,1068 20.916,1069 10.362,1070 3.402,1071 0.83,1072 18.859,1073 2.922,1074 11.868,1075 14.433,1076 12.074,1077 23.33,1078 11.355,1079 3.306,1080 12.358,1081 20.766,1082 1.963,1083 13.083,1084 15.993,1085 13.417,1086 25.838,1087 12.528,1088 2.997,1089 12.094,1090 22.682,1091 4.582,1092 14.23,1093 17.393,1094 14.758,1095 28.303,1096 13.598,1097 2.796,1098 9.709,1099 24.607,1100 4.347,1101 15.429,1102 18.913,1103 16.1,1104 30.802,1105 14.744,1106 2.559,1107 9.252,1108 26.539,1109 4.065,1110 16.605,1111 20.361,1112 17.441,1113 33.288,1114 15.851,1115 2.359,1116 8.426,1117 28.476,1118 3.655,1119 17.801,1120 21.865,1121 18.783,1122 35.787,1123 16.991,1124 2.18,1125 7.348,1126 30.418,1127 3.382,1128 18.992,1129 23.338,1130 20.124,1131 38.283,1132 18.117,1133 17243,1134 32336,1135 27.452,1136 37.313,1137 64.594,1138 65.094,1139 64.9,1140 63.581,1141 63.275,1142 86.454,1143 10.636,1144 196.197,1145 60.651,1146 5.533,1147 6.475,1148 6.933,1149 5.372,1150 5.402,1151 7.582,1152 5.335,1153 19.876,1154 5.239,1155 17.922,1156 1.575,1157 1.588,1158 1.583,1159 1.551,1160 1.543,1161 2.109,1162 0.259,1163 4.785,1164 1.479,1165 4.158,1166 4.182,1167 4.13,1168 4.093,1169 8.513,1170 4.098,1171 4.025,1172 4.052,1173 3.991,1174 3.953,1175 8.201,1176 3.958,1177 3.92,1178 3.944,1179 3.896,1180 3.837,1181 7.999,1182 3.845,1183 3.687,1184 3.712,1185 3.641,1186 3.604,1187 7.999,1188 3.606,1189 3.444,1190 3.482,1191 3.389,1192 3.341,1193 7.429,1194 3.343,1195 3.317,1196 3.363,1197 3.319,1198 3.061,1199 5.039,1200 3.096,1201 3.199,1202 3.242,1203 3.134,1204 3.016,1205 4.934,1206 3.046,1207 3.018,1208 3.07,1209 2.952,1210 2.875,1211 4.588,1212 2.883,1213 0.115,1214 0.109,1215 0.177,1216 0.106,1217 0.083,1218 4.701,1219 0.112,1220 4.475,1221 0.093,1222 7.246,1223 0.301,1224 4.329,1225 0.079,1226 3.402,1227 4.582,1228 3.825,1229 12.358,1230 3.239,1231 2.103,1232 2.083,1233 2.162,1234 2.181,1235 1.309,1236 2.176,1237 2.004,1238 1.98,1239 2.075,1240 2.094,1241 1.193,1242 2.09,1243 1.879,1244 1.858,1245 1.953,1246 1.981,1247 1.078,1248 1.97,1249 1.666,1250 1.642,1251 1.777,1252 1.774,1253 0.872,1254 1.772,1255 1.423,1256 1.388,1257 1.567,1258 1.556,1259 0.629,1260 1.559,1261 1.156,1262 1.119,1263 1.313,1264 1.435,1265 0.351,1266 1.353,1267 1.1,1268 1.064,1269 1.209,1270 1.335,1271 0.275,1272 1.316,1273 0.984,1274 0.933,1275 1.207,1276 1.158,1277 0.247,1278 1.176,1279 4.419,1281 5.802,1283 7.39,1285 9.07,1287 10.799,1291 54.238,1300 1.163,1301 -4.909,1305 37.527,1306 83.33,1307 171.127,1308 230.485,1309 274.539,1310 284.539,1311 284.539,1312 79.634,1313 9.274,1314 47.78,1315 47.78,1316 36,1317 13.162,1318 4.954,1319 4.087,1320 48.778,1321 147,1322 168,1323 0.158,1324 220.257,1325 390.77,1326 529.186,1327 161766,1328 7.8,1329 25.026,1330 0.695,1331 0.512,1332 21.656,1333 18.422,1334 17.292,1335 0.422,1336 0.267,1337 10.793,1338 16.596,1339 10.651,1340 8.709,1341 15.67,1342 10.963,1343 16.945,1344 0.273,1345 0.135,1346 14.453,1347 8.38,1348 14.27,1349 0.166,1350 0.072,1351 12.898,1352 6.155,1353 12.543,1354 0.105,1355 0.037,1356 11.463,1357 4.446,1358 10.976,1359 0.066,1360 0.02,1361 10.252,1362 3.261,1363 0.244,1364 108.853,1365 0.191,1366 32.239,1367 0.451,1368 206,1369 825.115,1370 235.584,1371 699.91,1372 933.37,1373 650,1374 251,1375 674.125,1376 274.622,1377 661.54,1378 999.88,1379 624,1380 5.903}
{0 CHEMBL1765602,1 1.695,2 10.781,3 4.324,4 18.696,5 116.136,6 9.201,7 0.639,8 3.996,9 4.094,10 3.73,11 3.606,12 5.274,13 3.625,14 4.502,15 4.619,16 4.201,17 4.003,18 6.199,19 4.02,20 4.722,21 4.871,22 4.244,23 4.161,24 6.037,25 4.159,26 4.829,27 5.005,28 4.217,29 4.169,30 6.149,31 4.157,32 4.81,33 4.985,34 4.229,35 4.176,36 6.131,37 4.156,38 4.777,39 4.938,40 4.198,41 4.142,42 6.118,43 4.128,44 4.781,45 4.952,46 4.226,47 4.059,48 6.391,49 4.061,50 4.698,51 4.89,52 4.055,53 3.901,54 6.135,55 3.905,56 0.163,57 0.904,58 5.388,59 3.863,60 30.411,61 3.805,62 0.821,63 1.834,64 11.139,65 6.606,66 134.549,67 6.542,68 0.451,69 1.732,70 15.249,71 8.321,72 53.384,73 8.793,74 0.739,75 1.93,76 20.832,77 9.754,78 104.856,79 9.96,80 0.749,81 1.842,82 20.904,83 9.822,84 88.724,85 10.892,86 0.629,87 1.766,88 18.904,89 9.66,90 103.631,91 10.281,92 0.935,93 1.863,94 19.761,95 9.274,96 163.457,97 9.824,98 0.626,99 1.831,100 19.642,101 9.063,102 87.745,103 9.661,104 27,105 54,106 0.282,107 0.584,108 0.771,109 0.886,110 0.9,111 0.9,112 3.503,113 0.804,114 -5.31,115 -5.2,116 -4.86,119 51.1,132 1,135 2,142 9,143 5,144 2,145 2,146 1,147 1,158 1,163 1,164 1,165 1,172 13,174 1,175 11,177 1,178 1,180 1,183 14,185 1,187 10,192 1,195 11,197 1,198 1,199 11,204 1,207 14,209 1,212 8,217 1,220 17,222 1,223 1,224 7,229 2,232 16,234 2,236 2,237 7,242 2,245 14,247 2,250 3,258 10,262 1,263 4,265 2,266 2,268 1,271 7,273 1,275 1778,276 21.281,277 21.281,278 21.281,279 21.281,280 21.281,281 18.436,282 18.915,283 12.099,284 21.741,285 17.771,286 17.771,287 17.771,288 17.771,289 17.771,290 13.347,291 25.305,292 5.74,293 18.605,294 3.86,295 2.046,296 0.921,297 0.229,298 0.144,299 0.144,300 4.209,304 1,305 1,306 754,307 3.391,311 359.108,315 211.754,318 1.607,319 52.049,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 71.5,331 345,332 4.696,333 4.461,334 7.133,335 4.315,336 3.366,337 4.578,338 3.825,339 12.292,340 3.236,341 4.455,342 3.748,343 7.066,344 4.165,345 3.285,346 3.92,347 1.2,348 11.671,349 2.921,350 4.246,351 3.134,352 6.32,353 3.889,354 2.908,355 3.801,356 0.293,357 9.561,358 2.823,359 4.051,360 2.838,361 6.082,362 3.649,363 2.679,364 3.502,366 8.789,367 2.582,368 3.748,369 2.655,370 5.625,371 3.322,372 2.353,373 3.15,375 7.323,376 2.273,377 3.623,378 2.421,379 5.112,380 3.192,381 2.229,382 3.008,384 6.079,385 2.135,386 3.455,387 2.258,388 5.04,389 3.043,390 2.044,391 2.716,393 5.953,394 2.022,395 3.255,396 2.018,397 4.83,398 2.773,399 1.804,400 2.555,402 5.159,403 1.735,404 2.953,405 1.705,406 4.527,407 2.489,408 1.533,409 2.114,411 4.391,412 1.448,413 2.875,414 1.458,415 4.33,416 2.403,417 1.42,418 2.023,420 4,421 1.388,422 2.58,423 1.244,424 4.039,425 2.103,426 1.13,427 1.606,428 2.927,429 1.086,430 2.514,431 1.055,432 3.498,433 1.986,434 1,435 1.5,436 2.483,437 0.984,438 2.5,439 1,440 3.414,441 1.959,442 1,443 1.415,445 2.275,446 0.956,447 2.355,448 0.964,449 3.392,450 1.787,451 0.819,452 1.223,454 1.942,455 0.789,456 1.673,457 0.681,458 2.986,459 1.105,460 0.087,461 0.128,463 0.212,464 0.087,465 14.79,466 0.462,467 1.035,468 0.032,469 47,470 1.469,471 26,472 0.813,473 21,474 0.656,475 23.163,476 0.724,477 32.61,478 0.694,479 41.04,480 1.283,481 9.506,482 0.297,483 5.803,484 0.181,485 0.108,486 0.034,487 0.365,490 3,493 0.579,494 0.877,495 0.585,496 0.851,497 0.611,498 0.759,499 0.405,500 0.74,501 0.631,502 0.882,503 0.379,504 0.865,505 0.661,506 0.891,507 0.823,508 1.001,509 0.561,510 0.981,511 0.987,512 0.887,513 1.063,514 0.949,515 0.942,516 0.998,517 0.724,518 0.699,519 0.872,520 0.898,521 0.794,522 0.937,523 0.835,524 0.901,525 0.937,526 1.051,527 0.892,528 1.052,529 0.772,530 1.002,531 0.9,532 1.05,533 0.752,534 1.04,535 1.127,536 1.312,537 1.014,538 1.233,539 1.084,540 1.135,541 7.5,542 0.252,543 4.444,544 2.313,545 2.164,546 1.514,547 1.078,548 0.733,549 0.5,550 0.304,551 12886,552 45283,553 2.108,554 31.9,556 11,558 2,559 2,564 1.752,565 1.949,566 3.378,567 0.208,569 1,573 79.668,574 1.695,575 3.509,576 4.634,577 5.326,578 5.411,579 5.411,580 2.871,581 4.414,582 4.97,583 3.527,584 1749.24,585 8.733,586 24112.3,588 1,590 1,591 261.066,592 1.617,593 4.916,594 0.208,595 0.011,596 0.082,597 0.04,598 0.039,599 0.027,600 0.02,601 0.014,602 0.012,603 0.009,604 0.464,605 0.33,606 0.88,607 0.731,608 164.159,609 -0.049,610 -0.032,611 0.012,612 0.033,613 -0.115,614 0.049,615 0.4,616 0.253,617 0.088,618 0.035,619 0.39,620 -0.038,621 -0.058,622 -0.106,623 -0.041,624 -0.091,625 0.008,626 -0.066,627 -0.143,628 0.019,629 -0.149,630 0.01,631 -0.115,632 -0.034,633 0.032,634 0.112,635 0.042,636 0.072,637 -0.032,638 0.063,639 -0.057,640 -0.086,641 -0.046,642 -0.08,643 -0.079,644 -0.069,645 0.16,646 -0.088,647 0.053,648 -0.085,649 0.198,650 -0.073,651 -0.097,652 -0.299,653 0.024,654 -0.226,655 -0.058,656 -0.113,657 5.775,658 5.868,659 0.813,660 28.855,661 1.031,662 1.13,663 4.084,664 16.678,665 0.715,666 3.611,667 4.007,668 4.304,669 4.615,670 4.963,671 5.112,672 5.328,673 5.509,674 5.707,675 5.802,676 6.334,677 0.716,678 432.43,679 3.611,680 5.198,681 6.075,682 6.991,683 7.891,684 8.81,685 9.72,686 10.642,687 11.557,688 12.48,689 8.5,693 1,696 1,699 2,703 2,704 11,705 2,709 7,711 23,722 1,731 47,733 25,734 2,735 36,737 51,738 24,739 20,740 5,741 7,742 3,746 5,747 8,752 1,757 1,761 23,762 1,766 2,771 1,773 2,775 1,778 1,779 3,781 15,782 8,783 2,784 8,790 4,794 0.6,795 1,805 2,812 5,816 2,827 1,831 2,840 3,846 3,848 32,849 1,859 1,860 1,869 3,870 2.1,873 1,877 16.417,878 8.612,879 6.694,880 2.65,881 4.71,882 1.549,883 1.064,884 4.634,885 13.295,886 3.922,887 4.59,888 5.234,889 5.878,890 6.555,891 6.97,892 7.503,893 8.016,894 8.544,895 8.925,896 1,897 58,898 12.324,900 5.957,901 8.216,902 21.633,904 18.244,905 2.716,906 86.917,909 1,910 153.024,911 160.099,912 69.593,914 25.145,915 44.88,917 160.099,918 178.169,919 114.473,921 3.124,922 137.136,923 86.963,924 85.948,925 2.328,926 129.482,927 7.76,928 153.024,929 229.691,930 70.025,933 153.024,934 70.025,937 31.123,938 146.045,939 52.524,941 197.905,942 94.737,943 160.099,946 160.784,947 30.005,948 125.458,950 136.494,951 153.024,952 139.618,953 160.099,955 0.603,956 0.348,957 0.185,958 0.112,959 29,960 13,961 0.039,962 2,963 2,964 1.154,965 4.091,966 321.949,967 0.154,968 26,969 155.245,974 20.081,975 7.385,976 3.598,977 1.239,978 139.618,979 16.975,980 8.559,984 2.413,986 32.897,987 452.741,988 49.5,993 12.868,995 2.94,997 -0.441,999 48.458,1000 53.128,1001 0.305,1002 0.632,1003 0.834,1004 0.959,1005 0.974,1006 0.974,1007 5.192,1008 1.804,1009 6.116,1010 5.953,1011 4.691,1012 5.278,1013 3.166,1014 7.009,1015 4.607,1016 6.447,1017 1.533,1018 7.732,1019 5.159,1020 4.511,1021 5.182,1022 3.911,1023 8.197,1024 4.301,1025 7.788,1026 1.42,1027 9.456,1028 4.391,1029 6.405,1030 7.547,1031 5.436,1032 11.271,1033 6.218,1034 9.165,1035 1.13,1036 11.244,1037 4,1038 7.004,1039 8.226,1040 6.691,1041 13.255,1042 6.686,1043 10.57,1044 1,1045 13.074,1046 2.927,1047 8.436,1048 10.098,1049 8.059,1050 15.915,1051 8.118,1052 11.997,1053 1,1054 14.931,1055 2.483,1056 9.37,1057 11.162,1058 9.389,1059 18.204,1060 8.94,1061 13.441,1062 0.819,1063 16.809,1064 2.275,1065 10.638,1066 12.819,1067 10.734,1068 20.738,1069 10.183,1070 3.366,1071 0.087,1072 18.703,1073 1.942,1074 11.718,1075 14.091,1076 12.074,1077 23.145,1078 11.173,1079 3.285,1080 12.292,1081 20.608,1082 0.212,1083 12.93,1084 15.651,1085 13.417,1086 25.642,1087 12.343,1088 2.908,1089 11.671,1090 22.523,1091 4.578,1092 14.073,1093 17.034,1094 14.758,1095 28.097,1096 13.413,1097 2.679,1098 9.561,1099 24.445,1100 3.92,1101 15.268,1102 18.555,1103 16.1,1104 30.585,1105 14.559,1106 2.353,1107 8.789,1108 26.374,1109 3.801,1110 16.44,1111 19.997,1112 17.441,1113 33.06,1114 15.668,1115 2.229,1116 7.323,1117 28.307,1118 3.502,1119 17.632,1120 21.505,1121 18.783,1122 35.547,1123 16.81,1124 2.044,1125 6.079,1126 30.244,1127 3.15,1128 18.817,1129 22.979,1130 20.124,1131 38.031,1132 17.939,1133 12169,1134 23007,1135 23.868,1136 33.62,1137 56.708,1138 56.623,1139 56.814,1140 55.608,1141 55.31,1142 74.476,1143 10.636,1144 170.113,1145 52.928,1146 5.527,1147 6.461,1148 6.674,1149 5.359,1150 5.366,1151 7.578,1152 5.335,1153 19.775,1154 5.236,1155 16.739,1156 1.575,1157 1.573,1158 1.578,1159 1.545,1160 1.536,1161 2.069,1162 0.295,1163 4.725,1164 1.47,1165 4.139,1166 4.164,1167 4.112,1168 4.069,1169 8.513,1170 4.076,1171 3.93,1172 3.959,1173 3.892,1174 3.851,1175 7.999,1176 3.855,1177 3.846,1178 3.884,1179 3.803,1180 3.747,1181 7.999,1182 3.755,1183 3.64,1184 3.67,1185 3.591,1186 3.533,1187 7.429,1188 3.539,1189 3.328,1190 3.373,1191 3.332,1192 3.118,1193 5.178,1194 3.142,1195 3.261,1196 3.305,1197 3.211,1198 3.023,1199 4.982,1200 3.069,1201 3.017,1202 3.095,1203 2.923,1204 2.88,1205 4.688,1206 2.88,1207 3,1208 3.057,1209 2.899,1210 2.836,1211 4.589,1212 2.847,1213 0.13,1214 0.124,1215 0.198,1216 0.12,1217 0.094,1218 4.696,1219 0.127,1220 4.461,1221 0.106,1222 7.133,1223 0.341,1224 4.315,1225 0.09,1226 3.366,1227 4.578,1228 3.825,1229 12.292,1230 3.236,1231 2.086,1232 2.065,1233 2.141,1234 2.169,1235 1.295,1236 2.161,1237 1.905,1238 1.881,1239 1.996,1240 2.007,1241 1.105,1242 2.003,1243 1.809,1244 1.778,1245 1.903,1246 1.933,1247 0.974,1248 1.925,1249 1.607,1250 1.577,1251 1.73,1252 1.74,1253 0.781,1254 1.735,1255 1.212,1256 1.174,1257 1.355,1258 1.447,1259 0.378,1260 1.399,1261 1.105,1262 1.069,1263 1.225,1264 1.398,1265 0.295,1266 1.336,1267 0.991,1268 0.94,1269 1.208,1270 1.239,1271 0.257,1272 1.24,1273 0.961,1274 0.904,1275 1.185,1276 1.154,1277 0.213,1278 1.172,1279 4.29,1281 5.666,1283 7.244,1285 8.912,1287 10.629,1291 39.924,1293 5.674,1300 1.291,1301 -4.525,1305 33.638,1306 79.668,1307 164.921,1308 217.781,1309 250.311,1310 254.311,1311 254.311,1312 66.648,1313 8.585,1314 73.8,1315 73.8,1316 30,1317 12.988,1318 4.7,1319 3.858,1320 45.379,1321 117,1322 148,1323 0.186,1324 200.731,1325 355.04,1326 481.545,1327 67887,1328 6.4,1329 22.457,1330 0.702,1331 0.515,1332 19.957,1333 16.467,1334 15.309,1335 0.425,1336 0.268,1337 9.498,1338 14.684,1339 9.365,1340 7.684,1341 14.097,1342 9.652,1343 15.053,1344 0.279,1345 0.136,1346 13.096,1347 7.321,1348 12.341,1349 0.169,1350 0.072,1351 11.378,1352 5.269,1353 10.415,1354 0.104,1355 0.037,1356 9.882,1357 3.745,1358 9.409,1359 0.066,1360 0.019,1361 8.845,1362 2.76,1363 0.283,1364 96.376,1365 0.205,1366 29.143,1367 0.538,1368 180,1369 698.316,1370 206.836,1371 603.989,1372 806.57,1373 560,1374 217,1375 584.636,1376 237.629,1377 576.737,1378 869.31,1379 543,1380 6.699}
{0 CHEMBL1765603,1 1.772,2 9.484,3 4.332,4 18.762,5 107.183,6 9.869,7 0.629,8 3.933,9 4.024,10 3.719,11 3.524,12 5.254,13 3.563,14 4.45,15 4.56,16 4.195,17 3.926,18 6.199,19 3.969,20 4.645,21 4.784,22 4.227,23 4.062,24 6.022,25 4.087,26 4.764,27 4.919,28 4.305,29 4.077,30 6.446,31 4.107,32 4.74,33 4.905,34 4.211,35 4.092,36 6.118,37 4.093,38 4.72,39 4.881,40 4.178,41 4.045,42 6.101,43 4.055,44 4.707,45 4.869,46 4.257,47 3.936,48 6.469,49 3.982,50 4.594,51 4.767,52 4.066,53 3.733,54 6.18,55 3.801,56 0.263,57 0.958,58 3.582,59 3.566,60 39.985,61 3.113,62 0.927,63 1.898,64 8.048,65 5.972,66 147.191,67 5.001,68 0.698,69 1.814,70 11.699,71 7.744,72 97.069,73 7.234,74 1.376,75 2.327,76 16.554,77 8.892,78 219.135,79 7.845,80 0.962,81 1.814,82 16.296,83 8.644,84 116.997,85 8.761,86 0.904,87 1.787,88 16.234,89 8.921,90 142.753,91 8.901,92 1.224,93 1.908,94 16.327,95 8.5,96 210.433,97 8.353,98 0.914,99 1.899,100 14.809,101 7.891,102 126.418,103 7.208,104 27,105 53,106 0.3,107 0.647,108 0.823,109 0.9,110 0.9,111 0.9,112 3.473,113 0.783,114 -5.07,115 -4.97,116 -4.66,119 51.2,132 1,135 2,142 6,143 5,144 3,145 2,146 1,151 1,158 1,168 1,172 9,174 1,175 10,180 1,183 10,187 9,192 1,195 8,198 1,199 10,204 2,207 10,212 8,217 2,220 15,223 1,224 4,232 12,236 2,237 5,240 2,242 1,245 10,250 1,255 1,258 4,262 1,263 3,266 1,268 3,275 1570,276 20.626,277 20.626,278 20.626,279 20.626,280 20.626,281 17.884,282 16.03,283 11.698,284 21.108,285 17.276,286 17.276,287 17.276,288 17.276,289 17.276,290 12.999,291 22.452,292 5.535,293 18.161,294 3.654,295 1.606,296 0.564,297 0.111,298 0.111,299 0.111,300 4.177,304 1,305 1,306 644,307 3.391,310 68.73,311 262.026,315 202.29,318 1.498,319 59.966,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 71,331 294,332 4.7,333 4.475,334 7.246,335 4.328,336 3.402,337 4.578,338 3.825,339 12.358,340 3.238,341 4.54,342 3.749,343 7.076,344 4.221,345 3.305,346 4.067,347 1.2,348 12.094,349 2.985,350 4.24,351 3.134,352 6.32,353 3.884,354 2.903,355 3.79,356 0.293,357 9.559,358 2.836,359 4.031,360 2.978,361 6.08,362 3.636,363 2.666,364 3.492,366 8.78,367 2.575,368 3.738,369 2.809,370 5.633,371 3.319,372 2.375,373 3.098,375 7.364,376 2.251,377 3.536,378 2.542,379 5.426,380 3.144,381 2.192,382 2.794,384 6.729,385 2.057,386 3.353,387 2.293,388 4.991,389 2.908,390 1.917,391 2.642,393 5.485,394 1.838,395 3.273,396 1.825,397 4.814,398 2.755,399 1.793,400 2.584,402 5.102,403 1.722,404 3.148,405 1.749,406 4.484,407 2.677,408 1.705,409 2.406,411 4.532,412 1.648,413 2.583,414 1.443,415 4.092,416 2.116,417 1.155,418 1.616,420 3.173,421 1.092,422 2.576,423 1.212,424 4.019,425 2.055,426 1.079,427 1.487,428 2.978,429 1.049,430 2.451,431 1.017,432 3.423,433 1.944,434 0.969,435 1.416,436 2.213,437 0.943,438 2.271,439 0.886,440 3.293,441 1.718,442 0.741,443 1.113,445 1.802,446 0.722,447 2.118,448 0.716,449 3.03,450 1.547,451 0.618,452 0.927,454 1.372,455 0.572,456 1.724,457 0.618,458 3,459 1.169,460 0.183,461 0.254,463 0.442,464 0.174,465 14.076,466 0.454,467 1.018,468 0.033,469 44,470 1.419,471 23.5,472 0.758,473 20.5,474 0.661,475 23.07,476 0.744,477 32.124,478 0.747,479 38.98,480 1.257,481 9.043,482 0.292,483 5.783,484 0.187,485 0.105,486 0.036,487 0.384,490 3,491 1,493 0.549,494 0.83,495 0.524,496 0.859,497 0.56,498 0.758,499 0.485,500 0.756,501 0.627,502 0.866,503 0.433,504 0.85,505 0.729,506 0.912,507 0.819,508 1.024,509 0.668,510 1,511 0.819,512 0.808,513 0.965,514 0.934,515 0.778,516 0.991,517 0.648,518 0.63,519 0.915,520 0.913,521 0.717,522 1.022,523 0.792,524 0.851,525 0.929,526 1.036,527 0.838,528 1.068,529 0.732,530 0.987,531 0.802,532 1.038,533 0.711,534 1.009,535 1.265,536 1.438,537 1.075,538 1.34,539 1.208,540 1.202,541 7,542 0.19,543 4.444,544 2.528,545 2.223,546 1.444,547 1.108,548 0.798,549 0.492,550 0.283,551 11578,552 45013,553 2.112,554 27.9,556 8,557 1,558 2,559 1,564 1.745,565 1.948,566 3.232,567 -0.297,569 1,573 76.202,574 1.772,575 3.82,576 4.862,577 5.316,578 5.316,579 5.316,580 2.65,581 4.438,582 4.927,583 3.406,584 1583.9,585 8.652,586 21275.1,588 1,590 1,591 233.329,592 1.633,593 4.868,594 0.2,595 0.012,596 0.084,597 0.045,598 0.039,599 0.027,600 0.021,601 0.015,602 0.012,603 0.01,604 0.465,605 0.33,606 0.88,607 0.744,608 156.479,609 -0.02,610 -0.016,611 0.016,612 0.013,613 -0.072,614 0.029,615 0.273,616 0.19,617 0.041,618 0.038,619 0.298,620 -0.047,621 -0.071,622 -0.116,623 -0.037,624 -0.101,625 -0.026,626 -0.066,627 0.093,628 0.144,629 -0.06,630 0.031,631 0.133,632 -0.044,633 0.037,634 0.114,635 -0.022,636 0.029,637 -0.035,638 -0.011,639 -0.058,640 -0.094,641 -0.005,642 -0.07,643 -0.082,644 -0.035,645 0.199,646 -0.088,647 0.183,648 -0.069,649 0.238,650 -0.014,651 -0.177,652 -0.386,653 -0.017,654 -0.33,655 -0.116,656 -0.188,657 6.146,658 5.833,659 0.806,660 25.33,661 1.049,662 1.141,663 3.844,664 14.774,665 0.716,666 3.584,667 3.989,668 4.304,669 4.635,670 4.92,671 5.1,672 5.333,673 5.521,674 5.687,675 5.759,676 5.974,677 0.732,678 424.38,679 3.584,680 5.176,681 6.061,682 6.986,683 7.891,684 8.818,685 9.732,686 10.661,687 11.58,688 12.509,689 9.3,696 1,697 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,730 1,731 43,733 24,734 2,735 35,737 47,738 22,739 18,740 6,741 6,742 3,746 5,747 8,752 1,757 1,761 21,762 1,766 2,771 1,773 2,775 1,778 1,779 4,781 12,782 8,783 1,784 9,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,846 4,848 31,859 1,860 1,869 4,870 2.3,873 1,877 15.917,878 8.005,879 6.472,880 2.443,881 4.454,882 1.527,883 1.071,884 4.334,885 12.91,886 3.892,887 4.567,888 5.224,889 5.877,890 6.488,891 6.949,892 7.487,893 8.002,894 8.5,895 8.841,896 1,897 56,898 12.309,900 6.318,901 8.384,902 20.705,904 17.548,905 2.884,906 89.417,909 1,910 129.482,911 147.51,912 53.236,914 25.145,915 59.84,917 147.51,918 154.627,919 113.076,921 3.124,922 84.857,923 86.84,924 111.732,925 26.731,926 94.169,927 7.76,928 129.482,929 200.746,930 84.985,933 144.442,934 70.025,937 47.786,938 100.559,939 52.401,941 189.323,942 78.381,943 147.51,946 137.242,947 36.799,948 106.077,949 16.663,950 118.434,951 129.482,952 138.221,953 147.51,955 0.604,956 0.355,957 0.197,958 0.107,959 29,960 13,961 0.043,962 2,963 2,964 1.16,965 3.986,966 312.258,967 0.16,968 25,969 148.825,974 19.322,975 6.953,976 3.249,977 1.115,978 121.558,979 12.745,980 8.312,981 2.723,984 -0.426,986 16.663,987 415.214,988 48,993 12.789,995 2.797,997 -0.548,999 45.087,1000 49.053,1001 0.327,1002 0.704,1003 0.896,1004 0.98,1005 0.98,1006 0.98,1007 5.168,1008 1.793,1009 6.107,1010 5.485,1011 4.673,1012 5.255,1013 3.166,1014 7.018,1015 4.581,1016 6.427,1017 1.705,1018 7.734,1019 5.102,1020 4.511,1021 5.182,1022 3.911,1023 8.231,1024 4.292,1025 7.774,1026 1.155,1027 9.469,1028 4.532,1029 6.402,1030 7.536,1031 5.436,1032 11.325,1033 6.204,1034 9.158,1035 1.079,1036 11.269,1037 3.173,1038 7.031,1039 8.263,1040 6.691,1041 13.331,1042 6.706,1043 10.572,1044 0.969,1045 13.109,1046 2.978,1047 8.453,1048 10.104,1049 8.059,1050 16.009,1051 8.125,1052 12.007,1053 0.741,1054 14.977,1055 2.213,1056 9.413,1057 11.214,1058 9.389,1059 18.317,1060 8.976,1061 13.46,1062 0.618,1063 16.865,1064 1.802,1065 10.68,1066 12.846,1067 10.734,1068 20.869,1069 10.212,1070 3.402,1071 0.183,1072 18.769,1073 1.372,1074 11.779,1075 14.149,1076 12.074,1077 23.294,1078 11.221,1079 3.305,1080 12.358,1081 20.684,1082 0.442,1083 12.995,1084 15.694,1085 13.417,1086 25.808,1087 12.39,1088 2.903,1089 12.094,1090 22.609,1091 4.578,1092 14.153,1093 17.095,1094 14.758,1095 28.28,1096 13.471,1097 2.666,1098 9.559,1099 24.541,1100 4.067,1101 15.356,1102 18.607,1103 16.1,1104 30.784,1105 14.618,1106 2.375,1107 8.78,1108 26.48,1109 3.79,1110 16.54,1111 20.058,1112 17.441,1113 33.274,1114 15.733,1115 2.192,1116 7.364,1117 28.424,1118 3.492,1119 17.742,1120 21.56,1121 18.783,1122 35.776,1123 16.876,1124 1.917,1125 6.729,1126 30.372,1127 3.098,1128 18.938,1129 23.037,1130 20.124,1131 38.274,1132 18.008,1133 10908,1134 21719,1135 23.175,1136 30.796,1137 55.422,1138 55.28,1139 55.055,1140 54.298,1141 54.005,1142 72.526,1143 10.636,1144 167.964,1145 51.403,1146 5.532,1147 6.475,1148 6.843,1149 5.372,1150 5.402,1151 7.578,1152 5.335,1153 19.876,1154 5.238,1155 16.027,1156 1.583,1157 1.579,1158 1.573,1159 1.551,1160 1.543,1161 2.072,1162 0.304,1163 4.799,1164 1.469,1165 4.142,1166 4.168,1167 4.115,1168 4.067,1169 8.513,1170 4.075,1171 3.942,1172 3.975,1173 3.915,1174 3.848,1175 8.2,1176 3.857,1177 3.849,1178 3.898,1179 3.809,1180 3.704,1181 7.999,1182 3.721,1183 3.629,1184 3.663,1185 3.581,1186 3.488,1187 7.999,1188 3.503,1189 3.324,1190 3.369,1191 3.331,1192 3.076,1193 7.429,1194 3.11,1195 3.232,1196 3.275,1197 3.181,1198 3.018,1199 5.063,1200 3.056,1201 3.017,1202 3.07,1203 2.953,1204 2.875,1205 4.937,1206 2.883,1207 2.902,1208 2.952,1209 2.825,1210 2.749,1211 4.585,1212 2.759,1213 0.134,1214 0.128,1215 0.207,1216 0.124,1217 0.097,1218 4.7,1219 0.131,1220 4.475,1221 0.109,1222 7.246,1223 0.353,1224 4.328,1225 0.093,1226 3.402,1227 4.578,1228 3.825,1229 12.358,1230 3.238,1231 2.077,1232 2.057,1233 2.13,1234 2.162,1235 1.289,1236 2.153,1237 1.887,1238 1.866,1239 1.96,1240 1.99,1241 1.088,1242 1.978,1243 1.689,1244 1.666,1245 1.791,1246 1.797,1247 0.898,1248 1.793,1249 1.419,1250 1.385,1251 1.551,1252 1.668,1253 0.626,1254 1.621,1255 1.244,1256 1.14,1257 1.411,1258 1.535,1259 0.34,1260 1.515,1261 1.123,1262 1.085,1263 1.285,1264 1.432,1265 0.274,1266 1.344,1267 1.09,1268 1.051,1269 1.207,1270 1.288,1271 0.252,1272 1.283,1273 0.982,1274 0.932,1275 1.174,1276 1.156,1277 0.217,1278 1.164,1279 4.263,1281 5.645,1282 2.398,1283 7.225,1284 4.443,1285 8.899,1286 6.293,1287 10.625,1291 53.659,1300 1.146,1301 -4.896,1305 31.494,1306 76.202,1307 164.256,1308 209.065,1309 228.574,1310 228.574,1311 228.574,1312 71.843,1313 8.456,1314 63.57,1315 63.57,1316 29,1317 13.013,1318 4.644,1319 3.807,1320 43.243,1321 108,1322 110,1323 0.194,1324 185.672,1325 329.15,1326 444.801,1327 56829,1328 9.3,1329 21.75,1330 0.702,1331 0.504,1332 18.38,1333 15.613,1334 14.826,1335 0.424,1336 0.261,1337 8.949,1338 14.049,1339 8.867,1340 7.239,1341 13.204,1342 9.136,1343 14.611,1344 0.276,1345 0.131,1346 12.12,1347 6.95,1348 12.09,1349 0.166,1350 0.069,1351 10.718,1352 5.062,1353 10.634,1354 0.104,1355 0.036,1356 9.554,1357 3.626,1358 8.732,1359 0.064,1360 0.019,1361 8.008,1362 2.532,1363 0.293,1364 94.601,1365 0.208,1366 28.205,1367 0.569,1368 176,1369 775.448,1370 206.639,1371 645.795,1372 851.07,1373 598,1374 214,1375 609.477,1376 238.704,1377 591.886,1378 893.5,1379 557,1380 5.903}
{0 CHEMBL1765604,1 1.755,2 10.188,3 4.537,4 20.588,5 112.08,6 9.531,7 0.611,8 3.988,9 4.083,10 3.75,11 3.568,12 5.28,13 3.601,14 4.518,15 4.646,16 4.229,17 3.968,18 6.223,19 4.008,20 4.703,21 4.846,22 4.263,23 4.117,24 6.066,25 4.137,26 4.833,27 4.997,28 4.325,29 4.136,30 6.469,31 4.15,32 4.788,33 4.959,34 4.242,35 4.138,36 6.138,37 4.133,38 4.771,39 4.928,40 4.216,41 4.113,42 6.136,43 4.113,44 4.803,45 4.98,46 4.291,47 4.023,48 6.497,49 4.048,50 4.676,51 4.855,52 4.126,53 3.827,54 6.213,55 3.879,56 0.238,57 0.997,58 4.505,59 3.947,60 35.851,61 3.72,62 0.95,63 1.962,64 11.236,65 6.466,66 146.842,67 5.977,68 0.66,69 1.897,70 13.545,71 8.178,72 85.475,73 7.818,74 1.356,75 2.412,76 19.738,77 9.81,78 213.6,79 9.382,80 0.933,81 1.876,82 19.098,83 9.28,84 108.883,85 9.933,86 0.826,87 1.874,88 17.185,89 9.497,90 126.711,91 9.604,92 1.239,93 2.017,94 20.724,95 9.715,96 210.484,97 10.349,98 0.863,99 2.001,100 17.726,101 8.767,102 118.687,103 8.611,104 38,105 55,106 0.294,107 0.656,108 0.819,109 0.89,110 0.89,111 0.89,112 3.503,113 0.794,114 -5.28,115 -5.17,116 -4.83,119 50,124 1,132 1,135 2,142 6,143 5,144 3,145 2,146 1,151 1,158 1,166 1,172 9,174 1,175 11,183 10,187 10,195 8,198 1,199 12,207 10,212 10,220 15,223 1,224 4,232 12,236 4,237 6,245 10,250 2,258 4,262 2,263 6,275 1736,276 21.074,277 21.074,278 21.074,279 21.074,280 21.074,281 18.306,282 19.192,283 11.834,284 21.577,285 17.759,286 17.759,287 17.759,288 17.759,289 17.759,290 13.409,291 24.952,292 5.614,293 18.692,294 3.768,295 1.605,296 0.631,297 0.207,298 0.207,299 0.207,300 4.206,304 1,305 1,306 711,307 3.464,310 72.03,311 273.942,315 211.992,318 1.535,319 60.395,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 73,331 326,332 4.7,333 4.475,334 7.246,335 4.329,336 3.402,337 4.579,338 3.825,339 12.358,340 3.239,341 4.54,342 3.749,343 7.076,344 4.222,345 3.306,346 4.068,347 1.2,348 12.094,349 2.987,350 4.278,351 3.137,352 6.325,353 3.912,354 2.933,355 3.882,356 0.293,357 9.594,358 2.859,359 4.074,360 2.979,361 6.108,362 3.67,363 2.706,364 3.535,366 8.888,367 2.598,368 3.757,369 2.874,370 5.637,371 3.342,372 2.394,373 3.127,375 7.387,376 2.274,377 3.583,378 2.568,379 5.426,380 3.177,381 2.234,382 2.918,384 6.732,385 2.089,386 3.474,387 2.361,388 5.047,389 3.068,390 2.106,391 2.753,393 6.038,394 2.01,395 3.352,396 2.169,397 4.991,398 2.904,399 1.913,400 2.603,402 5.485,403 1.837,404 3.173,405 1.803,406 4.81,407 2.696,408 1.732,409 2.438,411 5.067,412 1.66,413 2.73,414 1.446,415 4.19,416 2.261,417 1.283,418 1.815,420 3.563,421 1.253,422 2.583,423 1.329,424 4.059,425 2.115,426 1.155,427 1.616,428 3.162,429 1.092,430 2.565,431 1.209,432 4.01,433 2.053,434 1.075,435 1.486,436 2.949,437 1.048,438 2.351,439 0.963,440 3.413,441 1.786,442 0.824,443 1.224,445 1.952,446 0.789,447 2.174,448 0.773,449 3.269,450 1.617,451 0.674,452 1.007,454 1.655,455 0.634,456 1.726,457 0.675,458 3.035,459 1.171,460 0.184,461 0.256,463 0.445,464 0.176,465 14.576,466 0.456,467 1.125,468 0.035,469 44.75,470 1.398,471 23.5,472 0.734,473 21.25,474 0.664,475 24.696,476 0.772,477 33.424,478 0.727,479 40.627,480 1.27,481 9.159,482 0.286,483 6.06,484 0.189,485 0.136,486 0.034,487 0.398,490 3,491 1,493 0.534,494 0.891,495 0.532,496 0.936,497 0.556,498 0.819,499 0.502,500 0.746,501 0.6,502 0.79,503 0.417,504 0.756,505 0.751,506 0.918,507 0.847,508 1.008,509 0.675,510 0.986,511 0.794,512 0.82,513 0.949,514 0.963,515 0.757,516 1.01,517 0.642,518 0.631,519 0.854,520 0.877,521 0.708,522 0.95,523 0.788,524 0.884,525 0.942,526 1.085,527 0.837,528 1.107,529 0.687,530 0.957,531 0.768,532 1.013,533 0.672,534 0.978,535 1.195,536 1.434,537 0.985,538 1.324,539 1.148,540 1.159,541 8,542 0.222,543 4.667,544 2.847,545 2.383,546 1.524,547 1.143,548 0.876,549 0.557,550 0.382,551 12597,552 47104,553 2.089,554 30.4,556 11,557 1,558 2,564 1.752,565 1.91,566 3.307,567 -0.712,573 80.739,574 1.755,575 3.919,576 4.893,577 5.317,578 5.317,579 5.317,580 2.726,581 4.5,582 4.972,583 3.473,584 1722.83,585 8.74,586 23668,588 1,591 254.084,592 1.668,593 4.905,594 0.222,595 0.011,596 0.085,597 0.049,598 0.041,599 0.027,600 0.021,601 0.016,602 0.012,603 0.012,604 0.497,605 0.5,606 0.88,607 0.765,608 163.58,609 -0.008,610 -0.059,611 0.033,612 -0.039,613 -0.073,614 -0.006,615 0.264,616 0.202,617 0.122,618 0.122,619 0.311,620 0.08,621 -0.092,622 -0.098,623 -0.086,624 -0.088,625 -0.041,626 -0.078,627 0.109,628 0.13,629 -0.041,630 0.006,631 0.143,632 -0.055,633 0.044,634 0.127,635 0.028,636 0.071,637 -0.024,638 0.05,639 -0.061,640 -0.102,641 -0.075,642 -0.123,643 -0.088,644 -0.118,645 0.217,646 -0.078,647 0.226,648 -0.038,649 0.248,650 0.036,651 -0.133,652 -0.395,653 0.046,654 -0.319,655 -0.08,656 -0.154,657 6.147,658 5.866,659 0.781,660 27.297,661 1.043,662 1.141,663 4.051,664 16.413,665 0.708,666 3.611,667 4.025,668 4.331,669 4.663,670 4.956,671 5.124,672 5.357,673 5.557,674 5.737,675 5.817,676 6.186,677 0.718,678 438.41,679 3.611,680 5.209,681 6.094,682 7.02,683 7.925,684 8.853,685 9.767,686 10.696,687 11.614,688 12.544,689 8.7,696 1,697 1,699 2,703 2,704 9,705 2,709 7,710 1,711 22,730 1,731 46,733 24,734 2,735 36,737 50,738 23,739 18,740 6,741 6,742 3,746 5,747 8,752 1,757 1,761 21,762 2,766 2,771 1,773 2,775 1,778 1,779 4,781 14,782 8,784 9,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,844 1,846 4,848 32,859 1,860 1,869 4,870 2.2,873 1,877 16.75,878 8.955,879 6.639,880 2.616,881 4.491,882 1.525,883 1.054,884 4.561,885 13.052,886 3.912,887 4.598,888 5.248,889 5.901,890 6.518,891 6.969,892 7.508,893 8.034,894 8.545,895 8.895,896 0.857,897 58,898 12.691,900 6.462,901 8.341,902 21.487,904 18.144,905 2.841,906 90.917,909 1,910 164.795,911 155.907,912 38.349,914 25.145,915 59.84,917 155.907,918 189.94,919 98.19,920 8.396,921 3.124,922 84.857,923 86.84,924 96.846,925 26.731,926 129.482,927 7.76,928 164.795,929 194.256,930 84.985,933 179.756,934 70.025,937 32.899,938 108.956,939 52.401,941 224.636,942 63.494,943 155.907,946 172.555,947 36.799,948 116.25,950 118.434,951 164.795,952 123.335,953 155.907,955 0.608,956 0.353,957 0.194,958 0.109,959 30,960 14,961 0.04,962 2,963 2,964 1.16,965 4.043,966 325.483,967 0.16,968 25,969 155.245,974 20.264,975 7.202,976 3.458,977 1.127,978 121.558,979 13,980 8.568,984 -0.358,985 1.647,987 444.037,988 49,993 12.836,995 2.809,997 -0.545,999 47.971,1000 52.468,1001 0.318,1002 0.709,1003 0.886,1004 0.963,1005 0.963,1006 0.963,1007 5.196,1008 1.913,1009 6.146,1010 6.038,1011 4.71,1012 5.286,1013 3.166,1014 7.057,1015 4.615,1016 6.462,1017 1.732,1018 7.774,1019 5.485,1020 4.575,1021 5.255,1022 3.911,1023 8.26,1024 4.357,1025 7.813,1026 1.283,1027 9.508,1028 5.067,1029 6.441,1030 7.574,1031 5.436,1032 11.349,1033 6.24,1034 9.199,1035 1.155,1036 11.303,1037 3.563,1038 7.074,1039 8.318,1040 6.691,1041 13.344,1042 6.749,1043 10.614,1044 1.075,1045 13.138,1046 3.162,1047 8.488,1048 10.145,1049 8.059,1050 16.021,1051 8.158,1052 12.049,1053 0.824,1054 15.001,1055 2.949,1056 9.446,1057 11.261,1058 9.389,1059 18.325,1060 9.008,1061 13.501,1062 0.674,1063 16.885,1064 1.952,1065 10.708,1066 12.886,1067 10.734,1068 20.876,1069 10.24,1070 3.402,1071 0.184,1072 18.785,1073 1.655,1074 11.805,1075 14.19,1076 12.074,1077 23.299,1078 11.248,1079 3.306,1080 12.358,1081 20.698,1082 0.445,1083 13.018,1084 15.732,1085 13.417,1086 25.813,1087 12.415,1088 2.933,1089 12.094,1090 22.62,1091 4.579,1092 14.174,1093 17.131,1094 14.758,1095 28.283,1096 13.494,1097 2.706,1098 9.594,1099 24.551,1100 4.068,1101 15.375,1102 18.64,1103 16.1,1104 30.786,1105 14.64,1106 2.394,1107 8.888,1108 26.488,1109 3.882,1110 16.557,1111 20.089,1112 17.441,1113 33.276,1114 15.754,1115 2.234,1116 7.387,1117 28.43,1118 3.535,1119 17.757,1120 21.589,1121 18.783,1122 35.778,1123 16.896,1124 2.106,1125 6.732,1126 30.377,1127 3.127,1128 18.952,1129 23.063,1130 20.124,1131 38.275,1132 18.027,1133 11927,1134 23310,1135 23.581,1136 32.557,1137 57.29,1138 57.308,1139 57.66,1140 56.145,1141 55.846,1142 74.611,1143 10.636,1144 174.736,1145 53.088,1146 5.532,1147 6.475,1148 6.622,1149 5.372,1150 5.402,1151 7.579,1152 5.335,1153 19.876,1154 5.239,1155 18.148,1156 1.591,1157 1.592,1158 1.602,1159 1.56,1160 1.551,1161 2.073,1162 0.295,1163 4.854,1164 1.475,1165 4.144,1166 4.172,1167 4.118,1168 4.068,1169 8.513,1170 4.076,1171 3.948,1172 3.987,1173 3.92,1174 3.849,1175 8.2,1176 3.859,1177 3.873,1178 3.917,1179 3.837,1180 3.722,1181 7.999,1182 3.741,1183 3.642,1184 3.674,1185 3.594,1186 3.509,1187 7.999,1188 3.523,1189 3.327,1190 3.373,1191 3.333,1192 3.098,1193 7.429,1194 3.125,1195 3.256,1196 3.303,1197 3.199,1198 3.022,1199 5.029,1200 3.065,1201 3.042,1202 3.122,1203 2.957,1204 2.88,1205 4.901,1206 2.883,1207 3.013,1208 3.067,1209 2.872,1210 2.85,1211 4.585,1212 2.847,1213 0.131,1214 0.124,1215 0.201,1216 0.12,1217 0.095,1218 4.7,1219 0.127,1220 4.475,1221 0.106,1222 7.246,1223 0.343,1224 4.329,1225 0.09,1226 3.402,1227 4.579,1228 3.825,1229 12.358,1230 3.239,1231 2.077,1232 2.057,1233 2.13,1234 2.162,1235 1.29,1236 2.153,1237 1.887,1238 1.866,1239 1.96,1240 1.99,1241 1.088,1242 1.978,1243 1.692,1244 1.668,1245 1.797,1246 1.822,1247 0.907,1248 1.81,1249 1.494,1250 1.426,1251 1.717,1252 1.772,1253 0.763,1254 1.757,1255 1.37,1256 1.309,1257 1.506,1258 1.537,1259 0.573,1260 1.524,1261 1.123,1262 1.087,1263 1.286,1264 1.432,1265 0.331,1266 1.344,1267 1.09,1268 1.051,1269 1.207,1270 1.29,1271 0.273,1272 1.284,1273 0.982,1274 0.932,1275 1.174,1276 1.156,1277 0.227,1278 1.164,1279 4.29,1281 5.68,1282 2.398,1283 7.261,1284 4.595,1285 8.932,1286 6.555,1287 10.656,1289 1.784,1291 53.794,1300 1.154,1301 -4.897,1305 33.021,1306 80.739,1307 180.256,1308 225.064,1309 244.574,1310 244.574,1311 244.574,1312 74.894,1313 8.56,1314 52.71,1315 52.71,1316 29,1317 13.048,1318 4.644,1319 3.807,1320 45.339,1321 115,1322 134,1323 0.19,1324 195.265,1325 346.45,1326 468.206,1327 64635,1328 8.7,1329 22.621,1330 0.707,1331 0.517,1332 19.25,1333 16.56,1334 15.219,1335 0.423,1336 0.265,1337 9.33,1338 14.41,1339 9.183,1340 7.524,1341 13.597,1342 9.529,1343 15.245,1344 0.277,1345 0.134,1346 12.754,1347 7.366,1348 12.425,1349 0.166,1350 0.07,1351 11.053,1352 5.269,1353 10.885,1354 0.104,1355 0.036,1356 9.804,1357 3.787,1358 9.137,1359 0.065,1360 0.019,1361 8.413,1362 2.686,1363 0.288,1364 97.115,1365 0.206,1366 29.007,1367 0.555,1368 182,1369 786.76,1370 213.333,1371 656.535,1372 867.01,1373 608,1374 221,1375 623.77,1376 246.731,1377 607.179,1378 914.87,1379 570,1380 6}
{0 CHEMBL1765605,1 1.739,2 10.879,3 4.529,4 20.515,5 116.352,6 9.583,7 0.622,8 4.006,9 4.1,10 3.766,11 3.605,12 5.325,13 3.636,14 4.514,15 4.626,16 4.244,17 4.001,18 6.246,19 4.033,20 4.739,21 4.882,22 4.308,23 4.158,24 6.117,25 4.178,26 4.858,27 5.024,28 4.34,29 4.166,30 6.494,31 4.178,32 4.815,33 4.988,34 4.255,35 4.175,36 6.159,37 4.161,38 4.786,39 4.943,40 4.242,41 4.14,42 6.159,43 4.14,44 4.799,45 4.962,46 4.317,47 4.055,48 6.522,49 4.085,50 4.721,51 4.904,52 4.155,53 3.895,54 6.252,55 3.937,56 0.237,57 0.995,58 4.574,59 3.897,60 43.022,61 3.551,62 0.905,63 1.963,64 9.782,65 6.661,66 149.338,67 6.12,68 0.661,69 1.942,70 13.921,71 8.411,72 96.41,73 8.083,74 1.368,75 2.455,76 19.825,77 9.895,78 222.656,79 9.248,80 0.929,81 1.907,82 19.877,83 9.836,84 119.777,85 10.75,86 0.819,87 1.889,88 17.693,89 9.707,90 138.786,91 9.936,92 1.19,93 2.044,94 18.544,95 9.35,96 213.182,97 9.371,98 0.886,99 2.055,100 18.741,101 9.155,102 131.587,103 9.008,104 38,105 56,106 0.289,107 0.618,108 0.787,109 0.886,110 0.9,111 0.9,112 3.533,113 0.791,114 -5.42,115 -5.3,116 -4.95,119 51.1,132 1,135 2,142 8,143 5,144 3,145 2,146 1,147 1,158 1,163 1,164 1,165 1,172 11,174 1,175 11,177 1,178 1,180 1,183 12,185 1,187 10,192 1,195 11,197 1,198 1,199 10,204 1,207 14,209 1,212 8,217 1,220 17,222 1,223 1,224 6,229 2,232 13,234 2,236 2,237 7,242 2,245 12,247 2,250 2,258 8,262 1,263 4,265 2,266 2,268 1,271 5,273 1,275 1917,276 21.781,277 21.781,278 21.781,279 21.781,280 21.781,281 18.884,282 19.192,283 12.284,284 22.292,285 18.242,286 18.242,287 18.242,288 18.242,289 18.242,290 13.737,291 24.952,292 5.822,293 19.18,294 3.816,295 1.841,296 0.825,297 0.229,298 0.144,299 0.144,300 4.236,304 1,305 1,306 781,307 3.464,311 375.428,315 221.625,318 1.647,319 63.749,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 75,331 359,332 4.7,333 4.475,334 7.246,335 4.328,336 3.402,337 4.578,338 3.825,339 12.358,340 3.238,341 4.54,342 3.749,343 7.076,344 4.221,345 3.305,346 4.067,347 1.2,348 12.094,349 2.986,350 4.248,351 3.134,352 6.32,353 3.889,354 2.908,355 3.82,356 0.293,357 9.561,358 2.843,359 4.052,360 2.978,361 6.082,362 3.65,363 2.682,364 3.523,366 8.79,367 2.585,368 3.761,369 2.828,370 5.634,371 3.341,372 2.394,373 3.151,375 7.368,376 2.273,377 3.64,378 2.561,379 5.426,380 3.217,381 2.275,382 3.009,384 6.73,385 2.138,386 3.512,387 2.396,388 5.04,389 3.119,390 2.163,391 2.767,393 6.076,394 2.043,395 3.353,396 2.242,397 4.991,398 2.905,399 1.914,400 2.606,402 5.485,403 1.838,404 3.182,405 1.806,406 4.812,407 2.699,408 1.736,409 2.454,411 5.081,412 1.662,413 2.902,414 1.474,415 4.336,416 2.418,417 1.433,418 2.076,420 4.031,421 1.409,422 2.583,423 1.432,424 4.082,425 2.115,426 1.155,427 1.616,428 3.168,429 1.092,430 2.568,431 1.21,432 4.017,433 2.053,434 1.076,435 1.5,436 2.962,437 1.048,438 2.5,439 1,440 3.414,441 1.959,442 1,443 1.486,445 2.275,446 0.956,447 2.356,448 0.966,449 3.414,450 1.79,451 0.822,452 1.226,454 1.955,455 0.792,456 1.735,457 0.761,458 3.038,459 1.18,460 0.19,461 0.267,463 0.458,464 0.183,465 15.076,466 0.457,467 1.125,468 0.034,469 47.75,470 1.447,471 26,472 0.788,473 21.75,474 0.659,475 24.724,476 0.749,477 34.124,478 0.726,479 43.289,480 1.312,481 9.725,482 0.295,483 5.994,484 0.182,485 0.124,486 0.033,487 0.391,490 3,491 1,493 0.574,494 0.854,495 0.558,496 0.851,497 0.601,498 0.752,499 0.45,500 0.755,501 0.598,502 0.883,503 0.424,504 0.853,505 0.739,506 0.924,507 0.825,508 1.003,509 0.667,510 0.973,511 0.812,512 0.795,513 1.002,514 0.943,515 0.771,516 1.017,517 0.611,518 0.618,519 0.843,520 0.89,521 0.695,522 0.967,523 0.779,524 0.867,525 0.906,526 1.047,527 0.83,528 1.061,529 0.743,530 1.015,531 0.833,532 1.051,533 0.711,534 1.021,535 1.18,536 1.341,537 1.005,538 1.237,539 1.129,540 1.113,541 8,542 0.297,543 4.889,544 2.75,545 2.356,546 1.625,547 1.238,548 0.866,549 0.599,550 0.361,551 13823,552 52178,553 2.087,554 29.8,556 10,558 2,559 2,564 1.759,565 1.913,566 3.378,567 0.222,573 81.724,574 1.739,575 3.714,576 4.73,577 5.326,578 5.411,579 5.411,580 2.87,581 4.378,582 5.015,583 3.548,584 1873.51,585 8.824,586 26364.7,588 1,591 261.066,592 1.656,593 4.952,594 0.216,595 0.012,596 0.087,597 0.045,598 0.04,599 0.029,600 0.022,601 0.015,602 0.013,603 0.01,604 0.49,605 0.33,606 0.88,607 0.753,608 170.892,609 -0.048,610 -0.031,611 0.005,612 0.032,613 -0.1,614 0.05,615 0.313,616 0.199,617 0.09,618 0.033,619 0.312,620 -0.031,621 -0.083,622 -0.115,623 -0.054,624 -0.092,625 -0.035,626 -0.064,627 0.093,628 0.152,629 -0.086,630 0.019,631 0.122,632 -0.066,633 0.068,634 0.125,635 0.068,636 0.072,637 -0.014,638 0.065,639 -0.05,640 -0.091,641 -0.02,642 -0.082,643 -0.075,644 -0.057,645 0.174,646 -0.11,647 0.118,648 -0.088,649 0.22,650 -0.049,651 -0.135,652 -0.319,653 0.04,654 -0.23,655 -0.088,656 -0.091,657 6.159,658 5.886,659 0.788,660 30.11,661 1.042,662 1.138,663 4.186,664 17.52,665 0.714,666 3.638,667 4.043,668 4.344,669 4.663,670 4.99,671 5.147,672 5.371,673 5.561,674 5.746,675 5.849,676 6.438,677 0.724,678 450.42,679 3.638,680 5.231,681 6.111,682 7.033,683 7.934,684 8.859,685 9.769,686 10.696,687 11.612,688 12.54,689 8.5,693 1,696 1,699 2,703 2,704 10,705 2,709 8,711 23,722 1,730 1,731 47,733 25,734 2,735 37,737 51,738 24,739 20,740 6,741 6,742 3,746 5,747 8,752 1,757 1,761 23,762 1,766 2,771 1,773 2,775 1,778 1,779 4,781 14,782 9,783 2,784 9,790 4,794 0.6,795 1,805 2,812 5,816 2,827 1,831 2,840 3,846 4,848 33,849 1,859 1,860 1,869 4,870 2.1,873 1,877 17.25,878 8.671,879 6.889,880 2.637,881 4.72,882 1.545,883 1.063,884 4.827,885 13.375,886 3.942,887 4.62,888 5.265,889 5.909,890 6.579,891 6.997,892 7.529,893 8.046,894 8.568,895 8.954,896 1,897 61,898 13.064,900 6.649,901 8.366,902 22.054,904 18.618,905 2.866,906 94.583,909 1,910 141.253,911 159.743,912 69.593,914 25.145,915 59.84,917 159.743,918 166.398,919 129.433,921 3.124,922 127.66,923 86.963,924 95.069,925 17.288,926 117.711,927 7.76,928 141.253,929 229.336,930 84.985,933 156.213,934 70.025,937 31.123,938 145.69,939 52.524,941 201.094,942 94.737,943 159.743,946 149.013,947 39.126,948 115.982,950 151.454,951 141.253,952 154.578,953 159.743,955 0.606,956 0.351,957 0.19,958 0.111,959 30,960 14,961 0.039,962 2,963 2,964 1.154,965 4.127,966 337.108,967 0.154,968 26,969 159.71,974 20.964,975 7.598,976 3.679,977 1.074,978 154.578,979 14.387,980 8.486,984 -0.204,986 32.897,987 455.574,988 50.5,993 12.859,995 2.784,997 -0.561,999 48.971,1000 53.468,1001 0.313,1002 0.669,1003 0.852,1004 0.959,1005 0.974,1006 0.974,1007 5.219,1008 1.914,1009 6.159,1010 6.076,1011 4.727,1012 5.308,1013 3.166,1014 7.062,1015 4.635,1016 6.481,1017 1.736,1018 7.783,1019 5.485,1020 4.575,1021 5.255,1022 3.911,1023 8.26,1024 4.357,1025 7.829,1026 1.433,1027 9.513,1028 5.081,1029 6.45,1030 7.589,1031 5.436,1032 11.345,1033 6.253,1034 9.21,1035 1.155,1036 11.305,1037 4.031,1038 7.066,1039 8.3,1040 6.691,1041 13.339,1042 6.74,1043 10.62,1044 1.076,1045 13.138,1046 3.168,1047 8.489,1048 10.151,1049 8.059,1050 16.016,1051 8.162,1052 12.052,1053 1,1054 15,1055 2.962,1056 9.435,1057 11.237,1058 9.389,1059 18.32,1060 8.998,1061 13.5,1062 0.822,1063 16.883,1064 2.275,1065 10.702,1066 12.882,1067 10.734,1068 20.871,1069 10.237,1070 3.402,1071 0.19,1072 18.782,1073 1.955,1074 11.793,1075 14.166,1076 12.074,1077 23.295,1078 11.236,1079 3.305,1080 12.358,1081 20.694,1082 0.458,1083 13.009,1084 15.721,1085 13.417,1086 25.809,1087 12.406,1088 2.908,1089 12.094,1090 22.616,1091 4.578,1092 14.162,1093 17.109,1094 14.758,1095 28.28,1096 13.482,1097 2.682,1098 9.561,1099 24.547,1100 4.067,1101 15.364,1102 18.626,1103 16.1,1104 30.784,1105 14.63,1106 2.394,1107 8.79,1108 26.484,1109 3.82,1110 16.546,1111 20.069,1112 17.441,1113 33.274,1114 15.742,1115 2.275,1116 7.368,1117 28.427,1118 3.523,1119 17.747,1120 21.573,1121 18.783,1122 35.776,1123 16.885,1124 2.163,1125 6.73,1126 30.374,1127 3.151,1128 18.942,1129 23.045,1130 20.124,1131 38.274,1132 18.016,1133 13104,1134 25704,1135 24.274,1136 33.557,1137 58.316,1138 58.617,1139 59.048,1140 57.229,1141 56.914,1142 76.291,1143 10.636,1144 176.786,1145 54.171,1146 5.532,1147 6.475,1148 6.66,1149 5.372,1150 5.402,1151 7.578,1152 5.335,1153 19.876,1154 5.238,1155 18.618,1156 1.576,1157 1.584,1158 1.596,1159 1.547,1160 1.538,1161 2.062,1162 0.287,1163 4.778,1164 1.464,1165 4.14,1166 4.165,1167 4.114,1168 4.069,1169 8.513,1170 4.076,1171 3.938,1172 3.964,1173 3.912,1174 3.851,1175 8.2,1176 3.859,1177 3.849,1178 3.886,1179 3.808,1180 3.747,1181 7.999,1182 3.756,1183 3.641,1184 3.671,1185 3.594,1186 3.533,1187 7.999,1188 3.539,1189 3.328,1190 3.373,1191 3.334,1192 3.118,1193 7.429,1194 3.142,1195 3.262,1196 3.306,1197 3.215,1198 3.023,1199 5.178,1200 3.069,1201 3.028,1202 3.099,1203 2.964,1204 2.88,1205 4.981,1206 2.883,1207 3.003,1208 3.064,1209 2.901,1210 2.835,1211 4.606,1212 2.85,1213 0.127,1214 0.121,1215 0.196,1216 0.117,1217 0.092,1218 4.7,1219 0.124,1220 4.475,1221 0.103,1222 7.246,1223 0.334,1224 4.328,1225 0.088,1226 3.402,1227 4.578,1228 3.825,1229 12.358,1230 3.238,1231 2.085,1232 2.065,1233 2.14,1234 2.169,1235 1.295,1236 2.161,1237 1.899,1238 1.876,1239 1.974,1240 2.008,1241 1.095,1242 1.997,1243 1.807,1244 1.777,1245 1.895,1246 1.933,1247 0.97,1248 1.922,1249 1.606,1250 1.576,1251 1.728,1252 1.741,1253 0.78,1254 1.734,1255 1.211,1256 1.174,1257 1.355,1258 1.447,1259 0.378,1260 1.399,1261 1.104,1262 1.069,1263 1.225,1264 1.398,1265 0.278,1266 1.336,1267 0.988,1268 0.938,1269 1.206,1270 1.239,1271 0.255,1272 1.239,1273 0.956,1274 0.901,1275 1.168,1276 1.156,1277 0.174,1278 1.164,1279 4.317,1281 5.7,1283 7.283,1285 8.957,1287 10.681,1291 53.872,1293 5.658,1300 1.138,1301 -4.909,1305 34.021,1306 81.724,1307 174.536,1308 222.311,1309 250.311,1310 254.311,1311 254.311,1312 79.807,1313 8.655,1314 73.8,1315 73.8,1316 30,1317 13.045,1318 4.7,1319 3.858,1320 47.488,1321 123,1322 156,1323 0.185,1324 201.93,1325 361.11,1326 484.468,1327 73476,1328 8.5,1329 23.328,1330 0.707,1331 0.508,1332 19.957,1333 16.767,1334 15.719,1335 0.425,1336 0.264,1337 9.578,1338 14.983,1339 9.467,1340 7.743,1341 14.097,1342 9.758,1343 15.587,1344 0.278,1345 0.133,1346 13.096,1347 7.435,1348 12.75,1349 0.168,1350 0.07,1351 11.378,1352 5.351,1353 10.963,1354 0.104,1355 0.036,1356 9.882,1357 3.793,1358 9.568,1359 0.066,1360 0.019,1361 8.845,1362 2.771,1363 0.283,1364 99.706,1365 0.203,1366 29.863,1367 0.537,1368 186,1369 792.428,1370 216.667,1371 665.977,1372 878.54,1373 616,1374 225,1375 628.97,1376 249.122,1377 614.18,1378 926.37,1379 578,1380 6.602}
{0 CHEMBL1765606,1 1.79,2 10.879,3 3.883,4 15.079,5 114.806,6 9.813,7 0.622,8 3.994,9 4.089,10 3.772,11 3.573,12 5.333,13 3.616,14 4.501,15 4.616,16 4.25,17 3.969,18 6.257,19 4.012,20 4.709,21 4.847,22 4.309,23 4.126,24 6.108,25 4.157,26 4.833,27 4.994,28 4.342,29 4.136,30 6.493,31 4.159,32 4.797,33 4.97,34 4.257,35 4.145,36 6.16,37 4.142,38 4.759,39 4.911,40 4.245,41 4.108,42 6.156,43 4.12,44 4.781,45 4.942,46 4.322,47 4.024,48 6.525,49 4.065,50 4.699,51 4.88,52 4.162,53 3.846,54 6.253,55 3.905,56 0.273,57 1.019,58 4.016,59 3.699,60 46.506,61 3.209,62 0.957,63 1.974,64 8.96,65 6.325,66 153.468,67 5.557,68 0.722,69 1.945,70 12.156,71 7.912,72 100.912,73 7.234,74 1.423,75 2.432,76 17.747,77 9.309,78 226.798,79 8.216,80 1.005,81 1.894,82 18.75,83 9.294,84 129.225,85 9.852,86 0.892,87 1.886,88 15.785,89 9.123,90 145.067,91 8.933,92 1.257,93 2.038,94 17.072,95 8.961,96 217.883,97 8.749,98 0.97,99 2.042,100 17.559,101 8.772,102 141.529,103 8.565,104 38,105 56,106 0.299,107 0.637,108 0.792,109 0.866,110 0.876,111 0.876,112 3.533,113 0.78,114 -4.85,115 -4.75,116 -4.46,119 50,132 1,135 2,142 6,143 5,144 3,145 3,146 1,150 1,158 1,163 1,164 1,165 1,172 9,174 2,175 11,177 2,178 2,183 10,187 10,195 8,198 1,199 12,204 1,207 10,209 1,212 10,217 1,220 15,222 1,223 1,224 4,229 2,232 12,234 2,236 4,237 6,242 2,245 10,247 2,250 2,258 4,262 2,263 6,265 2,266 2,268 1,273 1,275 1917,276 21.781,277 21.781,278 21.781,279 21.781,280 21.781,281 18.884,282 19.192,283 12.284,284 22.362,285 18.242,286 18.242,287 18.242,288 18.242,289 18.242,290 13.737,291 24.952,292 5.822,293 19.289,294 3.734,295 1.708,296 0.778,297 0.337,298 0.277,299 0.277,300 4.236,304 1,305 1,306 781,307 3.464,311 375.428,315 221.625,318 1.647,319 65.15,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 75.5,331 359,332 4.7,333 4.475,334 7.246,335 4.328,336 3.402,337 4.578,338 3.825,339 12.358,340 3.238,341 4.54,342 3.749,343 7.076,344 4.221,345 3.305,346 4.067,347 1.2,348 12.094,349 2.985,350 4.248,351 3.134,352 6.32,353 3.886,354 2.908,355 3.82,356 0.293,357 9.561,358 2.835,359 4.052,360 2.978,361 6.082,362 3.645,363 2.682,364 3.523,366 8.79,367 2.577,368 3.761,369 2.828,370 5.634,371 3.335,372 2.394,373 3.151,375 7.368,376 2.26,377 3.64,378 2.561,379 5.426,380 3.198,381 2.275,382 3.009,384 6.73,385 2.09,386 3.512,387 2.396,388 5.04,389 3.113,390 2.163,391 2.767,393 6.076,394 2.031,395 3.353,396 2.242,397 4.991,398 2.905,399 1.914,400 2.606,402 5.485,403 1.838,404 3.182,405 1.806,406 4.812,407 2.699,408 1.736,409 2.454,411 5.081,412 1.662,413 2.902,414 1.474,415 4.336,416 2.412,417 1.433,418 2.076,420 4.031,421 1.4,422 2.583,423 1.432,424 4.082,425 2.115,426 1.155,427 1.616,428 3.168,429 1.092,430 2.568,431 1.21,432 4.017,433 2.053,434 1.076,435 1.5,436 2.962,437 1.048,438 2.5,439 1,440 3.414,441 1.917,442 1,443 1.486,445 2.275,446 0.916,447 2.356,448 0.966,449 3.414,450 1.789,451 0.822,452 1.226,454 1.955,455 0.792,456 1.735,457 0.761,458 3.038,459 1.179,460 0.19,461 0.267,463 0.458,464 0.183,465 14.976,466 0.454,467 1.125,468 0.034,469 48.25,470 1.462,471 26,472 0.788,473 22.25,474 0.674,475 24.427,476 0.74,477 34.224,478 0.744,479 43.586,480 1.321,481 9.803,482 0.297,483 5.916,484 0.179,485 0.125,486 0.033,487 0.394,490 3,491 1,493 0.594,494 0.897,495 0.546,496 0.876,497 0.609,498 0.756,499 0.454,500 0.714,501 0.588,502 0.841,503 0.427,504 0.821,505 0.759,506 0.947,507 0.823,508 1.019,509 0.678,510 0.979,511 0.839,512 0.813,513 1.031,514 0.959,515 0.791,516 1.04,517 0.64,518 0.623,519 0.862,520 0.879,521 0.71,522 0.964,523 0.808,524 0.887,525 0.931,526 1.069,527 0.853,528 1.086,529 0.74,530 0.994,531 0.839,532 1.058,533 0.722,534 1.039,535 1.189,536 1.402,537 0.99,538 1.306,539 1.146,540 1.153,541 8,542 0.297,543 4.889,544 2.75,545 2.356,546 1.625,547 1.238,548 0.866,549 0.599,550 0.361,551 13823,552 54174,553 2.087,554 28.3,556 8,558 3,559 2,564 1.759,565 1.913,566 3.378,567 0.252,569 1,573 82.327,574 1.79,575 3.815,576 4.746,577 5.186,578 5.246,579 5.246,580 2.87,581 4.378,582 5.015,583 3.548,584 1873.51,585 8.824,586 26364.7,588 1,591 254.084,592 1.656,593 4.952,594 0.216,595 0.012,596 0.087,597 0.045,598 0.04,599 0.029,600 0.022,601 0.015,602 0.013,603 0.01,604 0.49,605 0.33,606 0.88,607 0.753,608 170.892,609 -0.058,610 -0.063,611 0.004,612 0.009,613 -0.102,614 0.039,615 0.317,616 0.249,617 0.093,618 0.075,619 0.314,620 -0.007,621 -0.095,622 -0.126,623 -0.065,624 -0.1,625 -0.038,626 -0.072,627 0.071,628 0.141,629 -0.124,630 0.009,631 0.111,632 -0.09,633 0.052,634 0.125,635 0.062,636 0.088,637 -0.021,638 0.081,639 -0.067,640 -0.1,641 -0.05,642 -0.099,643 -0.09,644 -0.082,645 0.181,646 -0.089,647 0.12,648 -0.088,649 0.215,650 -0.057,651 -0.139,652 -0.385,653 0.08,654 -0.287,655 -0.096,656 -0.107,657 6.166,658 5.88,659 0.788,660 30.11,661 1.048,662 1.142,663 3.615,664 13.071,665 0.713,666 3.638,667 4.043,668 4.344,669 4.663,670 4.99,671 5.147,672 5.371,673 5.561,674 5.746,675 5.849,676 6.438,677 0.729,678 451.41,679 3.638,680 5.231,681 6.111,682 7.033,683 7.934,684 8.859,685 9.769,686 10.696,687 11.612,688 12.54,689 10.9,693 1,696 1,699 3,703 2,704 9,705 3,709 8,711 23,722 1,730 1,731 46,733 25,734 2,735 37,737 50,738 23,739 19,740 6,741 6,742 3,746 5,747 8,752 1,757 1,761 22,762 1,766 2,771 1,773 2,775 1,778 1,779 4,781 13,782 10,783 2,784 10,790 5,794 0.6,795 1,805 1,806 1,812 5,816 2,827 1,831 2,840 3,846 4,848 33,849 1,859 1,860 1,869 4,870 2.2,873 1,877 17.25,878 8.538,879 6.889,880 2.56,881 4.72,882 1.545,883 1.061,884 4.79,885 13.375,886 3.942,887 4.62,888 5.265,889 5.909,890 6.579,891 6.997,892 7.529,893 8.046,894 8.568,895 8.954,896 1,897 61,898 13.06,900 6.653,901 8.396,902 21.925,904 18.425,905 2.896,906 95.583,909 1,910 129.482,911 149.409,912 86.378,914 25.145,915 59.84,917 149.409,918 154.627,919 146.219,921 3.124,922 108.707,923 115.519,924 104.117,925 16.859,926 94.169,927 7.76,928 129.482,929 235.788,930 84.985,933 144.442,934 70.025,937 42.069,938 124.409,939 69.309,941 189.323,942 111.523,943 149.409,946 137.242,947 38.698,948 106.077,950 168.239,951 129.482,952 171.363,953 149.409,955 0.606,956 0.351,957 0.19,958 0.111,959 30,960 14,961 0.04,962 2,963 2,964 1.154,965 4.127,966 337.108,967 0.154,968 26,969 157.71,974 20.902,975 7.563,976 3.659,977 1.025,978 171.363,979 12.279,980 12.331,984 -0.691,986 32.897,987 450.255,988 50.5,993 12.849,995 2.762,997 -0.573,999 48.189,1000 52.551,1001 0.324,1002 0.691,1003 0.859,1004 0.939,1005 0.95,1006 0.95,1007 5.219,1008 1.914,1009 6.159,1010 6.076,1011 4.727,1012 5.308,1013 3.166,1014 7.062,1015 4.626,1016 6.481,1017 1.736,1018 7.783,1019 5.485,1020 4.575,1021 5.255,1022 3.911,1023 8.26,1024 4.35,1025 7.829,1026 1.433,1027 9.513,1028 5.081,1029 6.45,1030 7.589,1031 5.436,1032 11.345,1033 6.24,1034 9.21,1035 1.155,1036 11.305,1037 4.031,1038 7.066,1039 8.3,1040 6.691,1041 13.339,1042 6.732,1043 10.62,1044 1.076,1045 13.138,1046 3.168,1047 8.489,1048 10.151,1049 8.059,1050 16.016,1051 8.148,1052 12.052,1053 1,1054 15,1055 2.962,1056 9.435,1057 11.237,1058 9.389,1059 18.32,1060 8.988,1061 13.5,1062 0.822,1063 16.883,1064 2.275,1065 10.702,1066 12.882,1067 10.734,1068 20.871,1069 10.224,1070 3.402,1071 0.19,1072 18.782,1073 1.955,1074 11.793,1075 14.166,1076 12.074,1077 23.295,1078 11.227,1079 3.305,1080 12.358,1081 20.694,1082 0.458,1083 13.009,1084 15.721,1085 13.417,1086 25.809,1087 12.396,1088 2.908,1089 12.094,1090 22.616,1091 4.578,1092 14.162,1093 17.109,1094 14.758,1095 28.28,1096 13.474,1097 2.682,1098 9.561,1099 24.547,1100 4.067,1101 15.364,1102 18.626,1103 16.1,1104 30.784,1105 14.621,1106 2.394,1107 8.79,1108 26.484,1109 3.82,1110 16.546,1111 20.069,1112 17.441,1113 33.274,1114 15.734,1115 2.275,1116 7.368,1117 28.427,1118 3.523,1119 17.747,1120 21.573,1121 18.783,1122 35.776,1123 16.877,1124 2.163,1125 6.73,1126 30.374,1127 3.151,1128 18.942,1129 23.045,1130 20.124,1131 38.274,1132 18.008,1133 13104,1134 26164,1135 24.274,1136 32.801,1137 58.316,1138 58.617,1139 59.048,1140 57.217,1141 56.914,1142 76.291,1143 10.636,1144 176.786,1145 53.889,1146 5.532,1147 6.475,1148 6.66,1149 5.397,1150 5.402,1151 7.578,1152 5.335,1153 19.876,1154 5.238,1155 18.618,1156 1.576,1157 1.584,1158 1.596,1159 1.546,1160 1.538,1161 2.062,1162 0.287,1163 4.778,1164 1.456,1165 4.138,1166 4.163,1167 4.113,1168 4.065,1169 8.513,1170 4.073,1171 3.935,1172 3.961,1173 3.911,1174 3.846,1175 8.2,1176 3.855,1177 3.825,1178 3.871,1179 3.793,1180 3.695,1181 7.999,1182 3.711,1183 3.632,1184 3.666,1185 3.588,1186 3.495,1187 7.999,1188 3.511,1189 3.327,1190 3.373,1191 3.333,1192 3.097,1193 7.429,1194 3.128,1195 3.257,1196 3.303,1197 3.211,1198 3.021,1199 5.237,1200 3.066,1201 3.026,1202 3.098,1203 2.963,1204 2.877,1205 4.981,1206 2.883,1207 3.002,1208 3.064,1209 2.899,1210 2.811,1211 4.628,1212 2.831,1213 0.127,1214 0.121,1215 0.196,1216 0.117,1217 0.092,1218 4.7,1219 0.124,1220 4.475,1221 0.103,1222 7.246,1223 0.334,1224 4.328,1225 0.088,1226 3.402,1227 4.578,1228 3.825,1229 12.358,1230 3.238,1231 2.082,1232 2.062,1233 2.135,1234 2.168,1235 1.292,1236 2.159,1237 1.893,1238 1.871,1239 1.965,1240 2.005,1241 1.09,1242 1.99,1243 1.762,1244 1.729,1245 1.843,1246 1.921,1247 0.917,1248 1.897,1249 1.578,1250 1.54,1251 1.693,1252 1.736,1253 0.692,1254 1.724,1255 1.197,1256 1.156,1257 1.343,1258 1.446,1259 0.349,1260 1.395,1261 1.104,1262 1.067,1263 1.223,1264 1.396,1265 0.274,1266 1.336,1267 0.986,1268 0.935,1269 1.206,1270 1.239,1271 0.237,1272 1.239,1273 0.945,1274 0.88,1275 1.168,1276 1.156,1277 0.126,1278 1.164,1279 4.317,1281 5.7,1283 7.283,1285 8.957,1287 10.681,1291 53.848,1293 5.547,1300 1.122,1301 -4.916,1305 33.516,1306 82.327,1307 175.501,1308 218.309,1309 238.574,1310 241.329,1311 241.329,1312 79.408,1313 8.655,1314 86.69,1315 86.69,1316 30,1317 13.045,1318 4.7,1319 3.858,1320 47.488,1321 123,1322 156,1323 0.185,1324 199.132,1325 354.81,1326 477.641,1327 73476,1328 8.7,1329 23.328,1330 0.707,1331 0.504,1332 19.957,1333 16.637,1334 15.719,1335 0.425,1336 0.26,1337 9.422,1338 14.915,1339 9.326,1340 7.622,1341 14.097,1342 9.618,1343 15.587,1344 0.278,1345 0.13,1346 13.096,1347 7.293,1348 12.75,1349 0.168,1350 0.069,1351 11.378,1352 5.236,1353 10.963,1354 0.104,1355 0.035,1356 9.882,1357 3.704,1358 9.568,1359 0.066,1360 0.018,1361 8.845,1362 2.699,1363 0.283,1364 100.161,1365 0.203,1366 29.863,1367 0.537,1368 186,1369 812.073,1370 218.498,1371 683.207,1372 900.94,1373 632,1374 225,1375 645.434,1376 250.787,1377 629.652,1378 949.07,1379 592,1380 6.301}
{0 CHEMBL1765607,1 1.706,2 11.029,3 5.531,4 30.595,5 123.511,6 9.682,7 0.675,8 4.06,9 4.149,10 3.837,11 3.681,12 5.353,13 3.709,14 4.579,15 4.685,16 4.316,17 4.094,18 6.265,19 4.124,20 4.795,21 4.933,22 4.364,23 4.239,24 6.137,25 4.251,26 4.918,27 5.084,28 4.394,29 4.243,30 6.517,31 4.249,32 4.852,33 5.018,34 4.297,35 4.242,36 6.178,37 4.222,38 4.847,39 5.004,40 4.301,41 4.223,42 6.19,43 4.215,44 4.868,45 5.034,46 4.37,47 4.142,48 6.536,49 4.165,50 4.766,51 4.941,52 4.232,53 3.994,54 6.269,55 4.032,56 0.233,57 1.013,58 4.416,59 4.022,60 35.242,61 3.671,62 0.903,63 2.034,64 9.463,65 6.848,66 144.857,67 6.047,68 0.64,69 1.998,70 13.866,71 8.971,72 85.576,73 8.677,74 1.382,75 2.559,76 20.64,77 10.474,78 214.409,79 9.768,80 0.903,81 1.97,82 19.463,83 10.266,84 108.101,85 11.119,86 0.812,87 1.966,88 18.34,89 10.371,90 130.082,91 10.753,92 1.207,93 2.138,94 19.957,95 9.987,96 206.948,97 10.016,98 0.866,99 2.133,100 18.383,101 9.446,102 117.264,103 9.084,104 27,105 61,106 0.279,107 0.604,108 0.773,109 0.882,110 0.902,111 0.902,112 3.589,113 0.791,114 -5.75,115 -5.61,116 -5.23,119 53.1,132 1,135 2,142 9,143 6,144 3,145 2,146 1,152 1,158 1,168 1,172 13,174 1,175 10,180 2,183 16,187 10,192 2,195 16,198 1,199 10,204 1,207 18,212 7,217 1,220 19,223 1,224 10,229 2,232 14,237 10,242 2,245 14,250 2,258 12,262 2,263 3,266 2,268 1,271 10,275 2224,276 23.436,277 23.436,278 23.436,279 23.436,280 23.436,281 20.177,282 16.03,283 13.194,284 23.924,285 19.747,286 19.747,287 19.747,288 19.747,289 19.747,290 14.643,291 22.452,292 6.246,293 20.642,294 3.908,295 1.921,296 0.883,297 0.219,298 0.097,299 0.097,300 4.305,304 1,305 1,306 861,307 3.536,310 74.169,311 375.451,314 125.005,315 230.793,318 1.691,319 61.949,322 0.75,323 0.5,324 1,325 0.4,327 1,328 1,329 0.66,330 79,331 386,332 4.701,333 4.475,334 7.246,335 4.329,336 3.402,337 4.583,338 3.825,339 12.358,340 3.24,341 4.542,342 3.749,343 7.076,344 4.222,345 3.306,346 4.374,347 1.2,348 12.094,349 3.001,350 4.449,351 3.14,352 6.348,353 3.993,354 3.006,355 4.065,356 0.293,357 9.716,358 2.944,359 4.171,360 2.988,361 6.227,362 3.773,363 2.803,364 3.658,366 9.264,367 2.712,368 3.932,369 2.962,370 5.97,371 3.542,372 2.565,373 3.384,375 8.442,376 2.499,377 3.721,378 2.671,379 5.629,380 3.302,381 2.359,382 3.076,384 7.348,385 2.234,386 3.524,387 2.506,388 5.426,389 3.135,390 2.18,391 2.775,393 6.728,394 2.051,395 3.353,396 2.266,397 4.991,398 2.906,399 1.915,400 2.608,402 5.485,403 1.838,404 3.189,405 1.807,406 4.814,407 2.701,408 1.739,409 2.471,411 5.09,412 1.663,413 3.035,414 1.535,415 4.468,416 2.519,417 1.535,418 2.302,420 4.393,421 1.51,422 2.994,423 1.514,424 4.302,425 2.49,426 1.503,427 2.223,428 4.028,429 1.481,430 2.583,431 1.439,432 4.085,433 2.116,434 1.155,435 1.616,436 3.169,437 1.092,438 2.578,439 1.211,440 4.018,441 2.055,442 1.08,443 1.58,445 2.967,446 1.049,447 2.545,448 1.064,449 3.441,450 2.027,451 1.056,452 1.486,454 2.388,455 1.022,456 2.353,457 0.957,458 3.41,459 1.786,460 0.818,461 1.223,463 1.948,464 0.788,465 16.076,466 0.459,467 1.138,468 0.033,469 50.5,470 1.443,471 27.5,472 0.786,473 23,474 0.657,475 27.032,476 0.772,477 35.524,478 0.725,479 45.593,480 1.303,481 10.256,482 0.293,483 6.536,484 0.187,485 0.092,486 0.031,487 0.398,490 3,491 1,493 0.533,494 0.802,495 0.532,496 0.827,497 0.55,498 0.741,499 0.464,500 0.759,501 0.627,502 0.873,503 0.421,504 0.855,505 0.705,506 0.912,507 0.837,508 1.033,509 0.638,510 1.019,511 0.801,512 0.769,513 1.019,514 0.924,515 0.751,516 1.016,517 0.598,518 0.614,519 0.875,520 0.919,521 0.697,522 1.013,523 0.75,524 0.846,525 0.915,526 1.05,527 0.809,528 1.08,529 0.75,530 1,531 0.856,532 1.02,533 0.683,534 1.005,535 1.181,536 1.299,537 1.016,538 1.19,539 1.122,540 1.085,541 8,542 0.29,543 5.111,544 2.882,545 2.502,546 1.601,547 1.206,548 0.878,549 0.602,550 0.4,551 17291,552 62045,553 2.148,554 28.6,556 11,558 2,559 1,564 1.773,565 1.991,566 3.432,567 -0.345,573 83.606,574 1.706,575 3.693,576 4.731,577 5.395,578 5.518,579 5.518,580 2.875,581 4.672,582 5.101,583 3.62,584 2154.09,585 8.99,586 31707.1,591 275.121,592 1.595,593 5.049,594 0.2,595 0.009,596 0.084,597 0.044,598 0.04,599 0.027,600 0.02,601 0.015,602 0.012,603 0.01,604 0.459,605 0.33,606 0.63,607 0.694,608 185.032,609 -0.013,610 0.001,611 0.02,612 0.027,613 -0.072,614 0.037,615 0.283,616 0.175,617 0.043,618 0.016,619 0.298,620 -0.057,621 -0.061,622 -0.121,623 -0.056,624 -0.123,625 -0.018,626 -0.1,627 0.095,628 0.162,629 -0.08,630 0.038,631 0.135,632 -0.046,633 0.077,634 0.123,635 0.044,636 0.047,637 -0.014,638 0.028,639 -0.033,640 -0.088,641 -0.005,642 -0.082,643 -0.065,644 -0.056,645 0.152,646 -0.116,647 0.129,648 -0.051,649 0.231,650 -0.002,651 -0.14,652 -0.273,653 0.018,654 -0.185,655 -0.081,656 -0.072,657 6.156,658 5.953,659 0.829,660 32.932,661 1.04,662 1.132,663 4.516,664 20.396,665 0.726,666 3.714,667 4.127,668 4.454,669 4.787,670 5.088,671 5.263,672 5.501,673 5.7,674 5.875,675 6.021,676 6.763,677 0.735,678 474.44,679 3.714,680 5.313,681 6.205,682 7.13,683 8.038,684 8.965,685 9.88,686 10.808,687 11.726,688 12.655,689 8.2,696 1,697 1,699 2,703 4,704 11,705 2,706 1,709 7,711 27,730 1,731 49,733 29,734 3,735 40,737 54,738 26,739 22,740 9,741 9,742 3,746 6,747 10,752 1,757 1,761 25,762 1,766 2,771 1,773 2,775 1,779 4,781 14,782 8,783 1,784 9,790 4,794 0.5,795 1,803 1,805 1,811 1,812 5,815 1,816 2,827 1,831 2,840 3,846 4,848 35,859 1,860 1,869 4,870 2,873 1,877 17.583,878 9.171,879 7.25,880 2.846,881 5.645,882 1.616,883 1.093,884 4.688,885 14.817,886 4.034,887 4.738,888 5.421,889 6.089,890 6.727,891 7.185,892 7.737,893 8.272,894 8.767,895 9.232,896 1,897 65,898 13.814,900 7.04,901 8.264,902 23.668,904 20.334,905 2.764,906 96.75,910 153.024,911 171.609,912 53.236,914 25.145,915 59.84,917 171.609,918 178.169,919 113.076,921 3.124,922 104.239,923 86.84,924 114.305,925 17.104,926 129.482,927 7.76,928 153.024,929 224.845,930 84.985,933 167.984,934 70.025,937 47.786,938 124.658,939 52.401,941 212.865,942 78.381,943 171.609,946 160.784,947 41.516,948 125.458,949 16.663,950 118.434,951 153.024,952 138.221,953 171.609,955 0.607,956 0.359,957 0.198,958 0.109,959 34,960 15,961 0.037,962 2,963 3,964 1.207,965 4.349,966 373.282,967 0.207,968 29,969 174.77,974 21.37,975 7.678,976 3.537,977 2.93,978 121.558,979 17.091,980 8.483,981 2.898,984 -0.279,986 16.663,987 462.854,988 55.5,993 12.952,995 2.822,997 -0.546,999 50.971,1000 55.468,1001 0.304,1002 0.658,1003 0.843,1004 0.961,1005 0.983,1006 0.983,1007 5.312,1008 1.915,1009 6.248,1010 6.728,1011 4.812,1012 5.427,1013 3.166,1014 7.157,1015 4.731,1016 6.578,1017 1.739,1018 7.873,1019 5.485,1020 4.635,1021 5.387,1022 3.911,1023 8.34,1024 4.437,1025 7.93,1026 1.535,1027 9.603,1028 5.09,1029 6.538,1030 7.749,1031 5.436,1032 11.434,1033 6.363,1034 9.318,1035 1.503,1036 11.395,1037 4.393,1038 7.148,1039 8.506,1040 6.691,1041 13.412,1042 6.854,1043 10.735,1044 1.155,1045 13.227,1046 4.028,1047 8.578,1048 10.359,1049 8.059,1050 16.084,1051 8.284,1052 12.174,1053 1.08,1054 15.086,1055 3.169,1056 9.522,1057 11.492,1058 9.389,1059 18.374,1060 9.125,1061 13.629,1062 1.056,1063 16.965,1064 2.967,1065 10.788,1066 13.136,1067 10.734,1068 20.917,1069 10.366,1070 3.402,1071 0.818,1072 18.86,1073 2.388,1074 11.875,1075 14.454,1076 12.074,1077 23.332,1078 11.367,1079 3.306,1080 12.358,1081 20.767,1082 1.948,1083 13.088,1084 16.008,1085 13.417,1086 25.839,1087 12.537,1088 3.006,1089 12.094,1090 22.683,1091 4.583,1092 14.237,1093 17.417,1094 14.758,1095 28.304,1096 13.611,1097 2.803,1098 9.716,1099 24.608,1100 4.374,1101 15.434,1102 18.934,1103 16.1,1104 30.803,1105 14.756,1106 2.565,1107 9.264,1108 26.54,1109 4.065,1110 16.611,1111 20.387,1112 17.441,1113 33.289,1114 15.865,1115 2.359,1116 8.442,1117 28.477,1118 3.658,1119 17.807,1120 21.89,1121 18.783,1122 35.788,1123 17.004,1124 2.18,1125 7.348,1126 30.419,1127 3.384,1128 18.997,1129 23.367,1130 20.124,1131 38.283,1132 18.131,1133 15891,1134 30366,1135 26.759,1136 35.557,1137 63.441,1138 63.611,1139 63.424,1140 62.355,1141 62.043,1142 84.599,1143 10.636,1144 193.778,1145 59.41,1146 5.533,1147 6.475,1148 6.755,1149 5.372,1150 5.402,1151 7.583,1152 5.335,1153 19.876,1154 5.24,1155 17.547,1156 1.586,1157 1.59,1158 1.586,1159 1.559,1160 1.551,1161 2.115,1162 0.266,1163 4.844,1164 1.485,1165 4.168,1166 4.196,1167 4.138,1168 4.096,1169 8.513,1170 4.102,1171 4.047,1172 4.084,1173 4.016,1174 3.944,1175 8.2,1176 3.956,1177 3.92,1178 3.945,1179 3.897,1180 3.833,1181 7.999,1182 3.842,1183 3.682,1184 3.709,1185 3.639,1186 3.583,1187 7.999,1188 3.589,1189 3.391,1190 3.439,1191 3.36,1192 3.225,1193 7.429,1194 3.246,1195 3.312,1196 3.358,1197 3.305,1198 3.038,1199 5.104,1200 3.084,1201 3.169,1202 3.218,1203 3.095,1204 3.003,1205 4.973,1206 3.016,1207 3.017,1208 3.069,1209 2.949,1210 2.876,1211 4.589,1212 2.883,1213 0.118,1214 0.112,1215 0.181,1216 0.108,1217 0.085,1218 4.701,1219 0.115,1220 4.475,1221 0.096,1222 7.246,1223 0.309,1224 4.329,1225 0.081,1226 3.402,1227 4.583,1228 3.825,1229 12.358,1230 3.24,1231 2.093,1232 2.074,1233 2.149,1234 2.171,1235 1.31,1236 2.165,1237 1.934,1238 1.913,1239 2.006,1240 2.024,1241 1.151,1242 2.019,1243 1.86,1244 1.839,1245 1.935,1246 1.957,1247 1.064,1248 1.949,1249 1.628,1250 1.603,1251 1.742,1252 1.751,1253 0.832,1254 1.743,1255 1.311,1256 1.23,1257 1.464,1258 1.633,1259 0.417,1260 1.588,1261 1.224,1262 1.193,1263 1.351,1264 1.443,1265 0.402,1266 1.385,1267 1.105,1268 1.07,1269 1.207,1270 1.382,1271 0.289,1272 1.333,1273 0.991,1274 0.945,1275 1.196,1276 1.16,1277 0.266,1278 1.165,1279 4.394,1281 5.784,1282 2.398,1283 7.37,1284 4.595,1285 9.047,1286 6.581,1287 10.774,1291 54.141,1300 1.164,1301 -4.906,1305 36.021,1306 83.606,1307 180.976,1308 231.837,1309 264.366,1310 270.366,1311 270.366,1312 76.562,1313 9.171,1314 63.57,1315 63.57,1316 35,1317 13.159,1318 4.907,1319 4.044,1320 46.785,1321 138,1322 146,1323 0.162,1324 210.794,1325 369.81,1326 506.096,1327 141194,1328 8.2,1329 24.319,1330 0.695,1331 0.508,1332 20.949,1333 17.767,1334 16.792,1335 0.42,1336 0.264,1337 10.361,1338 16.023,1339 10.243,1340 8.363,1341 15.17,1342 10.547,1343 16.591,1344 0.272,1345 0.133,1346 14.1,1347 8.135,1348 14.02,1349 0.165,1350 0.071,1351 12.648,1352 6.004,1353 12.373,1354 0.104,1355 0.036,1356 11.292,1357 4.339,1358 10.438,1359 0.065,1360 0.019,1361 9.714,1362 3.103,1363 0.248,1364 106.353,1365 0.193,1366 31.441,1367 0.463,1368 202,1369 825.448,1370 232.972,1371 698.357,1372 930.43,1373 648,1374 247,1375 674.759,1376 272.204,1377 660.077,1378 996.38,1379 622,1380 6.301}
{0 CHEMBL1765608,1 1.706,2 11.029,3 5.09,4 25.906,5 122.378,6 9.682,7 0.675,8 4.059,9 4.147,10 3.836,11 3.677,12 5.349,13 3.707,14 4.581,15 4.689,16 4.318,17 4.09,18 6.27,19 4.121,20 4.797,21 4.939,22 4.367,23 4.225,24 6.144,25 4.241,26 4.898,27 5.062,28 4.392,29 4.228,30 6.512,31 4.239,32 4.847,33 5.013,34 4.299,35 4.232,36 6.181,37 4.216,38 4.834,39 4.988,40 4.3,41 4.213,42 6.185,43 4.209,44 4.861,45 5.023,46 4.372,47 4.143,48 6.537,49 4.164,50 4.772,51 4.949,52 4.235,53 3.986,54 6.273,55 4.025,56 0.227,57 1.013,58 4.388,59 3.992,60 35.412,61 3.613,62 0.912,63 2.038,64 9.523,65 6.83,66 143.922,67 6.042,68 0.652,69 2.001,70 14.312,71 8.9,72 87.875,73 8.647,74 1.373,75 2.536,76 19.958,77 10.106,78 212.189,79 9.181,80 0.904,81 1.97,82 19.094,83 10.04,84 107.662,85 10.718,86 0.806,87 1.952,88 17.799,89 10.097,90 129.09,91 10.292,92 1.198,93 2.133,94 19.283,95 10,96 203.666,97 10.074,98 0.865,99 2.135,100 18.99,101 9.674,102 119.153,103 9.618,104 27,105 61,106 0.279,107 0.612,108 0.795,109 0.888,110 0.902,111 0.902,112 3.589,113 0.791,114 -5.75,115 -5.61,116 -5.23,119 53.1,132 1,135 2,142 8,143 6,144 3,145 2,146 1,151 1,158 1,161 1,172 12,174 1,175 11,178 1,180 2,183 13,187 11,192 1,195 12,198 1,199 10,204 1,207 15,212 8,217 1,220 19,223 1,224 6,229 2,232 15,236 2,237 7,242 2,245 12,250 4,258 9,262 1,263 4,266 2,268 1,271 6,275 2224,276 23.436,277 23.436,278 23.436,279 23.436,280 23.436,281 20.177,282 16.03,283 13.194,284 23.978,285 19.747,286 19.747,287 19.747,288 19.747,289 19.747,290 14.643,291 22.452,292 6.246,293 20.733,294 3.908,295 1.87,296 0.75,297 0.179,298 0.097,299 0.097,300 4.305,304 1,305 1,306 861,307 3.536,310 74.169,311 375.451,314 125.005,315 230.793,318 1.691,319 62.956,322 0.75,323 0.5,324 1,325 0.4,327 1,328 1,329 0.66,330 79,331 386,332 4.701,333 4.475,334 7.246,335 4.329,336 3.402,337 4.583,338 3.825,339 12.358,340 3.239,341 4.542,342 3.749,343 7.076,344 4.222,345 3.306,346 4.374,347 1.2,348 12.094,349 2.994,350 4.449,351 3.14,352 6.348,353 3.984,354 3.006,355 4.065,356 0.293,357 9.716,358 2.925,359 4.171,360 2.988,361 6.227,362 3.769,363 2.803,364 3.658,366 9.264,367 2.699,368 3.932,369 2.962,370 5.97,371 3.539,372 2.565,373 3.384,375 8.442,376 2.492,377 3.721,378 2.671,379 5.629,380 3.302,381 2.359,382 3.076,384 7.348,385 2.233,386 3.524,387 2.506,388 5.426,389 3.135,390 2.18,391 2.775,393 6.728,394 2.051,395 3.353,396 2.266,397 4.991,398 2.906,399 1.915,400 2.608,402 5.485,403 1.838,404 3.189,405 1.807,406 4.814,407 2.701,408 1.739,409 2.471,411 5.09,412 1.663,413 3.035,414 1.535,415 4.468,416 2.487,417 1.535,418 2.302,420 4.393,421 1.472,422 2.994,423 1.514,424 4.302,425 2.478,426 1.503,427 2.223,428 4.028,429 1.447,430 2.583,431 1.439,432 4.085,433 2.116,434 1.155,435 1.616,436 3.169,437 1.092,438 2.578,439 1.211,440 4.018,441 2.054,442 1.08,443 1.58,445 2.967,446 1.049,447 2.545,448 1.064,449 3.441,450 2.019,451 1.056,452 1.486,454 2.388,455 1.014,456 2.353,457 0.957,458 3.41,459 1.785,460 0.818,461 1.223,463 1.948,464 0.788,465 16.076,466 0.459,467 1.138,468 0.033,469 51,470 1.457,471 27.5,472 0.786,473 23.5,474 0.671,475 26.734,476 0.764,477 35.524,478 0.725,479 45.89,480 1.311,481 10.321,482 0.295,483 6.47,484 0.185,485 0.092,486 0.031,487 0.398,490 3,491 1,493 0.556,494 0.859,495 0.534,496 0.855,497 0.554,498 0.751,499 0.457,500 0.742,501 0.626,502 0.864,503 0.419,504 0.852,505 0.715,506 0.932,507 0.823,508 1.029,509 0.642,510 1.001,511 0.828,512 0.77,513 1.021,514 0.898,515 0.77,516 0.986,517 0.617,518 0.626,519 0.888,520 0.918,521 0.707,522 1.012,523 0.771,524 0.848,525 0.921,526 1.036,527 0.827,528 1.064,529 0.723,530 0.981,531 0.85,532 1.039,533 0.682,534 1.03,535 1.151,536 1.326,537 0.973,538 1.223,539 1.106,540 1.096,541 8,542 0.29,543 5.111,544 2.882,545 2.502,546 1.601,547 1.206,548 0.878,549 0.602,550 0.4,551 17291,552 61579,553 2.148,554 28.6,556 10,557 1,558 2,559 1,564 1.773,565 1.991,566 3.432,567 -0.345,573 83.606,574 1.706,575 3.745,576 4.865,577 5.436,578 5.518,579 5.518,580 2.875,581 4.672,582 5.101,583 3.62,584 2154.09,585 8.99,586 31707.1,591 275.121,592 1.595,593 5.049,594 0.2,595 0.009,596 0.084,597 0.044,598 0.04,599 0.027,600 0.02,601 0.015,602 0.012,603 0.01,604 0.459,605 0.33,606 0.63,607 0.694,608 185.032,609 -0.036,610 -0.056,611 0.018,612 -0.002,613 -0.076,614 0.026,615 0.294,616 0.194,617 0.046,618 0.021,619 0.3,620 -0.057,621 -0.065,622 -0.141,623 -0.029,624 -0.123,625 -0.018,626 -0.081,627 0.085,628 0.177,629 -0.095,630 0.057,631 0.131,632 -0.036,633 0.064,634 0.117,635 0.023,636 0.039,637 -0.02,638 0.014,639 -0.045,640 -0.082,641 -0.023,642 -0.074,643 -0.075,644 -0.055,645 0.18,646 -0.091,647 0.124,648 -0.07,649 0.235,650 -0.035,651 -0.116,652 -0.311,653 0.081,654 -0.21,655 -0.068,656 -0.063,657 6.158,658 5.951,659 0.829,660 32.932,661 1.04,662 1.132,663 4.516,664 20.396,665 0.726,666 3.714,667 4.127,668 4.454,669 4.787,670 5.088,671 5.263,672 5.501,673 5.7,674 5.875,675 6.021,676 6.763,677 0.735,678 474.44,679 3.714,680 5.313,681 6.205,682 7.13,683 8.038,684 8.965,685 9.88,686 10.808,687 11.726,688 12.655,689 8.2,696 1,697 1,699 2,703 4,704 11,705 2,706 1,709 7,711 27,730 1,731 49,733 29,734 2,735 40,737 54,738 26,739 22,740 6,741 6,742 3,746 6,747 10,752 1,757 1,761 25,762 1,766 2,771 1,773 2,775 1,779 4,781 14,782 8,783 1,784 9,790 4,794 0.5,795 1,805 2,807 1,811 1,812 5,815 1,816 2,827 1,831 2,840 3,846 4,848 35,859 1,860 1,869 4,870 2,873 1,877 17.583,878 9.171,879 7.25,880 2.846,881 5.645,882 1.616,883 1.095,884 4.688,885 14.817,886 4.034,887 4.738,888 5.421,889 6.089,890 6.727,891 7.185,892 7.737,893 8.272,894 8.767,895 9.232,896 1,897 65,898 13.822,900 7.048,901 8.264,902 23.668,904 20.315,905 2.764,906 96.75,910 153.024,911 170.751,912 53.481,914 25.145,915 59.84,917 170.751,918 178.169,919 113.321,921 3.124,922 103.81,923 88.678,924 114.428,925 26.731,926 117.711,927 7.76,928 153.024,929 224.232,930 84.985,933 167.984,934 70.025,937 49.624,938 122.085,939 52.524,941 212.865,942 78.626,943 170.751,946 160.784,947 41.087,948 125.029,949 16.786,950 118.556,951 153.024,952 138.466,953 170.751,955 0.607,956 0.359,957 0.198,958 0.109,959 34,960 15,961 0.037,962 2,963 3,964 1.207,965 4.349,966 373.282,967 0.207,968 29,969 172.77,974 21.37,975 7.678,976 3.537,977 2.771,978 121.681,979 16.893,980 8.857,981 3.037,984 -0.407,986 16.786,987 462.242,988 55.5,993 12.949,995 2.814,997 -0.55,999 50.971,1000 55.468,1001 0.304,1002 0.667,1003 0.866,1004 0.968,1005 0.983,1006 0.983,1007 5.312,1008 1.915,1009 6.248,1010 6.728,1011 4.812,1012 5.427,1013 3.166,1014 7.157,1015 4.722,1016 6.578,1017 1.739,1018 7.873,1019 5.485,1020 4.635,1021 5.387,1022 3.911,1023 8.34,1024 4.431,1025 7.93,1026 1.535,1027 9.603,1028 5.09,1029 6.538,1030 7.749,1031 5.436,1032 11.434,1033 6.349,1034 9.318,1035 1.503,1036 11.395,1037 4.393,1038 7.148,1039 8.506,1040 6.691,1041 13.412,1042 6.842,1043 10.735,1044 1.155,1045 13.227,1046 4.028,1047 8.578,1048 10.359,1049 8.059,1050 16.084,1051 8.266,1052 12.174,1053 1.08,1054 15.086,1055 3.169,1056 9.522,1057 11.492,1058 9.389,1059 18.374,1060 9.109,1061 13.629,1062 1.056,1063 16.965,1064 2.967,1065 10.788,1066 13.136,1067 10.734,1068 20.917,1069 10.346,1070 3.402,1071 0.818,1072 18.86,1073 2.388,1074 11.875,1075 14.454,1076 12.074,1077 23.332,1078 11.347,1079 3.306,1080 12.358,1081 20.767,1082 1.948,1083 13.088,1084 16.008,1085 13.417,1086 25.839,1087 12.514,1088 3.006,1089 12.094,1090 22.683,1091 4.583,1092 14.237,1093 17.417,1094 14.758,1095 28.304,1096 13.588,1097 2.803,1098 9.716,1099 24.608,1100 4.374,1101 15.434,1102 18.934,1103 16.1,1104 30.803,1105 14.731,1106 2.565,1107 9.264,1108 26.54,1109 4.065,1110 16.611,1111 20.387,1112 17.441,1113 33.289,1114 15.84,1115 2.359,1116 8.442,1117 28.477,1118 3.658,1119 17.807,1120 21.89,1121 18.783,1122 35.788,1123 16.979,1124 2.18,1125 7.348,1126 30.419,1127 3.384,1128 18.997,1129 23.367,1130 20.124,1131 38.283,1132 18.106,1133 15891,1134 30256,1135 26.759,1136 35.557,1137 63.441,1138 63.611,1139 63.424,1140 62.329,1141 62.043,1142 84.599,1143 10.636,1144 193.778,1145 59.129,1146 5.533,1147 6.475,1148 6.755,1149 5.377,1150 5.402,1151 7.583,1152 5.335,1153 19.876,1154 5.239,1155 17.547,1156 1.586,1157 1.59,1158 1.586,1159 1.558,1160 1.551,1161 2.115,1162 0.266,1163 4.844,1164 1.478,1165 4.166,1166 4.196,1167 4.137,1168 4.089,1169 8.513,1170 4.097,1171 4.048,1172 4.085,1173 4.016,1174 3.939,1175 8.2,1176 3.953,1177 3.921,1178 3.946,1179 3.898,1180 3.835,1181 7.999,1182 3.843,1183 3.686,1184 3.712,1185 3.642,1186 3.593,1187 7.999,1188 3.597,1189 3.408,1190 3.452,1191 3.368,1192 3.272,1193 7.429,1194 3.284,1195 3.314,1196 3.359,1197 3.309,1198 3.039,1199 5.084,1200 3.086,1201 3.168,1202 3.215,1203 3.097,1204 3,1205 4.961,1206 3.016,1207 3.016,1208 3.069,1209 2.948,1210 2.874,1211 4.588,1212 2.883,1213 0.118,1214 0.112,1215 0.181,1216 0.108,1217 0.085,1218 4.701,1219 0.115,1220 4.475,1221 0.096,1222 7.246,1223 0.309,1224 4.329,1225 0.081,1226 3.402,1227 4.583,1228 3.825,1229 12.358,1230 3.239,1231 2.088,1232 2.068,1233 2.141,1234 2.17,1235 1.299,1236 2.162,1237 1.909,1238 1.886,1239 1.977,1240 2.017,1241 1.107,1242 2.004,1243 1.836,1244 1.812,1245 1.906,1246 1.949,1247 1.028,1248 1.934,1249 1.62,1250 1.594,1251 1.732,1252 1.752,1253 0.82,1254 1.74,1255 1.464,1256 1.396,1257 1.639,1258 1.685,1259 0.61,1260 1.683,1261 1.223,1262 1.19,1263 1.349,1264 1.443,1265 0.409,1266 1.386,1267 1.105,1268 1.069,1269 1.207,1270 1.383,1271 0.291,1272 1.333,1273 0.991,1274 0.946,1275 1.197,1276 1.16,1277 0.267,1278 1.165,1279 4.394,1281 5.784,1282 2.398,1283 7.37,1284 4.595,1285 9.047,1286 6.581,1287 10.774,1291 54.135,1300 1.158,1301 -4.908,1305 36.021,1306 83.606,1307 183.505,1308 238.366,1309 266.366,1310 270.366,1311 270.366,1312 76.571,1313 9.171,1314 63.57,1315 63.57,1316 35,1317 13.159,1318 4.907,1319 4.044,1320 46.785,1321 138,1322 146,1323 0.162,1324 210.794,1325 369.81,1326 506.096,1327 141194,1328 8.2,1329 24.319,1330 0.695,1331 0.508,1332 20.949,1333 17.767,1334 16.792,1335 0.42,1336 0.264,1337 10.359,1338 16.029,1339 10.244,1340 8.362,1341 15.17,1342 10.547,1343 16.591,1344 0.272,1345 0.133,1346 14.1,1347 8.102,1348 14.02,1349 0.165,1350 0.07,1351 12.648,1352 5.964,1353 12.373,1354 0.104,1355 0.036,1356 11.292,1357 4.315,1358 10.438,1359 0.065,1360 0.019,1361 9.714,1362 3.049,1363 0.248,1364 106.307,1365 0.193,1366 31.441,1367 0.463,1368 202,1369 825.448,1370 233.361,1371 697.951,1372 930.59,1373 648,1374 247,1375 674.096,1376 272.454,1377 659.624,1378 998.1,1379 622,1380 6.125}
{0 CHEMBL1765609,1 1.468,2 11.455,3 5.618,4 31.559,5 126.484,6 8.461,7 0.737,8 4.058,9 4.151,10 3.752,11 3.738,12 5.254,13 3.723,14 4.549,15 4.673,16 4.154,17 4.143,18 5.741,19 4.122,20 4.815,21 4.967,22 4.285,23 4.298,24 6.02,25 4.267,26 4.895,27 5.079,28 4.199,29 4.291,30 6.057,31 4.238,32 4.854,33 5.036,34 4.184,35 4.287,36 5.982,37 4.227,38 4.833,39 5.003,40 4.179,41 4.263,42 6.02,43 4.206,44 4.834,45 5.017,46 4.119,47 4.208,48 6.099,49 4.143,50 4.753,51 4.954,52 3.965,53 4.079,54 5.909,55 4.002,56 0.013,57 0.709,58 7.234,59 4.111,60 6.069,61 4.815,62 0.103,63 1.195,64 13.489,65 6.885,66 14.496,67 8.197,68 0.152,69 1.609,70 19.841,71 9.327,72 30.671,73 10.841,74 0.348,75 1.803,76 24.651,77 10.548,78 56.432,79 12.076,80 0.271,81 1.575,82 23.323,83 10.351,84 37.151,85 12.762,86 0.209,87 1.511,88 22.232,89 10.384,90 43.562,91 12.683,92 0.405,93 1.615,94 23.287,95 10.289,96 76.562,97 12.299,98 0.148,99 1.516,100 22.122,101 10.039,102 36.605,103 12.524,104 10,105 56,106 0.238,107 0.544,108 0.732,109 0.872,110 0.904,111 0.904,112 3.533,113 0.841,114 -5.48,115 -5.36,116 -5.01,119 54.9,120 1,135 2,142 11,143 6,144 3,145 2,146 2,158 1,172 16,174 1,175 12,183 18,187 12,195 17,198 1,199 12,207 19,212 8,220 22,223 1,224 7,232 23,236 2,237 7,245 20,250 5,258 13,262 1,263 8,271 10,275 1868,276 22.67,277 22.67,278 22.67,279 22.67,280 22.67,281 19.192,282 14.001,283 13.001,284 22.898,285 18.753,286 18.753,287 18.753,288 18.753,289 18.753,290 13.429,291 20.021,292 6.166,293 19.16,294 4.204,295 2.317,296 1.153,297 0.289,298 0.093,299 0.093,300 4.256,305 1,306 854,307 2.55,311 420.593,315 338.666,318 1.62,319 30.685,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 70,331 378,332 4.695,333 3.751,334 7.084,335 4.308,336 3.339,337 4.582,338 1.2,339 12.276,340 3.236,341 4.439,342 3.154,343 6.354,344 3.99,345 3.004,346 4.347,347 0.293,348 9.73,349 2.96,350 4.274,351 3.134,352 6.232,353 3.838,354 2.862,355 3.919,357 9.3,358 2.789,359 4.078,360 2.961,361 5.98,362 3.668,363 2.689,364 3.622,366 8.477,367 2.632,368 3.887,369 2.666,370 5.881,371 3.492,372 2.511,373 3.348,375 8.002,376 2.458,377 3.601,378 2.505,379 5.595,380 3.205,381 2.22,382 2.955,384 7.166,385 2.183,386 3.384,387 2.265,388 5.001,389 2.94,390 1.929,391 2.64,393 5.521,394 1.934,395 3.202,396 1.853,397 4.814,398 2.709,399 1.743,400 2.511,402 5.094,403 1.681,404 3.118,405 1.737,406 4.493,407 2.587,408 1.618,409 2.427,411 4.5,412 1.57,413 3.047,414 1.618,415 4.324,416 2.55,417 1.557,418 2.303,420 4.072,421 1.541,422 2.82,423 1.561,424 4.09,425 2.393,426 1.414,427 1.955,428 3.528,429 1.375,430 2.807,431 1.314,432 4.021,433 2.303,434 1.31,435 1.948,436 3.013,437 1.299,438 2.568,439 1.218,440 3.609,441 2.053,442 1.076,443 1.486,445 2.926,446 1.048,447 2.362,448 0.965,449 3.414,450 1.795,451 0.83,452 1.237,454 1.963,455 0.798,456 2.154,457 0.773,458 3.168,459 1.623,460 0.653,461 0.978,463 1.537,464 0.632,465 15.819,466 0.479,467 0.849,468 0.026,469 50.75,470 1.538,471 29.5,472 0.894,473 21.25,474 0.644,475 23.933,476 0.725,477 31.581,478 0.619,479 40.729,480 1.234,481 10.071,482 0.305,483 6.01,484 0.182,485 0.071,487 0.405,491 1,493 0.549,494 0.945,495 0.629,496 0.855,497 0.522,498 0.778,499 0.621,500 0.985,501 0.716,502 0.892,503 0.561,504 0.834,505 0.972,506 1.109,507 0.916,508 1.007,509 0.845,510 0.96,511 1.266,512 0.94,513 1.132,514 0.935,515 1.196,516 0.982,517 0.715,518 0.71,519 0.916,520 0.902,521 0.742,522 0.931,523 0.8,524 0.915,525 0.923,526 1.026,527 0.903,528 1.009,529 0.916,530 0.946,531 1.045,532 1.02,533 0.957,534 1.051,535 0.937,536 1.244,537 1.03,538 1.205,539 0.926,540 1.157,541 6,542 0.206,543 4.444,544 2.063,545 2.471,546 1.354,547 0.891,548 0.661,549 0.422,550 0.294,551 15260,552 41287,553 2.203,554 35.3,555 3,556 13,558 2,564 1.757,565 2.084,566 3.471,567 -0.841,573 74.874,574 1.468,575 3.355,576 4.519,577 5.383,578 5.579,579 5.579,580 2.904,581 4.863,582 5.016,583 3.6,584 1900.76,585 8.813,586 26843.9,591 289.294,592 1.337,593 4.987,594 0.158,595 0.007,596 0.079,597 0.033,598 0.044,599 0.024,600 0.016,601 0.013,602 0.01,603 0.008,604 0.394,605 0.5,606 0.75,607 0.467,608 171.548,609 -0.005,610 -0.075,611 0.052,612 -0.009,613 -0.052,614 0.02,615 0.048,616 -0.075,617 0.048,618 -0.02,619 0.015,620 0.004,621 -0.075,622 -0.132,623 -0.053,624 -0.099,625 -0.016,626 -0.077,627 -0.169,628 0.115,629 -0.172,630 0.017,631 -0.149,632 -0.049,633 0.011,634 0.1,635 0.011,636 0.05,637 -0.009,638 0.038,639 0.019,640 -0.089,641 0.002,642 -0.063,643 -0.001,644 -0.044,645 0.096,646 -0.001,647 -0.073,648 -0.049,649 0.094,650 -0.085,651 -0.002,652 -0.261,653 -0.019,654 -0.201,655 0.008,656 -0.138,657 1.968,658 6.014,659 0.909,660 30.334,661 1.004,662 1.105,663 4.254,664 18.096,665 0.735,666 3.664,667 4.043,668 4.394,669 4.718,670 5.069,671 5.215,672 5.425,673 5.631,674 5.832,675 5.938,676 6.601,677 0.713,678 431.49,679 3.664,680 5.242,681 6.133,682 7.043,683 7.952,684 8.867,685 9.783,686 10.702,687 11.62,688 12.541,689 5.9,696 1,699 2,703 4,704 13,705 2,709 7,711 28,730 1,731 51,733 30,734 3,735 38,737 56,738 28,739 24,740 8,741 10,742 3,746 6,747 10,752 1,761 27,762 1,766 2,771 1,773 2,775 1,779 1,781 18,782 5,784 5,790 3,794 0.5,795 1,805 2,812 6,816 3,827 1,831 2,840 3,844 1,846 1,848 33,859 1,869 1,870 2,873 1,877 15.833,878 9.91,879 7,880 3.086,881 5.864,882 1.647,883 1.084,884 4.396,885 14.922,886 4.007,887 4.705,888 5.396,889 6.059,890 6.749,891 7.178,892 7.715,893 8.264,894 8.816,895 9.218,896 0.875,897 62,898 12.219,900 5.451,901 7.773,902 23.202,904 19.832,905 2.273,906 75,910 211.88,911 191.627,912 36.695,914 25.145,915 14.96,917 191.627,918 237.025,919 51.655,920 8.825,921 3.124,922 123.191,923 86.963,924 54.906,925 14.96,926 188.338,928 211.88,929 228.322,930 40.105,933 226.84,934 25.145,937 34.333,938 141.466,939 52.524,941 226.84,942 61.84,943 191.627,946 211.88,947 41.516,948 153.236,950 73.676,951 211.88,952 76.8,953 191.627,955 0.596,956 0.362,957 0.199,958 0.118,959 31,960 13,961 0.036,962 2,963 3,964 1.2,965 4.29,966 342.022,967 0.2,968 30,969 164.465,974 19.487,975 7.444,976 3.222,977 3.621,978 76.8,979 24.461,980 9.19,984 4.34,987 480.307,988 54,993 13.014,995 3.298,997 -0.182,999 51.214,1000 56.366,1001 0.259,1002 0.592,1003 0.797,1004 0.949,1005 0.984,1006 0.984,1007 5.257,1008 1.743,1009 6.138,1010 5.521,1011 4.727,1012 5.394,1013 1.356,1014 7.008,1015 4.685,1016 6.505,1017 1.618,1018 7.731,1019 5.094,1020 4.369,1021 5.27,1022 0.325,1023 8.007,1024 4.299,1025 7.839,1026 1.557,1027 9.425,1028 4.5,1029 6.378,1030 7.71,1031 1.511,1032 11.154,1033 6.29,1034 9.21,1035 1.414,1036 11.177,1037 4.072,1038 6.836,1039 8.405,1040 0.653,1041 12.996,1042 6.713,1043 10.611,1044 1.31,1045 12.966,1046 3.528,1047 8.319,1048 10.306,1049 1.739,1050 15.675,1051 8.179,1052 12.034,1053 1.076,1054 14.783,1055 3.013,1056 9.155,1057 11.401,1058 1.001,1059 17.882,1060 8.979,1061 13.474,1062 0.83,1063 16.619,1064 2.926,1065 10.433,1066 13.071,1067 1.993,1068 20.414,1069 10.236,1070 3.339,1071 0.653,1072 18.47,1073 1.963,1074 11.447,1075 14.368,1076 1.37,1077 22.783,1078 11.214,1079 3.004,1080 12.276,1081 20.334,1082 1.537,1083 12.647,1084 15.936,1085 2.264,1086 25.277,1087 12.39,1088 2.862,1089 9.73,1090 22.208,1091 4.582,1092 13.745,1093 17.334,1094 1.754,1095 27.718,1096 13.453,1097 2.689,1098 9.3,1099 24.092,1100 4.347,1101 14.92,1102 18.859,1103 2.551,1104 30.207,1105 14.601,1106 2.511,1107 8.477,1108 25.984,1109 3.919,1110 16.059,1111 20.307,1112 2.143,1113 32.681,1114 15.705,1115 2.22,1116 8.002,1117 27.883,1118 3.622,1119 17.23,1120 21.815,1121 2.851,1122 35.174,1123 16.847,1124 1.929,1125 7.166,1126 29.788,1127 3.348,1128 18.39,1129 23.29,1130 2.535,1131 37.664,1132 17.973,1133 13880,1134 22979,1135 26.065,1136 37.5,1137 58.883,1138 60.163,1139 59.875,1140 58.001,1141 57.987,1142 81.154,1143 2.986,1144 175.306,1145 56.722,1146 5.527,1147 5.751,1148 6.771,1149 5.351,1150 5.339,1151 7.582,1152 2.293,1153 19.74,1154 5.236,1155 13.166,1156 1.55,1157 1.583,1158 1.576,1159 1.526,1160 1.526,1161 2.136,1162 0.079,1163 4.613,1164 1.493,1165 4.157,1166 4.182,1167 4.128,1168 4.093,1169 8.201,1170 4.098,1171 4.024,1172 4.052,1173 3.988,1174 3.953,1175 7.429,1176 3.958,1177 3.907,1178 3.934,1179 3.862,1180 3.838,1181 5.04,1182 3.839,1183 3.683,1184 3.708,1185 3.629,1186 3.604,1187 4.934,1188 3.605,1189 3.442,1190 3.48,1191 3.378,1192 3.341,1193 4.628,1194 3.343,1195 3.221,1196 3.281,1197 3.146,1198 3.064,1199 4.456,1200 3.075,1201 3.16,1202 3.225,1203 3.012,1204 3.022,1205 4.314,1206 3.008,1207 3.01,1208 3.066,1209 2.895,1210 2.876,1211 4.147,1212 2.876,1213 0.124,1214 0.099,1215 0.186,1216 0.113,1217 0.088,1218 4.695,1219 0.121,1220 3.751,1221 0.032,1222 7.084,1223 0.323,1224 4.308,1225 0.085,1226 3.339,1227 4.582,1228 1.2,1229 12.276,1230 3.236,1231 2.103,1232 2.083,1233 2.163,1234 2.181,1235 1.31,1236 2.176,1237 2.005,1238 1.981,1239 2.078,1240 2.094,1241 1.195,1242 2.091,1243 1.888,1244 1.863,1245 1.989,1246 1.978,1247 1.108,1248 1.982,1249 1.668,1250 1.643,1251 1.784,1252 1.773,1253 0.879,1254 1.776,1255 1.423,1256 1.389,1257 1.569,1258 1.556,1259 0.633,1260 1.561,1261 1.212,1262 1.142,1263 1.534,1264 1.416,1265 0.6,1266 1.46,1267 1.145,1268 1.101,1269 1.313,1270 1.333,1271 0.351,1272 1.328,1273 0.987,1274 0.936,1275 1.209,1276 1.158,1277 0.249,1278 1.176,1279 4.344,1281 5.707,1283 7.284,1285 8.958,1287 10.683,1289 1.694,1291 13.93,1300 1.633,1305 36.377,1306 74.874,1307 171.127,1308 230.485,1309 274.539,1310 284.539,1311 284.539,1312 51.648,1313 9.058,1314 47.78,1315 47.78,1316 36,1317 13.05,1318 4.954,1319 4.087,1320 43.022,1321 128,1322 142,1323 0.162,1324 216.662,1325 372.56,1326 520.415,1327 124461,1328 2,1329 22.526,1330 0.683,1331 0.539,1332 21.656,1333 17.788,1334 16.081,1335 0.423,1336 0.28,1337 10.552,1338 15.681,1339 10.289,1340 8.501,1341 15.67,1342 10.646,1343 14.949,1344 0.267,1345 0.146,1346 14.453,1347 8.151,1348 13.56,1349 0.169,1350 0.076,1351 12.898,1352 6.041,1353 11.571,1354 0.104,1355 0.039,1356 11.463,1357 4.344,1358 10.457,1359 0.066,1360 0.02,1361 10.252,1362 3.207,1363 0.248,1364 99.335,1365 0.196,1366 30.047,1367 0.461,1368 188,1369 548.782,1370 200.567,1371 520.184,1372 725.83,1373 488,1374 230,1375 550.125,1376 243.146,1377 558.303,1378 826.39,1379 528,1380 6}
{0 CHEMBL1765610,1 1.596,2 9.214,3 3.875,4 15.019,5 106.25,6 8.614,7 0.688,8 3.902,9 4.006,10 3.603,11 3.529,12 5.127,13 3.53,14 4.387,15 4.519,16 3.996,17 3.932,18 5.603,19 3.926,20 4.615,21 4.767,22 4.087,23 4.068,24 5.844,25 4.047,26 4.704,27 4.883,28 4.053,29 4.085,30 5.907,31 4.05,32 4.698,33 4.878,34 4.048,35 4.099,36 5.864,37 4.053,38 4.679,39 4.856,40 4.023,41 4.053,42 5.899,43 4.009,44 4.645,45 4.835,46 3.934,47 3.949,48 5.973,49 3.899,50 4.514,51 4.721,52 3.688,53 3.753,54 5.731,55 3.685,56 0.071,57 0.699,58 6.059,59 3.463,60 6.37,61 3.882,62 0.167,63 1.128,64 11.4,65 5.727,66 15.047,67 6.581,68 0.225,69 1.411,70 15.851,71 7.588,72 28.44,73 8.524,74 0.393,75 1.536,76 19.919,77 8.624,78 53.239,79 9.634,80 0.335,81 1.404,82 19.412,83 8.485,84 34.415,85 10.198,86 0.293,87 1.366,88 19.221,89 8.728,90 44.732,91 10.478,92 0.501,93 1.404,94 19.441,95 8.277,96 76.052,97 9.701,98 0.227,99 1.261,100 17.391,101 7.617,102 32.226,103 9.225,104 10,105 47,106 0.27,107 0.647,108 0.823,109 0.9,110 0.9,111 0.9,112 3.376,113 0.827,114 -4.49,115 -4.41,116 -4.16,119 51.2,120 1,135 2,142 6,143 5,144 3,145 2,146 1,151 1,158 1,168 1,172 10,174 1,175 10,180 1,183 11,187 9,192 1,195 9,198 1,199 11,204 2,207 11,212 8,217 2,220 15,223 1,224 5,232 15,236 2,237 5,240 2,242 1,245 12,250 2,255 1,258 6,262 1,263 3,266 1,268 3,271 2,275 1210,276 19.154,277 19.154,278 19.154,279 19.154,280 19.154,281 16.321,282 14.001,283 11.005,284 19.385,285 15.781,286 15.781,287 15.781,288 15.781,289 15.781,290 11.452,291 20.021,292 5.208,293 16.188,294 3.83,295 1.606,296 0.564,297 0.111,298 0.111,299 0.111,300 4.087,303 1,304 1,305 1,306 575,307 2.345,310 60.635,311 226.195,315 176.409,318 1.332,319 28.919,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60.5,331 258,332 4.694,333 3.751,334 7.084,335 4.307,336 3.339,337 4.578,338 1.2,339 12.276,340 3.235,341 4.303,342 3.153,343 6.333,344 3.916,345 2.934,346 3.928,347 0.293,348 9.605,349 2.879,350 4.159,351 3.129,352 6.093,353 3.755,354 2.776,355 3.768,357 8.836,358 2.714,359 3.964,360 2.812,361 5.889,362 3.555,363 2.583,364 3.448,366 8.026,367 2.507,368 3.62,369 2.545,370 5.598,371 3.223,372 2.239,373 2.98,375 7.177,376 2.199,377 3.387,378 2.293,379 5.001,380 2.943,381 1.932,382 2.645,384 5.521,385 1.937,386 3.276,387 1.858,388 4.815,389 2.756,390 1.793,391 2.64,393 5.106,394 1.724,395 3.156,396 1.78,397 4.484,398 2.684,399 1.707,400 2.424,402 4.532,403 1.663,404 2.82,405 1.716,406 4.096,407 2.393,408 1.414,409 1.949,411 3.529,412 1.375,413 2.576,414 1.222,415 4.023,416 2.055,417 1.079,418 1.487,420 3.004,421 1.049,422 2.451,423 1.017,424 3.422,425 1.944,426 0.969,427 1.416,428 2.213,429 0.943,430 2.271,431 0.886,432 3.293,433 1.718,434 0.741,435 1.113,436 1.802,437 0.722,438 2.118,439 0.725,440 3.026,441 1.547,442 0.618,443 0.927,445 1.372,446 0.572,447 1.735,448 0.618,449 3,450 1.205,451 0.237,452 0.315,454 0.543,455 0.222,456 1.333,457 0.532,458 2.717,459 0.927,460 -0.054,461 -0.076,463 -0.13,464 -0.053,465 13.219,466 0.472,467 0.73,468 0.026,469 41.75,470 1.491,471 23.5,472 0.839,473 18.25,474 0.652,475 19.683,476 0.703,477 27.581,478 0.641,479 32.157,480 1.148,481 8.404,482 0.3,483 5.21,484 0.186,485 0.085,487 0.409,491 1,493 0.571,494 0.935,495 0.624,496 0.862,497 0.516,498 0.778,499 0.666,500 0.99,501 0.706,502 0.88,503 0.571,504 0.814,505 0.972,506 1.087,507 0.934,508 1.034,509 0.879,510 0.987,511 1.212,512 0.949,513 1.083,514 0.942,515 1.206,516 0.97,517 0.727,518 0.718,519 0.924,520 0.928,521 0.745,522 0.955,523 0.806,524 0.924,525 0.907,526 1.047,527 0.908,528 1.02,529 0.899,530 0.911,531 1.043,532 1.033,533 0.982,534 1.071,535 1.026,536 1.33,537 1.12,538 1.327,539 1.012,540 1.274,541 5,542 0.087,543 3.778,544 1.778,545 2.006,546 1.146,547 0.822,548 0.556,549 0.286,550 0.158,551 9073,552 26998,553 2.177,554 34.9,555 3,556 8,557 1,558 2,559 1,564 1.718,565 2.049,566 3.193,567 -0.358,569 1,573 68.619,574 1.596,575 3.82,576 4.862,577 5.316,578 5.316,579 5.316,580 2.641,581 4.307,582 4.779,583 3.311,584 1251.51,585 8.355,586 15582,588 1,590 1,591 233.329,592 1.375,593 4.745,594 0.156,595 0.009,596 0.08,597 0.036,598 0.042,599 0.024,600 0.018,601 0.014,602 0.01,603 0.008,604 0.396,605 0.33,606 0.88,607 0.517,608 136.423,609 0.009,610 -0.006,611 0.045,612 0.014,613 -0.044,614 0.029,615 0.009,616 -0.054,617 0.051,618 0.018,619 0.008,620 0.039,621 -0.107,622 -0.111,623 -0.09,624 -0.098,625 -0.035,626 -0.089,627 -0.169,628 0.087,629 -0.149,630 0.026,631 -0.152,632 -0.031,633 -0.014,634 0.08,635 -0.021,636 0.025,637 -0.022,638 0.01,639 0.004,640 -0.11,641 0.021,642 -0.07,643 -0.009,644 -0.036,645 0.123,646 0.028,647 -0.062,648 -0.059,649 0.1,650 -0.1,651 -0.044,652 -0.343,653 -0.097,654 -0.321,655 -0.014,656 -0.25,657 1.967,658 5.821,659 0.893,660 21.388,661 1.013,662 1.117,663 3.258,664 10.612,665 0.721,666 3.497,667 3.871,668 4.22,669 4.543,670 4.852,671 5.024,672 5.226,673 5.421,674 5.58,675 5.628,676 5.57,677 0.706,678 370.41,679 3.497,680 5.069,681 5.958,682 6.868,683 7.777,684 8.694,685 9.61,686 10.531,687 11.452,688 12.375,689 9.3,696 1,697 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,730 1,731 43,733 24,734 2,735 32,737 47,738 22,739 18,740 6,741 6,742 3,746 5,747 8,752 1,761 21,762 1,766 2,771 1,773 2,775 1,778 1,779 1,781 15,782 5,783 1,784 6,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,844 1,846 1,848 28,859 1,869 1,870 2.3,873 1,877 13.667,878 8.326,879 5.972,880 2.523,881 4.392,882 1.534,883 1.072,884 3.764,885 12.619,886 3.829,887 4.503,888 5.174,889 5.825,890 6.446,891 6.906,892 7.429,893 7.96,894 8.455,895 8.785,896 1,897 50,898 10.35,900 4.602,901 7.863,902 19.457,904 16.454,905 2.363,906 66.167,909 1,910 164.795,911 148.576,912 53.236,914 25.145,915 14.96,917 148.576,918 189.94,919 68.196,920 8.825,921 3.124,922 84.857,923 86.84,924 66.852,925 26.731,926 129.482,928 164.795,929 201.812,930 40.105,933 179.756,934 25.145,937 48.852,938 100.559,939 52.401,941 179.756,942 78.381,943 148.576,946 164.795,947 36.799,948 114.902,949 16.663,950 73.554,951 164.795,952 93.341,953 148.576,955 0.595,956 0.362,957 0.199,958 0.112,959 26,960 11,961 0.043,962 2,963 2,964 1.16,965 3.845,966 270.852,967 0.16,968 25,969 134.606,974 16.7,975 6.312,976 2.712,977 1.619,978 76.678,979 15.901,980 8.536,981 2.815,984 4.294,986 16.663,987 406.712,988 45,993 12.821,995 3.274,997 -0.181,999 43.549,1000 48.034,1001 0.294,1002 0.704,1003 0.896,1004 0.98,1005 0.98,1006 0.98,1007 5.078,1008 1.707,1009 5.964,1010 5.106,1011 4.554,1012 5.19,1013 1.356,1014 6.836,1015 4.505,1016 6.319,1017 1.414,1018 7.56,1019 4.532,1020 4.205,1021 5.037,1022 0.325,1023 7.851,1024 4.131,1025 7.649,1026 1.079,1027 9.257,1028 3.529,1029 6.205,1030 7.47,1031 1.511,1032 11.005,1033 6.106,1034 9.017,1035 0.969,1036 11.013,1037 3.004,1038 6.686,1039 8.155,1040 0.653,1041 12.873,1042 6.554,1043 10.415,1044 0.741,1045 12.809,1046 2.213,1047 8.153,1048 10.031,1049 1.739,1050 15.561,1051 7.999,1052 11.836,1053 0.618,1054 14.632,1055 1.802,1056 9.009,1057 11.12,1058 1.001,1059 17.79,1060 8.819,1061 13.274,1062 0.237,1063 16.475,1064 1.372,1065 10.279,1066 12.769,1067 1.993,1068 20.335,1069 10.065,1070 3.339,1071 -0.054,1072 18.334,1073 0.543,1074 11.308,1075 14.063,1076 1.37,1077 22.72,1078 11.058,1079 2.934,1080 12.276,1081 20.205,1082 -0.13,1083 12.508,1084 15.617,1085 2.264,1086 25.224,1087 12.23,1088 2.776,1089 9.605,1090 22.088,1091 4.578,1092 13.617,1093 17.015,1094 1.754,1095 27.677,1096 13.304,1097 2.583,1098 8.836,1099 23.979,1100 3.928,1101 14.797,1102 18.533,1103 2.551,1104 30.173,1105 14.454,1106 2.239,1107 8.026,1108 25.879,1109 3.768,1110 15.945,1111 19.984,1112 2.143,1113 32.655,1114 15.567,1115 1.932,1116 7.177,1117 27.786,1118 3.448,1119 17.122,1120 21.491,1121 2.851,1122 35.153,1123 16.713,1124 1.793,1125 5.521,1126 29.699,1127 2.98,1128 18.29,1129 22.971,1130 2.535,1131 37.647,1132 17.847,1133 8433,1134 14663,1135 21.789,1136 30.983,1137 49.686,1138 50.648,1139 50.065,1140 48.701,1141 48.722,1142 67.233,1143 2.986,1144 147.082,1145 47.478,1146 5.526,1147 5.751,1148 6.681,1149 5.351,1150 5.339,1151 7.578,1152 2.293,1153 19.739,1154 5.235,1155 11.645,1156 1.553,1157 1.583,1158 1.565,1159 1.522,1160 1.523,1161 2.101,1162 0.093,1163 4.596,1164 1.484,1165 4.141,1166 4.168,1167 4.113,1168 4.067,1169 8.201,1170 4.074,1171 3.932,1172 3.969,1173 3.888,1174 3.849,1175 7.429,1176 3.852,1177 3.843,1178 3.893,1179 3.797,1180 3.704,1181 5.064,1182 3.719,1183 3.625,1184 3.66,1185 3.57,1186 3.488,1187 4.937,1188 3.502,1189 3.253,1190 3.304,1191 3.195,1192 3.077,1193 4.627,1194 3.097,1195 3.166,1196 3.24,1197 3.015,1198 3.025,1199 4.386,1200 3.01,1201 3.01,1202 3.066,1203 2.895,1204 2.876,1205 4.151,1206 2.876,1207 2.901,1208 2.952,1209 2.823,1210 2.749,1211 3.896,1212 2.759,1213 0.147,1214 0.117,1215 0.221,1216 0.135,1217 0.104,1218 4.694,1219 0.143,1220 3.751,1221 0.038,1222 7.084,1223 0.384,1224 4.307,1225 0.101,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.235,1231 2.077,1232 2.057,1233 2.131,1234 2.162,1235 1.29,1236 2.153,1237 1.895,1238 1.871,1239 1.996,1240 1.987,1241 1.118,1242 1.99,1243 1.692,1244 1.668,1245 1.798,1246 1.796,1247 0.906,1248 1.797,1249 1.419,1250 1.385,1251 1.555,1252 1.667,1253 0.631,1254 1.622,1255 1.244,1256 1.144,1257 1.532,1258 1.534,1259 0.598,1260 1.518,1261 1.208,1262 1.13,1263 1.411,1264 1.412,1265 0.34,1266 1.457,1267 1.103,1268 1.061,1269 1.285,1270 1.288,1271 0.254,1272 1.287,1273 0.986,1274 0.935,1275 1.174,1276 1.156,1277 0.217,1278 1.165,1279 4.174,1281 5.533,1282 2.398,1283 7.099,1284 4.443,1285 8.765,1286 6.293,1287 10.486,1289 1.686,1291 13.786,1300 1.616,1305 30.345,1306 68.619,1307 164.256,1308 209.065,1309 228.574,1310 228.574,1311 228.574,1312 44.417,1313 8.227,1314 63.57,1315 63.57,1316 29,1317 12.882,1318 4.644,1319 3.807,1320 37.312,1321 90,1322 98,1323 0.2,1324 182.078,1325 310.94,1326 436.03,1327 42756,1328 2.3,1329 19.25,1330 0.688,1331 0.535,1332 18.38,1333 14.979,1334 13.614,1335 0.425,1336 0.276,1337 8.708,1338 13.134,1339 8.505,1340 7.031,1341 13.204,1342 8.819,1343 12.616,1344 0.268,1345 0.143,1346 12.12,1347 6.722,1348 11.38,1349 0.17,1350 0.074,1351 10.718,1352 4.949,1353 9.662,1354 0.104,1355 0.038,1356 9.554,1357 3.524,1358 8.214,1359 0.065,1360 0.02,1361 8.008,1362 2.478,1363 0.3,1364 85.083,1365 0.214,1366 25.913,1367 0.591,1368 158,1369 499.115,1370 171.622,1371 466.068,1372 643.53,1373 436,1374 193,1375 485.477,1376 207.228,1377 488.648,1378 720.01,1379 461,1380 5.903}
{0 CHEMBL1765611,1 1.577,2 9.897,3 4.081,4 16.657,5 111.147,6 8.357,7 0.667,8 3.959,9 4.065,10 3.639,11 3.573,12 5.157,13 3.569,14 4.46,15 4.608,16 4.038,17 3.974,18 5.645,19 3.967,20 4.675,21 4.83,22 4.127,23 4.123,24 5.895,25 4.099,26 4.778,27 4.964,28 4.079,29 4.144,30 5.947,31 4.096,32 4.748,33 4.934,34 4.084,35 4.144,36 5.89,37 4.095,38 4.732,39 4.904,40 4.067,41 4.12,42 5.941,43 4.069,44 4.747,45 4.95,46 3.981,47 4.034,48 6.018,49 3.97,50 4.603,51 4.813,52 3.774,53 3.845,54 5.781,55 3.772,56 0.054,57 0.743,58 7.028,59 3.844,60 5.752,61 4.503,62 0.183,63 1.214,64 13.919,65 6.236,66 15.8,67 7.492,68 0.222,69 1.506,70 17.781,71 8.02,72 29.904,73 9.225,74 0.372,75 1.631,76 22.607,77 9.546,78 53.266,79 11.179,80 0.321,81 1.469,82 21.59,83 9.127,84 34.933,85 11.384,86 0.256,87 1.446,88 20.43,89 9.293,90 41.536,91 11.337,92 0.503,93 1.525,94 23.079,95 9.497,96 78.156,97 11.703,98 0.193,99 1.362,100 19.772,101 8.493,102 34.036,103 10.644,104 17,105 49,106 0.264,107 0.634,108 0.819,109 0.89,110 0.89,111 0.89,112 3.41,113 0.837,114 -4.7,115 -4.62,116 -4.34,119 50,120 1,124 1,135 2,142 6,143 5,144 3,145 2,146 1,151 1,158 1,166 1,172 10,174 1,175 11,183 11,187 10,195 9,198 1,199 13,207 11,212 10,220 15,223 1,224 5,232 15,236 4,237 6,245 12,250 3,258 6,262 2,263 6,271 2,275 1337,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 16.743,282 17.163,283 11.141,284 19.854,285 16.265,286 16.265,287 16.265,288 16.265,289 16.265,290 11.862,291 22.521,292 5.287,293 16.719,294 3.946,295 1.735,296 0.631,297 0.207,298 0.207,299 0.207,300 4.118,304 1,305 1,306 636,307 2.449,310 63.935,311 238.111,315 186.112,318 1.356,319 29.001,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 62.5,331 287,332 4.695,333 3.751,334 7.084,335 4.307,336 3.339,337 4.578,338 1.2,339 12.276,340 3.235,341 4.319,342 3.153,343 6.337,344 3.935,345 2.954,346 3.941,347 0.293,348 9.634,349 2.896,350 4.2,351 3.132,352 6.12,353 3.779,354 2.805,355 3.853,357 8.943,358 2.73,359 3.995,360 2.877,361 5.891,362 3.579,363 2.61,364 3.488,366 8.038,367 2.525,368 3.658,369 2.571,370 5.602,371 3.261,372 2.285,373 3.037,375 7.197,376 2.227,377 3.502,378 2.361,379 5.047,380 3.084,381 2.116,382 2.857,384 6.039,385 2.041,386 3.38,387 2.169,388 5,389 2.936,390 1.926,391 2.64,393 5.52,394 1.928,395 3.184,396 1.851,397 4.811,398 2.704,399 1.736,400 2.466,402 5.071,403 1.677,404 2.82,405 1.734,406 4.19,407 2.393,408 1.414,409 1.949,411 3.573,412 1.375,413 2.73,414 1.332,415 4.065,416 2.261,417 1.283,418 1.815,420 3.516,421 1.253,422 2.565,423 1.217,424 4.011,425 2.053,426 1.076,427 1.486,428 2.968,429 1.048,430 2.351,431 0.963,432 3.413,433 1.786,434 0.824,435 1.224,436 1.952,437 0.789,438 2.174,439 0.778,440 3.269,441 1.617,442 0.674,443 1.007,445 1.655,446 0.634,447 1.737,448 0.68,449 3.032,450 1.206,451 0.237,452 0.316,454 0.544,455 0.222,456 1.334,457 0.535,458 2.748,459 0.93,460 -0.049,461 -0.068,463 -0.119,464 -0.048,465 13.719,466 0.473,467 0.836,468 0.029,469 42.5,470 1.466,471 23.5,472 0.81,473 19,474 0.655,475 21.244,476 0.733,477 28.881,478 0.628,479 33.707,480 1.162,481 8.521,482 0.294,483 5.487,484 0.189,485 0.118,487 0.423,491 1,493 0.552,494 1.026,495 0.636,496 0.94,497 0.519,498 0.837,499 0.717,500 0.965,501 0.684,502 0.8,503 0.549,504 0.738,505 1.03,506 1.085,507 0.973,508 1.015,509 0.909,510 0.983,511 1.18,512 0.967,513 1.076,514 0.972,515 1.186,516 0.993,517 0.724,518 0.711,519 0.876,520 0.889,521 0.735,522 0.904,523 0.809,524 0.968,525 0.941,526 1.097,527 0.918,528 1.066,529 0.849,530 0.894,531 0.997,532 1.009,533 0.938,534 1.037,535 0.964,536 1.354,537 1.043,538 1.312,539 0.961,540 1.231,541 6,542 0.119,543 4,544 2.097,545 2.166,546 1.226,547 0.857,548 0.635,549 0.351,550 0.257,551 9948,552 28495,553 2.15,554 37,555 3,556 11,557 1,558 2,564 1.727,565 2,566 3.269,567 -0.785,569 1,573 72.555,574 1.577,575 3.788,576 4.893,577 5.317,578 5.317,579 5.317,580 2.68,581 4.858,582 4.829,583 3.38,584 1372.44,585 8.452,586 17538.8,588 1,590 1,591 254.084,592 1.44,593 4.786,594 0.182,595 0.008,596 0.082,597 0.04,598 0.044,599 0.025,600 0.018,601 0.015,602 0.011,603 0.011,604 0.436,605 0.5,606 0.88,607 0.562,608 143.358,609 0.033,610 -0.079,611 0.061,612 -0.04,613 -0.047,614 -0.002,615 0.001,616 -0.004,617 0.119,618 0.108,619 0.032,620 0.135,621 -0.135,622 -0.078,623 -0.128,624 -0.085,625 -0.054,626 -0.096,627 -0.149,628 0.066,629 -0.137,630 0.002,631 -0.139,632 -0.045,633 -0.004,634 0.102,635 0.027,636 0.069,637 -0.005,638 0.062,639 -0.003,640 -0.132,641 -0.044,642 -0.126,643 -0.019,644 -0.105,645 0.14,646 0.034,647 -0.009,648 -0.027,649 0.11,650 -0.051,651 -0.01,652 -0.373,653 -0.04,654 -0.31,655 0.011,656 -0.218,657 1.965,658 5.867,659 0.862,660 23.37,661 1.009,662 1.118,663 3.471,664 12.045,665 0.712,666 3.526,667 3.912,668 4.248,669 4.575,670 4.89,671 5.05,672 5.252,673 5.46,674 5.635,675 5.694,676 5.789,677 0.693,678 384.44,679 3.526,680 5.106,681 5.994,682 6.907,683 7.815,684 8.733,685 9.649,686 10.571,687 11.491,688 12.415,689 8.7,696 1,697 1,699 2,703 2,704 9,705 2,709 7,710 1,711 22,730 1,731 46,733 24,734 2,735 33,737 50,738 23,739 18,740 6,741 6,742 3,746 5,747 8,752 1,761 21,762 2,766 2,771 1,773 2,775 1,778 1,779 1,781 17,782 5,784 6,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,844 2,846 1,848 29,859 1,869 1,870 2.2,873 1,877 14.5,878 9.276,879 6.139,880 2.697,881 4.428,882 1.531,883 1.055,884 3.988,885 12.761,886 3.85,887 4.535,888 5.199,889 5.851,890 6.478,891 6.927,892 7.451,893 7.994,894 8.502,895 8.842,896 0.857,897 52,898 10.729,900 4.744,901 7.833,902 20.239,904 17.05,905 2.333,906 67.667,909 1,910 200.109,911 156.972,912 38.349,914 25.145,915 14.96,917 156.972,918 225.254,919 53.31,920 17.222,921 3.124,922 84.857,923 86.84,924 51.965,925 26.731,926 164.795,928 200.109,929 195.322,930 40.105,933 215.069,934 25.145,937 33.965,938 108.956,939 52.401,941 215.069,942 63.494,943 156.972,946 200.109,947 36.799,948 125.075,950 73.554,951 200.109,952 78.454,953 156.972,955 0.599,956 0.36,957 0.196,958 0.114,959 27,960 12,961 0.04,962 2,963 2,964 1.16,965 3.902,966 283.593,967 0.16,968 25,969 140.881,974 17.631,975 6.56,976 2.904,977 1.631,978 76.678,979 16.155,980 8.792,984 4.362,985 1.748,987 435.536,988 46,993 12.867,995 3.285,997 -0.178,999 46.432,1000 51.449,1001 0.286,1002 0.686,1003 0.886,1004 0.963,1005 0.963,1006 0.963,1007 5.109,1008 1.736,1009 6.009,1010 5.52,1011 4.595,1012 5.223,1013 1.356,1014 6.882,1015 4.542,1016 6.358,1017 1.414,1018 7.607,1019 5.071,1020 4.29,1021 5.121,1022 0.325,1023 7.892,1024 4.206,1025 7.694,1026 1.283,1027 9.304,1028 3.573,1029 6.252,1030 7.51,1031 1.511,1032 11.038,1033 6.145,1034 9.064,1035 1.076,1036 11.057,1037 3.516,1038 6.746,1039 8.216,1040 0.653,1041 12.894,1042 6.604,1043 10.464,1044 0.824,1045 12.848,1046 2.968,1047 8.199,1048 10.075,1049 1.739,1050 15.581,1051 8.036,1052 11.885,1053 0.674,1054 14.666,1055 1.952,1056 9.058,1057 11.172,1058 1.001,1059 17.804,1060 8.857,1061 13.323,1062 0.237,1063 16.505,1064 1.655,1065 10.321,1066 12.812,1067 1.993,1068 20.347,1069 10.098,1070 3.339,1071 -0.049,1072 18.359,1073 0.544,1074 11.349,1075 14.108,1076 1.37,1077 22.729,1078 11.089,1079 2.954,1080 12.276,1081 20.227,1082 -0.119,1083 12.545,1084 15.657,1085 2.264,1086 25.232,1087 12.259,1088 2.805,1089 9.634,1090 22.107,1091 4.578,1092 13.652,1093 17.054,1094 1.754,1095 27.682,1096 13.332,1097 2.61,1098 8.943,1099 23.996,1100 3.941,1101 14.829,1102 18.568,1103 2.551,1104 30.178,1105 14.48,1106 2.285,1107 8.038,1108 25.893,1109 3.853,1110 15.975,1111 20.018,1112 2.143,1113 32.659,1114 15.592,1115 2.116,1116 7.197,1117 27.798,1118 3.488,1119 17.15,1120 21.522,1121 2.851,1122 35.156,1123 16.736,1124 1.926,1125 6.039,1126 29.709,1127 3.037,1128 18.316,1129 22.999,1130 2.535,1131 37.65,1132 17.869,1133 9302,1134 15870,1135 22.194,1136 32.745,1137 51.589,1138 52.583,1139 52.595,1140 50.568,1141 50.561,1142 69.316,1143 2.986,1144 153.851,1145 49.162,1146 5.526,1147 5.751,1148 6.46,1149 5.351,1150 5.339,1151 7.578,1152 2.293,1153 19.74,1154 5.235,1155 13.971,1156 1.563,1157 1.593,1158 1.594,1159 1.532,1160 1.532,1161 2.1,1162 0.09,1163 4.662,1164 1.49,1165 4.143,1166 4.171,1167 4.115,1168 4.068,1169 8.201,1170 4.076,1171 3.94,1172 3.983,1173 3.898,1174 3.85,1175 7.429,1176 3.854,1177 3.866,1178 3.91,1179 3.82,1180 3.722,1181 5.029,1182 3.74,1183 3.638,1184 3.671,1185 3.583,1186 3.509,1187 4.901,1188 3.522,1189 3.276,1190 3.326,1191 3.213,1192 3.099,1193 4.627,1194 3.118,1195 3.172,1196 3.25,1197 3.02,1198 3.03,1199 4.385,1200 3.014,1201 3.038,1202 3.121,1203 2.895,1204 2.881,1205 4.152,1206 2.877,1207 3.008,1208 3.064,1209 2.871,1210 2.851,1211 3.897,1212 2.845,1213 0.142,1214 0.114,1215 0.215,1216 0.131,1217 0.101,1218 4.695,1219 0.139,1220 3.751,1221 0.036,1222 7.084,1223 0.372,1224 4.307,1225 0.098,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.235,1231 2.077,1232 2.057,1233 2.131,1234 2.162,1235 1.291,1236 2.153,1237 1.896,1238 1.871,1239 1.996,1240 1.988,1241 1.118,1242 1.991,1243 1.694,1244 1.67,1245 1.804,1246 1.822,1247 0.915,1248 1.813,1249 1.494,1250 1.427,1251 1.718,1252 1.772,1253 0.764,1254 1.759,1255 1.37,1256 1.309,1257 1.538,1258 1.536,1259 0.604,1260 1.527,1261 1.209,1262 1.134,1263 1.504,1264 1.412,1265 0.571,1266 1.457,1267 1.103,1268 1.063,1269 1.286,1270 1.29,1271 0.331,1272 1.287,1273 0.986,1274 0.935,1275 1.174,1276 1.156,1277 0.227,1278 1.165,1279 4.205,1281 5.572,1282 2.398,1283 7.14,1284 4.595,1285 8.803,1286 6.555,1287 10.52,1289 3.561,1291 13.819,1300 1.624,1305 31.871,1306 72.555,1307 174.256,1308 225.064,1309 244.574,1310 244.574,1311 244.574,1312 46.647,1313 8.333,1314 52.71,1315 52.71,1316 29,1317 12.921,1318 4.644,1319 3.807,1320 39.279,1321 97,1322 113,1323 0.195,1324 191.67,1325 328.24,1326 459.435,1327 48786,1328 2.2,1329 20.121,1330 0.694,1331 0.549,1332 19.25,1333 15.926,1334 14.008,1335 0.424,1336 0.279,1337 9.089,1338 13.495,1339 8.82,1340 7.317,1341 13.597,1342 9.212,1343 13.25,1344 0.27,1345 0.146,1346 12.754,1347 7.137,1348 11.715,1349 0.17,1350 0.075,1351 11.053,1352 5.155,1353 9.912,1354 0.103,1355 0.038,1356 9.804,1357 3.685,1358 8.618,1359 0.065,1360 0.02,1361 8.413,1362 2.632,1363 0.295,1364 87.597,1365 0.212,1366 26.738,1367 0.573,1368 164,1369 510.427,1370 178.316,1371 476.808,1372 659.47,1373 446,1374 200,1375 499.77,1376 215.255,1377 503.941,1378 741.38,1379 474,1380 6}
{0 CHEMBL1765612,1 1.576,2 11.323,3 4.804,4 23.074,5 117.183,6 8.397,7 0.657,8 4.017,9 4.11,10 3.695,11 3.635,12 5.23,13 3.633,14 4.511,15 4.644,16 4.082,17 4.021,18 5.719,19 4.014,20 4.725,21 4.867,22 4.215,23 4.181,24 5.962,25 4.166,26 4.837,27 5.015,28 4.138,29 4.206,30 6.022,31 4.163,32 4.824,33 5.009,34 4.127,35 4.225,36 5.954,37 4.163,38 4.811,39 4.995,40 4.122,41 4.177,42 5.992,43 4.124,44 4.758,45 4.934,46 4.056,47 4.086,48 6.062,49 4.04,50 4.677,51 4.869,52 3.873,53 3.961,54 5.87,55 3.893,56 0.044,57 0.726,58 7.323,59 4.201,60 6.425,61 4.754,62 0.266,63 1.188,64 14.715,65 6.915,66 22.021,67 7.962,68 0.233,69 1.523,70 18.323,71 8.61,72 30.363,73 9.703,74 0.461,75 1.709,76 23.558,77 9.848,78 58.727,79 11.016,80 0.327,81 1.543,82 23.14,83 10.299,84 37.114,85 12.879,86 0.304,87 1.502,88 23.42,89 10.481,90 48.394,91 12.99,92 0.5,93 1.509,94 22.048,95 9.423,96 78.398,97 10.909,98 0.243,99 1.425,100 20.438,101 9.135,102 35.355,103 11.006,104 18,105 51,106 0.26,107 0.606,108 0.787,109 0.882,110 0.895,111 0.895,112 3.473,113 0.837,114 -5.31,115 -5.2,116 -4.86,119 51,120 1,124 1,135 2,142 8,143 5,144 3,145 2,146 1,147 1,158 1,172 12,174 2,175 12,183 13,187 11,195 12,198 1,199 12,207 15,212 9,220 17,223 1,224 9,232 16,236 2,237 9,245 14,250 3,258 10,262 3,263 5,271 7,275 1626,276 21.179,277 21.179,278 21.179,279 21.179,280 21.179,281 18.243,282 18.314,283 12.089,284 21.592,285 17.175,286 17.175,287 17.175,288 17.175,289 17.175,290 12.612,291 24.672,292 5.634,293 17.791,294 4.039,295 1.945,296 0.847,297 0.276,298 0.194,299 0.194,300 4.183,304 1,305 1,306 773,307 2.646,311 348.194,315 207.342,318 1.58,319 32.546,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 67,331 351,332 4.694,333 3.751,334 7.084,335 4.307,336 3.339,337 4.578,338 1.2,339 12.276,340 3.235,341 4.306,342 3.153,343 6.333,344 3.92,345 2.938,346 3.93,347 0.86,348 9.608,349 2.883,350 4.176,351 3.13,352 6.096,353 3.764,354 2.788,355 3.805,356 0.293,357 8.853,358 2.719,359 3.988,360 2.904,361 5.89,362 3.571,363 2.605,364 3.486,366 8.029,367 2.516,368 3.727,369 2.693,370 5.6,371 3.313,372 2.378,373 3.131,375 7.191,376 2.235,377 3.583,378 2.522,379 5.293,380 3.183,381 2.21,382 2.932,384 6.745,385 2.123,386 3.383,387 2.275,388 5.001,389 2.94,390 1.929,391 2.64,393 5.521,394 1.933,395 3.195,396 1.853,397 4.814,398 2.708,399 1.741,400 2.49,402 5.09,403 1.679,404 2.928,405 1.739,406 4.374,407 2.447,408 1.472,409 2.11,411 4.126,412 1.43,413 2.82,414 1.569,415 4.089,416 2.392,417 1.414,418 1.949,420 3.528,421 1.374,422 2.569,423 1.221,424 4.021,425 2.053,426 1.077,427 1.5,428 2.987,429 1.048,430 2.5,431 1.044,432 3.414,433 1.959,434 1,435 1.486,436 2.275,437 0.956,438 2.359,439 1,440 3.414,441 1.795,442 0.832,443 1.232,445 1.961,446 0.798,447 1.758,448 0.946,449 3.038,450 1.364,451 0.499,452 0.568,454 0.786,455 0.428,456 1.651,457 0.759,458 2.871,459 1.204,460 0.237,461 0.316,463 0.541,464 0.222,465 14.652,466 0.473,467 0.798,468 0.026,469 46.25,470 1.492,471 26,472 0.839,473 20.25,474 0.653,475 22.612,476 0.729,477 30.948,478 0.632,479 37.325,480 1.204,481 9.347,482 0.302,483 5.699,484 0.184,485 0.11,487 0.403,491 1,493 0.629,494 1.041,495 0.639,496 0.96,497 0.541,498 0.839,499 0.781,500 0.93,501 0.713,502 0.804,503 0.599,504 0.759,505 0.973,506 1.15,507 0.901,508 1.019,509 0.882,510 0.955,511 1.212,512 0.938,513 1.157,514 0.922,515 1.23,516 0.988,517 0.6,518 0.747,519 0.893,520 0.954,521 0.719,522 0.978,523 0.714,524 0.909,525 0.842,526 1.002,527 0.862,528 0.969,529 0.977,530 0.972,531 1.041,532 1.011,533 0.998,534 1.037,535 0.967,536 1.294,537 1.102,538 1.275,539 0.984,540 1.236,541 6,542 0.202,543 4.222,544 2,545 2.178,546 1.389,547 0.952,548 0.625,549 0.405,550 0.251,551 12145,552 35932,553 2.14,554 36.7,555 3,556 13,558 2,564 1.742,565 2,566 3.423,567 -0.799,573 77.211,574 1.576,575 3.67,576 4.768,577 5.339,578 5.421,579 5.421,580 2.885,581 4.696,582 4.921,583 3.548,584 1649.71,585 8.632,586 22269.3,588 1,591 275.121,592 1.418,593 4.886,594 0.171,595 0.01,596 0.083,597 0.035,598 0.042,599 0.027,600 0.019,601 0.014,602 0.011,603 0.009,604 0.42,605 0.5,606 0.88,607 0.701,608 157.866,609 -0.017,610 -0.123,611 0.054,612 -0.055,613 -0.053,614 -0.002,615 0.027,616 0.008,617 0.099,618 0.115,619 0.018,620 0.116,621 -0.104,622 -0.138,623 -0.065,624 -0.094,625 -0.027,626 -0.076,627 -0.202,628 0.135,629 -0.231,630 0.025,631 -0.182,632 -0.069,633 0.022,634 0.065,635 0.006,636 0.008,637 -0.011,638 0.007,639 0.032,640 -0.078,641 0.091,642 -0.021,643 0.022,644 0.029,645 0.032,646 -0.008,647 -0.091,648 -0.05,649 0.084,650 -0.091,651 -0.052,652 -0.292,653 -0.131,654 -0.288,655 -0.031,656 -0.245,657 1.974,658 5.924,659 0.839,660 28.331,661 1.011,662 1.114,663 4.084,664 16.678,665 0.713,666 3.584,667 3.951,668 4.29,669 4.595,670 4.942,671 5.1,672 5.298,673 5.481,674 5.666,675 5.768,676 6.349,677 0.696,678 411.46,679 3.584,680 5.153,681 6.038,682 6.942,683 7.847,684 8.759,685 9.672,686 10.589,687 11.506,688 12.427,689 6.1,696 1,699 2,703 2,704 10,705 2,709 8,711 23,729 1,730 1,731 49,733 25,734 2,735 35,737 53,738 25,739 20,740 6,741 6,742 3,746 5,747 8,752 1,761 23,762 2,766 2,771 1,773 2,775 1,779 1,781 18,782 6,784 6,790 3,794 0.6,795 2,805 2,812 5,816 2,827 1,831 2,840 3,844 2,846 1,848 31,856 1,859 1,869 1,870 4.1,873 1,875 1,877 15.5,878 9.826,879 6.722,880 2.843,881 4.677,882 1.549,883 1.039,884 4.67,885 13.195,886 3.902,887 4.57,888 5.234,889 5.872,890 6.55,891 6.972,892 7.493,893 8.016,894 8.54,895 8.93,896 0.875,897 57,898 11.46,900 5.02,901 7.849,902 21.548,904 17.929,905 2.349,906 72.833,908 1,909 1,910 211.88,911 174.179,912 36.695,914 36.145,915 14.96,917 174.179,918 248.025,919 51.655,920 19.708,921 3.124,922 94.762,923 86.963,924 61.189,925 19.775,926 188.338,928 211.88,929 210.874,930 51.105,933 226.84,934 36.145,937 32.188,938 126.162,939 52.524,941 226.84,942 72.84,943 174.179,946 211.88,947 41.613,948 135.69,950 84.676,951 211.88,952 87.8,953 174.179,955 0.592,956 0.361,957 0.192,958 0.114,959 27,960 12,961 0.057,962 3,963 2,964 1.154,965 4.078,966 306.013,967 0.154,968 26,969 153.58,974 19.261,975 7.516,976 3.325,977 1.585,978 87.8,979 17.804,980 8.841,984 4.724,987 473.859,988 48.5,993 12.924,995 3.268,997 -0.192,999 49.542,1000 54.575,1001 0.281,1002 0.654,1003 0.849,1004 0.951,1005 0.965,1006 0.965,1007 5.152,1008 1.741,1009 6.043,1010 5.521,1011 4.635,1012 5.257,1013 1.679,1014 6.907,1015 4.572,1016 6.391,1017 1.472,1018 7.636,1019 5.09,1020 4.29,1021 5.121,1022 0.325,1023 7.912,1024 4.198,1025 7.721,1026 1.414,1027 9.328,1028 4.126,1029 6.282,1030 7.534,1031 1.728,1032 11.049,1033 6.164,1034 9.087,1035 1.077,1036 11.078,1037 3.528,1038 6.746,1039 8.202,1040 0.653,1041 12.9,1042 6.593,1043 10.482,1044 1,1045 12.866,1046 2.987,1047 8.217,1048 10.088,1049 1.872,1050 15.581,1051 8.043,1052 11.898,1053 0.832,1054 14.681,1055 2.275,1056 9.054,1057 11.152,1058 1.001,1059 17.802,1060 8.845,1061 13.332,1062 0.499,1063 16.516,1064 1.961,1065 10.326,1066 12.814,1067 2.071,1068 20.343,1069 10.095,1070 3.339,1071 0.237,1072 18.368,1073 0.786,1074 11.342,1075 14.087,1076 1.37,1077 22.725,1078 11.076,1079 2.938,1080 12.276,1081 20.234,1082 0.541,1083 12.541,1084 15.65,1085 2.309,1086 25.227,1087 12.25,1088 2.788,1089 9.608,1090 22.111,1091 4.578,1092 13.642,1093 17.034,1094 1.754,1095 27.678,1096 13.318,1097 2.605,1098 8.853,1099 23.998,1100 3.93,1101 14.819,1102 18.556,1103 2.576,1104 30.175,1105 14.468,1106 2.378,1107 8.029,1108 25.894,1109 3.805,1110 15.962,1111 19.999,1112 2.143,1113 32.655,1114 15.577,1115 2.21,1116 7.191,1117 27.798,1118 3.486,1119 17.138,1120 21.507,1121 2.865,1122 35.154,1123 16.723,1124 1.929,1125 6.745,1126 29.708,1127 3.131,1128 18.302,1129 22.982,1130 2.535,1131 37.648,1132 17.855,1133 11424,1134 19772,1135 23.581,1136 34.955,1137 53.702,1138 55.338,1139 55.322,1140 52.871,1141 52.92,1142 72.301,1143 4.706,1144 159.031,1145 51.162,1146 5.526,1147 5.751,1148 6.635,1149 5.351,1150 5.339,1151 7.578,1152 2.293,1153 19.739,1154 5.235,1155 14.814,1156 1.534,1157 1.581,1158 1.581,1159 1.511,1160 1.512,1161 2.066,1162 0.134,1163 4.544,1164 1.462,1165 4.139,1166 4.163,1167 4.111,1168 4.069,1169 8.201,1170 4.076,1171 3.927,1172 3.954,1173 3.884,1174 3.851,1175 7.429,1176 3.854,1177 3.844,1178 3.874,1179 3.8,1180 3.744,1181 5.031,1182 3.753,1183 3.638,1184 3.665,1185 3.585,1186 3.531,1187 4.927,1188 3.538,1189 3.31,1190 3.353,1191 3.241,1192 3.123,1193 4.628,1194 3.144,1195 3.198,1196 3.271,1197 3.05,1198 3.033,1199 4.465,1200 3.018,1201 3.157,1202 3.226,1203 2.993,1204 2.942,1205 4.307,1206 2.947,1207 3.01,1208 3.066,1209 2.895,1210 2.875,1211 4.131,1212 2.876,1213 0.134,1214 0.107,1215 0.202,1216 0.123,1217 0.095,1218 4.694,1219 0.131,1220 3.751,1221 0.034,1222 7.084,1223 0.351,1224 4.307,1225 0.092,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.235,1231 2.085,1232 2.065,1233 2.14,1234 2.169,1235 1.296,1236 2.161,1237 1.905,1238 1.881,1239 2.003,1240 2.005,1241 1.123,1242 2.004,1243 1.804,1244 1.777,1245 1.898,1246 1.927,1247 0.979,1248 1.919,1249 1.604,1250 1.577,1251 1.731,1252 1.74,1253 0.786,1254 1.735,1255 1.24,1256 1.196,1257 1.564,1258 1.511,1259 0.602,1260 1.526,1261 1.204,1262 1.129,1263 1.535,1264 1.419,1265 0.573,1266 1.462,1267 1.138,1268 1.072,1269 1.332,1270 1.351,1271 0.372,1272 1.349,1273 0.987,1274 0.937,1275 1.186,1276 1.157,1277 0.257,1278 1.165,1279 4.263,1281 5.617,1283 7.185,1285 8.85,1287 10.566,1289 3.26,1291 13.864,1297 5.143,1300 1.613,1305 34.092,1306 77.211,1307 179.837,1308 233.611,1309 261.611,1310 265.611,1311 265.611,1312 51.762,1313 8.518,1314 57.01,1315 57.01,1316 30,1317 12.936,1318 4.7,1319 3.858,1320 43.386,1321 114,1322 153,1323 0.184,1324 205.129,1325 357.99,1326 492.276,1327 62328,1328 2,1329 21.535,1330 0.695,1331 0.547,1332 20.665,1333 16.964,1334 15.046,1335 0.43,1336 0.279,1337 9.629,1338 14.492,1339 9.355,1340 7.762,1341 14.635,1342 9.765,1343 13.761,1344 0.27,1345 0.144,1346 13.265,1347 7.324,1348 12.448,1349 0.173,1350 0.075,1351 11.787,1352 5.396,1353 10.301,1354 0.105,1355 0.039,1356 10.193,1357 3.787,1358 9.16,1359 0.066,1360 0.02,1361 8.955,1362 2.751,1363 0.281,1364 94.243,1365 0.206,1366 28.503,1367 0.528,1368 172,1369 554.518,1370 187.557,1371 514.099,1372 707.4,1373 482,1374 209,1375 526.67,1376 224.637,1377 531.928,1378 783.86,1379 500,1380 6}
{0 CHEMBL1765613,1 1.717,2 11.647,3 5.044,4 25.445,5 116.704,6 10.009,7 0.605,8 3.984,9 4.064,10 3.784,11 3.619,12 5.346,13 3.651,14 4.492,15 4.594,16 4.253,17 4.007,18 6.242,19 4.044,20 4.721,21 4.855,22 4.332,23 4.168,24 6.144,25 4.193,26 4.838,27 4.993,28 4.364,29 4.172,30 6.516,31 4.192,32 4.796,33 4.959,34 4.269,35 4.177,36 6.184,37 4.17,38 4.777,39 4.931,40 4.252,41 4.149,42 6.161,43 4.151,44 4.782,45 4.937,46 4.339,47 4.068,48 6.533,49 4.103,50 4.691,51 4.859,52 4.184,53 3.906,54 6.283,55 3.959,56 0.236,57 0.949,58 3.218,59 3.636,60 45.536,61 3.152,62 0.902,63 1.916,64 7.438,65 6.135,66 155.771,67 5.069,68 0.682,69 1.892,70 11.53,71 8.066,72 113.556,73 7.406,74 1.378,75 2.446,76 16.592,77 9.402,78 237.434,79 8.029,80 0.949,81 1.897,82 16.761,83 9.176,84 145.101,85 9.237,86 0.864,87 1.854,88 16.068,89 9.452,90 160.619,91 9.413,92 1.204,93 2.017,94 16.358,95 9.13,96 224.722,97 8.84,98 0.906,99 2.032,100 15.215,101 8.545,102 154.698,103 7.674,104 41,105 57,106 0.285,107 0.611,108 0.783,109 0.884,110 0.898,111 0.898,112 3.561,113 0.785,114 -4.74,115 -4.65,116 -4.37,119 54.3,132 1,135 2,142 8,143 5,144 3,145 2,146 2,158 2,172 11,174 1,175 11,183 12,186 1,187 11,195 11,198 1,199 11,207 14,212 9,220 17,223 1,224 7,232 13,236 2,237 9,245 12,250 4,258 8,262 1,263 4,271 5,275 2112,276 22.651,277 22.651,278 22.651,279 22.651,280 22.651,281 19.714,282 19.355,283 12.782,284 23.143,285 18.67,286 18.67,287 18.67,288 18.67,289 18.67,290 13.976,291 24.796,292 5.961,293 19.585,294 3.807,295 1.838,296 0.799,297 0.19,298 0.103,299 0.103,300 4.265,304 1,305 1,306 860,307 3.606,311 393.691,315 233.223,318 1.765,319 66.447,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 77,331 396,332 4.7,333 4.475,334 7.246,335 4.328,336 3.402,337 4.578,338 3.825,339 12.358,340 3.238,341 4.54,342 4.057,343 7.076,344 4.221,345 3.305,346 4.067,347 2.035,348 12.094,349 2.986,350 4.259,351 3.749,352 6.32,353 3.892,354 2.91,355 3.844,356 1.2,357 9.562,358 2.847,359 4.082,360 3.134,361 6.084,362 3.658,363 2.69,364 3.546,365 0.293,366 8.797,367 2.594,368 3.87,369 2.978,370 5.635,371 3.381,372 2.421,373 3.235,375 7.375,376 2.327,377 3.72,378 2.819,379 5.426,380 3.276,381 2.328,382 3.058,384 6.768,385 2.211,386 3.526,387 2.556,388 5.293,389 3.131,390 2.174,391 2.772,393 6.71,394 2.05,395 3.353,396 2.385,397 4.991,398 2.906,399 1.915,400 2.607,402 5.485,403 1.838,404 3.214,405 2.242,406 4.813,407 2.7,408 1.738,409 2.464,411 5.086,412 1.663,413 3.133,414 1.806,415 4.374,416 2.461,417 1.472,418 2.177,420 4.126,421 1.454,422 2.779,423 1.487,424 4.085,425 2.115,426 1.155,427 1.616,428 3.169,429 1.092,430 2.583,431 1.436,432 4.017,433 2.053,434 1.076,435 1.5,436 2.964,437 1.048,438 2.567,439 1.21,440 3.414,441 1.959,442 1,443 1.486,445 2.275,446 0.957,447 2.5,448 1,449 3.414,450 1.798,451 0.832,452 1.254,454 1.961,455 0.8,456 2.353,457 0.967,458 3.041,459 1.439,460 0.499,461 0.963,463 0.786,464 0.468,465 15.576,466 0.458,467 1.087,468 0.032,469 50.75,470 1.493,471 28.5,472 0.838,473 22.25,474 0.654,475 24.939,476 0.734,477 34.224,478 0.744,479 45.606,480 1.341,481 10.217,482 0.301,483 6.04,484 0.178,485 0.12,486 0.032,487 0.379,490 3,491 1,493 0.54,494 0.842,495 0.51,496 0.869,497 0.554,498 0.765,499 0.465,500 0.753,501 0.615,502 0.877,503 0.429,504 0.864,505 0.713,506 0.892,507 0.815,508 1.002,509 0.642,510 0.989,511 0.825,512 0.792,513 1.053,514 0.95,515 0.782,516 1.052,517 0.643,518 0.606,519 0.944,520 0.898,521 0.737,522 1.027,523 0.777,524 0.824,525 0.951,526 1.029,527 0.8,528 1.084,529 0.733,530 0.99,531 0.833,532 1.043,533 0.69,534 1.031,535 1.233,536 1.335,537 1.096,538 1.247,539 1.186,540 1.158,541 8,542 0.305,543 4.889,544 2.75,545 2.396,546 1.687,547 1.238,548 0.866,549 0.611,550 0.376,551 15124,552 60267,553 2.084,554 26.1,556 10,558 2,564 1.766,565 1.915,566 3.453,567 -0.729,573 78.968,574 1.717,575 3.686,576 4.725,577 5.333,578 5.42,579 5.42,580 2.918,581 4.359,582 5.056,583 3.627,584 2034.86,585 8.903,586 29379.4,591 254.084,592 1.642,593 4.997,594 0.211,595 0.011,596 0.086,597 0.044,598 0.039,599 0.029,600 0.022,601 0.015,602 0.012,603 0.01,604 0.479,605 0.33,606 0.75,607 0.832,608 178.39,609 -0.019,610 -0.059,611 0.02,612 -0.026,613 -0.055,614 0.002,615 0.3,616 0.177,617 0.052,618 0.007,619 0.287,620 -0.074,621 -0.056,622 -0.107,623 -0.024,624 -0.102,625 -0.01,626 -0.068,627 0.088,628 0.147,629 -0.116,630 0.01,631 0.105,632 -0.089,633 0.047,634 0.127,635 -0.003,636 0.054,637 -0.043,638 0.016,639 -0.044,640 -0.076,641 -0.001,642 -0.058,643 -0.067,644 -0.031,645 0.186,646 -0.101,647 0.168,648 -0.063,649 0.217,650 -0.013,651 -0.17,652 -0.299,653 -0.034,654 -0.235,655 -0.136,656 -0.131,657 6.173,658 5.9,659 0.765,660 33.087,661 1.045,662 1.132,663 3.506,664 12.292,665 0.735,666 3.664,667 4.06,668 4.369,669 4.682,670 5.004,671 5.17,672 5.398,673 5.576,674 5.765,675 5.883,676 6.726,677 0.75,678 460.41,679 3.664,680 5.252,681 6.133,682 7.052,683 7.953,684 8.876,685 9.787,686 10.712,687 11.627,688 12.554,689 8.7,696 1,698 1,699 2,703 2,704 10,705 2,709 8,711 23,713 1,730 1,731 46,733 26,734 2,735 38,737 50,738 25,739 20,740 6,741 6,742 3,746 5,747 8,752 1,757 1,760 1,761 23,762 1,766 2,771 1,773 2,775 1,779 4,781 12,782 9,784 9,790 4,794 0.6,795 1,805 2,812 5,816 2,827 1,831 2,840 3,846 4,848 34,859 1,860 1,861 1,866 1,868 1,869 4,870 2.2,873 1,877 17.75,878 8.788,879 7.222,880 2.666,881 4.929,882 1.564,883 1.048,884 4.98,885 13.671,886 3.998,887 4.649,888 5.311,889 5.945,890 6.606,891 7.042,892 7.584,893 8.075,894 8.607,895 9.026,896 0.875,897 63,898 13.434,900 6.816,901 8.414,902 22.595,904 18.978,905 2.914,906 99.083,909 1,910 141.253,911 176.774,912 67.755,914 25.145,915 59.84,917 176.774,918 166.398,919 127.595,921 3.124,922 94.762,923 103.565,924 128.885,925 14.96,926 117.711,927 7.76,928 141.253,929 244.529,930 84.985,933 156.213,934 70.025,937 64.939,938 127.066,939 52.524,941 201.094,942 92.9,943 176.774,946 149.013,947 39.555,948 115.982,949 16.602,950 149.616,951 141.253,952 152.74,953 176.774,955 0.601,956 0.355,957 0.191,958 0.109,959 30,960 14,961 0.04,962 2,963 2,964 1.154,965 4.215,966 348.754,967 0.154,968 26,969 168.219,974 21.468,975 7.887,976 3.748,977 1.019,978 152.74,979 14.028,980 8.455,984 -0.505,987 470.767,988 53.5,993 12.876,995 2.756,997 -0.579,999 48.087,1000 52.053,1001 0.311,1002 0.667,1003 0.855,1004 0.966,1005 0.981,1006 0.981,1007 5.277,1008 1.915,1009 6.176,1010 6.71,1011 4.745,1012 5.338,1013 3.466,1014 7.077,1015 4.656,1016 6.539,1017 1.738,1018 7.799,1019 5.485,1020 4.575,1021 5.255,1022 3.911,1023 8.274,1024 4.364,1025 7.884,1026 1.472,1027 9.527,1028 5.086,1029 6.466,1030 7.616,1031 5.575,1032 11.356,1033 6.274,1034 9.263,1035 1.155,1036 11.319,1037 4.126,1038 7.074,1039 8.316,1040 6.691,1041 13.348,1042 6.756,1043 10.67,1044 1.076,1045 13.151,1046 3.169,1047 8.501,1048 10.175,1049 8.103,1050 16.022,1051 8.181,1052 12.098,1053 1,1054 15.012,1055 2.964,1056 9.444,1057 11.256,1058 9.389,1059 18.324,1060 9.014,1061 13.543,1062 0.832,1063 16.893,1064 2.275,1065 10.711,1066 12.903,1067 10.747,1068 20.874,1069 10.252,1070 3.402,1071 0.499,1072 18.791,1073 1.961,1074 11.8,1075 14.184,1076 12.074,1077 23.297,1078 11.249,1079 3.305,1080 12.358,1081 20.702,1082 0.786,1083 13.015,1084 15.737,1085 13.42,1086 25.81,1087 12.418,1088 2.91,1089 12.094,1090 22.623,1091 4.578,1092 14.168,1093 17.123,1094 14.758,1095 28.281,1096 13.492,1097 2.69,1098 9.562,1099 24.552,1100 4.067,1101 15.369,1102 18.639,1103 16.101,1104 30.784,1105 14.638,1106 2.421,1107 8.797,1108 26.488,1109 3.844,1110 16.55,1111 20.08,1112 17.441,1113 33.274,1114 15.749,1115 2.328,1116 7.375,1117 28.43,1118 3.546,1119 17.75,1120 21.583,1121 18.783,1122 35.776,1123 16.891,1124 2.174,1125 6.768,1126 30.377,1127 3.235,1128 18.945,1129 23.054,1130 20.124,1131 38.274,1132 18.021,1133 14388,1134 28938,1135 24.967,1136 33.796,1137 60.773,1138 62.085,1139 60.46,1140 58.498,1141 58.206,1142 78.853,1143 14.706,1144 179.916,1145 55.496,1146 5.532,1147 6.475,1148 6.797,1149 5.372,1150 5.402,1151 7.578,1152 5.86,1153 19.876,1154 5.238,1155 19.102,1156 1.599,1157 1.634,1158 1.591,1159 1.539,1160 1.532,1161 2.075,1162 0.387,1163 4.735,1164 1.46,1165 4.14,1166 4.165,1167 4.114,1168 4.07,1169 8.513,1170 4.077,1171 3.939,1172 3.965,1173 3.913,1174 3.852,1175 8.2,1176 3.861,1177 3.857,1178 3.89,1179 3.825,1180 3.763,1181 7.999,1182 3.773,1183 3.647,1184 3.674,1185 3.605,1186 3.546,1187 7.999,1188 3.552,1189 3.333,1190 3.376,1191 3.338,1192 3.157,1193 7.429,1194 3.181,1195 3.282,1196 3.32,1197 3.257,1198 3.028,1199 6.821,1200 3.077,1201 3.108,1202 3.155,1203 3.066,1204 2.953,1205 5.003,1206 2.971,1207 3.016,1208 3.068,1209 2.948,1210 2.873,1211 4.81,1212 2.883,1213 0.124,1214 0.118,1215 0.191,1216 0.114,1217 0.09,1218 4.7,1219 0.12,1220 4.475,1221 0.101,1222 7.246,1223 0.325,1224 4.328,1225 0.085,1226 3.402,1227 4.578,1228 3.825,1229 12.358,1230 3.238,1231 2.086,1232 2.066,1233 2.14,1234 2.169,1235 1.295,1236 2.161,1237 1.901,1238 1.879,1239 1.974,1240 2.007,1241 1.095,1242 1.996,1243 1.817,1244 1.79,1245 1.896,1246 1.93,1247 0.974,1248 1.919,1249 1.613,1250 1.586,1251 1.728,1252 1.739,1253 0.783,1254 1.732,1255 1.234,1256 1.202,1257 1.348,1258 1.445,1259 0.379,1260 1.391,1261 1.107,1262 1.072,1263 1.207,1264 1.393,1265 0.279,1266 1.334,1267 1.042,1268 1.003,1269 1.198,1270 1.224,1271 0.256,1272 1.201,1273 0.981,1274 0.931,1275 1.133,1276 1.156,1277 0.174,1278 1.164,1279 4.344,1281 5.72,1283 7.3,1285 8.973,1287 10.696,1291 53.93,1300 1.12,1301 -4.923,1303 8.963,1304 1.944,1305 34.494,1306 78.968,1307 169.555,1308 217.329,1309 245.329,1310 249.329,1311 249.329,1312 85.211,1313 8.742,1314 71.57,1315 71.57,1316 30,1317 13.06,1318 4.755,1319 4.044,1320 49.702,1321 132,1322 180,1323 0.181,1324 205.667,1325 373.13,1326 493.588,1327 82065,1328 8.7,1329 24.035,1330 0.707,1331 0.504,1332 20.665,1333 17.137,1334 16.257,1335 0.428,1336 0.262,1337 9.766,1338 15.516,1339 9.649,1340 7.891,1341 14.635,1342 9.943,1343 15.756,1344 0.276,1345 0.132,1346 13.265,1347 7.507,1348 13.158,1349 0.169,1350 0.07,1351 11.787,1352 5.442,1353 11.273,1354 0.105,1355 0.036,1356 10.193,1357 3.848,1358 9.679,1359 0.065,1360 0.019,1361 8.955,1362 2.792,1363 0.277,1364 102.999,1365 0.2,1366 30.721,1367 0.517,1368 190,1369 826.76,1370 220.278,1371 701.339,1372 921.18,1373 648,1374 230,1375 653.533,1376 254.149,1377 640.283,1378 961.91,1379 602,1380 5.903}
{0 CHEMBL1765614,1 1.618,2 10.567,3 3.427,4 11.745,5 113.874,6 8.64,7 0.676,8 3.966,9 4.072,10 3.662,11 3.579,12 5.216,13 3.584,14 4.441,15 4.577,16 4.063,17 3.975,18 5.705,19 3.971,20 4.681,21 4.831,22 4.181,23 4.132,24 5.945,25 4.121,26 4.778,27 4.961,28 4.101,29 4.144,30 5.988,31 4.106,32 4.757,33 4.945,34 4.103,35 4.151,36 5.918,37 4.104,38 4.719,39 4.887,40 4.1,41 4.116,42 5.966,43 4.077,44 4.723,45 4.91,46 4.023,47 4.036,48 6.062,49 3.989,50 4.627,51 4.839,52 3.825,53 3.863,54 5.844,55 3.801,56 0.071,57 0.762,58 6.465,59 3.602,60 9.976,61 3.989,62 0.231,63 1.225,64 12.128,65 6.08,66 21.65,67 7.085,68 0.262,69 1.546,70 16.507,71 7.76,72 31.314,73 8.587,74 0.45,75 1.658,76 21.318,77 9.045,78 60.371,79 10.078,80 0.371,81 1.49,82 21.241,83 9.144,84 40.332,85 11.215,86 0.303,87 1.451,88 19.114,89 8.922,90 46.228,91 10.599,92 0.535,93 1.528,94 20.483,95 8.735,96 81.624,97 10.192,98 0.263,99 1.406,100 19.784,101 8.507,102 38.481,103 10.541,104 17,105 50,106 0.27,107 0.637,108 0.792,109 0.866,110 0.876,111 0.876,112 3.442,113 0.821,114 -4.53,115 -4.46,116 -4.2,119 50,120 1,135 2,142 6,143 5,144 3,145 3,146 1,150 1,158 1,163 1,164 1,165 1,172 10,174 2,175 11,177 2,178 2,183 11,187 10,195 9,198 1,199 13,204 1,207 11,209 1,212 10,217 1,220 15,222 1,223 1,224 5,229 2,232 15,234 2,236 4,237 6,242 2,245 12,247 2,250 3,258 6,262 2,263 6,265 2,266 2,268 1,271 2,273 1,275 1476,276 20.309,277 20.309,278 20.309,279 20.309,280 20.309,281 17.321,282 17.163,283 11.591,284 20.639,285 16.748,286 16.748,287 16.748,288 16.748,289 16.748,290 12.19,291 22.521,292 5.495,293 17.317,294 3.905,295 1.708,296 0.778,297 0.337,298 0.277,299 0.277,300 4.151,304 1,305 1,306 700,307 2.449,311 329.931,315 195.744,318 1.5,319 33.897,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65,331 317,332 4.694,333 3.751,334 7.084,335 4.307,336 3.339,337 4.578,338 1.2,339 12.276,340 3.235,341 4.305,342 3.153,343 6.333,344 3.917,345 2.937,346 3.929,347 0.293,348 9.607,349 2.878,350 4.171,351 3.129,352 6.095,353 3.76,354 2.784,355 3.799,357 8.846,358 2.714,359 3.982,360 2.831,361 5.89,362 3.564,363 2.597,364 3.479,366 8.027,367 2.51,368 3.689,369 2.563,370 5.599,371 3.261,372 2.312,373 3.099,375 7.181,376 2.212,377 3.568,378 2.396,379 5.04,380 3.144,381 2.188,382 2.923,384 6.076,385 2.063,386 3.383,387 2.242,388 5.001,389 2.939,390 1.928,391 2.64,393 5.52,394 1.932,395 3.193,396 1.852,397 4.813,398 2.707,399 1.74,400 2.486,402 5.085,403 1.679,404 2.902,405 1.736,406 4.336,407 2.413,408 1.434,409 2.077,411 4.031,412 1.401,413 2.82,414 1.462,415 4.087,416 2.392,417 1.414,418 1.949,420 3.528,421 1.374,422 2.568,423 1.22,424 4.02,425 2.053,426 1.076,427 1.5,428 2.985,429 1.048,430 2.5,431 1,432 3.414,433 1.917,434 1,435 1.486,436 2.275,437 0.916,438 2.356,439 0.966,440 3.414,441 1.789,442 0.822,443 1.226,445 1.955,446 0.792,447 1.745,448 0.768,449 3.035,450 1.211,451 0.24,452 0.322,454 0.55,455 0.226,456 1.35,457 0.545,458 2.782,459 0.96,465 14.119,466 0.471,467 0.836,468 0.028,469 46,470 1.533,471 26,472 0.867,473 20,474 0.667,475 20.982,476 0.699,477 29.681,478 0.645,479 36.536,480 1.218,481 9.165,482 0.305,483 5.343,484 0.178,485 0.108,487 0.418,491 1,493 0.659,494 1.028,495 0.642,496 0.879,497 0.616,498 0.777,499 0.587,500 0.896,501 0.662,502 0.853,503 0.539,504 0.793,505 1.015,506 1.123,507 0.932,508 1.028,509 0.875,510 0.971,511 1.232,512 0.944,513 1.146,514 0.967,515 1.2,516 1.015,517 0.701,518 0.696,519 0.868,520 0.892,521 0.718,522 0.91,523 0.811,524 0.958,525 0.909,526 1.08,527 0.9,528 1.043,529 0.91,530 0.927,531 1.066,532 1.054,533 0.984,534 1.094,535 0.955,536 1.316,537 1.03,538 1.295,539 0.956,540 1.218,541 6,542 0.194,543 4.222,544 2,545 2.138,546 1.326,547 0.952,548 0.625,549 0.393,550 0.235,551 11012,552 33639,553 2.145,554 34.8,555 3,556 8,558 3,559 2,564 1.735,565 2,566 3.346,567 0.21,569 1,573 74.432,574 1.618,575 3.815,576 4.746,577 5.186,578 5.246,579 5.246,580 2.836,581 4.123,582 4.876,583 3.461,584 1505.6,585 8.544,586 19763.2,588 1,590 1,591 254.084,592 1.429,593 4.837,594 0.176,595 0.011,596 0.084,597 0.036,598 0.043,599 0.026,600 0.019,601 0.014,602 0.011,603 0.009,604 0.43,605 0.33,606 0.88,607 0.551,608 150.517,609 -0.064,610 -0.077,611 0.03,612 0.01,613 -0.095,614 0.037,615 0.108,616 0.061,617 0.102,618 0.057,619 0.058,620 0.068,621 -0.134,622 -0.123,623 -0.103,624 -0.098,625 -0.046,626 -0.09,627 -0.198,628 0.091,629 -0.212,630 0.004,631 -0.177,632 -0.073,633 0.004,634 0.1,635 0.054,636 0.086,637 -0.006,638 0.087,639 -0.005,640 -0.126,641 -0.01,642 -0.1,643 -0.014,644 -0.071,645 0.092,646 0.015,647 -0.103,648 -0.08,649 0.066,650 -0.129,651 -0.013,652 -0.354,653 0.001,654 -0.278,655 -0.005,656 -0.176,657 1.982,658 5.881,659 0.867,660 25.84,661 1.014,662 1.12,663 3.303,664 10.907,665 0.717,666 3.555,667 3.932,668 4.263,669 4.575,670 4.927,671 5.075,672 5.268,673 5.464,674 5.645,675 5.73,676 6.051,677 0.704,678 397.44,679 3.555,680 5.13,681 6.014,682 6.921,683 7.825,684 8.739,685 9.652,686 10.571,687 11.489,688 12.41,689 10.9,693 1,696 1,699 3,703 2,704 9,705 3,709 8,711 23,722 1,730 1,731 46,733 25,734 2,735 34,737 50,738 23,739 19,740 6,741 6,742 3,746 5,747 8,752 1,761 22,762 1,766 2,771 1,773 2,775 1,778 1,779 1,781 16,782 7,783 2,784 7,790 5,794 0.6,795 1,805 1,806 1,812 5,816 2,827 1,831 2,840 3,844 1,846 1,848 30,849 1,859 1,869 1,870 2.2,873 1,877 15,878 8.86,879 6.389,880 2.64,881 4.656,882 1.552,883 1.061,884 4.216,885 13.086,886 3.882,887 4.559,888 5.218,889 5.859,890 6.54,891 6.956,892 7.473,893 8.006,894 8.527,895 8.904,896 1,897 55,898 11.074,900 4.905,901 7.911,902 20.677,904 17.332,905 2.411,906 72.333,909 1,910 164.795,911 150.475,912 86.378,914 25.145,915 14.96,917 150.475,918 189.94,919 101.338,920 8.825,921 3.124,922 108.707,923 115.519,924 59.236,925 16.859,926 129.482,928 164.795,929 236.853,930 40.105,933 179.756,934 25.145,937 43.135,938 124.409,939 69.309,941 179.756,942 111.523,943 150.475,946 164.795,947 38.698,948 114.902,950 123.359,951 164.795,952 126.483,953 150.475,955 0.597,956 0.357,957 0.191,958 0.116,959 27,960 12,961 0.04,962 2,963 2,964 1.154,965 3.988,966 294.782,967 0.154,968 26,969 143.207,974 18.262,975 6.926,976 3.106,977 1.53,978 126.483,979 15.435,980 12.639,984 4.121,986 32.897,987 441.754,988 47.5,993 12.881,995 3.238,997 -0.206,999 46.651,1000 51.532,1001 0.293,1002 0.691,1003 0.859,1004 0.939,1005 0.95,1006 0.95,1007 5.134,1008 1.74,1009 6.023,1010 5.52,1011 4.615,1012 5.247,1013 1.356,1014 6.889,1015 4.553,1016 6.379,1017 1.434,1018 7.617,1019 5.085,1020 4.29,1021 5.121,1022 0.325,1023 7.892,1024 4.199,1025 7.711,1026 1.414,1027 9.31,1028 4.031,1029 6.263,1030 7.527,1031 1.511,1032 11.033,1033 6.145,1034 9.077,1035 1.076,1036 11.06,1037 3.528,1038 6.735,1039 8.196,1040 0.653,1041 12.886,1042 6.584,1043 10.472,1044 1,1045 12.849,1046 2.985,1047 8.2,1048 10.081,1049 1.739,1050 15.572,1051 8.025,1052 11.888,1053 0.822,1054 14.665,1055 2.275,1056 9.041,1057 11.145,1058 1.001,1059 17.795,1060 8.834,1061 13.322,1062 0.24,1063 16.501,1064 1.955,1065 10.312,1066 12.808,1067 1.993,1068 20.339,1069 10.079,1070 3.339,1072 18.355,1073 0.55,1074 11.33,1075 14.081,1076 1.37,1077 22.722,1078 11.065,1079 2.937,1080 12.276,1081 20.222,1083 12.53,1084 15.645,1085 2.264,1086 25.226,1087 12.238,1088 2.784,1089 9.607,1090 22.101,1091 4.578,1092 13.633,1093 17.03,1094 1.754,1095 27.677,1096 13.308,1097 2.597,1098 8.846,1099 23.989,1100 3.929,1101 14.811,1102 18.553,1103 2.551,1104 30.174,1105 14.457,1106 2.312,1107 8.027,1108 25.887,1109 3.799,1110 15.955,1111 19.996,1112 2.143,1113 32.655,1114 15.568,1115 2.188,1116 7.181,1117 27.792,1118 3.479,1119 17.132,1120 21.505,1121 2.851,1122 35.153,1123 16.714,1124 1.928,1125 6.076,1126 29.703,1127 3.099,1128 18.297,1129 22.979,1130 2.535,1131 37.648,1132 17.847,1133 10314,1134 18148,1135 22.887,1136 32.989,1137 52.638,1138 53.766,1139 53.967,1140 51.654,1141 51.621,1142 70.986,1143 2.986,1144 155.887,1145 49.956,1146 5.526,1147 5.751,1148 6.498,1149 5.376,1150 5.339,1151 7.578,1152 2.293,1153 19.739,1154 5.235,1155 14.384,1156 1.548,1157 1.581,1158 1.587,1159 1.519,1160 1.518,1161 2.088,1162 0.088,1163 4.585,1164 1.469,1165 4.137,1166 4.162,1167 4.11,1168 4.065,1169 8.201,1170 4.073,1171 3.923,1172 3.953,1173 3.881,1174 3.847,1175 7.429,1176 3.85,1177 3.822,1178 3.868,1179 3.784,1180 3.696,1181 5.237,1182 3.71,1183 3.628,1184 3.663,1185 3.577,1186 3.495,1187 4.982,1188 3.51,1189 3.277,1190 3.327,1191 3.224,1192 3.098,1193 4.64,1194 3.121,1195 3.172,1196 3.25,1197 3.025,1198 3.03,1199 4.608,1200 3.014,1201 3.018,1202 3.096,1203 2.902,1204 2.878,1205 4.358,1206 2.877,1207 3.001,1208 3.062,1209 2.894,1210 2.811,1211 4.141,1212 2.83,1213 0.138,1214 0.11,1215 0.208,1216 0.127,1217 0.098,1218 4.694,1219 0.135,1220 3.751,1221 0.035,1222 7.084,1223 0.361,1224 4.307,1225 0.095,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.235,1231 2.083,1232 2.062,1233 2.136,1234 2.168,1235 1.292,1236 2.16,1237 1.901,1238 1.876,1239 2,1240 2.003,1241 1.119,1242 2,1243 1.764,1244 1.73,1245 1.851,1246 1.92,1247 0.925,1248 1.901,1249 1.579,1250 1.541,1251 1.696,1252 1.736,1253 0.695,1254 1.727,1255 1.22,1256 1.163,1257 1.535,1258 1.432,1259 0.601,1260 1.464,1261 1.181,1262 1.12,1263 1.342,1264 1.389,1265 0.349,1266 1.386,1267 0.989,1268 0.938,1269 1.223,1270 1.239,1271 0.238,1272 1.24,1273 0.946,1274 0.881,1275 1.168,1276 1.156,1277 0.149,1278 1.165,1279 4.234,1281 5.595,1283 7.165,1285 8.831,1287 10.55,1289 1.674,1291 13.833,1293 5.596,1300 1.592,1305 32.366,1306 74.432,1307 175.501,1308 218.309,1309 238.574,1310 241.329,1311 241.329,1312 50.109,1313 8.43,1314 86.69,1315 86.69,1316 30,1317 12.919,1318 4.7,1319 3.858,1320 41.3,1321 105,1322 132,1323 0.19,1324 195.537,1325 336.6,1326 468.87,1327 55659,1328 2.2,1329 20.828,1330 0.694,1331 0.533,1332 19.957,1333 16.003,1334 14.508,1335 0.427,1336 0.274,1337 9.181,1338 14,1339 8.964,1340 7.414,1341 14.097,1342 9.301,1343 13.591,1344 0.272,1345 0.141,1346 13.096,1347 7.064,1348 12.04,1349 0.172,1350 0.073,1351 11.378,1352 5.122,1353 9.99,1354 0.104,1355 0.038,1356 9.882,1357 3.602,1358 9.05,1359 0.066,1360 0.019,1361 8.845,1362 2.646,1363 0.288,1364 90.643,1365 0.209,1366 27.62,1367 0.551,1368 168,1369 535.739,1370 183.481,1371 503.48,1372 693.4,1373 470,1374 204,1375 521.434,1376 219.311,1377 526.415,1378 775.58,1379 496,1380 5.903}
{0 CHEMBL1765615,1 1.539,2 10.75,3 4.634,4 21.471,5 121.445,6 8.581,7 0.73,8 4.032,9 4.131,10 3.734,11 3.682,12 5.235,13 3.679,14 4.526,15 4.653,16 4.144,17 4.096,18 5.727,19 4.084,20 4.771,21 4.924,22 4.246,23 4.231,24 5.987,25 4.207,26 4.847,27 5.031,28 4.164,29 4.235,30 6.018,31 4.19,32 4.809,33 4.989,34 4.152,35 4.238,36 5.945,37 4.181,38 4.797,39 4.965,40 4.165,41 4.219,42 6,43 4.17,44 4.808,45 4.995,46 4.09,47 4.153,48 6.082,49 4.095,50 4.706,51 4.911,52 3.927,53 4.001,54 5.872,55 3.933,56 0.04,57 0.749,58 6.87,59 3.889,60 6.464,61 4.39,62 0.161,63 1.247,64 12.888,65 6.573,66 15.52,67 7.645,68 0.204,69 1.607,70 18.545,71 8.746,72 30.452,73 9.937,74 0.411,75 1.747,76 23.177,77 9.836,78 56.971,79 11.02,80 0.298,81 1.529,82 21.823,83 9.87,84 35.869,85 12.088,86 0.25,87 1.504,88 20.933,89 9.888,90 43.605,91 11.912,92 0.461,93 1.615,94 22.481,95 9.772,96 77.369,97 11.486,98 0.208,99 1.489,100 21.152,101 9.398,102 36.718,103 11.615,104 10,105 55,106 0.252,107 0.612,108 0.795,109 0.888,110 0.902,111 0.902,112 3.503,113 0.829,114 -5.18,115 -5.07,116 -4.75,119 53.1,120 1,135 2,142 8,143 6,144 3,145 2,146 1,151 1,158 1,161 1,172 13,174 1,175 11,178 1,180 2,183 14,187 11,192 1,195 13,198 1,199 11,204 1,207 16,212 8,217 1,220 19,223 1,224 7,229 2,232 18,236 2,237 7,242 2,245 14,250 5,258 11,262 1,263 4,266 2,268 1,271 8,275 1702,276 21.963,277 21.963,278 21.963,279 21.963,280 21.963,281 18.614,282 14.001,283 12.501,284 22.255,285 18.253,286 18.253,287 18.253,288 18.253,289 18.253,290 13.096,291 20.021,292 5.919,293 18.761,294 4.075,295 1.87,296 0.75,297 0.179,298 0.097,299 0.097,300 4.226,304 1,305 1,306 780,307 2.55,310 66.049,311 330.91,314 111.24,315 204.912,318 1.578,319 31.379,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.5,331 344,332 4.695,333 3.751,334 7.084,335 4.308,336 3.339,337 4.582,338 1.2,339 12.276,340 3.236,341 4.454,342 3.154,343 6.356,344 3.992,345 3.012,346 4.374,347 0.293,348 9.736,349 2.951,350 4.275,351 3.135,352 6.237,353 3.839,354 2.867,355 3.919,357 9.313,358 2.783,359 4.081,360 2.972,361 5.984,362 3.669,363 2.694,364 3.626,366 8.492,367 2.623,368 3.89,369 2.674,370 5.882,371 3.492,372 2.515,373 3.35,375 8.003,376 2.452,377 3.602,378 2.508,379 5.595,380 3.205,381 2.221,382 2.955,384 7.167,385 2.182,386 3.384,387 2.266,388 5.001,389 2.94,390 1.929,391 2.64,393 5.521,394 1.934,395 3.2,396 1.853,397 4.814,398 2.708,399 1.742,400 2.506,402 5.094,403 1.68,404 3.035,405 1.737,406 4.468,407 2.487,408 1.535,409 2.302,411 4.393,412 1.473,413 2.994,414 1.535,415 4.302,416 2.478,417 1.503,418 2.224,420 4.028,421 1.447,422 2.82,423 1.508,424 4.09,425 2.392,426 1.414,427 1.949,428 3.528,429 1.374,430 2.578,431 1.221,432 4.021,433 2.054,434 1.08,435 1.58,436 2.991,437 1.049,438 2.545,439 1.064,440 3.441,441 2.019,442 1.056,443 1.486,445 2.388,446 1.014,447 2.353,448 0.957,449 3.41,450 1.785,451 0.818,452 1.223,454 1.948,455 0.788,456 1.913,457 0.765,458 3.059,459 1.364,460 0.418,461 0.621,463 1.027,464 0.394,465 15.219,466 0.476,467 0.849,468 0.027,469 48.75,470 1.523,471 27.5,472 0.859,473 21.25,474 0.664,475 23.214,476 0.725,477 30.981,478 0.632,479 38.735,480 1.21,481 9.683,482 0.303,483 5.898,484 0.184,485 0.074,487 0.421,491 1,493 0.611,494 0.99,495 0.628,496 0.858,497 0.527,498 0.768,499 0.627,500 0.965,501 0.701,502 0.878,503 0.557,504 0.818,505 0.981,506 1.133,507 0.931,508 1.039,509 0.856,510 0.985,511 1.263,512 0.895,513 1.137,514 0.906,515 1.217,516 0.965,517 0.678,518 0.713,519 0.901,520 0.932,521 0.737,522 0.954,523 0.785,524 0.925,525 0.907,526 1.047,527 0.902,528 1.021,529 0.93,530 0.952,531 1.069,532 1.037,533 0.961,534 1.074,535 0.948,536 1.249,537 1.017,538 1.212,539 0.937,540 1.155,541 6,542 0.187,543 4.444,544 2.132,545 2.284,546 1.302,547 0.92,548 0.637,549 0.397,550 0.275,551 14018,552 39070,553 2.21,554 34.7,555 3,556 10,557 1,558 2,559 1,564 1.75,565 2.087,566 3.4,567 -0.403,573 75.422,574 1.539,575 3.745,576 4.865,577 5.436,578 5.518,579 5.518,580 2.871,581 4.5,582 4.972,583 3.54,584 1755.77,585 8.727,586 24183.9,588 1,591 275.121,592 1.348,593 4.942,594 0.162,595 0.007,596 0.081,597 0.036,598 0.042,599 0.024,600 0.017,601 0.013,602 0.01,603 0.008,604 0.401,605 0.33,606 0.88,607 0.476,608 164.315,609 -0.034,610 -0.081,611 0.045,612 -0.002,613 -0.056,614 0.028,615 0.055,616 -0.033,617 0.056,618 0.002,619 0.018,620 0.02,621 -0.095,622 -0.153,623 -0.074,624 -0.121,625 -0.021,626 -0.099,627 -0.194,628 0.15,629 -0.185,630 0.055,631 -0.163,632 -0.027,633 0.018,634 0.079,635 0.016,636 0.035,637 -0.005,638 0.03,639 0.015,640 -0.105,641 0.007,642 -0.075,643 -0.002,644 -0.049,645 0.066,646 -0.014,647 -0.094,648 -0.062,649 0.084,650 -0.102,651 -0.01,652 -0.275,653 0.006,654 -0.201,655 0.009,656 -0.124,657 1.969,658 5.981,659 0.906,660 28.098,661 1.009,662 1.111,663 3.95,664 15.6,665 0.729,666 3.638,667 4.025,668 4.382,669 4.71,670 5.03,671 5.198,672 5.412,673 5.617,674 5.787,675 5.922,676 6.375,677 0.712,678 420.47,679 3.638,680 5.22,681 6.116,682 7.029,683 7.941,684 8.859,685 9.776,686 10.697,687 11.617,688 12.54,689 8.2,696 1,697 1,699 2,703 4,704 11,705 2,706 1,709 7,711 27,730 1,731 49,733 29,734 2,735 37,737 54,738 26,739 22,740 6,741 6,742 3,746 6,747 10,752 1,761 25,762 1,766 2,771 1,773 2,775 1,778 1,779 1,781 17,782 5,783 1,784 6,790 4,794 0.5,795 1,805 2,807 1,811 1,812 5,815 1,816 2,827 1,831 2,840 3,844 1,846 1,848 32,859 1,869 1,870 2,873 1,877 15.333,878 9.493,879 6.75,880 2.926,881 5.576,882 1.623,883 1.096,884 4.124,885 14.53,886 3.98,887 4.684,888 5.38,889 6.047,890 6.694,891 7.151,892 7.692,893 8.24,894 8.732,895 9.195,896 1,897 59,898 11.844,900 5.311,901 7.797,902 22.42,904 19.221,905 2.297,906 73.5,909 1,910 188.338,911 171.817,912 53.481,914 25.145,915 14.96,917 171.817,918 213.483,919 68.441,920 8.825,921 3.124,922 103.81,923 88.678,924 69.547,925 26.731,926 153.024,928 188.338,929 225.298,930 40.105,933 203.298,934 25.145,937 50.689,938 122.085,939 52.524,941 203.298,942 78.626,943 171.817,946 188.338,947 41.087,948 133.854,949 16.786,950 73.676,951 188.338,952 93.586,953 171.817,955 0.599,956 0.365,957 0.2,958 0.114,959 31,960 13,961 0.037,962 2,963 3,964 1.207,965 4.214,966 329.813,967 0.207,968 29,969 156,974 18.768,975 7.031,976 3.011,977 3.475,978 76.8,979 20.212,980 9.081,981 3.107,984 4.313,986 16.786,987 453.74,988 52.5,993 12.981,995 3.291,997 -0.183,999 49.432,1000 54.449,1001 0.274,1002 0.667,1003 0.866,1004 0.968,1005 0.983,1006 0.983,1007 5.235,1008 1.742,1009 6.125,1010 5.521,1011 4.71,1012 5.373,1013 1.356,1014 7,1015 4.657,1016 6.486,1017 1.535,1018 7.723,1019 5.094,1020 4.369,1021 5.27,1022 0.325,1023 8.007,1024 4.292,1025 7.824,1026 1.503,1027 9.419,1028 4.393,1029 6.368,1030 7.696,1031 1.511,1032 11.152,1033 6.264,1034 9.199,1035 1.414,1036 11.173,1037 4.028,1038 6.847,1039 8.422,1040 0.653,1041 12.999,1042 6.711,1043 10.604,1044 1.08,1045 12.965,1046 3.528,1047 8.318,1048 10.303,1049 1.739,1050 15.676,1051 8.158,1052 12.031,1053 1.056,1054 14.782,1055 2.991,1056 9.167,1057 11.422,1058 1.001,1059 17.884,1060 8.973,1061 13.475,1062 0.818,1063 16.619,1064 2.388,1065 10.437,1066 13.079,1067 1.993,1068 20.416,1069 10.218,1070 3.339,1071 0.418,1072 18.471,1073 1.948,1074 11.458,1075 14.392,1076 1.37,1077 22.785,1078 11.205,1079 3.012,1080 12.276,1081 20.335,1082 1.027,1083 12.655,1084 15.952,1085 2.264,1086 25.278,1087 12.374,1088 2.867,1089 9.736,1090 22.21,1091 4.582,1092 13.756,1093 17.36,1094 1.754,1095 27.719,1096 13.441,1097 2.694,1098 9.313,1099 24.094,1100 4.374,1101 14.929,1102 18.881,1103 2.551,1104 30.208,1105 14.586,1106 2.515,1107 8.492,1108 25.986,1109 3.919,1110 16.069,1111 20.335,1112 2.143,1113 32.682,1114 15.692,1115 2.221,1116 8.003,1117 27.885,1118 3.626,1119 17.24,1120 21.841,1121 2.851,1122 35.175,1123 16.833,1124 1.929,1125 7.167,1126 29.79,1127 3.35,1128 18.4,1129 23.319,1130 2.535,1131 37.665,1132 17.96,1133 12705,1134 21349,1135 25.372,1136 35.745,1137 57.706,1138 58.792,1139 58.395,1140 56.738,1141 56.758,1142 79.304,1143 2.986,1144 172.894,1145 55.203,1146 5.527,1147 5.751,1148 6.593,1149 5.356,1150 5.339,1151 7.582,1152 2.293,1153 19.74,1154 5.236,1155 12.865,1156 1.56,1157 1.589,1158 1.578,1159 1.533,1160 1.534,1161 2.143,1162 0.081,1163 4.673,1164 1.492,1165 4.166,1166 4.195,1167 4.135,1168 4.089,1169 8.201,1170 4.097,1171 4.048,1172 4.085,1173 4.014,1174 3.939,1175 7.429,1176 3.952,1177 3.907,1178 3.935,1179 3.863,1180 3.836,1181 5.085,1182 3.838,1183 3.682,1184 3.709,1185 3.629,1186 3.593,1187 4.961,1188 3.596,1189 3.405,1190 3.449,1191 3.349,1192 3.272,1193 4.628,1194 3.283,1195 3.201,1196 3.271,1197 3.112,1198 3.046,1199 4.457,1200 3.047,1201 3.146,1202 3.205,1203 3.004,1204 3.002,1205 4.282,1206 2.997,1207 3.009,1208 3.065,1209 2.895,1210 2.875,1211 4.132,1212 2.876,1213 0.127,1214 0.101,1215 0.191,1216 0.116,1217 0.09,1218 4.695,1219 0.124,1220 3.751,1221 0.032,1222 7.084,1223 0.332,1224 4.308,1225 0.087,1226 3.339,1227 4.582,1228 1.2,1229 12.276,1230 3.236,1231 2.088,1232 2.068,1233 2.142,1234 2.17,1235 1.3,1236 2.163,1237 1.914,1238 1.889,1239 2.006,1240 2.016,1241 1.129,1242 2.011,1243 1.841,1244 1.814,1245 1.918,1246 1.948,1247 1.039,1248 1.941,1249 1.621,1250 1.595,1251 1.737,1252 1.751,1253 0.826,1254 1.743,1255 1.464,1256 1.396,1257 1.639,1258 1.685,1259 0.611,1260 1.683,1261 1.233,1262 1.193,1263 1.535,1264 1.428,1265 0.602,1266 1.463,1267 1.195,1268 1.126,1269 1.349,1270 1.378,1271 0.409,1272 1.374,1273 0.993,1274 0.946,1275 1.197,1276 1.159,1277 0.286,1278 1.166,1279 4.317,1281 5.687,1282 2.398,1283 7.262,1284 4.595,1285 8.933,1286 6.581,1287 10.654,1289 1.691,1291 13.905,1300 1.628,1305 34.871,1306 75.422,1307 183.505,1308 238.366,1309 266.366,1310 270.366,1311 270.366,1312 49.309,1313 8.954,1314 63.57,1315 63.57,1316 35,1317 13.047,1318 4.907,1319 4.044,1320 41.141,1321 120,1322 122,1323 0.165,1324 207.199,1325 351.6,1326 497.326,1327 108353,1328 2,1329 21.819,1330 0.682,1331 0.535,1332 20.949,1333 17.133,1334 15.581,1335 0.421,1336 0.276,1337 10.118,1338 15.114,1339 9.882,1340 8.154,1341 15.17,1342 10.23,1343 14.596,1344 0.265,1345 0.143,1346 14.1,1347 7.874,1348 13.31,1349 0.168,1350 0.074,1351 12.648,1352 5.85,1353 11.4,1354 0.104,1355 0.038,1356 11.292,1357 4.213,1358 9.92,1359 0.065,1360 0.02,1361 9.714,1362 2.995,1363 0.253,1364 96.789,1365 0.199,1366 29.23,1367 0.475,1368 184,1369 549.115,1370 198.344,1371 518.225,1372 723.05,1373 486,1374 226,1375 550.096,1376 240.978,1377 556.387,1378 824.61,1379 526,1380 6.602}
{0 CHEMBL1765616,1 1.59,2 11.455,3 5.796,4 33.592,5 126.248,6 9.415,7 0.737,8 4.013,9 4.095,10 3.791,11 3.716,12 5.241,13 3.706,14 4.496,15 4.598,16 4.21,17 4.125,18 5.74,19 4.108,20 4.778,21 4.92,22 4.373,23 4.275,24 6.057,25 4.249,26 4.804,27 4.969,28 4.25,29 4.255,30 5.991,31 4.207,32 4.79,33 4.954,34 4.236,35 4.264,36 5.967,37 4.206,38 4.774,39 4.926,40 4.293,41 4.236,42 6.051,43 4.184,44 4.743,45 4.917,46 4.225,47 4.163,48 6.056,49 4.102,50 4.64,51 4.819,52 4.067,53 4.007,54 5.893,55 3.944,56 0.048,57 0.649,58 4.914,59 3.461,60 6.016,61 3.841,62 0.147,63 1.091,64 9.111,65 5.757,66 12.543,67 6.311,68 0.371,69 1.481,70 18.876,71 8.635,72 46.442,73 9.298,74 0.394,75 1.539,76 19.944,77 9.016,78 42.818,79 9.822,80 0.333,81 1.424,82 20.18,83 9.432,84 39.746,85 11.112,86 0.367,87 1.373,88 19.283,89 9.304,90 55.98,91 10.72,92 0.443,93 1.449,94 20.897,95 9.197,96 66.814,97 10.68,98 0.319,99 1.305,100 22.245,101 8.77,102 41.837,103 10.172,104 10,105 56,106 0.26,107 0.527,108 0.73,109 0.88,110 0.914,111 0.914,112 3.533,113 0.846,114 -5.75,115 -5.62,116 -5.23,119 56.3,135 2,142 11,143 5,144 4,145 2,146 2,158 1,172 14,174 1,175 12,183 17,187 11,195 16,198 1,199 12,207 19,212 7,220 19,223 1,224 7,232 21,236 2,237 6,245 18,250 5,258 11,262 1,263 8,271 9,275 1868,276 22.67,277 22.67,278 22.67,279 22.67,280 22.67,281 19.192,282 13.484,283 13.001,284 23.014,285 18.753,286 18.753,287 18.753,288 18.753,289 18.753,290 13.429,291 18.921,292 6.166,293 19.411,294 3.995,295 2.363,296 1.126,297 0.208,300 4.256,301 1,305 1,306 854,307 2.55,311 420.593,315 338.666,318 1.62,319 33.934,322 0.75,323 0.5,324 1,325 0.4,327 1,328 1,329 0.66,330 70.333,331 378,332 4.695,333 3.752,334 7.084,335 4.307,336 3.339,337 4.582,338 1.2,339 12.276,340 3.234,341 4.439,342 3.291,343 6.354,344 3.989,345 3.004,346 4.347,347 0.293,348 9.73,349 2.958,350 4.274,351 3.139,352 6.232,353 3.821,354 2.862,355 3.919,357 9.3,358 2.753,359 4.078,360 2.961,361 5.98,362 3.641,363 2.689,364 3.622,366 8.477,367 2.561,368 3.887,369 2.668,370 5.881,371 3.48,372 2.511,373 3.348,375 8.002,376 2.393,377 3.601,378 2.507,379 5.595,380 3.2,381 2.22,382 2.955,384 7.166,385 2.159,386 3.384,387 2.266,388 5.001,389 2.935,390 1.929,391 2.64,393 5.521,394 1.906,395 3.202,396 2.122,397 4.814,398 2.707,399 1.743,400 2.511,402 5.094,403 1.674,404 3.118,405 1.79,406 4.493,407 2.587,408 1.618,409 2.427,411 4.5,412 1.57,413 3.047,414 1.618,415 4.324,416 2.55,417 1.557,418 2.303,420 4.072,421 1.541,422 2.82,423 1.562,424 4.09,425 2.319,426 1.414,427 1.955,428 3.528,429 1.299,430 2.807,431 1.315,432 4.021,433 2.303,434 1.31,435 1.948,436 3.013,437 1.217,438 2.568,439 1.222,440 3.609,441 2.053,442 1.076,443 1.486,445 2.926,446 1.048,447 2.362,448 0.965,449 3.414,450 1.795,451 0.83,452 1.237,454 1.963,455 0.798,456 2.154,457 0.781,458 3.168,459 1.623,460 0.653,461 0.978,463 1.537,464 0.632,465 16.033,466 0.486,467 0.849,468 0.026,469 51,470 1.545,471 29.5,472 0.894,473 21.5,474 0.652,475 23.818,476 0.722,477 31.367,478 0.653,479 40.844,480 1.238,481 10.102,482 0.306,483 5.978,484 0.181,485 0.083,487 0.399,491 1,493 0.542,494 0.927,495 0.514,496 0.782,497 0.516,498 0.724,499 0.631,500 1.013,501 0.643,502 0.878,503 0.575,504 0.849,505 0.882,506 1.05,507 0.852,508 0.98,509 0.794,510 0.938,511 0.917,512 0.847,513 0.927,514 0.943,515 0.879,516 0.999,517 0.683,518 0.719,519 0.827,520 0.922,521 0.761,522 0.963,523 0.762,524 0.916,525 0.836,526 1.009,527 0.878,528 1.015,529 0.816,530 0.945,531 0.979,532 0.976,533 0.747,534 1.005,535 1.09,536 1.215,537 1.214,538 1.197,539 1.043,540 1.124,541 6,542 0.206,543 4.444,544 2.063,545 2.471,546 1.354,547 0.891,548 0.661,549 0.422,550 0.294,551 15260,552 46369,553 2.203,554 31.3,556 13,558 2,564 1.757,565 2.084,566 3.471,567 -0.811,573 76.338,574 1.59,575 3.222,576 4.459,577 5.377,578 5.585,579 5.585,580 2.904,581 4.863,582 5.016,583 3.6,584 1900.76,585 8.813,586 26843.9,591 268.078,592 1.337,593 4.987,594 0.158,595 0.007,596 0.079,597 0.033,598 0.044,599 0.024,600 0.016,601 0.013,602 0.01,603 0.008,604 0.394,605 0.5,606 0.75,607 0.467,608 171.548,609 -0.014,610 -0.079,611 0.023,612 -0.016,613 -0.052,614 0.014,615 0.016,616 -0.116,617 -0.016,618 -0.079,619 -0.004,620 -0.076,621 0.002,622 -0.079,623 -0.006,624 -0.081,625 0.037,626 -0.053,627 -0.089,628 0.084,629 -0.107,630 -0.022,631 -0.091,632 -0.065,633 0.014,634 0.064,635 0.006,636 0.025,637 -0.022,638 0.021,639 0.073,640 -0.099,641 0.065,642 -0.052,643 0.035,644 -0.044,645 0.116,646 0.009,647 0.044,648 0.015,649 0.153,650 -0.001,651 -0.032,652 -0.207,653 -0.045,654 -0.16,655 -0.018,656 -0.083,657 2.202,658 5.971,659 0.909,660 30.334,661 1.014,662 1.102,663 4.522,664 20.448,665 0.762,666 3.664,667 4.043,668 4.394,669 4.718,670 5.069,671 5.215,672 5.425,673 5.631,674 5.832,675 5.938,676 6.601,677 0.743,678 451.9,679 3.664,680 5.242,681 6.133,682 7.043,683 7.952,684 8.867,685 9.783,686 10.702,687 11.62,688 12.541,689 6.3,696 1,699 2,703 4,704 13,705 2,709 7,711 28,730 2,731 48,733 30,734 3,735 38,737 53,738 27,739 24,740 8,741 10,742 3,746 6,747 10,748 1,761 27,766 2,771 1,773 2,775 1,779 1,781 15,782 5,784 6,785 1,790 3,794 0.5,795 1,805 2,812 6,816 3,827 1,831 2,840 3,845 1,846 1,848 33,859 1,869 2,870 2.1,873 1,877 15.833,878 9.052,879 7,880 2.871,881 5.864,882 1.647,883 1.088,884 4.548,885 14.922,886 4.007,887 4.705,888 5.396,889 6.059,890 6.749,891 7.178,892 7.715,893 8.264,894 8.816,895 9.218,896 0.875,897 62,898 12.208,900 5.486,901 7.837,902 22.988,904 19.666,905 2.337,906 77.111,910 176.567,911 183.117,912 36.695,913 39.149,914 25.145,915 14.96,917 183.117,918 240.86,919 51.655,921 3.124,922 123.191,923 86.963,924 55.221,925 14.96,926 153.024,927 39.149,928 176.567,929 219.812,930 40.105,931 39.149,933 191.527,934 25.145,937 25.507,938 141.781,939 91.672,941 191.527,942 61.84,943 222.265,946 176.567,947 41.831,948 144.41,950 112.825,951 176.567,952 76.8,953 222.265,955 0.596,956 0.362,957 0.199,958 0.118,959 31,960 13,961 0.038,962 2,963 3,964 1.2,965 4.29,966 342.022,967 0.2,968 30,969 166.465,974 19.752,975 7.598,976 3.303,977 3.518,978 76.8,979 23.819,980 9.149,984 3.297,987 475.632,988 54,993 12.971,995 3.222,997 -0.24,999 48.654,1000 52.894,1001 0.285,1002 0.577,1003 0.798,1004 0.963,1005 1,1006 1,1007 5.257,1008 1.743,1009 6.138,1010 5.521,1011 4.727,1012 5.394,1013 1.356,1014 7.008,1015 4.662,1016 6.505,1017 1.618,1018 7.731,1019 5.094,1020 4.369,1021 5.27,1022 0.325,1023 8.007,1024 4.249,1025 7.839,1026 1.557,1027 9.425,1028 4.5,1029 6.378,1030 7.71,1031 1.511,1032 11.154,1033 6.256,1034 9.21,1035 1.414,1036 11.177,1037 4.072,1038 6.836,1039 8.405,1040 0.653,1041 12.996,1042 6.66,1043 10.611,1044 1.31,1045 12.966,1046 3.528,1047 8.319,1048 10.306,1049 1.739,1050 15.675,1051 8.137,1052 12.034,1053 1.076,1054 14.783,1055 3.013,1056 9.155,1057 11.401,1058 1.001,1059 17.882,1060 8.926,1061 13.474,1062 0.83,1063 16.619,1064 2.926,1065 10.433,1066 13.071,1067 1.993,1068 20.414,1069 10.19,1070 3.339,1071 0.653,1072 18.47,1073 1.963,1074 11.447,1075 14.368,1076 1.37,1077 22.783,1078 11.164,1079 3.004,1080 12.276,1081 20.334,1082 1.537,1083 12.647,1084 15.936,1085 2.264,1086 25.277,1087 12.344,1088 2.862,1089 9.73,1090 22.208,1091 4.582,1092 13.745,1093 17.334,1094 1.754,1095 27.718,1096 13.407,1097 2.689,1098 9.3,1099 24.092,1100 4.347,1101 14.92,1102 18.859,1103 2.551,1104 30.207,1105 14.558,1106 2.511,1107 8.477,1108 25.984,1109 3.919,1110 16.059,1111 20.307,1112 2.143,1113 32.681,1114 15.664,1115 2.22,1116 8.002,1117 27.883,1118 3.622,1119 17.23,1120 21.815,1121 2.851,1122 35.174,1123 16.808,1124 1.929,1125 7.166,1126 29.788,1127 3.348,1128 18.39,1129 23.29,1130 2.535,1131 37.664,1132 17.936,1133 13880,1134 24395,1135 26.065,1136 36.597,1137 58.883,1138 60.458,1139 59.875,1140 58.177,1141 57.987,1142 81.154,1143 2.986,1144 175.306,1145 55.901,1146 5.527,1147 5.752,1148 6.771,1149 5.35,1150 5.339,1151 7.582,1152 2.293,1153 19.74,1154 5.234,1155 13.166,1156 1.55,1157 1.591,1158 1.576,1159 1.531,1160 1.526,1161 2.136,1162 0.079,1163 4.613,1164 1.471,1165 4.156,1166 4.18,1167 4.136,1168 4.092,1169 8.201,1170 4.097,1171 4.023,1172 4.051,1173 4.015,1174 3.952,1175 7.429,1176 3.957,1177 3.889,1178 3.911,1179 3.957,1180 3.824,1181 5.041,1182 3.823,1183 3.678,1184 3.701,1185 3.653,1186 3.601,1187 4.937,1188 3.602,1189 3.441,1190 3.478,1191 3.39,1192 3.341,1193 4.847,1194 3.342,1195 3.208,1196 3.25,1197 3.293,1198 3.052,1199 4.466,1200 3.067,1201 3.035,1202 3.084,1203 3.129,1204 2.905,1205 4.349,1206 2.912,1207 2.99,1208 3.05,1209 2.944,1210 2.859,1211 4.284,1212 2.858,1213 0.124,1214 0.099,1215 0.186,1216 0.113,1217 0.088,1218 4.695,1219 0.121,1220 3.752,1221 0.032,1222 7.084,1223 0.323,1224 4.307,1225 0.085,1226 3.339,1227 4.582,1228 1.2,1229 12.276,1230 3.234,1231 2.103,1232 2.083,1233 2.162,1234 2.18,1235 1.309,1236 2.175,1237 2.003,1238 1.979,1239 2.073,1240 2.092,1241 1.191,1242 2.088,1243 1.857,1244 1.838,1245 1.927,1246 1.944,1247 1.044,1248 1.945,1249 1.661,1250 1.638,1251 1.772,1252 1.762,1253 0.866,1254 1.765,1255 1.422,1256 1.388,1257 1.567,1258 1.554,1259 0.629,1260 1.558,1261 1.151,1262 1.113,1263 1.313,1264 1.341,1265 0.351,1266 1.33,1267 0.995,1268 0.95,1269 1.209,1270 1.164,1271 0.249,1272 1.176,1273 0.982,1274 0.926,1275 1.18,1276 1.153,1277 0.235,1278 1.168,1279 4.344,1281 5.707,1283 7.284,1285 8.958,1287 10.683,1290 6.029,1291 13.798,1300 1.549,1305 35.677,1306 76.338,1307 154.666,1308 214.024,1309 258.078,1310 268.078,1311 268.078,1312 53.793,1313 9.058,1314 47.78,1315 47.78,1316 36,1317 13.05,1318 4.954,1319 4.087,1320 43.022,1321 128,1322 142,1323 0.162,1324 215.403,1325 370.47,1326 517.342,1327 124461,1328 4.2,1329 22.526,1330 0.683,1331 0.543,1332 22.156,1333 17.922,1334 16.081,1335 0.423,1336 0.282,1337 10.271,1338 15.395,1339 10.044,1340 8.249,1341 15.959,1342 10.713,1343 14.949,1344 0.267,1345 0.147,1346 14.862,1347 8.223,1348 13.56,1349 0.169,1350 0.076,1351 13.16,1352 6.092,1353 11.571,1354 0.104,1355 0.039,1356 11.716,1357 4.375,1358 10.457,1359 0.066,1360 0.02,1361 10.448,1362 3.228,1363 0.248,1364 102.51,1365 0.196,1366 30.047,1367 0.461,1368 188,1369 574.985,1370 216.087,1371 573.566,1372 784.75,1373 536,1374 230,1375 566.987,1376 255.992,1377 583.429,1378 865.15,1379 552,1380 6.301}
{0 CHEMBL1765617,1 1.823,2 11.7,3 2.221,4 4.933,5 111.749,6 9.511,7 0.794,8 3.957,9 4.058,10 3.868,11 3.545,12 5.178,13 3.545,14 4.429,15 4.55,16 4.16,17 3.924,18 5.852,19 3.918,20 4.597,21 4.749,22 4.16,23 4.028,24 5.837,25 3.977,26 4.681,27 4.855,28 4.154,29 3.977,30 5.989,31 3.942,32 4.641,33 4.829,34 4.052,35 3.885,36 5.975,37 3.87,38 4.482,39 4.66,40 3.937,41 3.84,42 5.697,43 3.801,44 4.483,45 4.679,46 3.886,47 3.777,48 5.699,49 3.734,50 4.398,51 4.596,52 3.794,53 3.653,54 5.667,55 3.61,56 0.19,57 0.805,58 7.359,59 3.643,60 16.519,61 3.285,62 0.452,63 1.217,64 10.791,65 5.669,66 48.948,67 5.47,68 0.411,69 1.347,70 16.849,71 8.042,72 30.604,73 8.073,74 0.57,75 1.412,76 23.176,77 8.645,78 49.54,79 8.491,80 0.709,81 1.304,82 20.137,83 7.353,84 78.889,85 7.272,86 0.391,87 1.172,88 15.129,89 6.57,90 33.541,91 6.969,92 0.433,93 1.159,94 18.198,95 6.686,96 35.424,97 7.149,98 0.523,99 1.04,100 16.057,101 6.004,102 46.205,103 6.339,104 5,105 49,106 0.304,107 0.609,108 0.769,109 0.863,110 0.874,111 0.874,112 3.441,113 0.911,114 -3.74,115 -3.71,116 -3.53,119 43.2,142 8,143 2,144 2,145 3,149 1,151 1,152 1,161 1,166 1,168 2,172 8,174 4,175 4,178 3,180 1,183 7,186 2,187 9,190 1,192 3,195 4,198 3,199 9,202 1,204 3,207 1,211 4,212 10,215 1,217 2,220 2,224 11,227 1,229 3,232 4,236 1,237 8,242 2,245 5,249 4,250 4,253 1,255 1,258 5,262 1,263 2,266 3,271 5,275 1450,276 20.54,277 20.54,278 20.54,279 20.54,280 20.54,281 17.178,282 6.038,283 12.091,284 20.988,285 16.836,286 16.836,287 16.836,288 16.836,289 16.836,290 11.794,291 3.814,292 5.76,293 17.603,294 3.637,295 1.813,296 0.852,297 0.29,298 0.227,299 0.227,300 4.15,304 1,305 1,306 786,307 3.317,310 144.971,311 273.74,314 120.277,318 1.807,319 32.683,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 66,331 351,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.093,341 4.623,342 3.187,343 6.726,344 4.128,345 3.186,346 4.567,348 10.975,349 3.006,350 4.206,351 2.862,352 6.161,353 3.815,354 2.833,355 3.833,357 9.147,358 2.773,359 3.916,360 2.521,361 5.723,362 3.429,363 2.48,364 3.517,366 7.68,367 2.353,368 3.647,369 2.347,370 5.36,371 3.223,372 2.257,373 3.106,375 6.809,376 2.175,377 3.512,378 1.982,379 4.807,380 2.974,381 1.979,382 2.974,384 5.206,385 1.967,386 3.193,387 1.714,388 4.646,389 2.685,390 1.712,391 2.521,393 4.68,394 1.665,395 2.952,396 1.54,397 4.326,398 2.442,399 1.486,400 2.153,402 4.075,403 1.418,404 2.727,405 1.298,406 4.007,407 2.203,408 1.254,409 1.831,411 3.181,412 1.188,413 2.687,414 1.231,415 3.63,416 2.164,417 1.175,418 1.753,420 2.745,421 1.158,422 2.595,423 1.111,424 3.48,425 2.057,426 1.108,427 1.64,428 2.534,429 1.048,430 2.5,431 1,432 3.341,433 2,434 1,435 1.5,436 2.136,437 1,438 2.382,439 0.896,440 3.247,441 1.852,442 0.896,443 1.325,445 2.12,446 0.854,447 2.118,448 0.618,449 3.136,450 1.591,451 0.618,452 0.927,454 1.372,455 0.6,456 1.957,457 0.465,458 3.066,459 1.418,460 0.465,461 0.692,463 1.189,464 0.442,465 14.2,466 0.473,467 0.745,468 0.025,469 47.5,470 1.583,471 27.5,472 0.917,473 20,474 0.667,475 18.551,476 0.618,477 30.2,478 0.686,479 36.223,480 1.207,481 9.378,482 0.313,483 5.221,484 0.174,485 0.047,486 0.059,487 0.275,493 0.54,494 1.131,495 0.731,496 1.12,497 0.655,498 0.797,499 0.665,500 1.01,501 0.863,502 0.939,503 0.597,504 0.895,505 0.911,506 1.047,507 1.095,508 1.166,509 0.921,510 1.105,511 1.186,512 1.073,513 1.24,514 1.229,515 1.245,516 1.075,517 1.39,518 0.851,519 0.982,520 0.784,521 1.545,522 0.874,523 0.979,524 1.075,525 0.952,526 1.006,527 0.891,528 1.044,529 1.025,530 1.08,531 1.069,532 1.071,533 0.877,534 1.033,535 1.078,536 0.886,537 1.022,538 0.898,539 1.203,540 0.985,541 6,542 0.193,543 3.778,544 1.972,545 1.409,546 0.937,547 0.598,548 0.398,549 0.227,550 0.198,551 12790,552 41571,553 2.177,554 31.8,556 8,557 1,558 3,559 2,564 1.728,565 2.081,566 3.531,567 0.342,568 1,569 1,573 80.201,574 1.823,575 3.646,576 4.607,577 5.17,578 5.232,579 5.232,580 2.949,581 4.507,582 4.881,583 3.684,584 1602.36,585 8.509,586 22123.8,588 1,590 1,591 240.215,592 1.35,593 4.852,594 0.176,595 0.008,596 0.077,597 0.042,598 0.031,599 0.022,600 0.015,601 0.011,602 0.007,603 0.007,604 0.396,605 0.33,606 0.88,607 0.424,608 154.114,609 0.144,610 0.01,611 0.194,612 -0.079,613 -0.141,614 0.021,615 0.206,616 0.075,617 -0.054,618 -0.009,619 0.22,620 -0.076,621 -0.058,622 -0.058,623 -0.093,624 -0.107,625 -0.034,626 -0.13,627 -0.116,628 -0.101,629 -0.118,630 -0.146,631 -0.057,632 -0.076,633 -0.167,634 0.091,635 -0.042,636 0.145,637 -0.152,638 0.091,639 -0.131,640 -0.112,641 -0.06,642 -0.058,643 -0.079,644 -0.061,645 -0.133,646 -0.121,647 -0.05,648 -0.068,649 -0.032,650 -0.01,651 -0.015,652 0.066,653 -0.027,654 0.068,655 -0.097,656 0.015,657 4.623,658 5.591,659 0.867,660 28.356,661 1.027,662 1.127,663 2.514,664 6.321,665 0.725,666 3.555,667 3.912,668 4.205,669 4.489,670 4.673,671 4.787,672 4.963,673 5.088,674 5.182,675 5.303,676 6.926,677 0.713,678 418.48,679 3.555,680 5.118,681 5.984,682 6.88,683 7.762,684 8.662,685 9.55,686 10.452,687 11.343,688 12.246,689 18.2,694 1,697 2,699 5,703 1,704 12,705 5,706 1,709 6,711 27,731 44,733 29,734 1,735 34,737 48,738 19,739 19,740 1,741 5,746 5,747 6,761 19,766 2,769 1,771 2,778 1,781 14,782 8,783 2,784 11,785 1,787 1,790 8,794 0.8,795 2,805 2,811 2,812 3,815 1,840 4,842 1,848 30,852 1,855 1,870 4.5,873 2,877 14.417,878 7.95,879 6.403,880 2.372,881 4.853,882 1.598,883 1.063,884 4.509,885 12.964,886 3.922,887 4.61,888 5.226,889 5.864,890 6.373,891 6.768,892 7.289,893 7.74,894 8.115,895 8.562,896 0.875,897 47,898 11.236,900 5.138,901 7.919,902 20.567,904 17.152,905 2.419,906 72.583,910 141.253,911 135.286,912 117.67,914 44.313,916 5.807,917 129.478,918 185.566,919 117.67,922 90.665,923 181.184,924 57.976,925 14.528,926 94.169,928 141.253,929 247.148,930 44.313,931 5.807,933 143.581,934 44.313,937 46.685,938 98.293,939 105.65,941 141.253,942 161.982,943 135.286,945 5.807,946 141.253,947 17.479,948 113.286,949 32.945,950 127.751,951 141.253,952 161.982,953 135.286,955 0.588,956 0.345,957 0.19,958 0.096,959 26,960 10,961 0.104,962 5,963 1,964 1.077,965 4.2,966 279.231,967 0.077,968 26,969 139.207,973 1,974 18.432,975 7.338,976 3.579,977 0.715,978 144.156,979 20.266,980 20.089,981 2.444,984 3.188,986 32.945,987 438.521,988 49.5,991 -3.706,993 25.183,999 45.196,1000 49.571,1001 0.334,1002 0.668,1003 0.844,1004 0.947,1005 0.958,1006 0.958,1007 5.152,1008 1.486,1009 5.994,1010 4.68,1011 4.595,1012 5.298,1014 6.858,1015 4.504,1016 6.405,1017 1.254,1018 7.586,1019 4.075,1020 4.29,1021 5.27,1023 8.032,1024 4.106,1025 7.756,1026 1.175,1027 9.294,1028 3.181,1029 6.275,1030 7.656,1032 11.099,1033 6.063,1034 9.153,1035 1.108,1036 11.075,1037 2.745,1038 6.836,1039 8.501,1041 13.12,1042 6.511,1043 10.587,1044 1,1045 12.903,1046 2.534,1047 8.297,1048 10.343,1050 15.764,1051 7.938,1052 12.049,1053 0.896,1054 14.765,1055 2.136,1056 9.224,1057 11.57,1059 18.084,1060 8.752,1061 13.531,1062 0.618,1063 16.651,1064 2.12,1065 10.501,1066 13.214,1068 20.616,1069 9.979,1070 3.391,1071 0.465,1072 18.553,1073 1.372,1074 11.583,1075 14.61,1077 23.048,1078 10.955,1079 3.186,1080 12.507,1081 20.469,1082 1.189,1083 12.798,1084 16.18,1086 25.553,1087 12.104,1088 2.833,1089 10.975,1090 22.396,1091 4.704,1092 13.945,1093 17.651,1095 28.028,1096 13.152,1097 2.48,1098 9.147,1099 24.331,1100 4.567,1101 15.142,1102 19.195,1104 30.53,1105 14.273,1106 2.257,1107 7.68,1108 26.273,1109 3.833,1110 16.317,1111 20.7,1113 33.024,1114 15.354,1115 1.979,1116 6.809,1117 28.221,1118 3.517,1119 17.512,1120 22.236,1122 35.53,1123 16.466,1124 1.712,1125 5.206,1126 30.173,1127 3.106,1128 18.701,1129 23.757,1131 38.034,1132 17.562,1133 11743,1134 21378,1135 23.345,1136 31.887,1137 52.064,1138 52.215,1139 51.693,1140 51.733,1141 51.677,1142 74.087,1144 152.713,1145 49.484,1146 5.682,1147 6.685,1148 7.11,1149 5.368,1150 5.391,1151 7.704,1153 19.85,1154 5.093,1155 9.844,1156 1.531,1157 1.536,1158 1.52,1159 1.522,1160 1.52,1161 2.179,1163 4.492,1164 1.455,1165 4.158,1166 4.202,1167 4.736,1168 4.078,1169 7.717,1170 4.041,1171 4.063,1172 4.051,1173 4.12,1174 3.984,1175 6.999,1176 3.954,1177 3.841,1178 3.89,1179 3.804,1180 3.721,1181 5.285,1182 3.735,1183 3.709,1184 3.798,1185 3.681,1186 3.52,1187 5.016,1188 3.48,1189 3.581,1190 3.568,1191 3.656,1192 3.39,1193 4.86,1194 3.405,1195 3.272,1196 3.322,1197 3.211,1198 3.076,1199 4.714,1200 3.113,1201 2.932,1202 2.992,1203 2.835,1204 2.802,1205 4.261,1206 2.801,1207 2.854,1208 2.925,1209 2.695,1210 2.735,1211 3.945,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.855,1219 0.138,1220 4.685,1222 7.308,1223 0.368,1224 4.31,1225 0.091,1226 3.391,1227 4.704,1229 12.507,1230 3.093,1231 1.991,1232 1.983,1233 2.044,1234 2.104,1235 1.188,1236 2.103,1237 1.938,1238 1.922,1239 1.994,1240 2.02,1241 1.143,1242 2.045,1243 1.727,1244 1.687,1245 1.811,1246 1.879,1247 0.894,1248 1.87,1249 1.497,1250 1.459,1251 1.577,1252 1.685,1253 0.632,1254 1.653,1255 1.404,1256 1.429,1257 1.247,1258 1.597,1259 0.555,1260 1.598,1261 1.084,1262 0.981,1263 1.222,1264 1.558,1265 0.238,1266 1.509,1267 1.008,1268 0.923,1269 1.181,1270 1.227,1271 0.218,1272 1.193,1273 0.886,1274 0.821,1275 1.101,1276 1.062,1277 0.064,1278 1.107,1279 4.234,1281 5.58,1282 3.045,1283 7.117,1284 5.283,1285 8.739,1286 7.298,1287 10.405,1296 2.569,1305 31.368,1306 80.201,1307 160.441,1308 202.705,1309 227.46,1310 230.215,1311 230.215,1312 47.172,1313 8.111,1314 130.82,1315 139.2,1316 28,1317 12.768,1318 4.907,1319 4.044,1320 41.65,1321 125,1322 120,1323 0.161,1324 194.407,1325 313.37,1326 466.113,1327 41042,1329 20.554,1330 0.685,1331 0.538,1332 20.804,1333 16.153,1334 14.599,1335 0.429,1336 0.304,1337 8.816,1338 13.167,1339 8.563,1340 7.101,1341 15.42,1342 10.326,1343 13.603,1344 0.278,1345 0.165,1346 14.904,1347 8.088,1348 11.53,1349 0.175,1350 0.089,1351 12.634,1352 5.855,1353 9.945,1354 0.113,1355 0.047,1356 10.986,1357 4.11,1358 7.568,1359 0.071,1360 0.025,1361 8.421,1362 2.691,1363 0.254,1364 100.588,1365 0.207,1366 28.324,1367 0.438,1368 166,1369 542.868,1370 221.203,1371 551.895,1372 760.69,1373 510,1374 198,1375 555.848,1376 263.328,1377 596.8,1378 865.35,1379 558,1380 9.097}
{0 CHEMBL1765618,1 1.725,2 12.29,3 2.435,4 5.928,5 118.874,6 8.376,7 0.629,8 4.086,9 4.184,10 3.895,11 3.659,12 5.162,13 3.638,14 4.632,15 4.775,16 4.19,17 4.048,18 5.893,19 4.018,20 4.853,21 5.036,22 4.232,23 4.19,24 5.953,25 4.116,26 4.893,27 5.092,28 4.179,29 4.162,30 6.027,31 4.083,32 4.893,33 5.112,34 4.105,35 4.097,36 6.056,37 4.031,38 4.746,39 4.942,40 4.027,41 4.054,42 5.837,43 3.977,44 4.705,45 4.914,46 3.946,47 3.985,48 5.778,49 3.897,50 4.632,51 4.837,52 3.857,53 3.891,54 5.732,55 3.796,56 0.109,57 0.834,58 11.62,59 4.812,60 16.851,61 5.369,62 0.502,63 1.346,64 20.087,65 7.824,66 56.477,67 8.925,68 0.491,69 1.616,70 28.638,71 10.722,72 42.677,73 12.545,74 0.435,75 1.649,76 32.594,77 11.247,78 56.555,79 13.424,80 0.698,81 1.585,82 31.009,83 10.259,84 80.333,85 12.743,86 0.386,87 1.411,88 24.511,89 9.532,90 40.376,91 11.866,92 0.38,93 1.354,94 25.841,95 9.351,96 41.251,97 11.701,98 0.43,99 1.218,100 23.195,101 8.902,102 45.217,103 11.072,104 5,105 50,106 0.282,107 0.6,108 0.752,109 0.83,110 0.839,111 0.839,112 3.472,113 0.978,114 -2.91,115 -2.92,116 -2.82,119 42.3,125 4,142 8,143 2,144 2,145 3,151 1,153 1,161 1,172 8,174 3,175 4,178 2,180 1,183 7,186 2,187 9,190 1,192 3,195 4,199 11,204 3,207 1,211 4,212 8,217 2,220 2,223 1,224 6,227 1,229 1,232 4,236 2,237 6,245 5,249 2,250 5,253 2,258 5,263 3,271 5,275 1595,276 21.247,277 21.247,278 21.247,279 21.247,280 21.247,281 18.468,282 16.492,283 12.591,284 21.893,285 17.336,286 17.336,287 17.336,288 17.336,289 17.336,290 13.094,291 18.676,292 6.01,293 18.398,294 3.975,295 2.034,296 1.106,297 0.63,298 0.577,299 0.577,300 4.183,304 1,305 1,306 848,307 3.317,310 71.362,311 376.895,314 124.305,318 1.894,319 32.751,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 67.5,331 381,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 0.86,339 12.507,340 3.093,341 4.6,342 3.299,343 6.726,344 4.115,345 3.184,346 4.533,347 0.8,348 10.974,349 2.979,350 4.189,351 2.91,352 6.16,353 3.807,354 2.831,355 3.811,357 9.146,358 2.744,359 3.734,360 2.669,361 5.719,362 3.402,363 2.469,364 3.145,366 7.668,367 2.308,368 3.596,369 2.397,370 5.36,371 3.217,372 2.255,373 3.018,375 6.808,376 2.159,377 3.501,378 2.187,379 4.807,380 2.974,381 1.979,382 2.852,384 5.206,385 1.966,386 3.02,387 1.981,388 4.637,389 2.672,390 1.748,391 2.171,393 4.655,394 1.613,395 2.949,396 1.553,397 4.324,398 2.442,399 1.486,400 2.118,402 4.074,403 1.417,404 2.705,405 1.538,406 4.007,407 2.234,408 1.327,409 1.786,411 3.26,412 1.199,413 2.678,414 1.286,415 3.63,416 2.172,417 1.189,418 1.74,420 2.75,421 1.164,422 2.575,423 1.256,424 3.502,425 2.072,426 1.141,427 1.606,428 2.61,429 1.058,430 2.5,431 1.183,432 3.476,433 2,434 1,435 1.5,436 2.476,437 1,438 2.318,439 1.05,440 3.247,441 1.952,442 1,443 1.283,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.93,451 1,452 1,454 2.136,455 0.925,456 1.931,457 0.591,458 3.206,459 1.474,460 0.532,461 0.734,463 1.343,464 0.499,465 14.833,466 0.478,467 0.745,468 0.024,469 45.25,470 1.46,471 24,472 0.774,473 21.25,474 0.685,475 22.27,476 0.718,477 32.567,478 0.626,479 35.116,480 1.133,481 8.832,482 0.285,483 6.267,484 0.202,485 0.045,486 0.056,487 0.256,493 0.659,494 1.456,495 0.766,496 1.236,497 0.656,498 0.926,499 0.987,500 1.041,501 0.921,502 0.893,503 0.625,504 0.884,505 1.029,506 1.037,507 1.053,508 1.002,509 0.858,510 0.992,511 1.05,512 1.186,513 1.143,514 1.161,515 1.108,516 1.053,517 1.153,518 0.836,519 0.912,520 0.762,521 1.34,522 0.855,523 0.868,524 1.035,525 0.912,526 0.989,527 0.789,528 1.037,529 0.855,530 0.999,531 0.985,532 1.037,533 0.774,534 1.024,535 0.845,536 0.988,537 0.928,538 1.005,539 1.033,540 1.059,541 6,542 0.202,543 3.778,544 2.132,545 1.441,546 1.004,547 0.638,548 0.432,549 0.218,550 0.209,551 13934,552 39058,553 2.172,554 40.4,556 16,557 1,558 3,559 1,564 1.736,565 2.078,566 3.594,567 -0.297,569 1,573 89.712,574 1.725,575 3.666,576 4.594,577 5.071,578 5.124,579 5.124,580 3.05,581 4.503,582 4.927,583 3.733,584 1736.04,585 8.604,586 24597.5,588 1,590 1,591 296.423,592 1.327,593 4.9,594 0.171,595 0.007,596 0.076,597 0.043,598 0.031,599 0.022,600 0.015,601 0.011,602 0.006,603 0.007,604 0.39,605 0.33,606 0.88,607 0.415,608 161.161,609 0.056,610 -0.294,611 0.209,612 -0.148,613 -0.132,614 -0.012,615 0.07,616 0.067,617 -0.027,618 0.054,619 0.203,620 -0.003,621 -0.083,622 0.005,623 -0.058,624 0.003,625 -0.011,626 -0.038,627 -0.121,628 -0.167,629 -0.086,630 -0.129,631 -0.01,632 -0.074,633 -0.063,634 0.154,635 0.004,636 0.136,637 -0.067,638 0.093,639 -0.026,640 -0.041,641 -0.04,642 -0.055,643 -0.026,644 -0.067,645 -0.029,646 -0.009,647 -0.03,648 -0.059,649 0.008,650 -0.032,651 0.078,652 -0.034,653 -0.002,654 -0.044,655 -0.033,656 -0.066,657 4.6,658 5.642,659 0.871,660 30.466,661 1.012,662 1.122,663 1.682,664 2.83,665 0.695,666 3.584,667 3.932,668 4.22,669 4.5,670 4.727,671 4.804,672 4.99,673 5.124,674 5.226,675 5.361,676 7.131,677 0.666,678 435.55,679 3.584,680 5.142,681 6.004,682 6.897,683 7.775,684 8.673,685 9.559,686 10.459,687 11.348,688 12.25,689 9.6,694 1,695 1,697 1,699 2,703 1,704 12,705 2,709 5,711 22,726 1,731 52,733 24,734 1,735 35,737 56,738 22,739 18,740 1,741 5,746 5,747 6,761 18,762 4,766 2,769 1,771 2,778 1,781 21,782 7,783 1,784 9,785 1,787 1,790 5,794 0.8,795 3,805 2,811 1,812 4,815 1,839 1,840 4,842 1,848 31,852 1,854 4,855 1,856 1,859 1,870 5.8,873 2,874 1,877 14.917,878 9.217,879 6.653,880 2.986,881 4.158,882 1.506,883 1.04,884 5.362,885 12.381,886 3.892,887 4.546,888 5.134,889 5.748,890 6.29,891 6.624,892 7.121,893 7.548,894 7.882,895 8.317,896 1,897 50,898 11.693,900 5.303,901 7.788,902 21.935,904 18.502,905 2.288,906 70.917,909 1,910 235.422,911 145.925,912 54.387,914 55.313,916 5.807,917 140.118,918 290.735,919 54.387,921 13.396,922 90.665,923 142.318,924 44.56,925 11.771,926 188.338,928 235.422,929 194.505,930 55.313,931 5.807,933 235.422,934 44.313,935 11,937 45.868,938 98.66,939 55.783,941 235.422,942 109.7,943 145.925,945 5.807,946 235.422,947 28.118,948 116.41,949 16.405,950 88.884,951 235.422,952 109.7,953 145.925,955 0.585,956 0.342,957 0.189,958 0.102,959 26,960 10,961 0.089,962 5,963 1,964 1.074,965 4.278,966 290.815,967 0.074,968 27,969 143.58,973 1,974 20.007,975 8.309,976 4.147,977 0.846,978 108.413,979 21.028,980 8.742,984 3.329,986 16.405,987 491.047,988 48,991 -3.683,993 25.284,999 52.636,1000 58.361,1001 0.303,1002 0.643,1003 0.806,1004 0.889,1005 0.899,1006 0.899,1007 5.133,1008 1.486,1009 6.009,1010 4.655,1011 4.615,1012 5.234,1013 1.235,1014 6.866,1015 4.501,1016 6.367,1017 1.327,1018 7.596,1019 4.074,1020 4.29,1021 5.231,1022 0.325,1023 8.032,1024 4.089,1025 7.713,1026 1.189,1027 9.3,1028 3.26,1029 6.286,1030 7.569,1031 0.938,1032 11.101,1033 6.04,1034 9.105,1035 1.141,1036 11.078,1037 2.75,1038 6.825,1039 8.437,1040 0.268,1041 13.118,1042 6.472,1043 10.537,1044 1,1045 12.905,1046 2.61,1047 8.302,1048 10.265,1049 0.732,1050 15.764,1051 7.902,1052 11.998,1053 1,1054 14.766,1055 2.476,1056 9.216,1057 11.507,1058 0.188,1059 18.084,1060 8.705,1061 13.48,1062 1,1063 16.651,1064 2.136,1065 10.502,1066 13.148,1067 0.57,1068 20.616,1069 9.933,1070 3.391,1071 0.532,1072 18.553,1073 2.136,1074 11.577,1075 14.553,1076 0.125,1077 23.047,1078 10.902,1079 3.184,1080 12.507,1081 20.469,1082 1.343,1083 12.797,1084 16.123,1085 0.438,1086 25.552,1087 12.051,1088 2.831,1089 10.974,1090 22.395,1091 4.704,1092 13.94,1093 17.599,1094 0.082,1095 28.027,1096 13.095,1097 2.469,1098 9.146,1099 24.331,1100 4.533,1101 15.14,1102 19.143,1103 0.334,1104 30.529,1105 14.214,1106 2.255,1107 7.668,1108 26.273,1109 3.811,1110 16.314,1111 20.65,1112 0.054,1113 33.024,1114 15.292,1115 1.979,1116 6.808,1117 28.22,1118 3.145,1119 17.509,1120 22.186,1121 0.252,1122 35.529,1123 16.401,1124 1.748,1125 5.206,1126 30.173,1127 3.018,1128 18.697,1129 23.707,1130 0.035,1131 38.034,1132 17.495,1133 12837,1134 21680,1135 24.038,1136 36.131,1137 53.16,1138 53.892,1139 53.419,1140 53.091,1141 53.062,1142 72.003,1143 3.32,1144 155.496,1145 50.139,1146 5.855,1147 6.685,1148 7.11,1149 5.414,1150 5.391,1151 7.704,1152 1.72,1153 19.85,1154 5.093,1155 10.101,1156 1.519,1157 1.54,1158 1.526,1159 1.517,1160 1.516,1161 2.057,1162 0.095,1163 4.443,1164 1.433,1165 4.155,1166 4.196,1167 4.736,1168 4.078,1169 7.717,1170 4.037,1171 4.061,1172 4.049,1173 4.109,1174 3.978,1175 6.999,1176 3.951,1177 3.834,1178 3.875,1179 3.786,1180 3.717,1181 5.065,1182 3.73,1183 3.713,1184 3.766,1185 3.667,1186 3.532,1187 4.866,1188 3.526,1189 3.583,1190 3.569,1191 3.594,1192 3.484,1193 4.714,1194 3.429,1195 3.293,1196 3.335,1197 3.223,1198 3.163,1199 4.609,1200 3.167,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.268,1206 2.91,1207 2.951,1208 3.008,1209 2.859,1210 2.821,1211 3.945,1212 2.818,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.855,1219 0.134,1220 4.685,1221 0.025,1222 7.308,1223 0.357,1224 4.31,1225 0.088,1226 3.391,1227 4.704,1228 0.86,1229 12.507,1230 3.093,1231 1.991,1232 1.983,1233 2.048,1234 2.112,1235 1.231,1236 2.106,1237 1.939,1238 1.922,1239 1.995,1240 2.026,1241 1.172,1242 2.052,1243 1.75,1244 1.703,1245 1.919,1246 1.949,1247 1.125,1248 1.945,1249 1.676,1250 1.627,1251 1.799,1252 1.857,1253 0.88,1254 1.85,1255 1.404,1256 1.434,1257 1.513,1258 1.558,1259 0.825,1260 1.599,1261 1.319,1262 1.268,1263 1.471,1264 1.532,1265 0.566,1266 1.517,1267 1.153,1268 1.064,1269 1.225,1270 1.376,1271 0.532,1272 1.429,1273 0.968,1274 0.93,1275 1.181,1276 1.152,1277 0.242,1278 1.142,1279 4.263,1281 5.602,1282 2.398,1283 7.143,1284 4.727,1285 8.768,1286 6.843,1287 10.435,1295 3.021,1296 2.608,1297 5.452,1300 2.246,1305 34.653,1306 89.712,1307 190.648,1308 238.913,1309 263.668,1310 266.423,1311 266.423,1312 50.278,1313 8.224,1314 88.83,1315 97.21,1316 29,1317 12.773,1318 4.644,1319 3.807,1320 43.681,1321 133,1322 128,1323 0.159,1324 212.652,1325 357.24,1326 510.631,1327 47736,1329 21.261,1330 0.686,1331 0.564,1332 21.511,1333 17.495,1334 15.099,1335 0.431,1336 0.326,1337 9.894,1338 13.695,1339 9.609,1340 7.899,1341 15.92,1342 11.415,1343 13.957,1344 0.279,1345 0.179,1346 15.257,1347 8.925,1348 11.78,1349 0.176,1350 0.098,1351 12.884,1352 6.596,1353 10.122,1354 0.114,1355 0.053,1356 11.163,1357 4.687,1358 8.18,1359 0.073,1360 0.028,1361 9.034,1362 3.171,1363 0.25,1364 103.254,1365 0.204,1366 29.141,1367 0.431,1368 170,1369 514.98,1370 224.168,1371 515.889,1372 709.18,1373 480,1374 202,1375 501.007,1376 266.072,1377 542.752,1378 794.8,1379 509,1380 7.444}
{0 CHEMBL1765619,1 1.633,2 12.29,3 4.27,4 18.234,5 121.132,6 8.705,7 0.8,8 4.018,9 4.107,10 3.866,11 3.686,12 5.156,13 3.651,14 4.504,15 4.619,16 4.158,17 4.065,18 5.846,19 4.021,20 4.736,21 4.898,22 4.203,23 4.185,24 5.902,25 4.105,26 4.789,27 4.971,28 4.156,29 4.126,30 6.002,31 4.054,32 4.754,33 4.946,34 4.073,35 4.059,36 6.001,37 4.002,38 4.626,39 4.807,40 3.988,41 4.037,42 5.762,43 3.959,44 4.622,45 4.821,46 3.917,47 3.98,48 5.744,49 3.889,50 4.533,51 4.729,52 3.823,53 3.875,54 5.694,55 3.78,56 0.082,57 0.714,58 9.753,59 4.362,60 14.871,61 4.61,62 0.3,63 1.149,64 14.495,65 6.88,66 46.352,67 7.662,68 0.208,69 1.429,70 22.806,71 9.9,72 33.407,73 11.118,74 0.308,75 1.514,76 28.127,77 10.532,78 51.325,79 11.364,80 0.499,81 1.44,82 24.752,83 9.302,84 73.511,85 10.253,86 0.217,87 1.271,88 19.809,89 8.512,90 32.227,91 10.057,92 0.256,93 1.28,94 22.557,95 8.834,96 37.518,97 10.473,98 0.322,99 1.134,100 19.839,101 8.165,102 40.885,103 9.711,104 5,105 50,106 0.267,107 0.481,108 0.661,109 0.805,110 0.852,111 0.859,112 3.472,113 0.955,114 -4.23,115 -4.17,116 -3.94,119 49,142 13,143 3,144 2,145 3,151 1,152 1,161 1,172 14,174 2,175 5,178 2,180 1,183 13,187 12,190 1,192 3,195 7,199 13,204 3,207 3,211 3,212 9,217 2,220 8,224 6,227 1,229 1,232 13,236 1,237 5,245 13,249 2,250 5,253 1,255 1,258 9,263 4,268 2,271 6,275 1595,276 21.247,277 21.247,278 21.247,279 21.247,280 21.247,281 17.755,282 6.038,283 12.591,284 21.625,285 17.336,286 17.336,287 17.336,288 17.336,289 17.336,290 12.127,291 3.814,292 6.01,293 17.989,294 3.982,295 2.676,296 1.574,297 0.699,298 0.408,299 0.367,300 4.183,304 1,305 1,306 848,307 3.317,310 71.362,311 376.895,314 124.305,318 1.894,319 28.401,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66,331 381,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.094,341 4.621,342 3.185,343 6.726,344 4.134,345 3.184,346 4.566,348 10.974,349 3.028,350 4.205,351 2.861,352 6.16,353 3.819,354 2.831,355 3.831,357 9.146,358 2.794,359 3.902,360 2.512,361 5.719,362 3.443,363 2.469,364 3.493,366 7.668,367 2.396,368 3.646,369 2.342,370 5.36,371 3.226,372 2.255,373 3.105,375 6.808,376 2.184,377 3.512,378 1.982,379 4.807,380 2.974,381 1.979,382 2.974,384 5.206,385 1.968,386 3.227,387 1.75,388 4.637,389 2.731,390 1.748,391 2.568,393 4.655,394 1.717,395 2.953,396 1.54,397 4.324,398 2.442,399 1.486,400 2.155,402 4.074,403 1.418,404 2.805,405 1.338,406 4.007,407 2.296,408 1.327,409 1.948,411 3.26,412 1.284,413 2.694,414 1.272,415 3.63,416 2.175,417 1.189,418 1.764,420 2.75,421 1.17,422 2.637,423 1.15,424 3.502,425 2.085,426 1.141,427 1.699,428 2.61,429 1.073,430 2.5,431 1,432 3.476,433 2,434 1,435 1.5,436 2.476,437 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 1.962,451 1,452 1.5,454 2.136,455 0.959,456 2.015,457 0.532,458 3.206,459 1.493,460 0.532,461 0.784,463 1.343,464 0.51,465 15.1,466 0.487,467 0.745,468 0.024,469 49.5,470 1.597,471 29.5,472 0.952,473 20,474 0.645,475 19.399,476 0.626,477 30.5,478 0.622,479 37.988,480 1.225,481 9.723,482 0.314,483 5.376,484 0.173,485 0.044,486 0.055,487 0.258,493 0.533,494 1.207,495 0.758,496 1.092,497 0.663,498 0.822,499 0.646,500 1.075,501 0.891,502 0.963,503 0.584,504 0.935,505 0.959,506 1.12,507 1.052,508 1.092,509 0.878,510 1.036,511 1.32,512 1.159,513 1.205,514 1.148,515 1.216,516 1.017,517 1.467,518 0.848,519 0.96,520 0.767,521 1.496,522 0.85,523 0.911,524 1.007,525 0.929,526 0.959,527 0.823,528 1.007,529 0.917,530 0.994,531 1.021,532 1.018,533 0.809,534 1.009,535 0.926,536 0.961,537 0.958,538 0.957,539 1.089,540 1.019,541 6,542 0.202,543 3.778,544 2.132,545 1.441,546 1.004,547 0.638,548 0.432,549 0.218,550 0.209,551 13934,552 38767,553 2.172,554 36.7,556 13,557 1,558 3,559 1,564 1.736,565 2.078,566 3.594,567 -0.361,569 1,573 80.023,574 1.633,575 2.939,576 4.041,577 4.915,578 5.207,579 5.247,580 3.05,581 4.503,582 4.927,583 3.733,584 1736.04,585 8.604,586 24597.5,588 1,591 275.121,592 1.327,593 4.9,594 0.171,595 0.007,596 0.076,597 0.043,598 0.031,599 0.022,600 0.015,601 0.011,602 0.006,603 0.007,604 0.39,605 0.17,606 0.88,607 0.415,608 161.161,609 0.11,610 -0.159,611 0.203,612 -0.095,613 -0.164,614 0.018,615 0.266,616 -0.028,617 -0.047,618 -0.06,619 0.233,620 -0.104,621 -0.053,622 -0.119,623 -0.053,624 -0.094,625 -0.012,626 -0.094,627 -0.149,628 -0.136,629 -0.101,630 -0.113,631 -0.033,632 -0.055,633 -0.116,634 0.173,635 -0.034,636 0.147,637 -0.104,638 0.082,639 -0.066,640 -0.02,641 -0.054,642 -0.039,643 -0.047,644 -0.056,645 -0.047,646 -0.002,647 -0.041,648 -0.042,649 -0.005,650 -0.017,651 0.089,652 0.002,653 -0.006,654 0.005,655 -0.046,656 -0.029,657 4.603,658 5.64,659 0.871,660 30.466,661 1.007,662 1.107,663 3.003,664 9.017,665 0.733,666 3.584,667 3.932,668 4.22,669 4.5,670 4.727,671 4.804,672 4.99,673 5.124,674 5.226,675 5.361,676 7.131,677 0.702,678 426.53,679 3.584,680 5.142,681 6.004,682 6.897,683 7.775,684 8.673,685 9.559,686 10.459,687 11.348,688 12.25,689 8.2,694 1,697 1,699 2,703 1,704 17,705 2,709 6,711 28,731 49,733 30,734 2,735 35,737 53,738 24,739 24,740 2,741 10,746 5,747 6,761 24,766 2,769 1,771 2,778 1,781 18,782 5,783 1,784 7,785 1,787 1,790 4,794 0.8,795 2,805 2,811 1,812 4,815 1,840 4,842 1,848 31,852 1,855 1,870 4.1,873 2,877 14.917,878 8.767,879 6.653,880 2.743,881 5.124,882 1.623,883 1.064,884 4.929,885 13.347,886 3.951,887 4.632,888 5.244,889 5.878,890 6.448,891 6.786,892 7.319,893 7.784,894 8.175,895 8.642,896 1,897 50,898 11.654,900 5.29,901 7.793,902 21.738,904 18.289,905 2.293,906 71.083,909 1,910 200.109,911 183.525,912 51.263,914 44.313,916 5.807,917 177.717,918 244.422,919 51.263,922 138.046,923 131.318,924 42.293,925 14.528,926 153.024,928 200.109,929 228.98,930 44.313,931 5.807,933 200.109,934 44.313,937 30.144,938 148.86,939 55.783,941 200.109,942 95.575,943 183.525,945 5.807,946 200.109,947 18.336,948 160.667,949 16.405,950 77.884,951 200.109,952 95.575,953 183.525,955 0.585,956 0.342,957 0.189,958 0.102,959 26,960 10,961 0.094,962 5,963 1,964 1.074,965 4.278,966 290.815,967 0.074,968 27,969 143.58,973 1,974 19.347,975 7.897,976 3.902,977 0.83,978 94.289,979 30.979,980 8.72,984 4.336,986 16.405,987 479.209,988 51,991 -3.686,993 25.279,999 49.323,1000 54.238,1001 0.291,1002 0.523,1003 0.72,1004 0.875,1005 0.927,1006 0.935,1007 5.176,1008 1.486,1009 6.009,1010 4.655,1011 4.615,1012 5.321,1014 6.866,1015 4.538,1016 6.426,1017 1.327,1018 7.596,1019 4.074,1020 4.29,1021 5.27,1023 8.032,1024 4.124,1025 7.772,1026 1.189,1027 9.3,1028 3.26,1029 6.286,1030 7.67,1032 11.101,1033 6.102,1034 9.164,1035 1.141,1036 11.078,1037 2.75,1038 6.825,1039 8.485,1041 13.118,1042 6.528,1043 10.594,1044 1,1045 12.905,1046 2.61,1047 8.302,1048 10.352,1050 15.764,1051 7.981,1052 12.053,1053 1,1054 14.766,1055 2.476,1056 9.216,1057 11.557,1059 18.084,1060 8.78,1061 13.533,1062 1,1063 16.651,1064 2.136,1065 10.502,1066 13.218,1068 20.616,1069 10.024,1070 3.391,1071 0.532,1072 18.553,1073 2.136,1074 11.577,1075 14.601,1077 23.047,1078 10.992,1079 3.184,1080 12.507,1081 20.469,1082 1.343,1083 12.797,1084 16.181,1086 25.552,1087 12.151,1088 2.831,1089 10.974,1090 22.395,1091 4.704,1092 13.94,1093 17.646,1095 28.027,1096 13.196,1097 2.469,1098 9.146,1099 24.331,1100 4.566,1101 15.14,1102 19.194,1104 30.529,1105 14.324,1106 2.255,1107 7.668,1108 26.273,1109 3.831,1110 16.314,1111 20.696,1113 33.024,1114 15.404,1115 1.979,1116 6.808,1117 28.22,1118 3.493,1119 17.509,1120 22.234,1122 35.529,1123 16.52,1124 1.748,1125 5.206,1126 30.173,1127 3.105,1128 18.697,1129 23.754,1131 38.034,1132 17.617,1133 12837,1134 21609,1135 24.038,1136 35.909,1137 53.426,1138 53.691,1139 53.419,1140 53.12,1141 53.062,1142 76.18,1144 155.496,1145 51.188,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1153 19.85,1154 5.094,1155 10.101,1156 1.526,1157 1.534,1158 1.526,1159 1.518,1160 1.516,1161 2.177,1163 4.443,1164 1.463,1165 4.165,1166 4.203,1167 4.736,1168 4.084,1169 7.717,1170 4.06,1171 4.064,1172 4.05,1173 4.123,1174 4.009,1175 6.999,1176 3.96,1177 3.868,1178 3.899,1179 3.816,1180 3.808,1181 5.076,1182 3.804,1183 3.778,1184 3.82,1185 3.714,1186 3.67,1187 4.87,1188 3.678,1189 3.584,1190 3.57,1191 3.665,1192 3.507,1193 4.718,1194 3.435,1195 3.297,1196 3.339,1197 3.232,1198 3.197,1199 4.7,1200 3.195,1201 2.954,1202 3.009,1203 2.866,1204 2.847,1205 4.259,1206 2.843,1207 2.854,1208 2.925,1209 2.697,1210 2.735,1211 3.945,1212 2.715,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.855,1219 0.134,1220 4.685,1222 7.308,1223 0.357,1224 4.31,1225 0.088,1226 3.391,1227 4.704,1229 12.507,1230 3.094,1231 2.001,1232 1.987,1233 2.069,1234 2.114,1235 1.204,1236 2.11,1237 1.952,1238 1.942,1239 2.003,1240 2.028,1241 1.156,1242 2.057,1243 1.881,1244 1.855,1245 1.987,1246 1.961,1247 1.07,1248 1.975,1249 1.709,1250 1.67,1251 1.801,1252 1.859,1253 0.873,1254 1.853,1255 1.404,1256 1.435,1257 1.489,1258 1.558,1259 0.566,1260 1.599,1261 1.355,1262 1.309,1263 1.227,1264 1.522,1265 0.537,1266 1.516,1267 0.982,1268 0.944,1269 1.181,1270 1.142,1271 0.239,1272 1.138,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.263,1281 5.602,1282 2.398,1283 7.143,1284 4.727,1285 8.768,1286 6.843,1287 10.435,1296 2.605,1305 34.39,1306 80.023,1307 144.018,1308 197.996,1309 240.856,1310 255.121,1311 257.121,1312 48.978,1313 8.224,1314 76.36,1315 84.74,1316 29,1317 12.773,1318 4.954,1319 4.087,1320 43.681,1321 133,1322 128,1323 0.159,1324 212.264,1325 353.23,1326 509.684,1327 47736,1329 21.261,1330 0.686,1331 0.555,1332 21.511,1333 17.198,1334 15.099,1335 0.431,1336 0.318,1337 9.689,1338 13.938,1339 9.367,1340 7.782,1341 15.92,1342 11.142,1343 13.957,1344 0.279,1345 0.174,1346 15.257,1347 8.719,1348 11.78,1349 0.176,1350 0.095,1351 12.884,1352 6.35,1353 10.122,1354 0.114,1355 0.051,1356 11.163,1357 4.496,1358 8.18,1359 0.073,1360 0.027,1361 9.034,1362 3.04,1363 0.25,1364 101.679,1365 0.204,1366 29.141,1367 0.431,1368 170,1369 483.6,1370 218.82,1371 500.719,1372 694.53,1373 464,1374 202,1375 498.554,1376 260.278,1377 546.556,1378 796.34,1379 513,1380 6.143}
{0 CHEMBL1765620,1 1.66,2 13.03,3 4.149,4 17.214,5 126.869,6 9.031,7 0.757,8 4.039,9 4.124,10 3.909,11 3.717,12 5.244,13 3.689,14 4.518,15 4.628,16 4.204,17 4.097,18 5.886,19 4.061,20 4.758,21 4.911,22 4.265,23 4.229,24 5.983,25 4.159,26 4.827,27 5.005,28 4.223,29 4.176,30 6.095,31 4.114,32 4.784,33 4.97,34 4.146,35 4.105,36 6.079,37 4.059,38 4.663,39 4.836,40 4.087,41 4.091,42 5.881,43 4.029,44 4.669,45 4.862,46 4.024,47 4.04,48 5.897,49 3.967,50 4.571,51 4.759,52 3.913,53 3.934,54 5.8,55 3.854,56 0.092,57 0.732,58 8.827,59 4.251,60 16.364,61 4.24,62 0.316,63 1.167,64 13.101,65 6.686,66 46.155,67 7.094,68 0.241,69 1.469,70 21.131,71 9.729,72 33.809,73 10.487,74 0.374,75 1.593,76 27.627,77 10.622,78 58.579,79 10.942,80 0.538,81 1.501,82 23.985,83 9.38,84 82.986,85 9.86,86 0.272,87 1.345,88 18.863,89 8.434,90 37.226,91 9.575,92 0.32,93 1.373,94 22.142,95 8.869,96 46.821,97 10.098,98 0.359,99 1.194,100 19.261,101 8.172,102 46.989,103 9.381,104 11,105 53,106 0.269,107 0.524,108 0.714,109 0.856,110 0.882,111 0.882,112 3.532,113 0.935,114 -3.88,115 -3.84,116 -3.64,119 50,142 12,143 4,144 2,145 3,151 1,152 1,158 1,161 1,172 14,174 2,175 6,178 2,180 1,183 13,187 14,190 1,192 3,195 7,199 15,204 3,207 3,211 3,212 10,217 2,220 8,223 1,224 6,227 1,229 1,232 13,236 2,237 5,245 13,249 2,250 7,253 1,255 1,258 9,263 6,268 2,271 6,275 1913,276 22.565,277 22.565,278 22.565,279 22.565,280 22.565,281 19.009,282 9.362,283 13.216,284 22.952,285 18.246,286 18.246,287 18.246,288 18.246,289 18.246,290 12.777,291 6.158,292 6.212,293 18.921,294 3.984,295 2.411,296 1.235,297 0.36,298 0.2,299 0.2,300 4.24,304 1,305 1,306 947,307 3.536,310 76.257,311 405.827,314 133.652,318 1.972,319 34.643,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 70.5,331 430,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 2.035,339 12.507,340 3.094,341 4.626,342 4.058,343 6.73,344 4.141,345 3.19,346 4.568,348 10.992,349 3.039,350 4.222,351 3.188,352 6.163,353 3.832,354 2.842,355 3.851,357 9.159,358 2.812,359 4.076,360 2.866,361 5.776,362 3.575,363 2.598,364 3.691,366 7.94,367 2.529,368 3.719,369 2.597,370 5.363,371 3.272,372 2.296,373 3.135,375 6.837,376 2.236,377 3.608,378 2.399,379 5.245,380 3.115,381 2.136,382 3.019,384 6.463,385 2.088,386 3.506,387 2.144,388 4.807,389 2.969,390 1.976,391 2.892,393 5.206,394 1.961,395 3.162,396 1.98,397 4.547,398 2.493,399 1.519,400 2.271,402 4.371,403 1.479,404 2.953,405 1.541,406 4.308,407 2.442,408 1.485,409 2.149,411 3.996,412 1.416,413 2.84,414 1.519,415 3.942,416 2.211,417 1.243,418 1.838,420 3.01,421 1.203,422 2.696,423 1.29,424 3.63,425 2.172,426 1.18,427 1.759,428 2.744,429 1.168,430 2.657,431 1.228,432 3.485,433 2.082,434 1.133,435 1.687,436 2.557,437 1.071,438 2.608,439 1.139,440 3.477,441 2,442 1,443 1.5,445 2.47,446 1,447 2.5,448 1,449 3.247,450 1.963,451 1,452 1.5,454 2.136,455 0.961,456 2.5,457 1,458 3.228,459 1.498,460 0.538,461 0.885,463 1.365,464 0.515,465 16,466 0.485,467 0.813,468 0.025,469 53.75,470 1.629,471 32.5,472 0.985,473 21.25,474 0.644,475 20.787,476 0.63,477 32,478 0.64,479 42.405,480 1.285,481 10.438,482 0.316,483 5.593,484 0.169,485 0.067,486 0.052,487 0.275,493 0.534,494 1.175,495 0.743,496 1.082,497 0.601,498 0.801,499 0.635,500 1.029,501 0.878,502 0.945,503 0.528,504 0.911,505 0.945,506 1.119,507 1.068,508 1.117,509 0.8,510 1.064,511 1.315,512 1.127,513 1.226,514 1.144,515 1.172,516 1.025,517 1.432,518 0.879,519 0.967,520 0.788,521 1.352,522 0.869,523 0.89,524 0.99,525 0.919,526 0.954,527 0.808,528 1,529 0.915,530 0.971,531 1.021,532 1.007,533 0.831,534 1.002,535 0.935,536 0.951,537 0.965,538 0.953,539 1.053,540 1.019,541 7,542 0.235,543 4,544 2.319,545 1.672,546 1.153,547 0.734,548 0.496,549 0.3,550 0.245,551 16252,552 49305,553 2.142,554 34,556 12,557 1,558 3,559 1,564 1.752,565 2.031,566 3.672,567 -0.352,569 1,573 83,574 1.66,575 3.233,576 4.408,577 5.284,578 5.444,579 5.444,580 3.117,581 4.741,582 5.016,583 3.816,584 2014.59,585 8.784,586 29998.3,588 1,591 282.193,592 1.416,593 4.983,594 0.189,595 0.008,596 0.075,597 0.043,598 0.033,599 0.024,600 0.016,601 0.012,602 0.008,603 0.007,604 0.414,605 0.33,606 0.88,607 0.62,608 175.338,609 0.094,610 -0.151,611 0.192,612 -0.1,613 -0.109,614 0.015,615 0.242,616 -0.008,617 -0.052,618 -0.046,619 0.183,620 -0.092,621 -0.065,622 -0.138,623 -0.079,624 -0.119,625 -0.014,626 -0.123,627 -0.177,628 -0.114,629 -0.118,630 -0.101,631 -0.073,632 -0.049,633 -0.131,634 0.127,635 -0.035,636 0.139,637 -0.121,638 0.082,639 -0.042,640 -0.006,641 -0.047,642 -0.037,643 -0.045,644 -0.051,645 -0.035,646 0.024,647 -0.037,648 -0.03,650 -0.006,651 0.062,652 0.004,653 -0.008,654 0.017,655 -0.067,656 -0.016,657 4.636,658 5.669,659 0.818,660 35.058,661 1.011,662 1.106,663 2.652,664 7.035,665 0.743,666 3.638,667 3.989,668 4.277,669 4.554,670 4.787,671 4.883,672 5.069,673 5.209,674 5.323,675 5.464,676 7.512,677 0.718,678 451.54,679 3.638,680 5.198,681 6.061,682 6.956,683 7.835,684 8.734,685 9.62,686 10.521,687 11.411,688 12.314,689 10,694 1,697 1,698 1,699 2,703 1,704 16,705 2,709 7,711 28,713 1,731 50,733 31,734 2,735 37,737 54,738 25,739 24,740 3,741 9,746 5,747 6,760 1,761 24,766 2,769 1,771 2,778 1,781 17,782 6,783 1,784 8,785 1,787 1,790 5,794 0.8,795 2,805 2,811 1,812 4,815 1,840 4,842 1,848 33,852 1,855 1,861 1,866 1,868 1,870 4,873 2,877 16.25,878 9.133,879 7.153,880 2.8,881 5.408,882 1.642,883 1.052,884 5.299,885 13.825,886 4.025,887 4.689,888 5.313,889 5.939,890 6.515,891 6.879,892 7.415,893 7.877,894 8.295,895 8.771,896 0.889,897 54,898 12.371,900 5.613,901 7.902,902 22.846,904 19.133,905 2.402,906 79.25,909 1,910 188.338,911 193.836,912 82.322,914 44.313,916 5.807,917 188.028,918 232.651,919 82.322,922 128.57,923 147.919,924 76.538,925 14.528,926 141.253,928 188.338,929 270.35,930 44.313,931 5.807,933 188.338,934 44.313,937 61.203,938 159.171,939 55.783,941 188.338,942 126.635,943 193.836,945 5.807,946 188.338,947 21.522,948 151.191,949 33.007,950 108.943,951 188.338,952 126.635,953 193.836,955 0.585,956 0.346,957 0.188,958 0.101,959 27,960 11,961 0.093,962 5,963 1,964 1.074,965 4.4,966 316.075,967 0.074,968 27,969 158.465,973 1,974 20.755,975 8.425,976 4.171,977 0.755,978 125.348,979 27.876,980 8.68,984 4.422,986 16.405,987 508.808,988 55,991 -3.719,993 25.338,999 50.542,1000 55.322,1001 0.294,1002 0.573,1003 0.781,1004 0.936,1005 0.965,1006 0.965,1007 5.263,1008 1.519,1009 6.071,1010 5.206,1011 4.673,1012 5.378,1013 2.228,1014 6.929,1015 4.598,1016 6.52,1017 1.485,1018 7.661,1019 4.371,1020 4.369,1021 5.338,1023 8.084,1024 4.217,1025 7.867,1026 1.243,1027 9.363,1028 3.996,1029 6.347,1030 7.727,1031 3.563,1032 11.145,1033 6.173,1034 9.258,1035 1.18,1036 11.136,1037 3.01,1038 6.889,1039 8.543,1041 13.144,1042 6.611,1043 10.684,1044 1.133,1045 12.957,1046 2.744,1047 8.354,1048 10.401,1049 4.962,1050 15.787,1051 8.05,1052 12.136,1053 1,1054 14.81,1055 2.557,1056 9.263,1057 11.602,1059 18.098,1060 8.85,1061 13.61,1062 1,1063 16.688,1064 2.47,1065 10.543,1066 13.256,1067 6.378,1068 20.628,1069 10.086,1070 3.391,1071 0.538,1072 18.584,1073 2.136,1074 11.613,1075 14.635,1077 23.056,1078 11.053,1079 3.19,1080 12.507,1081 20.494,1082 1.365,1083 12.828,1084 16.21,1085 7.797,1086 25.56,1087 12.208,1088 2.842,1089 10.992,1090 22.416,1091 4.704,1092 13.968,1093 17.671,1095 28.033,1096 13.251,1097 2.598,1098 9.159,1099 24.348,1100 4.568,1101 15.164,1102 19.216,1103 9.217,1104 30.535,1105 14.375,1106 2.296,1107 7.94,1108 26.287,1109 3.851,1110 16.335,1111 20.716,1113 33.028,1114 15.454,1115 2.136,1116 6.837,1117 28.232,1118 3.691,1119 17.529,1120 22.251,1121 10.638,1122 35.534,1123 16.568,1124 1.976,1125 6.463,1126 30.183,1127 3.135,1128 18.715,1129 23.769,1131 38.038,1132 17.664,1133 15129,1134 26531,1135 25.137,1136 37.154,1137 57.515,1138 59.351,1139 56.968,1140 55.929,1141 55.902,1142 80.445,1143 4.069,1144 164.744,1145 53.944,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1152 4.069,1153 19.85,1154 5.094,1155 13.34,1156 1.554,1157 1.604,1158 1.54,1159 1.512,1160 1.511,1161 2.174,1162 0.11,1163 4.453,1164 1.458,1165 4.167,1166 4.204,1167 4.736,1168 4.085,1169 7.717,1170 4.064,1171 4.064,1172 4.05,1173 4.126,1174 4.012,1175 6.999,1176 3.961,1177 3.885,1178 3.912,1179 3.839,1180 3.828,1181 6.82,1182 3.826,1183 3.792,1184 3.832,1185 3.742,1186 3.68,1187 5.073,1188 3.691,1189 3.585,1190 3.571,1191 3.666,1192 3.508,1193 4.868,1194 3.437,1195 3.318,1196 3.356,1197 3.266,1198 3.219,1199 4.715,1200 3.219,1201 3.15,1202 3.205,1203 3.106,1204 3,1205 4.645,1206 3.018,1207 2.949,1208 3.005,1209 2.854,1210 2.839,1211 4.257,1212 2.834,1213 0.131,1214 0.127,1215 0.198,1216 0.116,1217 0.092,1218 4.855,1219 0.127,1220 4.685,1221 0.055,1222 7.308,1223 0.338,1224 4.31,1225 0.084,1226 3.391,1227 4.704,1228 2.035,1229 12.507,1230 3.094,1231 2.003,1232 1.987,1233 2.067,1234 2.115,1235 1.206,1236 2.11,1237 1.954,1238 1.947,1239 2,1240 2.029,1241 1.157,1242 2.058,1243 1.893,1244 1.869,1245 1.985,1246 1.968,1247 1.076,1248 1.978,1249 1.711,1250 1.672,1251 1.801,1252 1.861,1253 0.874,1254 1.854,1255 1.404,1256 1.435,1257 1.49,1258 1.558,1259 0.566,1260 1.599,1261 1.376,1262 1.333,1263 1.23,1264 1.536,1265 0.535,1266 1.525,1267 1.09,1268 1.042,1269 1.221,1270 1.269,1271 0.238,1272 1.253,1273 0.977,1274 0.937,1275 1.181,1276 1.139,1277 0.218,1278 1.137,1279 4.317,1281 5.659,1282 2.398,1283 7.201,1284 4.727,1285 8.827,1286 6.843,1287 10.495,1296 2.587,1303 9.217,1304 2.157,1305 35.884,1306 83,1307 161.663,1308 220.418,1309 264.193,1310 272.193,1311 272.193,1312 57.737,1313 8.417,1314 100.15,1315 108.53,1316 29,1317 12.836,1318 5,1319 4.248,1320 47.884,1321 149,1322 145,1323 0.155,1324 222.796,1325 376.25,1326 535.382,1327 60752,1329 22.838,1330 0.692,1331 0.548,1332 23.088,1333 18.068,1334 16.031,1335 0.433,1336 0.312,1337 10.066,1338 14.826,1339 9.733,1340 8.082,1341 16.852,1342 11.527,1343 14.76,1344 0.278,1345 0.171,1346 16.06,1347 9.045,1348 12.531,1349 0.176,1350 0.093,1351 13.635,1352 6.568,1353 10.652,1354 0.113,1355 0.049,1356 11.693,1357 4.636,1358 8.62,1359 0.072,1360 0.026,1361 9.474,1362 3.134,1363 0.246,1364 107.624,1365 0.199,1366 30.699,1367 0.421,1368 180,1369 535.245,1370 229.514,1371 554.698,1372 761.22,1373 512,1374 214,1375 541.963,1376 272.945,1377 592.599,1378 859.38,1379 555,1380 7.921}
{0 CHEMBL1765621,1 1.686,2 12.29,3 3.12,4 9.731,5 118.975,6 8.907,7 0.8,8 4.006,9 4.096,10 3.871,11 3.657,12 5.168,13 3.632,14 4.49,15 4.608,16 4.161,17 4.034,18 5.851,19 4.001,20 4.708,21 4.865,22 4.205,23 4.155,24 5.899,25 4.085,26 4.77,27 4.95,28 4.159,29 4.099,30 6.003,31 4.035,32 4.734,33 4.925,34 4.079,35 4.026,36 6.007,37 3.978,38 4.592,39 4.77,40 3.989,41 4.001,42 5.753,43 3.933,44 4.599,45 4.797,46 3.92,47 3.945,48 5.744,49 3.866,50 4.508,51 4.702,52 3.826,53 3.836,54 5.695,55 3.754,56 0.094,57 0.74,58 9.094,59 4.187,60 14.752,61 4.249,62 0.338,63 1.179,64 13.66,65 6.501,66 47.611,67 6.919,68 0.253,69 1.424,70 21.107,71 9.327,72 32.942,73 10.109,74 0.386,75 1.509,76 27.1,77 10.102,78 50.955,79 10.632,80 0.56,81 1.429,82 23.707,83 8.885,84 76.383,85 9.557,86 0.251,87 1.252,88 18.435,89 8.023,90 31.851,91 9.239,92 0.299,93 1.269,94 21.62,95 8.379,96 37.707,97 9.701,98 0.36,99 1.125,100 18.908,101 7.711,102 41.409,103 8.952,104 5,105 50,106 0.277,107 0.506,108 0.714,109 0.86,110 0.883,111 0.883,112 3.472,113 0.942,114 -3.26,115 -3.25,116 -3.12,119 47.9,142 10,143 3,144 2,145 5,151 1,152 1,161 1,172 10,174 2,175 7,178 2,180 1,183 8,187 12,190 1,192 3,195 4,198 1,199 11,204 3,207 3,211 4,212 7,217 2,220 6,224 7,227 1,229 1,232 9,236 1,237 7,245 8,249 2,250 5,253 1,255 1,258 6,262 1,263 3,268 1,271 5,275 1595,276 21.247,277 21.247,278 21.247,279 21.247,280 21.247,281 17.755,282 6.038,283 12.591,284 21.69,285 17.336,286 17.336,287 17.336,288 17.336,289 17.336,290 12.127,291 3.814,292 6.01,293 18.083,294 3.899,295 2.507,296 1.241,297 0.349,298 0.208,299 0.208,300 4.183,304 1,305 1,306 848,307 3.317,310 71.362,311 376.895,314 124.305,318 1.894,319 30.458,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66.5,331 381,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.094,341 4.621,342 3.185,343 6.726,344 4.133,345 3.184,346 4.566,348 10.974,349 3.026,350 4.205,351 2.861,352 6.16,353 3.818,354 2.831,355 3.831,357 9.146,358 2.791,359 3.902,360 2.512,361 5.719,362 3.437,363 2.469,364 3.493,366 7.668,367 2.383,368 3.646,369 2.342,370 5.36,371 3.224,372 2.255,373 3.105,375 6.808,376 2.18,377 3.512,378 1.982,379 4.807,380 2.974,381 1.979,382 2.974,384 5.206,385 1.968,386 3.227,387 1.75,388 4.637,389 2.71,390 1.748,391 2.568,393 4.655,394 1.679,395 2.953,396 1.54,397 4.324,398 2.442,399 1.486,400 2.155,402 4.074,403 1.418,404 2.805,405 1.338,406 4.007,407 2.282,408 1.327,409 1.948,411 3.26,412 1.265,413 2.694,414 1.272,415 3.63,416 2.175,417 1.189,418 1.764,420 2.75,421 1.169,422 2.637,423 1.15,424 3.502,425 2.083,426 1.141,427 1.699,428 2.61,429 1.071,430 2.5,431 1,432 3.476,433 2,434 1,435 1.5,436 2.476,437 1,438 2.5,439 1,440 3.247,441 1.963,442 1,443 1.5,445 2.136,446 0.961,447 2.5,448 1,449 3.247,450 1.951,451 1,452 1.5,454 2.136,455 0.948,456 2.015,457 0.532,458 3.206,459 1.49,460 0.532,461 0.784,463 1.343,464 0.508,465 15,466 0.484,467 0.745,468 0.024,469 50,470 1.613,471 29.5,472 0.952,473 20.5,474 0.661,475 19.126,476 0.617,477 30.6,478 0.638,479 38.261,480 1.234,481 9.804,482 0.316,483 5.295,484 0.171,485 0.044,486 0.056,487 0.26,493 0.562,494 1.27,495 0.748,496 1.122,497 0.662,498 0.827,499 0.711,500 1.064,501 0.894,502 0.936,503 0.606,504 0.905,505 0.978,506 1.133,507 1.071,508 1.114,509 0.898,510 1.055,511 1.286,512 1.106,513 1.217,514 1.151,515 1.222,516 1.022,517 1.42,518 0.838,519 0.961,520 0.774,521 1.501,522 0.859,523 0.912,524 1.024,525 0.925,526 0.971,527 0.833,528 1.012,529 0.937,530 1.003,531 1.031,532 1.026,533 0.823,534 1.014,535 0.954,536 0.975,537 0.966,538 0.961,539 1.107,540 1.023,541 6,542 0.202,543 3.778,544 2.132,545 1.441,546 1.004,547 0.638,548 0.432,549 0.218,550 0.209,551 13934,552 40543,553 2.172,554 35.4,556 10,557 1,558 5,559 1,564 1.736,565 2.078,566 3.594,567 -0.329,569 1,573 80.94,574 1.686,575 3.078,576 4.344,577 5.236,578 5.377,579 5.377,580 3.05,581 4.503,582 4.927,583 3.733,584 1736.04,585 8.604,586 24597.5,588 1,590 1,591 268.078,592 1.327,593 4.9,594 0.171,595 0.007,596 0.076,597 0.043,598 0.031,599 0.022,600 0.015,601 0.011,602 0.006,603 0.007,604 0.39,605 0.33,606 0.88,607 0.415,608 161.161,609 0.088,610 -0.205,611 0.201,612 -0.118,613 -0.159,614 0.006,615 0.205,617 -0.056,618 -0.032,619 0.215,620 -0.083,621 -0.081,622 -0.134,623 -0.078,624 -0.111,625 -0.027,626 -0.117,627 -0.145,628 -0.097,629 -0.109,630 -0.106,631 -0.043,632 -0.051,633 -0.107,634 0.164,635 -0.033,636 0.144,637 -0.111,638 0.081,639 -0.074,640 -0.047,641 -0.051,642 -0.045,643 -0.05,644 -0.057,645 -0.065,646 -0.02,647 -0.043,648 -0.044,649 -0.013,650 -0.015,651 0.061,652 -0.018,653 -0.007,654 0.005,655 -0.056,656 -0.027,657 4.61,658 5.634,659 0.871,660 30.466,661 1.011,662 1.111,663 2.033,664 4.131,665 0.732,666 3.584,667 3.932,668 4.22,669 4.5,670 4.727,671 4.804,672 4.99,673 5.124,674 5.226,675 5.361,676 7.131,677 0.706,678 427.52,679 3.584,680 5.142,681 6.004,682 6.897,683 7.775,684 8.673,685 9.559,686 10.459,687 11.348,688 12.25,689 10.4,694 1,697 1,699 3,703 1,704 16,705 3,709 6,711 28,731 48,733 30,734 1,735 35,737 52,738 23,739 23,740 1,741 5,746 5,747 6,761 23,766 2,769 1,771 2,778 1,781 17,782 6,783 1,784 8,785 1,787 1,790 5,794 0.8,795 2,805 3,811 1,812 4,815 1,840 4,842 1,848 31,852 1,855 1,870 4.2,873 2,877 14.917,878 8.633,879 6.653,880 2.654,881 5.124,882 1.623,883 1.061,884 4.89,885 13.347,886 3.951,887 4.632,888 5.244,889 5.878,890 6.448,891 6.786,892 7.319,893 7.784,894 8.175,895 8.642,896 1,897 50,898 11.642,900 5.285,901 7.825,902 21.608,904 18.106,905 2.325,906 72.083,909 1,910 188.338,911 173.191,912 68.048,914 44.313,916 5.807,917 167.383,918 232.651,919 68.048,922 109.617,923 171.645,924 60.388,925 14.528,926 117.711,928 188.338,929 235.431,930 44.313,931 5.807,933 188.338,934 44.313,937 48.239,938 120.431,939 72.569,941 188.338,942 112.361,943 173.191,945 5.807,946 188.338,947 18.336,948 150.333,949 16.405,950 94.67,951 188.338,952 112.361,953 173.191,955 0.585,956 0.342,957 0.189,958 0.102,959 26,960 10,961 0.096,962 5,963 1,964 1.074,965 4.278,966 290.815,967 0.074,968 27,969 147.58,973 1,974 19.286,975 7.86,976 3.88,977 0.802,978 111.075,979 28.155,980 12.865,984 4.11,986 16.405,987 473.889,988 51,991 -3.693,993 25.268,999 48.542,1000 53.322,1001 0.302,1002 0.551,1003 0.778,1004 0.938,1005 0.963,1006 0.963,1007 5.176,1008 1.486,1009 6.009,1010 4.655,1011 4.615,1012 5.321,1014 6.866,1015 4.53,1016 6.426,1017 1.327,1018 7.596,1019 4.074,1020 4.29,1021 5.27,1023 8.032,1024 4.124,1025 7.772,1026 1.189,1027 9.3,1028 3.26,1029 6.286,1030 7.67,1032 11.101,1033 6.092,1034 9.164,1035 1.141,1036 11.078,1037 2.75,1038 6.825,1039 8.485,1041 13.118,1042 6.527,1043 10.594,1044 1,1045 12.905,1046 2.61,1047 8.302,1048 10.352,1050 15.764,1051 7.971,1052 12.053,1053 1,1054 14.766,1055 2.476,1056 9.216,1057 11.557,1059 18.084,1060 8.776,1061 13.533,1062 1,1063 16.651,1064 2.136,1065 10.502,1066 13.218,1068 20.616,1069 10.014,1070 3.391,1071 0.532,1072 18.553,1073 2.136,1074 11.577,1075 14.601,1077 23.047,1078 10.987,1079 3.184,1080 12.507,1081 20.469,1082 1.343,1083 12.797,1084 16.181,1086 25.552,1087 12.143,1088 2.831,1089 10.974,1090 22.395,1091 4.704,1092 13.94,1093 17.646,1095 28.027,1096 13.191,1097 2.469,1098 9.146,1099 24.331,1100 4.566,1101 15.14,1102 19.194,1104 30.529,1105 14.316,1106 2.255,1107 7.668,1108 26.273,1109 3.831,1110 16.314,1111 20.696,1113 33.024,1114 15.397,1115 1.979,1116 6.808,1117 28.22,1118 3.493,1119 17.509,1120 22.234,1122 35.529,1123 16.512,1124 1.748,1125 5.206,1126 30.173,1127 3.105,1128 18.697,1129 23.754,1131 38.034,1132 17.609,1133 12837,1134 22083,1135 24.038,1136 35.154,1137 53.426,1138 53.691,1139 53.419,1140 53.099,1141 53.062,1142 76.18,1144 155.496,1145 50.923,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1153 19.85,1154 5.094,1155 10.101,1156 1.526,1157 1.534,1158 1.526,1159 1.517,1160 1.516,1161 2.177,1163 4.443,1164 1.455,1165 4.163,1166 4.201,1167 4.736,1168 4.082,1169 7.717,1170 4.054,1171 4.063,1172 4.05,1173 4.122,1174 4.001,1175 6.999,1176 3.959,1177 3.855,1178 3.89,1179 3.809,1180 3.77,1181 5.087,1182 3.774,1183 3.76,1184 3.807,1185 3.701,1186 3.64,1187 4.885,1188 3.648,1189 3.584,1190 3.569,1191 3.663,1192 3.504,1193 4.829,1194 3.433,1195 3.292,1196 3.335,1197 3.228,1198 3.183,1199 4.713,1200 3.183,1201 2.952,1202 3.007,1203 2.863,1204 2.843,1205 4.263,1206 2.839,1207 2.854,1208 2.925,1209 2.697,1210 2.735,1211 3.945,1212 2.715,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.855,1219 0.134,1220 4.685,1222 7.308,1223 0.357,1224 4.31,1225 0.088,1226 3.391,1227 4.704,1229 12.507,1230 3.094,1231 1.997,1232 1.985,1233 2.055,1234 2.113,1235 1.196,1236 2.108,1237 1.946,1238 1.933,1239 1.995,1240 2.026,1241 1.15,1242 2.054,1243 1.838,1244 1.805,1245 1.94,1246 1.949,1247 0.998,1248 1.951,1249 1.703,1250 1.663,1251 1.797,1252 1.856,1253 0.858,1254 1.848,1255 1.404,1256 1.434,1257 1.472,1258 1.558,1259 0.561,1260 1.598,1261 1.334,1262 1.283,1263 1.227,1264 1.514,1265 0.506,1266 1.504,1267 0.98,1268 0.941,1269 1.181,1270 1.141,1271 0.238,1272 1.137,1273 0.886,1274 0.821,1275 1.108,1276 1.062,1277 0.218,1278 1.107,1279 4.263,1281 5.602,1282 2.398,1283 7.143,1284 4.727,1285 8.768,1286 6.843,1287 10.435,1296 2.596,1305 33.884,1306 80.94,1307 147.74,1308 208.494,1309 251.323,1310 258.078,1311 258.078,1312 49.219,1313 8.224,1314 89.25,1315 97.63,1316 29,1317 12.773,1318 4.954,1319 4.087,1320 43.681,1321 133,1322 128,1323 0.159,1324 209.466,1325 346.93,1326 502.857,1327 47736,1329 21.261,1330 0.686,1331 0.551,1332 21.511,1333 17.068,1334 15.099,1335 0.431,1336 0.314,1337 9.522,1338 13.863,1339 9.213,1340 7.647,1341 15.92,1342 10.992,1343 13.957,1344 0.279,1345 0.172,1346 15.257,1347 8.594,1348 11.78,1349 0.176,1350 0.093,1351 12.884,1352 6.237,1353 10.122,1354 0.114,1355 0.049,1356 11.163,1357 4.402,1358 8.18,1359 0.073,1360 0.026,1361 9.034,1362 2.959,1363 0.25,1364 102.179,1365 0.204,1366 29.141,1367 0.431,1368 170,1369 503.245,1370 220.208,1371 517.959,1372 715.93,1373 480,1374 202,1375 512.667,1376 261.777,1377 560.197,1378 814.9,1379 525,1380 8.155}
{0 CHEMBL1765622,1 1.686,2 12.29,3 3.12,4 9.731,5 118.975,6 8.907,7 0.8,8 4.006,9 4.096,10 3.871,11 3.657,12 5.168,13 3.632,14 4.49,15 4.608,16 4.161,17 4.034,18 5.852,19 4.001,20 4.708,21 4.866,22 4.203,23 4.158,24 5.895,25 4.088,26 4.768,27 4.944,28 4.157,29 4.109,30 5.997,31 4.043,32 4.749,33 4.942,34 4.077,35 4.042,36 6.006,37 3.989,38 4.612,39 4.795,40 3.994,41 4.006,42 5.774,43 3.936,44 4.588,45 4.785,46 3.918,47 3.941,48 5.735,49 3.861,50 4.508,51 4.702,52 3.826,53 3.836,54 5.694,55 3.754,56 0.094,57 0.74,58 9.094,59 4.187,60 14.752,61 4.249,62 0.338,63 1.179,64 13.66,65 6.501,66 47.566,67 6.919,68 0.261,69 1.423,70 21.174,71 9.313,72 33.693,73 10.073,74 0.352,75 1.491,76 26.657,77 10.146,78 49.391,79 10.686,80 0.564,81 1.441,82 24.267,83 9.146,84 75.156,85 9.954,86 0.277,87 1.284,88 19.108,89 8.223,90 34.745,91 9.553,92 0.289,93 1.252,94 21.34,95 8.342,96 36.728,97 9.678,98 0.36,99 1.125,100 18.908,101 7.711,102 41.454,103 8.952,104 5,105 50,106 0.277,107 0.506,108 0.714,109 0.846,110 0.856,111 0.856,112 3.472,113 0.942,114 -3.26,115 -3.25,116 -3.12,119 47.9,142 10,143 3,144 2,145 5,151 1,152 1,161 1,172 10,174 2,175 7,178 2,180 1,183 8,187 13,190 1,192 3,195 4,199 11,204 3,207 3,211 4,212 6,217 2,220 8,223 1,224 5,227 1,229 1,232 9,236 1,237 7,245 7,249 2,250 7,253 1,255 1,258 5,263 3,268 2,271 5,275 1595,276 21.247,277 21.247,278 21.247,279 21.247,280 21.247,281 17.755,282 6.038,283 12.591,284 21.698,285 17.336,286 17.336,287 17.336,288 17.336,289 17.336,290 12.127,291 3.814,292 6.01,293 18.089,294 3.899,295 2.507,296 1.241,297 0.432,298 0.375,299 0.375,300 4.183,304 1,305 1,306 848,307 3.317,310 71.362,311 376.895,314 124.305,318 1.894,319 30.252,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66.5,331 381,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,339 12.507,340 3.094,341 4.621,342 3.185,343 6.726,344 4.133,345 3.184,346 4.566,348 10.974,349 3.027,350 4.205,351 2.861,352 6.16,353 3.819,354 2.831,355 3.831,357 9.146,358 2.793,359 3.902,360 2.512,361 5.719,362 3.439,363 2.469,364 3.493,366 7.668,367 2.388,368 3.646,369 2.342,370 5.36,371 3.225,372 2.255,373 3.105,375 6.808,376 2.181,377 3.512,378 1.982,379 4.807,380 2.974,381 1.979,382 2.974,384 5.206,385 1.968,386 3.227,387 1.75,388 4.637,389 2.703,390 1.748,391 2.568,393 4.655,394 1.668,395 2.953,396 1.54,397 4.324,398 2.442,399 1.486,400 2.155,402 4.074,403 1.418,404 2.805,405 1.338,406 4.007,407 2.269,408 1.327,409 1.948,411 3.26,412 1.246,413 2.694,414 1.272,415 3.63,416 2.174,417 1.189,418 1.764,420 2.75,421 1.169,422 2.637,423 1.15,424 3.502,425 2.081,426 1.141,427 1.699,428 2.61,429 1.068,430 2.5,431 1,432 3.476,433 2,434 1,435 1.5,436 2.476,437 1,438 2.5,439 1,440 3.247,441 1.984,442 1,443 1.5,445 2.136,446 0.983,447 2.5,448 1,449 3.247,450 1.953,451 1,452 1.5,454 2.136,455 0.95,456 2.015,457 0.532,458 3.206,459 1.488,460 0.532,461 0.784,463 1.343,464 0.507,465 15,466 0.484,467 0.745,468 0.024,469 50,470 1.613,471 29.5,472 0.952,473 20.5,474 0.661,475 19.14,476 0.617,477 30.6,478 0.638,479 38.246,480 1.234,481 9.804,482 0.316,483 5.295,484 0.171,485 0.044,486 0.056,487 0.26,493 0.562,494 1.27,495 0.748,496 1.122,497 0.662,498 0.827,499 0.711,500 1.064,501 0.894,502 0.936,503 0.604,504 0.905,505 0.988,506 1.093,507 1.076,508 1.093,509 0.902,510 1.041,511 1.278,512 1.158,513 1.225,514 1.187,515 1.215,516 1.055,517 1.382,518 0.809,519 0.956,520 0.77,521 1.47,522 0.862,523 0.88,524 0.988,525 0.92,526 0.963,527 0.824,528 1.012,529 0.918,530 1.011,531 1.022,532 1.034,533 0.818,534 1.014,535 0.954,536 0.975,537 0.966,538 0.961,539 1.109,540 1.023,541 6,542 0.202,543 3.778,544 2.132,545 1.441,546 1.004,547 0.638,548 0.432,549 0.218,550 0.209,551 13934,552 40739,553 2.172,554 35.4,556 10,557 1,558 5,559 1,564 1.736,565 2.078,566 3.594,567 -0.329,569 1,573 80.94,574 1.686,575 3.078,576 4.344,577 5.153,578 5.21,579 5.21,580 3.05,581 4.503,582 4.927,583 3.733,584 1736.04,585 8.604,586 24597.5,588 1,590 1,591 268.078,592 1.327,593 4.9,594 0.171,595 0.007,596 0.076,597 0.043,598 0.031,599 0.022,600 0.015,601 0.011,602 0.006,603 0.007,604 0.39,605 0.33,606 0.88,607 0.415,608 161.161,609 0.088,610 -0.205,611 0.201,612 -0.118,613 -0.159,614 0.006,615 0.205,617 -0.056,618 -0.032,619 0.218,620 -0.083,621 -0.092,622 -0.093,623 -0.083,624 -0.089,625 -0.031,626 -0.102,627 -0.163,628 -0.162,629 -0.125,630 -0.14,631 -0.046,632 -0.084,633 -0.097,634 0.182,635 -0.025,636 0.153,637 -0.107,638 0.09,639 -0.036,640 -0.008,641 -0.039,642 -0.037,643 -0.041,644 -0.051,645 -0.053,646 -0.034,647 -0.034,648 -0.049,649 -0.006,650 -0.013,651 0.061,652 -0.018,653 -0.007,654 0.005,655 -0.059,656 -0.027,657 4.609,658 5.635,659 0.871,660 30.466,661 1.011,662 1.111,663 2.033,664 4.131,665 0.732,666 3.584,667 3.932,668 4.22,669 4.5,670 4.727,671 4.804,672 4.99,673 5.124,674 5.226,675 5.361,676 7.131,677 0.706,678 427.52,679 3.584,680 5.142,681 6.004,682 6.897,683 7.775,684 8.673,685 9.559,686 10.459,687 11.348,688 12.25,689 10.4,694 1,697 1,699 3,703 1,704 16,705 3,709 6,711 28,731 48,733 30,734 1,735 35,737 52,738 23,739 23,740 1,741 5,746 5,747 6,761 23,766 2,769 1,771 2,778 1,781 17,782 6,783 1,784 8,785 1,787 1,790 5,794 0.8,795 2,805 3,811 1,812 4,815 1,840 4,842 1,848 31,852 1,855 1,870 4.2,873 2,877 14.917,878 8.633,879 6.653,880 2.654,881 5.124,882 1.623,883 1.061,884 4.89,885 13.347,886 3.951,887 4.632,888 5.244,889 5.878,890 6.448,891 6.786,892 7.319,893 7.784,894 8.175,895 8.642,896 1,897 50,898 11.64,900 5.283,901 7.825,902 21.608,904 18.106,905 2.325,906 72.083,909 1,910 188.338,911 173.191,912 68.048,914 44.313,916 5.807,917 167.383,918 232.651,919 68.048,922 109.617,923 171.645,924 60.388,925 14.528,926 117.711,928 188.338,929 235.431,930 44.313,931 5.807,933 188.338,934 44.313,937 48.239,938 120.431,939 72.569,941 188.338,942 112.361,943 173.191,945 5.807,946 188.338,947 18.336,948 150.333,949 16.405,950 94.67,951 188.338,952 112.361,953 173.191,955 0.585,956 0.342,957 0.189,958 0.102,959 26,960 10,961 0.096,962 5,963 1,964 1.074,965 4.278,966 290.815,967 0.074,968 27,969 143.58,973 1,974 19.286,975 7.86,976 3.88,977 0.81,978 111.075,979 28.156,980 12.759,984 4.192,986 16.405,987 473.889,988 51,991 -3.692,993 25.269,999 48.542,1000 53.322,1001 0.302,1002 0.551,1003 0.778,1004 0.923,1005 0.933,1006 0.933,1007 5.176,1008 1.486,1009 6.009,1010 4.655,1011 4.615,1012 5.321,1014 6.866,1015 4.53,1016 6.426,1017 1.327,1018 7.596,1019 4.074,1020 4.29,1021 5.27,1023 8.032,1024 4.124,1025 7.772,1026 1.189,1027 9.3,1028 3.26,1029 6.286,1030 7.67,1032 11.101,1033 6.093,1034 9.164,1035 1.141,1036 11.078,1037 2.75,1038 6.825,1039 8.485,1041 13.118,1042 6.528,1043 10.594,1044 1,1045 12.905,1046 2.61,1047 8.302,1048 10.352,1050 15.764,1051 7.973,1052 12.053,1053 1,1054 14.766,1055 2.476,1056 9.216,1057 11.557,1059 18.084,1060 8.779,1061 13.533,1062 1,1063 16.651,1064 2.136,1065 10.502,1066 13.218,1068 20.616,1069 10.017,1070 3.391,1071 0.532,1072 18.553,1073 2.136,1074 11.577,1075 14.601,1077 23.047,1078 10.99,1079 3.184,1080 12.507,1081 20.469,1082 1.343,1083 12.797,1084 16.181,1086 25.552,1087 12.146,1088 2.831,1089 10.974,1090 22.395,1091 4.704,1092 13.94,1093 17.646,1095 28.027,1096 13.194,1097 2.469,1098 9.146,1099 24.331,1100 4.566,1101 15.14,1102 19.194,1104 30.529,1105 14.319,1106 2.255,1107 7.668,1108 26.273,1109 3.831,1110 16.314,1111 20.696,1113 33.024,1114 15.401,1115 1.979,1116 6.808,1117 28.22,1118 3.493,1119 17.509,1120 22.234,1122 35.529,1123 16.516,1124 1.748,1125 5.206,1126 30.173,1127 3.105,1128 18.697,1129 23.754,1131 38.034,1132 17.614,1133 12837,1134 22133,1135 24.038,1136 35.154,1137 53.426,1138 53.691,1139 53.419,1140 53.102,1141 53.062,1142 76.18,1144 155.496,1145 50.919,1146 5.682,1147 6.685,1148 7.11,1149 5.367,1150 5.391,1151 7.704,1153 19.85,1154 5.094,1155 10.101,1156 1.526,1157 1.534,1158 1.526,1159 1.517,1160 1.516,1161 2.177,1163 4.443,1164 1.455,1165 4.163,1166 4.201,1167 4.736,1168 4.082,1169 7.717,1170 4.055,1171 4.064,1172 4.05,1173 4.122,1174 4.002,1175 6.999,1176 3.959,1177 3.855,1178 3.89,1179 3.81,1180 3.771,1181 5.085,1182 3.775,1183 3.759,1184 3.806,1185 3.7,1186 3.637,1187 4.885,1188 3.645,1189 3.583,1190 3.569,1191 3.663,1192 3.503,1193 4.835,1194 3.432,1195 3.287,1196 3.331,1197 3.225,1198 3.168,1199 4.714,1200 3.171,1201 2.942,1202 3,1203 2.854,1204 2.825,1205 4.265,1206 2.822,1207 2.854,1208 2.925,1209 2.696,1210 2.735,1211 3.945,1212 2.715,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.855,1219 0.134,1220 4.685,1222 7.308,1223 0.357,1224 4.31,1225 0.088,1226 3.391,1227 4.704,1229 12.507,1230 3.094,1231 1.997,1232 1.985,1233 2.056,1234 2.113,1235 1.197,1236 2.108,1237 1.946,1238 1.934,1239 1.996,1240 2.026,1241 1.151,1242 2.054,1243 1.839,1244 1.806,1245 1.94,1246 1.949,1247 1.004,1248 1.951,1249 1.702,1250 1.662,1251 1.796,1252 1.856,1253 0.857,1254 1.848,1255 1.404,1256 1.434,1257 1.449,1258 1.558,1259 0.559,1260 1.598,1261 1.314,1262 1.26,1263 1.224,1264 1.508,1265 0.461,1266 1.494,1267 0.968,1268 0.93,1269 1.181,1270 1.136,1271 0.231,1272 1.128,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.263,1281 5.602,1282 2.398,1283 7.143,1284 4.727,1285 8.768,1286 6.843,1287 10.435,1296 2.598,1305 33.884,1306 80.94,1307 147.74,1308 208.494,1309 247.323,1310 250.078,1311 250.078,1312 48.996,1313 8.224,1314 89.25,1315 97.63,1316 29,1317 12.773,1318 4.954,1319 4.087,1320 43.681,1321 133,1322 128,1323 0.159,1324 209.466,1325 346.93,1326 502.857,1327 47736,1329 21.261,1330 0.686,1331 0.551,1332 21.511,1333 17.068,1334 15.099,1335 0.431,1336 0.314,1337 9.522,1338 13.859,1339 9.213,1340 7.645,1341 15.92,1342 10.992,1343 13.957,1344 0.279,1345 0.172,1346 15.257,1347 8.589,1348 11.78,1349 0.176,1350 0.093,1351 12.884,1352 6.256,1353 10.122,1354 0.114,1355 0.05,1356 11.163,1357 4.41,1358 8.18,1359 0.073,1360 0.026,1361 9.034,1362 2.962,1363 0.25,1364 102.179,1365 0.204,1366 29.141,1367 0.431,1368 170,1369 503.245,1370 220.208,1371 517.828,1372 715.89,1373 480,1374 202,1375 512.667,1376 261.611,1377 559.901,1378 814.46,1379 525,1380 8.398}
{0 CHEMBL1765623,1 1.851,2 10.074,3 0.792,4 0.628,5 99.558,6 8.941,7 0.533,8 3.911,9 4.007,10 3.779,11 3.458,12 5.085,13 3.454,14 4.457,15 4.597,16 4.103,17 3.859,18 5.784,19 3.844,20 4.668,21 4.824,22 4.212,23 4.043,24 5.88,25 3.987,26 4.782,27 4.952,28 4.141,29 4.016,30 6.201,31 3.956,32 4.705,33 4.904,34 3.962,35 3.877,36 6.023,37 3.83,38 4.519,39 4.703,40 3.902,41 3.808,42 5.769,43 3.763,44 4.596,45 4.813,46 3.819,47 3.742,48 5.862,49 3.675,50 4.421,51 4.649,52 3.676,53 3.581,54 5.565,55 3.502,56 0.152,57 0.732,58 8.824,59 3.795,60 24.553,61 3.858,62 0.555,63 1.144,64 15.235,65 6.283,66 56.417,67 6.647,68 0.532,69 1.394,70 26.062,71 9.106,72 51.09,73 9.526,74 0.832,75 1.414,76 30.53,77 10.167,78 135.268,79 10.519,80 0.867,81 1.228,82 25.665,83 8.628,84 115.072,85 9.878,86 0.406,87 1.172,88 19.005,89 6.786,90 51.083,91 7.929,92 0.718,93 1.159,94 22.02,95 7.114,96 71.37,97 8.557,98 0.464,99 0.949,100 19.833,101 6.63,102 60.973,103 8.212,104 18,105 44,106 0.316,107 0.695,108 0.804,109 0.831,110 0.831,111 0.831,112 3.341,113 0.966,114 -1.58,115 -1.66,116 -1.69,119 39.5,125 4,142 3,143 2,144 1,145 2,147 1,151 1,152 1,158 1,161 1,163 1,164 1,165 1,172 4,174 4,175 4,177 1,178 1,183 3,186 2,187 8,192 1,195 2,197 1,198 4,199 6,201 3,202 3,204 1,207 1,209 1,211 3,212 7,217 1,222 1,224 7,229 1,234 1,236 5,237 5,239 2,240 2,242 1,247 1,249 1,250 1,262 3,263 1,265 1,266 1,275 1023,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 16.037,282 14.816,283 10.457,284 18.809,285 14.717,286 14.717,287 14.717,288 14.717,289 14.717,290 11.206,291 14.501,292 4.833,293 15.707,294 3.576,295 1.355,296 0.715,297 0.558,298 0.558,299 0.558,300 4.033,304 1,305 1,306 593,307 3.317,310 63.514,311 239.132,314 108.516,318 1.421,319 41.824,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 60,331 272,332 4.963,333 4.745,334 7.721,335 4.469,336 3.548,337 4.802,338 2.035,339 13.887,340 3.244,341 4.583,342 4.072,343 6.564,344 4.057,345 3.113,346 4.533,347 0.86,348 10.416,349 2.951,350 4.154,351 3.074,352 6.162,353 3.74,354 2.765,355 3.757,356 0.4,357 9.027,358 2.683,359 3.757,360 2.815,361 5.874,362 3.349,363 2.398,364 3.178,366 7.641,367 2.274,368 3.589,369 2.649,370 5.108,371 2.945,372 1.988,373 2.825,375 5.875,376 1.907,377 3.124,378 2.321,379 4.867,380 2.865,381 1.947,382 2.201,384 5.12,385 1.772,386 3.023,387 1.985,388 4.426,389 2.454,390 1.492,391 2.138,393 4.267,394 1.434,395 2.963,396 1.941,397 4.096,398 2.196,399 1.306,400 1.844,402 3.3,403 1.164,404 2.655,405 1.511,406 4.015,407 2.174,408 1.223,409 1.698,411 3.177,412 1.154,413 2.601,414 1.256,415 3.53,416 1.952,417 1,418 1.271,420 2.525,421 0.946,422 2.238,423 1.222,424 3.269,425 1.919,426 1,427 1.191,428 2.136,429 0.911,430 2.066,431 1.12,432 3.247,433 1.737,434 0.792,435 1,436 1.734,437 0.747,438 2,439 0.75,440 2.917,441 1.206,442 0.269,443 0.491,445 0.437,446 0.251,447 1.292,448 0.368,449 2.741,450 0.87,451 -0.054,452 -0.07,454 -0.124,455 -0.05,456 1,457 -0.122,458 2.608,459 0.313,460 -0.624,461 -0.752,463 -1.497,464 -0.58,465 12.733,466 0.472,467 0.756,468 0.028,469 39.25,470 1.454,471 20.5,472 0.759,473 18.75,474 0.694,475 19.087,476 0.707,477 28.667,478 0.667,479 30.784,480 1.14,481 7.52,482 0.279,483 5.483,484 0.203,485 0.115,486 0.065,487 0.298,493 0.699,494 1.477,495 0.763,496 1.276,497 0.661,498 0.906,499 0.96,500 0.963,501 0.811,502 0.777,503 0.565,504 0.777,505 1.004,506 1.139,507 1.302,508 1.278,509 0.785,510 1.013,511 1.174,512 0.995,513 1.388,514 1.268,515 1.498,516 1.135,517 1.226,518 0.853,519 0.911,520 0.778,521 1.49,522 0.874,523 0.949,524 1.27,525 1.039,526 1.15,527 0.891,528 1.109,529 0.978,530 0.825,531 1.017,532 0.871,533 1.035,534 1.032,535 0.972,536 0.967,537 0.833,538 0.911,539 0.954,540 0.943,541 6,542 0.073,543 4.444,544 2.479,545 1.573,546 1.246,547 0.656,548 0.365,549 0.369,550 0.268,551 8433,552 27958,553 2.088,554 37.2,556 11,557 1,558 2,559 2,564 1.704,565 1.94,566 3.31,567 0.377,569 1,573 79.578,574 1.851,575 4.071,576 4.711,577 4.868,578 4.868,579 4.868,580 2.713,581 4.282,582 4.729,583 3.435,584 1205.81,585 8.223,586 14974.2,588 1,591 233.329,592 1.596,593 4.673,594 0.2,595 0.005,596 0.101,597 0.053,598 0.037,599 0.033,600 0.018,601 0.012,602 0.014,603 0.011,604 0.483,605 0.5,606 1,607 0.76,608 131.932,609 -0.002,610 -0.287,611 0.201,612 -0.152,613 -0.109,614 -0.004,615 0.038,616 0.123,617 0.071,618 0.192,619 0.147,620 0.11,621 -0.107,622 -0.066,623 -0.11,624 -0.082,625 -0.005,626 -0.024,627 -0.047,628 0.001,629 -0.235,630 -0.15,631 -0.082,632 -0.157,633 -0.055,634 0.033,635 0.024,636 0.156,637 -0.151,638 0.119,639 -0.152,640 -0.242,641 -0.126,642 -0.187,643 -0.075,644 -0.151,645 0.019,646 0.145,647 -0.085,648 0.024,649 -0.095,650 -0.075,651 -0.05,652 -0.071,653 0.17,654 0.061,655 -0.057,656 0.104,657 4.69,658 5.955,659 0.778,660 21.58,661 1.025,662 1.131,663 0.354,664 0.125,665 0.694,666 3.434,667 3.807,668 4.127,669 4.382,670 4.595,671 4.673,672 4.804,673 4.92,674 5.03,675 5.118,676 5.941,677 0.677,678 384.46,679 3.434,680 5.004,681 5.883,682 6.788,683 7.685,684 8.594,685 9.496,686 10.406,687 11.31,688 12.222,689 14,692 1,693 1,697 1,698 1,699 2,703 1,704 6,705 2,709 5,711 16,713 1,722 1,731 43,733 19,735 30,737 46,738 17,739 12,746 4,747 5,760 1,761 12,762 4,766 2,769 1,771 2,777 1,778 1,781 16,782 8,783 2,784 10,785 1,787 1,790 6,794 0.75,795 3,805 2,811 1,812 3,815 1,839 1,840 3,842 1,848 27,849 1,852 1,854 4,856 1,859 1,861 1,866 1,868 1,870 7,873 2,874 1,877 13.917,878 7.75,879 5.861,880 2.413,881 3.485,882 1.459,883 1.021,884 4.485,885 11.072,886 3.761,887 4.416,888 5.049,889 5.653,890 6.192,891 6.606,892 7.07,893 7.526,894 7.91,895 8.363,896 0.857,897 47,898 10.241,900 4.77,901 8.052,902 18.601,904 15.674,905 2.552,906 68.917,910 164.795,911 106.098,912 100.333,914 55.313,916 5.807,917 100.291,918 220.108,919 100.333,921 13.396,922 76.181,923 130.743,924 59.881,925 16.856,926 129.482,928 164.795,929 200.623,930 55.313,931 5.807,933 164.795,934 44.313,935 11,937 67.071,938 99.982,939 39.378,941 164.795,942 155.645,943 106.098,945 5.807,946 164.795,947 28.118,948 58.376,949 16.602,950 152.84,951 164.795,952 155.645,953 106.098,955 0.593,956 0.364,957 0.195,958 0.102,959 23,960 10,961 0.065,962 3,963 1,964 1.095,965 3.764,966 242.885,967 0.095,968 21,969 122.382,973 1,974 17.749,975 6.822,976 3.126,977 0.625,978 154.359,979 9.771,980 8.225,984 1.578,986 32.897,987 426.539,988 42,991 -3.773,993 25.91,999 44.087,1000 48.614,1001 0.341,1002 0.75,1003 0.868,1004 0.897,1005 0.897,1006 0.897,1007 5.03,1008 1.306,1009 5.916,1010 4.267,1011 4.489,1012 5.103,1013 2.405,1014 6.823,1015 4.365,1016 6.293,1017 1.223,1018 7.547,1019 3.3,1020 4.29,1021 5.231,1023 8.122,1024 4.097,1025 7.663,1026 1,1027 9.297,1028 3.177,1029 6.217,1030 7.495,1031 3.595,1032 11.227,1033 5.962,1034 9.08,1035 1,1036 11.122,1037 2.525,1038 6.868,1039 8.472,1041 13.38,1042 6.524,1043 10.535,1044 0.792,1045 12.998,1046 2.136,1047 8.314,1048 10.257,1049 4.968,1050 16.107,1051 7.906,1052 12.018,1053 0.269,1054 14.909,1055 1.734,1056 9.315,1057 11.571,1059 18.561,1060 8.81,1061 13.523,1062 -0.054,1063 16.846,1064 0.437,1065 10.607,1066 13.197,1067 6.379,1068 21.201,1069 10.028,1070 3.548,1071 -0.624,1072 18.803,1073 -0.124,1074 11.75,1075 14.647,1077 23.763,1078 11.073,1079 3.113,1080 13.887,1081 20.776,1082 -1.497,1083 12.998,1084 16.219,1085 7.797,1086 26.386,1087 12.237,1088 2.765,1089 10.416,1090 22.762,1091 4.802,1092 14.199,1093 17.725,1095 28.988,1096 13.342,1097 2.398,1098 9.027,1099 24.758,1100 4.533,1101 15.439,1102 19.28,1103 9.217,1104 31.611,1105 14.492,1106 1.988,1107 7.641,1108 26.763,1109 3.757,1110 16.667,1111 20.811,1113 34.229,1114 15.623,1115 1.947,1116 5.875,1117 28.774,1118 3.178,1119 17.909,1120 22.362,1121 10.638,1122 36.854,1123 16.773,1124 1.492,1125 5.12,1126 30.791,1127 2.825,1128 19.15,1129 23.904,1131 39.479,1132 17.917,1133 8027,1134 14761,1135 19.879,1136 29.852,1137 47.034,1138 49.746,1139 47.356,1140 45.692,1141 45.682,1142 61.854,1143 6.589,1144 139.081,1145 42.874,1146 5.963,1147 6.745,1148 7.523,1149 5.573,1150 5.548,1151 7.802,1152 4.069,1153 22.141,1154 5.203,1155 12.903,1156 1.568,1157 1.658,1158 1.579,1159 1.523,1160 1.523,1161 2.062,1162 0.22,1163 4.636,1164 1.429,1165 4.159,1166 4.19,1167 4.743,1168 4.085,1169 7.715,1170 4.049,1171 4.045,1172 4.043,1173 4.099,1174 3.938,1175 6.999,1176 3.906,1177 3.744,1178 3.792,1179 3.716,1180 3.583,1181 6.82,1182 3.585,1183 3.505,1184 3.502,1185 3.512,1186 3.366,1187 5.156,1188 3.354,1189 3.354,1190 3.379,1191 3.331,1192 3.21,1193 5.015,1194 3.19,1195 3.111,1196 3.206,1197 3.024,1198 2.941,1199 4.611,1200 2.91,1201 3.075,1202 3.155,1203 2.866,1204 2.871,1205 4.561,1206 2.894,1207 2.887,1208 2.982,1209 2.772,1210 2.633,1211 4.196,1212 2.664,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.963,1219 0.16,1220 4.745,1221 0.068,1222 7.721,1223 0.463,1224 4.469,1225 0.108,1226 3.548,1227 4.802,1228 2.035,1229 13.887,1230 3.244,1231 2.001,1232 1.992,1233 2.038,1234 2.112,1235 1.274,1236 2.115,1237 1.844,1238 1.833,1239 1.904,1240 2.007,1241 1.157,1242 2.012,1243 1.65,1244 1.599,1245 1.784,1246 1.862,1247 0.944,1248 1.85,1249 1.484,1250 1.444,1251 1.567,1252 1.644,1253 0.825,1254 1.625,1255 1.271,1256 1.294,1257 1.513,1258 1.459,1259 0.543,1260 1.486,1261 1.153,1262 1.064,1263 1.255,1264 1.376,1265 0.478,1266 1.429,1267 1.011,1268 0.95,1269 1.105,1270 1.319,1271 0.191,1272 1.308,1273 0.803,1274 0.714,1275 1.039,1276 1.091,1277 0.06,1278 1.075,1279 4.111,1281 5.468,1282 2.398,1283 7.034,1284 4.727,1285 8.69,1286 6.823,1287 10.391,1293 5.874,1295 1.248,1297 5.221,1300 1.348,1303 9.183,1304 2.067,1305 29.094,1306 79.578,1307 175.065,1308 202.574,1309 209.329,1310 209.329,1311 209.329,1312 55.617,1313 7.587,1314 126.61,1315 134.99,1316 23,1317 12.737,1318 4.322,1319 3.7,1320 40.099,1321 97,1322 93,1323 0.206,1324 181.806,1325 307.64,1326 435.365,1327 19799,1329 19.018,1330 0.704,1331 0.558,1332 19.268,1333 15.055,1334 13.002,1335 0.433,1336 0.322,1337 8.174,1338 11.584,1339 7.934,1340 6.491,1341 13.791,1342 9.655,1343 12.056,1344 0.274,1345 0.18,1346 13.356,1347 7.931,1348 10.643,1349 0.174,1350 0.104,1351 11.992,1352 6.351,1353 8.784,1354 0.111,1355 0.057,1356 10.045,1357 4.481,1358 6.924,1359 0.071,1360 0.031,1361 7.935,1362 3.009,1363 0.317,1364 90.541,1365 0.224,1366 25.512,1367 0.583,1368 148,1369 497.605,1370 205.509,1371 498.698,1372 674.58,1373 460,1374 179,1375 466.726,1376 247.384,1377 508.476,1378 746.36,1379 476,1380 7.328}
{0 CHEMBL1765624,1 1.782,2 11.548,3 0.596,4 0.356,5 116.699,6 8.083,7 0.457,8 4.151,9 4.258,10 3.921,11 3.637,12 5.186,13 3.629,14 4.743,15 4.906,16 4.252,17 4.054,18 5.932,19 4.033,20 4.958,21 5.143,22 4.348,23 4.245,24 6.009,25 4.177,26 5.047,27 5.24,28 4.296,29 4.258,30 6.27,31 4.178,32 5.045,33 5.269,34 4.188,35 4.184,36 6.19,37 4.114,38 4.887,39 5.091,40 4.125,41 4.123,42 5.976,43 4.053,44 4.899,45 5.124,46 4.026,47 4.054,48 5.993,49 3.963,50 4.778,51 5.008,52 3.92,53 3.938,54 5.736,55 3.837,56 0.154,57 0.903,58 13.546,59 4.936,60 19.929,61 6.002,62 0.715,63 1.433,64 24.848,65 8.25,66 61.47,67 10.128,68 0.718,69 1.742,70 37.45,71 11.418,72 49.283,73 14.107,74 0.873,75 1.785,76 40.86,77 12.701,78 116.634,79 15.717,80 1.01,81 1.678,82 37.682,83 11.43,84 105.105,85 15.401,86 0.528,87 1.578,88 30.462,89 9.921,90 53.619,91 13.487,92 0.797,93 1.49,94 31.64,95 10.121,96 69.859,97 13.657,98 0.469,99 1.299,100 28.814,101 9.429,102 43.143,103 13.094,104 10,105 51,106 0.292,107 0.612,108 0.73,109 0.786,110 0.815,111 0.815,112 3.472,113 0.996,114 -2.03,115 -2.08,116 -2.07,119 36.4,125 8,142 3,143 2,144 1,145 2,147 1,151 1,153 1,161 1,163 1,164 1,165 1,172 4,174 5,175 4,177 1,178 1,183 3,186 3,187 8,192 1,195 2,197 1,198 3,199 8,201 3,202 3,204 1,207 1,209 1,211 4,212 7,217 1,222 1,223 1,224 6,229 1,234 1,236 6,237 6,239 2,240 2,242 1,247 1,250 3,262 6,263 2,265 2,266 2,275 1531,276 21.117,277 21.117,278 21.117,279 21.117,280 21.117,281 19.059,282 21.946,283 12.337,284 21.969,285 17.283,286 17.283,287 17.283,288 17.283,289 17.283,290 14,291 27.018,292 5.845,293 18.652,294 4,295 2.041,296 1.323,297 0.982,298 0.8,299 0.8,300 4.18,304 1,305 1,306 795,307 3.24,310 70.928,311 368.603,314 123.349,318 1.657,319 41.773,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 69,331 358,332 4.963,333 4.745,334 7.721,335 4.469,336 3.548,337 4.802,338 0.86,339 13.887,340 3.244,341 4.598,342 3.299,343 6.726,344 4.112,345 3.182,346 4.53,347 0.86,348 10.973,349 2.972,350 4.159,351 2.889,352 6.189,353 3.783,354 2.807,355 3.757,356 0.8,357 9.148,358 2.725,359 3.77,360 2.738,361 5.896,362 3.423,363 2.489,364 3.184,365 0.4,366 7.809,367 2.326,368 3.607,369 2.584,370 5.702,371 3.28,372 2.341,373 2.887,375 7.475,376 2.188,377 3.124,378 2.319,379 4.867,380 2.87,381 1.96,382 2.204,384 5.12,385 1.774,386 3.02,387 2.186,388 4.639,389 2.675,390 1.75,391 2.147,393 4.659,394 1.616,395 2.964,396 1.944,397 4.402,398 2.454,399 1.492,400 2.119,402 4.221,403 1.433,404 2.655,405 1.55,406 4.032,407 2.226,408 1.318,409 1.699,411 3.277,412 1.189,413 2.647,414 1.511,415 4,416 2.195,417 1.305,418 1.697,420 3.18,421 1.156,422 2.327,423 1.256,424 3.53,425 1.955,426 1.037,427 1.295,428 2.566,429 0.946,430 2.238,431 1.256,432 3.499,433 1.952,434 1,435 1.191,436 2.523,437 0.946,438 2,439 1.125,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 1.113,449 3.247,450 1.919,451 1,452 1,454 2.136,455 0.911,456 1.94,457 0.615,458 3.21,459 1.491,460 0.549,461 0.752,463 1.375,464 0.515,465 14.567,466 0.47,467 0.807,468 0.026,469 40.25,470 1.298,471 18,472 0.581,473 22.25,474 0.718,475 26.189,476 0.845,477 34.633,478 0.63,479 33.088,480 1.067,481 7.787,482 0.251,483 7.25,484 0.234,485 0.073,486 0.057,487 0.288,493 0.75,494 1.654,495 0.784,496 1.363,497 0.718,498 1.014,499 1.125,500 0.985,501 0.87,502 0.79,503 0.657,504 0.813,505 1.034,506 1.12,507 1.219,508 1.156,509 0.83,510 0.98,511 1.008,512 1.115,513 1.252,514 1.239,515 1.485,516 1.123,517 1.027,518 0.89,519 0.871,520 0.791,521 1.428,522 0.882,523 0.853,524 1.229,525 0.983,526 1.127,527 0.808,528 1.113,529 0.839,530 0.861,531 0.956,532 0.932,533 0.974,534 1.055,535 0.803,536 1.158,537 0.805,538 1.066,539 0.796,540 1.06,541 6,542 0.205,543 4.667,544 2.569,545 1.649,546 1.309,547 0.777,548 0.405,549 0.336,550 0.334,551 13086,552 36973,553 2.151,554 43.6,556 19,557 1,558 2,559 2,564 1.739,565 2.033,566 3.502,567 0.321,569 1,573 97.987,574 1.782,575 3.74,576 4.459,577 4.8,578 4.981,579 4.981,580 2.901,581 4.478,582 4.928,583 3.626,584 1686.29,585 8.618,586 23295,588 1,591 317.975,592 1.459,593 4.889,594 0.171,595 0.008,596 0.092,597 0.048,598 0.032,599 0.027,600 0.017,601 0.01,602 0.01,603 0.01,604 0.426,605 0.33,606 0.75,607 0.486,608 159.431,609 0.003,610 -0.373,611 0.207,612 -0.176,613 -0.131,614 -0.022,615 -0.03,616 0.146,617 0.054,618 0.188,619 0.154,620 0.107,621 -0.102,622 -0.009,623 -0.067,624 0.001,625 -0.008,626 0.017,627 -0.028,628 -0.059,629 -0.161,630 -0.14,631 -0.015,632 -0.132,633 -0.012,634 0.063,635 0.023,636 0.119,637 -0.084,638 0.087,639 -0.076,640 -0.168,641 -0.092,642 -0.15,643 -0.032,644 -0.128,645 0.053,646 0.142,647 -0.067,648 -0.015,649 -0.048,650 -0.088,651 -0.007,652 -0.22,653 0.105,654 -0.089,655 -0.039,656 -0.03,657 4.672,658 6.14,659 0.871,660 28.077,661 1.017,662 1.136,663 0.8,664 0.64,665 0.661,666 3.584,667 3.951,668 4.277,669 4.554,670 4.796,671 4.89,672 5.063,673 5.204,674 5.342,675 5.485,676 6.692,677 0.635,678 444.57,679 3.584,680 5.153,681 6.033,682 6.936,683 7.834,684 8.743,685 9.647,686 10.56,687 11.467,688 12.381,689 10.9,692 1,693 1,695 1,697 1,699 2,703 1,704 6,705 2,709 5,711 16,722 1,726 1,731 55,733 18,735 35,737 59,738 20,739 12,746 5,747 6,761 12,762 8,766 2,769 1,771 2,778 1,781 24,782 9,783 2,784 11,785 1,787 1,790 6,794 0.8,795 4,805 2,811 1,812 4,815 1,839 2,840 4,842 1,848 31,849 1,852 1,854 8,856 2,859 2,870 7.3,873 2,874 2,877 15.25,878 9.667,879 6.639,880 3.217,881 3.334,882 1.405,883 1.023,884 5.582,885 11.561,886 3.829,887 4.474,888 5.081,889 5.678,890 6.22,891 6.633,892 7.122,893 7.584,894 7.972,895 8.421,896 0.875,897 54,898 11.788,900 5.434,901 7.82,902 22.068,904 18.834,905 2.32,906 71.917,910 258.964,911 102.464,912 72.398,914 66.313,916 5.807,917 96.656,918 325.277,919 72.398,921 26.792,922 76.181,923 125.141,924 34.274,925 14.099,926 223.651,928 258.964,929 169.054,930 66.313,931 5.807,933 258.964,934 44.313,935 22,937 51.735,938 83.747,939 39.378,941 258.964,942 138.71,943 102.464,945 5.807,946 258.964,947 41.085,948 61.5,950 132.781,951 258.964,952 138.71,953 102.464,955 0.591,956 0.357,957 0.195,958 0.105,959 27,960 11,961 0.068,962 4,963 1,964 1.074,965 4.166,966 299.071,967 0.074,968 27,969 141.58,973 1,974 20.669,975 8.372,976 3.903,977 0.815,978 137.424,979 10.806,980 8.677,984 2.485,986 32.897,987 500.138,988 45,991 -3.756,993 26.28,999 55.949,1000 62.484,1001 0.308,1002 0.647,1003 0.771,1004 0.83,1005 0.862,1006 0.862,1007 5.1,1008 1.492,1009 6.052,1010 4.659,1011 4.635,1012 5.162,1013 1.656,1014 6.948,1015 4.493,1016 6.332,1017 1.318,1018 7.67,1019 4.221,1020 4.369,1021 5.263,1022 0.325,1023 8.204,1024 4.159,1025 7.691,1026 1.305,1027 9.409,1028 3.277,1029 6.34,1030 7.512,1031 1.308,1032 11.324,1033 6.059,1034 9.099,1035 1.037,1036 11.224,1037 3.18,1038 6.948,1039 8.484,1040 0.268,1041 13.454,1042 6.583,1043 10.55,1044 1,1045 13.092,1046 2.566,1047 8.416,1048 10.26,1049 1.064,1050 16.182,1051 7.981,1052 12.032,1053 1,1054 14.996,1055 2.523,1056 9.393,1057 11.575,1058 0.188,1059 18.621,1060 8.865,1061 13.536,1062 1,1063 16.927,1064 2.136,1065 10.692,1066 13.197,1067 0.862,1068 21.257,1069 10.087,1070 3.548,1071 0.549,1072 18.878,1073 2.136,1074 11.823,1075 14.648,1076 0.125,1077 23.808,1078 11.122,1079 3.182,1080 13.887,1081 20.845,1082 1.375,1083 13.071,1084 16.218,1085 0.69,1086 26.426,1087 12.287,1088 2.807,1089 10.973,1090 22.826,1091 4.802,1092 14.266,1093 17.724,1094 0.082,1095 29.021,1096 13.386,1097 2.489,1098 9.148,1099 24.816,1100 4.53,1101 15.504,1102 19.279,1103 0.544,1104 31.639,1105 14.535,1106 2.341,1107 7.809,1108 26.816,1109 3.757,1110 16.727,1111 20.809,1112 0.054,1113 34.252,1114 15.663,1115 1.96,1116 7.475,1117 28.822,1118 3.184,1119 17.967,1120 22.36,1121 0.424,1122 36.874,1123 16.811,1124 1.75,1125 5.12,1126 30.835,1127 2.887,1128 19.204,1129 23.902,1130 0.035,1131 39.495,1132 17.953,1133 12115,1134 20536,1135 23.75,1136 36.352,1137 53.453,1138 54.944,1139 54.392,1140 53.572,1141 53.556,1142 68.529,1143 5.84,1144 160.966,1145 49.779,1146 5.963,1147 6.745,1148 7.523,1149 5.573,1150 5.548,1151 7.802,1152 1.72,1153 22.141,1154 5.203,1155 12.14,1156 1.527,1157 1.57,1158 1.554,1159 1.531,1160 1.53,1161 1.958,1162 0.167,1163 4.599,1164 1.422,1165 4.166,1166 4.201,1167 4.743,1168 4.086,1169 7.715,1170 4.049,1171 4.047,1172 4.045,1173 4.104,1174 3.936,1175 6.999,1176 3.904,1177 3.77,1178 3.819,1179 3.727,1180 3.601,1181 5.158,1182 3.604,1183 3.696,1184 3.751,1185 3.588,1186 3.488,1187 5.041,1188 3.502,1189 3.485,1190 3.47,1191 3.509,1192 3.331,1193 4.617,1194 3.303,1195 3.283,1196 3.329,1197 3.224,1198 3.118,1199 4.609,1200 3.114,1201 3.111,1202 3.206,1203 2.895,1204 2.941,1205 4.558,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.205,1212 2.91,1213 0.142,1214 0.136,1215 0.221,1216 0.128,1217 0.101,1218 4.963,1219 0.137,1220 4.745,1221 0.025,1222 7.721,1223 0.397,1224 4.469,1225 0.093,1226 3.548,1227 4.802,1228 0.86,1229 13.887,1230 3.244,1231 2.001,1232 1.991,1233 2.043,1234 2.119,1235 1.275,1236 2.118,1237 1.849,1238 1.835,1239 1.922,1240 2.021,1241 1.224,1242 2.026,1243 1.708,1244 1.654,1245 1.899,1246 1.936,1247 1.136,1248 1.931,1249 1.638,1250 1.586,1251 1.775,1252 1.848,1253 0.938,1254 1.838,1255 1.321,1256 1.295,1257 1.513,1258 1.532,1259 0.825,1260 1.517,1261 1.265,1262 1.264,1263 1.513,1264 1.458,1265 0.825,1266 1.485,1267 1.153,1268 1.064,1269 1.471,1270 1.376,1271 0.544,1272 1.429,1273 1.153,1274 1.064,1275 1.25,1276 1.376,1277 0.478,1278 1.429,1279 4.263,1281 5.617,1282 2.398,1283 7.18,1284 4.727,1285 8.832,1286 6.843,1287 10.53,1293 5.974,1295 4.287,1297 10.724,1300 3.617,1305 34.916,1306 97.987,1307 205.71,1308 245.22,1309 263.975,1310 273.975,1311 273.975,1312 57.328,1313 8.227,1314 115.29,1315 123.67,1316 29,1317 12.895,1318 4.248,1319 3.459,1320 43.562,1321 125,1322 123,1323 0.17,1324 213.04,1325 361.25,1326 511.578,1327 45735,1329 21.424,1330 0.691,1331 0.574,1332 21.674,1333 17.792,1334 15.037,1335 0.43,1336 0.332,1337 10.074,1338 13.421,1339 9.825,1340 7.981,1341 15.826,1342 11.615,1343 13.95,1344 0.274,1345 0.184,1346 15.25,1347 9.392,1348 12.281,1349 0.173,1350 0.106,1351 13.63,1352 7.552,1353 10.35,1354 0.11,1355 0.058,1356 11.612,1357 5.411,1358 8.407,1359 0.07,1360 0.031,1361 9.418,1362 3.695,1363 0.265,1364 103.97,1365 0.205,1366 28.811,1367 0.474,1368 172,1369 545.34,1370 234.164,1371 531.471,1372 727.32,1373 496,1374 208,1375 507.771,1376 281.651,1377 544.889,1378 808.44,1379 512,1380 6.319}
{0 CHEMBL1765625,1 1.963,2 11.586,3 3.042,4 9.251,5 102.166,6 10.285,7 0.688,8 3.851,9 3.925,10 3.818,11 3.481,12 5.178,13 3.488,14 4.333,15 4.431,16 4.132,17 3.847,18 5.887,19 3.859,20 4.568,21 4.701,22 4.24,23 3.968,24 6.007,25 3.958,26 4.629,27 4.781,28 4.194,29 3.887,30 6.39,31 3.881,32 4.508,33 4.682,34 3.971,35 3.752,36 5.931,37 3.742,38 4.348,39 4.497,40 3.959,41 3.706,42 6.014,43 3.699,44 4.363,45 4.54,46 3.837,47 3.64,48 5.818,49 3.623,50 4.235,51 4.409,52 3.753,53 3.495,54 5.738,55 3.489,56 0.199,57 0.788,58 4.857,59 3.489,60 34.004,61 2.635,62 0.497,63 1.234,64 7.184,65 5.408,66 71.232,67 4.359,68 0.687,69 1.566,70 13.481,71 7.91,72 109.91,73 6.262,74 1.123,75 1.639,76 20.279,77 8.61,78 191.275,79 7.204,80 0.841,81 1.225,82 16.809,83 7.135,84 144.952,85 6.17,86 0.683,87 1.167,88 11.167,89 5.999,90 112.415,91 5.78,92 0.655,93 1.187,94 14.895,95 6.274,96 95.628,97 5.551,98 0.583,99 1,100 12.58,101 5.513,102 94.345,103 5.164,104 27,105 47,106 0.335,107 0.638,108 0.805,109 0.9,110 0.9,111 0.9,112 3.408,113 0.906,114 -3.01,115 -3.01,116 -2.9,119 47.5,142 6,143 2,144 4,145 3,151 1,152 1,158 1,161 1,172 5,174 2,175 4,178 2,180 1,183 4,186 1,187 7,190 1,192 2,195 3,198 1,199 9,204 3,207 1,211 3,212 6,217 1,220 1,224 6,227 1,229 1,232 3,236 1,237 5,245 3,249 3,250 2,253 1,258 3,263 1,266 1,271 3,275 1275,276 19.289,277 19.289,278 19.289,279 19.289,280 19.289,281 16.316,282 11.695,283 11.014,284 19.785,285 15.724,286 15.724,287 15.724,288 15.724,289 15.724,290 11.103,291 7.805,292 5.128,293 16.629,294 3.359,295 1.587,296 0.607,297 0.05,298 0.05,299 0.05,300 4.1,304 1,305 1,306 729,307 3.536,310 70.287,311 269.17,314 120.24,318 1.738,319 54.224,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65.5,331 336,332 4.891,333 4.715,334 7.401,335 4.356,336 3.439,337 4.748,338 2.035,339 12.883,340 3.126,341 4.585,342 4.072,343 6.564,344 4.063,345 3.117,346 4.536,348 10.418,349 2.962,350 4.189,351 3.081,352 6.127,353 3.77,354 2.796,355 3.817,357 9.025,358 2.706,359 3.985,360 3.01,361 5.703,362 3.506,363 2.554,364 3.581,366 7.623,367 2.42,368 3.696,369 2.81,370 5.246,371 3.208,372 2.245,373 3.092,375 6.568,376 2.155,377 3.548,378 2.577,379 5.104,380 2.931,381 1.969,382 2.803,384 5.865,385 1.892,386 3.286,387 2.367,388 4.861,389 2.807,390 1.884,391 2.555,393 5.32,394 1.714,395 3.023,396 1.978,397 4.375,398 2.438,399 1.485,400 2.151,402 4.145,403 1.413,404 2.946,405 1.584,406 4.121,407 2.246,408 1.279,409 1.879,411 3.344,412 1.229,413 2.743,414 1.417,415 4.057,416 2.187,417 1.24,418 1.833,420 3.244,421 1.17,422 2.671,423 1.253,424 3.489,425 2.05,426 1.102,427 1.653,428 2.537,429 1.041,430 2.544,431 1.101,432 3.266,433 1.72,434 0.774,435 1.248,436 1.706,437 0.73,438 2.054,439 0.734,440 3.228,441 1.188,442 0.251,443 0.469,445 0.399,446 0.235,447 1.274,448 0.72,449 2.74,450 0.903,456 1.197,457 0.235,458 2.667,459 0.747,460 -0.184,461 -0.243,463 -0.493,464 -0.171,465 13.571,466 0.468,467 0.889,468 0.031,469 45.75,470 1.578,471 26.5,472 0.914,473 19.25,474 0.664,475 18.013,476 0.621,477 29.629,478 0.741,479 36.656,480 1.264,481 8.987,482 0.31,483 4.882,484 0.168,485 0.121,486 0.061,487 0.324,491 2,493 0.546,494 1.038,495 0.709,496 1.147,497 0.579,498 0.806,499 0.665,500 0.974,501 0.831,502 0.95,503 0.571,504 0.884,505 1.035,506 1.067,507 1.082,508 1.127,509 0.987,510 1.087,511 0.887,512 0.923,513 1.274,514 1.202,515 0.858,516 1.123,517 1.06,518 0.704,519 0.963,520 0.765,521 1.146,522 0.912,523 0.579,524 0.89,525 0.833,526 0.987,527 0.571,528 1.031,529 1.016,530 0.918,531 1.195,532 1.046,533 0.964,534 1.076,535 0.933,536 0.868,537 0.98,538 0.894,539 1.032,540 0.937,541 7.5,542 0.222,543 4.222,544 2.792,545 1.649,546 1.219,547 0.597,548 0.477,549 0.328,550 0.263,551 10831,552 42943,553 2.061,554 27.5,556 6,557 1,558 3,559 1,564 1.719,565 1.902,566 3.483,567 -0.234,568 1,569 1,573 78.503,574 1.963,575 3.735,576 4.715,577 5.272,578 5.272,579 5.272,580 2.928,581 4.582,582 4.833,583 3.642,584 1478.56,585 8.411,586 19875.6,588 1,590 1,591 212.877,592 1.636,593 4.769,594 0.234,595 0.009,596 0.09,597 0.058,598 0.037,599 0.033,600 0.016,601 0.014,602 0.011,603 0.011,604 0.513,605 0.33,606 1,607 0.772,608 147.203,609 0.007,610 -0.142,611 0.164,612 -0.134,613 -0.074,614 -0.001,615 0.053,616 -0.074,617 -0.062,618 -0.044,619 0.094,620 -0.083,621 -0.148,622 -0.101,623 -0.094,624 -0.109,625 -0.136,626 -0.147,627 0.151,628 0.044,629 -0.126,630 -0.122,631 0.198,632 -0.111,633 -0.149,634 0.052,635 0.025,636 0.172,637 -0.201,638 0.137,639 0.233,640 -0.017,641 0.072,642 -0.054,643 0.228,644 -0.045,645 -0.128,646 -0.003,647 -0.141,648 -0.048,649 -0.107,650 -0.039,651 -0.037,652 -0.042,653 0.058,654 0.081,655 -0.089,656 0.113,657 5.203,658 5.872,659 0.724,660 25.617,661 1.045,662 1.129,663 1.781,664 3.171,665 0.738,666 3.497,667 3.871,668 4.143,669 4.419,670 4.585,671 4.691,672 4.754,673 4.89,674 4.934,675 5.05,676 6.741,677 0.74,678 411.42,679 3.497,680 5.069,681 5.932,682 6.836,683 7.713,684 8.62,685 9.5,686 10.407,687 11.289,688 12.197,689 12.5,694 1,697 1,698 1,699 2,703 1,704 10,705 2,709 7,711 22,713 1,730 2,731 40,733 25,734 1,735 32,737 43,738 19,739 18,740 3,741 3,746 4,747 5,760 1,761 18,766 2,769 1,771 2,778 1,779 2,781 11,782 8,783 1,784 10,785 1,787 1,790 5,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,846 2,848 29,852 1,855 1,861 1,866 1,868 1,869 2,870 5,873 2,877 15.25,878 7.419,879 6.236,880 2.149,881 4.403,882 1.568,883 1.041,884 4.658,885 12.157,886 3.871,887 4.557,888 5.166,889 5.798,890 6.317,891 6.693,892 7.087,893 7.527,894 7.839,895 8.273,896 0.875,897 48,898 11.138,900 5.399,901 8.371,902 19.31,904 16.085,905 2.871,906 83.25,909 1,910 117.711,911 148.849,912 82.322,914 44.313,915 29.92,916 5.807,917 143.042,918 162.024,919 112.242,922 71.712,923 147.919,924 88.409,925 44.448,926 70.627,928 117.711,929 225.364,930 74.233,931 5.807,933 147.631,934 44.313,937 61.203,938 114.184,939 55.783,941 147.631,942 126.635,943 148.849,945 5.807,946 117.711,947 33.393,948 94.334,949 33.007,950 138.864,951 117.711,952 156.555,953 148.849,955 0.595,956 0.351,957 0.191,958 0.096,959 24,960 11,961 0.093,962 4,963 1,964 1.095,965 3.97,966 261.065,967 0.095,968 21,969 138.881,973 1,974 18.863,975 7.161,976 3.631,977 0.585,978 155.269,979 13.07,980 8.124,984 -1.093,986 16.405,987 423.115,988 47,991 -4.286,993 24.911,999 41.8,1000 45.171,1001 0.369,1002 0.702,1003 0.886,1004 0.991,1005 0.991,1006 0.991,1007 5.127,1008 1.485,1009 5.969,1010 5.32,1011 4.554,1012 5.244,1013 2.228,1014 6.847,1015 4.442,1016 6.406,1017 1.279,1018 7.578,1019 4.145,1020 4.369,1021 5.338,1023 8.05,1024 4.163,1025 7.771,1026 1.24,1027 9.297,1028 3.344,1029 6.26,1030 7.63,1031 3.563,1032 11.107,1033 6.022,1034 9.177,1035 1.102,1036 11.082,1037 3.244,1038 6.868,1039 8.53,1041 13.136,1042 6.517,1043 10.615,1044 0.774,1045 12.913,1046 2.537,1047 8.293,1048 10.338,1049 4.962,1050 15.8,1051 7.905,1052 12.078,1053 0.251,1054 14.776,1055 1.706,1056 9.242,1057 11.591,1059 18.145,1060 8.738,1061 13.561,1063 16.663,1064 0.399,1065 10.508,1066 13.224,1067 6.378,1068 20.707,1069 9.949,1070 3.439,1071 -0.184,1072 18.57,1074 11.603,1075 14.634,1077 23.171,1078 10.933,1079 3.117,1080 12.883,1081 20.492,1082 -0.493,1083 12.82,1084 16.202,1085 7.797,1086 25.712,1087 12.077,1088 2.796,1089 10.418,1090 22.426,1091 4.748,1092 13.978,1093 17.682,1095 28.224,1096 13.131,1097 2.554,1098 9.025,1099 24.371,1100 4.536,1101 15.183,1102 19.228,1103 9.217,1104 30.764,1105 14.252,1106 2.245,1107 7.623,1108 26.325,1109 3.817,1110 16.371,1111 20.74,1113 33.297,1114 15.337,1115 1.969,1116 6.568,1117 28.286,1118 3.581,1119 17.577,1120 22.28,1121 10.638,1122 35.841,1123 16.452,1124 1.884,1125 5.865,1126 30.252,1127 3.092,1128 18.779,1129 23.807,1131 38.384,1132 17.554,1133 10320,1134 20738,1135 20.978,1136 29.506,1137 50.136,1138 53.106,1139 50.708,1140 48.405,1141 48.27,1142 68.729,1143 4.069,1144 146.155,1145 45.583,1146 5.725,1147 6.715,1148 6.947,1149 5.422,1150 5.439,1151 7.748,1152 4.069,1153 20.64,1154 5.126,1155 15.651,1156 1.567,1157 1.66,1158 1.585,1159 1.513,1160 1.508,1161 2.148,1162 0.127,1163 4.567,1164 1.424,1165 4.148,1166 4.185,1167 4.738,1168 4.077,1169 8.211,1170 4.037,1171 4.067,1172 4.056,1173 4.105,1174 3.979,1175 8.191,1176 3.958,1177 3.829,1178 3.868,1179 3.791,1180 3.715,1181 7.716,1182 3.729,1183 3.607,1184 3.587,1185 3.734,1186 3.513,1187 6.999,1188 3.452,1189 3.383,1190 3.419,1191 3.339,1192 3.28,1193 6.82,1194 3.28,1195 3.035,1196 3.091,1197 3.005,1198 2.884,1199 5.04,1200 2.899,1201 2.902,1202 2.959,1203 2.859,1204 2.733,1205 4.86,1206 2.735,1207 2.835,1208 2.907,1209 2.739,1210 2.631,1211 4.457,1212 2.657,1213 0.153,1214 0.147,1215 0.231,1216 0.136,1217 0.107,1218 4.891,1219 0.148,1220 4.715,1221 0.064,1222 7.401,1223 0.403,1224 4.356,1225 0.098,1226 3.439,1227 4.748,1228 2.035,1229 12.883,1230 3.126,1231 1.988,1232 1.979,1233 2.044,1234 2.104,1235 1.181,1236 2.1,1237 1.929,1238 1.919,1239 1.931,1240 2.022,1241 1.127,1242 2.036,1243 1.724,1244 1.685,1245 1.809,1246 1.879,1247 0.881,1248 1.864,1249 1.484,1250 1.449,1251 1.567,1252 1.644,1253 0.544,1254 1.626,1255 1.394,1256 1.422,1257 1.211,1258 1.56,1259 0.516,1260 1.587,1261 1.002,1262 0.963,1263 1.118,1264 1.182,1265 0.218,1266 1.164,1267 0.86,1268 0.804,1269 1.054,1270 1.068,1271 0.15,1272 1.079,1273 0.767,1274 0.696,1275 1.039,1276 1.001,1277 0.059,1278 1.018,1279 4.174,1281 5.533,1282 2.398,1283 7.084,1284 4.727,1285 8.72,1286 6.823,1287 10.399,1291 26.926,1296 2.236,1303 9.151,1304 2.029,1305 29.598,1306 78.503,1307 149.393,1308 188.612,1309 210.877,1310 210.877,1311 210.877,1312 73.4,1313 7.754,1314 100.15,1315 108.53,1316 23,1317 12.719,1318 4.7,1319 4,1320 44.78,1321 119,1322 113,1323 0.185,1324 183.814,1325 315.77,1326 440.266,1327 25996,1328 5,1329 20.596,1330 0.71,1331 0.53,1332 19.105,1333 15.36,1334 13.869,1335 0.433,1336 0.302,1337 8.149,1338 12.453,1339 7.912,1340 6.519,1341 13.886,1342 9.661,1343 13.23,1344 0.281,1345 0.164,1346 13.364,1347 7.695,1348 10.867,1349 0.175,1350 0.089,1351 11.246,1352 5.542,1353 9.483,1354 0.116,1355 0.047,1356 9.597,1357 3.886,1358 6.906,1359 0.071,1360 0.026,1361 7.551,1362 2.496,1363 0.291,1364 96.385,1365 0.218,1366 27.451,1367 0.506,1368 158,1369 655.467,1370 215.175,1371 607.311,1372 799.82,1373 556,1374 188,1375 547.629,1376 255.85,1377 580.552,1378 843.85,1379 542,1380 8}
{0 CHEMBL1765626,1 1.984,2 13.03,3 2.814,4 7.916,5 113.781,6 9.968,7 0.73,8 4.026,9 4.105,10 3.951,11 3.6,12 5.307,13 3.619,14 4.519,15 4.63,16 4.286,17 3.968,18 6.019,19 3.994,20 4.704,21 4.841,22 4.345,23 4.064,24 6.08,25 4.066,26 4.781,27 4.937,28 4.339,29 4.023,30 6.446,31 4.028,32 4.688,33 4.852,34 4.182,35 3.936,36 6.053,37 3.944,38 4.582,39 4.734,40 4.151,41 3.922,42 6.124,43 3.921,44 4.638,45 4.824,46 4.036,47 3.889,48 5.959,49 3.865,50 4.52,51 4.702,52 3.967,53 3.761,54 5.875,55 3.747,56 0.27,57 0.921,58 6.341,59 4.154,60 29.913,61 3.397,62 0.632,63 1.441,64 10.884,65 6.604,66 68.806,67 5.903,68 0.849,69 1.741,70 16.939,71 8.719,72 95.395,73 6.842,74 1.262,75 1.845,76 23.129,77 9.257,78 174.544,79 8.054,80 0.984,81 1.444,82 19.269,83 8.029,84 128.481,85 7.091,86 0.831,87 1.425,88 14.356,89 7.289,90 102.243,91 7.073,92 0.844,93 1.459,94 19.961,95 8.019,96 90.095,97 7.779,98 0.756,99 1.262,100 17.059,101 7.219,102 78.61,103 7.261,104 26,105 55,106 0.328,107 0.668,108 0.815,109 0.894,110 0.894,111 0.894,112 3.532,113 0.891,114 -4.33,115 -4.27,116 -4.03,119 44.7,120 1,142 6,143 2,144 4,145 3,149 1,151 1,152 1,161 2,166 1,172 5,174 4,175 6,178 2,180 1,183 4,186 2,187 8,190 1,192 2,195 3,198 3,199 9,204 3,207 1,211 4,212 9,217 1,220 1,224 11,227 1,229 1,232 3,236 1,237 8,245 5,249 4,250 3,253 1,258 5,262 1,263 1,266 2,271 4,275 1875,276 21.936,277 21.936,278 21.936,279 21.936,280 21.936,281 18.471,282 10.796,283 12.531,284 22.518,285 18.273,286 18.273,287 18.273,288 18.273,289 18.273,290 13.008,291 6.931,292 5.969,293 19.311,294 3.57,295 1.511,296 0.617,297 0.144,298 0.144,299 0.144,300 4.234,304 1,305 1,306 949,307 3.536,310 163.497,311 307.273,314 136.002,318 1.912,319 56.789,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 75,331 430,332 4.891,333 4.715,334 7.401,335 4.356,336 3.439,337 4.748,339 12.883,340 3.126,341 4.628,342 3.197,343 6.731,344 4.135,345 3.193,346 4.57,348 10.993,349 3.013,350 4.223,351 3.012,352 6.165,353 3.831,354 2.85,355 3.856,357 9.165,358 2.787,359 4.037,360 2.875,361 5.777,362 3.555,363 2.608,364 3.68,366 7.918,367 2.466,368 3.976,369 2.677,370 5.698,371 3.487,372 2.537,373 3.576,375 7.602,376 2.399,377 3.628,378 2.573,379 5.24,380 3.196,381 2.233,382 3.055,384 6.549,385 2.143,386 3.397,387 2.366,388 5.032,389 2.981,390 2.014,391 2.737,393 5.862,394 1.942,395 3.286,396 2.113,397 4.861,398 2.809,399 1.887,400 2.555,402 5.321,403 1.715,404 2.952,405 1.585,406 4.463,407 2.438,408 1.486,409 2.154,411 4.237,412 1.413,413 2.86,414 1.456,415 4.305,416 2.355,417 1.405,418 2.015,420 3.866,421 1.331,422 2.742,423 1.408,424 4.094,425 2.243,426 1.267,427 1.84,428 3.31,429 1.227,430 2.646,431 1.179,432 3.879,433 2.094,434 1.163,435 1.713,436 2.841,437 1.08,438 2.51,439 1.035,440 3.488,441 1.974,442 1.021,443 1.515,445 2.515,446 0.97,447 2.205,448 0.738,449 3.275,450 1.685,451 0.723,452 1.064,454 1.722,455 0.693,456 1.978,457 0.727,458 3.236,459 1.441,460 0.49,461 0.726,463 1.275,464 0.465,465 15.305,466 0.464,467 1.046,468 0.032,469 50.25,470 1.523,471 27.5,472 0.833,473 22.75,474 0.689,475 22.909,476 0.694,477 34.495,478 0.734,479 41.843,480 1.268,481 9.986,482 0.303,483 5.812,484 0.176,485 0.114,486 0.054,487 0.353,491 2,493 0.565,494 1.103,495 0.686,496 1.165,497 0.596,498 0.84,499 0.66,500 1.007,501 0.75,502 0.943,503 0.571,504 0.836,505 1.113,506 1.069,507 1.091,508 1.06,509 1.075,510 1.014,511 0.867,512 0.957,513 1.213,514 1.163,515 0.845,516 1.078,517 1.04,518 0.78,519 0.916,520 0.799,521 1.125,522 0.897,523 0.652,524 0.908,525 0.852,526 0.975,527 0.502,528 1.025,529 0.941,530 0.895,531 1.122,532 1.022,533 0.857,534 1.083,535 0.855,536 0.838,537 0.935,538 0.908,539 0.86,540 0.979,541 8.5,542 0.284,543 4.667,544 3.042,545 1.819,546 1.326,547 0.789,548 0.524,549 0.407,550 0.284,551 16157,552 60420,553 2.105,554 29.8,556 6,557 1,558 3,559 1,560 3,564 1.752,565 1.951,566 3.65,567 -0.232,569 1,573 93.259,574 1.984,575 4.044,576 4.937,577 5.411,578 5.411,579 5.411,580 3.095,581 4.863,582 5.018,583 3.805,584 2009.29,585 8.783,586 29827,591 261.066,592 1.6,593 4.962,594 0.23,595 0.009,596 0.085,597 0.056,598 0.034,599 0.028,600 0.017,601 0.013,602 0.011,603 0.009,604 0.491,605 0.17,606 0.75,607 0.565,608 175.19,609 0.034,610 -0.157,611 0.163,612 -0.127,613 -0.096,614 -0.011,615 0.079,616 -0.078,617 0.042,618 -0.013,619 0.122,620 0.006,621 -0.201,622 -0.061,623 -0.124,624 -0.041,625 -0.168,626 -0.099,627 0.123,628 0.047,629 -0.129,630 -0.119,631 0.227,632 -0.119,633 -0.141,634 0.017,635 -0.002,636 0.112,637 -0.181,638 0.077,639 0.13,640 -0.015,642 -0.055,643 0.236,644 -0.069,645 -0.116,646 -0.004,647 -0.12,648 -0.048,649 -0.071,650 -0.047,651 -0.023,652 -0.023,653 0.047,654 0.041,655 -0.037,656 0.062,657 5.216,658 5.99,659 0.788,660 33.036,661 1.045,662 1.134,663 3.102,664 9.624,665 0.718,666 3.638,667 4.025,668 4.304,669 4.605,670 4.779,671 4.927,672 5.043,673 5.204,674 5.293,675 5.425,676 7.474,677 0.72,678 468.48,679 3.638,680 5.22,681 6.089,682 6.999,683 7.881,684 8.793,685 9.681,686 10.594,687 11.485,688 12.398,689 12.8,694 1,697 1,699 4,703 1,704 10,705 4,707 1,709 9,711 27,730 2,731 47,733 29,734 1,735 37,737 51,738 21,739 20,740 3,741 3,746 5,747 6,752 1,761 20,762 1,766 2,769 1,771 2,778 1,779 2,781 14,782 10,783 1,784 12,785 1,787 1,790 6,794 0.8,795 3,805 2,811 2,812 3,815 1,840 4,842 1,844 1,846 2,848 33,852 1,855 1,869 2,870 6.4,873 2,875 1,877 16.917,878 9.036,879 6.931,880 2.574,881 4.998,882 1.596,883 1.047,884 5.162,885 13.385,886 3.98,887 4.696,888 5.303,889 5.951,890 6.453,891 6.876,892 7.338,893 7.816,894 8.188,895 8.639,896 0.889,897 54,898 12.628,900 6.071,901 8.215,902 22.215,904 18.549,905 2.715,906 89.583,910 153.024,911 148.42,912 87.645,914 54.047,915 29.92,916 5.807,917 142.613,918 207.071,919 117.565,920 8.825,922 71.712,923 172.72,924 69.411,925 44.448,926 105.94,928 153.024,929 230.258,930 83.967,931 5.807,933 185.272,934 54.047,937 43.989,938 97.582,939 92.166,941 182.945,942 141.692,943 148.42,945 5.807,946 153.024,947 40.741,948 103.159,949 16.405,950 153.92,951 153.024,952 171.612,953 148.42,955 0.6,956 0.347,957 0.19,958 0.096,959 29,960 13,961 0.098,962 5,963 1,964 1.077,965 4.342,966 319.181,967 0.077,968 26,969 164.465,973 1,974 21.197,975 8.036,976 4.089,977 0.646,978 170.325,979 13.571,980 16.543,982 5.041,984 0.048,986 16.405,987 473.057,988 52.5,991 -4.3,993 25.177,999 49.113,1000 53.293,1001 0.357,1002 0.728,1003 0.889,1004 0.974,1005 0.974,1006 0.974,1007 5.235,1008 1.887,1009 6.125,1010 5.862,1011 4.71,1012 5.384,1014 7.002,1015 4.599,1016 6.509,1017 1.486,1018 7.731,1019 5.321,1020 4.511,1021 5.46,1023 8.169,1024 4.311,1025 7.872,1026 1.405,1027 9.443,1028 4.237,1029 6.409,1030 7.757,1032 11.242,1033 6.175,1034 9.277,1035 1.267,1036 11.222,1037 3.866,1038 7.004,1039 8.638,1041 13.247,1042 6.664,1043 10.713,1044 1.163,1045 13.045,1046 3.31,1047 8.43,1048 10.445,1050 15.915,1051 8.051,1052 12.174,1053 1.021,1054 14.901,1055 2.841,1056 9.368,1057 11.683,1059 18.244,1060 8.879,1061 13.655,1062 0.723,1063 16.782,1064 2.515,1065 10.632,1066 13.312,1068 20.804,1069 10.088,1070 3.439,1071 0.49,1072 18.682,1073 1.722,1074 11.72,1075 14.711,1077 23.258,1078 11.07,1079 3.193,1080 12.883,1081 20.598,1082 1.275,1083 12.934,1084 16.275,1086 25.794,1087 12.213,1088 2.85,1089 10.993,1090 22.527,1091 4.748,1092 14.087,1093 17.749,1095 28.298,1096 13.265,1097 2.608,1098 9.165,1099 24.466,1100 4.57,1101 15.289,1102 19.291,1104 30.832,1105 14.385,1106 2.537,1107 7.918,1108 26.415,1109 3.856,1110 16.472,1111 20.799,1113 33.358,1114 15.47,1115 2.233,1116 7.602,1117 28.37,1118 3.68,1119 17.676,1120 22.337,1122 35.896,1123 16.584,1124 2.014,1125 6.549,1126 30.332,1127 3.576,1128 18.875,1129 23.862,1131 38.433,1132 17.685,1133 15054,1134 29347,1135 24.561,1136 33.727,1137 57.348,1138 58.291,1139 58.571,1140 56.781,1141 56.631,1142 79.61,1144 172.117,1145 53.543,1146 5.725,1147 6.715,1148 6.947,1149 5.422,1150 5.439,1151 7.748,1153 20.64,1154 5.126,1155 17.241,1156 1.55,1157 1.575,1158 1.583,1159 1.535,1160 1.531,1161 2.152,1163 4.652,1164 1.447,1165 4.161,1166 4.199,1167 4.739,1168 4.078,1169 8.211,1170 4.044,1171 4.071,1172 4.057,1173 4.123,1174 3.985,1175 8.191,1176 3.96,1177 3.852,1178 3.886,1179 3.818,1180 3.725,1181 7.716,1182 3.742,1183 3.749,1184 3.786,1185 3.747,1186 3.532,1187 6.999,1188 3.55,1189 3.599,1190 3.579,1191 3.697,1192 3.472,1193 5.308,1194 3.435,1195 3.297,1196 3.342,1197 3.227,1198 3.174,1199 5.021,1200 3.176,1201 3.001,1202 3.086,1203 2.874,1204 2.85,1205 4.86,1206 2.846,1207 2.903,1208 2.962,1209 2.855,1210 2.733,1211 4.457,1212 2.735,1213 0.132,1214 0.127,1215 0.2,1216 0.118,1217 0.093,1218 4.891,1219 0.128,1220 4.715,1222 7.401,1223 0.348,1224 4.356,1225 0.084,1226 3.439,1227 4.748,1229 12.883,1230 3.126,1231 1.988,1232 1.979,1233 2.044,1234 2.104,1235 1.184,1236 2.1,1237 1.929,1238 1.919,1239 1.931,1240 2.022,1241 1.129,1242 2.036,1243 1.725,1244 1.686,1245 1.81,1246 1.88,1247 0.891,1248 1.865,1249 1.517,1250 1.475,1251 1.701,1252 1.709,1253 0.741,1254 1.701,1255 1.397,1256 1.426,1257 1.562,1258 1.655,1259 0.616,1260 1.623,1261 1.393,1262 1.347,1263 1.212,1264 1.56,1265 0.522,1266 1.588,1267 1.009,1268 0.969,1269 1.118,1270 1.241,1271 0.224,1272 1.195,1273 0.86,1274 0.804,1275 1.06,1276 1.085,1277 0.151,1278 1.079,1279 4.317,1281 5.687,1282 3.045,1283 7.236,1284 5.352,1285 8.868,1286 7.402,1287 10.545,1289 1.682,1291 27.134,1296 2.273,1305 33.86,1306 93.259,1307 190.072,1308 232.046,1309 254.311,1310 254.311,1311 254.311,1312 74.511,1313 8.387,1314 115.28,1315 123.66,1316 28,1317 12.915,1318 4.907,1319 4.044,1320 47.925,1321 149,1322 147,1323 0.156,1324 206.396,1325 346.9,1326 495.365,1327 58078,1328 4.3,1329 23.165,1330 0.702,1331 0.537,1332 21.674,1333 17.715,1334 15.798,1335 0.427,1336 0.297,1337 9.436,1338 14.166,1339 9.154,1340 7.545,1341 15.814,1342 10.995,1343 15.404,1344 0.28,1345 0.159,1346 15.537,1347 8.72,1348 12.59,1349 0.172,1350 0.085,1351 12.97,1352 6.184,1353 11.127,1354 0.112,1355 0.044,1356 11.241,1357 4.372,1358 8.159,1359 0.069,1360 0.024,1361 8.804,1362 2.814,1363 0.247,1364 109.372,1365 0.202,1366 30.648,1367 0.422,1368 184,1369 748.848,1370 247.965,1371 688.045,1372 922.06,1373 634,1374 220,1375 659.061,1376 294.946,1377 684.017,1378 998.43,1379 640,1380 8.699}
{0 CHEMBL1765627,1 2.011,2 12.406,3 2.632,4 6.928,5 112.182,6 10.329,7 0.75,8 3.977,9 4.069,10 3.929,11 3.541,12 5.286,13 3.567,14 4.453,15 4.564,16 4.249,17 3.919,18 5.986,19 3.948,20 4.637,21 4.774,22 4.31,23 4.021,24 6.025,25 4.019,26 4.728,27 4.884,28 4.32,29 3.971,30 6.423,31 3.983,32 4.66,33 4.84,34 4.147,35 3.881,36 6.037,37 3.891,38 4.515,39 4.678,40 4.094,41 3.835,42 6.083,43 3.836,44 4.517,45 4.7,46 3.986,47 3.772,48 5.89,49 3.766,50 4.423,51 4.609,52 3.92,53 3.646,54 5.826,55 3.651,56 0.273,57 0.943,58 5.326,59 3.695,60 31.407,61 2.793,62 0.605,63 1.449,64 7.938,65 5.765,66 67.318,67 4.615,68 0.789,69 1.7,70 13.887,71 8.251,72 98.937,73 6.591,74 1.241,75 1.765,76 20.963,77 8.789,78 177.253,79 7.477,80 1,81 1.425,82 18.224,83 7.445,84 133.195,85 6.447,86 0.821,87 1.36,88 13.099,89 6.643,90 107.133,91 6.462,92 0.79,93 1.34,94 16.604,95 6.77,96 88.257,97 6.189,98 0.73,99 1.19,100 14.597,101 6.056,102 80.004,103 5.764,104 17,105 53,106 0.336,107 0.663,108 0.82,109 0.904,110 0.904,111 0.904,112 3.502,113 0.878,114 -3.97,115 -3.92,116 -3.72,119 43.2,142 6,143 2,144 4,145 3,149 1,151 1,152 1,161 1,166 1,168 2,172 5,174 4,175 4,178 3,180 1,183 4,186 2,187 7,190 1,192 2,195 3,198 3,199 9,202 1,204 3,207 1,211 4,212 8,215 1,217 1,220 1,224 10,227 1,229 3,232 3,236 1,237 8,242 2,245 3,249 4,250 3,253 1,255 1,258 3,262 1,263 1,266 3,271 3,275 1700,276 21.488,277 21.488,278 21.488,279 21.488,280 21.488,281 18.048,282 8.37,283 12.395,284 22.04,285 17.79,286 17.79,287 17.79,288 17.79,289 17.79,290 12.597,291 5.461,292 5.89,293 18.778,294 3.448,295 1.488,296 0.551,297 0.045,298 0.045,299 0.045,300 4.206,304 1,305 1,306 882,307 3.464,310 157.583,311 296.41,314 131.046,318 1.906,319 54.033,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 73,331 397,332 4.891,333 4.715,334 7.401,335 4.356,336 3.439,337 4.748,339 12.883,340 3.126,341 4.623,342 3.187,343 6.726,344 4.128,345 3.186,346 4.567,348 10.975,349 3.009,350 4.211,351 3.012,352 6.162,353 3.82,354 2.838,355 3.838,357 9.153,358 2.778,359 3.992,360 2.858,361 5.734,362 3.519,363 2.567,364 3.588,366 7.735,367 2.434,368 3.908,369 2.588,370 5.69,371 3.408,372 2.461,373 3.509,375 7.558,376 2.325,377 3.606,378 2.493,379 5.239,380 3.169,381 2.21,382 3.029,384 6.538,385 2.111,386 3.287,387 2.315,388 4.861,389 2.811,390 1.889,391 2.558,393 5.321,394 1.718,395 3.192,396 1.716,397 4.647,398 2.685,399 1.711,400 2.519,402 4.681,403 1.663,404 2.949,405 1.584,406 4.35,407 2.438,408 1.485,409 2.149,411 4.098,412 1.412,413 2.746,414 1.416,415 4.101,416 2.245,417 1.276,418 1.849,420 3.322,421 1.229,422 2.718,423 1.25,424 4.002,425 2.191,426 1.237,427 1.814,428 3.169,429 1.176,430 2.596,431 1.113,432 3.489,433 2.059,434 1.11,435 1.641,436 2.541,437 1.049,438 2.382,439 0.896,440 3.342,441 1.852,442 0.896,443 1.325,445 2.12,446 0.854,447 2.118,448 0.728,449 3.232,450 1.591,451 0.618,452 0.927,454 1.372,455 0.6,456 1.957,457 0.618,458 3.133,459 1.418,460 0.465,461 0.692,463 1.189,464 0.442,465 14.771,466 0.462,467 0.94,468 0.029,469 49,470 1.531,471 27.5,472 0.859,473 21.5,474 0.672,475 21.206,476 0.663,477 33.229,478 0.755,479 40.332,480 1.26,481 9.801,482 0.306,483 5.603,484 0.175,485 0.084,486 0.056,487 0.332,491 2,493 0.548,494 0.987,495 0.694,496 1.113,497 0.592,498 0.786,499 0.677,500 0.963,501 0.818,502 0.94,503 0.595,504 0.872,505 1.038,506 1.086,507 1.078,508 1.168,509 1.056,510 1.115,511 0.877,512 0.938,513 1.228,514 1.213,515 0.84,516 1.12,517 1.047,518 0.749,519 0.953,520 0.78,521 1.113,522 0.922,523 0.622,524 0.924,525 0.852,526 0.997,527 0.509,528 1.056,529 1,530 0.958,531 1.158,532 1.06,533 0.91,534 1.095,535 0.918,536 0.884,537 0.976,538 0.9,539 0.914,540 0.969,541 7.5,542 0.247,543 4.444,544 2.722,545 1.694,546 1.215,547 0.678,548 0.483,549 0.337,550 0.259,551 14964,552 58033,553 2.127,554 27.3,556 6,557 1,558 3,559 2,564 1.744,565 1.99,566 3.589,567 0.363,569 1,573 88.485,574 2.011,575 3.971,576 4.908,577 5.414,578 5.414,579 5.414,580 3.058,581 4.664,582 4.974,583 3.758,584 1863.94,585 8.695,586 27006.8,588 1,591 240.215,592 1.54,593 4.926,594 0.208,595 0.009,596 0.084,597 0.052,598 0.033,599 0.027,600 0.015,601 0.012,602 0.009,603 0.008,604 0.458,605 0.33,606 0.88,607 0.531,608 168.024,609 0.036,610 -0.02,611 0.154,612 -0.077,613 -0.092,614 0.023,615 0.048,616 -0.017,617 -0.062,618 -0.013,619 0.097,620 -0.06,621 -0.146,622 -0.092,623 -0.096,624 -0.108,625 -0.147,626 -0.149,627 0.145,628 0.036,629 -0.114,630 -0.133,631 0.233,632 -0.118,633 -0.159,634 0.022,635 0.002,636 0.137,637 -0.186,638 0.102,639 0.17,640 -0.052,641 0.051,642 -0.055,643 0.246,644 -0.043,645 -0.14,646 -0.061,647 -0.126,648 -0.063,649 -0.086,650 -0.042,651 -0.058,652 -0.069,653 0.039,654 0.056,655 -0.06,656 0.086,657 5.212,658 5.965,659 0.813,660 31.016,661 1.05,662 1.142,663 2.742,664 7.517,665 0.722,666 3.611,667 3.989,668 4.277,669 4.575,670 4.736,671 4.89,672 4.997,673 5.147,674 5.231,675 5.366,676 7.268,677 0.73,678 454.46,679 3.611,680 5.187,681 6.057,682 6.963,683 7.846,684 8.756,685 9.643,686 10.554,687 11.444,688 12.356,689 18.2,694 1,697 2,699 5,703 1,704 10,705 5,706 1,709 8,711 27,730 2,731 44,733 29,734 1,735 36,737 48,738 19,739 19,740 3,741 3,746 5,747 6,761 19,766 2,769 1,771 2,778 1,779 2,781 12,782 10,783 2,784 13,785 1,787 1,790 8,794 0.8,795 2,805 2,811 2,812 3,815 1,840 4,842 1,846 2,848 32,852 1,855 1,869 2,870 4.5,873 2,877 16.083,878 8.069,879 6.764,880 2.339,881 4.949,882 1.598,883 1.063,884 4.892,885 13.226,886 3.961,887 4.668,888 5.281,889 5.928,890 6.421,891 6.85,892 7.303,893 7.771,894 8.134,895 8.587,896 1,897 52,898 12.231,900 5.904,901 8.247,902 21.409,904 17.895,905 2.747,906 87.917,909 1,910 117.711,911 134.575,912 117.67,914 44.313,915 29.92,916 5.807,917 128.768,918 162.024,919 147.59,922 71.712,923 181.184,924 76.218,925 44.448,926 70.627,928 117.711,929 246.437,930 74.233,931 5.807,933 149.959,934 44.313,937 46.685,938 97.582,939 105.65,941 147.631,942 161.982,943 134.575,945 5.807,946 117.711,947 35.721,948 94.334,949 32.945,950 157.671,951 117.711,952 191.903,953 134.575,955 0.596,956 0.349,957 0.193,958 0.094,959 28,960 12,961 0.104,962 5,963 1,964 1.077,965 4.289,966 306.132,967 0.077,968 26,969 158,973 1,974 20.191,975 7.754,976 3.855,977 0.644,978 174.076,979 13.521,980 19.805,981 2.404,984 -0.394,986 32.945,987 444.189,988 51.5,991 -4.296,993 25.122,999 46.222,1000 50.25,1001 0.368,1002 0.727,1003 0.899,1004 0.992,1005 0.992,1006 0.992,1007 5.208,1008 1.711,1009 6.084,1010 5.321,1011 4.673,1012 5.357,1014 6.961,1015 4.564,1016 6.476,1017 1.485,1018 7.688,1019 4.681,1020 4.443,1021 5.4,1023 8.138,1024 4.235,1025 7.835,1026 1.276,1027 9.403,1028 4.098,1029 6.368,1030 7.725,1032 11.215,1033 6.136,1034 9.238,1035 1.237,1036 11.185,1037 3.322,1038 6.957,1039 8.599,1041 13.232,1042 6.612,1043 10.675,1044 1.11,1045 13.013,1046 3.169,1047 8.393,1048 10.415,1050 15.9,1051 8.013,1052 12.138,1053 0.896,1054 14.874,1055 2.541,1056 9.332,1057 11.653,1059 18.235,1060 8.839,1061 13.62,1062 0.618,1063 16.759,1064 2.12,1065 10.602,1066 13.285,1068 20.796,1069 10.056,1070 3.439,1071 0.465,1072 18.663,1073 1.372,1074 11.692,1075 14.687,1077 23.252,1078 11.038,1079 3.186,1080 12.883,1081 20.583,1082 1.189,1083 12.909,1084 16.254,1086 25.789,1087 12.185,1088 2.838,1089 10.975,1090 22.514,1091 4.748,1092 14.064,1093 17.729,1095 28.294,1096 13.238,1097 2.567,1098 9.153,1099 24.456,1100 4.567,1101 15.269,1102 19.274,1104 30.828,1105 14.361,1106 2.461,1107 7.735,1108 26.406,1109 3.838,1110 16.454,1111 20.784,1113 33.355,1114 15.447,1115 2.21,1116 7.558,1117 28.363,1118 3.588,1119 17.659,1120 22.323,1122 35.894,1123 16.563,1124 1.889,1125 6.538,1126 30.326,1127 3.509,1128 18.859,1129 23.85,1131 38.431,1132 17.665,1133 13866,1134 27523,1135 24.156,1136 31.762,1137 55.434,1138 56.358,1139 55.999,1140 54.965,1141 54.778,1142 77.507,1144 165.31,1145 51.851,1146 5.725,1147 6.715,1148 6.997,1149 5.422,1150 5.439,1151 7.748,1153 20.64,1154 5.126,1155 14.899,1156 1.54,1157 1.566,1158 1.556,1159 1.527,1160 1.522,1161 2.153,1163 4.592,1164 1.44,1165 4.16,1166 4.202,1167 4.738,1168 4.078,1169 8.211,1170 4.042,1171 4.071,1172 4.058,1173 4.121,1174 3.983,1175 8.191,1176 3.959,1177 3.845,1178 3.893,1179 3.809,1180 3.721,1181 7.716,1182 3.737,1183 3.712,1184 3.8,1185 3.743,1186 3.518,1187 6.999,1188 3.484,1189 3.596,1190 3.578,1191 3.667,1192 3.39,1193 5.285,1194 3.409,1195 3.272,1196 3.323,1197 3.211,1198 3.076,1199 5.016,1200 3.113,1201 2.933,1202 2.993,1203 2.862,1204 2.802,1205 4.859,1206 2.802,1207 2.901,1208 2.958,1209 2.832,1210 2.733,1211 4.457,1212 2.735,1213 0.136,1214 0.131,1215 0.206,1216 0.121,1217 0.096,1218 4.891,1219 0.132,1220 4.715,1222 7.401,1223 0.358,1224 4.356,1225 0.087,1226 3.439,1227 4.748,1229 12.883,1230 3.126,1231 1.988,1232 1.979,1233 2.044,1234 2.104,1235 1.184,1236 2.1,1237 1.929,1238 1.919,1239 1.931,1240 2.022,1241 1.129,1242 2.036,1243 1.725,1244 1.686,1245 1.81,1246 1.88,1247 0.89,1248 1.865,1249 1.497,1250 1.458,1251 1.577,1252 1.685,1253 0.63,1254 1.653,1255 1.394,1256 1.424,1257 1.245,1258 1.597,1259 0.522,1260 1.588,1261 1.083,1262 0.98,1263 1.206,1264 1.56,1265 0.225,1266 1.509,1267 1.006,1268 0.923,1269 1.118,1270 1.227,1271 0.151,1272 1.192,1273 0.861,1274 0.804,1275 1.058,1276 1.068,1277 0.063,1278 1.079,1279 4.29,1281 5.652,1282 3.045,1283 7.2,1284 5.283,1285 8.832,1286 7.298,1287 10.511,1291 27.089,1296 2.267,1305 32.135,1306 88.485,1307 174.731,1308 215.95,1309 238.215,1310 238.215,1311 238.215,1312 70.423,1313 8.276,1314 130.82,1315 139.2,1316 28,1317 12.874,1318 4.907,1319 4.044,1320 45.792,1321 141,1322 138,1323 0.158,1324 196.803,1325 325.51,1326 471.96,1327 50662,1328 4.5,1329 22.294,1330 0.697,1331 0.524,1332 20.804,1333 16.754,1334 15.404,1335 0.428,1336 0.293,1337 8.97,1338 13.762,1339 8.758,1340 7.21,1341 15.42,1342 10.532,1343 14.77,1344 0.279,1345 0.157,1346 14.904,1347 8.318,1348 12.255,1349 0.173,1350 0.085,1351 12.634,1352 6.002,1353 10.872,1354 0.113,1355 0.044,1356 10.986,1357 4.239,1358 7.777,1359 0.069,1360 0.024,1361 8.421,1362 2.703,1363 0.249,1364 107.147,1365 0.203,1366 29.867,1367 0.428,1368 178,1369 731.09,1370 240.865,1371 676.089,1372 904.07,1373 622,1374 213,1375 643.515,1376 287.372,1377 671.012,1378 976.48,1379 627,1380 9.222}
{0 CHEMBL1765628,1 1.984,2 12.515,3 2.814,4 7.916,5 113.781,6 9.968,7 0.73,8 4.026,9 4.105,10 3.951,11 3.6,12 5.306,13 3.619,14 4.519,15 4.63,16 4.286,17 3.968,18 6.025,19 3.994,20 4.704,21 4.841,22 4.293,23 4.065,24 6.083,25 4.059,26 4.766,27 4.927,28 4.365,29 4.021,30 6.225,31 4.026,32 4.714,33 4.867,34 4.269,35 3.936,36 6.466,37 3.961,38 4.572,39 4.73,40 4.061,41 3.923,42 5.86,43 3.908,44 4.628,45 4.816,46 4.051,47 3.888,48 5.93,49 3.869,50 4.543,51 4.718,52 3.986,53 3.76,54 5.984,55 3.752,56 0.27,57 0.921,58 6.341,59 4.154,60 29.802,61 3.397,62 0.632,63 1.441,64 10.884,65 6.604,66 67.47,67 5.903,68 0.871,69 1.693,70 16.932,71 8.682,72 94.723,73 6.846,74 1.01,75 1.836,76 23.135,77 9.292,78 134.353,79 8.065,80 1.378,81 1.535,82 19.274,83 8.031,84 208.65,85 7.339,86 0.686,87 1.37,88 14.357,89 7.292,90 69.397,91 6.741,92 0.741,93 1.421,94 19.947,95 7.985,96 70.776,97 8.105,98 0.925,99 1.377,100 17.08,101 7.279,102 106.404,103 6.746,104 26,105 55,106 0.328,107 0.668,108 0.801,109 0.865,110 0.865,111 0.865,112 3.532,113 0.891,114 -4.33,115 -4.27,116 -4.03,119 44.7,120 1,142 6,143 2,144 4,145 3,149 1,151 1,152 1,161 2,166 1,172 4,174 4,175 6,178 2,180 1,183 6,186 2,187 10,190 1,192 3,195 2,198 3,199 5,204 1,207 1,211 4,212 11,217 2,220 2,224 12,227 1,229 1,232 2,236 1,237 6,245 5,249 4,250 4,253 1,258 5,262 1,263 2,266 2,271 4,275 1875,276 21.883,277 21.883,278 21.883,279 21.883,280 21.883,281 18.446,282 11.718,283 12.534,284 22.485,285 18.302,286 18.302,287 18.302,288 18.302,289 18.302,290 13.032,291 8.219,292 6.007,293 19.349,294 3.57,295 1.511,296 0.703,297 0.314,298 0.314,299 0.314,300 4.234,304 1,305 1,306 909,307 3.536,310 163.422,311 307.045,314 135.917,318 1.983,319 56.434,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 75,331 413,332 4.864,333 4.689,334 7.315,335 4.323,336 3.404,337 4.718,339 12.549,340 3.104,341 4.628,342 3.197,343 6.731,344 4.135,345 3.193,346 4.57,348 10.993,349 3.012,350 4.221,351 3.036,352 6.163,353 3.829,354 2.847,355 3.854,357 9.16,358 2.785,359 4.035,360 2.876,361 5.774,362 3.554,363 2.606,364 3.679,366 7.906,367 2.463,368 3.985,369 2.673,370 5.508,371 3.499,372 2.552,373 3.588,375 7.355,376 2.405,377 3.628,378 2.592,379 5.256,380 3.2,381 2.235,382 3.056,384 6.607,385 2.149,386 3.396,387 2.394,388 5.032,389 2.979,390 2.012,391 2.736,393 5.862,394 1.942,395 3.232,396 2.115,397 4.618,398 2.787,399 1.879,400 2.481,402 4.963,403 1.678,404 2.979,405 1.649,406 4.592,407 2.482,408 1.526,409 2.184,411 4.418,412 1.453,413 2.897,414 1.463,415 4.45,416 2.363,417 1.415,418 2.052,420 4.133,421 1.337,422 2.852,423 1.433,424 4.268,425 2.339,426 1.362,427 1.997,428 3.815,429 1.323,430 2.646,431 1.178,432 3.879,433 2.093,434 1.163,435 1.713,436 2.841,437 1.079,438 2.51,439 1.035,440 3.488,441 1.974,442 1.021,443 1.515,445 2.514,446 0.97,447 2.205,448 0.737,449 3.275,450 1.685,451 0.723,452 1.064,454 1.722,455 0.693,456 1.978,457 0.493,458 3.217,459 1.441,460 0.49,461 0.726,463 1.275,464 0.465,465 15.305,466 0.464,467 1.063,468 0.032,469 50.25,470 1.523,471 27.5,472 0.833,473 22.75,474 0.689,475 22.881,476 0.693,477 34.495,478 0.734,479 41.804,480 1.267,481 9.97,482 0.302,483 5.811,484 0.176,485 0.114,486 0.054,487 0.353,491 2,493 0.565,494 1.103,495 0.686,496 1.165,497 0.596,498 0.84,499 0.66,500 1.007,501 0.75,502 0.943,503 0.561,504 0.836,505 1.151,506 1.024,507 1.215,508 1.052,509 1.076,510 1.048,511 0.855,512 0.979,513 1.04,514 1.174,515 0.928,516 1.042,517 0.826,518 0.781,519 0.884,520 0.793,521 0.827,522 0.884,523 0.879,524 0.894,525 1.003,526 0.972,527 0.772,528 1.074,529 0.821,530 0.921,531 1.009,532 1.028,533 0.675,534 1.031,535 1.086,536 0.856,537 1.086,538 0.904,539 1.189,540 1.033,541 9,542 0.263,543 4.222,544 2.792,545 2.237,546 1.049,547 0.872,548 0.502,549 0.338,550 0.334,551 16157,552 60420,553 2.105,554 29.8,556 6,557 1,558 3,559 1,560 3,564 1.752,565 1.951,566 3.621,567 -0.232,569 1,573 93.259,574 1.984,575 4.044,576 4.852,577 5.241,578 5.241,579 5.241,580 3.074,581 4.681,582 5.018,583 3.797,584 2004.79,585 8.784,586 29831.2,591 261.066,592 1.6,593 4.962,594 0.243,595 0.008,596 0.077,597 0.053,598 0.043,599 0.021,600 0.02,601 0.012,602 0.009,603 0.01,604 0.496,605 0.17,606 0.75,607 0.565,608 175.2,609 0.034,610 -0.157,611 0.163,612 -0.127,613 -0.096,614 -0.011,615 0.079,616 -0.078,617 0.042,618 -0.013,619 0.132,620 0.006,621 -0.24,622 -0.015,623 -0.251,624 -0.033,625 -0.171,626 -0.134,627 0.014,628 -0.084,629 0.047,630 -0.137,631 -0.005,632 -0.055,633 0.254,634 0.171,635 0.031,636 0.128,637 0.336,638 0.05,639 -0.15,640 -0.043,641 -0.155,642 -0.055,643 -0.099,644 -0.108,645 -0.085,646 -0.111,647 -0.005,648 -0.059,649 0.006,650 0.027,651 -0.054,652 0.141,653 -0.106,654 0.057,655 -0.126,656 -0.04,657 5.152,658 5.59,659 0.788,660 33.036,661 1.045,662 1.134,663 3.102,664 9.624,665 0.718,666 3.638,667 4.025,668 4.29,669 4.595,670 4.804,671 4.898,672 5.075,673 5.182,674 5.298,675 5.421,676 7.468,677 0.72,678 468.48,679 3.638,680 5.22,681 6.084,682 6.993,683 7.874,684 8.782,685 9.672,686 10.579,687 11.473,688 12.379,689 12.8,694 1,697 1,699 4,703 1,704 10,705 4,707 1,709 9,711 27,730 2,731 47,733 29,734 1,735 37,737 51,738 21,739 20,740 3,741 3,746 5,747 6,752 1,761 20,762 1,766 2,769 1,771 2,778 1,779 2,781 14,782 10,783 1,784 12,785 1,787 1,790 6,794 0.8,795 3,805 2,811 2,812 3,815 1,840 4,842 1,844 1,846 2,848 33,852 1,855 1,869 2,870 6.4,873 2,875 1,877 16.917,878 9.036,879 6.903,880 2.567,881 4.98,882 1.594,883 1.047,884 5.162,885 13.367,886 3.98,887 4.696,888 5.296,889 5.943,890 6.475,891 6.851,892 7.366,893 7.8,894 8.19,895 8.638,896 1,897 53,898 12.598,900 6.024,901 8.215,902 22.215,904 18.544,905 2.715,906 89.583,910 153.024,911 148.42,912 87.645,914 54.047,915 29.92,916 5.807,917 142.613,918 207.071,919 117.565,920 8.825,922 71.712,923 172.72,924 69.411,925 44.448,926 105.94,928 153.024,929 230.258,930 83.967,931 5.807,933 185.272,934 54.047,937 43.989,938 97.582,939 92.166,941 182.945,942 141.692,943 148.42,945 5.807,946 153.024,947 40.741,948 103.159,949 16.405,950 153.92,951 153.024,952 171.612,953 148.42,955 0.6,956 0.343,957 0.188,958 0.103,959 29,960 13,961 0.098,962 5,963 1,964 1.077,965 4.346,966 318.784,967 0.077,968 26,969 156.465,973 1,974 21.197,975 8.036,976 4.209,977 0.647,978 170.325,979 13.422,980 16.549,982 5.041,984 0.284,986 16.405,987 473.057,988 52.5,991 -4.236,993 25.18,999 49.113,1000 53.293,1001 0.357,1002 0.728,1003 0.874,1004 0.943,1005 0.943,1006 0.943,1007 5.235,1008 1.879,1009 6.12,1010 5.862,1011 4.71,1012 5.384,1014 6.989,1015 4.599,1016 6.509,1017 1.526,1018 7.72,1019 4.963,1020 4.511,1021 5.46,1023 8.132,1024 4.311,1025 7.871,1026 1.415,1027 9.425,1028 4.418,1029 6.402,1030 7.753,1032 11.192,1033 6.171,1034 9.272,1035 1.362,1036 11.195,1037 4.133,1038 6.986,1039 8.626,1041 13.169,1042 6.652,1043 10.706,1044 1.163,1045 13.009,1046 3.815,1047 8.41,1048 10.434,1050 15.818,1051 8.039,1052 12.163,1053 1.021,1054 14.855,1055 2.841,1056 9.335,1057 11.664,1059 18.119,1060 8.859,1061 13.639,1062 0.723,1063 16.725,1064 2.514,1065 10.596,1066 13.291,1068 20.654,1069 10.067,1070 3.404,1071 0.49,1072 18.615,1073 1.722,1074 11.671,1075 14.684,1077 23.08,1078 11.041,1079 3.193,1080 12.549,1081 20.521,1082 1.275,1083 12.878,1084 16.245,1086 25.588,1087 12.181,1088 2.847,1089 10.993,1090 22.439,1091 4.718,1092 14.02,1093 17.712,1095 28.063,1096 13.226,1097 2.606,1098 9.16,1099 24.368,1100 4.57,1101 15.213,1102 19.251,1104 30.568,1105 14.342,1106 2.552,1107 7.906,1108 26.305,1109 3.854,1110 16.386,1111 20.753,1113 33.065,1114 15.421,1115 2.235,1116 7.355,1117 28.249,1118 3.679,1119 17.58,1120 22.286,1122 35.574,1123 16.53,1124 2.012,1125 6.607,1126 30.199,1127 3.588,1128 18.768,1129 23.806,1131 38.081,1132 17.626,1133 15053,1134 29346,1135 24.561,1136 33.727,1137 57.544,1138 57.646,1139 58.36,1140 56.983,1141 56.856,1142 79.866,1144 172.226,1145 53.721,1146 5.696,1147 6.689,1148 6.861,1149 5.388,1150 5.404,1151 7.718,1153 19.993,1154 5.104,1155 17.255,1156 1.555,1157 1.558,1158 1.577,1159 1.54,1160 1.537,1161 2.159,1163 4.655,1164 1.452,1165 4.161,1166 4.199,1167 4.737,1168 4.078,1169 8.211,1170 4.044,1171 4.07,1172 4.056,1173 4.123,1174 3.985,1175 8.191,1176 3.959,1177 3.852,1178 3.886,1179 3.818,1180 3.725,1181 7.717,1182 3.742,1183 3.749,1184 3.786,1185 3.752,1186 3.532,1187 6.999,1188 3.55,1189 3.602,1190 3.581,1191 3.698,1192 3.472,1193 5.308,1194 3.437,1195 3.297,1196 3.342,1197 3.227,1198 3.174,1199 5.021,1200 3.176,1201 3.001,1202 3.086,1203 2.913,1204 2.85,1205 4.86,1206 2.846,1207 2.937,1208 2.985,1209 2.869,1210 2.73,1211 4.436,1212 2.753,1213 0.131,1214 0.127,1215 0.198,1216 0.117,1217 0.092,1218 4.864,1219 0.128,1220 4.689,1222 7.315,1223 0.339,1224 4.323,1225 0.084,1226 3.404,1227 4.718,1229 12.549,1230 3.104,1231 1.988,1232 1.98,1233 2.044,1234 2.104,1235 1.185,1236 2.1,1237 1.929,1238 1.919,1239 1.929,1240 2.022,1241 1.131,1242 2.036,1243 1.725,1244 1.686,1245 1.81,1246 1.88,1247 0.89,1248 1.864,1249 1.517,1250 1.474,1251 1.701,1252 1.709,1253 0.741,1254 1.701,1255 1.397,1256 1.425,1257 1.562,1258 1.655,1259 0.616,1260 1.623,1261 1.392,1262 1.347,1263 1.216,1264 1.56,1265 0.516,1266 1.586,1267 1.01,1268 0.969,1269 1.085,1270 1.241,1271 0.229,1272 1.195,1273 0.832,1274 0.787,1275 1.039,1276 1.085,1277 0.072,1278 1.047,1279 4.317,1281 5.687,1282 3.045,1283 7.232,1284 5.352,1285 8.858,1286 7.402,1287 10.528,1289 1.682,1291 26.947,1296 2.296,1305 33.86,1306 93.259,1307 190.072,1308 228.046,1309 246.311,1310 246.311,1311 246.311,1312 75.015,1313 8.387,1314 115.28,1315 123.66,1316 28,1317 12.899,1318 4.907,1319 4.044,1320 47.916,1321 149,1322 141,1323 0.156,1324 206.396,1325 346.9,1326 495.365,1327 58078,1328 4.3,1329 23.165,1330 0.702,1331 0.537,1332 21.674,1333 17.715,1334 15.781,1335 0.427,1336 0.297,1337 9.43,1338 14.122,1339 9.146,1340 7.536,1341 15.814,1342 10.989,1343 15.516,1344 0.282,1345 0.16,1346 15.537,1347 8.782,1348 12.439,1349 0.173,1350 0.085,1351 12.97,1352 6.093,1353 10.901,1354 0.111,1355 0.044,1356 11.241,1357 4.347,1358 8.598,1359 0.071,1360 0.024,1361 8.804,1362 2.903,1363 0.247,1364 109.271,1365 0.202,1366 30.643,1367 0.422,1368 184,1369 748.848,1370 247.965,1371 688.23,1372 921.44,1373 634,1374 219,1375 658.061,1376 290.722,1377 683.24,1378 994.78,1379 639,1380 7.092}
{0 CHEMBL1765706,1 1.719,2 9.897,3 4.26,4 18.143,5 110.911,6 9.415,7 0.667,8 3.909,9 4.004,10 3.682,11 3.548,12 5.142,13 3.549,14 4.401,15 4.528,16 4.1,17 3.953,18 5.644,19 3.951,20 4.632,21 4.776,22 4.229,23 4.097,24 5.938,25 4.077,26 4.675,27 4.84,28 4.136,29 4.102,30 5.872,31 4.06,32 4.676,33 4.842,34 4.142,35 4.117,36 5.874,37 4.072,38 4.667,39 4.819,40 4.194,41 4.089,42 5.974,43 4.044,44 4.647,45 4.842,46 4.102,47 3.981,48 5.971,49 3.921,50 4.471,51 4.657,52 3.896,53 3.753,54 5.764,55 3.7,56 0.093,57 0.688,58 4.664,59 3.288,60 5.524,61 3.565,62 0.24,63 1.124,64 10.034,65 5.407,66 13.851,67 5.778,68 0.442,69 1.368,70 16.727,71 7.423,72 45.149,73 7.606,74 0.42,75 1.391,76 18.092,77 8.176,78 39.738,79 9.064,80 0.396,81 1.334,82 18.538,83 8.403,84 37.927,85 9.726,86 0.423,87 1.311,88 17.22,89 8.358,90 52.606,91 9.323,92 0.549,93 1.36,94 21.248,95 8.646,96 69.024,97 10.234,98 0.371,99 1.153,100 20.009,101 7.411,102 39.749,103 8.398,104 17,105 49,106 0.291,107 0.647,108 0.823,109 0.9,110 0.9,111 0.9,112 3.41,113 0.844,114 -4.97,115 -4.87,116 -4.57,119 51.2,124 1,135 2,142 6,143 4,144 4,145 2,146 1,151 1,158 1,166 1,172 8,174 1,175 11,183 10,187 9,195 8,198 1,199 13,207 11,212 9,220 12,223 1,224 5,232 13,236 4,237 5,245 10,250 3,258 4,262 2,263 6,271 2,275 1337,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 16.743,282 16.646,283 11.141,284 19.97,285 16.265,286 16.265,287 16.265,288 16.265,289 16.265,290 11.862,291 21.421,292 5.287,293 16.971,294 3.707,295 1.606,296 0.564,297 0.111,298 0.111,299 0.111,300 4.118,301 1,304 1,305 1,306 636,307 2.449,310 63.935,311 238.111,315 186.112,318 1.356,319 32.266,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.833,331 287,332 4.695,333 3.752,334 7.084,335 4.307,336 3.339,337 4.578,338 1.2,339 12.276,340 3.233,341 4.319,342 3.291,343 6.337,344 3.93,345 2.954,346 3.941,347 0.293,348 9.634,349 2.887,350 4.2,351 3.136,352 6.12,353 3.754,354 2.805,355 3.853,357 8.943,358 2.665,359 3.995,360 2.878,361 5.891,362 3.553,363 2.61,364 3.488,366 8.038,367 2.431,368 3.658,369 2.574,370 5.602,371 3.255,372 2.285,373 3.037,375 7.197,376 2.201,377 3.502,378 2.361,379 5.047,380 3.082,381 2.116,382 2.857,384 6.039,385 2.034,386 3.38,387 2.17,388 5,389 2.931,390 1.926,391 2.64,393 5.52,394 1.903,395 3.184,396 2.121,397 4.811,398 2.702,399 1.736,400 2.466,402 5.071,403 1.669,404 2.82,405 1.786,406 4.19,407 2.319,408 1.414,409 1.949,411 3.573,412 1.253,413 2.73,414 1.332,415 4.065,416 2.261,417 1.283,418 1.815,420 3.516,421 1.217,422 2.565,423 1.221,424 4.011,425 2.053,426 1.076,427 1.486,428 2.968,429 1.048,430 2.351,431 0.963,432 3.413,433 1.786,434 0.824,435 1.224,436 1.952,437 0.789,438 2.174,439 0.784,440 3.269,441 1.617,442 0.674,443 1.007,445 1.655,446 0.634,447 1.737,448 0.689,449 3.032,450 1.186,451 0.237,452 0.316,454 0.544,455 0.206,456 1.334,457 0.588,458 2.748,459 0.865,460 -0.049,461 -0.068,463 -0.119,464 -0.042,465 13.933,466 0.48,467 0.836,468 0.029,469 42.75,470 1.474,471 23.5,472 0.81,473 19.25,474 0.664,475 21.132,476 0.729,477 28.667,478 0.667,479 33.818,480 1.166,481 8.552,482 0.295,483 5.456,484 0.188,485 0.132,487 0.416,491 1,493 0.551,494 1.005,495 0.514,496 0.848,497 0.515,498 0.772,499 0.725,500 0.99,501 0.614,502 0.767,503 0.566,504 0.734,505 0.95,506 1.012,507 0.899,508 0.969,509 0.857,510 0.945,511 0.861,512 0.867,513 0.877,514 0.969,515 0.867,516 1.001,517 0.703,518 0.718,519 0.794,520 0.896,521 0.758,522 0.926,523 0.782,524 0.969,525 0.846,526 1.066,527 0.896,528 1.067,529 0.77,530 0.885,531 0.935,532 0.943,533 0.732,534 0.971,535 1.158,536 1.341,537 1.271,538 1.3,539 1.107,540 1.19,541 6,542 0.119,543 4,544 2.097,545 2.166,546 1.226,547 0.857,548 0.635,549 0.351,550 0.257,551 9948,552 32491,553 2.15,554 32.6,556 11,557 1,558 2,564 1.727,565 2,566 3.269,567 -0.751,569 1,573 73.919,574 1.719,575 3.82,576 4.862,577 5.316,578 5.316,579 5.316,580 2.68,581 4.858,582 4.829,583 3.38,584 1372.44,585 8.452,586 17538.8,588 1,590 1,591 233.329,592 1.44,593 4.786,594 0.182,595 0.008,596 0.082,597 0.04,598 0.044,599 0.025,600 0.018,601 0.015,602 0.011,603 0.011,604 0.436,605 0.5,606 0.88,607 0.562,608 143.358,609 0.014,610 -0.08,611 0.028,612 -0.041,613 -0.049,614 -0.007,615 -0.035,616 -0.034,617 0.043,618 0.071,619 0.013,620 0.079,621 -0.061,622 -0.022,623 -0.065,624 -0.065,625 -0.001,626 -0.072,627 -0.069,628 0.038,629 -0.076,630 -0.04,631 -0.079,632 -0.06,633 -0.003,634 0.068,635 0.014,636 0.044,637 -0.02,638 0.047,639 0.044,640 -0.147,641 0.027,642 -0.117,643 0.013,644 -0.113,645 0.158,646 0.046,647 0.111,648 0.062,649 0.172,650 0.062,651 -0.061,652 -0.336,653 -0.066,654 -0.264,655 -0.024,656 -0.158,657 2.2,658 5.824,659 0.862,660 23.37,661 1.02,662 1.116,663 3.739,664 13.977,665 0.74,666 3.526,667 3.912,668 4.248,669 4.575,670 4.89,671 5.05,672 5.252,673 5.46,674 5.635,675 5.694,676 5.789,677 0.725,678 404.85,679 3.526,680 5.106,681 5.994,682 6.907,683 7.815,684 8.733,685 9.649,686 10.571,687 11.491,688 12.415,689 9.3,696 1,697 1,699 2,703 2,704 9,705 2,709 7,710 1,711 22,730 2,731 43,733 24,734 2,735 33,737 47,738 22,739 18,740 6,741 6,742 3,746 5,747 8,748 1,761 21,762 1,766 2,771 1,773 2,775 1,778 1,779 1,781 14,782 5,784 7,785 1,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,844 1,845 1,846 1,848 29,859 1,869 2,870 2.3,873 1,877 14.5,878 8.419,879 6.139,880 2.482,881 4.428,882 1.531,883 1.059,884 4.143,885 12.761,886 3.85,887 4.535,888 5.199,889 5.851,890 6.478,891 6.927,892 7.451,893 7.994,894 8.502,895 8.842,896 0.857,897 52,898 10.717,900 4.778,901 7.906,902 20.025,904 16.884,905 2.406,906 69.778,909 1,910 164.795,911 148.462,912 38.349,913 39.149,914 25.145,915 14.96,917 148.462,918 229.089,919 53.31,920 8.396,921 3.124,922 84.857,923 86.84,924 52.28,925 26.731,926 129.482,927 39.149,928 164.795,929 186.812,930 40.105,931 39.149,933 179.756,934 25.145,937 25.14,938 109.271,939 91.55,941 179.756,942 63.494,943 187.611,946 164.795,947 37.114,948 116.25,950 112.702,951 164.795,952 78.454,953 187.611,955 0.599,956 0.36,957 0.196,958 0.114,959 27,960 12,961 0.043,962 2,963 2,964 1.16,965 3.902,966 283.593,967 0.16,968 25,969 140.881,974 17.898,975 6.714,976 2.987,977 1.555,978 76.678,979 15.556,980 8.751,984 3.318,985 1.733,987 430.861,988 46,993 12.824,995 3.209,997 -0.237,999 43.873,1000 47.978,1001 0.317,1002 0.704,1003 0.896,1004 0.98,1005 0.98,1006 0.98,1007 5.109,1008 1.736,1009 6.009,1010 5.52,1011 4.595,1012 5.223,1013 1.356,1014 6.882,1015 4.516,1016 6.358,1017 1.414,1018 7.607,1019 5.071,1020 4.29,1021 5.121,1022 0.325,1023 7.892,1024 4.151,1025 7.694,1026 1.283,1027 9.304,1028 3.573,1029 6.252,1030 7.51,1031 1.511,1032 11.038,1033 6.106,1034 9.064,1035 1.076,1036 11.057,1037 3.516,1038 6.746,1039 8.216,1040 0.653,1041 12.894,1042 6.543,1043 10.464,1044 0.824,1045 12.848,1046 2.968,1047 8.199,1048 10.075,1049 1.739,1050 15.581,1051 7.987,1052 11.885,1053 0.674,1054 14.666,1055 1.952,1056 9.058,1057 11.172,1058 1.001,1059 17.804,1060 8.797,1061 13.323,1062 0.237,1063 16.505,1064 1.655,1065 10.321,1066 12.812,1067 1.993,1068 20.347,1069 10.044,1070 3.339,1071 -0.049,1072 18.359,1073 0.544,1074 11.349,1075 14.108,1076 1.37,1077 22.729,1078 11.032,1079 2.954,1080 12.276,1081 20.227,1082 -0.119,1083 12.545,1084 15.657,1085 2.264,1086 25.232,1087 12.207,1088 2.805,1089 9.634,1090 22.107,1091 4.578,1092 13.652,1093 17.054,1094 1.754,1095 27.682,1096 13.28,1097 2.61,1098 8.943,1099 23.996,1100 3.941,1101 14.829,1102 18.568,1103 2.551,1104 30.178,1105 14.431,1106 2.285,1107 8.038,1108 25.893,1109 3.853,1110 15.975,1111 20.018,1112 2.143,1113 32.659,1114 15.545,1115 2.116,1116 7.197,1117 27.798,1118 3.488,1119 17.15,1120 21.522,1121 2.851,1122 35.156,1123 16.693,1124 1.926,1125 6.039,1126 29.709,1127 3.037,1128 18.316,1129 22.999,1130 2.535,1131 37.65,1132 17.828,1133 9302,1134 16974,1135 22.194,1136 31.841,1137 51.589,1138 52.865,1139 52.595,1140 50.746,1141 50.561,1142 69.316,1143 2.986,1144 153.851,1145 48.34,1146 5.526,1147 5.752,1148 6.46,1149 5.35,1150 5.339,1151 7.578,1152 2.293,1153 19.74,1154 5.233,1155 13.971,1156 1.563,1157 1.602,1158 1.594,1159 1.538,1160 1.532,1161 2.1,1162 0.09,1163 4.662,1164 1.465,1165 4.142,1166 4.169,1167 4.126,1168 4.067,1169 8.201,1170 4.075,1171 3.931,1172 3.976,1173 3.993,1174 3.837,1175 7.429,1176 3.841,1177 3.854,1178 3.891,1179 3.85,1180 3.719,1181 5.031,1182 3.735,1183 3.634,1184 3.665,1185 3.604,1186 3.508,1187 4.906,1188 3.52,1189 3.27,1190 3.317,1191 3.311,1192 3.094,1193 4.845,1194 3.114,1195 3.054,1196 3.127,1197 3.191,1198 2.905,1199 4.409,1200 2.913,1201 3.021,1202 3.078,1203 2.948,1204 2.861,1205 4.305,1206 2.851,1207 2.882,1208 2.931,1209 2.871,1210 2.793,1211 4.133,1212 2.767,1213 0.142,1214 0.114,1215 0.215,1216 0.131,1217 0.101,1218 4.695,1219 0.139,1220 3.752,1221 0.036,1222 7.084,1223 0.372,1224 4.307,1225 0.098,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.233,1231 2.076,1232 2.056,1233 2.129,1234 2.16,1235 1.289,1236 2.152,1237 1.865,1238 1.846,1239 1.933,1240 1.954,1241 1.054,1242 1.954,1243 1.687,1244 1.664,1245 1.792,1246 1.817,1247 0.9,1248 1.805,1249 1.494,1250 1.426,1251 1.717,1252 1.763,1253 0.762,1254 1.754,1255 1.369,1256 1.308,1257 1.506,1258 1.532,1259 0.573,1260 1.523,1261 1.107,1262 1.069,1263 1.286,1264 1.295,1265 0.331,1266 1.29,1267 0.995,1268 0.949,1269 1.174,1270 1.162,1271 0.227,1272 1.168,1273 0.869,1274 0.824,1275 1.105,1276 1.054,1277 0.17,1278 1.078,1279 4.205,1281 5.572,1282 2.398,1283 7.14,1284 4.595,1285 8.803,1286 6.555,1287 10.52,1289 1.859,1290 5.981,1291 13.687,1300 1.539,1305 31.172,1306 73.919,1307 164.256,1308 209.065,1309 228.574,1310 228.574,1311 228.574,1312 48.767,1313 8.333,1314 52.71,1315 52.71,1316 29,1317 12.921,1318 4.644,1319 3.807,1320 39.279,1321 97,1322 113,1323 0.195,1324 190.411,1325 326.15,1326 456.362,1327 48786,1328 4.7,1329 20.121,1330 0.694,1331 0.554,1332 19.75,1333 16.06,1334 14.008,1335 0.424,1336 0.281,1337 8.808,1338 13.209,1339 8.576,1340 7.064,1341 13.886,1342 9.279,1343 13.25,1344 0.27,1345 0.147,1346 13.162,1347 7.209,1348 11.715,1349 0.17,1350 0.075,1351 11.315,1352 5.207,1353 9.912,1354 0.103,1355 0.039,1356 10.058,1357 3.716,1358 8.618,1359 0.065,1360 0.02,1361 8.61,1362 2.653,1363 0.295,1364 90.772,1365 0.212,1366 26.738,1367 0.573,1368 164,1369 536.63,1370 193.835,1371 530.191,1372 718.39,1373 494,1374 200,1375 516.632,1376 228.101,1377 529.068,1378 780.14,1379 498,1380 6}
{0 CHEMBL1765707,1 1.667,2 10.75,3 4.812,4 23.154,5 121.209,6 9.584,7 0.73,8 3.986,9 4.074,10 3.774,11 3.659,12 5.221,13 3.661,14 4.47,15 4.577,16 4.2,17 4.077,18 5.726,19 4.071,20 4.733,21 4.876,22 4.337,23 4.206,24 6.026,25 4.188,26 4.751,27 4.915,28 4.216,29 4.197,30 5.949,31 4.157,32 4.742,33 4.902,34 4.205,35 4.213,36 5.929,37 4.16,38 4.736,39 4.886,40 4.281,41 4.191,42 6.032,43 4.147,44 4.714,45 4.892,46 4.199,47 4.106,48 6.038,49 4.052,50 4.587,51 4.771,52 4.032,53 3.923,54 5.856,55 3.872,56 0.082,57 0.692,58 4.528,59 3.295,60 6.53,61 3.419,62 0.209,63 1.149,64 8.383,65 5.516,66 13.515,67 5.767,68 0.429,69 1.475,70 17.469,71 8.12,72 46.358,73 8.394,74 0.454,75 1.495,76 18.4,77 8.366,78 42.883,79 8.746,80 0.369,81 1.383,82 18.571,83 8.978,84 38.827,85 10.443,86 0.415,87 1.367,88 17.737,89 8.849,90 55.773,91 9.939,92 0.509,93 1.449,94 19.934,95 8.761,96 67.078,97 9.846,98 0.384,99 1.279,100 21.39,101 8.225,102 42.564,103 9.311,104 10,105 55,106 0.275,107 0.6,108 0.797,109 0.898,110 0.912,111 0.912,112 3.503,113 0.835,114 -5.45,115 -5.33,116 -4.98,119 54.3,135 2,142 8,143 5,144 4,145 2,146 1,151 1,158 1,161 1,172 11,174 1,175 11,178 1,180 2,183 13,187 10,192 1,195 12,198 1,199 11,204 1,207 16,212 7,217 1,220 16,223 1,224 7,229 2,232 16,236 2,237 6,242 2,245 12,250 5,258 9,262 1,263 4,266 2,268 1,271 7,275 1702,276 21.963,277 21.963,278 21.963,279 21.963,280 21.963,281 18.614,282 13.484,283 12.501,284 22.371,285 18.253,286 18.253,287 18.253,288 18.253,289 18.253,290 13.096,291 18.921,292 5.919,293 19.013,294 3.857,295 1.888,296 0.696,297 0.087,300 4.226,301 1,304 1,305 1,306 780,307 2.55,310 66.049,311 330.91,314 111.24,315 204.912,318 1.578,319 34.629,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 68.833,331 344,332 4.695,333 3.752,334 7.084,335 4.307,336 3.339,337 4.582,338 1.2,339 12.276,340 3.234,341 4.454,342 3.291,343 6.356,344 3.99,345 3.012,346 4.374,347 0.293,348 9.736,349 2.948,350 4.275,351 3.139,352 6.237,353 3.822,354 2.867,355 3.919,357 9.313,358 2.744,359 4.081,360 2.973,361 5.984,362 3.642,363 2.694,364 3.626,366 8.492,367 2.552,368 3.89,369 2.675,370 5.882,371 3.48,372 2.515,373 3.35,375 8.003,376 2.39,377 3.602,378 2.509,379 5.595,380 3.199,381 2.221,382 2.955,384 7.167,385 2.158,386 3.384,387 2.266,388 5.001,389 2.935,390 1.929,391 2.64,393 5.521,394 1.906,395 3.2,396 2.122,397 4.814,398 2.706,399 1.742,400 2.506,402 5.094,403 1.673,404 3.035,405 1.79,406 4.468,407 2.487,408 1.535,409 2.302,411 4.393,412 1.472,413 2.994,414 1.535,415 4.302,416 2.478,417 1.503,418 2.224,420 4.028,421 1.447,422 2.82,423 1.509,424 4.09,425 2.319,426 1.414,427 1.949,428 3.528,429 1.217,430 2.578,431 1.224,432 4.021,433 2.054,434 1.08,435 1.58,436 2.991,437 1.049,438 2.545,439 1.064,440 3.441,441 2.019,442 1.056,443 1.486,445 2.388,446 1.014,447 2.353,448 0.957,449 3.41,450 1.785,451 0.818,452 1.223,454 1.948,455 0.788,456 1.913,457 0.774,458 3.059,459 1.364,460 0.418,461 0.621,463 1.027,464 0.394,465 15.433,466 0.482,467 0.849,468 0.027,469 49,470 1.531,471 27.5,472 0.859,473 21.5,474 0.672,475 23.1,476 0.722,477 30.767,478 0.669,479 38.849,480 1.214,481 9.714,482 0.304,483 5.866,484 0.183,485 0.086,487 0.415,491 1,493 0.602,494 0.972,495 0.514,496 0.778,497 0.523,498 0.709,499 0.641,500 0.99,501 0.633,502 0.86,503 0.572,504 0.832,505 0.902,506 1.071,507 0.869,508 1.008,509 0.807,510 0.963,511 0.936,512 0.795,513 0.935,514 0.907,515 0.899,516 0.978,517 0.658,518 0.721,519 0.82,520 0.951,521 0.759,522 0.991,523 0.758,524 0.925,525 0.828,526 1.026,527 0.88,528 1.028,529 0.843,530 0.951,531 1.001,532 0.989,533 0.754,534 1.027,535 1.117,536 1.222,537 1.225,538 1.199,539 1.064,540 1.116,541 6,542 0.187,543 4.444,544 2.132,545 2.284,546 1.302,547 0.92,548 0.637,549 0.397,550 0.275,551 14018,552 43978,553 2.21,554 30.4,556 10,557 1,558 2,559 1,564 1.75,565 2.087,566 3.4,567 -0.372,573 76.684,574 1.667,575 3.635,576 4.828,577 5.437,578 5.524,579 5.524,580 2.871,581 4.5,582 4.972,583 3.54,584 1755.77,585 8.727,586 24183.9,588 1,591 254.084,592 1.348,593 4.942,594 0.162,595 0.007,596 0.081,597 0.036,598 0.042,599 0.024,600 0.017,601 0.013,602 0.01,603 0.008,604 0.401,605 0.33,606 0.75,607 0.476,608 164.315,609 -0.045,610 -0.082,611 0.016,612 -0.004,613 -0.057,614 0.024,615 0.018,616 -0.067,617 -0.016,618 -0.054,619 -0.003,620 -0.061,621 -0.022,622 -0.102,623 -0.022,624 -0.101,625 0.032,626 -0.074,627 -0.115,628 0.126,629 -0.119,630 0.017,631 -0.104,632 -0.041,633 0.023,634 0.042,635 0.01,636 0.006,637 -0.018,638 0.009,639 0.064,640 -0.117,641 0.067,642 -0.065,643 0.031,644 -0.051,645 0.085,646 -0.006,647 0.028,648 0.007,649 0.143,650 -0.013,651 -0.052,652 -0.224,653 -0.03,654 -0.15,655 -0.021,656 -0.056,657 2.204,658 5.938,659 0.906,660 28.098,661 1.019,662 1.108,663 4.218,664 17.789,665 0.757,666 3.638,667 4.025,668 4.382,669 4.71,670 5.03,671 5.198,672 5.412,673 5.617,674 5.787,675 5.922,676 6.375,677 0.743,678 440.88,679 3.638,680 5.22,681 6.116,682 7.029,683 7.941,684 8.859,685 9.776,686 10.697,687 11.617,688 12.54,689 8.7,696 1,697 1,699 2,703 4,704 11,705 2,706 1,709 7,711 27,730 2,731 46,733 29,734 2,735 37,737 51,738 25,739 22,740 6,741 6,742 3,746 6,747 10,748 1,761 25,766 2,771 1,773 2,775 1,779 1,781 14,782 5,783 1,784 7,785 1,790 4,794 0.5,795 1,805 2,807 1,811 1,812 5,815 1,816 2,827 1,831 2,840 3,845 1,846 1,848 32,859 1,869 2,870 2.2,873 1,877 15.333,878 8.636,879 6.75,880 2.712,881 5.576,882 1.623,883 1.101,884 4.271,885 14.53,886 3.98,887 4.684,888 5.38,889 6.047,890 6.694,891 7.151,892 7.692,893 8.24,894 8.732,895 9.195,896 1,897 59,898 11.833,900 5.346,901 7.863,902 22.207,904 19.056,905 2.363,906 75.611,909 1,910 153.024,911 163.307,912 53.481,913 39.149,914 25.145,915 14.96,917 163.307,918 217.318,919 68.441,921 3.124,922 103.81,923 88.678,924 69.862,925 26.731,926 117.711,927 39.149,928 153.024,929 216.788,930 40.105,931 39.149,933 167.984,934 25.145,937 41.864,938 122.4,939 91.672,941 167.984,942 78.626,943 202.455,946 153.024,947 41.402,948 125.029,949 16.786,950 112.825,951 153.024,952 93.586,953 202.455,955 0.599,956 0.365,957 0.2,958 0.114,959 31,960 13,961 0.039,962 2,963 3,964 1.207,965 4.214,966 329.813,967 0.207,968 29,969 158,974 19.031,975 7.181,976 3.09,977 3.372,978 76.8,979 19.589,980 9.04,981 3.096,984 3.27,986 16.786,987 449.066,988 52.5,993 12.938,995 3.215,997 -0.242,999 46.873,1000 50.978,1001 0.302,1002 0.658,1003 0.874,1004 0.984,1005 1,1006 1,1007 5.235,1008 1.742,1009 6.125,1010 5.521,1011 4.71,1012 5.373,1013 1.356,1014 7,1015 4.634,1016 6.486,1017 1.535,1018 7.723,1019 5.094,1020 4.369,1021 5.27,1022 0.325,1023 8.007,1024 4.242,1025 7.824,1026 1.503,1027 9.419,1028 4.393,1029 6.368,1030 7.696,1031 1.511,1032 11.152,1033 6.229,1034 9.199,1035 1.414,1036 11.173,1037 4.028,1038 6.847,1039 8.422,1040 0.653,1041 12.999,1042 6.657,1043 10.604,1044 1.08,1045 12.965,1046 3.528,1047 8.318,1048 10.303,1049 1.739,1050 15.676,1051 8.115,1052 12.031,1053 1.056,1054 14.782,1055 2.991,1056 9.167,1057 11.422,1058 1.001,1059 17.884,1060 8.92,1061 13.475,1062 0.818,1063 16.619,1064 2.388,1065 10.437,1066 13.079,1067 1.993,1068 20.416,1069 10.171,1070 3.339,1071 0.418,1072 18.471,1073 1.948,1074 11.458,1075 14.392,1076 1.37,1077 22.785,1078 11.154,1079 3.012,1080 12.276,1081 20.335,1082 1.027,1083 12.655,1084 15.952,1085 2.264,1086 25.278,1087 12.328,1088 2.867,1089 9.736,1090 22.21,1091 4.582,1092 13.756,1093 17.36,1094 1.754,1095 27.719,1096 13.395,1097 2.694,1098 9.313,1099 24.094,1100 4.374,1101 14.929,1102 18.881,1103 2.551,1104 30.208,1105 14.543,1106 2.515,1107 8.492,1108 25.986,1109 3.919,1110 16.069,1111 20.335,1112 2.143,1113 32.682,1114 15.65,1115 2.221,1116 8.003,1117 27.885,1118 3.626,1119 17.24,1120 21.841,1121 2.851,1122 35.175,1123 16.793,1124 1.929,1125 7.167,1126 29.79,1127 3.35,1128 18.4,1129 23.319,1130 2.535,1131 37.665,1132 17.923,1133 12705,1134 22681,1135 25.372,1136 34.841,1137 57.706,1138 59.066,1139 58.395,1140 56.926,1141 56.758,1142 79.304,1143 2.986,1144 172.894,1145 54.381,1146 5.527,1147 5.752,1148 6.593,1149 5.356,1150 5.339,1151 7.582,1152 2.293,1153 19.74,1154 5.234,1155 12.865,1156 1.56,1157 1.596,1158 1.578,1159 1.539,1160 1.534,1161 2.143,1162 0.081,1163 4.673,1164 1.47,1165 4.164,1166 4.194,1167 4.142,1168 4.088,1169 8.201,1170 4.096,1171 4.047,1172 4.083,1173 4.033,1174 3.938,1175 7.429,1176 3.952,1177 3.89,1178 3.912,1179 3.967,1180 3.822,1181 5.085,1182 3.822,1183 3.676,1184 3.701,1185 3.653,1186 3.59,1187 4.965,1188 3.593,1189 3.403,1190 3.446,1191 3.367,1192 3.271,1193 4.848,1194 3.282,1195 3.176,1196 3.222,1197 3.284,1198 3.015,1199 4.468,1200 3.029,1201 3.033,1202 3.081,1203 3.092,1204 2.905,1205 4.339,1206 2.912,1207 2.896,1208 2.952,1209 2.941,1210 2.797,1211 4.259,1212 2.774,1213 0.127,1214 0.101,1215 0.191,1216 0.116,1217 0.09,1218 4.695,1219 0.124,1220 3.752,1221 0.032,1222 7.084,1223 0.332,1224 4.307,1225 0.087,1226 3.339,1227 4.582,1228 1.2,1229 12.276,1230 3.234,1231 2.087,1232 2.067,1233 2.14,1234 2.169,1235 1.298,1236 2.161,1237 1.897,1238 1.874,1239 1.962,1240 2.004,1241 1.087,1242 1.993,1243 1.824,1244 1.801,1245 1.892,1246 1.922,1247 1.008,1248 1.917,1249 1.616,1250 1.591,1251 1.729,1252 1.742,1253 0.817,1254 1.735,1255 1.464,1256 1.396,1257 1.639,1258 1.684,1259 0.61,1260 1.682,1261 1.22,1262 1.188,1263 1.349,1264 1.394,1265 0.409,1266 1.379,1267 0.998,1268 0.952,1269 1.197,1270 1.167,1271 0.287,1272 1.168,1273 0.97,1274 0.933,1275 1.135,1276 1.131,1277 0.204,1278 1.143,1279 4.317,1281 5.687,1282 2.398,1283 7.262,1284 4.595,1285 8.933,1286 6.581,1287 10.654,1290 6.017,1291 13.773,1300 1.544,1305 34.172,1306 76.684,1307 167.223,1308 222.084,1309 250.084,1310 254.084,1311 254.084,1312 51.389,1313 8.954,1314 63.57,1315 63.57,1316 35,1317 13.047,1318 4.907,1319 4.044,1320 41.141,1321 120,1322 122,1323 0.165,1324 205.94,1325 349.51,1326 494.252,1327 108353,1328 4.3,1329 21.819,1330 0.682,1331 0.54,1332 21.449,1333 17.267,1334 15.581,1335 0.421,1336 0.278,1337 9.837,1338 14.828,1339 9.637,1340 7.902,1341 15.459,1342 10.297,1343 14.596,1344 0.265,1345 0.144,1346 14.508,1347 7.946,1348 13.31,1349 0.168,1350 0.075,1351 12.91,1352 5.902,1353 11.4,1354 0.104,1355 0.039,1356 11.545,1357 4.244,1358 9.92,1359 0.065,1360 0.02,1361 9.911,1362 3.016,1363 0.253,1364 99.964,1365 0.199,1366 29.23,1367 0.475,1368 184,1369 575.318,1370 213.863,1371 571.607,1372 781.97,1373 534,1374 226,1375 566.959,1376 253.824,1377 581.514,1378 863.37,1379 550,1380 6.125}
{0 CHEMBL1765708,1 1.756,2 10.567,3 3.605,4 12.998,5 113.637,6 9.717,7 0.676,8 3.916,9 4.011,10 3.705,11 3.553,12 5.203,13 3.565,14 4.381,15 4.495,16 4.123,17 3.954,18 5.704,19 3.956,20 4.639,21 4.778,22 4.277,23 4.105,24 5.985,25 4.099,26 4.675,27 4.836,28 4.156,29 4.102,30 5.917,31 4.07,32 4.686,33 4.854,34 4.159,35 4.123,36 5.902,37 4.081,38 4.653,39 4.8,40 4.224,41 4.084,42 5.999,43 4.052,44 4.621,45 4.798,46 4.139,47 3.983,48 6.018,49 3.94,50 4.498,51 4.687,52 3.941,53 3.773,54 5.827,55 3.73,56 0.118,57 0.707,58 4.144,59 3.077,60 11.977,61 3.03,62 0.276,63 1.136,64 7.804,65 5.14,66 20.924,67 5.325,68 0.486,69 1.406,70 15.308,71 7.185,72 49.956,73 6.992,74 0.491,75 1.422,76 16.271,77 7.656,78 47.608,79 7.812,80 0.455,81 1.356,82 18.22,83 8.429,84 47.559,85 9.615,86 0.472,87 1.316,88 15.684,89 7.986,90 60.325,91 8.607,92 0.578,93 1.361,94 17.781,95 7.793,96 73.022,97 8.549,98 0.445,99 1.197,100 20.063,101 7.459,102 48.585,103 8.305,104 17,105 50,106 0.297,107 0.627,108 0.795,109 0.875,110 0.885,111 0.885,112 3.442,113 0.827,114 -4.53,115 -4.46,116 -4.2,119 51.2,135 2,142 6,143 4,144 4,145 3,146 1,150 1,158 1,163 1,164 1,165 1,172 8,174 2,175 11,177 2,178 2,183 10,187 9,195 8,198 1,199 13,204 1,207 11,209 1,212 9,217 1,220 12,222 1,223 1,224 5,229 2,232 13,234 2,236 4,237 5,242 2,245 10,247 2,250 3,258 4,262 2,263 6,265 2,266 2,268 1,271 2,273 1,275 1476,276 20.309,277 20.309,278 20.309,279 20.309,280 20.309,281 17.321,282 16.646,283 11.591,284 20.755,285 16.748,286 16.748,287 16.748,288 16.748,289 16.748,290 12.19,291 21.421,292 5.495,293 17.568,294 3.67,295 1.717,296 0.721,297 0.25,298 0.186,299 0.186,300 4.151,301 1,304 1,305 1,306 700,307 2.449,311 329.931,315 195.744,318 1.5,319 37.146,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65.333,331 317,332 4.694,333 3.752,334 7.084,335 4.306,336 3.339,337 4.578,338 1.2,339 12.276,340 3.233,341 4.305,342 3.291,343 6.333,344 3.911,345 2.937,346 3.929,347 0.293,348 9.607,349 2.866,350 4.171,351 3.133,352 6.095,353 3.733,354 2.784,355 3.799,357 8.846,358 2.644,359 3.982,360 2.832,361 5.89,362 3.54,363 2.597,364 3.479,366 8.027,367 2.421,368 3.689,369 2.566,370 5.599,371 3.256,372 2.312,373 3.099,375 7.181,376 2.187,377 3.568,378 2.396,379 5.04,380 3.142,381 2.188,382 2.923,384 6.076,385 2.059,386 3.383,387 2.242,388 5.001,389 2.934,390 1.928,391 2.64,393 5.52,394 1.905,395 3.193,396 2.122,397 4.813,398 2.705,399 1.74,400 2.486,402 5.085,403 1.671,404 2.902,405 1.789,406 4.336,407 2.412,408 1.434,409 2.077,411 4.031,412 1.4,413 2.82,414 1.463,415 4.087,416 2.319,417 1.414,418 1.949,420 3.528,421 1.217,422 2.568,423 1.223,424 4.02,425 2.053,426 1.076,427 1.5,428 2.985,429 1.048,430 2.5,431 1,432 3.414,433 1.917,434 1,435 1.486,436 2.275,437 0.916,438 2.356,439 0.966,440 3.414,441 1.789,442 0.822,443 1.226,445 1.955,446 0.792,447 1.745,448 0.777,449 3.035,450 1.193,451 0.24,452 0.322,454 0.55,455 0.21,456 1.35,457 0.604,458 2.782,459 0.911,465 14.333,466 0.478,467 0.836,468 0.028,469 46.25,470 1.542,471 26,472 0.867,473 20.25,474 0.675,475 20.871,476 0.696,477 29.467,478 0.685,479 36.647,480 1.222,481 9.196,482 0.307,483 5.312,484 0.177,485 0.121,487 0.412,491 1,493 0.653,494 1.008,495 0.524,496 0.785,497 0.614,498 0.709,499 0.614,500 0.916,501 0.608,502 0.825,503 0.562,504 0.8,505 0.947,506 1.053,507 0.88,508 0.984,509 0.835,510 0.939,511 0.93,512 0.845,513 0.943,514 0.967,515 0.91,516 1.032,517 0.688,518 0.701,519 0.796,520 0.902,521 0.746,522 0.94,523 0.794,524 0.958,525 0.835,526 1.051,527 0.89,528 1.046,529 0.841,530 0.923,531 1.012,532 0.992,533 0.797,534 1.037,535 1.147,536 1.301,537 1.266,538 1.281,539 1.104,540 1.178,541 6,542 0.194,543 4.222,544 2,545 2.138,546 1.326,547 0.952,548 0.625,549 0.393,550 0.235,551 11012,552 38085,553 2.145,554 30.2,556 8,558 3,559 2,564 1.735,565 2,566 3.346,567 0.243,569 1,573 75.507,574 1.756,575 3.709,576 4.705,577 5.176,578 5.24,579 5.24,580 2.836,581 4.123,582 4.876,583 3.461,584 1505.6,585 8.544,586 19763.2,588 1,590 1,591 233.329,592 1.429,593 4.837,594 0.176,595 0.011,596 0.084,597 0.036,598 0.043,599 0.026,600 0.019,601 0.014,602 0.011,603 0.009,604 0.43,605 0.33,606 0.88,607 0.551,608 150.517,609 -0.077,610 -0.077,611 0.004,612 0.014,613 -0.1,614 0.038,615 0.062,616 0.034,617 0.018,618 0.007,619 0.033,620 -0.01,621 -0.067,622 -0.071,623 -0.051,624 -0.078,625 0.001,626 -0.066,627 -0.123,628 0.067,629 -0.143,630 -0.042,631 -0.121,632 -0.099,633 0.008,634 0.069,635 0.04,636 0.065,637 -0.019,638 0.078,639 0.037,640 -0.141,641 0.05,642 -0.09,643 0.013,644 -0.078,645 0.104,646 0.023,647 0.021,648 -0.001,649 0.121,650 -0.034,651 -0.071,652 -0.318,653 -0.038,654 -0.222,655 -0.048,656 -0.103,657 2.217,658 5.838,659 0.867,660 25.84,661 1.025,662 1.118,663 3.303,664 10.907,665 0.746,666 3.555,667 3.932,668 4.263,669 4.575,670 4.927,671 5.075,672 5.268,673 5.464,674 5.645,675 5.73,676 6.051,677 0.736,678 417.85,679 3.555,680 5.13,681 6.014,682 6.921,683 7.825,684 8.739,685 9.652,686 10.571,687 11.489,688 12.41,689 11.6,693 1,696 1,699 3,703 2,704 9,705 3,709 8,711 23,722 1,730 2,731 43,733 25,734 2,735 34,737 47,738 22,739 19,740 6,741 6,742 3,746 5,747 8,748 1,761 22,766 2,771 1,773 2,775 1,778 1,779 1,781 13,782 7,783 2,784 8,785 1,790 5,794 0.6,795 1,805 1,806 1,812 5,816 2,827 1,831 2,840 3,845 1,846 1,848 30,849 1,859 1,869 2,870 2.3,873 1,877 15,878 8.002,879 6.389,880 2.426,881 4.656,882 1.552,883 1.066,884 4.375,885 13.086,886 3.882,887 4.559,888 5.218,889 5.859,890 6.54,891 6.956,892 7.473,893 8.006,894 8.527,895 8.904,896 1,897 55,898 11.063,900 4.94,901 7.981,902 20.463,904 17.166,905 2.481,906 74.444,909 1,910 129.482,911 141.965,912 86.378,913 39.149,914 25.145,915 14.96,917 141.965,918 193.776,919 101.338,921 3.124,922 108.707,923 115.519,924 59.551,925 16.859,926 94.169,927 39.149,928 129.482,929 228.343,930 40.105,931 39.149,933 144.442,934 25.145,937 34.31,938 124.724,939 108.458,941 144.442,942 111.523,943 181.114,946 129.482,947 39.013,948 106.077,950 162.507,951 129.482,952 126.483,953 181.114,955 0.597,956 0.357,957 0.191,958 0.116,959 27,960 12,961 0.043,962 2,963 2,964 1.154,965 3.988,966 294.782,967 0.154,968 26,969 143.207,974 18.53,975 7.082,976 3.192,977 1.454,978 126.483,979 14.836,980 12.583,984 3.066,986 32.897,987 437.079,988 47.5,993 12.838,995 3.162,997 -0.265,999 44.091,1000 48.061,1001 0.324,1002 0.684,1003 0.867,1004 0.954,1005 0.966,1006 0.966,1007 5.134,1008 1.74,1009 6.023,1010 5.52,1011 4.615,1012 5.247,1013 1.356,1014 6.889,1015 4.528,1016 6.379,1017 1.434,1018 7.617,1019 5.085,1020 4.29,1021 5.121,1022 0.325,1023 7.892,1024 4.144,1025 7.711,1026 1.414,1027 9.31,1028 4.031,1029 6.263,1030 7.527,1031 1.511,1032 11.033,1033 6.105,1034 9.077,1035 1.076,1036 11.06,1037 3.528,1038 6.735,1039 8.196,1040 0.653,1041 12.886,1042 6.522,1043 10.472,1044 1,1045 12.849,1046 2.985,1047 8.2,1048 10.081,1049 1.739,1050 15.572,1051 7.975,1052 11.888,1053 0.822,1054 14.665,1055 2.275,1056 9.041,1057 11.145,1058 1.001,1059 17.795,1060 8.772,1061 13.322,1062 0.24,1063 16.501,1064 1.955,1065 10.312,1066 12.808,1067 1.993,1068 20.339,1069 10.025,1070 3.339,1072 18.355,1073 0.55,1074 11.33,1075 14.081,1076 1.37,1077 22.722,1078 11.007,1079 2.937,1080 12.276,1081 20.222,1083 12.53,1084 15.645,1085 2.264,1086 25.226,1087 12.184,1088 2.784,1089 9.607,1090 22.101,1091 4.578,1092 13.633,1093 17.03,1094 1.754,1095 27.677,1096 13.254,1097 2.597,1098 8.846,1099 23.989,1100 3.929,1101 14.811,1102 18.553,1103 2.551,1104 30.174,1105 14.407,1106 2.312,1107 8.027,1108 25.887,1109 3.799,1110 15.955,1111 19.996,1112 2.143,1113 32.655,1114 15.521,1115 2.188,1116 7.181,1117 27.792,1118 3.479,1119 17.132,1120 21.505,1121 2.851,1122 35.153,1123 16.669,1124 1.928,1125 6.076,1126 29.703,1127 3.099,1128 18.297,1129 22.979,1130 2.535,1131 37.648,1132 17.805,1133 10314,1134 19330,1135 22.887,1136 32.085,1137 52.638,1138 54.071,1139 53.967,1140 51.821,1141 51.621,1142 70.986,1143 2.986,1144 155.887,1145 49.136,1146 5.526,1147 5.752,1148 6.498,1149 5.375,1150 5.339,1151 7.578,1152 2.293,1153 19.739,1154 5.233,1155 14.384,1156 1.548,1157 1.59,1158 1.587,1159 1.524,1160 1.518,1161 2.088,1162 0.088,1163 4.585,1164 1.445,1165 4.136,1166 4.161,1167 4.122,1168 4.064,1169 8.201,1170 4.072,1171 3.909,1172 3.936,1173 3.988,1174 3.834,1175 7.429,1176 3.835,1177 3.815,1178 3.858,1179 3.801,1180 3.693,1181 5.237,1182 3.706,1183 3.624,1184 3.657,1185 3.597,1186 3.493,1187 4.986,1188 3.508,1189 3.271,1190 3.317,1191 3.312,1192 3.093,1193 4.848,1194 3.117,1195 3.045,1196 3.108,1197 3.202,1198 2.905,1199 4.622,1200 2.913,1201 3.003,1202 3.071,1203 2.954,1204 2.825,1205 4.388,1206 2.838,1207 2.879,1208 2.923,1209 2.899,1210 2.787,1211 4.296,1212 2.765,1213 0.138,1214 0.11,1215 0.208,1216 0.127,1217 0.098,1218 4.694,1219 0.135,1220 3.752,1221 0.035,1222 7.084,1223 0.361,1224 4.306,1225 0.095,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.233,1231 2.082,1232 2.061,1233 2.134,1234 2.167,1235 1.29,1236 2.158,1237 1.873,1238 1.852,1239 1.941,1240 1.982,1241 1.056,1242 1.971,1243 1.756,1244 1.724,1245 1.836,1246 1.903,1247 0.909,1248 1.887,1249 1.576,1250 1.539,1251 1.691,1252 1.726,1253 0.692,1254 1.719,1255 1.194,1256 1.153,1257 1.343,1258 1.41,1259 0.349,1260 1.391,1261 0.996,1262 0.95,1263 1.223,1264 1.241,1265 0.239,1266 1.24,1267 0.948,1268 0.885,1269 1.168,1270 1.162,1271 0.174,1272 1.168,1273 0.868,1274 0.824,1275 1.104,1276 1.036,1277 0.071,1278 1.064,1279 4.234,1281 5.595,1283 7.165,1285 8.831,1287 10.55,1290 5.977,1291 13.701,1293 5.586,1300 1.508,1305 31.667,1306 75.507,1307 159.501,1308 202.31,1309 222.574,1310 225.329,1311 225.329,1312 52.306,1313 8.43,1314 86.69,1315 86.69,1316 30,1317 12.919,1318 4.7,1319 3.858,1320 41.3,1321 105,1322 132,1323 0.19,1324 194.278,1325 334.51,1326 465.797,1327 55659,1328 4.7,1329 20.828,1330 0.694,1331 0.538,1332 20.457,1333 16.137,1334 14.508,1335 0.427,1336 0.276,1337 8.9,1338 13.714,1339 8.719,1340 7.162,1341 14.386,1342 9.368,1343 13.591,1344 0.272,1345 0.143,1346 13.504,1347 7.137,1348 12.04,1349 0.172,1350 0.074,1351 11.641,1352 5.173,1353 9.99,1354 0.104,1355 0.038,1356 10.136,1357 3.633,1358 9.05,1359 0.066,1360 0.019,1361 9.041,1362 2.666,1363 0.288,1364 93.818,1365 0.209,1366 27.62,1367 0.551,1368 168,1369 561.943,1370 199.001,1371 556.863,1372 752.32,1373 518,1374 204,1375 538.297,1376 232.157,1377 551.541,1378 814.34,1379 520,1380 6.125}
{0 CHEMBL1765709,1 1.702,2 10.567,3 4.252,4 18.075,5 115.184,6 9.474,7 0.676,8 3.928,9 4.023,10 3.699,11 3.585,12 5.193,13 3.586,14 4.396,15 4.506,16 4.117,17 3.987,18 5.684,19 3.978,20 4.671,21 4.815,22 4.276,23 4.138,24 5.995,25 4.121,26 4.705,27 4.871,28 4.154,29 4.133,30 5.918,31 4.091,32 4.706,33 4.874,34 4.156,35 4.154,36 5.901,37 4.101,38 4.683,39 4.836,40 4.221,41 4.116,42 6.002,43 4.073,44 4.643,45 4.821,46 4.133,47 4.015,48 6.012,49 3.963,50 4.525,51 4.715,52 3.933,53 3.826,54 5.825,55 3.769,56 0.091,57 0.681,58 4.72,59 3.235,60 10.245,61 3.378,62 0.204,63 1.096,64 8.615,65 5.436,66 14.856,67 5.898,68 0.441,69 1.415,70 17.091,71 7.662,72 48.434,73 7.857,74 0.44,75 1.432,76 18.22,77 8.222,78 44.746,79 8.882,80 0.384,81 1.349,82 19.302,83 8.91,84 41.52,85 10.536,86 0.419,87 1.318,88 17.668,89 8.553,90 56.9,91 9.642,92 0.505,93 1.362,94 19.159,95 8.176,96 69.754,97 9.189,98 0.4,99 1.211,100 21.059,101 7.775,102 44.964,103 8.755,104 17,105 50,106 0.286,107 0.606,108 0.789,109 0.896,110 0.911,111 0.911,112 3.442,113 0.839,114 -5.11,115 -5,116 -4.69,119 52.3,135 2,142 8,143 4,144 4,145 2,146 1,147 1,158 1,163 1,164 1,165 1,172 10,174 1,175 11,177 1,178 1,180 1,183 12,185 1,187 9,192 1,195 11,197 1,198 1,199 11,204 1,207 15,209 1,212 7,217 1,220 14,222 1,223 1,224 7,229 2,232 14,234 2,236 2,237 6,242 2,245 12,247 2,250 3,258 8,262 1,263 4,265 2,266 2,268 1,271 6,273 1,275 1476,276 20.309,277 20.309,278 20.309,279 20.309,280 20.309,281 17.321,282 16.646,283 11.591,284 20.685,285 16.748,286 16.748,287 16.748,288 16.748,289 16.748,290 12.19,291 21.421,292 5.495,293 17.46,294 3.758,295 1.859,296 0.773,297 0.136,298 0.045,299 0.045,300 4.151,301 1,304 1,305 1,306 700,307 2.449,311 329.931,315 195.744,318 1.5,319 35.586,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 64.833,331 317,332 4.694,333 3.752,334 7.084,335 4.306,336 3.339,337 4.578,338 1.2,339 12.276,340 3.233,341 4.305,342 3.291,343 6.333,344 3.913,345 2.937,346 3.929,347 0.293,348 9.607,349 2.873,350 4.171,351 3.133,352 6.095,353 3.736,354 2.784,355 3.799,357 8.846,358 2.652,359 3.982,360 2.832,361 5.89,362 3.543,363 2.597,364 3.479,366 8.027,367 2.426,368 3.689,369 2.566,370 5.599,371 3.272,372 2.312,373 3.099,375 7.181,376 2.21,377 3.568,378 2.396,379 5.04,380 3.156,381 2.188,382 2.923,384 6.076,385 2.106,386 3.383,387 2.242,388 5.001,389 2.934,390 1.928,391 2.64,393 5.52,394 1.905,395 3.193,396 2.122,397 4.813,398 2.705,399 1.74,400 2.486,402 5.085,403 1.671,404 2.902,405 1.789,406 4.336,407 2.418,408 1.434,409 2.077,411 4.031,412 1.409,413 2.82,414 1.463,415 4.087,416 2.319,417 1.414,418 1.949,420 3.528,421 1.217,422 2.568,423 1.223,424 4.02,425 2.053,426 1.076,427 1.5,428 2.985,429 1.048,430 2.5,431 1,432 3.414,433 1.959,434 1,435 1.486,436 2.275,437 0.956,438 2.356,439 0.966,440 3.414,441 1.79,442 0.822,443 1.226,445 1.955,446 0.792,447 1.745,448 0.777,449 3.035,450 1.194,451 0.24,452 0.322,454 0.55,455 0.21,456 1.35,457 0.604,458 2.782,459 0.919,465 14.433,466 0.481,467 0.836,468 0.028,469 45.75,470 1.525,471 26,472 0.867,473 19.75,474 0.658,475 21.157,476 0.705,477 29.367,478 0.667,479 36.361,480 1.212,481 9.118,482 0.304,483 5.39,484 0.18,485 0.12,487 0.409,491 1,493 0.628,494 0.946,495 0.535,496 0.761,497 0.607,498 0.707,499 0.62,500 1.002,501 0.616,502 0.872,503 0.562,504 0.832,505 0.936,506 1.037,507 0.877,508 0.97,509 0.832,510 0.934,511 0.902,512 0.83,513 0.92,514 0.95,515 0.887,516 1.009,517 0.65,518 0.704,519 0.783,520 0.914,521 0.727,522 0.943,523 0.764,524 0.942,525 0.817,526 1.029,527 0.864,528 1.022,529 0.868,530 0.977,531 1.001,532 0.989,533 0.789,534 1.019,535 1.159,536 1.209,537 1.268,538 1.204,539 1.091,540 1.135,541 6,542 0.194,543 4.222,544 2,545 2.138,546 1.326,547 0.952,548 0.625,549 0.393,550 0.235,551 11012,552 36527,553 2.145,554 31.8,556 10,558 2,559 2,564 1.735,565 2,566 3.346,567 0.21,569 1,573 74.87,574 1.702,575 3.601,576 4.687,577 5.323,578 5.414,579 5.414,580 2.836,581 4.123,582 4.876,583 3.461,584 1505.6,585 8.544,586 19763.2,588 1,590 1,591 240.215,592 1.429,593 4.837,594 0.176,595 0.011,596 0.084,597 0.036,598 0.043,599 0.026,600 0.019,601 0.014,602 0.011,603 0.009,604 0.43,605 0.33,606 0.88,607 0.551,608 150.517,609 -0.064,610 -0.031,611 0.005,612 0.035,613 -0.097,614 0.048,615 0.037,616 -0.073,617 0.016,618 -0.04,619 0.022,620 -0.034,621 -0.048,622 -0.052,623 -0.041,624 -0.068,625 0.005,626 -0.059,627 -0.097,628 0.082,629 -0.113,630 -0.025,631 -0.106,632 -0.072,633 0.03,634 0.061,635 0.046,636 0.047,637 -0.01,638 0.062,639 0.062,640 -0.129,641 0.072,642 -0.07,643 0.031,644 -0.052,645 0.078,646 -0.024,647 0.021,648 -0.006,649 0.124,650 -0.028,651 -0.079,652 -0.208,653 -0.068,654 -0.161,655 -0.048,656 -0.088,657 2.21,658 5.848,659 0.867,660 25.84,661 1.02,662 1.113,663 3.878,664 15.038,665 0.746,666 3.555,667 3.932,668 4.263,669 4.575,670 4.927,671 5.075,672 5.268,673 5.464,674 5.645,675 5.73,676 6.051,677 0.731,678 416.86,679 3.555,680 5.13,681 6.014,682 6.921,683 7.825,684 8.739,685 9.652,686 10.571,687 11.489,688 12.41,689 9.1,693 1,696 1,699 2,703 2,704 10,705 2,709 8,711 23,722 1,730 2,731 44,733 25,734 2,735 34,737 48,738 23,739 20,740 6,741 6,742 3,746 5,747 8,748 1,761 23,766 2,771 1,773 2,775 1,778 1,779 1,781 14,782 6,783 2,784 7,785 1,790 4,794 0.6,795 1,805 2,812 5,816 2,827 1,831 2,840 3,845 1,846 1,848 30,849 1,859 1,869 2,870 2.3,873 1,877 15,878 8.136,879 6.389,880 2.503,881 4.656,882 1.552,883 1.068,884 4.411,885 13.086,886 3.882,887 4.559,888 5.218,889 5.859,890 6.54,891 6.956,892 7.473,893 8.006,894 8.527,895 8.904,896 1,897 55,898 11.075,900 4.946,901 7.948,902 20.592,904 17.358,905 2.448,906 73.444,909 1,910 141.253,911 152.299,912 69.593,913 39.149,914 25.145,915 14.96,917 152.299,918 205.547,919 84.553,921 3.124,922 127.66,923 86.963,924 50.504,925 17.288,926 117.711,927 39.149,928 141.253,929 221.891,930 40.105,931 39.149,933 156.213,934 25.145,937 23.363,938 146.005,939 91.672,941 156.213,942 94.737,943 191.447,946 141.253,947 39.442,948 115.982,950 145.722,951 141.253,952 109.698,953 191.447,955 0.597,956 0.357,957 0.191,958 0.116,959 27,960 12,961 0.042,962 2,963 2,964 1.154,965 3.988,966 294.782,967 0.154,968 26,969 147.207,974 18.591,975 7.118,976 3.211,977 1.502,978 109.698,979 17.03,980 8.669,984 3.553,986 32.897,987 442.398,988 47.5,993 12.848,995 3.185,997 -0.253,999 44.873,1000 48.978,1001 0.312,1002 0.66,1003 0.858,1004 0.975,1005 0.992,1006 0.992,1007 5.134,1008 1.74,1009 6.023,1010 5.52,1011 4.615,1012 5.247,1013 1.356,1014 6.889,1015 4.538,1016 6.379,1017 1.434,1018 7.617,1019 5.085,1020 4.29,1021 5.121,1022 0.325,1023 7.892,1024 4.151,1025 7.711,1026 1.414,1027 9.31,1028 4.031,1029 6.263,1030 7.527,1031 1.511,1032 11.033,1033 6.121,1034 9.077,1035 1.076,1036 11.06,1037 3.528,1038 6.735,1039 8.196,1040 0.653,1041 12.886,1042 6.533,1043 10.472,1044 1,1045 12.849,1046 2.985,1047 8.2,1048 10.081,1049 1.739,1050 15.572,1051 7.992,1052 11.888,1053 0.822,1054 14.665,1055 2.275,1056 9.041,1057 11.145,1058 1.001,1059 17.795,1060 8.784,1061 13.322,1062 0.24,1063 16.501,1064 1.955,1065 10.312,1066 12.808,1067 1.993,1068 20.339,1069 10.04,1070 3.339,1072 18.355,1073 0.55,1074 11.33,1075 14.081,1076 1.37,1077 22.722,1078 11.018,1079 2.937,1080 12.276,1081 20.222,1083 12.53,1084 15.645,1085 2.264,1086 25.226,1087 12.197,1088 2.784,1089 9.607,1090 22.101,1091 4.578,1092 13.633,1093 17.03,1094 1.754,1095 27.677,1096 13.265,1097 2.597,1098 8.846,1099 23.989,1100 3.929,1101 14.811,1102 18.553,1103 2.551,1104 30.174,1105 14.418,1106 2.312,1107 8.027,1108 25.887,1109 3.799,1110 15.955,1111 19.996,1112 2.143,1113 32.655,1114 15.53,1115 2.188,1116 7.181,1117 27.792,1118 3.479,1119 17.132,1120 21.505,1121 2.851,1122 35.153,1123 16.679,1124 1.928,1125 6.076,1126 29.703,1127 3.099,1128 18.297,1129 22.979,1130 2.535,1131 37.648,1132 17.813,1133 10314,1134 18942,1135 22.887,1136 32.841,1137 52.638,1138 54.071,1139 53.967,1140 51.83,1141 51.621,1142 70.986,1143 2.986,1144 155.887,1145 49.417,1146 5.526,1147 5.752,1148 6.498,1149 5.35,1150 5.339,1151 7.578,1152 2.293,1153 19.739,1154 5.233,1155 14.384,1156 1.548,1157 1.59,1158 1.587,1159 1.524,1160 1.518,1161 2.088,1162 0.088,1163 4.585,1164 1.453,1165 4.138,1166 4.162,1167 4.123,1168 4.068,1169 8.201,1170 4.075,1171 3.915,1172 3.942,1173 3.989,1174 3.84,1175 7.429,1176 3.842,1177 3.837,1178 3.871,1179 3.817,1180 3.743,1181 5.178,1182 3.75,1183 3.633,1184 3.662,1185 3.604,1186 3.531,1187 4.985,1188 3.536,1189 3.277,1190 3.321,1191 3.313,1192 3.115,1193 4.848,1194 3.134,1195 3.047,1196 3.108,1197 3.206,1198 2.905,1199 4.592,1200 2.913,1201 3.004,1202 3.071,1203 2.955,1204 2.849,1205 4.379,1206 2.856,1207 2.879,1208 2.925,1209 2.901,1210 2.79,1211 4.291,1212 2.766,1213 0.138,1214 0.11,1215 0.208,1216 0.127,1217 0.098,1218 4.694,1219 0.135,1220 3.752,1221 0.035,1222 7.084,1223 0.361,1224 4.306,1225 0.095,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.233,1231 2.085,1232 2.065,1233 2.139,1234 2.168,1235 1.294,1236 2.16,1237 1.883,1238 1.86,1239 1.956,1240 1.989,1241 1.065,1242 1.983,1243 1.799,1244 1.77,1245 1.884,1246 1.912,1247 0.96,1248 1.908,1249 1.603,1250 1.574,1251 1.725,1252 1.73,1253 0.778,1254 1.728,1255 1.209,1256 1.172,1257 1.355,1258 1.412,1259 0.378,1260 1.394,1261 0.997,1262 0.95,1263 1.225,1264 1.241,1265 0.262,1266 1.241,1267 0.961,1268 0.908,1269 1.168,1270 1.162,1271 0.186,1272 1.168,1273 0.868,1274 0.824,1275 1.106,1276 1.04,1277 0.144,1278 1.066,1279 4.234,1281 5.595,1283 7.165,1285 8.831,1287 10.55,1290 5.984,1291 13.707,1293 5.697,1300 1.523,1305 32.172,1306 74.87,1307 158.441,1308 206.215,1309 234.215,1310 238.215,1311 238.215,1312 52.659,1313 8.43,1314 73.8,1315 73.8,1316 30,1317 12.919,1318 4.7,1319 3.858,1320 41.3,1321 105,1322 132,1323 0.19,1324 197.076,1325 340.81,1326 472.625,1327 55659,1328 4.5,1329 20.828,1330 0.694,1331 0.542,1332 20.457,1333 16.267,1334 14.508,1335 0.427,1336 0.28,1337 9.056,1338 13.782,1339 8.86,1340 7.283,1341 14.386,1342 9.508,1343 13.591,1344 0.272,1345 0.146,1346 13.504,1347 7.278,1348 12.04,1349 0.172,1350 0.076,1351 11.641,1352 5.288,1353 9.99,1354 0.104,1355 0.039,1356 10.136,1357 3.722,1358 9.05,1359 0.066,1360 0.02,1361 9.041,1362 2.738,1363 0.288,1364 93.364,1365 0.209,1366 27.62,1367 0.551,1368 168,1369 542.298,1370 197.169,1371 539.634,1372 729.92,1373 502,1374 204,1375 521.832,1376 230.491,1377 536.069,1378 791.64,1379 506,1380 6.602}
{0 CHEMBL1765710,1 1.549,2 11.455,3 5.337,4 28.484,5 121.659,6 9.072,7 0.737,8 4.016,9 4.102,10 3.759,11 3.693,12 5.275,13 3.695,14 4.5,15 4.606,16 4.168,17 4.095,18 5.785,19 4.094,20 4.785,21 4.934,22 4.308,23 4.24,24 6.167,25 4.23,26 4.809,27 4.979,28 4.205,29 4.228,30 6.038,31 4.194,32 4.795,33 4.963,34 4.194,35 4.232,36 6.009,37 4.191,38 4.781,39 4.938,40 4.209,41 4.189,42 6.158,43 4.158,44 4.751,45 4.932,46 4.139,47 4.099,48 6.132,49 4.07,50 4.651,51 4.841,52 3.983,53 3.942,54 5.992,55 3.913,56 0.067,57 0.748,58 5.389,59 3.747,60 7,61 3.955,62 0.179,63 1.25,64 9.778,65 6.142,66 13.555,67 6.455,68 0.514,69 1.828,70 17.538,71 8.854,72 76.222,73 9.268,74 0.477,75 1.716,76 19.375,77 9.191,78 48.222,79 9.878,80 0.394,81 1.582,82 19.621,83 9.619,84 48.888,85 11.05,86 0.475,87 1.585,88 18.777,89 9.51,90 80.888,91 10.7,92 0.508,93 1.679,94 19.729,95 9.3,96 72.888,97 10.45,98 0.438,99 1.601,100 19.036,101 8.773,102 59.222,103 9.756,104 10,105 56,106 0.254,107 0.514,108 0.716,109 0.873,110 0.914,111 0.914,112 3.533,113 0.816,114 -5.65,115 -5.52,116 -5.15,119 56.3,135 2,142 11,143 5,144 4,145 2,146 2,158 1,172 14,174 1,175 12,183 16,187 11,195 15,198 1,199 11,207 18,212 7,220 19,223 1,224 6,232 18,236 2,237 6,245 16,250 4,258 9,262 1,263 8,271 7,275 1868,276 22.67,277 22.67,278 22.67,279 22.67,280 22.67,281 19.192,282 13.501,283 13.001,284 22.951,285 18.753,286 18.753,287 18.753,288 18.753,289 18.753,290 13.429,291 18.957,292 6.166,293 19.275,294 4.036,295 2.446,296 1.209,297 0.25,300 4.256,304 1,305 1,306 854,307 2.55,311 420.593,315 338.666,318 1.62,319 41.199,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 71.5,331 378,332 4.695,333 3.752,334 7.084,335 4.307,336 3.339,337 4.582,338 1.2,339 12.276,340 3.235,341 4.439,342 3.279,343 6.354,344 3.989,345 3.004,346 4.347,347 0.293,348 9.73,349 2.959,350 4.274,351 3.139,352 6.232,353 3.828,354 2.862,355 3.919,357 9.3,358 2.765,359 4.078,360 2.961,361 5.98,362 3.654,363 2.689,364 3.622,366 8.477,367 2.591,368 3.887,369 2.668,370 5.881,371 3.486,372 2.511,373 3.348,375 8.002,376 2.432,377 3.601,378 2.506,379 5.595,380 3.202,381 2.22,382 2.955,384 7.166,385 2.173,386 3.384,387 2.266,388 5.001,389 2.937,390 1.929,391 2.64,393 5.521,394 1.922,395 3.202,396 2.104,397 4.814,398 2.708,399 1.743,400 2.511,402 5.094,403 1.677,404 3.118,405 1.789,406 4.493,407 2.587,408 1.618,409 2.427,411 4.5,412 1.57,413 3.047,414 1.618,415 4.324,416 2.55,417 1.557,418 2.303,420 4.072,421 1.541,422 2.82,423 1.562,424 4.09,425 2.353,426 1.414,427 1.955,428 3.528,429 1.312,430 2.807,431 1.315,432 4.021,433 2.303,434 1.31,435 1.948,436 3.013,437 1.299,438 2.568,439 1.222,440 3.609,441 2.053,442 1.076,443 1.486,445 2.926,446 1.048,447 2.362,448 0.965,449 3.414,450 1.795,451 0.83,452 1.237,454 1.963,455 0.798,456 2.154,457 0.78,458 3.168,459 1.623,460 0.653,461 0.978,463 1.537,464 0.632,465 15.605,466 0.473,467 0.849,468 0.026,469 51,470 1.545,471 29.5,472 0.894,473 21.5,474 0.652,475 22.891,476 0.694,477 31.795,478 0.662,479 41.772,480 1.266,481 10.233,482 0.31,483 5.847,484 0.177,485 0.058,487 0.41,491 2,493 0.525,494 0.869,495 0.568,496 0.833,497 0.505,498 0.75,499 0.619,500 0.968,501 0.714,502 0.941,503 0.572,504 0.88,505 0.829,506 0.948,507 0.893,508 0.954,509 0.735,510 0.939,511 0.845,512 0.767,513 1.052,514 0.925,515 0.813,516 1.001,517 0.678,518 0.713,519 0.904,520 0.936,521 0.736,522 0.973,523 0.741,524 0.932,525 0.91,526 1.05,527 0.799,528 1.046,529 0.883,530 1.025,531 0.961,532 1.032,533 0.849,534 1.024,535 1.171,536 1.201,537 1.065,538 1.118,539 1.177,540 1.083,541 6,542 0.206,543 4.444,544 2.063,545 2.471,546 1.354,547 0.891,548 0.661,549 0.422,550 0.294,551 15260,552 46369,553 2.203,554 31.3,556 13,558 2,564 1.757,565 2.084,566 3.471,567 -0.811,573 74.338,574 1.549,575 3.139,576 4.376,577 5.335,578 5.585,579 5.585,580 2.904,581 4.863,582 5.016,583 3.6,584 1900.76,585 8.813,586 26843.9,591 268.078,592 1.337,593 4.987,594 0.158,595 0.007,596 0.079,597 0.033,598 0.044,599 0.024,600 0.016,601 0.013,602 0.01,603 0.008,604 0.394,605 0.5,606 0.75,607 0.467,608 171.548,609 -0.014,610 -0.064,611 0.04,612 -0.012,613 -0.044,614 0.017,615 0.007,616 -0.114,617 -0.028,618 -0.1,619 -0.005,620 -0.085,621 0.042,622 0.002,623 -0.028,624 -0.039,625 0.096,626 -0.046,627 -0.063,628 0.101,629 -0.143,630 0.004,631 -0.074,632 -0.058,633 0.004,634 0.042,635 0.016,636 0.019,637 -0.03,638 0.021,639 0.093,640 -0.107,641 0.022,642 -0.088,643 0.09,644 -0.07,645 0.076,646 -0.053,647 0.044,648 -0.047,649 0.096,650 -0.024,651 -0.041,652 -0.119,653 0.006,654 -0.094,655 -0.048,656 -0.053,657 2.683,658 6.014,659 0.909,660 30.334,661 1.018,662 1.11,663 4.424,664 19.571,665 0.743,666 3.664,667 4.043,668 4.394,669 4.718,670 5.069,671 5.215,672 5.425,673 5.631,674 5.832,675 5.938,676 6.601,677 0.734,678 435.45,679 3.664,680 5.242,681 6.133,682 7.043,683 7.952,684 8.867,685 9.783,686 10.702,687 11.62,688 12.541,689 6.3,696 1,699 2,703 4,704 13,705 2,709 7,711 28,730 2,731 48,733 30,734 3,735 38,737 53,738 27,739 24,740 8,741 10,742 3,746 6,747 10,761 27,766 2,771 1,773 2,775 1,779 2,781 15,782 6,784 6,790 3,794 0.5,795 1,805 2,812 6,816 3,827 1,831 2,840 3,846 2,848 33,859 1,869 2,870 2.1,873 1,877 15.833,878 9.052,879 7,880 2.871,881 5.864,882 1.647,883 1.094,884 4.362,885 14.922,886 4.007,887 4.705,888 5.396,889 6.059,890 6.749,891 7.178,892 7.715,893 8.264,894 8.816,895 9.218,896 0.875,897 62,898 12.276,900 5.594,901 7.955,902 22.849,904 19.558,905 2.455,906 81,910 176.567,911 188.737,912 36.695,914 25.145,915 29.92,917 188.737,918 201.711,919 66.616,921 3.124,922 123.191,923 86.963,924 60.841,925 29.92,926 153.024,928 176.567,929 225.433,930 55.065,933 206.487,934 25.145,937 25.507,938 147.402,939 52.524,941 206.487,942 61.84,943 188.737,946 176.567,947 47.451,948 144.41,950 88.636,951 176.567,952 91.761,953 188.737,955 0.596,956 0.362,957 0.199,958 0.118,959 31,960 13,961 0.038,962 2,963 3,964 1.2,965 4.29,966 342.022,967 0.2,968 30,969 166.465,974 19.427,975 7.409,976 3.204,977 3.327,978 91.761,979 22.635,980 9.074,984 1.375,987 457.064,988 54,993 12.891,995 3.082,997 -0.348,999 48.843,1000 53.29,1001 0.277,1002 0.562,1003 0.783,1004 0.955,1005 1,1006 1,1007 5.257,1008 1.743,1009 6.138,1010 5.521,1011 4.727,1012 5.394,1013 1.356,1014 7.008,1015 4.673,1016 6.505,1017 1.618,1018 7.731,1019 5.094,1020 4.369,1021 5.27,1022 0.325,1023 8.007,1024 4.275,1025 7.839,1026 1.557,1027 9.425,1028 4.5,1029 6.378,1030 7.71,1031 1.511,1032 11.154,1033 6.272,1034 9.21,1035 1.414,1036 11.177,1037 4.072,1038 6.836,1039 8.405,1040 0.653,1041 12.996,1042 6.685,1043 10.611,1044 1.31,1045 12.966,1046 3.528,1047 8.319,1048 10.306,1049 1.739,1050 15.675,1051 8.156,1052 12.034,1053 1.076,1054 14.783,1055 3.013,1056 9.155,1057 11.401,1058 1.001,1059 17.882,1060 8.949,1061 13.474,1062 0.83,1063 16.619,1064 2.926,1065 10.433,1066 13.071,1067 1.993,1068 20.414,1069 10.21,1070 3.339,1071 0.653,1072 18.47,1073 1.963,1074 11.447,1075 14.368,1076 1.37,1077 22.783,1078 11.185,1079 3.004,1080 12.276,1081 20.334,1082 1.537,1083 12.647,1084 15.936,1085 2.264,1086 25.277,1087 12.363,1088 2.862,1089 9.73,1090 22.208,1091 4.582,1092 13.745,1093 17.334,1094 1.754,1095 27.718,1096 13.426,1097 2.689,1098 9.3,1099 24.092,1100 4.347,1101 14.92,1102 18.859,1103 2.551,1104 30.207,1105 14.575,1106 2.511,1107 8.477,1108 25.984,1109 3.919,1110 16.059,1111 20.307,1112 2.143,1113 32.681,1114 15.68,1115 2.22,1116 8.002,1117 27.883,1118 3.622,1119 17.23,1120 21.815,1121 2.851,1122 35.174,1123 16.823,1124 1.929,1125 7.166,1126 29.788,1127 3.348,1128 18.39,1129 23.29,1130 2.535,1131 37.664,1132 17.95,1133 13880,1134 24395,1135 26.065,1136 35.676,1137 58.883,1138 60.433,1139 59.875,1140 58.073,1141 57.987,1142 81.154,1143 2.986,1144 175.306,1145 56.343,1146 5.527,1147 5.752,1148 6.771,1149 5.351,1150 5.339,1151 7.582,1152 2.293,1153 19.74,1154 5.235,1155 13.166,1156 1.55,1157 1.59,1158 1.576,1159 1.528,1160 1.526,1161 2.136,1162 0.079,1163 4.613,1164 1.483,1165 4.156,1166 4.181,1167 4.128,1168 4.092,1169 8.24,1170 4.097,1171 4.024,1172 4.051,1173 3.989,1174 3.951,1175 8.161,1176 3.957,1177 3.893,1178 3.919,1179 3.862,1180 3.808,1181 7.429,1182 3.816,1183 3.679,1184 3.703,1185 3.629,1186 3.599,1187 5.039,1188 3.6,1189 3.441,1190 3.479,1191 3.377,1192 3.34,1193 4.933,1194 3.342,1195 3.208,1196 3.251,1197 3.144,1198 3.051,1199 4.551,1200 3.066,1201 3.038,1202 3.088,1203 2.982,1204 2.896,1205 4.449,1206 2.907,1207 2.99,1208 3.05,1209 2.89,1210 2.859,1211 4.31,1212 2.858,1213 0.124,1214 0.099,1215 0.186,1216 0.113,1217 0.088,1218 4.695,1219 0.121,1220 3.752,1221 0.032,1222 7.084,1223 0.323,1224 4.307,1225 0.085,1226 3.339,1227 4.582,1228 1.2,1229 12.276,1230 3.235,1231 2.103,1232 2.083,1233 2.162,1234 2.181,1235 1.309,1236 2.175,1237 2.003,1238 1.979,1239 2.074,1240 2.093,1241 1.19,1242 2.089,1243 1.855,1244 1.832,1245 1.935,1246 1.959,1247 1.034,1248 1.951,1249 1.661,1250 1.637,1251 1.774,1252 1.766,1253 0.864,1254 1.767,1255 1.422,1256 1.388,1257 1.567,1258 1.554,1259 0.629,1260 1.559,1261 1.151,1262 1.113,1263 1.313,1264 1.342,1265 0.351,1266 1.331,1267 0.995,1268 0.948,1269 1.209,1270 1.168,1271 0.249,1272 1.176,1273 0.982,1274 0.926,1275 1.18,1276 1.153,1277 0.235,1278 1.168,1279 4.344,1281 5.707,1283 7.284,1285 8.958,1287 10.683,1291 27.569,1300 1.393,1305 35.233,1306 74.338,1307 150.666,1308 210.024,1309 256.078,1310 268.078,1311 268.078,1312 60.086,1313 9.058,1314 47.78,1315 47.78,1316 36,1317 13.05,1318 4.954,1319 4.087,1320 43.022,1321 128,1322 142,1323 0.162,1324 208.268,1325 361.33,1326 499.934,1327 124461,1328 4.2,1329 22.526,1330 0.683,1331 0.52,1332 20.786,1333 17.166,1334 16.081,1335 0.423,1336 0.272,1337 10.216,1338 15.572,1339 10.044,1340 8.249,1341 15.276,1342 10.335,1343 14.949,1344 0.267,1345 0.14,1346 13.82,1347 7.816,1348 13.56,1349 0.169,1350 0.073,1351 12.571,1352 5.802,1353 11.571,1354 0.104,1355 0.038,1356 11.151,1357 4.2,1358 10.457,1359 0.066,1360 0.02,1361 10.077,1362 3.111,1363 0.248,1364 100.201,1365 0.196,1366 30.047,1367 0.461,1368 188,1369 634.893,1370 204.398,1371 573.566,1372 784.75,1373 536,1374 230,1375 583.458,1376 246.977,1377 583.429,1378 865.15,1379 552,1380 6.125}
{0 CHEMBL1765711,1 1.673,2 9.897,3 3.801,4 14.445,5 106.322,6 9.033,7 0.667,8 3.913,9 4.011,10 3.647,11 3.521,12 5.179,13 3.536,14 4.405,15 4.537,16 4.053,17 3.917,18 5.693,19 3.934,20 4.64,21 4.792,22 4.153,23 4.054,24 6.06,25 4.055,26 4.68,27 4.851,28 4.086,29 4.071,30 5.925,31 4.045,32 4.681,33 4.852,34 4.095,35 4.08,36 5.92,37 4.054,38 4.674,39 4.832,40 4.1,41 4.034,42 6.09,43 4.015,44 4.656,45 4.858,46 4.004,47 3.903,48 6.053,49 3.883,50 4.483,51 4.682,52 3.796,53 3.668,54 5.876,55 3.66,56 0.115,57 0.782,58 5.158,59 3.508,60 8.246,61 3.653,62 0.279,63 1.272,64 10.533,65 5.601,66 18.414,67 5.857,68 0.588,69 1.7,70 15.437,71 7.519,72 78.038,73 7.549,74 0.509,75 1.558,76 17.467,77 8.275,78 49.966,79 9.052,80 0.465,81 1.487,82 17.957,83 8.474,84 51.416,85 9.607,86 0.538,87 1.523,88 16.837,89 8.454,90 80.085,91 9.265,92 0.623,93 1.582,94 19.874,95 8.539,96 80.351,97 9.857,98 0.498,99 1.418,100 16.77,101 7.22,102 62.351,103 7.871,104 17,105 49,106 0.283,107 0.631,108 0.807,109 0.892,110 0.9,111 0.9,112 3.41,113 0.809,114 -4.86,115 -4.77,116 -4.48,119 51.2,124 1,135 2,142 6,143 4,144 4,145 2,146 1,151 1,158 1,166 1,172 8,174 1,175 11,183 9,187 9,195 7,198 1,199 12,207 10,212 9,220 12,223 1,224 4,232 10,236 4,237 5,245 8,250 2,258 2,262 2,263 6,275 1337,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 16.743,282 16.664,283 11.141,284 19.907,285 16.265,286 16.265,287 16.265,288 16.265,289 16.265,290 11.862,291 21.457,292 5.287,293 16.835,294 3.754,295 1.699,296 0.657,297 0.157,298 0.111,299 0.111,300 4.118,303 1,304 1,305 1,306 636,307 2.449,310 63.935,311 238.111,315 186.112,318 1.356,319 39.504,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 64,331 287,332 4.695,333 3.752,334 7.084,335 4.307,336 3.339,337 4.578,338 1.2,339 12.276,340 3.234,341 4.319,342 3.279,343 6.337,344 3.932,345 2.954,346 3.941,347 0.293,348 9.634,349 2.89,350 4.2,351 3.136,352 6.12,353 3.765,354 2.805,355 3.853,357 8.943,358 2.689,359 3.995,360 2.877,361 5.891,362 3.565,363 2.61,364 3.488,366 8.038,367 2.481,368 3.658,369 2.574,370 5.602,371 3.258,372 2.285,373 3.037,375 7.197,376 2.216,377 3.502,378 2.361,379 5.047,380 3.083,381 2.116,382 2.857,384 6.039,385 2.038,386 3.38,387 2.17,388 5,389 2.934,390 1.926,391 2.64,393 5.52,394 1.917,395 3.184,396 2.103,397 4.811,398 2.703,399 1.736,400 2.466,402 5.071,403 1.673,404 2.82,405 1.785,406 4.19,407 2.353,408 1.414,409 1.949,411 3.573,412 1.311,413 2.73,414 1.332,415 4.065,416 2.261,417 1.283,418 1.815,420 3.516,421 1.253,422 2.565,423 1.22,424 4.011,425 2.053,426 1.076,427 1.486,428 2.968,429 1.048,430 2.351,431 0.963,432 3.413,433 1.786,434 0.824,435 1.224,436 1.952,437 0.789,438 2.174,439 0.784,440 3.269,441 1.617,442 0.674,443 1.007,445 1.655,446 0.634,447 1.737,448 0.688,449 3.032,450 1.194,451 0.237,452 0.316,454 0.544,455 0.217,456 1.334,457 0.585,458 2.748,459 0.892,460 -0.049,461 -0.068,463 -0.119,464 -0.046,465 13.505,466 0.466,467 0.836,468 0.029,469 42.75,470 1.474,471 23.5,472 0.81,473 19.25,474 0.664,475 20.234,476 0.698,477 29.095,478 0.677,479 34.716,480 1.197,481 8.683,482 0.299,483 5.325,484 0.184,485 0.104,487 0.429,491 2,493 0.536,494 0.941,495 0.57,496 0.916,497 0.506,498 0.805,499 0.696,500 0.958,501 0.677,502 0.844,503 0.566,504 0.768,505 0.894,506 0.932,507 0.948,508 0.948,509 0.791,510 0.949,511 0.808,512 0.792,513 0.983,514 0.959,515 0.81,516 1.007,517 0.698,518 0.723,519 0.859,520 0.922,521 0.738,522 0.939,523 0.762,524 0.988,525 0.926,526 1.126,527 0.815,528 1.107,529 0.846,530 0.99,531 0.902,532 1.016,533 0.839,534 0.995,535 1.251,536 1.334,537 1.087,538 1.219,539 1.261,540 1.143,541 6,542 0.119,543 4,544 2.097,545 2.166,546 1.226,547 0.857,548 0.635,549 0.351,550 0.257,551 9948,552 32491,553 2.15,554 32.6,556 11,557 1,558 2,564 1.727,565 2,566 3.269,567 -0.751,569 1,573 71.919,574 1.673,575 3.727,576 4.769,577 5.269,578 5.316,579 5.316,580 2.68,581 4.858,582 4.829,583 3.38,584 1372.44,585 8.452,586 17538.8,588 1,590 1,591 233.329,592 1.44,593 4.786,594 0.182,595 0.008,596 0.082,597 0.04,598 0.044,599 0.025,600 0.018,601 0.015,602 0.011,603 0.011,604 0.436,605 0.5,606 0.88,607 0.562,608 143.358,609 0.006,610 -0.071,611 0.048,612 -0.043,613 -0.042,614 -0.006,615 -0.036,616 -0.062,617 0.051,618 0.037,619 0.007,620 0.069,621 -0.011,622 0.047,623 -0.11,624 -0.019,625 0.069,626 -0.065,627 -0.048,628 0.067,629 -0.102,630 -0.01,631 -0.066,632 -0.052,633 -0.012,634 0.043,635 0.03,636 0.037,637 -0.03,638 0.047,639 0.067,640 -0.152,641 -0.031,642 -0.161,643 0.072,644 -0.145,645 0.108,646 -0.041,647 0.132,648 -0.023,649 0.109,650 0.031,651 -0.072,652 -0.236,653 -0.013,654 -0.203,655 -0.061,656 -0.129,657 2.68,658 5.886,659 0.862,660 23.37,661 1.025,662 1.125,663 3.633,664 13.195,665 0.719,666 3.526,667 3.912,668 4.248,669 4.575,670 4.89,671 5.05,672 5.252,673 5.46,674 5.635,675 5.694,676 5.789,677 0.715,678 388.4,679 3.526,680 5.106,681 5.994,682 6.907,683 7.815,684 8.733,685 9.649,686 10.571,687 11.491,688 12.415,689 9.3,696 1,697 1,699 2,703 2,704 9,705 2,709 7,710 1,711 22,730 2,731 43,733 24,734 2,735 33,737 47,738 22,739 18,740 6,741 6,742 3,746 5,747 8,761 21,762 1,766 2,771 1,773 2,775 1,778 1,779 2,781 14,782 6,784 7,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,844 1,846 2,848 29,859 1,869 2,870 2.3,873 1,877 14.5,878 8.419,879 6.139,880 2.482,881 4.428,882 1.531,883 1.065,884 3.953,885 12.761,886 3.85,887 4.535,888 5.199,889 5.851,890 6.478,891 6.927,892 7.451,893 7.994,894 8.502,895 8.842,896 0.857,897 52,898 10.783,900 4.884,901 8.04,902 19.885,904 16.776,905 2.54,906 73.667,909 1,910 164.795,911 154.083,912 38.349,914 25.145,915 29.92,917 154.083,918 189.94,919 68.27,920 8.396,921 3.124,922 84.857,923 86.84,924 57.901,925 41.691,926 129.482,928 164.795,929 192.432,930 55.065,933 194.716,934 25.145,937 25.14,938 114.891,939 52.401,941 194.716,942 63.494,943 154.083,946 164.795,947 42.734,948 116.25,950 88.514,951 164.795,952 93.415,953 154.083,955 0.599,956 0.36,957 0.196,958 0.114,959 27,960 12,961 0.043,962 2,963 2,964 1.16,965 3.902,966 283.593,967 0.16,968 25,969 140.881,974 17.57,975 6.525,976 2.885,977 1.415,978 91.638,979 14.453,980 8.676,984 1.397,985 1.706,987 412.293,988 46,993 12.745,995 3.069,997 -0.345,999 44.062,1000 48.373,1001 0.308,1002 0.687,1003 0.879,1004 0.971,1005 0.98,1006 0.98,1007 5.109,1008 1.736,1009 6.009,1010 5.52,1011 4.595,1012 5.223,1013 1.356,1014 6.882,1015 4.529,1016 6.358,1017 1.414,1018 7.607,1019 5.071,1020 4.29,1021 5.121,1022 0.325,1023 7.892,1024 4.179,1025 7.694,1026 1.283,1027 9.304,1028 3.573,1029 6.252,1030 7.51,1031 1.511,1032 11.038,1033 6.124,1034 9.064,1035 1.076,1036 11.057,1037 3.516,1038 6.746,1039 8.216,1040 0.653,1041 12.894,1042 6.571,1043 10.464,1044 0.824,1045 12.848,1046 2.968,1047 8.199,1048 10.075,1049 1.739,1050 15.581,1051 8.009,1052 11.885,1053 0.674,1054 14.666,1055 1.952,1056 9.058,1057 11.172,1058 1.001,1059 17.804,1060 8.823,1061 13.323,1062 0.237,1063 16.505,1064 1.655,1065 10.321,1066 12.812,1067 1.993,1068 20.347,1069 10.067,1070 3.339,1071 -0.049,1072 18.359,1073 0.544,1074 11.349,1075 14.108,1076 1.37,1077 22.729,1078 11.056,1079 2.954,1080 12.276,1081 20.227,1082 -0.119,1083 12.545,1084 15.657,1085 2.264,1086 25.232,1087 12.229,1088 2.805,1089 9.634,1090 22.107,1091 4.578,1092 13.652,1093 17.054,1094 1.754,1095 27.682,1096 13.301,1097 2.61,1098 8.943,1099 23.996,1100 3.941,1101 14.829,1102 18.568,1103 2.551,1104 30.178,1105 14.451,1106 2.285,1107 8.038,1108 25.893,1109 3.853,1110 15.975,1111 20.018,1112 2.143,1113 32.659,1114 15.564,1115 2.116,1116 7.197,1117 27.798,1118 3.488,1119 17.15,1120 21.522,1121 2.851,1122 35.156,1123 16.71,1124 1.926,1125 6.039,1126 29.709,1127 3.037,1128 18.316,1129 22.999,1130 2.535,1131 37.65,1132 17.844,1133 9302,1134 16974,1135 22.194,1136 30.921,1137 51.589,1138 52.84,1139 52.595,1140 50.64,1141 50.561,1142 69.316,1143 2.986,1144 153.851,1145 48.783,1146 5.526,1147 5.752,1148 6.46,1149 5.35,1150 5.339,1151 7.578,1152 2.293,1153 19.74,1154 5.234,1155 13.971,1156 1.563,1157 1.601,1158 1.594,1159 1.535,1160 1.532,1161 2.1,1162 0.09,1163 4.662,1164 1.478,1165 4.142,1166 4.17,1167 4.115,1168 4.067,1169 8.24,1170 4.075,1171 3.933,1172 3.979,1173 3.899,1174 3.823,1175 8.161,1176 3.834,1177 3.857,1178 3.897,1179 3.82,1180 3.715,1181 7.429,1182 3.733,1183 3.635,1184 3.666,1185 3.582,1186 3.507,1187 5.028,1188 3.519,1189 3.27,1190 3.317,1191 3.211,1192 3.093,1193 4.901,1194 3.113,1195 3.056,1196 3.129,1197 2.989,1198 2.896,1199 4.547,1200 2.908,1201 3.022,1202 3.081,1203 2.872,1204 2.858,1205 4.377,1206 2.85,1207 2.899,1208 2.957,1209 2.805,1210 2.733,1211 4.144,1212 2.735,1213 0.142,1214 0.114,1215 0.215,1216 0.131,1217 0.101,1218 4.695,1219 0.139,1220 3.752,1221 0.036,1222 7.084,1223 0.372,1224 4.307,1225 0.098,1226 3.339,1227 4.578,1228 1.2,1229 12.276,1230 3.234,1231 2.076,1232 2.056,1233 2.129,1234 2.161,1235 1.288,1236 2.152,1237 1.863,1238 1.84,1239 1.942,1240 1.969,1241 1.045,1242 1.96,1243 1.686,1244 1.662,1245 1.794,1246 1.819,1247 0.897,1248 1.806,1249 1.494,1250 1.426,1251 1.717,1252 1.767,1253 0.762,1254 1.754,1255 1.369,1256 1.308,1257 1.506,1258 1.533,1259 0.573,1260 1.523,1261 1.107,1262 1.068,1263 1.286,1264 1.296,1265 0.331,1266 1.29,1267 0.994,1268 0.947,1269 1.174,1270 1.166,1271 0.227,1272 1.168,1273 0.862,1274 0.805,1275 1.115,1276 1.068,1277 0.162,1278 1.081,1279 4.205,1281 5.572,1282 2.398,1283 7.14,1284 4.595,1285 8.803,1286 6.555,1287 10.52,1289 1.836,1291 27.331,1300 1.384,1305 30.728,1306 71.919,1307 160.256,1308 205.065,1309 226.574,1310 228.574,1311 228.574,1312 55.027,1313 8.333,1314 52.71,1315 52.71,1316 29,1317 12.921,1318 4.644,1319 3.807,1320 39.279,1321 97,1322 113,1323 0.195,1324 183.276,1325 317.01,1326 438.953,1327 48786,1328 4.7,1329 20.121,1330 0.694,1331 0.528,1332 18.38,1333 15.304,1334 14.008,1335 0.424,1336 0.27,1337 8.753,1338 13.385,1339 8.576,1340 7.064,1341 13.204,1342 8.901,1343 13.25,1344 0.27,1345 0.139,1346 12.12,1347 6.802,1348 11.715,1349 0.17,1350 0.071,1351 10.726,1352 4.917,1353 9.912,1354 0.103,1355 0.037,1356 9.493,1357 3.542,1358 8.618,1359 0.065,1360 0.019,1361 8.239,1362 2.536,1363 0.295,1364 88.463,1365 0.212,1366 26.738,1367 0.573,1368 164,1369 596.538,1370 182.147,1371 530.191,1372 718.39,1373 494,1374 200,1375 533.103,1376 219.086,1377 529.068,1378 780.14,1379 498,1380 6}
{0 CHEMBL1765712,1 1.634,2 11.639,3 6.074,4 36.891,5 127.417,6 9.519,7 0.683,8 4.084,9 4.167,10 3.852,11 3.733,12 5.366,13 3.751,14 4.603,15 4.708,16 4.327,17 4.137,18 6.281,19 4.157,20 4.84,21 4.981,22 4.397,23 4.295,24 6.162,25 4.3,26 4.936,27 5.099,28 4.423,29 4.302,30 6.3,31 4.307,32 4.964,33 5.121,34 4.493,35 4.316,36 6.587,37 4.327,38 4.943,39 5.089,40 4.449,41 4.284,42 6.563,43 4.296,44 4.906,45 5.072,46 4.372,47 4.205,48 6.417,49 4.217,50 4.851,51 5.048,52 4.2,53 4.04,54 6.338,55 4.047,56 0.18,57 0.976,58 4.762,59 4.22,60 32.915,61 4.037,62 0.857,63 2.01,64 10.264,65 7.151,66 139.432,67 6.589,68 0.587,69 1.998,70 15.92,71 9.514,72 86.388,73 9.567,74 0.913,75 2.298,76 20.179,77 10.373,78 112.959,79 10.113,80 1.293,81 2.672,82 22.326,83 11.524,84 215.471,85 11.491,86 1.147,87 2.227,88 20.869,89 11.244,90 212.354,91 11.002,92 0.892,93 2.299,94 20.521,95 10.926,96 134.291,97 11.006,98 1.082,99 2.253,100 24.121,101 10.729,102 160,103 10.813,104 27,105 62,106 0.265,107 0.544,108 0.732,109 0.872,110 0.904,111 0.904,112 3.617,113 0.802,114 -6.04,115 -5.89,116 -5.48,119 54.9,132 1,135 2,142 11,143 6,144 3,145 2,146 2,158 1,172 15,174 1,175 12,183 17,187 12,195 16,198 1,199 11,207 18,212 8,220 22,223 1,224 6,232 20,236 2,237 7,245 18,250 4,258 11,262 1,263 8,271 8,275 2354,276 24.143,277 24.143,278 24.143,279 24.143,280 24.143,281 20.755,282 15.549,283 13.74,284 24.629,285 20.263,286 20.263,287 20.263,288 20.263,289 20.263,290 14.983,291 20.445,292 6.539,293 21.158,294 4.039,295 2.317,296 1.153,297 0.289,298 0.093,299 0.093,300 4.333,305 1,306 933,307 3.536,311 465.859,315 370.924,318 1.659,319 64.726,322 0.75,323 0.5,324 1,325 0.4,327 1,328 1,329 0.66,330 80.5,331 419,332 4.728,333 4.474,334 7.34,335 4.387,336 3.461,337 4.585,338 3.825,339 12.87,340 3.266,341 4.539,342 3.746,343 7.011,344 4.176,345 3.248,346 4.348,347 1.2,348 11.765,349 3.025,350 4.427,351 3.14,352 6.341,353 3.971,354 2.99,355 4.094,356 0.293,357 9.678,358 2.918,359 4.121,360 2.972,361 6.222,362 3.734,363 2.771,364 3.62,366 9.208,367 2.669,368 3.899,369 2.934,370 5.968,371 3.518,372 2.55,373 3.331,375 8.426,376 2.459,377 3.745,378 2.667,379 5.65,380 3.324,381 2.385,382 3.039,384 7.379,385 2.191,386 3.562,387 2.533,388 5.314,389 3.165,390 2.188,391 2.883,393 6.501,394 2.113,395 3.356,396 2.277,397 4.935,398 2.907,399 1.916,400 2.613,402 5.496,403 1.869,404 3.187,405 1.862,406 4.824,407 2.702,408 1.746,409 2.462,411 5.12,412 1.658,413 3.118,414 1.618,415 4.495,416 2.587,417 1.618,418 2.427,420 4.504,421 1.57,422 3.046,423 1.569,424 4.337,425 2.55,426 1.558,427 2.298,428 4.083,429 1.54,430 2.808,431 1.448,432 4.24,433 2.303,434 1.312,435 1.954,436 3.399,437 1.299,438 2.604,439 1.309,440 3.961,441 2.139,442 1.184,443 1.625,445 2.954,446 1.11,447 2.554,448 1.163,449 3.609,450 2.044,451 1.062,452 1.487,454 2.828,455 1.039,456 2.362,457 0.965,458 3.414,459 1.796,460 0.83,461 1.238,463 1.965,464 0.799,465 16.676,466 0.463,467 1.138,468 0.032,469 53,470 1.472,471 29.5,472 0.819,473 23.5,474 0.653,475 27.782,476 0.772,477 36.124,478 0.708,479 48.417,480 1.345,481 10.709,482 0.297,483 6.583,484 0.183,485 0.089,486 0.03,487 0.384,490 3,491 1,493 0.519,494 0.825,495 0.533,496 0.852,497 0.549,498 0.764,499 0.445,500 0.748,501 0.637,502 0.878,503 0.414,504 0.867,505 0.698,506 0.89,507 0.819,508 0.981,509 0.638,510 0.967,511 0.846,512 0.817,513 0.981,514 0.922,515 0.866,516 0.974,517 0.767,518 0.813,519 0.842,520 0.947,521 0.797,522 0.94,523 0.866,524 0.967,525 0.927,526 1.017,527 0.901,528 1.019,529 0.954,530 1.118,531 0.968,532 1.124,533 0.919,534 1.087,535 1.224,536 1.101,537 1.156,538 1.031,539 1.233,540 1.048,541 8,542 0.264,543 4.889,544 2.688,545 3.169,546 1.958,547 1.198,548 0.892,549 0.607,550 0.385,551 18243,552 62298,553 2.144,554 29.4,556 13,558 2,564 1.78,565 1.991,566 3.475,567 -0.772,573 83.33,574 1.634,575 3.355,576 4.519,577 5.383,578 5.579,579 5.579,580 2.899,581 4.684,582 5.142,583 3.629,584 2286.02,585 9.075,586 34039.9,591 289.294,592 1.581,593 5.092,594 0.195,595 0.008,596 0.079,597 0.04,598 0.047,599 0.028,600 0.018,601 0.015,602 0.012,603 0.009,604 0.45,605 0.5,606 0.63,607 0.683,608 191.525,609 -0.015,610 -0.046,611 0.027,612 -0.008,613 -0.073,614 0.016,615 0.305,616 0.176,617 0.045,618 -0.001,619 0.308,620 -0.072,621 -0.058,622 -0.107,623 -0.024,624 -0.083,625 -0.022,626 -0.053,627 -0.035,628 0.062,629 -0.087,630 0.001,631 -0.083,632 -0.039,633 0.172,634 0.125,635 0.103,636 0.027,637 0.162,638 0.029,639 0.079,640 -0.076,641 0.006,642 -0.049,643 0.098,644 -0.061,645 -0.015,646 -0.159,647 0.008,648 -0.148,649 0.012,650 -0.099,651 -0.088,652 -0.021,653 -0.034,654 -0.002,655 -0.108,656 0.003,657 6.121,658 6.014,659 0.833,660 33.432,661 1.034,662 1.125,663 4.812,664 23.157,665 0.732,666 3.738,667 4.143,668 4.466,669 4.812,670 5.17,671 5.313,672 5.521,673 5.704,674 5.919,675 6.043,676 6.786,677 0.736,678 485.46,679 3.738,680 5.333,681 6.221,682 7.146,683 8.056,684 8.985,685 9.904,686 10.833,687 11.757,688 12.687,689 5.9,696 1,699 2,703 4,704 13,705 2,709 7,711 28,730 1,731 51,733 30,734 3,735 41,737 56,738 28,739 24,740 8,741 10,742 3,746 6,747 10,752 1,757 1,761 27,762 1,766 2,771 1,773 2,775 1,779 4,781 15,782 8,784 8,790 3,794 0.5,795 1,805 2,812 6,816 3,827 1,831 2,840 3,846 4,848 36,859 1,860 1,869 4,870 2,873 1,877 18.083,878 9.588,879 7.5,880 3.005,881 6.012,882 1.648,883 1.083,884 4.964,885 15.286,886 4.06,887 4.758,888 5.436,889 6.107,890 6.795,891 7.222,892 7.759,893 8.289,894 8.846,895 9.257,896 0.875,897 68,898 14.182,900 7.148,901 8.229,902 24.45,904 20.926,905 2.729,906 98.25,910 176.567,911 190.561,912 36.695,914 25.145,915 59.84,917 190.561,918 201.711,919 96.536,921 3.124,922 123.191,923 86.963,924 99.786,925 14.96,926 153.024,927 7.76,928 176.567,929 227.257,930 84.985,933 191.527,934 70.025,937 33.267,938 141.466,939 52.524,941 236.407,942 61.84,943 190.561,946 184.326,947 41.516,948 144.41,950 118.556,951 176.567,952 121.681,953 190.561,955 0.603,956 0.353,957 0.199,958 0.123,959 34,960 15,961 0.036,962 2,963 3,964 1.2,965 4.385,966 389.829,967 0.2,968 30,969 181.362,974 22.098,975 8.086,976 3.766,977 2.742,978 121.681,979 20.486,980 8.925,984 -0.463,987 488.809,988 57,993 13.014,995 2.693,997 -0.676,999 52.752,1000 57.385,1001 0.288,1002 0.592,1003 0.797,1004 0.949,1005 0.984,1006 0.984,1007 5.333,1008 1.916,1009 6.26,1010 6.501,1011 4.828,1012 5.447,1013 3.166,1014 7.166,1015 4.748,1016 6.595,1017 1.746,1018 7.88,1019 5.496,1020 4.635,1021 5.387,1022 3.911,1023 8.349,1024 4.437,1025 7.944,1026 1.618,1027 9.608,1028 5.12,1029 6.547,1030 7.762,1031 5.436,1032 11.455,1033 6.374,1034 9.328,1035 1.558,1036 11.399,1037 4.504,1038 7.14,1039 8.49,1040 6.691,1041 13.443,1042 6.849,1043 10.742,1044 1.312,1045 13.232,1046 4.083,1047 8.582,1048 10.363,1049 8.059,1050 16.134,1051 8.293,1052 12.177,1053 1.184,1054 15.093,1055 3.399,1056 9.518,1057 11.475,1058 9.389,1059 18.442,1060 9.128,1061 13.631,1062 1.062,1063 16.976,1064 2.954,1065 10.794,1066 13.132,1067 10.734,1068 21.009,1069 10.38,1070 3.461,1071 0.83,1072 18.875,1073 2.828,1074 11.883,1075 14.438,1076 12.074,1077 23.446,1078 11.384,1079 3.248,1080 12.87,1081 20.787,1082 1.965,1083 13.103,1084 15.999,1085 13.417,1086 25.98,1087 12.562,1088 2.99,1089 11.765,1090 22.709,1091 4.585,1092 14.258,1093 17.401,1094 14.758,1095 28.471,1096 13.643,1097 2.771,1098 9.678,1099 24.641,1100 4.348,1101 15.465,1102 18.922,1103 16.1,1104 30.999,1105 14.797,1106 2.55,1107 9.208,1108 26.579,1109 4.094,1110 16.65,1111 20.372,1112 17.441,1113 33.514,1114 15.915,1115 2.385,1116 8.426,1117 28.524,1118 3.62,1119 17.857,1120 21.877,1121 18.783,1122 36.044,1123 17.064,1124 2.188,1125 7.379,1126 30.474,1127 3.331,1128 19.058,1129 23.351,1130 20.124,1131 38.572,1132 18.201,1133 16819,1134 31368,1135 27.452,1136 37.313,1137 64.654,1138 64.852,1139 64.998,1140 63.656,1141 63.343,1142 86.533,1143 10.636,1144 196.411,1145 60.705,1146 5.56,1147 6.474,1148 7.027,1149 5.43,1150 5.461,1151 7.585,1152 5.335,1153 20.829,1154 5.266,1155 17.693,1156 1.577,1157 1.582,1158 1.585,1159 1.553,1160 1.545,1161 2.111,1162 0.259,1163 4.791,1164 1.481,1165 4.159,1166 4.183,1167 4.131,1168 4.093,1169 8.513,1170 4.099,1171 4.026,1172 4.053,1173 3.992,1174 3.953,1175 8.201,1176 3.959,1177 3.918,1178 3.943,1179 3.892,1180 3.837,1181 7.999,1182 3.844,1183 3.681,1184 3.706,1185 3.631,1186 3.601,1187 7.999,1188 3.603,1189 3.441,1190 3.479,1191 3.378,1192 3.34,1193 7.429,1194 3.342,1195 3.326,1196 3.37,1197 3.35,1198 3.052,1199 5.039,1200 3.076,1201 3.207,1202 3.25,1203 3.14,1204 3.014,1205 4.933,1206 3.062,1207 3.025,1208 3.078,1209 2.956,1210 2.889,1211 4.573,1212 2.897,1213 0.115,1214 0.109,1215 0.179,1216 0.107,1217 0.084,1218 4.728,1219 0.112,1220 4.474,1221 0.093,1222 7.34,1223 0.314,1224 4.387,1225 0.08,1226 3.461,1227 4.585,1228 3.825,1229 12.87,1230 3.266,1231 2.103,1232 2.083,1233 2.162,1234 2.181,1235 1.31,1236 2.176,1237 2.004,1238 1.981,1239 2.075,1240 2.095,1241 1.194,1242 2.09,1243 1.879,1244 1.858,1245 1.953,1246 1.98,1247 1.081,1248 1.97,1249 1.664,1250 1.64,1251 1.777,1252 1.769,1253 0.87,1254 1.77,1255 1.422,1256 1.388,1257 1.567,1258 1.554,1259 0.629,1260 1.559,1261 1.151,1262 1.113,1263 1.313,1264 1.441,1265 0.351,1266 1.339,1267 1.095,1268 1.061,1269 1.209,1270 1.341,1271 0.265,1272 1.33,1273 0.993,1274 0.944,1275 1.206,1276 1.163,1277 0.249,1278 1.176,1279 4.419,1281 5.802,1283 7.39,1285 9.072,1287 10.805,1291 55.424,1300 0.976,1301 -4.871,1305 37.527,1306 83.33,1307 171.127,1308 230.485,1309 274.539,1310 284.539,1311 284.539,1312 83.768,1313 9.274,1314 47.78,1315 47.78,1316 36,1317 13.19,1318 4.954,1319 4.087,1320 48.72,1321 143,1322 168,1323 0.163,1324 220.257,1325 390.77,1326 529.186,1327 161766,1328 7.8,1329 25.026,1330 0.695,1331 0.512,1332 21.656,1333 18.422,1334 17.292,1335 0.422,1336 0.267,1337 10.793,1338 16.592,1339 10.651,1340 8.708,1341 15.687,1342 10.963,1343 16.976,1344 0.274,1345 0.135,1346 14.347,1347 8.377,1348 14.15,1349 0.165,1350 0.071,1351 13.049,1352 6.146,1353 12.422,1354 0.102,1355 0.037,1356 11.478,1357 4.489,1358 11.478,1359 0.066,1360 0.019,1361 10.403,1362 3.33,1363 0.25,1364 108.853,1365 0.191,1366 32.089,1367 0.47,1368 206,1369 825.115,1370 235.584,1371 699.861,1372 933.33,1373 650,1374 251,1375 674.125,1376 274.206,1377 661.401,1378 999.5,1379 624,1380 5.903}
{0 CHEMBL1765713,1 1.755,2 10.063,3 4.537,4 20.588,5 112.08,6 9.531,7 0.611,8 3.988,9 4.083,10 3.75,11 3.568,12 5.28,13 3.601,14 4.518,15 4.646,16 4.229,17 3.968,18 6.227,19 4.008,20 4.703,21 4.846,22 4.257,23 4.12,24 6.055,25 4.138,26 4.824,27 4.986,28 4.328,29 4.157,30 6.215,31 4.175,32 4.869,33 5.027,34 4.42,35 4.178,36 6.538,37 4.209,38 4.854,39 4.998,40 4.364,41 4.144,42 6.517,43 4.172,44 4.825,45 5.009,46 4.266,47 4.032,48 6.358,49 4.057,50 4.716,51 4.921,52 4.052,53 3.795,54 6.257,55 3.83,56 0.238,57 0.997,58 4.505,59 3.947,60 35.851,61 3.72,62 0.95,63 1.962,64 11.236,65 6.466,66 145.03,67 5.977,68 0.677,69 1.878,70 13.754,71 8.189,72 89.056,73 7.824,74 0.97,75 2.139,76 18.339,77 9.42,78 120.29,79 9.273,80 1.384,81 2.548,82 20.682,83 10.302,84 220.852,85 10.011,86 1.238,87 2.139,88 18.758,89 10.121,90 214.278,91 9.538,92 1.052,93 2.186,94 20.923,95 10.137,96 148.815,97 10.439,98 1.17,99 1.984,100 21.89,101 8.97,102 166.051,103 8.857,104 38,105 55,106 0.294,107 0.656,108 0.819,109 0.89,110 0.89,111 0.89,112 3.504,113 0.794,114 -5.28,115 -5.17,116 -4.83,119 50,124 1,132 1,135 2,142 6,143 5,144 3,145 2,146 1,151 1,158 1,166 1,172 9,174 1,175 11,183 10,187 10,195 8,198 1,199 12,207 10,212 10,220 15,223 1,224 4,232 12,236 4,237 6,245 10,250 2,258 4,262 2,263 6,275 1704,276 21.074,277 21.074,278 21.074,279 21.074,280 21.074,281 18.306,282 18.712,283 11.881,284 21.585,285 17.775,286 17.775,287 17.775,288 17.775,289 17.775,290 13.416,291 22.945,292 5.659,293 18.717,294 3.768,295 1.605,296 0.631,297 0.207,298 0.207,299 0.207,300 4.206,304 1,305 1,306 703,307 3.464,310 70.598,311 268.093,315 205.578,318 1.387,319 62.65,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 73,331 322,332 4.728,333 4.474,334 7.34,335 4.387,336 3.461,337 4.582,338 3.825,339 12.87,340 3.266,341 4.535,342 3.746,343 7.011,344 4.175,345 3.248,346 4.099,347 1.2,348 11.765,349 3.014,350 4.258,351 3.137,352 6.319,353 3.891,354 2.918,355 3.874,356 0.293,357 9.536,358 2.83,359 4.023,360 2.951,361 6.11,362 3.631,363 2.681,364 3.472,366 8.867,367 2.539,368 3.759,369 2.869,370 5.66,371 3.347,372 2.413,373 3.041,375 7.42,376 2.226,377 3.622,378 2.592,379 5.315,380 3.213,381 2.248,382 2.994,384 6.506,385 2.128,386 3.485,387 2.38,388 5.047,389 3.073,390 2.107,391 2.816,393 6.036,394 2.029,395 3.355,396 2.172,397 4.935,398 2.905,399 1.914,400 2.609,402 5.496,403 1.868,404 3.169,405 1.86,406 4.821,407 2.696,408 1.739,409 2.42,411 5.1,412 1.653,413 2.731,414 1.459,415 4.284,416 2.262,417 1.287,418 1.816,420 3.618,421 1.253,422 2.602,423 1.321,424 4.134,425 2.138,426 1.182,427 1.625,428 3.335,429 1.109,430 2.552,431 1.163,432 3.953,433 2.044,434 1.061,435 1.487,436 2.827,437 1.039,438 2.352,439 0.963,440 3.413,441 1.787,442 0.825,443 1.225,445 1.954,446 0.79,447 2.174,448 0.77,449 3.269,450 1.617,451 0.674,452 1.007,454 1.655,455 0.634,456 1.747,457 0.669,458 3.083,459 1.194,460 0.198,461 0.28,463 0.488,464 0.193,465 14.576,466 0.456,467 1.125,468 0.035,469 44.75,470 1.398,471 23.5,472 0.734,473 21.25,474 0.664,475 24.985,476 0.781,477 33.424,478 0.727,479 41.039,480 1.282,481 9.159,482 0.286,483 6.06,484 0.189,485 0.136,486 0.034,487 0.398,490 3,491 1,493 0.534,494 0.891,495 0.532,496 0.936,497 0.556,498 0.819,499 0.502,500 0.746,501 0.6,502 0.79,503 0.411,504 0.756,505 0.758,506 0.9,507 0.862,508 0.988,509 0.684,510 0.979,511 0.837,512 0.853,513 0.916,514 0.958,515 0.873,516 0.973,517 0.787,518 0.837,519 0.798,520 0.943,521 0.802,522 0.904,523 0.884,524 1.02,525 0.938,526 1.083,527 0.913,528 1.071,529 0.934,530 1.109,531 0.916,532 1.126,533 0.911,534 1.067,535 1.296,536 1.204,537 1.179,538 1.106,539 1.302,540 1.09,541 8,542 0.185,543 4.444,544 2.722,545 2.863,546 1.83,547 1.164,548 0.865,549 0.536,550 0.343,551 12213,552 45232,553 2.089,554 30.4,556 11,557 1,558 2,564 1.754,565 1.91,566 3.274,567 -0.712,573 80.739,574 1.755,575 3.919,576 4.893,577 5.317,578 5.317,579 5.317,580 2.679,581 4.664,582 4.972,583 3.408,584 1690.43,585 8.75,586 22995.8,588 1,591 254.084,592 1.668,593 4.905,594 0.222,595 0.009,596 0.081,597 0.047,598 0.048,599 0.029,600 0.019,601 0.016,602 0.013,603 0.012,604 0.496,605 0.5,606 0.88,607 0.765,608 162.63,609 -0.008,610 -0.059,611 0.033,612 -0.039,613 -0.073,614 -0.006,615 0.264,616 0.202,617 0.122,618 0.122,619 0.317,620 0.08,621 -0.099,622 -0.08,623 -0.101,624 -0.068,625 -0.048,626 -0.07,627 -0.032,628 0.034,629 -0.049,630 -0.011,631 -0.082,632 -0.029,633 0.147,634 0.116,635 0.117,636 0.04,637 0.157,638 0.057,639 0.05,640 -0.115,641 -0.043,642 -0.109,643 0.078,644 -0.127,646 -0.167,647 0.086,648 -0.141,649 0.017,650 -0.051,651 -0.127,652 -0.115,653 -0.055,654 -0.09,655 -0.131,656 -0.059,657 6.108,658 5.868,659 0.781,660 25.656,661 1.043,662 1.141,663 4.051,664 16.413,665 0.708,666 3.611,667 4.025,668 4.331,669 4.682,670 5.011,671 5.165,672 5.366,673 5.545,674 5.74,675 5.826,676 5.969,677 0.718,678 438.41,679 3.611,680 5.209,681 6.094,682 7.024,683 7.933,684 8.866,685 9.786,686 10.719,687 11.645,688 12.579,689 8.7,696 1,697 1,699 2,703 2,704 9,705 2,709 7,710 1,711 22,730 1,731 46,733 24,734 2,735 36,737 50,738 23,739 18,740 6,741 6,742 3,746 5,747 8,752 1,757 1,761 21,762 2,766 2,771 1,773 2,775 1,778 1,779 4,781 14,782 8,784 9,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,844 1,846 4,848 32,859 1,860 1,869 4,870 2.2,873 1,877 16.75,878 8.955,879 6.639,880 2.616,881 4.57,882 1.534,883 1.054,884 4.561,885 13.13,886 3.912,887 4.598,888 5.248,889 5.91,890 6.538,891 6.983,892 7.508,893 8.026,894 8.543,895 8.899,896 0.857,897 58,898 12.671,900 6.419,901 8.341,902 21.487,904 18.144,905 2.841,906 90.917,909 1,910 164.795,911 155.907,912 38.349,914 25.145,915 59.84,917 155.907,918 189.94,919 98.19,920 8.396,921 3.124,922 84.857,923 86.84,924 96.846,925 26.731,926 129.482,927 7.76,928 164.795,929 194.256,930 84.985,933 179.756,934 70.025,937 32.899,938 108.956,939 52.401,941 224.636,942 63.494,943 155.907,946 172.555,947 36.799,948 116.25,950 118.434,951 164.795,952 123.335,953 155.907,955 0.607,956 0.35,957 0.196,958 0.12,959 30,960 14,961 0.04,962 2,963 2,964 1.16,965 4.003,966 329.193,967 0.16,968 25,969 155.245,974 20.264,975 7.202,976 3.458,977 0.985,978 121.558,979 12.532,980 8.528,984 -0.441,985 1.63,987 444.037,988 49,993 12.868,995 2.679,997 -0.672,999 47.971,1000 52.468,1001 0.318,1002 0.709,1003 0.886,1004 0.963,1005 0.963,1006 0.963,1007 5.196,1008 1.914,1009 6.146,1010 6.036,1011 4.71,1012 5.286,1013 3.166,1014 7.06,1015 4.615,1016 6.462,1017 1.739,1018 7.774,1019 5.496,1020 4.575,1021 5.255,1022 3.911,1023 8.269,1024 4.357,1025 7.813,1026 1.287,1027 9.508,1028 5.1,1029 6.441,1030 7.574,1031 5.436,1032 11.371,1033 6.242,1034 9.199,1035 1.182,1036 11.305,1037 3.618,1038 7.074,1039 8.318,1040 6.691,1041 13.38,1042 6.753,1043 10.614,1044 1.061,1045 13.143,1046 3.335,1047 8.491,1048 10.146,1049 8.059,1050 16.076,1051 8.166,1052 12.05,1053 0.825,1054 15.009,1055 2.827,1056 9.451,1057 11.264,1058 9.389,1059 18.398,1060 9.024,1061 13.503,1062 0.674,1063 16.898,1064 1.954,1065 10.718,1066 12.89,1067 10.734,1068 20.972,1069 10.261,1070 3.461,1071 0.198,1072 18.802,1073 1.655,1074 11.82,1075 14.197,1076 12.074,1077 23.418,1078 11.279,1079 3.248,1080 12.87,1081 20.72,1082 0.488,1083 13.04,1084 15.74,1085 13.417,1086 25.958,1087 12.453,1088 2.918,1089 11.765,1090 22.649,1091 4.582,1092 14.204,1093 17.142,1094 14.758,1095 28.454,1096 13.544,1097 2.681,1098 9.536,1099 24.586,1100 4.099,1101 15.413,1102 18.653,1103 16.1,1104 30.986,1105 14.699,1106 2.413,1107 8.867,1108 26.53,1109 3.874,1110 16.605,1111 20.103,1112 17.441,1113 33.504,1114 15.824,1115 2.248,1116 7.42,1117 28.48,1118 3.472,1119 17.815,1120 21.604,1121 18.783,1122 36.037,1123 16.976,1124 2.107,1125 6.506,1126 30.435,1127 3.041,1128 19.021,1129 23.081,1130 20.124,1131 38.566,1132 18.119,1133 11575,1134 22502,1135 23.581,1136 32.557,1137 57.352,1138 57.066,1139 57.718,1140 56.221,1141 55.914,1142 74.691,1143 10.636,1144 174.951,1145 53.142,1146 5.56,1147 6.474,1148 6.716,1149 5.43,1150 5.461,1151 7.582,1152 5.335,1153 20.829,1154 5.266,1155 17.937,1156 1.593,1157 1.585,1158 1.603,1159 1.562,1160 1.553,1161 2.075,1162 0.295,1163 4.86,1164 1.476,1165 4.145,1166 4.172,1167 4.119,1168 4.069,1169 8.513,1170 4.077,1171 3.949,1172 3.988,1173 3.92,1174 3.85,1175 8.201,1176 3.86,1177 3.869,1178 3.914,1179 3.832,1180 3.72,1181 7.999,1182 3.739,1183 3.636,1184 3.668,1185 3.583,1186 3.508,1187 7.999,1188 3.52,1189 3.326,1190 3.37,1191 3.35,1192 3.093,1193 7.429,1194 3.113,1195 3.27,1196 3.317,1197 3.209,1198 3.015,1199 5.028,1200 3.072,1201 3.047,1202 3.126,1203 2.961,1204 2.891,1205 4.901,1206 2.897,1207 3.017,1208 3.073,1209 2.871,1210 2.855,1211 4.57,1212 2.848,1213 0.131,1214 0.124,1215 0.204,1216 0.122,1217 0.096,1218 4.728,1219 0.127,1220 4.474,1221 0.106,1222 7.34,1223 0.358,1224 4.387,1225 0.091,1226 3.461,1227 4.582,1228 3.825,1229 12.87,1230 3.266,1231 2.077,1232 2.057,1233 2.129,1234 2.163,1235 1.291,1236 2.153,1237 1.887,1238 1.866,1239 1.959,1240 1.99,1241 1.092,1242 1.978,1243 1.69,1244 1.666,1245 1.798,1246 1.821,1247 0.906,1248 1.809,1249 1.494,1250 1.426,1251 1.717,1252 1.769,1253 0.763,1254 1.756,1255 1.369,1256 1.309,1257 1.506,1258 1.533,1259 0.573,1260 1.523,1261 1.109,1262 1.071,1263 1.286,1264 1.441,1265 0.331,1266 1.338,1267 1.094,1268 1.058,1269 1.206,1270 1.295,1271 0.265,1272 1.29,1273 0.992,1274 0.944,1275 1.173,1276 1.162,1277 0.228,1278 1.169,1279 4.29,1281 5.68,1282 2.398,1283 7.261,1284 4.595,1285 8.934,1286 6.555,1287 10.663,1289 1.77,1291 54.93,1300 0.967,1301 -4.858,1305 33.021,1306 80.739,1307 180.256,1308 225.064,1309 244.574,1310 244.574,1311 244.574,1312 79.039,1313 8.56,1314 52.71,1315 52.71,1316 29,1317 13.08,1318 4.644,1319 3.807,1320 45.25,1321 111,1322 134,1323 0.197,1324 195.265,1325 346.45,1326 468.206,1327 64635,1328 8.7,1329 22.621,1330 0.707,1331 0.517,1332 19.25,1333 16.56,1334 15.219,1335 0.423,1336 0.265,1337 9.33,1338 14.405,1339 9.183,1340 7.523,1341 13.614,1342 9.529,1343 15.277,1344 0.278,1345 0.134,1346 12.648,1347 7.363,1348 12.305,1349 0.164,1350 0.07,1351 11.204,1352 5.26,1353 10.763,1354 0.101,1355 0.036,1356 9.819,1357 3.831,1358 9.64,1359 0.065,1360 0.018,1361 8.564,1362 2.755,1363 0.297,1364 97.115,1365 0.206,1366 28.838,1367 0.585,1368 182,1369 786.76,1370 213.333,1371 656.485,1372 866.97,1373 608,1374 221,1375 623.77,1376 246.316,1377 607.04,1378 914.49,1379 570,1380 5.903}
{0 CHEMBL1765714,1 1.772,2 9.355,3 4.332,4 18.762,5 107.183,6 9.869,7 0.629,8 3.933,9 4.024,10 3.719,11 3.524,12 5.254,13 3.563,14 4.45,15 4.56,16 4.195,17 3.926,18 6.203,19 3.969,20 4.644,21 4.784,22 4.222,23 4.065,24 6.011,25 4.088,26 4.754,27 4.907,28 4.308,29 4.099,30 6.185,31 4.133,32 4.825,33 4.976,34 4.395,35 4.134,36 6.524,37 4.172,38 4.807,39 4.954,40 4.332,41 4.079,42 6.494,43 4.117,44 4.732,45 4.901,46 4.231,47 3.946,48 6.326,49 3.992,50 4.637,51 4.838,52 3.988,53 3.698,54 6.226,55 3.747,56 0.263,57 0.958,58 3.582,59 3.566,60 39.985,61 3.113,62 0.927,63 1.898,64 8.048,65 5.972,66 145.43,67 5.001,68 0.716,69 1.795,70 11.932,71 7.76,72 100.612,73 7.246,74 0.994,75 2.054,76 15.174,77 8.48,78 129.725,79 7.71,80 1.42,81 2.486,82 17.672,83 9.66,84 227.49,85 8.857,86 1.31,87 2.053,88 17.578,89 9.553,90 229.07,91 8.83,92 1.061,93 2.078,94 16.433,95 8.917,96 153.519,97 8.451,98 1.21,99 1.881,100 19.165,101 8.162,102 171.852,103 7.512,104 27,105 53,106 0.3,107 0.647,108 0.823,109 0.9,110 0.9,111 0.9,112 3.473,113 0.783,114 -5.07,115 -4.97,116 -4.66,119 51.2,132 1,135 2,142 6,143 5,144 3,145 2,146 1,151 1,158 1,168 1,172 9,174 1,175 10,180 1,183 10,187 9,192 1,195 8,198 1,199 10,204 2,207 10,212 8,217 2,220 15,223 1,224 4,232 12,236 2,237 5,240 2,242 1,245 10,250 1,255 1,258 4,262 1,263 3,266 1,268 3,275 1542,276 20.626,277 20.626,278 20.626,279 20.626,280 20.626,281 17.884,282 15.549,283 11.744,284 21.116,285 17.292,286 17.292,287 17.292,288 17.292,289 17.292,290 13.005,291 20.445,292 5.581,293 18.186,294 3.654,295 1.606,296 0.564,297 0.111,298 0.111,299 0.111,300 4.177,304 1,305 1,306 636,307 3.391,310 67.298,311 256.177,315 195.876,318 1.357,319 62.159,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 71,331 290,332 4.728,333 4.474,334 7.34,335 4.387,336 3.461,337 4.581,338 3.825,339 12.87,340 3.265,341 4.534,342 3.746,343 7.011,344 4.174,345 3.247,346 4.097,347 1.2,348 11.765,349 3.012,350 4.211,351 3.134,352 6.313,353 3.859,354 2.884,355 3.776,356 0.293,357 9.496,358 2.803,359 3.985,360 2.948,361 6.083,362 3.6,363 2.645,364 3.43,366 8.766,367 2.516,368 3.752,369 2.806,370 5.655,371 3.334,372 2.399,373 3.039,375 7.396,376 2.202,377 3.578,378 2.572,379 5.314,380 3.178,381 2.203,382 2.91,384 6.502,385 2.117,386 3.356,387 2.309,388 4.935,389 2.908,390 1.919,391 2.642,393 5.496,394 1.871,395 3.272,396 1.869,397 4.824,398 2.755,399 1.793,400 2.589,402 5.129,403 1.721,404 3.145,405 1.763,406 4.489,407 2.678,408 1.711,409 2.391,411 4.542,412 1.642,413 2.608,414 1.449,415 4.256,416 2.14,417 1.187,418 1.625,420 3.412,421 1.111,422 2.558,423 1.164,424 3.964,425 2.044,426 1.063,427 1.488,428 2.84,429 1.04,430 2.451,431 1.017,432 3.422,433 1.944,434 0.969,435 1.417,436 2.213,437 0.943,438 2.272,439 0.886,440 3.295,441 1.719,442 0.741,443 1.113,445 1.804,446 0.722,447 2.118,448 0.705,449 3.076,450 1.547,451 0.618,452 0.927,454 1.372,455 0.572,456 1.745,457 0.618,458 3,459 1.192,460 0.197,461 0.278,463 0.485,464 0.191,465 14.076,466 0.454,467 1.018,468 0.033,469 44,470 1.419,471 23.5,472 0.758,473 20.5,474 0.661,475 23.348,476 0.753,477 32.124,478 0.747,479 39.384,480 1.27,481 9.043,482 0.292,483 5.783,484 0.187,485 0.105,486 0.036,487 0.384,490 3,491 1,493 0.549,494 0.83,495 0.524,496 0.859,497 0.56,498 0.758,499 0.485,500 0.756,501 0.627,502 0.866,503 0.427,504 0.85,505 0.736,506 0.894,507 0.835,508 1.003,509 0.676,510 0.992,511 0.864,512 0.843,513 0.928,514 0.928,515 0.897,516 0.95,517 0.792,518 0.835,519 0.852,520 0.981,521 0.809,522 0.97,523 0.887,524 0.987,525 0.928,526 1.036,527 0.912,528 1.033,529 0.993,530 1.147,531 0.972,532 1.164,533 0.963,534 1.113,535 1.367,536 1.194,537 1.293,538 1.099,539 1.365,540 1.123,541 7,542 0.14,543 4.222,544 2.403,545 2.703,546 1.75,547 1.129,548 0.787,549 0.471,550 0.259,551 11210,552 43193,553 2.112,554 27.9,556 8,557 1,558 2,559 1,564 1.747,565 1.948,566 3.2,567 -0.297,569 1,573 76.202,574 1.772,575 3.82,576 4.862,577 5.316,578 5.316,579 5.316,580 2.638,581 4.543,582 4.928,583 3.338,584 1552.06,585 8.663,586 20644.7,588 1,590 1,591 233.329,592 1.633,593 4.868,594 0.2,595 0.009,596 0.08,597 0.043,598 0.046,599 0.028,600 0.019,601 0.015,602 0.012,603 0.01,604 0.463,605 0.33,606 0.88,607 0.744,608 155.515,609 -0.02,610 -0.016,611 0.016,612 0.013,613 -0.072,614 0.029,615 0.273,616 0.19,617 0.041,618 0.038,619 0.304,620 -0.047,621 -0.079,622 -0.097,623 -0.053,624 -0.079,625 -0.033,626 -0.057,627 -0.051,628 0.044,629 -0.069,630 0.01,631 -0.097,632 -0.017,633 0.134,634 0.104,635 0.068,636 -0.001,637 0.139,638 -0.004,639 0.047,640 -0.107,641 0.018,642 -0.056,643 0.076,644 -0.051,645 -0.033,646 -0.183,647 0.023,648 -0.183,649 -0.008,650 -0.114,651 -0.171,652 -0.093,653 -0.124,654 -0.069,655 -0.171,656 -0.066,657 6.107,658 5.821,659 0.806,660 23.765,661 1.049,662 1.141,663 3.844,664 14.774,665 0.716,666 3.584,667 3.989,668 4.304,669 4.654,670 4.977,671 5.142,672 5.342,673 5.509,674 5.69,675 5.768,676 5.752,677 0.732,678 424.38,679 3.584,680 5.176,681 6.061,682 6.989,683 7.9,684 8.832,685 9.752,686 10.686,687 11.612,688 12.546,689 9.3,696 1,697 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,730 1,731 43,733 24,734 2,735 35,737 47,738 22,739 18,740 6,741 6,742 3,746 5,747 8,752 1,757 1,761 21,762 1,766 2,771 1,773 2,775 1,778 1,779 4,781 12,782 8,783 1,784 9,790 4,794 0.6,795 1,803 1,805 1,811 1,812 4,816 2,827 1,831 2,840 3,846 4,848 31,859 1,860 1,869 4,870 2.3,873 1,877 15.917,878 8.005,879 6.472,880 2.443,881 4.533,882 1.536,883 1.071,884 4.334,885 12.989,886 3.892,887 4.567,888 5.224,889 5.885,890 6.508,891 6.964,892 7.487,893 7.993,894 8.498,895 8.846,896 1,897 56,898 12.29,900 6.274,901 8.384,902 20.705,904 17.548,905 2.884,906 89.417,909 1,910 129.482,911 147.51,912 53.236,914 25.145,915 59.84,917 147.51,918 154.627,919 113.076,921 3.124,922 84.857,923 86.84,924 111.732,925 26.731,926 94.169,927 7.76,928 129.482,929 200.746,930 84.985,933 144.442,934 70.025,937 47.786,938 100.559,939 52.401,941 189.323,942 78.381,943 147.51,946 137.242,947 36.799,948 106.077,949 16.663,950 118.434,951 129.482,952 138.221,953 147.51,955 0.603,956 0.351,957 0.198,958 0.119,959 29,960 13,961 0.043,962 2,963 2,964 1.16,965 3.946,966 315.91,967 0.16,968 25,969 148.825,974 19.322,975 6.953,976 3.249,977 0.973,978 121.558,979 12.278,980 8.271,981 2.708,984 -0.509,986 16.663,987 415.214,988 48,993 12.821,995 2.668,997 -0.675,999 45.087,1000 49.053,1001 0.327,1002 0.704,1003 0.896,1004 0.98,1005 0.98,1006 0.98,1007 5.168,1008 1.793,1009 6.107,1010 5.496,1011 4.673,1012 5.255,1013 3.166,1014 7.022,1015 4.581,1016 6.427,1017 1.711,1018 7.734,1019 5.129,1020 4.511,1021 5.182,1022 3.911,1023 8.241,1024 4.292,1025 7.774,1026 1.187,1027 9.47,1028 4.542,1029 6.402,1030 7.536,1031 5.436,1032 11.347,1033 6.206,1034 9.158,1035 1.063,1036 11.271,1037 3.412,1038 7.031,1039 8.263,1040 6.691,1041 13.366,1042 6.711,1043 10.572,1044 0.969,1045 13.114,1046 2.84,1047 8.456,1048 10.105,1049 8.059,1050 16.064,1051 8.133,1052 12.008,1053 0.741,1054 14.985,1055 2.213,1056 9.419,1057 11.217,1058 9.389,1059 18.391,1060 8.992,1061 13.462,1062 0.618,1063 16.878,1064 1.804,1065 10.689,1066 12.85,1067 10.734,1068 20.966,1069 10.233,1070 3.461,1071 0.197,1072 18.786,1073 1.372,1074 11.795,1075 14.156,1076 12.074,1077 23.414,1078 11.253,1079 3.247,1080 12.87,1081 20.707,1082 0.485,1083 13.017,1084 15.703,1085 13.417,1086 25.954,1087 12.429,1088 2.884,1089 11.765,1090 22.638,1091 4.581,1092 14.184,1093 17.106,1094 14.758,1095 28.451,1096 13.522,1097 2.645,1098 9.496,1099 24.577,1100 4.097,1101 15.395,1102 18.62,1103 16.1,1104 30.984,1105 14.678,1106 2.399,1107 8.766,1108 26.523,1109 3.776,1110 16.589,1111 20.073,1112 17.441,1113 33.503,1114 15.805,1115 2.203,1116 7.396,1117 28.474,1118 3.43,1119 17.801,1120 21.576,1121 18.783,1122 36.035,1123 16.958,1124 1.919,1125 6.502,1126 30.43,1127 3.039,1128 19.008,1129 23.055,1130 20.124,1131 38.565,1132 18.101,1133 10572,1134 20945,1135 23.175,1136 30.796,1137 55.484,1138 55.038,1139 55.154,1140 54.374,1141 54.073,1142 72.606,1143 10.636,1144 168.179,1145 51.457,1146 5.56,1147 6.474,1148 6.936,1149 5.43,1150 5.461,1151 7.581,1152 5.335,1153 20.829,1154 5.265,1155 15.806,1156 1.585,1157 1.573,1158 1.576,1159 1.554,1160 1.545,1161 2.074,1162 0.304,1163 4.805,1164 1.47,1165 4.143,1166 4.169,1167 4.117,1168 4.067,1169 8.513,1170 4.076,1171 3.942,1172 3.976,1173 3.915,1174 3.849,1175 8.201,1176 3.858,1177 3.846,1178 3.896,1179 3.804,1180 3.702,1181 7.999,1182 3.718,1183 3.623,1184 3.657,1185 3.57,1186 3.487,1187 7.999,1188 3.501,1189 3.326,1190 3.37,1191 3.35,1192 3.068,1193 7.429,1194 3.091,1195 3.244,1196 3.286,1197 3.19,1198 3.014,1199 5.063,1200 3.07,1201 3.026,1202 3.078,1203 2.956,1204 2.889,1205 4.936,1206 2.897,1207 2.901,1208 2.951,1209 2.823,1210 2.75,1211 4.57,1212 2.759,1213 0.135,1214 0.128,1215 0.21,1216 0.125,1217 0.099,1218 4.728,1219 0.131,1220 4.474,1221 0.109,1222 7.34,1223 0.368,1224 4.387,1225 0.093,1226 3.461,1227 4.581,1228 3.825,1229 12.87,1230 3.265,1231 2.077,1232 2.057,1233 2.129,1234 2.162,1235 1.291,1236 2.153,1237 1.887,1238 1.866,1239 1.959,1240 1.989,1241 1.091,1242 1.978,1243 1.688,1244 1.664,1245 1.791,1246 1.793,1247 0.896,1248 1.791,1249 1.418,1250 1.384,1251 1.551,1252 1.667,1253 0.626,1254 1.621,1255 1.243,1256 1.139,1257 1.411,1258 1.531,1259 0.34,1260 1.515,1261 1.109,1262 1.069,1263 1.285,1264 1.441,1265 0.265,1266 1.338,1267 1.094,1268 1.058,1269 1.206,1270 1.293,1271 0.255,1272 1.289,1273 0.992,1274 0.944,1275 1.173,1276 1.161,1277 0.217,1278 1.169,1279 4.263,1281 5.645,1282 2.398,1283 7.225,1284 4.443,1285 8.901,1286 6.293,1287 10.633,1291 54.779,1300 0.959,1301 -4.857,1305 31.494,1306 76.202,1307 164.256,1308 209.065,1309 228.574,1310 228.574,1311 228.574,1312 75.851,1313 8.456,1314 63.57,1315 63.57,1316 29,1317 13.046,1318 4.644,1319 3.807,1320 43.147,1321 104,1322 110,1323 0.201,1324 185.672,1325 329.15,1326 444.801,1327 56829,1328 9.3,1329 21.75,1330 0.702,1331 0.504,1332 18.38,1333 15.613,1334 14.826,1335 0.424,1336 0.261,1337 8.949,1338 14.044,1339 8.867,1340 7.238,1341 13.22,1342 9.136,1343 14.643,1344 0.276,1345 0.131,1346 12.014,1347 6.947,1348 11.969,1349 0.164,1350 0.069,1351 10.869,1352 5.054,1353 10.513,1354 0.101,1355 0.035,1356 9.569,1357 3.669,1358 9.235,1359 0.064,1360 0.018,1361 8.16,1362 2.601,1363 0.302,1364 94.601,1365 0.208,1366 28.032,1367 0.602,1368 176,1369 775.448,1370 206.639,1371 645.745,1372 851.03,1373 598,1374 214,1375 609.477,1376 238.289,1377 591.747,1378 893.12,1379 557,1380 5.903}
{0 CHEMBL1773077,1 1.724,2 13,3 3.816,4 14.56,5 110.635,6 8.649,7 0.688,8 3.974,9 4.066,10 3.71,11 3.563,12 5.164,13 3.546,14 4.459,15 4.594,16 4.094,17 3.908,18 5.673,19 3.878,20 4.577,21 4.724,22 4.036,23 3.977,24 5.73,25 3.922,26 4.617,27 4.799,28 4.009,29 3.938,30 5.722,31 3.864,32 4.566,33 4.746,34 3.901,35 3.871,36 5.658,37 3.798,38 4.513,39 4.707,40 3.832,41 3.815,42 5.605,43 3.746,44 4.454,45 4.644,46 3.8,47 3.72,48 5.594,49 3.666,50 4.342,51 4.549,52 3.612,53 3.638,54 5.406,55 3.566,56 0.07,57 0.687,58 7.589,59 4.194,60 7.073,61 4.56,62 0.418,63 1.098,64 16.777,65 6.83,66 29.205,67 7.63,68 0.329,69 1.212,70 19.795,71 8.085,72 36.824,73 8.471,74 0.396,75 1.242,76 22.521,77 8.594,78 36.158,79 9.587,80 0.439,81 1.184,82 23.934,83 8.441,84 31.337,85 9.366,86 0.31,87 1.124,88 19.464,89 7.582,90 29.076,91 8.914,92 0.446,93 1.031,94 20.082,95 7.071,96 38.193,97 8.21,98 0.267,99 0.934,100 15.453,101 6.301,102 26.14,103 7.998,104 15,105 44,106 0.289,107 0.635,108 0.806,109 0.892,110 0.892,111 0.892,112 3.408,113 0.909,114 -4.19,115 -4.13,116 -3.9,119 44.7,120 1,124 1,125 1,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 7,174 3,175 9,178 2,180 2,183 8,187 8,195 7,198 1,199 11,204 2,207 3,211 1,212 10,217 2,220 1,223 1,224 7,232 4,236 2,237 6,240 1,242 1,245 8,249 2,258 7,262 1,263 4,266 2,271 8,275 1448,276 19.781,277 19.781,278 19.781,279 19.781,280 19.781,281 17.08,282 18.697,283 11.759,284 20.476,285 15.803,286 15.803,287 15.803,288 15.803,289 15.803,290 11.628,291 25.03,292 5.587,293 16.895,294 3.831,295 1.772,296 0.756,297 0.245,298 0.245,299 0.245,300 4.107,304 1,305 1,306 815,307 3.317,310 69.279,311 272.884,314 121.265,318 2.138,319 25.092,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 377,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.187,342 3.092,343 6.073,344 3.732,345 2.806,346 3.818,347 1.151,348 8.905,349 2.618,350 4.066,351 3.016,352 5.595,353 3.657,354 2.687,355 3.668,356 0.86,357 7.709,358 2.577,359 3.74,360 2.867,361 5.324,362 3.328,363 2.398,364 3.15,365 0.149,366 6.903,367 2.259,368 3.585,369 2.641,370 5.236,371 3.198,372 2.252,373 2.847,375 6.525,376 2.083,377 3.354,378 2.383,379 4.942,380 2.986,381 2.038,382 2.607,384 5.782,385 1.919,386 3.187,387 2.098,388 4.467,389 2.686,390 1.743,391 2.397,393 4.449,394 1.603,395 3.022,396 1.592,397 4.381,398 2.458,399 1.528,400 2.272,402 4.383,403 1.406,404 2.878,405 1.517,406 4.233,407 2.389,408 1.433,409 2.034,411 3.802,412 1.356,413 2.686,414 1.371,415 3.514,416 2.216,417 1.232,418 1.77,420 2.675,421 1.21,422 2.592,423 1.119,424 3.483,425 2.037,426 1.102,427 1.637,428 2.547,429 1.027,430 1.904,431 0.962,432 3.179,433 1.5,434 0.612,435 0.722,436 1.458,437 0.538,438 1.824,439 0.93,440 3.151,441 1.314,442 0.425,443 0.609,445 1.079,446 0.366,447 1.583,448 0.589,449 2.69,450 1.291,451 0.41,452 0.478,454 0.62,455 0.363,456 1.107,457 0.41,458 2.65,459 0.692,460 -0.229,461 -0.277,463 -0.63,464 -0.208,465 13.933,466 0.48,467 0.656,468 0.023,469 42.25,470 1.457,471 23,472 0.793,473 19.25,474 0.664,475 20.659,476 0.712,477 29.867,478 0.635,479 30.211,480 1.042,481 8.429,482 0.291,483 5.673,484 0.196,485 0.096,487 0.323,493 0.819,494 1.222,495 0.684,496 0.957,497 0.661,498 0.862,499 0.922,500 0.93,501 0.773,502 0.845,503 0.654,504 0.787,505 1.254,506 1.131,507 1.133,508 1.06,509 1.311,510 1.024,511 1.053,512 1.049,513 1.021,514 1.031,515 0.759,516 1.009,517 1.04,518 1.141,519 1.225,520 1.156,521 0.767,522 1.027,523 0.97,524 1.055,525 0.929,526 0.966,527 0.73,528 0.991,529 1.042,530 0.951,531 0.902,532 0.937,533 1.146,534 0.917,535 0.701,536 0.979,537 0.736,538 0.885,539 0.733,540 0.986,541 6.5,542 0.149,543 2.222,544 1.729,545 1.298,546 0.9,547 0.438,548 0.398,549 0.224,550 0.176,551 11927,552 36368,553 2.111,554 38.3,556 13,558 1,559 1,560 3,564 1.716,565 2,566 3.671,567 -0.302,569 1,573 81.013,574 1.724,575 3.783,576 4.799,577 5.31,578 5.31,579 5.31,580 3.142,581 4.582,582 4.826,583 3.836,584 1557.52,585 8.387,586 21880.8,588 1,590 1,591 261.066,592 1.314,593 4.8,594 0.203,595 0.006,596 0.051,597 0.041,598 0.034,599 0.025,600 0.013,601 0.012,602 0.008,603 0.007,604 0.401,605 0.33,606 1,607 0.94,608 149.954,609 -0.058,610 -0.162,611 0.062,612 -0.037,613 -0.083,614 -0.004,615 0.131,616 0.113,617 0.149,618 0.125,619 0.108,620 0.11,621 -0.231,622 -0.096,623 -0.169,624 -0.069,625 -0.223,626 -0.112,627 -0.077,628 -0.037,629 -0.01,630 -0.033,631 -0.017,632 -0.048,633 -0.037,634 -0.13,635 -0.126,636 -0.102,637 -0.016,638 -0.051,639 -0.082,640 -0.056,641 -0.013,642 -0.032,643 0.021,644 -0.026,645 0.037,646 0.027,647 0.055,648 0.013,649 -0.055,650 0.047,651 0.072,652 -0.013,653 0.065,654 -0.016,655 0.022,656 -0.006,657 1.807,658 4.233,659 0.724,660 32.751,661 1.014,662 1.116,663 2.957,664 8.744,665 0.71,666 3.497,667 3.807,668 4.043,669 4.317,670 4.533,671 4.605,672 4.771,673 4.875,674 4.97,675 5.069,676 7.541,677 0.683,678 406.5,679 3.497,680 5.03,681 5.866,682 6.737,683 7.59,684 8.466,685 9.328,686 10.205,687 11.073,688 11.953,689 8.5,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 2,731 47,733 23,734 2,735 32,737 50,738 21,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 3,766 1,771 1,775 1,778 1,781 18,782 7,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 2,848 29,854 1,855 1,856 2,863 1,870 6.4,873 1,875 2,877 14.5,878 9.267,879 6.389,880 2.594,881 4.292,882 1.547,883 0.997,884 5.791,885 12.137,886 3.807,887 4.434,888 5.016,889 5.646,890 6.194,891 6.509,892 6.997,893 7.433,894 7.76,895 8.165,896 0.889,897 42,898 10.641,900 4.443,901 7.77,902 20.116,904 16.013,905 2.27,906 65.833,909 1,910 200.109,911 167.288,912 68.367,914 47.145,916 31.278,917 136.01,918 247.253,919 68.367,920 19.708,921 22.603,922 75.81,923 91.977,924 48.063,925 5.132,926 219.615,928 200.109,929 204.378,930 47.145,931 31.278,933 200.109,934 47.145,937 50.263,938 103.758,939 50.357,940 31.278,941 200.109,942 115.512,943 167.288,946 200.109,947 62.722,948 104.566,949 18.011,950 97.501,951 200.109,952 115.512,953 167.288,955 0.575,956 0.322,957 0.177,958 0.098,959 21,960 9,961 0.12,962 6,963 1,964 1.095,965 4.188,966 248.077,967 0.095,968 21,969 138.881,970 1,974 19.434,975 8.641,976 4.757,977 1.787,978 115.512,979 16.997,980 13.114,983 1.42,984 4.289,986 18.011,987 482.909,988 44,993 11.233,997 -0.141,999 47.651,1000 52.448,1001 0.31,1002 0.681,1003 0.864,1004 0.956,1005 0.956,1006 0.956,1007 5.021,1008 1.528,1009 5.838,1010 4.449,1011 4.489,1012 5.121,1013 2.414,1014 6.605,1015 4.365,1016 6.233,1017 1.433,1018 7.363,1019 4.383,1020 4.007,1021 4.902,1022 1.593,1023 7.368,1024 3.841,1025 7.535,1026 1.232,1027 8.98,1028 3.802,1029 6.043,1030 7.348,1031 3.129,1032 10.433,1033 5.806,1034 8.871,1035 1.102,1036 10.65,1037 2.675,1038 6.347,1039 7.938,1040 3.032,1041 12.005,1042 6.056,1043 10.234,1044 0.612,1045 12.353,1046 2.547,1047 7.848,1048 9.856,1049 4.129,1050 14.564,1051 7.507,1052 11.619,1053 0.425,1054 14.081,1055 1.458,1056 8.536,1057 10.861,1058 4.409,1059 16.502,1060 8.132,1061 13.02,1062 0.41,1063 15.826,1064 1.079,1065 9.803,1066 12.539,1067 5.285,1068 18.87,1069 9.356,1070 3.064,1071 -0.229,1072 17.585,1073 0.62,1074 10.689,1075 13.768,1076 5.75,1077 20.98,1078 10.177,1079 2.806,1080 9.801,1081 19.355,1082 -0.63,1083 11.85,1084 15.333,1085 6.514,1086 23.275,1087 11.296,1088 2.687,1089 8.905,1090 21.134,1091 4.453,1092 12.837,1093 16.682,1094 7.068,1095 25.465,1096 12.22,1097 2.398,1098 7.709,1099 22.921,1100 3.818,1101 13.953,1102 18.195,1103 7.776,1104 27.736,1105 13.292,1106 2.252,1107 6.903,1108 24.715,1109 3.668,1110 14.992,1111 19.607,1112 8.374,1113 29.964,1114 14.27,1115 2.038,1116 6.525,1117 26.514,1118 3.15,1119 16.092,1120 21.099,1121 9.053,1122 32.228,1123 15.323,1124 1.743,1125 5.782,1126 28.318,1127 2.847,1128 17.159,1129 22.546,1130 9.674,1131 34.475,1132 16.332,1133 11348,1134 19988,1135 21.671,1136 33.364,1137 47.75,1138 48.743,1139 48.34,1140 47.344,1141 47.462,1142 64.926,1143 8.134,1144 133.279,1145 44.46,1146 5.346,1147 5.536,1148 5.939,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 13,1156 1.492,1157 1.523,1158 1.511,1159 1.479,1160 1.483,1161 2.029,1162 0.254,1163 4.165,1164 1.389,1165 4.083,1166 4.101,1167 4.323,1168 4.062,1169 7.43,1170 4.026,1171 3.924,1172 3.945,1173 3.882,1174 3.848,1175 5.088,1176 3.847,1177 3.786,1178 3.825,1179 3.796,1180 3.649,1181 4.932,1182 3.656,1183 3.566,1184 3.612,1185 3.497,1186 3.352,1187 4.856,1188 3.369,1189 3.317,1190 3.359,1191 3.345,1192 3.16,1193 4.438,1194 3.133,1195 3.23,1196 3.276,1197 3.161,1198 3.063,1199 4.317,1200 3.063,1201 3.143,1202 3.203,1203 2.987,1204 2.925,1205 4.199,1206 2.924,1207 2.89,1208 2.942,1209 2.871,1210 2.795,1211 3.914,1212 2.779,1213 0.141,1214 0.11,1215 0.198,1216 0.125,1217 0.096,1218 4.516,1219 0.139,1220 3.536,1221 0.06,1222 6.343,1223 0.306,1224 4.005,1225 0.091,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.953,1232 1.935,1233 2.019,1234 2.043,1235 1.159,1236 2.037,1237 1.897,1238 1.876,1239 2.001,1240 1.989,1241 1.134,1242 1.996,1243 1.647,1244 1.61,1245 1.74,1246 1.822,1247 0.747,1248 1.798,1249 1.525,1250 1.482,1251 1.722,1252 1.77,1253 0.735,1254 1.76,1255 1.241,1256 1.191,1257 1.58,1258 1.538,1259 0.622,1260 1.549,1261 1.195,1262 1.168,1263 1.426,1264 1.385,1265 0.548,1266 1.399,1267 1.131,1268 1.064,1269 1.25,1270 1.344,1271 0.432,1272 1.377,1273 0.9,1274 0.871,1275 1.082,1276 1.012,1277 0.153,1278 1.045,1279 4.174,1281 5.485,1282 2.398,1283 6.978,1284 4.727,1285 8.555,1286 6.823,1287 10.177,1289 3.094,1295 0.342,1296 2.717,1297 10.982,1305 32.105,1306 81.013,1307 177.781,1308 225.556,1309 249.556,1310 249.556,1311 249.556,1312 39.764,1313 7.845,1314 86.23,1315 114.47,1316 23,1317 12.492,1318 4.585,1319 3.7,1320 44.936,1321 130,1322 129,1323 0.166,1324 200.731,1325 338.66,1326 481.545,1327 30438,1329 20.217,1330 0.697,1331 0.576,1332 20.571,1333 16.694,1334 14.102,1335 0.441,1336 0.303,1337 8.798,1338 13.042,1339 8.468,1340 7.056,1341 14.51,1342 9.695,1343 12.737,1344 0.289,1345 0.165,1346 13.406,1347 7.278,1348 10.199,1349 0.182,1350 0.09,1351 10.934,1352 5.036,1353 8.731,1354 0.118,1355 0.05,1356 9.674,1357 3.72,1358 7.012,1359 0.076,1360 0.026,1361 7.757,1362 2.433,1363 0.267,1364 92.972,1365 0.215,1366 28.01,1367 0.437,1368 152,1369 497.335,1370 195.586,1371 495.583,1372 678.94,1373 466,1374 176,1375 483.731,1376 213.293,1377 505.682,1378 736.81,1379 473,1380 7.745}
{0 CHEMBL1773558,1 1.833,2 13.548,3 3.427,4 11.741,5 120.091,6 9.277,7 0.647,8 4.02,9 4.099,10 3.931,11 3.658,12 5.195,13 3.617,14 4.516,15 4.63,16 4.268,17 4.017,18 5.921,19 3.97,20 4.683,21 4.815,22 4.261,23 4.12,24 5.951,25 4.047,26 4.73,27 4.879,28 4.243,29 4.105,30 6.061,31 4.014,32 4.715,33 4.899,34 4.107,35 4.029,36 5.917,37 3.937,38 4.612,39 4.788,40 4.079,41 3.959,42 5.89,43 3.871,44 4.517,45 4.662,46 4,47 3.877,48 5.817,49 3.806,50 4.539,51 4.722,52 3.879,53 3.787,54 5.805,55 3.698,56 0.143,57 0.748,58 9.159,59 4.726,60 16.875,61 4.509,62 0.514,63 1.189,64 16.941,65 7.728,66 56.958,67 7.919,68 0.499,69 1.379,70 23.552,71 9.679,72 58.23,73 8.85,74 0.572,75 1.408,76 25.829,77 10.656,78 61.386,79 10.508,80 0.528,81 1.375,82 29.405,83 10.765,84 66.537,85 10.987,86 0.594,87 1.242,88 23.697,89 9.323,90 57.471,91 10.013,92 0.405,93 1.163,94 23.36,95 8.539,96 45.454,97 8.099,98 0.603,99 1.112,100 24.436,101 8.638,102 80.459,103 8.304,104 31,105 49,106 0.303,107 0.641,108 0.773,109 0.863,110 0.863,111 0.863,112 3.472,113 1.011,114 -3.7,115 -3.67,116 -3.49,119 42.9,120 1,124 1,142 9,143 2,144 2,145 1,146 1,147 1,152 1,158 1,162 1,172 8,174 1,175 7,178 5,180 3,183 10,187 9,192 3,195 10,198 3,199 10,204 6,207 5,212 7,217 4,220 4,223 2,224 11,227 1,229 2,232 6,237 7,242 3,245 8,249 2,250 4,253 1,258 9,263 5,266 1,267 1,271 8,275 1652,276 20.599,277 20.599,278 20.599,279 20.599,280 20.599,281 17.635,282 17.19,283 11.943,284 21.283,285 16.758,286 16.758,287 16.758,288 16.758,289 16.758,290 12.128,291 18.224,292 5.638,293 17.836,294 3.782,295 1.74,296 0.94,297 0.398,298 0.398,299 0.398,300 4.164,304 1,305 1,306 903,307 4,310 76.548,311 299.757,314 133.573,318 2.114,319 39.761,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 68,331 420,332 4.856,333 4.686,334 7.308,335 4.312,336 3.393,337 4.707,338 1.907,339 12.509,340 3.091,341 4.515,342 3.536,343 6.342,344 4.008,345 3.062,346 4.453,347 0.86,348 9.8,349 2.93,350 4.174,351 3.059,352 6.072,353 3.735,354 2.785,355 3.807,356 0.149,357 8.898,358 2.615,359 3.888,360 2.826,361 5.413,362 3.445,363 2.494,364 3.434,366 7.045,367 2.369,368 3.716,369 2.798,370 5.292,371 3.315,372 2.357,373 3.125,375 6.765,376 2.262,377 3.562,378 2.421,379 5.237,380 3.156,381 2.198,382 2.836,384 6.497,385 2.087,386 3.19,387 2.09,388 4.722,389 2.699,390 1.748,391 2.403,393 4.824,394 1.634,395 3.109,396 1.768,397 4.456,398 2.601,399 1.638,400 2.33,402 4.404,403 1.557,404 3.018,405 1.527,406 4.379,407 2.452,408 1.521,409 2.26,411 4.38,412 1.4,413 2.852,414 1.444,415 4.216,416 2.355,417 1.379,418 1.998,420 3.738,421 1.337,422 2.591,423 1.114,424 3.489,425 2.06,426 1.099,427 1.634,428 2.537,429 1.053,430 2.5,431 1.074,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 1,440 3.217,441 1.358,442 0.497,443 0.611,445 1.083,446 0.423,447 1.654,448 0.589,449 3.16,450 1.317,451 0.411,452 0.555,454 0.76,455 0.365,456 1.2,457 0.411,458 2.786,459 0.832,460 -0.119,461 -0.148,463 -0.333,464 -0.112,465 15.1,466 0.487,467 0.922,468 0.03,469 46,470 1.484,471 26,472 0.839,473 20,474 0.645,475 22.512,476 0.726,477 32.3,478 0.659,479 36.065,480 1.163,481 8.925,482 0.288,483 5.91,484 0.191,485 0.132,486 0.055,487 0.298,493 0.636,494 1.211,495 0.753,496 1.065,497 0.654,498 0.839,499 0.699,500 0.975,501 0.798,502 0.884,503 0.561,504 0.809,505 1.246,506 1.074,507 1.189,508 1.048,509 1.152,510 0.988,511 0.974,512 1.123,513 1.132,514 1.139,515 0.998,516 1.105,517 1.029,518 1.031,519 1.097,520 1.049,521 1.136,522 0.978,523 0.737,524 0.977,525 0.944,526 0.936,527 0.775,528 0.93,529 1.163,530 1.262,531 1.315,532 1.295,533 1.156,534 1.122,535 1.327,536 0.811,537 0.93,538 0.795,539 1.574,540 0.978,541 8.5,542 0.246,543 3.556,544 2.479,545 1.618,546 1.344,547 0.72,548 0.523,549 0.327,550 0.233,551 13601,552 45916,553 2.057,554 36.7,556 12,558 1,559 2,560 3,564 1.734,565 1.908,566 3.705,567 0.289,569 1,573 89.823,574 1.833,575 3.875,576 4.675,577 5.217,578 5.217,579 5.217,580 3.216,581 4.567,582 4.922,583 3.859,584 1794.24,585 8.586,586 25988.8,588 1,591 275.121,592 1.595,593 4.87,594 0.25,595 0.009,596 0.073,597 0.052,598 0.036,599 0.033,600 0.018,601 0.014,602 0.011,603 0.008,604 0.503,605 0.33,606 1,607 0.999,608 162.826,609 0.017,610 -0.117,611 0.154,612 -0.051,613 -0.147,614 0.03,615 0.216,616 0.079,617 0.112,618 0.087,619 0.218,620 0.079,621 -0.265,622 -0.023,623 -0.174,624 -0.019,625 -0.162,626 -0.072,627 -0.025,628 -0.111,629 -0.102,630 -0.108,631 0.013,632 -0.146,633 -0.125,634 -0.042,635 -0.049,636 -0.026,637 -0.119,638 0.032,639 0.15,640 0.016,641 0.039,642 0.048,643 0.097,644 0.059,645 -0.191,646 -0.227,647 -0.231,648 -0.231,649 -0.085,650 -0.169,651 -0.181,652 0.143,653 -0.029,654 0.11,655 -0.241,656 -0.018,657 4.713,658 5.682,659 0.677,660 34.144,661 1.022,662 1.114,663 2.473,664 6.118,665 0.724,666 3.555,667 3.912,668 4.143,669 4.407,670 4.615,671 4.745,672 4.89,673 4.949,674 5.037,675 5.147,676 7.632,677 0.694,678 454.57,679 3.555,680 5.118,681 5.964,682 6.855,683 7.719,684 8.615,685 9.486,686 10.383,687 11.259,688 12.156,689 8.2,694 1,696 1,699 2,703 2,704 10,705 2,708 1,709 6,711 22,729 1,731 49,733 25,734 2,735 34,737 52,738 21,739 18,740 5,741 7,746 4,747 5,752 1,761 19,762 2,766 3,769 1,771 3,775 1,778 1,781 18,782 8,783 2,784 10,785 2,790 4,794 0.75,795 4,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,848 31,852 1,855 2,856 1,863 1,870 8.2,873 3,875 1,877 16.25,878 9.483,879 6.681,880 2.613,881 4.249,882 1.536,883 1.014,884 6.008,885 12.182,886 3.892,887 4.567,888 5.117,889 5.74,890 6.286,891 6.658,892 7.125,893 7.502,894 7.823,895 8.251,896 1,897 48,898 11.68,900 5.263,901 7.992,902 21.328,904 17.48,905 2.492,906 77.25,909 1,910 188.338,911 174.716,912 67.987,914 80.458,916 37.085,917 137.63,918 268.795,919 67.987,920 19.708,921 18.011,922 91.094,923 135.91,924 35.858,925 3.074,926 207.844,928 188.338,929 205.617,930 80.458,931 37.085,933 188.338,934 80.458,937 38.528,938 117.113,939 55.783,940 31.278,941 188.338,942 148.445,943 174.716,945 5.807,946 188.338,947 54.866,948 114.042,949 34.416,950 114.029,951 188.338,952 148.445,953 174.716,955 0.589,956 0.33,957 0.174,958 0.094,959 24,960 11,961 0.115,962 6,963 1,964 1.095,965 4.222,966 278.099,967 0.095,968 21,969 147.58,970 1,973 1,974 21.378,975 8.713,976 4.905,977 1.672,978 148.445,979 16.78,980 8.509,983 1.368,984 3.076,986 34.416,987 511.498,988 48,991 -3.796,993 36.614,997 -0.179,999 50.054,1000 54.577,1001 0.326,1002 0.69,1003 0.833,1004 0.929,1005 0.929,1006 0.929,1007 5.133,1008 1.638,1009 5.989,1010 4.824,1011 4.595,1012 5.255,1013 2.143,1014 6.832,1015 4.478,1016 6.392,1017 1.521,1018 7.574,1019 4.404,1020 4.369,1021 5.33,1022 1.593,1023 7.972,1024 4.173,1025 7.747,1026 1.379,1027 9.267,1028 4.38,1029 6.267,1030 7.601,1031 2.962,1032 10.994,1033 6.02,1034 9.141,1035 1.099,1036 11.026,1037 3.738,1038 6.825,1039 8.47,1040 3.032,1041 12.976,1042 6.475,1043 10.568,1044 1,1045 12.832,1046 2.537,1047 8.256,1048 10.275,1049 4.052,1050 15.603,1051 7.861,1052 12.02,1053 0.497,1054 14.672,1055 2.275,1056 9.163,1057 11.5,1058 4.409,1059 17.916,1060 8.656,1061 13.492,1062 0.411,1063 16.539,1064 1.083,1065 10.425,1066 13.131,1067 5.254,1068 20.444,1069 9.864,1070 3.393,1071 -0.119,1072 18.427,1073 0.76,1074 11.49,1075 14.52,1076 5.75,1077 22.882,1078 10.82,1079 3.062,1080 12.509,1081 20.332,1082 -0.333,1083 12.697,1084 16.083,1085 6.502,1086 25.392,1087 11.959,1088 2.785,1089 9.8,1090 22.251,1091 4.707,1092 13.833,1093 17.546,1094 7.068,1095 27.878,1096 12.991,1097 2.494,1098 8.898,1099 24.182,1100 4.453,1101 15.025,1102 19.085,1103 7.771,1104 30.389,1105 14.104,1106 2.357,1107 7.045,1108 26.122,1109 3.807,1110 16.194,1111 20.584,1112 8.374,1113 32.896,1114 15.173,1115 2.198,1116 6.765,1117 28.071,1118 3.434,1119 17.387,1120 22.115,1121 9.051,1122 35.412,1123 16.279,1124 1.748,1125 6.497,1126 30.025,1127 3.125,1128 18.573,1129 23.631,1130 9.674,1131 37.928,1132 17.368,1133 13046,1134 24154,1135 22.364,1136 35.466,1137 51.526,1138 52.948,1139 52.731,1140 51.108,1141 51.164,1142 71.307,1143 5.832,1144 151.029,1145 48.245,1146 5.687,1147 6.686,1148 6.858,1149 5.432,1150 5.393,1151 7.707,1152 3.306,1153 19.859,1154 5.091,1155 16.9,1156 1.515,1157 1.557,1158 1.551,1159 1.503,1160 1.505,1161 2.097,1162 0.172,1163 4.442,1164 1.419,1165 4.117,1166 4.122,1167 4.736,1168 4.094,1169 7.717,1170 4.047,1171 4.04,1172 4.029,1173 4.323,1174 4.034,1175 7.43,1176 3.957,1177 3.818,1178 3.852,1179 3.824,1180 3.732,1181 6.999,1182 3.725,1183 3.625,1184 3.628,1185 3.718,1186 3.53,1187 4.994,1188 3.464,1189 3.558,1190 3.575,1191 3.492,1192 3.352,1193 4.857,1194 3.364,1195 3.23,1196 3.28,1197 3.334,1198 3.152,1199 4.837,1200 3.109,1201 3.188,1202 3.25,1203 3.003,1204 2.915,1205 4.329,1206 2.913,1207 2.894,1208 2.946,1209 2.891,1210 2.798,1211 4.299,1212 2.781,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.856,1219 0.138,1220 4.686,1221 0.056,1222 7.308,1223 0.368,1224 4.312,1225 0.091,1226 3.393,1227 4.707,1228 1.907,1229 12.509,1230 3.091,1231 1.991,1232 1.985,1233 2.041,1234 2.069,1235 1.199,1236 2.087,1237 1.937,1238 1.937,1239 1.97,1240 2.001,1241 1.151,1242 2.021,1243 1.716,1244 1.687,1245 1.799,1246 1.844,1247 0.882,1248 1.839,1249 1.525,1250 1.482,1251 1.726,1252 1.774,1253 0.738,1254 1.762,1255 1.427,1256 1.462,1257 1.569,1258 1.613,1259 0.616,1260 1.639,1261 1.195,1262 1.168,1263 1.254,1264 1.437,1265 0.512,1266 1.471,1267 1.148,1268 1.07,1269 1.222,1270 1.349,1271 0.431,1272 1.38,1273 0.909,1274 0.877,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.234,1281 5.58,1282 2.398,1283 7.107,1284 4.727,1285 8.716,1286 6.823,1287 10.366,1289 2.949,1296 5.193,1297 5.064,1305 34.007,1306 89.823,1307 189.862,1308 229.082,1309 255.611,1310 255.611,1311 255.611,1312 61.961,1313 7.933,1314 110.28,1315 146.9,1316 23,1317 12.684,1318 4.7,1319 3.907,1320 49.628,1321 142,1322 152,1323 0.17,1324 215.859,1325 365.96,1326 518.455,1327 32928,1329 22.01,1330 0.71,1331 0.589,1332 22.613,1333 18.25,1334 14.836,1335 0.436,1336 0.337,1337 9.209,1338 13.026,1339 8.748,1340 7.28,1341 16.065,1342 11.454,1343 14.172,1344 0.289,1345 0.19,1346 16.141,1347 9.307,1348 11.091,1349 0.179,1350 0.108,1351 12.93,1352 6.678,1353 9.411,1354 0.116,1355 0.06,1356 11.375,1357 4.876,1358 7.24,1359 0.072,1360 0.033,1361 8.834,1362 3.255,1363 0.272,1364 105.652,1365 0.211,1366 29.413,1367 0.453,1368 166,1369 558.619,1370 246.676,1371 578.043,1372 780.92,1373 534,1374 194,1375 528.563,1376 276.814,1377 587.923,1378 853.65,1379 549,1380 7.886}
{0 CHEMBL1773559,1 1.768,2 12.821,3 4.367,4 19.072,5 112.244,6 9.285,7 0.71,8 3.908,9 3.995,10 3.746,11 3.581,12 5.103,13 3.53,14 4.374,15 4.499,16 4.17,17 3.93,18 5.581,19 3.865,20 4.496,21 4.635,22 4.107,23 4.013,24 5.651,25 3.91,26 4.478,27 4.634,28 4.053,29 3.97,30 5.606,31 3.845,32 4.461,33 4.648,34 3.954,35 3.887,36 5.541,37 3.777,38 4.392,39 4.579,40 3.88,41 3.851,42 5.471,43 3.729,44 4.277,45 4.421,46 3.86,47 3.766,48 5.448,49 3.64,50 4.241,51 4.438,52 3.628,53 3.606,54 5.305,55 3.508,56 0.053,57 0.637,58 6.256,59 3.861,60 5.923,61 4.06,62 0.281,63 1.067,64 15.051,65 6.518,66 21.307,67 6.839,68 0.3,69 1.175,70 20.337,71 8.392,72 34.015,73 7.716,74 0.266,75 1.164,76 20.896,77 8.614,78 25.161,79 8.684,80 0.259,81 1.176,82 23.235,83 8.365,84 23.087,85 8.615,86 0.212,87 1.066,88 19.137,89 7.781,90 21.762,91 8.506,92 0.275,93 0.94,94 20.72,95 7.566,96 24.483,97 7.314,98 0.181,99 0.876,100 13.67,101 5.999,102 20.887,103 7.212,104 15,105 43,106 0.3,107 0.647,108 0.783,109 0.86,110 0.86,111 0.86,112 3.374,113 0.975,114 -4.32,115 -4.25,116 -4.01,119 45.5,120 1,124 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 1,175 10,178 2,180 2,183 8,187 6,195 9,198 1,199 9,204 2,207 5,212 8,217 2,220 3,223 1,224 4,232 7,236 2,237 3,240 1,242 1,245 11,249 1,250 1,258 6,262 1,263 4,266 1,268 1,271 5,275 1306,276 19.074,277 19.074,278 19.074,279 19.074,280 19.074,281 16.373,282 14.646,283 11.273,284 19.841,285 15.303,286 15.303,287 15.303,288 15.303,289 15.303,290 11.165,291 16.783,292 5.361,293 16.552,294 3.692,295 1.654,296 0.852,297 0.398,298 0.398,299 0.398,300 4.074,304 1,305 1,306 778,307 3.162,310 66.222,311 258.232,314 116.034,318 2.048,319 21.268,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 359,332 4.516,333 4.554,334 6.343,335 4.005,336 3.065,337 4.453,338 2.95,339 9.802,340 2.904,341 4.202,342 3.536,343 6.076,344 3.736,345 2.824,346 3.834,347 1.907,348 8.921,349 2.58,350 4.034,351 3.158,352 5.594,353 3.594,354 2.655,355 3.628,356 0.86,357 7.694,358 2.483,359 3.741,360 3.03,361 5.309,362 3.322,363 2.397,364 3.154,365 0.149,366 6.841,367 2.255,368 3.603,369 2.779,370 5.247,371 3.213,372 2.274,373 2.868,375 6.577,376 2.056,377 3.389,378 2.662,379 4.945,380 2.931,381 2.004,382 2.687,384 5.79,385 1.84,386 3.176,387 2.116,388 4.46,389 2.671,390 1.732,391 2.388,393 4.425,394 1.584,395 3.018,396 1.614,397 4.379,398 2.452,399 1.523,400 2.265,402 4.382,403 1.397,404 2.849,405 1.517,406 4.22,407 2.347,408 1.391,409 1.999,411 3.751,412 1.315,413 2.591,414 1.303,415 3.485,416 2.034,417 1.1,418 1.635,420 2.539,421 1.024,422 2.5,423 1.117,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.903,431 1,432 3.164,433 1.44,434 0.589,435 0.659,436 1.086,437 0.495,438 1.748,439 0.72,440 2.999,441 1.314,442 0.411,443 0.61,445 1.001,446 0.364,447 1.24,448 0.589,449 2.657,450 0.848,456 1.105,457 0.42,458 2.583,459 0.692,460 -0.23,461 -0.277,463 -0.631,464 -0.208,465 13.933,466 0.498,467 0.656,468 0.023,469 41.25,470 1.473,471 23,472 0.821,473 18.25,474 0.652,475 20.291,476 0.725,477 28.067,478 0.638,479 28.348,480 1.012,481 8.014,482 0.286,483 5.588,484 0.2,485 0.096,487 0.323,493 0.787,494 1.103,495 0.683,496 0.824,497 0.64,498 0.792,499 0.855,500 1.011,501 0.756,502 0.876,503 0.629,504 0.766,505 1.357,506 1.016,507 1.241,508 1.009,509 1.353,510 0.946,511 0.825,512 1.15,513 1.196,514 1.171,515 0.654,516 1.091,517 0.817,518 1.098,519 1.16,520 1.123,521 0.741,522 0.981,523 0.724,524 0.939,525 1.016,526 0.969,527 0.643,528 0.952,529 0.792,530 1.076,531 1.208,532 1.228,533 1.129,534 1.161,535 0.739,536 1.034,537 0.684,538 0.871,539 0.768,540 1.006,541 6.5,542 0.164,543 2.222,544 1.729,545 1.218,546 0.844,547 0.596,548 0.352,549 0.22,550 0.194,551 10680,552 33639,553 2.115,554 36.4,556 11,558 1,559 1,560 3,564 1.707,565 2,566 3.642,567 -0.288,569 1,573 77.776,574 1.768,575 3.805,576 4.607,577 5.061,578 5.061,579 5.061,580 3.111,581 4.182,582 4.773,583 3.784,584 1430.21,585 8.284,586 19326.4,588 1,590 1,591 240.215,592 1.333,593 4.748,594 0.21,595 0.008,596 0.052,597 0.042,598 0.033,599 0.024,600 0.018,601 0.012,602 0.008,603 0.008,604 0.415,605 0.17,606 1,607 0.961,608 142.598,609 -0.059,610 -0.101,611 0.056,612 0.025,613 -0.088,614 0.019,615 0.122,616 0.016,617 0.183,618 0.083,619 0.094,620 0.114,621 -0.299,622 0.026,623 -0.174,624 0.036,625 -0.24,626 -0.034,627 -0.024,628 -0.123,629 -0.106,630 -0.11,631 0.025,632 -0.13,633 -0.067,634 -0.044,635 -0.075,636 -0.084,637 -0.046,638 0.003,639 -0.022,640 0.066,641 -0.01,642 0.031,643 0.053,644 0.041,645 0.119,646 -0.079,647 -0.116,648 -0.158,649 -0.052,650 -0.202,651 0.05,652 -0.102,653 0.095,654 -0.028,655 -0.009,656 -0.027,657 1.796,658 4.231,659 0.75,660 30.306,661 1.012,662 1.108,663 3.087,664 9.53,665 0.745,666 3.466,667 3.784,668 4.025,669 4.304,670 4.533,671 4.625,672 4.796,673 4.913,674 4.99,675 5.106,676 7.249,677 0.706,678 408.54,679 3.466,680 5.004,681 5.844,682 6.718,683 7.575,684 8.454,685 9.32,686 10.202,687 11.073,688 11.956,689 9.1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 44,733 23,734 2,735 31,737 47,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,781 16,782 6,783 1,784 8,785 2,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 2,848 28,855 1,856 1,857 1,863 1,870 4.5,873 1,875 1,877 14,878 8.767,879 6.139,880 2.428,881 4.304,882 1.552,883 1.01,884 5.556,885 12.103,886 3.784,887 4.422,888 5.01,889 5.649,890 6.217,891 6.551,892 7.055,893 7.515,894 7.845,895 8.272,896 0.889,897 41,898 10.269,900 4.303,901 7.738,902 19.504,904 15.674,905 2.238,906 62.667,909 1,910 176.567,911 189.588,912 68.367,914 36.145,916 63.497,917 126.091,918 212.711,919 68.367,920 19.708,921 18.011,922 75.81,923 91.977,924 35.429,925 1.439,926 228.293,928 176.567,929 194.458,930 36.145,931 63.497,933 176.567,934 36.145,937 41.978,938 102.123,939 50.357,940 63.497,941 176.567,942 104.512,943 189.588,946 176.567,947 85.022,948 104.566,949 18.011,950 86.501,951 176.567,952 104.512,953 189.588,955 0.577,956 0.323,957 0.177,958 0.098,959 21,960 9,961 0.106,962 5,963 1,964 1.095,965 4.084,966 238.942,967 0.095,968 21,969 130.606,970 2,974 18.851,975 8.253,976 4.511,977 1.837,978 104.512,979 17.367,980 13.458,983 1.441,984 4.933,986 18.011,987 470.666,988 43,993 11.231,997 -0.129,999 44.516,1000 48.743,1001 0.324,1002 0.697,1003 0.844,1004 0.927,1005 0.927,1006 0.927,1007 5.001,1008 1.523,1009 5.82,1010 4.425,1011 4.466,1012 5.109,1013 3.255,1014 6.594,1015 4.32,1016 6.219,1017 1.391,1018 7.351,1019 4.382,1020 4.007,1021 4.902,1022 1.593,1023 7.368,1024 3.791,1025 7.525,1026 1.1,1027 8.971,1028 3.751,1029 6.028,1030 7.344,1031 5.141,1032 10.43,1033 5.746,1034 8.863,1035 1,1036 10.644,1037 2.539,1038 6.347,1039 7.938,1040 3.032,1041 12.005,1042 5.985,1043 10.229,1044 0.589,1045 12.349,1046 2.275,1047 7.84,1048 9.855,1049 7.227,1050 14.565,1051 7.433,1052 11.615,1053 0.411,1054 14.078,1055 1.086,1056 8.536,1057 10.859,1058 4.409,1059 16.503,1060 8.048,1061 13.017,1063 15.824,1064 1.001,1065 9.799,1066 12.538,1067 9.364,1068 18.873,1069 9.272,1070 3.065,1071 -0.23,1072 17.584,1074 10.689,1075 13.766,1076 5.75,1077 20.982,1078 10.085,1079 2.824,1080 9.802,1081 19.355,1082 -0.631,1083 11.849,1084 15.331,1085 11.518,1086 23.279,1087 11.206,1088 2.655,1089 8.921,1090 21.134,1091 4.453,1092 12.839,1093 16.679,1094 7.068,1095 25.469,1096 12.125,1097 2.397,1098 7.694,1099 22.922,1100 3.834,1101 13.955,1102 18.193,1103 13.678,1104 27.74,1105 13.199,1106 2.274,1107 6.841,1108 24.716,1109 3.628,1110 14.996,1111 19.605,1112 8.374,1113 29.969,1114 14.176,1115 2.004,1116 6.577,1117 26.515,1118 3.154,1119 16.097,1120 21.098,1121 15.84,1122 32.233,1123 15.231,1124 1.732,1125 5.79,1126 28.319,1127 2.868,1128 17.165,1129 22.544,1130 9.674,1131 34.481,1132 16.241,1133 10171,1134 18217,1135 20.978,1136 32.796,1137 46.478,1138 49.129,1139 47.139,1140 45.964,1141 45.933,1142 63.36,1143 11.732,1144 130.172,1145 42.595,1146 5.284,1147 6.554,1148 5.897,1149 5.148,1150 5.065,1151 7.453,1152 5.9,1153 16.309,1154 4.904,1155 12.71,1156 1.499,1157 1.585,1158 1.521,1159 1.483,1160 1.482,1161 2.044,1162 0.378,1163 4.199,1164 1.374,1165 4.082,1166 4.099,1167 4.325,1168 4.064,1169 7.43,1170 4.027,1171 3.902,1172 3.919,1173 4.062,1174 3.864,1175 5.033,1176 3.837,1177 3.766,1178 3.806,1179 3.767,1180 3.65,1181 4.901,1182 3.649,1183 3.563,1184 3.609,1185 3.525,1186 3.357,1187 4.843,1188 3.369,1189 3.263,1190 3.315,1191 3.398,1192 3.173,1193 4.356,1194 3.125,1195 3.218,1196 3.265,1197 3.257,1198 3.046,1199 4.292,1200 3.012,1201 2.906,1202 2.949,1203 2.945,1204 2.841,1205 3.917,1206 2.798,1207 2.858,1208 2.925,1209 2.858,1210 2.773,1211 3.816,1212 2.735,1213 0.146,1214 0.147,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 4.554,1221 0.095,1222 6.343,1223 0.316,1224 4.005,1225 0.094,1226 3.065,1227 4.453,1228 2.95,1229 9.802,1230 2.904,1231 1.955,1232 1.937,1233 2.007,1234 2.029,1235 1.16,1236 2.032,1237 1.869,1238 1.854,1239 1.956,1240 1.949,1241 1.065,1242 1.96,1243 1.641,1244 1.604,1245 1.733,1246 1.802,1247 0.75,1248 1.784,1249 1.525,1250 1.482,1251 1.715,1252 1.763,1253 0.736,1254 1.758,1255 1.199,1256 1.168,1257 1.565,1258 1.5,1259 0.574,1260 1.524,1261 1.194,1262 1.135,1263 1.25,1264 1.35,1265 0.432,1266 1.381,1267 0.921,1268 0.9,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.012,1277 0.176,1278 1.045,1279 4.143,1281 5.46,1282 2.398,1283 6.959,1284 4.727,1285 8.541,1286 6.823,1287 10.168,1289 3.119,1296 2.729,1297 5.187,1298 1.495,1305 31.05,1306 77.776,1307 167.421,1308 202.705,1309 222.705,1310 222.705,1311 222.705,1312 37.324,1313 7.799,1314 77,1315 130.54,1316 23,1317 12.492,1318 4.585,1319 3.7,1320 42.642,1321 120,1322 134,1323 0.171,1324 198.274,1325 331.08,1326 475.548,1327 27810,1329 19.51,1330 0.697,1331 0.6,1332 20.217,1333 16.804,1334 13.602,1335 0.439,1336 0.325,1337 8.465,1338 12.206,1339 8.061,1340 6.714,1341 14.418,1342 10.074,1343 12.384,1344 0.288,1345 0.185,1346 13.748,1347 7.956,1348 9.958,1349 0.181,1350 0.103,1351 11.415,1352 5.69,1353 8.523,1354 0.117,1355 0.059,1356 10.224,1357 4.28,1358 6.855,1359 0.075,1360 0.032,1361 8.408,1362 2.928,1363 0.274,1364 93.147,1365 0.218,1366 27.117,1367 0.455,1368 148,1369 464.46,1370 214.557,1371 491.77,1372 676.6,1373 462,1374 172,1375 469.02,1376 225.682,1377 508.456,1378 741.79,1379 477,1380 7.745}
{0 CHEMBL1773560,1 1.821,2 12.321,3 4.038,4 16.303,5 104.389,6 9.173,7 0.71,8 3.895,9 3.985,10 3.677,11 3.513,12 5.132,13 3.5,14 4.372,15 4.497,16 4.08,17 3.863,18 5.677,19 3.837,20 4.531,21 4.686,22 4.006,23 3.908,24 5.77,25 3.861,26 4.523,27 4.708,28 3.969,29 3.828,30 5.712,31 3.77,32 4.416,33 4.581,34 3.855,35 3.743,36 5.67,37 3.695,38 4.367,39 4.55,40 3.79,41 3.712,42 5.532,43 3.663,44 4.297,45 4.458,46 3.782,47 3.644,48 5.61,49 3.605,50 4.277,51 4.488,52 3.554,53 3.566,54 5.404,55 3.494,56 0.101,57 0.703,58 5.727,59 3.731,60 8.49,61 3.79,62 0.373,63 1.127,64 12.759,65 6.131,66 23.188,67 6.537,68 0.429,69 1.298,70 18.023,71 7.757,72 51.452,73 7.423,74 0.473,75 1.236,76 20.066,77 7.823,78 45.874,79 8.029,80 0.528,81 1.15,82 19.769,83 7.182,84 48.633,85 6.87,86 0.346,87 1.032,88 15.602,89 6.371,90 29.622,91 6.883,92 0.403,93 1.032,94 14.166,95 5.779,96 39.535,97 6.135,98 0.318,99 0.938,100 14.186,101 6.055,102 31.842,103 7.413,104 12,105 43,106 0.311,107 0.653,108 0.804,109 0.899,110 0.899,111 0.899,112 3.374,113 0.897,114 -4.84,115 -4.74,116 -4.45,119 46.5,120 1,125 1,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 7,174 3,175 7,178 2,180 2,183 8,187 6,195 7,198 1,199 10,204 2,207 3,212 10,217 2,220 1,223 1,224 7,232 4,237 6,240 1,242 1,245 8,249 2,258 7,262 1,263 2,266 2,271 8,275 1312,276 18.911,277 18.911,278 18.911,279 18.911,280 18.911,281 16.158,282 16.011,283 11.257,284 19.49,285 15.375,286 15.375,287 15.375,288 15.375,289 15.375,290 11.205,291 20.72,292 5.442,293 16.401,294 3.606,295 1.602,296 0.715,297 0.157,298 0.157,299 0.157,300 4.073,304 1,305 1,306 748,307 3.162,310 66.041,311 261.048,314 115.741,318 2.13,319 31.361,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.5,331 345,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.187,342 3.097,343 6.073,344 3.731,345 2.805,346 3.818,347 1.151,348 8.905,349 2.595,350 4.041,351 3.031,352 5.52,353 3.626,354 2.655,355 3.646,356 0.149,357 7.483,358 2.567,359 3.739,360 2.892,361 5.311,362 3.326,363 2.392,364 3.15,366 6.869,367 2.258,368 3.584,369 2.65,370 5.231,371 3.188,372 2.244,373 2.847,375 6.512,376 2.07,377 3.297,378 2.382,379 4.74,380 2.903,381 1.959,382 2.55,384 5.285,385 1.829,386 3.185,387 2.097,388 4.466,389 2.684,390 1.742,391 2.396,393 4.448,394 1.601,395 3.021,396 1.583,397 4.381,398 2.458,399 1.528,400 2.272,402 4.383,403 1.405,404 2.877,405 1.516,406 4.232,407 2.386,408 1.429,409 2.033,411 3.8,412 1.354,413 2.671,414 1.32,415 3.501,416 2.19,417 1.203,418 1.749,420 2.634,421 1.182,422 2.592,423 1.118,424 3.478,425 2.037,426 1.102,427 1.637,428 2.544,429 1.027,430 1.904,431 0.959,432 3.175,433 1.496,434 0.607,435 0.718,436 1.451,437 0.534,438 1.822,439 0.589,440 3.147,441 1.314,442 0.41,443 0.609,445 1.079,446 0.364,447 1.107,448 0.41,449 2.653,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.984,457 0.192,458 2.51,459 0.572,460 -0.361,461 -0.462,463 -0.829,464 -0.326,465 13.386,466 0.478,467 0.694,468 0.025,469 41,470 1.464,471 22.5,472 0.804,473 18.5,474 0.661,475 19.435,476 0.694,477 28.614,478 0.665,479 29.11,480 1.04,481 8.148,482 0.291,483 5.416,484 0.193,485 0.084,487 0.336,491 1,493 0.686,494 1.042,495 0.649,496 0.889,497 0.57,498 0.813,499 0.669,500 0.952,501 0.742,502 0.926,503 0.561,504 0.86,505 1.224,506 1.088,507 1.162,508 1.054,509 1.215,510 1.038,511 1.047,512 0.963,513 1.017,514 0.979,515 0.778,516 0.951,517 1.142,518 1.075,519 1.36,520 1.191,521 0.977,522 1.048,523 0.876,524 0.86,525 0.916,526 0.887,527 0.566,528 0.921,529 0.796,530 0.892,531 0.954,532 1.099,533 0.863,534 1.089,535 0.665,536 0.868,537 0.727,538 0.855,539 0.677,540 0.99,541 6.5,542 0.136,543 2.222,544 1.729,545 1.258,546 0.837,547 0.438,548 0.398,549 0.224,550 0.166,551 10848,552 36259,553 2.115,554 34.9,556 10,558 1,559 1,560 3,564 1.707,565 2,566 3.603,567 -0.288,569 1,573 78.287,574 1.821,575 3.824,576 4.711,577 5.269,578 5.269,579 5.269,580 3.101,581 4.45,582 4.775,583 3.781,584 1429.22,585 8.285,586 19470.8,588 1,590 1,591 233.329,592 1.333,593 4.748,594 0.21,595 0.006,596 0.052,597 0.043,598 0.035,599 0.025,600 0.013,601 0.013,602 0.009,603 0.007,604 0.412,605 0.17,606 1,607 0.86,608 142.834,609 -0.058,610 -0.107,611 0.047,612 -0.006,613 -0.068,614 0.01,615 0.152,616 -0.006,617 0.126,618 0.019,619 0.081,620 0.016,621 -0.229,622 -0.081,623 -0.192,624 -0.067,625 -0.196,626 -0.119,627 -0.094,628 -0.027,629 0.028,630 0.025,631 -0.028,632 0.029,633 -0.077,634 -0.028,635 -0.239,636 -0.123,637 -0.07,638 -0.101,639 -0.1,640 -0.017,641 -0.009,642 0.033,643 0.001,644 0.037,645 0.091,646 0.03,647 -0.059,648 -0.171,649 0.016,650 -0.166,651 0.073,652 -0.016,653 0.105,654 0.022,655 0.024,656 0.039,657 1.979,658 5.264,659 0.75,660 30.755,661 1.022,662 1.12,663 3.605,664 12.997,665 0.723,666 3.466,667 3.784,668 4.007,669 4.29,670 4.5,671 4.575,672 4.736,673 4.852,674 4.949,675 5.037,676 7.29,677 0.703,678 394.46,679 3.466,680 5.004,681 5.838,682 6.711,683 7.562,684 8.439,685 9.299,686 10.179,687 11.045,688 11.926,689 9.3,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,730 1,731 43,733 23,734 2,735 31,737 46,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,779 1,781 15,782 7,783 1,784 8,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,846 1,848 28,854 1,855 1,856 1,863 1,869 1,870 4.7,873 1,875 1,877 14,878 8.243,879 6.056,880 2.422,881 4.257,882 1.549,883 1.015,884 5.267,885 12.014,886 3.784,887 4.422,888 4.996,889 5.63,890 6.175,891 6.491,892 6.976,893 7.426,894 7.754,895 8.155,896 1,897 40,898 10.306,900 4.4,901 7.94,902 19.228,904 15.495,905 2.44,906 68.333,909 1,910 164.795,911 160.283,912 68.367,914 36.145,915 14.96,916 31.278,917 129.005,918 200.94,919 83.327,920 8.825,921 22.603,922 75.81,923 91.977,924 40.941,925 20.092,926 184.302,928 164.795,929 197.372,930 51.105,931 31.278,933 179.756,934 36.145,937 50.263,938 96.753,939 50.357,940 31.278,941 179.756,942 104.512,943 160.283,946 164.795,947 66.6,948 93.683,949 18.011,950 101.462,951 164.795,952 119.472,953 160.283,955 0.58,956 0.317,957 0.175,958 0.096,959 21,960 9,961 0.109,962 5,963 1,964 1.095,965 4.104,966 237.402,967 0.095,968 21,969 134.606,970 1,974 18.454,975 7.992,976 4.512,977 1.733,978 119.472,979 15.329,980 12.921,983 1.394,984 2.73,986 18.011,987 444.55,988 43,993 11.202,997 -0.157,999 43.953,1000 48.163,1001 0.336,1002 0.705,1003 0.868,1004 0.971,1005 0.971,1006 0.971,1007 5.001,1008 1.528,1009 5.814,1010 4.448,1011 4.466,1012 5.109,1013 2.272,1014 6.581,1015 4.343,1016 6.219,1017 1.429,1018 7.339,1019 4.383,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.828,1025 7.523,1026 1.203,1027 8.955,1028 3.8,1029 6.019,1030 7.339,1031 3.08,1032 10.403,1033 5.783,1034 8.858,1035 1.102,1036 10.623,1037 2.634,1038 6.33,1039 7.93,1040 3.032,1041 11.97,1042 6.03,1043 10.222,1044 0.607,1045 12.325,1046 2.544,1047 7.824,1048 9.848,1049 4.116,1050 14.536,1051 7.481,1052 11.605,1053 0.41,1054 14.051,1055 1.451,1056 8.514,1057 10.853,1058 4.409,1059 16.473,1060 8.103,1061 13.006,1062 -0.229,1063 15.796,1064 1.079,1065 9.779,1066 12.532,1067 5.282,1068 18.846,1069 9.329,1070 3.064,1071 -0.361,1072 17.555,1073 -0.63,1074 10.666,1075 13.761,1076 5.75,1077 20.958,1078 10.148,1079 2.805,1080 9.801,1081 19.326,1082 -0.829,1083 11.827,1084 15.326,1085 6.513,1086 23.257,1087 11.268,1088 2.655,1089 8.905,1090 21.106,1091 4.453,1092 12.815,1093 16.675,1094 7.068,1095 25.449,1096 12.191,1097 2.392,1098 7.483,1099 22.894,1100 3.818,1101 13.932,1102 18.189,1103 7.776,1104 27.722,1105 13.264,1106 2.244,1107 6.869,1108 24.689,1109 3.646,1110 14.972,1111 19.602,1112 8.374,1113 29.952,1114 14.242,1115 1.959,1116 6.512,1117 26.489,1118 3.15,1119 16.073,1120 21.095,1121 9.053,1122 32.218,1123 15.295,1124 1.742,1125 5.285,1126 28.295,1127 2.847,1128 17.14,1129 22.542,1130 9.674,1131 34.467,1132 16.304,1133 10282,1134 18947,1135 20.978,1136 31.085,1137 46.808,1138 47.325,1139 47.065,1140 46.276,1141 46.281,1142 63.753,1143 6.414,1144 130.39,1145 43.385,1146 5.343,1147 5.536,1148 5.907,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 12.603,1156 1.51,1157 1.527,1158 1.518,1159 1.493,1160 1.493,1161 2.057,1162 0.207,1163 4.206,1164 1.4,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 8.201,1170 4.026,1171 3.922,1172 3.948,1173 3.884,1174 3.846,1175 7.43,1176 3.845,1177 3.785,1178 3.826,1179 3.797,1180 3.649,1181 5.085,1182 3.655,1183 3.566,1184 3.612,1185 3.497,1186 3.352,1187 4.931,1188 3.369,1189 3.274,1190 3.307,1191 3.344,1192 3.159,1193 4.65,1194 3.128,1195 3.186,1196 3.234,1197 3.116,1198 3.033,1199 4.346,1200 3.03,1201 2.897,1202 2.955,1203 2.88,1204 2.795,1205 4.215,1206 2.779,1207 2.889,1208 2.942,1209 2.801,1210 2.733,1211 3.914,1212 2.734,1213 0.146,1214 0.114,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 3.536,1221 0.062,1222 6.343,1223 0.316,1224 4.005,1225 0.094,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.953,1232 1.935,1233 2.016,1234 2.043,1235 1.159,1236 2.037,1237 1.894,1238 1.87,1239 1.998,1240 1.985,1241 1.123,1242 1.992,1243 1.647,1244 1.609,1245 1.74,1246 1.821,1247 0.746,1248 1.797,1249 1.525,1250 1.482,1251 1.722,1252 1.77,1253 0.735,1254 1.76,1255 1.198,1256 1.169,1257 1.436,1258 1.419,1259 0.59,1260 1.422,1261 1.18,1262 1.139,1263 1.25,1264 1.347,1265 0.432,1266 1.379,1267 0.9,1268 0.871,1269 1.103,1270 1.068,1271 0.144,1272 1.077,1273 0.859,1274 0.804,1275 1.074,1276 1.011,1277 0.13,1278 1.045,1279 4.143,1281 5.46,1282 2.398,1283 6.954,1284 4.727,1285 8.531,1286 6.823,1287 10.152,1289 1.448,1291 13.264,1295 0.176,1296 2.695,1297 5.598,1305 30.246,1306 78.287,1307 164.436,1308 202.574,1309 226.574,1310 226.574,1311 226.574,1312 44.155,1313 7.757,1314 77,1315 105.24,1316 23,1317 12.465,1318 4.585,1319 3.7,1320 42.637,1321 121,1322 114,1323 0.169,1324 188.341,1325 318.64,1326 451.312,1327 27043,1328 2.3,1329 19.51,1330 0.697,1331 0.559,1332 18.993,1333 15.664,1334 13.564,1335 0.438,1336 0.299,1337 8.391,1338 12.542,1339 8.126,1340 6.729,1341 13.578,1342 9.272,1343 12.568,1344 0.292,1345 0.164,1346 12.603,1347 7.056,1348 9.776,1349 0.181,1350 0.089,1351 10.19,1352 4.791,1353 8.518,1354 0.118,1355 0.05,1356 9.114,1357 3.585,1358 6.735,1359 0.076,1360 0.026,1361 7.311,1362 2.314,1363 0.271,1364 89.495,1365 0.218,1366 27.169,1367 0.448,1368 148,1369 535.711,1370 192.538,1371 511.374,1372 689.94,1373 478,1374 171,1375 486.519,1376 208.545,1377 501.654,1378 732.58,1379 471,1380 7.215}
{0 CHEMBL1773561,1 1.669,2 12.321,3 4.318,4 18.649,5 109.213,6 8.489,7 0.71,8 3.942,9 4.041,10 3.669,11 3.566,12 5.108,13 3.534,14 4.428,15 4.571,16 4.065,17 3.922,18 5.621,19 3.873,20 4.572,21 4.73,22 3.992,23 3.989,24 5.698,25 3.912,26 4.622,27 4.829,28 3.957,29 3.927,30 5.678,31 3.833,32 4.491,33 4.669,34 3.846,35 3.83,36 5.578,37 3.751,38 4.501,39 4.715,40 3.786,41 3.771,42 5.569,43 3.702,44 4.321,45 4.483,46 3.756,47 3.695,48 5.489,49 3.641,50 4.352,51 4.577,52 3.537,53 3.642,54 5.386,55 3.55,56 0.035,57 0.669,58 7.716,59 4.067,60 6.223,61 4.653,62 0.322,63 1.09,64 16.36,65 6.756,66 24.781,67 8.084,68 0.222,69 1.222,70 20.061,71 8.214,72 33.676,73 9.107,74 0.337,75 1.256,76 24.32,77 8.944,78 36.179,79 10.486,80 0.208,81 1.13,82 21.838,83 7.914,84 23.021,85 8.883,86 0.33,87 1.101,88 21.33,89 7.604,90 33.348,91 8.901,92 0.21,93 0.954,94 15.812,95 6.047,96 24.836,97 6.938,98 0.276,99 0.967,100 16.38,101 6.167,102 29.309,103 7.929,104 12,105 43,106 0.281,107 0.619,108 0.772,109 0.882,110 0.889,111 0.889,112 3.374,113 0.927,114 -4.68,115 -4.6,116 -4.32,119 45.7,120 2,125 1,142 8,143 3,145 1,146 2,150 1,152 1,158 1,162 1,172 10,174 3,175 7,178 2,180 2,183 12,187 6,195 10,198 1,199 11,204 2,207 4,212 11,217 2,220 1,223 1,224 9,232 4,237 8,240 1,242 1,245 8,249 2,258 9,262 1,263 2,266 2,271 12,275 1312,276 18.911,277 18.911,278 18.911,279 18.911,280 18.911,281 16.158,282 16.809,283 11.257,284 19.427,285 15.375,286 15.375,287 15.375,288 15.375,289 15.375,290 11.205,291 22.012,292 5.442,293 16.279,294 3.854,295 1.854,296 0.946,297 0.294,298 0.25,299 0.25,300 4.073,304 1,305 1,306 748,307 3.162,310 66.041,311 261.048,314 115.741,318 2.13,319 22.099,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60,331 345,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.187,342 3.088,343 6.073,344 3.732,345 2.805,346 3.818,347 1.151,348 8.905,349 2.64,350 4.041,351 2.997,352 5.52,353 3.645,354 2.655,355 3.646,356 0.149,357 7.483,358 2.579,359 3.739,360 2.797,361 5.311,362 3.327,363 2.392,364 3.15,366 6.869,367 2.259,368 3.584,369 2.569,370 5.231,371 3.193,372 2.244,373 2.847,375 6.512,376 2.088,377 3.297,378 2.248,379 4.74,380 2.946,381 1.959,382 2.55,384 5.285,385 1.928,386 3.185,387 2.091,388 4.466,389 2.685,390 1.742,391 2.396,393 4.448,394 1.603,395 3.021,396 1.573,397 4.381,398 2.458,399 1.528,400 2.272,402 4.383,403 1.406,404 2.877,405 1.514,406 4.232,407 2.387,408 1.429,409 2.033,411 3.8,412 1.356,413 2.671,414 1.281,415 3.501,416 2.199,417 1.203,418 1.749,420 2.634,421 1.198,422 2.592,423 1.118,424 3.478,425 2.037,426 1.102,427 1.637,428 2.544,429 1.027,430 1.904,431 0.959,432 3.175,433 1.496,434 0.607,435 0.718,436 1.451,437 0.534,438 1.822,439 0.589,440 3.147,441 1.314,442 0.41,443 0.609,445 1.079,446 0.364,447 1.107,448 0.41,449 2.653,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.984,457 -0.019,458 2.51,459 0.619,460 -0.361,461 -0.462,463 -0.829,464 -0.349,465 13.6,466 0.486,467 0.694,468 0.025,469 40.75,470 1.455,471 22.5,472 0.804,473 18.25,474 0.652,475 20.311,476 0.725,477 28.4,478 0.617,479 28.234,480 1.008,481 7.985,482 0.285,483 5.579,484 0.199,485 0.098,487 0.331,493 0.775,494 1.172,495 0.694,496 0.911,497 0.649,498 0.847,499 0.674,500 0.954,501 0.739,502 0.88,503 0.557,504 0.823,505 1.219,506 1.161,507 1.14,508 1.107,509 1.291,510 1.085,511 1.056,512 0.971,513 0.963,514 0.955,515 0.702,516 0.93,517 1.148,518 1.267,519 1.263,520 1.284,521 0.769,522 1.102,523 1.349,524 0.858,525 0.887,526 0.75,527 0.805,528 0.775,529 1.106,530 1.221,531 0.985,532 1.148,533 1.251,534 1.085,535 0.863,536 0.792,537 0.818,538 0.762,539 0.849,540 0.929,541 6.5,542 0.136,543 2.222,544 1.729,545 1.258,546 0.837,547 0.438,548 0.398,549 0.224,550 0.166,551 10848,552 30847,553 2.115,554 39.1,555 3,556 10,558 1,559 1,560 3,564 1.707,565 2,566 3.603,567 -0.323,569 1,573 76.787,574 1.669,575 3.67,576 4.578,577 5.23,578 5.273,579 5.273,580 3.101,581 4.45,582 4.775,583 3.781,584 1429.22,585 8.285,586 19470.8,588 1,590 1,591 254.084,592 1.333,593 4.748,594 0.21,595 0.006,596 0.052,597 0.043,598 0.035,599 0.025,600 0.013,601 0.013,602 0.009,603 0.007,604 0.412,605 0.17,606 1,607 0.86,608 142.834,609 -0.043,610 -0.124,611 0.062,612 -0.006,613 -0.086,614 0.011,615 0.294,616 0.086,617 0.176,618 0.081,619 0.163,620 0.081,621 -0.198,622 -0.138,623 -0.177,624 -0.125,625 -0.215,626 -0.167,627 -0.021,628 0.021,629 0.076,630 0.048,631 0.038,632 0.053,633 -0.113,634 -0.244,635 -0.16,636 -0.232,637 -0.022,638 -0.144,639 -0.15,640 0.126,641 0.08,642 0.193,643 0.017,644 0.192,645 -0.059,646 -0.203,647 -0.083,648 -0.217,649 -0.124,650 -0.177,651 -0.006,652 0.205,653 -0.008,654 0.09,655 -0.068,656 0.031,657 1.8,658 4.223,659 0.75,660 30.755,661 1.007,662 1.114,663 3.448,664 11.889,665 0.715,666 3.466,667 3.784,668 4.007,669 4.29,670 4.5,671 4.575,672 4.736,673 4.852,674 4.949,675 5.037,676 7.29,677 0.682,678 390.5,679 3.466,680 5.004,681 5.838,682 6.711,683 7.562,684 8.439,685 9.299,686 10.179,687 11.045,688 11.926,689 8.7,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 46,733 23,734 2,735 31,737 49,738 21,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 3,766 1,771 1,775 1,778 1,781 18,782 6,783 1,784 7,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 2,848 28,854 1,855 1,856 1,863 1,870 4.3,873 1,875 1,877 14,878 9.1,879 6.056,880 2.636,881 4.257,882 1.549,883 1.009,884 5.312,885 12.014,886 3.784,887 4.422,888 4.996,889 5.63,890 6.175,891 6.491,892 6.976,893 7.426,894 7.754,895 8.155,896 1,897 40,898 10.289,900 4.317,901 7.726,902 19.582,904 15.769,905 2.226,906 62.333,909 1,910 200.109,911 163.172,912 68.367,914 36.145,916 31.278,917 131.895,918 236.254,919 68.367,920 17.65,921 22.603,922 75.81,923 91.977,924 35.006,925 5.132,926 219.615,928 200.109,929 200.262,930 36.145,931 31.278,933 200.109,934 36.145,937 59.088,938 90.817,939 50.357,940 31.278,941 200.109,942 104.512,943 163.172,946 200.109,947 60.665,948 102.508,949 18.011,950 86.501,951 200.109,952 104.512,953 163.172,955 0.58,956 0.317,957 0.175,958 0.096,959 21,960 9,961 0.102,962 5,963 1,964 1.095,965 4.104,966 237.402,967 0.095,968 21,969 130.606,970 1,974 18.516,975 8.032,976 4.54,977 1.81,978 104.512,979 17.553,980 13.139,983 1.43,984 4.892,986 18.011,987 467.793,988 43,993 11.223,997 -0.134,999 46.323,1000 51.238,1001 0.302,1002 0.664,1003 0.829,1004 0.947,1005 0.955,1006 0.955,1007 5.001,1008 1.528,1009 5.814,1010 4.448,1011 4.466,1012 5.109,1013 2.272,1014 6.581,1015 4.359,1016 6.219,1017 1.429,1018 7.339,1019 4.383,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.866,1025 7.523,1026 1.203,1027 8.955,1028 3.8,1029 6.019,1030 7.339,1031 3.08,1032 10.403,1033 5.81,1034 8.858,1035 1.102,1036 10.623,1037 2.634,1038 6.33,1039 7.93,1040 3.032,1041 11.97,1042 6.075,1043 10.222,1044 0.607,1045 12.325,1046 2.544,1047 7.824,1048 9.848,1049 4.116,1050 14.536,1051 7.517,1052 11.605,1053 0.41,1054 14.051,1055 1.451,1056 8.514,1057 10.853,1058 4.409,1059 16.473,1060 8.151,1061 13.006,1062 -0.229,1063 15.796,1064 1.079,1065 9.779,1066 12.532,1067 5.282,1068 18.846,1069 9.371,1070 3.064,1071 -0.361,1072 17.555,1073 -0.63,1074 10.666,1075 13.761,1076 5.75,1077 20.958,1078 10.197,1079 2.805,1080 9.801,1081 19.326,1082 -0.829,1083 11.827,1084 15.326,1085 6.513,1086 23.257,1087 11.315,1088 2.655,1089 8.905,1090 21.106,1091 4.453,1092 12.815,1093 16.675,1094 7.068,1095 25.449,1096 12.241,1097 2.392,1098 7.483,1099 22.894,1100 3.818,1101 13.932,1102 18.189,1103 7.776,1104 27.722,1105 13.312,1106 2.244,1107 6.869,1108 24.689,1109 3.646,1110 14.972,1111 19.602,1112 8.374,1113 29.952,1114 14.292,1115 1.959,1116 6.512,1117 26.489,1118 3.15,1119 16.073,1120 21.095,1121 9.053,1122 32.218,1123 15.344,1124 1.742,1125 5.285,1126 28.295,1127 2.847,1128 17.14,1129 22.542,1130 9.674,1131 34.467,1132 16.354,1133 10282,1134 17537,1135 20.978,1136 32.909,1137 46.808,1138 47.252,1139 47.065,1140 46.189,1141 46.281,1142 63.753,1143 6.414,1144 130.39,1145 43.773,1146 5.343,1147 5.536,1148 5.907,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 12.603,1156 1.51,1157 1.524,1158 1.518,1159 1.49,1160 1.493,1161 2.057,1162 0.207,1163 4.206,1164 1.412,1165 4.083,1166 4.101,1167 4.323,1168 4.062,1169 7.43,1170 4.026,1171 3.935,1172 3.963,1173 3.885,1174 3.876,1175 5.087,1176 3.869,1177 3.787,1178 3.828,1179 3.797,1180 3.65,1181 4.931,1182 3.657,1183 3.567,1184 3.612,1185 3.497,1186 3.353,1187 4.739,1188 3.37,1189 3.308,1190 3.358,1191 3.344,1192 3.167,1193 4.36,1194 3.148,1195 3.215,1196 3.264,1197 3.14,1198 3.114,1199 4.229,1200 3.085,1201 3.084,1202 3.154,1203 2.916,1204 2.921,1205 3.915,1206 2.906,1207 2.89,1208 2.942,1209 2.863,1210 2.795,1211 3.878,1212 2.778,1213 0.146,1214 0.114,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 3.536,1221 0.062,1222 6.343,1223 0.316,1224 4.005,1225 0.094,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.954,1232 1.936,1233 2.056,1234 2.045,1235 1.183,1236 2.043,1237 1.926,1238 1.9,1239 2.007,1240 2,1241 1.157,1242 2.015,1243 1.648,1244 1.611,1245 1.742,1246 1.823,1247 0.761,1248 1.8,1249 1.525,1250 1.482,1251 1.723,1252 1.77,1253 0.738,1254 1.761,1255 1.286,1256 1.227,1257 1.587,1258 1.497,1259 0.711,1260 1.527,1261 1.195,1262 1.168,1263 1.395,1264 1.353,1265 0.49,1266 1.382,1267 1.093,1268 1.029,1269 1.25,1270 1.316,1271 0.432,1272 1.347,1273 0.9,1274 0.871,1275 1.074,1276 1.012,1277 0.13,1278 1.045,1279 4.143,1281 5.46,1282 2.398,1283 6.954,1284 4.727,1285 8.531,1286 6.823,1287 10.152,1289 3.518,1295 0.416,1296 2.722,1297 5.765,1305 31.39,1306 76.787,1307 168.8,1308 210.574,1309 240.574,1310 242.574,1311 242.574,1312 37.479,1313 7.757,1314 77,1315 105.24,1316 23,1317 12.465,1318 4.585,1319 3.7,1320 42.637,1321 121,1322 114,1323 0.169,1324 196.735,1325 329.87,1326 471.794,1327 27043,1329 19.51,1330 0.697,1331 0.582,1332 19.863,1333 16.286,1334 13.564,1335 0.438,1336 0.309,1337 8.728,1338 12.661,1339 8.37,1340 6.987,1341 13.972,1342 9.583,1343 12.568,1344 0.292,1345 0.172,1346 13.237,1347 7.416,1348 9.776,1349 0.181,1350 0.092,1351 10.51,1352 4.985,1353 8.518,1354 0.118,1355 0.052,1356 9.46,1357 3.76,1358 6.735,1359 0.076,1360 0.027,1361 7.481,1362 2.4,1363 0.271,1364 88.629,1365 0.218,1366 27.169,1367 0.448,1368 148,1369 449.6,1370 188.707,1371 458.138,1372 631.14,1373 430,1374 171,1375 453.186,1376 205.635,1377 476.862,1378 695.44,1379 447,1380 7.328}
{0 CHEMBL1773562,1 1.821,2 12.893,3 4.038,4 16.303,5 104.389,6 9.173,7 0.71,8 3.895,9 3.985,10 3.677,11 3.513,12 5.132,13 3.5,14 4.372,15 4.497,16 4.08,17 3.863,18 5.677,19 3.837,20 4.531,21 4.686,22 4.006,23 3.908,24 5.778,25 3.861,26 4.522,27 4.708,28 3.943,29 3.829,30 5.698,31 3.764,32 4.396,33 4.567,34 3.836,35 3.744,36 5.536,37 3.69,38 4.381,39 4.559,40 3.807,41 3.712,42 5.638,43 3.665,44 4.288,45 4.451,46 3.735,47 3.645,48 5.489,49 3.6,50 4.279,51 4.491,52 3.568,53 3.567,54 5.476,55 3.489,56 0.101,57 0.703,58 5.727,59 3.731,60 8.49,61 3.79,62 0.373,63 1.127,64 12.759,65 6.131,66 23.144,67 6.537,68 0.429,69 1.298,70 18.023,71 7.757,72 50.528,73 7.423,74 0.494,75 1.225,76 20.127,77 7.827,78 48.684,79 7.974,80 0.343,81 1.071,82 19.44,83 7.118,84 29.117,85 7.267,86 0.502,87 1.081,88 15.836,89 6.413,90 45.46,91 6.655,92 0.314,93 0.957,94 14.087,95 5.784,96 30.417,97 6.063,98 0.4,99 0.973,100 14.233,101 6.033,102 40.821,103 7.599,104 12,105 43,106 0.311,107 0.653,108 0.788,109 0.868,110 0.868,111 0.868,112 3.374,113 0.897,114 -4.84,115 -4.74,116 -4.45,119 46.5,120 1,125 1,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 7,174 3,175 7,178 2,180 2,183 8,187 6,195 7,198 1,199 11,204 2,207 3,212 9,217 2,220 1,223 1,224 9,232 4,237 4,240 1,242 1,245 8,249 2,258 9,262 1,263 2,266 2,271 8,275 1326,276 18.911,277 18.911,278 18.911,279 18.911,280 18.911,281 16.158,282 16.011,283 11.224,284 19.49,285 15.358,286 15.358,287 15.358,288 15.358,289 15.358,290 11.199,291 19.733,292 5.427,293 16.388,294 3.606,295 1.602,296 0.808,297 0.343,298 0.343,299 0.343,300 4.073,304 1,305 1,306 784,307 3.162,310 66.485,311 262.582,314 116.555,318 2.115,319 30.914,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.5,331 361,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.187,342 3.089,343 6.073,344 3.73,345 2.804,346 3.818,347 1.151,348 8.905,349 2.588,350 4.012,351 3.009,352 5.447,353 3.596,354 2.623,355 3.614,356 0.149,357 7.248,358 2.549,359 3.74,360 2.889,361 5.297,362 3.326,363 2.393,364 3.151,366 6.825,367 2.258,368 3.586,369 2.681,370 5.226,371 3.194,372 2.25,373 2.849,375 6.505,376 2.078,377 3.404,378 2.43,379 4.879,380 3.003,381 2.059,382 2.695,384 5.665,385 1.921,386 3.187,387 2.099,388 4.467,389 2.686,390 1.743,391 2.397,393 4.45,394 1.603,395 3.022,396 1.582,397 4.381,398 2.458,399 1.528,400 2.273,402 4.383,403 1.405,404 2.877,405 1.515,406 4.233,407 2.386,408 1.429,409 2.033,411 3.803,412 1.354,413 2.593,414 1.166,415 3.492,416 2.038,417 1.104,418 1.637,420 2.559,421 1.028,422 2.5,423 1.082,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.908,431 1,432 3.194,433 1.58,434 0.693,435 0.806,436 1.617,437 0.607,438 1.888,439 0.589,440 3.156,441 1.314,442 0.41,443 0.61,445 1.08,446 0.364,447 1.155,448 0.45,449 2.653,450 0.773,451 -0.128,452 -0.155,454 -0.284,455 -0.112,456 1.105,457 0.409,458 2.51,459 0.692,460 -0.23,461 -0.277,463 -0.631,464 -0.208,465 13.386,466 0.478,467 0.694,468 0.025,469 41,470 1.464,471 22.5,472 0.804,473 18.5,474 0.661,475 19.37,476 0.692,477 28.614,478 0.665,479 29.034,480 1.037,481 8.148,482 0.291,483 5.416,484 0.193,485 0.084,487 0.336,491 1,493 0.686,494 1.042,495 0.649,496 0.889,497 0.57,498 0.813,499 0.669,500 0.952,501 0.742,502 0.926,503 0.562,504 0.86,505 1.224,506 1.088,507 1.162,508 1.054,509 1.2,510 1.038,511 1.073,512 0.918,513 1.066,514 0.975,515 0.813,516 0.979,517 0.921,518 1.002,519 1.245,520 1.194,521 0.584,522 1.012,523 0.972,524 0.892,525 0.987,526 0.883,527 0.805,528 0.95,529 0.864,530 0.948,531 0.987,532 1.1,533 0.86,534 1.092,535 0.489,536 0.711,537 0.705,538 0.849,539 0.56,540 1.013,541 6.5,542 0.165,543 2.444,544 1.479,545 1.258,546 0.893,547 0.395,548 0.43,549 0.244,550 0.152,551 10944,552 36931,553 2.115,554 34.9,556 10,558 1,559 1,560 3,564 1.706,565 2,566 3.651,567 -0.288,569 1,573 78.287,574 1.821,575 3.824,576 4.618,577 5.083,578 5.083,579 5.083,580 3.128,581 4.379,582 4.774,583 3.807,584 1438.9,585 8.282,586 19635.7,588 1,590 1,591 233.329,592 1.333,593 4.748,594 0.21,595 0.008,596 0.057,597 0.037,598 0.036,599 0.026,600 0.012,601 0.014,602 0.009,603 0.006,604 0.416,605 0.17,606 1,607 0.86,608 143.061,609 -0.058,610 -0.107,611 0.047,612 -0.006,613 -0.068,614 0.01,615 0.152,616 -0.006,617 0.126,618 0.019,619 0.081,620 0.016,621 -0.229,622 -0.081,623 -0.192,624 -0.067,625 -0.181,626 -0.119,627 -0.12,628 0.019,629 -0.022,630 0.03,631 -0.064,633 -0.122,634 -0.146,635 -0.134,636 -0.135,637 -0.031,638 -0.031,639 -0.013,640 0.082,641 -0.073,642 0.043,643 0.004,644 -0.015,645 -0.079,646 -0.099,647 -0.097,648 -0.175,649 -0.116,650 -0.157,651 0.253,652 0.144,653 0.127,654 0.028,655 0.143,656 0.016,657 1.956,658 4.976,659 0.75,660 31.362,661 1.022,662 1.12,663 3.605,664 12.997,665 0.723,666 3.466,667 3.784,668 4.007,669 4.277,670 4.511,671 4.575,672 4.727,673 4.86,674 4.942,675 5.037,676 7.371,677 0.703,678 394.46,679 3.466,680 5.004,681 5.838,682 6.708,683 7.561,684 8.435,685 9.297,686 10.174,687 11.042,688 11.921,689 9.3,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,730 1,731 43,733 23,734 2,735 31,737 46,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,779 1,781 15,782 7,783 1,784 8,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,846 1,848 28,854 1,855 1,856 1,863 1,869 1,870 4.7,873 1,875 1,877 14,878 8.243,879 6.056,880 2.422,881 4.247,882 1.548,883 1.015,884 5.267,885 12.004,886 3.784,887 4.422,888 4.996,889 5.622,890 6.185,891 6.49,892 6.972,893 7.429,894 7.751,895 8.155,896 0.889,897 40,898 10.298,900 4.392,901 7.94,902 19.228,904 15.495,905 2.44,906 68.333,909 1,910 164.795,911 160.283,912 68.367,914 36.145,915 14.96,916 31.278,917 129.005,918 200.94,919 83.327,920 8.825,921 22.603,922 75.81,923 91.977,924 40.941,925 20.092,926 184.302,928 164.795,929 197.372,930 51.105,931 31.278,933 179.756,934 36.145,937 50.263,938 96.753,939 50.357,940 31.278,941 179.756,942 104.512,943 160.283,946 164.795,947 66.6,948 93.683,949 18.011,950 101.462,951 164.795,952 119.472,953 160.283,955 0.581,956 0.317,957 0.171,958 0.098,959 21,960 9,961 0.109,962 5,963 1,964 1.095,965 4.116,966 236.766,967 0.095,968 21,969 130.606,970 1,974 18.454,975 7.992,976 4.512,977 1.744,978 119.472,979 15.255,980 12.954,983 1.399,984 2.935,986 18.011,987 444.55,988 43,993 11.203,997 -0.155,999 43.953,1000 48.163,1001 0.336,1002 0.705,1003 0.851,1004 0.937,1005 0.937,1006 0.937,1007 5.001,1008 1.528,1009 5.814,1010 4.45,1011 4.466,1012 5.109,1013 2.272,1014 6.578,1015 4.343,1016 6.219,1017 1.429,1018 7.339,1019 4.383,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.828,1025 7.523,1026 1.104,1027 8.954,1028 3.803,1029 6.019,1030 7.339,1031 3.08,1032 10.393,1033 5.783,1034 8.858,1035 1,1036 10.621,1037 2.559,1038 6.33,1039 7.93,1040 3.032,1041 11.962,1042 6.03,1043 10.221,1044 0.693,1045 12.322,1046 2.275,1047 7.821,1048 9.846,1049 4.116,1050 14.521,1051 7.479,1052 11.605,1053 0.41,1054 14.047,1055 1.617,1056 8.509,1057 10.848,1058 4.409,1059 16.46,1060 8.097,1061 13.005,1062 -0.128,1063 15.791,1064 1.08,1065 9.772,1066 12.528,1067 5.282,1068 18.831,1069 9.322,1070 3.064,1071 -0.23,1072 17.548,1073 -0.284,1074 10.656,1075 13.754,1076 5.75,1077 20.945,1078 10.137,1079 2.804,1080 9.801,1081 19.318,1082 -0.631,1083 11.816,1084 15.32,1085 6.513,1086 23.244,1087 11.257,1088 2.623,1089 8.905,1090 21.097,1091 4.453,1092 12.802,1093 16.669,1094 7.068,1095 25.438,1096 12.176,1097 2.393,1098 7.248,1099 22.884,1100 3.818,1101 13.919,1102 18.183,1103 7.776,1104 27.712,1105 13.249,1106 2.25,1107 6.825,1108 24.678,1109 3.614,1110 14.958,1111 19.596,1112 8.374,1113 29.944,1114 14.226,1115 2.059,1116 6.505,1117 26.479,1118 3.151,1119 16.059,1120 21.089,1121 9.053,1122 32.211,1123 15.28,1124 1.743,1125 5.665,1126 28.284,1127 2.849,1128 17.127,1129 22.536,1130 9.674,1131 34.461,1132 16.288,1133 10372,1134 19199,1135 20.978,1136 31.085,1137 46.776,1138 47.512,1139 47.076,1140 46.224,1141 46.202,1142 63.671,1143 6.414,1144 130.232,1145 43.321,1146 5.342,1147 5.536,1148 5.895,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 12.694,1156 1.509,1157 1.533,1158 1.519,1159 1.491,1160 1.49,1161 2.054,1162 0.207,1163 4.201,1164 1.397,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 8.201,1170 4.026,1171 3.922,1172 3.948,1173 3.883,1174 3.846,1175 7.43,1176 3.844,1177 3.785,1178 3.826,1179 3.797,1180 3.649,1181 5.085,1182 3.656,1183 3.566,1184 3.612,1185 3.497,1186 3.352,1187 4.931,1188 3.37,1189 3.278,1190 3.31,1191 3.344,1192 3.159,1193 4.649,1194 3.128,1195 3.19,1196 3.238,1197 3.137,1198 3.032,1199 4.341,1200 3.035,1201 2.891,1202 2.943,1203 2.882,1204 2.795,1205 4.205,1206 2.779,1207 2.854,1208 2.925,1209 2.711,1210 2.735,1211 3.914,1212 2.715,1213 0.146,1214 0.114,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 3.536,1221 0.062,1222 6.343,1223 0.316,1224 4.005,1225 0.094,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.953,1232 1.935,1233 2.017,1234 2.043,1235 1.159,1236 2.037,1237 1.894,1238 1.87,1239 1.998,1240 1.985,1241 1.124,1242 1.992,1243 1.647,1244 1.609,1245 1.739,1246 1.821,1247 0.746,1248 1.797,1249 1.525,1250 1.482,1251 1.722,1252 1.77,1253 0.735,1254 1.76,1255 1.197,1256 1.169,1257 1.416,1258 1.42,1259 0.576,1260 1.416,1261 1.173,1262 1.135,1263 1.25,1264 1.347,1265 0.432,1266 1.378,1267 0.9,1268 0.871,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.011,1277 0.13,1278 1.045,1279 4.143,1281 5.46,1282 2.398,1283 6.954,1284 4.727,1285 8.529,1286 6.823,1287 10.148,1289 1.45,1291 12.976,1295 0.248,1296 2.698,1297 5.628,1305 30.246,1306 78.287,1307 164.436,1308 198.574,1309 218.574,1310 218.574,1311 218.574,1312 43.556,1313 7.757,1314 77,1315 105.24,1316 23,1317 12.46,1318 4.585,1319 3.7,1320 42.663,1321 122,1322 130,1323 0.168,1324 188.341,1325 318.64,1326 451.312,1327 27043,1328 2.3,1329 19.51,1330 0.697,1331 0.559,1332 18.993,1333 15.664,1334 13.564,1335 0.438,1336 0.299,1337 8.391,1338 12.542,1339 8.127,1340 6.728,1341 13.578,1342 9.272,1343 12.556,1344 0.292,1345 0.164,1346 12.603,1347 7.053,1348 9.866,1349 0.183,1350 0.089,1351 10.19,1352 4.815,1353 8.314,1354 0.117,1355 0.05,1356 9.114,1357 3.539,1358 6.849,1359 0.076,1360 0.026,1361 7.311,1362 2.343,1363 0.269,1364 89.495,1365 0.218,1366 27.225,1367 0.442,1368 148,1369 535.711,1370 192.538,1371 511.309,1372 689.92,1373 478,1374 171,1375 486.519,1376 208.545,1377 501.518,1378 732.31,1379 471,1380 6.851}
{0 CHEMBL1773563,1 1.669,2 12.893,3 4.318,4 18.649,5 109.213,6 8.489,7 0.71,8 3.942,9 4.041,10 3.669,11 3.566,12 5.108,13 3.534,14 4.428,15 4.571,16 4.065,17 3.922,18 5.621,19 3.873,20 4.572,21 4.73,22 3.992,23 3.989,24 5.7,25 3.912,26 4.622,27 4.828,28 3.941,29 3.919,30 5.684,31 3.821,32 4.487,33 4.683,34 3.83,35 3.806,36 5.544,37 3.729,38 4.398,39 4.576,40 3.793,41 3.759,42 5.531,43 3.696,44 4.4,45 4.588,46 3.73,47 3.697,48 5.515,49 3.636,50 4.303,51 4.515,52 3.537,53 3.622,54 5.337,55 3.528,56 0.035,57 0.669,58 7.716,59 4.067,60 6.223,61 4.653,62 0.322,63 1.09,64 16.36,65 6.756,66 24.751,67 8.084,68 0.222,69 1.222,70 20.061,71 8.214,72 33.534,73 9.107,74 0.333,75 1.255,76 24.211,77 8.941,78 37.059,79 10.476,80 0.249,81 1.119,82 23.179,83 8.013,84 25.046,85 9.109,86 0.205,87 1.031,88 16.699,89 6.587,90 23.821,91 7.623,92 0.314,93 0.997,94 18.966,95 6.69,96 32.744,97 7.616,98 0.201,99 0.902,100 15.1,101 6.29,102 22.932,103 8.187,104 12,105 43,106 0.281,107 0.619,108 0.75,109 0.845,110 0.86,111 0.86,112 3.374,113 0.927,114 -4.68,115 -4.6,116 -4.32,119 45.7,120 2,125 1,142 8,143 3,145 1,146 2,150 1,152 1,158 1,162 1,172 10,174 3,175 7,178 2,180 2,183 12,187 6,195 10,198 1,199 11,204 2,207 4,212 10,217 2,220 1,223 1,224 10,232 4,237 6,240 1,242 1,245 8,249 2,250 2,258 9,262 1,263 2,266 2,271 10,275 1326,276 18.911,277 18.911,278 18.911,279 18.911,280 18.911,281 16.158,282 16.809,283 11.224,284 19.427,285 15.358,286 15.358,287 15.358,288 15.358,289 15.358,290 11.199,291 20.542,292 5.427,293 16.262,294 3.854,295 1.854,296 1.076,297 0.511,298 0.424,299 0.424,300 4.073,304 1,305 1,306 784,307 3.162,310 66.485,311 262.582,314 116.555,318 2.115,319 22.083,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60,331 361,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.187,342 3.086,343 6.073,344 3.73,345 2.804,346 3.818,347 1.151,348 8.905,349 2.608,350 4.012,351 2.989,352 5.447,353 3.612,354 2.623,355 3.614,356 0.149,357 7.248,358 2.576,359 3.74,360 2.777,361 5.297,362 3.328,363 2.393,364 3.151,366 6.825,367 2.259,368 3.586,369 2.57,370 5.226,371 3.205,372 2.25,373 2.849,375 6.505,376 2.125,377 3.404,378 2.328,379 4.879,380 3.043,381 2.059,382 2.695,384 5.665,385 2.003,386 3.187,387 2.096,388 4.467,389 2.686,390 1.743,391 2.397,393 4.45,394 1.603,395 3.022,396 1.576,397 4.381,398 2.458,399 1.528,400 2.273,402 4.383,403 1.405,404 2.877,405 1.514,406 4.233,407 2.387,408 1.429,409 2.033,411 3.803,412 1.355,413 2.593,414 1.146,415 3.492,416 2.038,417 1.104,418 1.637,420 2.559,421 1.028,422 2.5,423 1.062,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.908,431 1,432 3.194,433 1.593,434 0.693,435 0.806,436 1.617,437 0.617,438 1.888,439 0.589,440 3.156,441 1.314,442 0.41,443 0.61,445 1.08,446 0.364,447 1.155,448 0.41,449 2.653,450 0.833,451 -0.128,452 -0.155,454 -0.284,455 -0.122,456 1.105,457 0.233,458 2.51,459 0.692,460 -0.23,461 -0.277,463 -0.631,464 -0.208,465 13.6,466 0.486,467 0.694,468 0.025,469 40.75,470 1.455,471 22.5,472 0.804,473 18.25,474 0.652,475 20.2,476 0.721,477 28.4,478 0.617,479 28.205,480 1.007,481 7.985,482 0.285,483 5.579,484 0.199,485 0.098,487 0.331,493 0.775,494 1.172,495 0.694,496 0.911,497 0.649,498 0.847,499 0.674,500 0.954,501 0.739,502 0.88,503 0.558,504 0.823,505 1.219,506 1.161,507 1.14,508 1.107,509 1.285,510 1.085,511 1.06,512 1.003,513 0.99,514 0.992,515 0.719,516 0.975,517 1.16,518 1.119,519 1.182,520 1.12,521 0.762,522 0.929,523 1.151,524 1.1,525 0.968,526 0.993,527 0.766,528 0.995,529 1.381,530 0.973,531 0.982,532 0.958,533 1.307,534 0.94,535 0.645,536 0.99,537 0.741,538 0.905,539 0.708,540 1.015,541 6.5,542 0.165,543 2.444,544 1.479,545 1.258,546 0.893,547 0.395,548 0.43,549 0.244,550 0.152,551 10944,552 31015,553 2.115,554 39.1,555 3,556 10,558 1,559 1,560 3,564 1.706,565 2,566 3.651,567 -0.323,569 1,573 76.787,574 1.669,575 3.67,576 4.447,577 5.012,578 5.099,579 5.099,580 3.128,581 4.379,582 4.774,583 3.807,584 1438.9,585 8.282,586 19635.7,588 1,590 1,591 254.084,592 1.333,593 4.748,594 0.21,595 0.008,596 0.057,597 0.037,598 0.036,599 0.026,600 0.012,601 0.014,602 0.009,603 0.006,604 0.416,605 0.17,606 1,607 0.86,608 143.061,609 -0.043,610 -0.124,611 0.062,612 -0.006,613 -0.086,614 0.011,615 0.294,616 0.086,617 0.176,618 0.081,619 0.161,620 0.081,621 -0.198,622 -0.138,623 -0.177,624 -0.125,625 -0.208,626 -0.167,627 -0.026,628 -0.011,629 0.049,630 0.01,631 0.022,632 0.007,633 -0.108,634 -0.103,635 -0.043,636 -0.054,638 0.055,639 -0.11,640 -0.072,641 -0.063,642 -0.072,643 0.027,644 -0.08,645 -0.142,646 0.014,647 -0.03,648 -0.013,649 -0.167,651 0.126,652 -0.046,653 0.057,654 -0.029,655 0.035,656 -0.032,657 1.801,658 4.221,659 0.75,660 31.362,661 1.007,662 1.114,663 3.448,664 11.889,665 0.715,666 3.466,667 3.784,668 4.007,669 4.277,670 4.511,671 4.575,672 4.727,673 4.86,674 4.942,675 5.037,676 7.371,677 0.682,678 390.5,679 3.466,680 5.004,681 5.838,682 6.708,683 7.561,684 8.435,685 9.297,686 10.174,687 11.042,688 11.921,689 8.7,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 46,733 23,734 2,735 31,737 49,738 21,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 3,766 1,771 1,775 1,778 1,781 18,782 6,783 1,784 7,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 2,848 28,854 1,855 1,856 1,863 1,870 4.3,873 1,875 1,877 14,878 9.1,879 6.056,880 2.636,881 4.247,882 1.548,883 1.009,884 5.312,885 12.004,886 3.784,887 4.422,888 4.996,889 5.622,890 6.185,891 6.49,892 6.972,893 7.429,894 7.751,895 8.155,896 0.889,897 40,898 10.288,900 4.317,901 7.726,902 19.582,904 15.769,905 2.226,906 62.333,909 1,910 200.109,911 163.172,912 68.367,914 36.145,916 31.278,917 131.895,918 236.254,919 68.367,920 17.65,921 22.603,922 75.81,923 91.977,924 35.006,925 5.132,926 219.615,928 200.109,929 200.262,930 36.145,931 31.278,933 200.109,934 36.145,937 59.088,938 90.817,939 50.357,940 31.278,941 200.109,942 104.512,943 163.172,946 200.109,947 60.665,948 102.508,949 18.011,950 86.501,951 200.109,952 104.512,953 163.172,955 0.581,956 0.317,957 0.171,958 0.098,959 21,960 9,961 0.102,962 5,963 1,964 1.095,965 4.116,966 236.766,967 0.095,968 21,969 130.606,970 1,974 18.516,975 8.032,976 4.54,977 1.81,978 104.512,979 17.567,980 13.128,983 1.43,984 4.905,986 18.011,987 467.793,988 43,993 11.221,997 -0.134,999 46.323,1000 51.238,1001 0.302,1002 0.664,1003 0.805,1004 0.907,1005 0.923,1006 0.923,1007 5.001,1008 1.528,1009 5.814,1010 4.45,1011 4.466,1012 5.109,1013 2.272,1014 6.578,1015 4.359,1016 6.219,1017 1.429,1018 7.339,1019 4.383,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.866,1025 7.523,1026 1.104,1027 8.954,1028 3.803,1029 6.019,1030 7.339,1031 3.08,1032 10.393,1033 5.81,1034 8.858,1035 1,1036 10.621,1037 2.559,1038 6.33,1039 7.93,1040 3.032,1041 11.962,1042 6.075,1043 10.221,1044 0.693,1045 12.322,1046 2.275,1047 7.821,1048 9.846,1049 4.116,1050 14.521,1051 7.513,1052 11.605,1053 0.41,1054 14.047,1055 1.617,1056 8.509,1057 10.848,1058 4.409,1059 16.46,1060 8.143,1061 13.005,1062 -0.128,1063 15.791,1064 1.08,1065 9.772,1066 12.528,1067 5.282,1068 18.831,1069 9.361,1070 3.064,1071 -0.23,1072 17.548,1073 -0.284,1074 10.656,1075 13.754,1076 5.75,1077 20.945,1078 10.181,1079 2.804,1080 9.801,1081 19.318,1082 -0.631,1083 11.816,1084 15.32,1085 6.513,1086 23.244,1087 11.297,1088 2.623,1089 8.905,1090 21.097,1091 4.453,1092 12.802,1093 16.669,1094 7.068,1095 25.438,1096 12.219,1097 2.393,1098 7.248,1099 22.884,1100 3.818,1101 13.919,1102 18.183,1103 7.776,1104 27.712,1105 13.289,1106 2.25,1107 6.825,1108 24.678,1109 3.614,1110 14.958,1111 19.596,1112 8.374,1113 29.944,1114 14.266,1115 2.059,1116 6.505,1117 26.479,1118 3.151,1119 16.059,1120 21.089,1121 9.053,1122 32.211,1123 15.318,1124 1.743,1125 5.665,1126 28.284,1127 2.849,1128 17.127,1129 22.536,1130 9.674,1131 34.461,1132 16.326,1133 10372,1134 17663,1135 20.978,1136 32.909,1137 46.776,1138 47.086,1139 47.076,1140 46.14,1141 46.202,1142 63.671,1143 6.414,1144 130.232,1145 43.699,1146 5.342,1147 5.536,1148 5.895,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 12.694,1156 1.509,1157 1.519,1158 1.519,1159 1.488,1160 1.49,1161 2.054,1162 0.207,1163 4.201,1164 1.41,1165 4.083,1166 4.101,1167 4.323,1168 4.062,1169 7.43,1170 4.026,1171 3.934,1172 3.962,1173 3.884,1174 3.875,1175 5.087,1176 3.868,1177 3.787,1178 3.828,1179 3.797,1180 3.65,1181 4.931,1182 3.657,1183 3.567,1184 3.612,1185 3.498,1186 3.353,1187 4.739,1188 3.37,1189 3.332,1190 3.383,1191 3.345,1192 3.183,1193 4.36,1194 3.173,1195 3.219,1196 3.264,1197 3.17,1198 3.135,1199 4.231,1200 3.097,1201 2.97,1202 3.04,1203 2.893,1204 2.805,1205 3.915,1206 2.792,1207 2.884,1208 2.939,1209 2.778,1210 2.735,1211 3.837,1212 2.719,1213 0.146,1214 0.114,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 3.536,1221 0.062,1222 6.343,1223 0.316,1224 4.005,1225 0.094,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.954,1232 1.936,1233 2.056,1234 2.045,1235 1.18,1236 2.043,1237 1.926,1238 1.9,1239 2.007,1240 2,1241 1.157,1242 2.015,1243 1.648,1244 1.611,1245 1.742,1246 1.823,1247 0.775,1248 1.801,1249 1.525,1250 1.482,1251 1.723,1252 1.77,1253 0.739,1254 1.761,1255 1.316,1256 1.26,1257 1.602,1258 1.518,1259 0.722,1260 1.547,1261 1.195,1262 1.168,1263 1.303,1264 1.351,1265 0.432,1266 1.381,1267 0.953,1268 0.903,1269 1.249,1270 1.228,1271 0.408,1272 1.256,1273 0.887,1274 0.833,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.143,1281 5.46,1282 2.398,1283 6.954,1284 4.727,1285 8.529,1286 6.823,1287 10.148,1289 3.521,1295 0.414,1296 2.721,1297 5.75,1305 31.39,1306 76.787,1307 168.8,1308 204.574,1309 230.574,1310 234.574,1311 234.574,1312 37.477,1313 7.757,1314 77,1315 105.24,1316 23,1317 12.46,1318 4.585,1319 3.7,1320 42.663,1321 122,1322 130,1323 0.168,1324 196.735,1325 329.87,1326 471.794,1327 27043,1329 19.51,1330 0.697,1331 0.582,1332 19.863,1333 16.286,1334 13.564,1335 0.438,1336 0.309,1337 8.728,1338 12.661,1339 8.37,1340 6.986,1341 13.972,1342 9.583,1343 12.556,1344 0.292,1345 0.172,1346 13.225,1347 7.412,1348 9.866,1349 0.183,1350 0.093,1351 10.601,1352 5.023,1353 8.314,1354 0.117,1355 0.051,1356 9.256,1357 3.643,1358 6.849,1359 0.076,1360 0.028,1361 7.595,1362 2.476,1363 0.269,1364 88.629,1365 0.218,1366 27.225,1367 0.442,1368 148,1369 449.6,1370 188.707,1371 458.073,1372 631.12,1373 430,1374 171,1375 453.186,1376 205.635,1377 476.728,1378 695.23,1379 447,1380 7.237}
{0 CHEMBL1773564,1 1.724,2 13.586,3 3.816,4 14.56,5 110.635,6 8.649,7 0.688,8 3.974,9 4.066,10 3.71,11 3.563,12 5.164,13 3.546,14 4.459,15 4.594,16 4.094,17 3.908,18 5.673,19 3.878,20 4.577,21 4.724,22 4.036,23 3.977,24 5.733,25 3.922,26 4.617,27 4.799,28 3.988,29 3.937,30 5.723,31 3.857,32 4.552,33 4.748,34 3.867,35 3.857,36 5.607,37 3.776,38 4.485,39 4.679,40 3.827,41 3.787,42 5.599,43 3.722,44 4.366,45 4.529,46 3.77,47 3.708,48 5.521,49 3.656,50 4.406,51 4.629,52 3.59,53 3.637,54 5.446,55 3.55,56 0.07,57 0.687,58 7.589,59 4.194,60 7.073,61 4.56,62 0.418,63 1.098,64 16.777,65 6.83,66 29.195,67 7.63,68 0.329,69 1.212,70 19.795,71 8.085,72 36.876,73 8.471,74 0.41,75 1.242,76 22.512,77 8.591,78 36.929,79 9.547,80 0.315,81 1.181,82 24.088,83 8.523,84 27.814,85 9.777,86 0.422,87 1.089,88 19.478,89 7.298,90 32.383,91 8.52,92 0.273,93 0.98,94 16.271,95 6.302,96 27.614,97 7.094,98 0.423,99 0.951,100 18.335,101 6.982,102 35.12,103 8.937,104 15,105 44,106 0.289,107 0.635,108 0.792,109 0.863,110 0.863,111 0.863,112 3.407,113 0.909,114 -4.19,115 -4.13,116 -3.9,119 44.7,120 1,124 1,125 1,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 7,174 3,175 9,178 2,180 2,183 8,187 8,195 7,198 1,199 12,204 2,207 3,212 9,217 2,220 1,223 2,224 9,232 4,237 4,240 1,242 1,245 8,249 4,258 9,262 1,263 2,266 2,271 8,275 1474,276 19.781,277 19.781,278 19.781,279 19.781,280 19.781,281 17.08,282 18.697,283 11.722,284 20.476,285 15.786,286 15.786,287 15.786,288 15.786,289 15.786,290 11.622,291 23.722,292 5.567,293 16.881,294 3.831,295 1.772,296 0.841,297 0.415,298 0.415,299 0.415,300 4.107,304 1,305 1,306 853,307 3.317,310 70.148,311 275.849,314 122.857,318 2.221,319 24.913,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63,331 394,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.187,342 3.087,343 6.073,344 3.73,345 2.805,346 3.818,347 1.151,348 8.905,349 2.595,350 4.035,351 2.998,352 5.496,353 3.623,354 2.652,355 3.634,356 0.86,357 7.381,358 2.569,359 3.742,360 2.854,361 5.322,362 3.331,363 2.402,364 3.151,365 0.149,366 6.895,367 2.259,368 3.59,369 2.67,370 5.238,371 3.216,372 2.265,373 2.852,375 6.537,376 2.111,377 3.458,378 2.429,379 5.081,380 3.073,381 2.126,382 2.748,384 6.189,385 1.995,386 3.188,387 2.099,388 4.467,389 2.686,390 1.744,391 2.398,393 4.45,394 1.603,395 3.022,396 1.588,397 4.381,398 2.458,399 1.528,400 2.273,402 4.383,403 1.406,404 2.878,405 1.516,406 4.234,407 2.387,408 1.431,409 2.033,411 3.804,412 1.355,413 2.593,414 1.258,415 3.493,416 2.038,417 1.104,418 1.637,420 2.56,421 1.028,422 2.5,423 1.111,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.956,431 1,432 3.226,433 1.665,434 0.779,435 0.886,436 1.703,437 0.682,438 1.902,439 0.932,440 3.16,441 1.315,442 0.429,443 0.611,445 1.081,446 0.369,447 1.583,448 0.589,449 2.721,450 1.285,451 0.408,452 0.479,454 0.689,455 0.358,456 1.107,457 0.41,458 2.644,459 0.692,460 -0.229,461 -0.277,463 -0.628,464 -0.208,465 13.933,466 0.48,467 0.656,468 0.023,469 42.25,470 1.457,471 23,472 0.793,473 19.25,474 0.664,475 20.546,476 0.708,477 29.867,478 0.635,479 30.1,480 1.038,481 8.429,482 0.291,483 5.673,484 0.196,485 0.096,487 0.323,493 0.819,494 1.222,495 0.684,496 0.957,497 0.661,498 0.862,499 0.922,500 0.93,501 0.773,502 0.845,503 0.655,504 0.787,505 1.254,506 1.131,507 1.133,508 1.06,509 1.299,510 1.024,511 1.075,512 1.048,513 1.058,514 1.035,515 0.78,516 1.038,517 0.942,518 1.158,519 1.174,520 1.17,521 0.737,522 1.013,523 0.958,524 0.96,525 0.909,526 0.859,527 0.725,528 0.896,529 1.026,530 1.169,531 1.012,532 1.163,533 1.241,534 1.124,535 0.739,536 0.778,537 0.715,538 0.751,539 0.713,540 0.888,541 6.5,542 0.173,543 2.444,544 1.479,545 1.298,546 0.955,547 0.395,548 0.43,549 0.244,550 0.152,551 12119,552 37040,553 2.111,554 38.3,556 13,558 1,559 1,560 3,564 1.715,565 2,566 3.718,567 -0.302,569 1,573 81.013,574 1.724,575 3.783,576 4.714,577 5.139,578 5.139,579 5.139,580 3.237,581 4.444,582 4.824,583 3.875,584 1573.1,585 8.38,586 22214.3,588 1,590 1,591 261.066,592 1.314,593 4.8,594 0.203,595 0.008,596 0.056,597 0.035,598 0.035,599 0.027,600 0.012,601 0.014,602 0.009,603 0.006,604 0.404,605 0.33,606 1,607 0.94,608 150.379,609 -0.058,610 -0.162,611 0.062,612 -0.037,613 -0.083,614 -0.004,615 0.131,616 0.113,617 0.149,618 0.125,619 0.107,620 0.11,621 -0.231,622 -0.096,623 -0.169,624 -0.069,625 -0.211,626 -0.112,627 -0.1,628 -0.037,629 -0.047,630 -0.038,631 -0.038,632 -0.077,633 -0.082,634 -0.151,635 -0.066,636 -0.109,637 -0.018,638 -0.008,639 0.012,640 0.044,641 0.025,642 0.078,643 0.061,644 0.063,645 -0.085,646 -0.152,647 -0.113,648 -0.223,649 -0.16,650 -0.199,651 0.175,652 0.143,653 0.142,654 0.139,655 0.072,656 0.126,657 1.807,658 4.23,659 0.724,660 33.741,661 1.014,662 1.116,663 2.957,664 8.744,665 0.71,666 3.497,667 3.807,668 4.043,669 4.304,670 4.533,671 4.615,672 4.762,673 4.875,674 4.97,675 5.063,676 7.694,677 0.683,678 406.5,679 3.497,680 5.03,681 5.866,682 6.735,683 7.588,684 8.461,685 9.324,686 10.2,687 11.068,688 11.946,689 8.5,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 2,731 47,733 23,734 2,735 32,737 50,738 21,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 3,766 1,771 1,775 1,778 1,781 18,782 7,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 2,848 29,854 1,855 1,856 2,863 1,870 6.4,873 1,875 2,877 14.5,878 9.267,879 6.389,880 2.594,881 4.274,882 1.545,883 0.997,884 5.791,885 12.119,886 3.807,887 4.434,888 5.016,889 5.638,890 6.199,891 6.515,892 6.992,893 7.433,894 7.76,895 8.164,896 1,897 42,898 10.639,900 4.441,901 7.77,902 20.116,904 16.013,905 2.27,906 65.833,909 1,910 200.109,911 167.288,912 68.367,914 47.145,916 31.278,917 136.01,918 247.253,919 68.367,920 19.708,921 22.603,922 75.81,923 91.977,924 48.063,925 5.132,926 219.615,928 200.109,929 204.378,930 47.145,931 31.278,933 200.109,934 47.145,937 50.263,938 103.758,939 50.357,940 31.278,941 200.109,942 115.512,943 167.288,946 200.109,947 62.722,948 104.566,949 18.011,950 97.501,951 200.109,952 115.512,953 167.288,955 0.576,956 0.323,957 0.173,958 0.096,959 21,960 9,961 0.12,962 6,963 1,964 1.095,965 4.209,966 246.955,967 0.095,968 21,969 136.881,970 1,974 19.434,975 8.641,976 4.757,977 1.79,978 115.512,979 16.989,980 13.109,983 1.421,984 4.356,986 18.011,987 482.909,988 44,993 11.23,997 -0.14,999 47.651,1000 52.448,1001 0.31,1002 0.681,1003 0.849,1004 0.925,1005 0.925,1006 0.925,1007 5.021,1008 1.528,1009 5.838,1010 4.45,1011 4.489,1012 5.121,1013 2.414,1014 6.603,1015 4.365,1016 6.233,1017 1.431,1018 7.363,1019 4.383,1020 4.007,1021 4.902,1022 1.593,1023 7.368,1024 3.841,1025 7.535,1026 1.104,1027 8.98,1028 3.804,1029 6.043,1030 7.348,1031 3.129,1032 10.421,1033 5.806,1034 8.871,1035 1,1036 10.648,1037 2.56,1038 6.347,1039 7.938,1040 3.032,1041 11.996,1042 6.056,1043 10.234,1044 0.779,1045 12.351,1046 2.275,1047 7.846,1048 9.855,1049 4.129,1050 14.546,1051 7.504,1052 11.618,1053 0.429,1054 14.077,1055 1.703,1056 8.531,1057 10.857,1058 4.409,1059 16.485,1060 8.126,1061 13.018,1062 0.408,1063 15.82,1064 1.081,1065 9.796,1066 12.535,1067 5.285,1068 18.85,1069 9.348,1070 3.064,1071 -0.229,1072 17.578,1073 0.689,1074 10.678,1075 13.762,1076 5.75,1077 20.961,1078 10.164,1079 2.805,1080 9.801,1081 19.347,1082 -0.628,1083 11.838,1084 15.327,1085 6.514,1086 23.257,1087 11.282,1088 2.652,1089 8.905,1090 21.124,1091 4.453,1092 12.822,1093 16.674,1094 7.068,1095 25.449,1096 12.202,1097 2.402,1098 7.381,1099 22.91,1100 3.818,1101 13.938,1102 18.188,1103 7.776,1104 27.721,1105 13.273,1106 2.265,1107 6.895,1108 24.703,1109 3.634,1110 14.976,1111 19.6,1112 8.374,1113 29.951,1114 14.249,1115 2.126,1116 6.537,1117 26.502,1118 3.151,1119 16.076,1120 21.093,1121 9.053,1122 32.216,1123 15.302,1124 1.744,1125 6.189,1126 28.305,1127 2.852,1128 17.142,1129 22.54,1130 9.674,1131 34.465,1132 16.31,1133 11528,1134 20324,1135 21.671,1136 33.364,1137 47.799,1138 48.657,1139 48.355,1140 47.374,1141 47.473,1142 64.948,1143 8.134,1144 133.31,1145 44.472,1146 5.344,1147 5.536,1148 5.901,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 13.084,1156 1.494,1157 1.521,1158 1.511,1159 1.48,1160 1.484,1161 2.03,1162 0.254,1163 4.166,1164 1.39,1165 4.083,1166 4.101,1167 4.323,1168 4.062,1169 7.43,1170 4.026,1171 3.924,1172 3.945,1173 3.881,1174 3.848,1175 5.088,1176 3.846,1177 3.786,1178 3.825,1179 3.796,1180 3.649,1181 4.932,1182 3.656,1183 3.566,1184 3.612,1185 3.497,1186 3.352,1187 4.858,1188 3.37,1189 3.336,1190 3.376,1191 3.346,1192 3.161,1193 4.448,1194 3.142,1195 3.228,1196 3.271,1197 3.189,1198 3.083,1199 4.308,1200 3.08,1201 3.091,1202 3.158,1203 2.931,1204 2.846,1205 4.172,1206 2.842,1207 2.888,1208 2.941,1209 2.85,1210 2.788,1211 3.914,1212 2.771,1213 0.141,1214 0.11,1215 0.198,1216 0.125,1217 0.096,1218 4.516,1219 0.139,1220 3.536,1221 0.06,1222 6.343,1223 0.306,1224 4.005,1225 0.091,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.953,1232 1.935,1233 2.019,1234 2.043,1235 1.159,1236 2.037,1237 1.897,1238 1.876,1239 2.001,1240 1.989,1241 1.134,1242 1.996,1243 1.647,1244 1.61,1245 1.74,1246 1.822,1247 0.747,1248 1.798,1249 1.525,1250 1.482,1251 1.722,1252 1.77,1253 0.735,1254 1.76,1255 1.259,1256 1.213,1257 1.585,1258 1.55,1259 0.629,1260 1.559,1261 1.195,1262 1.168,1263 1.391,1264 1.361,1265 0.528,1266 1.384,1267 1.072,1268 0.999,1269 1.25,1270 1.33,1271 0.432,1272 1.356,1273 0.898,1274 0.866,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.174,1281 5.485,1282 2.398,1283 6.978,1284 4.727,1285 8.554,1286 6.823,1287 10.173,1289 3.098,1295 0.363,1296 2.717,1297 10.901,1305 32.105,1306 81.013,1307 177.781,1308 221.556,1309 241.556,1310 241.556,1311 241.556,1312 39.628,1313 7.845,1314 86.23,1315 114.47,1316 23,1317 12.486,1318 4.585,1319 3.7,1320 44.989,1321 132,1322 148,1323 0.163,1324 200.731,1325 338.66,1326 481.545,1327 30438,1329 20.217,1330 0.697,1331 0.576,1332 20.571,1333 16.694,1334 14.102,1335 0.441,1336 0.303,1337 8.798,1338 13.042,1339 8.469,1340 7.055,1341 14.51,1342 9.695,1343 12.725,1344 0.289,1345 0.165,1346 13.394,1347 7.275,1348 10.274,1349 0.183,1350 0.09,1351 11.009,1352 5.061,1353 8.625,1354 0.118,1355 0.05,1356 9.567,1357 3.68,1358 6.947,1359 0.076,1360 0.026,1361 7.693,1362 2.417,1363 0.263,1364 92.972,1365 0.215,1366 28.112,1367 0.427,1368 152,1369 497.335,1370 195.586,1371 495.518,1372 678.92,1373 466,1374 176,1375 483.731,1376 213.293,1377 505.546,1378 736.55,1379 473,1380 7.237}
{0 CHEMBL1773565,1 1.751,2 12.185,3 2.682,4 7.191,5 102.015,6 8.987,7 0.733,8 3.871,9 3.967,10 3.645,11 3.481,12 5.084,13 3.465,14 4.343,15 4.477,16 4.032,17 3.827,18 5.591,19 3.795,20 4.474,21 4.631,22 3.945,23 3.877,24 5.634,25 3.818,26 4.477,27 4.662,28 3.91,29 3.808,30 5.602,31 3.735,32 4.384,33 4.562,34 3.807,35 3.726,36 5.517,37 3.666,38 4.323,39 4.502,40 3.757,41 3.693,42 5.477,43 3.638,44 4.273,45 4.442,46 3.706,47 3.624,48 5.467,49 3.572,50 4.236,51 4.452,52 3.469,53 3.534,54 5.277,55 3.443,56 0.07,57 0.651,58 6.03,59 3.513,60 6.665,61 3.706,62 0.355,63 1.038,64 13.239,65 5.681,66 24.372,67 6.241,68 0.308,69 1.133,70 17.305,71 7.082,72 36.228,73 7.161,74 0.368,75 1.108,76 19.274,77 7.39,78 33.38,79 7.907,80 0.344,81 1.037,82 19.825,83 6.839,84 26.517,85 7.099,86 0.259,87 0.974,88 14.663,89 5.978,90 23.251,91 6.603,92 0.306,93 0.925,94 14.44,95 5.636,96 29.026,97 6.097,98 0.246,99 0.842,100 13.848,101 5.856,102 24.768,103 7.477,104 7,105 41,106 0.3,107 0.645,108 0.787,109 0.853,110 0.864,111 0.864,112 3.34,113 0.902,114 -3.47,115 -3.45,116 -3.29,119 45.2,120 1,125 1,142 6,143 2,145 3,146 2,150 1,152 1,158 1,162 1,172 5,174 3,175 9,178 2,180 2,183 5,187 7,195 5,198 1,199 9,204 2,207 3,211 1,212 9,217 2,220 1,223 1,224 5,232 4,236 2,237 4,240 1,242 1,245 8,249 2,258 5,262 1,263 4,266 2,271 4,275 1187,276 18.463,277 18.463,278 18.463,279 18.463,280 18.463,281 15.735,282 14.384,283 11.137,284 19.053,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.794,291 19.071,292 5.392,293 15.896,294 3.641,295 1.629,296 0.804,297 0.417,298 0.351,299 0.351,300 4.041,303 1,304 1,305 1,306 717,307 3.082,310 62.894,311 249.827,314 110.399,318 2.058,319 23.26,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 329,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.186,342 3.085,343 6.073,344 3.729,345 2.804,346 3.817,347 1.151,348 8.905,349 2.584,350 3.904,351 2.982,352 5.407,353 3.514,354 2.543,355 3.446,356 0.149,357 7.141,358 2.477,359 3.73,360 2.741,361 5.274,362 3.317,363 2.368,364 3.145,366 6.748,367 2.257,368 3.577,369 2.488,370 5.209,371 3.165,372 2.224,373 2.844,375 6.477,376 2.054,377 3.191,378 2.103,379 4.467,380 2.69,381 1.747,382 2.4,384 4.452,385 1.608,386 3.024,387 1.688,388 4.381,389 2.478,390 1.546,391 2.276,393 4.383,394 1.429,395 2.941,396 1.528,397 4.234,398 2.437,399 1.507,400 2.114,402 3.813,403 1.388,404 2.852,405 1.477,406 3.636,407 2.349,408 1.395,409 2.003,411 3.131,412 1.322,413 2.593,414 1.12,415 3.484,416 2.037,417 1.103,418 1.637,420 2.55,421 1.027,422 2.5,423 1,424 3.247,425 1.984,426 1,427 1.5,428 2.136,429 0.983,430 1.904,431 0.956,432 3.165,433 1.483,434 0.602,435 0.714,436 1.406,437 0.525,438 1.821,439 0.589,440 3.079,441 1.313,442 0.41,443 0.609,445 1.079,446 0.364,447 1.107,448 0.41,449 2.651,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.941,457 -0.019,458 2.509,459 0.532,460 -0.404,461 -0.51,463 -0.978,464 -0.374,465 13,466 0.481,467 0.588,468 0.022,469 40.75,470 1.509,471 22.5,472 0.833,473 18.25,474 0.676,475 17.96,476 0.665,477 27.2,478 0.648,479 27.636,480 1.024,481 8.025,482 0.297,483 5.144,484 0.191,485 0.064,487 0.308,493 0.802,494 1.235,495 0.666,496 0.916,497 0.636,498 0.825,499 0.764,500 0.985,501 0.778,502 0.893,503 0.617,504 0.835,505 1.276,506 1.089,507 1.157,508 1.053,509 1.329,510 1.026,511 1.116,512 1.009,513 1.035,514 1.02,515 0.749,516 0.989,517 1.172,518 1.086,519 1.29,520 1.158,521 0.807,522 0.974,523 1.042,524 1.04,525 0.95,526 0.955,527 0.743,528 0.97,529 1.03,530 0.967,531 1.011,532 1.096,533 1.233,534 1.086,535 0.611,536 0.938,537 0.733,538 0.906,539 0.695,540 1.042,541 5.5,542 0.12,543 2,544 1.417,545 1.067,546 0.837,547 0.356,548 0.367,549 0.204,550 0.11,551 9893,552 30912,553 2.142,554 35.7,556 8,558 3,559 1,560 3,564 1.697,565 2.051,566 3.582,567 -0.272,568 1,569 1,573 73.554,574 1.751,575 3.764,576 4.588,577 4.975,578 5.041,579 5.041,580 3.106,581 4.31,582 4.722,583 3.741,584 1313.04,585 8.18,586 17333.3,587 1,588 1,590 1,591 226.477,592 1.218,593 4.706,594 0.183,595 0.006,596 0.049,597 0.037,598 0.031,599 0.025,600 0.011,601 0.013,602 0.008,603 0.005,604 0.37,605 0.33,606 1,607 0.806,608 135.899,609 -0.072,610 -0.186,611 0.057,612 -0.029,613 -0.079,614 -0.003,615 0.209,616 0.065,617 0.119,618 0.056,619 0.108,620 0.035,621 -0.254,622 -0.074,623 -0.178,624 -0.061,625 -0.24,626 -0.108,627 -0.079,628 -0.025,629 0.014,632 -0.011,633 -0.123,634 -0.066,635 -0.148,636 -0.08,637 -0.042,638 -0.004,639 -0.12,640 -0.042,641 -0.046,642 -0.021,643 0.014,644 -0.029,645 -0.026,646 0.028,647 -0.101,648 -0.157,649 -0.141,650 -0.158,651 0.139,652 -0.041,653 0.097,654 -0.011,655 0.042,656 -0.004,657 1.805,658 4.201,659 0.778,660 29.361,661 1.016,662 1.117,663 2.238,664 5.011,665 0.724,666 3.434,667 3.738,668 3.97,669 4.248,670 4.466,671 4.533,672 4.71,673 4.828,674 4.913,675 4.997,676 7.077,677 0.699,678 377.46,679 3.434,680 4.963,681 5.796,682 6.663,683 7.515,684 8.388,685 9.25,686 10.127,687 10.995,688 11.875,689 11.9,696 1,699 4,703 2,704 9,705 4,708 1,709 5,711 22,729 1,731 42,733 23,734 1,735 30,737 45,738 19,739 16,740 3,741 3,746 4,747 5,752 1,761 17,762 2,766 1,771 1,775 1,777 1,778 1,781 15,782 7,783 1,784 8,785 1,790 5,794 0.75,795 2,805 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 27,854 1,855 1,856 1,863 1,870 4.8,873 1,875 1,877 13.167,878 8.05,879 5.889,880 2.353,881 4.214,882 1.55,883 1.012,884 5.034,885 11.875,886 3.761,887 4.385,888 4.965,889 5.597,890 6.149,891 6.456,892 6.965,893 7.416,894 7.738,895 8.138,896 1,897 38,898 9.897,900 4.158,901 7.784,902 18.677,904 14.942,905 2.284,906 61.667,909 1,910 164.795,911 150.304,912 85.153,914 36.145,916 31.278,917 119.026,918 200.94,919 85.153,920 8.825,921 22.603,922 56.857,923 132.305,924 49.915,925 5.132,926 160.76,928 164.795,929 204.179,930 36.145,931 31.278,933 164.795,934 36.145,937 68.358,938 68.679,939 67.142,940 31.278,941 164.795,942 121.298,943 150.304,946 164.795,947 57.479,948 92.825,949 18.011,950 103.287,951 164.795,952 121.298,953 150.304,955 0.574,956 0.316,957 0.175,958 0.097,959 20,960 8,961 0.111,962 5,963 1,964 1.095,965 4.053,966 225.594,967 0.095,968 21,969 124.382,970 1,974 17.502,975 7.767,976 4.262,977 1.796,978 121.298,979 16.543,980 17.033,983 1.423,984 3.574,986 18.011,987 436.397,988 42,993 11.201,997 -0.138,999 42.658,1000 46.906,1001 0.325,1002 0.698,1003 0.851,1004 0.923,1005 0.935,1006 0.935,1007 4.966,1008 1.507,1009 5.759,1010 4.383,1011 4.419,1012 5.072,1013 2.272,1014 6.518,1015 4.295,1016 6.174,1017 1.395,1018 7.276,1019 3.813,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.732,1025 7.47,1026 1.103,1027 8.887,1028 3.131,1029 5.958,1030 7.291,1031 3.08,1032 10.342,1033 5.721,1034 8.8,1035 1,1036 10.554,1037 2.55,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.953,1043 10.159,1044 0.602,1045 12.258,1046 2.136,1047 7.76,1048 9.797,1049 4.116,1050 14.488,1051 7.415,1052 11.541,1053 0.41,1054 13.988,1055 1.406,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.034,1061 12.941,1062 -0.229,1063 15.736,1064 1.079,1065 9.716,1066 12.483,1067 5.282,1068 18.813,1069 9.262,1070 3.064,1071 -0.404,1072 17.5,1073 -0.63,1074 10.597,1075 13.707,1076 5.75,1077 20.933,1078 10.081,1079 2.804,1080 9.801,1081 19.275,1082 -0.978,1083 11.767,1084 15.283,1085 6.513,1086 23.234,1087 11.201,1088 2.543,1089 8.905,1090 21.059,1091 4.453,1092 12.754,1093 16.632,1094 7.068,1095 25.431,1096 12.126,1097 2.368,1098 7.141,1099 22.852,1100 3.817,1101 13.877,1102 18.153,1103 7.776,1104 27.706,1105 13.199,1106 2.224,1107 6.748,1108 24.65,1109 3.446,1110 14.919,1111 19.569,1112 8.374,1113 29.94,1114 14.18,1115 1.747,1116 6.477,1117 26.454,1118 3.145,1119 16.024,1120 21.066,1121 9.053,1122 32.208,1123 15.234,1124 1.546,1125 4.452,1126 28.263,1127 2.844,1128 17.094,1129 22.516,1130 9.674,1131 34.459,1132 16.247,1133 9332,1134 16652,1135 20.572,1136 30.392,1137 45.075,1138 45.543,1139 44.933,1140 44.56,1141 44.623,1142 61.919,1143 6.414,1144 124.045,1145 41.847,1146 5.34,1147 5.536,1148 6.145,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 10.034,1156 1.503,1157 1.518,1158 1.498,1159 1.485,1160 1.487,1161 2.064,1162 0.214,1163 4.135,1164 1.395,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.025,1171 3.889,1172 3.925,1173 3.859,1174 3.779,1175 5.089,1176 3.783,1177 3.778,1178 3.821,1179 3.773,1180 3.645,1181 4.935,1182 3.651,1183 3.566,1184 3.611,1185 3.496,1186 3.351,1187 4.886,1188 3.369,1189 3.257,1190 3.293,1191 3.342,1192 3.156,1193 4.375,1194 3.12,1195 3.157,1196 3.212,1197 3.067,1198 2.937,1199 4.241,1200 2.953,1201 2.889,1202 2.942,1203 2.872,1204 2.791,1205 3.915,1206 2.775,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.798,1212 2.715,1213 0.151,1214 0.118,1215 0.211,1216 0.133,1217 0.102,1218 4.516,1219 0.148,1220 3.536,1221 0.064,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.952,1232 1.935,1233 2.01,1234 2.041,1235 1.158,1236 2.035,1237 1.845,1238 1.811,1239 1.965,1240 1.97,1241 1.063,1242 1.972,1243 1.644,1244 1.606,1245 1.738,1246 1.819,1247 0.744,1248 1.795,1249 1.525,1250 1.482,1251 1.721,1252 1.769,1253 0.734,1254 1.76,1255 1.196,1256 1.168,1257 1.379,1258 1.395,1259 0.481,1260 1.393,1261 1.112,1262 1.061,1263 1.249,1264 1.344,1265 0.431,1266 1.373,1267 0.898,1268 0.865,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.011,1277 0.13,1278 1.045,1279 4.111,1281 5.416,1282 2.398,1283 6.905,1284 4.727,1285 8.477,1286 6.823,1287 10.093,1289 1.464,1295 0.375,1296 2.713,1297 5.682,1305 29.358,1306 73.554,1307 158.074,1308 192.703,1309 208.968,1310 211.722,1311 211.722,1312 34.566,1313 7.661,1314 89.89,1315 118.13,1316 23,1317 12.414,1318 4.585,1319 3.7,1320 40.39,1321 113,1322 112,1323 0.172,1324 184.345,1325 306.27,1326 441.561,1327 23862,1329 18.64,1330 0.69,1331 0.564,1332 18.993,1333 15.233,1334 13.17,1335 0.439,1336 0.301,1337 8.15,1338 12.188,1339 7.879,1340 6.543,1341 13.578,1342 9.022,1343 11.934,1344 0.291,1345 0.165,1346 12.603,1347 6.782,1348 9.455,1349 0.182,1350 0.089,1351 10.19,1352 4.652,1353 8.172,1354 0.118,1355 0.05,1356 9.114,1357 3.437,1358 6.565,1359 0.076,1360 0.026,1361 7.311,1362 2.232,1363 0.275,1364 86.766,1365 0.22,1366 26.358,1367 0.456,1368 142,1369 461.245,1370 184.095,1371 466.325,1372 639.93,1373 438,1374 164,1375 457.299,1376 199.968,1377 478.353,1378 697.17,1379 449,1380 6.893}
{0 CHEMBL1773566,1 1.698,2 13.724,3 3.459,4 11.965,5 111.371,6 8.448,7 0.688,8 3.985,9 4.089,10 3.704,11 3.584,12 5.147,13 3.556,14 4.48,15 4.63,16 4.078,17 3.937,18 5.657,19 3.886,20 4.65,21 4.838,22 3.991,23 4,24 5.716,25 3.919,26 4.631,27 4.833,28 3.96,29 3.951,30 5.674,31 3.852,32 4.584,33 4.787,34 3.854,35 3.876,36 5.615,37 3.786,38 4.555,39 4.765,40 3.791,41 3.803,42 5.604,43 3.723,44 4.426,45 4.615,46 3.754,47 3.692,48 5.547,49 3.63,50 4.366,51 4.593,52 3.584,53 3.621,54 5.404,55 3.541,56 0.045,57 0.732,58 8.187,59 4.225,60 7.047,61 4.874,62 0.348,63 1.172,64 17.324,65 6.937,66 28.075,67 8.378,68 0.332,69 1.308,70 23.825,71 8.899,72 41.174,73 10.229,74 0.339,75 1.274,76 23.927,77 8.914,78 35.873,79 10.618,80 0.279,81 1.236,82 24.728,83 8.448,84 29.269,85 9.94,86 0.32,87 1.147,88 21.722,89 7.917,90 33.058,91 9.487,92 0.338,93 1.018,94 19.289,95 6.8,96 33.186,97 8.046,98 0.262,99 0.977,100 16.751,101 6.218,102 28.269,103 8.19,104 7,105 43,106 0.284,107 0.637,108 0.803,109 0.859,110 0.869,111 0.869,112 3.407,113 0.94,114 -3.92,115 -3.87,116 -3.68,119 43.8,120 1,121 2,125 1,142 6,143 2,145 3,146 2,150 1,152 1,158 1,162 1,172 7,174 3,175 9,178 2,180 2,183 8,187 6,195 7,198 1,199 11,204 2,207 3,212 10,217 2,220 1,223 1,224 7,232 4,236 1,237 8,240 1,242 1,245 6,249 2,258 5,262 3,263 2,266 2,271 9,275 1526,276 19.878,277 19.878,278 19.878,279 19.878,280 19.878,281 17.149,282 15.869,283 12.124,284 20.485,285 15.892,286 15.892,287 15.892,288 15.892,289 15.892,290 11.794,291 18.351,292 5.867,293 16.918,294 3.887,295 1.778,296 0.787,297 0.448,298 0.391,299 0.391,300 4.109,304 1,305 1,306 865,307 3.391,310 70.608,311 283.829,314 123.764,318 2.354,319 23.697,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62.5,331 398,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.184,342 3.074,343 6.073,344 3.726,345 2.8,346 3.816,347 0.86,348 8.904,349 2.582,350 3.897,351 2.923,352 5.344,353 3.516,354 2.524,355 3.444,356 0.149,357 6.972,358 2.506,359 3.742,360 2.72,361 5.322,362 3.33,363 2.401,364 3.151,366 6.904,367 2.259,368 3.584,369 2.594,370 5.234,371 3.193,372 2.247,373 2.846,375 6.52,376 2.076,377 3.192,378 2.113,379 4.469,380 2.701,381 1.756,382 2.401,384 4.46,385 1.625,386 3.025,387 1.78,388 4.381,389 2.579,390 1.63,391 2.276,393 4.383,394 1.535,395 2.956,396 1.58,397 4.238,398 2.456,399 1.526,400 2.119,402 3.84,403 1.405,404 2.886,405 1.52,406 3.719,407 2.397,408 1.45,409 2.043,411 3.309,412 1.362,413 2.596,414 1.357,415 3.509,416 2.19,417 1.24,418 1.641,420 2.754,421 1.172,422 2.5,423 1.108,424 3.424,425 2.033,426 1.097,427 1.5,428 2.503,429 1.023,430 2.443,431 1,432 3.247,433 1.984,434 1,435 1.436,436 2.136,437 0.983,438 1.903,439 0.676,440 3.163,441 1.344,442 0.431,443 0.612,445 1.087,446 0.389,447 1.583,448 0.589,449 2.866,450 1.312,451 0.407,452 0.479,454 0.958,455 0.362,456 1.107,457 0.41,458 2.647,459 0.693,460 -0.229,461 -0.277,463 -0.629,464 -0.208,465 14,466 0.483,467 0.588,468 0.02,469 41.75,470 1.44,471 22.5,472 0.776,473 19.25,474 0.664,475 21.275,476 0.734,477 29.8,478 0.621,479 28.378,480 0.979,481 8.05,482 0.278,483 6.12,484 0.211,485 0.06,487 0.286,493 0.787,494 1.256,495 0.696,496 0.955,497 0.619,498 0.876,499 0.733,500 1.027,501 0.798,502 0.944,503 0.589,504 0.902,505 1.263,506 1.008,507 1.084,508 0.964,509 1.254,510 0.958,511 0.98,512 1.022,513 1.008,514 1.03,515 0.716,516 1.02,517 1.079,518 1.11,519 1.237,520 1.196,521 0.801,522 1.061,523 1.253,524 0.956,525 0.961,526 0.933,527 0.797,528 0.967,529 1.206,530 1.102,531 0.967,532 1.079,533 1.204,534 1.037,535 0.788,536 0.994,537 0.75,538 0.844,539 0.778,540 0.949,541 5.5,542 0.127,543 2,544 1.542,545 0.987,546 0.782,547 0.475,548 0.312,549 0.184,550 0.178,551 12695,552 37242,553 2.132,554 39.6,555 2,556 8,558 3,559 1,560 3,561 2,564 1.714,565 2.047,566 3.735,567 -0.302,569 1,573 81.519,574 1.698,575 3.807,576 4.798,577 5.137,578 5.194,579 5.194,580 3.27,581 4.444,582 4.824,583 3.921,584 1591.93,585 8.374,586 22904.2,588 1,590 1,591 268.078,592 1.178,593 4.812,594 0.172,595 0.006,596 0.047,597 0.039,598 0.027,599 0.023,600 0.015,601 0.01,602 0.007,603 0.007,604 0.352,605 0.33,606 1,607 0.769,608 151.275,609 -0.049,610 -0.175,611 0.063,612 -0.027,613 -0.041,614 -0.001,615 0.233,616 0.03,617 0.116,618 0.025,619 0.143,620 0.008,621 -0.213,622 -0.009,623 -0.084,624 0.038,625 -0.185,626 0.001,627 -0.032,628 -0.037,629 0.013,630 -0.017,631 0.005,632 -0.035,633 -0.126,634 -0.096,635 -0.138,636 -0.146,637 -0.066,638 -0.078,639 -0.128,640 0.002,641 -0.013,642 0.011,643 -0.003,644 0.003,645 -0.006,646 -0.134,647 -0.014,648 -0.124,649 -0.075,650 -0.087,651 0.063,652 -0.023,653 0.07,654 0.018,655 0.01,656 0.021,657 1.8,658 4.226,659 0.724,660 35.831,661 1.009,662 1.12,663 2.689,664 7.231,665 0.707,666 3.497,667 3.784,668 4.007,669 4.277,670 4.477,671 4.533,672 4.7,673 4.804,674 4.875,675 4.97,676 7.953,677 0.675,678 405.52,679 3.497,680 5.017,681 5.844,682 6.703,683 7.548,684 8.415,685 9.271,686 10.142,687 11.005,688 11.881,689 10.4,696 1,699 4,703 2,704 9,705 4,708 1,709 5,711 22,729 1,731 48,733 23,734 1,735 32,737 51,738 21,739 16,740 3,741 3,746 4,747 5,752 1,758 2,761 17,762 4,766 1,771 1,775 1,778 1,781 19,782 7,783 1,784 8,785 1,790 5,794 0.75,795 2,805 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 29,854 3,855 1,856 1,863 1,870 4.2,873 1,875 1,877 14.167,878 9.05,879 6.389,880 2.853,881 4.153,882 1.535,883 1,884 6.064,885 11.915,886 3.807,887 4.41,888 4.979,889 5.605,890 6.145,891 6.437,892 6.933,893 7.366,894 7.657,895 8.05,896 1,897 40,898 10.656,900 4.444,901 7.73,902 20.31,904 16.276,905 2.23,906 64.667,909 1,910 211.88,911 155.373,912 85.153,914 36.145,916 31.278,917 124.095,918 248.025,919 85.153,920 8.825,921 27.672,922 56.857,923 132.305,924 49.915,925 5.132,926 207.844,928 211.88,929 209.248,930 36.145,931 31.278,933 188.338,934 59.687,937 73.427,938 68.679,939 67.142,940 31.278,941 211.88,942 121.298,943 155.373,946 211.88,947 62.548,948 92.825,949 18.011,950 103.287,951 211.88,952 121.298,953 155.373,955 0.569,956 0.312,957 0.174,958 0.095,959 20,960 8,961 0.137,962 7,963 1,964 1.095,965 4.297,966 242.205,967 0.095,968 21,969 136.881,970 1,974 19.409,975 9.06,976 5.125,977 1.814,978 121.298,979 17.019,980 17.154,983 1.431,984 3.904,986 18.011,987 488.551,988 44,993 11.226,997 -0.134,999 48.425,1000 53.737,1001 0.304,1002 0.682,1003 0.859,1004 0.92,1005 0.93,1006 0.93,1007 5.007,1008 1.526,1009 5.796,1010 4.383,1011 4.466,1012 5.097,1013 2.143,1014 6.541,1015 4.348,1016 6.203,1017 1.45,1018 7.303,1019 3.84,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.732,1025 7.491,1026 1.24,1027 8.906,1028 3.309,1029 5.989,1030 7.299,1031 2.962,1032 10.347,1033 5.762,1034 8.815,1035 1.097,1036 10.567,1037 2.754,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.958,1043 10.17,1044 1,1045 12.267,1046 2.503,1047 7.777,1048 9.8,1049 4.052,1050 14.488,1051 7.446,1052 11.549,1053 0.431,1054 13.993,1055 2.136,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.044,1061 12.946,1062 0.407,1063 15.74,1064 1.087,1065 9.724,1066 12.484,1067 5.254,1068 18.811,1069 9.286,1070 3.064,1071 -0.229,1072 17.502,1073 0.958,1074 10.596,1075 13.707,1076 5.75,1077 20.932,1078 10.094,1079 2.8,1080 9.801,1081 19.276,1082 -0.629,1083 11.769,1084 15.283,1085 6.502,1086 23.232,1087 11.221,1088 2.524,1089 8.904,1090 21.06,1091 4.453,1092 12.752,1093 16.632,1094 7.068,1095 25.43,1096 12.14,1097 2.401,1098 6.972,1099 22.852,1100 3.816,1101 13.876,1102 18.153,1103 7.771,1104 27.705,1105 13.215,1106 2.247,1107 6.904,1108 24.65,1109 3.444,1110 14.915,1111 19.568,1112 8.374,1113 29.939,1114 14.194,1115 1.756,1116 6.52,1117 26.454,1118 3.151,1119 16.021,1120 21.066,1121 9.051,1122 32.206,1123 15.248,1124 1.63,1125 4.46,1126 28.262,1127 2.846,1128 17.09,1129 22.516,1130 9.674,1131 34.458,1132 16.259,1133 11968,1134 20688,1135 21.959,1136 33.915,1137 47.514,1138 48.071,1139 47.415,1140 47.107,1141 47.146,1142 64.434,1143 5.832,1144 129.062,1145 44.369,1146 5.41,1147 5.536,1148 6.145,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.301,1154 4.905,1155 10.614,1156 1.485,1157 1.502,1158 1.482,1159 1.472,1160 1.473,1161 2.014,1162 0.182,1163 4.033,1164 1.387,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.025,1171 3.901,1172 3.942,1173 3.849,1174 3.805,1175 5.083,1176 3.804,1177 3.797,1178 3.838,1179 3.802,1180 3.654,1181 4.93,1182 3.662,1183 3.574,1184 3.62,1185 3.505,1186 3.37,1187 4.896,1188 3.38,1189 3.498,1190 3.56,1191 3.375,1192 3.321,1193 4.396,1194 3.321,1195 3.23,1196 3.27,1197 3.305,1198 3.15,1199 4.255,1200 3.109,1201 2.997,1202 3.056,1203 2.916,1204 2.809,1205 3.946,1206 2.804,1207 2.886,1208 2.94,1209 2.831,1210 2.743,1211 3.913,1212 2.749,1213 0.141,1214 0.11,1215 0.198,1216 0.125,1217 0.096,1218 4.516,1219 0.139,1220 3.536,1221 0.06,1222 6.343,1223 0.306,1224 4.005,1225 0.091,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.952,1232 1.934,1233 2.023,1234 2.04,1235 1.262,1236 2.036,1237 1.875,1238 1.838,1239 2.005,1240 1.994,1241 1.158,1242 2.004,1243 1.657,1244 1.62,1245 1.774,1246 1.838,1247 0.884,1248 1.818,1249 1.525,1250 1.482,1251 1.729,1252 1.774,1253 0.743,1254 1.763,1255 1.489,1256 1.427,1257 1.704,1258 1.682,1259 0.732,1260 1.699,1261 1.195,1262 1.168,1263 1.261,1264 1.352,1265 0.432,1266 1.381,1267 0.953,1268 0.909,1269 1.246,1270 1.22,1271 0.421,1272 1.232,1273 0.887,1274 0.839,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.174,1281 5.468,1282 2.398,1283 6.944,1284 4.727,1285 8.505,1286 6.823,1287 10.114,1289 1.469,1295 2.33,1296 2.722,1297 5.73,1305 32.411,1306 81.519,1307 182.755,1308 230.304,1309 246.568,1310 249.323,1311 249.323,1312 40.231,1313 7.763,1314 89.89,1315 118.13,1316 23,1317 12.423,1318 4.585,1319 3.7,1320 45.031,1321 136,1322 140,1323 0.156,1324 203.53,1325 340.87,1326 488.372,1327 28611,1329 20.054,1330 0.692,1331 0.574,1332 20.407,1333 16.648,1334 14.17,1335 0.443,1336 0.313,1337 9.15,1338 13.182,1339 8.866,1340 7.357,1341 14.578,1342 10.022,1343 12.641,1344 0.294,1345 0.173,1346 13.31,1347 7.445,1348 9.947,1349 0.184,1350 0.095,1351 10.682,1352 5.125,1353 8.567,1354 0.121,1355 0.054,1356 9.509,1357 3.8,1358 6.795,1359 0.078,1360 0.028,1361 7.541,1362 2.457,1363 0.255,1364 92.766,1365 0.213,1366 28.338,1367 0.405,1368 150,1369 469.245,1370 192.095,1371 474.29,1372 651.29,1373 446,1374 172,1375 465.299,1376 207.635,1377 485.549,1378 706.89,1379 457,1380 6.943}
{0 CHEMBL1773567,1 1.698,2 13.724,3 3.459,4 11.965,5 111.371,6 8.448,7 0.688,8 3.985,9 4.089,10 3.704,11 3.584,12 5.147,13 3.556,14 4.48,15 4.63,16 4.078,17 3.937,18 5.656,19 3.886,20 4.65,21 4.838,22 3.994,23 3.996,24 5.72,25 3.915,26 4.635,27 4.843,28 3.959,29 3.938,30 5.681,31 3.843,32 4.556,33 4.75,34 3.853,35 3.867,36 5.604,37 3.782,38 4.555,39 4.766,40 3.792,41 3.808,42 5.611,43 3.724,44 4.418,45 4.604,46 3.751,47 3.699,48 5.524,49 3.634,50 4.395,51 4.629,52 3.591,53 3.621,54 5.44,55 3.539,56 0.045,57 0.732,58 8.187,59 4.225,60 7.047,61 4.874,62 0.348,63 1.172,64 17.324,65 6.937,66 27.894,67 8.378,68 0.324,69 1.31,70 23.771,71 8.906,72 40.989,73 10.25,74 0.372,75 1.285,76 24.436,77 8.718,78 38.34,79 10.355,80 0.266,81 1.213,82 23.577,83 8.13,84 27.613,85 9.431,86 0.364,87 1.146,88 21.777,89 7.926,90 34.572,91 9.556,92 0.254,93 1.013,94 18.821,95 6.943,96 28.894,97 8.293,98 0.334,99 1.001,100 17.829,101 6.445,102 33.06,103 8.45,104 7,105 43,106 0.284,107 0.637,108 0.819,109 0.89,110 0.897,111 0.897,112 3.407,113 0.94,114 -3.92,115 -3.87,116 -3.68,119 43.8,120 1,121 2,125 1,142 6,143 2,145 3,146 2,150 1,152 1,158 1,162 1,172 7,174 3,175 9,178 2,180 2,183 7,187 7,195 7,198 1,199 11,204 2,207 4,212 8,217 2,220 1,223 2,224 8,232 4,237 6,240 1,242 1,245 6,249 4,250 2,258 5,262 1,263 2,266 2,271 7,275 1526,276 19.878,277 19.878,278 19.878,279 19.878,280 19.878,281 17.149,282 15.869,283 12.124,284 20.477,285 15.892,286 15.892,287 15.892,288 15.892,289 15.892,290 11.794,291 18.351,292 5.867,293 16.913,294 3.887,295 1.778,296 0.688,297 0.266,298 0.224,299 0.224,300 4.109,304 1,305 1,306 865,307 3.391,310 70.608,311 283.829,314 123.764,318 2.354,319 23.952,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62.5,331 398,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.184,342 3.074,343 6.073,344 3.726,345 2.8,346 3.816,347 0.86,348 8.904,349 2.582,350 3.897,351 2.923,352 5.344,353 3.512,354 2.524,355 3.444,356 0.149,357 6.972,358 2.496,359 3.742,360 2.72,361 5.322,362 3.33,363 2.401,364 3.151,366 6.904,367 2.259,368 3.584,369 2.594,370 5.234,371 3.193,372 2.247,373 2.846,375 6.52,376 2.076,377 3.192,378 2.113,379 4.469,380 2.702,381 1.756,382 2.401,384 4.46,385 1.627,386 3.025,387 1.78,388 4.381,389 2.587,390 1.63,391 2.276,393 4.383,394 1.548,395 2.956,396 1.58,397 4.238,398 2.458,399 1.526,400 2.119,402 3.84,403 1.409,404 2.886,405 1.52,406 3.719,407 2.403,408 1.45,409 2.043,411 3.309,412 1.368,413 2.596,414 1.357,415 3.509,416 2.201,417 1.24,418 1.641,420 2.754,421 1.187,422 2.5,423 1.108,424 3.424,425 2.033,426 1.097,427 1.5,428 2.503,429 1.024,430 2.443,431 1,432 3.247,433 1.956,434 1,435 1.436,436 2.136,437 0.953,438 1.903,439 0.676,440 3.163,441 1.346,442 0.431,443 0.612,445 1.087,446 0.39,447 1.583,448 0.589,449 2.866,450 1.312,451 0.407,452 0.479,454 0.958,455 0.362,456 1.107,457 0.41,458 2.647,459 0.693,460 -0.229,461 -0.277,463 -0.629,464 -0.208,465 14,466 0.483,467 0.588,468 0.02,469 41.75,470 1.44,471 22.5,472 0.776,473 19.25,474 0.664,475 21.261,476 0.733,477 29.8,478 0.621,479 28.393,480 0.979,481 8.049,482 0.278,483 6.12,484 0.211,485 0.06,487 0.286,493 0.787,494 1.256,495 0.696,496 0.955,497 0.619,498 0.876,499 0.733,500 1.027,501 0.798,502 0.944,503 0.593,504 0.902,505 1.252,506 1.051,507 1.079,508 0.986,509 1.248,510 0.973,511 1.054,512 0.967,513 1.01,514 0.965,515 0.755,516 0.961,517 1.115,518 1.147,519 1.277,520 1.235,521 0.827,522 1.096,523 1.188,524 0.908,525 0.959,526 0.912,527 0.776,528 0.961,529 1.113,530 1.21,531 0.942,532 1.165,533 1.154,534 1.092,535 0.818,536 0.833,537 0.744,538 0.774,539 0.772,540 0.898,541 5.5,542 0.127,543 2,544 1.542,545 0.987,546 0.782,547 0.475,548 0.312,549 0.184,550 0.178,551 12695,552 37066,553 2.132,554 39.6,555 2,556 8,558 3,559 1,560 3,561 2,564 1.714,565 2.047,566 3.735,567 -0.302,569 1,573 81.519,574 1.698,575 3.807,576 4.897,577 5.319,578 5.361,579 5.361,580 3.27,581 4.444,582 4.824,583 3.921,584 1591.93,585 8.374,586 22904.2,588 1,590 1,591 268.078,592 1.178,593 4.812,594 0.172,595 0.006,596 0.047,597 0.039,598 0.027,599 0.023,600 0.015,601 0.01,602 0.007,603 0.007,604 0.352,605 0.33,606 1,607 0.769,608 151.275,609 -0.049,610 -0.175,611 0.063,612 -0.027,613 -0.041,614 -0.001,615 0.233,616 0.03,617 0.116,618 0.025,619 0.139,620 0.008,621 -0.202,622 -0.053,623 -0.079,624 0.015,625 -0.18,626 -0.013,627 -0.065,628 0.034,629 0.021,630 0.039,631 -0.011,632 0.016,633 -0.148,634 -0.117,635 -0.183,636 -0.185,637 -0.086,638 -0.127,639 -0.061,640 0.051,641 -0.011,642 0.033,643 0.019,644 0.009,645 -0.02,646 -0.254,648 -0.201,649 -0.061,650 -0.128,651 0.116,652 0.135,653 0.096,654 0.087,655 0.039,656 0.073,657 1.801,658 4.226,659 0.724,660 35.831,661 1.009,662 1.12,663 2.689,664 7.231,665 0.707,666 3.497,667 3.784,668 4.007,669 4.277,670 4.477,671 4.533,672 4.7,673 4.804,674 4.875,675 4.97,676 7.953,677 0.675,678 405.52,679 3.497,680 5.017,681 5.844,682 6.703,683 7.548,684 8.415,685 9.271,686 10.142,687 11.005,688 11.881,689 10.4,696 1,699 4,703 2,704 9,705 4,708 1,709 5,711 22,729 1,731 48,733 23,734 1,735 32,737 51,738 21,739 16,740 3,741 3,746 4,747 5,752 1,758 2,761 17,762 4,766 1,771 1,775 1,778 1,781 19,782 7,783 1,784 8,785 1,790 5,794 0.75,795 2,805 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 29,854 3,855 1,856 1,863 1,870 4.2,873 1,875 1,877 14.167,878 9.05,879 6.389,880 2.853,881 4.153,882 1.535,883 1,884 6.064,885 11.915,886 3.807,887 4.41,888 4.979,889 5.605,890 6.145,891 6.437,892 6.933,893 7.366,894 7.657,895 8.05,896 1,897 40,898 10.657,900 4.446,901 7.73,902 20.31,904 16.276,905 2.23,906 64.667,909 1,910 211.88,911 155.373,912 85.153,914 36.145,916 31.278,917 124.095,918 248.025,919 85.153,920 8.825,921 27.672,922 56.857,923 132.305,924 49.915,925 5.132,926 207.844,928 211.88,929 209.248,930 36.145,931 31.278,933 188.338,934 59.687,937 73.427,938 68.679,939 67.142,940 31.278,941 211.88,942 121.298,943 155.373,946 211.88,947 62.548,948 92.825,949 18.011,950 103.287,951 211.88,952 121.298,953 155.373,955 0.569,956 0.312,957 0.174,958 0.095,959 20,960 8,961 0.137,962 7,963 1,964 1.095,965 4.297,966 242.205,967 0.095,968 21,969 140.881,970 1,974 19.409,975 9.06,976 5.125,977 1.812,978 121.298,979 17.036,980 17.243,983 1.431,984 3.848,986 18.011,987 488.551,988 44,993 11.226,997 -0.134,999 48.425,1000 53.737,1001 0.304,1002 0.682,1003 0.877,1004 0.952,1005 0.96,1006 0.96,1007 5.007,1008 1.526,1009 5.796,1010 4.383,1011 4.466,1012 5.097,1013 2.143,1014 6.541,1015 4.348,1016 6.203,1017 1.45,1018 7.303,1019 3.84,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.732,1025 7.491,1026 1.24,1027 8.906,1028 3.309,1029 5.989,1030 7.299,1031 2.962,1032 10.347,1033 5.761,1034 8.815,1035 1.097,1036 10.567,1037 2.754,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.955,1043 10.17,1044 1,1045 12.267,1046 2.503,1047 7.777,1048 9.8,1049 4.052,1050 14.488,1051 7.443,1052 11.549,1053 0.431,1054 13.993,1055 2.136,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.04,1061 12.946,1062 0.407,1063 15.74,1064 1.087,1065 9.724,1066 12.484,1067 5.254,1068 18.811,1069 9.282,1070 3.064,1071 -0.229,1072 17.502,1073 0.958,1074 10.596,1075 13.707,1076 5.75,1077 20.932,1078 10.089,1079 2.8,1080 9.801,1081 19.276,1082 -0.629,1083 11.769,1084 15.283,1085 6.502,1086 23.232,1087 11.216,1088 2.524,1089 8.904,1090 21.06,1091 4.453,1092 12.752,1093 16.632,1094 7.068,1095 25.43,1096 12.135,1097 2.401,1098 6.972,1099 22.852,1100 3.816,1101 13.876,1102 18.153,1103 7.771,1104 27.705,1105 13.21,1106 2.247,1107 6.904,1108 24.65,1109 3.444,1110 14.915,1111 19.568,1112 8.374,1113 29.939,1114 14.189,1115 1.756,1116 6.52,1117 26.454,1118 3.151,1119 16.021,1120 21.066,1121 9.051,1122 32.206,1123 15.243,1124 1.63,1125 4.46,1126 28.262,1127 2.846,1128 17.09,1129 22.516,1130 9.674,1131 34.458,1132 16.254,1133 11968,1134 20642,1135 21.959,1136 33.915,1137 47.514,1138 48.071,1139 47.415,1140 47.103,1141 47.146,1142 64.434,1143 5.832,1144 129.062,1145 44.373,1146 5.41,1147 5.536,1148 6.145,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.301,1154 4.905,1155 10.614,1156 1.485,1157 1.502,1158 1.482,1159 1.472,1160 1.473,1161 2.014,1162 0.182,1163 4.033,1164 1.387,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.025,1171 3.9,1172 3.942,1173 3.849,1174 3.801,1175 5.083,1176 3.801,1177 3.798,1178 3.838,1179 3.801,1180 3.654,1181 4.93,1182 3.662,1183 3.574,1184 3.62,1185 3.505,1186 3.375,1187 4.893,1188 3.382,1189 3.502,1190 3.563,1191 3.377,1192 3.329,1193 4.395,1194 3.33,1195 3.23,1196 3.271,1197 3.307,1198 3.151,1199 4.254,1200 3.11,1201 3.021,1202 3.076,1203 2.924,1204 2.843,1205 3.922,1206 2.842,1207 2.887,1208 2.941,1209 2.842,1210 2.786,1211 3.908,1212 2.77,1213 0.141,1214 0.11,1215 0.198,1216 0.125,1217 0.096,1218 4.516,1219 0.139,1220 3.536,1221 0.06,1222 6.343,1223 0.306,1224 4.005,1225 0.091,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.952,1232 1.934,1233 2.021,1234 2.04,1235 1.258,1236 2.035,1237 1.872,1238 1.834,1239 2.005,1240 1.994,1241 1.158,1242 2.003,1243 1.657,1244 1.62,1245 1.781,1246 1.838,1247 0.887,1248 1.819,1249 1.525,1250 1.482,1251 1.73,1252 1.774,1253 0.743,1254 1.763,1255 1.499,1256 1.439,1257 1.707,1258 1.684,1259 0.733,1260 1.704,1261 1.195,1262 1.168,1263 1.298,1264 1.352,1265 0.47,1266 1.381,1267 1,1268 0.95,1269 1.249,1270 1.236,1271 0.431,1272 1.256,1273 0.897,1274 0.861,1275 1.074,1276 1.011,1277 0.13,1278 1.045,1279 4.174,1281 5.468,1282 2.398,1283 6.944,1284 4.727,1285 8.505,1286 6.823,1287 10.114,1289 1.469,1295 2.288,1296 2.722,1297 5.725,1305 32.411,1306 81.519,1307 182.755,1308 235.059,1309 255.323,1310 257.323,1311 257.323,1312 40.417,1313 7.763,1314 89.89,1315 118.13,1316 23,1317 12.423,1318 4.585,1319 3.7,1320 45.031,1321 136,1322 140,1323 0.156,1324 203.53,1325 340.87,1326 488.372,1327 28611,1329 20.054,1330 0.692,1331 0.574,1332 20.407,1333 16.648,1334 14.17,1335 0.443,1336 0.313,1337 9.15,1338 13.185,1339 8.865,1340 7.359,1341 14.578,1342 10.022,1343 12.641,1344 0.294,1345 0.173,1346 13.31,1347 7.451,1348 9.947,1349 0.184,1350 0.094,1351 10.682,1352 5.098,1353 8.567,1354 0.121,1355 0.053,1356 9.509,1357 3.796,1358 6.795,1359 0.078,1360 0.028,1361 7.541,1362 2.454,1363 0.255,1364 92.766,1365 0.213,1366 28.338,1367 0.405,1368 150,1369 469.245,1370 192.095,1371 474.421,1372 651.33,1373 446,1374 172,1375 465.299,1376 207.802,1377 485.843,1378 707.29,1379 457,1380 6.947}
{0 CHEMBL1773568,1 1.644,2 13.724,3 4.61,4 21.248,5 113.528,6 8.256,7 0.688,8 3.996,9 4.099,10 3.698,11 3.614,12 5.135,13 3.578,14 4.494,15 4.641,16 4.075,17 3.971,18 5.65,19 3.91,20 4.68,21 4.872,22 3.991,23 4.031,24 5.724,25 3.939,26 4.656,27 4.863,28 3.958,29 3.971,30 5.681,31 3.865,32 4.589,33 4.789,34 3.851,35 3.898,36 5.608,37 3.801,38 4.578,39 4.792,40 3.789,41 3.833,42 5.604,43 3.741,44 4.452,45 4.644,46 3.75,47 3.72,48 5.539,49 3.649,50 4.402,51 4.633,52 3.582,53 3.643,54 5.421,55 3.557,56 0.025,57 0.711,58 8.771,59 4.433,60 6.216,61 5.236,62 0.312,63 1.16,64 18.031,65 7.381,66 26.483,67 9.081,68 0.276,69 1.33,70 25.098,71 9.505,72 39.074,73 11.178,74 0.31,75 1.3,76 25.211,77 9.288,78 35.768,79 11.219,80 0.22,81 1.238,82 24.945,83 8.75,84 26.704,85 10.401,86 0.266,87 1.168,88 22.666,89 8.431,90 31.613,91 10.272,92 0.25,93 1.035,94 20.239,95 7.306,96 30.377,97 8.766,98 0.261,99 1.004,100 18.033,101 6.581,102 29.291,103 8.646,104 7,105 43,106 0.274,107 0.613,108 0.779,109 0.863,110 0.872,111 0.872,112 3.407,113 0.954,114 -4.9,115 -4.8,116 -4.51,119 44.9,120 1,121 2,125 1,142 9,143 2,145 1,146 2,150 1,152 1,158 1,162 1,172 11,174 3,175 7,178 2,180 2,183 13,187 5,195 12,198 1,199 10,204 2,207 6,212 9,217 2,220 2,223 1,224 9,232 4,237 9,240 1,242 1,245 6,249 2,250 4,258 5,262 1,263 4,266 2,271 9,275 1526,276 19.878,277 19.878,278 19.878,279 19.878,280 19.878,281 17.149,282 15.869,283 12.124,284 20.412,285 15.892,286 15.892,287 15.892,288 15.892,289 15.892,290 11.794,291 18.351,292 5.867,293 16.818,294 3.97,295 1.939,296 0.94,297 0.439,298 0.383,299 0.383,300 4.109,304 1,305 1,306 865,307 3.391,310 70.608,311 283.829,314 123.764,318 2.354,319 22.414,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62,331 398,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.184,342 3.074,343 6.073,344 3.726,345 2.8,346 3.816,347 0.86,348 8.904,349 2.582,350 3.897,351 2.923,352 5.344,353 3.522,354 2.524,355 3.444,356 0.149,357 6.972,358 2.52,359 3.742,360 2.72,361 5.322,362 3.33,363 2.401,364 3.151,366 6.904,367 2.259,368 3.584,369 2.594,370 5.234,371 3.193,372 2.247,373 2.846,375 6.52,376 2.076,377 3.192,378 2.113,379 4.469,380 2.703,381 1.756,382 2.401,384 4.46,385 1.636,386 3.025,387 1.78,388 4.381,389 2.606,390 1.63,391 2.276,393 4.383,394 1.576,395 2.956,396 1.58,397 4.238,398 2.462,399 1.526,400 2.119,402 3.84,403 1.415,404 2.886,405 1.52,406 3.719,407 2.409,408 1.45,409 2.043,411 3.309,412 1.373,413 2.596,414 1.357,415 3.509,416 2.21,417 1.24,418 1.641,420 2.754,421 1.198,422 2.5,423 1.108,424 3.424,425 2.033,426 1.097,427 1.5,428 2.503,429 1.024,430 2.443,431 1,432 3.247,433 2,434 1,435 1.436,436 2.136,437 1,438 1.903,439 0.676,440 3.163,441 1.35,442 0.431,443 0.612,445 1.087,446 0.391,447 1.583,448 0.589,449 2.866,450 1.312,451 0.407,452 0.479,454 0.958,455 0.362,456 1.107,457 0.41,458 2.647,459 0.693,460 -0.229,461 -0.277,463 -0.629,464 -0.208,465 14.1,466 0.486,467 0.588,468 0.02,469 41.25,470 1.422,471 22.5,472 0.776,473 18.75,474 0.647,475 21.533,476 0.743,477 29.7,478 0.606,479 28.12,480 0.97,481 7.969,482 0.275,483 6.201,484 0.214,485 0.059,487 0.284,493 0.77,494 1.184,495 0.71,496 0.931,497 0.623,498 0.871,499 0.672,500 1.033,501 0.801,502 0.969,503 0.565,504 0.932,505 1.239,506 1.029,507 1.062,508 0.97,509 1.231,510 0.961,511 1.006,512 1.011,513 0.995,514 0.995,515 0.717,516 0.985,517 1.074,518 1.148,519 1.232,520 1.208,521 0.787,522 1.069,523 1.229,524 0.97,525 0.938,526 0.934,527 0.764,528 0.959,529 1.241,530 1.168,531 0.942,532 1.097,533 1.187,534 1.034,535 0.908,536 0.95,537 0.756,538 0.791,539 0.81,540 0.898,541 5.5,542 0.127,543 2,544 1.542,545 0.987,546 0.782,547 0.475,548 0.312,549 0.184,550 0.178,551 12695,552 35108,553 2.132,554 40.8,555 2,556 11,558 1,559 1,560 3,561 2,564 1.714,565 2.047,566 3.735,567 -0.336,573 80.575,574 1.644,575 3.675,576 4.675,577 5.176,578 5.232,579 5.232,580 3.27,581 4.444,582 4.824,583 3.921,584 1591.93,585 8.374,586 22904.2,588 1,591 275.121,592 1.178,593 4.812,594 0.172,595 0.006,596 0.047,597 0.039,598 0.027,599 0.023,600 0.015,601 0.01,602 0.007,603 0.007,604 0.352,605 0.17,606 1,607 0.769,608 151.275,609 -0.035,610 -0.121,611 0.064,612 -0.006,613 -0.049,614 0.011,615 0.289,616 0.012,617 0.116,618 -0.002,619 0.156,620 -0.017,621 -0.176,622 -0.029,623 -0.061,624 0.025,625 -0.162,626 -0.001,627 -0.021,628 -0.008,629 0.03,630 0.005,631 0.015,632 -0.01,633 -0.102,634 -0.121,635 -0.135,636 -0.165,637 -0.05,638 -0.097,639 -0.089,640 -0.004,641 0.01,642 0.009,643 0.026,644 0.009,645 -0.032,646 -0.201,647 0.014,648 -0.143,649 -0.06,650 -0.08,651 0.044,652 0.039,653 0.076,654 0.066,655 0.005,656 0.059,657 1.797,658 4.229,659 0.724,660 35.831,661 1.004,662 1.115,663 3.667,664 13.446,665 0.708,666 3.497,667 3.784,668 4.007,669 4.277,670 4.477,671 4.533,672 4.7,673 4.804,674 4.875,675 4.97,676 7.953,677 0.672,678 404.53,679 3.497,680 5.017,681 5.844,682 6.703,683 7.548,684 8.415,685 9.271,686 10.142,687 11.005,688 11.881,689 8.2,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,729 1,731 49,733 23,734 2,735 32,737 52,738 22,739 17,740 4,741 8,746 4,747 5,752 1,758 2,761 18,762 4,766 1,771 1,775 1,778 1,781 20,782 6,783 1,784 7,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 29,854 3,855 1,856 1,863 1,870 4.1,873 1,875 1,877 14.167,878 9.183,879 6.389,880 2.942,881 4.153,882 1.535,883 1.003,884 6.112,885 11.915,886 3.807,887 4.41,888 4.979,889 5.605,890 6.145,891 6.437,892 6.933,893 7.366,894 7.657,895 8.05,896 1,897 40,898 10.671,900 4.454,901 7.695,902 20.44,904 16.459,905 2.195,906 63.667,908 1,909 1,910 223.651,911 165.707,912 68.367,914 36.145,916 31.278,917 134.429,918 259.796,919 68.367,920 8.825,921 27.672,922 85.286,923 91.977,924 31.82,925 5.132,926 243.158,928 223.651,929 202.797,930 36.145,931 31.278,933 200.109,934 59.687,937 55.332,938 97.108,939 50.357,940 31.278,941 223.651,942 104.512,943 165.707,946 223.651,947 62.548,948 103.159,949 18.011,950 86.501,951 223.651,952 104.512,953 165.707,955 0.569,956 0.312,957 0.174,958 0.095,959 20,960 8,961 0.135,962 7,963 1,964 1.095,965 4.297,966 242.205,967 0.095,968 21,969 136.881,970 1,974 19.471,975 9.103,976 5.154,977 1.823,978 104.512,979 19.791,980 13.158,983 1.436,984 3.998,986 18.011,987 493.87,988 44,993 11.229,997 -0.13,999 49.207,1000 54.654,1001 0.293,1002 0.655,1003 0.833,1004 0.922,1005 0.932,1006 0.932,1007 5.007,1008 1.526,1009 5.796,1010 4.383,1011 4.466,1012 5.097,1013 2.143,1014 6.541,1015 4.359,1016 6.203,1017 1.45,1018 7.303,1019 3.84,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.732,1025 7.491,1026 1.24,1027 8.906,1028 3.309,1029 5.989,1030 7.299,1031 2.962,1032 10.347,1033 5.776,1034 8.815,1035 1.097,1036 10.567,1037 2.754,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.958,1043 10.17,1044 1,1045 12.267,1046 2.503,1047 7.777,1048 9.8,1049 4.052,1050 14.488,1051 7.46,1052 11.549,1053 0.431,1054 13.993,1055 2.136,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.046,1061 12.946,1062 0.407,1063 15.74,1064 1.087,1065 9.724,1066 12.484,1067 5.254,1068 18.811,1069 9.299,1070 3.064,1071 -0.229,1072 17.502,1073 0.958,1074 10.596,1075 13.707,1076 5.75,1077 20.932,1078 10.098,1079 2.8,1080 9.801,1081 19.276,1082 -0.629,1083 11.769,1084 15.283,1085 6.502,1086 23.232,1087 11.233,1088 2.524,1089 8.904,1090 21.06,1091 4.453,1092 12.752,1093 16.632,1094 7.068,1095 25.43,1096 12.145,1097 2.401,1098 6.972,1099 22.852,1100 3.816,1101 13.876,1102 18.153,1103 7.771,1104 27.705,1105 13.226,1106 2.247,1107 6.904,1108 24.65,1109 3.444,1110 14.915,1111 19.568,1112 8.374,1113 29.939,1114 14.2,1115 1.756,1116 6.52,1117 26.454,1118 3.151,1119 16.021,1120 21.066,1121 9.051,1122 32.206,1123 15.257,1124 1.63,1125 4.46,1126 28.262,1127 2.846,1128 17.09,1129 22.516,1130 9.674,1131 34.458,1132 16.265,1133 11968,1134 20124,1135 21.959,1136 34.671,1137 47.514,1138 48.071,1139 47.415,1140 47.121,1141 47.146,1142 64.434,1143 5.832,1144 129.062,1145 44.637,1146 5.41,1147 5.536,1148 6.145,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.301,1154 4.905,1155 10.614,1156 1.485,1157 1.502,1158 1.482,1159 1.473,1160 1.473,1161 2.014,1162 0.182,1163 4.033,1164 1.395,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.026,1171 3.924,1172 3.956,1173 3.858,1174 3.864,1175 5.083,1176 3.855,1177 3.8,1178 3.839,1179 3.81,1180 3.655,1181 4.93,1182 3.663,1183 3.576,1184 3.622,1185 3.506,1186 3.392,1187 4.751,1188 3.39,1189 3.511,1190 3.569,1191 3.38,1192 3.338,1193 4.393,1194 3.343,1195 3.231,1196 3.271,1197 3.31,1198 3.151,1199 4.253,1200 3.111,1201 3.03,1202 3.083,1203 2.928,1204 2.854,1205 3.916,1206 2.853,1207 2.887,1208 2.941,1209 2.845,1210 2.787,1211 3.865,1212 2.771,1213 0.141,1214 0.11,1215 0.198,1216 0.125,1217 0.096,1218 4.516,1219 0.139,1220 3.536,1221 0.06,1222 6.343,1223 0.306,1224 4.005,1225 0.091,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.952,1232 1.935,1233 2.065,1234 2.041,1235 1.278,1236 2.04,1237 1.923,1238 1.893,1239 2.008,1240 2.005,1241 1.158,1242 2.022,1243 1.66,1244 1.623,1245 1.808,1246 1.84,1247 0.976,1248 1.823,1249 1.526,1250 1.482,1251 1.732,1252 1.774,1253 0.744,1254 1.763,1255 1.519,1256 1.461,1257 1.713,1258 1.691,1259 0.733,1260 1.715,1261 1.195,1262 1.168,1263 1.308,1264 1.352,1265 0.5,1266 1.381,1267 1.011,1268 0.962,1269 1.249,1270 1.243,1271 0.432,1272 1.264,1273 0.897,1274 0.862,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.174,1281 5.468,1282 2.398,1283 6.944,1284 4.727,1285 8.505,1286 6.823,1287 10.114,1289 1.472,1295 2.419,1296 2.726,1297 5.746,1305 32.917,1306 80.575,1307 180.088,1308 229.082,1309 253.611,1310 256.366,1311 256.366,1312 40.317,1313 7.763,1314 77,1315 105.24,1316 23,1317 12.423,1318 4.585,1319 3.7,1320 45.031,1321 136,1322 140,1323 0.156,1324 206.328,1325 347.17,1326 495.199,1327 28611,1329 20.054,1330 0.692,1331 0.579,1332 20.407,1333 16.778,1334 14.17,1335 0.443,1336 0.318,1337 9.317,1338 13.26,1339 9.019,1340 7.493,1341 14.578,1342 10.172,1343 12.641,1344 0.294,1345 0.176,1346 13.31,1347 7.575,1348 9.947,1349 0.184,1350 0.097,1351 10.682,1352 5.218,1353 8.567,1354 0.121,1355 0.055,1356 9.509,1357 3.895,1358 6.795,1359 0.078,1360 0.029,1361 7.541,1362 2.54,1363 0.255,1364 92.266,1365 0.213,1366 28.338,1367 0.405,1368 150,1369 449.6,1370 190.707,1371 457.181,1372 629.93,1373 430,1374 172,1375 451.186,1376 206.303,1377 472.203,1378 688.77,1379 445,1380 7.495}
{0 CHEMBL1773569,1 1.723,2 13.724,3 2.138,4 4.569,5 111.519,6 7.953,7 0.5,8 4.067,9 4.178,10 3.732,11 3.585,12 5.14,13 3.563,14 4.625,15 4.797,16 4.107,17 3.951,18 5.707,19 3.907,20 4.802,21 5.011,22 4.02,23 4.046,24 5.781,25 3.958,26 4.785,27 5.016,28 3.981,29 4.023,30 5.726,31 3.902,32 4.742,33 4.978,34 3.87,35 3.934,36 5.662,37 3.825,38 4.677,39 4.904,40 3.814,41 3.836,42 5.656,43 3.747,44 4.526,45 4.722,46 3.777,47 3.71,48 5.587,49 3.647,50 4.45,51 4.685,52 3.613,53 3.638,54 5.439,55 3.562,56 0.06,57 0.808,58 10.548,59 4.795,60 5.766,61 5.876,62 0.506,63 1.283,64 23.305,65 7.639,66 34.052,67 9.797,68 0.548,69 1.431,70 30.245,71 9.739,72 43.917,73 12.278,74 0.466,75 1.396,76 30.27,77 10.242,78 38.846,79 13.475,80 0.383,81 1.314,82 31.213,83 9.807,84 32.66,85 12.84,86 0.479,87 1.185,88 26.699,89 8.817,90 37.765,91 11.271,92 0.487,93 1.045,94 23.085,95 7.19,96 36.606,97 9.207,98 0.326,99 1.023,100 19.136,101 6.062,102 28.569,103 8.646,104 7,105 43,106 0.287,107 0.619,108 0.791,109 0.851,110 0.851,111 0.851,112 3.407,113 0.978,114 -3.17,115 -3.16,116 -3.04,119 38.5,120 1,121 1,125 6,142 4,143 1,145 1,146 2,150 1,152 1,158 1,162 1,172 3,174 3,175 8,178 2,180 2,183 4,186 1,187 4,195 5,198 2,199 9,204 2,207 3,212 6,217 2,220 1,223 3,224 5,232 4,236 1,237 4,240 1,242 1,245 4,249 2,250 2,258 1,262 3,263 4,266 2,271 2,275 1526,276 19.878,277 19.878,278 19.878,279 19.878,280 19.878,281 17.9,282 21.105,283 12.124,284 20.687,285 15.892,286 15.892,287 15.892,288 15.892,289 15.892,290 12.838,291 27.872,292 5.867,293 17.228,294 3.978,295 1.988,296 0.957,297 0.591,298 0.591,299 0.591,300 4.109,304 1,305 1,306 865,307 3.391,310 70.608,311 283.829,314 123.764,318 2.354,319 26.286,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 398,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.184,342 3.074,343 6.073,344 3.726,345 2.8,346 3.816,347 0.86,348 8.904,349 2.582,350 3.742,351 2.927,352 5.344,353 3.439,354 2.524,355 3.151,356 0.86,357 6.972,358 2.308,359 3.585,360 2.878,361 5.322,362 3.329,363 2.401,364 2.846,365 0.8,366 6.904,367 2.259,368 3.519,369 2.6,370 5.234,371 3.192,372 2.247,373 2.521,374 0.149,375 6.52,376 2.074,377 3.192,378 2.175,379 4.469,380 2.7,381 1.756,382 2.4,384 4.46,385 1.621,386 3.024,387 2.11,388 4.381,389 2.555,390 1.63,391 2.275,393 4.383,394 1.498,395 2.897,396 1.743,397 4.238,398 2.452,399 1.526,400 2.049,402 3.84,403 1.397,404 2.621,405 1.524,406 3.719,407 2.379,408 1.45,409 1.649,411 3.309,412 1.34,413 2.585,414 1.402,415 3.509,416 2.151,417 1.24,418 1.605,420 2.754,421 1.114,422 2.311,423 1.256,424 3.424,425 2.032,426 1.097,427 1.305,428 2.503,429 1.022,430 2,431 1.11,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.903,439 0.766,440 3.163,441 1.326,442 0.431,443 0.612,445 1.087,446 0.382,447 1.506,448 0.589,449 2.866,450 1.309,451 0.407,452 0.451,454 0.958,455 0.361,456 1.107,457 0.41,458 2.647,459 0.692,460 -0.229,461 -0.277,463 -0.629,464 -0.208,465 13.833,466 0.477,467 0.588,468 0.02,469 36.5,470 1.259,471 16.5,472 0.569,473 20,474 0.69,475 24.347,476 0.84,477 31.767,478 0.611,479 25.307,480 0.873,481 7.068,482 0.244,483 7.102,484 0.245,485 0.06,487 0.282,493 0.835,494 1.468,495 0.727,496 1.101,497 0.622,498 0.988,499 1.054,500 1.027,501 0.857,502 0.889,503 0.651,504 0.873,505 1.254,506 0.957,507 1.074,508 0.889,509 1.166,510 0.926,511 0.746,512 0.976,513 0.925,514 0.982,515 0.589,516 0.99,517 0.9,518 1.053,519 1.067,520 1.095,521 0.702,522 0.968,523 1.18,524 0.842,525 0.908,526 0.864,527 0.8,528 0.905,529 1.211,530 1.159,531 0.951,532 1.047,533 1.234,534 1.011,535 0.832,536 1.067,537 0.802,538 0.861,539 0.875,540 0.972,541 5.5,542 0.127,543 2,544 1.542,545 0.987,546 0.782,547 0.475,548 0.312,549 0.184,550 0.178,551 12695,552 35369,553 2.132,554 44.2,556 16,558 1,559 1,560 3,562 2,564 1.714,565 2.047,566 3.735,567 -0.268,568 1,569 1,573 89.578,574 1.723,575 3.713,576 4.743,577 5.109,578 5.109,579 5.109,580 3.27,581 4.444,582 4.824,583 3.921,584 1591.93,585 8.374,586 22904.2,588 1,590 1,591 296.423,592 1.178,593 4.812,594 0.172,595 0.006,596 0.047,597 0.039,598 0.027,599 0.023,600 0.015,601 0.01,602 0.007,603 0.007,604 0.352,605 0.33,606 1,607 0.769,608 151.275,609 -0.049,610 -0.28,611 0.078,612 -0.082,613 -0.019,614 -0.027,615 0.049,616 0.069,617 0.093,618 0.092,619 0.114,620 0.06,621 -0.198,622 0.065,623 -0.08,624 0.1,625 -0.132,626 0.035,627 0.043,628 0.017,629 0.064,630 0.029,631 0.085,632 0.017,633 -0.053,634 -0.075,635 0.003,636 -0.045,637 0.006,638 0.047,639 -0.077,640 0.101,641 0.036,642 0.077,643 0.008,644 0.066,645 -0.002,646 -0.188,647 0.005,648 -0.083,649 -0.088,650 -0.055,651 -0.016,652 -0.038,653 0.001,654 -0.025,655 -0.072,656 -0.036,657 1.796,658 4.23,659 0.724,660 35.831,661 1.01,662 1.13,663 1.94,664 3.762,665 0.671,666 3.497,667 3.784,668 4.007,669 4.277,670 4.477,671 4.533,672 4.7,673 4.804,674 4.875,675 4.97,676 7.953,677 0.638,678 413.55,679 3.497,680 5.017,681 5.844,682 6.703,683 7.548,684 8.415,685 9.271,686 10.142,687 11.005,688 11.881,689 9.6,692 1,696 1,699 3,703 2,704 5,705 3,708 1,709 4,711 16,729 1,731 52,733 17,734 1,735 32,737 55,738 20,739 11,740 3,741 3,746 4,747 5,752 1,758 1,761 12,762 8,766 1,771 1,775 1,778 1,781 23,782 8,783 1,784 9,785 1,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,836 1,839 1,840 3,842 1,844 1,848 29,854 7,855 1,856 2,859 1,863 1,870 5.8,873 1,874 1,875 1,877 14.167,878 9.633,879 6.389,880 3.172,881 3.282,882 1.423,883 0.981,884 6.648,885 11.044,886 3.738,887 4.301,888 4.849,889 5.477,890 6.017,891 6.388,892 6.902,893 7.341,894 7.63,895 8.018,896 1,897 40,898 10.708,900 4.467,901 7.69,902 20.637,904 16.669,905 2.19,906 63.5,910 258.964,911 128.108,912 71.492,914 47.145,916 31.278,917 96.83,918 306.109,919 71.492,920 8.825,921 40.64,922 37.905,923 102.977,924 31.759,925 5.132,926 278.471,928 258.964,929 168.321,930 47.145,931 31.278,933 235.422,934 59.687,935 11,937 71.424,938 46.541,939 50.357,940 31.278,941 258.964,942 118.636,943 128.108,946 258.964,947 72.33,948 58.902,949 18.011,950 97.501,951 258.964,952 118.636,953 128.108,955 0.569,956 0.312,957 0.174,958 0.095,959 20,960 8,961 0.127,962 7,963 1,964 1.095,965 4.297,966 242.205,967 0.095,968 21,969 136.881,970 1,974 20.143,975 9.571,976 5.473,977 1.828,978 118.636,979 9.473,980 13.172,983 1.438,984 2.722,986 18.011,987 505.708,988 41,993 11.23,997 -0.129,999 52.52,1000 58.777,1001 0.302,1002 0.651,1003 0.832,1004 0.896,1005 0.896,1006 0.896,1007 4.956,1008 1.526,1009 5.796,1010 4.383,1011 4.466,1012 4.987,1013 2.395,1014 6.541,1015 4.316,1016 6.129,1017 1.45,1018 7.303,1019 3.84,1020 3.892,1021 4.732,1022 1.668,1023 7.261,1024 3.692,1025 7.412,1026 1.24,1027 8.906,1028 3.309,1029 5.989,1030 7.155,1031 3.039,1032 10.347,1033 5.702,1034 8.73,1035 1.097,1036 10.567,1037 2.754,1038 6.236,1039 7.774,1040 3.047,1041 11.923,1042 5.898,1043 10.083,1044 1,1045 12.267,1046 2.503,1047 7.777,1048 9.668,1049 4.07,1050 14.488,1051 7.367,1052 11.461,1053 0.431,1054 13.993,1055 2.136,1056 8.435,1057 10.72,1058 4.412,1059 16.439,1060 7.971,1061 12.86,1062 0.407,1063 15.74,1064 1.087,1065 9.724,1066 12.383,1067 5.258,1068 18.811,1069 9.199,1070 3.064,1071 -0.229,1072 17.502,1073 0.958,1074 10.596,1075 13.655,1076 5.75,1077 20.932,1078 10.017,1079 2.8,1080 9.801,1081 19.276,1082 -0.629,1083 11.769,1084 15.215,1085 6.503,1086 23.232,1087 11.136,1088 2.524,1089 8.904,1090 21.06,1091 4.453,1092 12.752,1093 16.595,1094 7.068,1095 25.43,1096 12.065,1097 2.401,1098 6.972,1099 22.852,1100 3.816,1101 13.876,1102 18.109,1103 7.771,1104 27.705,1105 13.138,1106 2.247,1107 6.904,1108 24.65,1109 3.151,1110 14.915,1111 19.543,1112 8.374,1113 29.939,1114 14.125,1115 1.756,1116 6.52,1117 26.454,1118 2.846,1119 16.021,1120 21.039,1121 9.051,1122 32.206,1123 15.181,1124 1.63,1125 4.46,1126 28.262,1127 2.521,1128 17.09,1129 22.499,1130 9.674,1131 34.458,1132 16.199,1133 11968,1134 20187,1135 21.959,1136 34.892,1137 47.298,1138 48.211,1139 47.415,1140 47.107,1141 47.146,1142 60.267,1143 9.152,1144 129.062,1145 43.616,1146 5.516,1147 5.536,1148 6.145,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.301,1154 4.905,1155 10.614,1156 1.478,1157 1.507,1158 1.482,1159 1.472,1160 1.473,1161 1.883,1162 0.286,1163 4.033,1164 1.363,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.025,1171 3.84,1172 3.896,1173 3.833,1174 3.666,1175 5.083,1176 3.675,1177 3.783,1178 3.83,1179 3.691,1180 3.601,1181 4.93,1182 3.61,1183 3.572,1184 3.618,1185 3.502,1186 3.361,1187 4.627,1188 3.375,1189 3.499,1190 3.557,1191 3.37,1192 3.31,1193 4.397,1194 3.309,1195 3.23,1196 3.271,1197 3.3,1198 3.15,1199 4.256,1200 3.109,1201 3.111,1202 3.206,1203 2.92,1204 2.941,1205 3.97,1206 2.91,1207 3.02,1208 3.079,1209 2.866,1210 2.806,1211 3.914,1212 2.798,1213 0.141,1214 0.11,1215 0.198,1216 0.125,1217 0.096,1218 4.516,1219 0.139,1220 3.536,1221 0.06,1222 6.343,1223 0.306,1224 4.005,1225 0.091,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.952,1232 1.934,1233 2.01,1234 2.04,1235 1.29,1236 2.034,1237 1.758,1238 1.697,1239 1.977,1240 1.991,1241 1.158,1242 1.99,1243 1.652,1244 1.613,1245 1.792,1246 1.839,1247 1.072,1248 1.821,1249 1.525,1250 1.482,1251 1.731,1252 1.774,1253 0.825,1254 1.763,1255 1.485,1256 1.426,1257 1.711,1258 1.694,1259 0.744,1260 1.712,1261 1.195,1262 1.168,1263 1.513,1264 1.376,1265 0.734,1266 1.429,1267 1.153,1268 1.064,1269 1.279,1270 1.353,1271 0.489,1272 1.381,1273 0.953,1274 0.909,1275 1.249,1276 1.265,1277 0.432,1278 1.267,1279 4.174,1281 5.468,1282 2.398,1283 6.944,1284 4.727,1285 8.505,1286 6.823,1287 10.114,1289 1.473,1295 6.069,1296 2.727,1297 11.118,1300 2.379,1305 33.18,1306 89.578,1307 193.062,1308 246.648,1309 265.668,1310 265.668,1311 265.668,1312 41.562,1313 7.763,1314 89.47,1315 117.71,1316 23,1317 12.423,1318 4.17,1319 3.322,1320 45.031,1321 136,1322 140,1323 0.156,1324 206.716,1325 351.18,1326 496.146,1327 28611,1329 20.054,1330 0.692,1331 0.589,1332 20.407,1333 17.075,1334 14.17,1335 0.443,1336 0.326,1337 9.508,1338 13.008,1339 9.247,1340 7.596,1341 14.578,1342 10.434,1343 12.641,1344 0.294,1345 0.181,1346 13.31,1347 7.794,1348 9.947,1349 0.184,1350 0.102,1351 10.682,1352 5.488,1353 8.567,1354 0.121,1355 0.058,1356 9.509,1357 4.087,1358 6.795,1359 0.078,1360 0.031,1361 7.541,1362 2.673,1363 0.255,1364 93.878,1365 0.213,1366 28.338,1367 0.405,1368 150,1369 480.98,1370 195.667,1371 472.378,1372 643.74,1373 446,1374 172,1375 450.935,1376 211.569,1377 466.501,1378 684.77,1379 439,1380 6.83}
{0 CHEMBL1773570,1 1.751,2 12.964,3 2.075,4 4.306,5 106.653,6 8.153,7 0.516,8 4.016,9 4.124,10 3.704,11 3.535,12 5.109,13 3.519,14 4.568,15 4.735,16 4.084,17 3.899,18 5.675,19 3.863,20 4.731,21 4.93,22 3.997,23 3.994,24 5.745,25 3.914,26 4.707,27 4.928,28 3.959,29 3.965,30 5.675,31 3.853,32 4.696,33 4.931,34 3.846,35 3.848,36 5.658,37 3.757,38 4.524,39 4.722,40 3.798,41 3.75,42 5.58,43 3.683,44 4.412,45 4.602,46 3.761,47 3.667,48 5.519,49 3.621,50 4.43,51 4.657,52 3.591,53 3.631,54 5.452,55 3.546,56 0.074,57 0.769,58 9.501,59 4.463,60 6.275,61 5.322,62 0.516,63 1.22,64 21.474,65 7.074,66 33.479,67 8.81,68 0.599,69 1.35,70 27.677,71 8.98,72 43.851,73 10.953,74 0.373,75 1.315,76 27.171,77 9.617,78 35.668,79 12.388,80 0.535,81 1.23,82 30.829,83 9.156,84 38.878,85 11.47,86 0.479,87 1.064,88 21.854,89 7.454,90 33.13,91 9.233,92 0.331,93 1.027,94 19.075,95 5.841,96 30.054,97 7.526,98 0.419,99 0.988,100 18.376,101 6.122,102 33.217,103 8.503,104 7,105 42,106 0.295,107 0.628,108 0.773,109 0.829,110 0.848,111 0.848,112 3.374,113 0.961,114 -2.94,115 -2.95,116 -2.85,119 38.8,120 1,125 6,142 4,143 1,145 1,146 2,150 1,152 1,158 1,162 1,172 3,174 3,175 6,178 2,180 2,183 4,186 2,187 4,195 5,198 1,199 7,204 2,207 3,211 2,212 5,217 2,220 1,223 2,224 5,232 2,237 6,240 1,242 1,245 2,249 4,250 2,262 1,263 3,266 2,271 1,275 1354,276 19.17,277 19.17,278 19.17,279 19.17,280 19.17,281 17.193,282 19.336,283 11.624,284 19.983,285 15.392,286 15.392,287 15.392,288 15.392,289 15.392,290 12.338,291 25.193,292 5.62,293 16.728,294 3.864,295 1.887,296 1.031,297 0.699,298 0.587,299 0.587,300 4.076,304 1,305 1,306 790,307 3.24,310 66.725,311 266.882,314 117.029,318 2.181,319 25.99,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61.5,331 363,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.184,342 3.075,343 6.073,344 3.726,345 2.801,346 3.816,347 0.86,348 8.904,349 2.582,350 3.744,351 2.949,352 5.358,353 3.441,354 2.528,355 3.151,356 0.86,357 7.007,358 2.303,359 3.589,360 2.859,361 5.308,362 3.325,363 2.392,364 2.846,365 0.8,366 6.868,367 2.257,368 3.509,369 2.592,370 5.232,371 3.184,372 2.242,373 2.519,374 0.149,375 6.516,376 2.066,377 3.191,378 2.174,379 4.469,380 2.694,381 1.751,382 2.399,384 4.458,385 1.612,386 3.023,387 2.104,388 4.381,389 2.49,390 1.579,391 2.274,393 4.383,394 1.431,395 2.891,396 1.672,397 4.237,398 2.439,399 1.52,400 2.044,402 3.829,403 1.383,404 2.598,405 1.521,406 3.676,407 2.353,408 1.426,409 1.641,411 3.216,412 1.303,413 2.548,414 1.315,415 3.492,416 2.042,417 1.111,418 1.55,420 2.582,421 1.031,422 2.095,423 1.256,424 3.293,425 1.952,426 1,427 1.075,428 2.212,429 0.946,430 2,431 1.104,432 3.247,433 1.898,434 1,435 1,436 2.136,437 0.889,438 1.903,439 0.589,440 3.162,441 1.314,442 0.411,443 0.611,445 1.082,446 0.364,447 1.132,448 0.411,449 2.672,450 0.89,456 1.1,457 0.347,458 2.6,459 0.692,460 -0.23,461 -0.277,463 -0.631,464 -0.208,465 13.333,466 0.476,467 0.588,468 0.021,469 36,470 1.286,471 16.5,472 0.589,473 19.5,474 0.696,475 22.603,476 0.807,477 30.467,478 0.622,479 25.015,480 0.893,481 7.062,482 0.252,483 6.608,484 0.236,485 0.063,487 0.293,493 0.841,494 1.465,495 0.711,496 1.086,497 0.626,498 0.968,499 1.071,500 1.006,501 0.847,502 0.86,503 0.66,504 0.84,505 1.252,506 0.918,507 1.101,508 0.87,509 1.198,510 0.923,511 0.697,512 1.092,513 0.917,514 1.083,515 0.574,516 1.055,517 1.132,518 0.862,519 1.092,520 0.966,521 0.803,522 0.855,523 1.142,524 1.054,525 0.919,526 0.914,527 0.792,528 0.936,529 1.089,530 1.233,531 1.005,532 1.105,533 1.31,534 1.063,535 0.732,536 0.925,537 0.825,538 0.852,539 0.799,540 1.016,541 5.5,542 0.107,543 2,544 1.542,545 0.907,546 0.893,547 0.434,548 0.263,549 0.257,550 0.137,551 11232,552 32278,553 2.137,554 42.9,556 16,558 1,559 1,560 3,564 1.706,565 2.049,566 3.66,567 -0.252,568 1,569 1,573 85.807,574 1.751,575 3.727,576 4.583,577 4.915,578 5.028,579 5.028,580 3.146,581 4.379,582 4.773,583 3.833,584 1448.98,585 8.279,586 19977.2,588 1,590 1,591 275.121,592 1.198,593 4.76,594 0.177,595 0.005,596 0.048,597 0.04,598 0.026,599 0.027,600 0.014,601 0.009,602 0.01,603 0.006,604 0.361,605 0.33,606 1,607 0.787,608 143.54,609 -0.06,610 -0.291,611 0.076,612 -0.085,613 -0.03,614 -0.029,615 0.032,616 0.086,617 0.097,618 0.113,619 0.102,620 0.08,621 -0.184,622 0.112,623 -0.11,624 0.119,625 -0.152,626 0.028,627 0.041,628 -0.099,629 0.068,630 -0.061,631 0.091,632 -0.038,633 -0.094,634 0.095,635 0.016,636 0.072,637 -0.033,638 0.144,639 -0.031,640 -0.084,641 0.016,642 0.044,643 0.026,644 0.027,645 -0.138,646 -0.149,647 -0.092,648 -0.17,649 -0.185,650 -0.14,651 0.096,652 0.086,653 -0.031,654 -0.013,655 -0.017,656 -0.073,657 1.797,658 4.219,659 0.75,660 32.602,661 1.013,662 1.13,663 1.712,664 2.932,665 0.676,666 3.466,667 3.761,668 3.989,669 4.263,670 4.466,671 4.533,672 4.7,673 4.812,674 4.89,675 4.99,676 7.51,677 0.646,678 399.52,679 3.466,680 4.99,681 5.82,682 6.683,683 7.531,684 8.401,685 9.259,686 10.134,687 10.998,688 11.876,689 10.2,692 1,696 1,699 3,703 2,704 5,705 3,708 1,709 4,711 16,729 1,731 49,733 17,734 1,735 31,737 52,738 19,739 11,740 3,741 3,746 4,747 5,752 1,761 12,762 7,766 1,771 1,775 1,778 1,781 21,782 8,783 1,784 9,785 1,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,836 1,839 1,840 3,842 1,844 1,848 28,854 6,855 1,856 2,859 1,863 1,870 6.1,873 1,874 1,875 1,877 13.667,878 9.133,879 6.139,880 2.922,881 3.283,882 1.426,883 0.986,884 6.102,885 10.996,886 3.714,887 4.287,888 4.841,889 5.473,890 6.015,891 6.39,892 6.904,893 7.346,894 7.637,895 8.027,896 0.889,897 39,898 10.329,900 4.324,901 7.714,902 19.821,904 16.003,905 2.214,906 62,910 235.422,911 125.573,912 71.492,914 47.145,916 31.278,917 94.295,918 282.567,919 71.492,920 8.825,921 38.105,922 37.905,923 102.977,924 31.759,925 5.132,926 254.929,928 235.422,929 165.787,930 47.145,931 31.278,933 235.422,934 36.145,935 11,937 68.889,938 46.541,939 50.357,940 31.278,941 235.422,942 118.636,943 125.573,946 235.422,947 69.795,948 58.902,949 18.011,950 97.501,951 235.422,952 118.636,953 125.573,955 0.572,956 0.314,957 0.175,958 0.095,959 20,960 8,961 0.115,962 6,963 1,964 1.095,965 4.176,966 233.858,967 0.095,968 21,969 130.606,970 1,974 19.186,975 8.906,976 5.03,977 1.822,978 118.636,979 9.447,980 13.144,983 1.435,984 2.697,986 18.011,987 479.631,988 40,993 11.219,997 -0.131,999 49.636,1000 55.361,1001 0.312,1002 0.664,1003 0.816,1004 0.875,1005 0.895,1006 0.895,1007 4.934,1008 1.52,1009 5.778,1010 4.383,1011 4.443,1012 4.973,1013 2.395,1014 6.529,1015 4.289,1016 6.114,1017 1.426,1018 7.29,1019 3.829,1020 3.892,1021 4.732,1022 1.668,1023 7.261,1024 3.692,1025 7.401,1026 1.111,1027 8.897,1028 3.216,1029 5.974,1030 7.15,1031 3.039,1032 10.344,1033 5.682,1034 8.722,1035 1,1036 10.561,1037 2.582,1038 6.236,1039 7.774,1040 3.047,1041 11.923,1042 5.898,1043 10.077,1044 1,1045 12.262,1046 2.212,1047 7.769,1048 9.666,1049 4.07,1050 14.488,1051 7.354,1052 11.457,1053 0.411,1054 13.99,1055 2.136,1056 8.435,1057 10.72,1058 4.412,1059 16.439,1060 7.971,1061 12.857,1063 15.738,1064 1.082,1065 9.72,1066 12.383,1067 5.258,1068 18.811,1069 9.192,1070 3.064,1071 -0.23,1072 17.501,1074 10.596,1075 13.655,1076 5.75,1077 20.932,1078 10.016,1079 2.801,1080 9.801,1081 19.275,1082 -0.631,1083 11.767,1084 15.215,1085 6.503,1086 23.232,1087 11.131,1088 2.528,1089 8.904,1090 21.059,1091 4.453,1092 12.752,1093 16.595,1094 7.068,1095 25.43,1096 12.063,1097 2.392,1098 7.007,1099 22.851,1100 3.816,1101 13.875,1102 18.109,1103 7.771,1104 27.705,1105 13.135,1106 2.242,1107 6.868,1108 24.65,1109 3.151,1110 14.916,1111 19.543,1112 8.374,1113 29.939,1114 14.124,1115 1.751,1116 6.516,1117 26.454,1118 2.846,1119 16.021,1120 21.039,1121 9.051,1122 32.206,1123 15.179,1124 1.579,1125 4.458,1126 28.262,1127 2.519,1128 17.091,1129 22.499,1130 9.674,1131 34.458,1132 16.198,1133 10591,1134 18137,1135 21.266,1136 33.131,1137 46.034,1138 46.76,1139 46.092,1140 45.653,1141 45.653,1142 58.759,1143 9.152,1144 125.988,1145 42.146,1146 5.516,1147 5.536,1148 6.145,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.301,1154 4.905,1155 10.326,1156 1.485,1157 1.508,1158 1.487,1159 1.473,1160 1.473,1161 1.895,1162 0.295,1163 4.064,1164 1.36,1165 4.081,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.025,1171 3.836,1172 3.888,1173 3.833,1174 3.663,1175 5.083,1176 3.672,1177 3.772,1178 3.821,1179 3.68,1180 3.579,1181 4.93,1182 3.592,1183 3.568,1184 3.613,1185 3.498,1186 3.353,1187 4.628,1188 3.37,1189 3.394,1190 3.446,1191 3.349,1192 3.187,1193 4.391,1194 3.185,1195 3.221,1196 3.264,1197 3.213,1198 3.131,1199 4.253,1200 3.094,1201 3.111,1202 3.206,1203 2.888,1204 2.941,1205 3.916,1206 2.91,1207 2.903,1208 2.951,1209 2.866,1210 2.797,1211 3.882,1212 2.782,1213 0.146,1214 0.114,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 3.536,1221 0.062,1222 6.343,1223 0.316,1224 4.005,1225 0.094,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.952,1232 1.934,1233 2.009,1234 2.04,1235 1.254,1236 2.034,1237 1.74,1238 1.681,1239 1.956,1240 1.982,1241 1.158,1242 1.979,1243 1.647,1244 1.607,1245 1.748,1246 1.83,1247 0.929,1248 1.807,1249 1.525,1250 1.482,1251 1.725,1252 1.772,1253 0.825,1254 1.761,1255 1.352,1256 1.293,1257 1.638,1258 1.598,1259 0.742,1260 1.612,1261 1.195,1262 1.168,1263 1.513,1264 1.376,1265 0.731,1266 1.429,1267 1.153,1268 1.064,1269 1.25,1270 1.351,1271 0.432,1272 1.381,1273 0.904,1274 0.876,1275 1.081,1276 1.11,1277 0.247,1278 1.097,1279 4.143,1281 5.442,1282 2.398,1283 6.925,1284 4.727,1285 8.491,1286 6.823,1287 10.103,1289 1.471,1295 4.775,1296 2.724,1297 11.093,1300 2.303,1305 31.653,1306 85.807,1307 182.643,1308 224.591,1309 240.856,1310 246.366,1311 246.366,1312 38.766,1313 7.713,1314 89.47,1315 117.71,1316 23,1317 12.417,1318 4.17,1319 3.322,1320 42.68,1321 124,1322 126,1323 0.164,1324 197.123,1325 333.88,1326 472.741,1327 26180,1329 19.347,1330 0.691,1331 0.585,1332 19.7,1333 16.368,1334 13.67,1335 0.441,1336 0.32,1337 9.008,1338 12.51,1339 8.757,1340 7.181,1341 14.078,1342 9.934,1343 12.288,1344 0.293,1345 0.177,1346 12.957,1347 7.44,1348 9.697,1349 0.183,1350 0.1,1351 10.432,1352 5.277,1353 8.396,1354 0.12,1355 0.056,1356 9.338,1357 3.901,1358 6.637,1359 0.077,1360 0.029,1361 7.382,1362 2.524,1363 0.264,1364 90.878,1365 0.217,1366 27.353,1367 0.429,1368 146,1369 476.98,1370 191.667,1371 468.217,1372 637.98,1373 442,1374 168,1375 446.935,1376 207.625,1377 462.344,1378 679.13,1379 435,1380 5.81}
{0 CHEMBL1773571,1 1.768,2 12,3 2.18,4 4.753,5 95.469,6 8.336,7 0.593,8 3.875,9 3.976,10 3.58,11 3.41,12 5.03,13 3.391,14 4.388,15 4.544,16 3.946,17 3.743,18 5.557,19 3.703,20 4.487,21 4.665,22 3.862,23 3.798,24 5.585,25 3.732,26 4.491,27 4.689,28 3.868,29 3.773,30 5.584,31 3.69,32 4.399,33 4.588,34 3.742,35 3.711,36 5.466,37 3.633,38 4.415,39 4.619,40 3.68,41 3.657,42 5.502,43 3.579,44 4.264,45 4.437,46 3.614,47 3.541,48 5.387,49 3.475,50 4.28,51 4.519,52 3.363,53 3.423,54 5.284,55 3.33,56 0.075,57 0.651,58 7.924,59 3.974,60 7.095,61 4.543,62 0.472,63 1.004,64 18.03,65 6.338,66 33.099,67 7.514,68 0.4,69 1.081,70 21.337,71 7.365,72 40.348,73 8.382,74 0.514,75 1.072,76 22.311,77 7.394,78 39.051,79 8.835,80 0.281,81 1.025,82 21.095,83 6.883,84 23.464,85 8.215,86 0.437,87 0.961,88 19.519,89 6.773,90 33.507,91 8.31,92 0.249,93 0.852,94 16.257,95 5.91,96 24.451,97 7.207,98 0.341,99 0.817,100 16.576,101 5.56,102 30.846,103 7.437,104 21,105 36,106 0.307,107 0.663,108 0.832,109 0.88,110 0.88,111 0.88,112 3.266,113 0.956,114 -3.22,115 -3.21,116 -3.08,119 39.5,120 1,121 1,124 1,125 2,142 4,143 1,145 1,146 2,150 1,152 1,158 1,162 1,172 3,174 3,175 8,178 2,180 2,183 4,187 4,195 5,198 2,199 9,204 2,207 3,212 5,217 2,220 1,223 3,224 5,232 4,237 4,240 1,242 1,245 4,249 2,250 2,258 1,262 1,263 4,266 2,271 2,275 991,276 17.024,277 17.024,278 17.024,279 17.024,280 17.024,281 15.047,282 15.466,283 10.506,284 17.753,285 13.374,286 13.374,287 13.374,288 13.374,289 13.374,290 10.321,291 19.061,292 5.044,293 14.511,294 3.658,295 1.614,296 0.64,297 0.361,298 0.361,299 0.361,300 3.951,303 1,304 1,305 1,306 630,307 3.464,310 58.273,311 148.742,314 102.761,318 2,319 23.713,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55,331 300,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.184,342 3.073,343 6.073,344 3.726,345 2.8,346 3.816,347 0.86,348 8.904,349 2.582,350 3.742,351 2.921,352 5.326,353 3.332,354 2.405,355 3.151,356 0.86,357 6.911,358 2.259,359 3.584,360 2.604,361 5.235,362 3.196,363 2.249,364 2.846,365 0.149,366 6.521,367 2.079,368 3.193,369 2.214,370 4.469,371 2.718,372 1.777,373 2.401,375 4.46,376 1.645,377 3.025,378 2.105,379 4.381,380 2.636,381 1.707,382 2.276,384 4.383,385 1.563,386 2.906,387 1.699,388 4.239,389 2.455,390 1.526,391 2.054,393 3.848,394 1.4,395 2.713,396 1.522,397 3.715,398 2.377,399 1.428,400 1.726,402 3.312,403 1.344,404 2.591,405 1.362,406 3.482,407 2.04,408 1.109,409 1.633,411 2.55,412 1.029,413 2.076,414 1.107,415 3.164,416 1.866,417 1,418 1.059,420 1.845,421 0.857,422 1.903,423 0.646,424 3.069,425 1.314,426 0.411,427 0.611,428 1.082,429 0.365,430 1.288,431 0.589,432 2.651,433 1.076,434 0.201,435 0.213,436 0.341,437 0.174,438 1.106,439 0.41,440 2.51,441 0.692,442 -0.229,443 -0.277,445 -0.63,446 -0.208,447 0.875,448 -0.019,449 2.365,450 0.452,451 -0.479,452 -0.563,454 -0.966,455 -0.434,456 0.702,457 -0.077,458 2.202,459 0.337,460 -0.586,461 -0.744,463 -1.521,464 -0.543,465 11.933,466 0.477,467 0.52,468 0.021,469 33.25,470 1.33,471 16.5,472 0.66,473 16.75,474 0.67,475 18.729,476 0.749,477 27.067,478 0.629,479 22.695,480 0.908,481 6.563,482 0.263,483 5.589,484 0.224,485 0.112,487 0.293,493 0.832,494 1.369,495 0.711,496 1.051,497 0.646,498 0.949,499 1.018,500 0.948,501 0.807,502 0.835,503 0.688,504 0.801,505 1.285,506 1.057,507 1.093,508 0.942,509 1.319,510 0.912,511 0.937,512 0.94,513 0.964,514 0.885,515 0.716,516 0.874,517 0.918,518 1.207,519 1.244,520 1.245,521 0.773,522 1.065,523 0.997,524 0.867,525 0.926,526 0.861,527 0.731,528 0.926,529 0.914,530 1.309,531 0.96,532 1.278,533 1.141,534 1.203,535 0.858,536 0.89,537 0.797,538 0.831,539 0.829,540 0.983,541 5,542 0.111,543 1.778,544 1.479,545 0.916,546 0.802,547 0.415,548 0.3,549 0.208,550 0.132,551 7374,552 23270,553 2.062,554 41.9,556 11,558 1,559 1,560 3,562 2,564 1.677,565 1.948,566 3.544,567 -0.238,568 1,569 1,571 1,573 76.029,574 1.768,575 3.813,576 4.787,577 5.066,578 5.066,579 5.066,580 3.083,581 4.404,582 4.604,583 3.686,584 1105.88,585 7.954,586 13783.7,588 1,590 1,591 233.329,592 1.323,593 4.583,594 0.185,595 0.007,596 0.049,597 0.044,598 0.029,599 0.027,600 0.015,601 0.012,602 0.01,603 0.007,604 0.385,605 0.33,606 1,607 1.693,608 122.627,609 -0.064,610 -0.229,611 0.067,612 -0.065,613 -0.053,614 -0.025,615 0.086,616 0.108,617 0.152,618 0.16,619 0.098,620 0.129,621 -0.249,622 -0.017,623 -0.083,624 0.076,625 -0.209,626 0.038,627 0.022,628 0.087,629 0.066,630 0.131,631 0.032,632 0.095,633 -0.122,634 -0.124,635 -0.156,636 -0.164,637 -0.066,638 -0.086,639 -0.014,640 0.12,641 -0.006,642 0.078,643 0.04,644 0.035,645 -0.017,646 -0.308,647 -0.054,648 -0.3,649 -0.082,650 -0.234,651 0.002,652 0.059,653 0.022,654 0.006,655 -0.042,656 -0.018,657 1.801,658 4.16,659 0.6,660 27.779,661 1.015,662 1.127,663 1.991,664 3.963,665 0.683,666 3.332,667 3.611,668 3.829,669 4.111,670 4.317,671 4.431,672 4.605,673 4.7,674 4.754,675 4.82,676 6.782,677 0.654,678 358.46,679 3.332,680 4.844,681 5.666,682 6.529,683 7.378,684 8.253,685 9.117,686 9.998,687 10.87,688 11.755,689 9.3,696 1,699 3,703 2,704 5,705 3,708 1,709 4,711 16,729 1,731 43,733 17,734 1,735 27,737 45,738 17,739 11,740 3,741 3,746 3,747 4,752 1,758 1,761 12,762 5,766 1,771 1,775 1,777 1,778 1,781 18,782 7,783 1,784 8,785 1,790 4,794 0.667,795 3,806 1,811 1,812 2,815 1,826 1,839 1,840 2,842 1,844 2,848 25,854 3,855 1,856 2,863 1,870 7,873 1,874 1,875 1,877 12.833,878 8.433,879 5.639,880 2.456,881 3.256,882 1.45,883 0.963,884 5.895,885 10.494,886 3.611,887 4.201,888 4.776,889 5.43,890 5.985,891 6.373,892 6.891,893 7.331,894 7.617,895 8,896 1,897 34,898 9.181,900 3.754,901 7.8,902 17.371,904 13.546,905 2.3,906 57.5,910 200.109,911 128.081,912 68.367,914 47.145,916 31.278,917 96.803,918 247.253,919 68.367,920 19.708,921 29.73,922 37.905,923 102.977,924 28.635,925 5.132,926 219.615,928 200.109,929 165.171,930 47.145,931 31.278,933 176.567,934 59.687,935 11,937 57.39,938 57.424,939 50.357,940 31.278,941 200.109,942 115.512,943 128.081,946 200.109,947 61.42,948 66.661,949 18.011,950 97.501,951 200.109,952 115.512,953 128.081,955 0.561,956 0.304,957 0.169,958 0.093,959 16,960 7,961 0.156,962 7,963 1,964 1.133,965 3.811,966 195.675,967 0.133,968 15,969 116.096,970 1,974 17.711,975 8.321,976 4.711,977 1.81,978 115.512,979 9.353,980 12.954,983 1.426,984 2.643,986 18.011,987 443.702,988 36,993 11.16,997 -0.134,999 43.651,1000 48.448,1001 0.326,1002 0.703,1003 0.882,1004 0.934,1005 0.934,1006 0.934,1007 4.812,1008 1.428,1009 5.624,1010 3.848,1011 4.29,1012 4.887,1013 2.303,1014 6.382,1015 4.143,1016 6.006,1017 1.109,1018 7.14,1019 3.312,1020 3.761,1021 4.677,1022 1.593,1023 7.14,1024 3.577,1025 7.3,1026 1,1027 8.754,1028 2.55,1029 5.82,1030 7.105,1031 3.017,1032 10.234,1033 5.544,1034 8.633,1035 0.411,1036 10.426,1037 1.845,1038 6.111,1039 7.748,1040 3.032,1041 11.839,1042 5.789,1043 9.998,1044 0.201,1045 12.138,1046 1.082,1047 7.627,1048 9.646,1049 4.066,1050 14.417,1051 7.235,1052 11.388,1053 -0.229,1054 13.876,1055 0.341,1056 8.326,1057 10.71,1058 4.409,1059 16.387,1060 7.88,1061 12.797,1062 -0.479,1063 15.634,1064 -0.63,1065 9.602,1066 12.375,1067 5.257,1068 18.769,1069 9.099,1070 3.064,1071 -0.586,1072 17.407,1073 -0.966,1074 10.506,1075 13.651,1076 5.75,1077 20.902,1078 9.946,1079 2.8,1080 9.801,1081 19.191,1082 -1.521,1083 11.676,1084 15.212,1085 6.503,1086 23.209,1087 11.065,1088 2.405,1089 8.904,1090 20.984,1091 4.453,1092 12.681,1093 16.594,1094 7.068,1095 25.413,1096 12.013,1097 2.249,1098 6.911,1099 22.785,1100 3.816,1101 13.807,1102 18.108,1103 7.771,1104 27.692,1105 13.089,1106 1.777,1107 6.521,1108 24.591,1109 3.151,1110 14.862,1111 19.542,1112 8.374,1113 29.93,1114 14.088,1115 1.707,1116 4.46,1117 26.402,1118 2.846,1119 15.971,1120 21.038,1121 9.051,1122 32.2,1123 15.148,1124 1.526,1125 4.383,1126 28.218,1127 2.401,1128 17.051,1129 22.499,1130 9.674,1131 34.453,1132 16.174,1133 7315,1134 13136,1135 18.087,1136 29.364,1137 39.533,1138 40.526,1139 40.324,1140 39.257,1141 39.358,1142 52.476,1143 7.552,1144 107.916,1145 36.407,1146 5.391,1147 5.536,1148 6.279,1149 5.127,1150 5.064,1151 7.453,1152 3.306,1153 16.301,1154 4.905,1155 11.807,1156 1.464,1157 1.501,1158 1.493,1159 1.454,1160 1.458,1161 1.944,1162 0.28,1163 3.997,1164 1.348,1165 4.081,1166 4.098,1167 4.323,1168 4.061,1169 7.43,1170 4.024,1171 3.81,1172 3.848,1173 3.83,1174 3.659,1175 5.083,1176 3.667,1177 3.632,1178 3.682,1179 3.524,1180 3.442,1181 4.93,1182 3.441,1183 3.557,1184 3.604,1185 3.449,1186 3.343,1187 4.635,1188 3.359,1189 3.265,1190 3.316,1191 3.335,1192 3.153,1193 4.377,1194 3.114,1195 3.202,1196 3.258,1197 3.049,1198 2.939,1199 4.242,1200 2.947,1201 2.908,1202 2.968,1203 2.878,1204 2.798,1205 3.915,1206 2.781,1207 2.867,1208 2.931,1209 2.7,1210 2.636,1211 3.788,1212 2.646,1213 0.167,1214 0.131,1215 0.235,1216 0.148,1217 0.113,1218 4.516,1219 0.165,1220 3.536,1221 0.071,1222 6.343,1223 0.363,1224 4.005,1225 0.108,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.952,1232 1.934,1233 2.009,1234 2.037,1235 1.165,1236 2.033,1237 1.671,1238 1.632,1239 1.874,1240 1.872,1241 1.153,1242 1.869,1243 1.575,1244 1.521,1245 1.735,1246 1.791,1247 0.744,1248 1.777,1249 1.524,1250 1.482,1251 1.718,1252 1.761,1253 0.734,1254 1.757,1255 1.196,1256 1.168,1257 1.566,1258 1.504,1259 0.596,1260 1.524,1261 1.184,1262 1.11,1263 1.252,1264 1.351,1265 0.432,1266 1.381,1267 0.912,1268 0.881,1269 1.222,1270 1.154,1271 0.412,1272 1.179,1273 0.837,1274 0.765,1275 1.074,1276 1.01,1277 0.13,1278 1.045,1279 4.007,1281 5.293,1282 2.398,1283 6.763,1284 4.727,1285 8.325,1286 6.823,1287 9.942,1289 3.122,1295 1.923,1296 2.709,1297 10.534,1305 28.105,1306 76.029,1307 163.945,1308 205.82,1309 217.82,1310 217.82,1311 217.82,1312 36.443,1313 7.238,1314 86.23,1315 114.47,1316 17,1317 12.291,1318 4.17,1319 3.322,1320 41.964,1321 99,1322 123,1323 0.207,1324 178.538,1325 300.64,1326 427.392,1327 13196,1329 17.648,1330 0.706,1331 0.592,1332 18.002,1333 14.799,1334 12.152,1335 0.45,1336 0.319,1337 7.702,1338 11.074,1339 7.415,1340 6.171,1341 12.56,1342 8.605,1343 10.702,1344 0.297,1345 0.176,1346 11.371,1347 6.333,1348 8.213,1349 0.183,1350 0.095,1351 8.948,1352 4.258,1353 7.084,1354 0.118,1355 0.053,1356 8.027,1357 3.177,1358 5.562,1359 0.075,1360 0.027,1361 6.307,1362 2.024,1363 0.329,1364 81.367,1365 0.235,1366 24.69,1367 0.551,1368 126,1369 437.335,1370 168.921,1371 431.892,1372 583.96,1373 406,1374 144,1375 403.913,1376 180.296,1377 422.872,1378 616.41,1379 395,1380 6.478}
{0 CHEMBL1773572,1 1.605,2 12.241,3 4.24,4 17.976,5 116.959,6 8.071,7 0.688,8 4.01,9 4.127,10 3.692,11 3.63,12 5.146,13 3.586,14 4.506,15 4.669,16 4.115,17 4.007,18 5.644,19 3.947,20 4.731,21 4.917,22 4.07,23 4.127,24 5.804,25 4.038,26 4.822,27 5.049,28 4.083,29 4.135,30 5.832,31 4.017,32 4.802,33 5.038,34 3.965,35 4.075,36 5.807,37 3.964,38 4.71,39 4.943,40 3.876,41 4.01,42 5.709,43 3.892,44 4.592,45 4.813,46 3.804,47 3.898,48 5.624,49 3.793,50 4.506,51 4.733,52 3.609,53 3.824,54 5.473,55 3.693,56 0.02,57 0.762,58 9.438,59 4.395,60 7.194,61 5.452,62 0.221,63 1.249,64 18.744,65 7.427,66 24.299,67 9.619,68 0.246,69 1.496,70 25.162,71 9.127,72 38.506,73 11.104,74 0.235,75 1.582,76 29.612,77 10.944,78 37.008,79 14.28,80 0.294,81 1.584,82 31.21,83 10.031,84 38.333,85 12.831,86 0.192,87 1.397,88 25.403,89 9.586,90 31.358,91 12.713,92 0.216,93 1.234,94 23.238,95 8.368,96 32.547,97 11.085,98 0.173,99 1.117,100 20.323,101 8.152,102 25.967,103 10.853,104 19,105 46,106 0.266,107 0.608,108 0.746,109 0.827,110 0.837,111 0.837,112 3.408,113 0.945,114 -4.9,115 -4.8,116 -4.51,119 44,120 3,130 1,142 9,143 2,145 1,146 2,150 1,152 1,158 1,162 1,172 9,174 1,175 6,178 4,180 5,183 13,187 4,192 2,195 12,198 1,199 11,204 6,207 7,212 7,217 5,220 3,223 1,224 8,229 1,232 8,237 5,240 1,242 2,245 12,249 1,253 1,258 11,262 1,263 2,266 1,267 1,271 12,275 1371,276 19.281,277 19.281,278 19.281,279 19.281,280 19.281,281 16.591,282 18.476,283 11.358,284 19.735,285 15.864,286 15.864,287 15.864,288 15.864,289 15.864,290 11.832,291 31.428,292 5.461,293 16.669,294 4.039,295 1.981,296 1.151,297 0.66,298 0.605,299 0.605,300 4.102,304 1,305 1,306 767,307 3.808,310 69.294,311 273.734,314 121.116,318 1.974,319 20.839,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 61.5,331 355,332 4.523,333 3.688,334 7.308,335 4.366,336 3.391,337 4.453,338 1.907,339 12.507,340 3.308,341 4.492,342 3.536,343 6.342,344 4.003,345 3.062,346 3.868,347 0.657,348 9.8,349 2.905,350 4.166,351 3.057,352 6.072,353 3.718,354 2.784,355 3.746,356 0.149,357 8.898,358 2.583,359 3.73,360 2.798,361 5.372,362 3.322,363 2.372,364 3.15,366 6.912,367 2.262,368 3.585,369 2.403,370 5.247,371 3.189,372 2.225,373 2.861,375 6.531,376 2.129,377 3.386,378 2.102,379 4.806,380 2.964,381 1.979,382 2.676,384 5.203,385 1.938,386 3.179,387 1.983,388 4.459,389 2.68,390 1.736,391 2.39,393 4.424,394 1.6,395 3.019,396 1.529,397 4.379,398 2.455,399 1.525,400 2.267,402 4.382,403 1.404,404 2.86,405 1.46,406 4.221,407 2.374,408 1.404,409 2.012,411 3.757,412 1.352,413 2.61,414 1.214,415 3.63,416 2.17,417 1.177,418 1.657,420 2.746,421 1.167,422 2.58,423 1.105,424 3.479,425 2.034,426 1.098,427 1.615,428 2.53,429 1.025,430 2.5,431 1,432 3.247,433 2,434 1,435 1.5,436 2.136,437 1,438 1.903,439 0.589,440 3.164,441 1.314,442 0.411,443 0.611,445 1.082,446 0.365,447 1.127,448 0.41,449 3.066,450 0.808,451 -0.12,452 -0.141,454 -0.343,455 -0.112,456 1.094,457 0.064,458 2.651,459 0.692,460 -0.23,461 -0.277,463 -0.634,464 -0.208,465 14.167,466 0.489,467 0.854,468 0.029,469 41.25,470 1.422,471 22.5,472 0.776,473 18.75,474 0.647,475 23.571,476 0.813,477 29.633,478 0.593,479 29.542,480 1.019,481 7.83,482 0.27,483 6.074,484 0.209,485 0.129,486 0.035,487 0.282,493 0.792,494 1.194,495 0.734,496 0.901,497 0.679,498 0.864,499 0.488,500 1.03,501 0.702,502 0.919,503 0.488,504 0.841,505 1.417,506 1.088,507 1.149,508 0.992,509 1.28,510 1.025,511 0.704,512 1.129,513 0.888,514 1.02,515 0.542,516 1.001,517 1.148,518 1.021,519 1.165,520 1.014,521 0.796,522 0.966,523 0.814,524 1.012,525 0.887,526 0.953,527 0.615,528 1.003,529 0.949,530 1.014,531 0.897,532 0.993,533 1.037,534 0.993,535 0.677,536 0.945,537 0.908,538 1.005,539 0.725,540 1.087,541 7.5,542 0.193,543 3.111,544 2.417,545 1.404,546 1.115,547 0.599,548 0.461,549 0.286,550 0.192,551 11287,552 30598,553 2.082,554 42,556 9,558 1,559 2,560 3,561 6,564 1.717,565 1.944,566 3.58,567 0.228,569 1,573 80.237,574 1.605,575 3.663,576 4.493,577 4.983,578 5.039,579 5.039,580 3.086,581 4.28,582 4.828,583 3.74,584 1518.33,585 8.398,586 20734.6,588 1,590 1,591 282.193,592 1.548,593 4.781,594 0.234,595 0.008,596 0.068,597 0.055,598 0.033,599 0.029,600 0.017,601 0.014,602 0.01,603 0.007,604 0.476,605 0.17,606 1,607 0.897,608 148.384,609 -0.055,610 -0.097,611 0.059,612 0.026,613 -0.106,614 0.029,615 0.366,616 0.041,617 0.217,618 0.048,619 0.203,620 0.086,621 -0.296,622 -0.021,623 -0.191,624 -0.036,625 -0.233,626 -0.112,627 0.098,628 -0.143,629 0.088,630 -0.04,631 0.096,632 -0.013,633 -0.178,634 0.025,635 -0.117,636 -0.029,637 -0.086,638 -0.007,639 -0.007,640 -0.039,641 0.008,642 -0.023,643 0.054,644 -0.022,646 -0.052,647 0.02,648 -0.044,649 -0.044,650 -0.014,651 0.055,652 -0.008,653 -0.055,654 -0.074,655 -0.035,656 -0.09,657 1.795,658 4.264,659 0.724,660 29.546,661 1,662 1.119,663 3.667,664 13.446,665 0.704,666 3.497,667 3.85,668 4.078,669 4.357,670 4.554,671 4.635,672 4.812,673 4.905,674 4.984,675 5.088,676 7.098,677 0.664,678 403.55,679 3.497,680 5.056,681 5.9,682 6.792,683 7.655,684 8.55,685 9.421,686 10.318,687 11.194,688 12.09,689 10,694 1,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,724 1,731 50,733 23,734 2,735 32,737 53,738 22,739 17,740 4,741 8,746 4,747 5,752 3,761 18,762 4,763 1,766 1,771 1,775 1,778 1,781 21,782 6,783 2,784 7,785 1,790 5,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 3,848 29,855 2,860 1,863 1,870 2,873 1,877 14.917,878 10.017,879 6.181,880 2.879,881 4.153,882 1.535,883 0.991,884 5.292,885 11.915,886 3.807,887 4.446,888 5.02,889 5.651,890 6.196,891 6.514,892 7.024,893 7.452,894 7.771,895 8.183,896 1,897 44,898 10.664,900 4.504,901 7.687,902 20.397,904 16.656,905 2.187,906 63.417,908 1,909 1,910 223.651,911 171.209,912 86.378,914 25.145,916 31.278,917 139.932,918 248.796,919 86.378,920 26.476,921 18.011,922 85.286,923 109.988,924 20.82,925 2.645,926 243.158,928 223.651,929 226.31,930 25.145,931 31.278,933 153.024,934 95.772,937 60.835,938 97.108,939 68.367,940 31.278,941 223.651,942 111.523,943 171.209,946 223.651,947 50.4,948 120.809,949 36.022,950 75.502,951 223.651,952 111.523,953 171.209,955 0.589,956 0.325,957 0.178,958 0.096,959 23,960 10,961 0.094,962 5,963 1,964 1.095,965 4.07,966 255.378,967 0.095,968 21,969 134.881,970 1,974 19.471,975 7.881,976 4.434,977 1.837,978 111.523,979 19.816,980 13.532,983 1.444,984 4.116,986 36.022,987 506.383,988 44,993 11.264,997 -0.128,999 49.982,1000 55.943,1001 0.284,1002 0.649,1003 0.796,1004 0.883,1005 0.893,1006 0.893,1007 5.047,1008 1.525,1009 5.922,1010 4.424,1011 4.533,1012 5.133,1013 2.068,1014 6.765,1015 4.438,1016 6.285,1017 1.404,1018 7.504,1019 4.382,1020 4.29,1021 4.977,1022 1.593,1023 7.915,1024 4.166,1025 7.61,1026 1.177,1027 9.198,1028 3.757,1029 6.201,1030 7.366,1031 2.924,1032 10.949,1033 6.021,1034 8.97,1035 1.098,1036 10.963,1037 2.746,1038 6.758,1039 7.994,1040 3.032,1041 12.95,1042 6.552,1043 10.36,1044 1,1045 12.776,1046 2.53,1047 8.199,1048 9.887,1049 4.04,1050 15.583,1051 7.952,1052 11.772,1053 0.411,1054 14.624,1055 2.136,1056 9.113,1057 10.913,1058 4.409,1059 17.905,1060 8.841,1061 13.202,1062 -0.12,1063 16.499,1064 1.082,1065 10.384,1066 12.579,1067 5.251,1068 20.436,1069 10.081,1070 3.391,1071 -0.23,1072 18.394,1073 -0.343,1074 11.455,1075 13.818,1076 5.75,1077 22.877,1078 11.129,1079 3.062,1080 12.507,1081 20.306,1082 -0.634,1083 12.667,1084 15.376,1085 6.501,1086 25.388,1087 12.316,1088 2.784,1089 9.8,1090 22.23,1091 4.453,1092 13.808,1093 16.728,1094 7.068,1095 27.875,1096 13.435,1097 2.372,1098 8.898,1099 24.166,1100 3.868,1101 15.003,1102 18.236,1103 7.771,1104 30.387,1105 14.609,1106 2.225,1107 6.912,1108 26.11,1109 3.746,1110 16.175,1111 19.648,1112 8.374,1113 32.894,1114 15.76,1115 1.979,1116 6.531,1117 28.061,1118 3.15,1119 17.37,1120 21.137,1121 9.051,1122 35.41,1123 16.934,1124 1.736,1125 5.203,1126 30.018,1127 2.861,1128 18.558,1129 22.582,1130 9.674,1131 37.925,1132 18.102,1133 10754,1134 17914,1135 21.266,1136 35.222,1137 49.316,1138 49.061,1139 49.088,1140 48.314,1141 48.328,1142 65.612,1143 5.427,1144 141.817,1145 46.074,1146 5.354,1147 5.688,1148 7.11,1149 5.488,1150 5.391,1151 7.453,1152 3.306,1153 19.85,1154 5.308,1155 14.274,1156 1.541,1157 1.533,1158 1.534,1159 1.51,1160 1.51,1161 2.05,1162 0.17,1163 4.432,1164 1.44,1165 4.087,1166 4.108,1167 4.324,1168 4.064,1169 7.43,1170 4.028,1171 3.951,1172 3.985,1173 3.907,1174 3.885,1175 5.048,1176 3.878,1177 3.789,1178 3.835,1179 3.789,1180 3.658,1181 4.911,1182 3.664,1183 3.575,1184 3.624,1185 3.506,1186 3.402,1187 4.755,1188 3.398,1189 3.502,1190 3.565,1191 3.387,1192 3.334,1193 4.317,1194 3.342,1195 3.228,1196 3.27,1197 3.306,1198 3.15,1199 4.22,1200 3.108,1201 2.906,1202 3.009,1203 2.89,1204 2.802,1205 3.916,1206 2.786,1207 2.874,1208 2.977,1209 2.72,1210 2.735,1211 3.824,1212 2.715,1213 0.141,1214 0.115,1215 0.228,1216 0.136,1217 0.106,1218 4.523,1219 0.139,1220 3.688,1221 0.06,1222 7.308,1223 0.391,1224 4.366,1225 0.103,1226 3.391,1227 4.453,1228 1.907,1229 12.507,1230 3.308,1231 1.963,1232 1.94,1233 2.07,1234 2.066,1235 1.229,1236 2.065,1237 1.929,1238 1.903,1239 2.006,1240 2.002,1241 1.157,1242 2.014,1243 1.67,1244 1.625,1245 1.809,1246 1.835,1247 0.888,1248 1.825,1249 1.525,1250 1.482,1251 1.731,1252 1.774,1253 0.745,1254 1.763,1255 1.511,1256 1.451,1257 1.713,1258 1.679,1259 0.734,1260 1.705,1261 1.195,1262 1.168,1263 1.417,1264 1.352,1265 0.469,1266 1.381,1267 0.934,1268 0.884,1269 1.251,1270 1.239,1271 0.432,1272 1.308,1273 0.916,1274 0.821,1275 1.181,1276 1.119,1277 0.218,1278 1.127,1279 4.174,1281 5.517,1282 2.398,1283 7.043,1284 4.727,1285 8.65,1286 6.823,1287 10.301,1289 5.681,1296 6.165,1301 -0.311,1305 33.223,1306 80.237,1307 183.16,1308 224.644,1309 249.173,1310 251.928,1311 251.928,1312 42.809,1313 7.763,1314 79.8,1315 108.04,1316 23,1317 12.619,1318 4.585,1319 3.7,1320 44.848,1321 123,1322 122,1323 0.177,1324 209.126,1325 349.38,1326 502.027,1327 26300,1329 20.433,1330 0.705,1331 0.595,1332 20.786,1333 17.248,1334 13.904,1335 0.434,1336 0.315,1337 9.238,1338 13.061,1339 8.812,1340 7.38,1341 14.312,1342 10.076,1343 13.381,1344 0.291,1345 0.18,1346 14.049,1347 8.295,1348 10.272,1349 0.177,1350 0.094,1351 11.007,1352 5.476,1353 8.943,1354 0.116,1355 0.052,1356 9.885,1357 4.025,1358 6.96,1359 0.074,1360 0.027,1361 7.705,1362 2.572,1363 0.281,1364 90.143,1365 0.217,1366 27.715,1367 0.476,1368 156,1369 426.197,1370 195.441,1371 444.204,1372 617.73,1373 416,1374 182,1375 451.985,1376 215.146,1377 477.812,1378 695.99,1379 449,1380 7.62}
{0 CHEMBL1773573,1 1.765,2 13.567,3 3.033,4 9.202,5 112.815,6 8.926,7 0.667,8 3.977,9 4.074,10 3.733,11 3.571,12 5.213,13 3.56,14 4.446,15 4.58,16 4.129,17 3.921,18 5.721,19 3.896,20 4.598,21 4.746,22 4.092,23 3.991,24 5.847,25 3.953,26 4.609,27 4.774,28 4.075,29 3.96,30 5.897,31 3.899,32 4.581,33 4.775,34 3.938,35 3.888,36 5.744,37 3.823,38 4.51,39 4.707,40 3.904,41 3.815,42 5.742,43 3.762,44 4.392,45 4.551,46 3.839,47 3.729,48 5.667,49 3.697,50 4.397,51 4.587,52 3.665,53 3.658,54 5.616,55 3.596,56 0.1,57 0.719,58 6.901,59 3.955,60 7.754,61 4.154,62 0.387,63 1.141,64 14.965,65 6.534,66 27.475,67 7.225,68 0.417,69 1.272,70 19.316,71 7.761,72 47.597,73 7.665,74 0.48,75 1.276,76 20.008,77 8.035,78 49.466,79 8.628,80 0.367,81 1.249,82 23.773,83 8.339,84 38.414,85 9.341,86 0.462,87 1.147,88 19.17,89 7.207,90 43.112,91 8.504,92 0.333,93 1.029,94 15.624,95 6.002,96 35.006,97 6.471,98 0.466,99 0.979,100 16.989,101 6.478,102 52.086,103 7.308,104 22,105 46,106 0.295,107 0.642,108 0.779,109 0.857,110 0.867,111 0.867,112 3.44,113 0.891,114 -3.77,115 -3.74,116 -3.55,119 44.7,120 1,124 1,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 2,162 1,172 7,174 1,175 9,178 5,180 3,183 8,187 8,192 2,195 7,198 3,199 10,204 6,207 3,212 7,217 4,220 1,223 2,224 10,227 1,229 1,232 4,237 5,240 1,242 2,245 8,249 3,250 1,253 1,258 9,262 1,263 3,266 1,267 1,271 8,275 1566,276 20.281,277 20.281,278 20.281,279 20.281,280 20.281,281 17.489,282 18.672,283 11.912,284 20.886,285 16.264,286 16.264,287 16.264,288 16.264,289 16.264,290 11.919,291 25.102,292 5.636,293 17.192,294 3.789,295 1.719,296 0.899,297 0.431,298 0.373,299 0.373,300 4.136,304 1,305 1,306 878,307 3.606,310 73.348,311 287.803,314 128.215,318 2.167,319 31.328,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65.5,331 407,332 4.516,333 3.573,334 6.343,335 4.007,336 3.066,337 4.453,338 1.907,339 9.803,340 2.912,341 4.238,342 3.536,343 6.096,344 3.852,345 2.876,346 3.843,347 1.058,348 8.962,349 2.827,350 4.142,351 3.057,352 6.033,353 3.709,354 2.757,355 3.746,356 0.86,357 8.651,358 2.582,359 3.783,360 2.829,361 5.35,362 3.381,363 2.44,364 3.19,365 0.149,366 6.972,367 2.291,368 3.671,369 2.791,370 5.265,371 3.291,372 2.324,373 3.014,375 6.654,376 2.243,377 3.545,378 2.386,379 5.211,380 3.128,381 2.178,382 2.829,384 6.444,385 2.051,386 3.189,387 2.083,388 4.474,389 2.691,390 1.745,391 2.398,393 4.472,394 1.615,395 3.024,396 1.98,397 4.383,398 2.475,399 1.533,400 2.275,402 4.383,403 1.435,404 2.916,405 1.531,406 4.265,407 2.424,408 1.466,409 2.067,411 3.903,412 1.382,413 2.737,414 1.469,415 4.011,416 2.224,417 1.231,418 1.759,420 3.24,421 1.209,422 2.588,423 1.11,424 3.478,425 2.032,426 1.094,427 1.626,428 2.516,429 1.022,430 2.5,431 1.066,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 1,440 3.163,441 1.354,442 0.482,443 0.611,445 1.082,446 0.416,447 1.646,448 0.589,449 2.847,450 1.314,451 0.411,452 0.541,454 0.741,455 0.364,456 1.183,457 0.465,458 2.653,459 0.773,460 -0.189,461 -0.24,463 -0.465,464 -0.179,465 14.333,466 0.478,467 0.746,468 0.025,469 44.5,470 1.483,471 24.5,472 0.817,473 20,474 0.667,475 20.894,476 0.696,477 30.667,478 0.652,479 33.407,480 1.114,481 8.866,482 0.296,483 5.646,484 0.188,485 0.116,487 0.349,493 0.78,494 1.213,495 0.677,496 0.907,497 0.601,498 0.821,499 0.732,500 0.944,501 0.733,502 0.88,503 0.581,504 0.804,505 1.313,506 1.116,507 1.133,508 0.991,509 1.239,510 0.961,511 0.941,512 1.131,513 1.051,514 1.078,515 0.927,516 1.077,517 0.925,518 1.167,519 1.173,520 1.161,521 0.938,522 1.006,523 0.761,524 0.966,525 0.845,526 0.859,527 0.758,528 0.877,529 1.155,530 1.162,531 1.014,532 1.091,533 1.255,534 1.058,535 1.079,536 0.846,537 0.998,538 0.889,539 1.391,540 1.011,541 7,542 0.21,543 2.889,544 1.979,545 1.418,546 1.101,547 0.558,548 0.461,549 0.281,550 0.182,551 12858,552 41430,553 2.087,554 36.2,556 11,558 1,559 2,560 3,564 1.725,565 1.957,566 3.72,567 0.276,568 1,569 1,573 82.976,574 1.765,575 3.836,576 4.655,577 5.123,578 5.182,579 5.182,580 3.231,581 4.415,582 4.874,583 3.867,584 1682.3,585 8.485,586 24080.6,588 1,590 1,591 261.066,592 1.4,593 4.839,594 0.212,595 0.008,596 0.063,597 0.044,598 0.035,599 0.029,600 0.015,601 0.014,602 0.01,603 0.007,604 0.436,605 0.33,606 1,607 0.975,608 156.612,609 -0.087,610 -0.135,611 0.046,612 -0.002,613 -0.086,614 0.016,615 0.162,616 0.114,617 0.161,618 0.084,619 0.086,620 0.086,621 -0.286,622 -0.071,623 -0.176,624 -0.011,625 -0.194,626 -0.062,628 -0.101,629 -0.067,630 -0.09,631 0.026,632 -0.141,633 -0.098,634 -0.15,635 -0.073,636 -0.109,637 -0.062,638 -0.001,639 0.112,640 0.041,641 0.089,642 0.076,643 0.1,644 0.098,645 -0.159,646 -0.144,647 -0.117,648 -0.159,649 -0.14,650 -0.146,651 -0.025,652 0.119,653 -0.1,654 0.026,655 -0.168,656 -0.047,657 1.979,658 5.454,659 0.7,660 33.827,661 1.018,662 1.118,663 2.543,664 6.469,665 0.715,666 3.526,667 3.85,668 4.094,669 4.357,670 4.575,671 4.682,672 4.828,673 4.913,674 5.004,675 5.106,676 7.665,677 0.694,678 419.5,679 3.526,680 5.069,681 5.911,682 6.786,683 7.644,684 8.524,685 9.39,686 10.272,687 11.143,688 12.026,689 10.6,696 2,699 3,703 2,704 9,705 3,708 1,709 6,711 22,718 1,729 1,731 47,733 24,734 2,735 33,737 50,738 21,739 17,740 5,741 7,742 1,746 4,747 5,752 1,761 19,762 2,766 2,771 2,775 2,778 1,781 17,782 8,783 2,784 9,785 1,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 2,848 30,855 2,856 1,863 1,870 6.4,873 2,875 1,877 15.333,878 9.267,879 6.583,880 2.574,881 4.261,882 1.54,883 1.004,884 5.795,885 12.151,886 3.85,887 4.48,888 5.068,889 5.69,890 6.243,891 6.589,892 7.061,893 7.468,894 7.792,895 8.208,896 1,897 45,898 11.024,900 4.672,901 7.9,902 20.55,904 16.403,905 2.4,906 72,909 1,910 176.567,911 164.914,912 86.378,914 61.29,916 31.278,917 133.636,918 237.856,919 86.378,920 19.708,921 36.022,922 75.81,923 121.827,924 37.064,925 2.645,926 196.073,928 176.567,929 220.014,930 61.29,931 31.278,933 176.567,934 61.29,937 61.195,938 108.463,939 50.357,940 31.278,941 176.567,942 147.668,943 164.914,946 176.567,947 60.348,948 104.566,949 36.022,950 111.646,951 176.567,952 147.668,953 164.914,955 0.58,956 0.328,957 0.176,958 0.096,959 22,960 10,961 0.1,962 5,963 1,964 1.095,965 4.223,966 261.815,967 0.095,968 21,969 143.207,970 1,974 20.081,975 8.657,976 4.698,977 1.702,978 147.668,979 15.81,980 12.968,983 1.383,984 3.405,986 36.022,987 489.148,988 46,993 23.691,997 -0.477,999 47.869,1000 52.531,1001 0.318,1002 0.691,1003 0.838,1004 0.922,1005 0.933,1006 0.933,1007 5.072,1008 1.533,1009 5.894,1010 4.472,1011 4.533,1012 5.168,1013 2.377,1014 6.678,1015 4.432,1016 6.294,1017 1.466,1018 7.435,1019 4.383,1020 4.111,1021 4.987,1022 1.593,1023 7.486,1024 3.98,1025 7.603,1026 1.231,1027 9.068,1028 3.903,1029 6.107,1030 7.398,1031 3.084,1032 10.546,1033 5.915,1034 8.945,1035 1.094,1036 10.753,1037 3.24,1038 6.463,1039 8.015,1040 3.032,1041 12.146,1042 6.236,1043 10.315,1044 1,1045 12.471,1046 2.516,1047 7.937,1048 9.909,1049 4.099,1050 14.704,1051 7.663,1052 11.704,1053 0.482,1054 14.212,1055 2.275,1056 8.66,1057 10.926,1058 4.409,1059 16.651,1060 8.345,1061 13.11,1062 0.411,1063 15.97,1064 1.082,1065 9.912,1066 12.589,1067 5.27,1068 19.02,1069 9.557,1070 3.066,1071 -0.189,1072 17.74,1073 0.741,1074 10.818,1075 13.822,1076 5.75,1077 21.128,1078 10.419,1079 2.876,1080 9.803,1081 19.52,1082 -0.465,1083 11.972,1084 15.378,1085 6.507,1086 23.422,1087 11.536,1088 2.757,1089 8.962,1090 21.307,1091 4.453,1092 12.97,1093 16.726,1094 7.068,1095 25.606,1096 12.489,1097 2.44,1098 8.651,1099 23.101,1100 3.843,1101 14.083,1102 18.233,1103 7.773,1104 27.872,1105 13.564,1106 2.324,1107 6.972,1108 24.9,1109 3.746,1110 15.128,1111 19.643,1112 8.374,1113 30.093,1114 14.564,1115 2.178,1116 6.654,1117 26.704,1118 3.19,1119 16.226,1120 21.131,1121 9.051,1122 32.351,1123 15.622,1124 1.745,1125 6.444,1126 28.511,1127 3.014,1128 17.295,1129 22.575,1130 9.674,1131 34.591,1132 16.646,1133 12283,1134 22211,1135 22.076,1136 33.608,1137 49.769,1138 51.212,1139 50.606,1140 49.119,1141 49.207,1142 67.706,1143 7.949,1144 140.194,1145 46.697,1146 5.346,1147 5.573,1148 5.894,1149 5.129,1150 5.066,1151 7.453,1152 3.306,1153 16.32,1154 4.912,1155 15.09,1156 1.508,1157 1.552,1158 1.534,1159 1.488,1160 1.491,1161 2.052,1162 0.241,1163 4.248,1164 1.415,1165 4.084,1166 4.104,1167 4.324,1168 4.063,1169 7.432,1170 4.027,1171 3.934,1172 3.955,1173 3.905,1174 3.852,1175 7.428,1176 3.854,1177 3.792,1178 3.837,1179 3.798,1180 3.656,1181 5.041,1182 3.663,1183 3.569,1184 3.615,1185 3.504,1186 3.356,1187 4.906,1188 3.373,1189 3.382,1190 3.411,1191 3.367,1192 3.177,1193 4.85,1194 3.187,1195 3.23,1196 3.278,1197 3.272,1198 3.103,1199 4.346,1200 3.091,1201 3.138,1202 3.205,1203 2.968,1204 2.877,1205 4.3,1206 2.88,1207 2.889,1208 2.941,1209 2.87,1210 2.789,1211 3.938,1212 2.774,1213 0.137,1214 0.108,1215 0.192,1216 0.121,1217 0.093,1218 4.516,1219 0.135,1220 3.573,1221 0.058,1222 6.343,1223 0.297,1224 4.007,1225 0.088,1226 3.066,1227 4.453,1228 1.907,1229 9.803,1230 2.912,1231 1.955,1232 1.936,1233 2.015,1234 2.051,1235 1.159,1236 2.042,1237 1.895,1238 1.877,1239 1.99,1240 1.988,1241 1.076,1242 1.99,1243 1.66,1244 1.618,1245 1.749,1246 1.833,1247 0.754,1248 1.813,1249 1.525,1250 1.482,1251 1.724,1252 1.772,1253 0.737,1254 1.761,1255 1.263,1256 1.227,1257 1.574,1258 1.555,1259 0.577,1260 1.552,1261 1.195,1262 1.168,1263 1.3,1264 1.392,1265 0.432,1266 1.391,1267 1.099,1268 1.025,1269 1.246,1270 1.343,1271 0.283,1272 1.364,1273 0.896,1274 0.865,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.205,1281 5.525,1282 2.398,1283 7.029,1284 4.727,1285 8.614,1286 6.823,1287 10.242,1289 3.013,1296 5.404,1297 5.102,1305 32.599,1306 82.976,1307 180.272,1308 218.801,1309 240.801,1310 243.556,1311 243.556,1312 48.8,1313 7.89,1314 106.1,1315 134.34,1316 23,1317 12.562,1318 4.644,1319 3.807,1320 47.276,1321 137,1322 150,1323 0.166,1324 204.598,1325 347.02,1326 490.98,1327 31682,1329 21.087,1330 0.703,1331 0.566,1332 21.441,1333 16.987,1334 14.512,1335 0.44,1336 0.297,1337 8.909,1338 13.448,1339 8.592,1340 7.154,1341 14.921,1342 9.803,1343 13.255,1344 0.288,1345 0.16,1346 13.924,1347 7.361,1348 10.726,1349 0.182,1350 0.087,1351 11.461,1352 5.134,1353 9.06,1354 0.118,1355 0.049,1356 10.003,1357 3.735,1358 7.096,1359 0.074,1360 0.025,1361 7.841,1362 2.419,1363 0.267,1364 95.514,1365 0.213,1366 28.768,1367 0.44,1368 158,1369 527.668,1370 202.201,1371 528.309,1372 719.28,1373 494,1374 184,1375 512.167,1376 221.63,1377 534.134,1378 777.97,1379 501,1380 5.504}
{0 CHEMBL1773574,1 1.886,2 13.548,3 3.209,4 10.296,5 118.173,6 9.491,7 0.647,8 4.009,9 4.088,10 3.936,11 3.628,12 5.202,13 3.597,14 4.502,15 4.619,16 4.276,17 3.981,18 5.936,19 3.944,20 4.653,21 4.784,22 4.269,23 4.065,24 5.951,25 4.011,26 4.691,27 4.84,28 4.25,29 4.038,30 6.092,31 3.968,32 4.648,33 4.826,34 4.115,35 3.959,36 5.879,37 3.888,38 4.574,39 4.752,40 4.083,41 3.888,42 5.896,43 3.824,44 4.46,45 4.597,46 4.001,47 3.822,48 5.804,49 3.767,50 4.503,51 4.679,52 3.883,53 3.75,54 5.805,55 3.671,56 0.164,57 0.768,58 8.437,59 4.539,60 17.413,61 4.149,62 0.569,63 1.212,64 16.087,65 7.41,66 58.078,67 7.387,68 0.556,69 1.373,70 22.584,71 8.99,72 61.051,73 7.862,74 0.693,75 1.388,76 22.943,77 9.394,78 71.449,79 8.885,80 0.53,81 1.331,82 26.897,83 9.565,84 57.276,85 9.509,86 0.658,87 1.22,88 21.418,89 8.315,90 60.308,91 8.72,92 0.452,93 1.124,94 21.503,95 7.794,96 45.192,97 6.924,98 0.665,99 1.074,100 22.893,101 8.113,102 83.206,103 7.524,104 31,105 49,106 0.313,107 0.662,108 0.791,109 0.86,110 0.86,111 0.86,112 3.472,113 0.999,114 -3.15,115 -3.14,116 -3.02,119 41.7,120 1,124 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 2,175 8,178 6,180 2,183 6,187 10,192 2,195 7,198 5,199 9,204 6,207 3,212 7,217 4,220 1,223 3,224 12,227 1,229 1,232 2,237 7,240 1,242 2,245 6,249 3,250 2,253 1,258 8,262 1,263 4,266 1,267 1,271 7,275 1652,276 20.599,277 20.599,278 20.599,279 20.599,280 20.599,281 17.635,282 17.19,283 11.943,284 21.342,285 16.758,286 16.758,287 16.758,288 16.758,289 16.758,290 12.128,291 18.224,292 5.638,293 17.944,294 3.699,295 1.6,296 0.823,297 0.406,298 0.406,299 0.406,300 4.164,304 1,305 1,306 903,307 4,310 76.548,311 299.757,314 133.573,318 2.114,319 41.922,322 1,323 0.67,324 1,325 0.4,327 0.83,328 1,329 0.7,330 68.5,331 420,332 4.856,333 4.686,334 7.308,335 4.311,336 3.393,337 4.707,338 1.907,339 12.509,340 3.084,341 4.515,342 3.536,343 6.342,344 4.002,345 3.062,346 4.453,347 0.86,348 9.8,349 2.902,350 4.174,351 3.059,352 6.072,353 3.718,354 2.785,355 3.807,356 0.149,357 8.898,358 2.581,359 3.888,360 2.826,361 5.413,362 3.444,363 2.494,364 3.434,366 7.045,367 2.367,368 3.716,369 2.798,370 5.292,371 3.31,372 2.357,373 3.125,375 6.765,376 2.256,377 3.562,378 2.421,379 5.237,380 3.143,381 2.198,382 2.836,384 6.497,385 2.052,386 3.19,387 2.09,388 4.722,389 2.697,390 1.748,391 2.403,393 4.824,394 1.63,395 3.109,396 1.768,397 4.456,398 2.6,399 1.638,400 2.33,402 4.404,403 1.555,404 3.018,405 1.527,406 4.379,407 2.451,408 1.521,409 2.26,411 4.38,412 1.398,413 2.852,414 1.444,415 4.216,416 2.349,417 1.379,418 1.998,420 3.738,421 1.33,422 2.591,423 1.114,424 3.489,425 2.035,426 1.099,427 1.634,428 2.537,429 1.025,430 2.5,431 1.074,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 1,440 3.217,441 1.358,442 0.497,443 0.611,445 1.083,446 0.423,447 1.654,448 0.589,449 3.16,450 1.314,451 0.411,452 0.555,454 0.76,455 0.365,456 1.2,457 0.411,458 2.786,459 0.819,460 -0.119,461 -0.148,463 -0.333,464 -0.111,465 15,466 0.484,467 0.922,468 0.03,469 46.5,470 1.5,471 26,472 0.839,473 20.5,474 0.661,475 22.162,476 0.715,477 32.4,478 0.675,479 36.414,480 1.175,481 9.003,482 0.29,483 5.832,484 0.188,485 0.133,486 0.056,487 0.3,493 0.66,494 1.279,495 0.748,496 1.09,497 0.663,498 0.844,499 0.685,500 0.929,501 0.791,502 0.876,503 0.564,504 0.796,505 1.273,506 1.157,507 1.187,508 1.083,509 1.184,510 0.977,511 1,512 1.101,513 1.094,514 1.06,515 1.016,516 1.062,517 0.994,518 1.154,519 1.111,520 1.128,521 1.044,522 1,523 0.796,524 0.953,525 0.876,526 0.854,527 0.813,528 0.87,529 1.216,530 1.22,531 1.365,532 1.311,533 1.219,534 1.109,535 1.307,536 0.805,537 0.948,538 0.797,539 1.613,540 0.997,541 8.5,542 0.246,543 3.556,544 2.479,545 1.618,546 1.344,547 0.72,548 0.523,549 0.327,550 0.233,551 13601,552 47026,553 2.057,554 35.4,556 11,558 1,559 2,560 3,564 1.734,565 1.908,566 3.705,567 0.321,569 1,573 90.543,574 1.886,575 3.985,576 4.762,577 5.179,578 5.179,579 5.179,580 3.216,581 4.567,582 4.922,583 3.859,584 1794.24,585 8.586,586 25988.8,591 268.078,592 1.595,593 4.87,594 0.25,595 0.009,596 0.073,597 0.052,598 0.036,599 0.033,600 0.018,601 0.014,602 0.011,603 0.008,604 0.503,605 0.33,606 0.88,607 0.999,608 162.826,609 -0.001,610 -0.169,611 0.151,612 -0.07,613 -0.151,614 0.018,615 0.237,616 0.137,617 0.12,618 0.096,619 0.221,620 0.087,621 -0.282,622 -0.1,623 -0.164,624 -0.045,625 -0.177,626 -0.065,627 -0.005,628 -0.063,629 -0.095,630 -0.061,631 0.029,632 -0.134,633 -0.121,634 -0.146,635 -0.051,636 -0.096,637 -0.1,638 0.003,639 0.132,640 0.05,641 0.077,642 0.095,643 0.089,644 0.102,645 -0.22,646 -0.169,647 -0.269,648 -0.229,649 -0.11,650 -0.171,651 -0.16,652 0.137,653 -0.045,654 0.112,655 -0.26,656 -0.038,657 4.776,658 5.642,659 0.677,660 34.144,661 1.027,662 1.118,663 1.917,664 3.677,665 0.723,666 3.555,667 3.912,668 4.143,669 4.407,670 4.615,671 4.745,672 4.89,673 4.949,674 5.037,675 5.147,676 7.632,677 0.698,678 455.56,679 3.555,680 5.118,681 5.964,682 6.855,683 7.719,684 8.615,685 9.486,686 10.383,687 11.259,688 12.156,689 10.4,694 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 48,733 25,734 2,735 34,737 51,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 3,769 1,771 3,775 1,778 1,781 17,782 9,783 2,784 11,785 2,790 5,794 0.75,795 4,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,848 31,852 1,855 2,856 1,863 1,870 8.3,873 3,875 1,877 16.25,878 9.35,879 6.681,880 2.546,881 4.249,882 1.536,883 1.011,884 5.964,885 12.182,886 3.892,887 4.567,888 5.117,889 5.74,890 6.286,891 6.658,892 7.125,893 7.502,894 7.823,895 8.251,896 1,897 48,898 11.684,900 5.28,901 8.024,902 21.198,904 17.279,905 2.524,906 78.25,909 1,910 176.567,911 164.382,912 84.772,914 80.458,916 37.085,917 127.297,918 257.024,919 84.772,920 19.708,921 18.011,922 81.617,923 152.695,924 35.429,925 2.645,926 196.073,928 176.567,929 212.069,930 80.458,931 37.085,933 176.567,934 80.458,937 43.184,938 102.123,939 72.569,940 31.278,941 176.567,942 165.23,943 164.382,945 5.807,946 176.567,947 54.009,948 104.566,949 34.416,950 130.814,951 176.567,952 165.23,953 164.382,955 0.589,956 0.33,957 0.174,958 0.094,959 24,960 11,961 0.118,962 6,963 1,964 1.095,965 4.222,966 278.099,967 0.095,968 21,969 147.58,970 1,973 1,974 21.315,975 8.673,976 4.879,977 1.604,978 165.23,979 14.68,980 12.716,983 1.341,984 2.389,986 34.416,987 506.178,988 48,991 -3.859,993 36.524,997 -0.191,999 49.273,1000 53.66,1001 0.338,1002 0.714,1003 0.853,1004 0.927,1005 0.927,1006 0.927,1007 5.133,1008 1.638,1009 5.989,1010 4.824,1011 4.595,1012 5.255,1013 2.143,1014 6.832,1015 4.465,1016 6.392,1017 1.521,1018 7.574,1019 4.404,1020 4.369,1021 5.33,1022 1.593,1023 7.972,1024 4.157,1025 7.747,1026 1.379,1027 9.267,1028 4.38,1029 6.267,1030 7.601,1031 2.962,1032 10.994,1033 5.994,1034 9.141,1035 1.099,1036 11.026,1037 3.738,1038 6.825,1039 8.47,1040 3.032,1041 12.976,1042 6.446,1043 10.568,1044 1,1045 12.832,1046 2.537,1047 8.256,1048 10.275,1049 4.052,1050 15.603,1051 7.823,1052 12.02,1053 0.497,1054 14.672,1055 2.275,1056 9.163,1057 11.5,1058 4.409,1059 17.916,1060 8.616,1061 13.492,1062 0.411,1063 16.539,1064 1.083,1065 10.425,1066 13.131,1067 5.254,1068 20.444,1069 9.817,1070 3.393,1071 -0.119,1072 18.427,1073 0.76,1074 11.49,1075 14.52,1076 5.75,1077 22.882,1078 10.77,1079 3.062,1080 12.509,1081 20.332,1082 -0.333,1083 12.697,1084 16.083,1085 6.502,1086 25.392,1087 11.903,1088 2.785,1089 9.8,1090 22.251,1091 4.707,1092 13.833,1093 17.546,1094 7.068,1095 27.878,1096 12.933,1097 2.494,1098 8.898,1099 24.182,1100 4.453,1101 15.025,1102 19.085,1103 7.771,1104 30.389,1105 14.042,1106 2.357,1107 7.045,1108 26.122,1109 3.807,1110 16.194,1111 20.584,1112 8.374,1113 32.896,1114 15.109,1115 2.198,1116 6.765,1117 28.071,1118 3.434,1119 17.387,1120 22.115,1121 9.051,1122 35.412,1123 16.211,1124 1.748,1125 6.497,1126 30.025,1127 3.125,1128 18.573,1129 23.631,1130 9.674,1131 37.928,1132 17.298,1133 13046,1134 24456,1135 22.364,1136 34.71,1137 51.526,1138 52.948,1139 52.731,1140 51.112,1141 51.164,1142 71.307,1143 5.832,1144 151.029,1145 47.936,1146 5.687,1147 6.686,1148 6.858,1149 5.433,1150 5.393,1151 7.707,1152 3.306,1153 19.859,1154 5.084,1155 16.9,1156 1.515,1157 1.557,1158 1.551,1159 1.503,1160 1.505,1161 2.097,1162 0.172,1163 4.442,1164 1.41,1165 4.111,1166 4.117,1167 4.736,1168 4.083,1169 7.717,1170 4.035,1171 4.04,1172 4.028,1173 4.322,1174 4.034,1175 7.43,1176 3.957,1177 3.794,1178 3.837,1179 3.804,1180 3.663,1181 6.999,1182 3.667,1183 3.623,1184 3.628,1185 3.717,1186 3.525,1187 5.038,1188 3.463,1189 3.555,1190 3.573,1191 3.49,1192 3.346,1193 4.904,1194 3.36,1195 3.23,1196 3.28,1197 3.333,1198 3.15,1199 4.846,1200 3.107,1201 3.188,1202 3.25,1203 3.003,1204 2.914,1205 4.329,1206 2.912,1207 2.894,1208 2.945,1209 2.891,1210 2.798,1211 4.3,1212 2.781,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.856,1219 0.138,1220 4.686,1221 0.056,1222 7.308,1223 0.368,1224 4.311,1225 0.091,1226 3.393,1227 4.707,1228 1.907,1229 12.509,1230 3.084,1231 1.969,1232 1.97,1233 2.01,1234 2.061,1235 1.167,1236 2.077,1237 1.934,1238 1.926,1239 1.97,1240 2,1241 1.149,1242 2.015,1243 1.668,1244 1.632,1245 1.746,1246 1.836,1247 0.765,1248 1.822,1249 1.525,1250 1.482,1251 1.724,1252 1.773,1253 0.738,1254 1.762,1255 1.425,1256 1.455,1257 1.569,1258 1.611,1259 0.614,1260 1.635,1261 1.195,1262 1.168,1263 1.253,1264 1.437,1265 0.512,1266 1.471,1267 1.148,1268 1.07,1269 1.184,1270 1.349,1271 0.431,1272 1.38,1273 0.902,1274 0.875,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.234,1281 5.58,1282 2.398,1283 7.107,1284 4.727,1285 8.716,1286 6.823,1287 10.366,1289 2.929,1296 5.066,1297 5.052,1305 33.501,1306 90.543,1307 191.284,1308 228.568,1309 248.568,1310 248.568,1311 248.568,1312 61.491,1313 7.933,1314 123.17,1315 159.79,1316 23,1317 12.684,1318 4.7,1319 3.907,1320 49.628,1321 142,1322 152,1323 0.17,1324 213.061,1325 359.66,1326 511.628,1327 32928,1329 22.01,1330 0.71,1331 0.585,1332 22.613,1333 18.12,1334 14.836,1335 0.436,1336 0.333,1337 9.064,1338 12.97,1339 8.621,1340 7.171,1341 16.065,1342 11.324,1343 14.172,1344 0.289,1345 0.187,1346 16.141,1347 9.142,1348 11.091,1349 0.179,1350 0.105,1351 12.93,1352 6.496,1353 9.411,1354 0.116,1355 0.058,1356 11.375,1357 4.693,1358 7.24,1359 0.072,1360 0.031,1361 8.834,1362 3.096,1363 0.272,1364 106.06,1365 0.211,1366 29.413,1367 0.453,1368 166,1369 578.264,1370 248.841,1371 595.204,1372 804.28,1373 550,1374 194,1375 547.38,1376 279.257,1377 604.991,1378 880.25,1379 565,1380 6.932}
{0 CHEMBL1773575,1 1.858,2 13.5,3 3.562,4 12.69,5 122.407,6 9.208,7 0.629,8 4.06,9 4.143,10 3.961,11 3.668,12 5.236,13 3.633,14 4.567,15 4.701,16 4.325,17 4.032,18 5.938,19 3.989,20 4.711,21 4.831,22 4.355,23 4.147,24 6.015,25 4.091,26 4.837,27 4.993,28 4.321,29 4.14,30 6.234,31 4.077,32 4.755,33 4.925,34 4.192,35 4.097,36 5.958,37 4.016,38 4.758,39 4.956,40 4.149,41 4.048,42 5.991,43 3.958,44 4.638,45 4.804,46 4.072,47 3.959,48 5.896,49 3.885,50 4.656,51 4.846,52 3.985,53 3.885,54 5.892,55 3.793,56 0.148,57 0.81,58 9.587,59 4.89,60 16.369,61 4.769,62 0.601,63 1.293,64 18.337,65 7.835,66 53.862,67 8.181,68 0.484,69 1.478,70 27.01,71 10.163,72 51.647,73 9.177,74 0.88,75 1.572,76 28.022,77 10.325,78 105.281,79 9.68,80 0.493,81 1.477,82 27.988,83 10.528,84 51.628,85 10.999,86 0.692,87 1.434,88 26.869,89 10.339,90 63.79,91 11.835,92 0.468,93 1.304,94 26.716,95 9.554,96 50.026,97 9.803,98 0.748,99 1.22,100 26.978,101 9.48,102 87.508,103 9.447,104 42,105 51,106 0.305,107 0.649,108 0.789,109 0.854,110 0.854,111 0.854,112 3.502,113 1.001,114 -3.37,115 -3.35,116 -3.21,119 41.2,120 1,124 2,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 6,175 8,178 2,180 2,183 6,187 12,195 7,198 5,199 13,204 2,207 3,212 9,217 2,220 1,223 4,224 13,232 2,237 8,240 1,242 1,245 6,249 4,250 2,258 8,262 1,263 4,266 2,271 7,275 1746,276 21.176,277 21.176,278 21.176,279 21.176,280 21.176,281 18.259,282 20.322,283 12.145,284 21.934,285 17.189,286 17.189,287 17.189,288 17.189,289 17.189,290 12.583,291 27.322,292 5.682,293 18.406,294 3.815,295 1.722,296 0.868,297 0.476,298 0.476,299 0.476,300 4.192,304 1,305 1,306 926,307 4.243,310 79.614,311 311.505,314 138.654,318 2.094,319 44.05,322 1,323 0.67,324 1,325 0.4,327 0.83,328 1,329 0.7,330 70.5,331 432,332 4.946,333 4.727,334 7.692,335 4.453,336 3.532,337 4.772,338 1.907,339 13.68,340 3.228,341 4.516,342 3.536,343 6.347,344 4.002,345 3.062,346 4.453,347 0.86,348 9.808,349 2.903,350 4.186,351 3.069,352 6.118,353 3.726,354 2.796,355 3.819,356 0.4,357 8.978,358 2.585,359 3.91,360 2.918,361 5.889,362 3.488,363 2.538,364 3.451,365 0.149,366 7.837,367 2.406,368 3.74,369 2.804,370 5.332,371 3.32,372 2.377,373 3.155,375 6.847,376 2.257,377 3.594,378 2.603,379 5.255,380 3.208,381 2.254,382 2.854,384 6.59,385 2.114,386 3.214,387 2.119,388 4.923,389 2.737,390 1.782,391 2.433,393 5.028,394 1.679,395 3.122,396 1.821,397 4.474,398 2.621,399 1.672,400 2.348,402 4.422,403 1.56,404 3.019,405 1.534,406 4.383,407 2.452,408 1.521,409 2.26,411 4.382,412 1.402,413 2.887,414 1.497,415 4.263,416 2.375,417 1.407,418 2.036,420 3.82,421 1.352,422 2.595,423 1.157,424 3.745,425 2.04,426 1.105,427 1.639,428 2.589,429 1.03,430 2.5,431 1.088,432 3.463,433 2,434 1,435 1.5,436 2.275,437 1,438 2.011,439 1,440 3.414,441 1.635,442 0.714,443 0.873,445 1.797,446 0.654,447 1.902,448 0.834,449 3.162,450 1.339,451 0.468,452 0.61,454 1.08,455 0.404,456 1.65,457 0.589,458 2.892,459 1.313,460 0.41,461 0.535,463 0.722,464 0.364,465 15.5,466 0.484,467 0.985,468 0.031,469 47.25,470 1.477,471 26,472 0.813,473 21.25,474 0.664,475 24.321,476 0.76,477 33.7,478 0.661,479 38.449,480 1.202,481 9.171,482 0.287,483 6.102,484 0.191,485 0.161,486 0.054,487 0.316,493 0.639,494 1.367,495 0.745,496 1.135,497 0.651,498 0.894,499 0.722,500 0.844,501 0.726,502 0.758,503 0.591,504 0.699,505 1.219,506 1.308,507 1.335,508 1.289,509 1.1,510 1.026,511 1.322,512 0.976,513 1.133,514 0.931,515 1.421,516 0.985,517 0.935,518 1.2,519 1.106,520 1.176,521 0.987,522 1.1,523 0.687,524 0.952,525 0.834,526 0.874,527 0.712,528 0.937,529 1.026,530 1.171,531 1.204,532 1.241,533 1.046,534 1.091,535 1.34,536 0.746,537 0.876,538 0.714,539 1.479,540 0.936,541 8.5,542 0.246,543 4.444,544 2.854,545 1.818,546 1.546,547 0.842,548 0.602,549 0.366,550 0.278,551 14304,552 48317,553 2.037,554 37.3,556 14,558 1,559 1,560 3,564 1.743,565 1.873,566 3.704,567 -0.248,569 1,573 94.735,574 1.858,575 3.951,576 4.804,577 5.197,578 5.197,579 5.197,580 3.215,581 4.328,582 4.967,583 3.845,584 1907.28,585 8.684,586 27865.6,591 289.294,592 1.646,593 4.907,594 0.243,595 0.009,596 0.087,597 0.054,598 0.037,599 0.034,600 0.02,601 0.015,602 0.011,603 0.009,604 0.518,605 0.33,606 0.75,607 1.015,608 168.921,609 0.023,610 -0.245,611 0.162,612 -0.103,613 -0.14,614 -0.01,615 0.225,616 0.243,617 0.203,618 0.215,619 0.191,620 0.194,621 -0.233,622 -0.212,623 -0.203,624 -0.16,625 -0.093,626 -0.103,627 -0.155,628 0.073,629 -0.156,630 0.034,631 -0.108,632 -0.088,633 -0.111,634 -0.186,635 -0.114,636 -0.168,637 -0.099,638 -0.12,639 0.159,640 0.017,641 0.088,642 0.06,643 0.1,644 0.065,645 -0.111,646 -0.161,647 -0.144,648 -0.189,649 -0.046,650 -0.105,651 -0.16,652 0.176,653 0.02,654 0.188,655 -0.218,656 0.032,657 4.771,658 6.01,659 0.656,660 35.238,661 1.023,662 1.119,663 2.14,664 4.582,665 0.715,666 3.584,667 3.951,668 4.22,669 4.454,670 4.663,671 4.796,672 4.956,673 5.011,674 5.081,675 5.204,676 7.569,677 0.687,678 469.59,679 3.584,680 5.153,681 6.014,682 6.909,683 7.788,684 8.687,685 9.574,686 10.475,687 11.366,688 12.268,689 9.8,695 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 51,733 25,734 2,735 35,737 54,738 21,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 3,766 3,769 1,771 3,775 1,778 1,781 19,782 9,783 1,784 11,785 2,790 5,794 0.75,795 4,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 3,848 32,852 1,855 1,856 1,859 1,863 1,870 7.8,873 3,875 1,877 17.083,878 10.3,879 6.917,880 2.725,881 4.223,882 1.529,883 1,884 6.201,885 12.197,886 3.912,887 4.588,888 5.164,889 5.763,890 6.311,891 6.688,892 7.163,893 7.534,894 7.854,895 8.293,896 1,897 53,898 12.077,900 5.451,901 7.992,902 21.98,904 17.915,905 2.492,906 79.75,910 211.88,911 172.778,912 69.886,914 80.458,916 37.085,917 135.693,918 292.338,919 69.886,920 28.105,921 18.011,922 81.617,923 136.29,924 36.947,925 2.645,926 231.386,928 211.88,929 205.579,930 80.458,931 37.085,933 211.88,934 80.458,937 43.184,938 112.038,939 56.164,940 31.278,941 211.88,942 150.344,943 172.778,945 5.807,946 211.88,947 54.009,948 114.481,949 18.011,950 130.814,951 211.88,952 150.344,953 172.778,955 0.593,956 0.345,957 0.176,958 0.093,959 25,960 12,961 0.111,962 6,963 1,964 1.095,965 4.224,966 294.98,967 0.095,968 21,969 154,970 1,973 1,974 22.278,975 8.906,976 4.657,977 1.613,978 150.344,979 14.872,980 12.968,983 1.346,984 2.55,986 18.011,987 535.002,988 49,991 -3.854,993 37.293,997 -0.189,999 52.156,1000 57.076,1001 0.327,1002 0.696,1003 0.847,1004 0.916,1005 0.916,1006 0.916,1007 5.162,1008 1.672,1009 6.047,1010 5.028,1011 4.635,1012 5.276,1013 2.18,1014 6.921,1015 4.503,1016 6.424,1017 1.521,1018 7.659,1019 4.422,1020 4.443,1021 5.359,1022 1.593,1023 8.139,1024 4.23,1025 7.783,1026 1.407,1027 9.384,1028 4.382,1029 6.333,1030 7.625,1031 2.965,1032 11.216,1033 6.059,1034 9.185,1035 1.105,1036 11.181,1037 3.82,1038 6.948,1039 8.514,1040 3.032,1041 13.307,1042 6.571,1043 10.622,1044 1,1045 13.028,1046 2.589,1047 8.377,1048 10.314,1049 4.052,1050 16.017,1051 7.943,1052 12.085,1053 0.714,1054 14.914,1055 2.275,1056 9.341,1057 11.559,1058 4.409,1059 18.439,1060 8.797,1061 13.57,1062 0.468,1063 16.83,1064 1.797,1065 10.619,1066 13.19,1067 5.254,1068 21.067,1069 10.009,1070 3.532,1071 0.41,1072 18.771,1073 1.08,1074 11.737,1075 14.596,1076 5.75,1077 23.609,1078 11.02,1079 3.062,1080 13.68,1081 20.73,1082 0.722,1083 12.973,1084 16.165,1085 6.502,1086 26.221,1087 12.179,1088 2.796,1089 9.808,1090 22.706,1091 4.772,1092 14.158,1093 17.644,1094 7.068,1095 28.808,1096 13.262,1097 2.538,1098 8.978,1099 24.694,1100 4.453,1101 15.388,1102 19.192,1103 7.771,1104 31.42,1105 14.407,1106 2.377,1107 7.837,1108 26.692,1109 3.819,1110 16.605,1111 20.704,1112 8.374,1113 34.023,1114 15.525,1115 2.254,1116 6.847,1117 28.699,1118 3.451,1119 17.84,1120 22.246,1121 9.051,1122 36.636,1123 16.669,1124 1.782,1125 6.59,1126 30.712,1127 3.155,1128 19.073,1129 23.776,1130 9.674,1131 39.247,1132 17.806,1133 13775,1134 25512,1135 22.77,1136 36.472,1137 53.585,1138 54.863,1139 55.325,1140 53.223,1141 53.278,1142 73.478,1143 6.632,1144 159.708,1145 49.877,1146 5.779,1147 6.727,1148 7.242,1149 5.575,1150 5.532,1151 7.772,1152 3.306,1153 21.92,1154 5.228,1155 18.581,1156 1.531,1157 1.568,1158 1.581,1159 1.521,1160 1.522,1161 2.099,1162 0.189,1163 4.563,1164 1.425,1165 4.118,1166 4.123,1167 4.742,1168 4.089,1169 7.715,1170 4.038,1171 4.043,1172 4.035,1173 4.322,1174 4.037,1175 7.43,1176 3.963,1177 3.801,1178 3.843,1179 3.808,1180 3.669,1181 6.999,1182 3.675,1183 3.635,1184 3.643,1185 3.718,1186 3.536,1187 5.033,1188 3.482,1189 3.555,1190 3.585,1191 3.492,1192 3.347,1193 4.898,1194 3.36,1195 3.245,1196 3.306,1197 3.335,1198 3.151,1199 4.846,1200 3.109,1201 3.201,1202 3.256,1203 3.026,1204 2.954,1205 4.329,1206 2.953,1207 3.079,1208 3.142,1209 2.947,1210 2.852,1211 4.3,1212 2.822,1213 0.141,1214 0.135,1215 0.22,1216 0.127,1217 0.101,1218 4.946,1219 0.136,1220 4.727,1221 0.054,1222 7.692,1223 0.391,1224 4.453,1225 0.092,1226 3.532,1227 4.772,1228 1.907,1229 13.68,1230 3.228,1231 1.973,1232 1.976,1233 2.011,1234 2.069,1235 1.182,1236 2.084,1237 1.935,1238 1.926,1239 1.971,1240 2.001,1241 1.153,1242 2.015,1243 1.681,1244 1.645,1245 1.764,1246 1.849,1247 0.832,1248 1.839,1249 1.525,1250 1.482,1251 1.726,1252 1.775,1253 0.739,1254 1.763,1255 1.465,1256 1.474,1257 1.598,1258 1.645,1259 0.688,1260 1.665,1261 1.196,1262 1.168,1263 1.563,1264 1.487,1265 0.576,1266 1.515,1267 1.184,1268 1.102,1269 1.25,1270 1.349,1271 0.432,1272 1.38,1273 1.029,1274 0.971,1275 1.181,1276 1.269,1277 0.383,1278 1.325,1279 4.263,1281 5.617,1282 2.398,1283 7.162,1284 4.727,1285 8.789,1286 6.823,1287 10.461,1289 4.348,1296 2.678,1297 5.085,1300 1.04,1305 35.028,1306 94.735,1307 201.48,1308 245.029,1309 265.029,1310 265.029,1311 265.029,1312 66.397,1313 7.975,1314 114.38,1315 151,1316 23,1317 12.791,1318 4.7,1319 3.907,1320 52.017,1321 146,1322 156,1323 0.175,1324 222.653,1325 376.96,1326 535.033,1327 34094,1329 22.88,1330 0.715,1331 0.596,1332 23.484,1333 19.067,1334 15.273,1335 0.436,1336 0.334,1337 9.446,1338 13.34,1339 8.947,1340 7.46,1341 16.47,1342 11.68,1343 14.483,1344 0.284,1345 0.192,1346 16.494,1347 9.773,1348 12.036,1349 0.18,1350 0.109,1351 14.146,1352 7.295,1353 9.645,1354 0.113,1355 0.059,1356 11.608,1357 5.013,1358 7.436,1359 0.071,1360 0.031,1361 9.01,1362 3.287,1363 0.278,1364 108.58,1365 0.21,1366 30.036,1367 0.472,1368 172,1369 589.576,1370 258.542,1371 605.097,1372 821.44,1373 560,1374 204,1375 561.663,1376 293.036,1377 621.194,1378 908.35,1379 580,1380 7.119}
{0 CHEMBL1773576,1 1.83,2 13.485,3 3.911,4 15.297,5 127.155,6 8.956,7 0.611,8 4.108,9 4.196,10 3.983,11 3.712,12 5.262,13 3.673,14 4.625,15 4.765,16 4.345,17 4.074,18 5.965,19 4.025,20 4.786,21 4.93,22 4.402,23 4.197,24 6.024,25 4.134,26 4.885,27 5.031,28 4.403,29 4.216,30 6.283,31 4.152,32 4.892,33 5.066,34 4.267,35 4.193,36 6.118,37 4.12,38 4.854,39 5.043,40 4.223,41 4.175,42 6.062,43 4.079,44 4.811,45 4.999,46 4.139,47 4.109,48 5.99,49 4.011,50 4.804,51 5.011,52 4.057,53 4.015,54 5.977,55 3.908,56 0.138,57 0.85,58 10.796,59 5.23,60 17.126,61 5.353,62 0.591,63 1.361,64 20.357,65 8.464,66 56.518,67 9.244,68 0.512,69 1.581,70 30.495,71 10.846,72 58.317,73 10.536,74 0.813,75 1.674,76 32.449,77 11.47,78 98.039,79 10.982,80 0.664,81 1.66,82 32.773,83 11.402,84 84.298,85 11.799,86 0.658,87 1.582,88 28.166,89 11.368,90 62.638,91 13.331,92 0.489,93 1.517,94 32.065,95 11.554,96 56.851,97 12.92,98 0.752,99 1.396,100 31.931,101 11.199,102 90.254,103 12.214,104 47,105 52,106 0.298,107 0.643,108 0.796,109 0.857,110 0.857,111 0.857,112 3.532,113 1.021,114 -3.59,115 -3.56,116 -3.4,119 40.7,120 2,124 1,125 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 6,175 9,178 2,180 2,183 6,187 12,195 7,198 5,199 17,204 2,207 3,212 9,217 2,220 3,223 4,224 13,232 6,237 8,240 1,242 1,245 8,249 4,250 3,258 9,262 1,263 4,266 2,271 8,275 1929,276 22.046,277 22.046,278 22.046,279 22.046,280 22.046,281 19.129,282 21.904,283 12.688,284 22.849,285 17.644,286 17.644,287 17.644,288 17.644,289 17.644,290 13.053,291 29.822,292 5.834,293 18.888,294 3.925,295 1.803,296 0.857,297 0.486,298 0.486,299 0.486,300 4.222,305 1,306 951,307 4.359,310 82.814,311 323.88,314 144.012,318 2.044,319 45.411,322 1,323 0.67,324 1,325 0.6,327 0.83,328 1,329 0.73,330 72.5,331 445,332 4.953,333 4.729,334 7.722,335 4.467,336 3.545,337 4.775,338 1.907,339 13.898,340 3.244,341 4.516,342 3.536,343 6.348,344 4.002,345 3.062,346 4.453,347 0.86,348 9.81,349 2.903,350 4.188,351 3.073,352 6.138,353 3.728,354 2.798,355 3.821,356 0.4,357 9.006,358 2.586,359 3.914,360 2.942,361 5.941,362 3.497,363 2.548,364 3.453,365 0.149,366 8.047,367 2.413,368 3.745,369 2.804,370 5.332,371 3.322,372 2.382,373 3.158,375 6.849,376 2.257,377 3.599,378 2.628,379 5.256,380 3.22,381 2.263,382 2.857,384 6.598,385 2.127,386 3.221,387 2.125,388 4.937,389 2.754,390 1.799,391 2.441,393 5.102,394 1.697,395 3.126,396 1.841,397 4.477,398 2.627,399 1.682,400 2.35,402 4.423,403 1.562,404 3.02,405 1.551,406 4.384,407 2.454,408 1.522,409 2.26,411 4.382,412 1.405,413 2.899,414 1.515,415 4.276,416 2.39,417 1.423,418 2.046,420 3.854,421 1.364,422 2.598,423 1.236,424 3.908,425 2.065,426 1.124,427 1.643,428 2.728,429 1.054,430 2.5,431 1.096,432 3.471,433 2,434 1.036,435 1.5,436 2.343,437 1,438 2.308,439 1.013,440 3.414,441 1.981,442 1,443 1.251,445 2.275,446 0.976,447 1.903,448 1,449 3.162,450 1.353,451 0.489,452 0.611,454 1.081,455 0.418,456 1.652,457 0.589,458 2.965,459 1.314,460 0.411,461 0.548,463 0.739,464 0.364,465 16,466 0.485,467 0.947,468 0.029,469 47.75,470 1.447,471 26,472 0.788,473 21.75,474 0.659,475 26.684,476 0.809,477 35,478 0.648,479 39.147,480 1.186,481 9.15,482 0.277,483 6.661,484 0.202,485 0.156,486 0.052,487 0.306,493 0.633,494 1.371,495 0.751,496 1.142,497 0.646,498 0.913,499 0.7,500 0.915,501 0.728,502 0.806,503 0.578,504 0.755,505 1.212,506 1.192,507 1.225,508 1.142,509 1.092,510 0.907,511 1.281,512 1.114,513 1.265,514 1.114,515 1.351,516 1.025,517 1.253,518 1.075,519 1.145,520 1.045,521 1.386,522 1.025,523 0.657,524 1.012,525 0.858,526 0.942,527 0.686,528 1.032,529 0.892,530 1.137,531 1.111,532 1.196,533 0.921,534 1.111,535 1.173,536 0.775,537 0.816,538 0.746,539 1.311,540 0.948,541 8.5,542 0.266,543 4.444,544 3.104,545 1.818,546 1.573,547 0.902,548 0.629,549 0.403,550 0.294,551 15147,552 49860,553 2.036,554 38.9,556 13,558 1,559 1,560 3,561 3,564 1.753,565 1.877,566 3.685,567 -0.262,569 1,573 98.808,574 1.83,575 3.952,576 4.898,577 5.269,578 5.269,579 5.269,580 3.195,581 4.681,582 5.011,583 3.839,584 2026.82,585 8.781,586 30056.8,591 310.764,592 1.628,593 4.954,594 0.236,595 0.009,596 0.085,597 0.056,598 0.034,599 0.032,600 0.019,601 0.015,602 0.011,603 0.008,604 0.506,605 0.33,606 0.75,607 1.067,608 175.311,609 0.031,610 -0.237,611 0.164,612 -0.097,613 -0.132,614 -0.009,615 0.245,616 0.171,617 0.204,618 0.171,619 0.202,620 0.153,621 -0.21,622 -0.093,623 -0.081,624 -0.023,625 -0.096,626 0.035,627 -0.112,628 -0.03,629 -0.19,630 -0.069,631 -0.031,632 -0.12,633 -0.247,634 -0.047,635 -0.173,636 -0.069,637 -0.221,638 -0.083,639 0.146,640 -0.033,641 0.015,642 -0.019,643 0.084,644 -0.05,645 -0.054,646 -0.157,647 -0.097,648 -0.172,649 -0.019,650 -0.101,651 -0.082,652 0.131,653 0.064,654 0.149,655 -0.155,656 0.04,657 4.783,658 6.241,659 0.636,660 36.336,661 1.019,662 1.12,663 2.359,664 5.566,665 0.708,666 3.611,667 3.97,668 4.248,669 4.511,670 4.7,671 4.836,672 4.997,673 5.069,674 5.136,675 5.242,676 7.557,677 0.677,678 483.62,679 3.611,680 5.176,681 6.038,682 6.936,683 7.816,684 8.72,685 9.608,686 10.514,687 11.405,688 12.312,689 9.3,695 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 54,733 25,734 2,735 36,737 57,738 22,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 4,766 3,769 1,771 3,775 1,781 21,782 9,783 1,784 11,785 2,790 5,794 0.75,795 4,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 3,848 33,852 1,854 1,855 1,856 1,859 1,863 1,870 7.4,873 3,875 1,877 17.583,878 10.8,879 7.25,880 3.125,881 4.197,882 1.524,883 0.995,884 6.704,885 12.212,886 3.932,887 4.598,888 5.175,889 5.788,890 6.324,891 6.704,892 7.181,893 7.559,894 7.877,895 8.313,896 1,897 55,898 12.475,900 5.609,901 7.962,902 22.796,904 18.57,905 2.462,906 81.25,910 235.422,911 175.313,912 69.886,914 80.458,916 37.085,917 138.227,918 315.88,919 69.886,920 28.533,921 20.116,922 81.617,923 136.29,924 36.947,925 2.645,926 254.929,928 235.422,929 208.113,930 80.458,931 37.085,933 200.109,934 115.771,937 54.115,938 103.642,939 56.164,940 31.278,941 235.422,942 150.344,943 175.313,945 5.807,946 235.422,947 56.114,948 114.909,949 18.011,950 130.814,951 235.422,952 150.344,953 175.313,955 0.587,956 0.346,957 0.187,958 0.096,959 25,960 12,961 0.123,962 7,963 1,964 1.095,965 4.266,966 309.405,967 0.095,968 21,969 160.465,970 1,973 1,974 23.243,975 9.517,976 4.883,977 1.619,978 150.344,979 15.001,980 13.124,983 1.351,984 2.628,986 18.011,987 561.078,988 50,991 -3.866,993 37.784,997 -0.188,999 55.04,1000 60.491,1001 0.318,1002 0.687,1003 0.851,1004 0.915,1005 0.915,1006 0.915,1007 5.179,1008 1.682,1009 6.066,1010 5.102,1011 4.654,1012 5.286,1013 2.18,1014 6.944,1015 4.523,1016 6.435,1017 1.522,1018 7.676,1019 4.423,1020 4.443,1021 5.359,1022 1.593,1023 8.174,1024 4.23,1025 7.793,1026 1.423,1027 9.401,1028 4.382,1029 6.351,1030 7.63,1031 2.965,1032 11.261,1033 6.077,1034 9.193,1035 1.124,1036 11.2,1037 3.854,1038 6.957,1039 8.516,1040 3.032,1041 13.374,1042 6.581,1043 10.63,1044 1.036,1045 13.05,1046 2.728,1047 8.395,1048 10.317,1049 4.052,1050 16.095,1051 7.962,1052 12.093,1053 1,1054 14.939,1055 2.343,1056 9.359,1057 11.562,1058 4.409,1059 18.54,1060 8.817,1061 13.578,1062 0.489,1063 16.858,1064 2.275,1065 10.642,1066 13.194,1067 5.254,1068 21.181,1069 10.034,1070 3.545,1071 0.411,1072 18.802,1073 1.081,1074 11.763,1075 14.6,1076 5.75,1077 23.745,1078 11.049,1079 3.062,1080 13.898,1081 20.766,1082 0.739,1083 13.003,1084 16.17,1085 6.502,1086 26.372,1087 12.212,1088 2.798,1089 9.81,1090 22.745,1091 4.775,1092 14.192,1093 17.649,1094 7.068,1095 28.978,1096 13.3,1097 2.548,1098 9.006,1099 24.738,1100 4.453,1101 15.427,1102 19.197,1103 7.771,1104 31.605,1105 14.449,1106 2.382,1107 8.047,1108 26.74,1109 3.821,1110 16.648,1111 20.711,1112 8.374,1113 34.226,1114 15.573,1115 2.263,1116 6.849,1117 28.751,1118 3.453,1119 17.887,1120 22.253,1121 9.051,1122 36.855,1123 16.722,1124 1.799,1125 6.598,1126 30.768,1127 3.158,1128 19.125,1129 23.783,1130 9.674,1131 39.482,1132 17.864,1133 14633,1134 26750,1135 23.463,1136 38.233,1137 54.612,1138 55.914,1139 56.797,1140 54.1,1141 54.169,1142 74.336,1143 6.632,1144 162.267,1145 50.741,1146 5.791,1147 6.729,1148 7.272,1149 5.59,1150 5.545,1151 7.775,1152 3.306,1153 22.183,1154 5.244,1155 19.018,1156 1.517,1157 1.553,1158 1.578,1159 1.503,1160 1.505,1161 2.065,1162 0.184,1163 4.507,1164 1.409,1165 4.121,1166 4.126,1167 4.743,1168 4.091,1169 7.715,1170 4.039,1171 4.044,1172 4.037,1173 4.322,1174 4.038,1175 7.43,1176 3.965,1177 3.804,1178 3.846,1179 3.81,1180 3.673,1181 6.999,1182 3.679,1183 3.645,1184 3.662,1185 3.718,1186 3.542,1187 5.033,1188 3.495,1189 3.555,1190 3.592,1191 3.494,1192 3.347,1193 4.897,1194 3.36,1195 3.378,1196 3.426,1197 3.339,1198 3.208,1199 4.846,1200 3.172,1201 3.223,1202 3.268,1203 3.203,1204 3.145,1205 4.329,1206 3.101,1207 3.177,1208 3.24,1209 2.995,1210 2.905,1211 4.3,1212 2.897,1213 0.138,1214 0.131,1215 0.215,1216 0.124,1217 0.098,1218 4.953,1219 0.133,1220 4.729,1221 0.053,1222 7.722,1223 0.386,1224 4.467,1225 0.09,1226 3.545,1227 4.775,1228 1.907,1229 13.898,1230 3.244,1231 1.975,1232 1.978,1233 2.012,1234 2.072,1235 1.203,1236 2.088,1237 1.936,1238 1.926,1239 1.972,1240 2.001,1241 1.154,1242 2.015,1243 1.694,1244 1.656,1245 1.835,1246 1.861,1247 0.996,1248 1.858,1249 1.527,1250 1.494,1251 1.73,1252 1.778,1253 0.746,1254 1.764,1255 1.517,1256 1.482,1257 1.708,1258 1.697,1259 0.735,1260 1.714,1261 1.311,1262 1.284,1263 1.568,1264 1.549,1265 0.601,1266 1.58,1267 1.195,1268 1.168,1269 1.251,1270 1.385,1271 0.491,1272 1.433,1273 1.129,1274 1.057,1275 1.181,1276 1.348,1277 0.431,1278 1.38,1279 4.29,1281 5.638,1282 2.398,1283 7.182,1284 4.727,1285 8.812,1286 6.823,1287 10.488,1289 4.675,1295 0.159,1296 2.686,1297 5.112,1300 1.165,1305 36.555,1306 98.808,1307 213.426,1308 264.499,1309 284.499,1310 284.499,1311 284.499,1312 71.416,1313 8.015,1314 114.38,1315 151,1316 23,1317 12.832,1318 4.7,1319 3.907,1320 54.427,1321 149,1322 162,1323 0.178,1324 232.245,1325 394.26,1326 558.439,1327 35379,1329 23.587,1330 0.715,1331 0.599,1332 24.191,1333 19.775,1334 15.811,1335 0.439,1336 0.34,1337 10.027,1338 13.905,1339 9.53,1340 7.942,1341 17.008,1342 12.256,1343 14.709,1344 0.283,1345 0.19,1346 16.678,1347 9.863,1348 12.12,1349 0.176,1350 0.11,1351 14.223,1352 7.571,1353 10.347,1354 0.115,1355 0.062,1356 12.538,1357 5.54,1358 7.683,1359 0.07,1360 0.032,1361 9.316,1362 3.507,1363 0.282,1364 111.723,1365 0.206,1366 30.693,1367 0.484,1368 176,1369 593.576,1370 262.875,1371 608.731,1372 828.62,1373 564,1374 209,1375 569.015,1376 299.873,1377 626.711,1378 919.8,1379 587,1380 7.208}
{0 CHEMBL1773577,1 1.996,2 12.333,3 3.431,4 11.77,5 111.926,6 10.08,7 0.667,8 3.933,9 4.01,10 3.909,11 3.581,12 5.172,13 3.553,14 4.42,15 4.526,16 4.264,17 3.939,18 5.933,19 3.906,20 4.612,21 4.748,22 4.299,23 4.001,24 5.971,25 3.962,26 4.623,27 4.764,28 4.297,29 3.938,30 6.313,31 3.902,32 4.518,33 4.668,34 4.06,35 3.855,36 5.883,37 3.814,38 4.47,39 4.638,40 4.008,41 3.806,42 5.862,43 3.761,44 4.381,45 4.53,46 3.947,47 3.739,48 5.753,49 3.697,50 4.359,51 4.534,52 3.844,53 3.667,54 5.685,55 3.597,56 0.183,57 0.784,58 6.322,59 4.095,60 25.579,61 3.37,62 0.511,63 1.244,64 11.343,65 6.628,66 60.433,67 6.275,68 0.652,69 1.496,70 20.512,71 8.771,72 94.366,73 6.83,74 0.993,75 1.486,76 20.105,77 8.683,78 141.998,79 7.267,80 0.61,81 1.279,82 21.896,83 8.239,84 79.776,85 6.624,86 0.607,87 1.227,88 16.528,89 7.157,90 72.214,91 6.69,92 0.485,93 1.109,94 16.009,95 6.77,96 59.616,97 5.978,98 0.543,99 1.06,100 18.776,101 7.38,102 76.041,103 6.595,104 28,105 48,106 0.337,107 0.667,108 0.795,109 0.887,110 0.895,111 0.895,112 3.44,113 0.991,114 -3.77,115 -3.74,116 -3.55,119 43.2,120 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 6,174 2,175 6,178 6,180 2,183 6,187 6,192 1,195 6,198 5,199 9,204 6,207 3,212 7,217 5,220 1,223 1,224 12,229 1,232 2,237 9,240 1,242 2,245 4,249 1,250 2,253 1,258 6,262 1,263 4,266 1,267 1,271 8,275 1474,276 19.781,277 19.781,278 19.781,279 19.781,280 19.781,281 16.737,282 13.582,283 11.529,284 20.387,285 16.336,286 16.336,287 16.336,288 16.336,289 16.336,290 11.693,291 13.895,292 5.517,293 17.433,294 3.463,295 1.501,296 0.744,297 0.199,298 0.154,299 0.154,300 4.132,304 1,305 1,306 796,307 3.873,310 72.042,311 283.649,314 125.729,318 2,319 49.272,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 67,331 370,332 4.888,333 4.714,334 7.4,335 4.35,336 3.435,337 4.744,338 1.907,339 12.878,340 3.113,341 4.516,342 3.536,343 6.343,344 4.003,345 3.063,346 4.453,347 0.149,348 9.8,349 2.903,350 4.176,351 3.06,352 6.074,353 3.721,354 2.789,355 3.809,357 8.905,358 2.583,359 3.853,360 2.852,361 5.647,362 3.389,363 2.443,364 3.397,366 7.393,367 2.306,368 3.702,369 2.766,370 5.271,371 3.288,372 2.318,373 3.114,375 6.655,376 2.245,377 3.551,378 2.394,379 5.176,380 3.087,381 2.143,382 2.831,384 6.274,385 2.005,386 3.184,387 2.083,388 4.469,389 2.681,390 1.737,391 2.394,393 4.439,394 1.6,395 3.02,396 1.634,397 4.382,398 2.455,399 1.525,400 2.269,402 4.383,403 1.403,404 2.867,405 1.531,406 4.254,407 2.383,408 1.414,409 2.027,411 3.782,412 1.359,413 2.857,414 1.482,415 4.079,416 2.37,417 1.404,418 2.008,420 3.201,421 1.344,422 2.657,423 1.257,424 3.604,425 2.139,426 1.152,427 1.71,428 2.843,429 1.133,430 2.59,431 1.105,432 3.484,433 2.034,434 1.097,435 1.633,436 2.532,437 1.025,438 1.903,439 0.589,440 3.168,441 1.314,442 0.411,443 0.611,445 1.083,446 0.365,447 1.201,448 0.544,449 3.133,450 0.839,451 -0.086,452 -0.104,454 -0.233,455 -0.078,456 1.104,457 0.41,458 2.66,459 0.692,460 -0.229,461 -0.277,463 -0.6,464 -0.208,465 14.452,466 0.482,467 0.943,468 0.031,469 45.25,470 1.508,471 25.5,472 0.85,473 19.75,474 0.658,475 21.115,476 0.704,477 31.148,478 0.708,479 35.492,480 1.183,481 8.738,482 0.291,483 5.577,484 0.186,485 0.124,486 0.058,487 0.311,491 1,493 0.577,494 1.102,495 0.735,496 1.041,497 0.618,498 0.798,499 0.509,500 0.95,501 0.781,502 0.951,503 0.551,504 0.875,505 1.203,506 1.16,507 1.118,508 1.084,509 1.169,510 0.959,511 0.94,512 1.054,513 1.07,514 1.019,515 0.917,516 0.983,517 1.218,518 1.079,519 1.323,520 1.16,521 1.099,522 1.026,523 0.888,524 0.808,525 0.922,526 0.861,527 0.826,528 0.938,529 1.019,530 1.036,531 1.075,532 1.087,533 0.958,534 1.048,535 1.09,536 0.909,537 0.899,538 0.874,539 1.097,540 1.032,541 8,542 0.218,543 3.556,544 2.979,545 1.516,546 1.226,547 0.64,548 0.484,549 0.356,550 0.212,551 12170,552 45335,553 2.059,554 31.8,556 8,558 1,559 2,560 3,564 1.726,565 1.905,566 3.579,567 0.342,569 1,573 87.837,574 1.996,575 3.959,576 4.715,577 5.26,578 5.306,579 5.306,580 3.086,581 4.574,582 4.878,583 3.757,584 1634.49,585 8.498,586 22835,588 1,590 1,591 240.215,592 1.615,593 4.82,594 0.242,595 0.009,596 0.074,597 0.063,598 0.033,599 0.031,600 0.017,601 0.014,602 0.012,603 0.008,604 0.502,605 0.33,606 1,607 0.922,608 155.044,609 -0.005,610 -0.116,611 0.133,612 -0.051,613 -0.12,614 0.034,615 0.247,616 0.024,617 0.085,618 -0.004,619 0.163,620 -0.02,621 -0.236,622 -0.145,623 -0.082,624 -0.048,625 -0.198,626 -0.031,627 0.215,628 0.06,629 -0.041,630 -0.004,631 0.242,632 -0.072,633 -0.273,634 -0.104,635 -0.262,636 -0.122,637 -0.161,638 -0.072,639 -0.041,640 0.093,641 -0.033,642 0.04,643 -0.012,644 0.017,645 -0.156,646 -0.126,647 -0.125,648 -0.123,649 -0.096,650 -0.094,651 -0.14,652 0.008,653 0.021,654 0.055,655 -0.135,656 -0.02,657 5.101,658 5.871,659 0.7,660 30.276,661 1.036,662 1.122,663 2.543,664 6.468,665 0.737,666 3.526,667 3.892,668 4.127,669 4.419,670 4.585,671 4.673,672 4.836,673 4.949,674 5.017,675 5.13,676 7.206,677 0.719,678 443.52,679 3.526,680 5.094,681 5.943,682 6.843,683 7.708,684 8.611,685 9.484,686 10.388,687 11.265,688 12.168,689 11.4,694 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,730 1,731 44,733 25,734 2,735 33,737 47,738 19,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 14,782 9,783 2,784 11,785 2,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,846 1,848 30,852 1,855 2,863 1,869 1,870 6.8,873 3,877 15.75,878 8.326,879 6.375,880 2.38,881 4.262,882 1.543,883 1.029,884 5.459,885 12.113,886 3.871,887 4.557,888 5.108,889 5.749,890 6.264,891 6.597,892 7.092,893 7.515,894 7.816,895 8.245,896 1,897 47,898 11.459,900 5.4,901 8.192,902 20.31,904 16.766,905 2.692,906 80.75,909 1,910 141.253,911 157.376,912 84.772,914 69.458,915 14.96,916 37.085,917 120.291,918 210.711,919 99.732,920 8.825,921 18.011,922 81.617,923 152.695,924 28.306,925 17.605,926 160.76,928 141.253,929 205.063,930 84.418,931 37.085,933 156.213,934 69.458,937 43.184,938 95.118,939 72.569,940 31.278,941 156.213,942 154.23,943 157.376,945 5.807,946 141.253,947 57.886,948 93.683,949 34.416,950 134.775,951 141.253,952 169.19,953 157.376,955 0.593,956 0.331,957 0.183,958 0.094,959 24,960 11,961 0.106,962 5,963 1,964 1.095,965 4.101,966 269.275,967 0.095,968 21,969 145.207,970 1,973 1,974 20.33,975 8.056,976 4.479,977 1.533,978 169.19,979 13.452,980 12.481,983 1.308,984 0.11,986 34.416,987 467.82,988 47,991 -4.184,993 36.14,997 -0.211,999 45.574,1000 49.375,1001 0.366,1002 0.725,1003 0.864,1004 0.964,1005 0.972,1006 0.972,1007 5.115,1008 1.525,1009 5.974,1010 4.439,1011 4.575,1012 5.244,1013 1.953,1014 6.832,1015 4.445,1016 6.381,1017 1.414,1018 7.567,1019 4.383,1020 4.369,1021 5.33,1022 1.593,1023 7.997,1024 4.147,1025 7.739,1026 1.404,1027 9.27,1028 3.782,1029 6.256,1030 7.599,1031 2.904,1032 11.052,1033 5.979,1034 9.137,1035 1.152,1036 11.043,1037 3.201,1038 6.836,1039 8.48,1040 3.032,1041 13.066,1042 6.444,1043 10.568,1044 1.097,1045 12.862,1046 2.843,1047 8.266,1048 10.285,1049 4.037,1050 15.729,1051 7.822,1052 12.025,1053 0.411,1054 14.717,1055 2.532,1056 9.196,1057 11.523,1058 4.409,1059 18.075,1060 8.63,1061 13.503,1062 -0.086,1063 16.598,1064 1.083,1065 10.465,1066 13.156,1067 5.25,1068 20.639,1069 9.836,1070 3.435,1071 -0.229,1072 18.501,1073 -0.233,1074 11.55,1075 14.556,1076 5.75,1077 23.11,1078 10.803,1079 3.063,1080 12.878,1081 20.421,1082 -0.6,1083 12.767,1084 16.124,1085 6.501,1086 25.655,1087 11.943,1088 2.789,1089 9.8,1090 22.355,1091 4.744,1092 13.921,1093 17.597,1094 7.068,1095 28.174,1096 12.985,1097 2.443,1098 8.905,1099 24.301,1100 4.453,1101 15.126,1102 19.141,1103 7.771,1104 30.719,1105 14.102,1106 2.318,1107 7.393,1108 26.256,1109 3.809,1110 16.311,1111 20.648,1112 8.374,1113 33.257,1114 15.181,1115 2.143,1116 6.655,1117 28.219,1118 3.397,1119 17.518,1120 22.186,1121 9.051,1122 35.806,1123 16.293,1124 1.737,1125 6.274,1126 30.188,1127 3.114,1128 18.719,1129 23.71,1130 9.674,1131 38.353,1132 17.39,1133 11643,1134 22672,1135 21.671,1136 32.432,1137 50.499,1138 51.967,1139 51.512,1140 49.924,1141 49.861,1142 69.999,1143 4.112,1144 148.335,1145 46.766,1146 5.721,1147 6.714,1148 7.083,1149 5.473,1150 5.435,1151 7.744,1152 3.306,1153 20.614,1154 5.113,1155 16.272,1156 1.53,1157 1.575,1158 1.561,1159 1.513,1160 1.511,1161 2.121,1162 0.125,1163 4.495,1164 1.417,1165 4.111,1166 4.118,1167 4.738,1168 4.083,1169 8.201,1170 4.035,1171 4.042,1172 4.031,1173 4.322,1174 4.034,1175 7.716,1176 3.958,1177 3.792,1178 3.837,1179 3.805,1180 3.662,1181 7.43,1182 3.666,1183 3.604,1184 3.624,1185 3.702,1186 3.519,1187 6.999,1188 3.449,1189 3.549,1190 3.557,1191 3.489,1192 3.346,1193 5.037,1194 3.358,1195 3.225,1196 3.264,1197 3.332,1198 3.15,1199 4.904,1200 3.106,1201 2.901,1202 2.958,1203 2.893,1204 2.8,1205 4.613,1206 2.783,1207 2.894,1208 2.946,1209 2.827,1210 2.733,1211 4.302,1212 2.735,1213 0.148,1214 0.143,1215 0.224,1216 0.132,1217 0.104,1218 4.888,1219 0.144,1220 4.714,1221 0.058,1222 7.4,1223 0.39,1224 4.35,1225 0.094,1226 3.435,1227 4.744,1228 1.907,1229 12.878,1230 3.113,1231 1.968,1232 1.967,1233 2.01,1234 2.061,1235 1.163,1236 2.074,1237 1.932,1238 1.925,1239 1.966,1240 1.997,1241 1.139,1242 2.013,1243 1.667,1244 1.629,1245 1.746,1246 1.833,1247 0.765,1248 1.819,1249 1.525,1250 1.482,1251 1.724,1252 1.773,1253 0.738,1254 1.762,1255 1.414,1256 1.442,1257 1.256,1258 1.561,1259 0.578,1260 1.603,1261 1.195,1262 1.168,1263 1.218,1264 1.35,1265 0.431,1266 1.381,1267 0.905,1268 0.877,1269 1.118,1270 1.068,1271 0.162,1272 1.08,1273 0.861,1274 0.805,1275 1.074,1276 1.019,1277 0.13,1278 1.045,1279 4.205,1281 5.557,1282 2.398,1283 7.091,1284 4.727,1285 8.709,1286 6.823,1287 10.372,1289 1.405,1291 13.871,1296 4.845,1305 31.643,1306 87.837,1307 174.176,1308 207.46,1309 231.46,1310 233.46,1311 233.46,1312 67.583,1313 7.851,1314 113.94,1315 150.56,1316 23,1317 12.693,1318 4.7,1319 3.907,1320 47.182,1321 130,1322 130,1323 0.177,1324 200.67,1325 339.64,1326 481.395,1327 29505,1328 2.3,1329 21.303,1330 0.71,1331 0.57,1332 21.036,1333 17.09,1334 14.315,1335 0.434,1336 0.33,1337 8.663,1338 12.515,1339 8.286,1340 6.855,1341 15.133,1342 10.906,1343 13.914,1344 0.29,1345 0.185,1346 15.35,1347 8.866,1348 10.677,1349 0.175,1350 0.103,1351 12.111,1352 6.27,1353 9.521,1354 0.116,1355 0.057,1356 10.926,1357 4.677,1358 7.081,1359 0.073,1360 0.031,1361 8.559,1362 2.986,1363 0.281,1364 102.684,1365 0.215,1366 28.447,1367 0.477,1368 162,1369 616.64,1370 245.793,1371 610.94,1372 815.94,1373 562,1374 190,1375 551.168,1376 278.734,1377 602.015,1378 880.28,1379 564,1380 7.387}
{0 CHEMBL1773578,1 1.963,2 12.323,3 3.784,4 14.32,5 116.161,6 9.735,7 0.647,8 3.988,9 4.069,10 3.935,11 3.623,12 5.207,13 3.59,14 4.49,15 4.615,16 4.314,17 3.992,18 5.935,19 3.953,20 4.672,21 4.797,22 4.383,23 4.088,24 6.034,25 4.047,26 4.778,27 4.928,28 4.365,29 4.05,30 6.422,31 4.018,32 4.638,33 4.782,34 4.162,35 4.006,36 5.977,37 3.957,38 4.686,39 4.874,40 4.086,41 3.977,42 6.016,43 3.909,44 4.571,45 4.75,46 4.001,47 3.886,48 5.848,49 3.815,50 4.522,51 4.726,52 3.926,53 3.798,54 5.758,55 3.701,56 0.168,57 0.826,58 7.475,59 4.455,60 22.146,61 3.994,62 0.547,63 1.324,64 13.851,65 7.112,66 55.193,67 7.098,68 0.576,69 1.604,70 25.155,71 9.926,72 78.566,73 8.089,74 1.2,75 1.662,76 25.155,77 9.646,78 173.742,79 7.882,80 0.557,81 1.444,82 22.66,83 9.153,84 65.207,85 8.09,86 0.745,87 1.524,88 22.344,89 9.282,90 90.27,91 9.386,92 0.526,93 1.287,94 21.435,95 8.571,96 59.838,97 8.841,98 0.581,99 1.201,100 23.474,101 8.9,102 78.9,103 9.094,104 39,105 50,106 0.327,107 0.661,108 0.793,109 0.878,110 0.885,111 0.885,112 3.472,113 0.994,114 -4,115 -3.95,116 -3.74,119 42.6,120 1,124 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 6,174 6,175 6,178 2,180 2,183 6,187 7,195 6,198 5,199 13,204 2,207 3,212 10,217 2,220 1,223 1,224 13,232 2,237 10,240 1,242 1,245 4,249 2,250 2,258 6,262 1,263 4,266 2,271 8,275 1564,276 20.358,277 20.358,278 20.358,279 20.358,280 20.358,281 17.361,282 16.714,283 11.732,284 20.979,285 16.767,286 16.767,287 16.767,288 16.767,289 16.767,290 12.148,291 22.993,292 5.562,293 17.895,294 3.592,295 1.591,296 0.798,297 0.287,298 0.245,299 0.245,300 4.161,304 1,305 1,306 819,307 4.123,310 75.108,311 295.398,314 130.809,318 1.946,319 51.707,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 69,331 382,332 4.971,333 4.753,334 7.741,335 4.479,336 3.56,337 4.804,338 1.907,339 13.927,340 3.246,341 4.516,342 3.536,343 6.351,344 4.003,345 3.063,346 4.453,347 0.4,348 9.812,349 2.903,350 4.193,351 3.076,352 6.184,353 3.735,354 2.808,355 3.825,356 0.149,357 9.037,358 2.59,359 3.91,360 2.971,361 6.009,362 3.497,363 2.554,364 3.436,366 8.255,367 2.396,368 3.707,369 2.766,370 5.4,371 3.291,372 2.322,373 3.13,375 6.692,376 2.249,377 3.573,378 2.54,379 5.251,380 3.104,381 2.159,382 2.846,384 6.461,385 2.023,386 3.195,387 2.111,388 4.532,389 2.695,390 1.749,391 2.404,393 4.501,394 1.618,395 3.026,396 1.706,397 4.406,398 2.475,399 1.537,400 2.28,402 4.384,403 1.431,404 2.912,405 1.573,406 4.358,407 2.42,408 1.469,409 2.074,411 3.931,412 1.379,413 2.863,414 1.519,415 4.184,416 2.381,417 1.414,418 2.019,420 3.254,421 1.353,422 2.663,423 1.281,424 3.68,425 2.154,426 1.174,427 1.722,428 2.903,429 1.146,430 2.593,431 1.108,432 3.555,433 2.037,434 1.098,435 1.635,436 2.56,437 1.028,438 2.007,439 0.849,440 3.448,441 1.615,442 0.68,443 0.856,445 1.735,446 0.633,447 1.902,448 0.589,449 3.162,450 1.313,451 0.41,452 0.61,454 1.079,455 0.364,456 1.106,457 0.441,458 2.751,459 0.692,460 -0.229,461 -0.277,463 -0.521,464 -0.199,465 14.952,466 0.482,467 1.006,468 0.032,469 46,470 1.484,471 25.5,472 0.823,473 20.5,474 0.661,475 23.244,476 0.75,477 32.448,478 0.69,479 37.523,480 1.21,481 8.906,482 0.287,483 5.846,484 0.189,485 0.153,486 0.056,487 0.328,491 1,493 0.556,494 1.183,495 0.728,496 1.089,497 0.606,498 0.853,499 0.544,500 0.876,501 0.707,502 0.818,503 0.566,504 0.756,505 1.153,506 1.285,507 1.267,508 1.294,509 1.102,510 1.009,511 1.217,512 0.934,513 1.107,514 0.882,515 1.222,516 0.908,517 1.102,518 1.15,519 1.247,520 1.209,521 0.991,522 1.116,523 1.011,524 0.894,525 0.944,526 0.877,527 0.95,528 1.018,529 0.866,530 0.988,531 0.984,532 1.054,533 0.826,534 1.074,535 0.945,536 0.835,537 0.765,538 0.784,539 0.965,540 0.952,541 8,542 0.218,543 4.444,544 3.229,545 1.796,546 1.427,547 0.721,548 0.53,549 0.395,550 0.257,551 12837,552 46592,553 2.038,554 34,556 11,558 1,559 1,560 3,564 1.736,565 1.869,566 3.584,567 -0.233,569 1,573 92.263,574 1.963,575 3.963,576 4.757,577 5.267,578 5.31,579 5.31,580 3.087,581 4.696,582 4.925,583 3.747,584 1742.18,585 8.599,586 24584.3,591 261.066,592 1.663,593 4.859,594 0.235,595 0.008,596 0.089,597 0.062,598 0.036,599 0.032,600 0.018,601 0.014,602 0.012,603 0.009,604 0.515,605 0.33,606 1,607 0.938,608 161.114,609 0.016,610 -0.181,611 0.147,612 -0.085,613 -0.112,614 0.001,615 0.232,616 0.115,617 0.181,618 0.134,619 0.143,620 0.12,621 -0.193,622 -0.232,623 -0.137,624 -0.173,625 -0.13,626 -0.084,627 0.053,628 0.158,629 -0.112,630 0.092,631 0.094,632 -0.029,633 -0.215,634 -0.178,635 -0.264,636 -0.206,637 -0.115,638 -0.184,639 -0.07,640 0.103,641 -0.068,642 0.022,643 -0.052,644 -0.041,645 -0.072,646 -0.122,647 -0.045,648 -0.103,649 -0.047,650 -0.064,651 -0.057,652 0.04,653 0.164,654 0.145,655 -0.076,656 0.104,657 5.096,658 6.057,659 0.677,660 31.005,661 1.031,662 1.123,663 2.769,664 7.665,665 0.728,666 3.555,667 3.932,668 4.205,669 4.466,670 4.644,671 4.727,672 4.89,673 4.997,674 5.069,675 5.187,676 7.159,677 0.706,678 457.55,679 3.555,680 5.13,681 5.994,682 6.897,683 7.779,684 8.685,685 9.574,686 10.481,687 11.374,688 12.282,689 10.6,695 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,730 1,731 47,733 25,734 2,735 34,737 50,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 3,769 1,771 3,775 1,778 1,779 1,781 16,782 9,783 1,784 11,785 2,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,846 1,848 31,852 1,855 1,859 1,863 1,869 1,870 6.4,873 3,877 16.583,878 9.276,879 6.611,880 2.559,881 4.234,882 1.536,883 1.016,884 5.696,885 12.13,886 3.892,887 4.577,888 5.155,889 5.773,890 6.292,891 6.628,892 7.125,893 7.544,894 7.85,895 8.287,896 1,897 52,898 11.855,900 5.578,901 8.153,902 21.092,904 17.402,905 2.653,906 82.25,909 1,910 176.567,911 165.773,912 69.886,914 69.458,915 14.96,916 37.085,917 128.687,918 246.024,919 84.846,920 17.222,921 18.011,922 81.617,923 136.29,924 29.825,925 17.605,926 196.073,928 176.567,929 198.573,930 84.418,931 37.085,933 191.527,934 69.458,937 43.184,938 105.033,939 56.164,940 31.278,941 191.527,942 139.344,943 165.773,945 5.807,946 176.567,947 57.886,948 103.598,949 18.011,950 134.775,951 176.567,952 154.304,953 165.773,955 0.597,956 0.346,957 0.185,958 0.095,959 25,960 12,961 0.1,962 5,963 1,964 1.095,965 4.104,966 286.025,967 0.095,968 21,969 149.58,970 1,973 1,974 21.29,975 8.293,976 4.271,977 1.541,978 154.304,979 13.626,980 12.734,983 1.314,984 0.282,986 18.011,987 496.643,988 48,991 -4.179,993 36.909,997 -0.209,999 48.458,1000 52.791,1001 0.353,1002 0.714,1003 0.856,1004 0.948,1005 0.956,1006 0.956,1007 5.145,1008 1.537,1009 6.033,1010 4.501,1011 4.615,1012 5.265,1013 1.997,1014 6.921,1015 4.485,1016 6.412,1017 1.469,1018 7.652,1019 4.384,1020 4.443,1021 5.359,1022 1.593,1023 8.16,1024 4.221,1025 7.775,1026 1.414,1027 9.387,1028 3.931,1029 6.323,1030 7.623,1031 2.907,1032 11.264,1033 6.045,1034 9.181,1035 1.174,1036 11.195,1037 3.254,1038 6.957,1039 8.523,1040 3.032,1041 13.376,1042 6.569,1043 10.622,1044 1.098,1045 13.053,1046 2.903,1047 8.386,1048 10.324,1049 4.038,1050 16.111,1051 7.942,1052 12.09,1053 0.68,1054 14.95,1055 2.56,1056 9.369,1057 11.58,1058 4.409,1059 18.552,1060 8.809,1061 13.581,1062 0.41,1063 16.875,1064 1.735,1065 10.652,1066 13.214,1067 5.25,1068 21.201,1069 10.025,1070 3.56,1071 -0.229,1072 18.825,1073 1.079,1074 11.784,1075 14.63,1076 5.75,1077 23.763,1078 11.046,1079 3.063,1080 13.927,1081 20.792,1082 -0.521,1083 13.028,1084 16.203,1085 6.501,1086 26.395,1087 12.21,1088 2.808,1089 9.812,1090 22.775,1091 4.804,1092 14.225,1093 17.69,1094 7.068,1095 29.001,1096 13.302,1097 2.554,1098 9.037,1099 24.771,1100 4.453,1101 15.464,1102 19.243,1103 7.771,1104 31.631,1105 14.452,1106 2.322,1107 8.255,1108 26.776,1109 3.825,1110 16.691,1111 20.764,1112 8.374,1113 34.254,1114 15.578,1115 2.159,1116 6.692,1117 28.789,1118 3.436,1119 17.935,1120 22.312,1121 9.051,1122 36.885,1123 16.729,1124 1.749,1125 6.461,1126 30.809,1127 3.13,1128 19.178,1129 23.848,1130 9.674,1131 39.514,1132 17.873,1133 12334,1134 23692,1135 22.076,1136 34.193,1137 52.532,1138 53.853,1139 54.17,1140 52.049,1141 51.995,1142 72.188,1143 4.912,1144 157.061,1145 48.722,1146 5.807,1147 6.753,1148 7.425,1149 5.601,1150 5.56,1151 7.804,1152 3.306,1153 22.371,1154 5.246,1155 17.931,1156 1.545,1157 1.584,1158 1.593,1159 1.531,1160 1.529,1161 2.123,1162 0.144,1163 4.619,1164 1.433,1165 4.119,1166 4.123,1167 4.744,1168 4.088,1169 8.201,1170 4.037,1171 4.045,1172 4.037,1173 4.322,1174 4.037,1175 7.714,1176 3.964,1177 3.798,1178 3.843,1179 3.809,1180 3.669,1181 7.43,1182 3.673,1183 3.619,1184 3.638,1185 3.704,1186 3.53,1187 6.999,1188 3.47,1189 3.551,1190 3.576,1191 3.491,1192 3.346,1193 5.032,1194 3.358,1195 3.229,1196 3.266,1197 3.335,1198 3.151,1199 4.898,1200 3.108,1201 3.108,1202 3.178,1203 2.975,1204 2.906,1205 4.613,1206 2.88,1207 2.899,1208 2.957,1209 2.857,1210 2.788,1211 4.302,1212 2.771,1213 0.146,1214 0.14,1215 0.228,1216 0.132,1217 0.105,1218 4.971,1219 0.141,1220 4.753,1221 0.056,1222 7.741,1223 0.41,1224 4.479,1225 0.095,1226 3.56,1227 4.804,1228 1.907,1229 13.927,1230 3.246,1231 1.972,1232 1.973,1233 2.011,1234 2.068,1235 1.175,1236 2.082,1237 1.934,1238 1.925,1239 1.967,1240 1.998,1241 1.149,1242 2.013,1243 1.681,1244 1.643,1245 1.764,1246 1.844,1247 0.829,1248 1.836,1249 1.525,1250 1.482,1251 1.726,1252 1.775,1253 0.739,1254 1.763,1255 1.459,1256 1.464,1257 1.595,1258 1.623,1259 0.687,1260 1.652,1261 1.195,1262 1.168,1263 1.25,1264 1.35,1265 0.432,1266 1.381,1267 1.076,1268 1.013,1269 1.145,1270 1.304,1271 0.423,1272 1.361,1273 0.898,1274 0.865,1275 1.074,1276 1.068,1277 0.154,1278 1.079,1279 4.234,1281 5.595,1282 2.398,1283 7.146,1284 4.727,1285 8.783,1286 6.823,1287 10.466,1289 2.679,1291 14.057,1296 2.653,1300 0.842,1305 33.17,1306 92.263,1307 186.272,1308 223.556,1309 247.556,1310 249.556,1311 249.556,1312 72.87,1313 7.896,1314 105.15,1315 141.77,1316 23,1317 12.801,1318 4.7,1319 3.907,1320 49.525,1321 134,1322 138,1323 0.182,1324 210.263,1325 356.94,1326 504.801,1327 30655,1328 2.1,1329 22.173,1330 0.715,1331 0.582,1332 21.906,1333 18.037,1334 14.752,1335 0.434,1336 0.331,1337 9.045,1338 12.885,1339 8.612,1340 7.144,1341 15.538,1342 11.262,1343 14.225,1344 0.285,1345 0.19,1346 15.703,1347 9.496,1348 11.627,1349 0.176,1350 0.107,1351 13.327,1352 7.072,1353 9.718,1354 0.113,1355 0.058,1356 11.159,1357 4.972,1358 7.35,1359 0.071,1360 0.031,1361 8.728,1362 3.214,1363 0.287,1364 105.204,1365 0.213,1366 29.08,1367 0.495,1368 168,1369 627.952,1370 255.494,1371 620.833,1372 833.1,1373 572,1374 200,1375 565.451,1376 292.513,1377 618.219,1378 908.39,1379 579,1380 7.187}
{0 CHEMBL1773579,1 1.996,2 12.367,3 3.431,4 11.77,5 111.926,6 10.08,7 0.667,8 3.933,9 4.01,10 3.909,11 3.581,12 5.171,13 3.553,14 4.42,15 4.526,16 4.264,17 3.939,18 5.94,19 3.906,20 4.611,21 4.749,22 4.245,23 4.003,24 5.98,25 3.955,26 4.604,27 4.752,28 4.271,29 3.939,30 6.066,31 3.892,32 4.528,33 4.673,34 4.128,35 3.855,36 6.125,37 3.822,38 4.468,39 4.637,40 3.974,41 3.806,42 5.79,43 3.759,44 4.383,45 4.533,46 3.957,47 3.74,48 5.805,49 3.693,50 4.353,51 4.529,52 3.841,53 3.668,54 5.661,55 3.594,56 0.183,57 0.784,58 6.322,59 4.095,60 25.468,61 3.37,62 0.511,63 1.244,64 11.343,65 6.628,66 58.952,67 6.275,68 0.669,69 1.456,70 20.525,71 8.736,72 92.221,73 6.835,74 0.746,75 1.409,76 20.108,77 8.675,78 98.071,79 7.281,80 0.798,81 1.325,82 21.891,83 8.242,84 119.179,85 6.888,86 0.568,87 1.183,88 16.525,89 7.182,90 72.316,91 6.438,92 0.543,93 1.141,94 16.005,95 6.751,96 64.174,97 6.164,98 0.513,99 1.031,100 18.785,101 7.357,102 70.739,103 6.769,104 28,105 48,106 0.337,107 0.667,108 0.803,109 0.895,110 0.895,111 0.895,112 3.44,113 0.991,114 -3.77,115 -3.74,116 -3.55,119 43.2,120 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 2,175 6,178 6,180 2,183 7,187 8,192 2,195 6,198 5,199 7,204 5,207 3,212 9,217 5,220 1,223 1,224 10,229 1,232 2,237 9,240 1,242 2,245 6,249 1,250 2,253 1,258 6,262 1,263 4,266 1,267 1,271 7,275 1490,276 19.728,277 19.728,278 19.728,279 19.728,280 19.728,281 16.712,282 14.504,283 11.483,284 20.355,285 16.348,286 16.348,287 16.348,288 16.348,289 16.348,290 11.712,291 14.709,292 5.522,293 17.461,294 3.463,295 1.501,296 0.699,297 0.154,298 0.154,299 0.154,300 4.132,304 1,305 1,306 798,307 3.873,310 72.441,311 284.955,314 126.458,318 2.033,319 48.391,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 67,331 371,332 4.859,333 4.687,334 7.311,335 4.314,336 3.397,337 4.711,338 1.907,339 12.527,340 3.087,341 4.515,342 3.536,343 6.342,344 4.002,345 3.062,346 4.453,347 0.149,348 9.8,349 2.903,350 4.174,351 3.059,352 6.073,353 3.718,354 2.785,355 3.807,357 8.899,358 2.581,359 3.846,360 2.873,361 5.407,362 3.38,363 2.432,364 3.398,366 7.007,367 2.298,368 3.71,369 2.804,370 5.254,371 3.298,372 2.336,373 3.121,375 6.594,376 2.248,377 3.558,378 2.417,379 5.117,380 3.121,381 2.179,382 2.834,384 6.26,385 2.031,386 3.186,387 2.088,388 4.564,389 2.686,390 1.742,391 2.396,393 4.496,394 1.606,395 3.025,396 1.72,397 4.446,398 2.506,399 1.55,400 2.273,402 4.384,403 1.466,404 2.994,405 1.527,406 4.377,407 2.448,408 1.513,409 2.181,411 4.255,412 1.396,413 2.851,414 1.444,415 4.211,416 2.347,417 1.377,418 1.997,420 3.722,421 1.327,422 2.612,423 1.189,424 3.499,425 2.105,426 1.115,427 1.657,428 2.553,429 1.101,430 2.59,431 1.105,432 3.475,433 2.034,434 1.094,435 1.631,436 2.514,437 1.024,438 1.903,439 0.589,440 3.169,441 1.314,442 0.411,443 0.611,445 1.083,446 0.365,447 1.2,448 0.411,449 3.138,450 0.82,451 -0.12,452 -0.15,454 -0.344,455 -0.113,456 1.104,457 0.251,458 2.657,459 0.692,460 -0.23,461 -0.277,463 -0.634,464 -0.208,465 14.452,466 0.482,467 0.96,468 0.032,469 45.25,470 1.508,471 25.5,472 0.85,473 19.75,474 0.658,475 21.015,476 0.7,477 31.148,478 0.708,479 35.341,480 1.178,481 8.722,482 0.291,483 5.575,484 0.186,485 0.124,486 0.058,487 0.311,491 1,493 0.577,494 1.102,495 0.735,496 1.041,497 0.618,498 0.798,499 0.509,500 0.95,501 0.781,502 0.951,503 0.54,504 0.875,505 1.252,506 1.104,507 1.224,508 1.077,509 1.162,510 0.993,511 0.971,512 1.027,513 1.017,514 1.023,515 1.01,516 0.979,517 0.95,518 1.052,519 1.237,520 1.159,521 0.836,522 1.008,523 1.044,524 0.891,525 0.981,526 0.862,527 0.925,528 0.949,529 0.874,530 0.895,531 1.058,532 1.082,533 0.886,534 1.07,535 0.972,536 0.868,537 0.86,538 0.874,539 0.985,540 1.023,541 8.5,542 0.209,543 3.333,544 2.604,545 1.756,546 1.115,547 0.681,548 0.492,549 0.307,550 0.248,551 12274,552 46119,553 2.059,554 31.8,556 8,558 1,559 2,560 3,564 1.726,565 1.905,566 3.601,567 0.342,569 1,573 87.837,574 1.996,575 3.959,576 4.76,577 5.306,578 5.306,579 5.306,580 3.086,581 4.574,582 4.877,583 3.773,584 1641.36,585 8.497,586 23025.9,588 1,590 1,591 240.215,592 1.615,593 4.82,594 0.258,595 0.008,596 0.069,597 0.057,598 0.04,599 0.027,600 0.018,601 0.014,602 0.01,603 0.009,604 0.51,605 0.33,606 1,607 0.922,608 155.286,609 -0.005,610 -0.116,611 0.133,612 -0.051,613 -0.121,614 0.034,615 0.247,616 0.024,617 0.085,618 -0.004,619 0.173,620 -0.02,621 -0.286,622 -0.088,623 -0.191,624 -0.041,625 -0.192,626 -0.065,627 -0.001,628 -0.067,629 0.013,630 -0.015,631 -0.037,632 -0.038,633 0.068,634 -0.021,635 -0.174,636 -0.119,637 0.174,638 -0.063,639 -0.201,640 0.008,641 -0.093,642 0.039,643 -0.113,644 0.006,645 -0.008,646 0.019,647 -0.108,648 -0.117,649 -0.023,650 -0.116,651 -0.096,652 -0.013,653 0.061,654 0.053,655 -0.097,656 0.002,657 4.957,658 5.468,659 0.7,660 30.844,661 1.036,662 1.122,663 2.543,664 6.468,665 0.737,666 3.526,667 3.892,668 4.111,669 4.394,670 4.605,671 4.673,672 4.852,673 4.927,674 5.017,675 5.124,676 7.274,677 0.719,678 443.52,679 3.526,680 5.094,681 5.938,682 6.834,683 7.698,684 8.595,685 9.468,686 10.365,687 11.243,688 12.139,689 11.4,694 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,730 1,731 44,733 25,734 2,735 33,737 47,738 19,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 14,782 9,783 2,784 11,785 2,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,846 1,848 30,852 1,855 2,863 1,869 1,870 6.8,873 3,877 15.75,878 8.326,879 6.347,880 2.373,881 4.233,882 1.539,883 1.029,884 5.459,885 12.084,886 3.871,887 4.557,888 5.099,889 5.732,890 6.282,891 6.601,892 7.106,893 7.495,894 7.817,895 8.243,896 1,897 46,898 11.4,900 5.315,901 8.192,902 20.31,904 16.761,905 2.692,906 80.75,909 1,910 141.253,911 157.376,912 84.772,914 69.458,915 14.96,916 37.085,917 120.291,918 210.711,919 99.732,920 8.825,921 18.011,922 81.617,923 152.695,924 28.306,925 17.605,926 160.76,928 141.253,929 205.063,930 84.418,931 37.085,933 156.213,934 69.458,937 43.184,938 95.118,939 72.569,940 31.278,941 156.213,942 154.23,943 157.376,945 5.807,946 141.253,947 57.886,948 93.683,949 34.416,950 134.775,951 141.253,952 169.19,953 157.376,955 0.593,956 0.325,957 0.177,958 0.098,959 24,960 11,961 0.106,962 5,963 1,964 1.095,965 4.118,966 268.085,967 0.095,968 21,969 145.207,970 1,973 1,974 20.33,975 8.056,976 4.638,977 1.547,978 169.19,979 13.117,980 12.528,983 1.314,984 0.658,986 34.416,987 467.82,988 47,991 -4.041,993 36.15,997 -0.208,999 45.574,1000 49.375,1001 0.366,1002 0.725,1003 0.872,1004 0.972,1005 0.972,1006 0.972,1007 5.115,1008 1.55,1009 5.969,1010 4.496,1011 4.575,1012 5.244,1013 1.953,1014 6.815,1015 4.445,1016 6.381,1017 1.513,1018 7.554,1019 4.384,1020 4.369,1021 5.33,1022 1.593,1023 7.953,1024 4.147,1025 7.737,1026 1.377,1027 9.248,1028 4.255,1029 6.248,1030 7.594,1031 2.904,1032 10.985,1033 5.974,1034 9.132,1035 1.115,1036 11.009,1037 3.722,1038 6.815,1039 8.466,1040 3.032,1041 12.968,1042 6.428,1043 10.559,1044 1.094,1045 12.816,1046 2.553,1047 8.241,1048 10.271,1049 4.037,1050 15.604,1051 7.806,1052 12.012,1053 0.411,1054 14.658,1055 2.514,1056 9.154,1057 11.498,1058 4.409,1059 17.918,1060 8.601,1061 13.484,1062 -0.12,1063 16.527,1064 1.083,1065 10.417,1066 13.129,1067 5.25,1068 20.451,1069 9.804,1070 3.397,1071 -0.23,1072 18.418,1073 -0.344,1074 11.486,1075 14.52,1076 5.75,1077 22.891,1078 10.76,1079 3.062,1080 12.527,1081 20.325,1082 -0.634,1083 12.694,1084 16.084,1085 6.501,1086 25.404,1087 11.896,1088 2.785,1089 9.8,1090 22.247,1091 4.711,1092 13.833,1093 17.549,1094 7.068,1095 27.892,1096 12.928,1097 2.432,1098 8.899,1099 24.179,1100 4.453,1101 15.028,1102 19.089,1103 7.771,1104 30.406,1105 14.039,1106 2.336,1107 7.007,1108 26.122,1109 3.807,1110 16.2,1111 20.589,1112 8.374,1113 32.914,1114 15.108,1115 2.179,1116 6.594,1117 28.071,1118 3.398,1119 17.394,1120 22.121,1121 9.051,1122 35.432,1123 16.212,1124 1.742,1125 6.26,1126 30.028,1127 3.121,1128 18.583,1129 23.638,1130 9.674,1131 37.949,1132 17.301,1133 11740,1134 22953,1135 21.671,1136 32.432,1137 50.614,1138 51.481,1139 51.313,1140 50.041,1141 49.988,1142 70.14,1143 4.112,1144 148.184,1145 46.864,1146 5.689,1147 6.687,1148 6.861,1149 5.436,1150 5.397,1151 7.711,1152 3.306,1153 19.927,1154 5.087,1155 16.38,1156 1.534,1157 1.56,1158 1.555,1159 1.516,1160 1.515,1161 2.125,1162 0.125,1163 4.49,1164 1.42,1165 4.11,1166 4.117,1167 4.736,1168 4.083,1169 8.201,1170 4.034,1171 4.04,1172 4.03,1173 4.322,1174 4.034,1175 7.717,1176 3.957,1177 3.793,1178 3.837,1179 3.805,1180 3.662,1181 7.43,1182 3.666,1183 3.609,1184 3.625,1185 3.714,1186 3.518,1187 6.999,1188 3.452,1189 3.551,1190 3.56,1191 3.489,1192 3.346,1193 5.037,1194 3.358,1195 3.225,1196 3.265,1197 3.332,1198 3.15,1199 4.904,1200 3.106,1201 2.899,1202 2.957,1203 2.893,1204 2.8,1205 4.592,1206 2.783,1207 2.893,1208 2.946,1209 2.811,1210 2.733,1211 4.302,1212 2.734,1213 0.147,1214 0.142,1215 0.222,1216 0.131,1217 0.103,1218 4.859,1219 0.143,1220 4.687,1221 0.058,1222 7.311,1223 0.38,1224 4.314,1225 0.094,1226 3.397,1227 4.711,1228 1.907,1229 12.527,1230 3.087,1231 1.968,1232 1.968,1233 2.01,1234 2.061,1235 1.164,1236 2.075,1237 1.933,1238 1.925,1239 1.963,1240 1.997,1241 1.142,1242 2.013,1243 1.667,1244 1.629,1245 1.746,1246 1.833,1247 0.763,1248 1.818,1249 1.525,1250 1.482,1251 1.724,1252 1.773,1253 0.738,1254 1.762,1255 1.409,1256 1.439,1257 1.255,1258 1.562,1259 0.562,1260 1.598,1261 1.195,1262 1.168,1263 1.217,1264 1.35,1265 0.431,1266 1.38,1267 0.905,1268 0.877,1269 1.103,1270 1.068,1271 0.147,1272 1.078,1273 0.859,1274 0.804,1275 1.074,1276 1.019,1277 0.13,1278 1.045,1279 4.205,1281 5.557,1282 2.398,1283 7.086,1284 4.727,1285 8.696,1286 6.823,1287 10.349,1289 1.408,1291 13.37,1296 4.908,1305 31.643,1306 87.837,1307 174.176,1308 209.46,1309 233.46,1310 233.46,1311 233.46,1312 66.953,1313 7.851,1314 113.94,1315 150.56,1316 23,1317 12.667,1318 4.7,1319 3.907,1320 47.191,1321 131,1322 130,1323 0.175,1324 200.67,1325 339.64,1326 481.395,1327 29505,1328 2.3,1329 21.303,1330 0.71,1331 0.57,1332 21.036,1333 17.09,1334 14.298,1335 0.433,1336 0.33,1337 8.657,1338 12.471,1339 8.278,1340 6.846,1341 15.133,1342 10.9,1343 14.014,1344 0.292,1345 0.186,1346 15.35,1347 8.924,1348 10.604,1349 0.177,1350 0.104,1351 12.111,1352 6.214,1353 9.202,1354 0.115,1355 0.058,1356 10.926,1357 4.603,1358 7.314,1359 0.074,1360 0.031,1361 8.559,1362 3.043,1363 0.279,1364 102.583,1365 0.215,1366 28.497,1367 0.471,1368 162,1369 616.64,1370 245.793,1371 611.06,1372 815.3,1373 562,1374 189,1375 550.168,1376 274.51,1377 601.101,1378 876.32,1379 563,1380 7.076}
{0 CHEMBL1773580,1 1.996,2 12.9,3 3.431,4 11.77,5 111.926,6 10.08,7 0.667,8 3.933,9 4.01,10 3.909,11 3.581,12 5.171,13 3.553,14 4.42,15 4.526,16 4.264,17 3.939,18 5.939,19 3.906,20 4.611,21 4.749,22 4.245,23 4.003,24 5.986,25 3.955,26 4.603,27 4.753,28 4.216,29 3.94,30 6.075,31 3.885,32 4.507,33 4.66,34 4.098,35 3.855,36 5.818,37 3.811,38 4.479,39 4.642,40 4.048,41 3.806,42 6.052,43 3.767,44 4.381,45 4.531,46 3.92,47 3.74,48 5.73,49 3.69,50 4.355,51 4.532,52 3.852,53 3.669,54 5.718,55 3.589,56 0.183,57 0.784,58 6.322,59 4.095,60 25.468,61 3.37,62 0.511,63 1.244,64 11.343,65 6.628,66 58.841,67 6.275,68 0.669,69 1.456,70 20.525,71 8.736,72 90.74,73 6.835,74 0.763,75 1.37,76 20.122,77 8.64,78 95.925,79 7.285,80 0.551,81 1.248,82 21.894,83 8.235,84 75.252,85 6.901,86 0.756,87 1.229,88 16.52,89 7.185,90 111.719,91 6.702,92 0.504,93 1.097,94 16.002,95 6.776,96 64.276,97 5.911,98 0.57,99 1.062,100 18.781,101 7.339,102 75.297,103 6.955,104 28,105 48,106 0.337,107 0.667,108 0.787,109 0.864,110 0.864,111 0.864,112 3.44,113 0.991,114 -3.77,115 -3.74,116 -3.55,119 43.2,120 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 2,175 6,178 6,180 2,183 6,187 8,192 2,195 7,198 5,199 9,204 6,207 3,212 7,217 4,220 1,223 1,224 12,229 1,232 2,237 7,240 1,242 2,245 6,249 1,250 2,253 1,258 8,262 1,263 4,266 1,267 1,271 7,275 1506,276 19.728,277 19.728,278 19.728,279 19.728,280 19.728,281 16.712,282 14.504,283 11.444,284 20.355,285 16.331,286 16.331,287 16.331,288 16.331,289 16.331,290 11.706,291 14.235,292 5.499,293 17.451,294 3.463,295 1.501,296 0.79,297 0.335,298 0.335,299 0.335,300 4.132,304 1,305 1,306 834,307 3.873,310 72.885,311 286.489,314 127.271,318 1.98,319 47.84,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 67,331 387,332 4.856,333 4.686,334 7.308,335 4.31,336 3.393,337 4.707,338 1.907,339 12.509,340 3.083,341 4.515,342 3.536,343 6.342,344 4.002,345 3.062,346 4.453,347 0.149,348 9.8,349 2.902,350 4.173,351 3.059,352 6.072,353 3.718,354 2.785,355 3.807,357 8.898,358 2.581,359 3.843,360 2.878,361 5.384,362 3.377,363 2.428,364 3.398,366 6.94,367 2.295,368 3.713,369 2.808,370 5.25,371 3.301,372 2.343,373 3.124,375 6.555,376 2.249,377 3.56,378 2.422,379 5.085,380 3.132,381 2.189,382 2.835,384 6.195,385 2.04,386 3.188,387 2.09,388 4.66,389 2.69,390 1.744,391 2.399,393 4.674,394 1.614,395 3.07,396 1.743,397 4.454,398 2.554,399 1.592,400 2.295,402 4.391,403 1.511,404 3.016,405 1.526,406 4.378,407 2.449,408 1.519,409 2.248,411 4.374,412 1.397,413 2.85,414 1.434,415 4.215,416 2.344,417 1.374,418 1.996,420 3.734,421 1.325,422 2.591,423 1.108,424 3.488,425 2.035,426 1.099,427 1.634,428 2.537,429 1.025,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 0.647,440 3.183,441 1.314,442 0.411,443 0.611,445 1.083,446 0.365,447 1.202,448 0.589,449 3.154,450 0.84,451 -0.086,452 -0.104,454 -0.23,455 -0.078,456 1.119,457 0.41,458 2.662,459 0.692,460 -0.229,461 -0.277,463 -0.587,464 -0.207,465 14.452,466 0.482,467 0.96,468 0.032,469 45.25,470 1.508,471 25.5,472 0.85,473 19.75,474 0.658,475 20.941,476 0.698,477 31.148,478 0.708,479 35.228,480 1.174,481 8.722,482 0.291,483 5.575,484 0.186,485 0.124,486 0.058,487 0.311,491 1,493 0.577,494 1.102,495 0.735,496 1.041,497 0.618,498 0.798,499 0.509,500 0.95,501 0.781,502 0.951,503 0.541,504 0.875,505 1.252,506 1.104,507 1.224,508 1.077,509 1.153,510 0.993,511 1.021,512 0.971,513 1.125,514 1.016,515 1.003,516 1.014,517 0.984,518 1.023,519 1.18,520 1.164,521 0.937,522 1.003,523 0.766,524 0.863,525 0.891,526 0.861,527 0.653,528 0.929,529 1.045,530 0.986,531 1.122,532 1.083,533 0.994,534 1.082,535 0.826,536 0.725,537 0.843,538 0.869,539 0.912,540 1.045,541 8.5,542 0.238,543 3.556,544 2.479,545 1.578,546 1.282,547 0.638,548 0.523,549 0.327,550 0.233,551 12378,552 46903,553 2.059,554 31.8,556 8,558 1,559 2,560 3,564 1.726,565 1.905,566 3.642,567 0.342,569 1,573 87.837,574 1.996,575 3.959,576 4.67,577 5.124,578 5.124,579 5.124,580 3.111,581 4.44,582 4.876,583 3.797,584 1651.73,585 8.494,586 23213.1,588 1,590 1,591 240.215,592 1.615,593 4.82,594 0.258,595 0.01,596 0.074,597 0.054,598 0.037,599 0.032,600 0.016,601 0.015,602 0.011,603 0.008,604 0.515,605 0.33,606 1,607 0.922,608 155.518,609 -0.005,610 -0.116,611 0.133,612 -0.051,613 -0.121,614 0.034,615 0.247,616 0.024,617 0.085,618 -0.004,619 0.173,620 -0.02,621 -0.286,622 -0.088,623 -0.191,624 -0.041,625 -0.183,626 -0.065,627 -0.051,628 -0.009,629 -0.097,630 -0.008,631 -0.031,632 -0.073,633 -0.166,634 -0.159,635 -0.115,636 -0.131,637 -0.128,638 -0.026,639 0.153,640 0.094,641 -0.001,642 0.043,643 0.234,644 0.015,645 -0.183,646 -0.074,647 -0.173,648 -0.118,649 -0.133,650 -0.128,651 0.054,652 0.133,653 0.079,654 0.058,655 -0.023,656 -0.021,657 4.878,658 5.472,659 0.7,660 31.44,661 1.036,662 1.122,663 2.543,664 6.468,665 0.737,666 3.526,667 3.892,668 4.111,669 4.382,670 4.595,671 4.71,672 4.828,673 4.934,674 5.011,675 5.124,676 7.349,677 0.719,678 443.52,679 3.526,680 5.094,681 5.938,682 6.832,683 7.695,684 8.592,685 9.463,686 10.36,687 11.236,688 12.134,689 11.4,694 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,730 1,731 44,733 25,734 2,735 33,737 47,738 19,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 14,782 9,783 2,784 11,785 2,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,846 1,848 30,852 1,855 2,863 1,869 1,870 6.8,873 3,877 15.75,878 8.326,879 6.347,880 2.373,881 4.224,882 1.538,883 1.029,884 5.459,885 12.075,886 3.871,887 4.557,888 5.099,889 5.725,890 6.273,891 6.636,892 7.085,893 7.498,894 7.815,895 8.243,896 0.889,897 46,898 11.37,900 5.273,901 8.192,902 20.31,904 16.761,905 2.692,906 80.75,909 1,910 141.253,911 157.376,912 84.772,914 69.458,915 14.96,916 37.085,917 120.291,918 210.711,919 99.732,920 8.825,921 18.011,922 81.617,923 152.695,924 28.306,925 17.605,926 160.76,928 141.253,929 205.063,930 84.418,931 37.085,933 156.213,934 69.458,937 43.184,938 95.118,939 72.569,940 31.278,941 156.213,942 154.23,943 157.376,945 5.807,946 141.253,947 57.886,948 93.683,949 34.416,950 134.775,951 141.253,952 169.19,953 157.376,955 0.595,956 0.325,957 0.172,958 0.095,959 24,960 11,961 0.106,962 5,963 1,964 1.095,965 4.132,966 267.289,967 0.095,968 21,969 141.207,970 1,973 1,974 20.33,975 8.056,976 4.638,977 1.557,978 169.19,979 12.946,980 12.561,983 1.318,984 0.968,986 34.416,987 467.82,988 47,991 -3.962,993 36.156,997 -0.205,999 45.574,1000 49.375,1001 0.366,1002 0.725,1003 0.855,1004 0.939,1005 0.939,1006 0.939,1007 5.115,1008 1.592,1009 5.969,1010 4.674,1011 4.575,1012 5.244,1013 1.953,1014 6.812,1015 4.445,1016 6.381,1017 1.519,1018 7.554,1019 4.391,1020 4.369,1021 5.33,1022 1.593,1023 7.953,1024 4.147,1025 7.737,1026 1.374,1027 9.248,1028 4.374,1029 6.248,1030 7.594,1031 2.904,1032 10.977,1033 5.974,1034 9.132,1035 1.099,1036 11.008,1037 3.734,1038 6.815,1039 8.466,1040 3.032,1041 12.964,1042 6.428,1043 10.559,1044 1,1045 12.815,1046 2.537,1047 8.239,1048 10.269,1049 4.037,1050 15.594,1051 7.804,1052 12.011,1053 0.411,1054 14.656,1055 2.275,1056 9.151,1057 11.496,1058 4.409,1059 17.91,1060 8.599,1061 13.483,1062 -0.086,1063 16.524,1064 1.083,1065 10.413,1066 13.127,1067 5.25,1068 20.44,1069 9.801,1070 3.393,1071 -0.229,1072 18.414,1073 -0.23,1074 11.48,1075 14.516,1076 5.75,1077 22.879,1078 10.756,1079 3.062,1080 12.509,1081 20.321,1082 -0.587,1083 12.687,1084 16.08,1085 6.501,1086 25.39,1087 11.89,1088 2.785,1089 9.8,1090 22.242,1091 4.707,1092 13.825,1093 17.544,1094 7.068,1095 27.877,1096 12.921,1097 2.428,1098 8.898,1099 24.175,1100 4.453,1101 15.018,1102 19.083,1103 7.771,1104 30.389,1105 14.031,1106 2.343,1107 6.94,1108 26.116,1109 3.807,1110 16.189,1111 20.582,1112 8.374,1113 32.895,1114 15.099,1115 2.189,1116 6.555,1117 28.066,1118 3.398,1119 17.382,1120 22.113,1121 9.051,1122 35.412,1123 16.203,1124 1.744,1125 6.195,1126 30.022,1127 3.124,1128 18.569,1129 23.629,1130 9.674,1131 37.927,1132 17.29,1133 11838,1134 23235,1135 21.671,1136 32.432,1137 50.529,1138 51.924,1139 51.32,1140 49.951,1141 49.88,1142 70.013,1143 4.112,1144 147.929,1145 46.776,1146 5.685,1147 6.686,1148 6.854,1149 5.432,1150 5.393,1151 7.707,1152 3.306,1153 19.857,1154 5.083,1155 16.473,1156 1.531,1157 1.573,1158 1.555,1159 1.514,1160 1.512,1161 2.122,1162 0.125,1163 4.483,1164 1.417,1165 4.11,1166 4.117,1167 4.736,1168 4.083,1169 8.201,1170 4.034,1171 4.04,1172 4.03,1173 4.322,1174 4.034,1175 7.717,1176 3.956,1177 3.793,1178 3.838,1179 3.805,1180 3.662,1181 7.43,1182 3.667,1183 3.611,1184 3.626,1185 3.718,1186 3.518,1187 6.999,1188 3.454,1189 3.551,1190 3.562,1191 3.49,1192 3.346,1193 5.037,1194 3.359,1195 3.225,1196 3.265,1197 3.333,1198 3.15,1199 4.904,1200 3.106,1201 2.896,1202 2.947,1203 2.893,1204 2.8,1205 4.583,1206 2.784,1207 2.854,1208 2.925,1209 2.738,1210 2.735,1211 4.302,1212 2.715,1213 0.147,1214 0.142,1215 0.221,1216 0.131,1217 0.103,1218 4.856,1219 0.143,1220 4.686,1221 0.058,1222 7.308,1223 0.379,1224 4.31,1225 0.093,1226 3.393,1227 4.707,1228 1.907,1229 12.509,1230 3.083,1231 1.968,1232 1.968,1233 2.01,1234 2.061,1235 1.164,1236 2.076,1237 1.933,1238 1.925,1239 1.962,1240 1.997,1241 1.143,1242 2.013,1243 1.666,1244 1.629,1245 1.746,1246 1.833,1247 0.762,1248 1.818,1249 1.525,1250 1.482,1251 1.724,1252 1.773,1253 0.738,1254 1.762,1255 1.405,1256 1.437,1257 1.254,1258 1.563,1259 0.545,1260 1.595,1261 1.195,1262 1.168,1263 1.192,1264 1.35,1265 0.431,1266 1.38,1267 0.904,1268 0.877,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.02,1277 0.131,1278 1.045,1279 4.205,1281 5.557,1282 2.398,1283 7.086,1284 4.727,1285 8.695,1286 6.823,1287 10.346,1289 1.41,1291 13.053,1296 4.947,1305 31.643,1306 87.837,1307 174.176,1308 205.46,1309 225.46,1310 225.46,1311 225.46,1312 66.265,1313 7.851,1314 113.94,1315 150.56,1316 23,1317 12.662,1318 4.7,1319 3.907,1320 47.211,1321 132,1322 132,1323 0.174,1324 200.67,1325 339.64,1326 481.395,1327 29505,1328 2.3,1329 21.303,1330 0.71,1331 0.57,1332 21.036,1333 17.09,1334 14.298,1335 0.433,1336 0.33,1337 8.657,1338 12.471,1339 8.279,1340 6.844,1341 15.133,1342 10.9,1343 14.002,1344 0.292,1345 0.186,1346 15.35,1347 8.921,1348 10.683,1349 0.178,1350 0.104,1351 12.111,1352 6.25,1353 9.1,1354 0.115,1355 0.058,1356 10.926,1357 4.552,1358 7.122,1359 0.073,1360 0.031,1361 8.559,1362 3.018,1363 0.277,1364 102.583,1365 0.215,1366 28.552,1367 0.466,1368 162,1369 616.64,1370 245.793,1371 610.995,1372 815.28,1373 562,1374 189,1375 550.168,1376 274.51,1377 600.963,1378 876.01,1379 563,1380 6.083}
{0 CHEMBL1773581,1 1.846,2 12.9,3 3.711,4 13.774,5 116.751,6 9.352,7 0.667,8 3.978,9 4.064,10 3.903,11 3.631,12 5.148,13 3.585,14 4.473,15 4.598,16 4.251,17 3.994,18 5.896,19 3.94,20 4.649,21 4.79,22 4.234,23 4.076,24 5.924,25 4.002,26 4.696,27 4.868,28 4.214,29 4.021,30 6.066,31 3.936,32 4.589,33 4.767,34 4.076,35 3.92,36 5.834,37 3.847,38 4.494,39 4.654,40 4.021,41 3.869,42 5.796,43 3.806,44 4.498,45 4.655,46 3.927,47 3.802,48 5.833,49 3.743,50 4.41,51 4.6,52 3.829,53 3.729,54 5.621,55 3.631,56 0.13,57 0.752,58 8.655,59 4.413,60 16.889,61 4.237,62 0.464,63 1.206,64 15.681,65 7.29,66 54.552,67 7.848,68 0.44,69 1.386,70 22.838,71 9.121,72 56.249,73 8.504,74 0.629,75 1.399,76 25.419,77 9.783,78 73.972,79 9.913,80 0.44,81 1.272,82 25.703,83 9.069,84 54.5,85 8.907,86 0.364,87 1.181,88 21.37,89 8.038,90 40.299,91 7.716,92 0.523,93 1.133,94 20.365,95 7.358,96 70.143,97 6.599,98 0.378,99 1.021,100 21.494,101 7.943,102 51.116,103 8.178,104 28,105 48,106 0.308,107 0.646,108 0.764,109 0.857,110 0.857,111 0.857,112 3.44,113 1.019,114 -3.89,115 -3.84,116 -3.65,119 42.6,120 2,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 8,174 2,175 6,178 6,180 2,183 10,187 8,192 2,195 9,198 5,199 9,204 6,207 3,212 9,217 5,220 1,223 1,224 14,229 2,232 2,237 9,240 1,242 2,245 6,249 1,250 4,253 1,258 8,262 1,263 4,266 1,267 1,271 9,275 1506,276 19.728,277 19.728,278 19.728,279 19.728,280 19.728,281 16.712,282 15.302,283 11.444,284 20.292,285 16.331,286 16.331,287 16.331,288 16.331,289 16.331,290 11.706,291 15.044,292 5.499,293 17.326,294 3.708,295 1.676,296 0.968,297 0.415,298 0.415,299 0.415,300 4.132,304 1,305 1,306 834,307 3.873,310 72.885,311 286.489,314 127.271,318 1.98,319 38.658,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 65.5,331 387,332 4.856,333 4.686,334 7.308,335 4.31,336 3.393,337 4.707,338 1.907,339 12.509,340 3.085,341 4.515,342 3.536,343 6.342,344 4.002,345 3.062,346 4.453,347 0.149,348 9.8,349 2.902,350 4.173,351 3.059,352 6.072,353 3.718,354 2.785,355 3.807,357 8.898,358 2.582,359 3.843,360 2.812,361 5.384,362 3.415,363 2.428,364 3.398,366 6.94,367 2.405,368 3.713,369 2.567,370 5.25,371 3.308,372 2.343,373 3.124,375 6.555,376 2.257,377 3.56,378 2.41,379 5.085,380 3.138,381 2.189,382 2.835,384 6.195,385 2.054,386 3.188,387 2.088,388 4.66,389 2.693,390 1.744,391 2.399,393 4.674,394 1.627,395 3.07,396 1.692,397 4.454,398 2.575,399 1.592,400 2.295,402 4.391,403 1.548,404 3.016,405 1.525,406 4.378,407 2.45,408 1.519,409 2.248,411 4.374,412 1.398,413 2.85,414 1.424,415 4.215,416 2.347,417 1.374,418 1.996,420 3.734,421 1.328,422 2.591,423 1.108,424 3.488,425 2.035,426 1.099,427 1.634,428 2.537,429 1.025,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 0.589,440 3.183,441 1.314,442 0.411,443 0.611,445 1.083,446 0.365,447 1.202,448 0.499,449 3.154,450 0.857,451 -0.086,452 -0.104,454 -0.23,455 -0.08,456 1.119,457 0.41,458 2.662,459 0.723,460 -0.229,461 -0.277,463 -0.587,464 -0.208,465 14.667,466 0.489,467 0.96,468 0.032,469 45,470 1.5,471 25.5,472 0.85,473 19.5,474 0.65,475 21.807,476 0.727,477 30.933,478 0.658,479 34.362,480 1.145,481 8.559,482 0.285,483 5.739,484 0.191,485 0.136,486 0.057,487 0.307,493 0.584,494 1.233,495 0.753,496 1.053,497 0.652,498 0.829,499 0.439,500 0.95,501 0.759,502 0.907,503 0.509,504 0.832,505 1.229,506 1.18,507 1.18,508 1.119,509 1.149,510 1.037,511 0.957,512 1.056,513 1.027,514 1.018,515 0.962,516 1,517 1.19,518 1.109,519 1.133,520 1.06,521 1.083,522 0.913,523 1.137,524 1.137,525 1.172,526 1.114,527 0.945,528 0.978,529 1.63,530 1,531 1.181,532 0.988,533 1.643,534 1.018,535 1.011,536 0.945,537 0.822,538 0.882,539 1.059,540 0.998,541 8.5,542 0.238,543 3.556,544 2.479,545 1.578,546 1.282,547 0.638,548 0.523,549 0.327,550 0.233,551 12378,552 40507,553 2.059,554 36.2,555 3,556 8,558 1,559 2,560 3,564 1.726,565 1.905,566 3.642,567 0.309,569 1,573 86.776,574 1.846,575 3.878,576 4.586,577 5.139,578 5.139,579 5.139,580 3.111,581 4.44,582 4.876,583 3.797,584 1651.73,585 8.494,586 23213.1,588 1,590 1,591 261.066,592 1.615,593 4.82,594 0.258,595 0.01,596 0.074,597 0.054,598 0.037,599 0.032,600 0.016,601 0.015,602 0.011,603 0.008,604 0.515,605 0.33,606 1,607 0.922,608 155.518,609 0.03,610 -0.133,611 0.155,612 -0.047,613 -0.151,614 0.033,615 0.396,616 0.113,617 0.144,618 0.054,619 0.256,620 0.056,621 -0.242,622 -0.136,623 -0.161,624 -0.093,625 -0.164,626 -0.119,627 0.09,628 -0.041,630 -0.016,631 0.073,632 -0.042,633 -0.177,634 -0.093,635 -0.051,636 -0.019,637 -0.093,638 0.067,639 -0.167,640 -0.088,641 -0.143,642 -0.101,643 -0.014,644 -0.043,645 -0.364,646 0.006,647 -0.231,648 -0.04,649 -0.288,650 -0.115,651 -0.059,652 -0.015,653 0.082,654 0.046,655 -0.084,656 0.001,657 4.712,658 5.594,659 0.7,660 31.44,661 1.02,662 1.116,663 2.656,664 7.057,665 0.729,666 3.526,667 3.892,668 4.111,669 4.382,670 4.595,671 4.71,672 4.828,673 4.934,674 5.011,675 5.124,676 7.349,677 0.698,678 439.56,679 3.526,680 5.094,681 5.938,682 6.832,683 7.695,684 8.592,685 9.463,686 10.36,687 11.236,688 12.134,689 10.6,694 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,731 47,733 25,734 2,735 33,737 50,738 20,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 2,766 3,769 1,771 3,775 1,778 1,781 17,782 8,783 2,784 10,785 2,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,848 30,852 1,855 2,863 1,870 6.4,873 3,877 15.75,878 9.183,879 6.347,880 2.587,881 4.224,882 1.538,883 1.022,884 5.502,885 12.075,886 3.871,887 4.557,888 5.099,889 5.725,890 6.273,891 6.636,892 7.085,893 7.498,894 7.815,895 8.243,896 0.889,897 46,898 11.317,900 5.135,901 7.992,902 20.663,904 17.035,905 2.492,906 74.75,909 1,910 176.567,911 160.266,912 84.772,914 69.458,916 37.085,917 123.181,918 246.024,919 84.772,920 17.65,921 18.011,922 81.617,923 152.695,924 22.371,925 2.645,926 196.073,928 176.567,929 207.953,930 69.458,931 37.085,933 176.567,934 69.458,937 52.009,938 89.182,939 72.569,940 31.278,941 176.567,942 154.23,943 160.266,945 5.807,946 176.567,947 51.951,948 102.508,949 34.416,950 119.814,951 176.567,952 154.23,953 160.266,955 0.595,956 0.325,957 0.172,958 0.095,959 24,960 11,961 0.1,962 5,963 1,964 1.095,965 4.132,966 267.289,967 0.095,968 21,969 141.207,970 1,973 1,974 20.392,975 8.094,976 4.664,977 1.624,978 154.23,979 15.258,980 12.736,983 1.349,984 2.938,986 34.416,987 491.063,988 47,991 -3.795,993 36.42,997 -0.185,999 47.945,1000 52.451,1001 0.332,1002 0.698,1003 0.826,1004 0.925,1005 0.925,1006 0.925,1007 5.115,1008 1.592,1009 5.969,1010 4.674,1011 4.575,1012 5.244,1013 1.953,1014 6.812,1015 4.459,1016 6.381,1017 1.519,1018 7.554,1019 4.391,1020 4.369,1021 5.33,1022 1.593,1023 7.953,1024 4.175,1025 7.737,1026 1.374,1027 9.248,1028 4.374,1029 6.248,1030 7.594,1031 2.904,1032 10.977,1033 5.997,1034 9.132,1035 1.099,1036 11.008,1037 3.734,1038 6.815,1039 8.466,1040 3.032,1041 12.964,1042 6.459,1043 10.559,1044 1,1045 12.815,1046 2.537,1047 8.239,1048 10.269,1049 4.037,1050 15.594,1051 7.83,1052 12.011,1053 0.411,1054 14.656,1055 2.275,1056 9.151,1057 11.496,1058 4.409,1059 17.91,1060 8.627,1061 13.483,1062 -0.086,1063 16.524,1064 1.083,1065 10.413,1066 13.127,1067 5.25,1068 20.44,1069 9.825,1070 3.393,1071 -0.229,1072 18.414,1073 -0.23,1074 11.48,1075 14.516,1076 5.75,1077 22.879,1078 10.78,1079 3.062,1080 12.509,1081 20.321,1082 -0.587,1083 12.687,1084 16.08,1085 6.501,1086 25.39,1087 11.911,1088 2.785,1089 9.8,1090 22.242,1091 4.707,1092 13.825,1093 17.544,1094 7.068,1095 27.877,1096 12.941,1097 2.428,1098 8.898,1099 24.175,1100 4.453,1101 15.018,1102 19.083,1103 7.771,1104 30.389,1105 14.049,1106 2.343,1107 6.94,1108 26.116,1109 3.807,1110 16.189,1111 20.582,1112 8.374,1113 32.895,1114 15.116,1115 2.189,1116 6.555,1117 28.066,1118 3.398,1119 17.382,1120 22.113,1121 9.051,1122 35.412,1123 16.218,1124 1.744,1125 6.195,1126 30.022,1127 3.124,1128 18.569,1129 23.629,1130 9.674,1131 37.927,1132 17.304,1133 11838,1134 21627,1135 21.671,1136 34.256,1137 50.529,1138 51.618,1139 51.32,1140 49.869,1141 49.88,1142 70.013,1143 4.112,1144 147.929,1145 47.152,1146 5.685,1147 6.686,1148 6.854,1149 5.433,1150 5.393,1151 7.707,1152 3.306,1153 19.857,1154 5.085,1155 16.473,1156 1.531,1157 1.564,1158 1.555,1159 1.511,1160 1.512,1161 2.122,1162 0.125,1163 4.483,1164 1.429,1165 4.112,1166 4.119,1167 4.736,1168 4.087,1169 7.717,1170 4.036,1171 4.042,1172 4.035,1173 4.322,1174 4.037,1175 7.43,1176 3.965,1177 3.799,1178 3.844,1179 3.805,1180 3.674,1181 6.999,1182 3.673,1183 3.636,1184 3.639,1185 3.722,1186 3.564,1187 5.038,1188 3.493,1189 3.556,1190 3.586,1191 3.49,1192 3.347,1193 4.904,1194 3.362,1195 3.227,1196 3.268,1197 3.333,1198 3.151,1199 4.702,1200 3.108,1201 3.055,1202 3.141,1203 2.898,1204 2.882,1205 4.302,1206 2.855,1207 2.892,1208 2.943,1209 2.851,1210 2.794,1211 3.931,1212 2.776,1213 0.147,1214 0.142,1215 0.221,1216 0.131,1217 0.103,1218 4.856,1219 0.143,1220 4.686,1221 0.058,1222 7.308,1223 0.379,1224 4.31,1225 0.093,1226 3.393,1227 4.707,1228 1.907,1229 12.509,1230 3.085,1231 1.98,1232 1.981,1233 2.026,1234 2.065,1235 1.198,1236 2.086,1237 1.944,1238 1.929,1239 2.008,1240 2.007,1241 1.157,1242 2.021,1243 1.675,1244 1.642,1245 1.747,1246 1.839,1247 0.802,1248 1.831,1249 1.525,1250 1.488,1251 1.724,1252 1.774,1253 0.739,1254 1.763,1255 1.471,1256 1.482,1257 1.53,1258 1.611,1259 0.71,1260 1.656,1261 1.195,1262 1.168,1263 1.252,1264 1.352,1265 0.432,1266 1.382,1267 1.059,1268 0.986,1269 1.181,1270 1.301,1271 0.388,1272 1.346,1273 0.898,1274 0.869,1275 1.158,1276 1.062,1277 0.218,1278 1.107,1279 4.205,1281 5.557,1282 2.398,1283 7.086,1284 4.727,1285 8.695,1286 6.823,1287 10.346,1289 3.313,1296 5.093,1305 32.786,1306 86.776,1307 182.272,1308 215.556,1309 241.556,1310 241.556,1311 241.556,1312 58.458,1313 7.851,1314 113.94,1315 150.56,1316 23,1317 12.662,1318 4.7,1319 3.907,1320 47.211,1321 132,1322 132,1323 0.174,1324 209.064,1325 350.87,1326 501.877,1327 29505,1329 21.303,1330 0.71,1331 0.59,1332 21.906,1333 17.712,1334 14.298,1335 0.433,1336 0.34,1337 8.994,1338 12.589,1339 8.522,1340 7.102,1341 15.527,1342 11.211,1343 14.002,1344 0.292,1345 0.193,1346 15.972,1347 9.28,1348 10.683,1349 0.178,1350 0.108,1351 12.522,1352 6.457,1353 9.1,1354 0.115,1355 0.059,1356 11.065,1357 4.655,1358 7.122,1359 0.073,1360 0.033,1361 8.741,1362 3.205,1363 0.277,1364 101.717,1365 0.215,1366 28.552,1367 0.466,1368 162,1369 530.528,1370 241.962,1371 557.759,1372 756.48,1373 514,1374 189,1375 516.835,1376 271.599,1377 576.173,1378 838.93,1379 539,1380 7.086}
{0 CHEMBL1773582,1 1.818,2 12.871,3 4.065,4 16.523,5 120.985,6 9.072,7 0.647,8 4.031,9 4.12,10 3.929,11 3.67,12 5.184,13 3.622,14 4.54,15 4.681,16 4.302,17 4.044,18 5.898,19 3.986,20 4.707,21 4.836,22 4.323,23 4.157,24 5.99,25 4.083,26 4.841,27 5.017,28 4.288,29 4.125,30 6.211,31 4.048,32 4.701,33 4.871,34 4.156,35 4.063,36 5.917,37 3.98,38 4.692,39 4.877,40 4.091,41 4.031,42 5.902,43 3.942,44 4.669,45 4.852,46 3.998,47 3.948,48 5.917,49 3.868,50 4.569,51 4.768,52 3.922,53 3.882,54 5.718,55 3.759,56 0.115,57 0.795,58 9.798,59 4.772,60 15.857,61 4.862,62 0.499,63 1.29,64 17.935,65 7.745,66 50.125,67 8.636,68 0.37,69 1.49,70 27.265,71 10.305,72 47.693,73 9.815,74 0.807,75 1.585,76 30.305,77 10.706,78 106.447,79 10.639,80 0.403,81 1.417,82 26.846,83 10.011,84 48.816,85 10.393,86 0.384,87 1.397,88 26.809,89 10.087,90 44.67,91 10.886,92 0.544,93 1.314,94 25.74,95 9.113,96 73.469,97 9.479,98 0.373,99 1.182,100 24.012,101 9.311,102 50.868,103 10.295,104 39,105 50,106 0.3,107 0.634,108 0.765,109 0.85,110 0.85,111 0.85,112 3.472,113 1.021,114 -4.11,115 -4.06,116 -3.84,119 42,120 2,124 1,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 8,174 6,175 6,178 2,180 2,183 10,187 10,195 9,198 5,199 13,204 2,207 3,212 12,217 2,220 1,223 1,224 16,232 2,237 10,240 1,242 1,245 6,249 2,250 4,258 8,262 1,263 4,266 2,271 9,275 1598,276 20.305,277 20.305,278 20.305,279 20.305,280 20.305,281 17.337,282 18.435,283 11.647,284 20.885,285 16.762,286 16.762,287 16.762,288 16.762,289 16.762,290 12.16,291 24.142,292 5.542,293 17.788,294 3.826,295 1.796,296 1.005,297 0.485,298 0.485,299 0.485,300 4.161,304 1,305 1,306 857,307 4.123,310 75.951,311 298.238,314 132.352,318 1.948,319 40.719,322 1,323 0.83,324 1,325 0.6,327 0.83,328 1,329 0.75,330 67.5,331 399,332 4.946,333 4.727,334 7.692,335 4.453,336 3.531,337 4.772,338 1.907,339 13.68,340 3.229,341 4.516,342 3.536,343 6.347,344 4.002,345 3.062,346 4.453,347 0.4,348 9.808,349 2.903,350 4.186,351 3.069,352 6.118,353 3.726,354 2.796,355 3.819,356 0.149,357 8.978,358 2.587,359 3.874,360 2.912,361 5.888,362 3.468,363 2.498,364 3.417,366 7.823,367 2.438,368 3.73,369 2.633,370 5.259,371 3.312,372 2.346,373 3.151,375 6.606,376 2.259,377 3.591,378 2.523,379 5.141,380 3.199,381 2.237,382 2.853,384 6.24,385 2.12,386 3.207,387 2.117,388 4.835,389 2.729,390 1.772,391 2.422,393 4.88,394 1.676,395 3.092,396 1.778,397 4.472,398 2.606,399 1.644,400 2.323,402 4.404,403 1.556,404 3.017,405 1.526,406 4.383,407 2.451,408 1.519,409 2.249,411 4.38,412 1.401,413 2.883,414 1.452,415 4.26,416 2.369,417 1.394,418 2.03,420 3.809,421 1.35,422 2.595,423 1.12,424 3.726,425 2.04,426 1.104,427 1.639,428 2.587,429 1.03,430 2.5,431 1,432 3.461,433 2,434 1,435 1.5,436 2.275,437 1,438 2.008,439 0.921,440 3.414,441 1.624,442 0.692,443 0.861,445 1.778,446 0.642,447 1.902,448 0.589,449 3.162,450 1.313,451 0.41,452 0.61,454 1.079,455 0.364,456 1.119,457 0.41,458 2.763,459 0.752,460 -0.227,461 -0.277,463 -0.5,464 -0.208,465 15.167,466 0.489,467 1.023,468 0.033,469 45.75,470 1.476,471 25.5,472 0.823,473 20.25,474 0.653,475 23.954,476 0.773,477 32.233,478 0.645,479 36.337,480 1.172,481 8.727,482 0.282,483 6.008,484 0.194,485 0.165,486 0.055,487 0.323,493 0.562,494 1.323,495 0.751,496 1.099,497 0.64,498 0.88,499 0.494,500 0.863,501 0.697,502 0.786,503 0.538,504 0.733,505 1.174,506 1.328,507 1.329,508 1.319,509 1.07,510 1.08,511 1.345,512 0.939,513 1.075,514 0.896,515 1.37,516 0.932,517 1.114,518 1.16,519 1.127,520 1.116,521 1.019,522 1.027,523 0.965,524 1.1,525 1.071,526 1.083,527 0.812,528 1.023,529 1.406,530 0.957,531 1.066,532 0.946,533 1.42,534 0.998,535 0.898,536 0.974,537 0.783,538 0.901,539 0.962,540 1.072,541 8.5,542 0.238,543 4.444,544 2.854,545 1.778,546 1.483,547 0.76,548 0.57,549 0.366,550 0.278,551 13053,552 41718,553 2.038,554 38,555 3,556 11,558 1,559 1,560 3,564 1.736,565 1.869,566 3.644,567 -0.265,569 1,573 90.879,574 1.818,575 3.848,576 4.639,577 5.159,578 5.159,579 5.159,580 3.112,581 4.567,582 4.923,583 3.785,584 1760.2,585 8.595,586 24984.3,588 1,591 282.193,592 1.663,593 4.859,594 0.25,595 0.009,596 0.089,597 0.056,598 0.038,599 0.034,600 0.018,601 0.015,602 0.011,603 0.009,604 0.53,605 0.33,606 1,607 0.938,608 161.593,609 0.056,610 -0.211,611 0.166,612 -0.08,613 -0.141,614 0.004,615 0.374,616 0.223,617 0.225,618 0.178,619 0.223,620 0.167,621 -0.191,622 -0.246,623 -0.199,624 -0.206,625 -0.082,626 -0.152,627 -0.083,628 0.09,629 -0.076,630 0.07,631 -0.065,632 -0.015,633 -0.161,634 -0.143,635 -0.115,636 -0.105,637 -0.092,638 -0.068,639 -0.088,640 -0.096,641 -0.085,642 -0.095,643 0.016,644 -0.046,645 -0.252,646 0.014,647 -0.133,648 -0.008,649 -0.201,650 -0.05,651 -0.023,652 -0.056,653 0.087,654 0.014,655 -0.071,656 -0.069,657 4.707,658 5.962,659 0.677,660 32.35,661 1.017,662 1.117,663 2.879,664 8.291,665 0.72,666 3.555,667 3.932,668 4.19,669 4.431,670 4.644,671 4.762,672 4.898,673 4.984,674 5.056,675 5.182,676 7.298,677 0.686,678 453.59,679 3.555,680 5.13,681 5.989,682 6.887,683 7.765,684 8.666,685 9.552,686 10.455,687 11.345,688 12.248,689 10,695 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,731 50,733 25,734 2,735 34,737 53,738 21,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 3,766 3,769 1,771 3,775 1,778 1,781 19,782 8,783 1,784 10,785 2,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,826 1,840 3,842 2,844 3,848 31,852 1,855 1,859 1,863 1,870 6,873 3,877 16.583,878 10.133,879 6.583,880 2.767,881 4.196,882 1.531,883 1.01,884 5.739,885 12.092,886 3.892,887 4.577,888 5.147,889 5.749,890 6.299,891 6.666,892 7.124,893 7.527,894 7.846,895 8.285,896 0.889,897 51,898 11.709,900 5.305,901 7.96,902 21.445,904 17.671,905 2.46,906 76.25,909 1,910 211.88,911 168.662,912 69.886,914 69.458,916 37.085,917 131.577,918 281.338,919 69.886,920 26.047,921 18.011,922 81.617,923 136.29,924 23.889,925 2.645,926 231.386,928 211.88,929 201.463,930 69.458,931 37.085,933 211.88,934 69.458,937 52.009,938 99.097,939 56.164,940 31.278,941 211.88,942 139.344,943 168.662,945 5.807,946 211.88,947 51.951,948 112.423,949 18.011,950 119.814,951 211.88,952 139.344,953 168.662,955 0.599,956 0.341,957 0.174,958 0.095,959 25,960 12,961 0.094,962 5,963 1,964 1.095,965 4.135,966 283.902,967 0.095,968 21,969 147.58,970 1,973 1,974 21.353,975 8.332,976 4.434,977 1.632,978 139.344,979 15.45,980 12.988,983 1.355,984 3.099,986 18.011,987 519.886,988 48,991 -3.79,993 37.189,997 -0.183,999 50.829,1000 55.866,1001 0.322,1002 0.682,1003 0.822,1004 0.914,1005 0.914,1006 0.914,1007 5.145,1008 1.644,1009 6.028,1010 4.88,1011 4.615,1012 5.265,1013 1.997,1014 6.903,1015 4.498,1016 6.412,1017 1.519,1018 7.641,1019 4.404,1020 4.443,1021 5.359,1022 1.593,1023 8.124,1024 4.247,1025 7.773,1026 1.394,1027 9.367,1028 4.38,1029 6.315,1030 7.618,1031 2.907,1032 11.203,1033 6.062,1034 9.176,1035 1.104,1036 11.165,1037 3.809,1038 6.938,1039 8.509,1040 3.032,1041 13.298,1042 6.582,1043 10.613,1044 1,1045 13.014,1046 2.587,1047 8.362,1048 10.309,1049 4.038,1050 16.011,1051 7.949,1052 12.077,1053 0.692,1054 14.902,1055 2.275,1056 9.331,1057 11.555,1058 4.409,1059 18.436,1060 8.806,1061 13.562,1062 0.41,1063 16.82,1064 1.778,1065 10.609,1066 13.187,1067 5.25,1068 21.065,1069 10.016,1070 3.531,1071 -0.227,1072 18.762,1073 1.079,1074 11.729,1075 14.593,1076 5.75,1077 23.608,1078 11.027,1079 3.062,1080 13.68,1081 20.723,1082 -0.5,1083 12.966,1084 16.162,1085 6.501,1086 26.221,1087 12.185,1088 2.796,1089 9.808,1090 22.7,1091 4.772,1092 14.152,1093 17.642,1094 7.068,1095 28.808,1096 13.268,1097 2.498,1098 8.978,1099 24.689,1100 4.453,1101 15.383,1102 19.19,1103 7.771,1104 31.419,1105 14.412,1106 2.346,1107 7.823,1108 26.689,1109 3.819,1110 16.601,1111 20.703,1112 8.374,1113 34.023,1114 15.529,1115 2.237,1116 6.606,1117 28.696,1118 3.417,1119 17.837,1120 22.245,1121 9.051,1122 36.636,1123 16.674,1124 1.772,1125 6.24,1126 30.71,1127 3.151,1128 19.07,1129 23.775,1130 9.674,1131 39.247,1132 17.81,1133 12537,1134 22625,1135 22.076,1136 36.017,1137 52.562,1138 53.465,1139 53.964,1140 51.985,1141 52.013,1142 72.202,1143 4.912,1144 156.653,1145 49.11,1146 5.777,1147 6.727,1148 7.236,1149 5.575,1150 5.531,1151 7.772,1152 3.306,1153 21.919,1154 5.229,1155 18.132,1156 1.546,1157 1.572,1158 1.587,1159 1.529,1160 1.53,1161 2.124,1162 0.144,1163 4.607,1164 1.444,1165 4.12,1166 4.125,1167 4.742,1168 4.093,1169 7.715,1170 4.039,1171 4.045,1172 4.04,1173 4.322,1174 4.04,1175 7.43,1176 3.971,1177 3.806,1178 3.851,1179 3.809,1180 3.683,1181 6.999,1182 3.682,1183 3.647,1184 3.656,1185 3.723,1186 3.57,1187 5.033,1188 3.508,1189 3.556,1190 3.592,1191 3.492,1192 3.348,1193 4.898,1194 3.362,1195 3.236,1196 3.283,1197 3.335,1198 3.153,1199 4.702,1200 3.111,1201 3.15,1202 3.233,1203 2.988,1204 2.967,1205 4.302,1206 2.948,1207 2.986,1208 3.049,1209 2.865,1210 2.797,1211 4.004,1212 2.776,1213 0.145,1214 0.139,1215 0.226,1216 0.131,1217 0.104,1218 4.946,1219 0.14,1220 4.727,1221 0.056,1222 7.692,1223 0.402,1224 4.453,1225 0.095,1226 3.531,1227 4.772,1228 1.907,1229 13.68,1230 3.229,1231 1.985,1232 1.986,1233 2.027,1234 2.072,1235 1.212,1236 2.093,1237 1.944,1238 1.929,1239 2.008,1240 2.008,1241 1.157,1242 2.021,1243 1.691,1244 1.658,1245 1.766,1246 1.853,1247 0.882,1248 1.851,1249 1.525,1250 1.5,1251 1.726,1252 1.776,1253 0.739,1254 1.764,1255 1.497,1256 1.482,1257 1.601,1258 1.649,1259 0.714,1260 1.68,1261 1.196,1262 1.168,1263 1.515,1264 1.411,1265 0.602,1266 1.461,1267 1.175,1268 1.087,1269 1.25,1270 1.349,1271 0.432,1272 1.38,1273 0.93,1274 0.88,1275 1.181,1276 1.192,1277 0.276,1278 1.247,1279 4.234,1281 5.595,1282 2.398,1283 7.141,1284 4.727,1285 8.77,1286 6.823,1287 10.442,1289 4.757,1296 2.683,1300 1.071,1305 34.313,1306 90.879,1307 192.379,1308 231.928,1309 257.928,1310 257.928,1311 257.928,1312 63.223,1313 7.896,1314 105.15,1315 141.77,1316 23,1317 12.77,1318 4.7,1319 3.907,1320 49.551,1321 136,1322 138,1323 0.179,1324 218.657,1325 368.17,1326 525.282,1327 30655,1329 22.173,1330 0.715,1331 0.602,1332 22.777,1333 18.659,1334 14.735,1335 0.433,1336 0.34,1337 9.376,1338 12.959,1339 8.848,1340 7.391,1341 15.932,1342 11.567,1343 14.314,1344 0.286,1345 0.198,1346 16.325,1347 9.91,1348 11.628,1349 0.179,1350 0.112,1351 13.738,1352 7.257,1353 9.334,1354 0.112,1355 0.06,1356 11.297,1357 4.975,1358 7.319,1359 0.071,1360 0.033,1361 8.917,1362 3.396,1363 0.283,1364 104.236,1365 0.213,1366 29.184,1367 0.484,1368 168,1369 541.841,1370 251.664,1371 567.653,1372 773.64,1373 524,1374 199,1375 531.117,1376 285.378,1377 592.376,1378 867.03,1379 554,1380 7.42}
{0 CHEMBL1773583,1 1.722,2 11.462,3 4.384,4 19.215,5 105.781,6 9.463,7 0.759,8 3.812,9 3.901,10 3.677,11 3.533,12 5.004,13 3.47,14 4.265,15 4.384,16 4.109,17 3.888,18 5.483,19 3.807,20 4.423,21 4.578,22 4.021,23 3.951,24 5.552,25 3.828,26 4.349,27 4.514,28 3.978,29 3.867,30 5.479,31 3.737,32 4.281,33 4.442,34 3.852,35 3.778,36 5.419,37 3.68,38 4.266,39 4.432,40 3.789,41 3.768,42 5.397,43 3.658,44 4.206,45 4.367,46 3.759,47 3.694,48 5.346,49 3.568,50 4.152,51 4.362,52 3.483,53 3.535,54 5.175,55 3.407,56 0.031,57 0.57,58 5.282,59 3.284,60 5.056,61 3.54,62 0.185,63 0.974,64 11.862,65 5.562,66 15.168,67 6.094,68 0.23,69 1.108,70 19.556,71 7.968,72 31.932,73 7.489,74 0.202,75 1.045,76 19.361,77 7.73,78 22.17,79 7.753,80 0.186,81 1.014,82 19.038,83 6.826,84 17.965,85 6.262,86 0.156,87 0.946,88 15.048,89 6.377,90 17.849,91 6.675,92 0.171,93 0.864,94 16.46,95 6.42,96 22.136,97 6.402,98 0.151,99 0.804,100 12.842,101 5.677,102 19.874,103 6.934,104 7,105 40,106 0.298,107 0.612,108 0.747,109 0.853,110 0.865,111 0.865,112 3.304,113 0.988,114 -4.86,115 -4.77,116 -4.48,119 47.5,120 1,142 9,143 1,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 7,174 1,175 8,178 2,180 2,183 10,187 4,195 9,198 1,199 9,204 2,207 6,212 7,217 2,220 3,223 1,224 6,232 7,237 3,240 1,242 1,245 11,249 1,250 1,258 8,262 1,263 2,266 1,268 1,271 7,275 1026,276 17.756,277 17.756,278 17.756,279 17.756,280 17.756,281 15.028,282 10.333,283 10.689,284 18.345,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 10.337,291 12.132,292 5.186,293 15.467,294 3.6,295 1.781,296 1.001,297 0.388,298 0.319,299 0.319,300 4.005,304 1,305 1,306 651,307 2.915,310 59.122,311 232.614,314 103.887,318 1.882,319 17.946,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55,331 298,332 4.516,333 4.554,334 6.343,335 4.005,336 3.065,337 4.453,338 2.95,339 9.802,340 2.904,341 4.198,342 3.536,343 6.076,344 3.733,345 2.819,346 3.829,347 1.907,348 8.921,349 2.579,350 3.93,351 3.147,352 5.554,353 3.489,354 2.578,355 3.46,356 0.149,357 7.594,358 2.339,359 3.694,360 3.026,361 5.258,362 3.295,363 2.328,364 3.111,366 6.63,367 2.25,368 3.547,369 2.672,370 5.04,371 3.08,372 2.144,373 2.835,375 6.063,376 1.971,377 3.187,378 2.117,379 4.462,380 2.683,381 1.741,382 2.399,384 4.434,385 1.597,386 3.024,387 1.752,388 4.38,389 2.471,390 1.534,391 2.276,393 4.382,394 1.423,395 2.932,396 1.584,397 4.224,398 2.43,399 1.481,400 2.11,402 3.778,403 1.384,404 2.789,405 1.515,406 3.59,407 2.288,408 1.323,409 1.919,411 3.012,412 1.266,413 2.59,414 1.118,415 3.474,416 2.033,417 1.098,418 1.633,420 2.529,421 1.023,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.903,431 0.674,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.293,439 0.589,440 2.806,441 0.858,447 1.106,448 0.411,449 2.641,450 0.692,451 -0.23,452 -0.277,454 -0.632,455 -0.208,456 0.871,457 0.325,458 2.508,459 0.42,460 -0.535,461 -0.717,463 -1.387,464 -0.506,465 13.1,466 0.504,467 0.588,468 0.023,469 39.25,470 1.51,471 22.5,472 0.865,473 16.75,474 0.644,475 17.922,476 0.689,477 25.3,478 0.633,479 25.666,480 0.987,481 7.529,482 0.29,483 5.141,484 0.198,485 0.064,487 0.305,493 0.727,494 1.037,495 0.679,496 0.762,497 0.613,498 0.747,499 0.505,500 1.086,501 0.762,502 0.964,503 0.551,504 0.862,505 1.377,506 0.996,507 1.232,508 1.009,509 1.347,510 0.947,511 0.78,512 1.113,513 1.182,514 1.149,515 0.593,516 1.004,517 1.2,518 1.133,519 1.356,520 1.182,521 0.832,522 0.975,523 0.936,524 0.981,525 1.061,526 1.009,527 0.695,528 1.018,529 1.061,530 0.984,531 0.922,532 0.993,533 1.235,534 1.102,535 0.71,536 0.926,537 0.703,538 0.848,539 0.776,540 1.031,541 5.5,542 0.127,543 1.778,544 1.667,545 0.987,546 0.726,547 0.514,548 0.296,549 0.167,550 0.128,551 8674,552 26473,553 2.148,554 35,556 9,558 1,559 1,560 3,564 1.688,565 2.053,566 3.504,567 -0.294,569 1,573 68.864,574 1.722,575 3.54,576 4.321,577 4.934,578 5.003,579 5.003,580 2.969,581 3.979,582 4.668,583 3.645,584 1184.59,585 8.077,586 14958.1,588 1,590 1,591 212.877,592 1.239,593 4.65,594 0.19,595 0.007,596 0.044,597 0.045,598 0.029,599 0.022,600 0.017,601 0.011,602 0.008,603 0.006,604 0.379,605 0.17,606 1,607 0.827,608 128.359,609 -0.057,610 -0.066,611 0.051,612 0.05,613 -0.089,614 0.034,615 0.313,616 -0.073,617 0.156,618 -0.037,619 0.115,620 -0.01,621 -0.288,622 0.029,623 -0.14,624 0.042,625 -0.232,626 -0.009,627 0.068,628 -0.083,629 -0.036,630 -0.065,631 0.1,632 -0.029,633 -0.228,634 -0.038,635 -0.245,636 -0.137,637 -0.091,638 -0.058,639 -0.09,640 0.021,641 -0.129,642 -0.068,643 0.021,644 -0.087,645 -0.073,646 -0.042,647 -0.01,648 -0.055,649 -0.143,650 -0.157,651 0.076,652 -0.026,653 0.097,654 0.018,655 -0.03,656 -0.01,657 1.789,658 4.202,659 0.808,660 26.065,661 1.008,662 1.103,663 3.632,664 13.188,665 0.764,666 3.401,667 3.714,668 3.951,669 4.248,670 4.466,671 4.543,672 4.727,673 4.852,674 4.92,675 5.017,676 6.655,677 0.72,678 378.51,679 3.401,680 4.934,681 5.771,682 6.645,683 7.501,684 8.38,685 9.245,686 10.128,687 10.999,688 11.884,689 10,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,731 40,733 23,734 2,735 29,737 43,738 19,739 17,740 4,741 8,746 4,747 5,752 1,761 18,762 1,766 1,771 1,775 1,778 1,781 14,782 5,783 1,784 7,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 1,848 26,855 1,857 1,863 1,870 2.5,873 1,877 12.667,878 7.683,879 5.639,880 2.275,881 4.247,882 1.558,883 1.03,884 4.85,885 11.854,886 3.738,887 4.373,888 4.958,889 5.608,890 6.168,891 6.494,892 7.018,893 7.487,894 7.808,895 8.227,896 0.875,897 37,898 9.542,900 4.03,901 7.712,902 18.195,904 14.787,905 2.212,906 57.5,909 1,910 153.024,911 182.938,912 68.367,914 25.145,916 63.497,917 119.44,918 178.169,919 68.367,920 8.825,921 18.011,922 85.286,923 91.977,924 19.185,925 1.439,926 204.75,928 153.024,929 187.808,930 25.145,931 63.497,933 153.024,934 25.145,937 41.978,938 95.473,939 50.357,940 63.497,941 153.024,942 93.512,943 182.938,946 153.024,947 79.779,948 103.159,949 18.011,950 75.502,951 153.024,952 93.512,953 182.938,955 0.576,956 0.316,957 0.179,958 0.099,959 20,960 8,961 0.093,962 4,963 1,964 1.095,965 3.928,966 217.464,967 0.095,968 21,969 118.211,970 2,974 16.984,975 7.424,976 4.047,977 1.859,978 93.512,979 19.684,980 13.431,983 1.45,984 4.259,986 18.011,987 429.474,988 41,993 11.202,997 -0.123,999 40.305,1000 44.119,1001 0.323,1002 0.665,1003 0.812,1004 0.927,1005 0.94,1006 0.94,1007 4.945,1008 1.481,1009 5.74,1010 4.382,1011 4.394,1012 5.059,1013 3.197,1014 6.509,1015 4.258,1016 6.16,1017 1.323,1018 7.262,1019 3.778,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.676,1025 7.459,1026 1.098,1027 8.878,1028 3.012,1029 5.943,1030 7.287,1031 5.134,1032 10.351,1033 5.67,1034 8.792,1035 1,1036 10.549,1037 2.529,1038 6.236,1039 7.848,1040 3.032,1041 11.934,1042 5.874,1043 10.154,1044 0.411,1045 12.256,1046 2.136,1047 7.754,1048 9.798,1049 7.226,1050 14.508,1051 7.353,1052 11.538,1054 13.989,1055 1.083,1056 8.441,1057 10.789,1058 4.409,1059 16.458,1060 7.95,1061 12.94,1062 -0.23,1063 15.741,1065 9.72,1066 12.486,1067 9.364,1068 18.836,1069 9.194,1070 3.065,1071 -0.535,1072 17.507,1073 -0.632,1074 10.609,1075 13.711,1076 5.75,1077 20.954,1078 10.001,1079 2.819,1080 9.802,1081 19.284,1082 -1.387,1083 11.779,1084 15.287,1085 11.518,1086 23.256,1087 11.134,1088 2.578,1089 8.921,1090 21.07,1091 4.453,1092 12.772,1093 16.637,1094 7.068,1095 25.452,1096 12.053,1097 2.328,1098 7.594,1099 22.864,1100 3.829,1101 13.895,1102 18.158,1103 13.678,1104 27.726,1105 13.136,1106 2.144,1107 6.63,1108 24.664,1109 3.46,1110 14.94,1111 19.574,1112 8.374,1113 29.958,1114 14.116,1115 1.741,1116 6.063,1117 26.469,1118 3.111,1119 16.045,1120 21.071,1121 15.84,1122 32.225,1123 15.178,1124 1.534,1125 4.434,1126 28.278,1127 2.835,1128 17.118,1129 22.521,1130 9.674,1131 34.474,1132 16.191,1133 8187,1134 14467,1135 19.879,1136 30.58,1137 43.689,1138 45.945,1139 43.51,1140 43.13,1141 43.043,1142 60.272,1143 10.012,1144 120.725,1145 40.2,1146 5.276,1147 6.554,1148 6.145,1149 5.143,1150 5.065,1151 7.453,1152 5.9,1153 16.309,1154 4.904,1155 9.739,1156 1.507,1157 1.584,1158 1.5,1159 1.487,1160 1.484,1161 2.078,1162 0.345,1163 4.163,1164 1.386,1165 4.081,1166 4.099,1167 4.325,1168 4.064,1169 7.43,1170 4.027,1171 3.889,1172 3.914,1173 4.057,1174 3.862,1175 5.031,1176 3.83,1177 3.761,1178 3.804,1179 3.752,1180 3.649,1181 4.897,1182 3.647,1183 3.563,1184 3.609,1185 3.513,1186 3.356,1187 4.726,1188 3.369,1189 3.231,1190 3.27,1191 3.38,1192 3.169,1193 4.297,1194 3.12,1195 2.954,1196 2.98,1197 3.217,1198 2.987,1199 3.917,1200 2.891,1201 2.882,1202 2.934,1203 2.868,1204 2.786,1205 3.831,1206 2.768,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.737,1212 2.715,1213 0.156,1214 0.157,1215 0.219,1216 0.138,1217 0.106,1218 4.516,1219 0.154,1220 4.554,1221 0.102,1222 6.343,1223 0.338,1224 4.005,1225 0.1,1226 3.065,1227 4.453,1228 2.95,1229 9.802,1230 2.904,1231 1.955,1232 1.937,1233 2.008,1234 2.028,1235 1.16,1236 2.032,1237 1.875,1238 1.852,1239 1.981,1240 1.939,1241 1.064,1242 1.964,1243 1.641,1244 1.603,1245 1.733,1246 1.802,1247 0.75,1248 1.783,1249 1.525,1250 1.482,1251 1.715,1252 1.762,1253 0.736,1254 1.758,1255 1.196,1256 1.168,1257 1.25,1258 1.351,1259 0.432,1260 1.381,1261 0.962,1262 0.953,1263 1.181,1264 1.062,1265 0.246,1266 1.107,1267 0.886,1268 0.847,1269 1.074,1270 1.025,1271 0.218,1272 1.079,1273 0.882,1274 0.821,1275 1.06,1276 1.006,1277 0.128,1278 1.045,1279 4.078,1281 5.389,1282 2.398,1283 6.884,1284 4.727,1285 8.464,1286 6.823,1287 10.087,1289 1.477,1296 2.729,1298 1.532,1305 28.809,1306 68.864,1307 141.619,1308 172.838,1309 197.367,1310 200.122,1311 200.122,1312 32.544,1313 7.607,1314 67.77,1315 121.31,1316 23,1317 12.42,1318 4.585,1319 3.7,1320 38.165,1321 103,1322 98,1323 0.181,1324 184.685,1325 304.99,1326 442.392,1327 21656,1329 17.933,1330 0.69,1331 0.595,1332 18.64,1333 15.473,1334 12.67,1335 0.437,1336 0.329,1337 7.984,1338 11.431,1339 7.625,1340 6.339,1341 13.486,1342 9.551,1343 11.593,1344 0.29,1345 0.19,1346 12.957,1347 7.594,1348 9.139,1349 0.179,1350 0.105,1351 10.596,1352 5.374,1353 8.071,1354 0.117,1355 0.06,1356 9.797,1357 4.145,1358 6.466,1359 0.075,1360 0.033,1361 7.97,1362 2.797,1363 0.286,1364 86.44,1365 0.224,1366 25.352,1367 0.486,1368 138,1369 408.725,1370 201.678,1371 445.469,1372 616.25,1373 418,1374 160,1375 428.474,1376 211.024,1377 467.918,1378 684.29,1379 441,1380 7.398}
{0 CHEMBL1773584,1 1.695,2 12.185,3 4.39,4 19.276,5 110.616,6 9.129,7 0.733,8 3.874,9 3.968,10 3.706,11 3.583,12 5.038,13 3.517,14 4.342,15 4.47,16 4.108,17 3.938,18 5.521,19 3.852,20 4.498,21 4.662,22 4.043,23 4.003,24 5.596,25 3.881,26 4.487,27 4.678,28 4.017,29 3.956,30 5.542,31 3.802,32 4.372,33 4.543,34 3.896,35 3.856,36 5.438,37 3.725,38 4.345,39 4.529,40 3.824,41 3.801,42 5.447,43 3.687,44 4.271,45 4.437,46 3.816,47 3.736,48 5.415,49 3.621,50 4.255,51 4.473,52 3.551,53 3.623,54 5.249,55 3.496,56 0.022,57 0.615,58 6.436,59 3.687,60 5.358,61 4.145,62 0.192,63 1.058,64 16.048,65 6.587,66 16.728,67 7.326,68 0.201,69 1.173,70 19.171,71 8.17,72 32.18,73 8.498,74 0.243,75 1.202,76 23.994,77 9.114,78 28.238,79 9.577,80 0.154,81 1.085,82 23.148,83 8.326,84 17.176,85 8.394,86 0.163,87 1.038,88 19.002,89 7.339,90 20.583,91 7.871,92 0.179,93 0.945,94 17.935,95 6.65,96 24.407,97 6.715,98 0.164,99 0.896,100 15.033,101 6.275,102 21.761,103 7.789,104 7,105 41,106 0.289,107 0.616,108 0.759,109 0.857,110 0.868,111 0.868,112 3.34,113 1.016,114 -4.82,115 -4.73,116 -4.44,119 46.5,120 1,125 1,142 9,143 2,145 1,146 2,150 1,152 1,158 1,162 1,172 9,174 1,175 8,178 2,180 2,183 11,187 4,195 10,198 1,199 7,204 2,207 7,212 7,217 2,220 4,223 1,224 8,232 5,237 5,240 1,242 1,245 9,249 1,250 1,258 9,262 1,263 2,266 1,268 1,271 10,275 1187,276 18.463,277 18.463,278 18.463,279 18.463,280 18.463,281 15.735,282 12.118,283 11.137,284 19.049,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.794,291 14.27,292 5.392,293 15.915,294 3.731,295 1.817,296 0.978,297 0.407,298 0.343,299 0.343,300 4.041,304 1,305 1,306 717,307 3.082,310 62.894,311 249.827,314 110.399,318 2.058,319 18.509,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 57,331 329,332 4.516,333 4.436,334 6.343,335 4.004,336 3.064,337 4.453,338 3.272,339 9.801,340 2.904,341 4.186,342 3.536,343 6.073,344 3.725,345 2.804,346 3.817,347 1.907,348 8.905,349 2.578,350 3.904,351 3.079,352 5.407,353 3.512,354 2.543,355 3.446,356 0.149,357 7.141,358 2.479,359 3.73,360 3,361 5.274,362 3.314,363 2.368,364 3.145,366 6.748,367 2.255,368 3.577,369 2.68,370 5.209,371 3.15,372 2.224,373 2.844,375 6.477,376 2.004,377 3.191,378 2.228,379 4.467,380 2.688,381 1.747,382 2.4,384 4.452,385 1.6,386 3.024,387 2.101,388 4.381,389 2.504,390 1.546,391 2.276,393 4.383,394 1.48,395 2.941,396 1.596,397 4.234,398 2.449,399 1.507,400 2.114,402 3.813,403 1.397,404 2.852,405 1.516,406 3.636,407 2.36,408 1.395,409 2.003,411 3.131,412 1.329,413 2.593,414 1.399,415 3.484,416 2.037,417 1.103,418 1.637,420 2.55,421 1.026,422 2.5,423 1.116,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.904,431 1,432 3.165,433 1.446,434 0.602,435 0.714,436 1.406,437 0.494,438 1.821,439 0.59,440 3.079,441 1.313,442 0.41,443 0.609,445 1.079,446 0.364,447 1.107,448 0.493,449 2.651,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.941,457 0.405,458 2.509,459 0.525,460 -0.404,461 -0.51,463 -0.978,464 -0.366,465 13.6,466 0.504,467 0.588,468 0.022,469 39.75,470 1.472,471 22.5,472 0.833,473 17.25,474 0.639,475 19.603,476 0.726,477 26.6,478 0.619,479 25.992,480 0.963,481 7.516,482 0.278,483 5.653,484 0.209,485 0.061,487 0.294,493 0.721,494 1.053,495 0.688,496 0.784,497 0.606,498 0.776,499 0.523,500 1.133,501 0.916,502 1.085,503 0.548,504 0.922,505 1.314,506 1.005,507 1.051,508 0.927,509 1.324,510 0.972,511 0.842,512 0.994,513 1.187,514 1.085,515 0.646,516 0.986,517 0.981,518 1.199,519 1.404,520 1.3,521 0.714,522 1.045,523 0.97,524 1.037,525 1.101,526 1.035,527 0.68,528 0.967,529 1.206,530 1.037,531 0.923,532 0.964,533 1.289,534 1.051,535 0.775,536 0.878,537 0.698,538 0.796,539 0.774,540 0.966,541 5.5,542 0.12,543 2,544 1.417,545 1.067,546 0.837,547 0.356,548 0.367,549 0.204,550 0.11,551 9893,552 29146,553 2.142,554 37.2,556 11,558 1,559 1,560 3,564 1.697,565 2.051,566 3.582,567 -0.309,569 1,573 72.891,574 1.695,575 3.61,576 4.449,577 5.019,578 5.083,579 5.083,580 3.106,581 4.31,582 4.722,583 3.741,584 1313.04,585 8.18,586 17333.3,588 1,590 1,591 233.329,592 1.218,593 4.706,594 0.183,595 0.006,596 0.049,597 0.037,598 0.031,599 0.025,600 0.011,601 0.013,602 0.008,603 0.005,604 0.37,605 0.17,606 1,607 0.806,608 135.899,609 -0.046,610 -0.066,611 0.057,612 0.049,613 -0.069,614 0.034,615 0.3,616 -0.105,617 0.066,618 -0.108,619 0.122,620 -0.037,621 -0.247,622 -0.001,623 -0.079,624 0.045,625 -0.223,626 -0.049,627 0.026,628 0.047,629 -0.011,630 0.019,631 0.047,632 0.015,633 -0.098,634 -0.145,635 -0.179,636 -0.165,637 -0.009,638 -0.062,639 -0.063,640 -0.004,641 -0.09,642 -0.046,643 0.064,644 -0.016,645 -0.117,646 -0.039,647 -0.019,648 -0.044,649 -0.153,650 -0.14,651 0.037,652 0.046,653 0.089,654 0.058,655 -0.029,656 0.03,657 1.787,658 4.216,659 0.778,660 29.361,661 1.004,662 1.105,663 3.591,664 12.896,665 0.752,666 3.434,667 3.738,668 3.97,669 4.248,670 4.466,671 4.533,672 4.71,673 4.828,674 4.913,675 4.997,676 7.077,677 0.705,678 392.54,679 3.434,680 4.963,681 5.796,682 6.663,683 7.515,684 8.388,685 9.25,686 10.127,687 10.995,688 11.875,689 9.3,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,731 43,733 23,734 2,735 30,737 46,738 20,739 17,740 4,741 8,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,781 16,782 5,783 1,784 7,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 1,848 27,854 1,855 1,857 1,863 1,870 2.3,873 1,877 13.167,878 8.183,879 5.889,880 2.442,881 4.214,882 1.55,883 1.022,884 5.351,885 11.875,886 3.761,887 4.385,888 4.965,889 5.597,890 6.149,891 6.456,892 6.965,893 7.416,894 7.738,895 8.138,896 1,897 38,898 9.922,900 4.173,901 7.685,902 19.011,904 15.45,905 2.185,906 59,909 1,910 176.567,911 185.472,912 68.367,914 25.145,916 63.497,917 121.975,918 201.711,919 68.367,920 8.825,921 18.91,922 85.286,923 91.977,924 20.82,925 1.439,926 228.293,928 176.567,929 190.342,930 25.145,931 63.497,933 176.567,934 25.145,937 42.878,938 97.108,939 50.357,940 63.497,941 176.567,942 93.512,943 185.472,946 176.567,947 82.313,948 103.159,949 18.011,950 75.502,951 176.567,952 93.512,953 185.472,955 0.574,956 0.316,957 0.175,958 0.097,959 20,960 8,961 0.109,962 5,963 1,964 1.095,965 4.053,966 225.594,967 0.095,968 21,969 124.382,970 2,974 17.934,975 8.055,976 4.453,977 1.869,978 93.512,979 19.962,980 13.478,983 1.455,984 4.477,986 18.011,987 455.551,988 42,993 11.216,997 -0.12,999 43.189,1000 47.534,1001 0.312,1002 0.665,1003 0.82,1004 0.925,1005 0.937,1006 0.937,1007 4.966,1008 1.507,1009 5.759,1010 4.383,1011 4.419,1012 5.072,1013 3.349,1014 6.518,1015 4.294,1016 6.174,1017 1.395,1018 7.276,1019 3.813,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.72,1025 7.47,1026 1.103,1027 8.887,1028 3.131,1029 5.958,1030 7.291,1031 5.512,1032 10.342,1033 5.717,1034 8.8,1035 1,1036 10.554,1037 2.55,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.936,1043 10.159,1044 0.602,1045 12.258,1046 2.136,1047 7.76,1048 9.797,1049 7.829,1050 14.488,1051 7.409,1052 11.541,1053 0.41,1054 13.988,1055 1.406,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.017,1061 12.941,1062 -0.229,1063 15.736,1064 1.079,1065 9.716,1066 12.483,1067 10.185,1068 18.813,1069 9.255,1070 3.064,1071 -0.404,1072 17.5,1073 -0.63,1074 10.597,1075 13.707,1076 5.75,1077 20.933,1078 10.066,1079 2.804,1080 9.801,1081 19.275,1082 -0.978,1083 11.767,1084 15.283,1085 12.551,1086 23.234,1087 11.193,1088 2.543,1089 8.905,1090 21.059,1091 4.453,1092 12.754,1093 16.632,1094 7.068,1095 25.431,1096 12.112,1097 2.368,1098 7.141,1099 22.852,1100 3.817,1101 13.877,1102 18.153,1103 14.92,1104 27.706,1105 13.19,1106 2.224,1107 6.748,1108 24.65,1109 3.446,1110 14.919,1111 19.569,1112 8.374,1113 29.94,1114 14.168,1115 1.747,1116 6.477,1117 26.454,1118 3.145,1119 16.024,1120 21.066,1121 17.291,1122 32.208,1123 15.224,1124 1.546,1125 4.452,1126 28.263,1127 2.844,1128 17.094,1129 22.516,1130 9.674,1131 34.459,1132 16.235,1133 9332,1134 16190,1135 20.572,1136 32.341,1137 45.075,1138 47.891,1139 44.933,1140 44.564,1141 44.623,1142 61.919,1143 10.657,1144 124.045,1145 41.82,1146 5.34,1147 6.436,1148 6.145,1149 5.137,1150 5.064,1151 7.453,1152 6.545,1153 16.302,1154 4.904,1155 10.034,1156 1.503,1157 1.596,1158 1.498,1159 1.485,1160 1.487,1161 2.064,1162 0.355,1163 4.135,1164 1.394,1165 4.081,1166 4.099,1167 4.324,1168 4.064,1169 7.43,1170 4.026,1171 3.907,1172 3.936,1173 4.02,1174 3.865,1175 5.029,1176 3.845,1177 3.779,1178 3.82,1179 3.788,1180 3.672,1181 4.893,1182 3.664,1183 3.565,1184 3.611,1185 3.567,1186 3.368,1187 4.744,1188 3.372,1189 3.253,1190 3.288,1191 3.423,1192 3.22,1193 4.298,1194 3.152,1195 3.168,1196 3.219,1197 3.278,1198 3.115,1199 3.92,1200 3.055,1201 2.89,1202 2.942,1203 2.875,1204 2.797,1205 3.868,1206 2.779,1207 2.854,1208 2.925,1209 2.727,1210 2.735,1211 3.772,1212 2.715,1213 0.151,1214 0.148,1215 0.211,1216 0.133,1217 0.102,1218 4.516,1219 0.148,1220 4.436,1221 0.109,1222 6.343,1223 0.327,1224 4.004,1225 0.097,1226 3.064,1227 4.453,1228 3.272,1229 9.801,1230 2.904,1231 1.954,1232 1.936,1233 2.028,1234 2.028,1235 1.166,1236 2.033,1237 1.904,1238 1.878,1239 2.005,1240 1.976,1241 1.147,1242 1.997,1243 1.652,1244 1.616,1245 1.734,1246 1.806,1247 0.772,1248 1.79,1249 1.525,1250 1.482,1251 1.717,1252 1.764,1253 0.738,1254 1.759,1255 1.212,1256 1.174,1257 1.406,1258 1.354,1259 0.651,1260 1.395,1261 1.193,1262 1.167,1263 1.25,1264 1.323,1265 0.432,1266 1.377,1267 0.901,1268 0.872,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.011,1277 0.131,1278 1.045,1279 4.111,1281 5.416,1282 2.398,1283 6.905,1284 4.727,1285 8.477,1286 6.823,1287 10.093,1289 1.479,1295 0.832,1296 2.734,1298 1.617,1305 30.335,1306 72.891,1307 155.216,1308 191.29,1309 215.82,1310 218.574,1311 218.574,1312 35.153,1313 7.661,1314 67.77,1315 121.31,1316 23,1317 12.414,1318 4.585,1319 3.7,1320 40.39,1321 113,1322 112,1323 0.172,1324 194.278,1325 322.29,1326 465.797,1327 23862,1329 18.64,1330 0.69,1331 0.599,1332 19.347,1333 16.18,1334 13.17,1335 0.439,1336 0.339,1337 8.437,1338 11.937,1339 8.033,1340 6.68,1341 14.032,1342 10.158,1343 11.934,1344 0.291,1345 0.192,1346 13.18,1347 7.855,1348 9.455,1349 0.182,1350 0.109,1351 10.867,1352 5.678,1353 8.172,1354 0.118,1355 0.063,1356 9.805,1357 4.319,1358 6.565,1359 0.076,1360 0.034,1361 8.017,1362 2.958,1363 0.275,1364 89.899,1365 0.22,1366 26.358,1367 0.456,1368 142,1369 412.725,1370 202.338,1371 449.217,1372 618.57,1373 422,1374 164,1375 427.788,1376 213.354,1377 465.008,1378 679.05,1379 437,1380 7.328}
{0 CHEMBL1773585,1 1.722,2 11.462,3 3.825,4 14.633,5 99.337,6 9.061,7 0.759,8 3.823,9 3.913,10 3.607,11 3.461,12 5.04,13 3.441,14 4.28,15 4.401,16 4.009,17 3.805,18 5.55,19 3.77,20 4.441,21 4.597,22 3.916,23 3.835,24 5.612,25 3.78,26 4.368,27 4.535,28 3.893,29 3.758,30 5.537,31 3.694,32 4.294,33 4.457,34 3.788,35 3.699,36 5.462,37 3.649,38 4.279,39 4.447,40 3.721,41 3.689,42 5.439,43 3.627,44 4.217,45 4.378,46 3.634,47 3.6,48 5.381,49 3.535,50 4.16,51 4.37,52 3.39,53 3.477,54 5.218,55 3.38,56 0.058,57 0.585,58 5.557,59 3.327,60 5.601,61 3.47,62 0.28,63 0.952,64 11.507,65 5.416,66 19.055,67 6.026,68 0.322,69 1.066,70 17.462,71 7.017,72 37.096,73 6.758,74 0.297,75 1.002,76 16.572,77 6.684,78 27.15,79 6.893,80 0.261,81 0.982,82 17.254,83 6.042,84 21.71,85 5.776,86 0.231,87 0.919,88 13.436,89 5.774,90 21.203,91 6.184,92 0.236,93 0.839,94 13.55,95 5.623,96 24.177,97 6.014,98 0.221,99 0.778,100 12.504,101 5.47,102 22.842,103 6.862,104 7,105 40,106 0.298,107 0.612,108 0.747,109 0.853,110 0.865,111 0.865,112 3.304,113 0.904,114 -4.5,115 -4.42,116 -4.17,119 47.5,120 1,142 9,143 1,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 7,174 3,175 8,178 2,180 2,183 8,187 6,195 7,198 1,199 12,204 2,207 3,212 9,217 2,220 1,223 1,224 7,232 6,237 4,240 1,242 1,245 10,249 2,258 8,262 1,263 2,266 2,271 7,275 1026,276 17.756,277 17.756,278 17.756,279 17.756,280 17.756,281 15.028,282 13.309,283 10.689,284 18.275,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 10.337,291 17.898,292 5.186,293 15.336,294 3.6,295 1.781,296 1.001,297 0.388,298 0.319,299 0.319,300 4.005,303 1,304 1,305 1,306 651,307 2.915,310 59.122,311 232.614,314 103.887,318 1.882,319 21.28,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56,331 298,332 4.516,333 3.536,334 6.343,335 4.005,336 3.065,337 4.453,338 1.907,339 9.802,340 2.906,341 4.198,342 3.116,343 6.076,344 3.739,345 2.819,346 3.829,347 0.86,348 8.921,349 2.587,350 3.93,351 3.016,352 5.554,353 3.513,354 2.578,355 3.46,356 0.149,357 7.594,358 2.406,359 3.694,360 2.713,361 5.258,362 3.296,363 2.328,364 3.111,366 6.63,367 2.252,368 3.547,369 2.311,370 5.04,371 3.09,372 2.144,373 2.835,375 6.063,376 2.004,377 3.187,378 2.082,379 4.462,380 2.685,381 1.741,382 2.399,384 4.434,385 1.605,386 3.024,387 1.596,388 4.38,389 2.477,390 1.534,391 2.276,393 4.382,394 1.441,395 2.932,396 1.521,397 4.224,398 2.433,399 1.481,400 2.11,402 3.778,403 1.388,404 2.789,405 1.398,406 3.59,407 2.294,408 1.323,409 1.919,411 3.012,412 1.278,413 2.59,414 1.109,415 3.474,416 2.033,417 1.098,418 1.633,420 2.529,421 1.024,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.903,431 0.589,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.293,439 0.411,440 2.806,441 0.899,447 1.106,448 0.299,449 2.641,450 0.692,451 -0.23,452 -0.277,454 -0.632,455 -0.208,456 0.871,457 -0.019,458 2.508,459 0.422,460 -0.535,461 -0.717,463 -1.387,464 -0.508,465 12.6,466 0.485,467 0.588,468 0.023,469 39.75,470 1.529,471 22.5,472 0.865,473 17.25,474 0.663,475 16.808,476 0.646,477 25.8,478 0.645,479 26.78,480 1.03,481 7.803,482 0.3,483 4.867,484 0.187,485 0.066,487 0.317,493 0.788,494 1.145,495 0.663,496 0.868,497 0.642,498 0.792,499 0.565,500 1.037,501 0.737,502 0.973,503 0.53,504 0.887,505 1.461,506 1.033,507 1.147,508 0.967,509 1.376,510 0.934,511 1.073,512 1.098,513 1.006,514 1.025,515 0.699,516 0.951,517 1.244,518 1.136,519 1.36,520 1.152,521 0.877,522 0.949,523 1.05,524 0.978,525 0.987,526 0.949,527 0.757,528 0.993,529 1.024,530 1.049,531 1.02,532 1.144,533 1.234,534 1.13,535 0.627,536 0.914,537 0.767,538 0.91,539 0.741,540 1.072,541 5.5,542 0.127,543 1.778,544 1.667,545 0.987,546 0.726,547 0.514,548 0.296,549 0.167,550 0.128,551 8674,552 26473,553 2.148,554 35,556 9,558 1,559 1,560 3,564 1.688,565 2.053,566 3.504,567 -0.294,569 1,573 68.864,574 1.722,575 3.54,576 4.321,577 4.934,578 5.003,579 5.003,580 2.969,581 3.979,582 4.668,583 3.645,584 1184.59,585 8.077,586 14958.1,588 1,590 1,591 212.877,592 1.239,593 4.65,594 0.19,595 0.007,596 0.044,597 0.045,598 0.029,599 0.022,600 0.017,601 0.011,602 0.008,603 0.006,604 0.379,605 0.17,606 1,607 0.827,608 128.359,609 -0.065,610 -0.131,611 0.054,612 -0.006,613 -0.1,614 0.01,615 0.332,616 -0.005,617 0.144,618 -0.041,619 0.164,620 -0.031,621 -0.288,622 -0.025,623 -0.138,624 0.025,625 -0.245,626 -0.016,627 -0.043,628 -0.088,629 0.044,630 -0.009,631 0.051,633 -0.246,634 -0.044,635 -0.234,636 -0.104,637 -0.116,638 -0.034,639 -0.133,640 0.024,641 -0.099,642 -0.027,643 -0.015,644 -0.067,645 -0.06,646 -0.097,647 -0.104,648 -0.193,649 -0.158,650 -0.18,651 0.135,652 -0.005,653 0.06,654 -0.02,655 0.006,656 -0.039,657 1.803,658 4.191,659 0.808,660 26.065,661 1.014,662 1.11,663 3.266,664 10.664,665 0.735,666 3.401,667 3.714,668 3.951,669 4.248,670 4.466,671 4.543,672 4.727,673 4.852,674 4.92,675 5.017,676 6.655,677 0.708,678 362.44,679 3.401,680 4.934,681 5.771,682 6.645,683 7.501,684 8.38,685 9.245,686 10.128,687 10.999,688 11.884,689 10,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,729 1,731 40,733 23,734 2,735 29,737 43,738 19,739 17,740 4,741 8,746 4,747 5,752 1,761 18,762 1,766 1,771 1,775 1,778 1,781 14,782 6,783 1,784 7,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 26,855 1,856 1,863 1,870 5,873 1,875 1,877 12.667,878 7.683,879 5.639,880 2.275,881 4.247,882 1.558,883 1.022,884 4.59,885 11.854,886 3.738,887 4.373,888 4.958,889 5.608,890 6.168,891 6.494,892 7.018,893 7.487,894 7.808,895 8.227,896 0.875,897 37,898 9.53,900 4.027,901 7.776,902 17.99,904 14.471,905 2.276,906 59.167,909 1,910 153.024,911 158.103,912 68.367,914 36.145,916 31.278,917 126.826,918 189.169,919 68.367,920 8.825,921 18.011,922 85.286,923 91.977,924 33.878,925 5.132,926 172.531,928 153.024,929 195.193,930 36.145,931 31.278,933 153.024,934 36.145,937 45.671,938 99.166,939 50.357,940 31.278,941 153.024,942 104.512,943 158.103,946 153.024,947 54.945,948 103.159,949 18.011,950 86.501,951 153.024,952 104.512,953 158.103,955 0.576,956 0.316,957 0.179,958 0.099,959 20,960 8,961 0.093,962 4,963 1,964 1.095,965 3.928,966 217.464,967 0.095,968 21,969 118.211,970 1,974 16.615,975 7.183,976 3.89,977 1.799,978 104.512,979 18.741,980 13.04,983 1.424,984 3.234,986 18.011,987 415.64,988 41,993 11.191,997 -0.136,999 40.556,1000 44.408,1001 0.323,1002 0.665,1003 0.812,1004 0.927,1005 0.94,1006 0.94,1007 4.945,1008 1.481,1009 5.74,1010 4.382,1011 4.394,1012 5.059,1013 2.143,1014 6.509,1015 4.273,1016 6.16,1017 1.323,1018 7.262,1019 3.778,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.703,1025 7.459,1026 1.098,1027 8.878,1028 3.012,1029 5.943,1030 7.287,1031 2.962,1032 10.351,1033 5.697,1034 8.792,1035 1,1036 10.549,1037 2.529,1038 6.236,1039 7.848,1040 3.032,1041 11.934,1042 5.91,1043 10.154,1044 0.411,1045 12.256,1046 2.136,1047 7.754,1048 9.798,1049 4.052,1050 14.508,1051 7.386,1052 11.538,1054 13.989,1055 1.083,1056 8.441,1057 10.789,1058 4.409,1059 16.458,1060 7.99,1061 12.94,1062 -0.23,1063 15.741,1065 9.72,1066 12.486,1067 5.254,1068 18.836,1069 9.231,1070 3.065,1071 -0.535,1072 17.507,1073 -0.632,1074 10.609,1075 13.711,1076 5.75,1077 20.954,1078 10.04,1079 2.819,1080 9.802,1081 19.284,1082 -1.387,1083 11.779,1084 15.287,1085 6.502,1086 23.256,1087 11.171,1088 2.578,1089 8.921,1090 21.07,1091 4.453,1092 12.772,1093 16.637,1094 7.068,1095 25.452,1096 12.091,1097 2.328,1098 7.594,1099 22.864,1100 3.829,1101 13.895,1102 18.158,1103 7.771,1104 27.726,1105 13.171,1106 2.144,1107 6.63,1108 24.664,1109 3.46,1110 14.94,1111 19.574,1112 8.374,1113 29.958,1114 14.151,1115 1.741,1116 6.063,1117 26.469,1118 3.111,1119 16.045,1120 21.071,1121 9.051,1122 32.225,1123 15.21,1124 1.534,1125 4.434,1126 28.278,1127 2.835,1128 17.118,1129 22.521,1130 9.674,1131 34.474,1132 16.223,1133 8187,1134 14467,1135 19.879,1136 29.387,1137 43.689,1138 43.986,1139 43.51,1140 43.084,1141 43.043,1142 60.272,1143 5.832,1144 120.725,1145 40.511,1146 5.276,1147 5.536,1148 6.145,1149 5.129,1150 5.065,1151 7.453,1152 3.306,1153 16.309,1154 4.906,1155 9.739,1156 1.507,1157 1.517,1158 1.5,1159 1.486,1160 1.484,1161 2.078,1162 0.201,1163 4.163,1164 1.397,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.026,1171 3.899,1172 3.923,1173 3.875,1174 3.815,1175 5.103,1176 3.813,1177 3.762,1178 3.805,1179 3.75,1180 3.641,1181 4.94,1182 3.644,1183 3.564,1184 3.609,1185 3.491,1186 3.35,1187 4.754,1188 3.367,1189 3.234,1190 3.272,1191 3.337,1192 3.153,1193 4.32,1194 3.114,1195 2.989,1196 3.013,1197 2.942,1198 2.825,1199 4.154,1200 2.832,1201 2.884,1202 2.937,1203 2.842,1204 2.768,1205 3.914,1206 2.762,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.778,1212 2.715,1213 0.156,1214 0.122,1215 0.219,1216 0.138,1217 0.106,1218 4.516,1219 0.154,1220 3.536,1221 0.066,1222 6.343,1223 0.338,1224 4.005,1225 0.1,1226 3.065,1227 4.453,1228 1.907,1229 9.802,1230 2.906,1231 1.953,1232 1.936,1233 2.015,1234 2.044,1235 1.158,1236 2.037,1237 1.869,1238 1.845,1239 1.988,1240 1.96,1241 1.04,1242 1.971,1243 1.638,1244 1.6,1245 1.736,1246 1.807,1247 0.744,1248 1.787,1249 1.525,1250 1.482,1251 1.719,1252 1.766,1253 0.733,1254 1.759,1255 1.195,1256 1.168,1257 1.25,1258 1.352,1259 0.432,1260 1.381,1261 0.939,1262 0.921,1263 1.181,1264 1.146,1265 0.218,1266 1.129,1267 0.886,1268 0.839,1269 1.11,1270 1.062,1271 0.159,1272 1.107,1273 0.876,1274 0.821,1275 1.074,1276 1.009,1277 0.128,1278 1.045,1279 4.078,1281 5.389,1282 2.398,1283 6.884,1284 4.727,1285 8.464,1286 6.823,1287 10.087,1289 1.465,1296 2.713,1297 5.696,1305 28.336,1306 68.864,1307 141.619,1308 172.838,1309 197.367,1310 200.122,1311 200.122,1312 32.16,1313 7.607,1314 77,1315 105.24,1316 23,1317 12.42,1318 4.585,1319 3.7,1320 38.165,1321 103,1322 98,1323 0.181,1324 177.551,1325 295.27,1326 424.983,1327 21656,1329 17.933,1330 0.69,1331 0.564,1332 18.286,1333 14.656,1334 12.67,1335 0.437,1336 0.301,1337 7.885,1338 11.771,1339 7.625,1340 6.339,1341 13.078,1342 8.734,1343 11.593,1344 0.29,1345 0.164,1346 12.261,1347 6.553,1348 9.139,1349 0.179,1350 0.088,1351 9.873,1352 4.487,1353 8.071,1354 0.117,1355 0.049,1356 9.013,1357 3.384,1358 6.466,1359 0.075,1360 0.026,1361 7.212,1362 2.2,1363 0.286,1364 83.174,1365 0.224,1366 25.352,1367 0.486,1368 138,1369 437.6,1370 179.372,1371 445.469,1372 616.25,1373 418,1374 160,1375 449.004,1376 194.968,1377 467.918,1378 684.29,1379 441,1380 6.991}
{0 CHEMBL1773586,1 1.695,2 12.185,3 3.832,4 14.686,5 104.172,6 8.755,7 0.733,8 3.884,9 3.979,10 3.638,11 3.515,12 5.072,13 3.488,14 4.359,15 4.49,16 4.028,17 3.865,18 5.584,19 3.821,20 4.51,21 4.672,22 3.945,23 3.912,24 5.643,25 3.841,26 4.506,27 4.698,28 3.909,29 3.831,30 5.609,31 3.75,32 4.39,33 4.564,34 3.803,35 3.746,36 5.501,37 3.681,38 4.361,39 4.546,40 3.756,41 3.714,42 5.493,43 3.653,44 4.281,45 4.448,46 3.699,47 3.646,48 5.448,49 3.59,50 4.262,51 4.481,52 3.464,53 3.569,54 5.289,55 3.471,56 0.046,57 0.628,58 6.644,59 3.698,60 6.2,61 4.064,62 0.317,63 1.022,64 13.995,65 6.084,66 23.095,67 6.957,68 0.254,69 1.147,70 18.869,71 7.675,72 34.787,73 8.187,74 0.337,75 1.134,76 20.752,77 7.772,78 33.926,79 8.558,80 0.246,81 1.033,82 20.009,83 7.107,84 22.797,85 7.51,86 0.252,87 0.994,88 16.297,89 6.355,90 25.302,91 7.13,92 0.242,93 0.915,94 14.982,95 5.766,96 26.361,97 6.338,98 0.234,99 0.865,100 14.568,101 6.022,102 25.117,103 7.709,104 7,105 41,106 0.289,107 0.616,108 0.759,109 0.857,110 0.868,111 0.868,112 3.34,113 0.917,114 -4.46,115 -4.38,116 -4.13,119 46.5,120 1,125 1,142 9,143 2,145 1,146 2,150 1,152 1,158 1,162 1,172 9,174 3,175 7,178 2,180 2,183 10,187 6,195 8,198 1,199 11,204 2,207 3,212 10,217 2,220 1,223 1,224 9,232 4,237 6,240 1,242 1,245 8,249 2,258 9,262 1,263 2,266 2,271 10,275 1187,276 18.463,277 18.463,278 18.463,279 18.463,280 18.463,281 15.735,282 14.384,283 11.137,284 18.98,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.794,291 19.071,292 5.392,293 15.796,294 3.731,295 1.817,296 0.978,297 0.407,298 0.343,299 0.343,300 4.041,303 1,304 1,305 1,306 717,307 3.082,310 62.894,311 249.827,314 110.399,318 2.058,319 21.442,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58,331 329,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.905,341 4.186,342 3.085,343 6.073,344 3.729,345 2.804,346 3.817,347 1.151,348 8.905,349 2.584,350 3.904,351 2.982,352 5.407,353 3.519,354 2.543,355 3.446,356 0.149,357 7.141,358 2.492,359 3.73,360 2.741,361 5.274,362 3.317,363 2.368,364 3.145,366 6.748,367 2.258,368 3.577,369 2.488,370 5.209,371 3.166,372 2.224,373 2.844,375 6.477,376 2.056,377 3.191,378 2.103,379 4.467,380 2.691,381 1.747,382 2.4,384 4.452,385 1.611,386 3.024,387 1.688,388 4.381,389 2.51,390 1.546,391 2.276,393 4.383,394 1.49,395 2.941,396 1.528,397 4.234,398 2.449,399 1.507,400 2.114,402 3.813,403 1.399,404 2.852,405 1.477,406 3.636,407 2.365,408 1.395,409 2.003,411 3.131,412 1.342,413 2.593,414 1.12,415 3.484,416 2.037,417 1.103,418 1.637,420 2.55,421 1.027,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.904,431 0.956,432 3.165,433 1.492,434 0.602,435 0.714,436 1.406,437 0.53,438 1.821,439 0.589,440 3.079,441 1.313,442 0.41,443 0.609,445 1.079,446 0.364,447 1.107,448 0.41,449 2.651,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.941,457 -0.019,458 2.509,459 0.541,460 -0.404,461 -0.51,463 -0.978,464 -0.377,465 13.1,466 0.485,467 0.588,468 0.022,469 40.25,470 1.491,471 22.5,472 0.833,473 17.75,474 0.657,475 18.206,476 0.674,477 27.1,478 0.63,479 27.389,480 1.014,481 7.944,482 0.294,483 5.226,484 0.194,485 0.064,487 0.305,493 0.78,494 1.159,495 0.678,496 0.89,497 0.638,498 0.821,499 0.694,500 0.992,501 0.777,502 0.925,503 0.588,504 0.875,505 1.232,506 1.112,507 1.122,508 1.056,509 1.29,510 1.026,511 1.138,512 0.996,513 1.015,514 0.981,515 0.744,516 0.949,517 1.233,518 1.188,519 1.279,520 1.202,521 0.807,522 0.997,523 1.163,524 0.999,525 0.944,526 0.891,527 0.771,528 0.91,529 1.131,530 1.103,531 1.018,532 1.106,533 1.281,534 1.077,535 0.671,536 0.868,537 0.763,538 0.853,539 0.737,540 1.003,541 5.5,542 0.12,543 2,544 1.417,545 1.067,546 0.837,547 0.356,548 0.367,549 0.204,550 0.11,551 9893,552 29146,553 2.142,554 37.2,556 11,558 1,559 1,560 3,564 1.697,565 2.051,566 3.582,567 -0.309,569 1,573 72.891,574 1.695,575 3.61,576 4.449,577 5.019,578 5.083,579 5.083,580 3.106,581 4.31,582 4.722,583 3.741,584 1313.04,585 8.18,586 17333.3,588 1,590 1,591 233.329,592 1.218,593 4.706,594 0.183,595 0.006,596 0.049,597 0.037,598 0.031,599 0.025,600 0.011,601 0.013,602 0.008,603 0.005,604 0.37,605 0.17,606 1,607 0.806,608 135.899,609 -0.054,610 -0.128,611 0.058,612 -0.006,613 -0.084,614 0.011,615 0.275,616 0.044,617 0.121,618 0.022,619 0.127,620 0.002,621 -0.201,622 -0.1,623 -0.136,624 -0.069,625 -0.203,626 -0.099,627 -0.059,628 0.011,629 0.039,630 0.027,631 0.016,632 0.021,633 -0.162,634 -0.157,635 -0.143,636 -0.135,637 -0.041,638 -0.04,639 -0.134,640 0.017,641 -0.023,642 0.035,643 0.015,644 0.024,645 -0.097,646 -0.097,647 -0.108,648 -0.175,649 -0.168,650 -0.161,651 0.101,652 0.065,653 0.054,654 0.028,655 0.006,656 0.005,657 1.801,658 4.205,659 0.778,660 29.361,661 1.01,662 1.112,663 3.225,664 10.401,665 0.724,666 3.434,667 3.738,668 3.97,669 4.248,670 4.466,671 4.533,672 4.71,673 4.828,674 4.913,675 4.997,676 7.077,677 0.694,678 376.47,679 3.434,680 4.963,681 5.796,682 6.663,683 7.515,684 8.388,685 9.25,686 10.127,687 10.995,688 11.875,689 9.3,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,729 1,731 43,733 23,734 2,735 30,737 46,738 20,739 17,740 4,741 8,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,781 16,782 6,783 1,784 7,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 27,854 1,855 1,856 1,863 1,870 4.7,873 1,875 1,877 13.167,878 8.183,879 5.889,880 2.442,881 4.214,882 1.55,883 1.015,884 5.079,885 11.875,886 3.761,887 4.385,888 4.965,889 5.597,890 6.149,891 6.456,892 6.965,893 7.416,894 7.738,895 8.138,896 1,897 38,898 9.912,900 4.168,901 7.747,902 18.807,904 15.126,905 2.247,906 60.667,909 1,910 176.567,911 160.638,912 68.367,914 36.145,916 31.278,917 129.36,918 212.711,919 68.367,920 8.825,921 22.603,922 85.286,923 91.977,924 31.82,925 5.132,926 196.073,928 176.567,929 197.728,930 36.145,931 31.278,933 176.567,934 36.145,937 50.263,938 97.108,939 50.357,940 31.278,941 176.567,942 104.512,943 160.638,946 176.567,947 57.479,948 103.159,949 18.011,950 86.501,951 176.567,952 104.512,953 160.638,955 0.574,956 0.316,957 0.175,958 0.097,959 20,960 8,961 0.109,962 5,963 1,964 1.095,965 4.053,966 225.594,967 0.095,968 21,969 124.382,970 1,974 17.564,975 7.808,976 4.289,977 1.809,978 104.512,979 19.277,980 13.087,983 1.428,984 3.684,986 18.011,987 441.717,988 42,993 11.205,997 -0.134,999 43.44,1000 47.823,1001 0.312,1002 0.665,1003 0.82,1004 0.925,1005 0.937,1006 0.937,1007 4.966,1008 1.507,1009 5.759,1010 4.383,1011 4.419,1012 5.072,1013 2.272,1014 6.518,1015 4.306,1016 6.174,1017 1.395,1018 7.276,1019 3.813,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.732,1025 7.47,1026 1.103,1027 8.887,1028 3.131,1029 5.958,1030 7.291,1031 3.08,1032 10.342,1033 5.735,1034 8.8,1035 1,1036 10.554,1037 2.55,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.953,1043 10.159,1044 0.602,1045 12.258,1046 2.136,1047 7.76,1048 9.797,1049 4.116,1050 14.488,1051 7.429,1052 11.541,1053 0.41,1054 13.988,1055 1.406,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.036,1061 12.941,1062 -0.229,1063 15.736,1064 1.079,1065 9.716,1066 12.483,1067 5.282,1068 18.813,1069 9.275,1070 3.064,1071 -0.404,1072 17.5,1073 -0.63,1074 10.597,1075 13.707,1076 5.75,1077 20.933,1078 10.085,1079 2.804,1080 9.801,1081 19.275,1082 -0.978,1083 11.767,1084 15.283,1085 6.513,1086 23.234,1087 11.213,1088 2.543,1089 8.905,1090 21.059,1091 4.453,1092 12.754,1093 16.632,1094 7.068,1095 25.431,1096 12.132,1097 2.368,1098 7.141,1099 22.852,1100 3.817,1101 13.877,1102 18.153,1103 7.776,1104 27.706,1105 13.209,1106 2.224,1107 6.748,1108 24.65,1109 3.446,1110 14.919,1111 19.569,1112 8.374,1113 29.94,1114 14.186,1115 1.747,1116 6.477,1117 26.454,1118 3.145,1119 16.024,1120 21.066,1121 9.053,1122 32.208,1123 15.243,1124 1.546,1125 4.452,1126 28.263,1127 2.844,1128 17.094,1129 22.516,1130 9.674,1131 34.459,1132 16.253,1133 9332,1134 16190,1135 20.572,1136 31.148,1137 45.075,1138 45.543,1139 44.933,1140 44.576,1141 44.623,1142 61.919,1143 6.414,1144 124.045,1145 42.115,1146 5.34,1147 5.536,1148 6.145,1149 5.128,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.905,1155 10.034,1156 1.503,1157 1.518,1158 1.498,1159 1.486,1160 1.487,1161 2.064,1162 0.214,1163 4.135,1164 1.404,1165 4.082,1166 4.1,1167 4.323,1168 4.062,1169 7.43,1170 4.026,1171 3.912,1172 3.941,1173 3.867,1174 3.846,1175 5.087,1176 3.839,1177 3.784,1178 3.824,1179 3.784,1180 3.649,1181 4.932,1182 3.655,1183 3.566,1184 3.612,1185 3.496,1186 3.352,1187 4.75,1188 3.369,1189 3.27,1190 3.304,1191 3.343,1192 3.159,1193 4.358,1194 3.127,1195 3.181,1196 3.231,1197 3.091,1198 3.033,1199 4.226,1200 3.027,1201 2.89,1202 2.942,1203 2.875,1204 2.795,1205 3.914,1206 2.779,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.784,1212 2.715,1213 0.151,1214 0.118,1215 0.211,1216 0.133,1217 0.102,1218 4.516,1219 0.148,1220 3.536,1221 0.064,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.905,1231 1.953,1232 1.935,1233 2.035,1234 2.042,1235 1.159,1236 2.038,1237 1.902,1238 1.875,1239 2.005,1240 1.983,1241 1.132,1242 1.999,1243 1.647,1244 1.609,1245 1.74,1246 1.82,1247 0.747,1248 1.798,1249 1.525,1250 1.482,1251 1.722,1252 1.77,1253 0.735,1254 1.76,1255 1.199,1256 1.169,1257 1.449,1258 1.418,1259 0.606,1260 1.427,1261 1.185,1262 1.143,1263 1.25,1264 1.347,1265 0.432,1266 1.379,1267 0.901,1268 0.871,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.011,1277 0.13,1278 1.045,1279 4.111,1281 5.416,1282 2.398,1283 6.905,1284 4.727,1285 8.477,1286 6.823,1287 10.093,1289 1.468,1295 0.415,1296 2.718,1297 5.71,1305 29.863,1306 72.891,1307 155.216,1308 191.29,1309 215.82,1310 218.574,1311 218.574,1312 34.688,1313 7.661,1314 77,1315 105.24,1316 23,1317 12.414,1318 4.585,1319 3.7,1320 40.39,1321 113,1322 112,1323 0.172,1324 187.143,1325 312.57,1326 448.389,1327 23862,1329 18.64,1330 0.69,1331 0.569,1332 18.993,1333 15.363,1334 13.17,1335 0.439,1336 0.306,1337 8.317,1338 12.267,1339 8.033,1340 6.68,1341 13.578,1342 9.172,1343 11.934,1344 0.291,1345 0.169,1346 12.603,1347 6.912,1348 9.455,1349 0.182,1350 0.091,1351 10.19,1352 4.745,1353 8.172,1354 0.118,1355 0.051,1356 9.114,1357 3.532,1358 6.565,1359 0.076,1360 0.027,1361 7.311,1362 2.305,1363 0.275,1364 86.266,1365 0.22,1366 26.358,1367 0.456,1368 142,1369 441.6,1370 182.707,1371 449.217,1372 618.57,1373 422,1374 164,1375 443.186,1376 198.635,1377 465.008,1378 679.05,1379 437,1380 6.979}
{0 CHEMBL1773587,1 1.676,2 11.462,3 3.815,4 14.556,5 101.583,6 8.816,7 0.759,8 3.84,9 3.947,10 3.601,11 3.479,12 5.035,13 3.45,14 4.296,15 4.434,16 3.999,17 3.834,18 5.523,19 3.785,20 4.477,21 4.657,22 3.91,23 3.878,24 5.614,25 3.806,26 4.424,27 4.62,28 3.89,29 3.815,30 5.541,31 3.727,32 4.358,33 4.549,34 3.786,35 3.749,36 5.474,37 3.678,38 4.32,39 4.512,40 3.717,41 3.726,42 5.441,43 3.648,44 4.262,45 4.446,46 3.622,47 3.642,48 5.386,49 3.557,50 4.198,51 4.419,52 3.388,53 3.52,54 5.217,55 3.404,56 0.044,57 0.639,58 6.28,59 3.317,60 5.771,61 3.689,62 0.214,63 1.034,64 12.389,65 5.519,66 17.304,67 6.519,68 0.267,69 1.176,70 18.549,71 6.98,72 35.641,73 7.372,74 0.234,75 1.116,76 18.204,77 6.99,78 25.938,79 8.05,80 0.216,81 1.074,82 19.15,83 6.469,84 21.545,85 6.982,86 0.181,87 0.995,88 14.839,89 6.012,90 20.685,91 7.063,92 0.195,93 0.913,94 14.773,95 5.803,96 24.235,97 6.87,98 0.175,99 0.836,100 14.52,101 5.943,102 21.455,103 7.483,104 7,105 40,106 0.289,107 0.606,108 0.746,109 0.857,110 0.869,111 0.869,112 3.304,113 0.913,114 -4.5,115 -4.42,116 -4.17,119 46.3,120 1,142 9,143 1,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 7,174 1,175 6,178 4,180 4,183 8,187 4,192 2,195 7,198 1,199 9,204 5,207 3,212 7,217 4,220 1,223 1,224 6,229 1,232 6,237 3,240 1,242 2,245 10,249 1,253 1,258 8,262 1,263 2,266 1,267 1,271 7,275 1026,276 17.756,277 17.756,278 17.756,279 17.756,280 17.756,281 15.028,282 16.326,283 10.689,284 18.209,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 10.337,291 27.259,292 5.186,293 15.213,294 3.681,295 1.836,296 1.025,297 0.378,298 0.311,299 0.311,300 4.005,303 1,304 1,305 1,306 651,307 2.915,310 59.122,311 232.614,314 103.887,318 1.882,319 18.827,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55.5,331 298,332 4.516,333 3.536,334 6.343,335 4.006,336 3.065,337 4.453,338 1.907,339 9.802,340 2.908,341 4.198,342 3.064,343 6.076,344 3.747,345 2.819,346 3.829,347 0.4,348 8.921,349 2.605,350 3.93,351 2.886,352 5.554,353 3.537,354 2.578,355 3.46,356 0.149,357 7.594,358 2.47,359 3.694,360 2.659,361 5.258,362 3.297,363 2.328,364 3.111,366 6.63,367 2.253,368 3.547,369 2.257,370 5.04,371 3.1,372 2.144,373 2.835,375 6.063,376 2.034,377 3.187,378 2.064,379 4.462,380 2.688,381 1.741,382 2.399,384 4.434,385 1.612,386 3.024,387 1.557,388 4.38,389 2.483,390 1.534,391 2.276,393 4.382,394 1.455,395 2.932,396 1.516,397 4.224,398 2.436,399 1.481,400 2.11,402 3.778,403 1.389,404 2.789,405 1.361,406 3.59,407 2.301,408 1.323,409 1.919,411 3.012,412 1.289,413 2.59,414 1.106,415 3.474,416 2.034,417 1.098,418 1.633,420 2.529,421 1.025,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.903,431 0.589,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.293,439 0.41,440 2.806,441 0.94,447 1.106,448 0.151,449 2.641,450 0.692,451 -0.23,452 -0.277,454 -0.632,455 -0.208,456 0.871,457 -0.019,458 2.508,459 0.423,460 -0.535,461 -0.717,463 -1.387,464 -0.51,465 12.667,466 0.487,467 0.588,468 0.023,469 39.75,470 1.529,471 22.5,472 0.865,473 17.25,474 0.663,475 16.927,476 0.651,477 25.733,478 0.628,479 26.661,480 1.025,481 7.775,482 0.299,483 4.895,484 0.188,485 0.066,487 0.316,493 0.808,494 1.154,495 0.687,496 0.83,497 0.637,498 0.78,499 0.495,500 1.053,501 0.751,502 0.983,503 0.528,504 0.909,505 1.437,506 1.068,507 1.151,508 0.953,509 1.362,510 0.953,511 0.821,512 1.12,513 0.973,514 1.032,515 0.602,516 0.98,517 1.143,518 1.117,519 1.289,520 1.133,521 0.802,522 0.951,523 0.936,524 0.982,525 0.953,526 0.944,527 0.695,528 0.987,529 1.007,530 1.052,531 1.003,532 1.11,533 1.19,534 1.112,535 0.676,536 0.93,537 0.912,538 1.009,539 0.744,540 1.093,541 5.5,542 0.127,543 1.778,544 1.667,545 0.987,546 0.726,547 0.514,548 0.296,549 0.167,550 0.128,551 8674,552 25501,553 2.148,554 36.6,556 9,558 1,559 2,560 3,564 1.688,565 2.053,566 3.504,567 0.289,569 1,573 68.736,574 1.676,575 3.522,576 4.332,577 4.979,578 5.046,579 5.046,580 2.969,581 3.979,582 4.668,583 3.645,584 1184.59,585 8.077,586 14958.1,588 1,590 1,591 219.66,592 1.239,593 4.65,594 0.19,595 0.007,596 0.044,597 0.045,598 0.029,599 0.022,600 0.017,601 0.011,602 0.008,603 0.006,604 0.379,605 0.17,606 1,607 0.827,608 128.359,609 -0.091,610 -0.102,611 0.048,612 0.033,613 -0.102,614 0.034,615 0.337,616 -0.002,617 0.131,618 -0.052,619 0.14,620 -0.043,621 -0.315,622 -0.029,623 -0.156,624 0.02,625 -0.254,626 -0.04,627 0.046,628 -0.104,629 0.06,630 -0.028,631 0.085,632 -0.014,633 -0.195,634 -0.048,635 -0.167,636 -0.086,637 -0.073,638 -0.007,639 -0.086,640 0.018,641 -0.061,642 -0.02,643 0.018,644 -0.045,645 -0.046,646 -0.104,647 -0.084,648 -0.154,649 -0.126,650 -0.146,651 0.097,652 -0.022,653 -0.007,654 -0.061,655 -0.008,656 -0.059,657 1.795,658 4.198,659 0.808,660 26.065,661 1.008,662 1.115,663 3.266,664 10.664,665 0.73,666 3.401,667 3.714,668 3.951,669 4.248,670 4.466,671 4.543,672 4.727,673 4.852,674 4.92,675 5.017,676 6.655,677 0.699,678 361.46,679 3.401,680 4.934,681 5.771,682 6.645,683 7.501,684 8.38,685 9.245,686 10.128,687 10.999,688 11.884,689 12.2,696 1,697 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,724 1,731 41,733 23,734 2,735 29,737 44,738 19,739 17,740 4,741 8,746 4,747 5,752 1,761 18,762 1,766 1,771 1,775 1,778 1,781 15,782 6,783 2,784 7,785 1,790 5,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 26,855 2,863 1,870 2.4,873 1,877 12.667,878 7.767,879 5.639,880 2.317,881 4.247,882 1.558,883 1.034,884 4.59,885 11.854,886 3.738,887 4.373,888 4.958,889 5.608,890 6.168,891 6.494,892 7.018,893 7.487,894 7.808,895 8.227,896 0.875,897 37,898 9.53,900 4.024,901 7.737,902 18.088,904 14.623,905 2.237,906 58.167,909 1,910 153.024,911 153.13,912 86.378,914 25.145,916 31.278,917 121.852,918 178.169,919 86.378,920 8.825,921 18.011,922 85.286,923 91.977,924 38.402,925 2.645,926 172.531,928 153.024,929 208.23,930 25.145,931 31.278,933 153.024,934 25.145,937 61.195,938 96.679,939 50.357,940 31.278,941 153.024,942 111.523,943 153.13,946 153.024,947 49.971,948 103.159,949 36.022,950 75.502,951 153.024,952 111.523,953 153.13,955 0.576,956 0.316,957 0.179,958 0.099,959 20,960 8,961 0.091,962 4,963 1,964 1.095,965 3.928,966 217.464,967 0.095,968 21,969 118.211,970 1,974 16.615,975 7.183,976 3.89,977 1.835,978 111.523,979 19.307,980 13.275,983 1.439,984 3.849,986 36.022,987 417.677,988 41,993 11.198,997 -0.128,999 41.331,1000 45.697,1001 0.313,1002 0.657,1003 0.809,1004 0.929,1005 0.942,1006 0.942,1007 4.945,1008 1.481,1009 5.74,1010 4.382,1011 4.394,1012 5.059,1013 1.997,1014 6.509,1015 4.288,1016 6.16,1017 1.323,1018 7.262,1019 3.778,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.729,1025 7.459,1026 1.098,1027 8.878,1028 3.012,1029 5.943,1030 7.287,1031 2.907,1032 10.351,1033 5.726,1034 8.792,1035 1,1036 10.549,1037 2.529,1038 6.236,1039 7.848,1040 3.032,1041 11.934,1042 5.949,1043 10.154,1044 0.411,1045 12.256,1046 2.136,1047 7.754,1048 9.798,1049 4.038,1050 14.508,1051 7.427,1052 11.538,1054 13.989,1055 1.083,1056 8.441,1057 10.789,1058 4.409,1059 16.458,1060 8.036,1061 12.94,1062 -0.23,1063 15.741,1065 9.72,1066 12.486,1067 5.25,1068 18.836,1069 9.278,1070 3.065,1071 -0.535,1072 17.507,1073 -0.632,1074 10.609,1075 13.711,1076 5.75,1077 20.954,1078 10.091,1079 2.819,1080 9.802,1081 19.284,1082 -1.387,1083 11.779,1084 15.287,1085 6.501,1086 23.256,1087 11.22,1088 2.578,1089 8.921,1090 21.07,1091 4.453,1092 12.772,1093 16.637,1094 7.068,1095 25.452,1096 12.141,1097 2.328,1098 7.594,1099 22.864,1100 3.829,1101 13.895,1102 18.158,1103 7.771,1104 27.726,1105 13.22,1106 2.144,1107 6.63,1108 24.664,1109 3.46,1110 14.94,1111 19.574,1112 8.374,1113 29.958,1114 14.2,1115 1.741,1116 6.063,1117 26.469,1118 3.111,1119 16.045,1120 21.071,1121 9.051,1122 32.225,1123 15.258,1124 1.534,1125 4.434,1126 28.278,1127 2.835,1128 17.118,1129 22.521,1130 9.674,1131 34.474,1132 16.27,1133 8187,1134 14197,1135 19.879,1136 29.938,1137 43.689,1138 43.811,1139 43.51,1140 43.044,1141 43.043,1142 60.272,1143 4.912,1144 120.725,1145 40.812,1146 5.276,1147 5.536,1148 6.145,1149 5.128,1150 5.065,1151 7.453,1152 3.306,1153 16.309,1154 4.908,1155 9.739,1156 1.507,1157 1.511,1158 1.5,1159 1.484,1160 1.484,1161 2.078,1162 0.169,1163 4.163,1164 1.407,1165 4.084,1166 4.104,1167 4.323,1168 4.063,1169 7.43,1170 4.027,1171 3.912,1172 3.95,1173 3.885,1174 3.83,1175 5.053,1176 3.826,1177 3.763,1178 3.806,1179 3.75,1180 3.644,1181 4.916,1182 3.646,1183 3.564,1184 3.611,1185 3.492,1186 3.352,1187 4.739,1188 3.369,1189 3.242,1190 3.286,1191 3.339,1192 3.157,1193 4.302,1194 3.12,1195 3.059,1196 3.133,1197 2.98,1198 2.893,1199 3.983,1200 2.896,1201 2.885,1202 2.939,1203 2.854,1204 2.783,1205 3.911,1206 2.769,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.771,1212 2.715,1213 0.156,1214 0.122,1215 0.219,1216 0.138,1217 0.106,1218 4.516,1219 0.154,1220 3.536,1221 0.066,1222 6.343,1223 0.338,1224 4.006,1225 0.1,1226 3.065,1227 4.453,1228 1.907,1229 9.802,1230 2.908,1231 1.957,1232 1.937,1233 2.027,1234 2.055,1235 1.159,1236 2.049,1237 1.883,1238 1.853,1239 1.993,1240 1.969,1241 1.062,1242 1.982,1243 1.646,1244 1.604,1245 1.742,1246 1.811,1247 0.75,1248 1.794,1249 1.525,1250 1.482,1251 1.723,1252 1.768,1253 0.736,1254 1.76,1255 1.196,1256 1.168,1257 1.258,1258 1.356,1259 0.432,1260 1.383,1261 1.039,1262 0.979,1263 1.227,1264 1.26,1265 0.279,1266 1.264,1267 0.889,1268 0.851,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.009,1277 0.128,1278 1.045,1279 4.078,1281 5.389,1282 2.398,1283 6.884,1284 4.727,1285 8.464,1286 6.823,1287 10.087,1289 1.472,1296 5.92,1305 28.643,1306 68.736,1307 144.401,1308 177.621,1309 204.15,1310 206.905,1311 206.905,1312 31.768,1313 7.607,1314 79.8,1315 108.04,1316 23,1317 12.42,1318 4.585,1319 3.7,1320 38.165,1321 103,1322 98,1323 0.181,1324 180.349,1325 297.48,1326 431.811,1327 21656,1329 17.933,1330 0.69,1331 0.567,1332 18.286,1333 14.748,1334 12.67,1335 0.437,1336 0.304,1337 7.988,1338 11.827,1339 7.717,1340 6.424,1341 13.078,1342 8.826,1343 11.593,1344 0.29,1345 0.167,1346 12.261,1347 6.67,1348 9.139,1349 0.179,1350 0.09,1351 9.873,1352 4.586,1353 8.071,1354 0.117,1355 0.05,1356 9.013,1357 3.469,1358 6.466,1359 0.075,1360 0.026,1361 7.212,1362 2.267,1363 0.286,1364 82.766,1365 0.224,1366 25.352,1367 0.486,1368 138,1369 408.197,1370 177.108,1371 424.271,1372 588.81,1373 398,1374 160,1375 427.985,1376 192.979,1377 450.6,1378 656.99,1379 425,1380 5.215}
{0 CHEMBL1773588,1 1.652,2 12.185,3 3.657,4 13.376,5 107.903,6 8.534,7 0.733,8 3.9,9 4.011,10 3.632,11 3.532,12 5.067,13 3.497,14 4.372,15 4.522,16 4.021,17 3.891,18 5.559,19 3.835,20 4.555,21 4.741,22 3.937,23 3.948,24 5.65,25 3.862,26 4.535,27 4.746,28 3.901,29 3.882,30 5.598,31 3.779,32 4.455,33 4.66,34 3.799,35 3.807,36 5.508,37 3.716,38 4.419,39 4.632,40 3.754,41 3.764,42 5.503,43 3.682,44 4.335,45 4.527,46 3.688,47 3.69,48 5.457,49 3.612,50 4.297,51 4.525,52 3.463,53 3.609,54 5.288,55 3.493,56 0.034,57 0.68,58 7.349,59 3.678,60 6.123,61 4.283,62 0.23,63 1.108,64 14.654,65 6.112,66 19.704,67 7.472,68 0.234,69 1.249,70 20.797,71 7.888,72 35.711,73 8.989,74 0.264,75 1.232,76 21.426,77 7.775,78 30.896,79 9.331,80 0.187,81 1.15,82 21.782,83 7.5,84 21.431,85 8.801,86 0.195,87 1.091,88 18.002,89 6.714,90 24.507,91 8.278,92 0.205,93 0.995,94 16.533,95 6.04,96 26.897,97 7.35,98 0.189,99 0.921,100 16.485,101 6.48,102 23.273,103 8.317,104 7,105 41,106 0.281,107 0.619,108 0.766,109 0.86,110 0.871,111 0.871,112 3.34,113 0.928,114 -4.46,115 -4.38,116 -4.13,119 45.5,120 1,125 1,142 9,143 2,145 1,146 2,150 1,152 1,158 1,162 1,172 9,174 1,175 6,178 4,180 3,183 10,187 4,192 2,195 8,198 1,199 7,204 6,207 3,212 7,217 5,220 1,223 1,224 8,229 1,232 4,237 5,240 1,242 2,245 8,249 1,253 1,258 9,262 1,263 2,266 1,267 1,271 10,275 1187,276 18.463,277 18.463,278 18.463,279 18.463,280 18.463,281 15.735,282 16.552,283 11.137,284 18.915,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.794,291 25.607,292 5.392,293 15.686,294 3.808,295 1.821,296 0.955,297 0.398,298 0.335,299 0.335,300 4.041,303 1,304 1,305 1,306 717,307 3.082,310 62.894,311 249.827,314 110.399,318 2.058,319 19.348,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57.5,331 329,332 4.516,333 3.536,334 6.343,335 4.005,336 3.064,337 4.453,338 1.907,339 9.801,340 2.907,341 4.186,342 3.062,343 6.073,344 3.733,345 2.804,346 3.817,347 0.657,348 8.905,349 2.594,350 3.904,351 2.871,352 5.407,353 3.527,354 2.543,355 3.446,356 0.149,357 7.141,358 2.506,359 3.73,360 2.724,361 5.274,362 3.322,363 2.368,364 3.145,366 6.748,367 2.262,368 3.577,369 2.402,370 5.209,371 3.182,372 2.224,373 2.844,375 6.477,376 2.107,377 3.191,378 2.088,379 4.467,380 2.694,381 1.747,382 2.4,384 4.452,385 1.62,386 3.024,387 1.635,388 4.381,389 2.516,390 1.546,391 2.276,393 4.383,394 1.498,395 2.941,396 1.526,397 4.234,398 2.45,399 1.507,400 2.114,402 3.813,403 1.401,404 2.852,405 1.454,406 3.636,407 2.37,408 1.395,409 2.003,411 3.131,412 1.351,413 2.593,414 1.113,415 3.484,416 2.038,417 1.103,418 1.637,420 2.55,421 1.028,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.904,431 0.789,432 3.165,433 1.539,434 0.602,435 0.714,436 1.406,437 0.562,438 1.821,439 0.589,440 3.079,441 1.314,442 0.41,443 0.609,445 1.079,446 0.364,447 1.107,448 0.41,449 2.651,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.941,457 -0.019,458 2.509,459 0.557,460 -0.404,461 -0.51,463 -0.978,464 -0.386,465 13.167,466 0.488,467 0.588,468 0.022,469 40.25,470 1.491,471 22.5,472 0.833,473 17.75,474 0.657,475 18.334,476 0.679,477 27.033,478 0.614,479 27.261,480 1.01,481 7.906,482 0.293,483 5.264,484 0.195,485 0.063,487 0.304,493 0.801,494 1.168,495 0.702,496 0.855,497 0.631,498 0.81,499 0.549,500 0.998,501 0.778,502 0.953,503 0.547,504 0.902,505 1.314,506 1.106,507 1.117,508 1.003,509 1.302,510 1,511 0.905,512 1.064,513 1.009,514 1.004,515 0.667,516 0.994,517 0.988,518 1.19,519 1.217,520 1.184,521 0.705,522 1.01,523 0.972,524 0.999,525 0.903,526 0.894,527 0.68,528 0.918,529 1.124,530 1.089,531 0.991,532 1.061,533 1.226,534 1.05,535 0.737,536 0.886,537 0.897,538 0.946,539 0.745,540 1.027,541 5.5,542 0.12,543 2,544 1.417,545 1.067,546 0.837,547 0.356,548 0.367,549 0.204,550 0.11,551 9893,552 28132,553 2.142,554 38.6,556 11,558 1,559 2,560 3,564 1.697,565 2.051,566 3.582,567 0.267,569 1,573 72.68,574 1.652,575 3.639,576 4.504,577 5.061,578 5.124,579 5.124,580 3.106,581 4.31,582 4.722,583 3.741,584 1313.04,585 8.18,586 17333.3,588 1,590 1,591 240.215,592 1.218,593 4.706,594 0.183,595 0.006,596 0.049,597 0.037,598 0.031,599 0.025,600 0.011,601 0.013,602 0.008,603 0.005,604 0.37,605 0.17,606 1,607 0.806,608 135.899,609 -0.077,610 -0.101,611 0.053,612 0.03,613 -0.083,614 0.032,615 0.305,616 0.067,617 0.119,618 -0.011,619 0.13,620 -0.016,621 -0.242,622 -0.087,623 -0.127,624 -0.022,625 -0.212,626 -0.067,627 -0.003,628 -0.037,629 0.018,630 -0.013,631 0.028,632 -0.029,633 -0.092,634 -0.158,635 -0.1,636 -0.131,637 -0.006,638 -0.034,639 -0.063,640 0.012,641 0.016,642 0.031,643 0.055,644 0.035,645 -0.078,646 -0.097,647 -0.071,648 -0.123,649 -0.128,650 -0.111,651 0.06,652 0.044,653 -0.005,654 -0.01,655 -0.009,656 -0.015,657 1.792,658 4.212,659 0.778,660 29.361,661 1.005,662 1.116,663 3.225,664 10.401,665 0.72,666 3.434,667 3.738,668 3.97,669 4.248,670 4.466,671 4.533,672 4.71,673 4.828,674 4.913,675 4.997,676 7.077,677 0.686,678 375.49,679 3.434,680 4.963,681 5.796,682 6.663,683 7.515,684 8.388,685 9.25,686 10.127,687 10.995,688 11.875,689 11.4,694 1,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,724 1,731 44,733 23,734 2,735 30,737 47,738 20,739 17,740 4,741 8,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,781 17,782 6,783 2,784 7,785 1,790 5,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 27,854 1,855 2,863 1,870 2.3,873 1,877 13.167,878 8.267,879 5.889,880 2.504,881 4.214,882 1.55,883 1.026,884 5.079,885 11.875,886 3.761,887 4.385,888 4.965,889 5.597,890 6.149,891 6.456,892 6.965,893 7.416,894 7.738,895 8.138,896 1,897 38,898 9.911,900 4.166,901 7.71,902 18.905,904 15.282,905 2.21,906 59.667,909 1,910 176.567,911 155.665,912 86.378,914 25.145,916 31.278,917 124.387,918 201.711,919 86.378,920 8.825,921 20.116,922 85.286,923 109.988,924 20.82,925 2.645,926 196.073,928 176.567,929 210.765,930 25.145,931 31.278,933 176.567,934 25.145,937 45.29,938 97.108,939 68.367,940 31.278,941 176.567,942 111.523,943 155.665,946 176.567,947 52.506,948 103.159,949 36.022,950 75.502,951 176.567,952 111.523,953 155.665,955 0.574,956 0.316,957 0.175,958 0.097,959 20,960 8,961 0.106,962 5,963 1,964 1.095,965 4.053,966 225.594,967 0.095,968 21,969 124.382,970 1,974 17.564,975 7.808,976 4.289,977 1.845,978 111.523,979 19.688,980 13.322,983 1.444,984 4.16,986 36.022,987 443.754,988 42,993 11.212,997 -0.126,999 44.214,1000 49.112,1001 0.303,1002 0.666,1003 0.825,1004 0.927,1005 0.939,1006 0.939,1007 4.966,1008 1.507,1009 5.759,1010 4.383,1011 4.419,1012 5.072,1013 2.068,1014 6.518,1015 4.318,1016 6.174,1017 1.395,1018 7.276,1019 3.813,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.744,1025 7.47,1026 1.103,1027 8.887,1028 3.131,1029 5.958,1030 7.291,1031 2.924,1032 10.342,1033 5.755,1034 8.8,1035 1,1036 10.554,1037 2.55,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.971,1043 10.159,1044 0.602,1045 12.258,1046 2.136,1047 7.76,1048 9.797,1049 4.04,1050 14.488,1051 7.454,1052 11.541,1053 0.41,1054 13.988,1055 1.406,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.058,1061 12.941,1062 -0.229,1063 15.736,1064 1.079,1065 9.716,1066 12.483,1067 5.251,1068 18.813,1069 9.301,1070 3.064,1071 -0.404,1072 17.5,1073 -0.63,1074 10.597,1075 13.707,1076 5.75,1077 20.933,1078 10.109,1079 2.804,1080 9.801,1081 19.275,1082 -0.978,1083 11.767,1084 15.283,1085 6.501,1086 23.234,1087 11.239,1088 2.543,1089 8.905,1090 21.059,1091 4.453,1092 12.754,1093 16.632,1094 7.068,1095 25.431,1096 12.156,1097 2.368,1098 7.141,1099 22.852,1100 3.817,1101 13.877,1102 18.153,1103 7.771,1104 27.706,1105 13.234,1106 2.224,1107 6.748,1108 24.65,1109 3.446,1110 14.919,1111 19.569,1112 8.374,1113 29.94,1114 14.211,1115 1.747,1116 6.477,1117 26.454,1118 3.145,1119 16.024,1120 21.066,1121 9.051,1122 32.208,1123 15.268,1124 1.546,1125 4.452,1126 28.263,1127 2.844,1128 17.094,1129 22.516,1130 9.674,1131 34.459,1132 16.277,1133 9332,1134 15910,1135 20.572,1136 31.699,1137 45.075,1138 45.394,1139 44.933,1140 44.594,1141 44.623,1142 61.919,1143 5.427,1144 124.045,1145 42.401,1146 5.34,1147 5.536,1148 6.145,1149 5.127,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.907,1155 10.034,1156 1.503,1157 1.513,1158 1.498,1159 1.486,1160 1.487,1161 2.064,1162 0.181,1163 4.135,1164 1.413,1165 4.084,1166 4.104,1167 4.323,1168 4.063,1169 7.43,1170 4.026,1171 3.918,1172 3.955,1173 3.874,1174 3.852,1175 5.046,1176 3.844,1177 3.789,1178 3.835,1179 3.784,1180 3.656,1181 4.91,1182 3.662,1183 3.568,1184 3.615,1185 3.499,1186 3.356,1187 4.747,1188 3.372,1189 3.308,1190 3.377,1191 3.347,1192 3.172,1193 4.307,1194 3.151,1195 3.195,1196 3.247,1197 3.125,1198 3.078,1199 4.06,1200 3.056,1201 2.891,1202 2.943,1203 2.875,1204 2.796,1205 3.913,1206 2.78,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.782,1212 2.715,1213 0.151,1214 0.118,1215 0.211,1216 0.134,1217 0.102,1218 4.516,1219 0.148,1220 3.536,1221 0.064,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.907,1231 1.956,1232 1.936,1233 2.045,1234 2.052,1235 1.164,1236 2.049,1237 1.907,1238 1.878,1239 2.006,1240 1.986,1241 1.146,1242 2.002,1243 1.661,1244 1.618,1245 1.755,1246 1.831,1247 0.772,1248 1.814,1249 1.525,1250 1.482,1251 1.725,1252 1.772,1253 0.738,1254 1.762,1255 1.26,1256 1.188,1257 1.512,1258 1.481,1259 0.654,1260 1.497,1261 1.194,1262 1.168,1263 1.25,1264 1.348,1265 0.432,1266 1.38,1267 0.902,1268 0.872,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.014,1277 0.132,1278 1.045,1279 4.111,1281 5.416,1282 2.398,1283 6.905,1284 4.727,1285 8.477,1286 6.823,1287 10.093,1289 1.475,1295 0.665,1296 5.982,1305 30.17,1306 72.68,1307 160.102,1308 198.176,1309 222.705,1310 225.46,1311 225.46,1312 34.34,1313 7.661,1314 79.8,1315 108.04,1316 23,1317 12.414,1318 4.585,1319 3.7,1320 40.39,1321 113,1322 112,1323 0.172,1324 189.941,1325 314.78,1326 455.216,1327 23862,1329 18.64,1330 0.69,1331 0.572,1332 18.993,1333 15.455,1334 13.17,1335 0.439,1336 0.309,1337 8.441,1338 12.324,1339 8.153,1340 6.786,1341 13.578,1342 9.283,1343 11.934,1344 0.291,1345 0.171,1346 12.603,1347 7.018,1348 9.455,1349 0.182,1350 0.093,1351 10.19,1352 4.85,1353 8.172,1354 0.118,1355 0.052,1356 9.114,1357 3.621,1358 6.565,1359 0.076,1360 0.028,1361 7.311,1362 2.379,1363 0.275,1364 85.812,1365 0.22,1366 26.358,1367 0.456,1368 142,1369 412.197,1370 180.775,1371 428.132,1372 592.81,1373 402,1374 164,1375 427.421,1376 196.813,1377 450.862,1378 656.75,1379 425,1380 7.071}
{0 CHEMBL1773589,1 1.62,2 11.462,3 3.399,4 11.553,5 99.996,6 8.583,7 0.759,8 3.85,9 3.952,10 3.594,11 3.517,12 5.016,13 3.475,14 4.324,15 4.464,16 3.989,17 3.879,18 5.5,19 3.818,20 4.511,21 4.691,22 3.903,23 3.939,24 5.615,25 3.85,26 4.478,27 4.676,28 3.886,29 3.886,30 5.545,31 3.776,32 4.419,33 4.618,34 3.784,35 3.808,36 5.485,37 3.718,38 4.36,39 4.555,40 3.712,41 3.775,42 5.442,43 3.68,44 4.306,45 4.497,46 3.61,47 3.698,48 5.392,49 3.593,50 4.235,51 4.456,52 3.387,53 3.571,54 5.216,55 3.439,56 0.017,57 0.608,58 6.774,59 3.551,60 5.335,61 4.154,62 0.158,63 1.01,64 13.647,65 5.947,66 17.092,67 7.243,68 0.226,69 1.186,70 19.642,71 7.533,72 35.346,73 8.3,74 0.183,75 1.133,76 19.772,77 7.916,78 26.116,79 9.552,80 0.176,81 1.108,82 20.925,83 7.325,84 21.955,85 8.365,86 0.14,87 1.004,88 16.147,89 6.646,90 21.082,91 8.13,92 0.157,93 0.924,94 15.89,95 6.487,96 24.543,97 7.871,98 0.135,99 0.859,100 16.423,101 6.543,102 20.59,103 8.133,104 7,105 40,106 0.278,107 0.606,108 0.753,109 0.853,110 0.864,111 0.864,112 3.304,113 0.934,114 -4.55,115 -4.48,116 -4.21,119 47.6,120 1,121 1,142 9,143 2,145 1,146 2,149 1,152 1,158 1,162 1,172 10,174 1,175 8,178 2,180 2,183 12,187 6,195 10,198 1,199 9,204 2,207 6,212 7,217 2,220 5,223 1,224 6,232 9,237 3,240 1,242 1,245 12,249 1,250 1,258 9,262 1,263 3,266 1,268 1,271 7,275 1026,276 17.756,277 17.756,278 17.756,279 17.756,280 17.756,281 15.028,282 14.115,283 10.689,284 18.146,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 10.337,291 20.053,292 5.186,293 15.098,294 3.772,295 1.86,296 1.001,297 0.417,298 0.351,299 0.351,300 4.005,303 1,304 1,305 1,306 651,307 2.915,310 59.122,311 232.614,314 103.887,318 1.882,319 18.35,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 55,331 298,332 4.516,333 3.536,334 6.343,335 4.007,336 3.065,337 4.453,338 1.907,339 9.802,340 2.911,341 4.198,342 3.079,343 6.076,344 3.758,345 2.819,346 3.829,347 0.68,348 8.921,349 2.645,350 3.93,351 2.97,352 5.554,353 3.56,354 2.578,355 3.46,356 0.149,357 7.594,358 2.517,359 3.694,360 2.697,361 5.258,362 3.298,363 2.328,364 3.111,366 6.63,367 2.255,368 3.547,369 2.287,370 5.04,371 3.111,372 2.144,373 2.835,375 6.063,376 2.062,377 3.187,378 2.075,379 4.462,380 2.69,381 1.741,382 2.399,384 4.434,385 1.619,386 3.024,387 1.581,388 4.38,389 2.491,390 1.534,391 2.276,393 4.382,394 1.467,395 2.932,396 1.52,397 4.224,398 2.438,399 1.481,400 2.11,402 3.778,403 1.39,404 2.789,405 1.383,406 3.59,407 2.307,408 1.323,409 1.919,411 3.012,412 1.297,413 2.59,414 1.108,415 3.474,416 2.034,417 1.098,418 1.633,420 2.529,421 1.025,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.903,431 0.589,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.293,439 0.411,440 2.806,441 0.98,447 1.106,448 0.245,449 2.641,450 0.692,451 -0.23,452 -0.277,454 -0.632,455 -0.208,456 0.871,457 -0.019,458 2.508,459 0.425,460 -0.535,461 -0.717,463 -1.387,464 -0.511,465 12.767,466 0.491,467 0.588,468 0.023,469 38.75,470 1.49,471 22,472 0.846,473 16.75,474 0.644,475 17.805,476 0.685,477 25.633,478 0.61,479 25.784,480 0.992,481 7.557,482 0.291,483 5.113,484 0.197,485 0.065,487 0.313,493 0.714,494 1.106,495 0.689,496 0.841,497 0.604,498 0.804,499 0.53,500 1.096,501 0.758,502 0.975,503 0.55,504 0.905,505 1.432,506 0.996,507 1.16,508 0.945,509 1.358,510 0.97,511 0.669,512 1.1,513 0.949,514 1.056,515 0.555,516 1.018,517 1.043,518 1.094,519 1.231,520 1.118,521 0.75,522 0.958,523 0.845,524 0.967,525 0.925,526 0.948,527 0.657,528 0.989,529 0.981,530 0.991,531 0.99,532 1.051,533 1.139,534 1.084,535 0.736,536 0.993,537 1.046,538 1.083,539 0.745,540 1.095,541 5.5,542 0.127,543 1.778,544 1.667,545 0.987,546 0.726,547 0.514,548 0.296,549 0.167,550 0.128,551 8674,552 24529,553 2.148,554 38.1,556 9,558 1,559 1,560 5,564 1.688,565 2.053,566 3.504,567 -0.332,568 1,569 1,573 68.039,574 1.62,575 3.532,576 4.391,577 4.975,578 5.041,579 5.041,580 2.969,581 3.979,582 4.668,583 3.645,584 1184.59,585 8.077,586 14958.1,587 1,588 1,590 1,591 226.477,592 1.239,593 4.65,594 0.19,595 0.007,596 0.044,597 0.045,598 0.029,599 0.022,600 0.017,601 0.011,602 0.008,603 0.006,604 0.379,605 0.17,606 1,607 0.827,608 128.359,609 -0.04,610 -0.089,611 0.058,612 0.025,613 -0.067,614 0.027,615 0.276,616 -0.069,617 0.133,618 -0.043,619 0.113,620 -0.022,621 -0.306,622 0.043,623 -0.174,624 0.021,625 -0.255,626 -0.057,627 0.121,628 -0.111,629 0.069,630 -0.05,631 0.107,632 -0.035,633 -0.123,634 -0.04,635 -0.116,636 -0.076,637 -0.038,638 0.006,639 -0.028,640 0.022,641 -0.031,642 -0.02,643 0.044,644 -0.035,645 -0.032,646 -0.05,647 -0.069,648 -0.094,649 -0.095,650 -0.11,651 0.03,652 -0.063,653 -0.067,654 -0.089,655 -0.025,656 -0.065,657 1.786,658 4.204,659 0.808,660 26.065,661 1.003,662 1.11,663 3.323,664 11.043,665 0.731,666 3.401,667 3.714,668 3.951,669 4.248,670 4.466,671 4.543,672 4.727,673 4.852,674 4.92,675 5.017,676 6.655,677 0.694,678 360.47,679 3.401,680 4.934,681 5.771,682 6.645,683 7.501,684 8.38,685 9.245,686 10.128,687 10.999,688 11.884,689 9.5,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,731 42,733 23,734 2,735 29,737 45,738 20,739 17,740 4,741 8,746 4,747 5,752 1,758 1,761 18,762 2,766 1,771 1,775 1,777 1,778 1,781 16,782 5,783 1,784 6,785 1,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 26,854 1,855 1,863 1,870 2.4,873 1,877 12.667,878 8.017,879 5.639,880 2.442,881 4.247,882 1.558,883 1.028,884 4.616,885 11.854,886 3.738,887 4.373,888 4.958,889 5.608,890 6.168,891 6.494,892 7.018,893 7.487,894 7.808,895 8.227,896 0.875,897 37,898 9.554,900 4.038,901 7.699,902 18.272,904 14.908,905 2.199,906 57.167,909 1,910 176.567,911 156.522,912 68.367,914 25.145,916 31.278,917 125.245,918 201.711,919 68.367,920 8.825,921 20.545,922 85.286,923 91.977,924 23.148,925 0.746,926 196.073,928 176.567,929 193.612,930 25.145,931 31.278,933 178.894,934 25.145,937 43.82,938 97.108,939 50.357,940 31.278,941 176.567,942 93.512,943 156.522,946 176.567,947 53.363,948 103.159,949 18.011,950 75.502,951 176.567,952 93.512,953 156.522,955 0.576,956 0.316,957 0.179,958 0.099,959 20,960 8,961 0.089,962 4,963 1,964 1.095,965 3.928,966 217.464,967 0.095,968 21,969 118.211,970 1,974 16.652,975 7.207,976 3.906,977 1.871,978 93.512,979 19.873,980 13.509,983 1.455,984 4.464,986 18.011,987 426.601,988 41,993 11.204,997 -0.12,999 42.113,1000 46.614,1001 0.3,1002 0.655,1003 0.814,1004 0.923,1005 0.935,1006 0.935,1007 4.945,1008 1.481,1009 5.74,1010 4.382,1011 4.394,1012 5.059,1013 2.076,1014 6.509,1015 4.304,1016 6.16,1017 1.323,1018 7.262,1019 3.778,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.755,1025 7.459,1026 1.098,1027 8.878,1028 3.012,1029 5.943,1030 7.287,1031 2.927,1032 10.351,1033 5.759,1034 8.792,1035 1,1036 10.549,1037 2.529,1038 6.236,1039 7.848,1040 3.032,1041 11.934,1042 5.991,1043 10.154,1044 0.411,1045 12.256,1046 2.136,1047 7.754,1048 9.798,1049 4.041,1050 14.508,1051 7.474,1052 11.538,1054 13.989,1055 1.083,1056 8.441,1057 10.789,1058 4.409,1059 16.458,1060 8.091,1061 12.94,1062 -0.23,1063 15.741,1065 9.72,1066 12.486,1067 5.251,1068 18.836,1069 9.336,1070 3.065,1071 -0.535,1072 17.507,1073 -0.632,1074 10.609,1075 13.711,1076 5.75,1077 20.954,1078 10.153,1079 2.819,1080 9.802,1081 19.284,1082 -1.387,1083 11.779,1084 15.287,1085 6.501,1086 23.256,1087 11.286,1088 2.578,1089 8.921,1090 21.07,1091 4.453,1092 12.772,1093 16.637,1094 7.068,1095 25.452,1096 12.209,1097 2.328,1098 7.594,1099 22.864,1100 3.829,1101 13.895,1102 18.158,1103 7.771,1104 27.726,1105 13.29,1106 2.144,1107 6.63,1108 24.664,1109 3.46,1110 14.94,1111 19.574,1112 8.374,1113 29.958,1114 14.27,1115 1.741,1116 6.063,1117 26.469,1118 3.111,1119 16.045,1120 21.071,1121 9.051,1122 32.225,1123 15.329,1124 1.534,1125 4.434,1126 28.278,1127 2.835,1128 17.118,1129 22.521,1130 9.674,1131 34.474,1132 16.341,1133 8187,1134 13927,1135 19.879,1136 30.693,1137 43.689,1138 43.901,1139 43.51,1140 43.052,1141 43.043,1142 60.272,1143 5.472,1144 120.725,1145 41.106,1146 5.276,1147 5.536,1148 6.145,1149 5.128,1150 5.065,1151 7.453,1152 3.306,1153 16.309,1154 4.911,1155 9.739,1156 1.507,1157 1.514,1158 1.5,1159 1.485,1160 1.484,1161 2.078,1162 0.189,1163 4.163,1164 1.417,1165 4.086,1166 4.106,1167 4.324,1168 4.064,1169 7.43,1170 4.029,1171 3.928,1172 3.96,1173 3.897,1174 3.867,1175 5.035,1176 3.858,1177 3.765,1178 3.807,1179 3.75,1180 3.65,1181 4.901,1182 3.652,1183 3.566,1184 3.612,1185 3.494,1186 3.359,1187 4.73,1188 3.373,1189 3.261,1190 3.304,1191 3.342,1192 3.178,1193 4.298,1194 3.147,1195 3.129,1196 3.188,1197 3.026,1198 3.039,1199 3.92,1200 3.009,1201 2.886,1202 2.939,1203 2.86,1204 2.788,1205 3.869,1206 2.772,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.757,1212 2.715,1213 0.156,1214 0.122,1215 0.219,1216 0.138,1217 0.106,1218 4.516,1219 0.154,1220 3.536,1221 0.066,1222 6.343,1223 0.338,1224 4.007,1225 0.1,1226 3.065,1227 4.453,1228 1.907,1229 9.802,1230 2.911,1231 1.969,1232 1.947,1233 2.059,1234 2.061,1235 1.19,1236 2.061,1237 1.904,1238 1.879,1239 1.997,1240 1.973,1241 1.141,1242 1.989,1243 1.659,1244 1.618,1245 1.761,1246 1.813,1247 0.808,1248 1.8,1249 1.525,1250 1.482,1251 1.726,1252 1.769,1253 0.738,1254 1.761,1255 1.207,1256 1.169,1257 1.445,1258 1.37,1259 0.609,1260 1.397,1261 1.185,1262 1.144,1263 1.248,1264 1.323,1265 0.431,1266 1.365,1267 0.892,1268 0.859,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.01,1277 0.129,1278 1.045,1279 4.078,1281 5.389,1282 2.398,1283 6.884,1284 4.727,1285 8.464,1286 6.823,1287 10.087,1289 1.479,1295 0.699,1296 2.733,1305 29.148,1306 68.039,1307 148.364,1308 184.438,1309 208.968,1310 211.722,1311 211.722,1312 33.403,1313 7.607,1314 67.77,1315 96.01,1316 23,1317 12.42,1318 4.585,1319 3.7,1320 38.165,1321 103,1322 98,1323 0.181,1324 183.147,1325 303.78,1326 438.638,1327 21656,1329 17.933,1330 0.69,1331 0.575,1332 18.286,1333 14.955,1334 12.67,1335 0.437,1336 0.311,1337 8.211,1338 11.888,1339 7.912,1340 6.575,1341 13.078,1342 9.033,1343 11.593,1344 0.29,1345 0.173,1346 12.261,1347 6.934,1348 9.139,1349 0.179,1350 0.094,1351 9.873,1352 4.811,1353 8.071,1354 0.117,1355 0.053,1356 9.013,1357 3.663,1358 6.466,1359 0.075,1360 0.028,1361 7.212,1362 2.418,1363 0.286,1364 82.358,1365 0.224,1366 25.352,1367 0.486,1368 138,1369 393.864,1370 174.943,1371 411.078,1372 569.53,1373 386,1374 160,1375 409.731,1376 190.981,1377 433.555,1378 631.29,1379 409,1380 6.218}
{0 CHEMBL1773590,1 1.596,2 12.185,3 3.855,4 14.862,5 104.597,6 8.322,7 0.733,8 3.909,9 4.016,10 3.625,11 3.568,12 5.05,13 3.521,14 4.396,15 4.545,16 4.013,17 3.932,18 5.537,19 3.863,20 4.599,21 4.792,22 3.93,23 3.998,24 5.657,25 3.898,26 4.563,27 4.769,28 3.894,29 3.95,30 5.587,31 3.828,32 4.517,33 4.727,34 3.795,35 3.882,36 5.515,37 3.768,38 4.474,39 4.692,40 3.751,41 3.826,42 5.512,43 3.723,44 4.387,45 4.588,46 3.677,47 3.747,48 5.467,49 3.648,50 4.33,51 4.558,52 3.462,53 3.655,54 5.288,55 3.525,56 0.01,57 0.65,58 7.832,59 3.929,60 5.407,61 4.748,62 0.155,63 1.082,64 15.679,65 6.621,66 18.408,67 8.319,68 0.221,69 1.28,70 22.611,71 8.484,72 36.515,73 9.931,74 0.206,75 1.231,76 22.121,77 8.548,78 29.26,79 10.538,80 0.137,81 1.183,82 23.457,83 8.572,84 21.007,85 10.444,86 0.146,87 1.12,88 19.602,89 7.637,90 24.775,91 9.711,92 0.17,93 1.018,94 17.945,95 6.861,96 27.495,97 8.504,98 0.148,99 0.946,100 18.3,101 7.076,102 21.912,103 8.96,104 7,105 41,106 0.27,107 0.598,108 0.749,109 0.856,110 0.867,111 0.867,112 3.34,113 0.953,114 -4.78,115 -4.69,116 -4.4,119 46.7,120 1,121 2,142 9,143 2,145 1,146 2,149 1,152 1,158 1,162 1,172 11,174 1,175 8,178 2,180 2,183 13,187 6,195 12,198 1,199 7,204 2,207 8,212 7,217 2,220 6,223 1,224 8,232 7,237 5,240 1,242 1,245 10,249 1,250 1,258 10,262 1,263 3,266 1,268 1,271 10,275 1187,276 18.463,277 18.463,278 18.463,279 18.463,280 18.463,281 15.735,282 12.548,283 11.137,284 18.854,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.794,291 12.7,292 5.392,293 15.584,294 3.895,295 1.959,296 1.068,297 0.434,298 0.372,299 0.372,300 4.041,303 1,304 1,305 1,306 717,307 3.082,310 62.894,311 249.827,314 110.399,318 2.058,319 18.856,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 57,331 329,332 4.516,333 3.536,334 6.343,335 4.006,336 3.064,337 4.453,338 1.907,339 9.801,340 2.91,341 4.186,342 3.065,343 6.073,344 3.739,345 2.804,346 3.817,347 0.149,348 8.905,349 2.61,350 3.904,351 2.882,352 5.407,353 3.535,354 2.543,355 3.446,357 7.141,358 2.52,359 3.73,360 2.708,361 5.274,362 3.327,363 2.368,364 3.145,366 6.748,367 2.269,368 3.577,369 2.449,370 5.209,371 3.197,372 2.224,373 2.844,375 6.477,376 2.152,377 3.191,378 2.093,379 4.467,380 2.698,381 1.747,382 2.4,384 4.452,385 1.629,386 3.024,387 1.609,388 4.381,389 2.523,390 1.546,391 2.276,393 4.383,394 1.506,395 2.941,396 1.527,397 4.234,398 2.45,399 1.507,400 2.114,402 3.813,403 1.403,404 2.852,405 1.468,406 3.636,407 2.375,408 1.395,409 2.003,411 3.131,412 1.357,413 2.593,414 1.112,415 3.484,416 2.039,417 1.103,418 1.637,420 2.55,421 1.029,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.904,431 0.653,432 3.165,433 1.585,434 0.602,435 0.714,436 1.406,437 0.591,438 1.821,439 0.589,440 3.079,441 1.314,442 0.41,443 0.609,445 1.079,446 0.364,447 1.107,448 0.41,449 2.651,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.941,457 -0.019,458 2.509,459 0.574,460 -0.404,461 -0.51,463 -0.978,464 -0.394,465 13.267,466 0.491,467 0.588,468 0.022,469 39.25,470 1.454,471 22,472 0.815,473 17.25,474 0.639,475 19.474,476 0.721,477 26.933,478 0.599,479 26.121,480 0.967,481 7.557,482 0.28,483 5.613,484 0.208,485 0.063,487 0.302,493 0.711,494 1.121,495 0.705,496 0.865,497 0.597,498 0.832,499 0.526,500 1.11,501 0.773,502 0.993,503 0.539,504 0.932,505 1.37,506 0.984,507 1.114,508 0.932,509 1.305,510 0.955,511 0.769,512 1.037,513 1.008,514 1.042,515 0.637,516 1.045,517 0.834,518 1.153,519 1.168,520 1.182,521 0.652,522 1.033,523 0.838,524 0.996,525 0.871,526 0.917,527 0.627,528 0.941,529 1.095,530 1.017,531 0.969,532 0.997,533 1.166,534 1.016,535 0.802,536 0.945,537 1.023,538 1.016,539 0.749,540 1.032,541 5.5,542 0.12,543 2,544 1.417,545 1.067,546 0.837,547 0.356,548 0.367,549 0.204,550 0.11,551 9893,552 27118,553 2.142,554 40,555 2,556 9,558 1,559 1,560 5,564 1.697,565 2.051,566 3.582,567 -0.346,569 1,573 71.836,574 1.596,575 3.533,576 4.424,577 5.058,578 5.12,579 5.12,580 3.106,581 4.31,582 4.722,583 3.741,584 1313.04,585 8.18,586 17333.3,588 1,590 1,591 247.133,592 1.218,593 4.706,594 0.183,595 0.006,596 0.049,597 0.037,598 0.031,599 0.025,600 0.011,601 0.013,602 0.008,603 0.005,604 0.37,605 0.17,606 1,607 0.806,608 135.899,609 -0.031,610 -0.087,611 0.061,612 0.025,613 -0.05,614 0.026,615 0.28,616 -0.078,617 0.129,618 -0.047,619 0.128,620 -0.027,621 -0.258,622 0.046,623 -0.121,624 0.04,625 -0.217,626 -0.021,627 0.051,628 -0.03,629 -0.002,630 -0.047,631 0.034,632 -0.072,633 -0.019,634 -0.151,635 -0.07,636 -0.13,637 0.017,638 -0.037,639 0.013,640 -0.005,641 0.044,642 0.017,643 0.085,644 0.03,645 -0.055,646 -0.033,647 -0.044,648 -0.055,649 -0.091,650 -0.063,651 -0.003,652 0.008,653 -0.06,654 -0.038,655 -0.026,656 -0.024,657 1.784,658 4.219,659 0.778,660 29.361,661 1,662 1.112,663 3.546,664 12.575,665 0.721,666 3.434,667 3.738,668 3.97,669 4.248,670 4.466,671 4.533,672 4.71,673 4.828,674 4.913,675 4.997,676 7.077,677 0.682,678 374.5,679 3.434,680 4.963,681 5.796,682 6.663,683 7.515,684 8.388,685 9.25,686 10.127,687 10.995,688 11.875,689 8.9,696 1,699 3,703 2,704 10,705 3,708 1,709 5,711 22,731 45,733 23,734 2,735 30,737 48,738 21,739 17,740 4,741 8,746 4,747 5,752 1,758 2,761 18,762 3,766 1,771 1,775 1,778 1,781 18,782 5,783 1,784 6,785 1,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 27,854 2,855 1,863 1,870 2.2,873 1,877 13.167,878 8.517,879 5.889,880 2.692,881 4.214,882 1.55,883 1.021,884 5.106,885 11.875,886 3.761,887 4.385,888 4.965,889 5.597,890 6.149,891 6.456,892 6.965,893 7.416,894 7.738,895 8.138,896 1,897 38,898 9.933,900 4.18,901 7.673,902 19.089,904 15.574,905 2.173,906 58.667,909 1,910 200.109,911 159.057,912 68.367,914 25.145,916 31.278,917 127.779,918 225.254,919 68.367,920 8.825,921 23.08,922 85.286,923 91.977,924 23.148,925 0.746,926 219.615,928 200.109,929 196.146,930 25.145,931 31.278,933 202.437,934 25.145,937 46.354,938 97.108,939 50.357,940 31.278,941 200.109,942 93.512,943 159.057,946 200.109,947 55.898,948 103.159,949 18.011,950 75.502,951 200.109,952 93.512,953 159.057,955 0.574,956 0.316,957 0.175,958 0.097,959 20,960 8,961 0.104,962 5,963 1,964 1.095,965 4.053,966 225.594,967 0.095,968 21,969 124.382,970 1,974 17.601,975 7.832,976 4.305,977 1.881,978 93.512,979 20.099,980 13.556,983 1.46,984 4.636,986 18.011,987 452.678,988 42,993 11.219,997 -0.117,999 44.996,1000 50.029,1001 0.291,1002 0.643,1003 0.806,1004 0.921,1005 0.932,1006 0.932,1007 4.966,1008 1.507,1009 5.759,1010 4.383,1011 4.419,1012 5.072,1013 1.953,1014 6.518,1015 4.33,1016 6.174,1017 1.395,1018 7.276,1019 3.813,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.755,1025 7.47,1026 1.103,1027 8.887,1028 3.131,1029 5.958,1030 7.291,1031 2.904,1032 10.342,1033 5.778,1034 8.8,1035 1,1036 10.554,1037 2.55,1038 6.236,1039 7.848,1040 3.032,1041 11.923,1042 5.991,1043 10.159,1044 0.602,1045 12.258,1046 2.136,1047 7.76,1048 9.797,1049 4.037,1050 14.488,1051 7.483,1052 11.541,1053 0.41,1054 13.988,1055 1.406,1056 8.435,1057 10.786,1058 4.409,1059 16.439,1060 8.084,1061 12.941,1062 -0.229,1063 15.736,1064 1.079,1065 9.716,1066 12.483,1067 5.25,1068 18.813,1069 9.333,1070 3.064,1071 -0.404,1072 17.5,1073 -0.63,1074 10.597,1075 13.707,1076 5.75,1077 20.933,1078 10.138,1079 2.804,1080 9.801,1081 19.275,1082 -0.978,1083 11.767,1084 15.283,1085 6.501,1086 23.234,1087 11.272,1088 2.543,1089 8.905,1090 21.059,1091 4.453,1092 12.754,1093 16.632,1094 7.068,1095 25.431,1096 12.187,1097 2.368,1098 7.141,1099 22.852,1100 3.817,1101 13.877,1102 18.153,1103 7.771,1104 27.706,1105 13.268,1106 2.224,1107 6.748,1108 24.65,1109 3.446,1110 14.919,1111 19.569,1112 8.374,1113 29.94,1114 14.243,1115 1.747,1116 6.477,1117 26.454,1118 3.145,1119 16.024,1120 21.066,1121 9.051,1122 32.208,1123 15.301,1124 1.546,1125 4.452,1126 28.263,1127 2.844,1128 17.094,1129 22.516,1130 9.674,1131 34.459,1132 16.309,1133 9332,1134 15630,1135 20.572,1136 32.455,1137 45.075,1138 45.309,1139 44.933,1140 44.616,1141 44.623,1142 61.919,1143 4.112,1144 124.045,1145 42.68,1146 5.34,1147 5.536,1148 6.145,1149 5.127,1150 5.064,1151 7.453,1152 3.306,1153 16.302,1154 4.91,1155 10.034,1156 1.503,1157 1.51,1158 1.498,1159 1.487,1160 1.487,1161 2.064,1162 0.137,1163 4.135,1164 1.423,1165 4.086,1166 4.106,1167 4.324,1168 4.064,1169 7.43,1170 4.028,1171 3.928,1172 3.961,1173 3.882,1174 3.868,1175 5.032,1176 3.858,1177 3.796,1178 3.839,1179 3.785,1180 3.676,1181 4.897,1182 3.679,1183 3.571,1184 3.617,1185 3.503,1186 3.375,1187 4.745,1188 3.382,1189 3.361,1190 3.418,1191 3.353,1192 3.246,1193 4.299,1194 3.232,1195 3.203,1196 3.25,1197 3.162,1198 3.123,1199 3.943,1200 3.08,1201 2.892,1202 2.944,1203 2.875,1204 2.798,1205 3.907,1206 2.781,1207 2.854,1208 2.925,1209 2.688,1210 2.735,1211 3.779,1212 2.715,1213 0.151,1214 0.118,1215 0.211,1216 0.134,1217 0.102,1218 4.516,1219 0.148,1220 3.536,1221 0.064,1222 6.343,1223 0.327,1224 4.006,1225 0.097,1226 3.064,1227 4.453,1228 1.907,1229 9.801,1230 2.91,1231 1.965,1232 1.943,1233 2.068,1234 2.058,1235 1.25,1236 2.06,1237 1.915,1238 1.888,1239 2.006,1240 1.988,1241 1.155,1242 2.004,1243 1.691,1244 1.649,1245 1.807,1246 1.838,1247 0.926,1248 1.831,1249 1.525,1250 1.482,1251 1.727,1252 1.773,1253 0.739,1254 1.762,1255 1.365,1256 1.308,1257 1.601,1258 1.521,1259 0.7,1260 1.555,1261 1.195,1262 1.168,1263 1.25,1264 1.348,1265 0.432,1266 1.38,1267 0.906,1268 0.875,1269 1.181,1270 1.062,1271 0.282,1272 1.107,1273 0.886,1274 0.821,1275 1.118,1276 1.026,1277 0.218,1278 1.058,1279 4.111,1281 5.416,1282 2.398,1283 6.905,1284 4.727,1285 8.477,1286 6.823,1287 10.093,1289 1.482,1295 1.714,1296 2.738,1305 30.675,1306 71.836,1307 158.978,1308 199.094,1309 227.624,1310 230.379,1311 230.379,1312 36.025,1313 7.661,1314 67.77,1315 96.01,1316 23,1317 12.414,1318 4.585,1319 3.7,1320 40.39,1321 113,1322 112,1323 0.172,1324 192.739,1325 321.08,1326 462.043,1327 23862,1329 18.64,1330 0.69,1331 0.58,1332 18.993,1333 15.662,1334 13.17,1335 0.439,1336 0.318,1337 8.711,1338 12.388,1339 8.406,1340 6.98,1341 13.578,1342 9.533,1343 11.934,1344 0.291,1345 0.177,1346 12.603,1347 7.257,1348 9.455,1349 0.182,1350 0.098,1351 10.19,1352 5.086,1353 8.172,1354 0.118,1355 0.055,1356 9.114,1357 3.82,1358 6.565,1359 0.076,1360 0.03,1361 7.311,1362 2.544,1363 0.275,1364 85.358,1365 0.22,1366 26.358,1367 0.456,1368 142,1369 397.864,1370 178.943,1371 415.065,1372 575.21,1373 390,1374 164,1375 413.731,1376 194.981,1377 437.236,1378 636.05,1379 413,1380 5.996}
{0 CHEMBL1773591,1 1.852,2 11.556,3 4.589,4 21.059,5 105.997,6 9.912,7 0.733,8 3.823,9 3.908,10 3.714,11 3.531,12 5.069,13 3.482,14 4.279,15 4.393,16 4.157,17 3.885,18 5.575,19 3.824,20 4.448,21 4.593,22 4.142,23 3.946,24 5.716,25 3.856,26 4.374,27 4.53,28 4.037,29 3.863,30 5.623,31 3.76,32 4.304,33 4.457,34 3.926,35 3.775,36 5.611,37 3.697,38 4.28,39 4.44,40 3.854,41 3.765,42 5.501,43 3.678,44 4.228,45 4.381,46 3.829,47 3.691,48 5.484,49 3.593,50 4.175,51 4.376,52 3.575,53 3.53,54 5.346,55 3.436,56 0.08,57 0.649,58 4.281,59 3.318,60 6.602,61 3.275,62 0.233,63 1.086,64 10.343,65 5.609,66 16.092,67 5.687,68 0.379,69 1.3,70 18.482,71 8.085,72 44.44,73 6.757,74 0.336,75 1.202,76 18.42,77 7.814,78 36.891,79 7.047,80 0.378,81 1.175,82 18.333,83 6.867,84 36.642,85 5.898,86 0.236,87 1.035,88 14.121,89 6.416,90 20.993,91 6.309,92 0.273,93 0.986,94 15.484,95 6.483,96 31.19,97 5.88,98 0.258,99 0.913,100 12.255,101 5.732,102 29.014,103 6.483,104 12,105 42,106 0.32,107 0.652,108 0.788,109 0.891,110 0.9,111 0.9,112 3.34,113 0.966,114 -4.98,115 -4.88,116 -4.57,119 47.5,120 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 6,174 1,175 8,178 2,180 2,183 7,187 4,195 8,198 1,199 7,204 2,207 6,212 7,217 2,220 3,223 1,224 6,232 5,237 3,240 1,242 1,245 9,249 1,250 1,258 7,262 1,263 2,266 1,268 1,271 6,275 1135,276 18.256,277 18.256,278 18.256,279 18.256,280 18.256,281 15.475,282 11.038,283 10.831,284 18.887,285 14.87,286 14.87,287 14.87,288 14.87,289 14.87,290 10.722,291 12.39,292 5.216,293 16.031,294 3.47,295 1.551,296 0.769,297 0.169,298 0.119,299 0.119,300 4.039,304 1,305 1,306 678,307 3,310 61.753,311 242.113,314 108.269,318 1.909,319 28.802,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 312,332 4.516,333 4.577,334 6.343,335 4.005,336 3.066,337 4.453,338 2.95,339 9.804,340 2.904,341 4.238,342 3.536,343 6.1,344 3.773,345 2.873,346 3.866,347 1.907,348 8.983,349 2.589,350 4.118,351 3.291,352 6.029,353 3.675,354 2.737,355 3.731,356 0.149,357 8.647,358 2.538,359 3.72,360 3.041,361 5.298,362 3.309,363 2.362,364 3.134,366 6.786,367 2.254,368 3.568,369 2.702,370 5.222,371 3.129,372 2.207,373 2.84,375 6.469,376 1.991,377 3.19,378 2.429,379 4.472,380 2.687,381 1.746,382 2.4,384 4.465,385 1.599,386 3.025,387 2.112,388 4.383,389 2.475,390 1.542,391 2.278,393 4.383,394 1.423,395 2.933,396 1.61,397 4.264,398 2.43,399 1.491,400 2.11,402 3.926,403 1.385,404 2.86,405 1.553,406 4.093,407 2.38,408 1.414,409 2.014,411 3.517,412 1.347,413 2.766,414 1.514,415 3.598,416 2.271,417 1.312,418 1.881,420 2.963,421 1.246,422 2.589,423 1.118,424 3.481,425 2.033,426 1.098,427 1.633,428 2.531,429 1.023,430 1.903,431 0.767,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.46,439 0.589,440 2.893,441 1.041,442 0.187,443 0.231,445 0.448,446 0.156,447 1.107,448 0.478,449 2.645,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.941,457 0.405,458 2.508,459 0.485,460 -0.405,461 -0.51,463 -0.954,464 -0.344,465 13.386,466 0.496,467 0.677,468 0.025,469 40,470 1.481,471 22.5,472 0.833,473 17.5,474 0.648,475 19.273,476 0.714,477 26.814,478 0.67,479 27.471,480 1.017,481 7.748,482 0.287,483 5.332,484 0.197,485 0.084,487 0.336,491 1,493 0.628,494 0.939,495 0.661,496 0.761,497 0.551,498 0.739,499 0.552,500 1.017,501 0.74,502 0.963,503 0.564,504 0.849,505 1.231,506 1.057,507 1.16,508 1.015,509 1.196,510 0.924,511 0.989,512 1.099,513 1.234,514 1.146,515 0.891,516 1.019,517 0.914,518 0.945,519 1.354,520 1.174,521 0.769,522 1,523 0.8,524 0.935,525 1.038,526 1.008,527 0.636,528 1.012,529 1.062,530 0.995,531 0.941,532 0.993,533 1.127,534 1.106,535 0.871,536 0.958,537 0.724,538 0.849,539 0.877,540 1.031,541 6,542 0.152,543 2.444,544 1.854,545 1.258,546 0.782,547 0.536,548 0.386,549 0.192,550 0.158,551 9433,552 32220,553 2.12,554 32.5,556 8,558 1,559 1,560 3,564 1.698,565 2,566 3.506,567 -0.272,573 74.061,574 1.852,575 3.771,576 4.553,577 5.153,578 5.203,579 5.203,580 2.967,581 4.459,582 4.724,583 3.666,584 1286.63,585 8.189,586 16697.8,588 1,591 212.877,592 1.352,593 4.694,594 0.2,595 0.008,596 0.058,597 0.046,598 0.035,599 0.022,600 0.016,601 0.013,602 0.008,603 0.007,604 0.415,605 0.17,606 1,607 0.881,608 134.904,609 -0.056,610 -0.057,611 0.039,612 0.05,613 -0.068,614 0.034,615 0.154,616 -0.09,617 0.154,618 -0.038,619 0.055,620 0.002,621 -0.208,622 -0.041,623 -0.081,624 0.036,625 -0.16,626 0.008,627 -0.068,628 -0.062,629 -0.101,630 -0.062,631 -0.033,632 -0.051,633 -0.01,634 0.093,635 -0.261,636 -0.13,637 0.018,638 -0.085,639 -0.068,640 -0.033,641 -0.112,642 -0.07,643 0.017,644 -0.069,645 -0.113,646 -0.056,647 -0.033,648 -0.055,649 -0.133,650 -0.163,652 -0.057,653 0.096,654 0.017,655 -0.027,656 0.001,657 1.965,658 5.854,659 0.778,660 27.007,661 1.02,662 1.111,663 3.746,664 14.032,665 0.763,666 3.434,667 3.761,668 4.007,669 4.29,670 4.511,671 4.585,672 4.762,673 4.89,674 4.97,675 5.063,676 6.777,677 0.73,678 396.5,679 3.434,680 4.977,681 5.82,682 6.698,683 7.56,684 8.442,685 9.312,686 10.196,687 11.07,688 11.955,689 10,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,730 1,731 40,733 23,734 2,735 30,737 43,738 19,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 1,766 1,771 1,775 1,778 1,779 1,781 13,782 6,783 1,784 8,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 1,846 1,848 27,855 1,857 1,863 1,869 1,870 2.5,873 1,877 13.5,878 7.743,879 5.833,880 2.262,881 4.321,882 1.561,883 1.03,884 5.039,885 12.028,886 3.761,887 4.41,888 5,889 5.638,890 6.199,891 6.527,892 7.037,893 7.505,894 7.836,895 8.251,896 0.875,897 40,898 9.948,900 4.28,901 7.914,902 18.616,904 15.161,905 2.414,906 65.167,909 1,910 141.253,911 182.582,912 68.367,914 25.145,915 14.96,916 63.497,917 119.085,918 166.398,919 83.327,920 8.825,921 18.011,922 75.81,923 91.977,924 28.306,925 16.399,926 192.979,928 141.253,929 187.452,930 40.105,931 63.497,933 156.213,934 25.145,937 41.978,938 95.118,939 50.357,940 63.497,941 156.213,942 93.512,943 182.582,946 141.253,947 88.9,948 93.683,949 18.011,950 90.462,951 141.253,952 108.472,953 182.582,955 0.582,956 0.325,957 0.179,958 0.099,959 21,960 9,961 0.093,962 4,963 1,964 1.095,965 3.961,966 230.387,967 0.095,968 21,969 128.382,970 2,974 17.873,975 7.613,976 4.088,977 1.751,978 108.472,979 15.777,980 13.148,983 1.402,984 2.855,986 18.011,987 432.308,988 42,993 11.199,997 -0.153,999 40.818,1000 44.458,1001 0.348,1002 0.709,1003 0.856,1004 0.968,1005 0.978,1006 0.978,1007 4.98,1008 1.491,1009 5.802,1010 4.383,1011 4.443,1012 5.097,1013 3.197,1014 6.589,1015 4.297,1016 6.205,1017 1.414,1018 7.341,1019 3.926,1020 4.007,1021 4.902,1022 1.593,1023 7.391,1024 3.777,1025 7.514,1026 1.312,1027 8.975,1028 3.517,1029 6.014,1030 7.341,1031 5.134,1032 10.474,1033 5.727,1034 8.858,1035 1.098,1036 10.663,1037 2.963,1038 6.365,1039 7.954,1040 3.032,1041 12.085,1042 5.982,1043 10.229,1044 0.411,1045 12.386,1046 2.531,1047 7.851,1048 9.867,1049 7.226,1050 14.658,1051 7.429,1052 11.621,1053 0.187,1054 14.133,1055 1.083,1056 8.579,1057 10.89,1058 4.409,1059 16.619,1060 8.061,1061 13.031,1062 -0.229,1063 15.897,1064 0.448,1065 9.84,1066 12.565,1067 9.364,1068 18.994,1069 9.285,1070 3.066,1071 -0.405,1072 17.674,1073 -0.63,1074 10.754,1075 13.804,1076 5.75,1077 21.112,1078 10.11,1079 2.873,1080 9.804,1081 19.46,1082 -0.954,1083 11.915,1084 15.365,1085 11.518,1086 23.41,1087 11.231,1088 2.737,1089 8.983,1090 21.254,1091 4.453,1092 12.919,1093 16.718,1094 7.068,1095 25.6,1096 12.156,1097 2.362,1098 8.647,1099 23.055,1100 3.866,1101 14.038,1102 18.229,1103 13.678,1104 27.869,1105 13.23,1106 2.207,1107 6.786,1108 24.86,1109 3.731,1110 15.087,1111 19.642,1112 8.374,1113 30.093,1114 14.21,1115 1.746,1116 6.469,1117 26.668,1118 3.134,1119 16.189,1120 21.131,1121 15.84,1122 32.352,1123 15.264,1124 1.542,1125 4.465,1126 28.481,1127 2.84,1128 17.262,1129 22.576,1130 9.674,1131 34.594,1132 16.275,1133 8952,1134 16703,1135 20.285,1136 30.517,1137 45.374,1138 48.155,1139 45.882,1140 44.864,1141 44.894,1142 62.364,1143 10.012,1144 128.006,1145 41.642,1146 5.285,1147 6.577,1148 6.031,1149 5.148,1150 5.066,1151 7.453,1152 5.9,1153 16.316,1154 4.904,1155 12.106,1156 1.512,1157 1.605,1158 1.529,1159 1.495,1160 1.496,1161 2.079,1162 0.334,1163 4.267,1164 1.388,1165 4.082,1166 4.099,1167 4.325,1168 4.064,1169 8.201,1170 4.027,1171 3.899,1172 3.921,1173 4.07,1174 3.862,1175 7.43,1176 3.835,1177 3.763,1178 3.805,1179 3.766,1180 3.649,1181 5.029,1182 3.648,1183 3.563,1184 3.609,1185 3.516,1186 3.356,1187 4.894,1188 3.369,1189 3.231,1190 3.27,1191 3.381,1192 3.169,1193 4.627,1194 3.12,1195 2.961,1196 2.987,1197 3.217,1198 2.987,1199 4.296,1200 2.892,1201 2.897,1202 2.954,1203 2.869,1204 2.786,1205 3.917,1206 2.769,1207 2.88,1208 2.934,1209 2.822,1210 2.733,1211 3.829,1212 2.734,1213 0.151,1214 0.153,1215 0.211,1216 0.134,1217 0.102,1218 4.516,1219 0.148,1220 4.577,1221 0.098,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.066,1227 4.453,1228 2.95,1229 9.804,1230 2.904,1231 1.954,1232 1.937,1233 2.007,1234 2.029,1235 1.16,1236 2.031,1237 1.866,1238 1.847,1239 1.954,1240 1.941,1241 1.049,1242 1.954,1243 1.641,1244 1.603,1245 1.733,1246 1.802,1247 0.75,1248 1.783,1249 1.525,1250 1.482,1251 1.715,1252 1.762,1253 0.736,1254 1.758,1255 1.196,1256 1.168,1257 1.25,1258 1.351,1259 0.432,1260 1.381,1261 0.96,1262 0.952,1263 1.133,1264 1.069,1265 0.242,1266 1.09,1267 0.883,1268 0.847,1269 1.074,1270 1.026,1271 0.14,1272 1.058,1273 0.857,1274 0.804,1275 0.978,1276 1.006,1277 0.12,1278 1.045,1279 4.111,1281 5.434,1282 2.398,1283 6.94,1284 4.727,1285 8.531,1286 6.823,1287 10.165,1289 1.452,1291 13.854,1296 2.699,1298 1.183,1305 29.192,1306 74.061,1307 150.838,1308 182.122,1309 206.122,1310 208.122,1311 208.122,1312 43.29,1313 7.707,1314 67.77,1315 121.31,1316 23,1317 12.49,1318 4.585,1319 3.7,1320 40.333,1321 109,1322 106,1323 0.18,1324 185.883,1325 311.06,1326 445.316,1327 24627,1328 2.5,1329 18.803,1330 0.696,1331 0.584,1332 18.64,1333 15.773,1334 13.081,1335 0.436,1336 0.322,1337 8.064,1338 11.751,1339 7.726,1340 6.398,1341 13.486,1342 9.656,1343 12.111,1344 0.288,1345 0.183,1346 12.957,1347 7.679,1348 9.673,1349 0.179,1350 0.102,1351 10.596,1352 5.502,1353 8.348,1354 0.116,1355 0.058,1356 9.797,1357 4.182,1358 6.716,1359 0.075,1360 0.031,1361 7.97,1362 2.822,1363 0.285,1364 89.77,1365 0.222,1366 26.11,1367 0.485,1368 144,1369 502.836,1370 211.509,1371 507.506,1372 688.26,1373 474,1374 168,1375 472.808,1376 225.159,1377 505.482,1378 741.7,1379 476,1380 7.337}
{0 CHEMBL1773592,1 1.852,2 11.593,3 4.589,4 21.059,5 105.997,6 9.912,7 0.733,8 3.823,9 3.908,10 3.714,11 3.531,12 5.069,13 3.482,14 4.279,15 4.393,16 4.157,17 3.885,18 5.586,19 3.824,20 4.447,21 4.594,22 4.078,23 3.947,24 5.689,25 3.849,26 4.369,27 4.525,28 4.078,29 3.863,30 5.607,31 3.759,32 4.295,33 4.451,34 3.886,35 3.776,36 5.49,37 3.692,38 4.282,39 4.442,40 3.865,41 3.766,42 5.567,43 3.673,44 4.221,45 4.376,46 3.826,47 3.691,48 5.455,49 3.59,50 4.175,51 4.376,52 3.575,53 3.53,54 5.336,55 3.436,56 0.08,57 0.649,58 4.281,59 3.318,60 6.543,61 3.275,62 0.233,63 1.086,64 10.343,65 5.609,66 15.122,67 5.687,68 0.387,69 1.268,70 18.465,71 8.054,72 49.642,73 6.753,74 0.32,75 1.197,76 18.434,77 7.831,78 30.749,79 7.154,80 0.286,81 1.091,82 18.325,83 6.865,84 27.88,85 5.816,86 0.321,87 1.081,88 14.126,89 6.404,90 29.715,91 6.494,92 0.245,93 0.953,94 15.473,95 6.459,96 26.39,97 6.059,98 0.258,99 0.913,100 12.255,101 5.732,102 29.956,103 6.483,104 12,105 42,106 0.32,107 0.652,108 0.796,109 0.9,110 0.9,111 0.9,112 3.34,113 0.965,114 -4.98,115 -4.88,116 -4.57,119 47.5,120 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 1,175 8,178 2,180 2,183 9,187 4,195 7,198 1,199 9,204 2,207 6,212 5,217 2,220 3,223 1,224 6,232 7,237 3,240 1,242 1,245 9,249 1,250 1,258 6,262 1,263 2,266 1,268 1,271 6,275 1148,276 18.204,277 18.204,278 18.204,279 18.204,280 18.204,281 15.451,282 11.96,283 10.808,284 18.855,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.748,291 13.268,292 5.236,293 16.069,294 3.47,295 1.551,296 0.719,297 0.119,298 0.119,299 0.119,300 4.039,304 1,305 1,306 680,307 3,310 62.168,311 243.498,314 109.027,318 1.948,319 27.96,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 313,332 4.516,333 4.555,334 6.343,335 4.005,336 3.065,337 4.453,338 2.95,339 9.802,340 2.904,341 4.205,342 3.536,343 6.076,344 3.738,345 2.827,346 3.836,347 1.907,348 8.923,349 2.58,350 4.039,351 3.182,352 5.622,353 3.591,354 2.658,355 3.638,356 0.149,357 7.795,358 2.459,359 3.727,360 3.035,361 5.269,362 3.311,363 2.367,364 3.143,366 6.706,367 2.254,368 3.582,369 2.789,370 5.184,371 3.159,372 2.234,373 2.85,375 6.431,376 2.011,377 3.265,378 2.654,379 4.686,380 2.797,381 1.875,382 2.522,384 5.118,385 1.701,386 3.162,387 2.115,388 4.456,389 2.66,390 1.724,391 2.379,393 4.413,394 1.574,395 3.017,396 1.612,397 4.379,398 2.451,399 1.523,400 2.261,402 4.381,403 1.396,404 2.848,405 1.517,406 4.215,407 2.346,408 1.388,409 1.997,411 3.739,412 1.315,413 2.656,414 1.365,415 3.492,416 2.162,417 1.179,418 1.73,420 2.604,421 1.154,422 2.589,423 1.118,424 3.472,425 2.033,426 1.098,427 1.632,428 2.522,429 1.023,430 1.903,431 0.691,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.295,439 0.589,440 2.889,441 0.859,447 1.106,448 0.412,449 2.645,450 0.692,451 -0.23,452 -0.277,454 -0.632,455 -0.208,456 0.923,457 0.339,458 2.508,459 0.479,460 -0.413,461 -0.518,463 -0.93,464 -0.353,465 13.386,466 0.496,467 0.694,468 0.026,469 40,470 1.481,471 22.5,472 0.833,473 17.5,474 0.648,475 19.175,476 0.71,477 26.814,478 0.67,479 27.373,480 1.014,481 7.733,482 0.286,483 5.331,484 0.197,485 0.084,487 0.336,491 1,493 0.628,494 0.939,495 0.661,496 0.761,497 0.553,498 0.739,499 0.552,500 1.017,501 0.74,502 0.963,503 0.544,504 0.849,505 1.305,506 0.994,507 1.28,508 1.007,509 1.249,510 0.961,511 0.794,512 1.078,513 1.115,514 1.15,515 0.715,516 1.003,517 0.991,518 0.997,519 1.38,520 1.175,521 0.766,522 1.002,523 0.597,524 0.787,525 1.02,526 1.002,527 0.52,528 1.035,529 0.889,530 0.949,531 0.898,532 0.993,533 0.938,534 1.097,535 0.871,536 0.958,537 0.724,538 0.849,539 0.898,540 1.031,541 6.5,542 0.152,543 2,544 1.979,545 1.098,546 0.837,547 0.555,548 0.319,549 0.237,550 0.148,551 9525,552 32876,553 2.12,554 32.5,556 8,558 1,559 1,560 3,564 1.698,565 2,566 3.526,567 -0.272,573 74.061,574 1.852,575 3.771,576 4.603,577 5.203,578 5.203,579 5.203,580 2.967,581 4.459,582 4.723,583 3.685,584 1293.38,585 8.187,586 16856.1,588 1,591 212.877,592 1.352,593 4.694,594 0.217,595 0.008,596 0.048,597 0.051,598 0.03,599 0.025,600 0.017,601 0.011,602 0.01,603 0.007,604 0.423,605 0.17,606 1,607 0.881,608 135.154,609 -0.056,610 -0.057,611 0.039,612 0.05,613 -0.069,614 0.034,615 0.154,616 -0.09,617 0.154,618 -0.038,619 0.075,620 0.002,621 -0.284,622 0.024,623 -0.204,624 0.044,625 -0.215,626 -0.03,627 0.025,628 -0.104,629 0.021,630 -0.069,631 0.026,632 -0.022,633 -0.206,634 -0.03,635 -0.289,636 -0.134,637 -0.111,638 -0.074,639 0.141,640 0.118,641 -0.094,642 -0.064,643 0.136,644 -0.092,645 -0.058,646 -0.082,647 0.01,648 -0.058,649 -0.079,650 -0.14,652 -0.057,653 0.096,654 0.017,655 -0.049,656 0.001,657 1.957,658 5.358,659 0.778,660 27.578,661 1.02,662 1.111,663 3.746,664 14.032,665 0.763,666 3.434,667 3.761,668 3.989,669 4.29,670 4.5,671 4.595,672 4.754,673 4.89,674 4.963,675 5.069,676 6.853,677 0.73,678 396.5,679 3.434,680 4.977,681 5.814,682 6.693,683 7.548,684 8.432,685 9.295,686 10.181,687 11.05,688 11.937,689 10,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,730 1,731 40,733 23,734 2,735 30,737 43,738 19,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 1,766 1,771 1,775 1,778 1,779 1,781 13,782 6,783 1,784 8,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 1,846 1,848 27,855 1,857 1,863 1,869 1,870 2.5,873 1,877 13.5,878 7.743,879 5.806,880 2.255,881 4.289,882 1.557,883 1.03,884 5.039,885 11.996,886 3.761,887 4.41,888 4.99,889 5.641,890 6.194,891 6.534,892 7.032,893 7.507,894 7.833,895 8.257,896 0.875,897 39,898 9.935,900 4.263,901 7.914,902 18.616,904 15.156,905 2.414,906 65.167,909 1,910 141.253,911 182.582,912 68.367,914 25.145,915 14.96,916 63.497,917 119.085,918 166.398,919 83.327,920 8.825,921 18.011,922 75.81,923 91.977,924 28.306,925 16.399,926 192.979,928 141.253,929 187.452,930 40.105,931 63.497,933 156.213,934 25.145,937 41.978,938 95.118,939 50.357,940 63.497,941 156.213,942 93.512,943 182.582,946 141.253,947 88.9,948 93.683,949 18.011,950 90.462,951 141.253,952 108.472,953 182.582,955 0.582,956 0.317,957 0.179,958 0.098,959 21,960 9,961 0.093,962 4,963 1,964 1.095,965 3.978,966 229.388,967 0.095,968 21,969 128.382,970 2,974 17.873,975 7.613,976 4.252,977 1.769,978 108.472,979 15.65,980 13.218,983 1.41,984 3.247,986 18.011,987 432.308,988 42,993 11.2,997 -0.149,999 40.818,1000 44.458,1001 0.348,1002 0.709,1003 0.865,1004 0.978,1005 0.978,1006 0.978,1007 4.98,1008 1.523,1009 5.796,1010 4.413,1011 4.443,1012 5.097,1013 3.197,1014 6.572,1015 4.297,1016 6.205,1017 1.388,1018 7.326,1019 4.381,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.777,1025 7.512,1026 1.179,1027 8.946,1028 3.739,1029 6.004,1030 7.335,1031 5.134,1032 10.412,1033 5.721,1034 8.851,1035 1.098,1036 10.618,1037 2.604,1038 6.33,1039 7.93,1040 3.032,1041 11.98,1042 5.957,1043 10.217,1044 0.411,1045 12.324,1046 2.522,1047 7.818,1048 9.848,1049 7.226,1050 14.555,1051 7.408,1052 11.603,1054 14.053,1055 1.083,1056 8.52,1057 10.855,1058 4.409,1059 16.492,1060 8.021,1061 13.005,1062 -0.23,1063 15.8,1065 9.783,1066 12.535,1067 9.364,1068 18.869,1069 9.25,1070 3.065,1071 -0.413,1072 17.561,1073 -0.632,1074 10.677,1075 13.765,1076 5.75,1077 20.979,1078 10.063,1079 2.827,1080 9.802,1081 19.334,1082 -0.93,1083 11.839,1084 15.331,1085 11.518,1086 23.28,1087 11.186,1088 2.658,1089 8.923,1090 21.116,1091 4.453,1092 12.831,1093 16.68,1094 7.068,1095 25.47,1096 12.107,1097 2.367,1098 7.795,1099 22.905,1100 3.836,1101 13.949,1102 18.194,1103 13.678,1104 27.743,1105 13.183,1106 2.234,1107 6.706,1108 24.701,1109 3.638,1110 14.993,1111 19.607,1112 8.374,1113 29.972,1114 14.161,1115 1.875,1116 6.431,1117 26.503,1118 3.143,1119 16.094,1120 21.1,1121 15.84,1122 32.237,1123 15.218,1124 1.724,1125 5.118,1126 28.309,1127 2.85,1128 17.164,1129 22.546,1130 9.674,1131 34.484,1132 16.229,1133 9037,1134 16944,1135 20.285,1136 30.517,1137 45.419,1138 47.8,1139 45.689,1140 44.815,1141 44.699,1142 62.104,1143 10.012,1144 127.033,1145 41.469,1146 5.281,1147 6.555,1148 5.901,1149 5.146,1150 5.065,1151 7.453,1152 5.9,1153 16.31,1154 4.904,1155 12.217,1156 1.514,1157 1.593,1158 1.523,1159 1.494,1160 1.49,1161 2.07,1162 0.334,1163 4.234,1164 1.382,1165 4.082,1166 4.099,1167 4.325,1168 4.064,1169 8.201,1170 4.027,1171 3.899,1172 3.921,1173 4.064,1174 3.862,1175 7.43,1176 3.835,1177 3.764,1178 3.806,1179 3.768,1180 3.649,1181 5.029,1182 3.648,1183 3.563,1184 3.609,1185 3.521,1186 3.356,1187 4.895,1188 3.369,1189 3.232,1190 3.27,1191 3.388,1192 3.169,1193 4.612,1194 3.12,1195 2.967,1196 2.99,1197 3.232,1198 2.987,1199 4.296,1200 2.895,1201 2.894,1202 2.952,1203 2.87,1204 2.786,1205 3.917,1206 2.769,1207 2.88,1208 2.934,1209 2.802,1210 2.733,1211 3.827,1212 2.733,1213 0.151,1214 0.152,1215 0.211,1216 0.133,1217 0.102,1218 4.516,1219 0.148,1220 4.555,1221 0.098,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.065,1227 4.453,1228 2.95,1229 9.802,1230 2.904,1231 1.954,1232 1.937,1233 2.007,1234 2.029,1235 1.16,1236 2.031,1237 1.866,1238 1.847,1239 1.949,1240 1.941,1241 1.05,1242 1.953,1243 1.64,1244 1.603,1245 1.733,1246 1.802,1247 0.749,1248 1.783,1249 1.525,1250 1.482,1251 1.715,1252 1.762,1253 0.736,1254 1.758,1255 1.195,1256 1.168,1257 1.25,1258 1.351,1259 0.432,1260 1.381,1261 0.959,1262 0.95,1263 1.121,1264 1.068,1265 0.241,1266 1.089,1267 0.883,1268 0.847,1269 1.074,1270 1.025,1271 0.133,1272 1.06,1273 0.856,1274 0.803,1275 1.024,1276 1.006,1277 0.118,1278 1.045,1279 4.111,1281 5.434,1282 2.398,1283 6.934,1284 4.727,1285 8.518,1286 6.823,1287 10.146,1289 1.455,1291 13.358,1296 2.703,1298 1.306,1305 29.192,1306 74.061,1307 150.838,1308 184.122,1309 208.122,1310 208.122,1311 208.122,1312 41.82,1313 7.707,1314 67.77,1315 121.31,1316 23,1317 12.472,1318 4.585,1319 3.7,1320 40.349,1321 110,1322 106,1323 0.178,1324 185.883,1325 311.06,1326 445.316,1327 24627,1328 2.5,1329 18.803,1330 0.696,1331 0.584,1332 18.64,1333 15.773,1334 13.064,1335 0.435,1336 0.322,1337 8.058,1338 11.707,1339 7.718,1340 6.388,1341 13.486,1342 9.65,1343 12.226,1344 0.291,1345 0.184,1346 12.957,1347 7.738,1348 9.459,1349 0.178,1350 0.102,1351 10.596,1352 5.408,1353 8.422,1354 0.117,1355 0.059,1356 9.797,1357 4.212,1358 6.602,1359 0.074,1360 0.031,1361 7.97,1362 2.803,1363 0.283,1364 89.669,1365 0.222,1366 26.164,1367 0.478,1368 144,1369 502.836,1370 211.509,1371 507.626,1372 687.62,1373 474,1374 167,1375 471.808,1376 220.934,1377 504.565,1378 737.86,1379 475,1380 7.509}
{0 CHEMBL1773593,1 1.852,2 12.111,3 4.589,4 21.059,5 105.997,6 9.912,7 0.733,8 3.823,9 3.908,10 3.714,11 3.531,12 5.069,13 3.482,14 4.279,15 4.393,16 4.157,17 3.885,18 5.585,19 3.824,20 4.447,21 4.594,22 4.078,23 3.947,24 5.699,25 3.849,26 4.368,27 4.527,28 4.011,29 3.864,30 5.578,31 3.751,32 4.288,33 4.446,34 3.933,35 3.775,36 5.472,37 3.691,38 4.273,39 4.436,40 3.822,41 3.767,42 5.44,43 3.668,44 4.223,45 4.378,46 3.837,47 3.692,48 5.524,49 3.585,50 4.168,51 4.37,52 3.571,53 3.531,54 5.302,55 3.433,56 0.08,57 0.649,58 4.281,59 3.318,60 6.543,61 3.275,62 0.233,63 1.086,64 10.343,65 5.609,66 15.063,67 5.687,68 0.387,69 1.268,70 18.465,71 8.054,72 48.672,73 6.753,74 0.328,75 1.165,76 18.417,77 7.799,78 35.951,79 7.15,80 0.271,81 1.086,82 18.339,83 6.881,84 21.738,85 5.923,86 0.229,87 0.997,88 14.118,89 6.402,90 20.954,91 6.412,92 0.329,93 0.999,94 15.478,95 6.447,96 35.113,97 6.244,98 0.23,99 0.88,100 12.243,101 5.708,102 25.156,103 6.662,104 12,105 42,106 0.32,107 0.652,108 0.779,109 0.865,110 0.865,111 0.865,112 3.34,113 0.965,114 -4.98,115 -4.88,116 -4.57,119 47.5,120 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 1,175 8,178 2,180 2,183 8,187 4,195 9,198 1,199 9,204 2,207 5,212 7,217 2,220 3,223 1,224 4,232 7,237 3,240 1,242 1,245 11,249 1,250 1,258 6,262 1,263 2,266 1,268 1,271 5,275 1161,276 18.204,277 18.204,278 18.204,279 18.204,280 18.204,281 15.451,282 11.96,283 10.775,284 18.855,285 14.875,286 14.875,287 14.875,288 14.875,289 14.875,290 10.742,291 12.794,292 5.222,293 16.059,294 3.47,295 1.551,296 0.819,297 0.319,298 0.319,299 0.319,300 4.039,304 1,305 1,306 711,307 3,310 62.631,311 245.153,314 109.879,318 1.975,319 27.428,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 327,332 4.516,333 4.554,334 6.343,335 4.005,336 3.065,337 4.453,338 2.95,339 9.802,340 2.904,341 4.202,342 3.536,343 6.076,344 3.735,345 2.823,346 3.833,347 1.907,348 8.921,349 2.579,350 4.014,351 3.162,352 5.575,353 3.564,354 2.633,355 3.609,356 0.149,357 7.647,358 2.437,359 3.731,360 3.031,361 5.262,362 3.312,363 2.37,364 3.148,366 6.658,367 2.254,368 3.592,369 2.833,370 5.15,371 3.178,372 2.25,373 2.86,375 6.357,376 2.025,377 3.349,378 2.665,379 4.82,380 2.879,381 1.956,382 2.643,384 5.479,385 1.779,386 3.174,387 2.116,388 4.459,389 2.668,390 1.73,391 2.386,393 4.422,394 1.581,395 3.018,396 1.612,397 4.379,398 2.451,399 1.523,400 2.264,402 4.382,403 1.396,404 2.847,405 1.517,406 4.218,407 2.344,408 1.387,409 1.996,411 3.747,412 1.312,413 2.591,414 1.128,415 3.484,416 2.034,417 1.1,418 1.634,420 2.538,421 1.024,422 2.5,423 1.064,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.903,431 1,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.46,439 0.589,440 2.913,441 1.041,442 0.194,443 0.236,445 0.471,446 0.16,447 1.107,448 0.491,449 2.645,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.944,457 0.406,458 2.508,459 0.485,460 -0.404,461 -0.51,463 -0.959,464 -0.343,465 13.386,466 0.496,467 0.694,468 0.026,469 40,470 1.481,471 22.5,472 0.833,473 17.5,474 0.648,475 19.104,476 0.708,477 26.814,478 0.67,479 27.297,480 1.011,481 7.733,482 0.286,483 5.331,484 0.197,485 0.084,487 0.336,491 1,493 0.628,494 0.939,495 0.661,496 0.761,497 0.553,498 0.739,499 0.552,500 1.017,501 0.74,502 0.963,503 0.545,504 0.849,505 1.305,506 0.994,507 1.28,508 1.007,509 1.232,510 0.961,511 0.873,512 1.011,513 1.242,514 1.142,515 0.772,516 1.042,517 0.78,518 0.974,519 1.251,520 1.179,521 0.575,522 0.985,523 0.674,524 0.839,525 1.047,526 1.003,527 0.517,528 1.037,529 0.672,530 0.792,531 0.879,532 0.987,533 0.815,534 1.121,535 0.692,536 0.911,537 0.68,538 0.849,539 0.704,540 1.021,541 6.5,542 0.151,543 2.222,544 1.729,545 1.178,546 0.782,547 0.596,548 0.352,549 0.22,550 0.184,551 9617,552 33532,553 2.12,554 32.5,556 8,558 1,559 1,560 3,564 1.698,565 2,566 3.571,567 -0.272,573 74.061,574 1.852,575 3.771,576 4.503,577 5.003,578 5.003,579 5.003,580 3.087,581 4.31,582 4.722,583 3.713,584 1303.15,585 8.182,586 17011.3,588 1,591 212.877,592 1.352,593 4.694,594 0.217,595 0.008,596 0.053,597 0.044,598 0.034,599 0.023,600 0.019,601 0.012,602 0.009,603 0.008,604 0.427,605 0.17,606 1,607 0.881,608 135.393,609 -0.056,610 -0.057,611 0.039,612 0.05,613 -0.069,614 0.034,615 0.154,616 -0.09,617 0.154,618 -0.038,619 0.074,620 0.002,621 -0.284,622 0.024,623 -0.204,624 0.044,625 -0.197,626 -0.03,627 -0.056,628 -0.035,629 -0.11,630 -0.06,631 -0.032,632 -0.062,633 -0.104,634 -0.075,635 -0.157,636 -0.142,637 -0.047,638 -0.043,639 -0.055,640 -0.004,641 -0.122,642 -0.068,643 0.006,644 -0.082,645 0.164,646 0.078,647 0.03,648 -0.052,649 0.047,650 -0.164,651 0.056,652 -0.084,653 0.14,654 0.013,655 0.006,656 0.025,657 1.939,658 5.042,659 0.778,660 28.148,661 1.02,662 1.111,663 3.746,664 14.032,665 0.763,666 3.434,667 3.761,668 3.989,669 4.277,670 4.511,671 4.585,672 4.762,673 4.883,674 4.963,675 5.069,676 6.937,677 0.73,678 396.5,679 3.434,680 4.977,681 5.814,682 6.691,683 7.547,684 8.427,685 9.293,686 10.175,687 11.047,688 11.931,689 10,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,730 1,731 40,733 23,734 2,735 30,737 43,738 19,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 1,766 1,771 1,775 1,778 1,779 1,781 13,782 6,783 1,784 8,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 1,846 1,848 27,855 1,857 1,863 1,869 1,870 2.5,873 1,877 13.5,878 7.743,879 5.806,880 2.255,881 4.279,882 1.555,883 1.03,884 5.039,885 11.986,886 3.761,887 4.41,888 4.99,889 5.633,890 6.203,891 6.527,892 7.036,893 7.504,894 7.833,895 8.257,896 1,897 39,898 9.928,900 4.254,901 7.914,902 18.616,904 15.156,905 2.414,906 65.167,909 1,910 141.253,911 182.582,912 68.367,914 25.145,915 14.96,916 63.497,917 119.085,918 166.398,919 83.327,920 8.825,921 18.011,922 75.81,923 91.977,924 28.306,925 16.399,926 192.979,928 141.253,929 187.452,930 40.105,931 63.497,933 156.213,934 25.145,937 41.978,938 95.118,939 50.357,940 63.497,941 156.213,942 93.512,943 182.582,946 141.253,947 88.9,948 93.683,949 18.011,950 90.462,951 141.253,952 108.472,953 182.582,955 0.583,956 0.318,957 0.175,958 0.1,959 21,960 9,961 0.093,962 4,963 1,964 1.095,965 3.99,966 228.709,967 0.095,968 21,969 124.382,970 2,974 17.873,975 7.613,976 4.252,977 1.782,978 108.472,979 15.598,980 13.265,983 1.415,984 3.471,986 18.011,987 432.308,988 42,993 11.2,997 -0.146,999 40.818,1000 44.458,1001 0.348,1002 0.709,1003 0.846,1004 0.94,1005 0.94,1006 0.94,1007 4.98,1008 1.523,1009 5.796,1010 4.422,1011 4.443,1012 5.097,1013 3.197,1014 6.569,1015 4.297,1016 6.205,1017 1.387,1018 7.326,1019 4.382,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.777,1025 7.512,1026 1.1,1027 8.945,1028 3.747,1029 6.004,1030 7.335,1031 5.134,1032 10.402,1033 5.721,1034 8.851,1035 1,1036 10.617,1037 2.538,1038 6.33,1039 7.93,1040 3.032,1041 11.972,1042 5.957,1043 10.216,1044 0.411,1045 12.321,1046 2.275,1047 7.816,1048 9.847,1049 7.226,1050 14.54,1051 7.406,1052 11.602,1053 0.194,1054 14.049,1055 1.083,1056 8.514,1057 10.851,1058 4.409,1059 16.479,1060 8.017,1061 13.004,1062 -0.229,1063 15.795,1064 0.471,1065 9.776,1066 12.53,1067 9.364,1068 18.854,1069 9.245,1070 3.065,1071 -0.404,1072 17.555,1073 -0.63,1074 10.667,1075 13.759,1076 5.75,1077 20.966,1078 10.055,1079 2.823,1080 9.802,1081 19.326,1082 -0.959,1083 11.828,1084 15.325,1085 11.518,1086 23.266,1087 11.179,1088 2.633,1089 8.921,1090 21.107,1091 4.453,1092 12.819,1093 16.673,1094 7.068,1095 25.459,1096 12.098,1097 2.37,1098 7.647,1099 22.896,1100 3.833,1101 13.936,1102 18.188,1103 13.678,1104 27.732,1105 13.174,1106 2.25,1107 6.658,1108 24.691,1109 3.609,1110 14.979,1111 19.601,1112 8.374,1113 29.963,1114 14.153,1115 1.956,1116 6.357,1117 26.492,1118 3.148,1119 16.08,1120 21.094,1121 15.84,1122 32.228,1123 15.21,1124 1.73,1125 5.479,1126 28.299,1127 2.86,1128 17.15,1129 22.541,1130 9.674,1131 34.477,1132 16.221,1133 9123,1134 17186,1135 20.285,1136 30.517,1137 45.394,1138 48.116,1139 45.714,1140 44.873,1141 44.886,1142 62.352,1143 10.012,1144 127.566,1145 41.634,1146 5.279,1147 6.554,1148 5.891,1149 5.146,1150 5.065,1151 7.453,1152 5.9,1153 16.309,1154 4.904,1155 12.313,1156 1.513,1157 1.604,1158 1.524,1159 1.496,1160 1.496,1161 2.078,1162 0.334,1163 4.252,1164 1.388,1165 4.082,1166 4.099,1167 4.325,1168 4.064,1169 8.201,1170 4.027,1171 3.899,1172 3.921,1173 4.063,1174 3.862,1175 7.43,1176 3.835,1177 3.764,1178 3.806,1179 3.769,1180 3.649,1181 5.03,1182 3.648,1183 3.563,1184 3.609,1185 3.524,1186 3.356,1187 4.895,1188 3.369,1189 3.232,1190 3.27,1191 3.392,1192 3.168,1193 4.606,1194 3.12,1195 2.983,1196 3.001,1197 3.241,1198 2.986,1199 4.296,1200 2.902,1201 2.885,1202 2.937,1203 2.871,1204 2.786,1205 3.917,1206 2.77,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.818,1212 2.715,1213 0.151,1214 0.152,1215 0.211,1216 0.133,1217 0.102,1218 4.516,1219 0.148,1220 4.554,1221 0.098,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.065,1227 4.453,1228 2.95,1229 9.802,1230 2.904,1231 1.955,1232 1.937,1233 2.007,1234 2.029,1235 1.16,1236 2.031,1237 1.866,1238 1.847,1239 1.948,1240 1.941,1241 1.05,1242 1.953,1243 1.64,1244 1.603,1245 1.733,1246 1.802,1247 0.749,1248 1.783,1249 1.525,1250 1.482,1251 1.715,1252 1.762,1253 0.736,1254 1.758,1255 1.195,1256 1.168,1257 1.25,1258 1.351,1259 0.432,1260 1.381,1261 0.947,1262 0.944,1263 1.181,1264 1.062,1265 0.218,1266 1.107,1267 0.886,1268 0.843,1269 1.074,1270 1.029,1271 0.169,1272 1.051,1273 0.875,1274 0.821,1275 0.959,1276 1.007,1277 0.121,1278 1.045,1279 4.111,1281 5.434,1282 2.398,1283 6.934,1284 4.727,1285 8.517,1286 6.823,1287 10.143,1289 1.457,1291 13.042,1296 2.707,1298 1.374,1305 29.192,1306 74.061,1307 150.838,1308 180.122,1309 200.122,1310 200.122,1311 200.122,1312 41.184,1313 7.707,1314 67.77,1315 121.31,1316 23,1317 12.467,1318 4.585,1319 3.7,1320 40.376,1321 111,1322 116,1323 0.176,1324 185.883,1325 311.06,1326 445.316,1327 24627,1328 2.5,1329 18.803,1330 0.696,1331 0.584,1332 18.64,1333 15.773,1334 13.064,1335 0.435,1336 0.322,1337 8.058,1338 11.707,1339 7.719,1340 6.387,1341 13.486,1342 9.65,1343 12.215,1344 0.291,1345 0.184,1346 12.957,1347 7.734,1348 9.549,1349 0.18,1350 0.103,1351 10.596,1352 5.444,1353 8.213,1354 0.116,1355 0.058,1356 9.797,1357 4.139,1358 6.757,1359 0.075,1360 0.032,1361 7.97,1362 2.851,1363 0.28,1364 89.669,1365 0.222,1366 26.223,1367 0.471,1368 144,1369 502.836,1370 211.509,1371 507.561,1372 687.6,1373 474,1374 167,1375 471.808,1376 220.934,1377 504.428,1378 737.55,1379 475,1380 7.357}
{0 CHEMBL1773594,1 1.695,2 11.556,3 4.87,4 23.714,5 110.822,6 9.129,7 0.733,8 3.874,9 3.968,10 3.706,11 3.583,12 5.044,13 3.517,14 4.341,15 4.475,16 4.143,17 3.944,18 5.521,19 3.861,20 4.491,21 4.642,22 4.105,23 4.039,24 5.612,25 3.914,26 4.488,27 4.657,28 4.036,29 3.991,30 5.573,31 3.841,32 4.424,33 4.607,34 3.909,35 3.869,36 5.515,37 3.76,38 4.389,39 4.579,40 3.843,41 3.837,42 5.497,43 3.73,44 4.289,45 4.447,46 3.813,47 3.784,48 5.411,49 3.656,50 4.277,51 4.493,52 3.555,53 3.65,54 5.267,55 3.516,56 0.022,57 0.615,58 6.436,59 3.687,60 5.313,61 4.145,62 0.191,63 1.049,64 14.675,65 6.328,66 17.234,67 7.303,68 0.201,69 1.179,70 20.034,71 8.371,72 30.46,73 8.353,74 0.207,75 1.204,76 25.516,77 9.596,78 23.756,79 9.772,80 0.174,81 1.145,82 22.657,83 8.129,84 19.975,85 8.399,86 0.211,87 1.095,88 18.555,89 7.088,90 24.788,91 7.57,92 0.156,93 0.934,94 17.66,95 6.938,96 21.764,97 7.267,98 0.146,99 0.901,100 15.133,101 6.549,102 20.645,103 8.263,104 12,105 42,106 0.289,107 0.629,108 0.762,109 0.881,110 0.889,111 0.889,112 3.34,113 0.997,114 -5.09,115 -4.99,116 -4.67,119 46.5,120 2,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 8,174 1,175 8,178 2,180 2,183 11,187 4,195 12,198 1,199 9,204 2,207 7,212 9,217 2,220 3,223 1,224 6,232 7,237 3,240 1,242 1,245 13,249 1,250 1,258 10,262 1,263 2,266 1,268 1,271 8,275 1135,276 18.256,277 18.256,278 18.256,279 18.256,280 18.256,281 15.475,282 11.488,283 10.831,284 18.833,285 14.87,286 14.87,287 14.87,288 14.87,289 14.87,290 10.722,291 12.701,292 5.216,293 15.913,294 3.731,295 1.739,296 0.965,297 0.268,298 0.221,299 0.221,300 4.039,304 1,305 1,306 678,307 3,310 61.753,311 242.113,314 108.269,318 1.909,319 18.604,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 57,331 312,332 4.516,333 4.571,334 6.343,335 4.005,336 3.066,337 4.453,338 2.95,339 9.804,340 2.904,341 4.238,342 3.536,343 6.1,344 3.79,345 2.873,346 3.866,347 1.907,348 8.983,349 2.66,350 4.118,351 3.229,352 6.029,353 3.688,354 2.737,355 3.731,356 0.149,357 8.647,358 2.571,359 3.72,360 3.036,361 5.298,362 3.311,363 2.362,364 3.134,366 6.786,367 2.255,368 3.568,369 2.685,370 5.222,371 3.134,372 2.207,373 2.84,375 6.469,376 1.997,377 3.19,378 2.174,379 4.472,380 2.688,381 1.746,382 2.4,384 4.465,385 1.6,386 3.025,387 2.096,388 4.383,389 2.478,390 1.542,391 2.278,393 4.383,394 1.424,395 2.933,396 1.595,397 4.264,398 2.431,399 1.491,400 2.11,402 3.926,403 1.414,404 2.86,405 1.516,406 4.093,407 2.414,408 1.414,409 2.014,411 3.517,412 1.383,413 2.766,414 1.489,415 3.598,416 2.275,417 1.312,418 1.881,420 2.963,421 1.252,422 2.589,423 1.118,424 3.481,425 2.033,426 1.098,427 1.633,428 2.531,429 1.023,430 1.903,431 0.748,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.46,439 0.589,440 2.893,441 1.084,442 0.187,443 0.231,445 0.448,446 0.163,447 1.107,448 0.445,449 2.645,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.941,457 0.402,458 2.508,459 0.528,460 -0.405,461 -0.51,463 -0.954,464 -0.371,465 13.6,466 0.504,467 0.677,468 0.025,469 39.75,470 1.472,471 22.5,472 0.833,473 17.25,474 0.639,475 20.237,476 0.75,477 26.6,478 0.619,479 26.508,480 0.982,481 7.586,482 0.281,483 5.495,484 0.204,485 0.098,487 0.331,493 0.721,494 1.053,495 0.688,496 0.784,497 0.623,498 0.776,499 0.488,500 1.038,501 0.723,502 0.911,503 0.528,504 0.804,505 1.342,506 1.001,507 1.165,508 0.979,509 1.32,510 0.949,511 0.768,512 1.181,513 1.394,514 1.327,515 0.591,516 1.11,517 1.048,518 1.18,519 1.225,520 1.155,521 0.738,522 0.98,523 1.139,524 0.865,525 1.037,526 0.876,527 0.784,528 0.9,529 1.032,530 1.024,531 0.928,532 1.024,533 1.209,534 1.138,535 0.667,536 0.93,537 0.696,538 0.854,539 0.726,540 1.031,541 6,542 0.152,543 2.444,544 1.854,545 1.258,546 0.782,547 0.536,548 0.386,549 0.192,550 0.158,551 9433,552 27834,553 2.12,554 37.2,555 3,556 8,558 1,559 1,560 3,564 1.698,565 2,566 3.506,567 -0.309,573 72.891,574 1.695,575 3.687,576 4.461,577 5.159,578 5.205,579 5.205,580 2.967,581 4.459,582 4.724,583 3.666,584 1286.63,585 8.189,586 16697.8,588 1,591 233.329,592 1.352,593 4.694,594 0.2,595 0.008,596 0.058,597 0.046,598 0.035,599 0.022,600 0.016,601 0.013,602 0.008,603 0.007,604 0.415,605 0.17,606 1,607 0.881,608 134.904,609 -0.046,610 -0.066,611 0.057,612 0.049,613 -0.088,614 0.034,615 0.334,616 -0.02,617 0.209,618 0.032,619 0.144,620 0.081,621 -0.267,622 0.027,623 -0.102,624 0.054,625 -0.22,626 -0.029,627 0.05,628 -0.143,629 -0.149,630 -0.172,631 0.071,632 -0.116,633 -0.116,634 -0.121,635 -0.139,636 -0.122,637 -0.019,638 -0.026,639 -0.175,640 0.192,641 -0.104,642 0.052,643 -0.027,644 0.023,645 -0.073,646 -0.078,647 -0.047,648 -0.102,649 -0.144,650 -0.211,651 0.081,652 -0.035,653 0.083,654 0.003,655 -0.012,656 -0.024,657 1.789,658 4.226,659 0.778,660 27.007,661 1.004,662 1.105,663 3.859,664 14.892,665 0.752,666 3.434,667 3.761,668 4.007,669 4.29,670 4.511,671 4.585,672 4.762,673 4.89,674 4.97,675 5.063,676 6.777,677 0.705,678 392.54,679 3.434,680 4.977,681 5.82,682 6.698,683 7.56,684 8.442,685 9.312,686 10.196,687 11.07,688 11.955,689 9.3,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,731 43,733 23,734 2,735 30,737 46,738 20,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 2,766 1,771 1,775 1,781 16,782 5,783 1,784 7,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 2,848 27,855 1,857 1,863 1,870 2.3,873 1,877 13.5,878 8.6,879 5.833,880 2.476,881 4.321,882 1.561,883 1.022,884 5.083,885 12.028,886 3.761,887 4.41,888 5,889 5.638,890 6.199,891 6.527,892 7.037,893 7.505,894 7.836,895 8.251,896 0.875,897 40,898 9.918,900 4.179,901 7.691,902 18.969,904 15.435,905 2.191,906 59.167,909 1,910 176.567,911 185.472,912 68.367,914 25.145,916 63.497,917 121.975,918 201.711,919 68.367,920 17.65,921 18.011,922 75.81,923 91.977,924 22.371,925 1.439,926 228.293,928 176.567,929 190.342,930 25.145,931 63.497,933 176.567,934 25.145,937 50.803,938 89.182,939 50.357,940 63.497,941 176.567,942 93.512,943 185.472,946 176.567,947 82.964,948 102.508,949 18.011,950 75.502,951 176.567,952 93.512,953 185.472,955 0.582,956 0.325,957 0.179,958 0.099,959 21,960 9,961 0.087,962 4,963 1,964 1.095,965 3.961,966 230.387,967 0.095,968 21,969 126.382,970 2,974 17.934,975 7.653,976 4.114,977 1.86,978 93.512,979 17.858,980 13.523,983 1.452,984 5.519,986 18.011,987 455.551,988 42,993 11.226,997 -0.122,999 43.189,1000 47.534,1001 0.312,1002 0.679,1003 0.822,1004 0.951,1005 0.959,1006 0.959,1007 4.98,1008 1.491,1009 5.802,1010 4.383,1011 4.443,1012 5.097,1013 3.197,1014 6.589,1015 4.313,1016 6.205,1017 1.414,1018 7.341,1019 3.926,1020 4.007,1021 4.902,1022 1.593,1023 7.391,1024 3.817,1025 7.514,1026 1.312,1027 8.975,1028 3.517,1029 6.014,1030 7.341,1031 5.134,1032 10.474,1033 5.758,1034 8.858,1035 1.098,1036 10.663,1037 2.963,1038 6.365,1039 7.954,1040 3.032,1041 12.085,1042 6.039,1043 10.229,1044 0.411,1045 12.386,1046 2.531,1047 7.851,1048 9.867,1049 7.226,1050 14.658,1051 7.477,1052 11.621,1053 0.187,1054 14.133,1055 1.083,1056 8.579,1057 10.89,1058 4.409,1059 16.619,1060 8.13,1061 13.031,1062 -0.229,1063 15.897,1064 0.448,1065 9.84,1066 12.565,1067 9.364,1068 18.994,1069 9.348,1070 3.066,1071 -0.405,1072 17.674,1073 -0.63,1074 10.754,1075 13.804,1076 5.75,1077 21.112,1078 10.188,1079 2.873,1080 9.804,1081 19.46,1082 -0.954,1083 11.915,1084 15.365,1085 11.518,1086 23.41,1087 11.305,1088 2.737,1089 8.983,1090 21.254,1091 4.453,1092 12.919,1093 16.718,1094 7.068,1095 25.6,1096 12.24,1097 2.362,1098 8.647,1099 23.055,1100 3.866,1101 14.038,1102 18.229,1103 13.678,1104 27.869,1105 13.312,1106 2.207,1107 6.786,1108 24.86,1109 3.731,1110 15.087,1111 19.642,1112 8.374,1113 30.093,1114 14.296,1115 1.746,1116 6.469,1117 26.668,1118 3.134,1119 16.189,1120 21.131,1121 15.84,1122 32.352,1123 15.349,1124 1.542,1125 4.465,1126 28.481,1127 2.84,1128 17.262,1129 22.576,1130 9.674,1131 34.594,1132 16.36,1133 8952,1134 15557,1135 20.285,1136 32.341,1137 45.374,1138 47.997,1139 45.882,1140 44.848,1141 44.894,1142 62.364,1143 10.012,1144 128.006,1145 42.023,1146 5.285,1147 6.571,1148 6.031,1149 5.147,1150 5.066,1151 7.453,1152 5.9,1153 16.316,1154 4.904,1155 12.106,1156 1.512,1157 1.6,1158 1.529,1159 1.495,1160 1.496,1161 2.079,1162 0.334,1163 4.267,1164 1.401,1165 4.082,1166 4.1,1167 4.325,1168 4.065,1169 7.43,1170 4.028,1171 3.914,1172 3.938,1173 4.069,1174 3.891,1175 5.031,1176 3.861,1177 3.766,1178 3.809,1179 3.767,1180 3.653,1181 4.896,1182 3.65,1183 3.563,1184 3.609,1185 3.517,1186 3.357,1187 4.716,1188 3.369,1189 3.231,1190 3.27,1191 3.382,1192 3.169,1193 4.297,1194 3.12,1195 3.17,1196 3.257,1197 3.218,1198 3.033,1199 3.918,1200 3.002,1201 2.945,1202 2.974,1203 2.959,1204 2.966,1205 3.899,1206 2.875,1207 2.881,1208 2.934,1209 2.867,1210 2.786,1211 3.827,1212 2.768,1213 0.151,1214 0.152,1215 0.211,1216 0.134,1217 0.102,1218 4.516,1219 0.148,1220 4.571,1221 0.098,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.066,1227 4.453,1228 2.95,1229 9.804,1230 2.904,1231 1.956,1232 1.939,1233 2.017,1234 2.03,1235 1.162,1236 2.034,1237 1.901,1238 1.88,1239 2.001,1240 1.964,1241 1.135,1242 1.987,1243 1.642,1244 1.605,1245 1.733,1246 1.802,1247 0.751,1248 1.784,1249 1.525,1250 1.482,1251 1.715,1252 1.762,1253 0.736,1254 1.758,1255 1.208,1256 1.168,1257 1.552,1258 1.418,1259 0.604,1260 1.469,1261 1.195,1262 1.129,1263 1.25,1264 1.351,1265 0.432,1266 1.381,1267 0.955,1268 0.943,1269 1.113,1270 1.032,1271 0.241,1272 1.085,1273 0.883,1274 0.846,1275 1.074,1276 1.008,1277 0.13,1278 1.045,1279 4.111,1281 5.434,1282 2.398,1283 6.94,1284 4.727,1285 8.531,1286 6.823,1287 10.165,1289 3.558,1296 2.735,1298 1.558,1305 30.335,1306 72.891,1307 158.535,1308 191.82,1309 221.82,1310 223.82,1311 223.82,1312 35.39,1313 7.707,1314 67.77,1315 121.31,1316 23,1317 12.49,1318 4.585,1319 3.7,1320 40.333,1321 109,1322 106,1323 0.18,1324 194.278,1325 322.29,1326 465.797,1327 24627,1329 18.803,1330 0.696,1331 0.607,1332 19.51,1333 16.396,1334 13.081,1335 0.436,1336 0.332,1337 8.401,1338 11.857,1339 7.971,1340 6.65,1341 13.897,1342 9.967,1343 12.111,1344 0.288,1345 0.191,1346 13.448,1347 8.014,1348 9.673,1349 0.179,1350 0.109,1351 11.214,1352 5.886,1353 8.348,1354 0.116,1355 0.061,1356 10.097,1357 4.389,1358 6.716,1359 0.075,1360 0.033,1361 8.27,1362 2.972,1363 0.285,1364 88.904,1365 0.222,1366 26.11,1367 0.485,1368 144,1369 416.725,1370 207.678,1371 454.123,1372 629.34,1373 426,1374 168,1375 439.474,1376 220.694,1377 480.359,1378 703.06,1379 452,1380 7.509}
{0 CHEMBL1773595,1 1.695,2 11.593,3 4.87,4 23.714,5 110.822,6 9.129,7 0.733,8 3.874,9 3.968,10 3.706,11 3.583,12 5.043,13 3.517,14 4.341,15 4.475,16 4.143,17 3.944,18 5.524,19 3.861,20 4.491,21 4.641,22 4.065,23 4.025,24 5.612,25 3.9,26 4.484,27 4.669,28 4.05,29 3.967,30 5.562,31 3.824,32 4.394,33 4.562,34 3.892,35 3.872,36 5.484,37 3.75,38 4.342,39 4.517,40 3.842,41 3.821,42 5.454,43 3.711,44 4.3,45 4.474,46 3.813,47 3.759,48 5.437,49 3.641,50 4.239,51 4.442,52 3.555,53 3.639,54 5.251,55 3.51,56 0.022,57 0.615,58 6.436,59 3.687,60 5.284,61 4.145,62 0.191,63 1.049,64 14.675,65 6.328,66 17.065,67 7.303,68 0.202,69 1.179,70 20.572,71 8.436,72 30.725,73 8.359,74 0.205,75 1.178,76 22.58,77 8.977,78 25.643,79 9.758,80 0.193,81 1.137,82 24.923,83 8.437,84 19.137,85 8.033,86 0.136,87 1.014,88 17.248,89 7.111,90 18.402,91 7.893,92 0.216,93 0.983,94 18.63,95 6.715,96 27.035,97 6.69,98 0.134,99 0.87,100 13.762,101 6.135,102 19.149,103 7.677,104 12,105 42,106 0.289,107 0.629,108 0.769,109 0.889,110 0.889,111 0.889,112 3.34,113 0.996,114 -5.09,115 -4.99,116 -4.67,119 46.5,120 2,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 8,174 1,175 8,178 2,180 2,183 12,187 4,195 10,198 1,199 9,204 2,207 8,212 7,217 2,220 3,223 1,224 8,232 7,237 3,240 1,242 1,245 11,249 1,250 1,258 10,262 1,263 2,266 1,268 1,271 9,275 1148,276 18.204,277 18.204,278 18.204,279 18.204,280 18.204,281 15.451,282 12.758,283 10.808,284 18.792,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.748,291 14.308,292 5.236,293 15.947,294 3.731,295 1.739,296 0.919,297 0.221,298 0.221,299 0.221,300 4.039,304 1,305 1,306 680,307 3,310 62.168,311 243.498,314 109.027,318 1.948,319 18.697,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 57,331 313,332 4.516,333 4.555,334 6.343,335 4.005,336 3.065,337 4.453,338 2.95,339 9.802,340 2.904,341 4.205,342 3.536,343 6.076,344 3.739,345 2.827,346 3.836,347 1.907,348 8.923,349 2.584,350 4.039,351 3.162,352 5.622,353 3.61,354 2.658,355 3.638,356 0.149,357 7.795,358 2.536,359 3.727,360 3.03,361 5.269,362 3.314,363 2.367,364 3.143,366 6.706,367 2.255,368 3.582,369 2.68,370 5.184,371 3.172,372 2.234,373 2.85,375 6.431,376 2.033,377 3.265,378 2.443,379 4.686,380 2.828,381 1.875,382 2.522,384 5.118,385 1.768,386 3.162,387 2.115,388 4.456,389 2.664,390 1.724,391 2.379,393 4.413,394 1.58,395 3.017,396 1.608,397 4.379,398 2.451,399 1.523,400 2.261,402 4.381,403 1.397,404 2.848,405 1.517,406 4.215,407 2.349,408 1.388,409 1.997,411 3.739,412 1.319,413 2.656,414 1.306,415 3.492,416 2.169,417 1.179,418 1.73,420 2.604,421 1.163,422 2.589,423 1.118,424 3.472,425 2.033,426 1.098,427 1.632,428 2.522,429 1.023,430 1.903,431 0.687,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.295,439 0.589,440 2.889,441 0.859,447 1.106,448 0.411,449 2.645,450 0.692,451 -0.23,452 -0.277,454 -0.632,455 -0.208,456 0.923,457 0.33,458 2.508,459 0.579,460 -0.413,461 -0.518,463 -0.93,464 -0.409,465 13.6,466 0.504,467 0.694,468 0.026,469 39.75,470 1.472,471 22.5,472 0.833,473 17.25,474 0.639,475 20.067,476 0.743,477 26.6,478 0.619,479 26.481,480 0.981,481 7.57,482 0.28,483 5.494,484 0.203,485 0.098,487 0.331,493 0.721,494 1.053,495 0.688,496 0.784,497 0.625,498 0.776,499 0.488,500 1.038,501 0.723,502 0.911,503 0.518,504 0.804,505 1.356,506 1.049,507 1.234,508 1.052,509 1.347,510 1.011,511 0.71,512 1.051,513 1.048,514 1.048,515 0.553,516 0.958,517 1.172,518 1.19,519 1.578,520 1.361,521 0.817,522 1.056,523 0.865,524 1.052,525 0.992,526 1.004,527 0.639,528 0.982,529 1.315,530 0.897,531 0.949,532 0.891,533 1.337,534 1.009,535 0.696,536 0.97,537 0.726,538 0.891,539 0.768,540 1.076,541 6.5,542 0.152,543 2,544 1.979,545 1.098,546 0.837,547 0.555,548 0.319,549 0.237,550 0.148,551 9525,552 27998,553 2.12,554 37.2,555 3,556 8,558 1,559 1,560 3,564 1.698,565 2,566 3.526,567 -0.309,573 72.891,574 1.695,575 3.687,576 4.507,577 5.205,578 5.205,579 5.205,580 2.967,581 4.459,582 4.723,583 3.685,584 1293.38,585 8.187,586 16856.1,588 1,591 233.329,592 1.352,593 4.694,594 0.217,595 0.008,596 0.048,597 0.051,598 0.03,599 0.025,600 0.017,601 0.011,602 0.01,603 0.007,604 0.423,605 0.17,606 1,607 0.881,608 135.154,609 -0.046,610 -0.066,611 0.057,612 0.049,613 -0.09,614 0.034,615 0.334,616 -0.02,617 0.209,618 0.032,619 0.154,620 0.081,621 -0.281,622 -0.023,623 -0.173,624 -0.021,625 -0.246,626 -0.093,627 0.11,628 -0.041,629 0.069,630 0.022,631 0.122,632 0.04,633 -0.21,634 -0.086,635 -0.318,636 -0.214,637 -0.089,638 -0.098,639 -0.02,640 -0.052,641 -0.057,642 -0.059,643 0.079,644 -0.042,645 -0.197,646 0.121,647 -0.049,648 0.022,649 -0.206,650 -0.101,651 0.058,652 -0.068,653 0.036,654 -0.046,655 -0.047,656 -0.094,657 1.789,658 4.223,659 0.778,660 27.578,661 1.004,662 1.105,663 3.859,664 14.892,665 0.752,666 3.434,667 3.761,668 3.989,669 4.29,670 4.5,671 4.595,672 4.754,673 4.89,674 4.963,675 5.069,676 6.853,677 0.705,678 392.54,679 3.434,680 4.977,681 5.814,682 6.693,683 7.548,684 8.432,685 9.295,686 10.181,687 11.05,688 11.937,689 9.3,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,731 43,733 23,734 2,735 30,737 46,738 20,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 2,766 1,771 1,775 1,781 16,782 5,783 1,784 7,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 2,848 27,855 1,857 1,863 1,870 2.3,873 1,877 13.5,878 8.6,879 5.806,880 2.469,881 4.289,882 1.557,883 1.022,884 5.083,885 11.996,886 3.761,887 4.41,888 4.99,889 5.641,890 6.194,891 6.534,892 7.032,893 7.507,894 7.833,895 8.257,896 0.875,897 39,898 9.918,900 4.179,901 7.691,902 18.969,904 15.43,905 2.191,906 59.167,909 1,910 176.567,911 185.472,912 68.367,914 25.145,916 63.497,917 121.975,918 201.711,919 68.367,920 17.65,921 18.011,922 75.81,923 91.977,924 22.371,925 1.439,926 228.293,928 176.567,929 190.342,930 25.145,931 63.497,933 176.567,934 25.145,937 50.803,938 89.182,939 50.357,940 63.497,941 176.567,942 93.512,943 185.472,946 176.567,947 82.964,948 102.508,949 18.011,950 75.502,951 176.567,952 93.512,953 185.472,955 0.582,956 0.317,957 0.179,958 0.098,959 21,960 9,961 0.087,962 4,963 1,964 1.095,965 3.978,966 229.388,967 0.095,968 21,969 126.382,970 2,974 17.934,975 7.653,976 4.278,977 1.86,978 93.512,979 17.936,980 13.499,983 1.451,984 5.492,986 18.011,987 455.551,988 42,993 11.223,997 -0.122,999 43.189,1000 47.534,1001 0.312,1002 0.679,1003 0.831,1004 0.959,1005 0.959,1006 0.959,1007 4.98,1008 1.523,1009 5.796,1010 4.413,1011 4.443,1012 5.097,1013 3.197,1014 6.572,1015 4.313,1016 6.205,1017 1.388,1018 7.326,1019 4.381,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.817,1025 7.512,1026 1.179,1027 8.946,1028 3.739,1029 6.004,1030 7.335,1031 5.134,1032 10.412,1033 5.749,1034 8.851,1035 1.098,1036 10.618,1037 2.604,1038 6.33,1039 7.93,1040 3.032,1041 11.98,1042 6.005,1043 10.217,1044 0.411,1045 12.324,1046 2.522,1047 7.818,1048 9.848,1049 7.226,1050 14.555,1051 7.446,1052 11.603,1054 14.053,1055 1.083,1056 8.52,1057 10.855,1058 4.409,1059 16.492,1060 8.072,1061 13.005,1062 -0.23,1063 15.8,1065 9.783,1066 12.535,1067 9.364,1068 18.869,1069 9.294,1070 3.065,1071 -0.413,1072 17.561,1073 -0.632,1074 10.677,1075 13.765,1076 5.75,1077 20.979,1078 10.114,1079 2.827,1080 9.802,1081 19.334,1082 -0.93,1083 11.839,1084 15.331,1085 11.518,1086 23.28,1087 11.233,1088 2.658,1089 8.923,1090 21.116,1091 4.453,1092 12.831,1093 16.68,1094 7.068,1095 25.47,1096 12.156,1097 2.367,1098 7.795,1099 22.905,1100 3.836,1101 13.949,1102 18.194,1103 13.678,1104 27.743,1105 13.229,1106 2.234,1107 6.706,1108 24.701,1109 3.638,1110 14.993,1111 19.607,1112 8.374,1113 29.972,1114 14.208,1115 1.875,1116 6.431,1117 26.503,1118 3.143,1119 16.094,1120 21.1,1121 15.84,1122 32.237,1123 15.261,1124 1.724,1125 5.118,1126 28.309,1127 2.85,1128 17.164,1129 22.546,1130 9.674,1131 34.484,1132 16.271,1133 9037,1134 15678,1135 20.285,1136 32.341,1137 45.419,1138 47.745,1139 45.689,1140 44.739,1141 44.699,1142 62.104,1143 10.012,1144 127.033,1145 41.857,1146 5.281,1147 6.555,1148 5.901,1149 5.145,1150 5.065,1151 7.453,1152 5.9,1153 16.31,1154 4.904,1155 12.217,1156 1.514,1157 1.592,1158 1.523,1159 1.491,1160 1.49,1161 2.07,1162 0.334,1163 4.234,1164 1.395,1165 4.082,1166 4.1,1167 4.325,1168 4.065,1169 7.43,1170 4.027,1171 3.913,1172 3.938,1173 4.064,1174 3.888,1175 5.031,1176 3.859,1177 3.768,1178 3.81,1179 3.769,1180 3.655,1181 4.896,1182 3.652,1183 3.563,1184 3.609,1185 3.523,1186 3.358,1187 4.715,1188 3.369,1189 3.237,1190 3.278,1191 3.392,1192 3.179,1193 4.297,1194 3.126,1195 3.17,1196 3.245,1197 3.241,1198 3.077,1199 3.919,1200 3.024,1201 2.937,1202 2.972,1203 2.916,1204 2.909,1205 3.898,1206 2.848,1207 2.881,1208 2.934,1209 2.864,1210 2.786,1211 3.819,1212 2.767,1213 0.151,1214 0.152,1215 0.211,1216 0.133,1217 0.102,1218 4.516,1219 0.148,1220 4.555,1221 0.098,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.065,1227 4.453,1228 2.95,1229 9.802,1230 2.904,1231 1.956,1232 1.939,1233 2.018,1234 2.029,1235 1.161,1236 2.034,1237 1.902,1238 1.88,1239 2.002,1240 1.966,1241 1.132,1242 1.988,1243 1.644,1244 1.606,1245 1.733,1246 1.803,1247 0.754,1248 1.785,1249 1.525,1250 1.482,1251 1.716,1252 1.763,1253 0.737,1254 1.758,1255 1.209,1256 1.168,1257 1.532,1258 1.404,1259 0.606,1260 1.457,1261 1.195,1262 1.14,1263 1.25,1264 1.35,1265 0.432,1266 1.381,1267 0.95,1268 0.93,1269 1.091,1270 1.03,1271 0.24,1272 1.084,1273 0.883,1274 0.846,1275 1.074,1276 1.007,1277 0.129,1278 1.045,1279 4.111,1281 5.434,1282 2.398,1283 6.934,1284 4.727,1285 8.518,1286 6.823,1287 10.146,1289 3.548,1296 2.734,1298 1.546,1305 30.335,1306 72.891,1307 158.535,1308 193.82,1309 223.82,1310 223.82,1311 223.82,1312 35.209,1313 7.707,1314 67.77,1315 121.31,1316 23,1317 12.472,1318 4.585,1319 3.7,1320 40.349,1321 110,1322 106,1323 0.178,1324 194.278,1325 322.29,1326 465.797,1327 24627,1329 18.803,1330 0.696,1331 0.607,1332 19.51,1333 16.396,1334 13.064,1335 0.435,1336 0.332,1337 8.395,1338 11.825,1339 7.962,1340 6.646,1341 13.88,1342 9.961,1343 12.226,1344 0.291,1345 0.193,1346 13.59,1347 8.097,1348 9.459,1349 0.178,1350 0.106,1351 10.898,1352 5.602,1353 8.422,1354 0.117,1355 0.062,1356 10.208,1357 4.434,1358 6.602,1359 0.074,1360 0.033,1361 8.112,1362 2.918,1363 0.283,1364 88.803,1365 0.222,1366 26.164,1367 0.478,1368 144,1369 416.725,1370 207.678,1371 454.39,1372 628.82,1373 426,1374 167,1375 438.474,1376 218.024,1377 479.773,1378 700.72,1379 451,1380 7.276}
{0 CHEMBL1773596,1 1.695,2 12.111,3 4.87,4 23.714,5 110.822,6 9.129,7 0.733,8 3.874,9 3.968,10 3.706,11 3.583,12 5.043,13 3.517,14 4.341,15 4.475,16 4.143,17 3.944,18 5.523,19 3.861,20 4.491,21 4.641,22 4.065,23 4.025,24 5.615,25 3.9,26 4.483,27 4.669,28 4.008,29 3.952,30 5.563,31 3.809,32 4.388,33 4.576,34 3.908,35 3.845,36 5.472,37 3.731,38 4.308,39 4.469,40 3.824,41 3.824,42 5.421,43 3.701,44 4.249,45 4.405,46 3.813,47 3.741,48 5.391,49 3.621,50 4.252,51 4.47,52 3.555,53 3.61,54 5.282,55 3.492,56 0.022,57 0.615,58 6.436,59 3.687,60 5.284,61 4.145,62 0.191,63 1.049,64 14.675,65 6.328,66 17.036,67 7.303,68 0.202,69 1.179,70 20.572,71 8.436,72 30.557,73 8.359,74 0.205,75 1.178,76 23.118,77 9.042,78 25.909,79 9.763,80 0.19,81 1.112,82 21.987,83 7.819,84 21.024,85 8.018,86 0.154,87 1.007,88 19.515,89 7.42,90 17.563,91 7.527,92 0.141,93 0.902,94 17.323,95 6.738,96 20.649,97 7.013,98 0.194,99 0.918,100 14.732,101 5.912,102 24.421,103 7.1,104 12,105 42,106 0.289,107 0.629,108 0.754,109 0.857,110 0.857,111 0.857,112 3.34,113 0.996,114 -5.09,115 -4.99,116 -4.67,119 46.5,120 2,142 8,143 2,144 1,145 1,146 2,150 1,152 1,158 1,162 1,172 8,174 1,175 8,178 2,180 2,183 12,187 4,195 11,198 1,199 9,204 2,207 6,212 7,217 2,220 4,223 1,224 6,232 7,237 5,240 1,242 1,245 11,249 1,250 1,258 8,262 1,263 2,266 1,268 1,271 9,275 1161,276 18.204,277 18.204,278 18.204,279 18.204,280 18.204,281 15.451,282 12.758,283 10.775,284 18.792,285 14.875,286 14.875,287 14.875,288 14.875,289 14.875,290 10.742,291 13.602,292 5.222,293 15.934,294 3.731,295 1.739,296 1.012,297 0.407,298 0.407,299 0.407,300 4.039,304 1,305 1,306 711,307 3,310 62.631,311 245.153,314 109.879,318 1.975,319 18.705,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 57,331 327,332 4.516,333 4.554,334 6.343,335 4.005,336 3.065,337 4.453,338 2.95,339 9.802,340 2.904,341 4.202,342 3.536,343 6.076,344 3.736,345 2.823,346 3.833,347 1.907,348 8.921,349 2.581,350 4.014,351 3.153,352 5.575,353 3.582,354 2.633,355 3.609,356 0.149,357 7.647,358 2.511,359 3.731,360 3.028,361 5.262,362 3.317,363 2.37,364 3.148,366 6.658,367 2.256,368 3.592,369 2.678,370 5.15,371 3.197,372 2.25,373 2.86,375 6.357,376 2.064,377 3.349,378 2.495,379 4.82,380 2.907,381 1.956,382 2.643,384 5.479,385 1.842,386 3.174,387 2.115,388 4.459,389 2.669,390 1.73,391 2.386,393 4.422,394 1.583,395 3.018,396 1.609,397 4.379,398 2.451,399 1.523,400 2.264,402 4.382,403 1.397,404 2.847,405 1.517,406 4.218,407 2.345,408 1.387,409 1.996,411 3.747,412 1.314,413 2.591,414 1.121,415 3.484,416 2.034,417 1.1,418 1.634,420 2.538,421 1.024,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.903,431 0.951,432 3.163,433 1.314,434 0.411,435 0.611,436 1.083,437 0.365,438 1.46,439 0.589,440 2.913,441 1.085,442 0.194,443 0.236,445 0.471,446 0.168,447 1.107,448 0.458,449 2.645,450 0.692,451 -0.229,452 -0.277,454 -0.63,455 -0.208,456 0.944,457 0.403,458 2.508,459 0.522,460 -0.404,461 -0.51,463 -0.959,464 -0.368,465 13.6,466 0.504,467 0.694,468 0.026,469 39.75,470 1.472,471 22.5,472 0.833,473 17.25,474 0.639,475 19.945,476 0.739,477 26.6,478 0.619,479 26.456,480 0.98,481 7.57,482 0.28,483 5.494,484 0.203,485 0.098,487 0.331,493 0.721,494 1.053,495 0.688,496 0.784,497 0.625,498 0.776,499 0.488,500 1.038,501 0.723,502 0.911,503 0.52,504 0.804,505 1.356,506 1.049,507 1.234,508 1.052,509 1.339,510 1.011,511 0.724,512 1.099,513 1.117,514 1.121,515 0.579,516 1.019,517 1.106,518 1.046,519 1.192,520 1.05,521 0.774,522 0.885,523 0.991,524 1.057,525 1.365,526 1.221,527 0.72,528 1.065,529 1.021,530 1.104,531 0.896,532 1.033,533 1.202,534 1.104,535 0.987,536 0.839,537 0.748,538 0.755,539 0.899,540 0.943,541 6.5,542 0.151,543 2.222,544 1.729,545 1.178,546 0.782,547 0.596,548 0.352,549 0.22,550 0.184,551 9617,552 28162,553 2.12,554 37.2,555 3,556 8,558 1,559 1,560 3,564 1.698,565 2,566 3.571,567 -0.309,573 72.891,574 1.695,575 3.687,576 4.414,577 5.019,578 5.019,579 5.019,580 3.087,581 4.31,582 4.722,583 3.713,584 1303.15,585 8.182,586 17011.3,588 1,591 233.329,592 1.352,593 4.694,594 0.217,595 0.008,596 0.053,597 0.044,598 0.034,599 0.023,600 0.019,601 0.012,602 0.009,603 0.008,604 0.427,605 0.17,606 1,607 0.881,608 135.393,609 -0.046,610 -0.066,611 0.057,612 0.049,613 -0.09,614 0.034,615 0.334,616 -0.02,617 0.209,618 0.032,619 0.153,620 0.081,621 -0.281,622 -0.023,623 -0.173,624 -0.021,625 -0.238,626 -0.093,627 0.096,628 -0.089,630 -0.053,631 0.096,632 -0.023,633 -0.143,634 0.028,635 -0.074,636 0.003,637 -0.033,638 0.076,639 -0.117,640 -0.012,641 -0.248,642 -0.156,643 0.006,644 -0.121,645 -0.027,646 -0.152,647 0.004,648 -0.101,649 -0.098,650 -0.178,651 -0.07,652 0.136,653 0.034,654 0.082,655 -0.111,656 0.019,657 1.789,658 4.221,659 0.778,660 28.148,661 1.004,662 1.105,663 3.859,664 14.892,665 0.752,666 3.434,667 3.761,668 3.989,669 4.277,670 4.511,671 4.585,672 4.762,673 4.883,674 4.963,675 5.069,676 6.937,677 0.705,678 392.54,679 3.434,680 4.977,681 5.814,682 6.691,683 7.547,684 8.427,685 9.293,686 10.175,687 11.047,688 11.931,689 9.3,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,731 43,733 23,734 2,735 30,737 46,738 20,739 17,740 5,741 7,746 4,747 5,752 2,761 18,762 2,766 1,771 1,775 1,781 16,782 5,783 1,784 7,785 2,790 4,794 0.75,795 1,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 2,848 27,855 1,857 1,863 1,870 2.3,873 1,877 13.5,878 8.6,879 5.806,880 2.469,881 4.279,882 1.555,883 1.022,884 5.083,885 11.986,886 3.761,887 4.41,888 4.99,889 5.633,890 6.203,891 6.527,892 7.036,893 7.504,894 7.833,895 8.257,896 1,897 39,898 9.918,900 4.179,901 7.691,902 18.969,904 15.43,905 2.191,906 59.167,909 1,910 176.567,911 185.472,912 68.367,914 25.145,916 63.497,917 121.975,918 201.711,919 68.367,920 17.65,921 18.011,922 75.81,923 91.977,924 22.371,925 1.439,926 228.293,928 176.567,929 190.342,930 25.145,931 63.497,933 176.567,934 25.145,937 50.803,938 89.182,939 50.357,940 63.497,941 176.567,942 93.512,943 185.472,946 176.567,947 82.964,948 102.508,949 18.011,950 75.502,951 176.567,952 93.512,953 185.472,955 0.583,956 0.318,957 0.175,958 0.1,959 21,960 9,961 0.087,962 4,963 1,964 1.095,965 3.99,966 228.709,967 0.095,968 21,969 122.382,970 2,974 17.934,975 7.653,976 4.278,977 1.86,978 93.512,979 17.957,980 13.483,983 1.451,984 5.499,986 18.011,987 455.551,988 42,993 11.221,997 -0.122,999 43.189,1000 47.534,1001 0.312,1002 0.679,1003 0.814,1004 0.925,1005 0.925,1006 0.925,1007 4.98,1008 1.523,1009 5.796,1010 4.422,1011 4.443,1012 5.097,1013 3.197,1014 6.569,1015 4.313,1016 6.205,1017 1.387,1018 7.326,1019 4.382,1020 4.007,1021 4.902,1022 1.593,1023 7.334,1024 3.817,1025 7.512,1026 1.1,1027 8.945,1028 3.747,1029 6.004,1030 7.335,1031 5.134,1032 10.402,1033 5.749,1034 8.851,1035 1,1036 10.617,1037 2.538,1038 6.33,1039 7.93,1040 3.032,1041 11.972,1042 6.005,1043 10.216,1044 0.411,1045 12.321,1046 2.275,1047 7.816,1048 9.847,1049 7.226,1050 14.54,1051 7.443,1052 11.602,1053 0.194,1054 14.049,1055 1.083,1056 8.514,1057 10.851,1058 4.409,1059 16.479,1060 8.066,1061 13.004,1062 -0.229,1063 15.795,1064 0.471,1065 9.776,1066 12.53,1067 9.364,1068 18.854,1069 9.286,1070 3.065,1071 -0.404,1072 17.555,1073 -0.63,1074 10.667,1075 13.759,1076 5.75,1077 20.966,1078 10.103,1079 2.823,1080 9.802,1081 19.326,1082 -0.959,1083 11.828,1084 15.325,1085 11.518,1086 23.266,1087 11.222,1088 2.633,1089 8.921,1090 21.107,1091 4.453,1092 12.819,1093 16.673,1094 7.068,1095 25.459,1096 12.142,1097 2.37,1098 7.647,1099 22.896,1100 3.833,1101 13.936,1102 18.188,1103 13.678,1104 27.732,1105 13.215,1106 2.25,1107 6.658,1108 24.691,1109 3.609,1110 14.979,1111 19.601,1112 8.374,1113 29.963,1114 14.193,1115 1.956,1116 6.357,1117 26.492,1118 3.148,1119 16.08,1120 21.094,1121 15.84,1122 32.228,1123 15.247,1124 1.73,1125 5.479,1126 28.299,1127 2.86,1128 17.15,1129 22.541,1130 9.674,1131 34.477,1132 16.256,1133 9123,1134 15800,1135 20.285,1136 32.341,1137 45.394,1138 47.953,1139 45.714,1140 44.847,1141 44.886,1142 62.352,1143 10.012,1144 127.566,1145 42.017,1146 5.279,1147 6.554,1148 5.891,1149 5.145,1150 5.065,1151 7.453,1152 5.9,1153 16.309,1154 4.904,1155 12.313,1156 1.513,1157 1.598,1158 1.524,1159 1.495,1160 1.496,1161 2.078,1162 0.334,1163 4.252,1164 1.401,1165 4.082,1166 4.1,1167 4.325,1168 4.065,1169 7.43,1170 4.027,1171 3.913,1172 3.938,1173 4.063,1174 3.887,1175 5.031,1176 3.859,1177 3.769,1178 3.811,1179 3.769,1180 3.656,1181 4.896,1182 3.653,1183 3.563,1184 3.609,1185 3.526,1186 3.359,1187 4.714,1188 3.37,1189 3.241,1190 3.282,1191 3.397,1192 3.189,1193 4.297,1194 3.134,1195 3.169,1196 3.236,1197 3.252,1198 3.098,1199 3.921,1200 3.041,1201 2.893,1202 2.944,1203 2.878,1204 2.803,1205 3.895,1206 2.782,1207 2.854,1208 2.925,1209 2.763,1210 2.735,1211 3.792,1212 2.715,1213 0.151,1214 0.152,1215 0.211,1216 0.133,1217 0.102,1218 4.516,1219 0.148,1220 4.554,1221 0.098,1222 6.343,1223 0.327,1224 4.005,1225 0.097,1226 3.065,1227 4.453,1228 2.95,1229 9.802,1230 2.904,1231 1.956,1232 1.938,1233 2.019,1234 2.029,1235 1.161,1236 2.034,1237 1.902,1238 1.88,1239 2.003,1240 1.967,1241 1.131,1242 1.989,1243 1.644,1244 1.607,1245 1.734,1246 1.803,1247 0.756,1248 1.786,1249 1.525,1250 1.482,1251 1.716,1252 1.763,1253 0.737,1254 1.758,1255 1.21,1256 1.169,1257 1.511,1258 1.389,1259 0.608,1260 1.444,1261 1.194,1262 1.151,1263 1.25,1264 1.349,1265 0.432,1266 1.381,1267 0.906,1268 0.878,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.011,1277 0.135,1278 1.045,1279 4.111,1281 5.434,1282 2.398,1283 6.934,1284 4.727,1285 8.517,1286 6.823,1287 10.143,1289 3.546,1296 2.733,1298 1.54,1305 30.335,1306 72.891,1307 158.535,1308 189.82,1309 215.82,1310 215.82,1311 215.82,1312 35.218,1313 7.707,1314 67.77,1315 121.31,1316 23,1317 12.467,1318 4.585,1319 3.7,1320 40.376,1321 111,1322 116,1323 0.176,1324 194.278,1325 322.29,1326 465.797,1327 24627,1329 18.803,1330 0.696,1331 0.607,1332 19.51,1333 16.396,1334 13.064,1335 0.435,1336 0.332,1337 8.395,1338 11.825,1339 7.962,1340 6.645,1341 13.88,1342 9.961,1343 12.215,1344 0.291,1345 0.193,1346 13.578,1347 8.094,1348 9.549,1349 0.18,1350 0.107,1351 11.007,1352 5.652,1353 8.213,1354 0.116,1355 0.06,1356 9.913,1357 4.242,1358 6.757,1359 0.075,1360 0.034,1361 8.345,1362 3.038,1363 0.28,1364 88.803,1365 0.222,1366 26.223,1367 0.471,1368 144,1369 416.725,1370 207.678,1371 454.325,1372 628.8,1373 426,1374 167,1375 438.474,1376 218.024,1377 479.637,1378 700.47,1379 451,1380 7.229}
{0 CHEMBL1773597,1 1.768,2 11.679,3 4.367,4 19.072,5 112.244,6 9.285,7 0.71,8 3.908,9 3.995,10 3.746,11 3.581,12 5.103,13 3.53,14 4.374,15 4.499,16 4.17,17 3.93,18 5.577,19 3.865,20 4.497,21 4.635,22 4.158,23 4.015,24 5.653,25 3.918,26 4.484,27 4.631,28 4.117,29 3.995,30 5.62,31 3.874,32 4.486,33 4.647,34 3.979,35 3.936,36 5.612,37 3.822,38 4.457,39 4.643,40 3.905,41 3.876,42 5.559,43 3.772,44 4.375,45 4.549,46 3.873,47 3.79,48 5.514,49 3.686,50 4.294,51 4.487,52 3.631,53 3.667,54 5.336,55 3.557,56 0.053,57 0.637,58 6.256,59 3.861,60 5.931,61 4.06,62 0.281,63 1.067,64 15.051,65 6.518,66 21.291,67 6.839,68 0.299,69 1.175,70 20.18,71 8.352,72 33.29,73 7.699,74 0.269,75 1.174,76 21.141,77 8.732,78 24.697,79 8.568,80 0.332,81 1.214,82 25.839,83 9.04,84 24.285,85 8.725,86 0.221,87 1.128,88 19.481,89 7.965,90 23.249,91 8.789,92 0.289,93 1.035,94 19.854,95 7.26,96 30.729,97 7.087,98 0.199,99 0.903,100 14.131,101 6.412,102 21.853,103 7.684,104 15,105 43,106 0.3,107 0.647,108 0.791,109 0.884,110 0.891,111 0.891,112 3.374,113 0.975,114 -4.32,115 -4.25,116 -4.01,119 45.5,120 1,124 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 6,174 1,175 9,178 2,180 2,183 7,187 7,195 8,198 1,199 8,204 2,207 6,211 2,212 7,217 2,220 3,223 1,224 6,232 5,237 5,240 1,242 1,245 9,249 1,250 3,258 7,262 1,263 3,266 1,268 1,271 6,275 1258,276 19.127,277 19.127,278 19.127,279 19.127,280 19.127,281 16.398,282 13.498,283 11.351,284 19.877,285 15.307,286 15.307,287 15.307,288 15.307,289 15.307,290 11.148,291 15.481,292 5.365,293 16.534,294 3.692,295 1.654,296 0.807,297 0.262,298 0.216,299 0.216,300 4.074,304 1,305 1,306 707,307 3.162,310 64.501,311 252.352,314 112.882,318 1.964,319 21.736,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 327,332 4.516,333 4.574,334 6.344,335 4.005,336 3.066,337 4.453,338 2.95,339 9.805,340 2.904,341 4.253,342 3.536,343 6.166,344 3.801,345 2.895,346 3.876,347 1.907,348 9.168,349 2.624,350 4.134,351 3.267,352 6.062,353 3.693,354 2.754,355 3.747,356 0.86,357 8.84,358 2.567,359 3.722,360 3.039,361 5.313,362 3.311,363 2.367,364 3.135,365 0.149,366 6.847,367 2.254,368 3.57,369 2.698,370 5.231,371 3.138,372 2.216,373 2.841,375 6.504,376 1.996,377 3.191,378 2.425,379 4.482,380 2.689,381 1.749,382 2.401,384 4.495,385 1.601,386 3.026,387 2.113,388 4.389,389 2.498,390 1.575,391 2.278,393 4.384,394 1.443,395 2.935,396 1.633,397 4.337,398 2.457,399 1.518,400 2.11,402 4.101,403 1.423,404 2.917,405 1.572,406 4.181,407 2.429,408 1.467,409 2.08,411 3.647,412 1.383,413 2.775,414 1.515,415 3.62,416 2.279,417 1.317,418 1.895,420 3.012,421 1.255,422 2.59,423 1.118,424 3.481,425 2.033,426 1.098,427 1.633,428 2.531,429 1.023,430 1.903,431 0.942,432 3.163,433 1.412,434 0.534,435 0.625,436 1.084,437 0.463,438 1.738,439 0.699,440 2.924,441 1.314,442 0.411,443 0.609,445 0.915,446 0.364,447 1.243,448 0.589,449 2.659,450 0.848,456 1.105,457 0.417,458 2.607,459 0.692,460 -0.23,461 -0.277,463 -0.631,464 -0.208,465 13.933,466 0.498,467 0.639,468 0.023,469 41.25,470 1.473,471 23,472 0.821,473 18.25,474 0.652,475 20.579,476 0.735,477 28.067,478 0.638,479 28.599,480 1.021,481 8.029,482 0.287,483 5.589,484 0.2,485 0.096,487 0.323,493 0.787,494 1.103,495 0.683,496 0.824,497 0.638,498 0.792,499 0.855,500 1.011,501 0.756,502 0.876,503 0.643,504 0.766,505 1.287,506 1.016,507 1.146,508 1,509 1.331,510 0.906,511 0.896,512 1.135,513 1.214,514 1.168,515 0.652,516 1.045,517 0.888,518 1.187,519 1.506,520 1.347,521 0.726,522 1.107,523 0.792,524 1.023,525 0.954,526 0.975,527 0.633,528 0.981,529 1.19,530 0.883,531 0.92,532 0.87,533 1.27,534 0.984,535 0.786,536 0.978,537 0.731,538 0.894,539 0.765,540 1.076,541 6,542 0.16,543 2.444,544 1.854,545 1.298,546 0.844,547 0.536,548 0.402,549 0.212,550 0.158,551 10312,552 32327,553 2.115,554 36.4,556 11,558 1,559 1,560 3,564 1.708,565 2,566 3.53,567 -0.288,569 1,573 77.776,574 1.768,575 3.805,576 4.652,577 5.198,578 5.243,579 5.243,580 2.968,581 4.45,582 4.777,583 3.7,584 1398.6,585 8.297,586 18693.6,588 1,590 1,591 240.215,592 1.333,593 4.748,594 0.194,595 0.008,596 0.057,597 0.044,598 0.033,599 0.023,600 0.015,601 0.013,602 0.008,603 0.007,604 0.401,605 0.17,606 1,607 0.961,608 141.684,609 -0.059,610 -0.101,611 0.056,612 0.025,613 -0.085,614 0.019,615 0.122,616 0.016,617 0.183,618 0.083,619 0.08,620 0.114,621 -0.228,622 0.025,623 -0.076,624 0.045,625 -0.218,626 0.007,627 -0.032,628 -0.097,629 -0.08,630 -0.077,631 0.036,632 -0.09,633 -0.019,634 -0.105,635 -0.303,636 -0.224,637 -0.023,638 -0.143,639 -0.026,640 -0.025,641 -0.028,642 -0.035,643 0.066,644 -0.01,645 -0.175,646 0.122,647 -0.021,648 0.047,649 -0.191,650 -0.054,651 0.015,652 -0.077,653 0.034,654 -0.051,655 -0.036,656 -0.092,657 1.798,658 4.239,659 0.75,660 28.423,661 1.012,662 1.108,663 3.087,664 9.53,665 0.745,666 3.466,667 3.784,668 4.043,669 4.331,670 4.543,671 4.625,672 4.796,673 4.92,674 5.004,675 5.106,676 6.948,677 0.706,678 408.54,679 3.466,680 5.004,681 5.849,682 6.727,683 7.59,684 8.473,685 9.344,686 10.229,687 11.104,688 11.989,689 9.1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 44,733 23,734 2,735 31,737 47,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,781 16,782 6,783 1,784 8,785 2,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 2,848 28,855 1,856 1,857 1,863 1,870 4.5,873 1,875 1,877 14,878 8.767,879 6.167,880 2.435,881 4.378,882 1.561,883 1.01,884 5.556,885 12.176,886 3.784,887 4.422,888 5.02,889 5.659,890 6.215,891 6.548,892 7.056,893 7.517,894 7.849,895 8.269,896 0.875,897 42,898 10.272,900 4.308,901 7.738,902 19.504,904 15.679,905 2.238,906 62.667,909 1,910 176.567,911 189.588,912 68.367,914 36.145,916 63.497,917 126.091,918 212.711,919 68.367,920 19.708,921 18.011,922 75.81,923 91.977,924 35.429,925 1.439,926 228.293,928 176.567,929 194.458,930 36.145,931 63.497,933 176.567,934 36.145,937 41.978,938 102.123,939 50.357,940 63.497,941 176.567,942 104.512,943 189.588,946 176.567,947 85.022,948 104.566,949 18.011,950 86.501,951 176.567,952 104.512,953 189.588,955 0.575,956 0.329,957 0.186,958 0.1,959 21,960 9,961 0.106,962 5,963 1,964 1.095,965 4.033,966 241.826,967 0.095,968 21,969 134.606,970 2,974 18.851,975 8.253,976 4.344,977 1.828,978 104.512,979 17.337,980 13.476,983 1.438,984 4.775,986 18.011,987 470.666,988 43,993 11.239,997 -0.131,999 44.516,1000 48.743,1001 0.324,1002 0.697,1003 0.852,1004 0.952,1005 0.96,1006 0.96,1007 5.001,1008 1.518,1009 5.826,1010 4.384,1011 4.466,1012 5.109,1013 3.255,1014 6.616,1015 4.32,1016 6.219,1017 1.467,1018 7.366,1019 4.101,1020 4.007,1021 4.902,1022 1.593,1023 7.434,1024 3.791,1025 7.527,1026 1.317,1027 9,1028 3.647,1029 6.038,1030 7.35,1031 5.141,1032 10.517,1033 5.753,1034 8.87,1035 1.098,1036 10.691,1037 3.012,1038 6.382,1039 7.962,1040 3.032,1041 12.15,1042 6.013,1043 10.241,1044 0.534,1045 12.417,1046 2.531,1047 7.877,1048 9.876,1049 7.227,1050 14.719,1051 7.461,1052 11.635,1053 0.411,1054 14.167,1055 1.084,1056 8.605,1057 10.9,1058 4.409,1059 16.697,1060 8.101,1061 13.045,1063 15.935,1064 0.915,1065 9.87,1066 12.574,1067 9.364,1068 19.073,1069 9.323,1070 3.066,1071 -0.23,1072 17.716,1074 10.786,1075 13.814,1076 5.75,1077 21.202,1078 10.155,1079 2.895,1080 9.805,1081 19.506,1082 -0.631,1083 11.948,1084 15.375,1085 11.518,1086 23.501,1087 11.274,1088 2.754,1089 9.168,1090 21.304,1091 4.453,1092 12.955,1093 16.728,1094 7.068,1095 25.698,1096 12.204,1097 2.367,1098 8.84,1099 23.108,1100 3.876,1101 14.075,1102 18.238,1103 13.678,1104 27.968,1105 13.276,1106 2.216,1107 6.847,1108 24.917,1109 3.747,1110 15.126,1111 19.651,1112 8.374,1113 30.196,1114 14.258,1115 1.749,1116 6.504,1117 26.729,1118 3.135,1119 16.229,1120 21.139,1121 15.84,1122 32.456,1123 15.311,1124 1.575,1125 4.495,1126 28.545,1127 2.841,1128 17.303,1129 22.584,1130 9.674,1131 34.699,1132 16.322,1133 9828,1134 17570,1135 20.978,1136 32.796,1137 46.476,1138 49.162,1139 47.258,1140 45.965,1141 45.936,1142 63.368,1143 11.732,1144 130.663,1145 42.599,1146 5.296,1147 6.574,1148 6.038,1149 5.152,1150 5.066,1151 7.453,1152 5.9,1153 16.32,1154 4.904,1155 12.523,1156 1.499,1157 1.586,1158 1.524,1159 1.483,1160 1.482,1161 2.044,1162 0.378,1163 4.215,1164 1.374,1165 4.082,1166 4.099,1167 4.325,1168 4.064,1169 7.43,1170 4.027,1171 3.902,1172 3.919,1173 4.067,1174 3.864,1175 5.034,1176 3.838,1177 3.764,1178 3.805,1179 3.765,1180 3.649,1181 4.902,1182 3.648,1183 3.563,1184 3.609,1185 3.516,1186 3.356,1187 4.831,1188 3.369,1189 3.249,1190 3.315,1191 3.382,1192 3.169,1193 4.384,1194 3.12,1195 3.231,1196 3.27,1197 3.218,1198 2.997,1199 4.296,1200 2.982,1201 2.949,1202 2.976,1203 3.062,1204 2.953,1205 3.917,1206 2.881,1207 2.881,1208 2.934,1209 2.868,1210 2.786,1211 3.829,1212 2.768,1213 0.146,1214 0.148,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 4.574,1221 0.095,1222 6.344,1223 0.316,1224 4.005,1225 0.094,1226 3.066,1227 4.453,1228 2.95,1229 9.805,1230 2.904,1231 1.955,1232 1.937,1233 2.007,1234 2.029,1235 1.16,1236 2.032,1237 1.869,1238 1.854,1239 1.961,1240 1.949,1241 1.066,1242 1.961,1243 1.641,1244 1.604,1245 1.733,1246 1.802,1247 0.75,1248 1.783,1249 1.525,1250 1.482,1251 1.715,1252 1.762,1253 0.736,1254 1.758,1255 1.197,1256 1.168,1257 1.573,1258 1.512,1259 0.574,1260 1.533,1261 1.195,1262 1.125,1263 1.25,1264 1.351,1265 0.432,1266 1.381,1267 0.957,1268 0.947,1269 1.127,1270 1.034,1271 0.242,1272 1.086,1273 0.883,1274 0.846,1275 1.074,1276 1.01,1277 0.146,1278 1.045,1279 4.143,1281 5.46,1282 2.398,1283 6.965,1284 4.727,1285 8.557,1286 6.823,1287 10.194,1289 3.121,1296 2.728,1297 5.398,1298 1.458,1305 31.05,1306 77.776,1307 167.421,1308 204.705,1309 228.705,1310 230.705,1311 230.705,1312 38.006,1313 7.799,1314 77,1315 130.54,1316 23,1317 12.524,1318 4.585,1319 3.7,1320 42.549,1321 116,1322 114,1323 0.178,1324 198.274,1325 331.08,1326 475.548,1327 27810,1329 19.51,1330 0.697,1331 0.6,1332 20.217,1333 16.804,1334 13.619,1335 0.439,1336 0.325,1337 8.471,1338 12.245,1339 8.069,1340 6.724,1341 14.435,1342 10.08,1343 12.302,1344 0.286,1345 0.184,1346 13.639,1347 7.9,1348 9.974,1349 0.178,1350 0.103,1351 11.481,1352 5.741,1353 8.737,1354 0.116,1355 0.059,1356 10.549,1357 4.444,1358 6.941,1359 0.075,1360 0.032,1361 8.515,1362 2.965,1363 0.282,1364 93.248,1365 0.218,1366 26.909,1367 0.48,1368 148,1369 464.46,1370 214.557,1371 491.69,1372 677.24,1373 462,1374 173,1375 470.02,1376 229.239,1377 509.433,1378 745.69,1379 478,1380 6.842}
{0 CHEMBL1773598,1 1.768,2 12.214,3 4.367,4 19.072,5 112.244,6 9.285,7 0.71,8 3.908,9 3.995,10 3.746,11 3.581,12 5.103,13 3.53,14 4.374,15 4.499,16 4.17,17 3.93,18 5.581,19 3.865,20 4.496,21 4.635,22 4.107,23 4.013,24 5.646,25 3.91,26 4.478,27 4.634,28 4.107,29 3.971,30 5.613,31 3.854,32 4.466,33 4.645,34 3.965,35 3.912,36 5.549,37 3.799,38 4.414,39 4.581,40 3.895,41 3.876,42 5.539,43 3.754,44 4.326,45 4.493,46 3.871,47 3.766,48 5.47,49 3.66,50 4.294,51 4.497,52 3.631,53 3.635,54 5.357,55 3.538,56 0.053,57 0.637,58 6.256,59 3.861,60 5.923,61 4.06,62 0.281,63 1.067,64 15.051,65 6.518,66 21.315,67 6.839,68 0.3,69 1.175,70 20.337,71 8.392,72 33.99,73 7.716,74 0.264,75 1.164,76 20.739,77 8.574,78 24.461,79 8.667,80 0.263,81 1.185,82 23.637,83 8.523,84 23.323,85 8.516,86 0.281,87 1.095,88 21.339,89 8.298,90 22.724,91 8.716,92 0.215,93 0.974,94 18.862,95 7.233,96 25.009,97 7.387,98 0.255,99 0.937,100 14.663,101 6.025,102 26.607,103 6.911,104 15,105 43,106 0.3,107 0.647,108 0.799,109 0.891,110 0.891,111 0.891,112 3.374,113 0.975,114 -4.32,115 -4.25,116 -4.01,119 45.5,120 1,124 1,142 8,143 1,144 2,145 1,146 2,150 1,152 1,158 1,162 1,172 5,174 1,175 10,178 2,180 2,183 9,187 5,195 7,198 1,199 11,204 2,207 6,212 5,217 2,220 3,223 3,224 6,232 7,237 3,240 1,242 1,245 9,249 1,250 3,258 6,262 1,263 4,266 1,268 1,271 6,275 1282,276 19.074,277 19.074,278 19.074,279 19.074,280 19.074,281 16.373,282 14.646,283 11.311,284 19.841,285 15.319,286 15.319,287 15.319,288 15.319,289 15.319,290 11.171,291 17.411,292 5.382,293 16.563,294 3.692,295 1.654,296 0.762,297 0.216,298 0.216,299 0.216,300 4.074,304 1,305 1,306 740,307 3.162,310 65.316,311 255.044,314 114.369,318 2.015,319 21.448,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 342,332 4.516,333 4.555,334 6.343,335 4.005,336 3.065,337 4.453,338 2.95,339 9.802,340 2.904,341 4.207,342 3.536,343 6.076,344 3.74,345 2.83,346 3.837,347 1.907,348 8.924,349 2.582,350 4.06,351 3.173,352 5.664,353 3.623,354 2.683,355 3.657,356 0.86,357 7.922,358 2.507,359 3.733,360 3.033,361 5.311,362 3.317,363 2.384,364 3.146,365 0.149,366 6.863,367 2.255,368 3.589,369 2.747,370 5.24,371 3.184,372 2.255,373 2.853,375 6.548,376 2.029,377 3.307,378 2.647,379 4.84,380 2.86,381 1.936,382 2.57,384 5.484,385 1.769,386 3.17,387 2.116,388 4.459,389 2.667,390 1.729,391 2.384,393 4.42,394 1.581,395 3.018,396 1.616,397 4.379,398 2.452,399 1.523,400 2.263,402 4.382,403 1.397,404 2.852,405 1.518,406 4.218,407 2.353,408 1.396,409 2.002,411 3.745,412 1.322,413 2.668,414 1.435,415 3.503,416 2.18,417 1.2,418 1.746,420 2.638,421 1.17,422 2.589,423 1.118,424 3.476,425 2.033,426 1.098,427 1.632,428 2.525,429 1.023,430 1.903,431 0.938,432 3.163,433 1.314,434 0.431,435 0.611,436 1.083,437 0.368,438 1.584,439 0.679,440 2.909,441 1.294,442 0.411,443 0.482,445 0.627,446 0.364,447 1.292,448 0.589,449 2.675,450 0.857,456 1.106,457 0.411,458 2.642,459 0.692,460 -0.23,461 -0.277,463 -0.632,464 -0.208,465 13.933,466 0.498,467 0.656,468 0.023,469 41.25,470 1.473,471 23,472 0.821,473 18.25,474 0.652,475 20.415,476 0.729,477 28.067,478 0.638,479 28.459,480 1.016,481 8.014,482 0.286,483 5.588,484 0.2,485 0.096,487 0.323,493 0.787,494 1.103,495 0.683,496 0.824,497 0.64,498 0.792,499 0.855,500 1.011,501 0.756,502 0.876,503 0.627,504 0.766,505 1.357,506 1.016,507 1.241,508 1.009,509 1.367,510 0.946,511 0.755,512 1.15,513 1.1,514 1.162,515 0.619,516 1.052,517 0.96,518 1.083,519 1.275,520 1.13,521 0.775,522 0.974,523 0.65,524 1.051,525 1.264,526 1.201,527 0.593,528 1.093,529 0.947,530 1.042,531 0.854,532 0.966,533 1.146,534 1.029,535 1.008,536 0.864,537 0.761,538 0.773,539 0.916,540 0.959,541 6.5,542 0.152,543 2,544 1.979,545 1.138,546 0.9,547 0.555,548 0.319,549 0.249,550 0.164,551 10496,552 32983,553 2.115,554 36.4,556 11,558 1,559 1,560 3,564 1.708,565 2,566 3.592,567 -0.288,569 1,573 77.776,574 1.768,575 3.805,576 4.698,577 5.243,578 5.243,579 5.243,580 3.101,581 4.307,582 4.775,583 3.742,584 1414.39,585 8.292,586 19012.7,588 1,590 1,591 240.215,592 1.333,593 4.748,594 0.21,595 0.007,596 0.047,597 0.048,598 0.03,599 0.025,600 0.016,601 0.01,602 0.01,603 0.007,604 0.41,605 0.17,606 1,607 0.961,608 142.152,609 -0.059,610 -0.101,611 0.056,612 0.025,613 -0.088,614 0.019,615 0.122,616 0.016,617 0.183,618 0.083,619 0.096,620 0.114,621 -0.299,622 0.026,623 -0.174,624 0.036,625 -0.254,626 -0.034,627 0.048,628 -0.123,629 -0.008,630 -0.101,631 0.061,632 -0.089,633 -0.148,634 -0.017,635 -0.148,636 -0.06,637 -0.071,638 0.002,639 0.114,640 -0.028,641 -0.177,642 -0.145,643 0.103,644 -0.113,645 -0.042,646 -0.073,647 0.052,648 -0.031,649 -0.086,650 -0.078,651 -0.097,652 0.108,653 0.015,654 0.056,655 -0.126,656 -0.003,657 1.797,658 4.235,659 0.75,660 29.342,661 1.012,662 1.108,663 3.087,664 9.53,665 0.745,666 3.466,667 3.784,668 4.025,669 4.317,670 4.533,671 4.625,672 4.796,673 4.913,674 4.997,675 5.106,676 7.093,677 0.706,678 408.54,679 3.466,680 5.004,681 5.844,682 6.72,683 7.577,684 8.459,685 9.324,686 10.208,687 11.079,688 11.964,689 9.1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 44,733 23,734 2,735 31,737 47,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 1,771 1,775 1,778 1,781 16,782 6,783 1,784 8,785 2,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,826 1,840 3,841 1,842 2,844 2,848 28,855 1,856 1,857 1,863 1,870 4.5,873 1,875 1,877 14,878 8.767,879 6.139,880 2.428,881 4.322,882 1.554,883 1.01,884 5.556,885 12.121,886 3.784,887 4.422,888 5.01,889 5.657,890 6.212,891 6.552,892 7.055,893 7.515,894 7.847,895 8.272,896 1,897 41,898 10.27,900 4.304,901 7.738,902 19.504,904 15.674,905 2.238,906 62.667,909 1,910 176.567,911 189.588,912 68.367,914 36.145,916 63.497,917 126.091,918 212.711,919 68.367,920 19.708,921 18.011,922 75.81,923 91.977,924 35.429,925 1.439,926 228.293,928 176.567,929 194.458,930 36.145,931 63.497,933 176.567,934 36.145,937 41.978,938 102.123,939 50.357,940 63.497,941 176.567,942 104.512,943 189.588,946 176.567,947 85.022,948 104.566,949 18.011,950 86.501,951 176.567,952 104.512,953 189.588,955 0.576,956 0.323,957 0.18,958 0.099,959 21,960 9,961 0.106,962 5,963 1,964 1.095,965 4.061,966 240.135,967 0.095,968 21,969 134.606,970 2,974 18.851,975 8.253,976 4.511,977 1.833,978 104.512,979 17.364,980 13.465,983 1.44,984 4.865,986 18.011,987 470.666,988 43,993 11.235,997 -0.13,999 44.516,1000 48.743,1001 0.324,1002 0.697,1003 0.861,1004 0.96,1005 0.96,1006 0.96,1007 5.001,1008 1.523,1009 5.82,1010 4.42,1011 4.466,1012 5.109,1013 3.255,1014 6.597,1015 4.32,1016 6.219,1017 1.396,1018 7.351,1019 4.382,1020 4.007,1021 4.902,1022 1.593,1023 7.368,1024 3.791,1025 7.525,1026 1.2,1027 8.972,1028 3.745,1029 6.028,1030 7.344,1031 5.141,1032 10.442,1033 5.746,1034 8.863,1035 1.098,1036 10.645,1037 2.638,1038 6.347,1039 7.938,1040 3.032,1041 12.015,1042 5.985,1043 10.229,1044 0.431,1045 12.352,1046 2.525,1047 7.843,1048 9.856,1049 7.227,1050 14.582,1051 7.435,1052 11.616,1053 0.411,1054 14.082,1055 1.083,1056 8.542,1057 10.863,1058 4.409,1059 16.52,1060 8.053,1061 13.019,1063 15.83,1064 0.627,1065 9.806,1066 12.542,1067 9.364,1068 18.893,1069 9.278,1070 3.065,1071 -0.23,1072 17.591,1074 10.7,1075 13.772,1076 5.75,1077 21.001,1078 10.094,1079 2.83,1080 9.802,1081 19.363,1082 -0.632,1083 11.861,1084 15.337,1085 11.518,1086 23.298,1087 11.215,1088 2.683,1089 8.924,1090 21.144,1091 4.453,1092 12.853,1093 16.687,1094 7.068,1095 25.487,1096 12.136,1097 2.384,1098 7.922,1099 22.933,1100 3.837,1101 13.97,1102 18.2,1103 13.678,1104 27.757,1105 13.21,1106 2.255,1107 6.863,1108 24.727,1109 3.657,1110 15.013,1111 19.612,1112 8.374,1113 29.984,1114 14.188,1115 1.936,1116 6.548,1117 26.528,1118 3.146,1119 16.113,1120 21.104,1121 15.84,1122 32.247,1123 15.243,1124 1.729,1125 5.484,1126 28.332,1127 2.853,1128 17.182,1129 22.551,1130 9.674,1131 34.493,1132 16.253,1133 9999,1134 17893,1135 20.978,1136 32.796,1137 46.329,1138 49.089,1139 47.031,1140 45.89,1141 45.881,1142 63.277,1143 11.732,1144 129.924,1145 42.545,1146 5.286,1147 6.555,1148 5.936,1149 5.149,1150 5.065,1151 7.453,1152 5.9,1153 16.31,1154 4.904,1155 12.623,1156 1.494,1157 1.584,1158 1.517,1159 1.48,1160 1.48,1161 2.041,1162 0.378,1163 4.191,1164 1.372,1165 4.082,1166 4.099,1167 4.325,1168 4.064,1169 7.43,1170 4.027,1171 3.902,1172 3.919,1173 4.063,1174 3.864,1175 5.033,1176 3.837,1177 3.765,1178 3.806,1179 3.767,1180 3.65,1181 4.901,1182 3.648,1183 3.563,1184 3.609,1185 3.522,1186 3.357,1187 4.84,1188 3.369,1189 3.258,1190 3.315,1191 3.392,1192 3.171,1193 4.366,1194 3.122,1195 3.223,1196 3.268,1197 3.245,1198 3.026,1199 4.294,1200 2.997,1201 2.943,1202 2.974,1203 3.011,1204 2.917,1205 3.917,1206 2.86,1207 2.881,1208 2.934,1209 2.867,1210 2.786,1211 3.826,1212 2.767,1213 0.146,1214 0.147,1215 0.205,1216 0.129,1217 0.099,1218 4.516,1219 0.144,1220 4.555,1221 0.095,1222 6.343,1223 0.316,1224 4.005,1225 0.094,1226 3.065,1227 4.453,1228 2.95,1229 9.802,1230 2.904,1231 1.955,1232 1.937,1233 2.007,1234 2.029,1235 1.16,1236 2.032,1237 1.869,1238 1.854,1239 1.958,1240 1.949,1241 1.065,1242 1.96,1243 1.641,1244 1.604,1245 1.733,1246 1.802,1247 0.75,1248 1.784,1249 1.525,1250 1.482,1251 1.715,1252 1.763,1253 0.736,1254 1.758,1255 1.199,1256 1.168,1257 1.568,1258 1.505,1259 0.574,1260 1.528,1261 1.194,1262 1.13,1263 1.25,1264 1.35,1265 0.432,1266 1.381,1267 0.954,1268 0.938,1269 1.112,1270 1.032,1271 0.241,1272 1.085,1273 0.883,1274 0.846,1275 1.074,1276 1.009,1277 0.14,1278 1.045,1279 4.143,1281 5.46,1282 2.398,1283 6.959,1284 4.727,1285 8.543,1286 6.823,1287 10.171,1289 3.119,1296 2.728,1297 5.267,1298 1.481,1305 31.05,1306 77.776,1307 167.421,1308 206.705,1309 230.705,1310 230.705,1311 230.705,1312 37.46,1313 7.799,1314 77,1315 130.54,1316 23,1317 12.499,1318 4.585,1319 3.7,1320 42.587,1321 118,1322 116,1323 0.175,1324 198.274,1325 331.08,1326 475.548,1327 27810,1329 19.51,1330 0.697,1331 0.6,1332 20.217,1333 16.804,1334 13.602,1335 0.439,1336 0.325,1337 8.465,1338 12.206,1339 8.06,1340 6.715,1341 14.418,1342 10.074,1343 12.396,1344 0.288,1345 0.185,1346 13.76,1347 7.96,1348 9.883,1349 0.18,1350 0.103,1351 11.322,1352 5.653,1353 8.635,1354 0.117,1355 0.059,1356 10.397,1357 4.35,1358 6.885,1359 0.075,1360 0.032,1361 8.44,1362 2.954,1363 0.278,1364 93.147,1365 0.218,1366 27.01,1367 0.467,1368 148,1369 464.46,1370 214.557,1371 491.835,1372 676.62,1373 462,1374 172,1375 469.02,1376 225.682,1377 508.593,1378 742.09,1379 477,1380 7.319}
{0 CHEMBL1773599,1 1.833,2 13.548,3 2.887,4 8.337,5 119.777,6 9.277,7 0.647,8 4.02,9 4.099,10 3.931,11 3.658,12 5.197,13 3.617,14 4.515,15 4.63,16 4.265,17 4.019,18 5.914,19 3.972,20 4.682,21 4.81,22 4.26,23 4.128,24 5.958,25 4.05,26 4.744,27 4.901,28 4.245,29 4.103,30 6.035,31 4.014,32 4.717,33 4.899,34 4.112,35 4.014,36 5.979,37 3.931,38 4.573,39 4.739,40 4.08,41 3.957,42 5.844,43 3.869,44 4.545,45 4.704,46 3.996,47 3.884,48 5.834,49 3.807,50 4.538,51 4.723,52 3.876,53 3.788,54 5.792,55 3.697,56 0.143,57 0.748,58 9.159,59 4.726,60 16.654,61 4.509,62 0.508,63 1.184,64 16.99,65 7.684,66 57.996,67 7.831,68 0.488,69 1.375,70 22.793,71 9.876,72 54.2,73 9.034,74 0.536,75 1.438,76 28.488,77 11.007,78 56.811,79 10.8,80 0.648,81 1.374,82 28.3,83 10.229,84 86.134,85 10.277,86 0.51,87 1.205,88 22.069,89 9.066,90 43.003,91 10.023,92 0.425,93 1.182,94 23.304,95 8.828,96 47.912,97 8.709,98 0.584,99 1.117,100 25.925,101 8.87,102 80.444,103 8.339,104 31,105 49,106 0.303,107 0.65,108 0.789,109 0.863,110 0.863,111 0.863,112 3.472,113 1.01,114 -2.89,115 -2.9,116 -2.8,119 42.9,120 1,124 1,142 8,143 2,144 3,145 2,146 1,152 1,158 1,162 1,172 7,174 1,175 6,178 4,180 3,183 8,187 10,190 1,192 3,195 8,198 1,199 11,204 5,207 4,211 2,212 4,217 4,220 3,223 2,224 8,227 1,229 2,232 6,236 1,237 8,242 2,245 6,250 4,253 2,258 7,262 1,263 4,267 1,271 7,275 1652,276 20.599,277 20.599,278 20.599,279 20.599,280 20.599,281 17.635,282 17.19,283 11.943,284 21.273,285 16.758,286 16.758,287 16.758,288 16.758,289 16.758,290 12.128,291 18.224,292 5.638,293 17.819,294 3.782,295 1.688,296 0.847,297 0.398,298 0.398,299 0.398,300 4.164,304 1,305 1,306 903,307 4,310 76.548,311 299.757,314 133.573,318 2.114,319 39.975,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 68,331 420,332 4.856,333 4.686,334 7.308,335 4.313,336 3.393,337 4.707,338 1.907,339 12.509,340 3.095,341 4.515,342 3.536,343 6.342,344 4.008,345 3.062,346 4.453,347 0.86,348 9.8,349 2.927,350 4.174,351 3.059,352 6.072,353 3.736,354 2.785,355 3.807,356 0.149,357 8.898,358 2.617,359 3.888,360 2.826,361 5.413,362 3.447,363 2.494,364 3.434,366 7.045,367 2.373,368 3.716,369 2.798,370 5.292,371 3.319,372 2.357,373 3.125,375 6.765,376 2.265,377 3.562,378 2.421,379 5.237,380 3.172,381 2.198,382 2.836,384 6.497,385 2.127,386 3.19,387 2.09,388 4.722,389 2.698,390 1.748,391 2.403,393 4.824,394 1.63,395 3.109,396 1.768,397 4.456,398 2.602,399 1.638,400 2.33,402 4.404,403 1.56,404 3.018,405 1.527,406 4.379,407 2.451,408 1.521,409 2.26,411 4.38,412 1.398,413 2.852,414 1.444,415 4.216,416 2.341,417 1.379,418 1.998,420 3.738,421 1.319,422 2.591,423 1.114,424 3.489,425 2.044,426 1.099,427 1.634,428 2.537,429 1.035,430 2.5,431 1.074,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 1,440 3.217,441 1.358,442 0.497,443 0.611,445 1.083,446 0.423,447 1.654,448 0.589,449 3.16,450 1.317,451 0.411,452 0.555,454 0.76,455 0.366,456 1.2,457 0.411,458 2.786,459 0.831,460 -0.119,461 -0.148,463 -0.333,464 -0.112,465 15.1,466 0.487,467 0.922,468 0.03,469 46,470 1.484,471 26,472 0.839,473 20,474 0.645,475 22.508,476 0.726,477 32.3,478 0.659,479 36.069,480 1.164,481 8.925,482 0.288,483 5.911,484 0.191,485 0.132,486 0.055,487 0.298,493 0.636,494 1.211,495 0.753,496 1.065,497 0.651,498 0.839,499 0.733,500 0.996,501 0.803,502 0.875,503 0.572,504 0.797,505 1.211,506 1.068,507 1.198,508 1.065,509 1.133,510 1.028,511 1.038,512 1.157,513 1.17,514 1.182,515 1.029,516 1.076,517 1.11,518 0.934,519 1.07,520 0.944,521 1.281,522 0.938,523 0.561,524 1.086,525 0.922,526 1.048,527 0.596,528 1.01,529 1.096,530 1.165,531 1.189,532 1.18,533 1.104,534 1.077,535 1.391,536 0.81,537 1.01,538 0.832,539 1.586,540 0.957,541 8.5,542 0.246,543 3.556,544 2.479,545 1.618,546 1.344,547 0.72,548 0.523,549 0.327,550 0.233,551 13601,552 45912,553 2.057,554 36.7,556 11,558 2,559 2,560 3,564 1.734,565 1.908,566 3.705,567 0.289,569 1,573 89.823,574 1.833,575 3.926,576 4.768,577 5.217,578 5.217,579 5.217,580 3.216,581 4.567,582 4.922,583 3.859,584 1794.24,585 8.586,586 25988.8,588 1,591 275.121,592 1.595,593 4.87,594 0.25,595 0.009,596 0.073,597 0.052,598 0.036,599 0.033,600 0.018,601 0.014,602 0.011,603 0.008,604 0.503,605 0.33,606 1,607 0.999,608 162.826,609 0.017,610 -0.117,611 0.154,612 -0.051,613 -0.144,614 0.03,615 0.182,616 0.058,617 0.107,618 0.096,619 0.207,620 0.091,621 -0.239,622 -0.022,623 -0.19,624 -0.035,625 -0.151,626 -0.114,627 -0.095,628 -0.146,629 -0.09,630 -0.121,631 -0.024,632 -0.097,633 -0.112,634 0.07,635 -0.062,636 0.041,637 -0.139,638 0.04,639 0.235,640 -0.103,641 0.049,642 -0.055,643 0.151,644 -0.015,645 -0.139,646 -0.152,647 -0.15,648 -0.154,649 -0.055,650 -0.11,651 -0.241,652 0.152,653 -0.051,654 0.112,655 -0.25,656 0.015,657 4.691,658 5.694,659 0.677,660 34.144,661 1.022,662 1.114,663 1.661,664 2.76,665 0.724,666 3.555,667 3.912,668 4.143,669 4.407,670 4.615,671 4.745,672 4.89,673 4.949,674 5.037,675 5.147,676 7.632,677 0.694,678 454.57,679 3.555,680 5.118,681 5.964,682 6.855,683 7.719,684 8.615,685 9.486,686 10.383,687 11.259,688 12.156,689 8.2,694 1,696 1,699 2,703 2,704 10,705 2,708 1,709 6,711 22,729 1,731 49,733 25,734 2,735 34,737 52,738 21,739 18,740 5,741 7,746 4,747 5,752 1,761 19,762 2,766 3,769 1,771 3,775 1,778 1,781 18,782 8,783 2,784 10,785 2,790 4,794 0.75,795 4,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,848 31,852 1,855 2,856 1,863 1,870 8.2,873 3,875 1,877 16.25,878 9.483,879 6.681,880 2.601,881 4.249,882 1.536,883 1.014,884 6.008,885 12.182,886 3.892,887 4.567,888 5.117,889 5.74,890 6.286,891 6.658,892 7.125,893 7.502,894 7.823,895 8.251,896 1,897 48,898 11.675,900 5.258,901 7.992,902 21.328,904 17.489,905 2.492,906 77.25,909 1,910 188.338,911 174.716,912 67.987,914 80.458,916 37.085,917 137.63,918 268.795,919 67.987,920 19.708,921 18.011,922 81.617,923 147.681,924 47.662,925 0.746,926 196.073,928 188.338,929 205.617,930 80.458,931 37.085,933 188.338,934 80.458,937 47.576,938 108.066,939 55.783,940 31.278,941 188.338,942 148.445,943 174.716,945 5.807,946 188.338,947 55.295,948 113.613,949 34.416,950 114.029,951 188.338,952 148.445,953 174.716,955 0.589,956 0.33,957 0.174,958 0.094,959 24,960 11,961 0.115,962 6,963 1,964 1.095,965 4.222,966 278.099,967 0.095,968 21,969 147.58,970 1,973 1,974 21.378,975 8.713,976 4.905,977 1.66,978 148.445,979 16.588,980 8.545,983 1.364,984 3.156,986 34.416,987 511.498,988 48,991 -3.774,993 36.637,997 -0.18,999 50.054,1000 54.577,1001 0.326,1002 0.699,1003 0.849,1004 0.929,1005 0.929,1006 0.929,1007 5.133,1008 1.638,1009 5.989,1010 4.824,1011 4.595,1012 5.255,1013 2.143,1014 6.832,1015 4.48,1016 6.392,1017 1.521,1018 7.574,1019 4.404,1020 4.369,1021 5.33,1022 1.593,1023 7.972,1024 4.182,1025 7.747,1026 1.379,1027 9.267,1028 4.38,1029 6.267,1030 7.601,1031 2.962,1032 10.994,1033 6.026,1034 9.141,1035 1.099,1036 11.026,1037 3.738,1038 6.825,1039 8.47,1040 3.032,1041 12.976,1042 6.485,1043 10.568,1044 1,1045 12.832,1046 2.537,1047 8.256,1048 10.275,1049 4.052,1050 15.603,1051 7.868,1052 12.02,1053 0.497,1054 14.672,1055 2.275,1056 9.163,1057 11.5,1058 4.409,1059 17.916,1060 8.666,1061 13.492,1062 0.411,1063 16.539,1064 1.083,1065 10.425,1066 13.131,1067 5.254,1068 20.444,1069 9.873,1070 3.393,1071 -0.119,1072 18.427,1073 0.76,1074 11.49,1075 14.52,1076 5.75,1077 22.882,1078 10.83,1079 3.062,1080 12.509,1081 20.332,1082 -0.333,1083 12.697,1084 16.083,1085 6.502,1086 25.392,1087 11.968,1088 2.785,1089 9.8,1090 22.251,1091 4.707,1092 13.833,1093 17.546,1094 7.068,1095 27.878,1096 13.001,1097 2.494,1098 8.898,1099 24.182,1100 4.453,1101 15.025,1102 19.085,1103 7.771,1104 30.389,1105 14.114,1106 2.357,1107 7.045,1108 26.122,1109 3.807,1110 16.194,1111 20.584,1112 8.374,1113 32.896,1114 15.185,1115 2.198,1116 6.765,1117 28.071,1118 3.434,1119 17.387,1120 22.115,1121 9.051,1122 35.412,1123 16.291,1124 1.748,1125 6.497,1126 30.025,1127 3.125,1128 18.573,1129 23.631,1130 9.674,1131 37.928,1132 17.381,1133 13046,1134 24150,1135 22.364,1136 35.466,1137 51.526,1138 52.948,1139 52.731,1140 51.093,1141 51.164,1142 71.307,1143 5.832,1144 151.029,1145 48.274,1146 5.687,1147 6.686,1148 6.858,1149 5.433,1150 5.393,1151 7.707,1152 3.306,1153 19.859,1154 5.095,1155 16.9,1156 1.515,1157 1.557,1158 1.551,1159 1.503,1160 1.505,1161 2.097,1162 0.172,1163 4.442,1164 1.42,1165 4.118,1166 4.123,1167 4.737,1168 4.096,1169 7.717,1170 4.047,1171 4.04,1172 4.029,1173 4.323,1174 4.034,1175 7.43,1176 3.958,1177 3.818,1178 3.852,1179 3.823,1180 3.732,1181 6.999,1182 3.727,1183 3.622,1184 3.628,1185 3.717,1186 3.525,1187 4.996,1188 3.46,1189 3.557,1190 3.571,1191 3.494,1192 3.355,1193 4.855,1194 3.364,1195 3.238,1196 3.284,1197 3.336,1198 3.162,1199 4.839,1200 3.121,1201 3.186,1202 3.249,1203 3.003,1204 2.914,1205 4.329,1206 2.91,1207 2.911,1208 2.958,1209 2.904,1210 2.831,1211 4.288,1212 2.806,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.856,1219 0.138,1220 4.686,1221 0.056,1222 7.308,1223 0.368,1224 4.313,1225 0.091,1226 3.393,1227 4.707,1228 1.907,1229 12.509,1230 3.095,1231 1.991,1232 1.987,1233 2.037,1234 2.069,1235 1.199,1236 2.088,1237 1.936,1238 1.934,1239 1.97,1240 2,1241 1.15,1242 2.019,1243 1.722,1244 1.694,1245 1.803,1246 1.846,1247 0.895,1248 1.843,1249 1.525,1250 1.482,1251 1.727,1252 1.774,1253 0.738,1254 1.763,1255 1.416,1256 1.451,1257 1.568,1258 1.608,1259 0.608,1260 1.631,1261 1.196,1262 1.168,1263 1.267,1264 1.434,1265 0.502,1266 1.468,1267 1.147,1268 1.07,1269 1.181,1270 1.349,1271 0.431,1272 1.38,1273 0.949,1274 0.928,1275 1.168,1276 1.062,1277 0.221,1278 1.107,1279 4.234,1281 5.58,1282 2.398,1283 7.107,1284 4.727,1285 8.716,1286 6.823,1287 10.366,1289 2.949,1296 5.239,1297 5.066,1305 34.007,1306 89.823,1307 192.392,1308 233.611,1309 255.611,1310 255.611,1311 255.611,1312 62.784,1313 7.933,1314 110.28,1315 146.9,1316 23,1317 12.684,1318 4.7,1319 3.907,1320 49.628,1321 142,1322 152,1323 0.17,1324 215.859,1325 365.96,1326 518.455,1327 32928,1329 22.01,1330 0.71,1331 0.589,1332 22.613,1333 18.25,1334 14.836,1335 0.436,1336 0.337,1337 9.198,1338 13.022,1339 8.732,1340 7.271,1341 16.065,1342 11.444,1343 14.172,1344 0.289,1345 0.191,1346 16.141,1347 9.339,1348 11.091,1349 0.179,1350 0.108,1351 12.93,1352 6.696,1353 9.411,1354 0.116,1355 0.061,1356 11.375,1357 4.916,1358 7.24,1359 0.072,1360 0.033,1361 8.834,1362 3.271,1363 0.272,1364 105.698,1365 0.211,1366 29.413,1367 0.453,1368 166,1369 558.619,1370 246.287,1371 578.366,1372 780.04,1373 534,1374 194,1375 526.211,1376 276.564,1377 586.816,1378 850.71,1379 547,1380 8.796}
{0 CHEMBL1773600,1 1.886,2 13.548,3 2.704,4 7.314,5 117.562,6 9.491,7 0.647,8 4.009,9 4.088,10 3.936,11 3.628,12 5.204,13 3.597,14 4.502,15 4.618,16 4.273,17 3.98,18 5.927,19 3.945,20 4.656,21 4.786,22 4.269,23 4.072,24 5.966,25 4.013,26 4.696,27 4.846,28 4.251,29 4.038,30 6.06,31 3.969,32 4.659,33 4.838,34 4.12,35 3.946,36 5.946,37 3.883,38 4.534,39 4.701,40 4.084,41 3.887,42 5.85,43 3.822,44 4.49,45 4.641,46 3.997,47 3.83,48 5.821,49 3.769,50 4.503,51 4.681,52 3.88,53 3.751,54 5.792,55 3.67,56 0.164,57 0.768,58 8.437,59 4.539,60 17.111,61 4.149,62 0.552,63 1.205,64 16.114,65 7.334,66 58.448,67 7.238,68 0.574,69 1.384,70 22.046,71 9.097,72 59.474,73 7.894,74 0.639,75 1.397,76 24.987,77 9.747,78 64.347,79 9.207,80 0.649,81 1.335,82 26.217,83 9.146,84 78.313,85 8.977,86 0.57,87 1.188,88 19.729,89 8.059,90 45.098,91 8.729,92 0.474,93 1.141,94 21.487,95 8.084,96 47.559,97 7.545,98 0.649,99 1.078,100 24.45,101 8.344,102 83.559,103 7.562,104 31,105 49,106 0.313,107 0.67,108 0.799,109 0.86,110 0.86,111 0.86,112 3.472,113 0.998,114 -2.74,115 -2.76,116 -2.67,119 41.7,120 1,124 1,142 7,143 1,144 2,145 2,146 2,147 1,152 1,158 1,162 1,172 5,174 1,175 6,178 5,180 2,183 5,186 1,187 11,190 1,192 2,195 5,198 3,199 10,204 5,207 2,211 2,212 4,217 4,223 3,224 9,227 1,229 1,232 2,236 1,237 8,240 1,242 1,245 4,249 1,250 2,253 2,258 6,262 2,263 3,267 1,271 6,275 1652,276 20.599,277 20.599,278 20.599,279 20.599,280 20.599,281 17.635,282 17.19,283 11.943,284 21.331,285 16.758,286 16.758,287 16.758,288 16.758,289 16.758,290 12.128,291 18.224,292 5.638,293 17.925,294 3.699,295 1.551,296 0.774,297 0.406,298 0.406,299 0.406,300 4.164,304 1,305 1,306 903,307 4,310 76.548,311 299.757,314 133.573,318 2.114,319 42.233,322 1,323 0.67,324 1,325 0.4,327 0.83,328 1,329 0.7,330 68.5,331 420,332 4.856,333 4.686,334 7.308,335 4.311,336 3.393,337 4.707,338 1.907,339 12.509,340 3.088,341 4.515,342 3.536,343 6.342,344 4.002,345 3.062,346 4.453,347 0.86,348 9.8,349 2.9,350 4.174,351 3.059,352 6.072,353 3.719,354 2.785,355 3.807,356 0.149,357 8.898,358 2.582,359 3.888,360 2.826,361 5.413,362 3.446,363 2.494,364 3.434,366 7.045,367 2.37,368 3.716,369 2.798,370 5.292,371 3.314,372 2.357,373 3.125,375 6.765,376 2.258,377 3.562,378 2.421,379 5.237,380 3.16,381 2.198,382 2.836,384 6.497,385 2.095,386 3.19,387 2.09,388 4.722,389 2.696,390 1.748,391 2.403,393 4.824,394 1.626,395 3.109,396 1.768,397 4.456,398 2.601,399 1.638,400 2.33,402 4.404,403 1.559,404 3.018,405 1.527,406 4.379,407 2.451,408 1.521,409 2.26,411 4.38,412 1.397,413 2.852,414 1.444,415 4.216,416 2.335,417 1.379,418 1.998,420 3.738,421 1.311,422 2.591,423 1.114,424 3.489,425 2.019,426 1.099,427 1.634,428 2.537,429 1.008,430 2.5,431 1.074,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 1,440 3.217,441 1.358,442 0.497,443 0.611,445 1.083,446 0.423,447 1.654,448 0.589,449 3.16,450 1.315,451 0.411,452 0.555,454 0.76,455 0.365,456 1.2,457 0.411,458 2.786,459 0.818,460 -0.119,461 -0.148,463 -0.333,464 -0.111,465 15,466 0.484,467 0.922,468 0.03,469 46.5,470 1.5,471 26,472 0.839,473 20.5,474 0.661,475 22.153,476 0.715,477 32.4,478 0.675,479 36.423,480 1.175,481 9.005,482 0.29,483 5.83,484 0.188,485 0.133,486 0.056,487 0.3,493 0.66,494 1.279,495 0.748,496 1.09,497 0.66,498 0.844,499 0.742,500 1.02,501 0.797,502 0.881,503 0.581,504 0.79,505 1.253,506 1.065,507 1.205,508 1.06,509 1.175,510 0.989,511 1.04,512 1.171,513 1.137,514 1.146,515 1.044,516 1.067,517 1.068,518 1.044,519 1.071,520 1.004,521 1.185,522 0.946,523 0.62,524 1.063,525 0.85,526 0.97,527 0.631,528 0.954,529 1.143,530 1.12,531 1.228,532 1.186,533 1.161,534 1.06,535 1.371,536 0.804,537 1.031,538 0.837,539 1.624,540 0.974,541 8.5,542 0.246,543 3.556,544 2.479,545 1.618,546 1.344,547 0.72,548 0.523,549 0.327,550 0.233,551 13601,552 47026,553 2.057,554 35.4,556 10,558 2,559 2,560 3,564 1.734,565 1.908,566 3.705,567 0.321,569 1,573 90.543,574 1.886,575 4.034,576 4.811,577 5.179,578 5.179,579 5.179,580 3.216,581 4.567,582 4.922,583 3.859,584 1794.24,585 8.586,586 25988.8,591 268.078,592 1.595,593 4.87,594 0.25,595 0.009,596 0.073,597 0.052,598 0.036,599 0.033,600 0.018,601 0.014,602 0.011,603 0.008,604 0.503,605 0.33,606 0.88,607 0.999,608 162.826,609 -0.001,610 -0.169,611 0.151,612 -0.07,613 -0.148,614 0.018,615 0.178,616 0.044,617 0.113,618 0.091,619 0.205,620 0.093,621 -0.257,622 0.002,623 -0.186,624 -0.026,625 -0.17,626 -0.086,627 -0.06,628 -0.144,629 -0.088,630 -0.108,631 -0.004,632 -0.115,633 -0.105,634 -0.027,635 -0.052,636 -0.014,637 -0.119,638 0.028,639 0.221,640 -0.065,641 0.087,642 -0.013,643 0.147,644 0.021,645 -0.163,646 -0.095,647 -0.177,648 -0.145,649 -0.076,650 -0.105,651 -0.221,652 0.146,653 -0.068,654 0.114,655 -0.269,656 -0.002,657 4.753,658 5.654,659 0.677,660 34.144,661 1.027,662 1.118,663 1.511,664 2.285,665 0.723,666 3.555,667 3.912,668 4.143,669 4.407,670 4.615,671 4.745,672 4.89,673 4.949,674 5.037,675 5.147,676 7.632,677 0.698,678 455.56,679 3.555,680 5.118,681 5.964,682 6.855,683 7.719,684 8.615,685 9.486,686 10.383,687 11.259,688 12.156,689 10.4,694 1,696 1,699 3,703 2,704 9,705 3,708 1,709 6,711 22,729 1,731 48,733 25,734 2,735 34,737 51,738 20,739 17,740 5,741 7,746 4,747 5,752 1,761 18,762 2,766 3,769 1,771 3,775 1,778 1,781 17,782 9,783 2,784 11,785 2,790 5,794 0.75,795 4,802 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,848 31,852 1,855 2,856 1,863 1,870 8.3,873 3,875 1,877 16.25,878 9.35,879 6.681,880 2.535,881 4.249,882 1.536,883 1.011,884 5.964,885 12.182,886 3.892,887 4.567,888 5.117,889 5.74,890 6.286,891 6.658,892 7.125,893 7.502,894 7.823,895 8.251,896 1,897 48,898 11.68,900 5.276,901 8.024,902 21.198,904 17.288,905 2.524,906 78.25,909 1,910 176.567,911 164.382,912 84.772,914 80.458,916 37.085,917 127.297,918 257.024,919 84.772,920 19.708,921 18.011,922 72.141,923 164.466,924 44.476,925 3.074,926 184.302,928 176.567,929 212.069,930 80.458,931 37.085,933 176.567,934 80.458,937 50.332,938 94.975,939 72.569,940 31.278,941 176.567,942 165.23,943 164.382,945 5.807,946 176.567,947 54.437,948 104.137,949 34.416,950 130.814,951 176.567,952 165.23,953 164.382,955 0.589,956 0.33,957 0.174,958 0.094,959 24,960 11,961 0.118,962 6,963 1,964 1.095,965 4.222,966 278.099,967 0.095,968 21,969 147.58,970 1,973 1,974 21.315,975 8.673,976 4.879,977 1.592,978 165.23,979 14.391,980 12.848,983 1.336,984 2.469,986 34.416,987 506.178,988 48,991 -3.836,993 36.547,997 -0.193,999 49.273,1000 53.66,1001 0.338,1002 0.722,1003 0.861,1004 0.927,1005 0.927,1006 0.927,1007 5.133,1008 1.638,1009 5.989,1010 4.824,1011 4.595,1012 5.255,1013 2.143,1014 6.832,1015 4.467,1016 6.392,1017 1.521,1018 7.574,1019 4.404,1020 4.369,1021 5.33,1022 1.593,1023 7.972,1024 4.164,1025 7.747,1026 1.379,1027 9.267,1028 4.38,1029 6.267,1030 7.601,1031 2.962,1032 10.994,1033 5.998,1034 9.141,1035 1.099,1036 11.026,1037 3.738,1038 6.825,1039 8.47,1040 3.032,1041 12.976,1042 6.454,1043 10.568,1044 1,1045 12.832,1046 2.537,1047 8.256,1048 10.275,1049 4.052,1050 15.603,1051 7.829,1052 12.02,1053 0.497,1054 14.672,1055 2.275,1056 9.163,1057 11.5,1058 4.409,1059 17.916,1060 8.624,1061 13.492,1062 0.411,1063 16.539,1064 1.083,1065 10.425,1066 13.131,1067 5.254,1068 20.444,1069 9.824,1070 3.393,1071 -0.119,1072 18.427,1073 0.76,1074 11.49,1075 14.52,1076 5.75,1077 22.882,1078 10.778,1079 3.062,1080 12.509,1081 20.332,1082 -0.333,1083 12.697,1084 16.083,1085 6.502,1086 25.392,1087 11.91,1088 2.785,1089 9.8,1090 22.251,1091 4.707,1092 13.833,1093 17.546,1094 7.068,1095 27.878,1096 12.94,1097 2.494,1098 8.898,1099 24.182,1100 4.453,1101 15.025,1102 19.085,1103 7.771,1104 30.389,1105 14.049,1106 2.357,1107 7.045,1108 26.122,1109 3.807,1110 16.194,1111 20.584,1112 8.374,1113 32.896,1114 15.117,1115 2.198,1116 6.765,1117 28.071,1118 3.434,1119 17.387,1120 22.115,1121 9.051,1122 35.412,1123 16.22,1124 1.748,1125 6.497,1126 30.025,1127 3.125,1128 18.573,1129 23.631,1130 9.674,1131 37.928,1132 17.307,1133 13046,1134 24452,1135 22.364,1136 34.71,1137 51.526,1138 52.948,1139 52.731,1140 51.097,1141 51.164,1142 71.307,1143 5.832,1144 151.029,1145 47.963,1146 5.687,1147 6.686,1148 6.858,1149 5.434,1150 5.393,1151 7.707,1152 3.306,1153 19.859,1154 5.088,1155 16.9,1156 1.515,1157 1.557,1158 1.551,1159 1.503,1160 1.505,1161 2.097,1162 0.172,1163 4.442,1164 1.411,1165 4.111,1166 4.118,1167 4.736,1168 4.084,1169 7.717,1170 4.034,1171 4.04,1172 4.029,1173 4.322,1174 4.034,1175 7.43,1176 3.958,1177 3.795,1178 3.838,1179 3.804,1180 3.659,1181 6.999,1182 3.666,1183 3.62,1184 3.628,1185 3.716,1186 3.516,1187 5.037,1188 3.457,1189 3.554,1190 3.568,1191 3.491,1192 3.347,1193 4.897,1194 3.358,1195 3.237,1196 3.284,1197 3.335,1198 3.159,1199 4.847,1200 3.119,1201 3.186,1202 3.249,1203 3.003,1204 2.914,1205 4.329,1206 2.91,1207 2.91,1208 2.958,1209 2.903,1210 2.831,1211 4.29,1212 2.806,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.856,1219 0.138,1220 4.686,1221 0.056,1222 7.308,1223 0.368,1224 4.311,1225 0.091,1226 3.393,1227 4.707,1228 1.907,1229 12.509,1230 3.088,1231 1.969,1232 1.971,1233 2.005,1234 2.062,1235 1.166,1236 2.078,1237 1.932,1238 1.923,1239 1.97,1240 1.999,1241 1.146,1242 2.013,1243 1.671,1244 1.636,1245 1.74,1246 1.838,1247 0.76,1248 1.825,1249 1.525,1250 1.482,1251 1.723,1252 1.773,1253 0.738,1254 1.762,1255 1.409,1256 1.438,1257 1.568,1258 1.606,1259 0.597,1260 1.626,1261 1.196,1262 1.168,1263 1.267,1264 1.434,1265 0.493,1266 1.467,1267 1.146,1268 1.07,1269 1.181,1270 1.349,1271 0.431,1272 1.38,1273 0.949,1274 0.928,1275 1.168,1276 1.062,1277 0.219,1278 1.107,1279 4.234,1281 5.58,1282 2.398,1283 7.107,1284 4.727,1285 8.716,1286 6.823,1287 10.366,1289 2.929,1296 5.113,1297 5.054,1305 33.501,1306 90.543,1307 193.633,1308 230.917,1309 248.568,1310 248.568,1311 248.568,1312 62.655,1313 7.933,1314 123.17,1315 159.79,1316 23,1317 12.684,1318 4.7,1319 3.907,1320 49.628,1321 142,1322 152,1323 0.17,1324 213.061,1325 359.66,1326 511.628,1327 32928,1329 22.01,1330 0.71,1331 0.585,1332 22.613,1333 18.12,1334 14.836,1335 0.436,1336 0.333,1337 9.053,1338 12.965,1339 8.606,1340 7.16,1341 16.065,1342 11.314,1343 14.172,1344 0.289,1345 0.187,1346 16.141,1347 9.166,1348 11.091,1349 0.179,1350 0.105,1351 12.93,1352 6.515,1353 9.411,1354 0.116,1355 0.058,1356 11.375,1357 4.731,1358 7.24,1359 0.072,1360 0.031,1361 8.834,1362 3.111,1363 0.272,1364 106.106,1365 0.211,1366 29.413,1367 0.453,1368 166,1369 578.264,1370 248.397,1371 595.394,1372 803.32,1373 550,1374 194,1375 545.028,1376 279.062,1377 603.56,1378 876.59,1379 563,1380 8.046}
{0 CHEMBL1773601,1 1.772,2 13.548,3 4.038,4 16.305,5 121.934,6 9.072,7 0.647,8 4.031,9 4.109,10 3.926,11 3.687,12 5.185,13 3.637,14 4.529,15 4.641,16 4.263,17 4.051,18 5.91,19 3.993,20 4.711,21 4.845,22 4.255,23 4.16,24 5.956,25 4.073,26 4.763,27 4.919,28 4.237,29 4.146,30 6.034,31 4.043,32 4.748,33 4.93,34 4.103,35 4.074,36 5.942,37 3.973,38 4.636,39 4.806,40 4.072,41 4.025,42 5.88,43 3.918,44 4.584,45 4.742,46 3.992,47 3.954,48 5.828,49 3.855,50 4.591,51 4.781,52 3.875,53 3.844,54 5.805,55 3.738,56 0.125,57 0.726,58 9.87,59 4.911,60 16.613,61 4.872,62 0.463,63 1.163,64 17.745,65 8.086,66 55.723,67 8.545,68 0.43,69 1.379,70 24.676,71 10.411,72 54.33,73 9.95,74 0.468,75 1.435,76 29.081,77 11.613,78 54.794,79 11.653,80 0.515,81 1.393,82 30.676,83 11.339,84 73.2,85 11.629,86 0.514,87 1.229,88 24.146,89 10.14,90 52.831,91 11.307,92 0.351,93 1.195,94 25.546,95 9.834,96 45.714,97 10.014,98 0.525,99 1.165,100 27.554,101 9.617,102 77.891,103 9.484,104 31,105 49,106 0.292,107 0.609,108 0.741,109 0.859,110 0.866,111 0.866,112 3.472,113 1.023,114 -4.25,115 -4.19,116 -3.96,119 44,120 1,124 1,142 11,143 2,144 3,146 1,152 1,158 1,162 1,172 10,174 1,175 5,178 4,180 4,183 13,187 8,192 4,195 13,198 1,199 11,204 6,207 8,212 5,217 4,220 9,223 2,224 8,227 1,229 2,232 12,237 7,242 3,245 11,250 6,253 1,255 1,258 9,263 6,267 1,268 1,271 8,275 1652,276 20.599,277 20.599,278 20.599,279 20.599,280 20.599,281 17.635,282 17.19,283 11.943,284 21.216,285 16.758,286 16.758,287 16.758,288 16.758,289 16.758,290 12.128,291 18.224,292 5.638,293 17.734,294 3.871,295 1.952,296 1.151,297 0.43,298 0.39,299 0.39,300 4.164,304 1,305 1,306 903,307 4,310 76.548,311 299.757,314 133.573,318 2.114,319 37.954,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 67.5,331 420,332 4.856,333 4.686,334 7.308,335 4.313,336 3.393,337 4.707,338 1.907,339 12.509,340 3.097,341 4.515,342 3.536,343 6.342,344 4.009,345 3.062,346 4.453,347 0.86,348 9.8,349 2.933,350 4.174,351 3.059,352 6.072,353 3.74,354 2.785,355 3.807,356 0.149,357 8.898,358 2.626,359 3.888,360 2.826,361 5.413,362 3.447,363 2.494,364 3.434,366 7.045,367 2.373,368 3.716,369 2.798,370 5.292,371 3.321,372 2.357,373 3.125,375 6.765,376 2.269,377 3.562,378 2.421,379 5.237,380 3.176,381 2.198,382 2.836,384 6.497,385 2.139,386 3.19,387 2.09,388 4.722,389 2.7,390 1.748,391 2.403,393 4.824,394 1.636,395 3.109,396 1.768,397 4.456,398 2.605,399 1.638,400 2.33,402 4.404,403 1.563,404 3.018,405 1.527,406 4.379,407 2.452,408 1.521,409 2.26,411 4.38,412 1.401,413 2.852,414 1.444,415 4.216,416 2.361,417 1.379,418 1.998,420 3.738,421 1.345,422 2.591,423 1.114,424 3.489,425 2.096,426 1.099,427 1.634,428 2.537,429 1.094,430 2.5,431 1.074,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.903,439 1,440 3.217,441 1.359,442 0.497,443 0.611,445 1.083,446 0.424,447 1.654,448 0.589,449 3.16,450 1.318,451 0.411,452 0.555,454 0.76,455 0.366,456 1.2,457 0.411,458 2.786,459 0.846,460 -0.119,461 -0.148,463 -0.333,464 -0.114,465 15.2,466 0.49,467 0.922,468 0.03,469 45.5,470 1.468,471 26,472 0.839,473 19.5,474 0.629,475 22.842,476 0.737,477 32.2,478 0.644,479 35.734,480 1.153,481 8.845,482 0.285,483 5.991,484 0.193,485 0.132,486 0.055,487 0.296,493 0.613,494 1.143,495 0.759,496 1.042,497 0.649,498 0.835,499 0.683,500 1.004,501 0.8,502 0.899,503 0.551,504 0.832,505 1.21,506 1.066,507 1.174,508 1.038,509 1.112,510 1.004,511 1.022,512 1.123,513 1.171,514 1.159,515 1.009,516 1.081,517 1.115,518 0.946,519 1.114,520 1.008,521 1.274,522 0.965,523 0.625,524 0.965,525 0.933,526 0.982,527 0.73,528 0.996,529 1.033,530 1.189,531 1.244,532 1.242,533 1.056,534 1.121,535 1.347,536 0.869,537 0.988,538 0.852,539 1.517,540 0.979,541 8.5,542 0.246,543 3.556,544 2.479,545 1.618,546 1.344,547 0.72,548 0.523,549 0.327,550 0.233,551 13601,552 44606,553 2.057,554 38,556 14,559 2,560 3,564 1.734,565 1.908,566 3.705,567 0.257,569 1,573 88.62,574 1.772,575 3.692,576 4.493,577 5.214,578 5.254,579 5.254,580 3.216,581 4.567,582 4.922,583 3.859,584 1794.24,585 8.586,586 25988.8,588 1,591 282.193,592 1.595,593 4.87,594 0.25,595 0.009,596 0.073,597 0.052,598 0.036,599 0.033,600 0.018,601 0.014,602 0.011,603 0.008,604 0.503,605 0.17,606 1,607 0.999,608 162.826,609 0.034,610 -0.068,611 0.158,612 -0.033,613 -0.147,614 0.04,615 0.227,616 0.035,617 0.11,618 0.068,619 0.222,620 0.062,621 -0.234,622 -0.024,623 -0.163,624 -0.017,625 -0.136,626 -0.082,627 -0.084,628 -0.11,629 -0.101,630 -0.106,631 -0.012,632 -0.107,633 -0.154,634 0.047,635 -0.078,636 0.007,637 -0.159,638 0.031,639 0.206,640 -0.005,641 0.028,642 0.005,643 0.11,644 0.003,645 -0.12,646 -0.195,647 -0.174,648 -0.186,649 -0.042,650 -0.134,651 -0.222,652 0.096,653 -0.042,654 0.086,655 -0.223,656 -0.003,657 4.651,658 5.722,659 0.677,660 34.144,661 1.017,662 1.11,663 3.021,664 9.124,665 0.724,666 3.555,667 3.912,668 4.143,669 4.407,670 4.615,671 4.745,672 4.89,673 4.949,674 5.037,675 5.147,676 7.632,677 0.69,678 453.58,679 3.555,680 5.118,681 5.964,682 6.855,683 7.719,684 8.615,685 9.486,686 10.383,687 11.259,688 12.156,689 6,694 1,696 1,699 1,703 2,704 11,705 1,708 1,709 6,711 22,729 1,731 50,733 25,734 3,735 34,737 53,738 22,739 19,740 7,741 11,746 4,747 5,752 1,761 20,762 2,766 3,769 1,771 3,775 1,778 1,781 19,782 7,783 2,784 9,785 2,790 3,794 0.75,795 4,811 1,812 3,815 1,826 1,840 3,842 2,844 2,848 31,852 1,855 2,856 1,863 1,870 8,873 3,875 1,877 16.25,878 9.617,879 6.681,880 2.69,881 4.249,882 1.536,883 1.016,884 6.053,885 12.182,886 3.892,887 4.567,888 5.117,889 5.74,890 6.286,891 6.658,892 7.125,893 7.502,894 7.823,895 8.251,896 1,897 48,898 11.679,900 5.251,901 7.96,902 21.457,904 17.673,905 2.46,906 76.25,909 1,910 200.109,911 185.049,912 51.201,914 80.458,916 37.085,917 147.964,918 280.567,919 51.201,920 19.708,921 18.011,922 110.046,923 107.353,924 29.567,925 0.746,926 231.386,928 200.109,929 199.166,930 80.458,931 37.085,933 200.109,934 80.458,937 29.481,938 136.494,939 38.998,940 31.278,941 200.109,942 131.659,943 185.049,945 5.807,946 200.109,947 55.295,948 123.947,949 34.416,950 97.243,951 200.109,952 131.659,953 185.049,955 0.589,956 0.33,957 0.174,958 0.094,959 24,960 11,961 0.113,962 6,963 1,964 1.095,965 4.222,966 278.099,967 0.095,968 21,969 147.58,970 1,973 1,974 21.44,975 8.752,976 4.932,977 1.708,978 131.659,979 19.123,980 4.386,983 1.384,984 3.496,986 34.416,987 516.817,988 48,991 -3.734,993 36.701,997 -0.17,999 50.836,1000 55.494,1001 0.314,1002 0.654,1003 0.796,1004 0.924,1005 0.931,1006 0.931,1007 5.133,1008 1.638,1009 5.989,1010 4.824,1011 4.595,1012 5.255,1013 2.143,1014 6.832,1015 4.489,1016 6.392,1017 1.521,1018 7.574,1019 4.404,1020 4.369,1021 5.33,1022 1.593,1023 7.972,1024 4.182,1025 7.747,1026 1.379,1027 9.267,1028 4.38,1029 6.267,1030 7.601,1031 2.962,1032 10.994,1033 6.038,1034 9.141,1035 1.099,1036 11.026,1037 3.738,1038 6.825,1039 8.47,1040 3.032,1041 12.976,1042 6.488,1043 10.568,1044 1,1045 12.832,1046 2.537,1047 8.256,1048 10.275,1049 4.052,1050 15.603,1051 7.882,1052 12.02,1053 0.497,1054 14.672,1055 2.275,1056 9.163,1057 11.5,1058 4.409,1059 17.916,1060 8.672,1061 13.492,1062 0.411,1063 16.539,1064 1.083,1065 10.425,1066 13.131,1067 5.254,1068 20.444,1069 9.887,1070 3.393,1071 -0.119,1072 18.427,1073 0.76,1074 11.49,1075 14.52,1076 5.75,1077 22.882,1078 10.839,1079 3.062,1080 12.509,1081 20.332,1082 -0.333,1083 12.697,1084 16.083,1085 6.502,1086 25.392,1087 11.982,1088 2.785,1089 9.8,1090 22.251,1091 4.707,1092 13.833,1093 17.546,1094 7.068,1095 27.878,1096 13.013,1097 2.494,1098 8.898,1099 24.182,1100 4.453,1101 15.025,1102 19.085,1103 7.771,1104 30.389,1105 14.129,1106 2.357,1107 7.045,1108 26.122,1109 3.807,1110 16.194,1111 20.584,1112 8.374,1113 32.896,1114 15.198,1115 2.198,1116 6.765,1117 28.071,1118 3.434,1119 17.387,1120 22.115,1121 9.051,1122 35.412,1123 16.307,1124 1.748,1125 6.497,1126 30.025,1127 3.125,1128 18.573,1129 23.631,1130 9.674,1131 37.928,1132 17.396,1133 13046,1134 23802,1135 22.364,1136 36.222,1137 51.526,1138 52.948,1139 52.731,1140 51.111,1141 51.164,1142 71.307,1143 5.832,1144 151.029,1145 48.531,1146 5.687,1147 6.686,1148 6.858,1149 5.433,1150 5.393,1151 7.707,1152 3.306,1153 19.859,1154 5.097,1155 16.9,1156 1.515,1157 1.557,1158 1.551,1159 1.503,1160 1.505,1161 2.097,1162 0.172,1163 4.442,1164 1.427,1165 4.123,1166 4.126,1167 4.737,1168 4.104,1169 7.717,1170 4.057,1171 4.04,1172 4.029,1173 4.323,1174 4.034,1175 7.43,1176 3.959,1177 3.84,1178 3.866,1179 3.839,1180 3.791,1181 6.999,1182 3.774,1183 3.626,1184 3.628,1185 3.718,1186 3.531,1187 4.98,1188 3.464,1189 3.563,1190 3.578,1191 3.498,1192 3.368,1193 4.848,1194 3.374,1195 3.245,1196 3.286,1197 3.34,1198 3.175,1199 4.724,1200 3.135,1201 3.19,1202 3.256,1203 3.004,1204 2.915,1205 4.329,1206 2.913,1207 2.914,1208 2.964,1209 2.907,1210 2.844,1211 4.27,1212 2.815,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.856,1219 0.138,1220 4.686,1221 0.056,1222 7.308,1223 0.368,1224 4.313,1225 0.091,1226 3.393,1227 4.707,1228 1.907,1229 12.509,1230 3.097,1231 2.01,1232 2.003,1233 2.069,1234 2.074,1235 1.227,1236 2.097,1237 1.938,1238 1.939,1239 1.97,1240 2.002,1241 1.151,1242 2.023,1243 1.766,1244 1.743,1245 1.858,1246 1.856,1247 0.976,1248 1.863,1249 1.525,1250 1.482,1251 1.727,1252 1.774,1253 0.738,1254 1.763,1255 1.429,1256 1.465,1257 1.569,1258 1.615,1259 0.616,1260 1.643,1261 1.197,1262 1.169,1263 1.268,1264 1.437,1265 0.512,1266 1.472,1267 1.148,1268 1.071,1269 1.222,1270 1.352,1271 0.432,1272 1.382,1273 0.981,1274 0.958,1275 1.181,1276 1.069,1277 0.272,1278 1.107,1279 4.234,1281 5.58,1282 2.398,1283 7.107,1284 4.727,1285 8.716,1286 6.823,1287 10.366,1289 2.966,1296 5.314,1297 5.076,1305 34.512,1306 88.62,1307 184.576,1308 224.629,1309 260.683,1310 262.683,1311 262.683,1312 62.118,1313 7.933,1314 97.39,1315 134.01,1316 23,1317 12.684,1318 4.7,1319 3.907,1320 49.628,1321 142,1322 152,1323 0.17,1324 218.657,1325 372.26,1326 525.282,1327 32928,1329 22.01,1330 0.71,1331 0.593,1332 22.613,1333 18.381,1334 14.836,1335 0.436,1336 0.341,1337 9.366,1338 13.093,1339 8.888,1340 7.403,1341 16.065,1342 11.594,1343 14.172,1344 0.289,1345 0.193,1346 16.141,1347 9.458,1348 11.091,1349 0.179,1350 0.11,1351 12.93,1352 6.82,1353 9.411,1354 0.116,1355 0.062,1356 11.375,1357 5.04,1358 7.24,1359 0.072,1360 0.034,1361 8.834,1362 3.398,1363 0.272,1364 105.198,1365 0.211,1366 29.413,1367 0.453,1368 166,1369 538.974,1370 244.9,1371 560.994,1372 758.6,1373 518,1374 194,1375 512.098,1376 274.871,1377 572.876,1378 831.67,1379 535,1380 7.319}
{0 CHEMBL1773602,1 1.86,2 13.485,3 3.195,4 10.207,5 125.143,6 9.592,7 0.611,8 4.041,9 4.117,10 3.971,11 3.689,12 5.279,13 3.656,14 4.529,15 4.638,16 4.309,17 4.048,18 5.953,19 4.01,20 4.707,21 4.828,22 4.334,23 4.17,24 6.047,25 4.107,26 4.778,27 4.924,28 4.344,29 4.167,30 6.13,31 4.089,32 4.769,33 4.945,34 4.247,35 4.087,36 6.113,37 4.021,38 4.63,39 4.781,40 4.223,41 4.036,42 6.125,43 3.979,44 4.598,45 4.734,46 4.144,47 3.999,48 6.003,49 3.947,50 4.634,51 4.809,52 4.057,53 3.923,54 6.009,55 3.852,56 0.159,57 0.768,58 8.186,59 4.623,60 20.81,61 4.141,62 0.522,63 1.207,64 15.679,65 7.593,66 61.851,67 7.405,68 0.54,69 1.433,70 21.378,71 9.78,72 68.223,73 8.439,74 0.584,75 1.521,76 25.673,77 10.901,78 66.614,79 10.146,80 0.693,81 1.488,82 28.493,83 10.46,84 108.736,85 9.998,86 0.621,87 1.287,88 21.505,89 9.082,90 91.774,91 9.648,92 0.45,93 1.278,94 21.07,95 8.758,96 53.617,97 8.024,98 0.661,99 1.28,100 24.554,101 9,102 108.198,103 7.862,104 47,105 52,106 0.304,107 0.675,108 0.795,109 0.86,110 0.86,111 0.86,112 3.532,113 0.987,114 -2.3,115 -2.34,116 -2.3,119 44,120 1,124 1,142 8,143 2,144 3,145 1,146 2,152 1,158 2,162 1,172 7,174 1,175 6,178 4,180 3,183 8,186 1,187 10,190 1,192 3,195 8,198 1,199 12,202 1,204 5,207 4,211 2,212 5,217 4,220 3,223 4,224 9,227 1,229 2,232 6,236 1,237 12,242 2,245 6,250 7,253 2,258 7,262 1,263 5,267 1,271 7,275 2001,276 21.969,277 21.969,278 21.969,279 21.969,280 21.969,281 18.913,282 18.804,283 12.624,284 22.647,285 17.657,286 17.657,287 17.657,288 17.657,289 17.657,290 12.761,291 19.149,292 5.853,293 18.743,294 3.784,295 1.521,296 0.79,297 0.39,298 0.39,299 0.39,300 4.223,304 1,305 1,306 951,307 4.183,310 83.872,311 322.136,314 146.019,318 2.044,319 47.234,322 1,323 0.67,324 1,325 0.4,327 0.83,328 1,329 0.7,330 72.5,331 445,332 4.861,333 4.686,334 7.312,335 4.323,336 3.401,337 4.71,338 2.035,339 12.532,340 3.116,341 4.52,342 4.069,343 6.361,344 4.02,345 3.07,346 4.454,347 1.907,348 9.846,349 2.941,350 4.309,351 3.536,352 6.197,353 3.823,354 2.879,355 3.986,356 0.86,357 9.268,358 2.697,359 3.952,360 3.069,361 5.935,362 3.529,363 2.567,364 3.441,365 0.149,366 8.35,367 2.454,368 3.878,369 2.901,370 5.344,371 3.418,372 2.469,373 3.379,375 6.902,376 2.34,377 3.639,378 2.809,379 5.255,380 3.268,381 2.287,382 2.898,384 6.601,385 2.237,386 3.331,387 2.569,388 4.847,389 2.706,390 1.754,391 2.433,393 5.036,394 1.637,395 3.184,396 2.1,397 4.507,398 2.67,399 1.713,400 2.355,402 4.536,403 1.628,404 3.104,405 1.879,406 4.392,407 2.467,408 1.531,409 2.293,411 4.384,412 1.423,413 3.018,414 1.553,415 4.333,416 2.417,417 1.457,418 2.102,420 4.044,421 1.382,422 2.852,423 1.526,424 4.209,425 2.34,426 1.378,427 1.997,428 3.738,429 1.317,430 2.697,431 1.426,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.5,439 1.077,440 3.258,441 1.564,442 0.635,443 1.108,445 1.259,446 0.588,447 1.912,448 1,449 3.172,450 1.358,451 0.495,452 0.602,454 0.958,455 0.422,456 1.654,457 0.598,458 2.945,459 1.301,460 0.395,461 0.554,463 0.747,464 0.351,465 16,466 0.485,467 0.974,468 0.03,469 50.25,470 1.523,471 29,472 0.879,473 21.25,474 0.644,475 24.167,476 0.732,477 33.8,478 0.676,479 41.104,480 1.246,481 9.655,482 0.293,483 6.129,484 0.186,485 0.15,486 0.052,487 0.313,493 0.641,494 1.179,495 0.746,496 1.054,497 0.616,498 0.816,499 0.724,500 1.002,501 0.793,502 0.88,503 0.539,504 0.785,505 1.186,506 1.041,507 1.182,508 1.05,509 1.028,510 0.997,511 1.026,512 1.147,513 1.155,514 1.177,515 1.001,516 1.103,517 1.091,518 0.942,519 1.075,520 0.972,521 1.253,522 0.917,523 0.577,524 1.013,525 0.872,526 0.979,527 0.581,528 0.915,529 1.093,530 1.207,531 1.182,532 1.186,533 1.093,534 1.081,535 1.396,536 0.841,537 0.984,538 0.784,539 1.674,540 0.953,541 9,542 0.291,543 4.222,544 2.542,545 2.009,546 1.74,547 0.882,548 0.586,549 0.451,550 0.329,551 15299,552 54224,553 2.036,554 34,556 11,558 1,559 2,560 3,564 1.753,565 1.877,566 3.687,567 0.282,569 1,573 92.989,574 1.86,575 4.123,576 4.854,577 5.254,578 5.254,579 5.254,580 3.195,581 4.597,582 5.011,583 3.846,584 2030.91,585 8.784,586 30384.6,591 282.193,592 1.628,593 4.954,594 0.25,595 0.009,596 0.081,597 0.048,598 0.04,599 0.037,600 0.018,601 0.013,602 0.012,603 0.009,604 0.518,605 0.33,606 0.75,607 1.067,608 175.645,609 0.008,610 -0.111,611 0.145,612 -0.054,613 -0.108,614 0.028,615 0.178,616 0.026,617 0.113,618 0.092,619 0.179,620 0.098,621 -0.223,622 -0.008,623 -0.183,624 -0.024,625 -0.116,626 -0.091,627 -0.093,628 -0.141,629 -0.09,630 -0.122,631 -0.051,632 -0.132,633 -0.105,634 0.067,635 -0.027,636 0.04,637 -0.136,638 0.077,639 0.291,640 -0.032,641 0.085,642 0.002,643 0.309,644 0.062,645 -0.169,646 -0.191,647 -0.199,648 -0.185,649 -0.076,650 -0.15,651 -0.287,652 0.147,653 -0.061,654 0.137,655 -0.323,656 0.001,657 4.874,658 5.853,659 0.636,660 37.052,661 1.025,662 1.113,663 1.072,664 1.15,665 0.734,666 3.611,667 3.97,668 4.22,669 4.477,670 4.71,671 4.868,672 4.997,673 5.056,674 5.193,675 5.342,676 7.615,677 0.71,678 479.58,679 3.611,680 5.176,681 6.028,682 6.923,683 7.794,684 8.693,685 9.573,686 10.473,687 11.357,688 12.258,689 10,694 1,696 1,698 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,713 1,729 1,731 50,733 26,734 2,735 36,737 53,738 22,739 18,740 5,741 7,746 4,747 5,752 1,760 1,761 19,762 2,766 3,769 1,771 3,775 1,781 17,782 9,783 2,784 11,785 2,790 5,794 0.75,795 4,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,848 33,852 1,855 2,856 1,861 1,863 1,866 1,868 1,870 8,873 3,875 1,877 17.583,878 9.85,879 7.208,880 2.676,881 4.219,882 1.526,883 1.006,884 6.393,885 12.247,886 3.97,887 4.627,888 5.203,889 5.821,890 6.374,891 6.793,892 7.25,893 7.617,894 8.003,895 8.503,896 1,897 53,898 12.446,900 5.654,901 8.088,902 22.436,904 18.328,905 2.588,906 85.417,910 176.567,911 185.027,912 99.046,914 80.458,916 37.085,917 147.942,918 257.024,919 99.046,920 19.708,921 18.011,922 81.617,923 152.511,924 72.43,925 0.746,926 196.073,928 176.567,929 246.988,930 80.458,931 37.085,933 176.567,934 80.458,937 72.344,938 124.667,939 55.783,940 31.278,941 176.567,942 179.504,943 185.027,945 5.807,946 176.567,947 58.052,948 104.566,949 51.017,950 145.088,951 176.567,952 179.504,953 185.027,955 0.588,956 0.337,957 0.176,958 0.096,959 25,960 12,961 0.113,962 6,963 1,964 1.095,965 4.303,966 306.709,967 0.095,968 21,969 160.465,970 1,973 1,974 22.817,975 9.246,976 5.017,977 1.551,978 179.504,979 14.426,980 8.48,983 1.319,984 2.405,986 34.416,987 541.097,988 52,991 -3.958,993 36.989,997 -0.209,999 51.273,1000 55.66,1001 0.33,1002 0.731,1003 0.86,1004 0.931,1005 0.931,1006 0.931,1007 5.223,1008 1.713,1009 6.057,1010 5.036,1011 4.654,1012 5.316,1013 2.822,1014 6.911,1015 4.541,1016 6.49,1017 1.531,1018 7.651,1019 4.536,1020 4.443,1021 5.394,1022 1.593,1023 8.061,1024 4.261,1025 7.846,1026 1.457,1027 9.351,1028 4.384,1029 6.337,1030 7.667,1031 3.982,1032 11.085,1033 6.102,1034 9.241,1035 1.378,1036 11.117,1037 4.044,1038 6.909,1039 8.542,1040 3.032,1041 13.059,1042 6.582,1043 10.668,1044 1,1045 12.925,1046 3.738,1047 8.332,1048 10.34,1049 5.295,1050 15.684,1051 7.959,1052 12.118,1053 0.635,1054 14.766,1055 2.275,1056 9.246,1057 11.568,1058 4.409,1059 17.983,1060 8.771,1061 13.588,1062 0.495,1063 16.631,1064 1.259,1065 10.503,1066 13.192,1067 6.658,1068 20.506,1069 9.974,1070 3.401,1071 0.395,1072 18.516,1073 0.958,1074 11.569,1075 14.58,1076 5.75,1077 22.934,1078 10.939,1079 3.07,1080 12.532,1081 20.417,1082 0.747,1083 12.772,1084 16.138,1085 8.039,1086 25.439,1087 12.076,1088 2.879,1089 9.846,1090 22.331,1091 4.71,1092 13.907,1093 17.599,1094 7.068,1095 27.92,1096 13.114,1097 2.567,1098 9.268,1099 24.256,1100 4.454,1101 15.097,1102 19.133,1103 9.429,1104 30.429,1105 14.228,1106 2.469,1107 8.35,1108 26.191,1109 3.986,1110 16.264,1111 20.629,1112 8.374,1113 32.933,1114 15.302,1115 2.287,1116 6.902,1117 28.133,1118 3.441,1119 17.455,1120 22.156,1121 10.824,1122 35.448,1123 16.411,1124 1.754,1125 6.601,1126 30.083,1127 3.379,1128 18.64,1129 23.669,1130 9.674,1131 37.963,1132 17.504,1133 14779,1134 28011,1135 23.463,1136 36.71,1137 55.486,1138 58.506,1139 56.295,1140 53.989,1141 54.06,1142 75.623,1143 9.901,1144 160.949,1145 51.064,1146 5.698,1147 6.686,1148 6.862,1149 5.444,1150 5.401,1151 7.71,1152 4.069,1153 19.935,1154 5.116,1155 19.149,1156 1.541,1157 1.625,1158 1.564,1159 1.5,1160 1.502,1161 2.101,1162 0.275,1163 4.471,1164 1.418,1165 4.122,1166 4.126,1167 4.737,1168 4.098,1169 7.717,1170 4.051,1171 4.04,1172 4.03,1173 4.323,1174 4.034,1175 7.43,1176 3.959,1177 3.84,1178 3.87,1179 3.859,1180 3.757,1181 6.999,1182 3.755,1183 3.623,1184 3.629,1185 3.718,1186 3.526,1187 6.821,1188 3.46,1189 3.566,1190 3.579,1191 3.518,1192 3.372,1193 4.986,1194 3.378,1195 3.295,1196 3.33,1197 3.366,1198 3.197,1199 4.849,1200 3.182,1201 3.191,1202 3.263,1203 3.108,1204 2.976,1205 4.791,1206 2.957,1207 3.079,1208 3.133,1209 3.003,1210 2.911,1211 4.329,1212 2.909,1213 0.135,1214 0.13,1215 0.203,1216 0.12,1217 0.094,1218 4.861,1219 0.131,1220 4.686,1221 0.057,1222 7.312,1223 0.348,1224 4.323,1225 0.087,1226 3.401,1227 4.71,1228 2.035,1229 12.532,1230 3.116,1231 1.995,1232 1.991,1233 2.035,1234 2.072,1235 1.201,1236 2.089,1237 1.936,1238 1.935,1239 1.97,1240 2.001,1241 1.15,1242 2.019,1243 1.742,1244 1.717,1245 1.799,1246 1.856,1247 0.899,1248 1.849,1249 1.525,1250 1.482,1251 1.727,1252 1.775,1253 0.738,1254 1.763,1255 1.418,1256 1.455,1257 1.568,1258 1.612,1259 0.608,1260 1.634,1261 1.2,1262 1.169,1263 1.274,1264 1.434,1265 0.502,1266 1.468,1267 1.149,1268 1.102,1269 1.181,1270 1.362,1271 0.431,1272 1.384,1273 1.117,1274 1.063,1275 1.174,1276 1.251,1277 0.218,1278 1.238,1279 4.29,1281 5.638,1282 2.398,1283 7.172,1284 4.727,1285 8.789,1286 6.823,1287 10.449,1289 2.9,1296 5.115,1297 5.06,1303 9.427,1304 1.911,1305 35.501,1306 92.989,1307 206.154,1308 242.683,1309 262.683,1310 262.683,1311 262.683,1312 75.799,1313 8.028,1314 134.07,1315 170.69,1316 23,1317 12.783,1318 4.755,1319 4.087,1320 54.379,1321 149,1322 166,1323 0.176,1324 226.391,1325 388.98,1326 544.153,1327 35708,1329 23.587,1330 0.715,1331 0.579,1332 24.191,1333 19.12,1334 15.784,1335 0.438,1336 0.329,1337 9.592,1338 13.935,1339 9.121,1340 7.59,1341 17.014,1342 11.844,1343 14.88,1344 0.286,1345 0.185,1346 16.85,1347 9.609,1348 11.946,1349 0.178,1350 0.103,1351 13.772,1352 6.927,1353 9.975,1354 0.115,1355 0.058,1356 11.938,1357 5.065,1358 7.756,1359 0.071,1360 0.031,1361 9.458,1362 3.44,1363 0.279,1364 111.698,1365 0.206,1366 30.751,1367 0.478,1368 176,1369 610.264,1370 257.314,1371 631.975,1372 848.23,1373 582,1374 207,1375 572.972,1376 290.757,1377 635.019,1378 920.31,1379 592,1380 8.854}
{0 CHEMBL1773603,1 1.805,2 13.5,3 3.17,4 10.049,5 124.369,6 9.012,7 0.629,8 4.07,9 4.154,10 3.953,11 3.702,12 5.228,13 3.657,14 4.575,15 4.701,16 4.297,17 4.064,18 5.942,19 4.014,20 4.739,21 4.87,22 4.308,23 4.183,24 6.005,25 4.108,26 4.821,27 4.978,28 4.306,29 4.188,30 6.081,31 4.09,32 4.836,33 5.033,34 4.195,35 4.119,36 6.056,37 4.022,38 4.703,39 4.864,40 4.159,41 4.063,42 5.994,43 3.981,44 4.663,45 4.813,46 4.084,47 4.036,48 5.926,49 3.95,50 4.752,51 4.964,52 3.986,53 3.978,54 5.908,55 3.856,56 0.135,57 0.789,58 10.367,59 5.078,60 17.101,61 5.105,62 0.502,63 1.252,64 19.492,65 8.355,66 59.945,67 8.983,68 0.479,69 1.468,70 24.78,71 10.279,72 56.629,73 9.797,74 0.522,75 1.563,76 29.373,77 11.539,78 57.409,79 11.714,80 0.645,81 1.543,82 36.454,83 12.347,84 84.953,85 13.019,86 0.631,87 1.332,88 25.574,89 10.11,90 71.979,91 10.921,92 0.387,93 1.327,94 24.326,95 9.819,96 45.943,97 10.187,98 0.618,99 1.359,100 31.785,101 11.175,102 86.302,103 11.965,104 42,105 51,106 0.296,107 0.647,108 0.775,109 0.857,110 0.857,111 0.857,112 3.502,113 1.017,114 -3.11,115 -3.11,116 -2.99,119 42.3,120 2,124 1,142 8,143 2,144 3,145 1,146 2,152 1,158 1,162 1,172 7,174 1,175 7,178 4,180 3,183 8,187 10,190 1,192 4,195 9,198 1,199 11,204 5,207 5,211 2,212 6,217 4,220 4,223 2,224 8,227 1,229 2,232 10,236 1,237 8,242 2,245 9,250 4,253 2,258 8,262 1,263 6,267 1,271 7,275 1782,276 21.099,277 21.099,278 21.099,279 21.099,280 21.099,281 18.082,282 17.784,283 12.104,284 21.775,285 17.219,286 17.219,287 17.219,288 17.219,289 17.219,290 12.513,291 18.412,292 5.703,293 18.286,294 3.895,295 1.751,296 0.967,297 0.467,298 0.467,299 0.467,300 4.192,304 1,305 1,306 926,307 4.062,310 80.154,311 310.597,314 139.686,318 2.094,319 41.254,322 1,323 0.83,324 1,325 0.6,327 0.83,328 1,329 0.75,330 70,331 432,332 4.86,333 4.686,334 7.312,335 4.321,336 3.4,337 4.71,338 1.907,339 12.528,340 3.113,341 4.518,342 3.536,343 6.354,344 4.018,345 3.068,346 4.454,347 0.86,348 9.826,349 2.938,350 4.262,351 3.087,352 6.155,353 3.805,354 2.86,355 3.939,356 0.149,357 9.118,358 2.68,359 3.903,360 2.957,361 5.877,362 3.505,363 2.544,364 3.437,366 8.092,367 2.432,368 3.85,369 2.81,370 5.342,371 3.41,372 2.461,373 3.321,375 6.895,376 2.332,377 3.623,378 2.597,379 5.254,380 3.263,381 2.282,382 2.885,384 6.595,385 2.233,386 3.202,387 2.102,388 4.817,389 2.702,390 1.751,391 2.416,393 4.956,394 1.63,395 3.124,396 1.888,397 4.489,398 2.65,399 1.689,400 2.342,402 4.488,403 1.609,404 3.024,405 1.555,406 4.386,407 2.457,408 1.526,409 2.279,411 4.383,412 1.405,413 2.852,414 1.526,415 4.275,416 2.355,417 1.395,418 2.001,420 3.861,421 1.336,422 2.822,423 1.425,424 4.147,425 2.337,426 1.372,427 1.945,428 3.685,429 1.312,430 2.5,431 1.077,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 1,440 3.25,441 1.367,442 0.499,443 0.644,445 1.135,446 0.427,447 1.655,448 0.596,449 3.168,450 1.349,451 0.441,452 0.557,454 0.776,455 0.395,456 1.486,457 0.511,458 2.82,459 1.126,460 0.187,461 0.233,463 0.458,464 0.174,465 15.6,466 0.488,467 1.012,468 0.032,469 46.5,470 1.453,471 26,472 0.813,473 20.5,474 0.641,475 25.164,476 0.786,477 33.6,478 0.646,479 37.232,480 1.164,481 8.989,482 0.281,483 6.257,484 0.196,485 0.16,486 0.053,487 0.321,493 0.631,494 1.221,495 0.759,496 1.074,497 0.655,498 0.862,499 0.705,500 1.011,501 0.765,502 0.863,503 0.554,504 0.774,505 1.239,506 1.073,507 1.181,508 1.039,509 1.133,510 0.997,511 1.054,512 1.176,513 1.161,514 1.174,515 1.042,516 1.126,517 1.002,518 0.946,519 1.139,520 1.035,521 1.128,522 0.905,523 0.884,524 1.007,525 0.961,526 0.968,527 1.06,528 0.97,529 1.021,530 1.23,531 1.187,532 1.24,533 1.043,534 1.197,535 1.149,536 0.805,537 0.882,538 0.802,539 1.332,540 0.967,541 9,542 0.255,543 4.222,544 2.542,545 1.969,546 1.566,547 0.882,548 0.586,549 0.427,550 0.298,551 14380,552 47349,553 2.037,554 38.5,556 11,558 1,559 2,560 6,564 1.744,565 1.873,566 3.701,567 0.27,569 1,573 93.877,574 1.805,575 3.949,576 4.734,577 5.234,578 5.234,579 5.234,580 3.215,581 4.328,582 4.967,583 3.849,584 1909.21,585 8.686,586 28029.9,591 296.423,592 1.646,593 4.907,594 0.257,595 0.009,596 0.083,597 0.05,598 0.042,599 0.035,600 0.02,601 0.014,602 0.013,603 0.009,604 0.531,605 0.33,606 0.88,607 1.015,608 169.097,609 0.025,610 -0.114,611 0.157,612 -0.047,613 -0.146,614 0.029,615 0.21,616 0.044,617 0.157,618 0.116,619 0.225,620 0.137,621 -0.246,622 0.001,623 -0.18,624 -0.018,625 -0.145,626 -0.092,627 -0.115,628 -0.141,629 -0.115,630 -0.134,631 -0.061,632 -0.169,633 -0.044,634 0.061,635 -0.028,636 0.022,637 -0.039,638 0.107,639 0.099,640 -0.031,641 -0.015,642 0.008,643 0.016,644 -0.005,645 -0.13,646 -0.215,647 -0.22,648 -0.241,649 -0.066,650 -0.247,651 -0.135,652 0.123,653 0.046,654 0.125,655 -0.175,656 0.041,657 4.713,658 5.846,659 0.656,660 35.129,661 1.018,662 1.115,663 1.88,664 3.535,665 0.716,666 3.584,667 3.951,668 4.19,669 4.443,670 4.682,671 4.812,672 4.942,673 5.011,674 5.142,675 5.257,676 7.598,677 0.683,678 468.6,679 3.584,680 5.153,681 6.004,682 6.899,683 7.769,684 8.667,685 9.546,686 10.444,687 11.328,688 12.227,689 7.7,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,729 1,731 52,733 25,734 2,735 35,737 55,738 22,739 18,740 5,741 7,746 4,747 5,752 2,761 19,762 3,766 3,769 1,771 3,775 1,778 1,781 20,782 8,783 2,784 10,785 2,790 4,794 0.75,795 4,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 3,848 32,852 1,855 2,856 1,863 1,870 7.7,873 3,875 1,877 17.083,878 10.4,879 6.875,880 2.814,881 4.217,882 1.528,883 1.008,884 6.245,885 12.199,886 3.912,887 4.598,888 5.153,889 5.766,890 6.331,891 6.708,892 7.161,893 7.548,894 7.912,895 8.35,896 1,897 51,898 12.066,900 5.424,901 7.966,902 22.102,904 18.128,905 2.466,906 78.917,910 211.88,911 177.25,912 67.987,914 80.458,916 37.085,917 140.165,918 292.338,919 67.987,920 28.533,921 18.011,922 81.617,923 135.91,924 41.371,925 0.746,926 231.386,928 211.88,929 208.152,930 80.458,931 37.085,933 211.88,934 80.458,937 50.11,938 108.066,939 55.783,940 31.278,941 211.88,942 148.445,943 177.25,945 5.807,946 211.88,947 58.052,948 113.391,949 34.416,950 114.029,951 211.88,952 148.445,953 177.25,955 0.594,956 0.335,957 0.172,958 0.096,959 25,960 12,961 0.109,962 6,963 1,964 1.095,965 4.246,966 293.346,967 0.095,968 21,969 154,970 1,973 1,974 22.341,975 8.946,976 4.987,977 1.662,978 148.445,979 15.271,980 8.753,983 1.367,984 3.773,986 34.416,987 537.575,988 49,991 -3.796,993 36.974,997 -0.18,999 52.938,1000 57.992,1001 0.317,1002 0.693,1003 0.83,1004 0.918,1005 0.918,1006 0.918,1007 5.162,1008 1.689,1009 6.038,1010 4.956,1011 4.635,1012 5.286,1013 2.143,1014 6.891,1015 4.522,1016 6.429,1017 1.526,1018 7.633,1019 4.488,1020 4.443,1021 5.394,1022 1.593,1023 8.038,1024 4.261,1025 7.789,1026 1.395,1027 9.334,1028 4.383,1029 6.319,1030 7.641,1031 2.962,1032 11.061,1033 6.083,1034 9.188,1035 1.372,1036 11.099,1037 3.861,1038 6.899,1039 8.529,1040 3.032,1041 13.034,1042 6.57,1043 10.618,1044 1,1045 12.907,1046 3.685,1047 8.316,1048 10.319,1049 4.052,1050 15.661,1051 7.94,1052 12.072,1053 0.499,1054 14.747,1055 2.275,1056 9.232,1057 11.551,1058 4.409,1059 17.961,1060 8.754,1061 13.545,1062 0.441,1063 16.613,1064 1.135,1065 10.488,1066 13.173,1067 5.254,1068 20.487,1069 9.954,1070 3.4,1071 0.187,1072 18.497,1073 0.776,1074 11.555,1075 14.563,1076 5.75,1077 22.917,1078 10.92,1079 3.068,1080 12.528,1081 20.399,1082 0.458,1083 12.757,1084 16.121,1085 6.502,1086 25.425,1087 12.056,1088 2.86,1089 9.826,1090 22.313,1091 4.71,1092 13.893,1093 17.584,1094 7.068,1095 27.907,1096 13.094,1097 2.544,1098 9.118,1099 24.239,1100 4.454,1101 15.083,1102 19.119,1103 7.771,1104 30.418,1105 14.207,1106 2.461,1107 8.092,1108 26.175,1109 3.939,1110 16.251,1111 20.616,1112 8.374,1113 32.923,1114 15.281,1115 2.282,1116 6.895,1117 28.118,1118 3.437,1119 17.442,1120 22.144,1121 9.051,1122 35.439,1123 16.389,1124 1.751,1125 6.595,1126 30.069,1127 3.321,1128 18.628,1129 23.658,1130 9.674,1131 37.955,1132 17.482,1133 13847,1134 25312,1135 22.77,1136 37.227,1137 53.195,1138 54.691,1139 54.881,1140 52.874,1141 52.952,1142 73.325,1143 5.832,1144 158.142,1145 50.032,1146 5.696,1147 6.686,1148 6.862,1149 5.442,1150 5.4,1151 7.71,1152 3.306,1153 19.922,1154 5.113,1155 18.702,1156 1.52,1157 1.563,1158 1.568,1159 1.511,1160 1.513,1161 2.095,1162 0.167,1163 4.518,1164 1.429,1165 4.123,1166 4.127,1167 4.737,1168 4.099,1169 7.717,1170 4.051,1171 4.04,1172 4.03,1173 4.323,1174 4.034,1175 7.43,1176 3.959,1177 3.84,1178 3.872,1179 3.847,1180 3.757,1181 6.999,1182 3.752,1183 3.623,1184 3.629,1185 3.718,1186 3.526,1187 4.993,1188 3.46,1189 3.566,1190 3.58,1191 3.508,1192 3.373,1193 4.852,1194 3.376,1195 3.291,1196 3.338,1197 3.352,1198 3.196,1199 4.828,1200 3.168,1201 3.191,1202 3.263,1203 3.006,1204 2.971,1205 4.329,1206 2.926,1207 3.07,1208 3.144,1209 2.989,1210 2.911,1211 4.293,1212 2.908,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.86,1219 0.135,1220 4.686,1221 0.054,1222 7.312,1223 0.358,1224 4.321,1225 0.089,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.113,1231 1.997,1232 1.992,1233 2.044,1234 2.076,1235 1.209,1236 2.094,1237 1.936,1238 1.935,1239 1.97,1240 2.001,1241 1.15,1242 2.021,1243 1.751,1244 1.723,1245 1.85,1246 1.867,1247 0.966,1248 1.869,1249 1.525,1250 1.482,1251 1.727,1252 1.775,1253 0.739,1254 1.763,1255 1.42,1256 1.456,1257 1.569,1258 1.617,1259 0.618,1260 1.643,1261 1.22,1262 1.171,1263 1.508,1264 1.436,1265 0.595,1266 1.473,1267 1.181,1268 1.143,1269 1.247,1270 1.411,1271 0.502,1272 1.442,1273 1.145,1274 1.067,1275 1.181,1276 1.32,1277 0.431,1278 1.367,1279 4.263,1281 5.617,1282 2.398,1283 7.152,1284 4.727,1285 8.768,1286 6.823,1287 10.427,1289 4.693,1296 5.315,1297 5.085,1305 35.533,1306 93.877,1307 205.364,1308 246.158,1309 272.158,1310 272.158,1311 272.158,1312 67.484,1313 7.981,1314 110.28,1315 146.9,1316 23,1317 12.752,1318 4.7,1319 3.907,1320 51.986,1321 146,1322 158,1323 0.174,1324 225.451,1325 383.26,1326 541.86,1327 34249,1329 22.88,1330 0.715,1331 0.599,1332 23.484,1333 19.173,1334 15.246,1335 0.436,1336 0.339,1337 9.626,1338 13.435,1339 9.095,1340 7.588,1341 16.476,1342 11.87,1343 14.689,1344 0.288,1345 0.191,1346 16.659,1347 9.734,1348 11.645,1349 0.179,1350 0.108,1351 13.47,1352 7.021,1353 9.561,1354 0.114,1355 0.061,1356 11.541,1357 5.121,1358 7.662,1359 0.072,1360 0.033,1361 9.366,1362 3.549,1363 0.277,1364 108.116,1365 0.21,1366 30.065,1367 0.468,1368 172,1369 566.619,1370 252.621,1371 586.649,1372 793.93,1373 542,1374 202,1375 539.563,1376 284.897,1377 600.281,1378 871.64,1379 560,1380 8.921}
{0 CHEMBL1773604,1 1.947,2 13.5,3 3.761,4 14.145,5 125.644,6 9.98,7 0.629,8 4.026,9 4.098,10 3.985,11 3.68,12 5.215,13 3.639,14 4.523,15 4.629,16 4.349,17 4.044,18 5.947,19 3.999,20 4.691,21 4.809,22 4.381,23 4.164,24 6.005,25 4.089,26 4.758,27 4.899,28 4.394,29 4.156,30 6.063,31 4.058,32 4.731,33 4.897,34 4.31,35 4.058,36 6.101,37 3.985,38 4.587,39 4.737,40 4.257,41 4.021,42 5.903,43 3.936,44 4.572,45 4.7,46 4.202,47 3.977,48 5.928,49 3.896,50 4.559,51 4.72,52 4.132,53 3.877,54 5.859,55 3.776,56 0.171,57 0.737,58 7.313,59 4.578,60 17.574,61 4.135,62 0.567,63 1.164,64 15.289,65 7.588,66 59.981,67 7.401,68 0.585,69 1.35,70 20.976,71 9.826,72 57.765,73 8.45,74 0.658,75 1.405,76 32.243,77 11.347,78 65.181,79 10.284,80 0.813,81 1.354,82 28.803,83 10.518,84 102.397,85 9.934,86 0.577,87 1.179,88 21.478,89 9.19,90 44.837,91 9.712,92 0.556,93 1.136,94 26.89,95 9.217,96 54.249,97 8.216,98 0.704,99 1.081,100 30.983,101 9.347,102 89.957,103 7.921,104 42,105 51,106 0.322,107 0.672,108 0.796,109 0.863,110 0.863,111 0.863,112 3.502,113 1.023,114 -3.11,115 -3.11,116 -2.99,119 42.9,120 1,124 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 7,174 1,175 7,178 4,180 3,183 8,187 10,190 1,192 4,195 9,198 1,199 11,204 5,207 5,211 2,212 6,217 4,220 4,223 2,224 8,227 1,229 2,232 10,236 1,237 8,242 2,245 9,250 4,253 2,258 8,262 1,263 6,267 1,271 7,275 1782,276 21.099,277 21.099,278 21.099,279 21.099,280 21.099,281 18.082,282 17.124,283 12.104,284 21.893,285 17.219,286 17.219,287 17.219,288 17.219,289 17.219,290 12.513,291 17.425,292 5.703,293 18.545,294 3.668,295 1.552,296 0.806,297 0.398,298 0.398,299 0.398,300 4.192,302 1,305 1,306 926,307 4.062,310 80.154,311 310.597,314 139.686,318 2.094,319 44.265,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 70.333,331 432,332 4.86,333 4.686,334 7.312,335 4.319,336 3.4,337 4.71,338 1.907,339 12.528,340 3.1,341 4.518,342 3.536,343 6.354,344 4.015,345 3.068,346 4.454,347 0.86,348 9.826,349 2.931,350 4.262,351 3.188,352 6.155,353 3.786,354 2.86,355 3.939,356 0.149,357 9.118,358 2.633,359 3.903,360 3.024,361 5.877,362 3.482,363 2.544,364 3.437,366 8.092,367 2.383,368 3.85,369 2.811,370 5.342,371 3.396,372 2.461,373 3.321,375 6.895,376 2.284,377 3.623,378 2.657,379 5.254,380 3.256,381 2.282,382 2.885,384 6.595,385 2.194,386 3.202,387 2.116,388 4.817,389 2.7,390 1.751,391 2.416,393 4.956,394 1.63,395 3.124,396 1.987,397 4.489,398 2.637,399 1.689,400 2.342,402 4.488,403 1.578,404 3.024,405 1.647,406 4.386,407 2.455,408 1.526,409 2.279,411 4.383,412 1.4,413 2.852,414 1.527,415 4.275,416 2.341,417 1.395,418 2.001,420 3.861,421 1.319,422 2.822,423 1.434,424 4.147,425 2.296,426 1.372,427 1.945,428 3.685,429 1.204,430 2.5,431 1.077,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 1,440 3.25,441 1.361,442 0.499,443 0.644,445 1.135,446 0.425,447 1.655,448 0.664,449 3.168,450 1.339,451 0.441,452 0.557,454 0.776,455 0.384,456 1.486,457 0.581,458 2.82,459 1.043,460 0.187,461 0.233,463 0.458,464 0.143,465 15.814,466 0.494,467 1.012,468 0.032,469 46.75,470 1.461,471 26,472 0.813,473 20.75,474 0.648,475 25.049,476 0.783,477 33.386,478 0.681,479 37.347,480 1.167,481 9.018,482 0.282,483 6.229,484 0.195,485 0.172,486 0.053,487 0.316,493 0.634,494 1.211,495 0.678,496 1.015,497 0.653,498 0.802,499 0.688,500 1.004,501 0.72,502 0.855,503 0.561,504 0.77,505 1.15,506 1.07,507 1.065,508 1.027,509 1.104,510 0.986,511 1.093,512 1.157,513 1.162,514 1.172,515 1.102,516 1.11,517 0.965,518 0.933,519 0.957,520 0.945,521 1.139,522 0.898,523 0.625,524 1.066,525 0.89,526 0.967,527 0.604,528 0.921,529 1.301,530 1.15,531 1.504,532 1.229,533 1.202,534 1.113,535 1.48,536 0.795,537 1.115,538 0.819,539 1.651,540 0.97,541 9,542 0.255,543 4.222,544 2.542,545 1.969,546 1.566,547 0.882,548 0.586,549 0.427,550 0.298,551 14380,552 52029,553 2.037,554 34.7,556 11,558 1,559 2,560 3,564 1.744,565 1.873,566 3.701,567 0.301,569 1,573 95.395,574 1.947,575 4.063,576 4.808,577 5.217,578 5.217,579 5.217,580 3.215,581 4.328,582 4.967,583 3.849,584 1909.21,585 8.686,586 28029.9,591 275.121,592 1.646,593 4.907,594 0.257,595 0.009,596 0.083,597 0.05,598 0.042,599 0.035,600 0.02,601 0.014,602 0.013,603 0.009,604 0.531,605 0.33,606 0.88,607 1.015,608 169.097,609 0.002,610 -0.117,611 0.104,612 -0.054,613 -0.145,614 0.028,615 0.192,616 0.052,617 0.101,618 0.086,619 0.21,620 0.097,621 -0.207,622 -0.023,623 -0.135,624 -0.021,625 -0.134,626 -0.087,627 -0.14,628 -0.148,629 -0.09,630 -0.118,631 -0.096,632 -0.138,633 0.027,634 0.073,635 0.035,636 0.042,637 -0.006,638 0.085,639 0.197,640 -0.085,641 0.09,642 0.021,643 0.16,644 0.07,645 -0.256,646 -0.151,647 -0.286,648 -0.186,649 -0.119,650 -0.164,651 -0.3,652 0.162,653 -0.032,654 0.149,655 -0.314,656 0.002,657 4.797,658 5.787,659 0.656,660 35.129,661 1.028,662 1.113,663 1.88,664 3.535,665 0.741,666 3.584,667 3.951,668 4.19,669 4.443,670 4.682,671 4.812,672 4.942,673 5.011,674 5.142,675 5.257,676 7.598,677 0.711,678 489.01,679 3.584,680 5.153,681 6.004,682 6.899,683 7.769,684 8.667,685 9.546,686 10.444,687 11.328,688 12.227,689 8.2,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,729 1,730 1,731 49,733 25,734 2,735 35,737 52,738 21,739 18,740 5,741 7,746 4,747 5,748 1,752 1,761 19,762 2,766 3,769 1,771 3,775 1,781 17,782 8,783 2,784 11,785 3,790 4,794 0.75,795 4,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 2,845 1,848 32,852 1,855 2,856 1,863 1,869 1,870 8.2,873 3,875 1,877 17.083,878 9.543,879 6.875,880 2.6,881 4.217,882 1.528,883 1.011,884 6.445,885 12.199,886 3.912,887 4.598,888 5.153,889 5.766,890 6.331,891 6.708,892 7.161,893 7.548,894 7.912,895 8.35,896 1,897 51,898 12.069,900 5.478,901 8.032,902 21.888,904 17.962,905 2.532,906 81.028,910 176.567,911 168.74,912 67.987,913 39.149,914 80.458,916 37.085,917 131.655,918 296.173,919 67.987,920 19.708,921 18.011,922 81.617,923 135.91,924 38.614,925 42.966,926 196.073,928 176.567,929 199.642,930 80.458,931 76.234,933 176.567,934 80.458,937 38.528,938 111.137,939 55.783,940 70.426,941 176.567,942 148.445,943 207.889,945 5.807,946 176.567,947 58.367,948 104.566,949 34.416,950 153.177,951 176.567,952 148.445,953 207.889,955 0.594,956 0.335,957 0.172,958 0.096,959 25,960 12,961 0.115,962 6,963 1,964 1.095,965 4.246,966 293.346,967 0.095,968 21,969 151.245,970 1,973 1,974 22.616,975 9.119,976 5.102,977 1.603,978 148.445,979 14.736,980 8.498,983 1.341,984 2.762,986 34.416,987 532.9,988 49,991 -3.881,993 36.844,997 -0.194,999 50.378,1000 54.521,1001 0.347,1002 0.724,1003 0.856,1004 0.929,1005 0.929,1006 0.929,1007 5.162,1008 1.689,1009 6.038,1010 4.956,1011 4.635,1012 5.286,1013 2.143,1014 6.891,1015 4.497,1016 6.429,1017 1.526,1018 7.633,1019 4.488,1020 4.443,1021 5.394,1022 1.593,1023 8.038,1024 4.214,1025 7.789,1026 1.395,1027 9.334,1028 4.383,1029 6.319,1030 7.641,1031 2.962,1032 11.061,1033 6.045,1034 9.188,1035 1.372,1036 11.099,1037 3.861,1038 6.899,1039 8.529,1040 3.032,1041 13.034,1042 6.514,1043 10.618,1044 1,1045 12.907,1046 3.685,1047 8.316,1048 10.319,1049 4.052,1050 15.661,1051 7.89,1052 12.072,1053 0.499,1054 14.747,1055 2.275,1056 9.232,1057 11.551,1058 4.409,1059 17.961,1060 8.693,1061 13.545,1062 0.441,1063 16.613,1064 1.135,1065 10.488,1066 13.173,1067 5.254,1068 20.487,1069 9.897,1070 3.4,1071 0.187,1072 18.497,1073 0.776,1074 11.555,1075 14.563,1076 5.75,1077 22.917,1078 10.856,1079 3.068,1080 12.528,1081 20.399,1082 0.458,1083 12.757,1084 16.121,1085 6.502,1086 25.425,1087 11.993,1088 2.86,1089 9.826,1090 22.313,1091 4.71,1092 13.893,1093 17.584,1094 7.068,1095 27.907,1096 13.027,1097 2.544,1098 9.118,1099 24.239,1100 4.454,1101 15.083,1102 19.119,1103 7.771,1104 30.418,1105 14.14,1106 2.461,1107 8.092,1108 26.175,1109 3.939,1110 16.251,1111 20.616,1112 8.374,1113 32.923,1114 15.211,1115 2.282,1116 6.895,1117 28.118,1118 3.437,1119 17.442,1120 22.144,1121 9.051,1122 35.439,1123 16.318,1124 1.751,1125 6.595,1126 30.069,1127 3.321,1128 18.628,1129 23.658,1130 9.674,1131 37.955,1132 17.408,1133 13847,1134 26536,1135 22.77,1136 36.324,1137 53.195,1138 55.061,1139 54.881,1140 52.909,1141 52.952,1142 73.325,1143 5.832,1144 158.142,1145 49.215,1146 5.696,1147 6.686,1148 6.862,1149 5.441,1150 5.4,1151 7.71,1152 3.306,1153 19.922,1154 5.1,1155 18.702,1156 1.52,1157 1.573,1158 1.568,1159 1.512,1160 1.513,1161 2.095,1162 0.167,1163 4.518,1164 1.406,1165 4.119,1166 4.122,1167 4.738,1168 4.097,1169 7.717,1170 4.049,1171 4.04,1172 4.029,1173 4.323,1174 4.034,1175 7.43,1176 3.959,1177 3.823,1178 3.851,1179 3.971,1180 3.744,1181 6.999,1182 3.737,1183 3.622,1184 3.628,1185 3.719,1186 3.525,1187 5.056,1188 3.46,1189 3.558,1190 3.571,1191 3.573,1192 3.36,1193 4.938,1194 3.367,1195 3.242,1196 3.284,1197 3.402,1198 3.171,1199 4.847,1200 3.131,1201 3.187,1202 3.248,1203 3.182,1204 2.914,1205 4.413,1206 2.91,1207 2.918,1208 2.957,1209 3.003,1210 2.854,1211 4.329,1212 2.822,1213 0.139,1214 0.134,1215 0.209,1216 0.123,1217 0.097,1218 4.86,1219 0.135,1220 4.686,1221 0.054,1222 7.312,1223 0.358,1224 4.319,1225 0.089,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.1,1231 1.99,1232 1.987,1233 2.028,1234 2.063,1235 1.199,1236 2.084,1237 1.936,1238 1.934,1239 1.97,1240 2,1241 1.15,1242 2.018,1243 1.717,1244 1.695,1245 1.768,1246 1.835,1247 0.89,1248 1.831,1249 1.525,1250 1.482,1251 1.725,1252 1.773,1253 0.738,1254 1.762,1255 1.416,1256 1.451,1257 1.568,1258 1.606,1259 0.608,1260 1.628,1261 1.196,1262 1.168,1263 1.257,1264 1.434,1265 0.502,1266 1.468,1267 1.146,1268 1.07,1269 1.181,1270 1.347,1271 0.431,1272 1.379,1273 0.937,1274 0.93,1275 1.164,1276 1.062,1277 0.218,1278 1.107,1279 4.263,1281 5.617,1282 2.398,1283 7.152,1284 4.727,1285 8.768,1286 6.823,1287 10.427,1289 2.925,1290 6.165,1296 5.166,1297 5.064,1305 34.834,1306 95.395,1307 199.082,1308 235.611,1309 255.611,1310 255.611,1311 255.611,1312 69.561,1313 7.981,1314 110.28,1315 146.9,1316 23,1317 12.752,1318 4.7,1319 3.907,1320 51.986,1321 146,1322 158,1323 0.174,1324 224.192,1325 381.17,1326 538.787,1327 34249,1328 2,1329 22.88,1330 0.715,1331 0.603,1332 23.984,1333 19.307,1334 15.246,1335 0.436,1336 0.341,1337 9.345,1338 13.163,1339 8.847,1340 7.344,1341 16.764,1342 11.937,1343 14.689,1344 0.288,1345 0.192,1346 17.029,1347 9.797,1348 11.645,1349 0.179,1350 0.109,1351 13.85,1352 7.074,1353 9.561,1354 0.114,1355 0.061,1356 11.78,1357 5.159,1358 7.662,1359 0.072,1360 0.034,1361 9.788,1362 3.596,1363 0.277,1364 111.291,1365 0.21,1366 30.065,1367 0.468,1368 172,1369 592.822,1370 268.79,1371 640.429,1372 853.09,1373 590,1374 202,1375 556.426,1376 296.932,1377 626.389,1378 912.56,1379 584,1380 9}
{0 CHEMBL1773605,1 1.941,2 12.233,3 3.777,4 14.269,5 119.18,6 10.2,7 0.667,8 3.941,9 4.014,10 3.931,11 3.637,12 5.127,13 3.586,14 4.43,15 4.528,16 4.298,17 4.006,18 5.88,19 3.949,20 4.632,21 4.762,22 4.317,23 4.11,24 5.936,25 4.021,26 4.662,27 4.808,28 4.342,29 4.071,30 5.983,31 3.971,32 4.596,33 4.741,34 4.24,35 3.967,36 6.05,37 3.907,38 4.471,39 4.613,40 4.141,41 3.951,42 5.746,43 3.868,44 4.49,45 4.633,46 4.111,47 3.909,48 5.812,49 3.818,50 4.406,51 4.57,52 4.057,53 3.806,54 5.668,55 3.682,56 0.143,57 0.677,58 6.279,59 4.061,60 17.765,61 3.627,62 0.446,63 1.08,64 11.705,65 6.645,66 52.572,67 6.659,68 0.507,69 1.285,70 20.147,71 9.37,72 57.275,73 8.257,74 0.574,75 1.295,76 30.971,77 10.522,78 66.167,79 9.412,80 0.722,81 1.207,82 24.302,83 9.043,84 93.981,85 7.635,86 0.349,87 1.065,88 17.128,89 7.84,90 34.184,91 7.778,92 0.479,93 1.041,94 22.192,95 8.034,96 52.325,97 7.674,98 0.482,99 0.958,100 27.504,101 8.447,102 58.764,103 7.758,104 28,105 48,106 0.326,107 0.644,108 0.765,109 0.857,110 0.867,111 0.867,112 3.44,113 1.038,114 -3.64,115 -3.61,116 -3.44,119 44.4,120 1,142 9,143 2,144 2,145 1,146 1,147 1,152 1,158 1,162 1,172 9,174 1,175 5,178 4,180 3,183 10,187 8,190 1,192 4,195 9,198 1,199 11,204 5,207 5,211 2,212 8,217 5,220 4,224 8,229 2,232 10,236 1,237 8,242 2,245 10,250 4,253 2,258 10,263 4,267 1,271 8,275 1490,276 19.781,277 19.781,278 19.781,279 19.781,280 19.781,281 16.737,282 12.811,283 11.52,284 20.397,285 16.326,286 16.326,287 16.326,288 16.326,289 16.326,290 11.685,291 12.774,292 5.525,293 17.46,294 3.551,295 1.656,296 0.934,297 0.389,298 0.328,299 0.328,300 4.132,302 1,304 1,305 1,306 790,307 3.873,310 72.9,311 284.574,314 127.228,318 1.916,319 40.374,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 65.333,331 367,332 4.858,333 4.686,334 7.311,335 4.317,336 3.398,337 4.707,338 1.907,339 12.526,340 3.098,341 4.518,342 3.536,343 6.354,344 4.015,345 3.068,346 4.454,347 0.149,348 9.826,349 2.93,350 4.261,351 3.188,352 6.155,353 3.784,354 2.859,355 3.938,357 9.117,358 2.631,359 3.876,360 3.024,361 5.877,362 3.455,363 2.53,364 3.335,366 8.088,367 2.317,368 3.625,369 2.657,370 5.255,371 3.26,372 2.283,373 3.044,375 6.596,376 2.214,377 3.544,378 2.12,379 4.915,380 3.01,381 2.02,382 2.884,384 5.357,385 1.993,386 3.201,387 2.083,388 4.489,389 2.695,390 1.749,391 2.414,393 4.489,394 1.613,395 3.024,396 1.793,397 4.386,398 2.456,399 1.526,400 2.281,402 4.383,403 1.402,404 2.864,405 1.53,406 4.276,407 2.369,408 1.453,409 2.015,411 3.868,412 1.336,413 2.83,414 1.453,415 4.166,416 2.317,417 1.373,418 1.962,420 3.74,421 1.229,422 2.687,423 1.254,424 3.62,425 2.156,426 1.169,427 1.749,428 2.73,429 1.145,430 2.5,431 1,432 3.247,433 2,434 1,435 1.5,436 2.136,437 1,438 1.918,439 0.661,440 3.169,441 1.34,442 0.441,443 0.643,445 1.134,446 0.385,447 1.487,448 0.58,449 3.115,450 1.045,451 0.188,452 0.235,454 0.475,455 0.144,456 1.105,457 0.392,458 2.751,459 0.695,460 -0.227,461 -0.274,463 -0.631,464 -0.206,465 14.981,466 0.499,467 0.943,468 0.031,469 44.75,470 1.492,471 25.5,472 0.85,473 19.25,474 0.642,475 22.485,476 0.75,477 30.619,478 0.68,479 34.309,480 1.144,481 8.533,482 0.284,483 5.781,484 0.193,485 0.148,486 0.056,487 0.3,493 0.563,494 1.153,495 0.677,496 0.972,497 0.641,498 0.763,499 0.474,500 1.068,501 0.724,502 0.928,503 0.527,504 0.858,505 1.107,506 1.052,507 1.05,508 1.025,509 1.077,510 0.992,511 1.143,512 1.12,513 1.156,514 1.152,515 1.11,516 1.044,517 1.203,518 0.927,519 1.069,520 0.959,521 1.216,522 0.878,523 0.922,524 1.109,525 0.962,526 0.996,527 0.774,528 0.984,529 1.259,530 1.025,531 1.314,532 1.036,533 1.075,534 1.069,535 1.184,536 0.857,537 1.081,538 0.902,539 1.144,540 1.026,541 8,542 0.201,543 3.778,544 2.479,545 1.756,546 1.337,547 0.761,548 0.53,549 0.361,550 0.237,551 11998,552 43039,553 2.059,554 33.3,556 9,558 1,559 2,560 3,564 1.728,565 1.905,566 3.58,567 0.309,569 1,573 87.337,574 1.941,575 3.836,576 4.558,577 5.103,578 5.164,579 5.164,580 3.086,581 4.215,582 4.876,583 3.734,584 1624.12,585 8.505,586 22537.2,591 247.133,592 1.615,593 4.82,594 0.242,595 0.008,596 0.079,597 0.053,598 0.04,599 0.031,600 0.019,601 0.014,602 0.012,603 0.008,604 0.507,605 0.33,606 1,607 0.922,608 154.598,609 0.023,610 -0.084,611 0.101,612 -0.039,613 -0.145,614 0.042,615 0.315,616 -0.022,617 0.072,618 -0.016,619 0.224,620 -0.019,621 -0.168,622 -0.025,623 -0.105,624 -0.02,625 -0.121,626 -0.07,627 -0.12,628 -0.117,629 -0.046,630 -0.08,631 -0.077,632 -0.057,633 -0.039,634 0.102,635 -0.071,636 0.032,637 -0.009,638 0.053,639 -0.101,640 -0.14,641 -0.029,642 -0.055,643 -0.011,644 -0.03,645 -0.222,646 -0.075,647 -0.188,648 -0.089,649 -0.123,650 -0.11,651 -0.148,652 0.081,653 0.036,654 0.088,655 -0.15,656 -0.012,657 4.717,658 5.629,659 0.7,660 30.444,661 1.026,662 1.109,663 2.41,664 5.807,665 0.758,666 3.526,667 3.892,668 4.127,669 4.394,670 4.625,671 4.71,672 4.868,673 4.97,674 5.081,675 5.193,676 7.084,677 0.724,678 458.98,679 3.526,680 5.094,681 5.943,682 6.838,683 7.708,684 8.606,685 9.485,686 10.383,687 11.267,688 12.166,689 8.9,694 1,696 1,699 2,703 2,704 10,705 2,708 1,709 6,711 22,730 1,731 45,733 25,734 2,735 33,737 48,738 20,739 18,740 4,741 8,746 4,747 5,748 1,752 1,761 19,762 1,766 3,769 1,771 3,775 1,778 1,781 15,782 7,783 2,784 10,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 1,848 30,852 1,855 2,863 1,869 1,870 6.7,873 3,877 15.75,878 8.46,879 6.375,880 2.447,881 4.158,882 1.532,883 1.028,884 5.738,885 11.974,886 3.871,887 4.557,888 5.108,889 5.73,890 6.288,891 6.624,892 7.117,893 7.534,894 7.89,895 8.325,896 1,897 47,898 11.317,900 5.174,901 8.029,902 20.579,904 17.075,905 2.529,906 75.861,909 1,910 153.024,911 162.09,912 67.987,913 39.149,914 69.458,916 37.085,917 125.005,918 261.631,919 67.987,920 8.825,921 18.011,922 91.094,923 135.91,924 22.371,925 42.966,926 172.531,928 153.024,929 192.991,930 69.458,931 76.234,933 153.024,934 69.458,937 38.528,938 104.487,939 55.783,940 70.426,941 153.024,942 137.445,943 201.238,945 5.807,946 153.024,947 53.123,948 103.159,949 34.416,950 142.178,951 153.024,952 137.445,953 201.238,955 0.594,956 0.331,957 0.176,958 0.099,959 24,960 11,961 0.104,962 5,963 1,964 1.095,965 4.095,966 270.176,967 0.095,968 21,969 141.207,970 1,973 1,974 20.729,975 8.304,976 4.642,977 1.622,978 137.445,979 16.797,980 8.487,983 1.348,984 2.362,986 34.416,987 491.707,988 47,991 -3.8,993 36.5,997 -0.188,999 46.167,1000 49.897,1001 0.353,1002 0.699,1003 0.83,1004 0.929,1005 0.94,1006 0.94,1007 5.115,1008 1.526,1009 5.974,1010 4.489,1011 4.575,1012 5.244,1013 1.953,1014 6.828,1015 4.446,1016 6.381,1017 1.453,1018 7.567,1019 4.383,1020 4.369,1021 5.33,1022 1.593,1023 7.984,1024 4.141,1025 7.739,1026 1.373,1027 9.269,1028 3.868,1029 6.256,1030 7.599,1031 2.904,1032 11.02,1033 5.989,1034 9.137,1035 1.169,1036 11.04,1037 3.74,1038 6.836,1039 8.48,1040 3.032,1041 13.008,1042 6.45,1043 10.568,1044 1,1045 12.855,1046 2.73,1047 8.263,1048 10.283,1049 4.037,1050 15.642,1051 7.84,1052 12.024,1053 0.441,1054 14.703,1055 2.136,1056 9.186,1057 11.517,1058 4.409,1059 17.951,1060 8.643,1061 13.5,1062 0.188,1063 16.575,1064 1.134,1065 10.449,1066 13.146,1067 5.25,1068 20.479,1069 9.856,1070 3.398,1071 -0.227,1072 18.467,1073 0.475,1074 11.522,1075 14.539,1076 5.75,1077 22.912,1078 10.818,1079 3.068,1080 12.526,1081 20.374,1082 -0.631,1083 12.73,1084 16.102,1085 6.501,1086 25.421,1087 11.96,1088 2.859,1089 9.826,1090 22.294,1091 4.707,1092 13.87,1093 17.567,1094 7.068,1095 27.905,1096 12.998,1097 2.53,1098 9.117,1099 24.224,1100 4.454,1101 15.062,1102 19.104,1103 7.771,1104 30.415,1105 14.114,1106 2.283,1107 8.088,1108 26.163,1109 3.938,1110 16.233,1111 20.603,1112 8.374,1113 32.921,1114 15.188,1115 2.02,1116 6.596,1117 28.109,1118 3.335,1119 17.426,1120 22.132,1121 9.051,1122 35.437,1123 16.297,1124 1.749,1125 5.357,1126 30.061,1127 3.044,1128 18.613,1129 23.647,1130 9.674,1131 37.952,1132 17.389,1133 11483,1134 21940,1135 21.671,1136 34.108,1137 50.506,1138 51.923,1139 51.21,1140 50.135,1141 50.116,1142 70.322,1143 4.112,1144 148.932,1145 46.872,1146 5.69,1147 6.686,1148 7.113,1149 5.438,1150 5.398,1151 7.707,1152 3.306,1153 19.914,1154 5.098,1155 16.158,1156 1.53,1157 1.573,1158 1.552,1159 1.519,1160 1.519,1161 2.131,1162 0.125,1163 4.513,1164 1.42,1165 4.117,1166 4.122,1167 4.737,1168 4.097,1169 7.717,1170 4.048,1171 4.038,1172 4.028,1173 4.323,1174 4.034,1175 7.43,1176 3.956,1177 3.819,1178 3.849,1179 3.971,1180 3.744,1181 6.999,1182 3.736,1183 3.6,1184 3.625,1185 3.672,1186 3.518,1187 5.056,1188 3.445,1189 3.551,1190 3.553,1191 3.573,1192 3.36,1193 4.938,1194 3.364,1195 3.237,1196 3.268,1197 3.402,1198 3.17,1199 4.715,1200 3.129,1201 2.92,1202 2.96,1203 3.181,1204 2.859,1205 4.413,1206 2.827,1207 2.854,1208 2.925,1209 2.818,1210 2.735,1211 4.169,1212 2.715,1213 0.147,1214 0.142,1215 0.222,1216 0.131,1217 0.103,1218 4.858,1219 0.143,1220 4.686,1221 0.058,1222 7.311,1223 0.38,1224 4.317,1225 0.094,1226 3.398,1227 4.707,1228 1.907,1229 12.526,1230 3.098,1231 1.991,1232 1.987,1233 2.029,1234 2.063,1235 1.199,1236 2.086,1237 1.939,1238 1.934,1239 1.994,1240 1.996,1241 1.149,1242 2.019,1243 1.718,1244 1.694,1245 1.768,1246 1.832,1247 0.89,1248 1.83,1249 1.525,1250 1.482,1251 1.726,1252 1.772,1253 0.738,1254 1.762,1255 1.404,1256 1.437,1257 1.262,1258 1.553,1259 0.562,1260 1.593,1261 1.195,1262 1.168,1263 1.197,1264 1.348,1265 0.431,1266 1.38,1267 0.945,1268 0.937,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.074,1276 1.029,1277 0.193,1278 1.047,1279 4.205,1281 5.557,1282 2.398,1283 7.091,1284 4.727,1285 8.707,1286 6.823,1287 10.366,1289 1.425,1290 6.138,1296 5.17,1305 32.593,1306 87.337,1307 172.63,1308 205.094,1309 229.624,1310 232.379,1311 232.379,1312 62.125,1313 7.816,1314 101.05,1315 137.67,1316 23,1317 12.691,1318 4.7,1319 3.907,1320 47.107,1321 127,1322 130,1323 0.181,1324 210.603,1325 355.08,1326 505.631,1327 27529,1328 2.2,1329 21.303,1330 0.71,1331 0.599,1332 22.406,1333 17.976,1334 14.315,1335 0.434,1336 0.346,1337 8.864,1338 12.388,1339 8.411,1340 6.969,1341 15.833,1342 11.414,1343 13.898,1344 0.29,1345 0.197,1346 16.238,1347 9.435,1348 10.826,1349 0.177,1350 0.111,1351 13.031,1352 6.758,1353 9.093,1354 0.114,1355 0.063,1356 11.331,1357 5.025,1358 7.382,1359 0.073,1360 0.035,1361 9.513,1362 3.491,1363 0.285,1364 104.585,1365 0.215,1366 28.386,1367 0.491,1368 162,1369 537.087,1370 255.911,1371 594.128,1372 792.74,1373 546,1374 190,1375 515.881,1376 282.274,1377 585.851,1378 855.06,1379 548,1380 8.854}
{0 CHEMBL1773606,1 2.146,2 12.647,3 4.72,4 22.276,5 125.154,6 10.979,7 0.595,8 4.024,9 4.091,10 4.037,11 3.677,12 5.285,13 3.658,14 4.551,15 4.645,16 4.473,17 4.051,18 6.378,19 4.035,20 4.715,21 4.831,22 4.486,23 4.18,24 6.134,25 4.13,26 4.819,27 4.943,28 4.644,29 4.167,30 6.296,31 4.135,32 4.856,33 4.99,34 4.545,35 4.044,36 6.82,37 4.062,38 4.607,39 4.756,40 4.252,41 4.006,42 5.988,43 3.956,44 4.586,45 4.711,46 4.321,47 3.984,48 6.048,49 3.945,50 4.616,51 4.768,52 4.434,53 3.898,54 6.26,55 3.855,56 0.301,57 0.949,58 4.313,59 4.521,60 54.421,61 3.46,62 1.118,63 1.871,64 10.233,65 7.648,66 182.349,67 6.409,68 0.894,69 1.68,70 15.493,71 9.953,72 130.113,73 7.9,74 1.089,75 2,76 32.263,77 12.63,78 180.242,79 9.409,80 2.034,81 1.935,82 26.739,83 11.034,84 340.209,85 7.606,86 0.94,87 1.458,88 18.277,89 9.132,90 139.756,91 7.824,92 0.845,93 1.378,94 18.127,95 8.619,96 115.754,97 7.438,98 1.296,99 1.42,100 32.365,101 9.993,102 177.642,103 7.864,104 70,105 56,106 0.356,107 0.685,108 0.798,109 0.881,110 0.888,111 0.888,112 3.561,113 0.985,114 -4.18,115 -4.12,116 -3.9,119 43.8,120 1,132 1,142 8,143 3,144 2,145 1,146 1,147 1,152 1,158 1,162 1,172 9,174 1,175 5,178 4,180 3,183 10,187 8,190 1,192 4,195 9,198 1,199 11,204 5,207 5,211 2,212 8,217 5,220 4,224 8,229 2,232 10,236 1,237 8,242 2,245 10,250 4,253 2,258 10,263 4,267 1,271 8,275 2062,276 21.753,277 21.753,278 21.753,279 21.753,280 21.753,281 18.747,282 15.995,283 12.387,284 22.609,285 18.291,286 18.291,287 18.291,288 18.291,289 18.291,290 13.624,291 15.737,292 5.919,293 19.893,294 3.439,295 1.459,296 0.781,297 0.281,298 0.24,299 0.24,300 4.246,302 1,305 1,306 912,307 4.637,310 84.206,311 326.289,314 146.309,318 2.08,319 72.268,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 77.833,331 430,332 4.925,333 4.753,334 7.549,335 4.448,336 3.543,337 4.762,338 3.825,339 13.447,340 3.196,341 4.519,342 4.395,343 6.993,344 4.055,345 3.17,346 4.454,347 1.907,348 11.302,349 2.943,350 4.372,351 3.536,352 6.354,353 3.993,354 3.063,355 3.949,356 0.149,357 9.825,358 2.753,359 4.242,360 3.188,361 6.155,362 3.772,363 2.85,364 3.696,366 9.114,367 2.611,368 3.871,369 3.024,370 5.879,371 3.446,372 2.526,373 3.325,375 8.093,376 2.299,377 3.623,378 2.657,379 5.255,380 3.258,381 2.283,382 2.885,384 6.597,385 2.199,386 3.438,387 2.235,388 5.207,389 2.961,390 2.017,391 2.714,393 6.01,394 1.86,395 3.201,396 2.114,397 4.489,398 2.695,399 1.749,400 2.414,402 4.49,403 1.613,404 3.024,405 1.832,406 4.386,407 2.456,408 1.526,409 2.281,411 4.383,412 1.402,413 2.864,414 1.531,415 4.293,416 2.369,417 1.454,418 2.015,420 3.88,421 1.336,422 2.83,423 1.453,424 4.255,425 2.317,426 1.373,427 1.962,428 3.781,429 1.231,430 2.697,431 1.346,432 4.012,433 2.184,434 1.214,435 1.763,436 2.92,437 1.159,438 2.576,439 1.227,440 3.615,441 2.094,442 1.114,443 1.606,445 2.8,446 1.08,447 1.918,448 0.665,449 3.181,450 1.34,451 0.442,452 0.643,454 1.134,455 0.385,456 1.487,457 0.581,458 3.168,459 1.048,460 0.191,461 0.238,463 0.482,464 0.146,465 16.338,466 0.481,467 1.321,468 0.039,469 47.5,470 1.397,471 25.5,472 0.75,473 22,474 0.647,475 28.586,476 0.841,477 36.462,478 0.76,479 42.465,480 1.249,481 9.228,482 0.271,483 6.708,484 0.197,485 0.188,486 0.082,487 0.306,490 3,493 0.563,494 0.948,495 0.658,496 0.976,497 0.634,498 0.77,499 0.406,500 0.753,501 0.683,502 0.874,503 0.426,504 0.833,505 0.84,506 0.888,507 0.987,508 0.994,509 0.808,510 0.994,511 1.037,512 1.201,513 1.146,514 1.334,515 1.062,516 1.108,517 1.08,518 0.899,519 1.074,520 0.865,521 1.078,522 0.88,523 0.994,524 0.892,525 1.038,526 0.909,527 0.902,528 0.979,529 0.941,530 0.966,531 1.217,532 1.045,533 0.831,534 1.084,535 1.01,536 0.829,537 1.106,538 0.919,539 1.037,540 0.989,541 10.5,542 0.275,543 4.889,544 3.542,545 2.644,546 1.636,547 0.965,548 0.741,549 0.526,550 0.384,551 16046,552 69667,553 1.994,554 29.2,556 8,558 1,559 2,560 3,564 1.76,565 1.805,566 3.6,567 0.323,573 103.027,574 2.146,575 4.126,576 4.804,577 5.304,578 5.345,579 5.345,580 3.069,581 4.558,582 5.059,583 3.814,584 2139.89,585 8.874,586 32380,591 268.078,592 1.778,593 4.972,594 0.284,595 0.009,596 0.087,597 0.063,598 0.046,599 0.029,600 0.021,601 0.016,602 0.013,603 0.011,604 0.579,605 0.33,606 0.88,607 1.031,608 181.876,609 -0.015,610 -0.058,611 0.075,612 -0.032,613 -0.117,614 0.042,615 0.412,616 0.251,617 0.093,618 0.056,619 0.379,620 0.004,621 -0.126,622 -0.074,623 -0.08,624 -0.009,625 -0.085,626 -0.056,627 -0.125,628 -0.248,629 -0.01,630 -0.216,631 -0.137,632 -0.11,633 0.17,634 0.209,635 -0.11,636 0.115,637 0.229,638 0.022,639 -0.178,640 0.003,641 -0.094,642 0.04,643 -0.119,644 0.023,645 -0.155,646 -0.181,647 -0.142,648 -0.12,649 -0.088,650 -0.116,651 0.053,652 0.147,653 0.119,654 0.072,655 -0.029,656 0.028,657 6.116,658 5.796,659 0.618,660 35.429,661 1.054,662 1.132,663 2.949,664 8.699,665 0.743,666 3.638,667 4.043,668 4.263,669 4.554,670 4.787,671 4.82,672 4.984,673 5.088,674 5.215,675 5.308,676 7.552,677 0.735,678 526.98,679 3.638,680 5.231,681 6.084,682 7.002,683 7.88,684 8.795,685 9.683,686 10.595,687 11.489,688 12.399,689 8.3,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 1,731 48,733 25,734 2,735 37,737 51,738 21,739 18,740 5,741 7,746 4,747 5,748 1,752 2,757 1,761 19,762 2,766 3,769 1,771 3,775 1,779 3,781 14,782 10,783 2,784 13,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 1,846 3,848 34,852 1,855 2,860 1,863 1,869 4,870 6.3,873 3,877 18.833,878 9.055,879 7.069,880 2.568,881 4.368,882 1.538,883 1.022,884 6.559,885 12.492,886 3.951,887 4.647,888 5.195,889 5.829,890 6.384,891 6.694,892 7.176,893 7.587,894 7.958,895 8.365,896 1,897 56,898 13.894,900 7.37,901 8.464,902 22.602,904 18.816,905 2.964,906 100.778,910 141.253,911 163.559,912 67.987,913 39.149,914 69.458,915 44.88,916 37.085,917 126.473,918 249.86,919 112.867,920 8.825,921 18.011,922 81.617,923 135.91,924 70.437,925 42.966,926 160.76,927 7.76,928 141.253,929 194.46,930 114.338,931 76.234,933 141.253,934 114.338,937 46.288,938 98.196,939 55.783,940 70.426,941 186.134,942 137.445,943 202.707,945 5.807,946 149.013,947 56.309,948 93.683,949 34.416,950 187.058,951 141.253,952 182.325,953 202.707,955 0.606,956 0.332,957 0.178,958 0.104,959 28,960 14,961 0.098,962 5,963 1,964 1.095,965 4.259,966 326.137,967 0.095,968 21,969 166.219,970 1,973 1,974 24.399,975 9.14,976 5.353,977 1.39,978 182.325,979 11.808,980 8.272,983 1.245,984 -1.129,986 34.416,987 526.285,988 51,991 -4.634,993 36.849,997 -0.259,999 50.589,1000 54.331,1001 0.384,1002 0.739,1003 0.86,1004 0.95,1005 0.957,1006 0.957,1007 5.228,1008 1.749,1009 6.159,1010 6.01,1011 4.727,1012 5.335,1013 3.292,1014 7.064,1015 4.569,1016 6.515,1017 1.526,1018 7.79,1019 4.49,1020 4.691,1021 5.497,1022 3.979,1023 8.38,1024 4.379,1025 7.891,1026 1.454,1027 9.535,1028 4.383,1029 6.488,1030 7.695,1031 5.494,1032 11.411,1033 6.158,1034 9.304,1035 1.373,1036 11.347,1037 3.88,1038 7.194,1039 8.613,1040 6.714,1041 13.503,1042 6.699,1043 10.748,1044 1.214,1045 13.204,1046 3.781,1047 8.584,1048 10.383,1049 8.075,1050 16.18,1051 8.056,1052 12.214,1053 1.114,1054 15.091,1055 2.92,1056 9.59,1057 11.634,1058 9.395,1059 18.561,1060 8.913,1061 13.699,1062 0.442,1063 17.001,1064 2.8,1065 10.852,1066 13.249,1067 10.738,1068 21.15,1069 10.116,1070 3.543,1071 0.191,1072 18.928,1073 1.134,1074 11.982,1075 14.651,1076 12.076,1077 23.645,1078 11.116,1079 3.17,1080 13.447,1081 20.869,1082 0.482,1083 13.207,1084 16.208,1085 13.417,1086 26.217,1087 12.262,1088 3.063,1089 11.302,1090 22.822,1091 4.762,1092 14.391,1093 17.68,1094 14.758,1095 28.762,1096 13.329,1097 2.85,1098 9.825,1099 24.783,1100 4.454,1101 15.611,1102 19.219,1103 16.1,1104 31.336,1105 14.458,1106 2.526,1107 9.114,1108 26.752,1109 3.949,1110 16.821,1111 20.724,1112 17.441,1113 33.904,1114 15.558,1115 2.283,1116 8.093,1117 28.727,1118 3.696,1119 18.047,1120 22.259,1121 18.783,1122 36.484,1123 16.686,1124 2.017,1125 6.597,1126 30.707,1127 3.325,1128 19.271,1129 23.782,1130 20.124,1131 39.064,1132 17.803,1133 15548,1134 32643,1135 23.463,1136 35.682,1137 57.823,1138 58.298,1139 58.77,1140 57.221,1141 57.027,1142 77.415,1143 11.763,1144 176.515,1145 52.423,1146 5.776,1147 6.753,1148 7.224,1149 5.569,1150 5.543,1151 7.762,1152 5.335,1153 21.732,1154 5.196,1155 22.102,1156 1.563,1157 1.576,1158 1.588,1159 1.547,1160 1.541,1161 2.092,1162 0.318,1163 4.771,1164 1.417,1165 4.126,1166 4.127,1167 4.74,1168 4.104,1169 8.513,1170 4.053,1171 4.048,1172 4.043,1173 4.323,1174 4.041,1175 7.999,1176 3.975,1177 3.83,1178 3.859,1179 3.972,1180 3.749,1181 7.999,1182 3.742,1183 3.62,1184 3.629,1185 3.768,1186 3.533,1187 7.717,1188 3.457,1189 3.556,1190 3.565,1191 3.573,1192 3.36,1193 7.43,1194 3.365,1195 3.315,1196 3.362,1197 3.402,1198 3.17,1199 6.999,1200 3.129,1201 3.237,1202 3.268,1203 3.316,1204 3.011,1205 5.056,1206 3.065,1207 2.92,1208 2.96,1209 3.181,1210 2.859,1211 4.938,1212 2.827,1213 0.133,1214 0.128,1215 0.204,1216 0.12,1217 0.096,1218 4.925,1219 0.129,1220 4.753,1221 0.103,1222 7.549,1223 0.363,1224 4.448,1225 0.086,1226 3.543,1227 4.762,1228 3.825,1229 13.447,1230 3.196,1231 1.995,1232 1.996,1233 2.029,1234 2.069,1235 1.211,1236 2.089,1237 1.948,1238 1.941,1239 1.985,1240 2.01,1241 1.171,1242 2.022,1243 1.72,1244 1.697,1245 1.768,1246 1.836,1247 0.892,1248 1.832,1249 1.525,1250 1.482,1251 1.726,1252 1.773,1253 0.738,1254 1.762,1255 1.405,1256 1.441,1257 1.262,1258 1.559,1259 0.563,1260 1.595,1261 1.195,1262 1.168,1263 1.211,1264 1.44,1265 0.431,1266 1.38,1267 1.096,1268 1.06,1269 1.194,1270 1.348,1271 0.266,1272 1.343,1273 0.944,1274 0.936,1275 1.074,1276 1.031,1277 0.194,1278 1.052,1279 4.317,1281 5.7,1282 2.398,1283 7.258,1284 4.727,1285 8.897,1286 6.823,1287 10.581,1289 1.368,1290 6.045,1291 39.971,1296 4.717,1301 -4.866,1305 35.269,1306 103.027,1307 198.039,1308 230.568,1309 254.568,1310 256.568,1311 256.568,1312 98.94,1313 8.124,1314 101.05,1315 137.67,1316 23,1317 12.917,1318 4.7,1319 3.907,1320 56.947,1321 154,1322 166,1323 0.18,1324 223.79,1325 390.59,1326 537.807,1327 41197,1328 8.3,1329 24.673,1330 0.726,1331 0.574,1332 23.277,1333 19.533,1334 15.937,1335 0.431,1336 0.328,1337 9.521,1338 13.729,1339 9.12,1340 7.489,1341 16.243,1342 12.148,1343 16.427,1344 0.293,1345 0.18,1346 16.753,1347 10.084,1348 11.997,1349 0.171,1350 0.103,1351 13.456,1352 7.229,1353 10.296,1354 0.11,1355 0.059,1356 12.082,1357 5.565,1358 8.573,1359 0.072,1360 0.032,1361 9.624,1362 3.836,1363 0.284,1364 116.567,1365 0.206,1366 31.314,1367 0.49,1368 186,1369 821.42,1370 296.928,1371 782.508,1372 1013.37,1373 716,1374 219,1375 650.881,1376 323.421,1377 701.526,1378 1047.38,1379 655,1380 9}
{0 CHEMBL1773728,1 2.146,2 13.206,3 4.72,4 22.276,5 125.154,6 10.979,7 0.595,8 4.024,9 4.091,10 4.037,11 3.677,12 5.284,13 3.658,14 4.551,15 4.645,16 4.473,17 4.051,18 6.378,19 4.035,20 4.715,21 4.831,22 4.459,23 4.168,24 6.163,25 4.119,26 4.812,27 4.958,28 4.506,29 4.145,30 6.269,31 4.09,32 4.723,33 4.852,34 4.509,35 4.041,36 6.257,37 4.031,38 4.685,39 4.813,40 4.412,41 4.001,42 6.596,43 3.98,44 4.582,45 4.725,46 4.219,47 3.959,48 5.981,49 3.901,50 4.51,51 4.652,52 4.277,53 3.89,54 5.937,55 3.827,56 0.301,57 0.949,58 4.313,59 4.521,60 54.31,61 3.46,62 1.118,63 1.871,64 10.233,65 7.648,66 182.515,67 6.409,68 0.889,69 1.673,70 16.182,71 10.01,72 121.362,73 7.896,74 1.24,75 1.821,76 30.528,77 11.955,78 189.163,79 9.431,80 1.113,81 1.719,82 26.286,83 10.829,84 183.212,85 7.723,86 1.521,87 1.587,88 18.07,89 9.218,90 259.725,91 7.604,92 0.937,93 1.301,94 21.875,95 8.831,96 134.522,97 7.613,98 0.823,99 1.274,100 24.028,101 8.999,102 120.448,103 7.588,104 70,105 56,106 0.356,107 0.685,108 0.805,109 0.888,110 0.888,111 0.888,112 3.561,113 0.984,114 -4.18,115 -4.12,116 -3.9,119 43.8,120 1,132 1,142 8,143 3,144 2,145 1,146 1,147 1,152 1,158 1,162 1,172 9,174 1,175 5,178 4,180 3,183 10,187 8,190 1,192 4,195 9,198 1,199 11,204 5,207 5,211 2,212 8,217 5,220 4,224 8,229 2,232 10,236 1,237 8,242 2,245 10,250 4,253 2,258 10,263 4,267 1,271 8,275 2118,276 21.701,277 21.701,278 21.701,279 21.701,280 21.701,281 18.723,282 17.265,283 12.285,284 22.568,285 18.283,286 18.283,287 18.283,288 18.283,289 18.283,290 13.634,291 17.634,292 5.872,293 19.899,294 3.439,295 1.459,296 0.74,297 0.24,298 0.24,299 0.24,300 4.246,302 1,305 1,306 954,307 4.637,310 85.762,311 331.304,314 149.142,318 2.112,319 70.172,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 77.833,331 449,332 4.868,333 4.69,334 7.326,335 4.345,336 3.432,337 4.716,338 3.825,339 12.582,340 3.118,341 4.519,342 4.455,343 7.099,344 4.133,345 3.272,346 4.454,347 1.907,348 11.63,349 2.936,350 4.413,351 3.536,352 6.354,353 4.013,354 3.068,355 3.942,356 0.149,357 9.826,358 2.82,359 4.257,360 3.188,361 6.155,362 3.782,363 2.857,364 3.738,366 9.117,367 2.627,368 3.874,369 3.024,370 5.877,371 3.452,372 2.528,373 3.329,375 8.09,376 2.309,377 3.624,378 2.657,379 5.255,380 3.259,381 2.283,382 2.886,384 6.596,385 2.206,386 3.454,387 2.232,388 5.01,389 2.964,390 2.017,391 2.755,393 5.785,394 1.871,395 3.201,396 2.114,397 4.489,398 2.695,399 1.749,400 2.414,402 4.49,403 1.612,404 3.024,405 1.883,406 4.479,407 2.456,408 1.526,409 2.281,411 4.383,412 1.402,413 2.865,414 1.536,415 4.386,416 2.378,417 1.47,418 2.014,420 4.082,421 1.338,422 2.831,423 1.489,424 4.274,425 2.32,426 1.373,427 1.963,428 3.849,429 1.239,430 2.722,431 1.394,432 4.128,433 2.213,434 1.26,435 1.788,436 3.563,437 1.172,438 2.563,439 1.148,440 3.499,441 2.074,442 1.086,443 1.59,445 2.496,446 1.066,447 1.918,448 0.662,449 3.194,450 1.34,451 0.441,452 0.643,454 1.134,455 0.385,456 1.487,457 0.58,458 3.168,459 1.045,460 0.188,461 0.235,463 0.476,464 0.144,465 16.338,466 0.481,467 1.338,468 0.039,469 47.5,470 1.397,471 25.5,472 0.75,473 22,474 0.647,475 28.237,476 0.83,477 36.462,478 0.76,479 41.998,480 1.235,481 9.212,482 0.271,483 6.707,484 0.197,485 0.188,486 0.082,487 0.306,490 3,493 0.563,494 0.948,495 0.658,496 0.976,497 0.634,498 0.77,499 0.406,500 0.753,501 0.683,502 0.874,503 0.426,504 0.833,505 0.843,506 0.912,507 1.036,508 1.055,509 0.786,510 1.054,511 1.129,512 0.999,513 1.17,514 1.066,515 1.087,516 1.052,517 0.991,518 1.004,519 1.085,520 1.162,521 1.057,522 0.956,523 0.713,524 0.806,525 0.948,526 0.87,527 0.661,528 0.964,529 0.997,530 0.8,531 1.331,532 0.976,533 0.887,534 1.076,535 0.922,536 0.906,537 0.986,538 0.925,539 0.884,540 1.035,541 11,542 0.321,543 4.889,544 3.042,545 2.244,546 1.969,547 0.843,548 0.687,549 0.53,550 0.371,551 16478,552 72371,553 1.994,554 29.2,556 8,558 1,559 2,560 3,564 1.76,565 1.805,566 3.681,567 0.323,573 103.027,574 2.146,575 4.126,576 4.845,577 5.345,578 5.345,579 5.345,580 3.125,581 4.653,582 5.057,583 3.869,584 2170.66,585 8.867,586 33208.6,591 268.078,592 1.778,593 4.972,594 0.297,595 0.01,596 0.087,597 0.055,598 0.043,599 0.038,600 0.017,601 0.016,602 0.013,603 0.01,604 0.587,605 0.33,606 0.88,607 1.031,608 182.73,609 -0.015,610 -0.058,611 0.075,612 -0.032,613 -0.118,614 0.042,615 0.412,616 0.251,617 0.093,618 0.056,619 0.38,620 0.004,621 -0.13,622 -0.098,623 -0.13,624 -0.071,625 -0.065,626 -0.118,627 -0.206,628 -0.07,629 -0.084,630 -0.01,631 -0.16,632 -0.031,633 -0.082,634 -0.111,635 -0.019,636 -0.106,637 -0.123,638 0.014,639 0.307,640 0.183,641 -0.027,642 0.07,643 0.373,644 -0.035,645 -0.199,646 -0.025,647 -0.217,648 -0.035,649 -0.136,650 -0.068,651 -0.109,652 -0.12,653 0.089,654 0.032,655 -0.096,656 -0.01,657 5.945,658 5.74,659 0.618,660 37.422,661 1.054,662 1.132,663 2.949,664 8.699,665 0.743,666 3.638,667 4.043,668 4.248,669 4.5,670 4.754,671 4.868,672 4.99,673 5.094,674 5.182,675 5.308,676 7.776,677 0.735,678 526.98,679 3.638,680 5.231,681 6.08,682 6.989,683 7.861,684 8.768,685 9.649,686 10.555,687 11.44,688 12.345,689 8.3,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 1,731 48,733 25,734 2,735 37,737 51,738 21,739 18,740 5,741 7,746 4,747 5,748 1,752 2,757 1,761 19,762 2,766 3,769 1,771 3,775 1,779 3,781 14,782 10,783 2,784 13,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 1,846 3,848 34,852 1,855 2,860 1,863 1,869 4,870 6.3,873 3,877 18.833,878 9.055,879 7.042,880 2.561,881 4.285,882 1.527,883 1.022,884 6.559,885 12.409,886 3.951,887 4.647,888 5.187,889 5.8,890 6.374,891 6.733,892 7.194,893 7.594,894 7.923,895 8.367,896 0.889,897 55,898 13.599,900 6.98,901 8.464,902 22.602,904 18.812,905 2.964,906 100.778,910 141.253,911 163.559,912 67.987,913 39.149,914 69.458,915 44.88,916 37.085,917 126.473,918 249.86,919 112.867,920 8.825,921 18.011,922 81.617,923 135.91,924 70.437,925 42.966,926 160.76,927 7.76,928 141.253,929 194.46,930 114.338,931 76.234,933 141.253,934 114.338,937 46.288,938 98.196,939 55.783,940 70.426,941 186.134,942 137.445,943 202.707,945 5.807,946 149.013,947 56.309,948 93.683,949 34.416,950 187.058,951 141.253,952 182.325,953 202.707,955 0.608,956 0.33,957 0.165,958 0.096,959 28,960 14,961 0.098,962 5,963 1,964 1.095,965 4.304,966 322.374,967 0.095,968 21,969 166.219,970 1,973 1,974 24.399,975 9.14,976 5.516,977 1.423,978 182.325,979 11.482,980 8.308,983 1.259,984 -0.337,986 34.416,987 526.285,988 51,991 -4.383,993 36.736,997 -0.251,999 50.589,1000 54.331,1001 0.384,1002 0.739,1003 0.868,1004 0.957,1005 0.957,1006 0.957,1007 5.228,1008 1.749,1009 6.155,1010 5.785,1011 4.727,1012 5.335,1013 3.292,1014 7.045,1015 4.569,1016 6.515,1017 1.526,1018 7.78,1019 4.49,1020 4.691,1021 5.497,1022 3.979,1023 8.337,1024 4.379,1025 7.89,1026 1.47,1027 9.517,1028 4.383,1029 6.482,1030 7.691,1031 5.494,1032 11.329,1033 6.152,1034 9.3,1035 1.373,1036 11.319,1037 4.082,1038 7.179,1039 8.6,1040 6.714,1041 13.383,1042 6.682,1043 10.74,1044 1.26,1045 13.164,1046 3.849,1047 8.562,1048 10.369,1049 8.075,1050 16.006,1051 8.034,1052 12.202,1053 1.086,1054 15.038,1055 3.563,1056 9.553,1057 11.608,1058 9.395,1059 18.337,1060 8.872,1061 13.68,1062 0.441,1063 16.933,1064 2.496,1065 10.803,1066 13.219,1067 10.738,1068 20.861,1069 10.066,1070 3.432,1071 0.188,1072 18.843,1073 1.134,1074 11.914,1075 14.609,1076 12.076,1077 23.295,1078 11.044,1079 3.272,1080 12.582,1081 20.766,1082 0.476,1083 13.122,1084 16.161,1085 13.417,1086 25.796,1087 12.176,1088 3.068,1089 11.63,1090 22.699,1091 4.716,1092 14.282,1093 17.622,1094 14.758,1095 28.272,1096 13.219,1097 2.857,1098 9.826,1099 24.639,1100 4.454,1101 15.48,1102 19.153,1103 16.1,1104 30.773,1105 14.329,1106 2.528,1107 9.117,1108 26.586,1109 3.942,1110 16.664,1111 20.648,1112 17.441,1113 33.267,1114 15.403,1115 2.283,1116 8.09,1117 28.538,1118 3.738,1119 17.862,1120 22.174,1121 18.783,1122 35.772,1123 16.508,1124 2.017,1125 6.596,1126 30.494,1127 3.329,1128 19.057,1129 23.687,1130 20.124,1131 38.277,1132 17.599,1133 15955,1134 33682,1135 23.463,1136 35.682,1137 57.887,1138 58.379,1139 58.573,1140 57.287,1141 57.102,1142 77.498,1143 11.763,1144 176.201,1145 52.487,1146 5.709,1147 6.69,1148 6.865,1149 5.466,1150 5.432,1151 7.716,1152 5.335,1153 20.124,1154 5.118,1155 22.34,1156 1.565,1157 1.578,1158 1.583,1159 1.548,1160 1.543,1161 2.095,1162 0.318,1163 4.762,1164 1.419,1165 4.123,1166 4.126,1167 4.738,1168 4.101,1169 8.513,1170 4.051,1171 4.045,1172 4.039,1173 4.323,1174 4.038,1175 7.999,1176 3.97,1177 3.833,1178 3.862,1179 3.971,1180 3.75,1181 7.999,1182 3.744,1183 3.65,1184 3.643,1185 3.792,1186 3.557,1187 7.717,1188 3.488,1189 3.561,1190 3.59,1191 3.573,1192 3.361,1193 7.43,1194 3.37,1195 3.268,1196 3.311,1197 3.402,1198 3.171,1199 6.999,1200 3.133,1201 3.229,1202 3.261,1203 3.274,1204 2.972,1205 5.056,1206 3.012,1207 2.919,1208 2.96,1209 3.181,1210 2.858,1211 4.938,1212 2.827,1213 0.132,1214 0.127,1215 0.198,1216 0.117,1217 0.093,1218 4.868,1219 0.127,1220 4.69,1221 0.103,1222 7.326,1223 0.34,1224 4.345,1225 0.084,1226 3.432,1227 4.716,1228 3.825,1229 12.582,1230 3.118,1231 1.994,1232 1.994,1233 2.029,1234 2.067,1235 1.206,1236 2.088,1237 1.947,1238 1.94,1239 1.984,1240 2.009,1241 1.167,1242 2.022,1243 1.721,1244 1.699,1245 1.768,1246 1.839,1247 0.895,1248 1.834,1249 1.525,1250 1.482,1251 1.726,1252 1.773,1253 0.738,1254 1.762,1255 1.428,1256 1.465,1257 1.262,1258 1.597,1259 0.582,1260 1.612,1261 1.195,1262 1.168,1263 1.21,1264 1.383,1265 0.432,1266 1.38,1267 1.064,1268 1.026,1269 1.194,1270 1.346,1271 0.261,1272 1.308,1273 0.943,1274 0.934,1275 1.074,1276 1.03,1277 0.194,1278 1.05,1279 4.317,1281 5.7,1282 2.398,1283 7.253,1284 4.727,1285 8.882,1286 6.823,1287 10.552,1289 1.374,1290 6.062,1291 38.976,1296 4.824,1301 -4.695,1305 35.269,1306 103.027,1307 198.039,1308 232.568,1309 256.568,1310 256.568,1311 256.568,1312 98.344,1313 8.124,1314 101.05,1315 137.67,1316 23,1317 12.868,1318 4.7,1319 3.907,1320 56.998,1321 158,1322 166,1323 0.175,1324 223.79,1325 390.59,1326 537.807,1327 41197,1328 8.3,1329 24.673,1330 0.726,1331 0.574,1332 23.277,1333 19.533,1334 15.92,1335 0.43,1336 0.328,1337 9.515,1338 13.697,1339 9.111,1340 7.481,1341 16.226,1342 12.142,1343 16.49,1344 0.294,1345 0.181,1346 16.872,1347 10.147,1348 12.119,1349 0.176,1350 0.104,1351 13.349,1352 7.158,1353 9.895,1354 0.111,1355 0.059,1356 11.605,1357 5.29,1358 8.192,1359 0.071,1360 0.033,1361 9.983,1362 3.786,1363 0.277,1364 116.466,1365 0.206,1366 31.472,1367 0.471,1368 186,1369 821.42,1370 296.928,1371 782.703,1372 1012.79,1373 716,1374 218,1375 649.881,1376 320.751,1377 700.807,1378 1043.96,1379 654,1380 9}
{0 CHEMBL1773729,1 2.146,2 13.765,3 4.72,4 22.276,5 125.154,6 10.979,7 0.595,8 4.024,9 4.091,10 4.037,11 3.677,12 5.284,13 3.658,14 4.551,15 4.645,16 4.473,17 4.051,18 6.378,19 4.035,20 4.715,21 4.831,22 4.459,23 4.168,24 6.163,25 4.119,26 4.812,27 4.958,28 4.48,29 4.133,30 6.294,31 4.079,32 4.716,33 4.869,34 4.349,35 4.017,36 6.228,37 3.981,38 4.526,39 4.647,40 4.37,41 3.998,42 5.823,43 3.946,44 4.662,45 4.784,46 4.384,47 3.954,48 6.592,49 3.926,50 4.506,51 4.667,52 4.171,53 3.862,54 5.861,55 3.776,56 0.301,57 0.949,58 4.313,59 4.521,60 54.31,61 3.46,62 1.118,63 1.871,64 10.233,65 7.648,66 182.404,67 6.409,68 0.889,69 1.673,70 16.182,71 10.01,72 121.528,73 7.896,74 1.235,75 1.813,76 31.218,77 12.013,78 180.412,79 9.427,80 1.264,81 1.54,82 24.551,83 10.154,84 192.133,85 7.745,86 0.601,87 1.371,88 17.616,89 9.013,90 102.729,91 7.721,92 1.519,93 1.43,94 21.667,95 8.917,96 254.492,97 7.393,98 0.915,99 1.197,100 27.777,101 9.21,102 139.216,103 7.763,104 70,105 56,106 0.356,107 0.685,108 0.791,109 0.86,110 0.86,111 0.86,112 3.56,113 0.984,114 -4.18,115 -4.12,116 -3.9,119 43.8,120 1,132 1,142 8,143 3,144 2,145 1,146 1,147 1,152 1,158 1,162 1,172 9,174 1,175 5,178 4,180 3,183 10,187 8,190 1,192 4,195 9,198 1,199 11,204 5,207 5,211 2,212 8,217 5,220 4,224 8,229 2,232 10,236 1,237 8,242 2,245 10,250 4,253 2,258 10,263 4,267 1,271 8,275 2174,276 21.701,277 21.701,278 21.701,279 21.701,280 21.701,281 18.723,282 17.265,283 12.237,284 22.568,285 18.266,286 18.266,287 18.266,288 18.266,289 18.266,290 13.628,291 16.928,292 5.831,293 19.887,294 3.439,295 1.459,296 0.823,297 0.406,298 0.406,299 0.406,300 4.246,302 1,305 1,306 996,307 4.637,310 87.48,311 337.132,314 152.29,318 2.235,319 68.764,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 77.833,331 468,332 4.862,333 4.687,334 7.313,335 4.328,336 3.412,337 4.711,338 3.825,339 12.531,340 3.107,341 4.519,342 4.459,343 7.108,344 4.15,345 3.293,346 4.454,347 1.907,348 11.65,349 2.934,350 4.42,351 3.536,352 6.354,353 4.014,354 3.068,355 3.94,356 0.149,357 9.826,358 2.835,359 4.259,360 3.188,361 6.155,362 3.783,363 2.858,364 3.747,366 9.117,367 2.629,368 3.874,369 3.024,370 5.877,371 3.453,372 2.529,373 3.33,375 8.089,376 2.311,377 3.624,378 2.657,379 5.255,380 3.259,381 2.283,382 2.887,384 6.596,385 2.208,386 3.46,387 2.231,388 4.966,389 2.965,390 2.017,391 2.771,393 5.641,394 1.875,395 3.201,396 2.115,397 4.553,398 2.695,399 1.749,400 2.414,402 4.491,403 1.612,404 3.024,405 1.903,406 4.489,407 2.456,408 1.526,409 2.281,411 4.383,412 1.402,413 2.867,414 1.544,415 4.386,416 2.389,417 1.485,418 2.014,420 4.311,421 1.339,422 2.832,423 1.507,424 4.274,425 2.324,426 1.373,427 1.963,428 3.856,429 1.252,430 2.752,431 1.403,432 4.14,433 2.241,434 1.298,435 1.821,436 3.635,437 1.185,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 1.918,448 0.669,449 3.243,450 1.34,451 0.442,452 0.643,454 1.134,455 0.385,456 1.487,457 0.582,458 3.168,459 1.048,460 0.191,461 0.238,463 0.483,464 0.146,465 16.338,466 0.481,467 1.338,468 0.039,469 47.5,470 1.397,471 25.5,472 0.75,473 22,474 0.647,475 27.97,476 0.823,477 36.462,478 0.76,479 41.637,480 1.225,481 9.212,482 0.271,483 6.707,484 0.197,485 0.188,486 0.082,487 0.306,490 3,493 0.563,494 0.948,495 0.658,496 0.976,497 0.634,498 0.77,499 0.406,500 0.753,501 0.683,502 0.874,503 0.426,504 0.833,505 0.843,506 0.912,507 1.036,508 1.055,509 0.785,510 1.054,511 1.132,512 1.021,513 1.215,514 1.122,515 1.066,516 1.108,517 1.093,518 0.779,519 1.111,520 0.865,521 1.084,522 0.894,523 0.57,524 0.918,525 0.948,526 1.217,527 0.593,528 1.062,529 0.706,530 0.714,531 1.228,532 0.933,533 0.638,534 1.058,535 0.982,536 0.728,537 1.108,538 0.851,539 0.944,540 1.026,541 11,542 0.313,543 5.111,544 3.042,545 2.049,546 1.691,547 1.127,548 0.617,549 0.501,550 0.398,551 16910,552 75075,553 1.994,554 29.2,556 8,558 1,559 2,560 3,564 1.758,565 1.805,566 3.724,567 0.323,573 103.027,574 2.146,575 4.126,576 4.762,577 5.179,578 5.179,579 5.179,580 3.206,581 4.536,582 5.055,583 3.922,584 2200.02,585 8.859,586 34025.7,591 268.078,592 1.778,593 4.972,594 0.297,595 0.009,596 0.091,597 0.055,598 0.04,599 0.036,600 0.024,601 0.013,602 0.014,603 0.011,604 0.591,605 0.33,606 0.88,607 1.031,608 183.54,609 -0.015,610 -0.058,611 0.075,612 -0.032,613 -0.118,614 0.042,615 0.412,616 0.251,617 0.093,618 0.056,619 0.379,620 0.004,621 -0.13,622 -0.098,623 -0.13,624 -0.071,625 -0.064,626 -0.118,627 -0.209,628 -0.092,629 -0.13,630 -0.067,631 -0.141,632 -0.088,633 -0.171,634 0.087,635 -0.101,636 0.122,637 -0.148,638 0.101,639 0.029,640 -0.191,641 0.088,642 -0.192,643 -0.022,644 -0.051,645 0.302,646 0.162,647 -0.144,648 -0.001,649 0.373,650 -0.126,651 -0.157,652 0.048,653 0.009,654 0.124,655 -0.147,656 0.042,657 5.834,658 5.708,659 0.618,660 39.927,661 1.054,662 1.132,663 2.949,664 8.699,665 0.743,666 3.638,667 4.043,668 4.248,669 4.489,670 4.718,671 4.875,672 5.05,673 5.037,674 5.187,675 5.318,676 8.014,677 0.735,678 526.98,679 3.638,680 5.231,681 6.08,682 6.987,683 7.857,684 8.763,685 9.641,686 10.545,687 11.428,688 12.331,689 8.3,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 1,731 48,733 25,734 2,735 37,737 51,738 21,739 18,740 5,741 7,746 4,747 5,748 1,752 2,757 1,761 19,762 2,766 3,769 1,771 3,775 1,779 3,781 14,782 10,783 2,784 13,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 1,846 3,848 34,852 1,855 2,860 1,863 1,869 4,870 6.3,873 3,877 18.833,878 9.055,879 7.042,880 2.561,881 4.258,882 1.524,883 1.022,884 6.559,885 12.382,886 3.951,887 4.647,888 5.187,889 5.794,890 6.354,891 6.748,892 7.234,893 7.555,894 7.927,895 8.369,896 1,897 55,898 13.455,900 6.793,901 8.464,902 22.602,904 18.812,905 2.964,906 100.778,910 141.253,911 163.559,912 67.987,913 39.149,914 69.458,915 44.88,916 37.085,917 126.473,918 249.86,919 112.867,920 8.825,921 18.011,922 81.617,923 135.91,924 70.437,925 42.966,926 160.76,927 7.76,928 141.253,929 194.46,930 114.338,931 76.234,933 141.253,934 114.338,937 46.288,938 98.196,939 55.783,940 70.426,941 186.134,942 137.445,943 202.707,945 5.807,946 149.013,947 56.309,948 93.683,949 34.416,950 187.058,951 141.253,952 182.325,953 202.707,955 0.609,956 0.331,957 0.163,958 0.09,959 28,960 14,961 0.098,962 5,963 1,964 1.095,965 4.34,966 319.676,967 0.095,968 21,969 159.464,970 1,973 1,974 24.399,975 9.14,976 5.516,977 1.45,978 182.325,979 11.308,980 8.335,983 1.271,984 0.162,986 34.416,987 526.285,988 51,991 -4.23,993 36.67,997 -0.244,999 50.589,1000 54.331,1001 0.384,1002 0.739,1003 0.853,1004 0.927,1005 0.927,1006 0.927,1007 5.228,1008 1.749,1009 6.155,1010 5.641,1011 4.727,1012 5.335,1013 3.292,1014 7.043,1015 4.569,1016 6.515,1017 1.526,1018 7.78,1019 4.491,1020 4.691,1021 5.497,1022 3.979,1023 8.337,1024 4.379,1025 7.89,1026 1.485,1027 9.517,1028 4.383,1029 6.482,1030 7.691,1031 5.494,1032 11.323,1033 6.152,1034 9.3,1035 1.373,1036 11.319,1037 4.311,1038 7.179,1039 8.6,1040 6.714,1041 13.379,1042 6.682,1043 10.74,1044 1.298,1045 13.163,1046 3.856,1047 8.561,1048 10.368,1049 8.075,1050 15.996,1051 8.033,1052 12.201,1053 1,1054 15.036,1055 3.635,1056 9.551,1057 11.606,1058 9.395,1059 18.327,1060 8.869,1061 13.679,1062 0.442,1063 16.93,1064 2.275,1065 10.8,1066 13.217,1067 10.738,1068 20.846,1069 10.062,1070 3.412,1071 0.191,1072 18.84,1073 1.134,1074 11.909,1075 14.605,1076 12.076,1077 23.279,1078 11.037,1079 3.293,1080 12.531,1081 20.763,1082 0.483,1083 13.116,1084 16.156,1085 13.417,1086 25.776,1087 12.167,1088 3.068,1089 11.65,1090 22.695,1091 4.711,1092 14.274,1093 17.616,1094 14.758,1095 28.249,1096 13.207,1097 2.858,1098 9.826,1099 24.634,1100 4.454,1101 15.47,1102 19.146,1103 16.1,1104 30.746,1105 14.315,1106 2.529,1107 9.117,1108 26.58,1109 3.94,1110 16.65,1111 20.64,1112 17.441,1113 33.237,1114 15.386,1115 2.283,1116 8.089,1117 28.531,1118 3.747,1119 17.846,1120 22.165,1121 18.783,1122 35.738,1123 16.488,1124 2.017,1125 6.596,1126 30.487,1127 3.33,1128 19.038,1129 23.676,1130 20.124,1131 38.239,1132 17.575,1133 16363,1134 34722,1135 23.463,1136 35.682,1137 57.845,1138 58.245,1139 58.58,1140 57.242,1141 57.048,1142 77.432,1143 11.763,1144 176.04,1145 52.438,1146 5.7,1147 6.687,1148 6.727,1149 5.449,1150 5.412,1151 7.711,1152 5.335,1153 19.955,1154 5.107,1155 22.547,1156 1.563,1157 1.574,1158 1.583,1159 1.547,1160 1.542,1161 2.093,1162 0.318,1163 4.758,1164 1.417,1165 4.122,1166 4.125,1167 4.738,1168 4.1,1169 8.513,1170 4.051,1171 4.044,1172 4.038,1173 4.323,1174 4.037,1175 7.999,1176 3.968,1177 3.834,1178 3.863,1179 3.971,1180 3.751,1181 7.999,1182 3.744,1183 3.662,1184 3.652,1185 3.799,1186 3.567,1187 7.717,1188 3.503,1189 3.562,1190 3.596,1191 3.573,1192 3.362,1193 7.43,1194 3.371,1195 3.249,1196 3.285,1197 3.402,1198 3.172,1199 6.999,1200 3.134,1201 3.19,1202 3.224,1203 3.244,1204 2.883,1205 5.056,1206 2.918,1207 2.916,1208 2.955,1209 3.18,1210 2.829,1211 4.938,1212 2.817,1213 0.131,1214 0.127,1215 0.198,1216 0.117,1217 0.092,1218 4.862,1219 0.127,1220 4.687,1221 0.103,1222 7.313,1223 0.339,1224 4.328,1225 0.084,1226 3.412,1227 4.711,1228 3.825,1229 12.531,1230 3.107,1231 1.994,1232 1.993,1233 2.029,1234 2.067,1235 1.204,1236 2.088,1237 1.947,1238 1.939,1239 1.983,1240 2.009,1241 1.166,1242 2.022,1243 1.722,1244 1.7,1245 1.768,1246 1.84,1247 0.896,1248 1.835,1249 1.525,1250 1.482,1251 1.726,1252 1.774,1253 0.738,1254 1.763,1255 1.44,1256 1.476,1257 1.263,1258 1.611,1259 0.597,1260 1.62,1261 1.196,1262 1.168,1263 1.209,1264 1.354,1265 0.432,1266 1.38,1267 0.984,1268 0.962,1269 1.181,1270 1.312,1271 0.218,1272 1.229,1273 0.886,1274 0.867,1275 1.075,1276 1.062,1277 0.205,1278 1.107,1279 4.317,1281 5.7,1282 2.398,1283 7.253,1284 4.727,1285 8.881,1286 6.823,1287 10.548,1289 1.379,1290 6.074,1291 38.291,1296 4.896,1301 -4.584,1305 35.269,1306 103.027,1307 198.039,1308 228.568,1309 248.568,1310 248.568,1311 248.568,1312 97.108,1313 8.124,1314 101.05,1315 137.67,1316 23,1317 12.855,1318 4.7,1319 3.907,1320 57.077,1321 162,1322 166,1323 0.17,1324 223.79,1325 390.59,1326 537.807,1327 41197,1328 8.3,1329 24.673,1330 0.726,1331 0.574,1332 23.277,1333 19.533,1334 15.92,1335 0.43,1336 0.328,1337 9.515,1338 13.697,1339 9.111,1340 7.479,1341 16.226,1342 12.142,1343 16.478,1344 0.294,1345 0.181,1346 16.86,1347 10.144,1348 12.172,1349 0.176,1350 0.104,1351 13.442,1352 7.196,1353 9.949,1354 0.113,1355 0.059,1356 11.47,1357 5.228,1358 7.843,1359 0.071,1360 0.033,1361 9.695,1362 3.65,1363 0.271,1364 116.466,1365 0.206,1366 31.637,1367 0.454,1368 186,1369 821.42,1370 296.928,1371 782.638,1372 1012.77,1373 716,1374 218,1375 649.881,1376 320.751,1377 700.67,1378 1043.68,1379 654,1380 9}
{0 CHEMBL1773730,1 2.014,2 12.323,3 4.442,4 19.73,5 123.985,6 10.965,7 0.647,8 3.947,9 4.013,10 3.986,11 3.659,12 5.148,13 3.609,14 4.437,15 4.527,16 4.373,17 4.037,18 5.906,19 3.98,20 4.644,21 4.76,22 4.484,23 4.165,24 5.967,25 4.071,26 4.682,27 4.805,28 4.513,29 4.118,30 6.13,31 4.027,32 4.606,33 4.739,34 4.287,35 3.995,36 6.074,37 3.932,38 4.479,39 4.612,40 4.229,41 3.983,42 5.771,43 3.902,44 4.505,45 4.631,46 4.329,47 3.963,48 5.895,49 3.873,50 4.414,51 4.568,52 4.151,53 3.844,54 5.701,55 3.723,56 0.169,57 0.665,58 4.346,59 3.867,60 21.087,61 3.275,62 0.484,63 1.063,64 9.111,65 6.428,66 56.62,67 6.184,68 0.603,69 1.255,70 20.593,71 9.325,72 71.505,73 7.723,74 0.774,75 1.257,76 32.316,77 10.613,78 87.403,79 9.024,80 0.805,81 1.192,82 24.504,83 9.175,84 102.152,85 7.274,86 0.422,87 1.051,88 15.156,89 7.742,90 43.067,91 7.424,92 0.613,93 1.017,94 24.085,95 8.031,96 63.839,97 7.274,98 0.549,99 0.948,100 26.305,101 8.441,102 66.334,103 7.551,104 39,105 50,106 0.338,107 0.671,108 0.8,109 0.89,110 0.897,111 0.897,112 3.472,113 1.05,114 -3.86,115 -3.82,116 -3.62,119 44.4,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 8,174 1,175 5,178 4,180 3,183 9,187 6,190 1,192 3,195 10,198 1,199 13,204 6,207 6,211 2,212 8,217 5,220 3,224 7,229 2,232 9,236 1,237 9,242 2,245 11,250 4,253 2,258 9,263 4,267 1,271 9,275 1596,276 20.281,277 20.281,278 20.281,279 20.281,280 20.281,281 17.184,282 13.5,283 11.69,284 21.002,285 16.797,286 16.797,287 16.797,288 16.797,289 16.797,290 12.077,291 13.086,292 5.582,293 18.168,294 3.478,295 1.495,296 0.728,297 0.195,298 0.15,299 0.15,300 4.161,301 1,302 1,305 1,306 819,307 3.937,310 75.648,311 294.489,314 131.842,318 1.946,319 44.759,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 67.667,331 382,332 4.891,333 4.715,334 7.403,335 4.354,336 3.441,337 4.746,338 1.907,339 12.892,340 3.112,341 4.519,342 3.536,343 6.355,344 4.016,345 3.069,346 4.454,347 0.149,348 9.829,349 2.932,350 4.266,351 3.192,352 6.163,353 3.791,354 2.867,355 3.942,357 9.142,358 2.634,359 3.9,360 3.025,361 5.898,362 3.477,363 2.549,364 3.409,366 8.166,367 2.332,368 3.798,369 2.818,370 5.525,371 3.282,372 2.336,373 3.3,375 6.915,376 2.227,377 3.622,378 2.656,379 5.254,380 3.22,381 2.271,382 2.884,384 6.59,385 2.088,386 3.201,387 2.115,388 4.489,389 2.696,390 1.749,391 2.414,393 4.49,394 1.613,395 3.024,396 1.893,397 4.386,398 2.456,399 1.526,400 2.281,402 4.383,403 1.402,404 2.869,405 1.614,406 4.314,407 2.371,408 1.455,409 2.028,411 3.896,412 1.337,413 2.858,414 1.53,415 4.264,416 2.349,417 1.414,418 2.008,420 3.805,421 1.271,422 2.829,423 1.453,424 4.013,425 2.315,426 1.373,427 1.959,428 3.179,429 1.215,430 2.654,431 1.244,432 3.602,433 2.13,434 1.144,435 1.705,436 2.829,437 1.117,438 1.918,439 0.67,440 3.18,441 1.34,442 0.442,443 0.643,445 1.135,446 0.385,447 1.488,448 0.585,449 3.168,450 1.05,451 0.195,452 0.242,454 0.491,455 0.149,456 1.105,457 0.523,458 2.756,459 0.696,460 -0.207,461 -0.252,463 -0.481,464 -0.139,465 15.695,466 0.506,467 1.033,468 0.033,469 45.5,470 1.468,471 25.5,472 0.823,473 20,474 0.645,475 24.897,476 0.803,477 31.705,478 0.705,479 35.495,480 1.145,481 8.621,482 0.278,483 6.104,484 0.197,485 0.187,486 0.053,487 0.319,493 0.569,494 1.153,495 0.632,496 0.932,497 0.642,498 0.729,499 0.501,500 1.063,501 0.686,502 0.882,503 0.532,504 0.815,505 1.117,506 1.041,507 0.966,508 0.956,509 1.116,510 0.955,511 1.029,512 1.137,513 1.196,514 1.245,515 1.002,516 1.088,517 1.219,518 0.934,519 1.101,520 0.996,521 1.236,522 0.933,523 0.907,524 1.107,525 0.884,526 0.951,527 0.776,528 0.947,529 1.168,530 1.035,531 1.175,532 1.022,533 1.047,534 1.054,535 1.152,536 0.85,537 0.991,538 0.856,539 1.131,540 0.985,541 8.5,542 0.226,543 4.222,544 3.042,545 1.867,546 1.393,547 0.843,548 0.553,549 0.431,550 0.257,551 12905,552 50236,553 2.038,554 31.1,556 8,558 1,559 2,560 3,564 1.736,565 1.869,566 3.58,567 0.321,569 1,573 90.637,574 2.014,575 3.997,576 4.764,577 5.297,578 5.342,579 5.342,580 3.087,581 4.696,582 4.924,583 3.751,584 1744.03,585 8.602,586 24729.8,591 247.133,592 1.663,593 4.859,594 0.25,595 0.009,596 0.084,597 0.061,598 0.039,599 0.032,600 0.02,601 0.014,602 0.013,603 0.009,604 0.53,605 0.33,606 0.88,607 0.938,608 161.281,609 0.008,610 -0.084,611 0.066,612 -0.044,613 -0.142,614 0.04,615 0.267,616 -0.015,617 0.057,618 0.003,619 0.214,620 0.003,621 -0.185,622 -0.014,623 -0.037,624 0.04,625 -0.163,626 -0.044,627 0.017,628 -0.138,629 -0.066,630 -0.176,631 0.041,632 -0.111,633 -0.106,634 0.101,635 -0.151,636 -0.007,637 -0.053,638 0.001,639 -0.104,640 -0.133,641 -0.012,642 -0.023,643 -0.016,644 0.007,645 -0.133,646 -0.087,647 -0.069,648 -0.078,649 -0.095,650 -0.102,651 -0.153,652 0.095,653 0.05,654 0.133,655 -0.15,656 0.044,657 4.88,658 5.765,659 0.677,660 31.143,661 1.033,662 1.108,663 2.629,664 6.909,665 0.777,666 3.555,667 3.932,668 4.174,669 4.454,670 4.654,671 4.745,672 4.898,673 5.011,674 5.112,675 5.231,676 7.185,677 0.743,678 493.42,679 3.555,680 5.13,681 5.984,682 6.887,683 7.759,684 8.664,685 9.544,686 10.449,687 11.334,688 12.239,689 8.9,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 2,731 45,733 25,734 2,735 34,737 48,738 20,739 18,740 5,741 7,746 4,747 5,748 2,752 1,761 19,762 1,766 3,769 1,771 3,775 1,781 14,782 7,783 2,784 11,785 4,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 2,848 31,852 1,855 2,863 1,869 2,870 6.7,873 3,877 16.583,878 8.519,879 6.569,880 2.434,881 4.229,882 1.535,883 1.025,884 6.172,885 12.131,886 3.892,887 4.588,888 5.144,889 5.775,890 6.309,891 6.65,892 7.13,893 7.561,894 7.902,895 8.342,896 1,897 50,898 11.723,900 5.413,901 8.069,902 21.14,904 17.557,905 2.569,906 79.639,910 141.253,911 156.114,912 67.987,913 78.297,914 69.458,916 37.085,917 119.029,918 289.008,919 67.987,920 8.825,921 18.011,922 81.617,923 135.91,924 25.872,925 42.966,926 160.76,927 39.149,928 141.253,929 187.016,930 69.458,931 115.382,933 141.253,934 69.458,937 38.528,938 98.511,939 94.932,940 70.426,941 141.253,942 137.445,943 234.411,945 5.807,946 141.253,947 56.624,948 93.683,949 34.416,950 181.326,951 141.253,952 137.445,953 234.411,955 0.597,956 0.336,957 0.181,958 0.097,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.126,966 284.383,967 0.095,968 21,969 151.58,970 1,973 1,974 21.965,975 8.711,976 4.827,977 1.591,978 137.445,979 14.792,980 8.472,983 1.335,984 2.108,986 34.416,987 513.109,988 48,991 -3.963,993 36.786,997 -0.198,999 46.491,1000 49.841,1001 0.367,1002 0.728,1003 0.867,1004 0.965,1005 0.973,1006 0.973,1007 5.145,1008 1.526,1009 6.023,1010 4.49,1011 4.615,1012 5.276,1013 1.953,1014 6.891,1015 4.464,1016 6.417,1017 1.455,1018 7.626,1019 4.383,1020 4.443,1021 5.394,1022 1.593,1023 8.061,1024 4.178,1025 7.781,1026 1.414,1027 9.337,1028 3.896,1029 6.308,1030 7.639,1031 2.904,1032 11.115,1033 6.011,1034 9.184,1035 1.373,1036 11.114,1037 3.805,1038 6.909,1039 8.538,1040 3.032,1041 13.119,1042 6.482,1043 10.618,1044 1.144,1045 12.935,1046 3.179,1047 8.325,1048 10.329,1049 4.037,1050 15.78,1051 7.865,1052 12.077,1053 0.442,1054 14.789,1055 2.829,1056 9.263,1057 11.573,1058 4.409,1059 18.113,1060 8.674,1061 13.556,1062 0.195,1063 16.668,1064 1.135,1065 10.525,1066 13.198,1067 5.25,1068 20.675,1069 9.884,1070 3.441,1071 -0.207,1072 18.567,1073 0.491,1074 11.611,1075 14.598,1076 5.75,1077 23.138,1078 10.851,1079 3.069,1080 12.892,1081 20.482,1082 -0.481,1083 12.824,1084 16.161,1085 6.501,1086 25.681,1087 11.994,1088 2.867,1089 9.829,1090 22.412,1091 4.746,1092 13.976,1093 17.632,1094 7.068,1095 28.196,1096 13.035,1097 2.549,1098 9.142,1099 24.352,1100 4.454,1101 15.178,1102 19.173,1103 7.771,1104 30.74,1105 14.154,1106 2.336,1107 8.166,1108 26.302,1109 3.942,1110 16.362,1111 20.678,1112 8.374,1113 33.277,1114 15.232,1115 2.271,1116 6.915,1117 28.26,1118 3.409,1119 17.566,1120 22.213,1121 9.051,1122 35.825,1123 16.344,1124 1.749,1125 6.59,1126 30.225,1127 3.3,1128 18.767,1129 23.735,1130 9.674,1131 38.372,1132 17.44,1133 12398,1134 24660,1135 22.076,1136 34.966,1137 52.141,1138 54.158,1139 53.674,1140 51.834,1141 51.662,1142 72.032,1143 4.112,1144 155.484,1145 47.625,1146 5.729,1147 6.715,1148 7.086,1149 5.475,1150 5.441,1151 7.746,1152 3.306,1153 20.652,1154 5.112,1155 18.056,1156 1.534,1157 1.593,1158 1.579,1159 1.525,1160 1.519,1161 2.119,1162 0.121,1163 4.573,1164 1.401,1165 4.119,1166 4.122,1167 4.745,1168 4.101,1169 7.717,1170 4.05,1171 4.04,1172 4.027,1173 4.323,1174 4.039,1175 7.43,1176 3.964,1177 3.821,1178 3.849,1179 3.975,1180 3.747,1181 6.999,1182 3.738,1183 3.602,1184 3.624,1185 3.867,1186 3.524,1187 5.057,1188 3.448,1189 3.551,1190 3.553,1191 3.573,1192 3.36,1193 4.938,1194 3.364,1195 3.237,1196 3.268,1197 3.402,1198 3.17,1199 4.906,1200 3.129,1201 2.92,1202 2.96,1203 3.285,1204 2.859,1205 4.413,1206 2.828,1207 2.879,1208 2.922,1209 3.181,1210 2.799,1211 4.337,1212 2.77,1213 0.144,1214 0.139,1215 0.218,1216 0.128,1217 0.101,1218 4.891,1219 0.14,1220 4.715,1221 0.056,1222 7.403,1223 0.379,1224 4.354,1225 0.092,1226 3.441,1227 4.746,1228 1.907,1229 12.892,1230 3.112,1231 1.99,1232 1.988,1233 2.028,1234 2.059,1235 1.199,1236 2.079,1237 1.935,1238 1.934,1239 1.957,1240 1.986,1241 1.149,1242 2.012,1243 1.717,1244 1.694,1245 1.768,1246 1.83,1247 0.89,1248 1.828,1249 1.525,1250 1.482,1251 1.726,1252 1.772,1253 0.738,1254 1.762,1255 1.404,1256 1.437,1257 1.261,1258 1.553,1259 0.562,1260 1.592,1261 1.195,1262 1.168,1263 1.196,1264 1.348,1265 0.431,1266 1.38,1267 0.945,1268 0.937,1269 1.108,1270 1.033,1271 0.196,1272 1.068,1273 0.868,1274 0.824,1275 1.073,1276 1.012,1277 0.161,1278 1.045,1279 4.234,1281 5.595,1282 2.398,1283 7.136,1284 4.727,1285 8.762,1286 6.823,1287 10.433,1289 1.419,1290 12.177,1296 5.12,1305 33.42,1306 90.637,1307 179.849,1308 214.379,1309 238.379,1310 240.379,1311 240.379,1312 69.381,1313 7.902,1314 101.05,1315 137.67,1316 23,1317 12.761,1318 4.7,1319 3.907,1320 49.49,1321 134,1322 138,1323 0.181,1324 218.936,1325 370.29,1326 525.963,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.614,1332 23.777,1333 19.033,1334 14.725,1335 0.433,1336 0.35,1337 8.999,1338 12.536,1339 8.513,1340 7.029,1341 16.532,1342 11.898,1343 14.432,1344 0.289,1345 0.199,1346 17.124,1347 9.928,1348 11.231,1349 0.175,1350 0.114,1351 13.843,1352 7.314,1353 9.671,1354 0.114,1355 0.066,1356 12.605,1357 5.584,1358 7.505,1359 0.072,1360 0.035,1361 9.806,1362 3.62,1363 0.285,1364 110.224,1365 0.213,1366 29.11,1367 0.492,1368 168,1369 571.29,1370 277.431,1371 656.165,1372 864.75,1373 602,1374 198,1375 543.743,1376 306.915,1377 623.413,1378 912.59,1379 583,1380 9}
{0 CHEMBL1773731,1 2.014,2 12.355,3 4.442,4 19.73,5 123.985,6 10.965,7 0.647,8 3.947,9 4.013,10 3.986,11 3.659,12 5.147,13 3.609,14 4.437,15 4.527,16 4.373,17 4.037,18 5.909,19 3.98,20 4.644,21 4.759,22 4.396,23 4.148,24 5.979,25 4.058,26 4.671,27 4.806,28 4.473,29 4.114,30 5.999,31 4.009,32 4.612,33 4.738,34 4.39,35 3.998,36 6.169,37 3.947,38 4.479,39 4.612,40 4.19,41 3.973,42 5.768,43 3.889,44 4.497,45 4.632,46 4.2,47 3.942,48 5.836,49 3.854,50 4.423,51 4.567,52 4.286,53 3.866,54 5.764,55 3.745,56 0.169,57 0.665,58 4.346,59 3.867,60 20.976,61 3.275,62 0.484,63 1.063,64 9.111,65 6.428,66 56.387,67 6.184,68 0.61,69 1.26,70 19.47,71 9.294,72 68.351,73 7.718,74 0.666,75 1.274,76 32.118,77 10.592,78 80.665,79 9.038,80 0.889,81 1.182,82 24.717,83 9.187,84 110.804,85 7.361,86 0.431,87 1.052,88 16.054,89 7.754,90 42.7,91 7.395,92 0.554,93 1.029,94 20.414,95 7.979,96 61.406,97 7.35,98 0.608,99 0.935,100 29.976,101 8.493,102 69.834,103 7.474,104 39,105 50,106 0.338,107 0.671,108 0.808,109 0.897,110 0.897,111 0.897,112 3.472,113 1.049,114 -3.86,115 -3.82,116 -3.62,119 44.4,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 7,174 1,175 5,178 4,180 3,183 11,187 8,190 1,192 4,195 9,198 1,199 9,204 4,207 6,211 2,212 10,217 6,220 4,224 8,229 2,232 9,236 1,237 7,242 2,245 9,250 5,253 2,258 11,263 4,267 1,271 7,275 1613,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.412,283 11.645,284 20.981,285 16.809,286 16.809,287 16.809,288 16.809,289 16.809,290 12.096,291 13.881,292 5.586,293 18.209,294 3.478,295 1.495,296 0.683,297 0.15,298 0.15,299 0.15,300 4.161,301 1,302 1,305 1,306 821,307 3.937,310 76.047,311 295.795,314 132.57,318 1.979,319 44.344,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 67.667,331 383,332 4.863,333 4.687,334 7.315,335 4.322,336 3.404,337 4.713,338 1.907,339 12.546,340 3.1,341 4.518,342 3.536,343 6.354,344 4.015,345 3.068,346 4.454,347 0.149,348 9.827,349 2.93,350 4.262,351 3.189,352 6.155,353 3.786,354 2.861,355 3.939,357 9.12,358 2.632,359 3.89,360 3.024,361 5.878,362 3.466,363 2.539,364 3.405,366 8.098,367 2.325,368 3.813,369 2.887,370 5.255,371 3.293,372 2.374,373 3.312,375 6.601,376 2.223,377 3.622,378 2.657,379 5.212,380 3.244,381 2.279,382 2.885,384 6.482,385 2.102,386 3.201,387 2.116,388 4.622,389 2.696,390 1.75,391 2.415,393 4.503,394 1.614,395 3.025,396 1.964,397 4.489,398 2.502,399 1.589,400 2.282,402 4.45,403 1.408,404 3.009,405 1.621,406 4.386,407 2.454,408 1.526,409 2.197,411 4.383,412 1.382,413 2.851,414 1.527,415 4.274,416 2.339,417 1.388,418 2,420 3.857,421 1.305,422 2.822,423 1.435,424 4.131,425 2.296,426 1.372,427 1.946,428 3.644,429 1.204,430 2.61,431 1.181,432 3.488,433 2.099,434 1.108,435 1.653,436 2.529,437 1.091,438 1.918,439 0.662,440 3.188,441 1.34,442 0.441,443 0.643,445 1.134,446 0.385,447 1.487,448 0.58,449 3.168,450 1.045,451 0.189,452 0.235,454 0.476,455 0.144,456 1.105,457 0.393,458 2.756,459 0.695,460 -0.227,461 -0.274,463 -0.631,464 -0.206,465 15.695,466 0.506,467 1.05,468 0.034,469 45.5,470 1.468,471 25.5,472 0.823,473 20,474 0.645,475 24.713,476 0.797,477 31.705,478 0.705,479 35.414,480 1.142,481 8.606,482 0.278,483 6.103,484 0.197,485 0.187,486 0.053,487 0.319,493 0.569,494 1.153,495 0.632,496 0.932,497 0.643,498 0.729,499 0.501,500 1.063,501 0.686,502 0.882,503 0.526,504 0.815,505 1.152,506 1.053,507 1.102,508 1.046,509 1.103,510 1.023,511 1.121,512 1.118,513 1.028,514 1.096,515 1.139,516 1.033,517 1.01,518 0.948,519 1.033,520 1.046,521 1.069,522 0.914,523 0.924,524 1.117,525 0.94,526 1.002,527 0.788,528 1.009,529 1.216,530 1.021,531 1.185,532 0.991,533 1.068,534 1.033,535 1.101,536 0.865,537 0.981,538 0.889,539 1.115,540 1.008,541 9,542 0.217,543 4,544 2.667,545 2.107,546 1.337,547 0.802,548 0.593,549 0.382,550 0.292,551 13013,552 51068,553 2.038,554 31.1,556 8,558 1,559 2,560 3,564 1.736,565 1.869,566 3.6,567 0.321,569 1,573 90.637,574 2.014,575 3.997,576 4.808,577 5.342,578 5.342,579 5.342,580 3.087,581 4.696,582 4.924,583 3.766,584 1751.23,585 8.6,586 24931.5,591 247.133,592 1.663,593 4.859,594 0.265,595 0.008,596 0.08,597 0.054,598 0.046,599 0.029,600 0.02,601 0.015,602 0.011,603 0.01,604 0.538,605 0.33,606 0.88,607 0.938,608 161.525,609 0.008,610 -0.084,611 0.066,612 -0.044,613 -0.143,614 0.04,615 0.267,616 -0.015,617 0.057,618 0.003,619 0.221,620 0.003,621 -0.22,622 -0.027,623 -0.176,624 -0.052,625 -0.151,626 -0.114,627 -0.132,628 -0.11,629 0.012,630 -0.03,631 -0.119,632 -0.041,633 0.128,634 0.083,635 -0.047,636 -0.055,637 0.126,638 0.015,639 -0.121,640 -0.143,641 -0.068,642 -0.075,643 -0.029,644 -0.057,645 -0.225,646 -0.065,647 -0.154,648 -0.052,649 -0.131,650 -0.07,651 -0.054,652 0.072,653 0.142,654 0.105,655 -0.116,656 0.009,657 4.824,658 5.722,659 0.677,660 31.779,661 1.033,662 1.108,663 2.629,664 6.909,665 0.777,666 3.555,667 3.932,668 4.159,669 4.431,670 4.673,671 4.745,672 4.905,673 4.997,674 5.112,675 5.231,676 7.251,677 0.743,678 493.42,679 3.555,680 5.13,681 5.979,682 6.878,683 7.749,684 8.648,685 9.529,686 10.428,687 11.313,688 12.211,689 8.9,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 2,731 45,733 25,734 2,735 34,737 48,738 20,739 18,740 5,741 7,746 4,747 5,748 2,752 1,761 19,762 1,766 3,769 1,771 3,775 1,781 14,782 7,783 2,784 11,785 4,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 2,848 31,852 1,855 2,863 1,869 2,870 6.7,873 3,877 16.583,878 8.519,879 6.542,880 2.427,881 4.2,882 1.532,883 1.025,884 6.172,885 12.102,886 3.892,887 4.588,888 5.135,889 5.759,890 6.326,891 6.653,892 7.142,893 7.544,894 7.903,895 8.342,896 1,897 49,898 11.704,900 5.384,901 8.069,902 21.14,904 17.552,905 2.569,906 79.639,910 141.253,911 156.114,912 67.987,913 78.297,914 69.458,916 37.085,917 119.029,918 289.008,919 67.987,920 8.825,921 18.011,922 81.617,923 135.91,924 25.872,925 42.966,926 160.76,927 39.149,928 141.253,929 187.016,930 69.458,931 115.382,933 141.253,934 69.458,937 38.528,938 98.511,939 94.932,940 70.426,941 141.253,942 137.445,943 234.411,945 5.807,946 141.253,947 56.624,948 93.683,949 34.416,950 181.326,951 141.253,952 137.445,953 234.411,955 0.598,956 0.331,957 0.174,958 0.101,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.143,966 283.152,967 0.095,968 21,969 151.58,970 1,973 1,974 21.965,975 8.711,976 4.987,977 1.596,978 137.445,979 14.61,980 8.475,983 1.337,984 2.422,986 34.416,987 513.109,988 48,991 -3.907,993 36.699,997 -0.196,999 46.491,1000 49.841,1001 0.367,1002 0.728,1003 0.876,1004 0.973,1005 0.973,1006 0.973,1007 5.145,1008 1.589,1009 6.019,1010 4.503,1011 4.615,1012 5.276,1013 1.953,1014 6.874,1015 4.464,1016 6.417,1017 1.526,1018 7.614,1019 4.45,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.178,1025 7.779,1026 1.388,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.053,1033 6.008,1034 9.179,1035 1.372,1036 11.082,1037 3.857,1038 6.889,1039 8.524,1040 3.032,1041 13.026,1042 6.473,1043 10.61,1044 1.108,1045 12.892,1046 3.644,1047 8.302,1048 10.315,1049 4.037,1050 15.661,1051 7.856,1052 12.064,1053 0.441,1054 14.735,1055 2.529,1056 9.224,1057 11.549,1058 4.409,1059 17.963,1060 8.659,1061 13.538,1062 0.189,1063 16.602,1064 1.134,1065 10.48,1066 13.172,1067 5.25,1068 20.494,1069 9.869,1070 3.404,1071 -0.227,1072 18.489,1073 0.476,1074 11.551,1075 14.564,1076 5.75,1077 22.926,1078 10.831,1079 3.068,1080 12.546,1081 20.392,1082 -0.631,1083 12.755,1084 16.123,1085 6.501,1086 25.437,1087 11.971,1088 2.861,1089 9.827,1090 22.309,1091 4.713,1092 13.894,1093 17.587,1094 7.068,1095 27.921,1096 13.008,1097 2.539,1098 9.12,1099 24.237,1100 4.454,1101 15.086,1102 19.123,1103 7.771,1104 30.433,1105 14.124,1106 2.374,1107 8.098,1108 26.174,1109 3.939,1110 16.256,1111 20.62,1112 8.374,1113 32.94,1114 15.198,1115 2.279,1116 6.601,1117 28.119,1118 3.405,1119 17.449,1120 22.15,1121 9.051,1122 35.458,1123 16.307,1124 1.75,1125 6.482,1126 30.071,1127 3.312,1128 18.637,1129 23.665,1130 9.674,1131 37.975,1132 17.399,1133 12499,1134 24955,1135 22.076,1136 34.966,1137 52.255,1138 53.787,1139 53.477,1140 51.934,1141 51.777,1142 72.159,1143 4.112,1144 155.3,1145 47.69,1146 5.698,1147 6.687,1148 6.865,1149 5.443,1150 5.404,1151 7.713,1152 3.306,1153 19.987,1154 5.1,1155 18.161,1156 1.537,1157 1.582,1158 1.573,1159 1.527,1160 1.523,1161 2.122,1162 0.121,1163 4.568,1164 1.403,1165 4.118,1166 4.122,1167 4.739,1168 4.099,1169 7.717,1170 4.049,1171 4.04,1172 4.028,1173 4.323,1174 4.037,1175 7.43,1176 3.962,1177 3.821,1178 3.849,1179 3.975,1180 3.747,1181 6.999,1182 3.739,1183 3.605,1184 3.624,1185 3.908,1186 3.535,1187 5.057,1188 3.457,1189 3.552,1190 3.552,1191 3.573,1192 3.36,1193 4.938,1194 3.366,1195 3.237,1196 3.268,1197 3.402,1198 3.171,1199 4.921,1200 3.13,1201 2.92,1202 2.96,1203 3.221,1204 2.86,1205 4.413,1206 2.828,1207 2.878,1208 2.921,1209 3.18,1210 2.793,1211 4.294,1212 2.766,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.863,1219 0.139,1220 4.687,1221 0.056,1222 7.315,1223 0.369,1224 4.322,1225 0.091,1226 3.404,1227 4.713,1228 1.907,1229 12.546,1230 3.1,1231 1.99,1232 1.988,1233 2.028,1234 2.06,1235 1.199,1236 2.081,1237 1.936,1238 1.934,1239 1.953,1240 1.987,1241 1.149,1242 2.013,1243 1.717,1244 1.694,1245 1.767,1246 1.829,1247 0.889,1248 1.826,1249 1.525,1250 1.482,1251 1.725,1252 1.772,1253 0.738,1254 1.762,1255 1.4,1256 1.438,1257 1.261,1258 1.545,1259 0.552,1260 1.584,1261 1.195,1262 1.168,1263 1.196,1264 1.348,1265 0.431,1266 1.38,1267 0.945,1268 0.937,1269 1.09,1270 1.032,1271 0.195,1272 1.063,1273 0.867,1274 0.824,1275 1.073,1276 1.009,1277 0.154,1278 1.045,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.75,1286 6.823,1287 10.411,1289 1.419,1290 12.053,1296 5.133,1305 33.42,1306 90.637,1307 179.849,1308 216.379,1309 240.379,1310 240.379,1311 240.379,1312 68.408,1313 7.902,1314 101.05,1315 137.67,1316 23,1317 12.737,1318 4.7,1319 3.907,1320 49.499,1321 135,1322 138,1323 0.179,1324 218.936,1325 370.29,1326 525.963,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.614,1332 23.777,1333 19.033,1334 14.708,1335 0.433,1336 0.35,1337 8.993,1338 12.473,1339 8.505,1340 7.019,1341 16.515,1342 11.892,1343 14.532,1344 0.291,1345 0.2,1346 17.28,1347 10.015,1348 11.157,1349 0.177,1350 0.112,1351 13.612,1352 7.028,1353 9.352,1354 0.113,1355 0.064,1356 11.878,1357 5.339,1358 7.736,1359 0.073,1360 0.036,1361 10.34,1362 3.792,1363 0.283,1364 110.123,1365 0.213,1366 29.159,1367 0.486,1368 168,1369 571.29,1370 277.431,1371 656.285,1372 864.11,1373 602,1374 197,1375 542.743,1376 299.033,1377 622.499,1378 908.63,1379 582,1380 9}
{0 CHEMBL1773732,1 2.014,2 12.871,3 4.442,4 19.73,5 123.985,6 10.965,7 0.647,8 3.947,9 4.013,10 3.986,11 3.659,12 5.147,13 3.609,14 4.437,15 4.527,16 4.373,17 4.037,18 5.908,19 3.98,20 4.644,21 4.759,22 4.396,23 4.148,24 5.981,25 4.058,26 4.671,27 4.806,28 4.384,29 4.097,30 6.011,31 3.995,32 4.6,33 4.74,34 4.345,35 3.993,36 6.044,37 3.926,38 4.485,39 4.611,40 4.302,41 3.976,42 5.895,43 3.905,44 4.497,45 4.632,46 4.16,47 3.932,48 5.832,49 3.841,50 4.414,51 4.568,52 4.151,53 3.844,54 5.696,55 3.723,56 0.169,57 0.665,58 4.346,59 3.867,60 20.976,61 3.275,62 0.484,63 1.063,64 9.111,65 6.428,66 56.276,67 6.184,68 0.61,69 1.26,70 19.47,71 9.294,72 68.118,73 7.718,74 0.673,75 1.279,76 30.995,77 10.561,78 77.511,79 9.033,80 0.781,81 1.199,82 24.519,83 9.166,84 104.065,85 7.375,86 0.514,87 1.042,88 16.267,89 7.765,90 51.352,91 7.483,92 0.562,93 1.029,94 21.312,95 7.991,96 61.039,97 7.321,98 0.549,99 0.948,100 26.305,101 8.441,102 67.401,103 7.551,104 39,105 50,106 0.338,107 0.671,108 0.793,109 0.867,110 0.867,111 0.867,112 3.472,113 1.049,114 -3.86,115 -3.82,116 -3.62,119 44.4,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 7,174 1,175 5,178 4,180 3,183 10,187 8,190 1,192 4,195 11,198 1,199 11,204 5,207 5,211 2,212 6,217 4,220 4,224 10,229 3,232 10,236 1,237 8,242 2,245 9,250 3,253 2,258 9,263 5,267 1,271 9,275 1630,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.412,283 11.606,284 20.981,285 16.792,286 16.792,287 16.792,288 16.792,289 16.792,290 12.09,291 13.415,292 5.564,293 18.203,294 3.478,295 1.495,296 0.772,297 0.328,298 0.328,299 0.328,300 4.161,301 1,302 1,305 1,306 857,307 3.937,310 76.491,311 297.329,314 133.384,318 1.948,319 44.089,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 67.667,331 399,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 1.907,339 12.528,340 3.099,341 4.518,342 3.536,343 6.354,344 4.015,345 3.068,346 4.454,347 0.149,348 9.826,349 2.93,350 4.262,351 3.188,352 6.155,353 3.785,354 2.86,355 3.939,357 9.118,358 2.632,359 3.887,360 3.024,361 5.877,362 3.463,363 2.536,364 3.404,366 8.09,367 2.323,368 3.817,369 2.897,370 5.255,371 3.298,372 2.385,373 3.315,375 6.597,376 2.222,377 3.623,378 2.657,379 5.14,380 3.249,381 2.28,382 2.885,384 6.3,385 2.106,386 3.202,387 2.116,388 4.734,389 2.697,390 1.75,391 2.415,393 4.775,394 1.615,395 3.081,396 1.982,397 4.489,398 2.562,399 1.642,400 2.296,402 4.487,403 1.446,404 3.023,405 1.623,406 4.386,407 2.454,408 1.526,409 2.275,411 4.383,412 1.397,413 2.851,414 1.526,415 4.275,416 2.338,417 1.384,418 2,420 3.859,421 1.311,422 2.821,423 1.429,424 4.142,425 2.29,426 1.371,427 1.944,428 3.672,429 1.2,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 0.711,440 3.216,441 1.34,442 0.442,443 0.643,445 1.135,446 0.385,447 1.488,448 0.608,449 3.168,450 1.05,451 0.195,452 0.242,454 0.493,455 0.149,456 1.12,457 0.564,458 2.758,459 0.696,460 -0.203,461 -0.249,463 -0.463,464 -0.137,465 15.695,466 0.506,467 1.05,468 0.034,469 45.5,470 1.468,471 25.5,472 0.823,473 20,474 0.645,475 24.578,476 0.793,477 31.705,478 0.705,479 35.353,480 1.14,481 8.606,482 0.278,483 6.103,484 0.197,485 0.187,486 0.053,487 0.319,493 0.569,494 1.153,495 0.632,496 0.932,497 0.643,498 0.729,499 0.501,500 1.063,501 0.686,502 0.882,503 0.526,504 0.815,505 1.152,506 1.053,507 1.102,508 1.046,509 1.098,510 1.023,511 1.155,512 1.13,513 1.159,514 1.183,515 1.127,516 1.099,517 1.11,518 0.928,519 0.849,520 0.884,521 1.218,522 0.855,523 0.695,524 1.132,525 0.865,526 1.056,527 0.605,528 0.988,529 1.233,530 1.031,531 1.241,532 1.042,533 1.079,534 1.096,535 1.152,536 0.85,537 0.991,538 0.856,539 1.137,540 0.985,541 9,542 0.246,543 4.222,544 2.542,545 1.929,546 1.504,547 0.8,548 0.586,549 0.427,550 0.278,551 13121,552 51900,553 2.038,554 31.1,556 8,558 1,559 2,560 3,564 1.736,565 1.869,566 3.64,567 0.321,569 1,573 90.637,574 2.014,575 3.997,576 4.72,577 5.164,578 5.164,579 5.164,580 3.112,581 4.567,582 4.922,583 3.789,584 1761.94,585 8.597,586 25129.3,591 247.133,592 1.663,593 4.859,594 0.265,595 0.009,596 0.084,597 0.052,598 0.043,599 0.034,600 0.019,601 0.015,602 0.013,603 0.009,604 0.543,605 0.33,606 0.88,607 0.938,608 161.758,609 0.008,610 -0.084,611 0.066,612 -0.044,613 -0.143,614 0.04,615 0.267,616 -0.015,617 0.057,618 0.003,619 0.22,620 0.003,621 -0.22,622 -0.027,623 -0.176,624 -0.052,625 -0.146,626 -0.114,627 -0.166,628 -0.122,629 -0.123,630 -0.119,631 -0.107,632 -0.108,633 -0.034,634 0.113,635 0.037,636 0.103,637 -0.049,638 0.091,639 0.135,640 -0.163,641 0.045,642 -0.128,643 0.166,644 -0.041,645 -0.243,646 -0.076,647 -0.211,648 -0.104,649 -0.144,650 -0.134,651 -0.153,652 0.095,653 0.05,654 0.133,655 -0.155,656 0.044,657 4.792,658 5.697,659 0.677,660 32.416,661 1.033,662 1.108,663 2.629,664 6.909,665 0.777,666 3.555,667 3.932,668 4.159,669 4.419,670 4.663,671 4.779,672 4.883,673 4.997,674 5.118,675 5.226,676 7.324,677 0.743,678 493.42,679 3.555,680 5.13,681 5.979,682 6.876,683 7.746,684 8.645,685 9.524,686 10.423,687 11.306,688 12.206,689 8.9,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 2,731 45,733 25,734 2,735 34,737 48,738 20,739 18,740 5,741 7,746 4,747 5,748 2,752 1,761 19,762 1,766 3,769 1,771 3,775 1,781 14,782 7,783 2,784 11,785 4,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 2,848 31,852 1,855 2,863 1,869 2,870 6.7,873 3,877 16.583,878 8.519,879 6.542,880 2.427,881 4.191,882 1.53,883 1.025,884 6.172,885 12.093,886 3.892,887 4.588,888 5.135,889 5.752,890 6.318,891 6.687,892 7.122,893 7.545,894 7.905,895 8.34,896 0.889,897 49,898 11.693,900 5.369,901 8.069,902 21.14,904 17.552,905 2.569,906 79.639,910 141.253,911 156.114,912 67.987,913 78.297,914 69.458,916 37.085,917 119.029,918 289.008,919 67.987,920 8.825,921 18.011,922 81.617,923 135.91,924 25.872,925 42.966,926 160.76,927 39.149,928 141.253,929 187.016,930 69.458,931 115.382,933 141.253,934 69.458,937 38.528,938 98.511,939 94.932,940 70.426,941 141.253,942 137.445,943 234.411,945 5.807,946 141.253,947 56.624,948 93.683,949 34.416,950 181.326,951 141.253,952 137.445,953 234.411,955 0.599,956 0.331,957 0.17,958 0.098,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.157,966 282.324,967 0.095,968 21,969 147.58,970 1,973 1,974 21.965,975 8.711,976 4.987,977 1.6,978 137.445,979 14.499,980 8.477,983 1.338,984 2.614,986 34.416,987 513.109,988 48,991 -3.876,993 36.647,997 -0.196,999 46.491,1000 49.841,1001 0.367,1002 0.728,1003 0.859,1004 0.94,1005 0.94,1006 0.94,1007 5.145,1008 1.642,1009 6.019,1010 4.775,1011 4.615,1012 5.276,1013 1.953,1014 6.872,1015 4.464,1016 6.417,1017 1.526,1018 7.614,1019 4.487,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.178,1025 7.779,1026 1.384,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.046,1033 6.008,1034 9.179,1035 1.371,1036 11.081,1037 3.859,1038 6.889,1039 8.524,1040 3.032,1041 13.022,1042 6.473,1043 10.61,1044 1,1045 12.891,1046 3.672,1047 8.3,1048 10.314,1049 4.037,1050 15.652,1051 7.856,1052 12.064,1053 0.442,1054 14.732,1055 2.275,1056 9.221,1057 11.547,1058 4.409,1059 17.955,1060 8.658,1061 13.537,1062 0.195,1063 16.599,1064 1.135,1065 10.476,1066 13.17,1067 5.25,1068 20.483,1069 9.867,1070 3.4,1071 -0.203,1072 18.486,1073 0.493,1074 11.546,1075 14.56,1076 5.75,1077 22.915,1078 10.828,1079 3.068,1080 12.528,1081 20.389,1082 -0.463,1083 12.749,1084 16.119,1085 6.501,1086 25.423,1087 11.969,1088 2.86,1089 9.826,1090 22.305,1091 4.71,1092 13.886,1093 17.581,1094 7.068,1095 27.906,1096 13.005,1097 2.536,1098 9.118,1099 24.232,1100 4.454,1101 15.077,1102 19.117,1103 7.771,1104 30.417,1105 14.121,1106 2.385,1107 8.09,1108 26.169,1109 3.939,1110 16.246,1111 20.614,1112 8.374,1113 32.922,1114 15.194,1115 2.28,1116 6.597,1117 28.114,1118 3.404,1119 17.438,1120 22.143,1121 9.051,1122 35.438,1123 16.303,1124 1.75,1125 6.3,1126 30.065,1127 3.315,1128 18.624,1129 23.657,1130 9.674,1131 37.954,1132 17.394,1133 12601,1134 25251,1135 22.076,1136 34.966,1137 52.171,1138 54.114,1139 53.479,1140 51.862,1141 51.682,1142 72.046,1143 4.112,1144 155.078,1145 47.63,1146 5.694,1147 6.686,1148 6.726,1149 5.44,1150 5.4,1151 7.71,1152 3.306,1153 19.92,1154 5.099,1155 18.251,1156 1.534,1157 1.592,1158 1.573,1159 1.525,1160 1.52,1161 2.119,1162 0.121,1163 4.561,1164 1.401,1165 4.118,1166 4.122,1167 4.738,1168 4.099,1169 7.717,1170 4.049,1171 4.039,1172 4.028,1173 4.323,1174 4.036,1175 7.43,1176 3.961,1177 3.821,1178 3.849,1179 3.974,1180 3.747,1181 6.999,1182 3.739,1183 3.606,1184 3.624,1185 3.919,1186 3.54,1187 5.057,1188 3.461,1189 3.553,1190 3.552,1191 3.573,1192 3.36,1193 4.938,1194 3.366,1195 3.237,1196 3.268,1197 3.402,1198 3.171,1199 4.925,1200 3.13,1201 2.92,1202 2.96,1203 3.187,1204 2.86,1205 4.413,1206 2.828,1207 2.854,1208 2.925,1209 3.155,1210 2.735,1211 4.263,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.056,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.099,1231 1.99,1232 1.988,1233 2.028,1234 2.06,1235 1.199,1236 2.081,1237 1.936,1238 1.934,1239 1.951,1240 1.988,1241 1.149,1242 2.014,1243 1.717,1244 1.694,1245 1.767,1246 1.828,1247 0.889,1248 1.825,1249 1.525,1250 1.482,1251 1.725,1252 1.772,1253 0.738,1254 1.762,1255 1.397,1256 1.438,1257 1.258,1258 1.54,1259 0.541,1260 1.577,1261 1.195,1262 1.168,1263 1.181,1264 1.348,1265 0.431,1266 1.38,1267 0.944,1268 0.937,1269 1.166,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.073,1276 1.021,1277 0.179,1278 1.045,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.748,1286 6.823,1287 10.408,1289 1.42,1290 11.975,1296 5.141,1305 33.42,1306 90.637,1307 179.849,1308 212.379,1309 232.379,1310 232.379,1311 232.379,1312 68.028,1313 7.902,1314 101.05,1315 137.67,1316 23,1317 12.732,1318 4.7,1319 3.907,1320 49.519,1321 136,1322 138,1323 0.178,1324 218.936,1325 370.29,1326 525.963,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.614,1332 23.777,1333 19.033,1334 14.708,1335 0.433,1336 0.35,1337 8.993,1338 12.473,1339 8.505,1340 7.018,1341 16.515,1342 11.892,1343 14.52,1344 0.29,1345 0.2,1346 17.268,1347 10.012,1348 11.236,1349 0.178,1350 0.112,1351 13.731,1352 7.08,1353 9.25,1354 0.113,1355 0.063,1356 11.637,1357 5.144,1358 7.544,1359 0.072,1360 0.036,1361 9.938,1362 3.746,1363 0.281,1364 110.123,1365 0.213,1366 29.213,1367 0.48,1368 168,1369 571.29,1370 277.431,1371 656.22,1372 864.09,1373 602,1374 197,1375 542.743,1376 299.033,1377 622.361,1378 908.32,1379 582,1380 9}
{0 CHEMBL1773733,1 1.818,2 13.206,3 5.178,4 26.81,5 137.846,6 9.037,7 0.595,8 4.143,9 4.235,10 4.019,11 3.807,12 5.261,13 3.742,14 4.668,15 4.806,16 4.409,17 4.203,18 5.989,19 4.133,20 4.9,21 5.041,22 4.445,23 4.369,24 6.117,25 4.259,26 5.066,27 5.279,28 4.483,29 4.376,30 6.192,31 4.235,32 4.951,33 5.141,34 4.453,35 4.284,36 6.219,37 4.173,38 4.848,39 5.004,40 4.363,41 4.234,42 6.115,43 4.126,44 4.908,45 5.091,46 4.234,47 4.123,48 6.225,49 4.036,50 4.651,51 4.833,52 4.239,53 4.056,54 5.819,55 3.932,56 0.114,57 0.842,58 11.224,59 5.523,60 17.599,61 6.023,62 0.457,63 1.363,64 22.009,65 9.437,66 64.268,67 11.095,68 0.397,69 1.672,70 28.731,71 12.603,72 54.572,73 13.55,74 0.595,75 1.867,76 49.489,77 16.339,78 83.125,79 18.656,80 0.686,81 1.693,82 39.584,83 13.971,84 101.126,85 15.189,86 0.352,87 1.571,88 38.938,89 13.586,90 49.873,91 13.822,92 0.897,93 1.495,94 39.216,95 11.65,96 139.91,97 11.327,98 0.405,99 1.21,100 34.084,101 10.806,102 56.521,103 11.635,104 70,105 56,106 0.293,107 0.633,108 0.758,109 0.826,110 0.826,111 0.826,112 3.561,113 1.06,114 -4.49,115 -4.42,116 -4.16,119 42.1,120 4,123 1,142 8,143 3,144 2,145 1,146 1,147 1,152 1,158 1,162 1,172 13,174 1,175 5,178 4,180 3,183 18,187 8,190 1,192 4,195 16,198 1,199 11,204 5,207 9,211 2,212 10,217 6,220 7,224 14,229 5,232 10,236 1,237 8,242 2,245 11,250 5,253 2,258 15,263 7,267 1,271 15,275 2118,276 21.701,277 21.701,278 21.701,279 21.701,280 21.701,281 18.723,282 18.874,283 12.285,284 22.317,285 18.283,286 18.283,287 18.283,288 18.283,289 18.283,290 13.634,291 19.363,292 5.872,293 19.414,294 4.015,295 1.9,296 1.123,297 0.702,298 0.702,299 0.702,300 4.246,302 1,305 1,306 954,307 4.637,310 85.762,311 331.304,314 149.142,318 2.112,319 43.112,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 73.333,331 449,332 4.868,333 4.688,334 7.326,335 4.379,336 3.432,337 4.716,338 1.907,339 12.582,340 3.325,341 4.519,342 3.536,343 7.099,344 4.244,345 3.272,346 4.454,347 0.149,348 11.63,349 3.08,350 4.413,351 3.53,352 6.354,353 4.014,354 3.068,355 3.942,357 9.826,358 2.928,359 4.257,360 3.188,361 6.155,362 3.783,363 2.857,364 3.738,366 9.117,367 2.63,368 3.874,369 3.024,370 5.877,371 3.453,372 2.528,373 3.329,375 8.09,376 2.315,377 3.624,378 2.657,379 5.255,380 3.26,381 2.283,382 2.886,384 6.596,385 2.212,386 3.454,387 2.119,388 5.01,389 3.009,390 2.017,391 2.755,393 5.785,394 1.994,395 3.201,396 2.076,397 4.489,398 2.696,399 1.749,400 2.414,402 4.49,403 1.613,404 3.024,405 1.81,406 4.479,407 2.456,408 1.526,409 2.281,411 4.383,412 1.403,413 2.865,414 1.531,415 4.386,416 2.388,417 1.47,418 2.014,420 4.082,421 1.35,422 2.831,423 1.461,424 4.274,425 2.323,426 1.373,427 1.963,428 3.849,429 1.273,430 2.722,431 1.323,432 4.128,433 2.239,434 1.26,435 1.788,436 3.563,437 1.195,438 2.563,439 1.116,440 3.499,441 2.083,442 1.086,443 1.59,445 2.496,446 1.081,447 1.918,448 0.662,449 3.194,450 1.34,451 0.441,452 0.643,454 1.134,455 0.385,456 1.487,457 0.58,458 3.168,459 1.045,460 0.188,461 0.235,463 0.476,464 0.144,465 16.981,466 0.499,467 1.338,468 0.039,469 46.75,470 1.375,471 25.5,472 0.75,473 21.25,474 0.625,475 32.19,476 0.947,477 35.819,478 0.628,479 38.045,480 1.119,481 8.474,482 0.249,483 7.446,484 0.219,485 0.219,486 0.079,487 0.294,493 0.546,494 1.195,495 0.697,496 1.011,497 0.651,498 0.855,499 0.434,500 0.978,501 0.651,502 0.838,503 0.474,504 0.761,505 0.994,506 1.171,507 1.022,508 1.117,509 0.989,510 1.136,511 0.867,512 0.986,513 0.893,514 0.965,515 0.885,516 0.927,517 0.933,518 0.973,519 0.943,520 0.975,521 0.987,522 0.885,523 1.099,524 1.351,525 1.331,526 1.418,527 0.973,528 1.104,529 2.184,530 0.754,531 1.271,532 0.741,533 2.257,534 0.866,535 1.039,536 0.875,537 0.897,538 0.824,539 1.036,540 0.889,541 11,542 0.321,543 4.889,544 3.042,545 2.244,546 1.969,547 0.843,548 0.687,549 0.53,550 0.371,551 16478,552 51455,553 1.994,554 40.4,555 9,556 8,558 1,559 2,560 3,564 1.76,565 1.805,566 3.681,567 0.235,573 103.639,574 1.818,575 3.933,576 4.709,577 5.13,578 5.13,579 5.13,580 3.125,581 4.653,582 5.057,583 3.869,584 2170.66,585 8.867,586 33208.6,591 332.475,592 1.778,593 4.972,594 0.297,595 0.01,596 0.087,597 0.055,598 0.043,599 0.038,600 0.017,601 0.016,602 0.013,603 0.01,604 0.587,605 0.17,606 0.88,607 1.031,608 182.73,609 0.047,610 -0.077,611 0.117,612 -0.022,613 -0.145,614 0.038,615 0.351,616 0.084,617 0.181,618 0.115,619 0.275,620 0.161,621 -0.111,622 -0.129,623 -0.133,624 -0.133,625 -0.094,626 -0.209,627 0.028,628 -0.027,629 0.133,630 0.06,631 -0.001,632 0.101,633 0.112,634 0.037,635 0.089,636 0.058,637 0.082,638 0.099,639 -0.091,640 -0.301,641 -0.159,642 -0.26,643 0.066,644 -0.116,645 -0.503,646 0.218,647 -0.197,648 0.175,649 -0.418,650 0.038,651 -0.045,652 0.081,653 0.153,654 0.146,655 -0.078,656 0.096,657 4.8,658 6.108,659 0.618,660 37.422,661 1.012,662 1.115,663 3.262,664 10.642,665 0.722,666 3.638,667 4.043,668 4.248,669 4.5,670 4.754,671 4.868,672 4.99,673 5.094,674 5.182,675 5.308,676 7.776,677 0.679,678 515.1,679 3.638,680 5.231,681 6.08,682 6.989,683 7.861,684 8.768,685 9.649,686 10.555,687 11.44,688 12.345,689 7,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 1,731 57,733 25,734 2,735 37,737 60,738 24,739 18,740 5,741 7,746 4,747 5,748 1,752 4,753 1,761 19,762 5,766 3,769 1,771 3,775 1,781 23,782 7,783 2,784 10,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 4,845 1,848 34,852 1,855 2,860 1,863 1,869 1,870 5.3,873 3,877 18.833,878 11.626,879 7.042,880 3.204,881 4.285,882 1.527,883 0.989,884 6.692,885 12.409,886 3.951,887 4.647,888 5.187,889 5.8,890 6.374,891 6.733,892 7.194,893 7.594,894 7.923,895 8.367,896 0.889,897 55,898 12.859,900 5.839,901 7.935,902 23.662,904 19.761,905 2.435,906 82.778,910 247.193,911 182.275,912 67.987,913 39.149,914 69.458,916 37.085,917 145.19,918 355.8,919 67.987,920 35.301,921 18.011,922 81.617,923 135.91,924 25.557,925 42.966,926 266.7,928 247.193,929 213.176,930 69.458,931 76.234,933 247.193,934 69.458,937 65.004,938 98.196,939 55.783,940 70.426,941 247.193,942 137.445,943 221.423,945 5.807,946 247.193,947 56.309,948 120.158,949 34.416,950 142.178,951 247.193,952 137.445,953 221.423,955 0.608,956 0.33,957 0.165,958 0.096,959 28,960 14,961 0.1,962 6,963 1,964 1.095,965 4.304,966 322.374,967 0.095,968 21,969 166.219,970 1,973 1,974 24.588,975 9.254,976 5.595,977 1.622,978 137.445,979 15.679,980 8.568,983 1.351,984 3.296,986 34.416,987 606.061,988 51,991 -3.883,993 37.526,997 -0.189,999 57.702,1000 63.557,1001 0.312,1002 0.674,1003 0.807,1004 0.88,1005 0.88,1006 0.88,1007 5.228,1008 1.749,1009 6.155,1010 5.785,1011 4.727,1012 5.335,1013 1.953,1014 7.045,1015 4.618,1016 6.515,1017 1.526,1018 7.78,1019 4.49,1020 4.691,1021 5.497,1022 1.593,1023 8.337,1024 4.531,1025 7.89,1026 1.47,1027 9.517,1028 4.383,1029 6.482,1030 7.691,1031 2.904,1032 11.329,1033 6.275,1034 9.3,1035 1.373,1036 11.319,1037 4.082,1038 7.179,1039 8.6,1040 3.032,1041 13.383,1042 6.92,1043 10.74,1044 1.26,1045 13.164,1046 3.849,1047 8.562,1048 10.369,1049 4.037,1050 16.006,1051 8.267,1052 12.202,1053 1.086,1054 15.038,1055 3.563,1056 9.553,1057 11.608,1058 4.409,1059 18.337,1060 9.209,1061 13.68,1062 0.441,1063 16.933,1064 2.496,1065 10.803,1066 13.219,1067 5.25,1068 20.861,1069 10.425,1070 3.432,1071 0.188,1072 18.843,1073 1.134,1074 11.914,1075 14.609,1076 5.75,1077 23.295,1078 11.492,1079 3.272,1080 12.582,1081 20.766,1082 0.476,1083 13.122,1084 16.161,1085 6.501,1086 25.796,1087 12.667,1088 3.068,1089 11.63,1090 22.699,1091 4.716,1092 14.282,1093 17.622,1094 7.068,1095 28.272,1096 13.789,1097 2.857,1098 9.826,1099 24.639,1100 4.454,1101 15.48,1102 19.153,1103 7.771,1104 30.773,1105 14.953,1106 2.528,1107 9.117,1108 26.586,1109 3.942,1110 16.664,1111 20.648,1112 8.374,1113 33.267,1114 16.101,1115 2.283,1116 8.09,1117 28.538,1118 3.738,1119 17.862,1120 22.174,1121 9.051,1122 35.772,1123 17.267,1124 2.017,1125 6.596,1126 30.494,1127 3.329,1128 19.057,1129 23.687,1130 9.674,1131 38.277,1132 18.428,1133 15955,1134 28498,1135 23.463,1136 41.154,1137 57.887,1138 59.192,1139 58.573,1140 57.046,1141 57.102,1142 77.498,1143 4.112,1144 176.201,1145 53.857,1146 5.709,1147 6.688,1148 6.865,1149 5.5,1150 5.432,1151 7.716,1152 3.306,1153 20.124,1154 5.325,1155 22.34,1156 1.565,1157 1.6,1158 1.583,1159 1.542,1160 1.543,1161 2.095,1162 0.111,1163 4.762,1164 1.456,1165 4.128,1166 4.13,1167 4.738,1168 4.108,1169 7.717,1170 4.056,1171 4.048,1172 4.047,1173 4.323,1174 4.042,1175 7.43,1176 3.981,1177 3.848,1178 3.877,1179 3.971,1180 3.77,1181 6.999,1182 3.756,1183 3.714,1184 3.724,1185 3.798,1186 3.65,1187 5.056,1188 3.586,1189 3.568,1190 3.613,1191 3.573,1192 3.379,1193 4.938,1194 3.382,1195 3.454,1196 3.48,1197 3.402,1198 3.332,1199 4.707,1200 3.299,1201 3.236,1202 3.267,1203 3.358,1204 3.169,1205 4.413,1206 3.128,1207 2.919,1208 3.009,1209 3.181,1210 2.859,1211 4.223,1212 2.827,1213 0.132,1214 0.127,1215 0.198,1216 0.118,1217 0.093,1218 4.868,1219 0.127,1220 4.688,1221 0.052,1222 7.326,1223 0.34,1224 4.379,1225 0.09,1226 3.432,1227 4.716,1228 1.907,1229 12.582,1230 3.325,1231 2.009,1232 2.008,1233 2.081,1234 2.078,1235 1.307,1236 2.106,1237 1.964,1238 1.948,1239 2.027,1240 2.026,1241 1.19,1242 2.037,1243 1.744,1244 1.726,1245 1.826,1246 1.863,1247 1.037,1248 1.887,1249 1.632,1250 1.606,1251 1.765,1252 1.782,1253 0.876,1254 1.784,1255 1.525,1256 1.482,1257 1.725,1258 1.752,1259 0.738,1260 1.76,1261 1.354,1262 1.359,1263 1.417,1264 1.518,1265 0.537,1266 1.555,1267 1.195,1268 1.168,1269 1.417,1270 1.348,1271 0.469,1272 1.38,1273 0.944,1274 0.936,1275 1.26,1276 1.239,1277 0.469,1278 1.308,1279 4.317,1281 5.7,1282 2.398,1283 7.253,1284 4.727,1285 8.882,1286 6.823,1287 10.552,1289 7.499,1290 6.242,1296 5.262,1301 -0.195,1305 38.7,1306 103.639,1307 224.171,1308 268.436,1309 292.436,1310 292.436,1311 292.436,1312 82.174,1313 8.124,1314 101.05,1315 137.67,1316 23,1317 12.868,1318 4.7,1319 3.907,1320 56.998,1321 158,1322 166,1323 0.175,1324 248.972,1325 424.28,1326 599.252,1327 41197,1328 1.8,1329 24.673,1330 0.726,1331 0.629,1332 25.777,1333 21.399,1334 15.92,1335 0.43,1336 0.353,1337 10.524,1338 13.994,1339 9.841,1340 8.248,1341 17.438,1342 13.075,1343 16.49,1344 0.294,1345 0.212,1346 18.83,1347 11.899,1348 12.119,1349 0.176,1350 0.112,1351 14.312,1352 7.696,1353 9.895,1354 0.111,1355 0.063,1356 12.117,1357 5.58,1358 8.192,1359 0.071,1360 0.036,1361 10.448,1362 4.118,1363 0.277,1364 114.216,1365 0.206,1366 31.472,1367 0.471,1368 186,1369 563.087,1370 279.911,1371 623.189,1372 834.23,1373 572,1374 218,1375 549.881,1376 310.274,1377 625.21,1378 910.4,1379 582,1380 9}
{0 CHEMBL1773734,1 1.818,2 13.765,3 5.178,4 26.81,5 137.846,6 9.037,7 0.595,8 4.143,9 4.235,10 4.019,11 3.807,12 5.261,13 3.742,14 4.668,15 4.806,16 4.409,17 4.203,18 5.989,19 4.133,20 4.9,21 5.041,22 4.445,23 4.369,24 6.118,25 4.259,26 5.066,27 5.279,28 4.456,29 4.366,30 6.207,31 4.225,32 4.947,33 5.151,34 4.344,35 4.228,36 6.204,37 4.114,38 4.748,39 4.941,40 4.321,41 4.158,42 5.871,43 4.036,44 4.698,45 4.817,46 4.324,47 4.11,48 6.089,49 4.022,50 4.789,51 4.963,52 4.186,53 4.018,54 6.113,55 3.916,56 0.114,57 0.842,58 11.224,59 5.523,60 17.599,61 6.023,62 0.457,63 1.363,64 22.009,65 9.437,66 64.266,67 11.095,68 0.397,69 1.672,70 28.731,71 12.603,72 54.582,73 13.55,74 0.595,75 1.865,76 50.015,77 16.376,78 82.629,79 18.665,80 0.732,81 1.651,82 38.792,83 13.487,84 103.919,85 15.106,86 0.287,87 1.399,88 30.905,89 11.75,90 42.442,91 13.475,92 0.422,93 1.331,94 37.578,95 11.51,96 60.266,97 10.536,98 0.875,99 1.329,100 39.63,101 10.94,102 134.196,103 9.59,104 70,105 56,106 0.293,107 0.633,108 0.747,109 0.804,110 0.804,111 0.804,112 3.56,113 1.06,114 -4.49,115 -4.42,116 -4.16,119 42.1,120 4,123 1,142 8,143 3,144 2,145 1,146 1,147 1,152 1,158 1,162 1,172 13,174 1,175 5,178 4,180 3,183 18,187 8,190 1,192 4,195 17,198 1,199 11,204 5,207 11,211 2,212 8,217 5,220 4,224 10,229 3,232 10,236 1,237 14,242 5,245 10,250 4,253 2,258 11,263 5,267 1,271 13,275 2174,276 21.701,277 21.701,278 21.701,279 21.701,280 21.701,281 18.723,282 18.874,283 12.237,284 22.317,285 18.266,286 18.266,287 18.266,288 18.266,289 18.266,290 13.628,291 18.657,292 5.831,293 19.401,294 4.015,295 1.9,296 1.194,297 0.843,298 0.843,299 0.843,300 4.246,302 1,305 1,306 996,307 4.637,310 87.48,311 337.132,314 152.29,318 2.235,319 42.769,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 73.333,331 468,332 4.862,333 4.686,334 7.313,335 4.353,336 3.412,337 4.711,338 1.907,339 12.531,340 3.316,341 4.519,342 3.536,343 7.108,344 4.272,345 3.293,346 4.454,347 0.149,348 11.65,349 3.09,350 4.42,351 3.534,352 6.354,353 4.014,354 3.068,355 3.94,357 9.826,358 2.929,359 4.259,360 3.188,361 6.155,362 3.784,363 2.858,364 3.747,366 9.117,367 2.631,368 3.874,369 3.024,370 5.877,371 3.454,372 2.529,373 3.33,375 8.089,376 2.316,377 3.624,378 2.657,379 5.255,380 3.26,381 2.283,382 2.887,384 6.596,385 2.212,386 3.46,387 2.119,388 4.966,389 3.009,390 2.017,391 2.771,393 5.641,394 1.994,395 3.201,396 2.076,397 4.553,398 2.696,399 1.749,400 2.414,402 4.491,403 1.614,404 3.024,405 1.814,406 4.489,407 2.457,408 1.526,409 2.281,411 4.383,412 1.406,413 2.867,414 1.532,415 4.386,416 2.413,417 1.485,418 2.014,420 4.311,421 1.373,422 2.832,423 1.469,424 4.274,425 2.328,426 1.373,427 1.963,428 3.856,429 1.296,430 2.752,431 1.354,432 4.14,433 2.261,434 1.298,435 1.821,436 3.635,437 1.196,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 1.918,448 0.666,449 3.243,450 1.34,451 0.442,452 0.643,454 1.134,455 0.385,456 1.487,457 0.581,458 3.168,459 1.048,460 0.191,461 0.238,463 0.483,464 0.146,465 16.981,466 0.499,467 1.338,468 0.039,469 46.75,470 1.375,471 25.5,472 0.75,473 21.25,474 0.625,475 31.782,476 0.935,477 35.819,478 0.628,479 37.825,480 1.113,481 8.474,482 0.249,483 7.446,484 0.219,485 0.219,486 0.079,487 0.294,493 0.546,494 1.195,495 0.697,496 1.011,497 0.651,498 0.855,499 0.434,500 0.978,501 0.651,502 0.838,503 0.474,504 0.761,505 0.994,506 1.171,507 1.022,508 1.117,509 0.989,510 1.136,511 0.871,512 1.015,513 0.926,514 1.006,515 0.872,516 0.961,517 0.963,518 0.924,519 0.89,520 0.904,521 1.024,522 0.902,523 0.765,524 1.056,525 0.865,526 0.949,527 0.673,528 0.835,529 1.631,530 1.365,531 1.806,532 1.558,533 1.436,534 1.146,535 2.341,536 0.673,537 1.196,538 0.687,539 2.553,540 0.901,541 11,542 0.313,543 5.111,544 3.042,545 2.049,546 1.691,547 1.127,548 0.617,549 0.501,550 0.398,551 16910,552 52287,553 1.994,554 40.4,555 9,556 8,558 1,559 2,560 3,564 1.758,565 1.805,566 3.724,567 0.235,573 103.639,574 1.818,575 3.933,576 4.639,577 4.99,578 4.99,579 4.99,580 3.206,581 4.536,582 5.055,583 3.922,584 2200.02,585 8.859,586 34025.7,591 332.475,592 1.778,593 4.972,594 0.297,595 0.009,596 0.091,597 0.055,598 0.04,599 0.036,600 0.024,601 0.013,602 0.014,603 0.011,604 0.591,605 0.17,606 0.88,607 1.031,608 183.54,609 0.047,610 -0.077,611 0.117,612 -0.022,613 -0.145,614 0.038,615 0.351,616 0.084,617 0.181,618 0.115,619 0.275,620 0.161,621 -0.111,622 -0.129,623 -0.133,624 -0.133,625 -0.093,626 -0.209,627 0.023,628 -0.056,629 0.1,630 0.018,631 0.012,632 0.066,633 0.088,634 0.057,635 0.073,636 0.066,637 0.044,638 0.08,639 0.041,640 -0.064,641 0.185,642 0.101,643 0.073,644 0.184,645 -0.256,646 -0.278,647 -0.364,648 -0.342,649 -0.038,650 -0.205,651 -0.549,652 0.31,653 -0.147,654 0.238,655 -0.529,656 -0.016,657 4.779,658 5.99,659 0.618,660 39.927,661 1.012,662 1.115,663 3.262,664 10.642,665 0.722,666 3.638,667 4.043,668 4.248,669 4.489,670 4.718,671 4.875,672 5.05,673 5.037,674 5.187,675 5.318,676 8.014,677 0.679,678 515.1,679 3.638,680 5.231,681 6.08,682 6.987,683 7.857,684 8.763,685 9.641,686 10.545,687 11.428,688 12.331,689 7,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 1,731 57,733 25,734 2,735 37,737 60,738 24,739 18,740 5,741 7,746 4,747 5,748 1,752 4,753 1,761 19,762 5,766 3,769 1,771 3,775 1,781 23,782 7,783 2,784 10,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 4,845 1,848 34,852 1,855 2,860 1,863 1,869 1,870 5.3,873 3,877 18.833,878 11.626,879 7.042,880 3.204,881 4.258,882 1.524,883 0.989,884 6.692,885 12.382,886 3.951,887 4.647,888 5.187,889 5.794,890 6.354,891 6.748,892 7.234,893 7.555,894 7.927,895 8.369,896 1,897 55,898 12.848,900 5.824,901 7.935,902 23.662,904 19.761,905 2.435,906 82.778,910 247.193,911 182.275,912 67.987,913 39.149,914 69.458,916 37.085,917 145.19,918 355.8,919 67.987,920 35.301,921 18.011,922 81.617,923 135.91,924 25.557,925 42.966,926 266.7,928 247.193,929 213.176,930 69.458,931 76.234,933 247.193,934 69.458,937 65.004,938 98.196,939 55.783,940 70.426,941 247.193,942 137.445,943 221.423,945 5.807,946 247.193,947 56.309,948 120.158,949 34.416,950 142.178,951 247.193,952 137.445,953 221.423,955 0.609,956 0.331,957 0.163,958 0.09,959 28,960 14,961 0.1,962 6,963 1,964 1.095,965 4.34,966 319.676,967 0.095,968 21,969 162.219,970 1,973 1,974 24.588,975 9.254,976 5.595,977 1.622,978 137.445,979 15.608,980 8.554,983 1.351,984 3.408,986 34.416,987 606.061,988 51,991 -3.863,993 37.283,997 -0.189,999 57.702,1000 63.557,1001 0.312,1002 0.674,1003 0.795,1004 0.856,1005 0.856,1006 0.856,1007 5.228,1008 1.749,1009 6.155,1010 5.641,1011 4.727,1012 5.335,1013 1.953,1014 7.043,1015 4.618,1016 6.515,1017 1.526,1018 7.78,1019 4.491,1020 4.691,1021 5.497,1022 1.593,1023 8.337,1024 4.531,1025 7.89,1026 1.485,1027 9.517,1028 4.383,1029 6.482,1030 7.691,1031 2.904,1032 11.323,1033 6.275,1034 9.3,1035 1.373,1036 11.319,1037 4.311,1038 7.179,1039 8.6,1040 3.032,1041 13.379,1042 6.92,1043 10.74,1044 1.298,1045 13.163,1046 3.856,1047 8.561,1048 10.368,1049 4.037,1050 15.996,1051 8.266,1052 12.201,1053 1,1054 15.036,1055 3.635,1056 9.551,1057 11.606,1058 4.409,1059 18.327,1060 9.207,1061 13.679,1062 0.442,1063 16.93,1064 2.275,1065 10.8,1066 13.217,1067 5.25,1068 20.846,1069 10.422,1070 3.412,1071 0.191,1072 18.84,1073 1.134,1074 11.909,1075 14.605,1076 5.75,1077 23.279,1078 11.488,1079 3.293,1080 12.531,1081 20.763,1082 0.483,1083 13.116,1084 16.156,1085 6.501,1086 25.776,1087 12.661,1088 3.068,1089 11.65,1090 22.695,1091 4.711,1092 14.274,1093 17.616,1094 7.068,1095 28.249,1096 13.781,1097 2.858,1098 9.826,1099 24.634,1100 4.454,1101 15.47,1102 19.146,1103 7.771,1104 30.746,1105 14.944,1106 2.529,1107 9.117,1108 26.58,1109 3.94,1110 16.65,1111 20.64,1112 8.374,1113 33.237,1114 16.089,1115 2.283,1116 8.089,1117 28.531,1118 3.747,1119 17.846,1120 22.165,1121 9.051,1122 35.738,1123 17.253,1124 2.017,1125 6.596,1126 30.487,1127 3.33,1128 19.038,1129 23.676,1130 9.674,1131 38.239,1132 18.411,1133 16363,1134 29106,1135 23.463,1136 41.154,1137 57.845,1138 59.122,1139 58.58,1140 56.997,1141 57.048,1142 77.432,1143 4.112,1144 176.04,1145 53.806,1146 5.7,1147 6.686,1148 6.727,1149 5.474,1150 5.412,1151 7.711,1152 3.306,1153 19.955,1154 5.316,1155 22.547,1156 1.563,1157 1.598,1158 1.583,1159 1.54,1160 1.542,1161 2.093,1162 0.111,1163 4.758,1164 1.454,1165 4.127,1166 4.13,1167 4.738,1168 4.106,1169 7.717,1170 4.055,1171 4.047,1172 4.046,1173 4.323,1174 4.041,1175 7.43,1176 3.979,1177 3.851,1178 3.88,1179 3.971,1180 3.774,1181 6.999,1182 3.759,1183 3.726,1184 3.736,1185 3.804,1186 3.664,1187 5.056,1188 3.604,1189 3.568,1190 3.613,1191 3.573,1192 3.373,1193 4.938,1194 3.38,1195 3.424,1196 3.451,1197 3.402,1198 3.3,1199 4.707,1200 3.262,1201 3.235,1202 3.265,1203 3.337,1204 3.168,1205 4.413,1206 3.124,1207 2.918,1208 3.009,1209 3.181,1210 2.857,1211 4.211,1212 2.825,1213 0.131,1214 0.127,1215 0.198,1216 0.118,1217 0.092,1218 4.862,1219 0.127,1220 4.686,1221 0.052,1222 7.313,1223 0.339,1224 4.353,1225 0.09,1226 3.412,1227 4.711,1228 1.907,1229 12.531,1230 3.316,1231 2.008,1232 2.006,1233 2.081,1234 2.077,1235 1.302,1236 2.105,1237 1.963,1238 1.948,1239 2.027,1240 2.026,1241 1.19,1242 2.037,1243 1.75,1244 1.734,1245 1.823,1246 1.868,1247 1.048,1248 1.895,1249 1.64,1250 1.616,1251 1.763,1252 1.783,1253 0.876,1254 1.784,1255 1.525,1256 1.482,1257 1.725,1258 1.754,1259 0.738,1260 1.76,1261 1.318,1262 1.319,1263 1.417,1264 1.493,1265 0.511,1266 1.528,1267 1.195,1268 1.168,1269 1.417,1270 1.347,1271 0.469,1272 1.379,1273 0.937,1274 0.932,1275 1.257,1276 1.239,1277 0.469,1278 1.308,1279 4.317,1281 5.7,1282 2.398,1283 7.253,1284 4.727,1285 8.881,1286 6.823,1287 10.548,1289 7.625,1290 6.223,1296 5.24,1301 -0.084,1305 38.7,1306 103.639,1307 224.171,1308 264.436,1309 284.436,1310 284.436,1311 284.436,1312 81.261,1313 8.124,1314 101.05,1315 137.67,1316 23,1317 12.855,1318 4.7,1319 3.907,1320 57.077,1321 162,1322 166,1323 0.17,1324 248.972,1325 424.28,1326 599.252,1327 41197,1328 1.8,1329 24.673,1330 0.726,1331 0.629,1332 25.777,1333 21.399,1334 15.92,1335 0.43,1336 0.353,1337 10.524,1338 13.994,1339 9.841,1340 8.247,1341 17.438,1342 13.075,1343 16.478,1344 0.294,1345 0.212,1346 18.818,1347 11.896,1348 12.172,1349 0.176,1350 0.112,1351 14.378,1352 7.735,1353 9.949,1354 0.113,1355 0.063,1356 12.169,1357 5.539,1358 7.843,1359 0.071,1360 0.034,1361 9.952,1362 3.806,1363 0.271,1364 114.216,1365 0.206,1366 31.637,1367 0.454,1368 186,1369 563.087,1370 279.911,1371 623.125,1372 834.21,1373 572,1374 218,1375 549.881,1376 310.274,1377 625.074,1378 910.12,1379 582,1380 9}
{0 CHEMBL1773735,1 2.059,2 12.323,3 3.983,4 15.863,5 119.397,6 10.599,7 0.647,8 3.951,9 4.02,10 3.96,11 3.635,12 5.185,13 3.597,14 4.442,15 4.536,16 4.338,17 4.004,18 5.944,19 3.964,20 4.652,21 4.774,22 4.407,23 4.106,24 6.024,25 4.045,26 4.694,27 4.827,28 4.435,29 4.068,30 6.29,31 3.998,32 4.611,33 4.751,34 4.265,35 3.965,36 6.106,37 3.918,38 4.483,39 4.62,40 4.188,41 3.949,42 5.815,43 3.883,44 4.515,45 4.649,46 4.231,47 3.905,48 5.995,49 3.844,50 4.419,51 4.577,52 4.107,53 3.803,54 5.748,55 3.701,56 0.19,57 0.749,58 5.184,59 4.092,60 26.737,61 3.377,62 0.516,63 1.19,64 10.192,65 6.694,66 63.882,67 6.264,68 0.683,69 1.474,70 18.348,71 9.491,72 93.386,73 7.538,74 0.983,75 1.515,76 29.585,77 10.632,78 146.227,79 8.825,80 0.879,81 1.297,82 23.122,83 9.1,84 121.096,85 7.079,86 0.476,87 1.154,88 15.954,89 7.879,90 55.814,91 7.441,92 0.74,93 1.179,94 20.827,95 8.117,96 90.661,97 7.126,98 0.599,99 1.025,100 26.742,101 8.48,102 78.798,103 7.488,104 39,105 50,106 0.346,107 0.679,108 0.8,109 0.89,110 0.897,111 0.897,112 3.472,113 1.016,114 -3.75,115 -3.71,116 -3.53,119 44.4,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 8,174 1,175 5,178 4,180 3,183 8,187 6,190 1,192 3,195 8,198 1,199 11,204 5,207 5,211 2,212 8,217 5,220 3,224 7,229 2,232 8,236 1,237 8,242 2,245 9,250 4,253 2,258 8,263 4,267 1,271 7,275 1596,276 20.281,277 20.281,278 20.281,279 20.281,280 20.281,281 17.184,282 13.516,283 11.69,284 20.939,285 16.797,286 16.797,287 16.797,288 16.797,289 16.797,290 12.077,291 13.096,292 5.582,293 18.034,294 3.433,295 1.451,296 0.728,297 0.195,298 0.15,299 0.15,300 4.161,302 1,304 1,305 1,306 819,307 3.937,310 75.648,311 294.489,314 131.842,318 1.946,319 51.863,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.833,331 382,332 4.891,333 4.714,334 7.403,335 4.357,336 3.441,337 4.746,338 1.907,339 12.892,340 3.126,341 4.519,342 3.536,343 6.355,344 4.017,345 3.069,346 4.454,347 0.149,348 9.829,349 2.934,350 4.266,351 3.192,352 6.163,353 3.792,354 2.867,355 3.942,357 9.142,358 2.637,359 3.9,360 3.025,361 5.898,362 3.482,363 2.549,364 3.409,366 8.166,367 2.36,368 3.798,369 2.796,370 5.525,371 3.295,372 2.336,373 3.3,375 6.915,376 2.246,377 3.622,378 2.656,379 5.254,380 3.233,381 2.271,382 2.884,384 6.59,385 2.141,386 3.201,387 2.115,388 4.489,389 2.696,390 1.749,391 2.414,393 4.49,394 1.613,395 3.024,396 1.891,397 4.386,398 2.456,399 1.526,400 2.281,402 4.383,403 1.402,404 2.869,405 1.608,406 4.314,407 2.384,408 1.455,409 2.028,411 3.896,412 1.358,413 2.858,414 1.53,415 4.264,416 2.365,417 1.414,418 2.008,420 3.805,421 1.333,422 2.829,423 1.453,424 4.013,425 2.316,426 1.373,427 1.959,428 3.179,429 1.222,430 2.654,431 1.244,432 3.602,433 2.131,434 1.144,435 1.705,436 2.829,437 1.123,438 1.918,439 0.67,440 3.18,441 1.34,442 0.442,443 0.643,445 1.135,446 0.385,447 1.488,448 0.584,449 3.168,450 1.052,451 0.195,452 0.242,454 0.491,455 0.15,456 1.105,457 0.517,458 2.756,459 0.698,460 -0.207,461 -0.252,463 -0.481,464 -0.176,465 15.267,466 0.492,467 1.033,468 0.033,469 45.5,470 1.468,471 25.5,472 0.823,473 20,474 0.645,475 23.961,476 0.773,477 32.133,478 0.714,479 36.43,480 1.175,481 8.752,482 0.282,483 5.973,484 0.193,485 0.164,486 0.055,487 0.328,491 1,493 0.559,494 1.04,495 0.669,496 0.97,497 0.612,498 0.757,499 0.523,500 1.008,501 0.714,502 0.927,503 0.549,504 0.847,505 1.097,506 1.084,507 1.009,508 1.03,509 1.105,510 0.976,511 1.024,512 1.083,513 1.161,514 1.148,515 0.977,516 1.054,517 1.161,518 0.866,519 1.119,520 0.954,521 1.157,522 0.909,523 0.851,524 1.03,525 0.954,526 0.994,527 0.729,528 0.981,529 1.117,530 0.988,531 1.25,532 1.037,533 1.03,534 1.061,535 1.061,536 0.847,537 1.073,538 0.902,539 1.012,540 1.021,541 8.5,542 0.226,543 4.222,544 3.042,545 1.867,546 1.393,547 0.843,548 0.553,549 0.431,550 0.257,551 12905,552 50236,553 2.038,554 31.1,556 8,558 1,559 2,560 3,564 1.736,565 1.869,566 3.58,567 0.321,569 1,573 92.637,574 2.059,575 4.041,576 4.764,577 5.297,578 5.342,579 5.342,580 3.087,581 4.696,582 4.924,583 3.751,584 1744.03,585 8.602,586 24729.8,591 247.133,592 1.663,593 4.859,594 0.25,595 0.009,596 0.084,597 0.061,598 0.039,599 0.032,600 0.02,601 0.014,602 0.013,603 0.009,604 0.53,605 0.33,606 0.88,607 0.938,608 161.281,609 0.001,610 -0.072,611 0.089,612 -0.038,613 -0.114,614 0.043,615 0.21,616 -0.05,617 0.07,618 -0.017,619 0.158,620 -0.009,621 -0.17,622 -0.076,623 -0.071,624 -0.024,625 -0.162,626 -0.06,627 0.07,628 -0.004,629 -0.059,630 -0.072,631 0.131,632 -0.083,633 -0.123,634 0.09,635 -0.126,636 0.035,637 -0.087,638 0.031,639 -0.091,640 -0.149,641 -0.021,642 -0.057,643 -0.014,644 -0.014,645 -0.08,646 -0.012,647 -0.13,648 -0.089,649 -0.057,650 -0.109,651 -0.136,652 0.005,653 0.049,654 0.084,655 -0.123,656 0.014,657 5.123,658 5.963,659 0.677,660 31.143,661 1.037,662 1.116,663 2.52,664 6.349,665 0.757,666 3.555,667 3.932,668 4.174,669 4.454,670 4.654,671 4.745,672 4.898,673 5.011,674 5.112,675 5.231,676 7.185,677 0.733,678 476.97,679 3.555,680 5.13,681 5.984,682 6.887,683 7.759,684 8.664,685 9.544,686 10.449,687 11.334,688 12.239,689 8.9,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 2,731 45,733 25,734 2,735 34,737 48,738 20,739 18,740 5,741 7,746 4,747 5,748 1,752 1,761 19,762 1,766 3,769 1,771 3,775 1,779 1,781 14,782 8,783 2,784 11,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 1,846 1,848 31,852 1,855 2,863 1,869 2,870 6.7,873 3,877 16.583,878 8.519,879 6.569,880 2.434,881 4.229,882 1.535,883 1.028,884 5.931,885 12.131,886 3.892,887 4.588,888 5.144,889 5.775,890 6.309,891 6.65,892 7.13,893 7.561,894 7.902,895 8.342,896 1,897 50,898 11.848,900 5.604,901 8.194,902 21,904 17.449,905 2.694,906 83.528,910 141.253,911 161.734,912 67.987,913 39.149,914 69.458,915 14.96,916 37.085,917 124.649,918 249.86,919 82.947,920 8.825,921 18.011,922 81.617,923 135.91,924 31.492,925 57.926,926 160.76,928 141.253,929 192.636,930 84.418,931 76.234,933 156.213,934 69.458,937 38.528,938 104.132,939 55.783,940 70.426,941 156.213,942 137.445,943 200.883,945 5.807,946 141.253,947 62.244,948 93.683,949 34.416,950 157.138,951 141.253,952 152.405,953 200.883,955 0.597,956 0.336,957 0.181,958 0.097,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.126,966 284.383,967 0.095,968 21,969 151.58,970 1,973 1,974 21.628,975 8.501,976 4.69,977 1.532,978 152.405,979 13.481,980 8.388,983 1.308,984 0.385,986 34.416,987 494.541,988 48,991 -4.206,993 36.46,997 -0.215,999 46.68,1000 50.236,1001 0.375,1002 0.736,1003 0.867,1004 0.965,1005 0.973,1006 0.973,1007 5.145,1008 1.526,1009 6.023,1010 4.49,1011 4.615,1012 5.276,1013 1.953,1014 6.891,1015 4.478,1016 6.417,1017 1.455,1018 7.626,1019 4.383,1020 4.443,1021 5.394,1022 1.593,1023 8.061,1024 4.205,1025 7.781,1026 1.414,1027 9.337,1028 3.896,1029 6.308,1030 7.639,1031 2.904,1032 11.115,1033 6.031,1034 9.184,1035 1.373,1036 11.114,1037 3.805,1038 6.909,1039 8.538,1040 3.032,1041 13.119,1042 6.512,1043 10.618,1044 1.144,1045 12.935,1046 3.179,1047 8.325,1048 10.329,1049 4.037,1050 15.78,1051 7.89,1052 12.077,1053 0.442,1054 14.789,1055 2.829,1056 9.263,1057 11.573,1058 4.409,1059 18.113,1060 8.706,1061 13.556,1062 0.195,1063 16.668,1064 1.135,1065 10.525,1066 13.198,1067 5.25,1068 20.675,1069 9.914,1070 3.441,1071 -0.207,1072 18.567,1073 0.491,1074 11.611,1075 14.598,1076 5.75,1077 23.138,1078 10.886,1079 3.069,1080 12.892,1081 20.482,1082 -0.481,1083 12.824,1084 16.161,1085 6.501,1086 25.681,1087 12.029,1088 2.867,1089 9.829,1090 22.412,1091 4.746,1092 13.976,1093 17.632,1094 7.068,1095 28.196,1096 13.074,1097 2.549,1098 9.142,1099 24.352,1100 4.454,1101 15.178,1102 19.173,1103 7.771,1104 30.74,1105 14.195,1106 2.336,1107 8.166,1108 26.302,1109 3.942,1110 16.362,1111 20.678,1112 8.374,1113 33.277,1114 15.276,1115 2.271,1116 6.915,1117 28.26,1118 3.409,1119 17.566,1120 22.213,1121 9.051,1122 35.825,1123 16.391,1124 1.749,1125 6.59,1126 30.225,1127 3.3,1128 18.767,1129 23.735,1130 9.674,1131 38.372,1132 17.491,1133 12398,1134 24660,1135 22.076,1136 34.046,1137 52.141,1138 54.13,1139 53.674,1140 51.725,1141 51.662,1142 72.032,1143 4.112,1144 155.484,1145 48.056,1146 5.729,1147 6.714,1148 7.086,1149 5.479,1150 5.441,1151 7.746,1152 3.306,1153 20.652,1154 5.126,1155 18.056,1156 1.534,1157 1.592,1158 1.579,1159 1.521,1160 1.519,1161 2.119,1162 0.121,1163 4.573,1164 1.413,1165 4.12,1166 4.123,1167 4.739,1168 4.097,1169 8.201,1170 4.049,1171 4.042,1172 4.032,1173 4.323,1174 4.034,1175 7.716,1176 3.96,1177 3.822,1178 3.851,1179 3.971,1180 3.744,1181 7.43,1182 3.737,1183 3.603,1184 3.625,1185 3.704,1186 3.518,1187 6.999,1188 3.447,1189 3.552,1190 3.554,1191 3.573,1192 3.36,1193 5.055,1194 3.364,1195 3.237,1196 3.268,1197 3.402,1198 3.17,1199 4.938,1200 3.129,1201 2.92,1202 2.962,1203 3.181,1204 2.859,1205 4.614,1206 2.827,1207 2.9,1208 2.956,1209 2.829,1210 2.733,1211 4.413,1212 2.735,1213 0.144,1214 0.139,1215 0.218,1216 0.128,1217 0.101,1218 4.891,1219 0.14,1220 4.714,1221 0.056,1222 7.403,1223 0.379,1224 4.357,1225 0.092,1226 3.441,1227 4.746,1228 1.907,1229 12.892,1230 3.126,1231 1.989,1232 1.985,1233 2.028,1234 2.063,1235 1.197,1236 2.082,1237 1.933,1238 1.932,1239 1.966,1240 1.997,1241 1.14,1242 2.016,1243 1.717,1244 1.693,1245 1.768,1246 1.832,1247 0.889,1248 1.829,1249 1.525,1250 1.482,1251 1.726,1252 1.772,1253 0.738,1254 1.762,1255 1.404,1256 1.436,1257 1.261,1258 1.553,1259 0.562,1260 1.593,1261 1.195,1262 1.168,1263 1.196,1264 1.348,1265 0.431,1266 1.38,1267 0.945,1268 0.937,1269 1.118,1270 1.068,1271 0.196,1272 1.081,1273 0.861,1274 0.805,1275 1.073,1276 1.029,1277 0.146,1278 1.045,1279 4.234,1281 5.595,1282 2.398,1283 7.136,1284 4.727,1285 8.762,1286 6.823,1287 10.433,1289 1.404,1290 6.084,1291 13.963,1296 4.944,1305 32.976,1306 92.637,1307 181.849,1308 214.379,1309 238.379,1310 240.379,1311 240.379,1312 76.155,1313 7.902,1314 101.05,1315 137.67,1316 23,1317 12.761,1318 4.7,1319 3.907,1320 49.49,1321 134,1322 138,1323 0.181,1324 211.801,1325 361.15,1326 508.555,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.59,1332 22.406,1333 18.277,1334 14.725,1335 0.433,1336 0.339,1337 8.944,1338 12.708,1339 8.513,1340 7.029,1341 15.833,1342 11.52,1343 14.432,1344 0.289,1345 0.19,1346 16.238,1347 9.52,1348 11.231,1349 0.175,1350 0.107,1351 13.031,1352 6.848,1353 9.671,1354 0.114,1355 0.061,1356 11.331,1357 5.144,1358 7.505,1359 0.072,1360 0.033,1361 9.513,1362 3.484,1363 0.285,1364 107.915,1365 0.213,1366 29.11,1367 0.492,1368 168,1369 631.198,1370 265.742,1371 656.165,1372 864.75,1373 602,1374 198,1375 560.214,1376 296.409,1377 623.413,1378 912.59,1379 583,1380 9}
{0 CHEMBL1773736,1 2.059,2 12.355,3 3.983,4 15.863,5 119.397,6 10.599,7 0.647,8 3.951,9 4.02,10 3.96,11 3.635,12 5.184,13 3.597,14 4.442,15 4.536,16 4.338,17 4.004,18 5.95,19 3.964,20 4.651,21 4.774,22 4.359,23 4.107,24 6.033,25 4.039,26 4.677,27 4.816,28 4.412,29 4.068,30 6.036,31 3.989,32 4.621,33 4.755,34 4.321,35 3.965,36 6.302,37 3.926,38 4.483,39 4.62,40 4.167,41 3.949,42 5.8,43 3.878,44 4.501,45 4.64,46 4.158,47 3.906,48 5.876,49 3.835,50 4.433,51 4.586,52 4.183,53 3.802,54 5.877,55 3.712,56 0.19,57 0.749,58 5.184,59 4.092,60 26.626,61 3.377,62 0.516,63 1.19,64 10.192,65 6.694,66 62.41,67 6.264,68 0.701,69 1.439,70 18.446,71 9.458,72 91.248,73 7.532,74 0.739,75 1.429,76 29.604,77 10.618,78 102.746,79 8.854,80 1.063,81 1.349,82 23.096,83 9.108,84 160.294,85 7.338,86 0.494,87 1.145,88 15.886,89 7.887,90 59.221,91 7.363,92 0.608,93 1.116,94 21.127,95 8.071,96 74.301,97 7.351,98 0.73,99 1.088,100 26.441,101 8.527,102 96.139,103 7.264,104 39,105 50,106 0.346,107 0.679,108 0.808,109 0.897,110 0.897,111 0.897,112 3.472,113 1.016,114 -3.75,115 -3.71,116 -3.53,119 44.4,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 7,174 1,175 5,178 4,180 3,183 9,187 8,190 1,192 4,195 8,198 1,199 9,204 4,207 5,211 2,212 8,217 5,220 4,224 8,229 2,232 9,236 1,237 7,242 2,245 8,250 4,253 2,258 9,263 4,267 1,271 6,275 1613,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.438,283 11.645,284 20.907,285 16.809,286 16.809,287 16.809,288 16.809,289 16.809,290 12.096,291 13.91,292 5.586,293 18.062,294 3.433,295 1.451,296 0.683,297 0.15,298 0.15,299 0.15,300 4.161,302 1,304 1,305 1,306 821,307 3.937,310 76.047,311 295.795,314 132.57,318 1.979,319 50.906,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.833,331 383,332 4.863,333 4.687,334 7.315,335 4.323,336 3.404,337 4.713,338 1.907,339 12.546,340 3.102,341 4.518,342 3.536,343 6.354,344 4.015,345 3.068,346 4.454,347 0.149,348 9.827,349 2.931,350 4.262,351 3.189,352 6.155,353 3.786,354 2.861,355 3.939,357 9.12,358 2.633,359 3.89,360 3.024,361 5.878,362 3.47,363 2.539,364 3.405,366 8.098,367 2.346,368 3.813,369 2.864,370 5.255,371 3.321,372 2.374,373 3.312,375 6.601,376 2.251,377 3.622,378 2.657,379 5.212,380 3.25,381 2.279,382 2.885,384 6.482,385 2.168,386 3.201,387 2.116,388 4.622,389 2.697,390 1.75,391 2.415,393 4.503,394 1.616,395 3.025,396 1.962,397 4.489,398 2.526,399 1.589,400 2.282,402 4.45,403 1.472,404 3.009,405 1.619,406 4.386,407 2.454,408 1.526,409 2.197,411 4.383,412 1.399,413 2.851,414 1.526,415 4.274,416 2.341,417 1.388,418 2,420 3.857,421 1.318,422 2.822,423 1.435,424 4.131,425 2.299,426 1.372,427 1.946,428 3.644,429 1.209,430 2.61,431 1.18,432 3.488,433 2.101,434 1.108,435 1.653,436 2.529,437 1.097,438 1.918,439 0.662,440 3.188,441 1.34,442 0.441,443 0.643,445 1.134,446 0.385,447 1.487,448 0.58,449 3.168,450 1.045,451 0.189,452 0.235,454 0.476,455 0.144,456 1.105,457 0.393,458 2.756,459 0.695,460 -0.227,461 -0.274,463 -0.631,464 -0.206,465 15.267,466 0.492,467 1.05,468 0.034,469 45.5,470 1.468,471 25.5,472 0.823,473 20,474 0.645,475 23.85,476 0.769,477 32.133,478 0.714,479 36.278,480 1.17,481 8.737,482 0.282,483 5.972,484 0.193,485 0.164,486 0.055,487 0.328,491 1,493 0.559,494 1.04,495 0.669,496 0.97,497 0.613,498 0.757,499 0.523,500 1.008,501 0.714,502 0.927,503 0.539,504 0.847,505 1.142,506 1.028,507 1.092,508 1.023,509 1.098,510 1.008,511 1.051,512 1.058,513 1.122,514 1.152,515 1.063,516 1.051,517 0.921,518 0.84,519 1.054,520 0.953,521 0.918,522 0.892,523 0.874,524 0.983,525 0.988,526 0.991,527 0.753,528 1.01,529 1.105,530 0.964,531 1.308,532 1.034,533 0.953,534 1.069,535 1.073,536 0.873,537 1.011,538 0.905,539 1.1,540 1.013,541 9,542 0.217,543 4,544 2.667,545 2.107,546 1.337,547 0.802,548 0.593,549 0.382,550 0.292,551 13013,552 51068,553 2.038,554 31.1,556 8,558 1,559 2,560 3,564 1.736,565 1.869,566 3.6,567 0.321,569 1,573 92.637,574 2.059,575 4.041,576 4.808,577 5.342,578 5.342,579 5.342,580 3.087,581 4.696,582 4.924,583 3.766,584 1751.23,585 8.6,586 24931.5,591 247.133,592 1.663,593 4.859,594 0.265,595 0.008,596 0.08,597 0.054,598 0.046,599 0.029,600 0.02,601 0.015,602 0.011,603 0.01,604 0.538,605 0.33,606 0.88,607 0.938,608 161.525,609 0.001,610 -0.072,611 0.089,612 -0.038,613 -0.115,614 0.043,615 0.21,616 -0.05,617 0.07,618 -0.017,619 0.169,620 -0.009,621 -0.216,622 -0.018,623 -0.157,624 -0.017,625 -0.157,626 -0.092,627 -0.12,628 -0.13,629 -0.014,630 -0.083,631 -0.124,632 -0.051,633 0.181,634 0.171,635 -0.061,636 0.038,637 0.218,638 0.038,639 -0.114,640 -0.101,641 -0.056,642 -0.053,643 -0.04,644 -0.044,645 -0.197,646 -0.108,647 -0.185,648 -0.09,649 -0.11,650 -0.095,651 -0.01,652 0.108,653 0.108,654 0.086,655 -0.069,656 -0.001,657 4.979,658 5.614,659 0.677,660 31.779,661 1.037,662 1.116,663 2.52,664 6.349,665 0.757,666 3.555,667 3.932,668 4.159,669 4.431,670 4.673,671 4.745,672 4.905,673 4.997,674 5.112,675 5.231,676 7.251,677 0.733,678 476.97,679 3.555,680 5.13,681 5.979,682 6.878,683 7.749,684 8.648,685 9.529,686 10.428,687 11.313,688 12.211,689 8.9,694 1,696 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,730 2,731 45,733 25,734 2,735 34,737 48,738 20,739 18,740 5,741 7,746 4,747 5,748 1,752 1,761 19,762 1,766 3,769 1,771 3,775 1,779 1,781 14,782 8,783 2,784 11,785 3,790 4,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 2,844 1,845 1,846 1,848 31,852 1,855 2,863 1,869 2,870 6.7,873 3,877 16.583,878 8.519,879 6.542,880 2.427,881 4.2,882 1.532,883 1.028,884 5.931,885 12.102,886 3.892,887 4.588,888 5.135,889 5.759,890 6.326,891 6.653,892 7.142,893 7.544,894 7.903,895 8.342,896 1,897 49,898 11.788,900 5.516,901 8.194,902 21,904 17.444,905 2.694,906 83.528,910 141.253,911 161.734,912 67.987,913 39.149,914 69.458,915 14.96,916 37.085,917 124.649,918 249.86,919 82.947,920 8.825,921 18.011,922 81.617,923 135.91,924 31.492,925 57.926,926 160.76,928 141.253,929 192.636,930 84.418,931 76.234,933 156.213,934 69.458,937 38.528,938 104.132,939 55.783,940 70.426,941 156.213,942 137.445,943 200.883,945 5.807,946 141.253,947 62.244,948 93.683,949 34.416,950 157.138,951 141.253,952 152.405,953 200.883,955 0.598,956 0.331,957 0.174,958 0.101,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.143,966 283.152,967 0.095,968 21,969 151.58,970 1,973 1,974 21.628,975 8.501,976 4.847,977 1.546,978 152.405,979 13.156,980 8.407,983 1.314,984 0.959,986 34.416,987 494.541,988 48,991 -4.063,993 36.469,997 -0.212,999 46.68,1000 50.236,1001 0.375,1002 0.736,1003 0.876,1004 0.973,1005 0.973,1006 0.973,1007 5.145,1008 1.589,1009 6.019,1010 4.503,1011 4.615,1012 5.276,1013 1.953,1014 6.874,1015 4.478,1016 6.417,1017 1.526,1018 7.614,1019 4.45,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.205,1025 7.779,1026 1.388,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.053,1033 6.026,1034 9.179,1035 1.372,1036 11.082,1037 3.857,1038 6.889,1039 8.524,1040 3.032,1041 13.026,1042 6.497,1043 10.61,1044 1.108,1045 12.892,1046 3.644,1047 8.302,1048 10.315,1049 4.037,1050 15.661,1051 7.874,1052 12.064,1053 0.441,1054 14.735,1055 2.529,1056 9.224,1057 11.549,1058 4.409,1059 17.963,1060 8.679,1061 13.538,1062 0.189,1063 16.602,1064 1.134,1065 10.48,1066 13.172,1067 5.25,1068 20.494,1069 9.885,1070 3.404,1071 -0.227,1072 18.489,1073 0.476,1074 11.551,1075 14.564,1076 5.75,1077 22.926,1078 10.847,1079 3.068,1080 12.546,1081 20.392,1082 -0.631,1083 12.755,1084 16.123,1085 6.501,1086 25.437,1087 11.986,1088 2.861,1089 9.827,1090 22.309,1091 4.713,1092 13.894,1093 17.587,1094 7.068,1095 27.921,1096 13.022,1097 2.539,1098 9.12,1099 24.237,1100 4.454,1101 15.086,1102 19.123,1103 7.771,1104 30.433,1105 14.137,1106 2.374,1107 8.098,1108 26.174,1109 3.939,1110 16.256,1111 20.62,1112 8.374,1113 32.94,1114 15.21,1115 2.279,1116 6.601,1117 28.119,1118 3.405,1119 17.449,1120 22.15,1121 9.051,1122 35.458,1123 16.319,1124 1.75,1125 6.482,1126 30.071,1127 3.312,1128 18.637,1129 23.665,1130 9.674,1131 37.975,1132 17.411,1133 12499,1134 24955,1135 22.076,1136 34.046,1137 52.255,1138 53.773,1139 53.477,1140 51.828,1141 51.777,1142 72.159,1143 4.112,1144 155.3,1145 48.143,1146 5.698,1147 6.687,1148 6.865,1149 5.444,1150 5.404,1151 7.713,1152 3.306,1153 19.987,1154 5.102,1155 18.161,1156 1.537,1157 1.582,1158 1.573,1159 1.524,1160 1.523,1161 2.122,1162 0.121,1163 4.568,1164 1.416,1165 4.119,1166 4.122,1167 4.738,1168 4.097,1169 8.201,1170 4.049,1171 4.041,1172 4.031,1173 4.323,1174 4.034,1175 7.717,1176 3.959,1177 3.822,1178 3.852,1179 3.971,1180 3.744,1181 7.43,1182 3.737,1183 3.608,1184 3.626,1185 3.716,1186 3.517,1187 6.999,1188 3.45,1189 3.554,1190 3.558,1191 3.573,1192 3.36,1193 5.055,1194 3.365,1195 3.237,1196 3.268,1197 3.402,1198 3.17,1199 4.938,1200 3.129,1201 2.92,1202 2.962,1203 3.182,1204 2.859,1205 4.593,1206 2.827,1207 2.896,1208 2.954,1209 2.822,1210 2.733,1211 4.413,1212 2.734,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.863,1219 0.139,1220 4.687,1221 0.056,1222 7.315,1223 0.369,1224 4.323,1225 0.091,1226 3.404,1227 4.713,1228 1.907,1229 12.546,1230 3.102,1231 1.989,1232 1.986,1233 2.028,1234 2.063,1235 1.198,1236 2.083,1237 1.934,1238 1.932,1239 1.963,1240 1.997,1241 1.142,1242 2.016,1243 1.717,1244 1.693,1245 1.768,1246 1.832,1247 0.888,1248 1.828,1249 1.525,1250 1.482,1251 1.725,1252 1.772,1253 0.738,1254 1.762,1255 1.398,1256 1.433,1257 1.261,1258 1.554,1259 0.546,1260 1.588,1261 1.195,1262 1.168,1263 1.196,1264 1.348,1265 0.431,1266 1.38,1267 0.944,1268 0.937,1269 1.104,1270 1.068,1271 0.195,1272 1.078,1273 0.859,1274 0.804,1275 1.073,1276 1.029,1277 0.133,1278 1.045,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.75,1286 6.823,1287 10.411,1289 1.406,1290 6.095,1291 13.442,1296 5.008,1305 32.976,1306 92.637,1307 181.849,1308 216.379,1309 240.379,1310 240.379,1311 240.379,1312 75.373,1313 7.902,1314 101.05,1315 137.67,1316 23,1317 12.737,1318 4.7,1319 3.907,1320 49.499,1321 135,1322 138,1323 0.179,1324 211.801,1325 361.15,1326 508.555,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.59,1332 22.406,1333 18.277,1334 14.708,1335 0.433,1336 0.339,1337 8.938,1338 12.664,1339 8.505,1340 7.019,1341 15.833,1342 11.514,1343 14.532,1344 0.291,1345 0.192,1346 16.238,1347 9.579,1348 11.157,1349 0.177,1350 0.108,1351 13.031,1352 6.792,1353 9.352,1354 0.113,1355 0.061,1356 11.331,1357 5.07,1358 7.736,1359 0.073,1360 0.033,1361 9.513,1362 3.544,1363 0.283,1364 107.814,1365 0.213,1366 29.159,1367 0.486,1368 168,1369 631.198,1370 265.742,1371 656.285,1372 864.11,1373 602,1374 197,1375 559.214,1376 292.184,1377 622.499,1378 908.63,1379 582,1380 8.959}
{0 CHEMBL1789941,1 1.454,2 8.217,3 2.741,4 7.514,5 87.719,6 7.473,7 0.577,8 3.83,9 3.964,10 3.419,11 3.379,12 4.917,13 3.361,14 4.393,15 4.579,16 3.766,17 3.812,18 5.342,19 3.761,20 4.662,21 4.912,22 3.726,23 3.893,24 5.519,25 3.793,26 4.671,27 4.931,28 3.794,29 3.896,30 5.617,31 3.814,32 4.649,33 4.893,34 3.712,35 3.876,36 5.675,37 3.777,38 4.555,39 4.837,40 3.475,41 3.656,42 5.585,43 3.543,44 4.166,45 4.425,46 3.14,47 3.392,48 5.114,49 3.28,50 4.06,51 4.274,52 3.265,53 3.408,54 5.073,55 3.326,56 0.041,57 0.682,58 8.241,59 3.401,60 9.986,61 4.712,62 0.131,63 1.111,64 15.972,65 6.023,66 16.474,67 8.592,68 0.168,69 1.289,70 23.327,71 7.929,72 29.134,73 11.904,74 0.319,75 1.31,76 24.085,77 7.725,78 35.496,79 11.607,80 0.191,81 1.284,82 22.816,83 7.672,84 37.649,85 11.491,86 0.341,87 1.111,88 22.197,89 6.431,90 46.383,91 9.929,92 0.152,93 0.763,94 14.408,95 4.675,96 28.391,97 7.021,98 0.105,99 0.743,100 11.964,101 4.393,102 18.547,103 6.355,104 4,105 36,106 0.253,107 0.65,108 0.797,109 0.84,110 0.84,111 0.84,112 3.189,113 0.93,114 -3.52,115 -3.5,116 -3.34,119 41.5,121 5,122 1,127 1,142 1,143 2,145 1,146 1,148 1,151 2,158 1,161 1,166 1,172 6,174 1,175 8,178 1,180 2,183 7,187 6,195 3,198 3,199 8,202 1,204 1,207 4,211 1,212 6,220 2,223 2,224 5,227 2,232 4,237 2,245 4,249 1,250 5,255 2,258 4,263 3,268 2,271 2,275 634,276 16.215,277 16.215,278 16.215,279 16.215,280 16.215,281 14.344,282 6.822,283 9.756,284 16.506,285 12.839,286 12.839,287 12.839,288 12.839,289 12.839,290 10.007,291 4.471,292 4.518,293 13.317,294 3.904,295 1.625,296 0.78,297 0.537,298 0.537,299 0.537,300 3.888,303 1,304 1,305 1,306 419,307 2.828,310 170.596,311 59.764,314 89.897,318 1.338,319 15.978,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49,331 189,332 4.587,333 4.046,334 6.708,335 4.141,336 3.169,337 4.516,338 2.308,339 10.904,340 3.079,341 4.226,342 3.197,343 6.498,344 3.961,345 2.991,346 3.803,348 10.176,349 2.904,350 3.822,351 3.047,352 5.787,353 3.498,354 2.526,355 3.076,357 7.9,358 2.452,359 3.452,360 2.526,361 5.228,362 3.085,363 2.119,364 2.582,366 6.277,367 2.044,368 3.369,369 2.156,370 4.594,371 2.625,372 1.661,373 2.322,375 4.488,376 1.598,377 3.048,378 1.721,379 4.13,380 2.479,381 1.548,382 2.077,384 3.65,385 1.438,386 2.878,387 1.548,388 3.907,389 2.216,390 1.255,391 1.857,393 3.132,394 1.202,395 2.5,396 1.345,397 3.404,398 2.076,399 1.09,400 1.5,402 2.231,403 1.073,404 2.395,405 1.107,406 3.312,407 1.947,408 1,409 1.287,411 2.201,412 0.945,413 2.169,414 1,415 3.28,416 1.666,417 0.73,418 1.035,420 1.733,421 0.681,422 1.922,423 0.737,424 3.122,425 1.618,426 0.618,427 0.652,428 1.372,429 0.618,430 1.735,431 0.618,432 3,433 1.389,434 0.447,435 0.618,436 1.129,437 0.42,438 1.618,439 0.443,440 2.786,441 1.273,442 0.315,443 0.42,445 0.628,446 0.301,447 0.902,448 0.204,449 2.429,450 0.402,451 -0.539,452 -0.751,454 -1.225,455 -0.505,456 0.693,457 -0.551,458 2.188,459 0.209,460 -0.743,461 -1.039,463 -1.489,464 -0.705,465 10.9,466 0.474,467 0.393,468 0.017,469 30.5,470 1.326,471 15,472 0.652,473 15.5,474 0.674,475 18.157,476 0.789,477 23.9,478 0.583,479 18.79,480 0.817,481 5.394,482 0.235,483 5.971,484 0.26,485 0.037,487 0.312,493 0.766,494 1.309,495 0.758,496 1.077,497 0.43,498 0.944,499 0.858,500 1.159,501 0.92,502 1.086,503 0.486,504 1.025,505 0.927,506 1.137,507 0.95,508 1.069,509 0.691,510 1.023,511 0.927,512 0.81,513 0.856,514 0.799,515 0.718,516 0.814,517 0.971,518 1.162,519 1.026,520 1.129,521 0.966,522 1.093,523 1.158,524 0.826,525 1.069,526 0.89,527 1.744,528 0.954,529 1.165,530 0.874,531 1.085,532 0.927,533 1.718,534 0.983,535 0.894,536 1.064,537 1.019,538 1.098,539 0.791,540 1.08,541 3,542 0.037,543 2.667,544 1.215,545 0.733,546 0.647,547 0.376,548 0.172,549 0.136,550 0.096,551 5727,552 13930,553 2.196,554 43.9,555 8,556 2,557 2,558 2,559 1,560 2,561 1,564 1.66,565 2.123,566 3.049,567 -0.284,568 1,569 1,571 1,573 59.604,574 1.454,575 3.732,576 4.577,577 4.821,578 4.821,579 4.821,580 2.392,581 3.762,582 4.498,583 3.233,584 817.862,585 7.757,586 9238.71,587 1,588 1,590 1,591 219.66,592 1.121,593 4.483,594 0.115,595 0.004,596 0.074,597 0.037,598 0.02,599 0.02,600 0.016,601 0.01,602 0.006,603 0.005,604 0.308,605 0.33,606 1,607 0.787,608 106.314,609 0.081,610 -0.125,611 0.074,612 -0.046,613 0.165,614 0.003,615 0.035,616 -0.064,617 -0.03,618 -0.078,619 0.037,620 -0.066,621 -0.043,622 -0.179,623 0.016,624 -0.073,625 0.018,626 -0.029,627 0.102,628 0.166,629 0.135,630 0.167,631 0.055,632 0.157,633 -0.037,634 -0.184,635 -0.064,636 -0.146,637 0.006,638 -0.115,639 0.014,640 0.129,641 -0.044,642 0.033,643 -0.207,644 -0.006,645 -0.215,646 0.088,647 -0.107,648 0.053,649 -0.279,651 -0.033,652 -0.032,653 -0.1,654 -0.089,655 0.035,656 -0.101,657 1.167,658 3.18,659 0.826,660 17.149,661 0.998,662 1.134,663 2.291,664 5.25,665 0.673,666 3.296,667 3.611,668 3.951,669 4.263,670 4.357,671 4.489,672 4.625,673 4.71,674 4.71,675 4.787,676 5.368,677 0.641,678 306.41,679 3.296,680 4.828,681 5.7,682 6.589,683 7.478,684 8.373,685 9.267,686 10.164,687 11.061,688 11.959,689 14.6,697 2,698 1,699 3,703 2,704 5,705 3,706 1,709 2,710 1,711 15,731 41,733 16,735 26,737 44,738 17,739 9,746 4,747 5,755 4,756 1,758 6,760 1,761 9,762 7,763 1,777 1,778 1,781 18,782 4,783 1,784 6,790 6,794 0.75,803 1,806 1,807 1,811 3,812 1,815 1,822 1,840 3,848 23,854 5,858 2,861 1,866 1,868 1,877 10.833,878 7.333,879 5.139,880 2.704,881 3.068,882 1.427,883 1.004,884 3.749,885 10.256,886 3.597,887 4.167,888 4.804,889 5.449,890 5.872,891 6.293,892 6.75,893 7.161,894 7.331,895 7.705,896 1,897 33,898 8.479,900 3.648,901 7.623,902 16.561,904 14.166,905 2.123,906 48.833,909 1,910 200.109,911 84.742,912 99.856,917 84.742,918 200.109,919 99.856,921 12.673,922 27.571,923 92.093,924 75.803,925 23.542,926 153.024,928 200.109,929 184.598,933 188.338,934 11.771,937 84.432,938 49.931,939 50.234,941 200.109,942 99.856,943 84.742,946 200.109,947 22.903,948 47.014,949 33.387,950 81.293,951 200.109,952 99.856,953 84.742,955 0.568,956 0.35,957 0.21,958 0.101,959 19,960 7,961 0.091,962 4,963 1,964 1.105,965 3.584,966 191.674,967 0.105,968 19,969 100.042,974 14.267,975 6.043,976 2.59,977 1.817,978 81.293,979 9.272,980 13.183,981 3.103,984 1.85,985 1.967,986 16.786,987 384.706,988 35.5,999 40.912,1000 46.481,1001 0.271,1002 0.697,1003 0.854,1004 0.9,1005 0.9,1006 0.9,1007 4.834,1008 1.09,1009 5.666,1010 3.132,1011 4.29,1012 4.852,1013 2.456,1014 6.503,1015 4.221,1016 6.03,1017 1,1018 7.231,1019 2.231,1020 3.761,1021 4.543,1023 7.455,1024 3.677,1025 7.332,1026 0.73,1027 8.903,1028 2.201,1029 5.889,1030 7.063,1031 4.057,1032 10.603,1033 5.76,1034 8.675,1035 0.618,1036 10.642,1037 1.733,1038 6.312,1039 7.752,1041 12.43,1042 6.168,1043 10.056,1044 0.447,1045 12.425,1046 1.372,1047 7.808,1048 9.634,1049 5.715,1050 15.058,1051 7.624,1052 11.462,1053 0.315,1054 14.236,1055 1.129,1056 8.636,1057 10.767,1059 17.205,1060 8.432,1061 12.888,1062 -0.539,1063 16.067,1064 0.628,1065 9.902,1066 12.41,1067 7.386,1068 19.668,1069 9.663,1070 3.169,1071 -0.743,1072 17.911,1073 -1.225,1074 10.903,1075 13.744,1077 21.942,1078 10.64,1079 2.991,1080 10.904,1081 19.764,1082 -1.489,1083 12.082,1084 15.294,1085 9.058,1086 24.345,1087 11.787,1088 2.526,1089 10.176,1090 21.625,1091 4.516,1092 13.157,1093 16.718,1095 26.673,1096 12.836,1097 2.119,1098 7.9,1099 23.491,1100 3.803,1101 14.306,1102 18.234,1103 10.731,1104 29.055,1105 13.954,1106 1.661,1107 6.277,1108 25.362,1109 3.076,1110 15.414,1111 19.698,1113 31.406,1114 15.034,1115 1.548,1116 4.488,1117 27.237,1118 2.582,1119 16.552,1120 21.202,1121 12.404,1122 33.782,1123 16.143,1124 1.255,1125 3.65,1126 29.114,1127 2.322,1128 17.675,1129 22.686,1131 36.144,1132 17.238,1133 5381,1134 8528,1135 18.087,1136 27.603,1137 39.944,1138 41.503,1139 39.513,1140 38.945,1141 38.937,1142 51.489,1143 4.616,1144 111.644,1145 37.51,1146 5.535,1147 6.046,1148 6.468,1149 5.219,1150 5.169,1151 7.516,1152 4.616,1153 18.123,1154 5.04,1155 6.146,1156 1.536,1157 1.596,1158 1.52,1159 1.498,1160 1.498,1161 1.98,1162 0.178,1163 4.294,1164 1.443,1165 4.127,1166 4.174,1167 4.094,1168 3.992,1169 6.818,1170 4.012,1171 3.958,1172 4.016,1173 3.884,1174 3.825,1175 5.142,1176 3.825,1177 3.765,1178 3.828,1179 3.661,1180 3.603,1181 4.892,1182 3.616,1183 3.473,1184 3.534,1185 3.382,1186 3.327,1187 4.472,1188 3.33,1189 3.275,1190 3.356,1191 3.202,1192 3.035,1193 4.253,1194 3.067,1195 2.972,1196 3.048,1197 2.871,1198 2.787,1199 3.92,1200 2.795,1201 2.869,1202 2.979,1203 2.675,1204 2.671,1205 3.676,1206 2.635,1207 2.775,1208 2.857,1209 2.583,1210 2.544,1211 3.345,1212 2.571,1213 0.176,1214 0.156,1215 0.258,1216 0.159,1217 0.122,1218 4.587,1219 0.174,1220 4.046,1221 0.089,1222 6.708,1223 0.419,1224 4.141,1225 0.118,1226 3.169,1227 4.516,1228 2.308,1229 10.904,1230 3.079,1231 1.858,1232 1.826,1233 1.968,1234 2.003,1235 1.375,1236 1.982,1237 1.778,1238 1.726,1239 1.888,1240 1.952,1241 1.211,1242 1.943,1243 1.577,1244 1.507,1245 1.86,1246 1.751,1247 1.022,1248 1.793,1249 1.473,1250 1.402,1251 1.64,1252 1.708,1253 0.853,1254 1.697,1255 1.367,1256 1.305,1257 1.608,1258 1.568,1259 0.604,1260 1.585,1261 1.315,1262 1.271,1263 1.459,1264 1.456,1265 0.55,1266 1.453,1267 1.145,1268 1.058,1269 1.287,1270 1.442,1271 0.259,1272 1.414,1273 0.868,1274 0.789,1275 1.089,1276 1.123,1277 0.094,1278 1.12,1279 3.97,1281 5.283,1282 3.434,1283 6.788,1284 5.638,1285 8.389,1286 7.609,1287 10.043,1295 5.413,1299 0.722,1303 9.18,1304 2.326,1305 26.289,1306 59.604,1307 153.03,1308 187.66,1309 197.66,1310 197.66,1311 197.66,1312 30.916,1313 7.188,1314 83.18,1315 83.18,1316 21,1317 12.483,1318 4.087,1319 3.392,1320 31.766,1321 76,1322 62,1323 0.213,1324 161.613,1325 265.4,1326 386.096,1327 11900,1329 15.648,1330 0.68,1331 0.557,1332 15.648,1333 12.813,1334 11.365,1335 0.437,1336 0.31,1337 7.965,1338 10.956,1339 7.841,1340 6.475,1341 11.365,1342 8.061,1343 9.78,1344 0.272,1345 0.171,1346 9.78,1347 6.145,1348 8.732,1349 0.171,1350 0.094,1351 8.732,1352 4.813,1353 7.808,1354 0.112,1355 0.052,1356 7.808,1357 3.656,1358 5.501,1359 0.071,1360 0.026,1361 5.501,1362 1.983,1363 0.326,1364 70.932,1365 0.235,1366 22.279,1367 0.606,1368 124,1369 324.558,1370 134.102,1371 323.385,1372 451.16,1373 304,1374 149,1375 343.124,1376 160.435,1377 347.666,1378 506.56,1379 328,1380 5}
{0 CHEMBL179242,1 1.577,2 7.762,3 1.248,4 1.557,5 80.062,6 7.815,7 0.25,8 3.723,9 3.83,10 3.353,11 3.261,12 4.803,13 3.264,14 4.281,15 4.439,16 3.722,17 3.661,18 5.351,19 3.65,20 4.515,21 4.712,22 3.786,23 3.814,24 5.549,25 3.773,26 4.48,27 4.688,28 3.681,29 3.749,30 5.58,31 3.681,32 4.417,33 4.649,34 3.549,35 3.611,36 5.452,37 3.547,38 4.26,39 4.456,40 3.407,41 3.445,42 5.384,43 3.406,44 4.136,45 4.314,46 3.208,47 3.364,48 5.298,49 3.287,50 4.062,51 4.3,52 2.791,53 3.255,54 4.864,55 3.078,56 0.024,57 0.548,58 6.71,59 3.123,60 4.145,61 3.89,62 0.273,63 0.917,64 13.925,65 5.144,66 16.888,67 6.459,68 0.318,69 1.108,70 19.074,71 6.704,72 23.996,73 8.852,74 0.293,75 1.072,76 18.287,77 6.743,78 32.016,79 9.223,80 0.266,81 0.963,82 18.329,83 6.258,84 29.345,85 8.653,86 0.271,87 0.793,88 15.37,89 5.112,90 33.175,91 6.367,92 0.374,93 0.689,94 13.209,95 4.746,96 40.332,97 5.847,98 0.098,99 0.622,100 12.704,101 5.464,102 16.352,103 7.472,104 2,105 34,106 0.285,107 0.636,108 0.765,109 0.805,110 0.825,111 0.835,112 3.105,113 0.883,114 -3.91,115 -3.87,116 -3.67,119 44.4,125 4,135 2,137 1,139 1,142 4,143 2,158 2,172 7,174 3,175 7,183 8,186 1,187 4,195 5,198 3,199 8,207 3,211 1,212 7,220 2,224 5,232 2,236 2,237 3,245 1,250 2,263 3,275 493,276 14.637,277 14.637,278 14.637,279 14.637,280 14.637,281 13.323,282 17.281,283 8.697,284 15.035,285 11.881,286 11.881,287 11.881,288 11.881,289 11.881,290 9.726,291 21.171,292 4.144,293 12.502,294 3.593,295 1.657,296 0.944,297 0.722,298 0.611,299 0.556,300 3.81,304 1,305 1,306 366,307 1.871,311 162.33,315 124.454,318 1.129,319 18.126,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 163,332 4.547,333 3.754,334 6.814,335 4.191,336 3.234,337 4.101,338 1.261,339 11.27,340 3.103,341 4.109,342 3.151,343 6.165,344 3.757,345 2.805,346 3.53,347 0.938,348 9.122,349 2.684,350 3.724,351 3.057,352 5.954,353 3.486,354 2.527,355 2.858,356 0.86,357 8.264,358 2.395,359 3.387,360 2.433,361 5.102,362 2.91,363 1.93,364 2.594,365 0.703,366 5.77,367 1.888,368 3.1,369 2.284,370 4.547,371 2.727,372 1.806,373 2.248,374 0.236,375 4.669,376 1.661,377 2.936,378 1.878,379 4.249,380 2.544,381 1.552,382 1.96,384 3.782,385 1.529,386 2.723,387 1.559,388 3.629,389 2.255,390 1.275,391 1.745,393 2.926,394 1.244,395 2.488,396 1.412,397 3.583,398 2.033,399 1.133,400 1.386,402 2.732,403 1.011,404 2.215,405 1.256,406 3.375,407 1.952,408 1,409 1.108,411 2.136,412 0.946,413 2,414 1.043,415 3.247,416 1.786,417 0.813,418 1,420 1.961,421 0.787,422 1.582,423 0.589,424 2.802,425 0.933,426 -0.057,427 -0.082,428 -0.151,429 -0.056,430 0.964,431 -0.076,432 2.709,433 0.586,434 -0.395,435 -0.494,436 -1.05,437 -0.386,438 0.787,439 -0.348,440 2.335,441 0.427,442 -0.586,443 -0.734,445 -1.395,446 -0.589,447 0.596,448 -0.36,449 2.261,450 0.252,451 -0.7,452 -0.811,454 -1.716,455 -0.662,456 0.244,457 -0.497,458 2,459 0.011,460 -0.967,461 -1,463 -2.347,464 -0.846,465 9.867,466 0.47,467 0.432,468 0.021,469 26.75,470 1.274,471 12,472 0.571,473 14.75,474 0.702,475 14.755,476 0.703,477 21.933,478 0.609,479 18.493,480 0.881,481 5.525,482 0.263,483 4.801,484 0.229,485 0.034,487 0.334,493 0.762,494 1.454,495 0.694,496 1.127,497 0.547,498 0.936,499 1.104,500 1.006,501 0.918,502 0.867,503 0.664,504 0.858,505 1.08,506 1.013,507 0.948,508 0.857,509 0.875,510 0.868,511 0.71,512 1.098,513 0.972,514 1.073,515 0.932,516 1.063,517 0.897,518 0.984,519 0.904,520 0.936,521 1.062,522 0.91,523 1.627,524 0.983,525 1.168,526 0.966,527 2.074,528 0.979,529 1.379,530 0.891,531 1.384,532 1.073,533 2.051,534 1.207,535 0.558,536 1.117,537 1.161,538 1.416,539 0.525,540 1.414,541 3,543 2.444,544 1.188,545 1.262,546 0.854,547 0.327,548 0.134,549 0.053,550 0.023,551 4268,552 10951,553 2.215,554 41.7,556 14,557 1,564 1.637,565 2.136,566 2.974,567 -0.75,568 1,569 1,571 1,573 56.759,574 1.577,575 3.513,576 4.225,577 4.448,578 4.559,579 4.614,580 2.412,581 4.107,582 4.366,583 3.048,584 640.135,585 7.505,586 6499.67,587 1,588 1,591 186.117,592 1.166,593 4.35,594 0.125,596 0.072,597 0.033,598 0.041,599 0.032,600 0.014,601 0.007,602 0.005,603 0.005,604 0.333,605 0.83,606 1,607 0.418,608 92.287,609 -0.022,610 -0.326,611 0.084,612 -0.139,613 -0.021,614 -0.035,615 -0.04,616 0.101,617 -0.025,618 0.069,619 -0.006,620 0.026,621 -0.108,622 0.026,623 -0.007,624 0.094,625 -0.027,626 0.067,627 0.098,628 -0.067,629 -0.041,630 -0.118,631 0.059,632 -0.108,633 0.007,634 0.005,635 0.084,636 0.017,637 -0.013,638 0.063,639 -0.284,640 0.001,641 -0.167,642 -0.025,643 -0.226,644 -0.061,645 -0.051,646 0.086,647 -0.417,648 -0.11,649 -0.192,650 -0.288,651 0.04,652 -0.263,653 -0.208,654 -0.368,655 -0.027,656 -0.341,657 1.716,658 5.351,659 0.952,660 13.261,661 1.007,662 1.122,663 2.682,664 7.193,665 0.68,666 3.219,667 3.555,668 3.892,669 4.205,670 4.511,671 4.605,672 4.779,673 4.898,674 5.017,675 4.956,676 4.667,677 0.657,678 281.34,679 3.219,680 4.762,681 5.638,682 6.532,683 7.427,684 8.33,685 9.232,686 10.139,687 11.045,688 11.954,689 8.3,692 1,696 1,698 1,704 4,709 2,711 6,731 36,733 10,734 1,735 24,737 39,738 16,739 6,740 2,741 4,742 6,746 4,747 7,761 12,762 4,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 15,782 5,784 5,790 3,791 1,794 0.5,795 2,812 4,816 2,827 1,831 2,836 1,839 1,840 2,848 21,854 4,856 1,859 2,870 5.6,873 1,874 1,877 9.833,878 6.517,879 4.556,880 2.211,881 2.475,882 1.338,883 1.027,884 3.04,885 9.801,886 3.466,887 3.998,888 4.593,889 5.17,890 5.719,891 6.034,892 6.454,893 6.818,894 7.191,895 7.343,896 1,897 36,898 7.779,900 3.388,901 7.683,902 14.993,904 12.63,905 2.183,906 45.833,907 0.001,910 176.567,911 95.033,912 23.034,914 36.145,917 95.033,918 212.711,919 23.034,921 25.568,922 56.857,923 43.177,924 28.609,925 11.771,926 164.795,928 176.567,929 118.067,930 36.145,933 176.567,934 25.145,935 11,937 36.43,938 62.684,939 18.952,941 176.567,942 59.179,943 95.033,946 176.567,947 29.128,948 72.154,950 52.93,951 176.567,952 59.179,953 95.033,955 0.58,956 0.351,957 0.202,958 0.116,959 19,960 7,961 0.026,962 1,963 2,964 1.2,965 3.345,966 174.85,967 0.2,968 20,969 88.239,974 12.659,975 5.044,976 2.158,978 59.179,979 7.988,984 2.079,987 330.778,988 31,993 12.351,995 5.336,996 4.721,997 1.397,999 36.262,1000 40.405,1001 0.305,1002 0.679,1003 0.817,1004 0.86,1005 0.882,1006 0.893,1007 4.723,1008 1.133,1009 5.617,1010 2.926,1011 4.234,1012 4.682,1013 2.089,1014 6.46,1015 4.143,1016 5.906,1017 1,1018 7.188,1019 2.732,1020 3.761,1021 4.331,1022 0.57,1023 7.413,1024 3.636,1025 7.206,1026 0.813,1027 8.865,1028 2.136,1029 5.844,1030 6.771,1031 2.088,1032 10.567,1033 5.665,1034 8.541,1035 -0.057,1036 10.607,1037 1.961,1038 6.236,1039 7.279,1040 0.941,1041 12.371,1042 6.021,1043 9.913,1044 -0.395,1045 12.39,1046 -0.151,1047 7.762,1048 9.164,1049 2.23,1050 15.03,1051 7.499,1052 11.311,1053 -0.586,1054 14.2,1055 -1.05,1056 8.564,1057 10.101,1058 1.365,1059 17.176,1060 8.263,1061 12.73,1062 -0.7,1063 16.03,1064 -1.395,1065 9.859,1066 11.733,1067 2.464,1068 19.668,1069 9.514,1070 3.234,1071 -0.967,1072 17.874,1073 -1.716,1074 10.852,1075 12.892,1076 1.834,1077 21.96,1078 10.469,1079 2.805,1080 11.27,1081 19.729,1082 -2.347,1083 12.055,1084 14.404,1085 2.764,1086 24.396,1087 11.63,1088 2.527,1089 9.122,1090 21.592,1091 4.101,1092 13.138,1093 15.679,1094 2.322,1095 26.754,1096 12.673,1097 1.93,1098 8.264,1099 23.461,1100 3.53,1101 14.308,1102 17.133,1103 3.112,1104 29.173,1105 13.802,1106 1.806,1107 5.77,1108 25.337,1109 2.858,1110 15.431,1111 18.468,1112 2.817,1113 31.561,1114 14.885,1115 1.552,1116 4.669,1117 27.217,1118 2.594,1119 16.591,1120 19.896,1121 3.493,1122 33.977,1123 16.005,1124 1.275,1125 3.782,1126 29.101,1127 2.248,1128 17.735,1129 21.263,1130 3.312,1131 36.38,1132 17.109,1133 3990,1134 6490,1135 16.701,1136 24.495,1137 37.207,1138 37.663,1139 36.663,1140 36.115,1141 36.148,1142 45.061,1143 7.997,1144 105.267,1145 34.494,1146 5.547,1147 5.754,1148 6.616,1149 5.295,1150 5.234,1151 7.101,1152 2.387,1153 18.664,1154 5.103,1155 5.265,1156 1.55,1157 1.569,1158 1.528,1159 1.505,1160 1.506,1161 1.878,1162 0.333,1163 4.386,1164 1.437,1165 4.039,1166 4.073,1167 4.003,1168 3.949,1169 7.429,1170 3.955,1171 3.807,1172 3.855,1173 3.726,1174 3.637,1175 4.886,1176 3.655,1177 3.609,1178 3.648,1179 3.523,1180 3.417,1181 4.645,1182 3.435,1183 3.294,1184 3.343,1185 3.191,1186 3.182,1187 4.505,1188 3.177,1189 3.111,1190 3.206,1191 2.945,1192 2.941,1193 4.196,1194 2.91,1195 2.99,1196 3.023,1197 2.866,1198 2.858,1199 3.822,1200 2.863,1201 2.895,1202 2.94,1203 2.801,1204 2.625,1205 3.549,1206 2.662,1207 2.672,1208 2.75,1209 2.508,1210 2.448,1211 3.474,1212 2.459,1213 0.189,1214 0.156,1215 0.284,1216 0.175,1217 0.135,1218 4.547,1219 0.171,1220 3.754,1221 0.053,1222 6.814,1223 0.47,1224 4.191,1225 0.129,1226 3.234,1227 4.101,1228 1.261,1229 11.27,1230 3.103,1231 1.986,1232 1.96,1233 2.068,1234 2.098,1235 1.218,1236 2.087,1237 1.748,1238 1.7,1239 1.929,1240 1.954,1241 1.166,1242 1.951,1243 1.542,1244 1.499,1245 1.685,1246 1.743,1247 0.825,1248 1.728,1249 1.29,1250 1.246,1251 1.513,1252 1.439,1253 0.735,1254 1.455,1255 1.153,1256 1.064,1257 1.478,1258 1.376,1259 0.536,1260 1.429,1261 0.955,1262 0.914,1263 1.164,1264 1.116,1265 0.258,1266 1.127,1267 0.766,1268 0.72,1269 1.045,1270 1.102,1271 0.188,1272 1.069,1273 0.645,1274 0.57,1275 0.933,1276 0.903,1277 0.025,1278 0.916,1279 3.892,1281 5.22,1283 6.777,1285 8.436,1287 10.148,1295 2.897,1297 5.356,1300 3.707,1305 23.655,1306 56.759,1307 126.466,1308 152.117,1309 160.117,1310 164.117,1311 166.117,1312 25.616,1313 7.326,1314 46.84,1315 46.84,1316 24,1317 12.471,1318 3.459,1319 3,1320 27.836,1321 59,1322 58,1323 0.24,1324 142.558,1325 257.12,1326 339.601,1327 14021,1329 14.234,1330 0.678,1331 0.549,1332 14.234,1333 11.528,1334 10.326,1335 0.43,1336 0.294,1337 6.946,1338 9.863,1339 6.847,1340 5.591,1341 10.326,1342 7.067,1343 9.22,1344 0.271,1345 0.151,1346 9.22,1347 5.149,1348 8.235,1349 0.172,1350 0.081,1351 8.235,1352 3.879,1353 7.241,1354 0.11,1355 0.042,1356 7.241,1357 2.768,1358 6.252,1359 0.069,1360 0.022,1361 6.252,1362 1.955,1363 0.359,1364 65.057,1365 0.245,1366 20.265,1367 0.713,1368 116,1369 340.406,1370 128.42,1371 323.545,1372 449.96,1373 306,1374 140,1375 335.78,1376 153.255,1377 336.832,1378 501.93,1379 319,1380 4}
{0 CHEMBL1796263,1 1.669,2 9.375,3 4.526,4 20.488,5 93.292,6 8.932,7 0.63,8 3.767,9 3.846,10 3.544,11 3.44,12 4.95,13 3.405,14 4.273,15 4.39,16 3.96,17 3.839,18 5.466,19 3.79,20 4.47,21 4.604,22 4.064,23 3.929,24 5.691,25 3.869,26 4.522,27 4.672,28 3.983,29 3.899,30 5.741,31 3.807,32 4.413,33 4.581,34 3.772,35 3.806,36 5.573,37 3.69,38 4.375,39 4.56,40 3.654,41 3.637,42 5.769,43 3.541,44 4.11,45 4.288,46 3.517,47 3.46,48 5.281,49 3.386,50 4.107,51 4.296,52 3.268,53 3.363,54 5.255,55 3.3,56 0.045,57 0.538,58 5.529,59 3.517,60 5.867,61 3.782,62 0.208,63 0.916,64 11.959,65 6.092,66 14.188,67 6.347,68 0.255,69 1.158,70 17.659,71 7.98,72 27.677,73 8.062,74 0.423,75 1.195,76 22.252,77 9.031,78 44.389,79 8.628,80 0.259,81 1.067,82 21.837,83 8.821,84 35.995,85 9.082,86 0.592,87 1.064,88 20.489,89 7.851,90 86.318,91 8.1,92 0.189,93 0.79,94 14.193,95 5.925,96 23.456,97 6.46,98 0.263,99 0.766,100 13.263,101 5.474,102 32.313,103 5.896,104 10,105 39,106 0.295,107 0.599,108 0.741,109 0.874,110 0.896,111 0.896,112 3.229,113 0.926,114 -5.09,115 -4.99,116 -4.67,119 50,124 1,125 1,142 9,143 2,144 3,152 2,158 1,172 7,174 1,175 5,183 11,187 8,195 6,199 7,207 5,212 3,220 8,223 2,224 3,232 5,237 4,245 5,250 4,258 4,263 1,271 6,275 748,276 16.292,277 16.292,278 16.292,279 16.292,280 16.292,281 14.191,282 17.308,283 9.448,284 16.702,285 13.311,286 13.311,287 13.311,288 13.311,289 13.311,290 10.03,291 21.96,292 4.484,293 14.015,294 3.579,295 1.86,296 1.054,297 0.303,298 0.178,299 0.178,300 3.926,304 1,305 1,306 497,307 3.082,310 39.57,311 176.217,314 72.663,315 86.974,318 1.458,319 26.776,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 52,331 225,332 4.567,333 3.723,334 6.755,335 4.171,336 3.225,337 4.266,338 1.2,339 11.073,340 3.046,341 4.265,342 3.324,343 6.502,344 3.946,345 2.987,346 3.777,347 1.151,348 9.974,349 2.858,350 4.005,351 2.966,352 5.861,353 3.557,354 2.599,355 3.6,356 0.293,357 8.157,358 2.483,359 3.701,360 2.654,361 5.553,362 3.289,363 2.326,364 3.061,366 7.071,367 2.237,368 3.311,369 2.489,370 4.987,371 2.917,372 1.974,373 2.56,375 5.718,376 1.839,377 3.024,378 2.197,379 4.773,380 2.69,381 1.775,382 2.163,384 5.067,385 1.612,386 2.898,387 1.707,388 4.35,389 2.428,390 1.44,391 2.069,393 3.714,394 1.417,395 2.759,396 1.487,397 3.829,398 2.297,399 1.352,400 1.846,402 3.118,403 1.263,404 2.611,405 1.443,406 3.595,407 2.1,408 1.123,409 1.624,411 2.577,412 1.082,413 2.354,414 1.03,415 3.491,416 1.842,417 0.898,418 1.286,420 2.361,421 0.834,422 1.87,423 0.981,424 3.231,425 1.452,426 0.527,427 0.663,428 1.327,429 0.465,430 1.8,431 0.752,432 3.134,433 1.353,434 0.397,435 0.533,436 0.938,437 0.379,438 0.927,439 0.19,440 2.417,441 0.492,442 -0.406,443 -0.51,445 -0.9,446 -0.349,447 0.853,448 -0.119,449 2.327,450 0.465,451 -0.48,452 -0.601,454 -1.194,455 -0.444,456 0.674,457 -0.498,458 2.281,459 0.257,460 -0.701,461 -0.889,463 -1.845,464 -0.661,465 11.686,466 0.487,467 0.627,468 0.026,469 33.75,470 1.406,471 18.5,472 0.771,473 15.25,474 0.635,475 17.445,476 0.727,477 24.314,478 0.64,479 23.472,480 0.978,481 6.721,482 0.28,483 4.91,484 0.205,485 0.096,487 0.377,491 1,493 0.608,494 0.913,495 0.646,496 0.845,497 0.52,498 0.802,499 0.817,500 0.822,501 0.771,502 0.772,503 0.581,504 0.758,505 1.007,506 1.077,507 0.986,508 1.106,509 0.919,510 0.999,511 1.149,512 0.909,513 1.29,514 1.152,515 1.167,516 1.065,517 0.924,518 1.02,519 1.399,520 1.277,521 1.027,522 1.122,523 1.058,524 0.962,525 1.228,526 1.031,527 1.313,528 1.031,529 0.813,530 1.037,531 0.871,532 1.074,533 0.877,534 1.009,535 1.264,536 0.959,537 0.953,538 0.88,539 1.098,540 0.997,541 4.5,542 0.074,543 3.111,544 1.944,545 1.579,546 0.73,547 0.514,548 0.306,549 0.208,550 0.095,551 6426,552 19449,553 2.135,554 36.8,556 14,564 1.669,565 2,566 3.243,567 -0.782,573 63.408,574 1.669,575 3.388,576 4.194,577 4.945,578 5.07,579 5.07,580 2.705,581 4.054,582 4.559,583 3.357,584 926.61,585 7.868,586 10589.8,588 1,591 199.421,592 1.406,593 4.518,594 0.167,595 0.006,596 0.08,597 0.049,598 0.045,599 0.024,600 0.02,601 0.013,602 0.01,603 0.006,604 0.42,605 0.67,606 1,607 0.566,608 112.847,609 -0.018,610 -0.06,611 0.058,612 0.009,613 -0.046,614 0.018,615 -0.028,616 0.079,617 0.087,618 0.146,619 0.01,620 0.108,621 -0.067,622 -0.097,623 0.007,624 -0.113,625 -0.036,626 -0.089,627 -0.098,628 0.008,629 -0.133,630 -0.074,631 -0.113,632 -0.115,633 -0.085,634 -0.106,635 -0.188,636 -0.15,637 -0.065,638 -0.106,639 0.151,640 0.103,641 -0.121,642 0.006,643 0.121,644 -0.043,645 0.015,646 -0.169,647 0.09,648 -0.111,649 0.019,650 -0.018,651 -0.176,652 -0.019,653 -0.129,654 -0.011,655 -0.109,656 -0.033,657 2.028,658 5.759,659 0.792,660 17.833,661 1.014,662 1.107,663 3.864,664 14.929,665 0.732,666 3.332,667 3.689,668 4.007,669 4.29,670 4.533,671 4.625,672 4.771,673 4.905,674 4.97,675 4.984,676 5.616,677 0.703,678 339.41,679 3.332,680 4.89,681 5.765,682 6.661,683 7.552,684 8.453,685 9.352,686 10.256,687 11.158,688 12.065,689 2.6,696 1,704 9,708 1,709 7,711 17,719 1,729 1,730 1,731 38,733 18,734 2,735 27,737 41,738 19,739 16,740 4,741 8,742 1,746 4,747 7,761 17,762 2,766 1,771 1,775 1,778 1,779 1,781 14,782 4,784 5,785 1,790 1,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,844 1,846 1,848 24,854 1,856 1,859 1,865 1,869 1,870 5.3,873 1,875 1,877 12,878 7.343,879 5.167,880 2.183,881 3.139,882 1.419,883 1.034,884 3.851,885 10.628,886 3.624,887 4.252,888 4.867,889 5.449,890 5.945,891 6.216,892 6.577,893 6.966,894 7.278,895 7.549,896 1,897 40,898 8.906,900 3.914,901 7.882,902 16.796,904 14.071,905 2.382,906 57.167,910 164.795,911 160.466,912 3.124,914 36.145,915 14.96,916 31.278,917 129.189,918 200.94,919 18.084,920 8.396,921 7.717,922 85.286,923 29.85,924 34.492,925 17.677,926 196.073,928 164.795,929 132.313,930 51.105,931 31.278,933 179.756,934 36.145,937 7.717,938 124.596,940 31.278,941 179.756,942 39.269,943 160.466,946 164.795,947 66.784,948 96.807,950 51.105,951 164.795,952 54.229,953 160.466,955 0.591,956 0.356,957 0.193,958 0.105,959 21,960 9,961 0.049,962 2,963 2,964 1.211,965 3.601,966 205.171,967 0.211,968 19,969 110.039,970 1,974 15.34,975 6.024,976 2.748,978 54.229,979 15.702,983 1.448,984 4.707,987 379.491,988 36.5,993 12.759,997 -0.155,999 38.531,1000 42.083,1001 0.318,1002 0.646,1003 0.799,1004 0.942,1005 0.966,1006 0.966,1007 4.869,1008 1.352,1009 5.765,1010 3.714,1011 4.369,1012 4.938,1013 1.876,1014 6.613,1015 4.267,1016 6.09,1017 1.123,1018 7.349,1019 3.118,1020 4.007,1021 4.732,1022 0.325,1023 7.567,1024 3.843,1025 7.407,1026 0.898,1027 9.034,1028 2.577,1029 5.999,1030 7.138,1031 2.085,1032 10.703,1033 5.801,1034 8.76,1035 0.527,1036 10.777,1037 2.361,1038 6.463,1039 7.754,1040 0.653,1041 12.48,1042 6.194,1043 10.145,1044 0.397,1045 12.558,1046 1.327,1047 7.93,1048 9.619,1049 2.336,1050 15.134,1051 7.632,1052 11.554,1053 -0.406,1054 14.364,1055 0.938,1056 8.766,1057 10.623,1058 1.001,1059 17.247,1060 8.396,1061 12.979,1062 -0.48,1063 16.188,1064 -0.9,1065 10.03,1066 12.254,1067 2.602,1068 19.732,1069 9.626,1070 3.225,1071 -0.701,1072 18.026,1073 -1.194,1074 11.037,1075 13.458,1076 1.37,1077 21.992,1078 10.563,1079 2.987,1080 11.073,1081 19.875,1082 -1.845,1083 12.223,1084 14.979,1085 2.878,1086 24.414,1087 11.708,1088 2.599,1089 9.974,1090 21.732,1091 4.266,1092 13.307,1093 16.288,1094 1.754,1095 26.741,1096 12.725,1097 2.326,1098 8.157,1099 23.596,1100 3.777,1101 14.466,1102 17.759,1103 3.162,1104 29.139,1105 13.836,1106 1.974,1107 7.071,1108 25.465,1109 3.6,1110 15.585,1111 19.124,1112 2.143,1113 31.498,1114 14.893,1115 1.775,1116 5.718,1117 27.339,1118 3.061,1119 16.736,1120 20.573,1121 3.453,1122 33.888,1123 15.992,1124 1.44,1125 5.067,1126 29.216,1127 2.56,1128 17.873,1129 21.97,1130 2.535,1131 36.263,1132 17.069,1133 6051,1134 10643,1135 18.205,1136 27.83,1137 41.884,1138 42.83,1139 42.79,1140 41.331,1141 41.245,1142 54.893,1143 5.287,1144 122.188,1145 39.033,1146 5.452,1147 5.723,1148 6.438,1149 5.3,1150 5.225,1151 7.266,1152 2.351,1153 18.368,1154 5.046,1155 10.297,1156 1.551,1157 1.586,1158 1.585,1159 1.531,1160 1.528,1161 2.033,1162 0.196,1163 4.525,1164 1.446,1165 4.058,1166 4.063,1167 4.294,1168 4.053,1169 8.201,1170 4.01,1171 3.913,1172 3.942,1173 3.867,1174 3.827,1175 7.428,1176 3.83,1177 3.715,1178 3.731,1179 3.759,1180 3.688,1181 4.909,1182 3.658,1183 3.41,1184 3.468,1185 3.336,1186 3.192,1187 4.651,1188 3.217,1189 3.121,1190 3.162,1191 3.132,1192 2.934,1193 4.458,1194 2.916,1195 2.898,1196 2.957,1197 2.828,1198 2.768,1199 4.241,1200 2.757,1201 2.896,1202 2.944,1203 2.772,1204 2.733,1205 3.999,1206 2.734,1207 2.757,1208 2.83,1209 2.688,1210 2.639,1211 3.609,1212 2.609,1213 0.169,1214 0.138,1215 0.25,1216 0.154,1217 0.119,1218 4.567,1219 0.158,1220 3.723,1221 0.044,1222 6.755,1223 0.41,1224 4.171,1225 0.113,1226 3.225,1227 4.266,1228 1.2,1229 11.073,1230 3.046,1231 1.929,1232 1.917,1233 2.014,1234 2.012,1235 1.166,1236 2.015,1237 1.889,1238 1.861,1239 1.99,1240 2.004,1241 1.076,1242 2.001,1243 1.58,1244 1.562,1245 1.708,1246 1.712,1247 0.875,1248 1.712,1249 1.427,1250 1.41,1251 1.621,1252 1.592,1253 0.715,1254 1.608,1255 1.191,1256 1.13,1257 1.309,1258 1.332,1259 0.554,1260 1.379,1261 0.925,1262 0.881,1263 1.165,1264 1.107,1265 0.29,1266 1.135,1267 0.86,1268 0.804,1269 1.12,1270 1.068,1271 0.179,1272 1.079,1273 0.774,1274 0.705,1275 1.028,1276 0.979,1277 0.137,1278 1.003,1279 4.007,1281 5.352,1282 2.398,1283 6.899,1284 4.727,1285 8.535,1286 6.862,1287 10.218,1289 1.653,1291 13.393,1295 0.458,1297 5.736,1300 1.465,1305 26.709,1306 63.408,1307 128.753,1308 159.382,1309 187.911,1310 192.666,1311 192.666,1312 39.492,1313 7.489,1314 29.54,1315 57.78,1316 23,1317 12.583,1318 4.248,1319 3.392,1320 33.865,1321 81,1322 72,1323 0.208,1324 164.221,1325 284.52,1326 392.458,1327 17784,1328 2.6,1329 16.681,1330 0.695,1331 0.574,1332 16.165,1333 13.77,1334 11.631,1335 0.431,1336 0.309,1337 7.487,1338 10.784,1339 7.224,1340 5.961,1341 11.645,1342 8.335,1343 10.691,1344 0.274,1345 0.17,1346 10.673,1347 6.646,1348 9.505,1349 0.176,1350 0.097,1351 10.053,1352 5.233,1353 7.891,1354 0.11,1355 0.055,1356 8.583,1357 3.945,1358 6.453,1359 0.07,1360 0.029,1361 7.077,1362 2.703,1363 0.321,1364 76.842,1365 0.234,1366 23.165,1367 0.586,1368 132,1369 444.088,1370 169.626,1371 422.976,1372 573.81,1373 396,1374 159,1375 402.336,1376 196.94,1377 418.89,1378 619.71,1379 394,1380 6}
{0 CHEMBL1796264,1 1.669,2 9.958,3 4.526,4 20.488,5 93.292,6 8.932,7 0.63,8 3.767,9 3.846,10 3.544,11 3.44,12 4.95,13 3.405,14 4.273,15 4.39,16 3.96,17 3.839,18 5.465,19 3.79,20 4.47,21 4.604,22 4.064,23 3.929,24 5.7,25 3.869,26 4.521,27 4.671,28 3.952,29 3.899,30 5.713,31 3.803,32 4.402,33 4.575,34 3.74,35 3.809,36 5.51,37 3.675,38 4.354,39 4.546,40 3.631,41 3.638,42 5.567,43 3.535,44 4.136,45 4.306,46 3.468,47 3.461,48 5.527,49 3.39,50 4.099,51 4.29,52 3.355,53 3.362,54 5.235,55 3.299,56 0.045,57 0.538,58 5.529,59 3.517,60 5.867,61 3.782,62 0.208,63 0.916,64 11.959,65 6.092,66 14.182,67 6.347,68 0.255,69 1.158,70 17.659,71 7.98,72 27.328,73 8.062,74 0.396,75 1.167,76 22.294,77 9.046,78 48.637,79 8.48,80 0.276,81 1.022,82 21.703,83 8.773,84 29.724,85 9.457,86 0.402,87 0.963,88 20.076,89 7.784,90 46.903,91 8.496,92 0.361,93 0.863,94 14.308,95 5.952,96 64.273,97 6.135,98 0.255,99 0.759,100 13.444,101 5.492,102 26.492,103 5.993,104 10,105 39,106 0.295,107 0.599,108 0.735,109 0.85,110 0.859,111 0.859,112 3.229,113 0.926,114 -5.09,115 -4.99,116 -4.67,119 50,124 1,125 1,142 9,143 2,144 3,152 2,158 1,172 7,174 1,175 5,183 10,187 9,195 7,199 6,207 5,212 4,220 8,223 2,224 2,232 7,237 4,245 4,250 4,258 4,263 2,271 6,275 758,276 16.292,277 16.292,278 16.292,279 16.292,280 16.292,281 14.191,282 17.308,283 9.412,284 16.702,285 13.294,286 13.294,287 13.294,288 13.294,289 13.294,290 10.024,291 20.673,292 4.465,293 14.003,294 3.579,295 1.86,296 1.086,297 0.441,298 0.388,299 0.388,300 3.926,304 1,305 1,306 530,307 3.082,310 40.12,311 177.291,314 73.568,315 87.867,318 1.465,319 26.118,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 52,331 239,332 4.567,333 3.722,334 6.755,335 4.171,336 3.225,337 4.266,338 1.2,339 11.072,340 3.045,341 4.255,342 3.324,343 6.498,344 3.939,345 2.979,346 3.757,347 1.151,348 9.947,349 2.853,350 3.992,351 2.932,352 5.85,353 3.543,354 2.585,355 3.588,356 0.293,357 8.101,358 2.472,359 3.716,360 2.673,361 5.529,362 3.299,363 2.341,364 3.088,366 6.957,367 2.241,368 3.387,369 2.543,370 5.014,371 2.988,372 2.036,373 2.664,375 5.909,376 1.911,377 3.024,378 2.197,379 4.775,380 2.69,381 1.775,382 2.163,384 5.067,385 1.613,386 2.899,387 1.708,388 4.407,389 2.429,390 1.44,391 2.07,393 3.819,394 1.418,395 2.72,396 1.487,397 3.83,398 2.257,399 1.329,400 1.758,402 3.118,403 1.21,404 2.5,405 1.361,406 3.595,407 2,408 1,409 1.5,411 2.394,412 1,413 2.36,414 1,415 3.414,416 1.851,417 0.913,418 1.299,420 2.275,421 0.842,422 1.938,423 0.984,424 3.267,425 1.497,426 0.533,427 0.679,428 1.34,429 0.49,430 1.802,431 0.752,432 3.139,433 1.364,434 0.451,435 0.602,436 1.063,437 0.41,438 1.019,439 0.336,440 2.418,441 0.625,442 -0.277,443 -0.334,445 -0.587,446 -0.241,447 0.853,448 -0.12,449 2.33,450 0.465,451 -0.481,452 -0.602,454 -1.194,455 -0.444,456 0.674,457 -0.5,458 2.282,459 0.257,460 -0.701,461 -0.889,463 -1.845,464 -0.661,465 11.686,466 0.487,467 0.627,468 0.026,469 33.75,470 1.406,471 18.5,472 0.771,473 15.25,474 0.635,475 17.368,476 0.724,477 24.314,478 0.64,479 23.387,480 0.974,481 6.721,482 0.28,483 4.91,484 0.205,485 0.096,487 0.377,491 1,493 0.608,494 0.913,495 0.646,496 0.845,497 0.52,498 0.802,499 0.817,500 0.822,501 0.771,502 0.772,503 0.582,504 0.758,505 1.007,506 1.077,507 0.986,508 1.106,509 0.903,510 0.999,511 1.246,512 0.928,513 1.345,514 1.15,515 1.22,516 1.082,517 0.628,518 0.815,519 1.357,520 1.27,521 0.759,522 1.145,523 0.831,524 0.883,525 1.116,526 1.035,527 1.074,528 0.995,529 1.151,530 1.109,531 1.138,532 1.064,533 1.2,534 1.064,535 1.043,536 0.929,537 0.77,538 0.886,539 0.866,540 0.977,541 4.5,542 0.058,543 3.333,544 1.819,545 1.579,546 0.785,547 0.512,548 0.369,549 0.171,550 0.115,551 6506,552 19977,553 2.135,554 36.8,556 14,564 1.668,565 2,566 3.298,567 -0.782,573 63.408,574 1.669,575 3.388,576 4.162,577 4.807,578 4.86,579 4.86,580 2.736,581 4.054,582 4.557,583 3.397,584 937.556,585 7.861,586 10714.8,588 1,591 199.421,592 1.406,593 4.518,594 0.167,595 0.005,596 0.085,597 0.045,598 0.046,599 0.027,600 0.02,601 0.016,602 0.009,603 0.007,604 0.428,605 0.67,606 1,607 0.566,608 113.121,609 -0.018,610 -0.06,611 0.058,612 0.009,613 -0.046,614 0.018,615 -0.028,616 0.079,617 0.087,618 0.146,619 0.009,620 0.108,621 -0.067,622 -0.097,623 0.007,624 -0.113,625 -0.02,626 -0.089,627 -0.197,628 -0.012,629 -0.189,630 -0.072,631 -0.167,632 -0.133,633 0.037,634 -0.031,635 -0.156,636 -0.148,637 -0.014,638 -0.11,639 0.092,640 -0.033,641 -0.022,642 -0.005,643 0.007,644 0.025,645 0.038,646 0.032,647 -0.163,648 -0.09,649 0.143,650 -0.114,651 -0.075,652 -0.081,653 0.052,654 -0.02,655 -0.026,656 0.001,657 1.986,658 5.762,659 0.792,660 18.25,661 1.014,662 1.107,663 3.864,664 14.929,665 0.732,666 3.332,667 3.689,668 4.007,669 4.277,670 4.533,671 4.635,672 4.771,673 4.905,674 4.956,675 4.977,676 5.71,677 0.703,678 339.41,679 3.332,680 4.89,681 5.765,682 6.658,683 7.55,684 8.449,685 9.348,686 10.251,687 11.153,688 12.058,689 2.6,696 1,704 9,708 1,709 7,711 17,719 1,729 1,730 1,731 38,733 18,734 2,735 27,737 41,738 19,739 16,740 4,741 8,742 1,746 4,747 7,761 17,762 2,766 1,771 1,775 1,778 1,779 1,781 14,782 4,784 5,785 1,790 1,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,844 1,846 1,848 24,854 1,856 1,859 1,865 1,869 1,870 5.3,873 1,875 1,877 12,878 7.343,879 5.167,880 2.183,881 3.13,882 1.418,883 1.034,884 3.851,885 10.619,886 3.624,887 4.252,888 4.867,889 5.439,890 5.951,891 6.219,892 6.582,893 6.961,894 7.271,895 7.547,896 0.857,897 40,898 8.897,900 3.902,901 7.882,902 16.796,904 14.071,905 2.382,906 57.167,910 164.795,911 160.466,912 3.124,914 36.145,915 14.96,916 31.278,917 129.189,918 200.94,919 18.084,920 8.396,921 7.717,922 85.286,923 29.85,924 34.492,925 17.677,926 196.073,928 164.795,929 132.313,930 51.105,931 31.278,933 179.756,934 36.145,937 7.717,938 124.596,940 31.278,941 179.756,942 39.269,943 160.466,946 164.795,947 66.784,948 96.807,950 51.105,951 164.795,952 54.229,953 160.466,955 0.592,956 0.356,957 0.188,958 0.105,959 21,960 9,961 0.049,962 2,963 2,964 1.211,965 3.615,966 204.446,967 0.211,968 19,969 106.039,970 1,974 15.34,975 6.024,976 2.748,978 54.229,979 15.614,983 1.467,984 4.948,987 379.491,988 36.5,993 12.762,997 -0.113,999 38.531,1000 42.083,1001 0.318,1002 0.646,1003 0.793,1004 0.916,1005 0.926,1006 0.926,1007 4.869,1008 1.329,1009 5.765,1010 3.819,1011 4.369,1012 4.938,1013 1.876,1014 6.611,1015 4.267,1016 6.09,1017 1,1018 7.349,1019 3.118,1020 4.007,1021 4.732,1022 0.325,1023 7.567,1024 3.843,1025 7.407,1026 0.913,1027 9.033,1028 2.394,1029 5.999,1030 7.138,1031 2.085,1032 10.695,1033 5.801,1034 8.76,1035 0.533,1036 10.776,1037 2.275,1038 6.463,1039 7.754,1040 0.653,1041 12.474,1042 6.194,1043 10.145,1044 0.451,1045 12.556,1046 1.34,1047 7.928,1048 9.617,1049 2.336,1050 15.123,1051 7.631,1052 11.553,1053 -0.277,1054 14.361,1055 1.063,1056 8.762,1057 10.618,1058 1.001,1059 17.238,1060 8.392,1061 12.978,1062 -0.481,1063 16.184,1064 -0.587,1065 10.025,1066 12.248,1067 2.602,1068 19.721,1069 9.621,1070 3.225,1071 -0.701,1072 18.022,1073 -1.194,1074 11.029,1075 13.449,1076 1.37,1077 21.982,1078 10.556,1079 2.979,1080 11.072,1081 19.87,1082 -1.845,1083 12.215,1084 14.97,1085 2.878,1086 24.403,1087 11.7,1088 2.585,1089 9.947,1090 21.726,1091 4.266,1092 13.297,1093 16.277,1094 1.754,1095 26.731,1096 12.717,1097 2.341,1098 8.101,1099 23.59,1100 3.757,1101 14.455,1102 17.748,1103 3.162,1104 29.129,1105 13.827,1106 2.036,1107 6.957,1108 25.458,1109 3.588,1110 15.574,1111 19.112,1112 2.143,1113 31.488,1114 14.883,1115 1.775,1116 5.909,1117 27.332,1118 3.088,1119 16.724,1120 20.561,1121 3.453,1122 33.879,1123 15.982,1124 1.44,1125 5.067,1126 29.209,1127 2.664,1128 17.861,1129 21.958,1130 2.535,1131 36.255,1132 17.058,1133 6125,1134 10845,1135 18.205,1136 27.83,1137 41.876,1138 42.804,1139 42.81,1140 41.301,1141 41.213,1142 54.868,1143 5.287,1144 122.125,1145 39.01,1146 5.452,1147 5.722,1148 6.438,1149 5.299,1150 5.225,1151 7.266,1152 2.351,1153 18.358,1154 5.045,1155 10.417,1156 1.551,1157 1.585,1158 1.586,1159 1.53,1160 1.526,1161 2.032,1162 0.196,1163 4.523,1164 1.445,1165 4.058,1166 4.063,1167 4.294,1168 4.053,1169 8.201,1170 4.01,1171 3.913,1172 3.942,1173 3.866,1174 3.827,1175 7.428,1176 3.83,1177 3.715,1178 3.732,1179 3.759,1180 3.688,1181 4.909,1182 3.658,1183 3.413,1184 3.47,1185 3.345,1186 3.192,1187 4.65,1188 3.218,1189 3.122,1190 3.162,1191 3.133,1192 2.934,1193 4.457,1194 2.918,1195 2.897,1196 2.944,1197 2.82,1198 2.768,1199 4.24,1200 2.758,1201 2.854,1202 2.925,1203 2.688,1204 2.735,1205 3.96,1206 2.715,1207 2.792,1208 2.856,1209 2.687,1210 2.639,1211 3.674,1212 2.609,1213 0.169,1214 0.138,1215 0.25,1216 0.154,1217 0.119,1218 4.567,1219 0.158,1220 3.722,1221 0.044,1222 6.755,1223 0.41,1224 4.171,1225 0.113,1226 3.225,1227 4.266,1228 1.2,1229 11.072,1230 3.045,1231 1.929,1232 1.917,1233 2.014,1234 2.012,1235 1.166,1236 2.015,1237 1.889,1238 1.861,1239 1.99,1240 2.004,1241 1.076,1242 2.001,1243 1.579,1244 1.562,1245 1.707,1246 1.713,1247 0.875,1248 1.711,1249 1.426,1250 1.41,1251 1.618,1252 1.593,1253 0.713,1254 1.607,1255 1.189,1256 1.129,1257 1.309,1258 1.332,1259 0.554,1260 1.379,1261 0.925,1262 0.881,1263 1.181,1264 1.107,1265 0.29,1266 1.135,1267 0.886,1268 0.821,1269 1.165,1270 1.062,1271 0.218,1272 1.107,1273 0.754,1274 0.693,1275 0.975,1276 0.983,1277 0.137,1278 0.98,1279 4.007,1281 5.352,1282 2.398,1283 6.899,1284 4.727,1285 8.534,1286 6.862,1287 10.214,1289 1.693,1291 13.054,1295 0.469,1297 5.741,1300 1.531,1305 26.709,1306 63.408,1307 128.753,1308 158.137,1309 182.666,1310 184.666,1311 184.666,1312 38.705,1313 7.489,1314 29.54,1315 57.78,1316 23,1317 12.578,1318 4.248,1319 3.392,1320 33.903,1321 82,1322 88,1323 0.205,1324 164.221,1325 284.52,1326 392.458,1327 17784,1328 2.6,1329 16.681,1330 0.695,1331 0.574,1332 16.165,1333 13.77,1334 11.631,1335 0.431,1336 0.309,1337 7.487,1338 10.784,1339 7.224,1340 5.96,1341 11.645,1342 8.335,1343 10.679,1344 0.274,1345 0.17,1346 10.673,1347 6.643,1348 9.589,1349 0.178,1350 0.097,1351 10.053,1352 5.252,1353 7.744,1354 0.109,1355 0.055,1356 8.583,1357 3.925,1358 6.424,1359 0.07,1360 0.029,1361 7.077,1362 2.691,1363 0.318,1364 76.842,1365 0.234,1366 23.237,1367 0.575,1368 132,1369 444.088,1370 169.626,1371 422.911,1372 573.79,1373 396,1374 159,1375 402.336,1376 196.94,1377 418.753,1378 619.41,1379 394,1380 6}
{0 CHEMBL1796265,1 1.506,2 9.333,3 4.807,4 23.108,5 98.117,6 8.182,7 0.63,8 3.82,9 3.909,10 3.534,11 3.497,12 4.922,13 3.443,14 4.334,15 4.472,16 3.943,17 3.9,18 5.392,19 3.827,20 4.514,21 4.651,22 4.068,23 4.01,24 5.612,25 3.927,26 4.628,27 4.794,28 3.99,29 4.012,30 5.711,31 3.897,32 4.555,33 4.743,34 3.774,35 3.937,36 5.594,37 3.784,38 4.544,39 4.777,40 3.659,41 3.765,42 5.635,43 3.62,44 4.189,45 4.362,46 3.435,47 3.597,48 5.225,49 3.469,50 4.215,51 4.425,52 3.239,53 3.496,54 5.167,55 3.384,56 0.006,57 0.506,58 7.521,59 3.883,60 4.708,61 4.657,62 0.148,63 0.883,64 15.41,65 6.784,66 12.17,67 7.958,68 0.102,69 1.058,70 20.203,71 8.495,72 15.132,73 9.796,74 0.262,75 1.212,76 26.24,77 9.939,78 31.519,79 10.634,80 0.12,81 1.114,82 25.404,83 10.221,84 24.761,85 11.797,86 0.407,87 1.098,88 25.857,89 9.609,90 54.54,91 11.313,92 0.1,93 0.775,94 18.207,95 7.038,96 19.222,97 7.874,98 0.158,99 0.759,100 15.532,101 6.288,102 21.56,103 7.732,104 10,105 39,106 0.262,107 0.572,108 0.729,109 0.85,110 0.884,111 0.884,112 3.229,113 0.961,114 -5.21,115 -5.1,116 -4.77,119 48.8,120 1,124 1,125 1,142 9,143 3,144 2,152 2,158 1,172 10,174 1,175 5,183 13,187 10,195 9,199 7,207 6,212 5,220 8,223 2,224 3,232 9,237 4,245 7,250 4,258 6,263 3,271 8,275 738,276 16.345,277 16.345,278 16.345,279 16.345,280 16.345,281 14.215,282 16.274,283 9.484,284 16.689,285 13.295,286 13.295,287 13.295,288 13.295,289 13.295,290 10.006,291 19.507,292 4.472,293 13.874,294 3.852,295 2.075,296 1.172,297 0.476,298 0.281,299 0.281,300 3.926,304 1,305 1,306 495,307 3.082,310 39.105,311 175.255,314 71.881,315 86.174,318 1.417,319 16.579,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 50.5,331 224,332 4.57,333 3.731,334 6.764,335 4.178,336 3.231,337 4.267,338 1.2,339 11.089,340 3.054,341 4.332,342 3.326,343 6.612,344 4.007,345 3.043,346 3.877,347 1.151,348 10.36,349 2.929,350 4.041,351 2.954,352 6.019,353 3.616,354 2.645,355 3.622,356 0.293,357 8.522,358 2.565,359 3.672,360 2.626,361 5.659,362 3.279,363 2.296,364 3.018,366 7.3,367 2.249,368 3.063,369 2.2,370 4.9,371 2.692,372 1.779,373 2.245,375 5.094,376 1.647,377 3.023,378 2.004,379 4.767,380 2.69,381 1.742,382 2.16,384 4.994,385 1.607,386 2.885,387 1.701,388 4.063,389 2.417,390 1.43,391 2.052,393 3.189,394 1.414,395 2.857,396 1.493,397 3.827,398 2.414,399 1.414,400 2.005,402 3.118,403 1.408,404 2.63,405 1.487,406 3.61,407 2.118,408 1.153,409 1.636,411 2.89,412 1.093,413 2.355,414 1.031,415 3.587,416 1.844,417 0.9,418 1.288,420 2.361,421 0.836,422 1.924,423 0.981,424 3.221,425 1.489,426 0.53,427 0.673,428 1.331,429 0.484,430 1.802,431 0.752,432 3.132,433 1.364,434 0.439,435 0.591,436 1.024,437 0.407,438 1,439 0.053,440 2.418,441 0.702,442 -0.285,443 -0.341,445 -0.608,446 -0.28,447 0.853,448 -0.121,449 2.329,450 0.465,451 -0.481,452 -0.602,454 -1.194,455 -0.444,456 0.674,457 -0.5,458 2.282,459 0.257,460 -0.701,461 -0.889,463 -1.845,464 -0.661,465 11.9,466 0.496,467 0.61,468 0.025,469 33.5,470 1.396,471 18.5,472 0.771,473 15,474 0.625,475 18.523,476 0.772,477 24.1,478 0.588,479 22.613,480 0.942,481 6.573,482 0.274,483 5.075,484 0.211,485 0.112,487 0.37,493 0.701,494 1.05,495 0.701,496 0.869,497 0.584,498 0.839,499 0.958,500 0.813,501 0.775,502 0.735,503 0.643,504 0.732,505 0.954,506 1.219,507 0.949,508 1.14,509 0.826,510 1.015,511 1.543,512 1.054,513 1.286,514 1.118,515 1.578,516 1.04,517 0.9,518 1.191,519 1.342,520 1.314,521 1.139,522 1.18,523 1.2,524 0.79,525 0.992,526 0.822,527 1.949,528 0.832,529 1.025,530 1.189,531 1.472,532 1.354,533 1.141,534 1.14,535 1.275,536 0.9,537 0.905,538 0.865,539 1.041,540 0.982,541 4,542 0.037,543 3.333,544 2.069,545 1.579,546 0.785,547 0.432,548 0.379,549 0.195,550 0.124,551 6346,552 15915,553 2.135,554 41.5,555 3,556 14,564 1.67,565 2,566 3.218,567 -0.823,573 61.734,574 1.506,575 3.283,576 4.186,577 4.882,578 5.077,579 5.077,580 2.669,581 4.137,582 4.56,583 3.328,584 918.614,585 7.872,586 10461.7,588 1,591 219.66,592 1.406,593 4.518,594 0.148,595 0.003,596 0.085,597 0.05,598 0.044,599 0.026,600 0.017,601 0.016,602 0.01,603 0.007,604 0.408,605 0.67,606 1,607 0.566,608 112.557,609 0.005,610 -0.079,611 0.074,612 0.01,613 -0.059,614 0.022,615 0.025,616 0.209,617 0.142,618 0.203,619 0.006,620 0.165,621 0.043,622 -0.221,623 0.057,624 -0.149,625 0.062,626 -0.098,627 -0.192,628 -0.007,629 -0.135,630 -0.066,631 -0.161,632 -0.108,633 -0.039,634 -0.206,635 -0.176,636 -0.218,637 -0.009,638 -0.178,639 0.127,640 0.209,641 0.104,642 0.204,643 -0.02,644 0.178,645 -0.088,646 -0.183,647 -0.274,648 -0.245,649 -0.032,650 -0.156,651 -0.157,652 0.044,653 -0.101,654 0.005,655 -0.075,656 -0.02,657 1.652,658 5.923,659 0.792,660 17.417,661 0.998,662 1.101,663 3.977,664 15.817,665 0.723,666 3.332,667 3.689,668 4.025,669 4.304,670 4.533,671 4.615,672 4.762,673 4.92,674 4.99,675 4.984,676 5.532,677 0.679,678 335.45,679 3.332,680 4.89,681 5.771,682 6.668,683 7.565,684 8.467,685 9.369,686 10.275,687 11.18,688 12.088,689 2.4,696 1,704 9,708 1,709 7,711 17,719 1,729 1,731 41,733 18,734 2,735 27,737 44,738 20,739 16,740 4,741 8,742 1,746 4,747 7,752 1,761 17,762 3,766 1,771 1,775 1,781 17,782 3,784 4,785 1,790 1,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,844 2,848 24,854 1,856 1,859 1,865 1,870 4.9,873 1,875 1,877 12,878 8.2,879 5.194,880 2.404,881 3.169,882 1.423,883 1.025,884 3.89,885 10.658,886 3.624,887 4.252,888 4.878,889 5.452,890 5.945,891 6.201,892 6.574,893 6.973,894 7.293,895 7.542,896 1,897 41,898 8.884,900 3.824,901 7.632,902 17.15,904 14.349,905 2.132,906 51.167,909 1,910 200.109,911 163.356,912 3.124,914 36.145,916 31.278,917 132.079,918 236.254,919 3.124,920 17.222,921 7.717,922 85.286,923 29.85,924 28.557,925 2.717,926 231.386,928 200.109,929 135.203,930 36.145,931 31.278,933 200.109,934 36.145,937 16.542,938 118.661,940 31.278,941 200.109,942 39.269,943 163.356,946 200.109,947 60.848,948 105.632,950 36.145,951 200.109,952 39.269,953 163.356,955 0.59,956 0.364,957 0.198,958 0.104,959 21,960 9,961 0.045,962 2,963 2,964 1.211,965 3.583,966 206.259,967 0.211,968 19,969 106.039,970 1,974 15.401,975 6.061,976 2.665,978 39.269,979 17.87,983 1.544,984 6.943,987 402.734,988 36.5,993 12.923,997 0.015,999 40.902,1000 45.159,1001 0.281,1002 0.613,1003 0.781,1004 0.911,1005 0.948,1006 0.948,1007 4.869,1008 1.414,1009 5.771,1010 3.189,1011 4.369,1012 4.938,1013 1.876,1014 6.632,1015 4.283,1016 6.09,1017 1.153,1018 7.365,1019 3.118,1020 4.007,1021 4.732,1022 0.325,1023 7.621,1024 3.881,1025 7.409,1026 0.9,1027 9.061,1028 2.89,1029 6.009,1030 7.145,1031 2.085,1032 10.766,1033 5.838,1034 8.767,1035 0.53,1036 10.818,1037 2.361,1038 6.494,1039 7.782,1040 0.653,1041 12.576,1042 6.268,1043 10.159,1044 0.439,1045 12.612,1046 1.331,1047 7.962,1048 9.644,1049 2.336,1050 15.234,1051 7.699,1052 11.574,1053 -0.285,1054 14.431,1055 1.024,1056 8.819,1057 10.671,1058 1.001,1059 17.366,1060 8.494,1061 13.007,1062 -0.481,1063 16.267,1064 -0.608,1065 10.085,1066 12.298,1067 2.602,1068 19.855,1069 9.722,1070 3.231,1071 -0.701,1072 18.117,1073 -1.194,1074 11.106,1075 13.517,1076 1.37,1077 22.124,1078 10.68,1079 3.043,1080 11.089,1081 19.975,1082 -1.845,1083 12.296,1084 15.036,1085 2.878,1086 24.549,1087 11.826,1088 2.645,1089 10.36,1090 21.841,1091 4.267,1092 13.389,1093 16.354,1094 1.754,1095 26.881,1096 12.858,1097 2.296,1098 8.522,1099 23.712,1100 3.877,1101 14.551,1102 17.823,1103 3.162,1104 29.281,1105 13.972,1106 1.779,1107 7.3,1108 25.589,1109 3.622,1110 15.676,1111 19.193,1112 2.143,1113 31.642,1114 15.039,1115 1.742,1116 5.094,1117 27.469,1118 3.018,1119 16.829,1120 20.64,1121 3.453,1122 34.034,1123 16.141,1124 1.43,1125 4.994,1126 29.352,1127 2.245,1128 17.97,1129 22.038,1130 2.535,1131 36.409,1132 17.224,1133 5978,1134 9602,1135 18.205,1136 29.654,1137 41.861,1138 42.634,1139 42.985,1140 41.194,1141 41.204,1142 54.867,1143 5.287,1144 122.543,1145 39.385,1146 5.455,1147 5.731,1148 6.449,1149 5.306,1150 5.231,1151 7.267,1152 2.351,1153 18.498,1154 5.054,1155 10.155,1156 1.55,1157 1.579,1158 1.592,1159 1.526,1160 1.526,1161 2.032,1162 0.196,1163 4.539,1164 1.459,1165 4.059,1166 4.066,1167 4.294,1168 4.054,1169 7.428,1170 4.012,1171 3.927,1172 3.956,1173 3.871,1174 3.859,1175 4.91,1176 3.856,1177 3.716,1178 3.733,1179 3.759,1180 3.689,1181 4.745,1182 3.659,1183 3.407,1184 3.468,1185 3.323,1186 3.192,1187 4.459,1188 3.215,1189 3.17,1190 3.257,1191 3.129,1192 3.022,1193 4.243,1194 2.997,1195 3.119,1196 3.161,1197 2.961,1198 2.932,1199 4.023,1200 2.912,1201 2.897,1202 2.944,1203 2.783,1204 2.768,1205 3.889,1206 2.756,1207 2.778,1208 2.854,1209 2.688,1210 2.639,1211 3.609,1212 2.615,1213 0.169,1214 0.138,1215 0.251,1216 0.155,1217 0.12,1218 4.57,1219 0.158,1220 3.731,1221 0.044,1222 6.764,1223 0.411,1224 4.178,1225 0.113,1226 3.231,1227 4.267,1228 1.2,1229 11.089,1230 3.054,1231 1.929,1232 1.917,1233 2.041,1234 2.024,1235 1.166,1236 2.03,1237 1.923,1238 1.894,1239 2.014,1240 2.01,1241 1.155,1242 2.015,1243 1.582,1244 1.565,1245 1.713,1246 1.718,1247 0.877,1248 1.72,1249 1.429,1250 1.411,1251 1.628,1252 1.594,1253 0.729,1254 1.611,1255 1.21,1256 1.14,1257 1.552,1258 1.418,1259 0.602,1260 1.469,1261 1.189,1262 1.116,1263 1.31,1264 1.332,1265 0.554,1266 1.379,1267 0.925,1268 0.881,1269 1.165,1270 1.107,1271 0.29,1272 1.135,1273 0.812,1274 0.739,1275 1.111,1276 1.002,1277 0.178,1278 1.044,1279 4.007,1281 5.352,1282 2.398,1283 6.905,1284 4.727,1285 8.549,1286 6.862,1287 10.24,1289 3.844,1295 0.518,1297 5.789,1300 1.722,1305 27.853,1306 61.734,1307 134.601,1308 171.621,1309 200.15,1310 208.15,1311 208.15,1312 32.963,1313 7.489,1314 29.54,1315 57.78,1316 23,1317 12.605,1318 4.248,1319 3.392,1320 33.84,1321 80,1322 70,1323 0.211,1324 172.615,1325 295.75,1326 412.94,1327 17784,1329 16.681,1330 0.695,1331 0.6,1332 17.035,1333 14.392,1334 11.648,1335 0.431,1336 0.32,1337 7.829,1338 10.922,1339 7.477,1340 6.223,1341 12.056,1342 8.652,1343 10.585,1344 0.271,1345 0.178,1346 11.201,1347 6.953,1348 9.638,1349 0.175,1350 0.1,1351 10.513,1352 5.515,1353 8.019,1354 0.11,1355 0.057,1356 9.01,1357 4.192,1358 6.435,1359 0.07,1360 0.03,1361 7.299,1362 2.78,1363 0.324,1364 76.077,1365 0.234,1366 23.101,1367 0.598,1368 132,1369 357.977,1370 165.795,1371 369.448,1372 515.51,1373 348,1374 160,1375 370.003,1376 195.197,1377 394.619,1378 584.72,1379 371,1380 6.156}
{0 CHEMBL1796266,1 1.567,2 9.44,3 4.305,4 18.529,5 99.539,6 8.368,7 0.607,8 3.856,9 3.937,10 3.582,11 3.494,12 4.989,13 3.456,14 4.368,15 4.497,16 3.976,17 3.885,18 5.456,19 3.832,20 4.519,21 4.644,22 4.115,23 3.996,24 5.654,25 3.933,26 4.626,27 4.766,28 4.061,29 4.008,30 5.761,31 3.921,32 4.603,33 4.773,34 3.864,35 3.962,36 5.707,37 3.836,38 4.579,39 4.79,40 3.757,41 3.82,42 5.691,43 3.691,44 4.386,45 4.601,46 3.559,47 3.643,48 5.423,49 3.529,50 4.231,51 4.413,52 3.355,53 3.543,54 5.233,55 3.438,56 0.019,57 0.529,58 7.402,59 4.038,60 5.375,61 4.562,62 0.232,63 0.905,64 15.82,65 6.915,66 16.948,67 7.503,68 0.196,69 1.06,70 19.766,71 8.425,72 16.874,73 9.258,74 0.309,75 1.176,76 25.004,77 9.779,78 34.045,79 9.848,80 0.356,81 1.166,82 26.103,83 10.1,84 37.245,85 10.96,86 0.393,87 1.121,88 25.362,89 9.678,90 46.962,91 11.438,92 0.245,93 0.912,94 21.211,95 8.053,96 37.337,97 9.323,98 0.195,99 0.783,100 17.959,101 6.831,102 22.692,103 7.595,104 11,105 40,106 0.272,107 0.575,108 0.728,109 0.838,110 0.879,111 0.887,112 3.268,113 0.939,114 -4.4,115 -4.33,116 -4.08,119 47.6,124 2,125 1,142 9,143 2,144 3,152 2,158 1,172 8,174 1,175 5,183 10,186 1,187 11,195 6,199 7,207 5,211 1,212 4,220 6,223 2,224 5,232 6,237 5,245 5,250 4,258 4,262 1,263 3,271 5,275 828,276 17.215,277 17.215,278 17.215,279 17.215,280 17.215,281 15.138,282 18.225,283 10.005,284 17.731,285 13.733,286 13.733,287 13.733,288 13.733,289 13.733,290 10.433,291 22.394,292 4.624,293 14.491,294 3.826,295 2.073,296 1.191,297 0.56,298 0.322,299 0.274,300 3.965,304 1,305 1,306 518,307 3.24,310 41.103,311 185.249,314 75.763,315 91.022,318 1.462,319 20.338,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 53.5,331 236,332 4.57,333 3.735,334 6.768,335 4.178,336 3.232,337 4.267,338 1.2,339 11.097,340 3.052,341 4.346,342 3.328,343 6.633,344 4.011,345 3.056,346 3.896,347 1.151,348 10.486,349 2.913,350 4.051,351 3.06,352 6.059,353 3.625,354 2.665,355 3.627,356 0.86,357 8.665,358 2.549,359 3.681,360 2.633,361 5.677,362 3.285,363 2.314,364 3.023,365 0.293,366 7.396,367 2.244,368 3.076,369 2.216,370 5,371 2.713,372 1.792,373 2.251,375 5.321,376 1.65,377 3.023,378 2.18,379 4.771,380 2.69,381 1.769,382 2.16,384 5.06,385 1.608,386 2.917,387 1.706,388 4.168,389 2.46,390 1.492,391 2.085,393 3.369,394 1.437,395 2.884,396 1.614,397 3.828,398 2.417,399 1.43,400 2.046,402 3.118,403 1.408,404 2.631,405 1.487,406 3.634,407 2.119,408 1.156,409 1.637,411 2.902,412 1.093,413 2.355,414 1.032,415 3.589,416 1.844,417 0.9,418 1.288,420 2.361,421 0.836,422 1.959,423 0.981,424 3.221,425 1.526,426 0.56,427 0.718,428 1.336,429 0.526,430 1.803,431 0.935,432 3.133,433 1.378,434 0.514,435 0.642,436 1.105,437 0.435,438 1.566,439 0.752,440 2.682,441 1.256,442 0.333,443 0.401,445 0.564,446 0.305,447 0.853,448 -0.115,449 2.409,450 0.465,451 -0.48,452 -0.6,454 -1.176,455 -0.443,456 0.705,457 -0.203,458 2.31,459 0.327,460 -0.606,461 -0.724,463 -1.199,464 -0.555,465 12.233,466 0.489,467 0.572,468 0.023,469 35,470 1.4,471 19,472 0.76,473 16,474 0.64,475 18.859,476 0.754,477 25.567,478 0.609,479 24.695,480 0.988,481 7.017,482 0.281,483 5.169,484 0.207,485 0.109,487 0.36,493 0.759,494 1.108,495 0.689,496 0.917,497 0.599,498 0.854,499 1.152,500 0.781,501 0.807,502 0.7,503 0.745,504 0.696,505 0.933,506 1.16,507 0.926,508 1.111,509 0.841,510 0.97,511 1.453,512 1.142,513 1.29,514 1.174,515 1.597,516 1.065,517 1.041,518 1.086,519 1.393,520 1.22,521 1.131,522 1.137,523 0.809,524 1.021,525 1.001,526 1.055,527 1.462,528 1.036,529 1.12,530 0.878,531 0.98,532 0.89,533 1.574,534 0.858,535 1.164,536 1.054,537 1.32,538 1.181,539 1.061,540 1.101,541 4,542 0.057,543 3.333,544 2.069,545 1.699,546 0.903,547 0.432,548 0.379,549 0.226,550 0.124,551 7019,552 19012,553 2.13,554 40.5,556 17,564 1.682,565 2,566 3.248,567 -0.79,569 1,573 65.797,574 1.567,575 3.319,576 4.201,577 4.833,578 5.071,579 5.118,580 2.695,581 4.244,582 4.619,583 3.369,584 1010.76,585 7.993,586 11901.6,588 1,590 1,591 226.477,592 1.388,593 4.579,594 0.143,595 0.004,596 0.083,597 0.048,598 0.044,599 0.027,600 0.015,601 0.015,602 0.01,603 0.007,604 0.397,605 0.33,606 1,607 0.739,608 119.066,609 -0.013,610 -0.118,611 0.075,612 -0.02,613 -0.053,614 0.005,615 -0.083,616 0.252,617 0.114,618 0.25,619 -0.042,620 0.195,621 0.054,622 -0.147,623 0.078,624 -0.105,625 0.065,626 -0.056,627 -0.198,628 -0.11,629 -0.151,630 -0.11,631 -0.179,632 -0.143,633 -0.042,634 -0.064,635 -0.238,636 -0.136,637 0.003,638 -0.163,639 0.16,640 -0.038,641 0.045,642 -0.05,643 0.059,644 -0.026,645 -0.084,646 0.093,647 0.072,648 0.121,649 -0.09,650 0.159,651 -0.16,652 -0.071,653 -0.28,654 -0.167,655 -0.112,656 -0.123,657 1.721,658 5.983,659 0.76,660 18.845,661 1.005,662 1.104,663 3.169,664 10.044,665 0.717,666 3.367,667 3.714,668 4.06,669 4.344,670 4.575,671 4.654,672 4.796,673 4.942,674 5.03,675 5.043,676 5.698,677 0.68,678 351.45,679 3.367,680 4.92,681 5.802,682 6.698,683 7.596,684 8.499,685 9.402,686 10.308,687 11.214,688 12.121,689 2.4,696 1,704 9,708 1,709 7,711 17,719 1,729 2,731 42,733 18,734 2,735 28,737 45,738 20,739 16,740 4,741 8,742 1,746 4,747 7,761 17,762 3,766 1,771 1,775 1,778 1,781 17,782 4,784 5,785 1,790 1,794 0.5,795 3,811 1,812 3,815 1,816 1,840 2,842 1,844 2,848 25,854 1,856 2,859 1,865 1,870 7.1,873 1,875 2,877 12.5,878 8.367,879 5.528,880 2.363,881 3.221,882 1.425,883 1.012,884 4.318,885 10.799,886 3.651,887 4.266,888 4.901,889 5.478,890 5.971,891 6.23,892 6.601,893 6.986,894 7.314,895 7.574,896 1,897 43,898 9.241,900 3.956,901 7.687,902 17.684,904 14.594,905 2.187,906 54.667,909 1,910 200.109,911 167.472,912 3.124,914 47.145,916 31.278,917 136.194,918 247.253,919 3.124,920 19.279,921 7.717,922 85.286,923 29.85,924 41.615,925 2.717,926 231.386,928 200.109,929 139.319,930 47.145,931 31.278,933 200.109,934 47.145,937 7.717,938 131.602,940 31.278,941 200.109,942 50.269,943 167.472,946 200.109,947 62.906,948 107.69,950 47.145,951 200.109,952 50.269,953 167.472,955 0.583,956 0.366,957 0.204,958 0.108,959 21,960 9,961 0.067,962 3,963 2,964 1.211,965 3.657,966 217.598,967 0.211,968 19,969 116.096,970 1,974 16.308,975 6.619,976 2.856,978 50.269,979 17.375,983 1.511,984 6.2,987 417.85,988 37.5,993 12.983,997 -0.054,999 42.229,1000 46.368,1001 0.291,1002 0.616,1003 0.779,1004 0.896,1005 0.94,1006 0.949,1007 4.892,1008 1.43,1009 5.796,1010 3.369,1011 4.394,1012 4.952,1013 2.08,1014 6.658,1015 4.29,1016 6.106,1017 1.156,1018 7.388,1019 3.118,1020 4.007,1021 4.732,1022 0.325,1023 7.656,1024 3.856,1025 7.423,1026 0.9,1027 9.084,1028 2.902,1029 6.033,1030 7.156,1031 2.212,1032 10.8,1033 5.832,1034 8.78,1035 0.56,1036 10.841,1037 2.361,1038 6.509,1039 7.792,1040 0.653,1041 12.619,1042 6.245,1043 10.172,1044 0.514,1045 12.636,1046 1.336,1047 7.985,1048 9.655,1049 2.411,1050 15.275,1051 7.684,1052 11.588,1053 0.333,1054 14.456,1055 1.105,1056 8.84,1057 10.683,1058 1.001,1059 17.414,1060 8.469,1061 13.022,1062 -0.48,1063 16.294,1064 0.564,1065 10.109,1066 12.309,1067 2.645,1068 19.902,1069 9.699,1070 3.232,1071 -0.606,1072 18.144,1073 -1.176,1074 11.13,1075 13.531,1076 1.37,1077 22.177,1078 10.652,1079 3.056,1080 11.097,1081 20.004,1082 -1.199,1083 12.32,1084 15.049,1085 2.902,1086 24.602,1087 11.798,1088 2.665,1089 10.486,1090 21.871,1091 4.267,1092 13.414,1093 16.368,1094 1.754,1095 26.937,1096 12.826,1097 2.314,1098 8.665,1099 23.743,1100 3.896,1101 14.576,1102 17.837,1103 3.175,1104 29.339,1105 13.939,1106 1.792,1107 7.396,1108 25.62,1109 3.627,1110 15.702,1111 19.207,1112 2.143,1113 31.702,1114 15.003,1115 1.769,1116 5.321,1117 27.501,1118 3.023,1119 16.856,1120 20.654,1121 3.461,1122 34.095,1123 16.105,1124 1.492,1125 5.06,1126 29.385,1127 2.251,1128 17.997,1129 22.053,1130 2.535,1131 36.472,1132 17.186,1133 6643,1134 11060,1135 18.898,1136 30.108,1137 42.902,1138 44.151,1139 44.39,1140 42.399,1141 42.426,1142 56.08,1143 7.007,1144 125.56,1145 40.112,1146 5.456,1147 5.735,1148 6.459,1149 5.307,1150 5.232,1151 7.267,1152 2.351,1153 18.534,1154 5.052,1155 10.551,1156 1.532,1157 1.577,1158 1.585,1159 1.514,1160 1.515,1161 2.003,1162 0.25,1163 4.484,1164 1.433,1165 4.058,1166 4.063,1167 4.294,1168 4.053,1169 7.428,1170 4.011,1171 3.916,1172 3.94,1173 3.867,1174 3.829,1175 4.915,1176 3.833,1177 3.715,1178 3.731,1179 3.758,1180 3.688,1181 4.856,1182 3.658,1183 3.407,1184 3.466,1185 3.323,1186 3.192,1187 4.461,1188 3.215,1189 3.249,1190 3.315,1191 3.129,1192 2.969,1193 4.389,1194 2.978,1195 3.119,1196 3.161,1197 3.062,1198 2.931,1199 4.242,1200 2.913,1201 2.897,1202 2.944,1203 2.785,1204 2.768,1205 4.021,1206 2.756,1207 2.798,1208 2.872,1209 2.688,1210 2.664,1211 3.609,1212 2.64,1213 0.163,1214 0.133,1215 0.242,1216 0.149,1217 0.115,1218 4.57,1219 0.152,1220 3.735,1221 0.043,1222 6.768,1223 0.396,1224 4.178,1225 0.109,1226 3.232,1227 4.267,1228 1.2,1229 11.097,1230 3.052,1231 1.929,1232 1.917,1233 2.014,1234 2.013,1235 1.166,1236 2.015,1237 1.891,1238 1.867,1239 1.996,1240 2.007,1241 1.089,1242 2.005,1243 1.581,1244 1.563,1245 1.711,1246 1.715,1247 0.875,1248 1.716,1249 1.428,1250 1.41,1251 1.626,1252 1.594,1253 0.721,1254 1.61,1255 1.199,1256 1.136,1257 1.573,1258 1.511,1259 0.574,1260 1.532,1261 1.189,1262 1.119,1263 1.31,1264 1.332,1265 0.554,1266 1.379,1267 0.925,1268 0.881,1269 1.165,1270 1.107,1271 0.29,1272 1.135,1273 0.831,1274 0.761,1275 1.126,1276 1.015,1277 0.185,1278 1.058,1279 4.043,1281 5.38,1282 2.398,1283 6.93,1284 4.727,1285 8.575,1286 6.862,1287 10.267,1289 3.374,1295 0.495,1297 11.156,1300 1.628,1305 28.567,1306 65.797,1307 139.419,1308 176.438,1309 202.968,1310 212.968,1311 214.968,1312 35.77,1313 7.578,1314 38.77,1315 67.01,1316 23,1317 12.638,1318 4.248,1319 3.392,1320 35.882,1321 86,1322 74,1323 0.208,1324 176.611,1325 304.54,1326 422.691,1327 20049,1329 17.389,1330 0.696,1331 0.592,1332 17.742,1333 14.8,1334 12.186,1335 0.435,1336 0.313,1337 7.9,1338 11.307,1339 7.574,1340 6.296,1341 12.594,1342 8.764,1343 10.776,1344 0.269,1345 0.171,1346 11.392,1347 6.838,1348 9.952,1349 0.175,1350 0.096,1351 10.827,1352 5.484,1353 8.329,1354 0.11,1355 0.055,1356 9.319,1357 4.159,1358 6.784,1359 0.071,1360 0.029,1361 7.648,1362 2.831,1363 0.32,1364 80.421,1365 0.23,1366 23.929,1367 0.588,1368 136,1369 405.712,1370 172.673,1371 407.015,1372 563.41,1373 384,1374 165,1375 400.548,1376 203.242,1377 423.692,1378 627.3,1379 397,1380 6.172}
{0 CHEMBL1796267,1 1.669,2 9.333,3 4.985,4 24.853,5 97.88,6 9.365,7 0.63,8 3.763,9 3.837,10 3.583,11 3.469,12 4.904,13 3.42,14 4.267,15 4.38,16 4.011,17 3.877,18 5.391,19 3.809,20 4.462,21 4.586,22 4.163,23 3.981,24 5.626,25 3.901,26 4.522,27 4.657,28 4.084,29 3.965,30 5.695,31 3.854,32 4.418,33 4.566,34 3.871,35 3.865,36 5.608,37 3.725,38 4.35,39 4.538,40 3.813,41 3.699,42 5.523,43 3.565,44 4.109,45 4.276,46 3.531,47 3.527,48 5.212,49 3.42,50 4.092,51 4.28,52 3.363,53 3.425,54 5.131,55 3.328,56 0.026,57 0.448,58 4.95,59 3.215,60 4.626,61 3.684,62 0.176,63 0.789,64 11.367,65 5.784,66 12.438,67 6.278,68 0.202,69 0.952,70 18.331,71 7.764,72 17.646,73 8.313,74 0.327,75 1.022,76 24.017,77 9.055,78 37.045,79 8.571,80 0.299,81 0.911,82 26.374,83 8.913,84 39.314,85 9.186,86 0.377,87 0.888,88 22.817,89 7.957,90 41.95,91 8.595,92 0.149,93 0.666,94 15.131,95 5.91,96 21.794,97 6.593,98 0.201,99 0.654,100 13.434,101 5.511,102 23.572,103 6.157,104 10,105 39,106 0.295,107 0.599,108 0.726,109 0.859,110 0.896,111 0.896,112 3.229,113 0.969,114 -5.21,115 -5.1,116 -4.77,119 50,124 1,125 1,142 9,143 2,144 3,152 2,158 1,172 8,174 1,175 4,183 11,187 10,195 8,199 6,207 6,212 5,220 6,223 2,224 3,232 8,237 4,245 6,250 3,258 5,263 3,271 6,275 738,276 16.345,277 16.345,278 16.345,279 16.345,280 16.345,281 14.215,282 15.614,283 9.484,284 16.801,285 13.295,286 13.295,287 13.295,288 13.295,289 13.295,290 10.006,291 18.243,292 4.472,293 14.113,294 3.579,295 1.86,296 1.139,297 0.388,298 0.178,299 0.178,300 3.926,301 1,304 1,305 1,306 495,307 3.082,310 39.105,311 175.255,314 71.881,315 86.174,318 1.417,319 20.505,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 50.833,331 224,332 4.57,333 3.738,334 6.764,335 4.176,336 3.231,337 4.267,338 1.2,339 11.089,340 3.047,341 4.332,342 3.33,343 6.612,344 3.989,345 3.043,346 3.877,347 1.151,348 10.36,349 2.871,350 4.041,351 3.12,352 6.019,353 3.592,354 2.645,355 3.622,356 0.293,357 8.522,358 2.482,359 3.672,360 2.635,361 5.659,362 3.263,363 2.296,364 3.018,366 7.3,367 2.207,368 3.063,369 2.213,370 4.9,371 2.69,372 1.779,373 2.245,375 5.094,376 1.621,377 3.023,378 2.173,379 4.767,380 2.669,381 1.742,382 2.16,384 4.994,385 1.593,386 2.885,387 1.704,388 4.063,389 2.417,390 1.43,391 2.052,393 3.189,394 1.408,395 2.857,396 1.576,397 3.827,398 2.35,399 1.414,400 2.005,402 3.118,403 1.25,404 2.63,405 1.487,406 3.61,407 2.116,408 1.153,409 1.636,411 2.89,412 1.09,413 2.355,414 1.031,415 3.587,416 1.844,417 0.9,418 1.288,420 2.361,421 0.835,422 1.924,423 0.981,424 3.221,425 1.48,426 0.53,427 0.673,428 1.331,429 0.477,430 1.802,431 0.752,432 3.132,433 1.362,434 0.439,435 0.591,436 1.024,437 0.402,438 1,439 0.335,440 2.418,441 0.532,442 -0.285,443 -0.341,445 -0.608,446 -0.188,447 0.853,448 -0.12,449 2.329,450 0.465,451 -0.481,452 -0.602,454 -1.194,455 -0.444,456 0.674,457 -0.5,458 2.282,459 0.257,460 -0.701,461 -0.889,463 -1.845,464 -0.661,465 12.114,466 0.505,467 0.61,468 0.025,469 33.75,470 1.406,471 18.5,472 0.771,473 15.25,474 0.635,475 18.415,476 0.767,477 23.886,478 0.629,479 22.721,480 0.947,481 6.605,482 0.275,483 5.043,484 0.21,485 0.128,487 0.363,493 0.661,494 1.034,495 0.581,496 0.79,497 0.556,498 0.767,499 0.91,500 0.846,501 0.694,502 0.71,503 0.643,504 0.722,505 0.923,506 1.166,507 0.913,508 1.102,509 0.832,510 0.97,511 1.513,512 1.076,513 1.285,514 1.154,515 1.618,516 1.045,517 1.051,518 1.139,519 1.547,520 1.422,521 1.221,522 1.226,523 0.914,524 0.96,525 0.802,526 0.91,527 1.482,528 0.938,529 1.032,530 1.066,531 1.034,532 1.047,533 1.163,534 1.018,535 1.252,536 0.901,537 0.808,538 0.807,539 1.079,540 0.942,541 4,542 0.037,543 3.333,544 2.069,545 1.579,546 0.785,547 0.432,548 0.379,549 0.195,550 0.124,551 6346,552 18921,553 2.135,554 36.8,556 14,564 1.67,565 2,566 3.218,567 -0.782,573 63.408,574 1.669,575 3.388,576 4.109,577 4.86,578 5.07,579 5.07,580 2.669,581 4.137,582 4.56,583 3.328,584 918.614,585 7.872,586 10461.7,588 1,591 199.421,592 1.406,593 4.518,594 0.148,595 0.003,596 0.085,597 0.05,598 0.044,599 0.026,600 0.017,601 0.016,602 0.01,603 0.007,604 0.408,605 0.67,606 1,607 0.566,608 112.557,609 -0.016,610 -0.084,611 0.037,612 0.004,613 -0.06,614 0.015,615 -0.024,616 0.173,617 0.07,618 0.173,619 -0.017,620 0.118,621 0.044,622 -0.173,623 0.043,624 -0.132,625 0.054,626 -0.071,627 -0.231,628 -0.053,629 -0.159,630 -0.079,631 -0.196,632 -0.113,633 -0.042,634 -0.154,635 -0.296,636 -0.298,637 0.015,638 -0.232,639 0.165,640 0.067,641 0.155,642 0.129,643 0.034,644 0.075,645 -0.086,646 -0.098,647 -0.076,648 -0.079,649 -0.045,650 -0.041,651 -0.167,652 0.058,653 -0.022,654 0.075,655 -0.101,656 0.033,657 1.736,658 5.864,659 0.792,660 17.417,661 1.009,662 1.097,663 3.977,664 15.817,665 0.757,666 3.332,667 3.689,668 4.025,669 4.304,670 4.533,671 4.615,672 4.762,673 4.92,674 4.99,675 4.984,676 5.532,677 0.715,678 355.86,679 3.332,680 4.89,681 5.771,682 6.668,683 7.565,684 8.467,685 9.369,686 10.275,687 11.18,688 12.088,689 2.6,696 1,704 9,708 1,709 7,711 17,719 1,729 1,730 1,731 38,733 18,734 2,735 27,737 41,738 19,739 16,740 4,741 8,742 1,746 4,747 7,748 1,761 17,762 2,766 1,771 1,775 1,781 14,782 3,784 5,785 2,790 1,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,844 1,845 1,848 24,854 1,856 1,859 1,865 1,869 1,870 5.3,873 1,875 1,877 12,878 7.343,879 5.194,880 2.19,881 3.169,882 1.423,883 1.03,884 4.065,885 10.658,886 3.624,887 4.252,888 4.878,889 5.452,890 5.945,891 6.201,892 6.574,893 6.973,894 7.293,895 7.542,896 1,897 41,898 8.87,900 3.851,901 7.72,902 16.936,904 14.184,905 2.22,906 53.278,910 164.795,911 154.846,912 3.124,913 39.149,914 36.145,916 31.278,917 123.568,918 240.089,919 3.124,920 8.396,921 7.717,922 85.286,923 29.85,924 28.872,925 2.717,926 196.073,927 39.149,928 164.795,929 126.693,930 36.145,931 70.426,933 164.795,934 36.145,937 7.717,938 118.976,939 39.149,940 31.278,941 164.795,942 39.269,943 193.995,946 164.795,947 61.163,948 96.807,950 75.293,951 164.795,952 39.269,953 193.995,955 0.59,956 0.364,957 0.198,958 0.104,959 21,960 9,961 0.049,962 2,963 2,964 1.211,965 3.583,966 206.259,967 0.211,968 19,969 110.039,970 1,974 15.67,975 6.226,976 2.754,978 39.269,979 17.174,983 1.501,984 6.008,987 398.059,988 36.5,993 12.864,997 -0.069,999 38.342,1000 41.688,1001 0.318,1002 0.646,1003 0.783,1004 0.926,1005 0.966,1006 0.966,1007 4.869,1008 1.414,1009 5.771,1010 3.189,1011 4.369,1012 4.938,1013 1.876,1014 6.632,1015 4.25,1016 6.09,1017 1.153,1018 7.365,1019 3.118,1020 4.007,1021 4.732,1022 0.325,1023 7.621,1024 3.803,1025 7.409,1026 0.9,1027 9.061,1028 2.89,1029 6.009,1030 7.145,1031 2.085,1032 10.766,1033 5.783,1034 8.767,1035 0.53,1036 10.818,1037 2.361,1038 6.494,1039 7.782,1040 0.653,1041 12.576,1042 6.177,1043 10.159,1044 0.439,1045 12.612,1046 1.331,1047 7.962,1048 9.644,1049 2.336,1050 15.234,1051 7.623,1052 11.574,1053 -0.285,1054 14.431,1055 1.024,1056 8.819,1057 10.671,1058 1.001,1059 17.366,1060 8.393,1061 13.007,1062 -0.481,1063 16.267,1064 -0.608,1065 10.085,1066 12.298,1067 2.602,1068 19.855,1069 9.628,1070 3.231,1071 -0.701,1072 18.117,1073 -1.194,1074 11.106,1075 13.517,1076 1.37,1077 22.124,1078 10.569,1079 3.043,1080 11.089,1081 19.975,1082 -1.845,1083 12.296,1084 15.036,1085 2.878,1086 24.549,1087 11.717,1088 2.645,1089 10.36,1090 21.841,1091 4.267,1092 13.389,1093 16.354,1094 1.754,1095 26.881,1096 12.738,1097 2.296,1098 8.522,1099 23.712,1100 3.877,1101 14.551,1102 17.823,1103 3.162,1104 29.281,1105 13.851,1106 1.779,1107 7.3,1108 25.589,1109 3.622,1110 15.676,1111 19.193,1112 2.143,1113 31.642,1114 14.911,1115 1.742,1116 5.094,1117 27.469,1118 3.018,1119 16.829,1120 20.64,1121 3.453,1122 34.034,1123 16.011,1124 1.43,1125 4.994,1126 29.352,1127 2.245,1128 17.97,1129 22.038,1130 2.535,1131 36.409,1132 17.089,1133 5978,1134 10442,1135 18.205,1136 28.75,1137 41.861,1138 42.871,1139 42.985,1140 41.407,1141 41.204,1142 54.867,1143 5.287,1144 122.543,1145 38.565,1146 5.455,1147 5.738,1148 6.449,1149 5.305,1150 5.231,1151 7.267,1152 2.351,1153 18.498,1154 5.047,1155 10.155,1156 1.55,1157 1.588,1158 1.592,1159 1.534,1160 1.526,1161 2.032,1162 0.196,1163 4.539,1164 1.428,1165 4.057,1166 4.062,1167 4.295,1168 4.053,1169 7.428,1170 4.011,1171 3.909,1172 3.935,1173 4.004,1174 3.844,1175 4.941,1176 3.839,1177 3.714,1178 3.73,1179 3.762,1180 3.689,1181 4.9,1182 3.658,1183 3.406,1184 3.465,1185 3.364,1186 3.192,1187 4.461,1188 3.215,1189 3.12,1190 3.161,1191 3.27,1192 2.935,1193 4.346,1194 2.916,1195 2.897,1196 2.944,1197 3.129,1198 2.8,1199 4.242,1200 2.772,1201 2.879,1202 2.922,1203 2.784,1204 2.768,1205 4.02,1206 2.755,1207 2.758,1208 2.825,1209 2.688,1210 2.639,1211 3.609,1212 2.609,1213 0.169,1214 0.138,1215 0.251,1216 0.155,1217 0.12,1218 4.57,1219 0.158,1220 3.738,1221 0.044,1222 6.764,1223 0.411,1224 4.176,1225 0.113,1226 3.231,1227 4.267,1228 1.2,1229 11.089,1230 3.047,1231 1.929,1232 1.917,1233 2.014,1234 2.011,1235 1.166,1236 2.015,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.086,1242 1.993,1243 1.58,1244 1.563,1245 1.71,1246 1.71,1247 0.875,1248 1.714,1249 1.428,1250 1.41,1251 1.625,1252 1.592,1253 0.72,1254 1.609,1255 1.192,1256 1.131,1257 1.31,1258 1.332,1259 0.554,1260 1.379,1261 0.925,1262 0.881,1263 1.165,1264 1.107,1265 0.29,1266 1.135,1267 0.869,1268 0.824,1269 1.127,1270 1.026,1271 0.187,1272 1.069,1273 0.772,1274 0.709,1275 0.975,1276 0.952,1277 0.137,1278 0.978,1279 4.007,1281 5.352,1282 2.398,1283 6.905,1284 4.727,1285 8.549,1286 6.862,1287 10.24,1289 1.743,1290 6.208,1295 0.492,1297 5.768,1300 1.59,1305 27.153,1306 63.408,1307 128.753,1308 156.137,1309 184.666,1310 192.666,1311 192.666,1312 34.961,1313 7.489,1314 29.54,1315 57.78,1316 23,1317 12.605,1318 4.248,1319 3.392,1320 33.84,1321 80,1322 70,1323 0.211,1324 171.355,1325 293.66,1326 409.867,1327 17784,1328 2.6,1329 16.681,1330 0.695,1331 0.605,1332 17.535,1333 14.526,1334 11.648,1335 0.431,1336 0.323,1337 7.548,1338 10.631,1339 7.232,1340 5.97,1341 12.345,1342 8.719,1343 10.585,1344 0.271,1345 0.18,1346 11.572,1347 7.025,1348 9.638,1349 0.175,1350 0.101,1351 10.871,1352 5.571,1353 8.019,1354 0.11,1355 0.058,1356 9.347,1357 4.239,1358 6.435,1359 0.07,1360 0.03,1361 7.518,1362 2.801,1363 0.324,1364 79.253,1365 0.234,1366 23.101,1367 0.598,1368 132,1369 384.18,1370 181.314,1371 422.831,1372 574.43,1373 396,1374 160,1375 386.866,1376 207.232,1377 419.741,1378 623.3,1379 395,1380 6.967}
{0 CHEMBL1796268,1 1.632,2 9.261,3 3.709,4 13.76,5 91.232,6 8.714,7 0.654,8 3.741,9 3.825,10 3.507,11 3.405,12 4.889,13 3.367,14 4.241,15 4.367,16 3.909,17 3.8,18 5.365,19 3.743,20 4.41,21 4.549,22 4.011,23 3.881,24 5.556,25 3.813,26 4.464,27 4.617,28 3.922,29 3.849,30 5.645,31 3.753,32 4.325,33 4.484,34 3.707,35 3.761,36 5.418,37 3.635,38 4.321,39 4.524,40 3.55,41 3.59,42 5.482,43 3.478,44 4.051,45 4.232,46 3.344,47 3.412,48 5.135,49 3.319,50 4.064,51 4.271,52 3.159,53 3.298,54 5.126,55 3.216,56 0.018,57 0.49,58 5.842,59 3.308,60 4.689,61 3.7,62 0.193,63 0.846,64 12.38,65 5.698,66 13.194,67 6.157,68 0.148,69 0.995,70 17.272,71 7.303,72 16.497,73 7.821,74 0.352,75 1.056,76 21.747,77 8.142,78 40.69,79 7.76,80 0.141,81 0.914,82 20.037,83 7.886,84 19.627,85 8.451,86 0.355,87 0.891,88 18.903,89 7.198,90 41.556,91 8.16,92 0.116,93 0.672,94 13.308,95 5.453,96 19.452,97 6.2,98 0.25,99 0.683,100 13.24,101 4.992,102 26.25,103 5.708,104 5,105 37,106 0.29,107 0.608,108 0.755,109 0.87,110 0.893,111 0.893,112 3.189,113 0.934,114 -4.75,115 -4.67,116 -4.38,119 48.6,124 1,125 1,142 8,143 2,144 1,145 1,147 1,152 2,158 1,172 7,174 2,175 6,183 9,187 9,195 5,198 1,199 6,207 5,212 5,220 6,223 2,224 4,232 4,237 5,245 4,249 1,250 4,258 3,263 3,271 4,275 661,276 15.845,277 15.845,278 15.845,279 15.845,280 15.845,281 13.768,282 15.681,283 9.325,284 16.257,285 12.828,286 12.828,287 12.828,288 12.828,289 12.828,290 9.619,291 20.011,292 4.428,293 13.516,294 3.577,295 1.788,296 0.96,297 0.311,298 0.183,299 0.183,300 3.889,303 1,304 1,305 1,306 474,307 3,310 37.278,311 165.907,314 68.28,315 81.592,318 1.403,319 18.489,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49,331 213,332 4.567,333 3.722,334 6.754,335 4.17,336 3.225,337 4.266,338 1.2,339 11.072,340 3.043,341 4.243,342 3.323,343 6.497,344 3.926,345 2.972,346 3.722,347 1.151,348 9.943,349 2.827,350 3.943,351 2.739,352 5.846,353 3.495,354 2.548,355 3.506,356 0.293,357 8.085,358 2.411,359 3.604,360 2.592,361 5.516,362 3.175,363 2.194,364 2.967,366 6.877,367 2.142,368 3.04,369 2.198,370 4.776,371 2.69,372 1.776,373 2.234,375 5.069,376 1.616,377 3.022,378 1.754,379 4.5,380 2.613,381 1.66,382 2.16,384 4.19,385 1.57,386 2.884,387 1.686,388 3.833,389 2.417,390 1.43,391 2.049,393 3.118,394 1.407,395 2.641,396 1.487,397 3.647,398 2.121,399 1.169,400 1.648,402 2.831,403 1.093,404 2.5,405 1.036,406 3.58,407 1.958,408 1,409 1.5,411 2.353,412 0.955,413 2.353,414 1,415 3.247,416 1.84,417 0.897,418 1.284,420 2.136,421 0.832,422 1.868,423 0.981,424 3.172,425 1.446,426 0.527,427 0.662,428 1.324,429 0.463,430 1.8,431 0.752,432 3.081,433 1.35,434 0.395,435 0.531,436 0.918,437 0.377,438 0.853,439 -0.119,440 2.411,441 0.465,442 -0.48,443 -0.601,445 -1.193,446 -0.444,447 0.674,448 -0.498,449 2.311,450 0.257,451 -0.701,452 -0.889,454 -1.609,455 -0.661,456 0.651,457 -0.533,458 2.228,459 0.196,460 -0.75,461 -0.964,463 -1.845,464 -0.707,465 11.3,466 0.491,467 0.521,468 0.023,469 33.5,470 1.457,471 18.5,472 0.804,473 15,474 0.652,475 15.904,476 0.691,477 22.9,478 0.619,479 22.067,480 0.959,481 6.596,482 0.287,483 4.641,484 0.202,485 0.074,487 0.345,493 0.721,494 1.119,495 0.666,496 0.87,497 0.572,498 0.814,499 0.975,500 0.807,501 0.805,502 0.743,503 0.679,504 0.746,505 1.007,506 1.186,507 0.953,508 1.126,509 0.865,510 0.98,511 1.57,512 0.975,513 1.362,514 1.111,515 1.669,516 1.008,517 0.898,518 1.23,519 1.461,520 1.433,521 1.108,522 1.211,523 1.03,524 0.941,525 1.046,526 0.96,527 1.612,528 0.974,529 1.006,530 1.12,531 1.055,532 1.106,533 1.171,534 1.056,535 1.353,536 0.872,537 0.947,538 0.813,539 1.146,540 0.957,541 3.5,542 0.021,543 2.889,544 1.757,545 1.388,546 0.674,547 0.432,548 0.306,549 0.152,550 0.059,551 5781,552 15830,553 2.168,554 37.8,556 13,558 1,564 1.658,565 2.06,566 3.215,567 -0.772,569 1,571 1,573 60.388,574 1.632,575 3.422,576 4.25,577 4.898,578 5.027,579 5.027,580 2.682,581 4.176,582 4.497,583 3.309,584 837.075,585 7.744,586 9238.62,587 1,588 1,589 1,590 1,591 192.75,592 1.302,593 4.469,594 0.135,595 0.002,596 0.078,597 0.046,598 0.042,599 0.024,600 0.018,601 0.015,602 0.008,603 0.004,604 0.373,605 0.33,606 1,607 0.503,608 106.338,609 -0.016,610 -0.14,611 0.07,612 -0.014,613 -0.052,614 0.005,615 0.006,616 0.231,617 0.087,618 0.18,619 -0.022,620 0.115,621 -0.008,622 -0.183,623 0.068,624 -0.125,625 0.046,626 -0.067,627 -0.193,628 0.075,629 -0.161,630 -0.019,631 -0.155,632 -0.081,633 -0.055,634 -0.254,635 -0.228,636 -0.283,637 -0.037,638 -0.209,639 0.143,640 0.037,641 -0.002,642 0.043,643 0.015,644 0.03,645 -0.063,646 -0.17,647 -0.085,648 -0.131,649 -0.022,650 -0.074,651 -0.124,652 0.106,653 -0.115,654 0.05,655 -0.091,656 0.002,657 1.722,658 5.73,659 0.826,660 16.771,661 1.006,662 1.103,663 3.521,664 12.4,665 0.733,666 3.296,667 3.638,668 3.97,669 4.248,670 4.489,671 4.575,672 4.736,673 4.875,674 4.927,675 4.92,676 5.427,677 0.698,678 322.41,679 3.296,680 4.844,681 5.72,682 6.611,683 7.504,684 8.402,685 9.302,686 10.205,687 11.109,688 12.014,689 5.4,696 1,699 1,704 9,705 1,708 1,709 6,711 17,719 1,729 1,731 37,733 18,734 1,735 26,737 40,738 18,739 15,740 2,741 4,742 1,746 4,747 7,761 16,762 2,766 1,771 1,775 1,778 1,781 14,782 4,784 5,785 1,790 2,794 0.5,795 2,805 1,811 1,812 3,815 1,816 1,840 2,842 1,844 1,848 23,854 1,856 1,859 1,865 1,870 5.4,873 1,875 1,877 11.167,878 7.15,879 5,880 2.125,881 3.103,882 1.42,883 1.031,884 3.62,885 10.494,886 3.597,887 4.208,888 4.831,889 5.41,890 5.906,891 6.16,892 6.553,893 6.942,894 7.25,895 7.506,896 1,897 38,898 8.495,900 3.668,901 7.696,902 16.245,904 13.509,905 2.196,906 50.5,910 164.795,911 150.488,912 19.91,914 36.145,916 31.278,917 119.21,918 200.94,919 19.91,920 8.396,921 7.717,922 75.81,923 58.406,924 31.662,925 5.045,926 184.302,928 164.795,929 139.12,930 36.145,931 31.278,933 164.795,934 36.145,937 16.764,938 105.57,939 16.786,940 31.278,941 164.795,942 56.055,943 150.488,946 164.795,947 57.234,948 96.378,950 52.93,951 164.795,952 56.055,953 150.488,955 0.585,956 0.357,957 0.195,958 0.105,959 20,960 8,961 0.05,962 2,963 2,964 1.211,965 3.55,966 193.348,967 0.211,968 19,969 104.042,970 1,974 14.401,975 5.782,976 2.531,978 56.055,979 17.066,980 4.228,983 1.51,984 5.442,987 371.338,988 35.5,993 12.73,997 -0.055,999 37.236,1000 40.827,1001 0.313,1002 0.657,1003 0.816,1004 0.94,1005 0.965,1006 0.965,1007 4.83,1008 1.169,1009 5.707,1010 3.118,1011 4.317,1012 4.894,1013 1.876,1014 6.553,1015 4.212,1016 6.039,1017 1,1018 7.287,1019 2.831,1020 3.892,1021 4.605,1022 0.325,1023 7.509,1024 3.736,1025 7.347,1026 0.897,1027 8.972,1028 2.353,1029 5.938,1030 7.08,1031 2.085,1032 10.657,1033 5.729,1034 8.695,1035 0.527,1036 10.719,1037 2.136,1038 6.382,1039 7.655,1040 0.653,1041 12.451,1042 6.109,1043 10.078,1044 0.395,1045 12.505,1046 1.324,1047 7.873,1048 9.554,1049 2.336,1050 15.105,1051 7.557,1052 11.486,1053 -0.48,1054 14.318,1055 0.918,1056 8.705,1057 10.539,1058 1.001,1059 17.228,1060 8.32,1061 12.912,1062 -0.701,1063 16.148,1064 -1.193,1065 9.981,1066 12.189,1067 2.602,1068 19.713,1069 9.553,1070 3.225,1071 -0.75,1072 17.992,1073 -1.609,1074 10.989,1075 13.384,1076 1.37,1077 21.977,1078 10.491,1079 2.972,1080 11.072,1081 19.846,1082 -1.845,1083 12.181,1084 14.916,1085 2.878,1086 24.399,1087 11.637,1088 2.548,1089 9.943,1090 21.707,1091 4.266,1092 13.267,1093 16.222,1094 1.754,1095 26.728,1096 12.657,1097 2.194,1098 8.085,1099 23.574,1100 3.722,1101 14.43,1102 17.7,1103 3.162,1104 29.127,1105 13.768,1106 1.776,1107 6.877,1108 25.445,1109 3.506,1110 15.551,1111 19.066,1112 2.143,1113 31.486,1114 14.827,1115 1.66,1116 5.069,1117 27.321,1118 2.967,1119 16.704,1120 20.521,1121 3.453,1122 33.878,1123 15.926,1124 1.43,1125 4.19,1126 29.201,1127 2.234,1128 17.843,1129 21.92,1130 2.535,1131 36.253,1132 17.004,1133 5412,1134 9081,1135 17.8,1136 27.137,1137 40.162,1138 41.001,1139 40.592,1140 39.604,1141 39.586,1142 53.059,1143 5.287,1144 115.832,1145 37.473,1146 5.451,1147 5.722,1148 6.556,1149 5.299,1150 5.225,1151 7.266,1152 2.351,1153 18.357,1154 5.043,1155 7.927,1156 1.545,1157 1.577,1158 1.561,1159 1.523,1160 1.523,1161 2.041,1162 0.203,1163 4.455,1164 1.441,1165 4.055,1166 4.06,1167 4.294,1168 4.051,1169 7.428,1170 4.008,1171 3.877,1172 3.92,1173 3.823,1174 3.753,1175 4.919,1176 3.763,1177 3.71,1178 3.728,1179 3.753,1180 3.681,1181 4.881,1182 3.652,1183 3.405,1184 3.464,1185 3.319,1186 3.192,1187 4.46,1188 3.214,1189 3.12,1190 3.161,1191 3.129,1192 2.934,1193 4.243,1194 2.915,1195 2.897,1196 2.944,1197 2.785,1198 2.768,1199 4.023,1200 2.756,1201 2.8,1202 2.877,1203 2.688,1204 2.656,1205 3.822,1206 2.637,1207 2.731,1208 2.785,1209 2.637,1210 2.639,1211 3.609,1212 2.608,1213 0.176,1214 0.143,1215 0.26,1216 0.16,1217 0.124,1218 4.567,1219 0.164,1220 3.722,1221 0.046,1222 6.754,1223 0.426,1224 4.17,1225 0.117,1226 3.225,1227 4.266,1228 1.2,1229 11.072,1230 3.043,1231 1.929,1232 1.917,1233 2.014,1234 2.011,1235 1.166,1236 2.015,1237 1.834,1238 1.793,1239 1.948,1240 1.989,1241 0.976,1242 1.978,1243 1.578,1244 1.559,1245 1.709,1246 1.709,1247 0.871,1248 1.712,1249 1.427,1250 1.41,1251 1.625,1252 1.592,1253 0.715,1254 1.608,1255 1.192,1256 1.131,1257 1.31,1258 1.332,1259 0.554,1260 1.379,1261 0.925,1262 0.881,1263 1.165,1264 1.107,1265 0.29,1266 1.135,1267 0.823,1268 0.751,1269 1.118,1270 1.017,1271 0.178,1272 1.056,1273 0.71,1274 0.658,1275 0.974,1276 0.937,1277 0.136,1278 0.94,1279 3.97,1281 5.303,1282 2.398,1283 6.847,1284 4.727,1285 8.482,1286 6.862,1287 10.163,1289 1.744,1295 0.503,1297 5.758,1300 1.573,1305 25.82,1306 60.388,1307 126.611,1308 157.24,1309 181.24,1310 185.995,1311 185.995,1312 30.24,1313 7.391,1314 42.43,1315 70.67,1316 23,1317 12.533,1318 4.248,1319 3.392,1320 31.851,1321 75,1322 72,1323 0.212,1324 160.224,1325 272.15,1326 382.708,1327 15685,1329 15.811,1330 0.687,1331 0.58,1332 16.165,1333 13.339,1334 11.237,1335 0.432,1336 0.311,1337 7.256,1338 10.441,1339 6.99,1340 5.789,1341 11.645,1342 8.095,1343 10.057,1344 0.272,1345 0.172,1346 10.673,1347 6.354,1348 9.178,1349 0.177,1350 0.097,1351 10.053,1352 5.031,1353 7.593,1354 0.11,1355 0.055,1356 8.583,1357 3.799,1358 6.207,1359 0.071,1360 0.029,1361 7.077,1362 2.592,1363 0.326,1364 74.067,1365 0.237,1366 22.328,1367 0.601,1368 126,1369 369.622,1370 161.571,1371 377.916,1372 524.8,1373 356,1374 152,1375 375.468,1376 188.862,1377 397.403,1378 588.47,1379 374,1380 5}
{0 CHEMBL1796269,1 1.548,2 7.8,3 3.471,4 12.045,5 82.464,6 7.768,7 0.5,8 3.704,9 3.804,10 3.376,11 3.332,12 4.758,13 3.268,14 4.251,15 4.417,16 3.794,17 3.736,18 5.253,19 3.652,20 4.434,21 4.6,22 3.909,23 3.855,24 5.486,25 3.757,26 4.556,27 4.747,28 3.817,29 3.855,30 5.619,31 3.711,32 4.424,33 4.645,34 3.523,35 3.71,36 5.385,37 3.526,38 4.197,39 4.389,40 3.245,41 3.48,42 5.261,43 3.321,44 4.028,45 4.249,46 3.015,47 3.257,48 4.971,49 3.14,50 4.047,51 4.27,52 2.855,53 3.182,54 5.002,55 3.052,56 0.007,57 0.495,58 7.832,59 3.814,60 5.141,61 4.652,62 0.166,63 0.851,64 16.312,65 6.553,66 14.532,67 7.914,68 0.156,69 1.02,70 21.445,71 8.035,72 20.133,73 9.554,74 0.257,75 1.087,76 27.15,77 9.916,78 38.112,79 11.149,80 0.228,81 0.968,82 26.531,83 9.41,84 35.609,85 10.64,86 0.282,87 0.791,88 20.717,89 7.139,90 28.805,91 8.212,92 0.067,93 0.625,94 12.066,95 5.035,96 15.584,97 6.769,98 0.163,99 0.614,100 13.023,101 4.952,102 22.821,103 6.338,104 20,105 32,106 0.281,107 0.601,108 0.76,109 0.817,110 0.827,111 0.827,112 3.059,113 1.025,114 -4.23,115 -4.17,116 -3.94,119 43.2,120 2,124 1,125 1,127 1,142 5,143 2,144 1,152 2,158 1,172 5,174 1,175 5,183 9,187 7,195 5,199 6,207 5,212 2,220 8,223 2,224 2,232 3,237 4,245 2,250 4,258 2,271 4,275 400,276 13.276,277 13.276,278 13.276,279 13.276,280 13.276,281 11.926,282 15.681,283 7.608,284 13.64,285 10.808,286 10.808,287 10.808,288 10.808,289 10.808,290 8.612,291 20.011,292 3.572,293 11.404,294 3.662,295 1.898,296 1.024,297 0.71,298 0.656,299 0.656,300 3.733,303 1,304 1,305 1,306 332,307 3.391,310 31.898,311 80.236,314 57.525,315 67.737,318 1.24,319 15.451,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 42.5,331 156,332 4.564,333 3.715,334 6.752,335 4.168,336 3.222,337 4.264,338 1.2,339 11.064,340 3.042,341 4.179,342 3.322,343 6.438,344 3.891,345 2.931,346 3.669,347 1.151,348 9.667,349 2.805,350 3.797,351 2.671,352 5.785,353 3.434,354 2.483,355 3.119,356 0.293,357 7.809,358 2.361,359 3.266,360 2.5,361 5.344,362 3.022,363 2.047,364 2.378,366 6.189,367 1.982,368 3.024,369 2.197,370 4.773,371 2.69,372 1.775,373 2.161,375 5.066,376 1.612,377 2.888,378 1.705,379 4.116,380 2.424,381 1.435,382 2.051,384 3.144,385 1.415,386 2.588,387 1.487,388 3.823,389 2.164,390 1.221,391 1.547,393 3.115,394 1.126,395 2.34,396 1.052,397 3.59,398 1.838,399 0.893,400 1.255,402 2.338,403 0.83,404 1.805,405 0.981,406 3.159,407 1.417,408 0.524,409 0.656,411 1.316,412 0.453,413 1.651,414 0.752,415 2.87,416 1.324,417 0.34,418 0.419,420 0.749,421 0.331,422 0.853,423 -0.12,424 2.403,425 0.465,426 -0.48,427 -0.602,428 -1.194,429 -0.444,430 0.674,431 -0.5,432 2.304,433 0.257,434 -0.701,435 -0.889,436 -1.845,437 -0.661,438 0.311,439 -0.534,440 2,442 -1,443 -1,445 -2,446 -0.996,447 0.238,448 -0.923,449 2,450 -0.082,451 -1.059,452 -1.378,454 -2.835,455 -1,457 -1,458 1.552,459 -0.196,460 -1.196,461 -1.443,463 -3.195,464 -1.195,465 9.9,466 0.495,467 0.597,468 0.03,469 24.5,470 1.225,471 12,472 0.6,473 12.5,474 0.625,475 17.093,476 0.855,477 21.3,478 0.576,479 15.409,480 0.77,481 4.617,482 0.231,483 4.958,484 0.248,485 0.185,487 0.394,493 0.712,494 1.176,495 0.737,496 0.954,497 0.598,498 0.932,499 0.971,500 0.806,501 0.757,502 0.709,503 0.603,504 0.709,505 1.031,506 1.056,507 0.958,508 1.056,509 0.834,510 0.96,511 1.403,512 1.043,513 1.197,514 1.12,515 1.648,516 1.026,517 1.167,518 0.967,519 1.41,520 1.161,521 1.648,522 0.977,523 0.826,524 1.26,525 1.643,526 1.493,527 1.148,528 1.256,529 0.821,530 1.16,531 0.698,532 0.97,533 0.867,534 1.111,535 1.512,536 1.009,537 0.879,538 0.884,539 1.153,540 1.114,541 4,542 0.025,543 2.889,544 1.569,545 1.197,546 0.605,547 0.473,548 0.263,549 0.186,550 0.06,551 3455,552 8589,553 2.048,554 45.9,556 11,561 6,564 1.62,565 1.875,566 2.993,567 -0.787,569 1,571 1,573 57.263,574 1.548,575 3.311,576 4.186,577 4.5,578 4.554,579 4.554,580 2.466,581 3.622,582 4.294,583 3.088,584 586.795,585 7.347,586 5804.42,587 1,588 1,589 1,590 1,591 192.75,592 1.522,593 4.231,594 0.182,595 0.012,596 0.09,597 0.048,598 0.043,599 0.027,600 0.026,601 0.018,602 0.015,603 0.01,604 0.472,605 0.83,606 1,607 1.329,608 87.006,609 0.006,610 -0.117,611 0.08,612 -0.002,613 -0.06,614 0.009,615 0.026,616 0.264,617 0.192,618 0.26,619 0.048,620 0.231,621 -0.011,623 0.077,624 -0.038,625 0.051,626 -0.01,627 -0.12,628 -0.057,629 -0.036,630 -0.037,631 -0.127,632 -0.052,633 -0.132,634 0.025,635 -0.115,636 0.014,637 -0.177,638 0.043,639 0.195,640 -0.214,641 -0.389,642 -0.352,643 0.075,644 -0.27,645 0.008,646 -0.243,647 -0.043,648 -0.188,649 0.066,650 -0.169,651 -0.221,652 -0.104,653 -0.183,654 -0.111,655 -0.101,656 -0.202,657 1.586,658 5.411,659 0.65,660 13.2,661 0.997,662 1.112,663 3.001,664 9.008,665 0.693,666 3.135,667 3.497,668 3.807,669 4.06,670 4.29,671 4.419,672 4.585,673 4.71,674 4.682,675 4.575,676 4.747,677 0.645,678 287.41,679 3.135,680 4.691,681 5.565,682 6.46,683 7.354,684 8.257,685 9.16,686 10.066,687 10.973,688 11.882,689 2.7,696 1,704 5,708 1,709 5,711 11,719 1,729 1,731 37,733 12,734 1,735 22,737 39,738 16,739 10,740 2,741 4,742 1,746 3,747 6,752 2,758 1,761 11,762 5,766 1,771 1,775 1,777 1,778 1,781 17,782 3,784 4,785 1,790 1,794 0.333,795 2,811 1,812 2,815 1,816 1,840 1,842 1,844 3,848 20,854 1,856 1,858 1,859 1,865 1,870 5.4,873 1,875 1,877 10.667,878 7.7,879 4.333,880 2.275,881 2.286,882 1.332,883 0.976,884 3.548,885 9.169,886 3.384,887 3.984,888 4.591,889 5.162,890 5.641,891 5.991,892 6.379,893 6.748,894 6.999,895 7.156,896 1,897 33,898 7.417,900 3.148,901 7.658,902 14.345,904 11.896,905 2.158,906 43.167,907 0.001,910 200.109,911 128.334,912 3.124,914 36.145,916 31.278,917 97.056,918 236.254,919 3.124,920 26.047,921 7.717,922 47.381,923 29.85,924 22.614,925 2.717,926 231.386,928 200.109,929 100.181,930 36.145,931 31.278,933 129.482,934 106.771,937 25.367,938 74.814,940 31.278,941 200.109,942 39.269,943 128.334,946 200.109,947 54.906,948 76.552,950 36.145,951 200.109,952 39.269,953 128.334,955 0.595,956 0.359,957 0.182,958 0.096,959 17,960 8,961 0.051,962 2,963 2,964 1.308,965 3.145,966 156.008,967 0.308,968 13,969 84.439,970 1,974 13.624,975 5.208,976 2.385,978 39.269,979 9.954,983 1.561,984 5.038,987 367.712,988 28.5,993 12.411,997 0.08,999 36.902,1000 41.159,1001 0.297,1002 0.636,1003 0.804,1004 0.864,1005 0.874,1006 0.874,1007 4.642,1008 0.893,1009 5.58,1010 3.115,1011 4.174,1012 4.668,1013 1.876,1014 6.441,1015 4.069,1016 5.858,1017 0.524,1018 7.18,1019 2.338,1020 3.892,1021 4.527,1022 0.325,1023 7.441,1024 3.748,1025 7.178,1026 0.34,1027 8.881,1028 1.316,1029 5.82,1030 6.849,1031 2.085,1032 10.566,1033 5.614,1034 8.535,1035 -0.48,1036 10.639,1037 0.749,1038 6.347,1039 7.542,1040 0.653,1041 12.368,1042 6.09,1043 9.925,1044 -0.701,1045 12.432,1046 -1.194,1047 7.778,1048 9.349,1049 2.336,1050 15.018,1051 7.47,1052 11.34,1053 -1,1054 14.248,1055 -1.845,1056 8.653,1057 10.422,1058 1.001,1059 17.144,1060 8.285,1061 12.773,1062 -1.059,1063 16.081,1064 -2,1065 9.901,1066 12.019,1067 2.602,1068 19.627,1069 9.485,1070 3.222,1071 -1.196,1072 17.925,1073 -2.835,1074 10.929,1075 13.276,1076 1.37,1077 21.895,1078 10.451,1079 2.931,1080 11.064,1081 19.779,1082 -3.195,1083 12.11,1084 14.781,1085 2.878,1086 24.317,1087 11.582,1088 2.483,1089 9.667,1090 21.64,1091 4.264,1092 13.204,1093 16.129,1094 1.754,1095 26.649,1096 12.615,1097 2.047,1098 7.809,1099 23.506,1100 3.669,1101 14.362,1102 17.595,1103 3.162,1104 29.048,1105 13.721,1106 1.775,1107 6.189,1108 25.378,1109 3.119,1110 15.488,1111 18.988,1112 2.143,1113 31.411,1114 14.786,1115 1.435,1116 5.066,1117 27.253,1118 2.378,1119 16.639,1120 20.439,1121 3.453,1122 33.804,1123 15.883,1124 1.221,1125 3.144,1126 29.132,1127 2.161,1128 17.78,1129 21.856,1130 2.535,1131 36.182,1132 16.964,1133 3450,1134 5556,1135 14.334,1136 25.654,1137 34.295,1138 35.31,1139 35.198,1140 33.743,1141 33.744,1142 43.037,1143 5.287,1144 100.914,1145 31.917,1146 5.449,1147 5.715,1148 6.435,1149 5.292,1150 5.222,1151 7.264,1152 2.351,1153 18.321,1154 5.042,1155 10.65,1156 1.559,1157 1.605,1158 1.6,1159 1.534,1160 1.534,1161 1.956,1162 0.24,1163 4.587,1164 1.451,1165 4.052,1166 4.056,1167 4.293,1168 4.05,1169 7.428,1170 4.006,1171 3.779,1172 3.824,1173 3.769,1174 3.701,1175 4.909,1176 3.68,1177 3.635,1178 3.678,1179 3.573,1180 3.507,1181 4.465,1182 3.497,1183 3.274,1184 3.337,1185 3.167,1186 3.066,1187 4.3,1188 3.073,1189 3.093,1190 3.153,1191 3.046,1192 2.891,1193 4.221,1194 2.866,1195 2.897,1196 3.009,1197 2.736,1198 2.76,1199 3.803,1200 2.744,1201 2.874,1202 2.943,1203 2.688,1204 2.639,1205 3.608,1206 2.608,1207 2.727,1208 2.772,1209 2.587,1210 2.618,1211 3.467,1212 2.57,1213 0.207,1214 0.169,1215 0.307,1216 0.189,1217 0.146,1218 4.564,1219 0.194,1220 3.715,1221 0.055,1222 6.752,1223 0.503,1224 4.168,1225 0.138,1226 3.222,1227 4.264,1228 1.2,1229 11.064,1230 3.042,1231 1.929,1232 1.917,1233 2.014,1234 2.011,1235 1.166,1236 2.015,1237 1.718,1238 1.668,1239 1.941,1240 1.925,1241 1.139,1242 1.932,1243 1.534,1244 1.496,1245 1.696,1246 1.657,1247 0.872,1248 1.674,1249 1.371,1250 1.364,1251 1.586,1252 1.526,1253 0.681,1254 1.555,1255 1.137,1256 1.045,1257 1.417,1258 1.327,1259 0.551,1260 1.376,1261 0.934,1262 0.881,1263 1.308,1264 1.239,1265 0.469,1266 1.308,1267 0.925,1268 0.804,1269 1.165,1270 1.107,1271 0.29,1272 1.135,1273 0.705,1274 0.657,1275 0.974,1276 0.904,1277 0.137,1278 0.922,1279 3.807,1281 5.153,1282 2.398,1283 6.701,1284 4.727,1285 8.338,1286 6.862,1287 10.024,1289 5.879,1295 0.543,1297 5.733,1299 0.199,1300 1.768,1305 23.853,1306 57.263,1307 122.511,1308 154.875,1309 166.485,1310 168.485,1311 168.485,1312 29.363,1313 6.883,1314 29.54,1315 57.78,1316 17,1317 12.398,1318 3.7,1319 2.907,1320 29.888,1321 59,1322 48,1323 0.271,1324 150.421,1325 257.73,1326 358.787,1327 7675,1329 14.276,1330 0.714,1331 0.633,1332 14.629,1333 12.66,1334 9.575,1335 0.435,1336 0.342,1337 6.69,1338 8.838,1339 6.324,1340 5.298,1341 9.984,1342 7.514,1343 8.903,1344 0.278,1345 0.197,1346 9.519,1347 6.312,1348 7.836,1349 0.178,1350 0.11,1351 8.711,1352 4.828,1353 6.111,1354 0.107,1355 0.06,1356 7.101,1357 3.393,1358 4.845,1359 0.067,1360 0.033,1361 5.738,1362 2.361,1363 0.408,1364 63.642,1365 0.264,1366 19.492,1367 0.792,1368 108,1369 299.977,1370 141.795,1371 308.713,1372 426.07,1373 290,1374 130,1375 299.651,1376 164.697,1377 321.186,1378 476.14,1379 301,1380 5.284}
{0 CHEMBL1796270,1 1.517,2 8.524,3 3.936,4 15.493,5 87.042,6 7.536,7 0.478,8 3.773,9 3.877,10 3.416,11 3.393,12 4.802,13 3.325,14 4.329,15 4.502,16 3.82,17 3.803,18 5.296,19 3.71,20 4.524,21 4.698,22 3.926,23 3.915,24 5.538,25 3.799,26 4.67,27 4.907,28 3.849,29 3.891,30 5.624,31 3.748,32 4.39,33 4.558,34 3.573,35 3.785,36 5.406,37 3.618,38 4.497,39 4.751,40 3.429,41 3.615,42 5.53,43 3.45,44 4.091,45 4.269,46 3.165,47 3.434,48 5.07,49 3.282,50 4.222,51 4.476,52 2.911,53 3.322,54 5.057,55 3.166,56 0.015,57 0.536,58 8.84,59 4.187,60 5.634,61 5.209,62 0.182,63 0.918,64 18.062,65 7.19,66 15.7,67 8.888,68 0.132,69 1.1,70 23.702,71 9.157,72 20.991,73 11.228,74 0.366,75 1.223,76 31.736,77 10.532,78 42.994,79 12.358,80 0.106,81 0.969,82 23.925,83 9.172,84 20.444,85 10.528,86 0.425,87 0.982,88 24.997,89 8.609,90 53.78,91 10.702,92 0.084,93 0.714,94 17.661,95 6.509,96 15.915,97 7.605,98 0.201,99 0.725,100 16.269,101 6.041,102 24.725,103 8.015,104 21,105 33,106 0.271,107 0.591,108 0.772,109 0.824,110 0.833,111 0.833,112 3.104,113 1.041,114 -4.47,115 -4.4,116 -4.15,119 42.5,120 2,122 1,124 1,125 2,142 5,143 2,144 1,152 2,158 1,172 7,174 1,175 4,183 9,187 9,195 5,199 5,207 5,212 4,220 6,223 2,224 2,232 6,237 4,245 3,250 3,258 3,263 2,271 4,275 501,276 13.93,277 13.93,278 13.93,279 13.93,280 13.93,281 12.58,282 14.099,283 8.118,284 14.276,285 11.344,286 11.344,287 11.344,288 11.344,289 11.344,290 9.144,291 15.743,292 3.854,293 11.92,294 3.805,295 2.013,296 0.997,297 0.707,298 0.657,299 0.657,300 3.78,303 1,304 1,305 1,306 381,307 3.536,310 34.635,311 87.522,314 62.628,315 73.82,318 1.356,319 16.094,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 44.5,331 179,332 4.563,333 3.692,334 6.747,335 4.163,336 3.217,337 4.264,338 1.2,339 11.055,340 3.039,341 4.156,342 3.319,343 6.317,344 3.837,345 2.872,346 3.665,347 1.151,348 9.376,349 2.759,350 3.758,351 2.647,352 5.725,353 3.4,354 2.442,355 3.084,356 0.293,357 7.639,358 2.34,359 3.253,360 2.394,361 5.077,362 3.124,363 2.131,364 2.32,366 5.869,367 2.112,368 3.024,369 2.197,370 4.772,371 2.69,372 1.776,373 2.162,375 5.067,376 1.614,377 2.908,378 1.762,379 4.441,380 2.556,381 1.624,382 2.065,384 4.283,385 1.499,386 2.797,387 1.677,388 3.832,389 2.404,390 1.425,391 1.843,393 3.118,394 1.385,395 2.378,396 1.487,397 3.597,398 1.877,399 0.941,400 1.325,402 2.441,403 0.862,404 2.1,405 0.984,406 3.331,407 1.624,408 0.601,409 0.823,411 1.508,412 0.601,413 1.803,414 0.752,415 3.144,416 1.374,417 0.509,418 0.643,420 1.258,421 0.43,422 0.853,423 -0.108,424 2.417,425 0.471,426 -0.473,427 -0.498,428 -1.16,429 -0.438,430 0.674,431 -0.217,432 2.326,433 0.456,434 -0.503,435 -0.605,436 -1.202,437 -0.476,438 0.538,439 -0.503,440 2.279,441 0.257,442 -0.701,443 -0.889,445 -1.845,446 -0.661,447 0.308,448 -0.535,449 2,451 -1,452 -1,454 -2,455 -0.996,456 0.236,457 -0.928,458 1.766,459 -0.082,460 -1.059,461 -1.414,463 -2.838,464 -1,465 10.4,466 0.495,467 0.613,468 0.029,469 25,470 1.19,471 12,472 0.571,473 13,474 0.619,475 18.692,476 0.89,477 22.6,478 0.565,479 15.789,480 0.752,481 4.608,482 0.219,483 5.451,484 0.26,485 0.176,487 0.375,493 0.713,494 1.191,495 0.758,496 0.978,497 0.594,498 0.96,499 0.976,500 0.779,501 0.784,502 0.724,503 0.603,504 0.742,505 0.886,506 1.259,507 0.951,508 1.184,509 0.803,510 1.085,511 1.493,512 0.733,513 1.063,514 0.818,515 1.604,516 0.731,517 0.916,518 1.411,519 1.643,520 1.608,521 1.138,522 1.364,523 1.223,524 0.787,525 0.953,526 0.794,527 2.002,528 0.836,529 0.945,530 1.461,531 1.666,532 1.643,533 0.936,534 1.377,535 1.368,536 0.868,537 0.808,538 0.769,539 1.057,540 0.982,541 4.5,542 0.037,543 2.667,544 1.694,545 1.197,546 0.716,547 0.376,548 0.323,549 0.148,550 0.131,551 4060,552 9574,553 2.045,554 47.5,555 6,556 12,561 1,564 1.633,565 1.881,566 3.099,567 -0.797,569 1,573 60.68,574 1.517,575 3.309,576 4.325,577 4.615,578 4.665,579 4.665,580 2.553,581 3.88,582 4.362,583 3.214,584 674.914,585 7.481,586 6979.42,588 1,589 1,590 1,591 212.877,592 1.51,593 4.305,594 0.196,595 0.007,596 0.081,597 0.051,598 0.04,599 0.03,600 0.019,601 0.019,602 0.011,603 0.013,604 0.467,605 0.67,606 1,607 1.501,608 93.793,609 0.012,610 -0.111,611 0.081,612 -0.001,613 -0.046,614 0.01,615 0.02,616 0.296,617 0.173,618 0.256,619 0.05,620 0.214,621 0.064,622 -0.235,623 0.076,624 -0.153,625 0.069,626 -0.107,627 -0.139,628 0.285,629 0.112,630 0.232,631 -0.124,632 0.231,633 -0.078,634 -0.367,635 -0.363,636 -0.401,637 -0.055,638 -0.343,639 0.11,640 0.158,641 0.051,642 0.151,643 -0.047,644 0.117,645 -0.082,646 -0.413,647 -0.442,648 -0.488,649 0.003,650 -0.373,651 -0.184,652 0.028,653 -0.088,654 0.02,655 -0.092,656 -0.051,657 1.569,658 5.505,659 0.619,660 15.007,661 0.995,662 1.114,663 3.245,664 10.527,665 0.685,666 3.178,667 3.526,668 3.807,669 4.094,670 4.317,671 4.443,672 4.585,673 4.718,674 4.745,675 4.625,676 5.103,677 0.634,678 301.44,679 3.178,680 4.727,681 5.587,682 6.482,683 7.366,684 8.268,685 9.163,686 10.07,687 10.971,688 11.88,689 2.5,696 1,704 5,708 1,709 5,711 11,719 1,729 1,731 40,733 12,734 1,735 23,737 42,738 17,739 10,740 2,741 4,742 1,746 3,747 6,752 2,761 11,762 6,763 1,766 1,771 1,775 1,778 1,781 19,782 3,784 4,785 1,790 1,794 0.333,795 2,811 1,812 2,815 1,816 1,840 1,842 1,844 3,848 21,854 2,856 1,858 1,859 1,865 1,870 5,873 1,875 1,877 11.167,878 8.2,879 4.556,880 2.475,881 2.277,882 1.327,883 0.972,884 4.027,885 9.24,886 3.418,887 4.003,888 4.591,889 5.167,890 5.651,891 5.995,892 6.375,893 6.744,894 7.019,895 7.163,896 0.833,897 33,898 7.797,900 3.291,901 7.627,902 15.162,904 12.568,905 2.127,906 44.667,907 0.001,909 1,910 223.651,911 130.44,912 3.124,914 36.145,916 31.278,917 99.162,918 259.796,919 3.124,920 26.047,921 9.822,922 47.381,923 29.85,924 22.614,925 2.717,926 254.929,928 223.651,929 102.286,930 36.145,931 31.278,933 211.88,934 47.916,937 27.473,938 74.814,940 31.278,941 223.651,942 39.269,943 130.44,946 223.651,947 57.012,948 76.552,950 36.145,951 223.651,952 39.269,953 130.44,955 0.588,956 0.338,957 0.184,958 0.099,959 17,960 8,961 0.071,962 3,963 2,964 1.308,965 3.267,966 164.47,967 0.308,968 13,969 90.239,970 1,974 14.581,975 5.8,976 2.842,978 39.269,979 9.985,983 1.57,984 5.067,987 393.36,988 29.5,993 12.505,997 0.098,999 39.785,1000 44.574,1001 0.285,1002 0.622,1003 0.813,1004 0.867,1005 0.877,1006 0.877,1007 4.67,1008 0.941,1009 5.595,1010 3.118,1011 4.205,1012 4.687,1013 1.876,1014 6.438,1015 4.106,1016 5.878,1017 0.601,1018 7.177,1019 2.441,1020 3.892,1021 4.527,1022 0.325,1023 7.398,1024 3.762,1025 7.189,1026 0.509,1027 8.86,1028 1.508,1029 5.826,1030 6.851,1031 2.085,1032 10.522,1033 5.633,1034 8.537,1035 -0.473,1036 10.601,1037 1.258,1038 6.312,1039 7.532,1040 0.653,1041 12.305,1042 6.073,1043 9.92,1044 -0.503,1045 12.38,1046 -1.16,1047 7.753,1048 9.343,1049 2.336,1050 14.954,1051 7.462,1052 11.328,1053 -0.701,1054 14.184,1055 -1.202,1056 8.6,1057 10.412,1058 1.001,1059 17.077,1060 8.251,1061 12.756,1062 -1,1063 16.007,1064 -1.845,1065 9.854,1066 12.012,1067 2.602,1068 19.559,1069 9.455,1070 3.217,1071 -1.059,1072 17.844,1073 -2,1074 10.866,1075 13.268,1076 1.37,1077 21.828,1078 10.404,1079 2.872,1080 11.055,1081 19.691,1082 -2.838,1083 12.048,1084 14.775,1085 2.878,1086 24.249,1087 11.536,1088 2.442,1089 9.376,1090 21.547,1091 4.264,1092 13.136,1093 16.123,1094 1.754,1095 26.584,1096 12.56,1097 2.131,1098 7.639,1099 23.41,1100 3.665,1101 14.294,1102 17.59,1103 3.162,1104 28.984,1105 13.664,1106 1.776,1107 5.869,1108 25.278,1109 3.084,1110 15.416,1111 18.983,1112 2.143,1113 31.35,1114 14.725,1115 1.624,1116 5.067,1117 27.151,1118 2.32,1119 16.567,1120 20.435,1121 3.453,1122 33.744,1123 15.821,1124 1.425,1125 4.283,1126 29.028,1127 2.162,1128 17.706,1129 21.852,1130 2.535,1131 36.125,1132 16.899,1133 4044,1134 6351,1135 15.027,1136 27.415,1137 35.826,1138 36.607,1139 36.573,1140 35.056,1141 35.076,1142 44.387,1143 5.287,1144 103.227,1145 33.285,1146 5.452,1147 5.692,1148 6.43,1149 5.288,1150 5.217,1151 7.264,1152 2.351,1153 18.304,1154 5.039,1155 11.152,1156 1.558,1157 1.592,1158 1.59,1159 1.524,1160 1.525,1161 1.93,1162 0.23,1163 4.488,1164 1.447,1165 4.052,1166 4.056,1167 4.293,1168 4.05,1169 7.428,1170 4.006,1171 3.788,1172 3.839,1173 3.769,1174 3.701,1175 4.909,1176 3.682,1177 3.671,1178 3.706,1179 3.599,1180 3.575,1181 4.464,1182 3.556,1183 3.393,1184 3.464,1185 3.26,1186 3.173,1187 4.296,1188 3.188,1189 3.122,1190 3.164,1191 3.124,1192 2.931,1193 4.227,1194 2.91,1195 2.897,1196 3.009,1197 2.774,1198 2.766,1199 3.959,1200 2.754,1201 2.874,1202 2.945,1203 2.688,1204 2.639,1205 3.609,1206 2.609,1207 2.744,1208 2.853,1209 2.591,1210 2.618,1211 3.467,1212 2.57,1213 0.198,1214 0.161,1215 0.293,1216 0.181,1217 0.14,1218 4.563,1219 0.185,1220 3.692,1221 0.052,1222 6.747,1223 0.481,1224 4.163,1225 0.132,1226 3.217,1227 4.264,1228 1.2,1229 11.055,1230 3.039,1231 1.929,1232 1.917,1233 2.014,1234 2.011,1235 1.249,1236 2.015,1237 1.751,1238 1.695,1239 1.987,1240 1.942,1241 1.166,1242 1.958,1243 1.567,1244 1.537,1245 1.721,1246 1.708,1247 0.881,1248 1.721,1249 1.425,1250 1.404,1251 1.644,1252 1.6,1253 0.767,1254 1.62,1255 1.2,1256 1.135,1257 1.417,1258 1.335,1259 0.561,1260 1.381,1261 0.934,1262 0.881,1263 1.317,1264 1.239,1265 0.469,1266 1.308,1267 0.925,1268 0.804,1269 1.228,1270 1.108,1271 0.409,1272 1.143,1273 0.784,1274 0.678,1275 1.165,1276 1.078,1277 0.289,1278 1.134,1279 3.85,1281 5.187,1282 2.398,1283 6.718,1284 4.727,1285 8.342,1286 6.862,1287 10.018,1289 6.103,1295 1.318,1297 5.75,1299 0.47,1300 1.8,1305 25.379,1306 60.68,1307 132.355,1308 173.003,1309 184.612,1310 186.612,1311 186.612,1312 32.166,1313 6.963,1314 29.54,1315 57.78,1316 17,1317 12.397,1318 3.7,1319 2.907,1320 32.158,1321 65,1322 61,1323 0.256,1324 160.013,1325 275.03,1326 382.193,1327 8632,1329 14.983,1330 0.713,1331 0.637,1332 15.336,1333 13.367,1334 10.059,1335 0.437,1336 0.347,1337 7.155,1338 9.329,1339 6.766,1340 5.7,1341 10.467,1342 7.98,1343 9.407,1344 0.285,1345 0.209,1346 10.023,1347 6.882,1348 7.696,1349 0.175,1350 0.107,1351 8.571,1352 4.719,1353 6.497,1354 0.11,1355 0.065,1356 7.496,1357 3.815,1358 5.092,1359 0.069,1360 0.032,1361 5.939,1362 2.39,1363 0.391,1364 66.579,1365 0.258,1366 20.537,1367 0.734,1368 112,1369 303.977,1370 145.462,1371 313.278,1372 430.63,1373 294,1374 133,1375 300.299,1376 167.864,1377 323.316,1378 478.68,1379 302,1380 4.77}
{0 CHEMBL1796271,1 1.64,2 9.4,3 5.307,4 28.159,5 102.635,6 9.022,7 0.607,8 3.828,9 3.908,10 3.615,11 3.522,12 4.942,13 3.469,14 4.344,15 4.467,16 4.035,17 3.931,18 5.431,19 3.855,20 4.591,21 4.73,22 4.23,23 4.082,24 5.707,25 4,26 4.638,27 4.777,28 4.185,29 4.104,30 5.774,31 3.981,32 4.591,33 4.749,34 3.956,35 4.016,36 5.719,37 3.861,38 4.489,39 4.697,40 3.839,41 3.808,42 5.547,43 3.66,44 4.273,45 4.46,46 3.618,47 3.611,48 5.437,49 3.504,50 4.17,51 4.361,52 3.438,53 3.552,54 5.17,55 3.44,56 0.016,57 0.494,58 6.078,59 3.634,60 4.756,61 4.289,62 0.164,63 0.866,64 13.559,65 6.534,66 13.532,67 7.427,68 0.239,69 1.095,70 22.628,71 9.102,72 22.133,73 10.043,74 0.28,75 1.159,76 26.761,77 10.298,78 35.105,79 10.507,80 0.317,81 1.105,82 32.239,83 10.961,84 42.454,85 11.557,86 0.228,87 1.024,88 26.171,89 9.276,90 35.78,91 10.545,92 0.356,93 0.81,94 19.039,95 6.878,96 40.322,97 7.736,98 0.121,99 0.712,100 13.885,101 5.971,102 19.484,103 7.369,104 10,105 40,106 0.286,107 0.599,108 0.741,109 0.862,110 0.896,111 0.896,112 3.268,113 0.988,114 -5.43,115 -5.31,116 -4.96,119 48.8,121 1,124 1,125 1,142 9,143 2,144 3,152 2,158 1,172 9,174 1,175 4,183 12,187 10,195 10,199 7,207 8,212 7,220 8,224 3,232 8,236 2,237 4,245 7,250 2,258 8,263 1,271 7,275 815,276 17.052,277 17.052,278 17.052,279 17.052,280 17.052,281 14.922,282 15.614,283 9.97,284 17.526,285 13.795,286 13.795,287 13.795,288 13.795,289 13.795,290 10.506,291 15.921,292 4.698,293 14.631,294 3.718,295 1.92,296 1.104,297 0.409,298 0.214,299 0.214,300 3.966,301 1,304 1,305 1,306 517,307 3.082,310 39.099,311 129.794,312 56.287,315 81.96,316 95.205,318 1.424,319 20.883,322 0.75,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.84,330 52.833,331 235,332 4.559,333 3.737,334 6.757,335 4.165,336 3.219,337 4.256,338 1.2,339 11.061,340 3.041,341 4.329,342 3.278,343 6.609,344 3.985,345 3.037,346 3.877,347 0.86,348 10.354,349 2.869,350 4.051,351 3.118,352 6.025,353 3.606,354 2.66,355 3.635,356 0.293,357 8.553,358 2.499,359 3.697,360 2.735,361 5.691,362 3.303,363 2.337,364 3.036,366 7.407,367 2.244,368 3.067,369 2.194,370 4.903,371 2.736,372 1.815,373 2.247,375 5.07,376 1.656,377 3.021,378 2.172,379 4.72,380 2.678,381 1.754,382 2.147,384 4.925,385 1.61,386 2.905,387 1.741,388 4.068,389 2.443,390 1.46,391 2.077,393 3.222,394 1.43,395 2.859,396 1.576,397 3.859,398 2.351,399 1.414,400 2.008,402 3.166,403 1.253,404 2.647,405 1.52,406 3.614,407 2.157,408 1.181,409 1.659,411 2.904,412 1.134,413 2.372,414 1.183,415 3.591,416 1.942,417 0.98,418 1.318,420 2.415,421 0.934,422 2.128,423 1.028,424 3.363,425 1.677,426 0.793,427 1.042,428 2.061,429 0.682,430 1.922,431 0.863,432 3.19,433 1.46,434 0.457,435 0.617,436 1.063,437 0.443,438 1.157,439 0.336,440 2.661,441 0.868,442 -0.069,443 -0.081,445 -0.169,446 -0.063,447 1,448 0.202,449 2.507,450 0.531,451 -0.286,452 -0.343,454 -0.611,455 -0.19,456 0.847,457 -0.163,458 2.311,459 0.49,460 -0.441,461 -0.541,463 -1.143,464 -0.405,465 12.614,466 0.505,467 0.61,468 0.024,469 34.25,470 1.37,471 18.5,472 0.74,473 15.75,474 0.63,475 20.448,476 0.818,477 25.186,478 0.614,479 23.448,480 0.938,481 6.629,482 0.265,483 5.518,484 0.221,485 0.123,487 0.349,493 0.658,494 1.05,495 0.595,496 0.813,497 0.55,498 0.796,499 0.892,500 0.878,501 0.703,502 0.743,503 0.632,504 0.764,505 1.025,506 1.062,507 0.871,508 1.001,509 0.834,510 0.892,511 1.343,512 1.117,513 1.253,514 1.185,515 1.49,516 1.084,517 1.044,518 1.176,519 1.571,520 1.47,521 1.134,522 1.252,523 0.97,524 1.064,525 0.787,526 0.962,527 1.453,528 0.983,529 1.094,530 0.876,531 0.989,532 0.871,533 1.571,534 0.896,535 0.841,536 1.018,537 0.769,538 0.912,539 0.93,540 1.029,541 4,542 0.058,543 3.333,544 2.319,545 1.519,546 0.813,547 0.418,548 0.4,549 0.213,550 0.12,551 6954,552 20215,553 2.13,554 39,556 14,561 2,564 1.682,565 2,566 3.219,567 -0.79,573 67.221,574 1.64,575 3.438,576 4.253,577 4.949,578 5.144,579 5.144,580 2.649,581 4.404,582 4.619,583 3.342,584 1002.58,585 7.995,586 11753.1,591 219.66,592 1.388,593 4.579,594 0.143,595 0.004,596 0.083,597 0.052,598 0.038,599 0.025,600 0.015,601 0.016,602 0.01,603 0.006,604 0.392,605 0.67,606 0.88,607 0.553,608 118.749,609 -0.01,610 -0.08,611 0.04,612 0.006,613 -0.045,614 0.017,615 -0.008,616 0.146,617 0.074,618 0.154,619 -0.002,620 0.101,621 0.019,622 -0.065,623 0.072,624 -0.029,625 0.044,626 0.023,627 -0.176,628 -0.097,629 -0.141,630 -0.11,631 -0.154,632 -0.151,633 -0.055,634 -0.179,635 -0.319,636 -0.318,637 0.011,638 -0.252,639 -0.025,640 -0.057,641 0.137,642 0.053,643 -0.061,644 0.032,645 0.104,646 0.146,647 -0.036,648 0.088,649 0.006,650 0.065,651 -0.048,652 -0.072,653 -0.023,654 -0.055,655 -0.041,656 -0.064,657 1.718,658 5.96,659 0.8,660 18.496,661 1.005,662 1.1,663 4.2,664 17.64,665 0.744,666 3.367,667 3.714,668 4.043,669 4.317,670 4.533,671 4.654,672 4.771,673 4.905,674 5.037,675 5.069,676 5.619,677 0.7,678 369.89,679 3.367,680 4.92,681 5.796,682 6.688,683 7.58,684 8.479,685 9.376,686 10.278,687 11.178,688 12.082,689 2.4,696 1,704 9,708 1,709 7,711 17,719 1,729 1,730 1,731 41,733 18,734 2,735 28,737 44,738 20,739 16,740 4,741 8,742 1,746 4,747 7,748 1,755 1,758 1,761 17,762 3,766 1,771 1,775 1,781 16,782 3,784 5,785 2,790 1,794 0.5,795 2,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,845 1,848 25,854 2,856 1,859 1,865 1,869 1,870 4.9,873 1,875 1,877 12.5,878 7.843,879 5.444,880 2.44,881 3.162,882 1.417,883 1.022,884 4.527,885 10.743,886 3.651,887 4.266,888 4.886,889 5.457,890 5.938,891 6.198,892 6.542,893 6.907,894 7.258,895 7.543,896 1,897 45,898 9.251,900 3.995,901 7.691,902 17.752,904 14.85,905 2.191,906 54.778,910 188.338,911 157.381,912 3.124,913 39.149,914 36.145,916 31.278,917 126.103,918 263.631,919 3.124,920 8.396,921 10.251,922 85.286,923 29.85,924 28.872,925 2.717,926 219.615,927 39.149,928 188.338,929 129.227,930 36.145,931 70.426,933 164.795,934 59.687,937 10.251,938 118.976,939 39.149,940 31.278,941 188.338,942 39.269,943 196.529,946 188.338,947 63.698,948 96.807,950 75.293,951 188.338,952 39.269,953 196.529,955 0.587,956 0.361,957 0.198,958 0.104,959 21,960 9,961 0.045,962 2,963 2,964 1.2,965 3.638,966 218.587,967 0.2,968 20,969 116.096,970 1,974 16.615,975 6.811,976 3.069,978 39.269,979 17.337,983 1.514,984 6.191,987 424.136,988 37.5,993 12.96,997 -0.051,999 41.225,1000 45.103,1001 0.306,1002 0.642,1003 0.794,1004 0.924,1005 0.96,1006 0.96,1007 4.892,1008 1.414,1009 5.79,1010 3.222,1011 4.394,1012 4.952,1013 1.679,1014 6.642,1015 4.278,1016 6.106,1017 1.181,1018 7.377,1019 3.166,1020 4.007,1021 4.732,1022 0.325,1023 7.621,1024 3.803,1025 7.421,1026 0.98,1027 9.069,1028 2.904,1029 6.023,1030 7.15,1031 1.728,1032 10.768,1033 5.803,1034 8.775,1035 0.793,1036 10.823,1037 2.415,1038 6.494,1039 7.782,1040 0.653,1041 12.576,1042 6.181,1043 10.164,1044 0.457,1045 12.615,1046 2.061,1047 7.965,1048 9.643,1049 1.872,1050 15.23,1051 7.635,1052 11.576,1053 -0.069,1054 14.432,1055 1.063,1056 8.813,1057 10.667,1058 1.001,1059 17.361,1060 8.395,1061 13.007,1062 -0.286,1063 16.268,1064 -0.169,1065 10.077,1066 12.293,1067 2.071,1068 19.846,1069 9.631,1070 3.219,1071 -0.441,1072 18.116,1073 -0.611,1074 11.092,1075 13.509,1076 1.37,1077 22.113,1078 10.567,1079 3.037,1080 11.061,1081 19.974,1082 -1.143,1083 12.277,1084 15.026,1085 2.309,1086 24.535,1087 11.713,1088 2.66,1089 10.354,1090 21.839,1091 4.256,1092 13.365,1093 16.34,1094 1.754,1095 26.864,1096 12.73,1097 2.337,1098 8.553,1099 23.709,1100 3.877,1101 14.523,1102 17.807,1103 2.576,1104 29.261,1105 13.841,1106 1.815,1107 7.407,1108 25.584,1109 3.635,1110 15.643,1111 19.173,1112 2.143,1113 31.619,1114 14.897,1115 1.754,1116 5.07,1117 27.463,1118 3.036,1119 16.793,1120 20.618,1121 2.865,1122 34.008,1123 15.994,1124 1.46,1125 4.925,1126 29.345,1127 2.247,1128 17.928,1129 22.013,1130 2.535,1131 36.381,1132 17.069,1133 6568,1134 11323,1135 18.898,1136 30.512,1137 42.971,1138 43.943,1139 44.209,1140 42.461,1141 42.216,1142 55.838,1143 4.706,1144 124.4,1145 39.588,1146 5.43,1147 5.737,1148 6.443,1149 5.316,1150 5.219,1151 7.256,1152 2.293,1153 18.469,1154 5.041,1155 10.462,1156 1.535,1157 1.569,1158 1.579,1159 1.516,1160 1.508,1161 1.994,1162 0.168,1163 4.443,1164 1.414,1165 4.053,1166 4.06,1167 4.291,1168 4.051,1169 7.428,1170 4.007,1171 3.908,1172 3.934,1173 4.004,1174 3.844,1175 4.938,1176 3.839,1177 3.732,1178 3.75,1179 3.77,1180 3.701,1181 4.879,1182 3.675,1183 3.455,1184 3.509,1185 3.376,1186 3.269,1187 4.476,1188 3.273,1189 3.283,1190 3.341,1191 3.297,1192 3.104,1193 4.346,1194 3.088,1195 2.918,1196 2.962,1197 3.249,1198 2.801,1199 4.32,1200 2.775,1201 2.879,1202 2.922,1203 2.797,1204 2.772,1205 4.026,1206 2.761,1207 2.835,1208 2.875,1209 2.782,1210 2.716,1211 3.611,1212 2.708,1213 0.163,1214 0.133,1215 0.241,1216 0.149,1217 0.115,1218 4.559,1219 0.152,1220 3.737,1221 0.043,1222 6.757,1223 0.395,1224 4.165,1225 0.109,1226 3.219,1227 4.256,1228 1.2,1229 11.061,1230 3.041,1231 1.897,1232 1.882,1233 1.985,1234 1.99,1235 1.159,1236 1.994,1237 1.89,1238 1.866,1239 1.981,1240 1.966,1241 1.09,1242 1.975,1243 1.662,1244 1.63,1245 1.84,1246 1.797,1247 1.07,1248 1.812,1249 1.484,1250 1.474,1251 1.65,1252 1.662,1253 0.739,1254 1.667,1255 1.193,1256 1.137,1257 1.417,1258 1.379,1259 0.574,1260 1.411,1261 1.142,1262 1.099,1263 1.214,1264 1.257,1265 0.502,1266 1.294,1267 0.869,1268 0.824,1269 1.131,1270 1.036,1271 0.19,1272 1.073,1273 0.852,1274 0.795,1275 1.119,1276 1.024,1277 0.183,1278 1.067,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.844,1285 8.532,1286 7.034,1287 10.195,1289 1.755,1290 6.233,1295 1.415,1297 5.816,1300 1.607,1305 28.68,1306 67.221,1307 140.949,1308 174.375,1309 202.905,1310 210.905,1311 210.905,1312 37.738,1313 7.581,1314 29.54,1315 57.78,1316 24,1317 12.602,1318 4.248,1319 3.392,1320 35.855,1321 85,1322 76,1323 0.211,1324 180.948,1325 310.96,1326 433.272,1327 20344,1328 2.4,1329 17.389,1330 0.696,1331 0.609,1332 18.242,1333 15.233,1334 12.148,1335 0.434,1336 0.329,1337 8.048,1338 11.124,1339 7.729,1340 6.368,1341 12.845,1342 9.219,1343 10.939,1344 0.273,1345 0.183,1346 11.925,1347 7.335,1348 9.88,1349 0.176,1350 0.104,1351 11.113,1352 5.817,1353 8.233,1354 0.111,1355 0.06,1356 9.561,1357 4.476,1358 6.552,1359 0.071,1360 0.033,1361 7.643,1362 3.001,1363 0.324,1364 82.253,1365 0.23,1366 23.874,1367 0.601,1368 136,1369 388.18,1370 185.314,1371 426.634,1372 580.03,1373 400,1374 164,1375 390.866,1376 210.9,1377 422.777,1378 627.3,1379 399,1380 7.788}
{0 CHEMBL1796272,1 1.612,2 9.462,3 5.763,4 33.209,5 107.236,6 8.725,7 0.586,8 3.888,9 3.975,10 3.646,11 3.573,12 4.979,13 3.515,14 4.414,15 4.548,16 4.058,17 3.982,18 5.471,19 3.899,20 4.672,21 4.828,22 4.249,23 4.133,24 5.746,25 4.042,26 4.747,27 4.897,28 4.25,29 4.194,30 5.845,31 4.073,32 4.711,33 4.867,34 4.092,35 4.156,36 5.813,37 4,38 4.65,39 4.859,40 3.927,41 3.967,42 5.664,43 3.805,44 4.446,45 4.649,46 3.701,47 3.731,48 5.567,49 3.614,50 4.317,51 4.524,52 3.514,53 3.645,54 5.315,55 3.533,56 0.007,57 0.538,58 7.188,59 4.045,60 4.715,61 4.887,62 0.152,63 0.941,64 15.675,65 7.267,66 13.98,67 8.542,68 0.232,69 1.2,70 26.02,71 10.155,72 24.382,73 11.68,74 0.308,75 1.294,76 30.857,77 11.583,78 37.324,79 12.247,80 0.277,81 1.256,82 34.78,83 12.298,84 41.723,85 13.422,86 0.241,87 1.209,88 31.847,89 11.212,90 37.722,91 12.775,92 0.358,93 0.967,94 22.642,95 8.211,96 43.402,97 9.656,98 0.178,99 0.84,100 17.401,101 6.92,102 28.06,103 8.493,104 10,105 41,106 0.277,107 0.596,108 0.753,109 0.865,110 0.896,111 0.896,112 3.305,113 1.005,114 -5.65,115 -5.52,116 -5.15,119 47.7,121 2,124 1,125 1,142 9,143 2,144 3,152 2,158 1,172 10,174 1,175 4,183 13,187 10,195 11,199 7,207 10,212 8,220 10,224 5,232 10,236 2,237 4,245 7,250 2,258 9,263 1,271 10,275 908,276 17.759,277 17.759,278 17.759,279 17.759,280 17.759,281 15.63,282 17.1,283 10.47,284 18.233,285 14.295,286 14.295,287 14.295,288 14.295,289 14.295,290 11.006,291 17.523,292 4.945,293 15.136,294 3.848,295 1.991,296 1.075,297 0.426,298 0.244,299 0.244,300 4.003,301 1,305 1,306 539,307 3.082,310 39.422,311 131.317,313 67.201,316 93.224,317 105.673,318 1.426,319 21.317,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 54.833,331 246,332 4.555,333 3.737,334 6.755,335 4.161,336 3.215,337 4.253,338 1.2,339 11.056,340 3.037,341 4.328,342 3.262,343 6.609,344 3.983,345 3.035,346 3.877,347 0.86,348 10.353,349 2.867,350 4.055,351 3.117,352 6.027,353 3.613,354 2.667,355 3.639,356 0.293,357 8.561,358 2.507,359 3.707,360 2.78,361 5.7,362 3.321,363 2.355,364 3.042,366 7.436,367 2.258,368 3.07,369 2.193,370 4.905,371 2.78,372 1.846,373 2.249,375 5.074,376 1.707,377 3.019,378 2.157,379 4.697,380 2.683,381 1.762,382 2.138,384 4.868,385 1.614,386 2.917,387 1.77,388 4.071,389 2.46,390 1.481,391 2.091,393 3.262,394 1.445,395 2.859,396 1.577,397 3.879,398 2.351,399 1.414,400 2.009,402 3.195,403 1.266,404 2.662,405 1.542,406 3.63,407 2.236,408 1.246,409 1.679,411 2.931,412 1.213,413 2.433,414 1.33,415 3.598,416 2.059,417 1.107,418 1.41,420 2.677,421 1.039,422 2.287,423 1.029,424 3.502,425 1.761,426 0.853,427 1.208,428 2.308,429 0.755,430 1.925,431 0.889,432 3.199,433 1.489,434 0.498,435 0.64,436 1.15,437 0.479,438 1.535,439 0.622,440 2.904,441 1.273,442 0.332,443 0.396,445 0.77,446 0.306,447 1.052,448 0.334,449 2.601,450 0.727,451 -0.206,452 -0.248,454 -0.522,455 -0.188,456 1,457 0.015,458 2.317,459 0.531,460 -0.286,461 -0.342,463 -0.609,464 -0.19,465 13.114,466 0.504,467 0.61,468 0.023,469 34.75,470 1.337,471 18.5,472 0.712,473 16.25,474 0.625,475 22.461,476 0.864,477 26.486,478 0.602,479 24.092,480 0.927,481 6.629,482 0.255,483 6.018,484 0.231,485 0.118,487 0.336,493 0.657,494 1.066,495 0.611,496 0.835,497 0.546,498 0.823,499 0.879,500 0.908,501 0.712,502 0.773,503 0.62,504 0.8,505 0.994,506 1.045,507 0.85,508 0.982,509 0.808,510 0.884,511 1.417,512 1.035,513 1.192,514 1.092,515 1.458,516 1.005,517 0.966,518 1.211,519 1.507,520 1.466,521 1.056,522 1.255,523 0.98,524 1.111,525 0.92,526 1.078,527 1.352,528 1.048,529 1.067,530 0.972,531 0.935,532 0.91,533 1.57,534 0.939,535 1.068,536 0.894,537 0.764,538 0.801,539 1.303,540 0.924,541 4,542 0.064,543 3.333,544 2.319,545 1.544,546 0.969,547 0.443,548 0.431,549 0.237,550 0.13,551 7622,552 21415,553 2.124,554 40.9,555 2,556 14,561 2,564 1.694,565 2,566 3.224,567 -0.798,573 70.918,574 1.612,575 3.469,576 4.385,577 5.033,578 5.215,579 5.215,580 2.623,581 4.624,582 4.676,583 3.356,584 1090.63,585 8.117,586 13181.5,591 240.215,592 1.37,593 4.637,594 0.138,595 0.004,596 0.081,597 0.05,598 0.035,599 0.026,600 0.015,601 0.016,602 0.01,603 0.006,604 0.381,605 0.67,606 0.88,607 0.54,608 125.075,609 -0.004,610 -0.075,611 0.043,612 0.008,613 -0.033,614 0.018,615 0.005,616 0.122,617 0.076,618 0.136,619 0.013,620 0.085,621 0.041,622 -0.044,623 0.1,624 -0.002,625 0.065,626 0.052,627 -0.182,628 -0.016,629 -0.099,630 -0.028,631 -0.145,632 -0.067,633 -0.027,634 -0.209,635 -0.284,636 -0.32,637 0.027,638 -0.266,639 -0.047,640 -0.102,641 0.039,642 -0.032,643 -0.064,644 -0.042,645 0.116,646 0.043,647 -0.016,648 0.032,649 0.015,650 0.021,651 -0.116,652 0.085,653 -0.01,654 0.06,655 -0.114,656 0.032,657 1.715,658 6.045,659 0.808,660 19.544,661 1.002,662 1.103,663 4.419,664 19.526,665 0.733,666 3.401,667 3.738,668 4.06,669 4.331,670 4.543,671 4.654,672 4.812,673 4.913,674 5.024,675 5.118,676 5.709,677 0.687,678 383.92,679 3.401,680 4.949,681 5.82,682 6.708,683 7.596,684 8.491,685 9.386,686 10.285,687 11.182,688 12.083,689 2.3,696 1,704 9,708 1,709 7,711 17,719 1,729 1,730 1,731 44,733 18,734 2,735 29,737 47,738 21,739 16,740 4,741 8,742 1,746 4,747 7,748 1,755 2,758 2,761 17,762 4,766 1,771 1,775 1,781 18,782 3,784 5,785 2,790 1,794 0.5,795 2,811 1,812 2,814 1,817 1,818 1,840 2,842 1,844 1,845 1,848 26,854 3,856 1,859 1,865 1,869 1,870 4.5,873 1,875 1,877 13,878 8.343,879 5.694,880 2.69,881 3.155,882 1.411,883 1.014,884 5.008,885 10.823,886 3.676,887 4.28,888 4.893,889 5.461,890 5.94,891 6.192,892 6.543,893 6.884,894 7.209,895 7.52,896 1,897 46,898 9.632,900 4.14,901 7.665,902 18.569,904 15.517,905 2.165,906 56.278,910 211.88,911 159.915,912 3.124,913 39.149,914 36.145,916 31.278,917 128.637,918 287.173,919 3.124,920 8.396,921 12.786,922 85.286,923 29.85,924 28.872,925 2.717,926 243.158,927 39.149,928 211.88,929 131.762,930 36.145,931 70.426,933 188.338,934 59.687,937 12.786,938 118.976,939 39.149,940 31.278,941 211.88,942 39.269,943 199.064,946 211.88,947 66.233,948 96.807,950 75.293,951 211.88,952 39.269,953 199.064,955 0.583,956 0.357,957 0.197,958 0.105,959 21,960 9,961 0.043,962 2,963 2,964 1.19,965 3.707,966 230.226,967 0.19,968 21,969 122.211,970 1,974 17.564,975 7.414,976 3.414,978 39.269,979 17.441,983 1.523,984 6.271,987 450.213,988 38.5,993 13.045,997 -0.048,999 44.109,1000 48.518,1001 0.295,1002 0.635,1003 0.803,1004 0.922,1005 0.955,1006 0.955,1007 4.914,1008 1.414,1009 5.808,1010 3.262,1011 4.419,1012 4.966,1013 1.679,1014 6.653,1015 4.305,1016 6.121,1017 1.246,1018 7.39,1019 3.195,1020 4.007,1021 4.732,1022 0.325,1023 7.621,1024 3.803,1025 7.432,1026 1.107,1027 9.077,1028 2.931,1029 6.038,1030 7.155,1031 1.728,1032 10.77,1033 5.821,1034 8.783,1035 0.853,1036 10.828,1037 2.677,1038 6.494,1039 7.782,1040 0.653,1041 12.576,1042 6.181,1043 10.169,1044 0.498,1045 12.618,1046 2.308,1047 7.971,1048 9.644,1049 1.872,1050 15.231,1051 7.645,1052 11.58,1053 0.332,1054 14.434,1055 1.15,1056 8.811,1057 10.666,1058 1.001,1059 17.36,1060 8.394,1061 13.009,1062 -0.206,1063 16.269,1064 0.77,1065 10.078,1066 12.292,1067 2.071,1068 19.845,1069 9.635,1070 3.215,1071 -0.286,1072 18.117,1073 -0.522,1074 11.087,1075 13.507,1076 1.37,1077 22.111,1078 10.563,1079 3.035,1080 11.056,1081 19.974,1082 -0.609,1083 12.273,1084 15.024,1085 2.309,1086 24.532,1087 11.712,1088 2.667,1089 10.353,1090 21.839,1091 4.253,1092 13.357,1093 16.337,1094 1.754,1095 26.861,1096 12.725,1097 2.355,1098 8.561,1099 23.709,1100 3.877,1101 14.515,1102 17.804,1103 2.576,1104 29.258,1105 13.836,1106 1.846,1107 7.436,1108 25.584,1109 3.639,1110 15.632,1111 19.169,1112 2.143,1113 31.615,1114 14.889,1115 1.762,1116 5.074,1117 27.462,1118 3.042,1119 16.781,1120 20.613,1121 2.865,1122 34.004,1123 15.986,1124 1.481,1125 4.868,1126 29.344,1127 2.249,1128 17.915,1129 22.007,1130 2.535,1131 36.376,1132 17.059,1133 7214,1134 12229,1135 19.592,1136 32.273,1137 44.189,1138 45.377,1139 45.434,1140 43.867,1141 43.622,1142 57.261,1143 4.706,1144 127.28,1145 40.989,1146 5.48,1147 5.737,1148 6.459,1149 5.292,1150 5.215,1151 7.253,1152 2.293,1153 18.464,1154 5.037,1155 10.76,1156 1.524,1157 1.565,1158 1.567,1159 1.513,1160 1.504,1161 1.975,1162 0.162,1163 4.389,1164 1.413,1165 4.049,1166 4.059,1167 4.289,1168 4.049,1169 7.428,1170 4.004,1171 3.908,1172 3.933,1173 4.004,1174 3.843,1175 4.938,1176 3.838,1177 3.745,1178 3.764,1179 3.775,1180 3.709,1181 4.869,1182 3.684,1183 3.534,1184 3.584,1185 3.421,1186 3.39,1187 4.494,1188 3.372,1189 3.355,1190 3.418,1191 3.348,1192 3.151,1193 4.346,1194 3.161,1195 2.989,1196 3.036,1197 3.263,1198 2.803,1199 4.343,1200 2.795,1201 2.906,1202 2.944,1203 2.918,1204 2.796,1205 4.029,1206 2.777,1207 2.879,1208 2.922,1209 2.789,1210 2.775,1211 3.719,1212 2.763,1213 0.157,1214 0.129,1215 0.233,1216 0.143,1217 0.111,1218 4.555,1219 0.147,1220 3.737,1221 0.041,1222 6.755,1223 0.381,1224 4.161,1225 0.105,1226 3.215,1227 4.253,1228 1.2,1229 11.056,1230 3.037,1231 1.925,1232 1.909,1233 2.026,1234 2.011,1235 1.276,1236 2.019,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.087,1242 1.994,1243 1.671,1244 1.633,1245 1.869,1246 1.794,1247 1.055,1248 1.822,1249 1.497,1250 1.479,1251 1.659,1252 1.673,1253 0.768,1254 1.676,1255 1.279,1256 1.245,1257 1.52,1258 1.463,1259 0.691,1260 1.484,1261 1.19,1262 1.131,1263 1.263,1264 1.295,1265 0.551,1266 1.346,1267 0.887,1268 0.844,1269 1.136,1270 1.098,1271 0.318,1272 1.118,1273 0.869,1274 0.824,1275 1.128,1276 1.026,1277 0.187,1278 1.07,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.727,1285 8.548,1286 6.843,1287 10.213,1289 1.762,1290 6.255,1295 2.532,1297 5.881,1300 1.615,1305 30.207,1306 70.918,1307 152.627,1308 192.931,1309 221.46,1310 229.46,1311 229.46,1312 40.567,1313 7.668,1314 29.54,1315 57.78,1316 25,1317 12.605,1318 4.248,1319 3.392,1320 37.901,1321 90,1322 82,1323 0.21,1324 190.54,1325 328.26,1326 456.678,1327 23119,1328 2.3,1329 18.096,1330 0.696,1331 0.613,1332 18.949,1333 15.94,1334 12.648,1335 0.436,1336 0.335,1337 8.548,1338 11.624,1339 8.219,1340 6.784,1341 13.345,1342 9.719,1343 11.292,1344 0.275,1345 0.188,1346 12.279,1347 7.688,1348 10.13,1349 0.178,1350 0.106,1351 11.363,1352 6.036,1353 8.404,1354 0.112,1355 0.062,1356 9.732,1357 4.65,1358 6.704,1359 0.072,1360 0.034,1361 7.794,1362 3.169,1363 0.322,1364 85.253,1365 0.226,1366 24.653,1367 0.601,1368 140,1369 392.18,1370 189.314,1371 430.796,1372 585.79,1373 404,1374 168,1375 394.866,1376 214.9,1377 426.935,1378 632.98,1379 403,1380 5}
{0 CHEMBL1796273,1 1.719,2 11.414,3 4.427,4 19.597,5 115.717,6 8.895,7 0.531,8 3.981,9 4.07,10 3.739,11 3.626,12 5.127,13 3.585,14 4.498,15 4.632,16 4.162,17 4.028,18 5.646,19 3.966,20 4.744,21 4.883,22 4.336,23 4.189,24 5.915,25 4.123,26 4.802,27 4.95,28 4.326,29 4.239,30 5.964,31 4.13,32 4.788,33 4.943,34 4.136,35 4.171,36 5.957,37 4.042,38 4.724,39 4.928,40 4.096,41 4.003,42 5.846,43 3.884,44 4.566,45 4.748,46 3.915,47 3.887,48 5.714,49 3.789,50 4.499,51 4.675,52 3.838,53 3.865,54 5.578,55 3.76,56 0.054,57 0.637,58 7.431,59 4.355,60 7.156,61 4.976,62 0.268,63 1.064,64 16.561,65 7.743,66 21.789,67 8.85,68 0.42,69 1.328,70 25.875,71 10.065,72 42.639,73 10.663,74 0.401,75 1.396,76 30.773,77 12.011,78 44.618,79 12.82,80 0.452,81 1.349,82 36.266,83 12.727,84 57.751,85 13.426,86 0.46,87 1.293,88 30.812,89 10.806,90 58.413,91 12.527,92 0.507,93 1.095,94 25.583,95 9.094,96 52.934,97 9.972,98 0.252,99 1.009,100 19.734,101 8.403,102 35.528,103 9.796,104 28,105 46,106 0.289,107 0.634,108 0.794,109 0.878,110 0.892,111 0.892,112 3.408,113 0.969,114 -4.6,115 -4.52,116 -4.25,119 45.8,120 1,121 1,124 1,125 1,142 8,143 2,144 4,152 2,158 2,172 7,174 1,175 5,178 1,180 3,183 11,187 9,192 1,195 9,199 9,202 1,204 1,207 10,212 8,220 6,223 1,224 5,229 3,232 8,236 2,237 4,242 1,245 7,250 3,258 11,263 2,266 2,271 8,275 1268,276 19.361,277 19.361,278 19.361,279 19.361,280 19.361,281 17.052,282 22.454,283 11.259,284 19.857,285 15.778,286 15.778,287 15.778,288 15.778,289 15.778,290 12.14,291 27.385,292 5.34,293 16.647,294 3.866,295 1.817,296 0.865,297 0.365,298 0.281,299 0.281,300 4.102,301 1,304 1,305 1,306 711,307 3.742,310 50.642,311 154.982,312 69.79,315 102.438,316 115.576,318 1.905,319 30.437,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62.333,331 331,332 4.567,333 3.737,334 6.761,335 4.173,336 3.225,337 4.271,338 1.907,339 11.081,340 3.052,341 4.339,342 3.535,343 6.612,344 3.995,345 3.047,346 3.889,347 1.2,348 10.363,349 2.88,350 4.112,351 3.286,352 6.038,353 3.676,354 2.726,355 3.725,356 0.86,357 8.65,358 2.581,359 3.812,360 3.12,361 5.743,362 3.448,363 2.481,364 3.156,365 0.293,366 7.68,367 2.374,368 3.596,369 2.778,370 5.341,371 3.235,372 2.259,373 2.854,374 0.149,375 6.784,376 2.197,377 3.258,378 2.342,379 4.899,380 2.848,381 1.836,382 2.448,384 5.067,385 1.847,386 3.047,387 2.189,388 4.715,389 2.73,390 1.815,391 2.217,393 4.938,394 1.641,395 3.02,396 2.141,397 4.386,398 2.659,399 1.732,400 2.147,402 4.443,403 1.593,404 2.859,405 1.741,406 4.069,407 2.351,408 1.414,409 2.009,411 3.22,412 1.253,413 2.651,414 1.576,415 3.878,416 2.162,417 1.191,418 1.667,420 2.937,421 1.138,422 2.443,423 1.183,424 3.605,425 1.985,426 1.016,427 1.41,428 2.667,429 0.976,430 2.133,431 1.041,432 3.401,433 1.734,434 0.849,435 1.059,436 2.142,437 0.733,438 1.923,439 1.023,440 3.2,441 1.462,442 0.463,443 0.622,445 1.079,446 0.446,447 1.336,448 0.613,449 2.799,450 0.971,451 0.009,452 0.011,454 0.024,455 0.009,456 1.103,457 0.336,458 2.702,459 0.826,460 -0.105,461 -0.121,463 -0.272,464 -0.096,465 14.348,466 0.495,467 0.822,468 0.028,469 39,470 1.345,471 20.5,472 0.707,473 18.5,474 0.638,475 25.367,476 0.875,477 30.052,478 0.626,479 29.326,480 1.011,481 7.596,482 0.262,483 6.339,484 0.219,485 0.166,487 0.376,493 0.679,494 1.125,495 0.614,496 0.853,497 0.548,498 0.824,499 0.776,500 0.94,501 0.678,502 0.764,503 0.551,504 0.762,505 1.187,506 1.009,507 0.946,508 0.96,509 1.051,510 0.9,511 1.046,512 1.074,513 1.172,514 1.161,515 1.035,516 1.061,517 1.077,518 1.173,519 1.496,520 1.429,521 1.054,522 1.245,523 0.883,524 1.06,525 0.727,526 0.927,527 1.082,528 0.955,529 1.128,530 0.893,531 1.057,532 0.92,533 1.128,534 0.904,535 0.887,536 1.063,537 0.84,538 1.038,539 1.083,540 1.086,541 6,542 0.132,543 3.556,544 2.757,545 1.911,546 1.143,547 0.66,548 0.559,549 0.365,550 0.221,551 10430,552 32838,553 2.07,554 39.6,556 13,559 1,560 3,561 2,564 1.72,565 1.912,566 3.464,567 -0.336,569 1,573 82.505,574 1.719,575 3.768,576 4.72,577 5.22,578 5.304,579 5.304,580 2.974,581 4.651,582 4.825,583 3.629,584 1473.52,585 8.41,586 19477.6,588 1,590 1,591 268.078,592 1.487,593 4.777,594 0.188,595 0.007,596 0.077,597 0.054,598 0.04,599 0.028,600 0.018,601 0.016,602 0.012,603 0.008,604 0.448,605 0.33,606 1,607 0.94,608 146.485,609 -0.038,610 -0.073,611 0.035,612 0.013,613 -0.054,614 0.022,615 0.05,616 0.113,617 0.117,618 0.165,619 0.062,620 0.136,621 -0.126,622 0.031,623 -0.006,624 0.017,625 -0.102,626 0.006,627 -0.075,628 -0.059,629 -0.085,630 -0.08,631 -0.061,632 -0.098,633 -0.095,634 -0.189,635 -0.301,636 -0.292,637 -0.049,638 -0.248,639 0.064,640 -0.069,641 0.174,642 0.059,643 0.001,644 0.043,645 -0.022,646 0.124,647 -0.062,648 0.09,649 -0.031,650 0.063,651 -0.053,652 -0.105,653 -0.024,654 -0.101,655 -0.098,656 -0.114,657 1.8,658 6.087,659 0.69,660 28.849,661 1.011,662 1.109,663 3.37,664 11.358,665 0.724,666 3.497,667 3.85,668 4.143,669 4.431,670 4.654,671 4.82,672 4.97,673 5.136,674 5.283,675 5.366,676 6.627,677 0.686,678 426.95,679 3.497,680 5.056,681 5.922,682 6.817,683 7.701,684 8.602,685 9.496,686 10.4,687 11.299,688 12.205,689 4.2,696 2,704 8,708 1,709 8,711 17,719 1,729 1,730 1,731 48,733 19,734 2,735 32,737 51,738 22,739 16,740 5,741 7,742 1,746 4,747 7,748 1,752 1,755 1,758 1,761 18,762 4,766 2,771 2,775 2,778 1,781 19,782 5,783 1,784 7,785 2,790 2,794 0.5,795 3,811 1,812 2,813 1,816 1,817 1,826 1,840 2,842 1,844 2,845 1,848 29,854 2,855 1,856 1,859 1,865 1,869 1,870 6.3,873 2,875 1,877 15.167,878 9.426,879 6.278,880 2.801,881 3.233,882 1.407,883 1.003,884 5.724,885 11.175,886 3.773,887 4.385,888 4.962,889 5.548,890 6.042,891 6.364,892 6.735,893 7.137,894 7.501,895 7.815,896 0.875,897 51,898 10.732,900 4.62,901 7.831,902 20.312,904 16.766,905 2.331,906 67.611,909 1,910 211.88,911 164.191,912 21.135,913 39.149,914 61.29,916 31.278,917 132.913,918 312.318,919 21.135,920 17.222,921 28.262,922 75.81,923 59.699,924 31.629,925 2.717,926 243.158,927 39.149,928 211.88,929 154.048,930 61.29,931 70.426,933 188.338,934 84.832,937 37.087,938 116.961,939 39.149,940 31.278,941 211.88,942 82.425,943 203.34,946 211.88,947 71.159,948 96.156,949 18.011,950 100.438,951 211.88,952 82.425,953 203.34,955 0.589,956 0.344,957 0.189,958 0.101,959 23,960 11,961 0.059,962 3,963 2,964 1.2,965 3.944,966 264.096,967 0.2,968 20,969 140.881,970 1,974 20.081,975 8.267,976 4.084,978 82.425,979 14.816,983 1.446,984 6.269,986 18.011,987 497.644,988 42.5,993 24.417,997 -0.237,999 48.538,1000 53.226,1001 0.308,1002 0.675,1003 0.845,1004 0.935,1005 0.95,1006 0.95,1007 5.026,1008 1.732,1009 5.927,1010 4.938,1011 4.533,1012 5.072,1013 2.434,1014 6.772,1015 4.427,1016 6.247,1017 1.414,1018 7.51,1019 4.443,1020 4.205,1021 4.934,1022 1.668,1023 7.73,1024 4.038,1025 7.566,1026 1.191,1027 9.194,1028 3.22,1029 6.159,1030 7.26,1031 3.13,1032 10.859,1033 5.956,1034 8.919,1035 1.016,1036 10.936,1037 2.937,1038 6.635,1039 7.923,1040 3.076,1041 12.636,1042 6.358,1043 10.303,1044 0.849,1045 12.715,1046 2.667,1047 8.081,1048 9.739,1049 4.13,1050 15.287,1051 7.772,1052 11.709,1053 0.463,1054 14.52,1055 2.142,1056 8.92,1057 10.775,1058 4.43,1059 17.401,1060 8.534,1061 13.133,1062 0.009,1063 16.344,1064 1.079,1065 10.172,1066 12.379,1067 5.286,1068 19.884,1069 9.75,1070 3.225,1071 -0.105,1072 18.182,1073 0.024,1074 11.178,1075 13.601,1076 5.759,1077 22.144,1078 10.682,1079 3.047,1080 11.081,1081 20.031,1082 -0.272,1083 12.357,1084 15.108,1085 6.515,1086 24.564,1087 11.818,1088 2.726,1089 10.363,1090 21.888,1091 4.271,1092 13.438,1093 16.425,1094 7.072,1095 26.891,1096 12.831,1097 2.481,1098 8.65,1099 23.752,1100 3.889,1101 14.592,1102 17.888,1103 7.776,1104 29.288,1105 13.936,1106 2.259,1107 7.68,1108 25.622,1109 3.725,1110 15.708,1111 19.257,1112 8.376,1113 31.645,1114 14.99,1115 1.836,1116 6.784,1117 27.497,1118 3.156,1119 16.855,1120 20.7,1121 9.053,1122 34.035,1123 16.085,1124 1.815,1125 5.067,1126 29.375,1127 2.854,1128 17.989,1129 22.097,1130 9.674,1131 36.408,1132 17.159,1133 10034,1134 17928,1135 21.096,1136 34.733,1137 49.004,1138 50.604,1139 50.545,1140 48.344,1141 48.128,1142 62.97,1143 8.818,1144 142.152,1145 45.438,1146 5.444,1147 5.737,1148 6.445,1149 5.324,1150 5.225,1151 7.271,1152 3.306,1153 18.489,1154 5.052,1155 15.734,1156 1.531,1157 1.581,1158 1.58,1159 1.511,1160 1.504,1161 1.968,1162 0.276,1163 4.442,1164 1.42,1165 4.061,1166 4.069,1167 4.292,1168 4.054,1169 7.431,1170 4.012,1171 3.911,1172 3.938,1173 4.004,1174 3.844,1175 7.426,1176 3.84,1177 3.77,1178 3.791,1179 3.82,1180 3.721,1181 4.938,1182 3.699,1183 3.522,1184 3.56,1185 3.454,1186 3.303,1187 4.873,1188 3.324,1189 3.434,1190 3.489,1191 3.348,1192 3.249,1193 4.482,1194 3.252,1195 3.283,1196 3.341,1197 3.29,1198 3.102,1199 4.348,1200 3.088,1201 2.928,1202 2.989,1203 3.249,1204 2.801,1205 4.333,1206 2.776,1207 2.879,1208 2.922,1209 2.808,1210 2.772,1211 4.027,1212 2.764,1213 0.143,1214 0.117,1215 0.211,1216 0.13,1217 0.101,1218 4.567,1219 0.133,1220 3.737,1221 0.06,1222 6.761,1223 0.346,1224 4.173,1225 0.095,1226 3.225,1227 4.271,1228 1.907,1229 11.081,1230 3.052,1231 1.906,1232 1.89,1233 1.982,1234 1.997,1235 1.165,1236 1.996,1237 1.891,1238 1.867,1239 1.978,1240 1.989,1241 1.096,1242 1.991,1243 1.664,1244 1.632,1245 1.841,1246 1.797,1247 1.078,1248 1.813,1249 1.496,1250 1.485,1251 1.702,1252 1.702,1253 0.742,1254 1.699,1255 1.44,1256 1.393,1257 1.65,1258 1.662,1259 0.72,1260 1.666,1261 1.191,1262 1.128,1263 1.415,1264 1.377,1265 0.574,1266 1.411,1267 1.125,1268 1.086,1269 1.21,1270 1.266,1271 0.498,1272 1.297,1273 0.869,1274 0.824,1275 1.133,1276 1.071,1277 0.191,1278 1.094,1279 4.174,1281 5.517,1282 2.398,1283 7.043,1284 4.844,1285 8.655,1286 7.034,1287 10.314,1289 3.197,1290 6.254,1295 1.216,1296 2.772,1297 5.887,1300 1.574,1305 32.943,1306 82.505,1307 180.859,1308 226.568,1309 250.568,1310 254.568,1311 254.568,1312 53.211,1313 7.943,1314 58.64,1315 86.88,1316 24,1317 12.725,1318 4.322,1319 3.524,1320 44.717,1321 116,1322 117,1323 0.194,1324 207.996,1325 362.71,1326 499.269,1327 31512,1328 2.1,1329 20.543,1330 0.708,1331 0.606,1332 21.397,1333 17.564,1334 13.936,1335 0.435,1336 0.323,1337 9.133,1338 12.764,1339 8.748,1340 7.227,1341 14.632,1342 10.333,1343 12.963,1344 0.282,1345 0.179,1346 13.949,1347 8.231,1348 10.866,1349 0.175,1350 0.101,1351 12.099,1352 6.232,1353 9.236,1354 0.111,1355 0.058,1356 10.564,1357 4.806,1358 7.274,1359 0.07,1360 0.031,1361 8.351,1362 3.202,1363 0.302,1364 93.964,1365 0.218,1366 27.35,1367 0.537,1368 156,1369 478.248,1370 209.582,1371 510.231,1372 685.52,1373 476,1374 186,1375 462.755,1376 235.894,1377 494.107,1378 727.68,1379 465,1380 8.745}
{0 CHEMBL1796274,1 1.761,2 12.067,3 5.07,4 25.706,5 117.341,6 9.04,7 0.515,8 4.011,9 4.094,10 3.778,11 3.624,12 5.182,13 3.597,14 4.528,15 4.654,16 4.191,17 4.024,18 5.724,19 3.973,20 4.735,21 4.864,22 4.368,23 4.193,24 5.914,25 4.134,26 4.835,27 4.976,28 4.353,29 4.238,30 6.043,31 4.143,32 4.813,33 4.969,34 4.175,35 4.168,36 5.989,37 4.054,38 4.72,39 4.901,40 4.143,41 4.019,42 5.89,43 3.915,44 4.623,45 4.811,46 3.973,47 3.924,48 5.764,49 3.829,50 4.576,51 4.749,52 3.915,53 3.853,54 5.671,55 3.781,56 0.093,57 0.656,58 7.279,59 4.501,60 8.115,61 4.883,62 0.512,63 1.076,64 17.149,65 7.871,66 34.835,67 8.544,68 0.421,69 1.312,70 24.36,71 10.123,72 32.324,73 10.738,74 0.565,75 1.44,76 30.788,77 11.965,78 58.976,79 12.046,80 0.593,81 1.367,82 37.539,83 12.941,84 63.672,85 13.329,86 0.616,87 1.274,88 28.827,89 10.426,90 60.662,91 11.689,92 0.53,93 1.154,94 26.608,95 9.674,96 54.364,97 10.925,98 0.463,99 1.051,100 22.774,101 8.868,102 46.604,103 9.596,104 29,105 47,106 0.295,107 0.636,108 0.799,109 0.881,110 0.895,111 0.895,112 3.441,113 0.95,114 -4.23,115 -4.17,116 -3.94,119 44.9,121 1,124 2,125 1,142 8,143 2,144 4,152 2,158 1,159 1,172 7,174 2,175 4,178 2,180 2,183 11,187 9,192 1,195 9,199 11,202 1,204 1,207 8,212 9,220 5,223 2,224 5,229 3,232 7,236 2,237 4,242 1,245 7,250 6,258 8,263 3,266 2,271 7,275 1436,276 20.231,277 20.231,278 20.231,279 20.231,280 20.231,281 17.975,282 23.372,283 11.734,284 20.933,285 16.189,286 16.189,287 16.189,288 16.189,289 16.189,290 12.546,291 27.721,292 5.485,293 17.256,294 3.853,295 1.821,296 0.847,297 0.357,298 0.276,299 0.276,300 4.135,301 1,304 1,305 1,306 775,307 3.873,310 53.784,311 161.852,312 73.612,315 108.151,316 121.362,318 2.076,319 32.757,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 65.333,331 362,332 4.568,333 3.737,334 6.761,335 4.173,336 3.225,337 4.271,338 2.186,339 11.081,340 3.052,341 4.339,342 3.643,343 6.612,344 3.995,345 3.047,346 3.889,347 1.2,348 10.363,349 2.88,350 4.114,351 3.288,352 6.038,353 3.678,354 2.731,355 3.726,356 0.86,357 8.652,358 2.576,359 3.826,360 3.121,361 5.746,362 3.457,363 2.504,364 3.162,365 0.366,366 7.704,367 2.363,368 3.634,369 2.78,370 5.391,371 3.254,372 2.296,373 2.889,374 0.293,375 6.914,376 2.182,377 3.306,378 2.349,379 4.906,380 2.891,381 1.926,382 2.523,384 5.275,385 1.843,386 3.048,387 2.19,388 4.784,389 2.731,390 1.815,391 2.218,393 5.003,394 1.641,395 3.02,396 2.142,397 4.637,398 2.66,399 1.738,400 2.147,402 4.82,403 1.593,404 2.859,405 1.741,406 4.069,407 2.351,408 1.414,409 2.009,411 3.221,412 1.253,413 2.651,414 1.576,415 3.879,416 2.162,417 1.191,418 1.667,420 2.938,421 1.138,422 2.444,423 1.461,424 3.605,425 1.987,426 1.019,427 1.413,428 2.674,429 0.977,430 2.133,431 1.183,432 3.401,433 1.737,434 0.853,435 1.059,436 2.144,437 0.736,438 1.923,439 1.039,440 3.201,441 1.462,442 0.468,443 0.624,445 1.082,446 0.448,447 1.517,448 1.023,449 2.946,450 1.255,451 0.39,452 0.423,454 0.611,455 0.334,456 1.319,457 0.492,458 2.735,459 0.918,460 -0.04,461 -0.049,463 -0.097,464 -0.038,465 14.681,466 0.489,467 0.784,468 0.026,469 40,470 1.333,471 20.5,472 0.683,473 19.5,474 0.65,475 25.939,476 0.865,477 31.519,478 0.643,479 31.18,480 1.039,481 7.966,482 0.266,483 6.507,484 0.217,485 0.162,487 0.368,493 0.733,494 1.177,495 0.609,496 0.894,497 0.562,498 0.837,499 0.808,500 0.816,501 0.7,502 0.681,503 0.556,504 0.716,505 0.954,506 1.112,507 0.907,508 1.031,509 0.819,510 0.934,511 1.146,512 1.068,513 1.224,514 1.152,515 1.307,516 1.08,517 1.072,518 1.114,519 1.468,520 1.365,521 1.05,522 1.177,523 0.826,524 1.1,525 0.77,526 0.968,527 1.113,528 1.021,529 0.862,530 0.968,531 0.984,532 0.981,533 1.026,534 0.94,535 1.144,536 0.988,537 0.834,538 0.976,539 1.136,540 0.991,541 6,542 0.152,543 3.778,544 2.757,545 1.911,546 1.143,547 0.68,548 0.587,549 0.365,550 0.245,551 11519,552 38323,553 2.067,554 38.8,556 16,559 1,561 2,564 1.728,565 1.915,566 3.534,567 -0.316,573 86.303,574 1.761,575 3.794,576 4.768,577 5.257,578 5.339,579 5.339,580 3.057,581 4.64,582 4.873,583 3.695,584 1607.19,585 8.505,586 21924.9,588 1,591 275.121,592 1.475,593 4.828,594 0.182,595 0.007,596 0.08,597 0.052,598 0.039,599 0.027,600 0.018,601 0.016,602 0.011,603 0.008,604 0.44,605 0.17,606 1,607 1.085,608 153.709,609 -0.051,610 -0.111,611 0.036,612 -0.014,613 -0.053,614 0.008,615 0.11,616 0.245,617 0.103,618 0.258,619 0.091,620 0.177,621 -0.066,622 -0.077,623 0.025,624 -0.039,625 -0.02,626 -0.01,627 -0.156,628 -0.025,629 -0.145,630 -0.076,631 -0.149,632 -0.132,633 -0.111,634 -0.126,635 -0.266,636 -0.219,637 -0.044,638 -0.166,639 0.093,640 -0.1,641 0.117,642 0.012,643 -0.022,644 -0.039,645 0.043,646 0.04,647 -0.004,648 0.027,649 0.005,650 0.058,651 -0.12,652 -0.036,653 0.009,654 -0.035,655 -0.131,656 -0.021,657 2.212,658 6.107,659 0.667,660 32.24,661 1.018,662 1.111,663 3.004,664 9.025,665 0.718,666 3.526,667 3.871,668 4.174,669 4.443,670 4.673,671 4.836,672 4.99,673 5.165,674 5.323,675 5.403,676 6.903,677 0.687,678 442.95,679 3.526,680 5.081,681 5.948,682 6.838,683 7.724,684 8.621,685 9.515,686 10.417,687 11.315,688 12.22,689 4.1,696 2,704 8,708 1,709 8,711 17,719 1,727 1,729 1,730 1,731 49,733 19,734 2,735 33,737 52,738 22,739 16,740 5,741 7,742 1,746 4,747 7,748 1,755 1,758 1,761 18,762 4,766 2,771 2,775 2,781 19,782 6,783 1,784 8,785 2,790 2,794 0.5,795 4,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 2,845 1,848 30,854 2,855 1,856 2,859 1,865 1,869 1,870 8.2,873 2,875 2,877 15.667,878 9.593,879 6.611,880 2.759,881 3.226,882 1.402,883 0.993,884 6.202,885 11.243,886 3.795,887 4.398,888 4.983,889 5.552,890 6.049,891 6.372,892 6.746,893 7.153,894 7.525,895 7.835,896 1,897 53,898 11.087,900 4.747,901 7.87,902 20.846,904 17.01,905 2.37,906 71.111,909 1,910 211.88,911 168.307,912 21.135,913 39.149,914 72.29,916 31.278,917 137.029,918 323.318,919 21.135,920 19.279,921 28.262,922 75.81,923 54.995,924 42.628,925 9.479,926 243.158,927 39.149,928 211.88,929 158.164,930 72.29,931 70.426,933 188.338,934 95.832,937 28.262,938 129.902,939 39.149,940 31.278,941 211.88,942 93.425,943 207.455,946 211.88,947 73.217,948 98.214,949 18.011,950 111.438,951 211.88,952 93.425,953 207.455,955 0.586,956 0.353,957 0.185,958 0.099,959 23,960 11,961 0.077,962 4,963 2,964 1.2,965 4.036,966 274.891,967 0.2,968 20,969 145.207,970 1,974 21.003,975 8.859,976 4.305,978 93.425,979 14.612,983 1.426,984 5.991,986 18.011,987 512.76,988 43.5,993 24.582,997 -0.663,999 49.865,1000 54.435,1001 0.314,1002 0.676,1003 0.849,1004 0.936,1005 0.951,1006 0.951,1007 5.045,1008 1.738,1009 5.948,1010 5.003,1011 4.554,1012 5.085,1013 2.631,1014 6.79,1015 4.432,1016 6.26,1017 1.414,1018 7.531,1019 4.82,1020 4.205,1021 4.934,1022 1.847,1023 7.745,1024 4.015,1025 7.578,1026 1.191,1027 9.214,1028 3.221,1029 6.18,1030 7.27,1031 3.622,1032 10.872,1033 5.955,1034 8.931,1035 1.019,1036 10.955,1037 2.938,1038 6.648,1039 7.93,1040 3.615,1041 12.645,1042 6.347,1043 10.315,1044 0.853,1045 12.732,1046 2.674,1047 8.098,1048 9.746,1049 4.945,1050 15.294,1051 7.768,1052 11.721,1053 0.468,1054 14.536,1055 2.144,1056 8.933,1057 10.781,1058 5.297,1059 17.405,1060 8.525,1061 13.144,1062 0.39,1063 16.358,1064 1.082,1065 10.185,1066 12.383,1067 6.399,1068 19.887,1069 9.744,1070 3.225,1071 -0.04,1072 18.194,1073 0.611,1074 11.188,1075 13.604,1076 6.933,1077 22.146,1078 10.675,1079 3.047,1080 11.081,1081 20.041,1082 -0.097,1083 12.366,1084 15.111,1085 7.905,1086 24.566,1087 11.812,1088 2.731,1089 10.363,1090 21.896,1091 4.271,1092 13.446,1093 16.428,1094 8.54,1095 26.892,1096 12.825,1097 2.504,1098 8.652,1099 23.759,1100 3.889,1101 14.599,1102 17.89,1103 9.437,1104 29.289,1105 13.932,1106 2.296,1107 7.704,1108 25.628,1109 3.726,1110 15.714,1111 19.258,1112 10.13,1113 31.646,1114 14.985,1115 1.926,1116 6.914,1117 27.502,1118 3.162,1119 16.86,1120 20.701,1121 10.982,1122 34.036,1123 16.081,1124 1.815,1125 5.275,1126 29.379,1127 2.889,1128 17.993,1129 22.098,1130 11.71,1131 36.409,1132 17.155,1133 11111,1134 20391,1135 21.789,1136 35.188,1137 49.856,1138 52.183,1139 52.194,1140 49.367,1141 49.236,1142 64.037,1143 9.811,1144 144.965,1145 46.031,1146 5.446,1147 5.737,1148 6.445,1149 5.324,1150 5.225,1151 7.271,1152 3.889,1153 18.489,1154 5.052,1155 16.156,1156 1.511,1157 1.581,1158 1.582,1159 1.496,1160 1.492,1161 1.941,1162 0.297,1163 4.393,1164 1.395,1165 4.06,1166 4.068,1167 4.292,1168 4.054,1169 7.435,1170 4.011,1171 3.911,1172 3.937,1173 4.004,1174 3.844,1175 7.427,1176 3.839,1177 3.766,1178 3.784,1179 3.819,1180 3.717,1181 4.939,1182 3.696,1183 3.502,1184 3.532,1185 3.452,1186 3.275,1187 4.875,1188 3.287,1189 3.427,1190 3.465,1191 3.35,1192 3.142,1193 4.532,1194 3.19,1195 3.283,1196 3.341,1197 3.292,1198 3.095,1199 4.457,1200 3.087,1201 3.047,1202 3.133,1203 3.249,1204 2.821,1205 4.346,1206 2.817,1207 2.902,1208 2.942,1209 2.865,1210 2.799,1211 4.319,1212 2.771,1213 0.138,1214 0.113,1215 0.205,1216 0.126,1217 0.098,1218 4.568,1219 0.129,1220 3.737,1221 0.066,1222 6.761,1223 0.336,1224 4.173,1225 0.092,1226 3.225,1227 4.271,1228 2.186,1229 11.081,1230 3.052,1231 1.903,1232 1.889,1233 1.981,1234 1.993,1235 1.164,1236 1.995,1237 1.891,1238 1.867,1239 1.972,1240 1.988,1241 1.095,1242 1.987,1243 1.663,1244 1.631,1245 1.84,1246 1.797,1247 1.077,1248 1.812,1249 1.487,1250 1.479,1251 1.65,1252 1.676,1253 0.739,1254 1.668,1255 1.33,1256 1.299,1257 1.606,1258 1.662,1259 0.587,1260 1.636,1261 1.191,1262 1.127,1263 1.418,1264 1.389,1265 0.574,1266 1.412,1267 1.142,1268 1.091,1269 1.272,1270 1.345,1271 0.513,1272 1.371,1273 0.914,1274 0.851,1275 1.14,1276 1.157,1277 0.197,1278 1.166,1279 4.205,1281 5.541,1282 2.398,1283 7.066,1284 4.844,1285 8.675,1286 7.034,1287 10.332,1289 3.029,1290 6.256,1295 1.162,1296 2.637,1297 10.516,1300 1.564,1305 33.658,1306 86.303,1307 185.902,1308 233.611,1309 257.611,1310 261.611,1311 261.611,1312 54.797,1313 8.017,1314 67.87,1315 96.11,1316 24,1317 12.74,1318 4.322,1319 3.524,1320 47.075,1321 124,1322 138,1323 0.189,1324 211.992,1325 371.5,1326 509.02,1327 34680,1328 2,1329 21.25,1330 0.708,1331 0.599,1332 22.104,1333 17.972,1334 14.474,1335 0.439,1336 0.317,1337 9.203,1338 13.163,1339 8.842,1340 7.311,1341 15.17,1342 10.446,1343 13.082,1344 0.278,1345 0.174,1346 14.069,1347 8.166,1348 11.494,1349 0.18,1350 0.099,1351 12.727,1352 6.343,1353 9.305,1354 0.111,1355 0.057,1356 10.633,1357 4.772,1358 7.447,1359 0.07,1360 0.03,1361 8.524,1362 3.214,1363 0.296,1364 98.308,1365 0.214,1366 28.224,1367 0.521,1368 160,1369 525.984,1370 216.792,1371 548.293,1372 733.72,1373 512,1374 191,1375 493.301,1376 243.718,1377 524.435,1378 772.94,1379 491,1380 8.824}
{0 CHEMBL1796275,1 1.748,2 10.75,3 4.309,4 18.565,5 111.215,6 9.176,7 0.548,8 3.926,9 4.011,10 3.707,11 3.585,12 5.111,13 3.547,14 4.43,15 4.55,16 4.137,17 3.998,18 5.634,19 3.938,20 4.684,21 4.81,22 4.332,23 4.163,24 5.898,25 4.1,26 4.762,27 4.897,28 4.3,29 4.193,30 5.98,31 4.091,32 4.737,33 4.9,34 4.102,35 4.107,36 5.949,37 3.975,38 4.61,39 4.802,40 4.031,41 3.939,42 5.725,43 3.819,44 4.478,45 4.641,46 3.945,47 3.807,48 5.756,49 3.729,50 4.429,51 4.623,52 3.647,53 3.739,54 5.526,55 3.632,56 0.073,57 0.594,58 6.4,59 3.953,60 10.955,61 4.349,62 0.273,63 0.976,64 14.117,65 7.107,66 29.083,67 7.854,68 0.36,69 1.222,70 22.872,71 9.703,72 35.061,73 10.201,74 0.425,75 1.337,76 27.989,77 11.202,78 55.87,79 11.081,80 0.595,81 1.287,82 35.734,83 12.196,84 68.634,85 12.839,86 0.364,87 1.141,88 26.815,89 9.908,90 50.319,91 10.994,92 0.507,93 1.018,94 22.363,95 7.959,96 61.23,97 8.227,98 0.284,99 0.956,100 20.144,101 7.951,102 42.681,103 9.104,104 27,105 45,106 0.298,107 0.642,108 0.781,109 0.88,110 0.895,111 0.895,112 3.375,113 0.955,114 -4.39,115 -4.32,116 -4.07,119 46.7,121 1,124 1,125 1,142 8,143 3,144 3,152 2,158 2,163 1,164 1,165 1,172 9,174 1,175 5,177 1,178 1,180 1,183 12,185 1,187 12,192 2,195 10,197 2,199 8,204 1,207 8,209 1,211 1,212 8,214 1,215 1,217 1,220 8,222 1,224 3,232 8,236 2,237 7,242 3,245 7,247 3,250 3,255 1,258 8,260 1,263 1,271 7,275 1092,276 18.706,277 18.706,278 18.706,279 18.706,280 18.706,281 16.46,282 18.439,283 10.749,284 19.16,285 15.246,286 15.246,287 15.246,288 15.246,289 15.246,290 11.68,291 18.272,292 5.051,293 16.046,294 3.744,295 1.726,296 0.906,297 0.328,298 0.239,299 0.239,300 4.068,301 1,304 1,305 1,306 650,307 3.606,310 47.48,311 148.073,312 65.931,315 96.675,316 109.736,318 1.696,319 32.59,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 60.333,331 301,332 4.571,333 3.737,334 6.762,335 4.177,336 3.228,337 4.278,338 1.2,339 11.086,340 3.065,341 4.346,342 3.513,343 6.613,344 4.003,345 3.051,346 3.9,347 0.98,348 10.367,349 2.897,350 4.163,351 3.265,352 6.073,353 3.756,354 2.781,355 3.772,356 0.86,357 8.772,358 2.709,359 3.893,360 3.117,361 5.907,362 3.511,363 2.54,364 3.269,365 0.293,366 8.066,367 2.43,368 3.618,369 2.737,370 5.623,371 3.237,372 2.265,373 2.924,375 7.17,376 2.191,377 3.056,378 2.197,379 4.901,380 2.733,381 1.815,382 2.227,384 5.057,385 1.648,386 3.02,387 2.177,388 4.718,389 2.669,390 1.747,391 2.147,393 4.923,394 1.602,395 2.859,396 1.878,397 4.069,398 2.351,399 1.414,400 2.009,402 3.225,403 1.291,404 2.796,405 1.741,406 3.896,407 2.302,408 1.295,409 1.829,411 3.08,412 1.253,413 2.647,414 1.576,415 3.771,416 2.155,417 1.176,418 1.655,420 2.901,421 1.133,422 2.394,423 1.183,424 3.604,425 1.948,426 0.981,427 1.327,428 2.506,429 0.939,430 2.13,431 1.029,432 3.399,433 1.696,434 0.807,435 1.047,436 2.104,437 0.698,438 1.922,439 0.965,440 3.198,441 1.461,442 0.459,443 0.619,445 1.07,446 0.444,447 1.185,448 0.336,449 2.747,450 0.877,451 -0.064,452 -0.075,454 -0.163,455 -0.059,456 1,457 0.206,458 2.591,459 0.602,460 -0.286,461 -0.343,463 -0.611,464 -0.19,465 13.848,466 0.495,467 0.806,468 0.029,469 37.75,470 1.348,471 20,472 0.714,473 17.75,474 0.634,475 23.86,476 0.852,477 28.752,478 0.639,479 28.617,480 1.022,481 7.394,482 0.264,483 6.058,484 0.216,485 0.165,487 0.39,493 0.7,494 1.011,495 0.608,496 0.788,497 0.623,498 0.768,499 0.763,500 0.851,501 0.679,502 0.738,503 0.52,504 0.744,505 1.017,506 1.078,507 0.894,508 1.027,509 0.852,510 0.927,511 1.23,512 1.136,513 1.244,514 1.207,515 1.244,516 1.124,517 0.891,518 1.073,519 1.475,520 1.381,521 0.872,522 1.201,523 0.963,524 1.03,525 0.75,526 0.916,527 1.076,528 0.959,529 1.138,530 1.023,531 1.042,532 1.018,533 1.49,534 0.957,535 0.918,536 1.063,537 0.946,538 1.049,539 1.011,540 1.083,541 5.5,542 0.115,543 4,544 2.632,545 1.951,546 1.15,547 0.606,548 0.569,549 0.316,550 0.191,551 9353,552 30581,553 2.072,554 37.8,556 13,559 2,561 2,564 1.711,565 1.909,566 3.389,567 0.247,569 1,573 78.653,574 1.748,575 3.766,576 4.586,577 5.164,578 5.253,579 5.253,580 2.897,581 4.307,582 4.778,583 3.543,584 1339.33,585 8.314,586 17110.6,588 1,590 1,591 247.133,592 1.497,593 4.723,594 0.177,595 0.006,596 0.089,597 0.052,598 0.042,599 0.029,600 0.018,601 0.017,602 0.012,603 0.008,604 0.451,605 0.33,606 1,607 0.787,608 139.163,609 -0.063,610 0.029,611 0.025,612 0.058,613 -0.087,614 0.052,615 0.039,616 0.178,617 0.097,618 0.184,619 0.087,620 0.139,621 -0.05,622 -0.088,623 0.031,624 -0.045,625 -0.014,626 -0.011,627 -0.19,628 -0.12,629 -0.166,630 -0.137,631 -0.164,632 -0.185,633 0.068,634 -0.088,635 -0.254,636 -0.231,637 0.049,638 -0.18,639 -0.053,640 -0.058,641 0.162,642 0.09,643 -0.06,644 0.055,645 0.005,646 0.012,647 -0.044,648 -0.012,649 -0.117,650 -0.013,651 -0.091,652 -0.093,653 -0.093,654 -0.102,655 -0.085,656 -0.083,657 2.167,658 6.042,659 0.714,660 24.929,661 1.015,662 1.107,663 3.155,664 9.956,665 0.733,666 3.466,667 3.829,668 4.143,669 4.407,670 4.644,671 4.812,672 4.956,673 5.088,674 5.257,675 5.338,676 6.298,677 0.698,678 412.92,679 3.466,680 5.03,681 5.905,682 6.801,683 7.694,684 8.595,685 9.494,686 10.399,687 11.302,688 12.208,689 4.4,696 2,704 8,708 1,709 8,711 17,717 1,719 1,729 1,730 1,731 45,733 19,734 2,735 31,737 48,738 21,739 16,740 5,741 7,742 2,746 4,747 7,748 1,755 1,758 1,761 18,762 3,766 2,771 2,775 2,778 1,781 17,782 5,783 2,784 7,785 2,790 2,794 0.5,795 3,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,845 1,848 28,849 1,854 2,856 1,859 1,865 1,869 1,870 6.7,873 2,875 1,877 14.667,878 8.51,879 6.056,880 2.572,881 3.239,882 1.412,883 1.015,884 5.234,885 11.103,886 3.75,887 4.373,888 4.983,889 5.548,890 6.052,891 6.383,892 6.768,893 7.111,894 7.514,895 7.848,896 1,897 51,898 10.362,900 4.523,901 7.897,902 19.472,904 16.226,905 2.397,906 67.111,909 1,910 176.567,911 155.795,912 36.022,913 39.149,914 61.29,916 31.278,917 124.517,918 277.005,919 36.022,920 8.396,921 43.148,922 75.81,923 59.699,924 32.057,925 2.717,926 207.844,927 39.149,928 176.567,929 160.538,930 61.29,931 70.426,933 153.024,934 84.832,937 43.148,938 117.39,939 39.149,940 31.278,941 176.567,942 97.311,943 194.943,946 176.567,947 71.588,948 87.331,950 133.336,951 176.567,952 97.311,953 194.943,955 0.594,956 0.359,957 0.188,958 0.101,959 23,960 11,961 0.063,962 3,963 2,964 1.2,965 3.835,966 254.374,967 0.2,968 20,969 134.606,970 1,974 19.124,975 7.664,976 3.609,978 97.311,979 14.313,983 1.412,984 5.692,986 32.897,987 468.821,988 41.5,993 24.499,997 -0.623,999 45.654,1000 49.81,1001 0.318,1002 0.686,1003 0.835,1004 0.94,1005 0.956,1006 0.956,1007 5.006,1008 1.414,1009 5.916,1010 4.923,1011 4.511,1012 5.059,1013 1.985,1014 6.774,1015 4.412,1016 6.233,1017 1.295,1018 7.513,1019 3.225,1020 4.205,1021 4.934,1022 0.325,1023 7.763,1024 4.049,1025 7.558,1026 1.176,1027 9.209,1028 3.08,1029 6.155,1030 7.267,1031 2.011,1032 10.887,1033 5.972,1034 8.919,1035 0.981,1036 10.963,1037 2.901,1038 6.661,1039 7.953,1040 0.653,1041 12.678,1042 6.414,1043 10.311,1044 0.807,1045 12.752,1046 2.506,1047 8.098,1048 9.766,1049 2.113,1050 15.322,1051 7.827,1052 11.725,1053 0.459,1054 14.565,1055 2.104,1056 8.956,1057 10.818,1058 1.001,1059 17.437,1060 8.618,1061 13.156,1062 -0.064,1063 16.394,1064 1.07,1065 10.204,1066 12.418,1067 2.265,1068 19.914,1069 9.834,1070 3.228,1071 -0.286,1072 18.235,1073 -0.163,1074 11.218,1075 13.648,1076 1.37,1077 22.173,1078 10.783,1079 3.051,1080 11.086,1081 20.085,1082 -0.611,1083 12.394,1084 15.152,1085 2.459,1086 24.589,1087 11.92,1088 2.781,1089 10.367,1090 21.943,1091 4.278,1092 13.478,1093 16.474,1094 1.754,1095 26.913,1096 12.943,1097 2.54,1098 8.772,1099 23.806,1100 3.9,1101 14.63,1102 17.934,1103 2.689,1104 29.307,1105 14.049,1106 2.265,1107 8.066,1108 25.674,1109 3.772,1110 15.747,1111 19.305,1112 2.143,1113 31.663,1114 15.108,1115 1.815,1116 7.17,1117 27.547,1118 3.269,1119 16.892,1120 20.747,1121 2.947,1122 34.051,1123 16.204,1124 1.747,1125 5.057,1126 29.423,1127 2.924,1128 18.026,1129 22.145,1130 2.535,1131 36.423,1132 17.281,1133 8973,1134 16341,1135 20.403,1136 32.972,1137 48.025,1138 49.547,1139 49.585,1140 47.342,1141 47.116,1142 62.006,1143 6.665,1144 140.655,1145 44.598,1146 5.446,1147 5.737,1148 6.447,1149 5.328,1150 5.228,1151 7.278,1152 2.293,1153 18.495,1154 5.065,1155 15.201,1156 1.549,1157 1.598,1158 1.6,1159 1.527,1160 1.52,1161 2,1162 0.215,1163 4.537,1164 1.439,1165 4.062,1166 4.069,1167 4.292,1168 4.057,1169 7.438,1170 4.016,1171 3.912,1172 3.938,1173 4.004,1174 3.845,1175 7.427,1176 3.841,1177 3.773,1178 3.786,1179 3.833,1180 3.739,1181 4.943,1182 3.715,1183 3.475,1184 3.521,1185 3.414,1186 3.278,1187 4.914,1188 3.289,1189 3.292,1190 3.349,1191 3.313,1192 3.113,1193 4.816,1194 3.103,1195 3.282,1196 3.337,1197 3.249,1198 3.037,1199 4.451,1200 3.066,1201 2.903,1202 2.945,1203 3.199,1204 2.8,1205 4.345,1206 2.772,1207 2.879,1208 2.922,1209 2.786,1210 2.726,1211 4.282,1212 2.723,1213 0.147,1214 0.121,1215 0.218,1216 0.135,1217 0.104,1218 4.571,1219 0.138,1220 3.737,1221 0.039,1222 6.762,1223 0.358,1224 4.177,1225 0.099,1226 3.228,1227 4.278,1228 1.2,1229 11.086,1230 3.065,1231 1.915,1232 1.905,1233 1.982,1234 1.994,1235 1.166,1236 1.995,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.098,1242 1.989,1243 1.664,1244 1.632,1245 1.84,1246 1.797,1247 1.079,1248 1.812,1249 1.489,1250 1.483,1251 1.65,1252 1.662,1253 0.74,1254 1.667,1255 1.28,1256 1.252,1257 1.435,1258 1.557,1259 0.574,1260 1.518,1261 1.187,1262 1.117,1263 1.372,1264 1.371,1265 0.522,1266 1.41,1267 0.973,1268 0.925,1269 1.148,1270 1.183,1271 0.194,1272 1.208,1273 0.869,1274 0.824,1275 1.12,1276 1.025,1277 0.185,1278 1.069,1279 4.143,1281 5.493,1282 2.398,1283 7.031,1284 4.844,1285 8.652,1286 7.034,1287 10.319,1289 1.713,1290 6.236,1293 5.372,1295 1.141,1297 5.799,1300 1.557,1305 31.416,1306 78.653,1307 169.482,1308 206.379,1309 232.379,1310 236.379,1311 236.379,1312 53.282,1313 7.863,1314 72.63,1315 100.87,1316 24,1317 12.726,1318 4.322,1319 3.524,1320 42.409,1321 108,1322 98,1323 0.2,1324 198.403,1325 345.41,1326 475.864,1327 28348,1328 2.2,1329 19.836,1330 0.708,1331 0.594,1332 20.69,1333 16.641,1334 13.452,1335 0.434,1336 0.318,1337 8.678,1338 12.319,1339 8.353,1340 6.873,1341 14.149,1342 9.872,1343 12.471,1344 0.277,1345 0.176,1346 13.458,1347 7.914,1348 10.936,1349 0.176,1350 0.1,1351 12.17,1352 6.196,1353 8.9,1354 0.11,1355 0.058,1356 10.227,1357 4.678,1358 7.133,1359 0.069,1360 0.031,1361 8.21,1362 3.144,1363 0.31,1364 90.946,1365 0.221,1366 26.421,1367 0.56,1368 152,1369 469.228,1370 204.556,1371 502.914,1372 674.16,1373 468,1374 183,1375 453.347,1376 232.394,1377 485.531,1378 717.86,1379 457,1380 8.873}
{0 CHEMBL1796276,1 1.719,2 11.379,3 4.515,4 20.382,5 116.112,6 8.895,7 0.531,8 3.981,9 4.07,10 3.739,11 3.626,12 5.129,13 3.585,14 4.499,15 4.637,16 4.157,17 4.034,18 5.635,19 3.972,20 4.735,21 4.869,22 4.363,23 4.201,24 5.926,25 4.136,26 4.817,27 4.952,28 4.332,29 4.236,30 6.033,31 4.137,32 4.787,33 4.946,34 4.142,35 4.171,36 5.971,37 4.037,38 4.715,39 4.921,40 4.079,41 4.019,42 5.783,43 3.892,44 4.579,45 4.751,46 3.991,47 3.878,48 5.79,49 3.8,50 4.497,51 4.681,52 3.768,53 3.852,54 5.557,55 3.74,56 0.054,57 0.637,58 7.431,59 4.355,60 7.189,61 4.976,62 0.294,63 1.069,64 16.803,65 7.658,66 22.631,67 8.695,68 0.326,69 1.292,70 25.423,71 10.405,72 31.803,73 11.428,74 0.454,75 1.405,76 30.614,77 11.822,78 61.637,79 11.814,80 0.562,81 1.356,82 36.451,83 12.693,84 62.031,85 13.672,86 0.34,87 1.265,88 30.337,89 11.117,90 47.859,91 12.907,92 0.566,93 1.109,94 25.694,95 8.811,96 60.203,97 9.319,98 0.247,99 1.024,100 20.011,101 8.361,102 35.481,103 9.815,104 28,105 46,106 0.289,107 0.62,108 0.766,109 0.878,110 0.892,111 0.892,112 3.409,113 0.969,114 -4.6,115 -4.52,116 -4.25,119 45.8,121 1,124 2,125 1,142 8,143 3,144 3,152 2,158 2,172 9,174 1,175 5,178 1,180 1,183 12,187 12,192 2,195 10,199 8,204 1,207 8,211 1,212 8,215 1,217 1,220 8,224 3,232 8,236 2,237 7,242 3,245 7,250 3,255 1,258 8,263 1,271 7,275 1249,276 19.577,277 19.577,278 19.577,279 19.577,280 19.577,281 17.383,282 19.972,283 11.251,284 20.108,285 15.667,286 15.667,287 15.667,288 15.667,289 15.667,290 12.094,291 19.113,292 5.206,293 16.515,294 3.866,295 1.9,296 1.031,297 0.365,298 0.281,299 0.281,300 4.102,301 1,304 1,305 1,306 709,307 3.742,310 50.488,311 154.639,312 69.52,315 102.079,316 115.159,318 1.867,319 31.32,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62.333,331 330,332 4.572,333 3.737,334 6.762,335 4.178,336 3.228,337 4.278,338 1.2,339 11.088,340 3.067,341 4.348,342 3.56,343 6.613,344 4.005,345 3.053,346 3.902,347 1.058,348 10.368,349 2.901,350 4.174,351 3.269,352 6.102,353 3.78,354 2.802,355 3.776,356 0.86,357 8.876,358 2.732,359 3.911,360 3.117,361 5.956,362 3.528,363 2.561,364 3.287,365 0.293,366 8.241,367 2.44,368 3.631,369 2.738,370 5.647,371 3.25,372 2.281,373 2.938,375 7.262,376 2.2,377 3.059,378 2.198,379 4.903,380 2.734,381 1.815,382 2.229,384 5.067,385 1.649,386 3.02,387 2.178,388 4.725,389 2.672,390 1.749,391 2.147,393 4.933,394 1.604,395 2.867,396 1.883,397 4.115,398 2.425,399 1.44,400 2.01,402 3.532,403 1.408,404 2.858,405 1.741,406 4.069,407 2.351,408 1.414,409 1.935,411 3.218,412 1.253,413 2.648,414 1.576,415 3.874,416 2.159,417 1.185,418 1.66,420 2.927,421 1.135,422 2.405,423 1.183,424 3.605,425 1.964,426 0.998,427 1.355,428 2.6,429 0.955,430 2.131,431 1.094,432 3.4,433 1.712,434 0.829,435 1.051,436 2.123,437 0.714,438 1.922,439 1.029,440 3.199,441 1.461,442 0.462,443 0.62,445 1.073,446 0.445,447 1.475,448 0.959,449 2.771,450 1.189,451 0.209,452 0.245,454 0.287,455 0.201,456 1.185,457 0.336,458 2.679,459 0.874,460 -0.067,461 -0.079,463 -0.171,464 -0.062,465 14.348,466 0.495,467 0.768,468 0.026,469 38.5,470 1.328,471 20,472 0.69,473 18.5,474 0.638,475 25.268,476 0.871,477 30.052,478 0.626,479 29.672,480 1.023,481 7.591,482 0.262,483 6.399,484 0.221,485 0.166,487 0.376,493 0.679,494 1.125,495 0.614,496 0.853,497 0.545,498 0.824,499 0.82,500 0.809,501 0.691,502 0.699,503 0.586,504 0.716,505 0.991,506 1.077,507 0.861,508 1.018,509 0.842,510 0.898,511 1.399,512 1.104,513 1.256,514 1.166,515 1.534,516 1.09,517 0.892,518 1.118,519 1.474,520 1.404,521 0.906,522 1.232,523 0.889,524 1.038,525 0.718,526 0.925,527 1.037,528 0.954,529 1.301,530 0.952,531 1.027,532 0.942,533 1.462,534 0.901,535 0.9,536 1.085,537 0.911,538 1.038,539 0.977,540 1.103,541 5.5,542 0.132,543 4.222,544 2.632,545 1.951,546 1.177,547 0.646,548 0.569,549 0.347,550 0.216,551 10318,552 32274,553 2.07,554 39.6,556 16,559 1,561 2,564 1.72,565 1.912,566 3.459,567 -0.336,573 82.505,574 1.719,575 3.685,576 4.554,577 5.22,578 5.304,579 5.304,580 2.945,581 4.72,582 4.827,583 3.608,584 1464.88,585 8.413,586 19282.2,588 1,591 268.078,592 1.487,593 4.777,594 0.172,595 0.006,596 0.092,597 0.05,598 0.041,599 0.029,600 0.018,601 0.016,602 0.012,603 0.009,604 0.443,605 0.33,606 1,607 0.94,608 146.209,609 -0.038,610 -0.073,611 0.035,612 0.013,613 -0.051,614 0.022,615 0.018,616 0.257,617 0.105,618 0.227,619 0.028,620 0.178,621 -0.015,622 -0.079,623 0.076,624 -0.027,625 0.029,626 0.031,627 -0.235,628 -0.081,629 -0.174,630 -0.096,631 -0.213,632 -0.162,633 0.064,634 -0.125,635 -0.276,636 -0.267,637 0.032,638 -0.231,639 -0.012,640 -0.072,641 0.181,642 0.072,643 -0.033,644 0.061,645 -0.041,646 0.075,647 -0.033,648 0.057,649 -0.099,650 0.039,651 -0.094,652 -0.108,653 -0.093,654 -0.105,655 -0.081,656 -0.132,657 1.829,658 6.089,659 0.69,660 28.081,661 1.011,662 1.109,663 3.37,664 11.358,665 0.724,666 3.497,667 3.85,668 4.174,669 4.431,670 4.663,671 4.836,672 4.99,673 5.136,674 5.298,675 5.389,676 6.547,677 0.686,678 426.95,679 3.497,680 5.056,681 5.932,682 6.825,683 7.718,684 8.618,685 9.517,686 10.421,687 11.324,688 12.23,689 4.2,696 2,704 8,708 1,709 8,711 17,718 1,719 1,729 1,730 1,731 48,733 19,734 2,735 32,737 51,738 22,739 16,740 5,741 7,742 2,746 4,747 7,748 1,755 1,758 1,761 18,762 4,766 2,771 2,775 2,778 1,781 19,782 5,783 1,784 7,785 2,790 2,794 0.5,795 3,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 2,845 1,848 29,854 2,855 1,856 1,859 1,865 1,869 1,870 6.3,873 2,875 1,877 15.167,878 9.426,879 6.389,880 2.801,881 3.233,882 1.407,883 1.003,884 5.724,885 11.175,886 3.773,887 4.385,888 5.003,889 5.56,890 6.063,891 6.398,892 6.79,893 7.145,894 7.539,895 7.88,896 0.875,897 53,898 10.745,900 4.639,901 7.831,902 20.312,904 16.776,905 2.331,906 67.611,909 1,910 211.88,911 164.191,912 21.135,913 39.149,914 61.29,916 31.278,917 132.913,918 312.318,919 21.135,920 16.793,921 28.262,922 75.81,923 59.699,924 32.057,925 2.717,926 243.158,927 39.149,928 211.88,929 154.048,930 61.29,931 70.426,933 188.338,934 84.832,937 28.262,938 125.786,939 39.149,940 31.278,941 211.88,942 82.425,943 203.34,946 211.88,947 71.588,948 95.727,949 18.011,950 100.438,951 211.88,952 82.425,953 203.34,955 0.589,956 0.364,957 0.19,958 0.1,959 23,960 11,961 0.059,962 3,963 2,964 1.2,965 3.921,966 265.564,967 0.2,968 20,969 140.881,970 1,974 20.081,975 8.267,976 3.824,978 82.425,979 14.61,983 1.433,984 5.999,986 18.011,987 497.644,988 42.5,993 25.025,997 -0.273,999 48.538,1000 53.226,1001 0.308,1002 0.66,1003 0.815,1004 0.935,1005 0.95,1006 0.95,1007 5.026,1008 1.44,1009 5.938,1010 4.933,1011 4.533,1012 5.072,1013 2.028,1014 6.795,1015 4.432,1016 6.247,1017 1.414,1018 7.533,1019 3.532,1020 4.205,1021 4.934,1022 0.325,1023 7.784,1024 4.049,1025 7.57,1026 1.185,1027 9.229,1028 3.218,1029 6.176,1030 7.277,1031 2.096,1032 10.909,1033 5.992,1034 8.931,1035 0.998,1036 10.983,1037 2.927,1038 6.673,1039 7.96,1040 0.653,1041 12.7,1042 6.429,1043 10.323,1044 0.829,1045 12.771,1046 2.6,1047 8.117,1048 9.773,1049 2.231,1050 15.343,1051 7.846,1052 11.737,1053 0.462,1054 14.584,1055 2.123,1056 8.972,1057 10.825,1058 1.001,1059 17.457,1060 8.637,1061 13.168,1062 0.209,1063 16.413,1064 1.073,1065 10.221,1066 12.424,1067 2.405,1068 19.933,1069 9.854,1070 3.228,1071 -0.067,1072 18.254,1073 0.287,1074 11.235,1075 13.655,1076 1.37,1077 22.189,1078 10.805,1079 3.053,1080 11.088,1081 20.104,1082 -0.171,1083 12.411,1084 15.158,1085 2.609,1086 24.604,1087 11.942,1088 2.802,1089 10.368,1090 21.962,1091 4.278,1092 13.494,1093 16.48,1094 1.754,1095 26.926,1096 12.967,1097 2.561,1098 8.876,1099 23.825,1100 3.902,1101 14.646,1102 17.94,1103 2.839,1104 29.319,1105 14.073,1106 2.281,1107 8.241,1108 25.693,1109 3.776,1110 15.762,1111 19.311,1112 2.143,1113 31.673,1114 15.133,1115 1.815,1116 7.262,1117 27.565,1118 3.287,1119 16.907,1120 20.752,1121 3.09,1122 34.06,1123 16.23,1124 1.749,1125 5.067,1126 29.441,1127 2.938,1128 18.04,1129 22.15,1130 2.535,1131 36.431,1132 17.307,1133 9932,1134 17690,1135 21.096,1136 34.733,1137 48.855,1138 51.111,1139 51.189,1140 48.302,1141 48.055,1142 62.868,1143 6.822,1144 143.189,1145 45.411,1146 5.448,1147 5.737,1148 6.447,1149 5.329,1150 5.228,1151 7.278,1152 2.293,1153 18.496,1154 5.067,1155 15.635,1156 1.527,1157 1.597,1158 1.6,1159 1.509,1160 1.502,1161 1.965,1162 0.213,1163 4.475,1164 1.419,1165 4.064,1166 4.07,1167 4.292,1168 4.057,1169 7.431,1170 4.017,1171 3.913,1172 3.938,1173 4.004,1174 3.845,1175 7.426,1176 3.841,1177 3.779,1178 3.794,1179 3.839,1180 3.742,1181 4.937,1182 3.718,1183 3.496,1184 3.547,1185 3.435,1186 3.285,1187 4.857,1188 3.3,1189 3.401,1190 3.477,1191 3.324,1192 3.176,1193 4.46,1194 3.188,1195 3.283,1196 3.341,1197 3.263,1198 3.097,1199 4.346,1200 3.086,1201 2.977,1202 3.023,1203 3.248,1204 2.806,1205 4.308,1206 2.794,1207 2.892,1208 2.929,1209 2.819,1210 2.797,1211 4.158,1212 2.77,1213 0.143,1214 0.117,1215 0.211,1216 0.131,1217 0.101,1218 4.572,1219 0.134,1220 3.737,1221 0.038,1222 6.762,1223 0.346,1224 4.178,1225 0.096,1226 3.228,1227 4.278,1228 1.2,1229 11.088,1230 3.067,1231 1.917,1232 1.906,1233 1.985,1234 1.998,1235 1.168,1236 1.997,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.1,1242 1.992,1243 1.664,1244 1.633,1245 1.841,1246 1.797,1247 1.08,1248 1.813,1249 1.493,1250 1.487,1251 1.677,1252 1.689,1253 0.741,1254 1.689,1255 1.393,1256 1.328,1257 1.65,1258 1.662,1259 0.69,1260 1.665,1261 1.19,1262 1.123,1263 1.416,1264 1.378,1265 0.574,1266 1.411,1267 1.128,1268 1.073,1269 1.22,1270 1.28,1271 0.506,1272 1.304,1273 0.872,1274 0.824,1275 1.134,1276 1.089,1277 0.192,1278 1.101,1279 4.174,1281 5.517,1282 2.398,1283 7.054,1284 4.844,1285 8.674,1286 7.034,1287 10.34,1289 3.32,1290 6.253,1295 1.181,1296 2.622,1297 5.871,1300 1.569,1305 32.943,1306 82.505,1307 176.859,1308 218.568,1309 250.568,1310 254.568,1311 254.568,1312 55.124,1313 7.943,1314 58.64,1315 86.88,1316 24,1317 12.748,1318 4.322,1319 3.524,1320 44.704,1321 115,1322 119,1323 0.196,1324 207.996,1325 362.71,1326 499.269,1327 31302,1328 2.1,1329 20.543,1330 0.708,1331 0.606,1332 21.397,1333 17.564,1334 13.99,1335 0.437,1336 0.323,1337 9.124,1338 12.817,1339 8.749,1340 7.235,1341 14.687,1342 10.333,1343 12.613,1344 0.274,1345 0.177,1346 13.599,1347 8.129,1348 11.442,1349 0.179,1350 0.1,1351 12.675,1352 6.401,1353 9.145,1354 0.11,1355 0.058,1356 10.472,1357 4.811,1358 7.268,1359 0.069,1360 0.031,1361 8.345,1362 3.214,1363 0.304,1364 94.443,1365 0.218,1366 27.282,1367 0.545,1368 156,1369 478.248,1370 208.916,1371 509.832,1372 685.88,1373 476,1374 188,1375 461.91,1376 238.226,1377 494.14,1378 731.58,1379 465,1380 8.602}
{0 CHEMBL1796756,1 1.698,2 12.909,3 4.408,4 19.432,5 130.083,6 8.625,7 0.459,8 4.143,9 4.231,10 3.876,11 3.756,12 5.234,13 3.722,14 4.705,15 4.847,16 4.29,17 4.174,18 5.775,19 4.121,20 4.954,21 5.109,22 4.475,23 4.353,24 6.064,25 4.286,26 5.013,27 5.168,28 4.445,29 4.382,30 6.176,31 4.282,32 4.977,33 5.142,34 4.291,35 4.321,36 6.169,37 4.2,38 4.894,39 5.091,40 4.236,41 4.209,42 5.929,43 4.09,44 4.844,45 5.03,46 4.168,47 4.085,48 5.968,49 4.009,50 4.724,51 4.897,52 4.024,53 4.064,54 5.753,55 3.968,56 0.057,57 0.755,58 9.383,59 5.35,60 7.582,61 6.145,62 0.413,63 1.306,64 21.826,65 9.348,66 25.656,67 10.499,68 0.516,69 1.621,70 33.028,71 12.735,72 38.793,73 14.423,74 0.536,75 1.692,76 38.154,77 14.518,78 69.05,79 15.547,80 0.788,81 1.61,82 43.052,83 14.948,84 88.76,85 16.467,86 0.346,87 1.505,88 34.201,89 13.085,90 46.693,91 15.609,92 0.698,93 1.403,94 33.595,95 11.45,96 67.541,97 12.777,98 0.473,99 1.252,100 24.705,101 10.221,102 42.683,103 11.851,104 17,105 53,106 0.277,107 0.593,108 0.759,109 0.851,110 0.862,111 0.862,112 3.532,113 0.974,114 -4.45,115 -4.38,116 -4.13,119 44.6,121 1,124 1,125 5,142 8,143 3,144 3,152 2,158 2,172 9,174 2,175 6,183 12,186 1,187 14,195 10,199 9,207 8,211 3,212 10,220 8,224 5,232 8,236 2,237 11,245 7,249 1,250 5,258 8,263 1,271 7,275 1865,276 22.482,277 22.482,278 22.482,279 22.482,280 22.482,281 20.313,282 24.527,283 13.108,284 23.206,285 18.223,286 18.223,287 18.223,288 18.223,289 18.223,290 14.701,291 25.66,292 6.195,293 19.404,294 4.11,295 2.167,296 1.148,297 0.585,298 0.513,299 0.513,300 4.239,301 1,305 1,306 937,307 3.674,310 60.898,311 278.541,312 82.13,315 121.017,316 133.25,318 2.22,319 37.301,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71.333,331 426,332 4.574,333 3.738,334 6.764,335 4.182,336 3.231,337 4.279,338 1.2,339 11.093,340 3.077,341 4.356,342 3.698,343 6.616,344 4.021,345 3.064,346 3.906,347 1.2,348 10.375,349 2.926,350 4.224,351 3.276,352 6.39,353 3.897,354 2.933,355 3.789,356 0.86,357 9.687,358 2.81,359 3.978,360 3.118,361 6.023,362 3.587,363 2.641,364 3.349,365 0.86,366 8.54,367 2.479,368 3.682,369 2.75,370 5.704,371 3.319,372 2.358,373 2.982,374 0.293,375 7.472,376 2.25,377 3.283,378 2.565,379 5.201,380 3.037,381 2.083,382 2.414,383 0.293,384 6.181,385 1.979,386 3.05,387 2.198,388 4.897,389 2.733,390 1.815,391 2.218,393 5.041,394 1.645,395 3.02,396 2.178,397 4.707,398 2.667,399 1.745,400 2.147,402 4.905,403 1.599,404 2.859,405 1.976,406 4.069,407 2.394,408 1.487,409 2.009,411 3.322,412 1.338,413 2.717,414 1.837,415 3.917,416 2.351,417 1.414,418 1.718,420 3.218,421 1.253,422 2.647,423 1.741,424 3.859,425 2.161,426 1.191,427 1.651,428 2.935,429 1.137,430 2.415,431 1.576,432 3.605,433 1.992,434 1.029,435 1.38,436 2.678,437 0.981,438 2.138,439 1.256,440 3.404,441 1.952,442 1,443 1.066,445 2.165,446 0.946,447 2.094,448 1.183,449 3.345,450 1.798,451 0.881,452 1,454 2.136,455 0.789,456 2,457 1.029,458 3.247,459 1.633,460 0.677,461 0.902,463 1.745,464 0.63,465 16.181,466 0.49,467 0.819,468 0.025,469 41.75,470 1.265,471 20,472 0.606,473 21.75,474 0.659,475 31.246,476 0.947,477 34.819,478 0.622,479 33.199,480 1.006,481 8.154,482 0.247,483 7.871,484 0.239,485 0.116,487 0.358,493 0.699,494 1.24,495 0.616,496 0.938,497 0.533,498 0.878,499 1.024,500 0.883,501 0.746,502 0.727,503 0.641,504 0.76,505 1.01,506 1.011,507 0.874,508 0.957,509 0.82,510 0.896,511 1.231,512 1.091,513 1.169,514 1.131,515 1.601,516 1.063,517 0.926,518 1.036,519 1.385,520 1.275,521 1.215,522 1.14,523 0.775,524 1.115,525 0.728,526 1.004,527 0.979,528 1.025,529 1.265,530 0.932,531 0.951,532 0.908,533 1.314,534 0.876,535 1.033,536 0.981,537 0.877,538 0.917,539 0.962,540 1.021,541 5.5,542 0.168,543 4.444,544 3.069,545 2.062,546 1.219,547 0.725,548 0.63,549 0.368,550 0.24,551 15989,552 46673,553 2.131,554 41.1,556 21,561 2,564 1.752,565 2,566 3.638,567 -0.751,573 95.074,574 1.698,575 3.64,576 4.66,577 5.222,578 5.294,579 5.294,580 3.06,581 4.923,582 5.012,583 3.803,584 2007.98,585 8.778,586 29476.1,591 325.212,592 1.393,593 4.979,594 0.149,595 0.006,596 0.084,597 0.051,598 0.037,599 0.025,600 0.016,601 0.015,602 0.009,603 0.007,604 0.399,605 0.33,606 0.75,607 0.522,608 174.695,609 -0.022,610 -0.166,611 0.049,612 -0.035,613 -0.025,614 -0.002,615 -0.07,616 0.203,617 0.06,618 0.202,619 -0.011,620 0.135,621 -0.033,622 0.022,623 0.056,624 0.026,625 0.023,626 0.044,627 -0.171,628 -0.071,629 -0.106,630 -0.067,631 -0.174,632 -0.103,633 0.077,634 -0.039,635 -0.217,636 -0.155,637 0.018,638 -0.14,639 0.01,640 -0.139,641 0.137,642 -0.021,643 -0.027,644 -0.021,645 -0.051,646 0.07,647 0.016,648 0.075,649 -0.065,650 0.079,651 -0.067,652 0.003,653 -0.065,654 0.014,655 -0.074,656 -0.069,657 1.775,658 6.218,659 0.788,660 38.048,661 1.011,662 1.112,663 3.221,664 10.377,665 0.709,666 3.638,667 3.989,668 4.317,669 4.585,670 4.82,671 4.963,672 5.136,673 5.308,674 5.497,675 5.628,676 7.426,677 0.673,678 483.02,679 3.638,680 5.198,681 6.075,682 6.967,683 7.858,684 8.756,685 9.653,686 10.555,687 11.456,688 12.36,689 3.6,696 2,704 8,708 1,709 8,711 17,719 2,729 1,730 1,731 56,733 19,734 2,735 37,737 60,738 25,739 16,740 5,741 7,742 2,746 5,747 8,748 1,755 1,758 1,761 18,762 7,766 2,771 2,775 2,781 23,782 6,784 8,785 2,790 2,794 0.6,795 4,811 1,812 3,813 1,816 1,817 1,839 1,840 3,842 1,844 1,845 1,848 33,854 6,856 2,859 2,865 1,869 1,870 7.1,873 2,874 1,875 1,877 16.5,878 10.543,879 7.167,880 3.405,881 3.196,882 1.377,883 1.006,884 6.523,885 11.665,886 3.882,887 4.469,888 5.074,889 5.623,890 6.118,891 6.45,892 6.853,893 7.232,894 7.64,895 7.994,896 0.889,897 60,898 12.29,900 5.372,901 7.761,902 23.48,904 19.747,905 2.261,906 74.611,910 270.735,911 169.191,912 6.249,913 39.149,914 72.29,916 31.278,917 137.913,918 382.174,919 6.249,920 8.396,921 26.772,922 75.81,923 70.699,924 32.057,925 2.717,926 302.013,927 39.149,928 270.735,929 144.162,930 72.29,931 70.426,933 247.193,934 84.832,935 11,937 26.772,938 117.39,939 39.149,940 31.278,941 270.735,942 78.538,943 208.339,946 270.735,947 84.984,948 90.455,950 111.438,951 270.735,952 78.538,953 208.339,955 0.588,956 0.36,957 0.194,958 0.102,959 27,960 12,961 0.05,962 3,963 2,964 1.154,965 4.341,966 320.883,967 0.154,968 26,969 162.465,970 1,974 22.541,975 9.549,976 4.451,978 78.538,979 14.829,983 1.444,984 6.101,987 557.613,988 47.5,993 26.122,997 -0.125,999 56.633,1000 62.265,1001 0.292,1002 0.627,1003 0.802,1004 0.899,1005 0.912,1006 0.912,1007 5.143,1008 1.745,1009 6.071,1010 5.041,1011 4.673,1012 5.156,1013 2.274,1014 6.921,1015 4.558,1016 6.345,1017 1.487,1018 7.658,1019 4.905,1020 4.29,1021 4.977,1022 0.57,1023 7.888,1024 4.122,1025 7.658,1026 1.414,1027 9.348,1028 3.322,1029 6.304,1030 7.324,1031 2.328,1032 11.028,1033 6.098,1034 9.009,1035 1.191,1036 11.098,1037 3.218,1038 6.77,1039 7.994,1040 1.045,1041 12.813,1042 6.512,1043 10.396,1044 1.029,1045 12.885,1046 2.935,1047 8.239,1048 9.805,1049 2.485,1050 15.462,1051 7.946,1052 11.806,1053 1,1054 14.698,1055 2.678,1056 9.077,1057 10.853,1058 1.491,1059 17.571,1060 8.731,1061 13.234,1062 0.881,1063 16.528,1064 2.165,1065 10.339,1066 12.448,1067 2.699,1068 20.048,1069 9.955,1070 3.231,1071 0.677,1072 18.37,1073 2.136,1074 11.344,1075 13.678,1076 1.928,1077 22.299,1078 10.907,1079 3.064,1080 11.093,1081 20.222,1082 1.745,1083 12.526,1084 15.179,1085 2.951,1086 24.711,1087 12.049,1088 2.933,1089 10.375,1090 22.08,1091 4.279,1092 13.605,1093 16.5,1094 2.356,1095 27.027,1096 13.077,1097 2.641,1098 9.687,1099 23.945,1100 3.906,1101 14.758,1102 17.959,1103 3.23,1104 29.416,1105 14.187,1106 2.358,1107 8.54,1108 25.813,1109 3.789,1110 15.872,1111 19.329,1112 2.776,1113 31.764,1114 15.25,1115 2.083,1116 7.472,1117 27.686,1118 3.349,1119 17.017,1120 20.769,1121 3.529,1122 34.146,1123 16.35,1124 1.815,1125 6.181,1126 29.562,1127 2.982,1128 18.147,1129 22.167,1130 3.188,1131 36.51,1132 17.431,1133 14886,1134 25583,1135 24.967,1136 39.71,1137 56.834,1138 59.027,1139 58.216,1140 56.27,1141 56.016,1142 70.853,1143 9.411,1144 165.12,1145 52.564,1146 5.574,1147 5.738,1148 6.566,1149 5.333,1150 5.231,1151 7.279,1152 2.293,1153 18.502,1154 5.077,1155 15.038,1156 1.536,1157 1.595,1158 1.573,1159 1.521,1160 1.514,1161 1.915,1162 0.254,1163 4.463,1164 1.421,1165 4.069,1166 4.077,1167 4.293,1168 4.059,1169 7.43,1170 4.019,1171 3.914,1172 3.94,1173 4.004,1174 3.845,1175 7.426,1176 3.841,1177 3.828,1178 3.861,1179 3.862,1180 3.754,1181 4.938,1182 3.733,1183 3.695,1184 3.724,1185 3.627,1186 3.521,1187 4.857,1188 3.534,1189 3.461,1190 3.511,1191 3.385,1192 3.272,1193 4.613,1194 3.279,1195 3.283,1196 3.341,1197 3.305,1198 3.105,1199 4.457,1200 3.09,1201 3.165,1202 3.206,1203 3.249,1204 2.953,1205 4.345,1206 2.981,1207 3.111,1208 3.176,1209 3.101,1210 2.941,1211 4.294,1212 2.91,1213 0.124,1214 0.101,1215 0.183,1216 0.113,1217 0.087,1218 4.574,1219 0.116,1220 3.738,1221 0.032,1222 6.764,1223 0.3,1224 4.182,1225 0.083,1226 3.231,1227 4.279,1228 1.2,1229 11.093,1230 3.077,1231 1.923,1232 1.911,1233 1.998,1234 2.029,1235 1.213,1236 2.02,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.155,1242 1.994,1243 1.692,1244 1.647,1245 1.889,1246 1.899,1247 1.092,1248 1.899,1249 1.655,1250 1.617,1251 1.839,1252 1.797,1253 1.075,1254 1.812,1255 1.484,1256 1.475,1257 1.65,1258 1.662,1259 0.825,1260 1.667,1261 1.212,1262 1.192,1263 1.513,1264 1.407,1265 0.74,1266 1.429,1267 1.181,1268 1.115,1269 1.417,1270 1.376,1271 0.574,1272 1.412,1273 1.153,1274 1.064,1275 1.249,1276 1.355,1277 0.526,1278 1.363,1279 4.317,1281 5.659,1282 2.398,1283 7.197,1284 4.844,1285 8.817,1286 7.034,1287 10.482,1289 1.731,1290 6.292,1295 3.485,1297 11.348,1300 3.384,1305 37.711,1306 95.074,1307 203.854,1308 260.947,1309 292.457,1310 296.457,1311 296.457,1312 62.391,1313 8.469,1314 59.08,1315 87.32,1316 30,1317 12.88,1318 4.322,1319 3.524,1320 47.906,1321 147,1322 149,1323 0.16,1324 233.375,1325 411.04,1326 561.196,1327 62228,1328 1.8,1329 22.949,1330 0.695,1331 0.598,1332 23.803,1333 19.748,1334 16.025,1335 0.433,1336 0.325,1337 10.765,1338 14.693,1339 10.424,1340 8.513,1341 16.722,1342 12.017,1343 14.484,1344 0.273,1345 0.178,1346 15.471,1347 9.454,1348 13.131,1349 0.177,1350 0.101,1351 14.364,1352 7.457,1353 10.817,1354 0.112,1355 0.058,1356 12.144,1357 5.607,1358 8.688,1359 0.071,1360 0.031,1361 9.766,1362 3.779,1363 0.252,1364 107.667,1365 0.2,1366 30.644,1367 0.436,1368 180,1369 551.296,1370 236.822,1371 571.198,1372 769.62,1373 536,1374 217,1375 518.955,1376 271.825,1377 548.433,1378 816.3,1379 517,1380 7.509}
{0 CHEMBL1796757,1 1.713,2 11.5,3 5.269,4 27.761,5 121.458,6 9.082,7 0.647,8 4.001,9 4.091,10 3.784,11 3.667,12 5.142,13 3.628,14 4.509,15 4.636,16 4.198,17 4.087,18 5.612,19 4.028,20 4.735,21 4.873,22 4.353,23 4.236,24 5.845,25 4.159,26 4.807,27 4.948,28 4.349,29 4.276,30 5.944,31 4.167,32 4.816,33 4.986,34 4.166,35 4.2,36 5.928,37 4.071,38 4.707,39 4.905,40 4.113,41 4.035,42 5.78,43 3.918,44 4.537,45 4.703,46 3.992,47 3.956,48 5.672,49 3.853,50 4.557,51 4.751,52 3.886,53 3.93,54 5.534,55 3.813,56 0.064,57 0.659,58 6.926,59 4.103,60 7.065,61 4.692,62 0.22,63 1.092,64 15.06,65 7.271,66 16.598,67 8.068,68 0.287,69 1.312,70 24.072,71 10.123,72 23.871,73 11.178,74 0.309,75 1.414,76 28.928,77 11.743,78 37.949,79 12.302,80 0.417,81 1.439,82 36.962,83 12.765,84 50.299,85 13.584,86 0.427,87 1.282,88 29.197,89 10.628,90 45.427,91 11.99,92 0.403,93 1.084,94 22.086,95 8.681,96 43.384,97 9.584,98 0.236,99 1.168,100 22.745,101 8.79,102 26.19,103 10.309,104 10,105 49,106 0.285,107 0.64,108 0.803,109 0.887,110 0.9,111 0.9,112 3.441,113 0.947,114 -5.14,115 -5.04,116 -4.72,119 47.9,121 1,124 1,125 1,142 8,143 4,144 3,145 1,151 1,152 2,158 1,168 1,172 10,174 1,175 5,180 1,183 14,187 11,192 1,195 11,199 10,204 2,207 9,212 8,217 1,220 8,223 1,224 4,227 1,229 1,232 11,236 2,237 4,245 8,250 5,255 3,258 8,263 4,268 1,271 7,275 1390,276 20.568,277 20.568,278 20.568,279 20.568,280 20.568,281 17.908,282 15.614,283 11.966,284 21.101,285 16.766,286 16.766,287 16.766,288 16.766,289 16.766,290 12.65,291 15.921,292 5.657,293 17.689,294 3.872,295 1.742,296 0.766,297 0.266,298 0.182,299 0.182,300 4.15,301 1,304 1,305 1,306 768,307 3.24,310 123.426,311 157.41,312 71.258,315 104.76,316 116.696,318 1.933,319 24.728,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 63.833,331 345,332 4.574,333 3.737,334 6.763,335 4.179,336 3.229,337 4.284,338 1.2,339 11.09,340 3.07,341 4.355,342 3.295,343 6.614,344 4.009,345 3.056,346 3.937,347 0.86,348 10.37,349 2.907,350 4.218,351 3.123,352 6.176,353 3.823,354 2.85,355 3.831,356 0.293,357 9.185,358 2.764,359 3.972,360 2.873,361 5.996,362 3.553,363 2.598,364 3.489,366 8.428,367 2.456,368 3.677,369 2.639,370 5.668,371 3.275,372 2.309,373 3.033,375 7.352,376 2.219,377 3.222,378 2.193,379 4.906,380 2.759,381 1.815,382 2.522,384 5.116,385 1.727,386 3.047,387 2.169,388 4.742,389 2.723,390 1.79,391 2.218,393 4.96,394 1.637,395 3.02,396 1.79,397 4.434,398 2.651,399 1.718,400 2.147,402 4.431,403 1.589,404 2.859,405 1.741,406 4.069,407 2.351,408 1.414,409 2.009,411 3.22,412 1.253,413 2.651,414 1.576,415 3.879,416 2.163,417 1.193,418 1.67,420 2.938,421 1.139,422 2.496,423 1.183,424 3.605,425 2.021,426 1.047,427 1.484,428 2.687,429 1.012,430 2.283,431 1.062,432 3.403,433 1.859,434 0.913,435 1.195,436 2.184,437 0.855,438 2.128,439 1.027,440 3.297,441 1.667,442 0.753,443 1.036,445 1.949,446 0.673,447 2.118,448 0.774,449 3.197,450 1.547,451 0.618,452 0.927,454 1.372,455 0.572,456 1.922,457 0.618,458 3,459 1.46,460 0.459,461 0.618,463 1.07,464 0.444,465 14.914,466 0.497,467 0.73,468 0.024,469 41.75,470 1.392,471 22.5,472 0.75,473 19.25,474 0.642,475 25.371,476 0.846,477 30.086,478 0.627,479 30.513,480 1.017,481 8.123,482 0.271,483 6.491,484 0.216,485 0.104,487 0.362,493 0.678,494 0.994,495 0.597,496 0.795,497 0.558,498 0.772,499 0.934,500 0.877,501 0.713,502 0.731,503 0.661,504 0.748,505 0.989,506 1.013,507 0.901,508 1.031,509 0.845,510 0.944,511 1.194,512 1.129,513 1.209,514 1.224,515 1.401,516 1.118,517 1.097,518 1.109,519 1.47,520 1.391,521 1.095,522 1.199,523 1.064,524 0.915,525 0.755,526 0.868,527 1.402,528 0.923,529 1.037,530 0.947,531 1.027,532 0.957,533 1.412,534 0.956,535 0.807,536 1.159,537 0.975,538 1.143,539 0.852,540 1.1,541 5,542 0.128,543 4,544 2.41,545 1.881,546 1.094,547 0.604,548 0.506,549 0.298,550 0.191,551 12321,552 36235,553 2.165,554 37.5,556 13,557 1,558 1,559 1,561 2,564 1.728,565 2.045,566 3.486,567 -0.349,573 82.223,574 1.713,575 3.843,576 4.819,577 5.319,578 5.403,579 5.403,580 2.966,581 4.574,582 4.876,583 3.654,584 1589.32,585 8.507,586 21481,591 268.078,592 1.347,593 4.848,594 0.147,595 0.006,596 0.082,597 0.045,598 0.038,599 0.025,600 0.016,601 0.014,602 0.009,603 0.007,604 0.389,605 0.33,606 0.88,607 0.496,608 153.146,609 0.013,610 0.033,611 0.039,612 0.033,613 -0.034,614 0.032,615 -0.056,616 0.158,617 0.058,618 0.17,619 -0.017,620 0.114,621 -0.012,622 -0.045,623 0.033,624 -0.046,625 0.019,626 -0.016,627 -0.135,628 -0.153,629 -0.126,630 -0.148,631 -0.132,632 -0.165,633 -0.074,634 -0.128,635 -0.265,636 -0.258,637 0.007,638 -0.189,639 0.032,640 0.053,641 0.162,642 0.142,643 -0.049,644 0.084,645 0.045,646 0.038,647 -0.047,648 0.059,649 -0.022,650 0.008,651 -0.046,652 -0.153,653 -0.061,654 -0.142,655 -0.068,656 -0.105,657 1.737,658 6.159,659 0.833,660 30.4,661 1.009,662 1.106,663 3.915,664 15.326,665 0.74,666 3.555,667 3.912,668 4.248,669 4.533,670 4.736,671 4.92,672 5.088,673 5.268,674 5.455,675 5.568,676 6.747,677 0.703,678 435.96,679 3.555,680 5.118,681 5.999,682 6.895,683 7.789,684 8.691,685 9.591,686 10.495,687 11.399,688 12.306,689 6.3,696 1,697 1,699 1,704 10,705 1,706 1,708 1,709 9,711 22,719 1,729 1,730 1,731 48,733 23,734 2,735 34,737 52,738 23,739 19,740 5,741 7,742 1,746 5,747 8,748 1,755 1,758 1,761 20,762 3,766 1,771 1,775 1,781 18,782 4,783 1,784 7,785 2,790 3,794 0.6,795 2,803 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,844 1,845 1,848 30,854 2,856 1,859 1,865 1,869 1,870 4.2,873 1,875 1,877 14.667,878 9.126,879 6.472,880 2.813,881 3.798,882 1.46,883 1.042,884 5.191,885 12.063,886 3.85,887 4.483,888 5.119,889 5.712,890 6.165,891 6.541,892 6.968,893 7.401,894 7.836,895 8.213,896 0.875,897 53,898 11.081,900 4.821,901 7.687,902 21.218,904 17.862,905 2.187,906 65.611,910 200.109,911 172.37,912 36.45,913 39.149,914 36.145,916 31.278,917 141.093,918 275.402,919 36.45,920 8.396,921 10.251,922 84.857,923 58.284,924 60.953,925 14.488,926 207.844,927 39.149,928 200.109,929 177.543,930 36.145,931 70.426,933 176.567,934 59.687,937 35.962,938 124.918,939 55.812,940 31.278,941 200.109,942 72.595,943 211.519,946 200.109,947 70.069,948 105.426,949 16.663,950 91.956,951 200.109,952 72.595,953 211.519,955 0.589,956 0.361,957 0.197,958 0.099,959 26,960 11,961 0.058,962 3,963 2,964 1.16,965 4.124,966 285.001,967 0.16,968 25,969 147.207,970 1,974 19.493,975 7.988,976 3.613,978 55.932,979 19.14,980 4.02,981 2.84,983 1.499,984 8.036,986 16.663,987 484.223,988 46,993 13.159,997 -0.071,999 48.429,1000 53.099,1001 0.307,1002 0.688,1003 0.863,1004 0.952,1005 0.967,1006 0.967,1007 5.097,1008 1.718,1009 5.994,1010 4.96,1011 4.595,1012 5.17,1013 1.679,1014 6.847,1015 4.492,1016 6.316,1017 1.414,1018 7.58,1019 4.431,1020 4.205,1021 4.945,1022 0.325,1023 7.813,1024 4.04,1025 7.633,1026 1.193,1027 9.269,1028 3.22,1029 6.229,1030 7.382,1031 1.728,1032 10.953,1033 6.04,1034 8.99,1035 1.047,1036 11.017,1037 2.938,1038 6.698,1039 8.022,1040 0.653,1041 12.743,1042 6.445,1043 10.379,1044 0.913,1045 12.804,1046 2.687,1047 8.163,1048 9.874,1049 1.872,1050 15.386,1051 7.886,1052 11.792,1053 0.753,1054 14.615,1055 2.184,1056 9.006,1057 10.906,1058 1.001,1059 17.5,1060 8.664,1061 13.222,1062 0.618,1063 16.443,1064 1.949,1065 10.263,1066 12.519,1067 2.071,1068 19.974,1069 9.891,1070 3.229,1071 0.459,1072 18.284,1073 1.372,1074 11.271,1075 13.742,1076 1.37,1077 22.229,1078 10.837,1079 3.056,1080 11.09,1081 20.135,1082 1.07,1083 12.45,1084 15.249,1085 2.309,1086 24.64,1087 11.979,1088 2.85,1089 10.37,1090 21.992,1091 4.284,1092 13.531,1093 16.568,1094 1.754,1095 26.96,1096 13.001,1097 2.598,1098 9.185,1099 23.856,1100 3.937,1101 14.683,1102 18.028,1103 2.576,1104 29.35,1105 14.111,1106 2.309,1107 8.428,1108 25.724,1109 3.831,1110 15.798,1111 19.396,1112 2.143,1113 31.702,1114 15.17,1115 1.815,1116 7.352,1117 27.595,1118 3.489,1119 16.943,1120 20.837,1121 2.865,1122 34.086,1123 16.268,1124 1.79,1125 5.116,1126 29.471,1127 3.033,1128 18.074,1129 22.233,1130 2.535,1131 36.455,1132 17.345,1133 11369,1134 19640,1135 23.175,1136 35.523,1137 52.491,1138 53.155,1139 53.026,1140 51.755,1141 51.524,1142 68.799,1143 4.706,1144 152.704,1145 48.636,1146 5.449,1147 5.737,1148 6.448,1149 5.331,1150 5.229,1151 7.284,1152 2.293,1153 18.499,1154 5.07,1155 12.083,1156 1.544,1157 1.563,1158 1.56,1159 1.522,1160 1.515,1161 2.024,1162 0.138,1163 4.491,1164 1.43,1165 4.08,1166 4.096,1167 4.293,1168 4.065,1169 7.428,1170 4.029,1171 3.929,1172 3.962,1173 4.004,1174 3.851,1175 5.048,1176 3.849,1177 3.869,1178 3.901,1179 3.923,1180 3.81,1181 4.934,1182 3.789,1183 3.649,1184 3.683,1185 3.642,1186 3.506,1187 4.832,1188 3.52,1189 3.446,1190 3.502,1191 3.367,1192 3.262,1193 4.456,1194 3.265,1195 3.283,1196 3.341,1197 3.295,1198 3.102,1199 4.345,1200 3.088,1201 2.913,1202 2.956,1203 3.249,1204 2.801,1205 4.293,1206 2.773,1207 2.879,1208 2.922,1209 2.798,1210 2.743,1211 4.026,1212 2.743,1213 0.135,1214 0.11,1215 0.199,1216 0.123,1217 0.095,1218 4.574,1219 0.126,1220 3.737,1221 0.035,1222 6.763,1223 0.326,1224 4.179,1225 0.09,1226 3.229,1227 4.284,1228 1.2,1229 11.09,1230 3.07,1231 1.929,1232 1.917,1233 1.996,1234 1.991,1235 1.18,1236 1.996,1237 1.891,1238 1.867,1239 1.981,1240 1.986,1241 1.114,1242 1.991,1243 1.666,1244 1.635,1245 1.841,1246 1.797,1247 1.082,1248 1.812,1249 1.502,1250 1.499,1251 1.65,1252 1.671,1253 0.745,1254 1.667,1255 1.408,1256 1.371,1257 1.551,1258 1.662,1259 0.694,1260 1.624,1261 1.241,1262 1.136,1263 1.418,1264 1.507,1265 0.574,1266 1.502,1267 1.188,1268 1.119,1269 1.39,1270 1.37,1271 0.395,1272 1.41,1273 1.032,1274 0.998,1275 1.149,1276 1.169,1277 0.239,1278 1.198,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.73,1286 7.424,1287 10.394,1289 1.753,1290 6.284,1295 1.324,1297 6.024,1300 1.604,1305 33.723,1306 82.223,1307 184.453,1308 231.323,1309 255.323,1310 259.323,1311 259.323,1312 45.154,1313 8.265,1314 58.22,1315 86.46,1316 29,1317 12.824,1318 4.585,1319 3.7,1320 41.625,1321 122,1322 112,1323 0.169,1324 210.065,1325 356.32,1326 504.319,1327 47348,1328 2.1,1329 20.665,1330 0.689,1331 0.592,1332 21.518,1333 17.757,1334 14.614,1335 0.43,1336 0.316,1337 9.524,1338 13.443,1339 9.188,1340 7.565,1341 15.311,1342 10.727,1343 13.272,1344 0.271,1345 0.174,1346 14.258,1347 8.536,1348 12.06,1349 0.175,1350 0.098,1351 13.293,1352 6.743,1353 10.151,1354 0.11,1355 0.056,1356 11.479,1357 5.113,1358 7.777,1359 0.069,1360 0.03,1361 8.854,1362 3.359,1363 0.263,1364 98.051,1365 0.208,1366 28.178,1367 0.467,1368 166,1369 476.158,1370 218.09,1371 513.765,1372 703.73,1373 482,1374 201,1375 488.683,1376 250.981,1377 521.895,1378 770.75,1379 492,1380 9.222}
{0 CHEMBL1796758,1 1.739,2 9.4,3 4.156,4 17.272,5 100.478,6 9.272,7 0.607,8 3.814,9 3.896,10 3.621,11 3.488,12 4.956,13 3.445,14 4.327,15 4.454,16 4.038,17 3.895,18 5.438,19 3.831,20 4.559,21 4.691,22 4.237,23 4.047,24 5.711,25 3.977,26 4.61,27 4.745,28 4.183,29 4.084,30 5.759,31 3.965,32 4.583,33 4.74,34 3.96,35 3.998,36 5.724,37 3.847,38 4.477,39 4.691,40 3.845,41 3.769,42 5.578,43 3.63,44 4.208,45 4.382,46 3.629,47 3.556,48 5.402,49 3.468,50 4.147,51 4.343,52 3.439,53 3.496,54 5.173,55 3.403,56 0.037,57 0.522,58 5.431,59 3.474,60 5.392,61 3.93,62 0.216,63 0.896,64 12.784,65 6.183,66 15.684,67 6.696,68 0.316,69 1.087,70 21.084,71 8.502,72 24.532,73 9.014,74 0.329,75 1.157,76 23.832,77 9.88,78 34.852,79 9.871,80 0.353,81 1.109,82 31.672,83 10.849,84 43.503,85 11.306,86 0.348,87 1.038,88 26.052,89 8.865,90 45.16,91 9.86,92 0.359,93 0.774,94 17.216,95 6.124,96 35.922,97 6.789,98 0.161,99 0.709,100 12.296,101 5.431,102 21.521,103 6.729,104 10,105 40,106 0.304,107 0.655,108 0.808,109 0.884,110 0.893,111 0.893,112 3.268,113 0.972,114 -4.4,115 -4.33,116 -4.08,119 47.5,121 1,124 1,125 1,142 6,143 2,144 3,145 2,152 2,158 1,172 6,174 1,175 5,183 9,187 9,195 8,198 1,199 6,207 7,212 5,220 8,223 1,224 2,232 4,236 2,237 6,245 3,250 3,258 3,263 3,271 3,275 815,276 17.052,277 17.052,278 17.052,279 17.052,280 17.052,281 14.922,282 15.614,283 9.97,284 17.595,285 13.795,286 13.795,287 13.795,288 13.795,289 13.795,290 10.506,291 15.921,292 4.698,293 14.734,294 3.583,295 1.579,296 0.707,297 0.269,298 0.219,299 0.219,300 3.966,301 1,304 1,305 1,306 517,307 3.082,310 39.099,311 129.794,312 56.287,315 81.96,316 95.205,318 1.424,319 22.62,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 53.333,331 235,332 4.559,333 3.737,334 6.757,335 4.165,336 3.219,337 4.256,338 1.2,339 11.061,340 3.04,341 4.329,342 3.278,343 6.609,344 3.984,345 3.037,346 3.877,347 0.86,348 10.354,349 2.866,350 4.051,351 3.118,352 6.025,353 3.604,354 2.66,355 3.635,356 0.293,357 8.553,358 2.493,359 3.697,360 2.735,361 5.691,362 3.3,363 2.337,364 3.036,366 7.407,367 2.234,368 3.067,369 2.194,370 4.903,371 2.735,372 1.815,373 2.247,375 5.07,376 1.656,377 3.021,378 2.172,379 4.72,380 2.658,381 1.754,382 2.147,384 4.925,385 1.562,386 2.905,387 1.741,388 4.068,389 2.442,390 1.46,391 2.077,393 3.222,394 1.427,395 2.859,396 1.576,397 3.859,398 2.318,399 1.414,400 2.008,402 3.166,403 1.22,404 2.647,405 1.52,406 3.614,407 2.14,408 1.181,409 1.659,411 2.904,412 1.115,413 2.372,414 1.183,415 3.591,416 1.935,417 0.98,418 1.318,420 2.415,421 0.927,422 2.128,423 1.028,424 3.363,425 1.677,426 0.793,427 1.042,428 2.061,429 0.682,430 1.922,431 0.863,432 3.19,433 1.452,434 0.457,435 0.617,436 1.063,437 0.439,438 1.157,439 0.336,440 2.661,441 0.868,442 -0.069,443 -0.081,445 -0.169,446 -0.063,447 1,448 0.202,449 2.507,450 0.506,451 -0.286,452 -0.343,454 -0.611,455 -0.187,456 0.847,457 -0.163,458 2.311,459 0.49,460 -0.441,461 -0.541,463 -1.143,464 -0.405,465 12.514,466 0.501,467 0.61,468 0.024,469 34.75,470 1.39,471 18.5,472 0.74,473 16.25,474 0.65,475 20.157,476 0.806,477 25.286,478 0.632,479 23.74,480 0.95,481 6.71,482 0.268,483 5.438,484 0.218,485 0.124,487 0.352,493 0.681,494 1.134,495 0.586,496 0.834,497 0.548,498 0.799,499 0.944,500 0.861,501 0.703,502 0.707,503 0.659,504 0.723,505 0.996,506 1.032,507 0.881,508 1.03,509 0.832,510 0.906,511 1.216,512 1.038,513 1.179,514 1.183,515 1.428,516 1.098,517 0.982,518 1.193,519 1.566,520 1.517,521 1.102,522 1.297,523 0.963,524 0.964,525 0.792,526 0.905,527 1.422,528 0.944,529 0.996,530 1.002,531 1.01,532 0.979,533 1.397,534 0.962,535 0.866,536 1,537 0.66,538 0.813,539 0.948,540 0.993,541 4,542 0.058,543 3.333,544 2.319,545 1.519,546 0.813,547 0.418,548 0.4,549 0.213,550 0.12,551 6954,552 21409,553 2.13,554 37.5,556 11,558 2,561 2,564 1.682,565 2,566 3.219,567 -0.751,569 1,573 69.563,574 1.739,575 3.743,576 4.615,577 5.053,578 5.103,579 5.103,580 2.649,581 4.404,582 4.619,583 3.342,584 1002.58,585 7.995,586 11753.1,588 1,590 1,591 212.877,592 1.388,593 4.579,594 0.143,595 0.004,596 0.083,597 0.052,598 0.038,599 0.025,600 0.015,601 0.016,602 0.01,603 0.006,604 0.392,605 0.33,606 1,607 0.553,608 118.749,609 -0.023,610 -0.135,611 0.039,612 -0.014,613 -0.035,614 0.003,615 -0.053,616 0.184,617 0.072,618 0.194,619 -0.015,620 0.137,621 0.031,622 -0.041,623 0.059,624 -0.052,625 0.046,626 0.004,627 -0.141,628 -0.045,629 -0.124,630 -0.098,631 -0.148,632 -0.155,633 -0.045,634 -0.232,635 -0.319,636 -0.348,637 0.011,638 -0.274,639 0.002,640 0.042,641 0.15,642 0.118,643 -0.029,644 0.086,645 0.124,646 -0.005,647 -0.055,648 -0.021,649 0.033,650 -0.006,651 -0.052,652 -0.07,653 0.036,654 -0.005,655 -0.045,656 -0.027,657 1.746,658 5.939,659 0.8,660 18.496,661 1.011,662 1.105,663 3.169,664 10.044,665 0.744,666 3.367,667 3.714,668 4.043,669 4.317,670 4.533,671 4.654,672 4.771,673 4.905,674 5.037,675 5.069,676 5.619,677 0.704,678 370.88,679 3.367,680 4.92,681 5.796,682 6.688,683 7.58,684 8.479,685 9.376,686 10.278,687 11.178,688 12.082,689 5,696 1,699 1,704 8,705 1,708 1,709 7,711 17,719 1,729 1,730 1,731 40,733 18,734 1,735 28,737 43,738 19,739 15,740 2,741 4,742 1,746 4,747 7,748 1,755 1,758 1,761 16,762 3,766 1,771 1,775 1,778 1,781 15,782 4,784 6,785 2,790 2,794 0.5,795 2,805 1,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,845 1,848 25,854 2,856 1,859 1,865 1,869 1,870 5,873 1,875 1,877 12.5,878 7.71,879 5.444,880 2.351,881 3.162,882 1.417,883 1.018,884 4.484,885 10.743,886 3.651,887 4.266,888 4.886,889 5.457,890 5.938,891 6.198,892 6.542,893 6.907,894 7.258,895 7.543,896 1,897 45,898 9.237,900 3.987,901 7.731,902 17.622,904 14.667,905 2.231,906 55.778,909 1,910 176.567,911 147.047,912 19.91,913 39.149,914 36.145,916 31.278,917 115.769,918 251.86,919 19.91,920 8.396,921 10.251,922 56.857,923 70.177,924 46.967,925 2.717,926 184.302,927 39.149,928 176.567,929 135.679,930 36.145,931 70.426,933 153.024,934 59.687,937 28.346,938 90.547,939 55.934,940 31.278,941 176.567,942 56.055,943 186.195,946 176.567,947 63.698,948 86.473,950 92.079,951 176.567,952 56.055,953 186.195,955 0.587,956 0.361,957 0.198,958 0.104,959 21,960 9,961 0.047,962 2,963 2,964 1.2,965 3.638,966 218.587,967 0.2,968 20,969 116.096,970 1,974 16.553,975 6.773,976 3.048,978 56.055,979 14.827,980 3.967,983 1.498,984 5.954,987 418.817,988 37.5,993 12.939,997 -0.079,999 40.444,1000 44.186,1001 0.327,1002 0.703,1003 0.867,1004 0.949,1005 0.959,1006 0.959,1007 4.892,1008 1.414,1009 5.79,1010 3.222,1011 4.394,1012 4.952,1013 1.679,1014 6.642,1015 4.267,1016 6.106,1017 1.181,1018 7.377,1019 3.166,1020 4.007,1021 4.732,1022 0.325,1023 7.621,1024 3.803,1025 7.421,1026 0.98,1027 9.069,1028 2.904,1029 6.023,1030 7.15,1031 1.728,1032 10.768,1033 5.789,1034 8.775,1035 0.793,1036 10.823,1037 2.415,1038 6.494,1039 7.782,1040 0.653,1041 12.576,1042 6.18,1043 10.164,1044 0.457,1045 12.615,1046 2.061,1047 7.965,1048 9.643,1049 1.872,1050 15.23,1051 7.622,1052 11.576,1053 -0.069,1054 14.432,1055 1.063,1056 8.813,1057 10.667,1058 1.001,1059 17.361,1060 8.393,1061 13.007,1062 -0.286,1063 16.268,1064 -0.169,1065 10.077,1066 12.293,1067 2.071,1068 19.846,1069 9.62,1070 3.219,1071 -0.441,1072 18.116,1073 -0.611,1074 11.092,1075 13.509,1076 1.37,1077 22.113,1078 10.562,1079 3.037,1080 11.061,1081 19.974,1082 -1.143,1083 12.277,1084 15.026,1085 2.309,1086 24.535,1087 11.704,1088 2.66,1089 10.354,1090 21.839,1091 4.256,1092 13.365,1093 16.34,1094 1.754,1095 26.864,1096 12.725,1097 2.337,1098 8.553,1099 23.709,1100 3.877,1101 14.523,1102 17.807,1103 2.576,1104 29.261,1105 13.833,1106 1.815,1107 7.407,1108 25.584,1109 3.635,1110 15.643,1111 19.173,1112 2.143,1113 31.619,1114 14.891,1115 1.754,1116 5.07,1117 27.463,1118 3.036,1119 16.793,1120 20.618,1121 2.865,1122 34.008,1123 15.987,1124 1.46,1125 4.925,1126 29.345,1127 2.247,1128 17.928,1129 22.013,1130 2.535,1131 36.381,1132 17.063,1133 6568,1134 11657,1135 18.898,1136 29.756,1137 42.971,1138 43.943,1139 44.209,1140 42.449,1141 42.216,1142 55.838,1143 4.706,1144 124.4,1145 39.324,1146 5.43,1147 5.737,1148 6.443,1149 5.316,1150 5.219,1151 7.256,1152 2.293,1153 18.469,1154 5.04,1155 10.462,1156 1.535,1157 1.569,1158 1.579,1159 1.516,1160 1.508,1161 1.994,1162 0.168,1163 4.443,1164 1.404,1165 4.051,1166 4.058,1167 4.291,1168 4.05,1169 7.428,1170 4.005,1171 3.886,1172 3.92,1173 3.994,1174 3.779,1175 5.015,1176 3.786,1177 3.727,1178 3.746,1179 3.77,1180 3.695,1181 4.881,1182 3.668,1183 3.444,1184 3.499,1185 3.376,1186 3.257,1187 4.476,1188 3.258,1189 3.274,1190 3.335,1191 3.29,1192 3.071,1193 4.45,1194 3.065,1195 2.917,1196 2.962,1197 3.222,1198 2.794,1199 4.321,1200 2.767,1201 2.878,1202 2.922,1203 2.796,1204 2.768,1205 4.069,1206 2.757,1207 2.835,1208 2.874,1209 2.775,1210 2.716,1211 3.615,1212 2.707,1213 0.163,1214 0.133,1215 0.241,1216 0.149,1217 0.115,1218 4.559,1219 0.152,1220 3.737,1221 0.043,1222 6.757,1223 0.395,1224 4.165,1225 0.109,1226 3.219,1227 4.256,1228 1.2,1229 11.061,1230 3.04,1231 1.896,1232 1.881,1233 1.985,1234 1.977,1235 1.159,1236 1.977,1237 1.834,1238 1.803,1239 1.909,1240 1.966,1241 1.077,1242 1.965,1243 1.658,1244 1.625,1245 1.837,1246 1.795,1247 0.992,1248 1.81,1249 1.465,1250 1.458,1251 1.619,1252 1.648,1253 0.692,1254 1.646,1255 1.176,1256 1.122,1257 1.417,1258 1.377,1259 0.568,1260 1.41,1261 1.142,1262 1.087,1263 1.211,1264 1.257,1265 0.502,1266 1.294,1267 0.868,1268 0.824,1269 1.124,1270 1.035,1271 0.185,1272 1.07,1273 0.852,1274 0.795,1275 1.093,1276 1.017,1277 0.162,1278 1.059,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.844,1285 8.532,1286 7.034,1287 10.195,1289 1.728,1290 6.171,1295 1.397,1297 5.809,1300 1.567,1305 28.175,1306 69.563,1307 149.716,1308 184.612,1309 202.122,1310 204.122,1311 204.122,1312 37.911,1313 7.581,1314 42.43,1315 70.67,1316 24,1317 12.602,1318 4.248,1319 3.392,1320 35.855,1321 85,1322 76,1323 0.211,1324 178.15,1325 304.66,1326 426.445,1327 20344,1328 2.5,1329 17.389,1330 0.696,1331 0.604,1332 18.242,1333 15.103,1334 12.148,1335 0.434,1336 0.324,1337 7.881,1338 11.053,1339 7.574,1340 6.234,1341 12.845,1342 9.068,1343 10.939,1344 0.273,1345 0.18,1346 11.925,1347 7.21,1348 9.88,1349 0.176,1350 0.102,1351 11.113,1352 5.687,1353 8.233,1354 0.111,1355 0.059,1356 9.561,1357 4.376,1358 6.552,1359 0.071,1360 0.032,1361 7.643,1362 2.899,1363 0.324,1364 82.753,1365 0.23,1366 23.874,1367 0.601,1368 136,1369 407.825,1370 186.702,1371 443.874,1372 601.43,1373 416,1374 164,1375 404.978,1376 212.724,1377 436.423,1378 645.96,1379 411,1380 6.325}
{0 CHEMBL1796759,1 1.776,2 11.5,3 4.118,4 16.96,5 119.301,6 9.297,7 0.647,8 3.989,9 4.081,10 3.79,11 3.637,12 5.154,13 3.608,14 4.495,15 4.625,16 4.201,17 4.056,18 5.619,19 4.007,20 4.707,21 4.839,22 4.359,23 4.206,24 5.848,25 4.14,26 4.784,27 4.922,28 4.347,29 4.259,30 5.931,31 4.155,32 4.809,33 4.979,34 4.17,35 4.185,36 5.932,37 4.06,38 4.697,39 4.9,40 4.118,41 4.004,42 5.805,43 3.895,44 4.487,45 4.643,46 3.999,47 3.918,48 5.644,49 3.828,50 4.542,51 4.739,52 3.887,53 3.892,54 5.536,55 3.788,56 0.084,57 0.684,58 6.287,59 3.939,60 7.509,61 4.332,62 0.273,63 1.119,64 14.289,65 6.909,66 18.907,67 7.33,68 0.362,69 1.306,70 22.485,71 9.52,72 26.427,73 10.133,74 0.357,75 1.416,76 25.971,77 11.329,78 37.145,79 11.662,80 0.461,81 1.438,82 36.369,83 12.649,84 51.335,85 13.332,86 0.543,87 1.289,88 28.956,89 10.205,90 54.88,91 11.286,92 0.409,93 1.06,94 20.017,95 7.929,96 39.006,97 8.599,98 0.282,99 1.16,100 21.047,101 8.243,102 28.816,103 9.652,104 10,105 49,106 0.297,107 0.675,108 0.833,109 0.891,110 0.898,111 0.898,112 3.441,113 0.933,114 -4.16,115 -4.11,116 -3.88,119 46.8,121 1,124 1,125 1,142 5,143 4,144 3,145 3,151 1,152 2,158 1,168 1,172 7,174 1,175 6,180 1,183 11,187 10,192 1,195 9,198 1,199 9,204 2,207 8,212 6,217 1,220 8,223 2,224 3,227 1,229 1,232 7,236 2,237 6,245 4,250 6,255 3,258 3,263 6,268 1,271 3,275 1390,276 20.568,277 20.568,278 20.568,279 20.568,280 20.568,281 17.908,282 15.614,283 11.966,284 21.17,285 16.766,286 16.766,287 16.766,288 16.766,289 16.766,290 12.65,291 15.921,292 5.657,293 17.792,294 3.779,295 1.517,296 0.577,297 0.229,298 0.186,299 0.186,300 4.15,301 1,304 1,305 1,306 768,307 3.24,310 123.426,311 157.41,312 71.258,315 104.76,316 116.696,318 1.933,319 26.461,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 64.333,331 345,332 4.574,333 3.737,334 6.763,335 4.179,336 3.229,337 4.284,338 1.2,339 11.09,340 3.069,341 4.355,342 3.295,343 6.614,344 4.008,345 3.056,346 3.937,347 0.86,348 10.37,349 2.905,350 4.218,351 3.123,352 6.176,353 3.822,354 2.85,355 3.831,356 0.293,357 9.185,358 2.762,359 3.972,360 2.873,361 5.996,362 3.55,363 2.598,364 3.489,366 8.428,367 2.448,368 3.677,369 2.639,370 5.668,371 3.272,372 2.309,373 3.033,375 7.352,376 2.211,377 3.222,378 2.193,379 4.906,380 2.759,381 1.815,382 2.522,384 5.116,385 1.726,386 3.047,387 2.169,388 4.742,389 2.719,390 1.79,391 2.218,393 4.96,394 1.632,395 3.02,396 1.79,397 4.434,398 2.635,399 1.718,400 2.147,402 4.431,403 1.545,404 2.859,405 1.741,406 4.069,407 2.318,408 1.414,409 2.009,411 3.22,412 1.22,413 2.651,414 1.576,415 3.879,416 2.149,417 1.193,418 1.67,420 2.938,421 1.124,422 2.496,423 1.183,424 3.605,425 2.014,426 1.047,427 1.484,428 2.687,429 1.005,430 2.283,431 1.062,432 3.403,433 1.857,434 0.913,435 1.195,436 2.184,437 0.853,438 2.128,439 1.027,440 3.297,441 1.667,442 0.753,443 1.036,445 1.949,446 0.673,447 2.118,448 0.774,449 3.197,450 1.547,451 0.618,452 0.927,454 1.372,455 0.572,456 1.922,457 0.618,458 3,459 1.452,460 0.459,461 0.618,463 1.07,464 0.44,465 14.814,466 0.494,467 0.73,468 0.024,469 42.25,470 1.408,471 22.5,472 0.75,473 19.75,474 0.658,475 25.064,476 0.835,477 30.186,478 0.642,479 30.819,480 1.027,481 8.204,482 0.273,483 6.411,484 0.214,485 0.104,487 0.365,493 0.699,494 1.065,495 0.588,496 0.814,497 0.555,498 0.775,499 0.981,500 0.867,501 0.714,502 0.698,503 0.686,504 0.711,505 0.967,506 0.994,507 0.91,508 1.059,509 0.843,510 0.96,511 1.092,512 1.07,513 1.14,514 1.223,515 1.345,516 1.133,517 1.042,518 1.125,519 1.467,520 1.432,521 1.068,522 1.238,523 1.055,524 0.843,525 0.759,526 0.816,527 1.374,528 0.889,529 0.956,530 1.038,531 1.043,532 1.049,533 1.253,534 1.014,535 0.818,536 1.139,537 0.899,538 1.083,539 0.859,540 1.085,541 5,542 0.128,543 4,544 2.41,545 1.881,546 1.094,547 0.604,548 0.506,549 0.298,550 0.191,551 12321,552 37995,553 2.165,554 36.2,556 10,557 1,558 3,559 1,561 2,564 1.728,565 2.045,566 3.486,567 -0.316,569 1,573 83.471,574 1.776,575 4.038,576 4.978,577 5.326,578 5.368,579 5.368,580 2.966,581 4.574,582 4.876,583 3.654,584 1589.32,585 8.507,586 21481,588 1,591 261.066,592 1.347,593 4.848,594 0.147,595 0.006,596 0.082,597 0.045,598 0.038,599 0.025,600 0.016,601 0.014,602 0.009,603 0.007,604 0.389,605 0.5,606 0.88,607 0.496,608 153.146,609 -0.004,610 -0.02,611 0.037,612 0.016,613 -0.026,614 0.021,615 -0.096,616 0.183,617 0.055,618 0.206,619 -0.03,620 0.147,621 0.001,622 -0.024,623 0.02,624 -0.068,625 0.022,626 -0.036,627 -0.101,628 -0.107,629 -0.109,630 -0.139,631 -0.124,632 -0.171,633 -0.063,634 -0.172,635 -0.262,636 -0.283,637 0.008,638 -0.205,639 0.046,640 0.123,641 0.173,642 0.2,643 -0.022,644 0.131,645 0.06,646 -0.061,647 -0.067,648 -0.029,649 0.001,650 -0.055,651 -0.049,652 -0.154,653 -0.02,654 -0.11,655 -0.068,656 -0.081,657 1.765,658 6.138,659 0.833,660 30.4,661 1.014,662 1.11,663 2.932,664 8.595,665 0.74,666 3.555,667 3.912,668 4.248,669 4.533,670 4.736,671 4.92,672 5.088,673 5.268,674 5.455,675 5.568,676 6.747,677 0.707,678 436.95,679 3.555,680 5.118,681 5.999,682 6.895,683 7.789,684 8.691,685 9.591,686 10.495,687 11.399,688 12.306,689 8.5,696 1,697 1,699 2,704 9,705 2,706 1,708 1,709 9,711 22,719 1,729 1,730 1,731 47,733 23,734 1,735 34,737 51,738 22,739 18,740 3,741 3,742 1,746 5,747 8,748 1,755 1,758 1,761 19,762 3,766 1,771 1,775 1,778 1,781 17,782 5,783 1,784 8,785 2,790 4,794 0.6,795 2,803 1,805 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,844 1,845 1,848 30,854 2,856 1,859 1,865 1,869 1,870 4.3,873 1,875 1,877 14.667,878 8.993,879 6.472,880 2.725,881 3.798,882 1.46,883 1.039,884 5.15,885 12.063,886 3.85,887 4.483,888 5.119,889 5.712,890 6.165,891 6.541,892 6.968,893 7.401,894 7.836,895 8.213,896 0.875,897 53,898 11.067,900 4.814,901 7.72,902 21.089,904 17.678,905 2.22,906 66.611,909 1,910 188.338,911 162.036,912 53.236,913 39.149,914 36.145,916 31.278,917 130.759,918 263.631,919 53.236,920 8.396,921 10.251,922 56.429,923 98.611,924 79.048,925 14.488,926 172.531,927 39.149,928 188.338,929 183.995,930 36.145,931 70.426,933 164.795,934 59.687,937 54.056,938 96.49,939 72.597,940 31.278,941 188.338,942 89.381,943 201.185,946 188.338,947 70.069,948 95.092,949 16.663,950 108.742,951 188.338,952 89.381,953 201.185,955 0.589,956 0.361,957 0.197,958 0.099,959 26,960 11,961 0.059,962 3,963 2,964 1.16,965 4.124,966 285.001,967 0.16,968 25,969 145.207,970 1,974 19.432,975 7.95,976 3.592,978 72.718,979 16.629,980 8.003,981 2.836,983 1.483,984 7.788,986 16.663,987 478.903,988 46,993 13.138,997 -0.098,999 47.647,1000 52.182,1001 0.32,1002 0.727,1003 0.896,1004 0.959,1005 0.966,1006 0.966,1007 5.097,1008 1.718,1009 5.994,1010 4.96,1011 4.595,1012 5.17,1013 1.679,1014 6.847,1015 4.483,1016 6.316,1017 1.414,1018 7.58,1019 4.431,1020 4.205,1021 4.945,1022 0.325,1023 7.813,1024 4.04,1025 7.633,1026 1.193,1027 9.269,1028 3.22,1029 6.229,1030 7.382,1031 1.728,1032 10.953,1033 6.029,1034 8.99,1035 1.047,1036 11.017,1037 2.938,1038 6.698,1039 8.022,1040 0.653,1041 12.743,1042 6.445,1043 10.379,1044 0.913,1045 12.804,1046 2.687,1047 8.163,1048 9.874,1049 1.872,1050 15.386,1051 7.876,1052 11.792,1053 0.753,1054 14.615,1055 2.184,1056 9.006,1057 10.906,1058 1.001,1059 17.5,1060 8.662,1061 13.222,1062 0.618,1063 16.443,1064 1.949,1065 10.263,1066 12.519,1067 2.071,1068 19.974,1069 9.883,1070 3.229,1071 0.459,1072 18.284,1073 1.372,1074 11.271,1075 13.742,1076 1.37,1077 22.229,1078 10.833,1079 3.056,1080 11.09,1081 20.135,1082 1.07,1083 12.45,1084 15.249,1085 2.309,1086 24.64,1087 11.972,1088 2.85,1089 10.37,1090 21.992,1091 4.284,1092 13.531,1093 16.568,1094 1.754,1095 26.96,1096 12.997,1097 2.598,1098 9.185,1099 23.856,1100 3.937,1101 14.683,1102 18.028,1103 2.576,1104 29.35,1105 14.104,1106 2.309,1107 8.428,1108 25.724,1109 3.831,1110 15.798,1111 19.396,1112 2.143,1113 31.702,1114 15.165,1115 1.815,1116 7.352,1117 27.595,1118 3.489,1119 16.943,1120 20.837,1121 2.865,1122 34.086,1123 16.262,1124 1.79,1125 5.116,1126 29.471,1127 3.033,1128 18.074,1129 22.233,1130 2.535,1131 36.455,1132 17.341,1133 11369,1134 20116,1135 23.175,1136 34.767,1137 52.491,1138 53.155,1139 53.026,1140 51.748,1141 51.524,1142 68.799,1143 4.706,1144 152.704,1145 48.372,1146 5.449,1147 5.737,1148 6.448,1149 5.331,1150 5.229,1151 7.284,1152 2.293,1153 18.499,1154 5.069,1155 12.083,1156 1.544,1157 1.563,1158 1.56,1159 1.522,1160 1.515,1161 2.024,1162 0.138,1163 4.491,1164 1.423,1165 4.079,1166 4.095,1167 4.293,1168 4.064,1169 7.428,1170 4.027,1171 3.917,1172 3.955,1173 3.994,1174 3.826,1175 5.05,1176 3.819,1177 3.855,1178 3.892,1179 3.923,1180 3.764,1181 5.009,1182 3.76,1183 3.645,1184 3.68,1185 3.642,1186 3.504,1187 4.833,1188 3.517,1189 3.436,1190 3.493,1191 3.367,1192 3.251,1193 4.456,1194 3.251,1195 3.274,1196 3.335,1197 3.288,1198 3.068,1199 4.45,1200 3.063,1201 2.912,1202 2.955,1203 3.222,1204 2.794,1205 4.294,1206 2.767,1207 2.878,1208 2.922,1209 2.797,1210 2.739,1211 4.069,1212 2.737,1213 0.135,1214 0.11,1215 0.199,1216 0.123,1217 0.095,1218 4.574,1219 0.126,1220 3.737,1221 0.035,1222 6.763,1223 0.326,1224 4.179,1225 0.09,1226 3.229,1227 4.284,1228 1.2,1229 11.09,1230 3.069,1231 1.928,1232 1.917,1233 1.996,1234 1.987,1235 1.18,1236 1.993,1237 1.834,1238 1.803,1239 1.909,1240 1.976,1241 1.112,1242 1.965,1243 1.663,1244 1.63,1245 1.837,1246 1.795,1247 0.993,1248 1.81,1249 1.487,1250 1.486,1251 1.619,1252 1.67,1253 0.712,1254 1.647,1255 1.402,1256 1.366,1257 1.551,1258 1.648,1259 0.68,1260 1.624,1261 1.241,1262 1.135,1263 1.418,1264 1.507,1265 0.568,1266 1.502,1267 1.173,1268 1.093,1269 1.39,1270 1.368,1271 0.394,1272 1.408,1273 1.032,1274 0.998,1275 1.139,1276 1.169,1277 0.239,1278 1.197,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.73,1286 7.424,1287 10.394,1289 1.725,1290 6.221,1295 1.305,1297 6.017,1300 1.564,1305 33.217,1306 83.471,1307 189.765,1308 233.946,1309 250.311,1310 252.311,1311 252.311,1312 45.357,1313 8.265,1314 71.11,1315 99.35,1316 29,1317 12.824,1318 4.585,1319 3.7,1320 41.625,1321 122,1322 112,1323 0.169,1324 207.267,1325 350.02,1326 497.492,1327 47348,1328 2.1,1329 20.665,1330 0.689,1331 0.588,1332 21.518,1333 17.627,1334 14.614,1335 0.43,1336 0.311,1337 9.356,1338 13.372,1339 9.033,1340 7.431,1341 15.311,1342 10.577,1343 13.272,1344 0.271,1345 0.172,1346 14.258,1347 8.412,1348 12.06,1349 0.175,1350 0.096,1351 13.293,1352 6.613,1353 10.151,1354 0.11,1355 0.054,1356 11.479,1357 5.013,1358 7.777,1359 0.069,1360 0.029,1361 8.854,1362 3.257,1363 0.263,1364 98.551,1365 0.208,1366 28.178,1367 0.467,1368 166,1369 495.803,1370 219.477,1371 531.005,1372 725.13,1373 498,1374 201,1375 502.796,1376 252.804,1377 535.541,1378 789.41,1379 504,1380 7.187}
{0 CHEMBL1796760,1 1.765,2 13.515,3 3.723,4 13.858,5 129.589,6 8.8,7 0.472,8 4.114,9 4.21,10 3.85,11 3.72,12 5.286,13 3.689,14 4.634,15 4.782,16 4.267,17 4.127,18 5.804,19 4.076,20 4.86,21 4.992,22 4.48,23 4.307,24 6.106,25 4.256,26 4.969,27 5.101,28 4.477,29 4.359,30 6.239,31 4.276,32 4.95,33 5.11,34 4.343,35 4.305,36 6.185,37 4.182,38 4.881,39 5.096,40 4.231,41 4.164,42 5.939,43 4.036,44 4.736,45 4.901,46 4.155,47 4.025,48 5.978,49 3.957,50 4.699,51 4.877,52 4.018,53 4.007,54 5.961,55 3.922,56 0.095,57 0.77,58 8.771,59 4.996,60 9.909,61 5.649,62 0.423,63 1.252,64 19.963,65 8.644,66 32.581,67 9.913,68 0.422,69 1.487,70 28.207,71 11.659,72 41.778,73 12.814,74 0.643,75 1.638,76 33.886,77 13.241,78 89.724,79 13.142,80 0.769,81 1.579,82 42.431,83 14.474,84 85.323,85 15.888,86 0.524,87 1.471,88 37.168,89 13.012,90 62.005,91 15.61,92 0.671,93 1.273,94 31.845,95 10.053,96 69.222,97 10.899,98 0.566,99 1.258,100 23.598,101 9.319,102 85.326,103 10.663,104 58,105 52,106 0.288,107 0.611,108 0.732,109 0.829,110 0.849,111 0.861,112 3.532,113 0.954,114 -3.82,115 -3.78,116 -3.59,119 43.6,121 1,124 3,125 1,142 7,143 4,144 3,152 2,158 3,172 9,174 1,175 6,178 2,180 2,183 12,187 14,192 4,195 10,199 9,204 2,207 8,211 1,212 9,215 1,217 2,220 8,223 1,224 3,227 1,232 8,236 2,237 7,242 3,245 7,249 1,250 3,253 1,255 1,258 8,263 3,268 2,271 7,275 1887,276 22.102,277 22.102,278 22.102,279 22.102,280 22.102,281 19.844,282 24.329,283 12.529,284 22.69,285 17.539,286 17.539,287 17.539,288 17.539,289 17.539,290 13.682,291 22.305,292 5.706,293 18.393,294 4.016,295 2.044,296 1.303,297 0.709,298 0.587,299 0.514,300 4.222,301 1,305 1,306 949,307 4.301,310 61.906,311 187.29,312 86.143,315 126.126,316 142.738,318 2.046,319 41.843,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71.833,331 446,332 4.573,333 3.74,334 6.763,335 4.18,336 3.231,337 4.278,338 1.2,339 11.089,340 3.068,341 4.395,342 3.561,343 6.622,344 4.034,345 3.079,346 4.007,347 1.058,348 10.41,349 2.938,350 4.215,351 3.556,352 6.136,353 3.827,354 2.842,355 3.815,356 1.058,357 8.972,358 2.795,359 4.026,360 3.267,361 6.04,362 3.712,363 2.716,364 3.38,365 0.86,366 8.601,367 2.69,368 3.837,369 3.109,370 5.892,371 3.459,372 2.493,373 3.201,374 0.293,375 8.053,376 2.382,377 3.598,378 2.738,379 5.636,380 3.216,381 2.246,382 2.891,384 7.204,385 2.161,386 3.023,387 2.204,388 4.893,389 2.732,390 1.813,391 2.156,393 5.028,394 1.649,395 3.008,396 2.18,397 4.725,398 2.622,399 1.711,400 2.12,402 4.921,403 1.542,404 2.865,405 1.913,406 4.162,407 2.425,408 1.44,409 1.943,411 3.532,412 1.408,413 2.846,414 1.883,415 4.113,416 2.363,417 1.414,418 1.934,420 3.401,421 1.274,422 2.663,423 1.74,424 4.03,425 2.182,426 1.214,427 1.67,428 3.287,429 1.152,430 2.41,431 1.184,432 3.877,433 1.979,434 1.015,435 1.363,436 2.652,437 0.969,438 2.131,439 1.161,440 3.407,441 1.713,442 0.829,443 1.052,445 2.124,446 0.715,447 1.964,448 1.094,449 3.294,450 1.508,451 0.511,452 0.678,454 1.192,455 0.492,456 1.475,457 1.086,458 2.777,459 1.19,460 0.21,461 0.247,463 0.289,464 0.203,465 16.081,466 0.487,467 0.925,468 0.028,469 42.75,470 1.295,471 21.5,472 0.652,473 21.25,474 0.644,475 30.333,476 0.919,477 34.919,478 0.635,479 36.194,480 1.097,481 8.554,482 0.259,483 7.279,484 0.221,485 0.2,487 0.398,493 0.695,494 1.19,495 0.629,496 0.889,497 0.547,498 0.847,499 0.782,500 0.766,501 0.68,502 0.666,503 0.57,504 0.679,505 0.979,506 1.098,507 0.851,508 1.037,509 0.856,510 0.904,511 1.437,512 1.096,513 1.232,514 1.124,515 1.556,516 1.081,517 0.8,518 1.139,519 1.46,520 1.424,521 0.805,522 1.255,523 0.754,524 0.959,525 0.799,526 0.921,527 0.817,528 0.949,529 1.261,530 1.04,531 1.259,532 1.076,533 1.232,534 0.989,535 1.037,536 0.954,537 0.903,538 0.903,539 1.086,540 1.021,541 7,542 0.23,543 5.111,544 2.944,545 2.382,546 1.497,547 0.847,548 0.725,549 0.44,550 0.272,551 14890,552 48445,553 2.026,554 40,556 18,559 2,561 2,564 1.752,565 1.85,566 3.68,567 0.222,573 97.073,574 1.765,575 3.737,576 4.478,577 5.072,578 5.195,579 5.267,580 3.169,581 4.984,582 5.011,583 3.833,584 2024.05,585 8.775,586 29852.3,591 317.975,592 1.533,593 4.95,594 0.194,595 0.008,596 0.098,597 0.048,598 0.043,599 0.031,600 0.02,601 0.017,602 0.012,603 0.008,604 0.48,605 0.33,606 0.88,607 1.118,608 175.106,609 -0.058,610 -0.078,611 0.031,612 0.015,613 -0.054,614 0.024,615 0.032,616 0.327,617 0.13,618 0.281,619 0.041,620 0.236,621 -0.037,622 -0.086,623 0.079,624 -0.024,625 0.017,626 0.04,627 -0.277,628 -0.064,629 -0.172,630 -0.053,631 -0.248,632 -0.152,633 0.115,634 -0.149,635 -0.214,636 -0.278,637 0.052,638 -0.238,639 0.056,640 -0.009,641 0.191,642 0.091,643 -0.003,644 0.092,645 -0.085,646 -0.028,647 -0.128,648 -0.061,649 -0.085,650 -0.04,651 -0.059,652 0.065,653 -0.085,654 0.015,655 0.017,656 -0.084,657 1.917,658 6.285,659 0.606,660 36.474,661 1.015,662 1.115,663 2.591,664 6.715,665 0.708,666 3.611,667 3.97,668 4.29,669 4.533,670 4.771,671 4.97,672 5.13,673 5.242,674 5.375,675 5.476,676 7.538,677 0.676,678 484.01,679 3.611,680 5.176,681 6.052,682 6.946,683 7.839,684 8.739,685 9.638,686 10.542,687 11.444,688 12.35,689 5.5,696 3,704 7,708 1,709 9,711 17,718 2,719 1,729 1,730 1,731 55,733 20,734 2,735 36,737 58,738 24,739 16,740 6,741 6,742 3,746 4,747 7,748 1,755 1,758 1,761 19,762 5,766 3,771 3,775 3,781 22,782 7,783 2,784 9,785 2,790 3,794 0.5,795 4,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 3,845 1,848 33,854 2,855 2,856 1,859 1,865 1,869 1,870 7.3,873 3,875 1,877 17.833,878 11.01,879 7.333,880 3.162,881 3.371,882 1.409,883 0.99,884 6.957,885 11.613,886 3.882,887 4.491,888 5.108,889 5.654,890 6.17,891 6.543,892 6.934,893 7.232,894 7.597,895 7.948,896 1,897 61,898 12.243,900 5.29,901 7.938,902 22.871,904 18.701,905 2.438,906 80.444,910 235.422,911 171.001,912 39.146,913 39.149,914 86.435,916 31.278,917 139.724,918 361.005,919 39.146,920 25.189,921 46.273,922 66.334,923 89.549,924 35.243,925 2.717,926 266.7,927 39.149,928 235.422,929 178.869,930 86.435,931 70.426,933 211.88,934 109.977,937 46.273,938 132.597,939 39.149,940 31.278,941 235.422,942 125.58,943 210.15,946 235.422,947 79.478,948 94.647,949 36.022,950 125.583,951 235.422,952 125.58,953 210.15,955 0.59,956 0.367,957 0.185,958 0.097,959 25,960 13,961 0.069,962 4,963 2,964 1.2,965 4.212,966 313.167,967 0.2,968 20,969 166.465,970 1,974 23.582,975 9.735,976 4.593,978 125.58,979 12.046,983 1.381,984 5.768,986 36.022,987 571.152,988 47.5,993 37.112,997 -0.638,999 55.851,1000 61.349,1001 0.305,1002 0.646,1003 0.775,1004 0.877,1005 0.899,1006 0.911,1007 5.143,1008 1.711,1009 6.066,1010 5.028,1011 4.654,1012 5.179,1013 2.286,1014 6.927,1015 4.565,1016 6.371,1017 1.44,1018 7.668,1019 4.921,1020 4.369,1021 5.103,1022 0.325,1023 7.923,1024 4.246,1025 7.7,1026 1.414,1027 9.367,1028 3.532,1029 6.308,1030 7.389,1031 2.365,1032 11.032,1033 6.15,1034 9.065,1035 1.214,1036 11.121,1037 3.401,1038 6.825,1039 8.111,1040 0.653,1041 12.81,1042 6.627,1043 10.46,1044 1.015,1045 12.907,1046 3.287,1047 8.249,1048 9.889,1049 2.495,1050 15.443,1051 8.019,1052 11.876,1053 0.829,1054 14.715,1055 2.652,1056 9.11,1057 10.962,1058 1.001,1059 17.542,1060 8.831,1061 13.307,1062 0.511,1063 16.539,1064 2.124,1065 10.347,1066 12.54,1067 2.655,1068 20.01,1069 10.034,1070 3.231,1071 0.21,1072 18.375,1073 1.192,1074 11.359,1075 13.782,1076 1.37,1077 22.255,1078 10.992,1079 3.079,1080 11.089,1081 20.219,1082 0.289,1083 12.528,1084 15.274,1085 2.84,1086 24.663,1087 12.121,1088 2.842,1089 10.41,1090 22.071,1091 4.278,1092 13.608,1093 16.602,1094 1.754,1095 26.978,1096 13.147,1097 2.716,1098 8.972,1099 23.928,1100 4.007,1101 14.754,1102 18.055,1103 3.046,1104 29.366,1105 14.248,1106 2.493,1107 8.601,1108 25.79,1109 3.815,1110 15.866,1111 19.429,1112 2.143,1113 31.715,1114 15.306,1115 2.246,1116 8.053,1117 27.657,1118 3.38,1119 17.007,1120 20.866,1121 3.273,1122 34.098,1123 16.398,1124 1.813,1125 7.204,1126 29.527,1127 3.201,1128 18.137,1129 22.265,1130 2.535,1131 36.466,1132 17.473,1133 14476,1134 26237,1135 23.293,1136 38.955,1137 54.781,1138 58.342,1139 58.292,1140 54.148,1141 53.903,1142 69.911,1143 8.939,1144 162.022,1145 51.237,1146 5.449,1147 5.74,1148 6.307,1149 5.332,1150 5.231,1151 7.278,1152 2.293,1153 18.52,1154 5.068,1155 20.482,1156 1.522,1157 1.621,1158 1.619,1159 1.504,1160 1.497,1161 1.942,1162 0.248,1163 4.501,1164 1.423,1165 4.067,1166 4.074,1167 4.293,1168 4.058,1169 7.433,1170 4.019,1171 3.943,1172 3.963,1173 4.028,1174 3.876,1175 7.427,1176 3.875,1177 3.787,1178 3.802,1179 3.839,1180 3.744,1181 7.426,1182 3.722,1183 3.547,1184 3.605,1185 3.512,1186 3.316,1187 4.916,1188 3.344,1189 3.446,1190 3.515,1191 3.432,1192 3.208,1193 4.855,1194 3.224,1195 3.381,1196 3.45,1197 3.316,1198 3.176,1199 4.46,1200 3.177,1201 3.267,1202 3.333,1203 3.256,1204 3.049,1205 4.327,1206 3.046,1207 2.978,1208 3.023,1209 3.127,1210 2.81,1211 4.307,1212 2.797,1213 0.127,1214 0.104,1215 0.188,1216 0.116,1217 0.09,1218 4.573,1219 0.119,1220 3.74,1221 0.033,1222 6.763,1223 0.308,1224 4.18,1225 0.085,1226 3.231,1227 4.278,1228 1.2,1229 11.089,1230 3.068,1231 1.918,1232 1.907,1233 1.985,1234 2.013,1235 1.168,1236 2.009,1237 1.912,1238 1.894,1239 1.981,1240 1.998,1241 1.117,1242 1.995,1243 1.666,1244 1.635,1245 1.841,1246 1.806,1247 1.093,1248 1.816,1249 1.515,1250 1.501,1251 1.699,1252 1.739,1253 0.76,1254 1.732,1255 1.401,1256 1.34,1257 1.677,1258 1.689,1259 0.691,1260 1.687,1261 1.356,1262 1.291,1263 1.621,1264 1.599,1265 0.668,1266 1.614,1267 1.182,1268 1.104,1269 1.416,1270 1.377,1271 0.574,1272 1.41,1273 1.128,1274 1.073,1275 1.22,1276 1.28,1277 0.506,1278 1.304,1279 4.29,1281 5.638,1282 2.398,1283 7.177,1284 4.844,1285 8.799,1286 7.034,1287 10.465,1289 4.781,1290 6.379,1295 1.096,1296 5.163,1297 5.878,1300 1.479,1305 37.206,1306 97.073,1307 205.547,1308 246.284,1309 278.955,1310 285.71,1311 289.71,1312 76.341,1313 8.242,1314 87.74,1315 115.98,1316 24,1317 12.869,1318 4.392,1319 3.644,1320 54.495,1321 149,1322 161,1323 0.181,1324 235.043,1325 414.46,1326 565.266,1327 46040,1328 1.8,1329 23.698,1330 0.718,1331 0.603,1332 24.551,1333 19.895,1334 15.833,1335 0.44,1336 0.318,1337 10.2,1338 14.509,1339 9.769,1340 8.103,1341 16.53,1342 11.448,1343 14.287,1344 0.275,1345 0.172,1346 15.273,1347 8.922,1348 12.989,1349 0.18,1350 0.097,1351 14.196,1352 6.969,1353 10.111,1354 0.11,1355 0.056,1356 11.488,1357 5.196,1358 7.995,1359 0.068,1360 0.03,1361 9.164,1362 3.452,1363 0.285,1364 106.633,1365 0.207,1366 30.621,1367 0.49,1368 176,1369 568.317,1370 232.518,1371 593.029,1372 791.73,1373 552,1374 212,1375 532.955,1376 265.551,1377 565.504,1378 835.87,1379 531,1380 8.602}
{0 CHEMBL1796761,1 1.739,2 13.647,3 3.929,4 15.434,5 134.486,6 8.587,7 0.459,8 4.16,9 4.258,10 3.878,11 3.757,12 5.314,13 3.722,14 4.691,15 4.852,16 4.296,17 4.165,18 5.824,19 4.114,20 4.905,21 5.032,22 4.512,23 4.358,24 6.151,25 4.304,26 5.066,27 5.22,28 4.505,29 4.411,30 6.307,31 4.323,32 4.991,33 5.148,34 4.375,35 4.358,36 6.214,37 4.233,38 4.963,39 5.185,40 4.291,41 4.236,42 5.998,43 4.1,44 4.813,45 4.986,46 4.188,47 4.083,48 6.029,49 4.002,50 4.73,51 4.909,52 4.055,53 4.042,54 5.971,55 3.963,56 0.074,57 0.812,58 9.788,59 5.368,60 9.097,61 6.247,62 0.447,63 1.333,64 22.526,65 9.088,66 29.696,67 10.7,68 0.362,69 1.567,70 29.232,71 12.262,72 36.177,73 13.771,74 0.715,75 1.776,76 40.096,77 14.737,78 104.327,79 15.383,80 0.737,81 1.653,82 43.473,83 15.03,84 82.249,85 16.787,86 0.503,87 1.587,88 39.849,89 14.146,90 61.059,91 17.365,92 0.705,93 1.341,94 38.095,95 11.131,96 74.279,97 12.468,98 0.568,99 1.31,100 24.865,101 9.386,102 79.369,103 10.918,104 73,105 54,106 0.281,107 0.592,108 0.724,109 0.848,110 0.861,111 0.861,112 3.561,113 0.958,114 -4.03,115 -3.98,116 -3.77,119 43.1,121 1,124 4,125 1,142 7,143 4,144 3,152 2,158 3,172 9,174 2,175 7,178 1,180 1,183 12,187 16,192 2,195 10,199 10,204 1,207 8,211 1,212 10,215 1,217 1,220 8,223 2,224 3,232 8,236 2,237 7,242 3,245 7,249 2,250 3,255 1,258 8,263 5,271 7,275 2056,276 22.438,277 22.438,278 22.438,279 22.438,280 22.438,281 20.205,282 24.946,283 12.669,284 23.059,285 18.075,286 18.075,287 18.075,288 18.075,289 18.075,290 14.256,291 23.776,292 5.839,293 19.012,294 4.119,295 2.199,296 1.382,297 0.617,298 0.535,299 0.535,300 4.249,301 1,305 1,306 984,307 4.528,310 64.863,311 195.816,312 90.443,315 132.334,316 149.841,318 2.118,319 42.763,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.833,331 464,332 4.573,333 3.742,334 6.764,335 4.18,336 3.231,337 4.278,338 1.2,339 11.089,340 3.069,341 4.405,342 3.664,343 6.624,344 4.046,345 3.088,346 4.014,347 1.2,348 10.42,349 2.959,350 4.228,351 3.56,352 6.295,353 3.875,354 2.891,355 3.817,356 1.058,357 9.271,358 2.834,359 4.07,360 3.268,361 6.093,362 3.752,363 2.77,364 3.414,365 0.86,366 8.821,367 2.711,368 3.87,369 3.116,370 5.946,371 3.495,372 2.534,373 3.231,374 0.293,375 8.192,376 2.406,377 3.615,378 2.739,379 5.646,380 3.241,381 2.274,382 2.907,383 0.293,384 7.252,385 2.186,386 3.142,387 2.209,388 5.006,389 2.833,390 1.887,391 2.276,393 5.42,394 1.778,395 3.021,396 2.181,397 4.746,398 2.731,399 1.811,400 2.149,402 4.959,403 1.649,404 2.929,405 2.054,406 4.695,407 2.506,408 1.623,409 2.058,411 4.508,412 1.415,413 2.865,414 1.883,415 4.115,416 2.424,417 1.44,418 1.935,420 3.532,421 1.36,422 2.69,423 1.853,424 4.084,425 2.212,426 1.253,427 1.725,428 3.295,429 1.17,430 2.416,431 1.74,432 3.877,433 1.997,434 1.031,435 1.375,436 2.668,437 0.987,438 2.194,439 1.184,440 3.417,441 1.744,442 0.83,443 1.052,445 2.125,446 0.727,447 2.13,448 1.157,449 3.36,450 1.707,451 0.71,452 0.958,454 1.66,455 0.704,456 1.936,457 1.094,458 3.152,459 1.456,460 0.442,461 0.601,463 1.037,464 0.433,465 16.581,466 0.488,467 1.052,468 0.031,469 43.5,470 1.279,471 21.5,472 0.632,473 22,474 0.647,475 32.286,476 0.95,477 36.219,478 0.624,479 37.707,480 1.109,481 8.695,482 0.256,483 7.51,484 0.221,485 0.224,487 0.41,493 0.678,494 1.281,495 0.635,496 0.942,497 0.543,498 0.892,499 0.823,500 0.704,501 0.672,502 0.604,503 0.567,504 0.62,505 0.964,506 1.18,507 0.874,508 1.114,509 0.844,510 0.984,511 1.473,512 1.008,513 1.17,514 1.028,515 1.65,516 0.994,517 0.802,518 1.176,519 1.462,520 1.445,521 0.818,522 1.282,523 0.713,524 0.966,525 0.747,526 0.9,527 0.781,528 0.932,529 1.321,530 1.045,531 1.461,532 1.135,533 1.254,534 1.023,535 1.102,536 0.912,537 0.911,538 0.857,539 1.109,540 0.97,541 7.5,542 0.23,543 5.333,544 3.194,545 2.462,546 1.58,547 0.887,548 0.756,549 0.465,550 0.312,551 16177,552 50682,553 2.008,554 41.4,556 21,559 1,561 2,564 1.759,565 1.821,566 3.703,567 -0.334,573 100.873,574 1.739,575 3.659,576 4.476,577 5.241,578 5.323,579 5.323,580 3.187,581 4.771,582 5.055,583 3.874,584 2173.05,585 8.86,586 32905,591 339.763,592 1.549,593 4.986,594 0.203,595 0.007,596 0.099,597 0.051,598 0.042,599 0.032,600 0.02,601 0.018,602 0.012,603 0.009,604 0.492,605 0.33,606 0.88,607 1.122,608 182.391,609 -0.038,610 -0.159,611 0.04,612 -0.022,613 -0.051,614 -0.001,615 0.019,616 0.41,617 0.154,618 0.341,619 0.041,620 0.299,621 -0.026,622 -0.152,623 0.045,624 -0.099,625 0.029,626 -0.041,627 -0.263,628 0.009,629 -0.105,630 0.037,631 -0.244,632 -0.046,633 0.112,634 -0.172,635 -0.231,636 -0.302,637 0.041,638 -0.273,639 0.077,640 -0.018,641 0.228,642 0.106,643 0.013,644 0.104,645 -0.096,646 -0.051,647 -0.183,648 -0.099,649 -0.092,650 -0.059,651 -0.085,652 0.137,653 -0.09,654 0.055,655 0.011,656 -0.049,657 1.865,658 6.341,659 0.588,660 38.727,661 1.013,662 1.117,663 2.796,664 7.816,665 0.702,666 3.638,667 4.007,668 4.317,669 4.554,670 4.787,671 4.99,672 5.153,673 5.278,674 5.394,675 5.493,676 7.754,677 0.668,678 498.04,679 3.638,680 5.209,681 6.084,682 6.98,683 7.872,684 8.773,685 9.671,686 10.575,687 11.477,688 12.383,689 5.2,696 3,704 7,708 1,709 9,711 17,718 1,719 2,729 1,730 1,731 58,733 20,734 2,735 37,737 61,738 25,739 16,740 6,741 6,742 3,746 4,747 7,748 1,755 1,758 1,761 19,762 6,766 3,771 3,775 3,781 24,782 7,783 1,784 9,785 2,790 3,794 0.5,795 4,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 4,845 1,848 34,854 2,855 1,856 1,859 2,865 1,869 1,870 6.9,873 3,875 1,877 18.667,878 11.96,879 7.444,880 3.3,881 3.377,882 1.407,883 0.981,884 7.194,885 11.682,886 3.902,887 4.514,888 5.126,889 5.664,890 6.179,891 6.556,892 6.951,893 7.256,894 7.607,895 7.956,896 1,897 63,898 12.627,900 5.441,901 7.91,902 23.653,904 19.312,905 2.41,906 81.944,910 270.735,911 179.398,912 24.259,913 39.149,914 86.435,916 31.278,917 148.12,918 396.319,919 24.259,920 33.586,921 31.386,922 66.334,923 89.549,924 35.243,925 2.717,926 302.013,927 39.149,928 270.735,929 172.379,930 86.435,931 70.426,933 247.193,934 109.977,937 31.386,938 140.993,939 39.149,940 31.278,941 270.735,942 110.694,943 218.546,946 270.735,947 79.478,948 106.168,949 18.011,950 125.583,951 270.735,952 110.694,953 218.546,955 0.596,956 0.365,957 0.181,958 0.095,959 26,960 14,961 0.066,962 4,963 2,964 1.2,965 4.268,966 325.999,967 0.2,968 20,969 168.974,970 1,974 24.55,975 9.963,976 4.826,978 110.694,979 12.141,983 1.385,984 5.83,986 18.011,987 599.976,988 48.5,993 37.553,997 -0.546,999 58.734,1000 64.764,1001 0.297,1002 0.625,1003 0.764,1004 0.895,1005 0.909,1006 0.909,1007 5.172,1008 1.811,1009 6.107,1010 5.42,1011 4.691,1012 5.201,1013 2.349,1014 6.971,1015 4.598,1016 6.403,1017 1.623,1018 7.714,1019 4.959,1020 4.443,1021 5.139,1022 0.57,1023 7.974,1024 4.307,1025 7.732,1026 1.44,1027 9.417,1028 4.508,1029 6.351,1030 7.406,1031 2.457,1032 11.082,1033 6.186,1034 9.098,1035 1.253,1036 11.174,1037 3.532,1038 6.889,1039 8.135,1040 1.045,1041 12.86,1042 6.679,1043 10.493,1044 1.031,1045 12.964,1046 3.295,1047 8.299,1048 9.904,1049 2.64,1050 15.496,1051 8.062,1052 11.909,1053 0.83,1054 14.775,1055 2.668,1056 9.17,1057 10.98,1058 1.491,1059 17.592,1060 8.884,1061 13.34,1062 0.71,1063 16.601,1064 2.125,1065 10.402,1066 12.555,1067 2.857,1068 20.061,1069 10.083,1070 3.231,1071 0.442,1072 18.438,1073 1.66,1074 11.419,1075 13.798,1076 1.928,1077 22.303,1078 11.049,1079 3.088,1080 11.089,1081 20.284,1082 1.037,1083 12.585,1084 15.287,1085 3.101,1086 24.71,1087 12.178,1088 2.891,1089 10.42,1090 22.136,1091 4.278,1092 13.667,1093 16.615,1094 2.356,1095 27.02,1096 13.208,1097 2.77,1098 9.271,1099 23.995,1100 4.014,1101 14.812,1102 18.068,1103 3.364,1104 29.406,1105 14.311,1106 2.534,1107 8.821,1108 25.858,1109 3.817,1110 15.924,1111 19.441,1112 2.776,1113 31.751,1114 15.372,1115 2.274,1116 8.192,1117 27.725,1118 3.414,1119 17.064,1120 20.878,1121 3.645,1122 34.132,1123 16.466,1124 1.887,1125 7.252,1126 29.595,1127 3.231,1128 18.193,1129 22.277,1130 3.188,1131 36.496,1132 17.543,1133 15754,1134 28020,1135 23.698,1136 40.716,1137 57.172,1138 60.388,1139 60.073,1140 56.335,1141 56.046,1142 72.073,1143 9.808,1144 169.073,1145 53.177,1146 5.449,1147 5.742,1148 6.308,1149 5.332,1150 5.231,1151 7.278,1152 2.293,1153 18.524,1154 5.069,1155 22.378,1156 1.545,1157 1.632,1158 1.624,1159 1.523,1160 1.515,1161 1.948,1162 0.265,1163 4.57,1164 1.437,1165 4.068,1166 4.076,1167 4.293,1168 4.059,1169 7.432,1170 4.019,1171 3.947,1172 3.967,1173 4.03,1174 3.878,1175 7.427,1176 3.878,1177 3.789,1178 3.804,1179 3.839,1180 3.744,1181 7.426,1182 3.723,1183 3.595,1184 3.662,1185 3.562,1186 3.357,1187 4.916,1188 3.385,1189 3.475,1190 3.534,1191 3.434,1192 3.258,1193 4.855,1194 3.268,1195 3.394,1196 3.468,1197 3.318,1198 3.176,1199 4.46,1200 3.184,1201 3.281,1202 3.339,1203 3.256,1204 3.086,1205 4.325,1206 3.078,1207 2.98,1208 3.023,1209 3.193,1210 2.817,1211 4.307,1212 2.807,1213 0.124,1214 0.101,1215 0.183,1216 0.113,1217 0.087,1218 4.573,1219 0.116,1220 3.742,1221 0.032,1222 6.764,1223 0.3,1224 4.18,1225 0.083,1226 3.231,1227 4.278,1228 1.2,1229 11.089,1230 3.069,1231 1.918,1232 1.907,1233 1.985,1234 2.018,1235 1.168,1236 2.013,1237 1.914,1238 1.896,1239 1.984,1240 1.998,1241 1.122,1242 1.995,1243 1.667,1244 1.636,1245 1.842,1246 1.821,1247 1.093,1248 1.822,1249 1.54,1250 1.51,1251 1.771,1252 1.775,1253 0.839,1254 1.784,1255 1.451,1256 1.399,1257 1.677,1258 1.689,1259 0.734,1260 1.688,1261 1.389,1262 1.325,1263 1.636,1264 1.632,1265 0.69,1266 1.643,1267 1.189,1268 1.122,1269 1.417,1270 1.378,1271 0.574,1272 1.411,1273 1.128,1274 1.073,1275 1.416,1276 1.28,1277 0.506,1278 1.308,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.844,1285 8.837,1286 7.034,1287 10.504,1289 6.585,1290 6.436,1295 1.097,1296 2.616,1297 5.888,1300 2.96,1305 38.733,1306 100.873,1307 212.195,1308 259.582,1309 303.988,1310 308.743,1311 308.743,1312 81.104,1313 8.305,1314 78.95,1315 107.19,1316 24,1317 12.902,1318 4.392,1319 3.644,1320 57.071,1321 158,1322 162,1323 0.178,1324 244.636,1325 431.76,1326 588.671,1327 49973,1328 1.7,1329 24.568,1330 0.723,1331 0.613,1332 25.422,1333 20.842,1334 16.206,1335 0.438,1336 0.319,1337 10.556,1338 14.854,1339 10.052,1340 8.368,1341 16.903,1342 11.816,1343 15.005,1344 0.278,1345 0.177,1346 15.991,1347 9.543,1348 13.336,1349 0.18,1350 0.096,1351 14.542,1352 7.132,1353 10.283,1354 0.109,1355 0.056,1356 11.66,1357 5.302,1358 8.09,1359 0.068,1360 0.029,1361 9.25,1362 3.505,1363 0.282,1364 109.056,1365 0.205,1366 31.415,1367 0.481,1368 182,1369 579.629,1370 238.879,1371 604.485,1372 806.47,1373 562,1374 219,1375 543.659,1376 273.716,1377 579.179,1378 854.01,1379 541,1380 8.566}
{0 CHEMBL1796763,1 1.739,2 13,3 3.929,4 15.434,5 134.486,6 8.587,7 0.459,8 4.16,9 4.258,10 3.878,11 3.757,12 5.314,13 3.722,14 4.691,15 4.852,16 4.296,17 4.165,18 5.824,19 4.114,20 4.905,21 5.032,22 4.512,23 4.358,24 6.152,25 4.304,26 5.066,27 5.22,28 4.487,29 4.407,30 6.301,31 4.32,32 4.99,33 5.147,34 4.363,35 4.37,36 6.178,37 4.251,38 4.999,39 5.208,40 4.375,41 4.264,42 6.118,43 4.15,44 4.901,45 5.084,46 4.317,47 4.157,48 6.199,49 4.084,50 4.819,51 4.987,52 4.128,53 4.159,54 5.963,55 4.041,56 0.074,57 0.812,58 9.788,59 5.368,60 9.097,61 6.247,62 0.447,63 1.333,64 22.526,65 9.088,66 29.696,67 10.7,68 0.362,69 1.567,70 29.232,71 12.262,72 36.205,73 13.771,74 0.721,75 1.78,76 40.714,77 14.747,78 105.701,79 15.407,80 0.68,81 1.693,82 40.751,83 14.857,84 69.232,85 16.669,86 0.531,87 1.651,88 40.579,89 14.194,90 68.512,91 17.213,92 0.928,93 1.501,94 35.249,95 11.177,96 109.725,97 12.504,98 0.422,99 1.374,100 34.815,101 11.887,102 52.638,103 13.837,104 73,105 54,106 0.281,107 0.592,108 0.724,109 0.848,110 0.861,111 0.861,112 3.561,113 0.958,114 -4.03,115 -3.98,116 -3.77,119 43.1,121 1,124 4,125 1,142 7,143 4,144 3,152 2,158 3,172 9,174 2,175 7,178 1,180 1,183 12,187 16,192 2,195 10,199 10,204 1,207 8,211 3,212 8,215 1,217 1,220 8,224 5,232 8,236 4,237 7,242 3,245 7,250 7,255 1,258 8,263 3,271 7,275 2016,276 22.438,277 22.438,278 22.438,279 22.438,280 22.438,281 20.205,282 24.946,283 12.675,284 23.059,285 18.075,286 18.075,287 18.075,288 18.075,289 18.075,290 14.256,291 23.776,292 5.849,293 19.019,294 4.119,295 2.199,296 1.382,297 0.617,298 0.535,299 0.535,300 4.249,301 1,305 1,306 936,307 4.528,310 62.412,311 193.303,312 87.674,315 127.825,316 145.396,318 2,319 43.17,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.833,331 442,332 4.574,333 3.745,334 6.765,335 4.182,336 3.233,337 4.279,338 1.2,339 11.093,340 3.071,341 4.413,342 3.659,343 6.634,344 4.057,345 3.097,346 4.02,347 1.2,348 10.475,349 2.978,350 4.223,351 3.56,352 6.283,353 3.863,354 2.879,355 3.815,356 1.058,357 9.23,358 2.821,359 4.053,360 3.268,361 6.091,362 3.743,363 2.762,364 3.388,365 0.86,366 8.796,367 2.7,368 3.873,369 3.116,370 5.945,371 3.495,372 2.537,373 3.235,374 0.293,375 8.183,376 2.398,377 3.622,378 2.738,379 5.647,380 3.244,381 2.277,382 2.92,383 0.293,384 7.253,385 2.186,386 3.115,387 2.204,388 4.934,389 2.8,390 1.855,391 2.259,393 5.191,394 1.744,395 3.022,396 2.181,397 4.807,398 2.731,399 1.811,400 2.156,402 4.96,403 1.649,404 3.008,405 2.074,406 4.724,407 2.612,408 1.719,409 2.135,411 4.856,412 1.479,413 2.866,414 1.883,415 4.116,416 2.425,417 1.44,418 1.935,420 3.532,421 1.406,422 2.648,423 1.87,424 4.092,425 2.159,426 1.186,427 1.66,428 3.204,429 1.137,430 2.405,431 1.738,432 3.875,433 1.964,434 0.998,435 1.355,436 2.63,437 0.955,438 2.178,439 1.183,440 3.404,441 1.733,442 0.829,443 1.051,445 2.123,446 0.714,447 2.131,448 1.094,449 3.266,450 1.712,451 0.72,452 0.947,454 1.613,455 0.698,456 1.924,457 1.029,458 3.247,459 1.461,460 0.458,461 0.617,463 1.091,464 0.444,465 16.581,466 0.488,467 1.052,468 0.031,469 43.5,470 1.279,471 21.5,472 0.632,473 22,474 0.647,475 32.512,476 0.956,477 36.219,478 0.624,479 38.005,480 1.118,481 8.695,482 0.256,483 7.51,484 0.221,485 0.224,487 0.41,493 0.678,494 1.281,495 0.635,496 0.942,497 0.543,498 0.892,499 0.823,500 0.704,501 0.672,502 0.604,503 0.567,504 0.62,505 0.964,506 1.18,507 0.874,508 1.114,509 0.841,510 0.984,511 1.477,512 1.024,513 1.198,514 1.052,515 1.658,516 1.007,517 0.8,518 1.131,519 1.367,520 1.364,521 0.836,522 1.231,523 0.733,524 1.109,525 0.73,526 0.997,527 0.807,528 0.98,529 1.303,530 0.817,531 1.028,532 0.784,533 1.309,534 0.82,535 1.022,536 1.196,537 1.425,538 1.35,539 1.01,540 1.286,541 7.5,542 0.271,543 5.333,544 3.069,545 2.382,546 1.636,547 1.052,548 0.694,549 0.453,550 0.325,551 15697,552 49314,553 2.008,554 41.4,556 21,559 1,561 2,564 1.761,565 1.821,566 3.655,567 -0.334,573 100.873,574 1.739,575 3.659,576 4.476,577 5.241,578 5.323,579 5.323,580 3.139,581 4.852,582 5.057,583 3.811,584 2138.11,585 8.873,586 32023.1,591 339.763,592 1.549,593 4.986,594 0.203,595 0.008,596 0.099,597 0.049,598 0.041,599 0.031,600 0.022,601 0.015,602 0.011,603 0.009,604 0.488,605 0.33,606 0.88,607 1.122,608 181.464,609 -0.038,610 -0.159,611 0.04,612 -0.022,613 -0.051,614 -0.001,615 0.019,616 0.41,617 0.154,618 0.341,619 0.041,620 0.299,621 -0.026,622 -0.152,623 0.045,624 -0.099,625 0.032,626 -0.041,627 -0.267,628 -0.007,629 -0.133,630 0.013,631 -0.251,632 -0.059,633 0.085,634 -0.106,635 -0.227,636 -0.239,637 -0.001,638 -0.233,639 0.103,640 -0.148,641 0.223,642 -0.006,643 0.062,644 0.036,645 -0.022,646 0.22,647 0.023,648 0.189,649 0.018,650 0.107,651 -0.123,652 -0.221,653 -0.262,654 -0.307,655 -0.096,656 -0.289,657 1.89,658 6.409,659 0.588,660 36.228,661 1.013,662 1.117,663 2.796,664 7.816,665 0.702,666 3.638,667 4.007,668 4.317,669 4.554,670 4.804,671 5.004,672 5.153,673 5.257,674 5.403,675 5.513,676 7.477,677 0.668,678 498.04,679 3.638,680 5.209,681 6.084,682 6.98,683 7.874,684 8.775,685 9.675,686 10.579,687 11.482,688 12.389,689 5.2,696 3,704 7,708 1,709 9,711 17,718 1,719 2,729 1,730 1,731 58,733 20,734 2,735 37,737 61,738 25,739 16,740 6,741 6,742 3,746 4,747 7,748 1,755 1,758 1,761 19,762 6,766 3,771 3,775 3,781 24,782 7,783 1,784 9,785 2,790 3,794 0.5,795 4,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 4,845 1,848 34,854 2,855 1,856 1,859 2,865 1,869 1,870 6.9,873 3,875 1,877 18.667,878 11.96,879 7.444,880 3.3,881 3.409,882 1.41,883 0.981,884 7.194,885 11.714,886 3.902,887 4.514,888 5.126,889 5.664,890 6.188,891 6.565,892 6.937,893 7.243,894 7.616,895 7.971,896 0.889,897 63,898 12.632,900 5.447,901 7.91,902 23.653,904 19.312,905 2.41,906 81.944,910 270.735,911 179.398,912 24.259,913 39.149,914 86.435,916 31.278,917 148.12,918 396.319,919 24.259,920 33.586,921 31.386,922 66.334,923 89.549,924 35.243,925 2.717,926 302.013,927 39.149,928 270.735,929 172.379,930 86.435,931 70.426,933 247.193,934 109.977,937 31.386,938 140.993,939 39.149,940 31.278,941 270.735,942 110.694,943 218.546,946 270.735,947 79.478,948 106.168,949 18.011,950 125.583,951 270.735,952 110.694,953 218.546,955 0.596,956 0.364,957 0.18,958 0.097,959 26,960 14,961 0.066,962 4,963 2,964 1.2,965 4.235,966 328.489,967 0.2,968 20,969 170.974,970 1,974 24.55,975 9.963,976 4.826,978 110.694,979 12.103,983 1.374,984 5.771,986 18.011,987 599.976,988 48.5,993 37.807,997 -0.584,999 58.734,1000 64.764,1001 0.297,1002 0.625,1003 0.764,1004 0.895,1005 0.909,1006 0.909,1007 5.172,1008 1.811,1009 6.107,1010 5.191,1011 4.691,1012 5.201,1013 2.349,1014 6.971,1015 4.598,1016 6.403,1017 1.719,1018 7.714,1019 4.96,1020 4.443,1021 5.139,1022 0.57,1023 7.974,1024 4.307,1025 7.732,1026 1.44,1027 9.417,1028 4.856,1029 6.351,1030 7.406,1031 2.457,1032 11.083,1033 6.186,1034 9.098,1035 1.186,1036 11.174,1037 3.532,1038 6.889,1039 8.135,1040 1.045,1041 12.862,1042 6.679,1043 10.493,1044 0.998,1045 12.964,1046 3.204,1047 8.299,1048 9.904,1049 2.64,1050 15.499,1051 8.063,1052 11.909,1053 0.829,1054 14.775,1055 2.63,1056 9.17,1057 10.98,1058 1.491,1059 17.598,1060 8.886,1061 13.34,1062 0.72,1063 16.601,1064 2.123,1065 10.402,1066 12.555,1067 2.857,1068 20.068,1069 10.087,1070 3.233,1071 0.458,1072 18.438,1073 1.613,1074 11.42,1075 13.798,1076 1.928,1077 22.313,1078 11.054,1079 3.097,1080 11.093,1081 20.284,1082 1.091,1083 12.587,1084 15.288,1085 3.101,1086 24.721,1087 12.185,1088 2.879,1089 10.475,1090 22.138,1091 4.279,1092 13.67,1093 16.617,1094 2.356,1095 27.034,1096 13.218,1097 2.762,1098 9.23,1099 23.996,1100 4.02,1101 14.815,1102 18.07,1103 3.364,1104 29.421,1105 14.322,1106 2.537,1107 8.796,1108 25.86,1109 3.815,1110 15.929,1111 19.444,1112 2.776,1113 31.769,1114 15.386,1115 2.277,1116 8.183,1117 27.727,1118 3.388,1119 17.07,1120 20.881,1121 3.645,1122 34.15,1123 16.481,1124 1.855,1125 7.253,1126 29.598,1127 3.235,1128 18.2,1129 22.28,1130 3.188,1131 36.516,1132 17.561,1133 15304,1134 27262,1135 23.698,1136 40.716,1137 57.115,1138 60.508,1139 60.092,1140 56.295,1141 56.02,1142 72.038,1143 9.808,1144 169.034,1145 53.162,1146 5.45,1147 5.745,1148 6.309,1149 5.334,1150 5.233,1151 7.279,1152 2.293,1153 18.515,1154 5.071,1155 22.223,1156 1.544,1157 1.635,1158 1.624,1159 1.521,1160 1.514,1161 1.947,1162 0.265,1163 4.568,1164 1.437,1165 4.068,1166 4.076,1167 4.293,1168 4.059,1169 7.432,1170 4.019,1171 3.947,1172 3.967,1173 4.028,1174 3.878,1175 7.427,1176 3.878,1177 3.788,1178 3.803,1179 3.839,1180 3.744,1181 7.425,1182 3.722,1183 3.587,1184 3.656,1185 3.581,1186 3.348,1187 4.92,1188 3.374,1189 3.481,1190 3.537,1191 3.435,1192 3.267,1193 4.856,1194 3.278,1195 3.397,1196 3.471,1197 3.309,1198 3.176,1199 4.46,1200 3.186,1201 3.282,1202 3.34,1203 3.256,1204 3.092,1205 4.317,1206 3.083,1207 3.012,1208 3.033,1209 3.181,1210 2.866,1211 4.305,1212 2.854,1213 0.124,1214 0.101,1215 0.183,1216 0.113,1217 0.087,1218 4.574,1219 0.116,1220 3.745,1221 0.032,1222 6.765,1223 0.3,1224 4.182,1225 0.083,1226 3.233,1227 4.279,1228 1.2,1229 11.093,1230 3.071,1231 1.919,1232 1.907,1233 1.985,1234 2.019,1235 1.168,1236 2.014,1237 1.914,1238 1.896,1239 1.984,1240 1.998,1241 1.123,1242 1.995,1243 1.667,1244 1.635,1245 1.841,1246 1.816,1247 1.093,1248 1.82,1249 1.532,1250 1.504,1251 1.768,1252 1.772,1253 0.835,1254 1.78,1255 1.458,1256 1.404,1257 1.677,1258 1.689,1259 0.736,1260 1.688,1261 1.391,1262 1.326,1263 1.641,1264 1.64,1265 0.69,1266 1.649,1267 1.19,1268 1.122,1269 1.417,1270 1.378,1271 0.574,1272 1.411,1273 1.128,1274 1.073,1275 1.416,1276 1.28,1277 0.506,1278 1.308,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.844,1285 8.837,1286 7.034,1287 10.504,1289 6.566,1290 6.384,1295 1.082,1296 2.615,1297 5.89,1300 2.937,1305 38.733,1306 100.873,1307 212.195,1308 259.582,1309 303.988,1310 308.743,1311 308.743,1312 81.658,1313 8.305,1314 78.95,1315 107.19,1316 24,1317 12.907,1318 4.392,1319 3.644,1320 56.935,1321 153,1322 162,1323 0.184,1324 244.636,1325 431.76,1326 588.671,1327 49973,1328 1.7,1329 24.568,1330 0.723,1331 0.613,1332 25.422,1333 20.842,1334 16.206,1335 0.438,1336 0.319,1337 10.556,1338 14.854,1339 10.052,1340 8.368,1341 16.903,1342 11.816,1343 15.005,1344 0.278,1345 0.177,1346 15.991,1347 9.543,1348 13.358,1349 0.181,1350 0.097,1351 14.591,1352 7.148,1353 10.164,1354 0.108,1355 0.056,1356 11.458,1357 5.23,1358 8.197,1359 0.068,1360 0.029,1361 9.337,1362 3.568,1363 0.289,1364 109.056,1365 0.205,1366 31.226,1367 0.503,1368 182,1369 579.629,1370 238.879,1371 604.485,1372 806.47,1373 562,1374 219,1375 543.659,1376 273.716,1377 579.178,1378 853.99,1379 541,1380 8.523}
{0 CHEMBL180022,1 1.64,2 15.75,3 5.095,4 25.957,5 155.746,6 8.074,7 0.535,8 4.323,9 4.436,10 3.953,11 3.866,12 5.504,13 3.856,14 4.823,15 4.99,16 4.287,17 4.211,18 5.95,19 4.188,20 5.034,21 5.207,22 4.416,23 4.356,24 6.189,25 4.313,26 5.116,27 5.33,28 4.384,29 4.375,30 6.215,31 4.307,32 5.087,33 5.277,34 4.401,35 4.408,36 6.257,37 4.343,38 5.11,39 5.304,40 4.487,41 4.433,42 6.295,43 4.382,44 5.143,45 5.327,46 4.498,47 4.435,48 6.404,49 4.376,50 5.1,51 5.3,52 4.403,53 4.344,54 6.311,55 4.271,56 0.063,57 0.996,58 12.243,59 5.847,60 13.293,61 7.294,62 0.342,63 1.527,64 24.666,65 9.35,66 31.741,67 11.878,68 0.569,69 1.813,70 33.334,71 11.829,72 56.824,73 14.934,74 0.594,75 1.909,76 38.801,77 13.573,78 68.673,79 17.944,80 0.671,81 1.869,82 38.318,83 13.487,84 71.405,85 17.429,86 0.482,87 1.956,88 36.057,89 13.018,90 59.248,91 17.037,92 0.673,93 1.965,94 39.088,95 13.007,96 100.549,97 16.255,98 0.668,99 1.79,100 42.208,101 13.335,102 93.345,103 17.149,104 54,105 58,106 0.254,107 0.623,108 0.82,109 0.883,110 0.883,111 0.883,112 3.717,113 0.905,114 -2.49,115 -2.52,116 -2.46,119 43.5,120 1,124 2,125 3,135 2,142 8,143 2,144 6,145 2,146 2,158 2,172 5,175 11,178 1,180 6,183 5,186 1,187 9,190 1,192 5,195 4,198 2,199 4,202 2,204 2,207 8,211 2,212 6,215 3,216 1,217 2,220 9,224 11,227 1,232 12,236 1,237 8,240 2,242 3,245 8,249 2,250 8,253 1,255 4,258 7,262 3,263 5,268 2,271 2,275 3800,276 27.101,277 27.101,278 27.101,279 27.101,280 27.101,281 23.885,282 36.005,283 16.333,284 27.862,285 21.167,286 21.167,287 21.167,288 21.167,289 21.167,290 16.155,291 48.297,292 7.659,293 22.361,294 4.469,295 2.092,296 0.815,297 0.41,298 0.41,299 0.41,300 4.412,301 1,305 1,306 1326,307 4.583,311 520.413,315 202.84,318 2.538,319 40.681,322 0.75,323 0.5,324 0.67,325 0.7,326 0.5,327 0.67,328 0.5,329 0.61,330 86.333,331 630,332 4.64,333 4.073,334 6.741,335 4.181,336 3.204,337 4.576,338 2.035,339 11.049,340 3.129,341 4.25,342 3.496,343 6.168,344 3.816,345 2.883,346 3.896,347 1.151,348 9.17,349 2.703,350 4.14,351 3.298,352 6.069,353 3.727,354 2.778,355 3.663,356 1.058,357 8.761,358 2.599,359 3.892,360 3.22,361 5.639,362 3.468,363 2.509,364 3.442,365 0.916,366 7.373,367 2.404,368 3.79,369 2.953,370 5.344,371 3.363,372 2.374,373 3.134,374 0.86,375 6.969,376 2.345,377 3.629,378 2.787,379 5.227,380 3.179,381 2.239,382 2.897,383 0.4,384 6.516,385 2.107,386 3.553,387 2.644,388 5.063,389 3.114,390 2.168,391 2.842,392 0.172,393 6.092,394 2.037,395 3.309,396 2.445,397 4.806,398 3.064,399 2.106,400 2.605,402 5.27,403 1.986,404 3.217,405 2.227,406 4.641,407 2.779,408 1.815,409 2.238,411 5.093,412 1.744,413 3.004,414 2.123,415 4.281,416 2.503,417 1.564,418 2.107,420 3.896,421 1.473,422 2.939,423 2.053,424 4.184,425 2.36,426 1.439,427 1.962,428 3.72,429 1.314,430 2.83,431 1.723,432 3.636,433 2.339,434 1.414,435 1.766,436 3.122,437 1.232,438 2.712,439 1.594,440 3.567,441 2.003,442 1.024,443 1.5,445 2.197,446 0.997,447 2.525,448 1.509,449 3.247,450 1.959,451 1,452 1.357,454 2.136,455 0.956,456 2.5,457 1.244,458 3.208,459 1.916,460 0.972,461 1.258,463 1.951,464 0.909,465 19.114,466 0.478,467 0.886,468 0.022,469 56,470 1.4,471 30,472 0.75,473 26,474 0.65,475 34.223,476 0.856,477 42.086,478 0.61,479 49.468,480 1.237,481 11.336,482 0.283,483 8.035,484 0.201,485 0.154,487 0.309,493 0.812,494 1.347,495 0.661,496 1.053,497 0.589,498 0.927,499 1.113,500 1.073,501 0.756,502 0.854,503 0.61,504 0.818,505 1.153,506 1.14,507 0.956,508 1.028,509 0.886,510 0.994,511 0.955,512 0.926,513 0.848,514 0.911,515 0.862,516 0.891,517 0.94,518 0.913,519 1.058,520 0.981,521 1.136,522 0.952,523 0.996,524 1.081,525 0.816,526 0.923,527 1.059,528 0.889,529 1.393,530 1.024,531 1.151,532 0.945,533 1.792,534 0.987,535 1.184,536 1.015,537 1.235,538 1.086,539 1.258,540 1.026,541 8,542 0.355,543 4,544 2.125,545 2.533,546 1.528,547 1.093,548 0.887,549 0.639,550 0.338,551 26029,552 75280,553 2.036,554 42,556 22,558 2,559 2,561 3,564 1.803,565 1.905,566 3.876,567 0.149,573 113.135,574 1.64,575 4.016,576 5.293,577 5.699,578 5.699,579 5.699,580 3.383,581 5.072,582 5.283,583 4.088,584 3188.76,585 9.348,586 56274.5,591 421.488,592 1.406,593 5.251,594 0.186,595 0.008,596 0.069,597 0.034,598 0.042,599 0.024,600 0.016,601 0.014,602 0.011,603 0.007,604 0.412,605 0.33,606 0.75,607 1.572,608 227.222,609 -0.049,610 -0.194,611 0.03,612 -0.081,613 -0.03,614 -0.017,615 -0.093,616 0.013,617 0.062,618 0.098,619 0.032,620 0.103,621 -0.029,622 -0.095,623 -0.031,624 -0.061,625 -0.027,626 -0.061,627 0.037,628 0.065,629 0.1,630 0.071,631 0.032,632 0.091,633 0.086,634 0.09,635 -0.032,636 0.024,637 -0.013,638 0.024,639 -0.027,640 -0.049,641 0.1,642 0.051,643 0.007,644 0.071,645 -0.166,646 0.017,647 -0.08,648 0.026,649 -0.18,650 -0.058,651 -0.001,652 -0.04,653 -0.028,654 -0.072,655 0.026,656 -0.049,657 1.964,658 5.613,659 0.55,660 59.85,661 1.008,662 1.124,663 1.264,664 1.598,665 0.687,666 3.784,667 4.078,668 4.317,669 4.575,670 4.852,671 4.977,672 5.13,673 5.313,674 5.447,675 5.485,676 8.962,677 0.658,678 557.1,679 3.784,680 5.313,681 6.146,682 7.013,683 7.871,684 8.749,685 9.621,686 10.505,687 11.386,688 12.276,689 8.7,692 1,696 1,697 1,698 1,699 2,703 2,704 10,705 2,709 8,711 23,713 1,724 1,729 2,730 1,731 69,733 26,734 2,735 43,737 72,738 30,739 20,740 7,741 5,742 3,746 4,747 5,748 1,752 1,760 1,761 23,762 6,766 2,771 1,773 2,775 1,781 29,782 9,783 2,784 10,785 1,790 6,794 0.75,795 3,805 2,812 4,816 1,826 1,831 2,836 1,840 3,844 3,845 1,848 40,854 3,855 2,856 2,859 1,861 1,866 1,868 1,869 1,870 4.3,873 1,875 2,877 21,878 13.443,879 9.056,880 4,881 4.651,882 1.551,883 0.969,884 10.068,885 13.085,886 4.086,887 4.659,888 5.242,889 5.83,890 6.444,891 6.803,892 7.251,893 7.731,894 8.173,895 8.415,896 0.909,897 62,898 14.727,900 6.097,901 7.811,902 27.684,904 21.684,905 2.311,906 92.444,910 317.82,911 203.989,912 103.776,913 39.149,914 47.145,917 203.989,918 404.113,919 103.776,920 25.618,921 29.301,922 94.762,923 103.565,924 125.206,926 294.278,927 39.149,928 317.82,929 307.766,930 47.145,931 39.149,933 282.506,934 82.458,937 113.317,938 141.925,939 91.672,941 317.82,942 150.921,943 243.138,946 317.82,947 48.912,948 141.6,949 52.623,950 150.924,951 317.82,952 150.921,953 243.138,955 0.567,956 0.321,957 0.174,958 0.101,959 24,960 12,961 0.153,962 11,963 1,964 1.091,965 4.906,966 386.957,967 0.091,968 22,969 208.877,974 29.007,975 13.884,976 7.791,977 1.217,978 150.921,979 17.568,980 8.696,984 4.116,986 36.022,987 711.879,988 58.5,993 12.613,995 3.245,997 -0.297,999 69.52,1000 77.544,1001 0.268,1002 0.657,1003 0.867,1004 0.933,1005 0.933,1006 0.933,1007 5.312,1008 2.106,1009 6.116,1010 6.092,1011 4.762,1012 5.347,1013 2.861,1014 6.897,1015 4.66,1016 6.52,1017 1.815,1018 7.654,1019 5.27,1020 4.29,1021 5.121,1022 0.325,1023 7.743,1024 4.141,1025 7.82,1026 1.564,1027 9.291,1028 5.093,1029 6.323,1030 7.555,1031 3.77,1032 10.836,1033 6.14,1034 9.155,1035 1.439,1036 10.989,1037 3.896,1038 6.661,1039 8.168,1040 0.393,1041 12.525,1042 6.432,1043 10.52,1044 1.414,1045 12.725,1046 3.72,1047 8.154,1048 10.068,1049 5.023,1050 15.143,1051 7.899,1052 11.909,1053 1.024,1054 14.489,1055 3.122,1056 8.885,1057 11.102,1058 0.384,1059 17.206,1060 8.59,1061 13.317,1062 1,1063 16.274,1064 2.197,1065 10.155,1066 12.772,1067 6.395,1068 19.662,1069 9.836,1070 3.204,1071 0.972,1072 18.076,1073 2.136,1074 11.087,1075 14.032,1076 0.351,1077 21.898,1078 10.735,1079 2.883,1080 11.049,1081 19.891,1082 1.951,1083 12.265,1084 15.601,1085 7.802,1086 24.3,1087 11.891,1088 2.778,1089 9.17,1090 21.717,1091 4.576,1092 13.299,1093 16.981,1094 0.312,1095 26.618,1096 12.899,1097 2.509,1098 8.761,1099 23.552,1100 3.896,1101 14.443,1102 18.508,1103 9.219,1104 29.006,1105 14.022,1106 2.374,1107 7.373,1108 25.396,1109 3.663,1110 15.529,1111 19.951,1112 0.273,1113 31.362,1114 15.087,1115 2.239,1116 6.969,1117 27.247,1118 3.442,1119 16.664,1120 21.464,1121 10.639,1122 33.749,1123 16.203,1124 2.168,1125 6.516,1126 29.103,1127 3.134,1128 17.778,1129 22.94,1130 0.236,1131 36.124,1132 17.297,1133 25305,1134 43287,1135 28.433,1136 47.392,1137 64.58,1138 67.325,1139 65.003,1140 62.683,1141 62.595,1142 83.308,1143 13.185,1144 174.359,1145 59.164,1146 5.473,1147 6.073,1148 6.543,1149 5.248,1150 5.204,1151 7.576,1152 4.069,1153 18.277,1154 5.129,1155 21.907,1156 1.502,1157 1.566,1158 1.512,1159 1.458,1160 1.456,1161 1.937,1162 0.307,1163 4.055,1164 1.376,1165 4.107,1166 4.132,1167 4.095,1168 4.025,1169 7.43,1170 4.036,1171 3.92,1172 3.945,1173 3.986,1174 3.835,1175 6.82,1176 3.837,1177 3.839,1178 3.874,1179 3.799,1180 3.747,1181 5.035,1182 3.749,1183 3.752,1184 3.809,1185 3.675,1186 3.594,1187 4.96,1188 3.604,1189 3.61,1190 3.655,1191 3.546,1192 3.461,1193 4.872,1194 3.475,1195 3.479,1196 3.546,1197 3.349,1198 3.25,1199 4.609,1200 3.25,1201 3.388,1202 3.448,1203 3.326,1204 3.205,1205 4.422,1206 3.209,1207 3.247,1208 3.291,1209 3.244,1210 3.05,1211 4.416,1212 3.062,1213 0.108,1214 0.095,1215 0.157,1216 0.097,1217 0.075,1218 4.64,1219 0.106,1220 4.073,1221 0.047,1222 6.741,1223 0.257,1224 4.181,1225 0.073,1226 3.204,1227 4.576,1228 2.035,1229 11.049,1230 3.129,1231 2.044,1232 2.024,1233 2.09,1234 2.14,1235 1.241,1236 2.127,1237 1.875,1238 1.855,1239 1.973,1240 1.996,1241 1.067,1242 1.992,1243 1.818,1244 1.783,1245 1.919,1246 1.928,1247 1.046,1248 1.93,1249 1.702,1250 1.652,1251 1.902,1252 1.901,1253 1.001,1254 1.907,1255 1.553,1256 1.516,1257 1.799,1258 1.76,1259 0.936,1260 1.765,1261 1.438,1262 1.363,1263 1.673,1264 1.69,1265 0.709,1266 1.689,1267 1.371,1268 1.305,1269 1.558,1270 1.544,1271 0.638,1272 1.556,1273 1.193,1274 1.147,1275 1.448,1276 1.431,1277 0.601,1278 1.433,1279 4.466,1281 5.765,1283 7.258,1285 8.848,1287 10.495,1289 5.7,1290 6.517,1295 1.309,1296 6.183,1297 11.605,1300 1.948,1303 9.839,1304 2.187,1305 45.422,1306 113.135,1307 277.11,1308 365.224,1309 393.224,1310 393.224,1311 393.224,1312 86.834,1313 8.434,1314 112.4,1315 112.4,1316 24,1317 12.807,1318 4.755,1319 4.044,1320 73.126,1321 206,1322 248,1323 0.166,1324 286.144,1325 502.5,1326 689.95,1327 62043,1328 1.4,1329 28.485,1330 0.712,1331 0.58,1332 28.985,1333 23.197,1334 19.372,1335 0.451,1336 0.302,1337 12.423,1338 18.312,1339 12.009,1340 10.045,1341 19.66,1342 12.966,1343 17.013,1344 0.293,1345 0.162,1346 17.384,1347 9.398,1348 13.615,1349 0.184,1350 0.081,1351 13.969,1352 5.986,1353 11.259,1354 0.117,1355 0.042,1356 11.592,1357 4.067,1358 9.3,1359 0.073,1360 0.021,1361 9.503,1362 2.713,1363 0.264,1364 124.66,1365 0.188,1366 36.24,1367 0.444,1368 202,1369 636.656,1370 236.478,1371 646.965,1372 867.74,1373 604,1374 233,1375 606.662,1376 264.931,1377 627.993,1378 909.28,1379 587,1380 5}
{0 CHEMBL1808977,1 1.621,2 18.279,3 2.466,4 6.079,5 161.113,6 7.293,7 0.383,8 4.497,9 4.623,10 4.044,11 3.926,12 5.567,13 3.932,14 5.07,15 5.263,16 4.387,17 4.304,18 6.138,19 4.289,20 5.272,21 5.478,22 4.403,23 4.449,24 6.3,25 4.393,26 5.344,27 5.598,28 4.388,29 4.416,30 6.387,31 4.354,32 5.262,33 5.493,34 4.421,35 4.39,36 6.38,37 4.36,38 5.215,39 5.409,40 4.383,41 4.437,42 6.286,43 4.384,44 5.304,45 5.531,46 4.359,47 4.47,48 6.294,49 4.395,50 5.274,51 5.487,52 4.331,53 4.515,54 6.332,55 4.403,56 0.09,57 1.229,58 17.517,59 6.6,60 10.252,61 9.351,62 0.884,63 1.874,64 35.654,65 10.704,66 54.353,67 15.402,68 0.799,69 2.18,70 43.976,71 13.568,72 61.13,73 20.004,74 0.854,75 2.212,76 49.601,77 13.49,78 92.518,79 21.4,80 0.996,81 2.125,82 44.973,83 11.441,84 94.528,85 18.092,86 0.672,87 2.108,88 40.66,89 13.324,90 64.018,91 18.987,92 0.974,93 2.178,94 46.58,95 14.363,96 79.956,97 21.247,98 0.752,99 2.208,100 42.863,101 16.551,102 92.982,103 23.437,104 31,105 64,106 0.246,107 0.546,108 0.714,109 0.801,110 0.816,111 0.827,112 3.787,113 0.916,114 -3.69,115 -3.66,116 -3.48,119 37,121 1,124 3,125 8,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 6,178 2,179 1,180 4,183 8,186 3,187 8,192 4,195 4,198 3,199 17,204 6,211 5,212 11,217 4,224 12,227 4,229 2,232 5,236 4,237 4,245 10,249 4,250 4,253 7,258 10,263 5,266 1,271 4,275 4257,276 29.032,277 29.032,278 29.032,279 29.032,280 29.032,281 26.754,282 41.013,283 17.387,284 30.041,285 23.243,286 23.243,287 23.243,288 23.243,289 23.243,290 19.613,291 57.579,292 8.369,293 24.825,294 4.719,295 2.742,296 1.636,297 1.065,298 0.966,299 0.892,300 4.489,306 1701,307 4.637,310 141.186,311 669.808,318 3.004,319 46.549,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 95,331 786,332 4.371,333 3.678,334 6.332,335 3.958,336 3.031,337 4.035,338 1.656,339 9.707,340 2.909,341 4.254,342 3.562,343 6.313,344 3.935,345 2.947,346 3.799,347 1.2,348 9.392,349 2.839,350 4.05,351 3.233,352 6.022,353 3.697,354 2.746,355 3.58,356 0.86,357 8.657,358 2.589,359 3.885,360 3.027,361 5.58,362 3.574,363 2.626,364 3.207,365 0.86,366 7.666,367 2.491,368 3.725,369 2.827,370 5.545,371 3.514,372 2.596,373 3.024,374 0.86,375 7.559,376 2.363,377 3.67,378 2.617,379 5.343,380 3.367,381 2.409,382 2.856,383 0.8,384 6.948,385 2.303,386 3.424,387 2.57,388 5.066,389 3.166,390 2.235,391 2.602,392 0.8,393 6.126,394 2.08,395 3.317,396 2.52,397 5.036,398 3.073,399 2.15,400 2.404,401 0.293,402 5.834,403 1.979,404 3.238,405 2.352,406 4.653,407 2.933,408 1.978,409 2.31,410 0.247,411 5.079,412 1.874,413 3.036,414 2.267,415 4.589,416 2.735,417 1.77,418 2.102,420 4.824,421 1.697,422 2.924,423 2.135,424 4.43,425 2.629,426 1.737,427 2.001,428 4.412,429 1.537,430 2.741,431 1.86,432 4.198,433 2.273,434 1.347,435 1.82,436 3.704,437 1.241,438 2.5,439 1.806,440 3.571,441 2.003,442 1.136,443 1.5,445 2.619,446 1,447 2.5,448 1.496,449 3.494,450 2,451 1.042,452 1.5,454 2.506,455 1,456 2.326,457 1.277,458 3.417,459 2,460 1,461 1.195,463 2.275,464 0.977,465 19.867,466 0.462,467 1.009,468 0.023,469 53.25,470 1.238,471 23,472 0.535,473 30.25,474 0.703,475 40.088,476 0.932,477 48.533,478 0.599,479 48.288,480 1.123,481 10.783,482 0.251,483 10.052,484 0.234,485 0.109,487 0.312,493 0.851,494 1.713,495 0.793,496 1.35,497 0.624,498 1.096,499 1.069,500 0.881,501 0.931,502 0.844,503 0.636,504 0.855,505 1.092,506 1.239,507 1.06,508 1.133,509 0.935,510 1.098,511 0.969,512 1.084,513 0.868,514 0.913,515 1.238,516 0.868,517 1.162,518 0.937,519 0.975,520 0.784,521 1.422,522 0.811,523 1.116,524 1.165,525 1.117,526 1.185,527 1.117,528 1.156,529 1.008,530 0.949,531 1.018,532 0.933,533 1.099,534 0.969,535 0.434,536 1.08,537 1.034,538 1.342,539 0.445,540 1.318,541 9,542 0.216,543 4,544 2.472,545 1.844,546 1.528,547 1.002,548 0.541,549 0.366,550 0.422,551 37374,552 96535,553 2.086,554 46.9,556 34,559 2,562 2,564 1.813,565 1.969,566 4.086,567 0.184,573 131.29,574 1.621,575 3.598,576 4.704,577 5.275,578 5.374,579 5.448,580 3.523,581 4.804,582 5.395,583 4.353,584 3930.6,585 9.521,586 78194.3,591 513.528,592 1.338,593 5.365,594 0.191,595 0.005,596 0.063,597 0.039,598 0.03,599 0.024,600 0.016,601 0.009,602 0.006,603 0.009,604 0.392,605 0.33,606 0.63,607 1.118,608 254.727,609 -0.05,610 -0.409,611 0.073,612 -0.197,613 -0.037,614 -0.06,615 0.055,616 0.263,617 0.043,618 0.15,619 0.095,620 0.096,621 -0.074,622 -0.168,623 -0.096,624 -0.108,625 -0.032,626 -0.109,627 -0.027,628 -0.091,629 0.126,630 0.043,631 -0.023,632 0.105,633 -0.08,634 0.139,635 0.025,636 0.147,637 -0.087,638 0.123,639 -0.118,640 -0.052,641 -0.169,642 -0.14,643 -0.113,644 -0.162,645 -0.037,646 0.081,647 -0.047,648 0.081,649 -0.098,650 0.027,651 0.235,652 0.002,653 -0.131,654 -0.239,655 0.234,656 -0.26,657 2.07,658 5.664,659 0.674,660 68.837,661 1.009,662 1.139,663 2.462,664 6.06,665 0.639,666 3.871,667 4.174,668 4.394,669 4.625,670 4.828,671 4.913,672 5.106,673 5.231,674 5.333,675 5.46,676 10.756,677 0.613,678 590.76,679 3.871,680 5.407,681 6.236,682 7.096,683 7.941,684 8.804,685 9.657,686 10.524,687 11.382,688 12.25,689 9.9,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 81,733 20,734 2,735 47,737 85,738 30,739 15,740 4,741 8,742 1,746 5,747 5,751 1,755 2,758 2,761 17,762 13,766 2,771 2,775 2,781 38,782 13,783 2,784 13,790 8,794 1,795 5,801 1,811 1,812 4,836 1,839 2,840 5,844 3,848 43,854 9,855 2,856 3,858 1,859 3,870 6.2,873 2,874 2,875 1,877 21.833,878 15.283,879 9.444,880 4.733,881 3.422,882 1.399,883 0.961,884 10.649,885 12.006,886 4.078,887 4.59,888 5.077,889 5.599,890 6.126,891 6.378,892 6.793,893 7.132,894 7.394,895 7.751,896 0.917,897 63,898 15.958,900 6.694,901 7.74,902 30.442,904 24.419,905 2.24,906 96.333,910 423.76,911 159.804,912 95.751,914 83.29,917 159.804,918 507.049,919 95.751,920 25.189,921 68.473,922 75.81,923 127.351,924 31.461,925 10.561,926 423.76,928 423.76,929 255.555,930 83.29,933 402.545,934 84.832,935 22,937 77.882,938 124.989,939 50.357,941 423.76,942 179.041,943 159.804,946 423.76,947 58.805,948 110.372,949 36.022,950 133.646,951 423.76,952 179.041,953 159.804,955 0.577,956 0.322,957 0.168,958 0.091,959 28,960 13,961 0.118,962 10,964 1,965 5.364,966 418.914,968 29,969 219.329,974 30.948,975 14.796,976 8.768,978 179.041,979 14.063,980 13.838,984 3.756,986 36.022,987 762.604,988 58,993 25.297,997 -0.474,999 81.705,1000 92.261,1001 0.256,1002 0.567,1003 0.742,1004 0.832,1005 0.848,1006 0.859,1007 5.321,1008 2.15,1009 6.205,1010 6.126,1011 4.86,1012 5.278,1013 2.711,1014 6.959,1015 4.74,1016 6.483,1017 1.978,1018 7.728,1019 5.834,1020 4.369,1021 4.966,1022 1.494,1023 7.716,1024 4.207,1025 7.758,1026 1.77,1027 9.345,1028 5.079,1029 6.405,1030 7.326,1031 2.94,1032 10.781,1033 6.178,1034 9.062,1035 1.737,1036 11.018,1037 4.824,1038 6.711,1039 7.805,1040 2.464,1041 12.346,1042 6.45,1043 10.397,1044 1.347,1045 12.727,1046 4.412,1047 8.199,1048 9.668,1049 3.505,1050 14.908,1051 7.88,1052 11.753,1053 1.136,1054 14.46,1055 3.704,1056 8.879,1057 10.525,1058 3.475,1059 16.827,1060 8.528,1061 13.125,1062 1.042,1063 16.212,1064 2.619,1065 10.135,1066 12.166,1067 4.28,1068 19.198,1069 9.733,1070 3.031,1071 1,1072 17.977,1073 2.506,1074 11.006,1075 13.231,1076 4.501,1077 21.285,1078 10.572,1079 2.947,1080 9.707,1081 19.754,1082 2.275,1083 12.156,1084 14.755,1085 5.171,1086 23.579,1087 11.677,1088 2.746,1089 9.392,1090 21.539,1091 4.035,1092 13.127,1093 15.942,1094 5.524,1095 25.747,1096 12.614,1097 2.626,1098 8.657,1099 23.332,1100 3.799,1101 14.232,1102 17.4,1103 6.12,1104 28.011,1105 13.678,1106 2.596,1107 7.666,1108 25.131,1109 3.58,1110 15.255,1111 18.661,1112 6.542,1113 30.22,1114 14.666,1115 2.409,1116 7.559,1117 26.935,1118 3.207,1119 16.341,1120 20.082,1121 7.098,1122 32.474,1123 15.714,1124 2.235,1125 6.948,1126 28.744,1127 3.024,1128 17.392,1129 21.388,1130 7.557,1131 34.703,1132 16.729,1133 35343,1134 57072,1135 31.611,1136 51.739,1137 69.606,1138 71.987,1139 70.414,1140 69.421,1141 69.331,1142 84.564,1143 15.152,1144 192.304,1145 65.157,1146 5.371,1147 5.678,1148 6.134,1149 5.086,1150 5.031,1151 7.035,1152 2.912,1153 16.346,1154 4.909,1155 21.551,1156 1.481,1157 1.532,1158 1.498,1159 1.477,1160 1.475,1161 1.799,1162 0.322,1163 4.092,1164 1.386,1165 4.017,1166 4.057,1167 3.974,1168 3.904,1169 7.432,1170 3.912,1171 3.933,1172 3.966,1173 3.887,1174 3.847,1175 7.427,1176 3.85,1177 3.83,1178 3.873,1179 3.759,1180 3.635,1181 5.126,1182 3.659,1183 3.768,1184 3.812,1185 3.652,1186 3.561,1187 4.741,1188 3.577,1189 3.711,1190 3.79,1191 3.591,1192 3.493,1193 4.711,1194 3.505,1195 3.593,1196 3.647,1197 3.516,1198 3.356,1199 4.656,1200 3.392,1201 3.487,1202 3.56,1203 3.395,1204 3.228,1205 4.601,1206 3.258,1207 3.362,1208 3.418,1209 3.265,1210 3.085,1211 4.347,1212 3.124,1213 0.093,1214 0.078,1215 0.135,1216 0.084,1217 0.064,1218 4.371,1219 0.086,1220 3.678,1221 0.035,1222 6.332,1223 0.207,1224 3.958,1225 0.062,1226 3.031,1227 4.035,1228 1.656,1229 9.707,1230 2.909,1231 1.932,1232 1.904,1233 2.024,1234 2.066,1235 1.198,1236 2.048,1237 1.907,1238 1.881,1239 2.005,1240 2.027,1241 1.176,1242 2.019,1243 1.731,1244 1.675,1245 1.919,1246 1.955,1247 1.167,1248 1.948,1249 1.66,1250 1.581,1251 1.903,1252 1.901,1253 1.102,1254 1.908,1255 1.585,1256 1.538,1257 1.814,1258 1.813,1259 1.075,1260 1.801,1261 1.456,1262 1.399,1263 1.698,1264 1.706,1265 0.825,1266 1.702,1267 1.407,1268 1.328,1269 1.591,1270 1.671,1271 0.794,1272 1.667,1273 1.288,1274 1.241,1275 1.524,1276 1.599,1277 0.78,1278 1.582,1279 4.554,1281 5.861,1282 2.398,1283 7.344,1284 4.443,1285 8.906,1286 6.26,1287 10.511,1289 5.711,1295 5.918,1296 5.632,1297 16.929,1299 -0.094,1300 5.758,1305 49.647,1306 131.29,1307 291.412,1308 380.999,1309 427.263,1310 435.263,1311 441.263,1312 86.077,1313 8.584,1314 134.28,1315 134.28,1316 29,1317 12.797,1318 4.392,1319 3.585,1320 71.902,1321 283,1322 293,1323 0.121,1324 303.708,1325 535.97,1326 732.807,1327 79303,1329 30.183,1330 0.702,1331 0.576,1332 30.183,1333 24.785,1334 20.835,1335 0.443,1336 0.305,1337 14.041,1338 19.666,1339 13.696,1340 11.332,1341 20.835,1342 14.357,1343 18.823,1344 0.294,1345 0.167,1346 18.823,1347 10.708,1348 15.097,1349 0.189,1350 0.088,1351 15.097,1352 7.077,1353 12.222,1354 0.121,1355 0.045,1356 12.222,1357 4.551,1358 9.63,1359 0.078,1360 0.023,1361 9.63,1362 2.891,1363 0.2,1364 133.036,1365 0.178,1366 39.099,1367 0.309,1368 222,1369 711.214,1370 253.238,1371 665.932,1372 900.81,1373 626,1374 255,1375 649.557,1376 286.355,1377 652.722,1378 955.2,1379 609,1380 9.699}
{0 CHEMBL1808978,1 1.604,2 19.341,3 3.398,4 11.547,5 154.747,6 7.282,7 0.4,8 4.445,9 4.575,10 3.99,11 3.897,12 5.51,13 3.896,14 5.012,15 5.204,16 4.322,17 4.282,18 6.083,19 4.249,20 5.251,21 5.482,22 4.352,23 4.428,24 6.223,25 4.36,26 5.286,27 5.54,28 4.301,29 4.381,30 6.308,31 4.304,32 5.221,33 5.466,34 4.286,35 4.317,36 6.285,37 4.259,38 5.137,39 5.359,40 4.243,41 4.296,42 6.174,43 4.242,44 5.122,45 5.331,46 4.191,47 4.324,48 6.163,49 4.247,50 5.165,51 5.405,52 4.13,53 4.326,54 6.265,55 4.2,56 0.074,57 1.188,58 16.6,59 6.3,60 9.021,61 8.934,62 0.752,63 1.836,64 33.015,65 10.558,66 51.323,67 15.245,68 0.606,69 2.175,70 43.318,71 13.245,72 54.525,73 20.187,74 0.719,75 2.143,76 46.193,77 12.961,78 79.106,79 20.432,80 0.768,81 1.975,82 43.535,83 12.066,84 86.044,85 18.659,86 0.708,87 1.871,88 39.133,89 11.703,90 64.033,91 17.06,92 0.677,93 1.854,94 37.897,95 12.494,96 62.287,97 17.847,98 0.791,99 1.857,100 40.254,101 14.662,102 107.159,103 21.031,104 11,105 60,106 0.246,107 0.555,108 0.711,109 0.792,110 0.808,111 0.82,112 3.741,113 0.933,114 -4.21,115 -4.15,116 -3.92,119 37.7,121 3,124 1,125 8,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 10,174 7,175 5,178 3,179 1,180 5,183 9,186 1,187 7,190 1,192 6,195 4,198 3,199 13,204 8,211 3,212 11,217 6,224 10,227 3,228 1,229 3,232 4,236 2,237 5,245 10,249 3,250 3,253 7,254 1,258 13,263 2,266 1,271 10,275 3879,276 28.247,277 28.247,278 28.247,279 28.247,280 28.247,281 25.945,282 38.483,283 17.07,284 29.128,285 22.213,286 22.213,287 22.213,288 22.213,289 22.213,290 18.529,291 53.043,292 8.123,293 23.522,294 4.662,295 2.648,296 1.627,297 1.101,298 0.997,299 0.919,300 4.448,306 1730,307 4.062,311 820.386,318 3.211,319 41.3,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 90,331 793,332 4.367,333 3.568,334 6.31,335 3.953,336 3.023,337 4.034,338 1.656,339 9.69,340 2.84,341 4.196,342 3.55,343 6.03,344 3.833,345 2.835,346 3.774,347 1.058,348 8.657,349 2.826,350 4.043,351 3.199,352 6.022,353 3.689,354 2.738,355 3.577,356 0.86,357 8.596,358 2.581,359 3.851,360 2.871,361 5.559,362 3.548,363 2.59,364 3.16,365 0.86,366 7.597,367 2.47,368 3.692,369 2.831,370 5.341,371 3.445,372 2.516,373 3.005,374 0.8,375 6.969,376 2.337,377 3.549,378 2.683,379 5.33,380 3.338,381 2.39,382 2.793,383 0.8,384 6.92,385 2.274,386 3.516,387 2.558,388 5.246,389 3.164,390 2.249,391 2.551,392 0.247,393 6.606,394 2.039,395 3.332,396 2.385,397 4.662,398 2.892,399 1.9,400 2.512,402 5.06,403 1.865,404 2.945,405 2.271,406 4.443,407 2.647,408 1.759,409 2.031,411 4.435,412 1.576,413 2.869,414 1.895,415 4.215,416 2.592,417 1.616,418 1.924,420 3.904,421 1.551,422 2.742,423 1.68,424 4.174,425 2.395,426 1.415,427 1.818,428 3.687,429 1.38,430 2.537,431 1.608,432 3.647,433 2.27,434 1.335,435 1.526,436 3.14,437 1.24,438 2.5,439 1.387,440 3.491,441 2,442 1.051,443 1.5,445 2.596,446 1,447 2.5,448 1.277,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.201,457 1.256,458 3.414,459 1.984,460 1,461 1.176,463 2.275,464 0.983,465 19.033,466 0.464,467 0.776,468 0.019,469 51.5,470 1.256,471 23,472 0.561,473 28.5,474 0.695,475 36.713,476 0.895,477 45.767,478 0.594,479 43.658,480 1.065,481 10.17,482 0.248,483 9.898,484 0.241,485 0.061,487 0.278,493 0.847,494 1.622,495 0.802,496 1.274,497 0.589,498 1.058,499 0.91,500 0.996,501 0.951,502 0.959,503 0.564,504 0.965,505 0.95,506 1.165,507 0.962,508 1.039,509 0.831,510 1.002,511 0.952,512 1.076,513 0.964,514 0.988,515 1.05,516 0.965,517 1.115,518 1.017,519 0.931,520 0.898,521 1.357,522 0.876,523 1.26,524 0.935,525 1.058,526 0.949,527 1.144,528 0.96,529 1.147,530 1.059,531 1.127,532 1.098,533 1.245,534 1.112,535 0.488,536 0.936,537 0.941,538 1.172,539 0.808,540 1.16,541 7.5,542 0.19,543 3.556,544 1.938,545 1.64,546 1.486,547 0.808,548 0.486,549 0.307,550 0.352,551 35747,552 88178,553 2.12,554 46.8,555 2,556 27,559 3,561 4,564 1.798,565 2.033,566 4.178,567 0.789,573 123.544,574 1.604,575 3.619,576 4.64,577 5.166,578 5.27,579 5.348,580 3.647,581 4.919,582 5.326,583 4.409,584 3615.77,585 9.364,586 71336.6,591 482.543,592 1.182,593 5.311,594 0.167,595 0.005,596 0.059,597 0.032,598 0.029,599 0.027,600 0.015,601 0.01,602 0.007,603 0.009,604 0.359,605 0.33,606 0.63,607 0.537,608 241.752,609 -0.057,610 -0.328,611 0.064,612 -0.139,613 -0.013,614 -0.032,615 0.133,616 0.156,617 0.004,618 0.053,619 0.133,620 0.001,621 -0.065,622 -0.115,623 -0.001,624 -0.036,625 0.006,626 -0.011,627 -0.032,628 -0.063,629 0.022,630 -0.032,631 0.005,632 0.005,633 -0.044,634 -0.02,635 0.073,636 0.058,637 -0.047,638 0.087,639 -0.128,640 0.107,641 -0.067,642 0.035,643 -0.093,644 0.004,645 -0.094,646 -0.019,647 -0.163,648 -0.058,649 -0.145,650 -0.112,651 0.307,652 0.039,653 0.008,654 -0.114,655 0.244,656 -0.118,657 2.062,658 5.579,659 0.732,660 67.269,661 1.006,662 1.138,663 2.98,664 8.88,665 0.643,666 3.829,667 4.111,668 4.344,669 4.564,670 4.796,671 4.82,672 4.963,673 5.043,674 5.106,675 5.22,676 11.084,677 0.616,678 560.73,679 3.829,680 5.352,681 6.18,682 7.031,683 7.872,684 8.728,685 9.575,686 10.433,687 11.285,688 12.145,689 10.4,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 1,729 1,731 77,733 20,734 2,735 45,737 81,738 29,739 15,740 4,741 8,742 1,746 5,747 5,751 1,755 3,758 3,761 17,762 12,766 2,771 2,775 2,781 36,782 12,783 3,784 12,790 8,794 1,795 4,812 5,836 1,839 1,840 5,844 1,848 41,854 11,855 3,856 2,859 2,870 5.2,873 2,874 1,875 1,877 20.167,878 13.833,879 9.167,880 4.732,881 3.435,882 1.401,883 0.976,884 10.233,885 11.992,886 4.043,887 4.549,888 5.045,889 5.565,890 6.097,891 6.31,892 6.692,893 6.995,894 7.24,895 7.595,896 0.923,897 61,898 15.204,900 6.38,901 7.72,902 29.185,904 23.583,905 2.22,906 91,910 388.446,911 145.594,912 110.637,914 72.29,917 145.594,918 460.736,919 110.637,920 10.883,921 83.455,922 75.81,923 116.351,924 31.461,925 10.561,926 388.446,928 388.446,929 256.231,930 72.29,933 343.69,934 108.374,935 11,937 92.864,938 110.682,939 50.357,941 388.446,942 182.927,943 145.594,946 388.446,947 58.9,948 92.942,949 54.032,950 122.646,951 388.446,952 182.927,953 145.594,955 0.569,956 0.326,957 0.174,958 0.097,959 26,960 11,961 0.111,962 9,964 1,965 5.351,966 384.381,968 30,969 203.66,974 29.052,975 14.441,976 8.287,978 182.927,979 14.028,980 13.385,984 3.747,986 54.032,987 716.967,988 56,993 25.049,997 -0.515,999 77.494,1000 87.637,1001 0.256,1002 0.578,1003 0.74,1004 0.824,1005 0.841,1006 0.853,1007 5.27,1008 1.9,1009 6.129,1010 6.606,1011 4.796,1012 5.236,1013 2.559,1014 6.868,1015 4.692,1016 6.423,1017 1.759,1018 7.639,1019 5.06,1020 4.205,1021 4.879,1022 1.404,1023 7.591,1024 4.06,1025 7.693,1026 1.616,1027 9.243,1028 4.435,1029 6.323,1030 7.291,1031 2.822,1032 10.654,1033 6.121,1034 8.994,1035 1.415,1036 10.905,1037 3.904,1038 6.553,1039 7.746,1040 2.382,1041 12.199,1042 6.312,1043 10.327,1044 1.335,1045 12.603,1046 3.687,1047 8.097,1048 9.637,1049 3.421,1050 14.741,1051 7.807,1052 11.681,1053 1.051,1054 14.326,1055 3.14,1056 8.724,1057 10.481,1058 3.421,1059 16.643,1060 8.396,1061 13.052,1062 1,1063 16.067,1064 2.596,1065 10.008,1066 12.136,1067 4.226,1068 18.989,1069 9.636,1070 3.023,1071 1,1072 17.821,1073 2.275,1074 10.843,1075 13.193,1076 4.467,1077 21.062,1078 10.432,1079 2.835,1080 9.69,1081 19.586,1082 2.275,1083 12.005,1084 14.724,1085 5.139,1086 23.333,1087 11.553,1088 2.738,1089 8.657,1090 21.358,1091 4.034,1092 12.951,1093 15.906,1094 5.504,1095 25.489,1096 12.457,1097 2.59,1098 8.596,1099 23.138,1100 3.774,1101 14.057,1102 17.368,1103 6.102,1104 27.734,1105 13.523,1106 2.516,1107 7.597,1108 24.923,1109 3.577,1110 15.061,1111 18.626,1112 6.531,1113 29.933,1114 14.485,1115 2.39,1116 6.969,1117 26.712,1118 3.16,1119 16.145,1120 20.049,1121 7.088,1122 32.172,1123 15.526,1124 2.249,1125 6.92,1126 28.506,1127 3.005,1128 17.181,1129 21.352,1130 7.551,1131 34.394,1132 16.519,1133 33256,1134 52618,1135 30.8,1136 49.523,1137 65.951,1138 68.231,1139 66.895,1140 65.632,1141 65.718,1142 80.986,1143 12.563,1144 179.205,1145 62.335,1146 5.367,1147 5.568,1148 6.112,1149 5.056,1150 5.023,1151 7.034,1152 2.912,1153 16.167,1154 4.84,1155 15.703,1156 1.466,1157 1.516,1158 1.487,1159 1.458,1160 1.46,1161 1.8,1162 0.279,1163 3.982,1164 1.385,1165 4.012,1166 4.054,1167 3.968,1168 3.902,1169 7.432,1170 3.909,1171 3.93,1172 3.967,1173 3.882,1174 3.845,1175 7.428,1176 3.848,1177 3.851,1178 3.916,1179 3.747,1180 3.695,1181 5.13,1182 3.69,1183 3.808,1184 3.859,1185 3.714,1186 3.598,1187 4.742,1188 3.628,1189 3.624,1190 3.674,1191 3.543,1192 3.376,1193 4.702,1194 3.413,1195 3.548,1196 3.615,1197 3.455,1198 3.333,1199 4.62,1200 3.346,1201 3.401,1202 3.449,1203 3.308,1204 3.142,1205 4.445,1206 3.183,1207 3.221,1208 3.291,1209 3.08,1210 2.961,1211 4.351,1212 2.984,1213 0.097,1214 0.079,1215 0.14,1216 0.088,1217 0.067,1218 4.367,1219 0.09,1220 3.568,1221 0.037,1222 6.31,1223 0.215,1224 3.953,1225 0.063,1226 3.023,1227 4.034,1228 1.656,1229 9.69,1230 2.84,1231 1.932,1232 1.903,1233 2.062,1234 2.066,1235 1.413,1236 2.052,1237 1.905,1238 1.879,1239 2.022,1240 2.038,1241 1.198,1242 2.042,1243 1.83,1244 1.764,1245 2,1246 2.004,1247 1.111,1248 2.004,1249 1.729,1250 1.671,1251 1.918,1252 1.95,1253 1.096,1254 1.946,1255 1.512,1256 1.458,1257 1.76,1258 1.785,1259 1.034,1260 1.756,1261 1.495,1262 1.427,1263 1.64,1264 1.738,1265 0.825,1266 1.732,1267 1.277,1268 1.231,1269 1.513,1270 1.573,1271 0.825,1272 1.542,1273 1.159,1274 1.085,1275 1.513,1276 1.468,1277 0.6,1278 1.469,1279 4.511,1281 5.802,1283 7.286,1285 8.85,1287 10.455,1289 1.521,1295 10.068,1296 8.586,1297 10.711,1300 4.419,1305 47.406,1306 123.544,1307 278.672,1308 357.258,1309 397.788,1310 405.788,1311 411.788,1312 74.708,1313 8.557,1314 133.84,1315 133.84,1316 30,1317 12.697,1318 4.392,1319 3.585,1320 67.035,1321 277,1322 280,1323 0.114,1324 290.119,1325 509.88,1326 699.651,1327 85249,1329 28.443,1330 0.694,1331 0.567,1332 28.443,1333 23.266,1334 20.068,1335 0.446,1336 0.311,1337 13.723,1338 19.055,1339 13.494,1340 11.146,1341 20.068,1342 13.991,1343 17.45,1344 0.291,1345 0.166,1346 17.45,1347 9.937,1348 14.494,1349 0.191,1350 0.093,1351 14.494,1352 7.048,1353 11.805,1354 0.124,1355 0.05,1356 11.805,1357 4.785,1358 9.628,1359 0.08,1360 0.027,1361 9.628,1362 3.283,1363 0.19,1364 127.361,1365 0.18,1366 38.089,1367 0.284,1368 210,1369 650.166,1370 237.336,1371 614.303,1372 835.63,1373 578,1374 241,1375 607.032,1376 267.427,1377 609.562,1378 891.76,1379 572,1380 8.699}
{0 CHEMBL1808979,1 1.623,2 17.846,3 2.687,4 7.219,5 147.502,6 7.325,7 0.429,8 4.386,9 4.517,10 3.933,11 3.812,12 5.493,13 3.818,14 4.934,15 5.137,16 4.263,17 4.175,18 6.03,19 4.159,20 5.108,21 5.308,22 4.318,23 4.345,24 6.175,25 4.296,26 5.256,27 5.507,28 4.294,29 4.336,30 6.325,31 4.272,32 5.174,33 5.408,34 4.292,35 4.3,36 6.28,37 4.256,38 5.119,39 5.321,40 4.223,41 4.315,42 6.2,43 4.25,44 5.174,45 5.412,46 4.121,47 4.307,48 6.167,49 4.207,50 5.097,51 5.344,52 4.034,53 4.249,54 6.175,55 4.113,56 0.079,57 1.116,58 15.554,59 5.701,60 9.715,61 8.234,62 0.822,63 1.668,64 31.147,65 9.024,66 48.92,67 13.321,68 0.499,69 1.965,70 36.05,71 11.524,72 44.911,73 17.16,74 0.79,75 2.035,76 45.108,77 12.211,78 90.382,79 19.341,80 0.811,81 1.912,82 41.125,83 11.102,84 83.438,85 17.183,86 0.652,87 1.864,88 37.262,89 12.106,90 62.819,91 17.223,92 0.785,93 1.84,94 41.291,95 13.117,96 75.568,97 19.295,98 0.738,99 1.735,100 37.433,101 13.476,102 90.702,103 19.77,104 45,105 57,106 0.252,107 0.558,108 0.711,109 0.78,110 0.797,111 0.81,112 3.692,113 0.903,114 -3.82,115 -3.78,116 -3.59,119 37,124 4,125 6,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 4,183 8,186 2,187 8,192 4,195 4,198 3,199 15,204 6,211 3,212 11,217 4,224 10,227 4,229 2,232 4,236 2,237 3,245 8,249 4,250 2,253 7,258 8,263 2,266 1,271 4,275 3273,276 26.179,277 26.179,278 26.179,279 26.179,280 26.179,281 23.901,282 35.937,283 15.574,284 27.108,285 20.67,286 20.67,287 20.67,288 20.67,289 20.67,290 17.008,291 50.461,292 7.382,293 22.03,294 4.567,295 2.597,296 1.607,297 1.165,298 1.055,299 0.973,300 4.385,306 1479,307 4.583,311 610.945,318 2.892,319 39.666,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 86,331 696,332 4.367,333 3.678,334 6.332,335 3.953,336 3.023,337 4.034,338 1.656,339 9.69,340 2.909,341 4.254,342 3.562,343 6.31,344 3.935,345 2.947,346 3.799,347 1.2,348 9.392,349 2.837,350 4.046,351 3.199,352 6.022,353 3.695,354 2.745,355 3.577,356 0.86,357 8.657,358 2.586,359 3.885,360 2.871,361 5.573,362 3.574,363 2.619,364 3.207,365 0.86,366 7.637,367 2.49,368 3.717,369 2.683,370 5.358,371 3.38,372 2.432,373 3.024,374 0.8,375 6.991,376 2.31,377 3.557,378 2.613,379 5.254,380 3.196,381 2.283,382 2.796,383 0.8,384 6.621,385 2.09,386 3.386,387 2.555,388 5.046,389 3.136,390 2.214,391 2.588,392 0.293,393 5.839,394 2.024,395 3.243,396 2.386,397 4.655,398 2.945,399 1.985,400 2.314,401 0.247,402 5.083,403 1.892,404 3.037,405 2.271,406 4.59,407 2.738,408 1.782,409 2.103,411 4.827,412 1.698,413 2.941,414 2.135,415 4.441,416 2.644,417 1.742,418 2.022,420 4.426,421 1.551,422 2.743,423 1.859,424 4.198,425 2.273,426 1.342,427 1.821,428 3.703,429 1.243,430 2.5,431 1.608,432 3.571,433 2,434 1.051,435 1.5,436 2.597,437 1,438 2.5,439 1.277,440 3.491,441 2,442 1,443 1.5,445 2.275,446 1,447 2.326,448 1.256,449 3.414,450 1.952,451 1,452 1.177,454 2.275,455 0.946,456 2.201,457 1,458 3.414,459 1.936,460 1,461 1.159,463 2.197,464 0.922,465 18.033,466 0.462,467 0.941,468 0.024,469 50.25,470 1.288,471 23,472 0.59,473 27.25,474 0.699,475 33.501,476 0.859,477 43.767,478 0.6,479 44.643,480 1.145,481 10.41,482 0.267,483 8.407,484 0.216,485 0.148,487 0.316,493 0.849,494 1.745,495 0.796,496 1.347,497 0.616,498 1.096,499 0.999,500 0.804,501 0.889,502 0.738,503 0.597,504 0.779,505 0.984,506 1.321,507 1.019,508 1.194,509 0.911,510 1.122,511 1.024,512 1.054,513 0.934,514 0.935,515 1.271,516 0.909,517 1.177,518 0.961,519 0.968,520 0.852,521 1.375,522 0.854,523 1.181,524 1.086,525 1.166,526 1.179,527 1.118,528 1.175,529 1.021,530 0.985,531 1.041,532 1.017,533 1.127,534 1.04,535 0.332,536 0.971,537 0.941,538 1.23,539 0.427,540 1.216,541 8.5,542 0.207,543 4,544 2.25,545 1.969,546 1.535,547 0.829,548 0.483,549 0.381,550 0.361,551 28226,552 75509,553 2.037,554 46.6,556 32,559 2,564 1.787,565 1.902,566 4.07,567 0.213,573 118.501,574 1.623,575 3.593,576 4.583,577 5.025,578 5.135,579 5.217,580 3.538,581 4.926,582 5.255,583 4.296,584 3183.56,585 9.227,586 59180.6,591 451.857,592 1.42,593 5.213,594 0.202,595 0.006,596 0.07,597 0.038,598 0.035,599 0.027,600 0.016,601 0.01,602 0.009,603 0.011,604 0.425,605 0.33,606 0.75,607 1.313,608 225.226,609 -0.053,610 -0.443,611 0.067,612 -0.21,613 -0.043,614 -0.072,615 0.103,616 0.34,617 0.085,618 0.237,619 0.116,620 0.163,621 -0.085,622 -0.202,623 -0.085,624 -0.15,625 -0.027,626 -0.123,627 -0.05,628 -0.057,629 0.06,630 0.02,631 -0.048,632 0.059,633 -0.097,634 0.07,635 0.028,636 0.107,637 -0.078,638 0.102,639 -0.131,640 -0.01,641 -0.21,642 -0.142,643 -0.113,644 -0.185,645 -0.05,646 -0.017,647 -0.066,648 0.011,649 -0.111,650 -0.026,651 0.345,652 0.02,653 -0.007,654 -0.17,655 0.291,656 -0.166,657 2.068,658 5.578,659 0.615,660 58.533,661 1.008,662 1.14,663 2.586,664 6.689,665 0.641,666 3.761,667 4.06,668 4.277,669 4.489,670 4.727,671 4.771,672 4.92,673 4.99,674 5.043,675 5.142,676 10.287,677 0.615,678 534.69,679 3.761,680 5.293,681 6.12,682 6.978,683 7.823,684 8.685,685 9.537,686 10.402,687 11.259,688 12.125,689 11,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 73,733 20,734 2,735 42,737 76,738 27,739 15,740 4,741 8,742 1,746 4,747 4,751 1,761 17,762 10,766 2,771 2,775 2,781 34,782 12,783 2,784 12,790 8,794 1,795 4,812 4,836 1,839 1,840 4,844 4,848 39,854 6,855 2,856 2,859 3,870 5.5,873 2,874 1,875 1,877 20.5,878 14.283,879 8.694,880 4.094,881 3.412,882 1.414,883 0.953,884 9.926,885 11.659,886 3.989,887 4.516,888 5.019,889 5.542,890 6.084,891 6.308,892 6.698,893 7.001,894 7.238,895 7.581,896 0.917,897 59,898 14.415,900 5.943,901 7.782,902 27.299,904 21.38,905 2.282,906 89,910 376.675,911 158.968,912 95.751,914 72.29,917 158.968,918 448.965,919 95.751,920 36.072,921 56.753,922 75.81,923 116.351,924 31.461,925 10.561,926 376.675,928 376.675,929 254.719,930 72.29,933 379.003,934 61.29,935 11,937 66.163,938 135.872,939 50.357,941 376.675,942 168.041,943 158.968,946 376.675,947 47.085,948 121.255,949 36.022,950 122.646,951 376.675,952 168.041,953 158.968,955 0.576,956 0.324,957 0.167,958 0.096,959 24,960 12,961 0.118,962 9,964 1,965 4.992,966 358.733,968 24,969 192.131,974 28.551,975 13.559,976 8.02,978 168.041,979 13.989,980 13.363,984 3.73,986 36.022,987 703.684,988 53,993 25.127,997 -0.47,999 73.61,1000 83.222,1001 0.262,1002 0.581,1003 0.74,1004 0.812,1005 0.83,1006 0.843,1007 5.223,1008 1.985,1009 6.094,1010 5.839,1011 4.745,1012 5.204,1013 2.607,1014 6.853,1015 4.632,1016 6.398,1017 1.782,1018 7.624,1019 5.083,1020 4.29,1021 4.924,1022 1.494,1023 7.642,1024 4.133,1025 7.68,1026 1.742,1027 9.249,1028 4.827,1029 6.297,1030 7.285,1031 2.881,1032 10.694,1033 6.084,1034 8.992,1035 1.342,1036 10.929,1037 4.426,1038 6.621,1039 7.776,1040 2.464,1041 12.278,1042 6.373,1043 10.333,1044 1.051,1045 12.643,1046 3.703,1047 8.1,1048 9.645,1049 3.481,1050 14.839,1051 7.802,1052 11.695,1053 1,1054 14.383,1055 2.597,1056 8.792,1057 10.507,1058 3.475,1059 16.771,1060 8.462,1061 13.072,1062 1,1063 16.14,1064 2.275,1065 10.045,1066 12.153,1067 4.272,1068 19.145,1069 9.67,1070 3.023,1071 1,1072 17.91,1073 2.275,1074 10.925,1075 13.22,1076 4.501,1077 21.241,1078 10.518,1079 2.947,1080 9.69,1081 19.692,1082 2.197,1083 12.075,1084 14.746,1085 5.168,1086 23.538,1087 11.628,1088 2.745,1089 9.392,1090 21.482,1091 4.034,1092 13.053,1093 15.934,1094 5.524,1095 25.712,1096 12.572,1097 2.619,1098 8.657,1099 23.279,1100 3.799,1101 14.159,1102 17.394,1103 6.119,1104 27.978,1105 13.641,1106 2.432,1107 7.637,1108 25.082,1109 3.577,1110 15.187,1111 18.654,1112 6.542,1113 30.19,1114 14.633,1115 2.283,1116 6.991,1117 26.89,1118 3.207,1119 16.276,1120 20.076,1121 7.097,1122 32.445,1123 15.686,1124 2.214,1125 6.621,1126 28.702,1127 3.024,1128 17.33,1129 21.382,1130 7.557,1131 34.677,1132 16.704,1133 27173,1134 44714,1135 27.739,1136 46.762,1137 62.08,1138 64.378,1139 63.703,1140 61.775,1141 61.788,1142 77.04,1143 13.432,1144 171.691,1145 58.267,1146 5.367,1147 5.678,1148 6.134,1149 5.056,1150 5.023,1151 7.034,1152 2.912,1153 16.329,1154 4.909,1155 22.06,1156 1.478,1157 1.533,1158 1.517,1159 1.471,1160 1.471,1161 1.834,1162 0.32,1163 4.088,1164 1.387,1165 4.01,1166 4.05,1167 3.968,1168 3.901,1169 7.432,1170 3.909,1171 3.932,1172 3.966,1173 3.887,1174 3.846,1175 7.427,1176 3.849,1177 3.813,1178 3.864,1179 3.746,1180 3.6,1181 5.13,1182 3.631,1183 3.711,1184 3.79,1185 3.591,1186 3.493,1187 4.742,1188 3.505,1189 3.622,1190 3.672,1191 3.538,1192 3.375,1193 4.701,1194 3.412,1195 3.492,1196 3.563,1197 3.403,1198 3.231,1199 4.62,1200 3.262,1201 3.371,1202 3.428,1203 3.269,1204 3.093,1205 4.445,1206 3.131,1207 3.214,1208 3.286,1209 3.049,1210 2.941,1211 4.347,1212 2.939,1213 0.104,1214 0.088,1215 0.151,1216 0.094,1217 0.072,1218 4.367,1219 0.096,1220 3.678,1221 0.039,1222 6.332,1223 0.231,1224 3.953,1225 0.069,1226 3.023,1227 4.034,1228 1.656,1229 9.69,1230 2.909,1231 1.932,1232 1.904,1233 2.024,1234 2.066,1235 1.198,1236 2.048,1237 1.907,1238 1.881,1239 2.005,1240 2.027,1241 1.167,1242 2.019,1243 1.729,1244 1.672,1245 1.918,1246 1.955,1247 1.102,1248 1.948,1249 1.66,1250 1.581,1251 1.903,1252 1.901,1253 1.075,1254 1.908,1255 1.504,1256 1.455,1257 1.698,1258 1.78,1259 0.825,1260 1.739,1261 1.41,1262 1.331,1263 1.64,1264 1.696,1265 0.78,1266 1.696,1267 1.252,1268 1.197,1269 1.513,1270 1.557,1271 0.6,1272 1.532,1273 1.153,1274 1.073,1275 1.488,1276 1.464,1277 0.585,1278 1.461,1279 4.443,1281 5.746,1283 7.235,1285 8.803,1287 10.415,1289 7.224,1295 4.019,1296 5.592,1297 10.696,1300 5.73,1305 44.879,1306 118.501,1307 262.308,1308 334.573,1309 366.838,1310 374.838,1311 380.838,1312 78.216,1313 8.247,1314 125.05,1315 125.05,1316 24,1317 12.673,1318 4.392,1319 3.585,1320 71.039,1321 245,1322 241,1323 0.139,1324 278.328,1325 487.64,1326 670.88,1327 53757,1329 27.777,1330 0.712,1331 0.581,1332 27.777,1333 22.678,1334 18.817,1335 0.448,1336 0.301,1337 12.347,1338 17.756,1339 11.963,1340 9.995,1341 18.817,1342 12.636,1343 16.845,1344 0.296,1345 0.163,1346 16.845,1347 9.309,1348 13.533,1349 0.191,1350 0.086,1351 13.533,1352 6.1,1353 10.646,1354 0.121,1355 0.044,1356 10.646,1357 3.835,1358 8.835,1359 0.079,1360 0.024,1361 8.835,1362 2.653,1363 0.229,1364 120.229,1365 0.19,1366 36.281,1367 0.35,1368 198,1369 643.479,1370 225.031,1371 608.402,1372 821.27,1373 570,1374 227,1375 592.102,1376 253.926,1377 600.386,1378 872.6,1379 557,1380 9.398}
{0 CHEMBL1808980,1 1.641,2 17.789,3 2.481,4 6.155,5 142.606,6 7.438,7 0.439,8 4.349,9 4.479,10 3.906,11 3.778,12 5.468,13 3.788,14 4.889,15 5.085,16 4.232,17 4.138,18 6.015,19 4.123,20 5.072,21 5.278,22 4.267,23 4.288,24 6.138,25 4.241,26 5.174,27 5.426,28 4.239,29 4.258,30 6.252,31 4.2,32 5.087,33 5.318,34 4.226,35 4.203,36 6.224,37 4.168,38 5.011,39 5.212,40 4.184,41 4.203,42 6.119,43 4.162,44 5.027,45 5.224,46 4.096,47 4.237,48 6.101,49 4.161,50 5.076,51 5.324,52 4.011,53 4.226,54 6.163,55 4.087,56 0.101,57 1.076,58 14.629,59 5.416,60 10.302,61 7.709,62 0.792,63 1.603,64 29.195,65 8.743,66 50.732,67 12.655,68 0.554,69 1.872,70 34.807,71 10.855,72 49.604,73 16.182,74 0.749,75 1.895,76 41.288,77 11.043,78 79.927,79 17.592,80 0.792,81 1.746,82 37.52,83 9.978,84 84.054,85 15.327,86 0.677,87 1.673,88 33.448,89 10.357,90 61.216,91 14.634,92 0.713,93 1.691,94 33.798,95 11.233,96 66.774,97 15.804,98 0.729,99 1.688,100 36.569,101 13.431,102 92.082,103 19.606,104 34,105 55,106 0.257,107 0.579,108 0.726,109 0.779,110 0.797,111 0.811,112 3.667,113 0.897,114 -3.62,115 -3.59,116 -3.42,119 37.1,124 3,125 6,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 7,175 3,178 3,179 1,180 5,183 8,186 1,187 6,190 1,192 6,195 4,198 3,199 13,204 8,211 3,212 11,217 4,224 10,227 3,228 1,229 2,232 4,236 2,237 3,245 8,249 3,250 2,253 7,254 1,258 8,263 2,266 1,271 4,275 3112,276 25.679,277 25.679,278 25.679,279 25.679,280 25.679,281 23.376,282 35.321,283 15.418,284 26.559,285 20.213,286 20.213,287 20.213,288 20.213,289 20.213,290 16.529,291 49.508,292 7.324,293 21.503,294 4.489,295 2.425,296 1.489,297 1.147,298 1.032,299 0.947,300 4.362,306 1440,307 4.359,311 591.023,318 2.917,319 39.37,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 84,331 676,332 4.367,333 3.568,334 6.31,335 3.953,336 3.023,337 4.034,338 1.656,339 9.69,340 2.84,341 4.196,342 3.55,343 6.03,344 3.833,345 2.835,346 3.774,347 1.058,348 8.657,349 2.826,350 4.043,351 3.199,352 6.022,353 3.689,354 2.738,355 3.577,356 0.86,357 8.596,358 2.581,359 3.851,360 2.871,361 5.559,362 3.547,363 2.588,364 3.16,365 0.86,366 7.597,367 2.47,368 3.691,369 2.683,370 5.332,371 3.343,372 2.395,373 3.005,374 0.8,375 6.925,376 2.279,377 3.547,378 2.583,379 5.246,380 3.169,381 2.257,382 2.793,383 0.8,384 6.606,385 2.048,386 3.337,387 2.554,388 4.676,389 3.127,390 2.21,391 2.545,392 0.247,393 5.199,394 2.019,395 3.22,396 2.385,397 4.647,398 2.886,399 1.894,400 2.23,402 5.044,403 1.859,404 2.944,405 2.271,406 4.443,407 2.646,408 1.759,409 2.03,411 4.434,412 1.552,413 2.846,414 1.892,415 4.208,416 2.459,417 1.492,418 1.893,420 3.824,421 1.436,422 2.741,423 1.608,424 4.156,425 2.27,426 1.338,427 1.815,428 3.672,429 1.24,430 2.5,431 1.498,432 3.491,433 2,434 1.051,435 1.5,436 2.596,437 1,438 2.5,439 1.277,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.201,448 1.256,449 3.414,450 1.952,451 1,452 1.176,454 2.275,455 0.946,456 2.066,457 1,458 3.247,459 1.923,460 1,461 1,463 2.136,464 0.912,465 17.533,466 0.461,467 0.852,468 0.022,469 49.5,470 1.303,471 23,472 0.605,473 26.5,474 0.697,475 31.361,476 0.825,477 42.467,478 0.607,479 42.953,480 1.13,481 10.248,482 0.27,483 8.159,484 0.215,485 0.124,487 0.302,493 0.866,494 1.685,495 0.789,496 1.304,497 0.622,498 1.062,499 0.964,500 0.856,501 0.9,502 0.805,503 0.592,504 0.834,505 0.999,506 1.28,507 1.009,508 1.142,509 0.94,510 1.084,511 0.959,512 1.056,513 0.914,514 0.935,515 1.088,516 0.902,517 1.205,518 0.994,519 0.971,520 0.87,521 1.463,522 0.861,523 1.269,524 0.981,525 1.089,526 1.021,527 1.158,528 1.02,529 1.176,530 1.098,531 1.211,532 1.156,533 1.293,534 1.196,535 0.286,536 0.974,537 0.913,538 1.25,539 0.389,540 1.226,541 8,542 0.173,543 3.556,544 2,545 1.649,546 1.507,547 0.748,548 0.483,549 0.331,550 0.361,551 26597,552 72780,553 2.053,554 45.7,556 29,559 3,564 1.781,565 1.932,566 4.058,567 0.843,573 114.838,574 1.641,575 3.704,576 4.64,577 4.983,578 5.097,579 5.183,580 3.55,581 4.754,582 5.215,583 4.288,584 3014.38,585 9.15,586 55089.5,591 429.05,592 1.359,593 5.183,594 0.195,595 0.005,596 0.065,597 0.036,598 0.031,599 0.028,600 0.015,601 0.01,602 0.008,603 0.011,604 0.405,605 0.33,606 0.75,607 1.299,608 217.981,609 -0.073,610 -0.39,611 0.058,612 -0.178,613 -0.049,614 -0.053,615 0.112,616 0.286,617 0.058,618 0.181,619 0.123,620 0.111,621 -0.096,622 -0.186,623 -0.073,624 -0.115,625 -0.052,626 -0.094,627 -0.035,628 -0.053,629 0.075,630 0.014,631 -0.014,632 0.066,633 -0.101,634 0.029,635 0.028,636 0.084,637 -0.106,638 0.089,639 -0.149,640 0.085,641 -0.121,642 -0.009,643 -0.095,644 -0.051,645 -0.136,646 -0.047,647 -0.263,648 -0.101,649 -0.2,650 -0.194,651 0.368,652 -0.003,653 0.02,654 -0.181,655 0.317,656 -0.163,657 2.072,658 5.493,659 0.632,660 57.568,661 1.01,662 1.14,663 2.385,664 5.688,665 0.643,666 3.738,667 4.025,668 4.234,669 4.454,670 4.691,671 4.754,672 4.89,673 4.963,674 5.017,675 5.13,676 10.19,677 0.619,678 520.66,679 3.738,680 5.263,681 6.084,682 6.938,683 7.778,684 8.637,685 9.485,686 10.348,687 11.201,688 12.066,689 11.4,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 1,729 1,731 70,733 20,734 2,735 41,737 73,738 26,739 15,740 4,741 8,742 1,746 4,747 4,751 1,761 17,762 9,766 2,771 2,775 2,781 32,782 12,783 3,784 12,790 8,794 1,795 4,812 4,836 1,839 1,840 4,844 3,848 38,854 6,855 3,856 2,859 2,870 5.7,873 2,874 1,875 1,877 19.667,878 13.333,879 8.5,880 3.932,881 3.407,882 1.416,883 0.959,884 9.705,885 11.601,886 3.97,887 4.494,888 4.992,889 5.526,890 6.069,891 6.296,892 6.677,893 6.98,894 7.223,895 7.577,896 0.917,897 56,898 14.034,900 5.796,901 7.803,902 26.517,904 20.761,905 2.303,906 87.5,910 341.362,911 150.571,912 110.637,914 72.29,917 150.571,918 413.652,919 110.637,920 27.676,921 71.64,922 75.81,923 116.351,924 31.461,925 10.561,926 341.362,928 341.362,929 261.209,930 72.29,933 343.69,934 61.29,935 11,937 81.049,938 127.475,939 50.357,941 341.362,942 182.927,943 150.571,946 341.362,947 47.085,948 109.734,949 54.032,950 122.646,951 341.362,952 182.927,953 150.571,955 0.571,956 0.318,957 0.166,958 0.094,959 23,960 11,961 0.123,962 9,964 1,965 4.967,966 344.169,968 24,969 185.421,974 27.577,975 13.373,976 8.02,978 182.927,979 13.872,980 13.346,984 3.682,986 54.032,987 674.86,988 52,993 24.702,997 -0.562,999 70.727,1000 79.806,1001 0.268,1002 0.604,1003 0.757,1004 0.813,1005 0.832,1006 0.846,1007 5.196,1008 1.894,1009 6.047,1010 5.199,1011 4.71,1012 5.182,1013 2.559,1014 6.792,1015 4.6,1016 6.366,1017 1.759,1018 7.565,1019 5.044,1020 4.205,1021 4.879,1022 1.404,1023 7.545,1024 4.06,1025 7.644,1026 1.492,1027 9.176,1028 4.434,1029 6.244,1030 7.262,1031 2.822,1032 10.592,1033 6.038,1034 8.951,1035 1.338,1036 10.842,1037 3.824,1038 6.524,1039 7.737,1040 2.382,1041 12.15,1042 6.288,1043 10.289,1044 1.051,1045 12.544,1046 3.672,1047 8.025,1048 9.622,1049 3.421,1050 14.695,1051 7.736,1052 11.647,1053 1,1054 14.27,1055 2.596,1056 8.682,1057 10.474,1058 3.421,1059 16.606,1060 8.363,1061 13.021,1062 1,1063 16.014,1064 2.275,1065 9.945,1066 12.128,1067 4.226,1068 18.958,1069 9.579,1070 3.023,1071 1,1072 17.771,1073 2.275,1074 10.799,1075 13.189,1076 4.467,1077 21.037,1078 10.399,1079 2.835,1080 9.69,1081 19.539,1082 2.136,1083 11.951,1084 14.721,1085 5.139,1086 23.313,1087 11.508,1088 2.738,1089 8.657,1090 21.315,1091 4.034,1092 12.909,1093 15.904,1094 5.504,1095 25.473,1096 12.428,1097 2.588,1098 8.596,1099 23.097,1100 3.774,1101 14.012,1102 17.367,1103 6.102,1104 27.722,1105 13.489,1106 2.395,1107 7.597,1108 24.886,1109 3.577,1110 15.025,1111 18.625,1112 6.531,1113 29.924,1114 14.46,1115 2.257,1116 6.925,1117 26.679,1118 3.16,1119 16.108,1120 20.048,1121 7.088,1122 32.166,1123 15.501,1124 2.21,1125 6.606,1126 28.476,1127 3.005,1128 17.151,1129 21.352,1130 7.551,1131 34.389,1132 16.5,1133 25561,1134 42522,1135 27.334,1136 45,1137 60.33,1138 62.389,1139 61.567,1140 59.916,1141 60.002,1142 75.274,1143 12.563,1144 164.667,1145 56.672,1146 5.367,1147 5.568,1148 6.112,1149 5.056,1150 5.023,1151 7.034,1152 2.912,1153 16.167,1154 4.84,1155 19.936,1156 1.471,1157 1.522,1158 1.502,1159 1.461,1160 1.463,1161 1.836,1162 0.306,1163 4.016,1164 1.382,1165 4.008,1166 4.048,1167 3.966,1168 3.9,1169 7.432,1170 3.907,1171 3.928,1172 3.961,1173 3.881,1174 3.845,1175 7.428,1176 3.847,1177 3.812,1178 3.863,1179 3.745,1180 3.6,1181 5.13,1182 3.631,1183 3.692,1184 3.776,1185 3.562,1186 3.467,1187 4.742,1188 3.477,1189 3.622,1190 3.672,1191 3.537,1192 3.375,1193 4.702,1194 3.412,1195 3.464,1196 3.517,1197 3.397,1198 3.195,1199 4.62,1200 3.239,1201 3.326,1202 3.393,1203 3.222,1204 3.05,1205 4.445,1206 3.082,1207 3.212,1208 3.285,1209 3.047,1210 2.941,1211 4.349,1212 2.935,1213 0.107,1214 0.087,1215 0.154,1216 0.096,1217 0.074,1218 4.367,1219 0.098,1220 3.568,1221 0.04,1222 6.31,1223 0.236,1224 3.953,1225 0.069,1226 3.023,1227 4.034,1228 1.656,1229 9.69,1230 2.84,1231 1.932,1232 1.903,1233 2.023,1234 2.065,1235 1.198,1236 2.047,1237 1.904,1238 1.879,1239 2.002,1240 2.021,1241 1.139,1242 2.014,1243 1.729,1244 1.672,1245 1.918,1246 1.953,1247 1.102,1248 1.947,1249 1.642,1250 1.559,1251 1.894,1252 1.892,1253 1.075,1254 1.899,1255 1.504,1256 1.455,1257 1.64,1258 1.779,1259 0.825,1260 1.738,1261 1.345,1262 1.285,1263 1.618,1264 1.643,1265 0.727,1266 1.625,1267 1.233,1268 1.164,1269 1.513,1270 1.535,1271 0.6,1272 1.524,1273 1.153,1274 1.07,1275 1.488,1276 1.462,1277 0.479,1278 1.459,1279 4.419,1281 5.714,1283 7.194,1285 8.755,1287 10.361,1289 5.407,1295 3.924,1296 8.421,1297 10.685,1300 4.021,1305 43.352,1306 114.838,1307 259.301,1308 324.785,1309 348.785,1310 356.785,1311 362.785,1312 73.471,1313 8.194,1314 133.84,1315 133.84,1316 24,1317 12.615,1318 4.392,1319 3.585,1320 68.22,1321 235,1322 246,1323 0.138,1324 268.736,1325 470.34,1326 647.475,1327 50467,1329 26.907,1330 0.708,1331 0.572,1332 26.907,1333 21.731,1334 18.406,1335 0.449,1336 0.299,1337 11.976,1338 17.379,1339 11.661,1340 9.72,1341 18.406,1342 12.253,1343 16.34,1344 0.297,1345 0.161,1346 16.34,1347 8.838,1348 12.938,1349 0.19,1350 0.084,1351 12.938,1352 5.73,1353 10.449,1354 0.123,1355 0.043,1356 10.449,1357 3.667,1358 8.472,1359 0.078,1360 0.022,1361 8.472,1362 2.414,1363 0.229,1364 117.559,1365 0.191,1366 35.603,1367 0.349,1368 192,1369 632.166,1370 218.67,1371 597.438,1372 806.07,1373 560,1374 219,1375 580.328,1376 244.761,1377 586.63,1378 852.7,1379 546,1380 9.222}
{0 CHEMBL1808981,1 1.641,2 17.711,3 2.151,4 4.626,5 142.208,6 7.438,7 0.439,8 4.349,9 4.479,10 3.906,11 3.778,12 5.469,13 3.788,14 4.889,15 5.085,16 4.232,17 4.138,18 6.008,19 4.123,20 5.071,21 5.279,22 4.293,23 4.291,24 6.143,25 4.25,26 5.167,27 5.402,28 4.272,29 4.28,30 6.285,31 4.233,32 5.123,33 5.348,34 4.262,35 4.261,36 6.261,37 4.22,38 5.083,39 5.291,40 4.18,41 4.261,42 6.158,43 4.2,44 5.087,45 5.315,46 4.08,47 4.248,48 6.088,49 4.154,50 5.06,51 5.313,52 3.989,53 4.19,54 6.14,55 4.055,56 0.101,57 1.076,58 14.629,59 5.416,60 10.429,61 7.709,62 0.792,63 1.603,64 29.195,65 8.743,66 49.231,67 12.655,68 0.547,69 1.873,70 34.886,71 10.832,72 47.445,73 16.168,74 0.773,75 1.916,76 40.348,77 10.921,78 85.372,79 16.979,80 0.787,81 1.833,82 38.459,83 10.658,84 85.242,85 16.176,86 0.708,87 1.777,88 36.086,89 11.437,90 66.618,91 16.249,92 0.711,93 1.736,94 36.983,95 12.049,96 63.586,97 17.587,98 0.76,99 1.647,100 36.367,101 12.825,102 90.724,103 18.923,104 34,105 55,106 0.257,107 0.575,108 0.73,109 0.797,110 0.815,111 0.829,112 3.667,113 0.898,114 -3.62,115 -3.59,116 -3.42,119 37.1,124 3,125 6,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 4,183 8,186 1,187 8,190 1,192 4,195 4,198 3,199 15,204 6,211 2,212 10,215 1,217 5,224 8,227 4,229 4,232 4,236 2,237 1,242 2,245 8,249 4,250 2,253 7,258 8,263 2,267 1,271 4,275 3040,276 25.894,277 25.894,278 25.894,279 25.894,280 25.894,281 23.616,282 35.745,283 15.595,284 26.799,285 20.153,286 20.153,287 20.153,288 20.153,289 20.153,290 16.49,291 49.729,292 7.33,293 21.444,294 4.489,295 2.454,296 1.461,297 1.032,298 0.918,299 0.832,300 4.362,306 1434,307 4.359,311 590.229,318 2.846,319 40.283,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 84,331 673,332 4.367,333 3.678,334 6.331,335 3.953,336 3.023,337 4.034,338 1.656,339 9.69,340 2.908,341 4.254,342 3.562,343 6.31,344 3.934,345 2.946,346 3.799,347 1.2,348 9.39,349 2.837,350 4.046,351 3.199,352 6.022,353 3.694,354 2.744,355 3.577,356 0.86,357 8.657,358 2.586,359 3.884,360 2.871,361 5.572,362 3.573,363 2.617,364 3.207,365 0.86,366 7.637,367 2.49,368 3.716,369 2.683,370 5.358,371 3.377,372 2.428,373 3.024,374 0.8,375 6.989,376 2.308,377 3.556,378 2.573,379 5.254,380 3.181,381 2.271,382 2.796,383 0.4,384 6.62,385 2.06,386 3.376,387 2.387,388 5.028,389 3.014,390 2.056,391 2.585,392 0.293,393 5.745,394 1.951,395 3.128,396 2.272,397 4.632,398 2.797,399 1.817,400 2.252,401 0.247,402 4.933,403 1.77,404 2.942,405 2.254,406 4.441,407 2.645,408 1.753,409 2.024,411 4.427,412 1.552,413 2.744,414 1.876,415 4.198,416 2.36,417 1.415,418 1.822,420 3.704,421 1.332,422 2.573,423 1.637,424 3.723,425 2.27,426 1.339,427 1.536,428 2.831,429 1.24,430 2.5,431 1.608,432 3.491,433 2,434 1.051,435 1.5,436 2.596,437 1,438 2.5,439 1.277,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.201,448 1.256,449 3.414,450 1.952,451 1,452 1.176,454 2.275,455 0.946,456 2.118,457 1,458 3.247,459 1.923,460 1,461 1,463 2.136,464 0.912,465 17.533,466 0.461,467 0.797,468 0.021,469 49.5,470 1.303,471 23,472 0.605,473 26.5,474 0.697,475 31.591,476 0.831,477 42.467,478 0.607,479 43.29,480 1.139,481 10.261,482 0.27,483 8.2,484 0.216,485 0.124,487 0.302,493 0.866,494 1.685,495 0.789,496 1.304,497 0.62,498 1.062,499 0.964,500 0.856,501 0.9,502 0.805,503 0.619,504 0.834,505 0.982,506 1.247,507 0.948,508 1.093,509 0.897,510 1.02,511 1.101,512 1.085,513 0.995,514 0.966,515 1.354,516 0.947,517 1.166,518 1.021,519 0.997,520 0.924,521 1.394,522 0.916,523 1.194,524 1.017,525 1.141,526 1.096,527 1.131,528 1.111,529 0.951,530 1.057,531 1.068,532 1.101,533 0.928,534 1.113,535 0.328,536 0.932,537 0.912,538 1.192,539 0.42,540 1.181,541 7.5,542 0.207,543 3.778,544 2.25,545 1.889,546 1.479,547 0.747,548 0.42,549 0.368,550 0.325,551 26177,552 72060,553 2.053,554 45.7,556 29,559 3,564 1.781,565 1.932,566 4.054,567 0.843,573 114.838,574 1.641,575 3.676,576 4.668,577 5.097,578 5.211,579 5.297,580 3.527,581 4.88,582 5.217,583 4.259,584 2994.01,585 9.153,586 54257.7,591 429.05,592 1.359,593 5.183,594 0.183,595 0.006,596 0.069,597 0.039,598 0.034,599 0.027,600 0.015,601 0.009,602 0.009,603 0.01,604 0.401,605 0.33,606 0.75,607 1.299,608 217.436,609 -0.073,610 -0.39,611 0.058,612 -0.178,613 -0.047,614 -0.053,615 0.112,616 0.286,617 0.058,618 0.181,619 0.097,620 0.111,621 -0.078,622 -0.156,623 -0.008,624 -0.067,625 -0.011,626 -0.03,627 -0.095,628 -0.053,629 -0.01,630 -0.008,631 -0.085,632 0.011,633 -0.1,634 0.015,635 -0.011,636 0.046,637 -0.089,638 0.043,639 -0.141,640 0.034,641 -0.179,642 -0.076,643 -0.129,644 -0.128,645 -0.039,646 -0.062,647 -0.11,648 -0.06,649 -0.089,650 -0.094,651 0.356,652 0.035,653 0.033,654 -0.144,655 0.302,656 -0.131,657 2.07,658 5.516,659 0.632,660 55.474,661 1.01,662 1.14,663 2.385,664 5.688,665 0.643,666 3.738,667 4.025,668 4.263,669 4.477,670 4.71,671 4.754,672 4.905,673 4.977,674 5.03,675 5.118,676 10.014,677 0.619,678 520.66,679 3.738,680 5.263,681 6.094,682 6.95,683 7.798,684 8.66,685 9.515,686 10.38,687 11.239,688 12.106,689 11.4,691 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 70,733 20,734 2,735 41,737 73,738 26,739 15,740 4,741 8,742 1,746 4,747 4,751 1,761 17,762 9,766 2,771 2,775 2,781 32,782 12,783 3,784 12,790 8,794 1,795 4,812 4,835 1,839 1,840 4,844 3,848 38,854 6,855 3,856 2,859 2,870 5.7,873 2,874 1,875 1,877 19.667,878 13.333,879 8.611,880 3.969,881 3.407,882 1.416,883 0.959,884 9.705,885 11.601,886 3.97,887 4.494,888 5.012,889 5.538,890 6.08,891 6.303,892 6.695,893 6.997,894 7.233,895 7.572,896 0.917,897 58,898 14.039,900 5.801,901 7.803,902 26.517,904 20.766,905 2.303,906 87.5,910 341.362,911 150.571,912 110.637,914 72.29,917 150.571,918 413.652,919 110.637,920 27.676,921 56.753,922 93.821,923 116.351,924 28.337,925 10.561,926 341.362,928 341.362,929 261.209,930 72.29,933 343.69,934 61.29,935 11,937 81.049,938 127.475,939 50.357,941 341.362,942 182.927,943 150.571,946 341.362,947 47.085,948 109.734,949 54.032,950 122.646,951 341.362,952 182.927,953 150.571,955 0.568,956 0.33,957 0.173,958 0.098,959 23,960 11,961 0.123,962 9,964 1,965 4.926,966 347.02,968 24,969 187.421,974 27.577,975 13.373,976 7.545,978 182.927,979 13.944,980 13.351,984 3.716,986 54.032,987 674.86,988 52,993 24.978,997 -0.483,999 70.727,1000 79.806,1001 0.268,1002 0.6,1003 0.762,1004 0.832,1005 0.85,1006 0.864,1007 5.196,1008 1.817,1009 6.057,1010 5.745,1011 4.71,1012 5.182,1013 2.559,1014 6.819,1015 4.6,1016 6.366,1017 1.753,1018 7.586,1019 4.933,1020 4.205,1021 4.879,1022 1.404,1023 7.606,1024 4.06,1025 7.647,1026 1.415,1027 9.213,1028 4.427,1029 6.26,1030 7.271,1031 2.858,1032 10.675,1033 6.053,1034 8.961,1035 1.339,1036 10.896,1037 3.704,1038 6.567,1039 7.759,1040 2.438,1041 12.265,1042 6.33,1043 10.306,1044 1.051,1045 12.615,1046 2.831,1047 8.067,1048 9.638,1049 3.472,1050 14.831,1051 7.777,1052 11.671,1053 1,1054 14.358,1055 2.596,1056 8.757,1057 10.501,1058 3.469,1059 16.767,1060 8.437,1061 13.052,1062 1,1063 16.12,1064 2.275,1065 10.02,1066 12.15,1067 4.27,1068 19.141,1069 9.653,1070 3.023,1071 1,1072 17.894,1073 2.275,1074 10.902,1075 13.218,1076 4.499,1077 21.239,1078 10.503,1079 2.946,1080 9.69,1081 19.678,1082 2.136,1083 12.058,1084 14.745,1085 5.168,1086 23.536,1087 11.617,1088 2.744,1089 9.39,1090 21.471,1091 4.034,1092 13.038,1093 15.934,1094 5.523,1095 25.711,1096 12.563,1097 2.617,1098 8.657,1099 23.271,1100 3.799,1101 14.147,1102 17.393,1103 6.119,1104 27.977,1105 13.634,1106 2.428,1107 7.637,1108 25.075,1109 3.577,1110 15.176,1111 18.654,1112 6.542,1113 30.189,1114 14.627,1115 2.271,1116 6.989,1117 26.885,1118 3.207,1119 16.267,1120 20.076,1121 7.097,1122 32.444,1123 15.681,1124 2.056,1125 6.62,1126 28.698,1127 3.024,1128 17.322,1129 21.381,1130 7.557,1131 34.676,1132 16.7,1133 25167,1134 41979,1135 27.334,1136 45,1137 60.037,1138 62.381,1139 62.058,1140 59.653,1141 59.708,1142 74.96,1143 12.632,1144 165.142,1145 56.393,1146 5.367,1147 5.678,1148 6.195,1149 5.056,1150 5.023,1151 7.034,1152 2.912,1153 16.32,1154 4.908,1155 19.709,1156 1.464,1157 1.521,1158 1.514,1159 1.455,1160 1.456,1161 1.828,1162 0.308,1163 4.028,1164 1.375,1165 4.009,1166 4.049,1167 3.967,1168 3.901,1169 7.432,1170 3.909,1171 3.932,1172 3.965,1173 3.886,1174 3.846,1175 7.427,1176 3.849,1177 3.812,1178 3.863,1179 3.745,1180 3.6,1181 5.13,1182 3.631,1183 3.681,1184 3.759,1185 3.569,1186 3.459,1187 4.742,1188 3.472,1189 3.62,1190 3.67,1191 3.533,1192 3.374,1193 4.701,1194 3.411,1195 3.45,1196 3.516,1197 3.369,1198 3.182,1199 4.62,1200 3.22,1201 3.343,1202 3.414,1203 3.213,1204 3.061,1205 4.445,1206 3.089,1207 3.213,1208 3.285,1209 3.048,1210 2.941,1211 4.364,1212 2.935,1213 0.107,1214 0.09,1215 0.154,1216 0.096,1217 0.074,1218 4.367,1219 0.098,1220 3.678,1221 0.04,1222 6.331,1223 0.236,1224 3.953,1225 0.071,1226 3.023,1227 4.034,1228 1.656,1229 9.69,1230 2.908,1231 1.932,1232 1.904,1233 2.024,1234 2.066,1235 1.198,1236 2.048,1237 1.907,1238 1.881,1239 2.004,1240 2.026,1241 1.144,1242 2.018,1243 1.729,1244 1.672,1245 1.918,1246 1.953,1247 1.101,1248 1.947,1249 1.627,1250 1.548,1251 1.873,1252 1.874,1253 1.061,1254 1.88,1255 1.504,1256 1.455,1257 1.656,1258 1.778,1259 0.825,1260 1.738,1261 1.351,1262 1.278,1263 1.64,1264 1.654,1265 0.7,1266 1.653,1267 1.243,1268 1.176,1269 1.513,1270 1.551,1271 0.6,1272 1.53,1273 1.153,1274 1.071,1275 1.487,1276 1.463,1277 0.562,1278 1.46,1279 4.419,1281 5.714,1283 7.203,1285 8.775,1287 10.392,1289 5.112,1295 3.925,1296 8.595,1297 10.688,1300 3.675,1305 43.352,1306 114.838,1307 257.301,1308 326.785,1309 356.785,1310 364.785,1311 370.785,1312 74.641,1313 8.194,1314 133.84,1315 133.84,1316 24,1317 12.653,1318 4.392,1319 3.585,1320 68.196,1321 232,1322 252,1323 0.141,1324 268.736,1325 470.34,1326 647.475,1327 49897,1329 26.907,1330 0.708,1331 0.572,1332 26.907,1333 21.731,1334 18.461,1335 0.45,1336 0.299,1337 12.002,1338 17.43,1339 11.694,1340 9.744,1341 18.461,1342 12.279,1343 16.016,1344 0.291,1345 0.157,1346 16.016,1347 8.609,1348 13.347,1349 0.191,1350 0.084,1351 13.347,1352 5.914,1353 10.576,1354 0.122,1355 0.043,1356 10.576,1357 3.765,1358 8.665,1359 0.079,1360 0.023,1361 8.665,1362 2.526,1363 0.232,1364 117.916,1365 0.191,1366 35.489,1367 0.357,1368 192,1369 632.166,1370 218.67,1371 596.919,1372 807.53,1373 560,1374 221,1375 583.539,1376 247.093,1377 588.824,1378 858.75,1379 549,1380 9.097}
{0 CHEMBL1808982,1 1.637,2 17.795,3 2.505,4 6.277,5 145.533,6 7.502,7 0.419,8 4.375,9 4.501,10 3.949,11 3.818,12 5.469,13 3.828,14 4.937,15 5.128,16 4.297,17 4.201,18 6.032,19 4.188,20 5.145,21 5.353,22 4.345,23 4.371,24 6.178,25 4.323,26 5.236,27 5.478,28 4.297,29 4.343,30 6.314,31 4.28,32 5.155,33 5.388,34 4.274,35 4.275,36 6.27,37 4.232,38 5.041,39 5.237,40 4.204,41 4.261,42 6.122,43 4.21,44 5.072,45 5.287,46 4.1,47 4.264,48 6.08,49 4.174,50 5.072,51 5.326,52 4.009,53 4.2,54 6.139,55 4.067,56 0.092,57 1.112,58 14.665,59 5.628,60 9.064,61 7.854,62 0.801,63 1.715,64 30.092,65 9.142,66 47.226,67 13.086,68 0.585,69 2.034,70 37.211,71 11.793,72 46.258,73 17.34,74 0.774,75 2.042,76 43.333,77 12.446,78 84.855,79 18.937,80 0.834,81 1.865,82 40.286,83 11.35,84 90.085,85 16.906,86 0.659,87 1.769,88 33.738,89 11.047,90 58.504,91 15.308,92 0.678,93 1.762,94 35.588,95 12.038,96 58.329,97 17.149,98 0.76,99 1.684,100 36.813,101 13.042,102 90.178,103 19.203,104 18,105 59,106 0.255,107 0.562,108 0.706,109 0.774,110 0.791,111 0.805,112 3.692,113 0.898,114 -3.82,115 -3.78,116 -3.59,119 38,124 2,125 8,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 4,183 8,186 2,187 8,192 4,195 4,198 3,199 15,204 6,211 3,212 11,217 4,224 10,227 4,229 2,232 4,236 2,237 3,245 8,249 4,250 2,253 7,258 8,263 2,266 1,271 4,275 3203,276 26.626,277 26.626,278 26.626,279 26.626,280 26.626,281 24.348,282 37.055,283 15.766,284 27.558,285 21.18,286 21.18,287 21.18,288 21.18,289 21.18,290 17.525,291 52.961,292 7.479,293 22.56,294 4.512,295 2.54,296 1.613,297 1.176,298 1.064,299 0.979,300 4.398,306 1518,307 3.742,311 757.197,318 2.847,319 40.567,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 86,331 694,332 4.367,333 3.695,334 6.393,335 3.965,336 3.023,337 4.034,338 1.656,339 9.69,340 2.928,341 4.267,342 3.562,343 6.31,344 3.952,345 2.984,346 3.801,347 1.2,348 9.676,349 2.837,350 4.047,351 3.199,352 6.022,353 3.696,354 2.746,355 3.577,356 0.86,357 8.657,358 2.589,359 3.896,360 2.871,361 5.579,362 3.587,363 2.633,364 3.217,365 0.86,366 7.655,367 2.5,368 3.727,369 2.773,370 5.39,371 3.42,372 2.474,373 3.027,374 0.8,375 7.054,376 2.341,377 3.566,378 2.683,379 5.272,380 3.29,381 2.355,382 2.797,383 0.8,384 6.652,385 2.205,386 3.466,387 2.562,388 5.211,389 3.165,390 2.251,391 2.624,392 0.293,393 6.47,394 2.039,395 3.318,396 2.386,397 4.916,398 2.945,399 1.986,400 2.445,401 0.247,402 5.618,403 1.895,404 3.038,405 2.271,406 4.635,407 2.742,408 1.785,409 2.115,411 4.946,412 1.701,413 2.941,414 2.157,415 4.441,416 2.644,417 1.745,418 2.022,420 4.428,421 1.551,422 2.744,423 1.863,424 4.198,425 2.273,426 1.343,427 1.821,428 3.703,429 1.243,430 2.5,431 1.608,432 3.676,433 2,434 1.051,435 1.5,436 2.597,437 1,438 2.5,439 1.277,440 3.491,441 2,442 1,443 1.5,445 2.275,446 1,447 2.349,448 1.256,449 3.414,450 1.967,451 1,452 1.18,454 2.275,455 0.965,456 2.201,457 1.146,458 3.414,459 1.952,460 1,461 1.175,463 2.275,464 0.946,465 18.033,466 0.462,467 0.865,468 0.022,469 50.75,470 1.301,471 23,472 0.59,473 27.75,474 0.712,475 33.158,476 0.85,477 43.167,478 0.608,479 43.613,480 1.118,481 10.327,482 0.265,483 8.652,484 0.222,485 0.092,487 0.316,493 0.843,494 1.691,495 0.765,496 1.297,497 0.591,498 1.051,499 0.972,500 0.89,501 0.908,502 0.813,503 0.585,504 0.84,505 0.985,506 1.216,507 1.002,508 1.099,509 0.869,510 1.053,511 1.01,512 1.068,513 0.978,514 1.002,515 1.266,516 0.977,517 1.183,518 0.951,519 0.942,520 0.851,521 1.534,522 0.844,523 1.218,524 1.021,525 1.147,526 1.092,527 1.095,528 1.106,529 0.986,530 1.102,531 1.127,532 1.158,533 0.965,534 1.176,535 0.322,536 0.933,537 0.891,538 1.171,539 0.408,540 1.157,541 8,542 0.202,543 4,544 2.25,545 1.951,546 1.493,547 0.807,548 0.488,549 0.336,550 0.351,551 29825,552 78196,553 2.11,554 45.1,556 30,559 2,564 1.787,565 2,566 4.065,567 0.213,573 116.25,574 1.637,575 3.609,576 4.537,577 4.974,578 5.086,579 5.171,580 3.516,581 4.875,582 5.257,583 4.275,584 3167.63,585 9.226,586 58492.8,591 436.632,592 1.309,593 5.228,594 0.186,595 0.006,596 0.068,597 0.037,598 0.035,599 0.027,600 0.016,601 0.011,602 0.008,603 0.01,604 0.403,605 0.33,606 0.63,607 0.608,608 224.821,609 -0.06,610 -0.414,611 0.071,612 -0.187,613 -0.027,614 -0.055,615 0.097,616 0.258,617 0.042,618 0.164,619 0.107,620 0.095,621 -0.097,622 -0.129,623 -0.065,624 -0.085,625 -0.022,626 -0.07,627 -0.055,628 -0.066,629 0.007,630 -0.035,631 -0.049,632 -0.002,633 -0.084,634 0.041,635 0.06,636 0.114,637 -0.102,638 0.12,639 -0.152,640 0.052,641 -0.197,642 -0.073,643 -0.12,644 -0.133,645 -0.059,646 -0.088,647 -0.178,648 -0.115,649 -0.111,650 -0.163,651 0.367,652 0.02,653 0.062,654 -0.132,655 0.316,656 -0.108,657 2.058,658 5.727,659 0.769,660 56.6,661 1.01,662 1.138,663 2.586,664 6.689,665 0.648,666 3.784,667 4.094,668 4.344,669 4.575,670 4.828,671 4.868,672 5.004,673 5.081,674 5.142,675 5.252,676 10.167,677 0.625,678 532.67,679 3.784,680 5.323,681 6.163,682 7.027,683 7.881,684 8.748,685 9.608,686 10.477,687 11.339,688 12.208,689 11.3,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 71,733 20,734 2,735 43,737 75,738 27,739 15,740 4,741 8,742 1,746 5,747 5,751 1,761 17,762 10,766 2,771 2,775 2,781 32,782 12,783 2,784 12,790 8,794 1,795 4,812 5,836 1,839 1,840 5,844 2,848 39,854 8,855 2,856 2,859 3,870 5.6,873 2,874 1,875 1,877 19.5,878 13.283,879 8.611,880 4.144,881 3.437,882 1.404,883 0.978,884 8.763,885 11.951,886 4.007,887 4.538,888 5.051,889 5.576,890 6.115,891 6.339,892 6.727,893 7.035,894 7.281,895 7.625,896 0.917,897 61,898 14.447,900 6.098,901 7.756,902 27.518,904 22.201,905 2.256,906 88,910 353.133,911 146.386,912 95.751,914 72.29,917 146.386,918 425.423,919 95.751,920 19.279,921 60.965,922 75.81,923 116.351,924 31.461,925 10.561,926 353.133,928 353.133,929 242.137,930 72.29,933 355.461,934 61.29,935 11,937 70.374,938 119.079,939 50.357,941 353.133,942 168.041,943 146.386,946 353.133,947 51.297,948 104.462,949 36.022,950 122.646,951 353.133,952 168.041,953 146.386,955 0.578,956 0.334,957 0.177,958 0.101,959 27,960 12,961 0.08,962 6,964 1,965 5.068,966 369.485,968 30,969 188.131,974 27.125,975 12.6,976 6.953,978 168.041,979 14.129,980 13.376,984 3.812,986 36.022,987 667.56,988 54,993 25.297,997 -0.385,999 71.727,1000 80.806,1001 0.266,1002 0.587,1003 0.738,1004 0.809,1005 0.827,1006 0.841,1007 5.25,1008 1.986,1009 6.133,1010 6.47,1011 4.779,1012 5.226,1013 2.607,1014 6.903,1015 4.666,1016 6.42,1017 1.785,1018 7.666,1019 5.618,1020 4.29,1021 4.924,1022 1.494,1023 7.692,1024 4.133,1025 7.702,1026 1.745,1027 9.293,1028 4.946,1029 6.34,1030 7.301,1031 2.881,1032 10.757,1033 6.125,1034 9.014,1035 1.343,1036 10.975,1037 4.428,1038 6.648,1039 7.784,1040 2.464,1041 12.349,1042 6.395,1043 10.356,1044 1.051,1045 12.691,1046 3.703,1047 8.151,1048 9.657,1049 3.481,1050 14.916,1051 7.846,1052 11.718,1053 1,1054 14.433,1055 2.597,1056 8.836,1057 10.516,1058 3.475,1059 16.86,1060 8.497,1061 13.096,1062 1,1063 16.192,1064 2.275,1065 10.102,1066 12.161,1067 4.272,1068 19.239,1069 9.717,1070 3.023,1071 1,1072 17.965,1073 2.275,1074 10.98,1075 13.227,1076 4.501,1077 21.348,1078 10.561,1079 2.984,1080 9.69,1081 19.748,1082 2.275,1083 12.139,1084 14.752,1085 5.168,1086 23.654,1087 11.677,1088 2.746,1089 9.676,1090 21.541,1091 4.034,1092 13.117,1093 15.94,1094 5.524,1095 25.841,1096 12.621,1097 2.633,1098 8.657,1099 23.34,1100 3.801,1101 14.229,1102 17.399,1103 6.119,1104 28.118,1105 13.694,1106 2.474,1107 7.655,1108 25.146,1109 3.577,1110 15.258,1111 18.659,1112 6.542,1113 30.343,1114 14.688,1115 2.355,1116 7.054,1117 26.957,1118 3.217,1119 16.352,1120 20.08,1121 7.097,1122 32.609,1123 15.744,1124 2.251,1125 6.652,1126 28.773,1127 3.027,1128 17.409,1129 21.386,1130 7.557,1131 34.854,1132 16.766,1133 27750,1134 45187,1135 29.126,1136 46,1137 64.04,1138 66.158,1139 65.348,1140 63.583,1141 63.636,1142 78.899,1143 13.432,1144 178.595,1145 60.058,1146 5.367,1147 5.695,1148 6.195,1149 5.069,1150 5.023,1151 7.034,1152 2.912,1153 16.439,1154 4.928,1155 17.807,1156 1.489,1157 1.539,1158 1.52,1159 1.479,1160 1.48,1161 1.835,1162 0.312,1163 4.153,1164 1.397,1165 4.015,1166 4.056,1167 3.97,1168 3.904,1169 7.432,1170 3.912,1171 3.94,1172 3.979,1173 3.894,1174 3.849,1175 7.427,1176 3.852,1177 3.819,1178 3.877,1179 3.749,1180 3.61,1181 5.13,1182 3.635,1183 3.785,1184 3.845,1185 3.68,1186 3.588,1187 4.742,1188 3.605,1189 3.622,1190 3.671,1191 3.539,1192 3.375,1193 4.701,1194 3.412,1195 3.441,1196 3.483,1197 3.387,1198 3.172,1199 4.62,1200 3.221,1201 3.274,1202 3.344,1203 3.181,1204 3.006,1205 4.445,1206 3.039,1207 3.209,1208 3.283,1209 3.045,1210 2.941,1211 4.363,1212 2.928,1213 0.102,1214 0.086,1215 0.149,1216 0.092,1217 0.07,1218 4.367,1219 0.094,1220 3.695,1221 0.039,1222 6.393,1223 0.225,1224 3.965,1225 0.068,1226 3.023,1227 4.034,1228 1.656,1229 9.69,1230 2.928,1231 1.933,1232 1.905,1233 2.032,1234 2.068,1235 1.287,1236 2.055,1237 1.911,1238 1.884,1239 2.012,1240 2.049,1241 1.198,1242 2.036,1243 1.749,1244 1.678,1245 1.95,1246 1.97,1247 1.103,1248 1.962,1249 1.728,1250 1.67,1251 1.918,1252 1.935,1253 1.081,1254 1.939,1255 1.504,1256 1.455,1257 1.64,1258 1.778,1259 0.825,1260 1.738,1261 1.302,1262 1.256,1263 1.555,1264 1.601,1265 0.825,1266 1.567,1267 1.195,1268 1.119,1269 1.513,1270 1.497,1271 0.651,1272 1.506,1273 1.153,1274 1.064,1275 1.513,1276 1.456,1277 0.6,1278 1.454,1279 4.466,1281 5.778,1283 7.283,1285 8.868,1287 10.493,1289 3.573,1295 5.783,1296 5.618,1297 10.703,1300 6.094,1305 44.352,1306 116.25,1307 256.26,1308 322.103,1309 353.122,1310 361.122,1311 367.122,1312 69.135,1313 8.514,1314 125.05,1315 125.05,1316 30,1317 12.753,1318 4.392,1319 3.585,1320 62.056,1321 243,1322 241,1323 0.121,1324 270.935,1325 475.28,1326 652.841,1327 76703,1329 27.192,1330 0.697,1331 0.566,1332 27.192,1333 22.092,1334 18.979,1335 0.441,1336 0.299,1337 12.594,1338 17.933,1339 12.326,1340 10.175,1341 18.979,1342 12.874,1343 16.917,1344 0.287,1345 0.159,1346 16.917,1347 9.374,1348 14.24,1349 0.187,1350 0.088,1351 14.24,1352 6.661,1353 11.518,1354 0.12,1355 0.045,1356 11.518,1357 4.355,1358 9.605,1359 0.077,1360 0.025,1361 9.605,1362 3.053,1363 0.201,1364 121.03,1365 0.185,1366 36.258,1367 0.307,1368 204,1369 649.479,1370 231.697,1371 612.823,1372 833.59,1373 576,1374 237,1375 606.807,1376 264.62,1377 610.88,1378 894.99,1379 571,1380 8.921}
{0 CHEMBL1808983,1 1.621,2 17.35,3 2.552,4 6.513,5 149.295,6 7.388,7 0.409,8 4.411,9 4.539,10 3.968,11 3.861,12 5.498,13 3.865,14 4.974,15 5.163,16 4.342,17 4.254,18 6.066,19 4.236,20 5.215,21 5.424,22 4.388,23 4.432,24 6.248,25 4.379,26 5.337,27 5.598,28 4.34,29 4.415,30 6.366,31 4.342,32 5.202,33 5.424,34 4.333,35 4.355,36 6.336,37 4.304,38 5.169,39 5.383,40 4.241,41 4.336,42 6.243,43 4.274,44 5.104,45 5.313,46 4.141,47 4.333,48 6.099,49 4.235,50 5.17,51 5.438,52 4.022,53 4.265,54 6.195,55 4.114,56 0.087,57 1.149,58 15.652,59 5.977,60 10.238,61 8.397,62 0.752,63 1.79,64 31.389,65 9.954,66 50.754,67 14.295,68 0.592,69 2.186,70 40.264,71 12.408,72 51.265,73 18.599,74 0.872,75 2.206,76 49.356,77 13.589,78 93.724,79 21.23,80 0.723,81 1.986,82 41.439,83 12.564,84 87.235,85 18.499,86 0.832,87 1.909,88 40.334,89 12.537,90 87.355,91 17.605,92 0.574,93 1.872,94 36.121,95 12.86,96 49.318,97 18.408,98 0.791,99 1.809,100 41.343,101 14.455,102 97.649,103 21.538,104 27,105 62,106 0.25,107 0.568,108 0.722,109 0.787,110 0.804,111 0.816,112 3.717,113 0.904,114 -4.01,115 -3.97,116 -3.76,119 37.8,120 2,124 1,125 7,130 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 6,183 9,186 1,187 10,190 1,192 4,195 4,198 3,199 15,204 6,211 2,212 12,215 1,217 5,220 2,224 8,227 4,229 4,232 8,236 2,237 1,242 2,245 12,249 4,250 2,253 7,258 8,263 2,267 1,268 2,271 4,275 3364,276 26.919,277 26.919,278 26.919,279 26.919,280 26.919,281 24.641,282 40.025,283 15.778,284 27.791,285 21.686,286 21.686,287 21.686,288 21.686,289 21.686,290 18.03,291 63.782,292 7.472,293 22.993,294 4.589,295 2.529,296 1.534,297 1.112,298 1.004,299 0.922,300 4.42,306 1512,307 4.062,311 776.378,318 2.833,319 42.657,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 88,331 694,332 4.367,333 3.717,334 6.775,335 4.22,336 3.255,337 4.034,338 1.656,339 11.149,340 3.14,341 4.327,342 3.562,343 6.334,344 3.953,345 3.023,346 3.804,347 1.2,348 9.69,349 2.868,350 4.149,351 3.303,352 6.31,353 3.887,354 2.895,355 3.578,356 0.86,357 9.482,358 2.837,359 4.044,360 3.199,361 6.022,362 3.693,363 2.743,364 3.287,365 0.86,366 8.657,367 2.585,368 3.871,369 2.871,370 5.575,371 3.568,372 2.612,373 3.134,374 0.8,375 7.646,376 2.486,377 3.71,378 2.683,379 5.369,380 3.371,381 2.422,382 3.012,383 0.4,384 7.015,385 2.303,386 3.554,387 2.57,388 5.258,389 3.178,390 2.268,391 2.795,392 0.293,393 6.627,394 2.056,395 3.368,396 2.386,397 5.123,398 2.994,399 2.032,400 2.576,401 0.247,402 6.046,403 1.938,404 3.103,405 2.271,406 4.638,407 2.777,408 1.801,409 2.222,411 4.961,412 1.749,413 2.942,414 2.183,415 4.441,416 2.645,417 1.75,418 2.024,420 4.428,421 1.551,422 2.744,423 1.865,424 4.198,425 2.276,426 1.345,427 1.822,428 3.704,429 1.247,430 2.5,431 1.608,432 3.795,433 2.227,434 1.263,435 1.5,436 2.845,437 1.211,438 2.5,439 1.435,440 3.728,441 2,442 1.051,443 1.5,445 2.596,446 1,447 2.454,448 1.277,449 3.491,450 2,451 1,452 1.379,454 2.275,455 1,456 2.201,457 1.256,458 3.414,459 1.952,460 1,461 1.176,463 2.275,464 0.946,465 18.533,466 0.463,467 1.052,468 0.026,469 51,470 1.275,471 23,472 0.575,473 28,474 0.7,475 36.816,476 0.92,477 44.467,478 0.601,479 44.068,480 1.102,481 10.107,482 0.253,483 9.185,484 0.23,485 0.117,486 0.027,487 0.286,493 0.851,494 1.624,495 0.788,496 1.267,497 0.623,498 1.045,499 0.897,500 0.975,501 0.859,502 0.876,503 0.571,504 0.866,505 1.02,506 1.268,507 1.065,508 1.143,509 0.885,510 1.106,511 1.004,512 0.926,513 0.926,514 0.859,515 1.18,516 0.86,517 1.107,518 1.075,519 0.965,520 1.016,521 1.439,522 0.97,523 1.369,524 0.893,525 1.135,526 0.944,527 1.534,528 0.997,529 0.855,530 1.189,531 1.144,532 1.269,533 0.713,534 1.267,535 0.306,536 0.925,537 0.878,538 1.153,539 0.405,540 1.138,541 9.5,542 0.26,543 4.222,544 2.688,545 2.222,546 1.604,547 0.888,548 0.464,549 0.413,550 0.335,551 31594,552 81165,553 2.086,554 45.9,556 25,559 3,561 6,564 1.793,565 1.959,566 4.033,567 0.806,573 119.92,574 1.621,575 3.68,576 4.676,577 5.098,578 5.206,579 5.287,580 3.497,581 4.596,582 5.295,583 4.279,584 3337.81,585 9.3,586 62887,591 459.5,592 1.479,593 5.251,594 0.216,595 0.007,596 0.068,597 0.043,598 0.038,599 0.027,600 0.016,601 0.01,602 0.01,603 0.01,604 0.445,605 0.33,606 0.63,607 0.641,608 232.197,609 -0.064,610 -0.338,611 0.064,612 -0.144,613 -0.048,614 -0.033,615 0.145,616 0.175,617 0.09,618 0.129,619 0.13,620 0.092,621 -0.118,622 -0.161,623 -0.123,624 -0.137,625 -0.05,626 -0.13,627 -0.053,628 0.053,629 0.075,630 0.087,631 -0.027,632 0.11,633 -0.046,634 -0.056,635 0.016,636 -0.018,637 -0.039,638 0.01,639 -0.188,640 0.123,641 -0.145,642 0.058,643 -0.204,644 -0.025,645 -0.027,646 -0.137,647 -0.218,648 -0.2,649 -0.077,650 -0.239,651 0.361,652 0.005,653 0.08,654 -0.121,655 0.295,656 -0.088,657 2.063,658 5.899,659 0.75,660 57.81,661 1.008,662 1.138,663 2.785,664 7.754,665 0.645,666 3.807,667 4.143,668 4.369,669 4.615,670 4.86,671 4.898,672 5.03,673 5.106,674 5.187,675 5.273,676 10.297,677 0.62,678 546.7,679 3.807,680 5.361,681 6.201,682 7.079,683 7.932,684 8.812,685 9.671,686 10.551,687 11.413,688 12.293,689 10.8,691 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 74,733 20,734 2,735 44,737 78,738 28,739 15,740 4,741 8,742 1,746 5,747 5,751 1,752 2,756 1,761 17,762 11,763 1,766 2,771 2,775 2,781 34,782 12,783 3,784 12,790 8,794 1,795 4,812 5,835 1,839 1,840 5,844 3,848 40,854 7,855 3,856 2,859 2,860 1,870 5.4,873 2,874 1,875 1,877 20.417,878 14.083,879 8.694,880 4.307,881 3.442,882 1.401,883 0.964,884 8.69,885 12.032,886 4.025,887 4.57,888 5.064,889 5.591,890 6.129,891 6.347,892 6.737,893 7.044,894 7.301,895 7.637,896 1,897 63,898 14.828,900 6.293,901 7.756,902 28.228,904 22.957,905 2.256,906 90.25,910 364.904,911 153.535,912 110.637,914 72.29,917 153.535,918 437.194,919 110.637,920 28.533,921 58.859,922 93.821,923 116.351,924 28.337,925 10.561,926 364.904,928 364.904,929 264.172,930 72.29,933 296.605,934 131.916,935 11,937 100.805,938 110.682,939 50.357,941 364.904,942 182.927,943 153.535,946 364.904,947 49.191,948 110.592,949 54.032,950 122.646,951 364.904,952 182.927,953 153.535,955 0.585,956 0.332,957 0.176,958 0.1,959 29,960 13,961 0.077,962 6,964 1,965 5.084,966 384.838,968 30,969 198.877,974 28.088,975 12.376,976 7.204,978 182.927,979 14.113,980 13.383,984 3.778,986 54.032,987 701.366,988 55,993 25.507,997 -0.411,999 74.61,1000 84.222,1001 0.261,1002 0.593,1003 0.753,1004 0.821,1005 0.838,1006 0.851,1007 5.286,1008 2.032,1009 6.205,1010 6.627,1011 4.828,1012 5.257,1013 2.559,1014 7.013,1015 4.725,1016 6.478,1017 1.801,1018 7.765,1019 6.046,1020 4.511,1021 5.047,1022 1.404,1023 8.036,1024 4.384,1025 7.782,1026 1.75,1027 9.427,1028 4.961,1029 6.463,1030 7.35,1031 2.858,1032 11.029,1033 6.269,1034 9.113,1035 1.345,1036 11.148,1037 4.428,1038 6.929,1039 7.883,1040 2.438,1041 12.838,1042 6.717,1043 10.474,1044 1.263,1045 12.907,1046 3.704,1047 8.378,1048 9.711,1049 3.472,1050 15.391,1051 8.108,1052 11.853,1053 1.051,1054 14.692,1055 2.845,1056 9.195,1057 10.593,1058 3.469,1059 17.517,1060 8.904,1061 13.246,1062 1,1063 16.496,1064 2.596,1065 10.447,1066 12.212,1067 4.27,1068 19.934,1069 10.108,1070 3.255,1071 1,1072 18.314,1073 2.275,1074 11.431,1075 13.286,1076 4.499,1077 22.197,1078 11.065,1079 3.023,1080 11.149,1081 20.143,1082 2.275,1083 12.605,1084 14.795,1085 5.168,1086 24.576,1087 12.199,1088 2.895,1089 9.69,1090 21.98,1091 4.034,1092 13.67,1093 15.984,1094 5.523,1095 26.901,1096 13.233,1097 2.743,1098 9.482,1099 23.826,1100 3.804,1101 14.817,1102 17.433,1103 6.119,1104 29.274,1105 14.343,1106 2.612,1107 8.657,1108 25.677,1109 3.578,1110 15.922,1111 18.691,1112 6.542,1113 31.63,1114 15.414,1115 2.422,1116 7.646,1117 27.534,1118 3.287,1119 17.064,1120 20.106,1121 7.097,1122 34.008,1123 16.52,1124 2.268,1125 7.015,1126 29.396,1127 3.134,1128 18.19,1129 21.41,1130 7.557,1131 36.382,1132 17.612,1133 29492,1134 47558,1135 29.413,1136 47.762,1137 66.264,1138 68.552,1139 66.777,1140 65.464,1141 65.566,1142 80.834,1143 12.632,1144 188.968,1145 62.142,1146 5.367,1147 5.717,1148 6.577,1149 5.324,1150 5.255,1151 7.034,1152 2.912,1153 18.125,1154 5.14,1155 20.189,1156 1.506,1157 1.558,1158 1.518,1159 1.488,1160 1.49,1161 1.837,1162 0.287,1163 4.295,1164 1.412,1165 4.018,1166 4.06,1167 3.972,1168 3.906,1169 7.432,1170 3.914,1171 3.945,1172 3.985,1173 3.897,1174 3.85,1175 7.427,1176 3.854,1177 3.835,1178 3.892,1179 3.755,1180 3.674,1181 5.13,1182 3.679,1183 3.803,1184 3.854,1185 3.716,1186 3.597,1187 4.743,1188 3.627,1189 3.622,1190 3.671,1191 3.54,1192 3.375,1193 4.701,1194 3.412,1195 3.456,1196 3.503,1197 3.398,1198 3.229,1199 4.62,1200 3.252,1201 3.352,1202 3.421,1203 3.222,1204 3.126,1205 4.467,1206 3.146,1207 3.22,1208 3.29,1209 3.057,1210 2.959,1211 4.444,1212 2.979,1213 0.099,1214 0.084,1215 0.154,1216 0.096,1217 0.074,1218 4.367,1219 0.092,1220 3.717,1221 0.038,1222 6.775,1223 0.253,1224 4.22,1225 0.071,1226 3.255,1227 4.034,1228 1.656,1229 11.149,1230 3.14,1231 1.934,1232 1.906,1233 2.046,1234 2.071,1235 1.31,1236 2.063,1237 1.914,1238 1.886,1239 2.016,1240 2.057,1241 1.198,1242 2.041,1243 1.799,1244 1.738,1245 1.976,1246 1.978,1247 1.104,1248 1.974,1249 1.729,1250 1.671,1251 1.918,1252 1.941,1253 1.084,1254 1.943,1255 1.504,1256 1.455,1257 1.691,1258 1.779,1259 0.939,1260 1.738,1261 1.391,1262 1.323,1263 1.64,1264 1.627,1265 0.825,1266 1.642,1267 1.274,1268 1.223,1269 1.513,1270 1.56,1271 0.6,1272 1.541,1273 1.159,1274 1.084,1275 1.489,1276 1.468,1277 0.543,1278 1.469,1279 4.489,1281 5.82,1283 7.34,1285 8.939,1287 10.578,1289 5.683,1295 4.684,1296 9.033,1297 10.709,1300 3.886,1301 -0.115,1305 45.879,1306 119.92,1307 272.338,1308 346.016,1309 377.235,1310 385.235,1311 391.235,1312 76.152,1313 8.59,1314 133.84,1315 133.84,1316 30,1317 12.832,1318 4.392,1319 3.585,1320 64.509,1321 254,1322 200,1323 0.121,1324 280.527,1325 492.58,1326 676.246,1327 84432,1329 28.114,1330 0.703,1331 0.573,1332 28.114,1333 22.938,1334 19.292,1335 0.438,1336 0.301,1337 12.987,1338 18.292,1339 12.636,1340 10.477,1341 19.292,1342 13.252,1343 17.918,1344 0.289,1345 0.166,1346 17.918,1347 10.316,1348 14.423,1349 0.185,1350 0.086,1351 14.423,1352 6.729,1353 11.912,1354 0.119,1355 0.047,1356 11.912,1357 4.661,1358 9.845,1359 0.077,1360 0.024,1361 9.845,1362 3.125,1363 0.2,1364 122.64,1365 0.184,1366 36.941,1367 0.307,1368 212,1369 652.166,1370 240.002,1371 618.042,1372 842.51,1373 580,1374 246,1375 617.736,1376 273.453,1377 623.221,1378 912.04,1379 582,1380 8.854}
{0 CHEMBL1808984,1 1.65,2 18.119,3 2.222,4 4.936,5 154.278,6 7.562,7 0.383,8 4.454,9 4.574,10 4.038,11 3.895,12 5.524,13 3.911,14 5.021,15 5.204,16 4.372,17 4.271,18 6.103,19 4.262,20 5.231,21 5.439,22 4.402,23 4.425,24 6.253,25 4.378,26 5.282,27 5.522,28 4.375,29 4.395,30 6.351,31 4.338,32 5.222,33 5.453,34 4.374,35 4.342,36 6.35,37 4.311,38 5.107,39 5.292,40 4.336,41 4.352,42 6.18,43 4.312,44 5.176,45 5.383,46 4.293,47 4.389,48 6.185,49 4.322,50 5.198,51 5.417,52 4.249,53 4.411,54 6.257,55 4.299,56 0.117,57 1.187,58 15.654,59 6.201,60 9.703,61 8.43,62 0.873,63 1.829,64 32.485,65 10.066,66 51.641,67 14.025,68 0.851,69 2.146,70 41.288,71 12.806,72 57.572,73 18.543,74 0.806,75 2.161,76 45.122,77 13.175,78 83.407,79 20.026,80 1.043,81 2.017,82 43.044,83 11.52,84 101.344,85 17.306,86 0.667,87 1.929,88 35.171,89 12.002,90 56.54,91 16.427,92 0.886,93 1.997,94 39.099,95 12.777,96 64.332,97 18.134,98 0.754,99 2.015,100 39.382,101 15.329,102 89.817,103 21.592,104 10,105 65,106 0.253,107 0.554,108 0.696,109 0.779,110 0.795,111 0.807,112 3.764,113 0.9,114 -3.5,115 -3.48,116 -3.32,119 38.2,124 1,125 10,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 4,183 8,186 3,187 8,192 4,195 4,198 3,199 15,204 6,211 5,212 11,217 4,224 10,227 4,229 2,232 4,236 4,237 4,245 8,249 4,250 4,253 7,258 8,263 4,266 1,271 4,275 3940,276 28.772,277 28.772,278 28.772,279 28.772,280 28.772,281 26.495,282 40.737,283 17.079,284 29.769,285 23.253,286 23.253,287 23.253,288 23.253,289 23.253,290 19.63,291 57.994,292 8.219,293 24.844,294 4.598,295 2.636,296 1.708,297 1.168,298 1.063,299 0.984,300 4.477,306 1694,307 3.808,309 114.558,311 817.66,318 2.923,319 46.391,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 93,331 761,332 4.371,333 3.695,334 6.393,335 3.965,336 3.032,337 4.035,338 1.656,339 9.707,340 2.928,341 4.267,342 3.562,343 6.313,344 3.958,345 2.984,346 3.801,347 1.2,348 9.676,349 2.839,350 4.051,351 3.247,352 6.022,353 3.7,354 2.748,355 3.58,356 0.86,357 8.657,358 2.592,359 3.896,360 3.07,361 5.589,362 3.587,363 2.643,364 3.218,365 0.86,366 7.691,367 2.502,368 3.735,369 2.835,370 5.56,371 3.534,372 2.622,373 3.028,374 0.86,375 7.6,376 2.364,377 3.69,378 2.773,379 5.381,380 3.413,381 2.462,382 2.863,383 0.8,384 7.023,385 2.333,386 3.49,387 2.586,388 5.224,389 3.278,390 2.331,391 2.637,392 0.8,393 6.498,394 2.201,395 3.379,396 2.533,397 5.075,398 3.079,399 2.159,400 2.468,401 0.293,402 6.171,403 1.986,404 3.293,405 2.35,406 4.916,407 2.933,408 1.978,409 2.412,410 0.247,411 5.617,412 1.873,413 3.036,414 2.264,415 4.632,416 2.738,417 1.773,418 2.114,420 4.941,421 1.699,422 2.924,423 2.157,424 4.432,425 2.625,426 1.737,427 2.001,428 4.416,429 1.533,430 2.741,431 1.863,432 4.198,433 2.266,434 1.336,435 1.82,436 3.704,437 1.237,438 2.5,439 1.644,440 3.676,441 2,442 1.051,443 1.5,445 2.599,446 1,447 2.5,448 1.36,449 3.492,450 2,451 1,452 1.5,454 2.275,455 1,456 2.349,457 1.277,458 3.414,459 1.967,460 1,461 1.18,463 2.275,464 0.965,465 19.367,466 0.461,467 0.934,468 0.022,469 53.25,470 1.268,471 23,472 0.548,473 30.25,474 0.72,475 37.417,476 0.891,477 46.633,478 0.614,479 46.383,480 1.104,481 10.687,482 0.254,483 9.809,484 0.234,485 0.06,487 0.32,493 0.849,494 1.669,495 0.751,496 1.3,497 0.602,498 1.043,499 1.035,500 0.941,501 0.951,502 0.884,503 0.627,504 0.896,505 1.031,506 1.153,507 1.023,508 1.037,509 0.898,510 1.025,511 0.905,512 1.14,513 0.915,514 1.021,515 1.227,516 0.968,517 1.146,518 0.883,519 0.951,520 0.767,521 1.554,522 0.794,523 1.104,524 1.135,525 1.077,526 1.144,527 1.059,528 1.113,529 0.977,530 1.001,531 1.094,532 1.029,533 0.944,534 1.073,535 0.389,536 1.07,537 0.978,538 1.335,539 0.412,540 1.3,541 8.5,542 0.194,543 3.889,544 2.563,545 1.822,546 1.507,547 0.929,548 0.495,549 0.327,550 0.416,551 37289,552 96484,553 2.158,554 44.7,556 32,559 2,564 1.806,565 2.066,566 4.078,567 0.196,573 125.378,574 1.65,575 3.612,576 4.54,577 5.08,578 5.185,579 5.264,580 3.521,581 4.785,582 5.363,583 4.32,584 3719.67,585 9.45,586 72398.2,591 474.842,592 1.224,593 5.344,594 0.181,595 0.005,596 0.062,597 0.04,598 0.03,599 0.024,600 0.015,601 0.009,602 0.006,603 0.01,604 0.382,605 0.33,606 0.63,607 0.4,608 246.923,609 -0.062,610 -0.394,611 0.077,612 -0.183,613 -0.028,614 -0.047,615 0.042,616 0.203,617 -0.005,618 0.098,619 0.084,620 0.038,621 -0.079,622 -0.09,623 -0.07,624 -0.034,625 -0.031,626 -0.047,627 -0.023,628 -0.13,629 0.062,630 -0.047,631 -0.027,632 0.017,633 -0.072,634 0.142,635 0.051,636 0.172,637 -0.113,638 0.15,639 -0.117,640 -0.039,641 -0.147,642 -0.107,643 -0.106,644 -0.131,645 -0.047,646 0.054,647 -0.149,648 -0.007,649 -0.096,650 -0.082,651 0.282,652 -0.047,653 -0.065,654 -0.253,655 0.274,656 -0.243,657 2.061,658 5.768,659 0.81,660 64.354,661 1.012,662 1.137,663 2.269,664 5.148,665 0.648,666 3.871,667 4.19,668 4.443,669 4.654,670 4.905,671 4.984,672 5.153,673 5.283,674 5.371,675 5.493,676 10.528,677 0.626,678 574.71,679 3.871,680 5.416,681 6.26,682 7.127,683 7.982,684 8.852,685 9.712,686 10.585,687 11.448,688 12.322,689 10.5,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 76,733 20,734 2,735 47,737 81,738 29,739 15,740 4,741 8,742 1,746 6,747 6,751 1,755 1,758 1,761 17,762 12,766 2,771 2,775 2,781 34,782 13,783 2,784 13,790 8,794 1,795 5,800 1,810 1,812 5,836 1,839 2,840 6,844 1,848 42,854 10,855 2,856 3,858 1,859 3,870 6.6,873 2,874 2,875 1,877 20.333,878 13.783,879 9.111,880 4.533,881 3.454,882 1.394,883 0.987,884 9.003,885 12.221,886 4.078,887 4.6,888 5.101,889 5.614,890 6.152,891 6.404,892 6.812,893 7.155,894 7.418,895 7.771,896 0.917,897 64,898 15.604,900 6.7,901 7.734,902 29.844,904 24.573,905 2.234,906 93.833,910 376.675,911 144.688,912 95.751,914 83.29,917 144.688,918 459.965,919 95.751,920 8.396,921 70.15,922 75.81,923 127.351,924 31.461,925 10.561,926 376.675,928 376.675,929 240.439,930 83.29,933 379.003,934 61.29,935 22,937 79.559,938 108.196,939 50.357,941 376.675,942 179.041,943 144.688,946 376.675,947 60.482,948 93.579,949 36.022,950 133.646,951 376.675,952 179.041,953 144.688,955 0.581,956 0.332,957 0.17,958 0.095,959 31,960 13,961 0.086,962 7,964 1,965 5.39,966 415.952,968 34,969 208.477,974 28.618,975 13.213,976 7.301,978 179.041,979 14.173,980 13.743,984 3.819,986 36.022,987 700.404,988 58,993 25.426,997 -0.39,999 76.938,1000 86.431,1001 0.264,1002 0.578,1003 0.727,1004 0.813,1005 0.83,1006 0.843,1007 5.33,1008 2.159,1009 6.229,1010 6.498,1011 4.875,1012 5.288,1013 2.711,1014 6.997,1015 4.754,1016 6.492,1017 1.978,1018 7.757,1019 6.171,1020 4.369,1021 4.966,1022 1.494,1023 7.763,1024 4.207,1025 7.774,1026 1.773,1027 9.38,1028 5.617,1029 6.447,1030 7.343,1031 2.94,1032 10.843,1033 6.212,1034 9.081,1035 1.737,1036 11.058,1037 4.941,1038 6.735,1039 7.813,1040 2.464,1041 12.415,1042 6.466,1043 10.42,1044 1.336,1045 12.771,1046 4.416,1047 8.256,1048 9.682,1049 3.505,1050 14.984,1051 7.922,1052 11.778,1053 1.051,1054 14.508,1055 3.704,1056 8.923,1057 10.534,1058 3.475,1059 16.914,1060 8.558,1061 13.151,1062 1,1063 16.263,1064 2.599,1065 10.199,1066 12.176,1067 4.28,1068 19.291,1069 9.778,1070 3.032,1071 1,1072 18.031,1073 2.275,1074 11.064,1075 13.239,1076 4.501,1077 21.391,1078 10.61,1079 2.984,1080 9.707,1081 19.81,1082 2.275,1083 12.227,1084 14.762,1085 5.171,1086 23.693,1087 11.725,1088 2.748,1089 9.676,1090 21.598,1091 4.035,1092 13.195,1093 15.949,1094 5.524,1095 25.875,1096 12.659,1097 2.643,1098 8.657,1099 23.393,1100 3.801,1101 14.308,1102 17.406,1103 6.12,1104 28.149,1105 13.729,1106 2.622,1107 7.691,1108 25.195,1109 3.58,1110 15.331,1111 18.666,1112 6.542,1113 30.37,1114 14.718,1115 2.462,1116 7.6,1117 27.002,1118 3.218,1119 16.423,1120 20.087,1121 7.098,1122 32.635,1123 15.771,1124 2.331,1125 7.023,1126 28.814,1127 3.028,1128 17.475,1129 21.393,1130 7.557,1131 34.877,1132 16.789,1133 34079,1134 55091,1135 32.304,1136 49.216,1137 69.894,1138 72.188,1139 70.549,1140 69.254,1141 69.235,1142 84.491,1143 15.152,1144 195.13,1145 65.08,1146 5.371,1147 5.695,1148 6.195,1149 5.07,1150 5.032,1151 7.035,1152 2.912,1153 16.457,1154 4.928,1155 16.187,1156 1.487,1157 1.536,1158 1.501,1159 1.473,1160 1.473,1161 1.798,1162 0.322,1163 4.152,1164 1.385,1165 4.02,1166 4.061,1167 3.976,1168 3.905,1169 7.432,1170 3.914,1171 3.942,1172 3.98,1173 3.895,1174 3.849,1175 7.427,1176 3.852,1177 3.831,1178 3.881,1179 3.762,1180 3.624,1181 5.129,1182 3.653,1183 3.787,1184 3.847,1185 3.681,1186 3.593,1187 4.752,1188 3.607,1189 3.757,1190 3.792,1191 3.647,1192 3.532,1193 4.725,1194 3.552,1195 3.584,1196 3.636,1197 3.51,1198 3.347,1199 4.673,1200 3.383,1201 3.429,1202 3.474,1203 3.375,1204 3.165,1205 4.602,1206 3.213,1207 3.266,1208 3.337,1209 3.176,1210 2.994,1211 4.363,1212 3.03,1213 0.093,1214 0.079,1215 0.136,1216 0.084,1217 0.065,1218 4.371,1219 0.086,1220 3.695,1221 0.035,1222 6.393,1223 0.207,1224 3.965,1225 0.062,1226 3.032,1227 4.035,1228 1.656,1229 9.707,1230 2.928,1231 1.934,1232 1.905,1233 2.032,1234 2.072,1235 1.287,1236 2.056,1237 1.911,1238 1.884,1239 2.012,1240 2.051,1241 1.199,1242 2.039,1243 1.75,1244 1.692,1245 1.95,1246 1.973,1247 1.185,1248 1.965,1249 1.737,1250 1.676,1251 1.92,1252 1.935,1253 1.103,1254 1.94,1255 1.68,1256 1.638,1257 1.89,1258 1.932,1259 1.081,1260 1.918,1261 1.468,1262 1.416,1263 1.556,1264 1.73,1265 0.825,1266 1.686,1267 1.295,1268 1.248,1269 1.54,1270 1.587,1271 0.825,1272 1.555,1273 1.18,1274 1.102,1275 1.513,1276 1.48,1277 0.651,1278 1.475,1279 4.554,1281 5.894,1283 7.412,1285 9,1287 10.626,1289 2.053,1295 6.75,1296 5.646,1297 16.574,1299 -0.073,1300 6.112,1305 47.594,1306 125.378,1307 274.539,1308 345.068,1309 386.088,1310 394.088,1311 400.088,1312 73.725,1313 8.766,1314 134.28,1315 134.28,1316 34,1317 12.864,1318 4.392,1319 3.585,1320 62.072,1321 271,1322 280,1323 0.109,1324 286.722,1325 506.31,1326 691.362,1327 102149,1329 28.89,1330 0.688,1331 0.559,1332 28.89,1333 23.492,1334 20.496,1335 0.436,1336 0.3,1337 13.787,1338 19.351,1339 13.565,1340 11.107,1341 20.496,1342 14.095,1343 18.541,1344 0.285,1345 0.161,1346 18.541,1347 10.448,1348 15.554,1349 0.185,1350 0.088,1351 15.554,1352 7.358,1353 12.373,1354 0.119,1355 0.045,1356 12.373,1357 4.63,1358 10.196,1359 0.076,1360 0.024,1361 10.196,1362 3.201,1363 0.179,1364 130.837,1365 0.176,1366 38.396,1367 0.276,1368 224,1369 713.214,1370 255.905,1371 666.366,1372 907.45,1373 628,1374 261,1375 660.261,1376 293.492,1377 659.574,1378 972.83,1379 619,1380 9.222}
{0 CHEMBL1808985,1 1.604,2 18,3 3.232,4 10.444,5 154.7,6 7.282,7 0.4,8 4.445,9 4.574,10 3.993,11 3.892,12 5.512,13 3.893,14 5.015,15 5.211,16 4.352,17 4.274,18 6.09,19 4.253,20 5.248,21 5.462,22 4.384,23 4.437,24 6.255,25 4.383,26 5.308,27 5.555,28 4.361,29 4.408,30 6.365,31 4.34,32 5.229,33 5.467,34 4.339,35 4.347,36 6.34,37 4.307,38 5.114,39 5.304,40 4.305,41 4.36,42 6.183,43 4.307,44 5.186,45 5.403,46 4.239,47 4.397,48 6.179,49 4.316,50 5.211,51 5.438,52 4.18,53 4.426,54 6.262,55 4.289,56 0.066,57 1.189,58 16.578,59 6.268,60 9.524,61 8.926,62 0.754,63 1.835,64 33.291,65 10.253,66 49.198,67 14.962,68 0.676,69 2.169,70 42.996,71 13.07,72 55.656,73 19.377,74 0.71,75 2.185,76 47.081,77 13.507,78 84.482,79 20.996,80 0.887,81 2.03,82 43.896,83 11.431,84 98.133,85 17.688,86 0.577,87 1.945,88 36.538,89 12.218,90 56.324,91 17.239,92 0.743,93 2.023,94 40.42,95 12.869,96 62.32,97 18.833,98 0.689,99 2.047,100 40.679,101 15.783,102 91.165,103 22.647,104 28,105 62,106 0.246,107 0.55,108 0.707,109 0.769,110 0.785,111 0.797,112 3.741,113 0.924,114 -4.21,115 -4.15,116 -3.92,119 37.7,120 2,124 1,125 8,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 6,178 2,179 1,180 4,183 9,186 2,187 8,192 4,195 4,198 3,199 19,204 6,211 3,212 11,217 4,224 14,227 4,229 2,232 6,236 2,237 3,245 12,249 4,250 2,253 7,258 12,263 4,266 1,271 4,275 3687,276 27.618,277 27.618,278 27.618,279 27.618,280 27.618,281 25.34,282 39.212,283 16.417,284 28.528,285 22.253,286 22.253,287 22.253,288 22.253,289 22.253,290 18.63,291 56.449,292 7.895,293 23.684,294 4.662,295 2.682,296 1.653,297 1.25,298 1.146,299 1.068,300 4.445,306 1604,307 4.123,311 801.436,318 2.878,319 42.53,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 90,331 738,332 4.37,333 3.695,334 6.393,335 3.965,336 3.029,337 4.035,338 1.656,339 9.703,340 2.928,341 4.267,342 3.562,343 6.312,344 3.956,345 2.984,346 3.801,347 1.2,348 9.676,349 2.838,350 4.05,351 3.217,352 6.022,353 3.698,354 2.747,355 3.58,356 0.86,357 8.657,358 2.59,359 3.896,360 2.939,361 5.58,362 3.587,363 2.633,364 3.217,365 0.86,366 7.658,367 2.501,368 3.728,369 2.79,370 5.414,371 3.427,372 2.495,373 3.028,374 0.8,375 7.148,376 2.341,377 3.617,378 2.773,379 5.356,380 3.336,381 2.42,382 2.833,383 0.8,384 6.942,385 2.212,386 3.477,387 2.569,388 5.22,389 3.254,390 2.309,391 2.63,392 0.293,393 6.487,394 2.146,395 3.326,396 2.437,397 4.916,398 2.977,399 2.018,400 2.447,401 0.247,402 5.621,403 1.93,404 3.072,405 2.282,406 4.659,407 2.854,408 1.921,409 2.138,411 5.041,412 1.784,413 3.028,414 2.157,415 4.555,416 2.731,417 1.759,418 2.096,420 4.773,421 1.693,422 2.854,423 2.044,424 4.29,425 2.579,426 1.687,427 1.899,428 4.144,429 1.497,430 2.732,431 1.863,432 4.188,433 2.252,434 1.317,435 1.811,436 3.678,437 1.226,438 2.5,439 1.519,440 3.676,441 2,442 1.048,443 1.5,445 2.593,446 1,447 2.5,448 1.277,449 3.49,450 2,451 1,452 1.5,454 2.275,455 1,456 2.349,457 1.256,458 3.414,459 1.967,460 1,461 1.179,463 2.275,464 0.965,465 19.033,466 0.464,467 1.009,468 0.025,469 51.75,470 1.262,471 23,472 0.561,473 28.75,474 0.701,475 38.059,476 0.928,477 45.767,478 0.594,479 45.073,480 1.099,481 10.229,482 0.249,483 9.606,484 0.234,485 0.114,487 0.326,493 0.836,494 1.682,495 0.794,496 1.308,497 0.614,498 1.076,499 0.924,500 0.954,501 0.889,502 0.894,503 0.553,504 0.883,505 1.19,506 1.156,507 1.046,508 1.037,509 0.94,510 1.018,511 0.972,512 1.123,513 0.912,514 1.001,515 1.221,516 0.946,517 1.327,518 0.884,519 1.002,520 0.762,521 1.636,522 0.797,523 1.177,524 1.151,525 1.114,526 1.161,527 1.067,528 1.136,529 1.101,530 1.006,531 1.158,532 1.031,533 0.977,534 1.088,535 0.323,536 1.093,537 1.034,538 1.363,539 0.423,540 1.346,541 9,542 0.202,543 4,544 2.5,545 1.951,546 1.549,547 1.05,548 0.613,549 0.394,550 0.433,551 33375,552 83810,553 2.09,554 46.8,556 28,559 2,561 6,564 1.8,565 1.968,566 4.059,567 0.185,573 123.544,574 1.604,575 3.585,576 4.614,577 5.017,578 5.12,579 5.198,580 3.508,581 4.784,582 5.329,583 4.301,584 3526.58,585 9.378,586 67465.3,591 482.543,592 1.363,593 5.294,594 0.2,595 0.005,596 0.065,597 0.04,598 0.033,599 0.026,600 0.018,601 0.011,602 0.008,603 0.011,604 0.417,605 0.33,606 0.63,607 0.762,608 239.466,609 -0.046,610 -0.39,611 0.072,612 -0.174,613 -0.041,614 -0.051,615 0.145,616 0.198,617 0.075,618 0.1,619 0.144,620 0.072,621 -0.143,622 -0.092,623 -0.074,624 -0.032,625 -0.056,626 -0.041,627 -0.013,628 -0.121,629 0.076,630 -0.032,631 -0.002,632 0.03,633 -0.146,634 0.15,635 0.013,636 0.17,637 -0.149,638 0.137,639 -0.115,640 -0.046,641 -0.162,642 -0.117,643 -0.094,644 -0.147,645 -0.126,646 0.061,647 -0.199,648 -0.01,649 -0.121,650 -0.098,651 0.307,652 -0.06,653 -0.124,654 -0.274,655 0.253,656 -0.286,657 2.057,658 5.757,659 0.732,660 61.333,661 1.006,662 1.138,663 2.98,664 8.88,665 0.643,666 3.829,667 4.143,668 4.369,669 4.615,670 4.86,671 4.927,672 5.081,673 5.176,674 5.231,675 5.352,676 10.392,677 0.616,678 560.73,679 3.829,680 5.371,681 6.205,682 7.071,683 7.92,684 8.79,685 9.646,686 10.517,687 11.378,688 12.25,689 10.4,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 77,733 20,734 2,735 45,737 81,738 29,739 15,740 4,741 8,742 1,746 5,747 5,751 1,752 2,758 1,761 17,762 12,766 2,771 2,775 2,781 36,782 12,783 2,784 12,790 8,794 1,795 4,812 5,836 1,839 1,840 5,844 3,848 41,854 8,855 2,856 2,858 1,859 3,870 5.2,873 2,874 1,875 1,877 20.833,878 14.617,879 8.944,880 4.7,881 3.444,882 1.4,883 0.97,884 9.546,885 12.049,886 4.043,887 4.57,888 5.064,889 5.599,890 6.135,891 6.378,892 6.777,893 7.103,894 7.341,895 7.696,896 0.917,897 63,898 15.216,900 6.415,901 7.728,902 29.091,904 23.511,905 2.228,906 91.333,910 400.217,911 153.154,912 95.751,914 72.29,917 153.154,918 472.507,919 95.751,920 26.047,921 60.965,922 75.81,923 116.351,924 31.461,925 10.561,926 400.217,928 400.217,929 248.905,930 72.29,933 331.919,934 131.916,935 11,937 88.024,938 108.196,939 50.357,941 400.217,942 168.041,943 153.154,946 400.217,947 51.297,948 111.23,949 36.022,950 122.646,951 400.217,952 168.041,953 153.154,955 0.58,956 0.323,957 0.173,958 0.098,959 28,960 13,961 0.086,962 7,964 1,965 5.188,966 395.702,968 30,969 201.66,974 29.052,975 13.471,976 7.848,978 168.041,979 14.19,980 13.678,984 3.868,986 36.022,987 721.412,988 56,993 25.39,997 -0.384,999 77.494,1000 87.637,1001 0.256,1002 0.572,1003 0.736,1004 0.801,1005 0.817,1006 0.83,1007 5.291,1008 2.018,1009 6.18,1010 6.487,1011 4.828,1012 5.257,1013 2.607,1014 6.946,1015 4.714,1016 6.461,1017 1.921,1018 7.71,1019 5.621,1020 4.369,1021 4.966,1022 1.494,1023 7.724,1024 4.207,1025 7.741,1026 1.759,1027 9.334,1028 5.041,1029 6.385,1030 7.318,1031 2.881,1032 10.789,1033 6.163,1034 9.049,1035 1.687,1036 11.011,1037 4.773,1038 6.698,1039 7.8,1040 2.464,1041 12.369,1042 6.437,1043 10.387,1044 1.317,1045 12.724,1046 4.144,1047 8.19,1048 9.666,1049 3.481,1050 14.939,1051 7.874,1052 11.745,1053 1.048,1054 14.461,1055 3.678,1056 8.874,1057 10.525,1058 3.475,1059 16.876,1060 8.523,1061 13.12,1062 1,1063 16.217,1064 2.593,1065 10.136,1066 12.167,1067 4.272,1068 19.257,1069 9.736,1070 3.029,1071 1,1072 17.987,1073 2.275,1074 11.011,1075 13.233,1076 4.501,1077 21.362,1078 10.578,1079 2.984,1080 9.703,1081 19.768,1082 2.275,1083 12.168,1084 14.757,1085 5.168,1086 23.668,1087 11.691,1088 2.747,1089 9.676,1090 21.558,1091 4.035,1092 13.144,1093 15.945,1094 5.524,1095 25.853,1096 12.632,1097 2.633,1098 8.657,1099 23.356,1100 3.801,1101 14.254,1102 17.403,1103 6.119,1104 28.13,1105 13.703,1106 2.495,1107 7.658,1108 25.161,1109 3.58,1110 15.283,1111 18.664,1112 6.542,1113 30.354,1114 14.696,1115 2.42,1116 7.148,1117 26.97,1118 3.217,1119 16.375,1120 20.085,1121 7.097,1122 32.621,1123 15.751,1124 2.309,1125 6.942,1126 28.785,1127 3.028,1128 17.431,1129 21.391,1130 7.557,1131 34.865,1132 16.772,1133 31252,1134 49783,1135 30.224,1136 49.523,1137 67.406,1138 69.214,1139 68.351,1140 66.827,1141 66.754,1142 81.996,1143 13.432,1144 187.265,1145 63.048,1146 5.37,1147 5.695,1148 6.195,1149 5.069,1150 5.029,1151 7.035,1152 2.912,1153 16.452,1154 4.928,1155 20.658,1156 1.498,1157 1.538,1158 1.519,1159 1.485,1160 1.483,1161 1.822,1162 0.298,1163 4.161,1164 1.401,1165 4.017,1166 4.059,1167 3.973,1168 3.905,1169 7.432,1170 3.913,1171 3.941,1172 3.979,1173 3.894,1174 3.849,1175 7.427,1176 3.852,1177 3.822,1178 3.878,1179 3.752,1180 3.615,1181 5.125,1182 3.641,1183 3.785,1184 3.846,1185 3.68,1186 3.59,1187 4.74,1188 3.606,1189 3.664,1190 3.714,1191 3.556,1192 3.45,1193 4.7,1194 3.461,1195 3.536,1196 3.6,1197 3.425,1198 3.326,1199 4.618,1200 3.345,1201 3.423,1202 3.471,1203 3.344,1204 3.163,1205 4.458,1206 3.209,1207 3.265,1208 3.337,1209 3.175,1210 2.993,1211 4.363,1212 3.029,1213 0.097,1214 0.082,1215 0.142,1216 0.088,1217 0.067,1218 4.37,1219 0.09,1220 3.695,1221 0.037,1222 6.393,1223 0.216,1224 3.965,1225 0.065,1226 3.029,1227 4.035,1228 1.656,1229 9.703,1230 2.928,1231 1.934,1232 1.905,1233 2.032,1234 2.069,1235 1.287,1236 2.055,1237 1.911,1238 1.884,1239 2.012,1240 2.05,1241 1.198,1242 2.037,1243 1.749,1244 1.679,1245 1.95,1246 1.97,1247 1.104,1248 1.963,1249 1.731,1250 1.673,1251 1.92,1252 1.935,1253 1.081,1254 1.939,1255 1.614,1256 1.557,1257 1.887,1258 1.847,1259 1.053,1260 1.855,1261 1.456,1262 1.397,1263 1.556,1264 1.704,1265 0.825,1266 1.676,1267 1.294,1268 1.246,1269 1.54,1270 1.584,1271 0.825,1272 1.554,1273 1.18,1274 1.102,1275 1.513,1276 1.48,1277 0.651,1278 1.474,1279 4.511,1281 5.826,1283 7.326,1285 8.905,1287 10.527,1289 5.899,1295 5.773,1296 5.644,1297 11.241,1299 -0.082,1300 6.116,1305 47.406,1306 123.544,1307 276.066,1308 355.258,1309 386.278,1310 394.278,1311 400.278,1312 77.508,1313 8.605,1314 125.05,1315 125.05,1316 30,1317 12.794,1318 4.392,1319 3.585,1320 66.894,1321 261,1322 267,1323 0.122,1324 290.119,1325 509.88,1326 699.651,1327 84709,1329 28.769,1330 0.702,1331 0.577,1332 28.769,1333 23.669,1334 19.835,1335 0.441,1336 0.308,1337 13.587,1338 18.804,1339 13.247,1340 10.96,1341 19.835,1342 13.856,1343 18.138,1344 0.293,1345 0.167,1346 18.138,1347 10.337,1348 14.467,1349 0.185,1350 0.087,1351 14.467,1352 6.819,1353 12.044,1354 0.12,1355 0.045,1356 12.044,1357 4.528,1358 9.809,1359 0.077,1360 0.024,1361 9.809,1362 3.123,1363 0.201,1364 125.866,1365 0.182,1366 37.653,1367 0.31,1368 214,1369 659.479,1370 243.026,1371 623.651,1372 851.49,1373 586,1374 247,1375 626.625,1376 275.284,1377 627.761,1378 921.05,1379 589,1380 8.523}
{0 CHEMBL1808986,1 1.591,2 18.049,3 3.413,4 11.649,5 156.669,6 7.123,7 0.409,8 4.455,9 4.589,10 3.977,11 3.887,12 5.535,13 3.883,14 5.013,15 5.219,16 4.32,17 4.25,18 6.088,19 4.225,20 5.215,21 5.422,22 4.358,23 4.413,24 6.252,25 4.357,26 5.326,27 5.583,28 4.358,29 4.401,30 6.375,31 4.332,32 5.246,33 5.485,34 4.356,35 4.37,36 6.349,37 4.329,38 5.186,39 5.382,40 4.322,41 4.409,42 6.257,43 4.343,44 5.277,45 5.515,46 4.257,47 4.434,48 6.257,49 4.344,50 5.232,51 5.454,52 4.201,53 4.465,54 6.293,55 4.326,56 0.054,57 1.192,58 17.422,59 6.34,60 10.676,61 9.288,62 0.775,63 1.788,64 34.193,65 10.125,66 51.084,67 15.134,68 0.593,69 2.098,70 41.751,71 12.783,72 55.429,73 19.16,74 0.724,75 2.178,76 48.634,77 13.234,78 90.316,79 21.305,80 0.869,81 2.076,82 44.795,83 11.205,84 92.536,85 18.028,86 0.568,87 2.042,88 40.073,89 13.269,90 61.414,91 19.127,92 0.842,93 2.101,94 45.864,95 13.938,96 78.826,97 20.957,98 0.67,99 2.102,100 41.666,101 16.3,102 92.169,103 23.367,104 61,105 60,106 0.243,107 0.546,108 0.712,109 0.775,110 0.79,111 0.802,112 3.741,113 0.929,114 -4.21,115 -4.15,116 -3.92,119 36.7,120 2,124 3,125 6,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 6,178 2,179 1,180 4,183 9,186 2,187 8,192 4,195 4,198 3,199 19,204 6,211 3,212 11,217 4,224 14,227 4,229 2,232 6,236 2,237 3,245 12,249 4,250 2,253 7,258 12,263 4,266 1,271 4,275 3761,276 27.17,277 27.17,278 27.17,279 27.17,280 27.17,281 24.892,282 38.094,283 16.224,284 28.078,285 21.743,286 21.743,287 21.743,288 21.743,289 21.743,290 18.113,291 53.949,292 7.798,293 23.154,294 4.713,295 2.736,296 1.646,297 1.238,298 1.136,299 1.06,300 4.432,306 1565,307 4.899,311 645.185,318 2.926,319 41.626,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 90,331 740,332 4.37,333 3.678,334 6.332,335 3.956,336 3.029,337 4.035,338 1.656,339 9.703,340 2.909,341 4.254,342 3.562,343 6.312,344 3.935,345 2.947,346 3.799,347 1.2,348 9.392,349 2.838,350 4.049,351 3.217,352 6.022,353 3.696,354 2.745,355 3.579,356 0.86,357 8.657,358 2.588,359 3.885,360 2.939,361 5.573,362 3.574,363 2.619,364 3.207,365 0.86,366 7.64,367 2.491,368 3.719,369 2.79,370 5.404,371 3.397,372 2.476,373 3.024,374 0.8,375 7.127,376 2.312,377 3.611,378 2.615,379 5.324,380 3.302,381 2.371,382 2.832,383 0.8,384 6.883,385 2.161,386 3.398,387 2.56,388 5.046,389 3.157,390 2.226,391 2.594,392 0.293,393 5.842,394 2.069,395 3.245,396 2.437,397 4.67,398 2.975,399 2.018,400 2.316,401 0.247,402 5.118,403 1.923,404 3.071,405 2.282,406 4.605,407 2.854,408 1.92,409 2.131,411 4.923,412 1.784,413 3.028,414 2.135,415 4.548,416 2.727,417 1.754,418 2.09,420 4.736,421 1.69,422 2.854,423 2.044,424 4.29,425 2.579,426 1.687,427 1.899,428 4.144,429 1.497,430 2.732,431 1.859,432 4.188,433 2.252,434 1.317,435 1.811,436 3.677,437 1.226,438 2.5,439 1.519,440 3.571,441 2,442 1.048,443 1.5,445 2.593,446 1,447 2.5,448 1.277,449 3.49,450 2,451 1,452 1.5,454 2.275,455 1,456 2.326,457 1.256,458 3.414,459 1.952,460 1,461 1.174,463 2.275,464 0.946,465 19.033,466 0.464,467 1.085,468 0.026,469 51.25,470 1.25,471 23,472 0.561,473 28.25,474 0.689,475 38.428,476 0.937,477 46.367,478 0.587,479 46.118,480 1.125,481 10.312,482 0.252,483 9.361,484 0.228,485 0.166,487 0.326,493 0.842,494 1.732,495 0.824,496 1.355,497 0.639,498 1.119,499 0.949,500 0.874,501 0.872,502 0.827,503 0.563,504 0.829,505 1.198,506 1.248,507 1.064,508 1.121,509 0.981,510 1.08,511 0.987,512 1.109,513 0.874,514 0.94,515 1.226,516 0.887,517 1.322,518 0.893,519 1.027,520 0.764,521 1.478,522 0.808,523 1.148,524 1.206,525 1.136,526 1.237,527 1.094,528 1.198,529 1.131,530 0.907,531 1.078,532 0.915,533 1.136,534 0.975,535 0.332,536 1.127,537 1.077,538 1.412,539 0.441,540 1.394,541 9.5,542 0.207,543 4,544 2.5,545 1.969,546 1.59,547 1.072,548 0.608,549 0.439,550 0.443,551 31632,552 80979,553 2.021,554 48.1,556 30,559 2,561 6,564 1.8,565 1.878,566 4.062,567 0.185,573 125.696,574 1.591,575 3.568,576 4.658,577 5.066,578 5.167,579 5.243,580 3.528,581 4.833,582 5.327,583 4.32,584 3542.6,585 9.378,586 68200.3,591 497.999,592 1.455,593 5.28,594 0.216,595 0.006,596 0.067,597 0.041,598 0.033,599 0.026,600 0.018,601 0.011,602 0.009,603 0.012,604 0.438,605 0.33,606 0.75,607 1.383,608 239.859,609 -0.04,610 -0.417,611 0.066,612 -0.195,613 -0.056,614 -0.067,615 0.151,616 0.274,617 0.112,618 0.165,619 0.153,620 0.132,621 -0.133,622 -0.158,623 -0.092,624 -0.089,625 -0.061,626 -0.088,627 -0.009,628 -0.112,629 0.121,630 0.018,631 -0.002,632 0.084,633 -0.156,634 0.177,635 -0.012,636 0.163,637 -0.126,638 0.122,639 -0.099,640 -0.098,641 -0.176,642 -0.176,643 -0.089,644 -0.192,645 -0.113,646 0.114,647 -0.097,648 0.093,649 -0.122,650 0.017,651 0.288,652 -0.055,653 -0.172,654 -0.298,655 0.232,656 -0.323,657 2.067,658 5.613,659 0.585,660 63.358,661 1.005,662 1.14,663 2.98,664 8.88,665 0.637,666 3.807,667 4.111,668 4.304,669 4.533,670 4.762,671 4.836,672 5.004,673 5.094,674 5.142,675 5.252,676 10.508,677 0.607,678 562.75,679 3.807,680 5.342,681 6.163,682 7.024,683 7.864,684 8.729,685 9.578,686 10.446,687 11.301,688 12.171,689 10.1,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 79,733 20,734 2,735 44,737 82,738 29,739 15,740 4,741 8,742 1,746 4,747 4,751 1,752 2,758 1,761 17,762 12,766 2,771 2,775 2,781 38,782 12,783 2,784 12,790 8,794 1,795 4,812 4,836 1,839 1,840 4,844 5,848 41,854 6,855 2,856 2,858 1,859 3,870 5.1,873 2,874 1,875 1,877 21.833,878 15.617,879 9.028,880 4.65,881 3.415,882 1.409,883 0.947,884 10.744,885 11.758,886 4.025,887 4.549,888 5.032,889 5.565,890 6.104,891 6.348,892 6.75,893 7.071,894 7.301,895 7.655,896 0.917,897 61,898 15.184,900 6.26,901 7.752,902 28.872,904 22.69,905 2.252,906 92.333,910 423.76,911 165.735,912 95.751,914 72.29,917 165.735,918 496.049,919 95.751,920 42.84,921 56.753,922 75.81,923 116.351,924 31.461,925 10.561,926 423.76,928 423.76,929 261.486,930 72.29,933 355.461,934 131.916,935 11,937 83.813,938 124.989,939 50.357,941 423.76,942 168.041,943 165.735,946 423.76,947 47.085,948 128.022,949 36.022,950 122.646,951 423.76,952 168.041,953 165.735,955 0.578,956 0.313,957 0.164,958 0.093,959 25,960 13,961 0.122,962 10,964 1,965 5.113,966 384.835,968 24,969 203.66,974 30.503,975 14.441,976 9.017,978 168.041,979 14.05,980 13.666,984 3.786,986 36.022,987 757.535,988 55,993 25.22,997 -0.469,999 79.378,1000 90.052,1001 0.252,1002 0.566,1003 0.739,1004 0.804,1005 0.82,1006 0.832,1007 5.265,1008 2.018,1009 6.142,1010 5.842,1011 4.796,1012 5.236,1013 2.607,1014 6.899,1015 4.681,1016 6.441,1017 1.92,1018 7.67,1019 5.118,1020 4.369,1021 4.966,1022 1.494,1023 7.676,1024 4.207,1025 7.72,1026 1.754,1027 9.291,1028 4.923,1029 6.344,1030 7.302,1031 2.881,1032 10.728,1033 6.124,1034 9.027,1035 1.687,1036 10.967,1037 4.736,1038 6.673,1039 7.792,1040 2.464,1041 12.299,1042 6.416,1043 10.365,1044 1.317,1045 12.678,1046 4.144,1047 8.141,1048 9.655,1049 3.481,1050 14.864,1051 7.831,1052 11.722,1053 1.048,1054 14.413,1055 3.677,1056 8.832,1057 10.516,1058 3.475,1059 16.789,1060 8.489,1061 13.096,1062 1,1063 16.166,1064 2.593,1065 10.08,1066 12.159,1067 4.272,1068 19.164,1069 9.691,1070 3.029,1071 1,1072 17.934,1073 2.275,1074 10.958,1075 13.226,1076 4.501,1077 21.256,1078 10.536,1079 2.947,1080 9.703,1081 19.713,1082 2.275,1083 12.106,1084 14.751,1085 5.168,1086 23.553,1087 11.643,1088 2.745,1089 9.392,1090 21.5,1091 4.035,1092 13.081,1093 15.939,1094 5.524,1095 25.726,1096 12.584,1097 2.619,1098 8.657,1099 23.296,1100 3.799,1101 14.187,1102 17.398,1103 6.119,1104 27.992,1105 13.651,1106 2.476,1107 7.64,1108 25.097,1109 3.579,1110 15.213,1111 18.659,1112 6.542,1113 30.204,1114 14.642,1115 2.371,1116 7.127,1117 26.904,1118 3.207,1119 16.301,1120 20.081,1121 7.097,1122 32.459,1123 15.693,1124 2.226,1125 6.883,1126 28.715,1127 3.024,1128 17.355,1129 21.387,1130 7.557,1131 34.69,1132 16.711,1133 30609,1134 49244,1135 28.838,1136 50.285,1137 65.468,1138 67.46,1139 66.67,1140 65.015,1141 64.906,1142 80.137,1143 13.432,1144 180.361,1145 61.257,1146 5.37,1147 5.678,1148 6.134,1149 5.06,1150 5.029,1151 7.035,1152 2.912,1153 16.342,1154 4.909,1155 24.667,1156 1.488,1157 1.533,1158 1.515,1159 1.478,1160 1.475,1161 1.821,1162 0.305,1163 4.099,1164 1.392,1165 4.013,1166 4.053,1167 3.971,1168 3.903,1169 7.432,1170 3.91,1171 3.933,1172 3.966,1173 3.887,1174 3.847,1175 7.427,1176 3.85,1177 3.816,1178 3.866,1179 3.749,1180 3.607,1181 5.125,1182 3.638,1183 3.711,1184 3.79,1185 3.591,1186 3.493,1187 4.74,1188 3.505,1189 3.664,1190 3.714,1191 3.555,1192 3.45,1193 4.7,1194 3.46,1195 3.541,1196 3.606,1197 3.431,1198 3.327,1199 4.618,1200 3.346,1201 3.478,1202 3.554,1203 3.359,1204 3.226,1205 4.458,1206 3.254,1207 3.358,1208 3.415,1209 3.259,1210 3.082,1211 4.347,1212 3.121,1213 0.099,1214 0.084,1215 0.144,1216 0.09,1217 0.069,1218 4.37,1219 0.092,1220 3.678,1221 0.038,1222 6.332,1223 0.221,1224 3.956,1225 0.066,1226 3.029,1227 4.035,1228 1.656,1229 9.703,1230 2.909,1231 1.932,1232 1.904,1233 2.025,1234 2.067,1235 1.198,1236 2.049,1237 1.907,1238 1.881,1239 2.005,1240 2.027,1241 1.167,1242 2.019,1243 1.732,1244 1.676,1245 1.92,1246 1.955,1247 1.103,1248 1.949,1249 1.66,1250 1.581,1251 1.903,1252 1.901,1253 1.075,1254 1.908,1255 1.614,1256 1.557,1257 1.887,1258 1.847,1259 1.053,1260 1.855,1261 1.458,1262 1.398,1263 1.698,1264 1.717,1265 0.825,1266 1.703,1267 1.407,1268 1.328,1269 1.542,1270 1.68,1271 0.78,1272 1.669,1273 1.237,1274 1.182,1275 1.513,1276 1.535,1277 0.585,1278 1.497,1279 4.489,1281 5.796,1283 7.28,1285 8.843,1287 10.451,1289 9.551,1295 4.01,1296 5.617,1297 11.235,1299 -0.084,1300 5.752,1305 47.932,1306 125.696,1307 281.883,1308 367.96,1309 400.224,1310 408.224,1311 414.224,1312 87.995,1313 8.342,1314 125.05,1315 125.05,1316 24,1317 12.717,1318 4.392,1319 3.585,1320 76.744,1321 263,1322 267,1323 0.14,1324 297.513,1325 522.24,1326 717.691,1327 59571,1329 29.355,1330 0.716,1331 0.592,1332 29.355,1333 24.255,1334 19.673,1335 0.447,1336 0.31,1337 13.341,1338 18.627,1339 12.885,1340 10.78,1341 19.673,1342 13.618,1343 18.067,1344 0.301,1345 0.171,1346 18.067,1347 10.271,1348 13.76,1349 0.188,1350 0.086,1351 13.76,1352 6.258,1353 11.171,1354 0.121,1355 0.044,1356 11.171,1357 4.007,1358 9.039,1359 0.078,1360 0.023,1361 9.039,1362 2.723,1363 0.23,1364 125.065,1365 0.186,1366 37.671,1367 0.355,1368 208,1369 653.479,1370 236.36,1371 619.231,1372 839.17,1373 580,1374 237,1375 611.921,1376 264.591,1377 617.267,1378 898.66,1379 575,1380 9}
{0 CHEMBL1808987,1 1.607,2 18,3 3.207,4 10.286,5 151.772,6 7.22,7 0.419,8 4.421,9 4.554,10 3.952,11 3.856,12 5.511,13 3.855,14 4.971,15 5.171,16 4.291,17 4.215,18 6.074,19 4.191,20 5.182,21 5.395,22 4.309,23 4.36,24 6.217,25 4.305,26 5.25,27 5.508,28 4.307,29 4.328,30 6.306,31 4.265,32 5.166,33 5.402,34 4.295,35 4.279,36 6.297,37 4.248,38 5.086,39 5.281,40 4.287,41 4.307,42 6.18,43 4.264,44 5.146,45 5.347,46 4.236,47 4.373,48 6.198,49 4.304,50 5.214,51 5.436,52 4.182,53 4.447,54 6.283,55 4.306,56 0.075,57 1.153,58 16.513,59 6.056,60 10.244,61 8.773,62 0.746,63 1.723,64 32.309,65 9.847,66 52.147,67 14.488,68 0.647,69 2.006,70 40.511,71 12.109,72 58.563,73 18.181,74 0.687,75 2.038,76 44.888,77 12.076,78 79.55,79 19.583,80 0.85,81 1.91,82 41.209,83 10.075,84 91.905,85 16.154,86 0.594,87 1.851,88 36.168,89 11.518,90 57.779,91 16.536,92 0.78,93 1.952,94 38.774,95 12.098,96 69.599,97 17.584,98 0.659,99 2.056,100 40.618,101 16.232,102 93.208,103 23.134,104 48,105 58,106 0.248,107 0.566,108 0.725,109 0.774,110 0.79,111 0.802,112 3.717,113 0.923,114 -4.01,115 -3.97,116 -3.76,119 36.8,120 2,124 2,125 6,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 7,175 5,178 3,179 1,180 5,183 9,186 1,187 6,190 1,192 6,195 4,198 3,199 17,204 8,211 3,212 11,217 4,224 14,227 3,228 1,229 2,232 6,236 2,237 3,245 12,249 3,250 2,253 7,254 1,258 12,263 4,266 1,271 4,275 3562,276 26.67,277 26.67,278 26.67,279 26.67,280 26.67,281 24.368,282 37.477,283 16.068,284 27.529,285 21.286,286 21.286,287 21.286,288 21.286,289 21.286,290 17.635,291 52.996,292 7.74,293 22.627,294 4.641,295 2.574,296 1.54,297 1.224,298 1.119,299 1.04,300 4.41,306 1526,307 4.69,311 625.263,318 2.95,319 41.336,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 88,331 720,332 4.37,333 3.568,334 6.312,335 3.956,336 3.029,337 4.035,338 1.656,339 9.703,340 2.841,341 4.196,342 3.55,343 6.03,344 3.833,345 2.835,346 3.774,347 1.058,348 8.657,349 2.827,350 4.045,351 3.217,352 6.022,353 3.69,354 2.738,355 3.579,356 0.86,357 8.596,358 2.582,359 3.851,360 2.939,361 5.56,362 3.547,363 2.59,364 3.161,365 0.86,366 7.601,367 2.47,368 3.696,369 2.79,370 5.397,371 3.374,372 2.46,373 3.005,374 0.8,375 7.107,376 2.282,377 3.602,378 2.584,379 5.296,380 3.278,381 2.331,382 2.831,383 0.8,384 6.823,385 2.153,386 3.349,387 2.56,388 4.687,389 3.132,390 2.215,391 2.552,392 0.247,393 5.204,394 2.029,395 3.22,396 2.436,397 4.656,398 2.939,399 1.979,400 2.231,402 5.105,403 1.901,404 3.064,405 2.282,406 4.562,407 2.822,408 1.855,409 2.125,411 4.811,412 1.766,413 2.855,414 2.044,415 4.29,416 2.579,417 1.687,418 1.901,420 4.145,421 1.497,422 2.846,423 1.892,424 4.2,425 2.459,426 1.49,427 1.892,428 3.819,429 1.436,430 2.73,431 1.519,432 4.154,433 2.25,434 1.314,435 1.806,436 3.651,437 1.223,438 2.5,439 1.498,440 3.49,441 2,442 1.047,443 1.5,445 2.593,446 1,447 2.5,448 1.277,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.199,457 1.256,458 3.414,459 1.952,460 1,461 1.173,463 2.275,464 0.946,465 18.533,466 0.463,467 0.996,468 0.025,469 50.5,470 1.263,471 23,472 0.575,473 27.5,474 0.688,475 36.224,476 0.906,477 45.067,478 0.593,479 44.421,480 1.111,481 10.15,482 0.254,483 9.113,484 0.228,485 0.144,487 0.313,493 0.857,494 1.676,495 0.818,496 1.316,497 0.644,498 1.088,499 0.913,500 0.925,501 0.881,502 0.891,503 0.557,504 0.88,505 1.211,506 1.209,507 1.056,508 1.072,509 1.006,510 1.045,511 0.918,512 1.114,513 0.85,514 0.94,515 1.041,516 0.878,517 1.354,518 0.918,519 1.034,520 0.773,521 1.564,522 0.81,523 1.225,524 1.118,525 1.059,526 1.099,527 1.125,528 1.06,529 1.283,530 0.996,531 1.234,532 1.022,533 1.283,534 1.102,535 0.29,536 1.131,537 1.053,538 1.433,539 0.405,540 1.405,541 9,542 0.173,543 3.556,544 2.25,545 1.649,546 1.562,547 0.991,548 0.608,549 0.389,550 0.443,551 29859,552 78106,553 2.036,554 47.4,556 27,559 3,561 6,564 1.795,565 1.905,566 4.05,567 0.806,573 122.119,574 1.607,575 3.674,576 4.708,577 5.024,578 5.129,579 5.208,580 3.537,581 4.734,582 5.289,583 4.311,584 3362.46,585 9.305,586 63658.2,591 474.842,592 1.406,593 5.251,594 0.209,595 0.005,596 0.061,597 0.039,598 0.029,599 0.027,600 0.017,601 0.011,602 0.008,603 0.012,604 0.42,605 0.33,606 0.75,607 1.375,608 232.494,609 -0.058,610 -0.366,611 0.059,612 -0.166,613 -0.061,614 -0.05,615 0.161,616 0.222,617 0.089,618 0.112,619 0.161,620 0.084,621 -0.144,622 -0.142,623 -0.082,624 -0.056,625 -0.085,626 -0.062,627 0.009,628 -0.112,629 0.14,630 0.013,631 0.033,632 0.092,633 -0.164,634 0.146,635 -0.018,636 0.147,637 -0.155,638 0.111,639 -0.11,640 -0.017,641 -0.091,642 -0.06,643 -0.068,644 -0.073,645 -0.197,646 0.107,647 -0.27,648 0.01,649 -0.2,650 -0.117,651 0.307,652 -0.076,653 -0.155,654 -0.311,655 0.254,656 -0.328,657 2.071,658 5.556,659 0.6,660 62.46,661 1.007,662 1.14,663 2.785,664 7.754,665 0.638,666 3.784,667 4.078,668 4.263,669 4.5,670 4.727,671 4.82,672 4.977,673 5.069,674 5.118,675 5.242,676 10.403,677 0.611,678 548.72,679 3.784,680 5.313,681 6.129,682 6.986,683 7.82,684 8.683,685 9.528,686 10.394,687 11.246,688 12.114,689 10.5,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 1,729 1,731 76,733 20,734 2,735 43,737 79,738 28,739 15,740 4,741 8,742 1,746 4,747 4,751 1,752 2,758 1,761 17,762 11,766 2,771 2,775 2,781 36,782 12,783 3,784 12,790 8,794 1,795 4,812 4,836 1,839 1,840 4,844 4,848 40,854 6,855 3,856 2,858 1,859 2,870 5.3,873 2,874 1,875 1,877 21,878 14.667,879 8.833,880 4.488,881 3.409,882 1.411,883 0.953,884 10.524,885 11.699,886 4.007,887 4.527,888 5.006,889 5.55,890 6.09,891 6.336,892 6.73,893 7.052,894 7.287,895 7.652,896 0.917,897 58,898 14.803,900 6.113,901 7.771,902 28.09,904 22.071,905 2.271,906 90.833,910 388.446,911 157.339,912 110.637,914 72.29,917 157.339,918 460.736,919 110.637,920 34.443,921 71.64,922 75.81,923 116.351,924 31.461,925 10.561,926 388.446,928 388.446,929 267.976,930 72.29,933 320.148,934 131.916,935 11,937 98.699,938 116.592,939 50.357,941 388.446,942 182.927,943 157.339,946 388.446,947 47.085,948 116.502,949 54.032,950 122.646,951 388.446,952 182.927,953 157.339,955 0.574,956 0.307,957 0.163,958 0.091,959 24,960 12,961 0.127,962 10,964 1,965 5.087,966 370.053,968 24,969 196.877,974 29.526,975 14.258,976 9.04,978 182.927,979 13.932,980 13.649,984 3.738,986 54.032,987 728.712,988 54,993 24.796,997 -0.561,999 76.494,1000 86.637,1001 0.257,1002 0.588,1003 0.754,1004 0.804,1005 0.821,1006 0.834,1007 5.239,1008 1.979,1009 6.098,1010 5.204,1011 4.762,1012 5.215,1013 2.559,1014 6.841,1015 4.651,1016 6.41,1017 1.855,1018 7.613,1019 5.105,1020 4.29,1021 4.924,1022 1.404,1023 7.582,1024 4.14,1025 7.685,1026 1.687,1027 9.222,1028 4.811,1029 6.293,1030 7.281,1031 2.822,1032 10.63,1033 6.079,1034 8.989,1035 1.49,1036 10.884,1037 4.145,1038 6.581,1039 7.754,1040 2.382,1041 12.174,1042 6.335,1043 10.322,1044 1.314,1045 12.582,1046 3.819,1047 8.069,1048 9.632,1049 3.421,1050 14.723,1051 7.767,1052 11.676,1053 1.047,1054 14.304,1055 3.651,1056 8.726,1057 10.483,1058 3.421,1059 16.627,1060 8.393,1061 13.046,1062 1,1063 16.044,1064 2.593,1065 9.984,1066 12.135,1067 4.226,1068 18.981,1069 9.601,1070 3.029,1071 1,1072 17.798,1073 2.275,1074 10.836,1075 13.195,1076 4.467,1077 21.056,1078 10.419,1079 2.835,1080 9.703,1081 19.563,1082 2.275,1083 11.986,1084 14.726,1085 5.139,1086 23.333,1087 11.524,1088 2.738,1089 8.657,1090 21.337,1091 4.035,1092 12.942,1093 15.909,1094 5.504,1095 25.491,1096 12.442,1097 2.59,1098 8.596,1099 23.118,1100 3.774,1101 14.044,1102 17.371,1103 6.102,1104 27.74,1105 13.501,1106 2.46,1107 7.601,1108 24.904,1109 3.579,1110 15.056,1111 18.63,1112 6.531,1113 29.941,1114 14.471,1115 2.331,1116 7.107,1117 26.696,1118 3.161,1119 16.138,1120 20.053,1121 7.088,1122 32.184,1123 15.51,1124 2.215,1125 6.823,1126 28.492,1127 3.005,1128 17.181,1129 21.357,1130 7.551,1131 34.407,1132 16.509,1133 28849,1134 46904,1135 28.433,1136 48.523,1137 63.716,1138 65.452,1139 64.472,1140 63.161,1141 63.12,1142 78.37,1143 12.563,1144 173.337,1145 59.662,1146 5.37,1147 5.568,1148 6.114,1149 5.06,1150 5.029,1151 7.035,1152 2.912,1153 16.18,1154 4.841,1155 22.591,1156 1.482,1157 1.522,1158 1.499,1159 1.469,1160 1.468,1161 1.823,1162 0.292,1163 4.031,1164 1.387,1165 4.011,1166 4.051,1167 3.969,1168 3.901,1169 7.432,1170 3.909,1171 3.928,1172 3.961,1173 3.882,1174 3.845,1175 7.428,1176 3.847,1177 3.815,1178 3.865,1179 3.748,1180 3.607,1181 5.125,1182 3.637,1183 3.693,1184 3.776,1185 3.565,1186 3.468,1187 4.741,1188 3.477,1189 3.663,1190 3.714,1191 3.551,1192 3.449,1193 4.7,1194 3.46,1195 3.539,1196 3.603,1197 3.429,1198 3.327,1199 4.618,1200 3.346,1201 3.447,1202 3.507,1203 3.352,1204 3.188,1205 4.457,1206 3.228,1207 3.316,1208 3.384,1209 3.214,1210 3.04,1211 4.349,1212 3.073,1213 0.102,1214 0.083,1215 0.147,1216 0.092,1217 0.07,1218 4.37,1219 0.094,1220 3.568,1221 0.039,1222 6.312,1223 0.226,1224 3.956,1225 0.066,1226 3.029,1227 4.035,1228 1.656,1229 9.703,1230 2.841,1231 1.932,1232 1.903,1233 2.023,1234 2.067,1235 1.198,1236 2.048,1237 1.905,1238 1.879,1239 2.003,1240 2.022,1241 1.139,1242 2.014,1243 1.732,1244 1.676,1245 1.92,1246 1.953,1247 1.102,1248 1.948,1249 1.642,1250 1.559,1251 1.894,1252 1.893,1253 1.075,1254 1.899,1255 1.614,1256 1.556,1257 1.887,1258 1.847,1259 1.053,1260 1.855,1261 1.457,1262 1.398,1263 1.619,1264 1.707,1265 0.825,1266 1.679,1267 1.341,1268 1.278,1269 1.542,1270 1.631,1271 0.727,1272 1.619,1273 1.219,1274 1.151,1275 1.513,1276 1.516,1277 0.497,1278 1.49,1279 4.466,1281 5.765,1283 7.241,1285 8.797,1287 10.399,1289 7.731,1295 3.915,1296 8.452,1297 11.224,1299 -0.084,1300 4.041,1305 46.406,1306 122.119,1307 279.236,1308 357.823,1309 381.823,1310 389.823,1311 395.823,1312 82.973,1313 8.29,1314 133.84,1315 133.84,1316 24,1317 12.662,1318 4.392,1319 3.585,1320 73.819,1321 253,1322 272,1323 0.14,1324 287.92,1325 504.94,1326 694.286,1327 55961,1329 28.485,1330 0.712,1331 0.583,1332 28.485,1333 23.308,1334 19.262,1335 0.448,1336 0.308,1337 12.97,1338 18.25,1339 12.583,1340 10.505,1341 19.262,1342 13.235,1343 17.561,1344 0.303,1345 0.169,1346 17.561,1347 9.801,1348 13.165,1349 0.188,1350 0.084,1351 13.165,1352 5.889,1353 10.975,1354 0.123,1355 0.043,1356 10.975,1357 3.839,1358 8.676,1359 0.077,1360 0.022,1361 8.676,1362 2.484,1363 0.23,1364 122.395,1365 0.188,1366 37,1367 0.354,1368 202,1369 642.166,1370 229.999,1371 608.267,1372 823.97,1373 570,1374 229,1375 600.146,1376 255.426,1377 603.511,1378 878.76,1379 564,1380 8.523}
{0 CHEMBL1808988,1 1.604,2 19.044,3 2.438,4 5.942,5 168.545,6 7.256,7 0.36,8 4.55,9 4.675,10 4.098,11 3.997,12 5.591,13 3.999,14 5.141,15 5.329,16 4.459,17 4.4,18 6.179,19 4.377,20 5.385,21 5.601,22 4.487,23 4.559,24 6.356,25 4.495,26 5.442,27 5.693,28 4.456,29 4.537,30 6.451,31 4.46,32 5.388,33 5.631,34 4.449,35 4.492,36 6.444,37 4.431,38 5.303,39 5.531,40 4.401,41 4.467,42 6.298,43 4.406,44 5.244,45 5.445,46 4.402,47 4.487,48 6.255,49 4.421,50 5.331,51 5.546,52 4.377,53 4.541,54 6.405,55 4.437,56 0.076,57 1.302,58 18.544,59 7.168,60 10.448,61 10.044,62 0.85,63 2.049,64 37.905,65 11.968,66 55.282,67 17.062,68 0.823,69 2.446,70 49.643,71 15.268,72 65.021,73 22.721,74 0.873,75 2.478,76 54.241,77 15.68,78 90.762,79 24.241,80 0.943,81 2.348,82 51.458,83 14.413,84 106.177,85 22.234,86 0.855,87 2.215,88 46.455,89 14.074,90 73.796,91 20.716,92 0.739,93 2.184,94 42.048,95 14.125,96 57.256,97 20.397,98 0.875,99 2.289,100 46.374,101 17.016,102 113.174,103 24.038,104 18,105 69,106 0.241,107 0.544,108 0.721,109 0.79,110 0.804,111 0.815,112 3.831,113 0.929,114 -4.07,115 -4.02,116 -3.8,119 37.6,121 3,124 2,125 8,127 2,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 10,178 2,179 1,180 4,183 9,186 2,187 8,192 4,195 4,198 4,199 19,204 6,207 2,211 4,212 10,217 4,220 4,223 1,224 11,227 4,229 2,232 9,236 4,237 4,245 10,249 4,250 6,253 7,255 2,258 10,263 5,271 4,275 4829,276 30.687,277 30.687,278 30.687,279 30.687,280 30.687,281 28.409,282 46.219,283 18.214,284 31.689,285 24.721,286 24.721,287 24.721,288 24.721,289 24.721,290 21.098,291 69.65,292 8.725,293 26.312,294 4.806,295 2.785,296 1.612,297 1.147,298 1.053,299 0.982,300 4.543,306 1891,307 4.183,310 147.872,311 884.795,318 3.11,319 48.296,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 99,331 857,332 4.371,333 3.694,334 6.396,335 3.974,336 3.031,337 4.035,338 1.656,339 9.707,340 2.934,341 4.268,342 3.562,343 6.313,344 3.958,345 2.994,346 3.802,347 1.2,348 9.685,349 2.839,350 4.051,351 3.233,352 6.022,353 3.706,354 2.753,355 3.58,356 0.86,357 8.657,358 2.612,359 3.902,360 3.027,361 5.913,362 3.669,363 2.714,364 3.219,365 0.86,366 8.149,367 2.575,368 3.757,369 2.971,370 5.583,371 3.562,372 2.62,373 3.029,374 0.86,375 7.671,376 2.479,377 3.703,378 2.827,379 5.547,380 3.513,381 2.59,382 2.857,383 0.8,384 7.564,385 2.362,386 3.659,387 2.59,388 5.362,389 3.36,390 2.401,391 2.752,392 0.8,393 6.984,394 2.297,395 3.416,396 2.525,397 5.152,398 3.102,399 2.169,400 2.586,401 0.293,402 6.177,403 2.026,404 3.309,405 2.355,406 5.053,407 3.001,408 2.056,409 2.402,410 0.247,411 6.078,412 1.921,413 3.138,414 2.3,415 4.637,416 2.797,417 1.812,418 2.256,420 4.963,421 1.769,422 2.925,423 2.266,424 4.431,425 2.629,426 1.743,427 2.002,428 4.414,429 1.537,430 2.742,431 1.873,432 4.198,433 2.286,434 1.352,435 1.821,436 3.706,437 1.261,438 2.527,439 1.806,440 3.918,441 2.257,442 1.299,443 1.5,445 3.11,446 1.232,447 2.5,448 1.496,449 3.539,450 2.003,451 1.136,452 1.5,454 2.618,455 1,456 2.5,457 1.407,458 3.494,459 2,460 1.042,461 1.459,463 2.506,464 1,465 20.867,466 0.464,467 1.023,468 0.023,469 54.75,470 1.217,471 23,472 0.511,473 31.75,474 0.706,475 44.256,476 0.983,477 50.533,478 0.595,479 48.724,480 1.083,481 10.724,482 0.238,483 11.183,484 0.249,485 0.08,487 0.321,493 0.839,494 1.659,495 0.791,496 1.314,497 0.606,498 1.078,499 1.026,500 0.966,501 0.944,502 0.922,503 0.615,504 0.918,505 1.072,506 1.204,507 1.039,508 1.079,509 0.878,510 1.055,511 0.94,512 1.042,513 0.931,514 0.959,515 1.175,516 0.936,517 1.059,518 1.014,519 0.945,520 0.899,521 1.447,522 0.89,523 1.097,524 0.913,525 0.995,526 0.902,527 1.067,528 0.919,529 0.922,530 1.115,531 1.05,532 1.111,533 0.828,534 1.101,535 0.637,536 1.026,537 1.038,538 1.227,539 0.89,540 1.221,541 9,542 0.253,543 4.444,544 2.722,545 1.906,546 1.611,547 1.061,548 0.608,549 0.37,550 0.432,551 44709,552 108798,553 2.133,554 47.1,556 32,559 2,562 6,564 1.822,565 2.03,566 4.146,567 0.159,573 136.311,574 1.604,575 3.624,576 4.797,577 5.262,578 5.356,579 5.427,580 3.59,581 4.72,582 5.462,583 4.415,584 4370.89,585 9.647,586 90368.1,591 544.798,592 1.277,593 5.438,594 0.18,595 0.006,596 0.064,597 0.039,598 0.029,599 0.024,600 0.017,601 0.01,602 0.006,603 0.009,604 0.384,605 0.33,606 0.63,607 0.554,608 270.499,609 -0.043,610 -0.363,611 0.078,612 -0.165,613 -0.02,614 -0.042,615 0.07,616 0.186,617 0.023,618 0.087,619 0.102,620 0.044,621 -0.08,622 -0.147,623 -0.07,624 -0.068,625 -0.018,626 -0.068,627 -0.024,628 -0.035,629 0.055,630 0.006,631 -0.014,632 0.042,633 -0.038,634 0.003,635 0.052,636 0.059,637 -0.084,638 0.074,639 -0.077,640 0.134,641 -0.013,642 0.085,643 -0.079,644 0.056,646 -0.015,647 -0.106,648 -0.063,649 -0.024,650 -0.095,651 0.184,652 0.022,653 -0.103,654 -0.158,655 0.17,656 -0.188,657 2.059,658 5.957,659 0.778,660 73.457,661 1.007,662 1.137,663 2.84,664 8.064,665 0.641,666 3.932,667 4.248,668 4.5,669 4.736,670 4.949,671 5.05,672 5.242,673 5.342,674 5.442,675 5.572,676 11.217,677 0.614,678 616.8,679 3.932,680 5.476,681 6.319,682 7.185,683 8.039,684 8.908,685 9.767,686 10.638,687 11.502,688 12.374,689 9.4,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 85,733 20,734 2,735 50,737 90,738 32,739 15,740 4,741 8,742 1,746 6,747 6,751 1,755 5,758 5,761 17,762 15,766 2,771 2,775 2,781 40,782 13,783 2,784 13,790 8,794 1,795 5,801 1,811 1,812 5,836 1,839 2,840 6,844 2,848 45,854 11,855 2,856 3,858 2,859 3,870 5.9,873 2,874 2,875 1,877 22.167,878 15.617,879 9.806,880 5.183,881 3.472,882 1.387,883 0.973,884 10.309,885 12.452,886 4.127,887 4.64,888 5.131,889 5.646,890 6.165,891 6.42,892 6.836,893 7.172,894 7.442,895 7.8,896 1,897 69,898 16.746,900 7.152,901 7.693,902 32.234,904 26.612,905 2.193,906 98.667,910 447.302,911 156.477,912 95.751,914 83.29,917 156.477,918 530.591,919 95.751,920 16.793,921 73.542,922 75.81,923 127.351,924 31.461,925 10.561,926 447.302,928 447.302,929 252.228,930 83.29,933 379.003,934 131.916,935 22,937 82.951,938 116.592,939 50.357,941 447.302,942 179.041,943 156.477,946 447.302,947 63.874,948 101.976,949 36.022,950 133.646,951 447.302,952 179.041,953 156.477,955 0.581,956 0.333,957 0.175,958 0.092,959 32,960 14,961 0.089,962 8,964 1,965 5.576,966 454.78,968 35,969 229.133,974 31.487,975 14.733,976 8.215,978 179.041,979 14.264,980 13.87,984 3.851,986 36.022,987 782.819,988 61,993 25.698,997 -0.374,999 85.589,1000 96.677,1001 0.25,1002 0.565,1003 0.748,1004 0.821,1005 0.836,1006 0.847,1007 5.382,1008 2.169,1009 6.29,1010 6.984,1011 4.934,1012 5.328,1013 2.711,1014 7.06,1015 4.82,1016 6.541,1017 2.056,1018 7.823,1019 6.177,1020 4.443,1021 5.007,1022 1.494,1023 7.847,1024 4.284,1025 7.818,1026 1.812,1027 9.451,1028 6.078,1029 6.497,1030 7.364,1031 2.94,1032 10.913,1033 6.278,1034 9.123,1035 1.743,1036 11.134,1037 4.963,1038 6.815,1039 7.841,1040 2.464,1041 12.503,1042 6.556,1043 10.46,1044 1.352,1045 12.852,1046 4.414,1047 8.311,1048 9.695,1049 3.505,1050 15.06,1051 7.998,1052 11.816,1053 1.299,1054 14.595,1055 3.706,1056 9.004,1057 10.551,1058 3.475,1059 16.994,1060 8.652,1061 13.189,1062 1.136,1063 16.354,1064 3.11,1065 10.263,1066 12.185,1067 4.28,1068 19.362,1069 9.863,1070 3.031,1071 1.042,1072 18.126,1073 2.618,1074 11.143,1075 13.249,1076 4.501,1077 21.459,1078 10.704,1079 2.994,1080 9.707,1081 19.908,1082 2.506,1083 12.296,1084 14.768,1085 5.171,1086 23.754,1087 11.813,1088 2.753,1089 9.685,1090 21.698,1091 4.035,1092 13.272,1093 15.954,1094 5.524,1095 25.931,1096 12.751,1097 2.714,1098 8.657,1099 23.494,1100 3.802,1101 14.378,1102 17.409,1103 6.12,1104 28.198,1105 13.817,1106 2.62,1107 8.149,1108 25.295,1109 3.58,1110 15.405,1111 18.669,1112 6.542,1113 30.415,1114 14.805,1115 2.59,1116 7.671,1117 27.102,1118 3.219,1119 16.493,1120 20.089,1121 7.098,1122 32.675,1123 15.855,1124 2.401,1125 7.564,1126 28.912,1127 3.029,1128 17.546,1129 21.394,1130 7.557,1131 34.913,1132 16.871,1133 41228,1134 64677,1135 34.096,1136 54.5,1137 74.835,1138 77.117,1139 75.426,1140 74.534,1141 74.475,1142 89.721,1143 15.152,1144 209.255,1145 70.242,1146 5.371,1147 5.694,1148 6.197,1149 5.102,1150 5.031,1151 7.035,1152 2.912,1153 16.467,1154 4.934,1155 19.789,1156 1.497,1157 1.542,1158 1.509,1159 1.491,1160 1.489,1161 1.794,1162 0.303,1163 4.185,1164 1.405,1165 4.025,1166 4.067,1167 3.978,1168 3.91,1169 7.432,1170 3.918,1171 3.946,1172 3.986,1173 3.897,1174 3.851,1175 7.427,1176 3.855,1177 3.847,1178 3.899,1179 3.765,1180 3.694,1181 5.126,1182 3.695,1183 3.816,1184 3.861,1185 3.719,1186 3.63,1187 4.742,1188 3.653,1189 3.768,1190 3.812,1191 3.652,1192 3.561,1193 4.711,1194 3.577,1195 3.594,1196 3.647,1197 3.519,1198 3.356,1199 4.656,1200 3.392,1201 3.494,1202 3.573,1203 3.41,1204 3.238,1205 4.602,1206 3.268,1207 3.387,1208 3.44,1209 3.285,1210 3.119,1211 4.389,1212 3.153,1213 0.087,1214 0.074,1215 0.128,1216 0.079,1217 0.061,1218 4.371,1219 0.081,1220 3.694,1221 0.033,1222 6.396,1223 0.194,1224 3.974,1225 0.059,1226 3.031,1227 4.035,1228 1.656,1229 9.707,1230 2.934,1231 1.935,1232 1.906,1233 2.06,1234 2.072,1235 1.411,1236 2.068,1237 1.915,1238 1.887,1239 2.017,1240 2.058,1241 1.198,1242 2.043,1243 1.816,1244 1.757,1245 1.982,1246 1.981,1247 1.176,1248 1.98,1249 1.731,1250 1.674,1251 1.918,1252 1.943,1253 1.104,1254 1.944,1255 1.585,1256 1.538,1257 1.814,1258 1.813,1259 1.087,1260 1.801,1261 1.457,1262 1.399,1263 1.728,1264 1.715,1265 0.835,1266 1.72,1267 1.425,1268 1.339,1269 1.591,1270 1.678,1271 0.825,1272 1.671,1273 1.291,1274 1.243,1275 1.524,1276 1.601,1277 0.825,1278 1.583,1279 4.615,1281 5.932,1282 2.398,1283 7.433,1284 4.443,1285 9.012,1286 6.26,1287 10.632,1289 4.162,1295 7.957,1296 5.681,1297 16.958,1299 0.419,1300 6.18,1305 52.174,1306 136.311,1307 308.082,1308 407.779,1309 447.288,1310 455.288,1311 461.288,1312 85.869,1313 8.98,1314 134.28,1315 134.28,1316 35,1317 12.917,1318 4.392,1319 3.585,1320 68.927,1321 309,1322 310,1323 0.105,1324 315.499,1325 558.21,1326 761.578,1327 134365,1329 31.175,1330 0.693,1331 0.573,1332 31.175,1333 25.776,1334 21.907,1335 0.438,1336 0.31,1337 15.174,1338 20.75,1339 14.875,1340 12.226,1341 21.907,1342 15.485,1343 19.794,1344 0.287,1345 0.169,1346 19.794,1347 11.665,1348 16.503,1349 0.185,1350 0.094,1351 16.503,1352 8.33,1353 13.621,1354 0.121,1355 0.05,1356 13.621,1357 5.647,1358 10.604,1359 0.076,1360 0.025,1361 10.604,1362 3.555,1363 0.174,1364 139.348,1365 0.171,1366 40.608,1367 0.267,1368 238,1369 727.214,1370 269.905,1371 681.38,1372 928.51,1373 642,1374 277,1375 676.261,1376 308.994,1377 677.086,1378 996.01,1379 635,1380 9}
{0 CHEMBL1808989,1 1.604,2 19.8,3 3.177,4 10.093,5 168.357,6 7.256,7 0.36,8 4.55,9 4.675,10 4.095,11 4.002,12 5.583,13 4.002,14 5.138,15 5.322,16 4.44,17 4.399,18 6.185,19 4.368,20 5.394,21 5.627,22 4.435,23 4.524,24 6.343,25 4.451,26 5.372,27 5.628,28 4.394,29 4.457,30 6.371,31 4.383,32 5.305,33 5.546,34 4.416,35 4.406,36 6.385,37 4.362,38 5.232,39 5.444,40 4.4,41 4.42,42 6.262,43 4.377,44 5.258,45 5.46,46 4.414,47 4.485,48 6.291,49 4.429,50 5.332,51 5.54,52 4.403,53 4.575,54 6.41,55 4.47,56 0.085,57 1.3,58 18.565,59 7.201,60 9.675,61 10.052,62 0.811,63 2.041,64 37.549,65 12.242,66 56.596,67 17.327,68 0.904,69 2.396,70 51.173,71 15.286,72 69.988,73 23.015,74 0.781,75 2.319,76 50.673,77 14.252,78 81.898,79 22.496,80 0.956,81 2.189,82 47.379,83 12.389,84 97.441,85 19.547,86 0.728,87 2.114,88 42.517,89 12.908,90 65.424,91 18.809,92 0.867,93 2.188,94 43.263,95 13.751,96 68.615,97 19.816,98 0.804,99 2.325,100 45.768,101 17.709,102 108.576,103 24.685,104 5,105 67,106 0.241,107 0.539,108 0.703,109 0.811,110 0.825,111 0.835,112 3.831,113 0.943,114 -4.07,115 -4.02,116 -3.8,119 37.6,121 4,125 10,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 10,174 7,175 7,178 3,179 1,180 5,183 9,186 2,187 7,190 1,192 6,195 4,198 3,199 15,204 8,211 5,212 11,217 6,224 12,227 3,228 1,229 3,232 5,236 4,237 6,245 12,249 3,250 5,253 7,254 1,258 15,263 5,266 1,271 10,275 5030,276 31.101,277 31.101,278 31.101,279 31.101,280 31.101,281 28.799,282 43.559,283 18.883,284 32.062,285 24.786,286 24.786,287 24.786,288 24.786,289 24.786,290 21.135,291 60.161,292 9.11,293 26.316,294 4.806,295 2.822,296 1.73,297 1.012,298 0.918,299 0.847,300 4.546,306 1972,307 4.123,310 148.231,311 898.347,318 3.333,319 48.211,322 0.5,323 0.33,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.59,330 99,331 891,332 4.371,333 3.568,334 6.313,335 3.958,336 3.031,337 4.035,338 1.656,339 9.707,340 2.841,341 4.196,342 3.55,343 6.03,344 3.833,345 2.835,346 3.774,347 1.058,348 8.657,349 2.827,350 4.047,351 3.233,352 6.022,353 3.692,354 2.739,355 3.579,356 0.86,357 8.596,358 2.584,359 3.852,360 3.027,361 5.573,362 3.55,363 2.616,364 3.161,365 0.86,366 7.645,367 2.471,368 3.711,369 2.831,370 5.539,371 3.511,372 2.575,373 3.005,374 0.86,375 7.538,376 2.362,377 3.655,378 2.827,379 5.34,380 3.445,381 2.515,382 2.855,383 0.8,384 6.967,385 2.337,386 3.518,387 2.578,388 5.31,389 3.321,390 2.357,391 2.565,392 0.8,393 6.871,394 2.267,395 3.387,396 2.519,397 5.056,398 3.073,399 2.148,400 2.515,401 0.247,402 6.119,403 1.982,404 3.289,405 2.351,406 4.66,407 2.881,408 1.892,409 2.397,411 5.053,412 1.848,413 2.927,414 2.266,415 4.432,416 2.631,417 1.745,418 2.009,420 4.42,421 1.575,422 2.869,423 1.895,424 4.215,425 2.592,426 1.616,427 1.923,428 3.904,429 1.537,430 2.74,431 1.806,432 4.174,433 2.394,434 1.415,435 1.816,436 3.688,437 1.379,438 2.537,439 1.68,440 3.647,441 2.27,442 1.34,443 1.526,445 3.14,446 1.239,447 2.5,448 1.496,449 3.494,450 2.003,451 1.136,452 1.5,454 2.618,455 1,456 2.5,457 1.387,458 3.417,459 2,460 1.042,461 1.5,463 2.506,464 1,465 20.867,466 0.464,467 0.844,468 0.019,469 54.5,470 1.211,471 23,472 0.511,473 31.5,474 0.7,475 43.377,476 0.964,477 50.533,478 0.595,479 47.27,480 1.05,481 10.543,482 0.234,483 11.542,484 0.256,485 0.032,487 0.278,493 0.849,494 1.603,495 0.798,496 1.284,497 0.599,498 1.061,499 0.992,500 1.049,501 0.983,502 1.029,503 0.607,504 1.012,505 1.052,506 1.113,507 1.006,508 1.005,509 0.866,510 0.997,511 0.905,512 1.103,513 0.897,514 0.962,515 1.027,516 0.921,517 1.106,518 0.991,519 0.941,520 0.832,521 1.404,522 0.834,523 1.185,524 1.023,525 1.019,526 0.976,527 1.142,528 0.96,529 1.119,530 1.011,531 1.093,532 0.999,533 1.203,534 1.029,535 0.56,536 1.045,537 1.03,538 1.285,539 0.786,540 1.264,541 8,542 0.199,543 3.556,544 2.16,545 1.515,546 1.479,547 0.981,548 0.544,549 0.292,550 0.413,551 46377,552 111298,553 2.161,554 47.1,555 2,556 29,559 3,561 4,562 2,564 1.822,565 2.093,566 4.189,567 0.748,573 136.311,574 1.604,575 3.587,576 4.68,577 5.398,578 5.492,579 5.562,580 3.633,581 4.764,582 5.459,583 4.461,584 4416.05,585 9.644,586 92822.4,591 544.798,592 1.079,593 5.453,594 0.16,595 0.005,596 0.053,597 0.033,598 0.024,599 0.023,600 0.015,601 0.008,602 0.005,603 0.008,604 0.335,605 0.33,606 0.63,607 0.322,608 271.642,609 -0.053,610 -0.307,611 0.071,612 -0.134,613 -0.011,614 -0.025,615 0.083,616 0.102,617 -0.025,618 -0.005,619 0.112,620 -0.04,621 -0.057,622 -0.094,623 -0.023,624 -0.015,625 -0.005,626 -0.015,627 -0.012,628 -0.096,629 0.089,630 -0.005,631 0.024,632 0.054,633 -0.031,634 0.052,635 0.066,636 0.099,637 -0.057,638 0.107,639 -0.115,640 0.059,641 -0.041,642 0.019,643 -0.095,644 0.009,645 -0.071,646 0.084,647 -0.128,648 0.024,649 -0.123,650 -0.045,651 0.208,652 0.015,653 -0.11,654 -0.189,655 0.197,656 -0.213,657 2.064,658 5.695,659 0.778,660 78.42,661 1.007,662 1.137,663 2.84,664 8.064,665 0.641,666 3.932,667 4.22,668 4.454,669 4.691,670 4.89,671 4.956,672 5.142,673 5.273,674 5.38,675 5.517,676 11.552,677 0.614,678 616.8,679 3.932,680 5.46,681 6.29,682 7.143,683 7.984,684 8.842,685 9.69,686 10.552,687 11.404,688 12.268,689 9.4,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 1,729 1,731 85,733 20,734 2,735 50,737 90,738 32,739 15,740 4,741 8,742 1,746 6,747 6,751 1,755 5,758 5,761 17,762 15,766 2,771 2,775 2,781 40,782 13,783 3,784 13,790 8,794 1,795 5,801 1,811 1,812 5,836 1,839 2,840 6,848 45,854 14,855 3,856 3,858 1,859 2,870 5.9,873 2,874 2,875 1,877 21.5,878 14.833,879 9.917,880 5.371,881 3.459,882 1.39,883 0.982,884 10.969,885 12.338,886 4.127,887 4.62,888 5.101,889 5.621,890 6.138,891 6.38,892 6.787,893 7.127,894 7.396,895 7.763,896 0.923,897 65,898 16.747,900 7.131,901 7.685,902 32.328,904 26.621,905 2.185,906 98.333,910 435.531,911 146.43,912 110.637,914 83.29,917 146.43,918 518.82,919 110.637,921 95.174,922 75.81,923 127.351,924 31.461,925 10.561,926 435.531,928 435.531,929 257.067,930 83.29,933 367.232,934 131.916,935 22,937 104.583,938 99.799,939 50.357,941 435.531,942 193.927,943 146.43,946 435.531,947 70.62,948 82.059,949 54.032,950 133.646,951 435.531,952 193.927,953 146.43,955 0.571,956 0.324,957 0.174,958 0.091,959 30,960 12,961 0.111,962 10,964 1,965 5.714,966 445.406,968 35,969 231.133,974 31.487,975 15.676,976 9.041,978 193.927,979 14.102,980 13.859,984 3.773,986 54.032,987 775.888,988 61,993 25.22,997 -0.518,999 85.589,1000 96.677,1001 0.25,1002 0.56,1003 0.73,1004 0.842,1005 0.857,1006 0.868,1007 5.364,1008 2.148,1009 6.236,1010 6.871,1011 4.905,1012 5.308,1013 2.667,1014 6.973,1015 4.794,1016 6.505,1017 1.892,1018 7.741,1019 6.119,1020 4.29,1021 4.924,1022 1.404,1023 7.67,1024 4.14,1025 7.77,1026 1.745,1027 9.34,1028 5.053,1029 6.428,1030 7.333,1031 2.885,1032 10.744,1033 6.211,1034 9.064,1035 1.616,1036 10.996,1037 4.42,1038 6.648,1039 7.776,1040 2.382,1041 12.273,1042 6.394,1043 10.391,1044 1.415,1045 12.689,1046 3.904,1047 8.196,1048 9.66,1049 3.447,1050 14.816,1051 7.884,1052 11.74,1053 1.34,1054 14.408,1055 3.688,1056 8.817,1057 10.499,1058 3.421,1059 16.706,1060 8.467,1061 13.106,1062 1.136,1063 16.144,1064 3.14,1065 10.102,1066 12.149,1067 4.235,1068 19.051,1069 9.701,1070 3.031,1071 1.042,1072 17.894,1073 2.618,1074 10.931,1075 13.205,1076 4.467,1077 21.114,1078 10.491,1079 2.835,1080 9.707,1081 19.655,1082 2.506,1083 12.092,1084 14.733,1085 5.141,1086 23.383,1087 11.605,1088 2.739,1089 8.657,1090 21.423,1091 4.035,1092 13.033,1093 15.915,1094 5.504,1095 25.533,1096 12.504,1097 2.616,1098 8.596,1099 23.199,1100 3.774,1101 14.137,1102 17.375,1103 6.102,1104 27.776,1105 13.565,1106 2.575,1107 7.645,1108 24.98,1109 3.579,1110 15.138,1111 18.633,1112 6.531,1113 29.971,1114 14.522,1115 2.515,1116 7.538,1117 26.766,1118 3.161,1119 16.219,1120 20.055,1121 7.088,1122 32.209,1123 15.56,1124 2.357,1125 6.967,1126 28.556,1127 3.005,1128 17.253,1129 21.359,1130 7.551,1131 34.429,1132 16.549,1133 42540,1134 66302,1135 34.671,1136 54.5,1137 73.446,1138 75.814,1139 73.66,1140 73.278,1141 73.261,1142 88.509,1143 14.283,1144 199.818,1145 69.225,1146 5.371,1147 5.568,1148 6.115,1149 5.086,1150 5.031,1151 7.035,1152 2.912,1153 16.184,1154 4.841,1155 13.461,1156 1.469,1157 1.516,1158 1.473,1159 1.466,1160 1.465,1161 1.77,1162 0.286,1163 3.996,1164 1.385,1165 4.019,1166 4.06,1167 3.974,1168 3.904,1169 7.432,1170 3.912,1171 3.931,1172 3.967,1173 3.883,1174 3.845,1175 7.428,1176 3.848,1177 3.854,1178 3.917,1179 3.76,1180 3.696,1181 5.126,1182 3.693,1183 3.823,1184 3.867,1185 3.714,1186 3.63,1187 4.742,1188 3.653,1189 3.768,1190 3.812,1191 3.652,1192 3.561,1193 4.712,1194 3.577,1195 3.598,1196 3.652,1197 3.523,1198 3.359,1199 4.656,1200 3.394,1201 3.542,1202 3.609,1203 3.446,1204 3.33,1205 4.602,1206 3.343,1207 3.392,1208 3.44,1209 3.302,1210 3.135,1211 4.351,1212 3.176,1213 0.087,1214 0.071,1215 0.126,1216 0.079,1217 0.061,1218 4.371,1219 0.081,1220 3.568,1221 0.033,1222 6.313,1223 0.194,1224 3.958,1225 0.057,1226 3.031,1227 4.035,1228 1.656,1229 9.707,1230 2.841,1231 1.932,1232 1.903,1233 2.062,1234 2.066,1235 1.413,1236 2.052,1237 1.905,1238 1.88,1239 2.022,1240 2.038,1241 1.198,1242 2.042,1243 1.83,1244 1.764,1245 2,1246 2.004,1247 1.176,1248 2.004,1249 1.731,1250 1.675,1251 1.918,1252 1.95,1253 1.111,1254 1.946,1255 1.585,1256 1.538,1257 1.814,1258 1.814,1259 1.096,1260 1.801,1261 1.504,1262 1.433,1263 1.76,1264 1.746,1265 1.034,1266 1.751,1267 1.453,1268 1.394,1269 1.591,1270 1.679,1271 0.825,1272 1.671,1273 1.291,1274 1.245,1275 1.524,1276 1.601,1277 0.825,1278 1.583,1279 4.615,1281 5.911,1282 2.398,1283 7.39,1284 4.443,1285 8.948,1286 6.26,1287 10.547,1295 11.962,1296 8.633,1297 16.95,1299 -0.092,1300 4.444,1305 52.174,1306 136.311,1307 304.897,1308 397.779,1309 458.798,1310 466.798,1311 472.798,1312 83.141,1313 8.879,1314 143.07,1315 143.07,1316 35,1317 12.818,1318 4.392,1319 3.585,1320 68.943,1321 316,1322 339,1323 0.102,1324 315.499,1325 558.21,1326 761.578,1327 123243,1329 30.849,1330 0.686,1331 0.564,1332 30.849,1333 25.373,1334 22.086,1335 0.442,1336 0.314,1337 15.417,1338 20.965,1339 15.228,1340 12.482,1341 22.086,1342 15.712,1343 19.428,1344 0.29,1345 0.169,1346 19.428,1347 11.336,1348 16.058,1349 0.189,1350 0.094,1351 16.058,1352 8.025,1353 13.382,1354 0.124,1355 0.051,1356 13.382,1357 5.501,1358 10.424,1359 0.079,1360 0.027,1361 10.424,1362 3.522,1363 0.17,1364 140.168,1365 0.17,1366 40.865,1367 0.257,1368 234,1369 717.902,1370 265.544,1371 671.832,1372 915.17,1373 634,1374 269,1375 664.487,1376 299.857,1377 661.898,1378 974.36,1379 624,1380 8.854}
{0 CHEMBL1808990,1 1.618,2 19.068,3 2.721,4 7.402,5 163.756,6 7.351,7 0.367,8 4.519,9 4.643,10 4.076,11 3.969,12 5.563,13 3.974,14 5.105,15 5.286,16 4.424,17 4.365,18 6.166,19 4.341,20 5.345,21 5.576,22 4.392,23 4.472,24 6.311,25 4.402,26 5.304,27 5.555,28 4.37,29 4.396,30 6.333,31 4.334,32 5.244,33 5.475,34 4.399,35 4.36,36 6.357,37 4.328,38 5.185,39 5.391,40 4.381,41 4.387,42 6.235,43 4.35,44 5.218,45 5.411,46 4.398,47 4.457,48 6.267,49 4.405,50 5.303,51 5.51,52 4.371,53 4.549,54 6.379,55 4.442,56 0.097,57 1.262,58 17.615,59 6.876,60 9.507,61 9.515,62 0.821,63 1.979,64 35.888,65 11.674,66 55.814,67 16.384,68 0.918,69 2.279,70 48.552,71 14.432,72 68.778,73 21.565,74 0.774,75 2.183,76 47.114,77 13.163,78 79.939,79 20.649,80 0.948,81 2.093,82 44.028,83 11.393,84 94.459,85 17.795,86 0.735,87 2.035,88 40.086,89 12.278,90 63.675,91 17.607,92 0.854,93 2.118,94 40.872,95 13.26,96 66.105,97 18.803,98 0.811,99 2.268,100 44.032,101 17.193,102 107.185,103 23.899,104 5,105 66,106 0.245,107 0.548,108 0.706,109 0.806,110 0.821,111 0.832,112 3.809,113 0.931,114 -3.88,115 -3.84,116 -3.64,119 37.8,121 3,125 10,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 9,174 7,175 7,178 3,179 1,180 5,183 8,186 2,187 6,190 1,192 6,195 4,198 3,199 15,204 8,211 5,212 11,217 6,224 12,227 3,228 1,229 2,232 5,236 4,237 6,245 12,249 3,250 4,253 7,254 1,258 14,263 5,266 1,271 8,275 4690,276 30.394,277 30.394,278 30.394,279 30.394,280 30.394,281 28.091,282 43.559,283 18.383,284 31.355,285 24.286,286 24.286,287 24.286,288 24.286,289 24.286,290 20.635,291 60.161,292 8.86,293 25.816,294 4.739,295 2.734,296 1.689,297 1.024,298 0.927,299 0.854,300 4.523,306 1861,307 4.123,310 309.449,311 682.739,318 3.205,319 47.862,322 0.5,323 0.33,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.59,330 97,331 839,332 4.371,333 3.568,334 6.313,335 3.958,336 3.031,337 4.035,338 1.656,339 9.707,340 2.841,341 4.196,342 3.55,343 6.03,344 3.833,345 2.835,346 3.774,347 1.058,348 8.657,349 2.827,350 4.047,351 3.233,352 6.022,353 3.692,354 2.739,355 3.579,356 0.86,357 8.596,358 2.584,359 3.852,360 3.027,361 5.573,362 3.55,363 2.616,364 3.161,365 0.86,366 7.645,367 2.471,368 3.711,369 2.848,370 5.539,371 3.511,372 2.577,373 3.005,374 0.86,375 7.538,376 2.362,377 3.655,378 2.827,379 5.353,380 3.465,381 2.533,382 2.855,383 0.8,384 6.998,385 2.354,386 3.538,387 2.578,388 5.31,389 3.322,390 2.358,391 2.568,392 0.8,393 6.872,394 2.268,395 3.388,396 2.519,397 5.056,398 3.073,399 2.148,400 2.533,401 0.247,402 6.119,403 1.982,404 3.289,405 2.351,406 4.66,407 2.881,408 1.891,409 2.397,411 5.053,412 1.848,413 2.927,414 2.266,415 4.432,416 2.63,417 1.745,418 2.009,420 4.42,421 1.539,422 2.868,423 1.895,424 4.215,425 2.545,426 1.575,427 1.923,428 3.903,429 1.521,430 2.74,431 1.806,432 4.174,433 2.283,434 1.349,435 1.816,436 3.687,437 1.262,438 2.5,439 1.639,440 3.546,441 2.249,442 1.263,443 1.5,445 2.822,446 1.23,447 2.5,448 1.496,449 3.494,450 2.003,451 1.135,452 1.5,454 2.618,455 1,456 2.402,457 1.277,458 3.417,459 2,460 1.042,461 1.375,463 2.506,464 1,465 20.367,466 0.463,467 0.844,468 0.019,469 54,470 1.227,471 23,472 0.523,473 31,474 0.705,475 41.253,476 0.938,477 49.233,478 0.6,479 46.711,480 1.062,481 10.543,482 0.24,483 11.042,484 0.251,485 0.033,487 0.285,493 0.852,494 1.605,495 0.785,496 1.278,497 0.601,498 1.049,499 0.999,500 1.036,501 0.976,502 1.012,503 0.61,504 0.997,505 1.071,506 1.113,507 1.025,508 1.013,509 0.885,510 1.009,511 0.92,512 1.104,513 0.872,514 0.94,515 1.066,516 0.891,517 1.151,518 1.015,519 0.969,520 0.842,521 1.462,522 0.846,523 1.204,524 1.007,525 1.031,526 0.971,527 1.164,528 0.96,529 1.113,530 1.035,531 1.104,532 1.03,533 1.211,534 1.055,535 0.535,536 1.041,537 1.04,538 1.294,539 0.719,540 1.282,541 8,542 0.188,543 3.556,544 2.194,545 1.489,546 1.469,547 0.947,548 0.541,549 0.28,550 0.411,551 43427,552 106478,553 2.165,554 46.3,556 29,559 3,561 4,562 2,564 1.817,565 2.095,566 4.14,567 0.763,573 132.708,574 1.618,575 3.624,576 4.668,577 5.333,578 5.431,579 5.504,580 3.581,581 4.698,582 5.427,583 4.42,584 4181.39,585 9.581,586 85911.2,591 521.319,592 1.091,593 5.42,594 0.163,595 0.005,596 0.054,597 0.035,598 0.024,599 0.023,600 0.015,601 0.008,602 0.005,603 0.009,604 0.342,605 0.33,606 0.63,607 0.327,608 263.467,609 -0.059,610 -0.315,611 0.071,612 -0.138,613 -0.015,614 -0.026,615 0.075,616 0.113,617 -0.024,618 0.006,619 0.107,620 -0.033,621 -0.068,622 -0.097,623 -0.042,624 -0.026,625 -0.013,626 -0.029,627 -0.012,628 -0.096,629 0.116,630 0.016,631 0.016,632 0.083,633 -0.055,634 0.046,635 0.034,636 0.086,637 -0.081,638 0.086,639 -0.132,640 0.081,641 -0.059,642 0.026,643 -0.11,644 0.005,645 -0.075,646 0.063,647 -0.15,648 0.001,649 -0.132,650 -0.072,651 0.208,652 0.016,653 -0.128,654 -0.199,655 0.197,656 -0.232,657 2.065,658 5.67,659 0.773,660 74.826,661 1.009,662 1.137,663 2.652,664 7.033,665 0.643,666 3.912,667 4.205,668 4.443,669 4.682,670 4.844,671 4.942,672 5.13,673 5.263,674 5.371,675 5.501,676 11.25,677 0.618,678 602.77,679 3.912,680 5.442,681 6.275,682 7.13,683 7.973,684 8.833,685 9.683,686 10.545,687 11.399,688 12.264,689 9.8,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 1,729 1,731 82,733 20,734 2,735 49,737 87,738 31,739 15,740 4,741 8,742 1,746 6,747 6,751 1,755 4,758 4,761 17,762 14,766 2,771 2,775 2,781 38,782 13,783 3,784 13,790 8,794 1,795 5,801 1,808 1,811 2,812 4,836 1,839 2,840 6,848 44,854 13,855 3,856 3,858 1,859 2,870 6.1,873 2,874 2,875 1,877 21,878 14.333,879 9.667,880 5.121,881 3.451,882 1.392,883 0.984,884 10.403,885 12.254,886 4.111,887 4.61,888 5.095,889 5.617,890 6.125,891 6.376,892 6.785,893 7.126,894 7.394,895 7.76,896 1,897 62,898 16.366,900 6.987,901 7.701,902 31.512,904 25.955,905 2.201,906 96.833,910 411.989,911 143.895,912 110.637,914 83.29,917 143.895,918 495.278,919 110.637,921 92.64,922 75.81,923 127.351,924 31.461,925 10.561,926 411.989,928 411.989,929 254.533,930 83.29,933 343.69,934 131.916,935 22,937 102.049,938 99.799,939 50.357,941 411.989,942 193.927,943 143.895,946 411.989,947 68.085,948 82.059,949 54.032,950 133.646,951 411.989,952 193.927,953 143.895,955 0.573,956 0.325,957 0.175,958 0.087,959 30,960 12,961 0.115,962 10,964 1,965 5.634,966 433.957,968 34,969 224.215,974 30.529,975 14.993,976 8.58,978 193.927,979 14.078,980 13.85,984 3.768,986 54.032,987 749.811,988 60,993 25.127,997 -0.522,999 82.705,1000 93.261,1001 0.255,1002 0.57,1003 0.734,1004 0.839,1005 0.854,1006 0.866,1007 5.349,1008 2.148,1009 6.225,1010 6.872,1011 4.89,1012 5.298,1013 2.667,1014 6.965,1015 4.777,1016 6.495,1017 1.891,1018 7.732,1019 6.119,1020 4.29,1021 4.924,1022 1.404,1023 7.67,1024 4.14,1025 7.762,1026 1.745,1027 9.334,1028 5.053,1029 6.418,1030 7.329,1031 2.885,1032 10.742,1033 6.199,1034 9.059,1035 1.575,1036 10.992,1037 4.42,1038 6.661,1039 7.78,1040 2.382,1041 12.276,1042 6.407,1043 10.389,1044 1.349,1045 12.687,1046 3.903,1047 8.191,1048 9.659,1049 3.447,1050 14.816,1051 7.876,1052 11.739,1053 1.263,1054 14.407,1055 3.687,1056 8.83,1057 10.501,1058 3.421,1059 16.709,1060 8.48,1061 13.106,1062 1.135,1063 16.144,1064 2.822,1065 10.1,1066 12.149,1067 4.235,1068 19.051,1069 9.697,1070 3.031,1071 1.042,1072 17.895,1073 2.618,1074 10.941,1075 13.206,1076 4.467,1077 21.116,1078 10.5,1079 2.835,1080 9.707,1081 19.655,1082 2.506,1083 12.094,1084 14.733,1085 5.141,1086 23.384,1087 11.604,1088 2.739,1089 8.657,1090 21.424,1091 4.035,1092 13.041,1093 15.915,1094 5.504,1095 25.534,1096 12.511,1097 2.616,1098 8.596,1099 23.2,1100 3.774,1101 14.14,1102 17.375,1103 6.102,1104 27.777,1105 13.566,1106 2.577,1107 7.645,1108 24.981,1109 3.579,1110 15.144,1111 18.633,1112 6.531,1113 29.972,1114 14.527,1115 2.533,1116 7.538,1117 26.767,1118 3.161,1119 16.223,1120 20.055,1121 7.088,1122 32.21,1123 15.561,1124 2.358,1125 6.998,1126 28.557,1127 3.005,1128 17.258,1129 21.359,1130 7.551,1131 34.43,1132 16.553,1133 39745,1134 62572,1135 33.978,1136 52.739,1137 71.97,1138 74.318,1139 72.087,1140 71.997,1141 71.961,1142 87.213,1143 14.283,1144 197.225,1145 67.923,1146 5.371,1147 5.568,1148 6.115,1149 5.086,1150 5.031,1151 7.035,1152 2.912,1153 16.184,1154 4.841,1155 13.284,1156 1.469,1157 1.517,1158 1.471,1159 1.469,1160 1.469,1161 1.78,1162 0.291,1163 4.025,1164 1.386,1165 4.018,1166 4.059,1167 3.974,1168 3.904,1169 7.432,1170 3.912,1171 3.931,1172 3.968,1173 3.883,1174 3.845,1175 7.428,1176 3.848,1177 3.853,1178 3.917,1179 3.76,1180 3.687,1181 5.126,1182 3.687,1183 3.823,1184 3.867,1185 3.718,1186 3.63,1187 4.742,1188 3.653,1189 3.768,1190 3.812,1191 3.652,1192 3.561,1193 4.712,1194 3.577,1195 3.597,1196 3.65,1197 3.522,1198 3.357,1199 4.656,1200 3.393,1201 3.528,1202 3.594,1203 3.44,1204 3.309,1205 4.601,1206 3.325,1207 3.381,1208 3.431,1209 3.289,1210 3.124,1211 4.36,1212 3.163,1213 0.089,1214 0.073,1215 0.129,1216 0.081,1217 0.062,1218 4.371,1219 0.082,1220 3.568,1221 0.034,1222 6.313,1223 0.198,1224 3.958,1225 0.058,1226 3.031,1227 4.035,1228 1.656,1229 9.707,1230 2.841,1231 1.932,1232 1.903,1233 2.023,1234 2.066,1235 1.211,1236 2.048,1237 1.905,1238 1.879,1239 2.002,1240 2.021,1241 1.198,1242 2.013,1243 1.731,1244 1.675,1245 1.918,1246 1.952,1247 1.176,1248 1.947,1249 1.626,1250 1.549,1251 1.86,1252 1.866,1253 1.171,1254 1.868,1255 1.585,1256 1.538,1257 1.856,1258 1.812,1259 1.103,1260 1.801,1261 1.577,1262 1.507,1263 1.814,1264 1.751,1265 1.083,1266 1.793,1267 1.455,1268 1.398,1269 1.592,1270 1.687,1271 0.825,1272 1.674,1273 1.329,1274 1.276,1275 1.564,1276 1.618,1277 0.823,1278 1.595,1279 4.595,1281 5.894,1282 3.045,1283 7.37,1284 5.13,1285 8.924,1286 6.952,1287 10.521,1295 10.67,1296 8.602,1297 16.94,1299 -0.092,1300 4.412,1305 50.647,1306 132.708,1307 297.163,1308 382.79,1309 437.319,1310 445.319,1311 451.319,1312 79.789,1313 8.802,1314 143.07,1315 143.07,1316 34,1317 12.813,1318 4.392,1319 3.585,1320 66.604,1321 301,1322 312,1323 0.104,1324 305.907,1325 540.91,1326 738.173,1327 110299,1329 30.141,1330 0.685,1331 0.561,1332 30.141,1333 24.666,1334 21.586,1335 0.441,1336 0.31,1337 14.917,1338 20.465,1339 14.737,1340 12.066,1341 21.586,1342 15.212,1343 19.074,1344 0.289,1345 0.166,1346 19.074,1347 10.983,1348 15.808,1349 0.188,1350 0.093,1351 15.808,1352 7.775,1353 13.205,1354 0.123,1355 0.05,1356 13.205,1357 5.324,1358 9.811,1359 0.078,1360 0.024,1361 9.811,1362 3.047,1363 0.172,1364 137.168,1365 0.172,1366 40.095,1367 0.262,1368 230,1369 713.902,1370 261.544,1371 667.671,1372 909.41,1373 630,1374 265,1375 660.487,1376 295.857,1377 657.736,1378 968.6,1379 620,1380 8.854}
{0 CHEMBL1808991,1 1.634,2 18.233,3 2.284,4 5.218,5 159.144,6 7.452,7 0.375,8 4.487,9 4.609,10 4.058,11 3.93,12 5.545,13 3.941,14 5.072,15 5.255,16 4.417,17 4.327,18 6.139,19 4.315,20 5.303,21 5.516,22 4.429,23 4.473,24 6.303,25 4.418,26 5.326,27 5.571,28 4.391,29 4.422,30 6.377,31 4.361,32 5.244,33 5.474,34 4.405,35 4.368,36 6.372,37 4.338,38 5.145,39 5.333,40 4.367,41 4.389,42 6.214,43 4.349,44 5.215,45 5.421,46 4.342,47 4.434,48 6.219,49 4.368,50 5.254,51 5.471,52 4.312,53 4.478,54 6.302,55 4.369,56 0.103,57 1.225,58 16.628,59 6.522,60 9.207,61 8.971,62 0.867,63 1.92,64 34.577,65 10.825,66 52.537,67 15.163,68 0.888,69 2.253,70 45.25,71 13.873,72 61.608,73 20.23,74 0.839,75 2.219,76 47.938,77 13.753,78 86.734,79 21.055,80 1.015,81 2.078,82 44.057,83 11.669,84 100.266,85 17.768,86 0.679,87 2.01,88 37.07,89 12.263,90 59.069,91 17.055,92 0.864,93 2.096,94 40.802,95 13.272,96 63.182,97 19.046,98 0.776,99 2.153,100 41.851,101 16.028,102 92.118,103 22.684,104 10,105 66,106 0.249,107 0.55,108 0.709,109 0.796,110 0.812,111 0.823,112 3.787,113 0.912,114 -3.69,115 -3.66,116 -3.48,119 38,121 1,124 1,125 10,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 6,178 2,179 1,180 4,183 8,186 3,187 8,192 4,195 4,198 3,199 17,204 6,211 5,212 11,217 4,224 12,227 4,229 2,232 5,236 4,237 4,245 10,249 4,250 4,253 7,258 10,263 5,266 1,271 4,275 4179,276 29.48,277 29.48,278 29.48,279 29.48,280 29.48,281 27.202,282 42.131,283 17.579,284 30.491,285 23.753,286 23.753,287 23.753,288 23.753,289 23.753,290 20.13,291 60.079,292 8.466,293 25.355,294 4.67,295 2.69,296 1.643,297 1.073,298 0.972,299 0.896,300 4.501,306 1740,307 3.808,310 139.198,311 834.599,318 2.961,319 47.459,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 95,331 784,332 4.371,333 3.695,334 6.393,335 3.965,336 3.031,337 4.035,338 1.656,339 9.707,340 2.928,341 4.267,342 3.562,343 6.313,344 3.957,345 2.984,346 3.801,347 1.2,348 9.676,349 2.839,350 4.051,351 3.233,352 6.022,353 3.699,354 2.748,355 3.58,356 0.86,357 8.657,358 2.591,359 3.896,360 3.027,361 5.585,362 3.587,363 2.636,364 3.217,365 0.86,366 7.678,367 2.502,368 3.732,369 2.827,370 5.547,371 3.515,372 2.602,373 3.028,374 0.86,375 7.567,376 2.365,377 3.675,378 2.773,379 5.381,380 3.411,381 2.46,382 2.857,383 0.8,384 7.021,385 2.334,386 3.488,387 2.58,388 5.224,389 3.277,390 2.329,391 2.635,392 0.8,393 6.496,394 2.201,395 3.367,396 2.521,397 5.055,398 3.078,399 2.154,400 2.458,401 0.293,402 6.118,403 1.988,404 3.287,405 2.352,406 4.916,407 2.933,408 1.978,409 2.391,410 0.247,411 5.616,412 1.875,413 3.036,414 2.267,415 4.632,416 2.739,417 1.774,418 2.113,420 4.94,421 1.699,422 2.924,423 2.157,424 4.431,425 2.629,426 1.739,427 2.001,428 4.413,429 1.537,430 2.742,431 1.863,432 4.198,433 2.273,434 1.347,435 1.82,436 3.705,437 1.241,438 2.5,439 1.806,440 3.676,441 2.003,442 1.136,443 1.5,445 2.619,446 1,447 2.5,448 1.496,449 3.494,450 2,451 1.042,452 1.5,454 2.506,455 1,456 2.349,457 1.277,458 3.417,459 2,460 1,461 1.195,463 2.275,464 0.977,465 19.867,466 0.462,467 0.934,468 0.022,469 53.75,470 1.25,471 23,472 0.535,473 30.75,474 0.715,475 39.712,476 0.924,477 47.933,478 0.607,479 47.23,480 1.098,481 10.7,482 0.249,483 10.296,484 0.239,485 0.059,487 0.312,493 0.845,494 1.666,495 0.765,496 1.305,497 0.6,498 1.055,499 1.045,500 0.957,501 0.948,502 0.909,503 0.625,504 0.908,505 1.085,506 1.152,507 1.043,508 1.053,509 0.897,510 1.04,511 0.956,512 1.098,513 0.906,514 0.973,515 1.234,516 0.928,517 1.167,518 0.929,519 0.951,520 0.782,521 1.577,522 0.8,523 1.147,524 1.11,525 1.096,526 1.107,527 1.092,528 1.091,529 0.981,530 1.049,531 1.091,532 1.048,533 0.944,534 1.08,535 0.427,536 1.047,537 0.994,538 1.293,539 0.428,540 1.271,541 8.5,542 0.212,543 4,544 2.472,545 1.826,546 1.486,547 0.98,548 0.546,549 0.321,550 0.412,551 39347,552 99752,553 2.154,554 45.6,556 32,559 2,562 2,564 1.812,565 2.064,566 4.083,567 0.184,573 129.065,574 1.634,575 3.614,576 4.661,577 5.231,578 5.332,579 5.408,580 3.523,581 4.822,582 5.397,583 4.335,584 3914.31,585 9.521,586 77411.4,591 497.999,592 1.211,593 5.379,594 0.177,595 0.005,596 0.061,597 0.038,598 0.029,599 0.023,600 0.016,601 0.009,602 0.006,603 0.009,604 0.373,605 0.33,606 0.63,607 0.394,608 254.345,609 -0.055,610 -0.383,611 0.077,612 -0.176,613 -0.022,614 -0.046,615 0.05,616 0.19,617 0.005,618 0.086,619 0.087,620 0.036,621 -0.085,622 -0.104,623 -0.077,624 -0.051,625 -0.029,626 -0.061,627 -0.03,628 -0.101,629 0.081,630 -0.006,631 -0.023,632 0.053,633 -0.07,634 0.112,635 0.052,636 0.154,637 -0.11,638 0.138,639 -0.136,640 0.003,641 -0.156,642 -0.079,643 -0.12,644 -0.115,645 -0.046,646 0.024,647 -0.145,648 -0.023,649 -0.095,650 -0.089,651 0.251,652 -0.002,653 -0.083,654 -0.215,655 0.254,656 -0.222,657 2.06,658 5.782,659 0.814,660 66.812,661 1.01,662 1.137,663 2.462,664 6.06,665 0.645,666 3.892,667 4.205,668 4.454,669 4.7,670 4.92,671 4.997,672 5.176,673 5.303,674 5.407,675 5.541,676 10.644,677 0.622,678 588.74,679 3.892,680 5.434,681 6.275,682 7.14,683 7.993,684 8.861,685 9.72,686 10.59,687 11.452,688 12.324,689 10.1,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,729 1,731 79,733 20,734 2,735 48,737 84,738 30,739 15,740 4,741 8,742 1,746 6,747 6,751 1,755 2,758 2,761 17,762 13,766 2,771 2,775 2,781 36,782 13,783 2,784 13,790 8,794 1,795 5,801 1,811 1,812 5,836 1,839 2,840 6,844 1,848 43,854 11,855 2,856 3,858 1,859 3,870 6.3,873 2,874 2,875 1,877 20.833,878 14.283,879 9.361,880 4.783,881 3.458,882 1.391,883 0.984,884 9.535,885 12.296,886 4.094,887 4.61,888 5.107,889 5.632,890 6.157,891 6.407,892 6.819,893 7.162,894 7.431,895 7.789,896 0.917,897 65,898 15.99,900 6.849,901 7.717,902 30.661,904 25.24,905 2.217,906 95.333,910 400.217,911 147.223,912 95.751,914 83.29,917 147.223,918 483.507,919 95.751,920 8.396,921 72.684,922 75.81,923 127.351,924 31.461,925 10.561,926 400.217,928 400.217,929 242.974,930 83.29,933 379.003,934 84.832,935 22,937 82.093,938 108.196,939 50.357,941 400.217,942 179.041,943 147.223,946 400.217,947 63.016,948 93.579,949 36.022,950 133.646,951 400.217,952 179.041,953 147.223,955 0.579,956 0.331,957 0.177,958 0.095,959 31,960 13,961 0.083,962 7,964 1,965 5.439,966 429.895,968 35,969 217.329,974 29.573,975 13.864,976 7.725,978 179.041,979 14.203,980 13.85,984 3.838,986 36.022,987 726.481,988 59,993 25.467,997 -0.388,999 79.821,1000 89.846,1001 0.259,1002 0.573,1003 0.739,1004 0.83,1005 0.846,1006 0.858,1007 5.345,1008 2.154,1009 6.24,1010 6.496,1011 4.89,1012 5.298,1013 2.711,1014 7.004,1015 4.771,1016 6.502,1017 1.978,1018 7.766,1019 6.118,1020 4.369,1021 4.966,1022 1.494,1023 7.763,1024 4.207,1025 7.778,1026 1.774,1027 9.385,1028 5.616,1029 6.444,1030 7.342,1031 2.94,1032 10.839,1033 6.215,1034 9.083,1035 1.739,1036 11.06,1037 4.94,1038 6.735,1039 7.813,1040 2.464,1041 12.413,1042 6.47,1043 10.419,1044 1.347,1045 12.771,1046 4.413,1047 8.246,1048 9.679,1049 3.505,1050 14.98,1051 7.921,1052 11.775,1053 1.136,1054 14.507,1055 3.705,1056 8.92,1057 10.534,1058 3.475,1059 16.911,1060 8.561,1061 13.148,1062 1.042,1063 16.261,1064 2.619,1065 10.187,1066 12.174,1067 4.28,1068 19.288,1069 9.776,1070 3.031,1071 1,1072 18.028,1073 2.506,1074 11.057,1075 13.239,1076 4.501,1077 21.388,1078 10.612,1079 2.984,1080 9.707,1081 19.807,1082 2.275,1083 12.215,1084 14.761,1085 5.171,1086 23.69,1087 11.724,1088 2.748,1089 9.676,1090 21.595,1091 4.035,1092 13.187,1093 15.948,1094 5.524,1095 25.872,1096 12.661,1097 2.636,1098 8.657,1099 23.39,1100 3.801,1101 14.297,1102 17.405,1103 6.12,1104 28.147,1105 13.729,1106 2.602,1107 7.678,1108 25.192,1109 3.58,1110 15.322,1111 18.666,1112 6.542,1113 30.369,1114 14.719,1115 2.46,1116 7.567,1117 26.999,1118 3.217,1119 16.413,1120 20.086,1121 7.098,1122 32.633,1123 15.771,1124 2.329,1125 7.021,1126 28.811,1127 3.028,1128 17.466,1129 21.392,1130 7.557,1131 34.876,1132 16.789,1133 36052,1134 57669,1135 32.997,1136 50.978,1137 71.537,1138 73.765,1139 72.005,1140 71.226,1141 71.179,1142 86.422,1143 15.152,1144 199.207,1145 66.948,1146 5.371,1147 5.695,1148 6.195,1149 5.093,1150 5.031,1151 7.035,1152 2.912,1153 16.457,1154 4.928,1155 16.452,1156 1.49,1157 1.537,1158 1.5,1159 1.484,1160 1.483,1161 1.8,1162 0.316,1163 4.15,1164 1.395,1165 4.021,1166 4.062,1167 3.976,1168 3.906,1169 7.432,1170 3.914,1171 3.942,1172 3.98,1173 3.894,1174 3.849,1175 7.427,1176 3.852,1177 3.834,1178 3.883,1179 3.761,1180 3.638,1181 5.126,1182 3.661,1183 3.788,1184 3.848,1185 3.681,1186 3.595,1187 4.741,1188 3.607,1189 3.768,1190 3.812,1191 3.652,1192 3.561,1193 4.711,1194 3.577,1195 3.592,1196 3.645,1197 3.516,1198 3.355,1199 4.656,1200 3.391,1201 3.431,1202 3.475,1203 3.377,1204 3.166,1205 4.601,1206 3.214,1207 3.267,1208 3.338,1209 3.177,1210 2.995,1211 4.363,1212 3.03,1213 0.091,1214 0.077,1215 0.133,1216 0.083,1217 0.063,1218 4.371,1219 0.084,1220 3.695,1221 0.035,1222 6.393,1223 0.202,1224 3.965,1225 0.061,1226 3.031,1227 4.035,1228 1.656,1229 9.707,1230 2.928,1231 1.933,1232 1.905,1233 2.032,1234 2.069,1235 1.287,1236 2.055,1237 1.911,1238 1.884,1239 2.012,1240 2.05,1241 1.198,1242 2.037,1243 1.749,1244 1.679,1245 1.95,1246 1.97,1247 1.176,1248 1.963,1249 1.73,1250 1.672,1251 1.918,1252 1.935,1253 1.103,1254 1.939,1255 1.585,1256 1.538,1257 1.814,1258 1.812,1259 1.081,1260 1.801,1261 1.455,1262 1.398,1263 1.591,1264 1.685,1265 0.825,1266 1.673,1267 1.301,1268 1.256,1269 1.555,1270 1.606,1271 0.825,1272 1.586,1273 1.278,1274 1.23,1275 1.523,1276 1.573,1277 0.794,1278 1.55,1279 4.575,1281 5.889,1282 2.398,1283 7.387,1284 4.443,1285 8.964,1286 6.26,1287 10.582,1289 2.054,1295 7.683,1296 5.658,1297 16.938,1299 -0.091,1300 6.122,1305 49.12,1306 129.065,1307 285.523,1308 368.224,1309 413.244,1310 421.244,1311 427.244,1312 77.647,1313 8.839,1314 134.28,1315 134.28,1316 35,1317 12.868,1318 4.392,1319 3.585,1320 64.279,1321 281,1322 293,1323 0.109,1324 296.315,1325 523.61,1326 714.767,1327 111593,1329 29.597,1330 0.688,1331 0.563,1332 29.597,1333 24.199,1334 20.996,1335 0.437,1336 0.304,1337 14.287,1338 19.843,1339 14.059,1340 11.512,1341 20.996,1342 14.595,1343 18.895,1344 0.286,1345 0.163,1346 18.895,1347 10.774,1348 15.804,1349 0.186,1350 0.09,1351 15.804,1352 7.638,1353 13.095,1354 0.12,1355 0.047,1356 13.095,1357 5.072,1358 10.4,1359 0.076,1360 0.024,1361 10.4,1362 3.292,1363 0.179,1364 133.837,1365 0.174,1366 39.086,1367 0.277,1368 228,1369 717.214,1370 259.905,1371 670.352,1372 913.13,1373 632,1374 265,1375 664.261,1376 297.049,1377 663.216,1378 977.59,1379 623,1380 8.77}
{0 CHEMBL1808992,1 1.617,2 16.39,3 2.766,4 7.648,5 152.022,6 7.449,7 0.391,8 4.434,9 4.561,10 4.003,11 3.907,12 5.511,13 3.91,14 5.012,15 5.189,16 4.39,17 4.327,18 6.11,19 4.302,20 5.295,21 5.511,22 4.413,23 4.493,24 6.271,25 4.43,26 5.338,27 5.586,28 4.327,29 4.425,30 6.343,31 4.337,32 5.258,33 5.527,34 4.291,35 4.282,36 6.288,37 4.236,38 5.022,39 5.208,40 4.31,41 4.243,42 6.128,43 4.232,44 5.067,45 5.252,46 4.314,47 4.363,48 6.112,49 4.322,50 5.225,51 5.435,52 4.356,53 4.499,54 6.316,55 4.398,56 0.095,57 1.18,58 15.744,59 6.23,60 12.321,61 8.543,62 0.69,63 1.883,64 31.555,65 10.989,66 57.394,67 15.259,68 0.698,69 2.284,70 44.501,71 14.161,72 65.745,73 20.521,74 0.748,75 2.254,76 48.062,77 14.474,78 79.739,79 22.05,80 0.908,81 1.986,82 46.964,83 11.968,84 99.823,85 18.723,86 0.733,87 1.806,88 33.288,89 9.717,90 60.066,91 13.53,92 0.672,93 1.965,94 33.663,95 10.605,96 51.202,97 15.157,98 0.762,99 2.214,100 39.828,101 15.471,102 101.84,103 21.868,104 18,105 65,106 0.249,107 0.587,108 0.743,109 0.783,110 0.8,111 0.812,112 3.741,113 0.911,114 -4.21,115 -4.15,116 -3.92,119 38.7,121 4,124 1,125 4,127 3,142 8,143 2,144 2,149 1,150 2,158 1,159 1,163 1,164 1,165 1,172 9,174 7,175 9,177 1,178 3,179 1,180 5,183 11,185 1,186 1,187 6,192 6,195 6,197 2,198 4,199 19,204 8,209 2,211 2,212 10,217 4,223 2,224 16,227 3,228 1,229 2,231 1,232 6,236 2,237 1,245 12,249 5,250 7,252 1,253 7,254 1,257 1,258 14,263 6,271 8,275 4001,276 27.858,277 27.858,278 27.858,279 27.858,280 27.858,281 25.503,282 41.151,283 16.337,284 28.608,285 22.754,286 22.754,287 22.754,288 22.754,289 22.754,290 19.088,291 64.619,292 7.852,293 23.992,294 4.611,295 2.411,296 1.397,297 1.13,298 1.023,299 0.943,300 4.456,306 1493,307 3.873,310 115.038,311 733.265,312 156.902,318 2.508,319 44.827,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 90,331 672,332 4.371,333 3.563,334 6.466,335 4.044,336 3.098,337 4.035,338 1.656,339 9.996,340 2.935,341 4.175,342 3.498,343 6.312,344 3.95,345 3.018,346 3.763,347 0.98,348 9.699,349 2.838,350 4.093,351 3.335,352 6.022,353 3.801,354 2.805,355 3.579,356 0.86,357 8.657,358 2.797,359 4.037,360 3.198,361 5.932,362 3.687,363 2.733,364 3.145,365 0.86,366 8.25,367 2.58,368 3.839,369 2.925,370 5.559,371 3.536,372 2.577,373 3.091,374 0.8,375 7.58,376 2.462,377 3.685,378 2.788,379 5.503,380 3.366,381 2.453,382 2.995,383 0.8,384 7.394,385 2.271,386 3.59,387 2.563,388 5.301,389 3.272,390 2.315,391 2.813,392 0.247,393 6.828,394 2.164,395 3.335,396 2.442,397 5.115,398 2.968,399 2.021,400 2.539,402 5.946,403 1.916,404 3.116,405 2.284,406 5.013,407 2.861,408 1.879,409 2.166,411 5.933,412 1.844,413 2.89,414 2.11,415 4.648,416 2.842,417 1.854,418 1.951,420 5.008,421 1.804,422 2.879,423 1.96,424 4.428,425 2.603,426 1.714,427 1.879,428 4.392,429 1.516,430 2.764,431 1.884,432 4.199,433 2.282,434 1.334,435 1.825,436 3.704,437 1.264,438 2.726,439 1.538,440 3.838,441 2.23,442 1.223,443 1.737,445 2.906,446 1.213,447 2.5,448 1.289,449 3.768,450 2.119,451 1.154,452 1.5,454 2.808,455 1.11,456 2.5,457 1.277,458 3.491,459 2,460 1.047,461 1.5,463 2.595,464 1,465 19.033,466 0.464,467 1.023,468 0.025,469 51.75,470 1.262,471 23,472 0.561,473 28.75,474 0.701,475 39.236,476 0.957,477 45.167,478 0.602,479 43.781,480 1.068,481 9.902,482 0.242,483 10.005,484 0.244,485 0.082,487 0.357,493 0.852,494 1.512,495 0.78,496 1.192,497 0.66,498 0.996,499 0.82,500 1.024,501 0.887,502 1.004,503 0.477,504 0.97,505 1.124,506 1.15,507 1.048,508 1.055,509 0.847,510 1.04,511 0.872,512 1.172,513 0.996,514 1.136,515 0.81,516 1.091,517 1.205,518 0.847,519 0.822,520 0.666,521 1.163,522 0.659,523 1.48,524 1.016,525 1.093,526 0.908,527 1.133,528 0.925,529 1.184,530 1.077,531 1.183,532 1.001,533 0.85,534 1.059,535 0.374,536 1.025,537 0.998,538 1.25,539 0.384,540 1.248,541 9,542 0.253,543 4,544 2.694,545 1.716,546 1.517,547 0.877,548 0.483,549 0.443,550 0.549,551 32261,552 82750,553 2.147,554 45.3,556 22,559 4,561 4,562 4,564 1.805,565 2.033,566 3.934,567 1.459,573 121.306,574 1.617,575 3.817,576 4.832,577 5.099,578 5.205,579 5.285,580 3.391,581 4.821,582 5.324,583 4.172,584 3421.37,585 9.404,586 62959.6,591 467.161,592 1.325,593 5.3,594 0.196,595 0.005,596 0.062,597 0.041,598 0.031,599 0.027,600 0.015,601 0.008,602 0.007,603 0.01,604 0.402,605 0.17,606 0.63,607 0.589,608 236.392,609 -0.075,610 -0.241,611 0.06,612 -0.083,613 -0.051,614 0.002,615 0.168,616 0.128,617 0.037,618 0.023,619 0.19,620 -0.002,621 -0.142,622 -0.111,623 -0.087,624 -0.046,625 -0.036,626 -0.055,627 0.024,628 -0.184,629 -0.014,630 -0.162,631 0.031,632 -0.104,633 -0.079,634 0.087,635 0.224,636 0.247,637 -0.05,638 0.293,639 -0.185,640 0.101,641 -0.111,642 0.052,643 -0.143,644 -0.01,645 -0.185,646 0.085,647 -0.255,649 -0.148,650 -0.109,651 0.292,652 0.051,653 -0.096,654 -0.181,655 0.282,656 -0.215,657 2.191,658 5.498,659 0.78,660 59.262,661 1.008,662 1.136,663 2.98,664 8.88,665 0.65,666 3.85,667 4.19,668 4.454,669 4.718,670 4.956,671 5.056,672 5.209,673 5.342,674 5.485,675 5.687,676 9.541,677 0.625,678 558.71,679 3.85,680 5.407,681 6.26,682 7.138,683 8.003,684 8.884,685 9.754,686 10.637,687 11.511,688 12.396,689 10.7,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,717 1,726 1,729 1,731 75,733 20,734 2,735 46,737 80,738 29,739 15,740 4,741 8,742 1,746 6,747 7,751 1,755 7,758 7,761 17,762 12,766 2,771 2,775 2,781 34,782 12,783 4,784 12,790 8,794 0.833,795 4,808 1,811 1,812 5,813 1,836 1,839 1,840 5,844 1,848 41,849 1,854 8,855 2,856 2,858 3,859 2,870 5.3,873 2,874 1,875 1,877 20.167,878 13.417,879 8.806,880 4.55,881 3.339,882 1.379,883 0.99,884 8.237,885 12.148,886 4.06,887 4.6,888 5.095,889 5.624,890 6.148,891 6.391,892 6.784,893 7.127,894 7.419,895 7.824,896 0.909,897 65,898 15.217,900 6.603,901 7.744,902 29.202,904 24.617,905 2.244,906 92,910 353.133,911 137.219,912 125.524,914 72.29,917 137.219,918 425.423,919 125.524,920 8.396,921 92.453,922 75.81,923 116.351,924 31.461,925 10.561,926 353.133,928 353.133,929 262.742,930 72.29,933 261.292,934 155.459,935 11,937 101.862,938 108.196,939 50.357,941 353.133,942 197.814,943 137.219,946 353.133,947 53.012,948 90.455,949 36.022,950 155.543,951 353.133,952 197.814,953 137.219,955 0.587,956 0.337,957 0.179,958 0.097,959 32,960 14,961 0.088,962 7,963 2,964 1.094,965 5.184,966 414.346,967 0.125,968 31,969 199.66,974 27.702,975 12.19,976 6.559,978 197.814,979 13.641,980 14.167,984 3.716,986 68.919,987 688.165,988 57,993 23.742,997 -0.939,999 75.61,1000 85.222,1001 0.26,1002 0.613,1003 0.776,1004 0.819,1005 0.836,1006 0.849,1007 5.325,1008 2.021,1009 6.244,1010 6.828,1011 4.875,1012 5.288,1013 2.534,1014 7.036,1015 4.776,1016 6.499,1017 1.879,1018 7.79,1019 5.946,1020 4.443,1021 5.007,1022 1.404,1023 7.847,1024 4.298,1025 7.787,1026 1.854,1027 9.429,1028 5.933,1029 6.46,1030 7.343,1031 2.781,1032 10.923,1033 6.264,1034 9.099,1035 1.714,1036 11.121,1037 5.008,1038 6.815,1039 7.829,1040 2.382,1041 12.525,1042 6.572,1043 10.441,1044 1.334,1045 12.846,1046 4.392,1047 8.3,1048 9.68,1049 3.386,1050 15.099,1051 8.011,1052 11.802,1053 1.223,1054 14.594,1055 3.704,1056 9.028,1057 10.535,1058 3.421,1059 17.052,1060 8.69,1061 13.178,1062 1.154,1063 16.359,1064 2.906,1065 10.288,1066 12.169,1067 4.205,1068 19.437,1069 9.905,1070 3.098,1071 1.047,1072 18.137,1073 2.808,1074 11.201,1075 13.227,1076 4.467,1077 21.557,1078 10.768,1079 3.018,1080 9.996,1081 19.924,1082 2.595,1083 12.362,1084 14.747,1085 5.128,1086 23.87,1087 11.884,1088 2.805,1089 9.699,1090 21.72,1091 4.035,1092 13.369,1093 15.927,1094 5.504,1095 26.07,1096 12.838,1097 2.733,1098 8.657,1099 23.523,1100 3.763,1101 14.489,1102 17.382,1103 6.096,1104 28.358,1105 13.912,1106 2.577,1107 8.25,1108 25.331,1109 3.579,1110 15.543,1111 18.637,1112 6.531,1113 30.597,1114 14.913,1115 2.453,1116 7.58,1117 27.145,1118 3.145,1119 16.649,1120 20.056,1121 7.085,1122 32.877,1123 15.97,1124 2.315,1125 7.394,1126 28.963,1127 3.091,1128 17.727,1129 21.357,1130 7.551,1131 35.137,1132 16.994,1133 29682,1134 47793,1135 31.323,1136 48.762,1137 69.486,1138 71.334,1139 70.328,1140 68.985,1141 69.026,1142 84.334,1143 12.406,1144 198.318,1145 65.662,1146 5.371,1147 5.563,1148 6.268,1149 5.148,1150 5.098,1151 7.035,1152 2.912,1153 16.899,1154 4.935,1155 18.678,1156 1.511,1157 1.551,1158 1.529,1159 1.5,1160 1.501,1161 1.833,1162 0.27,1163 4.311,1164 1.427,1165 4.036,1166 4.082,1167 3.981,1168 3.911,1169 7.438,1170 3.919,1171 3.951,1172 3.998,1173 3.877,1174 3.843,1175 7.43,1176 3.845,1177 3.921,1178 3.953,1179 3.858,1180 3.832,1181 5.124,1182 3.831,1183 3.807,1184 3.858,1185 3.737,1186 3.595,1187 4.904,1188 3.625,1189 3.617,1190 3.667,1191 3.539,1192 3.375,1193 4.723,1194 3.411,1195 3.464,1196 3.507,1197 3.416,1198 3.195,1199 4.679,1200 3.244,1201 3.319,1202 3.383,1203 3.209,1204 3.127,1205 4.616,1206 3.129,1207 3.253,1208 3.307,1209 3.155,1210 2.969,1211 4.503,1212 3.017,1213 0.095,1214 0.077,1215 0.141,1216 0.088,1217 0.067,1218 4.371,1219 0.088,1220 3.563,1221 0.036,1222 6.466,1223 0.217,1224 4.044,1225 0.064,1226 3.098,1227 4.035,1228 1.656,1229 9.996,1230 2.935,1231 1.932,1232 1.903,1233 2.023,1234 2.07,1235 1.383,1236 2.05,1237 1.902,1238 1.877,1239 2.001,1240 2.016,1241 1.255,1242 2.01,1243 1.796,1244 1.746,1245 1.982,1246 1.972,1247 1.198,1248 1.978,1249 1.723,1250 1.664,1251 1.917,1252 1.948,1253 1.104,1254 1.944,1255 1.604,1256 1.543,1257 1.86,1258 1.76,1259 1.084,1260 1.798,1261 1.486,1262 1.435,1263 1.602,1264 1.753,1265 0.825,1266 1.708,1267 1.312,1268 1.271,1269 1.534,1270 1.621,1271 0.726,1272 1.574,1273 1.227,1274 1.137,1275 1.513,1276 1.502,1277 0.5,1278 1.523,1279 4.533,1281 5.866,1282 2.398,1283 7.385,1284 4.844,1285 8.983,1286 6.969,1287 10.624,1289 2.209,1293 5.268,1295 6.998,1296 5.543,1297 11.912,1299 1.171,1300 4.573,1305 46.879,1306 121.306,1307 286.299,1308 362.407,1309 382.407,1310 390.407,1311 396.407,1312 73.227,1313 8.809,1314 147.83,1315 147.83,1316 35,1317 12.931,1318 4.392,1319 3.585,1320 59.55,1321 229,1322 267,1323 0.12,1324 282.726,1325 497.52,1326 681.611,1327 98488,1329 28.346,1330 0.691,1331 0.56,1332 28.346,1333 22.954,1334 19.907,1335 0.433,1336 0.304,1337 13.722,1338 18.955,1339 13.494,1340 11.062,1341 19.907,1342 13.968,1343 18.403,1344 0.283,1345 0.165,1346 18.403,1347 10.701,1348 15.392,1349 0.181,1350 0.095,1351 15.392,1352 8.052,1353 12.942,1354 0.117,1355 0.052,1356 12.942,1357 5.753,1358 10.478,1359 0.074,1360 0.028,1361 10.478,1362 3.97,1363 0.194,1364 125.94,1365 0.179,1366 37.207,1367 0.315,1368 222,1369 657.146,1370 250.304,1371 624.261,1372 854.95,1373 586,1374 261,1375 633.357,1376 287.897,1377 634.041,1378 932.34,1379 597,1380 8.495}
{0 CHEMBL1808993,1 1.655,2 17.711,3 2.254,4 5.082,5 140.764,6 7.627,7 0.429,8 4.338,9 4.463,10 3.92,11 3.786,12 5.457,13 3.799,14 4.889,15 5.076,16 4.28,17 4.177,18 6.031,19 4.165,20 5.127,21 5.338,22 4.314,23 4.347,24 6.173,25 4.298,26 5.2,27 5.44,28 4.263,29 4.308,30 6.306,31 4.243,32 5.12,33 5.358,34 4.223,35 4.223,36 6.272,37 4.181,38 4.977,39 5.17,40 4.135,41 4.187,42 6.134,43 4.134,44 4.995,45 5.224,46 4.011,47 4.138,48 6.066,49 4.056,50 4.881,51 5.117,52 3.939,53 4.046,54 6.04,55 3.942,56 0.124,57 1.078,58 13.753,59 5.323,60 13.198,61 7.314,62 0.736,63 1.676,64 27.667,65 8.741,66 48.865,67 12.438,68 0.635,69 1.985,70 36.384,71 11.542,72 51.75,73 16.792,74 0.753,75 1.96,76 41.516,77 12.422,78 88.221,79 18.59,80 0.883,81 1.777,82 39.179,83 10.815,84 97.899,85 16.016,86 0.626,87 1.639,88 31.235,89 10.627,90 72.211,91 14.462,92 0.726,93 1.58,94 33.776,95 10.699,96 78.695,97 15.409,98 0.723,99 1.439,100 29.668,101 10.469,102 83.011,103 15.171,104 17,105 58,106 0.26,107 0.579,108 0.702,109 0.773,110 0.792,111 0.806,112 3.667,113 0.892,114 -3.62,115 -3.59,116 -3.42,119 38.2,124 1,125 8,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 6,175 4,178 4,179 1,180 4,183 8,186 2,187 8,192 4,195 4,198 1,199 14,202 2,204 7,211 3,212 9,217 6,224 8,227 4,229 4,232 4,236 1,237 3,240 1,245 8,249 4,250 2,253 6,254 1,258 8,263 2,266 1,271 4,275 2976,276 25.756,277 25.756,278 25.756,279 25.756,280 25.756,281 23.426,282 34.898,283 15.26,284 26.565,285 20.753,286 20.753,287 20.753,288 20.753,289 20.753,290 17.102,291 49.473,292 7.324,293 22.022,294 4.433,295 2.397,296 1.614,297 1.158,298 1.041,299 0.952,300 4.373,306 1477,307 3.606,311 735.813,318 2.846,319 42.918,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.69,330 84,331 673,332 4.36,333 3.695,334 6.393,335 3.965,336 3.015,337 4.027,338 1.656,339 9.676,340 2.928,341 4.267,342 3.562,343 6.301,344 3.946,345 2.984,346 3.801,347 1.2,348 9.647,349 2.835,350 4.043,351 3.183,352 6.022,353 3.695,354 2.746,355 3.571,356 0.86,357 8.657,358 2.587,359 3.895,360 2.85,361 5.578,362 3.587,363 2.633,364 3.217,365 0.8,366 7.653,367 2.5,368 3.726,369 2.773,370 5.384,371 3.418,372 2.469,373 3.027,374 0.8,375 7.034,376 2.34,377 3.528,378 2.592,379 5.226,380 3.283,381 2.339,382 2.749,383 0.293,384 6.5,385 2.203,386 3.447,387 2.535,388 5.047,389 3.103,390 2.186,391 2.614,392 0.247,393 6.066,394 2.001,395 3.31,396 2.327,397 4.915,398 2.934,399 1.977,400 2.442,402 5.614,403 1.877,404 3.037,405 2.247,406 4.625,407 2.738,408 1.769,409 2.114,411 4.92,412 1.699,413 2.921,414 2.157,415 4.377,416 2.614,417 1.73,418 2.001,420 4.298,421 1.522,422 2.74,423 1.863,424 4.193,425 2.256,426 1.323,427 1.819,428 3.684,429 1.229,430 2.5,431 1.539,432 3.676,433 2,434 1.048,435 1.5,436 2.591,437 1,438 2.5,439 1.277,440 3.489,441 2,442 1,443 1.5,445 2.275,446 1,447 2.349,448 1.256,449 3.414,450 1.967,451 1,452 1.179,454 2.275,455 0.965,456 2.199,457 1.146,458 3.414,459 1.952,460 1,461 1.173,463 2.275,464 0.946,465 17.533,466 0.461,467 0.903,468 0.024,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 31.367,476 0.825,477 41.867,478 0.616,479 42.575,480 1.12,481 10.085,482 0.265,483 8.356,484 0.22,485 0.086,487 0.325,493 0.872,494 1.648,495 0.766,496 1.234,497 0.669,498 1.012,499 0.824,500 0.937,501 0.89,502 0.873,503 0.502,504 0.884,505 0.982,506 1.157,507 1.016,508 1.074,509 0.801,510 1.046,511 0.94,512 1.103,513 0.95,514 1.054,515 1.105,516 1.007,517 1.198,518 0.885,519 0.952,520 0.807,521 1.437,522 0.819,523 1.164,524 1.077,525 1.132,526 1.168,527 1.34,528 1.157,529 1.021,530 1.015,531 1.057,532 1.033,533 1.145,534 1.055,535 0.379,536 0.9,537 0.899,538 1.128,539 0.418,540 1.131,541 8,542 0.186,543 4,544 2.25,545 1.911,546 1.431,547 0.807,548 0.457,549 0.295,550 0.351,551 28224,552 75671,553 2.113,554 44.1,556 27,559 3,564 1.78,565 2,566 4.067,567 0.843,573 112.529,574 1.655,575 3.691,576 4.473,577 4.929,578 5.047,579 5.135,580 3.527,581 4.596,582 5.219,583 4.266,584 2999.22,585 9.147,586 54450.5,591 413.947,592 1.324,593 5.189,594 0.19,595 0.005,596 0.069,597 0.038,598 0.035,599 0.027,600 0.017,601 0.011,602 0.008,603 0.011,604 0.411,605 0.33,606 0.63,607 0.48,608 217.649,609 -0.093,610 -0.378,611 0.054,612 -0.136,613 -0.059,614 -0.032,615 0.131,616 0.23,617 0.03,618 0.11,619 0.137,620 0.052,621 -0.109,622 -0.084,623 -0.081,624 -0.066,625 -0.031,626 -0.064,627 -0.021,628 -0.122,629 0.033,630 -0.07,631 -0.008,632 -0.015,633 -0.099,634 0.088,635 0.059,636 0.148,637 -0.101,638 0.145,639 -0.118,640 -0.031,641 -0.187,642 -0.136,643 -0.15,644 -0.174,645 -0.05,646 -0.046,647 -0.08,648 -0.018,649 -0.11,650 -0.05,651 0.381,652 0.087,653 0.052,654 -0.094,655 0.305,656 -0.099,657 2.08,658 5.703,659 0.789,660 54.471,661 1.012,662 1.138,663 2.385,664 5.688,665 0.651,666 3.761,667 4.078,668 4.317,669 4.554,670 4.796,671 4.82,672 4.949,673 5.03,674 5.081,675 5.198,676 10.081,677 0.63,678 518.64,679 3.761,680 5.303,681 6.142,682 7.008,683 7.859,684 8.727,685 9.583,686 10.452,687 11.311,688 12.18,689 11.8,692 1,695 1,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 1,728 1,731 68,733 20,734 2,735 42,737 72,738 26,739 15,740 4,741 8,742 1,746 5,747 5,751 1,761 17,762 9,766 2,771 2,775 2,781 30,782 12,783 3,784 12,790 8,794 1,795 4,812 5,836 1,839 1,840 5,844 1,848 38,853 1,854 8,855 2,856 1,859 3,870 5.9,872 1,873 2,874 1,877 19,878 12.317,879 8.278,880 3.986,881 3.433,882 1.405,883 0.97,884 8.223,885 11.898,886 3.989,887 4.527,888 5.032,889 5.559,890 6.09,891 6.301,892 6.678,893 6.995,894 7.228,895 7.576,896 0.917,897 59,898 14.092,900 6.028,901 7.829,902 26.684,904 21.726,905 2.329,906 88.5,910 317.82,911 131.117,912 95.751,914 103.973,917 131.117,918 421.793,919 95.751,920 8.396,921 60.965,922 75.81,923 159.034,924 20.461,925 6.175,926 317.82,928 317.82,929 226.869,930 103.973,933 320.148,934 92.973,935 11,937 65.988,938 108.196,939 50.357,941 317.82,942 199.724,943 131.117,946 317.82,947 46.911,948 93.579,949 36.022,950 154.33,951 317.82,952 199.724,953 131.117,955 0.582,956 0.332,957 0.176,958 0.1,959 27,960 12,961 0.069,962 5,964 1,965 5.01,966 356.181,968 30,969 183.421,974 26.164,975 11.943,976 6.714,978 199.724,979 13.833,980 12.567,984 2.787,986 78.705,987 648.661,988 53,993 25.217,997 -0.416,999 68.843,1000 77.391,1001 0.272,1002 0.606,1003 0.735,1004 0.81,1005 0.829,1006 0.844,1007 5.234,1008 1.977,1009 6.116,1010 6.066,1011 4.762,1012 5.215,1013 2.491,1014 6.884,1015 4.654,1016 6.408,1017 1.769,1018 7.648,1019 5.614,1020 4.29,1021 4.924,1022 1.494,1023 7.667,1024 4.133,1025 7.692,1026 1.73,1027 9.274,1028 4.92,1029 6.323,1030 7.291,1031 2.818,1032 10.735,1033 6.115,1034 9.003,1035 1.323,1036 10.955,1037 4.298,1038 6.635,1039 7.774,1040 2.464,1041 12.323,1042 6.388,1043 10.345,1044 1.048,1045 12.671,1046 3.684,1047 8.133,1048 9.647,1049 3.455,1050 14.894,1051 7.838,1052 11.706,1053 1,1054 14.412,1055 2.591,1056 8.819,1057 10.504,1058 3.475,1059 16.836,1060 8.49,1061 13.084,1062 1,1063 16.171,1064 2.275,1065 10.084,1066 12.15,1067 4.264,1068 19.217,1069 9.71,1070 3.015,1071 1,1072 17.944,1073 2.275,1074 10.962,1075 13.214,1076 4.501,1077 21.325,1078 10.554,1079 2.984,1080 9.676,1081 19.728,1082 2.275,1083 12.12,1084 14.74,1085 5.166,1086 23.631,1087 11.671,1088 2.746,1089 9.647,1090 21.521,1091 4.027,1092 13.098,1093 15.925,1094 5.524,1095 25.817,1096 12.615,1097 2.633,1098 8.657,1099 23.321,1100 3.801,1101 14.209,1102 17.384,1103 6.118,1104 28.092,1105 13.688,1106 2.469,1107 7.653,1108 25.128,1109 3.571,1110 15.238,1111 18.643,1112 6.542,1113 30.316,1114 14.682,1115 2.339,1116 7.034,1117 26.939,1118 3.217,1119 16.331,1120 20.063,1121 7.097,1122 32.581,1123 15.739,1124 2.186,1125 6.5,1126 28.756,1127 3.027,1128 17.387,1129 21.367,1130 7.557,1131 34.823,1132 16.76,1133 26166,1134 43109,1135 28.433,1136 44.239,1137 62.947,1138 64.727,1139 63.949,1140 62.533,1141 62.458,1142 77.729,1143 11.712,1144 175.706,1145 59.118,1146 5.36,1147 5.695,1148 6.195,1149 5.068,1150 5.015,1151 7.027,1152 2.912,1153 16.426,1154 4.928,1155 17.409,1156 1.499,1157 1.541,1158 1.523,1159 1.489,1160 1.487,1161 1.851,1162 0.279,1163 4.183,1164 1.408,1165 4.013,1166 4.054,1167 3.968,1168 3.903,1169 7.432,1170 3.911,1171 3.94,1172 3.978,1173 3.893,1174 3.848,1175 7.427,1176 3.852,1177 3.817,1178 3.876,1179 3.746,1180 3.609,1181 6.482,1182 3.633,1183 3.785,1184 3.845,1185 3.68,1186 3.587,1187 4.984,1188 3.605,1189 3.61,1190 3.661,1191 3.532,1192 3.365,1193 4.73,1194 3.403,1195 3.435,1196 3.478,1197 3.382,1198 3.168,1199 4.679,1200 3.217,1201 3.267,1202 3.338,1203 3.177,1204 2.995,1205 4.589,1206 3.031,1207 3.111,1208 3.206,1209 2.869,1210 2.941,1211 4.363,1212 2.91,1213 0.104,1214 0.088,1215 0.152,1216 0.094,1217 0.072,1218 4.36,1219 0.096,1220 3.695,1221 0.039,1222 6.393,1223 0.23,1224 3.965,1225 0.07,1226 3.015,1227 4.027,1228 1.656,1229 9.676,1230 2.928,1231 1.933,1232 1.905,1233 2.032,1234 2.067,1235 1.287,1236 2.054,1237 1.911,1238 1.884,1239 2.012,1240 2.049,1241 1.198,1242 2.036,1243 1.749,1244 1.678,1245 1.95,1246 1.969,1247 1.103,1248 1.962,1249 1.727,1250 1.669,1251 1.918,1252 1.935,1253 1.081,1254 1.939,1255 1.49,1256 1.44,1257 1.564,1258 1.761,1259 0.825,1260 1.713,1261 1.297,1262 1.251,1263 1.552,1264 1.592,1265 0.825,1266 1.557,1267 1.181,1268 1.104,1269 1.513,1270 1.482,1271 0.651,1272 1.478,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.492,1278 1.429,1279 4.443,1281 5.759,1283 7.265,1285 8.85,1287 10.475,1289 2.047,1294 10.015,1295 5.554,1296 5.558,1297 5.358,1300 5.979,1305 42.825,1306 112.529,1307 250.972,1308 304.173,1309 335.193,1310 343.193,1311 349.193,1312 70.289,1313 8.465,1314 136.05,1315 136.05,1316 30,1317 12.726,1318 4.392,1319 3.585,1320 59.696,1321 235,1322 228,1323 0.121,1324 261.342,1325 457.98,1326 629.435,1327 72938,1329 26.485,1330 0.697,1331 0.556,1332 26.485,1333 21.131,1334 18.441,1335 0.439,1336 0.297,1337 12.231,1338 17.474,1339 12.017,1340 9.886,1341 18.441,1342 12.485,1343 16.748,1344 0.289,1345 0.158,1346 16.748,1347 9.188,1348 13.801,1349 0.186,1350 0.088,1351 13.801,1352 6.487,1353 11.362,1354 0.121,1355 0.045,1356 11.362,1357 4.272,1358 9.346,1359 0.078,1360 0.025,1361 9.346,1362 2.976,1363 0.2,1364 117.264,1365 0.188,1366 35.571,1367 0.305,1368 200,1369 633.893,1370 226.922,1371 602.734,1372 816.83,1373 564,1374 232,1375 595.292,1376 258.29,1377 598.167,1378 876.73,1379 561,1380 7.824}
{0 CHEMBL1822052,1 2.07,2 11.393,3 4.116,4 16.941,5 111.015,6 10.873,7 0.71,8 3.845,9 3.915,10 3.888,11 3.553,12 5.083,13 3.509,14 4.322,15 4.403,16 4.266,17 3.932,18 5.842,19 3.886,20 4.533,21 4.654,22 4.27,23 4.028,24 5.91,25 3.951,26 4.57,27 4.711,28 4.213,29 3.959,30 5.925,31 3.867,32 4.484,33 4.633,34 4.189,35 3.828,36 5.957,37 3.779,38 4.368,39 4.514,40 4.118,41 3.806,42 5.944,43 3.733,44 4.321,45 4.467,46 4.026,47 3.752,48 5.679,49 3.668,50 4.21,51 4.34,52 4.023,53 3.649,54 5.628,55 3.552,56 0.173,57 0.684,58 4.37,59 3.566,60 27.657,61 2.759,62 0.433,63 1.075,64 7.431,65 5.732,66 56.39,67 5.132,68 0.543,69 1.31,70 16.631,71 8.629,72 64.533,73 7.164,74 0.664,75 1.253,76 25.703,77 9.359,78 88.902,79 7.641,80 0.748,81 1.107,82 17.408,83 7.768,84 111.699,85 6.564,86 0.644,87 1.075,88 15.807,89 7.216,90 97.151,91 6.897,92 0.522,93 0.953,94 19.552,95 6.905,96 62.285,97 6.131,98 0.48,99 0.863,100 21.381,101 6.739,102 65.872,103 5.199,104 26,105 46,106 0.356,107 0.644,108 0.779,109 0.865,110 0.865,111 0.865,112 3.375,113 1.026,114 -3.73,115 -3.69,116 -3.51,119 45,142 8,143 2,144 3,145 1,146 1,147 1,152 1,162 1,163 1,164 1,165 1,172 7,174 1,175 4,177 1,178 3,180 2,183 8,185 1,187 8,190 1,192 4,195 9,199 9,204 5,207 4,209 2,211 2,212 6,217 4,220 4,222 2,224 6,229 2,232 8,234 1,236 1,237 6,242 2,245 7,247 1,250 2,252 1,253 2,258 7,263 3,267 1,270 1,271 6,275 1216,276 18.367,277 18.367,278 18.367,279 18.367,280 18.367,281 15.453,282 10.761,283 10.449,284 19.081,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.867,291 6.178,292 4.993,293 16.588,294 3.252,295 1.582,296 0.8,297 0.3,298 0.3,299 0.3,300 4.065,302 1,304 1,305 1,306 696,307 3.391,310 68.547,311 260.92,314 117.318,318 1.707,319 44.293,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.1,341 4.511,342 3.189,343 6.346,344 4.009,345 3.057,346 4.449,348 9.78,349 2.929,350 4.257,351 3.028,352 6.144,353 3.771,354 2.847,355 3.937,357 9.063,358 2.62,359 3.873,360 2.873,361 5.871,362 3.441,363 2.509,364 3.402,366 8.06,367 2.323,368 3.811,369 2.653,370 5.14,371 3.319,372 2.381,373 3.302,375 6.302,376 2.199,377 3.319,378 2.054,379 4.816,380 2.818,381 1.929,382 2.627,384 5.352,385 1.69,386 3.081,387 1.974,388 4.734,389 2.585,390 1.643,391 2.296,393 4.773,394 1.53,395 3.024,396 1.618,397 4.48,398 2.454,399 1.527,400 2.28,402 4.434,403 1.399,404 2.855,405 1.525,406 4.291,407 2.344,408 1.385,409 2.013,411 3.881,412 1.321,413 2.822,414 1.418,415 4.142,416 2.292,417 1.378,418 1.945,420 3.673,421 1.203,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.918,431 0.704,432 3.216,433 1.338,434 0.441,435 0.643,436 1.133,437 0.384,438 1.487,439 0.579,440 3.168,441 1.052,442 0.195,443 0.242,445 0.492,446 0.15,447 1.12,448 0.381,449 2.748,450 0.672,451 -0.21,452 -0.261,454 -0.467,455 -0.176,456 1,457 -0.1,458 2.653,459 0.558,460 -0.371,461 -0.48,463 -1.065,464 -0.33,465 13.933,466 0.498,467 0.943,468 0.034,469 42,470 1.5,471 24,472 0.857,473 18,474 0.643,475 20.123,476 0.719,477 28.667,478 0.717,479 31.944,480 1.141,481 7.993,482 0.285,483 5.321,484 0.19,485 0.148,486 0.06,487 0.323,491 1,493 0.578,494 0.949,495 0.679,496 0.917,497 0.686,498 0.693,499 0.535,500 0.981,501 0.733,502 0.931,503 0.546,504 0.848,505 1.019,506 1.056,507 1.099,508 1.123,509 0.959,510 1.069,511 1.225,512 0.993,513 1.217,514 1.137,515 1.187,516 1.165,517 0.952,518 0.778,519 0.816,520 0.817,521 1.115,522 0.873,523 0.619,524 0.906,525 0.924,526 0.942,527 0.501,528 0.927,529 1.159,530 0.883,531 1.398,532 1.001,533 0.938,534 1.016,535 1.251,536 0.904,537 1.198,538 0.968,539 1.234,540 1.079,541 8,542 0.184,543 4.222,544 2.292,545 1.804,546 1.233,547 0.718,548 0.504,549 0.377,550 0.248,551 9894,552 38486,553 2.064,554 30,556 8,558 1,559 3,564 1.711,565 1.898,566 3.477,567 1.023,569 1,573 82.799,574 2.07,575 3.74,576 4.522,577 5.022,578 5.022,579 5.022,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17737.4,588 1,590 1,591 212.877,592 1.656,593 4.716,594 0.258,595 0.009,596 0.092,597 0.051,598 0.046,599 0.032,600 0.019,601 0.015,602 0.013,603 0.01,604 0.546,605 0.33,606 1,607 0.616,608 140.21,609 -0.013,611 0.079,612 -0.003,613 -0.162,614 0.083,615 0.199,616 -0.045,617 0.029,618 -0.04,619 0.179,620 -0.047,621 -0.141,622 -0.07,623 -0.167,624 -0.119,625 -0.077,626 -0.142,627 -0.248,628 -0.104,629 -0.173,630 -0.121,631 -0.174,632 -0.173,633 0.028,634 0.006,635 0.105,636 0.092,637 -0.061,638 0.102,639 0.272,640 0.021,641 0.063,642 0.024,643 0.347,644 0.07,645 -0.225,646 -0.024,647 -0.2,648 -0.034,649 -0.106,650 -0.023,651 -0.221,652 -0.025,653 -0.05,654 0.02,655 -0.204,656 -0.119,657 4.865,658 5.55,659 0.75,660 24.531,661 1.037,662 1.115,663 2.497,664 6.234,665 0.771,666 3.466,667 3.85,668 4.094,669 4.344,670 4.585,671 4.654,672 4.745,673 4.868,674 4.942,675 5.03,676 6.528,677 0.743,678 434.93,679 3.466,680 5.043,681 5.9,682 6.799,683 7.674,684 8.572,685 9.453,686 10.351,687 11.235,688 12.133,689 10,693 1,694 1,699 2,703 2,704 9,705 2,708 1,709 7,711 22,722 1,730 2,731 40,733 24,734 2,735 31,737 43,738 18,739 18,740 5,741 7,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 12,782 7,783 3,784 10,785 3,790 4,794 0.75,795 2,805 1,811 1,812 3,815 1,840 3,842 2,845 1,846 1,848 28,849 1,852 1,855 1,863 1,869 2,870 5,873 2,877 14.75,878 7.186,879 5.875,880 2.094,881 4.092,882 1.537,883 1.054,884 4.956,885 11.714,886 3.807,887 4.525,888 5.099,889 5.708,890 6.269,891 6.594,892 7.014,893 7.443,894 7.756,895 8.173,896 0.875,897 45,898 10.624,900 5.004,901 8.156,902 19.008,904 16.011,905 2.656,906 74.361,909 1,910 105.94,911 148.205,912 82.873,913 39.149,914 44.313,915 14.96,916 37.085,917 111.12,918 189.402,919 97.833,922 114.515,923 106.06,924 31.492,925 57.926,926 125.447,928 105.94,929 193.993,930 59.273,931 76.234,933 120.9,934 44.313,937 11.692,938 132.324,939 55.783,940 70.426,941 120.9,942 127.186,943 187.353,945 5.807,946 105.94,947 57.54,948 84.857,949 16.405,950 164.89,951 105.94,952 142.146,953 187.353,955 0.603,956 0.343,957 0.174,958 0.1,959 24,960 11,961 0.093,962 4,963 1,964 1.095,965 3.909,966 248.883,967 0.095,968 21,969 128.606,970 1,973 1,974 19.062,975 7.281,976 3.976,977 1.684,978 142.146,979 13.175,980 8.283,983 1.355,984 1.438,986 49.302,987 435.439,988 44,991 -3.948,993 25.1,999 41.469,1000 44.612,1001 0.389,1002 0.703,1003 0.85,1004 0.944,1005 0.944,1006 0.944,1007 5.059,1008 1.527,1009 5.943,1010 4.773,1011 4.533,1012 5.212,1014 6.806,1015 4.383,1016 6.339,1017 1.385,1018 7.546,1019 4.434,1020 4.369,1021 5.338,1023 7.978,1024 4.104,1025 7.707,1026 1.378,1027 9.255,1028 3.881,1029 6.232,1030 7.597,1032 11.005,1033 5.944,1034 9.115,1035 1,1036 11.029,1037 3.673,1038 6.836,1039 8.496,1041 12.998,1042 6.422,1043 10.553,1044 0.441,1045 12.846,1046 2.275,1047 8.249,1048 10.293,1050 15.63,1051 7.812,1052 12.015,1053 0.195,1054 14.695,1055 1.133,1056 9.183,1057 11.532,1059 17.941,1060 8.625,1061 13.494,1062 -0.21,1063 16.568,1064 0.492,1065 10.439,1066 13.158,1068 20.471,1069 9.839,1070 3.4,1071 -0.371,1072 18.46,1073 -0.467,1074 11.517,1075 14.551,1077 22.906,1078 10.808,1079 3.057,1080 12.528,1081 20.367,1082 -1.065,1083 12.722,1084 16.11,1086 25.416,1087 11.952,1088 2.847,1089 9.78,1090 22.287,1091 4.71,1092 13.863,1093 17.574,1095 27.9,1096 12.992,1097 2.509,1098 9.063,1099 24.218,1100 4.449,1101 15.055,1102 19.11,1104 30.412,1105 14.11,1106 2.381,1107 8.06,1108 26.157,1109 3.937,1110 16.227,1111 20.608,1113 32.918,1114 15.186,1115 1.929,1116 6.302,1117 28.104,1118 3.402,1119 17.42,1120 22.137,1122 35.435,1123 16.296,1124 1.643,1125 5.352,1126 30.057,1127 3.302,1128 18.608,1129 23.651,1131 37.952,1132 17.389,1133 9384,1134 18687,1135 20.285,1136 30.83,1137 47.729,1138 49.205,1139 48.986,1140 47.499,1141 47.384,1142 66.693,1144 143.492,1145 43.694,1146 5.694,1147 6.686,1148 6.726,1149 5.419,1150 5.4,1151 7.71,1153 19.92,1154 5.1,1155 15.216,1156 1.54,1157 1.587,1158 1.58,1159 1.532,1160 1.529,1161 2.151,1163 4.629,1164 1.409,1165 4.116,1166 4.119,1167 4.738,1168 4.095,1169 8.201,1170 4.046,1171 4.038,1172 4.029,1173 4.319,1174 4.033,1175 7.717,1176 3.958,1177 3.818,1178 3.847,1179 3.971,1180 3.742,1181 6.999,1182 3.734,1183 3.6,1184 3.579,1185 3.72,1186 3.515,1187 5.185,1188 3.445,1189 3.335,1190 3.383,1191 3.545,1192 3.265,1193 5.033,1194 3.218,1195 2.93,1196 2.973,1197 3.195,1198 2.86,1199 4.724,1200 2.832,1201 2.854,1202 2.925,1203 2.848,1204 2.735,1205 4.584,1206 2.715,1207 2.83,1208 2.907,1209 2.733,1210 2.652,1211 4.337,1212 2.653,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.71,1229 12.528,1230 3.1,1231 1.99,1232 1.986,1233 2.028,1234 2.063,1235 1.198,1236 2.083,1237 1.935,1238 1.933,1239 1.962,1240 1.997,1241 1.143,1242 2.016,1243 1.716,1244 1.693,1245 1.766,1246 1.828,1247 0.887,1248 1.826,1249 1.395,1250 1.431,1251 1.371,1252 1.57,1253 0.528,1254 1.589,1255 1.332,1256 1.305,1257 1.186,1258 1.527,1259 0.399,1260 1.544,1261 0.943,1262 0.936,1263 1.181,1264 1.062,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.098,1270 1.056,1271 0.174,1272 1.077,1273 0.829,1274 0.757,1275 0.966,1276 1.01,1277 0.035,1278 1.042,1279 4.143,1281 5.509,1282 2.398,1283 7.057,1284 4.727,1285 8.683,1286 6.804,1287 10.35,1290 6.078,1291 13.061,1293 5.735,1296 2.399,1305 29.734,1306 82.799,1307 149.593,1308 180.877,1309 200.877,1310 200.877,1311 200.877,1312 61.25,1313 7.622,1314 97.97,1315 134.59,1316 23,1317 12.659,1318 4.644,1319 3.807,1320 42.45,1321 109,1322 114,1323 0.189,1324 191.548,1325 320.4,1326 459.136,1327 21515,1328 5,1329 19.889,1330 0.71,1331 0.587,1332 20.122,1333 16.446,1334 13.315,1335 0.43,1336 0.342,1337 8.043,1338 11.348,1339 7.67,1340 6.308,1341 14.439,1342 10.599,1343 13.13,1344 0.285,1345 0.195,1346 14.908,1347 8.959,1348 10.57,1349 0.179,1350 0.11,1351 12.316,1352 6.476,1353 8.568,1354 0.113,1355 0.061,1356 10.479,1357 4.654,1358 7.087,1359 0.073,1360 0.034,1361 8.955,1362 3.289,1363 0.296,1364 98.754,1365 0.222,1366 26.656,1367 0.52,1368 154,1369 558.442,1370 248.501,1371 591.116,1372 782.59,1373 542,1374 182,1375 506.169,1376 273.186,1377 570.662,1378 834.76,1379 534,1380 7.357}
{0 CHEMBL1822053,1 2.041,2 10.741,3 4.321,4 18.669,5 106.841,6 11.05,7 0.733,8 3.792,9 3.849,10 3.862,11 3.532,12 5.012,13 3.482,14 4.277,15 4.352,16 4.203,17 3.903,18 5.79,19 3.853,20 4.481,21 4.6,22 4.23,23 3.988,24 5.859,25 3.911,26 4.525,27 4.665,28 4.175,29 3.92,30 5.879,31 3.824,32 4.43,33 4.581,34 4.147,35 3.779,36 5.893,37 3.725,38 4.265,39 4.388,40 4.093,41 3.751,42 5.896,43 3.685,44 4.265,45 4.402,46 3.983,47 3.715,48 5.626,49 3.625,50 4.139,51 4.27,52 3.97,53 3.593,54 5.528,55 3.487,56 0.146,57 0.609,58 3.59,59 3.356,60 21.9,61 2.684,62 0.409,63 0.976,64 7.157,65 5.445,66 52.314,67 4.597,68 0.503,69 1.202,70 12.779,71 7.766,72 59.863,73 6.751,74 0.641,75 1.198,76 25.019,77 9.075,78 84.16,79 7.234,80 0.722,81 1.037,82 17.73,83 7.754,84 107.583,85 6.709,86 0.587,87 0.982,88 12.904,89 6.34,90 88.511,91 5.674,92 0.489,93 0.899,94 17.777,95 6.477,96 56.162,97 5.51,98 0.451,99 0.779,100 21.898,101 6.609,102 61.497,103 5.191,104 17,105 44,106 0.355,107 0.623,108 0.775,109 0.866,110 0.866,111 0.866,112 3.34,113 1.044,114 -3.69,115 -3.65,116 -3.48,119 47.4,142 8,143 2,144 3,145 1,146 1,147 1,152 1,160 1,172 7,174 1,175 4,178 2,180 1,183 8,187 8,190 1,192 4,195 9,199 9,204 3,207 4,211 2,212 6,217 2,220 4,224 6,229 1,232 8,236 1,237 6,242 1,245 7,250 2,253 1,258 7,263 3,271 6,275 1111,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.03,282 7.599,283 10.262,284 18.607,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 10.446,291 3.678,292 4.875,293 16.002,294 3.207,295 1.664,296 0.789,297 0.263,298 0.263,299 0.263,300 4.033,302 1,304 1,305 1,306 637,307 3.317,310 66.353,311 249.684,314 112.695,318 1.676,319 40.756,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.333,331 290,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.1,341 4.47,342 3.187,343 6.321,344 3.989,345 3.025,346 4.391,348 9.673,349 2.923,350 4.236,351 2.966,352 6.108,353 3.733,354 2.808,355 3.925,357 8.909,358 2.592,359 3.855,360 2.873,361 5.858,362 3.417,363 2.476,364 3.398,366 8.003,367 2.314,368 3.797,369 2.589,370 5.14,371 3.314,372 2.377,373 3.264,375 6.301,376 2.19,377 3.083,378 1.988,379 4.734,380 2.589,381 1.644,382 2.302,384 4.775,385 1.541,386 3.034,387 1.643,388 4.459,389 2.455,390 1.535,391 2.296,393 4.372,394 1.408,395 2.97,396 1.534,397 4.292,398 2.44,399 1.49,400 2.189,402 3.999,403 1.389,404 2.828,405 1.488,406 4.144,407 2.297,408 1.383,409 1.952,411 3.685,412 1.213,413 2.541,414 1.063,415 3.437,416 2,417 1.048,418 1.562,420 2.377,421 1,422 2.5,423 1,424 3.414,425 1.917,426 1,427 1.5,428 2.275,429 0.892,430 1.916,431 0.699,432 3.216,433 1.324,434 0.437,435 0.639,436 1.059,437 0.376,438 1.486,439 0.574,440 3.045,441 1.052,442 0.194,443 0.241,445 0.486,446 0.149,447 1.12,448 0.38,449 2.717,450 0.671,451 -0.211,452 -0.262,454 -0.468,455 -0.177,456 1,457 -0.102,458 2.648,459 0.541,460 -0.393,461 -0.51,463 -1.132,464 -0.346,465 13.533,466 0.501,467 0.837,468 0.031,469 40.75,470 1.509,471 23.5,472 0.87,473 17.25,474 0.639,475 18.889,476 0.7,477 27.267,478 0.718,479 30.131,480 1.116,481 7.751,482 0.287,483 5.169,484 0.191,485 0.123,486 0.062,487 0.296,491 1,493 0.506,494 0.964,495 0.666,496 0.958,497 0.615,498 0.727,499 0.579,500 0.977,501 0.813,502 0.949,503 0.563,504 0.877,505 0.988,506 1.028,507 0.97,508 1.027,509 0.957,510 1.058,511 1.247,512 0.965,513 1.236,514 1.125,515 1.221,516 1.16,517 0.925,518 0.731,519 0.795,520 0.788,521 1.098,522 0.824,523 0.646,524 0.933,525 0.967,526 0.962,527 0.512,528 0.913,529 1.191,530 0.873,531 1.462,532 1.029,533 0.971,534 1.072,535 1.276,536 0.87,537 1.201,538 0.929,539 1.236,540 1.008,541 7,542 0.148,543 4.222,544 1.819,545 1.724,546 1.128,547 0.637,548 0.464,549 0.34,550 0.212,551 9029,552 34857,553 2.088,554 28.9,556 8,558 2,559 1,564 1.701,565 1.94,566 3.406,567 -0.236,569 1,573 77.554,574 2.041,575 3.584,576 4.458,577 4.985,578 4.985,579 4.985,580 2.908,581 4.255,582 4.728,583 3.544,584 1244,585 8.209,586 15753,588 1,590 1,591 199.421,592 1.596,593 4.673,594 0.233,595 0.008,596 0.096,597 0.042,598 0.047,599 0.031,600 0.018,601 0.015,602 0.013,603 0.009,604 0.512,605 0.33,606 1,607 0.584,608 133.327,609 0.037,610 -0.069,611 0.09,612 -0.066,613 -0.121,614 0.033,615 0.153,616 -0.061,617 -0.058,618 -0.08,619 0.162,620 -0.1,621 -0.108,622 -0.07,623 -0.098,624 -0.087,625 -0.062,626 -0.137,627 -0.256,628 -0.069,629 -0.177,630 -0.1,631 -0.191,632 -0.154,633 0.067,634 0.045,635 0.161,636 0.15,637 -0.028,638 0.199,639 0.281,640 0.028,641 0.019,642 -0.004,643 0.376,644 0.031,645 -0.245,646 -0.005,647 -0.257,648 -0.067,649 -0.131,650 -0.09,651 -0.224,652 -0.006,653 0.004,654 0.093,655 -0.184,656 0.005,657 4.843,658 5.526,659 0.778,660 22.746,661 1.036,662 1.108,663 2.457,664 6.036,665 0.785,666 3.434,667 3.807,668 4.06,669 4.29,670 4.522,671 4.605,672 4.673,673 4.779,674 4.86,675 4.942,676 6.307,677 0.756,678 419.91,679 3.434,680 5.004,681 5.861,682 6.753,683 7.627,684 8.52,685 9.399,686 10.293,687 11.174,688 12.068,689 7.9,694 1,699 2,703 2,704 10,705 2,708 1,709 6,711 22,730 2,731 38,733 24,734 2,735 30,737 41,738 18,739 18,740 5,741 7,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 11,782 6,783 1,784 9,785 3,790 3,794 0.75,795 2,805 1,811 1,812 3,815 1,840 3,842 2,845 1,846 1,848 27,852 1,855 1,863 1,869 2,870 5.3,873 2,877 13.917,878 6.936,879 5.708,880 2.041,881 4.082,882 1.544,883 1.051,884 4.745,885 11.592,886 3.784,887 4.491,888 5.071,889 5.662,890 6.209,891 6.545,892 6.944,893 7.353,894 7.666,895 8.089,896 1,897 43,898 10.259,900 4.825,901 8.118,902 18.441,904 15.535,905 2.618,906 70.694,910 117.711,911 154.924,912 49.976,913 39.149,914 44.313,915 14.96,916 37.085,917 117.839,918 201.173,919 64.936,922 81.617,923 125.051,924 30.991,925 57.926,926 125.447,928 117.711,929 167.815,930 59.273,931 76.234,933 132.671,934 44.313,937 18.412,938 99.427,939 55.783,940 70.426,941 132.671,942 94.289,943 194.073,945 5.807,946 117.711,947 57.039,948 92.078,949 16.405,950 131.993,951 117.711,952 109.249,953 194.073,955 0.6,956 0.345,957 0.173,958 0.096,959 23,960 10,961 0.098,962 4,963 1,964 1.095,965 3.854,966 236.521,967 0.095,968 21,969 122.382,970 1,973 1,974 18.145,975 7.061,976 3.754,977 1.902,978 109.249,979 15.181,980 8.318,983 1.512,984 1.126,986 16.405,987 421.033,988 43,991 -3.926,993 25.053,999 39.367,1000 42.113,1001 0.389,1002 0.683,1003 0.85,1004 0.95,1005 0.95,1006 0.95,1007 5.027,1008 1.49,1009 5.894,1010 4.372,1011 4.489,1012 5.179,1014 6.753,1015 4.346,1016 6.299,1017 1.383,1018 7.495,1019 3.999,1020 4.29,1021 5.27,1023 7.941,1024 4.046,1025 7.664,1026 1.048,1027 9.205,1028 3.685,1029 6.184,1030 7.56,1032 10.964,1033 5.914,1034 9.07,1035 1,1036 10.983,1037 2.377,1038 6.781,1039 8.45,1041 12.973,1042 6.391,1043 10.508,1044 0.437,1045 12.805,1046 2.275,1047 8.203,1048 10.256,1050 15.601,1051 7.788,1052 11.971,1053 0.194,1054 14.659,1055 1.059,1056 9.136,1057 11.49,1059 17.921,1060 8.603,1061 13.452,1062 -0.211,1063 16.537,1064 0.486,1065 10.395,1066 13.117,1068 20.45,1069 9.819,1070 3.4,1071 -0.393,1072 18.433,1073 -0.468,1074 11.473,1075 14.506,1077 22.889,1078 10.788,1079 3.025,1080 12.528,1081 20.344,1082 -1.132,1083 12.679,1084 16.065,1086 25.401,1087 11.933,1088 2.808,1089 9.673,1090 22.267,1091 4.709,1092 13.822,1093 17.526,1095 27.889,1096 12.974,1097 2.476,1098 8.909,1099 24.199,1100 4.391,1101 15.015,1102 19.061,1104 30.402,1105 14.092,1106 2.377,1107 8.003,1108 26.141,1109 3.925,1110 16.188,1111 20.556,1113 32.91,1114 15.168,1115 1.644,1116 6.301,1117 28.089,1118 3.398,1119 17.383,1120 22.084,1122 35.428,1123 16.279,1124 1.535,1125 4.775,1126 30.044,1127 3.264,1128 18.572,1129 23.596,1131 37.946,1132 17.373,1133 8511,1134 16895,1135 19.879,1136 29.824,1137 45.885,1138 47.35,1139 46.693,1140 45.683,1141 45.632,1142 64.736,1144 136.883,1145 42.175,1146 5.694,1147 6.686,1148 6.821,1149 5.411,1150 5.4,1151 7.709,1153 19.92,1154 5.1,1155 13.064,1156 1.529,1157 1.578,1158 1.556,1159 1.523,1160 1.521,1161 2.158,1163 4.563,1164 1.406,1165 4.114,1166 4.116,1167 4.738,1168 4.094,1169 8.201,1170 4.043,1171 4.035,1172 4.027,1173 4.306,1174 4.032,1175 7.717,1176 3.957,1177 3.815,1178 3.843,1179 3.97,1180 3.74,1181 6.999,1182 3.732,1183 3.598,1184 3.576,1185 3.72,1186 3.515,1187 5.057,1188 3.443,1189 3.274,1190 3.3,1191 3.533,1192 3.247,1193 4.947,1194 3.186,1195 2.919,1196 2.959,1197 3.187,1198 2.859,1199 4.584,1200 2.828,1201 2.854,1202 2.925,1203 2.817,1204 2.735,1205 4.405,1206 2.715,1207 2.802,1208 2.875,1209 2.718,1210 2.62,1211 4.13,1212 2.625,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.86,1219 0.157,1220 4.686,1222 7.311,1223 0.418,1224 4.319,1225 0.103,1226 3.4,1227 4.709,1229 12.528,1230 3.1,1231 1.99,1232 1.986,1233 2.028,1234 2.063,1235 1.198,1236 2.083,1237 1.935,1238 1.932,1239 1.962,1240 1.997,1241 1.143,1242 2.016,1243 1.716,1244 1.693,1245 1.766,1246 1.827,1247 0.887,1248 1.826,1249 1.395,1250 1.431,1251 1.279,1252 1.557,1253 0.529,1254 1.585,1255 1.273,1256 1.259,1257 1.181,1258 1.372,1259 0.434,1260 1.417,1261 0.943,1262 0.936,1263 1.169,1264 1.062,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.053,1270 1.018,1271 0.174,1272 1.042,1273 0.777,1274 0.713,1275 0.962,1276 0.982,1277 0.077,1278 1.002,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.639,1286 6.581,1287 10.305,1290 6.074,1291 13.044,1296 2.41,1305 28.713,1306 77.554,1307 136.202,1308 169.421,1309 189.421,1310 189.421,1311 189.421,1312 56.289,1313 7.509,1314 71.95,1315 108.57,1316 23,1317 12.596,1318 4.644,1319 3.807,1320 40.202,1321 101,1322 107,1323 0.192,1324 184.753,1325 309.4,1326 442.558,1327 18792,1328 5.3,1329 19.018,1330 0.704,1331 0.591,1332 19.252,1333 15.946,1334 12.921,1335 0.431,1336 0.348,1337 7.835,1338 10.99,1339 7.453,1340 6.131,1341 14.091,1342 10.439,1343 12.484,1344 0.284,1345 0.195,1346 14.117,1347 8.583,1348 10.309,1349 0.181,1350 0.111,1351 12.009,1352 6.346,1353 8.215,1354 0.114,1355 0.063,1356 10.077,1357 4.51,1358 6.654,1359 0.073,1360 0.034,1361 8.399,1362 3.133,1363 0.3,1364 96.607,1365 0.224,1366 25.837,1367 0.531,1368 148,1369 541.129,1370 237.189,1371 572.815,1372 756.18,1373 526,1374 175,1375 483.629,1376 263.517,1377 547.223,1378 798.15,1379 511,1380 6.114}
{0 CHEMBL1822054,1 2.063,2 12.871,3 2.978,4 8.867,5 114.153,6 10.242,7 0.647,8 3.964,9 4.05,10 3.912,11 3.552,12 5.218,13 3.554,14 4.455,15 4.569,16 4.258,17 3.906,18 5.98,19 3.913,20 4.667,21 4.813,22 4.309,23 4.006,24 6.081,25 3.988,26 4.67,27 4.828,28 4.279,29 3.965,30 6.068,31 3.927,32 4.606,33 4.758,34 4.261,35 3.872,36 6.091,37 3.873,38 4.526,39 4.687,40 4.195,41 3.866,42 6.103,43 3.842,44 4.5,45 4.662,46 4.096,47 3.816,48 5.899,49 3.779,50 4.377,51 4.536,52 3.952,53 3.707,54 5.729,55 3.653,56 0.232,57 0.816,58 5.813,59 3.869,60 28.206,61 3.244,62 0.586,63 1.246,64 10.344,65 6.198,66 64.04,67 5.868,68 0.834,69 1.459,70 17.497,71 8.104,72 96.426,73 6.507,74 0.87,75 1.346,76 28.452,77 9.022,78 105.81,79 7.799,80 0.929,81 1.225,82 18.09,83 7.28,84 119.877,85 6.266,86 0.824,87 1.196,88 16.492,89 7.069,90 108.023,91 7.441,92 0.744,93 1.093,94 20.075,95 6.895,96 81.786,97 6.547,98 0.627,99 0.988,100 17.552,101 6.645,102 64.552,103 6.538,104 39,105 50,106 0.347,107 0.702,108 0.809,109 0.867,110 0.867,111 0.867,112 3.472,113 0.94,114 -3.67,115 -3.63,116 -3.46,119 42.2,120 1,142 7,143 1,144 3,145 1,146 1,147 2,151 1,158 1,161 1,166 1,172 4,174 2,175 7,178 4,180 2,183 3,186 1,187 10,190 2,192 4,195 5,198 2,199 9,202 1,204 3,207 2,211 4,212 7,215 1,217 2,220 2,223 1,224 6,227 1,229 2,232 8,236 3,237 6,242 1,245 6,249 2,250 5,253 2,258 3,263 6,267 1,271 5,275 1630,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.438,283 11.606,284 20.815,285 16.792,286 16.792,287 16.792,288 16.792,289 16.792,290 12.09,291 13.437,292 5.564,293 17.88,294 3.428,295 1.31,296 0.676,297 0.328,298 0.328,299 0.328,300 4.161,302 1,304 1,305 1,306 857,307 3.937,310 76.491,311 297.329,314 133.384,318 1.948,319 52.39,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 69.833,331 399,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 1.907,339 12.528,340 3.099,341 4.518,342 3.536,343 6.354,344 4.018,345 3.068,346 4.454,347 0.149,348 9.826,349 2.918,350 4.262,351 3.188,352 6.155,353 3.799,354 2.86,355 3.939,357 9.118,358 2.685,359 3.887,360 3.024,361 5.877,362 3.469,363 2.536,364 3.404,366 8.09,367 2.353,368 3.817,369 2.873,370 5.255,371 3.332,372 2.385,373 3.315,375 6.597,376 2.259,377 3.623,378 2.657,379 5.14,380 3.252,381 2.28,382 2.885,384 6.3,385 2.168,386 3.202,387 2.116,388 4.734,389 2.743,390 1.75,391 2.415,393 4.775,394 1.72,395 3.081,396 1.981,397 4.489,398 2.585,399 1.642,400 2.296,402 4.487,403 1.531,404 3.023,405 1.621,406 4.386,407 2.482,408 1.526,409 2.275,411 4.383,412 1.455,413 2.851,414 1.526,415 4.275,416 2.334,417 1.384,418 2,420 3.859,421 1.315,422 2.821,423 1.428,424 4.142,425 2.291,426 1.371,427 1.944,428 3.672,429 1.201,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 0.707,440 3.216,441 1.377,442 0.442,443 0.643,445 1.135,446 0.406,447 1.488,448 0.604,449 3.168,450 1.055,451 0.195,452 0.242,454 0.493,455 0.151,456 1.12,457 0.562,458 2.758,459 0.738,460 -0.203,461 -0.249,463 -0.463,464 -0.174,465 14.733,466 0.475,467 1.05,468 0.034,469 46.25,470 1.492,471 25.5,472 0.823,473 20.75,474 0.669,475 21.97,476 0.709,477 32.667,478 0.726,479 37.961,480 1.225,481 9.113,482 0.294,483 5.596,484 0.181,485 0.17,486 0.057,487 0.333,491 1,493 0.58,494 1.18,495 0.644,496 1.108,497 0.621,498 0.812,499 0.591,500 1.134,501 0.688,502 0.97,503 0.548,504 0.882,505 1.189,506 1.046,507 1.047,508 0.978,509 1.114,510 0.974,511 1.151,512 0.98,513 1.234,514 1.123,515 1.082,516 1.041,517 0.96,518 0.799,519 0.832,520 0.83,521 1.086,522 0.881,523 0.575,524 0.896,525 0.794,526 0.906,527 0.47,528 0.919,529 1.017,530 0.881,531 1.29,532 0.985,533 0.887,534 1.028,535 0.952,536 0.941,537 1.301,538 1.064,539 0.901,540 1.115,541 9,542 0.246,543 4.222,544 2.542,545 1.929,546 1.504,547 0.8,548 0.586,549 0.427,550 0.278,551 13121,552 51566,553 2.038,554 31.1,556 7,557 1,558 1,559 2,560 3,564 1.736,565 1.869,566 3.64,567 0.353,569 1,573 92.855,574 2.063,575 4.182,576 4.816,577 5.164,578 5.164,579 5.164,580 3.112,581 4.567,582 4.922,583 3.789,584 1761.94,585 8.597,586 25129.3,591 247.133,592 1.663,593 4.859,594 0.265,595 0.009,596 0.084,597 0.052,598 0.043,599 0.034,600 0.019,601 0.015,602 0.013,603 0.009,604 0.543,605 0.33,606 0.88,607 0.938,608 161.758,609 0.004,610 -0.131,611 0.11,612 -0.103,613 -0.12,614 0.009,615 0.16,616 -0.132,617 0.051,618 -0.06,619 0.161,620 -0.043,621 -0.247,622 -0.015,623 -0.136,624 0.012,625 -0.169,626 -0.072,627 -0.204,628 -0.041,629 -0.117,630 -0.052,631 -0.128,632 -0.054,633 -0.007,634 0.034,635 0.079,636 0.069,637 -0.093,638 0.042,639 0.27,640 0.051,641 0.142,642 0.035,643 0.314,644 0.065,645 -0.131,646 0.006,647 -0.153,648 -0.023,649 -0.085,650 -0.05,651 -0.07,652 -0.058,653 -0.153,654 -0.066,655 -0.088,656 -0.105,657 4.928,658 5.596,659 0.677,660 32.416,661 1.043,662 1.131,663 2.436,664 5.932,665 0.726,666 3.555,667 3.932,668 4.159,669 4.419,670 4.663,671 4.779,672 4.883,673 4.997,674 5.118,675 5.226,676 7.324,677 0.718,678 460.91,679 3.555,680 5.13,681 5.979,682 6.876,683 7.746,684 8.645,685 9.524,686 10.423,687 11.306,688 12.206,689 13.3,694 1,696 1,697 1,699 3,703 1,704 9,705 3,709 7,711 22,730 2,731 45,733 25,734 1,735 34,737 48,738 19,739 17,740 2,741 4,746 4,747 5,748 1,752 1,761 18,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 14,782 9,783 2,784 12,785 2,787 1,790 6,794 0.75,795 3,804 1,805 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,845 1,846 1,848 31,852 1,855 2,869 2,870 6.7,873 3,877 16.583,878 8.502,879 6.542,880 2.404,881 4.191,882 1.53,883 1.021,884 5.627,885 12.093,886 3.892,887 4.588,888 5.135,889 5.752,890 6.318,891 6.687,892 7.122,893 7.545,894 7.905,895 8.34,896 0.889,897 49,898 11.742,900 5.469,901 8.243,902 20.772,904 17.056,905 2.743,906 85.028,909 1,910 141.253,911 130.252,912 85.814,913 39.149,914 69.458,915 14.96,916 5.807,917 124.444,918 249.86,919 100.774,920 8.825,921 18.011,922 81.189,923 154.288,924 29.582,925 71.28,926 117.711,928 141.253,929 210.258,930 84.418,931 44.956,933 156.213,934 69.458,937 41.519,938 102.1,939 72.447,940 39.149,941 156.213,942 155.272,943 169.4,945 5.807,946 141.253,947 31.19,948 94.418,949 34.416,950 173.801,951 141.253,952 170.232,953 169.4,955 0.599,956 0.331,957 0.17,958 0.098,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.157,966 282.324,967 0.095,968 21,969 147.58,973 1,974 21.19,975 8.232,976 4.667,977 0.506,978 169.068,979 12.201,980 12.659,984 0.589,986 34.416,987 480.885,988 48,991 -4.011,993 36.397,997 -0.261,999 46.924,1000 50.898,1001 0.376,1002 0.762,1003 0.877,1004 0.94,1005 0.94,1006 0.94,1007 5.145,1008 1.642,1009 6.019,1010 4.775,1011 4.615,1012 5.276,1013 1.953,1014 6.872,1015 4.493,1016 6.417,1017 1.526,1018 7.614,1019 4.487,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.22,1025 7.779,1026 1.384,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.046,1033 6.045,1034 9.179,1035 1.371,1036 11.081,1037 3.859,1038 6.889,1039 8.524,1040 3.032,1041 13.022,1042 6.515,1043 10.61,1044 1,1045 12.891,1046 3.672,1047 8.3,1048 10.314,1049 4.037,1050 15.652,1051 7.89,1052 12.064,1053 0.442,1054 14.732,1055 2.275,1056 9.221,1057 11.547,1058 4.409,1059 17.955,1060 8.693,1061 13.537,1062 0.195,1063 16.599,1064 1.135,1065 10.476,1066 13.17,1067 5.25,1068 20.483,1069 9.896,1070 3.4,1071 -0.203,1072 18.486,1073 0.493,1074 11.546,1075 14.56,1076 5.75,1077 22.915,1078 10.856,1079 3.068,1080 12.528,1081 20.389,1082 -0.463,1083 12.749,1084 16.119,1085 6.501,1086 25.423,1087 11.991,1088 2.86,1089 9.826,1090 22.305,1091 4.71,1092 13.886,1093 17.581,1094 7.068,1095 27.906,1096 13.026,1097 2.536,1098 9.118,1099 24.232,1100 4.454,1101 15.077,1102 19.117,1103 7.771,1104 30.417,1105 14.137,1106 2.385,1107 8.09,1108 26.169,1109 3.939,1110 16.246,1111 20.614,1112 8.374,1113 32.922,1114 15.207,1115 2.28,1116 6.597,1117 28.114,1118 3.404,1119 17.438,1120 22.143,1121 9.051,1122 35.438,1123 16.312,1124 1.75,1125 6.3,1126 30.065,1127 3.315,1128 18.624,1129 23.657,1130 9.674,1131 37.954,1132 17.402,1133 12601,1134 25179,1135 22.076,1136 32.648,1137 52.171,1138 54.085,1139 53.479,1140 51.759,1141 51.682,1142 72.046,1143 4.112,1144 155.078,1145 48.521,1146 5.694,1147 6.686,1148 6.726,1149 5.38,1150 5.4,1151 7.71,1152 3.306,1153 19.92,1154 5.099,1155 18.251,1156 1.534,1157 1.591,1158 1.573,1159 1.522,1160 1.52,1161 2.119,1162 0.121,1163 4.561,1164 1.427,1165 4.132,1166 4.175,1167 4.738,1168 4.073,1169 8.201,1170 4.009,1171 4.056,1172 4.05,1173 4.096,1174 3.924,1175 7.717,1176 3.931,1177 3.833,1178 3.866,1179 3.939,1180 3.719,1181 7.43,1182 3.734,1183 3.611,1184 3.627,1185 3.719,1186 3.512,1187 6.999,1188 3.451,1189 3.553,1190 3.564,1191 3.523,1192 3.343,1193 5.145,1194 3.359,1195 3.27,1196 3.314,1197 3.358,1198 3.135,1199 5.006,1200 3.138,1201 2.904,1202 2.949,1203 3.064,1204 2.804,1205 4.584,1206 2.794,1207 2.854,1208 2.925,1209 2.75,1210 2.735,1211 4.463,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.056,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.099,1231 1.97,1232 1.974,1233 1.987,1234 2.089,1235 1.162,1236 2.085,1237 1.904,1238 1.876,1239 1.958,1240 2.016,1241 1.065,1242 2.024,1243 1.696,1244 1.657,1245 1.756,1246 1.859,1247 0.843,1248 1.843,1249 1.555,1250 1.503,1251 1.744,1252 1.812,1253 0.746,1254 1.787,1255 1.394,1256 1.429,1257 1.479,1258 1.559,1259 0.539,1260 1.588,1261 1.271,1262 1.211,1263 1.192,1264 1.491,1265 0.512,1266 1.496,1267 0.952,1268 0.925,1269 1.181,1270 1.129,1271 0.218,1272 1.12,1273 0.886,1274 0.821,1275 1.031,1276 1.062,1277 0.156,1278 1.107,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.748,1286 6.823,1287 10.408,1289 1.372,1290 6.075,1291 13.101,1296 4.93,1305 32.305,1306 92.855,1307 188.198,1308 216.727,1309 232.379,1310 232.379,1311 232.379,1312 73.868,1313 7.902,1314 118.35,1315 126.73,1316 23,1317 12.732,1318 4.7,1319 3.907,1320 49.519,1321 136,1322 138,1323 0.178,1324 204.666,1325 347.34,1326 491.146,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.563,1332 22.053,1333 17.446,1334 14.708,1335 0.433,1336 0.313,1337 8.788,1338 12.953,1339 8.462,1340 6.989,1341 15.424,1342 10.656,1343 14.52,1344 0.29,1345 0.17,1346 15.57,1347 8.491,1348 11.236,1349 0.178,1350 0.092,1351 12.297,1352 5.81,1353 9.25,1354 0.113,1355 0.049,1356 10.389,1357 4.018,1358 7.544,1359 0.072,1360 0.027,1361 8.768,1362 2.81,1363 0.281,1364 104.715,1365 0.213,1366 29.213,1367 0.48,1368 168,1369 653.628,1370 243.531,1371 654.417,1372 863.66,1373 600,1374 197,1375 583.989,1376 275.882,1377 626.709,1378 912.27,1379 586,1380 8.854}
{0 CHEMBL1822055,1 2.072,2 11.393,3 3.111,4 9.676,5 105.771,6 10.472,7 0.71,8 3.86,9 3.949,10 3.836,11 3.462,12 5.12,13 3.462,14 4.336,15 4.441,16 4.18,17 3.827,18 5.877,19 3.831,20 4.551,21 4.697,22 4.237,23 3.925,24 5.963,25 3.898,26 4.564,27 4.724,28 4.171,29 3.862,30 5.948,31 3.813,32 4.462,33 4.615,34 4.145,35 3.744,36 5.963,37 3.736,38 4.362,39 4.516,40 4.075,41 3.728,42 5.964,43 3.697,44 4.343,45 4.51,46 3.984,47 3.67,48 5.742,49 3.626,50 4.199,51 4.346,52 3.853,53 3.549,54 5.624,55 3.501,56 0.212,57 0.752,58 5.05,59 3.383,60 29.243,61 2.656,62 0.5,63 1.146,64 7.79,65 5.384,66 57.757,67 4.805,68 0.675,69 1.344,70 14.532,71 7.38,72 72.447,73 6.138,74 0.79,75 1.214,76 26.253,77 8.279,78 96.812,79 6.737,80 0.804,81 1.064,82 15.86,83 6.561,84 109.831,85 5.581,86 0.703,87 1.031,88 13.457,89 6.182,90 99.68,91 6.367,92 0.643,93 0.943,94 18.476,95 6.098,96 69.926,97 5.852,98 0.529,99 0.851,100 14.211,101 5.399,102 54.419,103 4.936,104 26,105 46,106 0.357,107 0.671,108 0.797,109 0.865,110 0.865,111 0.865,112 3.375,113 0.943,114 -3.61,115 -3.58,116 -3.42,119 42.5,142 7,143 1,144 3,145 1,146 1,147 2,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 6,177 1,178 3,180 1,183 3,186 1,187 10,189 1,190 2,192 4,195 5,198 1,199 8,201 1,202 1,204 3,207 2,209 1,211 3,212 6,215 1,217 2,220 2,222 1,224 4,227 1,229 2,232 7,234 1,236 3,237 5,242 1,245 5,247 1,249 2,250 4,252 1,253 2,258 2,263 5,267 1,270 1,271 4,275 1216,276 18.367,277 18.367,278 18.367,279 18.367,280 18.367,281 15.453,282 10.761,283 10.449,284 18.959,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.867,291 6.178,292 4.993,293 16.39,294 3.25,295 1.423,296 0.691,297 0.3,298 0.3,299 0.3,300 4.065,302 1,304 1,305 1,306 696,307 3.391,310 68.547,311 260.92,314 117.318,318 1.707,319 46.38,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.099,341 4.511,342 3.189,343 6.346,344 4.009,345 3.057,346 4.449,348 9.78,349 2.913,350 4.257,351 3.028,352 6.144,353 3.783,354 2.847,355 3.937,357 9.063,358 2.664,359 3.873,360 2.873,361 5.871,362 3.442,363 2.509,364 3.402,366 8.06,367 2.326,368 3.811,369 2.653,370 5.14,371 3.32,372 2.381,373 3.302,375 6.302,376 2.2,377 3.319,378 2.054,379 4.816,380 2.874,381 1.929,382 2.627,384 5.352,385 1.817,386 3.081,387 1.974,388 4.734,389 2.585,390 1.643,391 2.296,393 4.773,394 1.532,395 3.024,396 1.618,397 4.48,398 2.483,399 1.527,400 2.28,402 4.434,403 1.457,404 2.855,405 1.525,406 4.291,407 2.338,408 1.385,409 2.013,411 3.881,412 1.317,413 2.822,414 1.418,415 4.142,416 2.291,417 1.378,418 1.945,420 3.673,421 1.201,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.918,431 0.704,432 3.216,433 1.377,434 0.441,435 0.643,436 1.133,437 0.406,438 1.487,439 0.579,440 3.168,441 1.054,442 0.195,443 0.242,445 0.492,446 0.15,447 1.12,448 0.381,449 2.748,450 0.673,451 -0.21,452 -0.261,454 -0.467,455 -0.176,456 1,457 -0.1,458 2.653,459 0.574,460 -0.371,461 -0.48,463 -1.065,464 -0.335,465 13.4,466 0.479,467 0.943,468 0.034,469 42.75,470 1.527,471 24,472 0.857,473 18.75,474 0.67,475 18.541,476 0.662,477 29.2,478 0.73,479 33.526,480 1.197,481 8.369,482 0.299,483 4.945,484 0.177,485 0.154,486 0.062,487 0.328,491 1,493 0.601,494 1.096,495 0.653,496 1.053,497 0.695,498 0.749,499 0.615,500 1.116,501 0.704,502 0.971,503 0.555,504 0.886,505 1.075,506 1.065,507 1.009,508 1.044,509 1,510 1.017,511 1.277,512 0.933,513 1.306,514 1.142,515 1.216,516 1.086,517 0.97,518 0.753,519 0.827,520 0.832,521 1.146,522 0.875,523 0.568,524 0.916,525 0.817,526 0.962,527 0.512,528 0.966,529 1.002,530 0.874,531 1.313,532 0.982,533 0.866,534 0.996,535 1.057,536 0.973,537 1.413,538 1.103,539 1.03,540 1.135,541 8,542 0.184,543 4.222,544 2.292,545 1.804,546 1.233,547 0.718,548 0.504,549 0.377,550 0.248,551 9894,552 38092,553 2.064,554 30,556 7,557 1,558 1,559 3,564 1.711,565 1.898,566 3.477,567 1.059,568 1,569 1,573 82.861,574 2.072,575 3.899,576 4.631,577 5.022,578 5.022,579 5.022,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17737.4,588 1,590 1,591 212.877,592 1.656,593 4.716,594 0.258,595 0.009,596 0.092,597 0.051,598 0.046,599 0.032,600 0.019,601 0.015,602 0.013,603 0.01,604 0.546,605 0.33,606 1,607 0.616,608 140.21,609 -0.009,610 -0.065,611 0.102,612 -0.062,613 -0.168,614 0.049,615 0.14,616 -0.124,617 0.007,618 -0.077,619 0.171,620 -0.082,621 -0.173,622 -0.047,623 -0.101,624 -0.048,625 -0.106,626 -0.103,627 -0.281,628 -0.021,629 -0.169,630 -0.055,631 -0.182,632 -0.086,633 0.012,634 0.04,635 0.113,636 0.09,637 -0.079,638 0.078,639 0.318,640 0.013,641 0.144,642 -0.004,643 0.342,644 0.029,645 -0.09,646 -0.015,647 -0.111,648 0.002,649 -0.047,650 0.013,651 -0.107,652 -0.08,653 -0.225,654 -0.105,655 -0.126,656 -0.168,657 4.893,658 5.529,659 0.75,660 24.531,661 1.043,662 1.132,663 2.383,664 5.681,665 0.736,666 3.466,667 3.85,668 4.094,669 4.344,670 4.585,671 4.654,672 4.745,673 4.868,674 4.942,675 5.03,676 6.528,677 0.727,678 418.87,679 3.466,680 5.043,681 5.9,682 6.799,683 7.674,684 8.572,685 9.453,686 10.351,687 11.235,688 12.133,689 15,693 1,694 1,697 1,699 3,703 1,704 9,705 3,709 7,711 22,722 1,730 2,731 40,733 24,734 1,735 31,737 43,738 17,739 17,740 2,741 4,746 4,747 5,748 1,761 17,766 2,769 1,771 2,778 1,779 1,781 12,782 8,783 3,784 11,785 2,787 1,790 6,794 0.75,795 2,804 1,805 1,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 28,849 1,852 1,855 1,869 2,870 5,873 2,877 14.75,878 7.169,879 5.875,880 2.071,881 4.092,882 1.537,883 1.047,884 4.671,885 11.714,886 3.807,887 4.525,888 5.099,889 5.708,890 6.269,891 6.594,892 7.014,893 7.443,894 7.756,895 8.173,896 0.875,897 45,898 10.608,900 4.998,901 8.209,902 18.779,904 15.623,905 2.709,906 75.861,909 1,910 105.94,911 116.722,912 100.7,913 39.149,914 44.313,915 14.96,916 5.807,917 110.914,918 189.402,919 115.66,922 114.086,923 124.438,924 29.582,925 71.28,926 82.398,928 105.94,929 211.615,930 59.273,931 44.956,933 120.9,934 44.313,937 14.683,938 130.292,939 72.447,940 39.149,941 120.9,942 145.013,943 155.87,945 5.807,946 105.94,947 26.486,948 85.593,949 16.405,950 181.553,951 105.94,952 159.973,953 155.87,955 0.603,956 0.343,957 0.174,958 0.1,959 24,960 11,961 0.093,962 4,963 1,964 1.095,965 3.909,966 248.883,967 0.095,968 21,969 128.606,973 1,974 18.627,975 7.021,976 3.81,977 0.57,978 158.809,979 12.365,980 12.486,984 0.738,986 49.302,987 421.784,988 44,991 -3.976,993 25.057,999 41.713,1000 45.273,1001 0.389,1002 0.733,1003 0.87,1004 0.944,1005 0.944,1006 0.944,1007 5.059,1008 1.527,1009 5.943,1010 4.773,1011 4.533,1012 5.212,1014 6.806,1015 4.4,1016 6.339,1017 1.385,1018 7.546,1019 4.434,1020 4.369,1021 5.338,1023 7.978,1024 4.12,1025 7.707,1026 1.378,1027 9.255,1028 3.881,1029 6.232,1030 7.597,1032 11.005,1033 5.962,1034 9.115,1035 1,1036 11.029,1037 3.673,1038 6.836,1039 8.496,1041 12.998,1042 6.438,1043 10.553,1044 0.441,1045 12.846,1046 2.275,1047 8.249,1048 10.293,1050 15.63,1051 7.824,1052 12.015,1053 0.195,1054 14.695,1055 1.133,1056 9.183,1057 11.532,1059 17.941,1060 8.637,1061 13.494,1062 -0.21,1063 16.568,1064 0.492,1065 10.439,1066 13.158,1068 20.471,1069 9.846,1070 3.4,1071 -0.371,1072 18.46,1073 -0.467,1074 11.517,1075 14.551,1077 22.906,1078 10.813,1079 3.057,1080 12.528,1081 20.367,1082 -1.065,1083 12.722,1084 16.11,1086 25.416,1087 11.953,1088 2.847,1089 9.78,1090 22.287,1091 4.71,1092 13.863,1093 17.574,1095 27.9,1096 12.992,1097 2.509,1098 9.063,1099 24.218,1100 4.449,1101 15.055,1102 19.11,1104 30.412,1105 14.106,1106 2.381,1107 8.06,1108 26.157,1109 3.937,1110 16.227,1111 20.608,1113 32.918,1114 15.181,1115 1.929,1116 6.302,1117 28.104,1118 3.402,1119 17.42,1120 22.137,1122 35.435,1123 16.288,1124 1.643,1125 5.352,1126 30.057,1127 3.302,1128 18.608,1129 23.651,1131 37.952,1132 17.379,1133 9384,1134 18600,1135 20.285,1136 29.432,1137 47.729,1138 49.205,1139 48.986,1140 47.512,1141 47.384,1142 66.693,1144 143.492,1145 44.162,1146 5.694,1147 6.686,1148 6.726,1149 5.38,1150 5.4,1151 7.71,1153 19.92,1154 5.099,1155 15.216,1156 1.54,1157 1.587,1158 1.58,1159 1.533,1160 1.529,1161 2.151,1163 4.629,1164 1.425,1165 4.129,1166 4.171,1167 4.738,1168 4.073,1169 8.201,1170 4.007,1171 4.055,1172 4.05,1173 4.091,1174 3.921,1175 7.717,1176 3.929,1177 3.83,1178 3.864,1179 3.936,1180 3.715,1181 6.999,1182 3.73,1183 3.602,1184 3.585,1185 3.719,1186 3.51,1187 5.261,1188 3.445,1189 3.353,1190 3.405,1191 3.441,1192 3.221,1193 5.037,1194 3.223,1195 2.911,1196 2.962,1197 3.124,1198 2.812,1199 4.834,1200 2.803,1201 2.854,1202 2.947,1203 2.751,1204 2.735,1205 4.584,1206 2.715,1207 2.824,1208 2.925,1209 2.707,1210 2.569,1211 4.35,1212 2.587,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.71,1229 12.528,1230 3.099,1231 1.97,1232 1.974,1233 1.987,1234 2.089,1235 1.162,1236 2.085,1237 1.904,1238 1.876,1239 1.958,1240 2.016,1241 1.065,1242 2.024,1243 1.696,1244 1.657,1245 1.755,1246 1.859,1247 0.842,1248 1.842,1249 1.431,1250 1.429,1251 1.571,1252 1.679,1253 0.535,1254 1.655,1255 1.394,1256 1.367,1257 1.193,1258 1.559,1259 0.498,1260 1.588,1261 0.955,1262 0.927,1263 1.181,1264 1.156,1265 0.218,1266 1.152,1267 0.886,1268 0.821,1269 1.085,1270 1.062,1271 0.15,1272 1.107,1273 0.765,1274 0.688,1275 0.964,1276 1.025,1278 1.025,1279 4.143,1281 5.509,1282 2.398,1283 7.057,1284 4.727,1285 8.683,1286 6.804,1287 10.35,1290 6.051,1291 13.052,1293 5.655,1296 2.362,1305 29.063,1306 82.861,1307 155.941,1308 185.226,1309 200.877,1310 200.877,1311 200.877,1312 60.505,1313 7.622,1314 115.27,1315 123.65,1316 23,1317 12.659,1318 4.644,1319 3.807,1320 42.45,1321 109,1322 114,1323 0.189,1324 184.413,1325 306.59,1326 441.728,1327 21515,1328 5,1329 19.889,1330 0.71,1331 0.558,1332 19.768,1333 15.615,1334 13.315,1335 0.43,1336 0.314,1337 7.894,1338 11.666,1339 7.626,1340 6.281,1341 14.03,1342 9.741,1343 13.13,1344 0.285,1345 0.171,1346 14.179,1347 7.849,1348 10.57,1349 0.179,1350 0.094,1351 11.63,1352 5.524,1353 8.568,1354 0.113,1355 0.05,1356 9.707,1357 3.795,1358 7.087,1359 0.073,1360 0.028,1361 8.311,1362 2.68,1363 0.296,1364 95.655,1365 0.222,1366 26.656,1367 0.52,1368 154,1369 580.872,1370 226.289,1371 589.437,1372 782.22,1373 540,1374 182,1375 530.945,1376 258.554,1377 575.32,1378 839.42,1379 538,1380 7.959}
{0 CHEMBL1822056,1 2.06,2 10.741,3 3.318,4 11.01,5 100.757,6 10.628,7 0.733,8 3.808,9 3.885,10 3.808,11 3.439,12 5.052,13 3.434,14 4.293,15 4.391,16 4.141,17 3.798,18 5.826,19 3.799,20 4.499,21 4.643,22 4.196,23 3.891,24 5.903,25 3.859,26 4.496,27 4.644,28 4.128,29 3.82,30 5.887,31 3.769,32 4.406,33 4.556,34 4.102,35 3.7,36 5.901,37 3.687,38 4.283,39 4.426,40 4.049,41 3.675,42 5.922,43 3.651,44 4.288,45 4.448,46 3.939,47 3.63,48 5.693,49 3.581,50 4.127,51 4.276,52 3.791,53 3.486,54 5.523,55 3.433,56 0.187,57 0.697,58 4.308,59 3.283,60 23.576,61 2.59,62 0.477,63 1.075,64 6.676,65 5.047,66 53.437,67 4.236,68 0.635,69 1.272,70 13.946,71 7.25,72 67.657,73 6.011,74 0.731,75 1.151,76 24.16,77 7.885,78 90.083,79 6.015,80 0.767,81 1.001,82 15.301,83 6.543,84 105.109,85 5.665,86 0.661,87 0.97,88 11.901,89 5.691,90 93.502,91 5.626,92 0.61,93 0.902,94 16.834,95 5.808,96 63.781,97 5.273,98 0.503,99 0.779,100 14.543,101 5.271,102 50.303,103 4.866,104 17,105 44,106 0.358,107 0.643,108 0.785,109 0.866,110 0.866,111 0.866,112 3.34,113 0.953,114 -3.55,115 -3.52,116 -3.36,119 44.7,142 7,143 1,144 3,145 2,146 1,147 1,151 1,161 1,166 1,172 4,174 2,175 6,178 2,180 1,183 3,186 1,187 10,190 1,192 4,195 5,198 1,199 8,204 2,207 2,211 3,212 6,215 1,217 1,220 2,224 4,227 1,229 1,232 7,236 3,237 5,245 5,249 2,250 4,253 1,258 2,263 5,271 4,275 1111,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.03,282 7.599,283 10.262,284 18.498,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 10.446,291 3.678,292 4.875,293 15.849,294 3.188,295 1.549,296 0.728,297 0.263,298 0.263,299 0.263,300 4.033,302 1,304 1,305 1,306 637,307 3.317,310 66.353,311 249.684,314 112.695,318 1.676,319 43.04,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60.333,331 290,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.098,341 4.47,342 3.187,343 6.321,344 3.982,345 3.025,346 4.391,348 9.673,349 2.896,350 4.236,351 2.966,352 6.108,353 3.737,354 2.808,355 3.925,357 8.909,358 2.611,359 3.855,360 2.873,361 5.858,362 3.414,363 2.476,364 3.398,366 8.003,367 2.312,368 3.797,369 2.589,370 5.14,371 3.312,372 2.377,373 3.264,375 6.301,376 2.185,377 3.083,378 1.988,379 4.734,380 2.589,381 1.644,382 2.302,384 4.775,385 1.54,386 3.034,387 1.643,388 4.459,389 2.506,390 1.535,391 2.296,393 4.372,394 1.486,395 2.97,396 1.534,397 4.292,398 2.434,399 1.49,400 2.189,402 3.999,403 1.395,404 2.828,405 1.488,406 4.144,407 2.297,408 1.383,409 1.952,411 3.685,412 1.215,413 2.541,414 1.063,415 3.437,416 2,417 1.048,418 1.562,420 2.377,421 1,422 2.5,423 1,424 3.414,425 1.997,426 1,427 1.5,428 2.275,429 0.988,430 1.916,431 0.699,432 3.216,433 1.375,434 0.437,435 0.639,436 1.059,437 0.404,438 1.486,439 0.574,440 3.045,441 1.053,442 0.194,443 0.241,445 0.486,446 0.149,447 1.12,448 0.38,449 2.717,450 0.671,451 -0.211,452 -0.262,454 -0.468,455 -0.177,456 1,457 -0.102,458 2.648,459 0.544,460 -0.393,461 -0.51,463 -1.132,464 -0.347,465 13,466 0.481,467 0.837,468 0.031,469 41.5,470 1.537,471 23.5,472 0.87,473 18,474 0.667,475 17.433,476 0.646,477 27.8,478 0.732,479 31.587,480 1.17,481 8.147,482 0.302,483 4.773,484 0.177,485 0.128,486 0.064,487 0.3,491 1,493 0.533,494 1.106,495 0.635,496 1.099,497 0.624,498 0.786,499 0.643,500 1.11,501 0.735,502 0.965,503 0.576,504 0.902,505 1.065,506 1.063,507 1.004,508 1.04,509 0.981,510 1.006,511 1.324,512 0.951,513 1.361,514 1.173,515 1.292,516 1.119,517 0.928,518 0.721,519 0.808,520 0.833,521 1.137,522 0.87,523 0.572,524 0.904,525 0.818,526 0.937,527 0.509,528 0.92,529 1.024,530 0.853,531 1.379,532 1.004,533 0.895,534 1.05,535 1.072,536 0.932,537 1.423,538 1.051,539 1.02,540 1.058,541 7,542 0.148,543 4.222,544 1.819,545 1.724,546 1.128,547 0.637,548 0.464,549 0.34,550 0.212,551 9029,552 34443,553 2.088,554 28.9,556 7,557 1,558 2,559 1,564 1.701,565 1.94,566 3.406,567 -0.199,568 1,569 1,573 78.271,574 2.06,575 3.699,576 4.52,577 4.985,578 4.985,579 4.985,580 2.908,581 4.255,582 4.728,583 3.544,584 1244,585 8.209,586 15753,588 1,590 1,591 199.421,592 1.596,593 4.673,594 0.233,595 0.008,596 0.096,597 0.042,598 0.047,599 0.031,600 0.018,601 0.015,602 0.013,603 0.009,604 0.512,605 0.33,606 1,607 0.584,608 133.327,609 0.042,610 -0.117,611 0.116,612 -0.128,613 -0.126,614 -0.001,615 0.11,616 -0.137,617 -0.031,618 -0.094,619 0.15,620 -0.122,621 -0.163,622 -0.063,623 -0.077,624 -0.038,625 -0.078,626 -0.072,627 -0.315,628 -0.035,629 -0.213,630 -0.08,631 -0.226,632 -0.127,633 0.061,634 0.05,635 0.16,636 0.106,637 -0.05,638 0.117,639 0.337,640 0.034,641 0.15,642 0.012,643 0.374,644 0.053,645 -0.104,646 0.01,647 -0.166,648 -0.026,649 -0.069,650 -0.05,651 -0.101,652 -0.063,653 -0.172,654 -0.027,655 -0.1,656 -0.042,657 4.871,658 5.505,659 0.778,660 22.746,661 1.042,662 1.126,663 2.32,664 5.381,665 0.748,666 3.434,667 3.807,668 4.06,669 4.29,670 4.522,671 4.605,672 4.673,673 4.779,674 4.86,675 4.942,676 6.307,677 0.738,678 403.85,679 3.434,680 5.004,681 5.861,682 6.753,683 7.627,684 8.52,685 9.399,686 10.293,687 11.174,688 12.068,689 13.2,694 1,697 1,699 3,703 1,704 10,705 3,709 6,711 22,730 2,731 38,733 24,734 1,735 30,737 41,738 17,739 17,740 2,741 4,746 4,747 5,748 1,761 17,766 2,769 1,771 2,778 1,779 1,781 11,782 7,783 1,784 10,785 2,787 1,790 5,794 0.75,795 2,804 1,805 1,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 27,852 1,855 1,869 2,870 5.3,873 2,877 13.917,878 6.919,879 5.708,880 2.032,881 4.082,882 1.544,883 1.044,884 4.461,885 11.592,886 3.784,887 4.491,888 5.071,889 5.662,890 6.209,891 6.545,892 6.944,893 7.353,894 7.666,895 8.089,896 1,897 43,898 10.243,900 4.819,901 8.174,902 18.212,904 15.149,905 2.674,906 72.194,910 117.711,911 123.441,912 67.803,913 39.149,914 44.313,915 14.96,916 5.807,917 117.634,918 201.173,919 82.763,922 81.189,923 136.21,924 38.63,925 68.952,926 82.398,928 117.711,929 185.437,930 59.273,931 44.956,933 132.671,934 44.313,937 23.731,938 95.067,939 72.447,940 39.149,941 132.671,942 112.116,943 162.59,945 5.807,946 117.711,947 24.158,948 94.64,949 16.405,950 148.656,951 117.711,952 127.076,953 162.59,955 0.6,956 0.345,957 0.173,958 0.096,959 23,960 10,961 0.098,962 4,963 1,964 1.095,965 3.854,966 236.521,967 0.095,968 21,969 120.382,973 1,974 17.712,975 6.8,976 3.589,977 0.679,978 125.912,979 14.309,980 12.54,984 0.567,986 16.405,987 407.377,988 43,991 -3.954,993 25.01,999 39.611,1000 42.775,1001 0.392,1002 0.705,1003 0.861,1004 0.95,1005 0.95,1006 0.95,1007 5.027,1008 1.49,1009 5.894,1010 4.372,1011 4.489,1012 5.179,1014 6.753,1015 4.357,1016 6.299,1017 1.383,1018 7.495,1019 3.999,1020 4.29,1021 5.27,1023 7.941,1024 4.037,1025 7.664,1026 1.048,1027 9.205,1028 3.685,1029 6.184,1030 7.56,1032 10.964,1033 5.915,1034 9.07,1035 1,1036 10.983,1037 2.377,1038 6.781,1039 8.45,1041 12.973,1042 6.38,1043 10.508,1044 0.437,1045 12.805,1046 2.275,1047 8.203,1048 10.256,1050 15.601,1051 7.779,1052 11.971,1053 0.194,1054 14.659,1055 1.059,1056 9.136,1057 11.49,1059 17.921,1060 8.588,1061 13.452,1062 -0.211,1063 16.537,1064 0.486,1065 10.395,1066 13.117,1068 20.45,1069 9.801,1070 3.4,1071 -0.393,1072 18.433,1073 -0.468,1074 11.473,1075 14.506,1077 22.889,1078 10.767,1079 3.025,1080 12.528,1081 20.344,1082 -1.132,1083 12.679,1084 16.065,1086 25.401,1087 11.909,1088 2.808,1089 9.673,1090 22.267,1091 4.709,1092 13.822,1093 17.526,1095 27.889,1096 12.948,1097 2.476,1098 8.909,1099 24.199,1100 4.391,1101 15.015,1102 19.061,1104 30.402,1105 14.063,1106 2.377,1107 8.003,1108 26.141,1109 3.925,1110 16.188,1111 20.556,1113 32.91,1114 15.137,1115 1.644,1116 6.301,1117 28.089,1118 3.398,1119 17.383,1120 22.084,1122 35.428,1123 16.245,1124 1.535,1125 4.775,1126 30.044,1127 3.264,1128 18.572,1129 23.596,1131 37.946,1132 17.337,1133 8511,1134 16806,1135 19.879,1136 28.426,1137 45.885,1138 47.35,1139 46.693,1140 45.764,1141 45.632,1142 64.736,1144 136.883,1145 42.559,1146 5.694,1147 6.686,1148 6.821,1149 5.38,1150 5.4,1151 7.709,1153 19.92,1154 5.098,1155 13.064,1156 1.529,1157 1.578,1158 1.556,1159 1.525,1160 1.521,1161 2.158,1163 4.563,1164 1.419,1165 4.125,1166 4.165,1167 4.737,1168 4.073,1169 8.201,1170 4.005,1171 4.052,1172 4.049,1173 4.083,1174 3.919,1175 7.717,1176 3.926,1177 3.827,1178 3.861,1179 3.932,1180 3.713,1181 6.999,1182 3.726,1183 3.601,1184 3.581,1185 3.719,1186 3.51,1187 5.154,1188 3.443,1189 3.306,1190 3.347,1191 3.42,1192 3.199,1193 5.009,1194 3.195,1195 2.903,1196 2.948,1197 3.077,1198 2.804,1199 4.584,1200 2.793,1201 2.854,1202 2.925,1203 2.75,1204 2.735,1205 4.454,1206 2.715,1207 2.787,1208 2.864,1209 2.687,1210 2.569,1211 4.185,1212 2.587,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.86,1219 0.157,1220 4.686,1222 7.311,1223 0.418,1224 4.319,1225 0.103,1226 3.4,1227 4.709,1229 12.528,1230 3.098,1231 1.97,1232 1.974,1233 1.987,1234 2.089,1235 1.162,1236 2.085,1237 1.904,1238 1.876,1239 1.958,1240 2.016,1241 1.065,1242 2.024,1243 1.696,1244 1.657,1245 1.755,1246 1.858,1247 0.842,1248 1.842,1249 1.395,1250 1.429,1251 1.556,1252 1.586,1253 0.547,1254 1.59,1255 1.388,1256 1.329,1257 1.192,1258 1.558,1259 0.516,1260 1.579,1261 0.952,1262 0.925,1263 1.181,1264 1.118,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.009,1270 1.062,1271 0.154,1272 1.107,1273 0.746,1274 0.674,1275 0.959,1276 0.991,1278 0.993,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.639,1286 6.581,1287 10.305,1290 6.046,1291 13.034,1296 2.373,1305 28.042,1306 78.271,1307 140.55,1308 171.77,1309 189.421,1310 189.421,1311 189.421,1312 55.742,1313 7.509,1314 89.25,1315 97.63,1316 23,1317 12.596,1318 4.644,1319 3.807,1320 40.202,1321 101,1322 107,1323 0.192,1324 177.619,1325 295.59,1326 425.15,1327 18792,1328 5.3,1329 19.018,1330 0.704,1331 0.56,1332 18.898,1333 15.115,1334 12.921,1335 0.431,1336 0.318,1337 7.693,1338 11.301,1339 7.429,1340 6.115,1341 13.637,1342 9.531,1343 12.484,1344 0.284,1345 0.173,1346 13.534,1347 7.611,1348 10.309,1349 0.181,1350 0.095,1351 11.37,1352 5.441,1353 8.215,1354 0.114,1355 0.052,1356 9.354,1357 3.71,1358 6.654,1359 0.073,1360 0.029,1361 7.878,1362 2.602,1363 0.3,1364 93.049,1365 0.224,1366 25.837,1367 0.531,1368 148,1369 563.559,1370 218.874,1371 570.709,1372 757.17,1373 524,1374 175,1375 509.747,1376 250.361,1377 553.386,1378 807.56,1379 518,1380 8.215}
{0 CHEMBL1822057,1 2.015,2 12.871,3 3.199,4 10.233,5 115.596,6 9.998,7 0.647,8 3.975,9 4.06,10 3.906,11 3.58,12 5.209,13 3.573,14 4.471,15 4.585,16 4.251,17 3.948,18 5.971,19 3.941,20 4.692,21 4.834,22 4.301,23 4.068,24 6.069,25 4.03,26 4.721,27 4.884,28 4.277,29 4.026,30 6.074,31 3.97,32 4.656,33 4.82,34 4.258,35 3.921,36 6.099,37 3.906,38 4.558,39 4.722,40 4.179,41 3.925,42 6.084,43 3.88,44 4.546,45 4.704,46 4.096,47 3.879,48 5.889,49 3.821,50 4.447,51 4.617,52 3.952,53 3.753,54 5.775,55 3.686,56 0.202,57 0.801,58 6.489,59 4.024,60 25.68,61 3.529,62 0.558,63 1.239,64 11.44,65 6.512,66 60.737,67 6.387,68 0.753,69 1.476,70 18.568,71 8.809,72 88.459,73 7.627,74 0.808,75 1.403,76 30.439,77 9.939,78 100.179,79 9.223,80 0.921,81 1.274,82 21.018,83 7.977,84 119.54,85 7.371,86 0.757,87 1.228,88 17.328,89 7.815,90 100.806,91 8.371,92 0.689,93 1.127,94 24.161,95 8.02,96 78.475,97 7.733,98 0.664,99 1.027,100 20.59,101 7.379,102 74.841,103 7.471,104 39,105 50,106 0.337,107 0.678,108 0.806,109 0.87,110 0.87,111 0.87,112 3.472,113 0.951,114 -3.81,115 -3.77,116 -3.59,119 43.5,120 1,142 7,143 2,144 3,145 1,147 2,151 2,158 1,161 1,172 6,174 2,175 6,178 4,180 2,183 5,187 9,190 2,192 4,195 5,198 1,199 10,204 4,207 2,211 4,212 7,217 3,220 3,224 6,227 1,229 2,232 8,236 1,237 7,242 1,245 9,249 2,250 3,253 2,258 5,263 4,267 1,271 5,275 1630,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.438,283 11.606,284 20.815,285 16.792,286 16.792,287 16.792,288 16.792,289 16.792,290 12.09,291 13.437,292 5.564,293 17.88,294 3.509,295 1.47,296 0.704,297 0.321,298 0.321,299 0.321,300 4.161,302 1,304 1,305 1,306 857,307 3.937,310 76.491,311 297.329,314 133.384,318 1.948,319 50.015,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 69.333,331 399,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 1.907,339 12.528,340 3.099,341 4.518,342 3.536,343 6.354,344 4.018,345 3.068,346 4.454,347 0.149,348 9.826,349 2.927,350 4.262,351 3.188,352 6.155,353 3.799,354 2.86,355 3.939,357 9.118,358 2.679,359 3.887,360 3.024,361 5.877,362 3.475,363 2.536,364 3.404,366 8.09,367 2.36,368 3.817,369 2.873,370 5.255,371 3.332,372 2.385,373 3.315,375 6.597,376 2.257,377 3.623,378 2.657,379 5.14,380 3.251,381 2.28,382 2.885,384 6.3,385 2.173,386 3.202,387 2.116,388 4.734,389 2.742,390 1.75,391 2.415,393 4.775,394 1.718,395 3.081,396 1.981,397 4.489,398 2.585,399 1.642,400 2.296,402 4.487,403 1.532,404 3.023,405 1.621,406 4.386,407 2.466,408 1.526,409 2.275,411 4.383,412 1.429,413 2.851,414 1.526,415 4.275,416 2.341,417 1.384,418 2,420 3.859,421 1.323,422 2.821,423 1.428,424 4.142,425 2.292,426 1.371,427 1.944,428 3.672,429 1.203,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 0.707,440 3.216,441 1.387,442 0.442,443 0.643,445 1.135,446 0.41,447 1.488,448 0.604,449 3.168,450 1.056,451 0.195,452 0.242,454 0.493,455 0.151,456 1.12,457 0.562,458 2.758,459 0.732,460 -0.203,461 -0.249,463 -0.463,464 -0.173,465 14.833,466 0.478,467 1.05,468 0.034,469 46.25,470 1.492,471 25.5,472 0.823,473 20.75,474 0.669,475 22.077,476 0.712,477 32.567,478 0.708,479 37.854,480 1.221,481 9.093,482 0.293,483 5.615,484 0.181,485 0.169,486 0.056,487 0.33,491 1,493 0.586,494 1.212,495 0.649,496 1.105,497 0.613,498 0.817,499 0.572,500 1.034,501 0.696,502 0.923,503 0.535,504 0.861,505 1.125,506 1.029,507 1.032,508 1.006,509 1.076,510 1.018,511 1.089,512 1.04,513 1.187,514 1.151,515 1.023,516 1.082,517 0.934,518 0.772,519 0.812,520 0.799,521 1.036,522 0.857,523 0.607,524 0.865,525 0.805,526 0.868,527 0.472,528 0.917,529 1.084,530 0.927,531 1.438,532 1.132,533 0.954,534 1.103,535 1.002,536 0.848,537 1.257,538 0.974,539 0.997,540 1.042,541 9,542 0.246,543 4.222,544 2.542,545 1.929,546 1.504,547 0.8,548 0.586,549 0.427,550 0.278,551 13121,552 50258,553 2.038,554 32.6,556 7,557 2,558 1,559 2,560 3,564 1.736,565 1.869,566 3.64,567 0.321,569 1,573 92.677,574 2.015,575 4.053,576 4.819,577 5.203,578 5.203,579 5.203,580 3.112,581 4.567,582 4.922,583 3.789,584 1761.94,585 8.597,586 25129.3,591 254.084,592 1.663,593 4.859,594 0.265,595 0.009,596 0.084,597 0.052,598 0.043,599 0.034,600 0.019,601 0.015,602 0.013,603 0.009,604 0.543,605 0.33,606 1,607 0.938,608 161.758,609 -0.011,610 -0.179,611 0.112,612 -0.107,613 -0.118,614 0.011,615 0.175,616 -0.034,617 0.044,618 -0.016,619 0.167,620 -0.019,621 -0.206,622 -0.009,623 -0.134,624 -0.015,625 -0.15,626 -0.105,627 -0.171,628 -0.118,629 -0.091,630 -0.09,631 -0.103,632 -0.081,633 0.01,634 0.058,635 0.103,636 0.101,637 -0.068,638 0.083,639 0.216,640 0.075,641 0.119,642 0.072,643 0.293,644 0.071,645 -0.185,646 -0.056,647 -0.217,648 -0.116,649 -0.124,650 -0.104,651 -0.078,652 0.014,653 -0.115,654 0.019,655 -0.112,656 -0.022,657 4.908,658 5.612,659 0.677,660 32.416,661 1.037,662 1.126,663 2.583,664 6.674,665 0.726,666 3.555,667 3.932,668 4.159,669 4.419,670 4.663,671 4.779,672 4.883,673 4.997,674 5.118,675 5.226,676 7.324,677 0.713,678 459.92,679 3.555,680 5.13,681 5.979,682 6.876,683 7.746,684 8.645,685 9.524,686 10.423,687 11.306,688 12.206,689 10.9,694 1,696 1,697 1,699 2,703 1,704 10,705 2,709 7,711 22,730 2,731 46,733 25,734 1,735 34,737 49,738 20,739 18,740 2,741 4,746 4,747 5,748 1,752 1,761 19,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 15,782 8,783 2,784 11,785 2,787 1,790 5,794 0.75,795 3,805 2,811 1,812 3,815 1,826 1,840 3,842 1,844 1,845 1,846 1,848 31,852 1,855 2,869 2,870 6.5,873 3,877 16.583,878 8.636,879 6.542,880 2.464,881 4.191,882 1.53,883 1.025,884 5.67,885 12.093,886 3.892,887 4.588,888 5.135,889 5.752,890 6.318,891 6.687,892 7.122,893 7.545,894 7.905,895 8.34,896 0.889,897 49,898 11.744,900 5.458,901 8.211,902 20.901,904 17.248,905 2.711,906 84.028,909 1,910 153.024,911 139.728,912 69.273,913 39.149,914 69.458,915 14.96,916 5.807,917 133.921,918 261.631,919 84.233,920 8.825,921 18.011,922 90.236,923 137.625,924 30.134,925 83.051,926 117.711,928 153.024,929 203.194,930 84.418,931 44.956,933 167.984,934 69.458,937 38.885,938 114.333,939 55.783,940 39.149,941 167.984,942 138.731,943 178.877,945 5.807,946 153.024,947 31.619,948 103.588,949 34.416,950 157.138,951 153.024,952 153.691,953 178.877,955 0.599,956 0.331,957 0.17,958 0.098,959 25,960 12,961 0.102,962 5,963 1,964 1.095,965 4.157,966 282.324,967 0.095,968 21,969 147.58,973 1,974 21.253,975 8.27,976 4.693,977 0.617,978 152.405,979 14.416,980 8.352,984 1.104,986 34.416,987 485.592,988 48,991 -3.991,993 36.449,997 -0.233,999 47.705,1000 51.815,1001 0.365,1002 0.734,1003 0.872,1004 0.942,1005 0.942,1006 0.942,1007 5.145,1008 1.642,1009 6.019,1010 4.775,1011 4.615,1012 5.276,1013 1.953,1014 6.872,1015 4.494,1016 6.417,1017 1.526,1018 7.614,1019 4.487,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.221,1025 7.779,1026 1.384,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.046,1033 6.047,1034 9.179,1035 1.371,1036 11.081,1037 3.859,1038 6.889,1039 8.524,1040 3.032,1041 13.022,1042 6.519,1043 10.61,1044 1,1045 12.891,1046 3.672,1047 8.3,1048 10.314,1049 4.037,1050 15.652,1051 7.894,1052 12.064,1053 0.442,1054 14.732,1055 2.275,1056 9.221,1057 11.547,1058 4.409,1059 17.955,1060 8.699,1061 13.537,1062 0.195,1063 16.599,1064 1.135,1065 10.476,1066 13.17,1067 5.25,1068 20.483,1069 9.902,1070 3.4,1071 -0.203,1072 18.486,1073 0.493,1074 11.546,1075 14.56,1076 5.75,1077 22.915,1078 10.864,1079 3.068,1080 12.528,1081 20.389,1082 -0.463,1083 12.749,1084 16.119,1085 6.501,1086 25.423,1087 11.999,1088 2.86,1089 9.826,1090 22.305,1091 4.71,1092 13.886,1093 17.581,1094 7.068,1095 27.906,1096 13.035,1097 2.536,1098 9.118,1099 24.232,1100 4.454,1101 15.077,1102 19.117,1103 7.771,1104 30.417,1105 14.147,1106 2.385,1107 8.09,1108 26.169,1109 3.939,1110 16.246,1111 20.614,1112 8.374,1113 32.922,1114 15.219,1115 2.28,1116 6.597,1117 28.114,1118 3.404,1119 17.438,1120 22.143,1121 9.051,1122 35.438,1123 16.324,1124 1.75,1125 6.3,1126 30.065,1127 3.315,1128 18.624,1129 23.657,1130 9.674,1131 37.954,1132 17.415,1133 12601,1134 24857,1135 22.076,1136 33.404,1137 52.171,1138 54.085,1139 53.479,1140 51.773,1141 51.682,1142 72.046,1143 4.112,1144 155.078,1145 48.525,1146 5.694,1147 6.686,1148 6.726,1149 5.381,1150 5.4,1151 7.71,1152 3.306,1153 19.92,1154 5.099,1155 18.251,1156 1.534,1157 1.591,1158 1.573,1159 1.523,1160 1.52,1161 2.119,1162 0.121,1163 4.561,1164 1.427,1165 4.147,1166 4.185,1167 4.738,1168 4.078,1169 8.201,1170 4.033,1171 4.061,1172 4.051,1173 4.107,1174 3.972,1175 7.717,1176 3.951,1177 3.833,1178 3.866,1179 3.94,1180 3.721,1181 7.43,1182 3.734,1183 3.613,1184 3.63,1185 3.719,1186 3.513,1187 6.999,1188 3.454,1189 3.556,1190 3.564,1191 3.528,1192 3.353,1193 5.086,1194 3.366,1195 3.275,1196 3.318,1197 3.359,1198 3.14,1199 4.993,1200 3.143,1201 2.946,1202 2.998,1203 3.065,1204 2.845,1205 4.584,1206 2.834,1207 2.854,1208 2.925,1209 2.785,1210 2.735,1211 4.421,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.056,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.099,1231 1.987,1232 1.981,1233 2.037,1234 2.099,1235 1.183,1236 2.097,1237 1.933,1238 1.918,1239 1.963,1240 2.019,1241 1.134,1242 2.041,1243 1.715,1244 1.68,1245 1.775,1246 1.863,1247 0.877,1248 1.85,1249 1.557,1250 1.505,1251 1.745,1252 1.812,1253 0.746,1254 1.787,1255 1.394,1256 1.43,1257 1.49,1258 1.559,1259 0.545,1260 1.588,1261 1.281,1262 1.222,1263 1.194,1264 1.495,1265 0.517,1266 1.501,1267 0.958,1268 0.933,1269 1.181,1270 1.129,1271 0.218,1272 1.121,1273 0.886,1274 0.821,1275 1.067,1276 1.062,1277 0.177,1278 1.107,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.748,1286 6.823,1287 10.408,1289 1.392,1290 6.096,1291 13.108,1296 4.998,1305 32.81,1306 92.677,1307 186.458,1308 221.677,1309 239.329,1310 239.329,1311 239.329,1312 72.995,1313 7.902,1314 105.46,1315 113.84,1316 23,1317 12.732,1318 4.7,1319 3.907,1320 49.519,1321 136,1322 138,1323 0.178,1324 207.465,1325 353.64,1326 497.973,1327 30778,1328 4.3,1329 22.173,1330 0.715,1331 0.567,1332 22.053,1333 17.576,1334 14.708,1335 0.433,1336 0.317,1337 8.923,1338 13.013,1339 8.579,1340 7.091,1341 15.424,1342 10.779,1343 14.52,1344 0.29,1345 0.173,1346 15.57,1347 8.653,1348 11.236,1349 0.178,1350 0.095,1351 12.297,1352 5.978,1353 9.25,1354 0.113,1355 0.051,1356 10.389,1357 4.162,1358 7.544,1359 0.072,1360 0.028,1361 8.768,1362 2.936,1363 0.281,1364 104.306,1365 0.213,1366 29.213,1367 0.48,1368 168,1369 633.983,1370 241.477,1371 637.18,1372 839.58,1373 584,1374 197,1375 561.992,1376 273.412,1377 607.969,1378 884.33,1379 568,1380 8.921}
{0 CHEMBL1822058,1 2.022,2 11.393,3 3.332,4 11.102,5 107.214,6 10.192,7 0.71,8 3.872,9 3.959,10 3.83,11 3.493,12 5.11,13 3.484,14 4.355,15 4.459,16 4.173,17 3.872,18 5.867,19 3.861,20 4.578,21 4.721,22 4.229,23 3.993,24 5.949,25 3.945,26 4.621,27 4.786,28 4.169,29 3.929,30 5.951,31 3.86,32 4.519,33 4.685,34 4.143,35 3.794,36 5.977,37 3.77,38 4.403,39 4.567,40 4.062,41 3.778,42 5.964,43 3.727,44 4.375,45 4.542,46 3.981,47 3.719,48 5.711,49 3.659,50 4.245,51 4.391,52 3.853,53 3.59,54 5.665,55 3.534,56 0.185,57 0.736,58 5.732,59 3.531,60 26.722,61 2.94,62 0.474,63 1.134,64 8.957,65 5.673,66 54.632,67 5.326,68 0.595,69 1.36,70 15.622,71 8.04,72 64.344,73 7.245,74 0.726,75 1.275,76 28.3,77 9.186,78 89.664,79 8.163,80 0.792,81 1.114,82 18.717,83 7.28,84 110.819,85 6.718,86 0.671,87 1.066,88 14.902,89 6.837,90 96.764,91 7.305,92 0.584,93 0.969,94 22.412,95 6.854,96 63.18,97 6.572,98 0.546,99 0.871,100 15.624,101 5.772,102 61.193,103 5.267,104 26,105 46,106 0.347,107 0.644,108 0.795,109 0.868,110 0.868,111 0.868,112 3.375,113 0.955,114 -3.78,115 -3.74,116 -3.56,119 43.9,142 7,143 2,144 3,145 1,147 2,151 2,161 1,163 1,164 1,165 1,172 6,174 2,175 5,177 1,178 3,180 1,183 5,187 9,189 1,190 2,192 4,195 5,199 9,204 4,207 2,209 1,211 3,212 6,217 3,220 3,222 2,224 5,227 1,229 2,232 7,234 1,236 1,237 5,242 1,245 7,247 1,249 2,250 2,252 1,253 2,258 4,263 3,267 1,270 1,271 4,275 1216,276 18.367,277 18.367,278 18.367,279 18.367,280 18.367,281 15.453,282 10.761,283 10.449,284 18.959,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.867,291 6.178,292 4.993,293 16.39,294 3.336,295 1.601,296 0.723,297 0.293,298 0.293,299 0.293,300 4.065,302 1,304 1,305 1,306 696,307 3.391,310 68.547,311 260.92,314 117.318,318 1.707,319 44.035,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.333,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.099,341 4.511,342 3.189,343 6.346,344 4.009,345 3.057,346 4.449,348 9.78,349 2.923,350 4.257,351 3.028,352 6.144,353 3.781,354 2.847,355 3.937,357 9.063,358 2.653,359 3.873,360 2.873,361 5.871,362 3.448,363 2.509,364 3.402,366 8.06,367 2.334,368 3.811,369 2.653,370 5.14,371 3.321,372 2.381,373 3.302,375 6.302,376 2.207,377 3.319,378 2.054,379 4.816,380 2.871,381 1.929,382 2.627,384 5.352,385 1.812,386 3.081,387 1.974,388 4.734,389 2.586,390 1.643,391 2.296,393 4.773,394 1.533,395 3.024,396 1.618,397 4.48,398 2.467,399 1.527,400 2.28,402 4.434,403 1.43,404 2.855,405 1.525,406 4.291,407 2.345,408 1.385,409 2.013,411 3.881,412 1.327,413 2.822,414 1.418,415 4.142,416 2.293,417 1.378,418 1.945,420 3.673,421 1.203,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.918,431 0.704,432 3.216,433 1.387,434 0.441,435 0.643,436 1.133,437 0.41,438 1.487,439 0.579,440 3.168,441 1.056,442 0.195,443 0.242,445 0.492,446 0.151,447 1.12,448 0.381,449 2.748,450 0.673,451 -0.21,452 -0.261,454 -0.467,455 -0.176,456 1,457 -0.1,458 2.653,459 0.567,460 -0.371,461 -0.48,463 -1.065,464 -0.333,465 13.5,466 0.482,467 0.943,468 0.034,469 42.75,470 1.527,471 24,472 0.857,473 18.75,474 0.67,475 18.641,476 0.666,477 29.1,478 0.71,479 33.425,480 1.194,481 8.35,482 0.298,483 4.965,484 0.177,485 0.153,486 0.062,487 0.326,491 1,493 0.608,494 1.13,495 0.657,496 1.051,497 0.685,498 0.758,499 0.592,500 1.008,501 0.712,502 0.919,503 0.54,504 0.861,505 1.004,506 1.045,507 0.992,508 1.07,509 0.96,510 1.061,511 1.203,512 0.997,513 1.246,514 1.171,515 1.148,516 1.124,517 0.933,518 0.762,519 0.798,520 0.821,521 1.097,522 0.866,523 0.583,524 0.879,525 0.813,526 0.885,527 0.493,528 0.928,529 1.105,530 0.891,531 1.491,532 1.097,533 0.91,534 1.017,535 1.167,536 0.901,537 1.409,538 1.04,539 1.202,540 1.097,541 8,542 0.184,543 4.222,544 2.292,545 1.804,546 1.233,547 0.718,548 0.504,549 0.377,550 0.248,551 9894,552 36916,553 2.064,554 31.7,556 7,557 2,558 1,559 3,564 1.711,565 1.898,566 3.477,567 1.023,568 1,569 1,573 82.886,574 2.022,575 3.757,576 4.634,577 5.065,578 5.065,579 5.065,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17737.4,588 1,590 1,591 219.66,592 1.656,593 4.716,594 0.258,595 0.009,596 0.092,597 0.051,598 0.046,599 0.032,600 0.019,601 0.015,602 0.013,603 0.01,604 0.546,605 0.33,606 1,607 0.616,608 140.21,609 -0.025,610 -0.115,611 0.106,612 -0.069,613 -0.164,614 0.048,615 0.158,616 -0.021,617 0.003,618 -0.029,619 0.18,620 -0.051,621 -0.13,622 -0.042,623 -0.1,624 -0.076,625 -0.087,626 -0.137,627 -0.24,628 -0.103,629 -0.134,630 -0.096,631 -0.155,632 -0.111,633 0.037,634 0.026,635 0.143,636 0.099,637 -0.054,638 0.104,639 0.291,640 0.041,641 0.144,642 0.07,643 0.343,644 0.072,645 -0.181,646 -0.027,647 -0.186,648 -0.06,649 -0.091,650 -0.001,651 -0.141,652 -0.012,653 -0.24,654 -0.053,655 -0.181,656 -0.149,657 4.872,658 5.544,659 0.75,660 24.531,661 1.036,662 1.127,663 2.55,664 6.501,665 0.736,666 3.466,667 3.85,668 4.094,669 4.344,670 4.585,671 4.654,672 4.745,673 4.868,674 4.942,675 5.03,676 6.528,677 0.721,678 417.88,679 3.466,680 5.043,681 5.9,682 6.799,683 7.674,684 8.572,685 9.453,686 10.351,687 11.235,688 12.133,689 12.2,693 1,694 1,697 1,699 2,703 1,704 10,705 2,709 7,711 22,722 1,730 2,731 41,733 24,734 1,735 31,737 44,738 18,739 18,740 2,741 4,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 13,782 7,783 3,784 10,785 2,787 1,790 5,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 28,849 1,852 1,855 1,869 2,870 4.9,873 2,877 14.75,878 7.302,879 5.875,880 2.131,881 4.092,882 1.537,883 1.052,884 4.711,885 11.714,886 3.807,887 4.525,888 5.099,889 5.708,890 6.269,891 6.594,892 7.014,893 7.443,894 7.756,895 8.173,896 0.875,897 45,898 10.611,900 4.988,901 8.174,902 18.909,904 15.815,905 2.674,906 74.861,909 1,910 117.711,911 126.198,912 84.16,913 39.149,914 44.313,915 14.96,916 5.807,917 120.391,918 201.173,919 99.12,922 123.133,923 107.775,924 30.134,925 83.051,926 82.398,928 117.711,929 204.55,930 59.273,931 44.956,933 132.671,934 44.313,937 12.049,938 142.525,939 55.783,940 39.149,941 132.671,942 128.473,943 165.347,945 5.807,946 117.711,947 26.915,948 94.762,949 16.405,950 164.89,951 117.711,952 143.433,953 165.347,955 0.603,956 0.343,957 0.174,958 0.1,959 24,960 11,961 0.091,962 4,963 1,964 1.095,965 3.909,966 248.883,967 0.095,968 21,969 128.606,973 1,974 18.689,975 7.058,976 3.833,977 0.681,978 142.146,979 14.612,980 8.215,984 1.254,986 49.302,987 426.491,988 44,991 -3.956,993 25.088,999 42.494,1000 46.19,1001 0.377,1002 0.701,1003 0.865,1004 0.945,1005 0.945,1006 0.945,1007 5.059,1008 1.527,1009 5.943,1010 4.773,1011 4.533,1012 5.212,1014 6.806,1015 4.4,1016 6.339,1017 1.385,1018 7.546,1019 4.434,1020 4.369,1021 5.338,1023 7.978,1024 4.122,1025 7.707,1026 1.378,1027 9.255,1028 3.881,1029 6.232,1030 7.597,1032 11.005,1033 5.964,1034 9.115,1035 1,1036 11.029,1037 3.673,1038 6.836,1039 8.496,1041 12.998,1042 6.442,1043 10.553,1044 0.441,1045 12.846,1046 2.275,1047 8.249,1048 10.293,1050 15.63,1051 7.828,1052 12.015,1053 0.195,1054 14.695,1055 1.133,1056 9.183,1057 11.532,1059 17.941,1060 8.643,1061 13.494,1062 -0.21,1063 16.568,1064 0.492,1065 10.439,1066 13.158,1068 20.471,1069 9.852,1070 3.4,1071 -0.371,1072 18.46,1073 -0.467,1074 11.517,1075 14.551,1077 22.906,1078 10.821,1079 3.057,1080 12.528,1081 20.367,1082 -1.065,1083 12.722,1084 16.11,1086 25.416,1087 11.961,1088 2.847,1089 9.78,1090 22.287,1091 4.71,1092 13.863,1093 17.574,1095 27.9,1096 13.002,1097 2.509,1098 9.063,1099 24.218,1100 4.449,1101 15.055,1102 19.11,1104 30.412,1105 14.117,1106 2.381,1107 8.06,1108 26.157,1109 3.937,1110 16.227,1111 20.608,1113 32.918,1114 15.193,1115 1.929,1116 6.302,1117 28.104,1118 3.402,1119 17.42,1120 22.137,1122 35.435,1123 16.3,1124 1.643,1125 5.352,1126 30.057,1127 3.302,1128 18.608,1129 23.651,1131 37.952,1132 17.393,1133 9384,1134 18312,1135 20.285,1136 30.188,1137 47.729,1138 49.205,1139 48.986,1140 47.525,1141 47.384,1142 66.693,1144 143.492,1145 44.167,1146 5.694,1147 6.686,1148 6.726,1149 5.38,1150 5.4,1151 7.71,1153 19.92,1154 5.099,1155 15.216,1156 1.54,1157 1.587,1158 1.58,1159 1.533,1160 1.529,1161 2.151,1163 4.629,1164 1.425,1165 4.143,1166 4.182,1167 4.738,1168 4.077,1169 8.201,1170 4.031,1171 4.061,1172 4.05,1173 4.103,1174 3.97,1175 7.717,1176 3.95,1177 3.83,1178 3.864,1179 3.937,1180 3.718,1181 6.999,1182 3.731,1183 3.603,1184 3.586,1185 3.719,1186 3.511,1187 5.232,1188 3.446,1189 3.363,1190 3.412,1191 3.445,1192 3.235,1193 5.034,1194 3.237,1195 2.946,1196 3.003,1197 3.127,1198 2.849,1199 4.761,1200 2.838,1201 2.863,1202 2.961,1203 2.79,1204 2.735,1205 4.584,1206 2.715,1207 2.854,1208 2.925,1209 2.732,1210 2.621,1211 4.346,1212 2.634,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.71,1229 12.528,1230 3.099,1231 1.987,1232 1.981,1233 2.037,1234 2.099,1235 1.183,1236 2.097,1237 1.933,1238 1.918,1239 1.963,1240 2.019,1241 1.134,1242 2.041,1243 1.715,1244 1.68,1245 1.774,1246 1.862,1247 0.876,1248 1.85,1249 1.438,1250 1.43,1251 1.577,1252 1.68,1253 0.538,1254 1.656,1255 1.394,1256 1.376,1257 1.194,1258 1.559,1259 0.509,1260 1.588,1261 0.959,1262 0.933,1263 1.181,1264 1.16,1265 0.218,1266 1.162,1267 0.886,1268 0.821,1269 1.132,1270 1.062,1271 0.177,1272 1.107,1273 0.821,1274 0.733,1275 0.993,1276 1.056,1277 0.035,1278 1.063,1279 4.143,1281 5.509,1282 2.398,1283 7.057,1284 4.727,1285 8.683,1286 6.804,1287 10.35,1290 6.071,1291 13.058,1293 5.695,1296 2.39,1305 29.569,1306 82.886,1307 154.034,1308 190.008,1309 207.66,1310 207.66,1311 207.66,1312 59.824,1313 7.622,1314 102.38,1315 110.76,1316 23,1317 12.659,1318 4.644,1319 3.807,1320 42.45,1321 109,1322 114,1323 0.189,1324 187.211,1325 312.89,1326 448.555,1327 21515,1328 4.9,1329 19.889,1330 0.71,1331 0.562,1332 19.768,1333 15.746,1334 13.315,1335 0.43,1336 0.318,1337 8.029,1338 11.726,1339 7.744,1340 6.383,1341 14.03,1342 9.864,1343 13.13,1344 0.285,1345 0.174,1346 14.179,1347 8.011,1348 10.57,1349 0.179,1350 0.096,1351 11.63,1352 5.693,1353 8.568,1354 0.113,1355 0.052,1356 9.707,1357 3.941,1358 7.087,1359 0.073,1360 0.029,1361 8.311,1362 2.803,1363 0.296,1364 95.246,1365 0.222,1366 26.656,1367 0.52,1368 154,1369 561.226,1370 224.236,1371 572.2,1372 758.14,1373 524,1374 182,1375 508.947,1376 256.084,1377 556.58,1378 811.48,1379 520,1380 8.553}
{0 CHEMBL1822059,1 2.001,2 10.741,3 3.539,4 12.527,5 102.201,6 10.33,7 0.733,8 3.821,9 3.896,10 3.802,11 3.471,12 5.042,13 3.456,14 4.312,15 4.411,16 4.133,17 3.844,18 5.815,19 3.83,20 4.528,21 4.667,22 4.187,23 3.961,24 5.888,25 3.907,26 4.558,27 4.712,28 4.128,29 3.889,30 5.899,31 3.816,32 4.468,33 4.636,34 4.1,35 3.744,36 5.914,37 3.715,38 4.304,39 4.447,40 4.035,41 3.721,42 5.917,43 3.678,44 4.322,45 4.482,46 3.936,47 3.681,48 5.66,49 3.615,50 4.176,51 4.324,52 3.79,53 3.53,54 5.568,55 3.468,56 0.158,57 0.675,58 4.999,59 3.423,60 21.026,61 2.867,62 0.45,63 1.058,64 7.892,65 5.313,66 50.438,67 4.755,68 0.55,69 1.274,70 14.969,71 7.86,72 59.421,73 7.098,74 0.668,75 1.206,76 26.199,77 8.809,78 83.1,79 7.568,80 0.766,81 1.051,82 18.766,83 7.27,84 106.666,85 6.788,86 0.613,87 0.987,88 12.168,89 6.054,90 88.278,91 6.139,92 0.551,93 0.926,94 20.907,95 6.562,96 57.102,97 6.017,98 0.517,99 0.796,100 15.818,101 5.644,102 56.747,103 5.188,104 17,105 44,106 0.346,107 0.614,108 0.783,109 0.87,110 0.87,111 0.87,112 3.34,113 0.965,114 -3.73,115 -3.69,116 -3.51,119 46.2,142 7,143 2,144 3,145 2,147 1,151 2,161 1,172 6,174 2,175 5,178 2,180 1,183 5,187 9,190 1,192 4,195 5,199 9,204 3,207 2,211 3,212 6,217 1,220 3,224 5,227 1,229 1,232 7,236 1,237 5,245 7,249 2,250 2,253 1,258 4,263 3,271 4,275 1111,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.03,282 7.599,283 10.262,284 18.498,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 10.446,291 3.678,292 4.875,293 15.85,294 3.284,295 1.736,296 0.76,297 0.256,298 0.256,299 0.256,300 4.033,302 1,304 1,305 1,306 637,307 3.317,310 66.353,311 249.684,314 112.695,318 1.676,319 40.577,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.833,331 290,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.099,341 4.47,342 3.187,343 6.321,344 3.984,345 3.025,346 4.391,348 9.673,349 2.911,350 4.236,351 2.966,352 6.108,353 3.732,354 2.808,355 3.925,357 8.909,358 2.593,359 3.855,360 2.873,361 5.858,362 3.419,363 2.476,364 3.398,366 8.003,367 2.317,368 3.797,369 2.589,370 5.14,371 3.314,372 2.377,373 3.264,375 6.301,376 2.193,377 3.083,378 1.988,379 4.734,380 2.59,381 1.644,382 2.302,384 4.775,385 1.543,386 3.034,387 1.643,388 4.459,389 2.495,390 1.535,391 2.296,393 4.372,394 1.469,395 2.97,396 1.534,397 4.292,398 2.439,399 1.49,400 2.189,402 3.999,403 1.401,404 2.828,405 1.488,406 4.144,407 2.297,408 1.383,409 1.952,411 3.685,412 1.215,413 2.541,414 1.063,415 3.437,416 2,417 1.048,418 1.562,420 2.377,421 1,422 2.5,423 1,424 3.414,425 1.992,426 1,427 1.5,428 2.275,429 0.983,430 1.916,431 0.699,432 3.216,433 1.385,434 0.437,435 0.639,436 1.059,437 0.408,438 1.486,439 0.574,440 3.045,441 1.054,442 0.194,443 0.241,445 0.486,446 0.15,447 1.12,448 0.38,449 2.717,450 0.671,451 -0.211,452 -0.262,454 -0.468,455 -0.177,456 1,457 -0.102,458 2.648,459 0.54,460 -0.393,461 -0.51,463 -1.132,464 -0.346,465 13.1,466 0.485,467 0.837,468 0.031,469 41.5,470 1.537,471 23.5,472 0.87,473 18,474 0.667,475 17.532,476 0.649,477 27.7,478 0.71,479 31.489,480 1.166,481 8.128,482 0.301,483 4.793,484 0.178,485 0.127,486 0.064,487 0.298,491 1,493 0.54,494 1.145,495 0.639,496 1.095,497 0.614,498 0.792,499 0.621,500 1.002,501 0.74,502 0.912,503 0.56,504 0.874,505 0.993,506 1.047,507 0.985,508 1.066,509 0.942,510 1.052,511 1.217,512 1.006,513 1.285,514 1.208,515 1.204,516 1.168,517 0.908,518 0.707,519 0.771,520 0.782,521 1.079,522 0.814,523 0.605,524 0.892,525 0.836,526 0.882,527 0.503,528 0.909,529 1.132,530 0.874,531 1.56,532 1.122,533 0.941,534 1.066,535 1.187,536 0.859,537 1.417,538 0.988,539 1.202,540 1.023,541 7,542 0.148,543 4.222,544 1.819,545 1.724,546 1.128,547 0.637,548 0.464,549 0.34,550 0.212,551 9029,552 33297,553 2.088,554 30.8,556 7,557 2,558 2,559 1,564 1.701,565 1.94,566 3.406,567 -0.236,569 1,573 78.052,574 2.001,575 3.549,576 4.525,577 5.029,578 5.029,579 5.029,580 2.908,581 4.255,582 4.728,583 3.544,584 1244,585 8.209,586 15753,588 1,590 1,591 206.131,592 1.596,593 4.673,594 0.233,595 0.008,596 0.096,597 0.042,598 0.047,599 0.031,600 0.018,601 0.015,602 0.013,603 0.009,604 0.512,605 0.33,606 1,607 0.584,608 133.327,609 0.022,610 -0.176,611 0.12,612 -0.133,613 -0.124,614 0.001,615 0.13,616 -0.034,617 -0.033,618 -0.045,619 0.159,620 -0.088,621 -0.121,622 -0.065,623 -0.077,624 -0.069,625 -0.062,626 -0.112,627 -0.242,628 -0.111,629 -0.164,630 -0.131,631 -0.182,632 -0.16,633 0.074,634 0.064,635 0.203,636 0.159,637 -0.022,638 0.194,639 0.301,640 0.054,641 0.117,642 0.057,643 0.372,644 0.043,645 -0.198,646 -0.004,647 -0.242,648 -0.092,649 -0.115,650 -0.06,651 -0.139,652 0.01,653 -0.192,654 0.023,655 -0.16,656 -0.035,657 4.85,658 5.521,659 0.778,660 22.746,661 1.036,662 1.12,663 2.497,664 6.234,665 0.748,666 3.434,667 3.807,668 4.06,669 4.29,670 4.522,671 4.605,672 4.673,673 4.779,674 4.86,675 4.942,676 6.307,677 0.732,678 402.86,679 3.434,680 5.004,681 5.861,682 6.753,683 7.627,684 8.52,685 9.399,686 10.293,687 11.174,688 12.068,689 10.3,694 1,697 1,699 2,703 1,704 11,705 2,709 6,711 22,730 2,731 39,733 24,734 1,735 30,737 42,738 18,739 18,740 2,741 4,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 12,782 6,783 1,784 9,785 2,787 1,790 4,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 27,852 1,855 1,869 2,870 5.1,873 2,877 13.917,878 7.052,879 5.708,880 2.092,881 4.082,882 1.544,883 1.048,884 4.501,885 11.592,886 3.784,887 4.491,888 5.071,889 5.662,890 6.209,891 6.545,892 6.944,893 7.353,894 7.666,895 8.089,896 1,897 43,898 10.246,900 4.81,901 8.137,902 18.342,904 15.341,905 2.637,906 71.194,910 129.482,911 132.918,912 51.263,913 39.149,914 44.313,915 14.96,916 5.807,917 127.11,918 212.944,919 66.223,922 90.236,923 119.547,924 39.181,925 80.723,926 82.398,928 129.482,929 178.373,930 59.273,931 44.956,933 144.442,934 44.313,937 21.097,938 107.3,939 55.783,940 39.149,941 144.442,942 95.575,943 172.066,945 5.807,946 129.482,947 24.587,948 103.81,949 16.405,950 131.993,951 129.482,952 110.536,953 172.066,955 0.6,956 0.345,957 0.173,958 0.096,959 23,960 10,961 0.095,962 4,963 1,964 1.095,965 3.854,966 236.521,967 0.095,968 21,969 118.382,973 1,974 17.774,975 6.837,976 3.613,977 0.79,978 109.249,979 16.678,980 8.25,984 1.02,986 16.405,987 412.084,988 43,991 -3.934,993 25.041,999 40.393,1000 43.692,1001 0.379,1002 0.672,1003 0.856,1004 0.951,1005 0.951,1006 0.951,1007 5.027,1008 1.49,1009 5.894,1010 4.372,1011 4.489,1012 5.179,1014 6.753,1015 4.357,1016 6.299,1017 1.383,1018 7.495,1019 3.999,1020 4.29,1021 5.27,1023 7.941,1024 4.039,1025 7.664,1026 1.048,1027 9.205,1028 3.685,1029 6.184,1030 7.56,1032 10.964,1033 5.918,1034 9.07,1035 1,1036 10.983,1037 2.377,1038 6.781,1039 8.45,1041 12.973,1042 6.385,1043 10.508,1044 0.437,1045 12.805,1046 2.275,1047 8.203,1048 10.256,1050 15.601,1051 7.784,1052 11.971,1053 0.194,1054 14.659,1055 1.059,1056 9.136,1057 11.49,1059 17.921,1060 8.595,1061 13.452,1062 -0.211,1063 16.537,1064 0.486,1065 10.395,1066 13.117,1068 20.45,1069 9.809,1070 3.4,1071 -0.393,1072 18.433,1073 -0.468,1074 11.473,1075 14.506,1077 22.889,1078 10.777,1079 3.025,1080 12.528,1081 20.344,1082 -1.132,1083 12.679,1084 16.065,1086 25.401,1087 11.919,1088 2.808,1089 9.673,1090 22.267,1091 4.709,1092 13.822,1093 17.526,1095 27.889,1096 12.96,1097 2.476,1098 8.909,1099 24.199,1100 4.391,1101 15.015,1102 19.061,1104 30.402,1105 14.077,1106 2.377,1107 8.003,1108 26.141,1109 3.925,1110 16.188,1111 20.556,1113 32.91,1114 15.152,1115 1.644,1116 6.301,1117 28.089,1118 3.398,1119 17.383,1120 22.084,1122 35.428,1123 16.261,1124 1.535,1125 4.775,1126 30.044,1127 3.264,1128 18.572,1129 23.596,1131 37.946,1132 17.355,1133 8511,1134 16526,1135 19.879,1136 29.182,1137 45.885,1138 47.35,1139 46.693,1140 45.774,1141 45.632,1142 64.736,1144 136.883,1145 42.562,1146 5.694,1147 6.686,1148 6.821,1149 5.38,1150 5.4,1151 7.709,1153 19.92,1154 5.099,1155 13.064,1156 1.529,1157 1.578,1158 1.556,1159 1.526,1160 1.521,1161 2.158,1163 4.563,1164 1.419,1165 4.139,1166 4.176,1167 4.738,1168 4.077,1169 8.201,1170 4.028,1171 4.059,1172 4.05,1173 4.095,1174 3.968,1175 7.717,1176 3.949,1177 3.827,1178 3.861,1179 3.933,1180 3.716,1181 6.999,1182 3.728,1183 3.601,1184 3.581,1185 3.719,1186 3.51,1187 5.094,1188 3.444,1189 3.315,1190 3.354,1191 3.423,1192 3.212,1193 5,1194 3.207,1195 2.946,1196 2.998,1197 3.079,1198 2.845,1199 4.584,1200 2.834,1201 2.854,1202 2.925,1203 2.784,1204 2.735,1205 4.414,1206 2.715,1207 2.805,1208 2.879,1209 2.718,1210 2.606,1211 4.142,1212 2.617,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.86,1219 0.157,1220 4.686,1222 7.311,1223 0.418,1224 4.319,1225 0.103,1226 3.4,1227 4.709,1229 12.528,1230 3.099,1231 1.987,1232 1.981,1233 2.038,1234 2.099,1235 1.183,1236 2.097,1237 1.933,1238 1.918,1239 1.963,1240 2.019,1241 1.134,1242 2.041,1243 1.715,1244 1.68,1245 1.774,1246 1.862,1247 0.876,1248 1.85,1249 1.399,1250 1.43,1251 1.564,1252 1.589,1253 0.555,1254 1.592,1255 1.393,1256 1.34,1257 1.194,1258 1.558,1259 0.52,1260 1.581,1261 0.958,1262 0.933,1263 1.181,1264 1.119,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.039,1270 1.062,1271 0.177,1272 1.107,1273 0.766,1274 0.691,1275 0.993,1276 0.996,1277 0.059,1278 1.009,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.639,1286 6.581,1287 10.305,1290 6.067,1291 13.041,1296 2.401,1305 28.547,1306 78.052,1307 138.425,1308 176.479,1309 196.131,1310 196.131,1311 196.131,1312 55.152,1313 7.509,1314 76.36,1315 84.74,1316 23,1317 12.596,1318 4.644,1319 3.807,1320 40.202,1321 101,1322 107,1323 0.192,1324 180.417,1325 301.89,1326 431.977,1327 18792,1328 5.1,1329 19.018,1330 0.704,1331 0.565,1332 18.898,1333 15.246,1334 12.921,1335 0.431,1336 0.322,1337 7.828,1338 11.361,1339 7.546,1340 6.217,1341 13.637,1342 9.654,1343 12.484,1344 0.284,1345 0.177,1346 13.534,1347 7.773,1348 10.309,1349 0.181,1350 0.098,1351 11.37,1352 5.612,1353 8.215,1354 0.114,1355 0.053,1356 9.354,1357 3.85,1358 6.654,1359 0.073,1360 0.03,1361 7.878,1362 2.719,1363 0.3,1364 92.641,1365 0.224,1366 25.837,1367 0.531,1368 148,1369 543.914,1370 216.82,1371 553.472,1372 733.09,1373 508,1374 175,1375 487.75,1376 247.891,1377 534.647,1378 779.64,1379 500,1380 7.638}
{0 CHEMBL1822060,1 2.015,2 12.871,3 3.415,4 11.659,5 115.199,6 9.998,7 0.647,8 3.975,9 4.061,10 3.903,11 3.586,12 5.21,13 3.578,14 4.468,15 4.579,16 4.251,17 3.956,18 5.974,19 3.945,20 4.693,21 4.836,22 4.301,23 4.064,24 6.071,25 4.028,26 4.722,27 4.884,28 4.28,29 4.026,30 6.085,31 3.967,32 4.654,33 4.822,34 4.251,35 3.919,36 6.098,37 3.907,38 4.537,39 4.695,40 4.178,41 3.917,42 6.082,43 3.874,44 4.523,45 4.672,46 4.086,47 3.889,48 5.878,49 3.824,50 4.467,51 4.645,52 3.959,53 3.748,54 5.779,55 3.689,56 0.207,57 0.799,58 6.586,59 4.012,60 26.52,61 3.49,62 0.549,63 1.234,64 11.218,65 6.661,66 62.754,67 6.663,68 0.754,69 1.478,70 18.665,71 8.719,72 90.523,73 7.46,74 0.825,75 1.403,76 30.398,77 9.952,78 102.184,79 9.331,80 0.908,81 1.268,82 21.563,83 7.947,84 125.373,85 7.237,86 0.736,87 1.208,88 16.518,89 7.66,90 103.804,91 8.149,92 0.645,93 1.11,94 22.216,95 8.083,96 75.299,97 7.671,98 0.66,99 1.041,100 22.299,101 7.452,102 84.507,103 7.63,104 39,105 50,106 0.337,107 0.677,108 0.798,109 0.87,110 0.87,111 0.87,112 3.472,113 0.952,114 -3.41,115 -3.39,116 -3.24,119 43.5,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 7,174 1,175 4,178 5,179 1,180 3,183 7,187 8,190 1,192 6,195 7,198 1,199 11,202 1,204 7,207 2,211 2,212 6,217 5,220 3,223 1,224 6,229 3,232 10,237 8,240 2,242 1,245 9,250 4,253 1,254 1,258 7,262 2,263 1,267 1,268 1,271 7,275 1630,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.438,283 11.606,284 20.778,285 16.792,286 16.792,287 16.792,288 16.792,289 16.792,290 12.09,291 13.437,292 5.564,293 17.814,294 3.509,295 1.479,296 0.756,297 0.321,298 0.321,299 0.321,300 4.161,302 1,304 1,305 1,306 857,307 3.937,310 76.491,311 297.329,314 133.384,318 1.948,319 50.917,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 69.333,331 399,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 1.907,339 12.528,340 3.1,341 4.518,342 3.536,343 6.354,344 4.036,345 3.068,346 4.454,347 0.149,348 9.826,349 2.974,350 4.262,351 3.188,352 6.155,353 3.803,354 2.86,355 3.939,357 9.118,358 2.701,359 3.887,360 3.024,361 5.877,362 3.473,363 2.536,364 3.404,366 8.09,367 2.355,368 3.817,369 2.873,370 5.255,371 3.332,372 2.385,373 3.315,375 6.597,376 2.264,377 3.623,378 2.657,379 5.14,380 3.258,381 2.28,382 2.885,384 6.3,385 2.181,386 3.202,387 2.116,388 4.734,389 2.73,390 1.75,391 2.415,393 4.775,394 1.693,395 3.081,396 1.981,397 4.489,398 2.585,399 1.642,400 2.296,402 4.487,403 1.532,404 3.023,405 1.621,406 4.386,407 2.488,408 1.526,409 2.275,411 4.383,412 1.464,413 2.851,414 1.526,415 4.275,416 2.346,417 1.384,418 2,420 3.859,421 1.33,422 2.821,423 1.428,424 4.142,425 2.293,426 1.371,427 1.944,428 3.672,429 1.204,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 0.707,440 3.216,441 1.38,442 0.442,443 0.643,445 1.135,446 0.407,447 1.488,448 0.604,449 3.168,450 1.056,451 0.195,452 0.242,454 0.493,455 0.151,456 1.12,457 0.562,458 2.758,459 0.731,460 -0.203,461 -0.249,463 -0.463,464 -0.174,465 14.833,466 0.478,467 1.05,468 0.034,469 46,470 1.484,471 25.5,472 0.823,473 20.5,474 0.661,475 22.32,476 0.72,477 32.567,478 0.708,479 37.611,480 1.213,481 9.057,482 0.292,483 5.651,484 0.182,485 0.169,486 0.056,487 0.337,491 1,493 0.598,494 1.142,495 0.656,496 1.06,497 0.62,498 0.785,499 0.517,500 1,501 0.685,502 0.945,503 0.533,504 0.887,505 1.155,506 1.067,507 1.037,508 1.004,509 1.081,510 1.009,511 1.052,512 1.04,513 1.182,514 1.154,515 1.014,516 1.091,517 0.996,518 0.774,519 0.811,520 0.769,521 1.051,522 0.81,523 0.604,524 0.882,525 0.808,526 0.885,527 0.486,528 0.925,529 1.098,530 0.93,531 1.479,532 1.142,533 0.965,534 1.146,535 1.023,536 0.856,537 1.216,538 1.008,539 0.991,540 1.019,541 9,542 0.246,543 4.222,544 2.542,545 1.929,546 1.504,547 0.8,548 0.586,549 0.427,550 0.278,551 13121,552 50256,553 2.038,554 32.6,556 8,558 1,559 3,560 3,564 1.736,565 1.869,566 3.64,567 0.972,569 1,573 92.677,574 2.015,575 4.044,576 4.768,577 5.203,578 5.203,579 5.203,580 3.112,581 4.567,582 4.922,583 3.789,584 1761.94,585 8.597,586 25129.3,591 254.084,592 1.663,593 4.859,594 0.265,595 0.009,596 0.084,597 0.052,598 0.043,599 0.034,600 0.019,601 0.015,602 0.013,603 0.009,604 0.543,605 0.33,606 1,607 0.938,608 161.758,609 -0.023,610 -0.108,611 0.104,612 -0.062,613 -0.123,614 0.044,615 0.219,616 -0.007,617 0.052,618 -0.031,619 0.172,620 -0.037,621 -0.232,622 -0.044,623 -0.137,624 -0.016,625 -0.154,626 -0.1,627 -0.133,628 -0.118,629 -0.086,630 -0.093,631 -0.094,632 -0.09,633 -0.051,634 0.053,635 0.111,636 0.134,637 -0.077,638 0.136,639 0.223,640 0.063,641 0.113,642 0.057,643 0.293,644 0.053,645 -0.202,646 -0.055,647 -0.264,648 -0.121,649 -0.13,650 -0.16,651 -0.109,652 -0.006,653 -0.068,654 -0.013,655 -0.114,656 0.021,657 4.91,658 5.61,659 0.677,660 32.416,661 1.037,662 1.126,663 2.177,664 4.741,665 0.726,666 3.555,667 3.932,668 4.159,669 4.419,670 4.663,671 4.779,672 4.883,673 4.997,674 5.118,675 5.226,676 7.324,677 0.713,678 459.92,679 3.555,680 5.13,681 5.979,682 6.876,683 7.746,684 8.645,685 9.524,686 10.423,687 11.306,688 12.206,689 10.9,694 1,696 1,697 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,730 2,731 46,733 25,734 2,735 34,737 49,738 20,739 18,740 5,741 7,746 4,747 5,748 1,752 1,761 19,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 15,782 8,783 3,784 11,785 2,787 1,790 5,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,845 1,846 1,848 31,852 1,855 2,869 2,870 6.5,873 3,877 16.583,878 8.602,879 6.542,880 2.469,881 4.191,882 1.53,883 1.031,884 5.67,885 12.093,886 3.892,887 4.588,888 5.135,889 5.752,890 6.318,891 6.687,892 7.122,893 7.545,894 7.905,895 8.34,896 0.889,897 49,898 11.748,900 5.473,901 8.216,902 20.894,904 17.28,905 2.716,906 84.194,909 1,910 141.253,911 133.253,912 84.772,913 39.149,914 69.458,915 14.96,916 5.807,917 127.446,918 249.86,919 99.732,920 8.825,921 18.011,922 81.617,923 135.91,924 49.676,925 59.325,926 129.482,928 141.253,929 212.218,930 84.418,931 44.956,933 156.213,934 69.458,937 56.712,938 105.53,939 55.783,940 39.149,941 156.213,942 154.23,943 172.402,945 5.807,946 141.253,947 33.763,948 93.683,949 51.201,950 157.138,951 141.253,952 169.19,953 172.402,955 0.599,956 0.331,957 0.17,958 0.098,959 25,960 12,961 0.102,962 5,963 1,964 1.095,965 4.157,966 282.324,967 0.095,968 21,969 147.58,973 1,974 21.253,975 8.27,976 4.693,977 1.316,978 152.405,979 12.793,980 8.374,981 2.981,984 0.997,986 51.201,987 482.846,988 48,991 -3.993,993 36.434,997 -0.251,999 47.705,1000 51.815,1001 0.365,1002 0.732,1003 0.863,1004 0.942,1005 0.942,1006 0.942,1007 5.145,1008 1.642,1009 6.019,1010 4.775,1011 4.615,1012 5.276,1013 1.953,1014 6.872,1015 4.502,1016 6.417,1017 1.526,1018 7.614,1019 4.487,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.237,1025 7.779,1026 1.384,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.046,1033 6.068,1034 9.179,1035 1.371,1036 11.081,1037 3.859,1038 6.889,1039 8.524,1040 3.032,1041 13.022,1042 6.547,1043 10.61,1044 1,1045 12.891,1046 3.672,1047 8.3,1048 10.314,1049 4.037,1050 15.652,1051 7.929,1052 12.064,1053 0.442,1054 14.732,1055 2.275,1056 9.221,1057 11.547,1058 4.409,1059 17.955,1060 8.741,1061 13.537,1062 0.195,1063 16.599,1064 1.135,1065 10.476,1066 13.17,1067 5.25,1068 20.483,1069 9.95,1070 3.4,1071 -0.203,1072 18.486,1073 0.493,1074 11.546,1075 14.56,1076 5.75,1077 22.915,1078 10.918,1079 3.068,1080 12.528,1081 20.389,1082 -0.463,1083 12.749,1084 16.119,1085 6.501,1086 25.423,1087 12.059,1088 2.86,1089 9.826,1090 22.305,1091 4.71,1092 13.886,1093 17.581,1094 7.068,1095 27.906,1096 13.1,1097 2.536,1098 9.118,1099 24.232,1100 4.454,1101 15.077,1102 19.117,1103 7.771,1104 30.417,1105 14.217,1106 2.385,1107 8.09,1108 26.169,1109 3.939,1110 16.246,1111 20.614,1112 8.374,1113 32.922,1114 15.292,1115 2.28,1116 6.597,1117 28.114,1118 3.404,1119 17.438,1120 22.143,1121 9.051,1122 35.438,1123 16.402,1124 1.75,1125 6.3,1126 30.065,1127 3.315,1128 18.624,1129 23.657,1130 9.674,1131 37.954,1132 17.496,1133 12601,1134 24855,1135 22.076,1136 33.404,1137 52.171,1138 54.085,1139 53.479,1140 51.76,1141 51.682,1142 72.046,1143 4.112,1144 155.078,1145 48.714,1146 5.694,1147 6.686,1148 6.726,1149 5.378,1150 5.4,1151 7.71,1152 3.306,1153 19.92,1154 5.1,1155 18.251,1156 1.534,1157 1.591,1158 1.573,1159 1.522,1160 1.52,1161 2.119,1162 0.121,1163 4.561,1164 1.433,1165 4.139,1166 4.17,1167 4.738,1168 4.081,1169 8.201,1170 4.043,1171 4.059,1172 4.049,1173 4.097,1174 3.993,1175 7.717,1176 3.956,1177 3.835,1178 3.87,1179 3.939,1180 3.723,1181 7.43,1182 3.736,1183 3.615,1184 3.631,1185 3.719,1186 3.511,1187 6.999,1188 3.451,1189 3.554,1190 3.563,1191 3.532,1192 3.346,1193 5.093,1194 3.364,1195 3.285,1196 3.336,1197 3.361,1198 3.118,1199 5.001,1200 3.129,1201 2.933,1202 2.99,1203 3.064,1204 2.819,1205 4.584,1206 2.811,1207 2.854,1208 2.925,1209 2.784,1210 2.735,1211 4.433,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.056,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.1,1231 1.993,1232 1.986,1233 2.047,1234 2.075,1235 1.195,1236 2.088,1237 1.937,1238 1.932,1239 1.963,1240 2.01,1241 1.142,1242 2.029,1243 1.726,1244 1.696,1245 1.788,1246 1.87,1247 0.892,1248 1.853,1249 1.544,1250 1.487,1251 1.738,1252 1.816,1253 0.738,1254 1.791,1255 1.397,1256 1.431,1257 1.45,1258 1.568,1259 0.54,1260 1.593,1261 1.254,1262 1.184,1263 1.188,1264 1.519,1265 0.431,1266 1.515,1267 0.96,1268 0.933,1269 1.181,1270 1.115,1271 0.218,1272 1.114,1273 0.886,1274 0.821,1275 1.112,1276 1.062,1277 0.187,1278 1.107,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.748,1286 6.823,1287 10.408,1289 1.381,1290 6.094,1291 13.107,1296 4.961,1305 32.81,1306 92.677,1307 186.045,1308 219.329,1309 239.329,1310 239.329,1311 239.329,1312 73.87,1313 7.902,1314 116.84,1315 125.22,1316 23,1317 12.732,1318 4.7,1319 3.907,1320 49.519,1321 136,1322 138,1323 0.178,1324 207.465,1325 353.64,1326 497.973,1327 30778,1328 4.3,1329 22.173,1330 0.715,1331 0.566,1332 22.053,1333 17.552,1334 14.708,1335 0.433,1336 0.317,1337 8.941,1338 13.046,1339 8.597,1340 7.103,1341 15.424,1342 10.789,1343 14.52,1344 0.29,1345 0.173,1346 15.57,1347 8.661,1348 11.236,1349 0.178,1350 0.095,1351 12.297,1352 6.001,1353 9.25,1354 0.113,1355 0.051,1356 10.389,1357 4.17,1358 7.544,1359 0.072,1360 0.028,1361 8.768,1362 2.955,1363 0.281,1364 104.14,1365 0.213,1366 29.213,1367 0.48,1368 168,1369 630.67,1370 241.171,1371 635.057,1372 836.65,1373 582,1374 197,1375 558.725,1376 272.385,1377 605.166,1378 880.89,1379 566,1380 8.481}
{0 CHEMBL1822208,1 2.022,2 11.393,3 3.548,4 12.585,5 106.817,6 10.192,7 0.71,8 3.872,9 3.96,10 3.827,11 3.5,12 5.112,13 3.489,14 4.351,15 4.452,16 4.173,17 3.881,18 5.872,19 3.865,20 4.58,21 4.724,22 4.227,23 3.992,24 5.95,25 3.946,26 4.618,27 4.78,28 4.168,29 3.935,30 5.953,31 3.863,32 4.517,33 4.683,34 4.142,35 3.789,36 5.979,37 3.766,38 4.384,39 4.546,40 4.061,41 3.759,42 5.964,43 3.715,44 4.348,45 4.504,46 3.969,47 3.73,48 5.698,49 3.662,50 4.269,51 4.426,52 3.86,53 3.584,54 5.669,55 3.537,56 0.19,57 0.735,58 5.834,59 3.517,60 27.587,61 2.897,62 0.465,63 1.13,64 8.73,65 5.805,66 56.965,67 5.606,68 0.601,69 1.36,70 15.823,71 7.949,72 67.099,73 7.032,74 0.709,75 1.269,76 28.046,77 9.294,78 91.013,79 8.384,80 0.782,81 1.106,82 19.03,83 7.344,84 114.334,85 6.852,86 0.675,87 1.055,88 14.456,89 6.509,90 98.659,91 6.746,92 0.54,93 0.952,94 20.413,95 6.868,96 60.02,97 6.5,98 0.541,99 0.885,100 17.387,101 5.882,102 70.827,103 5.444,104 26,105 46,106 0.347,107 0.64,108 0.785,109 0.868,110 0.868,111 0.868,112 3.375,113 0.956,114 -3.37,115 -3.36,116 -3.21,119 43.9,142 8,143 2,144 3,145 1,146 1,147 1,152 1,162 1,163 1,164 1,165 1,172 7,174 1,175 3,177 1,178 4,179 1,180 2,182 1,183 7,187 8,190 1,192 6,195 7,199 10,204 6,207 2,209 2,211 2,212 6,217 5,220 3,222 2,223 1,224 4,229 3,232 8,234 1,237 6,240 2,242 1,245 7,247 1,250 3,252 1,253 1,254 1,258 6,262 2,267 1,268 1,270 1,271 6,275 1216,276 18.367,277 18.367,278 18.367,279 18.367,280 18.367,281 15.453,282 10.761,283 10.449,284 18.932,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.867,291 6.178,292 4.993,293 16.331,294 3.336,295 1.623,296 0.78,297 0.293,298 0.293,299 0.293,300 4.065,302 1,304 1,305 1,306 696,307 3.391,310 68.547,311 260.92,314 117.318,318 1.707,319 44.841,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.333,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.1,341 4.511,342 3.189,343 6.346,344 4.027,345 3.057,346 4.449,348 9.78,349 2.97,350 4.257,351 3.028,352 6.144,353 3.788,354 2.847,355 3.937,357 9.063,358 2.686,359 3.873,360 2.873,361 5.871,362 3.447,363 2.509,364 3.402,366 8.06,367 2.333,368 3.811,369 2.653,370 5.14,371 3.32,372 2.381,373 3.302,375 6.302,376 2.205,377 3.319,378 2.054,379 4.816,380 2.86,381 1.929,382 2.627,384 5.352,385 1.788,386 3.081,387 1.974,388 4.734,389 2.586,390 1.643,391 2.296,393 4.773,394 1.533,395 3.024,396 1.618,397 4.48,398 2.489,399 1.527,400 2.28,402 4.434,403 1.465,404 2.855,405 1.525,406 4.291,407 2.35,408 1.385,409 2.013,411 3.881,412 1.333,413 2.822,414 1.418,415 4.142,416 2.293,417 1.378,418 1.945,420 3.673,421 1.204,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.918,431 0.704,432 3.216,433 1.38,434 0.441,435 0.643,436 1.133,437 0.407,438 1.487,439 0.579,440 3.168,441 1.056,442 0.195,443 0.242,445 0.492,446 0.151,447 1.12,448 0.381,449 2.748,450 0.674,451 -0.21,452 -0.261,454 -0.467,455 -0.176,456 1,457 -0.1,458 2.653,459 0.576,460 -0.371,461 -0.48,463 -1.065,464 -0.335,465 13.5,466 0.482,467 0.943,468 0.034,469 42.5,470 1.518,471 24,472 0.857,473 18.5,474 0.661,475 18.849,476 0.673,477 29.1,478 0.71,479 33.217,480 1.186,481 8.315,482 0.297,483 4.999,484 0.179,485 0.153,486 0.062,487 0.333,491 1,493 0.622,494 1.056,495 0.665,496 1.003,497 0.694,498 0.722,499 0.528,500 0.971,501 0.7,502 0.943,503 0.533,504 0.891,505 1.046,506 1.049,507 1.001,508 1.044,509 0.969,510 1.035,511 1.172,512 1.017,513 1.237,514 1.202,515 1.146,516 1.152,517 0.935,518 0.814,519 0.783,520 0.833,521 1.099,522 0.86,523 0.636,524 0.861,525 0.832,526 0.845,527 0.515,528 0.884,529 1.122,530 0.895,531 1.54,532 1.109,533 0.921,534 1.067,535 1.191,536 0.907,537 1.354,538 1.08,539 1.19,540 1.067,541 8,542 0.184,543 4.222,544 2.292,545 1.804,546 1.233,547 0.718,548 0.504,549 0.377,550 0.248,551 9894,552 36926,553 2.064,554 31.7,556 8,558 1,559 4,564 1.711,565 1.898,566 3.477,567 1.768,569 1,573 82.886,574 2.022,575 3.735,576 4.577,577 5.065,578 5.065,579 5.065,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17737.4,588 1,590 1,591 219.66,592 1.656,593 4.716,594 0.258,595 0.009,596 0.092,597 0.051,598 0.046,599 0.032,600 0.019,601 0.015,602 0.013,603 0.01,604 0.546,605 0.17,606 1,607 0.616,608 140.21,609 -0.039,610 -0.039,611 0.098,612 -0.019,613 -0.17,614 0.085,615 0.211,616 0.008,617 0.012,618 -0.046,619 0.189,620 -0.072,621 -0.167,622 -0.043,623 -0.108,624 -0.052,625 -0.096,626 -0.114,627 -0.218,628 -0.13,629 -0.127,630 -0.123,631 -0.153,632 -0.133,633 0.033,634 -0.034,635 0.165,636 0.093,637 -0.051,638 0.123,639 0.26,640 0.08,641 0.125,642 0.101,643 0.338,644 0.091,645 -0.202,646 -0.025,647 -0.241,648 -0.068,649 -0.098,650 -0.068,651 -0.18,652 -0.035,653 -0.177,654 -0.088,655 -0.183,656 -0.09,657 4.875,658 5.542,659 0.75,660 24.531,661 1.036,662 1.127,663 2.144,664 4.595,665 0.736,666 3.466,667 3.85,668 4.094,669 4.344,670 4.585,671 4.654,672 4.745,673 4.868,674 4.942,675 5.03,676 6.528,677 0.721,678 417.88,679 3.466,680 5.043,681 5.9,682 6.799,683 7.674,684 8.572,685 9.453,686 10.351,687 11.235,688 12.133,689 12.2,693 1,694 1,697 1,699 2,703 2,704 9,705 2,706 1,709 7,711 22,722 1,730 2,731 41,733 24,734 2,735 31,737 44,738 18,739 18,740 5,741 7,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 13,782 7,783 4,784 10,785 2,787 1,790 5,794 0.75,795 2,805 1,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 28,849 1,852 1,855 1,869 2,870 4.9,873 2,877 14.75,878 7.269,879 5.875,880 2.135,881 4.092,882 1.537,883 1.059,884 4.711,885 11.714,886 3.807,887 4.525,888 5.099,889 5.708,890 6.269,891 6.594,892 7.014,893 7.443,894 7.756,895 8.173,896 0.875,897 45,898 10.615,900 5.001,901 8.18,902 18.902,904 15.847,905 2.68,906 75.028,909 1,910 105.94,911 119.724,912 99.659,913 39.149,914 44.313,915 14.96,916 5.807,917 113.916,918 189.402,919 114.619,922 114.515,923 106.06,924 49.676,925 59.325,926 94.169,928 105.94,929 213.575,930 59.273,931 44.956,933 120.9,934 44.313,937 29.876,938 133.723,939 55.783,940 39.149,941 120.9,942 143.972,943 158.872,945 5.807,946 105.94,947 29.059,948 84.857,949 33.191,950 164.89,951 105.94,952 158.932,953 158.872,955 0.603,956 0.343,957 0.174,958 0.1,959 24,960 11,961 0.091,962 4,963 1,964 1.095,965 3.909,966 248.883,967 0.095,968 21,969 128.606,973 1,974 18.689,975 7.058,976 3.833,977 1.443,978 142.146,979 12.977,980 8.237,981 2.922,984 1.146,986 66.088,987 423.744,988 44,991 -3.958,993 25.085,999 42.494,1000 46.19,1001 0.377,1002 0.697,1003 0.854,1004 0.945,1005 0.945,1006 0.945,1007 5.059,1008 1.527,1009 5.943,1010 4.773,1011 4.533,1012 5.212,1014 6.806,1015 4.41,1016 6.339,1017 1.385,1018 7.546,1019 4.434,1020 4.369,1021 5.338,1023 7.978,1024 4.139,1025 7.707,1026 1.378,1027 9.255,1028 3.881,1029 6.232,1030 7.597,1032 11.005,1033 5.988,1034 9.115,1035 1,1036 11.029,1037 3.673,1038 6.836,1039 8.496,1041 12.998,1042 6.475,1043 10.553,1044 0.441,1045 12.846,1046 2.275,1047 8.249,1048 10.293,1050 15.63,1051 7.867,1052 12.015,1053 0.195,1054 14.695,1055 1.133,1056 9.183,1057 11.532,1059 17.941,1060 8.689,1061 13.494,1062 -0.21,1063 16.568,1064 0.492,1065 10.439,1066 13.158,1068 20.471,1069 9.905,1070 3.4,1071 -0.371,1072 18.46,1073 -0.467,1074 11.517,1075 14.551,1077 22.906,1078 10.881,1079 3.057,1080 12.528,1081 20.367,1082 -1.065,1083 12.722,1084 16.11,1086 25.416,1087 12.026,1088 2.847,1089 9.78,1090 22.287,1091 4.71,1092 13.863,1093 17.574,1095 27.9,1096 13.072,1097 2.509,1098 9.063,1099 24.218,1100 4.449,1101 15.055,1102 19.11,1104 30.412,1105 14.192,1106 2.381,1107 8.06,1108 26.157,1109 3.937,1110 16.227,1111 20.608,1113 32.918,1114 15.271,1115 1.929,1116 6.302,1117 28.104,1118 3.402,1119 17.42,1120 22.137,1122 35.435,1123 16.382,1124 1.643,1125 5.352,1126 30.057,1127 3.302,1128 18.608,1129 23.651,1131 37.952,1132 17.478,1133 9384,1134 18313,1135 20.285,1136 30.188,1137 47.729,1138 49.205,1139 48.986,1140 47.509,1141 47.384,1142 66.693,1144 143.492,1145 44.352,1146 5.694,1147 6.686,1148 6.726,1149 5.378,1150 5.4,1151 7.71,1153 19.92,1154 5.1,1155 15.216,1156 1.54,1157 1.587,1158 1.58,1159 1.533,1160 1.529,1161 2.151,1163 4.629,1164 1.431,1165 4.136,1166 4.166,1167 4.738,1168 4.08,1169 8.201,1170 4.041,1171 4.058,1172 4.049,1173 4.092,1174 3.991,1175 7.717,1176 3.956,1177 3.832,1178 3.867,1179 3.937,1180 3.721,1181 6.999,1182 3.733,1183 3.605,1184 3.59,1185 3.719,1186 3.51,1187 5.253,1188 3.445,1189 3.372,1190 3.425,1191 3.456,1192 3.2,1193 5.034,1194 3.215,1195 2.944,1196 3.003,1197 3.126,1198 2.827,1199 4.739,1200 2.82,1201 2.854,1202 2.925,1203 2.784,1204 2.735,1205 4.584,1206 2.715,1207 2.837,1208 2.922,1209 2.728,1210 2.667,1211 4.349,1212 2.667,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.71,1229 12.528,1230 3.1,1231 1.993,1232 1.986,1233 2.047,1234 2.075,1235 1.195,1236 2.088,1237 1.937,1238 1.932,1239 1.963,1240 2.01,1241 1.142,1242 2.029,1243 1.725,1244 1.696,1245 1.786,1246 1.859,1247 0.891,1248 1.849,1249 1.421,1250 1.434,1251 1.54,1252 1.725,1253 0.539,1254 1.686,1255 1.379,1256 1.318,1257 1.194,1258 1.554,1259 0.402,1260 1.582,1261 0.963,1262 0.937,1263 1.181,1264 1.132,1265 0.218,1266 1.128,1267 0.886,1268 0.821,1269 1.122,1270 1.067,1271 0.186,1272 1.107,1273 0.835,1274 0.769,1275 1.045,1276 1.062,1277 0.098,1278 1.089,1279 4.143,1281 5.509,1282 2.398,1283 7.057,1284 4.727,1285 8.683,1286 6.804,1287 10.35,1290 6.069,1291 13.058,1293 5.661,1296 2.387,1305 29.569,1306 82.886,1307 153.13,1308 187.66,1309 207.66,1310 207.66,1311 207.66,1312 60.441,1313 7.622,1314 113.76,1315 122.14,1316 23,1317 12.659,1318 4.644,1319 3.807,1320 42.45,1321 109,1322 114,1323 0.189,1324 187.211,1325 312.89,1326 448.555,1327 21515,1328 4.9,1329 19.889,1330 0.71,1331 0.561,1332 19.768,1333 15.721,1334 13.315,1335 0.43,1336 0.319,1337 8.047,1338 11.755,1339 7.762,1340 6.395,1341 14.03,1342 9.874,1343 13.13,1344 0.285,1345 0.174,1346 14.179,1347 8.016,1348 10.57,1349 0.179,1350 0.097,1351 11.63,1352 5.725,1353 8.568,1354 0.113,1355 0.052,1356 9.707,1357 3.964,1358 7.087,1359 0.073,1360 0.029,1361 8.311,1362 2.824,1363 0.296,1364 95.08,1365 0.222,1366 26.656,1367 0.52,1368 154,1369 557.914,1370 223.93,1371 570.036,1372 755.19,1373 522,1374 182,1375 505.68,1376 254.891,1377 553.683,1378 807.81,1379 518,1380 6.924}
{0 CHEMBL1822209,1 2.001,2 10.741,3 3.753,4 14.081,5 102.643,6 10.33,7 0.733,8 3.82,9 3.897,10 3.799,11 3.478,12 5.045,13 3.461,14 4.308,15 4.403,16 4.13,17 3.855,18 5.816,19 3.837,20 4.527,21 4.664,22 4.187,23 3.963,24 5.889,25 3.908,26 4.558,27 4.712,28 4.128,29 3.889,30 5.903,31 3.816,32 4.465,33 4.634,34 4.098,35 3.738,36 5.916,37 3.711,38 4.283,39 4.424,40 4.034,41 3.701,42 5.916,43 3.667,44 4.294,45 4.441,46 3.924,47 3.693,48 5.646,49 3.618,50 4.202,51 4.362,52 3.798,53 3.524,54 5.573,55 3.472,56 0.163,57 0.673,58 5.105,59 3.408,60 21.841,61 2.819,62 0.439,63 1.048,64 7.739,65 5.392,66 52.536,67 4.933,68 0.542,69 1.27,70 14.84,71 7.907,72 61.503,73 7.211,74 0.668,75 1.206,76 26.199,77 8.809,78 83.681,79 7.568,80 0.755,81 1.042,82 19.103,83 7.343,84 110.182,85 6.937,86 0.618,87 0.977,88 11.716,89 5.732,90 90.222,91 5.567,92 0.507,93 0.905,94 18.868,95 6.516,96 53.977,97 5.93,98 0.512,99 0.812,100 17.621,101 5.797,102 66.433,103 5.39,104 17,105 44,106 0.346,107 0.625,108 0.781,109 0.87,110 0.87,111 0.87,112 3.34,113 0.966,114 -3.73,115 -3.69,116 -3.51,119 46.2,142 8,143 2,144 3,145 1,146 1,147 1,152 1,160 1,172 7,174 1,175 3,178 3,180 2,183 7,187 8,190 1,192 6,195 7,199 10,204 4,207 2,211 2,212 6,217 3,220 3,223 1,224 4,229 2,232 8,237 6,240 2,245 7,250 3,254 1,258 6,262 2,268 1,271 6,275 1111,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.03,282 7.599,283 10.262,284 18.46,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 10.446,291 3.678,292 4.875,293 15.769,294 3.284,295 1.672,296 0.769,297 0.256,298 0.256,299 0.256,300 4.033,302 1,304 1,305 1,306 637,307 3.317,310 66.353,311 249.684,314 112.695,318 1.676,319 41.619,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.833,331 290,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.1,341 4.47,342 3.187,343 6.321,344 4.001,345 3.025,346 4.391,348 9.673,349 2.955,350 4.236,351 2.966,352 6.108,353 3.749,354 2.808,355 3.925,357 8.909,358 2.649,359 3.855,360 2.873,361 5.858,362 3.422,363 2.476,364 3.398,366 8.003,367 2.322,368 3.797,369 2.589,370 5.14,371 3.315,372 2.377,373 3.264,375 6.301,376 2.195,377 3.083,378 1.988,379 4.734,380 2.59,381 1.644,382 2.302,384 4.775,385 1.542,386 3.034,387 1.643,388 4.459,389 2.499,390 1.535,391 2.296,393 4.372,394 1.478,395 2.97,396 1.534,397 4.292,398 2.445,399 1.49,400 2.189,402 3.999,403 1.41,404 2.828,405 1.488,406 4.144,407 2.297,408 1.383,409 1.952,411 3.685,412 1.215,413 2.541,414 1.063,415 3.437,416 2,417 1.048,418 1.562,420 2.377,421 1,422 2.5,423 1,424 3.414,425 1.977,426 1,427 1.5,428 2.275,429 0.968,430 1.916,431 0.699,432 3.216,433 1.376,434 0.437,435 0.639,436 1.059,437 0.404,438 1.486,439 0.574,440 3.045,441 1.055,442 0.194,443 0.241,445 0.486,446 0.15,447 1.12,448 0.38,449 2.717,450 0.672,451 -0.211,452 -0.262,454 -0.468,455 -0.177,456 1,457 -0.102,458 2.648,459 0.549,460 -0.393,461 -0.51,463 -1.132,464 -0.348,465 13.1,466 0.485,467 0.837,468 0.031,469 41.25,470 1.528,471 23.5,472 0.87,473 17.75,474 0.657,475 17.711,476 0.656,477 27.7,478 0.71,479 31.309,480 1.16,481 8.085,482 0.299,483 4.835,484 0.179,485 0.127,486 0.064,487 0.305,491 1,493 0.555,494 1.068,495 0.647,496 1.045,497 0.622,498 0.754,499 0.588,500 0.983,501 0.734,502 0.925,503 0.561,504 0.889,505 0.976,506 1.058,507 0.98,508 1.083,509 0.942,510 1.068,511 1.217,512 1.006,513 1.285,514 1.208,515 1.203,516 1.168,517 0.909,518 0.762,519 0.755,520 0.794,521 1.082,522 0.807,523 0.665,524 0.872,525 0.859,526 0.839,527 0.528,528 0.859,529 1.151,530 0.878,531 1.614,532 1.136,533 0.953,534 1.121,535 1.211,536 0.866,537 1.358,538 1.031,539 1.189,540 0.994,541 7,542 0.148,543 4.222,544 1.819,545 1.724,546 1.128,547 0.637,548 0.464,549 0.34,550 0.212,551 9029,552 33311,553 2.088,554 30.8,556 8,558 2,559 2,564 1.701,565 1.94,566 3.406,567 0.341,569 1,573 78.052,574 2.001,575 3.613,576 4.516,577 5.029,578 5.029,579 5.029,580 2.908,581 4.255,582 4.728,583 3.544,584 1244,585 8.209,586 15753,588 1,590 1,591 206.131,592 1.596,593 4.673,594 0.233,595 0.008,596 0.096,597 0.042,598 0.047,599 0.031,600 0.018,601 0.015,602 0.013,603 0.009,604 0.512,605 0.33,606 1,607 0.584,608 133.327,609 0.008,610 -0.097,611 0.111,612 -0.082,613 -0.128,614 0.039,615 0.15,616 -0.026,617 -0.029,618 -0.051,619 0.16,620 -0.094,621 -0.11,622 -0.082,623 -0.073,624 -0.084,625 -0.062,626 -0.124,627 -0.242,628 -0.111,629 -0.164,630 -0.131,631 -0.183,632 -0.16,633 0.07,634 0.001,635 0.227,636 0.153,637 -0.019,638 0.214,639 0.268,640 0.101,641 0.093,642 0.091,643 0.367,644 0.063,645 -0.22,646 -0.006,647 -0.302,648 -0.105,649 -0.123,650 -0.135,651 -0.18,652 -0.013,653 -0.126,654 -0.014,655 -0.163,656 0.028,657 4.852,658 5.519,659 0.778,660 22.746,661 1.036,662 1.12,663 2.497,664 6.234,665 0.748,666 3.434,667 3.807,668 4.06,669 4.29,670 4.522,671 4.605,672 4.673,673 4.779,674 4.86,675 4.942,676 6.307,677 0.732,678 402.86,679 3.434,680 5.004,681 5.861,682 6.753,683 7.627,684 8.52,685 9.399,686 10.293,687 11.174,688 12.068,689 10.3,694 1,697 1,699 2,703 2,704 10,705 2,706 1,709 6,711 22,730 2,731 39,733 24,734 2,735 30,737 42,738 18,739 18,740 5,741 7,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 12,782 6,783 2,784 9,785 2,787 1,790 4,794 0.75,795 2,805 1,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 27,852 1,855 1,869 2,870 5.1,873 2,877 13.917,878 7.019,879 5.708,880 2.089,881 4.082,882 1.544,883 1.055,884 4.501,885 11.592,886 3.784,887 4.491,888 5.071,889 5.662,890 6.209,891 6.545,892 6.944,893 7.353,894 7.666,895 8.089,896 1,897 43,898 10.249,900 4.822,901 8.143,902 18.335,904 15.378,905 2.643,906 71.361,910 117.711,911 126.443,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 120.636,918 201.173,919 81.722,922 81.617,923 126.45,924 47.777,925 59.325,926 94.169,928 117.711,929 187.397,930 59.273,931 44.956,933 132.671,934 44.313,937 36.596,938 100.826,939 55.783,940 39.149,941 132.671,942 111.075,943 165.592,945 5.807,946 117.711,947 27.16,948 93.476,949 33.191,950 131.993,951 117.711,952 126.035,953 165.592,955 0.6,956 0.345,957 0.173,958 0.096,959 23,960 10,961 0.095,962 4,963 1,964 1.095,965 3.854,966 236.521,967 0.095,968 21,969 122.382,973 1,974 17.774,975 6.837,976 3.613,977 1.661,978 109.249,979 14.816,980 8.272,981 3.006,984 1.001,986 33.191,987 409.337,988 43,991 -3.936,993 25.038,999 40.393,1000 43.692,1001 0.379,1002 0.684,1003 0.854,1004 0.951,1005 0.951,1006 0.951,1007 5.027,1008 1.49,1009 5.894,1010 4.372,1011 4.489,1012 5.179,1014 6.753,1015 4.369,1016 6.299,1017 1.383,1018 7.495,1019 3.999,1020 4.29,1021 5.27,1023 7.941,1024 4.067,1025 7.664,1026 1.048,1027 9.205,1028 3.685,1029 6.184,1030 7.56,1032 10.964,1033 5.948,1034 9.07,1035 1,1036 10.983,1037 2.377,1038 6.781,1039 8.45,1041 12.973,1042 6.428,1043 10.508,1044 0.437,1045 12.805,1046 2.275,1047 8.203,1048 10.256,1050 15.601,1051 7.831,1052 11.971,1053 0.194,1054 14.659,1055 1.059,1056 9.136,1057 11.49,1059 17.921,1060 8.651,1061 13.452,1062 -0.211,1063 16.537,1064 0.486,1065 10.395,1066 13.117,1068 20.45,1069 9.87,1070 3.4,1071 -0.393,1072 18.433,1073 -0.468,1074 11.473,1075 14.506,1077 22.889,1078 10.844,1079 3.025,1080 12.528,1081 20.344,1082 -1.132,1083 12.679,1084 16.065,1086 25.401,1087 11.99,1088 2.808,1089 9.673,1090 22.267,1091 4.709,1092 13.822,1093 17.526,1095 27.889,1096 13.035,1097 2.476,1098 8.909,1099 24.199,1100 4.391,1101 15.015,1102 19.061,1104 30.402,1105 14.155,1106 2.377,1107 8.003,1108 26.141,1109 3.925,1110 16.188,1111 20.556,1113 32.91,1114 15.233,1115 1.644,1116 6.301,1117 28.089,1118 3.398,1119 17.383,1120 22.084,1122 35.428,1123 16.344,1124 1.535,1125 4.775,1126 30.044,1127 3.264,1128 18.572,1129 23.596,1131 37.946,1132 17.439,1133 8511,1134 16527,1135 19.879,1136 29.182,1137 45.885,1138 47.35,1139 46.693,1140 45.739,1141 45.632,1142 64.736,1144 136.883,1145 42.776,1146 5.694,1147 6.686,1148 6.821,1149 5.378,1150 5.4,1151 7.709,1153 19.92,1154 5.1,1155 13.064,1156 1.529,1157 1.578,1158 1.556,1159 1.525,1160 1.521,1161 2.158,1163 4.563,1164 1.426,1165 4.132,1166 4.159,1167 4.738,1168 4.08,1169 8.201,1170 4.039,1171 4.055,1172 4.048,1173 4.084,1174 3.99,1175 7.717,1176 3.955,1177 3.828,1178 3.864,1179 3.932,1180 3.72,1181 6.999,1182 3.731,1183 3.602,1184 3.585,1185 3.719,1186 3.509,1187 5.103,1188 3.443,1189 3.326,1190 3.374,1191 3.433,1192 3.175,1193 5.007,1194 3.184,1195 2.931,1196 2.987,1197 3.078,1198 2.82,1199 4.584,1200 2.811,1201 2.854,1202 2.925,1203 2.784,1204 2.735,1205 4.426,1206 2.715,1207 2.812,1208 2.883,1209 2.723,1210 2.644,1211 4.162,1212 2.643,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.86,1219 0.157,1220 4.686,1222 7.311,1223 0.418,1224 4.319,1225 0.103,1226 3.4,1227 4.709,1229 12.528,1230 3.1,1231 1.993,1232 1.986,1233 2.047,1234 2.075,1235 1.195,1236 2.088,1237 1.937,1238 1.932,1239 1.963,1240 2.009,1241 1.142,1242 2.029,1243 1.725,1244 1.696,1245 1.786,1246 1.856,1247 0.891,1248 1.848,1249 1.406,1250 1.434,1251 1.519,1252 1.655,1253 0.541,1254 1.634,1255 1.349,1256 1.277,1257 1.188,1258 1.55,1259 0.434,1260 1.571,1261 0.96,1262 0.934,1263 1.181,1264 1.111,1265 0.218,1266 1.112,1267 0.886,1268 0.821,1269 1.11,1270 1.062,1271 0.186,1272 1.107,1273 0.805,1274 0.744,1275 0.969,1276 1,1277 0.114,1278 1.013,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.639,1286 6.581,1287 10.305,1290 6.065,1291 13.04,1296 2.398,1305 28.547,1306 78.052,1307 140.911,1308 176.131,1309 196.131,1310 196.131,1311 196.131,1312 56.037,1313 7.509,1314 87.74,1315 96.12,1316 23,1317 12.596,1318 4.644,1319 3.807,1320 40.202,1321 101,1322 107,1323 0.192,1324 180.417,1325 301.89,1326 431.977,1327 18792,1328 5.1,1329 19.018,1330 0.704,1331 0.564,1332 18.898,1333 15.221,1334 12.921,1335 0.431,1336 0.322,1337 7.839,1338 11.39,1339 7.555,1340 6.224,1341 13.637,1342 9.658,1343 12.484,1344 0.284,1345 0.177,1346 13.534,1347 7.797,1348 10.309,1349 0.181,1350 0.099,1351 11.37,1352 5.645,1353 8.215,1354 0.114,1355 0.054,1356 9.354,1357 3.87,1358 6.654,1359 0.073,1360 0.03,1361 7.878,1362 2.739,1363 0.3,1364 92.52,1365 0.224,1366 25.837,1367 0.531,1368 148,1369 540.602,1370 216.126,1371 551.49,1372 729.7,1373 506,1374 175,1375 483.201,1376 246.725,1377 531.284,1378 774.54,1379 497,1380 7.167}
{0 CHEMBL1822210,1 2.031,2 12.871,3 3.425,4 11.729,5 112.953,6 10.242,7 0.647,8 3.961,9 4.031,10 3.908,11 3.57,12 5.215,13 3.57,14 4.455,15 4.55,16 4.259,17 3.931,18 5.989,19 3.932,20 4.663,21 4.787,22 4.303,23 4.031,24 6.067,25 4.009,26 4.688,27 4.83,28 4.286,29 3.988,30 6.098,31 3.946,32 4.616,33 4.761,34 4.252,35 3.882,36 6.083,37 3.887,38 4.505,39 4.639,40 4.182,41 3.893,42 6.083,43 3.862,44 4.507,45 4.647,46 4.089,47 3.867,48 5.882,49 3.811,50 4.429,51 4.586,52 3.973,53 3.713,54 5.774,55 3.671,56 0.232,57 0.751,58 5.762,59 4.037,60 29.434,61 3.302,62 0.626,63 1.153,64 10.299,65 6.555,66 66.507,67 6.203,68 0.842,69 1.386,70 17.263,71 8.702,72 98.715,73 6.93,74 0.944,75 1.324,76 28.525,77 9.686,78 112.742,79 8.383,80 0.981,81 1.187,82 19.613,83 7.774,84 125.274,85 6.385,86 0.808,87 1.144,88 14.279,89 7.369,90 105.123,91 7.227,92 0.722,93 1.07,94 21.428,95 7.946,96 83.208,97 7.276,98 0.739,99 0.983,100 21.144,101 7.395,102 88.441,103 6.97,104 39,105 50,106 0.341,107 0.679,108 0.793,109 0.867,110 0.867,111 0.867,112 3.472,113 0.944,114 -3.41,115 -3.39,116 -3.24,119 44.4,120 1,142 8,143 2,144 3,145 1,146 1,147 1,152 1,158 1,162 1,172 7,174 2,175 5,178 5,180 2,183 7,187 10,190 1,192 4,195 7,198 2,199 13,204 5,207 2,211 2,212 7,217 4,220 3,223 1,224 7,229 2,232 10,236 1,237 8,240 1,242 1,245 9,250 4,253 2,258 7,262 2,263 2,267 1,271 7,275 1630,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 17.16,282 14.438,283 11.606,284 20.719,285 16.792,286 16.792,287 16.792,288 16.792,289 16.792,290 12.09,291 13.437,292 5.564,293 17.707,294 3.461,295 1.451,296 0.772,297 0.328,298 0.328,299 0.328,300 4.161,302 1,304 1,305 1,306 857,307 3.937,310 76.491,311 297.329,314 133.384,318 1.948,319 53.324,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 69.833,331 399,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 1.907,339 12.528,340 3.101,341 4.518,342 3.536,343 6.354,344 4.048,345 3.068,346 4.454,347 0.149,348 9.826,349 3.007,350 4.262,351 3.188,352 6.155,353 3.811,354 2.86,355 3.939,357 9.118,358 2.731,359 3.887,360 3.024,361 5.877,362 3.476,363 2.536,364 3.404,366 8.09,367 2.362,368 3.817,369 2.873,370 5.255,371 3.333,372 2.385,373 3.315,375 6.597,376 2.268,377 3.623,378 2.657,379 5.14,380 3.261,381 2.28,382 2.885,384 6.3,385 2.183,386 3.202,387 2.116,388 4.734,389 2.748,390 1.75,391 2.415,393 4.775,394 1.728,395 3.081,396 1.981,397 4.489,398 2.585,399 1.642,400 2.296,402 4.487,403 1.534,404 3.023,405 1.621,406 4.386,407 2.506,408 1.526,409 2.275,411 4.383,412 1.49,413 2.851,414 1.526,415 4.275,416 2.349,417 1.384,418 2,420 3.859,421 1.334,422 2.821,423 1.428,424 4.142,425 2.293,426 1.371,427 1.944,428 3.672,429 1.204,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 1.918,439 0.707,440 3.216,441 1.401,442 0.442,443 0.643,445 1.135,446 0.416,447 1.488,448 0.604,449 3.168,450 1.058,451 0.195,452 0.242,454 0.493,455 0.151,456 1.12,457 0.562,458 2.758,459 0.746,460 -0.203,461 -0.249,463 -0.463,464 -0.174,465 14.767,466 0.476,467 1.05,468 0.034,469 46,470 1.484,471 25.5,472 0.823,473 20.5,474 0.661,475 22.192,476 0.716,477 32.633,478 0.725,479 37.739,480 1.217,481 9.089,482 0.293,483 5.619,484 0.181,485 0.169,486 0.056,487 0.339,491 1,493 0.62,494 1.128,495 0.645,496 1.095,497 0.628,498 0.798,499 0.557,500 0.982,501 0.681,502 0.935,503 0.543,504 0.868,505 1.19,506 1.055,507 1.044,508 1.009,509 1.111,510 0.997,511 1.087,512 1.029,513 1.22,514 1.164,515 1.042,516 1.095,517 1.078,518 0.765,519 0.837,520 0.769,521 1.047,522 0.802,523 0.677,524 0.905,525 0.848,526 0.901,527 0.512,528 0.956,529 1.052,530 0.923,531 1.494,532 1.125,533 0.974,534 1.139,535 1.01,536 0.864,537 1.239,538 1.056,539 1.018,540 1.048,541 9,542 0.246,543 4.222,544 2.542,545 1.929,546 1.504,547 0.8,548 0.586,549 0.427,550 0.278,551 13121,552 51900,553 2.038,554 31.1,556 8,558 1,559 2,560 3,564 1.736,565 1.869,566 3.64,567 0.321,569 1,573 91.392,574 2.031,575 4.041,576 4.72,577 5.164,578 5.164,579 5.164,580 3.112,581 4.567,582 4.922,583 3.789,584 1761.94,585 8.597,586 25129.3,591 247.133,592 1.663,593 4.859,594 0.265,595 0.009,596 0.084,597 0.052,598 0.043,599 0.034,600 0.019,601 0.015,602 0.013,603 0.009,604 0.543,605 0.33,606 0.88,607 0.938,608 161.758,609 -0.019,610 -0.124,611 0.107,612 -0.097,613 -0.122,614 0.021,615 0.218,616 -0.009,617 0.057,618 -0.021,619 0.171,620 -0.027,621 -0.244,622 -0.044,623 -0.135,624 -0.009,625 -0.168,626 -0.084,627 -0.138,628 -0.106,629 -0.111,630 -0.096,631 -0.101,632 -0.101,633 -0.102,634 0.055,635 0.091,636 0.141,637 -0.09,638 0.138,639 0.18,640 0.043,641 0.065,642 0.037,643 0.279,644 0.001,645 -0.183,646 -0.048,647 -0.267,648 -0.107,649 -0.135,650 -0.143,651 -0.088,652 -0.013,653 -0.078,654 -0.058,655 -0.127,656 -0.009,657 4.921,658 5.601,659 0.677,660 32.416,661 1.043,662 1.123,663 2.177,664 4.741,665 0.73,666 3.555,667 3.932,668 4.159,669 4.419,670 4.663,671 4.779,672 4.883,673 4.997,674 5.118,675 5.226,676 7.324,677 0.722,678 460.9,679 3.555,680 5.13,681 5.979,682 6.876,683 7.746,684 8.645,685 9.524,686 10.423,687 11.306,688 12.206,689 8.9,694 1,696 1,699 2,703 2,704 9,705 2,707 1,709 7,711 22,730 2,731 45,733 25,734 2,735 34,737 48,738 20,739 18,740 5,741 7,746 4,747 5,748 1,752 1,761 19,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 14,782 9,783 2,784 11,785 2,790 4,794 0.75,795 4,799 1,805 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,845 1,846 1,848 31,852 1,855 2,869 2,870 8.9,873 3,875 1,877 16.583,878 8.519,879 6.542,880 2.427,881 4.191,882 1.53,883 1.021,884 5.67,885 12.093,886 3.892,887 4.588,888 5.135,889 5.752,890 6.318,891 6.687,892 7.122,893 7.545,894 7.905,895 8.34,896 0.889,897 49,898 11.753,900 5.484,901 8.248,902 20.796,904 17.128,905 2.748,906 85.194,909 1,910 141.253,911 138.638,912 67.987,913 39.149,914 78.965,915 14.96,916 5.807,917 132.83,918 259.367,919 82.947,920 8.825,921 18.011,922 81.617,923 135.91,924 45.09,925 62.017,926 129.482,928 141.253,929 200.817,930 93.925,931 44.956,933 156.213,934 78.965,937 42.619,938 108.222,939 55.783,940 39.149,941 156.213,942 146.952,943 177.786,945 5.807,946 141.253,947 39.148,948 93.683,949 34.416,950 166.645,951 141.253,952 161.912,953 177.786,955 0.599,956 0.331,957 0.17,958 0.098,959 25,960 12,961 0.104,962 5,963 1,964 1.095,965 4.157,966 282.324,967 0.095,968 21,969 147.58,973 1,974 21.253,975 8.27,976 4.693,977 0.955,978 161.912,979 12.492,980 8.201,982 5.511,984 0.615,986 34.416,987 480.952,988 48,991 -4.004,993 36.376,997 -0.313,999 46.931,1000 50.526,1001 0.37,1002 0.736,1003 0.859,1004 0.94,1005 0.94,1006 0.94,1007 5.145,1008 1.642,1009 6.019,1010 4.775,1011 4.615,1012 5.276,1013 1.953,1014 6.872,1015 4.515,1016 6.417,1017 1.526,1018 7.614,1019 4.487,1020 4.443,1021 5.394,1022 1.593,1023 8.021,1024 4.253,1025 7.779,1026 1.384,1027 9.316,1028 4.383,1029 6.301,1030 7.634,1031 2.904,1032 11.046,1033 6.092,1034 9.179,1035 1.371,1036 11.081,1037 3.859,1038 6.889,1039 8.524,1040 3.032,1041 13.022,1042 6.575,1043 10.61,1044 1,1045 12.891,1046 3.672,1047 8.3,1048 10.314,1049 4.037,1050 15.652,1051 7.964,1052 12.064,1053 0.442,1054 14.732,1055 2.275,1056 9.221,1057 11.547,1058 4.409,1059 17.955,1060 8.78,1061 13.537,1062 0.195,1063 16.599,1064 1.135,1065 10.476,1066 13.17,1067 5.25,1068 20.483,1069 9.995,1070 3.4,1071 -0.203,1072 18.486,1073 0.493,1074 11.546,1075 14.56,1076 5.75,1077 22.915,1078 10.967,1079 3.068,1080 12.528,1081 20.389,1082 -0.463,1083 12.749,1084 16.119,1085 6.501,1086 25.423,1087 12.113,1088 2.86,1089 9.826,1090 22.305,1091 4.71,1092 13.886,1093 17.581,1094 7.068,1095 27.906,1096 13.158,1097 2.536,1098 9.118,1099 24.232,1100 4.454,1101 15.077,1102 19.117,1103 7.771,1104 30.417,1105 14.278,1106 2.385,1107 8.09,1108 26.169,1109 3.939,1110 16.246,1111 20.614,1112 8.374,1113 32.922,1114 15.358,1115 2.28,1116 6.597,1117 28.114,1118 3.404,1119 17.438,1120 22.143,1121 9.051,1122 35.438,1123 16.47,1124 1.75,1125 6.3,1126 30.065,1127 3.315,1128 18.624,1129 23.657,1130 9.674,1131 37.954,1132 17.567,1133 12601,1134 25251,1135 22.076,1136 32.852,1137 52.171,1138 54.085,1139 53.479,1140 51.776,1141 51.682,1142 72.046,1143 4.112,1144 155.078,1145 49.022,1146 5.694,1147 6.686,1148 6.726,1149 5.377,1150 5.4,1151 7.71,1152 3.306,1153 19.92,1154 5.101,1155 18.251,1156 1.534,1157 1.591,1158 1.573,1159 1.523,1160 1.52,1161 2.119,1162 0.121,1163 4.561,1164 1.442,1165 4.127,1166 4.134,1167 4.738,1168 4.078,1169 8.201,1170 4.03,1171 4.05,1172 4.038,1173 4.086,1174 3.973,1175 7.717,1176 3.949,1177 3.828,1178 3.857,1179 3.933,1180 3.71,1181 7.43,1182 3.725,1183 3.612,1184 3.628,1185 3.719,1186 3.508,1187 6.999,1188 3.447,1189 3.554,1190 3.561,1191 3.527,1192 3.34,1193 5.217,1194 3.362,1195 3.256,1196 3.286,1197 3.354,1198 3.079,1199 5.026,1200 3.097,1201 2.93,1202 2.969,1203 3.058,1204 2.812,1205 4.584,1206 2.807,1207 2.854,1208 2.925,1209 2.77,1210 2.735,1211 4.46,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.056,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.71,1228 1.907,1229 12.528,1230 3.101,1231 1.988,1232 1.985,1233 2.036,1234 2.07,1235 1.185,1236 2.085,1237 1.933,1238 1.929,1239 1.963,1240 2.004,1241 1.136,1242 2.021,1243 1.714,1244 1.689,1245 1.771,1246 1.838,1247 0.873,1248 1.831,1249 1.516,1250 1.47,1251 1.732,1252 1.811,1253 0.731,1254 1.775,1255 1.394,1256 1.43,1257 1.327,1258 1.556,1259 0.526,1260 1.585,1261 1.166,1262 1.128,1263 1.185,1264 1.466,1265 0.278,1266 1.432,1267 0.932,1268 0.925,1269 1.181,1270 1.072,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.075,1276 1.062,1277 0.148,1278 1.064,1279 4.234,1281 5.595,1282 2.398,1283 7.132,1284 4.727,1285 8.748,1286 6.823,1287 10.408,1289 1.341,1290 6.082,1291 13.102,1296 4.836,1305 32.504,1306 91.392,1307 181.849,1308 212.379,1309 232.379,1310 232.379,1311 232.379,1312 74.834,1313 7.902,1314 114.19,1315 122.57,1316 23,1317 12.732,1318 4.7,1319 3.907,1320 49.519,1321 136,1322 138,1323 0.178,1324 204.666,1325 351.43,1326 491.146,1327 30778,1328 4.4,1329 22.173,1330 0.715,1331 0.563,1332 22.053,1333 17.46,1334 14.708,1335 0.433,1336 0.315,1337 8.838,1338 12.992,1339 8.505,1340 7.018,1341 15.424,1342 10.697,1343 14.52,1344 0.29,1345 0.171,1346 15.57,1347 8.545,1348 11.236,1349 0.178,1350 0.094,1351 12.297,1352 5.895,1353 9.25,1354 0.113,1355 0.05,1356 10.389,1357 4.067,1358 7.544,1359 0.072,1360 0.027,1361 8.768,1362 2.887,1363 0.281,1364 104.548,1365 0.213,1366 29.213,1367 0.48,1368 168,1369 660.073,1370 243.435,1371 656.22,1372 864.09,1373 602,1374 197,1375 579.744,1376 274.567,1377 622.361,1378 908.32,1379 582,1380 7.328}
{0 CHEMBL1822211,1 2.051,2 11.393,3 3.558,4 12.657,5 104.572,6 10.472,7 0.71,8 3.856,9 3.927,10 3.832,11 3.482,12 5.117,13 3.48,14 4.336,15 4.419,16 4.181,17 3.853,18 5.893,19 3.851,20 4.546,21 4.669,22 4.227,23 3.959,24 5.94,25 3.925,26 4.578,27 4.719,28 4.17,29 3.903,30 5.946,31 3.845,32 4.492,33 4.642,34 4.146,35 3.764,36 5.978,37 3.754,38 4.381,39 4.529,40 4.066,41 3.741,42 5.973,43 3.707,44 4.328,45 4.474,46 3.973,47 3.705,48 5.703,49 3.646,50 4.223,51 4.352,52 3.876,53 3.543,54 5.664,55 3.517,56 0.212,57 0.687,58 5.001,59 3.533,60 30.465,61 2.714,62 0.54,63 1.046,64 7.742,65 5.687,66 61.865,67 5.133,68 0.697,69 1.268,70 14.521,71 7.923,72 74.143,73 6.529,74 0.775,75 1.209,76 25.465,77 8.881,78 96.793,79 7.358,80 0.837,81 1.062,82 17.147,83 7.167,84 117.006,85 6.216,86 0.771,87 1.015,88 14.026,89 6.595,90 103.66,91 6.489,92 0.611,93 0.913,94 19.767,95 6.738,96 67.381,97 6.134,98 0.61,99 0.825,100 16.038,101 5.793,102 73.916,103 4.762,104 26,105 46,106 0.353,107 0.644,108 0.779,109 0.865,110 0.865,111 0.865,112 3.375,113 0.947,114 -3.37,115 -3.36,116 -3.21,119 45,142 8,143 2,144 3,145 1,146 1,147 1,152 1,162 1,163 1,164 1,165 1,172 7,174 2,175 4,177 2,178 4,180 1,183 7,187 10,190 1,192 4,195 7,199 11,204 5,207 2,209 2,211 2,212 7,217 4,220 3,222 2,223 1,224 5,229 2,232 8,234 1,236 1,237 6,240 1,242 1,245 7,247 1,250 3,252 1,253 2,258 6,262 2,263 1,267 1,270 1,271 6,275 1216,276 18.367,277 18.367,278 18.367,279 18.367,280 18.367,281 15.453,282 10.761,283 10.449,284 18.864,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.867,291 6.178,292 4.993,293 16.216,294 3.271,295 1.582,296 0.8,297 0.3,298 0.3,299 0.3,300 4.065,302 1,304 1,305 1,306 696,307 3.391,310 68.547,311 260.92,314 117.318,318 1.707,319 46.98,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.101,341 4.511,342 3.189,343 6.346,344 4.039,345 3.057,346 4.449,348 9.78,349 3.001,350 4.257,351 3.028,352 6.144,353 3.797,354 2.847,355 3.937,357 9.063,358 2.717,359 3.873,360 2.873,361 5.871,362 3.45,363 2.509,364 3.402,366 8.06,367 2.337,368 3.811,369 2.653,370 5.14,371 3.321,372 2.381,373 3.302,375 6.302,376 2.208,377 3.319,378 2.054,379 4.816,380 2.883,381 1.929,382 2.627,384 5.352,385 1.832,386 3.081,387 1.974,388 4.734,389 2.586,390 1.643,391 2.296,393 4.773,394 1.535,395 3.024,396 1.618,397 4.48,398 2.507,399 1.527,400 2.28,402 4.434,403 1.492,404 2.855,405 1.525,406 4.291,407 2.353,408 1.385,409 2.013,411 3.881,412 1.337,413 2.822,414 1.418,415 4.142,416 2.293,417 1.378,418 1.945,420 3.673,421 1.204,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.918,431 0.704,432 3.216,433 1.401,434 0.441,435 0.643,436 1.133,437 0.416,438 1.487,439 0.579,440 3.168,441 1.058,442 0.195,443 0.242,445 0.492,446 0.151,447 1.12,448 0.381,449 2.748,450 0.675,451 -0.21,452 -0.261,454 -0.467,455 -0.176,456 1,457 -0.1,458 2.653,459 0.585,460 -0.371,461 -0.48,463 -1.065,464 -0.337,465 13.433,466 0.48,467 0.943,468 0.034,469 42.5,470 1.518,471 24,472 0.857,473 18.5,474 0.661,475 18.74,476 0.669,477 29.167,478 0.729,479 33.327,480 1.19,481 8.347,482 0.298,483 4.968,484 0.177,485 0.154,486 0.062,487 0.335,491 1,493 0.644,494 1.038,495 0.654,496 1.041,497 0.703,498 0.735,499 0.573,500 0.951,501 0.697,502 0.933,503 0.538,504 0.87,505 1.096,506 1.047,507 1.014,508 1.042,509 0.99,510 1.021,511 1.186,512 1.034,513 1.295,514 1.229,515 1.192,516 1.191,517 0.956,518 0.81,519 0.81,520 0.847,521 1.12,522 0.883,523 0.696,524 0.849,525 0.846,526 0.828,527 0.525,528 0.881,529 1.071,530 0.885,531 1.563,532 1.09,533 0.934,534 1.055,535 1.176,536 0.921,537 1.396,538 1.146,539 1.235,540 1.108,541 8,542 0.184,543 4.222,544 2.292,545 1.804,546 1.233,547 0.718,548 0.504,549 0.377,550 0.248,551 9894,552 38486,553 2.064,554 30,556 8,558 1,559 3,564 1.711,565 1.898,566 3.477,567 1.023,569 1,573 82.044,574 2.051,575 3.74,576 4.522,577 5.022,578 5.022,579 5.022,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17737.4,588 1,590 1,591 212.877,592 1.656,593 4.716,594 0.258,595 0.009,596 0.092,597 0.051,598 0.046,599 0.032,600 0.019,601 0.015,602 0.013,603 0.01,604 0.546,605 0.33,606 1,607 0.616,608 140.21,609 -0.035,610 -0.053,611 0.099,612 -0.059,613 -0.171,614 0.062,615 0.209,616 0.004,617 0.014,618 -0.036,619 0.195,620 -0.065,621 -0.188,622 -0.056,623 -0.108,624 -0.036,625 -0.104,626 -0.095,627 -0.248,628 -0.133,629 -0.181,630 -0.152,631 -0.184,632 -0.184,633 -0.01,634 -0.028,635 0.141,636 0.076,637 -0.073,638 0.099,639 0.219,640 0.076,641 0.126,642 0.125,643 0.328,644 0.114,645 -0.181,646 -0.013,647 -0.246,648 -0.05,649 -0.104,650 -0.041,651 -0.16,652 -0.046,653 -0.209,654 -0.152,655 -0.209,656 -0.146,657 4.886,658 5.533,659 0.75,660 24.531,661 1.043,662 1.123,663 2.144,664 4.595,665 0.741,666 3.466,667 3.85,668 4.094,669 4.344,670 4.585,671 4.654,672 4.745,673 4.868,674 4.942,675 5.03,676 6.528,677 0.732,678 418.86,679 3.466,680 5.043,681 5.9,682 6.799,683 7.674,684 8.572,685 9.453,686 10.351,687 11.235,688 12.133,689 10,693 1,694 1,699 2,703 2,704 9,705 2,707 1,709 7,711 22,722 1,730 2,731 40,733 24,734 2,735 31,737 43,738 18,739 18,740 5,741 7,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 12,782 8,783 3,784 10,785 2,790 4,794 0.75,795 3,799 1,805 1,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 28,849 1,852 1,855 1,869 2,870 7.5,873 2,875 1,877 14.75,878 7.186,879 5.875,880 2.094,881 4.092,882 1.537,883 1.047,884 4.711,885 11.714,886 3.807,887 4.525,888 5.099,889 5.708,890 6.269,891 6.594,892 7.014,893 7.443,894 7.756,895 8.173,896 0.875,897 45,898 10.616,900 5.009,901 8.215,902 18.804,904 15.695,905 2.715,906 76.028,909 1,910 105.94,911 125.108,912 82.873,913 39.149,914 53.82,915 14.96,916 5.807,917 119.3,918 198.909,919 97.833,922 114.515,923 106.06,924 45.09,925 62.017,926 94.169,928 105.94,929 202.174,930 68.78,931 44.956,933 120.9,934 53.82,937 15.783,938 136.415,939 55.783,940 39.149,941 120.9,942 136.694,943 164.256,945 5.807,946 105.94,947 34.443,948 84.857,949 16.405,950 174.397,951 105.94,952 151.654,953 164.256,955 0.603,956 0.343,957 0.174,958 0.1,959 24,960 11,961 0.093,962 4,963 1,964 1.095,965 3.909,966 248.883,967 0.095,968 21,969 128.606,973 1,974 18.689,975 7.058,976 3.833,977 1.082,978 151.654,979 12.676,980 8.064,982 5.31,984 0.764,986 49.302,987 421.85,988 44,991 -3.969,993 25.067,999 41.72,1000 44.901,1001 0.385,1002 0.703,1003 0.85,1004 0.944,1005 0.944,1006 0.944,1007 5.059,1008 1.527,1009 5.943,1010 4.773,1011 4.533,1012 5.212,1014 6.806,1015 4.423,1016 6.339,1017 1.385,1018 7.546,1019 4.434,1020 4.369,1021 5.338,1023 7.978,1024 4.156,1025 7.707,1026 1.378,1027 9.255,1028 3.881,1029 6.232,1030 7.597,1032 11.005,1033 6.014,1034 9.115,1035 1,1036 11.029,1037 3.673,1038 6.836,1039 8.496,1041 12.998,1042 6.504,1043 10.553,1044 0.441,1045 12.846,1046 2.275,1047 8.249,1048 10.293,1050 15.63,1051 7.903,1052 12.015,1053 0.195,1054 14.695,1055 1.133,1056 9.183,1057 11.532,1059 17.941,1060 8.729,1061 13.494,1062 -0.21,1063 16.568,1064 0.492,1065 10.439,1066 13.158,1068 20.471,1069 9.949,1070 3.4,1071 -0.371,1072 18.46,1073 -0.467,1074 11.517,1075 14.551,1077 22.906,1078 10.929,1079 3.057,1080 12.528,1081 20.367,1082 -1.065,1083 12.722,1084 16.11,1086 25.416,1087 12.078,1088 2.847,1089 9.78,1090 22.287,1091 4.71,1092 13.863,1093 17.574,1095 27.9,1096 13.127,1097 2.509,1098 9.063,1099 24.218,1100 4.449,1101 15.055,1102 19.11,1104 30.412,1105 14.25,1106 2.381,1107 8.06,1108 26.157,1109 3.937,1110 16.227,1111 20.608,1113 32.918,1114 15.332,1115 1.929,1116 6.302,1117 28.104,1118 3.402,1119 17.42,1120 22.137,1122 35.435,1123 16.446,1124 1.643,1125 5.352,1126 30.057,1127 3.302,1128 18.608,1129 23.651,1131 37.952,1132 17.544,1133 9384,1134 18687,1135 20.285,1136 29.636,1137 47.729,1138 49.205,1139 48.986,1140 47.524,1141 47.384,1142 66.693,1144 143.492,1145 44.664,1146 5.694,1147 6.686,1148 6.726,1149 5.376,1150 5.4,1151 7.71,1153 19.92,1154 5.101,1155 15.216,1156 1.54,1157 1.587,1158 1.58,1159 1.533,1160 1.529,1161 2.151,1163 4.629,1164 1.441,1165 4.124,1166 4.131,1167 4.738,1168 4.078,1169 8.201,1170 4.028,1171 4.049,1172 4.037,1173 4.082,1174 3.971,1175 7.717,1176 3.948,1177 3.824,1178 3.853,1179 3.93,1180 3.708,1181 6.999,1182 3.722,1183 3.601,1184 3.582,1185 3.719,1186 3.506,1187 5.359,1188 3.441,1189 3.351,1190 3.395,1191 3.443,1192 3.155,1193 5.035,1194 3.181,1195 2.935,1196 2.976,1197 3.124,1198 2.821,1199 4.76,1200 2.816,1201 2.854,1202 2.925,1203 2.77,1204 2.735,1205 4.584,1206 2.715,1207 2.836,1208 2.918,1209 2.723,1210 2.649,1211 4.379,1212 2.651,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.71,1229 12.528,1230 3.101,1231 1.988,1232 1.985,1233 2.036,1234 2.07,1235 1.185,1236 2.085,1237 1.933,1238 1.929,1239 1.963,1240 2.004,1241 1.136,1242 2.021,1243 1.714,1244 1.689,1245 1.77,1246 1.838,1247 0.873,1248 1.83,1249 1.395,1250 1.431,1251 1.438,1252 1.666,1253 0.526,1254 1.603,1255 1.297,1256 1.255,1257 1.189,1258 1.555,1259 0.248,1260 1.582,1261 0.933,1262 0.925,1263 1.181,1264 1.084,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.114,1270 1.062,1271 0.148,1272 1.091,1273 0.828,1274 0.756,1275 0.97,1276 1.056,1277 0.011,1278 1.055,1279 4.143,1281 5.509,1282 2.398,1283 7.057,1284 4.727,1285 8.683,1286 6.804,1287 10.35,1290 6.058,1291 13.053,1293 5.55,1296 2.373,1305 29.262,1306 82.044,1307 149.593,1308 180.877,1309 200.877,1310 200.877,1311 200.877,1312 60.839,1313 7.622,1314 111.11,1315 119.49,1316 23,1317 12.659,1318 4.644,1319 3.807,1320 42.45,1321 109,1322 114,1323 0.189,1324 184.413,1325 310.68,1326 441.728,1327 21515,1328 5,1329 19.889,1330 0.71,1331 0.558,1332 19.768,1333 15.629,1334 13.315,1335 0.43,1336 0.316,1337 7.944,1338 11.698,1339 7.67,1340 6.308,1341 14.03,1342 9.782,1343 13.13,1344 0.285,1345 0.172,1346 14.179,1347 7.897,1348 10.57,1349 0.179,1350 0.095,1351 11.63,1352 5.628,1353 8.568,1354 0.113,1355 0.051,1356 9.707,1357 3.881,1358 7.087,1359 0.073,1360 0.029,1361 8.311,1362 2.767,1363 0.296,1364 95.488,1365 0.222,1366 26.656,1367 0.52,1368 154,1369 587.317,1370 226.194,1371 591.116,1372 782.59,1373 542,1374 182,1375 526.699,1376 256.907,1377 570.662,1378 834.76,1379 534,1380 8.143}
{0 CHEMBL1822212,1 2.021,2 10.741,3 3.763,4 14.157,5 100.398,6 10.627,7 0.733,8 3.804,9 3.862,10 3.804,11 3.46,12 5.052,13 3.452,14 4.292,15 4.369,16 4.136,17 3.828,18 5.828,19 3.822,20 4.49,21 4.609,22 4.188,23 3.934,24 5.881,25 3.89,26 4.533,27 4.674,28 4.131,29 3.861,30 5.901,31 3.8,32 4.439,33 4.591,34 4.102,35 3.712,36 5.915,37 3.698,38 4.279,39 4.404,40 4.04,41 3.681,42 5.926,43 3.657,44 4.273,45 4.41,46 3.928,47 3.666,48 5.651,49 3.602,50 4.152,51 4.283,52 3.815,53 3.48,54 5.567,55 3.449,56 0.187,57 0.621,58 4.262,59 3.403,60 24.422,61 2.654,62 0.513,63 0.967,64 6.798,65 5.311,66 57.177,67 4.454,68 0.61,69 1.191,70 12.912,71 7.64,72 67.411,73 6.553,74 0.752,75 1.158,76 24.784,77 8.638,78 91.986,79 6.977,80 0.812,81 0.996,82 17.302,83 7.153,84 112.961,85 6.345,86 0.708,87 0.933,88 11.216,89 5.811,90 94.58,91 5.316,92 0.577,93 0.865,94 18.149,95 6.379,96 61.081,97 5.552,98 0.584,99 0.747,100 16.374,101 5.689,102 69.824,103 4.753,104 17,105 44,106 0.351,107 0.623,108 0.775,109 0.866,110 0.866,111 0.866,112 3.34,113 0.956,114 -3.73,115 -3.69,116 -3.51,119 47.4,142 8,143 2,144 3,145 1,146 1,147 1,152 1,160 1,172 7,174 2,175 4,178 2,180 1,183 7,187 10,190 1,192 4,195 7,199 11,204 3,207 2,211 2,212 7,217 2,220 3,223 1,224 5,229 1,232 8,236 1,237 6,240 1,245 7,250 3,253 1,258 6,262 2,263 1,271 6,275 1111,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.03,282 7.599,283 10.262,284 18.394,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 10.446,291 3.678,292 4.875,293 15.667,294 3.227,295 1.664,296 0.789,297 0.263,298 0.263,299 0.263,300 4.033,302 1,304 1,305 1,306 637,307 3.317,310 66.353,311 249.684,314 112.695,318 1.676,319 43.758,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60.333,331 290,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.101,341 4.47,342 3.187,343 6.321,344 4.009,345 3.025,346 4.391,348 9.673,349 2.978,350 4.236,351 2.966,352 6.108,353 3.757,354 2.808,355 3.925,357 8.909,358 2.677,359 3.855,360 2.873,361 5.858,362 3.425,363 2.476,364 3.398,366 8.003,367 2.325,368 3.797,369 2.589,370 5.14,371 3.315,372 2.377,373 3.264,375 6.301,376 2.197,377 3.083,378 1.988,379 4.734,380 2.59,381 1.644,382 2.302,384 4.775,385 1.544,386 3.034,387 1.643,388 4.459,389 2.525,390 1.535,391 2.296,393 4.372,394 1.516,395 2.97,396 1.534,397 4.292,398 2.448,399 1.49,400 2.189,402 3.999,403 1.414,404 2.828,405 1.488,406 4.144,407 2.297,408 1.383,409 1.952,411 3.685,412 1.216,413 2.541,414 1.063,415 3.437,416 2.009,417 1.048,418 1.562,420 2.377,421 1,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.916,431 0.699,432 3.216,433 1.4,434 0.437,435 0.639,436 1.059,437 0.414,438 1.486,439 0.574,440 3.045,441 1.056,442 0.194,443 0.241,445 0.486,446 0.15,447 1.12,448 0.38,449 2.717,450 0.672,451 -0.211,452 -0.262,454 -0.468,455 -0.177,456 1,457 -0.102,458 2.648,459 0.552,460 -0.393,461 -0.51,463 -1.132,464 -0.348,465 13.033,466 0.483,467 0.837,468 0.031,469 41.25,470 1.528,471 23.5,472 0.87,473 17.75,474 0.657,475 17.613,476 0.652,477 27.767,478 0.731,479 31.407,480 1.163,481 8.119,482 0.301,483 4.802,484 0.178,485 0.128,486 0.064,487 0.307,491 1,493 0.583,494 1.053,495 0.637,496 1.086,497 0.629,498 0.772,499 0.659,500 0.959,501 0.74,502 0.91,503 0.58,504 0.867,505 0.979,506 1.067,507 1,508 1.093,509 0.965,510 1.077,511 1.202,512 1.002,513 1.321,514 1.21,515 1.225,516 1.184,517 0.932,518 0.757,519 0.783,520 0.809,521 1.103,522 0.829,523 0.732,524 0.862,525 0.876,526 0.821,527 0.54,528 0.855,529 1.095,530 0.869,531 1.643,532 1.118,533 0.967,534 1.113,535 1.197,536 0.881,537 1.405,538 1.1,539 1.237,540 1.032,541 7,542 0.148,543 4.222,544 1.819,545 1.724,546 1.128,547 0.637,548 0.464,549 0.34,550 0.212,551 9029,552 34857,553 2.088,554 28.9,556 8,558 2,559 1,564 1.701,565 1.94,566 3.406,567 -0.236,569 1,573 76.799,574 2.021,575 3.584,576 4.458,577 4.985,578 4.985,579 4.985,580 2.908,581 4.255,582 4.728,583 3.544,584 1244,585 8.209,586 15753,588 1,590 1,591 199.421,592 1.596,593 4.673,594 0.233,595 0.008,596 0.096,597 0.042,598 0.047,599 0.031,600 0.018,601 0.015,602 0.013,603 0.009,604 0.512,605 0.33,606 1,607 0.584,608 133.327,609 0.011,610 -0.119,611 0.113,612 -0.125,613 -0.124,614 0.011,615 0.121,616 -0.026,617 -0.036,618 -0.035,619 0.151,620 -0.085,621 -0.123,622 -0.088,623 -0.088,624 -0.093,625 -0.073,626 -0.137,627 -0.255,628 -0.1,629 -0.186,630 -0.131,631 -0.202,632 -0.165,633 0.025,634 0.011,635 0.206,636 0.137,637 -0.04,638 0.198,639 0.219,640 0.095,641 0.089,642 0.118,643 0.352,644 0.084,645 -0.198,646 0.008,647 -0.311,648 -0.086,649 -0.13,650 -0.111,651 -0.158,652 -0.026,653 -0.155,654 -0.078,655 -0.188,656 -0.02,657 4.864,658 5.51,659 0.778,660 22.746,661 1.043,662 1.116,663 2.497,664 6.234,665 0.753,666 3.434,667 3.807,668 4.06,669 4.29,670 4.522,671 4.605,672 4.673,673 4.779,674 4.86,675 4.942,676 6.307,677 0.743,678 403.84,679 3.434,680 5.004,681 5.861,682 6.753,683 7.627,684 8.52,685 9.399,686 10.293,687 11.174,688 12.068,689 7.9,694 1,699 2,703 2,704 10,705 2,707 1,709 6,711 22,730 2,731 38,733 24,734 2,735 30,737 41,738 18,739 18,740 5,741 7,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 11,782 7,783 1,784 9,785 2,790 3,794 0.75,795 3,799 1,805 1,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 27,852 1,855 1,869 2,870 7.9,873 2,875 1,877 13.917,878 6.936,879 5.708,880 2.041,881 4.082,882 1.544,883 1.043,884 4.501,885 11.592,886 3.784,887 4.491,888 5.071,889 5.662,890 6.209,891 6.545,892 6.944,893 7.353,894 7.666,895 8.089,896 1,897 43,898 10.248,900 4.827,901 8.18,902 18.237,904 15.233,905 2.68,906 72.361,910 117.711,911 131.827,912 49.976,913 39.149,914 53.82,915 14.96,916 5.807,917 126.02,918 210.68,919 64.936,922 81.617,923 129.142,924 40.499,925 62.017,926 94.169,928 117.711,929 175.996,930 68.78,931 44.956,933 132.671,934 53.82,937 22.502,938 103.518,939 55.783,940 39.149,941 132.671,942 103.796,943 170.976,945 5.807,946 117.711,947 29.852,948 96.168,949 16.405,950 141.5,951 117.711,952 118.756,953 170.976,955 0.6,956 0.345,957 0.173,958 0.096,959 23,960 10,961 0.098,962 4,963 1,964 1.095,965 3.854,966 236.521,967 0.095,968 21,969 122.382,973 1,974 17.774,975 6.837,976 3.613,977 1.3,978 118.756,979 14.265,980 8.099,982 5.282,984 0.869,986 16.405,987 407.443,988 43,991 -3.947,993 25.02,999 39.618,1000 42.403,1001 0.385,1002 0.683,1003 0.85,1004 0.95,1005 0.95,1006 0.95,1007 5.027,1008 1.49,1009 5.894,1010 4.372,1011 4.489,1012 5.179,1014 6.753,1015 4.382,1016 6.299,1017 1.383,1018 7.495,1019 3.999,1020 4.29,1021 5.27,1023 7.941,1024 4.077,1025 7.664,1026 1.048,1027 9.205,1028 3.685,1029 6.184,1030 7.56,1032 10.964,1033 5.968,1034 9.07,1035 1,1036 10.983,1037 2.377,1038 6.781,1039 8.45,1041 12.973,1042 6.448,1043 10.508,1044 0.437,1045 12.805,1046 2.275,1047 8.203,1048 10.256,1050 15.601,1051 7.858,1052 11.971,1053 0.194,1054 14.659,1055 1.059,1056 9.136,1057 11.49,1059 17.921,1060 8.68,1061 13.452,1062 -0.211,1063 16.537,1064 0.486,1065 10.395,1066 13.117,1068 20.45,1069 9.903,1070 3.4,1071 -0.393,1072 18.433,1073 -0.468,1074 11.473,1075 14.506,1077 22.889,1078 10.879,1079 3.025,1080 12.528,1081 20.344,1082 -1.132,1083 12.679,1084 16.065,1086 25.401,1087 12.029,1088 2.808,1089 9.673,1090 22.267,1091 4.709,1092 13.822,1093 17.526,1095 27.889,1096 13.075,1097 2.476,1098 8.909,1099 24.199,1100 4.391,1101 15.015,1102 19.061,1104 30.402,1105 14.197,1106 2.377,1107 8.003,1108 26.141,1109 3.925,1110 16.188,1111 20.556,1113 32.91,1114 15.277,1115 1.644,1116 6.301,1117 28.089,1118 3.398,1119 17.383,1120 22.084,1122 35.428,1123 16.39,1124 1.535,1125 4.775,1126 30.044,1127 3.264,1128 18.572,1129 23.596,1131 37.946,1132 17.487,1133 8511,1134 16895,1135 19.879,1136 28.631,1137 45.885,1138 47.35,1139 46.693,1140 45.774,1141 45.632,1142 64.736,1144 136.883,1145 43.064,1146 5.694,1147 6.686,1148 6.821,1149 5.376,1150 5.4,1151 7.709,1153 19.92,1154 5.101,1155 13.064,1156 1.529,1157 1.578,1158 1.556,1159 1.526,1160 1.521,1161 2.158,1163 4.563,1164 1.435,1165 4.121,1166 4.126,1167 4.737,1168 4.077,1169 8.201,1170 4.027,1171 4.046,1172 4.034,1173 4.074,1174 3.97,1175 7.717,1176 3.947,1177 3.821,1178 3.849,1179 3.925,1180 3.707,1181 6.999,1182 3.72,1183 3.599,1184 3.578,1185 3.719,1186 3.506,1187 5.239,1188 3.44,1189 3.296,1190 3.321,1191 3.419,1192 3.125,1193 5.028,1194 3.145,1195 2.929,1196 2.968,1197 3.072,1198 2.812,1199 4.584,1200 2.807,1201 2.854,1202 2.925,1203 2.77,1204 2.735,1205 4.456,1206 2.715,1207 2.803,1208 2.876,1209 2.712,1210 2.62,1211 4.196,1212 2.624,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.86,1219 0.157,1220 4.686,1222 7.311,1223 0.418,1224 4.319,1225 0.103,1226 3.4,1227 4.709,1229 12.528,1230 3.101,1231 1.988,1232 1.985,1233 2.036,1234 2.07,1235 1.185,1236 2.085,1237 1.933,1238 1.929,1239 1.963,1240 2.004,1241 1.136,1242 2.021,1243 1.714,1244 1.689,1245 1.77,1246 1.838,1247 0.873,1248 1.83,1249 1.395,1250 1.431,1251 1.375,1252 1.562,1253 0.526,1254 1.585,1255 1.23,1256 1.202,1257 1.185,1258 1.551,1259 0.272,1260 1.495,1261 0.932,1262 0.925,1263 1.181,1264 1.07,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.054,1270 1.062,1271 0.148,1272 1.06,1273 0.776,1274 0.713,1275 0.966,1276 0.988,1277 0.056,1278 1.002,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.639,1286 6.581,1287 10.305,1290 6.053,1291 13.036,1296 2.384,1305 28.241,1306 76.799,1307 136.202,1308 169.421,1309 189.421,1310 189.421,1311 189.421,1312 56.696,1313 7.509,1314 85.09,1315 93.47,1316 23,1317 12.596,1318 4.644,1319 3.807,1320 40.202,1321 101,1322 107,1323 0.192,1324 177.619,1325 299.68,1326 425.15,1327 18792,1328 5.3,1329 19.018,1330 0.704,1331 0.56,1332 18.898,1333 15.129,1334 12.921,1335 0.431,1336 0.319,1337 7.728,1338 11.331,1339 7.453,1340 6.131,1341 13.637,1342 9.56,1343 12.484,1344 0.284,1345 0.175,1346 13.534,1347 7.697,1348 10.309,1349 0.181,1350 0.097,1351 11.37,1352 5.555,1353 8.215,1354 0.114,1355 0.053,1356 9.354,1357 3.794,1358 6.654,1359 0.073,1360 0.03,1361 7.878,1362 2.692,1363 0.3,1364 92.974,1365 0.224,1366 25.837,1367 0.531,1368 148,1369 570.005,1370 218.004,1371 572.815,1372 756.18,1373 526,1374 175,1375 501.593,1376 248.575,1377 547.223,1378 798.15,1379 511,1380 7.585}
{0 CHEMBL1822213,1 2.06,2 10.741,3 3.016,4 9.097,5 102.417,6 10.628,7 0.733,8 3.808,9 3.885,10 3.808,11 3.439,12 5.061,13 3.434,14 4.291,15 4.39,16 4.136,17 3.815,18 5.814,19 3.809,20 4.5,21 4.633,22 4.19,23 3.931,24 5.886,25 3.886,26 4.544,27 4.701,28 4.131,29 3.851,30 5.904,31 3.79,32 4.428,33 4.589,34 4.1,35 3.706,36 5.906,37 3.691,38 4.283,39 4.422,40 4.04,41 3.689,42 5.92,43 3.657,44 4.306,45 4.47,46 3.941,47 3.638,48 5.669,49 3.586,50 4.121,51 4.256,52 3.794,53 3.485,54 5.559,55 3.436,56 0.187,57 0.697,58 4.308,59 3.283,60 23.755,61 2.59,62 0.484,63 1.07,64 6.798,65 5.081,66 53.391,67 4.306,68 0.596,69 1.26,70 13.004,71 7.523,72 64.873,73 6.51,74 0.751,75 1.191,76 25.558,77 8.464,78 92.462,79 6.895,80 0.793,81 1.014,82 16.803,83 6.734,84 109.223,85 5.89,86 0.642,87 0.975,88 10.748,89 5.763,90 89.969,91 5.593,92 0.619,93 0.913,94 20.54,95 6.233,96 64.548,97 5.407,98 0.534,99 0.767,100 13.779,101 5.189,102 58.236,103 4.487,104 17,105 44,106 0.358,107 0.643,108 0.795,109 0.866,110 0.866,111 0.866,112 3.34,113 0.952,114 -4.36,115 -4.3,116 -4.05,119 44.7,142 7,143 2,144 3,145 1,147 1,151 1,160 1,161 1,166 1,172 6,174 3,175 5,178 2,180 1,183 5,187 10,190 1,192 4,195 5,199 11,204 3,207 2,211 3,212 7,217 1,220 3,224 6,227 1,229 1,232 7,236 2,237 5,245 7,249 2,250 2,253 2,258 4,263 4,271 4,275 1111,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.03,282 7.599,283 10.262,284 18.499,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 10.446,291 3.678,292 4.875,293 15.851,294 3.188,295 1.549,296 0.675,297 0.263,298 0.263,299 0.263,300 4.033,302 1,304 1,305 1,306 637,307 3.317,310 66.353,311 249.684,314 112.695,318 1.676,319 41.611,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60.333,331 290,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.099,341 4.47,342 3.187,343 6.321,344 3.984,345 3.025,346 4.391,348 9.673,349 2.911,350 4.236,351 2.966,352 6.108,353 3.732,354 2.808,355 3.925,357 8.909,358 2.593,359 3.855,360 2.873,361 5.858,362 3.419,363 2.476,364 3.398,366 8.003,367 2.318,368 3.797,369 2.589,370 5.14,371 3.314,372 2.377,373 3.264,375 6.301,376 2.193,377 3.083,378 1.988,379 4.734,380 2.59,381 1.644,382 2.302,384 4.775,385 1.543,386 3.034,387 1.643,388 4.459,389 2.486,390 1.535,391 2.296,393 4.372,394 1.456,395 2.97,396 1.534,397 4.292,398 2.445,399 1.49,400 2.189,402 3.999,403 1.409,404 2.828,405 1.488,406 4.144,407 2.297,408 1.383,409 1.952,411 3.685,412 1.216,413 2.541,414 1.063,415 3.437,416 2,417 1.048,418 1.562,420 2.377,421 1,422 2.5,423 1,424 3.414,425 1.997,426 1,427 1.5,428 2.275,429 0.988,430 1.916,431 0.699,432 3.216,433 1.38,434 0.437,435 0.639,436 1.059,437 0.406,438 1.486,439 0.574,440 3.045,441 1.055,442 0.194,443 0.241,445 0.486,446 0.15,447 1.12,448 0.38,449 2.717,450 0.671,451 -0.211,452 -0.262,454 -0.468,455 -0.177,456 1,457 -0.102,458 2.648,459 0.543,460 -0.393,461 -0.51,463 -1.132,464 -0.347,465 13,466 0.481,467 0.837,468 0.031,469 41.5,470 1.537,471 23.5,472 0.87,473 18,474 0.667,475 17.423,476 0.645,477 27.8,478 0.732,479 31.597,480 1.17,481 8.16,482 0.302,483 4.761,484 0.176,485 0.128,486 0.064,487 0.3,491 1,493 0.533,494 1.106,495 0.635,496 1.099,497 0.612,498 0.786,499 0.616,500 0.963,501 0.739,502 0.904,503 0.567,504 0.864,505 0.996,506 1.084,507 1.001,508 1.116,509 0.958,510 1.102,511 1.253,512 0.997,513 1.312,514 1.198,515 1.221,516 1.164,517 0.95,518 0.706,519 0.797,520 0.78,521 1.121,522 0.814,523 0.626,524 0.937,525 0.854,526 0.918,527 0.512,528 0.948,529 1.166,530 0.808,531 1.6,532 1.08,533 0.962,534 1.031,535 1.204,536 0.866,537 1.489,538 1.042,539 1.255,540 1.081,541 7,542 0.148,543 4.222,544 1.819,545 1.724,546 1.128,547 0.637,548 0.464,549 0.34,550 0.212,551 9029,552 34937,553 2.088,554 28.9,556 7,557 1,558 2,559 1,564 1.701,565 1.94,566 3.406,567 -0.199,568 1,569 1,573 78.271,574 2.06,575 3.699,576 4.573,577 4.985,578 4.985,579 4.985,580 2.908,581 4.255,582 4.728,583 3.544,584 1244,585 8.209,586 15753,588 1,590 1,591 199.421,592 1.596,593 4.673,594 0.233,595 0.008,596 0.096,597 0.042,598 0.047,599 0.031,600 0.018,601 0.015,602 0.013,603 0.009,604 0.512,605 0.17,606 1,607 0.584,608 133.327,609 0.042,610 -0.117,611 0.116,612 -0.128,613 -0.114,614 -0.001,615 0.133,616 0.009,617 -0.036,618 -0.028,619 0.156,620 -0.079,621 -0.129,622 -0.11,623 -0.09,624 -0.104,625 -0.071,626 -0.15,627 -0.279,628 -0.111,629 -0.17,630 -0.107,631 -0.197,632 -0.131,633 0.034,634 0.058,635 0.186,636 0.165,637 -0.048,638 0.2,639 0.278,640 0.003,641 0.102,642 0.027,643 0.365,644 0.012,645 -0.225,646 0.058,647 -0.256,648 -0.038,649 -0.128,650 -0.005,651 -0.149,652 0.005,653 -0.251,654 -0.021,655 -0.188,656 -0.105,657 4.86,658 5.512,659 0.778,660 22.746,661 1.042,662 1.126,663 3.132,664 9.808,665 0.748,666 3.434,667 3.807,668 4.06,669 4.29,670 4.522,671 4.605,672 4.673,673 4.779,674 4.86,675 4.942,676 6.307,677 0.738,678 403.85,679 3.434,680 5.004,681 5.861,682 6.753,683 7.627,684 8.52,685 9.399,686 10.293,687 11.174,688 12.068,689 13.2,694 1,697 1,699 3,703 1,704 10,705 3,709 6,711 22,730 2,731 38,733 24,734 1,735 30,737 41,738 17,739 17,740 2,741 4,746 4,747 5,748 1,761 17,766 2,769 1,771 2,778 1,779 1,781 11,782 7,783 1,784 10,785 2,790 5,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,845 1,846 1,848 27,852 1,855 1,867 1,869 2,870 5.3,873 2,877 13.917,878 6.919,879 5.708,880 2.021,881 4.082,882 1.544,883 1.044,884 4.461,885 11.592,886 3.784,887 4.491,888 5.071,889 5.662,890 6.209,891 6.545,892 6.944,893 7.353,894 7.666,895 8.089,896 1,897 43,898 10.231,900 4.806,901 8.174,902 18.212,904 15.174,905 2.674,906 72.194,910 117.711,911 123.441,912 67.803,913 39.149,914 44.313,915 14.96,916 5.807,917 117.634,918 201.173,919 82.763,922 81.189,923 144.706,924 30.134,925 68.952,926 82.398,928 117.711,929 185.437,930 59.273,931 44.956,933 132.671,934 44.313,937 20.668,938 98.253,939 72.324,940 39.149,941 132.671,942 112.116,943 162.59,945 5.807,946 117.711,947 24.587,948 94.334,949 16.405,950 148.533,951 117.711,952 127.076,953 162.59,955 0.6,956 0.345,957 0.173,958 0.096,959 23,960 10,961 0.098,962 4,963 1,964 1.095,965 3.854,966 236.521,967 0.095,968 21,969 122.382,973 1,974 17.712,975 6.8,976 3.589,977 0.679,978 125.79,979 14.515,980 11.798,984 0.911,986 16.405,987 407.377,988 43,991 -3.944,993 25.025,999 39.611,1000 42.775,1001 0.392,1002 0.705,1003 0.871,1004 0.95,1005 0.95,1006 0.95,1007 5.027,1008 1.49,1009 5.894,1010 4.372,1011 4.489,1012 5.179,1014 6.753,1015 4.357,1016 6.299,1017 1.383,1018 7.495,1019 3.999,1020 4.29,1021 5.27,1023 7.941,1024 4.039,1025 7.664,1026 1.048,1027 9.205,1028 3.685,1029 6.184,1030 7.56,1032 10.964,1033 5.918,1034 9.07,1035 1,1036 10.983,1037 2.377,1038 6.781,1039 8.45,1041 12.973,1042 6.385,1043 10.508,1044 0.437,1045 12.805,1046 2.275,1047 8.203,1048 10.256,1050 15.601,1051 7.784,1052 11.971,1053 0.194,1054 14.659,1055 1.059,1056 9.136,1057 11.49,1059 17.921,1060 8.595,1061 13.452,1062 -0.211,1063 16.537,1064 0.486,1065 10.395,1066 13.117,1068 20.45,1069 9.809,1070 3.4,1071 -0.393,1072 18.433,1073 -0.468,1074 11.473,1075 14.506,1077 22.889,1078 10.777,1079 3.025,1080 12.528,1081 20.344,1082 -1.132,1083 12.679,1084 16.065,1086 25.401,1087 11.92,1088 2.808,1089 9.673,1090 22.267,1091 4.709,1092 13.822,1093 17.526,1095 27.889,1096 12.96,1097 2.476,1098 8.909,1099 24.199,1100 4.391,1101 15.015,1102 19.061,1104 30.402,1105 14.077,1106 2.377,1107 8.003,1108 26.141,1109 3.925,1110 16.188,1111 20.556,1113 32.91,1114 15.152,1115 1.644,1116 6.301,1117 28.089,1118 3.398,1119 17.383,1120 22.084,1122 35.428,1123 16.261,1124 1.535,1125 4.775,1126 30.044,1127 3.264,1128 18.572,1129 23.596,1131 37.946,1132 17.355,1133 8511,1134 16918,1135 19.879,1136 28.426,1137 45.885,1138 47.35,1139 46.693,1140 45.771,1141 45.632,1142 64.736,1144 136.883,1145 42.562,1146 5.694,1147 6.686,1148 6.821,1149 5.38,1150 5.4,1151 7.709,1153 19.92,1154 5.099,1155 13.064,1156 1.529,1157 1.578,1158 1.556,1159 1.526,1160 1.521,1161 2.158,1163 4.563,1164 1.419,1165 4.131,1166 4.169,1167 4.737,1168 4.075,1169 8.201,1170 4.017,1171 4.054,1172 4.048,1173 4.088,1174 3.947,1175 7.717,1176 3.937,1177 3.822,1178 3.858,1179 3.93,1180 3.697,1181 6.999,1182 3.713,1183 3.599,1184 3.579,1185 3.719,1186 3.504,1187 5.184,1188 3.439,1189 3.271,1190 3.321,1191 3.411,1192 3.111,1193 5.024,1194 3.127,1195 2.946,1196 2.997,1197 3.056,1198 2.836,1199 4.584,1200 2.828,1201 2.854,1202 2.925,1203 2.783,1204 2.735,1205 4.463,1206 2.715,1207 2.802,1208 2.877,1209 2.715,1210 2.594,1211 4.192,1212 2.61,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.86,1219 0.157,1220 4.686,1222 7.311,1223 0.418,1224 4.319,1225 0.103,1226 3.4,1227 4.709,1229 12.528,1230 3.099,1231 1.987,1232 1.981,1233 2.037,1234 2.099,1235 1.182,1236 2.097,1237 1.932,1238 1.918,1239 1.963,1240 2.019,1241 1.133,1242 2.04,1243 1.714,1244 1.68,1245 1.774,1246 1.862,1247 0.874,1248 1.849,1249 1.395,1250 1.43,1251 1.376,1252 1.559,1253 0.528,1254 1.588,1255 1.222,1256 1.143,1257 1.194,1258 1.52,1259 0.339,1260 1.476,1261 0.956,1262 0.933,1263 1.181,1264 1.111,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 0.993,1270 1.062,1271 0.177,1272 1.094,1273 0.734,1274 0.661,1275 0.954,1276 0.989,1278 0.988,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.639,1286 6.581,1287 10.305,1290 6.057,1291 13.037,1296 2.388,1305 28.042,1306 78.271,1307 140.55,1308 173.77,1309 189.421,1310 189.421,1311 189.421,1312 55.539,1313 7.509,1314 89.25,1315 97.63,1316 23,1317 12.596,1318 4.644,1319 3.807,1320 40.202,1321 101,1322 107,1323 0.192,1324 177.619,1325 295.59,1326 425.15,1327 18792,1328 5.3,1329 19.018,1330 0.704,1331 0.56,1332 18.898,1333 15.115,1334 12.921,1335 0.431,1336 0.317,1337 7.681,1338 11.296,1339 7.412,1340 6.109,1341 13.637,1342 9.521,1343 12.484,1344 0.284,1345 0.174,1346 13.534,1347 7.676,1348 10.309,1349 0.181,1350 0.097,1351 11.37,1352 5.514,1353 8.215,1354 0.114,1355 0.052,1356 9.354,1357 3.757,1358 6.654,1359 0.073,1360 0.029,1361 7.878,1362 2.667,1363 0.3,1364 93.141,1365 0.224,1366 25.837,1367 0.531,1368 148,1369 563.559,1370 218.263,1371 571.538,1372 756.17,1373 524,1374 175,1375 507.395,1376 249.667,1377 552.943,1378 803.22,1379 516,1380 7.292}
{0 CHEMBL1822214,1 2.041,2 10.741,3 4.449,4 19.794,5 107.946,6 11.05,7 0.733,8 3.793,9 3.849,10 3.868,11 3.525,12 5.013,13 3.48,14 4.274,15 4.35,16 4.194,17 3.911,18 5.783,19 3.858,20 4.491,21 4.607,22 4.233,23 4.002,24 5.862,25 3.919,26 4.537,27 4.681,28 4.154,29 3.907,30 5.887,31 3.817,32 4.42,33 4.572,34 4.118,35 3.752,36 5.894,37 3.716,38 4.276,39 4.405,40 4.085,41 3.754,42 5.904,43 3.69,44 4.294,45 4.439,46 3.989,47 3.73,48 5.635,49 3.629,50 4.109,51 4.229,52 3.852,53 3.555,54 5.519,55 3.478,56 0.147,57 0.615,58 3.868,59 3.32,60 21.783,61 2.638,62 0.405,63 0.954,64 5.47,65 5.231,66 52.517,67 4.609,68 0.499,69 1.214,70 14.103,71 8.137,72 58.983,73 7.083,74 0.653,75 1.215,76 26.994,77 9.349,78 86.137,79 7.463,80 0.721,81 1.018,82 15.64,83 7.167,84 106.905,85 6.21,86 0.589,87 0.971,88 9.9,89 5.939,90 87.745,91 5.655,92 0.516,93 0.942,94 22.107,95 7.305,96 60.462,97 6.059,98 0.432,99 0.756,100 13.332,101 5.41,102 57.693,103 4.517,104 17,105 44,106 0.355,107 0.623,108 0.766,109 0.866,110 0.866,111 0.866,112 3.34,113 1.034,114 -3.69,115 -3.65,116 -3.48,119 47.4,142 8,143 3,144 3,145 2,147 1,152 1,172 8,174 1,175 3,178 2,180 1,183 9,187 8,190 1,192 4,195 9,199 10,204 3,207 3,211 2,212 7,217 2,220 3,224 5,229 2,232 8,236 1,237 6,245 8,250 4,253 1,258 6,263 1,271 8,275 1111,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.03,282 7.599,283 10.262,284 18.475,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 10.446,291 3.678,292 4.875,293 15.796,294 3.207,295 1.664,296 0.842,297 0.263,298 0.263,299 0.263,300 4.033,302 1,304 1,305 1,306 637,307 3.317,310 66.353,311 249.684,314 112.695,318 1.676,319 40.564,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.333,331 290,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.1,341 4.47,342 3.187,343 6.321,344 3.999,345 3.025,346 4.391,348 9.673,349 2.948,350 4.236,351 2.966,352 6.108,353 3.744,354 2.808,355 3.925,357 8.909,358 2.629,359 3.855,360 2.873,361 5.858,362 3.42,363 2.476,364 3.398,366 8.003,367 2.318,368 3.797,369 2.589,370 5.14,371 3.314,372 2.377,373 3.264,375 6.301,376 2.192,377 3.083,378 1.988,379 4.734,380 2.59,381 1.644,382 2.302,384 4.775,385 1.543,386 3.034,387 1.643,388 4.459,389 2.503,390 1.535,391 2.296,393 4.372,394 1.476,395 2.97,396 1.534,397 4.292,398 2.438,399 1.49,400 2.189,402 3.999,403 1.392,404 2.828,405 1.488,406 4.144,407 2.297,408 1.383,409 1.952,411 3.685,412 1.215,413 2.541,414 1.063,415 3.437,416 2.012,417 1.048,418 1.562,420 2.377,421 1.003,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.916,431 0.699,432 3.216,433 1.361,434 0.437,435 0.639,436 1.059,437 0.392,438 1.486,439 0.574,440 3.045,441 1.056,442 0.194,443 0.241,445 0.486,446 0.15,447 1.12,448 0.38,449 2.717,450 0.673,451 -0.211,452 -0.262,454 -0.468,455 -0.177,456 1,457 -0.102,458 2.648,459 0.556,460 -0.393,461 -0.51,463 -1.132,464 -0.349,465 13.533,466 0.501,467 0.837,468 0.031,469 40.5,470 1.5,471 23.5,472 0.87,473 17,474 0.63,475 18.897,476 0.7,477 27.267,478 0.718,479 30.124,480 1.116,481 7.749,482 0.287,483 5.172,484 0.192,485 0.123,486 0.062,487 0.296,491 1,493 0.487,494 0.994,495 0.653,496 1.003,497 0.613,498 0.737,499 0.571,500 0.909,501 0.735,502 0.842,503 0.56,504 0.847,505 0.966,506 1.053,507 1.033,508 1.103,509 0.942,510 1.106,511 1.245,512 0.99,513 1.257,514 1.154,515 1.207,516 1.163,517 0.948,518 0.712,519 0.699,520 0.699,521 1.119,522 0.798,523 0.635,524 0.886,525 0.801,526 0.8,527 0.51,528 0.888,529 1.192,530 0.864,531 1.593,532 1.12,533 0.948,534 1.061,535 1.33,536 0.899,537 1.346,538 0.992,539 1.276,540 1.036,541 7,542 0.148,543 4.222,544 1.819,545 1.724,546 1.128,547 0.637,548 0.464,549 0.34,550 0.212,551 9029,552 35105,553 2.088,554 28.9,556 8,558 2,559 1,564 1.701,565 1.94,566 3.406,567 -0.236,569 1,573 77.554,574 2.041,575 3.584,576 4.406,577 4.985,578 4.985,579 4.985,580 2.908,581 4.255,582 4.728,583 3.544,584 1244,585 8.209,586 15753,588 1,590 1,591 199.421,592 1.596,593 4.673,594 0.233,595 0.008,596 0.096,597 0.042,598 0.047,599 0.031,600 0.018,601 0.015,602 0.013,603 0.009,604 0.512,605 0.33,606 1,607 0.584,608 133.327,609 0.057,610 -0.1,611 0.103,612 -0.112,613 -0.12,614 0.023,615 0.154,616 -0.009,617 -0.025,618 -0.01,619 0.163,620 -0.073,621 -0.098,622 -0.101,623 -0.129,624 -0.133,625 -0.057,626 -0.171,627 -0.254,628 -0.093,629 -0.194,630 -0.128,631 -0.182,632 -0.147,633 0.056,634 0.059,635 0.174,636 0.163,637 -0.041,638 0.193,639 0.282,640 0.051,641 0.093,642 0.077,643 0.368,644 0.045,645 -0.249,646 0.021,647 -0.295,648 -0.071,649 -0.115,650 -0.031,651 -0.261,652 -0.035,653 -0.205,654 -0.029,655 -0.205,656 -0.075,657 4.843,658 5.526,659 0.778,660 22.746,661 1.036,662 1.108,663 2.457,664 6.036,665 0.785,666 3.434,667 3.807,668 4.06,669 4.29,670 4.522,671 4.605,672 4.673,673 4.779,674 4.86,675 4.942,676 6.307,677 0.756,678 419.91,679 3.434,680 5.004,681 5.861,682 6.753,683 7.627,684 8.52,685 9.399,686 10.293,687 11.174,688 12.068,689 7.9,694 1,699 2,703 2,704 10,705 2,708 1,709 6,711 22,730 2,731 38,733 24,734 2,735 30,737 41,738 18,739 18,740 5,741 7,746 4,747 5,748 1,761 18,766 2,769 1,771 2,778 1,779 1,781 11,782 6,783 1,784 9,785 3,788 1,790 3,794 0.75,795 2,805 1,811 1,812 3,815 1,840 3,842 2,845 1,846 1,848 27,852 1,855 1,869 2,870 5.3,873 2,877 13.917,878 6.936,879 5.708,880 2.052,881 4.082,882 1.544,883 1.051,884 4.745,885 11.592,886 3.784,887 4.491,888 5.071,889 5.662,890 6.209,891 6.545,892 6.944,893 7.353,894 7.666,895 8.089,896 1,897 43,898 10.258,900 4.823,901 8.118,902 18.441,904 15.54,905 2.618,906 70.694,910 117.711,911 156.954,912 48.167,913 39.149,914 44.313,915 14.96,916 36.859,917 120.095,918 201.173,919 63.127,922 81.617,923 116.022,924 40.467,925 57.926,926 125.221,928 117.711,929 168.262,930 59.273,931 76.008,933 132.671,934 44.313,937 18.095,938 102,939 53.974,940 70.201,941 132.671,942 92.48,943 196.103,945 5.807,946 117.711,947 57.242,948 93.905,949 16.405,950 130.183,951 117.711,952 107.44,953 196.103,955 0.6,956 0.345,957 0.173,958 0.096,959 23,960 10,961 0.098,962 4,963 1,964 1.095,965 3.854,966 236.521,967 0.095,968 21,969 122.382,970 1,973 1,974 18.145,975 7.061,976 3.754,977 2.041,978 107.44,979 15.261,980 8.223,983 1.398,984 1.119,986 16.405,987 421.254,988 43,991 -3.927,993 25.052,999 39.367,1000 42.113,1001 0.389,1002 0.683,1003 0.84,1004 0.95,1005 0.95,1006 0.95,1007 5.027,1008 1.49,1009 5.894,1010 4.372,1011 4.489,1012 5.179,1014 6.753,1015 4.366,1016 6.299,1017 1.383,1018 7.495,1019 3.999,1020 4.29,1021 5.27,1023 7.941,1024 4.056,1025 7.664,1026 1.048,1027 9.205,1028 3.685,1029 6.184,1030 7.56,1032 10.964,1033 5.94,1034 9.07,1035 1,1036 10.983,1037 2.377,1038 6.781,1039 8.45,1041 12.973,1042 6.414,1043 10.508,1044 0.437,1045 12.805,1046 2.275,1047 8.203,1048 10.256,1050 15.601,1051 7.82,1052 11.971,1053 0.194,1054 14.659,1055 1.059,1056 9.136,1057 11.49,1059 17.921,1060 8.635,1061 13.452,1062 -0.211,1063 16.537,1064 0.486,1065 10.395,1066 13.117,1068 20.45,1069 9.856,1070 3.4,1071 -0.393,1072 18.433,1073 -0.468,1074 11.473,1075 14.506,1077 22.889,1078 10.827,1079 3.025,1080 12.528,1081 20.344,1082 -1.132,1083 12.679,1084 16.065,1086 25.401,1087 11.974,1088 2.808,1089 9.673,1090 22.267,1091 4.709,1092 13.822,1093 17.526,1095 27.889,1096 13.017,1097 2.476,1098 8.909,1099 24.199,1100 4.391,1101 15.015,1102 19.061,1104 30.402,1105 14.138,1106 2.377,1107 8.003,1108 26.141,1109 3.925,1110 16.188,1111 20.556,1113 32.91,1114 15.215,1115 1.644,1116 6.301,1117 28.089,1118 3.398,1119 17.383,1120 22.084,1122 35.428,1123 16.327,1124 1.535,1125 4.775,1126 30.044,1127 3.264,1128 18.572,1129 23.596,1131 37.946,1132 17.421,1133 8511,1134 16957,1135 19.879,1136 29.824,1137 45.885,1138 47.35,1139 46.693,1140 45.755,1141 45.632,1142 64.736,1144 136.883,1145 42.714,1146 5.694,1147 6.686,1148 6.821,1149 5.379,1150 5.4,1151 7.709,1153 19.92,1154 5.1,1155 13.064,1156 1.529,1157 1.578,1158 1.556,1159 1.525,1160 1.521,1161 2.158,1163 4.563,1164 1.424,1165 4.116,1166 4.118,1167 4.738,1168 4.096,1169 8.201,1170 4.05,1171 4.038,1172 4.028,1173 4.3,1174 4.034,1175 7.717,1176 3.96,1177 3.815,1178 3.843,1179 3.971,1180 3.741,1181 6.999,1182 3.734,1183 3.597,1184 3.575,1185 3.72,1186 3.514,1187 5.054,1188 3.443,1189 3.263,1190 3.296,1191 3.534,1192 3.199,1193 4.929,1194 3.161,1195 2.937,1196 2.974,1197 3.136,1198 2.873,1199 4.584,1200 2.846,1201 2.854,1202 2.925,1203 2.897,1204 2.735,1205 4.414,1206 2.715,1207 2.8,1208 2.872,1209 2.733,1210 2.65,1211 4.169,1212 2.624,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.86,1219 0.157,1220 4.686,1222 7.311,1223 0.418,1224 4.319,1225 0.103,1226 3.4,1227 4.709,1229 12.528,1230 3.1,1231 1.997,1232 1.991,1233 2.043,1234 2.065,1235 1.214,1236 2.085,1237 1.939,1238 1.94,1239 1.963,1240 1.999,1241 1.148,1242 2.021,1243 1.726,1244 1.703,1245 1.776,1246 1.828,1247 0.904,1248 1.831,1249 1.396,1250 1.433,1251 1.354,1252 1.554,1253 0.535,1254 1.585,1255 1.245,1256 1.211,1257 1.188,1258 1.389,1259 0.398,1260 1.415,1261 0.969,1262 0.971,1263 1.181,1264 1.062,1265 0.222,1266 1.107,1267 0.886,1268 0.821,1269 0.984,1270 1.03,1271 0.218,1272 1.052,1273 0.739,1274 0.685,1275 0.953,1276 0.96,1277 0.007,1278 0.971,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.639,1286 6.581,1287 10.305,1290 6.074,1291 13.044,1296 2.41,1305 28.713,1306 77.554,1307 136.202,1308 167.421,1309 189.421,1310 189.421,1311 189.421,1312 56.313,1313 7.509,1314 71.95,1315 108.57,1316 23,1317 12.596,1318 4.644,1319 3.807,1320 40.202,1321 101,1322 107,1323 0.192,1324 184.753,1325 309.4,1326 442.558,1327 18792,1328 5.3,1329 19.018,1330 0.704,1331 0.591,1332 19.252,1333 15.946,1334 12.921,1335 0.431,1336 0.345,1337 7.838,1338 10.978,1339 7.468,1340 6.148,1341 14.091,1342 10.345,1343 12.484,1344 0.284,1345 0.195,1346 14.117,1347 8.574,1348 10.309,1349 0.181,1350 0.111,1351 12.028,1352 6.355,1353 8.215,1354 0.114,1355 0.062,1356 10.031,1357 4.437,1358 6.654,1359 0.073,1360 0.034,1361 8.351,1362 3.089,1363 0.3,1364 96.653,1365 0.224,1366 25.837,1367 0.531,1368 148,1369 541.129,1370 236.299,1371 573.574,1372 757.58,1373 526,1374 175,1375 484.435,1376 263.906,1377 551.103,1378 800.12,1379 515,1380 7.119}
{0 CHEMBL1834657,1 1.729,2 16.316,3 5.343,4 28.544,5 150.96,6 8.124,7 0.439,8 4.336,9 4.459,10 3.971,11 3.804,12 5.442,13 3.8,14 4.879,15 5.072,16 4.342,17 4.18,18 5.938,19 4.158,20 5.081,21 5.27,22 4.563,23 4.381,24 6.169,25 4.338,26 5.209,27 5.41,28 4.553,29 4.472,30 6.303,31 4.366,32 5.284,33 5.532,34 4.47,35 4.393,36 6.35,37 4.293,38 5.126,39 5.363,40 4.354,41 4.275,42 6.234,43 4.19,44 5.007,45 5.219,46 4.257,47 4.22,48 6.099,49 4.128,50 4.962,51 5.174,52 4.186,53 4.148,54 6.065,55 4.078,56 0.103,57 1.031,58 13.148,59 5.647,60 9.627,61 7.538,62 0.636,63 1.567,64 28.915,65 9.087,66 36.473,67 12.417,68 0.737,69 1.85,70 38.147,71 11.546,72 44.725,73 15.787,74 0.883,75 1.955,76 50.077,77 15.381,78 73.06,79 20.563,80 1.071,81 1.948,82 58.945,83 15.877,84 98.424,85 22.305,86 1.064,87 1.739,88 42.02,89 12.197,90 84.59,91 17.271,92 0.71,93 1.526,94 47.449,95 11.795,96 64.041,97 16.015,98 0.76,99 1.498,100 35.715,101 10.455,102 67.558,103 14.042,104 59,105 57,106 0.272,107 0.579,108 0.733,109 0.803,110 0.813,111 0.813,112 3.667,113 0.945,114 -4.31,115 -4.25,116 -4.01,119 37.7,120 1,124 3,125 5,142 6,144 7,147 2,148 1,159 1,172 2,174 3,175 8,178 3,180 3,183 2,186 1,187 4,192 4,195 4,198 3,199 3,202 5,204 2,207 3,212 11,215 1,220 2,223 5,224 8,227 2,228 1,236 1,237 7,245 4,249 2,250 5,253 1,255 2,258 3,262 2,263 4,268 4,275 3000,276 25.695,277 25.695,278 25.695,279 25.695,280 25.695,281 23.31,282 41.542,283 14.812,284 26.816,285 19.95,286 19.95,287 19.95,288 19.95,289 19.95,290 16.22,291 63.434,292 6.723,293 21.646,294 4.38,295 2.429,296 1.446,297 1,298 0.942,299 0.942,300 4.358,301 2,305 1,306 1314,307 4.062,311 573.886,318 2.684,319 37.793,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 83.167,331 620,332 4.545,333 3.737,334 6.738,335 4.107,336 3.191,337 4.265,338 1.701,339 10.859,340 2.887,341 4.238,342 3.512,343 6.34,344 3.886,345 2.951,346 3.791,347 0.86,348 9.466,349 2.758,350 4.137,351 3.148,352 6.15,353 3.831,354 2.888,355 3.661,356 0.86,357 9.082,358 2.714,359 3.842,360 2.975,361 5.822,362 3.543,363 2.602,364 3.114,365 0.8,366 7.676,367 2.442,368 3.7,369 2.89,370 5.594,371 3.344,372 2.41,373 3.059,374 0.8,375 7.649,376 2.252,377 3.639,378 2.729,379 5.394,380 3.26,381 2.39,382 2.905,383 0.563,384 6.825,385 2.104,386 3.44,387 2.591,388 5.299,389 3.181,390 2.236,391 2.673,392 0.4,393 6.727,394 2.021,395 3.373,396 2.484,397 5.138,398 3.005,399 2.073,400 2.466,401 0.075,402 6.17,403 1.918,404 3.14,405 2.15,406 4.799,407 2.691,408 1.743,409 2.322,411 5.066,412 1.633,413 2.7,414 1.986,415 4.327,416 2.407,417 1.454,418 1.764,420 4.056,421 1.381,422 2.636,423 1.637,424 3.759,425 2.127,426 1.206,427 1.665,428 2.699,429 1.106,430 2.5,431 1.433,432 3.692,433 2,434 1,435 1.5,436 2.275,437 1,438 2.103,439 1.351,440 3.467,441 1.967,442 1,443 1.07,445 2.275,446 0.965,447 2,448 1.146,449 3.414,450 1.745,451 1,452 1,454 2.131,455 0.683,456 1.97,457 1.038,458 3.414,459 1.655,460 0.756,461 0.863,463 1.925,464 0.659,465 18.229,466 0.48,467 0.921,468 0.024,469 49,470 1.289,471 22.5,472 0.592,473 26.5,474 0.697,475 36.528,476 0.961,477 42.371,478 0.614,479 41.834,480 1.101,481 9.887,482 0.26,483 8.45,484 0.222,485 0.206,487 0.34,493 0.837,494 1.699,495 0.619,496 1.156,497 0.62,498 1.006,499 1.063,500 0.966,501 0.686,502 0.689,503 0.654,504 0.724,505 0.946,506 1.139,507 0.813,508 0.96,509 0.795,510 0.925,511 0.783,512 1.101,513 1.011,514 1.151,515 1.061,516 1.164,517 0.734,518 1.041,519 0.905,520 1.092,521 0.87,522 0.968,523 0.905,524 0.897,525 0.773,526 0.751,527 0.887,528 0.849,529 1.186,530 1.09,531 1.519,532 1.237,533 1.269,534 1.11,535 1.34,536 1.001,537 0.966,538 0.877,539 1.557,540 0.947,541 8,542 0.276,543 4.889,544 2.938,545 2.262,546 1.528,547 0.992,548 0.63,549 0.395,550 0.277,551 24501,552 69799,553 2.022,554 44.9,556 25,558 1,559 2,561 3,564 1.783,565 1.869,566 3.936,567 0.227,573 119.29,574 1.729,575 3.679,576 4.663,577 5.108,578 5.166,579 5.166,580 3.422,581 4.596,582 5.218,583 4.149,584 2916.68,585 9.167,586 50851.9,591 421.488,592 1.49,593 5.165,594 0.195,595 0.008,596 0.086,597 0.046,598 0.039,599 0.028,600 0.019,601 0.013,602 0.009,603 0.007,604 0.45,605 0.17,606 0.75,607 0.877,608 214.934,609 -0.064,610 -0.414,611 0.031,612 -0.164,613 -0.034,614 -0.059,615 -0.037,616 0.186,617 0.092,618 0.23,619 0.07,620 0.189,621 0.016,622 -0.009,623 0.081,624 0.009,625 0.081,626 0.021,627 0.131,628 -0.06,629 -0.004,630 -0.124,631 0.042,632 -0.165,633 0.2,634 -0.117,635 0.126,636 -0.089,637 0.216,638 0.047,639 0.131,640 0.111,641 0.095,642 0.174,643 0.187,644 0.098,645 -0.141,646 -0.086,647 -0.219,648 -0.187,649 -0.088,650 -0.112,651 -0.176,652 0.023,653 -0.072,654 0.07,655 -0.164,656 -0.007,657 2.179,658 6.041,659 0.632,660 50.942,661 1.012,662 1.136,663 3.08,664 9.484,665 0.667,666 3.738,667 4.06,668 4.344,669 4.543,670 4.771,671 4.812,672 4.86,673 4.89,674 4.97,675 5.088,676 9.307,677 0.635,678 560.54,679 3.738,680 5.283,681 6.138,682 7.009,683 7.877,684 8.752,685 9.624,686 10.5,687 11.373,688 12.251,689 10.1,692 1,695 1,696 2,697 1,699 2,704 7,705 2,709 9,711 18,724 1,726 1,729 2,730 2,731 69,733 19,734 2,735 41,737 72,738 26,739 16,740 7,741 5,746 4,747 4,748 2,751 1,752 1,761 17,762 9,766 1,771 1,775 1,781 31,782 10,783 2,784 12,785 2,790 7,794 1,795 3,806 1,812 4,836 1,840 4,844 4,845 2,848 38,854 5,855 2,856 2,859 3,869 2,870 4.3,873 1,875 2,877 20.333,878 13.619,879 8.611,880 4.002,881 3.383,882 1.411,883 0.962,884 9.784,885 11.607,886 3.951,887 4.516,888 5.051,889 5.552,890 6.066,891 6.211,892 6.43,893 6.711,894 6.984,895 7.325,896 0.909,897 64,898 14.016,900 5.817,901 7.747,902 26.581,904 21.034,905 2.247,906 85.389,910 341.362,911 149.682,912 78.966,913 78.297,914 47.145,917 149.682,918 466.804,919 78.966,920 38.988,921 31.664,922 56.857,923 70.487,924 80.636,925 8.932,926 329.591,927 78.297,928 341.362,929 228.648,930 47.145,931 78.297,933 306.049,934 82.458,937 70.242,938 124.834,939 111.868,941 341.362,942 126.11,943 227.98,946 341.362,947 45.218,948 113.837,949 36.022,950 159.013,951 341.362,952 126.11,953 227.98,955 0.58,956 0.358,957 0.184,958 0.1,959 25,960 13,961 0.111,962 8,964 1,965 4.757,966 358.627,968 24,969 181.421,974 28.513,975 13.04,976 6.754,978 126.11,979 12.832,980 8.524,984 4.08,986 36.022,987 695.452,988 51,993 13.041,997 -0.513,999 69.829,1000 78.402,1001 0.283,1002 0.602,1003 0.763,1004 0.836,1005 0.846,1006 0.846,1007 5.201,1008 2.073,1009 6.129,1010 6.727,1011 4.745,1012 5.204,1013 2.454,1014 6.942,1015 4.585,1016 6.395,1017 1.743,1018 7.7,1019 6.17,1020 4.369,1021 5.027,1022 1.494,1023 7.854,1024 4.099,1025 7.7,1026 1.454,1027 9.368,1028 5.066,1029 6.354,1030 7.343,1031 2.739,1032 10.93,1033 6.049,1034 9.038,1035 1.206,1036 11.09,1037 4.056,1038 6.781,1039 7.951,1040 2.523,1041 12.619,1042 6.346,1043 10.406,1044 1,1045 12.847,1046 2.699,1047 8.231,1048 9.772,1049 3.458,1050 15.229,1051 7.769,1052 11.793,1053 1,1054 14.627,1055 2.275,1056 9.018,1057 10.748,1058 3.619,1059 17.257,1060 8.427,1061 13.197,1062 1,1063 16.423,1064 2.275,1065 10.261,1066 12.365,1067 4.377,1068 19.706,1069 9.63,1070 3.191,1071 0.756,1072 18.233,1073 2.131,1074 11.221,1075 13.538,1076 4.719,1077 21.898,1078 10.469,1079 2.951,1080 10.859,1081 20.054,1082 1.925,1083 12.383,1084 15.058,1085 5.377,1086 24.288,1087 11.575,1088 2.888,1089 9.466,1090 21.883,1091 4.265,1092 13.427,1093 16.343,1094 5.808,1095 26.563,1096 12.507,1097 2.602,1098 9.082,1099 23.72,1100 3.791,1101 14.56,1102 17.815,1103 6.41,1104 28.933,1105 13.569,1106 2.41,1107 7.676,1108 25.563,1109 3.661,1110 15.646,1111 19.164,1112 6.887,1113 31.252,1114 14.55,1115 2.39,1116 7.649,1117 27.413,1118 3.114,1119 16.772,1120 20.614,1121 7.458,1122 33.617,1123 15.593,1124 2.236,1125 6.825,1126 29.267,1127 3.059,1128 17.88,1129 22,1130 7.96,1131 35.96,1132 16.599,1133 23569,1134 40289,1135 26.759,1136 46.017,1137 60.772,1138 63.042,1139 64.294,1140 60.698,1141 60.498,1142 75.188,1143 12.12,1144 174.522,1145 55.409,1146 5.545,1147 5.737,1148 6.289,1149 5.191,1150 5.191,1151 7.265,1152 2.972,1153 18.369,1154 4.887,1155 22.696,1156 1.482,1157 1.538,1158 1.568,1159 1.48,1160 1.476,1161 1.834,1162 0.296,1163 4.257,1164 1.351,1165 4.007,1166 4.052,1167 4.126,1168 3.892,1169 7.43,1170 3.9,1171 3.933,1172 3.952,1173 3.928,1174 3.848,1175 5.075,1176 3.852,1177 3.844,1178 3.898,1179 3.799,1180 3.66,1181 5.007,1182 3.688,1183 3.74,1184 3.798,1185 3.636,1186 3.575,1187 4.743,1188 3.58,1189 3.483,1190 3.542,1191 3.603,1192 3.212,1193 4.708,1194 3.249,1195 3.381,1196 3.469,1197 3.425,1198 3.18,1199 4.539,1200 3.173,1201 3.307,1202 3.355,1203 3.233,1204 3.03,1205 4.441,1206 3.047,1207 3.209,1208 3.286,1209 3.193,1210 2.952,1211 4.354,1212 2.957,1213 0.111,1214 0.091,1215 0.164,1216 0.1,1217 0.078,1218 4.545,1219 0.104,1220 3.737,1221 0.041,1222 6.738,1223 0.265,1224 4.107,1225 0.07,1226 3.191,1227 4.265,1228 1.701,1229 10.859,1230 2.887,1231 1.929,1232 1.892,1233 2.053,1234 2.077,1235 1.322,1236 2.073,1237 1.866,1238 1.861,1239 1.94,1240 2.009,1241 1.075,1242 1.985,1243 1.769,1244 1.712,1245 1.887,1246 1.957,1247 1.06,1248 1.946,1249 1.702,1250 1.642,1251 1.827,1252 1.878,1253 0.92,1254 1.876,1255 1.403,1256 1.318,1257 1.727,1258 1.665,1259 0.864,1260 1.672,1261 1.353,1262 1.285,1263 1.597,1264 1.616,1265 0.825,1266 1.623,1267 1.224,1268 1.164,1269 1.586,1270 1.554,1271 0.616,1272 1.562,1273 1.161,1274 1.08,1275 1.526,1276 1.457,1277 0.583,1278 1.485,1279 4.419,1281 5.74,1283 7.263,1285 8.873,1287 10.526,1289 6.696,1290 12.776,1295 5.272,1296 5.985,1297 10.528,1300 6.167,1305 43.798,1306 119.29,1307 253.855,1308 321.74,1309 352.469,1310 356.469,1311 356.469,1312 77.639,1313 8.224,1314 95.09,1315 95.09,1316 24,1317 12.789,1318 4.322,1319 3.459,1320 68.001,1321 213,1322 246,1323 0.152,1324 277.538,1325 483.61,1326 668.953,1327 51801,1328 2.9,1329 27.233,1330 0.717,1331 0.613,1332 28.233,1333 23.306,1334 18.337,1335 0.447,1336 0.315,1337 11.959,1338 16.85,1339 11.528,1340 9.593,1341 18.915,1342 12.909,1343 16.025,1344 0.281,1345 0.165,1346 16.691,1347 9.384,1348 14.294,1349 0.188,1350 0.094,1351 15.194,1352 7.181,1353 11.07,1354 0.119,1355 0.051,1356 11.929,1357 4.71,1358 8.846,1359 0.076,1360 0.026,1361 9.392,1362 2.995,1363 0.248,1364 122.717,1365 0.193,1366 35.081,1367 0.395,1368 196,1369 624.505,1370 249.803,1371 652.218,1372 870.33,1373 610,1374 231,1375 592.988,1376 283.953,1377 619.213,1378 905.84,1379 577,1380 5.046}
{0 CHEMBL1835252,1 1.705,2 9.467,3 4.992,4 24.923,5 113.022,6 8.602,7 0.697,8 4.013,9 4.093,10 3.837,11 3.623,12 5.172,13 3.595,14 4.51,15 4.628,16 4.148,17 3.963,18 5.839,19 3.941,20 4.691,21 4.83,22 4.278,23 4.082,24 5.983,25 4.045,26 4.762,27 4.915,28 4.252,29 4.062,30 6.122,31 4.017,32 4.767,33 4.933,34 4.214,35 4.056,36 6.027,37 4.024,38 4.756,39 4.897,40 4.201,41 4.093,42 6.066,43 4.059,44 4.82,45 4.994,46 4.183,47 4.132,48 6.03,49 4.079,50 4.796,51 4.975,52 4.089,53 4.104,54 6.052,55 4.027,56 0.108,57 0.7,58 10.025,59 4.861,60 15.484,61 4.93,62 0.395,63 1.104,64 17.003,65 7.472,66 52.161,67 7.897,68 0.456,69 1.388,70 23.3,71 8.948,72 45.178,73 9.529,74 0.702,75 1.426,76 26.361,77 9.806,78 69.76,79 10.592,80 0.533,81 1.415,82 26.933,83 9.683,84 66.513,85 9.972,86 0.626,87 1.437,88 25.98,89 9.149,90 58.696,91 8.708,92 0.58,93 1.432,94 27.701,95 10.663,96 73.193,97 12.017,98 0.725,99 1.377,100 25.576,101 10.571,102 74.219,103 12.642,104 21,105 47,106 0.283,107 0.547,108 0.639,109 0.758,110 0.79,111 0.804,112 3.441,113 0.96,114 -3.84,115 -3.8,116 -3.61,119 44.9,124 2,142 12,144 4,146 2,147 2,172 7,174 1,175 6,178 1,180 2,183 9,186 3,187 8,190 1,195 3,198 3,199 12,202 4,204 2,212 10,217 4,223 2,224 12,229 3,232 4,236 2,237 4,242 1,245 14,249 4,250 4,258 14,263 8,271 10,275 1544,276 20.391,277 20.391,278 20.391,279 20.391,280 20.391,281 17.49,282 20.813,283 11.974,284 21.188,285 16.206,286 16.206,287 16.206,288 16.206,289 16.206,290 11.665,291 31.562,292 5.567,293 17.369,294 3.91,295 2.317,296 1.758,297 1.043,298 0.847,299 0.766,300 4.136,304 1,305 1,306 609,307 3.606,311 330.415,315 135.144,318 1.333,319 39.653,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 65.5,331 284,332 5.005,333 5.358,334 7.726,335 4.42,336 3.557,337 4.914,338 2.95,339 13.931,340 3.052,341 4.394,342 3.274,343 6.291,344 3.868,345 2.918,346 4.298,347 0.86,348 9.484,349 2.753,350 4.201,351 3.058,352 5.909,353 3.769,354 2.809,355 3.846,356 0.86,357 8.433,358 2.691,359 3.781,360 2.769,361 5.752,362 3.342,363 2.394,364 3.29,365 0.4,366 7.714,367 2.259,368 3.519,369 2.555,370 5.151,371 3.036,372 2.078,373 2.941,375 6.047,376 1.981,377 3.355,378 2.487,379 4.969,380 2.972,381 2.061,382 2.604,384 5.818,385 1.867,386 3.254,387 1.948,388 4.819,389 2.788,390 1.826,391 2.526,393 5.213,394 1.749,395 3.146,396 1.754,397 4.499,398 2.592,399 1.639,400 2.458,402 4.505,403 1.557,404 2.898,405 1.495,406 3.858,407 2.396,408 1.405,409 2.092,411 3.008,412 1.39,413 2.687,414 1.395,415 3.623,416 2.162,417 1.183,418 1.75,420 2.812,421 1.152,422 2.5,423 1.094,424 3.482,425 2,426 1,427 1.5,428 2.137,429 1,430 2.297,431 1,432 3.247,433 1.749,434 0.794,435 1.176,436 2.136,437 0.755,438 1.593,439 0.916,440 2.984,441 1.33,442 0.484,443 0.524,445 0.687,446 0.406,447 1.576,448 0.867,449 2.849,450 1.27,451 0.396,452 0.452,454 0.602,455 0.342,456 1.421,457 0.371,458 2.842,459 1.028,460 0.088,461 0.114,463 0.246,464 0.083,465 14.367,466 0.479,467 0.751,468 0.025,469 46,470 1.533,471 26.5,472 0.883,473 19.5,474 0.65,475 20.384,476 0.679,477 31.233,478 0.637,479 37.861,480 1.262,481 9.211,482 0.307,483 5.295,484 0.177,485 0.116,486 0.058,487 0.278,493 0.678,494 1.225,495 0.785,496 1.154,497 0.699,498 0.887,499 1.048,500 1.088,501 0.792,502 0.888,503 0.73,504 0.813,505 0.989,506 1.187,507 1.037,508 1.106,509 0.891,510 0.947,511 0.925,512 1.174,513 1.089,514 1.096,515 1.277,516 0.989,517 1.416,518 1.082,519 1.041,520 0.9,521 1.491,522 0.814,523 1.505,524 1.01,525 1.358,526 1.015,527 1.366,528 0.959,529 1.018,530 0.902,531 0.889,532 0.932,533 1.389,534 0.926,535 0.661,536 0.866,537 0.866,538 0.927,539 0.709,540 1.01,541 7,542 0.091,543 3.333,544 2.75,545 2.089,546 1.403,547 0.813,548 0.58,549 0.484,550 0.216,551 10487,552 31310,553 2.079,554 38.8,556 18,559 1,564 1.738,565 1.946,566 3.235,567 -0.316,573 83.548,574 1.705,575 3.297,576 3.857,577 4.571,578 4.768,579 4.849,580 2.634,581 3.961,582 4.879,583 3.385,584 1472.3,585 8.563,586 19969.4,588 1,591 275.121,592 1.524,593 4.832,594 0.212,595 0.005,596 0.071,597 0.054,598 0.043,599 0.029,600 0.017,601 0.012,602 0.011,603 0.006,604 0.459,605 0.33,606 1,607 0.812,608 150.795,609 0.03,610 -0.132,611 0.185,612 -0.075,613 -0.164,614 0.011,615 -0.005,616 -0.052,617 0.113,618 0.084,619 0.143,620 0.078,621 0.004,622 -0.082,623 0.018,624 -0.076,625 0.053,626 -0.046,627 0.196,628 -0.095,629 -0.008,630 -0.076,631 0.075,632 -0.076,633 -0.238,634 -0.027,635 0.009,636 0.092,637 -0.135,638 0.106,639 -0.287,640 0.115,641 -0.303,642 -0.016,643 -0.137,644 -0.098,645 -0.034,646 0.076,647 0.028,648 0.018,649 -0.152,650 0.036,651 0.255,652 0.085,653 0.008,654 0.006,655 0.157,656 -0.03,657 4.828,658 6.343,659 0.733,660 25.769,661 1.016,662 1.114,663 2.615,664 6.836,665 0.706,666 3.526,667 3.871,668 4.159,669 4.431,670 4.7,671 4.796,672 4.956,673 5.075,674 5.204,675 5.242,676 6.018,677 0.68,678 421.51,679 3.526,680 5.081,681 5.943,682 6.838,683 7.722,684 8.626,685 9.518,686 10.428,687 11.325,688 12.238,689 6.1,697 1,699 2,703 2,704 12,705 2,709 6,711 23,724 1,729 2,731 49,733 25,734 3,735 33,737 52,738 22,739 20,740 6,741 12,746 4,747 5,761 20,762 2,766 2,769 1,771 2,781 19,782 7,783 1,784 8,785 1,790 3,794 0.75,795 4,802 1,812 4,816 1,840 3,842 1,844 2,848 30,851 1,855 1,856 2,870 8.2,873 2,875 2,877 15.417,878 9.483,879 6.639,880 2.617,881 4.461,882 1.577,883 1.009,884 5.577,885 12.193,886 3.861,887 4.538,888 5.152,889 5.759,890 6.362,891 6.695,892 7.153,893 7.56,894 8.009,895 8.295,896 1,897 51,898 11.372,900 5.177,901 7.892,902 20.753,904 16.938,905 2.392,906 71.75,908 1,909 1,910 211.88,911 164.059,912 51.582,914 66.313,916 6.046,917 158.014,918 278.193,919 51.582,920 21.766,922 119.761,923 77.884,924 59.093,925 3.45,926 211.88,928 211.88,929 209.595,930 66.313,931 6.046,933 211.88,934 66.313,937 22.299,938 153.725,939 39.617,941 211.88,942 117.895,943 164.059,945 6.046,946 211.88,947 22.532,948 135.481,949 18.011,950 99.884,951 211.88,952 117.895,953 164.059,955 0.58,956 0.348,957 0.189,958 0.109,959 23,960 10,961 0.115,962 6,963 1,964 1.091,965 3.964,966 280.465,967 0.091,968 22,969 130.452,973 1,974 20.143,975 8.306,976 4.114,977 1.058,978 117.895,979 20.431,980 8.968,984 1.763,986 18.011,987 493.834,988 46.5,991 -3.911,993 26.686,999 49.76,1000 54.574,1001 0.304,1002 0.587,1003 0.687,1004 0.814,1005 0.849,1006 0.864,1007 5.092,1008 1.639,1009 5.958,1010 5.213,1011 4.554,1012 5.226,1013 3.077,1014 6.834,1015 4.415,1016 6.347,1017 1.405,1018 7.563,1019 4.505,1020 4.29,1021 5.27,1023 8.072,1024 3.988,1025 7.704,1026 1.183,1027 9.287,1028 3.008,1029 6.244,1030 7.598,1031 5.042,1032 11.178,1033 5.918,1034 9.108,1035 1,1036 11.089,1037 2.812,1038 6.825,1039 8.477,1041 13.31,1042 6.281,1043 10.551,1044 0.794,1045 12.947,1046 2.137,1047 8.291,1048 10.317,1049 7.186,1050 16.051,1051 7.714,1052 12.023,1053 0.484,1054 14.846,1055 2.136,1056 9.253,1057 11.575,1059 18.512,1060 8.447,1061 13.518,1062 0.396,1063 16.776,1064 0.687,1065 10.554,1066 13.236,1067 9.348,1068 21.168,1069 9.676,1070 3.557,1071 0.088,1072 18.73,1073 0.602,1074 11.683,1075 14.666,1077 23.742,1078 10.59,1079 2.918,1080 13.931,1081 20.704,1082 0.246,1083 12.937,1084 16.264,1085 11.511,1086 26.379,1087 11.732,1088 2.809,1089 9.484,1090 22.693,1091 4.914,1092 14.137,1093 17.772,1095 28.992,1096 12.735,1097 2.394,1098 8.433,1099 24.694,1100 4.298,1101 15.383,1102 19.349,1103 13.675,1104 31.625,1105 13.841,1106 2.078,1107 7.714,1108 26.705,1109 3.846,1110 16.615,1111 20.894,1113 34.251,1114 14.888,1115 2.061,1116 6.047,1117 28.723,1118 3.29,1119 17.865,1120 22.467,1121 15.838,1122 36.884,1123 15.982,1124 1.826,1125 5.818,1126 30.747,1127 2.941,1128 19.113,1129 24.03,1131 39.515,1132 17.052,1133 10096,1134 17639,1135 21.959,1136 34.574,1137 48.979,1138 51.465,1139 50.561,1140 49.257,1141 49.267,1142 68.968,1143 10.14,1144 145.548,1145 46.074,1146 5.821,1147 7.358,1148 7.528,1149 5.554,1150 5.557,1151 7.914,1152 5.9,1153 22.241,1154 5.052,1155 13.969,1156 1.484,1157 1.56,1158 1.532,1159 1.493,1160 1.493,1161 2.09,1162 0.307,1163 4.411,1164 1.396,1165 4.16,1166 4.158,1167 4.755,1168 4.142,1169 7.715,1170 4.069,1171 3.944,1172 3.953,1173 3.971,1174 3.885,1175 6.999,1176 3.87,1177 3.902,1178 3.921,1179 3.856,1180 3.813,1181 5.053,1182 3.82,1183 3.635,1184 3.63,1185 3.675,1186 3.583,1187 4.912,1188 3.529,1189 3.316,1190 3.355,1191 3.301,1192 3.128,1193 4.713,1194 3.127,1195 3.303,1196 3.35,1197 3.144,1198 3.006,1199 4.58,1200 3.026,1201 3.155,1202 3.221,1203 3,1204 2.919,1205 4.427,1206 2.922,1207 2.949,1208 3.015,1209 2.845,1210 2.799,1211 4.208,1212 2.797,1213 0.152,1214 0.162,1215 0.234,1216 0.134,1217 0.108,1218 5.005,1219 0.149,1220 5.358,1221 0.089,1222 7.726,1223 0.422,1224 4.42,1225 0.092,1226 3.557,1227 4.914,1228 2.95,1229 13.931,1230 3.052,1231 2.043,1232 2.044,1233 2.065,1234 2.139,1235 1.224,1236 2.145,1237 1.914,1238 1.898,1239 1.991,1240 1.987,1241 1.096,1242 2.009,1243 1.866,1244 1.848,1245 1.958,1246 1.977,1247 1.059,1248 1.973,1249 1.543,1250 1.553,1251 1.59,1252 1.654,1253 0.734,1254 1.683,1255 1.227,1256 1.164,1257 1.562,1258 1.558,1259 0.584,1260 1.565,1261 1.2,1262 1.163,1263 1.475,1264 1.476,1265 0.561,1266 1.502,1267 1.11,1268 1.047,1269 1.181,1270 1.324,1271 0.314,1272 1.34,1273 0.927,1274 0.869,1275 1.176,1276 1.117,1277 0.218,1278 1.13,1279 4.205,1281 5.541,1283 7.091,1285 8.736,1287 10.432,1289 3.083,1296 3.077,1297 10.596,1305 33.325,1306 83.548,1307 161.572,1308 188.982,1309 224.001,1310 233.611,1311 237.611,1312 56.833,1313 7.731,1314 90.41,1315 98.79,1316 24,1317 12.754,1318 4.7,1319 3.858,1320 46.539,1321 104,1322 108,1323 0.212,1324 207.526,1325 353.75,1326 498.123,1327 24021,1329 21.14,1330 0.705,1331 0.573,1332 21.39,1333 17.18,1334 14.507,1335 0.44,1336 0.32,1337 9.054,1338 13.138,1339 8.676,1340 7.247,1341 15.295,1342 10.564,1343 13.156,1344 0.28,1345 0.176,1346 14.456,1347 8.274,1348 11.202,1349 0.178,1350 0.098,1351 12.527,1352 6.147,1353 9.288,1354 0.112,1355 0.052,1356 10.513,1357 4.289,1358 7.828,1359 0.072,1360 0.028,1361 8.955,1362 3.078,1363 0.322,1364 99.382,1365 0.213,1366 27.658,1367 0.619,1368 160,1369 523.426,1370 216.171,1371 521.271,1372 712.48,1373 484,1374 190,1375 498.731,1376 254.738,1377 543.631,1378 794.35,1379 507,1380 7.155}
{0 CHEMBL1835256,1 1.713,2 8.704,3 4.758,4 22.636,5 101.79,6 8.987,7 0.767,8 3.869,9 3.946,10 3.74,11 3.537,12 5.062,13 3.501,14 4.335,15 4.43,16 4.064,17 3.891,18 5.747,19 3.856,20 4.602,21 4.757,22 4.175,23 3.98,24 5.935,25 3.93,26 4.607,27 4.774,28 4.106,29 3.89,30 6.019,31 3.847,32 4.504,33 4.645,34 4.065,35 3.87,36 5.879,37 3.847,38 4.519,39 4.652,40 4.078,41 3.936,42 5.913,43 3.904,44 4.59,45 4.734,46 3.995,47 3.973,48 5.925,49 3.926,50 4.557,51 4.722,52 3.742,53 3.911,54 5.924,55 3.82,56 0.112,57 0.598,58 8.034,59 4.005,60 18.986,61 3.789,62 0.219,63 0.951,64 10.843,65 5.989,66 39.529,67 6.338,68 0.411,69 1.292,70 21.095,71 8.292,72 46.412,73 8.672,74 0.586,75 1.254,76 23.518,77 8.52,78 72.333,79 8.478,80 0.421,81 1.128,82 19.076,83 7.22,84 64.626,85 6.218,86 0.389,87 1.161,88 19.847,89 7.561,90 48.51,91 6.793,92 0.459,93 1.154,94 19.738,95 8.147,96 71.042,97 7.917,98 0.458,99 1.061,100 18.557,101 8.51,102 79.718,103 9.807,104 10,105 43,106 0.292,107 0.504,108 0.628,109 0.799,110 0.854,111 0.87,112 3.341,113 0.965,114 -4.16,115 -4.11,116 -3.88,119 47.6,142 13,144 3,146 2,147 2,172 9,174 1,175 2,178 1,180 4,183 9,186 3,187 8,190 1,192 2,195 4,198 2,199 10,202 2,203 1,204 3,212 11,217 4,224 13,227 1,229 3,232 4,237 6,240 1,242 1,245 15,250 2,253 2,255 1,258 18,268 4,271 13,275 1150,276 18.203,277 18.203,278 18.203,279 18.203,280 18.203,281 15.222,282 14.343,283 10.785,284 18.683,285 14.851,286 14.851,287 14.851,288 14.851,289 14.851,290 10.403,291 20.555,292 5.162,293 15.722,294 3.68,295 2.434,296 1.705,297 0.703,298 0.381,299 0.286,300 4.037,304 1,305 1,306 511,307 3.24,311 289.413,315 117.904,318 1.218,319 38.591,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 235,332 5.005,333 5.358,334 7.726,335 4.42,336 3.557,337 4.914,338 2.95,339 13.931,340 3.051,341 4.393,342 3.27,343 6.29,344 3.86,345 2.91,346 4.298,347 0.4,348 9.479,349 2.749,350 4.06,351 2.821,352 5.892,353 3.637,354 2.67,355 3.663,357 8.069,358 2.577,359 3.756,360 2.768,361 5.501,362 3.295,363 2.34,364 3.276,366 7.16,367 2.225,368 3.5,369 2.383,370 5.026,371 2.999,372 2.04,373 2.924,375 5.651,376 1.949,377 3.227,378 1.939,379 4.679,380 2.771,381 1.81,382 2.495,384 5.012,385 1.731,386 3.146,387 1.755,388 4.499,389 2.592,390 1.639,391 2.454,393 4.504,394 1.558,395 2.899,396 1.496,397 3.856,398 2.397,399 1.407,400 2.094,402 3.009,403 1.392,404 2.694,405 1.401,406 3.623,407 2.197,408 1.214,409 1.769,411 2.825,412 1.19,413 2.657,414 1.216,415 3.494,416 2.144,417 1.157,418 1.721,420 2.592,421 1.138,422 2.5,423 1,424 3.466,425 2,426 1,427 1.5,428 2.136,429 1,430 2.295,431 0.868,432 3.247,433 1.746,434 0.79,435 1.174,436 2.121,437 0.752,438 1.422,439 0.371,440 2.949,441 1.028,442 0.089,443 0.114,445 0.241,446 0.083,447 1.022,448 0.137,449 2.831,450 0.549,451 -0.387,452 -0.5,454 -0.878,455 -0.357,456 1,457 -0.057,458 2.585,459 0.467,460 -0.466,461 -0.638,463 -1.257,464 -0.427,465 13.033,466 0.483,467 0.721,468 0.027,469 43.25,470 1.602,471 26,472 0.963,473 17.25,474 0.639,475 16.245,476 0.602,477 27.167,478 0.647,479 33.501,480 1.241,481 8.483,482 0.314,483 4.554,484 0.169,485 0.077,486 0.064,487 0.269,493 0.655,494 1.079,495 0.801,496 1.025,497 0.768,498 0.785,499 0.638,500 1.262,501 0.778,502 1.068,503 0.627,504 0.989,505 0.909,506 1.175,507 1.037,508 1.116,509 0.862,510 0.969,511 1.183,512 1.087,513 1.132,514 1.004,515 1.246,516 0.876,517 1.669,518 1.059,519 1.172,520 0.898,521 1.608,522 0.795,523 1.353,524 1.039,525 1.297,526 1.056,527 1.222,528 0.887,529 1.327,530 0.858,531 1.111,532 0.968,533 1.432,534 1.001,535 0.745,536 0.911,537 1.023,538 1.077,539 0.78,540 1.224,541 6,542 0.045,543 3.333,544 2.313,545 1.818,546 1.167,547 0.772,548 0.47,549 0.242,550 0.126,551 8056,552 24353,553 2.11,554 35.7,556 13,559 2,564 1.71,565 1.988,566 3.111,567 0.267,573 71.926,574 1.713,575 2.959,576 3.687,577 4.69,578 5.011,579 5.107,580 2.485,581 4.533,582 4.726,583 3.259,584 1143.89,585 8.256,586 14332.7,588 1,591 226.477,592 1.481,593 4.685,594 0.2,595 0.005,596 0.078,597 0.051,598 0.043,599 0.028,600 0.018,601 0.011,602 0.007,603 0.006,604 0.448,605 0.33,606 1,607 0.528,608 130.577,609 0.007,610 -0.029,611 0.168,612 0.012,613 -0.191,614 0.065,615 0.148,616 -0.243,617 0.051,618 -0.143,619 0.144,620 -0.146,621 0.068,622 -0.096,623 0.044,624 -0.093,625 0.038,626 -0.048,627 0.07,628 -0.002,629 0.021,630 0.036,631 0.032,632 0.056,633 -0.352,634 0.036,635 -0.1,636 0.104,637 -0.233,638 0.071,639 -0.225,640 0.065,641 -0.211,642 -0.027,643 -0.07,644 -0.017,645 -0.209,646 0.12,647 -0.216,648 -0.033,649 -0.207,650 -0.093,651 0.123,652 -0.04,653 -0.215,654 -0.168,655 0.141,656 -0.23,657 4.807,658 6.164,659 0.815,660 21.638,661 1.016,662 1.108,663 2.932,664 8.596,665 0.728,666 3.434,667 3.784,668 4.06,669 4.331,670 4.595,671 4.682,672 4.836,673 4.963,674 5.05,675 5.043,676 5.546,677 0.704,678 377.45,679 3.434,680 4.99,681 5.849,682 6.744,683 7.625,684 8.529,685 9.42,686 10.33,687 11.227,688 12.14,689 7.1,697 1,699 2,703 2,704 13,705 2,709 5,711 23,724 1,728 1,731 42,733 25,734 3,735 30,737 45,738 20,739 20,740 5,741 13,746 4,747 5,761 20,766 2,769 1,771 2,781 15,782 6,783 2,784 7,785 1,790 3,794 0.75,795 3,802 1,812 4,816 1,840 3,842 1,848 27,851 1,853 1,855 1,870 7.1,872 1,873 2,877 13.583,878 7.433,879 5.806,880 2.306,881 4.377,882 1.585,883 1.02,884 4.423,885 11.863,886 3.795,887 4.483,888 5.089,889 5.693,890 6.3,891 6.619,892 7.086,893 7.508,894 7.938,895 8.189,896 0.833,897 45,898 10.272,900 4.814,901 7.985,902 18.61,904 15.574,905 2.485,906 67.083,909 1,910 153.024,911 141.283,912 51.582,914 86.996,916 6.046,917 135.237,918 240.021,919 51.582,922 129.237,923 120.567,924 26.607,925 3.45,926 153.024,928 153.024,929 186.819,930 86.996,931 6.046,933 153.024,934 86.996,937 22.299,938 130.949,939 39.617,941 153.024,942 138.578,943 141.283,945 6.046,946 153.024,947 12.046,948 123.191,949 18.011,950 120.567,951 153.024,952 138.578,953 141.283,955 0.587,956 0.341,957 0.185,958 0.104,959 22,960 9,961 0.089,962 4,963 1,964 1.091,965 3.771,966 243.373,967 0.091,968 22,969 122.382,973 1,974 17.317,975 6.897,976 3.442,977 1.042,978 138.578,979 21.513,980 8.824,984 0.623,986 60.694,987 432.885,988 43.5,991 -3.89,993 26.327,999 42.665,1000 46.534,1001 0.318,1002 0.549,1003 0.684,1004 0.87,1005 0.929,1006 0.947,1007 5.022,1008 1.407,1009 5.866,1010 4.504,1011 4.466,1012 5.17,1013 2.93,1014 6.742,1015 4.343,1016 6.282,1017 1.214,1018 7.47,1019 3.009,1020 4.205,1021 5.198,1023 8.003,1024 3.894,1025 7.638,1026 1.157,1027 9.199,1028 2.825,1029 6.155,1030 7.547,1031 5.027,1032 11.116,1033 5.84,1034 9.043,1035 1,1036 11.01,1037 2.592,1038 6.746,1039 8.42,1041 13.276,1042 6.188,1043 10.487,1044 0.79,1045 12.878,1046 2.136,1047 8.217,1048 10.274,1049 7.185,1050 16.022,1051 7.637,1052 11.962,1053 0.089,1054 14.787,1055 2.121,1056 9.19,1057 11.532,1059 18.497,1060 8.363,1061 13.462,1062 -0.387,1063 16.728,1064 0.241,1065 10.498,1066 13.202,1067 9.348,1068 21.157,1069 9.601,1070 3.557,1071 -0.466,1072 18.692,1073 -0.878,1074 11.635,1075 14.635,1077 23.736,1078 10.512,1079 2.91,1080 13.931,1081 20.673,1082 -1.257,1083 12.896,1084 16.237,1085 11.511,1086 26.375,1087 11.66,1088 2.67,1089 9.479,1090 22.669,1091 4.914,1092 14.102,1093 17.749,1095 28.989,1096 12.661,1097 2.34,1098 8.069,1099 24.676,1100 4.298,1101 15.354,1102 19.33,1103 13.675,1104 31.624,1105 13.772,1106 2.04,1107 7.16,1108 26.691,1109 3.663,1110 16.59,1111 20.877,1113 34.25,1114 14.82,1115 1.81,1116 5.651,1117 28.712,1118 3.276,1119 17.844,1120 22.453,1121 15.838,1122 36.884,1123 15.918,1124 1.639,1125 5.012,1126 30.738,1127 2.924,1128 19.095,1129 24.018,1131 39.515,1132 16.99,1133 7661,1134 13494,1135 20.167,1136 30.597,1137 45.462,1138 46.743,1139 45.963,1140 45.389,1141 45.246,1142 64.79,1143 6.7,1144 133.461,1145 42.789,1146 5.815,1147 7.358,1148 7.528,1149 5.553,1150 5.557,1151 7.914,1152 5.9,1153 22.241,1154 5.051,1155 10.95,1156 1.515,1157 1.558,1158 1.532,1159 1.513,1160 1.508,1161 2.16,1162 0.223,1163 4.449,1164 1.426,1165 4.159,1166 4.157,1167 4.755,1168 4.142,1169 7.715,1170 4.068,1171 3.942,1172 3.953,1173 3.968,1174 3.884,1175 6.999,1176 3.869,1177 3.884,1178 3.91,1179 3.826,1180 3.808,1181 6.471,1182 3.808,1183 3.634,1184 3.628,1185 3.675,1186 3.583,1187 5.044,1188 3.529,1189 3.287,1190 3.313,1191 3.284,1192 3.12,1193 4.714,1194 3.116,1195 2.989,1196 3.043,1197 2.908,1198 2.817,1199 4.655,1200 2.825,1201 2.932,1202 2.982,1203 2.827,1204 2.771,1205 4.36,1206 2.774,1207 2.896,1208 2.959,1209 2.763,1210 2.745,1211 4.104,1212 2.743,1213 0.167,1214 0.179,1215 0.258,1216 0.147,1217 0.119,1218 5.005,1219 0.164,1220 5.358,1221 0.098,1222 7.726,1223 0.464,1224 4.42,1225 0.102,1226 3.557,1227 4.914,1228 2.95,1229 13.931,1230 3.051,1231 2.043,1232 2.044,1233 2.066,1234 2.139,1235 1.224,1236 2.145,1237 1.914,1238 1.898,1239 1.991,1240 1.982,1241 1.095,1242 2.009,1243 1.867,1244 1.843,1245 1.976,1246 1.967,1247 1.045,1248 1.971,1249 1.542,1250 1.553,1251 1.501,1252 1.646,1253 0.733,1254 1.68,1255 1.161,1256 1.143,1257 1.183,1258 1.365,1259 0.324,1260 1.371,1261 0.937,1262 0.883,1263 1.181,1264 1.16,1265 0.218,1266 1.145,1267 0.899,1268 0.846,1269 1.15,1270 1.119,1271 0.206,1272 1.129,1273 0.886,1274 0.833,1275 1.119,1276 1.082,1277 0.194,1278 1.107,1279 4.111,1281 5.451,1283 7.002,1285 8.648,1287 10.342,1294 9.676,1296 2.969,1305 29.557,1306 71.926,1307 124.266,1308 154.862,1309 196.968,1310 210.477,1311 214.477,1312 51.443,1313 7.486,1314 92.18,1315 100.56,1316 24,1317 12.657,1318 4.7,1319 3.858,1320 39.754,1321 86,1322 88,1323 0.22,1324 184.345,1325 310.36,1326 441.561,1327 17592,1329 18.855,1330 0.698,1331 0.551,1332 19.105,1333 14.888,1334 13.037,1335 0.435,1336 0.322,1337 8.211,1338 11.911,1339 7.932,1340 6.582,1341 13.826,1342 9.652,1343 12.172,1344 0.283,1345 0.18,1346 13.473,1347 7.723,1348 10.092,1349 0.177,1350 0.099,1351 11.417,1352 5.642,1353 8.5,1354 0.113,1355 0.053,1356 9.725,1357 3.993,1358 6.975,1359 0.071,1360 0.029,1361 8.101,1362 2.833,1363 0.332,1364 88.91,1365 0.223,1366 25.298,1367 0.651,1368 146,1369 452.104,1370 198.518,1371 464.886,1372 635.41,1373 428,1374 173,1375 446.671,1376 234.084,1377 490.454,1378 718.84,1379 461,1380 6}
{0 CHEMBL1835266,1 1.687,2 9.286,3 5.244,4 27.498,5 106.831,6 8.7,7 0.742,8 3.927,9 4.01,10 3.767,11 3.587,12 5.1,13 3.546,14 4.406,15 4.517,16 4.099,17 3.947,18 5.778,19 3.907,20 4.66,21 4.81,22 4.213,23 4.052,24 5.978,25 3.996,26 4.713,27 4.895,28 4.132,29 3.973,30 6.069,31 3.912,32 4.591,33 4.756,34 4.111,35 3.931,36 5.898,37 3.89,38 4.554,39 4.677,40 4.144,41 3.994,42 5.957,43 3.957,44 4.691,45 4.833,46 4.047,47 4.031,48 6.049,49 3.987,50 4.621,51 4.787,52 3.824,53 3.974,54 5.974,55 3.888,56 0.105,57 0.64,58 9.176,59 4.372,60 18.809,61 4.397,62 0.216,63 1.025,64 13.484,65 6.722,66 42.966,67 7.539,68 0.38,69 1.362,70 22.376,71 8.8,72 46.256,73 9.552,74 0.585,75 1.375,76 27.086,77 9.664,78 75.803,79 10.42,80 0.414,81 1.22,82 22.123,83 8.129,84 68.584,85 7.966,86 0.336,87 1.222,88 23.819,89 8.481,90 43.351,91 7.73,92 0.555,93 1.25,94 23.167,95 8.987,96 96.618,97 8.701,98 0.449,99 1.155,100 20.147,101 8.92,102 82.378,103 10.497,104 17,105 45,106 0.284,107 0.562,108 0.69,109 0.829,110 0.847,111 0.862,112 3.376,113 0.974,114 -4.38,115 -4.32,116 -4.07,119 46.7,120 1,142 12,143 1,144 3,146 2,147 2,172 10,174 1,175 2,178 1,180 4,183 11,186 3,187 8,190 1,192 2,195 6,198 2,199 10,202 2,203 1,204 3,212 11,217 4,224 15,227 1,229 3,232 4,237 7,240 1,242 1,245 15,250 3,253 2,255 2,258 18,268 4,271 14,275 1296,276 18.651,277 18.651,278 18.651,279 18.651,280 18.651,281 15.644,282 16.769,283 10.871,284 19.131,285 15.317,286 15.317,287 15.317,288 15.317,289 15.317,290 10.808,291 22.026,292 5.2,293 16.188,294 3.805,295 2.151,296 1.39,297 0.567,298 0.461,299 0.372,300 4.069,304 1,305 1,306 563,307 3.317,311 304.484,315 124.759,318 1.378,319 39.191,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60.5,331 260,332 5.005,333 5.358,334 7.726,335 4.421,336 3.558,337 4.915,338 2.95,339 13.932,340 3.054,341 4.394,342 3.274,343 6.291,344 3.864,345 2.912,346 4.299,347 0.4,348 9.481,349 2.756,350 4.061,351 2.825,352 5.895,353 3.638,354 2.67,355 3.664,357 8.076,358 2.578,359 3.877,360 2.776,361 5.505,362 3.433,363 2.448,364 3.457,366 7.187,367 2.407,368 3.654,369 2.518,370 5.132,371 3.208,372 2.253,373 3.087,375 6.235,376 2.135,377 3.263,378 2.362,379 4.906,380 2.843,381 1.894,382 2.548,384 5.407,385 1.788,386 3.17,387 1.9,388 4.667,389 2.657,390 1.711,391 2.461,393 4.943,394 1.613,395 3.013,396 1.562,397 4.447,398 2.467,399 1.485,400 2.216,402 4.205,403 1.455,404 2.889,405 1.409,406 3.756,407 2.377,408 1.389,409 2.068,411 3.009,412 1.371,413 2.663,414 1.231,415 3.62,416 2.177,417 1.186,418 1.738,420 2.613,421 1.174,422 2.5,423 1.055,424 3.477,425 2,426 1,427 1.5,428 2.275,429 1,430 2.299,431 1,432 3.414,433 1.76,434 0.809,435 1.186,436 2.198,437 0.766,438 1.422,439 0.489,440 2.974,441 1.03,442 0.091,443 0.117,445 0.246,446 0.085,447 1.12,448 0.202,449 2.887,450 0.755,451 -0.221,452 -0.278,454 -0.488,455 -0.212,456 1.022,457 -0.05,458 2.632,459 0.548,460 -0.389,461 -0.502,463 -0.881,464 -0.36,465 13.533,466 0.483,467 0.827,468 0.03,469 43.75,470 1.563,471 26,472 0.929,473 17.75,474 0.634,475 18.307,476 0.654,477 28.467,478 0.633,479 34.55,480 1.234,481 8.523,482 0.304,483 4.907,484 0.175,485 0.111,486 0.062,487 0.296,493 0.65,494 1.095,495 0.808,496 1.038,497 0.769,498 0.813,499 0.62,500 1.203,501 0.737,502 1.011,503 0.603,504 0.923,505 0.905,506 1.219,507 1.057,508 1.159,509 0.864,510 1.026,511 1.109,512 1.086,513 1.093,514 1.011,515 1.177,516 0.908,517 1.577,518 0.992,519 1.037,520 0.81,521 1.55,522 0.739,523 1.352,524 1.145,525 1.547,526 1.289,527 1.179,528 0.922,529 1.684,530 0.855,531 1.168,532 0.925,533 1.906,534 0.979,535 0.786,536 0.969,537 1.01,538 1.066,539 0.788,540 1.186,541 7,542 0.095,543 3.778,544 2.375,545 1.991,546 1.333,547 0.852,548 0.557,549 0.295,550 0.222,551 8877,552 25784,553 2.085,554 37.8,555 3,556 12,559 2,564 1.719,565 1.942,566 3.179,567 0.247,573 75.898,574 1.687,575 3.341,576 4.102,577 4.925,578 5.031,579 5.12,580 2.66,581 4.379,582 4.777,583 3.338,584 1261.82,585 8.357,586 16179.9,591 247.133,592 1.572,593 4.728,594 0.226,595 0.007,596 0.084,597 0.051,598 0.046,599 0.031,600 0.018,601 0.013,602 0.008,603 0.01,604 0.494,605 0.17,606 1,607 0.573,608 137.421,609 0.015,610 -0.029,611 0.169,612 0.014,613 -0.189,614 0.062,615 0.169,616 -0.176,617 0.119,618 -0.064,619 0.169,620 -0.042,621 0.07,622 -0.137,623 -0.002,624 -0.144,625 0.032,626 -0.118,627 0.101,628 -0.024,629 0.042,630 0.019,631 0.05,632 0.04,633 -0.277,634 0.086,635 0.056,636 0.199,637 -0.201,638 0.167,639 -0.188,640 -0.001,641 -0.27,642 -0.137,643 0.011,644 -0.039,645 -0.311,646 0.122,647 -0.257,648 0.009,649 -0.325,650 -0.089,651 0.103,652 -0.058,653 -0.216,654 -0.168,655 0.137,656 -0.221,657 4.823,658 6.275,659 0.786,660 23.857,661 1.012,662 1.11,663 3.155,664 9.954,665 0.719,666 3.466,667 3.829,668 4.094,669 4.357,670 4.635,671 4.754,672 4.868,673 5.004,674 5.1,675 5.13,676 5.763,677 0.691,678 391.48,679 3.466,680 5.03,681 5.889,682 6.786,683 7.666,684 8.571,685 9.462,686 10.372,687 11.269,688 12.183,689 6.7,697 1,699 2,703 2,704 12,705 2,709 6,711 23,724 1,728 1,731 45,733 25,734 3,735 31,737 48,738 21,739 20,740 6,741 12,746 4,747 5,752 1,761 20,762 1,766 2,769 1,771 2,781 17,782 6,783 2,784 7,785 1,790 3,794 0.75,795 3,802 1,812 4,816 1,840 3,842 1,844 1,848 28,851 1,853 1,855 1,870 6.7,872 1,873 2,877 14.417,878 8.35,879 5.972,880 2.5,881 4.408,882 1.582,883 1.013,884 4.656,885 11.983,886 3.818,887 4.516,888 5.116,889 5.716,890 6.331,891 6.683,892 7.103,893 7.53,894 7.966,895 8.244,896 1,897 47,898 10.656,900 4.972,901 7.955,902 19.385,904 16.217,905 2.455,906 68.75,910 176.567,911 143.817,912 51.582,914 86.996,916 6.046,917 137.771,918 263.563,919 51.582,920 8.825,922 119.761,923 120.567,924 29.792,925 3.45,926 176.567,928 176.567,929 189.353,930 86.996,931 6.046,933 176.567,934 86.996,937 31.124,938 124.658,939 39.617,941 176.567,942 138.578,943 143.817,945 6.046,946 176.567,947 15.231,948 122.54,949 18.011,950 120.567,951 176.567,952 138.578,953 143.817,955 0.593,956 0.34,957 0.179,958 0.103,959 23,960 10,961 0.083,962 4,963 1,964 1.091,965 3.832,966 255.628,967 0.091,968 22,969 128.606,973 1,974 18.268,975 7.137,976 3.674,977 1.044,978 138.578,979 20.032,980 8.864,984 1.596,986 60.694,987 458.962,988 44.5,991 -3.907,993 26.55,999 45.549,1000 49.95,1001 0.307,1002 0.608,1003 0.747,1004 0.897,1005 0.916,1006 0.932,1007 5.055,1008 1.485,1009 5.916,1010 4.943,1011 4.511,1012 5.204,1013 2.93,1014 6.79,1015 4.393,1016 6.322,1017 1.389,1018 7.522,1019 4.205,1020 4.29,1021 5.27,1023 8.038,1024 4.01,1025 7.683,1026 1.186,1027 9.248,1028 3.009,1029 6.205,1030 7.584,1031 5.027,1032 11.139,1033 5.908,1034 9.089,1035 1,1036 11.053,1037 2.613,1038 6.804,1039 8.468,1041 13.286,1042 6.286,1043 10.532,1044 0.809,1045 12.913,1046 2.275,1047 8.257,1048 10.304,1049 7.185,1050 16.03,1051 7.706,1052 12.004,1053 0.091,1054 14.814,1055 2.198,1056 9.225,1057 11.562,1059 18.5,1060 8.441,1061 13.5,1062 -0.221,1063 16.748,1064 0.246,1065 10.524,1066 13.224,1067 9.348,1068 21.159,1069 9.663,1070 3.558,1071 -0.389,1072 18.706,1073 -0.488,1074 11.657,1075 14.654,1077 23.737,1078 10.574,1079 2.912,1080 13.932,1081 20.684,1082 -0.881,1083 12.912,1084 16.252,1085 11.511,1086 26.376,1087 11.713,1088 2.67,1089 9.481,1090 22.677,1091 4.915,1092 14.115,1093 17.761,1095 28.99,1096 12.712,1097 2.448,1098 8.076,1099 24.681,1100 4.299,1101 15.364,1102 19.34,1103 13.675,1104 31.624,1105 13.817,1106 2.253,1107 7.187,1108 26.695,1109 3.664,1110 16.599,1111 20.886,1113 34.251,1114 14.861,1115 1.894,1116 6.235,1117 28.715,1118 3.457,1119 17.852,1120 22.461,1121 15.838,1122 36.884,1123 15.956,1124 1.711,1125 5.407,1126 30.74,1127 3.087,1128 19.102,1129 24.025,1131 39.516,1132 17.025,1133 8482,1134 14645,1135 20.572,1136 32.358,1137 47.126,1138 48.607,1139 48.135,1140 46.924,1141 46.814,1142 66.515,1143 6.7,1144 139.613,1145 44.364,1146 5.817,1147 7.358,1148 7.41,1149 5.558,1150 5.558,1151 7.915,1152 5.9,1153 22.243,1154 5.054,1155 13.267,1156 1.52,1157 1.568,1158 1.553,1159 1.514,1160 1.51,1161 2.146,1162 0.216,1163 4.504,1164 1.431,1165 4.162,1166 4.159,1167 4.755,1168 4.145,1169 7.715,1170 4.073,1171 3.951,1172 3.966,1173 3.968,1174 3.89,1175 6.999,1176 3.879,1177 3.884,1178 3.91,1179 3.826,1180 3.808,1181 6.471,1182 3.808,1183 3.674,1184 3.663,1185 3.726,1186 3.63,1187 5.044,1188 3.57,1189 3.308,1190 3.351,1191 3.288,1192 3.146,1193 4.702,1194 3.147,1195 3.041,1196 3.116,1197 2.913,1198 2.861,1199 4.654,1200 2.85,1201 2.974,1202 3.022,1203 2.845,1204 2.801,1205 4.36,1206 2.792,1207 2.929,1208 2.979,1209 2.821,1210 2.77,1211 4.105,1212 2.766,1213 0.161,1214 0.173,1215 0.249,1216 0.143,1217 0.115,1218 5.005,1219 0.159,1220 5.358,1221 0.095,1222 7.726,1223 0.449,1224 4.421,1225 0.099,1226 3.558,1227 4.915,1228 2.95,1229 13.932,1230 3.054,1231 2.047,1232 2.048,1233 2.067,1234 2.14,1235 1.243,1236 2.147,1237 1.929,1238 1.909,1239 2.02,1240 2,1241 1.115,1242 2.023,1243 1.867,1244 1.843,1245 1.976,1246 1.968,1247 1.045,1248 1.971,1249 1.577,1250 1.591,1251 1.554,1252 1.675,1253 0.829,1254 1.719,1255 1.236,1256 1.189,1257 1.466,1258 1.438,1259 0.528,1260 1.455,1261 1.004,1262 0.947,1263 1.181,1264 1.249,1265 0.256,1266 1.274,1267 0.912,1268 0.866,1269 1.177,1270 1.149,1271 0.218,1272 1.136,1273 0.898,1274 0.845,1275 1.149,1276 1.107,1277 0.201,1278 1.123,1279 4.143,1281 5.493,1283 7.047,1285 8.692,1287 10.385,1289 1.89,1294 9.702,1296 2.98,1305 31.083,1306 75.898,1307 150.339,1308 184.604,1309 221.624,1310 226.379,1311 230.379,1312 55.173,1313 7.575,1314 92.18,1315 100.56,1316 24,1317 12.699,1318 4.7,1319 3.858,1320 41.988,1321 92,1322 108,1323 0.216,1324 193.937,1325 327.66,1326 464.967,1327 19683,1329 19.725,1330 0.704,1331 0.565,1332 19.975,1333 15.811,1334 13.431,1335 0.433,1336 0.325,1337 8.621,1338 12.305,1339 8.269,1340 6.888,1341 14.219,1342 10.063,1343 12.794,1344 0.284,1345 0.183,1346 14.094,1347 8.223,1348 10.503,1349 0.178,1350 0.1,1351 11.828,1352 5.92,1353 8.657,1354 0.112,1355 0.053,1356 9.863,1357 4.089,1358 7.142,1359 0.07,1360 0.03,1361 8.29,1362 3.048,1363 0.327,1364 91.273,1365 0.22,1366 26.138,1367 0.634,1368 152,1369 460.104,1370 204.518,1371 473.743,1372 647.96,1373 436,1374 180,1375 456.671,1376 241.084,1377 502.174,1378 735.02,1379 471,1380 6}
{0 CHEMBL1835357,1 1.731,2 10.034,3 4.741,4 22.48,5 108.253,6 8.858,7 0.719,8 3.959,9 4.035,10 3.805,11 3.584,12 5.156,13 3.558,14 4.437,15 4.54,16 4.128,17 3.933,18 5.823,19 3.911,20 4.664,21 4.804,22 4.249,23 4.041,24 6.003,25 4.005,26 4.708,27 4.868,28 4.172,29 3.99,30 6.095,31 3.945,32 4.651,33 4.816,34 4.148,35 3.97,36 5.94,37 3.93,38 4.628,39 4.772,40 4.198,41 4.007,42 6.04,43 3.972,44 4.664,45 4.791,46 4.117,47 4.044,48 6.034,49 4.005,50 4.692,51 4.845,52 3.9,53 3.988,54 6.101,55 3.92,56 0.135,57 0.659,58 9.006,59 4.501,60 19.538,61 4.306,62 0.335,63 1.041,64 13.811,65 6.837,66 47.156,67 7.079,68 0.484,69 1.351,70 22.036,71 8.664,72 49.084,73 8.913,74 0.663,75 1.356,76 25.209,77 9.282,78 74.208,79 9.438,80 0.513,81 1.282,82 23.307,83 8.644,84 72.582,85 8.569,86 0.603,87 1.273,88 23.692,89 8.758,90 61.49,91 8.626,92 0.548,93 1.247,94 24.238,95 9.347,96 75.214,97 8.867,98 0.701,99 1.188,100 21.804,101 9.476,102 110.731,103 10.45,104 18,105 46,106 0.29,107 0.566,108 0.688,109 0.823,110 0.85,111 0.865,112 3.409,113 0.954,114 -3.63,115 -3.6,116 -3.43,119 45.7,124 1,142 12,144 4,146 2,147 2,172 7,174 1,175 4,178 1,180 4,183 7,186 3,187 10,190 1,192 2,195 4,198 2,199 10,202 2,203 1,204 3,212 9,217 4,223 2,224 12,227 1,229 3,232 4,236 1,237 5,240 1,245 15,249 1,250 2,253 3,255 1,258 17,263 1,268 4,271 9,275 1457,276 19.521,277 19.521,278 19.521,279 19.521,280 19.521,281 16.567,282 18.657,283 11.369,284 20.18,285 15.745,286 15.745,287 15.745,288 15.745,289 15.745,290 11.231,291 25.206,292 5.339,293 16.807,294 3.793,295 2.148,296 1.419,297 0.614,298 0.451,299 0.364,300 4.103,304 1,305 1,306 629,307 3.464,311 320.276,315 131.824,318 1.489,319 42.538,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 63.5,331 291,332 5.006,333 5.358,334 7.726,335 4.421,336 3.558,337 4.915,338 2.95,339 13.932,340 3.053,341 4.394,342 3.276,343 6.291,344 3.864,345 2.913,346 4.299,347 0.86,348 9.482,349 2.755,350 4.061,351 2.851,352 5.896,353 3.638,354 2.671,355 3.664,356 0.4,357 8.08,358 2.578,359 3.914,360 2.802,361 5.51,362 3.459,363 2.509,364 3.485,366 7.235,367 2.373,368 3.668,369 2.722,370 5.314,371 3.218,372 2.277,373 3.1,375 6.773,376 2.129,377 3.273,378 2.375,379 4.98,380 2.85,381 1.907,382 2.558,384 5.503,385 1.788,386 3.175,387 1.907,388 4.672,389 2.664,390 1.722,391 2.462,393 4.965,394 1.615,395 3.04,396 1.586,397 4.464,398 2.482,399 1.512,400 2.251,402 4.283,403 1.461,404 2.891,405 1.415,406 3.768,407 2.381,408 1.394,409 2.073,411 3.009,412 1.373,413 2.663,414 1.304,415 3.62,416 2.178,417 1.187,418 1.738,420 2.614,421 1.174,422 2.5,423 1.2,424 3.478,425 2,426 1,427 1.5,428 2.275,429 1,430 2.3,431 1,432 3.414,433 1.765,434 0.819,435 1.189,436 2.208,437 0.77,438 1.653,439 0.866,440 3.017,441 1.348,442 0.483,443 0.546,445 0.738,446 0.413,447 1.421,448 0.418,449 2.917,450 1.028,451 0.088,452 0.114,454 0.239,455 0.083,456 1.022,457 0.171,458 2.716,459 0.55,460 -0.387,461 -0.499,463 -0.875,464 -0.356,465 13.867,466 0.478,467 0.789,468 0.027,469 45.25,470 1.56,471 26.5,472 0.914,473 18.75,474 0.647,475 18.651,476 0.643,477 29.933,478 0.651,479 36.639,480 1.263,481 8.967,482 0.309,483 5.001,484 0.172,485 0.108,486 0.06,487 0.288,493 0.715,494 1.147,495 0.796,496 1.082,497 0.778,498 0.829,499 0.851,500 1.175,501 0.773,502 0.974,503 0.662,504 0.886,505 0.974,506 1.19,507 1.051,508 1.117,509 0.894,510 0.969,511 1.113,512 1.13,513 1.16,514 1.053,515 1.232,516 0.966,517 1.279,518 1.051,519 1.022,520 0.907,521 1.478,522 0.833,523 0.993,524 1.005,525 1.185,526 1.028,527 1.033,528 0.83,529 1.247,530 0.953,531 1.334,532 1.171,533 1.534,534 1.027,535 0.978,536 0.91,537 1.048,538 1.026,539 1.251,540 1.175,541 7,542 0.107,543 3.778,544 2.375,545 2.031,546 1.396,547 0.934,548 0.557,549 0.295,550 0.232,551 9822,552 30503,553 2.082,554 37,556 15,559 2,564 1.728,565 1.944,566 3.264,567 0.262,573 79.603,574 1.731,575 3.376,576 4.104,577 4.909,578 5.072,579 5.159,580 2.748,581 4.651,582 4.825,583 3.428,584 1391.64,585 8.453,586 18292.7,588 1,591 254.084,592 1.548,593 4.781,594 0.219,595 0.007,596 0.082,597 0.048,598 0.045,599 0.032,600 0.019,601 0.012,602 0.008,603 0.009,604 0.481,605 0.33,606 1,607 0.729,608 144.501,609 -0.011,610 -0.068,611 0.164,612 -0.015,613 -0.188,614 0.046,615 0.045,616 -0.139,617 0.09,618 -0.015,619 0.132,620 -0.012,621 -0.005,622 -0.098,623 0.003,624 -0.093,625 0.023,626 -0.065,627 0.004,628 -0.055,629 -0.056,630 -0.027,631 0.005,632 -0.042,633 -0.214,634 0.014,635 0.042,636 0.1,637 -0.208,638 0.099,639 0.051,640 0.098,641 -0.033,642 0.053,643 0.101,644 0.088,645 -0.158,646 0.07,647 -0.281,648 -0.119,649 -0.174,650 -0.11,651 0.071,652 -0.015,653 -0.233,654 -0.12,655 0.013,656 -0.214,657 4.887,658 6.322,659 0.759,660 26.509,661 1.019,662 1.112,663 2.396,664 5.74,665 0.713,666 3.497,667 3.85,668 4.127,669 4.382,670 4.654,671 4.787,672 4.927,673 5.03,674 5.136,675 5.176,676 6.026,677 0.691,678 407.48,679 3.497,680 5.056,681 5.916,682 6.81,683 7.691,684 8.594,685 9.485,686 10.394,687 11.291,688 12.204,689 6.5,697 1,699 2,703 2,704 12,705 2,709 6,711 23,724 1,728 1,729 1,731 46,733 25,734 3,735 32,737 49,738 21,739 20,740 6,741 12,746 4,747 5,761 20,762 1,766 2,769 1,771 2,781 17,782 7,783 2,784 8,785 1,790 3,794 0.75,795 4,802 1,812 4,816 1,840 3,842 1,844 1,848 29,851 1,853 1,855 1,856 1,870 8.7,872 1,873 2,875 1,877 14.917,878 8.517,879 6.306,880 2.458,881 4.433,882 1.579,883 1.001,884 5.096,885 12.091,886 3.839,887 4.527,888 5.134,889 5.731,890 6.342,891 6.703,892 7.142,893 7.541,894 7.98,895 8.264,896 0.857,897 49,898 11.026,900 5.122,901 7.991,902 19.919,904 16.462,905 2.491,906 72.25,909 1,910 176.567,911 147.933,912 51.582,914 97.996,916 6.046,917 141.887,918 274.563,919 51.582,920 10.883,922 119.761,923 120.567,924 42.85,925 3.45,926 176.567,928 176.567,929 193.469,930 97.996,931 6.046,933 176.567,934 97.996,937 22.299,938 137.599,939 39.617,941 176.567,942 149.578,943 147.933,945 6.046,946 176.567,947 17.289,948 124.598,949 18.011,950 131.567,951 176.567,952 149.578,953 147.933,955 0.588,956 0.345,957 0.18,958 0.101,959 23,960 10,961 0.102,962 5,963 1,964 1.091,965 3.921,966 266.694,967 0.091,968 22,969 134.881,973 1,974 19.186,975 7.703,976 3.88,977 1.005,978 149.578,979 19.417,980 8.844,984 1.021,986 60.694,987 474.078,988 45.5,991 -3.97,993 26.645,999 46.876,1000 51.159,1001 0.313,1002 0.611,1003 0.743,1004 0.889,1005 0.918,1006 0.934,1007 5.074,1008 1.512,1009 5.938,1010 4.965,1011 4.533,1012 5.215,1013 3.006,1014 6.81,1015 4.399,1016 6.334,1017 1.394,1018 7.543,1019 4.283,1020 4.29,1021 5.27,1023 8.055,1024 3.988,1025 7.694,1026 1.187,1027 9.267,1028 3.009,1029 6.225,1030 7.591,1031 5.034,1032 11.153,1033 5.904,1034 9.099,1035 1,1036 11.07,1037 2.614,1038 6.815,1039 8.472,1041 13.295,1042 6.271,1043 10.541,1044 0.819,1045 12.929,1046 2.275,1047 8.273,1048 10.31,1049 7.185,1050 16.035,1051 7.698,1052 12.013,1053 0.483,1054 14.828,1055 2.208,1056 9.236,1057 11.566,1059 18.503,1060 8.428,1061 13.508,1062 0.088,1063 16.76,1064 0.738,1065 10.535,1066 13.227,1067 9.348,1068 21.161,1069 9.654,1070 3.558,1071 -0.387,1072 18.716,1073 0.239,1074 11.665,1075 14.657,1077 23.738,1078 10.563,1079 2.913,1080 13.932,1081 20.692,1082 -0.875,1083 12.919,1084 16.254,1085 11.511,1086 26.376,1087 11.703,1088 2.671,1089 9.482,1090 22.683,1091 4.915,1092 14.121,1093 17.763,1095 28.99,1096 12.701,1097 2.509,1098 8.08,1099 24.686,1100 4.299,1101 15.369,1102 19.341,1103 13.675,1104 31.624,1105 13.808,1106 2.277,1107 7.235,1108 26.698,1109 3.664,1110 16.603,1111 20.887,1113 34.251,1114 14.852,1115 1.907,1116 6.773,1117 28.717,1118 3.485,1119 17.855,1120 22.462,1121 15.838,1122 36.885,1123 15.947,1124 1.722,1125 5.503,1126 30.742,1127 3.1,1128 19.104,1129 24.026,1131 39.516,1132 17.017,1133 9419,1134 16778,1135 21.266,1136 32.813,1137 48.104,1138 50.041,1139 49.638,1140 48.164,1141 48.082,1142 67.792,1143 8.42,1144 142.671,1145 45.132,1146 5.819,1147 7.358,1148 7.41,1149 5.562,1150 5.558,1151 7.915,1152 5.9,1153 22.243,1154 5.053,1155 13.68,1156 1.503,1157 1.564,1158 1.551,1159 1.505,1160 1.503,1161 2.119,1162 0.263,1163 4.458,1164 1.41,1165 4.161,1166 4.158,1167 4.755,1168 4.142,1169 7.715,1170 4.069,1171 3.946,1172 3.955,1173 3.968,1174 3.884,1175 6.999,1176 3.871,1177 3.884,1178 3.91,1179 3.826,1180 3.808,1181 6.471,1182 3.808,1183 3.659,1184 3.642,1185 3.721,1186 3.588,1187 5.045,1188 3.542,1189 3.312,1190 3.352,1191 3.288,1192 3.129,1193 4.846,1194 3.132,1195 3.171,1196 3.229,1197 2.999,1198 2.904,1199 4.655,1200 2.899,1201 2.987,1202 3.038,1203 2.906,1204 2.813,1205 4.366,1206 2.819,1207 2.932,1208 2.981,1209 2.826,1210 2.771,1211 4.319,1212 2.773,1213 0.156,1214 0.167,1215 0.241,1216 0.138,1217 0.111,1218 5.006,1219 0.154,1220 5.358,1221 0.092,1222 7.726,1223 0.435,1224 4.421,1225 0.095,1226 3.558,1227 4.915,1228 2.95,1229 13.932,1230 3.053,1231 2.043,1232 2.044,1233 2.065,1234 2.139,1235 1.225,1236 2.144,1237 1.911,1238 1.898,1239 1.976,1240 1.988,1241 1.096,1242 2.006,1243 1.867,1244 1.843,1245 1.968,1246 1.967,1247 1.045,1248 1.971,1249 1.545,1250 1.56,1251 1.572,1252 1.669,1253 0.734,1254 1.694,1255 1.217,1256 1.174,1257 1.493,1258 1.497,1259 0.564,1260 1.512,1261 1.093,1262 1.04,1263 1.181,1264 1.328,1265 0.299,1266 1.342,1267 0.932,1268 0.879,1269 1.178,1270 1.156,1271 0.218,1272 1.141,1273 0.899,1274 0.846,1275 1.149,1276 1.116,1277 0.203,1278 1.128,1279 4.174,1281 5.517,1283 7.069,1285 8.713,1287 10.405,1289 1.51,1294 9.713,1296 2.966,1297 5.1,1305 31.798,1306 79.603,1307 155.29,1308 188.8,1309 225.819,1310 233.329,1311 237.329,1312 58.176,1313 7.657,1314 101.41,1315 109.79,1316 24,1317 12.721,1318 4.7,1319 3.858,1320 44.291,1321 99,1322 129,1323 0.211,1324 197.933,1325 336.45,1326 474.718,1327 21940,1329 20.433,1330 0.705,1331 0.559,1332 20.683,1333 16.219,1334 13.969,1335 0.437,1336 0.318,1337 8.692,1338 12.686,1339 8.367,1340 6.957,1341 14.757,1342 10.175,1343 12.963,1344 0.282,1345 0.176,1346 14.264,1347 8.085,1348 10.911,1349 0.179,1350 0.098,1351 12.236,1352 5.958,1353 8.968,1354 0.114,1355 0.052,1356 10.174,1357 4.127,1358 7.259,1359 0.07,1360 0.028,1361 8.383,1362 2.938,1363 0.32,1364 95.616,1365 0.217,1366 27.013,1367 0.612,1368 156,1369 507.84,1370 211.396,1371 511.187,1372 695.76,1373 472,1374 185,1375 487.216,1376 248.741,1377 530.992,1378 776.34,1379 497,1380 6}
{0 CHEMBL1835367,1 1.839,2 9.286,3 5.506,4 30.317,5 109.413,6 10.865,7 0.742,8 3.874,9 3.943,10 3.885,11 3.575,12 5.07,13 3.531,14 4.341,15 4.427,16 4.267,17 3.945,18 5.763,19 3.899,20 4.611,21 4.751,22 4.373,23 4.047,24 5.959,25 3.98,26 4.614,27 4.769,28 4.225,29 3.937,30 6.033,31 3.88,32 4.507,33 4.644,34 4.328,35 3.915,36 5.869,37 3.872,38 4.528,39 4.647,40 4.42,41 3.985,42 5.98,43 3.953,44 4.595,45 4.731,46 4.227,47 4.013,48 5.94,49 3.961,50 4.565,51 4.717,52 4.16,53 3.971,54 5.952,55 3.875,56 0.128,57 0.576,58 4.262,59 3.816,60 19.449,61 3.407,62 0.252,63 0.92,64 5.095,65 5.782,66 39.999,67 5.826,68 0.466,69 1.27,70 24.698,71 8.981,72 46.194,73 8.421,74 0.641,75 1.247,76 28.522,77 9.315,78 72.488,79 8.368,80 0.478,81 1.12,82 23.123,83 7.787,84 69.176,85 5.848,86 0.477,87 1.143,88 19.754,89 7.99,90 46.305,91 6.304,92 0.516,93 1.137,94 16.009,95 8.245,96 72.674,97 7.408,98 0.52,99 1.033,100 17.093,101 8.612,102 79.526,103 9.423,104 17,105 45,106 0.313,107 0.545,108 0.684,109 0.834,110 0.854,111 0.87,112 3.376,113 1.02,114 -4.49,115 -4.42,116 -4.17,117 1,119 47.6,142 12,144 4,146 2,147 2,172 7,174 1,175 2,178 1,180 4,183 9,186 3,187 8,190 1,192 2,195 6,198 2,199 10,202 2,203 1,204 3,212 9,217 4,224 14,227 1,229 3,232 4,237 6,240 1,245 15,250 3,253 2,255 2,258 17,268 4,271 10,275 1296,276 18.651,277 18.651,278 18.651,279 18.651,280 18.651,281 15.644,282 15.987,283 10.871,284 19.295,285 15.317,286 15.317,287 15.317,288 15.317,289 15.317,290 10.808,291 21.231,292 5.2,293 16.522,294 3.554,295 2.191,296 1.376,297 0.494,298 0.381,299 0.286,300 4.069,304 1,305 1,306 563,307 3.317,311 304.484,315 124.759,318 1.378,319 40.175,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 60.25,331 260,332 5.005,333 5.358,334 7.726,335 4.421,336 3.558,337 4.915,338 2.95,339 13.932,340 3.052,341 4.394,342 3.278,343 6.291,344 3.863,345 2.912,346 4.299,347 0.4,348 9.481,349 2.751,350 4.061,351 2.879,352 5.895,353 3.637,354 2.67,355 3.664,357 8.076,358 2.577,359 3.877,360 2.808,361 5.505,362 3.37,363 2.448,364 3.457,366 7.187,367 2.245,368 3.654,369 2.734,370 5.132,371 3.17,372 2.253,373 3.087,375 6.235,376 2.011,377 3.263,378 2.375,379 4.906,380 2.829,381 1.894,382 2.548,384 5.407,385 1.752,386 3.17,387 1.906,388 4.667,389 2.643,390 1.711,391 2.461,393 4.943,394 1.576,395 3.013,396 1.574,397 4.447,398 2.444,399 1.485,400 2.216,402 4.205,403 1.402,404 2.889,405 1.411,406 3.756,407 2.368,408 1.389,409 2.068,411 3.009,412 1.307,413 2.663,414 1.241,415 3.62,416 2.177,417 1.186,418 1.738,420 2.613,421 1.172,422 2.5,423 1.112,424 3.477,425 2,426 1,427 1.5,428 2.275,429 1,430 2.299,431 1,432 3.414,433 1.758,434 0.809,435 1.186,436 2.198,437 0.761,438 1.422,439 0.557,440 2.974,441 1.029,442 0.091,443 0.117,445 0.246,446 0.085,447 1.12,448 0.241,449 2.887,450 0.577,451 -0.221,452 -0.278,454 -0.488,455 -0.123,456 1.022,457 0.023,458 2.632,459 0.542,460 -0.389,461 -0.502,463 -0.881,464 -0.358,465 14.367,466 0.513,467 0.827,468 0.03,469 43.75,470 1.563,471 26,472 0.929,473 17.75,474 0.634,475 19.659,476 0.702,477 27.633,478 0.658,479 33.197,480 1.186,481 8.284,482 0.296,483 5.147,484 0.184,485 0.162,486 0.058,487 0.278,493 0.656,494 1.058,495 0.531,496 0.873,497 0.773,498 0.724,499 0.646,500 1.235,501 0.6,502 0.913,503 0.623,504 0.913,505 0.949,506 1.178,507 0.989,508 1.101,509 0.875,510 0.997,511 1.201,512 1.105,513 0.876,514 1.003,515 1.266,516 0.926,517 1.602,518 1.043,519 0.379,520 0.678,521 1.642,522 0.734,523 1.186,524 1.058,525 0.805,526 1.043,527 1.128,528 0.856,529 1.267,530 0.874,531 0.598,532 0.868,533 1.431,534 0.958,535 0.684,536 0.948,537 0.71,538 1.008,539 0.766,540 1.177,541 7,542 0.095,543 3.778,544 2.375,545 1.991,546 1.333,547 0.852,548 0.557,549 0.295,550 0.222,551 8877,552 30392,553 2.085,554 33.3,556 12,559 2,564 1.719,565 1.942,566 3.179,567 0.282,573 77.226,574 1.839,575 3.201,576 4.017,577 4.898,578 5.011,579 5.107,580 2.66,581 4.379,582 4.777,583 3.338,584 1261.82,585 8.357,586 16179.9,591 226.477,592 1.572,593 4.728,594 0.226,595 0.007,596 0.084,597 0.051,598 0.046,599 0.031,600 0.018,601 0.013,602 0.008,603 0.01,604 0.494,605 0.17,606 1,607 0.573,608 137.421,609 -0.005,610 -0.026,611 0.025,612 0.002,613 -0.194,614 0.058,615 0.127,616 -0.229,617 0.011,618 -0.093,619 0.148,620 -0.121,621 0.015,622 -0.096,623 -0.077,624 -0.116,625 0.024,626 -0.089,627 0.013,628 -0.005,629 -0.085,630 -0.015,631 0.009,632 0.001,633 -0.346,634 0.068,635 0.09,636 0.203,637 -0.272,638 0.107,639 -0.087,640 0.049,641 -0.007,642 -0.084,643 0.022,644 -0.01,645 -0.181,646 0.107,647 -0.031,648 -0.019,649 -0.208,650 -0.072,651 0.188,652 -0.082,653 0.01,654 -0.141,655 0.157,656 -0.192,657 4.844,658 6.26,659 0.786,660 23.857,661 1.021,662 1.104,663 3.265,664 10.659,665 0.761,666 3.466,667 3.829,668 4.094,669 4.357,670 4.635,671 4.754,672 4.868,673 5.004,674 5.1,675 5.13,676 5.763,677 0.728,678 456.34,679 3.466,680 5.03,681 5.889,682 6.786,683 7.666,684 8.571,685 9.462,686 10.372,687 11.269,688 12.183,689 7.1,697 1,699 2,703 2,704 12,705 2,709 6,711 23,724 1,728 1,730 1,731 42,733 25,734 3,735 31,736 1,737 45,738 20,739 20,740 6,741 12,746 4,747 5,761 20,766 2,769 1,771 2,781 14,782 6,783 2,784 8,785 2,790 3,794 0.75,795 3,802 1,812 4,816 1,840 3,842 1,843 1,848 28,851 1,853 1,855 1,869 1,870 7.1,872 1,873 2,877 14.417,878 7.493,879 5.972,880 2.286,881 4.408,882 1.582,883 1.022,884 4.961,885 11.983,886 3.818,887 4.516,888 5.116,889 5.716,890 6.331,891 6.683,892 7.103,893 7.53,894 7.966,895 8.244,896 1,897 47,898 10.648,900 4.984,901 7.982,902 19.281,904 16.137,905 2.482,906 69.5,910 141.253,911 134.862,912 97.536,914 86.996,916 6.046,917 174.77,918 228.25,919 51.582,922 119.761,923 120.567,924 29.662,925 3.45,926 141.253,927 45.954,928 141.253,929 180.397,930 86.996,931 6.046,932 45.954,933 141.253,934 86.996,937 22.299,938 124.527,939 39.617,940 45.954,941 141.253,942 138.578,943 180.816,945 6.046,946 141.253,947 15.101,948 113.715,949 63.965,950 120.567,951 141.253,952 138.578,953 180.816,955 0.593,956 0.34,957 0.179,958 0.103,959 23,960 10,961 0.089,962 4,963 1,964 1.091,965 3.832,966 255.628,967 0.091,968 22,969 128.606,973 1,974 18.727,975 7.418,976 3.847,977 1.027,978 138.578,979 19.724,980 8.843,984 1.338,986 60.694,987 460.647,988 44.5,991 -3.928,993 26.519,999 42.894,1000 46.376,1001 0.341,1002 0.594,1003 0.745,1004 0.908,1005 0.929,1006 0.947,1007 5.055,1008 1.485,1009 5.916,1010 4.943,1011 4.511,1012 5.204,1013 2.93,1014 6.79,1015 4.358,1016 6.322,1017 1.389,1018 7.522,1019 4.205,1020 4.29,1021 5.27,1023 8.038,1024 3.93,1025 7.683,1026 1.186,1027 9.248,1028 3.009,1029 6.205,1030 7.584,1031 5.027,1032 11.139,1033 5.856,1034 9.089,1035 1,1036 11.053,1037 2.613,1038 6.804,1039 8.468,1041 13.286,1042 6.21,1043 10.532,1044 0.809,1045 12.913,1046 2.275,1047 8.257,1048 10.304,1049 7.185,1050 16.03,1051 7.65,1052 12.004,1053 0.091,1054 14.814,1055 2.198,1056 9.225,1057 11.562,1059 18.5,1060 8.377,1061 13.5,1062 -0.221,1063 16.748,1064 0.246,1065 10.524,1066 13.224,1067 9.348,1068 21.159,1069 9.611,1070 3.558,1071 -0.389,1072 18.706,1073 -0.488,1074 11.657,1075 14.654,1077 23.737,1078 10.521,1079 2.912,1080 13.932,1081 20.684,1082 -0.881,1083 12.912,1084 16.252,1085 11.511,1086 26.376,1087 11.667,1088 2.67,1089 9.481,1090 22.677,1091 4.915,1092 14.115,1093 17.761,1095 28.99,1096 12.668,1097 2.448,1098 8.076,1099 24.681,1100 4.299,1101 15.364,1102 19.34,1103 13.675,1104 31.624,1105 13.778,1106 2.253,1107 7.187,1108 26.695,1109 3.664,1110 16.599,1111 20.886,1113 34.251,1114 14.826,1115 1.894,1116 6.235,1117 28.715,1118 3.457,1119 17.852,1120 22.461,1121 15.838,1122 36.884,1123 15.923,1124 1.711,1125 5.407,1126 30.74,1127 3.087,1128 19.102,1129 24.025,1131 39.516,1132 16.995,1133 8482,1134 15869,1135 20.572,1136 31.949,1137 47.126,1138 48.882,1139 48.135,1140 47.179,1141 46.814,1142 66.515,1143 6.7,1144 139.613,1145 43.384,1146 5.817,1147 7.358,1148 7.41,1149 5.561,1150 5.558,1151 7.915,1152 5.9,1153 22.243,1154 5.052,1155 13.267,1156 1.52,1157 1.577,1158 1.553,1159 1.522,1160 1.51,1161 2.146,1162 0.216,1163 4.504,1164 1.399,1165 4.16,1166 4.157,1167 6.88,1168 4.146,1169 7.715,1170 4.071,1171 3.944,1172 3.951,1173 4.754,1174 3.891,1175 6.999,1176 3.876,1177 3.884,1178 3.91,1179 3.967,1180 3.808,1181 6.471,1182 3.808,1183 3.639,1184 3.625,1185 3.825,1186 3.625,1187 5.044,1188 3.549,1189 3.288,1190 3.311,1191 3.569,1192 3.135,1193 4.707,1194 3.126,1195 2.99,1196 3.042,1197 3.279,1198 2.82,1199 4.654,1200 2.827,1201 2.933,1202 2.982,1203 2.908,1204 2.772,1205 4.36,1206 2.774,1207 2.896,1208 2.959,1209 2.826,1210 2.745,1211 4.104,1212 2.743,1213 0.161,1214 0.173,1215 0.249,1216 0.143,1217 0.115,1218 5.005,1219 0.159,1220 5.358,1221 0.095,1222 7.726,1223 0.449,1224 4.421,1225 0.098,1226 3.558,1227 4.915,1228 2.95,1229 13.932,1230 3.052,1231 2.043,1232 2.044,1233 2.064,1234 2.138,1235 1.227,1236 2.143,1237 1.911,1238 1.899,1239 1.976,1240 1.97,1241 1.098,1242 1.996,1243 1.867,1244 1.843,1245 1.938,1246 1.962,1247 1.045,1248 1.971,1249 1.539,1250 1.555,1251 1.496,1252 1.634,1253 0.731,1254 1.665,1255 1.158,1256 1.144,1257 1.181,1258 1.352,1259 0.312,1260 1.36,1261 0.937,1262 0.883,1263 1.178,1264 1.158,1265 0.218,1266 1.143,1267 0.899,1268 0.846,1269 1.149,1270 1.117,1271 0.204,1272 1.128,1273 0.886,1274 0.833,1275 1.113,1276 1.082,1277 0.192,1278 1.107,1279 4.143,1281 5.493,1283 7.047,1285 8.692,1287 10.385,1288 3.308,1294 9.697,1296 2.971,1305 30.582,1306 77.226,1307 134.438,1308 168.703,1309 205.722,1310 210.477,1311 214.477,1312 55.462,1313 7.575,1314 92.18,1315 100.56,1316 24,1317 12.699,1318 4.7,1319 3.858,1320 41.988,1321 92,1322 108,1323 0.216,1324 196.259,1325 329.64,1326 470.631,1327 19683,1328 2.4,1329 19.725,1330 0.704,1331 0.599,1332 20.975,1333 16.775,1334 13.431,1335 0.433,1336 0.34,1337 8.359,1338 11.732,1339 8.025,1340 6.63,1341 14.797,1342 10.545,1343 12.794,1344 0.284,1345 0.195,1346 14.911,1347 8.779,1348 10.503,1349 0.178,1350 0.106,1351 12.405,1352 6.241,1353 8.657,1354 0.112,1355 0.055,1356 10.197,1357 4.25,1358 7.142,1359 0.07,1360 0.033,1361 8.776,1362 3.338,1363 0.327,1364 99.645,1365 0.22,1366 26.138,1367 0.634,1368 152,1369 478.759,1370 270.388,1371 526.979,1372 706.76,1373 484,1374 180,1375 470.404,1376 269.348,1377 526.965,1378 772.1,1379 495,1380 6.328}
{0 CHEMBL1879463,1 1.427,2 12.778,3 5.365,4 28.788,5 138.345,6 7.959,7 0.683,8 4.186,9 4.293,10 3.831,11 3.831,12 5.352,13 3.809,14 4.701,15 4.853,16 4.247,17 4.259,18 5.79,19 4.228,20 4.961,21 5.118,22 4.386,23 4.451,24 6.112,25 4.401,26 5.111,27 5.314,28 4.316,29 4.46,30 6.247,31 4.384,32 5.065,33 5.282,34 4.243,35 4.389,36 6.169,37 4.309,38 4.93,39 5.132,40 4.163,41 4.299,42 5.992,43 4.224,44 4.891,45 5.095,46 4.144,47 4.274,48 5.936,49 4.201,50 4.9,51 5.102,52 4.154,53 4.259,54 6.007,55 4.188,56 0.013,57 0.821,58 9.883,59 4.864,60 10.513,61 6.131,62 0.221,63 1.395,64 19.087,65 8.289,66 20.372,67 10.796,68 0.117,69 1.784,70 24.821,71 11.086,72 25.032,73 14.241,74 0.316,75 2.079,76 32.936,77 12.875,78 66.848,79 16.536,80 0.32,81 1.925,82 33.019,83 13.074,84 62.599,85 17.165,86 0.197,87 1.689,88 27.62,89 11.36,90 41.925,91 14.822,92 0.281,93 1.679,94 26.332,95 10.54,96 35.106,97 13.797,98 0.166,99 1.635,100 26.695,101 11.189,102 36.498,103 14.729,104 28,105 62,106 0.225,107 0.549,108 0.711,109 0.831,110 0.847,111 0.847,112 3.616,113 0.86,114 -4.35,115 -4.29,116 -4.04,119 50.8,120 2,123 1,124 1,142 12,143 5,144 3,145 2,146 2,158 1,159 1,172 18,174 3,175 9,183 22,186 1,187 13,195 20,198 1,199 15,207 14,211 1,212 15,220 11,224 12,232 14,236 3,237 9,245 16,249 1,250 9,258 13,262 3,263 10,271 10,275 2486,276 24.411,277 24.411,278 24.411,279 24.411,280 24.411,281 21.138,282 20,283 13.679,284 24.703,285 20.099,286 20.099,287 20.099,288 20.099,289 20.099,290 14.925,291 28.418,292 6.346,293 20.579,294 4.455,295 2.4,296 1.378,297 0.615,298 0.513,299 0.513,300 4.332,305 1,306 1024,307 3.674,310 66.636,311 423.216,314 116.428,315 275.81,318 1.988,319 26.952,322 1,323 0.67,324 1,325 0.6,326 0.5,327 1,328 1,329 0.82,330 75.5,331 460,332 4.746,333 4.38,334 7.287,335 4.403,336 3.444,337 4.593,338 2.517,339 12.79,340 3.366,341 4.541,342 3.941,343 7.228,344 4.355,345 3.362,346 4.348,347 1.741,348 12.333,349 3.278,350 4.443,351 3.322,352 6.38,353 3.997,354 3.01,355 3.923,356 0.693,357 9.788,358 2.968,359 4.227,360 3.121,361 6.233,362 3.793,363 2.814,364 3.71,365 0.343,366 9.294,367 2.75,368 3.93,369 2.955,370 6.009,371 3.529,372 2.551,373 3.414,375 8.444,376 2.499,377 3.804,378 2.742,379 5.944,380 3.435,381 2.467,382 3.183,384 8.219,385 2.381,386 3.393,387 2.64,388 5.395,389 2.902,390 1.919,391 2.624,393 6.193,394 1.888,395 3.336,396 2.396,397 5.04,398 2.88,399 1.904,400 2.581,402 5.612,403 1.84,404 3.178,405 2.028,406 4.762,407 2.597,408 1.618,409 2.427,411 4.712,412 1.586,413 3.118,414 1.695,415 4.505,416 2.584,417 1.614,418 2.332,420 4.489,421 1.56,422 3.041,423 1.618,424 4.366,425 2.515,426 1.52,427 2.179,428 4.097,429 1.509,430 2.808,431 1.585,432 4.228,433 2.301,434 1.31,435 1.946,436 3.291,437 1.297,438 2.736,439 1.364,440 3.609,441 2.085,442 1.12,443 1.5,445 2.941,446 1.078,447 2.5,448 1.244,449 3.485,450 2,451 1,452 1.432,454 2.275,455 1,456 2.42,457 1.11,458 3.414,459 1.798,460 0.834,461 1.183,463 2.016,464 0.8,465 17.333,466 0.481,467 1.061,468 0.029,469 55,470 1.528,471 31.5,472 0.875,473 23.5,474 0.653,475 28.947,476 0.804,477 34.867,478 0.591,479 45.486,480 1.263,481 10.424,482 0.29,483 6.945,484 0.193,485 0.129,486 0.029,487 0.363,493 0.677,494 1.179,495 0.696,496 0.945,497 0.528,498 0.844,499 0.632,500 0.898,501 0.693,502 0.759,503 0.492,504 0.733,505 0.879,506 1.187,507 0.929,508 1.102,509 0.754,510 1.035,511 1.323,512 1.023,513 1.118,514 1.014,515 1.356,516 1.034,517 1.177,518 0.939,519 0.976,520 0.934,521 1.134,522 0.934,523 1.124,524 1.062,525 0.979,526 1.008,527 1.04,528 0.986,529 1.027,530 0.875,531 1.001,532 0.927,533 0.742,534 0.95,535 0.986,536 1.101,537 0.914,538 1.065,539 0.874,540 1.001,541 7.5,542 0.341,543 5.556,544 3.111,545 2.606,546 1.706,547 0.867,548 0.907,549 0.698,550 0.422,551 19352,552 48630,553 2.144,554 39,555 6,556 15,558 2,564 1.778,565 1.991,566 3.596,567 -0.827,573 84.218,574 1.427,575 3.483,576 4.505,577 5.268,578 5.37,579 5.37,580 3.051,581 4.739,582 5.137,583 3.769,584 2374.53,585 9.053,586 36183,591 347.076,592 1.581,593 5.092,594 0.183,595 0.009,596 0.09,597 0.045,598 0.042,599 0.029,600 0.016,601 0.017,602 0.013,603 0.009,604 0.453,605 0.33,606 0.75,607 0.826,608 193.699,609 0.01,610 -0.16,611 0.065,612 -0.043,613 -0.021,614 0.004,615 0.208,616 0.139,617 0.157,618 0.162,619 0.038,620 0.155,621 0.005,622 -0.182,623 -0.062,624 -0.168,625 0.01,626 -0.131,627 -0.16,629 -0.147,630 -0.061,631 -0.153,632 -0.093,633 -0.03,634 0.038,635 0.031,636 0.056,637 -0.012,638 0.053,639 -0.079,640 -0.087,641 -0.008,642 -0.028,643 -0.067,644 -0.015,645 -0.01,646 0.144,647 -0.04,648 0.031,649 -0.029,650 0.001,651 0.051,652 -0.136,653 0.059,654 -0.081,655 0.08,656 -0.023,657 1.859,658 6.407,659 0.806,660 39.957,661 0.996,662 1.109,663 3.123,664 9.75,665 0.718,666 3.738,667 4.143,668 4.5,669 4.804,670 5.124,671 5.308,672 5.545,673 5.762,674 5.966,675 6.105,676 7.32,677 0.688,678 469.58,679 3.738,680 5.333,681 6.232,682 7.154,683 8.071,684 8.998,685 9.921,686 10.852,687 11.78,688 12.713,689 8.5,696 2,698 1,699 2,703 4,704 14,705 2,709 6,711 28,731 59,733 30,734 3,735 41,737 64,738 30,739 24,740 7,741 11,746 6,747 10,751 1,752 2,753 1,760 1,761 25,762 4,766 1,771 1,775 1,781 23,782 6,784 6,790 5,794 0.5,795 1,805 2,811 1,812 5,815 1,816 2,822 1,840 3,844 3,848 36,859 2,860 1,861 1,866 1,868 1,870 1.7,873 1,877 18.083,878 12.083,879 7.653,880 3.546,881 5.677,882 1.612,883 1.031,884 4.95,885 14.95,886 4.078,887 4.749,888 5.44,889 6.083,890 6.751,891 7.185,892 7.736,893 8.268,894 8.796,895 9.212,896 0.889,897 69,898 13.291,900 5.86,901 7.697,902 25.423,904 21.692,905 2.197,906 79.083,910 270.735,911 205.995,912 70.879,914 25.145,917 205.995,918 295.88,919 70.879,920 26.047,921 6.249,922 113.715,923 98.86,924 76.415,925 4.276,926 247.193,928 270.735,929 276.874,930 25.145,933 270.735,934 25.145,937 77.342,938 165.962,939 33.571,941 270.735,942 96.024,943 205.995,946 270.735,947 31.537,948 164.105,949 16.602,950 89.775,951 270.735,952 96.024,953 205.995,955 0.602,956 0.372,957 0.195,958 0.108,959 34,960 15,961 0.047,962 3,963 3,964 1.207,965 4.476,966 382.124,967 0.207,968 29,969 180.117,974 22.074,975 8.073,976 3.497,977 3.716,978 96.024,979 27.544,980 9.256,984 5.204,987 572.755,988 58,993 13.407,997 -0.149,999 58.789,1000 65.438,1001 0.243,1002 0.592,1003 0.766,1004 0.896,1005 0.913,1006 0.913,1007 5.357,1008 1.904,1009 6.271,1010 6.193,1011 4.828,1012 5.438,1013 2.983,1014 7.189,1015 4.782,1016 6.617,1017 1.618,1018 7.905,1019 5.612,1020 4.635,1021 5.352,1022 1.404,1023 8.412,1024 4.57,1025 7.966,1026 1.614,1027 9.646,1028 4.712,1029 6.564,1030 7.745,1031 4.54,1032 11.511,1033 6.471,1034 9.352,1035 1.52,1036 11.45,1037 4.489,1038 7.186,1039 8.471,1040 2.602,1041 13.539,1042 7.073,1043 10.77,1044 1.31,1045 13.294,1046 4.097,1047 8.629,1048 10.343,1049 6.295,1050 16.22,1051 8.492,1052 12.21,1053 1.12,1054 15.166,1055 3.291,1056 9.593,1057 11.454,1058 3.779,1059 18.553,1060 9.433,1061 13.669,1062 1,1063 17.058,1064 2.941,1065 10.871,1066 13.109,1067 8.106,1068 21.118,1069 10.689,1070 3.444,1071 0.834,1072 18.965,1073 2.275,1074 11.977,1075 14.413,1076 4.932,1077 23.569,1078 11.771,1079 3.362,1080 12.79,1081 20.884,1082 2.016,1083 13.202,1084 15.973,1085 9.936,1086 26.103,1087 12.974,1088 3.01,1089 12.333,1090 22.813,1091 4.593,1092 14.368,1093 17.374,1094 6.067,1095 28.601,1096 14.116,1097 2.814,1098 9.788,1099 24.75,1100 4.348,1101 15.579,1102 18.895,1103 11.775,1104 31.13,1105 15.303,1106 2.551,1107 9.294,1108 26.694,1109 3.923,1110 16.772,1111 20.344,1112 7.191,1113 33.648,1114 16.472,1115 2.467,1116 8.444,1117 28.643,1118 3.71,1119 17.982,1120 21.851,1121 13.618,1122 36.178,1123 17.659,1124 1.919,1125 8.219,1126 30.597,1127 3.414,1128 19.188,1129 23.326,1130 8.309,1131 38.705,1132 18.84,1133 17874,1134 28481,1135 27.452,1136 42.336,1137 65.48,1138 67.704,1139 65.721,1140 63.23,1141 63.233,1142 86.437,1143 10.588,1144 197.528,1145 61.759,1146 5.619,1147 6.38,1148 6.974,1149 5.456,1150 5.444,1151 7.593,1152 5.034,1153 20.508,1154 5.366,1155 18.114,1156 1.597,1157 1.651,1158 1.603,1159 1.542,1160 1.542,1161 2.108,1162 0.258,1163 4.818,1164 1.506,1165 4.162,1166 4.189,1167 4.134,1168 4.089,1169 7.428,1170 4.096,1171 4.027,1172 4.056,1173 3.991,1174 3.95,1175 6.817,1176 3.956,1177 3.934,1178 3.963,1179 3.88,1180 3.879,1181 5.039,1182 3.876,1183 3.695,1184 3.736,1185 3.644,1186 3.565,1187 4.931,1188 3.578,1189 3.544,1190 3.597,1191 3.457,1192 3.437,1193 4.718,1194 3.434,1195 3.421,1196 3.469,1197 3.345,1198 3.29,1199 4.444,1200 3.297,1201 3.16,1202 3.223,1203 3.081,1204 2.975,1205 4.284,1206 2.992,1207 3.056,1208 3.133,1209 2.905,1210 2.871,1211 4.141,1212 2.87,1213 0.116,1214 0.107,1215 0.178,1216 0.107,1217 0.084,1218 4.746,1219 0.112,1220 4.38,1221 0.061,1222 7.287,1223 0.312,1224 4.403,1225 0.082,1226 3.444,1227 4.593,1228 2.517,1229 12.79,1230 3.366,1231 2.088,1232 2.067,1233 2.152,1234 2.161,1235 1.294,1236 2.16,1237 1.984,1238 1.96,1239 2.069,1240 2.069,1241 1.225,1242 2.069,1243 1.933,1244 1.908,1245 2.031,1246 2.017,1247 1.164,1248 2.024,1249 1.589,1250 1.543,1251 1.789,1252 1.77,1253 0.901,1254 1.768,1255 1.555,1256 1.514,1257 1.709,1258 1.709,1259 0.808,1260 1.718,1261 1.393,1262 1.338,1263 1.596,1264 1.579,1265 0.67,1266 1.586,1267 1.232,1268 1.188,1269 1.417,1270 1.4,1271 0.499,1272 1.403,1273 1.003,1274 0.936,1275 1.414,1276 1.253,1277 0.469,1278 1.308,1279 4.419,1281 5.802,1282 2.398,1283 7.393,1284 4.949,1285 9.071,1286 7.222,1287 10.793,1289 5.53,1300 3.351,1301 -0.609,1303 9.499,1304 2.333,1305 40.563,1306 84.218,1307 205.469,1308 265.792,1309 310.811,1310 316.811,1311 316.811,1312 58.49,1313 9.274,1314 76.5,1315 76.5,1316 35,1317 13.214,1318 4.954,1319 4.17,1320 48.896,1321 153,1322 172,1323 0.153,1324 245.31,1325 420.45,1326 590.316,1327 158616,1329 25.026,1330 0.695,1331 0.562,1332 25.026,1333 20.227,1334 17.369,1335 0.424,1336 0.287,1337 11.642,1338 16.949,1339 11.229,1340 9.344,1341 17.369,1342 11.748,1343 16.443,1344 0.265,1345 0.155,1346 16.443,1347 9.601,1348 15.084,1349 0.169,1350 0.078,1351 15.084,1352 6.934,1353 12.407,1354 0.103,1355 0.039,1356 12.407,1357 4.737,1358 10.743,1359 0.064,1360 0.02,1361 10.743,1362 3.379,1363 0.237,1364 107.177,1365 0.191,1366 32.484,1367 0.428,1368 206,1369 527.961,1370 218.011,1371 531.824,1372 750.86,1373 498,1374 254,1375 578.369,1376 268.038,1377 596.739,1378 880.47,1379 561,1380 8}
{0 CHEMBL188678,1 1.501,2 10.067,3 5.404,4 29.202,5 120.277,6 8.439,7 0.6,8 4.028,9 4.106,10 3.763,11 3.706,12 5.11,13 3.669,14 4.573,15 4.689,16 4.181,17 4.136,18 5.629,19 4.083,20 4.814,21 4.97,22 4.289,23 4.282,24 5.836,25 4.203,26 4.823,27 4.968,28 4.243,29 4.276,30 5.9,31 4.183,32 4.808,33 4.968,34 4.186,35 4.226,36 5.854,37 4.143,38 4.776,39 4.931,40 4.14,41 4.204,42 5.857,43 4.121,44 4.741,45 4.9,46 4.076,47 4.135,48 5.855,49 4.046,50 4.702,51 4.896,52 3.886,53 4.038,54 5.681,55 3.922,56 0.008,57 0.588,58 8.224,59 4.533,60 4.922,61 5.197,62 0.194,63 1.072,64 17.292,65 8.061,66 16.013,67 8.862,68 0.29,69 1.395,70 26.253,71 11.236,72 25.337,73 12.554,74 0.37,75 1.375,76 28.63,77 12.107,78 36.649,79 13.216,80 0.352,81 1.354,82 28.303,83 11.779,84 31.89,85 13.211,86 0.213,87 1.306,88 23.942,89 10.694,90 34.813,91 12.118,92 0.328,93 1.275,94 24.223,95 10.298,96 44.418,97 11.838,98 0.146,99 1.238,100 23.656,101 10.44,102 25.903,103 12.757,104 2,105 51,106 0.248,107 0.563,108 0.691,109 0.803,110 0.853,111 0.86,112 3.442,113 0.935,114 -4.79,115 -4.7,116 -4.42,119 51,125 4,135 1,139 1,142 10,143 5,144 1,152 2,157 1,172 14,174 1,175 6,183 21,186 1,187 4,195 22,198 2,199 6,207 19,211 1,212 9,220 20,224 5,232 15,236 1,237 10,245 11,250 9,258 8,263 6,271 4,275 1398,276 21.068,277 21.068,278 21.068,279 21.068,280 21.068,281 18.423,282 13.258,283 12.38,284 21.564,285 17.34,286 17.34,287 17.34,288 17.34,289 17.34,290 13.207,291 16.375,292 5.884,293 18.172,294 4.114,295 2.205,296 1.428,297 0.75,298 0.449,299 0.408,300 4.171,304 1,305 1,306 693,307 2.345,310 41.09,311 315.2,314 164.092,315 105.064,318 1.413,319 23.398,322 1,323 0.83,324 1,325 0.6,326 0.5,327 1,328 1,329 0.85,330 63.5,331 302,332 4.78,333 3.643,334 6.988,335 4.298,336 3.333,337 4.86,338 1.138,339 11.925,340 3.225,341 4.522,342 3.296,343 6.716,344 4.106,345 3.141,346 4.211,347 0.86,348 10.924,349 3.038,350 4.108,351 3.173,352 6.234,353 3.731,354 2.782,355 3.667,356 0.643,357 9.271,358 2.676,359 3.878,360 2.959,361 6.051,362 3.554,363 2.581,364 3.243,366 8.633,367 2.457,368 3.595,369 2.501,370 5.571,371 3.156,372 2.165,373 2.942,375 6.944,376 2.13,377 3.311,378 2.327,379 5.112,380 2.802,381 1.84,382 2.643,384 5.714,385 1.767,386 3.07,387 1.975,388 4.666,389 2.728,390 1.826,391 2.303,393 4.675,394 1.636,395 3.004,396 1.789,397 4.537,398 2.524,399 1.578,400 2.109,402 4.471,403 1.466,404 2.86,405 1.654,406 4.072,407 2.399,408 1.435,409 1.99,411 3.318,412 1.38,413 2.822,414 1.437,415 3.811,416 2.327,417 1.337,418 1.957,420 3.105,421 1.315,422 2.748,423 1.402,424 3.804,425 2.276,426 1.298,427 1.797,428 3.023,429 1.258,430 2.509,431 1.317,432 3.599,433 2.053,434 1.112,435 1.492,436 2.742,437 1.043,438 2.212,439 1.256,440 3.478,441 1.952,442 1,443 1.151,445 2.45,446 0.946,447 2,448 1.085,449 3.247,450 1.902,451 0.955,452 1,454 2.136,455 0.892,456 1.908,457 0.67,458 3.132,459 1.336,460 0.423,461 0.62,463 1.075,464 0.376,465 14.733,466 0.491,467 0.637,468 0.021,469 41,470 1.367,471 21.5,472 0.717,473 19.5,474 0.65,475 24.886,476 0.83,477 29.667,478 0.605,479 30.439,480 1.015,481 7.984,482 0.266,483 6.809,484 0.227,485 0.023,487 0.367,493 0.734,494 1.009,495 0.667,496 0.854,497 0.569,498 0.797,499 1.092,500 0.86,501 0.842,502 0.79,503 0.709,504 0.8,505 1.127,506 0.821,507 0.932,508 0.827,509 0.884,510 0.816,511 1.06,512 0.99,513 1.188,514 1.082,515 0.943,516 0.996,517 1.029,518 0.975,519 1.032,520 1.015,521 1.021,522 0.946,523 1.178,524 1.02,525 0.977,526 0.972,527 1.646,528 1.01,529 1.001,530 1.102,531 0.998,532 1.078,533 1.574,534 1.097,535 0.856,536 1.136,537 0.94,538 1.072,539 0.895,540 1.12,541 4,542 0.098,543 3.556,544 2.326,545 1.559,546 1.16,547 0.686,548 0.36,549 0.285,550 0.179,551 11829,552 29677,553 2.268,554 38.8,556 19,564 1.734,565 2.195,566 3.329,567 -0.825,573 73.559,574 1.501,575 3.41,576 4.187,577 4.865,578 5.166,579 5.207,580 2.727,581 4.482,582 4.88,583 3.437,584 1495.13,585 8.545,586 19558.5,591 275.121,592 1.136,593 4.868,594 0.114,595 0.005,596 0.07,597 0.042,598 0.03,599 0.023,600 0.014,601 0.008,602 0.008,603 0.007,604 0.322,605 0.33,606 0.88,607 0.327,608 150.282,609 -0.005,610 -0.067,611 0.076,612 0.007,613 -0.028,614 0.03,615 -0.068,616 0.148,617 0.03,618 0.121,619 -0.038,620 0.059,621 -0.065,622 0.191,623 0.064,624 0.155,625 -0.013,626 0.118,627 0.043,628 -0.014,629 -0.095,630 -0.034,631 0.064,632 -0.046,633 0.036,634 -0.01,635 -0.018,636 -0.012,637 -0.011,638 0.016,639 -0.128,640 -0.054,641 -0.079,642 -0.04,643 -0.175,644 -0.08,645 0.036,646 -0.133,647 -0.083,648 -0.139,649 -0.061,650 -0.158,651 -0.015,652 -0.176,653 -0.036,654 -0.132,655 -0.001,656 -0.125,657 1.678,658 5.915,659 0.967,660 23.853,661 1.002,662 1.098,663 3.562,664 12.689,665 0.732,666 3.584,667 3.951,668 4.331,669 4.691,670 5.004,671 5.153,672 5.394,673 5.591,674 5.72,675 5.858,676 5.984,677 0.696,678 413.52,679 3.584,680 5.153,681 6.052,682 6.967,683 7.883,684 8.807,685 9.73,686 10.657,687 11.584,688 12.513,689 2,692 1,703 4,704 10,708 1,709 4,711 21,716 1,729 1,731 49,733 23,734 3,735 35,737 54,738 25,739 18,740 8,741 10,742 3,746 6,747 10,761 21,762 4,766 2,771 1,773 1,775 2,781 19,782 4,784 5,785 1,790 1,794 0.5,795 3,811 1,812 5,815 2,816 1,831 1,836 1,839 1,840 3,842 1,848 30,854 4,856 2,859 1,865 1,870 6.1,873 1,874 1,875 1,877 13.667,878 9.033,879 6.417,880 3.069,881 4.989,882 1.566,883 1.077,884 4.36,885 13.805,886 3.882,887 4.551,888 5.267,889 5.973,890 6.619,891 7.087,892 7.657,893 8.193,894 8.583,895 9.046,896 0.857,897 55,898 11.141,900 4.956,901 7.583,902 21.683,904 18.855,905 2.083,906 62.5,910 223.651,911 180.298,912 3.124,914 47.145,916 31.278,917 149.021,918 270.796,919 3.124,921 13.396,922 104.239,923 41.278,924 38.885,925 1.492,926 254.929,928 223.651,929 152.145,930 47.145,931 31.278,933 223.651,934 36.145,935 11,937 16.52,938 126.148,939 9.476,940 31.278,941 223.651,942 50.269,943 180.298,946 223.651,947 76.06,948 107.363,950 47.145,951 223.651,952 50.269,953 180.298,955 0.585,956 0.361,957 0.214,958 0.122,959 29,960 11,961 0.037,962 2,963 3,964 1.207,965 4.103,966 303.771,967 0.207,968 29,969 143.207,970 1,974 18.11,975 7.222,976 2.979,977 4.966,978 50.269,979 20.671,983 1.781,984 3.317,987 454.218,988 47.5,993 12.915,995 1.609,997 0.606,999 49.113,1000 53.783,1001 0.267,1002 0.607,1003 0.746,1004 0.866,1005 0.92,1006 0.927,1007 5.137,1008 1.578,1009 6.043,1010 4.675,1011 4.635,1012 5.239,1013 1.724,1014 6.925,1015 4.55,1016 6.363,1017 1.435,1018 7.636,1019 4.471,1020 4.205,1021 5.112,1022 0.325,1023 7.941,1024 4.096,1025 7.695,1026 1.337,1027 9.335,1028 3.318,1029 6.282,1030 7.556,1031 1.676,1032 11.122,1033 6.13,1034 9.07,1035 1.298,1036 11.098,1037 3.105,1038 6.735,1039 8.337,1040 0.424,1041 12.994,1042 6.555,1043 10.483,1044 1.112,1045 12.902,1046 3.023,1047 8.252,1048 10.23,1049 1.733,1050 15.682,1051 8.037,1052 11.924,1053 1,1054 14.734,1055 2.742,1056 9.108,1057 11.437,1058 0.581,1059 17.89,1060 8.862,1061 13.386,1062 0.955,1063 16.585,1064 2.45,1065 10.406,1066 13.116,1067 1.843,1068 20.416,1069 10.129,1070 3.333,1071 0.423,1072 18.45,1073 2.136,1074 11.443,1075 14.521,1076 0.788,1077 22.763,1078 11.132,1079 3.141,1080 11.925,1081 20.325,1082 1.075,1083 12.658,1084 16.12,1085 1.986,1086 25.237,1087 12.317,1088 2.782,1089 10.924,1090 22.209,1091 4.86,1092 13.774,1093 17.613,1094 1.027,1095 27.643,1096 13.399,1097 2.581,1098 9.271,1099 24.1,1100 4.211,1101 14.961,1102 19.186,1103 2.153,1104 30.102,1105 14.556,1106 2.165,1107 8.633,1108 25.996,1109 3.667,1110 16.113,1111 20.72,1112 1.284,1113 32.535,1114 15.674,1115 1.84,1116 6.944,1117 27.897,1118 3.243,1119 17.293,1120 22.287,1121 2.337,1122 34.992,1123 16.823,1124 1.826,1125 5.714,1126 29.801,1127 2.942,1128 18.461,1129 23.84,1130 1.553,1131 37.44,1132 17.958,1133 10629,1134 16979,1135 24.561,1136 35.87,1137 54.07,1138 55.289,1139 54.605,1140 53.575,1141 53.612,1142 71.969,1143 5.281,1144 160.814,1145 51.209,1146 5.78,1147 5.643,1148 6.79,1149 5.421,1150 5.333,1151 7.86,1152 2.22,1153 19.703,1154 5.225,1155 6.845,1156 1.545,1157 1.58,1158 1.56,1159 1.531,1160 1.532,1161 2.056,1162 0.151,1163 4.595,1164 1.463,1165 4.196,1166 4.198,1167 4.408,1168 4.223,1169 7.428,1170 4.179,1171 3.976,1172 3.988,1173 3.961,1174 3.901,1175 4.978,1176 3.905,1177 3.774,1178 3.822,1179 3.68,1180 3.628,1181 4.829,1182 3.631,1183 3.654,1184 3.685,1185 3.573,1186 3.545,1187 4.622,1188 3.55,1189 3.418,1190 3.442,1191 3.379,1192 3.277,1193 4.515,1194 3.287,1195 3.111,1196 3.206,1197 3.334,1198 3.138,1199 4.368,1200 3.048,1201 3.109,1202 3.132,1203 2.983,1204 2.957,1205 3.9,1206 2.948,1207 3.043,1208 3.066,1209 2.866,1210 2.941,1211 3.805,1212 2.91,1213 0.137,1214 0.104,1215 0.2,1216 0.123,1217 0.095,1218 4.78,1219 0.139,1220 3.643,1221 0.033,1222 6.988,1223 0.341,1224 4.298,1225 0.092,1226 3.333,1227 4.86,1228 1.138,1229 11.925,1230 3.225,1231 2.035,1232 2.025,1233 2.099,1234 2.096,1235 1.276,1236 2.095,1237 1.932,1238 1.919,1239 2.006,1240 2.01,1241 1.206,1242 2.013,1243 1.793,1244 1.781,1245 1.918,1246 1.932,1247 1.141,1248 1.939,1249 1.689,1250 1.639,1251 1.835,1252 1.82,1253 0.983,1254 1.84,1255 1.375,1256 1.351,1257 1.525,1258 1.543,1259 0.825,1260 1.538,1261 1.153,1262 1.067,1263 1.513,1264 1.376,1265 0.591,1266 1.429,1267 1.076,1268 1.064,1269 1.223,1270 1.174,1271 0.369,1272 1.186,1273 1.043,1274 1.011,1275 1.158,1276 1.128,1277 0.346,1278 1.18,1279 4.263,1281 5.617,1282 2.398,1283 7.189,1284 4.844,1285 8.86,1286 7.066,1287 10.581,1295 2.736,1297 11.815,1300 2.084,1305 34.094,1306 73.559,1307 167.093,1308 205.147,1309 238.366,1310 253.121,1311 255.121,1312 39.999,1313 8.815,1314 42.68,1315 70.92,1316 35,1317 13.016,1318 4.585,1319 3.755,1320 37.533,1321 106,1322 114,1323 0.172,1324 203.931,1325 350.14,1326 489.352,1327 92785,1329 20.079,1330 0.669,1331 0.569,1332 20.432,1333 17.076,1334 14.793,1335 0.423,1336 0.312,1337 10.059,1338 13.927,1339 9.806,1340 7.999,1341 15.201,1342 10.913,1343 13.396,1344 0.263,1345 0.168,1346 14.012,1347 8.563,1348 12.289,1349 0.164,1350 0.093,1351 13.133,1352 6.979,1353 11.201,1354 0.104,1355 0.051,1356 12.208,1357 5.506,1358 9.791,1359 0.066,1360 0.027,1361 10.767,1362 4.059,1363 0.261,1364 95.808,1365 0.202,1366 27.609,1367 0.497,1368 172,1369 465.712,1370 209.338,1371 468.263,1372 660.43,1373 444,1374 212,1375 483.105,1376 249.63,1377 503.998,1378 757.46,1379 479,1380 5.301}
{0 CHEMBL189434,1 1.519,2 8.32,3 3.551,4 12.609,5 98.498,6 7.89,7 0.786,8 3.859,9 3.961,10 3.48,11 3.442,12 5.026,13 3.435,14 4.334,15 4.472,16 3.81,17 3.812,18 5.467,19 3.784,20 4.541,21 4.733,22 3.87,23 3.899,24 5.58,25 3.854,26 4.539,27 4.712,28 3.923,29 3.905,30 5.614,31 3.877,32 4.573,33 4.724,34 3.985,35 3.986,36 5.693,37 3.958,38 4.676,39 4.843,40 3.971,41 4.028,42 5.803,43 3.985,44 4.715,45 4.925,46 3.749,47 3.951,48 5.82,49 3.852,50 4.576,51 4.842,52 3.246,53 3.714,54 5.465,55 3.534,56 0.04,57 0.589,58 7.605,59 3.637,60 9.332,61 4.337,62 0.199,63 0.946,64 13.569,65 5.925,66 21.59,67 7.244,68 0.198,69 1.117,70 19.009,71 7.67,72 26.529,73 9.997,74 0.306,75 1.118,76 18.661,77 7.322,78 26.094,79 9.172,80 0.221,81 1.169,82 18.179,83 7.509,84 24.928,85 9.174,86 0.235,87 1.334,88 20.426,89 7.807,90 28.135,91 9.594,92 0.419,93 1.348,94 23.296,95 8.547,96 47.403,97 11.165,98 0.202,99 1.114,100 22.305,101 8.628,102 32.259,103 12.039,104 5,105 38,106 0.262,107 0.576,108 0.68,109 0.758,110 0.814,111 0.838,112 3.269,113 0.869,114 -5.03,115 -4.93,116 -4.62,119 47.6,125 2,142 10,143 4,147 1,148 1,152 1,161 1,172 14,174 2,175 5,178 1,180 1,183 16,187 5,191 1,192 1,195 14,198 1,199 7,202 2,204 1,207 11,212 10,215 1,217 4,220 12,224 9,229 5,232 11,237 5,240 2,242 4,245 8,250 1,255 4,258 4,268 4,271 1,275 950,276 17.681,277 17.681,278 17.681,279 17.681,280 17.681,281 15.155,282 7.215,283 10.953,284 17.916,285 13.868,286 13.868,287 13.868,288 13.868,289 13.868,290 10.133,291 11.409,292 5.192,293 14.246,294 3.873,295 2.048,296 1.446,297 0.988,298 0.667,299 0.524,300 3.972,303 1,304 1,305 1,306 452,307 2.55,310 46.796,311 192.603,314 92.753,318 1.238,319 18.302,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 208,332 4.78,333 3.38,334 7.123,335 4.357,336 3.367,337 4.737,338 0.4,339 12.454,340 3.337,341 4.083,342 2.75,343 6.206,344 3.676,345 2.699,346 3.682,348 9.111,349 2.64,350 3.901,351 2.499,352 5.751,353 3.488,354 2.494,355 3.47,357 7.746,358 2.477,359 3.499,360 2.22,361 5.199,362 3.056,363 2.106,364 2.903,366 6.243,367 2,368 3.292,369 1.822,370 4.682,371 2.791,372 1.812,373 2.666,375 4.698,376 1.771,377 2.989,378 1.745,379 4.326,380 2.553,381 1.566,382 2.195,384 3.772,385 1.544,386 2.812,387 1.537,388 3.706,389 2.352,390 1.418,391 1.958,393 2.979,394 1.318,395 2.525,396 1.331,397 3.525,398 2.278,399 1.323,400 1.527,402 2.764,403 1.26,404 2.5,405 1,406 3.486,407 2,408 1,409 1.5,411 2.52,412 1,413 2.5,414 1,415 3.325,416 2,417 1,418 1.5,420 2.136,421 1,422 2.5,423 1,424 3.247,425 1.99,426 1,427 1.5,428 2.136,429 0.989,430 2.148,431 0.974,432 3.247,433 1.723,434 0.765,435 1.027,436 1.85,437 0.73,438 1.392,439 0.544,440 2.682,441 1.117,442 0.229,443 0.259,445 0.394,446 0.202,447 0.973,448 -0.299,449 2.559,450 0.574,451 -0.405,452 -0.539,454 -0.952,455 -0.39,456 0.792,457 -0.428,458 2.284,459 0.398,460 -0.522,461 -0.632,463 -1.158,464 -0.485,465 11.867,466 0.475,467 0.377,468 0.015,469 36.75,470 1.47,471 20.5,472 0.82,473 16.25,474 0.65,475 16.443,476 0.658,477 25.333,478 0.603,479 26.3,480 1.052,481 7.506,482 0.3,483 4.876,484 0.195,485 0.028,487 0.295,493 0.945,494 1.13,495 0.748,496 0.938,497 0.958,498 0.834,499 0.918,500 0.923,501 0.906,502 0.948,503 0.954,504 0.929,505 0.857,506 1.003,507 0.775,508 0.902,509 0.766,510 0.84,511 1.08,512 0.9,513 0.833,514 0.84,515 0.755,516 0.809,517 1.169,518 1.118,519 0.932,520 0.98,521 0.699,522 0.934,523 1.302,524 1.225,525 1.175,526 1.09,527 0.959,528 1.098,529 1.016,530 1.107,531 1.288,532 1.136,533 1.035,534 1.22,535 0.666,536 1.001,537 1.171,538 1.179,539 0.786,540 1.234,541 2.5,542 0.033,543 2,544 1.757,545 1.616,546 0.862,547 0.346,548 0.275,549 0.107,550 0.051,551 6317,552 16971,553 2.179,554 40.5,556 14,558 1,559 2,564 1.692,565 2.113,566 3.01,567 0.233,569 1,573 63.797,574 1.519,575 3.344,576 3.946,577 4.404,578 4.726,579 4.869,580 2.504,581 4.103,582 4.61,583 3.144,584 943.213,585 8.04,586 11054.6,587 1,588 1,590 1,591 226.477,592 1.078,593 4.606,594 0.089,595 0.008,596 0.053,597 0.044,598 0.038,599 0.019,600 0.008,601 0.009,602 0.006,603 0.006,604 0.28,605 0.17,606 1,607 0.929,608 116.917,609 -0.088,610 -0.068,611 0.034,612 0.015,613 -0.137,614 0.039,615 0.047,616 0.135,617 -0.055,618 -0.002,619 -0.1,620 -0.04,621 0.051,622 -0.014,623 0.167,624 0.075,625 0.025,626 0.127,627 0.067,628 0.116,629 0.108,630 0.117,631 0.01,632 0.115,633 -0.077,634 -0.094,635 -0.038,636 -0.027,637 0.046,638 -0.03,639 -0.236,640 -0.152,641 -0.27,642 -0.171,643 -0.123,644 -0.214,645 -0.027,646 -0.078,647 -0.321,648 -0.196,649 -0.045,650 -0.28,651 -0.025,652 -0.08,653 -0.149,654 -0.172,655 -0.024,656 -0.173,657 1.477,658 3.14,659 0.84,660 19.52,661 1.003,662 1.115,663 3.802,664 14.452,665 0.697,666 3.367,667 3.664,668 4.007,669 4.369,670 4.673,671 4.804,672 4.984,673 5.118,674 5.147,675 5.112,676 5.117,677 0.671,678 331.4,679 3.367,680 4.89,681 5.759,682 6.653,683 7.555,684 8.47,685 9.388,686 10.311,687 11.236,688 12.165,689 7.1,694 1,699 2,703 2,704 11,705 2,707 1,709 5,711 22,724 1,731 42,733 22,734 2,735 28,737 45,738 20,739 18,740 2,741 10,746 4,747 5,752 1,761 18,762 2,777 1,778 1,780 1,781 17,782 5,783 2,784 5,790 3,794 0.75,795 2,796 1,806 1,811 1,812 3,815 1,838 1,840 3,848 25,853 1,854 2,855 1,870 4.8,871 1,875 1,877 11.833,878 7.433,879 5.667,880 2.451,881 3.958,882 1.533,883 1.004,884 4.359,885 11.383,886 3.689,887 4.321,888 5.013,889 5.72,890 6.354,891 6.769,892 7.302,893 7.797,894 8.149,895 8.471,896 0.833,897 40,898 9.186,900 3.887,901 7.687,902 17.563,904 14.336,905 2.187,906 54.667,909 1,910 176.567,911 129.801,912 51.582,914 52.191,917 129.801,918 228.757,919 51.582,921 2.106,922 137.446,923 67.76,924 30.256,925 7.777,926 164.795,928 176.567,929 181.382,930 52.191,933 176.567,934 9.507,935 42.683,937 15.132,938 114.669,939 51.582,941 176.567,942 103.772,943 129.801,946 176.567,947 26.42,948 103.381,949 18.011,950 85.762,951 176.567,952 103.772,953 129.801,955 0.558,956 0.334,957 0.205,958 0.127,959 19,960 7,961 0.111,962 5,963 1,964 1.095,965 3.645,966 220.811,967 0.095,968 21,969 108.096,974 15.67,975 6.954,976 2.966,977 1.342,978 103.772,979 21.478,980 8.646,982 6.107,984 4.371,986 60.694,987 410.14,988 39,999 42.145,1000 46.82,1001 0.282,1002 0.62,1003 0.732,1004 0.817,1005 0.876,1006 0.903,1007 4.887,1008 1.323,1009 5.714,1010 2.979,1011 4.344,1012 5.007,1013 0.278,1014 6.561,1015 4.3,1016 6.09,1017 1,1018 7.276,1019 2.764,1020 3.761,1021 4.691,1023 7.561,1024 3.72,1025 7.395,1026 1,1027 8.955,1028 2.52,1029 5.932,1030 7.284,1031 0.05,1032 10.774,1033 5.863,1034 8.749,1035 1,1036 10.709,1037 2.136,1038 6.312,1039 7.937,1041 12.716,1042 6.25,1043 10.146,1044 0.765,1045 12.513,1046 2.136,1047 7.876,1048 9.911,1049 0.008,1050 15.438,1051 7.793,1052 11.576,1053 0.229,1054 14.353,1055 1.85,1056 8.712,1057 11.036,1059 17.739,1060 8.633,1061 13.031,1062 -0.405,1063 16.217,1064 0.394,1065 10.038,1066 12.751,1067 0.001,1068 20.314,1069 9.944,1070 3.367,1071 -0.522,1072 18.1,1073 -0.952,1074 11.084,1075 14.108,1077 22.751,1078 10.989,1079 2.699,1080 12.454,1081 19.998,1082 -1.158,1083 12.323,1084 15.718,1086 25.284,1087 12.218,1088 2.494,1089 9.111,1090 21.906,1091 4.737,1092 13.462,1093 17.182,1095 27.773,1096 13.352,1097 2.106,1098 7.746,1099 23.824,1100 3.682,1101 14.674,1102 18.753,1104 30.295,1105 14.555,1106 1.812,1107 6.243,1108 25.748,1109 3.47,1110 15.852,1111 20.267,1113 32.803,1114 15.727,1115 1.566,1116 4.698,1117 27.679,1118 2.903,1119 17.059,1120 21.824,1122 35.324,1123 16.925,1124 1.418,1125 3.772,1126 29.615,1127 2.666,1128 18.254,1129 23.36,1131 37.84,1132 18.113,1133 6066,1134 10054,1135 19.474,1136 29.256,1137 41.626,1138 42.064,1139 42.506,1140 41.507,1141 41.559,1142 57.845,1143 0.8,1144 117.603,1145 40.532,1146 5.572,1147 5.38,1148 6.986,1149 5.431,1150 5.367,1151 7.737,1152 0.8,1153 19.879,1154 5.337,1155 6.625,1156 1.487,1157 1.502,1158 1.518,1159 1.482,1160 1.484,1161 2.066,1162 0.029,1163 4.2,1164 1.448,1165 4.142,1166 4.155,1167 4.125,1168 4.042,1169 6.456,1170 4.057,1171 3.845,1172 3.876,1173 3.773,1174 3.791,1175 5.228,1176 3.783,1177 3.807,1178 3.847,1179 3.745,1180 3.696,1181 4.771,1182 3.707,1183 3.543,1184 3.606,1185 3.403,1186 3.312,1187 4.721,1188 3.321,1189 3.25,1190 3.294,1191 3.182,1192 3.067,1193 4.539,1194 3.087,1195 2.936,1196 3.002,1197 2.846,1198 2.74,1199 4.148,1200 2.744,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.741,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.171,1214 0.121,1215 0.254,1216 0.156,1217 0.12,1218 4.78,1219 0.169,1220 3.38,1221 0.014,1222 7.123,1223 0.445,1224 4.357,1225 0.119,1226 3.367,1227 4.737,1228 0.4,1229 12.454,1230 3.337,1231 1.967,1232 1.947,1233 2.058,1234 2.04,1235 1.188,1236 2.043,1237 1.872,1238 1.845,1239 1.992,1240 1.986,1241 1.056,1242 1.978,1243 1.753,1244 1.716,1245 1.854,1246 1.912,1247 1.015,1248 1.911,1249 1.456,1250 1.391,1251 1.688,1252 1.723,1253 0.821,1254 1.716,1255 1.283,1256 1.272,1257 1.375,1258 1.452,1259 0.433,1260 1.423,1261 0.886,1262 0.827,1263 1.181,1264 1.145,1265 0.218,1266 1.127,1267 0.886,1268 0.821,1269 1.181,1270 1.076,1271 0.218,1272 1.107,1273 0.872,1274 0.821,1275 1.084,1276 1.062,1277 0.162,1278 1.107,1279 4.043,1281 5.342,1282 2.398,1283 6.864,1284 4.844,1285 8.491,1286 7.081,1287 10.179,1294 9.14,1295 0.432,1296 3.151,1305 28.181,1306 63.797,1307 140.449,1308 165.748,1309 184.968,1310 198.477,1311 204.477,1312 31.555,1313 7.425,1314 71.18,1315 71.18,1316 23,1317 12.669,1318 4.524,1319 3.585,1320 35.408,1321 72,1322 95,1323 0.237,1324 172.145,1325 285.7,1326 411.794,1327 14964,1329 17.062,1330 0.682,1331 0.541,1332 17.062,1333 13.515,1334 12.381,1335 0.442,1336 0.29,1337 8.011,1338 11.981,1339 7.878,1340 6.528,1341 12.381,1342 8.113,1343 10.444,1344 0.275,1345 0.147,1346 10.444,1347 5.591,1348 9.13,1349 0.169,1350 0.074,1351 9.13,1352 3.991,1353 8.163,1354 0.105,1355 0.037,1356 8.163,1357 2.915,1358 7.148,1359 0.067,1360 0.019,1361 7.148,1362 2.066,1363 0.351,1364 77.174,1365 0.227,1366 23.531,1367 0.719,1368 132,1369 375.508,1370 143.03,1371 365.595,1372 513.57,1373 346,1374 158,1375 387.408,1376 169.531,1377 392.841,1378 582.08,1379 372,1380 4.523}
{0 CHEMBL1908391,1 1.54,2 16.667,3 4.475,4 20.029,5 146.666,6 7.556,7 0.575,8 4.28,9 4.407,10 3.903,11 3.864,12 5.339,13 3.817,14 4.812,15 4.999,16 4.255,17 4.246,18 5.814,19 4.182,20 5.037,21 5.241,22 4.236,23 4.383,24 6.005,25 4.278,26 5.175,27 5.434,28 4.202,29 4.381,30 6.092,31 4.232,32 5.086,33 5.353,34 4.21,35 4.309,36 5.994,37 4.17,38 4.875,39 5.072,40 4.12,41 4.257,42 5.876,43 4.129,44 4.947,45 5.191,46 3.976,47 4.197,48 5.882,49 4.063,50 4.807,51 5.025,52 3.998,53 4.113,54 5.832,55 4.011,56 0.043,57 1.016,58 13.973,59 5.934,60 9.96,61 7.836,62 0.303,63 1.668,64 27.936,65 9.47,66 24.758,67 13.038,68 0.251,69 1.964,70 33.846,71 12.832,72 34.462,73 17.464,74 0.369,75 2.105,76 42.94,77 15.603,78 55.382,79 21.355,80 0.403,81 1.937,82 44.21,83 14.615,84 51.009,85 19.32,86 0.315,87 1.685,88 33.664,89 12.227,90 36.653,91 15.636,92 0.338,93 1.669,94 35.001,95 12.794,96 42.861,97 17.207,98 0.283,99 1.47,100 28.205,101 10.532,102 40.085,103 14.224,104 10,105 55,106 0.242,107 0.57,108 0.746,109 0.823,110 0.855,111 0.855,112 3.615,113 0.972,114 -4.35,115 -4.29,116 -4.05,119 42.4,120 1,124 1,125 5,142 9,143 4,144 2,145 2,146 1,151 1,158 1,162 1,172 11,175 6,178 2,180 6,183 11,186 1,187 6,192 5,195 7,198 1,199 9,203 1,204 5,207 5,212 7,217 3,220 8,224 4,227 3,229 3,232 10,236 1,237 3,240 1,242 2,245 11,249 1,250 5,255 3,258 11,263 6,268 2,271 8,275 2730,276 24.549,277 24.549,278 24.549,279 24.549,280 24.549,281 21.675,282 30.255,283 14.579,284 25.183,285 19.776,286 19.776,287 19.776,288 19.776,289 19.776,290 15.497,291 48.345,292 7.021,293 20.793,294 4.505,295 2.417,296 1.296,297 0.803,298 0.599,299 0.599,300 4.323,305 1,306 1323,307 3.317,310 108.605,311 541.861,318 2.722,319 22.582,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 76,331 600,332 4.332,333 3.573,334 6.199,335 3.932,336 2.973,337 3.988,338 1.058,339 9.294,340 2.887,341 4.249,342 3.081,343 6.114,344 3.861,345 2.885,346 3.88,347 0.916,348 8.965,349 2.802,350 4.164,351 3.044,352 6.032,353 3.785,354 2.797,355 3.759,356 0.8,357 8.625,358 2.757,359 3.818,360 2.885,361 5.588,362 3.604,363 2.657,364 3.253,365 0.4,366 7.698,367 2.52,368 3.73,369 2.687,370 5.31,371 3.337,372 2.386,373 3.117,374 0.172,375 6.852,376 2.266,377 3.544,378 2.445,379 5.205,380 3.227,381 2.311,382 2.782,384 6.481,385 2.111,386 3.434,387 2.334,388 5.127,389 3.08,390 2.123,391 2.55,393 6.247,394 2.002,395 3.128,396 2.269,397 4.806,398 2.861,399 1.928,400 2.366,402 5.438,403 1.785,404 3.033,405 1.869,406 4.376,407 2.667,408 1.719,409 2.052,411 4.299,412 1.624,413 2.831,414 1.795,415 4.126,416 2.377,417 1.414,418 1.965,420 3.631,421 1.352,422 2.744,423 1.509,424 4.045,425 2.282,426 1.265,427 1.75,428 3.363,429 1.276,430 2.527,431 1.146,432 3.485,433 2.01,434 1.058,435 1.54,436 2.587,437 1,438 2.5,439 1.085,440 3.414,441 2,442 1,443 1.5,445 2.275,446 0.999,447 2.5,448 1,449 3.414,450 1.967,451 1,452 1.5,454 2.275,455 0.965,456 2.169,457 1,458 3.265,459 1.954,460 1,461 1.007,463 2.136,464 0.951,465 17.567,466 0.488,467 0.814,468 0.023,469 48.25,470 1.34,471 24.5,472 0.681,473 23.75,474 0.66,475 30.923,476 0.859,477 37.633,478 0.57,479 37.039,480 1.029,481 9.517,482 0.264,483 8.013,484 0.223,485 0.076,487 0.302,493 0.847,494 1.335,495 0.773,496 0.989,497 0.621,498 0.935,499 1.017,500 1.057,501 0.905,502 0.904,503 0.59,504 0.866,505 1.054,506 1.176,507 1.004,508 1.09,509 0.864,510 1.136,511 0.966,512 0.962,513 0.868,514 0.927,515 0.981,516 0.975,517 1.191,518 0.818,519 0.961,520 0.818,521 1.229,522 0.738,523 0.919,524 1.09,525 1.331,526 1.281,527 1.023,528 1.152,529 0.965,530 0.934,531 0.988,532 0.989,533 1.209,534 0.973,535 1.103,536 1.006,537 0.833,538 0.954,539 1.479,540 0.981,541 7.5,542 0.197,543 3.556,544 1.847,545 1.779,546 0.934,547 0.696,548 0.635,549 0.349,550 0.263,551 23949,552 56104,553 2.137,554 45.5,555 3,556 22,557 1,558 2,559 2,564 1.769,565 2.038,566 3.996,567 0.148,573 101.608,574 1.54,575 3.627,576 4.748,577 5.241,578 5.446,579 5.446,580 3.51,581 4.649,582 5.137,583 4.174,584 2629.52,585 9.002,586 45020.9,591 398.93,592 1.256,593 5.118,594 0.188,595 0.006,596 0.065,597 0.035,598 0.038,599 0.019,600 0.015,601 0.015,602 0.009,603 0.007,604 0.396,605 0.17,606 0.75,607 0.442,608 201.777,609 -0.023,610 -0.183,611 0.073,612 -0.017,613 -0.025,614 0.008,615 0.017,616 0.069,617 0.045,618 0.057,619 0.085,620 0.067,621 -0.093,622 -0.138,623 -0.136,624 -0.159,625 0.003,626 -0.182,627 0.029,628 -0.016,629 0.082,630 0.03,631 0.076,632 0.014,633 -0.053,634 0.147,635 0.193,636 0.243,637 0.016,638 0.266,639 0.04,640 -0.031,641 -0.178,642 -0.164,643 -0.035,644 -0.156,645 0.046,646 0.015,647 -0.012,648 0.003,649 -0.014,650 0.026,651 0.039,652 -0.039,653 0.045,654 -0.014,655 -0.003,656 -0.007,657 1.788,658 5.903,659 0.806,660 51.028,661 0.994,662 1.123,663 3.124,664 9.76,665 0.686,666 3.714,667 4.025,668 4.263,669 4.489,670 4.71,671 4.718,672 4.844,673 4.977,674 5.043,675 5.142,676 9.392,677 0.642,678 498.71,679 3.714,680 5.252,681 6.089,682 6.95,683 7.799,684 8.661,685 9.516,686 10.378,687 11.235,688 12.098,689 9.1,692 2,696 1,697 1,699 2,704 12,705 2,708 1,709 8,711 23,718 1,724 1,731 66,733 24,734 2,735 40,737 70,738 28,739 20,740 5,741 7,742 1,746 5,747 5,752 1,761 21,762 7,766 1,771 1,775 1,781 30,782 7,783 2,784 8,785 1,790 6,794 1,795 1,805 1,811 1,812 4,836 2,840 5,842 1,844 2,848 36,854 5,855 2,859 2,863 1,870 1.5,873 1,877 17.667,878 12.383,879 7.833,880 3.857,881 4.188,882 1.501,883 1.011,884 7.711,885 12.546,886 3.98,887 4.551,888 5.082,889 5.617,890 6.097,891 6.281,892 6.643,893 7.001,894 7.329,895 7.661,896 1,897 53,898 13.307,900 5.595,901 7.565,902 25.904,904 21.283,905 2.065,906 74.333,910 329.591,911 196.276,912 75.841,914 25.145,916 31.278,917 164.998,918 354.736,919 75.841,920 17.222,921 28.539,922 92.935,923 86.963,924 63.868,925 11.771,926 325.555,928 329.591,929 240.839,930 25.145,931 31.278,933 329.591,934 25.145,937 82.976,938 124.292,939 33.571,940 31.278,941 329.591,942 100.986,943 196.276,946 329.591,947 68.024,948 134.5,949 36.022,950 58.716,951 329.591,952 100.986,953 196.276,955 0.581,956 0.331,957 0.172,958 0.097,959 26,960 11,961 0.1,962 7,964 1,965 4.888,966 331.774,968 29,969 178.117,970 1,974 24.572,975 11.297,976 6.371,978 100.986,979 23.234,980 8.849,983 1.535,984 7.236,986 36.022,987 626.853,988 52.5,993 12.903,997 -0.121,999 65.618,1000 74.102,1001 0.255,1002 0.6,1003 0.786,1004 0.867,1005 0.901,1006 0.901,1007 5.208,1008 1.928,1009 6.057,1010 6.247,1011 4.71,1012 5.239,1013 1.796,1014 6.812,1015 4.62,1016 6.393,1017 1.719,1018 7.58,1019 5.438,1020 4.205,1021 4.89,1022 0.57,1023 7.554,1024 4.092,1025 7.676,1026 1.414,1027 9.195,1028 4.299,1029 6.26,1030 7.355,1031 1.605,1032 10.608,1033 6.097,1034 8.99,1035 1.265,1036 10.863,1037 3.631,1038 6.553,1039 7.817,1040 0.581,1041 12.146,1042 6.372,1043 10.333,1044 1.058,1045 12.565,1046 3.363,1047 8.054,1048 9.736,1049 1.567,1050 14.684,1051 7.834,1052 11.696,1053 1,1054 14.29,1055 2.587,1056 8.721,1057 10.592,1058 0.515,1059 16.567,1060 8.486,1061 13.075,1062 1,1063 16.03,1064 2.275,1065 9.983,1066 12.258,1067 1.582,1068 18.907,1069 9.714,1070 2.973,1071 1,1072 17.783,1073 2.275,1074 10.841,1075 13.328,1076 0.441,1077 20.953,1078 10.556,1079 2.885,1080 9.294,1081 19.546,1082 2.136,1083 11.991,1084 14.86,1085 1.624,1086 23.211,1087 11.676,1088 2.797,1089 8.965,1090 21.316,1091 3.988,1092 12.947,1093 16.052,1094 0.373,1095 25.337,1096 12.614,1097 2.657,1098 8.625,1099 23.091,1100 3.88,1101 14.047,1102 17.51,1103 1.682,1104 27.561,1105 13.686,1106 2.386,1107 7.698,1108 24.873,1109 3.759,1110 15.054,1111 18.772,1112 0.314,1113 29.726,1114 14.672,1115 2.311,1116 6.852,1117 26.658,1118 3.253,1119 16.131,1120 20.189,1121 1.752,1122 31.937,1123 15.723,1124 2.123,1125 6.481,1126 28.447,1127 3.117,1128 17.165,1129 21.494,1130 0.264,1131 34.122,1132 16.734,1133 22116,1134 34149,1135 27.334,1136 45.273,1137 60.044,1138 60.427,1139 60.336,1140 59.378,1141 59.424,1142 77.22,1143 6.694,1144 166.135,1145 56.659,1146 5.332,1147 5.573,1148 6.001,1149 5.046,1150 4.973,1151 6.988,1152 2.117,1153 15.614,1154 4.887,1155 14.416,1156 1.501,1157 1.511,1158 1.508,1159 1.484,1160 1.486,1161 1.93,1162 0.167,1163 4.153,1164 1.416,1165 4.027,1166 4.062,1167 4.233,1168 3.955,1169 7.429,1170 3.943,1171 3.942,1172 3.977,1173 3.933,1174 3.88,1175 4.977,1176 3.865,1177 3.89,1178 3.928,1179 3.835,1180 3.821,1181 4.798,1182 3.816,1183 3.794,1184 3.855,1185 3.742,1186 3.604,1187 4.711,1188 3.614,1189 3.634,1190 3.667,1191 3.683,1192 3.589,1193 4.654,1194 3.535,1195 3.41,1196 3.465,1197 3.336,1198 3.213,1199 4.378,1200 3.233,1201 3.241,1202 3.334,1203 3.081,1204 3.036,1205 4.033,1206 3.029,1207 3.111,1208 3.206,1209 2.911,1210 2.941,1211 3.913,1212 2.91,1213 0.108,1214 0.089,1215 0.155,1216 0.098,1217 0.074,1218 4.332,1219 0.1,1220 3.573,1221 0.026,1222 6.199,1223 0.232,1224 3.932,1225 0.072,1226 2.973,1227 3.988,1228 1.058,1229 9.294,1230 2.887,1231 1.953,1232 1.927,1233 2.065,1234 2.068,1235 1.323,1236 2.07,1237 1.903,1238 1.874,1239 2.02,1240 2.021,1241 1.16,1242 2.023,1243 1.847,1244 1.814,1245 1.951,1246 1.963,1247 1.125,1248 1.962,1249 1.752,1250 1.681,1251 1.947,1252 1.937,1253 0.997,1254 1.947,1255 1.352,1256 1.319,1257 1.591,1258 1.595,1259 0.825,1260 1.589,1261 1.3,1262 1.283,1263 1.547,1264 1.491,1265 0.735,1266 1.504,1267 1.254,1268 1.198,1269 1.513,1270 1.466,1271 0.619,1272 1.461,1273 1.22,1274 1.134,1275 1.398,1276 1.376,1277 0.559,1278 1.429,1279 4.394,1281 5.707,1282 2.398,1283 7.201,1284 4.595,1285 8.771,1286 6.581,1287 10.379,1289 4.194,1295 5.273,1296 6.421,1300 4.81,1305 42.352,1306 101.608,1307 239.381,1308 313.381,1309 345.91,1310 359.42,1311 359.42,1312 53.723,1313 8.358,1314 73.39,1315 101.63,1316 29,1317 12.647,1318 4.644,1319 3.755,1320 54.839,1321 202,1322 216,1323 0.127,1324 263.153,1325 449.18,1326 633.854,1327 63861,1329 24.907,1330 0.692,1331 0.594,1332 25.261,1333 21.386,1334 17.53,1335 0.438,1336 0.324,1337 12.011,1338 16.537,1339 11.568,1340 9.629,1341 17.984,1342 12.961,1343 15.845,1344 0.288,1345 0.182,1346 16.422,1347 10.023,1348 13.209,1349 0.189,1350 0.102,1351 13.848,1352 7.174,1353 10.592,1354 0.12,1355 0.056,1356 11.326,1357 4.889,1358 8.735,1359 0.079,1360 0.032,1361 9.366,1362 3.524,1363 0.209,1364 113.333,1365 0.191,1366 33.937,1367 0.326,1368 190,1369 491.842,1370 227.044,1371 508.434,1372 702.74,1373 478,1374 220,1375 505.346,1376 253.356,1377 534.756,1378 775.35,1379 500,1380 5}
{0 CHEMBL1908392,1 1.468,2 14.139,3 4.725,4 22.326,5 143.007,6 7.189,7 0.55,8 4.296,9 4.422,10 3.839,11 3.839,12 5.374,13 3.814,14 4.829,15 5.017,16 4.193,17 4.236,18 5.841,19 4.191,20 5.082,21 5.287,22 4.266,23 4.404,24 6.091,25 4.326,26 5.194,27 5.429,28 4.24,29 4.417,30 6.189,31 4.315,32 5.191,33 5.436,34 4.277,35 4.386,36 6.24,37 4.315,38 5.107,39 5.294,40 4.281,41 4.439,42 6.214,43 4.362,44 5.207,45 5.442,46 4.18,47 4.463,48 6.186,49 4.337,50 5.154,51 5.421,52 3.926,53 4.318,54 6.018,55 4.158,56 0.05,57 0.996,58 14.24,59 5.91,60 11.343,61 8.044,62 0.309,63 1.633,64 26.445,65 9.271,66 23.903,67 13.296,68 0.387,69 1.987,70 35.058,71 12.805,72 38.967,73 17.929,74 0.358,75 2.094,76 40.579,77 15.014,78 57.73,79 21.288,80 0.497,81 2.048,82 41.823,83 13.987,84 72.416,85 19.646,86 0.429,87 1.978,88 35.939,89 13.536,90 64.075,91 18.251,92 0.348,93 2.119,94 40.822,95 15.806,96 62.944,97 22.335,98 0.384,99 1.941,100 40.207,101 14.942,102 58.33,103 21.447,104 17,105 56,106 0.23,107 0.542,108 0.68,109 0.797,110 0.838,111 0.838,112 3.616,113 0.916,114 -4.14,115 -4.09,116 -3.87,119 43.3,124 2,125 5,142 13,143 3,144 2,152 1,153 1,157 1,158 1,172 13,174 1,175 6,179 1,180 4,183 14,186 3,187 7,192 3,195 12,199 5,202 2,204 5,207 10,211 1,212 7,217 6,220 17,223 2,224 3,229 8,232 20,236 1,237 2,242 6,245 19,249 1,250 5,258 12,263 7,266 2,271 3,275 2470,276 24.499,277 24.499,278 24.499,279 24.499,280 24.499,281 21.627,282 26.138,283 14.482,284 24.952,285 19.744,286 19.744,287 19.744,288 19.744,289 19.744,290 15.418,291 36.272,292 6.91,293 20.467,294 4.598,295 2.6,296 1.72,297 0.972,298 0.709,299 0.709,300 4.321,305 1,306 1121,307 3.937,310 90.437,311 513.421,314 169.554,318 2.179,319 27.518,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 76.5,331 509,332 4.707,333 3.757,334 6.985,335 4.271,336 3.294,337 4.626,338 1.989,339 11.89,340 3.219,341 4.238,342 3.412,343 6.342,344 3.919,345 2.962,346 3.835,347 0.835,348 9.444,349 2.832,350 4.139,351 2.936,352 6.132,353 3.722,354 2.746,355 3.642,356 0.8,357 8.965,358 2.683,359 3.821,360 2.898,361 5.49,362 3.546,363 2.61,364 3.167,365 0.6,366 7.348,367 2.458,368 3.605,369 2.71,370 5.401,371 3.371,372 2.4,373 3.006,374 0.543,375 6.867,376 2.306,377 3.553,378 2.444,379 5.322,380 3.11,381 2.14,382 2.712,384 6.439,385 2.079,386 3.347,387 2.365,388 5.01,389 3.045,390 2.109,391 2.537,393 5.9,394 1.977,395 3.205,396 2.27,397 4.795,398 2.777,399 1.822,400 2.432,402 5.119,403 1.724,404 3.016,405 1.915,406 4.77,407 2.698,408 1.732,409 2.213,411 4.998,412 1.659,413 2.96,414 1.566,415 4.279,416 2.5,417 1.51,418 1.984,420 3.765,421 1.492,422 2.83,423 1.396,424 3.612,425 2.339,426 1.354,427 1.982,428 2.934,429 1.329,430 2.564,431 1.327,432 3.548,433 2.019,434 1.04,435 1.524,436 2.583,437 1.015,438 2.5,439 1.146,440 3.526,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1.117,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.064,457 1,458 3.414,459 1.967,460 1,461 1,463 2.136,464 0.965,465 17.167,466 0.477,467 0.853,468 0.024,469 48.25,470 1.34,471 24.5,472 0.681,473 23.75,474 0.66,475 30.662,476 0.852,477 38.033,478 0.568,479 40.849,480 1.135,481 9.805,482 0.272,483 7.686,484 0.213,485 0.097,487 0.332,493 0.878,494 1.391,495 0.825,496 1.08,497 0.734,498 0.966,499 0.94,500 1.047,501 0.906,502 0.863,503 0.574,504 0.858,505 1.059,506 1.034,507 1.051,508 1.027,509 0.964,510 1.03,511 0.91,512 1.088,513 0.935,514 1.062,515 0.993,516 1.013,517 1.435,518 0.779,519 0.875,520 0.728,521 1.506,522 0.729,523 1.401,524 1.029,525 1.141,526 1.047,527 1.583,528 1.068,529 0.829,530 1.04,531 1.031,532 1.092,533 0.783,534 1.09,535 0.866,536 0.931,537 1.045,538 1.013,539 0.914,540 1.048,541 6.5,542 0.231,543 4,544 2.729,545 2.178,546 1.427,547 0.791,548 0.415,549 0.41,550 0.335,551 20863,552 47913,553 2.12,554 46.3,556 29,559 2,564 1.774,565 2,566 3.681,567 0.121,573 98.357,574 1.468,575 3.466,576 4.346,577 5.094,578 5.357,579 5.357,580 3.155,581 4.649,582 5.14,583 3.925,584 2473.04,585 9.034,586 39940,591 406.428,592 1.352,593 5.109,594 0.162,595 0.007,596 0.071,597 0.047,598 0.04,599 0.024,600 0.013,601 0.008,602 0.011,603 0.01,604 0.394,605 0.33,606 0.75,607 0.496,608 197.391,609 -0.04,610 -0.214,611 0.056,612 -0.047,613 -0.066,614 0.003,615 0.009,616 0.109,617 0.035,618 0.104,619 0.043,620 0.082,621 -0.033,622 0.041,623 -0.092,624 -0.046,625 -0.017,626 -0.07,627 0.058,628 -0.104,629 0.044,630 -0.069,631 0.063,632 -0.024,633 -0.106,634 0.207,635 0.151,636 0.232,637 -0.03,638 0.229,639 -0.143,640 0.014,641 -0.174,642 -0.045,643 -0.145,644 -0.105,645 -0.012,646 -0.063,647 -0.073,648 -0.079,649 0.012,650 -0.083,651 -0.053,652 0.006,653 -0.062,654 -0.016,655 -0.096,656 -0.038,657 1.593,658 5.87,659 0.75,660 40.701,661 0.995,662 1.124,663 2.914,664 8.489,665 0.669,666 3.714,667 4.043,668 4.331,669 4.605,670 4.852,671 4.89,672 5.043,673 5.17,674 5.236,675 5.303,676 8.169,677 0.633,678 481.65,679 3.714,680 5.263,681 6.12,682 7.002,683 7.879,684 8.768,685 9.653,686 10.546,687 11.437,688 12.333,689 7.5,692 2,696 1,697 1,698 1,703 2,704 13,706 1,709 5,711 22,714 1,728 1,731 67,733 24,734 3,735 40,737 71,738 29,739 20,740 5,741 13,742 1,746 5,747 6,761 22,762 7,766 2,771 1,774 1,775 2,781 31,782 6,783 2,784 7,790 5,794 0.8,795 2,807 1,811 1,812 4,815 1,827 1,836 2,840 4,844 2,848 36,853 1,854 5,859 3,870 3,872 1,873 1,877 18,878 12.5,879 7.861,880 3.921,881 3.698,882 1.46,883 0.995,884 7.19,885 11.742,886 3.989,887 4.588,888 5.194,889 5.81,890 6.368,891 6.687,892 7.187,893 7.655,894 7.991,895 8.398,896 1,897 58,898 13.343,900 5.685,901 7.639,902 25.778,904 21.313,905 2.139,906 77,910 341.362,911 174.576,912 42.944,914 67.828,917 174.576,918 409.19,919 42.944,920 16.793,921 13.653,922 123.191,923 75.29,924 54.277,925 2.144,926 341.362,928 341.362,929 217.52,930 67.828,933 341.362,934 67.828,937 53.473,938 164.047,941 341.362,942 110.772,943 174.576,946 341.362,947 34.592,948 149.357,949 16.786,950 84.614,951 341.362,952 110.772,953 174.576,955 0.582,956 0.343,957 0.187,958 0.107,959 27,960 12,961 0.085,962 6,963 1,964 1.074,965 4.645,966 350.416,967 0.074,968 27,969 174.117,974 24.262,975 10.668,976 5.39,977 1.757,978 93.987,979 25.284,981 3.059,984 3.22,986 59.469,987 626.71,988 53,993 12.87,996 4.949,997 0.752,999 66.65,1000 75.308,1001 0.242,1002 0.571,1003 0.716,1004 0.84,1005 0.883,1006 0.883,1007 5.228,1008 1.822,1009 6.103,1010 5.9,1011 4.727,1012 5.276,1013 2.386,1014 6.919,1015 4.658,1016 6.43,1017 1.732,1018 7.663,1019 5.119,1020 4.29,1021 5.017,1022 1.803,1023 7.832,1024 4.167,1025 7.733,1026 1.51,1027 9.326,1028 4.998,1029 6.323,1030 7.469,1031 3.144,1032 10.965,1033 6.185,1034 9.072,1035 1.354,1036 11.051,1037 3.765,1038 6.723,1039 8.087,1040 3.237,1041 12.764,1042 6.54,1043 10.447,1044 1.04,1045 12.817,1046 2.934,1047 8.215,1048 9.999,1049 4.307,1050 15.426,1051 8.017,1052 11.848,1053 1,1054 14.613,1055 2.583,1056 9.009,1057 11.061,1058 4.691,1059 17.605,1060 8.776,1061 13.271,1062 1,1063 16.432,1064 2.275,1065 10.286,1066 12.742,1067 5.594,1068 20.119,1069 10.036,1070 3.294,1071 1,1072 18.269,1073 2.275,1074 11.273,1075 14.035,1076 6.118,1077 22.463,1078 10.995,1079 2.962,1080 11.89,1081 20.121,1082 2.136,1083 12.467,1084 15.615,1085 6.925,1086 24.935,1087 12.171,1088 2.746,1089 9.444,1090 21.985,1091 4.626,1092 13.547,1093 17.026,1094 7.524,1095 27.349,1096 13.226,1097 2.61,1098 8.965,1099 23.86,1100 3.835,1101 14.714,1102 18.566,1103 8.277,1104 29.812,1105 14.374,1106 2.4,1107 7.348,1108 25.744,1109 3.642,1110 15.838,1111 20.036,1112 8.915,1113 32.257,1114 15.477,1115 2.14,1116 6.867,1117 27.635,1118 3.167,1119 17.001,1120 21.562,1121 9.639,1122 34.721,1123 16.619,1124 2.109,1125 6.439,1126 29.533,1127 3.006,1128 18.149,1129 23.06,1130 10.3,1131 37.181,1132 17.747,1133 19451,1134 29678,1135 27.046,1136 44.836,1137 60.927,1138 61.273,1139 61.936,1140 60.111,1141 59.98,1142 78.56,1143 9.532,1144 172.334,1145 57.922,1146 5.707,1147 5.757,1148 6.787,1149 5.338,1150 5.294,1151 7.626,1152 3.465,1153 19.314,1154 5.219,1155 16.344,1156 1.523,1157 1.532,1158 1.548,1159 1.503,1160 1.5,1161 1.964,1162 0.238,1163 4.308,1164 1.448,1165 4.148,1166 4.176,1167 4.116,1168 4.064,1169 7.427,1170 4.073,1171 3.951,1172 3.992,1173 3.895,1174 3.862,1175 6.473,1176 3.864,1177 3.866,1178 3.916,1179 3.795,1180 3.796,1181 4.953,1182 3.791,1183 3.83,1184 3.881,1185 3.724,1186 3.639,1187 4.806,1188 3.651,1189 3.545,1190 3.6,1191 3.462,1192 3.347,1193 4.708,1194 3.363,1195 3.434,1196 3.477,1197 3.352,1198 3.286,1199 4.398,1200 3.3,1201 3.248,1202 3.348,1203 3.122,1204 3.014,1205 4.323,1206 3.029,1207 3.128,1208 3.206,1209 2.998,1210 2.941,1211 4.131,1212 2.934,1213 0.118,1214 0.094,1215 0.175,1216 0.107,1217 0.082,1218 4.707,1219 0.116,1220 3.757,1221 0.05,1222 6.985,1223 0.297,1224 4.271,1225 0.08,1226 3.294,1227 4.626,1228 1.989,1229 11.89,1230 3.219,1231 1.975,1232 1.953,1233 2.062,1234 2.061,1235 1.307,1236 2.061,1237 1.901,1238 1.872,1239 2.011,1240 2.028,1241 1.181,1242 2.029,1243 1.864,1244 1.835,1245 1.997,1246 1.991,1247 1.097,1248 1.995,1249 1.783,1250 1.71,1251 1.973,1252 1.949,1253 1.06,1254 1.96,1255 1.515,1256 1.478,1257 1.689,1258 1.733,1259 0.831,1260 1.716,1261 1.444,1262 1.39,1263 1.584,1264 1.679,1265 0.825,1266 1.657,1267 1.214,1268 1.115,1269 1.561,1270 1.502,1271 0.678,1272 1.527,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.643,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.241,1284 4.844,1285 8.845,1286 7.034,1287 10.493,1289 3.925,1294 10.784,1295 4.209,1300 6.191,1305 42.385,1306 98.357,1307 232.217,1308 291.203,1309 341.309,1310 358.918,1311 358.918,1312 61.566,1313 8.044,1314 75.17,1315 75.17,1316 29,1317 12.859,1318 4.644,1319 3.807,1320 54.555,1321 177,1322 206,1323 0.148,1324 258.817,1325 445.76,1326 623.272,1327 36506,1329 25.07,1330 0.696,1331 0.575,1332 25.07,1333 20.685,1334 17.491,1335 0.437,1336 0.305,1337 12.052,1338 16.916,1339 11.711,1340 9.728,1341 17.491,1342 12.211,1343 15.775,1344 0.282,1345 0.166,1346 15.775,1347 9.269,1348 13.522,1349 0.18,1350 0.09,1351 13.522,1352 6.777,1353 11.163,1354 0.113,1355 0.046,1356 11.163,1357 4.555,1358 9.392,1359 0.074,1360 0.026,1361 9.392,1362 3.272,1363 0.236,1364 108.85,1365 0.192,1366 33.139,1367 0.396,1368 192,1369 496.799,1370 206.781,1371 490.006,1372 679.96,1373 460,1374 227,1375 507.779,1376 243.115,1377 520.327,1378 761.28,1379 489,1380 5}
{0 CHEMBL1908393,1 1.667,2 20.217,3 3.792,4 14.379,5 168.034,6 7.741,7 0.333,8 4.52,9 4.625,10 4.112,11 4.011,12 5.635,13 4.019,14 5.08,15 5.239,16 4.456,17 4.378,18 6.203,19 4.372,20 5.337,21 5.525,22 4.583,23 4.5,24 6.516,25 4.488,26 5.359,27 5.562,28 4.48,29 4.493,30 6.572,31 4.447,32 5.34,33 5.554,34 4.478,35 4.514,36 6.429,37 4.459,38 5.335,39 5.522,40 4.52,41 4.524,42 6.537,43 4.482,44 5.379,45 5.593,46 4.468,47 4.472,48 6.584,49 4.422,50 5.262,51 5.485,52 4.382,53 4.361,54 6.46,55 4.315,56 0.166,57 1.298,58 15.93,59 7.845,60 19.124,61 9.393,62 0.692,63 2.065,64 32.94,65 12.666,66 64.573,67 15.58,68 1.234,69 2.512,70 46.336,71 15.613,72 111.312,73 19.578,74 1.411,75 2.441,76 48.588,77 16.33,78 155.365,79 20.867,80 1.157,81 2.373,82 48.211,83 17.455,84 115.804,85 22.674,86 1.093,87 2.488,88 45.714,89 17.118,90 133.185,91 21.413,92 1.484,93 2.589,94 50.732,95 16.613,96 165.059,97 21.527,98 1.227,99 2.366,100 45.289,101 15.112,102 150.791,103 19.548,104 27,105 72,106 0.251,107 0.603,108 0.802,109 0.876,110 0.879,111 0.879,112 3.853,113 0.904,114 -3.05,115 -3.05,116 -2.93,119 41.5,121 4,123 1,124 1,125 6,127 1,135 3,138 1,142 6,143 1,144 6,145 1,146 1,158 2,172 7,175 12,178 2,180 6,183 5,186 2,187 11,192 7,195 5,198 4,199 6,202 2,203 1,207 8,211 2,212 6,215 1,220 17,223 1,224 8,229 4,232 10,236 3,237 8,242 5,245 2,249 1,250 7,255 1,258 5,262 1,263 5,266 2,268 1,271 8,275 5294,276 31.349,277 31.349,278 31.349,279 31.349,280 31.349,281 28.666,282 42.521,283 18.361,284 32.28,285 25.074,286 25.074,287 25.074,288 25.074,289 25.074,290 20.775,291 55.757,292 8.624,293 26.493,294 4.69,295 2.354,296 1.034,297 0.546,298 0.521,299 0.521,300 4.557,305 1,306 2039,307 4.743,308 97.418,311 820.877,315 247.167,318 3.28,319 71.18,322 0.75,323 0.33,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.69,330 103,331 930,332 4.765,333 4.332,334 7.978,335 4.682,336 3.677,337 4.513,338 2.166,339 15.051,340 3.692,341 4.577,342 3.406,343 6.59,344 4.103,345 3.14,346 3.952,347 1.722,348 10.546,349 3.025,350 4.245,351 3.365,352 6.116,353 3.817,354 2.874,355 3.864,356 1.013,357 8.963,358 2.705,359 3.982,360 3.227,361 6.003,362 3.591,363 2.634,364 3.488,365 0.86,366 8.521,367 2.529,368 3.963,369 3.11,370 5.567,371 3.565,372 2.618,373 3.267,374 0.86,375 7.375,376 2.452,377 3.605,378 2.927,379 5.387,380 3.435,381 2.519,382 2.926,383 0.86,384 6.965,385 2.305,386 3.521,387 2.883,388 5.34,389 3.248,390 2.299,391 2.757,392 0.86,393 6.956,394 2.17,395 3.409,396 2.606,397 5.181,398 3.073,399 2.134,400 2.522,401 0.8,402 6.095,403 1.989,404 3.3,405 2.406,406 5.063,407 2.932,408 1.989,409 2.393,410 0.215,411 5.845,412 1.867,413 3.101,414 2.35,415 4.848,416 2.685,417 1.751,418 2.241,419 0.109,420 4.758,421 1.664,422 3.025,423 2.313,424 4.569,425 2.645,426 1.642,427 2.144,428 4.565,429 1.587,430 2.834,431 2.232,432 4.535,433 2.48,434 1.553,435 1.966,436 3.9,437 1.453,438 2.786,439 2.156,440 4.146,441 2.451,442 1.431,443 1.805,445 3.633,446 1.435,447 2.746,448 1.808,449 3.928,450 2.366,451 1.417,452 1.734,454 3.371,455 1.33,456 2.581,457 1.501,458 3.7,459 2.285,460 1.386,461 1.587,463 3.127,464 1.232,465 21.171,466 0.46,467 1.089,468 0.024,469 54.75,470 1.19,471 24,472 0.522,473 30.75,474 0.668,475 46.072,476 1.002,477 51.429,478 0.627,479 51.461,480 1.119,481 10.944,482 0.238,483 11.396,484 0.248,485 0.082,486 0.024,487 0.302,488 1,491 1,493 0.714,494 1.192,495 0.719,496 1.181,497 0.549,498 0.995,499 0.996,500 1.092,501 0.902,502 1.042,503 0.696,504 0.963,505 1.116,506 1.072,507 0.971,508 1,509 1.01,510 0.948,511 1.028,512 0.842,513 1.059,514 0.958,515 1.04,516 1.004,517 0.853,518 0.804,519 0.834,520 0.894,521 0.885,522 0.874,523 0.983,524 1.11,525 0.982,526 1.127,527 0.916,528 1.077,529 1.027,530 1.04,531 1.021,532 0.983,533 0.994,534 0.998,535 0.994,536 1.073,537 0.953,538 1.007,539 1.061,540 0.97,541 10,542 0.396,543 5,544 3.201,545 2.874,546 1.626,547 1.044,548 0.959,549 0.6,550 0.345,551 46200,552 129162,553 2.112,554 43.9,555 4,556 25,558 1,559 2,561 2,562 2,564 1.829,565 1.993,566 4.232,567 0.127,573 136.718,574 1.667,575 4.003,576 5.323,577 5.812,578 5.836,579 5.836,580 3.754,581 4.942,582 5.488,583 4.441,584 4596.73,585 9.714,586 94747.1,591 521.319,592 1.434,593 5.459,594 0.196,595 0.007,596 0.072,597 0.043,598 0.044,599 0.024,600 0.015,601 0.015,602 0.01,603 0.006,604 0.432,605 0.33,606 0.5,607 0.588,608 277.171,609 -0.044,610 -0.128,611 0.054,612 -0.078,613 -0.027,614 -0.001,615 -0.088,616 -0.08,617 -0.007,618 -0.023,619 -0.006,620 0.001,621 -0.057,622 -0.054,623 -0.001,624 -0.021,625 -0.033,626 0.005,627 -0.019,628 0.095,629 -0.083,630 0.01,631 0.009,632 -0.042,633 0.027,634 0.071,635 0.13,636 0.115,637 -0.009,638 0.142,639 -0.024,640 -0.144,641 -0.035,642 -0.104,643 0.03,644 -0.082,645 0.01,646 -0.055,647 -0.022,648 -0.012,649 0.029,650 -0.026,651 0.037,652 0.001,653 0.052,654 -0.023,655 0.03,656 0.013,657 2.507,658 7.243,659 0.674,660 81.323,661 1.017,662 1.134,663 1.816,664 3.297,665 0.653,666 3.951,667 4.29,668 4.554,669 4.771,670 4.984,671 5.05,672 5.159,673 5.318,674 5.451,675 5.472,676 11.185,677 0.635,678 634.74,679 3.951,680 5.509,681 6.372,682 7.256,683 8.137,684 9.029,685 9.92,686 10.817,687 11.714,688 12.617,689 4.9,692 1,696 2,699 1,703 2,704 7,705 1,709 6,711 17,729 3,730 1,731 82,733 21,734 2,735 51,737 87,738 34,739 15,740 7,741 5,742 4,746 6,747 7,753 1,754 1,755 4,758 5,761 21,762 13,764 1,766 4,771 2,773 3,775 3,779 2,781 36,782 12,783 2,784 12,790 4,794 0.833,795 6,805 1,809 1,812 5,816 1,826 2,831 4,836 1,839 1,840 5,844 1,846 2,848 46,854 10,855 2,856 4,858 1,859 1,860 1,869 2,870 7.3,873 2,874 1,875 3,877 23.083,878 14.852,879 10.111,880 4.986,881 3.889,882 1.434,883 0.978,884 10.07,885 12.846,886 4.167,887 4.727,888 5.264,889 5.791,890 6.328,891 6.629,892 7.005,893 7.429,894 7.833,895 8.028,896 0.929,897 75,898 17.28,900 7.691,901 7.933,902 32.375,904 27.057,905 2.433,906 111.917,910 400.217,911 187.363,912 55.931,914 94.289,915 29.92,917 187.363,918 494.507,919 85.852,920 10.883,921 68.433,922 85.286,923 102.012,924 82.74,925 29.92,926 388.446,928 400.217,929 243.294,930 124.21,933 383.053,934 130.374,935 11,937 82.749,938 112.574,939 47.971,941 430.138,942 150.221,943 187.363,946 402.397,947 79.967,948 108.341,949 36.022,950 140.995,951 400.217,952 180.141,953 187.363,955 0.583,956 0.341,957 0.178,958 0.094,959 34,960 15,961 0.138,962 12,963 1,964 1.065,965 5.607,966 473.184,967 0.065,968 31,969 245.329,974 32.235,975 14.37,976 7.822,977 1.186,978 180.141,979 10.76,980 4.438,984 0.821,986 36.022,987 767.721,988 63.5,993 25.921,995 4.417,997 -0.552,999 83.418,1000 92.987,1001 0.262,1002 0.63,1003 0.837,1004 0.914,1005 0.918,1006 0.918,1007 5.435,1008 2.134,1009 6.372,1010 6.956,1011 4.977,1012 5.416,1013 3.133,1014 7.223,1015 4.881,1016 6.64,1017 1.989,1018 7.964,1019 6.095,1020 4.691,1021 5.301,1022 2.221,1023 8.48,1024 4.586,1025 7.965,1026 1.751,1027 9.674,1028 5.845,1029 6.655,1030 7.585,1031 3.91,1032 11.566,1033 6.505,1034 9.326,1035 1.642,1036 11.464,1037 4.758,1038 7.223,1039 8.289,1040 3.846,1041 13.783,1042 7.094,1043 10.725,1044 1.553,1045 13.313,1046 4.565,1047 8.695,1048 10.089,1049 5.098,1050 16.534,1051 8.54,1052 12.15,1053 1.431,1054 15.208,1055 3.9,1056 9.656,1057 11.176,1058 5.417,1059 19.092,1060 9.534,1061 13.597,1062 1.417,1063 17.141,1064 3.633,1065 10.965,1066 12.784,1067 6.463,1068 21.793,1069 10.84,1070 3.677,1071 1.386,1072 19.104,1073 3.371,1074 12.105,1075 14.063,1076 6.969,1077 24.456,1078 12.008,1079 3.14,1080 15.051,1081 21.091,1082 3.127,1083 13.373,1084 15.591,1085 7.905,1086 27.156,1087 13.286,1088 2.874,1089 10.546,1090 23.098,1091 4.513,1092 14.591,1093 16.967,1094 8.515,1095 29.85,1096 14.527,1097 2.634,1098 8.963,1099 25.12,1100 3.952,1101 15.857,1102 18.463,1103 9.386,1104 32.555,1105 15.807,1106 2.618,1107 8.521,1108 27.154,1109 3.864,1110 17.112,1111 19.892,1112 10.059,1113 35.26,1114 17.08,1115 2.519,1116 7.375,1117 29.197,1118 3.488,1119 18.385,1120 21.378,1121 10.891,1122 37.968,1123 18.367,1124 2.299,1125 6.965,1126 31.248,1127 3.267,1128 19.659,1129 22.835,1130 11.602,1131 40.677,1132 19.655,1133 42766,1134 71800,1135 34.383,1136 53.569,1137 76.341,1138 79.08,1139 78.836,1140 75.474,1141 75.53,1142 93.03,1143 18.932,1144 220.144,1145 71.614,1146 5.765,1147 6.332,1148 7.78,1149 5.786,1150 5.677,1151 7.513,1152 3.858,1153 22.84,1154 5.692,1155 21.761,1156 1.497,1157 1.551,1158 1.546,1159 1.48,1160 1.481,1161 1.824,1162 0.371,1163 4.317,1164 1.404,1165 4.096,1166 4.115,1167 4.064,1168 4.003,1169 8.201,1170 4.015,1171 4.005,1172 4.033,1173 3.951,1174 3.895,1175 8.191,1176 3.903,1177 3.882,1178 3.913,1179 3.835,1180 3.789,1181 7.443,1182 3.794,1183 3.836,1184 3.882,1185 3.758,1186 3.744,1187 7.413,1188 3.741,1189 3.818,1190 3.868,1191 3.696,1192 3.61,1193 5.071,1194 3.621,1195 3.572,1196 3.609,1197 3.487,1198 3.392,1199 4.773,1200 3.408,1201 3.444,1202 3.489,1203 3.3,1204 3.278,1205 4.662,1206 3.273,1207 3.246,1208 3.3,1209 3.193,1210 2.971,1211 4.624,1212 3.009,1213 0.093,1214 0.085,1215 0.156,1216 0.092,1217 0.072,1218 4.765,1219 0.088,1220 4.332,1221 0.042,1222 7.978,1223 0.295,1224 4.682,1225 0.072,1226 3.677,1227 4.513,1228 2.166,1229 15.051,1230 3.692,1231 2.021,1232 2.007,1233 2.076,1234 2.124,1235 1.292,1236 2.109,1237 1.868,1238 1.844,1239 1.998,1240 2,1241 1.207,1242 1.997,1243 1.852,1244 1.817,1245 1.976,1246 1.992,1247 1.203,1248 1.991,1249 1.755,1250 1.692,1251 1.946,1252 1.973,1253 1.07,1254 1.966,1255 1.524,1256 1.49,1257 1.779,1258 1.749,1259 1.047,1260 1.756,1261 1.492,1262 1.469,1263 1.621,1264 1.702,1265 0.836,1266 1.664,1267 1.41,1268 1.368,1269 1.577,1270 1.622,1271 0.825,1272 1.619,1273 1.158,1274 1.087,1275 1.513,1276 1.432,1277 0.825,1278 1.448,1279 4.635,1280 1.946,1281 5.969,1282 3.932,1283 7.506,1284 5.938,1285 9.137,1286 7.917,1287 10.818,1289 1.547,1291 28.582,1295 6.493,1296 5.345,1297 22.96,1299 -1.089,1300 2.344,1301 -1.257,1305 52.097,1306 136.718,1307 328.286,1308 436.525,1309 476.564,1310 478.564,1311 478.564,1312 123.444,1313 8.957,1314 111.25,1315 111.25,1316 33,1317 13.139,1318 4.459,1319 3.755,1320 71.162,1321 309,1322 328,1323 0.109,1324 310.972,1325 567.1,1326 750.532,1327 132058,1328 2.4,1329 32.097,1330 0.698,1331 0.555,1332 30.357,1333 25.522,1334 22.341,1335 0.438,1336 0.301,1337 15.063,1338 21.133,1339 14.836,1340 12.11,1341 21.536,1342 15.369,1343 20.088,1344 0.279,1345 0.16,1346 18.936,1347 11.493,1348 17.005,1349 0.181,1350 0.086,1351 16.135,1352 8.051,1353 13.747,1354 0.117,1355 0.045,1356 13.212,1357 5.31,1358 10.793,1359 0.074,1360 0.024,1361 10.293,1362 3.49,1363 0.179,1364 142.653,1365 0.171,1366 41.253,1367 0.279,1368 246,1369 886.591,1370 279.508,1371 775.37,1372 1032.91,1373 728,1374 292,1375 729.6,1376 326.08,1377 717.558,1378 1060.64,1379 676,1380 5}
{0 CHEMBL1908394,1 1.781,2 14,3 5.126,4 26.275,5 142.371,6 8.237,7 0.5,8 4.305,9 4.42,10 3.979,11 3.839,12 5.432,13 3.824,14 4.882,15 5.053,16 4.445,17 4.25,18 6.339,19 4.225,20 5.081,21 5.26,22 4.476,23 4.406,24 6.175,25 4.345,26 5.233,27 5.449,28 4.486,29 4.459,30 6.363,31 4.371,32 5.253,33 5.486,34 4.449,35 4.41,36 6.462,37 4.328,38 5.122,39 5.328,40 4.368,41 4.368,42 6.288,43 4.284,44 5.089,45 5.295,46 4.428,47 4.346,48 6.281,49 4.281,50 5.093,51 5.291,52 4.487,53 4.302,54 6.332,55 4.253,56 0.146,57 1.213,58 12.176,59 6.276,60 25.48,61 7.263,62 1.048,63 2.299,64 27.961,65 10.371,66 153.195,67 12.329,68 0.631,69 2.227,70 36.147,71 13.907,72 55.298,73 16.555,74 0.855,75 2.571,76 45.904,77 17.185,78 97.719,79 20.983,80 1.474,81 2.549,82 49.52,83 16.836,84 147.462,85 19.783,86 0.948,87 2.313,88 42.715,89 15.232,90 117.928,91 17.04,92 0.727,93 2.187,94 40.393,95 13.693,96 80.509,97 16.586,98 0.783,99 2.434,100 41.697,101 13.851,102 82.239,103 15.347,104 54,105 62,106 0.281,107 0.61,108 0.759,109 0.821,110 0.856,111 0.861,112 3.668,113 0.932,114 -4.6,115 -4.52,116 -4.25,119 40.9,120 1,124 1,125 5,127 1,132 1,142 8,143 3,144 1,146 1,152 2,153 1,158 1,160 1,163 1,164 1,165 1,172 9,174 1,175 8,177 1,178 1,183 10,186 1,187 10,192 1,195 6,197 1,198 2,199 8,201 1,202 1,204 1,207 6,209 1,211 2,212 2,214 1,215 1,220 9,223 2,224 7,229 2,232 6,234 2,236 1,237 10,239 1,240 1,242 3,245 3,247 3,249 1,250 9,255 4,258 3,260 4,262 2,263 5,268 2,271 6,273 2,275 2898,276 25.004,277 25.004,278 25.004,279 25.004,280 25.004,281 22.511,282 33.041,283 14.351,284 25.903,285 20.743,286 20.743,287 20.743,288 20.743,289 20.743,290 16.823,291 41.717,292 6.836,293 22.329,294 4.263,295 2.175,296 1.228,297 0.834,298 0.61,299 0.58,300 4.366,305 1,306 1148,307 4.416,310 194.633,311 371.666,314 164.75,318 2.316,319 56.813,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 85,331 532,332 4.641,333 4.473,334 7.279,335 4.289,336 3.398,337 4.57,338 3.825,339 12.394,340 3.083,341 4.564,342 3.584,343 6.752,344 4.148,345 3.222,346 4.074,347 1.151,348 11.077,349 3.001,350 4.366,351 3.267,352 6.444,353 3.923,354 2.981,355 4.014,356 0.98,357 9.953,358 2.789,359 3.838,360 3.225,361 6.05,362 3.607,363 2.677,364 3.216,365 0.916,366 8.522,367 2.496,368 3.782,369 3.022,370 5.72,371 3.539,372 2.63,373 2.938,374 0.8,375 7.828,376 2.321,377 3.633,378 2.775,379 5.539,380 3.337,381 2.388,382 2.921,383 0.172,384 7.312,385 2.254,386 3.462,387 2.627,388 5.128,389 3.146,390 2.198,391 2.547,393 6.312,394 2.077,395 3.294,396 2.37,397 4.984,398 2.9,399 1.96,400 2.495,402 5.529,403 1.819,404 3.084,405 2.151,406 4.799,407 2.821,408 1.894,409 2.288,411 5.413,412 1.746,413 3.007,414 1.983,415 4.636,416 2.657,417 1.68,418 2.051,420 4.546,421 1.63,422 2.875,423 1.499,424 4.485,425 2.366,426 1.424,427 2.006,428 4.055,429 1.331,430 2.607,431 1.349,432 3.975,433 2.134,434 1.18,435 1.65,436 3.021,437 1.106,438 2.583,439 1.314,440 3.794,441 2.061,442 1.131,443 1.617,445 2.833,446 1.043,447 2.384,448 1.146,449 3.585,450 1.967,451 1,452 1.313,454 2.461,455 0.965,456 2.256,457 1.109,458 3.529,459 1.941,460 0.985,461 1.128,463 2.275,464 0.933,465 17.857,466 0.47,467 1.248,468 0.033,469 45.5,470 1.197,471 20,472 0.526,473 25.5,474 0.671,475 38.98,476 1.026,477 42.143,478 0.639,479 41.255,480 1.086,481 9.07,482 0.239,483 9.027,484 0.238,485 0.145,486 0.028,487 0.347,490 3,493 0.645,494 1.117,495 0.69,496 1.031,497 0.599,498 0.946,499 0.627,500 0.744,501 0.742,502 0.8,503 0.348,504 0.791,505 0.77,506 0.936,507 0.928,508 1.116,509 0.563,510 1.062,511 0.724,512 1.043,513 0.924,514 1.13,515 0.677,516 1.052,517 0.993,518 0.888,519 0.968,520 0.85,521 0.963,522 0.877,523 1.134,524 0.996,525 1.215,526 1.072,527 1.136,528 1.034,529 0.789,530 0.914,531 1.018,532 1.049,533 0.751,534 0.934,535 1.024,536 1.203,537 1.046,538 1.221,539 1.051,540 1.067,541 9.5,542 0.344,543 4.889,544 3.326,545 2.541,546 1.379,547 1.061,548 0.966,549 0.688,550 0.423,551 22818,552 68915,553 2.059,554 42.4,556 22,558 1,559 2,561 3,564 1.789,565 1.892,566 3.737,567 0.201,573 117.578,574 1.781,575 3.87,576 4.817,577 5.211,578 5.434,579 5.465,580 3.249,581 4.86,582 5.218,583 3.944,584 2772.43,585 9.202,586 45852.4,591 398.93,592 1.636,593 5.156,594 0.226,595 0.008,596 0.079,597 0.054,598 0.041,599 0.023,600 0.019,601 0.016,602 0.012,603 0.009,604 0.487,605 0.17,606 0.75,607 0.811,608 210.842,609 -0.048,610 -0.132,611 0.053,612 -0.025,613 -0.086,614 0.006,615 0.257,616 0.285,617 0.153,618 0.179,619 0.405,620 0.141,621 -0.05,622 -0.086,623 0.001,624 -0.093,625 0.006,626 -0.074,627 0.067,628 -0.15,629 0.072,630 -0.091,631 0.054,632 -0.023,633 0.062,634 0.101,635 0.062,636 0.152,637 0.009,638 0.119,639 -0.147,640 0.034,641 -0.139,642 0.008,643 -0.137,644 -0.038,645 -0.043,646 -0.083,647 0.029,648 -0.008,649 0.005,650 0.055,651 -0.082,652 -0.212,653 0.026,654 -0.173,655 -0.084,656 -0.104,657 5.78,658 5.548,659 0.684,660 45.186,661 1.019,662 1.14,663 3.366,664 11.329,665 0.671,666 3.761,667 4.143,668 4.407,669 4.7,670 4.92,671 5.017,672 5.198,673 5.38,674 5.529,675 5.642,676 8.21,677 0.647,678 543.67,679 3.761,680 5.342,681 6.205,682 7.111,683 7.993,684 8.9,685 9.792,686 10.7,687 11.597,688 12.506,689 7.6,692 2,696 1,697 1,699 1,703 2,704 9,705 1,708 1,709 6,710 1,711 21,717 1,729 1,731 66,733 22,734 2,735 42,737 70,738 27,739 17,740 5,741 7,742 1,746 5,747 6,752 2,757 1,758 1,761 18,762 9,766 1,771 1,775 1,779 3,781 28,782 9,783 2,784 11,785 1,787 1,790 5,794 0.8,795 2,811 2,812 3,815 1,836 2,840 4,842 1,844 2,846 3,848 38,849 1,854 5,856 1,858 1,859 2,860 1,865 1,869 3,870 3,873 1,875 1,877 20.083,878 12.395,879 8.028,880 3.861,881 4.1,882 1.47,883 1.007,884 7.607,885 12.823,886 3.998,887 4.625,888 5.222,889 5.841,890 6.335,891 6.727,892 7.193,893 7.658,894 8.009,895 8.375,896 1,897 62,898 14.647,900 6.863,901 8.037,902 26.503,904 22.211,905 2.537,906 96.417,910 306.049,911 177.297,912 57.83,914 36.145,915 44.88,916 31.278,917 146.019,918 342.193,919 102.711,920 17.222,921 43.426,922 75.81,923 67.025,924 81.902,925 3.503,926 325.555,927 7.76,928 306.049,929 203.85,930 81.025,931 31.278,933 270.735,934 116.338,937 79.85,938 107.214,939 16.786,940 31.278,941 350.929,942 93.975,943 177.297,946 313.808,947 67.887,948 109.798,950 130.708,951 306.049,952 138.856,953 177.297,955 0.599,956 0.341,957 0.184,958 0.102,959 31,960 15,961 0.1,962 7,963 1,964 1.077,965 4.667,966 384.094,967 0.077,968 26,969 190.666,970 1,974 26.826,975 10.776,976 5.817,977 1.645,978 136.956,979 14.639,980 4.491,983 1.114,984 1.236,985 1.848,986 32.897,987 622.201,988 53.5,993 12.25,997 -0.715,999 67.265,1000 75.247,1001 0.295,1002 0.64,1003 0.797,1004 0.862,1005 0.899,1006 0.904,1007 5.279,1008 1.96,1009 6.24,1010 6.312,1011 4.828,1012 5.313,1013 3.328,1014 7.111,1015 4.686,1016 6.512,1017 1.894,1018 7.843,1019 5.529,1020 4.635,1021 5.247,1022 3.919,1023 8.244,1024 4.355,1025 7.844,1026 1.68,1027 9.552,1028 5.413,1029 6.518,1030 7.539,1031 5.45,1032 11.307,1033 6.224,1034 9.211,1035 1.424,1036 11.324,1037 4.546,1038 7.107,1039 8.299,1040 6.691,1041 13.253,1042 6.67,1043 10.612,1044 1.18,1045 13.138,1046 4.055,1047 8.525,1048 10.107,1049 8.06,1050 15.9,1051 8.06,1052 12.036,1053 1.131,1054 14.981,1055 3.021,1056 9.449,1057 11.249,1058 9.389,1059 18.164,1060 8.855,1061 13.48,1062 1,1063 16.847,1064 2.833,1065 10.706,1066 12.865,1067 10.734,1068 20.689,1069 10.061,1070 3.398,1071 0.985,1072 18.729,1073 2.461,1074 11.777,1075 14.19,1076 12.074,1077 23.082,1078 11.019,1079 3.222,1080 12.394,1081 20.626,1082 2.275,1083 12.98,1084 15.727,1085 13.417,1086 25.575,1087 12.154,1088 2.981,1089 11.077,1090 22.534,1091 4.57,1092 14.117,1093 17.139,1094 14.758,1095 28.023,1096 13.188,1097 2.677,1098 9.953,1099 24.452,1100 4.074,1101 15.306,1102 18.645,1103 16.1,1104 30.511,1105 14.298,1106 2.63,1107 8.522,1108 26.377,1109 4.014,1110 16.473,1111 20.099,1112 17.441,1113 32.984,1114 15.368,1115 2.388,1116 7.828,1117 28.309,1118 3.216,1119 17.662,1120 21.596,1121 18.783,1122 35.475,1123 16.471,1124 2.198,1125 7.312,1126 30.247,1127 2.938,1128 18.845,1129 23.072,1130 20.124,1131 37.962,1132 17.559,1133 21602,1134 37959,1135 27.452,1136 44.296,1137 65.578,1138 64.755,1139 66.344,1140 64.856,1141 64.588,1142 81.685,1143 15.689,1144 194.998,1145 59.984,1146 5.641,1147 6.473,1148 6.957,1149 5.456,1150 5.398,1151 7.57,1152 5.335,1153 20.104,1154 5.083,1155 22.432,1156 1.561,1157 1.542,1158 1.58,1159 1.544,1160 1.538,1161 1.945,1162 0.374,1163 4.643,1164 1.428,1165 4.148,1166 4.182,1167 4.307,1168 4.061,1169 8.513,1170 4.054,1171 3.967,1172 3.99,1173 3.997,1174 3.892,1175 7.999,1176 3.893,1177 3.859,1178 3.918,1179 3.916,1180 3.834,1181 7.999,1182 3.786,1183 3.804,1184 3.824,1185 3.711,1186 3.617,1187 7.437,1188 3.629,1189 3.461,1190 3.525,1191 3.376,1192 3.279,1193 5.053,1194 3.295,1195 3.401,1196 3.46,1197 3.347,1198 3.228,1199 4.898,1200 3.217,1201 3.314,1202 3.362,1203 3.257,1204 3.01,1205 4.774,1206 3.065,1207 3.26,1208 3.334,1209 3.21,1210 3,1211 4.62,1212 3.028,1213 0.111,1214 0.107,1215 0.173,1216 0.102,1217 0.081,1218 4.641,1219 0.109,1220 4.473,1221 0.091,1222 7.279,1223 0.295,1224 4.289,1225 0.073,1226 3.398,1227 4.57,1228 3.825,1229 12.394,1230 3.083,1231 1.953,1232 1.925,1233 2.056,1234 2.069,1235 1.326,1236 2.07,1237 1.932,1238 1.911,1239 2.036,1240 2.028,1241 1.203,1242 2.028,1243 1.756,1244 1.683,1245 1.95,1246 1.961,1247 1.167,1248 1.963,1249 1.57,1250 1.554,1251 1.722,1252 1.755,1253 0.831,1254 1.733,1255 1.523,1256 1.507,1257 1.615,1258 1.7,1259 0.825,1260 1.686,1261 1.37,1262 1.309,1263 1.574,1264 1.599,1265 0.788,1266 1.606,1267 1.281,1268 1.202,1269 1.513,1270 1.54,1271 0.687,1272 1.555,1273 1.153,1274 1.064,1275 1.503,1276 1.44,1277 0.639,1278 1.429,1279 4.443,1281 5.808,1282 3.045,1283 7.349,1284 5.416,1285 8.971,1286 7.535,1287 10.636,1289 3.64,1291 40.644,1293 5.623,1295 4.865,1297 5.918,1299 -0.969,1300 4.717,1301 -4.53,1305 42.722,1306 117.578,1307 255.404,1308 317.91,1309 343.91,1310 358.665,1311 360.665,1312 88.952,1313 8.723,1314 76.62,1315 104.86,1316 28,1317 13.024,1318 4.524,1319 3.644,1320 59.042,1321 186,1322 217,1323 0.153,1324 260.212,1325 453.16,1326 626.678,1327 87950,1328 4.5,1329 27.026,1330 0.711,1331 0.575,1332 24.88,1333 21.85,1334 18.096,1335 0.431,1336 0.311,1337 12.07,1338 16.772,1339 11.729,1340 9.633,1341 17.293,1342 13.052,1343 17.739,1344 0.286,1345 0.17,1346 16.36,1347 10.535,1348 13.964,1349 0.172,1350 0.098,1351 14.135,1352 7.898,1353 11.905,1354 0.109,1355 0.052,1356 12.072,1357 5.622,1358 9.733,1359 0.072,1360 0.029,1361 9.676,1362 3.94,1363 0.241,1364 118.894,1365 0.191,1366 34.394,1367 0.415,1368 208,1369 772.557,1370 266.999,1371 683.72,1372 908,1373 636,1374 247,1375 633.799,1376 300.972,1377 638.183,1378 962.17,1379 598,1380 5}
{0 CHEMBL1908395,1 1.503,2 13.5,3 3.328,4 11.073,5 132.718,6 6.979,7 0.297,8 4.265,9 4.401,10 3.774,11 3.783,12 5.32,13 3.752,14 4.844,15 5.048,16 4.12,17 4.201,18 5.813,19 4.138,20 5.129,21 5.356,22 4.19,23 4.389,24 6.129,25 4.279,26 5.226,27 5.479,28 4.177,29 4.391,30 6.2,31 4.275,32 5.188,33 5.43,34 4.146,35 4.364,36 6.187,37 4.261,38 5.159,39 5.396,40 4.153,41 4.392,42 6.14,43 4.276,44 5.238,45 5.501,46 4.101,47 4.409,48 6.093,49 4.27,50 5.236,51 5.509,52 4.051,53 4.347,54 6.12,55 4.207,56 0.035,57 1.005,58 14.504,59 5.794,60 10.727,61 8.282,62 0.316,63 1.619,64 27.893,65 9.817,66 25.899,67 14.536,68 0.511,69 1.97,70 38.107,71 14.189,72 61.819,73 20.389,74 0.358,75 2.026,76 42.966,77 15.222,78 66.898,79 22.212,80 0.49,81 1.968,82 41.722,83 13.786,84 85.309,85 20.083,86 0.372,87 2.01,88 39.397,89 14.14,90 71.509,91 20.777,92 0.343,93 2.071,94 43.402,95 15.464,96 58.696,97 22.954,98 0.434,99 1.991,100 44.144,101 15.101,102 72.165,103 22.404,104 32,105 51,106 0.238,107 0.596,108 0.789,109 0.834,110 0.843,111 0.843,112 3.561,113 0.971,114 -3.56,115 -3.54,116 -3.37,119 39.4,121 6,122 1,124 2,125 3,135 1,136 1,142 3,143 2,144 1,146 1,151 1,158 3,161 1,172 14,174 1,175 2,178 2,180 2,183 18,186 4,187 1,190 2,191 1,192 3,195 17,199 5,202 1,204 3,207 13,212 10,217 5,220 11,223 1,224 10,227 1,229 6,232 10,237 10,242 3,245 6,250 14,253 1,255 3,258 2,263 11,268 3,275 2378,276 22.955,277 22.955,278 22.955,279 22.955,280 22.955,281 21.126,282 30.676,283 13.561,284 23.298,285 18.202,286 18.202,287 18.202,288 18.202,289 18.202,290 15.135,291 33.548,292 6.375,293 18.738,294 4.541,295 2.28,296 1.065,297 0.78,298 0.72,299 0.72,300 4.253,305 1,306 976,307 4,310 110.516,311 361.297,318 2.176,319 33.048,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 73,331 459,332 4.442,333 4.059,334 6.555,335 4.093,336 3.103,337 4.07,338 2.035,339 10.408,340 3.073,341 4.263,342 3.737,343 6.14,344 3.856,345 2.888,346 3.881,347 1.989,348 9.02,349 2.797,350 4.009,351 3.581,352 6.076,353 3.799,354 2.834,355 3.231,356 1.058,357 8.807,358 2.732,359 3.869,360 3.199,361 5.988,362 3.628,363 2.64,364 3.101,365 0.835,366 8.479,367 2.596,368 3.782,369 2.947,370 5.315,371 3.309,372 2.331,373 3.008,374 0.543,375 6.723,376 2.271,377 3.504,378 2.54,379 5.144,380 3.113,381 2.146,382 2.706,384 6.088,385 2.095,386 3.154,387 2.514,388 4.754,389 3.013,390 2.076,391 2.16,393 5.341,394 1.924,395 3.094,396 2.393,397 4.438,398 2.579,399 1.592,400 1.903,402 4.362,403 1.565,404 2.821,405 2.238,406 4.157,407 2.544,408 1.55,409 1.825,411 3.658,412 1.539,413 2.751,414 1.685,415 3.894,416 2.188,417 1.212,418 1.733,420 3.038,421 1.17,422 2.479,423 1.656,424 3.801,425 2.068,426 1.075,427 1.29,428 2.816,429 1.057,430 2.365,431 1.462,432 3.479,433 2,434 1,435 1.264,436 2.474,437 1,438 2.343,439 1.293,440 3.414,441 2,442 1,443 1.033,445 2.275,446 1,447 2.161,448 1.077,449 3.273,450 1.984,451 1,452 1.007,454 2.136,455 0.983,456 2.052,457 1.056,458 3.247,459 1.608,460 0.682,461 1,463 1.665,464 0.629,465 16.067,466 0.473,467 0.818,468 0.024,469 40.25,470 1.184,471 18,472 0.529,473 22.25,474 0.654,475 34.026,476 1.001,477 37.333,478 0.566,479 32.335,480 0.951,481 7.5,482 0.221,483 8.94,484 0.263,485 0.129,487 0.33,493 0.737,494 1.47,495 0.845,496 1.185,497 0.485,498 1.048,499 0.754,500 1.065,501 0.905,502 0.973,503 0.45,504 0.95,505 0.685,506 0.972,507 0.988,508 1.099,509 0.697,510 1.093,511 0.918,512 1.033,513 0.895,514 1.046,515 0.942,516 0.987,517 1.375,518 0.945,519 1.05,520 0.93,521 1.293,522 0.952,523 0.818,524 1.08,525 1.022,526 1.118,527 0.611,528 1.101,529 0.777,530 1.02,531 0.96,532 1.062,533 0.67,534 1.04,535 0.936,536 0.966,537 0.94,538 0.992,539 0.909,540 0.977,541 7,542 0.205,543 4,544 1.972,545 1.722,546 1.354,547 0.843,548 0.446,549 0.441,550 0.346,551 16678,552 41855,553 2.059,554 48.5,555 9,556 16,557 1,559 2,561 4,564 1.762,565 1.925,566 3.695,567 0.177,573 99.209,574 1.503,575 3.765,576 4.98,577 5.264,578 5.325,579 5.325,580 3.257,581 4.558,582 5.051,583 3.878,584 2175.75,585 8.878,586 33647.9,591 398.93,592 1.419,593 5.016,594 0.189,595 0.006,596 0.078,597 0.038,598 0.034,599 0.027,600 0.017,601 0.009,602 0.01,603 0.009,604 0.417,605 0.33,606 0.88,607 1.096,608 182.986,609 -0.027,610 -0.21,611 0.052,612 -0.06,613 0.031,614 -0.004,615 0.073,616 0.081,617 0.04,618 0.062,619 0.077,620 0.051,621 0.173,622 0.065,623 -0.036,624 -0.058,625 0.078,626 -0.077,627 0.017,628 -0.082,629 0.079,630 -0.026,631 0.018,632 0.026,633 -0.184,634 0.035,635 -0.052,636 0.067,637 -0.113,638 0.031,640 -0.056,641 -0.07,642 -0.088,643 0.093,644 -0.088,645 -0.022,646 -0.059,647 -0.003,648 -0.042,649 -0.001,650 -0.021,651 -0.02,652 -0.043,653 0.041,654 0.005,655 -0.023,656 0.026,657 2.028,658 5.767,659 0.676,660 42.291,661 0.996,662 1.133,663 2.332,664 5.438,665 0.649,666 3.638,667 3.951,668 4.205,669 4.443,670 4.654,671 4.754,672 4.898,673 5.037,674 5.187,675 5.298,676 7.819,677 0.612,678 460.64,679 3.638,680 5.176,681 6.019,682 6.889,683 7.75,684 8.625,685 9.494,686 10.373,687 11.247,688 12.127,689 9.1,692 1,696 2,697 1,698 1,699 1,704 4,705 1,706 1,709 5,711 11,713 1,718 1,731 66,733 15,734 1,735 37,737 69,738 26,739 9,740 3,741 3,742 3,746 4,747 4,755 6,756 1,758 6,760 1,761 13,762 12,763 1,766 3,771 2,773 1,775 3,781 32,782 7,783 2,784 8,787 1,790 6,794 1,795 2,811 1,812 3,827 1,831 1,832 1,836 1,840 4,844 2,848 34,854 9,855 1,858 1,859 2,861 1,866 1,868 1,870 3,873 2,877 17.667,878 12.383,879 7.556,880 4.199,881 2.276,882 1.292,883 0.969,884 7.824,885 10.072,886 3.882,887 4.379,888 4.899,889 5.389,890 5.796,891 6.096,892 6.336,893 6.63,894 6.949,895 7.285,896 1,897 52,898 12.638,900 5.36,901 7.755,902 24.414,904 20.272,905 2.255,906 76.667,910 353.133,911 128.679,912 88.89,914 50.29,917 128.679,918 403.423,919 88.89,920 16.793,921 42.659,922 46.952,923 95.414,924 66.039,925 11.771,926 341.362,928 353.133,929 217.568,930 50.29,933 306.049,934 97.374,937 98.713,938 92.593,939 26.262,941 353.133,942 139.18,943 128.679,946 353.133,947 48.332,948 69.994,949 51.398,950 98.135,951 353.133,952 139.18,953 128.679,955 0.578,956 0.333,957 0.177,958 0.095,959 23,960 11,961 0.087,962 6,964 1,965 4.449,966 313.904,968 23,969 166.974,974 24.198,975 10.994,976 5.961,978 122.394,979 7.721,980 4.019,981 2.768,984 3.383,986 34.796,987 620.991,988 47.5,993 25.175,995 2.279,997 1.089,999 65.752,1000 74.806,1001 0.249,1002 0.623,1003 0.824,1004 0.871,1005 0.881,1006 0.881,1007 5.14,1008 1.592,1009 5.999,1010 5.341,1011 4.635,1012 5.066,1013 2.981,1014 6.79,1015 4.582,1016 6.325,1017 1.55,1018 7.548,1019 4.362,1020 4.205,1021 4.808,1022 1.738,1023 7.653,1024 4.133,1025 7.617,1026 1.212,1027 9.195,1028 3.658,1029 6.213,1030 7.137,1031 4.082,1032 10.726,1033 6.111,1034 8.94,1035 1.075,1036 10.899,1037 3.038,1038 6.594,1039 7.728,1040 3.224,1041 12.405,1042 6.476,1043 10.295,1044 1,1045 12.64,1046 2.816,1047 8.063,1048 9.516,1049 5.387,1050 14.982,1051 7.921,1052 11.672,1053 1,1054 14.406,1055 2.474,1056 8.813,1057 10.495,1058 4.689,1059 16.998,1060 8.657,1061 13.065,1062 1,1063 16.189,1064 2.275,1065 10.061,1066 12.061,1067 6.756,1068 19.398,1069 9.885,1070 3.103,1071 0.682,1072 17.986,1073 2.136,1074 10.989,1075 13.234,1076 6.118,1077 21.568,1078 10.799,1079 2.888,1080 10.408,1081 19.792,1082 1.665,1083 12.144,1084 14.703,1085 8.147,1086 23.904,1087 11.937,1088 2.834,1089 9.02,1090 21.606,1091 4.07,1092 13.157,1093 15.975,1094 7.524,1095 26.147,1096 12.939,1097 2.64,1098 8.807,1099 23.426,1100 3.881,1101 14.275,1102 17.4,1103 9.547,1104 28.463,1105 14.042,1106 2.331,1107 8.479,1108 25.251,1109 3.231,1110 15.332,1111 18.725,1112 8.915,1113 30.743,1114 15.087,1115 2.146,1116 6.723,1117 27.08,1118 3.101,1119 16.436,1120 20.13,1121 10.952,1122 33.056,1123 16.18,1124 2.076,1125 6.088,1126 28.914,1127 3.008,1128 17.515,1129 21.484,1130 10.3,1131 35.356,1132 17.249,1133 16131,1134 25792,1135 24.561,1136 42.841,1137 57.336,1138 59.698,1139 56.936,1140 54.994,1141 55.039,1142 67.878,1143 12.918,1144 155.887,1145 53.585,1146 5.442,1147 6.059,1148 6.357,1149 5.143,1150 5.103,1151 7.07,1152 4.069,1153 17.274,1154 5.073,1155 18.175,1156 1.55,1157 1.613,1158 1.539,1159 1.486,1160 1.488,1161 1.835,1162 0.349,1163 4.213,1164 1.448,1165 4.056,1166 4.093,1167 4,1168 3.982,1169 7.431,1170 3.979,1171 3.92,1172 3.974,1173 3.882,1174 3.729,1175 7.426,1176 3.762,1177 3.85,1178 3.904,1179 3.749,1180 3.726,1181 6.821,1182 3.721,1183 3.733,1184 3.788,1185 3.626,1186 3.589,1187 4.892,1188 3.593,1189 3.601,1190 3.68,1191 3.465,1192 3.397,1193 4.746,1194 3.405,1195 3.332,1196 3.377,1197 3.283,1198 3.103,1199 4.357,1200 3.141,1201 3.222,1202 3.268,1203 3.114,1204 3.009,1205 4.308,1206 3.023,1207 3.111,1208 3.206,1209 2.952,1210 2.945,1211 4.207,1212 2.935,1213 0.12,1214 0.11,1215 0.177,1216 0.111,1217 0.084,1218 4.442,1219 0.11,1220 4.059,1221 0.055,1222 6.555,1223 0.281,1224 4.093,1225 0.083,1226 3.103,1227 4.07,1228 2.035,1229 10.408,1230 3.073,1231 2.011,1232 1.984,1233 2.135,1234 2.103,1235 1.457,1236 2.114,1237 1.845,1238 1.794,1239 2.045,1240 2.002,1241 1.393,1242 2.016,1243 1.709,1244 1.657,1245 1.885,1246 1.892,1247 1.073,1248 1.895,1249 1.574,1250 1.502,1251 1.825,1252 1.827,1253 0.982,1254 1.826,1255 1.513,1256 1.462,1257 1.632,1258 1.741,1259 0.825,1260 1.72,1261 1.458,1262 1.417,1263 1.513,1264 1.654,1265 0.73,1266 1.617,1267 1.197,1268 1.134,1269 1.504,1270 1.45,1271 0.648,1272 1.448,1273 1.153,1274 1.064,1275 1.447,1276 1.376,1277 0.603,1278 1.429,1279 4.317,1281 5.631,1282 2.398,1283 7.132,1284 4.595,1285 8.714,1286 6.581,1287 10.341,1289 3.835,1295 8.225,1296 2.991,1299 0.388,1300 3.879,1303 8.981,1304 1.934,1305 40.406,1306 99.209,1307 248.469,1308 328.665,1309 347.42,1310 351.42,1311 351.42,1312 72.414,1313 7.796,1314 105.12,1315 105.12,1316 23,1317 12.664,1318 4,1319 3.524,1320 56.78,1321 153,1322 174,1323 0.174,1324 250.082,1325 444.3,1326 601.96,1327 25148,1329 24.079,1330 0.708,1331 0.586,1332 24.079,1333 19.933,1334 16.44,1335 0.444,1336 0.324,1337 11.816,1338 15.858,1339 11.495,1340 9.558,1341 16.44,1342 11.97,1343 14.737,1344 0.289,1345 0.184,1346 14.737,1347 9.373,1348 12.113,1349 0.184,1350 0.1,1351 12.113,1352 6.607,1353 9.955,1354 0.119,1355 0.057,1356 9.955,1357 4.783,1358 7.72,1359 0.074,1360 0.033,1361 7.72,1362 3.444,1363 0.275,1364 102.775,1365 0.202,1366 31.59,1367 0.474,1368 176,1369 482.717,1370 190.836,1371 472.942,1372 637.26,1373 440,1374 205,1375 458.949,1376 220.948,1377 469.617,1378 680.35,1379 439,1380 5}
{0 CHEMBL1908396,1 1.725,2 13.882,3 3.467,4 12.019,5 127.926,6 8.286,7 0.595,8 4.179,9 4.273,10 3.865,11 3.695,12 5.365,13 3.691,14 4.676,15 4.82,16 4.21,17 4.029,18 5.836,19 4.019,20 4.81,21 4.952,22 4.267,23 4.128,24 5.969,25 4.117,26 4.908,27 5.054,28 4.256,29 4.189,30 6.087,31 4.155,32 5.014,33 5.2,34 4.236,35 4.199,36 6.198,37 4.144,38 4.963,39 5.171,40 4.112,41 4.147,42 6.037,43 4.08,44 4.901,45 5.101,46 4.059,47 4.096,48 5.988,49 4.024,50 4.825,51 5.018,52 4.052,53 4.041,54 5.849,55 3.962,56 0.12,57 0.839,58 10.643,59 5.373,60 9.758,61 5.983,62 0.542,63 1.287,64 23.313,65 8.563,66 38.93,67 9.636,68 0.646,69 1.464,70 26.135,71 9.446,72 43.65,73 10.616,74 0.671,75 1.578,76 29.749,77 11.1,78 45.753,79 12.502,80 1.021,81 1.662,82 33.575,83 11.797,84 80.173,85 14.557,86 0.681,87 1.573,88 32.873,89 11.964,90 57.179,91 15.044,92 0.762,93 1.482,94 30.187,95 10.886,96 69.801,97 13.307,98 0.632,99 1.381,100 29.803,101 10.812,102 44.617,103 12.91,104 35,105 51,106 0.279,107 0.614,108 0.773,109 0.835,110 0.848,111 0.877,112 3.56,113 0.911,114 -1.72,115 -1.79,116 -1.81,119 41.4,120 1,124 3,127 1,142 6,143 1,144 6,145 2,146 1,151 1,159 1,161 1,172 2,175 11,178 2,179 1,180 2,183 3,186 1,187 8,190 2,192 3,195 4,198 3,199 5,204 2,207 5,211 4,212 4,215 3,217 3,220 4,223 1,224 5,232 4,236 1,237 6,240 1,242 2,245 4,249 2,250 7,255 1,258 2,262 1,263 4,266 1,268 3,275 2118,276 23.281,277 23.281,278 23.281,279 23.281,280 23.281,281 20.546,282 29.158,283 13.636,284 24.349,285 18.084,286 18.084,287 18.084,288 18.084,289 18.084,290 13.753,291 39.065,292 6.209,293 19.529,294 4.133,295 2.056,296 1.074,297 0.69,298 0.608,299 0.431,300 4.254,305 1,306 1012,307 4.062,310 111.91,311 315.11,315 169.572,318 2.256,319 34.222,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 75,331 472,332 4.575,333 3.585,334 6.585,335 4.099,336 3.135,337 4.513,338 1.659,339 10.529,340 3.023,341 4.283,342 3.329,343 6.197,344 3.886,345 2.933,346 3.921,347 0.86,348 9.273,349 2.789,350 4.08,351 3.15,352 6.044,353 3.726,354 2.81,355 3.575,356 0.86,357 8.662,358 2.571,359 3.991,360 3.027,361 6.037,362 3.582,363 2.652,364 3.493,365 0.86,366 8.625,367 2.457,368 3.678,369 2.961,370 5.4,371 3.277,372 2.335,373 2.994,374 0.86,375 7.015,376 2.184,377 3.509,378 2.549,379 5.092,380 3.085,381 2.15,382 2.798,383 0.564,384 6.11,385 1.993,386 3.327,387 2.228,388 4.97,389 2.859,390 1.908,391 2.63,392 0.133,393 5.701,394 1.809,395 2.999,396 1.967,397 4.488,398 2.581,399 1.663,400 2.22,402 4.379,403 1.511,404 2.956,405 1.932,406 4.354,407 2.532,408 1.588,409 2.073,411 4.164,412 1.495,413 2.854,414 1.827,415 4.074,416 2.425,417 1.464,418 1.959,420 3.582,421 1.392,422 2.692,423 1.471,424 3.886,425 2.256,426 1.347,427 1.751,428 3.079,429 1.214,430 2.123,431 1.014,432 3.263,433 1.684,434 0.772,435 1.005,436 1.833,437 0.692,438 2.118,439 1,440 3.2,441 1.569,442 0.67,443 0.927,445 1.446,446 0.595,447 1.909,448 0.959,449 3,450 1.444,451 0.618,452 0.804,454 1.372,455 0.486,456 1.771,457 0.94,458 2.977,459 1.415,460 0.542,461 0.639,463 1.01,464 0.481,465 16.1,466 0.474,467 0.742,468 0.022,469 46.75,470 1.375,471 24,472 0.706,473 22.75,474 0.669,475 28.055,476 0.825,477 36.7,478 0.633,479 38.204,480 1.124,481 9.515,482 0.28,483 7.001,484 0.206,485 0.145,487 0.342,493 0.889,494 1.317,495 0.716,496 1.061,497 0.703,498 0.93,499 1.188,500 0.982,501 0.848,502 0.845,503 0.783,504 0.747,505 1.216,506 1.052,507 0.999,508 0.989,509 1.11,510 0.924,511 1.146,512 1.216,513 1.165,514 1.213,515 1.102,516 1.135,517 0.994,518 0.925,519 0.891,520 0.934,521 1.316,522 1.037,523 0.962,524 0.997,525 0.833,526 0.92,527 1.075,528 0.962,529 1.112,530 0.892,531 0.919,532 0.848,533 1.257,534 0.978,535 1.043,536 1.013,537 0.97,538 1.013,539 0.692,540 1.022,541 7,542 0.227,543 3.778,544 2.153,545 2.441,546 1.052,547 0.879,548 0.572,549 0.365,550 0.298,551 17564,552 54100,553 2.059,554 41.4,556 16,557 1,558 2,559 2,561 3,564 1.758,565 1.925,566 3.74,567 0.235,569 1,573 100.075,574 1.725,575 3.802,576 4.784,577 5.168,578 5.25,579 5.427,580 3.282,581 4.676,582 5.058,583 3.941,584 2211.08,585 8.859,586 34684.5,591 339.763,592 1.419,593 5.016,594 0.189,595 0.008,596 0.074,597 0.04,598 0.046,599 0.021,600 0.019,601 0.014,602 0.009,603 0.008,604 0.429,605 0.33,606 0.88,607 0.865,608 184.239,609 -0.076,610 -0.185,611 0.065,612 -0.071,613 -0.078,614 -0.016,615 -0.08,616 0.08,617 0.102,618 0.15,619 0.039,620 0.176,621 -0.094,622 0.023,623 -0.087,624 -0.028,625 -0.113,626 -0.021,627 -0.065,628 -0.17,629 -0.221,630 -0.221,631 -0.061,632 -0.207,633 0.097,634 0.043,635 -0.037,636 -0.041,637 0.021,638 -0.091,639 -0.025,640 -0.062,641 0.037,642 -0.005,643 -0.001,644 0.031,645 -0.085,646 0.065,647 -0.046,648 0.058,649 -0.113,650 -0.012,651 -0.049,652 -0.057,653 0.005,654 -0.02,655 -0.018,656 -0.028,657 2.032,658 5.46,659 0.618,660 39.27,661 1.016,662 1.123,663 0.49,664 0.24,665 0.682,666 3.638,667 3.951,668 4.234,669 4.489,670 4.682,671 4.762,672 4.868,673 4.977,674 5.088,675 5.136,676 8.16,677 0.657,678 480.59,679 3.638,680 5.176,681 6.028,682 6.905,683 7.773,684 8.653,685 9.527,686 10.408,687 11.285,688 12.168,689 6.9,696 2,699 2,703 2,704 9,705 2,708 1,709 7,711 22,729 4,731 58,733 23,734 2,735 37,737 61,738 24,739 18,740 7,741 5,746 4,747 5,751 1,752 1,758 1,761 19,762 5,766 1,771 1,775 1,781 24,782 9,783 2,784 10,785 1,790 4,794 0.75,795 5,805 1,811 1,812 3,816 1,840 3,842 1,844 4,848 34,855 2,856 4,858 1,863 1,870 8.6,873 1,875 4,877 17.667,878 11.733,879 7.722,880 3.101,881 3.986,882 1.499,883 0.965,884 7.824,885 11.975,886 3.912,887 4.525,888 5.122,889 5.715,890 6.236,891 6.548,892 6.921,893 7.324,894 7.728,895 7.939,896 1,897 54,898 12.504,900 5.192,901 7.789,902 23.479,904 18.432,905 2.289,906 77.833,910 258.964,911 194.25,912 69.593,914 69.144,916 31.278,917 162.972,918 328.109,919 69.593,920 41.474,921 36.022,922 64.507,923 83.188,924 95.785,925 16.047,926 254.929,928 258.964,929 232.565,930 69.144,931 31.278,933 223.651,934 104.458,937 66.015,938 132.978,939 33.571,940 31.278,941 258.964,942 138.737,943 194.25,946 258.964,947 70.174,948 124.076,949 36.022,950 102.716,951 258.964,952 138.737,953 194.25,955 0.572,956 0.35,957 0.194,958 0.1,959 23,960 11,961 0.131,962 8,963 1,964 1.095,965 4.459,966 312.161,967 0.095,968 21,969 172.974,970 1,974 24.198,975 10.994,976 5.6,977 1.461,978 138.737,979 15.766,980 8.611,983 1.481,984 4.05,986 36.022,987 591.951,988 49,993 12.46,997 -0.365,999 58.956,1000 65.112,1001 0.295,1002 0.649,1003 0.817,1004 0.882,1005 0.896,1006 0.926,1007 5.139,1008 1.663,1009 6.009,1010 5.701,1011 4.635,1012 5.212,1013 2.506,1014 6.817,1015 4.497,1016 6.348,1017 1.588,1018 7.567,1019 4.379,1020 4.205,1021 5.037,1022 1.195,1023 7.703,1024 4.04,1025 7.658,1026 1.464,1027 9.222,1028 4.164,1029 6.229,1030 7.442,1031 2.765,1032 10.786,1033 5.982,1034 9.005,1035 1.347,1036 10.933,1037 3.582,1038 6.621,1039 8.102,1040 2.324,1041 12.471,1042 6.332,1043 10.383,1044 0.772,1045 12.68,1046 3.079,1047 8.089,1048 9.965,1049 3.378,1050 15.06,1051 7.749,1052 11.781,1053 0.67,1054 14.451,1055 1.833,1056 8.858,1057 11.027,1058 3.415,1059 17.084,1060 8.469,1061 13.196,1062 0.618,1063 16.238,1064 1.446,1065 10.105,1066 12.668,1067 4.209,1068 19.497,1069 9.678,1070 3.135,1071 0.542,1072 18.038,1073 1.372,1074 11.052,1075 13.937,1076 4.478,1077 21.676,1078 10.578,1079 2.933,1080 10.529,1081 19.847,1082 1.01,1083 12.21,1084 15.484,1085 5.142,1086 24.025,1087 11.703,1088 2.81,1089 9.273,1090 21.664,1091 4.513,1092 13.241,1093 16.86,1094 5.522,1095 26.278,1096 12.691,1097 2.652,1098 8.662,1099 23.488,1100 3.921,1101 14.365,1102 18.369,1103 6.117,1104 28.607,1105 13.783,1106 2.335,1107 8.625,1108 25.316,1109 3.575,1110 15.436,1111 19.801,1112 6.554,1113 30.898,1114 14.816,1115 2.15,1116 7.015,1117 27.149,1118 3.493,1119 16.549,1120 21.297,1121 7.11,1122 33.224,1123 15.898,1124 1.908,1125 6.11,1126 28.986,1127 2.994,1128 17.642,1129 22.76,1130 7.577,1131 35.536,1132 16.955,1133 16807,1134 29673,1135 24.561,1136 39.557,1137 54.563,1138 56.017,1139 56.598,1140 54.04,1141 54.31,1142 71.879,1143 11.591,1144 155.338,1145 50.362,1146 5.483,1147 5.585,1148 6.182,1149 5.196,1150 5.135,1151 7.513,1152 2.921,1153 17.464,1154 5.023,1155 17.822,1156 1.475,1157 1.514,1158 1.53,1159 1.461,1160 1.468,1161 1.943,1162 0.313,1163 4.198,1164 1.361,1165 4.084,1166 4.1,1167 4.213,1168 3.997,1169 7.431,1170 4.008,1171 3.92,1172 3.947,1173 4.053,1174 3.847,1175 5.084,1176 3.828,1177 3.844,1178 3.869,1179 3.867,1180 3.804,1181 4.887,1182 3.755,1183 3.544,1184 3.57,1185 3.5,1186 3.372,1187 4.847,1188 3.392,1189 3.492,1190 3.537,1191 3.447,1192 3.286,1193 4.722,1194 3.293,1195 3.26,1196 3.32,1197 3.12,1198 3.003,1199 4.51,1200 3.025,1201 3.246,1202 3.312,1203 3.065,1204 2.961,1205 4.473,1206 2.975,1207 3.225,1208 3.294,1209 3.058,1210 2.958,1211 4.234,1212 2.969,1213 0.124,1214 0.097,1215 0.178,1216 0.111,1217 0.085,1218 4.575,1219 0.122,1220 3.585,1221 0.045,1222 6.585,1223 0.285,1224 4.099,1225 0.082,1226 3.135,1227 4.513,1228 1.659,1229 10.529,1230 3.023,1231 2.02,1232 2.006,1233 2.075,1234 2.123,1235 1.207,1236 2.108,1237 1.866,1238 1.848,1239 1.953,1240 1.994,1241 1.066,1242 1.979,1243 1.636,1244 1.59,1245 1.822,1246 1.834,1247 1.035,1248 1.836,1249 1.462,1250 1.439,1251 1.646,1252 1.678,1253 0.658,1254 1.664,1255 1.356,1256 1.325,1257 1.576,1258 1.525,1259 0.575,1260 1.54,1261 1.198,1262 1.144,1263 1.569,1264 1.521,1265 0.573,1266 1.531,1267 1.192,1268 1.12,1269 1.482,1270 1.504,1271 0.556,1272 1.517,1273 1.176,1274 1.117,1275 1.456,1276 1.459,1277 0.518,1278 1.449,1279 4.317,1281 5.631,1282 2.398,1283 7.141,1284 4.443,1285 8.745,1286 6.293,1287 10.4,1289 6.548,1296 5.667,1297 22.373,1299 -0.218,1305 38.115,1306 100.075,1307 220.499,1308 277.459,1309 299.724,1310 304.479,1311 314.743,1312 60.341,1313 7.989,1314 103.83,1315 132.07,1316 23,1317 12.703,1318 4.585,1319 3.7,1320 57.09,1321 168,1322 156,1323 0.165,1324 237.501,1325 408.14,1326 571.262,1327 35855,1329 24.079,1330 0.708,1331 0.586,1332 24.432,1333 19.934,1334 16.516,1335 0.446,1336 0.304,1337 10.199,1338 15.129,1339 9.788,1340 8.188,1341 16.97,1342 11.235,1343 14.365,1344 0.282,1345 0.159,1346 14.948,1347 8.114,1348 12.349,1349 0.182,1350 0.088,1351 13.065,1352 5.984,1353 10.392,1354 0.118,1355 0.046,1356 11.002,1357 4.013,1358 7.966,1359 0.074,1360 0.022,1361 8.266,1362 2.392,1363 0.264,1364 110.101,1365 0.202,1366 31.799,1367 0.437,1368 176,1369 605.494,1370 221.611,1371 585.618,1372 798.79,1373 552,1374 207,1375 570.1,1376 248.567,1377 587.54,1378 855.08,1379 548,1380 5}
{0 CHEMBL1908397,1 1.472,2 11.68,3 2.724,4 7.42,5 100.285,6 7.388,7 0.571,8 3.911,9 4.039,10 3.483,11 3.483,12 4.988,13 3.457,14 4.433,15 4.608,16 3.812,17 3.874,18 5.459,19 3.825,20 4.685,21 4.91,22 3.823,23 3.981,24 5.672,25 3.893,26 4.685,27 4.917,28 3.663,29 3.874,30 5.729,31 3.773,32 4.528,33 4.765,34 3.498,35 3.747,36 5.542,37 3.635,38 4.405,39 4.635,40 3.443,41 3.711,42 5.33,43 3.589,44 4.418,45 4.68,46 3.334,47 3.628,48 5.309,49 3.496,50 4.195,51 4.446,52 3.138,53 3.439,54 5.085,55 3.309,56 0.056,57 0.685,58 9.145,59 3.907,60 6.95,61 5.242,62 0.163,63 1.109,64 16.808,65 6.318,66 14.143,67 8.8,68 0.19,69 1.317,70 23.453,71 8.784,72 25.75,73 12.338,74 0.264,75 1.236,76 24.534,77 8.639,78 46.309,79 11.83,80 0.283,81 1.045,82 21.099,83 7.671,84 42.677,85 10.556,86 0.095,87 0.972,88 17.651,89 7.21,90 22.002,91 10.165,92 0.154,93 0.962,94 18.868,95 6.932,96 25.382,97 10.013,98 0.117,99 0.767,100 14.848,101 5.646,102 18.257,103 8.044,104 2,105 38,106 0.251,107 0.576,108 0.695,109 0.809,110 0.831,111 0.831,112 3.266,113 0.913,114 -3.62,115 -3.59,116 -3.42,119 44.4,125 4,135 2,142 8,143 3,146 1,152 1,158 1,168 1,172 12,174 1,175 4,180 2,183 14,187 7,190 1,192 3,195 11,199 6,204 3,207 7,212 3,215 1,217 3,220 7,224 4,229 4,232 7,237 4,242 3,245 8,250 1,255 1,258 7,263 2,266 2,268 1,271 4,275 873,276 17.413,277 17.413,278 17.413,279 17.413,280 17.413,281 15.36,282 10.372,283 10.451,284 17.65,285 13.826,286 13.826,287 13.826,288 13.826,289 13.826,290 10.67,291 13.198,292 4.96,293 14.164,294 4.019,295 2.116,296 1.422,297 0.756,298 0.622,299 0.622,300 3.97,303 1,304 1,305 1,306 649,307 2.828,310 58.768,311 241.746,314 109.851,318 1.904,319 16.341,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 292,332 4.533,333 3.693,334 6.526,335 4.045,336 3.063,337 4.486,338 1.2,339 10.265,340 3.005,341 4.264,342 3.063,343 6.391,344 3.957,345 2.973,346 3.811,347 0.4,348 9.667,349 2.926,350 3.864,351 2.578,352 5.42,353 3.499,354 2.514,355 3.237,356 0.293,357 7.116,358 2.476,359 3.467,360 2.419,361 5.171,362 3.108,363 2.139,364 2.815,366 6.188,367 2.064,368 3.281,369 2.034,370 5.073,371 2.949,372 1.972,373 2.43,375 5.877,376 1.923,377 3.046,378 1.838,379 4.186,380 2.528,381 1.546,382 2.318,384 3.765,385 1.516,386 2.775,387 1.667,388 3.899,389 2.45,390 1.497,391 1.81,393 3.319,394 1.423,395 2.66,396 1.546,397 3.593,398 2.197,399 1.205,400 1.671,402 2.815,403 1.194,404 2.5,405 1.203,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.405,414 1.146,415 3.377,416 1.967,417 1,418 1.25,420 2.136,421 0.965,422 2.112,423 1,424 3.247,425 1.868,426 0.878,427 1,428 2.07,429 0.863,430 2,431 0.809,432 3.232,433 1.716,434 0.709,435 0.944,436 1.681,437 0.709,438 1.958,439 0.435,440 2.97,441 1.38,442 0.386,443 0.595,445 0.917,446 0.383,447 1.027,448 -0.101,449 2.373,450 0.626,451 -0.379,452 -0.488,454 -0.904,455 -0.378,456 0.7,457 -0.405,458 2.104,459 0.247,460 -0.745,461 -0.814,463 -1.61,464 -0.734,465 11.933,466 0.477,467 0.448,468 0.018,469 33,470 1.32,471 17,472 0.68,473 16,474 0.64,475 17.41,476 0.696,477 25.867,478 0.575,479 22.991,480 0.92,481 6.78,482 0.271,483 5.53,484 0.221,485 0.028,487 0.285,493 0.734,494 1.155,495 0.787,496 0.975,497 0.562,498 0.897,499 0.922,500 1.128,501 0.961,502 0.983,503 0.639,504 0.965,505 0.925,506 0.999,507 0.955,508 1.013,509 0.777,510 0.986,511 1.561,512 1.006,513 1.127,514 1.021,515 1.881,516 1.032,517 1.349,518 0.855,519 1.065,520 0.91,521 1.781,522 0.961,523 0.638,524 1.112,525 0.969,526 1.138,527 0.634,528 1.105,529 0.81,530 0.936,531 0.956,532 0.954,533 0.671,534 0.966,535 0.821,536 0.942,537 0.989,538 1.002,539 0.821,540 1.013,541 3.5,542 0.115,543 2.889,544 1.479,545 0.796,546 0.486,547 0.372,548 0.205,549 0.108,550 0.128,551 8527,552 20263,553 2.179,554 44.4,556 18,559 2,564 1.672,565 2.113,566 3.504,567 0.233,568 1,569 1,573 66.256,574 1.472,575 3.376,576 4.07,577 4.736,578 4.87,579 4.87,580 2.919,581 4.214,582 4.618,583 3.671,584 1101.36,585 7.942,586 13891,588 1,590 1,591 247.133,592 1.078,593 4.606,594 0.125,595 0.007,596 0.076,597 0.04,598 0.027,599 0.019,600 0.015,601 0.009,602 0.006,603 0.008,604 0.332,605 0.5,606 1,607 0.372,608 123.075,609 0.04,610 0.001,611 0.056,612 0.017,613 -0.012,614 0.033,615 -0.022,616 -0.012,617 -0.06,618 -0.021,619 -0.008,620 -0.038,621 -0.011,622 0.005,623 0.001,624 -0.033,625 0.068,626 -0.013,627 -0.198,628 -0.056,629 -0.117,630 -0.049,631 -0.166,632 -0.07,633 -0.095,634 0.077,635 -0.061,636 0.081,637 -0.173,638 0.021,639 0.01,640 -0.164,641 -0.033,642 -0.117,643 0.013,644 -0.089,645 -0.04,646 0.006,647 0.027,648 0.036,649 0.015,650 0.04,651 -0.05,652 -0.003,653 -0.019,655 -0.061,656 -0.003,657 1.559,658 5.469,659 0.84,660 23.357,661 0.996,662 1.123,663 2.39,664 5.71,665 0.679,666 3.367,667 3.664,668 3.951,669 4.174,670 4.344,671 4.317,672 4.419,673 4.489,674 4.489,675 4.595,676 6.868,677 0.645,678 332.44,679 3.367,680 4.89,681 5.74,682 6.6,683 7.461,684 8.326,685 9.191,686 10.057,687 10.924,688 11.792,689 8.9,691 1,696 1,697 1,699 1,703 2,704 8,705 1,706 1,709 3,711 16,719 1,731 45,733 18,734 2,735 28,737 48,738 20,739 13,740 4,741 8,742 3,746 4,747 5,761 16,762 4,766 2,771 1,773 2,775 1,777 1,778 1,781 20,782 4,783 2,784 5,790 4,794 0.75,795 1,803 1,811 1,812 3,815 1,831 2,835 1,840 3,848 25,854 4,855 1,859 1,870 2.2,873 1,877 11.833,878 7.9,879 5.528,880 2.725,881 3.813,882 1.518,883 1.03,884 4.53,885 11.177,886 3.664,887 4.245,888 4.878,889 5.45,890 5.943,891 6.239,892 6.66,893 7.041,894 7.276,895 7.737,896 0.875,897 37,898 9.239,900 3.93,901 7.62,902 17.912,904 14.845,905 2.12,906 53,909 1,910 211.88,911 121.735,912 54.461,914 25.145,917 121.735,918 237.025,919 54.461,921 11.547,922 112.773,923 46.513,924 27.751,925 2.757,926 211.88,928 211.88,929 176.196,930 25.145,933 211.88,934 25.145,937 48.365,938 92.215,939 35.616,941 211.88,942 79.606,943 121.735,946 211.88,947 26.972,948 97.887,949 34.674,950 41.808,951 211.88,952 79.606,953 121.735,955 0.574,956 0.342,957 0.184,958 0.095,959 19,960 7,961 0.063,962 3,963 1,964 1.095,965 3.92,966 202.21,967 0.095,968 21,969 105.342,974 15.915,975 7.116,976 3.444,977 2.059,978 62.943,979 15.767,980 4.288,981 3.053,984 2.776,986 34.674,987 413.221,988 38,993 12.469,995 4.043,997 0.108,999 44.803,1000 50.524,1001 0.268,1002 0.615,1003 0.741,1004 0.862,1005 0.887,1006 0.887,1007 4.875,1008 1.205,1009 5.694,1010 3.319,1011 4.344,1012 4.931,1013 1.435,1014 6.472,1015 4.302,1016 6.061,1017 1,1018 7.229,1019 2.815,1020 3.761,1021 4.605,1022 0.325,1023 7.318,1024 3.705,1025 7.352,1026 1,1027 8.869,1028 2.275,1029 5.9,1030 7.139,1031 1.523,1032 10.419,1033 5.82,1034 8.684,1035 0.878,1036 10.574,1037 2.136,1038 6.217,1039 7.757,1040 0.653,1041 12.144,1042 6.126,1043 10.054,1044 0.709,1045 12.322,1046 2.07,1047 7.755,1048 9.684,1049 1.741,1050 14.73,1051 7.641,1052 11.452,1053 0.386,1054 14.099,1055 1.681,1056 8.489,1057 10.749,1058 1.001,1059 16.798,1060 8.363,1061 12.87,1062 -0.379,1063 15.896,1064 0.917,1065 9.775,1066 12.423,1067 1.993,1068 19.211,1069 9.629,1070 3.063,1071 -0.745,1072 17.709,1073 -0.904,1074 10.707,1075 13.707,1076 1.37,1077 21.419,1078 10.546,1079 2.973,1080 10.265,1081 19.533,1082 -1.61,1083 11.886,1084 15.272,1085 2.264,1086 23.769,1087 11.706,1088 2.514,1089 9.667,1090 21.366,1091 4.486,1092 12.91,1093 16.664,1094 1.754,1095 26.035,1096 12.714,1097 2.139,1098 7.116,1099 23.205,1100 3.811,1101 14.044,1102 18.183,1103 2.551,1104 28.361,1105 13.83,1106 1.972,1107 6.188,1108 25.05,1109 3.237,1110 15.112,1111 19.627,1112 2.143,1113 30.653,1114 14.88,1115 1.546,1116 5.877,1117 26.899,1118 2.815,1119 16.228,1120 21.129,1121 2.851,1122 32.971,1123 15.978,1124 1.497,1125 3.765,1126 28.751,1127 2.43,1128 17.316,1129 22.598,1130 2.535,1131 35.274,1132 17.048,1133 7883,1134 12265,1135 19.474,1136 30.569,1137 42.444,1138 42.775,1139 42.43,1140 41.793,1141 41.765,1142 55.734,1143 3.786,1144 116.181,1145 40.892,1146 5.533,1147 5.693,1148 6.328,1149 5.112,1150 5.063,1151 7.486,1152 2.293,1153 17.009,1154 5.005,1155 6.241,1156 1.516,1157 1.528,1158 1.515,1159 1.493,1160 1.492,1161 1.991,1162 0.135,1163 4.149,1164 1.46,1165 4.111,1166 4.149,1167 4.074,1168 4.016,1169 7.428,1170 4.024,1171 3.95,1172 3.984,1173 3.896,1174 3.874,1175 5.093,1176 3.874,1177 3.771,1178 3.838,1179 3.659,1180 3.58,1181 4.728,1182 3.591,1183 3.477,1184 3.528,1185 3.387,1186 3.366,1187 4.413,1188 3.364,1189 3.271,1190 3.323,1191 3.197,1192 3.072,1193 4.377,1194 3.094,1195 3.111,1196 3.206,1197 2.952,1198 2.941,1199 4.124,1200 2.91,1201 3.054,1202 3.126,1203 2.866,1204 2.832,1205 3.703,1206 2.852,1207 2.866,1208 2.931,1209 2.733,1210 2.735,1211 3.674,1212 2.725,1213 0.162,1214 0.132,1215 0.233,1216 0.144,1217 0.109,1218 4.533,1219 0.16,1220 3.693,1221 0.043,1222 6.526,1223 0.367,1224 4.045,1225 0.107,1226 3.063,1227 4.486,1228 1.2,1229 10.265,1230 3.005,1231 1.964,1232 1.942,1233 2.059,1234 2.053,1235 1.255,1236 2.054,1237 1.904,1238 1.881,1239 2.007,1240 1.994,1241 1.163,1242 2.001,1243 1.731,1244 1.66,1245 1.941,1246 1.932,1247 1.091,1248 1.942,1249 1.521,1250 1.47,1251 1.657,1252 1.742,1253 0.825,1254 1.712,1255 1.168,1256 1.118,1257 1.513,1258 1.432,1259 0.704,1260 1.429,1261 1.153,1262 1.064,1263 1.318,1264 1.376,1265 0.395,1266 1.402,1267 0.993,1268 0.934,1269 1.212,1270 1.262,1271 0.291,1272 1.255,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.043,1281 5.342,1282 2.398,1283 6.845,1284 4.727,1285 8.431,1286 6.823,1287 10.057,1295 3.274,1296 3.262,1300 1.901,1305 29.015,1306 66.256,1307 151.914,1308 183.133,1309 213.133,1310 219.133,1311 219.133,1312 33.477,1313 7.364,1314 61.02,1315 61.02,1316 23,1317 12.337,1318 4.248,1319 3.459,1320 36.262,1321 105,1322 88,1323 0.168,1324 177.871,1325 301.45,1326 425.764,1327 17016,1329 17.062,1330 0.682,1331 0.556,1332 17.062,1333 13.905,1334 12.31,1335 0.44,1336 0.304,1337 8.427,1338 11.939,1339 8.276,1340 6.842,1341 12.31,1342 8.524,1343 10.661,1344 0.281,1345 0.162,1346 10.661,1347 6.152,1348 9.456,1349 0.185,1350 0.088,1351 9.456,1352 4.495,1353 7.713,1354 0.121,1355 0.048,1356 7.713,1357 3.073,1358 6.066,1359 0.08,1360 0.027,1361 6.066,1362 2.055,1363 0.271,1364 76.418,1365 0.227,1366 24.812,1367 0.439,1368 132,1369 343.691,1370 141.458,1371 339.888,1372 473.47,1373 320,1374 155,1375 355.031,1376 165.624,1377 361.553,1378 527.98,1379 342,1380 5}
{0 CHEMBL191003,1 2.109,2 11.074,3 2.35,4 5.521,5 95.039,6 10.113,7 0.586,8 3.831,9 3.929,10 3.765,11 3.35,12 5.175,13 3.377,14 4.294,15 4.403,16 4.067,17 3.692,18 5.973,19 3.726,20 4.516,21 4.664,22 4.096,23 3.74,24 6.069,25 3.787,26 4.554,27 4.712,28 4.082,29 3.625,30 6.416,31 3.691,32 4.417,33 4.611,34 3.837,35 3.475,36 5.937,37 3.54,38 4.269,39 4.458,40 3.821,41 3.419,42 5.905,43 3.466,44 4.198,45 4.384,46 3.609,47 3.348,48 5.662,49 3.355,50 4.157,51 4.363,52 3.564,53 3.28,54 5.69,55 3.266,56 0.28,57 0.806,58 5.893,59 3.296,60 51.983,61 2.568,62 0.606,63 1.202,64 9.485,65 5.675,66 100.388,67 5.195,68 0.899,69 1.4,70 14.956,71 6.625,72 134.378,73 5.539,74 1.301,75 1.388,76 16.792,77 6.27,78 212.248,79 5.613,80 0.974,81 1.096,82 15.43,83 4.543,84 144.126,85 4.411,86 0.731,87 1.1,88 12.195,89 4.218,90 95.054,91 4.437,92 0.721,93 0.9,94 10.559,95 3.884,96 97.31,97 3.563,98 0.71,99 0.783,100 13.325,101 4.612,102 102.648,103 5.149,104 51,105 43,106 0.369,107 0.67,108 0.765,109 0.826,110 0.826,111 0.826,112 3.34,113 0.913,114 -4.08,115 -4.02,116 -3.81,119 38.5,142 7,143 1,144 4,150 1,158 1,162 1,163 2,164 2,165 2,166 1,172 4,174 4,175 2,177 4,178 6,180 2,183 5,186 1,187 5,189 1,190 2,192 4,195 3,197 2,198 1,199 13,201 1,202 1,203 1,204 3,206 1,209 3,212 10,215 1,217 1,224 5,227 2,228 1,229 4,231 1,234 4,237 3,242 5,245 2,247 3,249 4,250 2,252 2,253 2,255 1,258 2,262 2,265 1,266 1,271 4,275 1064,276 17.264,277 17.264,278 17.264,279 17.264,280 17.264,281 14.707,282 22.758,283 9.764,284 17.762,285 14.26,286 14.26,287 14.26,288 14.26,289 14.26,290 10.359,291 34.444,292 4.596,293 15.122,294 3.177,295 1.459,296 0.914,297 0.564,298 0.564,299 0.564,300 4.01,304 1,305 1,306 626,307 3.742,310 80.447,311 194.893,318 1.786,319 59.349,322 1,323 0.83,324 1,325 0.4,327 0.83,328 0.5,329 0.65,330 63,331 299,332 4.801,333 4.661,334 7.111,335 4.229,336 3.314,337 4.66,338 0.98,339 11.657,340 3.096,341 4.565,342 3.763,343 6.848,344 4.176,345 3.212,346 4.238,347 0.4,348 11.222,349 3,350 4.236,351 3.119,352 6.215,353 3.78,354 2.849,355 3.902,357 9.139,358 2.643,359 3.893,360 2.854,361 5.523,362 3.469,363 2.508,364 3.43,366 7.426,367 2.41,368 3.462,369 2.592,370 5.069,371 3.004,372 2.045,373 2.762,375 5.962,376 1.95,377 3.232,378 2.528,379 4.841,380 2.787,381 1.879,382 2.481,384 5.104,385 1.678,386 3.146,387 1.973,388 4.713,389 2.687,390 1.723,391 2.355,393 4.781,394 1.654,395 2.962,396 1.607,397 4.534,398 2.477,399 1.512,400 2.127,402 4.416,403 1.451,404 2.706,405 1.356,406 4.028,407 2.232,408 1.258,409 1.776,411 3.163,412 1.219,413 2.5,414 1.238,415 3.51,416 2,417 1,418 1.5,420 2.275,421 1,422 2.269,423 1,424 3.414,425 1.726,426 0.737,427 1.066,428 1.888,429 0.715,430 1.314,431 0.848,432 3,433 0.959,434 0.029,435 0.035,436 0.078,437 0.027,438 1.171,439 0.474,440 2.634,441 0.74,442 -0.197,443 -0.249,445 -0.482,446 -0.175,447 1,448 0.159,449 2.567,450 0.557,451 -0.347,452 -0.445,454 -0.757,455 -0.303,456 1,457 -0.098,458 2.352,459 0.306,460 -0.62,461 -0.756,463 -1.495,464 -0.569,465 12.305,466 0.456,467 1.008,468 0.037,469 39.25,470 1.454,471 21.5,472 0.796,473 17.75,474 0.657,475 17.715,476 0.656,477 29.695,478 0.761,479 32.922,480 1.219,481 7.94,482 0.294,483 4.724,484 0.175,485 0.193,486 0.068,487 0.358,491 2,493 0.646,494 1.041,495 0.758,496 1.125,497 0.716,498 0.77,499 0.55,500 0.967,501 0.806,502 1.087,503 0.56,504 0.952,505 1.151,506 1.192,507 1.03,508 1.073,509 1.067,510 1.004,511 0.97,512 1.045,513 0.992,514 1.045,515 0.945,516 1.083,517 1.17,518 0.934,519 0.86,520 0.672,521 1.132,522 0.816,523 0.766,524 0.941,525 0.83,526 0.838,527 0.672,528 0.904,529 1.116,530 0.933,531 1.133,532 0.961,533 1.064,534 1.184,535 0.797,536 0.728,537 0.836,538 0.784,539 0.845,540 0.929,541 7.5,542 0.132,543 3.778,544 3.007,545 1.526,546 1.091,547 0.719,548 0.371,549 0.314,550 0.29,551 8604,552 38044,553 1.963,554 30.8,556 7,559 5,564 1.698,565 1.77,566 3.394,567 2.694,568 1,569 1,573 82.243,574 2.109,575 3.826,576 4.371,577 4.721,578 4.721,579 4.721,580 2.908,581 3.912,582 4.727,583 3.624,584 1272.16,585 8.189,586 16517.3,588 1,590 1,591 206.131,592 1.74,593 4.637,594 0.259,595 0.007,596 0.088,597 0.07,598 0.038,599 0.033,600 0.022,601 0.015,602 0.014,603 0.013,604 0.558,605 0.17,606 1,607 0.857,608 134.659,609 -0.067,610 -0.029,611 0.128,612 -0.004,613 -0.17,614 0.103,615 0.175,616 0.01,617 -0.017,618 -0.092,619 0.151,620 -0.076,621 -0.226,622 -0.193,623 -0.149,624 -0.116,625 -0.153,626 -0.082,627 0.123,628 -0.021,629 -0.098,630 -0.148,631 0.153,632 -0.18,633 -0.225,634 -0.076,635 -0.033,636 0.101,637 -0.212,638 0.111,639 0.086,640 0.032,641 0.019,642 -0.001,643 0.097,644 0.007,645 -0.223,646 0.053,647 -0.273,648 -0.09,649 -0.22,650 -0.258,651 0.068,652 0.079,653 0.157,654 0.131,655 0.001,656 0.144,657 4.761,658 5.768,659 0.63,660 24.735,661 1.057,662 1.151,663 2.847,664 8.105,665 0.691,666 3.401,667 3.784,668 4.007,669 4.234,670 4.344,671 4.419,672 4.466,673 4.533,674 4.575,675 4.727,676 6.705,677 0.701,678 394.4,679 3.401,680 4.977,681 5.826,682 6.725,683 7.589,684 8.488,685 9.358,686 10.256,687 11.129,688 12.027,689 15.4,693 2,697 2,699 2,704 7,705 2,709 7,710 1,711 17,722 1,724 1,730 2,731 39,733 20,734 2,735 29,737 41,738 15,739 14,740 5,741 7,742 1,746 3,747 3,761 15,766 3,769 1,771 3,775 1,778 1,779 2,781 12,782 10,783 5,784 12,785 1,790 6,794 1,795 3,811 1,812 2,840 3,842 1,846 2,848 27,849 2,852 1,855 1,867 1,869 2,870 7.7,873 3,877 15.25,878 6.802,879 5.722,880 1.896,881 3.242,882 1.451,883 1.017,884 4.934,885 10.433,886 3.726,887 4.41,888 4.926,889 5.471,890 5.867,891 6.108,892 6.397,893 6.7,894 7.025,895 7.468,896 1,897 43,898 10.298,900 4.93,901 8.602,902 17.526,904 14.26,905 3.102,906 83.75,910 82.398,911 106.379,912 117.424,914 69.458,915 29.92,916 5.807,917 100.572,918 151.856,919 147.345,922 136.33,923 107.611,924 47.422,925 31.819,926 82.398,928 82.398,929 217.996,930 99.378,931 5.807,933 112.318,934 69.458,937 23.586,938 160.962,939 39.256,941 112.318,942 186.882,943 106.379,945 5.807,946 82.398,947 34.238,948 68.11,949 18.011,950 197.015,951 82.398,952 216.803,953 106.379,955 0.605,956 0.346,957 0.175,958 0.083,959 21,960 11,961 0.098,962 4,964 1,965 3.742,966 227.134,968 17,969 116.382,973 1,974 18.92,975 7.042,976 3.955,978 215.026,979 8.232,980 7.571,984 -3.225,985 0.544,986 82.199,987 405.579,988 40.5,991 -3.844,993 34.78,997 -1.131,999 41.229,1000 44.878,1001 0.399,1002 0.724,1003 0.827,1004 0.893,1005 0.893,1006 0.893,1007 4.985,1008 1.512,1009 5.883,1010 4.781,1011 4.466,1012 5.097,1013 1.176,1014 6.758,1015 4.351,1016 6.266,1017 1.258,1018 7.501,1019 4.416,1020 4.369,1021 5.263,1023 7.96,1024 4.154,1025 7.637,1026 1,1027 9.226,1028 3.163,1029 6.18,1030 7.447,1031 1.063,1032 10.982,1033 5.935,1034 9.046,1035 0.737,1036 11.013,1037 2.275,1038 6.836,1039 8.377,1041 12.954,1042 6.486,1043 10.487,1044 0.029,1045 12.841,1046 1.888,1047 8.219,1048 10.121,1049 1.022,1050 15.575,1051 7.835,1052 11.95,1053 -0.197,1054 14.697,1055 0.078,1056 9.182,1057 11.373,1059 17.833,1060 8.699,1061 13.43,1062 -0.347,1063 16.572,1064 -0.482,1065 10.422,1066 12.963,1067 0.993,1068 20.329,1069 9.894,1070 3.314,1071 -0.62,1072 18.463,1073 -0.757,1074 11.509,1075 14.354,1077 22.694,1078 10.893,1079 3.212,1080 11.657,1081 20.365,1082 -1.495,1083 12.702,1084 15.889,1085 0.967,1086 25.15,1087 12.031,1088 2.849,1089 11.222,1090 22.276,1091 4.66,1092 13.84,1093 17.344,1095 27.558,1096 13.09,1097 2.508,1098 9.139,1099 24.194,1100 4.238,1101 15.019,1102 18.861,1103 0.942,1104 30.002,1105 14.207,1106 2.045,1107 7.426,1108 26.117,1109 3.902,1110 16.179,1111 20.347,1113 32.428,1114 15.294,1115 1.879,1116 5.962,1117 28.045,1118 3.43,1119 17.356,1120 21.861,1121 0.917,1122 34.868,1123 16.406,1124 1.723,1125 5.104,1126 29.976,1127 2.762,1128 18.527,1129 23.363,1131 37.303,1132 17.506,1133 8515,1134 18059,1135 18.205,1136 26.966,1137 44.817,1138 47.088,1139 46.439,1140 44.294,1141 44.134,1142 60.668,1143 2.76,1144 134.225,1145 41.689,1146 5.592,1147 6.661,1148 6.657,1149 5.296,1150 5.314,1151 7.66,1152 1.96,1153 19.075,1154 5.096,1155 17.754,1156 1.545,1157 1.624,1158 1.601,1159 1.527,1160 1.522,1161 2.092,1162 0.095,1163 4.628,1164 1.438,1165 4.076,1166 4.088,1167 4.728,1168 4.051,1169 8.211,1170 3.969,1171 3.986,1172 3.998,1173 3.996,1174 3.861,1175 8.191,1176 3.874,1177 3.815,1178 3.861,1179 3.811,1180 3.608,1181 7.726,1182 3.623,1183 3.617,1184 3.618,1185 3.669,1186 3.479,1187 7.428,1188 3.448,1189 3.145,1190 3.17,1191 3.103,1192 2.944,1193 6.999,1194 2.973,1195 2.956,1196 3.076,1197 2.913,1198 2.735,1199 5.23,1200 2.753,1201 2.937,1202 2.985,1203 2.831,1204 2.73,1205 4.835,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.658,1211 4.741,1212 2.681,1213 0.166,1214 0.161,1215 0.245,1216 0.146,1217 0.114,1218 4.801,1219 0.161,1220 4.661,1221 0.034,1222 7.111,1223 0.402,1224 4.229,1225 0.107,1226 3.314,1227 4.66,1228 0.98,1229 11.657,1230 3.096,1231 1.954,1232 1.96,1233 1.983,1234 2.031,1235 1.15,1236 2.063,1237 1.888,1238 1.87,1239 1.959,1240 2.01,1241 1.047,1242 1.989,1243 1.486,1244 1.504,1245 1.514,1246 1.737,1247 0.549,1248 1.716,1249 1.423,1250 1.361,1251 1.374,1252 1.698,1253 0.432,1254 1.681,1255 1.21,1256 1.151,1257 1.232,1258 1.497,1259 0.218,1260 1.464,1261 0.916,1262 0.859,1263 1.181,1264 1.212,1265 0.169,1266 1.188,1267 0.886,1268 0.821,1269 1.118,1270 1.074,1271 0.072,1272 1.107,1273 0.832,1274 0.787,1275 1.035,1276 1.062,1277 0.039,1278 1.047,1279 4.078,1281 5.442,1282 2.398,1283 6.984,1284 4.727,1285 8.603,1286 6.804,1287 10.261,1291 27.536,1293 10.606,1296 2.681,1305 27.334,1306 82.243,1307 149.218,1308 170.479,1309 184.131,1310 184.131,1311 184.131,1312 82.645,1313 7.191,1314 145.99,1315 154.37,1316 17,1317 12.555,1318 4.392,1319 3.644,1320 47.186,1321 110,1322 95,1323 0.214,1324 172.411,1325 297.54,1326 412.442,1327 12325,1328 5.1,1329 19.767,1330 0.732,1331 0.528,1332 18.277,1333 14.243,1334 12.664,1335 0.437,1336 0.304,1337 7.236,1338 11.164,1339 7.038,1340 5.806,1341 12.737,1342 8.824,1343 12.62,1344 0.293,1345 0.16,1346 12.942,1347 6.863,1348 9.695,1349 0.18,1350 0.081,1351 9.605,1352 4.369,1353 8.104,1354 0.119,1355 0.04,1356 7.601,1357 2.707,1358 5.499,1359 0.072,1360 0.021,1361 5.571,1362 1.628,1363 0.338,1364 90.536,1365 0.234,1366 26.005,1367 0.578,1368 144,1369 652.182,1370 202.686,1371 596.361,1372 775.71,1373 542,1374 169,1375 532.417,1376 233.021,1377 556.741,1378 810.21,1379 519,1380 5}
{0 CHEMBL1910989,1 1.625,2 8.786,3 2.767,4 7.658,5 107.391,6 7.48,7 0.5,8 4.072,9 4.198,10 3.666,11 3.503,12 5.09,13 3.521,14 4.666,15 4.861,16 4.037,17 3.895,18 5.671,19 3.895,20 4.842,21 5.067,22 4.056,23 4.024,24 5.763,25 3.993,26 4.84,27 5.082,28 4.037,29 4.019,30 5.81,31 3.969,32 4.803,33 5.039,34 4.047,35 3.979,36 5.817,37 3.953,38 4.788,39 5.002,40 4.074,41 3.997,42 5.746,43 3.984,44 4.887,45 5.104,46 4.074,47 4.136,48 5.793,49 4.083,50 5.063,51 5.286,52 3.968,53 4.289,54 5.845,55 4.153,56 0.047,57 0.833,58 10.795,59 3.937,60 5.038,61 5.678,62 0.57,63 1.307,64 23.143,65 6.749,66 30.241,67 9.541,68 0.566,69 1.505,70 28.424,71 7.328,72 29.419,73 11.735,74 0.516,75 1.544,76 27.951,77 7.671,78 35.164,79 12.303,80 0.58,81 1.479,82 27.121,83 6.325,84 44.713,85 10.936,86 0.439,87 1.521,88 25.597,89 6.147,90 27.34,91 10.235,92 0.736,93 1.609,94 28.819,95 7.874,96 32.635,97 12.335,98 0.297,99 1.754,100 34.022,101 13.272,102 24.731,103 18.988,104 2,105 45,106 0.272,107 0.524,108 0.655,109 0.691,110 0.697,111 0.697,112 3.376,113 0.905,114 -4.31,115 -4.25,116 -4.01,119 37.3,120 1,125 8,142 4,146 1,150 3,152 1,161 1,172 3,174 10,175 4,183 2,186 2,187 4,195 1,198 8,199 6,207 2,211 4,212 4,220 2,223 3,224 8,236 6,237 6,250 3,262 2,263 4,275 1194,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.774,282 27.828,283 11.749,284 20.444,285 15.875,286 15.875,287 15.875,288 15.875,289 15.875,290 13.074,291 42.412,292 5.64,293 17.301,294 4.047,295 2.539,296 1.755,297 1.544,298 1.505,299 1.505,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 54.513,311 313.943,314 104.72,318 1.117,319 22.912,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 61.5,331 246,332 4.689,333 3.386,334 6.917,335 4.202,336 3.274,337 4.627,338 0.86,339 11.636,340 3.047,341 4.272,342 3.174,343 6.296,344 3.876,345 2.964,346 3.892,347 0.86,348 9.623,349 2.697,350 3.795,351 3.013,352 6.016,353 3.591,354 2.684,355 3.12,356 0.8,357 8.629,358 2.432,359 3.715,360 2.517,361 5.749,362 3.31,363 2.372,364 2.972,365 0.8,366 7.667,367 2.221,368 3.312,369 2.311,370 5.023,371 2.929,372 2,373 2.592,375 5.605,376 1.853,377 3.089,378 2.25,379 4.704,380 2.709,381 1.791,382 2.27,384 4.91,385 1.641,386 2.865,387 2.081,388 4.419,389 2.577,390 1.697,391 1.988,393 4.119,394 1.488,395 2.838,396 1.659,397 4.283,398 2.409,399 1.473,400 1.949,402 4.065,403 1.374,404 2.828,405 1.406,406 3.611,407 2.344,408 1.354,409 1.879,411 2.934,412 1.339,413 2.241,414 1.37,415 3.517,416 2.001,417 1.135,418 1.227,420 2.701,421 0.977,422 2.166,423 1.288,424 3.472,425 1.952,426 1,427 1.132,428 2.509,429 0.946,430 2,431 1.256,432 3.38,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.256,440 3.247,441 1.869,442 1,443 1,445 2.136,446 0.866,447 1.991,448 0.55,449 3.247,450 1.46,451 0.517,452 0.755,454 1.38,455 0.487,456 1.013,457 -0.085,458 2.672,459 0.63,460 -0.32,461 -0.405,463 -0.824,464 -0.303,465 12.967,466 0.463,467 0.551,468 0.02,469 36.25,470 1.295,471 15,472 0.536,473 21.25,474 0.759,475 23.921,476 0.854,477 30.833,478 0.605,479 26.132,480 0.933,481 7.102,482 0.254,483 6.69,484 0.239,485 0.039,487 0.324,493 0.915,494 1.832,495 0.738,496 1.383,497 0.794,498 1.078,499 1.267,500 0.875,501 0.917,502 0.835,503 1.01,504 0.831,505 1.229,506 1.183,507 0.976,508 0.861,509 1.103,510 0.868,511 0.75,512 1.047,513 0.949,514 0.974,515 1.052,516 0.975,517 0.949,518 1.148,519 0.947,520 0.834,521 1.242,522 0.851,523 1.165,524 1.279,525 1.094,526 1.018,527 1.042,528 1.005,529 0.999,530 0.829,531 1.197,532 0.859,533 0.932,534 1.003,535 0.675,536 1.197,537 1.174,538 1.494,539 0.81,540 1.441,541 4,542 0.033,543 2.667,544 1.979,545 1.023,546 1.045,547 0.772,548 0.396,549 0.183,550 0.107,551 9383,552 23036,553 2.223,554 45.1,556 20,560 3,564 1.72,565 2.154,566 3.112,567 -0.671,568 1,569 1,573 82.89,574 1.625,575 3.134,576 3.917,577 4.128,578 4.167,579 4.167,580 2.397,581 3.852,582 4.78,583 3.262,584 1233.09,585 8.365,586 15885.7,588 1,590 1,591 289.294,592 1.108,593 4.769,594 0.125,595 0.004,596 0.059,597 0.043,598 0.023,599 0.023,600 0.017,601 0.009,602 0.005,603 0.004,604 0.312,605 0.33,606 0.88,607 0.343,608 136.94,609 -0.038,610 -0.561,611 0.108,612 -0.275,613 0.012,614 -0.089,615 0.022,616 0.243,617 0.057,618 0.122,619 0.081,620 0.081,621 -0.149,622 -0.125,623 -0.002,624 0.092,625 -0.094,626 0.071,627 0.053,628 0.054,629 -0.001,630 -0.039,631 -0.004,632 -0.035,633 -0.007,634 -0.039,635 0.018,636 0.072,637 -0.071,638 0.062,639 -0.201,640 -0.1,641 -0.153,642 -0.108,643 -0.149,644 -0.111,645 -0.05,646 0.323,647 -0.262,648 0.093,649 -0.092,650 -0.077,651 -0.033,652 -0.187,653 -0.277,654 -0.383,655 -0.092,656 -0.373,657 1.066,658 1.992,659 0.964,660 22.194,661 1.009,662 1.142,663 3.081,664 9.491,665 0.648,666 3.497,667 3.829,668 4.159,669 4.489,670 4.754,671 4.852,672 5.088,673 5.263,674 5.366,675 5.464,676 5.622,677 0.623,678 381.49,679 3.497,680 5.043,681 5.916,682 6.81,683 7.702,684 8.606,685 9.507,686 10.416,687 11.323,688 12.235,689 13.7,695 2,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 51,733 16,734 1,735 32,737 55,738 19,739 10,740 2,741 4,746 5,747 6,752 1,761 10,762 9,778 1,781 23,782 8,784 9,787 1,790 7,794 0.8,795 2,811 1,812 4,815 1,839 2,840 4,844 1,848 28,854 8,856 2,859 2,870 3.9,874 2,877 13,878 9.567,879 6.083,880 3.196,881 3.187,882 1.407,883 1.009,884 4.848,885 11.016,886 3.714,887 4.314,888 4.955,889 5.62,890 6.188,891 6.571,892 7.075,893 7.531,894 7.794,895 8.166,896 0.833,897 46,898 10.362,900 4.418,901 7.536,902 20.215,904 16.781,905 2.036,906 57,909 1,910 270.735,911 85.836,912 75.29,914 22,917 85.836,918 292.735,919 75.29,920 8.825,921 26.792,922 37.905,923 91.47,924 10.292,925 7.841,926 270.735,928 270.735,929 161.126,930 22,933 270.735,935 22,937 47.686,938 46.298,939 67.142,941 270.735,942 97.29,943 85.836,946 270.735,947 39.106,948 54.878,950 89.142,951 270.735,952 97.29,953 85.836,955 0.577,956 0.345,957 0.202,958 0.114,959 24,960 9,961 0.055,962 3,963 1,964 1.074,965 3.953,966 264.087,967 0.074,968 27,969 110.606,974 17.801,975 7.625,976 3.47,977 1.924,978 95.391,979 8.047,980 19.091,984 2.83,985 2.005,987 453.861,988 40,999 51.436,1000 58.229,1001 0.287,1002 0.552,1003 0.691,1004 0.728,1005 0.735,1006 0.735,1007 4.963,1008 1.473,1009 5.889,1010 4.119,1011 4.511,1012 5.001,1013 1.771,1014 6.725,1015 4.347,1016 6.146,1017 1.354,1018 7.452,1019 4.065,1020 4.007,1021 4.796,1022 0.57,1023 7.656,1024 3.759,1025 7.452,1026 1.135,1027 9.121,1028 2.934,1029 6.111,1030 7.22,1031 1.413,1032 10.82,1033 5.784,1034 8.798,1035 1,1036 10.856,1037 2.701,1038 6.494,1039 7.934,1040 0.479,1041 12.64,1042 6.081,1043 10.186,1044 1,1045 12.634,1046 2.509,1047 8.028,1048 9.814,1049 1.15,1050 15.3,1051 7.542,1052 11.602,1053 1,1054 14.441,1055 2.136,1056 8.83,1057 10.961,1058 0.346,1059 17.478,1060 8.261,1061 13.042,1062 0.517,1063 16.27,1064 2.136,1065 10.129,1066 12.622,1067 0.93,1068 19.975,1069 9.489,1070 3.274,1071 -0.32,1072 18.115,1073 1.38,1074 11.127,1075 13.973,1076 0.237,1077 22.303,1078 10.409,1079 2.964,1080 11.636,1081 19.973,1082 -0.824,1083 12.334,1084 15.545,1085 0.742,1086 24.753,1087 11.545,1088 2.684,1089 9.623,1090 21.84,1091 4.627,1092 13.421,1093 16.99,1094 0.158,1095 27.144,1096 12.558,1097 2.372,1098 8.629,1099 23.715,1100 3.892,1101 14.595,1102 18.529,1103 0.583,1104 29.583,1105 13.662,1106 2,1107 7.667,1108 25.597,1109 3.12,1110 15.724,1111 20.016,1112 0.104,1113 32.004,1114 14.719,1115 1.791,1116 5.605,1117 27.484,1118 2.972,1119 16.888,1120 21.544,1121 0.452,1122 34.444,1123 15.814,1124 1.697,1125 4.91,1126 29.377,1127 2.592,1128 18.038,1129 23.052,1130 0.068,1131 36.879,1132 16.893,1133 8635,1134 13678,1135 22.364,1136 33.04,1137 48.605,1138 48.974,1139 49.009,1140 48.55,1141 48.524,1142 60.809,1143 6.64,1144 140.1,1145 44.626,1146 5.689,1147 5.386,1148 6.719,1149 5.306,1150 5.274,1151 7.627,1152 1.72,1153 18.869,1154 5.047,1155 6.522,1156 1.519,1157 1.53,1158 1.532,1159 1.517,1160 1.516,1161 1.9,1162 0.208,1163 4.378,1164 1.395,1165 4.136,1166 4.183,1167 4.112,1168 3.999,1169 5.133,1170 4.019,1171 3.885,1172 3.945,1173 3.834,1174 3.662,1175 4.923,1176 3.697,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.616,1182 3.533,1183 3.582,1184 3.636,1185 3.491,1186 3.382,1187 4.597,1188 3.401,1189 3.41,1190 3.475,1191 3.308,1192 3.215,1193 4.345,1194 3.235,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.022,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.97,1206 2.91,1207 2.965,1208 3.053,1209 2.843,1210 2.787,1211 3.709,1212 2.786,1213 0.147,1214 0.106,1215 0.216,1216 0.131,1217 0.102,1218 4.689,1219 0.145,1220 3.386,1221 0.027,1222 6.917,1223 0.364,1224 4.202,1225 0.095,1226 3.274,1227 4.627,1228 0.86,1229 11.636,1230 3.047,1231 1.925,1232 1.894,1233 2.014,1234 2.085,1235 1.207,1236 2.053,1237 1.787,1238 1.728,1239 1.942,1240 1.983,1241 1.187,1242 1.98,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.119,1248 1.926,1249 1.582,1250 1.52,1251 1.756,1252 1.818,1253 0.828,1254 1.8,1255 1.365,1256 1.3,1257 1.523,1258 1.619,1259 0.825,1260 1.604,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.504,1272 1.429,1273 0.96,1274 0.903,1275 1.195,1276 1.193,1277 0.293,1278 1.197,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.844,1285 8.665,1286 7.034,1287 10.34,1289 1.979,1295 5.82,1297 10.984,1300 4.32,1305 31.794,1306 82.89,1307 159.828,1308 199.784,1309 210.539,1310 212.539,1311 212.539,1312 31.717,1313 7.829,1314 81.43,1315 81.43,1316 29,1317 12.75,1318 4.087,1319 3.17,1320 37.229,1321 93,1322 90,1323 0.194,1324 191.119,1325 318.86,1326 458.09,1327 25228,1329 18.924,1330 0.676,1331 0.568,1332 18.924,1333 15.913,1334 13.793,1335 0.431,1336 0.302,1337 9.436,1338 12.978,1339 9.282,1340 7.566,1341 13.793,1342 9.654,1343 12.282,1344 0.273,1345 0.154,1346 12.282,1347 6.917,1348 10.788,1349 0.171,1350 0.081,1351 10.788,1352 5.116,1353 9.657,1354 0.11,1355 0.041,1356 9.657,1357 3.652,1358 8.129,1359 0.071,1360 0.021,1361 8.129,1362 2.449,1363 0.293,1364 88.04,1365 0.211,1366 26.047,1367 0.572,1368 154,1369 460.987,1370 176.437,1371 431.788,1372 608.82,1373 412,1374 185,1375 463.399,1376 208.883,1377 460.086,1378 689.72,1379 435,1380 6.538}
{0 CHEMBL1910998,1 1.867,2 8.935,3 3.094,4 9.572,5 109.206,6 8.336,7 0.457,8 4.117,9 4.23,10 3.772,11 3.506,12 5.251,13 3.561,14 4.712,15 4.889,16 4.174,17 3.901,18 6.004,19 3.944,20 4.887,21 5.093,22 4.233,23 4.039,24 6.052,25 4.048,26 4.905,27 5.128,28 4.248,29 4.036,30 6.079,31 4.05,32 4.877,33 5.093,34 4.292,35 3.996,36 6.192,37 4.036,38 4.877,39 5.056,40 4.362,41 4.006,42 6.32,43 4.08,44 4.974,45 5.178,46 4.287,47 4.147,48 6.189,49 4.146,50 5.108,51 5.312,52 4.24,53 4.295,54 6.124,55 4.223,56 0.257,57 0.952,58 9.127,59 4,60 24.138,61 5.029,62 1.025,63 1.56,64 22.103,65 6.882,66 88.151,67 8.429,68 1.104,69 1.64,70 27.757,71 7.338,72 69.064,73 11.156,74 0.903,75 1.789,76 27.689,77 7.918,78 67.771,79 11.336,80 1.077,81 1.819,82 27.241,83 6.51,84 90.131,85 10.042,86 1.152,87 1.951,88 24.928,89 6.508,90 109.099,91 8.374,92 1.399,93 1.955,94 29.477,95 8.135,96 88.36,97 10.989,98 0.898,99 2.102,100 32.695,101 13.59,102 81.196,103 17.817,104 11,105 50,106 0.311,107 0.585,108 0.689,109 0.713,110 0.713,111 0.713,112 3.473,113 0.859,114 -4.08,115 -4.02,116 -3.81,119 36.5,125 8,128 1,142 3,144 1,146 1,150 3,152 1,161 1,172 2,174 10,175 1,180 1,183 1,186 2,187 3,190 1,192 1,198 8,199 4,202 1,204 1,211 4,212 2,223 3,224 5,227 2,236 6,237 3,250 3,253 3,262 2,263 2,275 1604,276 21.275,277 21.275,278 21.275,279 21.275,280 21.275,281 19.513,282 31.911,283 12.6,284 22.322,285 17.326,286 17.326,287 17.326,288 17.326,289 17.326,290 14.475,291 46.06,292 6.011,293 19.073,294 3.834,295 2.188,296 1.567,297 1.423,298 1.423,299 1.423,300 4.183,304 1,305 1,306 610,307 2.828,310 61.532,311 348.024,314 119.13,318 1.116,319 50.744,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71.5,331 277,332 4.752,333 3.663,334 7.048,335 4.275,336 3.346,337 4.703,338 2.375,339 12.135,340 3.114,341 4.296,342 3.254,343 6.323,344 3.897,345 2.988,346 3.923,347 0.86,348 9.7,349 2.714,350 3.934,351 3.116,352 6.129,353 3.591,354 2.684,355 3.376,356 0.86,357 8.736,358 2.432,359 3.795,360 3.013,361 6.016,362 3.548,363 2.618,364 2.972,365 0.8,366 8.629,367 2.421,368 3.519,369 2.719,370 5.628,371 3.2,372 2.313,373 2.765,374 0.8,375 7.158,376 2.044,377 3.261,378 2.362,379 5.073,380 2.881,381 1.966,382 2.505,384 5.677,385 1.797,386 2.963,387 2.25,388 4.563,389 2.616,390 1.701,391 2.141,393 4.599,394 1.546,395 2.935,396 1.995,397 4.283,398 2.577,399 1.697,400 2.013,402 4.065,403 1.488,404 2.838,405 1.686,406 4.147,407 2.455,408 1.493,409 1.879,411 3.605,412 1.431,413 2.341,414 1.558,415 4.013,416 2.038,417 1.18,418 1.313,420 2.865,421 1.006,422 2.237,423 1.306,424 3.513,425 1.952,426 1,427 1.207,428 2.597,429 0.946,430 2.166,431 1.288,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.16,439 1.256,440 3.448,441 1.869,442 1,443 1.031,445 2.136,446 0.866,447 2,448 1.256,449 3.247,450 1.85,451 1,452 1,454 2.136,455 0.834,456 2,457 0.857,458 3.247,459 1.644,460 0.735,461 1,463 1.943,464 0.665,465 13.871,466 0.447,467 0.73,468 0.024,469 39,470 1.258,471 15.5,472 0.5,473 23.5,474 0.758,475 27.235,476 0.879,477 35.329,478 0.679,479 32.722,480 1.056,481 7.828,482 0.253,483 7.286,484 0.235,485 0.065,487 0.375,489 2,493 0.789,494 1.478,495 0.654,496 1.358,497 0.651,498 1.042,499 0.963,500 0.804,501 0.879,502 0.844,503 0.662,504 0.837,505 0.737,506 0.869,507 0.824,508 0.876,509 0.531,510 0.882,511 0.728,512 1.04,513 0.819,514 0.991,515 0.752,516 0.931,517 0.791,518 1.062,519 0.787,520 0.858,521 0.781,522 0.802,523 1.134,524 1.45,525 0.995,526 1.059,527 1.019,528 0.957,529 0.942,530 0.762,531 1.165,532 0.829,533 1.031,534 0.998,535 0.614,536 1.164,537 0.99,538 1.515,539 0.646,540 1.435,541 5,542 0.115,543 3.333,544 2.167,545 1.829,546 1.33,547 0.926,548 0.599,549 0.401,550 0.245,551 11620,552 37083,553 2.16,554 40.4,556 19,557 1,559 1,564 1.748,565 2.044,566 3.144,567 -0.201,569 1,573 97.067,574 1.867,575 3.513,576 4.133,577 4.277,578 4.277,579 4.277,580 2.399,581 4.115,582 4.927,583 3.306,584 1537.23,585 8.671,586 21200.7,588 1,590 1,591 296.423,592 1.332,593 4.896,594 0.143,595 0.007,596 0.067,597 0.041,598 0.035,599 0.024,600 0.016,601 0.011,602 0.008,603 0.007,604 0.358,605 0.5,606 0.88,607 0.646,608 156.294,609 -0.104,610 -0.397,611 0.059,612 -0.239,613 -0.074,614 -0.075,615 -0.009,616 0.222,617 0.005,618 0.125,619 0.109,620 0.07,621 0.043,623 0.075,624 0.078,625 0.072,626 0.076,627 -0.004,628 -0.099,629 0.08,630 -0.055,631 -0.032,632 0.021,633 0.058,634 -0.044,635 0.132,636 0.056,637 0.073,638 0.112,639 -0.084,640 -0.23,641 -0.099,642 -0.129,643 0.133,644 -0.107,645 0.006,646 0.395,647 -0.265,648 0.132,649 -0.057,650 -0.092,651 0.066,652 -0.219,653 -0.116,654 -0.396,655 0.027,656 -0.345,657 4.22,658 5.903,659 0.871,660 26.46,661 1.034,662 1.156,663 2.845,664 8.096,665 0.642,666 3.584,667 3.932,668 4.263,669 4.595,670 4.898,671 5.043,672 5.247,673 5.434,674 5.561,675 5.652,676 5.86,677 0.64,678 433.47,679 3.584,680 5.142,681 6.019,682 6.921,683 7.822,684 8.735,685 9.647,686 10.566,687 11.484,688 12.407,689 13.5,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,728 1,731 52,733 16,734 1,735 35,737 56,738 19,739 10,740 3,741 3,745 1,746 5,747 6,752 1,761 10,762 9,778 1,779 2,781 21,782 11,783 1,784 12,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,846 2,848 31,853 1,854 8,856 2,858 1,859 2,869 2,870 5.8,872 1,874 2,877 15.167,878 9.302,879 6.722,880 3.126,881 3.267,882 1.405,883 0.985,884 5.672,885 11.327,886 3.784,887 4.391,888 5.041,889 5.709,890 6.31,891 6.749,892 7.222,893 7.691,894 8.001,895 8.338,896 0.833,897 53,898 11.677,900 5.255,901 8.016,902 21.557,904 17.933,905 2.516,906 78,909 1,910 235.422,911 75.649,912 75.29,914 64.683,915 29.92,917 75.649,918 300.105,919 105.21,921 26.792,922 36.543,923 134.153,924 40.212,925 19.613,926 223.651,928 235.422,929 150.939,930 94.603,933 235.422,934 72.604,935 22,936 8.115,937 38.861,938 36.822,939 67.142,941 265.342,942 139.973,943 75.649,946 243.537,947 39.106,948 36.576,950 161.745,951 235.422,952 169.893,953 75.649,955 0.583,956 0.347,957 0.199,958 0.118,959 26,960 11,961 0.054,962 3,963 1,964 1.074,965 4.07,966 307.151,967 0.074,968 27,969 127.58,974 20.461,975 8.594,976 3.944,977 0.362,978 167.994,979 4.569,980 17.609,984 0.077,985 1.19,986 42.683,987 480.965,988 43,999 53.789,1000 60.117,1001 0.327,1002 0.616,1003 0.725,1004 0.75,1005 0.75,1006 0.75,1007 5.05,1008 1.697,1009 6.009,1010 4.599,1011 4.615,1012 5.078,1013 2.677,1014 6.866,1015 4.433,1016 6.244,1017 1.493,1018 7.59,1019 4.065,1020 4.205,1021 4.945,1022 2.404,1023 7.851,1024 3.925,1025 7.559,1026 1.18,1027 9.277,1028 3.605,1029 6.24,1030 7.31,1031 3.73,1032 11.014,1033 5.895,1034 8.915,1035 1,1036 11.027,1037 2.865,1038 6.686,1039 8.076,1040 4.231,1041 12.867,1042 6.25,1043 10.311,1044 1,1045 12.819,1046 2.597,1047 8.183,1048 9.924,1049 5.272,1050 15.548,1051 7.682,1052 11.736,1053 1,1054 14.639,1055 2.509,1056 9.023,1057 11.106,1058 6.014,1059 17.759,1060 8.44,1061 13.184,1062 1,1063 16.479,1064 2.136,1065 10.31,1066 12.756,1067 6.948,1068 20.289,1069 9.659,1070 3.346,1071 0.735,1072 18.334,1073 2.136,1074 11.333,1075 14.132,1076 7.767,1077 22.655,1078 10.608,1079 2.988,1080 12.135,1081 20.202,1082 1.943,1083 12.542,1084 15.707,1085 8.66,1086 25.143,1087 11.749,1088 2.684,1089 9.7,1090 22.08,1091 4.703,1092 13.651,1093 17.172,1094 9.507,1095 27.578,1096 12.786,1097 2.618,1098 8.736,1099 23.967,1100 3.923,1101 14.836,1102 18.72,1103 10.383,1104 30.059,1105 13.903,1106 2.313,1107 8.629,1108 25.86,1109 3.376,1110 15.985,1111 20.226,1112 11.241,1113 32.524,1114 14.983,1115 1.966,1116 7.158,1117 27.761,1118 2.972,1119 17.167,1120 21.768,1121 12.11,1122 35.007,1123 16.096,1124 1.701,1125 5.677,1126 29.666,1127 2.765,1128 18.337,1129 23.293,1130 12.972,1131 37.487,1132 17.197,1133 10879,1134 19626,1135 23.868,1136 33.37,1137 53.541,1138 54.303,1139 54.58,1140 53.516,1141 53.44,1142 65.921,1143 11.39,1144 156.98,1145 48.498,1146 5.752,1147 5.663,1148 6.85,1149 5.378,1150 5.346,1151 7.703,1152 3.885,1153 19.581,1154 5.114,1155 12.391,1156 1.53,1157 1.552,1158 1.559,1159 1.529,1160 1.527,1161 1.883,1162 0.325,1163 4.485,1164 1.386,1165 4.142,1166 4.185,1167 4.128,1168 3.997,1169 8.362,1170 4.022,1171 3.886,1172 3.945,1173 3.837,1174 3.662,1175 7.999,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 6.471,1182 3.533,1183 3.59,1184 3.64,1185 3.513,1186 3.381,1187 5.106,1188 3.408,1189 3.456,1190 3.508,1191 3.405,1192 3.213,1193 4.849,1194 3.251,1195 3.111,1196 3.206,1197 3.013,1198 2.941,1199 4.616,1200 2.91,1201 3.111,1202 3.206,1203 2.887,1204 2.941,1205 4.595,1206 2.91,1207 3.054,1208 3.114,1209 2.866,1210 2.795,1211 4.251,1212 2.823,1213 0.136,1214 0.105,1215 0.201,1216 0.122,1217 0.096,1218 4.752,1219 0.134,1220 3.663,1221 0.068,1222 7.048,1223 0.347,1224 4.275,1225 0.089,1226 3.346,1227 4.703,1228 2.375,1229 12.135,1230 3.114,1231 1.917,1232 1.891,1233 1.991,1234 2.085,1235 1.207,1236 2.049,1237 1.785,1238 1.727,1239 1.938,1240 1.984,1241 1.187,1242 1.975,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.109,1248 1.926,1249 1.563,1250 1.51,1251 1.643,1252 1.822,1253 0.825,1254 1.779,1255 1.338,1256 1.284,1257 1.513,1258 1.625,1259 0.825,1260 1.57,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.727,1266 1.429,1267 1.153,1268 1.064,1269 1.426,1270 1.376,1271 0.443,1272 1.429,1273 0.951,1274 0.9,1275 1.115,1276 1.221,1277 0.258,1278 1.173,1279 4.263,1281 5.602,1282 2.398,1283 7.148,1284 4.844,1285 8.785,1286 7.081,1287 10.472,1291 27.807,1294 10.136,1295 4.433,1297 10.819,1299 -2.887,1300 3.883,1305 33.275,1306 97.067,1307 182.671,1308 214.913,1309 222.423,1310 222.423,1311 222.423,1312 57.483,1313 8.06,1314 101.66,1315 101.66,1316 29,1317 12.915,1318 4.087,1319 3.17,1320 43.067,1321 106,1322 108,1323 0.195,1324 197.511,1325 339.79,1326 473.688,1327 33072,1328 3.8,1329 21.372,1330 0.689,1331 0.536,1332 19.794,1333 16.616,1334 15.114,1335 0.432,1336 0.286,1337 9.727,1338 14.024,1339 9.684,1340 7.819,1341 14.204,1342 10.019,1343 13.74,1344 0.275,1345 0.144,1346 12.81,1347 7.185,1348 11.861,1349 0.169,1350 0.075,1351 11.267,1352 5.273,1353 10.366,1354 0.106,1355 0.038,1356 9.984,1357 3.712,1358 8.987,1359 0.068,1360 0.019,1361 8.412,1362 2.527,1363 0.293,1364 98.277,1365 0.205,1366 28.203,1367 0.578,1368 170,1369 683.359,1370 202.88,1371 583.285,1372 782.85,1373 550,1374 205,1375 557.43,1376 237.972,1377 543.773,1378 824.28,1379 512,1380 8.712}
{0 CHEMBL1910999,1 1.838,2 9.5,3 3.345,4 11.188,5 113.975,6 8.136,7 0.444,8 4.163,9 4.278,10 3.805,11 3.548,12 5.266,13 3.598,14 4.768,15 4.952,16 4.193,17 3.932,18 6.018,19 3.973,20 4.909,21 5.112,22 4.263,23 4.08,24 6.027,25 4.087,26 4.948,27 5.164,28 4.297,29 4.107,30 6.084,31 4.114,32 4.964,33 5.183,34 4.342,35 4.089,36 6.231,37 4.115,38 4.963,39 5.151,40 4.396,41 4.092,42 6.258,43 4.147,44 5.033,45 5.234,46 4.362,47 4.21,48 6.242,49 4.208,50 5.209,51 5.426,52 4.285,53 4.346,54 6.237,55 4.279,56 0.219,57 0.982,58 10.078,59 4.295,60 16.989,61 5.576,62 1.092,63 1.596,64 24.869,65 7.25,66 90.123,67 9.109,68 1.068,69 1.702,70 28.675,71 7.639,72 59.82,73 11.705,74 0.855,75 1.894,76 28.942,77 8.542,78 55.131,79 12.285,80 1.1,81 1.954,82 30.442,83 7.333,84 88.61,85 11.554,86 1.178,87 2.071,88 28.631,89 7.345,90 71.989,91 9.985,92 1.347,93 2.133,94 31.634,95 8.98,96 78.192,97 12.485,98 1.133,99 2.313,100 39.329,101 14.36,102 102.943,103 18.673,104 14,105 51,106 0.303,107 0.561,108 0.695,109 0.717,110 0.717,111 0.717,112 3.504,113 0.867,114 -4.3,115 -4.23,116 -4,119 36.4,124 1,125 8,128 1,142 3,144 1,146 1,150 3,152 1,161 1,172 2,174 10,175 2,183 1,186 3,187 4,198 9,199 5,211 4,212 2,223 5,224 5,236 6,237 3,249 3,250 3,262 2,263 2,275 1760,276 22.146,277 22.146,278 22.146,279 22.146,280 22.146,281 20.436,282 34.068,283 13.121,284 23.331,285 17.763,286 17.763,287 17.763,288 17.763,289 17.763,290 14.903,291 49.549,292 6.164,293 19.618,294 3.943,295 2.376,296 1.568,297 1.432,298 1.432,299 1.432,300 4.213,304 1,305 1,306 667,307 3,310 63.903,311 360.887,314 123.871,318 1.281,319 47.558,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.5,331 304,332 4.756,333 3.665,334 7.054,335 4.279,336 3.35,337 4.707,338 2.375,339 12.167,340 3.118,341 4.3,342 3.256,343 6.335,344 3.9,345 2.991,346 3.926,347 0.86,348 9.734,349 2.717,350 3.958,351 3.153,352 6.176,353 3.591,354 2.684,355 3.396,356 0.86,357 8.984,358 2.441,359 3.795,360 3.013,361 6.016,362 3.578,363 2.654,364 2.972,365 0.86,366 8.629,367 2.432,368 3.52,369 2.795,370 5.634,371 3.201,372 2.314,373 2.767,374 0.8,375 7.165,376 2.044,377 3.294,378 2.385,379 5.163,380 2.914,381 2,382 2.537,383 0.8,384 5.948,385 1.825,386 2.972,387 2.25,388 4.593,389 2.644,390 1.74,391 2.144,393 4.677,394 1.565,395 2.936,396 2.095,397 4.283,398 2.577,399 1.697,400 2.017,402 4.065,403 1.488,404 2.838,405 1.706,406 4.234,407 2.455,408 1.493,409 1.879,411 3.663,412 1.431,413 2.351,414 1.585,415 4.013,416 2.045,417 1.189,418 1.324,420 2.9,421 1.011,422 2.262,423 1.308,424 3.514,425 1.952,426 1,427 1.216,428 2.604,429 0.946,430 2.208,431 1.288,432 3.472,433 1.952,434 1,435 1.144,436 2.509,437 0.946,438 2.166,439 1.256,440 3.472,441 1.869,442 1,443 1.132,445 2.136,446 0.866,447 2,448 1.256,449 3.247,450 1.851,451 1,452 1,454 2.136,455 0.834,456 2,457 1.193,458 3.247,459 1.767,460 0.881,461 1,463 2.118,464 0.776,465 14.371,466 0.449,467 0.692,468 0.022,469 39.75,470 1.242,471 15.5,472 0.484,473 24.25,474 0.758,475 29.015,476 0.907,477 36.629,478 0.666,479 33.674,480 1.052,481 8.072,482 0.252,483 7.58,484 0.237,485 0.075,487 0.362,489 2,493 0.763,494 1.521,495 0.654,496 1.432,497 0.583,498 1.09,499 1.064,500 0.768,501 0.895,502 0.772,503 0.715,504 0.781,505 0.748,506 0.88,507 0.817,508 0.87,509 0.502,510 0.868,511 0.721,512 1.08,513 0.824,514 1.034,515 0.736,516 0.963,517 0.778,518 1.056,519 0.806,520 0.877,521 0.773,522 0.831,523 1.104,524 1.4,525 1.011,526 1.055,527 1.104,528 0.977,529 0.889,530 0.893,531 1.087,532 0.936,533 1.036,534 1.03,535 0.887,536 1.194,537 1.101,538 1.367,539 1.102,540 1.327,541 5,542 0.115,543 3.333,544 2.167,545 1.869,546 1.472,547 1.007,548 0.599,549 0.413,550 0.261,551 12559,552 38688,553 2.154,554 41.8,556 22,557 1,564 1.756,565 2.043,566 3.209,567 -0.619,569 1,573 101.088,574 1.838,575 3.405,576 4.213,577 4.349,578 4.349,579 4.349,580 2.604,581 4.188,582 4.972,583 3.363,584 1667.95,585 8.762,586 23413.3,588 1,591 317.975,592 1.317,593 4.943,594 0.139,595 0.005,596 0.065,597 0.039,598 0.033,599 0.025,600 0.017,601 0.01,602 0.008,603 0.007,604 0.35,605 0.17,606 0.88,607 0.726,608 163.143,609 -0.074,610 -0.426,611 0.08,612 -0.298,613 -0.049,614 -0.104,615 -0.033,616 0.24,617 0.026,618 0.187,619 0.116,620 0.125,621 0.047,622 0.016,623 0.079,624 0.094,625 0.078,626 0.087,627 0.002,628 -0.107,629 0.062,630 -0.077,631 -0.028,632 -0.008,633 0.061,634 -0.038,635 0.114,636 0.045,637 0.095,638 0.092,639 -0.069,640 -0.199,641 -0.098,642 -0.119,643 0.023,644 -0.105,645 0.054,646 0.272,647 -0.184,648 0.043,649 0.01,650 -0.108,651 -0.038,652 -0.134,653 -0.177,654 -0.275,655 -0.097,656 -0.273,657 4.164,658 6.048,659 0.844,660 28.375,661 1.03,662 1.155,663 3.068,664 9.415,665 0.639,666 3.611,667 3.951,668 4.29,669 4.625,670 4.927,671 5.081,672 5.303,673 5.476,674 5.606,675 5.714,676 6.012,677 0.633,678 447.5,679 3.611,680 5.165,681 6.043,682 6.944,683 7.847,684 8.76,685 9.673,686 10.593,687 11.512,688 12.436,689 12.7,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 55,733 16,734 1,735 36,737 59,738 20,739 10,740 3,741 3,745 1,746 5,747 6,752 1,761 10,762 10,778 1,779 2,781 23,782 11,784 12,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 1,846 2,848 32,854 8,856 3,858 1,859 2,869 2,870 5.5,874 2,875 1,877 15.667,878 10.269,879 7.056,880 3.284,881 3.288,882 1.404,883 0.993,884 6.153,885 11.428,886 3.807,887 4.404,888 5.06,889 5.731,890 6.334,891 6.78,892 7.268,893 7.728,894 8.049,895 8.401,896 1,897 55,898 12.023,900 5.308,901 7.922,902 22.39,904 18.409,905 2.422,906 77.5,909 1,910 270.735,911 91.776,912 75.29,914 33,915 29.92,917 91.776,918 303.735,919 105.21,920 10.883,921 26.792,922 36.543,923 91.47,924 56.455,925 19.613,926 258.964,928 270.735,929 167.066,930 62.92,933 270.735,934 40.92,935 22,936 8.115,937 38.861,938 52.948,939 67.142,941 300.656,942 108.29,943 91.776,946 278.85,947 44.349,948 47.46,950 130.062,951 270.735,952 138.21,953 91.776,955 0.577,956 0.349,957 0.202,958 0.119,959 26,960 11,961 0.068,962 4,963 1,964 1.074,965 4.135,966 320.297,967 0.074,968 27,969 134,974 21.407,975 9.198,976 4.169,977 0.762,978 136.311,979 5.103,980 17.98,984 0.888,985 1.29,987 500.721,988 44,999 56.672,1000 63.533,1001 0.318,1002 0.589,1003 0.729,1004 0.752,1005 0.752,1006 0.752,1007 5.069,1008 1.697,1009 6.028,1010 4.677,1011 4.635,1012 5.091,1013 2.774,1014 6.887,1015 4.448,1016 6.258,1017 1.493,1018 7.609,1019 4.065,1020 4.205,1021 4.945,1022 2.404,1023 7.879,1024 3.925,1025 7.571,1026 1.189,1027 9.296,1028 3.663,1029 6.26,1030 7.319,1031 3.756,1032 11.04,1033 5.908,1034 8.926,1035 1,1036 11.047,1037 2.9,1038 6.698,1039 8.083,1040 4.231,1041 12.899,1042 6.26,1043 10.323,1044 1,1045 12.839,1046 2.604,1047 8.202,1048 9.933,1049 5.276,1050 15.578,1051 7.695,1052 11.748,1053 1,1054 14.66,1055 2.509,1056 9.039,1057 11.115,1058 6.014,1059 17.793,1060 8.453,1061 13.196,1062 1,1063 16.5,1064 2.136,1065 10.329,1066 12.765,1067 6.949,1068 20.322,1069 9.674,1070 3.35,1071 0.881,1072 18.357,1073 2.136,1074 11.352,1075 14.142,1076 7.767,1077 22.69,1078 10.623,1079 2.991,1080 12.167,1081 20.225,1082 2.118,1083 12.561,1084 15.716,1085 8.66,1086 25.179,1087 11.765,1088 2.684,1089 9.734,1090 22.104,1091 4.707,1092 13.671,1093 17.182,1094 9.507,1095 27.615,1096 12.803,1097 2.654,1098 8.984,1099 23.991,1100 3.926,1101 14.856,1102 18.731,1103 10.383,1104 30.097,1105 13.921,1106 2.314,1107 8.629,1108 25.885,1109 3.396,1110 16.006,1111 20.237,1112 11.241,1113 32.563,1114 15.002,1115 2,1116 7.165,1117 27.785,1118 2.972,1119 17.188,1120 21.779,1121 12.11,1122 35.049,1123 16.116,1124 1.74,1125 5.948,1126 29.691,1127 2.767,1128 18.359,1129 23.305,1130 12.972,1131 37.53,1132 17.218,1133 11812,1134 20923,1135 24.561,1136 35.131,1137 54.734,1138 55.644,1139 55.94,1140 54.689,1141 54.641,1142 67.113,1143 13.11,1144 159.977,1145 49.454,1146 5.756,1147 5.665,1148 6.856,1149 5.383,1150 5.35,1151 7.707,1152 3.885,1153 19.648,1154 5.118,1155 12.769,1156 1.52,1157 1.546,1158 1.554,1159 1.519,1160 1.518,1161 1.864,1162 0.364,1163 4.444,1164 1.374,1165 4.145,1166 4.187,1167 4.13,1168 3.999,1169 8.362,1170 4.024,1171 3.887,1172 3.945,1173 3.838,1174 3.662,1175 7.999,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 5.13,1182 3.533,1183 3.598,1184 3.646,1185 3.521,1186 3.385,1187 4.945,1188 3.413,1189 3.46,1190 3.513,1191 3.407,1192 3.214,1193 4.616,1194 3.252,1195 3.25,1196 3.314,1197 3.099,1198 2.976,1199 4.607,1200 2.989,1201 3.111,1202 3.206,1203 2.969,1204 2.941,1205 4.518,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.22,1212 2.91,1213 0.132,1214 0.102,1215 0.196,1216 0.119,1217 0.093,1218 4.756,1219 0.131,1220 3.665,1221 0.066,1222 7.054,1223 0.338,1224 4.279,1225 0.087,1226 3.35,1227 4.707,1228 2.375,1229 12.167,1230 3.118,1231 1.92,1232 1.895,1233 1.994,1234 2.085,1235 1.207,1236 2.05,1237 1.786,1238 1.728,1239 1.939,1240 1.989,1241 1.187,1242 1.978,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.12,1248 1.926,1249 1.565,1250 1.512,1251 1.652,1252 1.826,1253 0.825,1254 1.783,1255 1.339,1256 1.285,1257 1.56,1258 1.625,1259 0.825,1260 1.572,1261 1.186,1262 1.111,1263 1.513,1264 1.507,1265 0.735,1266 1.523,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.569,1272 1.429,1273 1.153,1274 1.064,1275 1.424,1276 1.376,1277 0.443,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.168,1284 4.844,1285 8.805,1286 7.081,1287 10.493,1289 1.478,1291 28.096,1295 4.586,1297 16.203,1299 -2.831,1300 3.945,1305 34.802,1306 101.088,1307 187.272,1308 231.71,1309 239.22,1310 239.22,1311 239.22,1312 55.166,1313 8.14,1314 90.66,1315 90.66,1316 29,1317 12.943,1318 4.087,1319 3.17,1320 45.126,1321 112,1322 115,1323 0.193,1324 207.104,1325 357.09,1326 497.093,1327 36421,1328 3.6,1329 22.079,1330 0.69,1331 0.549,1332 20.501,1333 17.577,1334 15.652,1335 0.435,1336 0.289,1337 10.09,1338 14.477,1339 9.993,1340 8.107,1341 14.742,1342 10.408,1343 13.931,1344 0.273,1345 0.144,1346 13.001,1347 7.368,1348 12.175,1349 0.169,1350 0.076,1351 11.581,1352 5.477,1353 10.701,1354 0.106,1355 0.038,1356 10.319,1357 3.866,1358 9.256,1359 0.068,1360 0.019,1361 8.664,1362 2.633,1363 0.291,1364 102.043,1365 0.202,1366 28.971,1367 0.571,1368 174,1369 698.945,1370 207.654,1371 593.264,1372 799.55,1373 562,1374 210,1375 568.945,1376 243.968,1377 556.194,1378 841.95,1379 522,1380 7.407}
{0 CHEMBL1911002,1 1.943,2 10.235,3 4.167,4 17.361,5 113.984,6 8.791,7 0.421,8 4.179,9 4.287,10 3.869,11 3.544,12 5.337,13 3.619,14 4.798,15 4.97,16 4.29,17 3.929,18 6.284,19 3.994,20 4.916,21 5.116,22 4.304,23 4.078,24 6.076,25 4.1,26 4.962,27 5.172,28 4.375,29 4.103,30 6.184,31 4.139,32 4.993,33 5.2,34 4.462,35 4.082,36 6.415,37 4.152,38 4.992,39 5.169,40 4.51,41 4.085,42 6.418,43 4.183,44 5.052,45 5.245,46 4.438,47 4.206,48 6.318,49 4.234,50 5.243,51 5.446,52 4.493,53 4.342,54 6.723,55 4.311,56 0.391,57 1.097,58 8.295,59 4.337,60 39.191,61 5.03,62 1.657,63 1.748,64 23.828,65 7.327,66 164.912,67 8.274,68 1.299,69 1.748,70 27.038,71 7.647,72 81.948,73 11.136,74 1.159,75 2.061,76 27.062,77 8.607,78 91.399,79 11.442,80 1.479,81 2.214,82 29.124,83 7.417,84 125.952,85 10.323,86 1.571,87 2.34,88 26.094,89 7.441,90 101.271,91 8.563,92 1.61,93 2.3,94 29.022,95 9.094,96 124.833,97 11.126,98 2.255,99 2.922,100 38.183,101 14.446,102 303.189,103 17.892,104 22,105 54,106 0.32,107 0.577,108 0.703,109 0.725,110 0.725,111 0.725,112 3.562,113 0.843,114 -4.52,115 -4.44,116 -4.18,119 36.4,125 8,128 1,129 1,142 3,144 1,146 1,150 3,152 1,161 1,172 2,174 10,175 2,183 1,186 3,187 4,198 9,199 5,211 4,212 2,223 5,224 5,236 6,237 3,249 3,250 3,262 2,263 2,275 2100,276 23.137,277 23.137,278 23.137,279 23.137,280 23.137,281 21.428,282 34.797,283 13.779,284 24.52,285 18.836,286 18.836,287 18.836,288 18.836,289 18.836,290 16.009,291 50.015,292 6.594,293 21.121,294 3.838,295 2.279,296 1.518,297 1.382,298 1.382,299 1.382,300 4.269,305 1,306 758,307 3.464,310 69.172,311 388.082,314 134.2,318 1.439,319 64.201,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 80.5,331 348,332 4.757,333 3.671,334 7.055,335 4.281,336 3.352,337 4.708,338 2.621,339 12.172,340 3.118,341 4.301,342 3.498,343 6.338,344 3.901,345 2.993,346 3.926,347 2.375,348 9.747,349 2.718,350 3.972,351 3.252,352 6.187,353 3.601,354 2.69,355 3.403,356 0.86,357 9.06,358 2.449,359 3.795,360 3.085,361 6.016,362 3.591,363 2.684,364 2.972,365 0.86,366 8.629,367 2.432,368 3.522,369 3.013,370 5.637,371 3.203,372 2.318,373 2.77,374 0.8,375 7.17,376 2.045,377 3.36,378 2.705,379 5.226,380 3.017,381 2.175,382 2.571,383 0.8,384 6.244,385 1.862,386 3.053,387 2.364,388 4.685,389 2.764,390 1.902,391 2.158,392 0.302,393 4.962,394 1.614,395 2.939,396 2.25,397 4.487,398 2.577,399 1.697,400 2.067,402 4.436,403 1.488,404 2.915,405 2.019,406 4.283,407 2.547,408 1.657,409 1.978,411 4.065,412 1.433,413 2.838,414 1.692,415 4.124,416 2.454,417 1.492,418 1.879,420 3.597,421 1.424,422 2.34,423 1.567,424 4.013,425 2.037,426 1.179,427 1.312,428 2.872,429 1.004,430 2.236,431 1.306,432 3.513,433 1.952,434 1,435 1.207,436 2.599,437 0.946,438 2.166,439 1.288,440 3.472,441 1.952,442 1,443 1.132,445 2.509,446 0.946,447 2.155,448 1.256,449 3.457,450 1.869,451 1,452 1.029,454 2.136,455 0.866,456 2,457 1.256,458 3.247,459 1.85,460 1,461 1,463 2.136,464 0.834,465 14.943,466 0.439,467 0.836,468 0.025,469 41.25,470 1.213,471 15.5,472 0.456,473 25.75,474 0.757,475 31.375,476 0.923,477 39.657,478 0.721,479 37.453,480 1.102,481 8.487,482 0.25,483 8.021,484 0.236,485 0.076,487 0.381,489 2,490 2,493 0.714,494 1.356,495 0.592,496 1.426,497 0.575,498 1.077,499 0.844,500 0.683,501 0.875,502 0.762,503 0.608,504 0.815,505 0.625,506 0.765,507 0.762,508 0.864,509 0.396,510 0.88,511 0.667,512 0.997,513 0.757,514 1.032,515 0.613,516 0.951,517 0.807,518 1.034,519 0.773,520 0.881,521 0.794,522 0.806,523 1.056,524 1.305,525 0.968,526 1.057,527 1.033,528 0.958,529 0.865,530 0.878,531 1.064,532 0.935,533 0.928,534 1.035,535 0.614,536 0.921,537 0.963,538 1.35,539 0.648,540 1.36,541 6,542 0.206,543 3.333,544 2.292,545 2.029,546 1.528,547 1.199,548 0.787,549 0.413,550 0.289,551 14729,552 54374,553 2.127,554 38.2,556 19,557 1,558 1,564 1.771,565 2,566 3.304,567 -0.583,569 1,573 106.891,574 1.943,575 3.503,576 4.263,577 4.4,578 4.4,579 4.4,580 2.726,581 4.264,582 5.057,583 3.48,584 1952.46,585 8.934,586 28516.4,591 317.975,592 1.379,593 5.023,594 0.158,595 0.008,596 0.062,597 0.04,598 0.034,599 0.024,600 0.018,601 0.013,602 0.007,603 0.007,604 0.37,605 0.17,606 0.75,607 0.903,608 177.28,609 -0.086,610 -0.349,611 0.06,612 -0.295,613 -0.06,614 -0.108,615 0.094,616 0.278,617 -0.002,618 0.196,619 0.189,620 0.081,621 0.029,622 -0.008,623 0.086,624 0.091,625 0.06,626 0.102,627 -0.015,628 -0.143,629 0.092,630 -0.082,631 -0.014,632 0.021,633 0.018,634 -0.065,635 0.121,636 0.041,637 0.044,638 0.113,639 -0.107,640 -0.19,641 -0.111,642 -0.12,643 -0.046,644 -0.104,645 -0.03,646 0.158,647 -0.214,648 0.04,649 -0.074,650 -0.112,651 0.243,652 0.098,653 -0.041,654 -0.261,655 0.28,656 -0.298,657 4.469,658 6.059,659 0.794,660 32.837,661 1.049,662 1.167,663 3.287,664 10.806,665 0.636,666 3.664,667 4.007,668 4.317,669 4.663,670 4.97,671 5.13,672 5.361,673 5.565,674 5.677,675 5.79,676 6.377,677 0.647,678 483.48,679 3.664,680 5.22,681 6.089,682 6.991,683 7.888,684 8.802,685 9.712,686 10.632,687 11.55,688 12.474,689 12.7,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 55,733 16,734 1,735 38,737 59,738 20,739 10,740 3,741 3,745 1,746 5,747 6,752 1,761 10,762 10,779 4,781 21,782 13,784 14,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,846 4,848 34,854 8,856 3,858 2,859 2,869 4,870 5.5,874 2,875 1,877 17,878 9.888,879 7.389,880 3.268,881 3.319,882 1.401,883 0.993,884 6.794,885 11.602,886 3.85,887 4.44,888 5.073,889 5.75,890 6.358,891 6.81,892 7.305,893 7.784,894 8.1,895 8.465,896 0.857,897 57,898 12.949,900 5.883,901 8.23,902 23.256,904 19.106,905 2.73,906 92.833,910 247.193,911 91.065,912 75.29,914 33,915 59.84,917 91.065,918 280.193,919 135.13,921 26.792,922 36.543,923 103.241,924 86.376,925 19.613,926 223.651,927 10.173,928 247.193,929 166.355,930 92.84,933 247.193,934 70.84,935 22,936 8.115,937 49.033,938 42.065,939 67.142,941 307.034,942 108.29,943 91.065,946 265.48,947 44.349,948 36.576,950 159.982,951 247.193,952 168.13,953 91.065,955 0.58,956 0.334,957 0.196,958 0.118,959 27,960 12,961 0.068,962 4,963 1,964 1.074,965 4.269,966 346.018,967 0.074,968 27,969 144.974,974 23.184,975 9.963,976 4.826,977 -0.028,978 166.231,979 4.131,980 17.427,984 -0.491,985 1.063,987 506.388,988 46,999 57.698,1000 64.212,1001 0.336,1002 0.606,1003 0.737,1004 0.761,1005 0.761,1006 0.761,1007 5.118,1008 1.697,1009 6.08,1010 4.962,1011 4.691,1012 5.127,1013 3.25,1014 6.93,1015 4.485,1016 6.306,1017 1.657,1018 7.656,1019 4.436,1020 4.29,1021 4.987,1022 3.128,1023 7.906,1024 3.97,1025 7.615,1026 1.492,1027 9.337,1028 4.065,1029 6.308,1030 7.336,1031 4.585,1032 11.065,1033 5.93,1034 8.964,1035 1.179,1036 11.081,1037 3.597,1038 6.746,1039 8.095,1040 5.187,1041 12.912,1042 6.276,1043 10.355,1044 1,1045 12.867,1046 2.872,1047 8.239,1048 9.94,1049 6.289,1050 15.593,1051 7.707,1052 11.774,1053 1,1054 14.683,1055 2.599,1056 9.071,1057 11.12,1058 7.114,1059 17.803,1060 8.462,1061 13.217,1062 1,1063 16.519,1064 2.509,1065 10.356,1066 12.768,1067 8.104,1068 20.333,1069 9.681,1070 3.352,1071 1,1072 18.373,1073 2.136,1074 11.374,1075 14.144,1076 9.003,1077 22.699,1078 10.629,1079 2.993,1080 12.172,1081 20.239,1082 2.136,1083 12.582,1084 15.719,1085 9.959,1086 25.188,1087 11.77,1088 2.69,1089 9.747,1090 22.115,1091 4.708,1092 13.689,1093 17.184,1094 10.885,1095 27.623,1096 12.808,1097 2.684,1098 9.06,1099 24.001,1100 3.926,1101 14.873,1102 18.733,1103 11.831,1104 30.105,1105 13.926,1106 2.318,1107 8.629,1108 25.894,1109 3.403,1110 16.022,1111 20.239,1112 12.768,1113 32.571,1114 15.006,1115 2.175,1116 7.17,1117 27.793,1118 2.972,1119 17.203,1120 21.781,1121 13.713,1122 35.057,1123 16.121,1124 1.902,1125 6.244,1126 29.699,1127 2.77,1128 18.373,1129 23.307,1130 14.656,1131 37.538,1132 17.223,1133 13956,1134 27065,1135 25.66,1136 35.006,1137 57.964,1138 58.501,1139 59.023,1140 57.934,1141 57.774,1142 70.224,1143 17.234,1144 168.683,1145 51.693,1146 5.757,1147 5.671,1148 6.856,1149 5.384,1150 5.352,1151 7.708,1152 4.131,1153 19.673,1154 5.118,1155 15.519,1156 1.525,1157 1.539,1158 1.553,1159 1.525,1160 1.52,1161 1.848,1162 0.454,1163 4.439,1164 1.36,1165 4.145,1166 4.187,1167 4.131,1168 3.999,1169 8.367,1170 4.025,1171 3.887,1172 3.946,1173 3.839,1174 3.662,1175 8.36,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 7.999,1182 3.533,1183 3.603,1184 3.65,1185 3.538,1186 3.385,1187 7.999,1188 3.414,1189 3.466,1190 3.517,1191 3.415,1192 3.214,1193 5.125,1194 3.253,1195 3.345,1196 3.388,1197 3.311,1198 2.968,1199 4.927,1200 3.039,1201 3.111,1202 3.206,1203 2.991,1204 2.941,1205 4.616,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.599,1212 2.91,1213 0.125,1214 0.097,1215 0.186,1216 0.113,1217 0.088,1218 4.757,1219 0.124,1220 3.671,1221 0.069,1222 7.055,1223 0.32,1224 4.281,1225 0.082,1226 3.352,1227 4.708,1228 2.621,1229 12.172,1230 3.118,1231 1.919,1232 1.894,1233 1.991,1234 2.085,1235 1.207,1236 2.05,1237 1.786,1238 1.727,1239 1.938,1240 1.989,1241 1.187,1242 1.977,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.119,1248 1.926,1249 1.564,1250 1.511,1251 1.643,1252 1.826,1253 0.825,1254 1.781,1255 1.339,1256 1.284,1257 1.513,1258 1.625,1259 0.825,1260 1.57,1261 1.153,1262 1.064,1263 1.513,1264 1.523,1265 0.732,1266 1.431,1267 1.153,1268 1.064,1269 1.426,1270 1.376,1271 0.443,1272 1.429,1273 1.092,1274 1.057,1275 1.257,1276 1.376,1277 0.27,1278 1.429,1279 4.344,1281 5.68,1282 2.398,1283 7.216,1284 4.844,1285 8.845,1286 7.081,1287 10.527,1291 53.888,1295 3.957,1297 15.286,1299 -6.161,1300 3.76,1305 35.569,1306 106.891,1307 192.651,1308 234.465,1309 241.975,1310 241.975,1311 241.975,1312 70.736,1313 8.283,1314 90.66,1315 90.66,1316 29,1317 12.981,1318 4.087,1319 3.17,1320 49.4,1321 126,1322 135,1323 0.188,1324 209.5,1325 369.23,1326 502.94,1327 43645,1328 7.3,1329 23.656,1330 0.696,1331 0.527,1332 20.501,1333 17.911,1334 16.508,1335 0.434,1336 0.281,1337 10.307,1338 15.141,1339 10.3,1340 8.298,1341 14.742,1342 10.672,1343 15.153,1344 0.281,1345 0.14,1346 13.001,1347 7.543,1348 12.425,1349 0.168,1350 0.074,1351 11.581,1352 5.473,1353 11.092,1354 0.106,1355 0.037,1356 10.319,1357 3.892,1358 9.665,1359 0.068,1360 0.019,1361 8.664,1362 2.657,1363 0.284,1364 108.612,1365 0.197,1366 30.544,1367 0.551,1368 184,1369 881.167,1370 228.096,1371 709.108,1372 931.21,1373 668,1374 220,1375 638.763,1376 259.289,1377 615.108,1378 939.11,1379 576,1380 6.375}
{0 CHEMBL1911114,1 1.876,2 10.152,3 3.077,4 9.47,5 115.669,6 8.277,7 0.432,8 4.188,9 4.298,10 3.835,11 3.555,12 5.33,13 3.615,14 4.783,15 4.96,16 4.231,17 3.943,18 6.058,19 3.995,20 4.935,21 5.127,22 4.324,23 4.096,24 6.135,25 4.118,26 4.987,27 5.194,28 4.341,29 4.126,30 6.183,31 4.143,32 4.999,33 5.213,34 4.369,35 4.096,36 6.296,37 4.128,38 4.981,39 5.172,40 4.427,41 4.085,42 6.368,43 4.153,44 5.044,45 5.234,46 4.41,47 4.209,48 6.329,49 4.219,50 5.181,51 5.379,52 4.356,53 4.357,54 6.249,55 4.302,56 0.293,57 0.985,58 10.066,59 4.309,60 24.484,61 5.471,62 1.16,63 1.601,64 24.675,65 7.27,66 95.443,67 8.996,68 1.22,69 1.713,70 28.738,71 7.685,72 73.496,73 11.601,74 1.024,75 1.903,76 29.643,77 8.755,78 70.559,79 12.334,80 1.261,81 1.945,82 31.461,83 7.591,84 104.835,85 11.787,86 1.282,87 2.058,88 29.109,89 7.195,90 119.94,91 9.91,92 1.687,93 2.05,94 31.486,95 8.601,96 99.928,97 11.832,98 1.001,99 2.323,100 35.123,101 14.379,102 84.035,103 18.766,104 21,105 53,106 0.308,107 0.581,108 0.709,109 0.723,110 0.723,111 0.723,112 3.533,113 0.855,114 -3.57,115 -3.55,116 -3.38,119 35.7,124 1,125 8,128 1,142 2,144 2,146 1,150 3,152 1,161 1,172 1,174 10,175 2,186 2,187 3,190 2,192 1,198 9,199 3,202 1,204 1,211 5,212 2,223 3,224 3,227 2,236 8,237 3,253 3,262 5,263 2,275 1919,276 22.646,277 22.646,278 22.646,279 22.646,280 22.646,281 20.883,282 34.831,283 13.277,284 23.858,285 18.221,286 18.221,287 18.221,288 18.221,289 18.221,290 15.286,291 49.69,292 6.226,293 20.141,294 3.931,295 2.271,296 1.491,297 1.406,298 1.406,299 1.406,300 4.24,304 1,305 1,306 733,307 3.082,310 67.5,311 376.123,314 128.962,318 1.387,319 55.413,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 76.5,331 335,332 4.774,333 3.669,334 7.067,335 4.297,336 3.365,337 4.733,338 2.375,339 12.198,340 3.141,341 4.323,342 3.275,343 6.419,344 3.917,345 3.006,346 3.954,347 0.86,348 9.856,349 2.736,350 4.078,351 3.226,352 6.262,353 3.703,354 2.782,355 3.56,356 0.86,357 9.354,358 2.548,359 3.795,360 3.013,361 6.016,362 3.591,363 2.684,364 2.972,365 0.86,366 8.629,367 2.432,368 3.519,369 2.893,370 5.668,371 3.201,372 2.315,373 2.772,374 0.8,375 7.184,376 2.044,377 3.461,378 2.441,379 5.494,380 3.064,381 2.142,382 2.75,383 0.8,384 6.862,385 1.966,386 3.158,387 2.261,388 4.855,389 2.775,390 1.864,391 2.383,393 5.162,394 1.698,395 2.945,396 2.25,397 4.522,398 2.577,399 1.697,400 2.013,402 4.443,403 1.518,404 2.838,405 1.894,406 4.283,407 2.573,408 1.64,409 1.879,411 4.065,412 1.488,413 2.389,414 1.668,415 4.036,416 2.053,417 1.203,418 1.369,420 2.93,421 1.015,422 2.243,423 1.51,424 3.715,425 1.952,426 1.076,427 1.22,428 2.659,429 0.946,430 2.166,431 1.288,432 3.508,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.161,439 1.256,440 3.472,441 1.912,442 1,443 1.031,445 2.136,446 0.887,447 2,448 1.256,449 3.247,450 1.869,451 1,452 1,454 2.136,455 0.866,456 2,457 1.155,458 3.247,459 1.645,460 0.741,461 1,463 2.094,464 0.666,465 14.705,466 0.446,467 0.781,468 0.024,469 41,470 1.242,471 16,472 0.485,473 25,474 0.758,475 30.239,476 0.916,477 38.095,478 0.68,479 35.999,480 1.091,481 8.328,482 0.252,483 7.735,484 0.234,485 0.096,487 0.388,489 2,493 0.813,494 1.52,495 0.662,496 1.415,497 0.661,498 1.071,499 1.036,500 0.784,501 0.867,502 0.785,503 0.697,504 0.771,505 0.732,506 0.899,507 0.799,508 0.895,509 0.519,510 0.875,511 0.755,512 1.076,513 0.847,514 1.054,515 0.78,516 0.987,517 0.792,518 1.065,519 0.815,520 0.903,521 0.858,522 0.856,523 1.06,524 1.4,525 0.943,526 1.012,527 0.998,528 0.91,529 0.816,530 0.779,531 1.1,532 0.844,533 0.926,534 1.003,535 0.666,536 1.309,537 0.972,538 1.561,539 0.737,540 1.434,541 5.5,542 0.194,543 3.778,544 2.479,545 2.06,546 1.552,547 1.145,548 0.71,549 0.47,550 0.351,551 13602,552 43937,553 2.131,554 41.1,556 21,557 1,559 1,564 1.763,565 2,566 3.276,567 -0.202,569 1,573 105.08,574 1.876,575 3.536,576 4.316,577 4.401,578 4.401,579 4.401,580 2.71,581 4.257,582 5.015,583 3.435,584 1813.49,585 8.847,586 25859.8,591 325.212,592 1.393,593 4.979,594 0.149,595 0.008,596 0.071,597 0.043,598 0.036,599 0.026,600 0.018,601 0.012,602 0.008,603 0.009,604 0.38,605 0.33,606 0.63,607 0.767,608 170.163,609 -0.107,610 -0.417,611 0.062,612 -0.269,613 -0.075,614 -0.087,615 -0.052,616 0.237,617 0.036,618 0.185,619 0.092,620 0.142,621 0.067,622 0.01,623 0.085,624 0.081,625 0.102,626 0.081,627 -0.012,628 -0.102,629 0.035,630 -0.09,631 -0.036,632 -0.03,633 0.05,634 -0.059,635 0.108,636 0.029,637 0.039,638 0.077,639 -0.077,640 -0.207,641 -0.032,642 -0.08,643 0.111,644 -0.031,645 0.145,646 0.407,647 -0.205,648 0.125,649 0.055,650 -0.102,651 0.05,652 -0.286,653 -0.101,654 -0.425,655 0.029,656 -0.348,657 4.266,658 6.055,659 0.818,660 30.632,661 1.036,662 1.156,663 2.345,664 5.498,665 0.635,666 3.638,667 3.989,668 4.331,669 4.654,670 4.956,671 5.13,672 5.361,673 5.549,674 5.666,675 5.765,676 6.201,677 0.634,678 463.5,679 3.638,680 5.198,681 6.08,682 6.984,683 7.889,684 8.804,685 9.72,686 10.642,687 11.564,688 12.49,689 12.5,695 2,697 1,699 4,702 1,703 2,704 2,705 4,709 6,710 1,711 16,726 2,728 1,729 1,731 56,733 16,734 1,735 37,737 60,738 20,739 10,740 4,741 2,745 1,746 5,747 6,752 1,761 10,762 10,778 1,779 2,781 23,782 12,783 1,784 13,787 1,790 7,794 0.8,795 4,811 1,812 4,815 1,839 2,840 4,844 1,846 2,848 33,853 1,854 8,856 3,858 1,859 2,869 2,870 7.1,872 1,874 2,875 1,877 16.5,878 10.386,879 7.25,880 3.286,881 3.276,882 1.399,883 0.971,884 6.362,885 11.491,886 3.829,887 4.44,888 5.098,889 5.761,890 6.372,891 6.845,892 7.343,893 7.811,894 8.127,895 8.471,896 0.857,897 58,898 12.432,900 5.563,901 8.02,902 22.866,904 18.825,905 2.52,906 83.167,909 1,910 258.964,911 82.3,912 75.29,914 75.683,915 29.92,917 82.3,918 334.647,919 105.21,920 10.883,921 26.792,922 27.067,923 134.153,924 56.455,925 19.613,926 247.193,928 258.964,929 157.589,930 105.603,933 258.964,934 83.603,935 22,936 8.115,937 38.861,938 43.472,939 67.142,941 288.884,942 150.973,943 82.3,946 267.079,947 44.349,948 37.983,950 172.745,951 258.964,952 180.893,953 82.3,955 0.582,956 0.353,957 0.2,958 0.116,959 27,960 12,961 0.067,962 4,963 1,964 1.074,965 4.185,966 334.402,967 0.074,968 27,969 140.465,974 22.319,975 9.407,976 4.251,977 0.21,978 178.994,979 3.025,980 17.668,984 -0.053,985 1.161,986 42.683,987 522.157,988 45,999 58,1000 64.742,1001 0.323,1002 0.609,1003 0.743,1004 0.758,1005 0.758,1006 0.758,1007 5.1,1008 1.697,1009 6.075,1010 5.162,1011 4.673,1012 5.127,1013 2.774,1014 6.942,1015 4.485,1016 6.299,1017 1.64,1018 7.666,1019 4.443,1020 4.29,1021 5.037,1022 2.404,1023 7.949,1024 4.015,1025 7.621,1026 1.203,1027 9.361,1028 4.065,1029 6.312,1030 7.371,1031 3.756,1032 11.106,1033 5.962,1034 8.984,1035 1.076,1036 11.118,1037 2.93,1038 6.781,1039 8.168,1040 4.231,1041 12.961,1042 6.35,1043 10.386,1044 1,1045 12.914,1046 2.659,1047 8.265,1048 9.995,1049 5.276,1050 15.643,1051 7.765,1052 11.816,1053 1,1054 14.737,1055 2.509,1056 9.119,1057 11.193,1058 6.014,1059 17.85,1060 8.544,1061 13.268,1062 1,1063 16.58,1064 2.136,1065 10.4,1066 12.834,1067 6.949,1068 20.383,1069 9.757,1070 3.365,1071 0.741,1072 18.437,1073 2.136,1074 11.431,1075 14.218,1076 7.767,1077 22.745,1078 10.719,1079 3.006,1080 12.198,1081 20.306,1082 2.094,1083 12.638,1084 15.79,1085 8.66,1086 25.235,1087 11.86,1088 2.782,1089 9.856,1090 22.185,1091 4.733,1092 13.752,1093 17.261,1094 9.507,1095 27.667,1096 12.906,1097 2.684,1098 9.354,1099 24.072,1100 3.954,1101 14.937,1102 18.811,1103 10.383,1104 30.15,1105 14.027,1106 2.315,1107 8.629,1108 25.966,1109 3.56,1110 16.09,1111 20.322,1112 11.241,1113 32.615,1114 15.114,1115 2.142,1116 7.184,1117 27.866,1118 2.972,1119 17.273,1120 21.866,1121 12.11,1122 35.101,1123 16.232,1124 1.864,1125 6.862,1126 29.772,1127 2.772,1128 18.446,1129 23.396,1130 12.972,1131 37.582,1132 17.341,1133 12848,1134 23289,1135 24.967,1136 35.586,1137 56.394,1138 57.338,1139 58.126,1140 56.366,1141 56.313,1142 68.995,1143 13.11,1144 166.725,1145 50.883,1146 5.774,1147 5.669,1148 6.869,1149 5.4,1150 5.365,1151 7.733,1152 3.885,1153 19.811,1154 5.141,1155 15.036,1156 1.524,1157 1.55,1158 1.571,1159 1.523,1160 1.522,1161 1.865,1162 0.354,1163 4.506,1164 1.375,1165 4.146,1166 4.186,1167 4.134,1168 3.997,1169 8.362,1170 4.025,1171 3.888,1172 3.945,1173 3.841,1174 3.662,1175 7.999,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 6.47,1182 3.533,1183 3.609,1184 3.651,1185 3.544,1186 3.389,1187 5.108,1188 3.422,1189 3.474,1190 3.523,1191 3.417,1192 3.219,1193 4.875,1194 3.26,1195 3.229,1196 3.296,1197 3.117,1198 2.941,1199 4.625,1200 2.953,1201 3.111,1202 3.206,1203 2.894,1204 2.941,1205 4.616,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.936,1211 4.574,1212 2.91,1213 0.129,1214 0.099,1215 0.191,1216 0.116,1217 0.091,1218 4.774,1219 0.128,1220 3.669,1221 0.064,1222 7.067,1223 0.33,1224 4.297,1225 0.085,1226 3.365,1227 4.733,1228 2.375,1229 12.198,1230 3.141,1231 1.913,1232 1.892,1233 1.974,1234 2.085,1235 1.207,1236 2.048,1237 1.784,1238 1.727,1239 1.933,1240 1.989,1241 1.187,1242 1.973,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.11,1248 1.926,1249 1.563,1250 1.511,1251 1.646,1252 1.826,1253 0.825,1254 1.78,1255 1.338,1256 1.284,1257 1.558,1258 1.626,1259 0.825,1260 1.571,1261 1.2,1262 1.132,1263 1.513,1264 1.516,1265 0.727,1266 1.528,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.571,1272 1.429,1273 1.153,1274 1.064,1275 1.426,1276 1.376,1277 0.443,1278 1.429,1279 4.317,1281 5.659,1282 2.398,1283 7.21,1284 4.844,1285 8.854,1286 7.081,1287 10.547,1289 1.376,1291 28.109,1294 10.49,1295 4.31,1297 15.94,1299 -2.932,1300 3.862,1305 35.517,1306 105.08,1307 198.018,1308 241.702,1309 246.457,1310 246.457,1311 246.457,1312 65.452,1313 8.215,1314 110.89,1315 110.89,1316 29,1317 12.996,1318 4.087,1319 3.17,1320 47.265,1321 119,1322 136,1323 0.19,1324 211.1,1325 365.88,1326 506.844,1327 39556,1328 3.6,1329 22.949,1330 0.695,1331 0.544,1332 21.372,1333 17.947,1334 16.063,1335 0.434,1336 0.285,1337 10.215,1338 14.825,1339 10.127,1340 8.205,1341 15.152,1342 10.548,1343 14.437,1344 0.272,1345 0.142,1346 13.506,1347 7.525,1348 12.747,1349 0.17,1350 0.075,1351 12.153,1352 5.592,1353 11.021,1354 0.106,1355 0.038,1356 10.639,1357 3.903,1358 9.348,1359 0.066,1360 0.019,1361 8.766,1362 2.629,1363 0.288,1364 105.085,1365 0.2,1366 29.757,1367 0.561,1368 180,1369 739.094,1370 215.758,1371 629.523,1372 843.84,1373 594,1374 218,1375 598.975,1376 254.404,1377 585.325,1378 885.71,1379 549,1380 6.329}
{0 CHEMBL1911117,1 1.846,2 9.545,3 2.598,4 6.751,5 118.675,6 8.114,7 0.432,8 4.2,9 4.321,10 3.833,11 3.569,12 5.323,13 3.622,14 4.795,15 4.98,16 4.228,17 3.959,18 6.053,19 4.003,20 4.942,21 5.143,22 4.3,23 4.117,24 6.078,25 4.125,26 5.004,27 5.225,28 4.352,29 4.149,30 6.149,31 4.155,32 5.015,33 5.231,34 4.407,35 4.129,36 6.299,37 4.165,38 5.025,39 5.213,40 4.451,41 4.15,42 6.333,43 4.202,44 5.113,45 5.325,46 4.439,47 4.258,48 6.386,49 4.259,50 5.271,51 5.492,52 4.348,53 4.381,54 6.348,55 4.32,56 0.249,57 1.009,58 10.691,59 4.202,60 21.655,61 5.669,62 1.115,63 1.628,64 25.602,65 7.293,66 92.455,67 9.445,68 1.096,69 1.749,70 29.319,71 7.629,72 63.926,73 11.993,74 0.925,75 1.947,76 31.033,77 8.98,78 63.131,79 13.316,80 1.198,81 2.017,82 32.104,83 7.259,84 94.85,85 11.786,86 1.247,87 2.16,88 30.16,89 7.567,90 82.407,91 10.641,92 1.491,93 2.26,94 35.074,95 9.147,96 105.236,97 13.635,98 1.343,99 2.432,100 42.871,101 15.113,102 131.408,103 19.512,104 21,105 53,106 0.302,107 0.59,108 0.709,109 0.723,110 0.723,111 0.723,112 3.533,113 0.86,114 -3.57,115 -3.55,116 -3.38,119 35.1,124 1,125 8,128 1,142 2,144 2,146 1,150 3,152 1,161 1,163 1,164 1,165 1,174 10,175 2,180 2,183 1,185 2,186 3,187 2,198 9,199 4,201 2,202 2,211 4,214 1,215 1,223 5,224 5,226 2,227 2,236 6,249 3,250 3,252 3,253 3,262 2,263 2,275 1905,276 22.593,277 22.593,278 22.593,279 22.593,280 22.593,281 20.859,282 37.23,283 13.31,284 23.798,285 18.263,286 18.263,287 18.263,288 18.263,289 18.263,290 15.322,291 53.754,292 6.287,293 20.152,294 3.987,295 2.231,296 1.5,297 1.417,298 1.417,299 1.417,300 4.24,304 1,305 1,306 688,307 3.082,310 66.761,311 374.054,314 128.548,318 1.284,319 51.787,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 76,331 315,332 4.769,333 3.667,334 7.06,335 4.292,336 3.361,337 4.727,338 2.375,339 12.198,340 3.137,341 4.308,342 3.259,343 6.341,344 3.906,345 2.996,346 3.936,347 0.86,348 9.756,349 2.725,350 4.001,351 3.178,352 6.192,353 3.628,354 2.701,355 3.457,356 0.86,357 9.072,358 2.492,359 3.795,360 3.013,361 6.016,362 3.591,363 2.684,364 2.972,365 0.86,366 8.629,367 2.432,368 3.573,369 2.804,370 5.638,371 3.214,372 2.32,373 2.934,374 0.8,375 7.192,376 2.086,377 3.411,378 2.385,379 5.179,380 3.046,381 2.098,382 2.624,383 0.8,384 6.025,385 1.964,386 3.288,387 2.288,388 5.007,389 2.909,390 1.996,391 2.533,393 5.863,394 1.818,395 2.962,396 2.25,397 4.592,398 2.644,399 1.74,400 2.023,402 4.685,403 1.565,404 2.838,405 2.08,406 4.283,407 2.577,408 1.697,409 1.879,411 4.065,412 1.488,413 2.382,414 1.631,415 4.134,416 2.046,417 1.189,418 1.348,420 2.945,421 1.014,422 2.346,423 1.5,424 3.873,425 1.952,426 1.079,427 1.32,428 2.761,429 0.946,430 2.217,431 1.288,432 3.509,433 1.952,434 1,435 1.181,436 2.588,437 0.946,438 2.166,439 1.256,440 3.472,441 1.924,442 1,443 1.132,445 2.509,446 0.898,447 2,448 1.256,449 3.247,450 1.869,451 1,452 1,454 2.136,455 0.866,456 2,457 1.22,458 3.247,459 1.817,460 0.942,461 1,463 2.136,464 0.817,465 14.771,466 0.448,467 0.798,468 0.024,469 41,470 1.242,471 16,472 0.485,473 25,474 0.758,475 30.515,476 0.925,477 38.029,478 0.667,479 35.931,480 1.089,481 8.295,482 0.251,483 7.751,484 0.235,485 0.1,487 0.386,489 2,493 0.802,494 1.52,495 0.676,496 1.403,497 0.649,498 1.067,499 1.06,500 0.802,501 0.869,502 0.783,503 0.7,504 0.773,505 0.767,506 0.924,507 0.846,508 0.918,509 0.544,510 0.911,511 0.66,512 1.077,513 0.772,514 1.052,515 0.693,516 0.959,517 0.84,518 1.07,519 0.816,520 0.862,521 0.775,522 0.813,523 1.089,524 1.404,525 1.053,526 1.117,527 1.112,528 1.048,529 0.815,530 0.855,531 1.02,532 0.912,533 0.894,534 0.992,535 0.992,536 1.239,537 1.125,538 1.368,539 1.297,540 1.32,541 6,542 0.149,543 3.333,544 2.354,545 2.14,546 1.688,547 1.089,548 0.622,549 0.532,550 0.341,551 13414,552 41787,553 2.131,554 42.1,556 21,557 1,559 2,564 1.764,565 2,566 3.22,567 0.342,569 1,573 105.242,574 1.846,575 3.601,576 4.333,577 4.416,578 4.416,579 4.416,580 2.596,581 4.257,582 5.017,583 3.375,584 1782.05,585 8.854,586 25527.2,591 332.475,592 1.393,593 4.979,594 0.162,595 0.006,596 0.063,597 0.041,598 0.036,599 0.027,600 0.017,601 0.01,602 0.01,603 0.008,604 0.381,605 0.33,606 0.63,607 0.767,608 169.741,609 -0.102,610 -0.399,611 0.066,612 -0.258,613 -0.08,614 -0.075,615 -0.034,616 0.219,617 0.049,618 0.197,619 0.123,620 0.148,621 0.027,622 -0.001,623 0.038,624 0.067,625 0.048,626 0.05,627 0.057,628 -0.107,629 0.118,630 -0.076,631 0.003,632 0.015,633 0.031,634 -0.048,635 0.106,636 0.064,637 0.089,638 0.104,639 -0.074,640 -0.196,641 -0.151,642 -0.169,643 -0.009,644 -0.172,645 0.111,646 0.281,647 -0.105,648 0.06,649 0.122,650 -0.062,651 -0.048,652 -0.096,653 -0.179,654 -0.256,655 -0.127,656 -0.264,657 4.209,658 6.118,659 0.818,660 29.614,661 1.031,662 1.158,663 2.345,664 5.498,665 0.634,666 3.638,667 3.989,668 4.317,669 4.663,670 4.977,671 5.142,672 5.361,673 5.541,674 5.666,675 5.768,676 6.087,677 0.628,678 462.52,679 3.638,680 5.198,681 6.075,682 6.982,683 7.885,684 8.803,685 9.717,686 10.641,687 11.562,688 12.49,689 14,693 1,695 2,697 1,699 4,702 1,703 2,704 2,705 4,709 6,710 1,711 16,722 1,726 2,729 1,731 57,733 16,734 1,735 37,737 61,738 20,739 10,740 4,741 2,745 1,746 5,747 6,752 1,761 10,762 10,778 1,779 2,781 24,782 12,783 2,784 13,787 1,790 8,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 1,846 2,848 33,849 1,854 8,856 3,858 1,859 2,869 2,870 5.3,874 2,875 1,877 16.5,878 10.519,879 7.222,880 3.312,881 3.288,882 1.4,883 0.997,884 6.362,885 11.503,886 3.829,887 4.44,888 5.088,889 5.77,890 6.387,891 6.852,892 7.335,893 7.803,894 8.128,895 8.471,896 1,897 57,898 12.397,900 5.498,901 7.96,902 22.957,904 18.892,905 2.46,906 81.167,909 1,910 258.964,911 85.056,912 108.187,914 33,915 29.92,917 85.056,918 291.964,919 138.107,920 10.883,921 26.792,922 59.964,923 91.47,924 59.212,925 19.613,926 247.193,928 258.964,929 193.243,930 62.92,933 258.964,934 40.92,935 22,936 8.115,937 38.861,938 79.126,939 67.142,941 288.884,942 141.187,943 85.056,946 267.079,947 47.106,948 37.983,950 162.959,951 258.964,952 171.107,953 85.056,955 0.581,956 0.347,957 0.202,958 0.122,959 27,960 12,961 0.066,962 4,963 1,964 1.074,965 4.169,966 335.58,967 0.074,968 27,969 140.465,974 22.319,975 9.407,976 4.371,977 0.581,978 169.208,979 3.101,980 17.936,984 0.962,985 1.231,986 32.897,987 515.127,988 45,999 58.774,1000 66.031,1001 0.317,1002 0.617,1003 0.743,1004 0.757,1005 0.757,1006 0.757,1007 5.1,1008 1.74,1009 6.071,1010 5.863,1011 4.673,1012 5.127,1013 2.774,1014 6.932,1015 4.49,1016 6.299,1017 1.697,1018 7.655,1019 4.685,1020 4.29,1021 5.037,1022 2.404,1023 7.919,1024 4.026,1025 7.619,1026 1.189,1027 9.342,1028 4.065,1029 6.304,1030 7.366,1031 3.756,1032 11.079,1033 5.963,1034 8.978,1035 1.079,1036 11.09,1037 2.945,1038 6.758,1039 8.148,1040 4.231,1041 12.923,1042 6.339,1043 10.376,1044 1,1045 12.879,1046 2.761,1047 8.245,1048 9.98,1049 5.276,1050 15.607,1051 7.754,1052 11.801,1053 1,1054 14.695,1055 2.588,1056 9.086,1057 11.168,1058 6.014,1059 17.815,1060 8.522,1061 13.248,1062 1,1063 16.532,1064 2.509,1065 10.369,1066 12.811,1067 6.949,1068 20.349,1069 9.736,1070 3.361,1071 0.942,1072 18.385,1073 2.136,1074 11.394,1075 14.191,1076 7.767,1077 22.716,1078 10.691,1079 2.996,1080 12.198,1081 20.25,1082 2.136,1083 12.603,1084 15.764,1085 8.66,1086 25.208,1087 11.832,1088 2.701,1089 9.756,1090 22.127,1091 4.727,1092 13.714,1093 17.234,1094 9.507,1095 27.645,1096 12.876,1097 2.684,1098 9.072,1099 24.012,1100 3.936,1101 14.9,1102 18.784,1103 10.383,1104 30.129,1105 13.996,1106 2.32,1107 8.629,1108 25.905,1109 3.457,1110 16.052,1111 20.294,1112 11.241,1113 32.598,1114 15.082,1115 2.098,1116 7.192,1117 27.805,1118 2.972,1119 17.236,1120 21.839,1121 12.11,1122 35.086,1123 16.201,1124 1.996,1125 6.025,1126 29.71,1127 2.934,1128 18.409,1129 23.369,1130 12.972,1131 37.569,1132 17.309,1133 12673,1134 22559,1135 24.967,1136 36.137,1137 56.332,1138 57.474,1139 57.888,1140 56.304,1141 56.298,1142 68.955,1143 13.11,1144 166.283,1145 50.99,1146 5.769,1147 5.667,1148 6.862,1149 5.396,1150 5.361,1151 7.727,1152 3.885,1153 19.693,1154 5.137,1155 14.997,1156 1.522,1157 1.553,1158 1.565,1159 1.522,1160 1.522,1161 1.864,1162 0.354,1163 4.494,1164 1.378,1165 4.149,1166 4.191,1167 4.136,1168 4.002,1169 8.362,1170 4.029,1171 3.888,1172 3.947,1173 3.841,1174 3.662,1175 7.999,1176 3.699,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 5.186,1182 3.533,1183 3.61,1184 3.662,1185 3.54,1186 3.394,1187 5.05,1188 3.424,1189 3.472,1190 3.529,1191 3.416,1192 3.22,1193 4.837,1194 3.261,1195 3.27,1196 3.335,1197 3.116,1198 2.987,1199 4.616,1200 3.005,1201 3.111,1202 3.206,1203 3.049,1204 2.941,1205 4.605,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.518,1212 2.91,1213 0.129,1214 0.099,1215 0.191,1216 0.116,1217 0.091,1218 4.769,1219 0.128,1220 3.667,1221 0.064,1222 7.06,1223 0.33,1224 4.292,1225 0.085,1226 3.361,1227 4.727,1228 2.375,1229 12.198,1230 3.137,1231 1.923,1232 1.898,1233 1.984,1234 2.088,1235 1.207,1236 2.052,1237 1.786,1238 1.728,1239 1.938,1240 1.998,1241 1.187,1242 1.983,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.121,1248 1.926,1249 1.565,1250 1.512,1251 1.652,1252 1.827,1253 0.825,1254 1.784,1255 1.341,1256 1.286,1257 1.561,1258 1.628,1259 0.825,1260 1.575,1261 1.191,1262 1.116,1263 1.513,1264 1.521,1265 0.734,1266 1.529,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.568,1272 1.429,1273 1.153,1274 1.064,1275 1.425,1276 1.376,1277 0.442,1278 1.429,1279 4.317,1281 5.659,1282 2.398,1283 7.206,1284 4.844,1285 8.845,1286 7.081,1287 10.537,1289 1.436,1291 28.235,1293 6.02,1295 4.433,1297 16.202,1299 -2.876,1300 3.906,1305 35.823,1306 105.242,1307 205.281,1308 246.965,1309 251.72,1310 251.72,1311 251.72,1312 61.101,1313 8.215,1314 116.68,1315 116.68,1316 29,1317 12.995,1318 4.087,1319 3.17,1320 47.208,1321 117,1322 120,1323 0.193,1324 213.898,1325 368.09,1326 513.671,1327 39552,1328 3.5,1329 22.949,1330 0.695,1331 0.548,1332 21.372,1333 18.077,1334 16.046,1335 0.434,1336 0.287,1337 10.279,1338 14.833,1339 10.176,1340 8.261,1341 15.135,1342 10.607,1343 14.577,1344 0.275,1345 0.144,1346 13.646,1347 7.631,1348 12.443,1349 0.168,1350 0.075,1351 11.849,1352 5.576,1353 11.011,1354 0.105,1355 0.038,1356 10.629,1357 3.95,1358 9.649,1359 0.067,1360 0.019,1361 9.05,1362 2.723,1363 0.291,1364 104.695,1365 0.2,1366 29.667,1367 0.573,1368 180,1369 716.257,1370 214.681,1371 611.995,1372 823.66,1373 578,1374 217,1375 587.79,1376 251.801,1377 576.38,1378 870.26,1379 540,1380 8.319}
{0 CHEMBL1914475,1 1.919,2 9.286,3 0.904,4 0.818,5 78.084,6 9.753,7 0.435,8 3.592,9 3.685,10 3.424,11 3.17,12 4.877,13 3.172,14 4.061,15 4.182,16 3.869,17 3.533,18 5.45,19 3.525,20 4.202,21 4.344,22 3.681,23 3.522,24 5.555,25 3.5,26 4.118,27 4.301,28 3.558,29 3.438,30 5.516,31 3.386,32 4.024,33 4.184,34 3.508,35 3.354,36 5.305,37 3.306,38 4.023,39 4.21,40 3.432,41 3.286,42 5.323,43 3.233,44 3.863,45 4.008,46 3.327,47 3.106,48 5.291,49 3.078,50 3.693,51 3.896,52 3.013,53 2.765,54 5.084,55 2.749,56 0.137,57 0.513,58 3.52,59 2.512,60 11.755,61 2.247,62 0.335,63 0.804,64 8.509,65 4.242,66 24.422,67 4.189,68 0.458,69 0.831,70 12.616,71 5.155,72 58.77,73 4.231,74 0.43,75 0.752,76 10.93,77 4.801,78 59.689,79 5.365,80 0.338,81 0.712,82 11.429,83 4.514,84 33.953,85 4.434,86 0.385,87 0.678,88 11.587,89 4.515,90 35.872,91 4.595,92 0.367,93 0.554,94 9.548,95 3.764,96 45.742,97 3.303,98 0.321,99 0.447,100 8.941,101 3.098,102 44.09,103 3.503,104 19,105 33,106 0.356,107 0.745,108 0.854,109 0.89,110 0.89,111 0.89,112 3.103,113 0.892,114 -2.61,115 -2.64,116 -2.57,119 41.9,120 1,135 1,138 1,142 2,143 1,147 1,151 2,158 2,159 1,161 1,172 3,174 1,175 5,178 4,180 2,183 3,187 5,190 1,192 1,195 2,198 2,199 4,204 2,207 1,211 1,212 5,217 3,220 1,223 1,224 3,227 1,229 2,232 1,236 1,237 4,245 2,249 1,250 1,253 1,255 1,258 1,262 1,266 1,267 1,275 521,276 13.773,277 13.773,278 13.773,279 13.773,280 13.773,281 12.003,282 11.98,283 8.032,284 14.156,285 11.399,286 11.399,287 11.399,288 11.399,289 11.399,290 8.52,291 13.559,292 3.896,293 12.026,294 3.035,295 0.939,296 0.347,297 0.153,298 0.153,299 0.153,300 3.778,304 1,305 1,306 415,307 2.915,310 103.38,311 52.908,314 82.712,318 1.633,319 27.855,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 47,331 195,332 4.5,333 4.802,334 6.283,335 3.977,336 3.039,337 4.441,338 4.337,339 9.629,340 2.852,341 4.249,342 3.599,343 6.14,344 3.85,345 2.916,346 3.645,347 1.907,348 9.06,349 2.712,350 3.776,351 3.536,352 5.36,353 3.409,354 2.436,355 3.15,356 1.058,357 7.035,358 2.364,359 3.561,360 3.117,361 5.157,362 3.172,363 2.185,364 2.801,365 0.508,366 6.3,367 2.146,368 3.315,369 3.007,370 4.751,371 2.836,372 1.848,373 2.466,374 0.149,375 5.081,376 1.775,377 3.136,378 2.378,379 4.418,380 2.675,381 1.685,382 2.348,384 4.385,385 1.651,386 3.004,387 1.983,388 4.358,389 2.451,390 1.512,391 2.214,393 4.25,394 1.415,395 2.752,396 1.528,397 4.122,398 2.187,399 1.26,400 1.678,402 3.497,403 1.134,404 1.942,405 1.513,406 3.187,407 1.438,408 0.487,409 0.693,411 1.25,412 0.46,413 1.258,414 0.808,415 2.93,416 0.854,417 -0.072,418 -0.091,420 -0.21,421 -0.066,422 1.068,423 0.619,424 2.544,425 0.678,426 -0.272,427 -0.329,428 -0.749,429 -0.255,430 1,431 0.529,432 2.287,433 0.494,434 -0.581,435 -0.831,436 -1.345,437 -0.597,438 0.746,439 0.187,440 2,441 0.223,442 -0.739,443 -1.027,445 -1.967,446 -0.705,447 0.581,448 -0.027,449 2,450 0.101,451 -0.911,452 -1.258,454 -2,455 -0.894,456 0.379,457 -0.493,458 1.689,459 0.07,460 -1,461 -1.418,463 -2.703,464 -1.092,465 9.933,466 0.473,467 0.664,468 0.032,469 29,470 1.381,471 14.5,472 0.69,473 14.5,474 0.69,475 13.547,476 0.645,477 21.867,478 0.705,479 19.944,480 0.95,481 5.781,482 0.275,483 4.227,484 0.201,485 0.151,487 0.393,493 0.736,494 1.293,495 0.657,496 0.857,497 0.551,498 0.775,499 0.489,500 1.069,501 0.674,502 0.949,503 0.511,504 0.829,505 1.247,506 1.002,507 1.188,508 1.063,509 1.202,510 1.083,511 0.633,512 0.908,513 0.733,514 0.79,515 0.479,516 0.946,517 0.868,518 1.173,519 1.137,520 1.172,521 0.792,522 1.126,523 0.936,524 0.851,525 0.987,526 0.908,527 0.823,528 0.979,529 1.341,530 1.077,531 1.148,532 1.1,533 1.447,534 1.104,535 1.029,536 1.001,537 0.721,538 0.911,539 1.147,540 0.982,541 6,542 0.083,543 1.778,544 2.146,545 0.773,546 0.765,547 0.36,548 0.346,549 0.15,550 0.109,551 4419,552 17295,553 2.045,554 32.3,556 3,557 2,559 2,560 3,564 1.628,565 1.881,566 3.203,567 0.472,569 1,571 1,573 59.5,574 1.919,575 4.015,576 4.607,577 4.801,578 4.801,579 4.801,580 2.725,581 4.011,582 4.361,583 3.358,584 705.157,585 7.457,586 7501.74,587 1,588 1,591 153.58,592 1.51,593 4.305,594 0.261,595 0.01,596 0.054,597 0.077,598 0.031,599 0.033,600 0.017,601 0.019,602 0.012,603 0.012,604 0.526,605 0.5,606 1,607 1.083,608 95.365,609 -0.131,610 -0.187,611 0.027,612 0.019,613 -0.074,614 0.025,615 0.233,616 0.021,617 0.187,619 0.093,620 0.038,621 -0.293,622 -0.003,623 -0.282,624 -0.117,625 -0.246,626 -0.174,627 0.131,628 0.029,629 0.109,630 0.092,631 0.214,632 0.07,633 -0.075,634 -0.178,635 -0.139,636 -0.169,637 -0.07,638 -0.142,639 -0.059,640 0.107,641 -0.004,642 0.049,643 -0.002,644 0.041,645 -0.218,646 -0.148,647 -0.14,648 -0.103,649 -0.237,650 -0.14,651 0.045,652 -0.152,653 0.228,654 -0.029,655 -0.038,656 0.085,657 2.06,658 4.49,659 0.667,660 17.324,661 1.036,662 1.122,663 1.384,664 1.916,665 0.72,666 3.178,667 3.526,668 3.738,669 4.043,670 4.159,671 4.22,672 4.382,673 4.489,674 4.511,675 4.564,676 5.57,677 0.71,678 302.34,679 3.178,680 4.727,681 5.565,682 6.454,683 7.311,684 8.202,685 9.069,686 9.959,687 10.832,688 11.721,689 12.9,696 2,697 1,699 1,703 1,704 4,705 1,709 2,711 10,731 31,733 14,735 23,737 33,738 13,739 7,742 3,746 3,747 4,752 1,761 12,762 1,766 4,771 3,773 1,775 4,777 1,778 1,781 10,782 6,783 2,784 8,785 1,787 1,790 4,792 1,794 0.667,795 3,805 1,811 2,812 1,815 1,826 1,831 2,837 1,840 2,842 1,844 1,848 21,855 2,857 1,870 9.7,873 3,877 11.167,878 5.983,879 4.472,880 1.665,881 2.858,882 1.418,883 1.004,884 3.532,885 9.696,886 3.497,887 4.115,888 4.648,889 5.29,890 5.786,891 6.188,892 6.689,893 7.128,894 7.327,895 7.628,896 1,897 28,898 7.72,900 3.353,901 8.19,902 14.087,904 11.358,905 2.69,906 56.5,910 94.169,911 108.827,912 54.094,914 75.435,916 32.22,917 76.607,918 169.604,919 54.094,920 8.825,921 36.022,922 46.524,923 104.896,924 4.472,925 28.94,926 102.846,928 94.169,929 130.701,930 75.435,931 32.22,933 94.169,934 75.435,937 47.848,938 55.04,939 27.813,940 32.22,941 94.169,942 129.528,943 108.827,946 94.169,947 53.478,948 56.635,949 36.022,950 92.22,951 94.169,952 129.528,953 108.827,955 0.59,956 0.319,957 0.179,958 0.093,959 17,960 8,961 0.061,962 2,963 1,964 1.143,965 3.361,966 159.28,967 0.143,968 14,969 90.239,970 1,974 13.86,975 5.352,976 2.989,977 0.667,978 128.242,979 6.976,980 4.225,984 1.206,986 36.022,987 332.524,988 32,993 33.603,995 1.627,997 -0.614,999 32.116,1000 34.787,1001 0.387,1002 0.81,1003 0.93,1004 0.969,1005 0.969,1006 0.969,1007 4.741,1008 1.26,1009 5.572,1010 4.25,1011 4.205,1012 4.8,1013 3.81,1014 6.368,1015 4.1,1016 5.976,1017 0.487,1018 7.12,1019 3.497,1020 3.892,1021 4.758,1022 3.087,1023 7.168,1024 3.756,1025 7.298,1026 -0.072,1027 8.757,1028 1.25,1029 5.79,1030 7.021,1031 6.448,1032 10.238,1033 5.568,1034 8.65,1035 -0.272,1036 10.442,1037 -0.21,1038 6.217,1039 7.748,1040 6.278,1041 11.831,1042 5.94,1043 10.027,1044 -0.581,1045 12.158,1046 -0.749,1047 7.642,1048 9.552,1049 9.288,1050 14.404,1051 7.293,1052 11.423,1053 -0.739,1054 13.896,1055 -1.345,1056 8.42,1057 10.661,1058 9.443,1059 16.358,1060 7.999,1061 12.836,1062 -0.911,1063 15.651,1064 -1.967,1065 9.649,1066 12.276,1067 12.159,1068 18.733,1069 9.164,1070 3.039,1071 -1,1072 17.419,1073 -2,1074 10.596,1075 13.579,1076 12.551,1077 20.85,1078 10.033,1079 2.916,1080 9.629,1081 19.198,1082 -2.703,1083 11.743,1084 15.114,1085 15.039,1086 23.147,1087 11.117,1088 2.436,1089 9.06,1090 20.986,1091 4.441,1092 12.77,1093 16.512,1094 15.615,1095 25.336,1096 12.066,1097 2.185,1098 7.035,1099 22.781,1100 3.645,1101 13.883,1102 18.015,1103 17.926,1104 27.602,1105 13.115,1106 1.848,1107 6.3,1108 24.582,1109 3.15,1110 14.946,1111 19.459,1112 18.648,1113 29.823,1114 14.104,1115 1.685,1116 5.081,1117 26.388,1118 2.801,1119 16.048,1120 20.949,1121 20.819,1122 32.077,1123 15.14,1124 1.512,1125 4.385,1126 28.198,1127 2.466,1128 17.128,1129 22.416,1130 21.659,1131 34.314,1132 16.149,1133 4358,1134 8745,1135 15.027,1136 22.318,1137 35.424,1138 39.166,1139 36.021,1140 34.694,1141 34.734,1142 46.871,1143 15.919,1144 100.975,1145 33.018,1146 5.275,1147 6.802,1148 5.571,1149 5.072,1150 5.039,1151 7.441,1152 8.335,1153 16.028,1154 4.809,1155 11.588,1156 1.54,1157 1.703,1158 1.566,1159 1.508,1160 1.51,1161 2.038,1162 0.692,1163 4.39,1164 1.436,1165 4.121,1166 4.17,1167 4.126,1168 3.976,1169 7.449,1170 3.995,1171 3.771,1172 3.781,1173 4,1174 3.672,1175 7.43,1176 3.648,1177 3.578,1178 3.622,1179 3.512,1180 3.368,1181 7.409,1182 3.387,1183 3.329,1184 3.373,1185 3.266,1186 3.16,1187 5.054,1188 3.17,1189 3.019,1190 3.063,1191 3.007,1192 2.865,1193 4.422,1194 2.869,1195 2.868,1196 2.917,1197 2.884,1198 2.623,1199 4.07,1200 2.657,1201 2.744,1202 2.777,1203 2.72,1204 2.462,1205 3.836,1206 2.477,1207 2.557,1208 2.618,1209 2.456,1210 2.299,1211 3.812,1212 2.293,1213 0.196,1214 0.209,1215 0.273,1216 0.173,1217 0.132,1218 4.5,1219 0.193,1220 4.802,1221 0.189,1222 6.283,1223 0.419,1224 3.977,1225 0.124,1226 3.039,1227 4.441,1228 4.337,1229 9.629,1230 2.852,1231 1.927,1232 1.893,1233 2.005,1234 2.065,1235 1.125,1236 2.05,1237 1.557,1238 1.506,1239 1.746,1240 1.813,1241 0.749,1242 1.788,1243 1.456,1244 1.443,1245 1.517,1246 1.664,1247 0.645,1248 1.612,1249 1.281,1250 1.222,1251 1.487,1252 1.495,1253 0.528,1254 1.501,1255 1.219,1256 1.212,1257 1.244,1258 1.438,1259 0.172,1260 1.433,1261 0.859,1262 0.83,1263 1.067,1264 1.098,1265 0.081,1266 1.098,1267 0.758,1268 0.685,1269 0.897,1270 0.99,1271 0.032,1272 0.98,1273 0.419,1274 0.331,1275 0.755,1276 0.796,1278 0.788,1279 3.85,1281 5.187,1282 3.045,1283 6.681,1284 5.416,1285 8.252,1286 7.486,1287 9.869,1289 1.41,1296 4.801,1298 0.867,1305 21.998,1306 59.5,1307 124.461,1308 142.825,1309 148.825,1310 148.825,1311 148.825,1312 36.419,1313 6.838,1314 96.33,1315 124.57,1316 16,1317 12.254,1318 3.907,1319 3.322,1320 32.323,1321 71,1322 63,1323 0.232,1324 140.168,1325 242.34,1326 333.771,1327 7566,1329 14.983,1330 0.713,1331 0.559,1332 15.336,1333 11.731,1334 10.008,1335 0.435,1336 0.297,1337 5.98,1338 9.054,1339 5.775,1340 4.783,1341 10.416,1342 6.84,1343 9.716,1344 0.294,1345 0.164,1346 10.444,1347 5.402,1348 7.245,1349 0.177,1350 0.086,1351 7.966,1352 3.528,1353 6.478,1354 0.116,1355 0.046,1356 7.246,1357 2.59,1358 4.71,1359 0.075,1360 0.024,1361 5.264,1362 1.486,1363 0.363,1364 67.662,1365 0.258,1366 20.881,1367 0.637,1368 112,1369 414.023,1370 154.619,1371 415.348,1372 552.8,1373 384,1374 130,1375 383.497,1376 164.741,1377 400.533,1378 584.24,1379 375,1380 7.602}
{0 CHEMBL1914710,1 1.911,2 11.393,3 4.423,4 19.566,5 107.654,6 10.095,7 0.742,8 3.852,9 3.923,10 3.815,11 3.546,12 5.068,13 3.517,14 4.337,15 4.429,16 4.14,17 3.915,18 5.829,19 3.884,20 4.584,21 4.721,22 4.232,23 4.044,24 5.931,25 3.983,26 4.613,27 4.768,28 4.159,29 3.968,30 5.936,31 3.887,32 4.525,33 4.688,34 4.132,35 3.843,36 5.949,37 3.799,38 4.372,39 4.524,40 4.051,41 3.792,42 5.942,43 3.736,44 4.365,45 4.523,46 3.958,47 3.771,48 5.689,49 3.692,50 4.255,51 4.402,52 3.832,53 3.638,54 5.613,55 3.569,56 0.132,57 0.645,58 5.605,59 3.61,60 19.796,61 3.243,62 0.386,63 1.014,64 8.56,65 5.67,66 49.972,67 5.482,68 0.477,69 1.312,70 16.412,71 8.429,72 56.838,73 8.058,74 0.605,75 1.272,76 27.729,77 9.407,78 81.258,79 8.425,80 0.697,81 1.106,82 19.492,83 7.922,84 104.819,85 7.727,86 0.584,87 1.036,88 14.206,89 6.684,90 89.349,91 7.086,92 0.474,93 0.964,94 21.279,95 7.126,96 56.377,97 6.805,98 0.425,99 0.857,100 16.591,101 6.192,102 57.002,103 5.832,104 17,105 45,106 0.327,107 0.565,108 0.745,109 0.875,110 0.875,111 0.875,112 3.375,113 0.975,114 -4.06,115 -4.01,116 -3.8,119 48.8,142 10,143 3,144 3,145 2,146 1,147 1,172 10,174 1,175 5,178 2,180 1,183 11,187 9,190 1,192 4,195 12,199 9,204 3,207 7,211 2,212 7,217 2,220 6,224 6,229 2,232 9,236 1,237 7,242 1,245 8,250 4,253 1,255 1,258 7,263 3,271 9,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.101,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.169,294 3.446,295 2.055,296 1.005,297 0.244,298 0.244,299 0.244,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 41.07,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.333,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.101,341 4.457,342 3.186,343 6.318,344 4.001,345 3.017,346 4.365,348 9.663,349 2.971,350 4.23,351 2.953,352 6.102,353 3.747,354 2.798,355 3.921,357 8.891,358 2.668,359 3.853,360 2.873,361 5.855,362 3.422,363 2.471,364 3.398,366 7.996,367 2.324,368 3.795,369 2.58,370 5.14,371 3.315,372 2.376,373 3.261,375 6.301,376 2.197,377 3.118,378 1.988,379 4.734,380 2.606,381 1.645,382 2.427,384 4.775,385 1.597,386 3.085,387 1.654,388 4.487,389 2.591,390 1.618,391 2.314,393 4.489,394 1.547,395 3.034,396 1.618,397 4.312,398 2.508,399 1.55,400 2.273,402 4.035,403 1.469,404 2.832,405 1.526,406 4.144,407 2.303,408 1.383,409 1.962,411 3.686,412 1.278,413 2.784,414 1.319,415 3.608,416 2.267,417 1.297,418 1.917,420 2.945,421 1.197,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.638,434 0.668,435 0.993,436 1.555,437 0.644,438 1.502,439 0.656,440 3.167,441 1.069,442 0.216,443 0.265,445 0.531,446 0.164,447 1.12,448 0.525,449 2.746,450 0.696,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.635,460 -0.318,461 -0.424,463 -0.855,464 -0.299,465 13.7,466 0.489,467 0.837,468 0.03,469 43.25,470 1.545,471 25.5,472 0.911,473 17.75,474 0.634,475 18.391,476 0.657,477 28.3,478 0.69,479 33.184,480 1.185,481 8.473,482 0.303,483 4.947,484 0.177,485 0.122,486 0.061,487 0.292,491 1,493 0.492,494 1.008,495 0.642,496 1.036,497 0.614,498 0.769,499 0.568,500 0.999,501 0.739,502 0.941,503 0.562,504 0.907,505 0.947,506 1.045,507 0.952,508 1.054,509 0.919,510 1.03,511 1.197,512 0.972,513 1.258,514 1.167,515 1.18,516 1.13,517 0.868,518 0.768,519 0.768,520 0.837,521 1.051,522 0.873,523 0.596,524 0.906,525 0.823,526 0.876,527 0.488,528 0.905,529 1.146,530 0.845,531 1.53,532 1.041,533 0.926,534 1.013,535 1.237,536 0.921,537 1.375,538 1.035,539 1.167,540 1.056,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 35460,553 2.085,554 31.7,556 10,558 2,559 1,564 1.711,565 1.942,566 3.48,567 -0.288,569 1,573 78.36,574 1.911,575 3.303,576 4.352,577 5.114,578 5.114,579 5.114,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 219.66,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.049,610 -0.081,611 0.121,612 -0.089,613 -0.123,614 0.026,615 0.165,616 -0.067,617 -0.025,618 -0.074,619 0.163,620 -0.109,621 -0.084,622 -0.069,623 -0.054,624 -0.072,625 -0.051,626 -0.1,627 -0.217,628 -0.064,629 -0.149,630 -0.105,631 -0.17,632 -0.134,633 0.096,634 0.012,635 0.182,636 0.1,637 -0.015,638 0.123,639 0.302,640 0.034,641 0.135,642 0.064,643 0.37,644 0.063,645 -0.211,646 0.035,647 -0.228,648 -0.018,649 -0.103,650 -0.016,651 -0.215,652 -0.049,653 -0.195,654 -0.045,655 -0.165,656 -0.081,657 4.854,658 5.559,659 0.786,660 24.607,661 1.029,662 1.112,663 2.833,664 8.025,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.733,678 413.88,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 7.3,694 1,699 2,703 2,704 12,705 2,709 6,711 23,730 2,731 41,733 25,734 2,735 31,737 44,738 20,739 20,740 5,741 7,746 4,747 5,748 1,761 20,766 2,769 1,771 2,778 1,779 1,781 13,782 6,783 1,784 8,785 2,790 3,794 0.75,795 2,805 2,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 4.9,873 2,877 14.417,878 7.436,879 5.958,880 2.249,881 4.367,882 1.573,883 1.044,884 4.82,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.625,900 4.962,901 8.102,902 19.116,904 15.989,905 2.602,906 72.861,909 1,910 141.253,911 146.253,912 49.976,913 39.149,914 44.313,915 14.96,916 5.807,917 140.446,918 224.715,919 64.936,922 100.57,923 117.831,924 42.612,925 57.181,926 117.711,928 141.253,929 190.422,930 59.273,931 44.956,933 156.213,934 44.313,937 20.239,938 120.207,939 55.783,940 39.149,941 156.213,942 94.289,943 185.402,945 5.807,946 141.253,947 27.589,948 112.857,949 16.405,950 131.993,951 141.253,952 109.249,953 185.402,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.091,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.516,975 7.288,976 3.905,977 1.8,978 109.249,979 18.866,980 8.371,984 1.073,986 16.405,987 435.904,988 44.5,991 -3.937,993 25.119,999 42.174,1000 45.609,1001 0.357,1002 0.617,1003 0.812,1004 0.954,1005 0.954,1006 0.954,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.406,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.077,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.983,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.436,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.862,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.665,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.899,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.865,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 12.02,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 13.061,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.185,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.263,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.377,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.472,1133 9411,1134 17961,1135 20.572,1136 30.938,1137 47.094,1138 48.787,1139 48.134,1140 47,1141 46.879,1142 66.609,1144 139.339,1145 44.312,1146 5.694,1147 6.686,1148 6.999,1149 5.374,1150 5.4,1151 7.709,1153 19.92,1154 5.101,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.516,1160 1.512,1161 2.149,1163 4.495,1164 1.429,1165 4.119,1166 4.13,1167 4.738,1168 4.083,1169 8.201,1170 4.045,1171 4.042,1172 4.036,1173 4.063,1174 4.004,1175 7.717,1176 3.957,1177 3.824,1178 3.856,1179 3.919,1180 3.732,1181 6.999,1182 3.739,1183 3.604,1184 3.587,1185 3.719,1186 3.515,1187 5.062,1188 3.452,1189 3.398,1190 3.433,1191 3.451,1192 3.312,1193 4.964,1194 3.298,1195 3.004,1196 3.056,1197 3.154,1198 2.897,1199 4.584,1200 2.891,1201 2.854,1202 2.925,1203 2.871,1204 2.747,1205 4.44,1206 2.736,1207 2.846,1208 2.898,1209 2.735,1210 2.735,1211 4.19,1212 2.715,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.101,1231 2.058,1232 2.038,1233 2.127,1234 2.134,1235 1.25,1236 2.137,1237 1.954,1238 1.962,1239 1.965,1240 2.029,1241 1.153,1242 2.06,1243 1.785,1244 1.757,1245 1.852,1246 1.899,1247 0.945,1248 1.894,1249 1.455,1250 1.462,1251 1.571,1252 1.599,1253 0.641,1254 1.626,1255 1.348,1256 1.339,1257 1.21,1258 1.489,1259 0.502,1260 1.512,1261 0.984,1262 0.938,1263 1.181,1264 1.148,1265 0.234,1266 1.165,1267 0.886,1268 0.821,1269 1.152,1270 1.062,1271 0.218,1272 1.107,1273 0.814,1274 0.78,1275 0.962,1276 0.998,1277 0.109,1278 1.002,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.089,1291 13.067,1296 2.413,1305 30.053,1306 78.36,1307 135.421,1308 178.44,1309 209.66,1310 209.66,1311 209.66,1312 59.037,1313 7.623,1314 71.95,1315 80.33,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 189.88,1325 322.85,1326 455.066,1327 21990,1328 4.9,1329 19.725,1330 0.704,1331 0.567,1332 19.605,1333 15.876,1334 13.421,1335 0.433,1336 0.325,1337 8.273,1338 11.956,1339 7.962,1340 6.57,1341 14.137,1342 10.075,1343 12.838,1344 0.285,1345 0.179,1346 13.887,1347 8.073,1348 10.559,1349 0.182,1350 0.1,1351 11.62,1352 5.826,1353 8.386,1354 0.115,1355 0.055,1356 9.525,1357 4.014,1358 7.192,1359 0.074,1360 0.03,1361 8.416,1362 2.932,1363 0.295,1364 95.066,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 540.269,1370 218.35,1371 553.384,1372 732.48,1373 508,1374 179,1375 483.229,1376 248.865,1377 533.046,1378 776.26,1379 499,1380 6.424}
{0 CHEMBL1914711,1 1.911,2 11.393,3 3.995,4 15.958,5 108.026,6 10.095,7 0.742,8 3.852,9 3.923,10 3.815,11 3.546,12 5.07,13 3.517,14 4.337,15 4.429,16 4.138,17 3.919,18 5.825,19 3.888,20 4.582,21 4.713,22 4.23,23 4.057,24 5.924,25 3.993,26 4.629,27 4.787,28 4.162,29 3.976,30 5.945,31 3.891,32 4.537,33 4.71,34 4.131,35 3.835,36 5.953,37 3.794,38 4.348,39 4.489,40 4.048,41 3.794,42 5.931,43 3.739,44 4.373,45 4.528,46 3.959,47 3.783,48 5.688,49 3.7,50 4.286,51 4.45,52 3.833,53 3.634,54 5.632,55 3.568,56 0.132,57 0.645,58 5.605,59 3.61,60 19.525,61 3.243,62 0.392,63 1.013,64 8.659,65 5.655,66 51.149,67 5.433,68 0.46,69 1.3,70 15.808,71 8.452,72 55.049,73 8.141,74 0.601,75 1.286,76 28.197,77 9.696,78 80.223,79 8.934,80 0.728,81 1.126,82 20.768,83 8.023,84 109.251,85 7.815,86 0.566,87 1.011,88 13.035,89 6.433,90 87.148,91 6.71,92 0.448,93 0.958,94 21.12,95 7.291,96 53.41,97 7.099,98 0.467,99 0.894,100 18.113,101 6.342,102 62.831,103 5.932,104 17,105 45,106 0.327,107 0.565,108 0.753,109 0.875,110 0.875,111 0.875,112 3.375,113 0.974,114 -4.06,115 -4.01,116 -3.8,119 48.8,142 9,143 4,144 3,145 3,147 1,172 11,174 1,175 4,178 2,180 1,183 13,187 8,190 1,192 4,195 12,199 10,204 3,207 6,211 2,212 7,217 2,220 5,224 7,229 2,232 8,237 7,242 2,245 8,249 1,250 4,258 8,263 4,266 1,271 8,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.103,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.161,294 3.446,295 2.056,296 0.958,297 0.244,298 0.244,299 0.244,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 40.696,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.333,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.101,341 4.457,342 3.186,343 6.318,344 4.006,345 3.017,346 4.365,348 9.663,349 2.986,350 4.23,351 2.953,352 6.102,353 3.753,354 2.798,355 3.921,357 8.891,358 2.686,359 3.853,360 2.873,361 5.855,362 3.424,363 2.471,364 3.398,366 7.996,367 2.326,368 3.795,369 2.58,370 5.14,371 3.315,372 2.376,373 3.261,375 6.301,376 2.198,377 3.118,378 1.988,379 4.734,380 2.614,381 1.645,382 2.427,384 4.775,385 1.612,386 3.085,387 1.654,388 4.487,389 2.592,390 1.618,391 2.314,393 4.489,394 1.547,395 3.034,396 1.618,397 4.312,398 2.497,399 1.55,400 2.273,402 4.035,403 1.454,404 2.832,405 1.526,406 4.144,407 2.3,408 1.383,409 1.962,411 3.686,412 1.254,413 2.784,414 1.319,415 3.608,416 2.247,417 1.297,418 1.917,420 2.945,421 1.19,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.648,434 0.668,435 0.993,436 1.555,437 0.651,438 1.502,439 0.656,440 3.167,441 1.069,442 0.216,443 0.265,445 0.531,446 0.163,447 1.12,448 0.525,449 2.746,450 0.697,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.636,460 -0.318,461 -0.424,463 -0.855,464 -0.3,465 13.7,466 0.489,467 0.837,468 0.03,469 43.25,470 1.545,471 25.5,472 0.911,473 17.75,474 0.634,475 18.403,476 0.657,477 28.3,478 0.69,479 33.171,480 1.185,481 8.472,482 0.303,483 4.948,484 0.177,485 0.122,486 0.061,487 0.292,491 1,493 0.492,494 1.008,495 0.642,496 1.036,497 0.611,498 0.769,499 0.577,500 0.951,501 0.744,502 0.912,503 0.565,504 0.885,505 0.923,506 1.044,507 0.958,508 1.081,509 0.914,510 1.067,511 1.151,512 1.01,513 1.234,514 1.197,515 1.147,516 1.16,517 0.892,518 0.721,519 0.757,520 0.774,521 1.048,522 0.807,523 0.6,524 0.898,525 0.846,526 0.892,527 0.5,528 0.927,529 1.115,530 0.942,531 1.513,532 1.106,533 0.905,534 1.072,535 1.268,536 0.848,537 1.352,538 0.939,539 1.153,540 0.967,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 35648,553 2.085,554 31.7,556 9,558 3,559 1,564 1.711,565 1.942,566 3.48,567 -0.288,569 1,573 78.36,574 1.911,575 3.301,576 4.399,577 5.114,578 5.114,579 5.114,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 219.66,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.049,610 -0.081,611 0.121,612 -0.089,613 -0.12,614 0.026,615 0.156,616 -0.018,617 -0.03,618 -0.044,619 0.159,620 -0.087,621 -0.073,622 -0.078,623 -0.069,624 -0.1,625 -0.052,626 -0.138,627 -0.188,628 -0.116,629 -0.127,630 -0.133,631 -0.153,632 -0.149,633 0.083,634 0.068,635 0.208,636 0.168,637 -0.013,638 0.202,639 0.3,640 0.046,641 0.1,642 0.042,643 0.367,644 0.019,645 -0.204,646 -0.082,647 -0.222,648 -0.081,649 -0.096,650 -0.065,651 -0.236,652 0.039,653 -0.162,654 0.052,655 -0.16,656 0.025,657 4.852,658 5.561,659 0.786,660 24.607,661 1.029,662 1.112,663 2.833,664 8.025,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.733,678 413.88,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 7.3,694 1,699 2,703 2,704 12,705 2,709 6,711 23,730 2,731 41,733 25,734 2,735 31,737 44,738 20,739 20,740 5,741 7,746 4,747 5,748 1,761 20,766 2,769 1,771 2,778 1,779 1,781 13,782 6,783 1,784 8,785 2,790 3,794 0.75,795 2,805 2,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 4.9,873 2,877 14.417,878 7.436,879 5.958,880 2.238,881 4.367,882 1.573,883 1.044,884 4.82,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.622,900 4.958,901 8.102,902 19.116,904 15.997,905 2.602,906 72.861,909 1,910 141.253,911 146.253,912 49.976,913 39.149,914 44.313,915 14.96,916 5.807,917 140.446,918 224.715,919 64.936,922 91.094,923 129.602,924 52.088,925 57.181,926 105.94,928 141.253,929 190.422,930 59.273,931 44.956,933 156.213,934 44.313,937 27.142,938 113.304,939 55.783,940 39.149,941 156.213,942 94.289,943 185.402,945 5.807,946 141.253,947 28.017,948 112.428,949 16.405,950 131.993,951 141.253,952 109.249,953 185.402,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.091,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.516,975 7.288,976 3.905,977 1.987,978 109.249,979 18.835,980 8.179,984 1.1,986 16.405,987 435.904,988 44.5,991 -3.936,993 25.122,999 42.174,1000 45.609,1001 0.357,1002 0.616,1003 0.821,1004 0.954,1005 0.954,1006 0.954,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.409,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.087,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.992,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.452,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.877,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.687,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.92,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.89,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 12.045,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 13.089,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.214,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.294,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.408,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.505,1133 9411,1134 18003,1135 20.572,1136 30.938,1137 47.094,1138 48.787,1139 48.134,1140 46.996,1141 46.879,1142 66.609,1144 139.339,1145 44.337,1146 5.694,1147 6.686,1148 6.999,1149 5.374,1150 5.4,1151 7.709,1153 19.92,1154 5.101,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.516,1160 1.512,1161 2.149,1163 4.495,1164 1.43,1165 4.122,1166 4.132,1167 4.738,1168 4.086,1169 8.201,1170 4.053,1171 4.044,1172 4.037,1173 4.065,1174 4.014,1175 7.717,1176 3.96,1177 3.824,1178 3.856,1179 3.921,1180 3.734,1181 6.999,1182 3.74,1183 3.603,1184 3.585,1185 3.719,1186 3.513,1187 5.058,1188 3.448,1189 3.371,1190 3.413,1191 3.445,1192 3.257,1193 4.958,1194 3.253,1195 3.042,1196 3.088,1197 3.139,1198 2.959,1199 4.584,1200 2.947,1201 2.854,1202 2.925,1203 2.896,1204 2.735,1205 4.481,1206 2.715,1207 2.83,1208 2.891,1209 2.733,1210 2.696,1211 4.226,1212 2.693,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.101,1231 2.068,1232 2.049,1233 2.138,1234 2.136,1235 1.271,1236 2.141,1237 1.954,1238 1.963,1239 1.965,1240 2.03,1241 1.154,1242 2.061,1243 1.786,1244 1.758,1245 1.849,1246 1.899,1247 0.948,1248 1.894,1249 1.434,1250 1.454,1251 1.515,1252 1.593,1253 0.59,1254 1.618,1255 1.316,1256 1.29,1257 1.256,1258 1.472,1259 0.479,1260 1.486,1261 1.044,1262 1.004,1263 1.181,1264 1.18,1265 0.306,1266 1.206,1267 0.886,1268 0.821,1269 1.149,1270 1.062,1271 0.218,1272 1.107,1273 0.781,1274 0.733,1275 0.961,1276 0.995,1277 0.054,1278 0.998,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.091,1291 13.067,1296 2.415,1305 30.053,1306 78.36,1307 135.356,1308 180.375,1309 209.66,1310 209.66,1311 209.66,1312 58.981,1313 7.623,1314 71.95,1315 80.33,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 189.88,1325 322.85,1326 455.066,1327 21990,1328 4.9,1329 19.725,1330 0.704,1331 0.567,1332 19.605,1333 15.876,1334 13.421,1335 0.433,1336 0.325,1337 8.262,1338 11.951,1339 7.948,1340 6.559,1341 14.137,1342 10.065,1343 12.838,1344 0.285,1345 0.18,1346 13.887,1347 8.1,1348 10.559,1349 0.182,1350 0.101,1351 11.62,1352 5.864,1353 8.386,1354 0.115,1355 0.055,1356 9.525,1357 4.022,1358 7.192,1359 0.074,1360 0.03,1361 8.416,1362 2.941,1363 0.295,1364 95.112,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 540.269,1370 218.017,1371 553.575,1372 731.56,1373 508,1374 179,1375 480.877,1376 248.532,1377 531.649,1378 772.9,1379 497,1380 5}
{0 CHEMBL1914712,1 1.979,2 11.393,3 4.13,4 17.054,5 104.753,6 10.372,7 0.742,8 3.839,9 3.91,10 3.82,11 3.513,12 5.076,13 3.494,14 4.321,15 4.414,16 4.148,17 3.869,18 5.84,19 3.853,20 4.557,21 4.698,22 4.24,23 3.98,24 5.946,25 3.939,26 4.556,27 4.707,28 4.161,29 3.897,30 5.93,31 3.838,32 4.457,33 4.603,34 4.133,35 3.792,36 5.934,37 3.765,38 4.342,39 4.488,40 4.064,41 3.746,42 5.944,43 3.708,44 4.333,45 4.49,46 3.961,47 3.725,48 5.721,49 3.66,50 4.209,51 4.358,52 3.833,53 3.598,54 5.57,55 3.537,56 0.153,57 0.67,58 4.9,59 3.462,60 22.526,61 2.903,62 0.423,63 1.047,64 7.484,65 5.373,66 52.569,67 4.847,68 0.568,69 1.328,70 15.391,71 7.846,72 65.268,73 6.972,74 0.682,75 1.235,76 25.748,77 8.466,78 88.889,79 6.804,80 0.714,81 1.053,82 16.127,83 7.044,84 104.294,85 6.353,86 0.632,87 1.018,88 13.372,89 6.201,90 93.752,91 6.353,92 0.548,93 0.948,94 17.342,95 6.374,96 64.002,97 6.06,98 0.423,99 0.844,100 15.262,101 5.819,102 50.809,103 5.505,104 17,105 45,106 0.34,107 0.582,108 0.74,109 0.863,110 0.871,111 0.871,112 3.375,113 0.962,114 -3.07,115 -3.07,116 -2.95,119 47.5,142 9,143 1,144 3,145 2,146 3,147 1,172 5,174 1,175 7,178 2,180 1,183 3,186 1,187 10,190 1,192 4,195 6,198 1,199 7,204 2,207 5,211 2,212 6,215 1,217 1,220 5,224 5,229 1,232 8,236 3,237 5,242 1,245 5,250 4,253 1,255 1,258 3,263 5,271 5,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.153,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.268,294 3.343,295 1.933,296 1.013,297 0.3,298 0.25,299 0.25,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 43.78,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.099,341 4.457,342 3.186,343 6.318,344 3.983,345 3.017,346 4.365,348 9.663,349 2.911,350 4.23,351 2.953,352 6.102,353 3.742,354 2.798,355 3.921,357 8.891,358 2.652,359 3.853,360 2.873,361 5.855,362 3.417,363 2.471,364 3.398,366 7.996,367 2.317,368 3.795,369 2.58,370 5.14,371 3.313,372 2.376,373 3.261,375 6.301,376 2.189,377 3.118,378 1.988,379 4.734,380 2.6,381 1.645,382 2.427,384 4.775,385 1.586,386 3.085,387 1.654,388 4.487,389 2.586,390 1.618,391 2.314,393 4.489,394 1.537,395 3.034,396 1.618,397 4.312,398 2.491,399 1.55,400 2.273,402 4.035,403 1.446,404 2.832,405 1.526,406 4.144,407 2.302,408 1.383,409 1.962,411 3.686,412 1.272,413 2.784,414 1.319,415 3.608,416 2.262,417 1.297,418 1.917,420 2.945,421 1.195,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.623,434 0.668,435 0.993,436 1.555,437 0.634,438 1.502,439 0.656,440 3.167,441 1.067,442 0.216,443 0.265,445 0.531,446 0.163,447 1.12,448 0.525,449 2.746,450 0.689,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.627,460 -0.318,461 -0.424,463 -0.855,464 -0.296,465 13.6,466 0.486,467 0.837,468 0.03,469 43.75,470 1.563,471 25.5,472 0.911,473 18.25,474 0.652,475 18.069,476 0.645,477 28.4,478 0.71,479 33.505,480 1.197,481 8.555,482 0.306,483 4.866,484 0.174,485 0.123,486 0.061,487 0.294,491 1,493 0.521,494 1.072,495 0.639,496 1.067,497 0.625,498 0.775,499 0.609,500 1.088,501 0.738,502 0.971,503 0.578,504 0.916,505 1.01,506 1.055,507 0.965,508 1.029,509 0.954,510 0.989,511 1.299,512 0.937,513 1.323,514 1.138,515 1.26,516 1.088,517 0.906,518 0.76,519 0.803,520 0.86,521 1.119,522 0.897,523 0.568,524 0.925,525 0.816,526 0.94,527 0.498,528 0.929,529 1.03,530 0.819,531 1.351,532 0.926,533 0.878,534 0.994,535 1.116,536 0.985,537 1.375,538 1.095,539 0.992,540 1.092,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 36628,553 2.085,554 30,556 9,558 2,559 1,564 1.711,565 1.942,566 3.48,567 -0.252,569 1,573 79.147,574 1.979,575 3.388,576 4.309,577 5.022,578 5.072,579 5.072,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 212.877,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.033,610 -0.126,611 0.117,612 -0.113,613 -0.127,614 0.013,615 0.137,616 -0.14,617 -0.026,618 -0.103,619 0.153,620 -0.128,621 -0.115,622 -0.056,623 -0.05,624 -0.042,625 -0.065,626 -0.063,627 -0.28,628 -0.004,629 -0.189,630 -0.065,631 -0.208,632 -0.109,633 0.078,634 0.021,635 0.144,636 0.072,637 -0.045,638 0.073,639 0.335,640 0.009,641 0.151,642 0.005,643 0.372,644 0.046,645 -0.112,646 0.055,647 -0.154,648 0.048,649 -0.057,650 -0.004,651 -0.176,652 -0.116,653 -0.175,654 -0.096,655 -0.108,656 -0.092,657 4.874,658 5.544,659 0.786,660 24.607,661 1.035,662 1.117,663 1.84,664 3.386,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.739,678 414.87,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 10,694 1,699 3,703 2,704 11,705 3,709 6,711 23,730 2,731 40,733 25,734 1,735 31,737 43,738 19,739 19,740 2,741 4,746 4,747 5,748 1,761 19,766 2,769 1,771 2,778 1,779 1,781 12,782 7,783 1,784 9,785 2,790 4,794 0.75,795 2,805 3,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 5,873 2,877 14.417,878 7.302,879 5.958,880 2.183,881 4.367,882 1.573,883 1.041,884 4.779,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.624,900 4.972,901 8.138,902 18.987,904 15.788,905 2.638,906 73.861,909 1,910 129.482,911 135.919,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 130.112,918 212.944,919 81.722,922 91.094,923 134.617,924 41.754,925 57.181,926 105.94,928 129.482,929 196.874,930 59.273,931 44.956,933 144.442,934 44.313,937 25.14,938 104.972,939 72.569,940 39.149,941 144.442,942 111.075,943 175.068,945 5.807,946 129.482,947 26.731,948 103.381,949 16.405,950 148.778,951 129.482,952 126.035,953 175.068,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.093,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.454,975 7.25,976 3.881,977 1.439,978 126.035,979 16.374,980 12.785,984 0.62,986 16.405,987 430.585,988 44.5,991 -3.958,993 25.088,999 41.393,1000 44.692,1001 0.372,1002 0.637,1003 0.81,1004 0.944,1005 0.953,1006 0.953,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.392,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.056,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.953,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.398,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.816,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.612,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.838,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.797,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 11.945,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 12.981,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.099,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.171,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.28,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.372,1133 9411,1134 18247,1135 20.572,1136 30.182,1137 47.094,1138 48.787,1139 48.134,1140 47.001,1141 46.879,1142 66.609,1144 139.339,1145 44,1146 5.694,1147 6.686,1148 6.999,1149 5.377,1150 5.4,1151 7.709,1153 19.92,1154 5.099,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.516,1160 1.512,1161 2.149,1163 4.495,1164 1.419,1165 4.111,1166 4.121,1167 4.737,1168 4.075,1169 8.201,1170 4.015,1171 4.031,1172 4.033,1173 4.053,1174 3.956,1175 7.717,1176 3.94,1177 3.824,1178 3.856,1179 3.916,1180 3.731,1181 6.999,1182 3.738,1183 3.603,1184 3.586,1185 3.719,1186 3.514,1187 5.1,1188 3.45,1189 3.388,1190 3.425,1191 3.447,1192 3.296,1193 4.988,1194 3.284,1195 2.957,1196 3.009,1197 3.152,1198 2.847,1199 4.584,1200 2.842,1201 2.854,1202 2.925,1203 2.827,1204 2.735,1205 4.494,1206 2.715,1207 2.826,1208 2.89,1209 2.732,1210 2.66,1211 4.22,1212 2.671,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.099,1231 2.015,1232 1.994,1233 2.075,1234 2.125,1235 1.171,1236 2.118,1237 1.951,1238 1.953,1239 1.964,1240 2.029,1241 1.132,1242 2.058,1243 1.785,1244 1.756,1245 1.852,1246 1.899,1247 0.943,1248 1.894,1249 1.446,1250 1.458,1251 1.557,1252 1.595,1253 0.628,1254 1.622,1255 1.342,1256 1.327,1257 1.183,1258 1.483,1259 0.502,1260 1.505,1261 0.892,1262 0.859,1263 1.181,1264 1.087,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.031,1270 1.062,1271 0.119,1272 1.078,1273 0.782,1274 0.724,1275 0.962,1276 0.995,1277 0.045,1278 0.998,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.069,1291 13.06,1296 2.385,1305 29.547,1306 79.147,1307 135.539,1308 172.348,1309 200.877,1310 202.877,1311 202.877,1312 59.553,1313 7.623,1314 84.84,1315 93.22,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 187.082,1325 316.55,1326 448.239,1327 21990,1328 5,1329 19.725,1330 0.704,1331 0.562,1332 19.605,1333 15.746,1334 13.421,1335 0.433,1336 0.321,1337 8.128,1338 11.895,1339 7.836,1340 6.459,1341 14.137,1342 9.945,1343 12.838,1344 0.285,1345 0.176,1346 13.887,1347 7.9,1348 10.559,1349 0.182,1350 0.097,1351 11.62,1352 5.642,1353 8.386,1354 0.115,1355 0.053,1356 9.525,1357 3.859,1358 7.192,1359 0.074,1360 0.029,1361 8.416,1362 2.8,1363 0.295,1364 95.474,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 559.914,1370 220.404,1371 570.412,1372 755.76,1373 524,1374 179,1375 502.046,1376 251.225,1377 549.781,1378 802.1,1379 515,1380 6.106}
{0 CHEMBL1914713,1 1.979,2 11.393,3 3.701,4 13.699,5 105.125,6 10.372,7 0.742,8 3.839,9 3.91,10 3.82,11 3.513,12 5.078,13 3.494,14 4.321,15 4.414,16 4.146,17 3.873,18 5.836,19 3.857,20 4.554,21 4.69,22 4.238,23 3.994,24 5.94,25 3.949,26 4.574,27 4.728,28 4.165,29 3.906,30 5.938,31 3.843,32 4.47,33 4.626,34 4.135,35 3.778,36 5.942,37 3.755,38 4.32,39 4.462,40 4.063,41 3.73,42 5.939,43 3.699,44 4.321,45 4.474,46 3.961,47 3.721,48 5.718,49 3.658,50 4.209,51 4.358,52 3.833,53 3.598,54 5.57,55 3.537,56 0.153,57 0.67,58 4.9,59 3.462,60 22.291,61 2.903,62 0.428,63 1.045,64 7.591,65 5.358,66 53.658,67 4.795,68 0.551,69 1.319,70 14.737,71 7.87,72 63.443,73 7.048,74 0.681,75 1.25,76 26.225,77 8.756,78 88.472,79 7.321,80 0.74,81 1.071,82 17.388,83 7.16,84 107.669,85 6.502,86 0.628,87 1.005,88 12.788,89 5.927,90 93.08,91 5.888,92 0.539,93 0.939,94 16.734,95 6.234,96 62.687,97 5.834,98 0.423,99 0.844,100 15.262,101 5.819,102 50.809,103 5.505,104 17,105 45,106 0.34,107 0.598,108 0.765,109 0.871,110 0.871,111 0.871,112 3.375,113 0.961,114 -3.07,115 -3.07,116 -2.95,119 47.5,142 8,143 2,144 3,145 3,146 2,147 1,172 6,174 1,175 6,178 2,180 1,183 5,186 1,187 9,190 1,192 4,195 6,198 1,199 8,204 2,207 3,211 2,212 7,215 1,217 1,220 4,224 5,229 1,232 8,236 3,237 5,242 1,245 5,250 4,253 1,255 1,258 3,263 5,271 5,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.156,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.259,294 3.343,295 1.839,296 0.869,297 0.25,298 0.25,299 0.25,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 43.444,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.099,341 4.457,342 3.186,343 6.318,344 3.99,345 3.017,346 4.365,348 9.663,349 2.937,350 4.23,351 2.953,352 6.102,353 3.747,354 2.798,355 3.921,357 8.891,358 2.663,359 3.853,360 2.873,361 5.855,362 3.415,363 2.471,364 3.398,366 7.996,367 2.315,368 3.795,369 2.58,370 5.14,371 3.312,372 2.376,373 3.261,375 6.301,376 2.186,377 3.118,378 1.988,379 4.734,380 2.591,381 1.645,382 2.427,384 4.775,385 1.569,386 3.085,387 1.654,388 4.487,389 2.589,390 1.618,391 2.314,393 4.489,394 1.543,395 3.034,396 1.618,397 4.312,398 2.502,399 1.55,400 2.273,402 4.035,403 1.464,404 2.832,405 1.526,406 4.144,407 2.302,408 1.383,409 1.962,411 3.686,412 1.262,413 2.784,414 1.319,415 3.608,416 2.249,417 1.297,418 1.917,420 2.945,421 1.185,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.612,434 0.668,435 0.993,436 1.555,437 0.627,438 1.502,439 0.656,440 3.167,441 1.068,442 0.216,443 0.265,445 0.531,446 0.163,447 1.12,448 0.525,449 2.746,450 0.691,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.629,460 -0.318,461 -0.424,463 -0.855,464 -0.297,465 13.6,466 0.486,467 0.837,468 0.03,469 43.75,470 1.563,471 25.5,472 0.911,473 18.25,474 0.652,475 18.074,476 0.646,477 28.4,478 0.71,479 33.5,480 1.196,481 8.554,482 0.306,483 4.867,484 0.174,485 0.123,486 0.061,487 0.294,491 1,493 0.521,494 1.072,495 0.639,496 1.067,497 0.622,498 0.775,499 0.617,500 1.041,501 0.743,502 0.94,503 0.582,504 0.893,505 0.986,506 1.053,507 0.971,508 1.058,509 0.949,510 1.029,511 1.248,512 0.976,513 1.296,514 1.172,515 1.225,516 1.123,517 0.922,518 0.752,519 0.786,520 0.817,521 1.111,522 0.842,523 0.604,524 0.92,525 0.831,526 0.92,527 0.518,528 0.901,529 1.045,530 0.831,531 1.371,532 0.939,533 0.891,534 1.008,535 1.116,536 0.985,537 1.375,538 1.095,539 0.992,540 1.092,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 36656,553 2.085,554 30,556 8,558 3,559 1,564 1.711,565 1.942,566 3.48,567 -0.252,569 1,573 79.147,574 1.979,575 3.483,576 4.453,577 5.072,578 5.072,579 5.072,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 212.877,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.033,610 -0.126,611 0.117,612 -0.113,613 -0.125,614 0.013,615 0.128,616 -0.092,617 -0.031,618 -0.071,619 0.149,620 -0.104,621 -0.103,622 -0.063,623 -0.067,624 -0.072,625 -0.065,626 -0.105,627 -0.246,628 -0.059,629 -0.163,630 -0.098,631 -0.19,632 -0.126,633 0.071,634 0.034,635 0.178,636 0.12,637 -0.039,638 0.145,639 0.319,640 0.033,641 0.134,642 0.018,643 0.368,644 0.049,645 -0.122,646 0.049,647 -0.178,648 0.03,649 -0.065,650 -0.034,651 -0.176,652 -0.116,653 -0.175,654 -0.096,655 -0.108,656 -0.092,657 4.874,658 5.544,659 0.786,660 24.607,661 1.035,662 1.117,663 1.84,664 3.386,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.739,678 414.87,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 10,694 1,699 3,703 2,704 11,705 3,709 6,711 23,730 2,731 40,733 25,734 1,735 31,737 43,738 19,739 19,740 2,741 4,746 4,747 5,748 1,761 19,766 2,769 1,771 2,778 1,779 1,781 12,782 7,783 1,784 9,785 2,790 4,794 0.75,795 2,805 3,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 5,873 2,877 14.417,878 7.302,879 5.958,880 2.171,881 4.367,882 1.573,883 1.041,884 4.779,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.621,900 4.969,901 8.138,902 18.987,904 15.796,905 2.638,906 73.861,909 1,910 129.482,911 135.919,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 130.112,918 212.944,919 81.722,922 81.617,923 146.388,924 51.23,925 57.181,926 94.169,928 129.482,929 196.874,930 59.273,931 44.956,933 144.442,934 44.313,937 32.043,938 98.069,939 72.569,940 39.149,941 144.442,942 111.075,943 175.068,945 5.807,946 129.482,947 27.16,948 102.952,949 16.405,950 148.778,951 129.482,952 126.035,953 175.068,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.093,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.454,975 7.25,976 3.881,977 1.626,978 126.035,979 16.354,980 12.616,984 0.62,986 16.405,987 430.585,988 44.5,991 -3.958,993 25.088,999 41.393,1000 44.692,1001 0.372,1002 0.654,1003 0.837,1004 0.953,1005 0.953,1006 0.953,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.394,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.067,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.962,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.415,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.832,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.635,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.861,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.826,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 11.975,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 13.014,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.134,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.209,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.319,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.412,1133 9411,1134 18253,1135 20.572,1136 30.182,1137 47.094,1138 48.787,1139 48.134,1140 46.985,1141 46.879,1142 66.609,1144 139.339,1145 44.026,1146 5.694,1147 6.686,1148 6.999,1149 5.377,1150 5.4,1151 7.709,1153 19.92,1154 5.099,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.516,1160 1.512,1161 2.149,1163 4.495,1164 1.42,1165 4.112,1166 4.123,1167 4.737,1168 4.076,1169 8.201,1170 4.021,1171 4.034,1172 4.034,1173 4.055,1174 3.97,1175 7.717,1176 3.947,1177 3.824,1178 3.856,1179 3.918,1180 3.732,1181 6.999,1182 3.738,1183 3.602,1184 3.584,1185 3.719,1186 3.512,1187 5.094,1188 3.446,1189 3.358,1190 3.403,1191 3.439,1192 3.232,1193 4.984,1194 3.232,1195 2.992,1196 3.046,1197 3.135,1198 2.877,1199 4.584,1200 2.874,1201 2.854,1202 2.925,1203 2.865,1204 2.735,1205 4.533,1206 2.72,1207 2.842,1208 2.896,1209 2.734,1210 2.725,1211 4.248,1212 2.715,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.099,1231 2.026,1232 2.004,1233 2.088,1234 2.127,1235 1.189,1236 2.122,1237 1.952,1238 1.958,1239 1.965,1240 2.029,1241 1.147,1242 2.059,1243 1.785,1244 1.757,1245 1.85,1246 1.899,1247 0.944,1248 1.894,1249 1.427,1250 1.451,1251 1.485,1252 1.59,1253 0.572,1254 1.615,1255 1.299,1256 1.268,1257 1.193,1258 1.463,1259 0.461,1260 1.471,1261 0.963,1262 0.916,1263 1.181,1264 1.137,1265 0.218,1266 1.15,1267 0.886,1268 0.821,1269 1.137,1270 1.062,1271 0.197,1272 1.107,1273 0.803,1274 0.763,1275 0.961,1276 0.997,1277 0.078,1278 1.001,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.069,1291 13.06,1296 2.385,1305 29.547,1306 79.147,1307 139.314,1308 178.122,1309 202.877,1310 202.877,1311 202.877,1312 59.613,1313 7.623,1314 84.84,1315 93.22,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 187.082,1325 316.55,1326 448.239,1327 21990,1328 5,1329 19.725,1330 0.704,1331 0.562,1332 19.605,1333 15.746,1334 13.421,1335 0.433,1336 0.32,1337 8.117,1338 11.89,1339 7.821,1340 6.449,1341 14.137,1342 9.935,1343 12.838,1344 0.285,1345 0.176,1346 13.887,1347 7.928,1348 10.559,1349 0.182,1350 0.098,1351 11.62,1352 5.675,1353 8.386,1354 0.115,1355 0.053,1356 9.525,1357 3.874,1358 7.192,1359 0.074,1360 0.029,1361 8.416,1362 2.812,1363 0.295,1364 95.52,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 559.914,1370 220.071,1371 570.564,1372 754.84,1373 524,1374 179,1375 499.694,1376 250.892,1377 548.388,1378 798.74,1379 513,1380 5}
{0 CHEMBL1914714,1 1.979,2 11.393,3 3.468,4 12.029,5 104.007,6 10.372,7 0.742,8 3.839,9 3.91,10 3.82,11 3.513,12 5.078,13 3.494,14 4.321,15 4.415,16 4.146,17 3.876,18 5.839,19 3.858,20 4.551,21 4.682,22 4.237,23 3.997,24 5.932,25 3.95,26 4.584,27 4.743,28 4.162,29 3.908,30 5.939,31 3.845,32 4.473,33 4.628,34 4.134,35 3.785,36 5.945,37 3.763,38 4.316,39 4.452,40 4.054,41 3.754,42 5.933,43 3.71,44 4.346,45 4.503,46 3.973,47 3.728,48 5.696,49 3.664,50 4.219,51 4.365,52 3.835,53 3.585,54 5.648,55 3.533,56 0.153,57 0.67,58 4.9,59 3.462,60 22.291,61 2.903,62 0.436,63 1.048,64 7.619,65 5.372,66 54.158,67 4.854,68 0.526,69 1.306,70 14.45,71 7.943,72 61.322,73 7.22,74 0.695,75 1.258,76 27.042,77 8.824,78 90.568,79 7.322,80 0.748,81 1.077,82 17.124,83 7.054,84 108.776,85 6.233,86 0.596,87 1,88 11.452,89 6.081,90 88.07,91 6.142,92 0.544,93 0.952,94 21.242,95 6.783,96 63.891,97 6.299,98 0.496,99 0.846,100 12.588,101 5.44,102 64.506,103 5.097,104 17,105 45,106 0.34,107 0.59,108 0.739,109 0.863,110 0.871,111 0.871,112 3.375,113 0.961,114 -3.88,115 -3.84,116 -3.64,119 47.5,142 8,143 3,144 3,145 3,147 1,149 1,172 8,174 2,175 6,178 2,180 1,183 7,187 11,190 1,192 4,195 7,199 10,204 3,207 4,211 3,212 6,217 1,220 5,224 6,227 1,229 1,232 8,236 1,237 6,242 1,245 7,249 2,250 2,253 1,255 1,258 5,263 5,271 5,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.157,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.262,294 3.343,295 1.889,296 1.019,297 0.3,298 0.25,299 0.25,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 43.288,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.1,341 4.457,342 3.186,343 6.318,344 3.993,345 3.017,346 4.365,348 9.663,349 2.946,350 4.23,351 2.953,352 6.102,353 3.74,354 2.798,355 3.921,357 8.891,358 2.648,359 3.853,360 2.873,361 5.855,362 3.42,363 2.471,364 3.398,366 7.996,367 2.322,368 3.795,369 2.58,370 5.14,371 3.314,372 2.376,373 3.261,375 6.301,376 2.195,377 3.118,378 1.988,379 4.734,380 2.592,381 1.645,382 2.427,384 4.775,385 1.549,386 3.085,387 1.654,388 4.487,389 2.57,390 1.618,391 2.314,393 4.489,394 1.534,395 3.034,396 1.618,397 4.312,398 2.506,399 1.55,400 2.273,402 4.035,403 1.468,404 2.832,405 1.526,406 4.144,407 2.303,408 1.383,409 1.962,411 3.686,412 1.273,413 2.784,414 1.319,415 3.608,416 2.262,417 1.297,418 1.917,420 2.945,421 1.194,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.608,434 0.668,435 0.993,436 1.555,437 0.624,438 1.502,439 0.656,440 3.167,441 1.068,442 0.216,443 0.265,445 0.531,446 0.163,447 1.12,448 0.525,449 2.746,450 0.691,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.629,460 -0.318,461 -0.424,463 -0.855,464 -0.297,465 13.6,466 0.486,467 0.837,468 0.03,469 43.75,470 1.563,471 25.5,472 0.911,473 18.25,474 0.652,475 18.092,476 0.646,477 28.4,478 0.71,479 33.482,480 1.196,481 8.551,482 0.305,483 4.869,484 0.174,485 0.123,486 0.061,487 0.294,491 1,493 0.521,494 1.072,495 0.639,496 1.067,497 0.622,498 0.775,499 0.593,500 0.974,501 0.742,502 0.922,503 0.576,504 0.885,505 0.972,506 1.127,507 0.963,508 1.106,509 0.941,510 1.065,511 1.276,512 0.969,513 1.291,514 1.133,515 1.224,516 1.084,517 0.949,518 0.714,519 0.808,520 0.794,521 1.122,522 0.835,523 0.591,524 0.916,525 0.853,526 0.926,527 0.505,528 0.959,529 1.104,530 0.852,531 1.534,532 1.099,533 0.933,534 1.031,535 1.113,536 0.897,537 1.164,538 0.903,539 1.122,540 1.034,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 36784,553 2.085,554 30,556 8,558 3,559 1,564 1.711,565 1.942,566 3.48,567 -0.252,569 1,573 79.147,574 1.979,575 3.433,576 4.303,577 5.022,578 5.072,579 5.072,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 212.877,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.033,610 -0.126,611 0.117,612 -0.113,613 -0.125,614 0.013,615 0.153,616 -0.024,617 -0.03,618 -0.052,619 0.155,620 -0.096,621 -0.1,622 -0.149,623 -0.061,624 -0.116,625 -0.06,626 -0.135,627 -0.274,628 -0.052,629 -0.154,630 -0.058,631 -0.194,632 -0.078,633 0.046,634 0.081,635 0.148,636 0.137,637 -0.051,638 0.138,639 0.314,640 0.027,641 0.098,642 0.013,643 0.373,644 -0.012,645 -0.175,646 0.014,647 -0.212,648 -0.063,649 -0.105,650 -0.01,651 -0.106,652 -0.026,653 -0.108,654 0.028,655 -0.118,656 -0.073,657 4.87,658 5.547,659 0.786,660 24.607,661 1.035,662 1.117,663 2.652,664 7.033,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.739,678 414.87,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 10,694 1,699 3,703 2,704 11,705 3,709 6,711 23,730 2,731 40,733 25,734 1,735 31,737 43,738 19,739 19,740 2,741 4,746 4,747 5,748 1,761 19,766 2,769 1,771 2,778 1,779 1,781 12,782 7,783 1,784 9,785 2,790 4,794 0.75,795 2,805 3,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 5,873 2,877 14.417,878 7.302,879 5.958,880 2.171,881 4.367,882 1.573,883 1.041,884 4.779,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.619,900 4.966,901 8.138,902 18.987,904 15.796,905 2.638,906 73.861,909 1,910 129.482,911 135.919,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 130.112,918 212.944,919 81.722,922 81.617,923 146.388,924 51.23,925 57.181,926 94.169,928 129.482,929 196.874,930 59.273,931 44.956,933 146.158,934 44.313,937 27.142,938 101.254,939 72.569,940 39.149,941 144.442,942 111.075,943 175.068,945 5.807,946 129.482,947 27.16,948 102.952,949 16.405,950 148.778,951 129.482,952 126.035,953 175.068,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.093,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.454,975 7.25,976 3.881,977 1.439,978 126.035,979 16.396,980 12.526,984 0.832,986 16.405,987 430.585,988 44.5,991 -3.953,993 25.094,999 41.393,1000 44.692,1001 0.372,1002 0.645,1003 0.809,1004 0.944,1005 0.953,1006 0.953,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.394,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.068,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.963,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.418,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.835,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.639,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.866,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.831,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 11.981,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 13.022,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.142,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.218,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.33,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.424,1133 9411,1134 18281,1135 20.572,1136 30.182,1137 47.094,1138 48.787,1139 48.134,1140 46.984,1141 46.879,1142 66.609,1144 139.339,1145 44.029,1146 5.694,1147 6.686,1148 6.999,1149 5.376,1150 5.4,1151 7.709,1153 19.92,1154 5.1,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.516,1160 1.512,1161 2.149,1163 4.495,1164 1.42,1165 4.112,1166 4.123,1167 4.737,1168 4.077,1169 8.201,1170 4.021,1171 4.032,1172 4.033,1173 4.055,1174 3.966,1175 7.717,1176 3.944,1177 3.822,1178 3.855,1179 3.915,1180 3.728,1181 6.999,1182 3.735,1183 3.604,1184 3.587,1185 3.719,1186 3.515,1187 5.103,1188 3.451,1189 3.378,1190 3.416,1191 3.45,1192 3.273,1193 5,1194 3.266,1195 2.933,1196 3.001,1197 3.133,1198 2.775,1199 4.584,1200 2.776,1201 2.854,1202 2.925,1203 2.837,1204 2.735,1205 4.47,1206 2.722,1207 2.846,1208 2.898,1209 2.735,1210 2.711,1211 4.26,1212 2.715,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.1,1231 2.024,1232 2.003,1233 2.084,1234 2.126,1235 1.191,1236 2.12,1237 1.951,1238 1.955,1239 1.964,1240 2.029,1241 1.144,1242 2.058,1243 1.782,1244 1.753,1245 1.851,1246 1.898,1247 0.938,1248 1.893,1249 1.443,1250 1.459,1251 1.516,1252 1.596,1253 0.609,1254 1.622,1255 1.317,1256 1.3,1257 1.181,1258 1.471,1259 0.466,1260 1.484,1261 0.886,1262 0.821,1263 1.166,1264 1.094,1265 0.218,1266 1.107,1267 0.859,1268 0.794,1269 1.074,1270 1.062,1271 0.114,1272 1.09,1273 0.813,1274 0.778,1275 0.961,1276 0.998,1277 0.035,1278 1.001,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.074,1291 13.061,1296 2.392,1305 29.547,1306 79.147,1307 137.314,1308 172.122,1309 200.877,1310 202.877,1311 202.877,1312 59.382,1313 7.623,1314 84.84,1315 93.22,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 187.082,1325 316.55,1326 448.239,1327 21990,1328 5,1329 19.725,1330 0.704,1331 0.562,1332 19.605,1333 15.746,1334 13.421,1335 0.433,1336 0.32,1337 8.117,1338 11.892,1339 7.82,1340 6.451,1341 14.137,1342 9.935,1343 12.838,1344 0.285,1345 0.176,1346 13.887,1347 7.936,1348 10.559,1349 0.182,1350 0.098,1351 11.62,1352 5.677,1353 8.386,1354 0.115,1355 0.053,1356 9.525,1357 3.882,1358 7.192,1359 0.074,1360 0.029,1361 8.416,1362 2.819,1363 0.295,1364 95.52,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 559.914,1370 220.126,1371 570.696,1372 754.92,1373 524,1374 179,1375 499.694,1376 250.864,1377 548.709,1378 799.48,1379 513,1380 6.068}
{0 CHEMBL1914715,1 1.979,2 11.393,3 3.701,4 13.699,5 105.125,6 10.372,7 0.742,8 3.839,9 3.91,10 3.82,11 3.513,12 5.078,13 3.494,14 4.321,15 4.414,16 4.146,17 3.873,18 5.837,19 3.857,20 4.554,21 4.69,22 4.236,23 3.998,24 5.936,25 3.952,26 4.569,27 4.716,28 4.16,29 3.926,30 5.925,31 3.857,32 4.499,33 4.66,34 4.134,35 3.804,36 5.949,37 3.774,38 4.345,39 4.497,40 4.055,41 3.75,42 5.947,43 3.708,44 4.32,45 4.467,46 3.961,47 3.736,48 5.681,49 3.666,50 4.233,51 4.38,52 3.849,53 3.588,54 5.62,55 3.538,56 0.153,57 0.67,58 4.9,59 3.462,60 22.291,61 2.903,62 0.428,63 1.045,64 7.591,65 5.358,66 53.422,67 4.795,68 0.556,69 1.317,70 14.844,71 7.855,72 64.532,73 6.996,74 0.652,75 1.231,76 25.521,77 8.795,78 85.808,79 7.402,80 0.743,81 1.09,82 18.158,83 7.498,84 108.834,85 6.981,86 0.639,87 1.032,88 13.057,89 6.231,90 93.867,91 6.249,92 0.508,93 0.933,94 19.322,95 6.663,96 58.209,97 6.088,98 0.492,99 0.85,100 16.489,101 5.849,102 64.395,103 5.336,104 17,105 45,106 0.34,107 0.581,108 0.739,109 0.846,110 0.854,111 0.863,112 3.375,113 0.961,114 -3.07,115 -3.07,116 -2.95,119 47.5,142 8,143 2,144 3,145 3,146 2,147 1,172 7,174 1,175 4,178 2,180 1,183 7,186 1,187 10,190 1,192 4,195 7,199 11,204 3,207 2,211 2,212 7,217 2,220 3,223 1,224 5,229 1,232 8,236 1,237 6,240 1,245 7,250 3,253 1,258 6,262 2,263 1,271 6,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.166,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.272,294 3.343,295 1.939,296 1.019,297 0.4,298 0.35,299 0.3,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 43.354,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.1,341 4.457,342 3.186,343 6.318,344 3.995,345 3.017,346 4.365,348 9.663,349 2.951,350 4.23,351 2.953,352 6.102,353 3.739,354 2.798,355 3.921,357 8.891,358 2.641,359 3.853,360 2.873,361 5.855,362 3.419,363 2.471,364 3.398,366 7.996,367 2.321,368 3.795,369 2.58,370 5.14,371 3.314,372 2.376,373 3.261,375 6.301,376 2.195,377 3.118,378 1.988,379 4.734,380 2.592,381 1.645,382 2.427,384 4.775,385 1.549,386 3.085,387 1.654,388 4.487,389 2.572,390 1.618,391 2.314,393 4.489,394 1.54,395 3.034,396 1.618,397 4.312,398 2.503,399 1.55,400 2.273,402 4.035,403 1.461,404 2.832,405 1.526,406 4.144,407 2.302,408 1.383,409 1.962,411 3.686,412 1.268,413 2.784,414 1.319,415 3.608,416 2.259,417 1.297,418 1.917,420 2.945,421 1.195,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.614,434 0.668,435 0.993,436 1.555,437 0.628,438 1.502,439 0.656,440 3.167,441 1.068,442 0.216,443 0.265,445 0.531,446 0.163,447 1.12,448 0.525,449 2.746,450 0.692,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.631,460 -0.318,461 -0.424,463 -0.855,464 -0.298,465 13.6,466 0.486,467 0.837,468 0.03,469 43.75,470 1.563,471 25.5,472 0.911,473 18.25,474 0.652,475 18.106,476 0.647,477 28.4,478 0.71,479 33.468,480 1.195,481 8.554,482 0.306,483 4.866,484 0.174,485 0.123,486 0.061,487 0.294,491 1,493 0.521,494 1.072,495 0.639,496 1.067,497 0.622,498 0.775,499 0.617,500 1.041,501 0.743,502 0.94,503 0.58,504 0.893,505 0.993,506 1.016,507 0.976,508 1.034,509 0.952,510 1.011,511 1.233,512 1.001,513 1.303,514 1.208,515 1.221,516 1.166,517 0.901,518 0.781,519 0.782,520 0.837,521 1.074,522 0.873,523 0.636,524 0.849,525 0.846,526 0.838,527 0.51,528 0.875,529 1.143,530 0.841,531 1.593,532 1.09,533 0.952,534 1.064,535 1.195,536 0.933,537 1.373,538 1.099,539 1.18,540 1.074,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 36948,553 2.085,554 30,556 8,558 3,559 1,564 1.711,565 1.942,566 3.48,567 -0.252,569 1,573 79.147,574 1.979,575 3.383,576 4.303,577 4.922,578 4.972,579 5.022,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 212.877,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.033,610 -0.126,611 0.117,612 -0.113,613 -0.125,614 0.013,615 0.128,616 -0.092,617 -0.031,618 -0.071,619 0.151,620 -0.104,621 -0.11,622 -0.025,623 -0.071,624 -0.047,625 -0.068,626 -0.086,627 -0.25,628 -0.098,629 -0.181,630 -0.132,631 -0.193,632 -0.167,633 0.065,634 -0.009,635 0.182,636 0.105,637 -0.031,638 0.137,639 0.279,640 0.1,641 0.123,642 0.104,643 0.363,644 0.092,645 -0.211,646 0.031,647 -0.276,648 -0.057,649 -0.118,650 -0.069,651 -0.177,652 -0.072,653 -0.173,654 -0.097,655 -0.171,656 -0.078,657 4.866,658 5.549,659 0.786,660 24.607,661 1.035,662 1.117,663 1.84,664 3.386,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.739,678 414.87,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 10,694 1,699 3,703 2,704 11,705 3,709 6,711 23,730 2,731 40,733 25,734 2,735 31,737 43,738 19,739 19,740 5,741 7,746 4,747 5,748 1,761 19,766 2,769 1,771 2,778 1,779 1,781 12,782 7,783 1,784 9,785 2,790 4,794 0.75,795 2,802 1,805 1,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 5,873 2,877 14.417,878 7.302,879 5.958,880 2.171,881 4.367,882 1.573,883 1.041,884 4.779,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.618,900 4.964,901 8.138,902 18.987,904 15.796,905 2.638,906 73.861,909 1,910 129.482,911 135.919,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 130.112,918 212.944,919 81.722,922 81.617,923 146.388,924 51.23,925 57.181,926 94.169,928 129.482,929 196.874,930 59.273,931 44.956,933 144.442,934 44.313,937 31.431,938 98.681,939 72.569,940 39.149,941 144.442,942 111.075,943 175.068,945 5.807,946 129.482,947 27.16,948 102.952,949 16.405,950 148.778,951 129.482,952 126.035,953 175.068,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.093,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.454,975 7.25,976 3.881,977 1.439,978 126.035,979 16.268,980 12.551,984 0.919,986 16.405,987 430.585,988 44.5,991 -3.95,993 25.099,999 41.393,1000 44.692,1001 0.372,1002 0.636,1003 0.809,1004 0.925,1005 0.934,1006 0.944,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.394,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.067,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.963,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.417,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.835,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.64,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.868,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.833,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 11.984,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 13.025,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.146,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.223,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.335,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.429,1133 9411,1134 18317,1135 20.572,1136 30.182,1137 47.094,1138 48.787,1139 48.134,1140 46.987,1141 46.879,1142 66.609,1144 139.339,1145 44.023,1146 5.694,1147 6.686,1148 6.999,1149 5.389,1150 5.4,1151 7.709,1153 19.92,1154 5.1,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.516,1160 1.512,1161 2.149,1163 4.495,1164 1.42,1165 4.113,1166 4.124,1167 4.738,1168 4.078,1169 8.201,1170 4.025,1171 4.032,1172 4.032,1173 4.056,1174 3.971,1175 7.717,1176 3.945,1177 3.818,1178 3.852,1179 3.914,1180 3.713,1181 6.999,1182 3.723,1183 3.601,1184 3.585,1185 3.719,1186 3.509,1187 5.1,1188 3.445,1189 3.38,1190 3.421,1191 3.443,1192 3.261,1193 5.007,1194 3.26,1195 2.972,1196 3.025,1197 3.146,1198 2.862,1199 4.584,1200 2.855,1201 2.854,1202 2.925,1203 2.842,1204 2.735,1205 4.452,1206 2.715,1207 2.837,1208 2.894,1209 2.734,1210 2.721,1211 4.206,1212 2.715,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.1,1231 2.029,1232 2.008,1233 2.089,1234 2.127,1235 1.203,1236 2.122,1237 1.95,1238 1.955,1239 1.964,1240 2.028,1241 1.145,1242 2.057,1243 1.769,1244 1.738,1245 1.828,1246 1.896,1247 0.905,1248 1.887,1249 1.433,1250 1.451,1251 1.526,1252 1.594,1253 0.565,1254 1.618,1255 1.326,1256 1.299,1257 1.193,1258 1.48,1259 0.472,1260 1.497,1261 0.942,1262 0.897,1263 1.181,1264 1.114,1265 0.218,1266 1.126,1267 0.886,1268 0.821,1269 1.126,1270 1.062,1271 0.203,1272 1.107,1273 0.804,1274 0.764,1275 0.962,1276 0.996,1277 0.099,1278 1,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.077,1291 13.062,1296 2.397,1305 29.547,1306 79.147,1307 135.314,1308 172.122,1309 196.877,1310 198.877,1311 200.877,1312 59.322,1313 7.623,1314 84.84,1315 93.22,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 187.082,1325 316.55,1326 448.239,1327 21990,1328 5,1329 19.725,1330 0.704,1331 0.562,1332 19.605,1333 15.746,1334 13.421,1335 0.433,1336 0.32,1337 8.117,1338 11.887,1339 7.822,1340 6.447,1341 14.137,1342 9.935,1343 12.838,1344 0.285,1345 0.176,1346 13.887,1347 7.922,1348 10.559,1349 0.182,1350 0.098,1351 11.62,1352 5.693,1353 8.386,1354 0.115,1355 0.053,1356 9.525,1357 3.902,1358 7.192,1359 0.074,1360 0.029,1361 8.416,1362 2.838,1363 0.295,1364 95.52,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 559.914,1370 220.071,1371 570.432,1372 754.8,1373 524,1374 179,1375 499.694,1376 250.753,1377 548.09,1378 798.3,1379 513,1380 5.839}
{0 CHEMBL1914716,1 1.979,2 11.393,3 3.795,4 14.404,5 106.507,6 10.372,7 0.742,8 3.839,9 3.91,10 3.82,11 3.513,12 5.08,13 3.494,14 4.321,15 4.416,16 4.144,17 3.881,18 5.836,19 3.862,20 4.548,21 4.675,22 4.234,23 4.015,24 5.923,25 3.963,26 4.598,27 4.756,28 4.162,29 3.936,30 5.938,31 3.864,32 4.499,33 4.66,34 4.134,35 3.804,36 5.949,37 3.774,38 4.343,39 4.492,40 4.054,41 3.75,42 5.943,43 3.708,44 4.338,45 4.495,46 3.962,47 3.729,48 5.695,49 3.663,50 4.204,51 4.339,52 3.836,53 3.597,54 5.604,55 3.54,56 0.153,57 0.67,58 4.9,59 3.462,60 22.055,61 2.903,62 0.441,63 1.047,64 7.726,65 5.357,66 55.011,67 4.802,68 0.514,69 1.295,70 13.903,71 7.952,72 60.35,73 7.244,74 0.681,75 1.263,76 26.972,77 9.123,78 89.415,79 7.863,80 0.743,81 1.09,82 18.158,83 7.498,84 109.07,85 6.981,86 0.622,87 1.024,88 12.899,89 6.261,90 91.939,91 6.305,92 0.542,93 0.957,94 20.319,95 6.673,96 62.69,97 5.969,98 0.457,99 0.832,100 14.569,101 5.729,102 58.713,103 5.126,104 17,105 45,106 0.34,107 0.602,108 0.777,109 0.871,110 0.871,111 0.871,112 3.375,113 0.96,114 -3.88,115 -3.84,116 -3.64,119 47.5,142 8,143 3,144 3,145 2,146 1,147 1,148 1,172 8,174 2,175 5,178 2,180 1,183 9,187 9,190 1,192 4,195 9,199 11,204 3,207 3,211 2,212 9,217 2,220 3,224 6,229 2,232 8,236 2,237 6,245 8,250 4,253 2,258 6,263 2,271 8,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.169,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.266,294 3.343,295 1.82,296 0.8,297 0.25,298 0.25,299 0.25,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 42.758,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.1,341 4.457,342 3.186,343 6.318,344 4,345 3.017,346 4.365,348 9.663,349 2.967,350 4.23,351 2.953,352 6.102,353 3.745,354 2.798,355 3.921,357 8.891,358 2.66,359 3.853,360 2.873,361 5.855,362 3.42,363 2.471,364 3.398,366 7.996,367 2.322,368 3.795,369 2.58,370 5.14,371 3.314,372 2.376,373 3.261,375 6.301,376 2.195,377 3.118,378 1.988,379 4.734,380 2.591,381 1.645,382 2.427,384 4.775,385 1.571,386 3.085,387 1.654,388 4.487,389 2.59,390 1.618,391 2.314,393 4.489,394 1.544,395 3.034,396 1.618,397 4.312,398 2.488,399 1.55,400 2.273,402 4.035,403 1.442,404 2.832,405 1.526,406 4.144,407 2.3,408 1.383,409 1.962,411 3.686,412 1.245,413 2.784,414 1.319,415 3.608,416 2.236,417 1.297,418 1.917,420 2.945,421 1.184,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.621,434 0.668,435 0.993,436 1.555,437 0.633,438 1.502,439 0.656,440 3.167,441 1.068,442 0.216,443 0.265,445 0.531,446 0.163,447 1.12,448 0.525,449 2.746,450 0.692,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.63,460 -0.318,461 -0.424,463 -0.855,464 -0.297,465 13.6,466 0.486,467 0.837,468 0.03,469 43.75,470 1.563,471 25.5,472 0.911,473 18.25,474 0.652,475 18.13,476 0.647,477 28.4,478 0.71,479 33.444,480 1.194,481 8.551,482 0.305,483 4.87,484 0.174,485 0.123,486 0.061,487 0.294,491 1,493 0.521,494 1.072,495 0.639,496 1.067,497 0.619,498 0.775,499 0.602,500 0.927,501 0.747,502 0.891,503 0.578,504 0.862,505 0.954,506 1.088,507 0.974,508 1.112,509 0.937,510 1.087,511 1.21,512 0.97,513 1.275,514 1.172,515 1.189,516 1.14,517 0.901,518 0.781,519 0.782,520 0.837,521 1.076,522 0.873,523 0.639,524 0.927,525 0.841,526 0.876,527 0.507,528 0.902,529 1.189,530 0.787,531 1.587,532 1.011,533 0.958,534 0.991,535 1.241,536 0.923,537 1.434,538 1.088,539 1.21,540 1.113,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 37132,553 2.085,554 30,556 8,558 3,559 1,564 1.711,565 1.942,566 3.48,567 -0.252,569 1,573 79.147,574 1.979,575 3.502,576 4.522,577 5.072,578 5.072,579 5.072,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 212.877,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.033,610 -0.126,611 0.117,612 -0.113,613 -0.122,614 0.013,615 0.144,616 0.024,617 -0.036,618 -0.021,619 0.153,620 -0.072,621 -0.095,622 -0.118,623 -0.081,624 -0.121,625 -0.062,626 -0.159,627 -0.238,628 -0.075,629 -0.15,630 -0.095,631 -0.18,632 -0.117,633 0.065,634 -0.009,635 0.182,636 0.105,637 -0.032,638 0.137,639 0.269,640 0.014,641 0.127,642 0.067,643 0.363,644 0.069,645 -0.243,646 0.099,647 -0.264,648 0.018,649 -0.123,650 0.007,651 -0.217,652 -0.055,653 -0.244,654 -0.092,655 -0.188,656 -0.148,657 4.864,658 5.551,659 0.786,660 24.607,661 1.035,662 1.117,663 2.652,664 7.033,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.739,678 414.87,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 10,694 1,699 3,703 2,704 11,705 3,709 6,711 23,730 2,731 40,733 25,734 2,735 31,737 43,738 19,739 19,740 5,741 7,746 4,747 5,748 1,761 19,766 2,769 1,771 2,778 1,779 1,781 12,782 7,783 1,784 9,785 2,790 4,794 0.75,795 2,805 1,806 1,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 5,873 2,877 14.417,878 7.302,879 5.958,880 2.16,881 4.367,882 1.573,883 1.041,884 4.779,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.613,900 4.958,901 8.138,902 18.987,904 15.805,905 2.638,906 73.861,909 1,910 129.482,911 135.919,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 130.112,918 212.944,919 81.722,922 81.617,923 146.388,924 51.23,925 57.181,926 94.169,928 129.482,929 196.874,930 59.273,931 44.956,933 144.442,934 44.313,937 28.858,938 101.254,939 72.569,940 39.149,941 144.442,942 111.075,943 175.068,945 5.807,946 129.482,947 27.589,948 102.523,949 16.405,950 148.778,951 129.482,952 126.035,953 175.068,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.093,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.454,975 7.25,976 3.881,977 1.626,978 126.035,979 16.328,980 12.246,984 0.964,986 16.405,987 430.585,988 44.5,991 -3.947,993 25.102,999 41.393,1000 44.692,1001 0.372,1002 0.658,1003 0.85,1004 0.953,1005 0.953,1006 0.953,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.397,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.077,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.972,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.434,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.851,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.661,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.889,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.859,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 12.01,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 13.053,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.176,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.254,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.367,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.462,1133 9411,1134 18359,1135 20.572,1136 30.182,1137 47.094,1138 48.787,1139 48.134,1140 46.98,1141 46.879,1142 66.609,1144 139.339,1145 44.052,1146 5.694,1147 6.686,1148 6.999,1149 5.39,1150 5.4,1151 7.709,1153 19.92,1154 5.1,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.515,1160 1.512,1161 2.149,1163 4.495,1164 1.421,1165 4.115,1166 4.126,1167 4.738,1168 4.08,1169 8.201,1170 4.032,1171 4.035,1172 4.033,1173 4.059,1174 3.985,1175 7.717,1176 3.95,1177 3.818,1178 3.852,1179 3.915,1180 3.717,1181 6.999,1182 3.725,1183 3.6,1184 3.583,1185 3.719,1186 3.509,1187 5.098,1188 3.443,1189 3.352,1190 3.4,1191 3.435,1192 3.203,1193 5.01,1194 3.212,1195 2.998,1196 3.052,1197 3.13,1198 2.887,1199 4.584,1200 2.881,1201 2.854,1202 2.925,1203 2.87,1204 2.735,1205 4.491,1206 2.715,1207 2.838,1208 2.895,1209 2.734,1210 2.712,1211 4.234,1212 2.709,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.1,1231 2.04,1232 2.02,1233 2.103,1234 2.129,1235 1.227,1236 2.126,1237 1.951,1238 1.958,1239 1.964,1240 2.028,1241 1.15,1242 2.058,1243 1.77,1244 1.74,1245 1.828,1246 1.895,1247 0.918,1248 1.886,1249 1.42,1250 1.446,1251 1.457,1252 1.588,1253 0.55,1254 1.611,1255 1.281,1256 1.241,1257 1.21,1258 1.462,1259 0.411,1260 1.465,1261 0.982,1262 0.935,1263 1.181,1264 1.146,1265 0.225,1266 1.164,1267 0.886,1268 0.821,1269 1.144,1270 1.062,1271 0.218,1272 1.107,1273 0.794,1274 0.749,1275 0.961,1276 0.997,1277 0.059,1278 1,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.079,1291 13.062,1296 2.4,1305 29.547,1306 79.147,1307 140.068,1308 180.877,1309 202.877,1310 202.877,1311 202.877,1312 59.104,1313 7.623,1314 84.84,1315 93.22,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 187.082,1325 316.55,1326 448.239,1327 21990,1328 5,1329 19.725,1330 0.704,1331 0.562,1332 19.605,1333 15.746,1334 13.421,1335 0.433,1336 0.32,1337 8.106,1338 11.885,1339 7.806,1340 6.439,1341 14.137,1342 9.925,1343 12.838,1344 0.285,1345 0.177,1346 13.887,1347 7.959,1348 10.559,1349 0.182,1350 0.099,1351 11.62,1352 5.728,1353 8.386,1354 0.115,1355 0.054,1356 9.525,1357 3.923,1358 7.192,1359 0.074,1360 0.029,1361 8.416,1362 2.85,1363 0.295,1364 95.566,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 559.914,1370 219.793,1371 570.889,1372 753.96,1373 524,1374 179,1375 497.342,1376 250.364,1377 547.337,1378 795.64,1379 511,1380 7.638}
{0 CHEMBL1914717,1 1.979,2 11.393,3 3.956,4 15.649,5 107.517,6 10.372,7 0.742,8 3.839,9 3.912,10 3.821,11 3.517,12 5.087,13 3.496,14 4.317,15 4.407,16 4.143,17 3.884,18 5.828,19 3.863,20 4.56,21 4.695,22 4.234,23 4.012,24 5.931,25 3.962,26 4.59,27 4.743,28 4.162,29 3.934,30 5.937,31 3.863,32 4.499,33 4.661,34 4.132,35 3.809,36 5.945,37 3.778,38 4.34,39 4.482,40 4.052,41 3.768,42 5.937,43 3.721,44 4.357,45 4.516,46 3.963,47 3.745,48 5.697,49 3.673,50 4.237,51 4.39,52 3.837,53 3.593,54 5.623,55 3.538,56 0.161,57 0.673,58 4.927,59 3.475,60 22.555,61 2.962,62 0.416,63 1.034,64 7.439,65 5.43,66 52.89,67 4.973,68 0.54,69 1.313,70 14.77,71 8.005,72 63.286,73 7.24,74 0.673,75 1.255,76 26.365,77 8.983,78 87.865,79 7.637,80 0.749,81 1.089,82 18.265,83 7.484,84 110.159,85 6.929,86 0.605,87 1.014,88 12.245,89 6.285,90 90.114,91 6.382,92 0.529,93 0.962,94 20.746,95 6.978,96 61.434,97 6.49,98 0.499,99 0.863,100 16.173,101 5.879,102 64.509,103 5.232,104 17,105 45,106 0.34,107 0.594,108 0.749,109 0.863,110 0.871,111 0.871,112 3.375,113 0.962,114 -3.88,115 -3.84,116 -3.64,119 47.5,142 9,143 3,144 3,145 2,146 1,147 1,166 1,172 9,174 1,175 5,178 2,180 1,183 10,187 11,190 1,192 4,195 11,199 11,204 3,207 5,211 2,212 8,217 2,220 4,224 7,229 2,232 8,236 1,237 7,242 1,245 8,249 1,250 4,253 1,258 7,263 3,266 1,271 8,275 1218,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 15.607,282 7.599,283 10.762,284 19.111,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 10.779,291 3.678,292 5.122,293 16.174,294 3.343,295 1.865,296 0.963,297 0.3,298 0.25,299 0.25,300 4.069,302 1,304 1,305 1,306 697,307 3.317,311 334.611,315 126.841,318 1.707,319 42.165,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 319,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.101,341 4.457,342 3.186,343 6.318,344 4.002,345 3.017,346 4.365,348 9.663,349 2.972,350 4.23,351 2.953,352 6.102,353 3.748,354 2.798,355 3.921,357 8.891,358 2.67,359 3.853,360 2.873,361 5.855,362 3.422,363 2.471,364 3.398,366 7.996,367 2.324,368 3.795,369 2.58,370 5.14,371 3.315,372 2.376,373 3.261,375 6.301,376 2.197,377 3.118,378 1.988,379 4.734,380 2.604,381 1.645,382 2.427,384 4.775,385 1.593,386 3.085,387 1.654,388 4.487,389 2.592,390 1.618,391 2.314,393 4.489,394 1.549,395 3.034,396 1.618,397 4.312,398 2.508,399 1.55,400 2.273,402 4.035,403 1.468,404 2.832,405 1.526,406 4.144,407 2.302,408 1.383,409 1.962,411 3.686,412 1.266,413 2.784,414 1.319,415 3.608,416 2.257,417 1.297,418 1.917,420 2.945,421 1.193,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.16,431 0.728,432 3.216,433 1.654,434 0.668,435 0.993,436 1.555,437 0.656,438 1.502,439 0.656,440 3.167,441 1.069,442 0.216,443 0.265,445 0.531,446 0.164,447 1.12,448 0.525,449 2.746,450 0.697,451 -0.204,452 -0.252,454 -0.457,455 -0.172,456 1.087,457 -0.095,458 2.653,459 0.636,460 -0.318,461 -0.424,463 -0.855,464 -0.3,465 13.6,466 0.486,467 0.837,468 0.03,469 43.25,470 1.545,471 25.5,472 0.911,473 17.75,474 0.634,475 18.282,476 0.653,477 28.4,478 0.71,479 33.292,480 1.189,481 8.507,482 0.304,483 4.914,484 0.175,485 0.123,486 0.061,487 0.294,491 1,493 0.482,494 0.966,495 0.637,496 1.037,497 0.611,498 0.762,499 0.584,500 1.022,501 0.737,502 0.952,503 0.568,504 0.908,505 0.976,506 1.054,507 0.972,508 1.066,509 0.939,510 1.045,511 1.223,512 0.981,513 1.289,514 1.185,515 1.201,516 1.152,517 0.909,518 0.741,519 0.786,520 0.812,521 1.079,522 0.854,523 0.608,524 0.925,525 0.849,526 0.913,527 0.501,528 0.951,529 1.141,530 0.872,531 1.546,532 1.066,533 0.923,534 1.042,535 1.271,536 0.847,537 1.407,538 0.984,539 1.193,540 1.014,541 7,542 0.169,543 4.222,544 1.75,545 1.911,546 1.181,547 0.608,548 0.488,549 0.353,550 0.228,551 9957,552 37288,553 2.085,554 30,556 9,558 2,559 1,564 1.711,565 1.942,566 3.48,567 -0.252,569 1,573 79.147,574 1.979,575 3.457,576 4.359,577 5.022,578 5.072,579 5.072,580 2.937,581 4.495,582 4.779,583 3.602,584 1361.46,585 8.312,586 17747.1,588 1,590 1,591 212.877,592 1.572,593 4.728,594 0.226,595 0.008,596 0.094,597 0.038,598 0.049,599 0.031,600 0.016,601 0.015,602 0.012,603 0.009,604 0.499,605 0.33,606 1,607 0.573,608 140.223,609 0.073,610 -0.017,611 0.119,612 -0.082,613 -0.113,614 0.026,615 0.148,616 -0.086,617 -0.028,618 -0.078,619 0.16,620 -0.111,621 -0.11,622 -0.079,623 -0.071,624 -0.076,625 -0.065,626 -0.11,627 -0.247,628 -0.081,629 -0.167,630 -0.11,631 -0.186,632 -0.142,633 0.057,634 0.031,635 0.177,636 0.132,637 -0.035,638 0.157,639 0.283,640 0.005,641 0.106,642 0.031,643 0.362,644 0.017,645 -0.221,646 -0.011,647 -0.232,648 -0.031,649 -0.105,650 -0.017,651 -0.24,652 0.03,653 -0.205,654 0.015,655 -0.181,656 -0.026,657 4.862,658 5.553,659 0.786,660 24.607,661 1.035,662 1.117,663 2.652,664 7.033,665 0.755,666 3.466,667 3.829,668 4.078,669 4.304,670 4.585,671 4.635,672 4.7,673 4.812,674 4.97,675 4.984,676 6.529,677 0.739,678 414.87,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.532,685 9.409,686 10.3,687 11.178,688 12.07,689 10,694 1,699 3,703 2,704 11,705 3,709 6,711 23,730 2,731 40,733 25,734 2,735 31,737 43,738 19,739 19,740 5,741 7,746 4,747 5,748 1,761 19,766 2,769 1,771 2,778 1,779 1,781 12,782 7,783 1,784 9,785 2,790 4,794 0.75,795 2,804 1,805 1,812 4,816 1,840 3,842 1,845 1,846 1,848 28,852 1,855 1,869 2,870 5,873 2,877 14.417,878 7.302,879 5.958,880 2.178,881 4.367,882 1.573,883 1.04,884 4.779,885 11.99,886 3.818,887 4.516,888 5.092,889 5.679,890 6.297,891 6.593,892 6.992,893 7.411,894 7.891,895 8.158,896 0.875,897 46,898 10.61,900 4.958,901 8.138,902 18.987,904 15.822,905 2.638,906 73.861,909 1,910 129.482,911 136.777,912 66.517,913 39.149,914 44.313,915 14.96,916 5.807,917 130.97,918 212.944,919 81.477,922 91.094,923 134.372,924 42.612,925 57.181,926 105.94,928 129.482,929 197.486,930 59.273,931 44.956,933 144.442,934 44.313,937 20.239,938 110.731,939 72.324,940 39.149,941 144.442,942 110.829,943 175.926,945 5.807,946 129.482,947 27.589,948 103.381,949 16.405,950 148.533,951 129.482,952 125.79,953 175.926,955 0.596,956 0.343,957 0.173,958 0.101,959 23,960 10,961 0.093,962 4,963 1,964 1.091,965 3.933,966 247.671,967 0.091,968 22,969 128.606,973 1,974 18.454,975 7.25,976 3.881,977 1.626,978 125.79,979 16.593,980 11.944,984 0.991,986 16.405,987 431.197,988 44.5,991 -3.946,993 25.105,999 41.393,1000 44.692,1001 0.372,1002 0.65,1003 0.819,1004 0.944,1005 0.953,1006 0.953,1007 5.055,1008 1.55,1009 5.911,1010 4.489,1011 4.511,1012 5.204,1014 6.763,1015 4.406,1016 6.322,1017 1.383,1018 7.506,1019 4.035,1020 4.29,1021 5.27,1023 7.941,1024 4.077,1025 7.681,1026 1.297,1027 9.212,1028 3.686,1029 6.196,1030 7.576,1032 10.965,1033 5.984,1034 9.082,1035 1,1036 10.987,1037 2.945,1038 6.77,1039 8.433,1041 12.969,1042 6.437,1043 10.516,1044 0.668,1045 12.807,1046 2.275,1047 8.205,1048 10.259,1050 15.6,1051 7.863,1052 11.974,1053 0.216,1054 14.66,1055 1.555,1056 9.124,1057 11.47,1059 17.918,1060 8.667,1061 13.452,1062 -0.204,1063 16.536,1064 0.531,1065 10.391,1066 13.11,1068 20.449,1069 9.901,1070 3.4,1071 -0.318,1072 18.432,1073 -0.457,1074 11.462,1075 14.486,1077 22.888,1078 10.867,1079 3.017,1080 12.528,1081 20.342,1082 -0.855,1083 12.672,1084 16.051,1086 25.4,1087 12.022,1088 2.798,1089 9.663,1090 22.265,1091 4.709,1092 13.812,1093 17.505,1095 27.887,1096 13.064,1097 2.471,1098 8.891,1099 24.198,1100 4.365,1101 15.007,1102 19.043,1104 30.401,1105 14.188,1106 2.376,1107 7.996,1108 26.139,1109 3.921,1110 16.179,1111 20.534,1113 32.909,1114 15.265,1115 1.645,1116 6.301,1117 28.087,1118 3.398,1119 17.375,1120 22.063,1122 35.428,1123 16.379,1124 1.618,1125 4.775,1126 30.042,1127 3.261,1128 18.564,1129 23.574,1131 37.946,1132 17.474,1133 9411,1134 18399,1135 20.572,1136 30.182,1137 47.094,1138 48.787,1139 48.134,1140 47.01,1141 46.879,1142 66.609,1144 139.339,1145 44.303,1146 5.694,1147 6.686,1148 6.999,1149 5.374,1150 5.4,1151 7.709,1153 19.92,1154 5.101,1155 13.434,1156 1.519,1157 1.574,1158 1.553,1159 1.516,1160 1.512,1161 2.149,1163 4.495,1164 1.429,1165 4.116,1166 4.126,1167 4.738,1168 4.08,1169 8.201,1170 4.034,1171 4.036,1172 4.034,1173 4.059,1174 3.989,1175 7.717,1176 3.951,1177 3.818,1178 3.852,1179 3.915,1180 3.719,1181 6.999,1182 3.727,1183 3.601,1184 3.583,1185 3.719,1186 3.51,1187 5.119,1188 3.444,1189 3.361,1190 3.406,1191 3.436,1192 3.24,1193 5.019,1194 3.238,1195 2.996,1196 3.045,1197 3.138,1198 2.892,1199 4.584,1200 2.887,1201 2.854,1202 2.925,1203 2.855,1204 2.735,1205 4.506,1206 2.715,1207 2.819,1208 2.887,1209 2.731,1210 2.646,1211 4.228,1212 2.653,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.86,1219 0.152,1220 4.686,1222 7.311,1223 0.404,1224 4.319,1225 0.1,1226 3.4,1227 4.709,1229 12.528,1230 3.101,1231 2.043,1232 2.023,1233 2.108,1234 2.129,1235 1.234,1236 2.127,1237 1.952,1238 1.959,1239 1.964,1240 2.028,1241 1.151,1242 2.058,1243 1.773,1244 1.743,1245 1.833,1246 1.896,1247 0.926,1248 1.887,1249 1.426,1250 1.449,1251 1.506,1252 1.589,1253 0.577,1254 1.613,1255 1.31,1256 1.279,1257 1.198,1258 1.468,1259 0.479,1260 1.48,1261 0.96,1262 0.922,1263 1.181,1264 1.128,1265 0.218,1266 1.134,1267 0.886,1268 0.821,1269 1.097,1270 1.062,1271 0.195,1272 1.107,1273 0.765,1274 0.705,1275 0.961,1276 0.993,1277 0.046,1278 0.995,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1290 6.081,1291 13.063,1296 2.403,1305 29.547,1306 79.147,1307 138.294,1308 174.348,1309 200.877,1310 202.877,1311 202.877,1312 59.431,1313 7.623,1314 84.84,1315 93.22,1316 24,1317 12.6,1318 4.7,1319 3.858,1320 42.435,1321 109,1322 114,1323 0.188,1324 187.082,1325 316.55,1326 448.239,1327 21990,1328 5,1329 19.725,1330 0.704,1331 0.562,1332 19.605,1333 15.746,1334 13.421,1335 0.433,1336 0.321,1337 8.127,1338 11.883,1339 7.829,1340 6.458,1341 14.137,1342 9.942,1343 12.838,1344 0.285,1345 0.177,1346 13.887,1347 7.967,1348 10.559,1349 0.182,1350 0.099,1351 11.62,1352 5.737,1353 8.386,1354 0.115,1355 0.054,1356 9.525,1357 3.927,1358 7.192,1359 0.074,1360 0.029,1361 8.416,1362 2.859,1363 0.295,1364 95.566,1365 0.22,1366 26.682,1367 0.519,1368 152,1369 559.914,1370 219.738,1371 571.184,1372 755.48,1373 524,1374 179,1375 502.874,1376 250.447,1377 550.699,1378 798.96,1379 515,1380 5.717}
{0 CHEMBL1914718,1 1.893,2 13.485,3 4.101,4 16.819,5 128.891,6 9.188,7 0.639,8 4.091,9 4.18,10 3.951,11 3.697,12 5.26,13 3.674,14 4.605,15 4.731,16 4.259,17 4.061,18 5.977,19 4.032,20 4.818,21 4.977,22 4.37,23 4.215,24 6.083,25 4.154,26 4.888,27 5.065,28 4.338,29 4.204,30 6.117,31 4.121,32 4.875,33 5.067,34 4.333,35 4.148,36 6.158,37 4.089,38 4.79,39 4.972,40 4.287,41 4.125,42 6.174,43 4.06,44 4.784,45 4.961,46 4.222,47 4.115,48 6.004,49 4.034,50 4.726,51 4.911,52 4.106,53 4.026,54 5.928,55 3.939,56 0.162,57 0.852,58 9.591,59 4.949,60 19.808,61 5.053,62 0.569,63 1.322,64 17.782,65 8.067,66 63.115,67 8.46,68 0.611,69 1.641,70 25.509,71 10.781,72 57.573,73 11.455,74 0.698,75 1.639,76 36.906,77 12.124,78 79.561,79 12.829,80 0.832,81 1.55,82 30.51,83 11.033,84 109.916,85 12.562,86 0.738,87 1.496,88 25.459,89 10.363,90 102.477,91 12.235,92 0.665,93 1.423,94 30.802,95 10.544,96 62.039,97 11.592,98 0.559,99 1.345,100 27.436,101 10.173,102 62.245,103 11.564,104 30,105 51,106 0.309,107 0.633,108 0.796,109 0.878,110 0.878,111 0.878,112 3.532,113 0.983,114 -3.17,115 -3.16,116 -3.04,119 43.4,124 1,125 2,142 9,143 3,144 4,145 2,146 1,147 1,172 8,174 1,175 5,178 2,180 3,183 10,187 8,190 2,192 5,195 10,199 9,202 1,204 5,207 5,211 2,212 9,217 4,220 5,224 6,229 3,232 9,236 2,237 9,240 1,245 8,250 6,253 1,254 1,255 1,258 6,263 2,268 1,271 9,275 1976,276 22.118,277 22.118,278 22.118,279 22.118,280 22.118,281 19.106,282 16.971,283 13.078,284 22.853,285 17.735,286 17.735,287 17.735,288 17.735,289 17.735,290 13.16,291 17.21,292 6.179,293 18.924,294 3.835,295 1.853,296 0.854,297 0.354,298 0.354,299 0.354,300 4.226,302 1,305 1,306 950,307 3.937,311 402.398,315 153.785,318 1.985,319 47.206,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 72.833,331 445,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.86,339 12.528,340 3.104,341 4.547,342 3.196,343 6.55,344 4.085,345 3.101,346 4.481,347 0.4,348 10.383,349 3.045,350 4.262,351 3.099,352 6.206,353 3.819,354 2.864,355 3.937,357 9.24,358 2.748,359 3.87,360 2.874,361 5.887,362 3.455,363 2.513,364 3.401,366 8.093,367 2.342,368 3.81,369 2.674,370 5.202,371 3.322,372 2.381,373 3.292,375 6.303,376 2.212,377 3.487,378 2.303,379 5.14,380 3.064,381 2.11,382 2.873,384 6.242,385 2.008,386 3.085,387 2.097,388 4.734,389 2.592,390 1.645,391 2.318,393 4.775,394 1.547,395 3.039,396 1.986,397 4.421,398 2.529,399 1.618,400 2.277,402 4.271,403 1.475,404 2.833,405 1.653,406 4.156,407 2.508,408 1.554,409 1.967,411 3.698,412 1.459,413 2.798,414 1.53,415 4.101,416 2.306,417 1.383,418 1.93,420 3.487,421 1.287,422 2.681,423 1.36,424 3.634,425 2.278,426 1.31,427 1.693,428 3.088,429 1.201,430 2.5,431 1.278,432 3.414,433 2,434 1.014,435 1.5,436 2.275,437 1,438 2.369,439 1,440 3.374,441 1.95,442 1,443 1.325,445 2.235,446 0.941,447 1.797,448 0.847,449 3.216,450 1.54,451 0.64,452 0.727,454 1.176,455 0.572,456 1.506,457 0.692,458 2.876,459 1.08,460 0.228,461 0.278,463 0.551,464 0.172,465 15.933,466 0.483,467 0.889,468 0.027,469 47.25,470 1.432,471 26,472 0.788,473 21.25,474 0.644,475 25.269,476 0.766,477 35.067,478 0.662,479 39.598,480 1.2,481 9.427,482 0.286,483 6.443,484 0.195,485 0.136,486 0.052,487 0.282,491 1,493 0.602,494 1.151,495 0.67,496 1.106,497 0.624,498 0.86,499 0.831,500 0.992,501 0.771,502 0.86,503 0.608,504 0.84,505 0.93,506 1.05,507 0.916,508 0.986,509 0.903,510 0.959,511 1.029,512 1.002,513 1.117,514 1.109,515 1.078,516 1.064,517 0.77,518 0.817,519 0.729,520 0.84,521 0.913,522 0.88,523 0.617,524 0.929,525 0.756,526 0.887,527 0.442,528 0.921,529 0.993,530 0.861,531 1.274,532 1.014,533 0.791,534 1.036,535 0.926,536 0.972,537 1.097,538 1.046,539 0.906,540 1.089,541 7.5,542 0.272,543 4.667,544 2.063,545 2.102,546 1.472,547 0.77,548 0.622,549 0.463,550 0.329,551 15222,552 52477,553 2.054,554 37.7,556 16,558 2,559 2,564 1.754,565 1.913,566 3.694,567 0.252,573 100.344,574 1.893,575 3.874,576 4.874,577 5.374,578 5.374,579 5.374,580 3.195,581 4.718,582 5.012,583 3.825,584 2019.67,585 8.789,586 30147.2,591 303.58,592 1.554,593 4.964,594 0.208,595 0.009,596 0.092,597 0.038,598 0.043,599 0.03,600 0.016,601 0.014,602 0.012,603 0.009,604 0.47,605 0.33,606 0.88,607 1.177,608 175.401,609 0.012,610 -0.114,611 0.122,612 -0.081,613 -0.115,614 0.02,615 0.037,616 -0.005,617 0.013,618 0.077,619 0.141,620 0.042,621 -0.067,622 -0.022,623 -0.016,624 0.009,625 -0.031,626 -0.018,627 -0.138,628 -0.064,629 -0.074,630 -0.076,631 -0.112,632 -0.083,633 0.075,634 0.007,635 0.158,636 0.069,637 0.02,638 0.096,639 0.2,640 0.001,641 0.131,642 0.043,643 0.311,644 0.059,645 -0.115,646 0.033,647 -0.153,648 -0.035,649 -0.062,650 -0.063,651 -0.078,652 -0.108,653 -0.075,654 -0.088,655 -0.075,656 -0.092,657 4.895,658 5.711,659 0.667,660 35.761,661 1.024,662 1.124,663 1.941,664 3.767,665 0.711,666 3.611,667 3.951,668 4.205,669 4.443,670 4.727,671 4.82,672 4.913,673 5.037,674 5.209,675 5.278,676 7.528,677 0.686,678 486.99,679 3.611,680 5.165,681 6.014,682 6.899,683 7.77,684 8.661,685 9.541,686 10.435,687 11.319,688 12.215,689 7.5,694 2,699 2,703 2,704 11,705 2,709 7,711 23,724 1,730 2,731 53,733 25,734 2,735 36,737 56,738 23,739 20,740 5,741 7,746 4,747 5,748 1,761 20,762 3,766 2,769 1,771 2,779 1,781 20,782 8,783 2,784 10,785 2,790 4,794 0.75,795 3,805 2,812 4,816 1,839 1,840 3,842 1,844 1,845 1,846 1,848 33,852 1,854 2,855 2,856 1,869 2,870 5.7,873 2,874 1,877 17.25,878 9.769,879 7.236,880 2.888,881 4.417,882 1.548,883 1.01,884 6.985,885 12.475,886 3.922,887 4.59,888 5.168,889 5.762,890 6.381,891 6.715,892 7.129,893 7.556,894 8.048,895 8.369,896 1,897 54,898 12.493,900 5.673,901 8.031,902 22.691,904 18.576,905 2.531,906 83.528,910 211.88,911 157.115,912 67.987,913 39.149,914 55.313,915 14.96,916 5.807,917 151.307,918 306.341,919 82.947,920 10.883,921 6.698,922 91.094,923 146.842,924 45.368,925 57.181,926 188.338,928 211.88,929 219.294,930 70.273,931 44.956,933 226.84,934 44.313,935 11,937 26.937,938 124.37,939 73.794,940 39.149,941 226.84,942 123.3,943 196.264,945 5.807,946 211.88,947 37.043,948 114.264,949 34.416,950 142.993,951 211.88,952 138.26,953 196.264,955 0.583,956 0.335,957 0.172,958 0.102,959 24,960 11,961 0.143,962 8,963 1,964 1.091,965 4.319,966 306.131,967 0.091,968 22,969 160.465,973 1,974 23.243,975 9.917,976 5.358,977 1.704,978 138.26,979 16.973,980 8.54,984 1.85,986 34.416,987 546.403,988 49.5,991 -3.979,993 25.422,999 54.254,1000 59.562,1001 0.331,1002 0.676,1003 0.851,1004 0.938,1005 0.938,1006 0.938,1007 5.158,1008 1.618,1009 6.028,1010 4.775,1011 4.635,1012 5.278,1013 1.029,1014 6.876,1015 4.52,1016 6.408,1017 1.554,1018 7.618,1019 4.271,1020 4.369,1021 5.338,1023 8.038,1024 4.164,1025 7.761,1026 1.383,1027 9.321,1028 3.698,1029 6.304,1030 7.634,1031 0.763,1032 11.081,1033 6.087,1034 9.157,1035 1.31,1036 11.095,1037 3.487,1038 6.858,1039 8.505,1041 13.076,1042 6.54,1043 10.59,1044 1.014,1045 12.914,1046 3.088,1047 8.304,1048 10.322,1049 0.597,1050 15.713,1051 7.969,1052 12.047,1053 1,1054 14.766,1055 2.275,1056 9.216,1057 11.548,1059 18.021,1060 8.783,1061 13.525,1062 0.64,1063 16.642,1064 2.235,1065 10.486,1066 13.184,1067 0.47,1068 20.549,1069 10.018,1070 3.4,1071 0.228,1072 18.536,1073 1.176,1074 11.556,1075 14.571,1077 22.977,1078 10.997,1079 3.101,1080 12.528,1081 20.444,1082 0.551,1083 12.766,1084 16.137,1085 0.367,1086 25.483,1087 12.155,1088 2.864,1089 10.383,1090 22.364,1091 4.71,1092 13.905,1093 17.599,1095 27.96,1096 13.208,1097 2.513,1098 9.24,1099 24.294,1100 4.481,1101 15.099,1102 19.139,1103 0.283,1104 30.466,1105 14.338,1106 2.381,1107 8.093,1108 26.232,1109 3.937,1110 16.27,1111 20.636,1113 32.966,1114 15.425,1115 2.11,1116 6.303,1117 28.176,1118 3.401,1119 17.463,1120 22.168,1121 0.217,1122 35.477,1123 16.544,1124 1.645,1125 6.242,1126 30.127,1127 3.292,1128 18.65,1129 23.682,1131 37.988,1132 17.647,1133 14676,1134 27517,1135 23.75,1136 37.682,1137 53.64,1138 55.707,1139 55.447,1140 53.609,1141 53.522,1142 73.421,1143 2.52,1144 156.69,1145 50.229,1146 5.703,1147 6.686,1148 7.221,1149 5.375,1150 5.4,1151 7.71,1152 1.72,1153 19.92,1154 5.104,1155 17.32,1156 1.49,1157 1.547,1158 1.54,1159 1.489,1160 1.487,1161 2.039,1162 0.07,1163 4.352,1164 1.395,1165 4.127,1166 4.141,1167 4.738,1168 4.086,1169 8.201,1170 4.052,1171 4.048,1172 4.039,1173 4.076,1174 4.009,1175 7.717,1176 3.959,1177 3.831,1178 3.864,1179 3.928,1180 3.737,1181 6.999,1182 3.744,1183 3.618,1184 3.657,1185 3.719,1186 3.518,1187 5.062,1188 3.462,1189 3.577,1190 3.579,1191 3.507,1192 3.388,1193 4.962,1194 3.381,1195 3.391,1196 3.428,1197 3.385,1198 3.253,1199 4.638,1200 3.253,1201 3.159,1202 3.249,1203 3.16,1204 2.918,1205 4.583,1206 2.923,1207 2.97,1208 3.031,1209 2.977,1210 2.828,1211 4.442,1212 2.812,1213 0.135,1214 0.13,1215 0.203,1216 0.12,1217 0.094,1218 4.86,1219 0.131,1220 4.686,1221 0.024,1222 7.311,1223 0.348,1224 4.319,1225 0.086,1226 3.4,1227 4.71,1228 0.86,1229 12.528,1230 3.104,1231 2.061,1232 2.041,1233 2.123,1234 2.143,1235 1.267,1236 2.141,1237 1.954,1238 1.963,1239 1.965,1240 2.031,1241 1.155,1242 2.062,1243 1.79,1244 1.761,1245 1.864,1246 1.909,1247 1.034,1248 1.904,1249 1.542,1250 1.495,1251 1.776,1252 1.789,1253 0.931,1254 1.789,1255 1.43,1256 1.433,1257 1.571,1258 1.598,1259 0.641,1260 1.622,1261 1.34,1262 1.319,1263 1.502,1264 1.507,1265 0.559,1266 1.527,1267 1.125,1268 1.032,1269 1.203,1270 1.417,1271 0.501,1272 1.446,1273 0.965,1274 0.913,1275 1.181,1276 1.139,1277 0.237,1278 1.158,1279 4.29,1281 5.624,1283 7.159,1285 8.785,1287 10.458,1289 1.639,1290 6.164,1291 13.171,1295 1.194,1296 5.753,1297 5.097,1305 36.369,1306 100.344,1307 205.345,1308 258.296,1309 284.825,1310 284.825,1311 284.825,1312 76.715,1313 8.058,1314 93.21,1315 101.59,1316 24,1317 12.743,1318 4.7,1319 3.858,1320 54.334,1321 148,1322 173,1323 0.178,1324 229.447,1325 394.54,1326 551.611,1327 38445,1328 3.8,1329 23.424,1330 0.71,1331 0.579,1332 23.304,1333 19.121,1334 15.869,1335 0.441,1336 0.328,1337 9.923,1338 14.168,1339 9.552,1340 7.901,1341 16.585,1342 11.792,1343 14.644,1344 0.287,1345 0.18,1346 15.693,1347 9.172,1348 12.001,1349 0.182,1350 0.1,1351 13.062,1352 6.586,1353 9.586,1354 0.114,1355 0.054,1356 10.724,1357 4.527,1358 8.168,1359 0.073,1360 0.029,1361 9.393,1362 3.283,1363 0.281,1364 111.419,1365 0.205,1366 30.707,1367 0.483,1368 174,1369 622.337,1370 244.285,1371 624.587,1372 824.55,1373 576,1374 204,1375 540.646,1376 277.746,1377 591.816,1378 861.02,1379 552,1380 5.991}
{0 CHEMBL1914719,1 1.877,2 11.71,3 4.586,4 21.027,5 122.083,6 9.326,7 0.676,8 4.013,9 4.102,10 3.898,11 3.649,12 5.187,13 3.618,14 4.52,15 4.655,16 4.228,17 4.024,18 5.913,19 3.993,20 4.737,21 4.876,22 4.346,23 4.197,24 6.033,25 4.135,26 4.86,27 5.038,28 4.316,29 4.195,30 6.094,31 4.106,32 4.83,33 5.016,34 4.287,35 4.123,36 6.133,37 4.052,38 4.738,39 4.944,40 4.183,41 4.05,42 6.119,43 3.966,44 4.626,45 4.805,46 4.096,47 3.993,48 5.855,49 3.899,50 4.56,51 4.741,52 3.993,53 3.884,54 5.808,55 3.795,56 0.129,57 0.8,58 8.53,59 4.487,60 16.3,61 4.585,62 0.461,63 1.26,64 15.823,65 7.151,66 51.99,67 7.712,68 0.435,69 1.555,70 20.879,71 9.909,72 45.778,73 10.257,74 0.63,75 1.611,76 35.824,77 11.946,78 74.917,79 12.537,80 0.735,81 1.501,82 27.793,83 10.799,84 101.951,85 12.144,86 0.715,87 1.443,88 25.539,89 9.856,90 103.245,91 11.795,92 0.495,93 1.245,94 27.267,95 9.283,96 51.299,97 10.173,98 0.448,99 1.165,100 23.54,101 8.648,102 53.262,103 9.599,104 38,105 50,106 0.311,107 0.612,108 0.748,109 0.838,110 0.838,111 0.838,112 3.472,113 0.98,114 -3.72,115 -3.69,116 -3.51,119 44.9,124 2,142 9,143 3,144 4,145 2,146 1,147 1,172 8,174 1,175 7,178 2,180 1,183 10,187 9,190 1,192 4,195 10,198 1,199 11,204 3,207 5,211 2,212 9,217 2,220 5,224 6,229 2,232 9,236 2,237 7,245 8,250 4,253 2,255 1,258 6,263 2,271 9,275 1554,276 20.333,277 20.333,278 20.333,279 20.333,280 20.333,281 17.346,282 14.115,283 11.604,284 20.914,285 16.743,286 16.743,287 16.743,288 16.743,289 16.743,290 12.183,291 13.463,292 5.473,293 17.776,294 3.738,295 1.92,296 1.103,297 0.561,298 0.561,299 0.561,300 4.163,302 1,304 1,305 1,306 782,307 3.808,311 372.06,315 141.314,318 1.848,319 42.124,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 67.833,331 363,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.8,339 12.528,340 3.108,341 4.569,342 3.234,343 6.666,344 4.12,345 3.142,346 4.493,348 10.717,349 3.067,350 4.27,351 3.163,352 6.222,353 3.841,354 2.885,355 3.939,357 9.297,358 2.769,359 3.884,360 2.874,361 5.901,362 3.481,363 2.545,364 3.402,366 8.134,367 2.358,368 3.816,369 2.743,370 5.551,371 3.33,372 2.386,373 3.304,375 6.981,376 2.234,377 3.605,378 2.432,379 5.14,380 3.219,381 2.278,382 2.971,384 6.301,385 2.128,386 3.085,387 1.987,388 4.734,389 2.592,390 1.645,391 2.318,393 4.775,394 1.547,395 3.04,396 1.654,397 4.463,398 2.512,399 1.556,400 2.278,402 4.316,403 1.473,404 2.835,405 1.564,406 4.287,407 2.398,408 1.434,409 1.974,411 3.757,412 1.378,413 2.811,414 1.523,415 4.143,416 2.301,417 1.383,418 1.938,420 3.664,421 1.265,422 2.694,423 1.321,424 3.754,425 2.256,426 1.289,427 1.747,428 3.018,429 1.195,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.128,439 0.788,440 3.285,441 1.68,442 0.718,443 0.995,445 1.733,446 0.688,447 1.505,448 0.684,449 3.216,450 1.074,451 0.222,452 0.272,454 0.544,455 0.167,456 1.137,457 0.543,458 2.77,459 0.739,460 -0.192,461 -0.239,463 -0.446,464 -0.166,465 15.1,466 0.487,467 1.016,468 0.033,469 46,470 1.484,471 26,472 0.839,473 20,474 0.645,475 23.121,476 0.746,477 32.3,478 0.659,479 37.898,480 1.223,481 9.066,482 0.292,483 5.676,484 0.183,485 0.177,486 0.055,487 0.325,491 1,493 0.525,494 1.166,495 0.659,496 1.099,497 0.614,498 0.852,499 0.66,500 0.912,501 0.704,502 0.786,503 0.541,504 0.74,505 0.941,506 1.116,507 0.933,508 1.082,509 0.908,510 1.042,511 1.048,512 0.95,513 1.101,514 1.093,515 1.044,516 1.057,517 0.752,518 0.877,519 0.748,520 0.927,521 0.896,522 0.988,523 0.586,524 0.84,525 0.771,526 0.821,527 0.439,528 0.895,529 0.993,530 0.869,531 1.337,532 1.043,533 0.817,534 1.042,535 1.004,536 0.984,537 1.164,538 1.06,539 0.99,540 1.087,541 8,542 0.268,543 4.889,544 2.313,545 2.222,546 1.535,547 0.811,548 0.566,549 0.447,550 0.339,551 12584,552 42459,553 2.038,554 36.7,556 15,558 2,559 1,564 1.738,565 1.869,566 3.519,567 -0.297,573 91.955,574 1.877,575 3.694,576 4.512,577 5.053,578 5.053,579 5.053,580 2.967,581 4.632,582 4.927,583 3.682,584 1712.19,585 8.613,586 24047.2,591 275.121,592 1.663,593 4.859,594 0.235,595 0.01,596 0.098,597 0.044,598 0.046,599 0.033,600 0.019,601 0.015,602 0.013,603 0.011,604 0.523,605 0.33,606 1,607 0.778,608 160.431,609 0.043,610 -0.156,611 0.129,612 -0.103,613 -0.124,614 0.005,615 0.122,616 0.083,617 0.068,618 0.124,619 0.186,620 0.125,621 -0.082,622 -0.098,623 -0.068,624 -0.101,625 -0.045,626 -0.131,627 -0.132,628 -0.041,629 -0.068,630 -0.066,631 -0.108,632 -0.073,633 0.108,634 -0.083,635 0.123,636 -0.018,637 0.016,638 -0.011,639 0.229,640 0.071,641 0.143,642 0.106,643 0.309,644 0.104,645 -0.124,646 0.013,647 -0.154,648 -0.046,649 -0.059,650 -0.055,651 -0.088,652 -0.122,653 -0.09,654 -0.094,655 -0.099,656 -0.099,657 4.879,658 5.674,659 0.71,660 29.036,661 1.021,662 1.121,663 2.491,664 6.203,665 0.724,666 3.555,667 3.932,668 4.19,669 4.431,670 4.71,671 4.787,672 4.875,673 4.977,674 5.147,675 5.226,676 6.931,677 0.696,678 456.96,679 3.555,680 5.13,681 5.989,682 6.887,683 7.765,684 8.664,685 9.548,686 10.448,687 11.335,688 12.235,689 8.2,694 1,695 1,699 2,703 2,704 11,705 2,709 7,711 23,726 1,730 2,731 49,733 25,734 2,735 34,737 52,738 22,739 20,740 5,741 7,746 4,747 5,748 1,761 20,762 2,766 2,769 1,771 2,778 1,779 1,781 18,782 7,783 1,784 9,785 2,790 4,794 0.75,795 2,805 2,812 4,816 1,840 3,842 1,844 2,845 1,846 1,848 31,852 1,855 1,859 1,869 2,870 4.1,873 2,877 16.583,878 9.552,879 6.597,880 2.651,881 4.403,882 1.557,883 1.021,884 5.739,885 12.308,886 3.882,887 4.58,888 5.168,889 5.768,890 6.386,891 6.715,892 7.133,893 7.547,894 8.037,895 8.367,896 0.875,897 53,898 11.745,900 5.394,901 8.033,902 21.305,904 17.636,905 2.533,906 78.528,909 1,910 200.109,911 156.327,912 53.1,913 39.149,914 44.313,915 14.96,916 5.807,917 150.519,918 283.57,919 68.06,920 16.793,922 91.094,923 117.831,924 48.493,925 57.181,926 176.567,928 200.109,929 203.619,930 59.273,931 44.956,933 215.069,934 44.313,937 20.239,938 133.404,939 55.783,940 39.149,941 215.069,942 97.413,943 195.475,945 5.807,946 200.109,947 30.345,948 123.298,949 16.405,950 131.993,951 200.109,952 112.373,953 195.475,955 0.6,956 0.347,957 0.176,958 0.103,959 25,960 12,961 0.096,962 5,963 1,964 1.091,965 4.079,966 287.27,967 0.091,968 22,969 145.58,973 1,974 21.353,975 8.332,976 4.434,977 1.794,978 112.373,979 17.149,980 8.535,984 2.039,986 16.405,987 507.957,988 47.5,991 -3.962,993 25.347,999 50.043,1000 54.937,1001 0.334,1002 0.658,1003 0.804,1004 0.9,1005 0.9,1006 0.9,1007 5.134,1008 1.556,1009 6.028,1010 4.775,1011 4.615,1012 5.268,1013 0.673,1014 6.899,1015 4.504,1016 6.405,1017 1.434,1018 7.638,1019 4.316,1020 4.443,1021 5.366,1022 0.325,1023 8.091,1024 4.23,1025 7.767,1026 1.383,1027 9.356,1028 3.757,1029 6.315,1030 7.639,1031 0.379,1032 11.131,1033 6.098,1034 9.171,1035 1.289,1036 11.139,1037 3.664,1038 6.919,1039 8.522,1040 0.268,1041 13.13,1042 6.593,1043 10.608,1044 1,1045 12.965,1046 3.018,1047 8.337,1048 10.331,1049 0.239,1050 15.769,1051 7.998,1052 12.068,1053 0.718,1054 14.821,1055 2.275,1056 9.271,1057 11.561,1058 0.188,1059 18.075,1060 8.833,1061 13.548,1062 0.222,1063 16.699,1064 1.733,1065 10.53,1066 13.195,1067 0.156,1068 20.604,1069 10.059,1070 3.4,1071 -0.192,1072 18.594,1073 0.544,1074 11.608,1075 14.584,1076 0.125,1077 23.03,1078 11.048,1079 3.142,1080 12.528,1081 20.503,1082 -0.446,1083 12.815,1084 16.149,1085 0.102,1086 25.534,1087 12.204,1088 2.885,1089 10.717,1090 22.423,1091 4.71,1092 13.956,1093 17.612,1094 0.082,1095 28.008,1096 13.262,1097 2.545,1098 9.297,1099 24.352,1100 4.493,1101 15.149,1102 19.152,1103 0.066,1104 30.511,1105 14.392,1106 2.386,1107 8.134,1108 26.288,1109 3.939,1110 16.32,1111 20.649,1112 0.054,1113 33.007,1114 15.483,1115 2.278,1116 6.981,1117 28.232,1118 3.402,1119 17.513,1120 22.181,1121 0.043,1122 35.515,1123 16.605,1124 1.645,1125 6.301,1126 30.18,1127 3.304,1128 18.699,1129 23.696,1130 0.035,1131 38.022,1132 17.711,1133 12069,1134 22441,1135 22.076,1136 35.466,1137 52.086,1138 53.668,1139 53.827,1140 51.891,1141 51.765,1142 71.681,1143 1.6,1144 156.079,1145 48.752,1146 5.694,1147 6.686,1148 6.841,1149 5.375,1150 5.4,1151 7.71,1152 1.2,1153 19.921,1154 5.108,1155 17.923,1156 1.532,1157 1.578,1158 1.583,1159 1.526,1160 1.523,1161 2.108,1162 0.047,1163 4.591,1164 1.434,1165 4.127,1166 4.142,1167 4.738,1168 4.086,1169 8.201,1170 4.054,1171 4.049,1172 4.04,1173 4.077,1174 4.01,1175 7.717,1176 3.959,1177 3.832,1178 3.865,1179 3.93,1180 3.738,1181 6.999,1182 3.745,1183 3.612,1184 3.627,1185 3.719,1186 3.519,1187 5.06,1188 3.461,1189 3.515,1190 3.556,1191 3.5,1192 3.368,1193 4.957,1194 3.356,1195 3.319,1196 3.379,1197 3.288,1198 3.131,1199 4.584,1200 3.133,1201 2.958,1202 3.009,1203 3.105,1204 2.863,1205 4.444,1206 2.85,1207 2.874,1208 3.007,1209 2.797,1210 2.735,1211 4.276,1212 2.718,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.024,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.71,1228 0.8,1229 12.528,1230 3.108,1231 2.063,1232 2.042,1233 2.125,1234 2.145,1235 1.271,1236 2.143,1237 1.954,1238 1.963,1239 1.965,1240 2.032,1241 1.155,1242 2.062,1243 1.792,1244 1.763,1245 1.866,1246 1.91,1247 0.972,1248 1.905,1249 1.514,1250 1.482,1251 1.735,1252 1.727,1253 0.809,1254 1.74,1255 1.395,1256 1.394,1257 1.524,1258 1.577,1259 0.597,1260 1.605,1261 1.29,1262 1.224,1263 1.417,1264 1.459,1265 0.495,1266 1.48,1267 0.948,1268 0.904,1269 1.196,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.821,1275 1.181,1276 1.099,1277 0.225,1278 1.123,1279 4.234,1281 5.595,1283 7.151,1285 8.792,1287 10.476,1289 3.904,1290 6.15,1291 13.142,1296 2.434,1300 1.996,1305 34.128,1306 91.955,1307 181.028,1308 221.082,1309 247.611,1310 247.611,1311 247.611,1312 69.236,1313 7.905,1314 75.19,1315 83.57,1316 24,1317 12.759,1318 4.7,1319 3.858,1320 49.402,1321 130,1322 137,1323 0.186,1324 215.859,1325 368.45,1326 518.455,1327 30975,1328 4.1,1329 22.173,1330 0.715,1331 0.589,1332 22.053,1333 18.246,1334 14.742,1335 0.434,1336 0.327,1337 9.271,1338 13.163,1339 8.836,1340 7.353,1341 15.458,1342 11.11,1343 14.296,1344 0.286,1345 0.182,1346 15.345,1347 9.119,1348 11.586,1349 0.178,1350 0.099,1351 12.647,1352 6.424,1353 9.319,1354 0.112,1355 0.054,1356 10.457,1357 4.46,1358 7.923,1359 0.072,1360 0.029,1361 9.147,1362 3.207,1363 0.292,1364 103.738,1365 0.213,1366 28.94,1367 0.513,1368 168,1369 577.914,1370 236.099,1371 589.956,1372 783.43,1373 542,1374 199,1375 522.342,1376 271.197,1377 575.424,1378 837.4,1379 536,1380 6.652}
{0 CHEMBL1914720,1 1.804,2 13,3 5.503,4 30.28,5 134.224,6 8.876,7 0.605,8 4.144,9 4.238,10 3.982,11 3.783,12 5.241,13 3.745,14 4.693,15 4.832,16 4.318,17 4.184,18 5.987,19 4.135,20 4.979,21 5.169,22 4.425,23 4.349,24 6.128,25 4.266,26 5.01,27 5.205,28 4.392,29 4.329,30 6.158,31 4.229,32 4.972,33 5.163,34 4.398,35 4.289,36 6.195,37 4.212,38 4.923,39 5.12,40 4.333,41 4.272,42 6.219,43 4.18,44 4.897,45 5.101,46 4.233,47 4.224,48 6.015,49 4.113,50 4.783,51 4.981,52 4.117,53 4.097,54 5.925,55 3.993,56 0.113,57 0.899,58 10.815,59 5.295,60 19.104,61 5.826,62 0.419,63 1.475,64 19.508,65 8.898,66 57.954,67 10.327,68 0.5,69 1.897,70 32.655,71 13.043,72 61.364,73 15.114,74 0.61,75 1.851,76 42.287,77 13.942,78 79.609,79 15.703,80 0.707,81 1.726,82 33.406,83 12.667,84 104.26,85 15.068,86 0.655,87 1.736,88 29.617,89 12.008,90 105.76,91 14.938,92 0.529,93 1.619,94 35.694,95 12.162,96 63.025,97 14.45,98 0.445,99 1.443,100 29.926,101 10.927,102 59.378,103 12.991,104 17,105 55,106 0.291,107 0.601,108 0.752,109 0.845,110 0.845,111 0.845,112 3.561,113 1.014,114 -4.34,115 -4.27,116 -4.03,119 44.6,121 3,125 2,142 9,143 3,144 4,145 2,146 1,147 1,172 10,174 1,175 9,178 2,180 1,183 11,187 10,190 1,192 4,195 10,198 1,199 11,204 3,207 9,211 2,212 9,217 2,220 9,224 8,229 2,232 14,236 2,237 8,245 14,250 4,253 2,255 1,258 10,263 4,271 10,275 2048,276 22.902,277 22.902,278 22.902,279 22.902,280 22.902,281 19.915,282 17.278,283 13.325,284 23.483,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 14.217,291 16.999,292 6.338,293 19.819,294 4.004,295 2.081,296 1.144,297 0.571,298 0.571,299 0.571,300 4.267,302 1,305 1,306 974,307 3.464,311 503.033,315 152.202,318 1.882,319 44.079,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.833,331 442,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.8,339 12.528,340 3.111,341 4.576,342 3.277,343 6.71,344 4.137,345 3.162,346 4.495,348 10.921,349 3.075,350 4.272,351 3.174,352 6.23,353 3.853,354 2.896,355 3.94,357 9.338,358 2.782,359 3.896,360 2.874,361 5.918,362 3.523,363 2.59,364 3.403,366 8.22,367 2.399,368 3.82,369 2.799,370 5.72,371 3.364,372 2.411,373 3.309,375 7.626,376 2.288,377 3.674,378 2.52,379 5.14,380 3.301,381 2.364,382 3.012,384 6.301,385 2.184,386 3.085,387 1.988,388 4.734,389 2.794,390 1.809,391 2.319,393 4.824,394 1.78,395 3.062,396 1.847,397 4.685,398 2.592,399 1.645,400 2.279,402 4.773,403 1.547,404 3.031,405 1.653,406 4.398,407 2.51,408 1.555,409 2.149,411 4.213,412 1.471,413 2.832,414 1.53,415 4.148,416 2.318,417 1.383,418 1.962,420 3.693,421 1.308,422 2.79,423 1.376,424 4.016,425 2.293,426 1.332,427 1.92,428 3.358,429 1.232,430 2.5,431 1.304,432 3.547,433 2.223,434 1.252,435 1.5,436 2.82,437 1.189,438 2.461,439 1.077,440 3.414,441 2,442 1,443 1.453,445 2.275,446 1,447 2.102,448 1,449 3.317,450 1.984,451 1,452 1,454 2.136,455 0.983,456 2,457 0.802,458 3.247,459 1.71,460 0.743,461 0.996,463 1.842,464 0.716,465 16.6,466 0.488,467 0.94,468 0.028,469 48,470 1.412,471 26,472 0.765,473 22,474 0.647,475 28.496,476 0.838,477 35.6,478 0.636,479 38.915,480 1.145,481 8.974,482 0.264,483 7.43,484 0.219,485 0.1,486 0.05,487 0.295,491 1,493 0.512,494 1.151,495 0.665,496 1.082,497 0.576,498 0.866,499 0.606,500 1.044,501 0.741,502 0.937,503 0.499,504 0.919,505 0.867,506 0.999,507 0.846,508 0.951,509 0.772,510 0.932,511 1.016,512 0.923,513 1.051,514 1.04,515 0.983,516 1.009,517 0.718,518 0.847,519 0.714,520 0.88,521 0.854,522 0.92,523 0.535,524 0.93,525 0.772,526 0.912,527 0.412,528 0.983,529 0.902,530 0.852,531 1.198,532 0.992,533 0.723,534 1.026,535 0.917,536 0.941,537 1.077,538 1.015,539 0.887,540 1.056,541 7.5,542 0.301,543 4.889,544 2.25,545 2.093,546 1.465,547 0.849,548 0.575,549 0.402,550 0.331,551 17118,552 51321,553 2.12,554 39.3,555 2,556 13,558 2,559 1,561 4,564 1.761,565 1.99,566 3.658,567 -0.334,573 101.008,574 1.804,575 3.726,576 4.664,577 5.236,578 5.236,579 5.236,580 3.1,581 4.418,582 5.06,583 3.794,584 2128.68,585 8.88,586 32039.4,591 325.212,592 1.501,593 5.017,594 0.197,595 0.009,596 0.089,597 0.039,598 0.039,599 0.027,600 0.016,601 0.012,602 0.01,603 0.009,604 0.448,605 0.17,606 0.75,607 0.513,608 181.515,609 0.052,610 -0.126,611 0.131,612 -0.075,613 -0.084,614 0.02,615 0.143,616 -0.052,617 0.024,618 -0.021,619 0.197,620 -0.03,621 -0.035,622 -0.019,623 0.047,624 0.027,625 0.026,626 0.036,627 -0.106,628 -0.006,629 -0.029,630 -0.023,631 -0.068,632 -0.023,633 0.125,634 -0.03,635 0.145,636 0.034,637 0.04,638 0.053,639 0.226,640 -0.008,641 0.086,642 0.005,643 0.286,644 -0.007,645 -0.09,646 0.029,647 -0.101,648 -0.021,649 -0.035,650 -0.033,651 -0.056,652 -0.075,653 -0.057,654 -0.059,655 -0.061,656 -0.065,657 4.882,658 5.774,659 0.824,660 34.824,661 1.014,662 1.121,663 3.109,664 9.664,665 0.714,666 3.664,667 4.025,668 4.304,669 4.564,670 4.86,671 4.942,672 5.069,673 5.209,674 5.384,675 5.481,676 7.436,677 0.682,678 497.03,679 3.664,680 5.231,681 6.094,682 6.987,683 7.868,684 8.766,685 9.653,686 10.552,687 11.443,688 12.343,689 7.1,694 1,695 1,699 2,703 2,704 11,705 2,709 7,711 23,726 1,730 2,731 56,733 25,734 2,735 38,737 60,738 25,739 20,740 5,741 7,746 5,747 6,748 1,755 3,758 3,761 20,762 5,766 2,769 1,771 2,779 1,781 22,782 7,783 1,784 9,785 2,790 4,794 0.8,795 2,805 2,812 5,816 1,840 4,842 1,845 1,846 1,848 34,852 1,854 5,855 1,859 1,869 2,870 3.6,873 2,877 17.083,878 10.052,879 7.264,880 3.451,881 4.442,882 1.528,883 1.037,884 6.328,885 12.854,886 3.961,887 4.63,888 5.212,889 5.81,890 6.431,891 6.773,892 7.205,893 7.64,894 8.131,895 8.475,896 0.889,897 58,898 12.917,900 5.977,901 7.913,902 23.973,904 20.458,905 2.413,906 82.028,910 247.193,911 151.349,912 53.1,913 39.149,914 44.313,915 14.96,916 5.807,917 145.541,918 330.655,919 68.06,921 11.815,922 91.094,923 117.831,924 48.493,925 57.181,926 223.651,928 247.193,929 198.642,930 59.273,931 44.956,933 215.069,934 91.397,937 32.054,938 116.612,939 55.783,940 39.149,941 262.153,942 97.413,943 190.497,945 5.807,946 247.193,947 42.16,948 106.505,949 16.405,950 131.993,951 247.193,952 112.373,953 190.497,955 0.592,956 0.345,957 0.181,958 0.107,959 28,960 12,961 0.083,962 5,963 1,964 1.071,965 4.413,966 332.337,967 0.071,968 28,969 162.974,973 1,974 22.887,975 9.4,976 4.849,977 1.927,978 112.373,979 17.635,980 8.702,984 2.29,986 16.405,987 550.064,988 51.5,991 -3.965,993 25.547,999 56.811,1000 62.768,1001 0.311,1002 0.642,1003 0.803,1004 0.902,1005 0.902,1006 0.902,1007 5.214,1008 1.645,1009 6.111,1010 4.824,1011 4.71,1012 5.318,1013 0.673,1014 6.971,1015 4.605,1016 6.459,1017 1.555,1018 7.707,1019 4.773,1020 4.443,1021 5.366,1022 0.325,1023 8.127,1024 4.23,1025 7.811,1026 1.383,1027 9.413,1028 4.213,1029 6.389,1030 7.659,1031 0.379,1032 11.186,1033 6.176,1034 9.205,1035 1.332,1036 11.188,1037 3.693,1038 6.938,1039 8.526,1040 0.268,1041 13.174,1042 6.611,1043 10.636,1044 1.252,1045 13.009,1046 3.358,1047 8.392,1048 10.339,1049 0.239,1050 15.818,1051 8.055,1052 12.092,1053 1,1054 14.861,1055 2.82,1056 9.3,1057 11.564,1058 0.188,1059 18.119,1060 8.859,1061 13.568,1062 1,1063 16.736,1064 2.275,1065 10.574,1066 13.199,1067 0.156,1068 20.648,1069 10.103,1070 3.4,1071 0.743,1072 18.63,1073 2.136,1074 11.64,1075 14.586,1076 0.125,1077 23.07,1078 11.077,1079 3.162,1080 12.528,1081 20.537,1082 1.842,1083 12.852,1084 16.152,1085 0.102,1086 25.573,1087 12.24,1088 2.896,1089 10.921,1090 22.455,1091 4.71,1092 13.988,1093 17.614,1094 0.082,1095 28.045,1096 13.292,1097 2.59,1098 9.338,1099 24.383,1100 4.495,1101 15.183,1102 19.154,1103 0.066,1104 30.546,1105 14.426,1106 2.411,1107 8.22,1108 26.318,1109 3.94,1110 16.351,1111 20.651,1112 0.054,1113 33.04,1114 15.514,1115 2.364,1116 7.626,1117 28.26,1118 3.403,1119 17.544,1120 22.183,1121 0.043,1122 35.546,1123 16.637,1124 1.809,1125 6.301,1126 30.208,1127 3.309,1128 18.729,1129 23.698,1130 0.035,1131 38.051,1132 17.743,1133 15955,1134 28008,1135 25.542,1136 39.989,1137 57.57,1138 59.458,1139 58.876,1140 57.679,1141 57.533,1142 77.443,1143 1.6,1144 170.833,1145 54.463,1146 5.86,1147 6.686,1148 7.113,1149 5.375,1150 5.4,1151 7.71,1152 1.2,1153 19.921,1154 5.111,1155 15.5,1156 1.515,1157 1.565,1158 1.549,1159 1.518,1160 1.514,1161 2.038,1162 0.042,1163 4.496,1164 1.433,1165 4.133,1166 4.151,1167 4.738,1168 4.088,1169 8.201,1170 4.059,1171 4.052,1172 4.042,1173 4.083,1174 4.013,1175 7.717,1176 3.96,1177 3.851,1178 3.894,1179 3.933,1180 3.749,1181 6.999,1182 3.755,1183 3.767,1184 3.819,1185 3.719,1186 3.639,1187 5.06,1188 3.631,1189 3.602,1190 3.585,1191 3.659,1192 3.513,1193 4.956,1194 3.449,1195 3.395,1196 3.431,1197 3.438,1198 3.304,1199 4.584,1200 3.293,1201 3.111,1202 3.206,1203 3.16,1204 2.941,1205 4.443,1206 2.92,1207 3.074,1208 3.15,1209 2.943,1210 2.917,1211 4.298,1212 2.91,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1221 0.021,1222 7.311,1223 0.33,1224 4.319,1225 0.082,1226 3.4,1227 4.71,1228 0.8,1229 12.528,1230 3.111,1231 2.067,1232 2.045,1233 2.137,1234 2.154,1235 1.411,1236 2.152,1237 1.955,1238 1.964,1239 2.02,1240 2.036,1241 1.245,1242 2.065,1243 1.825,1244 1.783,1245 1.964,1246 1.969,1247 1.153,1248 1.988,1249 1.748,1250 1.701,1251 1.838,1252 1.882,1253 0.951,1254 1.88,1255 1.449,1256 1.458,1257 1.559,1258 1.596,1259 0.825,1260 1.622,1261 1.346,1262 1.335,1263 1.513,1264 1.489,1265 0.684,1266 1.511,1267 1.153,1268 1.064,1269 1.313,1270 1.376,1271 0.54,1272 1.429,1273 1.034,1274 0.97,1275 1.191,1276 1.275,1277 0.482,1278 1.291,1279 4.344,1281 5.694,1283 7.246,1285 8.885,1287 10.568,1290 6.21,1291 13.211,1295 5.616,1296 2.467,1300 2.389,1305 38.181,1306 101.008,1307 208.655,1308 261.173,1309 293.212,1310 293.212,1311 293.212,1312 70.817,1313 8.412,1314 75.19,1315 83.57,1316 30,1317 12.867,1318 4.7,1319 3.858,1320 49.97,1321 152,1322 164,1323 0.159,1324 237.242,1325 407.99,1326 570.631,1327 59997,1328 3.6,1329 23.709,1330 0.697,1331 0.582,1332 23.588,1333 19.781,1334 16.404,1335 0.432,1336 0.338,1337 11.017,1338 14.839,1339 10.668,1340 8.784,1341 17.12,1342 12.848,1343 15.45,1344 0.281,1345 0.187,1346 16.499,1347 10.272,1348 12.985,1349 0.178,1350 0.105,1351 14.046,1352 7.639,1353 10.639,1354 0.112,1355 0.058,1356 11.777,1357 5.481,1358 9.212,1359 0.072,1360 0.032,1361 10.436,1362 4.086,1363 0.25,1364 113.54,1365 0.198,1366 31.318,1367 0.434,1368 186,1369 595.914,1370 254.765,1371 606.881,1372 813.07,1373 560,1374 221,1375 549.046,1376 293.863,1377 598.419,1378 877.44,1379 562,1380 6.303}
{0 CHEMBL1914721,1 1.851,2 13.6,3 4.018,4 16.146,5 135.807,6 9.001,7 0.59,8 4.17,9 4.259,10 4.007,11 3.789,12 5.302,13 3.76,14 4.711,15 4.841,16 4.354,17 4.193,18 6.037,19 4.155,20 5.013,21 5.19,22 4.462,23 4.364,24 6.207,25 4.293,26 5.058,27 5.249,28 4.417,29 4.349,30 6.232,31 4.253,32 5.006,33 5.205,34 4.415,35 4.301,36 6.223,37 4.226,38 4.935,39 5.127,40 4.366,41 4.279,42 6.256,43 4.198,44 4.922,45 5.116,46 4.289,47 4.238,48 6.099,49 4.145,50 4.829,51 5.016,52 4.187,53 4.122,54 6.048,55 4.035,56 0.162,57 0.915,58 10.771,59 5.415,60 26.777,61 5.703,62 0.486,63 1.493,64 19.045,65 8.988,66 65.766,67 10.035,68 0.669,69 1.926,70 32.749,71 13.213,72 82.255,73 14.65,74 0.823,75 1.897,76 43.837,77 14.445,78 100.566,79 15.983,80 0.811,81 1.769,82 35.038,83 13.097,84 114.138,85 15.668,86 0.726,87 1.744,88 29.334,89 12.07,90 108.285,91 14.814,92 0.636,93 1.636,94 35.644,95 12.26,96 71.054,97 14.176,98 0.601,99 1.481,100 30.414,101 11.226,102 75.913,103 12.958,104 26,105 57,106 0.298,107 0.63,108 0.778,109 0.853,110 0.853,111 0.853,112 3.589,113 0.994,114 -3.58,115 -3.55,116 -3.39,119 43.9,121 2,125 2,127 1,142 9,143 3,144 4,145 2,146 1,147 1,172 8,174 1,175 9,178 2,180 3,183 11,187 9,190 1,192 4,195 10,198 1,199 11,202 1,204 3,207 9,211 2,212 9,217 2,220 7,224 8,229 4,232 13,236 2,237 7,242 1,245 12,250 4,253 3,255 3,258 8,263 4,268 2,271 9,275 2233,276 23.35,277 23.35,278 23.35,279 23.35,280 23.35,281 20.363,282 19.434,283 13.411,284 23.972,285 19.229,286 19.229,287 19.229,288 19.229,289 19.229,290 14.683,291 21.572,292 6.375,293 20.362,294 3.982,295 1.914,296 0.992,297 0.526,298 0.526,299 0.526,300 4.293,302 1,305 1,306 1043,307 3.536,311 521.952,315 158.369,318 1.977,319 51.247,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 76.833,331 476,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.8,339 12.528,340 3.111,341 4.576,342 3.283,343 6.711,344 4.139,345 3.164,346 4.495,348 10.923,349 3.075,350 4.272,351 3.175,352 6.231,353 3.856,354 2.899,355 3.94,357 9.339,358 2.784,359 3.899,360 2.874,361 5.92,362 3.557,363 2.62,364 3.403,366 8.227,367 2.447,368 3.822,369 2.827,370 5.728,371 3.41,372 2.456,373 3.31,375 7.663,376 2.32,377 3.696,378 2.611,379 5.14,380 3.317,381 2.378,382 3.017,384 6.301,385 2.206,386 3.343,387 2.405,388 5.046,389 3.134,390 2.186,391 2.416,393 6.048,394 2.064,395 3.085,396 1.987,397 4.734,398 2.592,399 1.645,400 2.318,402 4.775,403 1.547,404 3.04,405 1.676,406 4.594,407 2.517,408 1.563,409 2.277,411 4.543,412 1.484,413 2.841,414 1.652,415 4.385,416 2.492,417 1.532,418 1.974,420 4.142,421 1.458,422 2.823,423 1.528,424 4.147,425 2.303,426 1.383,427 1.94,428 3.69,429 1.278,430 2.75,431 1.326,432 3.963,433 2.269,434 1.299,435 1.815,436 3.239,437 1.198,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.213,448 1,449 3.414,450 1.984,451 1,452 1.104,454 2.275,455 0.983,456 2,457 0.856,458 3.371,459 1.76,460 0.793,461 1,463 1.959,464 0.763,465 16.933,466 0.484,467 1.046,468 0.03,469 48.75,470 1.393,471 26,472 0.743,473 22.75,474 0.65,475 29.84,476 0.853,477 37.067,478 0.65,479 40.828,480 1.167,481 9.256,482 0.264,483 7.542,484 0.215,485 0.118,486 0.049,487 0.319,491 1,493 0.6,494 1.143,495 0.673,496 1.066,497 0.663,498 0.85,499 0.66,500 1.057,501 0.747,502 0.944,503 0.568,504 0.92,505 0.962,506 1.006,507 0.887,508 0.958,509 0.875,510 0.957,511 1.01,512 0.913,513 1.068,514 1.029,515 0.999,516 1.031,517 0.654,518 0.827,519 0.694,520 0.855,521 0.762,522 0.898,523 0.53,524 0.942,525 0.762,526 0.919,527 0.416,528 0.982,529 0.921,530 0.868,531 1.193,532 1.001,533 0.752,534 1.025,535 0.94,536 0.953,537 1.075,538 1.025,539 0.92,540 1.069,541 8.5,542 0.326,543 5.333,544 2.313,545 2.284,546 1.576,547 0.97,548 0.677,549 0.476,550 0.386,551 18467,552 59362,553 2.099,554 38.6,556 14,558 2,559 2,562 4,564 1.768,565 1.953,566 3.711,567 0.219,573 105.516,574 1.851,575 3.919,576 4.841,577 5.307,578 5.307,579 5.307,580 3.19,581 4.786,582 5.101,583 3.845,584 2287.48,585 8.962,586 35256.1,591 332.475,592 1.566,593 5.051,594 0.218,595 0.009,596 0.094,597 0.039,598 0.042,599 0.029,600 0.018,601 0.014,602 0.011,603 0.01,604 0.483,605 0.33,606 0.75,607 0.548,608 188.843,609 0.006,610 -0.108,611 0.116,612 -0.045,613 -0.113,614 0.036,615 0.093,616 -0.053,617 0.009,618 -0.021,619 0.145,620 -0.034,621 -0.092,622 -0.023,624 0.02,625 -0.032,626 0.003,627 -0.107,628 -0.001,629 -0.052,630 -0.013,631 -0.094,632 -0.038,633 0.115,634 -0.009,635 0.174,636 0.065,637 0.043,638 0.099,639 0.199,640 -0.012,641 0.095,642 0.003,643 0.257,644 0.002,645 -0.103,646 0.019,647 -0.105,648 -0.031,649 -0.04,650 -0.035,651 -0.05,652 -0.085,653 -0.067,654 -0.072,655 -0.062,656 -0.083,657 4.907,658 5.779,659 0.8,660 37.394,661 1.02,662 1.122,663 2.35,664 5.52,665 0.71,666 3.689,667 4.06,668 4.331,669 4.585,670 4.89,671 4.984,672 5.106,673 5.252,674 5.429,675 5.537,676 7.657,677 0.682,678 513.03,679 3.689,680 5.263,681 6.125,682 7.02,683 7.901,684 8.799,685 9.686,686 10.585,687 11.476,688 12.377,689 7,694 1,695 1,699 2,703 2,704 11,705 2,709 7,711 23,726 1,730 2,731 57,733 25,734 2,735 39,737 61,738 25,739 20,740 5,741 7,746 5,747 6,748 1,755 3,758 3,761 20,762 5,766 2,769 1,771 2,779 1,781 22,782 8,783 2,784 10,785 2,790 4,794 0.8,795 3,797 1,805 2,812 5,816 1,838 1,840 4,842 1,845 1,846 1,848 35,852 1,853 1,854 4,855 1,858 1,859 1,869 2,870 5.3,871 1,873 2,877 17.917,878 10.086,879 7.431,880 3.351,881 4.446,882 1.523,883 1.003,884 6.538,885 12.954,886 3.98,887 4.649,888 5.223,889 5.816,890 6.438,891 6.782,892 7.215,893 7.653,894 8.145,895 8.494,896 1,897 60,898 13.304,900 6.202,901 8.01,902 24.431,904 20.892,905 2.51,906 87.861,910 235.422,911 148.814,912 53.1,913 39.149,914 86.996,915 14.96,916 5.807,917 143.007,918 361.567,919 68.06,921 9.28,922 133.777,923 117.831,924 48.493,925 57.181,926 211.88,928 235.422,929 196.107,930 101.956,931 44.956,933 203.298,934 91.397,935 42.683,937 29.519,938 116.612,939 55.783,940 39.149,941 250.382,942 140.097,943 187.963,945 5.807,946 235.422,947 39.626,948 106.505,949 16.405,950 174.676,951 235.422,952 155.057,953 187.963,955 0.597,956 0.345,957 0.177,958 0.106,959 29,960 13,961 0.082,962 5,963 1,964 1.071,965 4.472,966 345.322,967 0.071,968 28,969 169.525,973 1,974 23.803,975 9.614,976 5.058,977 1.779,978 155.057,979 17.236,980 8.648,984 2,986 59.088,987 578.442,988 52.5,991 -3.99,993 25.558,999 58.138,1000 63.977,1001 0.317,1002 0.672,1003 0.83,1004 0.91,1005 0.91,1006 0.91,1007 5.24,1008 1.645,1009 6.151,1010 6.048,1011 4.745,1012 5.338,1013 0.673,1014 7.009,1015 4.637,1016 6.489,1017 1.563,1018 7.748,1019 4.775,1020 4.511,1021 5.394,1022 0.325,1023 8.159,1024 4.298,1025 7.84,1026 1.532,1027 9.453,1028 4.543,1029 6.428,1030 7.67,1031 0.379,1032 11.208,1033 6.212,1034 9.232,1035 1.383,1036 11.224,1037 4.142,1038 6.986,1039 8.536,1040 0.268,1041 13.185,1042 6.659,1043 10.659,1044 1.299,1045 13.04,1046 3.69,1047 8.425,1048 10.344,1049 0.239,1050 15.826,1051 8.088,1052 12.111,1053 1,1054 14.886,1055 3.239,1056 9.331,1057 11.568,1058 0.188,1059 18.123,1060 8.892,1061 13.584,1062 1,1063 16.757,1064 2.275,1065 10.599,1066 13.201,1067 0.156,1068 20.652,1069 10.128,1070 3.4,1071 0.793,1072 18.645,1073 2.275,1074 11.661,1075 14.588,1076 0.125,1077 23.072,1078 11.099,1079 3.164,1080 12.528,1081 20.549,1082 1.959,1083 12.869,1084 16.152,1085 0.102,1086 25.575,1087 12.258,1088 2.899,1089 10.923,1090 22.465,1091 4.71,1092 14.003,1093 17.614,1094 0.082,1095 28.046,1096 13.308,1097 2.62,1098 9.339,1099 24.39,1100 4.495,1101 15.195,1102 19.154,1103 0.066,1104 30.547,1105 14.439,1106 2.456,1107 8.227,1108 26.324,1109 3.94,1110 16.362,1111 20.652,1112 0.054,1113 33.041,1114 15.526,1115 2.378,1116 7.663,1117 28.265,1118 3.403,1119 17.553,1120 22.183,1121 0.043,1122 35.547,1123 16.647,1124 2.186,1125 6.301,1126 30.211,1127 3.31,1128 18.737,1129 23.698,1130 0.035,1131 38.052,1132 17.752,1133 17293,1134 31311,1135 25.948,1136 40.443,1137 59.384,1138 61.018,1139 61.113,1140 59.265,1141 59.092,1142 78.993,1143 1.6,1144 176.969,1145 55.78,1146 5.86,1147 6.686,1148 6.84,1149 5.375,1150 5.4,1151 7.71,1152 1.2,1153 19.921,1154 5.111,1155 17.937,1156 1.523,1157 1.565,1158 1.567,1159 1.52,1160 1.515,1161 2.025,1162 0.041,1163 4.538,1164 1.43,1165 4.134,1166 4.151,1167 4.738,1168 4.088,1169 8.201,1170 4.059,1171 4.052,1172 4.042,1173 4.083,1174 4.013,1175 7.717,1176 3.96,1177 3.853,1178 3.894,1179 3.934,1180 3.749,1181 6.999,1182 3.755,1183 3.774,1184 3.819,1185 3.719,1186 3.637,1187 6.449,1188 3.636,1189 3.602,1190 3.585,1191 3.682,1192 3.513,1193 5.06,1194 3.449,1195 3.398,1196 3.432,1197 3.445,1198 3.304,1199 4.956,1200 3.294,1201 3.111,1202 3.206,1203 3.167,1204 2.941,1205 4.584,1206 2.926,1207 3.103,1208 3.166,1209 2.981,1210 2.918,1211 4.442,1212 2.91,1213 0.125,1214 0.12,1215 0.187,1216 0.111,1217 0.087,1218 4.86,1219 0.121,1220 4.686,1221 0.021,1222 7.311,1223 0.321,1224 4.319,1225 0.08,1226 3.4,1227 4.71,1228 0.8,1229 12.528,1230 3.111,1231 2.067,1232 2.045,1233 2.134,1234 2.154,1235 1.387,1236 2.151,1237 1.955,1238 1.964,1239 1.995,1240 2.036,1241 1.239,1242 2.065,1243 1.82,1244 1.782,1245 1.963,1246 1.97,1247 1.153,1248 1.981,1249 1.743,1250 1.699,1251 1.836,1252 1.882,1253 0.948,1254 1.879,1255 1.448,1256 1.458,1257 1.555,1258 1.596,1259 0.825,1260 1.621,1261 1.345,1262 1.335,1263 1.513,1264 1.491,1265 0.666,1266 1.51,1267 1.153,1268 1.064,1269 1.275,1270 1.376,1271 0.517,1272 1.429,1273 1.03,1274 0.974,1275 1.188,1276 1.307,1277 0.45,1278 1.295,1279 4.369,1281 5.727,1283 7.281,1285 8.92,1287 10.602,1290 6.201,1291 13.217,1294 9.872,1295 2.926,1296 2.448,1299 -0.271,1300 2.239,1305 38.896,1306 105.516,1307 223.362,1308 275.945,1309 302.475,1310 302.475,1311 302.475,1312 80.893,1313 8.508,1314 95.42,1315 103.8,1316 30,1317 12.9,1318 4.7,1319 3.858,1320 52.193,1321 161,1322 173,1323 0.157,1324 241.239,1325 416.78,1326 580.382,1327 67492,1328 3.5,1329 24.579,1330 0.702,1331 0.574,1332 24.459,1333 20.099,1334 16.798,1335 0.431,1336 0.331,1337 11.075,1338 15.162,1339 10.735,1340 8.795,1341 17.514,1342 12.922,1343 16.072,1344 0.282,1345 0.183,1346 17.121,1347 10.442,1348 13.396,1349 0.179,1350 0.103,1351 14.456,1352 7.747,1353 10.791,1354 0.111,1355 0.056,1356 11.929,1357 5.453,1358 9.441,1359 0.072,1360 0.031,1361 10.666,1362 4.087,1363 0.247,1364 116.48,1365 0.196,1366 32.105,1367 0.427,1368 192,1369 634.064,1370 262.868,1371 640.094,1372 851.59,1373 590,1374 228,1375 570.319,1376 302.524,1377 618.628,1378 906.63,1379 581,1380 6.824}
{0 CHEMBL1914722,1 1.775,2 14.378,3 5.269,4 27.763,5 147.299,6 8.439,7 0.561,8 4.266,9 4.372,10 4.053,11 3.866,12 5.341,13 3.827,14 4.826,15 4.988,16 4.398,17 4.263,18 6.066,19 4.218,20 5.103,21 5.296,22 4.511,23 4.463,24 6.218,25 4.382,26 5.204,27 5.409,28 4.479,29 4.503,30 6.275,31 4.382,32 5.251,33 5.493,34 4.463,35 4.449,36 6.333,37 4.336,38 5.118,39 5.362,40 4.396,41 4.359,42 6.305,43 4.258,44 4.961,45 5.157,46 4.34,47 4.316,48 6.082,49 4.22,50 4.93,51 5.115,52 4.276,53 4.286,54 6.055,55 4.186,56 0.109,57 1.043,58 13.612,59 6.071,60 18.707,61 7.119,62 0.475,63 1.7,64 25.384,65 9.934,66 62.236,67 12.21,68 0.565,69 2.16,70 37.596,71 14.035,72 59.958,73 16.862,74 0.58,75 2.198,76 50.004,77 17.137,78 84.59,79 20.759,80 0.827,81 2.171,82 49.584,83 17.151,84 121.142,85 22.372,86 0.803,87 2.014,88 42.021,89 14.353,90 120.892,91 19.078,92 0.516,93 1.754,94 37.41,95 12.576,96 59.612,97 15.347,98 0.391,99 1.704,100 32.948,101 12.575,102 54.634,103 15.471,104 38,105 60,106 0.28,107 0.588,108 0.743,109 0.828,110 0.828,111 0.828,112 3.642,113 1.017,114 -3.98,115 -3.93,116 -3.72,119 42.2,120 2,125 4,127 1,142 9,143 3,144 4,145 2,146 1,147 1,172 8,174 1,175 9,178 2,180 1,183 11,186 1,187 9,190 1,192 4,195 10,198 1,199 11,204 3,207 5,211 2,212 13,217 2,220 5,224 7,229 2,232 9,236 3,237 9,245 12,250 6,253 2,255 1,258 8,263 5,271 13,275 2656,276 24.557,277 24.557,278 24.557,279 24.557,280 24.557,281 21.57,282 22.868,283 14.046,284 25.268,285 20.197,286 20.197,287 20.197,288 20.197,289 20.197,290 15.651,291 28.249,292 6.634,293 21.448,294 4.225,295 2.269,296 1.282,297 0.742,298 0.742,299 0.742,300 4.344,302 1,305 1,306 1156,307 3.937,311 561.533,315 171.253,318 2.118,319 46.398,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 80.333,331 532,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.8,339 12.528,340 3.111,341 4.576,342 3.297,343 6.711,344 4.14,345 3.166,346 4.495,347 0.8,348 10.924,349 3.075,350 4.273,351 3.178,352 6.231,353 3.86,354 2.904,355 3.94,357 9.34,358 2.785,359 3.906,360 3.012,361 5.951,362 3.68,363 2.748,364 3.403,366 8.321,367 2.559,368 3.827,369 2.874,370 5.896,371 3.483,372 2.547,373 3.31,375 8.107,376 2.361,377 3.766,378 2.76,379 5.695,380 3.337,381 2.39,382 3.023,384 7.523,385 2.251,386 3.591,387 2.487,388 5.14,389 3.269,390 2.33,391 2.711,393 6.301,394 2.162,395 3.085,396 1.988,397 4.734,398 2.64,399 1.668,400 2.319,402 4.777,403 1.618,404 3.041,405 1.752,406 4.666,407 2.592,408 1.645,409 2.278,411 4.716,412 1.547,413 2.932,414 1.653,415 4.396,416 2.51,417 1.554,418 2.03,420 4.192,421 1.47,422 2.831,423 1.529,424 4.148,425 2.306,426 1.383,427 1.956,428 3.692,429 1.289,430 2.782,431 1.364,432 4.015,433 2.279,434 1.31,435 1.902,436 3.312,437 1.203,438 2.5,439 1.309,440 3.727,441 2.14,442 1.183,443 1.5,445 2.814,446 1.128,447 2.345,448 1.146,449 3.414,450 2,451 1,452 1.314,454 2.275,455 1,456 2.081,457 1,458 3.414,459 1.967,460 1,461 1,463 2.275,464 0.965,465 18,466 0.486,467 1.136,468 0.031,469 50.25,470 1.358,471 26,472 0.703,473 24.25,474 0.655,475 34.173,476 0.924,477 39.6,478 0.619,479 42.48,480 1.148,481 9.545,482 0.258,483 8.163,484 0.221,485 0.148,486 0.046,487 0.322,491 1,493 0.544,494 1.274,495 0.688,496 1.141,497 0.594,498 0.928,499 0.694,500 1.046,501 0.734,502 0.873,503 0.498,504 0.846,505 0.952,506 0.949,507 0.898,508 0.923,509 0.786,510 0.935,511 0.892,512 1.004,513 1.022,514 1.13,515 0.901,516 1.117,517 0.615,518 0.836,519 0.655,520 0.851,521 0.715,522 0.888,523 0.571,524 0.808,525 0.686,526 0.739,527 0.379,528 0.785,529 0.949,530 0.864,531 1.196,532 0.979,533 0.758,534 0.991,535 0.868,536 1.041,537 1.058,538 1.094,539 0.86,540 1.123,541 9,542 0.384,543 5.778,544 2.563,545 2.364,546 1.701,547 1.011,548 0.74,549 0.534,550 0.446,551 21481,552 62108,553 2.077,554 42.2,556 18,558 2,559 1,561 6,564 1.782,565 1.922,566 3.788,567 -0.338,573 113.626,574 1.775,575 3.731,576 4.718,577 5.258,578 5.258,579 5.258,580 3.247,581 4.777,582 5.179,583 3.942,584 2625.23,585 9.118,586 42472.2,591 384,592 1.599,593 5.125,594 0.22,595 0.01,596 0.096,597 0.04,598 0.041,599 0.03,600 0.018,601 0.014,602 0.011,603 0.01,604 0.489,605 0.33,606 0.75,607 0.707,608 203.78,609 0.05,610 -0.189,611 0.135,612 -0.094,613 -0.095,614 0.002,615 0.111,616 -0.01,617 0.067,618 0.058,619 0.203,620 0.064,621 -0.081,622 0.081,623 -0.014,624 0.047,625 0.011,626 0.012,627 -0.06,628 -0.094,629 -0.046,630 -0.111,631 -0.041,632 -0.116,633 0.158,634 -0.047,635 0.215,636 0.073,637 0.087,638 0.126,639 0.211,640 0.096,641 0.207,642 0.182,643 0.299,644 0.21,645 -0.096,646 0.073,647 -0.107,648 -0.001,649 -0.039,650 -0.022,651 -0.051,652 -0.131,653 -0.097,654 -0.131,655 -0.062,656 -0.143,657 4.897,658 5.835,659 0.757,660 42.89,661 1.011,662 1.127,663 2.746,664 7.541,665 0.696,666 3.738,667 4.111,668 4.382,669 4.625,670 4.92,671 5.037,672 5.176,673 5.313,674 5.497,675 5.613,676 8.129,677 0.66,678 540.11,679 3.738,680 5.313,681 6.176,682 7.071,683 7.951,684 8.848,685 9.735,686 10.634,687 11.524,688 12.425,689 7.8,692 1,694 1,695 1,699 2,703 2,704 11,705 2,709 7,711 23,726 1,730 2,731 64,733 25,734 2,735 41,737 68,738 27,739 20,740 5,741 7,746 5,747 6,748 1,752 2,758 1,761 20,762 7,766 2,769 1,771 2,779 1,781 27,782 8,783 1,784 10,785 2,790 5,794 0.8,795 2,805 2,812 5,816 1,836 1,840 4,842 1,844 2,845 1,846 1,848 37,852 1,854 4,855 1,858 1,859 2,869 2,870 3.1,873 2,877 19.25,878 12.086,879 7.875,880 3.884,881 4.452,882 1.513,883 1.012,884 7.261,885 13.128,886 4.016,887 4.677,888 5.244,889 5.828,890 6.444,891 6.791,892 7.227,893 7.666,894 8.161,895 8.514,896 0.9,897 64,898 14.033,900 6.408,901 7.875,902 26.144,904 22.116,905 2.375,906 87.861,910 306.049,911 165.607,912 56.225,913 39.149,914 44.313,915 14.96,916 5.807,917 159.8,918 389.51,919 71.185,920 17.65,921 8.423,922 91.094,923 117.831,924 51.617,925 57.181,926 282.506,928 306.049,929 216.024,930 59.273,931 44.956,933 250.382,934 114.94,937 49.437,938 116.612,939 55.783,940 39.149,941 321.009,942 100.538,943 204.756,945 5.807,946 306.049,947 38.768,948 127.28,949 16.405,950 131.993,951 306.049,952 115.498,953 204.756,955 0.599,956 0.347,957 0.174,958 0.101,959 30,960 14,961 0.088,962 6,963 1,964 1.071,965 4.61,966 370.313,967 0.071,968 28,969 180.75,973 1,974 25.716,975 10.448,976 5.52,977 1.896,978 115.498,979 17.638,980 8.754,984 2.23,986 16.405,987 626.302,988 54.5,991 -3.98,993 25.671,999 64.68,1000 72.096,1001 0.296,1002 0.622,1003 0.786,1004 0.876,1005 0.876,1006 0.876,1007 5.282,1008 1.668,1009 6.205,1010 6.301,1011 4.796,1012 5.366,1013 1.072,1014 7.066,1015 4.683,1016 6.527,1017 1.645,1018 7.806,1019 4.777,1020 4.575,1021 5.421,1022 0.57,1023 8.215,1024 4.363,1025 7.878,1026 1.554,1027 9.514,1028 4.716,1029 6.482,1030 7.686,1031 0.653,1032 11.26,1033 6.254,1034 9.267,1035 1.383,1036 11.287,1037 4.192,1038 7.048,1039 8.549,1040 0.479,1041 13.228,1042 6.718,1043 10.691,1044 1.31,1045 13.102,1046 3.692,1047 8.48,1048 10.352,1049 0.432,1050 15.861,1051 8.129,1052 12.141,1053 1.183,1054 14.947,1055 3.312,1056 9.388,1057 11.574,1058 0.346,1059 18.148,1060 8.941,1061 13.611,1062 1,1063 16.815,1064 2.814,1065 10.649,1066 13.204,1067 0.291,1068 20.671,1069 10.165,1070 3.4,1071 1,1072 18.699,1073 2.275,1074 11.709,1075 14.59,1076 0.237,1077 23.085,1078 11.138,1079 3.166,1080 12.528,1081 20.598,1082 2.275,1083 12.912,1084 16.154,1085 0.195,1086 25.585,1087 12.29,1088 2.904,1089 10.924,1090 22.509,1091 4.71,1092 14.041,1093 17.616,1094 0.158,1095 28.052,1096 13.338,1097 2.748,1098 9.34,1099 24.429,1100 4.495,1101 15.229,1102 19.155,1103 0.129,1104 30.552,1105 14.464,1106 2.547,1107 8.321,1108 26.358,1109 3.94,1110 16.392,1111 20.652,1112 0.104,1113 33.044,1114 15.548,1115 2.39,1116 8.107,1117 28.294,1118 3.403,1119 17.579,1120 22.184,1121 0.084,1122 35.549,1123 16.666,1124 2.33,1125 7.523,1126 30.237,1127 3.31,1128 18.76,1129 23.698,1130 0.068,1131 38.053,1132 17.769,1133 20269,1134 34985,1135 27.046,1136 44.517,1137 62.615,1138 64.437,1139 64.538,1140 62.542,1141 62.417,1142 82.325,1143 3.2,1144 187.082,1145 58.837,1146 5.86,1147 6.686,1148 6.84,1149 5.387,1150 5.4,1151 7.71,1152 1.2,1153 19.921,1154 5.111,1155 20.636,1156 1.527,1157 1.572,1158 1.574,1159 1.525,1160 1.522,1161 2.008,1162 0.078,1163 4.563,1164 1.435,1165 4.135,1166 4.154,1167 4.738,1168 4.088,1169 8.201,1170 4.059,1171 4.051,1172 4.042,1173 4.084,1174 4.013,1175 7.717,1176 3.96,1177 3.861,1178 3.916,1179 3.934,1180 3.746,1181 6.999,1182 3.754,1183 3.795,1184 3.842,1185 3.721,1186 3.637,1187 5.06,1188 3.642,1189 3.606,1190 3.606,1191 3.711,1192 3.515,1193 4.956,1194 3.454,1195 3.503,1196 3.559,1197 3.465,1198 3.361,1199 4.584,1200 3.346,1201 3.364,1202 3.41,1203 3.298,1204 3.243,1205 4.446,1206 3.23,1207 3.111,1208 3.206,1209 3.136,1210 2.941,1211 4.393,1212 2.91,1213 0.119,1214 0.114,1215 0.178,1216 0.105,1217 0.083,1218 4.86,1219 0.115,1220 4.686,1221 0.02,1222 7.311,1223 0.306,1224 4.319,1225 0.076,1226 3.4,1227 4.71,1228 0.8,1229 12.528,1230 3.111,1231 2.066,1232 2.045,1233 2.131,1234 2.154,1235 1.352,1236 2.151,1237 1.955,1238 1.963,1239 2.003,1240 2.038,1241 1.236,1242 2.066,1243 1.819,1244 1.777,1245 1.964,1246 1.994,1247 1.153,1248 2.003,1249 1.754,1250 1.698,1251 1.856,1252 1.893,1253 1.028,1254 1.889,1255 1.52,1256 1.475,1257 1.782,1258 1.715,1259 0.932,1260 1.747,1261 1.425,1262 1.418,1263 1.544,1264 1.587,1265 0.825,1266 1.614,1267 1.332,1268 1.304,1269 1.513,1270 1.477,1271 0.64,1272 1.498,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.503,1278 1.429,1279 4.419,1281 5.778,1283 7.332,1285 8.97,1287 10.651,1289 4.44,1290 6.24,1291 13.258,1295 3.859,1296 2.476,1299 0.523,1300 4.855,1305 42.256,1306 113.626,1307 238.814,1308 301.961,1309 336.49,1310 336.49,1311 336.49,1312 80.532,1313 8.676,1314 78.43,1315 86.81,1316 30,1317 12.948,1318 4.7,1319 3.858,1320 56.774,1321 180,1322 192,1323 0.152,1324 263.221,1325 453.59,1326 634.02,1327 83388,1328 3.1,1329 26.156,1330 0.707,1331 0.597,1332 26.036,1333 22.099,1334 17.708,1335 0.432,1336 0.339,1337 12.033,1338 16.034,1339 11.56,1340 9.545,1341 18.424,1342 13.893,1343 16.971,1344 0.283,1345 0.189,1346 18.02,1347 11.341,1348 14.095,1349 0.178,1350 0.105,1351 15.155,1352 8.327,1353 11.316,1354 0.112,1355 0.058,1356 12.455,1357 5.825,1358 9.645,1359 0.071,1360 0.031,1361 10.87,1362 4.178,1363 0.241,1364 121.942,1365 0.192,1366 33.69,1367 0.412,1368 202,1369 631.559,1370 273.179,1371 640.747,1372 859.93,1373 592,1374 240,1375 584.511,1376 315.416,1377 634.272,1378 929.03,1379 595,1380 7.553}
{0 CHEMBL1914723,1 1.741,2 16.463,3 6.126,4 37.532,5 162.745,6 8.649,7 0.63,8 4.334,9 4.433,10 4.136,11 3.965,12 5.432,13 3.93,14 4.875,15 5.02,16 4.472,17 4.363,18 6.129,19 4.318,20 5.152,21 5.334,22 4.572,23 4.542,24 6.27,25 4.458,26 5.244,27 5.45,28 4.537,29 4.546,30 6.313,31 4.435,32 5.24,33 5.456,34 4.553,35 4.52,36 6.361,37 4.428,38 5.193,39 5.406,40 4.5,41 4.508,42 6.383,43 4.404,44 5.174,45 5.401,46 4.413,47 4.457,48 6.21,49 4.34,50 5.04,51 5.249,52 4.334,53 4.355,54 6.114,55 4.253,56 0.107,57 1.074,58 13.225,59 6.266,60 18.863,61 7.115,62 0.459,63 1.774,64 23.898,65 10.197,66 58.523,67 11.994,68 0.497,69 2.272,70 36.819,71 15.017,72 59.716,73 17.666,74 0.605,75 2.328,76 51.133,77 17.612,78 85.962,79 20.903,80 0.783,81 2.258,82 45.002,83 16.631,84 113.288,85 20.741,86 0.699,87 2.257,88 39.809,89 15.797,90 116.381,91 20.307,92 0.616,93 2.143,94 46.767,95 15.918,96 73.559,97 19.835,98 0.464,99 1.875,100 38.082,101 14.049,102 63.477,103 17.403,104 17,105 66,106 0.268,107 0.557,108 0.716,109 0.842,110 0.848,111 0.848,112 3.741,113 0.982,114 -4.53,115 -4.46,116 -4.2,119 45.6,125 5,142 14,143 4,144 4,145 2,146 1,147 1,172 14,174 1,175 8,178 2,180 1,183 16,186 1,187 11,190 1,192 4,195 13,198 1,199 13,204 3,207 5,211 2,212 13,217 2,220 5,224 9,229 2,232 9,236 3,237 11,245 10,250 7,253 2,255 1,258 11,263 4,271 17,275 3659,276 27.78,277 27.78,278 27.78,279 27.78,280 27.78,281 24.043,282 23.416,283 16.222,284 28.472,285 22.729,286 22.729,287 22.729,288 22.729,289 22.729,290 17.149,291 28.156,292 7.749,293 23.958,294 4.347,295 2.478,296 1.442,297 0.629,298 0.588,299 0.588,300 4.456,302 1,305 1,306 1492,307 3.742,311 776.911,315 194.134,318 2.644,319 47.034,322 0.75,323 0.67,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.73,330 88.333,331 675,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.916,339 12.528,340 3.111,341 4.576,342 3.292,343 6.711,344 4.139,345 3.165,346 4.495,347 0.8,348 10.923,349 3.075,350 4.272,351 3.177,352 6.231,353 3.857,354 2.9,355 3.94,356 0.172,357 9.339,358 2.784,359 3.945,360 2.997,361 5.921,362 3.651,363 2.7,364 3.457,366 8.238,367 2.586,368 3.892,369 2.874,370 5.742,371 3.505,372 2.559,373 3.403,375 7.824,376 2.397,377 3.821,378 2.777,379 5.556,380 3.37,381 2.411,382 3.31,384 7.482,385 2.296,386 3.69,387 2.538,388 5.14,389 3.308,390 2.368,391 3.017,393 6.301,394 2.194,395 3.37,396 2.343,397 5.046,398 3.093,399 2.147,400 2.482,402 6.089,403 2.023,404 3.085,405 1.987,406 4.734,407 2.592,408 1.645,409 2.318,411 4.775,412 1.547,413 3.041,414 1.685,415 4.619,416 2.55,417 1.582,418 2.277,420 4.598,421 1.53,422 2.92,423 1.653,424 4.389,425 2.508,426 1.549,427 2.063,428 4.161,429 1.469,430 2.833,431 1.529,432 4.147,433 2.381,434 1.395,435 1.966,436 3.691,437 1.371,438 2.803,439 1.5,440 3.974,441 2.303,442 1.383,443 1.931,445 3.258,446 1.276,447 2.728,448 1.325,449 3.589,450 2.267,451 1.298,452 1.788,454 3.022,455 1.198,456 2.5,457 1.146,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 20,466 0.488,467 1.077,468 0.026,469 58.75,470 1.433,471 32,472 0.78,473 26.75,474 0.652,475 35.049,476 0.855,477 42.4,478 0.624,479 50.356,480 1.228,481 11.504,482 0.281,483 8.35,484 0.204,485 0.083,486 0.042,487 0.29,491 1,493 0.539,494 1.189,495 0.672,496 1.074,497 0.582,498 0.871,499 0.715,500 1.022,501 0.782,502 0.895,503 0.524,504 0.887,505 0.903,506 1.024,507 0.917,508 1.012,509 0.795,510 1.016,511 0.946,512 0.977,513 1.031,514 1.08,515 0.927,516 1.062,517 0.703,518 0.852,519 0.722,520 0.874,521 0.787,522 0.919,523 0.536,524 0.97,525 0.784,526 0.949,527 0.396,528 1.016,529 0.853,530 0.833,531 1.106,532 0.943,533 0.662,534 0.982,535 0.854,536 0.928,537 0.992,538 0.966,539 0.811,540 0.992,541 9,542 0.363,543 5.333,544 2.5,545 2.476,546 1.59,547 1.048,548 0.757,549 0.525,550 0.425,551 31024,552 90138,553 2.141,554 39.7,556 24,558 2,559 1,564 1.805,565 2.025,566 3.964,567 -0.376,573 118.376,574 1.741,575 3.609,576 4.645,577 5.459,578 5.499,579 5.499,580 3.498,581 4.9,582 5.324,583 4.139,584 3393.65,585 9.403,586 60574.8,591 413.947,592 1.429,593 5.295,594 0.196,595 0.007,596 0.081,597 0.036,598 0.039,599 0.024,600 0.017,601 0.013,602 0.01,603 0.008,604 0.431,605 0.17,606 0.75,607 0.458,608 234.815,609 0.05,610 -0.156,611 0.129,612 -0.081,613 -0.089,614 0.011,615 0.092,616 0.003,618 0.012,619 0.176,620 -0.012,621 -0.048,622 -0.019,623 -0.03,624 -0.041,625 0.01,626 -0.067,627 -0.068,628 -0.067,629 -0.021,630 -0.066,631 -0.042,632 -0.06,633 0.121,634 -0.021,635 0.155,636 0.054,637 0.06,638 0.077,639 0.207,640 -0.055,641 0.082,642 -0.021,643 0.268,644 -0.023,645 -0.047,646 0.052,647 -0.033,648 0.025,649 -0.005,650 0.027,651 -0.025,652 -0.054,653 0.005,654 -0.006,655 -0.027,656 0.011,657 4.91,658 5.896,659 0.829,660 57.944,661 1.01,662 1.119,663 3.303,664 10.912,665 0.713,666 3.85,667 4.205,668 4.477,669 4.736,670 5.03,671 5.112,672 5.263,673 5.434,674 5.62,675 5.756,676 9.204,677 0.68,678 588.15,679 3.85,680 5.416,681 6.275,682 7.163,683 8.038,684 8.93,685 9.812,686 10.706,687 11.591,688 12.487,689 7.4,692 1,694 1,695 1,699 2,703 2,704 16,705 2,709 8,711 29,726 1,730 2,731 68,733 31,734 3,735 46,737 73,738 31,739 26,740 6,741 12,746 6,747 7,748 1,761 26,762 5,766 2,769 1,771 2,779 1,781 27,782 8,783 1,784 10,785 2,790 5,794 0.833,795 2,805 2,812 6,816 1,836 1,840 5,842 1,845 1,846 1,848 41,852 1,854 5,855 1,859 2,869 2,870 2.9,873 2,877 20.25,878 12.169,879 8.764,880 3.987,881 5.329,882 1.579,883 1.041,884 7.807,885 14.535,886 4.151,887 4.804,888 5.372,889 5.954,890 6.557,891 6.845,892 7.271,893 7.708,894 8.196,895 8.557,896 1,897 69,898 15.504,900 7.074,901 7.834,902 28.991,904 24.584,905 2.334,906 95.694,910 306.049,911 200.629,912 56.225,913 39.149,914 44.313,915 14.96,916 5.807,917 194.822,918 389.51,919 71.185,921 10.529,922 138.475,923 117.831,924 54.803,925 57.181,926 282.506,928 306.049,929 251.046,930 59.273,931 44.956,933 321.009,934 44.313,937 33.892,938 167.178,939 55.783,940 39.149,941 321.009,942 100.538,943 239.778,945 5.807,946 306.049,947 44.059,948 157.011,949 16.405,950 131.993,951 306.049,952 115.498,953 239.778,955 0.59,956 0.342,957 0.179,958 0.104,959 33,960 14,961 0.096,962 7,963 1,964 1.059,965 5.076,966 424.531,967 0.059,968 34,969 205.66,973 1,974 27.468,975 11.653,976 6.154,977 1.877,978 115.498,979 28.163,980 8.799,984 3.503,986 16.405,987 661.324,988 62.5,991 -3.994,993 25.791,999 68.68,1000 76.096,1001 0.286,1002 0.593,1003 0.763,1004 0.897,1005 0.903,1006 0.903,1007 5.399,1008 2.147,1009 6.282,1010 6.301,1011 4.89,1012 5.493,1013 1.242,1014 7.122,1015 4.79,1016 6.633,1017 1.645,1018 7.863,1019 6.089,1020 4.575,1021 5.453,1022 0.57,1023 8.219,1024 4.371,1025 7.971,1026 1.582,1027 9.552,1028 4.775,1029 6.547,1030 7.792,1031 0.883,1032 11.274,1033 6.341,1034 9.348,1035 1.549,1036 11.309,1037 4.598,1038 7.048,1039 8.584,1040 0.581,1041 13.222,1042 6.733,1043 10.761,1044 1.395,1045 13.111,1046 4.161,1047 8.515,1048 10.426,1049 0.68,1050 15.859,1051 8.189,1052 12.201,1053 1.383,1054 14.947,1055 3.691,1056 9.386,1057 11.603,1058 0.515,1059 18.141,1060 8.958,1061 13.662,1062 1.298,1063 16.807,1064 3.258,1065 10.662,1066 13.251,1067 0.541,1068 20.666,1069 10.204,1070 3.4,1071 1,1072 18.688,1073 3.022,1074 11.704,1075 14.611,1076 0.441,1077 23.08,1078 11.154,1079 3.165,1080 12.528,1081 20.584,1082 2.275,1083 12.913,1084 16.182,1085 0.438,1086 25.581,1087 12.315,1088 2.9,1089 10.923,1090 22.493,1091 4.71,1092 14.035,1093 17.629,1094 0.373,1095 28.049,1096 13.351,1097 2.7,1098 9.339,1099 24.413,1100 4.495,1101 15.225,1102 19.171,1103 0.358,1104 30.55,1105 14.48,1106 2.559,1107 8.238,1108 26.343,1109 3.94,1110 16.385,1111 20.661,1112 0.314,1113 33.042,1114 15.558,1115 2.411,1116 7.824,1117 28.28,1118 3.457,1119 17.573,1120 22.192,1121 0.296,1122 35.548,1123 16.677,1124 2.368,1125 7.482,1126 30.223,1127 3.403,1128 18.753,1129 23.704,1130 0.264,1131 38.052,1132 17.776,1133 28559,1134 49174,1135 31.205,1136 48.517,1137 69.497,1138 71.186,1139 70.519,1140 69.469,1141 69.288,1142 93.349,1143 3.778,1144 203.483,1145 65.749,1146 5.86,1147 6.686,1148 7.113,1149 5.387,1150 5.4,1151 7.71,1152 1.605,1153 19.921,1154 5.111,1155 17.865,1156 1.511,1157 1.548,1158 1.533,1159 1.51,1160 1.506,1161 2.029,1162 0.082,1163 4.424,1164 1.429,1165 4.137,1166 4.156,1167 4.738,1168 4.09,1169 8.201,1170 4.061,1171 4.052,1172 4.042,1173 4.085,1174 4.013,1175 7.717,1176 3.96,1177 3.93,1178 3.97,1179 3.935,1180 3.857,1181 6.999,1182 3.85,1183 3.837,1184 3.872,1185 3.85,1186 3.742,1187 5.061,1188 3.75,1189 3.73,1190 3.789,1191 3.719,1192 3.568,1193 4.956,1194 3.57,1195 3.601,1196 3.585,1197 3.637,1198 3.507,1199 4.755,1200 3.446,1201 3.396,1202 3.434,1203 3.439,1204 3.297,1205 4.583,1206 3.288,1207 3.177,1208 3.256,1209 3.171,1210 3.007,1211 4.444,1212 3.005,1213 0.106,1214 0.102,1215 0.159,1216 0.094,1217 0.074,1218 4.86,1219 0.102,1220 4.686,1221 0.02,1222 7.311,1223 0.272,1224 4.319,1225 0.068,1226 3.4,1227 4.71,1228 0.916,1229 12.528,1230 3.111,1231 2.066,1232 2.045,1233 2.132,1234 2.155,1235 1.348,1236 2.152,1237 1.955,1238 1.963,1239 2.053,1240 2.043,1241 1.235,1242 2.067,1243 1.919,1244 1.887,1245 1.965,1246 2.02,1247 1.154,1248 2.036,1249 1.801,1250 1.769,1251 1.929,1252 1.926,1253 1.103,1254 1.932,1255 1.695,1256 1.634,1257 1.828,1258 1.866,1259 0.942,1260 1.866,1261 1.445,1262 1.455,1263 1.555,1264 1.596,1265 0.825,1266 1.621,1267 1.345,1268 1.33,1269 1.513,1270 1.493,1271 0.683,1272 1.512,1273 1.159,1274 1.089,1275 1.431,1276 1.376,1277 0.607,1278 1.429,1279 4.533,1281 5.878,1283 7.421,1285 9.049,1287 10.719,1290 6.268,1291 13.307,1295 4.642,1296 2.484,1300 4.853,1305 46.256,1306 118.376,1307 245.425,1308 315.89,1309 371.193,1310 373.947,1311 373.947,1312 81.845,1313 9.206,1314 78.43,1315 86.81,1316 36,1317 13.014,1318 5,1319 4.129,1320 59.548,1321 225,1322 250,1323 0.126,1324 285.415,1325 491.61,1326 688.173,1327 168559,1328 2.9,1329 28.399,1330 0.693,1331 0.576,1332 28.279,1333 23.615,1334 19.853,1335 0.432,1336 0.327,1337 13.199,1338 18.187,1339 12.784,1340 10.515,1341 20.569,1342 15.061,1343 18.572,1344 0.281,1345 0.181,1346 19.622,1347 11.973,1348 15.618,1349 0.18,1350 0.102,1351 16.679,1352 8.904,1353 12.823,1354 0.113,1355 0.056,1356 13.961,1357 6.334,1358 11.102,1359 0.073,1360 0.031,1361 12.326,1362 4.713,1363 0.202,1364 134.849,1365 0.179,1366 36.985,1367 0.334,1368 224,1369 685.559,1370 294.846,1371 697.394,1372 939.44,1373 646,1374 265,1375 641.159,1376 340.583,1377 694.689,1378 1016.02,1379 652,1380 6.866}
{0 CHEMBL1914724,1 1.784,2 16.463,3 4.976,4 24.758,5 160.589,6 8.793,7 0.63,8 4.326,9 4.426,10 4.14,11 3.944,12 5.441,13 3.915,14 4.865,15 5.013,16 4.474,17 4.34,18 6.133,19 4.302,20 5.133,21 5.313,22 4.572,23 4.524,24 6.266,25 4.446,26 5.23,27 5.434,28 4.538,29 4.535,30 6.309,31 4.427,32 5.238,33 5.455,34 4.554,35 4.51,36 6.365,37 4.422,38 5.179,39 5.389,40 4.502,41 4.493,42 6.381,43 4.394,44 5.168,45 5.399,46 4.416,47 4.433,48 6.218,49 4.323,50 5.009,51 5.215,52 4.334,53 4.327,54 6.112,55 4.235,56 0.124,57 1.095,58 12.58,59 6.066,60 19.553,61 6.754,62 0.506,63 1.788,64 23.125,65 9.769,66 60.1,67 11.27,68 0.556,69 2.253,70 35.182,71 14.421,72 60.94,73 16.68,74 0.657,75 2.298,76 49.765,77 17.236,78 87.202,79 20.287,80 0.872,81 2.255,82 44.707,83 16.38,84 117.52,85 20.345,86 0.73,87 2.23,88 38.276,89 15.432,90 116.123,91 19.72,92 0.712,93 2.133,94 46.692,95 15.343,96 78.565,97 18.972,98 0.55,99 1.844,100 36.255,101 13.133,102 65.932,103 15.969,104 17,105 66,106 0.276,107 0.576,108 0.733,109 0.839,110 0.846,111 0.846,112 3.741,113 0.972,114 -3.6,115 -3.57,116 -3.4,119 44.8,125 5,142 11,143 4,144 4,145 4,146 1,147 1,172 10,174 1,175 10,178 2,180 1,183 11,186 1,187 12,190 1,192 4,195 10,198 1,199 11,204 3,207 5,211 3,212 12,217 2,220 5,224 9,229 2,232 9,236 3,237 9,245 10,249 1,250 6,253 2,255 1,258 11,263 4,271 13,275 3659,276 27.78,277 27.78,278 27.78,279 27.78,280 27.78,281 24.043,282 23.416,283 16.222,284 28.546,285 22.729,286 22.729,287 22.729,288 22.729,289 22.729,290 17.149,291 28.156,292 7.749,293 24.058,294 4.283,295 2.338,296 1.326,297 0.638,298 0.597,299 0.597,300 4.456,302 1,305 1,306 1492,307 3.742,311 776.911,315 194.134,318 2.644,319 48.265,322 0.75,323 0.67,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.73,330 88.833,331 675,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.916,339 12.528,340 3.111,341 4.576,342 3.292,343 6.711,344 4.139,345 3.165,346 4.495,347 0.8,348 10.923,349 3.075,350 4.272,351 3.177,352 6.231,353 3.857,354 2.9,355 3.94,356 0.172,357 9.339,358 2.784,359 3.945,360 2.997,361 5.921,362 3.65,363 2.7,364 3.457,366 8.238,367 2.578,368 3.892,369 2.874,370 5.742,371 3.504,372 2.559,373 3.403,375 7.824,376 2.394,377 3.821,378 2.777,379 5.556,380 3.368,381 2.411,382 3.31,384 7.482,385 2.294,386 3.69,387 2.538,388 5.14,389 3.308,390 2.368,391 3.017,393 6.301,394 2.192,395 3.37,396 2.343,397 5.046,398 3.088,399 2.147,400 2.482,402 6.089,403 2.014,404 3.085,405 1.987,406 4.734,407 2.592,408 1.645,409 2.318,411 4.775,412 1.547,413 3.041,414 1.685,415 4.619,416 2.538,417 1.582,418 2.277,420 4.598,421 1.508,422 2.92,423 1.653,424 4.389,425 2.506,426 1.549,427 2.063,428 4.161,429 1.467,430 2.833,431 1.529,432 4.147,433 2.334,434 1.395,435 1.966,436 3.691,437 1.309,438 2.803,439 1.5,440 3.974,441 2.302,442 1.383,443 1.931,445 3.258,446 1.271,447 2.728,448 1.325,449 3.589,450 2.266,451 1.298,452 1.788,454 3.022,455 1.198,456 2.5,457 1.146,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 19.9,466 0.485,467 1.077,468 0.026,469 59.25,470 1.445,471 32,472 0.78,473 27.25,474 0.665,475 34.754,476 0.848,477 42.5,478 0.634,479 50.651,480 1.235,481 11.585,482 0.283,483 8.268,484 0.202,485 0.084,486 0.042,487 0.291,491 1,493 0.556,494 1.235,495 0.665,496 1.095,497 0.582,498 0.875,499 0.749,500 1.019,501 0.782,502 0.876,503 0.535,504 0.866,505 0.92,506 1.012,507 0.928,508 1.011,509 0.807,510 1.019,511 0.931,512 0.979,513 1.038,514 1.104,515 0.925,516 1.088,517 0.694,518 0.804,519 0.722,520 0.858,521 0.785,522 0.914,523 0.525,524 0.994,525 0.786,526 0.983,527 0.399,528 1.049,529 0.888,530 0.813,531 1.113,532 0.915,533 0.681,534 0.96,535 0.901,536 0.878,537 1.027,538 0.944,539 0.85,540 0.985,541 9,542 0.363,543 5.333,544 2.5,545 2.476,546 1.59,547 1.048,548 0.757,549 0.525,550 0.425,551 31024,552 94006,553 2.141,554 38.8,556 21,558 4,559 1,564 1.805,565 2.025,566 3.964,567 -0.352,573 119.5,574 1.784,575 3.728,576 4.741,577 5.428,578 5.469,579 5.469,580 3.498,581 4.9,582 5.324,583 4.139,584 3393.65,585 9.403,586 60574.8,591 406.428,592 1.429,593 5.295,594 0.196,595 0.007,596 0.081,597 0.036,598 0.039,599 0.024,600 0.017,601 0.013,602 0.01,603 0.008,604 0.431,605 0.33,606 0.75,607 0.458,608 234.815,609 0.04,610 -0.189,611 0.128,612 -0.098,613 -0.085,614 0.002,615 0.063,616 0.012,617 -0.003,618 0.031,619 0.17,620 0.005,621 -0.068,622 -0.006,623 -0.045,624 -0.036,625 0.002,626 -0.07,627 -0.07,628 -0.079,629 -0.03,630 -0.081,631 -0.045,632 -0.075,633 0.122,634 0.017,635 0.16,636 0.074,637 0.056,638 0.094,639 0.207,640 -0.09,641 0.079,642 -0.048,643 0.265,644 -0.046,645 -0.07,646 0.068,647 -0.031,648 0.053,649 -0.015,650 0.054,651 -0.049,652 0.008,653 -0.025,654 0.012,655 -0.049,656 0.01,657 4.914,658 5.893,659 0.829,660 57.944,661 1.013,662 1.122,663 2.368,664 5.609,665 0.713,666 3.85,667 4.205,668 4.477,669 4.736,670 5.03,671 5.112,672 5.263,673 5.434,674 5.62,675 5.756,676 9.204,677 0.683,678 589.14,679 3.85,680 5.416,681 6.275,682 7.163,683 8.038,684 8.93,685 9.812,686 10.706,687 11.591,688 12.487,689 9,692 1,694 1,695 1,699 3,703 2,704 15,705 3,709 8,711 29,726 1,730 2,731 67,733 31,734 2,735 46,737 72,738 30,739 25,740 5,741 7,746 6,747 7,748 1,761 25,762 5,766 2,769 1,771 2,779 1,781 26,782 9,783 1,784 11,785 2,790 6,794 0.833,795 2,805 3,812 6,816 1,836 1,840 5,842 1,845 1,846 1,848 41,852 1,854 5,855 1,859 2,869 2,870 3,873 2,877 20.25,878 12.036,879 8.764,880 3.898,881 5.329,882 1.579,883 1.039,884 7.763,885 14.535,886 4.151,887 4.804,888 5.372,889 5.954,890 6.557,891 6.845,892 7.271,893 7.708,894 8.196,895 8.557,896 1,897 69,898 15.49,900 7.066,901 7.858,902 28.861,904 24.401,905 2.358,906 96.694,910 294.278,911 190.295,912 73.01,913 39.149,914 44.313,915 14.96,916 5.807,917 184.488,918 377.739,919 87.97,921 10.529,922 110.046,923 158.159,924 72.897,925 57.181,926 247.193,928 294.278,929 257.498,930 59.273,931 44.956,933 309.238,934 44.313,937 51.987,938 138.75,939 72.569,940 39.149,941 309.238,942 117.323,943 229.444,945 5.807,946 294.278,947 44.059,948 146.677,949 16.405,950 148.778,951 294.278,952 132.283,953 229.444,955 0.59,956 0.342,957 0.179,958 0.104,959 33,960 14,961 0.097,962 7,963 1,964 1.059,965 5.076,966 424.531,967 0.059,968 34,969 205.66,973 1,974 27.406,975 11.614,976 6.129,977 1.862,978 132.283,979 25.35,980 12.893,984 3.408,986 16.405,987 656.005,988 62.5,991 -3.997,993 25.786,999 67.898,1000 75.18,1001 0.294,1002 0.615,1003 0.781,1004 0.895,1005 0.902,1006 0.902,1007 5.399,1008 2.147,1009 6.282,1010 6.301,1011 4.89,1012 5.493,1013 1.242,1014 7.122,1015 4.783,1016 6.633,1017 1.645,1018 7.863,1019 6.089,1020 4.575,1021 5.453,1022 0.57,1023 8.219,1024 4.371,1025 7.971,1026 1.582,1027 9.552,1028 4.775,1029 6.547,1030 7.792,1031 0.883,1032 11.274,1033 6.333,1034 9.348,1035 1.549,1036 11.309,1037 4.598,1038 7.048,1039 8.584,1040 0.581,1041 13.222,1042 6.733,1043 10.761,1044 1.395,1045 13.111,1046 4.161,1047 8.515,1048 10.426,1049 0.68,1050 15.859,1051 8.182,1052 12.201,1053 1.383,1054 14.947,1055 3.691,1056 9.386,1057 11.603,1058 0.515,1059 18.141,1060 8.957,1061 13.662,1062 1.298,1063 16.807,1064 3.258,1065 10.662,1066 13.251,1067 0.541,1068 20.666,1069 10.199,1070 3.4,1071 1,1072 18.688,1073 3.022,1074 11.704,1075 14.611,1076 0.441,1077 23.08,1078 11.152,1079 3.165,1080 12.528,1081 20.584,1082 2.275,1083 12.913,1084 16.182,1085 0.438,1086 25.581,1087 12.311,1088 2.9,1089 10.923,1090 22.493,1091 4.71,1092 14.035,1093 17.629,1094 0.373,1095 28.049,1096 13.349,1097 2.7,1098 9.339,1099 24.413,1100 4.495,1101 15.225,1102 19.171,1103 0.358,1104 30.55,1105 14.477,1106 2.559,1107 8.238,1108 26.343,1109 3.94,1110 16.385,1111 20.661,1112 0.314,1113 33.042,1114 15.556,1115 2.411,1116 7.824,1117 28.28,1118 3.457,1119 17.573,1120 22.192,1121 0.296,1122 35.548,1123 16.675,1124 2.368,1125 7.482,1126 30.223,1127 3.403,1128 18.753,1129 23.704,1130 0.264,1131 38.052,1132 17.774,1133 28559,1134 50136,1135 31.205,1136 47.762,1137 69.497,1138 71.186,1139 70.519,1140 69.45,1141 69.288,1142 93.349,1143 3.778,1144 203.483,1145 65.483,1146 5.86,1147 6.686,1148 7.113,1149 5.387,1150 5.4,1151 7.71,1152 1.605,1153 19.921,1154 5.111,1155 17.865,1156 1.511,1157 1.548,1158 1.533,1159 1.51,1160 1.506,1161 2.029,1162 0.082,1163 4.424,1164 1.424,1165 4.136,1166 4.156,1167 4.738,1168 4.089,1169 8.201,1170 4.06,1171 4.052,1172 4.042,1173 4.085,1174 4.013,1175 7.717,1176 3.96,1177 3.912,1178 3.96,1179 3.934,1180 3.797,1181 6.999,1182 3.802,1183 3.834,1184 3.869,1185 3.835,1186 3.74,1187 5.061,1188 3.747,1189 3.72,1190 3.782,1191 3.719,1192 3.556,1193 4.957,1194 3.558,1195 3.6,1196 3.584,1197 3.631,1198 3.504,1199 4.897,1200 3.445,1201 3.394,1202 3.433,1203 3.438,1204 3.293,1205 4.584,1206 3.285,1207 3.15,1208 3.236,1209 3.168,1210 2.941,1211 4.444,1212 2.95,1213 0.106,1214 0.102,1215 0.159,1216 0.094,1217 0.074,1218 4.86,1219 0.102,1220 4.686,1221 0.02,1222 7.311,1223 0.272,1224 4.319,1225 0.068,1226 3.4,1227 4.71,1228 0.916,1229 12.528,1230 3.111,1231 2.066,1232 2.045,1233 2.131,1234 2.155,1235 1.346,1236 2.151,1237 1.955,1238 1.963,1239 2.014,1240 2.041,1241 1.23,1242 2.066,1243 1.875,1244 1.832,1245 1.964,1246 2.015,1247 1.153,1248 2.023,1249 1.796,1250 1.766,1251 1.902,1252 1.92,1253 1.043,1254 1.919,1255 1.681,1256 1.62,1257 1.823,1258 1.861,1259 0.938,1260 1.86,1261 1.443,1262 1.454,1263 1.551,1264 1.595,1265 0.825,1266 1.62,1267 1.343,1268 1.327,1269 1.513,1270 1.491,1271 0.651,1272 1.51,1273 1.153,1274 1.064,1275 1.373,1276 1.376,1277 0.536,1278 1.429,1279 4.533,1281 5.878,1283 7.421,1285 9.049,1287 10.719,1290 6.265,1291 13.305,1295 4.53,1296 2.481,1300 4.813,1305 45.751,1306 119.5,1307 249.797,1308 317.619,1309 363.673,1310 366.428,1311 366.428,1312 81.872,1313 9.206,1314 91.32,1315 99.7,1316 36,1317 13.014,1318 5,1319 4.129,1320 59.548,1321 225,1322 250,1323 0.126,1324 282.617,1325 485.31,1326 681.346,1327 168559,1328 3,1329 28.399,1330 0.693,1331 0.573,1332 28.279,1333 23.485,1334 19.853,1335 0.432,1336 0.324,1337 13.031,1338 18.108,1339 12.631,1340 10.378,1341 20.569,1342 14.91,1343 18.572,1344 0.281,1345 0.179,1346 19.622,1347 11.843,1348 15.618,1349 0.18,1350 0.101,1351 16.679,1352 8.81,1353 12.823,1354 0.113,1355 0.055,1356 13.961,1357 6.239,1358 11.102,1359 0.073,1360 0.031,1361 12.326,1362 4.638,1363 0.202,1364 135.349,1365 0.179,1366 36.985,1367 0.334,1368 224,1369 705.204,1370 296.234,1371 714.503,1372 960.8,1373 662,1374 265,1375 655.271,1376 341.915,1377 708.034,1378 1034.14,1379 664,1380 7.745}
{0 CHEMBL1914725,1 1.781,2 13,3 5.942,4 35.304,5 132.79,6 9.607,7 0.763,8 4.058,9 4.133,10 3.965,11 3.766,12 5.253,13 3.731,14 4.544,15 4.639,16 4.297,17 4.146,18 5.963,19 4.107,20 4.804,21 4.947,22 4.403,23 4.295,24 6.081,25 4.227,26 4.851,27 5.004,28 4.372,29 4.27,30 6.113,31 4.188,32 4.839,33 5.003,34 4.382,35 4.226,36 6.169,37 4.168,38 4.772,39 4.941,40 4.311,41 4.199,42 6.18,43 4.126,44 4.74,45 4.915,46 4.21,47 4.151,48 5.961,49 4.059,50 4.638,51 4.809,52 4.095,53 4.022,54 5.883,55 3.939,56 0.113,57 0.74,58 7.638,59 4.405,60 16.357,61 4.355,62 0.356,63 1.182,64 11.831,65 7.016,66 46.758,67 7.363,68 0.413,69 1.572,70 21.64,71 10.495,72 49.667,73 10.956,74 0.523,75 1.588,76 32.207,77 11.649,78 71.288,79 11.527,80 0.676,81 1.513,82 25.275,83 10.718,84 100.681,85 11.482,86 0.611,87 1.507,88 21.749,89 9.982,90 93.671,91 11.511,92 0.464,93 1.397,94 28.116,95 10.254,96 55.301,97 11.066,98 0.414,99 1.251,100 23.489,101 9.139,102 55.922,103 9.892,104 17,105 55,106 0.289,107 0.503,108 0.689,109 0.846,110 0.864,111 0.864,112 3.561,113 0.959,114 -5.11,115 -5,116 -4.68,119 51,142 14,143 5,144 3,145 2,146 1,147 1,172 17,174 1,175 5,178 2,180 1,183 21,187 9,190 1,192 4,195 22,199 10,204 3,207 16,211 2,212 9,217 2,220 16,224 8,229 2,232 19,236 1,237 9,242 1,245 16,250 6,253 1,255 2,258 11,263 5,268 2,271 11,275 2048,276 22.902,277 22.902,278 22.902,279 22.902,280 22.902,281 19.203,282 7.599,283 13.325,284 23.377,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 13.25,291 3.678,292 6.338,293 19.638,294 3.891,295 2.575,296 1.428,297 0.461,298 0.353,299 0.353,300 4.267,302 1,305 1,306 974,307 3.464,311 503.033,315 152.202,318 1.882,319 43.035,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 73.333,331 442,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.145,341 4.597,342 3.202,343 6.71,344 4.155,345 3.162,346 4.527,348 10.921,349 3.093,350 4.282,351 3.129,352 6.23,353 3.862,354 2.896,355 3.95,357 9.338,358 2.814,359 3.98,360 2.874,361 5.918,362 3.545,363 2.59,364 3.562,366 8.22,367 2.469,368 3.838,369 2.718,370 5.72,371 3.377,372 2.411,373 3.395,375 7.626,376 2.308,377 3.774,378 2.432,379 5.14,380 3.306,381 2.364,382 3.244,384 6.301,385 2.191,386 3.296,387 1.988,388 4.734,389 2.801,390 1.809,391 2.678,393 4.824,394 1.794,395 3.085,396 1.81,397 4.685,398 2.592,399 1.645,400 2.318,402 4.773,403 1.547,404 3.039,405 1.653,406 4.398,407 2.51,408 1.555,409 2.277,411 4.213,412 1.471,413 2.834,414 1.53,415 4.148,416 2.324,417 1.383,418 1.977,420 3.693,421 1.318,422 2.81,423 1.348,424 4.016,425 2.295,426 1.332,427 1.943,428 3.358,429 1.248,430 2.736,431 1.26,432 3.547,433 2.236,434 1.252,435 1.849,436 2.82,437 1.193,438 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 3.317,450 2,451 1,452 1.5,454 2.136,455 1,456 2.233,457 0.767,458 3.247,459 1.721,460 0.743,461 1.103,463 1.842,464 0.724,465 16.7,466 0.491,467 0.94,468 0.028,469 52.75,470 1.551,471 31.5,472 0.926,473 21.25,474 0.625,475 24.116,476 0.709,477 33.7,478 0.661,479 43.294,480 1.273,481 10.362,482 0.305,483 6.042,484 0.178,485 0.1,486 0.05,487 0.299,491 1,493 0.478,494 0.968,495 0.643,496 0.989,497 0.606,498 0.766,499 0.551,500 0.98,501 0.744,502 0.938,503 0.556,504 0.911,505 0.898,506 1.001,507 0.914,508 1.011,509 0.882,510 0.985,511 1.104,512 0.97,513 1.168,514 1.124,515 1.104,516 1.086,517 0.769,518 0.806,519 0.743,520 0.862,521 0.924,522 0.911,523 0.534,524 0.892,525 0.784,526 0.886,527 0.428,528 0.955,529 0.964,530 0.87,531 1.306,532 1.021,533 0.781,534 1.042,535 1.02,536 0.944,537 1.167,538 1.012,539 0.964,540 1.052,541 7.5,542 0.301,543 4.889,544 2.25,545 2.093,546 1.465,547 0.849,548 0.575,549 0.402,550 0.331,551 17118,552 55900,553 2.12,554 33.3,556 14,558 2,559 1,564 1.761,565 1.99,566 3.658,567 -0.363,573 90.841,574 1.781,575 3.098,576 4.245,577 5.211,578 5.319,579 5.319,580 3.1,581 4.418,582 5.06,583 3.794,584 2128.68,585 8.88,586 32039.4,591 289.294,592 1.501,593 5.017,594 0.197,595 0.009,596 0.089,597 0.039,598 0.039,599 0.027,600 0.016,601 0.012,602 0.01,603 0.009,604 0.448,605 0.17,606 0.75,607 0.513,608 181.515,609 0.058,610 -0.056,611 0.121,612 -0.063,613 -0.121,614 0.033,615 0.178,616 -0.055,617 -0.023,618 -0.074,619 0.162,620 -0.103,621 -0.048,622 -0.032,623 -0.024,624 -0.04,625 -0.029,626 -0.054,627 -0.158,628 -0.055,629 -0.119,630 -0.099,631 -0.132,632 -0.116,633 0.116,634 0.003,635 0.137,636 0.052,637 0.011,638 0.06,639 0.258,640 0.025,641 0.102,642 0.031,643 0.307,644 0.022,645 -0.123,646 0.007,647 -0.147,648 -0.039,649 -0.058,650 -0.04,651 -0.11,652 -0.075,653 -0.095,654 -0.048,655 -0.095,656 -0.054,657 4.897,658 5.761,659 0.824,660 34.824,661 1.018,662 1.107,663 3.876,664 15.027,665 0.754,666 3.664,667 4.025,668 4.304,669 4.564,670 4.86,671 4.942,672 5.069,673 5.209,674 5.384,675 5.481,676 7.436,677 0.728,678 489.98,679 3.664,680 5.231,681 6.094,682 6.987,683 7.868,684 8.766,685 9.653,686 10.552,687 11.443,688 12.343,689 5.9,694 1,699 2,703 2,704 16,705 2,709 8,711 29,730 2,731 51,733 31,734 3,735 38,737 55,738 26,739 26,740 6,741 12,746 5,747 6,748 1,761 26,766 2,769 1,771 2,779 1,781 17,782 6,783 1,784 8,785 2,790 3,794 0.8,795 2,805 2,812 5,816 1,840 4,842 1,845 1,846 1,848 34,852 1,855 1,869 2,870 3.9,873 2,877 17.083,878 9.269,879 7.264,880 2.874,881 5.38,882 1.64,883 1.055,884 5.847,885 13.792,886 4.016,887 4.71,888 5.314,889 5.933,890 6.57,891 6.908,892 7.385,893 7.855,894 8.36,895 8.747,896 0.889,897 58,898 12.861,900 5.955,901 7.976,902 23.494,904 19.784,905 2.476,906 84.194,910 188.338,911 190.529,912 49.976,913 39.149,914 44.313,915 14.96,916 5.807,917 184.722,918 271.799,919 64.936,922 138.475,923 117.831,924 48.983,925 57.181,926 164.795,928 188.338,929 234.698,930 59.273,931 44.956,933 203.298,934 44.313,937 20.239,938 164.483,939 55.783,940 39.149,941 203.298,942 94.289,943 229.678,945 5.807,946 188.338,947 33.96,948 150.762,949 16.405,950 131.993,951 188.338,952 109.249,953 229.678,955 0.592,956 0.345,957 0.181,958 0.107,959 28,960 12,961 0.091,962 5,963 1,964 1.071,965 4.413,966 332.337,967 0.071,968 28,969 162.974,973 1,974 22.183,975 8.962,976 4.58,977 1.791,978 109.249,979 27.268,980 8.638,984 3.108,986 16.405,987 527.265,988 54.5,991 -3.98,993 25.522,999 51.942,1000 56.439,1001 0.314,1002 0.546,1003 0.748,1004 0.919,1005 0.938,1006 0.938,1007 5.254,1008 1.645,1009 6.111,1010 4.824,1011 4.71,1012 5.398,1014 6.971,1015 4.625,1016 6.513,1017 1.555,1018 7.707,1019 4.773,1020 4.443,1021 5.4,1023 8.127,1024 4.262,1025 7.865,1026 1.383,1027 9.413,1028 4.213,1029 6.389,1030 7.752,1032 11.186,1033 6.216,1034 9.26,1035 1.332,1036 11.188,1037 3.693,1038 6.938,1039 8.57,1041 13.174,1042 6.664,1043 10.688,1044 1.252,1045 13.009,1046 3.358,1047 8.392,1048 10.42,1050 15.818,1051 8.116,1052 12.142,1053 1,1054 14.861,1055 2.82,1056 9.3,1057 11.612,1059 18.119,1060 8.93,1061 13.616,1062 1,1063 16.736,1064 2.275,1065 10.574,1066 13.265,1068 20.648,1069 10.182,1070 3.4,1071 0.743,1072 18.63,1073 2.136,1074 11.64,1075 14.633,1077 23.07,1078 11.165,1079 3.162,1080 12.528,1081 20.537,1082 1.842,1083 12.852,1084 16.207,1086 25.573,1087 12.336,1088 2.896,1089 10.921,1090 22.455,1091 4.71,1092 13.988,1093 17.659,1095 28.045,1096 13.397,1097 2.59,1098 9.338,1099 24.383,1100 4.527,1101 15.183,1102 19.202,1104 30.546,1105 14.538,1106 2.411,1107 8.22,1108 26.318,1109 3.95,1110 16.351,1111 20.695,1113 33.04,1114 15.635,1115 2.364,1116 7.626,1117 28.26,1118 3.562,1119 17.544,1120 22.229,1122 35.546,1123 16.766,1124 1.809,1125 6.301,1126 30.208,1127 3.395,1128 18.729,1129 23.742,1131 38.051,1132 17.881,1133 15955,1134 29112,1135 25.542,1136 38.46,1137 57.856,1138 59.491,1139 58.876,1140 57.673,1141 57.533,1142 81.614,1144 170.833,1145 54.967,1146 5.694,1147 6.686,1148 7.113,1149 5.375,1150 5.4,1151 7.71,1153 19.921,1154 5.145,1155 15.5,1156 1.523,1157 1.566,1158 1.549,1159 1.518,1160 1.514,1161 2.148,1163 4.496,1164 1.447,1165 4.14,1166 4.155,1167 4.738,1168 4.099,1169 8.201,1170 4.08,1171 4.057,1172 4.044,1173 4.094,1174 4.033,1175 7.717,1176 3.966,1177 3.875,1178 3.902,1179 3.943,1180 3.816,1181 6.999,1182 3.812,1183 3.782,1184 3.816,1185 3.754,1186 3.696,1187 5.064,1188 3.698,1189 3.601,1190 3.583,1191 3.719,1192 3.512,1193 4.967,1194 3.448,1195 3.386,1196 3.421,1197 3.439,1198 3.302,1199 4.715,1200 3.29,1201 3.025,1202 3.072,1203 3.155,1204 2.922,1205 4.583,1206 2.92,1207 2.86,1208 2.925,1209 2.917,1210 2.772,1211 4.436,1212 2.76,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1222 7.311,1223 0.33,1224 4.319,1225 0.083,1226 3.4,1227 4.71,1229 12.528,1230 3.145,1231 2.087,1232 2.069,1233 2.15,1234 2.152,1235 1.297,1236 2.155,1237 1.958,1238 1.967,1239 1.984,1240 2.034,1241 1.157,1242 2.065,1243 1.87,1244 1.845,1245 1.962,1246 1.948,1247 1.063,1248 1.96,1249 1.753,1250 1.723,1251 1.827,1252 1.866,1253 0.915,1254 1.866,1255 1.444,1256 1.457,1257 1.549,1258 1.591,1259 0.633,1260 1.617,1261 1.342,1262 1.331,1263 1.21,1264 1.479,1265 0.503,1266 1.5,1267 1.004,1268 0.961,1269 1.181,1270 1.152,1271 0.25,1272 1.167,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.344,1281 5.694,1283 7.246,1285 8.885,1287 10.568,1290 6.195,1291 13.204,1296 2.45,1305 37.106,1306 90.841,1307 157.991,1308 216.481,1309 265.784,1310 271.294,1311 271.294,1312 69.324,1313 8.412,1314 71.95,1315 80.33,1316 30,1317 12.867,1318 5,1319 4.129,1320 49.97,1321 152,1322 164,1323 0.159,1324 231.258,1325 395.47,1326 556.03,1327 59997,1328 3.9,1329 23.709,1330 0.697,1331 0.564,1332 23.588,1333 19.185,1334 16.404,1335 0.432,1336 0.32,1337 10.351,1338 14.939,1339 9.987,1340 8.248,1341 17.12,1342 12.152,1343 15.45,1344 0.281,1345 0.175,1346 16.499,1347 9.619,1348 12.985,1349 0.178,1350 0.097,1351 14.046,1352 7.05,1353 10.639,1354 0.112,1355 0.052,1356 11.777,1357 4.954,1358 9.212,1359 0.072,1360 0.028,1361 10.436,1362 3.626,1363 0.25,1364 112.965,1365 0.198,1366 31.318,1367 0.434,1368 186,1369 608.269,1370 252.35,1371 624.721,1372 837.8,1373 576,1374 221,1375 566.229,1376 290.865,1377 619.91,1378 905.66,1379 582,1380 6.896}
{0 CHEMBL1914726,1 1.842,2 13,3 4.791,4 22.955,5 130.633,6 9.819,7 0.763,8 4.047,9 4.123,10 3.97,11 3.739,12 5.263,13 3.713,14 4.53,15 4.628,16 4.3,17 4.117,18 5.967,19 4.088,20 4.778,21 4.915,22 4.405,23 4.268,24 6.078,25 4.21,26 4.833,27 4.984,28 4.374,29 4.244,30 6.113,31 4.17,32 4.822,33 4.985,34 4.386,35 4.194,36 6.173,37 4.147,38 4.747,39 4.917,40 4.315,41 4.16,42 6.184,43 4.099,44 4.702,45 4.87,46 4.211,47 4.116,48 5.951,49 4.034,50 4.615,51 4.785,52 4.098,53 3.99,54 5.884,55 3.917,56 0.132,57 0.769,58 6.96,59 4.256,60 17.398,61 4.009,62 0.402,63 1.219,64 10.967,65 6.688,66 50.001,67 6.62,68 0.466,69 1.571,70 19.603,71 9.932,72 52.427,73 9.918,74 0.588,75 1.585,76 30.875,77 11.225,78 75.594,79 10.724,80 0.729,81 1.517,82 23.947,83 10.266,84 104.128,85 10.641,86 0.681,87 1.511,88 20.477,89 9.408,90 97.564,91 10.468,92 0.505,93 1.362,94 26.186,95 9.643,96 56.662,97 10.045,98 0.47,99 1.246,100 22.364,101 8.715,102 59.298,103 9.122,104 17,105 55,106 0.3,107 0.53,108 0.724,109 0.867,110 0.887,111 0.887,112 3.561,113 0.948,114 -4.13,115 -4.08,116 -3.86,119 50,142 11,143 5,144 3,145 4,146 1,147 1,172 13,174 1,175 7,178 2,180 1,183 15,187 11,190 1,192 4,195 16,199 12,204 3,207 12,211 2,212 9,217 2,220 11,223 1,224 9,229 2,232 14,236 1,237 10,242 1,245 11,250 6,253 1,255 2,258 8,262 1,263 4,268 1,271 10,275 2048,276 22.902,277 22.902,278 22.902,279 22.902,280 22.902,281 19.203,282 7.599,283 13.325,284 23.442,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 13.25,291 3.678,292 6.338,293 19.732,294 3.802,295 2.388,296 1.201,297 0.32,298 0.2,299 0.2,300 4.267,302 1,305 1,306 974,307 3.464,311 503.033,315 152.202,318 1.882,319 45.194,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 73.833,331 442,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.143,341 4.597,342 3.202,343 6.71,344 4.154,345 3.162,346 4.527,348 10.921,349 3.093,350 4.282,351 3.129,352 6.23,353 3.862,354 2.896,355 3.95,357 9.338,358 2.812,359 3.98,360 2.874,361 5.918,362 3.542,363 2.59,364 3.562,366 8.22,367 2.459,368 3.838,369 2.718,370 5.72,371 3.374,372 2.411,373 3.395,375 7.626,376 2.305,377 3.774,378 2.432,379 5.14,380 3.305,381 2.364,382 3.244,384 6.301,385 2.189,386 3.296,387 1.988,388 4.734,389 2.781,390 1.809,391 2.678,393 4.824,394 1.758,395 3.085,396 1.81,397 4.685,398 2.592,399 1.645,400 2.318,402 4.773,403 1.547,404 3.039,405 1.653,406 4.398,407 2.51,408 1.555,409 2.277,411 4.213,412 1.471,413 2.834,414 1.53,415 4.148,416 2.317,417 1.383,418 1.977,420 3.693,421 1.307,422 2.81,423 1.348,424 4.016,425 2.292,426 1.332,427 1.943,428 3.358,429 1.234,430 2.736,431 1.26,432 3.547,433 2.225,434 1.252,435 1.849,436 2.82,437 1.19,438 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 3.317,450 1.956,451 1,452 1.5,454 2.136,455 0.954,456 2.233,457 0.767,458 3.247,459 1.718,460 0.743,461 1.103,463 1.842,464 0.721,465 16.6,466 0.488,467 0.94,468 0.028,469 53.25,470 1.566,471 31.5,472 0.926,473 21.75,474 0.64,475 23.824,476 0.701,477 33.8,478 0.676,479 43.586,480 1.282,481 10.443,482 0.307,483 5.961,484 0.175,485 0.1,486 0.05,487 0.301,491 1,493 0.502,494 1.022,495 0.637,496 1.013,497 0.609,498 0.769,499 0.601,500 0.972,501 0.749,502 0.912,503 0.574,504 0.882,505 0.923,506 1.014,507 0.934,508 1.028,509 0.903,510 1.002,511 1.116,512 0.972,513 1.186,514 1.137,515 1.117,516 1.1,517 0.795,518 0.831,519 0.75,520 0.87,521 0.938,522 0.918,523 0.568,524 0.862,525 0.793,526 0.861,527 0.446,528 0.935,529 0.985,530 0.892,531 1.341,532 1.046,533 0.803,534 1.063,535 1.046,536 0.955,537 1.189,538 1.019,539 0.983,540 1.061,541 7.5,542 0.301,543 4.889,544 2.25,545 2.093,546 1.465,547 0.849,548 0.575,549 0.402,550 0.331,551 17118,552 58136,553 2.12,554 32,556 11,558 4,559 1,564 1.761,565 1.99,566 3.658,567 -0.334,573 92.096,574 1.842,575 3.256,576 4.443,577 5.324,578 5.444,579 5.444,580 3.1,581 4.418,582 5.06,583 3.794,584 2128.68,585 8.88,586 32039.4,591 282.193,592 1.501,593 5.017,594 0.197,595 0.009,596 0.089,597 0.039,598 0.039,599 0.027,600 0.016,601 0.012,602 0.01,603 0.009,604 0.448,605 0.33,606 0.75,607 0.513,608 181.515,609 0.046,610 -0.091,611 0.118,612 -0.081,613 -0.119,614 0.023,615 0.141,616 -0.029,617 -0.031,618 -0.046,619 0.15,620 -0.081,621 -0.071,622 -0.043,623 -0.048,624 -0.054,625 -0.043,626 -0.076,627 -0.176,628 -0.064,629 -0.131,630 -0.103,631 -0.143,632 -0.123,633 0.093,634 -0.024,635 0.138,636 0.047,637 0.001,638 0.061,639 0.247,640 0.064,641 0.102,642 0.057,643 0.304,644 0.043,645 -0.14,646 -0.022,647 -0.171,648 -0.058,649 -0.068,650 -0.059,651 -0.131,652 -0.09,653 -0.106,654 -0.05,655 -0.106,656 -0.055,657 4.904,658 5.755,659 0.824,660 34.824,661 1.023,662 1.11,663 2.905,664 8.438,665 0.754,666 3.664,667 4.025,668 4.304,669 4.564,670 4.86,671 4.942,672 5.069,673 5.209,674 5.384,675 5.481,676 7.436,677 0.732,678 490.97,679 3.664,680 5.231,681 6.094,682 6.987,683 7.868,684 8.766,685 9.653,686 10.552,687 11.443,688 12.343,689 8,694 1,699 3,703 2,704 15,705 3,709 8,711 29,730 2,731 50,733 31,734 2,735 38,737 54,738 25,739 25,740 5,741 7,746 5,747 6,748 1,761 25,766 2,769 1,771 2,779 1,781 16,782 7,783 1,784 9,785 2,790 4,794 0.8,795 2,805 3,812 5,816 1,840 4,842 1,845 1,846 1,848 34,852 1,855 1,869 2,870 4,873 2,877 17.083,878 9.136,879 7.264,880 2.785,881 5.38,882 1.64,883 1.052,884 5.806,885 13.792,886 4.016,887 4.71,888 5.314,889 5.933,890 6.57,891 6.908,892 7.385,893 7.855,894 8.36,895 8.747,896 0.889,897 58,898 12.85,900 5.952,901 8.006,902 23.364,904 19.6,905 2.506,906 85.194,910 176.567,911 180.196,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 174.388,918 260.028,919 81.722,922 110.046,923 158.159,924 67.078,925 57.181,926 129.482,928 176.567,929 241.15,930 59.273,931 44.956,933 191.527,934 44.313,937 38.334,938 136.054,939 72.569,940 39.149,941 191.527,942 111.075,943 219.344,945 5.807,946 176.567,947 33.96,948 140.428,949 16.405,950 148.778,951 176.567,952 126.035,953 219.344,955 0.592,956 0.345,957 0.181,958 0.107,959 28,960 12,961 0.093,962 5,963 1,964 1.071,965 4.413,966 332.337,967 0.071,968 28,969 166.974,973 1,974 22.121,975 8.924,976 4.557,977 1.723,978 126.035,979 24.439,980 12.81,984 2.87,986 16.405,987 521.945,988 54.5,991 -3.987,993 25.51,999 51.16,1000 55.522,1001 0.326,1002 0.577,1003 0.787,1004 0.943,1005 0.965,1006 0.965,1007 5.254,1008 1.645,1009 6.111,1010 4.824,1011 4.71,1012 5.398,1014 6.971,1015 4.617,1016 6.513,1017 1.555,1018 7.707,1019 4.773,1020 4.443,1021 5.4,1023 8.127,1024 4.262,1025 7.865,1026 1.383,1027 9.413,1028 4.213,1029 6.389,1030 7.752,1032 11.186,1033 6.207,1034 9.26,1035 1.332,1036 11.188,1037 3.693,1038 6.938,1039 8.57,1041 13.174,1042 6.663,1043 10.688,1044 1.252,1045 13.009,1046 3.358,1047 8.392,1048 10.42,1050 15.818,1051 8.107,1052 12.142,1053 1,1054 14.861,1055 2.82,1056 9.3,1057 11.612,1059 18.119,1060 8.927,1061 13.616,1062 1,1063 16.736,1064 2.275,1065 10.574,1066 13.265,1068 20.648,1069 10.174,1070 3.4,1071 0.743,1072 18.63,1073 2.136,1074 11.64,1075 14.633,1077 23.07,1078 11.161,1079 3.162,1080 12.528,1081 20.537,1082 1.842,1083 12.852,1084 16.207,1086 25.573,1087 12.329,1088 2.896,1089 10.921,1090 22.455,1091 4.71,1092 13.988,1093 17.659,1095 28.045,1096 13.392,1097 2.59,1098 9.338,1099 24.383,1100 4.527,1101 15.183,1102 19.202,1104 30.546,1105 14.531,1106 2.411,1107 8.22,1108 26.318,1109 3.95,1110 16.351,1111 20.695,1113 33.04,1114 15.629,1115 2.364,1116 7.626,1117 28.26,1118 3.562,1119 17.544,1120 22.229,1122 35.546,1123 16.76,1124 1.809,1125 6.301,1126 30.208,1127 3.395,1128 18.729,1129 23.742,1131 38.051,1132 17.874,1133 15955,1134 29652,1135 25.542,1136 37.705,1137 57.856,1138 59.491,1139 58.876,1140 57.651,1141 57.533,1142 81.614,1144 170.833,1145 54.702,1146 5.694,1147 6.686,1148 7.113,1149 5.375,1150 5.4,1151 7.71,1153 19.921,1154 5.143,1155 15.5,1156 1.523,1157 1.566,1158 1.549,1159 1.517,1160 1.514,1161 2.148,1163 4.496,1164 1.44,1165 4.138,1166 4.153,1167 4.738,1168 4.095,1169 8.201,1170 4.075,1171 4.056,1172 4.044,1173 4.092,1174 4.029,1175 7.717,1176 3.965,1177 3.862,1178 3.894,1179 3.942,1180 3.781,1181 6.999,1182 3.785,1183 3.764,1184 3.804,1185 3.736,1186 3.66,1187 5.068,1188 3.665,1189 3.6,1190 3.583,1191 3.719,1192 3.51,1193 4.983,1194 3.446,1195 3.383,1196 3.419,1197 3.436,1198 3.291,1199 4.842,1200 3.282,1201 3.02,1202 3.067,1203 3.153,1204 2.915,1205 4.583,1206 2.913,1207 2.86,1208 2.925,1209 2.911,1210 2.77,1211 4.437,1212 2.758,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1222 7.311,1223 0.33,1224 4.319,1225 0.083,1226 3.4,1227 4.71,1229 12.528,1230 3.143,1231 2.082,1232 2.063,1233 2.141,1234 2.151,1235 1.288,1236 2.152,1237 1.957,1238 1.966,1239 1.966,1240 2.034,1241 1.156,1242 2.064,1243 1.836,1244 1.809,1245 1.927,1246 1.939,1247 1.009,1248 1.94,1249 1.726,1250 1.691,1251 1.81,1252 1.857,1253 0.87,1254 1.853,1255 1.439,1256 1.453,1257 1.543,1258 1.59,1259 0.616,1260 1.616,1261 1.339,1262 1.323,1263 1.209,1264 1.477,1265 0.5,1266 1.498,1267 0.999,1268 0.955,1269 1.181,1270 1.148,1271 0.248,1272 1.164,1273 0.886,1274 0.821,1275 1.157,1276 1.062,1277 0.218,1278 1.107,1279 4.344,1281 5.694,1283 7.246,1285 8.885,1287 10.568,1290 6.188,1291 13.2,1296 2.442,1305 36.601,1306 92.096,1307 162.781,1308 222.139,1309 266.193,1310 272.193,1311 272.193,1312 69.703,1313 8.412,1314 84.84,1315 93.22,1316 30,1317 12.867,1318 5,1319 4.129,1320 49.97,1321 152,1322 164,1323 0.159,1324 228.46,1325 389.17,1326 549.203,1327 59997,1328 4,1329 23.709,1330 0.697,1331 0.56,1332 23.588,1333 19.055,1334 16.404,1335 0.432,1336 0.316,1337 10.183,1338 14.864,1339 9.832,1340 8.114,1341 17.12,1342 12.002,1343 15.45,1344 0.281,1345 0.173,1346 16.499,1347 9.494,1348 12.985,1349 0.178,1350 0.095,1351 14.046,1352 6.937,1353 10.639,1354 0.112,1355 0.051,1356 11.777,1357 4.859,1358 9.212,1359 0.072,1360 0.028,1361 10.436,1362 3.542,1363 0.25,1364 113.465,1365 0.198,1366 31.318,1367 0.434,1368 186,1369 627.914,1370 253.738,1371 641.961,1372 859.2,1373 592,1374 221,1375 580.342,1376 292.364,1377 633.551,1378 924.22,1379 594,1380 7.921}
{0 CHEMBL1914727,1 1.842,2 13,3 4.791,4 22.955,5 130.633,6 9.819,7 0.763,8 4.047,9 4.123,10 3.97,11 3.739,12 5.263,13 3.713,14 4.53,15 4.628,16 4.3,17 4.117,18 5.968,19 4.088,20 4.777,21 4.916,22 4.403,23 4.271,24 6.075,25 4.212,26 4.831,27 4.978,28 4.373,29 4.255,30 6.108,31 4.178,32 4.834,33 4.999,34 4.385,35 4.209,36 6.173,37 4.157,38 4.761,39 4.933,40 4.316,41 4.168,42 6.186,43 4.105,44 4.715,45 4.889,46 4.214,47 4.11,48 5.966,49 4.03,50 4.595,51 4.759,52 4.096,53 3.983,54 5.872,55 3.912,56 0.132,57 0.769,58 6.96,59 4.256,60 17.398,61 4.009,62 0.402,63 1.219,64 10.967,65 6.688,66 49.683,67 6.62,68 0.472,69 1.57,70 19.695,71 9.917,72 53.72,73 9.869,74 0.571,75 1.572,76 30.318,77 11.25,78 73.573,79 10.808,80 0.726,81 1.523,82 24.466,83 10.569,84 104.203,85 11.164,86 0.667,87 1.519,88 20.999,89 9.669,90 96.755,91 10.868,92 0.546,93 1.398,94 27.026,95 9.68,96 60.589,97 10.031,98 0.453,99 1.219,100 21.57,101 8.527,102 57.567,103 8.89,104 17,105 55,106 0.3,107 0.53,108 0.712,109 0.843,110 0.861,111 0.861,112 3.561,113 0.948,114 -4.13,115 -4.08,116 -3.86,119 50,142 11,143 5,144 3,145 4,146 1,147 1,172 13,174 1,175 7,178 2,180 1,183 16,187 10,190 1,192 4,195 17,199 11,204 3,207 11,211 2,212 11,217 2,220 12,224 7,229 2,232 14,236 2,237 10,242 1,245 10,250 8,253 1,255 2,258 7,263 4,268 2,271 10,275 2048,276 22.902,277 22.902,278 22.902,279 22.902,280 22.902,281 19.203,282 7.599,283 13.325,284 23.45,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 13.25,291 3.678,292 6.338,293 19.738,294 3.802,295 2.388,296 1.271,297 0.47,298 0.36,299 0.36,300 4.267,302 1,305 1,306 974,307 3.464,311 503.033,315 152.202,318 1.882,319 44.965,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 73.833,331 442,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,339 12.528,340 3.144,341 4.597,342 3.202,343 6.71,344 4.154,345 3.162,346 4.527,348 10.921,349 3.093,350 4.282,351 3.129,352 6.23,353 3.862,354 2.896,355 3.95,357 9.338,358 2.813,359 3.98,360 2.874,361 5.918,362 3.543,363 2.59,364 3.562,366 8.22,367 2.463,368 3.838,369 2.718,370 5.72,371 3.375,372 2.411,373 3.395,375 7.626,376 2.306,377 3.774,378 2.432,379 5.14,380 3.305,381 2.364,382 3.244,384 6.301,385 2.19,386 3.296,387 1.988,388 4.734,389 2.777,390 1.809,391 2.678,393 4.824,394 1.751,395 3.085,396 1.81,397 4.685,398 2.592,399 1.645,400 2.318,402 4.773,403 1.547,404 3.039,405 1.653,406 4.398,407 2.51,408 1.555,409 2.277,411 4.213,412 1.471,413 2.834,414 1.53,415 4.148,416 2.313,417 1.383,418 1.977,420 3.693,421 1.3,422 2.81,423 1.348,424 4.016,425 2.29,426 1.332,427 1.943,428 3.358,429 1.219,430 2.736,431 1.26,432 3.547,433 2.211,434 1.252,435 1.849,436 2.82,437 1.183,438 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 3.317,450 1.984,451 1,452 1.5,454 2.136,455 0.983,456 2.233,457 0.767,458 3.247,459 1.714,460 0.743,461 1.103,463 1.842,464 0.718,465 16.6,466 0.488,467 0.94,468 0.028,469 53.25,470 1.566,471 31.5,472 0.926,473 21.75,474 0.64,475 23.84,476 0.701,477 33.8,478 0.676,479 43.571,480 1.281,481 10.443,482 0.307,483 5.961,484 0.175,485 0.1,486 0.05,487 0.301,491 1,493 0.502,494 1.022,495 0.637,496 1.013,497 0.609,498 0.769,499 0.601,500 0.972,501 0.749,502 0.912,503 0.573,504 0.882,505 0.93,506 0.983,507 0.937,508 1.009,509 0.906,510 0.988,511 1.094,512 0.971,513 1.191,514 1.16,515 1.111,516 1.129,517 0.76,518 0.816,519 0.742,520 0.878,521 0.917,522 0.931,523 0.562,524 0.912,525 0.786,526 0.887,527 0.438,528 0.955,529 0.999,530 0.84,531 1.336,532 1.001,533 0.806,534 1.026,535 1.048,536 0.973,537 1.198,538 1.037,539 0.996,540 1.072,541 7.5,542 0.301,543 4.889,544 2.25,545 2.093,546 1.465,547 0.849,548 0.575,549 0.402,550 0.331,551 17118,552 58368,553 2.12,554 32,556 11,558 4,559 1,564 1.761,565 1.99,566 3.658,567 -0.334,573 92.096,574 1.842,575 3.256,576 4.373,577 5.174,578 5.284,579 5.284,580 3.1,581 4.418,582 5.06,583 3.794,584 2128.68,585 8.88,586 32039.4,591 282.193,592 1.501,593 5.017,594 0.197,595 0.009,596 0.089,597 0.039,598 0.039,599 0.027,600 0.016,601 0.012,602 0.01,603 0.009,604 0.448,605 0.33,606 0.75,607 0.513,608 181.515,609 0.046,610 -0.091,611 0.118,612 -0.081,613 -0.119,614 0.023,615 0.141,616 -0.029,617 -0.031,618 -0.046,619 0.152,620 -0.081,621 -0.078,622 -0.011,623 -0.052,624 -0.034,625 -0.046,626 -0.062,627 -0.168,628 -0.072,629 -0.144,630 -0.126,631 -0.143,632 -0.152,633 0.109,634 -0.023,635 0.146,636 0.046,637 0.009,638 0.063,639 0.239,640 0.002,641 0.112,642 0.036,643 0.303,644 0.036,645 -0.137,646 0.045,647 -0.16,648 -0.015,649 -0.068,650 -0.021,651 -0.13,652 -0.109,653 -0.117,654 -0.071,655 -0.111,656 -0.076,657 4.903,658 5.756,659 0.824,660 34.824,661 1.023,662 1.11,663 2.905,664 8.438,665 0.754,666 3.664,667 4.025,668 4.304,669 4.564,670 4.86,671 4.942,672 5.069,673 5.209,674 5.384,675 5.481,676 7.436,677 0.732,678 490.97,679 3.664,680 5.231,681 6.094,682 6.987,683 7.868,684 8.766,685 9.653,686 10.552,687 11.443,688 12.343,689 8,694 1,699 3,703 2,704 15,705 3,709 8,711 29,730 2,731 50,733 31,734 2,735 38,737 54,738 25,739 25,740 5,741 7,746 5,747 6,748 1,761 25,766 2,769 1,771 2,779 1,781 16,782 7,783 1,784 9,785 2,790 4,794 0.8,795 2,805 3,812 5,816 1,840 4,842 1,845 1,846 1,848 34,852 1,855 1,869 2,870 4,873 2,877 17.083,878 9.136,879 7.264,880 2.785,881 5.38,882 1.64,883 1.052,884 5.806,885 13.792,886 4.016,887 4.71,888 5.314,889 5.933,890 6.57,891 6.908,892 7.385,893 7.855,894 8.36,895 8.747,896 0.889,897 58,898 12.848,900 5.949,901 8.006,902 23.364,904 19.6,905 2.506,906 85.194,910 176.567,911 180.196,912 66.762,913 39.149,914 44.313,915 14.96,916 5.807,917 174.388,918 260.028,919 81.722,922 110.046,923 158.159,924 67.078,925 57.181,926 129.482,928 176.567,929 241.15,930 59.273,931 44.956,933 191.527,934 44.313,937 38.334,938 136.054,939 72.569,940 39.149,941 191.527,942 111.075,943 219.344,945 5.807,946 176.567,947 33.96,948 140.428,949 16.405,950 148.778,951 176.567,952 126.035,953 219.344,955 0.592,956 0.345,957 0.181,958 0.107,959 28,960 12,961 0.093,962 5,963 1,964 1.071,965 4.413,966 332.337,967 0.071,968 28,969 162.974,973 1,974 22.121,975 8.924,976 4.557,977 1.742,978 126.035,979 24.448,980 12.692,984 2.954,986 16.405,987 521.945,988 54.5,991 -3.986,993 25.512,999 51.16,1000 55.522,1001 0.326,1002 0.577,1003 0.775,1004 0.917,1005 0.936,1006 0.936,1007 5.254,1008 1.645,1009 6.111,1010 4.824,1011 4.71,1012 5.398,1014 6.971,1015 4.617,1016 6.513,1017 1.555,1018 7.707,1019 4.773,1020 4.443,1021 5.4,1023 8.127,1024 4.262,1025 7.865,1026 1.383,1027 9.413,1028 4.213,1029 6.389,1030 7.752,1032 11.186,1033 6.207,1034 9.26,1035 1.332,1036 11.188,1037 3.693,1038 6.938,1039 8.57,1041 13.174,1042 6.664,1043 10.688,1044 1.252,1045 13.009,1046 3.358,1047 8.392,1048 10.42,1050 15.818,1051 8.109,1052 12.142,1053 1,1054 14.861,1055 2.82,1056 9.3,1057 11.612,1059 18.119,1060 8.929,1061 13.616,1062 1,1063 16.736,1064 2.275,1065 10.574,1066 13.265,1068 20.648,1069 10.176,1070 3.4,1071 0.743,1072 18.63,1073 2.136,1074 11.64,1075 14.633,1077 23.07,1078 11.163,1079 3.162,1080 12.528,1081 20.537,1082 1.842,1083 12.852,1084 16.207,1086 25.573,1087 12.332,1088 2.896,1089 10.921,1090 22.455,1091 4.71,1092 13.988,1093 17.659,1095 28.045,1096 13.395,1097 2.59,1098 9.338,1099 24.383,1100 4.527,1101 15.183,1102 19.202,1104 30.546,1105 14.535,1106 2.411,1107 8.22,1108 26.318,1109 3.95,1110 16.351,1111 20.695,1113 33.04,1114 15.633,1115 2.364,1116 7.626,1117 28.26,1118 3.562,1119 17.544,1120 22.229,1122 35.546,1123 16.763,1124 1.809,1125 6.301,1126 30.208,1127 3.395,1128 18.729,1129 23.742,1131 38.051,1132 17.878,1133 15955,1134 29708,1135 25.542,1136 37.705,1137 57.856,1138 59.491,1139 58.876,1140 57.654,1141 57.533,1142 81.614,1144 170.833,1145 54.698,1146 5.694,1147 6.686,1148 7.113,1149 5.375,1150 5.4,1151 7.71,1153 19.921,1154 5.144,1155 15.5,1156 1.523,1157 1.566,1158 1.549,1159 1.517,1160 1.514,1161 2.148,1163 4.496,1164 1.439,1165 4.138,1166 4.153,1167 4.738,1168 4.096,1169 8.201,1170 4.076,1171 4.056,1172 4.044,1173 4.092,1174 4.029,1175 7.717,1176 3.965,1177 3.862,1178 3.894,1179 3.942,1180 3.783,1181 6.999,1182 3.786,1183 3.763,1184 3.803,1185 3.736,1186 3.657,1187 5.068,1188 3.662,1189 3.6,1190 3.582,1191 3.719,1192 3.509,1193 4.981,1194 3.445,1195 3.38,1196 3.417,1197 3.435,1198 3.284,1199 4.849,1200 3.276,1201 3.006,1202 3.054,1203 3.152,1204 2.897,1205 4.583,1206 2.895,1207 2.854,1208 2.925,1209 2.9,1210 2.752,1211 4.438,1212 2.743,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1222 7.311,1223 0.33,1224 4.319,1225 0.083,1226 3.4,1227 4.71,1229 12.528,1230 3.144,1231 2.083,1232 2.064,1233 2.142,1234 2.151,1235 1.29,1236 2.152,1237 1.957,1238 1.966,1239 1.966,1240 2.034,1241 1.156,1242 2.064,1243 1.837,1244 1.81,1245 1.926,1246 1.939,1247 1.012,1248 1.94,1249 1.723,1250 1.688,1251 1.806,1252 1.856,1253 0.866,1254 1.851,1255 1.436,1256 1.452,1257 1.537,1258 1.589,1259 0.603,1260 1.615,1261 1.335,1262 1.317,1263 1.2,1264 1.476,1265 0.496,1266 1.496,1267 0.978,1268 0.934,1269 1.181,1270 1.134,1271 0.228,1272 1.146,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.344,1281 5.694,1283 7.246,1285 8.885,1287 10.568,1290 6.189,1291 13.2,1296 2.443,1305 36.601,1306 92.096,1307 162.781,1308 218.629,1309 258.683,1310 264.193,1311 264.193,1312 69.428,1313 8.412,1314 84.84,1315 93.22,1316 30,1317 12.867,1318 5,1319 4.129,1320 49.97,1321 152,1322 164,1323 0.159,1324 228.46,1325 389.17,1326 549.203,1327 59997,1328 4,1329 23.709,1330 0.697,1331 0.56,1332 23.588,1333 19.055,1334 16.404,1335 0.432,1336 0.316,1337 10.183,1338 14.86,1339 9.833,1340 8.112,1341 17.12,1342 12.002,1343 15.45,1344 0.281,1345 0.173,1346 16.499,1347 9.489,1348 12.985,1349 0.178,1350 0.095,1351 14.046,1352 6.956,1353 10.639,1354 0.112,1355 0.051,1356 11.777,1357 4.868,1358 9.212,1359 0.072,1360 0.028,1361 10.436,1362 3.547,1363 0.25,1364 113.465,1365 0.198,1366 31.318,1367 0.434,1368 186,1369 627.914,1370 253.738,1371 641.83,1372 859.16,1373 592,1374 221,1375 580.342,1376 292.198,1377 633.255,1378 923.78,1379 594,1380 8.31}
{0 CHEMBL1914728,1 1.769,2 14.378,3 6.104,4 37.258,5 147.219,6 9.035,7 0.707,8 4.19,9 4.28,10 4.037,11 3.849,12 5.352,13 3.814,14 4.695,15 4.826,16 4.373,17 4.234,18 6.039,19 4.195,20 4.928,21 5.073,22 4.489,23 4.413,24 6.174,25 4.343,26 5.047,27 5.225,28 4.453,29 4.423,30 6.238,31 4.324,32 5.039,33 5.235,34 4.437,35 4.363,36 6.27,37 4.279,38 4.919,39 5.117,40 4.373,41 4.293,42 6.24,43 4.21,44 4.828,45 4.996,46 4.32,47 4.257,48 6.032,49 4.176,50 4.817,51 4.983,52 4.26,53 4.219,54 6.027,55 4.138,56 0.111,57 0.904,58 10.475,59 5.331,60 16.848,61 5.718,62 0.429,63 1.453,64 18.729,65 8.595,66 54.332,67 9.637,68 0.386,69 1.823,70 25.82,71 12.019,72 48.721,73 13.137,74 0.54,75 1.925,76 40.639,77 14.504,78 75.689,79 15.983,80 0.713,81 1.835,82 35.382,83 13.88,84 107.7,85 16.5,86 0.641,87 1.728,88 30.031,89 12.229,90 105.768,91 15.131,92 0.426,93 1.551,94 30.403,95 10.976,96 54.209,97 12.295,98 0.402,99 1.536,100 26.977,101 10.712,102 51.893,103 12.18,104 38,105 60,106 0.28,107 0.555,108 0.711,109 0.829,110 0.837,111 0.837,112 3.642,113 0.964,114 -4.73,115 -4.64,116 -4.36,119 47.5,124 2,142 13,143 5,144 4,145 2,146 1,147 1,172 15,174 1,175 7,178 2,180 1,183 19,187 11,190 1,192 4,195 21,199 11,204 3,207 15,211 2,212 10,217 2,220 14,224 10,229 2,232 18,236 1,237 9,242 1,245 14,249 1,250 8,253 1,255 2,258 9,263 7,268 2,271 10,275 2656,276 24.557,277 24.557,278 24.557,279 24.557,280 24.557,281 20.909,282 14.115,283 14.046,284 25.141,285 20.197,286 20.197,287 20.197,288 20.197,289 20.197,290 14.657,291 13.463,292 6.634,293 21.236,294 4.114,295 2.377,296 1.396,297 0.649,298 0.602,299 0.602,300 4.344,302 1,305 1,306 1156,307 3.937,311 561.533,315 171.253,318 2.118,319 44.055,322 0.75,323 0.83,324 0.83,325 0.5,327 0.83,328 1,329 0.68,330 79.833,331 532,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.71,338 0.8,339 12.528,340 3.148,341 4.599,342 3.204,343 6.711,344 4.158,345 3.166,346 4.529,348 10.924,349 3.093,350 4.286,351 3.137,352 6.231,353 3.871,354 2.904,355 3.952,357 9.34,358 2.824,359 4.095,360 2.963,361 5.951,362 3.7,363 2.748,364 3.702,366 8.321,367 2.62,368 3.879,369 2.874,370 5.896,371 3.492,372 2.547,373 3.4,375 8.107,376 2.385,377 3.818,378 2.701,379 5.695,380 3.344,381 2.39,382 3.297,384 7.523,385 2.28,386 3.695,387 2.394,388 5.14,389 3.284,390 2.33,391 3.086,393 6.301,394 2.179,395 3.105,396 1.987,397 4.734,398 2.646,399 1.668,400 2.366,402 4.777,403 1.63,404 3.085,405 1.732,406 4.666,407 2.592,408 1.645,409 2.312,411 4.716,412 1.547,413 3.036,414 1.653,415 4.396,416 2.51,417 1.554,418 2.273,420 4.192,421 1.47,422 2.832,423 1.529,424 4.148,425 2.306,426 1.383,427 1.964,428 3.692,429 1.288,430 2.789,431 1.353,432 4.015,433 2.278,434 1.31,435 1.922,436 3.312,437 1.202,438 2.5,439 1.287,440 3.727,441 2.143,442 1.183,443 1.5,445 2.814,446 1.131,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.464,457 1,458 3.414,459 2,460 1,461 1.456,463 2.275,464 1,465 18.1,466 0.489,467 1.136,468 0.031,469 55.5,470 1.5,471 32,472 0.865,473 23.5,474 0.635,475 28.743,476 0.777,477 37.7,478 0.639,479 47.911,480 1.295,481 10.94,482 0.296,483 6.769,484 0.183,485 0.147,486 0.046,487 0.326,491 1,493 0.513,494 1.104,495 0.662,496 1.046,497 0.611,498 0.834,499 0.646,500 0.901,501 0.719,502 0.806,503 0.539,504 0.774,505 0.908,506 1.052,507 0.928,508 1.048,509 0.879,510 1.024,511 1.009,512 0.961,513 1.093,514 1.105,515 1.023,516 1.084,517 0.685,518 0.817,519 0.718,520 0.881,521 0.852,522 0.928,523 0.509,524 0.862,525 0.715,526 0.826,527 0.409,528 0.857,529 0.998,530 0.923,531 1.264,532 1.01,533 0.801,534 0.995,535 0.963,536 0.991,537 1.116,538 1.045,539 0.911,540 1.083,541 9,542 0.384,543 5.778,544 2.563,545 2.364,546 1.701,547 1.011,548 0.74,549 0.534,550 0.446,551 21481,552 66999,553 2.077,554 37.3,556 19,558 2,559 1,564 1.782,565 1.922,566 3.788,567 -0.365,573 104.363,574 1.769,575 3.506,576 4.487,577 5.234,578 5.281,579 5.281,580 3.247,581 4.777,582 5.179,583 3.942,584 2625.23,585 9.118,586 42472.2,591 347.076,592 1.599,593 5.125,594 0.22,595 0.01,596 0.096,597 0.04,598 0.041,599 0.03,600 0.018,601 0.014,602 0.011,603 0.01,604 0.489,605 0.17,606 0.75,607 0.707,608 203.78,609 0.053,610 -0.118,611 0.126,612 -0.077,613 -0.123,614 0.016,615 0.135,616 0.088,617 0.055,618 0.098,619 0.183,620 0.089,621 -0.061,622 -0.051,623 -0.061,624 -0.078,625 -0.029,626 -0.107,627 -0.117,628 -0.053,629 -0.079,630 -0.085,631 -0.102,632 -0.098,633 0.144,634 -0.015,635 0.167,636 0.053,637 0.039,638 0.077,639 0.274,640 0.05,641 0.189,642 0.116,643 0.328,644 0.146,645 -0.134,646 -0.009,647 -0.144,648 -0.042,649 -0.059,650 -0.044,651 -0.09,652 -0.094,653 -0.131,654 -0.113,655 -0.087,656 -0.138,657 4.91,658 5.824,659 0.757,660 42.89,661 1.014,662 1.115,663 3.495,664 12.218,665 0.729,666 3.738,667 4.111,668 4.382,669 4.625,670 4.92,671 5.037,672 5.176,673 5.313,674 5.497,675 5.613,676 8.129,677 0.698,678 533.06,679 3.738,680 5.313,681 6.176,682 7.071,683 7.951,684 8.848,685 9.735,686 10.634,687 11.524,688 12.425,689 6.8,694 1,695 1,699 2,703 2,704 15,705 2,709 9,711 29,726 1,730 2,731 59,733 31,734 3,735 41,737 63,738 28,739 26,740 7,741 11,746 5,747 6,748 1,761 26,762 2,766 2,769 1,771 2,779 1,781 22,782 7,783 1,784 9,785 2,790 4,794 0.8,795 2,805 2,812 5,816 1,840 4,842 1,844 2,845 1,846 1,848 37,852 1,855 1,859 1,869 2,870 3.4,873 2,877 19.25,878 11.386,879 7.875,880 3.269,881 5.465,882 1.63,883 1.034,884 6.762,885 14.141,886 4.069,887 4.762,888 5.365,889 5.973,890 6.612,891 6.975,892 7.455,893 7.923,894 8.437,895 8.844,896 0.9,897 64,898 13.975,900 6.379,901 7.929,902 25.683,904 21.427,905 2.429,906 89.861,910 247.193,911 200.603,912 53.1,913 39.149,914 44.313,915 14.96,916 5.807,917 194.795,918 330.655,919 68.06,920 16.793,922 128.999,923 117.831,924 54.864,925 57.181,926 223.651,928 247.193,929 247.896,930 59.273,931 44.956,933 262.153,934 44.313,937 20.239,938 177.681,939 55.783,940 39.149,941 262.153,942 97.413,943 239.751,945 5.807,946 247.193,947 36.716,948 161.203,949 16.405,950 131.993,951 247.193,952 112.373,953 239.751,955 0.599,956 0.347,957 0.174,958 0.101,959 30,960 14,961 0.095,962 6,963 1,964 1.071,965 4.61,966 370.313,967 0.071,968 28,969 180.75,973 1,974 25.007,975 10.006,976 5.244,977 1.776,978 112.373,979 25.589,980 8.697,984 4.169,986 16.405,987 599.318,988 57.5,991 -3.993,993 25.648,999 59.811,1000 65.768,1001 0.301,1002 0.596,1003 0.763,1004 0.89,1005 0.898,1006 0.898,1007 5.319,1008 1.668,1009 6.205,1010 6.301,1011 4.796,1012 5.451,1013 0.673,1014 7.066,1015 4.704,1016 6.582,1017 1.645,1018 7.806,1019 4.777,1020 4.575,1021 5.485,1022 0.325,1023 8.215,1024 4.391,1025 7.936,1026 1.554,1027 9.514,1028 4.716,1029 6.482,1030 7.8,1031 0.379,1032 11.26,1033 6.301,1034 9.33,1035 1.383,1036 11.287,1037 4.192,1038 7.048,1039 8.63,1040 0.268,1041 13.228,1042 6.771,1043 10.758,1044 1.31,1045 13.102,1046 3.692,1047 8.48,1048 10.461,1049 0.239,1050 15.861,1051 8.198,1052 12.209,1053 1.183,1054 14.947,1055 3.312,1056 9.388,1057 11.654,1058 0.188,1059 18.148,1060 9.016,1061 13.679,1062 1,1063 16.815,1064 2.814,1065 10.649,1066 13.297,1067 0.156,1068 20.671,1069 10.254,1070 3.4,1071 1,1072 18.699,1073 2.275,1074 11.709,1075 14.663,1076 0.125,1077 23.085,1078 11.234,1079 3.166,1080 12.528,1081 20.598,1082 2.275,1083 12.912,1084 16.23,1085 0.102,1086 25.585,1087 12.396,1088 2.904,1089 10.924,1090 22.509,1091 4.71,1092 14.041,1093 17.68,1094 0.082,1095 28.052,1096 13.453,1097 2.748,1098 9.34,1099 24.429,1100 4.529,1101 15.229,1102 19.22,1103 0.066,1104 30.552,1105 14.588,1106 2.547,1107 8.321,1108 26.358,1109 3.952,1110 16.392,1111 20.71,1112 0.054,1113 33.044,1114 15.68,1115 2.39,1116 8.107,1117 28.294,1118 3.702,1119 17.579,1120 22.241,1121 0.043,1122 35.549,1123 16.807,1124 2.33,1125 7.523,1126 30.237,1127 3.4,1128 18.76,1129 23.752,1130 0.035,1131 38.053,1132 17.918,1133 20269,1134 36183,1135 27.046,1136 42.989,1137 62.855,1138 64.342,1139 64.538,1140 62.563,1141 62.417,1142 86.676,1143 1.6,1144 187.082,1145 59.403,1146 5.694,1147 6.686,1148 6.84,1149 5.375,1150 5.4,1151 7.71,1152 1.2,1153 19.921,1154 5.148,1155 20.636,1156 1.533,1157 1.569,1158 1.574,1159 1.526,1160 1.522,1161 2.114,1162 0.039,1163 4.563,1164 1.449,1165 4.143,1166 4.159,1167 4.738,1168 4.1,1169 8.201,1170 4.083,1171 4.058,1172 4.045,1173 4.097,1174 4.034,1175 7.717,1176 3.966,1177 3.896,1178 3.928,1179 3.946,1180 3.828,1181 6.999,1182 3.826,1183 3.802,1184 3.838,1185 3.8,1186 3.705,1187 5.064,1188 3.711,1189 3.604,1190 3.593,1191 3.719,1192 3.514,1193 4.967,1194 3.452,1195 3.459,1196 3.525,1197 3.458,1198 3.327,1199 4.715,1200 3.318,1201 3.349,1202 3.4,1203 3.27,1204 3.173,1205 4.583,1206 3.173,1207 2.996,1208 3.043,1209 3.132,1210 2.895,1211 4.437,1212 2.888,1213 0.119,1214 0.114,1215 0.178,1216 0.105,1217 0.083,1218 4.86,1219 0.115,1220 4.686,1221 0.02,1222 7.311,1223 0.306,1224 4.319,1225 0.077,1226 3.4,1227 4.71,1228 0.8,1229 12.528,1230 3.148,1231 2.088,1232 2.07,1233 2.149,1234 2.154,1235 1.3,1236 2.156,1237 1.959,1238 1.967,1239 1.99,1240 2.036,1241 1.159,1242 2.066,1243 1.882,1244 1.856,1245 1.963,1246 1.977,1247 1.096,1248 1.984,1249 1.762,1250 1.731,1251 1.837,1252 1.886,1253 0.938,1254 1.881,1255 1.469,1256 1.462,1257 1.708,1258 1.665,1259 0.78,1260 1.687,1261 1.395,1262 1.366,1263 1.536,1264 1.58,1265 0.616,1266 1.608,1267 1.32,1268 1.264,1269 1.417,1270 1.47,1271 0.5,1272 1.491,1273 0.98,1274 0.936,1275 1.201,1276 1.239,1277 0.469,1278 1.308,1279 4.419,1281 5.778,1283 7.332,1285 8.97,1287 10.651,1289 3.995,1290 6.226,1291 13.251,1296 2.46,1300 2.044,1305 41.181,1306 104.363,1307 206.857,1308 264.706,1309 308.811,1310 311.566,1311 311.566,1312 78.735,1313 8.676,1314 75.19,1315 83.57,1316 30,1317 12.948,1318 5,1319 4.129,1320 56.774,1321 180,1322 192,1323 0.152,1324 257.237,1325 441.07,1326 619.419,1327 83388,1328 3.4,1329 26.156,1330 0.707,1331 0.583,1332 26.036,1333 21.555,1334 17.708,1335 0.432,1336 0.321,1337 11.342,1338 16.127,1339 10.852,1340 9.023,1341 18.424,1342 13.181,1343 16.971,1344 0.283,1345 0.178,1346 18.02,1347 10.694,1348 14.095,1349 0.178,1350 0.097,1351 15.155,1352 7.66,1353 11.316,1354 0.112,1355 0.052,1356 12.455,1357 5.276,1358 9.645,1359 0.071,1360 0.028,1361 10.87,1362 3.809,1363 0.241,1364 121.536,1365 0.192,1366 33.69,1367 0.412,1368 202,1369 645.914,1370 270.099,1371 661.448,1372 888.17,1373 610,1374 240,1375 604.342,1376 312.03,1377 661.495,1378 963.58,1379 618,1380 7.215}
{0 CHEMBL1914729,1 1.947,2 14.182,3 3.918,4 15.352,5 126.676,6 9.384,7 0.639,8 4.081,9 4.17,10 3.956,11 3.669,12 5.267,13 3.655,14 4.592,15 4.721,16 4.267,17 4.024,18 5.991,19 4.006,20 4.796,21 4.957,22 4.364,23 4.163,24 6.095,25 4.113,26 4.841,27 5.021,28 4.31,29 4.126,30 6.096,31 4.054,32 4.795,33 4.985,34 4.307,35 4.038,36 6.141,37 4.002,38 4.671,39 4.843,40 4.254,41 4.018,42 6.134,43 3.972,44 4.66,45 4.824,46 4.179,47 4.03,48 5.922,49 3.959,50 4.647,51 4.825,52 4.092,53 3.94,54 5.896,55 3.877,56 0.185,57 0.869,58 8.907,59 4.744,60 20.618,61 4.694,62 0.623,63 1.335,64 16.932,65 7.689,66 64.217,67 7.858,68 0.706,69 1.628,70 24.339,71 10.114,72 60.262,73 10.433,74 0.764,75 1.559,76 35.781,77 11.181,78 83.883,79 11.485,80 0.918,81 1.44,82 27.967,83 9.425,84 112.556,85 10.27,86 0.789,87 1.366,88 21.503,89 8.634,90 100.37,91 9.803,92 0.586,93 1.297,94 26.144,95 9.132,96 54.332,97 9.679,98 0.64,99 1.253,100 25.623,101 8.74,102 65.76,103 9.594,104 30,105 51,106 0.319,107 0.646,108 0.8,109 0.876,110 0.876,111 0.876,112 3.532,113 0.971,114 -3.03,115 -3.03,116 -2.92,119 42.3,124 1,125 2,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 1,175 4,178 3,180 1,183 7,186 1,187 10,190 3,192 4,195 7,199 11,204 4,207 2,211 3,212 7,217 4,220 3,223 2,224 5,229 3,232 8,236 1,237 7,240 1,242 1,245 7,250 5,253 2,258 6,262 2,263 3,267 1,271 6,275 2031,276 22.065,277 22.065,278 22.065,279 22.065,280 22.065,281 19.074,282 16.971,283 13.031,284 22.854,285 17.741,286 17.741,287 17.741,288 17.741,289 17.741,290 13.175,291 17.21,292 6.191,293 19.036,294 3.754,295 1.762,296 0.822,297 0.361,298 0.361,299 0.361,300 4.226,302 1,305 1,306 999,307 3.937,311 411.961,315 156.44,318 2.138,319 49.522,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 73.333,331 468,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.86,339 12.528,340 3.1,341 4.481,342 3.188,343 6.33,344 4.011,345 3.036,346 4.399,347 0.4,348 9.718,349 2.96,350 4.247,351 3.002,352 6.124,353 3.773,354 2.831,355 3.93,357 8.99,358 2.674,359 3.875,360 2.873,361 5.865,362 3.454,363 2.516,364 3.402,366 8.041,367 2.339,368 3.814,369 2.675,370 5.255,371 3.325,372 2.383,373 3.309,375 6.662,376 2.22,377 3.591,378 2.412,379 5.14,380 3.19,381 2.246,382 2.969,384 6.301,385 2.106,386 3.095,387 2.149,388 4.734,389 2.59,390 1.644,391 2.385,393 4.776,394 1.544,395 3.079,396 1.986,397 4.492,398 2.551,399 1.618,400 2.292,402 4.503,403 1.514,404 2.896,405 1.645,406 4.295,407 2.508,408 1.588,409 2.075,411 3.939,412 1.444,413 2.827,414 1.579,415 4.143,416 2.371,417 1.406,418 1.949,420 3.68,421 1.347,422 2.641,423 1.449,424 3.619,425 2.295,426 1.383,427 1.646,428 3.091,429 1.208,430 2.5,431 1.189,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.241,439 1,440 3.293,441 1.755,442 0.843,443 1.131,445 1.849,446 0.762,447 1.796,448 0.775,449 3.216,450 1.547,451 0.648,452 0.742,454 1.216,455 0.579,456 1.502,457 0.677,458 2.886,459 1.069,460 0.217,461 0.267,463 0.535,464 0.164,465 15.833,466 0.48,467 0.905,468 0.027,469 47.75,470 1.447,471 26,472 0.788,473 21.75,474 0.659,475 24.604,476 0.746,477 35.167,478 0.676,479 39.661,480 1.202,481 9.49,482 0.288,483 6.362,484 0.193,485 0.137,486 0.053,487 0.284,491 1,493 0.622,494 1.212,495 0.664,496 1.133,497 0.632,498 0.865,499 0.838,500 1.016,501 0.765,502 0.866,503 0.613,504 0.835,505 0.956,506 1.019,507 0.935,508 0.976,509 0.934,510 0.955,511 1.103,512 1.048,513 1.146,514 1.112,515 1.141,516 1.046,517 0.862,518 0.798,519 0.755,520 0.779,521 1.002,522 0.812,523 0.644,524 0.893,525 0.792,526 0.835,527 0.489,528 0.869,529 0.997,530 0.942,531 1.361,532 1.095,533 0.855,534 1.083,535 1.003,536 0.909,537 1.146,538 1.029,539 0.979,540 1.043,541 8,542 0.252,543 4.444,544 1.938,545 2.142,546 1.354,547 0.811,548 0.606,549 0.443,550 0.299,551 15722,552 55555,553 2.054,554 36.5,556 15,558 2,559 2,564 1.752,565 1.913,566 3.766,567 0.282,569 1,573 101.24,574 1.947,575 3.938,576 4.878,577 5.34,578 5.34,579 5.34,580 3.253,581 4.658,582 5.01,583 3.894,584 2056.29,585 8.777,586 31071.9,591 296.423,592 1.554,593 4.964,594 0.222,595 0.008,596 0.087,597 0.037,598 0.046,599 0.029,600 0.017,601 0.014,602 0.011,603 0.009,604 0.48,605 0.33,606 0.88,607 1.177,608 176.397,609 -0.002,610 -0.159,611 0.12,612 -0.102,613 -0.119,614 0.008,615 0.035,616 -0.021,617 0.019,618 0.07,619 0.142,620 0.041,621 -0.072,622 0.02,623 -0.027,624 0.018,625 -0.044,626 -0.021,627 -0.184,628 -0.111,629 -0.069,630 -0.065,631 -0.138,632 -0.057,633 0.05,634 0.042,635 0.161,636 0.124,637 -0.003,638 0.144,639 0.221,640 0.082,641 0.116,642 0.096,643 0.329,644 0.082,645 -0.16,646 -0.02,647 -0.206,648 -0.094,649 -0.085,650 -0.116,651 -0.105,652 -0.025,653 -0.094,654 -0.066,655 -0.1,656 -0.06,657 4.902,658 5.679,659 0.667,660 37.873,661 1.028,662 1.128,663 1.795,664 3.222,665 0.71,666 3.611,667 3.951,668 4.19,669 4.419,670 4.71,671 4.804,672 4.89,673 5.03,674 5.209,675 5.263,676 7.823,677 0.69,678 487.98,679 3.611,680 5.165,681 6.009,682 6.891,683 7.757,684 8.644,685 9.518,686 10.409,687 11.288,688 12.18,689 9.6,694 2,699 3,703 2,704 10,705 3,709 7,711 23,724 1,730 2,731 52,733 25,734 2,735 36,737 55,738 22,739 19,740 5,741 7,746 4,747 5,748 1,761 19,762 3,766 2,769 1,771 2,779 1,781 19,782 9,783 2,784 11,785 2,790 5,794 0.75,795 3,802 1,805 1,812 4,816 1,839 1,840 3,842 1,844 1,845 1,846 1,848 33,852 1,854 2,855 2,856 1,869 2,870 5.8,873 2,874 1,877 17.25,878 9.636,879 7.208,880 2.814,881 4.366,882 1.542,883 1.007,884 6.938,885 12.424,886 3.922,887 4.59,888 5.155,889 5.744,890 6.375,891 6.713,892 7.122,893 7.564,894 8.059,895 8.362,896 0.9,897 53,898 12.486,900 5.675,901 8.061,902 22.561,904 18.37,905 2.561,906 84.528,910 200.109,911 146.781,912 84.772,913 39.149,914 55.313,915 14.96,916 5.807,917 140.974,918 294.57,919 99.732,920 10.883,921 6.698,922 81.617,923 163.627,924 42.183,925 59.508,926 176.567,928 200.109,929 225.746,930 70.273,931 44.956,933 215.069,934 44.313,935 11,937 29.081,938 111.892,939 90.58,940 39.149,941 215.069,942 140.085,943 185.93,945 5.807,946 200.109,947 36.186,948 104.788,949 34.416,950 159.778,951 200.109,952 155.045,953 185.93,955 0.585,956 0.331,957 0.166,958 0.099,959 24,960 11,961 0.145,962 8,963 1,964 1.091,965 4.369,966 302.697,967 0.091,968 22,969 160.465,973 1,974 23.181,975 9.876,976 5.505,977 1.355,978 155.045,979 14.701,980 13.066,984 1.426,986 34.416,987 541.084,988 49.5,991 -3.985,993 25.358,999 53.473,1000 58.645,1001 0.342,1002 0.691,1003 0.856,1004 0.937,1005 0.937,1006 0.937,1007 5.158,1008 1.618,1009 6.023,1010 4.776,1011 4.635,1012 5.278,1013 1.029,1014 6.86,1015 4.508,1016 6.408,1017 1.588,1018 7.606,1019 4.503,1020 4.369,1021 5.338,1023 7.997,1024 4.147,1025 7.759,1026 1.406,1027 9.3,1028 3.939,1029 6.297,1030 7.628,1031 0.763,1032 11.025,1033 6.052,1034 9.152,1035 1.383,1036 11.063,1037 3.68,1038 6.836,1039 8.485,1041 13.002,1042 6.483,1043 10.58,1044 1,1045 12.872,1046 3.091,1047 8.28,1048 10.299,1049 0.597,1050 15.632,1051 7.901,1052 12.033,1053 0.843,1054 14.714,1055 2.275,1056 9.177,1057 11.51,1059 17.937,1060 8.691,1061 13.505,1062 0.648,1063 16.582,1064 1.849,1065 10.446,1066 13.144,1067 0.47,1068 20.466,1069 9.917,1070 3.4,1071 0.217,1072 18.469,1073 1.216,1074 11.505,1075 14.52,1077 22.899,1078 10.875,1079 3.036,1080 12.528,1081 20.373,1082 0.535,1083 12.714,1084 16.083,1085 0.367,1086 25.41,1087 12.024,1088 2.831,1089 9.718,1090 22.291,1091 4.709,1092 13.848,1093 17.537,1095 27.895,1096 13.061,1097 2.516,1098 8.99,1099 24.219,1100 4.399,1101 15.041,1102 19.073,1103 0.283,1104 30.407,1105 14.181,1106 2.383,1107 8.041,1108 26.156,1109 3.93,1110 16.21,1111 20.565,1113 32.914,1114 15.255,1115 2.246,1116 6.662,1117 28.102,1118 3.402,1119 17.403,1120 22.094,1121 0.217,1122 35.432,1123 16.366,1124 1.644,1125 6.301,1126 30.054,1127 3.309,1128 18.59,1129 23.605,1131 37.949,1132 17.459,1133 15145,1134 28726,1135 23.75,1136 36.926,1137 53.638,1138 55.691,1139 55.237,1140 53.601,1141 53.522,1142 73.411,1143 2.52,1144 156.205,1145 49.922,1146 5.698,1147 6.686,1148 7.221,1149 5.39,1150 5.4,1151 7.709,1152 1.72,1153 19.92,1154 5.1,1155 17.418,1156 1.49,1157 1.547,1158 1.534,1159 1.489,1160 1.487,1161 2.039,1162 0.07,1163 4.339,1164 1.387,1165 4.117,1166 4.131,1167 4.738,1168 4.079,1169 8.201,1170 4.028,1171 4.037,1172 4.035,1173 4.064,1174 3.974,1175 7.717,1176 3.946,1177 3.826,1178 3.861,1179 3.921,1180 3.717,1181 6.999,1182 3.728,1183 3.63,1184 3.678,1185 3.719,1186 3.513,1187 5.096,1188 3.461,1189 3.583,1190 3.574,1191 3.532,1192 3.404,1193 5.004,1194 3.399,1195 3.373,1196 3.416,1197 3.371,1198 3.195,1199 4.639,1200 3.203,1201 3.115,1202 3.205,1203 3.163,1204 2.888,1205 4.583,1206 2.887,1207 2.961,1208 3.02,1209 2.885,1210 2.814,1211 4.459,1212 2.801,1213 0.135,1214 0.13,1215 0.203,1216 0.12,1217 0.094,1218 4.86,1219 0.131,1220 4.686,1221 0.024,1222 7.311,1223 0.348,1224 4.319,1225 0.086,1226 3.4,1227 4.709,1228 0.86,1229 12.528,1230 3.1,1231 2.03,1232 2.009,1233 2.087,1234 2.133,1235 1.207,1236 2.125,1237 1.95,1238 1.956,1239 1.964,1240 2.03,1241 1.147,1242 2.058,1243 1.774,1244 1.742,1245 1.848,1246 1.909,1247 1.037,1248 1.9,1249 1.559,1250 1.505,1251 1.78,1252 1.8,1253 0.901,1254 1.8,1255 1.412,1256 1.433,1257 1.557,1258 1.594,1259 0.583,1260 1.613,1261 1.304,1262 1.267,1263 1.433,1264 1.516,1265 0.546,1266 1.531,1267 1.1,1268 1.006,1269 1.192,1270 1.363,1271 0.461,1272 1.394,1273 0.939,1274 0.89,1275 1.181,1276 1.114,1277 0.218,1278 1.126,1279 4.29,1281 5.624,1283 7.154,1285 8.772,1287 10.437,1289 1.619,1290 6.14,1291 13.155,1295 1.127,1296 5.543,1297 5.023,1305 35.864,1306 101.24,1307 204.797,1308 253.668,1309 277.668,1310 277.668,1311 277.668,1312 76.617,1313 8.058,1314 106.1,1315 114.48,1316 24,1317 12.71,1318 4.7,1319 3.858,1320 54.442,1321 153,1322 190,1323 0.171,1324 226.649,1325 388.24,1326 544.784,1327 38455,1328 3.8,1329 23.424,1330 0.71,1331 0.575,1332 23.304,1333 18.991,1334 15.853,1335 0.44,1336 0.324,1337 9.772,1338 14.093,1339 9.416,1340 7.786,1341 16.568,1342 11.656,1343 14.728,1344 0.289,1345 0.177,1346 15.778,1347 9.041,1348 11.957,1349 0.184,1350 0.098,1351 13.018,1352 6.378,1353 9.449,1354 0.115,1355 0.053,1356 10.588,1357 4.316,1358 8.079,1359 0.073,1360 0.028,1361 9.303,1362 3.108,1363 0.273,1364 111.726,1365 0.205,1366 30.907,1367 0.46,1368 174,1369 641.983,1370 246.394,1371 641.99,1372 847.33,1373 592,1374 203,1375 558.463,1376 278.994,1377 608.255,1378 884.61,1379 567,1380 7.268}
{0 CHEMBL1914730,1 1.915,2 14.235,3 4.272,4 18.247,5 130.911,6 9.127,7 0.622,8 4.129,9 4.221,10 3.98,11 3.707,12 5.297,13 3.689,14 4.652,15 4.795,16 4.296,17 4.066,18 6.01,19 4.047,20 4.843,21 4.999,22 4.409,23 4.229,24 6.123,25 4.176,26 4.95,27 5.14,28 4.366,29 4.216,30 6.17,31 4.137,32 4.934,33 5.144,34 4.355,35 4.131,36 6.214,37 4.086,38 4.751,39 4.915,40 4.294,41 4.114,42 6.182,43 4.055,44 4.805,45 5.001,46 4.216,47 4.123,48 5.987,49 4.034,50 4.725,51 4.909,52 4.132,53 4.018,54 5.938,55 3.946,56 0.168,57 0.91,58 10.009,59 5.088,60 19.474,61 5.299,62 0.647,63 1.407,64 19.857,65 8.105,66 64.486,67 8.675,68 0.657,69 1.717,70 25.348,71 10.677,72 55.554,73 11.334,74 0.758,75 1.724,76 39.55,77 12.363,78 86.165,79 13.455,80 1.056,81 1.602,82 34.956,83 10.883,84 123.952,85 12.456,86 0.756,87 1.484,88 22.36,89 9.452,90 97.264,91 10.965,92 0.633,93 1.449,94 32.833,95 10.954,96 63.485,97 12.684,98 0.627,99 1.348,100 28.071,101 9.587,102 64.604,103 10.988,104 41,105 53,106 0.311,107 0.634,108 0.798,109 0.869,110 0.869,111 0.869,112 3.56,113 0.976,114 -3.23,115 -3.22,116 -3.09,119 41.8,124 2,125 2,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 2,175 4,178 2,180 1,183 7,186 3,187 10,190 1,192 4,195 7,199 12,204 3,207 2,211 3,212 9,217 2,220 3,223 2,224 7,229 1,232 8,236 1,237 8,240 1,245 7,249 1,250 5,253 1,258 6,262 2,263 3,266 1,271 6,275 2168,276 22.565,277 22.565,278 22.565,279 22.565,280 22.565,281 19.598,282 17.163,283 13.173,284 23.394,285 18.202,286 18.202,287 18.202,288 18.202,289 18.202,290 13.66,291 16.583,292 6.218,293 19.555,294 3.866,295 1.876,296 0.864,297 0.427,298 0.427,299 0.427,300 4.252,302 1,305 1,306 1030,307 4.183,311 426.817,315 162.024,318 2.131,319 49.071,322 0.75,323 0.83,324 0.83,325 0.5,327 0.83,328 1,329 0.68,330 75.333,331 484,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.86,339 12.528,340 3.1,341 4.49,342 3.19,343 6.348,344 4.022,345 3.054,346 4.404,347 0.8,348 9.772,349 2.965,350 4.255,351 3.108,352 6.168,353 3.81,354 2.868,355 3.932,357 9.119,358 2.703,359 3.927,360 2.875,361 5.945,362 3.564,363 2.637,364 3.408,366 8.302,367 2.435,368 3.829,369 2.858,370 5.818,371 3.383,372 2.431,373 3.342,375 7.871,376 2.301,377 3.729,378 2.546,379 5.14,380 3.305,381 2.369,382 3.091,384 6.301,385 2.184,386 3.098,387 2.155,388 4.734,389 2.601,390 1.673,391 2.389,393 4.776,394 1.552,395 3.08,396 1.987,397 4.505,398 2.588,399 1.644,400 2.293,402 4.539,403 1.542,404 2.937,405 1.65,406 4.35,407 2.536,408 1.591,409 2.111,411 4.151,412 1.489,413 2.829,414 1.612,415 4.174,416 2.372,417 1.414,418 1.951,420 3.74,421 1.347,422 2.759,423 1.534,424 4.136,425 2.295,426 1.383,427 1.804,428 3.652,429 1.209,430 2.5,431 1.378,432 3.414,433 2.03,434 1.146,435 1.5,436 2.275,437 1.004,438 2.314,439 1,440 3.33,441 2,442 1,443 1.285,445 2.243,446 1,447 2.12,448 0.775,449 3.225,450 1.643,451 0.704,452 0.995,454 1.677,455 0.657,456 1.502,457 0.678,458 3.216,459 1.07,460 0.218,461 0.267,463 0.535,464 0.165,465 16.333,466 0.48,467 0.995,468 0.029,469 48.5,470 1.426,471 26,472 0.765,473 22.5,474 0.662,475 26.701,476 0.785,477 36.467,478 0.663,479 41.268,480 1.214,481 9.655,482 0.284,483 6.609,484 0.194,485 0.163,486 0.051,487 0.3,491 1,493 0.605,494 1.286,495 0.665,496 1.179,497 0.624,498 0.911,499 0.866,500 0.955,501 0.748,502 0.787,503 0.6,504 0.756,505 0.942,506 1.077,507 0.938,508 1.025,509 0.922,510 1,511 1.045,512 1.064,513 1.099,514 1.118,515 1.076,516 1.063,517 0.929,518 0.71,519 0.736,520 0.681,521 0.944,522 0.732,523 0.626,524 0.972,525 0.839,526 0.95,527 0.485,528 1.014,529 0.881,530 0.873,531 1.208,532 1.007,533 0.76,534 0.999,535 0.959,536 0.914,537 1.109,538 1.031,539 0.939,540 1.046,541 8.5,542 0.281,543 5.111,544 2.188,545 2.342,546 1.472,547 0.833,548 0.696,549 0.468,550 0.329,551 16779,552 57654,553 2.035,554 38.2,556 18,558 2,559 1,564 1.76,565 1.88,566 3.778,567 -0.275,573 105.33,574 1.915,575 3.905,576 4.918,577 5.354,578 5.354,579 5.354,580 3.253,581 4.536,582 5.055,583 3.905,584 2190.72,585 8.867,586 33729.5,591 317.975,592 1.611,593 4.999,594 0.23,595 0.009,596 0.096,597 0.039,598 0.047,599 0.029,600 0.017,601 0.015,602 0.011,603 0.009,604 0.503,605 0.33,606 0.88,607 1.19,608 183.215,609 0.017,610 -0.22,611 0.129,612 -0.135,613 -0.113,614 -0.018,615 0.027,616 0.052,617 0.054,618 0.148,619 0.152,620 0.129,621 -0.064,622 -0.018,623 -0.048,624 -0.03,625 -0.038,626 -0.076,627 -0.153,628 -0.127,629 -0.055,630 -0.092,631 -0.116,632 -0.078,633 0.021,634 0.115,635 0.184,636 0.216,637 0.011,638 0.233,639 0.208,640 0.017,641 0.03,642 -0.022,643 0.303,644 -0.074,645 -0.086,646 0.01,647 -0.075,648 -0.006,649 -0.033,650 0.015,651 -0.082,652 -0.026,653 -0.079,654 -0.068,655 -0.082,656 -0.061,657 4.905,658 5.712,659 0.647,660 39.045,661 1.025,662 1.128,663 2.004,664 4.018,665 0.703,666 3.638,667 3.989,668 4.234,669 4.454,670 4.745,671 4.844,672 4.942,673 5.069,674 5.257,675 5.323,676 7.901,677 0.68,678 502.01,679 3.638,680 5.198,681 6.047,682 6.932,683 7.803,684 8.692,685 9.569,686 10.461,687 11.343,688 12.236,689 9.1,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 55,733 25,734 2,735 37,737 58,738 23,739 19,740 5,741 7,746 4,747 5,748 1,761 19,762 4,766 2,769 1,771 2,779 1,781 21,782 9,783 1,784 11,785 2,790 5,794 0.75,795 3,802 1,805 1,812 4,816 1,839 1,840 3,842 1,844 2,845 1,846 1,848 34,852 1,854 2,855 1,856 1,859 1,869 2,870 5.5,873 2,874 1,877 18.083,878 10.586,879 7.403,880 2.977,881 4.365,882 1.537,883 0.997,884 7.173,885 12.492,886 3.942,887 4.61,888 5.178,889 5.762,890 6.393,891 6.744,892 7.162,893 7.595,894 8.097,895 8.413,896 0.9,897 56,898 12.863,900 5.818,901 8.03,902 23.343,904 18.989,905 2.53,906 86.028,910 235.422,911 155.177,912 69.886,913 39.149,914 55.313,915 14.96,916 5.807,917 149.37,918 329.884,919 84.846,920 19.279,921 6.698,922 81.617,923 145.617,924 45.307,925 59.508,926 211.88,928 235.422,929 219.256,930 70.273,931 44.956,933 250.382,934 44.313,935 11,937 29.081,938 123.413,939 72.569,940 39.149,941 250.382,942 125.199,943 194.326,945 5.807,946 235.422,947 36.186,948 116.309,949 16.405,950 159.778,951 235.422,952 140.159,953 194.326,955 0.589,956 0.338,957 0.168,958 0.1,959 25,960 12,961 0.138,962 8,963 1,964 1.091,965 4.394,966 317.338,967 0.091,968 22,969 166.974,973 1,974 24.148,975 10.1,976 5.579,977 1.384,978 140.159,979 14.827,980 13.272,984 1.533,986 16.405,987 569.907,988 50.5,991 -3.988,993 25.424,999 56.356,1000 62.06,1001 0.331,1002 0.675,1003 0.851,1004 0.926,1005 0.926,1006 0.926,1007 5.186,1008 1.644,1009 6.071,1010 4.776,1011 4.673,1012 5.298,1013 1.235,1014 6.917,1015 4.543,1016 6.439,1017 1.591,1018 7.663,1019 4.539,1020 4.443,1021 5.366,1022 0.325,1023 8.061,1024 4.214,1025 7.791,1026 1.414,1027 9.365,1028 4.151,1029 6.347,1030 7.643,1031 0.938,1032 11.089,1033 6.096,1034 9.185,1035 1.383,1036 11.133,1037 3.74,1038 6.909,1039 8.504,1040 0.268,1041 13.056,1042 6.547,1043 10.613,1044 1.146,1045 12.944,1046 3.652,1047 8.338,1048 10.312,1049 0.732,1050 15.683,1051 7.95,1052 12.065,1053 1,1054 14.786,1055 2.275,1056 9.244,1057 11.523,1058 0.188,1059 17.976,1060 8.749,1061 13.536,1062 0.704,1063 16.652,1064 2.243,1065 10.504,1066 13.155,1067 0.57,1068 20.499,1069 9.966,1070 3.4,1071 0.218,1072 18.536,1073 1.677,1074 11.565,1075 14.53,1076 0.125,1077 22.924,1078 10.925,1079 3.054,1080 12.528,1081 20.436,1082 0.535,1083 12.767,1084 16.091,1085 0.438,1086 25.43,1087 12.068,1088 2.868,1089 9.772,1090 22.348,1091 4.709,1092 13.898,1093 17.544,1094 0.082,1095 27.909,1096 13.103,1097 2.637,1098 9.119,1099 24.271,1100 4.404,1101 15.087,1102 19.08,1103 0.334,1104 30.419,1105 14.219,1106 2.431,1107 8.302,1108 26.204,1109 3.932,1110 16.252,1111 20.571,1112 0.054,1113 32.923,1114 15.291,1115 2.369,1116 7.871,1117 28.144,1118 3.408,1119 17.442,1120 22.1,1121 0.252,1122 35.438,1123 16.399,1124 1.673,1125 6.301,1126 30.091,1127 3.342,1128 18.625,1129 23.61,1130 0.035,1131 37.954,1132 17.49,1133 16213,1134 30348,1135 24.156,1136 38.688,1137 55.511,1138 57.59,1139 57.685,1140 55.38,1141 55.315,1142 75.22,1143 3.32,1144 163.349,1145 51.532,1146 5.701,1147 6.686,1148 7.175,1149 5.39,1150 5.4,1151 7.709,1152 1.72,1153 19.92,1154 5.1,1155 19.431,1156 1.5,1157 1.556,1158 1.559,1159 1.497,1160 1.495,1161 2.033,1162 0.09,1163 4.415,1164 1.393,1165 4.119,1166 4.134,1167 4.738,1168 4.079,1169 8.201,1170 4.029,1171 4.038,1172 4.036,1173 4.066,1174 3.975,1175 7.717,1176 3.947,1177 3.83,1178 3.866,1179 3.924,1180 3.719,1181 6.999,1182 3.731,1183 3.661,1184 3.715,1185 3.719,1186 3.517,1187 5.091,1188 3.487,1189 3.59,1190 3.575,1191 3.573,1192 3.447,1193 5.001,1194 3.422,1195 3.387,1196 3.435,1197 3.378,1198 3.195,1199 4.636,1200 3.203,1201 3.19,1202 3.266,1203 3.182,1204 2.956,1205 4.583,1206 2.958,1207 2.969,1208 3.083,1209 2.966,1210 2.83,1211 4.454,1212 2.822,1213 0.131,1214 0.127,1215 0.198,1216 0.117,1217 0.092,1218 4.86,1219 0.127,1220 4.686,1221 0.023,1222 7.311,1223 0.339,1224 4.319,1225 0.084,1226 3.4,1227 4.709,1228 0.86,1229 12.528,1230 3.1,1231 2.031,1232 2.01,1233 2.088,1234 2.136,1235 1.21,1236 2.126,1237 1.951,1238 1.956,1239 1.964,1240 2.031,1241 1.149,1242 2.059,1243 1.778,1244 1.745,1245 1.871,1246 1.918,1247 1.08,1248 1.91,1249 1.599,1250 1.542,1251 1.79,1252 1.821,1253 0.901,1254 1.822,1255 1.412,1256 1.436,1257 1.616,1258 1.61,1259 0.671,1260 1.623,1261 1.318,1262 1.275,1263 1.455,1264 1.55,1265 0.547,1266 1.575,1267 1.157,1268 1.077,1269 1.41,1270 1.383,1271 0.535,1272 1.4,1273 1.01,1274 0.9,1275 1.189,1276 1.29,1277 0.416,1278 1.351,1279 4.317,1281 5.659,1283 7.197,1285 8.82,1287 10.487,1289 3.543,1290 6.159,1291 13.177,1295 1.221,1296 2.422,1297 5.114,1300 1.939,1305 37.39,1306 105.33,1307 214.781,1308 270.465,1309 294.465,1310 294.465,1311 294.465,1312 80.68,1313 8.127,1314 97.31,1315 105.69,1316 24,1317 12.765,1318 4.7,1319 3.858,1320 56.974,1321 160,1322 188,1323 0.172,1324 236.242,1325 405.54,1326 568.189,1327 41539,1328 3.6,1329 24.294,1330 0.715,1331 0.586,1332 24.174,1333 19.938,1334 16.263,1335 0.44,1336 0.325,1337 10.142,1338 14.468,1339 9.718,1340 8.06,1341 16.979,1342 12.04,1343 15.246,1344 0.288,1345 0.179,1346 16.295,1347 9.508,1348 12.491,1349 0.184,1350 0.1,1351 13.551,1352 6.775,1353 9.722,1354 0.114,1355 0.053,1356 10.86,1357 4.467,1358 8.348,1359 0.073,1360 0.029,1361 9.572,1362 3.25,1363 0.273,1364 114.396,1365 0.203,1366 31.595,1367 0.462,1368 180,1369 653.295,1370 252.755,1371 652.879,1372 862.49,1373 602,1374 211,1375 570.238,1376 287.993,1377 621.808,1378 904.13,1379 578,1380 7.252}
{0 CHEMBL1914731,1 1.801,2 15.083,3 6.238,4 38.91,5 141.377,6 8.624,7 0.575,8 4.222,9 4.325,10 4.026,11 3.841,12 5.306,13 3.802,14 4.778,15 4.924,16 4.359,17 4.245,18 6.046,19 4.188,20 5.086,21 5.294,22 4.446,23 4.392,24 6.203,25 4.295,26 5.108,27 5.338,28 4.369,29 4.312,30 6.206,31 4.2,32 4.985,33 5.211,34 4.364,35 4.192,36 6.201,37 4.127,38 4.835,39 5.028,40 4.33,41 4.174,42 6.2,43 4.111,44 4.85,45 5.04,46 4.276,47 4.204,48 6.023,49 4.119,50 4.813,51 4.998,52 4.198,53 4.147,54 5.987,55 4.063,56 0.123,57 0.997,58 12.501,59 5.789,60 20.688,61 6.61,62 0.425,63 1.619,64 22.36,65 10.021,66 64.211,67 12.091,68 0.56,69 2.07,70 38.296,71 14.588,72 74.217,73 17.719,74 0.692,75 1.965,76 49.758,77 14.936,78 95.967,79 17.84,80 0.823,81 1.721,82 38.174,83 11.993,84 114.953,85 14.758,86 0.687,87 1.631,88 28.018,89 10.098,90 107.375,91 12.487,92 0.51,93 1.585,94 33.619,95 10.909,96 62.132,97 12.842,98 0.5,99 1.524,100 30.37,101 10.364,102 61.567,103 12.459,104 17,105 57,106 0.286,107 0.599,108 0.744,109 0.839,110 0.854,111 0.854,112 3.615,113 1.026,114 -4.59,115 -4.51,116 -4.25,119 42.6,121 5,122 1,125 1,142 8,143 2,144 3,145 2,146 2,147 2,172 13,174 1,175 4,178 3,180 2,183 13,186 1,187 10,190 2,192 6,195 10,199 12,204 6,207 2,211 2,212 10,217 5,220 3,223 1,224 9,229 3,232 9,236 1,237 9,240 1,242 1,245 11,250 4,253 2,258 14,262 2,263 1,267 1,271 16,275 2578,276 24.212,277 24.212,278 24.212,279 24.212,280 24.212,281 21.22,282 15.505,283 14.163,284 24.794,285 19.758,286 19.758,287 19.758,288 19.758,289 19.758,290 15.193,291 16.178,292 6.79,293 20.829,294 4.13,295 2.159,296 1.245,297 0.648,298 0.557,299 0.557,300 4.321,302 1,305 1,306 1188,307 3.742,311 579.283,315 170.336,318 2.37,319 48.258,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 78.333,331 543,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.4,339 12.528,340 3.1,341 4.481,342 3.188,343 6.33,344 4.011,345 3.037,346 4.399,348 9.719,349 2.96,350 4.247,351 3.004,352 6.124,353 3.775,354 2.833,355 3.93,357 8.99,358 2.676,359 3.876,360 2.873,361 5.865,362 3.535,363 2.561,364 3.402,366 8.042,367 2.511,368 3.815,369 2.696,370 5.389,371 3.438,372 2.482,373 3.31,375 7.083,376 2.334,377 3.628,378 2.545,379 5.194,380 3.322,381 2.381,382 2.975,384 6.508,385 2.213,386 3.455,387 2.297,388 5.14,389 3.147,390 2.195,391 2.495,393 6.301,394 2.075,395 3.095,396 1.986,397 4.734,398 2.59,399 1.644,400 2.383,402 4.776,403 1.544,404 3.078,405 1.646,406 4.492,407 2.547,408 1.596,409 2.292,411 4.502,412 1.514,413 2.891,414 1.583,415 4.294,416 2.492,417 1.502,418 2.071,420 3.933,421 1.484,422 2.826,423 1.525,424 4.143,425 2.38,426 1.406,427 1.949,428 3.679,429 1.361,430 2.511,431 1.43,432 3.64,433 2.295,434 1.383,435 1.512,436 3.146,437 1.209,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.245,448 1,449 3.312,450 2,451 1,452 1.136,454 2.136,455 1,456 2,457 0.933,458 3.247,459 1.766,460 0.823,461 1,463 1.928,464 0.772,465 17.5,466 0.486,467 0.974,468 0.027,469 49.25,470 1.368,471 26,472 0.722,473 23.25,474 0.646,475 31.512,476 0.875,477 38.3,478 0.628,479 39.646,480 1.101,481 8.909,482 0.247,483 8.461,484 0.235,485 0.095,486 0.048,487 0.286,491 1,493 0.541,494 1.167,495 0.683,496 1.09,497 0.585,498 0.885,499 0.557,500 1.096,501 0.749,502 1.016,503 0.493,504 0.996,505 0.803,506 1.016,507 0.836,508 0.994,509 0.749,510 0.979,511 1.038,512 0.959,513 1.012,514 0.998,515 0.971,516 0.955,517 0.868,518 0.799,519 0.695,520 0.734,521 0.925,522 0.744,523 0.701,524 0.928,525 0.8,526 0.821,527 0.508,528 0.851,529 1.061,530 0.905,531 1.27,532 0.983,533 0.84,534 0.98,535 1.002,536 0.94,537 1.126,538 1.034,539 0.953,540 1.058,541 8.5,542 0.256,543 4.667,544 1.875,545 2.293,546 1.389,547 0.791,548 0.642,549 0.447,550 0.341,551 21640,552 61685,553 2.113,554 41,555 10,556 10,558 2,559 2,561 1,564 1.773,565 1.991,566 3.863,567 0.204,573 109.857,574 1.801,575 3.772,576 4.685,577 5.283,578 5.373,579 5.373,580 3.385,581 4.538,582 5.138,583 4.019,584 2532.2,585 9.024,586 41357.6,591 361.775,592 1.463,593 5.103,594 0.213,595 0.007,596 0.082,597 0.032,598 0.046,599 0.027,600 0.015,601 0.013,602 0.01,603 0.008,604 0.453,605 0.17,606 0.75,607 0.496,608 198.636,609 0.036,610 -0.098,611 0.126,612 -0.049,613 -0.079,614 0.034,615 0.177,616 -0.091,617 0.027,618 -0.069,619 0.212,620 -0.072,621 0.021,622 -0.05,623 0.069,624 -0.008,625 0.049,626 0.007,627 -0.101,628 -0.058,629 0.044,630 0.016,631 -0.046,632 0.047,633 0.096,634 0.04,635 0.234,636 0.175,637 0.051,638 0.221,639 0.211,640 0.078,641 0.107,642 0.094,643 0.308,644 0.08,645 -0.153,646 0.044,647 -0.139,648 -0.007,649 -0.071,650 -0.028,651 -0.089,652 -0.011,653 -0.118,654 -0.086,655 -0.089,656 -0.106,657 4.896,658 5.756,659 0.778,660 45.679,661 1.013,662 1.126,663 3.361,664 11.298,665 0.701,666 3.714,667 4.06,668 4.304,669 4.533,670 4.82,671 4.883,672 4.984,673 5.142,674 5.342,675 5.421,676 8.516,677 0.668,678 526.08,679 3.714,680 5.273,681 6.12,682 7,683 7.864,684 8.747,685 9.618,686 10.503,687 11.378,688 12.265,689 8.2,694 2,699 3,703 2,704 10,705 3,709 7,711 23,724 1,730 2,731 61,733 25,734 2,735 40,737 65,738 26,739 19,740 5,741 7,746 5,747 6,748 1,755 5,756 1,758 5,761 19,762 7,763 1,766 2,769 1,771 2,779 1,781 25,782 8,783 2,784 10,785 2,790 5,794 0.8,795 2,802 1,805 1,812 5,816 1,840 4,842 1,845 1,846 1,848 36,852 1,854 6,855 2,858 1,869 2,870 3.3,873 2,877 18.083,878 10.802,879 7.708,880 3.814,881 4.361,882 1.512,883 1.021,884 7.268,885 12.871,886 3.998,887 4.649,888 5.2,889 5.776,890 6.398,891 6.73,892 7.142,893 7.59,894 8.093,895 8.405,896 1,897 58,898 13.672,900 6.291,901 7.899,902 25.452,904 21.677,905 2.399,906 86.361,910 270.735,911 143.978,912 84.772,913 39.149,914 44.313,915 14.96,916 5.807,917 138.171,918 354.197,919 99.732,921 14.778,922 81.617,923 152.627,924 42.183,925 59.508,926 247.193,928 270.735,929 222.943,930 59.273,931 44.956,933 273.924,934 56.084,937 37.161,938 101.009,939 90.58,940 39.149,941 285.695,942 129.085,943 183.127,945 5.807,946 270.735,947 44.266,948 93.905,949 34.416,950 148.778,951 270.735,952 144.045,953 183.127,955 0.591,956 0.336,957 0.17,958 0.1,959 28,960 12,961 0.108,962 7,963 1,964 1.071,965 4.71,966 345.549,967 0.071,968 28,969 176.117,973 1,974 24.733,975 10.578,976 5.905,977 1.464,978 144.045,979 15.075,980 13.406,984 1.675,986 34.416,987 597.908,988 53.5,991 -3.979,993 25.512,999 61.796,1000 68.681,1001 0.304,1002 0.636,1003 0.79,1004 0.891,1005 0.906,1006 0.906,1007 5.246,1008 1.644,1009 6.129,1010 6.301,1011 4.745,1012 5.338,1013 0.278,1014 6.954,1015 4.643,1016 6.481,1017 1.596,1018 7.703,1019 4.776,1020 4.443,1021 5.366,1023 8.05,1024 4.237,1025 7.823,1026 1.502,1027 9.386,1028 4.502,1029 6.395,1030 7.655,1031 0.05,1032 11.077,1033 6.184,1034 9.206,1035 1.406,1036 11.136,1037 3.933,1038 6.899,1039 8.497,1041 13.029,1042 6.569,1043 10.625,1044 1.383,1045 12.934,1046 3.679,1047 8.356,1048 10.31,1049 0.008,1050 15.654,1051 8.014,1052 12.07,1053 1,1054 14.765,1055 3.146,1056 9.225,1057 11.514,1059 17.948,1060 8.766,1061 13.535,1062 1,1063 16.624,1064 2.275,1065 10.498,1066 13.148,1067 0.001,1068 20.474,1069 10.004,1070 3.4,1071 0.823,1072 18.503,1073 2.136,1074 11.54,1075 14.521,1077 22.903,1078 10.935,1079 3.037,1080 12.528,1081 20.4,1082 1.928,1083 12.748,1084 16.084,1086 25.413,1087 12.088,1088 2.833,1089 9.719,1090 22.312,1091 4.709,1092 13.871,1093 17.537,1095 27.896,1096 13.107,1097 2.561,1098 8.99,1099 24.235,1100 4.399,1101 15.062,1102 19.074,1104 30.408,1105 14.226,1106 2.482,1107 8.042,1108 26.169,1109 3.93,1110 16.225,1111 20.565,1113 32.915,1114 15.29,1115 2.381,1116 7.083,1117 28.112,1118 3.402,1119 17.416,1120 22.094,1122 35.432,1123 16.398,1124 2.195,1125 6.508,1126 30.061,1127 3.31,1128 18.599,1129 23.605,1131 37.949,1132 17.484,1133 20159,1134 34589,1135 26.929,1136 42.756,1137 60.005,1138 62.088,1139 61.015,1140 60.184,1141 60.06,1142 79.959,1143 0.8,1144 174.885,1145 56.906,1146 5.86,1147 6.686,1148 7.113,1149 5.39,1150 5.4,1151 7.709,1152 0.8,1153 19.92,1154 5.1,1155 16.297,1156 1.5,1157 1.552,1158 1.525,1159 1.505,1160 1.502,1161 1.999,1162 0.02,1163 4.372,1164 1.423,1165 4.12,1166 4.136,1167 4.738,1168 4.08,1169 8.201,1170 4.03,1171 4.038,1172 4.036,1173 4.065,1174 3.975,1175 7.717,1176 3.946,1177 3.884,1178 3.94,1179 3.922,1180 3.777,1181 6.999,1182 3.764,1183 3.817,1184 3.853,1185 3.74,1186 3.711,1187 5.095,1188 3.719,1189 3.606,1190 3.602,1191 3.717,1192 3.511,1193 5.004,1194 3.45,1195 3.474,1196 3.521,1197 3.481,1198 3.325,1199 4.584,1200 3.326,1201 3.25,1202 3.315,1203 3.244,1204 3.105,1205 4.473,1206 3.092,1207 3.111,1208 3.206,1209 3.047,1210 2.941,1211 4.317,1212 2.91,1213 0.121,1214 0.117,1215 0.183,1216 0.108,1217 0.085,1218 4.86,1219 0.118,1220 4.686,1221 0.01,1222 7.311,1223 0.313,1224 4.319,1225 0.078,1226 3.4,1227 4.709,1228 0.4,1229 12.528,1230 3.1,1231 2.031,1232 2.01,1233 2.119,1234 2.136,1235 1.512,1236 2.128,1237 1.951,1238 1.956,1239 2.081,1240 2.039,1241 1.206,1242 2.069,1243 1.891,1244 1.837,1245 1.964,1246 2.02,1247 1.146,1248 2.049,1249 1.769,1250 1.737,1251 1.828,1252 1.898,1253 0.983,1254 1.889,1255 1.472,1256 1.459,1257 1.671,1258 1.664,1259 0.9,1260 1.676,1261 1.384,1262 1.37,1263 1.513,1264 1.558,1265 0.825,1266 1.587,1267 1.242,1268 1.184,1269 1.461,1270 1.416,1271 0.586,1272 1.437,1273 1.153,1274 1.064,1275 1.211,1276 1.376,1277 0.509,1278 1.429,1279 4.394,1281 5.733,1283 7.266,1285 8.881,1287 10.538,1290 6.188,1291 13.211,1295 7.277,1296 5.867,1299 0.667,1305 40.729,1306 109.857,1307 230.085,1308 285.801,1309 322.265,1310 327.775,1311 327.775,1312 79.721,1313 8.51,1314 96.87,1315 105.25,1316 30,1317 12.799,1318 4.7,1319 3.858,1320 54.603,1321 183,1322 196,1323 0.142,1324 253.629,1325 436.29,1326 610.615,1327 70871,1328 3.3,1329 25.123,1330 0.698,1331 0.583,1332 25.003,1333 20.988,1334 17.37,1335 0.434,1336 0.342,1337 11.847,1338 15.781,1339 11.49,1340 9.494,1341 18.086,1342 13.684,1343 16.314,1344 0.286,1345 0.193,1346 17.363,1347 11.006,1348 13.449,1349 0.184,1350 0.11,1351 14.51,1352 8.062,1353 10.713,1354 0.116,1355 0.062,1356 11.852,1357 5.675,1358 9.217,1359 0.075,1360 0.034,1361 10.441,1362 4.205,1363 0.228,1364 119.625,1365 0.193,1366 33.381,1367 0.377,1368 194,1369 618.247,1370 264.18,1371 628.883,1372 840.51,1373 580,1374 227,1375 567.736,1376 301.112,1377 617.112,1378 901.31,1379 579,1380 6.551}
{0 CHEMBL1914732,1 1.82,2 15.108,3 5.986,4 35.832,5 144.48,6 9.208,7 0.707,8 4.181,9 4.272,10 4.041,11 3.825,12 5.353,13 3.797,14 4.684,15 4.814,16 4.372,17 4.197,18 6.048,19 4.165,20 4.923,21 5.079,22 4.471,23 4.343,24 6.18,25 4.279,26 5.014,27 5.21,28 4.414,29 4.304,30 6.213,31 4.22,32 4.953,33 5.147,34 4.416,35 4.241,36 6.236,37 4.187,38 4.862,39 5.043,40 4.371,41 4.24,42 6.245,43 4.173,44 4.874,45 5.065,46 4.301,47 4.239,48 6.059,49 4.151,50 4.786,51 4.967,52 4.218,53 4.148,54 5.994,55 4.072,56 0.129,57 0.928,58 9.811,59 5.151,60 17.875,61 5.359,62 0.461,63 1.483,64 17.312,65 8.24,66 53.038,67 8.992,68 0.488,69 1.864,70 25.598,71 11.617,72 52.858,73 12.479,74 0.681,75 1.905,76 41.233,77 13.334,78 85.557,79 14.183,80 0.812,81 1.749,82 31.913,83 11.495,84 110.285,85 12.752,86 0.686,87 1.692,88 25.391,89 10.627,90 99.221,91 12.493,92 0.549,93 1.622,94 33.215,95 11.565,96 62.7,97 13.143,98 0.524,99 1.488,100 28.18,101 10.226,102 61.529,103 11.623,104 26,105 59,106 0.289,107 0.572,108 0.734,109 0.855,110 0.863,111 0.863,112 3.642,113 0.959,114 -4.58,115 -4.51,116 -4.24,119 46.6,124 1,125 1,142 13,143 3,144 3,145 2,146 2,147 2,172 13,174 2,175 5,178 2,180 1,183 13,186 2,187 12,190 1,192 4,195 10,199 15,204 3,207 2,211 2,212 13,217 2,220 3,223 1,224 11,229 1,232 9,236 1,237 10,240 1,245 11,249 1,250 4,253 1,258 14,262 2,263 1,266 1,271 16,275 2731,276 24.712,277 24.712,278 24.712,279 24.712,280 24.712,281 20.994,282 17.826,283 14.356,284 25.334,285 20.236,286 20.236,287 20.236,288 20.236,289 20.236,290 14.661,291 19.406,292 6.865,293 21.37,294 4.038,295 2.26,296 1.235,297 0.474,298 0.427,299 0.427,300 4.345,302 1,305 1,306 1219,307 4,311 598.567,315 175.921,318 2.333,319 46.915,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 80.333,331 559,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.916,339 12.528,340 3.1,341 4.491,342 3.194,343 6.349,344 4.024,345 3.056,346 4.404,347 0.172,348 9.777,349 2.966,350 4.257,351 3.151,352 6.173,353 3.823,354 2.879,355 3.932,357 9.14,358 2.72,359 3.992,360 2.911,361 5.966,362 3.64,363 2.691,364 3.478,366 8.408,367 2.568,368 3.864,369 2.873,370 5.83,371 3.441,372 2.483,373 3.402,375 7.934,376 2.35,377 3.816,378 2.628,379 5.312,380 3.336,381 2.385,382 3.325,384 6.823,385 2.267,386 3.688,387 2.46,388 5.14,389 3.279,390 2.324,391 3.072,393 6.301,394 2.173,395 3.097,396 1.987,397 4.734,398 2.59,399 1.644,400 2.388,402 4.776,403 1.544,404 3.08,405 1.673,406 4.501,407 2.56,408 1.604,409 2.293,411 4.524,412 1.535,413 2.963,414 1.64,415 4.328,416 2.521,417 1.551,418 2.146,420 4.044,421 1.495,422 2.883,423 1.57,424 4.146,425 2.391,426 1.414,427 2.055,428 3.691,429 1.373,430 2.827,431 1.454,432 4.07,433 2.296,434 1.383,435 1.95,436 3.511,437 1.214,438 2.5,439 1.285,440 3.538,441 2.121,442 1.17,443 1.5,445 2.799,446 1.106,447 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 3.282,459 2,460 1,461 1.5,463 2.136,464 1,465 18,466 0.486,467 1.063,468 0.029,469 56,470 1.514,471 32,472 0.865,473 24,474 0.649,475 27.943,476 0.755,477 37.8,478 0.652,479 47.2,480 1.276,481 11.041,482 0.298,483 6.74,484 0.182,485 0.12,486 0.046,487 0.3,491 1,493 0.534,494 1.154,495 0.655,496 1.069,497 0.612,498 0.838,499 0.648,500 0.994,501 0.739,502 0.884,503 0.553,504 0.849,505 0.919,506 1.119,507 0.942,508 1.098,509 0.892,510 1.07,511 1.14,512 1.006,513 1.119,514 1.066,515 1.08,516 1.028,517 0.891,518 0.834,519 0.767,520 0.813,521 0.954,522 0.854,523 0.609,524 0.934,525 0.804,526 0.894,527 0.458,528 0.947,529 0.945,530 0.859,531 1.226,532 0.979,533 0.768,534 0.985,535 0.95,536 0.88,537 1.103,538 0.998,539 0.928,540 1.018,541 9,542 0.285,543 5.111,544 2.25,545 2.573,546 1.535,547 0.853,548 0.733,549 0.472,550 0.371,551 22765,552 72317,553 2.093,554 36.2,556 18,558 2,559 1,564 1.78,565 1.956,566 3.871,567 -0.338,573 105.533,574 1.82,575 3.598,576 4.623,577 5.384,578 5.431,579 5.431,580 3.375,581 4.831,582 5.179,583 4.019,584 2676.79,585 9.108,586 44280.7,591 339.763,592 1.531,593 5.134,594 0.22,595 0.007,596 0.087,597 0.037,598 0.048,599 0.028,600 0.016,601 0.014,602 0.01,603 0.009,604 0.475,605 0.17,606 0.75,607 0.531,608 205.362,609 0.042,610 -0.153,611 0.124,612 -0.095,613 -0.118,614 0.006,615 0.141,616 0.005,617 0.027,618 0.016,619 0.172,620 0.004,621 -0.038,622 -0.106,623 -0.054,624 -0.126,625 -0.028,626 -0.15,627 -0.166,628 -0.072,629 -0.052,630 -0.043,631 -0.113,632 -0.039,633 0.055,634 0.019,635 0.143,636 0.099,637 0.012,638 0.109,639 0.227,640 0.019,641 0.083,642 0.023,643 0.304,644 0.007,645 -0.102,646 0.029,647 -0.094,648 0.005,649 -0.04,650 0.012,651 -0.062,652 0.005,653 -0.075,654 -0.043,655 -0.077,656 -0.04,657 4.913,658 5.777,659 0.757,660 46.282,661 1.018,662 1.118,663 3.354,664 11.251,665 0.728,666 3.738,667 4.094,668 4.344,669 4.575,670 4.86,671 4.934,672 5.043,673 5.187,674 5.384,675 5.472,676 8.531,677 0.701,678 534.05,679 3.738,680 5.303,681 6.155,682 7.04,683 7.908,684 8.795,685 9.67,686 10.559,687 11.437,688 12.328,689 8.6,694 1,695 1,699 3,703 2,704 15,705 3,709 8,711 29,726 1,730 2,731 58,733 31,734 3,735 41,737 62,738 27,739 25,740 6,741 12,746 5,747 6,748 1,761 25,762 2,766 2,769 1,771 2,779 1,781 21,782 8,783 1,784 10,785 2,790 5,794 0.8,795 2,802 1,805 1,812 5,816 1,840 4,842 1,844 1,845 1,846 1,848 37,852 1,854 1,855 1,859 1,869 2,870 3.4,873 2,877 18.917,878 10.836,879 7.903,880 3.213,881 5.18,882 1.605,883 1.031,884 6.965,885 13.737,886 4.069,887 4.745,888 5.313,889 5.893,890 6.512,891 6.81,892 7.231,893 7.68,894 8.198,895 8.546,896 1,897 61,898 13.976,900 6.377,901 7.951,902 25.595,904 21.236,905 2.451,906 90.694,910 235.422,911 190.269,912 69.886,913 39.149,914 44.313,915 14.96,916 5.807,917 184.461,918 318.884,919 84.846,920 8.396,921 2.106,922 128.999,923 134.617,924 48.493,925 59.508,926 211.88,928 235.422,929 254.347,930 59.273,931 44.956,933 250.382,934 44.313,937 24.489,938 163.097,939 72.569,940 39.149,941 250.382,942 114.199,943 229.417,945 5.807,946 235.422,947 34.779,948 152.807,949 16.405,950 148.778,951 235.422,952 129.159,953 229.417,955 0.594,956 0.34,957 0.172,958 0.1,959 29,960 13,961 0.113,962 7,963 1,964 1.071,965 4.723,966 361.768,967 0.071,968 28,969 182.75,973 1,974 24.945,975 10.331,976 5.662,977 1.401,978 129.159,979 25.029,980 13.472,984 2.729,986 16.405,987 593.998,988 57.5,991 -3.996,993 25.554,999 59.029,1000 64.851,1001 0.311,1002 0.614,1003 0.789,1004 0.919,1005 0.927,1006 0.927,1007 5.31,1008 1.644,1009 6.172,1010 6.301,1011 4.779,1012 5.434,1013 0.918,1014 7.008,1015 4.673,1016 6.561,1017 1.604,1018 7.755,1019 4.776,1020 4.511,1021 5.427,1022 0.325,1023 8.111,1024 4.299,1025 7.905,1026 1.551,1027 9.445,1028 4.524,1029 6.441,1030 7.758,1031 0.671,1032 11.144,1033 6.223,1034 9.29,1035 1.414,1036 11.202,1037 4.044,1038 6.967,1039 8.551,1040 0.393,1041 13.085,1042 6.628,1043 10.707,1044 1.383,1045 13.003,1046 3.691,1047 8.412,1048 10.393,1049 0.533,1050 15.71,1051 8.059,1052 12.148,1053 1.17,1054 14.836,1055 3.511,1056 9.292,1057 11.558,1058 0.384,1059 17.991,1060 8.822,1061 13.61,1062 1,1063 16.693,1064 2.799,1065 10.558,1066 13.206,1067 0.438,1068 20.512,1069 10.053,1070 3.4,1071 1,1072 18.571,1073 2.275,1074 11.602,1075 14.554,1076 0.351,1077 22.932,1078 10.988,1079 3.056,1080 12.528,1081 20.464,1082 2.136,1083 12.805,1084 16.122,1085 0.366,1086 25.436,1087 12.136,1088 2.879,1089 9.777,1090 22.371,1091 4.709,1092 13.926,1093 17.56,1094 0.312,1095 27.913,1096 13.156,1097 2.691,1098 9.14,1099 24.29,1100 4.404,1101 15.113,1102 19.098,1103 0.309,1104 30.422,1105 14.272,1106 2.483,1107 8.408,1108 26.219,1109 3.932,1110 16.273,1111 20.581,1112 0.273,1113 32.925,1114 15.334,1115 2.385,1116 7.934,1117 28.157,1118 3.478,1119 17.461,1120 22.11,1121 0.262,1122 35.44,1123 16.44,1124 2.324,1125 6.823,1126 30.101,1127 3.402,1128 18.641,1129 23.616,1130 0.236,1131 37.955,1132 17.524,1133 21292,1134 38325,1135 27.334,1136 42.233,1137 62.267,1138 63.657,1139 63.267,1140 61.932,1141 61.799,1142 85.858,1143 2.178,1144 181.813,1145 58.46,1146 5.694,1147 6.686,1148 7.113,1149 5.39,1150 5.4,1151 7.709,1152 1.605,1153 19.92,1154 5.1,1155 18.519,1156 1.519,1157 1.553,1158 1.543,1159 1.511,1160 1.507,1161 2.094,1162 0.053,1163 4.434,1164 1.426,1165 4.122,1166 4.138,1167 4.738,1168 4.08,1169 8.201,1170 4.033,1171 4.04,1172 4.037,1173 4.069,1174 3.978,1175 7.717,1176 3.947,1177 3.911,1178 3.944,1179 3.927,1180 3.849,1181 6.999,1182 3.842,1183 3.819,1184 3.853,1185 3.83,1186 3.715,1187 5.092,1188 3.725,1189 3.61,1190 3.622,1191 3.719,1192 3.513,1193 5.001,1194 3.456,1195 3.516,1196 3.547,1197 3.509,1198 3.365,1199 4.751,1200 3.364,1201 3.226,1202 3.288,1203 3.285,1204 3.072,1205 4.583,1206 3.071,1207 2.969,1208 3.053,1209 3.03,1210 2.852,1211 4.457,1212 2.843,1213 0.119,1214 0.114,1215 0.178,1216 0.105,1217 0.083,1218 4.86,1219 0.115,1220 4.686,1221 0.022,1222 7.311,1223 0.306,1224 4.319,1225 0.076,1226 3.4,1227 4.709,1228 0.916,1229 12.528,1230 3.1,1231 2.032,1232 2.011,1233 2.092,1234 2.137,1235 1.213,1236 2.128,1237 1.952,1238 1.957,1239 2.038,1240 2.033,1241 1.167,1242 2.061,1243 1.91,1244 1.88,1245 1.964,1246 1.995,1247 1.142,1248 2.012,1249 1.771,1250 1.74,1251 1.832,1252 1.897,1253 0.916,1254 1.889,1255 1.506,1256 1.472,1257 1.702,1258 1.701,1259 0.812,1260 1.712,1261 1.391,1262 1.398,1263 1.41,1264 1.562,1265 0.543,1266 1.591,1267 1.194,1268 1.136,1269 1.355,1270 1.381,1271 0.502,1272 1.394,1273 0.999,1274 0.915,1275 1.189,1276 1.222,1277 0.413,1278 1.274,1279 4.419,1281 5.765,1283 7.305,1285 8.925,1287 10.587,1289 1.954,1290 6.194,1291 13.226,1295 0.68,1296 2.438,1300 2.015,1305 40.676,1306 105.533,1307 208.689,1308 268.147,1309 312.253,1310 315.008,1311 315.008,1312 78.842,1313 8.556,1314 88.08,1315 96.46,1316 30,1317 12.859,1318 5,1319 4.129,1320 56.878,1321 189,1322 196,1323 0.144,1324 254.439,1325 434.77,1326 612.591,1327 74006,1328 3.4,1329 25.993,1330 0.703,1331 0.573,1332 25.873,1333 21.209,1334 17.781,1335 0.434,1336 0.32,1337 11.257,1338 16.156,1339 10.828,1340 8.98,1341 18.497,1342 13.107,1343 16.843,1344 0.285,1345 0.177,1346 17.893,1347 10.436,1348 13.908,1349 0.183,1350 0.097,1351 14.968,1352 7.406,1353 11.101,1354 0.116,1355 0.053,1356 12.24,1357 5.062,1358 9.458,1359 0.074,1360 0.028,1361 10.683,1362 3.634,1363 0.23,1364 122.294,1365 0.191,1366 34.012,1367 0.383,1368 200,1369 661.559,1370 270.541,1371 674.272,1372 902.82,1373 622,1374 235,1375 613.511,1376 310.111,1377 667.752,1378 971.99,1379 624,1380 6.588}
{0 CHEMBL1914733,1 1.846,2 15.083,3 4.208,4 17.704,5 140.508,6 8.784,7 0.575,8 4.215,9 4.321,10 4.031,11 3.814,12 5.319,13 3.784,14 4.762,15 4.91,16 4.362,17 4.212,18 6.053,19 4.167,20 5.056,21 5.261,22 4.448,23 4.36,24 6.202,25 4.275,26 5.085,27 5.314,28 4.37,29 4.285,30 6.207,31 4.182,32 4.955,33 5.174,34 4.365,35 4.172,36 6.194,37 4.114,38 4.823,39 5.015,40 4.334,41 4.156,42 6.205,43 4.099,44 4.838,45 5.028,46 4.279,47 4.183,48 6.025,49 4.103,50 4.791,51 4.973,52 4.2,53 4.123,54 5.982,55 4.046,56 0.15,57 1.016,58 11.959,59 5.498,60 21.854,61 6.148,62 0.488,63 1.626,64 21.379,65 9.317,66 65.084,67 11.022,68 0.627,69 2.032,70 36.196,71 13.635,72 73.954,73 16.291,74 0.797,75 1.915,76 48.507,77 14.116,78 97.624,79 16.641,80 0.85,81 1.672,82 36.108,83 11.406,84 114.925,85 13.858,86 0.736,87 1.613,88 27.017,89 9.815,90 107.041,91 12.029,92 0.573,93 1.566,94 32.948,95 10.634,96 63,97 12.408,98 0.527,99 1.5,100 29.101,101 10.008,102 61.539,103 11.901,104 17,105 57,106 0.294,107 0.624,108 0.788,109 0.888,110 0.888,111 0.888,112 3.615,113 1.004,114 -3.64,115 -3.61,116 -3.44,119 41.7,121 2,122 1,125 3,142 8,143 2,144 3,145 2,146 2,147 2,172 9,174 1,175 4,178 3,180 4,183 8,186 1,187 10,190 2,192 6,195 7,199 12,203 1,204 5,207 2,211 2,212 9,217 4,220 3,223 1,224 7,227 1,229 3,232 9,236 1,237 7,240 2,242 1,245 10,250 3,253 2,255 1,258 11,262 2,263 1,267 1,268 2,271 11,275 2578,276 24.212,277 24.212,278 24.212,279 24.212,280 24.212,281 21.22,282 21.829,283 14.163,284 24.859,285 19.758,286 19.758,287 19.758,288 19.758,289 19.758,290 15.193,291 26.178,292 6.79,293 20.924,294 4.061,295 1.992,296 0.958,297 0.333,298 0.333,299 0.333,300 4.321,302 1,305 1,306 1188,307 3.742,311 579.283,315 170.336,318 2.37,319 49.887,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 78.833,331 543,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.4,339 12.528,340 3.1,341 4.481,342 3.188,343 6.33,344 4.011,345 3.037,346 4.399,347 0.4,348 9.719,349 2.96,350 4.247,351 3.004,352 6.124,353 3.775,354 2.833,355 3.93,357 8.99,358 2.676,359 3.876,360 2.873,361 5.865,362 3.528,363 2.561,364 3.402,366 8.042,367 2.489,368 3.815,369 2.704,370 5.389,371 3.436,372 2.482,373 3.31,375 7.083,376 2.333,377 3.628,378 2.575,379 5.194,380 3.322,381 2.381,382 2.975,384 6.508,385 2.213,386 3.455,387 2.32,388 5.14,389 3.145,390 2.195,391 2.495,393 6.301,394 2.072,395 3.095,396 1.986,397 4.734,398 2.59,399 1.644,400 2.383,402 4.776,403 1.544,404 3.078,405 1.698,406 4.492,407 2.547,408 1.596,409 2.292,411 4.502,412 1.511,413 2.891,414 1.644,415 4.294,416 2.459,417 1.502,418 2.071,420 3.933,421 1.435,422 2.826,423 1.576,424 4.143,425 2.377,426 1.406,427 1.949,428 3.679,429 1.359,430 2.511,431 1.438,432 3.64,433 2.295,434 1.383,435 1.512,436 3.146,437 1.209,438 2.5,439 1.14,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.245,448 1,449 3.312,450 1.956,451 1,452 1.136,454 2.136,455 0.954,456 2,457 0.95,458 3.247,459 1.765,460 0.823,461 1,463 1.928,464 0.771,465 17.4,466 0.483,467 0.974,468 0.027,469 49.75,470 1.382,471 26,472 0.722,473 23.75,474 0.66,475 30.284,476 0.841,477 38.4,478 0.64,479 40.874,480 1.135,481 9.352,482 0.26,483 8.018,484 0.223,485 0.096,486 0.048,487 0.287,491 1,493 0.588,494 1.204,495 0.682,496 1.089,497 0.601,498 0.87,499 0.632,500 1.085,501 0.762,502 0.98,503 0.521,504 0.963,505 0.852,506 1.029,507 0.861,508 1.001,509 0.78,510 0.988,511 1.069,512 0.906,513 1.037,514 0.976,515 0.998,516 0.944,517 0.872,518 0.82,519 0.71,520 0.762,521 0.947,522 0.772,523 0.685,524 0.913,525 0.8,526 0.83,527 0.505,528 0.864,529 1.035,530 0.879,531 1.268,532 0.982,533 0.834,534 0.979,535 0.989,536 0.977,537 1.128,538 1.068,539 0.957,540 1.083,541 8.5,542 0.256,543 4.667,544 1.875,545 2.293,546 1.389,547 0.791,548 0.642,549 0.447,550 0.341,551 21640,552 64615,553 2.113,554 40,555 2,556 14,558 2,559 3,561 2,562 1,564 1.773,565 1.991,566 3.863,567 0.856,573 110.768,574 1.846,575 3.915,576 4.948,577 5.574,578 5.574,579 5.574,580 3.385,581 4.538,582 5.138,583 4.019,584 2532.2,585 9.024,586 41357.6,591 354.413,592 1.463,593 5.103,594 0.213,595 0.007,596 0.082,597 0.032,598 0.046,599 0.027,600 0.015,601 0.013,602 0.01,603 0.008,604 0.453,605 0.33,606 0.75,607 0.496,608 198.636,609 0.009,610 -0.114,611 0.12,612 -0.049,613 -0.092,614 0.037,615 0.128,616 -0.06,617 0.011,618 -0.04,619 0.19,620 -0.055,621 -0.011,622 -0.052,623 0.045,624 -0.013,625 0.03,626 -0.007,627 -0.121,628 -0.006,629 0.027,630 0.041,631 -0.063,632 0.059,633 0.079,634 0.012,635 0.217,636 0.153,637 0.039,638 0.198,639 0.213,640 0.086,641 0.103,642 0.09,643 0.31,644 0.072,645 -0.141,646 0.062,647 -0.136,648 0.002,649 -0.067,650 -0.019,651 -0.091,652 -0.052,653 -0.121,654 -0.11,655 -0.092,656 -0.124,657 4.9,658 5.752,659 0.778,660 45.679,661 1.017,662 1.129,663 2.413,664 5.824,665 0.7,666 3.714,667 4.06,668 4.304,669 4.533,670 4.82,671 4.883,672 4.984,673 5.142,674 5.342,675 5.421,676 8.516,677 0.67,678 527.07,679 3.714,680 5.273,681 6.12,682 7,683 7.864,684 8.747,685 9.618,686 10.503,687 11.378,688 12.265,689 10,691 1,694 2,699 3,703 2,704 10,705 3,709 7,711 23,724 1,730 2,731 60,733 25,734 2,735 40,737 64,738 25,739 19,740 5,741 7,746 5,747 6,748 1,755 2,756 1,758 2,761 19,762 6,763 1,766 2,769 1,771 2,779 1,781 24,782 9,783 3,784 11,785 2,790 6,794 0.8,795 2,802 1,805 1,812 5,816 1,835 1,840 4,842 1,845 1,846 1,848 36,852 1,854 5,855 3,858 1,869 2,870 3.3,873 2,877 18.083,878 10.552,879 7.708,880 3.564,881 4.361,882 1.512,883 1.025,884 7.24,885 12.871,886 3.998,887 4.649,888 5.2,889 5.776,890 6.398,891 6.73,892 7.142,893 7.59,894 8.093,895 8.405,896 1,897 58,898 13.657,900 6.282,901 7.927,902 25.268,904 21.377,905 2.427,906 87.361,910 247.193,911 140.586,912 102.783,913 39.149,914 44.313,915 14.96,916 5.807,917 134.779,918 330.655,919 117.743,921 11.386,922 99.628,923 152.627,924 42.183,925 59.508,926 223.651,928 247.193,929 237.562,930 59.273,931 44.956,933 226.84,934 79.626,937 51.78,938 101.009,939 90.58,940 39.149,941 262.153,942 147.096,943 179.735,945 5.807,946 247.193,947 40.874,948 93.905,949 52.426,950 148.778,951 247.193,952 162.056,953 179.735,955 0.591,956 0.336,957 0.17,958 0.1,959 28,960 12,961 0.109,962 7,963 1,964 1.071,965 4.71,966 345.549,967 0.071,968 28,969 180.117,973 1,974 24.696,975 10.554,976 5.889,977 1.436,978 162.056,979 14.997,980 13.364,984 1.611,986 52.426,987 588.984,988 53.5,991 -3.984,993 25.504,999 61.014,1000 67.764,1001 0.313,1002 0.663,1003 0.838,1004 0.944,1005 0.944,1006 0.944,1007 5.246,1008 1.644,1009 6.129,1010 6.301,1011 4.745,1012 5.338,1013 0.495,1014 6.954,1015 4.635,1016 6.481,1017 1.596,1018 7.703,1019 4.776,1020 4.443,1021 5.366,1023 8.05,1024 4.237,1025 7.823,1026 1.502,1027 9.386,1028 4.502,1029 6.395,1030 7.655,1031 0.097,1032 11.077,1033 6.174,1034 9.206,1035 1.406,1036 11.136,1037 3.933,1038 6.899,1039 8.497,1041 13.029,1042 6.568,1043 10.625,1044 1.383,1045 12.934,1046 3.679,1047 8.356,1048 10.31,1049 0.016,1050 15.654,1051 8.004,1052 12.07,1053 1,1054 14.765,1055 3.146,1056 9.225,1057 11.514,1059 17.948,1060 8.763,1061 13.535,1062 1,1063 16.624,1064 2.275,1065 10.498,1066 13.148,1067 0.003,1068 20.474,1069 9.996,1070 3.4,1071 0.823,1072 18.503,1073 2.136,1074 11.54,1075 14.521,1077 22.903,1078 10.932,1079 3.037,1080 12.528,1081 20.4,1082 1.928,1083 12.748,1084 16.084,1086 25.413,1087 12.081,1088 2.833,1089 9.719,1090 22.312,1091 4.709,1092 13.871,1093 17.537,1095 27.896,1096 13.103,1097 2.561,1098 8.99,1099 24.235,1100 4.399,1101 15.062,1102 19.074,1104 30.408,1105 14.221,1106 2.482,1107 8.042,1108 26.169,1109 3.93,1110 16.225,1111 20.565,1113 32.915,1114 15.286,1115 2.381,1116 7.083,1117 28.112,1118 3.402,1119 17.416,1120 22.094,1122 35.432,1123 16.394,1124 2.195,1125 6.508,1126 30.061,1127 3.31,1128 18.599,1129 23.605,1131 37.949,1132 17.481,1133 20159,1134 35295,1135 26.929,1136 42,1137 60.005,1138 62.172,1139 61.015,1140 60.161,1141 60.06,1142 79.959,1143 1.6,1144 174.885,1145 56.642,1146 5.86,1147 6.686,1148 7.113,1149 5.39,1150 5.4,1151 7.709,1152 0.8,1153 19.92,1154 5.1,1155 16.297,1156 1.5,1157 1.554,1158 1.525,1159 1.504,1160 1.502,1161 1.999,1162 0.04,1163 4.372,1164 1.416,1165 4.12,1166 4.136,1167 4.738,1168 4.08,1169 8.201,1170 4.03,1171 4.037,1172 4.036,1173 4.065,1174 3.975,1175 7.717,1176 3.946,1177 3.864,1178 3.926,1179 3.922,1180 3.733,1181 6.999,1182 3.737,1183 3.813,1184 3.851,1185 3.727,1186 3.697,1187 5.095,1188 3.696,1189 3.606,1190 3.6,1191 3.714,1192 3.511,1193 5.004,1194 3.449,1195 3.467,1196 3.516,1197 3.478,1198 3.314,1199 4.584,1200 3.317,1201 3.24,1202 3.309,1203 3.239,1204 3.084,1205 4.478,1206 3.072,1207 3.042,1208 3.153,1209 3.039,1210 2.865,1211 4.388,1212 2.859,1213 0.121,1214 0.117,1215 0.183,1216 0.108,1217 0.085,1218 4.86,1219 0.118,1220 4.686,1221 0.01,1222 7.311,1223 0.313,1224 4.319,1225 0.078,1226 3.4,1227 4.709,1228 0.4,1229 12.528,1230 3.1,1231 2.031,1232 2.01,1233 2.093,1234 2.135,1235 1.43,1236 2.127,1237 1.951,1238 1.956,1239 2.055,1240 2.035,1241 1.205,1242 2.062,1243 1.845,1244 1.786,1245 1.964,1246 2.013,1247 1.146,1248 2.033,1249 1.766,1250 1.733,1251 1.826,1252 1.898,1253 0.953,1254 1.888,1255 1.463,1256 1.456,1257 1.654,1258 1.659,1259 0.898,1260 1.668,1261 1.377,1262 1.359,1263 1.466,1264 1.556,1265 0.618,1266 1.584,1267 1.233,1268 1.169,1269 1.38,1270 1.413,1271 0.566,1272 1.436,1273 1.026,1274 0.922,1275 1.209,1276 1.327,1277 0.505,1278 1.355,1279 4.394,1281 5.733,1283 7.266,1285 8.881,1287 10.538,1290 6.184,1291 13.208,1295 5.253,1296 9.234,1299 0.555,1305 40.224,1306 110.768,1307 234.876,1308 296.904,1309 334.413,1310 334.413,1311 334.413,1312 79.258,1313 8.51,1314 108.9,1315 117.28,1316 30,1317 12.799,1318 4.7,1319 3.858,1320 54.603,1321 183,1322 196,1323 0.142,1324 250.831,1325 429.99,1326 603.787,1327 70871,1328 3.3,1329 25.123,1330 0.698,1331 0.577,1332 25.003,1333 20.781,1334 17.37,1335 0.434,1336 0.335,1337 11.53,1338 15.706,1339 11.188,1340 9.226,1341 18.086,1342 13.391,1343 16.314,1344 0.286,1345 0.188,1346 17.363,1347 10.714,1348 13.449,1349 0.184,1350 0.106,1351 14.51,1352 7.736,1353 10.713,1354 0.116,1355 0.059,1356 11.852,1357 5.382,1358 9.217,1359 0.075,1360 0.032,1361 10.441,1362 3.929,1363 0.228,1364 120.125,1365 0.193,1366 33.381,1367 0.377,1368 194,1369 632.58,1370 265.568,1371 641.459,1372 856.15,1373 592,1374 227,1375 576.863,1376 302.611,1377 625.978,1378 914.07,1379 587,1380 5.567}
{0 CHEMBL1914734,1 1.82,2 15.838,3 5.954,4 35.447,5 145,6 9.208,7 0.707,8 4.181,9 4.273,10 4.038,11 3.83,12 5.35,13 3.801,14 4.68,15 4.803,16 4.362,17 4.201,18 6.051,19 4.162,20 4.941,21 5.115,22 4.444,23 4.328,24 6.177,25 4.258,26 4.964,27 5.152,28 4.373,29 4.265,30 6.17,31 4.175,32 4.916,33 5.116,34 4.364,35 4.174,36 6.197,37 4.118,38 4.8,39 4.99,40 4.324,41 4.153,42 6.195,43 4.094,44 4.778,45 4.951,46 4.282,47 4.174,48 6.011,49 4.1,50 4.759,51 4.936,52 4.221,53 4.116,54 5.996,55 4.051,56 0.136,57 0.926,58 9.885,59 5.138,60 19.507,61 5.325,62 0.425,63 1.471,64 16.463,65 8.383,66 55.113,67 9.23,68 0.545,69 1.876,70 28.389,71 12.015,72 60.231,73 13.147,74 0.621,75 1.803,76 39.019,77 12.936,78 82.302,79 13.705,80 0.805,81 1.675,82 31.729,83 11.19,84 112.18,85 12.431,86 0.701,87 1.594,88 25.465,89 9.953,90 103.529,91 11.649,92 0.499,93 1.498,94 29.335,95 10.212,96 56.45,97 11.152,98 0.524,99 1.468,100 27.121,101 9.645,102 62.444,103 10.728,104 17,105 58,106 0.289,107 0.576,108 0.742,109 0.863,110 0.87,111 0.87,112 3.642,113 0.968,114 -4.58,115 -4.51,116 -4.24,119 46.6,121 1,125 1,142 13,143 3,144 3,145 2,146 2,147 2,172 14,174 1,175 4,178 3,180 2,183 15,186 1,187 10,190 2,192 5,195 12,199 12,204 6,207 3,211 2,212 9,217 6,220 3,223 1,224 8,229 4,232 9,236 1,237 10,240 1,242 1,245 10,250 6,253 2,258 12,262 2,263 2,267 1,271 15,275 2864,276 24.919,277 24.919,278 24.919,279 24.919,280 24.919,281 21.176,282 17.311,283 14.649,284 25.51,285 20.258,286 20.258,287 20.258,288 20.258,289 20.258,290 14.649,291 16.67,292 7.017,293 21.337,294 4.038,295 2.232,296 1.187,297 0.427,298 0.379,299 0.379,300 4.348,302 1,305 1,306 1279,307 3.873,311 606.188,315 178.186,318 2.545,319 48.164,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 80.333,331 586,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.4,339 12.528,340 3.1,341 4.481,342 3.188,343 6.33,344 4.011,345 3.036,346 4.399,348 9.719,349 2.96,350 4.247,351 3.003,352 6.124,353 3.774,354 2.832,355 3.93,357 8.99,358 2.674,359 3.901,360 2.873,361 5.865,362 3.526,363 2.54,364 3.445,366 8.041,367 2.519,368 3.872,369 2.742,370 5.348,371 3.449,372 2.499,373 3.402,375 6.981,376 2.337,377 3.813,378 2.652,379 5.245,380 3.324,381 2.383,382 3.309,384 6.639,385 2.218,386 3.587,387 2.366,388 5.14,389 3.177,390 2.23,391 2.968,393 6.301,394 2.097,395 3.095,396 1.986,397 4.734,398 2.59,399 1.644,400 2.385,402 4.776,403 1.546,404 3.079,405 1.651,406 4.492,407 2.555,408 1.597,409 2.292,411 4.503,412 1.543,413 2.942,414 1.638,415 4.294,416 2.538,417 1.552,418 2.112,420 3.937,421 1.507,422 2.889,423 1.576,424 4.143,425 2.386,426 1.414,427 2.068,428 3.68,429 1.366,430 2.826,431 1.445,432 3.68,433 2.295,434 1.383,435 1.949,436 3.232,437 1.21,438 2.5,439 1.206,440 3.414,441 2.039,442 1.078,443 1.5,445 2.375,446 1.032,447 2.5,448 1,449 3.37,450 2,451 1,452 1.5,454 2.275,455 1,456 2.323,457 1,458 3.256,459 2,460 1,461 1.281,463 2.136,464 1,465 18,466 0.486,467 0.974,468 0.026,469 55.75,470 1.507,471 32,472 0.865,473 23.75,474 0.642,475 27.563,476 0.745,477 37.8,478 0.652,479 45.839,480 1.239,481 10.901,482 0.295,483 6.969,484 0.188,485 0.093,486 0.046,487 0.278,491 1,493 0.546,494 1.095,495 0.662,496 1.033,497 0.614,498 0.814,499 0.597,500 1.065,501 0.759,502 0.983,503 0.554,504 0.952,505 0.923,506 1.021,507 0.921,508 1.016,509 0.883,510 0.998,511 1.135,512 1.061,513 1.155,514 1.147,515 1.116,516 1.099,517 0.909,518 0.854,519 0.776,520 0.828,521 0.988,522 0.861,523 0.657,524 0.898,525 0.787,526 0.817,527 0.477,528 0.846,529 1.04,530 0.921,531 1.306,532 1.014,533 0.836,534 0.992,535 1.018,536 0.924,537 1.127,538 0.999,539 0.97,540 1.007,541 8.5,542 0.293,543 4.667,544 2,545 2.133,546 1.444,547 0.83,548 0.594,549 0.479,550 0.319,551 23789,552 74957,553 2.11,554 36.2,556 15,558 2,559 2,561 2,564 1.779,565 1.991,566 3.924,567 0.189,573 105.533,574 1.82,575 3.626,576 4.671,577 5.431,578 5.479,579 5.479,580 3.419,581 4.757,582 5.176,583 4.092,584 2725.35,585 9.098,586 46017.1,591 339.763,592 1.444,593 5.144,594 0.207,595 0.008,596 0.08,597 0.034,598 0.042,599 0.028,600 0.016,601 0.012,602 0.01,603 0.007,604 0.445,605 0.17,606 0.75,607 0.488,608 206.755,609 0.029,610 -0.092,611 0.118,612 -0.058,613 -0.115,614 0.03,615 0.165,616 -0.08,617 -0.003,618 -0.078,619 0.173,620 -0.095,621 -0.036,622 -0.022,623 -0.005,624 -0.032,625 -0.02,626 -0.047,627 -0.155,628 -0.133,629 -0.074,630 -0.11,631 -0.117,632 -0.107,633 0.066,634 -0.006,635 0.162,636 0.094,637 0.011,638 0.112,639 0.237,640 0.07,641 0.144,642 0.11,643 0.333,644 0.114,645 -0.139,647 -0.146,648 -0.034,649 -0.061,650 -0.035,651 -0.089,652 -0.015,653 -0.094,654 -0.056,655 -0.093,656 -0.053,657 4.909,658 5.757,659 0.757,660 50.244,661 1.018,662 1.118,663 3.354,664 11.251,665 0.728,666 3.738,667 4.078,668 4.317,669 4.543,670 4.82,671 4.883,672 4.977,673 5.124,674 5.318,675 5.412,676 8.92,677 0.701,678 534.05,679 3.738,680 5.293,681 6.138,682 7.015,683 7.876,684 8.756,685 9.624,686 10.508,687 11.38,688 12.266,689 8.6,694 2,699 3,703 2,704 15,705 3,709 8,711 29,724 1,730 2,731 58,733 31,734 3,735 41,737 62,738 27,739 25,740 6,741 12,746 5,747 6,748 1,758 1,761 25,762 2,766 2,769 1,771 2,779 1,781 21,782 8,783 2,784 10,785 2,790 5,794 0.8,795 2,802 1,805 1,812 5,816 1,840 4,842 1,845 1,846 1,848 37,852 1,854 2,855 2,869 2,870 3.4,873 2,877 18.583,878 10.386,879 7.958,880 3.301,881 5.18,882 1.605,883 1.036,884 7.224,885 13.737,886 4.069,887 4.736,888 5.298,889 5.875,890 6.486,891 6.764,892 7.165,893 7.607,894 8.112,895 8.445,896 0.909,897 59,898 13.98,900 6.379,901 7.951,902 25.63,904 21.284,905 2.451,906 90.694,910 223.651,911 184.407,912 84.772,913 39.149,914 44.313,915 14.96,916 5.807,917 178.599,918 307.113,919 99.732,921 4.64,922 128.999,923 152.627,924 45.368,925 59.508,926 200.109,928 223.651,929 263.372,930 59.273,931 44.956,933 215.069,934 67.855,937 27.023,938 151.576,939 90.58,940 39.149,941 238.611,942 129.085,943 223.556,945 5.807,946 223.651,947 37.313,948 141.286,949 34.416,950 148.778,951 223.651,952 144.045,953 223.556,955 0.588,956 0.334,957 0.17,958 0.098,959 28,960 12,961 0.129,962 8,963 1,964 1.071,965 4.824,966 354.707,967 0.071,968 28,969 182.75,973 1,974 24.945,975 10.715,976 5.989,977 1.391,978 144.045,979 25.046,980 13.302,984 2.737,986 34.416,987 591.252,988 57.5,991 -3.993,993 25.514,999 59.029,1000 64.851,1001 0.311,1002 0.619,1003 0.797,1004 0.927,1005 0.935,1006 0.935,1007 5.3,1008 1.644,1009 6.142,1010 6.301,1011 4.762,1012 5.425,1013 0.278,1014 6.961,1015 4.662,1016 6.544,1017 1.597,1018 7.712,1019 4.776,1020 4.443,1021 5.4,1023 8.05,1024 4.237,1025 7.884,1026 1.552,1027 9.391,1028 4.503,1029 6.405,1030 7.747,1031 0.05,1032 11.078,1033 6.197,1034 9.265,1035 1.414,1036 11.14,1037 3.937,1038 6.899,1039 8.533,1041 13.029,1042 6.571,1043 10.68,1044 1.383,1045 12.936,1046 3.68,1047 8.361,1048 10.382,1049 0.008,1050 15.654,1051 8.022,1052 12.12,1053 1.078,1054 14.767,1055 3.232,1056 9.225,1057 11.545,1059 17.948,1060 8.768,1061 13.581,1062 1,1063 16.624,1064 2.375,1065 10.5,1066 13.196,1067 0.001,1068 20.474,1069 10.01,1070 3.4,1071 1,1072 18.503,1073 2.275,1074 11.539,1075 14.543,1077 22.903,1078 10.938,1079 3.036,1080 12.528,1081 20.4,1082 2.136,1083 12.748,1084 16.113,1086 25.412,1087 12.091,1088 2.832,1089 9.719,1090 22.312,1091 4.709,1092 13.87,1093 17.552,1095 27.896,1096 13.109,1097 2.54,1098 8.99,1099 24.235,1100 4.399,1101 15.061,1102 19.091,1104 30.408,1105 14.228,1106 2.499,1107 8.041,1108 26.169,1109 3.93,1110 16.224,1111 20.574,1113 32.915,1114 15.291,1115 2.383,1116 6.981,1117 28.111,1118 3.445,1119 17.415,1120 22.103,1122 35.432,1123 16.399,1124 2.23,1125 6.639,1126 30.061,1127 3.402,1128 18.599,1129 23.61,1131 37.949,1132 17.485,1133 22184,1134 39774,1135 27.622,1136 42.233,1137 61.447,1138 63.125,1139 62.225,1140 61.305,1141 61.156,1142 85.194,1143 0.8,1144 176.98,1145 58.008,1146 5.723,1147 6.686,1148 7.113,1149 5.39,1150 5.4,1151 7.709,1152 0.8,1153 19.92,1154 5.1,1155 16.661,1156 1.499,1157 1.54,1158 1.518,1159 1.495,1160 1.492,1161 2.078,1162 0.02,1163 4.317,1164 1.415,1165 4.12,1166 4.135,1167 4.738,1168 4.08,1169 8.201,1170 4.031,1171 4.037,1172 4.035,1173 4.065,1174 3.976,1175 7.717,1176 3.946,1177 3.916,1178 3.949,1179 3.922,1180 3.857,1181 6.999,1182 3.848,1183 3.822,1184 3.856,1185 3.836,1186 3.715,1187 5.096,1188 3.726,1189 3.61,1190 3.62,1191 3.719,1192 3.512,1193 5.004,1194 3.454,1195 3.517,1196 3.55,1197 3.502,1198 3.368,1199 4.751,1200 3.363,1201 3.294,1202 3.348,1203 3.291,1204 3.168,1205 4.583,1206 3.16,1207 2.98,1208 3.035,1209 3.098,1210 2.867,1211 4.469,1212 2.863,1213 0.119,1214 0.114,1215 0.178,1216 0.105,1217 0.083,1218 4.86,1219 0.115,1220 4.686,1221 0.01,1222 7.311,1223 0.306,1224 4.319,1225 0.076,1226 3.4,1227 4.709,1228 0.4,1229 12.528,1230 3.1,1231 2.031,1232 2.01,1233 2.09,1234 2.134,1235 1.234,1236 2.126,1237 1.951,1238 1.956,1239 2.053,1240 2.032,1241 1.201,1242 2.06,1243 1.919,1244 1.889,1245 1.964,1246 2.002,1247 1.146,1248 2.022,1249 1.772,1250 1.74,1251 1.831,1252 1.9,1253 0.921,1254 1.891,1255 1.512,1256 1.472,1257 1.718,1258 1.703,1259 0.876,1260 1.715,1261 1.4,1262 1.408,1263 1.461,1264 1.567,1265 0.563,1266 1.597,1267 1.272,1268 1.227,1269 1.194,1270 1.432,1271 0.475,1272 1.448,1273 0.946,1274 0.901,1275 1.181,1276 1.124,1277 0.244,1278 1.133,1279 4.419,1281 5.753,1283 7.28,1285 8.891,1287 10.545,1290 6.182,1291 13.214,1295 1.566,1296 5.735,1305 40.676,1306 105.533,1307 210.299,1308 270.902,1309 315.008,1310 317.763,1311 317.763,1312 79.029,1313 8.556,1314 96.87,1315 105.25,1316 30,1317 12.801,1318 5,1319 4.129,1320 56.954,1321 196,1322 217,1323 0.138,1324 254.439,1325 434.77,1326 612.591,1327 76646,1328 3.4,1329 25.83,1330 0.698,1331 0.567,1332 25.71,1333 20.969,1334 17.87,1335 0.436,1336 0.323,1337 11.387,1338 16.277,1339 11.021,1340 9.108,1341 18.586,1342 13.223,1343 16.667,1344 0.287,1345 0.177,1346 17.717,1347 10.283,1348 13.691,1349 0.185,1350 0.099,1351 14.751,1352 7.328,1353 10.937,1354 0.118,1355 0.054,1356 12.076,1357 5.015,1358 9.288,1359 0.076,1360 0.029,1361 10.513,1362 3.592,1363 0.222,1364 122.625,1365 0.19,1366 34.293,1367 0.361,1368 198,1369 654.247,1370 268.18,1371 667.279,1372 893.3,1373 616,1374 231,1375 605.736,1376 304.945,1377 657.585,1378 956.93,1379 617,1380 6.618}
{0 CHEMBL1914735,1 1.82,2 15.838,3 5.105,4 26.06,5 145.793,6 8.589,7 0.561,8 4.257,9 4.365,10 4.054,11 3.847,12 5.34,13 3.814,14 4.812,15 4.971,16 4.38,17 4.238,18 6.074,19 4.191,20 5.094,21 5.305,22 4.462,23 4.39,24 6.219,25 4.302,26 5.115,27 5.339,28 4.387,29 4.332,30 6.212,31 4.221,32 5.038,33 5.27,34 4.375,35 4.22,36 6.23,37 4.146,38 4.899,39 5.114,40 4.336,41 4.185,42 6.215,43 4.115,44 4.866,45 5.058,46 4.296,47 4.205,48 6.033,49 4.123,50 4.858,51 5.055,52 4.238,53 4.155,54 6.03,55 4.081,56 0.134,57 1.057,58 13.029,59 5.841,60 20.364,61 6.742,62 0.503,63 1.696,64 23.954,65 9.732,66 63.172,67 11.825,68 0.655,69 2.096,70 38.68,71 14.022,72 71.258,73 17.026,74 0.693,75 1.966,76 49.16,77 14.895,78 91.889,79 17.929,80 0.885,81 1.785,82 40.335,83 12.495,84 117.54,85 15.728,86 0.766,87 1.682,88 31.841,89 10.892,90 111.63,91 13.923,92 0.52,93 1.602,94 34.347,95 11.041,96 60.807,97 13.209,98 0.565,99 1.595,100 32.339,101 10.344,102 65.196,103 12.665,104 17,105 58,106 0.287,107 0.598,108 0.75,109 0.854,110 0.854,111 0.854,112 3.642,113 1.018,114 -3.84,115 -3.8,116 -3.61,119 41.3,121 3,125 4,142 8,143 2,144 3,145 2,146 2,147 2,172 9,174 1,175 6,178 3,180 1,183 8,186 1,187 11,190 3,192 4,195 7,199 11,204 4,207 2,211 3,212 7,217 6,220 3,223 2,224 5,229 4,232 8,236 1,237 9,240 1,242 1,245 7,250 8,253 2,258 6,262 2,263 4,267 1,271 8,275 2864,276 24.919,277 24.919,278 24.919,279 24.919,280 24.919,281 21.927,282 21.558,283 14.649,284 25.627,285 20.258,286 20.258,287 20.258,288 20.258,289 20.258,290 15.693,291 23.981,292 7.017,293 21.526,294 4.158,295 2.191,296 1.23,297 0.571,298 0.571,299 0.571,300 4.348,302 1,305 1,306 1279,307 3.873,311 606.188,315 178.186,318 2.545,319 49.032,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 80.833,331 586,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.8,339 12.528,340 3.1,341 4.481,342 3.188,343 6.33,344 4.011,345 3.036,346 4.399,347 0.4,348 9.719,349 2.96,350 4.247,351 3.003,352 6.124,353 3.774,354 2.832,355 3.93,357 8.99,358 2.674,359 3.875,360 2.873,361 5.865,362 3.47,363 2.54,364 3.402,366 8.041,367 2.354,368 3.814,369 2.837,370 5.348,371 3.435,372 2.499,373 3.309,375 6.981,376 2.327,377 3.603,378 2.665,379 5.245,380 3.324,381 2.383,382 2.97,384 6.639,385 2.217,386 3.501,387 2.373,388 5.14,389 3.175,390 2.23,391 2.515,393 6.301,394 2.095,395 3.095,396 1.986,397 4.734,398 2.59,399 1.644,400 2.384,402 4.776,403 1.544,404 3.079,405 1.647,406 4.492,407 2.551,408 1.597,409 2.292,411 4.503,412 1.527,413 2.893,414 1.62,415 4.294,416 2.53,417 1.552,418 2.074,420 3.937,421 1.504,422 2.826,423 1.573,424 4.143,425 2.385,426 1.414,427 1.949,428 3.68,429 1.365,430 2.566,431 1.446,432 3.68,433 2.295,434 1.383,435 1.567,436 3.232,437 1.21,438 2.5,439 1.241,440 3.414,441 2.026,442 1.078,443 1.5,445 2.375,446 1.018,447 2.275,448 1.077,449 3.37,450 2,451 1,452 1.21,454 2.275,455 1,456 2.074,457 1,458 3.256,459 1.984,460 1,461 1,463 2.136,464 0.983,465 17.9,466 0.484,467 0.974,468 0.026,469 50.5,470 1.365,471 26,472 0.703,473 24.5,474 0.662,475 31.803,476 0.86,477 39.7,478 0.63,479 41.599,480 1.124,481 9.497,482 0.257,483 8.373,484 0.226,485 0.093,486 0.047,487 0.274,491 1,493 0.573,494 1.27,495 0.685,496 1.132,497 0.588,498 0.911,499 0.666,500 1.088,501 0.767,502 0.959,503 0.507,504 0.943,505 0.878,506 0.956,507 0.868,508 0.95,509 0.779,510 0.948,511 1.025,512 1,513 1.031,514 1.056,515 0.984,516 1.009,517 0.836,518 0.802,519 0.709,520 0.77,521 0.903,522 0.792,523 0.649,524 0.862,525 0.749,526 0.776,527 0.462,528 0.8,529 1.034,530 0.961,531 1.244,532 1.009,533 0.832,534 0.982,535 1.038,536 0.96,537 1.099,538 0.992,539 0.964,540 1.004,541 8.5,542 0.293,543 4.667,544 2,545 2.133,546 1.444,547 0.83,548 0.594,549 0.479,550 0.319,551 23789,552 68428,553 2.11,554 41.3,555 2,556 16,558 2,559 2,561 4,564 1.779,565 1.991,566 3.924,567 0.216,573 114.636,574 1.82,575 3.786,576 4.747,577 5.406,578 5.406,579 5.406,580 3.419,581 4.757,582 5.176,583 4.092,584 2725.35,585 9.098,586 46017.1,591 376.569,592 1.444,593 5.144,594 0.207,595 0.008,596 0.08,597 0.034,598 0.042,599 0.028,600 0.016,601 0.012,602 0.01,603 0.007,604 0.445,605 0.33,606 0.75,607 0.488,608 206.755,609 0.027,610 -0.17,611 0.128,612 -0.08,613 -0.082,614 0.014,615 0.119,616 -0.053,617 0.024,618 -0.02,619 0.2,620 -0.03,621 -0.015,622 0.035,623 0.043,624 0.034,625 0.035,626 0.025,627 -0.101,628 -0.098,629 0.019,630 -0.03,631 -0.045,632 -0.003,633 0.105,634 0.026,635 0.218,636 0.142,637 0.059,638 0.182,639 0.24,640 0.106,641 0.176,642 0.152,643 0.334,644 0.163,645 -0.133,646 -0.015,647 -0.106,648 -0.017,649 -0.056,650 -0.016,651 -0.105,652 -0.022,653 -0.087,654 -0.05,655 -0.093,656 -0.054,657 4.901,658 5.764,659 0.757,660 50.244,661 1.014,662 1.13,663 2.613,664 6.827,665 0.695,666 3.738,667 4.078,668 4.317,669 4.543,670 4.82,671 4.883,672 4.977,673 5.124,674 5.318,675 5.412,676 8.92,677 0.663,678 541.1,679 3.738,680 5.293,681 6.138,682 7.015,683 7.876,684 8.756,685 9.624,686 10.508,687 11.38,688 12.266,689 9.5,692 1,694 2,699 3,703 2,704 10,705 3,709 7,711 23,724 1,730 2,731 63,733 25,734 2,735 41,737 67,738 26,739 19,740 5,741 7,746 5,747 6,748 1,755 3,758 3,761 19,762 7,766 2,769 1,771 2,779 1,781 26,782 9,783 2,784 11,785 2,790 6,794 0.8,795 2,802 1,805 1,812 5,816 1,836 1,840 4,842 1,845 1,846 1,848 37,852 1,854 7,855 2,859 1,869 2,870 3.2,873 2,877 18.583,878 11.169,879 7.958,880 3.864,881 4.359,882 1.509,883 1.021,884 7.751,885 12.915,886 4.016,887 4.659,888 5.205,889 5.779,890 6.397,891 6.727,892 7.135,893 7.579,894 8.078,895 8.393,896 0.909,897 59,898 14.036,900 6.405,901 7.893,902 26.109,904 21.955,905 2.393,906 88.528,910 282.506,911 145.226,912 87.897,913 39.149,914 44.313,915 14.96,916 5.807,917 139.419,918 365.968,919 102.857,921 16.026,922 81.617,923 152.627,924 45.307,925 59.508,926 258.964,928 282.506,929 227.316,930 59.273,931 44.956,933 250.382,934 91.397,937 41.534,938 101.009,939 90.58,940 39.149,941 297.467,942 132.21,943 184.375,945 5.807,946 282.506,947 45.514,948 97.029,949 34.416,950 148.778,951 282.506,952 147.17,953 184.375,955 0.588,956 0.334,957 0.17,958 0.098,959 28,960 12,961 0.119,962 8,963 1,964 1.071,965 4.824,966 354.707,967 0.071,968 28,969 180.75,973 1,974 25.654,975 11.179,976 6.296,977 1.438,978 147.17,979 15.016,980 13.372,984 1.616,986 34.416,987 614.051,988 54.5,991 -3.984,993 25.529,999 63.898,1000 71.18,1001 0.304,1002 0.633,1003 0.794,1004 0.904,1005 0.904,1006 0.904,1007 5.261,1008 1.644,1009 6.142,1010 6.301,1011 4.762,1012 5.347,1013 0.824,1014 6.961,1015 4.645,1016 6.492,1017 1.597,1018 7.712,1019 4.776,1020 4.443,1021 5.366,1022 0.325,1023 8.05,1024 4.214,1025 7.831,1026 1.552,1027 9.391,1028 4.503,1029 6.405,1030 7.657,1031 0.413,1032 11.078,1033 6.166,1034 9.212,1035 1.414,1036 11.14,1037 3.937,1038 6.899,1039 8.497,1040 0.268,1041 13.029,1042 6.539,1043 10.629,1044 1.383,1045 12.936,1046 3.68,1047 8.361,1048 10.31,1049 0.246,1050 15.654,1051 7.984,1052 12.072,1053 1.078,1054 14.767,1055 3.232,1056 9.225,1057 11.514,1058 0.188,1059 17.948,1060 8.734,1061 13.536,1062 1,1063 16.624,1064 2.375,1065 10.5,1066 13.148,1067 0.157,1068 20.474,1069 9.972,1070 3.4,1071 1,1072 18.503,1073 2.275,1074 11.539,1075 14.521,1076 0.125,1077 22.903,1078 10.906,1079 3.036,1080 12.528,1081 20.4,1082 2.136,1083 12.748,1084 16.084,1085 0.102,1086 25.412,1087 12.058,1088 2.832,1089 9.719,1090 22.312,1091 4.709,1092 13.87,1093 17.537,1094 0.082,1095 27.896,1096 13.081,1097 2.54,1098 8.99,1099 24.235,1100 4.399,1101 15.061,1102 19.074,1103 0.067,1104 30.408,1105 14.201,1106 2.499,1107 8.041,1108 26.169,1109 3.93,1110 16.224,1111 20.565,1112 0.054,1113 32.915,1114 15.269,1115 2.383,1116 6.981,1117 28.111,1118 3.402,1119 17.415,1120 22.094,1121 0.043,1122 35.432,1123 16.378,1124 2.23,1125 6.639,1126 30.061,1127 3.309,1128 18.599,1129 23.605,1130 0.035,1131 37.949,1132 17.468,1133 22184,1134 38193,1135 27.622,1136 43.762,1137 61.19,1138 63.069,1139 62.225,1140 61.301,1141 61.156,1142 81.039,1143 2.4,1144 176.98,1145 57.534,1146 5.86,1147 6.686,1148 7.113,1149 5.39,1150 5.4,1151 7.709,1152 1.2,1153 19.92,1154 5.1,1155 16.661,1156 1.492,1157 1.538,1158 1.518,1159 1.495,1160 1.492,1161 1.977,1162 0.059,1163 4.317,1164 1.403,1165 4.12,1166 4.135,1167 4.738,1168 4.08,1169 8.201,1170 4.03,1171 4.037,1172 4.035,1173 4.065,1174 3.974,1175 7.717,1176 3.946,1177 3.861,1178 3.929,1179 3.922,1180 3.72,1181 6.999,1182 3.73,1183 3.819,1184 3.856,1185 3.728,1186 3.692,1187 5.095,1188 3.688,1189 3.611,1190 3.63,1191 3.712,1192 3.512,1193 5.004,1194 3.454,1195 3.527,1196 3.558,1197 3.499,1198 3.371,1199 4.584,1200 3.366,1201 3.316,1202 3.374,1203 3.296,1204 3.168,1205 4.474,1206 3.164,1207 3.111,1208 3.206,1209 3.112,1210 2.941,1211 4.349,1212 2.91,1213 0.119,1214 0.114,1215 0.178,1216 0.105,1217 0.083,1218 4.86,1219 0.115,1220 4.686,1221 0.02,1222 7.311,1223 0.306,1224 4.319,1225 0.076,1226 3.4,1227 4.709,1228 0.8,1229 12.528,1230 3.1,1231 2.03,1232 2.009,1233 2.089,1234 2.134,1235 1.413,1236 2.126,1237 1.951,1238 1.956,1239 2.058,1240 2.034,1241 1.207,1242 2.06,1243 1.834,1244 1.769,1245 1.964,1246 2.019,1247 1.147,1248 2.037,1249 1.771,1250 1.738,1251 1.838,1252 1.902,1253 1.056,1254 1.893,1255 1.525,1256 1.476,1257 1.751,1258 1.728,1259 0.903,1260 1.745,1261 1.404,1262 1.415,1263 1.513,1264 1.574,1265 0.825,1266 1.602,1267 1.282,1268 1.233,1269 1.473,1270 1.458,1271 0.596,1272 1.47,1273 1.153,1274 1.064,1275 1.282,1276 1.376,1277 0.536,1278 1.429,1279 4.419,1281 5.753,1283 7.28,1285 8.891,1287 10.545,1290 6.191,1291 13.219,1295 7.872,1296 5.802,1300 2.457,1305 41.751,1306 114.636,1307 238.537,1308 299.059,1309 340.569,1310 340.569,1311 340.569,1312 80.691,1313 8.556,1314 100.11,1315 108.49,1316 30,1317 12.801,1318 4.7,1319 3.858,1320 56.954,1321 196,1322 217,1323 0.138,1324 260.423,1325 447.29,1326 627.193,1327 76646,1328 3.2,1329 25.83,1330 0.698,1331 0.583,1332 25.71,1333 21.565,1334 17.87,1335 0.436,1336 0.339,1337 12.039,1338 16.171,1339 11.688,1340 9.63,1341 18.586,1342 13.908,1343 16.667,1344 0.287,1345 0.189,1346 17.717,1347 10.95,1348 13.691,1349 0.185,1350 0.107,1351 14.751,1352 7.948,1353 10.937,1354 0.118,1355 0.06,1356 12.076,1357 5.56,1358 9.288,1359 0.076,1360 0.033,1361 10.513,1362 4.043,1363 0.222,1364 123.237,1365 0.19,1366 34.293,1367 0.361,1368 198,1369 641.892,1370 270.262,1371 649.49,1372 867.75,1373 600,1374 231,1375 585.849,1376 307.471,1377 634.26,1378 926.47,1379 595,1380 7.745}
{0 CHEMBL1914736,1 1.891,2 15.838,3 3.875,4 15.019,5 142.726,6 8.903,7 0.561,8 4.24,9 4.339,10 4.063,11 3.806,12 5.354,13 3.79,14 4.79,15 4.937,16 4.385,17 4.185,18 6.09,19 4.16,20 5.036,21 5.226,22 4.463,23 4.341,24 6.215,25 4.273,26 5.059,27 5.267,28 4.388,29 4.303,30 6.194,31 4.202,32 5.032,33 5.262,34 4.378,35 4.194,36 6.238,37 4.131,38 4.865,39 5.068,40 4.339,41 4.152,42 6.219,43 4.095,44 4.826,45 5.003,46 4.298,47 4.178,48 6.024,49 4.107,50 4.835,51 5.023,52 4.246,53 4.124,54 6.041,55 4.061,56 0.178,57 1.028,58 11.72,59 5.597,60 22.547,61 6.069,62 0.656,63 1.622,64 22.473,65 9.121,66 67.638,67 10.21,68 0.844,69 1.981,70 34.537,71 12.766,72 72.196,73 14.508,74 0.767,75 1.881,76 44.787,77 14.061,78 92.371,79 16.352,80 1.037,81 1.744,82 40.017,83 12.271,84 126.103,85 15.071,86 0.902,87 1.618,88 29.62,89 10.268,90 112.276,91 12.62,92 0.6,93 1.541,94 31.542,95 10.562,96 60.695,97 12.079,98 0.684,99 1.546,100 30.48,101 9.936,102 68.518,103 11.76,104 17,105 58,106 0.3,107 0.617,108 0.76,109 0.854,110 0.854,111 0.854,112 3.642,113 0.987,114 -2.9,115 -2.91,116 -2.81,119 41,125 6,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 1,175 4,178 3,180 1,183 7,186 2,187 10,190 3,192 4,195 7,199 11,204 4,207 2,211 3,212 7,217 4,220 3,223 2,224 5,227 1,229 3,232 8,236 1,237 7,240 1,242 1,245 7,249 1,250 5,253 2,258 6,262 3,263 3,267 1,271 6,275 2864,276 24.919,277 24.919,278 24.919,279 24.919,280 24.919,281 21.927,282 22.334,283 14.649,284 25.787,285 20.258,286 20.258,287 20.258,288 20.258,289 20.258,290 15.693,291 25.522,292 7.017,293 21.748,294 4.039,295 2.049,296 1.148,297 0.557,298 0.557,299 0.557,300 4.348,302 1,305 1,306 1279,307 3.873,311 606.188,315 178.186,318 2.545,319 52.306,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 81.833,331 586,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.86,339 12.528,340 3.1,341 4.481,342 3.188,343 6.33,344 4.011,345 3.036,346 4.399,347 0.8,348 9.719,349 2.96,350 4.247,351 3.004,352 6.124,353 3.774,354 2.832,355 3.93,356 0.4,357 8.99,358 2.674,359 3.875,360 2.889,361 5.865,362 3.466,363 2.54,364 3.402,366 8.041,367 2.344,368 3.814,369 2.873,370 5.348,371 3.427,372 2.499,373 3.309,375 6.981,376 2.305,377 3.603,378 2.667,379 5.245,380 3.324,381 2.383,382 2.97,384 6.639,385 2.215,386 3.501,387 2.382,388 5.14,389 3.174,390 2.23,391 2.515,393 6.301,394 2.091,395 3.095,396 2.158,397 4.734,398 2.59,399 1.644,400 2.384,402 4.776,403 1.544,404 3.079,405 1.986,406 4.492,407 2.547,408 1.597,409 2.292,411 4.503,412 1.511,413 2.893,414 1.646,415 4.294,416 2.447,417 1.552,418 2.074,420 3.937,421 1.393,422 2.826,423 1.581,424 4.143,425 2.374,426 1.414,427 1.949,428 3.68,429 1.339,430 2.566,431 1.462,432 3.68,433 2.295,434 1.383,435 1.567,436 3.232,437 1.209,438 2.5,439 1.305,440 3.414,441 2,442 1.078,443 1.5,445 2.375,446 1,447 2.275,448 1.256,449 3.37,450 1.992,451 1,452 1.21,454 2.275,455 0.977,456 2.074,457 1,458 3.256,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.733,466 0.479,467 0.974,468 0.026,469 51,470 1.378,471 26,472 0.703,473 25,474 0.676,475 30.502,476 0.824,477 39.867,478 0.654,479 42.901,480 1.159,481 9.995,482 0.27,483 7.875,484 0.213,485 0.094,486 0.047,487 0.276,491 1,493 0.631,494 1.298,495 0.671,496 1.159,497 0.609,498 0.905,499 0.862,500 1.054,501 0.79,502 0.901,503 0.575,504 0.885,505 0.969,506 0.935,507 0.926,508 0.928,509 0.85,510 0.951,511 0.951,512 1.062,513 1.069,514 1.135,515 1.008,516 1.092,517 0.834,518 0.778,519 0.71,520 0.743,521 0.903,522 0.776,523 0.677,524 0.832,525 0.775,526 0.754,527 0.488,528 0.799,529 0.992,530 0.997,531 1.278,532 1.057,533 0.848,534 1.032,535 0.963,536 0.951,537 1.108,538 1.006,539 0.954,540 1.028,541 8.5,542 0.293,543 4.667,544 2,545 2.133,546 1.444,547 0.83,548 0.594,549 0.479,550 0.319,551 23789,552 75332,553 2.11,554 39.3,556 20,558 2,559 2,564 1.779,565 1.991,566 3.924,567 0.243,573 115.375,574 1.891,575 3.882,576 4.783,577 5.373,578 5.373,579 5.373,580 3.419,581 4.757,582 5.176,583 4.092,584 2725.35,585 9.098,586 46017.1,591 361.775,592 1.444,593 5.144,594 0.207,595 0.008,596 0.08,597 0.034,598 0.042,599 0.028,600 0.016,601 0.012,602 0.01,603 0.007,604 0.445,605 0.33,606 0.63,607 0.488,608 206.755,609 0.002,610 -0.201,611 0.125,612 -0.108,613 -0.095,614 0.002,615 0.016,616 -0.027,618 0.033,619 0.155,620 0.004,621 -0.068,622 0.078,623 -0.015,624 0.057,625 -0.007,626 0.005,627 -0.103,628 -0.145,629 -0.023,630 -0.096,631 -0.064,632 -0.076,633 0.066,634 0.036,635 0.227,636 0.17,637 0.043,638 0.218,639 0.201,640 0.142,641 0.149,642 0.174,643 0.315,644 0.162,645 -0.147,646 -0.047,647 -0.149,648 -0.055,649 -0.075,650 -0.064,651 -0.083,652 -0.014,653 -0.101,654 -0.063,655 -0.092,656 -0.075,657 4.908,658 5.758,659 0.757,660 50.244,661 1.022,662 1.131,663 1.674,664 2.803,665 0.696,666 3.738,667 4.078,668 4.317,669 4.543,670 4.82,671 4.883,672 4.977,673 5.124,674 5.318,675 5.412,676 8.92,677 0.671,678 543.07,679 3.738,680 5.293,681 6.138,682 7.015,683 7.876,684 8.756,685 9.624,686 10.508,687 11.38,688 12.266,689 9.8,692 1,694 2,699 3,703 2,704 10,705 3,709 7,711 23,724 1,730 2,731 61,733 25,734 2,735 41,737 65,738 25,739 19,740 5,741 7,746 5,747 6,748 1,761 19,762 6,766 2,769 1,771 2,779 1,781 24,782 10,783 2,784 12,785 2,790 6,794 0.8,795 3,802 1,805 1,812 5,816 1,836 1,839 1,840 4,842 1,845 1,846 1,848 37,852 1,854 6,855 2,856 1,859 1,869 2,870 4.9,873 2,874 1,877 18.583,878 10.836,879 7.958,880 3.531,881 4.359,882 1.509,883 1.017,884 7.723,885 12.915,886 4.016,887 4.659,888 5.205,889 5.779,890 6.397,891 6.727,892 7.135,893 7.579,894 8.078,895 8.393,896 0.909,897 59,898 14.017,900 6.391,901 7.947,902 25.827,904 21.494,905 2.447,906 90.528,910 258.964,911 146.807,912 87.897,913 39.149,914 55.313,915 14.96,916 5.807,917 141,918 353.426,919 102.857,921 17.608,922 81.617,923 163.627,924 45.307,925 59.508,926 235.422,928 258.964,929 228.897,930 70.273,931 44.956,933 273.924,934 44.313,935 11,937 43.115,938 101.009,939 90.58,940 39.149,941 273.924,942 143.209,943 185.956,945 5.807,946 258.964,947 47.095,948 97.029,949 34.416,950 159.778,951 258.964,952 158.17,953 185.956,955 0.588,956 0.334,957 0.17,958 0.098,959 28,960 12,961 0.123,962 8,963 1,964 1.071,965 4.824,966 354.707,967 0.071,968 28,969 182.75,973 1,974 25.616,975 11.155,976 6.28,977 1.402,978 158.17,979 14.908,980 13.319,984 1.532,986 34.416,987 603.09,988 54.5,991 -3.991,993 25.516,999 62.342,1000 68.974,1001 0.319,1002 0.654,1003 0.807,1004 0.906,1005 0.906,1006 0.906,1007 5.261,1008 1.644,1009 6.142,1010 6.301,1011 4.762,1012 5.347,1013 1.324,1014 6.961,1015 4.63,1016 6.492,1017 1.597,1018 7.712,1019 4.776,1020 4.443,1021 5.366,1022 0.325,1023 8.05,1024 4.214,1025 7.831,1026 1.552,1027 9.391,1028 4.503,1029 6.405,1030 7.657,1031 0.958,1032 11.078,1033 6.15,1034 9.212,1035 1.414,1036 11.14,1037 3.937,1038 6.899,1039 8.497,1040 0.268,1041 13.029,1042 6.539,1043 10.629,1044 1.383,1045 12.936,1046 3.68,1047 8.361,1048 10.31,1049 0.736,1050 15.654,1051 7.971,1052 12.072,1053 1.078,1054 14.767,1055 3.232,1056 9.225,1057 11.514,1058 0.188,1059 17.948,1060 8.733,1061 13.536,1062 1,1063 16.624,1064 2.375,1065 10.5,1066 13.148,1067 0.57,1068 20.474,1069 9.962,1070 3.4,1071 1,1072 18.503,1073 2.275,1074 11.539,1075 14.521,1076 0.125,1077 22.903,1078 10.904,1079 3.036,1080 12.528,1081 20.4,1082 2.136,1083 12.748,1084 16.084,1085 0.439,1086 25.412,1087 12.051,1088 2.832,1089 9.719,1090 22.312,1091 4.709,1092 13.87,1093 17.537,1094 0.082,1095 27.896,1096 13.079,1097 2.54,1098 8.99,1099 24.235,1100 4.399,1101 15.061,1102 19.074,1103 0.334,1104 30.408,1105 14.197,1106 2.499,1107 8.041,1108 26.169,1109 3.93,1110 16.224,1111 20.565,1112 0.054,1113 32.915,1114 15.267,1115 2.383,1116 6.981,1117 28.111,1118 3.402,1119 17.415,1120 22.094,1121 0.252,1122 35.432,1123 16.376,1124 2.23,1125 6.639,1126 30.061,1127 3.309,1128 18.599,1129 23.605,1130 0.035,1131 37.949,1132 17.466,1133 22184,1134 39861,1135 27.622,1136 42.455,1137 61.19,1138 63.311,1139 62.225,1140 61.267,1141 61.156,1142 81.039,1143 4.12,1144 176.98,1145 56.993,1146 5.86,1147 6.686,1148 7.113,1149 5.423,1150 5.4,1151 7.709,1152 1.72,1153 19.92,1154 5.1,1155 16.661,1156 1.492,1157 1.544,1158 1.518,1159 1.494,1160 1.492,1161 1.977,1162 0.1,1163 4.317,1164 1.39,1165 4.119,1166 4.134,1167 4.738,1168 4.079,1169 8.201,1170 4.029,1171 4.037,1172 4.035,1173 4.065,1174 3.974,1175 7.717,1176 3.946,1177 3.835,1178 3.887,1179 3.922,1180 3.718,1181 6.999,1182 3.729,1183 3.8,1184 3.847,1185 3.721,1186 3.594,1187 5.096,1188 3.607,1189 3.608,1190 3.613,1191 3.69,1192 3.511,1193 5.004,1194 3.451,1195 3.507,1196 3.544,1197 3.493,1198 3.338,1199 4.629,1200 3.341,1201 3.288,1202 3.344,1203 3.28,1204 3.121,1205 4.582,1206 3.118,1207 3.111,1208 3.206,1209 3.089,1210 2.941,1211 4.47,1212 2.91,1213 0.119,1214 0.114,1215 0.178,1216 0.105,1217 0.083,1218 4.86,1219 0.115,1220 4.686,1221 0.021,1222 7.311,1223 0.306,1224 4.319,1225 0.076,1226 3.4,1227 4.709,1228 0.86,1229 12.528,1230 3.1,1231 2.03,1232 2.009,1233 2.088,1234 2.134,1235 1.263,1236 2.125,1237 1.951,1238 1.956,1239 1.966,1240 2.031,1241 1.205,1242 2.059,1243 1.779,1244 1.744,1245 1.961,1246 1.988,1247 1.146,1248 1.985,1249 1.735,1250 1.675,1251 1.829,1252 1.9,1253 0.978,1254 1.889,1255 1.49,1256 1.463,1257 1.707,1258 1.705,1259 0.898,1260 1.713,1261 1.393,1262 1.391,1263 1.513,1264 1.569,1265 0.825,1266 1.597,1267 1.253,1268 1.2,1269 1.455,1270 1.438,1271 0.562,1272 1.448,1273 1.153,1274 1.064,1275 1.193,1276 1.376,1277 0.473,1278 1.429,1279 4.419,1281 5.753,1283 7.28,1285 8.891,1287 10.545,1290 6.184,1291 13.215,1295 4.979,1296 5.753,1297 5.38,1300 2.332,1305 40.939,1306 115.375,1307 236.781,1308 291.775,1309 327.775,1310 327.775,1311 327.775,1312 80.405,1313 8.556,1314 109.34,1315 117.72,1316 30,1317 12.801,1318 4.7,1319 3.858,1320 56.954,1321 196,1322 217,1323 0.138,1324 254.827,1325 438.78,1326 613.538,1327 76646,1328 3.3,1329 25.83,1330 0.698,1331 0.575,1332 25.71,1333 21.266,1334 17.87,1335 0.436,1336 0.329,1337 11.577,1338 16.026,1339 11.248,1340 9.211,1341 18.586,1342 13.485,1343 16.667,1344 0.287,1345 0.181,1346 17.717,1347 10.502,1348 13.691,1349 0.185,1350 0.103,1351 14.751,1352 7.603,1353 10.937,1354 0.118,1355 0.056,1356 12.076,1357 5.202,1358 9.288,1359 0.076,1360 0.03,1361 10.513,1362 3.709,1363 0.222,1364 124.237,1365 0.19,1366 34.293,1367 0.361,1368 198,1369 685.628,1370 273.14,1371 682.476,1372 907.11,1373 632,1374 231,1375 605.485,1376 310.239,1377 651.883,1378 952.95,1379 611,1380 7.639}
{0 CHEMBL1914737,1 1.932,2 12.258,3 4.403,4 19.382,5 119.867,6 9.541,7 0.676,8 4.001,9 4.091,10 3.903,11 3.619,12 5.194,13 3.598,14 4.506,15 4.644,16 4.236,17 3.985,18 5.926,19 3.966,20 4.712,21 4.854,22 4.343,23 4.14,24 6.052,25 4.09,26 4.815,27 5.002,28 4.275,29 4.098,30 6.083,31 4.021,32 4.72,33 4.907,34 4.246,35 3.99,36 6.076,37 3.948,38 4.553,39 4.709,40 4.176,41 3.96,42 6.055,43 3.904,44 4.589,45 4.762,46 4.094,47 3.964,48 5.837,49 3.878,50 4.525,51 4.699,52 4.001,53 3.849,54 5.797,55 3.776,56 0.15,57 0.819,58 7.834,59 4.3,60 17.246,61 4.228,62 0.509,63 1.278,64 15,65 6.802,66 52.944,67 7.12,68 0.525,69 1.556,70 19.416,71 9.289,72 47.679,73 9.247,74 0.726,75 1.539,76 35.176,77 10.899,78 82.769,79 10.929,80 0.817,81 1.356,82 25.584,83 8.961,84 110.179,85 9.39,86 0.634,87 1.256,88 16.958,89 7.748,90 87.427,91 8.552,92 0.527,93 1.202,94 25.784,95 8.894,96 53.815,97 9.554,98 0.526,99 1.133,100 22.619,101 7.944,102 57.31,103 8.62,104 38,105 50,106 0.321,107 0.626,108 0.751,109 0.834,110 0.834,111 0.834,112 3.472,113 0.968,114 -3.56,115 -3.53,116 -3.37,119 43.8,124 2,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 2,175 4,178 2,180 1,183 7,186 2,187 10,190 1,192 4,195 7,199 12,204 3,207 2,211 2,212 9,217 2,220 3,223 1,224 7,229 1,232 8,236 1,237 7,240 1,245 7,249 1,250 3,253 1,258 6,262 2,263 1,266 1,271 6,275 1593,276 20.281,277 20.281,278 20.281,279 20.281,280 20.281,281 17.314,282 14.115,283 11.541,284 20.911,285 16.743,286 16.743,287 16.743,288 16.743,289 16.743,290 12.194,291 13.463,292 5.474,293 17.878,294 3.653,295 1.823,296 1.073,297 0.573,298 0.573,299 0.573,300 4.162,302 1,304 1,305 1,306 818,307 3.808,311 378.301,315 143.096,318 1.896,319 45.047,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.333,331 380,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.8,339 12.528,340 3.1,341 4.489,342 3.189,343 6.343,344 4.02,345 3.05,346 4.403,348 9.754,349 2.964,350 4.254,351 3.077,352 6.153,353 3.8,354 2.858,355 3.932,357 9.069,358 2.696,359 3.912,360 2.874,361 5.903,362 3.529,363 2.601,364 3.406,366 8.145,367 2.398,368 3.826,369 2.823,370 5.769,371 3.367,372 2.415,373 3.337,375 7.67,376 2.288,377 3.709,378 2.525,379 5.14,380 3.298,381 2.362,382 3.076,384 6.301,385 2.178,386 3.097,387 1.987,388 4.734,389 2.59,390 1.644,391 2.387,393 4.776,394 1.544,395 3.08,396 1.648,397 4.499,398 2.55,399 1.599,400 2.292,402 4.516,403 1.515,404 2.911,405 1.599,406 4.313,407 2.422,408 1.461,409 2.095,411 3.985,412 1.393,413 2.827,414 1.51,415 4.144,416 2.297,417 1.383,418 1.95,420 3.683,421 1.217,422 2.5,423 1.337,424 3.786,425 2.149,426 1.211,427 1.5,428 2.903,429 1.127,430 2.5,431 1,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.142,439 0.753,440 3.271,441 1.635,442 0.692,443 0.994,445 1.678,446 0.649,447 1.502,448 0.67,449 3.216,450 1.069,451 0.217,452 0.266,454 0.534,455 0.164,456 1.12,457 0.531,458 2.773,459 0.696,460 -0.203,461 -0.251,463 -0.457,464 -0.171,465 15,466 0.484,467 1.033,468 0.033,469 46.5,470 1.5,471 26,472 0.839,473 20.5,474 0.661,475 22.502,476 0.726,477 32.4,478 0.675,479 37.997,480 1.226,481 9.129,482 0.294,483 5.596,484 0.181,485 0.178,486 0.056,487 0.327,491 1,493 0.549,494 1.227,495 0.652,496 1.128,497 0.623,498 0.857,499 0.669,500 0.936,501 0.697,502 0.789,503 0.55,504 0.73,505 0.962,506 1.117,507 0.953,508 1.097,509 0.936,510 1.059,511 1.166,512 0.976,513 1.15,514 1.072,515 1.127,516 1.026,517 0.919,518 0.764,519 0.766,520 0.772,521 1.021,522 0.814,523 0.614,524 0.945,525 0.844,526 0.937,527 0.488,528 0.987,529 0.985,530 0.879,531 1.356,532 1.069,533 0.827,534 1.059,535 0.998,536 0.935,537 1.186,538 1.086,539 0.999,540 1.094,541 8.5,542 0.26,543 4.889,544 2.063,545 2.262,546 1.444,547 0.772,548 0.637,549 0.414,550 0.304,551 12884,552 44717,553 2.038,554 35.4,556 14,558 2,559 1,564 1.737,565 1.869,566 3.591,567 -0.265,569 1,573 92.743,574 1.932,575 3.762,576 4.512,577 5.012,578 5.012,579 5.012,580 3.087,581 4.696,582 4.926,583 3.734,584 1736.51,585 8.606,586 24594.9,591 268.078,592 1.663,593 4.859,594 0.25,595 0.01,596 0.098,597 0.04,598 0.05,599 0.033,600 0.018,601 0.016,602 0.012,603 0.01,604 0.536,605 0.33,606 1,607 0.778,608 161.121,609 0.028,610 -0.201,611 0.127,612 -0.125,613 -0.128,614 -0.007,615 0.121,616 0.066,617 0.075,618 0.12,619 0.183,620 0.129,621 -0.079,622 -0.081,623 -0.081,624 -0.116,625 -0.054,626 -0.158,627 -0.205,628 -0.061,629 -0.075,630 -0.035,631 -0.147,632 -0.036,633 0.033,634 0.052,635 0.153,636 0.138,637 -0.014,638 0.149,639 0.249,640 0.025,641 0.049,642 -0.01,643 0.336,644 -0.055,645 -0.126,646 -0.007,647 -0.161,648 -0.055,649 -0.06,650 -0.057,651 -0.078,652 -0.07,653 -0.105,654 -0.112,655 -0.097,656 -0.105,657 4.887,658 5.646,659 0.71,660 30.385,661 1.026,662 1.125,663 2.33,664 5.431,665 0.723,666 3.555,667 3.932,668 4.174,669 4.394,670 4.691,671 4.787,672 4.868,673 4.97,674 5.159,675 5.209,676 7.123,677 0.7,678 457.95,679 3.555,680 5.13,681 5.984,682 6.876,683 7.75,684 8.643,685 9.522,686 10.416,687 11.299,688 12.194,689 10.4,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 48,733 25,734 2,735 34,737 51,738 21,739 19,740 5,741 7,746 4,747 5,748 1,761 19,762 2,766 2,769 1,771 2,778 1,779 1,781 17,782 8,783 1,784 10,785 2,790 5,794 0.75,795 2,802 1,805 1,812 4,816 1,840 3,842 1,844 2,845 1,846 1,848 31,852 1,855 1,859 1,869 2,870 4.2,873 2,877 16.583,878 9.419,879 6.569,880 2.577,881 4.367,882 1.552,883 1.018,884 5.696,885 12.272,886 3.882,887 4.58,888 5.155,889 5.743,890 6.377,891 6.723,892 7.131,893 7.55,894 8.055,895 8.359,896 1,897 52,898 11.741,900 5.398,901 8.065,902 21.175,904 17.431,905 2.565,906 79.528,909 1,910 188.338,911 145.993,912 69.886,913 39.149,914 44.313,915 14.96,916 5.807,917 140.185,918 271.799,919 84.846,920 16.793,922 81.617,923 134.617,924 45.307,925 59.508,926 164.795,928 188.338,929 210.071,930 59.273,931 44.956,933 203.298,934 44.313,937 22.383,938 120.926,939 72.569,940 39.149,941 203.298,942 114.199,943 185.141,945 5.807,946 188.338,947 29.488,948 113.822,949 16.405,950 148.778,951 188.338,952 129.159,953 185.141,955 0.602,956 0.343,957 0.167,958 0.1,959 25,960 12,961 0.098,962 5,963 1,964 1.091,965 4.118,966 284.479,967 0.091,968 22,969 145.58,973 1,974 21.29,975 8.293,976 4.555,977 1.417,978 129.159,979 14.825,980 13.087,984 1.6,986 16.405,987 502.638,988 47.5,991 -3.97,993 25.292,999 49.262,1000 54.02,1001 0.346,1002 0.674,1003 0.808,1004 0.897,1005 0.897,1006 0.897,1007 5.134,1008 1.599,1009 6.023,1010 4.776,1011 4.615,1012 5.268,1013 0.673,1014 6.88,1015 4.492,1016 6.405,1017 1.461,1018 7.626,1019 4.516,1020 4.443,1021 5.366,1022 0.325,1023 8.046,1024 4.214,1025 7.766,1026 1.383,1027 9.335,1028 3.985,1029 6.308,1030 7.633,1031 0.379,1032 11.064,1033 6.062,1034 9.166,1035 1.211,1036 11.108,1037 3.683,1038 6.899,1039 8.502,1040 0.268,1041 13.04,1042 6.538,1043 10.598,1044 1,1045 12.922,1046 2.903,1047 8.312,1048 10.308,1049 0.239,1050 15.664,1051 7.928,1052 12.053,1053 0.692,1054 14.767,1055 2.275,1056 9.231,1057 11.521,1058 0.188,1059 17.962,1060 8.737,1061 13.527,1062 0.217,1063 16.634,1064 1.678,1065 10.485,1066 13.153,1067 0.156,1068 20.487,1069 9.949,1070 3.4,1071 -0.203,1072 18.52,1073 0.534,1074 11.551,1075 14.528,1076 0.125,1077 22.914,1078 10.913,1079 3.05,1080 12.528,1081 20.42,1082 -0.457,1083 12.752,1084 16.09,1085 0.102,1086 25.422,1087 12.055,1088 2.858,1089 9.754,1090 22.334,1091 4.709,1092 13.885,1093 17.543,1094 0.082,1095 27.904,1096 13.092,1097 2.601,1098 9.069,1099 24.258,1100 4.403,1101 15.074,1102 19.08,1103 0.066,1104 30.414,1105 14.208,1106 2.415,1107 8.145,1108 26.192,1109 3.932,1110 16.241,1111 20.571,1112 0.054,1113 32.919,1114 15.282,1115 2.362,1116 7.67,1117 28.133,1118 3.406,1119 17.431,1120 22.099,1121 0.043,1122 35.436,1123 16.39,1124 1.644,1125 6.301,1126 30.081,1127 3.337,1128 18.615,1129 23.61,1130 0.035,1131 37.952,1132 17.482,1133 12350,1134 23266,1135 22.076,1136 34.71,1137 52.099,1138 53.693,1139 53.641,1140 51.901,1141 51.787,1142 71.697,1143 1.6,1144 155.635,1145 48.464,1146 5.694,1147 6.686,1148 6.726,1149 5.389,1150 5.4,1151 7.709,1152 1.2,1153 19.92,1154 5.1,1155 18.09,1156 1.532,1157 1.579,1158 1.578,1159 1.527,1160 1.523,1161 2.109,1162 0.047,1163 4.577,1164 1.425,1165 4.118,1166 4.132,1167 4.738,1168 4.079,1169 8.201,1170 4.028,1171 4.038,1172 4.036,1173 4.065,1174 3.975,1175 7.717,1176 3.947,1177 3.827,1178 3.863,1179 3.923,1180 3.718,1181 6.999,1182 3.729,1183 3.619,1184 3.657,1185 3.719,1186 3.513,1187 5.091,1188 3.46,1189 3.547,1190 3.56,1191 3.528,1192 3.382,1193 5.001,1194 3.378,1195 3.232,1196 3.297,1197 3.293,1198 3.054,1199 4.584,1200 3.054,1201 2.955,1202 3.013,1203 3.013,1204 2.834,1205 4.469,1206 2.826,1207 2.874,1208 3.009,1209 2.834,1210 2.735,1211 4.283,1212 2.715,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.86,1219 0.139,1220 4.686,1221 0.024,1222 7.311,1223 0.368,1224 4.319,1225 0.091,1226 3.4,1227 4.709,1228 0.8,1229 12.528,1230 3.1,1231 2.031,1232 2.01,1233 2.088,1234 2.135,1235 1.207,1236 2.126,1237 1.951,1238 1.956,1239 1.964,1240 2.03,1241 1.147,1242 2.059,1243 1.775,1244 1.743,1245 1.85,1246 1.91,1247 0.931,1248 1.901,1249 1.535,1250 1.485,1251 1.751,1252 1.755,1253 0.837,1254 1.765,1255 1.395,1256 1.41,1257 1.417,1258 1.566,1259 0.541,1260 1.595,1261 1.196,1262 1.131,1263 1.409,1264 1.388,1265 0.469,1266 1.4,1267 0.934,1268 0.885,1269 1.189,1270 1.239,1271 0.41,1272 1.308,1273 0.934,1274 0.821,1275 1.181,1276 1.107,1277 0.218,1278 1.122,1279 4.234,1281 5.595,1283 7.146,1285 8.778,1287 10.452,1289 3.755,1290 6.127,1291 13.128,1296 2.414,1300 1.852,1305 33.622,1306 92.743,1307 180.594,1308 216.568,1309 240.568,1310 240.568,1311 240.568,1312 69.492,1313 7.905,1314 88.08,1315 96.46,1316 24,1317 12.722,1318 4.7,1319 3.858,1320 49.454,1321 133,1322 137,1323 0.182,1324 213.061,1325 362.15,1326 511.628,1327 30981,1328 4.2,1329 22.173,1330 0.715,1331 0.584,1332 22.053,1333 18.115,1334 14.725,1335 0.433,1336 0.323,1337 9.12,1338 13.09,1339 8.699,1340 7.238,1341 15.441,1342 10.974,1343 14.37,1344 0.287,1345 0.18,1346 15.42,1347 8.988,1348 11.616,1349 0.181,1350 0.097,1351 12.676,1352 6.211,1353 9.049,1354 0.113,1355 0.052,1356 10.187,1357 4.156,1358 7.787,1359 0.072,1360 0.028,1361 9.011,1362 3.036,1363 0.286,1364 104.045,1365 0.213,1366 29.079,1367 0.495,1368 168,1369 597.559,1370 238.208,1371 607.384,1372 806.23,1373 558,1374 198,1375 540.159,1376 272.611,1377 591.928,1378 861.18,1379 551,1380 7.357}
{0 CHEMBL1914738,1 1.856,2 13.647,3 5.32,4 28.299,5 132.009,6 9.055,7 0.605,8 4.134,9 4.229,10 3.987,11 3.757,12 5.248,13 3.727,14 4.681,15 4.822,16 4.325,17 4.151,18 5.999,19 4.112,20 4.96,21 5.152,22 4.422,23 4.301,24 6.142,25 4.227,26 4.972,27 5.173,28 4.358,29 4.238,30 6.152,31 4.15,32 4.881,33 5.083,34 4.345,35 4.136,36 6.166,37 4.086,38 4.736,39 4.913,40 4.279,41 4.115,42 6.145,43 4.054,44 4.737,45 4.911,46 4.203,47 4.131,48 5.925,49 4.04,50 4.705,51 4.883,52 4.121,53 4.05,54 5.891,55 3.964,56 0.131,57 0.919,58 10.143,59 5.096,60 20.218,61 5.464,62 0.469,63 1.494,64 18.606,65 8.529,66 58.818,67 9.719,68 0.602,69 1.886,70 31.585,71 12.39,72 65.041,73 14.137,74 0.689,75 1.782,76 41.486,77 12.846,78 87.068,79 14.142,80 0.826,81 1.598,82 31.628,83 10.508,84 112.066,85 11.958,86 0.682,87 1.497,88 23.018,89 9.151,90 100.548,91 10.694,92 0.486,93 1.407,94 29.066,95 10.232,96 54.593,97 11.54,98 0.489,99 1.355,100 26.792,101 9.706,102 56.667,103 11.279,104 17,105 55,106 0.3,107 0.612,108 0.755,109 0.841,110 0.841,111 0.841,112 3.561,113 1.004,114 -4.19,115 -4.13,116 -3.9,119 43.6,121 3,125 2,142 8,143 2,144 3,145 2,146 2,147 2,172 9,174 2,175 6,178 2,180 1,183 8,186 2,187 11,190 1,192 4,195 7,199 14,204 3,207 2,211 2,212 12,217 2,220 3,223 1,224 8,229 1,232 10,236 1,237 7,240 1,245 12,249 1,250 3,253 1,258 12,262 2,263 1,266 1,271 10,275 2108,276 22.85,277 22.85,278 22.85,279 22.85,280 22.85,281 19.883,282 17.278,283 13.258,284 23.481,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 14.228,291 16.999,292 6.33,293 19.919,294 3.925,295 1.999,296 1.118,297 0.582,298 0.582,299 0.582,300 4.267,302 1,305 1,306 1022,307 3.464,311 525.337,315 154.9,318 2.08,319 46.955,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 74.333,331 464,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.8,339 12.528,340 3.1,341 4.492,342 3.194,343 6.359,344 4.026,345 3.06,346 4.404,348 9.815,349 2.966,350 4.257,351 3.143,352 6.197,353 3.826,354 2.884,355 3.932,357 9.239,358 2.717,359 3.948,360 2.886,361 6.008,362 3.611,363 2.679,364 3.409,366 8.574,367 2.49,368 3.833,369 2.872,370 5.84,371 3.398,372 2.446,373 3.348,375 7.954,376 2.31,377 3.747,378 2.556,379 5.14,380 3.31,381 2.373,382 3.109,384 6.301,385 2.189,386 3.102,387 1.988,388 4.734,389 2.797,390 1.823,391 2.39,393 4.776,394 1.774,395 3.082,396 1.873,397 4.542,398 2.59,399 1.644,400 2.293,402 4.684,403 1.544,404 3.02,405 1.645,406 4.449,407 2.546,408 1.595,409 2.156,411 4.424,412 1.51,413 2.857,414 1.576,415 4.263,416 2.395,417 1.423,418 1.973,420 3.869,421 1.374,422 2.824,423 1.448,424 4.142,425 2.296,426 1.383,427 1.942,428 3.676,429 1.212,430 2.5,431 1.243,432 3.511,433 2.104,434 1.147,435 1.5,436 2.698,437 1.092,438 2.33,439 1.077,440 3.414,441 2,442 1,443 1.301,445 2.275,446 1,447 2.12,448 1,449 3.28,450 1.984,451 1,452 1,454 2.136,455 0.983,456 2,457 0.758,458 3.247,459 1.649,460 0.703,461 0.995,463 1.714,464 0.661,465 16.5,466 0.485,467 0.957,468 0.028,469 48.5,470 1.426,471 26,472 0.765,473 22.5,474 0.662,475 27.686,476 0.814,477 35.7,478 0.649,479 39.006,480 1.147,481 9.037,482 0.266,483 7.35,484 0.216,485 0.101,486 0.051,487 0.297,491 1,493 0.532,494 1.206,495 0.657,496 1.107,497 0.583,498 0.871,499 0.611,500 1.063,501 0.733,502 0.946,503 0.505,504 0.919,505 0.876,506 0.994,507 0.856,508 0.96,509 0.792,510 0.941,511 1.105,512 0.996,513 1.081,514 1.051,515 1.049,516 1.003,517 0.913,518 0.803,519 0.743,520 0.762,521 0.983,522 0.792,523 0.676,524 0.892,525 0.834,526 0.852,527 0.501,528 0.91,529 0.971,530 0.889,531 1.307,532 1.059,533 0.804,534 1.059,535 0.917,536 0.943,537 1.121,538 1.087,539 0.92,540 1.103,541 8,542 0.252,543 4.889,544 2,545 2.133,546 1.458,547 0.791,548 0.634,549 0.418,550 0.268,551 17818,552 54379,553 2.12,554 38.2,555 2,556 12,558 2,559 1,561 4,564 1.76,565 1.99,566 3.736,567 -0.304,573 102.087,574 1.856,575 3.782,576 4.663,577 5.2,578 5.2,579 5.2,580 3.231,581 4.418,582 5.058,583 3.87,584 2170.88,585 8.868,586 33167.8,591 317.975,592 1.501,593 5.017,594 0.211,595 0.008,596 0.089,597 0.035,598 0.043,599 0.029,600 0.016,601 0.014,602 0.01,603 0.007,604 0.462,605 0.33,606 0.75,607 0.513,608 182.706,609 0.04,610 -0.165,611 0.129,612 -0.094,613 -0.085,614 0.009,615 0.147,616 -0.062,617 0.03,618 -0.03,619 0.197,620 -0.034,621 -0.022,622 -0.01,623 0.047,624 0.019,625 0.022,626 0.026,627 -0.153,628 -0.076,629 -0.026,630 -0.029,631 -0.094,632 -0.014,633 0.047,634 0.042,635 0.166,636 0.139,637 0.003,638 0.157,639 0.201,640 0.098,641 0.054,642 0.062,643 0.304,644 0.018,645 -0.123,646 0.014,647 -0.167,648 -0.06,649 -0.054,650 -0.082,651 -0.045,652 -0.065,653 -0.096,654 -0.12,655 -0.066,656 -0.12,657 4.89,658 5.733,659 0.824,660 37.176,661 1.019,662 1.125,663 2.959,664 8.754,665 0.713,666 3.664,667 4.025,668 4.29,669 4.533,670 4.828,671 4.913,672 5.037,673 5.182,674 5.375,675 5.468,676 7.757,677 0.685,678 498.02,679 3.664,680 5.231,681 6.089,682 6.978,683 7.853,684 8.744,685 9.625,686 10.518,687 11.401,688 12.296,689 9.1,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 55,733 25,734 2,735 38,737 59,738 24,739 19,740 5,741 7,746 5,747 6,748 1,755 3,758 3,761 19,762 5,766 2,769 1,771 2,779 1,781 21,782 8,783 1,784 10,785 2,790 5,794 0.8,795 2,802 1,805 1,812 5,816 1,840 4,842 1,845 1,846 1,848 34,852 1,854 5,855 1,859 1,869 2,870 3.6,873 2,877 17.083,878 9.919,879 7.236,880 3.377,881 4.364,882 1.519,883 1.035,884 6.285,885 12.776,886 3.961,887 4.63,888 5.2,889 5.787,890 6.416,891 6.766,892 7.197,893 7.641,894 8.144,895 8.475,896 1,897 57,898 12.914,900 5.985,901 7.942,902 23.844,904 20.252,905 2.442,906 83.028,910 235.422,911 141.015,912 69.886,913 39.149,914 44.313,915 14.96,916 5.807,917 135.207,918 318.884,919 84.846,921 11.815,922 81.617,923 134.617,924 45.307,925 59.508,926 211.88,928 235.422,929 205.093,930 59.273,931 44.956,933 203.298,934 91.397,937 34.198,938 104.134,939 72.569,940 39.149,941 250.382,942 114.199,943 180.164,945 5.807,946 235.422,947 41.303,948 97.029,949 16.405,950 148.778,951 235.422,952 129.159,953 180.164,955 0.594,956 0.343,957 0.175,958 0.103,959 28,960 12,961 0.085,962 5,963 1,964 1.071,965 4.474,966 327.65,967 0.071,968 28,969 162.974,973 1,974 22.825,975 9.362,976 4.965,977 1.507,978 129.159,979 15.169,980 13.51,984 1.827,986 16.405,987 544.745,988 51.5,991 -3.973,993 25.465,999 56.029,1000 61.851,1001 0.321,1002 0.654,1003 0.807,1004 0.899,1005 0.899,1006 0.899,1007 5.214,1008 1.644,1009 6.107,1010 4.776,1011 4.71,1012 5.318,1013 0.673,1014 6.954,1015 4.594,1016 6.459,1017 1.595,1018 7.696,1019 4.684,1020 4.443,1021 5.366,1022 0.325,1023 8.084,1024 4.214,1025 7.81,1026 1.423,1027 9.393,1028 4.424,1029 6.382,1030 7.653,1031 0.379,1032 11.121,1033 6.143,1034 9.201,1035 1.383,1036 11.158,1037 3.869,1038 6.919,1039 8.506,1040 0.268,1041 13.084,1042 6.556,1043 10.626,1044 1.147,1045 12.967,1046 3.676,1047 8.369,1048 10.317,1049 0.239,1050 15.71,1051 7.989,1052 12.077,1053 1,1054 14.809,1055 2.698,1056 9.261,1057 11.525,1058 0.188,1059 17.999,1060 8.764,1061 13.547,1062 1,1063 16.673,1064 2.275,1065 10.53,1066 13.157,1067 0.156,1068 20.52,1069 9.996,1070 3.4,1071 0.703,1072 18.557,1073 2.136,1074 11.583,1075 14.531,1076 0.125,1077 22.941,1078 10.943,1079 3.06,1080 12.528,1081 20.456,1082 1.714,1083 12.79,1084 16.093,1085 0.102,1086 25.444,1087 12.093,1088 2.884,1089 9.815,1090 22.367,1091 4.709,1092 13.916,1093 17.545,1094 0.082,1095 27.921,1096 13.121,1097 2.679,1098 9.239,1099 24.289,1100 4.404,1101 15.106,1102 19.081,1103 0.066,1104 30.428,1105 14.239,1106 2.446,1107 8.574,1108 26.221,1109 3.932,1110 16.269,1111 20.572,1112 0.054,1113 32.93,1114 15.308,1115 2.373,1116 7.954,1117 28.16,1118 3.409,1119 17.458,1120 22.1,1121 0.043,1122 35.444,1123 16.416,1124 1.823,1125 6.301,1126 30.106,1127 3.348,1128 18.64,1129 23.611,1130 0.035,1131 37.958,1132 17.505,1133 16562,1134 29311,1135 25.542,1136 39.233,1137 57.583,1138 59.477,1139 58.675,1140 57.692,1141 57.552,1142 77.456,1143 1.6,1144 170.394,1145 54.174,1146 5.86,1147 6.686,1148 7.113,1149 5.39,1150 5.4,1151 7.709,1152 1.2,1153 19.92,1154 5.1,1155 15.563,1156 1.515,1157 1.565,1158 1.544,1159 1.518,1160 1.515,1161 2.038,1162 0.042,1163 4.484,1164 1.426,1165 4.122,1166 4.139,1167 4.738,1168 4.08,1169 8.201,1170 4.031,1171 4.041,1172 4.038,1173 4.068,1174 3.977,1175 7.717,1176 3.947,1177 3.854,1178 3.903,1179 3.926,1180 3.733,1181 6.999,1182 3.742,1183 3.775,1184 3.823,1185 3.719,1186 3.652,1187 5.09,1188 3.646,1189 3.599,1190 3.582,1191 3.684,1192 3.507,1193 5,1194 3.442,1195 3.376,1196 3.419,1197 3.423,1198 3.252,1199 4.584,1200 3.254,1201 3.111,1202 3.206,1203 3.161,1204 2.941,1205 4.463,1206 2.91,1207 3.012,1208 3.079,1209 2.866,1210 2.88,1211 4.295,1212 2.878,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1221 0.021,1222 7.311,1223 0.33,1224 4.319,1225 0.082,1226 3.4,1227 4.709,1228 0.8,1229 12.528,1230 3.1,1231 2.033,1232 2.011,1233 2.099,1234 2.142,1235 1.398,1236 2.133,1237 1.951,1238 1.957,1239 2.029,1240 2.035,1241 1.203,1242 2.063,1243 1.826,1244 1.775,1245 1.964,1246 1.981,1247 1.146,1248 2,1249 1.745,1250 1.704,1251 1.816,1252 1.879,1253 0.908,1254 1.874,1255 1.426,1256 1.447,1257 1.513,1258 1.588,1259 0.825,1260 1.612,1261 1.321,1262 1.291,1263 1.501,1264 1.482,1265 0.67,1266 1.494,1267 1.153,1268 1.064,1269 1.261,1270 1.376,1271 0.531,1272 1.429,1273 0.968,1274 0.916,1275 1.185,1276 1.203,1277 0.383,1278 1.224,1279 4.344,1281 5.694,1283 7.242,1285 8.873,1287 10.545,1290 6.178,1291 13.19,1295 5.467,1296 2.442,1300 2.245,1305 37.676,1306 102.087,1307 208.026,1308 256.465,1309 285.975,1310 285.975,1311 285.975,1312 71.494,1313 8.412,1314 88.08,1315 96.46,1316 30,1317 12.824,1318 4.7,1319 3.858,1320 50.066,1321 158,1322 164,1323 0.152,1324 234.444,1325 401.69,1326 563.804,1327 60019,1328 3.6,1329 23.709,1330 0.697,1331 0.578,1332 23.588,1333 19.651,1334 16.387,1335 0.431,1336 0.335,1337 10.866,1338 14.766,1339 10.532,1340 8.669,1341 17.103,1342 12.712,1343 15.525,1344 0.282,1345 0.184,1346 16.574,1347 10.142,1348 12.99,1349 0.18,1350 0.103,1351 14.05,1352 7.433,1353 10.477,1354 0.114,1355 0.057,1356 11.615,1357 5.216,1358 9.043,1359 0.073,1360 0.031,1361 10.268,1362 3.844,1363 0.241,1364 113.847,1365 0.198,1366 31.551,1367 0.41,1368 186,1369 615.559,1370 256.874,1371 624.309,1372 835.87,1373 576,1374 220,1375 566.863,1376 295.278,1377 614.923,1378 901.24,1379 577,1380 6.893}
{0 CHEMBL1914739,1 1.979,2 14.444,3 5.224,4 27.289,5 131.47,6 9.709,7 0.575,8 4.15,9 4.239,10 4.041,11 3.754,12 5.33,13 3.746,14 4.711,15 4.841,16 4.432,17 4.147,18 6.227,19 4.142,20 5,21 5.178,22 4.503,23 4.295,24 6.331,25 4.26,26 5.006,27 5.197,28 4.414,29 4.234,30 6.316,31 4.171,32 4.889,33 5.087,34 4.383,35 4.134,36 6.211,37 4.099,38 4.756,39 4.924,40 4.365,41 4.111,42 6.282,43 4.077,44 4.764,45 4.929,46 4.299,47 4.127,48 6.115,49 4.067,50 4.723,51 4.894,52 4.214,53 4.046,54 6.021,55 3.993,56 0.237,57 1.073,58 8.08,59 5.157,60 40.763,61 4.914,62 0.825,63 1.89,64 16.008,65 8.672,66 120.878,67 8.671,68 1.168,69 2.244,70 29.73,71 12.626,72 156.139,73 12.06,74 1.311,75 2.02,76 40.411,77 12.997,78 168.118,79 12.523,80 1.06,81 1.649,82 29.97,83 10.52,84 143.899,85 11.488,86 0.945,87 1.672,88 20.751,89 9.206,90 123.358,91 10.085,92 0.868,93 1.644,94 27.399,95 10.333,96 102.39,97 10.614,98 0.744,99 1.536,100 25.072,101 9.784,102 89.499,103 10.548,104 37,105 60,106 0.32,107 0.641,108 0.771,109 0.841,110 0.841,111 0.841,112 3.616,113 0.96,114 -4.39,115 -4.32,116 -4.08,119 43.6,121 2,125 2,131 1,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 2,175 6,178 2,180 1,183 8,186 2,187 10,190 1,192 4,195 7,199 14,204 3,207 2,211 2,212 11,217 2,220 3,223 1,224 7,229 1,232 10,236 1,237 7,240 1,245 11,249 1,250 3,253 1,258 10,262 2,263 1,266 1,271 8,275 2468,276 23.59,277 23.59,278 23.59,279 23.59,280 23.59,281 20.623,282 20.056,283 13.3,284 24.369,285 19.708,286 19.708,287 19.708,288 19.708,289 19.708,290 15.173,291 21.685,292 6.327,293 21.165,294 3.802,295 1.818,296 1.018,297 0.582,298 0.582,299 0.582,300 4.317,302 1,305 1,306 1135,307 3.873,311 566.53,315 168.123,318 2.222,319 67.672,322 0.75,323 0.83,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.75,330 81.333,331 520,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 1.51,339 12.528,340 3.1,341 4.493,342 3.991,343 6.716,344 4.109,345 3.219,346 4.404,347 0.8,348 10.904,349 2.969,350 4.266,351 3.192,352 6.356,353 4.012,354 3.048,355 3.932,357 9.806,358 2.831,359 4.204,360 3.126,361 6.191,362 3.803,363 2.865,364 3.411,366 9.22,367 2.682,368 3.919,369 2.877,370 5.999,371 3.562,372 2.639,373 3.357,375 8.546,376 2.416,377 3.829,378 2.869,379 5.838,380 3.384,381 2.433,382 3.213,384 7.949,385 2.298,386 3.728,387 2.549,388 5.14,389 3.306,390 2.37,391 3.062,393 6.301,394 2.183,395 3.098,396 1.987,397 4.734,398 2.591,399 1.645,400 2.389,402 4.776,403 1.544,404 3.08,405 1.722,406 4.523,407 2.562,408 1.613,409 2.293,411 4.588,412 1.528,413 2.935,414 1.642,415 4.417,416 2.499,417 1.557,418 2.113,420 4.308,421 1.453,422 2.828,423 1.563,424 4.242,425 2.323,426 1.384,427 1.951,428 3.791,429 1.304,430 2.71,431 1.408,432 4.141,433 2.291,434 1.354,435 1.756,436 3.665,437 1.204,438 2.5,439 1.077,440 3.802,441 2,442 1,443 1.5,445 2.372,446 1,447 2.194,448 1,449 3.414,450 1.984,451 1,452 1.055,454 2.275,455 0.983,456 2,457 0.783,458 3.293,459 1.672,460 0.727,461 1,463 1.757,464 0.683,465 17.071,466 0.474,467 1.25,468 0.035,469 50,470 1.389,471 26,472 0.722,473 24,474 0.667,475 30.39,476 0.844,477 38.729,478 0.704,479 43.213,480 1.2,481 9.56,482 0.266,483 7.534,484 0.209,485 0.131,486 0.078,487 0.287,489 2,491 1,493 0.532,494 1.068,495 0.627,496 1.103,497 0.587,498 0.86,499 0.613,500 0.994,501 0.699,502 0.946,503 0.553,504 0.901,505 1.138,506 1.035,507 0.988,508 0.957,509 1.085,510 0.981,511 1.145,512 0.889,513 1.208,514 1.038,515 1.14,516 1.084,517 0.688,518 0.674,519 0.723,520 0.756,521 0.709,522 0.81,523 0.564,524 0.777,525 0.788,526 0.849,527 0.465,528 0.911,529 0.885,530 0.82,531 1.305,532 1.053,533 0.795,534 1.081,535 0.807,536 0.899,537 1.081,538 1.084,539 0.78,540 1.099,541 10.5,542 0.342,543 5.778,544 2.25,545 2.516,546 1.681,547 0.953,548 0.759,549 0.549,550 0.359,551 20720,552 77681,553 2.073,554 34.5,556 12,558 2,559 1,563 4,564 1.773,565 1.912,566 3.813,567 -0.272,573 108.861,574 1.979,575 3.964,576 4.763,577 5.2,578 5.2,579 5.2,580 3.271,581 4.482,582 5.14,583 3.962,584 2496,585 9.029,586 40068.9,591 317.975,592 1.676,593 5.078,594 0.262,595 0.01,596 0.096,597 0.037,598 0.048,599 0.032,600 0.018,601 0.015,602 0.012,603 0.009,604 0.54,605 0.17,606 0.75,607 0.574,608 197.539,609 0.007,610 -0.127,611 0.109,612 -0.092,613 -0.085,614 0.007,615 0.154,616 -0.021,617 0.039,618 -0.029,619 0.192,620 -0.033,621 -0.175,622 0.007,623 -0.086,624 0.026,625 -0.131,626 -0.031,627 -0.188,628 0.044,629 -0.157,630 -0.017,631 -0.181,632 -0.094,633 0.025,634 -0.004,635 0.187,636 0.133,637 -0.004,638 0.188,639 0.188,640 0.091,641 0.086,642 0.06,643 0.234,644 0.033,645 -0.069,646 0.056,647 -0.187,648 -0.056,649 -0.042,650 -0.1,651 -0.045,652 -0.106,653 -0.067,654 -0.124,655 -0.045,656 -0.093,657 4.952,658 5.726,659 0.778,660 42.284,661 1.037,662 1.137,663 3.162,664 9.995,665 0.711,666 3.714,667 4.111,668 4.344,669 4.575,670 4.89,671 4.997,672 5.088,673 5.247,674 5.464,675 5.58,676 8.226,677 0.699,678 534,679 3.714,680 5.303,681 6.159,682 7.06,683 7.933,684 8.833,685 9.712,686 10.612,687 11.494,688 12.393,689 9.1,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 55,733 25,734 2,735 40,737 59,738 24,739 19,740 5,741 7,746 5,747 6,748 1,755 3,758 3,761 19,762 5,764 2,766 2,769 1,771 2,779 3,781 19,782 10,783 1,784 12,785 2,790 5,794 0.8,795 2,802 1,805 1,812 5,816 1,840 4,842 1,845 1,846 3,848 36,852 1,854 4,855 1,859 1,860 1,869 4,870 3.6,873 2,877 18.833,878 9.955,879 7.486,880 3.198,881 4.362,882 1.507,883 1.035,884 6.44,885 12.957,886 3.998,887 4.677,888 5.222,889 5.799,890 6.429,891 6.785,892 7.211,893 7.661,894 8.173,895 8.516,896 0.9,897 61,898 13.828,900 6.658,901 8.244,902 24.629,904 21.012,905 2.744,906 98.778,910 211.88,911 140.304,912 69.886,913 39.149,914 44.313,915 44.88,916 5.807,917 134.497,918 295.341,919 114.766,921 9.28,922 81.617,923 134.617,924 77.051,925 59.508,926 188.338,928 211.88,929 204.383,930 89.193,931 44.956,933 226.84,934 74.233,936 1.824,937 31.664,938 104.134,939 72.569,940 39.149,941 256.76,942 114.199,943 179.453,945 5.807,946 213.704,947 38.768,948 97.029,949 16.405,950 178.699,951 211.88,952 159.079,953 179.453,955 0.607,956 0.34,957 0.165,958 0.1,959 31,960 14,961 0.085,962 5,963 1,964 1.071,965 4.572,966 354.279,967 0.071,968 28,969 174.117,973 1,974 24.609,975 9.42,976 5.38,977 1.162,978 159.079,979 14.257,980 13.105,984 1.04,986 16.405,987 550.412,988 53.5,991 -4.035,993 25.452,999 57.054,1000 62.53,1001 0.342,1002 0.686,1003 0.824,1004 0.899,1005 0.899,1006 0.899,1007 5.277,1008 1.645,1009 6.217,1010 6.301,1011 4.796,1012 5.366,1013 1.875,1014 7.091,1015 4.658,1016 6.543,1017 1.613,1018 7.83,1019 4.776,1020 4.691,1021 5.472,1022 0.325,1023 8.354,1024 4.405,1025 7.909,1026 1.557,1027 9.551,1028 4.588,1029 6.535,1030 7.698,1031 2.473,1032 11.323,1033 6.249,1034 9.309,1035 1.384,1036 11.335,1037 4.308,1038 7.179,1039 8.565,1040 0.268,1041 13.345,1042 6.738,1043 10.739,1044 1.354,1045 13.16,1046 3.791,1047 8.581,1048 10.35,1049 3.218,1050 15.938,1051 8.123,1052 12.191,1053 1,1054 15.012,1055 3.665,1056 9.53,1057 11.557,1058 0.188,1059 18.239,1060 8.934,1061 13.659,1062 1,1063 16.884,1064 2.372,1065 10.78,1066 13.177,1067 4.011,1068 20.738,1069 10.142,1070 3.4,1071 0.727,1072 18.771,1073 2.275,1074 11.86,1075 14.548,1076 0.125,1077 23.151,1078 11.102,1079 3.219,1080 12.528,1081 20.671,1082 1.757,1083 13.059,1084 16.104,1085 4.823,1086 25.635,1087 12.237,1088 3.048,1089 10.904,1090 22.581,1091 4.709,1092 14.196,1093 17.554,1094 0.082,1095 28.097,1096 13.268,1097 2.865,1098 9.806,1099 24.5,1100 4.404,1101 15.382,1102 19.087,1103 5.642,1104 30.586,1105 14.377,1106 2.639,1107 9.22,1108 26.426,1109 3.932,1110 16.547,1111 20.577,1112 0.054,1113 33.072,1114 15.443,1115 2.433,1116 8.546,1117 28.359,1118 3.411,1119 17.732,1120 22.103,1121 6.464,1122 35.571,1123 16.543,1124 2.37,1125 7.949,1126 30.298,1127 3.357,1128 18.911,1129 23.613,1130 0.035,1131 38.071,1132 17.627,1133 19434,1134 37837,1135 26.235,1136 39.108,1137 61.492,1138 63.019,1139 62.664,1140 61.25,1141 60.995,1142 80.887,1143 4.62,1144 186.785,1145 56.735,1146 5.86,1147 6.686,1148 6.726,1149 5.39,1150 5.4,1151 7.709,1152 3.02,1153 19.92,1154 5.1,1155 20.266,1156 1.537,1157 1.575,1158 1.567,1159 1.531,1160 1.525,1161 2.022,1162 0.116,1163 4.67,1164 1.418,1165 4.122,1166 4.14,1167 4.738,1168 4.08,1169 8.358,1170 4.032,1171 4.041,1172 4.038,1173 4.07,1174 3.977,1175 8.201,1176 3.947,1177 3.866,1178 3.914,1179 3.928,1180 3.733,1181 7.999,1182 3.745,1183 3.789,1184 3.83,1185 3.752,1186 3.651,1187 7.717,1188 3.658,1189 3.6,1190 3.583,1191 3.719,1192 3.507,1193 6.999,1194 3.443,1195 3.39,1196 3.43,1197 3.45,1198 3.251,1199 5.09,1200 3.26,1201 3.111,1202 3.206,1203 3.202,1204 2.941,1205 5,1206 2.91,1207 3.047,1208 3.11,1209 2.919,1210 2.88,1211 4.584,1212 2.884,1213 0.121,1214 0.117,1215 0.183,1216 0.108,1217 0.085,1218 4.86,1219 0.118,1220 4.686,1221 0.038,1222 7.311,1223 0.313,1224 4.319,1225 0.078,1226 3.4,1227 4.709,1228 1.51,1229 12.528,1230 3.1,1231 2.033,1232 2.011,1233 2.093,1234 2.142,1235 1.33,1236 2.132,1237 1.951,1238 1.957,1239 1.98,1240 2.036,1241 1.201,1242 2.062,1243 1.814,1244 1.77,1245 1.963,1246 1.983,1247 1.145,1248 1.985,1249 1.737,1250 1.697,1251 1.812,1252 1.88,1253 0.905,1254 1.871,1255 1.423,1256 1.446,1257 1.513,1258 1.589,1259 0.825,1260 1.61,1261 1.314,1262 1.286,1263 1.472,1264 1.484,1265 0.59,1266 1.484,1267 1.153,1268 1.064,1269 1.196,1270 1.376,1271 0.506,1272 1.429,1273 0.954,1274 0.911,1275 1.181,1276 1.21,1277 0.31,1278 1.183,1279 4.394,1281 5.771,1283 7.335,1285 8.975,1287 10.653,1290 6.145,1291 40.246,1295 -0.1,1296 2.388,1300 1.78,1301 -2.661,1305 38.442,1306 108.861,1307 218.001,1308 261.975,1309 285.975,1310 285.975,1311 285.975,1312 96.367,1313 8.595,1314 88.08,1315 96.46,1316 30,1317 12.919,1318 4.7,1319 3.858,1320 54.588,1321 178,1322 182,1323 0.148,1324 236.841,1325 413.83,1326 569.651,1327 75019,1328 7.3,1329 25.501,1330 0.708,1331 0.561,1332 23.588,1333 20.2,1334 17.094,1335 0.427,1336 0.32,1337 10.901,1338 15.268,1339 10.601,1340 8.625,1341 17.103,1342 12.797,1343 17.128,1344 0.285,1345 0.174,1346 16.574,1347 10.437,1348 13.724,1349 0.181,1350 0.1,1351 14.05,1352 7.572,1353 10.764,1354 0.112,1355 0.054,1356 11.615,1357 5.156,1358 9.459,1359 0.072,1360 0.029,1361 10.268,1362 3.829,1363 0.236,1364 119.589,1365 0.195,1366 33.119,1367 0.395,1368 200,1369 801.782,1370 281.541,1371 746.155,1372 975.27,1373 686,1374 236,1375 649.529,1376 318.262,1377 682.98,1378 1006.8,1379 641,1380 6.724}
{0 CHEMBL1914740,1 1.791,2 14,3 6.043,4 36.517,5 143.751,6 8.679,7 0.548,8 4.251,9 4.35,10 4.064,11 3.879,12 5.315,13 3.842,14 4.83,15 4.975,16 4.424,17 4.31,18 6.066,19 4.259,20 5.176,21 5.372,22 4.56,23 4.52,24 6.259,25 4.43,26 5.259,27 5.5,28 4.427,29 4.443,30 6.29,31 4.315,32 5.066,33 5.301,34 4.429,35 4.27,36 6.249,37 4.203,38 4.865,39 5.041,40 4.377,41 4.24,42 6.233,43 4.18,44 4.897,45 5.09,46 4.3,47 4.267,48 6.03,49 4.174,50 4.829,51 5,52 4.227,53 4.209,54 5.976,55 4.118,56 0.115,57 1.019,58 12.401,59 5.908,60 20.056,61 6.706,62 0.446,63 1.71,64 22.929,65 10.282,66 63.516,67 12.32,68 0.553,69 2.306,70 39.1,71 15.731,72 71.674,73 19.029,74 0.784,75 2.283,76 56.281,77 17.398,78 102.475,79 21.18,80 0.86,81 1.869,82 41.947,83 13.31,84 120.039,85 16.564,86 0.682,87 1.72,88 26.543,89 10.074,90 106.403,91 12.127,92 0.519,93 1.646,94 35.062,95 11.775,96 62.31,97 13.936,98 0.432,99 1.547,100 29.391,101 11.085,102 53.637,103 13.287,104 17,105 62,106 0.283,107 0.596,108 0.737,109 0.798,110 0.798,111 0.798,112 3.642,113 1.012,114 -4.79,115 -4.7,116 -4.41,119 43.5,121 4,122 2,125 2,142 8,143 2,144 3,145 2,146 2,147 2,172 13,174 2,175 6,178 2,180 1,183 13,186 2,187 14,190 1,192 4,195 10,199 14,204 3,207 2,211 2,212 15,217 2,220 3,223 1,224 11,229 1,232 10,236 1,237 7,240 1,245 15,249 1,250 3,253 1,258 18,262 2,263 1,266 1,271 16,275 2598,276 24.9,277 24.9,278 24.9,279 24.9,280 24.9,281 21.933,282 17.278,283 14.227,284 25.514,285 20.746,286 20.746,287 20.746,288 20.746,289 20.746,290 16.211,291 16.999,292 6.823,293 21.884,294 4.163,295 2.182,296 1.29,297 0.903,298 0.903,299 0.903,300 4.359,302 1,305 1,306 1164,307 3.606,311 552.058,312 250.538,315 164.978,318 2.216,319 48.257,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 80.333,331 518,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.8,339 12.528,340 3.1,341 4.493,342 3.207,343 6.367,344 4.035,345 3.071,346 4.404,348 9.851,349 2.97,350 4.259,351 3.173,352 6.22,353 3.884,354 2.926,355 3.932,357 9.347,358 2.805,359 3.992,360 2.919,361 6.044,362 3.725,363 2.771,364 3.41,366 8.742,367 2.649,368 3.842,369 2.873,370 5.849,371 3.461,372 2.512,373 3.353,375 7.996,376 2.357,377 3.782,378 2.612,379 5.429,380 3.341,381 2.389,382 3.128,384 7.103,385 2.269,386 3.542,387 2.433,388 5.14,389 3.282,390 2.334,391 2.648,393 6.345,394 2.174,395 3.115,396 2.132,397 5.115,398 3.111,399 2.115,400 2.386,402 6.301,403 2.107,404 3.097,405 1.987,406 4.734,407 2.59,408 1.644,409 2.292,411 4.776,412 1.544,413 3.079,414 1.652,415 4.509,416 2.552,417 1.601,418 2.115,420 4.545,421 1.518,422 2.913,423 1.617,424 4.374,425 2.449,426 1.494,427 2.093,428 4.169,429 1.416,430 2.827,431 1.539,432 4.211,433 2.3,434 1.383,435 1.95,436 3.725,437 1.259,438 2.59,439 1.381,440 4.14,441 2.26,442 1.306,443 1.607,445 3.635,446 1.198,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.177,457 1,458 3.414,459 2,460 1,461 1.036,463 2.275,464 1,465 18,466 0.486,467 1.094,468 0.03,469 50.5,470 1.365,471 26,472 0.703,473 24.5,474 0.662,475 34.08,476 0.921,477 39,478 0.629,479 40.775,480 1.102,481 9.018,482 0.244,483 8.819,484 0.238,485 0.093,486 0.046,487 0.328,491 1,493 0.521,494 1.189,495 0.666,496 1.093,497 0.566,498 0.882,499 0.58,500 1.056,501 0.737,502 0.963,503 0.473,504 0.948,505 0.774,506 1.054,507 0.838,508 1.027,509 0.693,510 1.027,511 0.965,512 0.924,513 0.994,514 0.994,515 0.855,516 1.004,517 0.808,518 0.765,519 0.635,520 0.681,521 0.877,522 0.679,523 0.752,524 0.966,525 0.872,526 0.884,527 0.542,528 0.945,529 0.996,530 0.815,531 1.233,532 0.945,533 0.794,534 0.957,535 0.892,536 0.986,537 1.118,538 1.126,539 0.9,540 1.146,541 9.5,542 0.257,543 5.111,544 2.285,545 2.332,546 1.487,547 0.852,548 0.717,549 0.423,550 0.347,551 23289,552 64914,553 2.156,554 40.3,555 8,556 12,558 2,559 1,561 2,564 1.78,565 2.027,566 3.758,567 -0.338,573 111.072,574 1.791,575 3.772,576 4.664,577 5.051,578 5.051,579 5.051,580 3.244,581 4.507,582 5.182,583 3.952,584 2631.76,585 9.111,586 42847.3,591 369.16,592 1.494,593 5.142,594 0.226,595 0.007,596 0.082,597 0.034,598 0.044,599 0.027,600 0.015,601 0.014,602 0.009,603 0.008,604 0.467,605 0.17,606 0.75,607 0.488,608 204.224,609 0.048,610 -0.136,611 0.131,612 -0.069,613 -0.068,614 0.023,615 0.154,616 -0.051,617 0.024,618 -0.035,619 0.209,620 -0.041,621 0.011,622 -0.084,623 0.025,624 -0.06,625 0.05,626 -0.055,627 -0.091,628 -0.043,629 0.021,631 -0.023,632 0.012,633 0.119,634 0.062,635 0.294,636 0.234,637 0.06,638 0.308,639 0.161,640 0.065,641 0.002,642 0.013,643 0.269,644 -0.044,645 -0.131,646 0.11,647 -0.117,648 0.038,649 -0.051,650 0.014,651 -0.042,652 -0.079,653 -0.131,654 -0.162,655 -0.063,656 -0.177,657 4.897,658 5.808,659 0.838,660 42.396,661 1.013,662 1.124,663 3.558,664 12.66,665 0.706,666 3.761,667 4.143,668 4.419,669 4.682,670 5.004,671 5.136,672 5.236,673 5.412,674 5.598,675 5.72,676 8.233,677 0.673,678 538.09,679 3.761,680 5.342,681 6.209,682 7.106,683 7.987,684 8.884,685 9.769,686 10.667,687 11.555,688 12.453,689 8.1,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 62,733 25,734 2,735 42,737 67,738 27,739 19,740 5,741 7,746 6,747 8,748 1,755 4,756 2,758 4,761 19,762 8,763 2,766 2,769 1,771 2,779 1,781 25,782 8,783 1,784 10,785 2,790 5,794 0.667,795 2,802 1,805 1,812 5,813 2,816 1,840 4,842 1,845 1,846 1,848 37,852 1,854 6,855 1,858 2,859 1,869 2,870 3.2,873 2,877 18.25,878 11.086,879 7.736,880 3.877,881 4.359,882 1.481,883 1.036,884 6.419,885 13.414,886 4.034,887 4.696,888 5.254,889 5.832,890 6.457,891 6.813,892 7.238,893 7.695,894 8.206,895 8.549,896 1,897 67,898 14.07,900 6.589,901 7.857,902 26.392,904 23.161,905 2.357,906 87.194,910 282.506,911 143.549,912 69.886,913 39.149,914 44.313,915 14.96,916 5.807,917 137.742,918 365.968,919 84.846,921 14.35,922 81.617,923 134.617,924 45.307,925 59.508,926 258.964,928 282.506,929 207.628,930 59.273,931 44.956,933 273.924,934 67.855,937 36.733,938 104.134,939 72.569,940 39.149,941 297.467,942 114.199,943 182.698,945 5.807,946 282.506,947 43.837,948 97.029,949 16.405,950 148.778,951 282.506,952 129.159,953 182.698,955 0.601,956 0.346,957 0.177,958 0.106,959 33,960 14,961 0.075,962 5,963 4,964 1.194,965 4.721,966 378.106,967 0.258,968 29,969 174.75,973 1,974 24.392,975 9.737,976 5.1,977 1.541,978 129.159,979 15.356,980 13.784,984 1.906,986 16.405,987 594.363,988 55.5,991 -3.98,993 25.615,999 62.796,1000 69.681,1001 0.301,1002 0.634,1003 0.783,1004 0.848,1005 0.848,1006 0.848,1007 5.307,1008 2.115,1009 6.232,1010 6.345,1011 4.828,1012 5.384,1013 0.673,1014 7.083,1015 4.726,1016 6.546,1017 1.644,1018 7.822,1019 6.301,1020 4.575,1021 5.421,1022 0.325,1023 8.179,1024 4.377,1025 7.893,1026 1.601,1027 9.515,1028 4.776,1029 6.506,1030 7.689,1031 0.379,1032 11.216,1033 6.297,1034 9.276,1035 1.494,1036 11.27,1037 4.545,1038 7.031,1039 8.53,1040 0.268,1041 13.14,1042 6.711,1043 10.693,1044 1.383,1045 13.068,1046 4.169,1047 8.476,1048 10.333,1049 0.239,1050 15.764,1051 8.139,1052 12.134,1053 1.306,1054 14.896,1055 3.725,1056 9.353,1057 11.535,1058 0.188,1059 18.032,1060 8.906,1061 13.596,1062 1,1063 16.749,1064 3.635,1065 10.618,1066 13.164,1067 0.156,1068 20.55,1069 10.133,1070 3.4,1071 1,1072 18.621,1073 2.275,1074 11.66,1075 14.535,1076 0.125,1077 22.961,1078 11.071,1079 3.071,1080 12.528,1081 20.51,1082 2.275,1083 12.861,1084 16.095,1085 0.102,1086 25.461,1087 12.216,1088 2.926,1089 9.851,1090 22.412,1091 4.709,1092 13.98,1093 17.547,1094 0.082,1095 27.933,1096 13.236,1097 2.771,1098 9.347,1099 24.327,1100 4.404,1101 15.165,1102 19.082,1103 0.066,1104 30.438,1105 14.35,1106 2.512,1107 8.742,1108 26.252,1109 3.932,1110 16.321,1111 20.573,1112 0.054,1113 32.938,1114 15.411,1115 2.389,1116 7.996,1117 28.186,1118 3.41,1119 17.506,1120 22.101,1121 0.043,1122 35.45,1123 16.515,1124 2.334,1125 7.103,1126 30.128,1127 3.353,1128 18.683,1129 23.611,1130 0.035,1131 37.963,1132 17.597,1133 21200,1134 35890,1135 28.433,1136 43.756,1137 64.213,1138 65.836,1139 65.178,1140 63.864,1141 63.762,1142 83.659,1143 1.6,1144 191.781,1145 60.407,1146 5.86,1147 6.686,1148 6.726,1149 5.391,1150 5.4,1151 7.709,1152 1.2,1153 19.92,1154 5.1,1155 16.565,1156 1.529,1157 1.568,1158 1.552,1159 1.521,1160 1.518,1161 1.992,1162 0.038,1163 4.566,1164 1.438,1165 4.127,1166 4.149,1167 4.738,1168 4.081,1169 8.201,1170 4.036,1171 4.044,1172 4.041,1173 4.072,1174 3.981,1175 7.717,1176 3.948,1177 3.942,1178 3.988,1179 3.931,1180 3.841,1181 6.999,1182 3.832,1183 3.813,1184 3.849,1185 3.814,1186 3.709,1187 5.091,1188 3.718,1189 3.603,1190 3.59,1191 3.719,1192 3.51,1193 5,1194 3.448,1195 3.435,1196 3.478,1197 3.465,1198 3.3,1199 4.584,1200 3.304,1201 3.252,1202 3.325,1203 3.216,1204 3.127,1205 4.468,1206 3.104,1207 3.116,1208 3.206,1209 3.073,1210 2.941,1211 4.351,1212 2.943,1213 0.116,1214 0.112,1215 0.174,1216 0.103,1217 0.081,1218 4.86,1219 0.112,1220 4.686,1221 0.019,1222 7.311,1223 0.298,1224 4.319,1225 0.074,1226 3.4,1227 4.709,1228 0.8,1229 12.528,1230 3.1,1231 2.031,1232 2.01,1233 2.092,1234 2.135,1235 1.518,1236 2.126,1237 1.951,1238 1.956,1239 2.088,1240 2.031,1241 1.226,1242 2.059,1243 1.878,1244 1.827,1245 1.964,1246 2.009,1247 1.175,1248 2.04,1249 1.779,1250 1.746,1251 1.858,1252 1.913,1253 1.14,1254 1.904,1255 1.606,1256 1.551,1257 1.774,1258 1.785,1259 0.902,1260 1.792,1261 1.408,1262 1.435,1263 1.513,1264 1.572,1265 0.825,1266 1.599,1267 1.261,1268 1.221,1269 1.436,1270 1.419,1271 0.566,1272 1.429,1273 1.153,1274 1.064,1275 1.191,1276 1.376,1277 0.485,1278 1.429,1279 4.443,1281 5.808,1283 7.361,1284 3.367,1285 8.992,1286 5.889,1287 10.662,1290 6.22,1291 13.245,1295 7.225,1296 2.462,1299 1.444,1300 2.376,1305 41.729,1306 111.072,1307 233.883,1308 289.16,1309 313.16,1310 313.16,1311 313.16,1312 75.462,1313 9.055,1314 88.08,1315 96.46,1316 37,1317 12.978,1318 4.7,1319 3.858,1320 51.152,1321 184,1322 192,1323 0.133,1324 255.828,1325 441.23,1326 615.98,1327 133767,1328 3.2,1329 25.57,1330 0.691,1331 0.581,1332 25.45,1333 21.513,1334 17.836,1335 0.425,1336 0.337,1337 12.316,1338 16.223,1339 11.942,1340 9.804,1341 18.552,1342 14.161,1343 17.245,1344 0.278,1345 0.192,1346 18.294,1347 11.886,1348 14.578,1349 0.178,1350 0.11,1351 15.639,1352 9,1353 11.912,1354 0.111,1355 0.061,1356 13.05,1357 6.574,1358 10.57,1359 0.071,1360 0.035,1361 11.794,1362 5.203,1363 0.212,1364 122.544,1365 0.188,1366 33.796,1367 0.357,1368 208,1369 637.559,1370 278.874,1371 647.32,1372 870.61,1373 598,1374 248,1375 594.863,1376 323.611,1377 644.741,1378 946.58,1379 605,1380 6.607}
{0 CHEMBL1914741,1 1.874,2 14.972,3 4.244,4 18.009,5 138.343,6 8.95,7 0.575,8 4.204,9 4.297,10 4.038,11 3.796,12 5.326,13 3.773,14 4.758,15 4.898,16 4.377,17 4.184,18 6.059,19 4.157,20 5.014,21 5.191,22 4.483,23 4.351,24 6.202,25 4.289,26 5.077,27 5.273,28 4.417,29 4.327,30 6.235,31 4.235,32 5.033,33 5.258,34 4.387,35 4.231,36 6.239,37 4.162,38 4.866,39 5.07,40 4.334,41 4.171,42 6.213,43 4.108,44 4.79,45 4.954,46 4.278,47 4.176,48 5.998,49 4.099,50 4.791,51 4.969,52 4.203,53 4.118,54 5.983,55 4.043,56 0.156,57 0.971,58 11.122,59 5.553,60 21.428,61 5.953,62 0.605,63 1.559,64 21.504,65 9.221,66 67.408,67 10.229,68 0.723,69 1.957,70 32.513,71 12.808,72 70.245,73 14.191,74 0.864,75 1.927,76 44.61,77 14.072,78 94.392,79 15.694,80 0.95,81 1.792,82 38.925,83 12.599,84 124.059,85 15.397,86 0.845,87 1.628,88 29.493,89 10.571,90 111.602,91 12.999,92 0.575,93 1.473,94 29.932,95 10.637,96 56.843,97 11.956,98 0.565,99 1.472,100 28.716,101 10.257,102 60.419,103 11.965,104 27,105 58,106 0.3,107 0.623,108 0.781,109 0.846,110 0.846,111 0.846,112 3.616,113 0.988,114 -3.64,115 -3.61,116 -3.44,119 42.4,121 2,124 1,125 2,127 1,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 2,175 8,178 2,180 1,183 8,186 2,187 10,190 1,192 4,195 7,198 1,199 14,204 3,207 2,211 2,212 11,217 2,220 3,223 2,224 7,229 1,232 10,236 2,237 7,240 1,245 11,249 1,250 4,253 1,258 10,262 2,263 3,266 1,271 8,275 2498,276 24.168,277 24.168,278 24.168,279 24.168,280 24.168,281 21.201,282 21.591,283 13.843,284 24.978,285 19.657,286 19.657,287 19.657,288 19.657,289 19.657,290 15.122,291 25.06,292 6.506,293 21,294 4.009,295 1.983,296 0.996,297 0.589,298 0.589,299 0.589,300 4.32,302 1,305 1,306 1176,307 3.674,311 567.313,315 168.366,318 2.253,319 51.004,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 79.333,331 539,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.86,339 12.528,340 3.1,341 4.492,342 3.197,343 6.359,344 4.027,345 3.062,346 4.404,347 0.8,348 9.817,349 2.967,350 4.257,351 3.159,352 6.199,353 3.834,354 2.892,355 3.932,357 9.247,358 2.724,359 3.957,360 2.916,361 6.013,362 3.646,363 2.709,364 3.409,366 8.594,367 2.533,368 3.835,369 2.873,370 5.841,371 3.423,372 2.477,373 3.349,375 7.96,376 2.323,377 3.757,378 2.735,379 5.294,380 3.324,381 2.383,382 3.113,384 6.756,385 2.218,386 3.435,387 2.537,388 5.14,389 3.258,390 2.323,391 2.486,393 6.301,394 2.153,395 3.097,396 1.987,397 4.734,398 2.59,399 1.644,400 2.384,402 4.776,403 1.544,404 3.08,405 1.719,406 4.516,407 2.555,408 1.606,409 2.292,411 4.565,412 1.522,413 2.922,414 1.642,415 4.401,416 2.477,417 1.535,418 2.098,420 4.249,421 1.434,422 2.828,423 1.564,424 4.232,425 2.312,426 1.384,427 1.951,428 3.764,429 1.289,430 2.665,431 1.413,432 4.141,433 2.287,434 1.345,435 1.696,436 3.658,437 1.203,438 2.5,439 1.077,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.191,448 1.056,449 3.414,450 1.984,451 1,452 1.054,454 2.275,455 0.983,456 2,457 1,458 3.292,459 1.675,460 0.734,461 1,463 1.753,464 0.686,465 17.333,466 0.481,467 1.025,468 0.028,469 50,470 1.389,471 26,472 0.722,473 24,474 0.667,475 30.543,476 0.848,477 38.467,478 0.652,479 41.818,480 1.162,481 9.576,482 0.266,483 7.743,484 0.215,485 0.125,486 0.048,487 0.312,491 1,493 0.592,494 1.252,495 0.662,496 1.15,497 0.602,498 0.901,499 0.802,500 1.027,501 0.751,502 0.888,503 0.56,504 0.86,505 0.989,506 1.021,507 0.904,508 0.975,509 0.842,510 0.966,511 1.071,512 1.015,513 1.1,514 1.076,515 1.03,516 1.071,517 0.756,518 0.809,519 0.702,520 0.774,521 0.875,522 0.813,523 0.614,524 0.807,525 0.753,526 0.752,527 0.454,528 0.797,529 0.948,530 0.937,531 1.291,532 1.072,533 0.813,534 1.061,535 0.909,536 0.973,537 1.107,538 1.081,539 0.923,540 1.095,541 9,542 0.305,543 5.333,544 2.063,545 2.364,546 1.632,547 0.871,548 0.681,549 0.492,550 0.325,551 20872,552 66113,553 2.096,554 39,556 16,558 2,559 1,562 4,564 1.773,565 1.955,566 3.849,567 -0.3,573 110.573,574 1.874,575 3.9,576 4.887,577 5.294,578 5.294,579 5.294,580 3.361,581 4.538,582 5.138,583 3.981,584 2507.97,585 9.027,586 40361.2,591 347.076,592 1.548,593 5.093,594 0.225,595 0.008,596 0.092,597 0.034,598 0.045,599 0.031,600 0.017,601 0.014,602 0.011,603 0.008,604 0.485,605 0.33,606 0.75,607 0.683,608 197.772,609 0.023,610 -0.188,611 0.129,612 -0.111,613 -0.091,614 -0.002,615 0.057,616 -0.021,617 0.033,618 0.046,619 0.167,620 0.032,621 -0.088,622 -0.012,623 -0.011,624 0.005,625 -0.008,626 -0.019,627 -0.144,628 -0.092,629 -0.074,630 -0.062,631 -0.103,632 -0.087,633 0.077,634 0.016,635 0.211,636 0.134,637 0.037,638 0.182,639 0.215,640 0.159,641 0.16,642 0.171,643 0.321,644 0.172,645 -0.097,646 -0.002,647 -0.165,648 -0.068,649 -0.05,650 -0.093,651 -0.067,652 -0.062,653 -0.104,654 -0.123,655 -0.078,656 -0.123,657 4.905,658 5.764,659 0.778,660 43.21,661 1.021,662 1.127,663 2.413,664 5.824,665 0.703,666 3.714,667 4.078,668 4.344,669 4.575,670 4.875,671 4.984,672 5.1,673 5.236,674 5.447,675 5.565,676 8.296,677 0.677,678 528.05,679 3.714,680 5.283,681 6.142,682 7.031,683 7.906,684 8.797,685 9.677,686 10.57,687 11.453,688 12.347,689 8.5,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 59,733 25,734 2,735 40,737 63,738 25,739 19,740 5,741 7,746 5,747 6,748 1,755 3,758 3,761 19,762 6,766 2,769 1,771 2,779 1,781 23,782 9,783 1,784 11,785 2,790 5,794 0.8,795 3,802 1,805 1,812 5,816 1,839 1,840 4,842 1,844 1,845 1,846 1,848 36,852 1,854 4,855 1,856 1,858 1,859 1,869 2,870 5.1,873 2,874 1,877 18.417,878 10.919,879 7.736,880 3.433,881 4.362,882 1.507,883 1.016,884 6.979,885 12.957,886 3.998,887 4.659,888 5.222,889 5.799,890 6.426,891 6.78,892 7.21,893 7.655,894 8.164,895 8.506,896 1,897 61,898 13.652,900 6.277,901 7.954,902 25.135,904 21.174,905 2.454,906 88.361,910 258.964,911 149.363,912 69.886,913 39.149,914 55.313,915 14.96,916 5.807,917 143.556,918 353.426,919 84.846,920 10.883,921 9.28,922 81.617,923 145.617,924 45.307,925 59.508,926 235.422,928 258.964,929 213.442,930 70.273,931 44.956,933 226.84,934 91.397,935 11,937 31.664,938 115.017,939 72.569,940 39.149,941 273.924,942 125.199,943 188.512,945 5.807,946 258.964,947 38.768,948 107.912,949 16.405,950 159.778,951 258.964,952 140.159,953 188.512,955 0.594,956 0.346,957 0.173,958 0.101,959 29,960 13,961 0.095,962 6,963 1,964 1.071,965 4.62,966 351.718,967 0.071,968 28,969 176.117,973 1,974 24.696,975 10.174,976 5.415,977 1.454,978 140.159,979 15.068,980 13.532,984 1.707,986 16.405,987 587.635,988 53.5,991 -3.988,993 25.529,999 60.24,1000 66.475,1001 0.319,1002 0.663,1003 0.831,1004 0.9,1005 0.9,1006 0.9,1007 5.256,1008 1.644,1009 6.163,1010 6.301,1011 4.762,1012 5.347,1013 1.235,1014 7.009,1015 4.638,1016 6.499,1017 1.606,1018 7.754,1019 4.776,1020 4.511,1021 5.394,1022 0.325,1023 8.132,1024 4.282,1025 7.848,1026 1.535,1027 9.45,1028 4.565,1029 6.438,1030 7.669,1031 0.938,1032 11.158,1033 6.191,1034 9.236,1035 1.384,1036 11.211,1037 4.249,1038 6.976,1039 8.518,1040 0.268,1041 13.107,1042 6.614,1043 10.657,1044 1.345,1045 13.014,1046 3.764,1047 8.416,1048 10.323,1049 0.732,1050 15.728,1051 8.033,1052 12.103,1053 1,1054 14.849,1055 3.658,1056 9.304,1057 11.53,1058 0.188,1059 18.009,1060 8.808,1061 13.569,1062 1,1063 16.707,1064 2.275,1065 10.567,1066 13.16,1067 0.57,1068 20.527,1069 10.031,1070 3.4,1071 0.734,1072 18.585,1073 2.275,1074 11.614,1075 14.533,1076 0.125,1077 22.945,1078 10.975,1079 3.062,1080 12.528,1081 20.478,1082 1.753,1083 12.816,1084 16.094,1085 0.438,1086 25.447,1087 12.12,1088 2.892,1089 9.817,1090 22.385,1091 4.709,1092 13.938,1093 17.546,1094 0.082,1095 27.923,1096 13.145,1097 2.709,1098 9.247,1099 24.304,1100 4.404,1101 15.125,1102 19.082,1103 0.334,1104 30.43,1105 14.26,1106 2.477,1107 8.594,1108 26.232,1109 3.932,1110 16.284,1111 20.572,1112 0.054,1113 32.931,1114 15.326,1115 2.383,1116 7.96,1117 28.169,1118 3.409,1119 17.471,1120 22.101,1121 0.252,1122 35.445,1123 16.432,1124 2.323,1125 6.756,1126 30.113,1127 3.349,1128 18.651,1129 23.611,1130 0.035,1131 37.959,1132 17.519,1133 19572,1134 35195,1135 26.641,1136 41.449,1137 60.333,1138 62.647,1139 62.237,1140 60.479,1141 60.396,1142 80.298,1143 3.32,1144 179.633,1145 56.525,1146 5.86,1147 6.686,1148 6.862,1149 5.39,1150 5.4,1151 7.709,1152 1.72,1153 19.92,1154 5.1,1155 18.489,1156 1.508,1157 1.566,1158 1.556,1159 1.512,1160 1.51,1161 2.007,1162 0.083,1163 4.491,1164 1.413,1165 4.122,1166 4.14,1167 4.738,1168 4.08,1169 8.201,1170 4.032,1171 4.041,1172 4.038,1173 4.069,1174 3.977,1175 7.717,1176 3.947,1177 3.862,1178 3.907,1179 3.927,1180 3.734,1181 6.999,1182 3.744,1183 3.786,1184 3.826,1185 3.72,1186 3.656,1187 5.091,1188 3.657,1189 3.6,1190 3.583,1191 3.712,1192 3.508,1193 5,1194 3.443,1195 3.405,1196 3.445,1197 3.44,1198 3.259,1199 4.645,1200 3.265,1201 3.216,1202 3.287,1203 3.202,1204 2.95,1205 4.583,1206 2.958,1207 3.111,1208 3.206,1209 3.002,1210 2.941,1211 4.453,1212 2.91,1213 0.121,1214 0.117,1215 0.183,1216 0.108,1217 0.085,1218 4.86,1219 0.118,1220 4.686,1221 0.022,1222 7.311,1223 0.313,1224 4.319,1225 0.078,1226 3.4,1227 4.709,1228 0.86,1229 12.528,1230 3.1,1231 2.033,1232 2.011,1233 2.095,1234 2.142,1235 1.381,1236 2.132,1237 1.951,1238 1.957,1239 2.008,1240 2.036,1241 1.203,1242 2.063,1243 1.823,1244 1.777,1245 1.963,1246 1.986,1247 1.145,1248 1.996,1249 1.744,1250 1.707,1251 1.815,1252 1.882,1253 0.907,1254 1.874,1255 1.427,1256 1.448,1257 1.586,1258 1.604,1259 0.825,1260 1.618,1261 1.33,1262 1.302,1263 1.513,1264 1.544,1265 0.661,1266 1.561,1267 1.172,1268 1.093,1269 1.467,1270 1.429,1271 0.558,1272 1.448,1273 1.153,1274 1.064,1275 1.203,1276 1.376,1277 0.512,1278 1.429,1279 4.394,1281 5.746,1283 7.295,1285 8.925,1287 10.596,1289 1.739,1290 6.19,1291 13.215,1295 3.556,1296 2.441,1297 5.452,1299 0.272,1300 2.195,1305 39.917,1306 110.573,1307 230.082,1308 288.321,1309 312.321,1310 312.321,1311 312.321,1312 79.833,1313 8.595,1314 97.31,1315 105.69,1316 30,1317 12.876,1318 4.7,1319 3.858,1320 54.59,1321 179,1322 204,1323 0.147,1324 248.033,1325 427.78,1326 596.96,1327 75469,1328 3.4,1329 25.286,1330 0.702,1331 0.581,1332 25.166,1333 20.929,1334 17.319,1335 0.433,1336 0.329,1337 11.283,1338 15.541,1339 10.904,1340 8.963,1341 18.035,1342 13.172,1343 16.315,1344 0.281,1345 0.181,1346 17.365,1347 10.516,1348 13.809,1349 0.182,1350 0.103,1351 14.869,1352 7.852,1353 10.939,1354 0.114,1355 0.056,1356 12.078,1357 5.413,1358 9.378,1359 0.072,1360 0.03,1361 10.602,1362 3.939,1363 0.234,1364 120.553,1365 0.194,1366 33.176,1367 0.392,1368 196,1369 669.295,1370 269.752,1371 668.377,1372 890.61,1373 618,1374 232,1375 598.499,1376 309.935,1377 647.026,1378 946.1,1379 605,1380 7.337}
{0 CHEMBL1914742,1 1.82,2 15.108,3 5.086,4 25.868,5 145.084,6 8.589,7 0.561,8 4.257,9 4.364,10 4.057,11 3.842,12 5.347,13 3.81,14 4.816,15 4.98,16 4.404,17 4.233,18 6.076,19 4.196,20 5.086,21 5.281,22 4.508,23 4.42,24 6.231,25 4.347,26 5.172,27 5.383,28 4.448,29 4.427,30 6.27,31 4.314,32 5.184,33 5.436,34 4.414,35 4.322,36 6.309,37 4.227,38 4.966,39 5.2,40 4.346,41 4.222,42 6.235,43 4.144,44 4.817,45 4.984,46 4.305,47 4.221,48 6.009,49 4.141,50 4.871,51 5.063,52 4.24,53 4.182,54 6.041,55 4.101,56 0.127,57 1.059,58 12.972,59 5.843,60 19.366,61 6.757,62 0.527,63 1.708,64 24.612,65 9.517,66 62.96,67 11.598,68 0.663,69 2.137,70 36.524,71 13.332,72 63.244,73 15.857,74 0.658,75 2.117,76 49.09,77 15.903,78 92.111,79 19.155,80 0.981,81 2.01,82 48.023,83 14.874,84 130.025,85 19.356,86 0.848,87 1.755,88 35.832,89 11.72,90 116.403,91 15.248,92 0.434,93 1.56,94 31.068,95 10.886,96 52.032,97 12.771,98 0.547,99 1.617,100 32.109,101 10.677,102 61.796,103 13.063,104 38,105 60,106 0.287,107 0.597,108 0.745,109 0.825,110 0.825,111 0.825,112 3.642,113 1.007,114 -3.84,115 -3.8,116 -3.61,119 41.3,120 2,125 4,127 1,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 2,175 6,178 2,180 1,183 8,186 3,187 10,190 1,192 4,195 7,199 12,204 3,207 2,211 3,212 11,217 2,220 3,223 2,224 7,229 1,232 8,236 1,237 10,240 1,245 7,249 1,250 7,253 1,258 6,262 2,263 3,266 1,271 8,275 2719,276 24.504,277 24.504,278 24.504,279 24.504,280 24.504,281 21.538,282 22.868,283 13.98,284 25.266,285 20.197,286 20.197,287 20.197,288 20.197,289 20.197,290 15.662,291 28.249,292 6.626,293 21.549,294 4.158,295 2.2,296 1.262,297 0.754,298 0.754,299 0.754,300 4.344,302 1,305 1,306 1215,307 3.937,311 588.691,315 175.221,318 2.333,319 49.229,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 80.833,331 559,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.8,339 12.528,340 3.1,341 4.492,342 3.21,343 6.36,344 4.028,345 3.063,346 4.404,347 0.8,348 9.819,349 2.967,350 4.258,351 3.177,352 6.203,353 3.843,354 2.902,355 3.932,357 9.255,358 2.728,359 3.965,360 2.99,361 6.029,362 3.7,363 2.766,364 3.409,366 8.634,367 2.582,368 3.838,369 2.874,370 5.89,371 3.518,372 2.589,373 3.349,375 8.087,376 2.395,377 3.778,378 2.831,379 5.828,380 3.38,381 2.428,382 3.115,384 7.906,385 2.298,386 3.65,387 2.544,388 5.14,389 3.305,390 2.369,391 2.714,393 6.301,394 2.184,395 3.098,396 1.988,397 4.734,398 2.616,399 1.66,400 2.388,402 4.776,403 1.583,404 3.08,405 1.759,406 4.531,407 2.589,408 1.643,409 2.293,411 4.607,412 1.543,413 2.944,414 1.643,415 4.435,416 2.537,417 1.587,418 2.115,420 4.353,421 1.498,422 2.829,423 1.571,424 4.257,425 2.368,426 1.396,427 1.951,428 3.83,429 1.351,430 2.763,431 1.437,432 4.142,433 2.295,434 1.383,435 1.818,436 3.672,437 1.209,438 2.5,439 1.275,440 3.728,441 2.051,442 1.106,443 1.5,445 2.739,446 1.04,447 2.257,448 1.146,449 3.414,450 2,451 1,452 1.207,454 2.275,455 1,456 2.097,457 1,458 3.414,459 1.967,460 1,461 1,463 2.275,464 0.965,465 17.9,466 0.484,467 1.152,468 0.031,469 50.75,470 1.372,471 26,472 0.703,473 24.75,474 0.669,475 33.227,476 0.898,477 39.7,478 0.63,479 42.484,480 1.148,481 9.608,482 0.26,483 8.083,484 0.218,485 0.149,486 0.047,487 0.324,491 1,493 0.561,494 1.327,495 0.68,496 1.165,497 0.599,498 0.933,499 0.695,500 1.065,501 0.725,502 0.879,503 0.503,504 0.842,505 0.956,506 0.947,507 0.906,508 0.93,509 0.804,510 0.942,511 0.96,512 1.066,513 1.041,514 1.145,515 0.952,516 1.12,517 0.737,518 0.769,519 0.668,520 0.755,521 0.795,522 0.795,523 0.641,524 0.729,525 0.707,526 0.666,527 0.432,528 0.704,529 0.997,530 1.036,531 1.289,532 1.121,533 0.834,534 1.081,535 1.003,536 0.976,537 1.113,538 1.042,539 0.942,540 1.066,541 9.5,542 0.322,543 5.778,544 2.313,545 2.404,546 1.694,547 0.953,548 0.712,549 0.529,550 0.361,551 22481,552 65996,553 2.077,554 41.3,556 17,558 2,559 1,561 6,564 1.779,565 1.922,566 3.868,567 -0.311,573 114.636,574 1.82,575 3.778,576 4.715,577 5.223,578 5.223,579 5.223,580 3.375,581 4.777,582 5.178,583 4.023,584 2679.57,585 9.104,586 44210.7,591 376.569,592 1.599,593 5.125,594 0.232,595 0.008,596 0.096,597 0.037,598 0.044,599 0.032,600 0.018,601 0.014,602 0.011,603 0.008,604 0.5,605 0.33,606 0.75,607 0.707,608 205.306,609 0.039,610 -0.227,611 0.134,612 -0.113,613 -0.096,614 -0.008,615 0.116,616 -0.026,617 0.074,618 0.051,619 0.204,620 0.063,621 -0.07,622 0.087,623 -0.016,624 0.039,625 0.008,627 -0.093,628 -0.157,629 -0.043,630 -0.125,631 -0.059,632 -0.118,633 0.124,634 0.023,635 0.244,636 0.155,637 0.071,638 0.208,639 0.226,640 0.207,641 0.223,642 0.259,643 0.329,644 0.276,645 -0.122,646 -0.071,647 -0.161,648 -0.106,649 -0.052,650 -0.115,651 -0.098,652 -0.04,653 -0.116,654 -0.094,655 -0.091,656 -0.111,657 4.903,658 5.787,659 0.757,660 45.931,661 1.014,662 1.13,663 2.613,664 6.827,665 0.695,666 3.738,667 4.111,668 4.369,669 4.595,670 4.89,671 5.011,672 5.136,673 5.257,674 5.472,675 5.602,676 8.536,677 0.663,678 541.1,679 3.738,680 5.313,681 6.172,682 7.062,683 7.937,684 8.829,685 9.709,686 10.602,687 11.485,688 12.379,689 9.5,692 1,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 63,733 25,734 2,735 41,737 67,738 26,739 19,740 5,741 7,746 5,747 6,748 1,752 2,758 1,761 19,762 7,766 2,769 1,771 2,779 1,781 26,782 9,783 1,784 11,785 2,790 6,794 0.8,795 2,802 1,805 1,812 5,816 1,836 1,840 4,842 1,844 2,845 1,846 1,848 37,852 1,854 4,855 1,858 1,859 2,869 2,870 3.2,873 2,877 19.25,878 11.952,879 7.847,880 3.81,881 4.361,882 1.503,883 1.01,884 7.217,885 13.037,886 4.016,887 4.677,888 5.232,889 5.805,890 6.429,891 6.785,892 7.216,893 7.66,894 8.17,895 8.516,896 1,897 63,898 14.03,900 6.416,901 7.902,902 26.015,904 21.911,905 2.402,906 88.861,910 294.278,911 155.273,912 73.01,913 39.149,914 44.313,915 14.96,916 5.807,917 149.466,918 377.739,919 87.97,920 17.65,921 8.423,922 81.617,923 134.617,924 48.431,925 59.508,926 270.735,928 294.278,929 222.476,930 59.273,931 44.956,933 238.611,934 114.94,937 51.581,938 104.134,939 72.569,940 39.149,941 309.238,942 117.323,943 194.422,945 5.807,946 294.278,947 37.91,948 117.804,949 16.405,950 148.778,951 294.278,952 132.283,953 194.422,955 0.6,956 0.345,957 0.169,958 0.098,959 30,960 14,961 0.09,962 6,963 1,964 1.071,965 4.676,966 364.615,967 0.071,968 28,969 180.75,973 1,974 25.654,975 10.409,976 5.643,977 1.483,978 132.283,979 15.172,980 13.619,984 1.772,986 16.405,987 620.983,988 54.5,991 -3.986,993 25.574,999 63.898,1000 71.18,1001 0.304,1002 0.632,1003 0.789,1004 0.874,1005 0.874,1006 0.874,1007 5.282,1008 1.66,1009 6.201,1010 6.301,1011 4.796,1012 5.366,1013 1.072,1014 7.05,1015 4.672,1016 6.527,1017 1.643,1018 7.796,1019 4.776,1020 4.575,1021 5.421,1022 0.57,1023 8.176,1024 4.349,1025 7.876,1026 1.587,1027 9.496,1028 4.607,1029 6.475,1030 7.68,1031 0.653,1032 11.199,1033 6.224,1034 9.263,1035 1.396,1036 11.26,1037 4.353,1038 7.031,1039 8.53,1040 0.479,1041 13.142,1042 6.669,1043 10.683,1044 1.383,1045 13.065,1046 3.83,1047 8.459,1048 10.33,1049 0.432,1050 15.759,1051 8.067,1052 12.127,1053 1.106,1054 14.899,1055 3.672,1056 9.352,1057 11.535,1058 0.346,1059 18.032,1060 8.854,1061 13.591,1062 1,1063 16.756,1064 2.739,1065 10.609,1066 13.163,1067 0.291,1068 20.546,1069 10.065,1070 3.4,1071 1,1072 18.632,1073 2.275,1074 11.656,1075 14.535,1076 0.237,1077 22.959,1078 11.013,1079 3.063,1080 12.528,1081 20.522,1082 2.275,1083 12.853,1084 16.095,1085 0.195,1086 25.457,1087 12.15,1088 2.902,1089 9.819,1090 22.426,1091 4.709,1092 13.973,1093 17.547,1094 0.158,1095 27.93,1096 13.176,1097 2.766,1098 9.255,1099 24.34,1100 4.404,1101 15.156,1102 19.082,1103 0.129,1104 30.434,1105 14.285,1106 2.589,1107 8.634,1108 26.265,1109 3.932,1110 16.312,1111 20.573,1112 0.104,1113 32.934,1114 15.35,1115 2.428,1116 8.087,1117 28.197,1118 3.409,1119 17.496,1120 22.101,1121 0.084,1122 35.447,1123 16.452,1124 2.369,1125 7.906,1126 30.138,1127 3.349,1128 18.673,1129 23.611,1130 0.068,1131 37.96,1132 17.537,1133 21158,1134 36780,1135 27.046,1136 43.762,1137 62.628,1138 64.453,1139 64.329,1140 62.55,1141 62.434,1142 82.335,1143 3.2,1144 186.637,1145 58.545,1146 5.86,1147 6.686,1148 6.726,1149 5.39,1150 5.4,1151 7.709,1152 1.2,1153 19.92,1154 5.1,1155 20.782,1156 1.528,1157 1.572,1158 1.569,1159 1.526,1160 1.523,1161 2.008,1162 0.078,1163 4.552,1164 1.428,1165 4.123,1166 4.142,1167 4.738,1168 4.08,1169 8.201,1170 4.032,1171 4.041,1172 4.038,1173 4.069,1174 3.977,1175 7.717,1176 3.947,1177 3.867,1178 3.926,1179 3.927,1180 3.729,1181 6.999,1182 3.741,1183 3.796,1184 3.84,1185 3.731,1186 3.648,1187 5.091,1188 3.654,1189 3.605,1190 3.617,1191 3.718,1192 3.51,1193 5,1194 3.448,1195 3.519,1196 3.56,1197 3.468,1198 3.367,1199 4.584,1200 3.357,1201 3.315,1202 3.368,1203 3.298,1204 3.177,1205 4.472,1206 3.172,1207 3.111,1208 3.206,1209 3.101,1210 2.941,1211 4.374,1212 2.91,1213 0.119,1214 0.114,1215 0.178,1216 0.105,1217 0.083,1218 4.86,1219 0.115,1220 4.686,1221 0.02,1222 7.311,1223 0.306,1224 4.319,1225 0.076,1226 3.4,1227 4.709,1228 0.8,1229 12.528,1230 3.1,1231 2.033,1232 2.011,1233 2.093,1234 2.143,1235 1.328,1236 2.132,1237 1.951,1238 1.956,1239 2.01,1240 2.039,1241 1.203,1242 2.064,1243 1.818,1244 1.765,1245 1.964,1246 2.002,1247 1.146,1248 2.011,1249 1.749,1250 1.702,1251 1.839,1252 1.89,1253 1.03,1254 1.882,1255 1.53,1256 1.473,1257 1.784,1258 1.727,1259 0.901,1260 1.757,1261 1.409,1262 1.424,1263 1.513,1264 1.576,1265 0.825,1266 1.603,1267 1.277,1268 1.233,1269 1.455,1270 1.444,1271 0.567,1272 1.454,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.483,1278 1.429,1279 4.419,1281 5.778,1283 7.328,1285 8.959,1287 10.63,1289 4.412,1290 6.205,1291 13.232,1295 3.725,1296 2.45,1299 0.519,1300 4.683,1305 41.751,1306 114.636,1307 237.991,1308 297.059,1309 329.059,1310 329.059,1311 329.059,1312 81.256,1313 8.676,1314 91.32,1315 99.7,1316 30,1317 12.907,1318 4.7,1319 3.858,1320 56.915,1321 189,1322 196,1323 0.145,1324 260.423,1325 447.29,1326 627.193,1327 83422,1328 3.2,1329 26.156,1330 0.707,1331 0.594,1332 26.036,1333 21.968,1334 17.692,1335 0.432,1336 0.336,1337 11.882,1338 15.961,1339 11.424,1340 9.43,1341 18.407,1342 13.757,1343 17.045,1344 0.284,1345 0.187,1346 18.095,1347 11.211,1348 14.099,1349 0.181,1350 0.104,1351 15.16,1352 8.121,1353 11.154,1354 0.114,1355 0.057,1356 12.293,1357 5.56,1358 9.471,1359 0.072,1360 0.03,1361 10.696,1362 3.939,1363 0.231,1364 122.249,1365 0.192,1366 33.958,1367 0.384,1368 202,1369 651.204,1370 275.289,1371 658.175,1372 882.73,1373 608,1374 239,1375 602.328,1376 316.831,1377 650.777,1378 952.83,1379 610,1380 7.77}
{0 CHEMBL1914743,1 1.933,2 13.647,3 4.09,4 16.73,5 128.942,6 9.434,7 0.605,8 4.114,9 4.199,10 3.996,11 3.713,12 5.264,13 3.701,14 4.655,15 4.782,16 4.331,17 4.093,18 6.016,19 4.079,20 4.893,21 5.06,22 4.423,23 4.247,24 6.138,25 4.195,26 4.907,27 5.087,28 4.359,29 4.206,30 6.133,31 4.13,32 4.872,33 5.071,34 4.352,35 4.109,36 6.18,37 4.069,38 4.709,39 4.877,40 4.284,41 4.076,42 6.148,43 4.027,44 4.69,45 4.85,46 4.207,47 4.088,48 5.914,49 4.011,50 4.679,51 4.851,52 4.127,53 4,54 5.897,55 3.931,56 0.179,57 0.892,58 8.766,59 4.867,60 22.035,61 4.786,62 0.626,63 1.425,64 17.004,65 7.966,66 62.354,67 8.037,68 0.791,69 1.769,70 26.834,71 11.079,72 64.028,73 11.394,74 0.756,75 1.692,76 36.276,77 11.906,78 84.991,79 12.327,80 0.964,81 1.562,82 30.54,83 10.332,84 118.023,85 11.409,86 0.796,87 1.432,88 21.261,89 8.874,90 100.67,91 9.897,92 0.562,93 1.334,94 26.35,95 9.732,96 53.173,97 10.437,98 0.614,99 1.299,100 25.549,101 9.299,102 61.161,103 10.252,104 17,105 55,106 0.315,107 0.632,108 0.767,109 0.841,110 0.841,111 0.841,112 3.561,113 0.97,114 -3.23,115 -3.22,116 -3.09,119 43.4,125 4,142 8,143 2,144 3,145 2,146 2,147 2,172 7,174 2,175 4,178 2,180 1,183 7,186 3,187 10,190 1,192 4,195 7,199 12,204 3,207 2,211 3,212 9,217 2,220 3,223 2,224 7,229 1,232 8,236 1,237 8,240 1,245 7,249 1,250 5,253 1,258 6,262 2,263 3,266 1,271 6,275 2108,276 22.85,277 22.85,278 22.85,279 22.85,280 22.85,281 19.883,282 18.054,283 13.258,284 23.641,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 14.228,291 18.539,292 6.33,293 20.142,294 3.795,295 1.849,296 1.019,297 0.566,298 0.566,299 0.566,300 4.267,302 1,305 1,306 1022,307 3.464,311 525.337,315 154.9,318 2.08,319 50.22,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 75.333,331 464,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,338 0.86,339 12.528,340 3.1,341 4.492,342 3.196,343 6.359,344 4.026,345 3.06,346 4.404,347 0.8,348 9.815,349 2.966,350 4.257,351 3.153,352 6.197,353 3.825,354 2.884,355 3.932,357 9.239,358 2.715,359 3.948,360 2.896,361 6.008,362 3.608,363 2.679,364 3.409,366 8.574,367 2.48,368 3.833,369 2.873,370 5.84,371 3.397,372 2.446,373 3.348,375 7.954,376 2.309,377 3.747,378 2.57,379 5.14,380 3.309,381 2.373,382 3.109,384 6.301,385 2.188,386 3.102,387 2.275,388 4.734,389 2.74,390 1.823,391 2.39,393 4.776,394 1.667,395 3.082,396 1.987,397 4.542,398 2.59,399 1.644,400 2.293,402 4.684,403 1.543,404 3.02,405 1.651,406 4.449,407 2.544,408 1.595,409 2.156,411 4.424,412 1.505,413 2.857,414 1.614,415 4.263,416 2.384,417 1.423,418 1.973,420 3.869,421 1.36,422 2.824,423 1.536,424 4.142,425 2.295,426 1.383,427 1.942,428 3.676,429 1.21,430 2.5,431 1.379,432 3.511,433 2.032,434 1.147,435 1.5,436 2.698,437 1.006,438 2.33,439 1.256,440 3.414,441 2,442 1,443 1.301,445 2.275,446 1,447 2.12,448 1,449 3.28,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.765,458 3.247,459 1.643,460 0.703,461 0.995,463 1.714,464 0.656,465 16.333,466 0.48,467 0.957,468 0.028,469 49,470 1.441,471 26,472 0.765,473 23,474 0.676,475 26.407,476 0.777,477 35.867,478 0.677,479 40.285,480 1.185,481 9.535,482 0.28,483 6.852,484 0.202,485 0.102,486 0.051,487 0.3,491 1,493 0.6,494 1.234,495 0.645,496 1.137,497 0.607,498 0.864,499 0.832,500 1.024,501 0.763,502 0.88,503 0.579,504 0.853,505 0.985,506 0.974,507 0.928,508 0.938,509 0.876,510 0.946,511 1.031,512 1.067,513 1.137,514 1.144,515 1.086,516 1.106,517 0.829,518 0.777,519 0.735,520 0.755,521 0.956,522 0.797,523 0.656,524 0.864,525 0.822,526 0.84,527 0.493,528 0.901,529 0.924,530 0.926,531 1.329,532 1.112,533 0.808,534 1.102,535 0.939,536 0.931,537 1.128,538 1.074,539 0.934,540 1.089,541 8,542 0.252,543 4.889,544 2,545 2.133,546 1.458,547 0.791,548 0.634,549 0.418,550 0.268,551 17818,552 59711,553 2.12,554 35.8,556 16,558 2,559 1,564 1.76,565 1.99,566 3.736,567 -0.275,573 102.463,574 1.933,575 3.879,576 4.709,577 5.162,578 5.162,579 5.162,580 3.231,581 4.418,582 5.058,583 3.87,584 2170.88,585 8.868,586 33167.8,591 303.58,592 1.501,593 5.017,594 0.211,595 0.008,596 0.089,597 0.035,598 0.043,599 0.029,600 0.016,601 0.014,602 0.01,603 0.007,604 0.462,605 0.33,606 0.75,607 0.513,608 182.706,609 0.012,610 -0.198,611 0.125,612 -0.125,613 -0.1,614 -0.005,615 0.027,616 -0.03,617 -0.001,618 0.033,619 0.146,620 0.005,621 -0.089,622 0.034,623 -0.031,624 0.041,625 -0.03,626 -0.007,627 -0.163,628 -0.133,629 -0.091,630 -0.114,631 -0.123,632 -0.116,633 0.059,634 0.056,635 0.183,636 0.149,637 0.007,638 0.181,639 0.198,640 0.113,641 0.07,642 0.083,643 0.311,644 0.041,645 -0.117,646 -0.027,647 -0.184,648 -0.104,649 -0.055,650 -0.116,651 -0.07,652 -0.062,653 -0.088,654 -0.103,655 -0.076,656 -0.092,657 4.9,658 5.724,659 0.824,660 37.176,661 1.028,662 1.125,663 2.004,664 4.018,665 0.716,666 3.664,667 4.025,668 4.29,669 4.533,670 4.828,671 4.913,672 5.037,673 5.182,674 5.375,675 5.468,676 7.757,677 0.696,678 499.99,679 3.664,680 5.231,681 6.089,682 6.978,683 7.853,684 8.744,685 9.625,686 10.518,687 11.401,688 12.296,689 9.4,694 1,695 1,699 3,703 2,704 10,705 3,709 7,711 23,726 1,730 2,731 53,733 25,734 2,735 38,737 57,738 23,739 19,740 5,741 7,746 5,747 6,748 1,761 19,762 4,766 2,769 1,771 2,779 1,781 19,782 9,783 1,784 11,785 2,790 5,794 0.8,795 3,802 1,805 1,812 5,816 1,839 1,840 4,842 1,845 1,846 1,848 34,852 1,854 4,855 1,856 1,859 1,869 2,870 5.7,873 2,874 1,877 17.083,878 9.586,879 7.236,880 3.044,881 4.364,882 1.519,883 1.031,884 6.259,885 12.776,886 3.961,887 4.63,888 5.2,889 5.787,890 6.416,891 6.766,892 7.197,893 7.641,894 8.144,895 8.475,896 1,897 57,898 12.897,900 5.974,901 8.001,902 23.562,904 19.792,905 2.501,906 85.028,910 211.88,911 142.596,912 69.886,913 39.149,914 55.313,915 14.96,916 5.807,917 136.789,918 306.341,919 84.846,921 13.396,922 81.617,923 145.617,924 45.307,925 59.508,926 188.338,928 211.88,929 206.675,930 70.273,931 44.956,933 226.84,934 44.313,935 11,937 35.779,938 104.134,939 72.569,940 39.149,941 226.84,942 125.199,943 181.745,945 5.807,946 211.88,947 42.884,948 97.029,949 16.405,950 159.778,951 211.88,952 140.159,953 181.745,955 0.594,956 0.343,957 0.175,958 0.103,959 28,960 12,961 0.088,962 5,963 1,964 1.071,965 4.474,966 327.65,967 0.071,968 28,969 162.974,973 1,974 22.788,975 9.338,976 4.951,977 1.435,978 140.159,979 14.975,980 13.4,984 1.661,986 16.405,987 533.783,988 51.5,991 -3.983,993 25.447,999 54.473,1000 59.645,1001 0.338,1002 0.677,1003 0.822,1004 0.901,1005 0.901,1006 0.901,1007 5.214,1008 1.644,1009 6.107,1010 4.776,1011 4.71,1012 5.318,1013 1.235,1014 6.954,1015 4.578,1016 6.459,1017 1.595,1018 7.696,1019 4.684,1020 4.443,1021 5.366,1022 0.325,1023 8.084,1024 4.214,1025 7.81,1026 1.423,1027 9.393,1028 4.424,1029 6.382,1030 7.653,1031 0.938,1032 11.121,1033 6.126,1034 9.201,1035 1.383,1036 11.158,1037 3.869,1038 6.919,1039 8.506,1040 0.268,1041 13.084,1042 6.556,1043 10.626,1044 1.147,1045 12.967,1046 3.676,1047 8.369,1048 10.317,1049 0.732,1050 15.71,1051 7.976,1052 12.077,1053 1,1054 14.809,1055 2.698,1056 9.261,1057 11.525,1058 0.188,1059 17.999,1060 8.763,1061 13.547,1062 1,1063 16.673,1064 2.275,1065 10.53,1066 13.157,1067 0.57,1068 20.52,1069 9.987,1070 3.4,1071 0.703,1072 18.557,1073 2.136,1074 11.583,1075 14.531,1076 0.125,1077 22.941,1078 10.941,1079 3.06,1080 12.528,1081 20.456,1082 1.714,1083 12.79,1084 16.093,1085 0.438,1086 25.444,1087 12.086,1088 2.884,1089 9.815,1090 22.367,1091 4.709,1092 13.916,1093 17.545,1094 0.082,1095 27.921,1096 13.119,1097 2.679,1098 9.239,1099 24.289,1100 4.404,1101 15.106,1102 19.081,1103 0.334,1104 30.428,1105 14.235,1106 2.446,1107 8.574,1108 26.221,1109 3.932,1110 16.269,1111 20.572,1112 0.054,1113 32.93,1114 15.305,1115 2.373,1116 7.954,1117 28.16,1118 3.409,1119 17.458,1120 22.1,1121 0.252,1122 35.444,1123 16.413,1124 1.823,1125 6.301,1126 30.106,1127 3.348,1128 18.64,1129 23.611,1130 0.035,1131 37.958,1132 17.502,1133 16562,1134 30583,1135 25.542,1136 37.926,1137 57.583,1138 59.726,1139 58.675,1140 57.656,1141 57.552,1142 77.456,1143 3.32,1144 170.394,1145 53.629,1146 5.86,1147 6.686,1148 7.113,1149 5.423,1150 5.4,1151 7.709,1152 1.72,1153 19.92,1154 5.1,1155 15.563,1156 1.515,1157 1.572,1158 1.544,1159 1.517,1160 1.515,1161 2.038,1162 0.087,1163 4.484,1164 1.411,1165 4.121,1166 4.137,1167 4.738,1168 4.079,1169 8.201,1170 4.03,1171 4.04,1172 4.037,1173 4.068,1174 3.976,1175 7.717,1176 3.947,1177 3.84,1178 3.879,1179 3.926,1180 3.722,1181 6.999,1182 3.734,1183 3.735,1184 3.782,1185 3.719,1186 3.553,1187 5.091,1188 3.561,1189 3.596,1190 3.578,1191 3.653,1192 3.498,1193 5.001,1194 3.436,1195 3.347,1196 3.385,1197 3.407,1198 3.204,1199 4.62,1200 3.211,1201 3.111,1202 3.206,1203 3.142,1204 2.941,1205 4.583,1206 2.91,1207 2.979,1208 3.03,1209 2.866,1210 2.86,1211 4.437,1212 2.856,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1221 0.023,1222 7.311,1223 0.33,1224 4.319,1225 0.082,1226 3.4,1227 4.709,1228 0.86,1229 12.528,1230 3.1,1231 2.032,1232 2.011,1233 2.09,1234 2.139,1235 1.23,1236 2.129,1237 1.951,1238 1.956,1239 1.964,1240 2.033,1241 1.18,1242 2.06,1243 1.786,1244 1.751,1245 1.919,1246 1.949,1247 1.141,1248 1.945,1249 1.674,1250 1.624,1251 1.804,1252 1.864,1253 0.902,1254 1.857,1255 1.415,1256 1.442,1257 1.513,1258 1.581,1259 0.825,1260 1.606,1261 1.285,1262 1.253,1263 1.454,1264 1.456,1265 0.56,1266 1.459,1267 1.153,1268 1.064,1269 1.191,1270 1.376,1271 0.47,1272 1.429,1273 0.941,1274 0.897,1275 1.181,1276 1.122,1277 0.218,1278 1.129,1279 4.344,1281 5.694,1283 7.242,1285 8.873,1287 10.545,1290 6.168,1291 13.184,1295 2.788,1296 2.431,1297 5.401,1300 2.12,1305 36.864,1306 102.463,1307 205.606,1308 249.58,1309 273.58,1310 273.58,1311 273.58,1312 71.281,1313 8.412,1314 97.31,1315 105.69,1316 30,1317 12.824,1318 4.7,1319 3.858,1320 50.066,1321 158,1322 164,1323 0.152,1324 228.848,1325 393.18,1326 550.15,1327 60019,1328 3.8,1329 23.709,1330 0.697,1331 0.569,1332 23.588,1333 19.352,1334 16.387,1335 0.431,1336 0.323,1337 10.404,1338 14.621,1339 10.092,1340 8.25,1341 17.103,1342 12.289,1343 15.525,1344 0.282,1345 0.176,1346 16.574,1347 9.693,1348 12.99,1349 0.18,1350 0.098,1351 14.05,1352 7.088,1353 10.477,1354 0.114,1355 0.053,1356 11.615,1357 4.885,1358 9.043,1359 0.073,1360 0.028,1361 10.268,1362 3.527,1363 0.241,1364 114.847,1365 0.198,1366 31.551,1367 0.41,1368 186,1369 659.295,1370 259.752,1371 657.295,1372 875.23,1373 608,1374 220,1375 586.499,1376 298.046,1377 632.546,1378 927.72,1379 593,1380 7.699}
{0 CHEMBL1914947,1 1.895,2 13.647,3 4.498,4 20.228,5 127.733,6 10.04,7 0.763,8 4.036,9 4.113,10 3.974,11 3.712,12 5.269,13 3.695,14 4.517,15 4.616,16 4.306,17 4.08,18 5.979,19 4.062,20 4.755,21 4.896,22 4.402,23 4.211,24 6.094,25 4.166,26 4.785,27 4.941,28 4.341,29 4.153,30 6.101,31 4.09,32 4.741,33 4.911,34 4.333,35 4.068,36 6.133,37 4.038,38 4.609,39 4.765,40 4.264,41 4.044,42 6.116,43 4.001,44 4.593,45 4.74,46 4.187,47 4.052,48 5.884,49 3.981,50 4.558,51 4.712,52 4.103,53 3.956,54 5.859,55 3.897,56 0.152,57 0.795,58 6.279,59 4.107,60 19.835,61 3.666,62 0.437,63 1.253,64 9.927,65 6.39,66 52.89,67 5.977,68 0.553,69 1.596,70 18.241,71 9.332,72 59.662,73 8.772,74 0.664,75 1.549,76 29.472,77 10.427,78 81.209,79 9.339,80 0.811,81 1.435,82 22.791,83 9.163,84 111.838,85 8.9,86 0.69,87 1.35,88 16.467,89 7.812,90 97.155,91 8.1,92 0.507,93 1.233,94 22.252,95 8.483,96 55.898,97 8.412,98 0.51,99 1.185,100 20.247,101 7.962,102 63.204,103 8.063,104 17,105 55,106 0.31,107 0.546,108 0.74,109 0.858,110 0.858,111 0.858,112 3.561,113 0.937,114 -3.17,115 -3.17,116 -3.04,119 49,142 10,143 3,144 3,145 4,146 3,147 1,172 9,174 1,175 7,178 2,180 1,183 8,186 1,187 14,190 1,192 4,195 7,199 13,204 3,207 3,211 3,212 7,217 2,220 7,223 2,224 5,229 1,232 14,236 1,237 7,240 1,245 12,250 6,253 1,258 8,262 2,263 5,268 1,271 6,275 2108,276 22.85,277 22.85,278 22.85,279 22.85,280 22.85,281 19.17,282 7.599,283 13.258,284 23.443,285 18.763,286 18.763,287 18.763,288 18.763,289 18.763,290 13.259,291 3.678,292 6.33,293 19.828,294 3.719,295 2.271,296 1.086,297 0.367,298 0.367,299 0.367,300 4.267,302 1,305 1,306 1022,307 3.464,311 525.337,315 154.9,318 2.08,319 47.97,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 74.333,331 464,332 4.86,333 4.686,334 7.311,335 4.319,336 3.4,337 4.709,339 12.528,340 3.1,341 4.502,342 3.188,343 6.359,344 4.034,345 3.06,346 4.417,348 9.815,349 2.98,350 4.273,351 3.026,352 6.197,353 3.847,354 2.884,355 3.944,357 9.239,358 2.793,359 4.078,360 2.874,361 6.008,362 3.639,363 2.679,364 3.682,366 8.574,367 2.566,368 3.845,369 2.767,370 5.84,371 3.402,372 2.446,373 3.396,375 7.954,376 2.315,377 3.784,378 2.518,379 5.14,380 3.311,381 2.373,382 3.247,384 6.301,385 2.191,386 3.307,387 1.988,388 4.734,389 2.777,390 1.823,391 2.69,393 4.776,394 1.737,395 3.095,396 1.826,397 4.542,398 2.59,399 1.644,400 2.384,402 4.684,403 1.543,404 3.078,405 1.644,406 4.449,407 2.545,408 1.595,409 2.292,411 4.424,412 1.508,413 2.902,414 1.575,415 4.263,416 2.391,417 1.423,418 2.09,420 3.869,421 1.369,422 2.827,423 1.441,424 4.142,425 2.296,426 1.383,427 1.95,428 3.676,429 1.212,430 2.639,431 1.153,432 3.511,433 2.095,434 1.147,435 1.707,436 2.698,437 1.082,438 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 3.28,450 1.984,451 1,452 1.5,454 2.136,455 0.983,456 2.192,457 0.746,458 3.247,459 1.65,460 0.703,461 1.042,463 1.714,464 0.662,465 16.5,466 0.485,467 0.957,468 0.028,469 53.75,470 1.581,471 31.5,472 0.926,473 22.25,474 0.654,475 23.214,476 0.683,477 33.9,478 0.692,479 43.478,480 1.279,481 10.508,482 0.309,483 5.879,484 0.173,485 0.101,486 0.051,487 0.303,491 1,493 0.527,494 1.075,495 0.633,496 1.038,497 0.619,498 0.774,499 0.635,500 1.047,501 0.746,502 0.936,503 0.585,504 0.887,505 0.977,506 1.042,507 0.961,508 1.039,509 0.935,510 1.011,511 1.204,512 1.034,513 1.245,514 1.174,515 1.182,516 1.128,517 0.899,518 0.769,519 0.775,520 0.797,521 1.027,522 0.837,523 0.626,524 0.797,525 0.832,526 0.817,527 0.496,528 0.878,529 1.005,530 0.853,531 1.429,532 1.08,533 0.857,534 1.08,535 1.006,536 0.944,537 1.216,538 1.095,539 1.009,540 1.109,541 8,542 0.252,543 4.889,544 2,545 2.133,546 1.458,547 0.791,548 0.634,549 0.418,550 0.268,551 17818,552 62032,553 2.12,554 30.6,556 10,558 4,559 1,564 1.76,565 1.99,566 3.736,567 -0.304,569 1,573 92.869,574 1.895,575 3.344,576 4.529,577 5.247,578 5.247,579 5.247,580 3.231,581 4.418,582 5.058,583 3.87,584 2170.88,585 8.868,586 33167.8,591 275.121,592 1.501,593 5.017,594 0.211,595 0.008,596 0.089,597 0.035,598 0.043,599 0.029,600 0.016,601 0.014,602 0.01,603 0.007,604 0.462,605 0.33,606 0.75,607 0.513,608 182.706,609 0.033,610 -0.127,611 0.116,612 -0.101,613 -0.124,614 0.012,615 0.118,616 -0.089,617 -0.031,618 -0.069,619 0.145,620 -0.095,621 -0.094,622 -0.049,623 -0.064,624 -0.062,625 -0.057,626 -0.091,627 -0.222,628 -0.111,629 -0.152,630 -0.123,631 -0.17,632 -0.142,633 0.061,634 0.056,635 0.165,636 0.136,637 -0.016,638 0.154,639 0.251,640 0.157,641 0.086,642 0.106,643 0.326,644 0.071,645 -0.144,646 0.013,647 -0.227,648 -0.079,649 -0.083,650 -0.094,651 -0.099,652 -0.093,653 -0.13,654 -0.121,655 -0.115,656 -0.108,657 4.908,658 5.717,659 0.824,660 37.176,661 1.028,662 1.114,663 1.943,664 3.775,665 0.754,666 3.664,667 4.025,668 4.29,669 4.533,670 4.828,671 4.913,672 5.037,673 5.182,674 5.375,675 5.468,676 7.757,677 0.737,678 491.96,679 3.664,680 5.231,681 6.089,682 6.978,683 7.853,684 8.744,685 9.625,686 10.518,687 11.401,688 12.296,689 10.2,694 1,699 4,703 2,704 14,705 4,709 8,711 29,730 2,731 49,733 31,734 2,735 38,737 53,738 24,739 24,740 5,741 7,746 5,747 6,748 1,761 24,766 2,769 1,771 2,779 1,781 15,782 8,783 1,784 10,785 2,790 5,794 0.8,795 2,802 1,805 2,812 5,816 1,840 4,842 1,845 1,846 1,848 34,852 1,855 1,869 2,870 4.1,873 2,877 17.083,878 9.002,879 7.236,880 2.712,881 5.266,882 1.626,883 1.05,884 5.765,885 13.678,886 4.016,887 4.71,888 5.303,889 5.905,890 6.544,891 6.885,892 7.361,893 7.837,894 8.366,895 8.758,896 1,897 57,898 12.844,900 5.954,901 8.035,902 23.234,904 19.395,905 2.535,906 86.194,910 164.795,911 169.862,912 83.547,913 39.149,914 44.313,915 14.96,916 5.807,917 164.054,918 248.257,919 98.507,922 100.57,923 174.944,924 66.22,925 57.181,926 117.711,928 164.795,929 247.601,930 59.273,931 44.956,933 179.756,934 44.313,937 43.235,938 120.819,939 89.355,940 39.149,941 179.756,942 127.86,943 209.01,945 5.807,946 164.795,947 33.102,948 130.952,949 16.405,950 165.564,951 164.795,952 142.82,953 209.01,955 0.594,956 0.343,957 0.175,958 0.103,959 28,960 12,961 0.094,962 5,963 1,964 1.071,965 4.474,966 327.65,967 0.071,968 28,969 162.974,973 1,974 22.059,975 8.886,976 4.668,977 1.371,978 142.82,979 21.883,980 17.321,984 2.413,986 16.405,987 516.626,988 54.5,991 -3.991,993 25.434,999 50.378,1000 54.605,1001 0.338,1002 0.596,1003 0.807,1004 0.935,1005 0.935,1006 0.935,1007 5.254,1008 1.644,1009 6.107,1010 4.776,1011 4.71,1012 5.398,1014 6.954,1015 4.605,1016 6.513,1017 1.595,1018 7.696,1019 4.684,1020 4.443,1021 5.4,1023 8.084,1024 4.245,1025 7.864,1026 1.423,1027 9.393,1028 4.424,1029 6.382,1030 7.746,1032 11.121,1033 6.174,1034 9.255,1035 1.383,1036 11.158,1037 3.869,1038 6.919,1039 8.551,1041 13.084,1042 6.607,1043 10.679,1044 1.147,1045 12.967,1046 3.676,1047 8.369,1048 10.399,1050 15.71,1051 8.038,1052 12.128,1053 1,1054 14.809,1055 2.698,1056 9.261,1057 11.573,1059 17.999,1060 8.827,1061 13.596,1062 1,1063 16.673,1064 2.275,1065 10.53,1066 13.222,1068 20.52,1069 10.059,1070 3.4,1071 0.703,1072 18.557,1073 2.136,1074 11.583,1075 14.575,1077 22.941,1078 11.013,1079 3.06,1080 12.528,1081 20.456,1082 1.714,1083 12.79,1084 16.143,1086 25.444,1087 12.162,1088 2.884,1089 9.815,1090 22.367,1091 4.709,1092 13.916,1093 17.583,1095 27.921,1096 13.195,1097 2.679,1098 9.239,1099 24.289,1100 4.417,1101 15.106,1102 19.12,1104 30.428,1105 14.313,1106 2.446,1107 8.574,1108 26.221,1109 3.944,1110 16.269,1111 20.604,1113 32.93,1114 15.382,1115 2.373,1116 7.954,1117 28.16,1118 3.682,1119 17.458,1120 22.131,1122 35.444,1123 16.49,1124 1.823,1125 6.301,1126 30.106,1127 3.396,1128 18.64,1129 23.637,1131 37.958,1132 17.578,1133 16562,1134 31143,1135 25.542,1136 36.949,1137 57.873,1138 59.514,1139 58.675,1140 57.666,1141 57.552,1142 81.632,1144 170.394,1145 54.409,1146 5.694,1147 6.686,1148 7.113,1149 5.389,1150 5.4,1151 7.709,1153 19.92,1154 5.1,1155 15.563,1156 1.523,1157 1.566,1158 1.544,1159 1.518,1160 1.515,1161 2.148,1163 4.484,1164 1.432,1165 4.124,1166 4.14,1167 4.738,1168 4.081,1169 8.201,1170 4.039,1171 4.045,1172 4.04,1173 4.075,1174 3.989,1175 7.717,1176 3.953,1177 3.871,1178 3.904,1179 3.936,1180 3.787,1181 6.999,1182 3.792,1183 3.774,1184 3.812,1185 3.763,1186 3.672,1187 5.104,1188 3.678,1189 3.596,1190 3.578,1191 3.719,1192 3.505,1193 5.01,1194 3.439,1195 3.339,1196 3.381,1197 3.417,1198 3.211,1199 4.859,1200 3.218,1201 2.973,1202 3.026,1203 3.141,1204 2.863,1205 4.584,1206 2.859,1207 2.854,1208 2.925,1209 2.846,1210 2.735,1211 4.436,1212 2.722,1213 0.128,1214 0.123,1215 0.192,1216 0.114,1217 0.089,1218 4.86,1219 0.124,1220 4.686,1222 7.311,1223 0.33,1224 4.319,1225 0.082,1226 3.4,1227 4.709,1229 12.528,1230 3.1,1231 2.042,1232 2.019,1233 2.098,1234 2.14,1235 1.212,1236 2.132,1237 1.954,1238 1.96,1239 1.965,1240 2.033,1241 1.149,1242 2.062,1243 1.846,1244 1.816,1245 1.938,1246 1.95,1247 1.006,1248 1.951,1249 1.73,1250 1.699,1251 1.798,1252 1.861,1253 0.879,1254 1.854,1255 1.414,1256 1.442,1257 1.437,1258 1.578,1259 0.543,1260 1.604,1261 1.282,1262 1.247,1263 1.19,1264 1.44,1265 0.421,1266 1.444,1267 0.941,1268 0.897,1269 1.181,1270 1.113,1271 0.218,1272 1.125,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.344,1281 5.694,1283 7.242,1285 8.873,1287 10.545,1290 6.161,1291 13.18,1296 2.422,1305 36.095,1306 92.869,1307 163.844,1308 221.902,1309 257.121,1310 257.121,1311 257.121,1312 69.884,1313 8.412,1314 97.73,1315 106.11,1316 30,1317 12.824,1318 5,1319 4.129,1320 50.066,1321 158,1322 164,1323 0.152,1324 225.662,1325 382.87,1326 542.375,1327 60019,1328 4.1,1329 23.709,1330 0.697,1331 0.557,1332 23.588,1333 18.925,1334 16.387,1335 0.431,1336 0.312,1337 10.032,1338 14.787,1339 9.697,1340 7.996,1341 17.103,1342 11.866,1343 15.525,1344 0.282,1345 0.17,1346 16.574,1347 9.357,1348 12.99,1349 0.18,1350 0.094,1351 14.05,1352 6.742,1353 10.477,1354 0.114,1355 0.05,1356 11.615,1357 4.612,1358 9.043,1359 0.073,1360 0.027,1361 10.268,1362 3.335,1363 0.241,1364 113.772,1365 0.198,1366 31.551,1367 0.41,1368 186,1369 647.559,1370 255.792,1371 659.233,1372 881.94,1373 608,1374 220,1375 598.159,1376 293.751,1377 649.693,1378 947.41,1379 609,1380 7.62}
{0 CHEMBL1917776,1 1.842,2 14.737,3 5.292,4 28.002,5 136.458,6 9.438,7 0.548,8 4.178,9 4.279,10 3.929,11 3.763,12 5.432,13 3.778,14 4.698,15 4.825,16 4.383,17 4.148,18 6.324,19 4.156,20 4.946,21 5.109,22 4.447,23 4.292,24 6.247,25 4.28,26 5.03,27 5.215,28 4.507,29 4.243,30 6.462,31 4.24,32 4.945,33 5.137,34 4.349,35 4.183,36 6.292,37 4.19,38 4.944,39 5.117,40 4.36,41 4.181,42 6.527,43 4.171,44 4.877,45 5.085,46 4.17,47 4.136,48 6.112,49 4.094,50 4.782,51 4.961,52 4.142,53 4.057,54 6.106,55 4.026,56 0.236,57 1.057,58 6.37,59 4.74,60 32.832,61 4.811,62 0.968,63 2.048,64 13.919,65 8.097,66 147.196,67 8.388,68 0.788,69 1.988,70 22.39,71 10.454,72 88.977,73 11.106,74 1.266,75 2.05,76 33.837,77 11.916,78 150.142,79 12.629,80 0.94,81 1.958,82 26.156,83 10.639,84 125.317,85 11.703,86 1.408,87 1.901,88 25.13,89 9.963,90 205.219,91 10.325,92 0.874,93 1.714,94 26.68,95 10.464,96 107.866,97 12.375,98 0.731,99 1.617,100 20.402,101 9.476,102 88.053,103 10.251,104 38,105 61,106 0.295,107 0.615,108 0.75,109 0.865,110 0.888,111 0.888,112 3.668,113 0.843,114 -5.32,115 -5.2,116 -4.87,119 47.4,121 1,125 1,132 1,142 12,143 4,144 3,145 1,153 1,157 1,158 2,166 1,172 14,175 5,178 3,180 4,183 17,186 2,187 7,190 2,192 4,195 11,198 2,199 11,204 5,207 4,211 1,212 12,215 1,217 5,220 7,224 11,229 4,232 10,236 1,237 9,240 1,241 1,242 2,245 10,250 7,253 2,258 12,262 1,263 4,266 1,268 1,271 12,275 2876,276 25.159,277 25.159,278 25.159,279 25.159,280 25.159,281 21.933,282 30.071,283 14.622,284 25.713,285 20.776,286 20.776,287 20.776,288 20.776,289 20.776,290 15.829,291 41.898,292 7.015,293 21.815,294 3.99,295 1.998,296 1.154,297 0.434,298 0.294,299 0.294,300 4.369,301 1,305 1,306 1215,307 4.062,310 88.54,311 377.1,312 116.878,315 173.169,318 2.526,319 63.956,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 85.333,331 560,332 4.559,333 4.475,334 7.242,335 4.253,336 3.381,337 4.152,338 3.825,339 12.189,340 3.005,341 4.485,342 3.684,343 6.57,344 4.082,345 3.129,346 4.085,347 2.003,348 10.47,349 2.981,350 4.23,351 3.573,352 6.179,353 3.858,354 2.882,355 3.813,356 1.058,357 9.23,358 2.794,359 4.057,360 3.178,361 6.047,362 3.732,363 2.752,364 3.441,365 0.992,366 8.686,367 2.654,368 3.888,369 3.053,370 5.455,371 3.498,372 2.507,373 3.375,374 0.522,375 7.252,376 2.484,377 3.716,378 2.966,379 5.408,380 3.328,381 2.36,382 3.067,383 0.219,384 6.938,385 2.304,386 3.541,387 2.683,388 5.28,389 3.159,390 2.215,391 2.739,393 6.476,394 2.111,395 3.481,396 2.494,397 5.031,398 3.039,399 2.115,400 2.694,402 6.004,403 1.822,404 3.19,405 1.998,406 4.951,407 2.8,408 1.84,409 2.406,411 5.542,412 1.752,413 2.921,414 1.964,415 4.339,416 2.466,417 1.49,418 2.064,420 4.012,421 1.447,422 2.808,423 1.664,424 4.094,425 2.349,426 1.361,427 1.911,428 3.353,429 1.333,430 2.697,431 1.486,432 3.991,433 2.194,434 1.214,435 1.701,436 3.087,437 1.163,438 2.593,439 1.405,440 3.838,441 2.123,442 1.155,443 1.618,445 2.994,446 1.11,447 2.583,448 1.395,449 3.587,450 2.114,451 1.135,452 1.615,454 2.782,455 1.088,456 2.518,457 1.154,458 3.473,459 2,460 1,461 1.5,463 2.449,464 1,465 17.738,466 0.467,467 1.175,468 0.031,469 52.75,470 1.388,471 28,472 0.737,473 24.75,474 0.651,475 31.185,476 0.821,477 39.862,478 0.699,479 47.838,480 1.259,481 10.741,482 0.283,483 7.428,484 0.195,485 0.126,486 0.028,487 0.333,490 3,493 0.575,494 0.936,495 0.543,496 0.872,497 0.567,498 0.795,499 0.452,500 0.863,501 0.632,502 0.946,503 0.417,504 0.942,505 0.768,506 0.908,507 0.911,508 1.016,509 0.7,510 1.042,511 0.877,512 1.025,513 0.976,514 1.11,515 0.852,516 1.043,517 0.919,518 0.924,519 0.697,520 0.87,521 0.904,522 0.852,523 0.773,524 0.748,525 0.878,526 0.916,527 0.801,528 1.035,529 0.704,530 0.753,531 0.828,532 0.889,533 0.678,534 0.965,535 0.851,536 0.891,537 0.877,538 1.037,539 0.855,540 1.103,541 9.5,542 0.308,543 4.444,544 3.042,545 2.324,546 1.515,547 0.789,548 0.67,549 0.456,550 0.376,551 24090,552 87232,553 2.075,554 33.3,556 14,558 1,559 2,560 2,564 1.786,565 1.924,566 3.804,567 0.201,573 105.018,574 1.842,575 3.835,576 4.679,577 5.399,578 5.539,579 5.539,580 3.264,581 4.827,582 5.219,583 4.034,584 2835.59,585 9.182,586 47745.5,591 332.475,592 1.584,593 5.165,594 0.226,595 0.008,596 0.073,597 0.048,598 0.038,599 0.025,600 0.014,601 0.013,602 0.01,603 0.009,604 0.464,605 0.17,606 0.75,607 0.697,608 212.491,609 -0.03,610 -0.026,611 0.01,612 0.013,613 -0.077,614 0.029,615 0.333,616 0.157,617 0.055,618 -0.033,619 0.328,620 -0.087,621 -0.073,622 -0.094,623 -0.073,624 -0.106,625 -0.05,626 -0.117,627 0.038,628 -0.118,629 0.057,630 -0.145,631 0.034,632 -0.06,633 -0.083,634 -0.068,635 0.096,636 0.055,637 -0.047,638 0.129,639 0.138,640 0.129,641 -0.064,642 -0.003,643 0.145,644 -0.108,645 -0.011,646 0.016,647 0.034,648 0.057,649 -0.011,650 0.076,651 -0.081,652 -0.098,653 -0.044,654 -0.091,655 -0.053,656 -0.109,657 5.945,658 5.715,659 0.737,660 47.74,661 1.035,662 1.134,663 4.089,664 16.722,665 0.71,666 3.761,667 4.127,668 4.369,669 4.644,670 4.868,671 4.977,672 5.118,673 5.263,674 5.38,675 5.493,676 8.663,677 0.706,678 537.96,679 3.761,680 5.333,681 6.184,682 7.079,683 7.948,684 8.843,685 9.719,686 10.615,687 11.495,688 12.391,689 8.8,696 2,697 1,698 1,699 1,704 13,705 1,709 8,710 1,711 23,714 1,718 1,730 1,731 57,733 26,734 3,735 42,737 61,738 27,739 21,740 6,741 12,742 2,746 5,747 6,748 1,752 1,755 1,757 1,758 1,761 24,762 3,766 3,771 2,774 1,775 3,779 3,781 19,782 9,783 2,784 11,785 1,790 5,794 0.8,795 2,803 1,811 1,812 3,813 1,816 1,826 1,840 4,845 1,846 3,848 38,854 2,855 2,860 1,869 4,870 3.5,873 2,877 19.75,878 10.338,879 8.056,880 3.215,881 4.566,882 1.525,883 1.025,884 7.07,885 13.265,886 4.052,887 4.67,888 5.218,889 5.791,890 6.287,891 6.549,892 6.941,893 7.307,894 7.704,895 8.065,896 0.9,897 64,898 14.698,900 7.052,901 8.229,902 25.677,904 21.227,905 2.729,906 103.694,910 200.109,911 171.413,912 71.247,913 39.149,914 50.29,915 44.88,917 171.413,918 289.547,919 116.127,921 40.662,922 113.715,923 90.89,924 96.574,926 188.338,927 46.908,928 200.109,929 242.659,930 95.17,931 39.149,933 200.109,934 95.17,937 78.359,938 147.637,939 55.812,941 244.989,942 121.536,943 210.561,946 207.868,947 40.891,948 124.539,949 36.022,950 167.767,951 200.109,952 166.417,953 210.561,955 0.595,956 0.336,957 0.181,958 0.1,959 30,960 14,961 0.082,962 5,963 1,964 1.071,965 4.728,966 378.204,967 0.071,968 28,969 190.666,974 25.716,975 10.448,976 5.828,978 164.64,979 20.734,980 4.367,984 1.062,985 1.66,986 36.022,987 577.087,988 56.5,993 25.404,996 4.646,997 -0.579,999 58.978,1000 64.61,1001 0.316,1002 0.657,1003 0.802,1004 0.926,1005 0.95,1006 0.95,1007 5.312,1008 2.115,1009 6.209,1010 6.476,1011 4.812,1012 5.359,1013 3.483,1014 7.054,1015 4.718,1016 6.548,1017 1.84,1018 7.794,1019 6.004,1020 4.575,1021 5.207,1022 3.979,1023 8.138,1024 4.346,1025 7.873,1026 1.49,1027 9.486,1028 5.542,1029 6.479,1030 7.541,1031 5.533,1032 11.183,1033 6.274,1034 9.231,1035 1.361,1036 11.241,1037 4.012,1038 7.022,1039 8.149,1040 6.718,1041 13.084,1042 6.67,1043 10.617,1044 1.214,1045 13.039,1046 3.353,1047 8.45,1048 9.99,1049 8.084,1050 15.71,1051 8.099,1052 12.023,1053 1.155,1054 14.867,1055 3.087,1056 9.34,1057 10.965,1058 9.397,1059 17.945,1060 8.847,1061 13.446,1062 1.135,1063 16.719,1064 2.994,1065 10.596,1066 12.584,1067 10.741,1068 20.449,1069 10.069,1070 3.381,1071 1,1072 18.589,1073 2.782,1074 11.644,1075 13.752,1076 12.077,1077 22.825,1078 10.986,1079 3.129,1080 12.189,1081 20.475,1082 2.449,1083 12.841,1084 15.263,1085 13.418,1086 25.3,1087 12.12,1088 2.882,1089 10.47,1090 22.373,1091 4.152,1092 13.961,1093 16.537,1094 14.759,1095 27.734,1096 13.119,1097 2.752,1098 9.23,1099 24.282,1100 4.085,1101 15.143,1102 17.994,1103 16.1,1104 30.208,1105 14.217,1106 2.507,1107 8.686,1108 26.201,1109 3.813,1110 16.299,1111 19.325,1112 17.441,1113 32.67,1114 15.256,1115 2.36,1116 7.252,1117 28.127,1118 3.441,1119 17.48,1120 20.756,1121 18.783,1122 35.148,1123 16.34,1124 2.215,1125 6.938,1126 30.059,1127 3.375,1128 18.654,1129 22.12,1130 20.125,1131 37.625,1132 17.4,1133 22652,1134 43490,1135 27.739,1136 40.46,1137 64.717,1138 65.239,1139 64.636,1140 63.864,1141 63.466,1142 83.781,1143 17.238,1144 188.27,1145 60.406,1146 5.471,1147 6.475,1148 7.044,1149 5.318,1150 5.381,1151 7.152,1152 5.385,1153 19.612,1154 5.005,1155 20.902,1156 1.541,1157 1.553,1158 1.539,1159 1.521,1160 1.511,1161 1.995,1162 0.41,1163 4.483,1164 1.438,1165 4.065,1166 4.111,1167 4.065,1168 3.948,1169 8.513,1170 3.957,1171 3.963,1172 3.99,1173 4.002,1174 3.874,1175 7.999,1176 3.878,1177 3.9,1178 3.927,1179 3.855,1180 3.841,1181 7.999,1182 3.836,1183 3.817,1184 3.856,1185 3.764,1186 3.688,1187 7.431,1188 3.708,1189 3.513,1190 3.559,1191 3.501,1192 3.321,1193 7.427,1194 3.342,1195 3.407,1196 3.436,1197 3.413,1198 3.163,1199 5.004,1200 3.205,1201 3.218,1202 3.262,1203 3.384,1204 2.978,1205 4.891,1206 2.996,1207 3.138,1208 3.193,1209 3.104,1210 2.95,1211 4.76,1212 2.971,1213 0.109,1214 0.107,1215 0.172,1216 0.101,1217 0.08,1218 4.559,1219 0.099,1220 4.475,1221 0.091,1222 7.242,1223 0.29,1224 4.253,1225 0.072,1226 3.381,1227 4.152,1228 3.825,1229 12.189,1230 3.005,1231 1.944,1232 1.922,1233 2.042,1234 2.041,1235 1.168,1236 2.037,1237 1.915,1238 1.884,1239 2.028,1240 2.017,1241 1.15,1242 2.025,1243 1.888,1244 1.87,1245 1.957,1246 1.968,1247 1.102,1248 1.968,1249 1.547,1250 1.5,1251 1.689,1252 1.793,1253 0.852,1254 1.759,1255 1.523,1256 1.483,1257 1.623,1258 1.688,1259 0.785,1260 1.672,1261 1.333,1262 1.263,1263 1.507,1264 1.592,1265 0.588,1266 1.565,1267 1.229,1268 1.21,1269 1.311,1270 1.512,1271 0.331,1272 1.44,1273 1.05,1274 1.006,1275 1.204,1276 1.346,1277 0.257,1278 1.292,1279 4.443,1281 5.796,1282 2.398,1283 7.322,1284 4.844,1285 8.924,1286 7.002,1287 10.569,1290 5.652,1291 39.573,1295 0.424,1296 5.448,1301 -4.695,1305 40.255,1306 105.018,1307 218.595,1308 266.7,1309 307.72,1310 315.72,1311 315.72,1312 95.192,1313 8.7,1314 88.38,1315 88.38,1316 30,1317 12.919,1318 4.755,1319 3.954,1320 59.28,1321 198,1322 200,1323 0.144,1324 245.705,1325 439.3,1326 591.279,1327 89598,1328 7,1329 26.863,1330 0.707,1331 0.535,1332 24.863,1333 20.346,1334 18.169,1335 0.433,1336 0.281,1337 11.267,1338 17.1,1339 11.076,1340 9.086,1341 17.246,1342 11.807,1343 17.602,1344 0.289,1345 0.147,1346 15.978,1347 8.94,1348 13.814,1349 0.177,1350 0.079,1351 13.533,1352 6.154,1353 11.781,1354 0.114,1355 0.041,1356 10.96,1357 4.23,1358 9.491,1359 0.074,1360 0.022,1361 9.205,1362 2.831,1363 0.23,1364 117.847,1365 0.19,1366 34.679,1367 0.382,1368 206,1369 823.609,1370 253.317,1371 748.246,1372 978.65,1373 692,1374 242,1375 675.274,1376 279.72,1377 673.735,1378 1004.24,1379 633,1380 5.668}
{0 CHEMBL1921986,1 1.715,2 12.971,3 1.333,4 1.778,5 135.112,6 7.672,7 0.41,8 4.293,9 4.42,10 3.917,11 3.768,12 5.358,13 3.751,14 4.874,15 5.071,16 4.32,17 4.188,18 5.906,19 4.148,20 5.099,21 5.301,22 4.433,23 4.354,24 6.174,25 4.285,26 5.182,27 5.409,28 4.357,29 4.415,30 6.156,31 4.297,32 5.173,33 5.399,34 4.385,35 4.444,36 6.096,37 4.316,38 5.169,39 5.379,40 4.385,41 4.456,42 6.102,43 4.334,44 5.191,45 5.425,46 4.291,47 4.384,48 6.089,49 4.269,50 5.22,51 5.498,52 4.188,53 4.28,54 6.087,55 4.164,56 0.097,57 1.055,58 14.237,59 5.568,60 13.534,61 7.477,62 0.564,63 1.676,64 29.998,65 9.408,66 39.239,67 12.792,68 0.775,69 2.007,70 41.278,71 11.562,72 70.979,73 16.605,74 0.696,75 2.092,76 45.3,77 14.542,78 73.931,79 19.472,80 0.681,81 2.09,82 49.937,83 15.901,84 60.814,85 20.527,86 0.67,87 2.162,88 47.985,89 15.296,90 46.705,91 20.064,92 0.506,93 2.091,94 43.509,95 13.57,96 46.97,97 20.041,98 0.74,99 1.958,100 46.612,101 12.624,102 62.249,103 19.334,104 28,105 56,106 0.273,107 0.592,108 0.766,109 0.812,110 0.812,111 0.812,112 3.589,113 0.971,114 -2.44,115 -2.47,116 -2.42,119 35.4,120 2,125 9,127 1,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,172 1,174 4,175 5,177 2,178 2,180 1,183 1,186 2,187 8,190 2,195 1,198 5,199 4,204 1,207 1,209 1,211 3,212 2,220 2,223 4,224 6,226 2,227 3,236 1,237 8,249 1,250 3,252 1,253 1,255 1,260 1,262 7,263 1,268 4,271 2,273 2,275 2235,276 23.585,277 23.585,278 23.585,279 23.585,280 23.585,281 21.616,282 30.022,283 13.697,284 24.516,285 19.222,286 19.222,287 19.222,288 19.222,289 19.222,290 16.077,291 37.777,292 6.528,293 20.742,294 4.308,295 2.302,296 1.208,297 0.916,298 0.916,299 0.916,300 4.294,305 1,306 989,307 3.536,310 79.67,311 430.964,314 148.43,318 1.976,319 38.518,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 77,331 454,332 4.724,333 3.833,334 6.907,335 4.239,336 3.306,337 4.689,338 2.035,339 11.607,340 3.082,341 4.189,342 3.423,343 6.285,344 3.882,345 2.924,346 3.805,347 0.916,348 9.313,349 2.795,350 4.068,351 3.086,352 6.254,353 3.78,354 2.828,355 3.401,356 0.86,357 9.184,358 2.696,359 3.971,360 2.854,361 6.103,362 3.663,363 2.726,364 3.231,365 0.8,366 8.904,367 2.545,368 3.665,369 2.787,370 5.548,371 3.383,372 2.452,373 3.06,374 0.642,375 7.324,376 2.276,377 3.529,378 2.444,379 5.232,380 3.196,381 2.289,382 2.675,383 0.172,384 6.221,385 2.074,386 3.245,387 2.326,388 5.045,389 2.968,390 2.033,391 2.349,392 0.129,393 6.027,394 1.888,395 3.082,396 2.292,397 4.897,398 2.78,399 1.864,400 2.219,402 5.228,403 1.699,404 2.883,405 2.038,406 4.773,407 2.584,408 1.687,409 2.009,411 4.9,412 1.5,413 2.789,414 1.942,415 4.387,416 2.349,417 1.444,418 1.808,420 4.112,421 1.304,422 2.514,423 1.749,424 4.044,425 2.199,426 1.318,427 1.516,428 3.229,429 1.14,430 2.5,431 1.432,432 3.506,433 1.967,434 1,435 1.5,436 2.315,437 0.965,438 2.13,439 1.256,440 3.414,441 1.952,442 1,443 1.044,445 2.275,446 0.946,447 2.096,448 1.146,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1.13,458 3.282,459 1.787,460 0.866,461 1,463 2.136,464 0.785,465 16.533,466 0.472,467 0.942,468 0.027,469 41.5,470 1.186,471 16.5,472 0.471,473 25,474 0.714,475 37.385,476 1.068,477 39.267,478 0.604,479 32.58,480 0.931,481 7.894,482 0.226,483 9.007,484 0.257,485 0.125,487 0.375,493 0.913,494 1.608,495 0.766,496 1.142,497 0.806,498 1.02,499 1.071,500 0.946,501 0.834,502 0.774,503 0.666,504 0.785,505 1.016,506 1.193,507 1.031,508 1.074,509 0.848,510 0.997,511 0.96,512 0.991,513 1.117,514 1.064,515 1.213,516 1.057,517 0.849,518 1.033,519 1.261,520 1.176,521 0.943,522 0.983,523 0.737,524 1.11,525 1.358,526 1.381,527 0.625,528 1.206,529 0.725,530 1.324,531 0.988,532 1.229,533 0.622,534 1.202,535 0.893,536 0.923,537 0.842,538 0.845,539 0.674,540 0.918,541 7,542 0.188,543 4.444,544 2.451,545 1.925,546 1.844,547 1.061,548 0.5,549 0.517,550 0.319,551 17972,552 49952,553 2.106,554 46.2,555 3,556 19,558 2,559 3,561 3,564 1.77,565 1.963,566 3.624,567 0.905,573 111.45,574 1.715,575 3.721,576 4.814,577 5.107,578 5.107,579 5.107,580 3.134,581 4.672,582 5.094,583 3.821,584 2273.27,585 8.967,586 34971.9,591 391.454,592 1.438,593 5.057,594 0.179,595 0.005,596 0.079,597 0.042,598 0.036,599 0.032,600 0.019,601 0.01,602 0.011,603 0.008,604 0.422,605 0.33,606 0.63,607 0.841,608 188.37,609 -0.092,610 -0.332,611 0.069,612 -0.067,613 -0.086,614 -0.013,615 -0.044,616 0.2,617 0.114,618 0.219,619 0.052,620 0.17,621 -0.003,622 -0.092,623 0.005,624 -0.012,625 0.094,626 -0.013,627 -0.08,628 0.063,629 -0.067,630 0.015,631 -0.123,632 -0.047,633 -0.018,634 0.022,635 -0.028,636 0.06,637 -0.059,638 0.077,639 0.019,640 0.017,641 -0.187,642 -0.171,643 -0.028,644 -0.162,645 -0.009,646 -0.291,647 -0.065,648 -0.22,649 -0.037,650 -0.186,651 -0.057,652 0.022,653 0.066,654 0.04,655 -0.027,656 0.049,657 2.288,658 5.105,659 0.771,660 41.682,661 1.009,662 1.14,663 1.215,664 1.476,665 0.653,666 3.689,667 4.043,668 4.344,669 4.615,670 4.913,671 5.069,672 5.298,673 5.493,674 5.645,675 5.781,676 7.571,677 0.62,678 498.68,679 3.689,680 5.252,681 6.12,682 7.011,683 7.901,684 8.8,685 9.7,686 10.607,687 11.514,688 12.425,689 12.3,692 1,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 65,733 17,735 39,737 69,738 23,739 10,746 5,747 6,752 2,758 1,761 11,762 12,766 1,771 1,775 1,781 30,782 11,783 3,784 12,785 1,790 8,794 0.8,795 3,797 1,806 2,811 1,812 4,815 1,827 1,836 1,838 1,839 1,840 4,842 1,844 2,848 35,849 1,853 1,854 9,856 1,858 1,859 3,865 1,870 4.6,871 1,873 1,874 1,877 17.833,878 12.183,879 7.556,880 3.946,881 2.937,882 1.35,883 0.966,884 7.232,885 11.323,886 3.892,887 4.486,888 5.085,889 5.679,890 6.271,891 6.707,892 7.218,893 7.7,894 8.061,895 8.429,896 0.889,897 59,898 12.997,900 5.596,901 7.733,902 25.004,904 20.913,905 2.233,906 78.167,910 317.82,911 112.827,912 109.412,914 78.828,916 31.278,917 81.549,918 396.648,919 109.412,920 17.65,921 27.049,922 75.581,923 131.534,924 35.187,925 6.331,926 325.555,928 317.82,929 190.961,930 78.828,931 31.278,933 284.834,934 60.458,935 53.683,937 69.962,938 51.529,939 67.142,940 31.278,941 317.82,942 188.24,943 112.827,946 317.82,947 77.081,948 45.118,950 178.867,951 317.82,952 188.24,953 112.827,955 0.591,956 0.347,957 0.179,958 0.103,959 28,960 13,961 0.072,962 5,963 1,964 1.074,965 4.48,966 346.359,967 0.074,968 27,969 167.525,970 1,974 24.411,975 10.369,976 5.153,977 2.013,978 188.24,979 3.312,980 18.094,983 1.735,984 4.814,986 75.581,987 618.887,988 48,993 12.105,997 -0.202,999 65.592,1000 74.102,1001 0.285,1002 0.618,1003 0.799,1004 0.848,1005 0.848,1006 0.848,1007 5.165,1008 1.864,1009 6.12,1010 6.027,1011 4.727,1012 5.173,1013 2.55,1014 6.957,1015 4.583,1016 6.363,1017 1.687,1018 7.699,1019 5.228,1020 4.369,1021 5.066,1022 1.803,1023 7.899,1024 4.179,1025 7.676,1026 1.444,1027 9.377,1028 4.9,1029 6.351,1030 7.372,1031 3.299,1032 11.02,1033 6.08,1034 9.025,1035 1.318,1036 11.113,1037 4.112,1038 6.804,1039 8.128,1040 3.314,1041 12.791,1042 6.492,1043 10.411,1044 1,1045 12.886,1046 3.229,1047 8.267,1048 9.946,1049 4.475,1050 15.439,1051 7.879,1052 11.822,1053 1,1054 14.684,1055 2.315,1056 9.088,1057 11.108,1058 4.826,1059 17.568,1060 8.653,1061 13.253,1062 1,1063 16.501,1064 2.275,1065 10.351,1066 12.743,1067 5.796,1068 20.059,1069 9.845,1070 3.306,1071 0.866,1072 18.333,1073 2.275,1074 11.349,1075 14.103,1076 6.308,1077 22.35,1078 10.786,1079 2.924,1080 11.607,1081 20.177,1082 2.136,1083 12.536,1084 15.67,1085 7.167,1086 24.792,1087 11.904,1088 2.828,1089 9.313,1090 22.031,1091 4.689,1092 13.618,1093 17.126,1094 7.765,1095 27.16,1096 12.924,1097 2.726,1098 9.184,1099 23.893,1100 3.805,1101 14.782,1102 18.67,1103 8.56,1104 29.591,1105 14.018,1106 2.452,1107 8.904,1108 25.762,1109 3.401,1110 15.907,1111 20.17,1112 9.206,1113 31.997,1114 15.076,1115 2.289,1116 7.324,1117 27.637,1118 3.231,1119 17.068,1120 21.709,1121 9.966,1122 34.43,1123 16.166,1124 2.033,1125 6.221,1126 29.517,1127 3.06,1128 18.216,1129 23.231,1130 10.639,1131 36.855,1132 17.244,1133 17000,1134 28481,1135 26.065,1136 42.432,1137 59.745,1138 60.851,1139 61.115,1140 59.353,1141 59.293,1142 72.814,1143 11.11,1144 174.402,1145 54.952,1146 5.724,1147 5.833,1148 6.709,1149 5.383,1150 5.306,1151 7.689,1152 3.579,1153 19.156,1154 5.016,1155 18.302,1156 1.532,1157 1.56,1158 1.567,1159 1.522,1160 1.52,1161 1.867,1162 0.285,1163 4.472,1164 1.409,1165 4.111,1166 4.136,1167 4.348,1168 4.084,1169 7.428,1170 4.043,1171 3.861,1172 3.925,1173 3.826,1174 3.682,1175 6.444,1176 3.697,1177 3.809,1178 3.859,1179 3.766,1180 3.641,1181 5.244,1182 3.658,1183 3.737,1184 3.787,1185 3.646,1186 3.529,1187 5.007,1188 3.543,1189 3.569,1190 3.618,1191 3.456,1192 3.361,1193 4.616,1194 3.373,1195 3.352,1196 3.42,1197 3.334,1198 3.152,1199 4.577,1200 3.172,1201 3.131,1202 3.226,1203 3.088,1204 2.947,1205 4.372,1206 2.91,1207 3.111,1208 3.206,1209 2.956,1210 2.941,1211 4.223,1212 2.91,1213 0.121,1214 0.098,1215 0.177,1216 0.109,1217 0.085,1218 4.724,1219 0.12,1220 3.833,1221 0.052,1222 6.907,1223 0.298,1224 4.239,1225 0.079,1226 3.306,1227 4.689,1228 2.035,1229 11.607,1230 3.082,1231 1.895,1232 1.86,1233 1.993,1234 2.06,1235 1.31,1236 2.036,1237 1.805,1238 1.747,1239 1.96,1240 2.027,1241 1.218,1242 2.02,1243 1.709,1244 1.659,1245 1.868,1246 1.932,1247 1.037,1248 1.915,1249 1.637,1250 1.597,1251 1.799,1252 1.813,1253 0.94,1254 1.808,1255 1.542,1256 1.507,1257 1.763,1258 1.76,1259 0.895,1260 1.757,1261 1.458,1262 1.416,1263 1.538,1264 1.605,1265 0.825,1266 1.634,1267 1.153,1268 1.064,1269 1.513,1270 1.385,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.768,1278 1.429,1279 4.369,1281 5.714,1282 2.398,1283 7.252,1284 4.844,1285 8.874,1286 7.034,1287 10.542,1289 3.633,1293 5.676,1294 9.601,1295 6.431,1297 5.565,1299 -0.954,1300 6.345,1305 40.297,1306 111.45,1307 241.848,1308 312.925,1309 331.944,1310 331.944,1311 331.944,1312 62.285,1313 8.386,1314 133.83,1315 162.07,1316 29,1317 12.941,1318 4.17,1319 3.322,1320 52.071,1321 159,1322 170,1323 0.161,1324 248.482,1325 423.72,1326 598.056,1327 50932,1329 24.526,1330 0.701,1331 0.594,1332 24.88,1333 20.792,1334 16.902,1335 0.433,1336 0.324,1337 11.642,1338 15.595,1339 11.299,1340 9.237,1341 17.31,1342 12.619,1343 15.616,1344 0.279,1345 0.179,1346 16.231,1347 10.011,1348 13.549,1349 0.178,1350 0.102,1351 14.408,1352 7.757,1353 10.81,1354 0.108,1355 0.057,1356 11.82,1357 5.74,1358 9.279,1359 0.069,1360 0.032,1361 10.237,1362 4.253,1363 0.253,1364 111.424,1365 0.196,1366 32.047,1367 0.446,1368 190,1369 567.309,1370 238.584,1371 558.838,1372 765.48,1373 526,1374 227,1375 545.443,1376 277.795,1377 563.152,1378 836.71,1379 530,1380 8.06}
{0 CHEMBL1922090,1 1.699,2 12.853,3 0.666,4 0.444,5 132.351,6 7.677,7 0.421,8 4.264,9 4.4,10 3.892,11 3.738,12 5.325,13 3.721,14 4.841,15 5.043,16 4.285,17 4.159,18 5.853,19 4.114,20 5.054,21 5.264,22 4.393,23 4.326,24 6.064,25 4.252,26 5.137,27 5.364,28 4.323,29 4.388,30 6.092,31 4.265,32 5.144,33 5.386,34 4.349,35 4.407,36 6.035,37 4.273,38 5.098,39 5.309,40 4.36,41 4.412,42 6.029,43 4.296,44 5.137,45 5.359,46 4.272,47 4.358,48 6.052,49 4.246,50 5.206,51 5.492,52 4.166,53 4.259,54 6.056,55 4.139,56 0.084,57 1.048,58 13.829,59 5.156,60 11.742,61 7.135,62 0.54,63 1.645,64 29.031,65 8.86,66 35.563,67 12.286,68 0.642,69 1.955,70 39.54,71 11.084,72 52.269,73 16.094,74 0.597,75 2.035,76 43.029,77 14.044,78 62.216,79 18.934,80 0.627,81 2.043,82 49.216,83 15.117,84 53.836,85 20.025,86 0.573,87 2.078,88 44.783,89 14.063,90 38.078,91 18.528,92 0.428,93 2.018,94 40.455,95 12.907,96 41.945,97 18.927,98 0.698,99 1.907,100 46.253,101 12.269,102 58.223,103 19.085,104 19,105 54,106 0.272,107 0.587,108 0.749,109 0.807,110 0.807,111 0.807,112 3.561,113 0.968,114 -2.23,115 -2.27,116 -2.24,119 34.9,120 1,125 10,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 2,164 2,165 2,172 1,174 4,175 5,177 2,178 2,183 1,186 2,187 6,189 2,190 2,195 1,198 5,199 4,204 1,207 1,209 1,211 3,212 2,220 2,223 4,224 5,226 3,227 3,236 1,237 8,249 1,250 3,252 1,253 1,255 1,260 1,262 7,263 1,268 4,273 4,275 2076,276 23.248,277 23.248,278 23.248,279 23.248,280 23.248,281 21.254,282 29.253,283 13.556,284 24.135,285 18.686,286 18.686,287 18.686,288 18.686,289 18.686,290 15.506,291 36.476,292 6.396,293 20.144,294 4.278,295 2.31,296 1.298,297 0.933,298 0.933,299 0.933,300 4.268,305 1,306 956,307 3.24,310 76.212,311 413.109,314 141.791,318 1.929,319 34.1,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 74.5,331 437,332 4.724,333 3.72,334 6.907,335 4.239,336 3.306,337 4.689,338 1.984,339 11.607,340 3.082,341 4.189,342 3.423,343 6.256,344 3.802,345 2.857,346 3.805,347 0.916,348 9.306,349 2.706,350 3.982,351 3.085,352 6.103,353 3.747,354 2.791,355 3.401,356 0.86,357 8.904,358 2.664,359 3.942,360 2.851,361 6.021,362 3.658,363 2.721,364 3.102,365 0.8,366 8.542,367 2.542,368 3.664,369 2.78,370 5.537,371 3.33,372 2.398,373 3.06,374 0.596,375 7.268,376 2.229,377 3.503,378 2.435,379 5.2,380 3.19,381 2.281,382 2.667,383 0.172,384 6.178,385 2.07,386 3.219,387 2.316,388 5.045,389 2.939,390 2.004,391 2.312,392 0.076,393 6.003,394 1.861,395 3.073,396 2.219,397 4.857,398 2.658,399 1.749,400 2.218,402 5.147,403 1.576,404 2.86,405 1.97,406 4.388,407 2.387,408 1.45,409 1.995,411 4.119,412 1.351,413 2.582,414 1.75,415 4.125,416 2.341,417 1.419,418 1.556,420 3.515,421 1.296,422 2.505,423 1.432,424 4.032,425 2.188,426 1.305,427 1.5,428 3.217,429 1.131,430 2.5,431 1.256,432 3.503,433 1.967,434 1,435 1.496,436 2.306,437 0.965,438 2.109,439 1.172,440 3.414,441 1.952,442 1,443 1.038,445 2.275,446 0.946,447 2,448 1.146,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1.13,458 3.247,459 1.756,460 0.858,461 1,463 2.136,464 0.762,465 16.1,466 0.474,467 0.815,468 0.024,469 41,470 1.206,471 16.5,472 0.485,473 24.5,474 0.721,475 34.914,476 1.027,477 37.9,478 0.602,479 31.659,480 0.931,481 7.914,482 0.233,483 8.616,484 0.253,485 0.101,487 0.354,493 0.929,494 1.6,495 0.766,496 1.121,497 0.794,498 1.002,499 1.117,500 0.931,501 0.848,502 0.757,503 0.656,504 0.782,505 1.031,506 1.149,507 1.024,508 1.071,509 0.82,510 0.986,511 0.931,512 1.043,513 1.127,514 1.127,515 1.198,516 1.108,517 0.774,518 1,519 1.228,520 1.138,521 0.864,522 0.932,523 0.729,524 1.072,525 1.389,526 1.398,527 0.551,528 1.196,529 0.8,530 1.386,531 1.032,532 1.314,533 0.733,534 1.278,535 0.916,536 0.896,537 0.822,538 0.826,539 0.677,540 0.895,541 6.5,542 0.152,543 4.222,544 2.201,545 1.765,546 1.817,547 0.98,548 0.5,549 0.493,550 0.299,551 16571,552 45251,553 2.127,554 46,555 3,556 20,558 2,559 4,564 1.764,565 2,566 3.597,567 1.633,573 107.05,574 1.699,575 3.667,576 4.679,577 5.045,578 5.045,579 5.045,580 3.114,581 4.558,582 5.051,583 3.774,584 2117.35,585 8.887,586 31733.7,591 376.569,592 1.379,593 5.023,594 0.171,595 0.005,596 0.078,597 0.039,598 0.034,599 0.033,600 0.018,601 0.01,602 0.011,603 0.007,604 0.406,605 0.17,606 0.63,607 0.812,608 180.956,609 -0.099,610 -0.314,611 0.071,612 -0.06,613 -0.075,614 -0.004,615 -0.047,616 0.211,617 0.103,618 0.234,619 0.052,620 0.17,621 -0.035,622 -0.05,623 0.014,624 0.002,625 0.062,626 0.006,627 -0.056,628 0.013,629 -0.077,630 -0.028,631 -0.111,632 -0.087,633 0.019,634 0.042,635 0.017,636 0.096,637 -0.028,638 0.129,639 0.014,640 0.084,641 -0.198,642 -0.169,643 -0.019,644 -0.153,645 -0.022,646 -0.339,647 -0.113,648 -0.285,649 -0.065,650 -0.258,651 -0.047,652 0.024,653 0.089,654 0.058,655 -0.017,656 0.073,657 1.651,658 4.899,659 0.794,660 39.709,661 1.008,662 1.142,663 1,664 1,665 0.654,666 3.664,667 4.007,668 4.317,669 4.595,670 4.898,671 5.056,672 5.278,673 5.476,674 5.631,675 5.762,676 7.337,677 0.62,678 483.67,679 3.664,680 5.22,681 6.089,682 6.978,683 7.868,684 8.768,685 9.668,686 10.575,687 11.483,688 12.395,689 14.3,690 1,692 1,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 63,733 17,735 38,737 67,738 22,739 10,746 5,747 6,752 2,761 11,762 11,766 1,771 1,775 1,781 29,782 11,783 4,784 12,785 1,790 9,794 0.8,795 2,806 2,811 1,812 4,815 1,827 1,833 1,836 1,839 1,840 4,842 1,844 1,848 34,849 2,854 10,856 1,859 3,865 1,870 3.2,873 1,874 1,877 17,878 11.483,879 7.444,880 3.754,881 2.947,882 1.354,883 1.005,884 6.996,885 11.269,886 3.871,887 4.463,888 5.067,889 5.672,890 6.267,891 6.704,892 7.215,893 7.698,894 8.059,895 8.426,896 0.889,897 57,898 12.59,900 5.379,901 7.686,902 24.339,904 20.317,905 2.186,906 74.333,910 294.278,911 106.107,912 142.309,914 36.145,916 31.278,917 74.83,918 330.422,919 142.309,920 8.825,921 62.052,922 32.897,923 131.534,924 35.187,925 6.331,926 302.013,928 294.278,929 217.139,930 36.145,931 31.278,933 296.605,934 25.145,935 11,937 96.139,938 51.529,939 67.142,940 31.278,941 294.278,942 178.454,943 106.107,946 294.278,947 79.187,948 36.293,950 169.081,951 294.278,952 178.454,953 106.107,955 0.584,956 0.348,957 0.182,958 0.105,959 27,960 12,961 0.075,962 5,963 1,964 1.074,965 4.425,966 333.504,967 0.074,968 27,969 160.974,970 1,974 23.456,975 10.14,976 4.93,977 2.048,978 178.454,979 3.328,980 18.11,983 1.755,984 4.908,986 65.794,987 578.839,988 47,993 11.899,997 0.016,999 63.483,1000 71.976,1001 0.284,1002 0.613,1003 0.783,1004 0.844,1005 0.844,1006 0.844,1007 5.136,1008 1.749,1009 6.08,1010 6.003,1011 4.691,1012 5.15,1013 2.499,1014 6.913,1015 4.547,1016 6.33,1017 1.45,1018 7.653,1019 5.147,1020 4.29,1021 5.027,1022 1.803,1023 7.844,1024 4.103,1025 7.642,1026 1.419,1027 9.325,1028 4.119,1029 6.308,1030 7.354,1031 3.185,1032 10.966,1033 6.034,1034 8.99,1035 1.305,1036 11.056,1037 3.515,1038 6.735,1039 8.104,1040 3.237,1041 12.737,1042 6.417,1043 10.375,1044 1,1045 12.824,1046 3.217,1047 8.215,1048 9.931,1049 4.304,1050 15.384,1051 7.818,1052 11.786,1053 1,1054 14.619,1055 2.306,1056 9.023,1057 11.093,1058 4.679,1059 17.516,1060 8.575,1061 13.217,1062 1,1063 16.433,1064 2.275,1065 10.294,1066 12.732,1067 5.575,1068 20.008,1069 9.772,1070 3.306,1071 0.858,1072 18.263,1073 2.275,1074 11.285,1075 14.094,1076 6.099,1077 22.305,1078 10.703,1079 2.857,1080 11.607,1081 20.105,1082 2.136,1083 12.476,1084 15.663,1085 6.899,1086 24.751,1087 11.823,1088 2.791,1089 9.306,1090 21.958,1091 4.689,1092 13.556,1093 17.12,1094 7.498,1095 27.124,1096 12.837,1097 2.721,1098 8.904,1099 23.819,1100 3.805,1101 14.723,1102 18.666,1103 8.246,1104 29.56,1105 13.933,1106 2.398,1107 8.542,1108 25.687,1109 3.401,1110 15.849,1111 20.167,1112 8.884,1113 31.97,1114 14.989,1115 2.281,1116 7.268,1117 27.562,1118 3.102,1119 17.012,1120 21.707,1121 9.604,1122 34.408,1123 16.081,1124 2.004,1125 6.178,1126 29.444,1127 3.06,1128 18.162,1129 23.23,1130 10.263,1131 36.836,1132 17.159,1133 15630,1134 25975,1135 25.66,1136 41.222,1137 57.424,1138 58.888,1139 59.395,1140 57.199,1141 57.159,1142 70.666,1143 10.81,1144 167.365,1145 53.009,1146 5.724,1147 5.72,1148 6.709,1149 5.383,1150 5.306,1151 7.689,1152 3.451,1153 19.156,1154 5.015,1155 16.034,1156 1.511,1157 1.55,1158 1.563,1159 1.505,1160 1.504,1161 1.86,1162 0.284,1163 4.404,1164 1.395,1165 4.111,1166 4.136,1167 4.347,1168 4.084,1169 7.427,1170 4.042,1171 3.856,1172 3.923,1173 3.826,1174 3.682,1175 5.245,1176 3.696,1177 3.807,1178 3.859,1179 3.753,1180 3.631,1181 5.009,1182 3.647,1183 3.736,1184 3.786,1185 3.645,1186 3.528,1187 4.986,1188 3.541,1189 3.512,1190 3.582,1191 3.411,1192 3.268,1193 4.616,1194 3.293,1195 3.342,1196 3.413,1197 3.317,1198 3.137,1199 4.577,1200 3.156,1201 3.111,1202 3.206,1203 3.085,1204 2.941,1205 4.37,1206 2.91,1207 3.111,1208 3.206,1209 2.912,1210 2.941,1211 4.221,1212 2.91,1213 0.124,1214 0.098,1215 0.182,1216 0.112,1217 0.087,1218 4.724,1219 0.123,1220 3.72,1221 0.052,1222 6.907,1223 0.305,1224 4.239,1225 0.081,1226 3.306,1227 4.689,1228 1.984,1229 11.607,1230 3.082,1231 1.895,1232 1.86,1233 1.992,1234 2.06,1235 1.309,1236 2.036,1237 1.803,1238 1.742,1239 1.959,1240 2.025,1241 1.218,1242 2.019,1243 1.709,1244 1.659,1245 1.868,1246 1.932,1247 1.034,1248 1.915,1249 1.631,1250 1.587,1251 1.786,1252 1.807,1253 0.924,1254 1.801,1255 1.517,1256 1.49,1257 1.673,1258 1.729,1259 0.825,1260 1.721,1261 1.392,1262 1.329,1263 1.533,1264 1.594,1265 0.825,1266 1.62,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.778,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.734,1278 1.429,1279 4.344,1281 5.68,1282 2.398,1283 7.216,1284 4.844,1285 8.837,1286 7.034,1287 10.505,1289 2.127,1293 11.195,1295 6.884,1297 5.566,1300 6.498,1305 39.077,1306 107.05,1307 231.017,1308 294.794,1309 317.814,1310 317.814,1311 317.814,1312 54.411,1313 8.321,1314 139.62,1315 167.86,1316 29,1317 12.91,1318 4.17,1319 3.322,1320 49.82,1321 149,1322 178,1323 0.165,1324 241.688,1325 408.63,1326 581.478,1327 46811,1329 23.656,1330 0.696,1331 0.59,1332 24.01,1333 20.052,1334 16.529,1335 0.435,1336 0.323,1337 11.284,1338 15.249,1339 10.986,1340 8.974,1341 16.937,1342 12.256,1343 14.898,1344 0.276,1345 0.178,1346 15.514,1347 9.594,1348 13.202,1349 0.178,1350 0.103,1351 14.062,1352 7.616,1353 10.642,1354 0.109,1355 0.057,1356 11.652,1357 5.634,1358 9.154,1359 0.069,1360 0.031,1361 10.113,1362 4.171,1363 0.257,1364 108.964,1365 0.197,1366 31.253,1367 0.458,1368 184,1369 538.472,1370 231.174,1371 534.428,1372 736.16,1373 504,1374 220,1375 527.593,1376 269.219,1377 545.917,1378 810.44,1379 514,1380 9.155}
{0 CHEMBL1922091,1 1.678,2 12.971,3 1.044,4 1.089,5 136.769,6 7.541,7 0.41,8 4.304,9 4.441,10 3.915,11 3.779,12 5.354,13 3.757,14 4.884,15 5.089,16 4.317,17 4.202,18 5.886,19 4.154,20 5.11,21 5.322,22 4.429,23 4.37,24 6.133,25 4.295,26 5.208,27 5.442,28 4.355,29 4.429,30 6.168,31 4.307,32 5.178,33 5.412,34 4.382,35 4.46,36 6.071,37 4.325,38 5.195,39 5.419,40 4.384,41 4.475,42 6.091,43 4.346,44 5.216,45 5.457,46 4.29,47 4.397,48 6.096,49 4.277,50 5.222,51 5.504,52 4.186,53 4.29,54 6.074,55 4.169,56 0.072,57 1.086,58 14.827,59 5.475,60 12.877,61 7.676,62 0.522,63 1.714,64 30.739,65 9.407,66 37.587,67 13.232,68 0.627,69 2.052,70 41.961,71 11.622,72 56.074,73 17.184,74 0.684,75 2.126,76 47.055,77 14.683,78 74.468,79 20.051,80 0.585,81 2.142,82 49.971,83 15.759,84 53.364,85 20.949,86 0.582,87 2.217,88 49.468,89 15.572,90 42.74,91 21.006,92 0.476,93 2.111,94 45.244,95 13.773,96 47.104,97 20.664,98 0.656,99 1.959,100 46.587,101 12.514,102 57.111,103 19.516,104 28,105 56,106 0.266,107 0.585,108 0.765,109 0.811,110 0.811,111 0.811,112 3.589,113 0.976,114 -2.44,115 -2.47,116 -2.42,119 34.8,120 2,125 9,127 1,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 2,164 2,165 2,172 1,174 4,175 5,177 2,178 2,180 1,183 1,185 1,186 2,187 8,189 2,190 2,195 1,198 5,199 4,204 1,207 1,209 1,211 3,212 2,220 2,223 4,224 6,226 3,227 3,236 1,237 8,249 1,250 3,252 1,253 1,255 1,260 1,262 7,263 1,268 4,271 2,273 4,275 2235,276 23.585,277 23.585,278 23.585,279 23.585,280 23.585,281 21.616,282 30.215,283 13.697,284 24.49,285 19.222,286 19.222,287 19.222,288 19.222,289 19.222,290 16.077,291 38.18,292 6.528,293 20.701,294 4.366,295 2.358,296 1.22,297 0.932,298 0.932,299 0.932,300 4.294,305 1,306 989,307 3.536,310 79.67,311 430.964,314 148.43,318 1.976,319 35.381,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 76.5,331 454,332 4.724,333 3.814,334 6.907,335 4.239,336 3.306,337 4.689,338 1.984,339 11.607,340 3.082,341 4.189,342 3.423,343 6.285,344 3.886,345 2.924,346 3.805,347 0.916,348 9.313,349 2.814,350 4.068,351 3.086,352 6.254,353 3.781,354 2.828,355 3.401,356 0.86,357 9.184,358 2.696,359 3.971,360 2.853,361 6.103,362 3.663,363 2.726,364 3.231,365 0.8,366 8.904,367 2.546,368 3.665,369 2.785,370 5.548,371 3.386,372 2.452,373 3.06,374 0.596,375 7.324,376 2.282,377 3.529,378 2.44,379 5.232,380 3.196,381 2.289,382 2.675,383 0.172,384 6.221,385 2.075,386 3.245,387 2.319,388 5.045,389 2.97,390 2.033,391 2.349,392 0.076,393 6.027,394 1.893,395 3.082,396 2.263,397 4.897,398 2.789,399 1.864,400 2.219,402 5.228,403 1.716,404 2.883,405 1.987,406 4.773,407 2.587,408 1.687,409 2.009,411 4.9,412 1.505,413 2.789,414 1.862,415 4.387,416 2.349,417 1.444,418 1.808,420 4.112,421 1.304,422 2.514,423 1.748,424 4.044,425 2.199,426 1.318,427 1.516,428 3.229,429 1.141,430 2.5,431 1.432,432 3.506,433 1.967,434 1,435 1.5,436 2.315,437 0.965,438 2.13,439 1.256,440 3.414,441 1.952,442 1,443 1.044,445 2.275,446 0.946,447 2.096,448 1.146,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1.13,458 3.282,459 1.793,460 0.866,461 1,463 2.136,464 0.789,465 16.6,466 0.474,467 0.942,468 0.027,469 41.5,470 1.186,471 16.5,472 0.471,473 25,474 0.714,475 37.585,476 1.074,477 39.2,478 0.594,479 32.38,480 0.925,481 7.86,482 0.225,483 9.041,484 0.258,485 0.129,487 0.373,493 0.924,494 1.598,495 0.779,496 1.134,497 0.813,498 1.019,499 1.093,500 0.96,501 0.833,502 0.774,503 0.636,504 0.789,505 1.04,506 1.183,507 1.028,508 1.095,509 0.856,510 1.008,511 1.087,512 0.972,513 1.121,514 1.037,515 1.464,516 1.034,517 0.781,518 1.053,519 1.26,520 1.194,521 0.876,522 0.999,523 0.681,524 1.084,525 1.327,526 1.376,527 0.524,528 1.193,529 0.803,530 1.284,531 0.981,532 1.204,533 0.702,534 1.172,535 0.934,536 0.928,537 0.846,538 0.858,539 0.695,540 0.925,541 7,542 0.188,543 4.444,544 2.451,545 1.925,546 1.844,547 1.061,548 0.5,549 0.517,550 0.319,551 17972,552 47544,553 2.106,554 47,555 3,556 19,558 2,559 4,561 3,564 1.77,565 1.963,566 3.624,567 1.605,573 110.779,574 1.678,575 3.687,576 4.824,577 5.112,578 5.112,579 5.112,580 3.134,581 4.672,582 5.094,583 3.821,584 2273.27,585 8.967,586 34971.9,591 398.93,592 1.438,593 5.057,594 0.179,595 0.005,596 0.079,597 0.042,598 0.036,599 0.032,600 0.019,601 0.01,602 0.011,603 0.008,604 0.422,605 0.17,606 0.63,607 0.841,608 188.37,609 -0.088,610 -0.304,611 0.073,612 -0.058,613 -0.087,614 -0.004,615 -0.021,616 0.185,617 0.124,618 0.224,619 0.076,620 0.174,621 -0.027,622 -0.076,623 0.011,624 -0.03,625 0.069,626 -0.018,627 -0.099,628 0.066,629 -0.061,630 0.04,631 -0.153,632 -0.028,633 0.007,634 0.018,635 -0.028,636 0.046,637 -0.041,638 0.064,639 0.044,640 0.037,641 -0.157,642 -0.17,643 -0.001,644 -0.143,645 -0.01,646 -0.269,647 -0.048,648 -0.194,649 -0.04,650 -0.157,651 -0.054,652 0.014,653 0.061,654 0.031,655 -0.026,656 0.039,657 1.788,658 5.23,659 0.771,660 41.682,661 1.006,662 1.142,663 1.215,664 1.476,665 0.651,666 3.689,667 4.043,668 4.344,669 4.615,670 4.913,671 5.069,672 5.298,673 5.493,674 5.645,675 5.781,676 7.571,677 0.615,678 497.7,679 3.689,680 5.252,681 6.12,682 7.011,683 7.901,684 8.8,685 9.7,686 10.607,687 11.514,688 12.425,689 13.6,690 1,692 1,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 66,733 17,735 39,737 70,738 23,739 10,746 5,747 6,752 2,758 1,761 11,762 12,766 1,771 1,775 1,781 31,782 11,783 4,784 12,785 1,790 9,794 0.8,795 2,806 2,811 1,812 4,815 1,827 1,833 1,836 1,839 1,840 4,842 1,844 2,848 35,849 2,854 9,856 1,858 1,859 3,865 1,870 3,873 1,874 1,877 17.833,878 12.317,879 7.556,880 3.99,881 2.937,882 1.35,883 0.993,884 7.232,885 11.323,886 3.892,887 4.486,888 5.085,889 5.679,890 6.271,891 6.707,892 7.218,893 7.7,894 8.061,895 8.429,896 0.889,897 59,898 12.977,900 5.557,901 7.676,902 25.096,904 20.992,905 2.176,906 76.167,910 317.82,911 112.827,912 142.309,914 36.145,916 31.278,917 81.549,918 353.965,919 142.309,920 17.65,921 59.946,922 32.897,923 131.534,924 35.187,925 6.331,926 325.555,928 317.82,929 223.858,930 36.145,931 31.278,933 284.834,934 60.458,935 11,937 102.859,938 51.529,939 67.142,940 31.278,941 317.82,942 178.454,943 112.827,946 317.82,947 77.081,948 45.118,950 169.081,951 317.82,952 178.454,953 112.827,955 0.591,956 0.347,957 0.179,958 0.103,959 28,960 13,961 0.071,962 5,963 1,964 1.074,965 4.48,966 346.359,967 0.074,968 27,969 167.525,970 1,974 24.411,975 10.369,976 5.153,977 2.046,978 178.454,979 3.33,980 18.135,983 1.755,984 4.902,986 65.794,987 609.101,988 48,993 12.23,997 0.021,999 66.367,1000 75.391,1001 0.278,1002 0.61,1003 0.798,1004 0.846,1005 0.846,1006 0.846,1007 5.165,1008 1.864,1009 6.12,1010 6.027,1011 4.727,1012 5.173,1013 2.499,1014 6.957,1015 4.587,1016 6.363,1017 1.687,1018 7.699,1019 5.228,1020 4.369,1021 5.066,1022 1.803,1023 7.899,1024 4.188,1025 7.676,1026 1.444,1027 9.377,1028 4.9,1029 6.351,1030 7.372,1031 3.185,1032 11.02,1033 6.087,1034 9.025,1035 1.318,1036 11.113,1037 4.112,1038 6.804,1039 8.128,1040 3.237,1041 12.791,1042 6.503,1043 10.411,1044 1,1045 12.886,1046 3.229,1047 8.267,1048 9.946,1049 4.304,1050 15.439,1051 7.889,1052 11.822,1053 1,1054 14.684,1055 2.315,1056 9.088,1057 11.108,1058 4.679,1059 17.568,1060 8.666,1061 13.253,1062 1,1063 16.501,1064 2.275,1065 10.351,1066 12.743,1067 5.575,1068 20.059,1069 9.857,1070 3.306,1071 0.866,1072 18.333,1073 2.275,1074 11.349,1075 14.103,1076 6.099,1077 22.35,1078 10.801,1079 2.924,1080 11.607,1081 20.177,1082 2.136,1083 12.536,1084 15.67,1085 6.899,1086 24.792,1087 11.919,1088 2.828,1089 9.313,1090 22.031,1091 4.689,1092 13.618,1093 17.126,1094 7.498,1095 27.16,1096 12.94,1097 2.726,1098 9.184,1099 23.893,1100 3.805,1101 14.782,1102 18.67,1103 8.246,1104 29.591,1105 14.035,1106 2.452,1107 8.904,1108 25.762,1109 3.401,1110 15.907,1111 20.17,1112 8.884,1113 31.997,1114 15.093,1115 2.289,1116 7.324,1117 27.637,1118 3.231,1119 17.068,1120 21.709,1121 9.604,1122 34.43,1123 16.183,1124 2.033,1125 6.221,1126 29.517,1127 3.06,1128 18.216,1129 23.231,1130 10.263,1131 36.855,1132 17.261,1133 17000,1134 27817,1135 26.065,1136 42.983,1137 59.745,1138 60.861,1139 61.115,1140 59.341,1141 59.293,1142 72.814,1143 10.81,1144 174.402,1145 55.09,1146 5.724,1147 5.814,1148 6.709,1149 5.383,1150 5.306,1151 7.689,1152 3.451,1153 19.156,1154 5.016,1155 18.302,1156 1.532,1157 1.561,1158 1.567,1159 1.522,1160 1.52,1161 1.867,1162 0.277,1163 4.472,1164 1.413,1165 4.111,1166 4.137,1167 4.348,1168 4.084,1169 7.427,1170 4.043,1171 3.865,1172 3.93,1173 3.826,1174 3.682,1175 5.245,1176 3.698,1177 3.81,1178 3.861,1179 3.769,1180 3.647,1181 5.009,1182 3.662,1183 3.738,1184 3.789,1185 3.646,1186 3.529,1187 4.988,1188 3.543,1189 3.59,1190 3.662,1191 3.468,1192 3.388,1193 4.616,1194 3.395,1195 3.355,1196 3.424,1197 3.336,1198 3.154,1199 4.577,1200 3.174,1201 3.136,1202 3.231,1203 3.088,1204 2.948,1205 4.37,1206 2.91,1207 3.111,1208 3.206,1209 2.966,1210 2.941,1211 4.221,1212 2.91,1213 0.121,1214 0.098,1215 0.177,1216 0.109,1217 0.085,1218 4.724,1219 0.12,1220 3.814,1221 0.051,1222 6.907,1223 0.298,1224 4.239,1225 0.079,1226 3.306,1227 4.689,1228 1.984,1229 11.607,1230 3.082,1231 1.895,1232 1.86,1233 1.996,1234 2.06,1235 1.311,1236 2.037,1237 1.809,1238 1.749,1239 1.96,1240 2.03,1241 1.218,1242 2.023,1243 1.709,1244 1.659,1245 1.869,1246 1.932,1247 1.039,1248 1.915,1249 1.643,1250 1.601,1251 1.823,1252 1.826,1253 0.958,1254 1.828,1255 1.563,1256 1.513,1257 1.774,1258 1.779,1259 0.906,1260 1.777,1261 1.47,1262 1.427,1263 1.539,1264 1.609,1265 0.825,1266 1.637,1267 1.153,1268 1.064,1269 1.513,1270 1.388,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.768,1278 1.429,1279 4.369,1281 5.714,1282 2.398,1283 7.252,1284 4.844,1285 8.874,1286 7.034,1287 10.542,1289 3.872,1293 11.465,1295 6.771,1297 5.573,1299 -0.454,1300 6.522,1305 40.604,1306 110.779,1307 243.324,1308 318.401,1309 337.42,1310 337.42,1311 337.42,1312 59.498,1313 8.386,1314 139.62,1315 167.86,1316 29,1317 12.941,1318 4.17,1319 3.322,1320 52.071,1321 159,1322 170,1323 0.161,1324 251.28,1325 425.93,1326 604.884,1327 50932,1329 24.526,1330 0.701,1331 0.598,1332 24.88,1333 20.922,1334 16.902,1335 0.433,1336 0.325,1337 11.724,1338 15.631,1339 11.367,1340 9.319,1341 17.31,1342 12.694,1343 15.616,1344 0.279,1345 0.181,1346 16.231,1347 10.123,1348 13.549,1349 0.178,1350 0.102,1351 14.408,1352 7.789,1353 10.81,1354 0.108,1355 0.058,1356 11.82,1357 5.764,1358 9.279,1359 0.069,1360 0.032,1361 10.237,1362 4.27,1363 0.253,1364 111.135,1365 0.196,1366 32.047,1367 0.446,1368 190,1369 544.472,1370 237.507,1371 541.59,1372 746.72,1373 510,1374 227,1375 537.804,1376 276.884,1377 557.043,1378 826.71,1379 524,1380 8.678}
{0 CHEMBL1922092,1 1.659,2 13.083,3 1.249,4 1.559,5 141.407,6 7.416,7 0.4,8 4.342,9 4.48,10 3.938,11 3.818,12 5.385,13 3.792,14 4.926,15 5.133,16 4.358,17 4.249,18 5.922,19 4.201,20 5.165,21 5.371,22 4.47,23 4.43,24 6.209,25 4.351,26 5.314,27 5.566,28 4.388,29 4.483,30 6.257,31 4.355,32 5.212,33 5.438,34 4.415,35 4.51,36 6.106,37 4.375,38 5.283,39 5.518,40 4.409,41 4.534,42 6.15,43 4.393,44 5.289,45 5.547,46 4.308,47 4.434,48 6.138,49 4.306,50 5.238,51 5.516,52 4.206,53 4.32,54 6.092,55 4.198,56 0.06,57 1.125,58 15.809,59 5.796,60 13.739,61 8.213,62 0.507,63 1.788,64 32.433,65 9.959,66 39.39,67 14.165,68 0.59,69 2.18,70 43.901,71 12.29,72 59.272,73 18.353,74 0.802,75 2.256,76 53.487,77 15.949,78 89.468,79 22.234,80 0.545,81 2.24,82 50.875,83 16.423,84 52.82,85 21.907,86 0.587,87 2.357,88 53.988,89 17.055,90 46.978,91 23.42,92 0.52,93 2.204,94 49.733,95 14.607,96 51.828,97 22.328,98 0.617,99 2.01,100 46.999,101 12.777,102 56.177,103 19.966,104 39,105 59,106 0.261,107 0.574,108 0.748,109 0.792,110 0.792,111 0.792,112 3.616,113 0.977,114 -2.66,115 -2.67,116 -2.6,119 34.8,120 3,125 9,130 1,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 2,164 2,165 2,172 1,174 4,175 5,177 2,178 2,180 2,183 2,185 2,186 2,187 10,189 2,190 2,195 1,198 5,199 4,204 1,207 1,209 1,211 3,212 2,220 2,223 4,224 7,226 3,227 3,236 1,237 8,249 1,250 3,252 1,253 1,255 1,260 1,262 7,263 1,268 4,271 4,273 4,275 2378,276 23.85,277 23.85,278 23.85,279 23.85,280 23.85,281 21.895,282 31.177,283 13.695,284 24.756,285 19.726,286 19.726,287 19.726,288 19.726,289 19.726,290 16.607,291 40.811,292 6.547,293 21.213,294 4.45,295 2.462,296 1.352,297 1.076,298 1.076,299 1.076,300 4.318,306 1022,307 3.937,310 83.128,311 448.819,314 155.069,318 2.037,319 36.589,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 78.5,331 471,332 4.724,333 4.045,334 7.182,335 4.331,336 3.349,337 4.689,338 1.984,339 11.845,340 3.284,341 4.443,342 3.423,343 6.907,344 4.239,345 3.306,346 3.805,347 0.916,348 11.607,349 3.082,350 4.188,351 3.091,352 6.256,353 3.787,354 2.839,355 3.585,356 0.86,357 9.305,358 2.698,359 3.974,360 2.883,361 6.103,362 3.668,363 2.731,364 3.401,365 0.8,366 8.904,367 2.55,368 3.667,369 2.815,370 5.639,371 3.499,372 2.571,373 3.06,374 0.596,375 7.601,376 2.383,377 3.603,378 2.65,379 5.487,380 3.213,381 2.304,382 2.699,383 0.172,384 6.987,385 2.093,386 3.35,387 2.423,388 5.169,389 3.115,390 2.189,391 2.48,392 0.076,393 6.138,394 2.019,395 3.141,396 2.313,397 5.045,398 2.904,399 1.976,400 2.224,402 5.963,403 1.824,404 3.042,405 2.158,406 4.851,407 2.62,408 1.72,409 2.148,411 5.131,412 1.532,413 2.85,414 1.962,415 4.387,416 2.35,417 1.445,418 1.973,420 4.115,421 1.305,422 2.517,423 1.749,424 4.048,425 2.204,426 1.321,427 1.519,428 3.233,429 1.147,430 2.5,431 1.432,432 3.852,433 1.967,434 1,435 1.5,436 2.374,437 0.965,438 2.307,439 1.256,440 3.502,441 1.952,442 1,443 1.117,445 2.275,446 0.946,447 2.108,448 1.146,449 3.414,450 1.922,451 1,452 1.026,454 2.275,455 0.916,456 2,457 1.13,458 3.414,459 1.917,460 0.907,461 1,463 2.217,464 0.905,465 17.1,466 0.475,467 1.141,468 0.032,469 42,470 1.167,471 16.5,472 0.458,473 25.5,474 0.708,475 40.75,476 1.132,477 40.5,478 0.587,479 33.205,480 0.922,481 7.823,482 0.217,483 9.38,484 0.261,485 0.154,486 0.029,487 0.333,493 0.919,494 1.596,495 0.792,496 1.145,497 0.833,498 1.035,499 1.068,500 0.963,501 0.799,502 0.76,503 0.605,504 0.761,505 1.058,506 1.274,507 1.081,508 1.189,509 0.911,510 1.108,511 1.18,512 0.868,513 1.066,514 0.915,515 1.638,516 0.927,517 0.788,518 1.103,519 1.29,520 1.247,521 0.888,522 1.061,523 0.641,524 1.097,525 1.277,526 1.359,527 0.502,528 1.19,529 0.808,530 1.197,531 0.937,532 1.11,533 0.677,534 1.082,535 0.952,536 0.96,537 0.87,538 0.89,539 0.712,540 0.954,541 8.5,542 0.242,543 4.889,544 2.701,545 2.085,546 1.872,547 1.141,548 0.531,549 0.567,550 0.369,551 19377,552 49841,553 2.079,554 47.8,555 3,556 18,558 2,559 4,561 6,564 1.777,565 1.92,566 3.633,567 1.578,573 114.455,574 1.659,575 3.646,576 4.757,577 5.032,578 5.032,579 5.032,580 3.14,581 4.538,582 5.136,583 3.855,584 2428.91,585 9.046,586 38275.1,591 421.488,592 1.614,593 5.084,594 0.213,595 0.006,596 0.083,597 0.044,598 0.037,599 0.032,600 0.02,601 0.01,602 0.012,603 0.008,604 0.466,605 0.17,606 0.63,607 0.862,608 195.708,609 -0.079,610 -0.294,611 0.074,612 -0.057,613 -0.1,614 -0.004,615 0.007,616 0.186,617 0.164,618 0.247,619 0.111,620 0.212,621 -0.034,622 -0.137,623 -0.05,624 -0.122,625 0.054,626 -0.115,627 -0.109,628 0.125,629 -0.003,630 0.128,631 -0.166,632 0.067,633 -0.003,634 -0.004,635 -0.069,637 -0.054,638 0.005,639 0.067,640 -0.002,641 -0.126,642 -0.172,643 0.013,644 -0.138,645 -0.001,646 -0.208,647 0.005,648 -0.119,649 -0.019,650 -0.075,651 -0.061,652 0.003,653 0.036,654 0.007,655 -0.034,656 0.007,657 2.091,658 5.551,659 0.75,660 43.84,661 1.004,662 1.142,663 1.426,664 2.034,665 0.648,666 3.714,667 4.094,668 4.369,669 4.635,670 4.927,671 5.081,672 5.318,673 5.509,674 5.659,675 5.799,676 7.768,677 0.611,678 511.73,679 3.714,680 5.293,681 6.159,682 7.06,683 7.948,684 8.855,685 9.752,686 10.664,687 11.568,688 12.483,689 13,690 1,692 1,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 69,733 17,735 40,737 73,738 24,739 10,746 5,747 6,752 3,761 11,762 13,763 1,766 1,771 1,775 1,781 33,782 11,783 4,784 12,785 1,790 9,794 0.8,795 2,806 2,811 1,812 4,815 1,827 1,833 1,836 1,839 1,840 4,842 1,844 3,848 36,849 2,854 9,856 1,859 3,860 1,865 1,870 2.9,873 1,874 1,877 18.75,878 13.233,879 7.611,880 4.108,881 2.928,882 1.347,883 0.979,884 7.208,885 11.375,886 3.912,887 4.519,888 5.104,889 5.685,890 6.275,891 6.709,892 7.221,893 7.702,894 8.063,895 8.431,896 0.889,897 61,898 13.363,900 5.748,901 7.669,902 25.832,904 21.681,905 2.169,906 78.083,910 341.362,911 121.652,912 142.309,914 36.145,916 31.278,917 90.374,918 377.507,919 142.309,920 26.476,921 59.946,922 32.897,923 131.534,924 35.187,925 6.331,926 349.097,928 341.362,929 232.684,930 36.145,931 31.278,933 273.063,934 95.772,935 11,937 111.684,938 51.529,939 67.142,940 31.278,941 341.362,942 178.454,943 121.652,946 341.362,947 77.081,948 53.943,950 169.081,951 341.362,952 178.454,953 121.652,955 0.599,956 0.344,957 0.174,958 0.1,959 30,960 14,961 0.068,962 5,963 1,964 1.074,965 4.515,966 360.64,967 0.074,968 27,969 172.117,970 1,974 25.367,975 10.23,976 5.389,977 2.042,978 178.454,979 3.331,980 18.158,983 1.755,984 4.892,986 65.794,987 641.468,988 49,993 12.551,997 0.004,999 69.25,1000 78.806,1001 0.272,1002 0.597,1003 0.779,1004 0.824,1005 0.824,1006 0.824,1007 5.204,1008 1.976,1009 6.192,1010 6.138,1011 4.779,1012 5.207,1013 2.499,1014 7.062,1015 4.644,1016 6.425,1017 1.72,1018 7.798,1019 5.963,1020 4.575,1021 5.173,1022 1.803,1023 8.194,1024 4.415,1025 7.758,1026 1.445,1027 9.51,1028 5.131,1029 6.472,1030 7.42,1031 3.185,1032 11.256,1033 6.231,1034 9.126,1035 1.321,1036 11.285,1037 4.115,1038 7.057,1039 8.21,1040 3.237,1041 13.181,1042 6.807,1043 10.528,1044 1,1045 13.1,1046 3.233,1047 8.484,1048 9.999,1049 4.304,1050 15.826,1051 8.165,1052 11.955,1053 1,1054 14.944,1055 2.374,1056 9.405,1057 11.171,1058 4.679,1059 18.063,1060 9.074,1061 13.4,1062 1,1063 16.809,1064 2.275,1065 10.667,1066 12.79,1067 5.575,1068 20.579,1069 10.283,1070 3.349,1071 0.907,1072 18.69,1073 2.275,1074 11.738,1075 14.149,1076 6.099,1077 22.944,1078 11.335,1079 3.306,1080 11.845,1081 20.584,1082 2.217,1083 12.944,1084 15.706,1085 6.899,1086 25.418,1087 12.499,1088 2.839,1089 11.607,1090 22.488,1091 4.689,1092 14.081,1093 17.157,1094 7.498,1095 27.837,1096 13.612,1097 2.731,1098 9.305,1099 24.401,1100 3.805,1101 15.271,1102 18.695,1103 8.246,1104 30.299,1105 14.767,1106 2.571,1107 8.904,1108 26.321,1109 3.585,1110 16.439,1111 20.191,1112 8.884,1113 32.741,1114 15.908,1115 2.304,1116 7.601,1117 28.247,1118 3.401,1119 17.628,1120 21.726,1121 9.604,1122 35.201,1123 17.066,1124 2.189,1125 6.987,1126 30.178,1127 3.06,1128 18.81,1129 23.245,1130 10.263,1131 37.654,1132 18.22,1133 18378,1134 29667,1135 26.353,1136 44.745,1137 62.003,1138 62.956,1139 62.95,1140 61.378,1141 61.366,1142 74.9,1143 10.81,1144 185.261,1145 57.146,1146 5.724,1147 6.045,1148 6.984,1149 5.475,1150 5.349,1151 7.689,1152 3.451,1153 19.394,1154 5.217,1155 20.352,1156 1.55,1157 1.574,1158 1.574,1159 1.534,1160 1.534,1161 1.872,1162 0.27,1163 4.632,1164 1.429,1165 4.112,1166 4.137,1167 4.348,1168 4.084,1169 7.427,1170 4.043,1171 3.878,1172 3.94,1173 3.826,1174 3.686,1175 5.245,1176 3.705,1177 3.813,1178 3.863,1179 3.792,1180 3.673,1181 5.012,1182 3.684,1183 3.742,1184 3.795,1185 3.648,1186 3.533,1187 4.996,1188 3.548,1189 3.647,1190 3.716,1191 3.524,1192 3.466,1193 4.616,1194 3.468,1195 3.36,1196 3.428,1197 3.343,1198 3.158,1199 4.577,1200 3.179,1201 3.148,1202 3.239,1203 3.091,1204 2.951,1205 4.371,1206 2.917,1207 3.111,1208 3.206,1209 2.997,1210 2.941,1211 4.222,1212 2.91,1213 0.118,1214 0.101,1215 0.18,1216 0.108,1217 0.084,1218 4.724,1219 0.117,1220 4.045,1221 0.05,1222 7.182,1223 0.296,1224 4.331,1225 0.082,1226 3.349,1227 4.689,1228 1.984,1229 11.845,1230 3.284,1231 1.895,1232 1.86,1233 2.003,1234 2.06,1235 1.312,1236 2.038,1237 1.819,1238 1.762,1239 1.962,1240 2.037,1241 1.218,1242 2.028,1243 1.709,1244 1.659,1245 1.889,1246 1.933,1247 1.06,1248 1.915,1249 1.677,1250 1.633,1251 1.863,1252 1.865,1253 1.015,1254 1.875,1255 1.599,1256 1.543,1257 1.779,1258 1.792,1259 0.916,1260 1.786,1261 1.484,1262 1.454,1263 1.539,1264 1.614,1265 0.825,1266 1.641,1267 1.153,1268 1.064,1269 1.513,1270 1.393,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.769,1278 1.429,1279 4.394,1281 5.759,1282 2.398,1283 7.311,1284 4.844,1285 8.943,1286 7.034,1287 10.618,1289 5.657,1293 11.715,1295 6.707,1297 5.579,1300 6.534,1301 -0.841,1305 42.131,1306 114.455,1307 251.596,1308 328.204,1309 347.224,1310 347.224,1311 347.224,1312 65.572,1313 8.447,1314 139.62,1315 167.86,1316 29,1317 12.997,1318 4.17,1319 3.322,1320 54.362,1321 169,1322 162,1323 0.159,1324 260.873,1325 443.23,1326 628.289,1327 55055,1329 25.449,1330 0.707,1331 0.607,1332 25.803,1333 21.845,1334 17.203,1335 0.43,1336 0.326,1337 12.065,1338 15.938,1339 11.62,1340 9.564,1341 17.611,1342 13.033,1343 16.667,1344 0.282,1345 0.187,1346 17.283,1347 11.023,1348 13.827,1349 0.177,1350 0.102,1351 14.686,1352 7.927,1353 10.947,1354 0.107,1355 0.058,1356 11.957,1357 5.866,1358 9.379,1359 0.068,1360 0.032,1361 10.337,1362 4.347,1363 0.25,1364 112.901,1365 0.195,1366 32.805,1367 0.437,1368 198,1369 552.472,1370 245.84,1371 551.674,1372 760.28,1373 518,1374 236,1375 550.016,1376 286.549,1377 572.503,1378 847.26,1379 536,1380 9}
{0 CHEMBL1922093,1 1.737,2 12.853,3 0.956,4 0.914,5 130.693,6 7.817,7 0.421,8 4.253,9 4.378,10 3.893,11 3.726,12 5.33,13 3.715,14 4.83,15 5.024,16 4.287,17 4.146,18 5.867,19 4.108,20 5.039,21 5.241,22 4.397,23 4.315,24 6.097,25 4.245,26 5.125,27 5.349,28 4.324,29 4.379,30 6.086,31 4.258,32 5.139,33 5.372,34 4.351,35 4.39,36 6.061,37 4.264,38 5.07,39 5.265,40 4.36,41 4.391,42 6.041,43 4.284,44 5.11,45 5.323,46 4.273,47 4.345,48 6.045,49 4.239,50 5.203,51 5.486,52 4.167,53 4.249,54 6.07,55 4.134,56 0.111,57 1.017,58 13.226,59 5.248,60 12.808,61 6.933,62 0.593,63 1.614,64 28.289,65 8.846,66 38.792,67 11.834,68 0.75,69 1.929,70 38.439,71 10.902,72 63.956,73 15.556,74 0.62,75 2.013,76 42.103,77 14.117,78 63.255,79 18.726,80 0.729,81 1.992,82 49.275,83 15.267,84 62.963,85 19.621,86 0.657,87 2.019,88 43.162,89 13.775,90 42.759,91 17.534,92 0.455,93 1.995,94 38.493,95 12.687,96 42.469,97 18.249,98 0.787,99 1.908,100 46.325,101 12.386,102 64.42,103 18.913,104 19,105 54,106 0.279,107 0.6,108 0.76,109 0.809,110 0.809,111 0.809,112 3.561,113 0.96,114 -2.23,115 -2.27,116 -2.24,119 35.5,120 1,125 10,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,172 1,174 4,175 5,177 2,178 2,183 1,186 2,187 6,190 2,195 1,198 5,199 4,204 1,207 1,209 1,211 3,212 2,220 2,223 4,224 5,226 2,227 3,236 1,237 8,249 1,250 3,252 1,253 1,255 1,260 1,262 7,263 1,268 4,273 2,275 2076,276 23.248,277 23.248,278 23.248,279 23.248,280 23.248,281 21.254,282 29.217,283 13.556,284 24.144,285 18.686,286 18.686,287 18.686,288 18.686,289 18.686,290 15.506,291 36.378,292 6.396,293 20.166,294 4.217,295 2.219,296 1.222,297 0.915,298 0.915,299 0.915,300 4.268,305 1,306 956,307 3.24,310 76.212,311 413.109,314 141.791,318 1.929,319 36.793,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 75,331 437,332 4.724,333 3.728,334 6.907,335 4.239,336 3.306,337 4.689,338 2.035,339 11.607,340 3.082,341 4.189,342 3.423,343 6.256,344 3.802,345 2.857,346 3.805,347 0.916,348 9.306,349 2.705,350 3.982,351 3.085,352 6.103,353 3.746,354 2.791,355 3.401,356 0.86,357 8.904,358 2.659,359 3.942,360 2.851,361 6.021,362 3.658,363 2.721,364 3.102,365 0.8,366 8.542,367 2.541,368 3.664,369 2.78,370 5.537,371 3.329,372 2.398,373 3.06,374 0.642,375 7.268,376 2.227,377 3.503,378 2.435,379 5.2,380 3.19,381 2.281,382 2.667,383 0.172,384 6.178,385 2.07,386 3.219,387 2.316,388 5.045,389 2.938,390 2.004,391 2.312,392 0.129,393 6.003,394 1.861,395 3.073,396 2.223,397 4.857,398 2.657,399 1.749,400 2.218,402 5.147,403 1.573,404 2.86,405 1.971,406 4.388,407 2.381,408 1.45,409 1.995,411 4.119,412 1.342,413 2.582,414 1.75,415 4.125,416 2.339,417 1.419,418 1.556,420 3.515,421 1.294,422 2.505,423 1.432,424 4.032,425 2.188,426 1.305,427 1.5,428 3.217,429 1.131,430 2.5,431 1.425,432 3.503,433 1.967,434 1,435 1.496,436 2.306,437 0.965,438 2.109,439 1.256,440 3.414,441 1.952,442 1,443 1.038,445 2.275,446 0.946,447 2,448 1.146,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1.13,458 3.247,459 1.755,460 0.858,461 1,463 2.136,464 0.762,465 16.033,466 0.472,467 0.815,468 0.024,469 41,470 1.206,471 16.5,472 0.485,473 24.5,474 0.721,475 34.74,476 1.022,477 37.967,478 0.612,479 31.834,480 0.936,481 7.954,482 0.234,483 8.575,484 0.252,485 0.098,487 0.356,493 0.918,494 1.61,495 0.753,496 1.13,497 0.786,498 1.003,499 1.102,500 0.925,501 0.854,502 0.747,503 0.698,504 0.776,505 0.911,506 1.174,507 1.025,508 1.069,509 0.694,510 0.993,511 0.806,512 1.047,513 1.105,514 1.137,515 0.97,516 1.114,517 0.843,518 0.979,519 1.23,520 1.119,521 0.932,522 0.916,523 0.793,524 1.099,525 1.427,526 1.406,527 0.663,528 1.212,529 0.724,530 1.433,531 1.042,532 1.344,533 0.649,534 1.315,535 0.875,536 0.89,537 0.818,538 0.812,539 0.657,540 0.888,541 6.5,542 0.152,543 4.222,544 2.201,545 1.765,546 1.817,547 0.98,548 0.5,549 0.493,550 0.299,551 16571,552 47653,553 2.127,554 45.2,555 3,556 20,558 2,559 3,564 1.764,565 2,566 3.597,567 0.928,573 107.692,574 1.737,575 3.736,576 4.732,577 5.039,578 5.039,579 5.039,580 3.114,581 4.558,582 5.051,583 3.774,584 2117.35,585 8.887,586 31733.7,591 369.16,592 1.379,593 5.023,594 0.171,595 0.005,596 0.078,597 0.039,598 0.034,599 0.033,600 0.018,601 0.01,602 0.011,603 0.007,604 0.406,605 0.33,606 0.63,607 0.812,608 180.956,609 -0.102,610 -0.343,611 0.068,612 -0.068,613 -0.072,614 -0.013,615 -0.078,616 0.217,617 0.088,618 0.238,619 0.019,620 0.168,621 0.01,622 -0.065,623 0.002,624 -0.001,625 0.108,626 -0.007,627 -0.03,628 0.012,629 -0.064,630 -0.041,631 -0.077,632 -0.089,633 -0.008,634 0.048,635 0.018,636 0.112,637 -0.048,638 0.146,639 -0.015,640 0.063,641 -0.236,642 -0.171,643 -0.05,644 -0.176,645 -0.022,646 -0.368,647 -0.136,648 -0.317,649 -0.061,650 -0.296,651 -0.049,652 0.034,653 0.095,654 0.067,655 -0.019,656 0.085,657 1.931,658 4.774,659 0.794,660 39.709,661 1.011,662 1.14,663 1,664 1,665 0.656,666 3.664,667 4.007,668 4.317,669 4.595,670 4.898,671 5.056,672 5.278,673 5.476,674 5.631,675 5.762,676 7.337,677 0.625,678 484.65,679 3.664,680 5.22,681 6.089,682 6.978,683 7.868,684 8.768,685 9.668,686 10.575,687 11.483,688 12.395,689 12.9,692 1,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 62,733 17,735 38,737 66,738 22,739 10,746 5,747 6,752 2,761 11,762 11,766 1,771 1,775 1,781 28,782 11,783 3,784 12,785 1,790 8,794 0.8,795 3,796 1,806 2,811 1,812 4,815 1,827 1,836 1,838 1,839 1,840 4,842 1,844 1,848 34,849 1,853 1,854 10,856 1,859 3,865 1,870 4.8,871 1,873 1,874 1,877 17,878 11.35,879 7.444,880 3.687,881 2.947,882 1.354,883 0.98,884 6.996,885 11.269,886 3.871,887 4.463,888 5.067,889 5.672,890 6.267,891 6.704,892 7.215,893 7.698,894 8.059,895 8.426,896 0.889,897 57,898 12.601,900 5.405,901 7.745,902 24.248,904 20.242,905 2.245,906 76.333,910 294.278,911 104.001,912 109.412,914 78.828,916 31.278,917 72.724,918 373.106,919 109.412,920 8.825,921 27.049,922 75.581,923 131.534,924 35.187,925 6.331,926 302.013,928 294.278,929 182.136,930 78.828,931 31.278,933 296.605,934 25.145,935 53.683,937 61.137,938 51.529,939 67.142,940 31.278,941 294.278,942 188.24,943 104.001,946 294.278,947 77.081,948 36.293,950 178.867,951 294.278,952 188.24,953 104.001,955 0.584,956 0.348,957 0.182,958 0.105,959 27,960 12,961 0.076,962 5,963 1,964 1.074,965 4.425,966 333.504,967 0.074,968 27,969 160.974,970 1,974 23.456,975 10.14,976 4.93,977 2.015,978 188.24,979 3.31,980 18.069,983 1.735,984 4.82,986 75.581,987 586.519,988 47,993 11.774,997 -0.206,999 62.709,1000 70.687,1001 0.292,1002 0.627,1003 0.795,1004 0.846,1005 0.846,1006 0.846,1007 5.136,1008 1.749,1009 6.08,1010 6.003,1011 4.691,1012 5.15,1013 2.55,1014 6.913,1015 4.545,1016 6.33,1017 1.45,1018 7.653,1019 5.147,1020 4.29,1021 5.027,1022 1.803,1023 7.844,1024 4.103,1025 7.642,1026 1.419,1027 9.325,1028 4.119,1029 6.308,1030 7.354,1031 3.299,1032 10.966,1033 6.032,1034 8.99,1035 1.305,1036 11.056,1037 3.515,1038 6.735,1039 8.104,1040 3.314,1041 12.737,1042 6.416,1043 10.375,1044 1,1045 12.824,1046 3.217,1047 8.215,1048 9.931,1049 4.475,1050 15.384,1051 7.815,1052 11.786,1053 1,1054 14.619,1055 2.306,1056 9.023,1057 11.093,1058 4.826,1059 17.516,1060 8.572,1061 13.217,1062 1,1063 16.433,1064 2.275,1065 10.294,1066 12.732,1067 5.796,1068 20.008,1069 9.769,1070 3.306,1071 0.858,1072 18.263,1073 2.275,1074 11.285,1075 14.094,1076 6.308,1077 22.305,1078 10.7,1079 2.857,1080 11.607,1081 20.105,1082 2.136,1083 12.476,1084 15.663,1085 7.167,1086 24.751,1087 11.82,1088 2.791,1089 9.306,1090 21.958,1091 4.689,1092 13.556,1093 17.12,1094 7.765,1095 27.124,1096 12.834,1097 2.721,1098 8.904,1099 23.819,1100 3.805,1101 14.723,1102 18.666,1103 8.56,1104 29.56,1105 13.93,1106 2.398,1107 8.542,1108 25.687,1109 3.401,1110 15.849,1111 20.167,1112 9.206,1113 31.97,1114 14.986,1115 2.281,1116 7.268,1117 27.562,1118 3.102,1119 17.012,1120 21.707,1121 9.966,1122 34.408,1123 16.078,1124 2.004,1125 6.178,1126 29.444,1127 3.06,1128 18.162,1129 23.23,1130 10.639,1131 36.836,1132 17.156,1133 15630,1134 26633,1135 25.66,1136 40.671,1137 57.424,1138 59.02,1139 59.395,1140 57.152,1141 57.159,1142 70.666,1143 11.11,1144 167.365,1145 52.932,1146 5.724,1147 5.728,1148 6.709,1149 5.383,1150 5.306,1151 7.689,1152 3.579,1153 19.156,1154 5.015,1155 16.034,1156 1.511,1157 1.553,1158 1.563,1159 1.504,1160 1.504,1161 1.86,1162 0.292,1163 4.404,1164 1.393,1165 4.111,1166 4.136,1167 4.347,1168 4.084,1169 7.429,1170 4.042,1171 3.854,1172 3.919,1173 3.826,1174 3.681,1175 6.45,1176 3.696,1177 3.806,1178 3.858,1179 3.751,1180 3.627,1181 5.244,1182 3.644,1183 3.735,1184 3.785,1185 3.645,1186 3.527,1187 5.007,1188 3.541,1189 3.487,1190 3.53,1191 3.403,1192 3.238,1193 4.616,1194 3.27,1195 3.335,1196 3.398,1197 3.31,1198 3.126,1199 4.577,1200 3.147,1201 3.111,1202 3.206,1203 3.085,1204 2.941,1205 4.372,1206 2.91,1207 3.111,1208 3.206,1209 2.9,1210 2.941,1211 4.222,1212 2.91,1213 0.124,1214 0.098,1215 0.182,1216 0.112,1217 0.087,1218 4.724,1219 0.123,1220 3.728,1221 0.054,1222 6.907,1223 0.305,1224 4.239,1225 0.081,1226 3.306,1227 4.689,1228 2.035,1229 11.607,1230 3.082,1231 1.895,1232 1.86,1233 1.991,1234 2.06,1235 1.309,1236 2.036,1237 1.801,1238 1.741,1239 1.959,1240 2.023,1241 1.218,1242 2.017,1243 1.709,1244 1.659,1245 1.867,1246 1.932,1247 1.034,1248 1.915,1249 1.629,1250 1.586,1251 1.784,1252 1.804,1253 0.923,1254 1.797,1255 1.51,1256 1.487,1257 1.603,1258 1.695,1259 0.825,1260 1.684,1261 1.34,1262 1.3,1263 1.523,1264 1.574,1265 0.825,1266 1.588,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.773,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.689,1278 1.429,1279 4.344,1281 5.68,1282 2.398,1283 7.216,1284 4.844,1285 8.837,1286 7.034,1287 10.505,1289 2.11,1293 5.669,1294 9.115,1295 6.044,1297 5.558,1300 6.32,1305 38.771,1306 107.692,1307 231.608,1308 293.386,1309 312.405,1310 312.405,1311 312.405,1312 56.467,1313 8.321,1314 133.83,1315 162.07,1316 29,1317 12.91,1318 4.17,1319 3.322,1320 49.82,1321 149,1322 178,1323 0.165,1324 238.89,1325 406.42,1326 574.651,1327 46811,1329 23.656,1330 0.696,1331 0.586,1332 24.01,1333 19.922,1334 16.529,1335 0.435,1336 0.32,1337 11.184,1338 15.212,1339 10.891,1340 8.882,1341 16.937,1342 12.164,1343 14.898,1344 0.276,1345 0.177,1346 15.514,1347 9.548,1348 13.202,1349 0.178,1350 0.102,1351 14.062,1352 7.576,1353 10.642,1354 0.109,1355 0.057,1356 11.652,1357 5.605,1358 9.154,1359 0.069,1360 0.031,1361 10.113,1362 4.15,1363 0.257,1364 109.318,1365 0.197,1366 31.253,1367 0.458,1368 184,1369 561.309,1370 231.919,1371 551.573,1372 754.08,1373 520,1374 220,1375 532.686,1376 269.964,1377 550.898,1378 817.94,1379 518,1380 8.553}
{0 CHEMBL1922094,1 1.715,2 12.971,3 1.333,4 1.778,5 135.112,6 7.672,7 0.41,8 4.293,9 4.42,10 3.917,11 3.768,12 5.358,13 3.751,14 4.874,15 5.071,16 4.32,17 4.188,18 5.906,19 4.148,20 5.099,21 5.301,22 4.433,23 4.354,24 6.174,25 4.285,26 5.182,27 5.409,28 4.357,29 4.415,30 6.156,31 4.297,32 5.173,33 5.399,34 4.385,35 4.444,36 6.096,37 4.316,38 5.169,39 5.379,40 4.385,41 4.456,42 6.102,43 4.334,44 5.191,45 5.425,46 4.291,47 4.384,48 6.089,49 4.269,50 5.22,51 5.498,52 4.188,53 4.28,54 6.087,55 4.164,56 0.097,57 1.055,58 14.237,59 5.568,60 13.534,61 7.477,62 0.564,63 1.676,64 29.998,65 9.408,66 39.239,67 12.792,68 0.775,69 2.007,70 41.278,71 11.562,72 70.979,73 16.605,74 0.696,75 2.092,76 45.3,77 14.542,78 73.931,79 19.472,80 0.681,81 2.09,82 49.937,83 15.901,84 60.814,85 20.527,86 0.67,87 2.162,88 47.985,89 15.296,90 46.705,91 20.064,92 0.506,93 2.091,94 43.509,95 13.57,96 46.97,97 20.041,98 0.74,99 1.958,100 46.612,101 12.624,102 62.249,103 19.334,104 28,105 56,106 0.273,107 0.592,108 0.766,109 0.812,110 0.812,111 0.812,112 3.589,113 0.971,114 -2.44,115 -2.47,116 -2.42,119 35.4,120 2,125 9,127 1,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,172 1,174 4,175 5,177 2,178 2,180 1,183 1,186 2,187 8,190 2,195 1,198 5,199 4,204 1,207 1,209 1,211 3,212 2,220 2,223 4,224 6,226 2,227 3,236 1,237 8,249 1,250 3,252 1,253 1,255 1,260 1,262 7,263 1,268 4,271 2,273 2,275 2235,276 23.585,277 23.585,278 23.585,279 23.585,280 23.585,281 21.616,282 30.022,283 13.697,284 24.516,285 19.222,286 19.222,287 19.222,288 19.222,289 19.222,290 16.077,291 37.777,292 6.528,293 20.742,294 4.308,295 2.302,296 1.208,297 0.916,298 0.916,299 0.916,300 4.294,305 1,306 989,307 3.536,310 79.67,311 430.964,314 148.43,318 1.976,319 38.518,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 77,331 454,332 4.724,333 3.833,334 6.907,335 4.239,336 3.306,337 4.689,338 2.035,339 11.607,340 3.082,341 4.189,342 3.423,343 6.285,344 3.882,345 2.924,346 3.805,347 0.916,348 9.313,349 2.795,350 4.068,351 3.086,352 6.254,353 3.78,354 2.828,355 3.401,356 0.86,357 9.184,358 2.696,359 3.971,360 2.854,361 6.103,362 3.663,363 2.726,364 3.231,365 0.8,366 8.904,367 2.545,368 3.665,369 2.787,370 5.548,371 3.383,372 2.452,373 3.06,374 0.642,375 7.324,376 2.276,377 3.529,378 2.444,379 5.232,380 3.196,381 2.289,382 2.675,383 0.172,384 6.221,385 2.074,386 3.245,387 2.326,388 5.045,389 2.968,390 2.033,391 2.349,392 0.129,393 6.027,394 1.888,395 3.082,396 2.292,397 4.897,398 2.78,399 1.864,400 2.219,402 5.228,403 1.699,404 2.883,405 2.038,406 4.773,407 2.584,408 1.687,409 2.009,411 4.9,412 1.5,413 2.789,414 1.942,415 4.387,416 2.349,417 1.444,418 1.808,420 4.112,421 1.304,422 2.514,423 1.749,424 4.044,425 2.199,426 1.318,427 1.516,428 3.229,429 1.14,430 2.5,431 1.432,432 3.506,433 1.967,434 1,435 1.5,436 2.315,437 0.965,438 2.13,439 1.256,440 3.414,441 1.952,442 1,443 1.044,445 2.275,446 0.946,447 2.096,448 1.146,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1.13,458 3.282,459 1.787,460 0.866,461 1,463 2.136,464 0.785,465 16.533,466 0.472,467 0.942,468 0.027,469 41.5,470 1.186,471 16.5,472 0.471,473 25,474 0.714,475 37.385,476 1.068,477 39.267,478 0.604,479 32.58,480 0.931,481 7.894,482 0.226,483 9.007,484 0.257,485 0.125,487 0.375,493 0.913,494 1.608,495 0.766,496 1.142,497 0.806,498 1.02,499 1.071,500 0.946,501 0.834,502 0.774,503 0.666,504 0.785,505 1.016,506 1.193,507 1.031,508 1.074,509 0.848,510 0.997,511 0.96,512 0.991,513 1.117,514 1.064,515 1.213,516 1.057,517 0.849,518 1.033,519 1.261,520 1.176,521 0.943,522 0.983,523 0.737,524 1.11,525 1.358,526 1.381,527 0.625,528 1.206,529 0.725,530 1.324,531 0.988,532 1.229,533 0.622,534 1.202,535 0.893,536 0.923,537 0.842,538 0.845,539 0.674,540 0.918,541 7,542 0.188,543 4.444,544 2.451,545 1.925,546 1.844,547 1.061,548 0.5,549 0.517,550 0.319,551 17972,552 49952,553 2.106,554 46.2,555 3,556 19,558 2,559 3,561 3,564 1.77,565 1.963,566 3.624,567 0.905,573 111.45,574 1.715,575 3.721,576 4.814,577 5.107,578 5.107,579 5.107,580 3.134,581 4.672,582 5.094,583 3.821,584 2273.27,585 8.967,586 34971.9,591 391.454,592 1.438,593 5.057,594 0.179,595 0.005,596 0.079,597 0.042,598 0.036,599 0.032,600 0.019,601 0.01,602 0.011,603 0.008,604 0.422,605 0.33,606 0.63,607 0.841,608 188.37,609 -0.092,610 -0.332,611 0.069,612 -0.067,613 -0.086,614 -0.013,615 -0.044,616 0.2,617 0.114,618 0.219,619 0.052,620 0.17,621 -0.003,622 -0.092,623 0.005,624 -0.012,625 0.094,626 -0.013,627 -0.08,628 0.063,629 -0.067,630 0.015,631 -0.123,632 -0.047,633 -0.018,634 0.022,635 -0.028,636 0.06,637 -0.059,638 0.077,639 0.019,640 0.017,641 -0.187,642 -0.171,643 -0.028,644 -0.162,645 -0.009,646 -0.291,647 -0.065,648 -0.22,649 -0.037,650 -0.186,651 -0.057,652 0.022,653 0.066,654 0.04,655 -0.027,656 0.049,657 2.288,658 5.105,659 0.771,660 41.682,661 1.009,662 1.14,663 1.215,664 1.476,665 0.653,666 3.689,667 4.043,668 4.344,669 4.615,670 4.913,671 5.069,672 5.298,673 5.493,674 5.645,675 5.781,676 7.571,677 0.62,678 498.68,679 3.689,680 5.252,681 6.12,682 7.011,683 7.901,684 8.8,685 9.7,686 10.607,687 11.514,688 12.425,689 12.3,692 1,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 65,733 17,735 39,737 69,738 23,739 10,746 5,747 6,752 2,758 1,761 11,762 12,766 1,771 1,775 1,781 30,782 11,783 3,784 12,785 1,790 8,794 0.8,795 3,797 1,806 2,811 1,812 4,815 1,827 1,836 1,838 1,839 1,840 4,842 1,844 2,848 35,849 1,853 1,854 9,856 1,858 1,859 3,865 1,870 4.6,871 1,873 1,874 1,877 17.833,878 12.183,879 7.556,880 3.946,881 2.937,882 1.35,883 0.966,884 7.232,885 11.323,886 3.892,887 4.486,888 5.085,889 5.679,890 6.271,891 6.707,892 7.218,893 7.7,894 8.061,895 8.429,896 0.889,897 59,898 12.997,900 5.596,901 7.733,902 25.004,904 20.913,905 2.233,906 78.167,910 317.82,911 112.827,912 109.412,914 78.828,916 31.278,917 81.549,918 396.648,919 109.412,920 17.65,921 27.049,922 75.581,923 131.534,924 35.187,925 6.331,926 325.555,928 317.82,929 190.961,930 78.828,931 31.278,933 284.834,934 60.458,935 53.683,937 69.962,938 51.529,939 67.142,940 31.278,941 317.82,942 188.24,943 112.827,946 317.82,947 77.081,948 45.118,950 178.867,951 317.82,952 188.24,953 112.827,955 0.591,956 0.347,957 0.179,958 0.103,959 28,960 13,961 0.072,962 5,963 1,964 1.074,965 4.48,966 346.359,967 0.074,968 27,969 167.525,970 1,974 24.411,975 10.369,976 5.153,977 2.013,978 188.24,979 3.312,980 18.094,983 1.735,984 4.814,986 75.581,987 618.887,988 48,993 12.105,997 -0.202,999 65.592,1000 74.102,1001 0.285,1002 0.618,1003 0.799,1004 0.848,1005 0.848,1006 0.848,1007 5.165,1008 1.864,1009 6.12,1010 6.027,1011 4.727,1012 5.173,1013 2.55,1014 6.957,1015 4.583,1016 6.363,1017 1.687,1018 7.699,1019 5.228,1020 4.369,1021 5.066,1022 1.803,1023 7.899,1024 4.179,1025 7.676,1026 1.444,1027 9.377,1028 4.9,1029 6.351,1030 7.372,1031 3.299,1032 11.02,1033 6.08,1034 9.025,1035 1.318,1036 11.113,1037 4.112,1038 6.804,1039 8.128,1040 3.314,1041 12.791,1042 6.492,1043 10.411,1044 1,1045 12.886,1046 3.229,1047 8.267,1048 9.946,1049 4.475,1050 15.439,1051 7.879,1052 11.822,1053 1,1054 14.684,1055 2.315,1056 9.088,1057 11.108,1058 4.826,1059 17.568,1060 8.653,1061 13.253,1062 1,1063 16.501,1064 2.275,1065 10.351,1066 12.743,1067 5.796,1068 20.059,1069 9.845,1070 3.306,1071 0.866,1072 18.333,1073 2.275,1074 11.349,1075 14.103,1076 6.308,1077 22.35,1078 10.786,1079 2.924,1080 11.607,1081 20.177,1082 2.136,1083 12.536,1084 15.67,1085 7.167,1086 24.792,1087 11.904,1088 2.828,1089 9.313,1090 22.031,1091 4.689,1092 13.618,1093 17.126,1094 7.765,1095 27.16,1096 12.924,1097 2.726,1098 9.184,1099 23.893,1100 3.805,1101 14.782,1102 18.67,1103 8.56,1104 29.591,1105 14.018,1106 2.452,1107 8.904,1108 25.762,1109 3.401,1110 15.907,1111 20.17,1112 9.206,1113 31.997,1114 15.076,1115 2.289,1116 7.324,1117 27.637,1118 3.231,1119 17.068,1120 21.709,1121 9.966,1122 34.43,1123 16.166,1124 2.033,1125 6.221,1126 29.517,1127 3.06,1128 18.216,1129 23.231,1130 10.639,1131 36.855,1132 17.244,1133 17000,1134 28481,1135 26.065,1136 42.432,1137 59.745,1138 60.851,1139 61.115,1140 59.353,1141 59.293,1142 72.814,1143 11.11,1144 174.402,1145 54.952,1146 5.724,1147 5.833,1148 6.709,1149 5.383,1150 5.306,1151 7.689,1152 3.579,1153 19.156,1154 5.016,1155 18.302,1156 1.532,1157 1.56,1158 1.567,1159 1.522,1160 1.52,1161 1.867,1162 0.285,1163 4.472,1164 1.409,1165 4.111,1166 4.136,1167 4.348,1168 4.084,1169 7.428,1170 4.043,1171 3.861,1172 3.925,1173 3.826,1174 3.682,1175 6.444,1176 3.697,1177 3.809,1178 3.859,1179 3.766,1180 3.641,1181 5.244,1182 3.658,1183 3.737,1184 3.787,1185 3.646,1186 3.529,1187 5.007,1188 3.543,1189 3.569,1190 3.618,1191 3.456,1192 3.361,1193 4.616,1194 3.373,1195 3.352,1196 3.42,1197 3.334,1198 3.152,1199 4.577,1200 3.172,1201 3.131,1202 3.226,1203 3.088,1204 2.947,1205 4.372,1206 2.91,1207 3.111,1208 3.206,1209 2.956,1210 2.941,1211 4.223,1212 2.91,1213 0.121,1214 0.098,1215 0.177,1216 0.109,1217 0.085,1218 4.724,1219 0.12,1220 3.833,1221 0.052,1222 6.907,1223 0.298,1224 4.239,1225 0.079,1226 3.306,1227 4.689,1228 2.035,1229 11.607,1230 3.082,1231 1.895,1232 1.86,1233 1.993,1234 2.06,1235 1.31,1236 2.036,1237 1.805,1238 1.747,1239 1.96,1240 2.027,1241 1.218,1242 2.02,1243 1.709,1244 1.659,1245 1.868,1246 1.932,1247 1.037,1248 1.915,1249 1.637,1250 1.597,1251 1.799,1252 1.813,1253 0.94,1254 1.808,1255 1.542,1256 1.507,1257 1.763,1258 1.76,1259 0.895,1260 1.757,1261 1.458,1262 1.416,1263 1.538,1264 1.605,1265 0.825,1266 1.634,1267 1.153,1268 1.064,1269 1.513,1270 1.385,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.768,1278 1.429,1279 4.369,1281 5.714,1282 2.398,1283 7.252,1284 4.844,1285 8.874,1286 7.034,1287 10.542,1289 3.633,1293 5.676,1294 9.601,1295 6.431,1297 5.565,1299 -0.954,1300 6.345,1305 40.297,1306 111.45,1307 241.848,1308 312.925,1309 331.944,1310 331.944,1311 331.944,1312 62.285,1313 8.386,1314 133.83,1315 162.07,1316 29,1317 12.941,1318 4.17,1319 3.322,1320 52.071,1321 159,1322 170,1323 0.161,1324 248.482,1325 423.72,1326 598.056,1327 50932,1329 24.526,1330 0.701,1331 0.594,1332 24.88,1333 20.792,1334 16.902,1335 0.433,1336 0.324,1337 11.642,1338 15.595,1339 11.299,1340 9.237,1341 17.31,1342 12.619,1343 15.616,1344 0.279,1345 0.179,1346 16.231,1347 10.011,1348 13.549,1349 0.178,1350 0.102,1351 14.408,1352 7.757,1353 10.81,1354 0.108,1355 0.057,1356 11.82,1357 5.74,1358 9.279,1359 0.069,1360 0.032,1361 10.237,1362 4.253,1363 0.253,1364 111.424,1365 0.196,1366 32.047,1367 0.446,1368 190,1369 567.309,1370 238.584,1371 558.838,1372 765.48,1373 526,1374 227,1375 545.443,1376 277.795,1377 563.152,1378 836.71,1379 530,1380 8.319}
{0 CHEMBL1922095,1 1.693,2 13.083,3 1.538,4 2.366,5 139.749,6 7.54,7 0.4,8 4.332,9 4.46,10 3.94,11 3.808,12 5.387,13 3.787,14 4.917,15 5.116,16 4.364,17 4.234,18 5.947,19 4.194,20 5.157,21 5.35,22 4.473,23 4.409,24 6.257,25 4.339,26 5.277,27 5.52,28 4.389,29 4.464,30 6.24,31 4.343,32 5.207,33 5.425,34 4.417,35 4.495,36 6.13,37 4.366,38 5.259,39 5.482,40 4.409,41 4.516,42 6.161,43 4.382,44 5.266,45 5.517,46 4.308,47 4.422,48 6.132,49 4.299,50 5.236,51 5.51,52 4.208,53 4.311,54 6.105,55 4.193,56 0.084,57 1.093,58 15.232,59 5.889,60 14.417,61 8.016,62 0.538,63 1.744,64 31.703,65 9.975,66 40.501,67 13.735,68 0.773,69 2.113,70 43.518,71 12.342,72 77.598,73 17.709,74 0.807,75 2.212,76 51.065,77 15.609,78 88.758,79 21.33,80 0.636,81 2.187,82 50.764,83 16.558,84 59.957,85 21.47,86 0.678,87 2.304,88 52.629,89 16.789,90 51.507,91 22.525,92 0.554,93 2.188,94 48.194,95 14.418,96 52.218,97 21.752,98 0.696,99 2.007,100 46.984,101 12.881,102 61.129,103 19.776,104 39,105 59,106 0.267,107 0.58,108 0.748,109 0.793,110 0.793,111 0.793,112 3.616,113 0.973,114 -2.66,115 -2.67,116 -2.6,119 35.3,120 3,125 9,130 1,143 2,145 2,146 1,147 1,149 1,150 1,152 2,158 1,163 1,164 1,165 1,172 1,174 4,175 5,177 2,178 2,180 2,183 2,186 2,187 10,190 2,195 1,198 5,199 4,204 1,207 1,209 1,211 3,212 2,220 2,223 4,224 7,226 2,227 3,236 1,237 8,249 1,250 3,252 1,253 1,255 1,260 1,262 7,263 1,268 4,271 4,273 2,275 2378,276 23.85,277 23.85,278 23.85,279 23.85,280 23.85,281 21.895,282 30.828,283 13.695,284 24.782,285 19.726,286 19.726,287 19.726,288 19.726,289 19.726,290 16.607,291 39.824,292 6.547,293 21.26,294 4.394,295 2.41,296 1.342,297 1.063,298 1.063,299 1.063,300 4.318,306 1022,307 3.937,310 83.128,311 448.819,314 155.069,318 2.037,319 40.17,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 79,331 471,332 4.724,333 4.089,334 7.182,335 4.316,336 3.349,337 4.689,338 2.035,339 11.845,340 3.229,341 4.443,342 3.423,343 6.907,344 4.239,345 3.306,346 3.805,347 0.916,348 11.607,349 3.082,350 4.188,351 3.093,352 6.256,353 3.787,354 2.839,355 3.585,356 0.86,357 9.305,358 2.698,359 3.974,360 2.91,361 6.103,362 3.668,363 2.731,364 3.401,365 0.8,366 8.904,367 2.55,368 3.667,369 2.825,370 5.639,371 3.497,372 2.571,373 3.06,374 0.642,375 7.601,376 2.376,377 3.603,378 2.699,379 5.487,380 3.212,381 2.304,382 2.699,383 0.172,384 6.987,385 2.091,386 3.35,387 2.426,388 5.169,389 3.112,390 2.189,391 2.48,392 0.129,393 6.138,394 2.013,395 3.141,396 2.313,397 5.045,398 2.904,399 1.976,400 2.224,402 5.963,403 1.822,404 3.042,405 2.167,406 4.851,407 2.62,408 1.72,409 2.148,411 5.131,412 1.532,413 2.85,414 1.963,415 4.387,416 2.35,417 1.445,418 1.973,420 4.115,421 1.305,422 2.517,423 1.75,424 4.048,425 2.204,426 1.321,427 1.519,428 3.233,429 1.146,430 2.5,431 1.432,432 3.852,433 1.967,434 1,435 1.5,436 2.374,437 0.965,438 2.307,439 1.256,440 3.502,441 1.952,442 1,443 1.117,445 2.275,446 0.946,447 2.108,448 1.146,449 3.414,450 1.919,451 1,452 1.026,454 2.275,455 0.916,456 2,457 1.13,458 3.414,459 1.917,460 0.907,461 1,463 2.217,464 0.9,465 17.033,466 0.473,467 1.141,468 0.032,469 42,470 1.167,471 16.5,472 0.458,473 25.5,474 0.708,475 40.522,476 1.126,477 40.567,478 0.597,479 33.433,480 0.929,481 7.853,482 0.218,483 9.35,484 0.26,485 0.151,486 0.029,487 0.335,493 0.908,494 1.606,495 0.779,496 1.154,497 0.824,498 1.035,499 1.039,500 0.939,501 0.796,502 0.768,503 0.626,504 0.759,505 1.123,506 1.271,507 1.086,508 1.153,509 1.012,510 1.082,511 1.058,512 0.896,513 1.077,514 0.951,515 1.381,516 0.959,517 0.855,518 1.085,519 1.291,520 1.23,521 0.954,522 1.047,523 0.692,524 1.121,525 1.302,526 1.362,527 0.595,528 1.202,529 0.729,530 1.231,531 0.942,532 1.131,533 0.599,534 1.107,535 0.911,536 0.955,537 0.865,538 0.877,539 0.691,540 0.948,541 8.5,542 0.242,543 4.889,544 2.701,545 2.085,546 1.872,547 1.141,548 0.531,549 0.567,550 0.369,551 19377,552 52255,553 2.079,554 47.1,555 3,556 18,558 2,559 3,561 6,564 1.777,565 1.92,566 3.633,567 0.883,573 115.153,574 1.693,575 3.677,576 4.745,577 5.025,578 5.025,579 5.025,580 3.14,581 4.538,582 5.136,583 3.855,584 2428.91,585 9.046,586 38275.1,591 413.947,592 1.614,593 5.084,594 0.213,595 0.006,596 0.083,597 0.044,598 0.037,599 0.032,600 0.02,601 0.01,602 0.012,603 0.008,604 0.466,605 0.33,606 0.63,607 0.862,608 195.708,609 -0.083,610 -0.321,611 0.071,612 -0.065,613 -0.099,614 -0.012,615 -0.011,616 0.21,617 0.159,618 0.233,619 0.096,620 0.207,621 -0.029,622 -0.157,623 -0.052,624 -0.086,625 0.062,626 -0.098,627 -0.098,628 0.123,629 -0.02,630 0.098,631 -0.141,632 0.039,633 -0.028,634 -0.002,635 -0.07,636 0.013,637 -0.07,638 0.016,639 0.044,640 -0.022,641 -0.151,642 -0.173,643 -0.012,644 -0.153,646 -0.225,647 -0.008,648 -0.141,649 -0.018,650 -0.097,651 -0.064,652 0.011,653 0.039,654 0.014,655 -0.035,656 0.016,657 2.591,658 5.426,659 0.75,660 43.84,661 1.007,662 1.14,663 1.426,664 2.034,665 0.65,666 3.714,667 4.094,668 4.369,669 4.635,670 4.927,671 5.081,672 5.318,673 5.509,674 5.659,675 5.799,676 7.768,677 0.615,678 512.71,679 3.714,680 5.293,681 6.159,682 7.06,683 7.948,684 8.855,685 9.752,686 10.664,687 11.568,688 12.483,689 11.8,692 1,693 1,695 1,696 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 68,733 17,735 40,737 72,738 24,739 10,746 5,747 6,752 3,761 11,762 13,763 1,766 1,771 1,775 1,781 32,782 11,783 3,784 12,785 1,790 8,794 0.8,795 3,798 1,806 2,811 1,812 4,815 1,827 1,836 1,838 1,839 1,840 4,842 1,844 3,848 36,849 1,853 1,854 9,856 1,859 3,860 1,865 1,870 4.4,871 1,873 1,874 1,877 18.75,878 13.1,879 7.611,880 4.075,881 2.928,882 1.347,883 0.954,884 7.208,885 11.375,886 3.912,887 4.519,888 5.104,889 5.685,890 6.275,891 6.709,892 7.221,893 7.702,894 8.063,895 8.431,896 0.889,897 61,898 13.391,900 5.803,901 7.725,902 25.74,904 21.599,905 2.225,906 80.083,910 341.362,911 121.652,912 109.412,914 78.828,916 31.278,917 90.374,918 420.19,919 109.412,920 26.476,921 27.049,922 75.581,923 131.534,924 35.187,925 6.331,926 349.097,928 341.362,929 199.786,930 78.828,931 31.278,933 273.063,934 95.772,935 53.683,937 78.787,938 51.529,939 67.142,940 31.278,941 341.362,942 188.24,943 121.652,946 341.362,947 77.081,948 53.943,950 178.867,951 341.362,952 188.24,953 121.652,955 0.599,956 0.344,957 0.174,958 0.1,959 30,960 14,961 0.069,962 5,963 1,964 1.074,965 4.515,966 360.64,967 0.074,968 27,969 172.117,970 1,974 25.367,975 10.23,976 5.389,977 2.009,978 188.24,979 3.313,980 18.116,983 1.735,984 4.804,986 75.581,987 651.254,988 49,993 12.426,997 -0.218,999 68.476,1000 77.517,1001 0.278,1002 0.604,1003 0.779,1004 0.825,1005 0.825,1006 0.825,1007 5.204,1008 1.976,1009 6.192,1010 6.138,1011 4.779,1012 5.207,1013 2.55,1014 7.062,1015 4.638,1016 6.425,1017 1.72,1018 7.798,1019 5.963,1020 4.575,1021 5.173,1022 1.803,1023 8.194,1024 4.393,1025 7.758,1026 1.445,1027 9.51,1028 5.131,1029 6.472,1030 7.42,1031 3.299,1032 11.256,1033 6.214,1034 9.126,1035 1.321,1036 11.285,1037 4.115,1038 7.057,1039 8.21,1040 3.314,1041 13.181,1042 6.77,1043 10.528,1044 1,1045 13.1,1046 3.233,1047 8.484,1048 9.999,1049 4.475,1050 15.826,1051 8.128,1052 11.955,1053 1,1054 14.944,1055 2.374,1056 9.405,1057 11.171,1058 4.826,1059 18.063,1060 9.019,1061 13.4,1062 1,1063 16.809,1064 2.275,1065 10.667,1066 12.79,1067 5.796,1068 20.579,1069 10.221,1070 3.349,1071 0.907,1072 18.69,1073 2.275,1074 11.738,1075 14.149,1076 6.308,1077 22.944,1078 11.256,1079 3.306,1080 11.845,1081 20.584,1082 2.217,1083 12.944,1084 15.706,1085 7.167,1086 25.418,1087 12.41,1088 2.839,1089 11.607,1090 22.488,1091 4.689,1092 14.081,1093 17.157,1094 7.765,1095 27.837,1096 13.506,1097 2.731,1098 9.305,1099 24.401,1100 3.805,1101 15.271,1102 18.695,1103 8.56,1104 30.299,1105 14.649,1106 2.571,1107 8.904,1108 26.321,1109 3.585,1110 16.439,1111 20.191,1112 9.206,1113 32.741,1114 15.773,1115 2.304,1116 7.601,1117 28.247,1118 3.401,1119 17.628,1120 21.726,1121 9.966,1122 35.201,1123 16.916,1124 2.189,1125 6.987,1126 30.178,1127 3.06,1128 18.81,1129 23.245,1130 10.639,1131 37.654,1132 18.055,1133 18378,1134 30337,1135 26.353,1136 44.194,1137 62.003,1138 62.857,1139 62.95,1140 61.41,1141 61.366,1142 74.9,1143 11.11,1144 185.261,1145 56.987,1146 5.724,1147 6.089,1148 6.984,1149 5.46,1150 5.349,1151 7.689,1152 3.579,1153 19.394,1154 5.162,1155 20.352,1156 1.55,1157 1.571,1158 1.574,1159 1.535,1160 1.534,1161 1.872,1162 0.278,1163 4.632,1164 1.425,1165 4.112,1166 4.137,1167 4.348,1168 4.084,1169 7.428,1170 4.043,1171 3.873,1172 3.933,1173 3.826,1174 3.683,1175 6.443,1176 3.701,1177 3.812,1178 3.861,1179 3.787,1180 3.665,1181 5.245,1182 3.678,1183 3.74,1184 3.791,1185 3.647,1186 3.532,1187 5.007,1188 3.546,1189 3.632,1190 3.686,1191 3.515,1192 3.449,1193 4.616,1194 3.453,1195 3.359,1196 3.426,1197 3.342,1198 3.157,1199 4.577,1200 3.179,1201 3.146,1202 3.237,1203 3.091,1204 2.951,1205 4.373,1206 2.916,1207 3.111,1208 3.206,1209 2.992,1210 2.941,1211 4.225,1212 2.91,1213 0.118,1214 0.102,1215 0.18,1216 0.108,1217 0.084,1218 4.724,1219 0.117,1220 4.089,1221 0.051,1222 7.182,1223 0.296,1224 4.316,1225 0.081,1226 3.349,1227 4.689,1228 2.035,1229 11.845,1230 3.229,1231 1.895,1232 1.86,1233 1.998,1234 2.06,1235 1.311,1236 2.037,1237 1.814,1238 1.758,1239 1.961,1240 2.032,1241 1.218,1242 2.024,1243 1.709,1244 1.659,1245 1.874,1246 1.933,1247 1.047,1248 1.915,1249 1.661,1250 1.624,1251 1.854,1252 1.843,1253 1.002,1254 1.848,1255 1.59,1256 1.538,1257 1.778,1258 1.788,1259 0.915,1260 1.783,1261 1.481,1262 1.451,1263 1.539,1264 1.613,1265 0.825,1266 1.64,1267 1.153,1268 1.064,1269 1.513,1270 1.392,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.769,1278 1.429,1279 4.394,1281 5.759,1282 2.398,1283 7.311,1284 4.844,1285 8.943,1286 7.034,1287 10.618,1289 5.196,1293 5.682,1294 10.066,1295 6.366,1297 5.571,1300 6.357,1301 -1.341,1305 41.824,1306 115.153,1307 250.056,1308 322.663,1309 341.683,1310 341.683,1311 341.683,1312 69.185,1313 8.447,1314 133.83,1315 162.07,1316 29,1317 12.997,1318 4.17,1319 3.322,1320 54.362,1321 169,1322 162,1323 0.159,1324 258.075,1325 441.02,1326 621.462,1327 55055,1329 25.449,1330 0.707,1331 0.603,1332 25.803,1333 21.715,1334 17.203,1335 0.43,1336 0.324,1337 11.994,1338 15.905,1339 11.564,1340 9.49,1341 17.611,1342 12.968,1343 16.667,1344 0.282,1345 0.184,1346 17.283,1347 10.861,1348 13.827,1349 0.177,1350 0.101,1351 14.686,1352 7.899,1353 10.947,1354 0.107,1355 0.057,1356 11.957,1357 5.845,1358 9.379,1359 0.068,1360 0.032,1361 10.337,1362 4.332,1363 0.25,1364 113.151,1365 0.195,1366 32.805,1367 0.437,1368 198,1369 575.309,1370 247.248,1371 569.28,1372 779.88,1373 534,1374 236,1375 560.201,1376 287.626,1377 580.516,1378 859.8,1379 544,1380 8.77}
{0 CHEMBL1922912,1 1.751,2 11.444,3 2.062,4 4.252,5 105.411,6 8.987,7 0.767,8 3.872,9 3.967,10 3.75,11 3.51,12 5.066,13 3.485,14 4.341,15 4.459,16 4.032,17 3.885,18 5.78,19 3.847,20 4.564,21 4.713,22 4.079,23 4.017,24 5.814,25 3.944,26 4.628,27 4.81,28 3.999,29 3.929,30 5.887,31 3.846,32 4.557,33 4.759,34 3.943,35 3.795,36 5.872,37 3.728,38 4.327,39 4.478,40 3.853,41 3.687,42 5.691,43 3.635,44 4.37,45 4.557,46 3.717,47 3.615,48 5.694,49 3.567,50 4.249,51 4.437,52 3.557,53 3.521,54 5.64,55 3.466,56 0.116,57 0.676,58 8.354,59 3.676,60 18.217,61 3.615,62 0.363,63 1.039,64 12.094,65 5.92,66 51.914,67 6.373,68 0.265,69 1.249,70 18.091,71 8.19,72 32,73 8.659,74 0.37,75 1.28,76 23.783,77 9.023,78 51.748,79 9.519,80 0.533,81 1.168,82 22.491,83 8.072,84 76.409,85 8.646,86 0.259,87 0.971,88 16.719,89 6.683,90 29.358,91 6.656,92 0.414,93 0.984,94 20.162,95 6.455,96 60.654,97 6.469,98 0.467,99 0.837,100 13.757,101 5.368,102 66.973,103 6.149,104 10,105 43,106 0.298,107 0.551,108 0.71,109 0.823,110 0.854,111 0.87,112 3.34,113 0.954,114 -2.92,115 -2.93,116 -2.83,119 45.2,142 8,143 4,144 2,145 4,150 1,163 1,164 1,165 1,172 11,174 2,175 3,177 2,178 4,180 1,183 13,187 8,190 1,192 3,195 10,199 8,204 4,207 4,209 1,211 4,212 6,217 3,220 3,222 1,224 8,227 2,229 3,232 4,234 1,237 4,239 1,240 1,242 1,245 6,249 4,250 2,254 1,257 1,258 6,263 6,271 5,275 1086,276 18.126,277 18.126,278 18.126,279 18.126,280 18.126,281 15.16,282 9.2,283 10.603,284 18.512,285 14.831,286 14.831,287 14.831,288 14.831,289 14.831,290 10.395,291 6.314,292 5.062,293 15.465,294 3.641,295 2.155,296 1.226,297 0.56,298 0.381,299 0.286,300 4.037,303 1,304 1,305 1,306 679,307 3.24,311 321.406,315 124.397,318 1.72,319 32.086,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 309,332 4.867,333 4.687,334 7.313,335 4.326,336 3.404,337 4.739,339 12.537,340 3.12,341 4.342,342 2.924,343 6.174,344 3.887,345 2.901,346 4.238,348 9.195,349 2.865,350 4.269,351 2.844,352 6.148,353 3.821,354 2.827,355 3.932,357 9.08,358 2.798,359 3.841,360 2.539,361 5.367,362 3.356,363 2.42,364 3.404,366 6.879,367 2.27,368 3.506,369 2.288,370 5.03,371 3.096,372 2.155,373 2.844,375 6.013,376 2.013,377 3.23,378 1.729,379 4.753,380 2.695,381 1.702,382 2.558,384 4.962,385 1.69,386 3.118,387 1.618,388 4.406,389 2.618,390 1.618,391 2.427,393 4.297,394 1.618,395 2.881,396 1.479,397 4.229,398 2.391,399 1.427,400 2.049,402 3.816,403 1.375,404 2.83,405 1.345,406 3.62,407 2.313,408 1.32,409 1.977,411 2.958,412 1.308,413 2.588,414 1.113,415 3.485,416 2.043,417 1.103,418 1.63,420 2.532,421 1.034,422 2.5,423 1,424 3.414,425 1.917,426 1,427 1.5,428 2.275,429 0.916,430 2.158,431 0.722,432 3.253,433 1.657,434 0.66,435 0.985,436 1.545,437 0.657,438 1.214,439 0.256,440 3.101,441 0.836,442 -0.113,443 -0.142,445 -0.299,446 -0.106,447 1.155,448 -0.033,449 2.683,450 0.772,451 -0.155,452 -0.194,454 -0.374,455 -0.144,456 1.032,457 -0.097,458 2.533,459 0.523,460 -0.456,461 -0.665,463 -1.127,464 -0.44,465 13,466 0.481,467 0.748,468 0.028,469 43.5,470 1.611,471 26,472 0.963,473 17.5,474 0.648,475 15.751,476 0.583,477 27.2,478 0.648,479 32.332,480 1.197,481 8.477,482 0.314,483 4.533,484 0.168,485 0.082,486 0.064,487 0.269,493 0.618,494 1.178,495 0.782,496 1.092,497 0.766,498 0.791,499 0.552,500 0.875,501 0.861,502 0.906,503 0.55,504 0.885,505 0.966,506 1.108,507 1.108,508 1.151,509 0.899,510 1.101,511 1.244,512 1.152,513 1.23,514 1.225,515 1.248,516 1.123,517 1.346,518 0.814,519 0.99,520 0.833,521 1.455,522 0.832,523 1.249,524 1.191,525 1.244,526 1.295,527 1.267,528 1.078,529 1.612,530 0.924,531 1.269,532 1.05,533 1.666,534 0.922,535 1.121,536 0.753,537 0.844,538 0.725,539 1.354,540 0.932,541 6.5,542 0.115,543 3.556,544 1.688,545 1.64,546 1.014,547 0.608,548 0.488,549 0.181,550 0.169,551 9340,552 28329,553 2.11,554 35.7,556 8,558 4,559 3,564 1.699,565 1.988,566 3.484,567 0.981,568 1,569 1,573 73.554,574 1.751,575 3.237,576 4.166,577 4.833,578 5.011,579 5.107,580 2.936,581 4.385,582 4.727,583 3.608,584 1266.52,585 8.197,586 16181.8,587 1,588 1,590 1,591 226.477,592 1.481,593 4.685,594 0.217,595 0.006,596 0.083,597 0.039,598 0.044,599 0.029,600 0.018,601 0.017,602 0.007,603 0.008,604 0.468,605 0.33,606 1,607 0.528,608 134.085,609 0.033,610 -0.07,611 0.191,612 -0.046,613 -0.212,614 0.061,615 0.319,616 0.185,617 -0.017,618 0.034,619 0.27,620 -0.035,621 -0.104,622 -0.11,623 -0.126,624 -0.129,625 -0.046,626 -0.161,627 -0.16,628 -0.188,629 -0.102,630 -0.149,631 -0.099,632 -0.125,633 -0.03,634 0.15,635 0.112,636 0.192,637 -0.062,638 0.164,639 -0.074,640 -0.185,641 -0.099,642 -0.201,643 -0.012,644 -0.134,645 -0.268,646 0.065,647 -0.133,648 -0.001,649 -0.197,650 0.047,651 0.132,652 0.18,653 -0.023,654 0.138,655 0.003,656 0.012,657 4.668,658 5.758,659 0.815,660 24.115,661 1.016,662 1.117,663 1.691,664 2.861,665 0.724,666 3.434,667 3.784,668 4.025,669 4.263,670 4.522,671 4.554,672 4.654,673 4.718,674 4.779,675 4.779,676 6.531,677 0.699,678 377.46,679 3.434,680 4.99,681 5.838,682 6.723,683 7.586,684 8.473,685 9.343,686 10.231,687 11.103,688 11.992,689 11.9,693 1,694 1,699 3,703 2,704 12,705 3,709 5,711 23,722 1,731 42,733 25,734 2,735 30,737 45,738 19,739 19,740 3,741 7,746 4,747 5,761 19,766 2,769 1,771 2,777 1,778 1,781 15,782 7,783 3,784 8,785 1,790 5,794 0.75,795 2,805 1,806 1,812 4,816 1,840 3,842 1,848 27,849 1,852 1,855 1,870 4.8,873 2,877 13.583,878 7.433,879 5.764,880 2.221,881 4.367,882 1.58,883 1.049,884 4.383,885 11.895,886 3.795,887 4.483,888 5.055,889 5.651,890 6.264,891 6.544,892 6.96,893 7.297,894 7.646,895 7.769,896 0.875,897 43,898 10.172,900 4.649,901 7.948,902 18.572,904 15.436,905 2.448,906 66.083,910 141.253,911 135.531,912 99.659,914 44.313,916 5.807,917 129.723,918 185.566,919 99.659,922 114.515,923 158.159,924 52.014,925 1.899,926 94.169,928 141.253,929 229.382,930 44.313,931 5.807,933 141.253,934 44.313,937 38.089,938 124.532,939 72.569,941 141.253,942 143.972,943 135.531,945 5.807,946 141.253,947 17.724,948 112,949 16.405,950 127.567,951 141.253,952 143.972,953 135.531,955 0.591,956 0.337,957 0.175,958 0.1,959 22,960 9,961 0.089,962 4,963 1,964 1.091,965 3.907,966 233.383,967 0.091,968 22,969 122.382,973 1,974 17.255,975 6.859,976 3.688,977 1.828,978 143.972,979 20.411,980 11.971,984 2.053,986 49.302,987 420.756,988 43.5,991 -3.752,993 25.515,999 42.658,1000 46.906,1001 0.325,1002 0.6,1003 0.773,1004 0.896,1005 0.929,1006 0.947,1007 5.022,1008 1.427,1009 5.855,1010 4.297,1011 4.466,1012 5.17,1014 6.696,1015 4.386,1016 6.282,1017 1.32,1018 7.439,1019 3.816,1020 4.205,1021 5.198,1023 7.867,1024 4.053,1025 7.635,1026 1.103,1027 9.137,1028 2.958,1029 6.138,1030 7.533,1032 10.891,1033 5.962,1034 9.03,1035 1,1036 10.906,1037 2.532,1038 6.686,1039 8.369,1041 12.909,1042 6.418,1043 10.461,1044 0.66,1045 12.724,1046 2.275,1047 8.138,1048 10.212,1050 15.542,1051 7.841,1052 11.917,1053 -0.113,1054 14.578,1055 1.545,1056 9.046,1057 11.414,1059 17.875,1060 8.651,1061 13.393,1062 -0.155,1063 16.457,1064 -0.299,1065 10.322,1066 13.064,1068 20.411,1069 9.881,1070 3.404,1071 -0.456,1072 18.357,1073 -0.374,1074 11.391,1075 14.439,1077 22.861,1078 10.852,1079 2.901,1080 12.537,1081 20.272,1082 -1.127,1083 12.607,1084 16.012,1086 25.379,1087 12.004,1088 2.827,1089 9.195,1090 22.201,1091 4.739,1092 13.749,1093 17.468,1095 27.873,1096 13.048,1097 2.42,1098 9.08,1099 24.139,1100 4.238,1101 14.949,1102 19.012,1104 30.392,1105 14.171,1106 2.155,1107 6.879,1108 26.087,1109 3.932,1110 16.125,1111 20.508,1113 32.905,1114 15.249,1115 1.702,1116 6.013,1117 28.041,1118 3.404,1119 17.326,1120 22.044,1122 35.427,1123 16.362,1124 1.618,1125 4.962,1126 30.001,1127 2.844,1128 18.52,1129 23.562,1131 37.948,1132 17.458,1133 8765,1134 15445,1135 20.167,1136 30.392,1137 45.461,1138 45.837,1139 46.055,1140 45.123,1141 45.071,1142 64.567,1144 132.18,1145 43.328,1146 5.697,1147 6.687,1148 7,1149 5.394,1150 5.404,1151 7.739,1153 19.961,1154 5.12,1155 11.324,1156 1.515,1157 1.528,1158 1.535,1159 1.504,1160 1.502,1161 2.152,1163 4.406,1164 1.444,1165 4.153,1166 4.151,1167 4.738,1168 4.137,1169 7.717,1170 4.089,1171 3.964,1172 4,1173 3.966,1174 3.877,1175 6.999,1176 3.874,1177 3.83,1178 3.83,1179 3.91,1180 3.769,1181 5.237,1182 3.696,1183 3.646,1184 3.677,1185 3.625,1186 3.484,1187 4.901,1188 3.5,1189 3.309,1190 3.34,1191 3.253,1192 3.212,1193 4.87,1194 3.181,1195 3.054,1196 3.141,1197 2.953,1198 2.933,1199 4.567,1200 2.92,1201 3.015,1202 3.069,1203 2.905,1204 2.832,1205 4.275,1206 2.846,1207 2.777,1208 2.843,1209 2.683,1210 2.572,1211 3.962,1212 2.582,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.867,1219 0.158,1220 4.687,1222 7.313,1223 0.418,1224 4.326,1225 0.104,1226 3.404,1227 4.739,1229 12.537,1230 3.12,1231 2.093,1232 2.087,1233 2.148,1234 2.14,1235 1.314,1236 2.163,1237 1.914,1238 1.885,1239 1.981,1240 2.039,1241 1.071,1242 2.03,1243 1.691,1244 1.7,1245 1.716,1246 1.859,1247 0.862,1248 1.859,1249 1.562,1250 1.524,1251 1.634,1252 1.699,1253 0.66,1254 1.722,1255 1.244,1256 1.231,1257 1.294,1258 1.413,1259 0.433,1260 1.438,1261 1.039,1262 0.991,1263 1.251,1264 1.279,1265 0.304,1266 1.281,1267 0.966,1268 0.896,1269 1.11,1270 1.175,1271 0.098,1272 1.206,1273 0.727,1274 0.655,1275 0.942,1276 0.955,1277 0.007,1278 0.97,1279 4.111,1281 5.451,1283 6.991,1285 8.615,1287 10.279,1293 5.492,1296 2.565,1305 29.358,1306 73.554,1307 135.948,1308 174.968,1309 202.968,1310 210.477,1311 214.477,1312 46.929,1313 7.528,1314 110.86,1315 119.24,1316 24,1317 12.525,1318 4.7,1319 3.858,1320 40.295,1321 106,1322 110,1323 0.185,1324 184.345,1325 306.27,1326 441.561,1327 20120,1329 18.855,1330 0.698,1331 0.551,1332 19.105,1333 14.888,1334 13.01,1335 0.434,1336 0.318,1337 8.086,1338 11.829,1339 7.796,1340 6.481,1341 13.831,1342 9.541,1343 12.32,1344 0.287,1345 0.176,1346 13.62,1347 7.589,1348 10.01,1349 0.182,1350 0.098,1351 11.101,1352 5.406,1353 8.197,1354 0.117,1355 0.054,1356 9.217,1357 3.758,1358 6.863,1359 0.075,1360 0.03,1361 7.812,1362 2.709,1363 0.291,1364 89.349,1365 0.223,1366 25.996,1367 0.504,1368 146,1369 448.912,1370 194.931,1371 465.141,1372 634.55,1373 428,1374 171,1375 444.991,1376 227.918,1377 492.543,1378 711.57,1379 460,1380 4.398}
{0 CHEMBL1926704,1 2.018,2 10.37,3 3.82,4 14.589,5 110.991,6 12.179,7 0.552,8 3.852,9 3.939,10 3.96,11 3.486,12 5.089,13 3.429,14 4.349,15 4.476,16 4.362,17 3.879,18 5.86,19 3.813,20 4.523,21 4.647,22 4.43,23 4.039,24 5.933,25 3.932,26 4.674,27 4.825,28 4.371,29 3.957,30 6.077,31 3.867,32 4.589,33 4.772,34 4.437,35 3.842,36 5.924,37 3.739,38 4.462,39 4.613,40 4.164,41 3.699,42 6.184,43 3.636,44 4.497,45 4.712,46 3.967,47 3.611,48 5.904,49 3.543,50 4.234,51 4.402,52 4.265,53 3.672,54 5.542,55 3.508,56 0.224,57 0.685,58 1.805,59 3.857,60 17.174,61 3.5,62 0.541,63 1.048,64 7.187,65 6.418,66 79.015,67 5.876,68 0.473,69 1.25,70 27.894,71 9.894,72 41.295,73 7.527,74 0.781,75 1.305,76 28.694,77 10.872,78 107.601,79 8.052,80 0.85,81 1.166,82 21.501,83 9.67,84 120.663,85 7.615,86 0.847,87 1.059,88 28.519,89 8.16,90 136.024,91 6.538,92 0.853,93 1.005,94 22.354,95 7.812,96 98.646,97 7.387,98 0.481,99 0.8,100 29.091,101 8.522,102 72.72,103 6.494,104 51,105 43,106 0.348,107 0.691,108 0.817,109 0.866,110 0.866,111 0.866,112 3.34,113 1.048,114 -4.19,115 -4.13,116 -3.9,119 39,120 1,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,166 4,172 3,174 4,175 7,183 8,186 2,187 14,195 3,198 2,199 13,207 2,211 5,212 12,223 7,224 5,232 2,236 6,237 4,245 2,250 5,258 3,263 10,271 2,275 1083,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 12.676,283 9.769,284 17.878,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.236,292 4.562,293 15.204,294 3.339,295 1.344,296 0.613,297 0.33,298 0.33,299 0.33,300 4.011,305 1,306 591,307 4.183,310 64.287,311 174.415,314 119.432,318 1.542,319 43.371,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 59.9,331 280,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.554,342 3.775,343 6.543,344 4.045,345 3.086,346 4.512,348 10.344,349 2.956,350 4.235,351 3.139,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.767,360 2.689,361 5.731,362 3.31,363 2.335,364 3.236,366 7.144,367 2.279,368 3.66,369 2.61,370 5.168,371 3.139,372 2.254,373 3.093,375 6.226,376 1.989,377 3.402,378 2.259,379 4.95,380 2.86,381 1.949,382 2.742,384 5.706,385 1.585,386 3.011,387 1.914,388 4.694,389 2.571,390 1.615,391 2.119,393 4.398,394 1.531,395 2.914,396 1.889,397 4.14,398 2.235,399 1.255,400 2.012,402 3.421,403 1.234,404 2.71,405 1.374,406 3.911,407 2.214,408 1.234,409 1.799,411 3.006,412 1.18,413 2.622,414 1.184,415 3.768,416 2.063,417 1.079,418 1.628,420 2.792,421 1.052,422 2.215,423 1,424 3.306,425 1.714,426 0.78,427 1.083,428 1.819,429 0.684,430 1.865,431 0.938,432 3.1,433 1.241,434 0.31,435 0.451,436 0.72,437 0.264,438 1.251,439 0.664,440 2.765,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.087,447 1.01,448 0.412,449 2.376,450 0.453,451 -0.346,452 -0.438,454 -0.805,455 -0.102,456 1,457 0.098,458 2.342,459 0.156,460 -0.816,461 -1.01,463 -2,464 -0.706,465 13.81,466 0.511,467 0.976,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 21.455,476 0.795,477 28.19,478 0.688,479 30.027,480 1.112,481 7.337,482 0.272,483 5.359,484 0.198,485 0.288,486 0.06,487 0.304,493 0.327,494 1.132,495 0.489,496 0.731,497 0.576,498 0.811,499 0.591,500 1.04,501 0.568,502 0.606,503 0.483,504 0.669,505 0.884,506 1.229,507 1.042,508 1.115,509 0.685,510 1.084,511 1.409,512 1.174,513 0.733,514 0.939,515 1.395,516 1.12,517 1.29,518 0.867,519 0.693,520 0.733,521 1.435,522 0.832,523 0.822,524 1.155,525 0.863,526 1.014,527 0.742,528 1.135,529 1.099,530 0.65,531 0.321,532 0.449,533 1.128,534 0.749,535 1.171,536 0.816,537 0.56,538 0.58,539 1.222,540 0.842,541 7.5,542 0.153,543 4.889,544 2.542,545 1.804,546 1.316,547 0.651,548 0.441,549 0.295,550 0.215,551 8332,552 33616,553 1.963,554 34.1,555 3,556 8,557 1,558 2,564 1.701,565 1.77,566 3.359,567 -0.586,569 1,572 1,573 82.747,574 2.018,575 4.013,576 4.745,577 5.028,578 5.028,579 5.028,580 2.745,581 4.459,582 4.73,583 3.53,584 1239,585 8.21,586 15862,591 219.66,592 1.74,593 4.637,594 0.259,595 0.008,596 0.114,597 0.056,598 0.046,599 0.038,600 0.02,601 0.016,602 0.011,603 0.009,604 0.576,605 0.33,606 0.88,607 0.857,608 133.558,609 0.287,610 0.012,611 0.013,612 -0.04,613 -0.078,614 -0.024,615 0.208,616 0.025,617 0.026,618 0.113,619 0.246,620 0.166,621 -0.095,622 -0.13,623 -0.107,624 -0.13,625 0.051,626 -0.175,627 -0.299,628 -0.2,629 -0.055,630 -0.114,631 -0.219,632 -0.201,633 -0.134,634 0.079,635 0.037,636 0.101,637 -0.246,638 0.124,639 0.291,640 -0.159,641 -0.07,642 -0.163,643 0.382,644 -0.241,645 0.009,646 0.252,647 0.051,648 0.136,649 -0.029,650 0.193,651 -0.192,652 0.061,653 0.12,654 0.225,655 -0.159,656 0.158,657 4.955,658 5.773,659 0.556,660 22.189,661 1.034,662 1.123,663 2.957,664 8.746,665 0.755,666 3.401,667 3.784,668 4.043,669 4.234,670 4.419,671 4.454,672 4.431,673 4.466,674 4.357,675 4.357,676 6.342,677 0.71,678 499.32,679 3.401,680 4.977,681 5.838,682 6.735,683 7.617,684 8.515,685 9.403,686 10.302,687 11.192,688 12.091,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 41,733 21,734 1,735 29,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,781 14,782 7,784 11,785 2,786 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,847 1,848 27,852 1,859 1,869 1,870 9.8,873 2,876 2,877 15.25,878 8.143,879 5.778,880 2.16,881 3.804,882 1.532,883 0.991,884 5.507,885 10.952,886 3.761,887 4.463,888 5.036,889 5.603,890 6.112,891 6.46,892 6.73,893 7.037,894 7.041,895 7.304,896 0.857,897 45,898 10.278,900 4.757,901 8.205,902 18.238,904 14.809,905 2.705,906 73.037,910 164.795,911 168.817,912 41.556,914 95.06,916 62.589,917 106.227,918 259.855,919 41.556,920 22.892,922 62.236,923 93.566,924 40.609,925 13.915,926 186.264,927 50.747,928 164.795,929 147.784,930 95.06,931 5.807,932 56.782,933 164.795,934 44.313,935 50.747,937 37.096,938 79.307,939 37.188,940 56.782,941 164.795,942 136.616,943 112.035,944 56.782,945 5.807,946 164.795,947 14.482,948 156.757,950 128.386,951 164.795,952 136.616,953 112.035,954 56.782,955 0.605,956 0.357,957 0.172,958 0.094,959 21,960 11,961 0.116,962 5,963 1,964 1.133,965 3.707,966 229.671,967 0.133,968 15,969 124.382,973 1,974 19.728,975 7.537,976 3.974,977 0.781,978 129.782,979 10.856,980 4.182,984 1.586,987 470.228,988 42,990 -0.637,991 -4.038,993 47.449,995 1.392,996 4.005,999 42.382,1000 46.046,1001 0.377,1002 0.749,1003 0.886,1004 0.938,1005 0.938,1006 0.938,1007 5.017,1008 1.255,1009 5.894,1010 4.398,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.344,1016 6.304,1017 1.234,1018 7.53,1019 3.421,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.141,1025 7.683,1026 1.079,1027 9.281,1028 3.006,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 5.958,1034 9.105,1035 0.78,1036 11.103,1037 2.792,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.548,1043 10.562,1044 0.31,1045 12.973,1046 1.819,1047 8.288,1048 10.307,1049 5.948,1050 16.024,1051 7.916,1052 12.044,1053 -0.101,1054 14.878,1055 0.72,1056 9.301,1057 11.618,1058 6.556,1059 18.471,1060 8.831,1061 13.545,1062 -0.346,1063 16.81,1064 -0.233,1065 10.572,1066 13.231,1067 7.794,1068 21.102,1069 10.047,1070 3.535,1071 -0.816,1072 18.763,1073 -0.805,1074 11.716,1075 14.676,1076 8.548,1077 23.655,1078 11.097,1079 3.086,1080 13.729,1081 20.733,1082 -2,1083 12.954,1084 16.24,1085 9.67,1086 26.269,1087 12.264,1088 2.756,1089 10.344,1090 22.716,1091 4.803,1092 14.153,1093 17.741,1094 10.509,1095 28.86,1096 13.371,1097 2.335,1098 8.469,1099 24.71,1100 4.512,1101 15.387,1102 19.291,1103 11.563,1104 31.473,1105 14.525,1106 2.254,1107 7.144,1108 26.712,1109 3.917,1110 16.612,1111 20.818,1112 12.452,1113 34.08,1114 15.658,1115 1.949,1116 6.226,1117 28.722,1118 3.236,1119 17.85,1120 22.365,1121 13.468,1122 36.694,1123 16.811,1124 1.615,1125 5.706,1126 30.737,1127 3.093,1128 19.088,1129 23.904,1130 14.386,1131 39.308,1132 17.959,1133 8210,1134 16664,1135 18.205,1136 30.96,1137 45.071,1138 46.922,1139 46.951,1140 44.661,1141 44.378,1142 62.792,1143 5.225,1144 135.551,1145 41.386,1146 5.762,1147 6.741,1148 7.08,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.304,1156 1.554,1157 1.618,1158 1.619,1159 1.54,1160 1.53,1161 2.165,1162 0.18,1163 4.674,1164 1.427,1165 4.141,1166 4.17,1167 10.695,1168 4.1,1169 7.815,1170 4.028,1171 4.076,1172 4.083,1173 4.742,1174 4.053,1175 7.715,1176 3.972,1177 3.788,1178 3.788,1179 4.052,1180 3.646,1181 6.999,1182 3.567,1183 3.498,1184 3.541,1185 3.881,1186 3.588,1187 6.999,1188 3.362,1189 3.407,1190 3.433,1191 3.441,1192 3.154,1193 5.079,1194 3.197,1195 3.16,1196 3.214,1197 3.316,1198 3.075,1199 4.651,1200 2.934,1201 3.006,1202 3.084,1203 3.034,1204 2.886,1205 4.582,1206 2.804,1207 2.986,1208 3.072,1209 2.8,1210 2.678,1211 4.272,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.903,1238 1.872,1239 1.943,1240 2.03,1241 1.114,1242 2.016,1243 1.596,1244 1.584,1245 1.681,1246 1.855,1247 0.79,1248 1.831,1249 1.445,1250 1.426,1251 1.565,1252 1.699,1253 0.633,1254 1.648,1255 1.312,1256 1.259,1257 1.561,1258 1.581,1259 0.612,1260 1.588,1261 1.078,1262 1.011,1263 1.151,1264 1.326,1265 0.421,1266 1.376,1267 0.964,1268 0.897,1269 1.111,1270 1.25,1271 0.139,1272 1.259,1273 0.907,1274 0.84,1275 1.058,1276 1.181,1277 0.085,1278 1.184,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1289 2.848,1292 2.169,1300 0.788,1305 29.104,1306 82.747,1307 164.54,1308 194.54,1309 206.15,1310 206.15,1311 206.15,1312 67.895,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.615,1318 4.459,1319 3.807,1320 47.025,1321 103,1322 90,1323 0.223,1324 194.393,1325 325.77,1326 466.08,1327 11922,1328 2.4,1329 19.767,1330 0.732,1331 0.639,1332 21.517,1333 17.248,1334 12.696,1335 0.438,1336 0.349,1337 7.649,1338 10.51,1339 7.24,1340 6.03,1341 14.351,1342 10.127,1343 12.38,1344 0.288,1345 0.205,1346 14.948,1347 8.829,1348 10.199,1349 0.182,1350 0.113,1351 12.372,1352 6.338,1353 7.623,1354 0.112,1355 0.06,1356 9.327,1357 4.058,1358 5.988,1359 0.073,1360 0.034,1361 7.724,1362 2.822,1363 0.35,1364 102.652,1365 0.234,1366 25.795,1367 0.615,1368 144,1369 537.677,1370 351.775,1371 575.767,1372 756,1373 524,1374 171,1375 505.519,1376 286.151,1377 554.98,1378 801.58,1379 516,1380 7.796}
{0 CHEMBL1928522,1 1.889,2 10.269,3 3.241,4 10.506,5 98.583,6 9.108,7 0.571,8 3.851,9 3.944,10 3.737,11 3.401,12 5.088,13 3.385,14 4.348,15 4.482,16 4.05,17 3.762,18 5.852,19 3.753,20 4.52,21 4.659,22 4.114,23 3.901,24 5.92,25 3.865,26 4.672,27 4.833,28 4.018,29 3.85,30 6.07,31 3.809,32 4.587,33 4.78,34 3.939,35 3.68,36 5.908,37 3.649,38 4.459,39 4.623,40 3.918,41 3.603,42 6.174,43 3.59,44 4.496,45 4.715,46 3.704,47 3.566,48 5.9,49 3.514,50 4.231,51 4.409,52 3.488,53 3.475,54 5.553,55 3.418,56 0.224,57 0.685,58 8.091,59 3.752,60 16.268,61 3.874,62 0.537,63 1.029,64 13.376,65 5.606,66 77.046,67 6.221,68 0.477,69 1.202,70 19.44,71 7.625,72 41.758,73 7.64,74 0.779,75 1.232,76 26.469,77 8.673,78 105.629,79 8.402,80 0.849,81 1.079,82 24.479,83 7.432,84 117.572,85 7.74,86 0.862,87 0.992,88 18.368,89 5.855,90 138.093,91 6.599,92 0.85,93 0.944,94 22.381,95 6.516,96 96.115,97 7.594,98 0.471,99 0.755,100 16.354,101 5.984,102 67.315,103 6.477,104 38,105 41,106 0.325,107 0.656,108 0.801,109 0.866,110 0.866,111 0.866,112 3.304,113 0.959,114 -3.44,115 -3.42,116 -3.27,119 39,120 1,124 1,142 6,143 2,144 2,145 1,151 1,152 1,155 1,166 4,172 5,174 4,175 7,183 6,186 2,187 15,195 4,198 2,199 13,207 1,211 5,212 12,223 7,224 5,232 2,236 6,237 3,245 2,250 7,258 3,263 8,271 4,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.286,282 10.915,283 9.631,284 17.205,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 9.723,291 8.46,292 4.479,293 14.274,294 3.469,295 1.55,296 0.708,297 0.33,298 0.33,299 0.33,300 3.976,303 1,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 42.824,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 58.5,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.531,342 3.775,343 6.526,344 4.026,345 3.061,346 4.484,348 10.265,349 2.954,350 4.235,351 3.08,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.765,360 2.648,361 5.731,362 3.308,363 2.327,364 3.234,366 7.143,367 2.279,368 3.504,369 2.291,370 5.134,371 3.016,372 2.046,373 2.875,375 6.019,376 1.98,377 3.047,378 1.934,379 4.694,380 2.577,381 1.619,382 2.319,384 4.396,385 1.541,386 3.011,387 1.899,388 4.19,389 2.528,390 1.545,391 2.111,393 3.739,394 1.514,395 2.914,396 1.546,397 3.917,398 2.234,399 1.236,400 2.012,402 3.045,403 1.234,404 2.678,405 1.354,406 3.769,407 2.175,408 1.196,409 1.744,411 2.846,412 1.168,413 2.585,414 1.106,415 3.587,416 2.05,417 1.063,418 1.585,420 2.705,421 1.048,422 2.154,423 1,424 3.245,425 1.647,426 0.701,427 0.986,428 1.614,429 0.661,430 1.824,431 0.89,432 3.011,433 1.204,434 0.255,435 0.378,436 0.586,437 0.242,438 1.251,439 0.513,440 2.745,441 0.88,442 -0.101,443 -0.13,445 -0.235,446 -0.099,447 1,448 0.402,449 2.312,450 0.277,451 -0.697,452 -0.851,454 -1.675,455 -0.678,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -1.158,463 -2,464 -0.777,465 12.167,466 0.468,467 0.869,468 0.033,469 38,470 1.462,471 21.5,472 0.827,473 16.5,474 0.635,475 17.465,476 0.672,477 28.033,478 0.684,479 30.891,480 1.188,481 7.604,482 0.292,483 4.699,484 0.181,485 0.192,486 0.068,487 0.304,493 0.325,494 1.229,495 0.735,496 1.234,497 0.574,498 0.94,499 0.586,500 1.139,501 0.698,502 0.862,503 0.486,504 0.784,505 0.871,506 1.267,507 1.237,508 1.296,509 0.678,510 1.069,511 1.398,512 1.183,513 1.434,514 1.311,515 1.381,516 1.18,517 1.285,518 0.899,519 1.051,520 0.948,521 1.433,522 0.942,523 0.818,524 1.094,525 0.981,526 1.067,527 0.737,528 1.064,529 1.094,530 0.634,531 0.976,532 0.683,533 1.121,534 0.825,535 1.164,536 0.93,537 1.083,538 1.01,539 1.197,540 1.015,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 27297,553 1.983,554 36.6,555 3,556 9,557 1,558 2,564 1.691,565 1.803,566 3.328,567 -0.608,568 1,569 1,573 77.447,574 1.889,575 3.808,576 4.65,577 5.028,578 5.028,579 5.028,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,587 1,588 1,590 1,591 219.66,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.33,606 1,607 0.85,608 126.848,609 0.287,610 -0.005,611 0.225,612 -0.091,613 -0.079,614 -0.028,615 0.211,616 -0.028,617 0.179,618 0.128,619 0.24,620 0.129,621 -0.079,622 -0.14,623 -0.149,624 -0.156,625 0.061,626 -0.119,627 -0.293,628 -0.187,629 -0.295,630 -0.216,631 -0.208,632 -0.217,633 -0.134,634 0.047,635 0.024,636 0.036,637 -0.247,638 0.028,639 0.294,640 -0.091,641 0.002,642 -0.12,643 0.387,644 -0.15,645 0.001,646 0.281,647 0.033,648 0.229,649 -0.03,650 0.166,651 -0.192,652 -0.03,653 -0.106,654 0.012,655 -0.14,656 0.025,657 4.945,658 5.72,659 0.577,660 20.982,661 1.032,662 1.13,663 2.208,664 4.877,665 0.69,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.678,678 373.43,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 8,705 1,709 4,711 16,725 1,731 41,733 21,734 1,735 28,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 15,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 26,852 1,859 1,870 9.8,873 2,876 2,877 14.417,878 8.083,879 5.611,880 2.18,881 3.791,882 1.539,883 0.977,884 4.766,885 10.828,886 3.738,887 4.428,888 5.006,889 5.565,890 6.046,891 6.374,892 6.656,893 6.942,894 6.904,895 7.237,896 0.857,897 43,898 9.899,900 4.601,901 8.24,902 17.484,904 14.182,905 2.74,906 71.25,909 1,910 176.567,911 119.852,912 41.556,914 95.06,916 5.807,917 114.044,918 271.626,919 41.556,920 22.892,922 71.712,923 93.566,924 38.949,925 13.915,926 141.253,927 50.747,928 176.567,929 155.6,930 95.06,931 5.807,933 176.567,934 44.313,935 50.747,937 37.096,938 87.124,939 37.188,941 176.567,942 136.616,943 119.852,945 5.807,946 176.567,947 12.823,948 109.451,950 128.386,951 176.567,952 136.616,953 119.852,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.116,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,973 1,974 18.05,975 6.865,976 3.48,977 0.772,978 129.782,979 12.505,980 4.145,984 0.581,987 433.034,988 41,990 -0.638,991 -4.028,993 47.29,995 1.382,996 3.978,999 42.313,1000 46.325,1001 0.353,1002 0.711,1003 0.868,1004 0.938,1005 0.938,1006 0.938,1007 4.984,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.115,1013 2.501,1014 6.739,1015 4.339,1016 6.263,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.131,1025 7.638,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.519,1031 4.154,1032 11.135,1033 5.954,1034 9.06,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.504,1040 4.506,1041 13.296,1042 6.544,1043 10.518,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.275,1049 5.948,1050 16.011,1051 7.913,1052 12.003,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.587,1058 6.556,1059 18.464,1060 8.828,1061 13.508,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.205,1067 7.794,1068 21.095,1069 10.045,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.65,1076 8.548,1077 23.65,1078 11.095,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.216,1085 9.67,1086 26.264,1087 12.262,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.717,1094 10.509,1095 28.857,1096 13.369,1097 2.327,1098 8.469,1099 24.702,1100 4.484,1101 15.369,1102 19.267,1103 11.563,1104 31.47,1105 14.523,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.793,1112 12.452,1113 34.077,1114 15.656,1115 1.619,1116 6.019,1117 28.717,1118 3.234,1119 17.835,1120 22.34,1121 13.468,1122 36.692,1123 16.81,1124 1.545,1125 4.396,1126 30.733,1127 2.875,1128 19.073,1129 23.879,1130 14.386,1131 39.306,1132 17.957,1133 7443,1134 14309,1135 17.8,1136 28.301,1137 43.274,1138 45.029,1139 44.82,1140 42.686,1141 42.682,1142 60.896,1143 5.225,1144 129.114,1145 41.117,1146 5.762,1147 6.741,1148 7.38,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.422,1156 1.545,1157 1.608,1158 1.601,1159 1.524,1160 1.524,1161 2.175,1162 0.187,1163 4.611,1164 1.468,1165 4.14,1166 4.172,1167 4.742,1168 4.085,1169 7.815,1170 4.023,1171 4.076,1172 4.084,1173 4.074,1174 3.954,1175 7.715,1176 3.963,1177 3.788,1178 3.788,1179 3.881,1180 3.612,1181 6.999,1182 3.565,1183 3.497,1184 3.542,1185 3.442,1186 3.322,1187 6.999,1188 3.318,1189 3.406,1190 3.44,1191 3.361,1192 3.15,1193 5.086,1194 3.195,1195 3.159,1196 3.216,1197 3.086,1198 2.918,1199 4.651,1200 2.913,1201 3.006,1202 3.086,1203 2.824,1204 2.767,1205 4.586,1206 2.772,1207 2.985,1208 3.076,1209 2.8,1210 2.678,1211 4.301,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.904,1238 1.867,1239 2,1240 2.053,1241 1.098,1242 2.036,1243 1.596,1244 1.583,1245 1.686,1246 1.856,1247 0.79,1248 1.831,1249 1.445,1250 1.425,1251 1.565,1252 1.699,1253 0.632,1254 1.648,1255 1.312,1256 1.259,1257 1.562,1258 1.582,1259 0.612,1260 1.588,1261 1.078,1262 1.011,1263 1.174,1264 1.328,1265 0.421,1266 1.377,1267 0.968,1268 0.881,1269 1.147,1270 1.25,1271 0.161,1272 1.259,1273 0.907,1274 0.84,1275 1.071,1276 1.245,1277 0.087,1278 1.235,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.842,1300 0.783,1305 27.787,1306 77.447,1307 156.111,1308 190.64,1309 206.15,1310 206.15,1311 206.15,1312 63.441,1313 7.037,1314 112.86,1315 121.24,1316 17,1317 12.557,1318 4.459,1319 3.807,1320 44.373,1321 96,1322 88,1323 0.226,1324 176.809,1325 300.49,1326 423.173,1327 10404,1329 18.897,1330 0.727,1331 0.569,1332 19.147,1333 14.79,1334 12.303,1335 0.439,1336 0.32,1337 7.482,1338 10.829,1339 7.147,1340 5.98,1341 13.091,1342 8.948,1343 11.747,1344 0.287,1345 0.181,1346 13.089,1347 7.44,1348 9.857,1349 0.183,1350 0.104,1351 11.243,1352 5.61,1353 7.415,1354 0.114,1355 0.055,1356 8.461,1357 3.582,1358 5.638,1359 0.074,1360 0.03,1361 6.475,1362 2.315,1363 0.353,1364 86.721,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 516.028,1370 196.866,1371 513.609,1372 684.63,1373 468,1374 164,1375 484.21,1376 231.32,1377 518.33,1378 747.99,1379 482,1380 6.018}
{0 CHEMBL1928523,1 2.018,2 10.963,3 3.99,4 15.918,5 106.206,6 11.032,7 0.552,8 3.856,9 3.941,10 3.883,11 3.445,12 5.096,13 3.419,14 4.354,15 4.479,16 4.256,17 3.823,18 5.867,19 3.8,20 4.53,21 4.652,22 4.338,23 3.964,24 5.943,25 3.912,26 4.679,27 4.828,28 4.254,29 3.906,30 6.09,31 3.854,32 4.592,33 4.777,34 4.167,35 3.746,36 5.922,37 3.701,38 4.464,39 4.62,40 4.051,41 3.653,42 6.182,43 3.625,44 4.501,45 4.711,46 3.888,47 3.603,48 5.917,49 3.545,50 4.235,51 4.406,52 3.698,53 3.501,54 5.563,55 3.443,56 0.232,57 0.676,58 3.986,59 3.758,60 18.237,61 3.528,62 0.567,63 1.023,64 9.353,65 5.914,66 80.121,67 5.844,68 0.534,69 1.201,70 23.591,71 8.301,72 45.104,73 7.244,74 0.852,75 1.249,76 27.168,77 9.559,78 110.857,79 7.988,80 0.901,81 1.101,82 21.915,83 8.327,84 123.649,85 7.522,86 0.89,87 1.008,88 17.854,89 6.59,90 140.606,91 6.349,92 0.897,93 0.967,94 26.398,95 7.31,96 99.139,97 7.489,98 0.525,99 0.759,100 16.093,101 6.234,102 71.977,103 6.244,104 51,105 43,106 0.348,107 0.691,108 0.817,109 0.866,110 0.866,111 0.866,112 3.34,113 1.018,114 -4.07,115 -4.02,116 -3.8,117 1,119 39,120 1,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,166 4,172 4,174 4,175 6,183 6,186 2,187 15,195 5,198 2,199 14,211 5,212 12,220 1,223 7,224 4,232 2,236 6,237 3,245 2,250 8,258 3,263 6,271 4,275 1090,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 12.559,283 9.767,284 17.813,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.136,292 4.558,293 15.085,294 3.339,295 1.344,296 0.613,297 0.33,298 0.33,299 0.33,300 4.011,304 1,305 1,306 624,307 4.183,310 64.287,311 174.529,314 119.432,318 1.525,319 44.34,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 60.25,331 296,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.551,342 3.775,343 6.538,344 4.043,345 3.083,346 4.51,348 10.316,349 2.959,350 4.235,351 3.145,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.772,360 2.768,361 5.731,362 3.313,363 2.349,364 3.239,366 7.146,367 2.279,368 3.708,369 2.633,370 5.279,371 3.207,372 2.291,373 3.165,375 6.594,376 2.04,377 3.294,378 2.246,379 4.797,380 2.765,381 1.842,382 2.566,384 5.184,385 1.629,386 3.021,387 1.907,388 4.682,389 2.556,390 1.595,391 2.191,393 4.382,394 1.523,395 2.915,396 1.836,397 4.212,398 2.344,399 1.39,400 2.016,402 3.711,403 1.282,404 2.79,405 1.473,406 3.914,407 2.234,408 1.235,409 1.884,411 3.014,412 1.233,413 2.628,414 1.214,415 3.768,416 2.066,417 1.078,418 1.628,420 2.794,421 1.061,422 2.169,423 1,424 3.286,425 1.656,426 0.711,427 1.009,428 1.678,429 0.667,430 1.868,431 0.897,432 3.105,433 1.248,434 0.318,435 0.46,436 0.737,437 0.284,438 1.251,439 0.637,440 2.767,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1,448 0.414,449 2.381,450 0.418,451 -0.372,452 -0.466,454 -0.887,455 -0.206,456 1,457 0.161,458 2.338,459 0.244,460 -0.723,461 -0.921,463 -1.998,464 -0.694,465 13.5,466 0.5,467 0.976,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 20.912,476 0.775,477 28.5,478 0.695,479 30.452,480 1.128,481 7.405,482 0.274,483 5.292,484 0.196,485 0.272,486 0.062,487 0.311,493 0.34,494 1.196,495 0.522,496 1.018,497 0.578,498 0.859,499 0.601,500 1.098,501 0.577,502 0.718,503 0.485,504 0.699,505 0.89,506 1.293,507 1.094,508 1.285,509 0.692,510 1.113,511 1.385,512 1.196,513 0.866,514 1.193,515 1.389,516 1.163,517 1.282,518 0.867,519 0.6,520 0.784,521 1.44,522 0.863,523 0.838,524 1.087,525 0.691,526 0.968,527 0.747,528 1.057,529 1.078,530 0.667,531 0.654,532 0.698,533 1.125,534 0.85,535 1.119,536 0.959,537 0.504,538 0.893,539 1.201,540 0.979,541 7.5,542 0.144,543 4.889,544 2.667,545 1.724,546 1.316,547 0.691,548 0.434,549 0.27,550 0.246,551 8404,552 34168,553 1.963,554 34.1,555 3,556 8,557 1,558 2,564 1.7,565 1.77,566 3.403,567 -0.586,569 1,573 82.747,574 2.018,575 4.013,576 4.745,577 5.028,578 5.028,579 5.028,580 2.863,581 4.459,582 4.729,583 3.564,584 1250.79,585 8.205,586 15991.6,588 1,591 219.66,592 1.74,593 4.637,594 0.259,595 0.007,596 0.114,597 0.059,598 0.044,599 0.039,600 0.021,601 0.016,602 0.011,603 0.01,604 0.579,605 0.33,606 1,607 0.857,608 133.776,609 0.27,610 0.005,611 0.042,612 -0.075,613 -0.079,614 -0.026,615 0.19,616 0.003,617 0.058,618 0.159,619 0.245,620 0.168,621 -0.097,622 -0.178,623 -0.145,624 -0.225,625 0.045,626 -0.198,627 -0.295,628 -0.201,629 -0.107,630 -0.191,631 -0.216,632 -0.216,633 -0.149,634 0.089,635 0.044,636 0.125,637 -0.253,638 0.106,639 0.254,640 -0.079,641 -0.043,642 -0.095,643 0.377,644 -0.158,645 0.007,646 0.261,647 0.012,648 0.17,649 -0.032,650 0.151,651 -0.149,652 -0.065,653 0.023,655 -0.139,656 0.04,657 4.959,658 5.758,659 0.556,660 22.532,661 1.038,662 1.126,663 2.839,664 8.061,665 0.723,666 3.401,667 3.784,668 4.043,669 4.234,670 4.407,671 4.466,672 4.443,673 4.443,674 4.357,675 4.394,676 6.419,677 0.703,678 452.32,679 3.401,680 4.977,681 5.838,682 6.735,683 7.616,684 8.515,685 9.402,686 10.301,687 11.19,688 12.09,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 41,733 21,734 1,735 29,736 1,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 7,784 11,785 2,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,843 1,844 2,848 27,852 1,859 1,869 1,870 9.8,873 2,876 2,877 15.25,878 8.143,879 5.778,880 2.16,881 3.808,882 1.533,883 0.981,884 5.333,885 10.955,886 3.761,887 4.463,888 5.036,889 5.603,890 6.104,891 6.465,892 6.746,893 7.022,894 7.022,895 7.349,896 1,897 45,898 10.269,900 4.762,901 8.228,902 18.154,904 14.744,905 2.728,906 73.667,909 1,910 164.795,911 113.43,912 87.51,914 95.06,916 5.807,917 153.577,918 259.855,919 41.556,920 22.892,922 62.236,923 93.566,924 42.004,925 13.915,926 129.482,927 96.701,928 164.795,929 149.179,930 95.06,931 5.807,932 45.954,933 164.795,934 44.313,935 50.747,937 37.096,938 80.703,939 37.188,940 45.954,941 164.795,942 136.616,943 159.384,945 5.807,946 164.795,947 15.878,948 99.975,949 45.954,950 128.386,951 164.795,952 136.616,953 159.384,955 0.605,956 0.356,957 0.172,958 0.091,959 21,960 11,961 0.116,962 5,963 1,964 1.133,965 3.715,966 229.216,967 0.133,968 15,969 124.382,973 1,974 19.488,975 7.389,976 3.88,977 0.749,978 129.782,979 10.66,980 4.175,984 1.399,987 460.796,988 42,990 -0.64,991 -4.043,993 47.408,995 1.375,996 3.988,999 42.542,1000 46.167,1001 0.377,1002 0.749,1003 0.886,1004 0.938,1005 0.938,1006 0.938,1007 5.017,1008 1.39,1009 5.894,1010 4.382,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.354,1016 6.304,1017 1.235,1018 7.53,1019 3.711,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.16,1025 7.683,1026 1.078,1027 9.281,1028 3.014,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 5.968,1034 9.105,1035 0.711,1036 11.103,1037 2.794,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.559,1043 10.562,1044 0.318,1045 12.973,1046 1.678,1047 8.288,1048 10.307,1049 5.948,1050 16.023,1051 7.923,1052 12.044,1053 -0.101,1054 14.878,1055 0.737,1056 9.301,1057 11.618,1058 6.556,1059 18.47,1060 8.837,1061 13.545,1062 -0.372,1063 16.81,1064 -0.233,1065 10.571,1066 13.231,1067 7.794,1068 21.1,1069 10.052,1070 3.535,1071 -0.723,1072 18.763,1073 -0.887,1074 11.716,1075 14.675,1076 8.548,1077 23.654,1078 11.101,1079 3.083,1080 13.729,1081 20.732,1082 -1.998,1083 12.953,1084 16.24,1085 9.67,1086 26.267,1087 12.267,1088 2.756,1089 10.316,1090 22.715,1091 4.803,1092 14.152,1093 17.74,1094 10.509,1095 28.859,1096 13.374,1097 2.349,1098 8.469,1099 24.709,1100 4.51,1101 15.386,1102 19.29,1103 11.563,1104 31.472,1105 14.528,1106 2.291,1107 7.146,1108 26.712,1109 3.917,1110 16.61,1111 20.816,1112 12.452,1113 34.079,1114 15.661,1115 1.842,1116 6.594,1117 28.721,1118 3.239,1119 17.849,1120 22.363,1121 13.468,1122 36.694,1123 16.814,1124 1.595,1125 5.184,1126 30.737,1127 3.165,1128 19.086,1129 23.902,1130 14.386,1131 39.307,1132 17.962,1133 8280,1134 16869,1135 18.205,1136 29.654,1137 45.067,1138 46.935,1139 46.947,1140 44.571,1141 44.368,1142 62.779,1143 5.225,1144 135.511,1145 41.793,1146 5.762,1147 6.741,1148 7.05,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.371,1156 1.554,1157 1.618,1158 1.619,1159 1.537,1160 1.53,1161 2.165,1162 0.18,1163 4.673,1164 1.441,1165 4.141,1166 4.171,1167 6.88,1168 4.085,1169 7.815,1170 4.026,1171 4.077,1172 4.083,1173 4.742,1174 3.971,1175 7.715,1176 3.969,1177 3.788,1178 3.788,1179 4.043,1180 3.613,1181 6.999,1182 3.566,1183 3.499,1184 3.541,1185 3.881,1186 3.384,1187 6.999,1188 3.352,1189 3.412,1190 3.436,1191 3.44,1192 3.151,1193 5.082,1194 3.196,1195 3.16,1196 3.215,1197 3.29,1198 2.925,1199 4.651,1200 2.917,1201 3.006,1202 3.086,1203 3.044,1204 2.783,1205 4.585,1206 2.778,1207 2.985,1208 3.076,1209 2.816,1210 2.678,1211 4.314,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.901,1238 1.87,1239 1.952,1240 2.036,1241 1.105,1242 2.019,1243 1.596,1244 1.584,1245 1.676,1246 1.855,1247 0.79,1248 1.83,1249 1.444,1250 1.427,1251 1.565,1252 1.698,1253 0.628,1254 1.647,1255 1.312,1256 1.259,1257 1.551,1258 1.582,1259 0.611,1260 1.587,1261 1.078,1262 1.011,1263 1.172,1264 1.327,1265 0.421,1266 1.377,1267 0.964,1268 0.885,1269 1.147,1270 1.25,1271 0.161,1272 1.259,1273 0.907,1274 0.84,1275 1.071,1276 1.223,1277 0.086,1278 1.219,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1288 3.349,1289 2.837,1300 0.779,1305 28.813,1306 82.747,1307 164.54,1308 194.54,1309 206.15,1310 206.15,1311 206.15,1312 68.219,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.614,1318 4.459,1319 3.807,1320 47.067,1321 104,1322 106,1323 0.221,1324 188.722,1325 319.77,1326 452.243,1327 11922,1328 2.4,1329 19.767,1330 0.732,1331 0.618,1332 21.017,1333 16.677,1334 12.696,1335 0.438,1336 0.339,1337 7.63,1338 10.66,1339 7.239,1340 6.031,1341 14.062,1342 9.841,1343 12.38,1344 0.288,1345 0.198,1346 14.539,1347 8.502,1348 10.193,1349 0.182,1350 0.11,1351 12.103,1352 6.132,1353 7.674,1354 0.113,1355 0.058,1356 9.19,1357 3.933,1358 5.88,1359 0.073,1360 0.032,1361 7.202,1362 2.621,1363 0.347,1364 97.456,1365 0.234,1366 25.848,1367 0.606,1368 144,1369 542.683,1370 268.736,1371 575.833,1372 756.02,1373 524,1374 171,1375 507.943,1376 267.692,1377 555.139,1378 801.84,1379 516,1380 6}
{0 CHEMBL1928524,1 2.018,2 10.333,3 3.99,4 15.918,5 106.206,6 11.032,7 0.552,8 3.856,9 3.941,10 3.883,11 3.445,12 5.096,13 3.419,14 4.354,15 4.479,16 4.256,17 3.823,18 5.864,19 3.8,20 4.531,21 4.652,22 4.413,23 3.98,24 5.942,25 3.927,26 4.683,27 4.826,28 4.425,29 3.959,30 6.105,31 3.897,32 4.596,33 4.773,34 4.106,35 3.739,36 5.934,37 3.689,38 4.462,39 4.621,40 4.06,41 3.626,42 6.179,43 3.611,44 4.501,45 4.712,46 4.17,47 3.662,48 5.897,49 3.579,50 4.253,51 4.395,52 4.068,53 3.595,54 5.668,55 3.52,56 0.232,57 0.676,58 3.986,59 3.758,60 18.348,61 3.528,62 0.567,63 1.023,64 9.353,65 5.914,66 79.723,67 5.844,68 0.532,69 1.201,70 19.901,71 8.257,72 45.436,73 7.224,74 0.855,75 1.247,76 27.966,77 9.928,78 112.109,79 8.075,80 0.913,81 1.101,82 34.598,83 8.709,84 121.339,85 7.636,86 0.89,87 1.008,88 14.581,89 6.243,90 140.992,91 6.249,92 0.892,93 0.966,94 30.076,95 7.817,96 103.966,97 7.531,98 0.554,99 0.758,100 31.597,101 7.398,102 64.635,103 6.476,104 51,105 43,106 0.348,107 0.691,108 0.817,109 0.866,110 0.866,111 0.866,112 3.34,113 1.019,114 -4.07,115 -4.02,116 -3.8,117 1,119 39,120 1,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,166 4,172 4,174 4,175 6,183 5,186 2,187 15,195 6,198 2,199 13,207 1,211 5,212 12,223 7,224 6,232 2,236 6,237 1,245 2,250 9,258 1,263 8,271 4,275 1070,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 14.741,282 12.559,283 9.803,284 17.836,285 14.209,286 14.209,287 14.209,288 14.209,289 14.209,290 10.116,291 9.136,292 4.539,293 15.027,294 3.339,295 1.344,296 0.613,297 0.33,298 0.33,299 0.33,300 4.01,304 1,305 1,306 589,307 4.183,310 63.471,311 173.918,314 118.966,318 1.506,319 44.612,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 60.25,331 279,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.621,342 3.775,343 6.768,344 4.109,345 3.163,346 4.59,348 11.048,349 2.982,350 4.235,351 3.3,352 6.051,353 3.731,354 2.756,355 3.917,357 8.47,358 2.685,359 3.766,360 2.667,361 5.731,362 3.309,363 2.33,364 3.234,366 7.144,367 2.279,368 3.536,369 2.488,370 5.141,371 3.055,372 2.111,373 2.903,375 6.041,376 1.991,377 3.412,378 2.242,379 5.027,380 2.865,381 1.967,382 2.797,384 5.665,385 1.67,386 3.015,387 1.931,388 4.689,389 2.576,390 1.619,391 2.119,393 4.364,394 1.538,395 2.914,396 1.899,397 3.949,398 2.235,399 1.237,400 2.012,402 3.07,403 1.234,404 2.687,405 1.371,406 3.86,407 2.201,408 1.221,409 1.76,411 2.897,412 1.186,413 2.591,414 1.128,415 3.766,416 2.053,417 1.065,418 1.588,420 2.754,421 1.05,422 2.267,423 1,424 3.353,425 1.738,426 0.823,427 1.162,428 1.964,429 0.724,430 1.898,431 0.95,432 3.132,433 1.269,434 0.352,435 0.502,436 0.823,437 0.306,438 1.251,439 0.843,440 2.769,441 0.88,442 -0.101,443 -0.129,445 -0.234,446 -0.098,447 1.045,448 0.415,449 2.373,450 0.479,451 -0.319,452 -0.412,454 -0.729,455 -0.185,456 1,457 0.13,458 2.338,459 0.267,460 -0.7,461 -0.853,463 -1.809,464 -0.678,465 13.5,466 0.5,467 0.959,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 21.344,476 0.791,477 28.5,478 0.695,479 30.366,480 1.125,481 7.421,482 0.275,483 5.293,484 0.196,485 0.272,486 0.062,487 0.311,493 0.34,494 1.196,495 0.522,496 1.018,497 0.577,498 0.859,499 0.601,500 1.098,501 0.577,502 0.718,503 0.489,504 0.699,505 0.879,506 1.265,507 1.034,508 1.207,509 0.689,510 1.038,511 1.404,512 1.166,513 1.137,514 1.206,515 1.384,516 1.124,517 1.305,518 0.95,519 1.057,520 1.062,521 1.451,522 1.057,523 0.783,524 1.118,525 0.443,526 0.927,527 0.739,528 1.027,529 1.083,530 0.588,531 0.49,532 0.487,533 1.143,534 0.728,535 1.11,536 0.978,537 1.721,538 1.361,539 1.136,540 1.169,541 7,542 0.136,543 4.889,544 2.847,545 1.769,546 1.181,547 0.691,548 0.472,549 0.27,550 0.235,551 8244,552 32928,553 1.963,554 34.1,555 3,556 8,557 1,558 2,564 1.701,565 1.77,566 3.332,567 -0.586,569 1,573 82.747,574 2.018,575 4.013,576 4.745,577 5.028,578 5.028,579 5.028,580 2.732,581 4.459,582 4.731,583 3.507,584 1230.79,585 8.213,586 15703.4,588 1,591 219.66,592 1.74,593 4.637,594 0.241,595 0.006,596 0.114,597 0.062,598 0.043,599 0.036,600 0.021,601 0.016,602 0.01,603 0.01,604 0.559,605 0.33,606 1,607 0.857,608 133.293,609 0.27,610 0.005,611 0.042,612 -0.075,613 -0.078,614 -0.026,615 0.19,616 0.003,617 0.058,618 0.159,619 0.241,620 0.168,621 -0.086,622 -0.15,623 -0.083,624 -0.146,625 0.05,626 -0.121,627 -0.308,628 -0.171,629 -0.098,630 -0.129,631 -0.213,632 -0.162,633 -0.165,634 0.004,635 -0.11,636 -0.079,637 -0.267,638 -0.078,639 0.307,640 -0.11,641 0.031,642 -0.1,643 0.387,644 -0.135,645 0.002,646 0.342,647 0.179,648 0.386,649 -0.048,650 0.276,651 -0.116,652 -0.086,653 -0.14,654 -0.2,655 -0.084,656 -0.105,657 4.967,658 5.777,659 0.556,660 21.69,661 1.038,662 1.126,663 2.839,664 8.061,665 0.723,666 3.401,667 3.784,668 4.06,669 4.263,670 4.407,671 4.443,672 4.431,673 4.466,674 4.357,675 4.369,676 6.266,677 0.703,678 452.32,679 3.401,680 4.977,681 5.844,682 6.744,683 7.63,684 8.532,685 9.423,686 10.326,687 11.218,688 12.121,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 41,733 21,734 1,735 29,736 1,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 7,784 11,785 2,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,843 1,844 2,848 27,852 1,859 1,869 1,870 9.8,873 2,876 2,877 15.25,878 8.143,879 5.806,880 2.167,881 3.819,882 1.534,883 0.981,884 5.333,885 10.967,886 3.761,887 4.463,888 5.051,889 5.624,890 6.103,891 6.444,892 6.72,893 7.034,894 7.041,895 7.316,896 0.857,897 46,898 10.273,900 4.769,901 8.228,902 18.154,904 14.749,905 2.728,906 73.667,909 1,910 164.795,911 113.43,912 87.51,914 95.06,916 5.807,917 153.577,918 259.855,919 41.556,920 22.892,922 62.236,923 93.566,924 42.004,925 13.915,926 129.482,927 96.701,928 164.795,929 149.179,930 95.06,931 5.807,932 45.954,933 164.795,934 44.313,935 50.747,937 37.096,938 80.703,939 37.188,940 45.954,941 164.795,942 136.616,943 159.384,945 5.807,946 164.795,947 15.878,948 99.975,949 45.954,950 128.386,951 164.795,952 136.616,953 159.384,955 0.604,956 0.363,957 0.179,958 0.091,959 21,960 11,961 0.116,962 5,963 1,964 1.133,965 3.689,966 230.84,967 0.133,968 15,969 124.382,973 1,974 19.488,975 7.389,976 3.74,977 0.735,978 129.782,979 10.642,980 4.175,984 1.311,987 460.796,988 42,990 -0.641,991 -4.05,993 47.46,995 1.372,996 3.998,999 42.542,1000 46.167,1001 0.377,1002 0.749,1003 0.886,1004 0.938,1005 0.938,1006 0.938,1007 5.017,1008 1.237,1009 5.9,1010 4.364,1011 4.466,1012 5.15,1013 2.501,1014 6.808,1015 4.354,1016 6.304,1017 1.221,1018 7.543,1019 3.07,1020 4.369,1021 5.352,1022 2.361,1023 8.131,1024 4.16,1025 7.685,1026 1.065,1027 9.302,1028 2.897,1029 6.205,1030 7.565,1031 4.154,1032 11.217,1033 5.971,1034 9.111,1035 0.823,1036 11.133,1037 2.754,1038 6.909,1039 8.567,1040 4.506,1041 13.373,1042 6.567,1043 10.572,1044 0.352,1045 13.011,1046 1.964,1047 8.312,1048 10.33,1049 5.948,1050 16.09,1051 7.932,1052 12.059,1053 -0.101,1054 14.923,1055 0.823,1056 9.336,1057 11.654,1058 6.556,1059 18.536,1060 8.851,1061 13.565,1062 -0.319,1063 16.86,1064 -0.234,1065 10.61,1066 13.271,1067 7.794,1068 21.163,1069 10.067,1070 3.535,1071 -0.7,1072 18.817,1073 -0.729,1074 11.761,1075 14.725,1076 8.548,1077 23.711,1078 11.119,1079 3.163,1080 13.729,1081 20.788,1082 -1.809,1083 13,1084 16.294,1085 9.67,1086 26.319,1087 12.286,1088 2.756,1089 11.048,1090 22.772,1091 4.803,1092 14.203,1093 17.802,1094 10.509,1095 28.904,1096 13.395,1097 2.33,1098 8.47,1099 24.765,1100 4.59,1101 15.437,1102 19.356,1103 11.563,1104 31.511,1105 14.549,1106 2.111,1107 7.144,1108 26.767,1109 3.917,1110 16.662,1111 20.887,1112 12.452,1113 34.112,1114 15.683,1115 1.967,1116 6.041,1117 28.774,1118 3.234,1119 17.9,1120 22.438,1121 13.468,1122 36.722,1123 16.837,1124 1.619,1125 5.665,1126 30.787,1127 2.903,1128 19.136,1129 23.98,1130 14.386,1131 39.331,1132 17.984,1133 8127,1134 16419,1135 18.205,1136 29.654,1137 45.046,1138 47.062,1139 47.156,1140 44.535,1141 44.359,1142 62.778,1143 5.225,1144 135.939,1145 41.799,1146 5.762,1147 6.741,1148 7.243,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.206,1156 1.553,1157 1.623,1158 1.626,1159 1.536,1160 1.53,1161 2.165,1162 0.18,1163 4.688,1164 1.441,1165 4.142,1166 4.171,1167 6.881,1168 4.086,1169 7.815,1170 4.028,1171 4.077,1172 4.083,1173 4.742,1174 3.978,1175 7.715,1176 3.972,1177 3.788,1178 3.788,1179 4.024,1180 3.613,1181 6.999,1182 3.566,1183 3.498,1184 3.542,1185 3.881,1186 3.335,1187 6.999,1188 3.325,1189 3.407,1190 3.439,1191 3.441,1192 3.15,1193 5.081,1194 3.195,1195 3.16,1196 3.215,1197 3.344,1198 2.93,1199 4.651,1200 2.921,1201 3.007,1202 3.084,1203 3.069,1204 2.886,1205 4.585,1206 2.832,1207 2.992,1208 3.073,1209 2.8,1210 2.678,1211 4.309,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.9,1238 1.87,1239 1.946,1240 2.035,1241 1.109,1242 2.018,1243 1.596,1244 1.583,1245 1.686,1246 1.856,1247 0.79,1248 1.831,1249 1.445,1250 1.425,1251 1.565,1252 1.699,1253 0.632,1254 1.647,1255 1.312,1256 1.259,1257 1.559,1258 1.578,1259 0.612,1260 1.586,1261 1.077,1262 1.011,1263 1.155,1264 1.327,1265 0.421,1266 1.376,1267 0.965,1268 0.883,1269 1.142,1270 1.25,1271 0.134,1272 1.259,1273 0.907,1274 0.84,1275 1.071,1276 1.234,1277 0.087,1278 1.224,1279 4.078,1281 5.442,1282 2.398,1283 7,1284 4.727,1285 8.646,1286 6.843,1287 10.338,1288 3.423,1289 2.835,1300 0.777,1305 28.813,1306 82.747,1307 164.54,1308 194.54,1309 206.15,1310 206.15,1311 206.15,1312 68.844,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.643,1318 4.459,1319 3.807,1320 47.008,1321 102,1322 85,1323 0.226,1324 188.722,1325 319.77,1326 452.243,1327 11920,1328 2.4,1329 19.767,1330 0.732,1331 0.618,1332 21.017,1333 16.677,1334 12.713,1335 0.438,1336 0.34,1337 7.636,1338 10.703,1339 7.248,1340 6.04,1341 14.079,1342 9.847,1343 12.284,1344 0.286,1345 0.196,1346 14.368,1347 8.413,1348 10.264,1349 0.18,1350 0.111,1351 12.324,1352 6.313,1353 7.894,1354 0.113,1355 0.06,1356 9.689,1357 4.21,1358 5.886,1359 0.073,1360 0.032,1361 7.225,1362 2.605,1363 0.353,1364 97.557,1365 0.234,1366 25.737,1367 0.625,1368 144,1369 542.683,1370 268.736,1371 575.663,1372 756.64,1373 524,1374 172,1375 508.943,1376 274.345,1377 555.923,1378 805.47,1379 517,1380 6}
{0 CHEMBL1928525,1 2.018,2 10.37,3 3.99,4 15.918,5 106.206,6 11.032,7 0.552,8 3.856,9 3.941,10 3.883,11 3.445,12 5.096,13 3.419,14 4.354,15 4.479,16 4.256,17 3.823,18 5.867,19 3.8,20 4.53,21 4.652,22 4.323,23 3.973,24 5.942,25 3.917,26 4.679,27 4.828,28 4.254,29 3.906,30 6.084,31 3.854,32 4.594,33 4.775,34 4.279,35 3.766,36 5.936,37 3.72,38 4.467,39 4.617,40 4.079,41 3.653,42 6.19,43 3.626,44 4.499,45 4.713,46 3.877,47 3.589,48 5.907,49 3.537,50 4.238,51 4.405,52 4.04,53 3.58,54 5.549,55 3.489,56 0.232,57 0.676,58 3.986,59 3.758,60 18.237,61 3.528,62 0.567,63 1.023,64 9.353,65 5.914,66 80.232,67 5.844,68 0.531,69 1.201,70 22.775,71 8.42,72 44.687,73 7.28,74 0.852,75 1.249,76 27.168,77 9.559,78 111.414,79 7.988,80 0.905,81 1.101,82 23.13,83 8.392,84 123.991,85 7.53,86 0.897,87 1.008,88 22.758,89 6.7,90 139.005,91 6.378,92 0.893,93 0.967,94 22.309,95 7.082,96 100.526,97 7.424,98 0.523,99 0.759,100 23.86,101 6.97,102 75.416,103 6.351,104 51,105 43,106 0.348,107 0.691,108 0.817,109 0.866,110 0.866,111 0.866,112 3.34,113 1.018,114 -4.07,115 -4.02,116 -3.8,117 1,119 39,120 1,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,166 4,172 3,174 4,175 7,183 8,186 2,187 14,195 3,198 2,199 13,207 2,211 5,212 12,223 7,224 5,232 2,236 6,237 4,245 2,250 5,258 3,263 10,271 2,275 1083,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 12.559,283 9.769,284 17.817,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.136,292 4.562,293 15.079,294 3.339,295 1.344,296 0.613,297 0.33,298 0.33,299 0.33,300 4.011,304 1,305 1,306 591,307 4.183,310 64.287,311 174.415,314 119.432,318 1.542,319 44.42,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 60.25,331 280,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.554,342 3.775,343 6.543,344 4.047,345 3.086,346 4.512,348 10.344,349 2.961,350 4.235,351 3.154,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.767,360 2.741,361 5.731,362 3.31,363 2.335,364 3.236,366 7.144,367 2.279,368 3.66,369 2.631,370 5.168,371 3.157,372 2.254,373 3.093,375 6.226,376 2.015,377 3.402,378 2.263,379 4.95,380 2.872,381 1.949,382 2.742,384 5.706,385 1.695,386 3.011,387 1.915,388 4.694,389 2.571,390 1.615,391 2.119,393 4.398,394 1.533,395 2.914,396 1.89,397 4.14,398 2.235,399 1.255,400 2.012,402 3.421,403 1.234,404 2.71,405 1.375,406 3.911,407 2.216,408 1.234,409 1.799,411 3.006,412 1.194,413 2.622,414 1.189,415 3.768,416 2.063,417 1.079,418 1.628,420 2.792,421 1.057,422 2.215,423 1,424 3.306,425 1.718,426 0.78,427 1.083,428 1.819,429 0.711,430 1.865,431 0.942,432 3.1,433 1.244,434 0.31,435 0.451,436 0.72,437 0.28,438 1.251,439 0.679,440 2.765,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1.01,448 0.413,449 2.376,450 0.48,451 -0.346,452 -0.438,454 -0.805,455 -0.2,456 1,457 0.149,458 2.342,459 0.156,460 -0.816,461 -1.01,463 -2,464 -0.755,465 13.5,466 0.5,467 0.976,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 21.052,476 0.78,477 28.5,478 0.695,479 30.43,480 1.127,481 7.405,482 0.274,483 5.291,484 0.196,485 0.272,486 0.062,487 0.311,493 0.34,494 1.196,495 0.522,496 1.018,497 0.578,498 0.859,499 0.601,500 1.098,501 0.577,502 0.718,503 0.484,504 0.699,505 0.919,506 1.254,507 1.105,508 1.238,509 0.693,510 1.088,511 1.385,512 1.196,513 0.866,514 1.193,515 1.397,516 1.163,517 1.264,518 0.887,519 0.738,520 0.836,521 1.431,522 0.865,523 0.829,524 1.141,525 0.916,526 1.112,527 0.746,528 1.141,529 1.056,530 0.656,531 0.432,532 0.611,533 1.125,534 0.796,535 1.153,536 0.872,537 0.579,538 0.734,539 1.225,540 0.892,541 7.5,542 0.153,543 4.889,544 2.542,545 1.804,546 1.316,547 0.651,548 0.441,549 0.295,550 0.215,551 8332,552 33616,553 1.963,554 34.1,555 3,556 8,557 1,558 2,564 1.701,565 1.77,566 3.359,567 -0.586,569 1,573 82.747,574 2.018,575 4.013,576 4.745,577 5.028,578 5.028,579 5.028,580 2.745,581 4.459,582 4.73,583 3.53,584 1239,585 8.21,586 15862,588 1,591 219.66,592 1.74,593 4.637,594 0.259,595 0.008,596 0.114,597 0.056,598 0.046,599 0.038,600 0.02,601 0.016,602 0.011,603 0.009,604 0.576,605 0.33,606 1,607 0.857,608 133.558,609 0.27,610 0.005,611 0.042,612 -0.075,613 -0.079,614 -0.026,615 0.19,616 0.003,617 0.058,618 0.159,619 0.245,620 0.168,621 -0.128,622 -0.138,623 -0.157,624 -0.177,625 0.044,626 -0.172,627 -0.295,628 -0.201,629 -0.107,630 -0.191,631 -0.223,632 -0.216,633 -0.127,634 0.068,635 0.06,636 0.113,637 -0.245,638 0.111,639 0.267,640 -0.134,641 -0.092,642 -0.196,643 0.375,644 -0.236,645 0.026,646 0.273,647 0.07,648 0.215,649 -0.029,650 0.198,651 -0.179,652 0.024,653 0.164,654 0.219,655 -0.163,656 0.139,657 4.962,658 5.766,659 0.556,660 22.189,661 1.038,662 1.126,663 2.839,664 8.061,665 0.723,666 3.401,667 3.784,668 4.043,669 4.234,670 4.419,671 4.454,672 4.431,673 4.466,674 4.357,675 4.357,676 6.342,677 0.703,678 452.32,679 3.401,680 4.977,681 5.838,682 6.735,683 7.617,684 8.515,685 9.403,686 10.302,687 11.192,688 12.091,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 41,733 21,734 1,735 29,736 1,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 7,784 11,785 2,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,843 1,844 2,848 27,852 1,859 1,869 1,870 9.8,873 2,876 2,877 15.25,878 8.143,879 5.778,880 2.16,881 3.804,882 1.532,883 0.981,884 5.333,885 10.952,886 3.761,887 4.463,888 5.036,889 5.603,890 6.112,891 6.46,892 6.73,893 7.037,894 7.041,895 7.304,896 0.857,897 45,898 10.27,900 4.764,901 8.228,902 18.154,904 14.744,905 2.728,906 73.667,909 1,910 164.795,911 113.43,912 87.51,914 95.06,916 5.807,917 153.577,918 259.855,919 41.556,920 22.892,922 62.236,923 93.566,924 42.004,925 13.915,926 129.482,927 96.701,928 164.795,929 149.179,930 95.06,931 5.807,932 45.954,933 164.795,934 44.313,935 50.747,937 37.096,938 80.703,939 37.188,940 45.954,941 164.795,942 136.616,943 159.384,945 5.807,946 164.795,947 15.878,948 99.975,949 45.954,950 128.386,951 164.795,952 136.616,953 159.384,955 0.605,956 0.357,957 0.172,958 0.094,959 21,960 11,961 0.116,962 5,963 1,964 1.133,965 3.707,966 229.671,967 0.133,968 15,969 124.382,973 1,974 19.488,975 7.389,976 3.88,977 0.741,978 129.782,979 10.646,980 4.165,984 1.387,987 460.796,988 42,990 -0.64,991 -4.046,993 47.43,995 1.374,996 3.992,999 42.542,1000 46.167,1001 0.377,1002 0.749,1003 0.886,1004 0.938,1005 0.938,1006 0.938,1007 5.017,1008 1.255,1009 5.894,1010 4.398,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.354,1016 6.304,1017 1.234,1018 7.53,1019 3.421,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.16,1025 7.683,1026 1.079,1027 9.281,1028 3.006,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 5.968,1034 9.105,1035 0.78,1036 11.103,1037 2.792,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.559,1043 10.562,1044 0.31,1045 12.973,1046 1.819,1047 8.288,1048 10.307,1049 5.948,1050 16.024,1051 7.923,1052 12.044,1053 -0.101,1054 14.878,1055 0.72,1056 9.301,1057 11.618,1058 6.556,1059 18.471,1060 8.838,1061 13.545,1062 -0.346,1063 16.81,1064 -0.233,1065 10.572,1066 13.231,1067 7.794,1068 21.102,1069 10.053,1070 3.535,1071 -0.816,1072 18.763,1073 -0.805,1074 11.716,1075 14.676,1076 8.548,1077 23.655,1078 11.102,1079 3.086,1080 13.729,1081 20.733,1082 -2,1083 12.954,1084 16.24,1085 9.67,1086 26.269,1087 12.268,1088 2.756,1089 10.344,1090 22.716,1091 4.803,1092 14.153,1093 17.741,1094 10.509,1095 28.86,1096 13.376,1097 2.335,1098 8.469,1099 24.71,1100 4.512,1101 15.387,1102 19.291,1103 11.563,1104 31.473,1105 14.529,1106 2.254,1107 7.144,1108 26.712,1109 3.917,1110 16.612,1111 20.818,1112 12.452,1113 34.08,1114 15.663,1115 1.949,1116 6.226,1117 28.722,1118 3.236,1119 17.85,1120 22.365,1121 13.468,1122 36.694,1123 16.816,1124 1.615,1125 5.706,1126 30.737,1127 3.093,1128 19.088,1129 23.904,1130 14.386,1131 39.308,1132 17.963,1133 8210,1134 16664,1135 18.205,1136 29.654,1137 45.071,1138 46.977,1139 46.951,1140 44.579,1141 44.378,1142 62.792,1143 5.225,1144 135.551,1145 41.798,1146 5.762,1147 6.741,1148 7.08,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.304,1156 1.554,1157 1.62,1158 1.619,1159 1.537,1160 1.53,1161 2.165,1162 0.18,1163 4.674,1164 1.441,1165 4.141,1166 4.171,1167 6.88,1168 4.086,1169 7.815,1170 4.026,1171 4.077,1172 4.083,1173 4.742,1174 3.972,1175 7.715,1176 3.97,1177 3.788,1178 3.788,1179 4.043,1180 3.613,1181 6.999,1182 3.566,1183 3.498,1184 3.541,1185 3.881,1186 3.375,1187 6.999,1188 3.347,1189 3.411,1190 3.436,1191 3.44,1192 3.151,1193 5.082,1194 3.196,1195 3.162,1196 3.215,1197 3.306,1198 2.934,1199 4.651,1200 2.926,1201 3.006,1202 3.084,1203 3.021,1204 2.814,1205 4.585,1206 2.794,1207 2.989,1208 3.074,1209 2.8,1210 2.678,1211 4.317,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.9,1238 1.87,1239 1.947,1240 2.037,1241 1.106,1242 2.019,1243 1.596,1244 1.583,1245 1.682,1246 1.856,1247 0.79,1248 1.831,1249 1.445,1250 1.426,1251 1.565,1252 1.699,1253 0.63,1254 1.648,1255 1.312,1256 1.259,1257 1.561,1258 1.581,1259 0.612,1260 1.588,1261 1.077,1262 1.011,1263 1.151,1264 1.327,1265 0.421,1266 1.376,1267 0.956,1268 0.89,1269 1.113,1270 1.25,1271 0.128,1272 1.259,1273 0.907,1274 0.84,1275 1.059,1276 1.196,1277 0.085,1278 1.19,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1288 3.373,1289 2.836,1300 0.778,1305 28.813,1306 82.747,1307 164.54,1308 194.54,1309 206.15,1310 206.15,1311 206.15,1312 68.273,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.615,1318 4.459,1319 3.807,1320 47.025,1321 103,1322 90,1323 0.223,1324 188.722,1325 319.77,1326 452.243,1327 11922,1328 2.4,1329 19.767,1330 0.732,1331 0.618,1332 21.017,1333 16.677,1334 12.696,1335 0.438,1336 0.339,1337 7.63,1338 10.65,1339 7.24,1340 6.03,1341 14.062,1342 9.841,1343 12.38,1344 0.288,1345 0.198,1346 14.539,1347 8.5,1348 10.199,1349 0.182,1350 0.11,1351 12.11,1352 6.16,1353 7.623,1354 0.112,1355 0.058,1356 9.108,1357 3.937,1358 5.988,1359 0.073,1360 0.033,1361 7.424,1362 2.696,1363 0.35,1364 97.456,1365 0.234,1366 25.795,1367 0.615,1368 144,1369 542.683,1370 268.736,1371 575.767,1372 756,1373 524,1374 171,1375 507.943,1376 266.584,1377 554.98,1378 801.58,1379 516,1380 8.42}
{0 CHEMBL1928526,1 1.855,2 10.37,3 3.387,4 11.47,5 103.424,6 8.806,7 0.552,8 3.91,9 4.008,10 3.765,11 3.458,12 5.124,13 3.435,14 4.418,15 4.564,16 4.089,17 3.821,18 5.879,19 3.805,20 4.587,21 4.726,22 4.17,23 3.973,24 5.966,25 3.938,26 4.777,27 4.949,28 4.081,29 3.961,30 6.134,31 3.91,32 4.696,33 4.895,34 3.974,35 3.798,36 5.968,37 3.741,38 4.551,39 4.733,40 3.946,41 3.673,42 6.205,43 3.643,44 4.561,45 4.791,46 3.737,47 3.608,48 5.935,49 3.554,50 4.28,51 4.46,52 3.594,53 3.545,54 5.564,55 3.488,56 0.225,57 0.723,58 9.276,59 4.081,60 13.521,61 4.439,62 0.535,63 1.094,64 15.756,65 6.186,66 78.337,67 7.305,68 0.464,69 1.296,70 21.113,71 7.982,72 33.645,73 8.343,74 0.784,75 1.37,76 29.801,77 9.502,78 101.589,79 9.949,80 0.838,81 1.199,82 27.24,83 8.473,84 110.598,85 9.5,86 0.88,87 1.068,88 21.787,89 6.626,90 138.604,91 8.106,92 0.865,93 1.004,94 24.548,95 6.746,96 95.957,97 8.27,98 0.46,99 0.81,100 16.6,101 6.016,102 63.496,103 6.64,104 51,105 43,106 0.315,107 0.642,108 0.774,109 0.857,110 0.857,111 0.857,112 3.34,113 0.969,114 -3.68,115 -3.65,116 -3.47,119 38.6,120 2,124 1,142 6,143 2,144 2,145 1,152 2,155 1,166 4,172 5,174 4,175 8,183 7,186 2,187 16,195 5,198 2,199 13,207 3,211 5,212 12,223 7,224 6,232 2,236 6,237 4,245 2,250 7,258 3,263 10,271 4,275 1077,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 14.741,282 13.34,283 9.79,284 17.711,285 14.203,286 14.203,287 14.203,288 14.203,289 14.203,290 10.114,291 9.931,292 4.529,293 14.751,294 3.604,295 1.683,296 0.904,297 0.415,298 0.415,299 0.415,300 4.01,303 1,304 1,305 1,306 591,307 4.183,310 63.471,311 174.062,314 118.966,318 1.542,319 43.408,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 60.5,331 280,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.604,342 3.775,343 6.683,344 4.103,345 3.141,346 4.574,348 10.76,349 3.02,350 4.236,351 3.185,352 6.051,353 3.731,354 2.756,355 3.917,357 8.47,358 2.685,359 3.78,360 2.667,361 5.733,362 3.34,363 2.364,364 3.243,366 7.251,367 2.303,368 3.715,369 2.483,370 5.608,371 3.274,372 2.289,373 3.17,375 7.09,376 2.25,377 3.131,378 2.144,379 4.714,380 2.652,381 1.695,382 2.326,384 4.564,385 1.612,386 3.047,387 1.904,388 4.443,389 2.533,390 1.549,391 2.249,393 3.909,394 1.523,395 2.915,396 1.595,397 4.087,398 2.329,399 1.355,400 2.015,402 3.658,403 1.314,404 2.725,405 1.538,406 3.915,407 2.233,408 1.235,409 1.807,411 3.006,412 1.233,413 2.601,414 1.146,415 3.768,416 2.056,417 1.067,418 1.593,420 2.786,421 1.054,422 2.299,423 1,424 3.329,425 1.816,426 0.858,427 1.209,428 1.958,429 0.82,430 1.893,431 0.928,432 3.134,433 1.286,434 0.343,435 0.491,436 0.803,437 0.322,438 1.251,439 0.775,440 2.768,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1.066,448 0.412,449 2.368,450 0.679,451 -0.302,452 -0.391,454 -0.68,455 -0.296,456 1,457 -0.08,458 2.343,459 0.241,460 -0.729,461 -0.89,463 -1.854,464 -0.706,465 12.667,466 0.469,467 0.959,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 19.703,476 0.73,477 29.333,478 0.667,479 31.856,480 1.18,481 7.672,482 0.284,483 5.041,484 0.187,485 0.224,486 0.066,487 0.332,493 0.323,494 1.243,495 0.745,496 1.241,497 0.574,498 0.962,499 0.558,500 1.151,501 0.658,502 0.853,503 0.471,504 0.758,505 0.901,506 1.283,507 1.228,508 1.272,509 0.671,510 1.056,511 1.354,512 1.141,513 1.377,514 1.25,515 1.318,516 1.144,517 1.197,518 0.965,519 1.055,520 1.024,521 1.346,522 1.044,523 0.763,524 1.107,525 0.922,526 1.052,527 0.698,528 1.033,529 1.117,530 0.645,531 0.955,532 0.655,533 1.122,534 0.781,535 1.232,536 0.856,537 1.014,538 0.872,539 1.226,540 0.91,541 7,542 0.153,543 5.111,544 2.694,545 1.769,546 1.236,547 0.651,548 0.441,549 0.295,550 0.215,551 8316,552 28764,553 1.963,554 38.6,555 3,556 9,558 2,560 3,564 1.701,565 1.77,566 3.356,567 -0.623,568 1,569 1,573 81.632,574 1.855,575 3.777,576 4.555,577 5.044,578 5.044,579 5.044,580 2.745,581 4.385,582 4.731,583 3.528,584 1238.37,585 8.209,586 15835.4,588 1,590 1,591 240.215,592 1.74,593 4.637,594 0.241,595 0.008,596 0.119,597 0.059,598 0.044,599 0.037,600 0.02,601 0.016,602 0.011,603 0.009,604 0.564,605 0.33,606 1,607 0.857,608 133.522,609 0.291,610 -0.007,611 0.224,612 -0.085,613 -0.079,614 -0.026,615 0.24,616 -0.043,617 0.237,618 0.148,619 0.253,620 0.179,621 -0.096,622 -0.122,623 -0.157,624 -0.142,625 0.06,626 -0.118,627 -0.27,628 -0.129,629 -0.268,630 -0.178,631 -0.185,632 -0.185,633 -0.094,634 -0.016,635 -0.016,636 -0.047,637 -0.215,638 -0.074,639 0.331,640 -0.121,641 0.071,642 -0.104,643 0.399,644 -0.094,646 0.284,647 0.051,648 0.239,649 -0.025,650 0.184,651 -0.233,652 0.091,653 -0.053,654 0.136,655 -0.157,656 0.091,657 4.953,658 5.774,659 0.556,660 22.033,661 1.027,662 1.13,663 2.452,664 6.011,665 0.683,666 3.401,667 3.784,668 4.06,669 4.248,670 4.407,671 4.454,672 4.431,673 4.454,674 4.369,675 4.382,676 6.336,677 0.666,678 387.46,679 3.401,680 4.977,681 5.844,682 6.742,683 7.628,684 8.528,685 9.419,686 10.319,687 11.212,688 12.113,689 11.4,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 44,733 21,734 1,735 29,737 46,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 17,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 27,852 1,859 1,870 9.1,873 2,876 2,877 15.25,878 9,879 5.806,880 2.386,881 3.83,882 1.536,883 0.973,884 5.004,885 10.978,886 3.761,887 4.463,888 5.051,889 5.616,890 6.1,891 6.456,892 6.729,893 7.025,894 7.041,895 7.324,896 0.857,897 46,898 10.281,900 4.757,901 8.201,902 18.258,904 14.825,905 2.701,906 72.917,909 1,910 200.109,911 122.386,912 41.556,914 95.06,916 5.807,917 116.579,918 295.169,919 41.556,920 31.717,922 62.665,923 93.566,924 38.949,925 4.901,926 176.567,927 50.747,928 200.109,929 158.135,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 45.921,938 80.833,939 37.188,941 200.109,942 136.616,943 122.386,945 5.807,946 200.109,947 15.58,948 109.229,950 128.386,951 200.109,952 136.616,953 122.386,955 0.605,956 0.363,957 0.176,958 0.09,959 21,960 11,961 0.109,962 5,963 1,964 1.133,965 3.698,966 230.221,967 0.133,968 15,969 122.382,973 1,974 19.021,975 7.103,976 3.566,977 0.788,978 129.782,979 10.912,980 4.244,984 1.521,987 459.111,988 42,990 -0.636,991 -4.037,993 47.453,995 1.395,996 4.007,999 45.196,1000 49.74,1001 0.34,1002 0.692,1003 0.834,1004 0.924,1005 0.924,1006 0.924,1007 5.017,1008 1.355,1009 5.9,1010 3.909,1011 4.466,1012 5.15,1013 2.501,1014 6.806,1015 4.387,1016 6.304,1017 1.235,1018 7.543,1019 3.658,1020 4.369,1021 5.352,1022 2.361,1023 8.124,1024 4.214,1025 7.685,1026 1.067,1027 9.302,1028 3.006,1029 6.205,1030 7.565,1031 4.154,1032 11.205,1033 6.015,1034 9.111,1035 0.858,1036 11.132,1037 2.786,1038 6.909,1039 8.567,1040 4.506,1041 13.353,1042 6.623,1043 10.572,1044 0.343,1045 13.008,1046 1.958,1047 8.31,1048 10.329,1049 5.948,1050 16.068,1051 7.98,1052 12.058,1053 -0.101,1054 14.918,1055 0.803,1056 9.332,1057 11.651,1058 6.556,1059 18.511,1060 8.903,1061 13.564,1062 -0.302,1063 16.853,1064 -0.233,1065 10.604,1066 13.266,1067 7.794,1068 21.139,1069 10.114,1070 3.535,1071 -0.729,1072 18.807,1073 -0.68,1074 11.753,1075 14.718,1076 8.548,1077 23.686,1078 11.167,1079 3.141,1080 13.729,1081 20.776,1082 -1.854,1083 12.99,1084 16.285,1085 9.67,1086 26.296,1087 12.333,1088 2.756,1089 10.76,1090 22.758,1091 4.803,1092 14.191,1093 17.792,1094 10.509,1095 28.883,1096 13.441,1097 2.364,1098 8.47,1099 24.75,1100 4.574,1101 15.424,1102 19.344,1103 11.563,1104 31.493,1105 14.595,1106 2.289,1107 7.251,1108 26.75,1109 3.917,1110 16.648,1111 20.874,1112 12.452,1113 34.096,1114 15.729,1115 1.695,1116 7.09,1117 28.757,1118 3.243,1119 17.885,1120 22.423,1121 13.468,1122 36.708,1123 16.882,1124 1.549,1125 4.564,1126 30.77,1127 3.17,1128 19.122,1129 23.965,1130 14.386,1131 39.319,1132 18.029,1133 8197,1134 15461,1135 18.205,1136 30.063,1137 45.053,1138 46.923,1139 47.154,1140 44.376,1141 44.375,1142 62.797,1143 5.225,1144 135.97,1145 42.782,1146 5.762,1147 6.741,1148 7.227,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.282,1156 1.554,1157 1.618,1158 1.626,1159 1.53,1160 1.53,1161 2.165,1162 0.18,1163 4.689,1164 1.475,1165 4.148,1166 4.182,1167 4.742,1168 4.086,1169 7.815,1170 4.03,1171 4.082,1172 4.085,1173 4.09,1174 3.971,1175 7.715,1176 3.973,1177 3.789,1178 3.79,1179 3.881,1180 3.613,1181 6.999,1182 3.567,1183 3.508,1184 3.553,1185 3.446,1186 3.364,1187 6.999,1188 3.357,1189 3.435,1190 3.472,1191 3.393,1192 3.151,1193 5.075,1194 3.196,1195 3.163,1196 3.242,1197 3.086,1198 3.002,1199 4.651,1200 2.988,1201 3.155,1202 3.213,1203 2.985,1204 2.917,1205 4.585,1206 2.908,1207 3.006,1208 3.082,1209 2.8,1210 2.678,1211 4.306,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.026,1234 2.11,1235 1.234,1236 2.108,1237 1.927,1238 1.891,1239 2.019,1240 2.072,1241 1.151,1242 2.056,1243 1.605,1244 1.588,1245 1.706,1246 1.858,1247 0.803,1248 1.834,1249 1.464,1250 1.45,1251 1.601,1252 1.703,1253 0.723,1254 1.658,1255 1.314,1256 1.26,1257 1.565,1258 1.592,1259 0.612,1260 1.6,1261 1.145,1262 1.07,1263 1.463,1264 1.368,1265 0.496,1266 1.412,1267 1.07,1268 0.994,1269 1.151,1270 1.326,1271 0.421,1272 1.375,1273 0.948,1274 0.862,1275 1.131,1276 1.25,1277 0.092,1278 1.259,1279 4.078,1281 5.442,1282 2.398,1283 7,1284 4.727,1285 8.645,1286 6.843,1287 10.334,1289 4.756,1300 0.79,1305 29.314,1306 81.632,1307 166.176,1308 200.441,1309 221.95,1310 221.95,1311 221.95,1312 68.056,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.636,1318 4.459,1319 3.807,1320 47.041,1321 103,1322 87,1323 0.224,1324 186.401,1325 317.79,1326 446.578,1327 11920,1329 19.767,1330 0.732,1331 0.582,1332 20.017,1333 15.713,1334 12.713,1335 0.438,1336 0.323,1337 7.904,1338 11.242,1339 7.499,1340 6.294,1341 13.502,1342 9.369,1343 12.274,1344 0.285,1345 0.183,1346 13.616,1347 7.873,1348 10.329,1349 0.181,1350 0.104,1351 11.716,1352 5.915,1353 7.787,1354 0.113,1355 0.055,1356 8.833,1357 3.796,1358 5.856,1359 0.072,1360 0.03,1361 6.692,1362 2.444,1363 0.35,1364 89.148,1365 0.234,1366 25.784,1367 0.616,1368 144,1369 524.028,1370 203.199,1371 522.156,1372 698.14,1373 476,1374 172,1375 496.562,1376 239.653,1377 531.479,1378 768.07,1379 494,1380 5.796}
{0 CHEMBL1928527,1 1.855,2 10.963,3 3.728,4 13.894,5 103.624,6 8.806,7 0.552,8 3.91,9 4.008,10 3.765,11 3.458,12 5.124,13 3.435,14 4.418,15 4.565,16 4.086,17 3.826,18 5.881,19 3.809,20 4.582,21 4.717,22 4.156,23 3.974,24 5.963,25 3.931,26 4.775,27 4.955,28 4.064,29 3.931,30 6.121,31 3.88,32 4.674,33 4.878,34 3.984,35 3.765,36 5.96,37 3.726,38 4.524,39 4.688,40 3.947,41 3.685,42 6.2,43 3.657,44 4.557,45 4.78,46 3.738,47 3.626,48 5.933,49 3.565,50 4.315,51 4.51,52 3.529,53 3.521,54 5.603,55 3.461,56 0.225,57 0.723,58 9.276,59 4.081,60 13.521,61 4.439,62 0.541,63 1.092,64 15.819,65 6.19,66 78.255,67 7.288,68 0.434,69 1.286,70 20.642,71 8.216,72 34.181,73 8.631,74 0.794,75 1.352,76 30.583,77 9.481,78 99.379,79 10.073,80 0.867,81 1.175,82 27.439,83 7.947,84 114.726,85 8.837,86 0.85,87 1.061,88 19.842,89 6.368,90 134.814,91 7.519,92 0.833,93 1.001,94 23.976,95 6.985,96 90.767,97 8.535,98 0.478,99 0.818,100 18.541,101 6.273,102 66.665,103 7.18,104 51,105 43,106 0.315,107 0.649,108 0.774,109 0.827,110 0.857,111 0.857,112 3.34,113 0.968,114 -3.68,115 -3.65,116 -3.47,119 38.6,120 2,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 6,174 4,175 7,183 7,186 2,187 16,195 5,198 2,199 14,207 1,211 5,212 12,220 1,223 7,224 5,232 2,236 6,237 4,245 2,250 8,258 3,263 8,271 4,275 1090,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 13.34,283 9.767,284 17.644,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.931,292 4.558,293 14.751,294 3.604,295 1.64,296 0.906,297 0.597,298 0.415,299 0.415,300 4.011,303 1,304 1,305 1,306 624,307 4.183,310 64.287,311 174.529,314 119.432,318 1.525,319 43.264,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 60.5,331 296,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.551,342 3.775,343 6.538,344 4.049,345 3.083,346 4.51,348 10.316,349 2.977,350 4.235,351 3.11,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.772,360 2.658,361 5.731,362 3.332,363 2.349,364 3.239,366 7.146,367 2.309,368 3.708,369 2.488,370 5.279,371 3.281,372 2.291,373 3.165,375 6.594,376 2.264,377 3.294,378 2.21,379 4.797,380 2.807,381 1.842,382 2.566,384 5.184,385 1.771,386 3.021,387 1.906,388 4.682,389 2.556,390 1.595,391 2.191,393 4.382,394 1.524,395 2.915,396 1.807,397 4.212,398 2.363,399 1.39,400 2.016,402 3.711,403 1.349,404 2.79,405 1.465,406 3.914,407 2.234,408 1.235,409 1.884,411 3.014,412 1.233,413 2.628,414 1.202,415 3.768,416 2.067,417 1.078,418 1.628,420 2.794,421 1.065,422 2.169,423 1,424 3.286,425 1.658,426 0.711,427 1.009,428 1.678,429 0.671,430 1.868,431 0.896,432 3.105,433 1.267,434 0.318,435 0.46,436 0.737,437 0.301,438 1.251,439 0.591,440 2.767,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1,448 0.41,449 2.381,450 0.591,451 -0.372,452 -0.466,454 -0.887,455 -0.358,456 1,457 -0.101,458 2.338,459 0.255,460 -0.723,461 -0.921,463 -1.998,464 -0.707,465 12.667,466 0.469,467 0.976,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 19.546,476 0.724,477 29.333,478 0.667,479 31.817,480 1.178,481 7.644,482 0.283,483 5.053,484 0.187,485 0.224,486 0.066,487 0.332,493 0.323,494 1.243,495 0.745,496 1.241,497 0.574,498 0.962,499 0.567,500 1.094,501 0.664,502 0.823,503 0.468,504 0.738,505 0.851,506 1.362,507 1.239,508 1.365,509 0.679,510 1.15,511 1.346,512 1.153,513 1.35,514 1.237,515 1.302,516 1.115,517 1.275,518 0.859,519 1.026,520 0.894,521 1.392,522 0.894,523 0.803,524 1.151,525 1.005,526 1.13,527 0.73,528 1.136,529 1.063,530 0.707,531 0.952,532 0.729,533 1.103,534 0.85,535 1.176,536 0.921,537 1.046,538 0.948,539 1.18,540 0.943,541 7.5,542 0.144,543 4.889,544 2.667,545 1.724,546 1.316,547 0.691,548 0.434,549 0.27,550 0.246,551 8404,552 28936,553 1.963,554 38.6,555 6,556 8,557 1,558 2,564 1.7,565 1.77,566 3.403,567 -0.623,569 1,573 81.632,574 1.855,575 3.82,576 4.553,577 4.863,578 5.044,579 5.044,580 2.863,581 4.459,582 4.729,583 3.564,584 1250.79,585 8.205,586 15991.6,588 1,590 1,591 240.215,592 1.74,593 4.637,594 0.259,595 0.007,596 0.114,597 0.059,598 0.044,599 0.039,600 0.021,601 0.016,602 0.011,603 0.01,604 0.579,605 0.33,606 1,607 0.857,608 133.776,609 0.291,610 -0.007,611 0.224,612 -0.085,613 -0.079,614 -0.026,615 0.231,616 0.016,617 0.231,618 0.178,619 0.255,620 0.199,621 -0.065,622 -0.213,623 -0.174,624 -0.222,625 0.051,626 -0.199,627 -0.252,628 -0.156,629 -0.222,630 -0.165,631 -0.167,632 -0.148,633 -0.126,634 0.102,635 0.033,636 0.072,637 -0.226,638 0.061,639 0.301,640 -0.13,641 -0.042,642 -0.179,643 0.386,644 -0.224,645 0.03,646 0.214,647 0.041,648 0.18,649 -0.014,650 0.126,651 -0.193,652 -0.004,653 -0.066,654 0.052,655 -0.131,656 0.078,657 4.952,658 5.764,659 0.556,660 22.532,661 1.027,662 1.13,663 2.452,664 6.011,665 0.683,666 3.401,667 3.784,668 4.043,669 4.234,670 4.407,671 4.466,672 4.443,673 4.443,674 4.357,675 4.394,676 6.419,677 0.666,678 387.46,679 3.401,680 4.977,681 5.838,682 6.735,683 7.616,684 8.515,685 9.402,686 10.301,687 11.19,688 12.09,689 11.4,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 44,733 21,734 1,735 29,737 46,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 17,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 27,852 1,859 1,870 9.1,873 2,876 2,877 15.25,878 9,879 5.778,880 2.374,881 3.808,882 1.533,883 0.973,884 5.004,885 10.955,886 3.761,887 4.463,888 5.036,889 5.603,890 6.104,891 6.465,892 6.746,893 7.022,894 7.022,895 7.349,896 1,897 45,898 10.279,900 4.755,901 8.201,902 18.258,904 14.825,905 2.701,906 72.917,909 1,910 200.109,911 122.386,912 41.556,914 95.06,916 5.807,917 116.579,918 295.169,919 41.556,920 31.717,922 62.236,923 93.566,924 42.135,925 13.915,926 164.795,927 50.747,928 200.109,929 158.135,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 45.921,938 80.833,939 37.188,941 200.109,942 136.616,943 122.386,945 5.807,946 200.109,947 16.008,948 108.8,950 128.386,951 200.109,952 136.616,953 122.386,955 0.605,956 0.356,957 0.172,958 0.091,959 21,960 11,961 0.109,962 5,963 1,964 1.133,965 3.715,966 229.216,967 0.133,968 15,969 124.382,973 1,974 19.021,975 7.103,976 3.701,977 0.779,978 129.782,979 10.907,980 4.205,984 1.623,987 459.111,988 42,990 -0.636,991 -4.035,993 47.427,995 1.391,996 4,999 45.196,1000 49.74,1001 0.34,1002 0.7,1003 0.834,1004 0.891,1005 0.924,1006 0.924,1007 5.017,1008 1.39,1009 5.894,1010 4.382,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.39,1016 6.304,1017 1.235,1018 7.53,1019 3.711,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.223,1025 7.683,1026 1.078,1027 9.281,1028 3.014,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 6.013,1034 9.105,1035 0.711,1036 11.103,1037 2.794,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.612,1043 10.562,1044 0.318,1045 12.973,1046 1.678,1047 8.288,1048 10.307,1049 5.948,1050 16.023,1051 7.965,1052 12.044,1053 -0.101,1054 14.878,1055 0.737,1056 9.301,1057 11.618,1058 6.556,1059 18.47,1060 8.879,1061 13.545,1062 -0.372,1063 16.81,1064 -0.233,1065 10.571,1066 13.231,1067 7.794,1068 21.1,1069 10.088,1070 3.535,1071 -0.723,1072 18.763,1073 -0.887,1074 11.716,1075 14.675,1076 8.548,1077 23.654,1078 11.134,1079 3.083,1080 13.729,1081 20.732,1082 -1.998,1083 12.953,1084 16.24,1085 9.67,1086 26.267,1087 12.297,1088 2.756,1089 10.316,1090 22.715,1091 4.803,1092 14.152,1093 17.74,1094 10.509,1095 28.859,1096 13.401,1097 2.349,1098 8.469,1099 24.709,1100 4.51,1101 15.386,1102 19.29,1103 11.563,1104 31.472,1105 14.553,1106 2.291,1107 7.146,1108 26.712,1109 3.917,1110 16.61,1111 20.816,1112 12.452,1113 34.079,1114 15.685,1115 1.842,1116 6.594,1117 28.721,1118 3.239,1119 17.849,1120 22.363,1121 13.468,1122 36.694,1123 16.837,1124 1.595,1125 5.184,1126 30.737,1127 3.165,1128 19.086,1129 23.902,1130 14.386,1131 39.307,1132 17.983,1133 8280,1134 15585,1135 18.205,1136 30.063,1137 45.067,1138 46.85,1139 46.947,1140 44.363,1141 44.368,1142 62.779,1143 5.225,1144 135.511,1145 42.809,1146 5.762,1147 6.741,1148 7.05,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.371,1156 1.554,1157 1.616,1158 1.619,1159 1.53,1160 1.53,1161 2.165,1162 0.18,1163 4.673,1164 1.476,1165 4.146,1166 4.179,1167 4.742,1168 4.086,1169 7.815,1170 4.028,1171 4.08,1172 4.085,1173 4.084,1174 3.969,1175 7.715,1176 3.972,1177 3.789,1178 3.79,1179 3.881,1180 3.614,1181 6.999,1182 3.568,1183 3.525,1184 3.57,1185 3.453,1186 3.404,1187 6.999,1188 3.395,1189 3.459,1190 3.501,1191 3.416,1192 3.151,1193 5.08,1194 3.198,1195 3.182,1196 3.233,1197 3.122,1198 2.939,1199 4.651,1200 2.934,1201 3.006,1202 3.088,1203 2.848,1204 2.83,1205 4.585,1206 2.821,1207 2.996,1208 3.08,1209 2.8,1210 2.725,1211 4.322,1212 2.723,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.028,1234 2.11,1235 1.234,1236 2.108,1237 1.927,1238 1.892,1239 2.019,1240 2.068,1241 1.153,1242 2.054,1243 1.605,1244 1.588,1245 1.703,1246 1.858,1247 0.805,1248 1.834,1249 1.46,1250 1.448,1251 1.593,1252 1.701,1253 0.727,1254 1.652,1255 1.313,1256 1.259,1257 1.565,1258 1.584,1259 0.612,1260 1.594,1261 1.172,1262 1.079,1263 1.455,1264 1.456,1265 0.463,1266 1.469,1267 1.077,1268 1.011,1269 1.171,1270 1.326,1271 0.421,1272 1.376,1273 0.917,1274 0.84,1275 1.147,1276 1.25,1277 0.161,1278 1.259,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1289 4.79,1300 0.788,1305 29.314,1306 81.632,1307 168.076,1308 200.341,1309 213.95,1310 221.95,1311 221.95,1312 67.891,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.614,1318 4.459,1319 3.807,1320 47.067,1321 104,1322 106,1323 0.221,1324 186.401,1325 317.79,1326 446.578,1327 11922,1329 19.767,1330 0.732,1331 0.582,1332 20.017,1333 15.713,1334 12.696,1335 0.438,1336 0.323,1337 7.893,1338 11.226,1339 7.483,1340 6.289,1341 13.485,1342 9.359,1343 12.38,1344 0.288,1345 0.185,1346 13.723,1347 7.945,1348 10.193,1349 0.182,1350 0.104,1351 11.579,1352 5.847,1353 7.674,1354 0.113,1355 0.055,1356 8.72,1357 3.735,1358 5.88,1359 0.073,1360 0.03,1361 6.717,1362 2.446,1363 0.347,1364 89.084,1365 0.234,1366 25.848,1367 0.606,1368 144,1369 524.028,1370 202.866,1371 522.597,1372 697.22,1373 476,1374 171,1375 494.21,1376 238.487,1377 530.345,1378 764.64,1379 492,1380 6}
{0 CHEMBL1928528,1 1.855,2 10.333,3 3.728,4 13.894,5 103.624,6 8.806,7 0.552,8 3.91,9 4.008,10 3.765,11 3.458,12 5.125,13 3.435,14 4.418,15 4.565,16 4.086,17 3.826,18 5.879,19 3.809,20 4.583,21 4.717,22 4.17,23 3.981,24 5.958,25 3.941,26 4.778,27 4.947,28 4.099,29 3.968,30 6.133,31 3.921,32 4.726,33 4.927,34 3.984,35 3.814,36 5.999,37 3.755,38 4.582,39 4.782,40 3.946,41 3.667,42 6.212,43 3.638,44 4.533,45 4.752,46 3.79,47 3.63,48 5.908,49 3.578,50 4.318,51 4.474,52 3.617,53 3.617,54 5.65,55 3.544,56 0.225,57 0.723,58 9.276,59 4.081,60 13.632,61 4.439,62 0.541,63 1.092,64 15.819,65 6.19,66 77.699,67 7.288,68 0.437,69 1.289,70 20.788,71 8.216,72 35.809,73 8.636,74 0.776,75 1.378,76 29.635,77 9.503,78 98.76,79 9.943,80 0.861,81 1.242,82 27.772,83 8.527,84 109.941,85 9.6,86 0.934,87 1.089,88 23.624,89 6.662,90 147.061,91 8.328,92 0.847,93 0.996,94 22.608,95 6.489,96 92.788,97 7.73,98 0.398,99 0.861,100 19.586,101 7.132,102 50.441,103 7.508,104 51,105 43,106 0.315,107 0.649,108 0.774,109 0.827,110 0.857,111 0.857,112 3.34,113 0.969,114 -3.68,115 -3.65,116 -3.47,119 38.6,120 2,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 6,174 4,175 7,183 7,186 2,187 16,195 6,198 2,199 14,207 1,211 5,212 13,223 7,224 6,232 2,236 6,237 3,245 2,250 9,258 3,263 8,271 6,275 1070,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 14.741,282 13.34,283 9.803,284 17.701,285 14.209,286 14.209,287 14.209,288 14.209,289 14.209,290 10.116,291 9.931,292 4.539,293 14.744,294 3.604,295 1.64,296 0.906,297 0.597,298 0.415,299 0.415,300 4.01,303 1,304 1,305 1,306 589,307 4.183,310 63.471,311 173.918,314 118.966,318 1.506,319 43.423,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 60.5,331 279,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.255,341 4.621,342 3.775,343 6.768,344 4.133,345 3.163,346 4.59,348 11.048,349 3.069,350 4.235,351 3.212,352 6.051,353 3.731,354 2.756,355 3.917,357 8.47,358 2.685,359 3.766,360 2.656,361 5.731,362 3.31,363 2.33,364 3.234,366 7.144,367 2.281,368 3.536,369 2.349,370 5.141,371 3.099,372 2.111,373 2.903,375 6.041,376 2.086,377 3.412,378 2.14,379 5.027,380 2.931,381 1.967,382 2.797,384 5.665,385 1.89,386 3.015,387 1.929,388 4.689,389 2.576,390 1.619,391 2.119,393 4.364,394 1.538,395 2.914,396 1.899,397 3.949,398 2.235,399 1.237,400 2.012,402 3.07,403 1.234,404 2.687,405 1.368,406 3.86,407 2.207,408 1.221,409 1.76,411 2.897,412 1.201,413 2.591,414 1.12,415 3.766,416 2.054,417 1.065,418 1.588,420 2.754,421 1.052,422 2.267,423 1,424 3.353,425 1.768,426 0.823,427 1.162,428 1.964,429 0.776,430 1.898,431 0.912,432 3.132,433 1.295,434 0.352,435 0.502,436 0.823,437 0.331,438 1.251,439 0.766,440 2.769,441 0.88,442 -0.101,443 -0.129,445 -0.234,446 -0.098,447 1.045,448 0.412,449 2.373,450 0.658,451 -0.319,452 -0.412,454 -0.729,455 -0.311,456 1,457 -0.086,458 2.338,459 0.269,460 -0.7,461 -0.853,463 -1.809,464 -0.679,465 12.667,466 0.469,467 0.959,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 19.806,476 0.734,477 29.333,478 0.667,479 31.904,480 1.182,481 7.66,482 0.284,483 5.053,484 0.187,485 0.224,486 0.066,487 0.332,493 0.323,494 1.243,495 0.745,496 1.241,497 0.573,498 0.962,499 0.567,500 1.094,501 0.664,502 0.823,503 0.471,504 0.738,505 0.848,506 1.327,507 1.211,508 1.324,509 0.674,510 1.098,511 1.347,512 1.167,513 1.362,514 1.254,515 1.298,516 1.137,517 1.207,518 1.002,519 1.082,520 1.042,521 1.329,522 1.081,523 0.79,524 1.009,525 0.894,526 0.944,527 0.693,528 0.93,529 1.158,530 0.583,531 0.926,532 0.584,533 1.156,534 0.749,535 1.108,536 1.154,537 1.443,538 1.432,539 1.113,540 1.216,541 7,542 0.136,543 4.889,544 2.847,545 1.769,546 1.181,547 0.691,548 0.472,549 0.27,550 0.235,551 8244,552 28626,553 1.963,554 38.6,555 6,556 8,557 1,558 2,564 1.701,565 1.77,566 3.332,567 -0.623,569 1,573 81.632,574 1.855,575 3.82,576 4.553,577 4.863,578 5.044,579 5.044,580 2.732,581 4.459,582 4.731,583 3.507,584 1230.79,585 8.213,586 15703.4,588 1,590 1,591 240.215,592 1.74,593 4.637,594 0.241,595 0.006,596 0.114,597 0.062,598 0.043,599 0.036,600 0.021,601 0.016,602 0.01,603 0.01,604 0.559,605 0.33,606 1,607 0.857,608 133.293,609 0.291,610 -0.007,611 0.224,612 -0.085,613 -0.078,614 -0.026,615 0.231,616 0.016,617 0.231,618 0.178,619 0.253,620 0.199,621 -0.062,622 -0.177,623 -0.146,624 -0.18,625 0.058,626 -0.146,627 -0.265,628 -0.152,629 -0.257,630 -0.181,631 -0.171,632 -0.18,633 -0.112,634 -0.044,635 -0.053,636 -0.081,637 -0.224,638 -0.121,639 0.308,640 -0.033,641 0.121,642 -0.011,643 0.388,644 0.014,645 -0.025,646 0.369,647 0.065,648 0.312,649 -0.042,650 0.199,651 -0.175,652 -0.166,653 -0.303,654 -0.243,655 -0.082,656 -0.178,657 4.955,658 5.787,659 0.556,660 21.69,661 1.027,662 1.13,663 2.452,664 6.011,665 0.683,666 3.401,667 3.784,668 4.06,669 4.263,670 4.407,671 4.443,672 4.431,673 4.466,674 4.357,675 4.369,676 6.266,677 0.666,678 387.46,679 3.401,680 4.977,681 5.844,682 6.744,683 7.63,684 8.532,685 9.423,686 10.326,687 11.218,688 12.121,689 11.4,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 44,733 21,734 1,735 29,737 46,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 17,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 27,852 1,859 1,870 9.1,873 2,876 2,877 15.25,878 9,879 5.806,880 2.381,881 3.819,882 1.534,883 0.973,884 5.004,885 10.967,886 3.761,887 4.463,888 5.051,889 5.624,890 6.103,891 6.444,892 6.72,893 7.034,894 7.041,895 7.316,896 0.857,897 46,898 10.281,900 4.757,901 8.201,902 18.258,904 14.83,905 2.701,906 72.917,909 1,910 200.109,911 122.386,912 41.556,914 95.06,916 5.807,917 116.579,918 295.169,919 41.556,920 31.717,922 62.236,923 93.566,924 42.135,925 13.915,926 164.795,927 50.747,928 200.109,929 158.135,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 45.921,938 80.833,939 37.188,941 200.109,942 136.616,943 122.386,945 5.807,946 200.109,947 16.008,948 108.8,950 128.386,951 200.109,952 136.616,953 122.386,955 0.604,956 0.363,957 0.179,958 0.091,959 21,960 11,961 0.109,962 5,963 1,964 1.133,965 3.689,966 230.84,967 0.133,968 15,969 122.382,973 1,974 19.021,975 7.103,976 3.566,977 0.818,978 129.782,979 10.851,980 4.205,984 1.569,987 459.111,988 42,990 -0.635,991 -4.039,993 47.487,995 1.402,996 4.019,999 45.196,1000 49.74,1001 0.34,1002 0.7,1003 0.834,1004 0.891,1005 0.924,1006 0.924,1007 5.017,1008 1.237,1009 5.9,1010 4.364,1011 4.466,1012 5.15,1013 2.501,1014 6.808,1015 4.39,1016 6.304,1017 1.221,1018 7.543,1019 3.07,1020 4.369,1021 5.352,1022 2.361,1023 8.131,1024 4.223,1025 7.685,1026 1.065,1027 9.302,1028 2.897,1029 6.205,1030 7.565,1031 4.154,1032 11.217,1033 6.023,1034 9.111,1035 0.823,1036 11.133,1037 2.754,1038 6.909,1039 8.567,1040 4.506,1041 13.373,1042 6.637,1043 10.572,1044 0.352,1045 13.011,1046 1.964,1047 8.312,1048 10.33,1049 5.948,1050 16.09,1051 7.996,1052 12.059,1053 -0.101,1054 14.923,1055 0.823,1056 9.336,1057 11.654,1058 6.556,1059 18.536,1060 8.927,1061 13.565,1062 -0.319,1063 16.86,1064 -0.234,1065 10.61,1066 13.271,1067 7.794,1068 21.163,1069 10.143,1070 3.535,1071 -0.7,1072 18.817,1073 -0.729,1074 11.761,1075 14.725,1076 8.548,1077 23.711,1078 11.203,1079 3.163,1080 13.729,1081 20.788,1082 -1.809,1083 13,1084 16.294,1085 9.67,1086 26.319,1087 12.373,1088 2.756,1089 11.048,1090 22.772,1091 4.803,1092 14.203,1093 17.802,1094 10.509,1095 28.904,1096 13.488,1097 2.33,1098 8.47,1099 24.765,1100 4.59,1101 15.437,1102 19.356,1103 11.563,1104 31.511,1105 14.645,1106 2.111,1107 7.144,1108 26.767,1109 3.917,1110 16.662,1111 20.887,1112 12.452,1113 34.112,1114 15.783,1115 1.967,1116 6.041,1117 28.774,1118 3.234,1119 17.9,1120 22.438,1121 13.468,1122 36.722,1123 16.939,1124 1.619,1125 5.665,1126 30.787,1127 2.903,1128 19.136,1129 23.98,1130 14.386,1131 39.331,1132 18.089,1133 8127,1134 15357,1135 18.205,1136 30.063,1137 45.046,1138 46.895,1139 47.156,1140 44.351,1141 44.359,1142 62.778,1143 5.225,1144 135.939,1145 42.797,1146 5.762,1147 6.741,1148 7.243,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.255,1155 17.206,1156 1.553,1157 1.617,1158 1.626,1159 1.529,1160 1.53,1161 2.165,1162 0.18,1163 4.688,1164 1.476,1165 4.148,1166 4.181,1167 4.742,1168 4.086,1169 7.815,1170 4.031,1171 4.082,1172 4.085,1173 4.089,1174 3.975,1175 7.715,1176 3.975,1177 3.788,1178 3.789,1179 3.881,1180 3.613,1181 6.999,1182 3.566,1183 3.502,1184 3.547,1185 3.444,1186 3.341,1187 6.999,1188 3.337,1189 3.427,1190 3.468,1191 3.379,1192 3.15,1193 5.078,1194 3.196,1195 3.224,1196 3.295,1197 3.131,1198 3.028,1199 4.651,1200 3.021,1201 3.127,1202 3.195,1203 2.97,1204 2.912,1205 4.585,1206 2.898,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.314,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.255,1231 1.992,1232 1.997,1233 2.03,1234 2.11,1235 1.235,1236 2.108,1237 1.932,1238 1.898,1239 2.019,1240 2.069,1241 1.171,1242 2.055,1243 1.597,1244 1.584,1245 1.686,1246 1.856,1247 0.791,1248 1.832,1249 1.447,1250 1.426,1251 1.577,1252 1.7,1253 0.632,1254 1.651,1255 1.313,1256 1.259,1257 1.565,1258 1.597,1259 0.612,1260 1.598,1261 1.189,1262 1.107,1263 1.512,1264 1.422,1265 0.584,1266 1.46,1267 1.07,1268 0.996,1269 1.152,1270 1.323,1271 0.421,1272 1.374,1273 0.936,1274 0.854,1275 1.138,1276 1.25,1277 0.113,1278 1.259,1279 4.078,1281 5.442,1282 2.398,1283 7,1284 4.727,1285 8.646,1286 6.843,1287 10.338,1289 4.771,1300 0.792,1305 29.314,1306 81.632,1307 168.076,1308 200.341,1309 213.95,1310 221.95,1311 221.95,1312 68.235,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.643,1318 4.459,1319 3.807,1320 47.008,1321 102,1322 85,1323 0.226,1324 186.401,1325 317.79,1326 446.578,1327 11920,1329 19.767,1330 0.732,1331 0.582,1332 20.017,1333 15.713,1334 12.713,1335 0.438,1336 0.323,1337 7.899,1338 11.242,1339 7.493,1340 6.292,1341 13.502,1342 9.365,1343 12.284,1344 0.286,1345 0.184,1346 13.626,1347 7.893,1348 10.264,1349 0.18,1350 0.104,1351 11.65,1352 5.924,1353 7.894,1354 0.113,1355 0.055,1356 8.94,1357 3.868,1358 5.886,1359 0.073,1360 0.03,1361 6.723,1362 2.437,1363 0.353,1364 89.185,1365 0.234,1366 25.737,1367 0.625,1368 144,1369 524.028,1370 202.866,1371 522.28,1372 697.72,1373 476,1374 172,1375 495.21,1376 239.487,1377 530.8,1378 766.83,1379 493,1380 6}
{0 CHEMBL1928529,1 1.855,2 10.37,3 3.728,4 13.894,5 103.624,6 8.806,7 0.552,8 3.91,9 4.008,10 3.765,11 3.458,12 5.124,13 3.435,14 4.418,15 4.565,16 4.086,17 3.826,18 5.881,19 3.809,20 4.582,21 4.717,22 4.154,23 3.978,24 5.963,25 3.934,26 4.772,27 4.948,28 4.063,29 3.939,30 6.114,31 3.884,32 4.674,33 4.876,34 4.004,35 3.774,36 5.959,37 3.739,38 4.559,39 4.727,40 3.958,41 3.703,42 6.225,43 3.673,44 4.588,45 4.826,46 3.738,47 3.62,48 5.943,49 3.56,50 4.28,51 4.46,52 3.594,53 3.545,54 5.564,55 3.488,56 0.225,57 0.723,58 9.276,59 4.081,60 13.521,61 4.439,62 0.541,63 1.092,64 15.819,65 6.19,66 78.366,67 7.288,68 0.44,69 1.285,70 20.706,71 8.22,72 33.543,73 8.614,74 0.767,75 1.345,76 30.259,77 9.715,78 101.543,79 10.365,80 0.859,81 1.183,82 27.273,83 7.948,84 111.897,85 8.831,86 0.872,87 1.104,88 20.374,89 6.422,90 134.157,91 7.619,92 0.887,93 1.022,94 25.813,95 7.021,96 99.224,97 8.757,98 0.46,99 0.81,100 16.6,101 6.016,102 63.496,103 6.64,104 51,105 43,106 0.315,107 0.649,108 0.782,109 0.834,110 0.857,111 0.857,112 3.34,113 0.968,114 -3.68,115 -3.65,116 -3.47,119 38.6,120 2,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 6,174 4,175 7,183 8,186 2,187 15,195 4,198 2,199 14,207 2,211 5,212 13,223 7,224 6,232 2,236 6,237 4,245 2,250 7,258 3,263 10,271 4,275 1083,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 13.34,283 9.769,284 17.652,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.931,292 4.562,293 14.754,294 3.604,295 1.64,296 0.861,297 0.551,298 0.415,299 0.415,300 4.011,303 1,304 1,305 1,306 591,307 4.183,310 64.287,311 174.415,314 119.432,318 1.542,319 43.291,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 60.5,331 280,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.554,342 3.775,343 6.543,344 4.054,345 3.086,346 4.512,348 10.344,349 2.985,350 4.235,351 3.114,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.767,360 2.655,361 5.731,362 3.316,363 2.335,364 3.236,366 7.144,367 2.288,368 3.66,369 2.451,370 5.168,371 3.249,372 2.254,373 3.093,375 6.226,376 2.242,377 3.402,378 2.23,379 4.95,380 2.912,381 1.949,382 2.742,384 5.706,385 1.871,386 3.011,387 1.911,388 4.694,389 2.571,390 1.615,391 2.119,393 4.398,394 1.533,395 2.914,396 1.884,397 4.14,398 2.236,399 1.255,400 2.012,402 3.421,403 1.235,404 2.71,405 1.372,406 3.911,407 2.222,408 1.234,409 1.799,411 3.006,412 1.213,413 2.622,414 1.172,415 3.768,416 2.065,417 1.079,418 1.628,420 2.792,421 1.063,422 2.215,423 1,424 3.306,425 1.737,426 0.78,427 1.083,428 1.819,429 0.745,430 1.865,431 0.928,432 3.1,433 1.26,434 0.31,435 0.451,436 0.72,437 0.294,438 1.251,439 0.625,440 2.765,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1.01,448 0.41,449 2.376,450 0.626,451 -0.346,452 -0.438,454 -0.805,455 -0.336,456 1,457 -0.093,458 2.342,459 0.156,460 -0.816,461 -1.01,463 -2,464 -0.777,465 12.667,466 0.469,467 0.976,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 19.63,476 0.727,477 29.333,478 0.667,479 31.851,480 1.18,481 7.644,482 0.283,483 5.052,484 0.187,485 0.224,486 0.066,487 0.332,493 0.323,494 1.243,495 0.745,496 1.241,497 0.574,498 0.962,499 0.567,500 1.094,501 0.664,502 0.823,503 0.468,504 0.738,505 0.858,506 1.313,507 1.244,508 1.34,509 0.679,510 1.133,511 1.302,512 1.189,513 1.337,514 1.28,515 1.304,516 1.151,517 1.266,518 0.887,519 1.009,520 0.898,521 1.37,522 0.886,523 0.829,524 1.188,525 1.039,526 1.148,527 0.731,528 1.178,529 1.08,530 0.624,531 0.924,532 0.633,533 1.085,534 0.755,535 1.232,536 0.856,537 1.014,538 0.872,539 1.226,540 0.91,541 7.5,542 0.153,543 4.889,544 2.542,545 1.804,546 1.316,547 0.651,548 0.441,549 0.295,550 0.215,551 8332,552 28798,553 1.963,554 38.6,555 6,556 8,557 1,558 2,564 1.701,565 1.77,566 3.359,567 -0.623,569 1,573 81.632,574 1.855,575 3.82,576 4.599,577 4.908,578 5.044,579 5.044,580 2.745,581 4.459,582 4.73,583 3.53,584 1239,585 8.21,586 15862,588 1,590 1,591 240.215,592 1.74,593 4.637,594 0.259,595 0.008,596 0.114,597 0.056,598 0.046,599 0.038,600 0.02,601 0.016,602 0.011,603 0.009,604 0.576,605 0.33,606 1,607 0.857,608 133.558,609 0.291,610 -0.007,611 0.224,612 -0.085,613 -0.079,614 -0.026,615 0.231,616 0.016,617 0.231,618 0.178,619 0.256,620 0.199,621 -0.073,622 -0.163,623 -0.179,624 -0.196,625 0.051,626 -0.182,627 -0.224,628 -0.201,629 -0.213,630 -0.196,631 -0.168,632 -0.171,633 -0.121,634 0.077,635 0.046,636 0.068,637 -0.21,638 0.067,639 0.265,640 -0.16,641 -0.085,642 -0.215,643 0.355,644 -0.276,645 0.018,646 0.289,647 0.091,648 0.261,649 -0.011,650 0.225,651 -0.233,652 0.091,653 -0.053,654 0.136,655 -0.157,656 0.091,657 4.953,658 5.774,659 0.556,660 22.189,661 1.027,662 1.13,663 2.452,664 6.011,665 0.683,666 3.401,667 3.784,668 4.043,669 4.234,670 4.419,671 4.454,672 4.431,673 4.466,674 4.357,675 4.357,676 6.342,677 0.666,678 387.46,679 3.401,680 4.977,681 5.838,682 6.735,683 7.617,684 8.515,685 9.403,686 10.302,687 11.192,688 12.091,689 11.4,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 44,733 21,734 1,735 29,737 46,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 17,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 27,852 1,859 1,870 9.1,873 2,876 2,877 15.25,878 9,879 5.778,880 2.374,881 3.804,882 1.532,883 0.973,884 5.004,885 10.952,886 3.761,887 4.463,888 5.036,889 5.603,890 6.112,891 6.46,892 6.73,893 7.037,894 7.041,895 7.304,896 0.857,897 45,898 10.28,900 4.755,901 8.201,902 18.258,904 14.825,905 2.701,906 72.917,909 1,910 200.109,911 122.386,912 41.556,914 95.06,916 5.807,917 116.579,918 295.169,919 41.556,920 31.717,922 62.236,923 93.566,924 42.135,925 13.915,926 164.795,927 50.747,928 200.109,929 158.135,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 45.921,938 80.833,939 37.188,941 200.109,942 136.616,943 122.386,945 5.807,946 200.109,947 16.008,948 108.8,950 128.386,951 200.109,952 136.616,953 122.386,955 0.605,956 0.357,957 0.172,958 0.094,959 21,960 11,961 0.109,962 5,963 1,964 1.133,965 3.707,966 229.671,967 0.133,968 15,969 124.382,973 1,974 19.021,975 7.103,976 3.701,977 0.788,978 129.782,979 10.896,980 4.186,984 1.623,987 459.111,988 42,990 -0.636,991 -4.037,993 47.453,995 1.395,996 4.007,999 45.196,1000 49.74,1001 0.34,1002 0.7,1003 0.842,1004 0.899,1005 0.924,1006 0.924,1007 5.017,1008 1.255,1009 5.894,1010 4.398,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.39,1016 6.304,1017 1.234,1018 7.53,1019 3.421,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.223,1025 7.683,1026 1.079,1027 9.281,1028 3.006,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 6.014,1034 9.105,1035 0.78,1036 11.103,1037 2.792,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.613,1043 10.562,1044 0.31,1045 12.973,1046 1.819,1047 8.288,1048 10.307,1049 5.948,1050 16.024,1051 7.967,1052 12.044,1053 -0.101,1054 14.878,1055 0.72,1056 9.301,1057 11.618,1058 6.556,1059 18.471,1060 8.881,1061 13.545,1062 -0.346,1063 16.81,1064 -0.233,1065 10.572,1066 13.231,1067 7.794,1068 21.102,1069 10.091,1070 3.535,1071 -0.816,1072 18.763,1073 -0.805,1074 11.716,1075 14.676,1076 8.548,1077 23.655,1078 11.138,1079 3.086,1080 13.729,1081 20.733,1082 -2,1083 12.954,1084 16.24,1085 9.67,1086 26.269,1087 12.301,1088 2.756,1089 10.344,1090 22.716,1091 4.803,1092 14.153,1093 17.741,1094 10.509,1095 28.86,1096 13.407,1097 2.335,1098 8.469,1099 24.71,1100 4.512,1101 15.387,1102 19.291,1103 11.563,1104 31.473,1105 14.559,1106 2.254,1107 7.144,1108 26.712,1109 3.917,1110 16.612,1111 20.818,1112 12.452,1113 34.08,1114 15.691,1115 1.949,1116 6.226,1117 28.722,1118 3.236,1119 17.85,1120 22.365,1121 13.468,1122 36.694,1123 16.843,1124 1.615,1125 5.706,1126 30.737,1127 3.093,1128 19.088,1129 23.904,1130 14.386,1131 39.308,1132 17.99,1133 8210,1134 15482,1135 18.205,1136 30.063,1137 45.071,1138 46.872,1139 46.951,1140 44.378,1141 44.378,1142 62.792,1143 5.225,1144 135.551,1145 42.814,1146 5.762,1147 6.741,1148 7.08,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.304,1156 1.554,1157 1.616,1158 1.619,1159 1.53,1160 1.53,1161 2.165,1162 0.18,1163 4.674,1164 1.476,1165 4.146,1166 4.179,1167 4.742,1168 4.086,1169 7.815,1170 4.029,1171 4.08,1172 4.084,1173 4.084,1174 3.97,1175 7.715,1176 3.972,1177 3.789,1178 3.79,1179 3.881,1180 3.614,1181 6.999,1182 3.568,1183 3.521,1184 3.566,1185 3.451,1186 3.393,1187 6.999,1188 3.386,1189 3.459,1190 3.502,1191 3.412,1192 3.151,1193 5.081,1194 3.198,1195 3.205,1196 3.258,1197 3.146,1198 2.966,1199 4.651,1200 2.971,1201 3.057,1202 3.146,1203 2.871,1204 2.858,1205 4.585,1206 2.838,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.326,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.029,1234 2.11,1235 1.234,1236 2.108,1237 1.929,1238 1.894,1239 2.019,1240 2.068,1241 1.159,1242 2.054,1243 1.6,1244 1.586,1245 1.693,1246 1.857,1247 0.798,1248 1.833,1249 1.448,1250 1.433,1251 1.569,1252 1.699,1253 0.691,1254 1.648,1255 1.312,1256 1.259,1257 1.565,1258 1.587,1259 0.612,1260 1.589,1261 1.223,1262 1.132,1263 1.512,1264 1.481,1265 0.529,1266 1.506,1267 1.074,1268 1.005,1269 1.15,1270 1.325,1271 0.421,1272 1.375,1273 0.907,1274 0.84,1275 1.095,1276 1.25,1277 0.103,1278 1.259,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1289 4.791,1300 0.79,1305 29.314,1306 81.632,1307 168.076,1308 202.341,1309 215.95,1310 221.95,1311 221.95,1312 67.867,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.615,1318 4.459,1319 3.807,1320 47.025,1321 103,1322 90,1323 0.223,1324 186.401,1325 317.79,1326 446.578,1327 11922,1329 19.767,1330 0.732,1331 0.582,1332 20.017,1333 15.713,1334 12.696,1335 0.438,1336 0.323,1337 7.893,1338 11.223,1339 7.483,1340 6.288,1341 13.485,1342 9.359,1343 12.38,1344 0.288,1345 0.185,1346 13.723,1347 7.943,1348 10.199,1349 0.182,1350 0.105,1351 11.586,1352 5.86,1353 7.623,1354 0.112,1355 0.055,1356 8.669,1357 3.733,1358 5.988,1359 0.073,1360 0.03,1361 6.825,1362 2.484,1363 0.35,1364 89.084,1365 0.234,1366 25.795,1367 0.615,1368 144,1369 524.028,1370 202.866,1371 522.531,1372 697.2,1373 476,1374 171,1375 494.21,1376 238.32,1377 530.187,1378 764.44,1379 492,1380 6.959}
{0 CHEMBL1928530,1 1.823,2 11.036,3 4.184,4 17.503,5 108.225,6 8.542,7 0.533,8 3.967,9 4.069,10 3.792,11 3.512,12 5.155,13 3.483,14 4.484,15 4.638,16 4.109,17 3.882,18 5.906,19 3.855,20 4.664,21 4.819,22 4.187,23 4.037,24 5.993,25 3.985,26 4.82,27 4.991,28 4.105,29 4.014,30 6.147,31 3.952,32 4.773,33 4.986,34 4.051,35 3.87,36 6.005,37 3.819,38 4.649,39 4.828,40 4.022,41 3.795,42 6.261,43 3.761,44 4.677,45 4.912,46 3.785,47 3.718,48 6.007,49 3.645,50 4.393,51 4.601,52 3.631,53 3.601,54 5.622,55 3.535,56 0.225,57 0.761,58 10.433,59 4.412,60 12.855,61 4.999,62 0.534,63 1.156,64 17.746,65 6.773,66 77.289,67 8.291,68 0.448,69 1.364,70 24.36,71 9.066,72 37.344,73 10.181,74 0.711,75 1.425,76 31.291,77 10.227,78 91.11,79 11.282,80 0.856,81 1.295,82 30.699,83 8.963,84 108.956,85 10.65,86 0.901,87 1.209,88 23.433,89 6.976,90 136.237,91 8.743,92 0.881,93 1.132,94 27.235,95 7.548,96 94.053,97 9.68,98 0.489,99 0.89,100 19.975,101 6.567,102 67.164,103 7.805,104 54,105 44,106 0.306,107 0.648,108 0.819,109 0.86,110 0.86,111 0.86,112 3.375,113 0.992,114 -3.92,115 -3.87,116 -3.68,119 38.3,120 2,121 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 7,174 4,175 7,183 9,186 2,187 15,195 6,198 2,199 14,207 2,211 5,212 14,220 1,223 7,224 7,232 2,236 6,237 5,245 2,250 8,258 3,263 10,271 4,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.631,282 14.553,283 10.272,284 18.523,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.558,291 9.931,292 4.709,293 15.182,294 3.731,295 1.695,296 0.678,297 0.431,298 0.431,299 0.431,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 43.775,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 62.5,331 309,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.557,342 3.775,343 6.547,344 4.059,345 3.091,346 4.514,348 10.36,349 2.991,350 4.235,351 3.124,352 6.051,353 3.731,354 2.756,355 3.917,357 8.469,358 2.685,359 3.771,360 2.664,361 5.731,362 3.36,363 2.368,364 3.237,366 7.146,367 2.35,368 3.711,369 2.557,370 5.292,371 3.298,372 2.312,373 3.142,375 6.727,376 2.273,377 3.422,378 2.253,379 5.096,380 2.935,381 1.973,382 2.76,384 5.921,385 1.892,386 3.011,387 1.913,388 4.694,389 2.571,390 1.615,391 2.12,393 4.399,394 1.534,395 2.914,396 1.889,397 4.156,398 2.239,399 1.266,400 2.012,402 3.456,403 1.235,404 2.717,405 1.374,406 3.912,407 2.23,408 1.235,409 1.808,411 3.009,412 1.222,413 2.626,414 1.19,415 3.768,416 2.069,417 1.083,418 1.633,420 2.793,421 1.067,422 2.236,423 1,424 3.32,425 1.8,426 0.829,427 1.121,428 1.874,429 0.803,430 1.892,431 0.948,432 3.111,433 1.449,434 0.481,435 0.594,436 0.89,437 0.465,438 1.554,439 0.728,440 2.802,441 1.183,442 0.225,443 0.305,445 0.43,446 0.215,447 1.251,448 0.429,449 2.744,450 0.88,451 -0.101,452 -0.129,454 -0.235,455 -0.099,456 1,457 0.371,458 2.35,459 0.39,460 -0.586,461 -0.723,463 -1.265,464 -0.572,465 13.167,466 0.47,467 0.938,468 0.033,469 39,470 1.393,471 21.5,472 0.768,473 17.5,474 0.625,475 21.38,476 0.764,477 30.633,478 0.652,479 32.538,480 1.162,481 7.586,482 0.271,483 5.649,484 0.202,485 0.215,486 0.063,487 0.319,493 0.322,494 1.256,495 0.756,496 1.249,497 0.568,498 0.984,499 0.555,500 1.112,501 0.681,502 0.859,503 0.462,504 0.786,505 0.817,506 1.235,507 1.153,508 1.245,509 0.644,510 1.038,511 1.295,512 1.232,513 1.342,514 1.318,515 1.307,516 1.193,517 1.179,518 0.92,519 0.959,520 0.91,521 1.292,522 0.896,523 0.833,524 1.153,525 0.999,526 1.079,527 0.693,528 1.099,529 1.083,530 0.743,531 0.982,532 0.741,533 1.069,534 0.883,535 1.196,536 0.818,537 0.948,538 0.791,539 1.162,540 0.822,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 30511,553 1.964,554 40.4,555 8,556 8,557 1,558 2,564 1.711,565 1.778,566 3.432,567 -0.636,569 1,573 85.687,574 1.823,575 3.86,576 4.876,577 5.123,578 5.123,579 5.123,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 261.066,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 1,607 0.944,608 140.493,609 0.294,610 -0.008,611 0.221,612 -0.08,613 -0.071,614 -0.024,615 0.24,616 0.001,617 0.22,618 0.151,619 0.257,620 0.167,621 -0.032,622 -0.104,623 -0.073,624 -0.104,625 0.08,626 -0.057,627 -0.217,628 -0.219,629 -0.242,630 -0.232,631 -0.167,632 -0.224,633 -0.068,634 0.036,635 0.08,636 0.052,637 -0.176,638 0.067,639 0.258,640 -0.112,641 -0.046,642 -0.154,643 0.366,644 -0.195,646 0.2,647 -0.006,648 0.14,649 -0.025,650 0.067,651 -0.2,652 0.121,653 0.031,654 0.192,655 -0.127,656 0.18,657 4.958,658 5.82,659 0.536,660 23.745,661 1.023,662 1.131,663 2.689,664 7.232,665 0.677,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.656,678 401.49,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 10.6,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 47,733 21,734 1,735 30,737 49,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,758 1,761 14,762 4,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 19,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 28,852 1,854 1,859 1,870 8.5,873 2,876 2,877 15.75,878 9.5,879 6.111,880 2.749,881 3.814,882 1.526,883 0.969,884 5.5,885 11.062,886 3.784,887 4.474,888 5.055,889 5.62,890 6.134,891 6.504,892 6.791,893 7.088,894 7.127,895 7.397,896 1,897 47,898 10.664,900 4.903,901 8.158,902 19.075,904 15.487,905 2.658,906 74.417,909 1,910 223.651,911 124.921,912 41.556,914 95.06,916 5.807,917 119.113,918 318.711,919 41.556,920 31.717,921 2.535,922 62.236,923 93.566,924 42.135,925 13.915,926 188.338,927 50.747,928 223.651,929 160.669,930 95.06,931 5.807,933 223.651,934 44.313,935 50.747,937 48.455,938 80.833,939 37.188,941 223.651,942 136.616,943 124.921,945 5.807,946 223.651,947 18.543,948 108.8,950 128.386,951 223.651,952 136.616,953 124.921,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.122,962 6,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 130.606,973 1,974 19.993,975 7.702,976 3.939,977 0.806,978 129.782,979 11.063,980 4.22,984 1.728,987 485.187,988 43,990 -0.633,991 -4.041,993 47.595,995 1.409,996 4.033,999 48.08,1000 53.156,1001 0.328,1002 0.695,1003 0.878,1004 0.922,1005 0.922,1006 0.922,1007 5.037,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.162,1013 2.501,1014 6.81,1015 4.414,1016 6.317,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.223,1025 7.693,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.565,1031 4.154,1032 11.178,1033 6.039,1034 9.115,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.552,1040 4.506,1041 13.319,1042 6.627,1043 10.571,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.312,1049 5.948,1050 16.031,1051 7.989,1052 12.052,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.622,1058 6.556,1059 18.475,1060 8.896,1061 13.553,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.235,1067 7.794,1068 21.105,1069 10.108,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.679,1076 8.548,1077 23.657,1078 11.152,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.243,1085 9.67,1086 26.27,1087 12.315,1088 2.756,1089 10.36,1090 22.722,1091 4.803,1092 14.159,1093 17.744,1094 10.509,1095 28.861,1096 13.419,1097 2.368,1098 8.469,1099 24.714,1100 4.514,1101 15.392,1102 19.294,1103 11.563,1104 31.474,1105 14.57,1106 2.312,1107 7.146,1108 26.716,1109 3.917,1110 16.616,1111 20.82,1112 12.452,1113 34.08,1114 15.702,1115 1.973,1116 6.727,1117 28.725,1118 3.237,1119 17.854,1120 22.367,1121 13.468,1122 36.695,1123 16.853,1124 1.615,1125 5.921,1126 30.739,1127 3.142,1128 19.091,1129 23.906,1130 14.386,1131 39.308,1132 17.999,1133 9087,1134 16811,1135 18.898,1136 31.824,1137 45.946,1138 47.902,1139 48.352,1140 45.555,1141 45.538,1142 63.933,1143 5.225,1144 138.406,1145 43.974,1146 5.762,1147 6.741,1148 7.247,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.851,1156 1.532,1157 1.597,1158 1.612,1159 1.518,1160 1.518,1161 2.131,1162 0.174,1163 4.614,1164 1.466,1165 4.148,1166 4.181,1167 4.742,1168 4.086,1169 7.815,1170 4.031,1171 4.081,1172 4.085,1173 4.087,1174 3.975,1175 7.715,1176 3.975,1177 3.789,1178 3.791,1179 3.881,1180 3.615,1181 6.999,1182 3.57,1183 3.574,1184 3.629,1185 3.477,1186 3.45,1187 6.999,1188 3.44,1189 3.478,1190 3.525,1191 3.431,1192 3.154,1193 5.079,1194 3.202,1195 3.277,1196 3.328,1197 3.199,1198 3.101,1199 4.651,1200 3.089,1201 3.116,1202 3.187,1203 2.948,1204 2.898,1205 4.583,1206 2.881,1207 3.005,1208 3.082,1209 2.8,1210 2.708,1211 4.321,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.046,1234 2.11,1235 1.236,1236 2.108,1237 1.939,1238 1.905,1239 2.02,1240 2.074,1241 1.221,1242 2.063,1243 1.605,1244 1.589,1245 1.741,1246 1.858,1247 0.889,1248 1.834,1249 1.463,1250 1.446,1251 1.668,1252 1.699,1253 0.781,1254 1.687,1255 1.407,1256 1.325,1257 1.565,1258 1.663,1259 0.614,1260 1.647,1261 1.312,1262 1.259,1263 1.559,1264 1.577,1265 0.609,1266 1.588,1267 1.076,1268 1.008,1269 1.155,1270 1.326,1271 0.421,1272 1.376,1273 0.907,1274 0.84,1275 1.14,1276 1.25,1277 0.21,1278 1.259,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 4.899,1295 0.86,1300 0.798,1305 30.841,1306 85.687,1307 181.402,1308 229.191,1309 240.801,1310 240.801,1311 240.801,1312 72.268,1313 7.248,1314 112.86,1315 121.24,1316 17,1317 12.643,1318 4.459,1319 3.807,1320 49.743,1321 111,1322 109,1323 0.22,1324 195.993,1325 335.09,1326 469.983,1327 13573,1329 20.474,1330 0.731,1331 0.586,1332 20.724,1333 16.42,1334 13.234,1335 0.441,1336 0.331,1337 8.454,1338 11.761,1339 8.049,1340 6.759,1341 14.023,1342 9.92,1343 12.549,1344 0.285,1345 0.185,1346 13.892,1347 8.127,1348 10.623,1349 0.183,1350 0.107,1351 12.009,1352 6.177,1353 7.865,1354 0.112,1355 0.056,1356 8.911,1357 3.891,1358 6.123,1359 0.072,1360 0.03,1361 6.96,1362 2.569,1363 0.345,1364 92.312,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 528.028,1370 206.866,1371 526.244,1372 703.88,1373 480,1374 176,1375 500.21,1376 243.32,1377 535.276,1378 773.61,1379 498,1380 6}
{0 CHEMBL1928531,1 2.115,2 11.233,3 4.184,4 17.503,5 104.557,6 10.033,7 0.5,8 3.941,9 4.027,10 3.864,11 3.452,12 5.251,13 3.472,14 4.479,15 4.604,16 4.27,17 3.819,18 6.362,19 3.857,20 4.613,21 4.735,22 4.286,23 3.971,24 6.149,25 3.978,26 4.821,27 4.979,28 4.218,29 3.929,30 6.341,31 3.942,32 4.718,33 4.902,34 4.173,35 3.766,36 6.174,37 3.793,38 4.609,39 4.756,40 4.198,41 3.691,42 6.475,43 3.75,44 4.635,45 4.856,46 3.871,47 3.613,48 6.183,49 3.601,50 4.304,51 4.475,52 3.728,53 3.542,54 5.706,55 3.514,56 0.353,57 0.925,58 6.116,59 4.166,60 61.737,61 3.649,62 1.223,63 1.735,64 12.76,65 6.379,66 216.397,67 5.919,68 0.84,69 1.588,70 16.335,71 8.351,72 109.583,73 7.207,74 1.537,75 1.635,76 27.501,77 9.881,78 255.054,79 8.198,80 1.443,81 1.393,82 25.257,83 8.002,84 238.529,85 7.589,86 1.248,87 1.435,88 16.369,89 6.51,90 196.606,91 6.371,92 1.466,93 1.122,94 25.644,95 7.065,96 207.424,97 7.608,98 0.856,99 0.927,100 15.194,101 6.009,102 134.281,103 6.247,104 86,105 49,106 0.36,107 0.689,108 0.813,109 0.857,110 0.857,111 0.857,112 3.44,113 0.907,114 -4.3,115 -4.24,116 -4,119 38.6,120 1,124 1,132 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 5,174 4,175 7,183 6,186 2,187 15,195 4,198 2,199 13,207 1,211 5,212 12,223 7,224 5,232 2,236 6,237 3,245 2,250 7,258 3,263 8,271 4,275 1386,276 18.813,277 18.813,278 18.813,279 18.813,280 18.813,281 16.271,282 15.37,283 10.41,284 19.376,285 15.693,286 15.693,287 15.693,288 15.693,289 15.693,290 11.674,291 12.614,292 4.85,293 16.714,294 3.344,295 1.406,296 0.679,297 0.415,298 0.415,299 0.415,300 4.108,304 1,305 1,306 703,307 4.848,310 73.62,311 196.404,314 134.898,318 1.649,319 71.817,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 71,331 337,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 3.825,339 13.729,340 3.254,341 4.611,342 4.461,343 7.123,344 4.222,345 3.341,346 4.526,347 2.612,348 11.737,349 3.039,350 4.307,351 3.775,352 6.517,353 3.941,354 3.012,355 3.917,357 10.221,358 2.721,359 4.235,360 3.086,361 6.051,362 3.73,363 2.756,364 3.591,366 8.469,367 2.681,368 3.764,369 2.649,370 5.731,371 3.307,372 2.327,373 3.233,375 7.143,376 2.278,377 3.489,378 2.306,379 5.14,380 3.004,381 2.044,382 2.834,384 6.049,385 1.947,386 3.035,387 2.019,388 4.695,389 2.585,390 1.655,391 2.215,393 4.854,394 1.535,395 3.011,396 1.905,397 4.64,398 2.559,399 1.609,400 2.108,402 4.394,403 1.481,404 2.914,405 1.838,406 4.136,407 2.235,408 1.237,409 2.011,411 3.362,412 1.234,413 2.685,414 1.368,415 3.911,416 2.194,417 1.224,418 1.756,420 3.002,421 1.181,422 2.601,423 1.153,424 3.768,425 2.057,426 1.073,427 1.602,428 2.79,429 1.054,430 2.181,431 1,432 3.316,433 1.688,434 0.743,435 1.032,436 1.77,437 0.699,438 1.844,439 0.917,440 3.11,441 1.23,442 0.283,443 0.415,445 0.669,446 0.267,447 1.251,448 0.586,449 2.822,450 0.88,451 -0.101,452 -0.129,454 -0.234,455 -0.098,456 1,457 0.51,458 2.752,459 0.412,460 -0.548,461 -0.695,463 -1.407,464 -0.525,465 13.524,466 0.451,467 1.264,468 0.042,469 40.75,470 1.358,471 21.5,472 0.717,473 19.25,474 0.642,475 22.852,476 0.762,477 33.876,478 0.77,479 38.218,480 1.274,481 8.283,482 0.276,483 5.625,484 0.187,485 0.236,486 0.099,487 0.311,490 3,493 0.448,494 1.021,495 0.676,496 1.233,497 0.612,498 0.942,499 0.475,500 0.804,501 0.616,502 0.816,503 0.418,504 0.745,505 0.748,506 1.064,507 1.16,508 1.329,509 0.61,510 1.131,511 1.237,512 1.063,513 1.434,514 1.267,515 1.202,516 1.212,517 1.013,518 0.752,519 1.012,520 0.891,521 1.146,522 0.915,523 0.771,524 1.051,525 0.909,526 1.149,527 0.724,528 1.136,529 0.973,530 0.534,531 1.06,532 0.622,533 0.997,534 0.852,535 0.718,536 0.524,537 0.921,538 0.855,539 0.842,540 0.966,541 9.5,542 0.202,543 5.778,544 2.917,545 2.004,546 1.788,547 0.899,548 0.472,549 0.369,550 0.355,551 10921,552 50653,553 1.921,554 31.8,555 3,556 8,557 1,558 2,564 1.728,565 1.714,566 3.46,567 -0.561,569 1,573 93.061,574 2.115,575 4.053,576 4.78,577 5.044,578 5.044,579 5.044,580 2.867,581 4.39,582 4.883,583 3.655,584 1589.79,585 8.514,586 22119.3,588 1,590 1,591 240.215,592 1.831,593 4.769,594 0.297,595 0.007,596 0.118,597 0.057,598 0.045,599 0.044,600 0.021,601 0.015,602 0.013,603 0.011,604 0.628,605 0.17,606 1,607 0.945,608 154.134,609 0.119,610 -0.035,611 0.17,612 -0.083,613 -0.085,614 -0.028,615 0.345,616 0.228,617 0.223,618 0.187,619 0.376,620 0.163,621 -0.09,622 -0.161,623 -0.181,624 -0.196,625 0.035,626 -0.169,627 -0.303,628 -0.161,629 -0.338,630 -0.191,631 -0.234,632 -0.213,633 -0.097,634 0.051,635 0.045,636 0.065,637 -0.211,638 0.089,639 0.139,640 -0.157,641 0.016,642 -0.22,643 0.192,644 -0.223,645 -0.042,646 0.24,648 0.261,649 -0.079,650 0.198,651 0.02,652 0.176,653 0.044,654 0.135,655 -0.075,656 0.114,657 5.805,658 5.756,659 0.5,660 26.547,661 1.062,662 1.154,663 3.074,664 9.45,665 0.679,666 3.497,667 3.912,668 4.143,669 4.317,670 4.522,671 4.644,672 4.654,673 4.654,674 4.625,675 4.625,676 6.899,677 0.692,678 441.43,679 3.497,680 5.094,681 5.953,682 6.862,683 7.745,684 8.652,685 9.541,686 10.448,687 11.34,688 12.247,689 11.4,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 44,733 21,734 1,735 32,737 46,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 2,757 1,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,779 3,781 14,782 10,784 13,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,846 3,848 30,852 1,859 1,860 1,869 3,870 9.1,873 2,876 2,877 17.5,878 8.679,879 6.278,880 2.294,881 3.827,882 1.515,883 0.974,884 5.59,885 11.251,886 3.829,887 4.53,888 5.093,889 5.652,890 6.177,891 6.586,892 6.902,893 7.183,894 7.28,895 7.562,896 1,897 51,898 11.982,900 6.144,901 8.706,902 19.506,904 15.919,905 3.206,906 96.167,909 1,910 164.795,911 121.32,912 41.556,914 95.06,915 44.88,916 5.807,917 115.513,918 259.855,919 86.436,920 22.892,922 62.236,923 93.566,924 87.015,925 13.915,926 129.482,927 58.506,928 164.795,929 157.069,930 139.94,931 5.807,933 164.795,934 89.193,935 50.747,937 44.855,938 80.833,939 37.188,941 209.676,942 136.616,943 121.32,945 5.807,946 172.555,947 16.008,948 99.975,950 173.266,951 164.795,952 181.496,953 121.32,955 0.616,956 0.352,957 0.161,958 0.087,959 24,960 13,961 0.109,962 5,963 1,964 1.133,965 3.877,966 266.982,967 0.133,968 15,969 138.452,973 1,974 21.753,975 7.71,976 4.329,977 0.075,978 174.662,979 7.486,980 3.9,984 -1.18,987 467.612,988 45,990 -0.723,991 -4.24,993 47.399,995 1.048,996 3.788,999 46.734,1000 50.759,1001 0.387,1002 0.742,1003 0.876,1004 0.924,1005 0.924,1006 0.924,1007 5.112,1008 1.609,1009 6.047,1010 4.854,1011 4.595,1012 5.218,1013 3.467,1014 6.974,1015 4.475,1016 6.413,1017 1.237,1018 7.709,1019 4.394,1020 4.635,1021 5.46,1022 4.08,1023 8.389,1024 4.371,1025 7.804,1026 1.224,1027 9.488,1028 3.362,1029 6.395,1030 7.618,1031 5.665,1032 11.415,1033 6.122,1034 9.235,1035 1.073,1036 11.335,1037 3.002,1038 7.179,1039 8.622,1040 6.795,1041 13.59,1042 6.757,1043 10.698,1044 0.743,1045 13.226,1046 2.79,1047 8.552,1048 10.362,1049 8.172,1050 16.276,1051 8.094,1052 12.184,1053 0.283,1054 15.145,1055 1.77,1056 9.609,1057 11.673,1058 9.446,1059 18.712,1060 9.022,1061 13.687,1062 -0.101,1063 17.086,1064 0.669,1065 10.871,1066 13.276,1067 10.786,1068 21.318,1069 10.223,1070 3.535,1071 -0.548,1072 19.043,1073 -0.234,1074 12.031,1075 14.717,1076 12.103,1077 23.85,1078 11.273,1079 3.341,1080 13.729,1081 21.012,1082 -1.407,1083 13.264,1084 16.275,1085 13.44,1086 26.441,1087 12.43,1088 3.012,1089 11.737,1090 22.992,1091 4.803,1092 14.466,1093 17.773,1094 14.772,1095 29.012,1096 13.532,1097 2.756,1098 10.221,1099 24.979,1100 4.526,1101 15.694,1102 19.319,1103 16.11,1104 31.606,1105 14.678,1106 2.327,1107 8.469,1108 26.973,1109 3.917,1110 16.914,1111 20.843,1112 17.448,1113 34.196,1114 15.807,1115 2.044,1116 7.143,1117 28.973,1118 3.591,1119 18.146,1120 22.388,1121 18.788,1122 36.795,1123 16.953,1124 1.655,1125 6.049,1126 30.977,1127 3.233,1128 19.376,1129 23.925,1130 20.128,1131 39.395,1132 18.095,1133 10865,1134 23597,1135 19.592,1136 29.875,1137 50.711,1138 51.107,1139 52.046,1140 49.891,1141 49.676,1142 68.091,1143 12.875,1144 156.38,1145 46.742,1146 5.762,1147 6.741,1148 7.071,1149 5.525,1150 5.535,1151 7.803,1152 5.825,1153 21.878,1154 5.254,1155 21.364,1156 1.585,1157 1.597,1158 1.626,1159 1.559,1160 1.552,1161 2.128,1162 0.402,1163 4.887,1164 1.461,1165 4.148,1166 4.181,1167 4.742,1168 4.086,1169 8.513,1170 4.03,1171 4.082,1172 4.085,1173 4.096,1174 3.97,1175 7.999,1176 3.974,1177 3.789,1178 3.791,1179 3.881,1180 3.613,1181 7.999,1182 3.569,1183 3.565,1184 3.601,1185 3.569,1186 3.39,1187 7.815,1188 3.405,1189 3.475,1190 3.518,1191 3.437,1192 3.151,1193 7.715,1194 3.199,1195 3.243,1196 3.284,1197 3.238,1198 2.963,1199 6.999,1200 2.997,1201 3.089,1202 3.164,1203 2.968,1204 2.855,1205 6.999,1206 2.85,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 5.072,1212 2.719,1213 0.155,1214 0.148,1215 0.241,1216 0.139,1217 0.11,1218 4.96,1219 0.15,1220 4.741,1221 0.12,1222 7.698,1223 0.429,1224 4.463,1225 0.102,1226 3.535,1227 4.803,1228 3.825,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.92,1238 1.889,1239 1.989,1240 2.069,1241 1.132,1242 2.044,1243 1.599,1244 1.586,1245 1.685,1246 1.857,1247 0.792,1248 1.832,1249 1.446,1250 1.431,1251 1.565,1252 1.699,1253 0.641,1254 1.648,1255 1.312,1256 1.259,1257 1.562,1258 1.588,1259 0.612,1260 1.588,1261 1.133,1262 1.078,1263 1.194,1264 1.499,1265 0.421,1266 1.398,1267 1.071,1268 1.002,1269 1.148,1270 1.325,1271 0.207,1272 1.372,1273 0.907,1274 0.84,1275 1.074,1276 1.25,1277 0.09,1278 1.259,1279 4.174,1281 5.565,1282 2.398,1283 7.133,1284 4.727,1285 8.78,1286 6.823,1287 10.468,1289 2.578,1291 38.821,1300 0.58,1301 -4.555,1305 30.464,1306 93.061,1307 178.341,1308 210.341,1309 221.95,1310 221.95,1311 221.95,1312 103.265,1313 7.424,1314 112.86,1315 121.24,1316 17,1317 12.767,1318 4.459,1319 3.807,1320 55.387,1321 127,1322 102,1323 0.217,1324 189.995,1325 336,1326 455.349,1327 16881,1328 6.8,1329 22.267,1330 0.742,1331 0.545,1332 20.017,1333 16.347,1334 13.908,1335 0.435,1336 0.302,1337 8.134,1338 12.138,1339 7.846,1340 6.491,1341 13.485,1342 9.676,1343 14.338,1344 0.293,1345 0.166,1346 13.723,1347 8.152,1348 11.162,1349 0.18,1350 0.097,1351 11.586,1352 6.032,1353 8.19,1354 0.111,1355 0.051,1356 8.669,1357 3.804,1358 6.347,1359 0.07,1360 0.027,1361 6.825,1362 2.494,1363 0.341,1364 98.602,1365 0.226,1366 28.188,1367 0.591,1368 162,1369 800.361,1370 237.883,1371 702.184,1372 904.68,1373 638,1374 192,1375 618.21,1376 269.797,1377 633.288,1378 936.91,1379 588,1380 6.824}
{0 CHEMBL1928532,1 1.782,2 12.531,3 4.76,4 22.655,5 123.719,6 8.814,7 0.629,8 4.057,9 4.151,10 3.898,11 3.651,12 5.269,13 3.626,14 4.552,15 4.683,16 4.221,17 4.027,18 5.985,19 4.003,20 4.753,21 4.897,22 4.294,23 4.179,24 6.076,25 4.127,26 4.896,27 5.061,28 4.218,29 4.151,30 6.216,31 4.092,32 4.853,33 5.049,34 4.188,35 4.045,36 6.094,37 3.995,38 4.771,39 4.946,40 4.181,41 3.989,42 6.337,43 3.955,44 4.793,45 5.014,46 3.989,47 3.919,48 6.113,49 3.859,50 4.555,51 4.755,52 3.811,53 3.793,54 5.782,55 3.728,56 0.225,57 0.81,58 10.025,59 4.69,60 11.751,61 5.023,62 0.507,63 1.248,64 16.307,65 7.235,66 72.016,67 8.186,68 0.43,69 1.505,70 24.039,71 9.948,72 35.263,73 10.567,74 0.695,75 1.606,76 31.59,77 11.457,78 91.349,79 11.808,80 0.818,81 1.51,82 30.554,83 10.419,84 106.662,85 11.504,86 0.897,87 1.443,88 24.664,89 8.577,90 136.82,91 10.041,92 0.878,93 1.409,94 28.425,95 9.007,96 92.061,97 10.728,98 0.493,99 1.115,100 21.537,101 7.818,102 67.637,103 8.894,104 38,105 51,106 0.291,107 0.588,108 0.748,109 0.848,110 0.857,111 0.857,112 3.502,113 0.945,114 -4.61,115 -4.53,116 -4.26,119 43.1,120 1,124 1,142 10,143 4,144 2,145 1,151 1,152 1,155 1,166 4,172 12,174 4,175 7,183 16,186 2,187 15,195 13,198 2,199 14,207 7,211 5,212 15,220 4,223 7,224 10,232 4,236 6,237 9,245 3,250 12,258 3,263 13,271 4,275 1676,276 21.117,277 21.117,278 21.117,279 21.117,280 21.117,281 17.849,282 10.915,283 12.129,284 21.428,285 17.207,286 17.207,287 17.207,288 17.207,289 17.207,290 12.202,291 8.46,292 5.692,293 17.742,294 3.891,295 2.07,296 1.088,297 0.476,298 0.422,299 0.422,300 4.191,304 1,305 1,306 862,307 4.243,310 77.419,311 311.376,314 140.346,318 1.844,319 44.774,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 70.5,331 401,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.574,342 3.775,343 6.566,344 4.089,345 3.117,346 4.527,348 10.432,349 3.033,350 4.236,351 3.13,352 6.093,353 3.742,354 2.76,355 3.917,357 8.876,358 2.722,359 4.119,360 2.759,361 6.05,362 3.723,363 2.737,364 3.713,366 8.469,367 2.682,368 3.764,369 2.64,370 5.731,371 3.307,372 2.326,373 3.234,375 7.143,376 2.278,377 3.504,378 2.279,379 5.134,380 3.013,381 2.04,382 2.895,384 6.021,385 1.984,386 3.294,387 1.942,388 4.694,389 2.798,390 1.81,391 2.656,393 4.621,394 1.784,395 3.011,396 1.901,397 4.5,398 2.571,399 1.615,400 2.121,402 4.393,403 1.534,404 2.914,405 1.799,406 4.132,407 2.281,408 1.303,409 2.013,411 3.428,412 1.272,413 2.77,414 1.376,415 3.911,416 2.234,417 1.235,418 1.887,420 3.012,421 1.233,422 2.658,423 1.247,424 3.768,425 2.136,426 1.145,427 1.706,428 2.803,429 1.133,430 2.567,431 1.085,432 3.511,433 2.046,434 1.058,435 1.572,436 2.666,437 1.044,438 2.5,439 1,440 3.298,441 2,442 1,443 1.5,445 2.136,446 1,447 2.182,448 1,449 3.247,450 1.684,451 0.732,452 1.029,454 1.746,455 0.695,456 1.848,457 0.897,458 3.099,459 1.235,460 0.285,461 0.419,463 0.672,464 0.27,465 15.167,466 0.474,467 0.989,468 0.031,469 47.5,470 1.484,471 27.5,472 0.859,473 20,474 0.625,475 22.902,476 0.716,477 33.433,478 0.656,479 40.438,480 1.264,481 9.477,482 0.296,483 5.792,484 0.181,485 0.154,486 0.055,487 0.31,493 0.316,494 1.123,495 0.731,496 1.138,497 0.566,498 0.898,499 0.565,500 1.076,501 0.722,502 0.868,503 0.481,504 0.815,505 0.811,506 1.179,507 1.178,508 1.223,509 0.647,510 1.055,511 1.295,512 1.156,513 1.349,514 1.264,515 1.314,516 1.161,517 1.155,518 0.932,519 0.974,520 0.934,521 1.297,522 0.926,523 0.77,524 1.142,525 0.94,526 1.043,527 0.652,528 1.049,529 1.066,530 0.825,531 0.971,532 0.764,533 1.024,534 0.888,535 1.157,536 0.976,537 0.989,538 0.889,539 1.102,540 0.94,541 7.5,542 0.24,543 5.333,544 2.604,545 1.756,546 1.573,547 0.821,548 0.448,549 0.337,550 0.321,551 14284,552 46357,553 2.037,554 37.3,555 3,556 13,557 1,558 2,564 1.744,565 1.873,566 3.612,567 -0.681,573 90.866,574 1.782,575 3.602,576 4.585,577 5.197,578 5.251,579 5.251,580 3.052,581 4.5,582 4.974,583 3.777,584 1873.48,585 8.696,586 27461.9,588 1,591 289.294,592 1.646,593 4.907,594 0.214,595 0.008,596 0.105,597 0.048,598 0.037,599 0.035,600 0.018,601 0.012,602 0.01,603 0.01,604 0.497,605 0.17,606 1,607 0.765,608 168.559,609 0.293,610 0.036,611 0.208,612 -0.057,613 -0.078,614 -0.005,615 0.227,616 0.013,617 0.144,618 0.104,619 0.235,620 0.088,621 -0.031,622 -0.093,623 -0.121,624 -0.132,625 0.071,626 -0.105,627 -0.208,628 -0.159,629 -0.244,630 -0.194,631 -0.168,632 -0.192,633 -0.052,634 0.042,635 0.062,636 0.049,637 -0.184,638 0.054,639 0.289,640 -0.114,641 0.011,642 -0.112,643 0.366,644 -0.124,645 0.009,646 0.163,647 0.009,648 0.141,649 -0.01,650 0.085,651 -0.186,652 -0.02,653 -0.017,654 0.076,655 -0.125,656 0.061,657 4.996,658 5.959,659 0.656,660 31.422,661 1.021,662 1.121,663 3.377,664 11.406,665 0.702,666 3.584,667 3.951,668 4.234,669 4.443,670 4.654,671 4.736,672 4.82,673 4.905,674 4.927,675 4.997,676 7.383,677 0.683,678 449.53,679 3.584,680 5.153,681 6.019,682 6.911,683 7.795,684 8.691,685 9.581,686 10.479,687 11.372,688 12.271,689 9.8,692 1,697 1,698 1,699 1,700 1,703 1,704 12,705 1,709 6,711 22,725 1,731 51,733 27,734 2,735 35,737 54,738 22,739 19,740 4,741 8,742 1,746 4,747 5,752 1,761 20,762 2,766 5,768 1,769 1,771 4,773 1,774 1,781 19,782 7,784 10,785 1,790 5,794 0.75,795 4,803 1,805 1,811 1,812 3,815 1,840 3,842 1,844 2,848 32,852 1,859 1,870 7.8,873 2,876 2,877 17.083,878 9.917,879 6.889,880 2.798,881 4.801,882 1.61,883 1,884 5.789,885 12.675,886 3.951,887 4.637,888 5.234,889 5.815,890 6.359,891 6.741,892 7.157,893 7.559,894 7.831,895 8.231,896 1,897 54,898 12.14,900 5.6,901 8.081,902 21.861,904 17.973,905 2.581,906 82.583,909 1,910 223.651,911 164.128,912 41.556,914 95.06,916 5.807,917 158.32,918 318.711,919 41.556,920 22.892,922 109.617,923 93.566,924 45.32,925 13.915,926 188.338,927 50.747,928 223.651,929 199.876,930 95.06,931 5.807,933 223.651,934 44.313,935 50.747,937 37.096,938 131.4,939 37.188,941 223.651,942 136.616,943 164.128,945 5.807,946 223.651,947 19.194,948 147.356,950 128.386,951 223.651,952 136.616,953 164.128,955 0.598,956 0.355,957 0.176,958 0.094,959 25,960 12,961 0.111,962 6,963 1,964 1.095,965 4.21,966 295.197,967 0.095,968 21,969 152,973 1,974 21.69,975 8.54,976 4.293,977 0.757,978 129.782,979 20.85,980 4.279,984 2.573,987 524.395,988 51,990 -0.634,991 -4.08,993 48.028,995 1.404,996 4.08,999 52.08,1000 57.156,1001 0.314,1002 0.635,1003 0.808,1004 0.916,1005 0.926,1006 0.926,1007 5.196,1008 1.615,1009 6.052,1010 4.621,1011 4.635,1012 5.325,1013 2.501,1014 6.934,1015 4.571,1016 6.465,1017 1.303,1018 7.673,1019 4.393,1020 4.443,1021 5.414,1022 2.361,1023 8.186,1024 4.308,1025 7.828,1026 1.235,1027 9.41,1028 3.428,1029 6.34,1030 7.699,1031 4.154,1032 11.268,1033 6.185,1034 9.236,1035 1.145,1036 11.22,1037 3.012,1038 6.976,1039 8.614,1040 4.506,1041 13.38,1042 6.727,1043 10.681,1044 1.058,1045 13.08,1046 2.803,1047 8.405,1048 10.413,1049 5.948,1050 16.086,1051 8.126,1052 12.152,1053 1,1054 14.975,1055 2.666,1056 9.386,1057 11.678,1058 6.556,1059 18.513,1060 9.007,1061 13.645,1062 0.732,1063 16.896,1064 2.136,1065 10.664,1066 13.308,1067 7.794,1068 21.135,1069 10.236,1070 3.535,1071 0.285,1072 18.839,1073 1.746,1074 11.789,1075 14.726,1076 8.548,1077 23.677,1078 11.263,1079 3.117,1080 13.729,1081 20.799,1082 0.672,1083 13.024,1084 16.295,1085 9.67,1086 26.285,1087 12.432,1088 2.76,1089 10.432,1090 22.773,1091 4.803,1092 14.211,1093 17.782,1094 10.509,1095 28.872,1096 13.525,1097 2.737,1098 8.876,1099 24.759,1100 4.527,1101 15.441,1102 19.332,1103 11.563,1104 31.481,1105 14.676,1106 2.326,1107 8.469,1108 26.754,1109 3.917,1110 16.657,1111 20.851,1112 12.452,1113 34.086,1114 15.799,1115 2.04,1116 7.143,1117 28.757,1118 3.713,1119 17.891,1120 22.396,1121 13.468,1122 36.699,1123 16.948,1124 1.81,1125 6.021,1126 30.766,1127 3.234,1128 19.123,1129 23.931,1130 14.386,1131 39.311,1132 18.088,1133 13658,1134 24861,1135 22.77,1136 35.824,1137 54.087,1138 55.998,1139 55.435,1140 53.416,1141 53.399,1142 75.984,1143 5.225,1144 160.293,1145 51.834,1146 5.762,1147 6.741,1148 7.5,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 18.074,1156 1.545,1157 1.6,1158 1.584,1159 1.526,1160 1.526,1161 2.171,1162 0.149,1163 4.58,1164 1.481,1165 4.157,1166 4.19,1167 4.742,1168 4.09,1169 7.815,1170 4.049,1171 4.086,1172 4.085,1173 4.102,1174 4.007,1175 7.715,1176 3.986,1177 3.86,1178 3.894,1179 3.881,1180 3.776,1181 6.999,1182 3.778,1183 3.784,1184 3.784,1185 3.792,1186 3.61,1187 6.999,1188 3.562,1189 3.493,1190 3.537,1191 3.441,1192 3.308,1193 5.086,1194 3.304,1195 3.385,1196 3.415,1197 3.346,1198 3.15,1199 4.752,1200 3.195,1201 3.158,1202 3.213,1203 3.095,1204 2.927,1205 4.65,1206 2.929,1207 3.009,1208 3.09,1209 2.851,1210 2.822,1211 4.573,1212 2.815,1213 0.142,1214 0.135,1215 0.22,1216 0.128,1217 0.101,1218 4.96,1219 0.137,1220 4.741,1221 0.075,1222 7.698,1223 0.392,1224 4.463,1225 0.093,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2,1232 1.997,1233 2.084,1234 2.111,1235 1.235,1236 2.109,1237 1.988,1238 1.969,1239 2.02,1240 2.093,1241 1.205,1242 2.087,1243 1.774,1244 1.739,1245 1.886,1246 1.899,1247 0.973,1248 1.9,1249 1.592,1250 1.579,1251 1.682,1252 1.852,1253 0.788,1254 1.827,1255 1.444,1256 1.422,1257 1.565,1258 1.699,1259 0.629,1260 1.648,1261 1.312,1262 1.259,1263 1.561,1264 1.581,1265 0.612,1266 1.588,1267 1.079,1268 1.013,1269 1.183,1270 1.327,1271 0.421,1272 1.376,1273 1.014,1274 0.951,1275 1.181,1276 1.25,1277 0.252,1278 1.259,1279 4.263,1281 5.617,1282 2.398,1283 7.166,1284 4.727,1285 8.8,1286 6.823,1287 10.479,1289 2.857,1300 0.795,1305 34.841,1306 90.866,1307 183.704,1308 233.81,1309 265.029,1310 267.784,1311 267.784,1312 73.282,1313 7.873,1314 112.86,1315 121.24,1316 23,1317 12.795,1318 4.807,1319 4.087,1320 51.958,1321 145,1322 135,1323 0.176,1324 218.187,1325 373.11,1326 524.136,1327 31152,1329 22.88,1330 0.715,1331 0.566,1332 23.13,1333 18.099,1334 15.269,1335 0.436,1336 0.315,1337 9.554,1338 13.795,1339 9.162,1340 7.652,1341 16.058,1342 11.02,1343 14.433,1344 0.283,1345 0.177,1346 15.776,1347 9.02,1348 12.294,1349 0.181,1350 0.1,1351 13.681,1352 6.812,1353 9.471,1354 0.113,1355 0.053,1356 10.517,1357 4.438,1358 7.509,1359 0.072,1360 0.028,1361 8.345,1362 2.959,1363 0.279,1364 104.519,1365 0.21,1366 29.945,1367 0.475,1368 172,1369 584.028,1370 230.866,1371 585.19,1372 789.41,1373 536,1374 205,1375 566.21,1376 272.32,1377 604.596,1378 874.67,1379 564,1380 6}
{0 CHEMBL1928533,1 2.018,2 10.37,3 3.906,4 15.254,5 103.388,6 9.948,7 0.552,8 3.858,9 3.943,10 3.803,11 3.429,12 5.11,13 3.413,14 4.356,15 4.481,16 4.146,17 3.801,18 5.882,19 3.791,20 4.534,21 4.657,22 4.211,23 3.947,24 5.962,25 3.907,26 4.682,27 4.831,28 4.128,29 3.886,30 6.098,31 3.846,32 4.597,33 4.778,34 4.102,35 3.735,36 5.961,37 3.707,38 4.47,39 4.621,40 3.991,41 3.635,42 6.204,43 3.619,44 4.5,45 4.714,46 3.783,47 3.581,48 5.915,49 3.533,50 4.241,51 4.408,52 3.767,53 3.543,54 5.564,55 3.475,56 0.24,57 0.675,58 6.28,59 3.697,60 20.644,61 3.546,62 0.586,63 1.013,64 11.6,65 5.681,66 83.058,67 5.819,68 0.574,69 1.179,70 19.447,71 7.853,72 52.375,73 7.113,74 0.902,75 1.218,76 26.077,77 9.074,78 119.915,79 7.942,80 0.944,81 1.064,82 23.939,83 7.894,84 131.303,85 7.466,86 0.936,87 0.98,88 18.704,89 6.207,90 145.605,91 6.271,92 0.92,93 0.943,94 22.254,95 6.842,96 104.722,97 7.448,98 0.55,99 0.738,100 18.468,101 6.342,102 81.437,103 6.249,104 51,105 43,106 0.348,107 0.691,108 0.817,109 0.866,110 0.866,111 0.866,112 3.34,113 0.975,114 -3.95,115 -3.9,116 -3.7,119 39,120 1,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,166 4,172 3,174 4,175 7,183 8,186 2,187 14,195 3,198 2,199 13,207 2,211 5,212 12,223 7,224 5,232 2,236 6,237 4,245 2,250 5,258 3,263 10,271 2,275 1083,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 12.516,283 9.769,284 17.789,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.101,292 4.562,293 15.023,294 3.339,295 1.344,296 0.613,297 0.33,298 0.33,299 0.33,300 4.011,301 1,304 1,305 1,306 591,307 4.183,310 64.287,311 174.415,314 119.432,318 1.542,319 46.686,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 60.833,331 280,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.554,342 3.775,343 6.543,344 4.047,345 3.086,346 4.512,348 10.344,349 2.963,350 4.235,351 3.162,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.767,360 2.768,361 5.731,362 3.311,363 2.335,364 3.236,366 7.144,367 2.279,368 3.66,369 2.635,370 5.168,371 3.167,372 2.254,373 3.093,375 6.226,376 2.035,377 3.402,378 2.265,379 4.95,380 2.879,381 1.949,382 2.742,384 5.706,385 1.741,386 3.011,387 1.915,388 4.694,389 2.571,390 1.615,391 2.119,393 4.398,394 1.533,395 2.914,396 1.891,397 4.14,398 2.235,399 1.255,400 2.012,402 3.421,403 1.234,404 2.71,405 1.375,406 3.911,407 2.217,408 1.234,409 1.799,411 3.006,412 1.199,413 2.622,414 1.191,415 3.768,416 2.064,417 1.079,418 1.628,420 2.792,421 1.059,422 2.215,423 1,424 3.306,425 1.721,426 0.78,427 1.083,428 1.819,429 0.72,430 1.865,431 0.943,432 3.1,433 1.246,434 0.31,435 0.451,436 0.72,437 0.284,438 1.251,439 0.685,440 2.765,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1.01,448 0.413,449 2.376,450 0.495,451 -0.346,452 -0.438,454 -0.805,455 -0.235,456 1,457 0.168,458 2.342,459 0.156,460 -0.816,461 -1.01,463 -2,464 -0.77,465 12.881,466 0.477,467 0.976,468 0.036,469 38.75,470 1.435,471 21.5,472 0.796,473 17.25,474 0.639,475 19.53,476 0.723,477 29.119,478 0.71,479 31.952,480 1.183,481 7.676,482 0.284,483 5.02,484 0.186,485 0.237,486 0.065,487 0.326,493 0.353,494 1.225,495 0.641,496 1.146,497 0.58,498 0.888,499 0.606,500 1.13,501 0.629,502 0.782,503 0.488,504 0.72,505 0.94,506 1.265,507 1.244,508 1.285,509 0.716,510 1.089,511 1.344,512 1.193,513 1.25,514 1.289,515 1.382,516 1.186,517 1.228,518 0.897,519 0.905,520 0.889,521 1.406,522 0.886,523 0.832,524 1.114,525 1.018,526 1.127,527 0.755,528 1.139,529 1.002,530 0.646,531 0.775,532 0.671,533 1.101,534 0.821,535 1.124,536 0.912,537 0.766,538 0.841,539 1.217,540 0.925,541 7.5,542 0.153,543 4.889,544 2.542,545 1.804,546 1.316,547 0.651,548 0.441,549 0.295,550 0.215,551 8332,552 33616,553 1.963,554 34.1,555 3,556 8,557 1,558 2,564 1.701,565 1.77,566 3.359,567 -0.586,569 1,573 82.747,574 2.018,575 4.013,576 4.745,577 5.028,578 5.028,579 5.028,580 2.745,581 4.459,582 4.73,583 3.53,584 1239,585 8.21,586 15862,588 1,590 1,591 219.66,592 1.74,593 4.637,594 0.259,595 0.008,596 0.114,597 0.056,598 0.046,599 0.038,600 0.02,601 0.016,602 0.011,603 0.009,604 0.576,605 0.33,606 1,607 0.857,608 133.558,609 0.25,610 -0.002,611 0.145,612 -0.088,613 -0.079,614 -0.027,615 0.172,616 -0.017,617 0.146,618 0.164,619 0.238,620 0.167,621 -0.142,622 -0.141,623 -0.231,624 -0.184,625 0.028,626 -0.167,627 -0.282,628 -0.193,629 -0.247,630 -0.217,631 -0.228,632 -0.224,633 -0.119,634 0.055,635 0.085,636 0.098,637 -0.236,638 0.1,639 0.243,640 -0.107,641 -0.097,642 -0.187,643 0.353,644 -0.227,645 0.035,646 0.281,647 0.087,648 0.24,649 -0.028,650 0.199,651 -0.166,652 -0.011,653 0.147,654 0.168,655 -0.167,656 0.122,657 4.979,658 5.753,659 0.556,660 22.189,661 1.04,662 1.129,663 2.72,664 7.397,665 0.711,666 3.401,667 3.784,668 4.043,669 4.234,670 4.419,671 4.454,672 4.431,673 4.466,674 4.357,675 4.357,676 6.342,677 0.698,678 407.87,679 3.401,680 4.977,681 5.838,682 6.735,683 7.617,684 8.515,685 9.403,686 10.302,687 11.192,688 12.091,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 41,733 21,734 1,735 29,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,748 1,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 7,784 11,785 2,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,845 1,848 27,852 1,859 1,869 1,870 9.8,873 2,876 2,877 15.25,878 8.143,879 5.778,880 2.16,881 3.804,882 1.532,883 0.976,884 5.198,885 10.952,886 3.761,887 4.463,888 5.036,889 5.603,890 6.112,891 6.46,892 6.73,893 7.037,894 7.041,895 7.304,896 0.857,897 45,898 10.269,900 4.788,901 8.279,902 18.044,904 14.659,905 2.779,906 75.028,909 1,910 164.795,911 113.876,912 41.556,913 39.149,914 95.06,916 5.807,917 108.068,918 299.004,919 41.556,920 22.892,922 62.236,923 93.566,924 42.45,925 13.915,926 129.482,927 89.896,928 164.795,929 149.625,930 95.06,931 44.956,933 164.795,934 44.313,935 50.747,937 37.096,938 81.148,939 76.337,941 164.795,942 136.616,943 153.025,945 5.807,946 164.795,947 16.323,948 99.975,950 167.535,951 164.795,952 136.616,953 153.025,955 0.605,956 0.357,957 0.172,958 0.094,959 21,960 11,961 0.116,962 5,963 1,964 1.133,965 3.707,966 229.671,967 0.133,968 15,969 124.382,973 1,974 19.298,975 7.272,976 3.807,977 0.656,978 129.782,979 10.192,980 4.127,984 0.958,987 454.436,988 42,990 -0.648,991 -4.063,993 47.389,995 1.336,996 3.964,999 42.636,1000 46.269,1001 0.377,1002 0.749,1003 0.886,1004 0.938,1005 0.938,1006 0.938,1007 5.017,1008 1.255,1009 5.894,1010 4.398,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.36,1016 6.304,1017 1.234,1018 7.53,1019 3.421,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.169,1025 7.683,1026 1.079,1027 9.281,1028 3.006,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 5.974,1034 9.105,1035 0.78,1036 11.103,1037 2.792,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.566,1043 10.562,1044 0.31,1045 12.973,1046 1.819,1047 8.288,1048 10.307,1049 5.948,1050 16.024,1051 7.928,1052 12.044,1053 -0.101,1054 14.878,1055 0.72,1056 9.301,1057 11.618,1058 6.556,1059 18.471,1060 8.842,1061 13.545,1062 -0.346,1063 16.81,1064 -0.233,1065 10.572,1066 13.231,1067 7.794,1068 21.102,1069 10.056,1070 3.535,1071 -0.816,1072 18.763,1073 -0.805,1074 11.716,1075 14.676,1076 8.548,1077 23.655,1078 11.105,1079 3.086,1080 13.729,1081 20.733,1082 -2,1083 12.954,1084 16.24,1085 9.67,1086 26.269,1087 12.271,1088 2.756,1089 10.344,1090 22.716,1091 4.803,1092 14.153,1093 17.741,1094 10.509,1095 28.86,1096 13.378,1097 2.335,1098 8.469,1099 24.71,1100 4.512,1101 15.387,1102 19.291,1103 11.563,1104 31.473,1105 14.532,1106 2.254,1107 7.144,1108 26.712,1109 3.917,1110 16.612,1111 20.818,1112 12.452,1113 34.08,1114 15.666,1115 1.949,1116 6.226,1117 28.722,1118 3.236,1119 17.85,1120 22.365,1121 13.468,1122 36.694,1123 16.819,1124 1.615,1125 5.706,1126 30.737,1127 3.093,1128 19.088,1129 23.904,1130 14.386,1131 39.308,1132 17.966,1133 8210,1134 16664,1135 18.205,1136 29.159,1137 45.071,1138 47.005,1139 46.951,1140 44.541,1141 44.378,1142 62.792,1143 5.225,1144 135.551,1145 41.972,1146 5.762,1147 6.741,1148 7.08,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.304,1156 1.554,1157 1.621,1158 1.619,1159 1.536,1160 1.53,1161 2.165,1162 0.18,1163 4.674,1164 1.447,1165 4.142,1166 4.172,1167 4.742,1168 4.085,1169 7.815,1170 4.025,1171 4.077,1172 4.083,1173 4.136,1174 3.963,1175 7.715,1176 3.968,1177 3.788,1178 3.788,1179 3.881,1180 3.613,1181 6.999,1182 3.566,1183 3.499,1184 3.541,1185 3.663,1186 3.347,1187 6.999,1188 3.339,1189 3.414,1190 3.439,1191 3.438,1192 3.15,1193 5.121,1194 3.196,1195 3.163,1196 3.215,1197 3.221,1198 2.924,1199 4.744,1200 2.922,1201 3.007,1202 3.085,1203 2.922,1204 2.79,1205 4.646,1206 2.788,1207 2.991,1208 3.075,1209 2.8,1210 2.678,1211 4.545,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.899,1238 1.868,1239 1.958,1240 2.041,1241 1.097,1242 2.022,1243 1.596,1244 1.583,1245 1.683,1246 1.856,1247 0.789,1248 1.831,1249 1.444,1250 1.426,1251 1.565,1252 1.699,1253 0.628,1254 1.648,1255 1.312,1256 1.259,1257 1.561,1258 1.582,1259 0.612,1260 1.588,1261 1.077,1262 1.011,1263 1.151,1264 1.327,1265 0.421,1266 1.376,1267 0.952,1268 0.884,1269 1.118,1270 1.25,1271 0.119,1272 1.259,1273 0.907,1274 0.84,1275 1.061,1276 1.207,1277 0.084,1278 1.195,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1289 2.81,1290 5.974,1300 0.757,1305 28.615,1306 82.747,1307 164.54,1308 194.54,1309 206.15,1310 206.15,1311 206.15,1312 69.914,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.615,1318 4.459,1319 3.807,1320 47.025,1321 103,1322 90,1323 0.223,1324 185.141,1325 315.7,1326 443.505,1327 11922,1328 2.4,1329 19.767,1330 0.732,1331 0.587,1332 20.517,1333 15.847,1334 12.696,1335 0.438,1336 0.325,1337 7.612,1338 10.914,1339 7.24,1340 6.03,1341 13.774,1342 9.426,1343 12.38,1344 0.288,1345 0.187,1346 14.131,1347 8.02,1348 10.199,1349 0.182,1350 0.105,1351 11.848,1352 5.902,1353 7.623,1354 0.112,1355 0.055,1356 8.888,1357 3.762,1358 5.988,1359 0.073,1360 0.031,1361 7.125,1362 2.514,1363 0.35,1364 92.26,1365 0.234,1366 25.795,1367 0.615,1368 144,1369 550.231,1370 218.385,1371 575.767,1372 756,1373 524,1374 171,1375 511.073,1376 248.079,1377 554.98,1378 801.58,1379 516,1380 8.538}
{0 CHEMBL1928534,1 1.813,2 11.138,3 4.064,4 16.515,5 110.972,6 8.615,7 0.5,8 4.004,9 4.102,10 3.836,11 3.57,12 5.162,13 3.543,14 4.517,15 4.666,16 4.13,17 3.927,18 5.915,19 3.895,20 4.69,21 4.848,22 4.216,23 4.071,24 6,25 4.02,26 4.837,27 5.002,28 4.14,29 4.058,30 6.154,31 3.997,32 4.805,33 5.017,34 4.089,35 3.917,36 6.016,37 3.865,38 4.678,39 4.856,40 4.076,41 3.848,42 6.268,43 3.819,44 4.706,45 4.935,46 3.818,47 3.762,48 6.023,49 3.688,50 4.429,51 4.643,52 3.662,53 3.625,54 5.638,55 3.56,56 0.225,57 0.788,58 10.389,59 4.569,60 15.595,61 5.097,62 0.526,63 1.197,64 17.535,65 7.064,66 78.723,67 8.486,68 0.456,69 1.4,70 24.92,71 9.353,72 40.383,73 10.424,74 0.696,75 1.479,76 30.819,77 10.523,78 90.564,79 11.307,80 0.854,81 1.366,82 31.277,83 9.478,84 108.785,85 11.118,86 0.908,87 1.273,88 23.723,89 7.268,90 139.22,91 8.902,92 0.875,93 1.203,94 27.221,95 7.887,96 95.002,97 9.882,98 0.5,99 0.93,100 20.857,101 6.827,102 68.879,103 8.095,104 38,105 48,106 0.302,107 0.647,108 0.809,109 0.849,110 0.849,111 0.849,112 3.408,113 0.981,114 -4.15,115 -4.1,116 -3.87,119 39.6,120 1,121 2,122 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 9,174 4,175 7,183 10,186 2,187 15,195 8,198 2,199 14,207 2,211 5,212 15,220 2,223 7,224 8,232 2,236 6,237 6,245 2,250 9,258 3,263 10,271 4,275 1295,276 18.996,277 18.996,278 18.996,279 18.996,280 18.996,281 16.44,282 15.766,283 10.643,284 19.307,285 15.707,286 15.707,287 15.707,288 15.707,289 15.707,290 11.672,291 11.402,292 4.969,293 16.242,294 3.771,295 1.701,296 0.732,297 0.49,298 0.49,299 0.49,300 4.086,304 1,305 1,306 704,307 4.243,308 51.007,310 69.842,311 187.491,314 128.212,318 1.6,319 44.349,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 64.5,331 323,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.569,342 3.775,343 6.569,344 4.105,345 3.129,346 4.518,348 10.442,349 3.057,350 4.236,351 3.228,352 6.152,353 3.817,354 2.827,355 3.917,357 9.067,358 2.793,359 4.01,360 2.967,361 6.05,362 3.729,363 2.755,364 3.339,366 8.469,367 2.684,368 3.763,369 2.646,370 5.731,371 3.307,372 2.326,373 3.232,375 7.143,376 2.278,377 3.475,378 2.284,379 5.136,380 3.014,381 2.043,382 2.809,384 6.031,385 1.982,386 3.027,387 1.938,388 4.694,389 2.705,390 1.718,391 2.16,393 4.807,394 1.692,395 3.011,396 1.9,397 4.587,398 2.57,399 1.613,400 2.101,402 4.395,403 1.533,404 2.914,405 1.724,406 4.136,407 2.235,408 1.243,409 2.011,411 3.39,412 1.234,413 2.692,414 1.367,415 3.911,416 2.211,417 1.232,418 1.766,420 3.004,421 1.201,422 2.609,423 1.154,424 3.768,425 2.062,426 1.076,427 1.612,428 2.791,429 1.06,430 2.196,431 1,432 3.314,433 1.719,434 0.764,435 1.057,436 1.806,437 0.728,438 1.855,439 0.919,440 3.108,441 1.254,442 0.303,443 0.439,445 0.713,446 0.287,447 1.251,448 0.601,449 2.785,450 0.88,451 -0.101,452 -0.128,454 -0.233,455 -0.098,456 1.008,457 0.409,458 2.732,459 0.725,460 -0.257,461 -0.299,463 -0.645,464 -0.251,465 13.667,466 0.471,467 0.989,468 0.034,469 40,470 1.379,471 21.5,472 0.741,473 18.5,474 0.638,475 22.403,476 0.773,477 31.333,478 0.653,479 32.81,480 1.131,481 7.56,482 0.261,483 6.209,484 0.214,485 0.171,486 0.061,487 0.344,493 0.316,494 1.2,495 0.738,496 1.2,497 0.545,498 0.945,499 0.553,500 1.142,501 0.727,502 0.916,503 0.451,504 0.866,505 0.808,506 1.177,507 1.125,508 1.191,509 0.635,510 0.986,511 1.302,512 1.232,513 1.363,514 1.327,515 1.307,516 1.213,517 1.156,518 0.936,519 0.948,520 0.915,521 1.269,522 0.898,523 0.834,524 1.128,525 0.972,526 1.035,527 0.684,528 1.045,529 1.089,530 0.809,531 1.019,532 0.799,533 1.064,534 0.949,535 1.187,536 0.822,537 0.928,538 0.77,539 1.145,540 0.794,541 7.5,542 0.189,543 4.944,544 2.611,545 1.724,546 1.399,547 0.665,548 0.419,549 0.313,550 0.295,551 10976,552 34052,553 2.041,554 39.6,555 8,556 8,557 1,558 2,564 1.719,565 1.861,566 3.456,567 -0.649,569 1,573 87.047,574 1.813,575 3.884,576 4.853,577 5.095,578 5.095,579 5.095,580 2.872,581 4.582,582 4.833,583 3.63,584 1473.63,585 8.415,586 19968.6,588 1,590 1,591 268.078,592 1.694,593 4.757,594 0.234,595 0.007,596 0.11,597 0.053,598 0.04,599 0.036,600 0.017,601 0.014,602 0.011,603 0.01,604 0.533,605 0.33,606 1,607 0.805,608 147.338,609 0.29,610 0.024,611 0.218,612 -0.058,613 -0.052,614 -0.003,615 0.232,616 -0.039,617 0.161,618 0.083,619 0.26,620 0.077,621 -0.022,622 -0.068,623 -0.042,624 -0.065,625 0.088,626 -0.007,627 -0.223,628 -0.217,629 -0.27,630 -0.246,631 -0.164,632 -0.25,633 -0.054,634 0.02,635 0.093,636 0.052,637 -0.165,638 0.074,639 0.258,640 -0.083,641 -0.021,642 -0.112,643 0.369,644 -0.142,645 -0.006,646 0.149,647 -0.046,648 0.087,649 -0.028,650 0.003,651 -0.187,652 0.108,653 0.067,654 0.208,655 -0.119,656 0.214,657 4.957,658 5.871,659 0.621,660 25.298,661 1.022,662 1.128,663 2.922,664 8.536,665 0.684,666 3.497,667 3.892,668 4.143,669 4.344,670 4.533,671 4.644,672 4.7,673 4.727,674 4.663,675 4.7,676 6.751,677 0.663,678 413.5,679 3.497,680 5.081,681 5.958,682 6.862,683 7.756,684 8.66,685 9.558,686 10.463,687 11.363,688 12.269,689 10.4,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 48,733 21,734 1,735 32,737 51,738 19,739 13,740 3,741 3,742 1,746 4,747 5,752 1,755 2,756 1,758 2,761 14,762 5,763 1,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 19,782 7,784 10,785 1,790 5,794 0.75,795 4,803 1,805 1,809 1,811 1,812 2,815 1,840 3,842 1,844 2,848 29,852 1,854 2,858 1,859 1,870 8.3,873 2,876 2,877 15.583,878 9.333,879 6.139,880 2.791,881 3.834,882 1.511,883 0.993,884 4.89,885 11.334,886 3.829,887 4.519,888 5.087,889 5.657,890 6.174,891 6.574,892 6.907,893 7.217,894 7.291,895 7.592,896 1,897 49,898 11.064,900 5.209,901 8.095,902 20.05,904 17.029,905 2.595,906 75.25,909 1,910 223.651,911 118.63,912 41.556,914 95.06,916 5.807,917 112.822,918 318.711,919 41.556,920 22.892,921 5.069,922 62.236,923 93.566,924 42.135,925 13.915,926 188.338,927 50.747,928 223.651,929 154.379,930 95.06,931 5.807,933 223.651,934 44.313,935 50.747,937 42.165,938 80.833,939 37.188,941 223.651,942 136.616,943 118.63,945 5.807,946 223.651,947 21.077,948 99.975,950 128.386,951 223.651,952 136.616,953 118.63,955 0.608,956 0.349,957 0.168,958 0.087,959 25,960 12,961 0.118,962 6,963 1,964 1.111,965 3.996,966 259.769,967 0.111,968 18,969 134.881,973 1,974 19.558,975 7.25,976 3.887,977 0.843,978 129.782,979 11.322,980 4.265,984 1.887,987 478.897,988 45,990 -0.627,991 -4.04,993 47.753,995 1.434,996 4.068,999 49.08,1000 54.156,1001 0.325,1002 0.695,1003 0.869,1004 0.912,1005 0.912,1006 0.912,1007 5.1,1008 1.613,1009 6.009,1010 4.807,1011 4.575,1012 5.207,1013 2.501,1014 6.911,1015 4.507,1016 6.384,1017 1.243,1018 7.647,1019 4.395,1020 4.511,1021 5.407,1022 2.361,1023 8.215,1024 4.385,1025 7.761,1026 1.232,1027 9.399,1028 3.39,1029 6.323,1030 7.595,1031 4.154,1032 11.272,1033 6.164,1034 9.181,1035 1.076,1036 11.218,1037 3.004,1038 7.022,1039 8.581,1040 4.506,1041 13.393,1042 6.786,1043 10.633,1044 0.764,1045 13.083,1046 2.791,1047 8.415,1048 10.334,1049 5.948,1050 16.094,1051 8.138,1052 12.111,1053 0.303,1054 14.981,1055 1.806,1056 9.421,1057 11.64,1058 6.556,1059 18.52,1060 9.059,1061 13.608,1062 -0.101,1063 16.904,1064 0.713,1065 10.685,1066 13.25,1067 7.794,1068 21.14,1069 10.268,1070 3.535,1071 -0.257,1072 18.847,1073 -0.233,1074 11.819,1075 14.691,1076 8.548,1077 23.682,1078 11.314,1079 3.129,1080 13.729,1081 20.807,1082 -0.645,1083 13.048,1084 16.254,1085 9.67,1086 26.289,1087 12.475,1088 2.827,1089 10.442,1090 22.78,1091 4.803,1092 14.238,1093 17.753,1094 10.509,1095 28.874,1096 13.576,1097 2.755,1098 9.067,1099 24.765,1100 4.518,1101 15.463,1102 19.301,1103 11.563,1104 31.483,1105 14.724,1106 2.326,1107 8.469,1108 26.76,1109 3.917,1110 16.679,1111 20.827,1112 12.452,1113 34.087,1114 15.851,1115 2.043,1116 7.143,1117 28.762,1118 3.339,1119 17.911,1120 22.373,1121 13.468,1122 36.7,1123 16.998,1124 1.718,1125 6.031,1126 30.771,1127 3.232,1128 19.141,1129 23.912,1130 14.386,1131 39.312,1132 18.138,1133 10422,1134 18598,1135 20.69,1136 32.824,1137 50.07,1138 51.922,1139 51.709,1140 49.114,1141 49.13,1142 67.528,1143 5.225,1144 151.572,1145 47.566,1146 5.811,1147 6.741,1148 7.073,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 16.762,1156 1.565,1157 1.623,1158 1.616,1159 1.535,1160 1.535,1161 2.11,1162 0.163,1163 4.737,1164 1.486,1165 4.161,1166 4.198,1167 4.742,1168 4.09,1169 7.815,1170 4.05,1171 4.089,1172 4.087,1173 4.104,1174 4.01,1175 7.715,1176 3.987,1177 3.837,1178 3.888,1179 3.881,1180 3.714,1181 6.999,1182 3.713,1183 3.779,1184 3.782,1185 3.724,1186 3.607,1187 6.999,1188 3.559,1189 3.489,1190 3.534,1191 3.439,1192 3.243,1193 5.08,1194 3.246,1195 3.344,1196 3.377,1197 3.299,1198 3.149,1199 4.651,1200 3.186,1201 3.136,1202 3.198,1203 3.034,1204 2.908,1205 4.586,1206 2.897,1207 3.006,1208 3.082,1209 2.802,1210 2.733,1211 4.38,1212 2.742,1213 0.155,1214 0.148,1215 0.241,1216 0.139,1217 0.11,1218 4.96,1219 0.15,1220 4.741,1221 0.082,1222 7.698,1223 0.429,1224 4.463,1225 0.102,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.235,1236 2.108,1237 1.92,1238 1.888,1239 2,1240 2.056,1241 1.188,1242 2.038,1243 1.599,1244 1.586,1245 1.687,1246 1.856,1247 0.825,1248 1.832,1249 1.447,1250 1.431,1251 1.565,1252 1.699,1253 0.81,1254 1.648,1255 1.312,1256 1.259,1257 1.563,1258 1.583,1259 0.741,1260 1.588,1261 1.178,1262 1.111,1263 1.513,1264 1.387,1265 0.612,1266 1.429,1267 1.153,1268 1.064,1269 1.387,1270 1.376,1271 0.575,1272 1.395,1273 1.073,1274 1.004,1275 1.15,1276 1.323,1277 0.421,1278 1.372,1279 4.174,1280 1.946,1281 5.549,1282 3.932,1283 7.114,1284 5.861,1285 8.76,1286 7.745,1287 10.45,1289 2.879,1295 2.356,1299 0.583,1300 0.813,1305 31.841,1306 87.047,1307 186.415,1308 232.959,1309 244.568,1310 244.568,1311 244.568,1312 66.311,1313 7.499,1314 112.86,1315 121.24,1316 20,1317 12.788,1318 4.459,1319 3.807,1320 44.775,1321 119,1322 102,1323 0.183,1324 198.192,1325 340.03,1326 475.349,1327 18795,1329 20.759,1330 0.716,1331 0.576,1332 21.009,1333 16.704,1334 13.769,1335 0.43,1336 0.327,1337 8.998,1338 12.295,1339 8.635,1340 7.169,1341 14.558,1342 10.464,1343 13.373,1344 0.279,1345 0.187,1346 14.715,1347 8.973,1348 10.978,1349 0.177,1350 0.105,1351 12.364,1352 6.489,1353 8.337,1354 0.11,1355 0.056,1356 9.383,1357 4.231,1358 6.396,1359 0.07,1360 0.03,1361 7.233,1362 2.743,1363 0.289,1364 95.519,1365 0.22,1366 27.509,1367 0.5,1368 160,1369 540.028,1370 218.866,1371 538.299,1372 724.1,1373 492,1374 193,1375 518.21,1376 260.32,1377 553.503,1378 803.23,1379 516,1380 5.959}
{0 CHEMBL1928535,1 1.844,2 11.036,3 3.793,4 14.387,5 108.27,6 8.877,7 0.533,8 3.93,9 4.026,10 3.788,11 3.489,12 5.171,13 3.467,14 4.42,15 4.557,16 4.104,17 3.849,18 5.899,19 3.834,20 4.602,21 4.739,22 4.183,23 4.007,24 5.986,25 3.965,26 4.774,27 4.937,28 4.1,29 3.981,30 6.144,31 3.929,32 4.716,33 4.918,34 4.044,35 3.832,36 5.999,37 3.792,38 4.591,39 4.76,40 4.013,41 3.755,42 6.257,43 3.731,44 4.621,45 4.848,46 3.776,47 3.68,48 5.992,49 3.617,50 4.343,51 4.539,52 3.626,53 3.579,54 5.609,55 3.519,56 0.225,57 0.733,58 9.154,59 4.136,60 16.503,61 4.42,62 0.526,63 1.102,64 15.009,65 6.181,66 78.304,67 7.055,68 0.446,69 1.309,70 21.103,71 8.392,72 38.832,73 8.697,74 0.736,75 1.388,76 28.867,77 9.824,78 102.898,79 10.039,80 0.856,81 1.257,82 28.145,83 8.623,84 119.471,85 9.542,86 0.884,87 1.164,88 20.913,89 6.703,90 137.705,91 7.798,92 0.871,93 1.1,94 25.219,95 7.364,96 100.443,97 8.888,98 0.487,99 0.86,100 18.345,101 6.449,102 72.527,103 7.25,104 54,105 44,106 0.311,107 0.659,108 0.824,109 0.868,110 0.868,111 0.868,112 3.375,113 0.956,114 -3.85,115 -3.81,116 -3.61,119 40,120 1,124 1,134 1,135 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 7,174 4,175 7,183 9,186 2,187 15,195 6,198 2,199 14,207 2,211 5,212 14,220 1,223 7,224 7,232 2,236 6,237 5,245 2,250 8,258 3,263 10,271 4,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.578,282 10.915,283 10.272,284 18.523,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.453,291 8.46,292 4.709,293 15.182,294 3.648,295 1.582,296 0.603,297 0.345,298 0.345,299 0.345,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 44.936,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 62.5,331 309,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.558,342 3.775,343 6.547,344 4.059,345 3.091,346 4.516,348 10.36,349 2.991,350 4.235,351 3.108,352 6.051,353 3.731,354 2.756,355 3.917,357 8.469,358 2.685,359 3.779,360 2.653,361 5.731,362 3.36,363 2.368,364 3.241,366 7.146,367 2.35,368 3.741,369 2.398,370 5.292,371 3.298,372 2.312,373 3.198,375 6.727,376 2.273,377 3.433,378 2.21,379 5.096,380 2.935,381 1.973,382 2.776,384 5.921,385 1.892,386 3.011,387 1.91,388 4.694,389 2.571,390 1.615,391 2.12,393 4.399,394 1.534,395 2.914,396 1.882,397 4.156,398 2.239,399 1.266,400 2.012,402 3.456,403 1.235,404 2.729,405 1.372,406 3.912,407 2.23,408 1.235,409 1.818,411 3.009,412 1.222,413 2.633,414 1.175,415 3.768,416 2.069,417 1.083,418 1.639,420 2.793,421 1.067,422 2.358,423 1,424 3.32,425 1.8,426 0.829,427 1.178,428 1.874,429 0.803,430 2.126,431 0.934,432 3.111,433 1.449,434 0.481,435 0.746,436 0.89,437 0.465,438 1.836,439 0.678,440 2.802,441 1.183,442 0.225,443 0.347,445 0.43,446 0.215,447 1.251,448 0.42,449 2.744,450 0.88,451 -0.101,452 -0.129,454 -0.235,455 -0.099,456 1,457 0.349,458 2.35,459 0.39,460 -0.586,461 -0.783,463 -1.265,464 -0.572,465 13.167,466 0.47,467 0.938,468 0.033,469 40.5,470 1.446,471 23,472 0.821,473 17.5,474 0.625,475 19.463,476 0.695,477 30.033,478 0.667,479 34.455,480 1.231,481 8.168,482 0.292,483 5.067,484 0.181,485 0.215,486 0.063,487 0.319,493 0.323,494 1.211,495 0.743,496 1.216,497 0.597,498 0.943,499 0.581,500 1.109,501 0.692,502 0.848,503 0.491,504 0.77,505 0.855,506 1.245,507 1.212,508 1.273,509 0.672,510 1.059,511 1.332,512 1.211,513 1.384,514 1.315,515 1.344,516 1.195,517 1.211,518 0.911,519 0.981,520 0.911,521 1.336,522 0.894,523 0.826,524 1.143,525 0.995,526 1.077,527 0.703,528 1.091,529 1.087,530 0.732,531 0.991,532 0.739,533 1.09,534 0.883,535 1.186,536 0.835,537 0.962,538 0.822,539 1.178,540 0.853,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 32226,553 1.964,554 37.8,555 3,556 11,557 1,558 2,564 1.711,565 1.778,566 3.432,567 -0.636,569 1,573 82.978,574 1.844,575 3.91,576 4.889,577 5.147,578 5.147,579 5.147,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 247.133,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 1,607 0.944,608 140.493,609 0.292,610 0.001,611 0.22,612 -0.084,613 -0.095,614 -0.025,615 0.225,616 0.001,617 0.193,618 0.144,619 0.24,620 0.148,621 -0.063,622 -0.116,623 -0.139,624 -0.143,625 0.062,626 -0.112,627 -0.245,628 -0.21,629 -0.272,630 -0.232,631 -0.197,632 -0.23,633 -0.086,634 0.045,635 0.077,636 0.064,637 -0.201,638 0.079,639 0.27,640 -0.114,641 -0.036,642 -0.147,643 0.37,644 -0.186,645 0.003,646 0.207,647 0.007,648 0.161,649 -0.032,650 0.093,651 -0.195,652 0.086,653 0.027,654 0.175,655 -0.137,656 0.169,657 4.974,658 5.807,659 0.536,660 23.745,661 1.027,662 1.128,663 2.617,664 6.848,665 0.69,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.674,678 399.47,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 11.1,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 45,733 22,734 1,735 30,737 47,738 18,739 13,740 3,741 3,742 3,746 3,747 4,752 1,761 16,762 2,766 6,767 1,768 1,769 1,771 4,773 2,774 1,778 1,781 17,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,830 1,831 1,840 2,842 1,844 2,848 28,852 1,859 1,870 8.9,873 2,876 2,877 15.75,878 8.833,879 6.111,880 2.374,881 3.913,882 1.54,883 0.973,884 5.319,885 11.161,886 3.807,887 4.486,888 5.074,889 5.636,890 6.156,891 6.546,892 6.848,893 7.137,894 7.206,895 7.483,896 1,897 47,898 10.637,900 4.904,901 8.211,902 18.835,904 15.233,905 2.711,906 75.917,909 1,910 200.109,911 138.804,912 41.556,914 95.06,916 5.807,917 132.997,918 295.169,919 41.556,920 22.892,921 15.767,922 71.712,923 93.566,924 42.135,925 13.915,926 164.795,927 50.747,928 200.109,929 174.553,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 37.096,938 96.6,939 46.664,941 200.109,942 136.616,943 138.804,945 5.807,946 200.109,947 16.008,948 109.451,950 144.153,951 200.109,952 136.616,953 138.804,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.128,962 6,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 130.606,973 1,974 19.74,975 7.545,976 3.842,977 0.735,978 129.782,979 10.693,980 4.186,984 1.41,987 475.529,988 44,989 3.721,990 -0.641,991 -4.057,993 47.554,995 3.065,996 4.007,999 46.196,1000 50.74,1001 0.336,1002 0.712,1003 0.89,1004 0.937,1005 0.937,1006 0.937,1007 5.056,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.173,1013 2.501,1014 6.81,1015 4.414,1016 6.335,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.223,1025 7.708,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.574,1031 4.154,1032 11.178,1033 6.039,1034 9.126,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.556,1040 4.506,1041 13.319,1042 6.627,1043 10.58,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.319,1049 5.948,1050 16.031,1051 7.989,1052 12.06,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.626,1058 6.556,1059 18.475,1060 8.896,1061 13.56,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.24,1067 7.794,1068 21.105,1069 10.108,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.682,1076 8.548,1077 23.657,1078 11.152,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.247,1085 9.67,1086 26.27,1087 12.315,1088 2.756,1089 10.36,1090 22.722,1091 4.803,1092 14.159,1093 17.747,1094 10.509,1095 28.861,1096 13.419,1097 2.368,1098 8.469,1099 24.714,1100 4.516,1101 15.392,1102 19.296,1103 11.563,1104 31.474,1105 14.57,1106 2.312,1107 7.146,1108 26.716,1109 3.917,1110 16.616,1111 20.823,1112 12.452,1113 34.08,1114 15.702,1115 1.973,1116 6.727,1117 28.725,1118 3.241,1119 17.854,1120 22.369,1121 13.468,1122 36.695,1123 16.853,1124 1.615,1125 5.921,1126 30.739,1127 3.198,1128 19.091,1129 23.908,1130 14.386,1131 39.308,1132 17.999,1133 9087,1134 17233,1135 18.898,1136 31.063,1137 46.493,1138 47.881,1139 48.352,1140 45.555,1141 45.538,1142 64.623,1143 5.225,1144 138.406,1145 43.974,1146 5.762,1147 6.741,1148 7.247,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.851,1156 1.55,1157 1.596,1158 1.612,1159 1.518,1160 1.518,1161 2.154,1162 0.174,1163 4.614,1164 1.466,1165 4.147,1166 4.18,1167 4.742,1168 4.086,1169 7.815,1170 4.031,1171 4.081,1172 4.085,1173 4.088,1174 3.976,1175 7.715,1176 3.975,1177 3.789,1178 3.79,1179 3.881,1180 3.615,1181 6.999,1182 3.571,1183 3.559,1184 3.6,1185 3.486,1186 3.454,1187 6.999,1188 3.446,1189 3.475,1190 3.519,1191 3.433,1192 3.154,1193 5.091,1194 3.202,1195 3.257,1196 3.302,1197 3.203,1198 3.088,1199 4.725,1200 3.082,1201 3.102,1202 3.176,1203 2.944,1204 2.895,1205 4.649,1206 2.877,1207 3.005,1208 3.082,1209 2.8,1210 2.682,1211 4.563,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.024,1234 2.11,1235 1.234,1236 2.108,1237 1.935,1238 1.903,1239 2.018,1240 2.067,1241 1.135,1242 2.052,1243 1.603,1244 1.588,1245 1.696,1246 1.857,1247 0.793,1248 1.833,1249 1.454,1250 1.443,1251 1.601,1252 1.699,1253 0.653,1254 1.648,1255 1.366,1256 1.296,1257 1.565,1258 1.596,1259 0.612,1260 1.593,1261 1.312,1262 1.258,1263 1.554,1264 1.554,1265 0.424,1266 1.58,1267 1.075,1268 1.007,1269 1.151,1270 1.325,1271 0.421,1272 1.376,1273 0.907,1274 0.84,1275 1.107,1276 1.25,1277 0.102,1278 1.259,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 2.835,1300 0.778,1305 30.314,1306 82.978,1307 175.96,1308 220.014,1309 231.624,1310 231.624,1311 231.624,1312 72.133,1313 7.248,1314 112.86,1315 121.24,1316 17,1317 12.643,1318 4.524,1319 3.907,1320 49.743,1321 111,1322 109,1323 0.22,1324 193.066,1325 332.45,1326 462.841,1327 13573,1329 20.474,1330 0.731,1331 0.571,1332 20.724,1333 15.997,1334 13.234,1335 0.441,1336 0.319,1337 8.09,1338 11.761,1339 7.72,1340 6.474,1341 14.023,1342 9.556,1343 12.549,1344 0.285,1345 0.18,1346 13.892,1347 7.903,1348 10.623,1349 0.183,1350 0.103,1351 12.009,1352 5.964,1353 7.865,1354 0.112,1355 0.054,1356 8.911,1357 3.771,1358 6.123,1359 0.072,1360 0.029,1361 6.96,1362 2.478,1363 0.345,1364 92.312,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 536.028,1370 206.866,1371 535.492,1372 715.41,1373 488,1374 176,1375 508.21,1376 243.32,1377 544.175,1378 785.28,1379 506,1380 6.886}
{0 CHEMBL1928536,1 1.862,2 11.036,3 4.368,4 19.083,5 106.687,6 9.243,7 0.533,8 3.893,9 3.982,10 3.784,11 3.465,12 5.176,13 3.45,14 4.374,15 4.502,16 4.1,17 3.821,18 5.89,19 3.815,20 4.554,21 4.68,22 4.179,23 3.98,24 5.984,25 3.947,26 4.726,27 4.88,28 4.094,29 3.946,30 6.14,31 3.905,32 4.655,33 4.846,34 4.038,35 3.792,36 5.994,37 3.765,38 4.529,39 4.687,40 4.005,41 3.713,42 6.253,43 3.701,44 4.562,45 4.779,46 3.768,47 3.641,48 5.977,49 3.588,50 4.29,51 4.472,52 3.62,53 3.558,54 5.596,55 3.503,56 0.224,57 0.703,58 7.86,59 3.85,60 21.457,61 3.827,62 0.531,63 1.058,64 13,65 5.745,66 82.227,67 6.09,68 0.456,69 1.262,70 18.459,71 7.851,72 46.24,73 7.434,74 0.76,75 1.348,76 26.275,77 9.392,78 118.715,79 8.704,80 0.854,81 1.214,82 25.407,83 8.247,84 132.258,85 8.353,86 0.866,87 1.115,88 18.31,89 6.4,90 143.141,91 6.824,92 0.858,93 1.064,94 23.097,95 7.156,96 108.943,97 8.055,98 0.485,99 0.825,100 16.579,101 6.288,102 80.313,103 6.651,104 54,105 44,106 0.315,107 0.702,108 0.82,109 0.865,110 0.865,111 0.865,112 3.375,113 0.94,114 -3.85,115 -3.81,116 -3.61,119 41.9,120 1,124 1,140 1,141 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,166 4,172 7,174 4,175 7,183 9,186 2,187 15,195 6,198 2,199 14,207 2,211 5,212 14,220 1,223 7,224 7,232 2,236 6,237 5,245 2,250 8,258 3,263 10,271 4,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.539,282 13.713,283 10.272,284 18.523,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.375,291 9.33,292 4.709,293 15.182,294 3.564,295 1.282,296 0.584,297 0.314,298 0.314,299 0.314,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 46.139,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 62.5,331 309,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.562,342 3.775,343 6.547,344 4.059,345 3.091,346 4.519,348 10.36,349 2.991,350 4.235,351 3.152,352 6.051,353 3.731,354 2.756,355 3.917,357 8.469,358 2.685,359 3.894,360 2.752,361 5.731,362 3.36,363 2.368,364 3.279,366 7.146,367 2.35,368 3.762,369 2.634,370 5.292,371 3.298,372 2.312,373 3.228,375 6.727,376 2.273,377 3.466,378 2.265,379 5.096,380 2.935,381 1.973,382 2.789,384 5.921,385 1.892,386 3.024,387 1.915,388 4.694,389 2.571,390 1.615,391 2.121,393 4.399,394 1.534,395 3.011,396 1.891,397 4.156,398 2.239,399 1.266,400 2.013,402 3.456,403 1.235,404 2.914,405 1.376,406 3.912,407 2.23,408 1.235,409 1.832,411 3.009,412 1.222,413 2.693,414 1.203,415 3.768,416 2.069,417 1.083,418 1.646,420 2.793,421 1.067,422 2.611,423 1,424 3.32,425 1.8,426 0.829,427 1.249,428 1.874,429 0.803,430 2.197,431 0.96,432 3.111,433 1.449,434 0.481,435 0.834,436 0.89,437 0.465,438 1.854,439 0.761,440 2.802,441 1.183,442 0.225,443 0.359,445 0.43,446 0.215,447 1.251,448 0.437,449 2.744,450 0.88,451 -0.101,452 -0.13,454 -0.235,455 -0.099,456 1,457 0.38,458 2.35,459 0.39,460 -0.586,461 -0.806,463 -1.265,464 -0.572,465 13.167,466 0.47,467 0.938,468 0.033,469 41,470 1.464,471 23.5,472 0.839,473 17.5,474 0.625,475 19.245,476 0.687,477 29.433,478 0.684,479 34.673,480 1.238,481 8.223,482 0.294,483 5.011,484 0.179,485 0.215,486 0.063,487 0.319,493 0.325,494 1.166,495 0.732,496 1.186,497 0.6,498 0.903,499 0.595,500 1.079,501 0.69,502 0.817,503 0.493,504 0.734,505 0.881,506 1.232,507 1.259,508 1.28,509 0.689,510 1.066,511 1.376,512 1.192,513 1.44,514 1.318,515 1.377,516 1.203,517 1.25,518 0.903,519 1.011,520 0.914,521 1.377,522 0.898,523 0.821,524 1.135,525 0.996,526 1.079,527 0.719,528 1.087,529 1.095,530 0.723,531 1.007,532 0.74,533 1.109,534 0.888,535 1.178,536 0.855,537 0.983,538 0.86,539 1.184,540 0.894,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 33943,553 1.964,554 34.9,555 3,556 8,557 2,558 2,564 1.711,565 1.778,566 3.432,567 -0.636,569 1,573 80.058,574 1.862,575 4.144,576 4.842,577 5.112,578 5.112,579 5.112,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 233.329,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 1,607 0.944,608 140.493,609 0.29,610 0.01,611 0.218,612 -0.088,613 -0.086,614 -0.026,615 0.215,616 0.015,617 0.188,618 0.155,619 0.235,620 0.158,621 -0.087,622 -0.118,623 -0.19,624 -0.166,625 0.047,626 -0.147,627 -0.277,628 -0.199,629 -0.31,630 -0.232,631 -0.229,632 -0.24,633 -0.109,634 0.054,635 0.07,636 0.076,637 -0.23,638 0.091,639 0.283,640 -0.117,641 -0.025,642 -0.14,643 0.365,644 -0.178,645 0.004,646 0.214,647 0.022,648 0.185,649 -0.04,650 0.123,651 -0.19,652 0.044,653 0.022,654 0.154,655 -0.146,656 0.152,657 4.99,658 5.794,659 0.536,660 23.745,661 1.031,662 1.124,663 2.617,664 6.848,665 0.705,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.693,678 397.45,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 11.6,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 43,733 22,734 1,735 30,737 45,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 2,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 15,782 7,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,819 1,821 1,840 2,842 1,844 2,848 28,852 1,859 1,861 1,862 1,868 1,870 9.3,873 2,876 2,877 15.75,878 8.583,879 6.111,880 2.27,881 4.003,882 1.552,883 0.976,884 5.195,885 11.251,886 3.829,887 4.497,888 5.093,889 5.652,890 6.177,891 6.586,892 6.902,893 7.183,894 7.28,895 7.562,896 1,897 47,898 10.623,900 4.913,901 8.265,902 18.683,904 15.083,905 2.765,906 77.417,909 1,910 176.567,911 153.913,912 41.556,914 95.06,916 5.807,917 148.105,918 271.626,919 41.556,920 22.892,922 62.236,923 93.566,924 42.135,925 66.038,926 129.482,927 50.747,928 176.567,929 189.661,930 95.06,931 5.807,933 176.567,934 44.313,935 50.747,937 37.096,938 104.155,939 54.218,941 176.567,942 136.616,943 153.913,945 5.807,946 176.567,947 16.008,948 99.975,949 17.031,950 151.707,951 176.567,952 136.616,953 153.913,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.111,962 5,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 130.606,973 1,974 19.564,975 7.435,976 3.776,977 0.663,978 129.782,979 10.323,980 4.151,984 1.092,987 467.095,988 45,990 -0.649,991 -4.074,993 47.514,995 1.34,996 3.981,999 44.313,1000 48.325,1001 0.343,1002 0.764,1003 0.892,1004 0.942,1005 0.942,1006 0.942,1007 5.088,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.185,1013 2.501,1014 6.81,1015 4.414,1016 6.373,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.223,1025 7.747,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.585,1031 4.154,1032 11.178,1033 6.039,1034 9.163,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.56,1040 4.506,1041 13.319,1042 6.627,1043 10.614,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.328,1049 5.948,1050 16.031,1051 7.989,1052 12.09,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.631,1058 6.556,1059 18.475,1060 8.896,1061 13.587,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.246,1067 7.794,1068 21.105,1069 10.108,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.687,1076 8.548,1077 23.657,1078 11.152,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.251,1085 9.67,1086 26.27,1087 12.315,1088 2.756,1089 10.36,1090 22.722,1091 4.803,1092 14.159,1093 17.751,1094 10.509,1095 28.861,1096 13.419,1097 2.368,1098 8.469,1099 24.714,1100 4.519,1101 15.392,1102 19.3,1103 11.563,1104 31.474,1105 14.57,1106 2.312,1107 7.146,1108 26.716,1109 3.917,1110 16.616,1111 20.826,1112 12.452,1113 34.08,1114 15.702,1115 1.973,1116 6.727,1117 28.725,1118 3.279,1119 17.854,1120 22.372,1121 13.468,1122 36.695,1123 16.853,1124 1.615,1125 5.921,1126 30.739,1127 3.228,1128 19.091,1129 23.911,1130 14.386,1131 39.308,1132 17.999,1133 9087,1134 17657,1135 18.898,1136 30.301,1137 47.367,1138 48.009,1139 48.352,1140 45.555,1141 45.538,1142 65.178,1143 5.225,1144 138.406,1145 43.974,1146 5.762,1147 6.741,1148 7.247,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.851,1156 1.579,1157 1.6,1158 1.612,1159 1.518,1160 1.518,1161 2.173,1162 0.174,1163 4.614,1164 1.466,1165 4.145,1166 4.176,1167 4.742,1168 4.086,1169 7.815,1170 4.03,1171 4.08,1172 4.084,1173 4.087,1174 3.973,1175 7.715,1176 3.974,1177 3.789,1178 3.789,1179 3.881,1180 3.614,1181 6.999,1182 3.57,1183 3.525,1184 3.56,1185 3.476,1186 3.431,1187 6.999,1188 3.428,1189 3.463,1190 3.498,1191 3.431,1192 3.152,1193 5.451,1194 3.201,1195 3.22,1196 3.26,1197 3.19,1198 3.046,1199 5.053,1200 3.048,1201 3.076,1202 3.151,1203 2.925,1204 2.888,1205 4.65,1206 2.869,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.575,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.926,1238 1.896,1239 1.998,1240 2.057,1241 1.11,1242 2.038,1243 1.6,1244 1.587,1245 1.687,1246 1.857,1247 0.79,1248 1.832,1249 1.448,1250 1.435,1251 1.565,1252 1.699,1253 0.632,1254 1.648,1255 1.312,1256 1.259,1257 1.563,1258 1.583,1259 0.612,1260 1.588,1261 1.255,1262 1.208,1263 1.375,1264 1.406,1265 0.421,1266 1.403,1267 1.074,1268 1.006,1269 1.15,1270 1.324,1271 0.146,1272 1.374,1273 0.907,1274 0.84,1275 1.093,1276 1.25,1277 0.086,1278 1.259,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 2.809,1300 0.758,1302 5.402,1304 2.52,1305 29.787,1306 80.058,1307 178.21,1308 208.21,1309 219.82,1310 219.82,1311 219.82,1312 73.114,1313 7.248,1314 112.86,1315 121.24,1316 17,1317 12.643,1318 4.524,1319 4,1320 49.743,1321 111,1322 109,1323 0.22,1324 190.138,1325 329.81,1326 455.698,1327 13573,1329 20.474,1330 0.731,1331 0.564,1332 20.724,1333 15.79,1334 13.234,1335 0.441,1336 0.313,1337 7.932,1338 11.761,1339 7.572,1340 6.34,1341 14.023,1342 9.398,1343 12.549,1344 0.285,1345 0.177,1346 13.892,1347 7.799,1348 10.623,1349 0.183,1350 0.101,1351 12.009,1352 5.871,1353 7.865,1354 0.112,1355 0.053,1356 8.911,1357 3.717,1358 6.123,1359 0.072,1360 0.029,1361 6.96,1362 2.435,1363 0.345,1364 92.312,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 548.028,1370 206.866,1371 549.322,1372 731.8,1373 500,1374 176,1375 518.21,1376 243.32,1377 555.381,1378 799.59,1379 516,1380 8.62}
{0 CHEMBL1928537,1 1.902,2 11.8,3 3.097,4 9.59,5 110.111,6 9.18,7 0.5,8 3.987,9 4.072,10 3.853,11 3.5,12 5.258,13 3.502,14 4.491,15 4.622,16 4.175,17 3.858,18 6.01,19 3.867,20 4.63,21 4.747,22 4.264,23 4.017,24 6.085,25 4.006,26 4.836,27 4.98,28 4.19,29 3.996,30 6.267,31 3.981,32 4.755,33 4.931,34 4.142,35 3.874,36 6.094,37 3.86,38 4.692,39 4.856,40 4.139,41 3.809,42 6.367,43 3.81,44 4.698,45 4.914,46 3.891,47 3.736,48 6.1,49 3.697,50 4.431,51 4.61,52 3.721,53 3.661,54 5.723,55 3.602,56 0.277,57 0.755,58 8.688,59 4.315,60 23.895,61 4.322,62 0.788,63 1.125,64 16.157,65 6.407,66 101.007,67 6.899,68 0.588,69 1.323,70 19.611,71 8.403,72 52.92,73 8.136,74 1.105,75 1.394,76 29.535,77 9.81,78 154.78,79 9.156,80 1.084,81 1.267,82 26.852,83 8.566,84 142.836,85 9.05,86 1.08,87 1.214,88 22.438,89 7.41,90 159.254,91 8.697,92 1.159,93 1.135,94 27.047,95 7.502,96 130.776,97 8.926,98 0.671,99 0.935,100 17.998,101 6.813,102 85.189,103 7.631,104 70,105 47,106 0.318,107 0.68,108 0.823,109 0.864,110 0.864,111 0.864,112 3.44,113 0.931,114 -3.47,115 -3.45,116 -3.3,119 38.3,120 1,124 2,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 5,175 9,183 6,186 2,187 19,195 4,198 2,199 13,207 1,211 7,212 14,223 9,224 5,232 2,236 8,237 3,245 2,249 2,250 7,258 3,263 8,271 4,275 1410,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 16.746,282 14.179,283 10.914,284 19.886,285 15.607,286 15.607,287 15.607,288 15.607,289 15.607,290 11.313,291 10.559,292 4.991,293 16.252,294 3.652,295 1.492,296 0.636,297 0.389,298 0.389,299 0.389,300 4.112,304 1,305 1,306 738,307 4.637,310 73.82,311 196.785,314 135.281,318 1.68,319 55.319,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 1,329 0.63,330 68.5,331 354,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.57,342 3.775,343 6.561,344 4.081,345 3.111,346 4.523,347 1.674,348 10.409,349 3.018,350 4.236,351 3.653,352 6.051,353 3.732,354 2.757,355 3.917,357 8.47,358 2.687,359 4.02,360 3.078,361 5.968,362 3.652,363 2.664,364 3.461,366 8.344,367 2.618,368 3.763,369 2.649,370 5.731,371 3.306,372 2.325,373 3.233,375 7.142,376 2.278,377 3.473,378 2.303,379 5.131,380 2.979,381 2.015,382 2.819,384 6.002,385 1.935,386 3.011,387 2,388 4.694,389 2.573,390 1.617,391 2.136,393 4.402,394 1.534,395 2.956,396 1.904,397 4.273,398 2.457,399 1.495,400 2.061,402 3.854,403 1.422,404 2.914,405 1.824,406 4.033,407 2.235,408 1.237,409 2.01,411 3.2,412 1.234,413 2.683,414 1.461,415 3.907,416 2.187,417 1.216,418 1.743,420 2.988,421 1.176,422 2.599,423 1.368,424 3.768,425 2.057,426 1.072,427 1.595,428 2.785,429 1.053,430 2.185,431 1.151,432 3.304,433 1.697,434 0.752,435 1.036,436 1.756,437 0.707,438 1.849,439 1,440 3.1,441 1.253,442 0.319,443 0.442,445 0.692,446 0.295,447 1.47,448 0.915,449 2.766,450 1.091,451 0.154,452 0.194,454 0.224,455 0.142,456 1.251,457 0.582,458 2.582,459 0.88,460 -0.101,461 -0.129,463 -0.235,464 -0.099,465 13.833,466 0.461,467 1.027,468 0.034,469 42.25,470 1.408,471 23,472 0.767,473 19.25,474 0.642,475 21.903,476 0.73,477 32.967,478 0.701,479 37.828,480 1.261,481 8.62,482 0.287,483 5.526,484 0.184,485 0.229,486 0.06,487 0.34,493 0.448,494 1.289,495 0.722,496 1.282,497 0.582,498 0.968,499 0.687,500 1.04,501 0.686,502 0.767,503 0.511,504 0.687,505 0.855,506 1.331,507 1.194,508 1.344,509 0.701,510 1.089,511 1.423,512 1.183,513 1.43,514 1.266,515 1.448,516 1.166,517 1.102,518 0.948,519 1.017,520 0.97,521 1.282,522 0.975,523 0.714,524 1.175,525 0.897,526 1.112,527 0.657,528 1.092,529 1.017,530 0.662,531 0.988,532 0.657,533 1.016,534 0.832,535 0.917,536 0.959,537 1.018,538 0.973,539 1.018,540 1.072,541 8,542 0.202,543 5.556,544 2.667,545 1.884,546 1.587,547 0.843,548 0.482,549 0.344,550 0.315,551 11041,552 43268,553 1.948,554 36.2,555 3,556 11,557 1,558 2,564 1.728,565 1.756,566 3.525,567 -0.594,568 1,569 1,573 89.401,574 1.902,575 4.062,576 4.919,577 5.166,578 5.166,579 5.166,580 2.911,581 4.548,582 4.881,583 3.685,584 1603.14,585 8.513,586 22346.4,588 1,590 1,591 261.066,592 1.731,593 4.788,594 0.25,595 0.007,596 0.118,597 0.052,598 0.042,599 0.039,600 0.021,601 0.015,602 0.012,603 0.011,604 0.566,605 0.33,606 0.88,607 1.096,608 154.412,609 0.188,610 -0.05,611 0.204,612 -0.118,613 -0.075,614 -0.042,615 0.16,616 0.065,617 0.207,618 0.24,619 0.212,620 0.241,621 -0.099,622 -0.162,623 -0.16,624 -0.185,625 0.046,626 -0.143,627 -0.345,628 -0.177,629 -0.33,630 -0.18,631 -0.268,632 -0.211,633 -0.086,634 0.033,635 0.009,636 0.008,637 -0.222,638 -0.005,639 0.256,640 -0.167,641 0.06,642 -0.17,643 0.32,644 -0.146,645 -0.018,646 0.277,647 0.017,648 0.232,649 -0.03,650 0.16,651 -0.08,652 0.007,653 -0.072,654 0.022,655 -0.126,656 -0.04,657 5.045,658 5.841,659 0.5,660 27.4,661 1.039,662 1.131,663 2.242,664 5.029,665 0.68,666 3.497,667 3.871,668 4.143,669 4.317,670 4.511,671 4.615,672 4.644,673 4.663,674 4.605,675 4.625,676 6.977,677 0.675,678 431.47,679 3.497,680 5.069,681 5.932,682 6.825,683 7.71,684 8.607,685 9.497,686 10.396,687 11.288,688 12.188,689 10.6,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,721 1,725 1,731 47,733 22,734 1,735 32,737 49,738 18,739 13,740 3,741 3,742 2,746 3,747 4,752 1,761 15,762 3,766 6,768 1,769 1,771 5,773 1,774 1,775 1,778 1,781 17,782 9,784 12,785 1,790 5,794 0.667,795 6,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 30,852 1,856 1,859 1,870 12.8,873 3,875 1,876 2,877 17.083,878 9.583,879 6.556,880 2.437,881 3.909,882 1.527,883 0.956,884 5.989,885 11.334,886 3.85,887 4.53,888 5.111,889 5.662,890 6.186,891 6.6,892 6.931,893 7.222,894 7.32,895 7.614,896 0.875,897 51,898 11.42,900 5.285,901 8.336,902 19.945,904 15.962,905 2.836,906 85.083,909 1,910 200.109,911 131.635,912 41.556,914 131.205,916 5.807,917 125.828,918 331.313,919 41.556,920 33.775,922 62.236,923 125.902,924 53.135,925 13.915,926 164.795,927 50.747,928 200.109,929 167.384,930 131.205,931 5.807,933 200.109,934 80.458,935 50.747,937 37.096,938 98.908,939 37.188,941 200.109,942 172.761,943 131.635,945 5.807,946 200.109,947 23.2,948 110.858,950 164.531,951 200.109,952 172.761,953 131.635,955 0.601,956 0.361,957 0.169,958 0.089,959 22,960 12,961 0.143,962 7,963 1,964 1.133,965 3.929,966 264.31,967 0.133,968 15,969 143.207,973 1,974 21.589,975 8.322,976 4.265,977 0.513,978 165.927,979 9.685,980 4.119,984 0.548,987 504.505,988 46,990 -0.667,991 -4.128,993 59.391,995 1.271,996 3.956,997 -0.526,999 48.851,1000 53.159,1001 0.342,1002 0.731,1003 0.886,1004 0.93,1005 0.93,1006 0.93,1007 5.106,1008 1.495,1009 5.984,1010 4.402,1011 4.554,1012 5.218,1013 2.88,1014 6.878,1015 4.475,1016 6.385,1017 1.237,1018 7.62,1019 3.854,1020 4.443,1021 5.407,1022 2.361,1023 8.165,1024 4.304,1025 7.76,1026 1.216,1027 9.37,1028 3.2,1029 6.282,1030 7.608,1031 4.375,1032 11.235,1033 6.105,1034 9.179,1035 1.072,1036 11.189,1037 2.988,1038 6.967,1039 8.594,1040 4.506,1041 13.359,1042 6.708,1043 10.632,1044 0.752,1045 13.054,1046 2.785,1047 8.365,1048 10.347,1049 6.057,1050 16.065,1051 8.061,1052 12.111,1053 0.319,1054 14.952,1055 1.756,1056 9.37,1057 11.654,1058 6.556,1059 18.498,1060 8.975,1061 13.608,1062 0.154,1063 16.877,1064 0.692,1065 10.636,1066 13.262,1067 7.844,1068 21.122,1069 10.181,1070 3.535,1071 -0.101,1072 18.822,1073 0.224,1074 11.772,1075 14.702,1076 8.548,1077 23.668,1078 11.225,1079 3.111,1080 13.729,1081 20.784,1082 -0.235,1083 13.004,1084 16.263,1085 9.691,1086 26.278,1087 12.384,1088 2.757,1089 10.409,1090 22.76,1091 4.803,1092 14.196,1093 17.762,1094 10.509,1095 28.867,1096 13.485,1097 2.664,1098 8.47,1099 24.747,1100 4.523,1101 15.425,1102 19.309,1103 11.572,1104 31.478,1105 14.632,1106 2.325,1107 8.344,1108 26.743,1109 3.917,1110 16.645,1111 20.834,1112 12.452,1113 34.083,1114 15.76,1115 2.015,1116 7.142,1117 28.748,1118 3.461,1119 17.879,1120 22.38,1121 13.471,1122 36.697,1123 16.908,1124 1.617,1125 6.002,1126 30.758,1127 3.233,1128 19.113,1129 23.918,1130 14.386,1131 39.31,1132 18.051,1133 10975,1134 21911,1135 19.997,1136 31.972,1137 49.129,1138 52.2,1139 52.063,1140 48.484,1141 48.536,1142 67.948,1143 8.574,1144 147.994,1145 46.705,1146 5.762,1147 6.741,1148 7.242,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 20.195,1156 1.535,1157 1.631,1158 1.627,1159 1.515,1160 1.517,1161 2.123,1162 0.268,1163 4.625,1164 1.46,1165 4.147,1166 4.178,1167 4.742,1168 4.086,1169 7.815,1170 4.03,1171 4.081,1172 4.084,1173 4.091,1174 3.97,1175 7.715,1176 3.973,1177 3.789,1178 3.79,1179 3.881,1180 3.614,1181 7.433,1182 3.569,1183 3.57,1184 3.583,1185 3.532,1186 3.399,1187 6.999,1188 3.413,1189 3.478,1190 3.516,1191 3.436,1192 3.152,1193 6.999,1194 3.2,1195 3.296,1196 3.336,1197 3.241,1198 3.035,1199 5.075,1200 3.063,1201 3.141,1202 3.206,1203 3.007,1204 2.901,1205 4.65,1206 2.889,1207 3.011,1208 3.096,1209 2.826,1210 2.782,1211 4.584,1212 2.78,1213 0.155,1214 0.148,1215 0.241,1216 0.139,1217 0.11,1218 4.96,1219 0.15,1220 4.741,1221 0.082,1222 7.698,1223 0.429,1224 4.463,1225 0.102,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.921,1238 1.893,1239 1.992,1240 2.066,1241 1.123,1242 2.042,1243 1.599,1244 1.586,1245 1.687,1246 1.857,1247 0.791,1248 1.832,1249 1.447,1250 1.434,1251 1.593,1252 1.699,1253 0.641,1254 1.648,1255 1.312,1256 1.259,1257 1.565,1258 1.632,1259 0.612,1260 1.601,1261 1.279,1262 1.237,1263 1.56,1264 1.577,1265 0.577,1266 1.586,1267 1.077,1268 1.01,1269 1.177,1270 1.328,1271 0.421,1272 1.376,1273 1.002,1274 0.922,1275 1.147,1276 1.278,1277 0.17,1278 1.266,1279 4.174,1281 5.533,1282 2.398,1283 7.084,1284 4.727,1285 8.719,1286 6.823,1287 10.399,1289 4.018,1297 4.693,1300 0.715,1305 31.744,1306 89.401,1307 190.927,1308 231.191,1309 242.801,1310 242.801,1311 242.801,1312 87.529,1313 7.424,1314 139.16,1315 147.54,1316 17,1317 12.712,1318 4.524,1319 3.907,1320 55.382,1321 128,1322 123,1323 0.214,1324 201.058,1325 350.03,1326 482.342,1327 17014,1329 22.052,1330 0.735,1331 0.568,1332 22.302,1333 17.029,1334 14.145,1335 0.442,1336 0.31,1337 8.404,1338 12.451,1339 8.02,1340 6.715,1341 14.934,1342 9.926,1343 13.421,1344 0.286,1345 0.173,1346 14.763,1347 8.146,1348 11.427,1349 0.184,1350 0.099,1351 12.813,1352 6.126,1353 8.287,1354 0.112,1355 0.052,1356 9.334,1357 3.873,1358 6.382,1359 0.071,1360 0.028,1361 7.219,1362 2.524,1363 0.338,1364 99.469,1365 0.224,1366 28.259,1367 0.583,1368 158,1369 635.499,1370 222.069,1371 617.962,1372 815.28,1373 564,1374 188,1375 568.392,1376 259.972,1377 602.685,1378 870.75,1379 558,1380 6.444}
{0 CHEMBL1928538,1 1.923,2 11.138,3 2.244,4 5.033,5 107.164,6 9.255,7 0.516,8 3.947,9 4.044,10 3.82,11 3.471,12 5.236,13 3.47,14 4.433,15 4.564,16 4.151,17 3.841,18 5.99,19 3.844,20 4.62,21 4.744,22 4.228,23 3.997,24 6.078,25 3.978,26 4.792,27 4.947,28 4.149,29 3.965,30 6.222,31 3.939,32 4.731,33 4.926,34 4.098,35 3.819,36 6.072,37 3.802,38 4.608,39 4.768,40 4.091,41 3.736,42 6.344,43 3.745,44 4.637,45 4.856,46 3.819,47 3.67,48 6.074,49 3.624,50 4.351,51 4.543,52 3.669,53 3.574,54 5.655,55 3.523,56 0.27,57 0.755,58 8.383,59 3.918,60 30.12,61 3.938,62 0.633,63 1.119,64 13.985,65 6.015,66 100.612,67 6.629,68 0.609,69 1.319,70 19.682,71 8.156,72 68.627,73 7.862,74 0.966,75 1.37,76 27.89,77 9.335,78 146.964,79 9.019,80 1.054,81 1.225,82 27.599,83 8.283,84 157.649,85 8.984,86 1.003,87 1.144,88 19.798,89 6.407,90 157.041,91 7.267,92 1.057,93 1.062,94 24.96,95 7.033,96 133.643,97 8.289,98 0.636,99 0.852,100 18.07,101 6.384,102 93.902,103 7.158,104 69,105 46,106 0.324,107 0.704,108 0.824,109 0.868,110 0.868,111 0.868,112 3.408,113 0.929,114 -2.83,115 -2.84,116 -2.75,119 37.8,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,163 1,164 1,165 1,166 4,172 5,174 4,175 8,177 1,178 1,180 1,183 6,185 1,186 2,187 17,192 2,195 4,197 2,198 2,199 13,207 1,211 6,212 13,214 1,215 1,217 1,222 1,223 8,224 5,226 1,227 1,232 2,236 7,237 3,239 1,240 1,245 2,249 1,250 7,252 1,253 1,258 3,263 8,271 4,275 1297,276 18.548,277 18.548,278 18.548,279 18.548,280 18.548,281 15.824,282 13.739,283 10.412,284 18.839,285 15.187,286 15.187,287 15.187,288 15.187,289 15.187,290 10.899,291 10.812,292 4.836,293 15.688,294 3.569,295 1.314,296 0.603,297 0.345,298 0.345,299 0.345,300 4.078,304 1,305 1,306 676,307 4.528,310 70.509,311 189.074,314 129.743,318 1.6,319 54.416,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 66,331 323,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.569,342 3.775,343 6.559,344 4.079,345 3.107,346 4.522,347 0.98,348 10.398,349 3.02,350 4.236,351 3.508,352 6.051,353 3.731,354 2.756,355 3.917,357 8.47,358 2.687,359 3.986,360 3.07,361 5.87,362 3.623,363 2.616,364 3.435,366 8,367 2.623,368 3.763,369 2.649,370 5.731,371 3.306,372 2.325,373 3.233,375 7.142,376 2.278,377 3.468,378 2.3,379 5.129,380 2.973,381 2.007,382 2.815,384 5.991,385 1.933,386 3.011,387 1.991,388 4.694,389 2.572,390 1.616,391 2.127,393 4.4,394 1.534,395 2.915,396 1.904,397 4.203,398 2.378,399 1.38,400 2.016,402 3.623,403 1.368,404 2.892,405 1.818,406 3.918,407 2.234,408 1.236,409 1.982,411 3.037,412 1.234,413 2.675,414 1.368,415 3.779,416 2.164,417 1.173,418 1.719,420 2.856,421 1.157,422 2.588,423 1.152,424 3.756,425 2.05,426 1.061,427 1.571,428 2.745,429 1.047,430 2.179,431 1,432 3.29,433 1.676,434 0.722,435 1.013,436 1.709,437 0.685,438 1.845,439 0.916,440 3.093,441 1.228,442 0.277,443 0.407,445 0.651,446 0.262,447 1.251,448 0.588,449 2.764,450 0.88,451 -0.101,452 -0.129,454 -0.234,455 -0.098,456 1,457 0.408,458 2.354,459 0.423,460 -0.558,461 -0.71,463 -1.388,464 -0.543,465 13.4,466 0.462,467 1.065,468 0.037,469 41.5,470 1.431,471 23,472 0.793,473 18.5,474 0.638,475 20.692,476 0.714,477 31.6,478 0.702,479 36.506,480 1.259,481 8.369,482 0.289,483 5.239,484 0.181,485 0.229,486 0.062,487 0.351,493 0.428,494 1.203,495 0.742,496 1.19,497 0.628,498 0.898,499 0.565,500 1.116,501 0.663,502 0.855,503 0.477,504 0.757,505 0.931,506 1.293,507 1.24,508 1.318,509 0.758,510 1.099,511 1.338,512 1.226,513 1.418,514 1.331,515 1.304,516 1.22,517 1.13,518 0.885,519 0.982,520 0.917,521 1.251,522 0.909,523 0.789,524 1.16,525 0.953,526 1.107,527 0.693,528 1.095,529 1.053,530 0.663,531 1.033,532 0.719,533 1.053,534 0.909,535 1.003,536 0.782,537 0.938,538 0.835,539 1.029,540 0.881,541 8,542 0.169,543 5.333,544 2.667,545 1.884,546 1.559,547 0.803,548 0.441,549 0.344,550 0.295,551 10054,552 39451,553 1.946,554 35.6,555 3,556 8,557 1,558 2,559 2,564 1.72,565 1.749,566 3.456,567 0.399,568 1,569 1,573 86.527,574 1.923,575 4.178,576 4.889,577 5.147,578 5.147,579 5.147,580 2.872,581 4.582,582 4.833,583 3.628,584 1473.1,585 8.416,586 19979.3,588 1,590 1,591 247.133,592 1.739,593 4.736,594 0.258,595 0.007,596 0.116,597 0.054,598 0.044,599 0.04,600 0.021,601 0.015,602 0.012,603 0.01,604 0.576,605 0.33,606 0.88,607 0.946,608 147.347,609 0.185,610 0.052,611 0.19,612 -0.036,613 -0.104,614 0.014,615 0.206,616 0.007,617 0.203,618 0.161,619 0.236,620 0.173,621 -0.133,622 -0.152,623 -0.197,624 -0.161,625 0.008,626 -0.15,627 -0.303,628 -0.223,629 -0.316,630 -0.237,631 -0.228,632 -0.248,633 -0.079,634 0.053,635 0.082,636 0.063,637 -0.204,638 0.087,639 0.239,640 -0.142,642 -0.17,643 0.312,644 -0.182,645 -0.019,646 0.251,647 -0.022,648 0.179,649 -0.057,650 0.088,651 -0.09,652 0.135,653 0.061,654 0.182,655 -0.107,656 0.182,657 5.041,658 5.802,659 0.517,660 25.37,661 1.039,662 1.134,663 1.599,664 2.556,665 0.684,666 3.466,667 3.85,668 4.111,669 4.29,670 4.489,671 4.585,672 4.585,673 4.595,674 4.543,675 4.543,676 6.751,677 0.678,678 416.46,679 3.466,680 5.043,681 5.905,682 6.801,683 7.686,684 8.584,685 9.474,686 10.373,687 11.265,688 12.165,689 13.3,692 1,696 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,717 1,725 1,731 45,733 22,734 1,735 31,737 47,738 17,739 13,740 3,741 3,742 2,746 3,747 4,752 1,761 15,762 2,766 6,768 1,769 1,771 5,773 1,774 1,775 1,778 1,781 16,782 9,783 2,784 12,785 1,790 6,794 0.667,795 5,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 29,849 1,852 1,859 1,870 11.1,873 3,876 2,877 16.583,878 8.75,879 6.222,880 2.312,881 3.911,882 1.533,883 0.975,884 5.486,885 11.251,886 3.829,887 4.519,888 5.093,889 5.652,890 6.177,891 6.586,892 6.902,893 7.183,894 7.28,895 7.562,896 1,897 49,898 11.039,900 5.171,901 8.382,902 19.204,904 15.557,905 2.882,906 83.583,910 164.795,911 118.266,912 74.453,914 120.205,916 5.807,917 112.458,918 285,919 74.453,920 22.892,921 32.897,922 62.236,923 123.415,924 42.135,925 13.915,926 129.482,927 50.747,928 164.795,929 186.911,930 120.205,931 5.807,933 164.795,934 69.458,935 50.747,937 69.993,938 85.538,939 37.188,941 164.795,942 194.658,943 118.266,945 5.807,946 164.795,947 20.713,948 99.975,950 186.428,951 164.795,952 194.658,953 118.266,955 0.606,956 0.357,957 0.167,958 0.09,959 22,960 12,961 0.128,962 6,963 1,964 1.133,965 3.845,966 253.119,967 0.133,968 15,969 136.881,973 1,974 20.613,975 7.718,976 4.027,977 0.502,978 187.824,979 9.584,980 4.093,984 0.502,986 32.897,987 477.719,988 45,990 -0.67,991 -4.124,993 58.902,995 1.261,996 3.936,997 -0.613,999 46.742,1000 51.033,1001 0.35,1002 0.761,1003 0.89,1004 0.937,1005 0.937,1006 0.937,1007 5.088,1008 1.38,1009 5.964,1010 4.4,1011 4.533,1012 5.207,1013 2.648,1014 6.86,1015 4.466,1016 6.373,1017 1.236,1018 7.601,1019 3.623,1020 4.443,1021 5.407,1022 2.361,1023 8.152,1024 4.314,1025 7.75,1026 1.173,1027 9.353,1028 3.037,1029 6.263,1030 7.601,1031 4.183,1032 11.219,1033 6.101,1034 9.17,1035 1.061,1036 11.173,1037 2.856,1038 6.957,1039 8.591,1040 4.506,1041 13.348,1042 6.712,1043 10.624,1044 0.722,1045 13.039,1046 2.745,1047 8.351,1048 10.343,1049 5.953,1050 16.055,1051 8.062,1052 12.103,1053 0.277,1054 14.939,1055 1.709,1056 9.359,1057 11.651,1058 6.556,1059 18.491,1060 8.978,1061 13.601,1062 -0.101,1063 16.865,1064 0.651,1065 10.624,1066 13.259,1067 7.795,1068 21.117,1069 10.183,1070 3.535,1071 -0.558,1072 18.811,1073 -0.234,1074 11.762,1075 14.7,1076 8.548,1077 23.665,1078 11.228,1079 3.107,1080 13.729,1081 20.774,1082 -1.388,1083 12.994,1084 16.261,1085 9.67,1086 26.276,1087 12.387,1088 2.756,1089 10.398,1090 22.751,1091 4.803,1092 14.188,1093 17.76,1094 10.509,1095 28.865,1096 13.488,1097 2.616,1098 8.47,1099 24.739,1100 4.522,1101 15.418,1102 19.308,1103 11.563,1104 31.476,1105 14.635,1106 2.325,1107 8,1108 26.737,1109 3.917,1110 16.638,1111 20.833,1112 12.452,1113 34.082,1114 15.764,1115 2.007,1116 7.142,1117 28.742,1118 3.435,1119 17.873,1120 22.379,1121 13.468,1122 36.696,1123 16.912,1124 1.616,1125 5.991,1126 30.754,1127 3.233,1128 19.108,1129 23.917,1130 14.386,1131 39.309,1132 18.054,1133 9972,1134 19931,1135 19.304,1136 30.761,1137 48.429,1138 50.636,1139 50.378,1140 47.627,1141 47.622,1142 67.12,1143 7.184,1144 145.502,1145 46.165,1146 5.762,1147 6.741,1148 7.072,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 19.668,1156 1.562,1157 1.633,1158 1.625,1159 1.536,1160 1.536,1161 2.165,1162 0.232,1163 4.694,1164 1.489,1165 4.147,1166 4.179,1167 4.742,1168 4.086,1169 7.815,1170 4.03,1171 4.082,1172 4.085,1173 4.091,1174 3.971,1175 7.715,1176 3.974,1177 3.789,1178 3.79,1179 3.881,1180 3.614,1181 7.437,1182 3.569,1183 3.562,1184 3.595,1185 3.521,1186 3.403,1187 6.999,1188 3.414,1189 3.476,1190 3.518,1191 3.436,1192 3.151,1193 6.999,1194 3.2,1195 3.254,1196 3.299,1197 3.222,1198 2.994,1199 5.079,1200 3.024,1201 3.1,1202 3.175,1203 2.959,1204 2.874,1205 4.878,1206 2.862,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.65,1212 2.719,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.96,1219 0.155,1220 4.741,1221 0.084,1222 7.698,1223 0.443,1224 4.463,1225 0.105,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.924,1238 1.894,1239 1.996,1240 2.068,1241 1.123,1242 2.046,1243 1.6,1244 1.586,1245 1.687,1246 1.857,1247 0.791,1248 1.832,1249 1.447,1250 1.433,1251 1.565,1252 1.699,1253 0.638,1254 1.648,1255 1.312,1256 1.259,1257 1.563,1258 1.601,1259 0.612,1260 1.589,1261 1.226,1262 1.17,1263 1.382,1264 1.561,1265 0.421,1266 1.526,1267 1.074,1268 1.006,1269 1.15,1270 1.326,1271 0.196,1272 1.376,1273 0.907,1274 0.84,1275 1.102,1276 1.25,1277 0.09,1278 1.259,1279 4.143,1281 5.509,1282 2.398,1283 7.062,1284 4.727,1285 8.698,1286 6.823,1287 10.379,1289 2.745,1293 5.277,1300 0.709,1305 30.524,1306 86.527,1307 188.014,1308 220.014,1309 231.624,1310 231.624,1311 231.624,1312 84.831,1313 7.34,1314 155.95,1315 164.33,1316 17,1317 12.689,1318 4.524,1319 3.907,1320 52.529,1321 119,1322 103,1323 0.218,1324 194.264,1325 334.94,1326 465.764,1327 15226,1329 21.345,1330 0.736,1331 0.559,1332 21.595,1333 16.198,1334 13.607,1335 0.439,1336 0.31,1337 8.112,1338 12.023,1339 7.771,1340 6.485,1341 14.396,1342 9.602,1343 13.279,1344 0.289,1345 0.174,1346 14.622,1347 8.019,1348 10.921,1349 0.182,1350 0.1,1351 12.307,1352 5.989,1353 8.043,1354 0.112,1355 0.053,1356 9.089,1357 3.781,1358 6.242,1359 0.071,1360 0.028,1361 7.079,1362 2.478,1363 0.342,1364 95.414,1365 0.228,1366 27.428,1367 0.594,1368 154,1369 597.076,1370 216.107,1371 589.889,1372 778.76,1373 536,1374 183,1375 546.691,1376 252.814,1377 581.084,1378 838.55,1379 540,1380 6.276}
{0 CHEMBL1928539,1 1.893,2 11.8,3 2.449,4 6,5 112.061,6 8.969,7 0.5,8 4.001,9 4.101,10 3.848,11 3.517,12 5.252,13 3.511,14 4.503,15 4.65,16 4.171,17 3.883,18 5.991,19 3.881,20 4.674,21 4.808,22 4.262,23 4.041,24 6.102,25 4.019,26 4.846,27 4.999,28 4.187,29 4.019,30 6.264,31 3.993,32 4.782,33 4.971,34 4.139,35 3.903,36 6.096,37 3.876,38 4.714,39 4.89,40 4.134,41 3.836,42 6.363,43 3.824,44 4.72,45 4.945,46 3.892,47 3.765,48 6.105,49 3.717,50 4.462,51 4.655,52 3.719,53 3.677,54 5.733,55 3.612,56 0.264,57 0.794,58 9.482,59 4.235,60 20.89,61 4.525,62 0.661,63 1.182,64 16.616,65 6.353,66 89.417,67 7.396,68 0.581,69 1.377,70 22.215,71 8.726,72 56.385,73 9.032,74 0.99,75 1.431,76 30.237,77 9.75,78 142.326,79 9.704,80 1.01,81 1.308,82 28.374,83 8.78,84 135.251,85 9.814,86 1.034,87 1.256,88 23.812,89 7.456,90 155.383,91 9.177,92 1.079,93 1.166,94 27.57,95 7.551,96 122.766,97 9.344,98 0.628,99 0.964,100 19.437,101 6.982,102 82.196,103 8.103,104 70,105 47,106 0.315,107 0.68,108 0.806,109 0.867,110 0.867,111 0.867,112 3.44,113 0.943,114 -3.07,115 -3.06,116 -2.95,119 37.5,120 1,124 2,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 8,178 1,180 1,183 6,186 2,187 17,192 2,195 4,198 2,199 13,207 1,211 6,212 13,215 1,217 1,223 8,224 5,227 1,232 2,236 7,237 3,240 1,245 2,249 1,250 7,253 1,258 3,263 8,271 4,275 1410,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 16.746,282 15.272,283 10.914,284 19.787,285 15.607,286 15.607,287 15.607,288 15.607,289 15.607,290 11.313,291 11.652,292 4.991,293 16.157,294 3.692,295 1.503,296 0.747,297 0.381,298 0.381,299 0.381,300 4.112,304 1,305 1,306 738,307 4.637,310 73.82,311 196.785,314 135.281,318 1.68,319 53.329,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 1,329 0.63,330 68,331 354,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.57,342 3.775,343 6.561,344 4.083,345 3.111,346 4.523,347 1.058,348 10.409,349 3.025,350 4.236,351 3.557,352 6.051,353 3.732,354 2.757,355 3.917,357 8.47,358 2.689,359 4.02,360 3.073,361 5.968,362 3.666,363 2.664,364 3.461,366 8.344,367 2.656,368 3.763,369 2.649,370 5.731,371 3.306,372 2.325,373 3.233,375 7.142,376 2.278,377 3.473,378 2.301,379 5.131,380 2.981,381 2.015,382 2.819,384 6.002,385 1.941,386 3.011,387 1.994,388 4.694,389 2.573,390 1.617,391 2.136,393 4.402,394 1.535,395 2.956,396 1.904,397 4.273,398 2.481,399 1.495,400 2.061,402 3.854,403 1.465,404 2.914,405 1.82,406 4.033,407 2.235,408 1.237,409 2.01,411 3.2,412 1.234,413 2.683,414 1.368,415 3.907,416 2.191,417 1.216,418 1.743,420 2.988,421 1.183,422 2.599,423 1.153,424 3.768,425 2.058,426 1.072,427 1.595,428 2.785,429 1.055,430 2.185,431 1.09,432 3.304,433 1.701,434 0.752,435 1.036,436 1.756,437 0.712,438 1.849,439 1,440 3.1,441 1.268,442 0.319,443 0.442,445 0.692,446 0.301,447 1.47,448 0.915,449 2.766,450 1.139,451 0.154,452 0.194,454 0.224,455 0.15,456 1.251,457 0.58,458 2.582,459 0.88,460 -0.101,461 -0.129,463 -0.235,464 -0.099,465 13.9,466 0.463,467 1.027,468 0.034,469 42.25,470 1.408,471 23,472 0.767,473 19.25,474 0.642,475 22.042,476 0.735,477 32.9,478 0.685,479 37.689,480 1.256,481 8.566,482 0.286,483 5.579,484 0.186,485 0.228,486 0.06,487 0.338,493 0.41,494 1.306,495 0.74,496 1.247,497 0.577,498 0.955,499 0.603,500 1.065,501 0.68,502 0.807,503 0.501,504 0.726,505 0.897,506 1.287,507 1.171,508 1.297,509 0.735,510 1.053,511 1.448,512 1.2,513 1.419,514 1.285,515 1.443,516 1.176,517 1.116,518 0.94,519 0.999,520 0.976,521 1.255,522 0.973,523 0.723,524 1.165,525 0.9,526 1.098,527 0.649,528 1.08,529 1.04,530 0.667,531 0.992,532 0.69,533 1.007,534 0.859,535 0.988,536 0.908,537 1.004,538 0.951,539 1.008,540 1.034,541 8,542 0.202,543 5.556,544 2.667,545 1.884,546 1.587,547 0.843,548 0.482,549 0.344,550 0.315,551 11041,552 41418,553 1.948,554 37.5,555 3,556 11,557 1,558 2,559 1,564 1.728,565 1.756,566 3.525,567 -0.184,568 1,569 1,573 90.841,574 1.893,575 4.082,576 4.838,577 5.204,578 5.204,579 5.204,580 2.911,581 4.548,582 4.881,583 3.685,584 1603.14,585 8.513,586 22346.4,588 1,590 1,591 268.078,592 1.731,593 4.788,594 0.25,595 0.007,596 0.118,597 0.052,598 0.042,599 0.039,600 0.021,601 0.015,602 0.012,603 0.011,604 0.566,605 0.33,606 0.88,607 1.096,608 154.412,609 0.204,610 -0.042,611 0.199,612 -0.083,613 -0.077,614 -0.021,615 0.185,616 0.065,617 0.207,618 0.2,619 0.208,620 0.209,621 -0.093,622 -0.145,623 -0.116,624 -0.137,625 0.041,626 -0.087,627 -0.338,628 -0.187,629 -0.323,630 -0.195,631 -0.255,632 -0.223,633 -0.072,634 0.028,635 0.025,636 0.005,637 -0.203,638 -0.001,639 0.273,640 -0.162,641 0.056,642 -0.156,643 0.324,644 -0.137,645 -0.015,646 0.265,647 -0.004,648 0.196,649 -0.028,650 0.116,651 -0.106,652 0.043,653 -0.052,654 0.046,655 -0.12,656 -0.005,657 5.035,658 5.849,659 0.5,660 27.4,661 1.034,662 1.134,663 1.836,664 3.372,665 0.678,666 3.497,667 3.871,668 4.143,669 4.317,670 4.511,671 4.615,672 4.644,673 4.663,674 4.605,675 4.625,676 6.977,677 0.668,678 430.49,679 3.497,680 5.069,681 5.932,682 6.825,683 7.71,684 8.607,685 9.497,686 10.396,687 11.288,688 12.188,689 12.5,692 1,696 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,718 1,725 1,731 48,733 22,734 1,735 32,737 50,738 18,739 13,740 3,741 3,742 2,746 3,747 4,752 1,761 15,762 3,766 6,768 1,769 1,771 5,773 1,774 1,775 1,778 1,781 18,782 9,783 1,784 12,785 1,790 6,794 0.667,795 5,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 30,852 1,855 1,859 1,870 10.4,873 3,876 2,877 17.083,878 9.667,879 6.556,880 2.541,881 3.909,882 1.527,883 0.966,884 5.989,885 11.334,886 3.85,887 4.53,888 5.111,889 5.662,890 6.186,891 6.6,892 6.931,893 7.222,894 7.32,895 7.614,896 0.875,897 51,898 11.422,900 5.285,901 8.303,902 20.043,904 16.107,905 2.803,906 84.083,909 1,910 200.109,911 126.662,912 59.567,914 120.205,916 5.807,917 120.854,918 320.314,919 59.567,920 31.288,921 18.011,922 62.236,923 123.415,924 42.135,925 13.915,926 164.795,927 50.747,928 200.109,929 180.421,930 120.205,931 5.807,933 200.109,934 69.458,935 50.747,937 55.106,938 93.934,939 37.188,941 200.109,942 179.772,943 126.662,945 5.807,946 200.109,947 20.713,948 108.372,949 18.011,950 153.531,951 200.109,952 179.772,953 126.662,955 0.601,956 0.361,957 0.169,958 0.089,959 22,960 12,961 0.12,962 6,963 1,964 1.133,965 3.929,966 264.31,967 0.133,968 15,969 143.207,973 1,974 21.589,975 8.322,976 4.265,977 0.553,978 172.938,979 9.889,980 4.139,984 0.708,986 18.011,987 506.542,988 46,990 -0.662,991 -4.118,993 59.528,995 1.292,996 3.972,997 -0.276,999 49.625,1000 54.448,1001 0.339,1002 0.731,1003 0.866,1004 0.932,1005 0.932,1006 0.932,1007 5.106,1008 1.495,1009 5.984,1010 4.402,1011 4.554,1012 5.218,1013 2.67,1014 6.878,1015 4.484,1016 6.385,1017 1.237,1018 7.62,1019 3.854,1020 4.443,1021 5.407,1022 2.361,1023 8.165,1024 4.314,1025 7.76,1026 1.216,1027 9.37,1028 3.2,1029 6.282,1030 7.608,1031 4.193,1032 11.235,1033 6.118,1034 9.179,1035 1.072,1036 11.189,1037 2.988,1038 6.967,1039 8.594,1040 4.506,1041 13.359,1042 6.722,1043 10.632,1044 0.752,1045 13.054,1046 2.785,1047 8.365,1048 10.347,1049 5.955,1050 16.065,1051 8.077,1052 12.111,1053 0.319,1054 14.952,1055 1.756,1056 9.37,1057 11.654,1058 6.556,1059 18.498,1060 8.991,1061 13.608,1062 0.154,1063 16.877,1064 0.692,1065 10.636,1066 13.262,1067 7.796,1068 21.122,1069 10.198,1070 3.535,1071 -0.101,1072 18.822,1073 0.224,1074 11.772,1075 14.702,1076 8.548,1077 23.668,1078 11.242,1079 3.111,1080 13.729,1081 20.784,1082 -0.235,1083 13.004,1084 16.263,1085 9.67,1086 26.278,1087 12.401,1088 2.757,1089 10.409,1090 22.76,1091 4.803,1092 14.196,1093 17.762,1094 10.509,1095 28.867,1096 13.502,1097 2.664,1098 8.47,1099 24.747,1100 4.523,1101 15.425,1102 19.309,1103 11.563,1104 31.478,1105 14.649,1106 2.325,1107 8.344,1108 26.743,1109 3.917,1110 16.645,1111 20.834,1112 12.452,1113 34.083,1114 15.777,1115 2.015,1116 7.142,1117 28.748,1118 3.461,1119 17.879,1120 22.38,1121 13.468,1122 36.697,1123 16.924,1124 1.617,1125 6.002,1126 30.758,1127 3.233,1128 19.113,1129 23.918,1130 14.386,1131 39.31,1132 18.066,1133 10975,1134 21455,1135 19.997,1136 32.523,1137 49.129,1138 52.124,1139 52.063,1140 48.542,1141 48.536,1142 67.948,1143 7.342,1144 147.994,1145 46.954,1146 5.762,1147 6.741,1148 7.242,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 20.195,1156 1.535,1157 1.629,1158 1.627,1159 1.517,1160 1.517,1161 2.123,1162 0.229,1163 4.625,1164 1.467,1165 4.148,1166 4.18,1167 4.742,1168 4.086,1169 7.815,1170 4.031,1171 4.082,1172 4.085,1173 4.092,1174 3.971,1175 7.715,1176 3.974,1177 3.789,1178 3.791,1179 3.881,1180 3.614,1181 7.429,1182 3.57,1183 3.601,1184 3.647,1185 3.551,1186 3.42,1187 6.999,1188 3.434,1189 3.483,1190 3.529,1191 3.437,1192 3.153,1193 6.999,1194 3.203,1195 3.323,1196 3.38,1197 3.256,1198 3.105,1199 5.074,1200 3.116,1201 3.149,1202 3.212,1203 3.026,1204 2.91,1205 4.65,1206 2.901,1207 3.013,1208 3.097,1209 2.834,1210 2.789,1211 4.58,1212 2.788,1213 0.155,1214 0.148,1215 0.241,1216 0.139,1217 0.11,1218 4.96,1219 0.15,1220 4.741,1221 0.082,1222 7.698,1223 0.429,1224 4.463,1225 0.102,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.925,1238 1.895,1239 1.998,1240 2.071,1241 1.128,1242 2.048,1243 1.601,1244 1.587,1245 1.698,1246 1.858,1247 0.793,1248 1.833,1249 1.451,1250 1.437,1251 1.665,1252 1.711,1253 0.692,1254 1.696,1255 1.381,1256 1.297,1257 1.565,1258 1.698,1259 0.625,1260 1.648,1261 1.312,1262 1.259,1263 1.561,1264 1.58,1265 0.611,1266 1.588,1267 1.078,1268 1.01,1269 1.187,1270 1.328,1271 0.421,1272 1.376,1273 1.004,1274 0.927,1275 1.148,1276 1.279,1277 0.184,1278 1.267,1279 4.174,1281 5.533,1282 2.398,1283 7.084,1284 4.727,1285 8.719,1286 6.823,1287 10.399,1289 4.284,1296 2.526,1300 0.727,1305 32.05,1306 90.841,1307 195.939,1308 232.204,1309 249.814,1310 249.814,1311 249.814,1312 87.933,1313 7.424,1314 141.96,1315 150.34,1316 17,1317 12.712,1318 4.524,1319 3.907,1320 55.382,1321 128,1322 123,1323 0.214,1324 203.856,1325 352.24,1326 489.169,1327 17014,1329 22.052,1330 0.735,1331 0.571,1332 22.302,1333 17.121,1334 14.145,1335 0.442,1336 0.314,1337 8.558,1338 12.521,1339 8.167,1340 6.847,1341 14.934,1342 10.063,1343 13.421,1344 0.286,1345 0.175,1346 14.763,1347 8.233,1348 11.427,1349 0.184,1350 0.1,1351 12.813,1352 6.194,1353 8.287,1354 0.112,1355 0.053,1356 9.334,1357 3.913,1358 6.382,1359 0.071,1360 0.028,1361 7.219,1362 2.548,1363 0.338,1364 98.911,1365 0.224,1366 28.259,1367 0.583,1368 158,1369 606.097,1370 220.468,1371 596.807,1372 790.48,1373 544,1374 188,1375 555.255,1376 258.646,1377 589.694,1378 852.27,1379 548,1380 6}
{0 CHEMBL1928540,1 1.863,2 11.903,3 2.655,4 7.051,5 116.957,6 8.716,7 0.485,8 4.053,9 4.155,10 3.876,11 3.562,12 5.281,13 3.55,14 4.568,15 4.729,16 4.204,17 3.931,18 6.008,19 3.927,20 4.728,21 4.856,22 4.302,23 4.107,24 6.147,25 4.079,26 4.955,27 5.13,28 4.224,29 4.092,30 6.331,31 4.055,32 4.83,33 5.014,34 4.178,35 3.98,36 6.13,37 3.945,38 4.809,39 4.999,40 4.175,41 3.926,42 6.394,43 3.898,44 4.797,45 5.027,46 3.96,47 3.852,48 6.145,49 3.801,50 4.562,51 4.756,52 3.767,53 3.77,54 5.811,55 3.693,56 0.256,57 0.834,58 10.575,59 4.549,60 17.255,61 5.099,62 0.692,63 1.249,64 19.248,65 6.675,66 85.381,67 8.145,68 0.52,69 1.462,70 23.142,71 9.35,72 41.39,73 10.013,74 1.082,75 1.54,76 36.242,77 10.937,78 156.564,79 11.804,80 0.968,81 1.391,82 29.35,83 9.315,84 121.163,85 10.693,86 1.053,87 1.368,88 27.586,89 8.487,90 156.075,91 11.013,92 1.098,93 1.27,94 30.084,95 8.066,96 118.095,97 10.387,98 0.62,99 1.075,100 21.074,101 7.586,102 74.583,103 9.098,104 87,105 49,106 0.307,107 0.646,108 0.771,109 0.835,110 0.835,111 0.835,112 3.472,113 0.948,114 -3.3,115 -3.29,116 -3.15,119 37.3,120 1,124 3,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 5,175 9,183 6,186 2,187 19,195 4,198 2,199 13,207 1,211 7,212 14,223 9,224 5,232 2,236 8,237 3,245 2,249 2,250 7,258 3,263 8,271 4,275 1540,276 19.756,277 19.756,278 19.756,279 19.756,280 19.756,281 17.108,282 15.889,283 11.054,284 20.155,285 16.144,286 16.144,287 16.144,288 16.144,289 16.144,290 11.887,291 13.123,292 5.123,293 16.777,294 3.809,295 1.753,296 0.998,297 0.608,298 0.608,299 0.608,300 4.141,304 1,305 1,306 767,307 4.848,310 77.131,311 204.496,314 140.82,318 1.719,319 54.348,322 0.75,323 0.83,324 0.83,325 0.5,327 0.67,328 1,329 0.65,330 70,331 369,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.574,342 3.775,343 6.573,344 4.097,345 3.123,346 4.524,347 1.2,348 10.437,349 3.041,350 4.236,351 3.667,352 6.235,353 3.788,354 2.806,355 3.917,356 0.293,357 9.022,358 2.749,359 4.11,360 3.08,361 6.051,362 3.729,363 2.754,364 3.522,366 8.469,367 2.683,368 3.764,369 2.649,370 5.731,371 3.307,372 2.327,373 3.233,375 7.143,376 2.278,377 3.49,378 2.307,379 5.143,380 3.027,381 2.062,382 2.833,384 6.038,385 1.984,386 3.158,387 2.074,388 4.855,389 2.79,390 1.84,391 2.331,393 5.102,394 1.744,395 3.011,396 1.936,397 4.694,398 2.571,399 1.615,400 2.116,402 4.397,403 1.533,404 2.914,405 1.902,406 4.158,407 2.237,408 1.26,409 2.012,411 3.438,412 1.235,413 2.704,414 1.801,415 3.912,416 2.225,417 1.235,418 1.785,420 3.008,421 1.215,422 2.619,423 1.368,424 3.768,425 2.069,426 1.082,427 1.624,428 2.793,429 1.066,430 2.265,431 1.151,432 3.36,433 1.84,434 0.849,435 1.142,436 1.958,437 0.833,438 2.105,439 1,440 3.197,441 1.59,442 0.596,443 0.831,445 1.379,446 0.585,447 1.838,448 0.916,449 3.069,450 1.217,451 0.259,452 0.385,454 0.61,455 0.247,456 1.251,457 0.582,458 2.763,459 0.88,460 -0.101,461 -0.129,463 -0.235,464 -0.099,465 14.4,466 0.465,467 1.154,468 0.037,469 43,470 1.387,471 23,472 0.742,473 20,474 0.645,475 23.84,476 0.769,477 34.2,478 0.671,479 39.299,480 1.268,481 8.707,482 0.281,483 5.81,484 0.187,485 0.255,486 0.058,487 0.354,493 0.394,494 1.399,495 0.741,496 1.298,497 0.57,498 1.005,499 0.637,500 0.984,501 0.668,502 0.722,503 0.493,504 0.648,505 0.873,506 1.374,507 1.185,508 1.389,509 0.718,510 1.152,511 1.451,512 1.094,513 1.325,514 1.157,515 1.472,516 1.062,517 1.105,518 0.991,519 1.017,520 1.029,521 1.254,522 1.03,523 0.671,524 1.172,525 0.86,526 1.092,527 0.615,528 1.068,529 1.032,530 0.672,531 0.96,532 0.667,533 0.968,534 0.819,535 0.981,536 1.014,537 1.061,538 1.045,539 0.983,540 1.151,541 8.5,542 0.235,543 5.778,544 2.917,545 1.964,546 1.614,547 0.976,548 0.554,549 0.344,550 0.335,551 12032,552 43389,553 1.931,554 39.2,555 3,556 14,557 1,558 2,564 1.737,565 1.73,566 3.549,567 -0.607,569 1,573 95.025,574 1.863,575 3.92,576 4.675,577 5.064,578 5.064,579 5.064,580 2.918,581 4.696,582 4.929,583 3.722,584 1730.83,585 8.607,586 24772,588 1,590 1,591 289.294,592 1.735,593 4.828,594 0.258,595 0.008,596 0.118,597 0.055,598 0.042,599 0.038,600 0.023,601 0.015,602 0.011,603 0.011,604 0.578,605 0.33,606 0.88,607 1.093,608 161.401,609 0.222,610 -0.127,611 0.207,612 -0.124,613 -0.074,614 -0.05,615 0.17,616 0.153,617 0.238,618 0.276,619 0.211,620 0.29,621 -0.078,622 -0.205,623 -0.153,624 -0.223,625 0.049,626 -0.184,627 -0.305,628 -0.116,629 -0.218,630 -0.086,631 -0.237,632 -0.091,633 -0.067,634 0.005,635 -0.022,636 -0.043,637 -0.204,638 -0.071,639 0.296,640 -0.179,641 0.094,642 -0.146,643 0.325,644 -0.106,645 -0.013,646 0.277,647 0.011,648 0.211,649 -0.008,650 0.138,651 -0.121,652 -0.033,653 -0.141,654 -0.063,655 -0.129,656 -0.146,657 5.039,658 5.888,659 0.484,660 29.303,661 1.03,662 1.135,663 2.069,664 4.28,665 0.672,666 3.526,667 3.912,668 4.174,669 4.344,670 4.533,671 4.644,672 4.7,673 4.727,674 4.663,675 4.7,676 7.161,677 0.658,678 444.52,679 3.526,680 5.106,681 5.969,682 6.864,683 7.748,684 8.646,685 9.536,686 10.435,687 11.327,688 12.228,689 11.8,692 1,696 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,719 1,725 1,731 51,733 22,734 1,735 33,737 53,738 19,739 13,740 3,741 3,742 2,746 3,747 4,752 1,761 15,762 4,766 6,768 1,769 1,771 5,773 1,774 1,775 1,778 1,781 20,782 9,784 12,785 1,790 6,794 0.667,795 5,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 4,848 31,852 1,859 2,870 9.8,873 3,876 2,877 17.917,878 10.617,879 6.667,880 2.679,881 3.907,882 1.521,883 0.957,884 6.227,885 11.41,886 3.871,887 4.551,888 5.129,889 5.673,890 6.195,891 6.614,892 6.958,893 7.26,894 7.359,895 7.663,896 0.875,897 53,898 11.807,900 5.437,901 8.261,902 20.825,904 16.718,905 2.761,906 85.583,909 1,910 235.422,911 135.058,912 44.68,914 120.205,916 5.807,917 129.251,918 355.627,919 44.68,920 39.684,921 3.124,922 62.236,923 123.415,924 42.135,925 13.915,926 200.109,927 50.747,928 235.422,929 173.931,930 120.205,931 5.807,933 235.422,934 69.458,935 50.747,937 40.22,938 102.331,939 37.188,941 235.422,942 164.885,943 135.058,945 5.807,946 235.422,947 20.713,948 119.892,950 153.531,951 235.422,952 164.885,953 135.058,955 0.607,956 0.36,957 0.165,958 0.087,959 23,960 13,961 0.113,962 6,963 1,964 1.133,965 3.983,966 276.931,967 0.133,968 15,969 147.58,973 1,974 22.566,975 8.555,976 4.491,977 0.564,978 158.051,979 9.991,980 4.165,984 0.755,987 535.365,988 47,990 -0.659,991 -4.122,993 60.017,995 1.302,996 3.992,997 -0.188,999 52.509,1000 57.863,1001 0.328,1002 0.691,1003 0.824,1004 0.893,1005 0.893,1006 0.893,1007 5.136,1008 1.615,1009 6.028,1010 5.102,1011 4.595,1012 5.239,1013 2.713,1014 6.925,1015 4.52,1016 6.417,1017 1.26,1018 7.668,1019 4.397,1020 4.511,1021 5.434,1022 2.396,1023 8.205,1024 4.371,1025 7.791,1026 1.235,1027 9.42,1028 3.438,1029 6.326,1030 7.622,1031 4.208,1032 11.276,1033 6.155,1034 9.208,1035 1.082,1036 11.239,1037 3.008,1038 7.022,1039 8.609,1040 4.517,1041 13.388,1042 6.77,1043 10.66,1044 0.849,1045 13.103,1046 2.793,1047 8.41,1048 10.357,1049 5.96,1050 16.094,1051 8.117,1052 12.137,1053 0.596,1054 14.999,1055 1.958,1056 9.417,1057 11.663,1058 6.558,1059 18.518,1060 9.037,1061 13.633,1062 0.259,1063 16.921,1064 1.379,1065 10.677,1066 13.269,1067 7.797,1068 21.139,1069 10.24,1070 3.535,1071 -0.101,1072 18.863,1073 0.61,1074 11.812,1075 14.709,1076 8.549,1077 23.68,1078 11.287,1079 3.123,1080 13.729,1081 20.821,1082 -0.235,1083 13.04,1084 16.268,1085 9.67,1086 26.288,1087 12.444,1088 2.806,1089 10.437,1090 22.793,1091 4.803,1092 14.23,1093 17.766,1094 10.509,1095 28.874,1096 13.545,1097 2.754,1098 9.022,1099 24.777,1100 4.524,1101 15.455,1102 19.313,1103 11.563,1104 31.483,1105 14.691,1106 2.327,1107 8.469,1108 26.77,1109 3.917,1110 16.672,1111 20.837,1112 12.452,1113 34.087,1114 15.818,1115 2.062,1116 7.143,1117 28.771,1118 3.522,1119 17.903,1120 22.383,1121 13.468,1122 36.7,1123 16.965,1124 1.84,1125 6.038,1126 30.779,1127 3.233,1128 19.134,1129 23.92,1130 14.386,1131 39.311,1132 18.106,1133 11986,1134 22987,1135 20.403,1136 34.284,1137 51.615,1138 54.177,1139 53.738,1140 50.747,1141 50.685,1142 70.117,1143 8.211,1144 155.049,1145 48.897,1146 5.762,1147 6.741,1148 7.072,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 21.98,1156 1.564,1157 1.642,1158 1.628,1159 1.538,1160 1.536,1161 2.125,1162 0.249,1163 4.698,1164 1.482,1165 4.149,1166 4.182,1167 4.742,1168 4.086,1169 7.815,1170 4.032,1171 4.082,1172 4.085,1173 4.093,1174 3.973,1175 7.715,1176 3.975,1177 3.79,1178 3.793,1179 3.881,1180 3.614,1181 7.428,1182 3.571,1183 3.653,1184 3.71,1185 3.592,1186 3.449,1187 6.999,1188 3.466,1189 3.488,1190 3.535,1191 3.438,1192 3.208,1193 6.999,1194 3.223,1195 3.367,1196 3.413,1197 3.295,1198 3.149,1199 5.074,1200 3.182,1201 3.163,1202 3.218,1203 3.074,1204 2.92,1205 4.65,1206 2.919,1207 3.021,1208 3.102,1209 2.857,1210 2.804,1211 4.579,1212 2.805,1213 0.15,1214 0.144,1215 0.233,1216 0.135,1217 0.107,1218 4.96,1219 0.146,1220 4.741,1221 0.079,1222 7.698,1223 0.416,1224 4.463,1225 0.099,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.927,1238 1.897,1239 2.001,1240 2.073,1241 1.133,1242 2.051,1243 1.603,1244 1.588,1245 1.769,1246 1.859,1247 0.836,1248 1.835,1249 1.498,1250 1.454,1251 1.682,1252 1.787,1253 0.787,1254 1.779,1255 1.439,1256 1.386,1257 1.565,1258 1.699,1259 0.632,1260 1.648,1261 1.312,1262 1.259,1263 1.561,1264 1.581,1265 0.612,1266 1.588,1267 1.079,1268 1.013,1269 1.417,1270 1.329,1271 0.469,1272 1.377,1273 1.014,1274 0.948,1275 1.172,1276 1.285,1277 0.421,1278 1.308,1279 4.205,1281 5.572,1282 2.398,1283 7.125,1284 4.727,1285 8.76,1286 6.823,1287 10.44,1289 6.057,1300 2.176,1305 33.577,1306 95.025,1307 199.91,1308 238.4,1309 258.274,1310 258.274,1311 258.274,1312 93.716,1313 7.503,1314 133.17,1315 141.55,1316 17,1317 12.751,1318 4.524,1319 3.907,1320 58.303,1321 136,1322 117,1323 0.213,1324 213.449,1325 369.54,1326 512.575,1327 18804,1329 22.922,1330 0.739,1331 0.583,1332 23.172,1333 18.068,1334 14.518,1335 0.44,1336 0.316,1337 8.914,1338 12.867,1339 8.45,1340 7.113,1341 15.306,1342 10.431,1343 14.138,1344 0.289,1345 0.181,1346 15.481,1347 8.854,1348 11.773,1349 0.184,1350 0.099,1351 13.159,1352 6.358,1353 8.459,1354 0.111,1355 0.053,1356 9.505,1357 4.019,1358 6.485,1359 0.07,1360 0.028,1361 7.321,1362 2.604,1363 0.336,1364 101.334,1365 0.221,1366 29.047,1367 0.577,1368 164,1369 617.409,1370 226.828,1371 608.262,1372 805.22,1373 554,1374 195,1375 565.959,1376 266.811,1377 603.369,1378 870.41,1379 558,1380 6}
{0 CHEMBL1928541,1 1.909,2 11.036,3 3.12,4 9.736,5 104.321,6 9.487,7 0.533,8 3.877,9 3.965,10 3.786,11 3.441,12 5.181,13 3.434,14 4.364,15 4.492,16 4.101,17 3.805,18 5.892,19 3.804,20 4.548,21 4.675,22 4.182,23 3.959,24 6,25 3.933,26 4.715,27 4.872,28 4.097,29 3.911,30 6.156,31 3.882,32 4.625,33 4.811,34 4.041,35 3.75,36 6.003,37 3.738,38 4.503,39 4.657,40 4.011,41 3.669,42 6.27,43 3.671,44 4.535,45 4.754,46 3.767,47 3.6,48 5.984,49 3.559,50 4.253,51 4.424,52 3.622,53 3.536,54 5.592,55 3.487,56 0.232,57 0.71,58 7.127,59 3.697,60 23.709,61 3.548,62 0.559,63 1.062,64 12.205,65 5.589,66 88.514,67 5.796,68 0.505,69 1.265,70 17.544,71 7.631,72 55.01,73 7.035,74 0.847,75 1.323,76 25.574,77 8.919,78 138.732,79 7.976,80 0.908,81 1.167,82 23.901,83 7.677,84 146.187,85 7.464,86 0.886,87 1.081,88 16.798,89 6.018,90 148.891,91 6.239,92 0.912,93 1.011,94 22.594,95 6.763,96 123.095,97 7.504,98 0.521,99 0.8,100 15.157,101 6.031,102 86.58,103 6.189,104 54,105 44,106 0.325,107 0.694,108 0.815,109 0.862,110 0.862,111 0.862,112 3.375,113 0.933,114 -3.15,115 -3.14,116 -3.02,119 40.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 8,183 6,186 2,187 17,195 4,198 2,199 13,207 1,211 6,212 13,223 8,224 5,232 2,236 7,237 3,245 2,249 1,250 7,258 3,263 8,271 4,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.539,282 14.24,283 10.272,284 18.533,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.375,291 10.804,292 4.709,293 15.203,294 3.483,295 1.312,296 0.598,297 0.322,298 0.322,299 0.322,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 49.078,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 63,331 309,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.235,351 3.775,352 6.051,353 3.731,354 2.756,355 3.917,357 8.469,358 2.685,359 3.894,360 3.097,361 5.731,362 3.357,363 2.368,364 3.279,366 7.146,367 2.341,368 3.762,369 2.652,370 5.292,371 3.297,372 2.312,373 3.228,375 6.727,376 2.273,377 3.466,378 2.384,379 5.096,380 2.934,381 1.973,382 2.789,384 5.921,385 1.891,386 3.024,387 2.208,388 4.694,389 2.571,390 1.615,391 2.121,393 4.399,394 1.534,395 3.011,396 1.911,397 4.156,398 2.239,399 1.266,400 2.013,402 3.456,403 1.235,404 2.914,405 1.883,406 3.912,407 2.23,408 1.235,409 1.832,411 3.009,412 1.221,413 2.693,414 1.372,415 3.768,416 2.069,417 1.083,418 1.646,420 2.793,421 1.066,422 2.611,423 1.173,424 3.32,425 1.791,426 0.829,427 1.249,428 1.874,429 0.796,430 2.197,431 1,432 3.111,433 1.417,434 0.481,435 0.834,436 0.89,437 0.449,438 1.854,439 0.929,440 2.802,441 1.167,442 0.225,443 0.359,445 0.43,446 0.211,447 1.251,448 0.633,449 2.744,450 0.88,451 -0.101,452 -0.13,454 -0.235,455 -0.099,456 1,457 0.41,458 2.35,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 13.067,466 0.467,467 0.938,468 0.033,469 42.25,470 1.509,471 24.5,472 0.875,473 17.75,474 0.634,475 18.823,476 0.672,477 29.533,478 0.703,479 35.095,480 1.253,481 8.319,482 0.297,483 4.916,484 0.176,485 0.209,486 0.064,487 0.321,493 0.339,494 1.188,495 0.723,496 1.21,497 0.558,498 0.907,499 0.593,500 1.08,501 0.685,502 0.828,503 0.475,504 0.74,505 0.88,506 1.257,507 1.265,508 1.315,509 0.672,510 1.095,511 1.4,512 1.181,513 1.46,514 1.316,515 1.352,516 1.201,517 1.273,518 0.867,519 1.037,520 0.915,521 1.364,522 0.902,523 0.811,524 1.155,525 0.999,526 1.123,527 0.732,528 1.127,529 1.097,530 0.625,531 1.007,532 0.688,533 1.098,534 0.847,535 1.15,536 0.819,537 1.005,538 0.902,539 1.137,540 0.947,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 35767,553 1.964,554 33.3,555 3,556 8,557 1,558 2,564 1.711,565 1.778,566 3.432,567 -0.601,568 1,569 1,573 80.178,574 1.909,575 4.08,576 4.794,577 5.071,578 5.071,579 5.071,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 226.477,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 0.88,607 0.944,608 140.493,609 0.273,610 -0.002,611 0.214,612 -0.092,613 -0.052,614 -0.028,615 0.2,616 0.002,617 0.187,618 0.161,619 0.218,620 0.167,621 -0.098,622 -0.152,623 -0.2,624 -0.184,625 0.041,626 -0.162,627 -0.312,628 -0.2,629 -0.318,630 -0.22,631 -0.237,632 -0.224,633 -0.133,634 0.075,635 0.054,636 0.083,637 -0.244,638 0.093,639 0.282,640 -0.154,641 -0.028,642 -0.177,643 0.331,644 -0.214,645 0.001,646 0.28,647 0.049,648 0.245,649 -0.045,650 0.192,651 -0.167,652 0.073,653 -0.001,654 0.132,655 -0.144,656 0.115,657 5.01,658 5.777,659 0.536,660 23.745,661 1.036,662 1.129,663 1.916,664 3.673,665 0.703,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.697,678 398.44,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 14.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 42,733 22,734 1,735 30,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 28,852 1,859 1,861 1,866 1,868 1,870 9.5,873 2,876 2,877 15.75,878 8.45,879 6.111,880 2.237,881 4.003,882 1.552,883 0.97,884 5.151,885 11.251,886 3.829,887 4.497,888 5.093,889 5.652,890 6.177,891 6.586,892 6.902,893 7.183,894 7.28,895 7.562,896 1,897 47,898 10.631,900 4.944,901 8.336,902 18.592,904 15.025,905 2.836,906 79.417,909 1,910 164.795,911 130.163,912 72.615,914 95.06,916 5.807,917 124.355,918 259.855,919 72.615,920 22.892,922 62.236,923 110.167,924 73.194,925 13.915,926 129.482,927 50.747,928 164.795,929 196.971,930 95.06,931 5.807,933 164.795,934 44.313,935 50.747,937 68.155,938 97.435,939 37.188,941 164.795,942 167.675,943 130.163,945 5.807,946 164.795,947 16.008,948 99.975,949 16.602,950 159.445,951 164.795,952 167.675,953 130.163,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.114,962 5,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 130.606,973 1,974 19.5,975 7.397,976 3.752,977 0.583,978 160.841,979 9.916,980 4.111,984 0.772,987 462.633,988 45,990 -0.659,991 -4.094,993 47.463,995 1.299,996 3.95,999 43.531,1000 47.408,1001 0.354,1002 0.757,1003 0.889,1004 0.94,1005 0.94,1006 0.94,1007 5.088,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.185,1013 3.019,1014 6.81,1015 4.412,1016 6.373,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.223,1025 7.747,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.585,1031 4.585,1032 11.178,1033 6.036,1034 9.163,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.56,1040 4.506,1041 13.319,1042 6.625,1043 10.614,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.328,1049 6.263,1050 16.031,1051 7.986,1052 12.09,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.631,1058 6.556,1059 18.475,1060 8.895,1061 13.587,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.246,1067 8.011,1068 21.105,1069 10.106,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.687,1076 8.548,1077 23.657,1078 11.15,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.251,1085 9.813,1086 26.27,1087 12.314,1088 2.756,1089 10.36,1090 22.722,1091 4.803,1092 14.159,1093 17.751,1094 10.509,1095 28.861,1096 13.417,1097 2.368,1098 8.469,1099 24.714,1100 4.519,1101 15.392,1102 19.3,1103 11.655,1104 31.474,1105 14.569,1106 2.312,1107 7.146,1108 26.716,1109 3.917,1110 16.616,1111 20.826,1112 12.452,1113 34.08,1114 15.7,1115 1.973,1116 6.727,1117 28.725,1118 3.279,1119 17.854,1120 22.372,1121 13.525,1122 36.695,1123 16.852,1124 1.615,1125 5.921,1126 30.739,1127 3.228,1128 19.091,1129 23.911,1130 14.386,1131 39.308,1132 17.998,1133 9087,1134 18105,1135 18.898,1136 29.546,1137 47.367,1138 50.489,1139 48.352,1140 45.515,1141 45.538,1142 65.178,1143 9.294,1144 138.406,1145 43.891,1146 5.762,1147 6.741,1148 7.247,1149 5.525,1150 5.535,1151 7.803,1152 4.647,1153 21.878,1154 5.254,1155 17.851,1156 1.579,1157 1.683,1158 1.612,1159 1.517,1160 1.518,1161 2.173,1162 0.31,1163 4.614,1164 1.463,1165 4.145,1166 4.177,1167 4.742,1168 4.086,1169 7.815,1170 4.029,1171 4.08,1172 4.084,1173 4.088,1174 3.97,1175 7.715,1176 3.973,1177 3.789,1178 3.789,1179 3.881,1180 3.614,1181 6.999,1182 3.568,1183 3.522,1184 3.561,1185 3.481,1186 3.394,1187 6.999,1188 3.399,1189 3.46,1190 3.497,1191 3.432,1192 3.151,1193 6.82,1194 3.199,1195 3.208,1196 3.254,1197 3.189,1198 2.969,1199 5.071,1200 2.991,1201 3.061,1202 3.143,1203 2.918,1204 2.861,1205 4.65,1206 2.849,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.578,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.107,1242 2.038,1243 1.599,1244 1.586,1245 1.686,1246 1.857,1247 0.79,1248 1.832,1249 1.447,1250 1.431,1251 1.565,1252 1.699,1253 0.631,1254 1.648,1255 1.312,1256 1.259,1257 1.562,1258 1.583,1259 0.612,1260 1.588,1261 1.148,1262 1.087,1263 1.211,1264 1.386,1265 0.421,1266 1.378,1267 1.072,1268 1.003,1269 1.149,1270 1.323,1271 0.133,1272 1.337,1273 0.907,1274 0.84,1275 1.076,1276 1.25,1277 0.085,1278 1.259,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 2.777,1300 0.733,1303 9.015,1304 2.02,1305 29.282,1306 80.178,1307 171.358,1308 201.358,1309 212.968,1310 212.968,1311 212.968,1312 75.76,1313 7.248,1314 136.65,1315 145.03,1316 17,1317 12.643,1318 4.524,1319 4,1320 49.743,1321 111,1322 109,1323 0.22,1324 187.34,1325 323.51,1326 448.87,1327 13573,1329 20.474,1330 0.731,1331 0.559,1332 20.724,1333 15.66,1334 13.234,1335 0.441,1336 0.311,1337 7.859,1338 11.717,1339 7.512,1340 6.28,1341 14.023,1342 9.333,1343 12.549,1344 0.285,1345 0.177,1346 13.892,1347 7.766,1348 10.623,1349 0.183,1350 0.101,1351 12.009,1352 5.834,1353 7.865,1354 0.112,1355 0.053,1356 8.911,1357 3.697,1358 6.123,1359 0.072,1360 0.028,1361 6.96,1362 2.421,1363 0.345,1364 92.666,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 567.673,1370 207.559,1371 567.588,1372 751.32,1373 516,1374 176,1375 527.618,1376 243.987,1377 564.375,1378 811.07,1379 524,1380 9.046}
{0 CHEMBL1928542,1 2.033,2 11.138,3 3.326,4 11.06,5 104.537,6 9.915,7 0.516,8 3.887,9 3.972,10 3.819,11 3.439,12 5.237,13 3.447,14 4.377,15 4.5,16 4.15,17 3.802,18 5.954,19 3.821,20 4.57,21 4.689,22 4.254,23 3.955,24 6.114,25 3.955,26 4.735,27 4.884,28 4.179,29 3.908,30 6.313,31 3.904,32 4.635,33 4.817,34 4.092,35 3.747,36 6.062,37 3.756,38 4.514,39 4.664,40 4.04,41 3.667,42 6.307,43 3.683,44 4.547,45 4.762,46 3.809,47 3.599,48 6.051,49 3.57,50 4.261,51 4.429,52 3.668,53 3.535,54 5.639,55 3.496,56 0.268,57 0.775,58 6.084,59 3.725,60 36.318,61 3.289,62 0.649,63 1.17,64 11.077,65 5.631,66 107.453,67 5.395,68 0.695,69 1.438,70 16.12,71 7.697,72 86.49,73 6.379,74 1.101,75 1.461,76 24.369,77 8.949,78 197.426,79 7.432,80 1.045,81 1.214,82 23.099,83 7.691,84 181.358,85 7.112,86 0.987,87 1.117,88 15.485,89 6.044,90 169.897,91 5.8,92 1.064,93 1.036,94 22.255,95 6.764,96 152.596,97 7.243,98 0.66,99 0.846,100 14.693,101 6.031,102 110.154,103 6.069,104 69,105 46,106 0.346,107 0.726,108 0.83,109 0.862,110 0.862,111 0.862,112 3.408,113 0.913,114 -3.27,115 -3.25,116 -3.12,119 40.5,120 1,124 1,142 4,143 3,144 3,145 1,151 1,152 1,155 1,158 1,166 4,172 4,174 4,175 7,183 5,186 2,187 15,195 4,198 2,199 13,211 6,212 13,223 8,224 4,232 2,236 7,237 2,245 2,249 1,250 7,258 3,263 6,271 4,275 1287,276 18.712,277 18.712,278 18.712,279 18.712,280 18.712,281 15.987,282 14.734,283 10.464,284 19.077,285 15.124,286 15.124,287 15.124,288 15.124,289 15.124,290 10.772,291 10.837,292 4.781,293 15.784,294 3.36,295 1.123,296 0.512,297 0.322,298 0.322,299 0.322,300 4.078,304 1,305 1,306 676,307 4.359,310 70.255,311 188.726,314 129.264,318 1.6,319 59.752,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 66.5,331 323,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.601,342 4.077,343 6.584,344 4.102,345 3.137,346 4.559,347 2.035,348 10.499,349 3.023,350 4.236,351 3.775,352 6.051,353 3.731,354 2.757,355 3.917,357 8.471,358 2.686,359 4.054,360 3.199,361 5.937,362 3.572,363 2.608,364 3.556,366 8.229,367 2.508,368 3.763,369 2.856,370 5.731,371 3.304,372 2.323,373 3.232,375 7.141,376 2.276,377 3.497,378 2.638,379 5.131,380 2.936,381 1.974,382 2.796,384 6.003,385 1.893,386 3.203,387 2.251,388 4.7,389 2.616,390 1.664,391 2.251,393 4.528,394 1.571,395 3.017,396 1.934,397 4.416,398 2.393,399 1.442,400 2.016,402 4.047,403 1.359,404 2.915,405 1.904,406 3.919,407 2.234,408 1.235,409 1.885,411 3.015,412 1.233,413 2.791,414 1.777,415 3.771,416 2.069,417 1.094,418 1.671,420 2.794,421 1.066,422 2.628,423 1.237,424 3.755,425 2.02,426 1.064,427 1.597,428 2.579,429 1.009,430 2.276,431 1.14,432 3.205,433 1.477,434 0.549,435 0.85,436 1.173,437 0.507,438 1.924,439 1,440 2.87,441 1.181,442 0.243,443 0.409,445 0.435,446 0.227,447 1.251,448 0.89,449 2.75,450 0.88,451 -0.101,452 -0.128,454 -0.233,455 -0.098,456 1.103,457 0.42,458 2.621,459 0.554,460 -0.326,461 -0.438,463 -0.699,464 -0.28,465 13.352,466 0.46,467 1.027,468 0.035,469 43,470 1.483,471 24.5,472 0.845,473 18.5,474 0.638,475 20.139,476 0.694,477 31.048,478 0.739,479 37.135,480 1.281,481 8.537,482 0.294,483 5.108,484 0.176,485 0.226,486 0.062,487 0.352,491 1,493 0.394,494 1.086,495 0.702,496 1.206,497 0.563,498 0.901,499 0.622,500 1.036,501 0.66,502 0.831,503 0.515,504 0.717,505 0.916,506 1.196,507 1.262,508 1.312,509 0.76,510 1.093,511 1.246,512 1.052,513 1.448,514 1.309,515 1.204,516 1.22,517 1.119,518 0.827,519 1.015,520 0.914,521 1.205,522 0.899,523 0.796,524 1.026,525 1.027,526 1.117,527 0.724,528 1.16,529 0.958,530 0.543,531 1.024,532 0.682,533 0.991,534 0.88,535 0.918,536 0.664,537 0.976,538 0.896,539 0.986,540 0.972,541 8,542 0.178,543 5.333,544 2.854,545 2.116,546 1.514,547 0.747,548 0.465,549 0.344,550 0.306,551 10026,552 42900,553 1.946,554 31,555 3,556 7,557 1,558 2,564 1.719,565 1.749,566 3.455,567 -0.58,568 1,569 1,573 85.375,574 2.033,575 4.269,576 4.88,577 5.071,578 5.071,579 5.071,580 2.872,581 4.625,582 4.833,583 3.627,584 1472.53,585 8.415,586 19934.3,588 1,590 1,591 226.477,592 1.739,593 4.736,594 0.258,595 0.007,596 0.116,597 0.057,598 0.048,599 0.039,600 0.02,601 0.016,602 0.012,603 0.011,604 0.583,605 0.33,606 0.88,607 0.946,608 147.29,609 0.193,610 -0.017,611 0.194,612 -0.091,613 -0.046,614 -0.029,615 0.126,616 -0.047,617 0.193,618 0.156,619 0.169,620 0.192,621 -0.1,622 -0.105,623 -0.223,624 -0.181,625 0.004,626 -0.174,627 -0.227,628 -0.108,629 -0.315,630 -0.216,631 -0.154,632 -0.235,633 -0.135,634 -0.007,635 0.081,636 0.077,637 -0.214,638 0.129,639 0.157,640 -0.138,641 -0.064,642 -0.175,643 0.227,644 -0.231,645 0.012,646 0.247,647 0.052,648 0.244,649 -0.042,650 0.198,651 -0.059,652 0.115,653 0.037,654 0.131,655 -0.11,656 0.127,657 5.077,658 5.772,659 0.517,660 25.246,661 1.049,662 1.137,663 2.036,664 4.145,665 0.702,666 3.466,667 3.85,668 4.127,669 4.317,670 4.511,671 4.605,672 4.595,673 4.605,674 4.543,675 4.564,676 6.743,677 0.706,678 416.43,679 3.466,680 5.043,681 5.911,682 6.81,683 7.698,684 8.6,685 9.493,686 10.396,687 11.291,688 12.194,689 14.3,692 1,697 1,698 2,699 1,700 1,703 1,704 6,705 1,709 6,711 16,713 1,725 1,730 1,731 42,733 22,734 1,735 31,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,779 1,781 13,782 9,784 12,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,846 1,848 29,852 1,859 1,861 1,866 1,868 1,869 1,870 9.5,873 2,876 2,877 16.583,878 8.51,879 6.306,880 2.224,881 3.995,882 1.544,883 0.971,884 5.345,885 11.338,886 3.85,887 4.53,888 5.129,889 5.702,890 6.228,891 6.66,892 6.981,893 7.263,894 7.362,895 7.657,896 1,897 50,898 11.069,900 5.247,901 8.503,902 19.013,904 15.399,905 3.003,906 87.083,909 1,910 153.024,911 129.807,912 72.615,914 95.06,915 14.96,916 5.807,917 124,918 248.084,919 87.576,920 22.892,922 52.76,923 110.167,924 82.315,925 28.875,926 117.711,927 50.747,928 153.024,929 196.615,930 110.02,931 5.807,933 167.984,934 44.313,935 50.747,937 68.155,938 97.08,939 37.188,941 167.984,942 167.675,943 129.807,945 5.807,946 153.024,947 25.129,948 90.499,949 16.602,950 174.405,951 153.024,952 182.635,953 129.807,955 0.603,956 0.365,957 0.176,958 0.093,959 22,960 12,961 0.114,962 5,963 1,964 1.133,965 3.834,966 253.913,967 0.133,968 15,969 136.881,973 1,974 20.411,975 7.595,976 3.814,977 0.351,978 175.801,979 7.141,980 3.931,984 -0.879,987 465.467,988 46,990 -0.688,991 -4.16,993 47.448,995 1.186,996 3.879,999 44.044,1000 47.748,1001 0.377,1002 0.792,1003 0.905,1004 0.94,1005 0.94,1006 0.94,1007 5.118,1008 1.442,1009 5.969,1010 4.528,1011 4.533,1012 5.218,1013 3.019,1014 6.872,1015 4.445,1016 6.41,1017 1.235,1018 7.61,1019 4.047,1020 4.443,1021 5.414,1022 2.361,1023 8.165,1024 4.283,1025 7.789,1026 1.094,1027 9.365,1028 3.015,1029 6.271,1030 7.626,1031 4.585,1032 11.239,1033 6.077,1034 9.209,1035 1.064,1036 11.186,1037 2.794,1038 6.967,1039 8.614,1040 4.506,1041 13.361,1042 6.682,1043 10.662,1044 0.549,1045 13.053,1046 2.579,1047 8.362,1048 10.372,1049 6.263,1050 16.071,1051 8.034,1052 12.14,1053 0.243,1054 14.953,1055 1.173,1056 9.374,1057 11.681,1058 6.556,1059 18.502,1060 8.95,1061 13.637,1062 -0.101,1063 16.878,1064 0.435,1065 10.639,1066 13.291,1067 8.011,1068 21.128,1069 10.157,1070 3.535,1071 -0.326,1072 18.824,1073 -0.233,1074 11.78,1075 14.733,1076 8.548,1077 23.673,1078 11.204,1079 3.137,1080 13.729,1081 20.786,1082 -0.699,1083 13.012,1084 16.296,1085 9.813,1086 26.283,1087 12.365,1088 2.757,1089 10.499,1090 22.762,1091 4.803,1092 14.207,1093 17.795,1094 10.509,1095 28.871,1096 13.468,1097 2.608,1098 8.471,1099 24.75,1100 4.559,1101 15.437,1102 19.344,1103 11.655,1104 31.481,1105 14.618,1106 2.323,1107 8.229,1108 26.746,1109 3.917,1110 16.658,1111 20.87,1112 12.452,1113 34.086,1114 15.749,1115 1.974,1116 7.141,1117 28.751,1118 3.556,1119 17.892,1120 22.416,1121 13.525,1122 36.699,1123 16.899,1124 1.664,1125 6.003,1126 30.761,1127 3.232,1128 19.126,1129 23.955,1130 14.386,1131 39.312,1132 18.044,1133 9949,1134 20754,1135 19.304,1136 29.483,1137 49.151,1138 52.761,1139 50.573,1140 47.285,1141 47.249,1142 67.087,1143 9.294,1144 145.286,1145 45.225,1146 5.762,1147 6.741,1148 7.22,1149 5.525,1150 5.535,1151 7.803,1152 4.647,1153 21.878,1154 5.254,1155 19.658,1156 1.586,1157 1.702,1158 1.631,1159 1.525,1160 1.524,1161 2.164,1162 0.3,1163 4.687,1164 1.459,1165 4.148,1166 4.18,1167 4.742,1168 4.085,1169 8.201,1170 4.03,1171 4.083,1172 4.085,1173 4.1,1174 3.969,1175 7.815,1176 3.975,1177 3.789,1178 3.79,1179 3.881,1180 3.613,1181 7.715,1182 3.569,1183 3.531,1184 3.567,1185 3.51,1186 3.393,1187 6.999,1188 3.405,1189 3.464,1190 3.501,1191 3.434,1192 3.151,1193 6.999,1194 3.199,1195 3.208,1196 3.254,1197 3.189,1198 2.969,1199 6.819,1200 2.992,1201 3.069,1202 3.147,1203 2.969,1204 2.86,1205 5.046,1206 2.854,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.649,1212 2.719,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.96,1219 0.155,1220 4.741,1221 0.084,1222 7.698,1223 0.443,1224 4.463,1225 0.105,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.914,1238 1.884,1239 1.963,1240 2.061,1241 1.097,1242 2.03,1243 1.597,1244 1.585,1245 1.68,1246 1.857,1247 0.788,1248 1.831,1249 1.444,1250 1.429,1251 1.565,1252 1.699,1253 0.614,1254 1.647,1255 1.312,1256 1.259,1257 1.555,1258 1.583,1259 0.609,1260 1.588,1261 1.147,1262 1.087,1263 1.21,1264 1.386,1265 0.421,1266 1.378,1267 1.071,1268 1.002,1269 1.149,1270 1.323,1271 0.131,1272 1.334,1273 0.907,1274 0.84,1275 1.076,1276 1.25,1277 0.085,1278 1.259,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.823,1287 10.401,1289 2.688,1291 13.662,1300 0.664,1303 8.956,1304 1.714,1305 29.665,1306 85.375,1307 179.316,1308 204.968,1309 212.968,1310 212.968,1311 212.968,1312 93.002,1313 7.342,1314 136.65,1315 145.03,1316 17,1317 12.715,1318 4.524,1319 4,1320 52.55,1321 119,1322 105,1323 0.218,1324 188.539,1325 329.58,1326 451.794,1327 15134,1328 2.4,1329 21.345,1330 0.736,1331 0.55,1332 20.724,1333 15.96,1334 13.645,1335 0.44,1336 0.304,1337 7.939,1338 12.021,1339 7.613,1340 6.34,1341 14.023,1342 9.438,1343 13.079,1344 0.284,1345 0.171,1346 13.892,1347 7.886,1348 11.073,1349 0.182,1350 0.097,1351 12.009,1352 5.912,1353 8.297,1354 0.112,1355 0.05,1356 8.911,1357 3.734,1358 6.318,1359 0.07,1360 0.027,1361 6.96,1362 2.434,1363 0.343,1364 95.996,1365 0.228,1366 27.413,1367 0.596,1368 154,1369 661.784,1370 217.39,1371 629.707,1372 823.33,1373 572,1374 184,1375 571.952,1376 255.742,1377 602.119,1378 868.56,1379 559,1380 7.347}
{0 CHEMBL1928543,1 1.888,2 11.036,3 3.225,4 10.4,5 105.046,6 8.966,7 0.533,8 3.943,9 4.034,10 3.803,11 3.455,12 5.179,13 3.449,14 4.448,15 4.587,16 4.115,17 3.81,18 5.922,19 3.814,20 4.587,21 4.711,22 4.192,23 3.966,24 5.987,25 3.944,26 4.768,27 4.922,28 4.112,29 3.955,30 6.143,31 3.915,32 4.732,33 4.931,34 4.062,35 3.807,36 6.016,37 3.777,38 4.6,39 4.769,40 4.02,41 3.731,42 6.253,43 3.718,44 4.626,45 4.846,46 3.789,47 3.684,48 5.992,49 3.622,50 4.374,51 4.574,52 3.658,53 3.547,54 5.628,55 3.504,56 0.252,57 0.729,58 9.083,59 4.151,60 15.818,61 4.341,62 0.667,63 1.085,64 16.285,65 6.149,66 84.251,67 6.843,68 0.554,69 1.267,70 20.367,71 8.031,72 41.504,73 7.983,74 0.878,75 1.336,76 28.188,77 9.438,78 102.2,79 9.621,80 0.982,81 1.208,82 28.639,83 8.515,84 122.856,85 9.66,86 1.008,87 1.121,88 21.494,89 6.51,90 142.351,91 7.682,92 0.952,93 1.067,94 24.738,95 7.176,96 97.099,97 8.853,98 0.593,99 0.844,100 19.876,101 6.417,102 78.795,103 7.393,104 54,105 44,106 0.32,107 0.673,108 0.817,109 0.861,110 0.861,111 0.861,112 3.375,113 0.947,114 -3.22,115 -3.21,116 -3.08,119 37.8,120 1,124 2,142 5,143 2,144 3,145 1,151 1,152 1,155 1,166 4,172 3,174 4,175 9,183 6,186 2,187 14,195 3,198 3,199 13,207 1,211 6,212 11,223 8,224 4,232 2,236 7,237 3,245 2,250 5,258 3,262 2,263 8,271 2,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.631,282 15.228,283 10.272,284 18.702,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.558,291 13.111,292 4.709,293 15.37,294 3.604,295 1.514,296 0.664,297 0.406,298 0.406,299 0.406,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 46.745,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 63.5,331 309,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.557,342 3.775,343 6.547,344 4.055,345 3.091,346 4.514,347 0.86,348 10.36,349 2.979,350 4.235,351 3.139,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.771,360 2.716,361 5.731,362 3.325,363 2.368,364 3.237,366 7.146,367 2.283,368 3.711,369 2.628,370 5.292,371 3.28,372 2.312,373 3.142,375 6.727,376 2.213,377 3.422,378 2.265,379 5.096,380 2.925,381 1.973,382 2.76,384 5.921,385 1.87,386 3.011,387 1.916,388 4.694,389 2.571,390 1.615,391 2.12,393 4.399,394 1.533,395 2.914,396 1.892,397 4.156,398 2.237,399 1.266,400 2.012,402 3.456,403 1.235,404 2.717,405 1.381,406 3.912,407 2.227,408 1.235,409 1.808,411 3.009,412 1.217,413 2.626,414 1.25,415 3.768,416 2.068,417 1.083,418 1.633,420 2.793,421 1.065,422 2.236,423 1.056,424 3.32,425 1.774,426 0.829,427 1.121,428 1.874,429 0.779,430 1.892,431 1,432 3.111,433 1.371,434 0.481,435 0.594,436 0.89,437 0.423,438 1.554,439 0.887,440 2.802,441 1.143,442 0.225,443 0.305,445 0.43,446 0.206,447 1.251,448 0.554,449 2.744,450 0.88,451 -0.101,452 -0.129,454 -0.235,455 -0.099,456 1,457 0.406,458 2.35,459 0.356,460 -0.586,461 -0.723,463 -1.265,464 -0.545,465 13,466 0.464,467 0.938,468 0.033,469 40,470 1.429,471 22,472 0.786,473 18,474 0.643,475 19.979,476 0.714,477 30.8,478 0.684,479 33.939,480 1.212,481 8.088,482 0.289,483 5.146,484 0.184,485 0.218,486 0.064,487 0.323,493 0.43,494 1.301,495 0.736,496 1.291,497 0.586,498 0.979,499 0.769,500 1.074,501 0.7,502 0.788,503 0.515,504 0.697,505 0.951,506 1.292,507 1.242,508 1.299,509 0.713,510 1.066,511 1.258,512 1.229,513 1.395,514 1.345,515 1.36,516 1.23,517 1.098,518 0.934,519 0.952,520 0.949,521 1.307,522 0.922,523 0.824,524 1.078,525 0.986,526 1.02,527 0.705,528 1.051,529 0.95,530 0.749,531 0.999,532 0.781,533 1.078,534 0.95,535 1.076,536 0.887,537 0.901,538 0.894,539 1.158,540 0.863,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 33727,553 1.964,554 37.8,555 3,556 11,557 1,558 2,564 1.711,565 1.778,566 3.432,567 -0.601,568 1,569 1,573 84.94,574 1.888,575 3.978,576 4.828,577 5.086,578 5.086,579 5.086,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 247.133,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 0.88,607 0.944,608 140.493,609 0.224,610 -0.056,611 0.218,612 -0.122,613 -0.081,614 -0.044,615 0.109,616 0.03,617 0.204,618 0.216,619 0.227,620 0.23,621 -0.133,622 -0.126,623 -0.18,624 -0.138,625 0.04,626 -0.123,627 -0.232,628 -0.205,629 -0.298,630 -0.248,631 -0.208,632 -0.265,633 -0.05,634 0.009,635 0.1,636 0.024,637 -0.184,638 0.064,639 0.216,640 -0.051,641 -0.027,642 -0.086,643 0.365,644 -0.138,645 0.025,646 0.196,647 -0.024,648 0.113,649 -0.035,650 0.029,651 -0.139,652 0.026,653 0.093,654 0.1,655 -0.134,656 0.176,657 4.983,658 5.8,659 0.536,660 23.745,661 1.034,662 1.132,663 1.989,664 3.956,665 0.678,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.667,678 403.46,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 11.1,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,729 1,731 45,733 21,734 1,735 30,737 47,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 17,782 8,784 11,785 1,790 5,794 0.667,795 5,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 28,852 1,856 1,859 1,870 11.1,873 2,875 1,876 2,877 15.75,878 9.167,879 6.111,880 2.333,881 3.814,882 1.526,883 0.962,884 5.472,885 11.062,886 3.784,887 4.474,888 5.055,889 5.62,890 6.134,891 6.504,892 6.791,893 7.088,894 7.127,895 7.397,896 1,897 47,898 10.643,900 4.895,901 8.229,902 18.793,904 15.069,905 2.729,906 76.417,909 1,910 200.109,911 126.502,912 41.556,914 106.06,916 5.807,917 120.694,918 306.168,919 41.556,920 33.775,922 62.236,923 93.566,924 55.192,925 13.915,926 164.795,927 50.747,928 200.109,929 162.25,930 106.06,931 5.807,933 200.109,934 55.313,935 50.747,937 37.096,938 93.774,939 37.188,941 200.109,942 147.616,943 126.502,945 5.807,946 200.109,947 18.066,948 110.858,950 139.386,951 200.109,952 147.616,953 126.502,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.128,962 6,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 128.606,973 1,974 19.955,975 7.678,976 3.924,977 0.681,978 140.782,979 10.396,980 4.164,984 1.097,987 474.226,988 43,990 -0.645,991 -4.066,993 47.535,995 1.353,996 3.992,999 46.524,1000 50.95,1001 0.344,1002 0.724,1003 0.879,1004 0.926,1005 0.926,1006 0.926,1007 5.037,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.162,1013 2.616,1014 6.81,1015 4.396,1016 6.317,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.206,1025 7.693,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.565,1031 4.172,1032 11.178,1033 6.012,1034 9.115,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.552,1040 4.506,1041 13.319,1042 6.602,1043 10.571,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.312,1049 5.95,1050 16.031,1051 7.961,1052 12.052,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.622,1058 6.556,1059 18.475,1060 8.872,1061 13.553,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.235,1067 7.795,1068 21.105,1069 10.083,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.679,1076 8.548,1077 23.657,1078 11.13,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.243,1085 9.67,1086 26.27,1087 12.294,1088 2.756,1089 10.36,1090 22.722,1091 4.803,1092 14.159,1093 17.744,1094 10.509,1095 28.861,1096 13.399,1097 2.368,1098 8.469,1099 24.714,1100 4.514,1101 15.392,1102 19.294,1103 11.563,1104 31.474,1105 14.551,1106 2.312,1107 7.146,1108 26.716,1109 3.917,1110 16.616,1111 20.82,1112 12.452,1113 34.08,1114 15.684,1115 1.973,1116 6.727,1117 28.725,1118 3.237,1119 17.854,1120 22.367,1121 13.468,1122 36.695,1123 16.836,1124 1.615,1125 5.921,1126 30.739,1127 3.142,1128 19.091,1129 23.906,1130 14.386,1131 39.308,1132 17.983,1133 9087,1134 17607,1135 18.898,1136 30.517,1137 45.946,1138 48.163,1139 48.352,1140 45.466,1141 45.538,1142 63.933,1143 6.945,1144 138.406,1145 43.481,1146 5.762,1147 6.741,1148 7.247,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.851,1156 1.532,1157 1.605,1158 1.612,1159 1.516,1160 1.518,1161 2.131,1162 0.231,1163 4.614,1164 1.449,1165 4.143,1166 4.173,1167 4.742,1168 4.085,1169 7.815,1170 4.024,1171 4.078,1172 4.083,1173 4.083,1174 3.955,1175 7.715,1176 3.965,1177 3.788,1178 3.788,1179 3.881,1180 3.612,1181 6.999,1182 3.566,1183 3.511,1184 3.549,1185 3.45,1186 3.336,1187 6.999,1188 3.343,1189 3.451,1190 3.482,1191 3.412,1192 3.151,1193 5.1,1194 3.197,1195 3.231,1196 3.284,1197 3.16,1198 2.957,1199 4.688,1200 2.969,1201 3.104,1202 3.181,1203 2.916,1204 2.876,1205 4.645,1206 2.859,1207 3.005,1208 3.082,1209 2.8,1210 2.705,1211 4.543,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.899,1238 1.868,1239 1.976,1240 2.057,1241 1.1,1242 2.032,1243 1.596,1244 1.584,1245 1.686,1246 1.857,1247 0.79,1248 1.831,1249 1.445,1250 1.427,1251 1.574,1252 1.699,1253 0.637,1254 1.648,1255 1.312,1256 1.259,1257 1.565,1258 1.587,1259 0.612,1260 1.588,1261 1.203,1262 1.126,1263 1.553,1264 1.537,1265 0.563,1266 1.545,1267 1.075,1268 1.007,1269 1.151,1270 1.326,1271 0.421,1272 1.376,1273 0.907,1274 0.84,1275 1.117,1276 1.25,1277 0.116,1278 1.259,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 4.361,1297 5.181,1300 0.767,1305 30.029,1306 84.94,1307 178.994,1308 217.259,1309 228.869,1310 228.869,1311 228.869,1312 71.794,1313 7.248,1314 122.09,1315 130.47,1316 17,1317 12.643,1318 4.459,1319 3.807,1320 49.743,1321 111,1322 109,1323 0.22,1324 190.397,1325 326.58,1326 456.329,1327 13573,1329 20.474,1330 0.731,1331 0.576,1332 20.724,1333 16.121,1334 13.234,1335 0.441,1336 0.316,1337 7.964,1338 11.604,1339 7.582,1340 6.357,1341 14.023,1342 9.471,1343 12.549,1344 0.285,1345 0.177,1346 13.892,1347 7.805,1348 10.623,1349 0.183,1350 0.102,1351 12.009,1352 5.912,1353 7.865,1354 0.112,1355 0.053,1356 8.911,1357 3.735,1358 6.123,1359 0.072,1360 0.029,1361 6.96,1362 2.44,1363 0.345,1364 93.428,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 571.764,1370 209.744,1371 559.975,1372 745,1373 512,1374 176,1375 524.755,1376 245.978,1377 559.007,1378 805.81,1379 518,1380 6.721}
{0 CHEMBL1928544,1 1.92,2 10.37,3 2.974,4 8.844,5 100.277,6 9.272,7 0.552,8 3.885,9 3.972,10 3.769,11 3.409,12 5.163,13 3.406,14 4.37,15 4.496,16 4.094,17 3.774,18 5.908,19 3.78,20 4.557,21 4.682,22 4.16,23 3.92,24 6,25 3.899,26 4.717,27 4.874,28 4.07,29 3.875,30 6.13,31 3.844,32 4.628,33 4.815,34 4.016,35 3.704,36 6.006,37 3.694,38 4.506,39 4.661,40 3.956,41 3.633,42 6.237,43 3.626,44 4.532,45 4.754,46 3.742,47 3.582,48 5.938,49 3.534,50 4.259,51 4.428,52 3.621,53 3.488,54 5.593,55 3.456,56 0.269,57 0.694,58 8.037,59 3.829,60 27.09,61 3.753,62 0.59,63 1.042,64 13.017,65 5.666,66 85.684,67 6.094,68 0.592,69 1.222,70 19.02,71 7.727,72 60.62,73 7.328,74 0.935,75 1.255,76 27.155,77 8.926,78 130.343,79 8.686,80 0.974,81 1.096,82 24.981,83 7.501,84 138.792,85 7.795,86 0.971,87 1.017,88 18.3,89 5.959,90 154.268,91 6.541,92 0.953,93 0.957,94 23.429,95 6.636,96 110.965,97 7.936,98 0.559,99 0.766,100 16.221,101 5.877,102 86.591,103 6.186,104 51,105 43,106 0.329,107 0.699,108 0.822,109 0.869,110 0.869,111 0.869,112 3.34,113 0.94,114 -2.98,115 -2.98,116 -2.87,119 38.1,120 1,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,166 4,172 3,174 4,175 7,180 2,183 6,186 2,187 14,195 3,198 2,199 12,202 1,204 1,207 1,211 5,212 11,215 1,223 7,224 4,227 1,232 2,236 6,237 3,240 1,245 2,250 5,258 3,263 8,266 2,271 2,275 1083,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 13.072,283 9.769,284 17.693,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.623,292 4.562,293 14.833,294 3.472,295 1.312,296 0.598,297 0.322,298 0.322,299 0.322,300 4.011,303 1,304 1,305 1,306 591,307 4.183,310 64.287,311 174.415,314 119.432,318 1.542,319 49.83,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 61.5,331 280,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.554,342 3.775,343 6.543,344 4.051,345 3.086,346 4.512,348 10.344,349 2.976,350 4.235,351 3.119,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.767,360 2.658,361 5.731,362 3.313,363 2.335,364 3.236,366 7.144,367 2.281,368 3.66,369 2.497,370 5.168,371 3.218,372 2.254,373 3.093,375 6.226,376 2.165,377 3.402,378 2.242,379 4.95,380 2.902,381 1.949,382 2.742,384 5.706,385 1.849,386 3.011,387 1.912,388 4.694,389 2.571,390 1.615,391 2.119,393 4.398,394 1.533,395 2.914,396 1.886,397 4.14,398 2.236,399 1.255,400 2.012,402 3.421,403 1.234,404 2.71,405 1.372,406 3.911,407 2.22,408 1.234,409 1.799,411 3.006,412 1.21,413 2.622,414 1.175,415 3.768,416 2.065,417 1.079,418 1.628,420 2.792,421 1.062,422 2.215,423 1,424 3.306,425 1.731,426 0.78,427 1.083,428 1.819,429 0.739,430 1.865,431 0.931,432 3.1,433 1.254,434 0.31,435 0.451,436 0.72,437 0.292,438 1.251,439 0.635,440 2.765,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1.01,448 0.41,449 2.376,450 0.575,451 -0.346,452 -0.438,454 -0.805,455 -0.315,456 1,457 -0.034,458 2.342,459 0.156,460 -0.816,461 -1.01,463 -2,464 -0.777,465 12.5,466 0.463,467 0.976,468 0.036,469 39.25,470 1.454,471 22,472 0.815,473 17.25,474 0.639,475 18.504,476 0.685,477 29.5,478 0.702,479 32.977,480 1.221,481 7.844,482 0.291,483 4.852,484 0.18,485 0.213,486 0.067,487 0.336,493 0.463,494 1.219,495 0.747,496 1.211,497 0.66,498 0.914,499 0.607,500 1.161,501 0.677,502 0.874,503 0.499,504 0.768,505 0.942,506 1.291,507 1.267,508 1.315,509 0.752,510 1.1,511 1.272,512 1.183,513 1.399,514 1.306,515 1.298,516 1.188,517 1.189,518 0.902,519 1.009,520 0.941,521 1.32,522 0.915,523 0.831,524 1.109,525 1.034,526 1.088,527 0.761,528 1.134,529 0.952,530 0.623,531 0.944,532 0.668,533 1.016,534 0.816,535 1.116,536 0.933,537 0.968,538 0.991,539 1.181,540 0.966,541 7.5,542 0.153,543 4.889,544 2.542,545 1.804,546 1.316,547 0.651,548 0.441,549 0.295,550 0.215,551 8332,552 32010,553 1.963,554 35.7,555 3,556 8,557 1,558 2,559 1,564 1.701,565 1.77,566 3.359,567 -0.162,568 1,569 1,573 80.655,574 1.92,575 4.08,576 4.794,577 5.071,578 5.071,579 5.071,580 2.745,581 4.459,582 4.73,583 3.53,584 1239,585 8.21,586 15862,587 1,588 1,590 1,591 226.477,592 1.74,593 4.637,594 0.259,595 0.008,596 0.114,597 0.056,598 0.046,599 0.038,600 0.02,601 0.016,602 0.011,603 0.009,604 0.576,605 0.33,606 0.88,607 0.857,608 133.558,609 0.19,610 0.017,611 0.198,612 -0.052,613 -0.109,614 -0.003,615 0.162,616 -0.033,617 0.186,618 0.13,619 0.219,620 0.149,621 -0.139,622 -0.15,623 -0.206,624 -0.167,625 0.007,626 -0.158,627 -0.243,628 -0.187,629 -0.271,630 -0.209,631 -0.205,632 -0.207,633 -0.107,634 0.048,635 0.061,636 0.038,637 -0.203,638 0.061,639 0.219,640 -0.097,641 -0.068,642 -0.144,643 0.301,644 -0.221,645 0.043,646 0.29,647 0.08,648 0.24,649 -0.019,650 0.202,651 -0.17,652 -0.013,653 0.008,654 0.029,655 -0.165,656 0.073,657 5.003,658 5.734,659 0.556,660 22.189,661 1.039,662 1.132,663 1.746,664 3.047,665 0.685,666 3.401,667 3.784,668 4.043,669 4.234,670 4.419,671 4.454,672 4.431,673 4.466,674 4.357,675 4.357,676 6.342,677 0.679,678 389.43,679 3.401,680 4.977,681 5.838,682 6.735,683 7.617,684 8.515,685 9.403,686 10.302,687 11.192,688 12.091,689 11.9,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,728 1,731 42,733 21,734 1,735 29,737 44,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 15,782 8,783 1,784 11,785 1,790 5,794 0.667,795 5,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 27,852 1,853 1,859 1,870 11.9,872 1,873 2,876 2,877 15.25,878 8.2,879 5.778,880 2.174,881 3.804,882 1.532,883 0.953,884 4.978,885 10.952,886 3.761,887 4.463,888 5.036,889 5.603,890 6.112,891 6.46,892 6.73,893 7.037,894 7.041,895 7.304,896 0.857,897 45,898 10.288,900 4.829,901 8.349,902 17.959,904 14.594,905 2.849,906 76.917,909 1,910 164.795,911 110.375,912 41.556,914 137.743,916 5.807,917 104.568,918 302.539,919 41.556,920 22.892,922 62.236,923 136.249,924 38.949,925 13.915,926 129.482,927 50.747,928 164.795,929 146.124,930 137.743,931 5.807,933 164.795,934 86.996,935 50.747,937 37.096,938 77.648,939 37.188,941 164.795,942 179.299,943 110.375,945 5.807,946 164.795,947 12.823,948 99.975,950 171.069,951 164.795,952 179.299,953 110.375,955 0.605,956 0.357,957 0.172,958 0.094,959 21,960 11,961 0.114,962 5,963 1,964 1.133,965 3.707,966 229.671,967 0.133,968 15,969 124.382,973 1,974 18.983,975 7.08,976 3.687,977 0.538,978 172.465,979 9.562,980 4.075,984 0.363,986 42.683,987 454.47,988 42,990 -0.66,991 -4.086,993 47.332,995 1.284,996 3.926,999 43.64,1000 47.535,1001 0.356,1002 0.757,1003 0.889,1004 0.94,1005 0.94,1006 0.94,1007 5.017,1008 1.255,1009 5.894,1010 4.398,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.38,1016 6.304,1017 1.234,1018 7.53,1019 3.421,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.206,1025 7.683,1026 1.079,1027 9.281,1028 3.006,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 5.999,1034 9.105,1035 0.78,1036 11.103,1037 2.792,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.595,1043 10.562,1044 0.31,1045 12.973,1046 1.819,1047 8.288,1048 10.307,1049 5.948,1050 16.024,1051 7.952,1052 12.044,1053 -0.101,1054 14.878,1055 0.72,1056 9.301,1057 11.618,1058 6.556,1059 18.471,1060 8.865,1061 13.545,1062 -0.346,1063 16.81,1064 -0.233,1065 10.572,1066 13.231,1067 7.794,1068 21.102,1069 10.076,1070 3.535,1071 -0.816,1072 18.763,1073 -0.805,1074 11.716,1075 14.676,1076 8.548,1077 23.655,1078 11.124,1079 3.086,1080 13.729,1081 20.733,1082 -2,1083 12.954,1084 16.24,1085 9.67,1086 26.269,1087 12.288,1088 2.756,1089 10.344,1090 22.716,1091 4.803,1092 14.153,1093 17.741,1094 10.509,1095 28.86,1096 13.394,1097 2.335,1098 8.469,1099 24.71,1100 4.512,1101 15.387,1102 19.291,1103 11.563,1104 31.473,1105 14.547,1106 2.254,1107 7.144,1108 26.712,1109 3.917,1110 16.612,1111 20.818,1112 12.452,1113 34.08,1114 15.68,1115 1.949,1116 6.226,1117 28.722,1118 3.236,1119 17.85,1120 22.365,1121 13.468,1122 36.694,1123 16.833,1124 1.615,1125 5.706,1126 30.737,1127 3.093,1128 19.088,1129 23.904,1130 14.386,1131 39.308,1132 17.98,1133 8210,1134 16270,1135 18.205,1136 28.756,1137 45.071,1138 46.867,1139 46.951,1140 44.419,1141 44.378,1142 62.792,1143 5.225,1144 135.551,1145 42.561,1146 5.762,1147 6.741,1148 7.08,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.304,1156 1.554,1157 1.616,1158 1.619,1159 1.532,1160 1.53,1161 2.165,1162 0.18,1163 4.674,1164 1.468,1165 4.142,1166 4.172,1167 4.742,1168 4.085,1169 7.815,1170 4.023,1171 4.077,1172 4.083,1173 4.08,1174 3.953,1175 7.715,1176 3.964,1177 3.788,1178 3.788,1179 3.881,1180 3.612,1181 6.999,1182 3.565,1183 3.501,1184 3.542,1185 3.445,1186 3.322,1187 6.999,1188 3.326,1189 3.421,1190 3.446,1191 3.39,1192 3.15,1193 6.471,1194 3.195,1195 3.169,1196 3.22,1197 3.118,1198 2.918,1199 5.054,1200 2.918,1201 3.01,1202 3.092,1203 2.847,1204 2.771,1205 4.65,1206 2.782,1207 3.001,1208 3.08,1209 2.8,1210 2.678,1211 4.572,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.896,1238 1.865,1239 1.972,1240 2.053,1241 1.089,1242 2.028,1243 1.596,1244 1.583,1245 1.684,1246 1.856,1247 0.789,1248 1.831,1249 1.444,1250 1.425,1251 1.565,1252 1.699,1253 0.625,1254 1.648,1255 1.312,1256 1.259,1257 1.561,1258 1.582,1259 0.611,1260 1.588,1261 1.077,1262 1.011,1263 1.155,1264 1.33,1265 0.421,1266 1.377,1267 0.962,1268 0.895,1269 1.138,1270 1.286,1271 0.116,1272 1.26,1273 0.907,1274 0.84,1275 1.068,1276 1.25,1277 0.084,1278 1.244,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1289 2.773,1294 9.583,1300 0.728,1305 28.502,1306 80.655,1307 171.358,1308 201.358,1309 212.968,1310 212.968,1311 212.968,1312 73.174,1313 7.148,1314 133.09,1315 141.47,1316 17,1317 12.615,1318 4.459,1319 3.807,1320 47.025,1321 103,1322 90,1323 0.223,1324 180.805,1325 309.28,1326 432.924,1327 11922,1329 19.767,1330 0.732,1331 0.561,1332 20.017,1333 15.16,1334 12.696,1335 0.438,1336 0.313,1337 7.601,1338 11.152,1339 7.273,1340 6.069,1341 13.485,1342 9.083,1343 12.38,1344 0.288,1345 0.177,1346 13.723,1347 7.624,1348 10.199,1349 0.182,1350 0.102,1351 11.586,1352 5.688,1353 7.623,1354 0.112,1355 0.053,1356 8.669,1357 3.617,1358 5.988,1359 0.073,1360 0.029,1361 6.825,1362 2.363,1363 0.35,1364 89.662,1365 0.234,1366 25.795,1367 0.615,1368 144,1369 556.178,1370 204.969,1371 550.021,1372 728.32,1373 500,1374 171,1375 513.24,1376 239.982,1377 546.644,1378 788.4,1379 508,1380 5.585}
{0 CHEMBL1928545,1 1.902,2 11.833,3 3.009,4 9.054,5 109.716,6 9.18,7 0.5,8 3.987,9 4.072,10 3.853,11 3.5,12 5.254,13 3.502,14 4.488,15 4.618,16 4.184,17 3.848,18 6.022,19 3.86,20 4.656,21 4.775,22 4.233,23 3.991,24 6.083,25 3.983,26 4.783,27 4.927,28 4.181,29 3.988,30 6.2,31 3.966,32 4.764,33 4.939,34 4.145,35 3.874,36 6.119,37 3.863,38 4.691,39 4.858,40 4.11,41 3.818,42 6.332,43 3.808,44 4.694,45 4.907,46 3.939,47 3.759,48 6.119,49 3.727,50 4.463,51 4.64,52 3.746,53 3.641,54 5.795,55 3.601,56 0.277,57 0.755,58 8.688,59 4.315,60 24.169,61 4.322,62 0.735,63 1.123,64 15.635,65 6.431,66 96.514,67 7.067,68 0.771,69 1.3,70 21.632,71 8.321,72 74.939,73 7.572,74 0.96,75 1.367,76 27.433,77 9.525,78 123.915,79 9.262,80 1.075,81 1.268,82 26.996,83 8.692,84 147.937,85 9.101,86 1.126,87 1.215,88 22.985,89 7.41,90 164.169,91 8.651,92 1.077,93 1.151,94 26.09,95 7.567,96 118.652,97 9.154,98 0.717,99 0.938,100 19.348,101 6.832,102 100.706,103 7.449,104 70,105 47,106 0.318,107 0.68,108 0.802,109 0.864,110 0.864,111 0.864,112 3.44,113 0.935,114 -3.47,115 -3.45,116 -3.3,119 38.3,120 2,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,158 1,166 4,172 3,174 5,175 11,183 6,186 2,187 14,195 3,198 3,199 15,207 3,211 6,212 11,223 9,224 6,232 3,236 8,237 4,245 2,249 1,250 6,258 3,262 3,263 9,271 2,275 1430,276 19.203,277 19.203,278 19.203,279 19.203,280 19.203,281 16.416,282 16.013,283 10.922,284 19.613,285 15.719,286 15.719,287 15.719,288 15.719,289 15.719,290 11.359,291 13.623,292 5.125,293 16.413,294 3.652,295 1.492,296 0.763,297 0.389,298 0.389,299 0.389,300 4.112,304 1,305 1,306 740,307 4.637,310 74.02,311 197.166,314 135.664,318 1.711,319 54.836,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 1,329 0.63,330 68.5,331 355,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.558,342 3.775,343 6.547,344 4.057,345 3.094,346 4.514,347 2.443,348 10.364,349 2.98,350 4.235,351 3.656,352 6.051,353 3.731,354 2.756,355 3.917,356 0.286,357 8.469,358 2.685,359 3.819,360 3.114,361 5.731,362 3.429,363 2.489,364 3.241,366 7.173,367 2.325,368 3.76,369 2.66,370 5.406,371 3.305,372 2.324,373 3.201,375 7.112,376 2.274,377 3.481,378 2.537,379 5.117,380 3.014,381 2.036,382 2.801,384 5.975,385 1.981,386 3.295,387 2.253,388 4.694,389 2.822,390 1.833,391 2.506,393 4.567,394 1.791,395 3.011,396 1.914,397 4.431,398 2.571,399 1.615,400 2.119,402 4.394,403 1.533,404 2.914,405 1.889,406 4.135,407 2.236,408 1.253,409 2.012,411 3.42,412 1.234,413 2.71,414 1.375,415 3.911,416 2.22,417 1.234,418 1.797,420 3.007,421 1.209,422 2.622,423 1.196,424 3.768,425 2.065,426 1.079,427 1.628,428 2.792,429 1.062,430 2.218,431 1,432 3.312,433 1.736,434 0.783,435 1.087,436 1.838,437 0.743,438 1.87,439 0.963,440 3.105,441 1.265,442 0.32,443 0.462,445 0.752,446 0.301,447 1.251,448 0.813,449 2.769,450 0.881,451 -0.099,452 -0.126,454 -0.23,455 -0.096,456 1.203,457 0.551,458 2.633,459 0.771,460 -0.155,461 -0.193,463 -0.398,464 -0.141,465 13.833,466 0.461,467 1.082,468 0.036,469 42.75,470 1.425,471 23.5,472 0.783,473 19.25,474 0.642,475 22.009,476 0.734,477 32.967,478 0.701,479 37.47,480 1.249,481 8.6,482 0.287,483 5.49,484 0.183,485 0.229,486 0.06,487 0.34,493 0.448,494 1.289,495 0.722,496 1.282,497 0.586,498 0.968,499 0.604,500 1.14,501 0.65,502 0.873,503 0.476,504 0.752,505 1.15,506 1.198,507 1.309,508 1.201,509 0.845,510 1.018,511 1.213,512 1.211,513 1.376,514 1.322,515 1.242,516 1.186,517 1.145,518 0.983,519 1.022,520 1.005,521 1.311,522 0.995,523 0.75,524 1.093,525 0.937,526 1.029,527 0.705,528 1.059,529 0.906,530 0.727,531 0.923,532 0.723,533 0.969,534 0.851,535 1.065,536 1.027,537 1.034,538 1.036,539 1.126,540 1.086,541 8.5,542 0.219,543 4.889,544 2.792,545 1.924,546 1.434,547 0.879,548 0.554,549 0.319,550 0.295,551 11153,552 43684,553 1.948,554 36.2,555 3,556 8,557 1,558 2,560 3,564 1.728,565 1.756,566 3.529,567 -0.594,568 1,569 1,573 89.401,574 1.902,575 4.062,576 4.791,577 5.166,578 5.166,579 5.166,580 2.911,581 4.482,582 4.88,583 3.706,584 1612.02,585 8.511,586 22553.7,588 1,590 1,591 261.066,592 1.731,593 4.788,594 0.266,595 0.008,596 0.104,597 0.057,598 0.043,599 0.035,600 0.022,601 0.016,602 0.011,603 0.01,604 0.571,605 0.33,606 0.88,607 1.096,608 154.673,609 0.188,610 -0.05,611 0.204,612 -0.118,613 -0.079,614 -0.042,615 0.214,616 -0.032,617 0.238,618 0.134,619 0.243,620 0.18,621 -0.242,622 -0.065,623 -0.242,624 -0.059,625 -0.05,626 -0.091,627 -0.233,628 -0.175,629 -0.282,630 -0.216,631 -0.186,632 -0.218,633 -0.117,634 -0.01,635 0.004,636 -0.026,637 -0.225,638 -0.024,639 0.221,640 -0.088,641 0.025,642 -0.087,643 0.272,644 -0.109,645 0.042,646 0.228,647 0.063,648 0.171,649 0.009,650 0.143,651 -0.151,652 -0.081,653 -0.078,654 -0.053,655 -0.158,656 -0.068,657 5.038,658 5.838,659 0.5,660 28.156,661 1.039,662 1.131,663 2.242,664 5.029,665 0.68,666 3.497,667 3.871,668 4.111,669 4.317,670 4.5,671 4.585,672 4.635,673 4.673,674 4.585,675 4.625,676 7.052,677 0.675,678 431.47,679 3.497,680 5.069,681 5.922,682 6.817,683 7.693,684 8.591,685 9.475,686 10.374,687 11.262,688 12.162,689 10.6,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,731 47,733 22,734 1,735 32,737 49,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 15,762 3,766 6,768 1,769 1,771 5,773 1,774 1,775 1,778 1,781 17,782 9,784 12,785 1,790 5,794 0.667,795 6,803 1,805 1,811 1,812 2,815 1,829 1,840 2,842 1,844 3,848 30,852 1,856 1,859 1,870 12.8,873 3,875 1,876 2,877 17.083,878 9.583,879 6.444,880 2.499,881 3.909,882 1.527,883 0.956,884 5.989,885 11.334,886 3.85,887 4.53,888 5.074,889 5.652,890 6.163,891 6.548,892 6.883,893 7.211,894 7.262,895 7.57,896 0.875,897 49,898 11.409,900 5.269,901 8.336,902 19.945,904 15.946,905 2.836,906 85.083,909 1,910 200.109,911 131.635,912 41.556,914 131.205,916 5.807,917 125.828,918 331.313,919 41.556,920 31.717,922 62.236,923 125.902,924 55.192,925 13.915,926 164.795,927 50.747,928 200.109,929 167.384,930 131.205,931 5.807,933 200.109,934 80.458,935 50.747,937 45.921,938 90.083,939 37.188,941 200.109,942 172.761,943 131.635,945 5.807,946 200.109,947 25.258,948 108.8,950 164.531,951 200.109,952 172.761,953 131.635,955 0.601,956 0.343,957 0.169,958 0.091,959 22,960 12,961 0.143,962 7,963 1,964 1.133,965 3.953,966 262.85,967 0.133,968 15,969 143.207,973 1,974 21.589,975 8.322,976 4.57,977 0.537,978 165.927,979 9.769,980 4.124,984 0.579,987 504.505,988 46,990 -0.665,991 -4.122,993 58.791,995 1.282,996 3.96,997 -0.479,999 48.851,1000 53.159,1001 0.342,1002 0.731,1003 0.863,1004 0.93,1005 0.93,1006 0.93,1007 5.106,1008 1.615,1009 5.974,1010 4.567,1011 4.554,1012 5.218,1013 3.102,1014 6.858,1015 4.466,1016 6.385,1017 1.253,1018 7.599,1019 4.394,1020 4.443,1021 5.407,1022 2.946,1023 8.129,1024 4.288,1025 7.757,1026 1.234,1027 9.34,1028 3.42,1029 6.267,1030 7.596,1031 4.694,1032 11.199,1033 6.064,1034 9.17,1035 1.079,1036 11.151,1037 3.007,1038 6.938,1039 8.575,1040 5.082,1041 13.326,1042 6.648,1043 10.618,1044 0.783,1045 13.012,1046 2.792,1047 8.337,1048 10.327,1049 6.435,1050 16.038,1051 7.995,1052 12.092,1053 0.32,1054 14.909,1055 1.838,1056 9.335,1057 11.632,1058 7.069,1059 18.479,1060 8.898,1061 13.586,1062 -0.099,1063 16.834,1064 0.752,1065 10.603,1066 13.242,1067 8.236,1068 21.107,1069 10.104,1070 3.535,1071 -0.155,1072 18.782,1073 -0.23,1074 11.739,1075 14.684,1076 9.001,1077 23.658,1078 11.145,1079 3.094,1080 13.729,1081 20.747,1082 -0.398,1083 12.974,1084 16.247,1085 10.071,1086 26.271,1087 12.306,1088 2.756,1089 10.364,1090 22.727,1091 4.803,1092 14.169,1093 17.746,1094 10.91,1095 28.862,1096 13.409,1097 2.489,1098 8.469,1099 24.718,1100 4.514,1101 15.4,1102 19.295,1103 11.925,1104 31.474,1105 14.559,1106 2.324,1107 7.173,1108 26.719,1109 3.917,1110 16.622,1111 20.821,1112 12.807,1113 34.08,1114 15.69,1115 2.036,1116 7.112,1117 28.727,1118 3.241,1119 17.859,1120 22.368,1121 13.793,1122 36.695,1123 16.841,1124 1.833,1125 5.975,1126 30.741,1127 3.201,1128 19.095,1129 23.907,1130 14.701,1131 39.308,1132 17.987,1133 11079,1134 22121,1135 19.997,1136 31.972,1137 49.533,1138 51.623,1139 51.437,1140 48.717,1141 48.702,1142 68.173,1143 10.683,1144 147.188,1145 46.747,1146 5.762,1147 6.741,1148 7.076,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 20.279,1156 1.548,1157 1.613,1158 1.607,1159 1.522,1160 1.522,1161 2.13,1162 0.334,1163 4.6,1164 1.461,1165 4.144,1166 4.174,1167 4.742,1168 4.085,1169 7.815,1170 4.025,1171 4.078,1172 4.083,1173 4.084,1174 3.955,1175 7.715,1176 3.966,1177 3.789,1178 3.789,1179 3.881,1180 3.613,1181 7.434,1182 3.566,1183 3.571,1184 3.587,1185 3.514,1186 3.363,1187 6.999,1188 3.383,1189 3.485,1190 3.527,1191 3.437,1192 3.202,1193 6.999,1194 3.221,1195 3.356,1196 3.391,1197 3.299,1198 3.149,1199 5.092,1200 3.184,1201 3.15,1202 3.208,1203 3.068,1204 2.913,1205 4.654,1206 2.907,1207 3.006,1208 3.083,1209 2.827,1210 2.757,1211 4.611,1212 2.767,1213 0.155,1214 0.148,1215 0.241,1216 0.139,1217 0.11,1218 4.96,1219 0.15,1220 4.741,1221 0.082,1222 7.698,1223 0.429,1224 4.463,1225 0.102,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.899,1238 1.87,1239 1.974,1240 2.058,1241 1.099,1242 2.031,1243 1.597,1244 1.584,1245 1.694,1246 1.857,1247 0.79,1248 1.832,1249 1.448,1250 1.433,1251 1.672,1252 1.699,1253 0.695,1254 1.674,1255 1.404,1256 1.359,1257 1.565,1258 1.687,1259 0.626,1260 1.648,1261 1.312,1262 1.259,1263 1.561,1264 1.58,1265 0.611,1266 1.588,1267 1.077,1268 1.01,1269 1.152,1270 1.327,1271 0.421,1272 1.376,1273 0.936,1274 0.86,1275 1.127,1276 1.25,1277 0.121,1278 1.259,1279 4.174,1281 5.533,1282 2.398,1283 7.074,1284 4.727,1285 8.7,1286 6.823,1287 10.375,1289 4.036,1297 5.042,1300 0.721,1305 31.744,1306 89.401,1307 190.927,1308 225.191,1309 242.801,1310 242.801,1311 242.801,1312 85.542,1313 7.424,1314 139.16,1315 147.54,1316 17,1317 12.686,1318 4.524,1319 3.907,1320 55.39,1321 129,1322 121,1323 0.212,1324 201.058,1325 350.03,1326 482.342,1327 17145,1329 22.052,1330 0.735,1331 0.568,1332 22.302,1333 17.029,1334 14.09,1335 0.44,1336 0.312,1337 8.464,1338 12.405,1339 8.076,1340 6.748,1341 14.879,1342 9.971,1343 13.771,1344 0.293,1345 0.174,1346 15.113,1347 8.195,1348 10.851,1349 0.181,1350 0.099,1351 12.237,1352 5.938,1353 8.375,1354 0.113,1355 0.052,1356 9.421,1357 3.838,1358 6.42,1359 0.072,1360 0.028,1361 7.257,1362 2.487,1363 0.336,1364 98.841,1365 0.224,1366 28.322,1367 0.576,1368 158,1369 635.499,1370 223.397,1371 618.088,1372 817.44,1373 564,1374 186,1375 577.119,1376 257.972,1377 606.172,1378 874.35,1379 564,1380 6.208}
{0 CHEMBL1928546,1 1.938,2 11.111,3 2.584,4 6.679,5 99.026,6 9.857,7 0.552,8 3.815,9 3.899,10 3.755,11 3.391,12 5.15,13 3.39,14 4.284,15 4.391,16 4.036,17 3.746,18 5.881,19 3.752,20 4.475,21 4.606,22 4.099,23 3.871,24 5.933,25 3.85,26 4.588,27 4.748,28 4.028,29 3.796,30 6.034,31 3.771,32 4.505,33 4.691,34 3.941,35 3.565,36 5.949,37 3.571,38 4.289,39 4.446,40 3.882,41 3.384,42 6.198,43 3.434,44 4.16,45 4.309,46 3.619,47 3.323,48 5.806,49 3.325,50 3.944,51 4.084,52 3.535,53 3.356,54 5.334,55 3.328,56 0.235,57 0.67,58 6.018,59 3.363,60 26.761,61 2.936,62 0.53,63 0.985,64 10.054,65 5.193,66 89.833,67 4.937,68 0.543,69 1.156,70 12.212,71 6.634,72 66.777,73 6.044,74 0.73,75 1.204,76 22.171,77 7.994,78 116.771,79 7.049,80 0.908,81 1.025,82 21.296,83 6.704,84 152.627,85 5.799,86 0.872,87 0.857,88 14.874,89 4.446,90 148.573,91 3.922,92 0.719,93 0.715,94 12.654,95 4.5,96 113.226,97 3.651,98 0.323,99 0.646,100 9.052,101 4.356,102 47.889,103 4.205,104 41,105 42,106 0.334,107 0.714,108 0.82,109 0.871,110 0.871,111 0.871,112 3.34,113 0.928,114 -2.9,115 -2.91,116 -2.81,119 41,120 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 3,168 1,172 5,174 2,175 8,178 2,183 6,186 2,187 14,192 3,195 4,198 2,199 11,204 2,207 1,211 3,212 11,215 3,217 2,223 6,224 4,227 2,229 1,232 2,236 7,237 2,242 1,245 2,250 7,253 1,258 3,263 8,271 4,275 1060,276 17.687,277 17.687,278 17.687,279 17.687,280 17.687,281 14.94,282 14.452,283 10.089,284 18.007,285 14.193,286 14.193,287 14.193,288 14.193,289 14.193,290 9.896,291 10.981,292 4.642,293 14.729,294 3.347,295 1.138,296 0.522,297 0.224,298 0.224,299 0.224,300 4.014,303 1,304 1,305 1,306 632,307 4.062,310 64.419,311 173.743,314 119.052,318 1.531,319 46.619,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 61,331 300,332 4.888,333 4.705,334 7.393,335 4.354,336 3.431,337 4.75,338 2.612,339 12.824,340 3.143,341 4.562,342 4.058,343 6.546,344 4.059,345 3.091,346 4.519,347 2.035,348 10.359,349 2.991,350 4.222,351 3.774,352 5.952,353 3.693,354 2.722,355 3.905,357 8.308,358 2.638,359 3.893,360 3.094,361 5.5,362 3.35,363 2.358,364 3.275,366 6.756,367 2.338,368 3.727,369 2.54,370 5.291,371 3.235,372 2.244,373 3.204,375 6.714,376 2.222,377 3.454,378 2.374,379 5.092,380 2.925,381 1.964,382 2.779,384 5.906,385 1.883,386 3.024,387 2.108,388 4.226,389 2.33,390 1.362,391 2.017,393 3.561,394 1.314,395 2.917,396 1.905,397 4.145,398 2.236,399 1.239,400 1.983,402 3.311,403 1.235,404 2.873,405 1.63,406 3.793,407 2.189,408 1.211,409 1.75,411 2.881,412 1.18,413 2.667,414 1.314,415 3.506,416 2.016,417 1.052,418 1.605,420 2.432,421 1.011,422 2.577,423 1.171,424 3.266,425 1.712,426 0.736,427 1.162,428 1.641,429 0.717,430 2.083,431 1,432 2.962,433 1.335,434 0.396,435 0.692,436 0.638,437 0.371,438 1.256,439 0.723,440 2.781,441 0.906,442 -0.068,443 -0.087,445 -0.159,446 -0.066,447 1.204,448 0.512,449 2.639,450 0.783,451 -0.199,452 -0.27,454 -0.467,455 -0.195,456 1,457 0.078,458 2.312,459 0.282,460 -0.683,461 -1.07,463 -1.54,464 -0.656,465 12.567,466 0.465,467 0.858,468 0.032,469 41.5,470 1.537,471 24.5,472 0.907,473 17,474 0.63,475 17.014,476 0.63,477 28.233,478 0.724,479 32.91,480 1.219,481 8.169,482 0.303,483 4.644,484 0.172,485 0.178,486 0.066,487 0.302,493 0.359,494 1.073,495 0.731,496 1.149,497 0.568,498 0.842,499 0.566,500 1.136,501 0.79,502 0.973,503 0.471,504 0.858,505 0.863,506 1.204,507 1.005,508 1.117,509 0.711,510 1.105,511 1.183,512 1.24,513 1.449,514 1.404,515 1.102,516 1.233,517 1.397,518 0.881,519 1.121,520 0.932,521 1.495,522 0.915,523 1.005,524 0.91,525 1.008,526 0.881,527 0.858,528 0.805,529 1.397,530 0.691,531 1.207,532 0.752,533 1.599,534 0.905,535 0.876,536 0.946,537 0.954,538 1.038,539 0.806,540 0.96,541 7,542 0.153,543 4.222,544 2.417,545 1.604,546 1.264,547 0.488,548 0.387,549 0.274,550 0.255,551 8680,552 34754,553 1.984,554 30.8,555 3,556 5,557 1,558 2,559 1,564 1.699,565 1.81,566 3.433,567 -0.162,568 1,569 1,573 75.601,574 1.938,575 4.148,576 4.763,577 5.061,578 5.061,579 5.061,580 2.844,581 4.533,582 4.731,583 3.604,584 1265.06,585 8.2,586 16522.5,587 1,588 1,590 1,591 206.131,592 1.698,593 4.65,594 0.241,595 0.007,596 0.101,597 0.056,598 0.042,599 0.04,600 0.016,601 0.015,602 0.011,603 0.01,604 0.539,605 0.33,606 0.88,607 0.936,608 134.702,609 0.253,610 0.101,611 0.203,612 -0.041,613 -0.056,614 0.012,615 0.209,616 -0.07,617 0.052,618 0.017,619 0.23,620 0.031,621 -0.084,622 -0.169,623 -0.097,624 -0.112,625 0.003,626 -0.169,627 -0.221,628 -0.252,629 -0.254,630 -0.28,631 -0.143,632 -0.211,633 -0.194,634 0.048,635 0.048,636 0.085,637 -0.309,638 0.105,639 0.251,640 0.097,641 0.083,642 0.087,643 0.383,644 0.097,645 -0.103,646 0.255,647 -0.174,648 0.224,649 -0.245,650 0.025,651 -0.066,652 0.021,653 0.024,654 0.024,655 -0.019,656 0.067,657 5.015,658 5.409,659 0.556,660 22.584,661 1.042,662 1.128,663 1.673,664 2.8,665 0.712,666 3.401,667 3.761,668 4.007,669 4.22,670 4.394,671 4.454,672 4.419,673 4.431,674 4.357,675 4.394,676 6.647,677 0.712,678 384.41,679 3.401,680 4.963,681 5.814,682 6.706,683 7.577,684 8.471,685 9.348,686 10.243,687 11.122,688 12.017,689 15.4,691 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 39,733 22,734 1,735 29,737 41,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 1,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 12,782 8,783 1,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 1,848 27,852 1,855 1,861 1,866 1,868 1,870 10.3,873 2,876 2,877 14.917,878 7.5,879 5.903,880 2.055,881 4.038,882 1.561,883 0.981,884 4.915,885 11.239,886 3.807,887 4.474,888 5.049,889 5.634,890 6.152,891 6.555,892 6.855,893 7.123,894 7.202,895 7.505,896 1,897 43,898 10.232,900 4.768,901 8.386,902 17.81,904 14.404,905 2.886,906 77.917,910 129.482,911 121.766,912 87.502,914 95.06,916 5.807,917 115.959,918 224.542,919 87.502,920 14.495,922 78.519,923 110.167,924 71.798,925 13.915,926 94.169,927 50.747,928 129.482,929 203.461,930 95.06,931 5.807,933 129.482,934 44.313,935 50.747,937 83.041,938 89.039,939 37.188,941 129.482,942 182.562,943 121.766,945 5.807,946 129.482,947 16.008,948 90.183,949 32.884,950 159.445,951 129.482,952 182.562,953 121.766,955 0.594,956 0.348,957 0.174,958 0.093,959 20,960 10,961 0.122,962 5,963 1,964 1.133,965 3.782,966 225.137,967 0.133,968 15,969 124.382,973 1,974 18.529,975 7.161,976 3.799,977 0.573,978 175.728,979 9.799,980 4.076,984 0.686,986 16.282,987 433.81,988 44,990 -0.673,991 -4.098,993 46.55,995 1.244,996 3.714,999 40.647,1000 43.993,1001 0.367,1002 0.785,1003 0.901,1004 0.958,1005 0.958,1006 0.958,1007 5.056,1008 1.239,1009 5.855,1010 3.561,1011 4.443,1012 5.162,1013 3.019,1014 6.727,1015 4.367,1016 6.34,1017 1.211,1018 7.469,1019 3.311,1020 4.29,1021 5.323,1022 2.361,1023 7.974,1024 4.141,1025 7.711,1026 1.052,1027 9.195,1028 2.881,1029 6.151,1030 7.563,1031 4.585,1032 11.003,1033 5.97,1034 9.123,1035 0.736,1036 10.989,1037 2.432,1038 6.792,1039 8.525,1040 4.506,1041 13.065,1042 6.514,1043 10.567,1044 0.396,1045 12.827,1046 1.641,1047 8.197,1048 10.295,1049 6.263,1050 15.718,1051 7.88,1052 12.036,1053 -0.068,1054 14.698,1055 0.638,1056 9.166,1057 11.585,1058 6.556,1059 18.079,1060 8.745,1061 13.522,1062 -0.199,1063 16.592,1064 -0.159,1065 10.423,1066 13.198,1067 8.011,1068 20.638,1069 9.948,1070 3.431,1071 -0.683,1072 18.504,1073 -0.467,1074 11.529,1075 14.627,1076 8.548,1077 23.109,1078 10.953,1079 3.091,1080 12.824,1081 20.431,1082 -1.54,1083 12.742,1084 16.185,1085 9.813,1086 25.647,1087 12.097,1088 2.722,1089 10.359,1090 22.37,1091 4.75,1092 13.906,1093 17.674,1094 10.509,1095 28.161,1096 13.166,1097 2.358,1098 8.308,1099 24.319,1100 4.519,1101 15.111,1102 19.215,1103 11.655,1104 30.699,1105 14.291,1106 2.244,1107 6.756,1108 26.276,1109 3.905,1110 16.301,1111 20.731,1112 12.452,1113 33.23,1114 15.389,1115 1.964,1116 6.714,1117 28.24,1118 3.275,1119 17.508,1120 22.269,1121 13.525,1122 35.771,1123 16.511,1124 1.362,1125 5.906,1126 30.209,1127 3.204,1128 18.711,1129 23.797,1130 14.386,1131 38.311,1132 17.623,1133 8546,1134 17279,1135 18.493,1136 27.784,1137 45.356,1138 48.609,1139 45.825,1140 43.611,1141 43.608,1142 63.28,1143 9.294,1144 130.664,1145 42.082,1146 5.678,1147 6.705,1148 6.942,1149 5.416,1150 5.431,1151 7.75,1152 4.647,1153 20.462,1154 5.143,1155 16.361,1156 1.564,1157 1.676,1158 1.58,1159 1.504,1160 1.504,1161 2.182,1162 0.32,1163 4.506,1164 1.451,1165 4.14,1166 4.175,1167 4.736,1168 4.078,1169 7.815,1170 4.024,1171 4.078,1172 4.08,1173 4.088,1174 3.97,1175 7.717,1176 3.972,1177 3.771,1178 3.76,1179 3.88,1180 3.596,1181 6.999,1182 3.542,1183 3.517,1184 3.557,1185 3.476,1186 3.394,1187 6.999,1188 3.399,1189 3.45,1190 3.48,1191 3.43,1192 3.147,1193 6.82,1194 3.19,1195 3.176,1196 3.237,1197 3.151,1198 2.941,1199 5.073,1200 2.975,1201 3.007,1202 3.087,1203 2.825,1204 2.699,1205 4.658,1206 2.719,1207 2.909,1208 2.981,1209 2.8,1210 2.676,1211 4.601,1212 2.712,1213 0.169,1214 0.162,1215 0.255,1216 0.15,1217 0.118,1218 4.888,1219 0.164,1220 4.705,1221 0.09,1222 7.393,1223 0.442,1224 4.354,1225 0.108,1226 3.431,1227 4.75,1228 2.612,1229 12.824,1230 3.143,1231 1.989,1232 1.993,1233 2.019,1234 2.108,1235 1.223,1236 2.104,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.107,1242 2.038,1243 1.563,1244 1.555,1245 1.633,1246 1.823,1247 0.67,1248 1.789,1249 1.432,1250 1.429,1251 1.565,1252 1.692,1253 0.616,1254 1.647,1255 1.299,1256 1.251,1257 1.264,1258 1.545,1259 0.564,1260 1.563,1261 1.147,1262 1.086,1263 1.165,1264 1.386,1265 0.14,1266 1.345,1267 0.907,1268 0.84,1269 1.126,1270 1.271,1271 0.1,1272 1.27,1273 0.836,1274 0.762,1275 1.05,1276 1.1,1277 0.065,1278 1.087,1279 4.078,1281 5.425,1282 2.398,1283 6.961,1284 4.727,1285 8.583,1286 6.823,1287 10.251,1289 1.524,1296 2.031,1303 8.969,1304 2.006,1305 27.755,1306 75.601,1307 161.766,1308 185.766,1309 197.376,1310 197.376,1311 197.376,1312 70.951,1313 7.202,1314 145.44,1315 153.82,1316 17,1317 12.545,1318 4.524,1319 4,1320 47.135,1321 110,1322 101,1323 0.212,1324 177.748,1325 306.21,1326 425.465,1327 13107,1329 19.604,1330 0.726,1331 0.545,1332 19.854,1333 14.713,1334 12.814,1335 0.442,1336 0.309,1337 7.473,1338 11.359,1339 7.181,1340 5.991,1341 13.635,1342 8.974,1343 12.13,1344 0.289,1345 0.17,1346 13.435,1347 7.146,1348 9.827,1349 0.182,1350 0.094,1351 10.94,1352 5.094,1353 7.721,1354 0.115,1355 0.051,1356 8.754,1357 3.433,1358 5.887,1359 0.074,1360 0.027,1361 6.69,1362 2.129,1363 0.335,1364 90.301,1365 0.233,1366 25.997,1367 0.57,1368 142,1369 556.361,1370 197.525,1371 558.044,1372 733.88,1373 506,1374 167,1375 511.889,1376 231.347,1377 548.103,1378 783.22,1379 508,1380 7.886}
{0 CHEMBL1928547,1 1.909,2 11.036,3 2.565,4 6.578,5 102.838,6 9.487,7 0.533,8 3.876,9 3.966,10 3.782,11 3.449,12 5.183,13 3.44,14 4.358,15 4.48,16 4.075,17 3.805,18 5.91,19 3.805,20 4.544,21 4.679,22 4.155,23 3.941,24 5.976,25 3.92,26 4.678,27 4.835,28 4.137,29 3.92,30 6.084,31 3.886,32 4.688,33 4.888,34 4.065,35 3.769,36 6.065,37 3.746,38 4.52,39 4.684,40 3.984,41 3.614,42 6.323,43 3.634,44 4.362,45 4.52,46 3.745,47 3.568,48 5.916,49 3.536,50 4.235,51 4.409,52 3.629,53 3.573,54 5.527,55 3.507,56 0.237,57 0.708,58 7.21,59 3.692,60 24.577,61 3.517,62 0.534,63 1.05,64 12.68,65 5.818,66 91.612,67 6.136,68 0.531,69 1.246,70 14.358,71 7.015,72 63.769,73 6.788,74 0.699,75 1.341,76 22.628,77 8.491,78 107.101,79 7.952,80 0.966,81 1.246,82 29.753,83 8.484,84 147.919,85 8.111,86 1.07,87 1.031,88 19.955,89 5.951,90 190.955,91 5.669,92 0.744,93 0.889,94 15.361,95 5.862,96 111.445,97 5.753,98 0.379,99 0.844,100 12.97,101 5.893,102 66.838,103 6.478,104 54,105 44,106 0.325,107 0.703,108 0.791,109 0.862,110 0.862,111 0.862,112 3.375,113 0.94,114 -3.15,115 -3.14,116 -3.02,119 40.5,120 2,142 5,143 3,144 2,145 1,151 1,152 1,157 1,158 1,166 3,168 1,172 5,174 2,175 9,178 2,183 7,186 2,187 14,192 4,195 4,198 2,199 13,204 2,207 2,211 3,212 13,215 3,217 2,220 1,223 6,224 4,227 2,229 1,232 5,236 7,237 3,242 1,245 4,250 8,253 1,258 4,263 10,271 4,275 1148,276 18.187,277 18.187,278 18.187,279 18.187,280 18.187,281 15.348,282 16.461,283 10.271,284 18.522,285 14.661,286 14.661,287 14.661,288 14.661,289 14.661,290 10.274,291 15.341,292 4.724,293 15.209,294 3.483,295 1.256,296 0.741,297 0.322,298 0.322,299 0.322,300 4.047,304 1,305 1,306 649,307 4.301,310 66.964,311 181.535,314 123.833,318 1.541,319 48.093,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 63,331 309,332 4.889,333 4.705,334 7.393,335 4.357,336 3.433,337 4.751,338 2.612,339 12.827,340 3.149,341 4.604,342 4.058,343 6.692,344 4.123,345 3.153,346 4.546,347 2.035,348 10.816,349 3.056,350 4.223,351 3.774,352 5.952,353 3.694,354 2.723,355 3.906,356 0.782,357 8.311,358 2.64,359 3.957,360 3.248,361 5.666,362 3.466,363 2.484,364 3.372,366 7.45,367 2.439,368 3.745,369 2.712,370 5.494,371 3.238,372 2.248,373 3.204,375 6.735,376 2.224,377 3.686,378 2.522,379 5.216,380 3.13,381 2.162,382 3.035,384 6.432,385 2.084,386 3.035,387 2.252,388 4.501,389 2.488,390 1.518,391 2.234,393 4.241,394 1.469,395 3.024,396 1.906,397 4.2,398 2.237,399 1.24,400 2.015,402 3.322,403 1.236,404 2.915,405 1.669,406 3.908,407 2.19,408 1.211,409 1.765,411 2.984,412 1.182,413 2.668,414 1.384,415 3.787,416 2.098,417 1.133,418 1.702,420 2.853,421 1.09,422 2.605,423 1.188,424 3.324,425 1.713,426 0.737,427 1.169,428 1.673,429 0.718,430 2.084,431 1,432 3.186,433 1.423,434 0.458,435 0.71,436 0.899,437 0.44,438 1.521,439 0.767,440 2.795,441 1.221,442 0.253,443 0.336,445 0.47,446 0.245,447 1.251,448 0.592,449 2.739,450 0.881,451 -0.1,452 -0.128,454 -0.232,455 -0.098,456 1,457 0.384,458 2.347,459 0.324,460 -0.643,461 -0.975,463 -1.399,464 -0.621,465 13.067,466 0.467,467 0.948,468 0.034,469 42,470 1.5,471 24.5,472 0.875,473 17.5,474 0.625,475 19.646,476 0.702,477 29.533,478 0.703,479 34.133,480 1.219,481 8.214,482 0.293,483 5.011,484 0.179,485 0.209,486 0.064,487 0.329,493 0.354,494 1.094,495 0.734,496 1.158,497 0.566,498 0.87,499 0.532,500 1.147,501 0.729,502 0.951,503 0.45,504 0.815,505 0.887,506 1.206,507 0.985,508 1.077,509 0.712,510 1.049,511 1.159,512 1.296,513 1.356,514 1.369,515 1.076,516 1.235,517 1.282,518 0.886,519 1.299,520 1.071,521 1.277,522 0.923,523 1.212,524 0.836,525 1.051,526 0.828,527 1.122,528 0.858,529 1.154,530 0.827,531 1.12,532 0.894,533 1.33,534 1.063,535 0.749,536 1.027,537 0.979,538 1.122,539 0.828,540 1.165,541 7.5,542 0.153,543 4.667,544 2.569,545 1.969,546 1.403,547 0.651,548 0.41,549 0.344,550 0.255,551 9199,552 35827,553 1.964,554 33.3,555 3,556 5,557 1,558 1,559 1,560 3,564 1.711,565 1.778,566 3.435,567 -0.182,568 1,569 1,573 80.178,574 1.909,575 4.136,576 4.651,577 5.071,578 5.071,579 5.071,580 2.867,581 4.352,582 4.783,583 3.592,584 1357.74,585 8.315,586 17926.5,588 1,590 1,591 226.477,592 1.728,593 4.694,594 0.25,595 0.007,596 0.106,597 0.056,598 0.047,599 0.038,600 0.019,601 0.014,602 0.013,603 0.009,604 0.558,605 0.33,606 0.88,607 0.944,608 140.556,609 0.258,610 0.094,611 0.203,612 -0.038,613 -0.058,614 0.01,615 0.241,616 -0.081,617 0.136,618 0.053,619 0.247,620 0.108,621 -0.102,622 -0.136,623 -0.095,624 -0.081,625 -0.003,626 -0.134,627 -0.215,628 -0.272,629 -0.236,630 -0.276,631 -0.149,632 -0.264,633 -0.152,634 0.084,635 -0.032,636 0.021,637 -0.194,638 0.1,639 0.112,640 0.124,641 -0.007,642 0.121,643 0.215,644 0.058,645 -0.01,646 0.117,647 -0.16,648 0.067,649 -0.147,650 -0.108,651 -0.021,652 -0.076,653 -0.036,654 -0.103,655 -0.065,656 -0.108,657 5.037,658 5.561,659 0.536,660 23.571,661 1.036,662 1.129,663 1.916,664 3.673,665 0.703,666 3.434,667 3.807,668 4.06,669 4.277,670 4.477,671 4.543,672 4.511,673 4.522,674 4.477,675 4.489,676 6.579,677 0.697,678 398.44,679 3.434,680 5.004,681 5.861,682 6.758,683 7.637,684 8.536,685 9.421,686 10.321,687 11.208,688 12.108,689 14.3,691 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 42,733 22,734 1,735 30,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 2,760 1,761 14,762 2,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 14,782 8,783 1,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 28,852 1,855 1,861 1,866 1,868 1,870 9.5,873 2,876 2,877 15.75,878 8.417,879 6.097,880 2.268,881 3.999,882 1.552,883 0.976,884 5.151,885 11.247,886 3.829,887 4.508,888 5.081,889 5.665,890 6.2,891 6.603,892 6.909,893 7.178,894 7.298,895 7.602,896 1,897 46,898 10.628,900 4.94,901 8.342,902 18.585,904 15.043,905 2.842,906 79.583,909 1,910 153.024,911 124.301,912 87.502,914 95.06,916 5.807,917 118.493,918 248.084,919 87.502,920 23.32,922 78.519,923 92.106,924 71.798,925 13.915,926 129.482,927 50.747,928 153.024,929 205.995,930 95.06,931 5.807,933 153.024,934 44.313,935 50.747,937 91.867,938 91.795,939 28.14,941 153.024,942 182.562,943 124.301,945 5.807,946 153.024,947 18.765,948 89.96,949 32.884,950 159.445,951 153.024,952 182.562,953 124.301,955 0.598,956 0.352,957 0.175,958 0.097,959 21,960 11,961 0.114,962 5,963 1,964 1.133,965 3.794,966 240.399,967 0.133,968 15,969 128.606,973 1,974 19.5,975 7.397,976 3.893,977 0.589,978 175.728,979 9.901,980 4.137,984 0.745,986 16.282,987 459.887,988 45,990 -0.668,991 -4.121,993 46.963,996 3.909,997 0.316,999 43.531,1000 47.408,1001 0.354,1002 0.767,1003 0.863,1004 0.94,1005 0.94,1006 0.94,1007 5.088,1008 1.24,1009 5.911,1010 4.241,1011 4.489,1012 5.196,1013 3.077,1014 6.795,1015 4.414,1016 6.378,1017 1.211,1018 7.534,1019 3.322,1020 4.369,1021 5.38,1022 2.361,1023 8.046,1024 4.223,1025 7.755,1026 1.133,1027 9.267,1028 2.984,1029 6.209,1030 7.598,1031 4.593,1032 11.083,1033 6.033,1034 9.172,1035 0.737,1036 11.065,1037 2.853,1038 6.868,1039 8.568,1040 4.506,1041 13.137,1042 6.601,1043 10.619,1044 0.458,1045 12.906,1046 1.673,1047 8.262,1048 10.328,1049 6.264,1050 15.795,1051 7.957,1052 12.088,1053 0.253,1054 14.777,1055 0.899,1056 9.238,1057 11.62,1058 6.556,1059 18.147,1060 8.838,1061 13.576,1062 -0.1,1063 16.67,1064 0.47,1065 10.491,1066 13.228,1067 8.011,1068 20.707,1069 10.038,1070 3.433,1071 -0.643,1072 18.581,1073 -0.232,1074 11.599,1075 14.658,1076 8.548,1077 23.171,1078 11.055,1079 3.153,1080 12.827,1081 20.506,1082 -1.399,1083 12.811,1084 16.215,1085 9.813,1086 25.707,1087 12.201,1088 2.723,1089 10.816,1090 22.443,1091 4.751,1092 13.975,1093 17.704,1094 10.509,1095 28.215,1096 13.278,1097 2.484,1098 8.311,1099 24.39,1100 4.546,1101 15.179,1102 19.246,1103 11.655,1104 30.749,1105 14.408,1106 2.248,1107 7.45,1108 26.344,1109 3.906,1110 16.369,1111 20.762,1112 12.452,1113 33.276,1114 15.512,1115 2.162,1116 6.735,1117 28.305,1118 3.372,1119 17.576,1120 22.301,1121 13.525,1122 35.813,1123 16.639,1124 1.518,1125 6.432,1126 30.271,1127 3.204,1128 18.779,1129 23.83,1130 14.386,1131 38.349,1132 17.758,1133 9098,1134 18140,1135 18.898,1136 29.546,1137 46.912,1138 50.156,1139 48.239,1140 45.535,1141 45.505,1142 65.488,1143 10.859,1144 138.024,1145 43.939,1146 5.68,1147 6.705,1148 6.943,1149 5.419,1150 5.433,1151 7.751,1152 4.647,1153 20.478,1154 5.149,1155 17.915,1156 1.564,1157 1.672,1158 1.608,1159 1.518,1160 1.517,1161 2.183,1162 0.362,1163 4.601,1164 1.465,1165 4.145,1166 4.18,1167 4.736,1168 4.08,1169 7.815,1170 4.03,1171 4.078,1172 4.08,1173 4.093,1174 3.975,1175 7.717,1176 3.973,1177 3.774,1178 3.77,1179 3.88,1180 3.6,1181 6.999,1182 3.554,1183 3.558,1184 3.594,1185 3.512,1186 3.439,1187 6.999,1188 3.432,1189 3.451,1190 3.48,1191 3.431,1192 3.148,1193 6.82,1194 3.192,1195 3.306,1196 3.369,1197 3.254,1198 3.088,1199 5.067,1200 3.106,1201 3.007,1202 3.087,1203 2.869,1204 2.828,1205 4.656,1206 2.826,1207 2.982,1208 3.052,1209 2.8,1210 2.679,1211 4.594,1212 2.719,1213 0.163,1214 0.157,1215 0.246,1216 0.145,1217 0.114,1218 4.889,1219 0.158,1220 4.705,1221 0.087,1222 7.393,1223 0.428,1224 4.357,1225 0.105,1226 3.433,1227 4.751,1228 2.612,1229 12.827,1230 3.149,1231 1.99,1232 1.993,1233 2.02,1234 2.108,1235 1.224,1236 2.105,1237 1.925,1238 1.893,1239 1.995,1240 2.061,1241 1.121,1242 2.041,1243 1.619,1244 1.588,1245 1.762,1246 1.846,1247 0.822,1248 1.823,1249 1.449,1250 1.469,1251 1.565,1252 1.728,1253 0.62,1254 1.686,1255 1.299,1256 1.251,1257 1.418,1258 1.552,1259 0.572,1260 1.576,1261 1.186,1262 1.111,1263 1.204,1264 1.444,1265 0.464,1266 1.432,1267 1.08,1268 1.017,1269 1.153,1270 1.278,1271 0.108,1272 1.271,1273 0.907,1274 0.84,1275 1.125,1276 1.27,1277 0.091,1278 1.265,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.727,1285 8.641,1286 6.843,1287 10.315,1289 3.114,1296 2.099,1303 9.038,1304 2.026,1305 29.282,1306 80.178,1307 173.706,1308 195.358,1309 212.968,1310 212.968,1311 212.968,1312 76.981,1313 7.248,1314 145.44,1315 153.82,1316 17,1317 12.633,1318 4.524,1319 4,1320 49.747,1321 113,1322 105,1323 0.219,1324 187.34,1325 323.51,1326 448.87,1327 13543,1329 20.474,1330 0.731,1331 0.558,1332 20.724,1333 15.635,1334 13.224,1335 0.441,1336 0.313,1337 7.901,1338 11.774,1339 7.543,1340 6.308,1341 14.045,1342 9.4,1343 12.658,1344 0.288,1345 0.171,1346 13.963,1347 7.543,1348 10.313,1349 0.181,1350 0.095,1351 11.41,1352 5.397,1353 7.988,1354 0.113,1355 0.052,1356 9.043,1357 3.682,1358 6.318,1359 0.073,1360 0.027,1361 7.258,1362 2.364,1363 0.344,1364 92.72,1365 0.23,1366 26.636,1367 0.599,1368 148,1369 564.361,1370 203.858,1371 566.433,1372 747.79,1373 514,1374 175,1375 525.241,1376 239.68,1377 561.707,1378 804.41,1379 521,1380 8.155}
{0 CHEMBL1928548,1 1.879,2 11,3 3.232,4 10.444,5 107.465,6 9.166,7 0.516,8 3.934,9 4.029,10 3.809,11 3.503,12 5.211,13 3.488,14 4.428,15 4.56,16 4.098,17 3.863,18 5.934,19 3.851,20 4.629,21 4.784,22 4.19,23 3.998,24 6.008,25 3.969,26 4.735,27 4.894,28 4.191,29 3.987,30 6.118,31 3.954,32 4.77,33 4.964,34 4.17,35 3.896,36 6.106,37 3.864,38 4.7,39 4.882,40 4.103,41 3.808,42 6.401,43 3.799,44 4.578,45 4.743,46 3.861,47 3.763,48 6.073,49 3.718,50 4.423,51 4.602,52 3.754,53 3.769,54 5.664,55 3.686,56 0.238,57 0.747,58 8.388,59 4.024,60 23.386,61 4.094,62 0.53,63 1.115,64 14.659,65 6.414,66 91.706,67 7.18,68 0.537,69 1.329,70 18.532,71 7.924,72 64.853,73 8.555,74 0.677,75 1.428,76 24.609,77 8.772,78 101.418,79 8.666,80 0.944,81 1.381,82 30.054,83 8.936,84 139.79,85 8.955,86 1.141,87 1.252,88 28.333,89 7.737,90 191.663,91 8.001,92 0.916,93 1.065,94 20.487,95 7.427,96 148.117,97 7.585,98 0.376,99 1.02,100 15.752,101 7.328,102 63.05,103 8.565,104 59,105 45,106 0.316,107 0.701,108 0.821,109 0.864,110 0.864,111 0.864,112 3.408,113 0.964,114 -3.38,115 -3.37,116 -3.22,119 40,120 2,121 1,142 5,143 3,144 2,145 1,151 1,152 1,157 1,158 1,166 3,168 1,172 6,174 2,175 9,178 2,183 7,186 2,187 15,192 4,195 5,198 2,199 13,204 3,207 2,211 3,212 15,215 3,217 2,220 2,223 6,224 6,227 2,229 1,232 6,236 7,237 3,242 1,245 7,250 9,253 1,258 6,263 11,271 5,275 1286,276 19.057,277 19.057,278 19.057,279 19.057,280 19.057,281 16.271,282 17.673,283 10.793,284 19.384,285 15.098,286 15.098,287 15.098,288 15.098,289 15.098,290 10.698,291 16.619,292 4.878,293 15.647,294 3.613,295 1.317,296 0.603,297 0.345,298 0.345,299 0.345,300 4.081,304 1,305 1,306 668,307 4.416,310 69.746,311 189.739,314 129.028,318 1.517,319 49.188,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 65,331 319,332 4.889,333 4.705,334 7.394,335 4.357,336 3.433,337 4.751,338 2.612,339 12.827,340 3.151,341 4.609,342 4.058,343 6.716,344 4.134,345 3.163,346 4.548,347 2.035,348 10.931,349 3.067,350 4.223,351 3.774,352 5.953,353 3.695,354 2.724,355 3.906,356 0.782,357 8.313,358 2.641,359 3.975,360 3.282,361 5.757,362 3.501,363 2.522,364 3.391,366 7.783,367 2.469,368 3.757,369 2.759,370 5.495,371 3.239,372 2.25,373 3.204,375 6.736,376 2.224,377 3.701,378 2.525,379 5.223,380 3.161,381 2.188,382 3.059,384 6.483,385 2.12,386 3.057,387 2.261,388 4.601,389 2.535,390 1.562,391 2.267,393 4.456,394 1.516,395 3.024,396 1.906,397 4.202,398 2.237,399 1.24,400 2.015,402 3.323,403 1.236,404 2.915,405 1.681,406 3.973,407 2.191,408 1.211,409 1.769,411 3.05,412 1.183,413 2.669,414 1.415,415 3.79,416 2.125,417 1.158,418 1.711,420 2.865,421 1.116,422 2.61,423 1.197,424 3.354,425 1.72,426 0.741,427 1.172,428 1.678,429 0.723,430 2.085,431 1,432 3.231,433 1.684,434 0.697,435 0.793,436 1.32,437 0.687,438 1.839,439 0.929,440 2.804,441 1.321,442 0.379,443 0.648,445 0.593,446 0.356,447 1.252,448 0.698,449 2.784,450 0.917,451 -0.06,452 -0.073,454 -0.118,455 -0.058,456 1.146,457 0.492,458 2.476,459 0.839,460 -0.149,461 -0.187,463 -0.298,464 -0.148,465 13.567,466 0.468,467 0.91,468 0.031,469 42.5,470 1.466,471 24.5,472 0.845,473 18,474 0.621,475 21.62,476 0.746,477 30.833,478 0.685,479 35.02,480 1.208,481 8.159,482 0.281,483 5.603,484 0.193,485 0.201,486 0.061,487 0.317,493 0.35,494 1.112,495 0.74,496 1.167,497 0.557,498 0.895,499 0.518,500 1.162,501 0.738,502 0.977,503 0.442,504 0.856,505 0.831,506 1.179,507 0.899,508 1.022,509 0.673,510 0.967,511 1.18,512 1.298,513 1.323,514 1.324,515 1.076,516 1.179,517 1.261,518 0.962,519 1.234,520 1.069,521 1.254,522 0.961,523 1.128,524 0.849,525 1.247,526 0.988,527 0.954,528 0.878,529 1.335,530 0.777,531 1.14,532 0.845,533 1.515,534 1.05,535 0.642,536 1.097,537 0.949,538 1.18,539 0.711,540 1.242,541 7.5,542 0.153,543 4.667,544 2.569,545 1.969,546 1.594,547 0.671,548 0.5,549 0.357,550 0.311,551 9838,552 37128,553 1.965,554 35.6,555 6,556 5,557 1,558 1,559 1,560 2,564 1.722,565 1.785,566 3.43,567 -0.2,568 1,569 1,573 84.565,574 1.879,575 4.175,576 4.889,577 5.147,578 5.147,579 5.147,580 2.85,581 4.582,582 4.833,583 3.585,584 1455.69,585 8.427,586 19593.6,588 1,590 1,591 247.133,592 1.713,593 4.748,594 0.242,595 0.006,596 0.104,597 0.054,598 0.044,599 0.039,600 0.017,601 0.015,602 0.012,603 0.01,604 0.542,605 0.33,606 0.88,607 1.001,608 146.74,609 0.262,610 0.089,611 0.202,612 -0.035,613 -0.05,614 0.009,615 0.251,616 -0.091,617 0.135,618 0.036,619 0.248,620 0.085,621 -0.046,622 -0.125,623 0.023,624 -0.015,625 0.03,626 -0.011,627 -0.223,628 -0.243,629 -0.227,630 -0.246,631 -0.146,632 -0.234,633 -0.147,634 0.042,635 -0.04,636 -0.007,637 -0.202,638 0.011,639 0.109,640 0.148,641 -0.071,642 0.054,643 0.258,644 0.067,645 -0.105,646 0.14,647 -0.2,648 0.104,649 -0.219,650 -0.096,651 0.017,652 -0.141,653 -0.062,654 -0.17,655 -0.026,656 -0.187,657 5.047,658 5.677,659 0.517,660 24.633,661 1.031,662 1.129,663 2.154,664 4.64,665 0.696,666 3.466,667 3.829,668 4.094,669 4.317,670 4.522,671 4.615,672 4.595,673 4.605,674 4.564,675 4.595,676 6.57,677 0.685,678 412.47,679 3.466,680 5.03,681 5.889,682 6.786,683 7.666,684 8.567,685 9.453,686 10.355,687 11.244,688 12.146,689 13.3,691 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 45,733 22,734 1,735 31,737 47,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,758 1,760 1,761 14,762 3,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 16,782 8,783 1,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 29,852 1,854 1,855 1,861 1,866 1,868 1,870 8.9,873 2,876 2,877 16.25,878 8.917,879 6.431,880 2.643,881 3.962,882 1.543,883 0.972,884 5.65,885 11.255,886 3.85,887 4.519,888 5.099,889 5.682,890 6.218,891 6.634,892 6.943,893 7.218,894 7.345,895 7.667,896 1,897 48,898 11.021,900 5.096,901 8.296,902 19.401,904 15.705,905 2.796,906 81.083,909 1,910 176.567,911 126.835,912 87.502,914 95.06,916 5.807,917 121.028,918 271.626,919 87.502,920 23.32,921 2.535,922 78.519,923 92.106,924 71.798,925 13.915,926 153.024,927 50.747,928 176.567,929 208.53,930 95.06,931 5.807,933 176.567,934 44.313,935 50.747,937 94.401,938 91.795,939 28.14,941 176.567,942 182.562,943 126.835,945 5.807,946 176.567,947 21.3,948 89.96,949 32.884,950 159.445,951 176.567,952 182.562,953 126.835,955 0.592,956 0.354,957 0.18,958 0.099,959 21,960 11,961 0.128,962 6,963 1,964 1.133,965 3.846,966 253.605,967 0.133,968 15,969 136.881,973 1,974 20.474,975 8.003,976 4.118,977 0.607,978 175.728,979 10,980 4.185,984 0.802,986 16.282,987 485.964,988 46,990 -0.662,991 -4.131,993 47.288,996 4.027,997 0.404,999 46.414,1000 50.823,1001 0.342,1002 0.76,1003 0.89,1004 0.937,1005 0.937,1006 0.937,1007 5.106,1008 1.24,1009 5.932,1010 4.456,1011 4.511,1012 5.207,1013 3.077,1014 6.817,1015 4.438,1016 6.39,1017 1.211,1018 7.554,1019 3.323,1020 4.369,1021 5.38,1022 2.361,1023 8.069,1024 4.223,1025 7.765,1026 1.158,1027 9.286,1028 3.05,1029 6.229,1030 7.605,1031 4.593,1032 11.108,1033 6.055,1034 9.181,1035 0.741,1036 11.084,1037 2.865,1038 6.878,1039 8.572,1040 4.506,1041 13.162,1042 6.614,1043 10.627,1044 0.697,1045 12.924,1046 1.678,1047 8.28,1048 10.333,1049 6.264,1050 15.819,1051 7.979,1052 12.097,1053 0.379,1054 14.795,1055 1.32,1056 9.251,1057 11.624,1058 6.556,1059 18.17,1060 8.856,1061 13.584,1062 -0.06,1063 16.688,1064 0.593,1065 10.507,1066 13.232,1067 8.011,1068 20.728,1069 10.06,1070 3.433,1071 -0.149,1072 18.599,1073 -0.118,1074 11.613,1075 14.661,1076 8.548,1077 23.191,1078 11.075,1079 3.163,1080 12.827,1081 20.523,1082 -0.298,1083 12.826,1084 16.218,1085 9.813,1086 25.726,1087 12.224,1088 2.724,1089 10.931,1090 22.46,1091 4.751,1092 13.989,1093 17.707,1094 10.509,1095 28.233,1096 13.3,1097 2.522,1098 8.313,1099 24.405,1100 4.548,1101 15.193,1102 19.249,1103 11.655,1104 30.766,1105 14.432,1106 2.25,1107 7.783,1108 26.359,1109 3.906,1110 16.383,1111 20.765,1112 12.452,1113 33.291,1114 15.537,1115 2.188,1116 6.736,1117 28.319,1118 3.391,1119 17.589,1120 22.303,1121 13.525,1122 35.827,1123 16.666,1124 1.562,1125 6.483,1126 30.284,1127 3.204,1128 18.792,1129 23.832,1130 14.386,1131 38.361,1132 17.785,1133 9763,1134 19164,1135 19.592,1136 31.307,1137 48.125,1138 51.466,1139 49.7,1140 46.555,1141 46.537,1142 66.469,1143 10.859,1144 140.713,1145 44.98,1146 5.68,1147 6.705,1148 6.943,1149 5.42,1150 5.433,1151 7.751,1152 4.647,1153 20.478,1154 5.151,1155 18.414,1156 1.552,1157 1.66,1158 1.603,1159 1.502,1160 1.501,1161 2.144,1162 0.35,1163 4.539,1164 1.451,1165 4.147,1166 4.182,1167 4.737,1168 4.081,1169 7.815,1170 4.032,1171 4.078,1172 4.08,1173 4.094,1174 3.977,1175 7.717,1176 3.973,1177 3.777,1178 3.778,1179 3.88,1180 3.604,1181 6.999,1182 3.566,1183 3.602,1184 3.638,1185 3.54,1186 3.482,1187 6.999,1188 3.459,1189 3.453,1190 3.481,1191 3.431,1192 3.226,1193 6.82,1194 3.234,1195 3.398,1196 3.461,1197 3.318,1198 3.146,1199 5.065,1200 3.185,1201 3.061,1202 3.132,1203 2.941,1204 2.879,1205 4.654,1206 2.89,1207 3.007,1208 3.086,1209 2.8,1210 2.679,1211 4.583,1212 2.719,1213 0.158,1214 0.152,1215 0.239,1216 0.141,1217 0.111,1218 4.889,1219 0.153,1220 4.705,1221 0.084,1222 7.394,1223 0.414,1224 4.357,1225 0.102,1226 3.433,1227 4.751,1228 2.612,1229 12.827,1230 3.151,1231 1.99,1232 1.993,1233 2.02,1234 2.108,1235 1.225,1236 2.105,1237 1.926,1238 1.895,1239 2,1240 2.062,1241 1.154,1242 2.042,1243 1.666,1244 1.621,1245 1.861,1246 1.869,1247 1.004,1248 1.861,1249 1.465,1250 1.491,1251 1.565,1252 1.754,1253 0.627,1254 1.72,1255 1.313,1256 1.251,1257 1.52,1258 1.574,1259 0.599,1260 1.592,1261 1.299,1262 1.242,1263 1.241,1264 1.521,1265 0.554,1266 1.52,1267 1.134,1268 1.076,1269 1.163,1270 1.351,1271 0.188,1272 1.317,1273 0.907,1274 0.84,1275 1.126,1276 1.271,1277 0.103,1278 1.27,1279 4.143,1281 5.493,1282 2.398,1283 7.036,1284 4.727,1285 8.665,1286 6.843,1287 10.34,1289 3.334,1295 0.384,1296 2.15,1303 9.095,1304 2.044,1305 30.809,1306 84.565,1307 187.872,1308 220.014,1309 231.624,1310 231.624,1311 231.624,1312 82.7,1313 7.292,1314 145.44,1315 153.82,1316 17,1317 12.669,1318 4.524,1319 4,1320 52.401,1321 116,1322 110,1323 0.223,1324 196.933,1325 340.81,1326 472.276,1327 14042,1329 21.181,1330 0.73,1331 0.564,1332 21.431,1333 16.342,1334 13.762,1335 0.444,1336 0.321,1337 8.462,1338 12.316,1339 8.108,1340 6.784,1341 14.584,1342 9.961,1343 12.849,1344 0.286,1345 0.172,1346 14.154,1347 7.758,1348 10.627,1349 0.18,1350 0.095,1351 11.724,1352 5.62,1353 8.332,1354 0.113,1355 0.052,1356 9.365,1357 3.855,1358 6.506,1359 0.071,1360 0.028,1361 7.443,1362 2.508,1363 0.349,1364 95.948,1365 0.226,1366 27.318,1367 0.618,1368 152,1369 568.361,1370 207.858,1371 570.236,1372 754.53,1373 518,1374 180,1375 531.241,1376 244.846,1377 566.953,1378 814.25,1379 527,1380 8}
{0 CHEMBL1928549,1 1.85,2 11,3 3.688,4 13.601,5 112.066,6 8.885,7 0.5,8 3.989,9 4.088,10 3.834,11 3.555,12 5.239,13 3.533,14 4.493,15 4.633,16 4.12,17 3.917,18 5.958,19 3.895,20 4.707,21 4.877,22 4.21,23 4.054,24 6.037,25 4.012,26 4.805,27 4.979,28 4.224,29 4.042,30 6.146,31 4.001,32 4.822,33 5.015,34 4.222,35 3.964,36 6.14,37 3.933,38 4.781,39 4.958,40 4.204,41 3.931,42 6.431,43 3.911,44 4.749,45 4.931,46 3.995,47 3.933,48 6.173,49 3.87,50 4.628,51 4.809,52 3.869,53 3.931,54 5.863,55 3.844,56 0.238,57 0.785,58 9.547,59 4.358,60 22.27,61 4.667,62 0.524,63 1.179,64 16.608,65 7.007,66 91.981,67 8.206,68 0.534,69 1.41,70 21.923,71 8.788,72 64.275,73 10.129,74 0.669,75 1.508,76 28.416,77 9.572,78 98.739,79 10.329,80 0.933,81 1.466,82 31.669,83 9.16,84 134.091,85 9.584,86 1.133,87 1.388,88 28.98,89 8.25,90 190.436,91 8.927,92 0.97,93 1.286,94 28.678,95 9.251,96 144.27,97 9.933,98 0.521,99 1.197,100 20.852,101 8.926,102 96.17,103 10.395,104 60,105 46,106 0.307,107 0.69,108 0.827,109 0.867,110 0.867,111 0.867,112 3.441,113 0.981,114 -3.62,115 -3.59,116 -3.42,119 39.6,120 2,121 2,142 5,143 3,144 2,145 1,151 1,152 1,157 1,158 1,166 3,168 1,172 7,174 2,175 9,178 2,183 8,186 2,187 15,192 4,195 5,198 2,199 14,204 3,207 3,211 3,212 15,215 3,217 3,220 2,223 6,224 8,227 2,229 1,232 7,236 7,237 5,242 1,245 8,250 9,253 1,258 9,263 12,271 7,275 1446,276 19.764,277 19.764,278 19.764,279 19.764,280 19.764,281 16.978,282 17.673,283 11.402,284 20.091,285 15.636,286 15.636,287 15.636,288 15.636,289 15.636,290 11.258,291 16.619,292 5.182,293 16.182,294 3.735,295 1.427,296 0.607,297 0.365,298 0.365,299 0.365,300 4.115,304 1,305 1,306 689,307 4.528,310 72.725,311 198.281,314 134.563,318 1.467,319 50.001,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 67,331 330,332 4.889,333 4.705,334 7.394,335 4.357,336 3.433,337 4.751,338 2.612,339 12.827,340 3.151,341 4.61,342 4.058,343 6.717,344 4.136,345 3.165,346 4.548,347 2.035,348 10.941,349 3.068,350 4.223,351 3.774,352 5.953,353 3.695,354 2.724,355 3.906,356 0.782,357 8.314,358 2.641,359 3.978,360 3.286,361 5.765,362 3.509,363 2.53,364 3.393,366 7.834,367 2.476,368 3.76,369 2.766,370 5.495,371 3.24,372 2.251,373 3.204,375 6.736,376 2.224,377 3.703,378 2.525,379 5.223,380 3.169,381 2.194,382 3.062,384 6.491,385 2.131,386 3.065,387 2.263,388 4.619,389 2.572,390 1.595,391 2.275,393 4.54,394 1.555,395 3.024,396 1.906,397 4.203,398 2.238,399 1.242,400 2.015,402 3.323,403 1.237,404 2.916,405 1.69,406 3.992,407 2.206,408 1.221,409 1.772,411 3.104,412 1.2,413 2.669,414 1.455,415 3.79,416 2.184,417 1.211,418 1.715,420 2.871,421 1.175,422 2.613,423 1.233,424 3.392,425 2.011,426 1.035,427 1.21,428 1.991,429 1.008,430 2.229,431 1.147,432 3.262,433 1.713,434 0.737,435 1.144,436 1.665,437 0.717,438 2.082,439 1,440 2.984,441 1.388,442 0.432,443 0.7,445 0.742,446 0.411,447 1.441,448 0.736,449 2.794,450 1.196,451 0.219,452 0.273,454 0.401,455 0.214,456 1.251,457 0.548,458 2.707,459 0.882,460 -0.1,461 -0.127,463 -0.229,464 -0.097,465 14.067,466 0.469,467 0.91,468 0.03,469 43,470 1.433,471 24.5,472 0.817,473 18.5,474 0.617,475 23.569,476 0.786,477 32.133,478 0.669,479 35.792,480 1.193,481 8.159,482 0.272,483 6.103,484 0.203,485 0.194,486 0.059,487 0.306,493 0.347,494 1.13,495 0.749,496 1.176,497 0.549,498 0.919,499 0.506,500 1.175,501 0.747,502 1.001,503 0.432,504 0.891,505 0.795,506 1.159,507 0.872,508 1.01,509 0.65,510 0.956,511 1.126,512 1.272,513 1.227,514 1.26,515 1.035,516 1.098,517 1.284,518 0.975,519 1.214,520 1.043,521 1.256,522 0.933,523 1.115,524 0.929,525 1.191,526 0.993,527 0.944,528 0.923,529 1.248,530 0.801,531 1.31,532 0.991,533 1.31,534 1.032,535 0.899,536 1.01,537 1.001,538 1.085,539 0.988,540 1.193,541 7.5,542 0.198,543 4.667,544 2.569,545 1.969,546 1.594,547 0.808,548 0.516,549 0.426,550 0.321,551 10601,552 38661,553 1.966,554 37.5,555 8,556 5,557 1,558 1,559 1,560 2,564 1.732,565 1.791,566 3.429,567 -0.217,569 1,573 88.799,574 1.85,575 4.158,576 4.978,577 5.22,578 5.22,579 5.22,580 2.836,581 4.615,582 4.881,583 3.586,584 1559.71,585 8.535,586 21534.8,588 1,590 1,591 268.078,592 1.697,593 4.8,594 0.234,595 0.007,596 0.101,597 0.052,598 0.042,599 0.036,600 0.018,601 0.014,602 0.012,603 0.009,604 0.527,605 0.33,606 0.88,607 1.149,608 153.222,609 0.265,610 0.084,611 0.201,612 -0.033,613 -0.042,614 0.008,615 0.257,616 -0.099,617 0.132,618 0.02,619 0.253,620 0.066,621 -0.016,622 -0.115,623 0.063,624 0.003,625 0.046,626 0.021,627 -0.169,628 -0.228,629 -0.123,630 -0.183,631 -0.111,632 -0.133,633 -0.152,634 0.057,635 -0.048,636 0.001,637 -0.199,638 0.009,639 0.107,640 0.102,641 -0.067,642 0.028,643 0.235,644 -0.007,645 -0.088,646 0.163,647 -0.23,648 0.048,649 -0.126,650 -0.057,651 -0.094,652 -0.074,653 -0.124,654 -0.09,655 -0.125,656 -0.158,657 5.056,658 5.765,659 0.5,660 26.147,661 1.027,662 1.13,663 2.386,664 5.695,665 0.689,666 3.497,667 3.85,668 4.111,669 4.344,670 4.554,671 4.654,672 4.663,673 4.682,674 4.644,675 4.673,676 6.619,677 0.674,678 426.5,679 3.497,680 5.056,681 5.911,682 6.806,683 7.685,684 8.585,685 9.471,686 10.373,687 11.262,688 12.165,689 12.5,691 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 48,733 22,734 1,735 32,737 50,738 19,739 13,740 3,741 3,742 1,746 3,747 4,752 2,758 2,760 1,761 14,762 4,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 18,782 8,783 1,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 30,852 1,854 2,855 1,861 1,866 1,868 1,870 8.3,873 2,876 2,877 16.75,878 9.417,879 6.681,880 2.893,881 3.926,882 1.535,883 0.968,884 6.166,885 11.262,886 3.871,887 4.53,888 5.105,889 5.692,890 6.228,891 6.646,892 6.965,893 7.243,894 7.378,895 7.7,896 1,897 49,898 11.41,900 5.249,901 8.253,902 20.218,904 16.372,905 2.753,906 82.583,909 1,910 200.109,911 129.37,912 87.502,914 95.06,916 5.807,917 123.562,918 295.169,919 87.502,920 23.32,921 5.069,922 78.519,923 92.106,924 71.798,925 13.915,926 176.567,927 50.747,928 200.109,929 211.064,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 96.936,938 91.795,939 28.14,941 200.109,942 182.562,943 129.37,945 5.807,946 200.109,947 23.834,948 89.96,949 32.884,950 159.445,951 200.109,952 182.562,953 129.37,955 0.586,956 0.347,957 0.18,958 0.102,959 21,960 11,961 0.14,962 7,963 1,964 1.133,965 3.918,966 265.691,967 0.133,968 15,969 143.207,973 1,974 21.449,975 8.625,976 4.513,977 0.618,978 175.728,979 10.071,980 4.219,984 0.837,986 16.282,987 512.04,988 47,990 -0.657,991 -4.139,993 47.542,996 4.098,997 0.439,999 49.298,1000 54.239,1001 0.331,1002 0.745,1003 0.891,1004 0.935,1005 0.935,1006 0.935,1007 5.124,1008 1.242,1009 5.948,1010 4.54,1011 4.533,1012 5.218,1013 3.077,1014 6.828,1015 4.462,1016 6.402,1017 1.221,1018 7.565,1019 3.323,1020 4.369,1021 5.38,1022 2.361,1023 8.069,1024 4.223,1025 7.773,1026 1.211,1027 9.293,1028 3.104,1029 6.24,1030 7.608,1031 4.593,1032 11.113,1033 6.069,1034 9.186,1035 1.035,1036 11.088,1037 2.871,1038 6.878,1039 8.572,1040 4.506,1041 13.164,1042 6.614,1043 10.631,1044 0.737,1045 12.928,1046 1.991,1047 8.286,1048 10.334,1049 6.264,1050 15.822,1051 7.987,1052 12.1,1053 0.432,1054 14.797,1055 1.665,1056 9.253,1057 11.624,1058 6.556,1059 18.172,1060 8.857,1061 13.586,1062 0.219,1063 16.69,1064 0.742,1065 10.511,1066 13.233,1067 8.011,1068 20.731,1069 10.066,1070 3.433,1071 -0.1,1072 18.6,1073 0.401,1074 11.615,1075 14.662,1076 8.548,1077 23.193,1078 11.078,1079 3.165,1080 12.827,1081 20.525,1082 -0.229,1083 12.829,1084 16.219,1085 9.813,1086 25.728,1087 12.228,1088 2.724,1089 10.941,1090 22.461,1091 4.751,1092 13.991,1093 17.707,1094 10.509,1095 28.234,1096 13.304,1097 2.53,1098 8.314,1099 24.407,1100 4.548,1101 15.196,1102 19.249,1103 11.655,1104 30.767,1105 14.436,1106 2.251,1107 7.834,1108 26.36,1109 3.906,1110 16.385,1111 20.765,1112 12.452,1113 33.292,1114 15.541,1115 2.194,1116 6.736,1117 28.32,1118 3.393,1119 17.591,1120 22.303,1121 13.525,1122 35.828,1123 16.67,1124 1.595,1125 6.491,1126 30.285,1127 3.204,1128 18.794,1129 23.833,1130 14.386,1131 38.363,1132 17.789,1133 10547,1134 20360,1135 20.285,1136 33.068,1137 49.332,1138 52.722,1139 50.829,1140 48.017,1141 47.98,1142 67.937,1143 10.859,1144 143.559,1145 46.418,1146 5.686,1147 6.705,1148 7.159,1149 5.42,1150 5.433,1151 7.751,1152 4.647,1153 20.478,1154 5.151,1155 18.905,1156 1.542,1157 1.648,1158 1.588,1159 1.501,1160 1.499,1161 2.123,1162 0.339,1163 4.486,1164 1.451,1165 4.148,1166 4.183,1167 4.737,1168 4.081,1169 7.815,1170 4.033,1171 4.078,1172 4.08,1173 4.095,1174 3.977,1175 7.717,1176 3.973,1177 3.779,1178 3.788,1179 3.88,1180 3.608,1181 6.999,1182 3.579,1183 3.647,1184 3.682,1185 3.562,1186 3.522,1187 6.999,1188 3.483,1189 3.463,1190 3.513,1191 3.431,1192 3.31,1193 6.82,1194 3.313,1195 3.445,1196 3.48,1197 3.367,1198 3.147,1199 5.065,1200 3.189,1201 3.158,1202 3.227,1203 3.064,1204 2.941,1205 4.654,1206 2.962,1207 3.007,1208 3.087,1209 2.829,1210 2.761,1211 4.58,1212 2.757,1213 0.153,1214 0.147,1215 0.231,1216 0.136,1217 0.107,1218 4.889,1219 0.148,1220 4.705,1221 0.082,1222 7.394,1223 0.401,1224 4.357,1225 0.098,1226 3.433,1227 4.751,1228 2.612,1229 12.827,1230 3.151,1231 1.99,1232 1.993,1233 2.021,1234 2.109,1235 1.234,1236 2.105,1237 1.927,1238 1.896,1239 2.006,1240 2.062,1241 1.212,1242 2.043,1243 1.704,1244 1.652,1245 1.921,1246 1.891,1247 1.077,1248 1.898,1249 1.489,1250 1.508,1251 1.598,1252 1.774,1253 0.694,1254 1.747,1255 1.396,1256 1.347,1257 1.565,1258 1.63,1259 0.618,1260 1.619,1261 1.299,1262 1.251,1263 1.335,1264 1.541,1265 0.568,1266 1.555,1267 1.148,1268 1.085,1269 1.194,1270 1.385,1271 0.43,1272 1.357,1273 0.955,1274 0.873,1275 1.151,1276 1.271,1277 0.112,1278 1.27,1279 4.174,1281 5.517,1282 2.398,1283 7.054,1284 4.727,1285 8.678,1286 6.843,1287 10.351,1289 3.463,1295 1.139,1296 2.184,1303 9.141,1304 2.058,1305 32.336,1306 88.799,1307 199.598,1308 238.959,1309 250.568,1310 250.568,1311 250.568,1312 88.172,1313 7.336,1314 145.44,1315 153.82,1316 17,1317 12.688,1318 4.524,1319 4,1320 55.12,1321 120,1322 115,1323 0.225,1324 206.525,1325 358.11,1326 495.681,1327 14605,1329 21.889,1330 0.73,1331 0.568,1332 22.139,1333 17.049,1334 14.262,1335 0.446,1336 0.327,1337 8.962,1338 12.816,1339 8.596,1340 7.212,1341 15.084,1342 10.461,1343 13.229,1344 0.288,1345 0.177,1346 14.534,1347 8.155,1348 10.762,1349 0.179,1350 0.096,1351 11.86,1352 5.772,1353 8.554,1354 0.113,1355 0.053,1356 9.587,1357 4.013,1358 6.749,1359 0.072,1360 0.028,1361 7.671,1362 2.63,1363 0.351,1364 98.948,1365 0.222,1366 28.042,1367 0.627,1368 156,1369 572.361,1370 211.858,1371 574.481,1372 760.33,1373 522,1374 184,1375 535.241,1376 248.846,1377 571.292,1378 820.5,1379 531,1380 7.409}
{0 CHEMBL1928550,1 2.018,2 10.407,3 3.434,4 11.794,5 104.723,6 11.032,7 0.552,8 3.856,9 3.942,10 3.88,11 3.452,12 5.097,13 3.425,14 4.348,15 4.467,16 4.234,17 3.824,18 5.885,19 3.801,20 4.527,21 4.657,22 4.299,23 3.956,24 5.917,25 3.905,26 4.64,27 4.79,28 4.288,29 3.915,30 6.007,31 3.858,32 4.659,33 4.854,34 4.298,35 3.784,36 6.002,37 3.728,38 4.485,39 4.645,40 4.139,41 3.609,42 6.251,43 3.593,44 4.324,45 4.472,46 3.865,47 3.57,48 5.817,49 3.503,50 4.171,51 4.33,52 3.944,53 3.584,54 5.388,55 3.484,56 0.237,57 0.675,58 4.111,59 3.746,60 19.631,61 3.494,62 0.543,63 1.01,64 10.194,65 6.14,66 84.96,67 6.189,68 0.557,69 1.182,70 19.03,71 7.783,72 53.941,73 7.029,74 0.703,75 1.264,76 23.519,77 9.048,78 82.187,79 7.967,80 0.964,81 1.186,82 29.938,83 9.328,84 125.914,85 8.191,86 1.076,87 0.959,88 23.116,89 6.708,90 179.96,91 5.774,92 0.758,93 0.814,94 27.212,95 6.71,96 96.745,97 6.015,98 0.351,99 0.763,100 24.239,101 6.695,102 44.01,103 6.599,104 51,105 43,106 0.348,107 0.701,108 0.792,109 0.866,110 0.866,111 0.866,112 3.34,113 1.025,114 -4.07,115 -4.02,116 -3.8,117 1,119 39,120 2,142 5,143 2,144 3,145 1,151 1,152 1,157 1,166 3,168 1,172 3,174 2,175 8,178 2,183 9,186 2,187 11,192 4,195 3,198 2,199 13,204 2,207 3,211 2,212 12,215 3,217 2,223 5,224 5,227 2,232 6,236 6,237 2,242 2,245 4,250 6,258 4,263 12,271 2,275 1041,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 14.518,282 14.78,283 9.769,284 17.806,285 14.233,286 14.233,287 14.233,288 14.233,289 14.233,290 10.035,291 13.672,292 4.577,293 15.086,294 3.339,295 1.287,296 0.759,297 0.33,298 0.33,299 0.33,300 4.01,304 1,305 1,306 593,307 4.183,310 63.852,311 174.205,314 118.678,318 1.503,319 43.405,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 60.25,331 281,332 4.889,333 4.705,334 7.393,335 4.357,336 3.433,337 4.751,338 2.612,339 12.827,340 3.148,341 4.598,342 3.774,343 6.691,344 4.115,345 3.15,346 4.54,347 0.782,348 10.806,349 3.037,350 4.223,351 3.27,352 5.952,353 3.694,354 2.723,355 3.906,357 8.311,358 2.639,359 3.862,360 2.877,361 5.651,362 3.387,363 2.446,364 3.296,366 7.354,367 2.295,368 3.718,369 2.554,370 5.493,371 3.225,372 2.238,373 3.192,375 6.725,376 2.202,377 3.516,378 2.49,379 4.96,380 2.97,381 2.093,382 2.897,384 5.813,385 1.722,386 3.034,387 1.906,388 4.495,389 2.488,390 1.518,391 2.233,393 4.231,394 1.469,395 2.915,396 1.672,397 4.198,398 2.237,399 1.239,400 2.015,402 3.317,403 1.236,404 2.672,405 1.385,406 3.899,407 2.185,408 1.204,409 1.738,411 2.961,412 1.175,413 2.63,414 1.21,415 3.786,416 2.071,417 1.118,418 1.666,420 2.849,421 1.049,422 2.106,423 1,424 3.318,425 1.634,426 0.674,427 0.927,428 1.605,429 0.629,430 1.527,431 0.794,432 3.17,433 1.32,434 0.337,435 0.39,436 0.79,437 0.322,438 1.251,439 0.622,440 2.752,441 0.881,442 -0.1,443 -0.127,445 -0.231,446 -0.097,447 1,448 0.393,449 2.376,450 0.44,451 -0.373,452 -0.47,454 -0.881,455 -0.209,456 1,457 0.124,458 2.339,459 0.157,460 -0.815,461 -1.132,463 -2,464 -0.775,465 13.5,466 0.5,467 0.986,468 0.037,469 38.25,470 1.417,471 21.5,472 0.796,473 16.75,474 0.62,475 21.956,476 0.813,477 28.5,478 0.695,479 29.37,480 1.088,481 7.3,482 0.27,483 5.386,484 0.199,485 0.272,486 0.062,487 0.319,493 0.355,494 1.095,495 0.525,496 0.976,497 0.587,498 0.824,499 0.541,500 1.17,501 0.589,502 0.817,503 0.456,504 0.769,505 0.926,506 1.2,507 1.026,508 1.045,509 0.738,510 1.045,511 1.141,512 1.32,513 0.85,514 1.242,515 1.078,516 1.198,517 1.273,518 0.908,519 0.784,520 0.957,521 1.336,522 0.882,523 1.225,524 0.806,525 0.874,526 0.823,527 1.181,528 0.86,529 1.197,530 0.807,531 1.303,532 1.043,533 1.401,534 1.114,535 0.726,536 1.121,537 0.646,538 1.001,539 0.731,540 1.128,541 7.5,542 0.153,543 4.667,544 2.569,545 1.929,546 1.341,547 0.554,548 0.41,549 0.344,550 0.215,551 8348,552 33684,553 1.963,554 34.1,555 3,556 5,557 1,558 1,559 1,560 3,564 1.701,565 1.77,566 3.365,567 -0.162,569 1,573 82.747,574 2.018,575 4.07,576 4.599,577 5.028,578 5.028,579 5.028,580 2.713,581 4.385,582 4.731,583 3.532,584 1239.58,585 8.21,586 15911.1,588 1,591 219.66,592 1.74,593 4.637,594 0.259,595 0.008,596 0.109,597 0.058,598 0.048,599 0.038,600 0.017,601 0.015,602 0.013,603 0.008,604 0.573,605 0.33,606 1,607 0.857,608 133.658,609 0.254,610 0.108,611 0.039,612 -0.031,613 -0.085,614 0.01,615 0.231,616 -0.088,617 0.044,618 0.069,619 0.277,620 0.112,621 -0.132,622 -0.121,623 -0.119,624 -0.088,625 -0.005,626 -0.145,627 -0.196,628 -0.281,629 -0.087,630 -0.244,631 -0.129,632 -0.257,633 -0.147,634 0.083,635 0.033,636 0.063,637 -0.192,638 0.119,639 0.103,640 0.162,641 -0.025,642 0.109,643 0.259,644 0.051,645 -0.039,646 0.128,647 -0.195,648 -0.037,649 -0.151,650 -0.15,651 -0.006,652 -0.179,653 0.095,654 -0.052,655 -0.023,656 -0.095,657 4.99,658 5.55,659 0.556,660 21.613,661 1.038,662 1.126,663 2.839,664 8.061,665 0.723,666 3.401,667 3.784,668 4.025,669 4.248,670 4.443,671 4.477,672 4.419,673 4.454,674 4.382,675 4.369,676 6.361,677 0.703,678 452.32,679 3.401,680 4.977,681 5.832,682 6.732,683 7.609,684 8.51,685 9.393,686 10.294,687 11.179,688 12.08,689 12.2,691 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 41,733 21,734 1,735 29,736 1,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 14,762 2,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 14,782 7,783 1,784 11,785 2,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,843 1,844 2,848 27,852 1,855 1,869 1,870 9.8,873 2,876 2,877 15.25,878 8.11,879 5.764,880 2.191,881 3.801,882 1.532,883 0.987,884 5.333,885 10.948,886 3.761,887 4.474,888 5.023,889 5.617,890 6.137,891 6.479,892 6.726,893 7.031,894 7.061,895 7.311,896 0.857,897 44,898 10.267,900 4.76,901 8.235,902 18.147,904 14.762,905 2.735,906 73.833,909 1,910 153.024,911 107.569,912 102.397,914 95.06,916 5.807,917 147.715,918 248.084,919 56.443,920 23.32,922 78.519,923 75.504,924 40.608,925 13.915,926 129.482,927 96.701,928 153.024,929 158.204,930 95.06,931 5.807,932 45.954,933 153.024,934 44.313,935 50.747,937 60.807,938 75.063,939 28.14,940 45.954,941 153.024,942 151.502,943 153.523,945 5.807,946 153.024,947 18.635,948 89.96,949 62.237,950 128.386,951 153.024,952 151.502,953 153.523,955 0.604,956 0.349,957 0.174,958 0.098,959 21,960 11,961 0.116,962 5,963 1,964 1.133,965 3.711,966 229.317,967 0.133,968 15,969 124.382,973 1,974 19.488,975 7.389,976 4.029,977 0.747,978 144.668,979 10.631,980 4.191,984 1.359,986 16.282,987 458.049,988 42,990 -0.649,991 -4.073,993 46.93,996 3.95,997 0.398,999 42.542,1000 46.167,1001 0.377,1002 0.76,1003 0.858,1004 0.938,1005 0.938,1006 0.938,1007 5.017,1008 1.239,1009 5.889,1010 4.231,1011 4.466,1012 5.162,1013 2.597,1014 6.774,1015 4.357,1016 6.31,1017 1.204,1018 7.514,1019 3.317,1020 4.369,1021 5.38,1022 2.361,1023 8.028,1024 4.16,1025 7.692,1026 1.118,1027 9.248,1028 2.961,1029 6.188,1030 7.571,1031 4.166,1032 11.068,1033 5.965,1034 9.114,1035 0.674,1036 11.048,1037 2.849,1038 6.858,1039 8.556,1040 4.506,1041 13.126,1042 6.534,1043 10.567,1044 0.337,1045 12.89,1046 1.605,1047 8.246,1048 10.308,1049 5.949,1050 15.787,1051 7.893,1052 12.042,1053 -0.1,1054 14.762,1055 0.79,1056 9.227,1057 11.607,1058 6.556,1059 18.142,1060 8.778,1061 13.534,1062 -0.373,1063 16.657,1064 -0.231,1065 10.479,1066 13.214,1067 7.794,1068 20.702,1069 9.981,1070 3.433,1071 -0.815,1072 18.57,1073 -0.881,1074 11.59,1075 14.647,1076 8.548,1077 23.168,1078 11.001,1079 3.15,1080 12.827,1081 20.497,1082 -2,1083 12.802,1084 16.204,1085 9.67,1086 25.705,1087 12.15,1088 2.723,1089 10.806,1090 22.436,1091 4.751,1092 13.968,1093 17.695,1094 10.509,1095 28.213,1096 13.229,1097 2.446,1098 8.311,1099 24.383,1100 4.54,1101 15.173,1102 19.237,1103 11.563,1104 30.748,1105 14.361,1106 2.238,1107 7.354,1108 26.339,1109 3.906,1110 16.364,1111 20.754,1112 12.452,1113 33.274,1114 15.466,1115 2.093,1116 6.725,1117 28.3,1118 3.296,1119 17.57,1120 22.292,1121 13.468,1122 35.812,1123 16.594,1124 1.518,1125 5.813,1126 30.267,1127 3.192,1128 18.774,1129 23.822,1130 14.386,1131 38.348,1132 17.712,1133 8229,1134 16707,1135 18.205,1136 29.654,1137 44.622,1138 46.596,1139 46.839,1140 44.604,1141 44.347,1142 63.101,1143 6.79,1144 135.175,1145 41.846,1146 5.68,1147 6.705,1148 6.742,1149 5.419,1150 5.433,1151 7.751,1152 4.612,1153 20.478,1154 5.148,1155 17.376,1156 1.539,1157 1.607,1158 1.615,1159 1.538,1160 1.529,1161 2.176,1162 0.234,1163 4.661,1164 1.443,1165 4.141,1166 4.173,1167 6.88,1168 4.08,1169 7.815,1170 4.027,1171 4.075,1172 4.079,1173 4.736,1174 3.977,1175 7.717,1176 3.97,1177 3.773,1178 3.767,1179 4.05,1180 3.6,1181 6.999,1182 3.549,1183 3.529,1184 3.571,1185 3.88,1186 3.427,1187 6.999,1188 3.397,1189 3.436,1190 3.456,1191 3.442,1192 3.147,1193 5.079,1194 3.188,1195 3.222,1196 3.286,1197 3.385,1198 3.052,1199 4.657,1200 3.041,1201 3.007,1202 3.087,1203 3.013,1204 2.776,1205 4.599,1206 2.754,1207 2.896,1208 2.961,1209 2.8,1210 2.679,1211 4.318,1212 2.719,1213 0.169,1214 0.162,1215 0.255,1216 0.15,1217 0.118,1218 4.889,1219 0.164,1220 4.705,1221 0.09,1222 7.393,1223 0.442,1224 4.357,1225 0.109,1226 3.433,1227 4.751,1228 2.612,1229 12.827,1230 3.148,1231 1.989,1232 1.993,1233 2.019,1234 2.108,1235 1.224,1236 2.105,1237 1.905,1238 1.875,1239 1.955,1240 2.039,1241 1.121,1242 2.022,1243 1.613,1244 1.583,1245 1.753,1246 1.844,1247 0.821,1248 1.821,1249 1.449,1250 1.466,1251 1.565,1252 1.728,1253 0.62,1254 1.686,1255 1.299,1256 1.251,1257 1.417,1258 1.55,1259 0.572,1260 1.576,1261 1.157,1262 1.078,1263 1.2,1264 1.394,1265 0.464,1266 1.411,1267 0.907,1268 0.84,1269 1.129,1270 1.271,1271 0.107,1272 1.271,1273 0.883,1274 0.83,1275 1.05,1276 1.073,1277 0.086,1278 1.079,1279 4.078,1281 5.442,1282 2.398,1283 6.989,1284 4.727,1285 8.619,1286 6.843,1287 10.293,1288 3.381,1289 3.193,1296 2.138,1305 28.813,1306 82.747,1307 166.889,1308 188.54,1309 206.15,1310 206.15,1311 206.15,1312 69.317,1313 7.148,1314 121.65,1315 130.03,1316 17,1317 12.604,1318 4.459,1319 3.807,1320 47.038,1321 105,1322 86,1323 0.222,1324 188.722,1325 319.77,1326 452.243,1327 11900,1328 2.4,1329 19.767,1330 0.732,1331 0.617,1332 21.017,1333 16.652,1334 12.686,1335 0.437,1336 0.342,1337 7.673,1338 10.706,1339 7.271,1340 6.058,1341 14.085,1342 9.909,1343 12.489,1344 0.29,1345 0.192,1346 14.61,1347 8.277,1348 9.889,1349 0.18,1350 0.104,1351 11.511,1352 5.723,1353 7.746,1354 0.112,1355 0.057,1356 9.239,1357 3.922,1358 6.178,1359 0.074,1360 0.031,1361 7.699,1362 2.63,1363 0.348,1364 97.51,1365 0.234,1366 25.8,1367 0.61,1368 144,1369 539.37,1370 265.035,1371 574.611,1372 752.47,1373 522,1374 170,1375 505.566,1376 262.278,1377 552.311,1378 794.92,1379 513,1380 7.523}
{0 CHEMBL1928551,1 1.879,2 10.966,3 3.101,4 9.614,5 108.133,6 9.166,7 0.516,8 3.935,9 4.028,10 3.812,11 3.496,12 5.213,13 3.482,14 4.433,15 4.573,16 4.138,17 3.861,18 5.921,19 3.854,20 4.612,21 4.743,22 4.234,23 4.023,24 6.039,25 3.998,26 4.795,27 4.949,28 4.211,29 4.029,30 6.198,31 3.996,32 4.791,33 4.977,34 4.162,35 3.95,36 6.126,37 3.911,38 4.764,39 4.951,40 4.102,41 3.874,42 6.402,43 3.845,44 4.678,45 4.895,46 3.876,47 3.792,48 6.077,49 3.729,50 4.474,51 4.666,52 3.709,53 3.721,54 5.744,55 3.641,56 0.232,57 0.748,58 8.314,59 4.026,60 21.305,61 4.12,62 0.558,63 1.127,64 14.682,65 6.192,66 88.05,67 6.936,68 0.498,69 1.355,70 19.56,71 7.999,72 52.277,73 7.787,74 0.814,75 1.463,76 26.557,77 9.443,78 130.037,79 8.989,80 0.926,81 1.411,82 30.378,83 9.437,84 132.146,85 9.506,86 1.134,87 1.311,88 26.373,89 8.442,90 197.649,91 9.678,92 0.912,93 1.182,94 25.091,95 8.073,96 117.59,97 9.533,98 0.556,99 0.996,100 19.073,101 7.513,102 100.869,103 8.462,104 69,105 46,106 0.316,107 0.677,108 0.788,109 0.854,110 0.854,111 0.854,112 3.408,113 0.944,114 -3.38,115 -3.37,116 -3.22,119 40,120 2,124 1,142 5,143 3,144 2,145 1,151 1,152 1,157 1,158 1,166 4,172 5,174 4,175 9,183 7,186 2,187 18,195 4,198 2,199 15,207 2,211 6,212 15,220 1,223 8,224 5,232 5,236 7,237 4,245 4,249 1,250 8,258 4,263 10,271 4,275 1288,276 18.712,277 18.712,278 18.712,279 18.712,280 18.712,281 15.948,282 16.248,283 10.486,284 19.047,285 15.13,286 15.13,287 15.13,288 15.13,289 15.13,290 10.762,291 14.95,292 4.808,293 15.7,294 3.613,295 1.462,296 0.797,297 0.406,298 0.406,299 0.406,300 4.078,304 1,305 1,306 666,307 4.528,310 69.942,311 189.536,314 129.368,318 1.558,319 50.552,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 65,331 318,332 4.962,333 4.742,334 7.699,335 4.467,336 3.539,337 4.805,338 2.612,339 13.738,340 3.261,341 4.605,342 4.058,343 6.694,344 4.124,345 3.153,346 4.546,347 2.035,348 10.825,349 3.057,350 4.237,351 3.775,352 6.057,353 3.734,354 2.759,355 3.918,356 0.782,357 8.488,358 2.688,359 3.964,360 3.259,361 5.762,362 3.474,363 2.496,364 3.383,366 7.573,367 2.442,368 3.783,369 2.772,370 5.634,371 3.297,372 2.312,373 3.228,375 7.055,376 2.273,377 3.686,378 2.559,379 5.217,380 3.13,381 2.162,382 3.04,384 6.44,385 2.085,386 3.085,387 2.263,388 4.749,389 2.597,390 1.636,391 2.287,393 4.703,394 1.564,395 3.024,396 1.961,397 4.417,398 2.323,399 1.351,400 2.016,402 3.74,403 1.307,404 2.916,405 1.9,406 3.986,407 2.233,408 1.235,409 1.837,411 3.066,412 1.233,413 2.72,414 1.565,415 3.802,416 2.1,417 1.134,418 1.704,420 2.86,421 1.093,422 2.617,423 1.189,424 3.678,425 1.936,426 0.965,427 1.316,428 2.399,429 0.935,430 2.333,431 1.037,432 3.236,433 1.618,434 0.646,435 1.051,436 1.433,437 0.626,438 1.983,439 1,440 2.895,441 1.272,442 0.327,443 0.566,445 0.543,446 0.308,447 1.251,448 0.657,449 2.779,450 0.882,451 -0.098,452 -0.125,454 -0.228,455 -0.096,456 1,457 0.431,458 2.578,459 0.432,460 -0.519,461 -0.601,463 -1.217,464 -0.492,465 13.567,466 0.468,467 1.027,468 0.035,469 42.75,470 1.474,471 24.5,472 0.845,473 18.25,474 0.629,475 21.6,476 0.745,477 30.833,478 0.685,479 36.344,480 1.253,481 8.363,482 0.288,483 5.282,484 0.182,485 0.238,486 0.061,487 0.346,493 0.335,494 1.203,495 0.73,496 1.216,497 0.557,498 0.929,499 0.563,500 1.094,501 0.641,502 0.82,503 0.456,504 0.716,505 0.906,506 1.257,507 1.234,508 1.267,509 0.678,510 1.049,511 1.373,512 1.21,513 1.359,514 1.259,515 1.315,516 1.165,517 1.203,518 0.959,519 1.284,520 1.146,521 1.2,522 1.041,523 0.944,524 0.97,525 0.953,526 0.952,527 0.908,528 1.007,529 0.978,530 0.737,531 0.979,532 0.798,533 0.985,534 0.957,535 1.011,536 0.916,537 1.015,538 0.998,539 1.112,540 1.1,541 8,542 0.153,543 5.111,544 2.819,545 2.209,546 1.517,547 0.869,548 0.464,549 0.389,550 0.255,551 9722,552 36852,553 1.946,554 35.6,555 3,556 8,557 1,558 1,560 3,564 1.721,565 1.749,566 3.434,567 -0.615,568 1,569 1,573 84.565,574 1.879,575 4.03,576 4.695,577 5.086,578 5.086,579 5.086,580 2.872,581 4.651,582 4.832,583 3.576,584 1451.94,585 8.425,586 19352.2,588 1,590 1,591 247.133,592 1.739,593 4.736,594 0.258,595 0.007,596 0.111,597 0.056,598 0.048,599 0.036,600 0.022,601 0.014,602 0.013,603 0.009,604 0.574,605 0.33,606 0.88,607 0.946,608 146.375,609 0.277,610 -0.004,611 0.212,612 -0.086,613 -0.055,614 -0.026,615 0.231,616 -0.013,617 0.248,618 0.179,619 0.234,620 0.216,621 -0.111,622 -0.121,623 -0.183,624 -0.148,625 0.033,626 -0.127,627 -0.297,628 -0.193,629 -0.269,630 -0.185,631 -0.224,632 -0.219,633 -0.132,634 0.041,635 -0.124,636 -0.078,637 -0.177,638 -0.062,639 0.193,640 -0.044,641 0.044,642 -0.006,643 0.218,644 -0.028,645 0.039,646 0.178,647 0.006,648 0.127,649 -0.015,650 0.06,651 -0.12,652 -0.016,653 -0.058,654 0.003,655 -0.162,656 -0.042,657 5.033,658 5.929,659 0.517,660 24.732,661 1.031,662 1.129,663 2.154,664 4.64,665 0.696,666 3.466,667 3.85,668 4.127,669 4.331,670 4.533,671 4.605,672 4.595,673 4.615,674 4.564,675 4.543,676 6.505,677 0.685,678 412.47,679 3.466,680 5.043,681 5.911,682 6.812,683 7.702,684 8.606,685 9.502,686 10.406,687 11.305,688 12.21,689 13.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 45,733 22,734 1,735 31,737 47,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,760 1,761 14,762 3,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 16,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 29,852 1,859 1,861 1,866 1,868 1,870 8.9,873 2,876 2,877 16.583,878 9.367,879 6.306,880 2.449,881 3.966,882 1.544,883 0.966,884 5.389,885 11.258,886 3.85,887 4.53,888 5.123,889 5.689,890 6.224,891 6.633,892 6.954,893 7.236,894 7.369,895 7.654,896 1,897 50,898 11.026,900 5.116,901 8.296,902 19.366,904 15.664,905 2.796,906 81.083,909 1,910 188.338,911 132.697,912 72.615,914 95.06,916 5.807,917 126.89,918 283.397,919 72.615,920 31.717,922 62.236,923 92.106,924 73.194,925 13.915,926 164.795,927 50.747,928 188.338,929 199.505,930 95.06,931 5.807,933 188.338,934 44.313,935 50.747,937 76.98,938 100.192,939 28.14,941 188.338,942 167.675,943 132.697,945 5.807,946 188.338,947 18.765,948 99.753,949 16.602,950 159.445,951 188.338,952 167.675,953 132.697,955 0.602,956 0.363,957 0.177,958 0.097,959 22,960 12,961 0.106,962 5,963 1,964 1.133,965 3.802,966 256.521,967 0.133,968 15,969 136.881,973 1,974 20.474,975 7.633,976 3.837,977 0.6,978 160.841,979 10.018,980 4.171,984 0.831,987 488.71,988 46,990 -0.654,991 -4.116,993 47.876,996 4.145,997 0.351,999 46.414,1000 50.823,1001 0.342,1002 0.734,1003 0.855,1004 0.926,1005 0.926,1006 0.926,1007 5.118,1008 1.351,1009 5.969,1010 4.703,1011 4.533,1012 5.218,1013 3.077,1014 6.874,1015 4.457,1016 6.41,1017 1.235,1018 7.61,1019 3.74,1020 4.443,1021 5.407,1022 2.361,1023 8.17,1024 4.299,1025 7.789,1026 1.134,1027 9.365,1028 3.066,1029 6.271,1030 7.62,1031 4.593,1032 11.251,1033 6.094,1034 9.21,1035 0.965,1036 11.188,1037 2.86,1038 6.967,1039 8.602,1040 4.506,1041 13.377,1042 6.704,1043 10.663,1044 0.646,1045 13.056,1046 2.399,1047 8.363,1048 10.361,1049 6.264,1050 16.094,1051 8.057,1052 12.141,1053 0.327,1054 14.958,1055 1.433,1056 9.376,1057 11.666,1058 6.556,1059 18.526,1060 8.978,1061 13.638,1062 -0.098,1063 16.886,1064 0.543,1065 10.644,1066 13.277,1067 8.011,1068 21.154,1069 10.187,1070 3.539,1071 -0.519,1072 18.834,1073 -0.228,1074 11.786,1075 14.718,1076 8.548,1077 23.699,1078 11.239,1079 3.153,1080 13.738,1081 20.798,1082 -1.217,1083 13.021,1084 16.281,1085 9.813,1086 26.309,1087 12.403,1088 2.759,1089 10.825,1090 22.776,1091 4.805,1092 14.219,1093 17.78,1094 10.509,1095 28.895,1096 13.512,1097 2.496,1098 8.488,1099 24.765,1100 4.546,1101 15.451,1102 19.329,1103 11.655,1104 31.505,1105 14.666,1106 2.312,1107 7.573,1108 26.763,1109 3.918,1110 16.673,1111 20.856,1112 12.452,1113 34.108,1114 15.801,1115 2.162,1116 7.055,1117 28.768,1118 3.383,1119 17.91,1120 22.403,1121 13.525,1122 36.72,1123 16.956,1124 1.636,1125 6.44,1126 30.779,1127 3.228,1128 19.146,1129 23.942,1130 14.386,1131 39.331,1132 18.105,1133 9653,1134 18980,1135 19.304,1136 31.307,1137 49.246,1138 52.142,1139 50.639,1140 47.446,1141 47.432,1142 67.397,1143 10.859,1144 145.727,1145 45.744,1146 5.765,1147 6.742,1148 7.249,1149 5.53,1150 5.539,1151 7.805,1152 4.647,1153 21.931,1154 5.261,1155 19.357,1156 1.589,1157 1.682,1158 1.634,1159 1.531,1160 1.53,1161 2.174,1162 0.35,1163 4.701,1164 1.476,1165 4.15,1166 4.182,1167 4.742,1168 4.087,1169 7.815,1170 4.034,1171 4.081,1172 4.084,1173 4.093,1174 3.975,1175 7.715,1176 3.975,1177 3.792,1178 3.797,1179 3.881,1180 3.617,1181 6.999,1182 3.579,1183 3.56,1184 3.595,1185 3.517,1186 3.439,1187 6.999,1188 3.433,1189 3.462,1190 3.499,1191 3.432,1192 3.153,1193 6.82,1194 3.201,1195 3.309,1196 3.369,1197 3.269,1198 3.093,1199 5.066,1200 3.108,1201 3.09,1202 3.174,1203 2.919,1204 2.863,1205 4.65,1206 2.849,1207 3.005,1208 3.082,1209 2.812,1210 2.819,1211 4.572,1212 2.802,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.962,1219 0.155,1220 4.742,1221 0.084,1222 7.699,1223 0.443,1224 4.467,1225 0.105,1226 3.539,1227 4.805,1228 2.612,1229 13.738,1230 3.261,1231 1.993,1232 1.997,1233 2.02,1234 2.111,1235 1.235,1236 2.109,1237 1.925,1238 1.893,1239 1.996,1240 2.061,1241 1.122,1242 2.041,1243 1.639,1244 1.61,1245 1.773,1246 1.874,1247 0.845,1248 1.852,1249 1.479,1250 1.478,1251 1.605,1252 1.728,1253 0.74,1254 1.694,1255 1.312,1256 1.259,1257 1.565,1258 1.605,1259 0.612,1260 1.608,1261 1.186,1262 1.113,1263 1.418,1264 1.445,1265 0.464,1266 1.432,1267 1.084,1268 1.027,1269 1.157,1270 1.323,1271 0.421,1272 1.375,1273 1.061,1274 0.976,1275 1.149,1276 1.277,1277 0.094,1278 1.265,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.71,1286 6.843,1287 10.398,1289 4.418,1300 0.77,1303 9.084,1304 2.04,1305 30.809,1306 84.565,1307 181.343,1308 211.259,1309 228.869,1310 228.869,1311 228.869,1312 81.815,1313 7.292,1314 136.65,1315 145.03,1316 17,1317 12.73,1318 4.524,1319 4,1320 52.424,1321 114,1322 113,1323 0.227,1324 196.933,1325 340.81,1326 472.276,1327 14013,1329 21.345,1330 0.736,1331 0.572,1332 21.595,1333 16.582,1334 13.645,1335 0.44,1336 0.315,1337 8.287,1338 12.132,1339 7.874,1340 6.598,1341 14.434,1342 9.759,1343 13.089,1344 0.285,1345 0.178,1346 14.431,1347 8.165,1348 11.016,1349 0.181,1350 0.1,1351 12.389,1352 6.113,1353 8.338,1354 0.111,1355 0.054,1356 9.402,1357 4.03,1358 6.473,1359 0.07,1360 0.029,1361 7.422,1362 2.633,1363 0.354,1364 95.084,1365 0.228,1366 27.264,1367 0.631,1368 154,1369 575.673,1370 213.893,1371 576.083,1372 765.25,1373 524,1374 184,1375 540.971,1376 252.32,1377 578.124,1378 832.48,1379 537,1380 7.097}
{0 CHEMBL1928552,1 1.85,2 10.933,3 3.768,4 14.195,5 112.76,6 8.885,7 0.5,8 3.989,9 4.087,10 3.837,11 3.548,12 5.241,13 3.528,14 4.498,15 4.646,16 4.159,17 3.915,18 5.945,19 3.898,20 4.691,21 4.842,22 4.266,23 4.076,24 6.069,25 4.043,26 4.846,27 5.002,28 4.261,29 4.089,30 6.226,31 4.057,32 4.866,33 5.047,34 4.269,35 4.064,36 6.161,37 4.022,38 4.91,39 5.097,40 4.216,41 4.052,42 6.484,43 4.002,44 4.901,45 5.134,46 3.979,47 3.975,48 6.23,49 3.894,50 4.625,51 4.818,52 3.825,53 3.892,54 5.856,55 3.799,56 0.232,57 0.787,58 9.481,59 4.357,60 19.846,61 4.687,62 0.552,63 1.191,64 16.625,65 6.779,66 86.435,67 7.954,68 0.503,69 1.437,70 23.416,71 8.876,72 52.772,73 9.487,74 0.789,75 1.551,76 28.538,77 9.725,78 123.106,79 9.747,80 0.906,81 1.551,82 31.344,83 9.97,84 125.863,85 10.48,86 1.156,87 1.555,88 32.993,89 10.2,90 186.874,91 11.746,92 1.126,93 1.41,94 33.815,95 10.422,96 160.406,97 12.829,98 0.539,99 1.171,100 21.836,101 8.921,102 93.983,103 10.553,104 74,105 47,106 0.307,107 0.674,108 0.817,109 0.857,110 0.857,111 0.857,112 3.441,113 0.968,114 -3.62,115 -3.59,116 -3.42,119 39.6,120 2,121 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,157 1,158 1,166 4,172 6,174 4,175 9,183 7,186 2,187 19,195 5,198 2,199 16,207 2,211 6,212 17,220 2,223 8,224 7,232 6,236 7,237 4,245 7,249 1,250 9,258 6,263 11,271 5,275 1402,276 19.582,277 19.582,278 19.582,279 19.582,280 19.582,281 16.871,282 17.46,283 11.01,284 19.909,285 15.568,286 15.568,287 15.568,288 15.568,289 15.568,290 11.186,291 16.228,292 4.966,293 16.138,294 3.735,295 1.527,296 0.664,297 0.422,298 0.422,299 0.422,300 4.112,304 1,305 1,306 685,307 4.637,310 72.725,311 197.74,314 134.563,318 1.542,319 51.647,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 67,331 328,332 4.962,333 4.742,334 7.7,335 4.467,336 3.539,337 4.805,338 2.612,339 13.74,340 3.263,341 4.61,342 4.058,343 6.719,344 4.134,345 3.164,346 4.548,347 2.035,348 10.942,349 3.068,350 4.237,351 3.775,352 6.059,353 3.735,354 2.76,355 3.918,356 0.782,357 8.499,358 2.689,359 3.983,360 3.293,361 5.801,362 3.507,363 2.532,364 3.403,366 7.867,367 2.471,368 3.789,369 2.802,370 5.685,371 3.297,372 2.312,373 3.228,375 7.081,376 2.273,377 3.704,378 2.573,379 5.224,380 3.161,381 2.189,382 3.063,384 6.488,385 2.12,386 3.097,387 2.268,388 4.765,389 2.607,390 1.644,391 2.309,393 4.775,394 1.577,395 3.024,396 1.974,397 4.498,398 2.373,399 1.403,400 2.016,402 3.854,403 1.354,404 2.916,405 1.901,406 4.008,407 2.233,408 1.235,409 1.839,411 3.088,412 1.233,413 2.727,414 1.617,415 3.835,416 2.126,417 1.165,418 1.718,420 2.89,421 1.116,422 2.618,423 1.197,424 3.736,425 2.003,426 1.015,427 1.355,428 2.574,429 1.002,430 2.388,431 1.08,432 3.247,433 1.694,434 0.716,435 1.12,436 1.541,437 0.699,438 2.024,439 1,440 2.961,441 1.336,442 0.391,443 0.649,445 0.598,446 0.368,447 1.477,448 0.708,449 2.787,450 1.119,451 0.161,452 0.205,454 0.26,455 0.154,456 1.251,457 0.566,458 2.65,459 0.88,460 -0.101,461 -0.129,463 -0.233,464 -0.098,465 14.067,466 0.469,467 0.989,468 0.033,469 43.25,470 1.442,471 24.5,472 0.817,473 18.75,474 0.625,475 23.654,476 0.788,477 32.133,478 0.669,479 37.258,480 1.242,481 8.309,482 0.277,483 5.874,484 0.196,485 0.23,486 0.059,487 0.334,493 0.333,494 1.216,495 0.739,496 1.223,497 0.55,498 0.95,499 0.549,500 1.111,501 0.658,502 0.855,503 0.45,504 0.764,505 0.853,506 1.228,507 1.134,508 1.2,509 0.644,510 0.975,511 1.396,512 1.216,513 1.334,514 1.226,515 1.321,516 1.122,517 1.19,518 1,519 1.209,520 1.108,521 1.177,522 1.025,523 0.927,524 1.043,525 1.186,526 1.152,527 0.816,528 1.109,529 1.075,530 0.666,531 0.946,532 0.723,533 1.107,534 0.893,535 0.898,536 0.994,537 0.988,538 1.066,539 0.99,540 1.169,541 8,542 0.153,543 5.111,544 2.819,545 2.289,546 1.709,547 0.889,548 0.554,549 0.402,550 0.311,551 10377,552 38169,553 1.948,554 37.5,555 6,556 8,557 1,558 1,560 2,564 1.732,565 1.756,566 3.429,567 -0.627,569 1,573 88.799,574 1.85,575 4.058,576 4.921,577 5.163,578 5.163,579 5.163,580 2.857,581 4.415,582 4.881,583 3.569,584 1552.4,585 8.533,586 21086.1,588 1,590 1,591 268.078,592 1.731,593 4.788,594 0.25,595 0.006,596 0.109,597 0.054,598 0.047,599 0.036,600 0.02,601 0.015,602 0.012,603 0.01,604 0.559,605 0.33,606 0.88,607 1.004,608 152.592,609 0.28,610 -0.005,611 0.21,612 -0.08,613 -0.047,614 -0.024,615 0.24,616 -0.026,617 0.237,618 0.153,619 0.233,620 0.183,621 -0.058,622 -0.111,623 -0.064,624 -0.08,625 0.062,626 -0.017,627 -0.3,628 -0.169,629 -0.257,630 -0.162,631 -0.221,632 -0.195,633 -0.127,634 0.033,635 -0.096,636 -0.057,637 -0.175,638 -0.074,639 0.154,640 -0.059,641 -0.11,642 -0.133,643 0.227,644 -0.139,645 -0.004,646 0.206,647 0.038,648 0.198,649 -0.058,650 0.135,651 -0.079,652 -0.078,653 -0.082,654 -0.071,655 -0.119,656 -0.12,657 5.043,658 6.045,659 0.5,660 25.782,661 1.027,662 1.13,663 2.386,664 5.695,665 0.689,666 3.497,667 3.871,668 4.159,669 4.369,670 4.585,671 4.673,672 4.673,673 4.691,674 4.644,675 4.644,676 6.499,677 0.674,678 426.5,679 3.497,680 5.069,681 5.938,682 6.838,683 7.731,684 8.635,685 9.533,686 10.439,687 11.34,688 12.247,689 12.5,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 48,733 22,734 1,735 32,737 50,738 19,739 13,740 3,741 3,742 1,746 3,747 4,752 2,758 1,760 1,761 14,762 4,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 18,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 30,852 1,854 1,859 1,861 1,866 1,868 1,870 8.3,873 2,876 2,877 17.083,878 9.867,879 6.639,880 2.824,881 3.93,882 1.536,883 0.963,884 5.888,885 11.266,886 3.871,887 4.541,888 5.141,889 5.706,890 6.246,891 6.663,892 6.986,893 7.273,894 7.413,895 7.716,896 1,897 52,898 11.419,900 5.272,901 8.253,902 20.183,904 16.326,905 2.753,906 82.583,909 1,910 211.88,911 135.232,912 72.615,914 95.06,916 5.807,917 129.424,918 306.94,919 72.615,920 31.717,921 2.535,922 62.236,923 92.106,924 73.194,925 13.915,926 188.338,927 50.747,928 211.88,929 202.04,930 95.06,931 5.807,933 211.88,934 44.313,935 50.747,937 79.515,938 100.192,939 28.14,941 211.88,942 167.675,943 135.232,945 5.807,946 211.88,947 21.3,948 99.753,949 16.602,950 159.445,951 211.88,952 167.675,953 135.232,955 0.596,956 0.364,957 0.182,958 0.101,959 22,960 12,961 0.12,962 6,963 1,964 1.133,965 3.852,966 270.175,967 0.133,968 15,969 143.207,973 1,974 21.449,975 8.235,976 4.072,977 0.618,978 160.841,979 10.117,980 4.219,984 0.889,987 514.787,988 47,990 -0.648,991 -4.126,993 48.2,996 4.263,997 0.439,999 49.298,1000 54.239,1001 0.331,1002 0.727,1003 0.881,1004 0.924,1005 0.924,1006 0.924,1007 5.136,1008 1.403,1009 5.989,1010 4.775,1011 4.554,1012 5.228,1013 3.077,1014 6.895,1015 4.48,1016 6.422,1017 1.235,1018 7.629,1019 3.854,1020 4.443,1021 5.407,1022 2.361,1023 8.191,1024 4.299,1025 7.799,1026 1.165,1027 9.382,1028 3.088,1029 6.29,1030 7.627,1031 4.593,1032 11.272,1033 6.116,1034 9.219,1035 1.015,1036 11.204,1037 2.89,1038 6.976,1039 8.606,1040 4.506,1041 13.397,1042 6.715,1043 10.672,1044 0.716,1045 13.072,1046 2.574,1047 8.379,1048 10.366,1049 6.264,1050 16.112,1051 8.077,1052 12.149,1053 0.391,1054 14.973,1055 1.541,1056 9.388,1057 11.669,1058 6.556,1059 18.543,1060 8.993,1061 13.646,1062 0.161,1063 16.9,1064 0.598,1065 10.657,1066 13.28,1067 8.011,1068 21.169,1069 10.206,1070 3.539,1071 -0.101,1072 18.847,1073 0.26,1074 11.798,1075 14.721,1076 8.548,1077 23.711,1078 11.256,1079 3.164,1080 13.74,1081 20.811,1082 -0.233,1083 13.033,1084 16.284,1085 9.813,1086 26.32,1087 12.422,1088 2.76,1089 10.942,1090 22.788,1091 4.805,1092 14.23,1093 17.783,1094 10.509,1095 28.905,1096 13.531,1097 2.532,1098 8.499,1099 24.776,1100 4.548,1101 15.462,1102 19.332,1103 11.655,1104 31.513,1105 14.686,1106 2.312,1107 7.867,1108 26.773,1109 3.918,1110 16.684,1111 20.858,1112 12.452,1113 34.115,1114 15.821,1115 2.189,1116 7.081,1117 28.777,1118 3.403,1119 17.92,1120 22.405,1121 13.525,1122 36.727,1123 16.976,1124 1.644,1125 6.488,1126 30.788,1127 3.228,1128 19.156,1129 23.945,1130 14.386,1131 39.337,1132 18.125,1133 10336,1134 20022,1135 19.997,1136 33.068,1137 49.987,1138 53.269,1139 52.1,1140 48.463,1141 48.451,1142 68.352,1143 10.859,1144 148.394,1145 46.773,1146 5.765,1147 6.742,1148 7.249,1149 5.531,1150 5.539,1151 7.805,1152 4.647,1153 21.933,1154 5.263,1155 19.866,1156 1.562,1157 1.665,1158 1.628,1159 1.514,1160 1.514,1161 2.136,1162 0.339,1163 4.637,1164 1.462,1165 4.152,1166 4.184,1167 4.742,1168 4.088,1169 7.815,1170 4.036,1171 4.081,1172 4.084,1173 4.095,1174 3.977,1175 7.715,1176 3.975,1177 3.794,1178 3.804,1179 3.881,1180 3.621,1181 6.999,1182 3.588,1183 3.603,1184 3.639,1185 3.545,1186 3.482,1187 6.999,1188 3.462,1189 3.465,1190 3.503,1191 3.433,1192 3.227,1193 6.82,1194 3.236,1195 3.398,1196 3.462,1197 3.324,1198 3.15,1199 5.064,1200 3.192,1201 3.132,1202 3.199,1203 2.971,1204 2.902,1205 4.649,1206 2.9,1207 3.037,1208 3.108,1209 2.917,1210 2.859,1211 4.56,1212 2.848,1213 0.155,1214 0.148,1215 0.241,1216 0.14,1217 0.111,1218 4.962,1219 0.15,1220 4.742,1221 0.082,1222 7.7,1223 0.429,1224 4.467,1225 0.102,1226 3.539,1227 4.805,1228 2.612,1229 13.74,1230 3.263,1231 1.993,1232 1.997,1233 2.021,1234 2.111,1235 1.236,1236 2.109,1237 1.927,1238 1.895,1239 2,1240 2.062,1241 1.154,1242 2.042,1243 1.677,1244 1.635,1245 1.864,1246 1.89,1247 1.005,1248 1.877,1249 1.504,1250 1.509,1251 1.631,1252 1.758,1253 0.774,1254 1.747,1255 1.316,1256 1.259,1257 1.565,1258 1.63,1259 0.612,1260 1.618,1261 1.309,1262 1.242,1263 1.505,1264 1.523,1265 0.575,1266 1.522,1267 1.134,1268 1.076,1269 1.191,1270 1.351,1271 0.421,1272 1.377,1273 1.071,1274 0.999,1275 1.149,1276 1.322,1277 0.185,1278 1.312,1279 4.174,1281 5.533,1282 2.398,1283 7.089,1284 4.727,1285 8.732,1286 6.843,1287 10.421,1289 4.648,1295 0.395,1300 0.801,1303 9.141,1304 2.058,1305 32.336,1306 88.799,1307 194.763,1308 236.204,1309 247.814,1310 247.814,1311 247.814,1312 87.636,1313 7.336,1314 136.65,1315 145.03,1316 17,1317 12.766,1318 4.524,1319 4,1320 55.145,1321 118,1322 117,1323 0.232,1324 206.525,1325 358.11,1326 495.681,1327 14517,1329 22.052,1330 0.735,1331 0.576,1332 22.302,1333 17.29,1334 14.183,1335 0.443,1336 0.323,1337 8.848,1338 12.674,1339 8.439,1340 7.073,1341 14.972,1342 10.32,1343 13.28,1344 0.283,1345 0.178,1346 14.622,1347 8.38,1348 11.346,1349 0.18,1350 0.101,1351 12.719,1352 6.339,1353 8.583,1354 0.11,1355 0.053,1356 9.629,1357 4.169,1358 6.829,1359 0.07,1360 0.029,1361 7.775,1362 2.844,1363 0.359,1364 98.312,1365 0.224,1366 27.936,1367 0.649,1368 158,1369 579.673,1370 217.893,1371 579.886,1372 771.99,1373 528,1374 189,1375 546.971,1376 257.486,1377 583.37,1378 842.33,1379 543,1380 6.409}
{0 CHEMBL1928553,1 1.822,2 10.935,3 4.224,4 17.84,5 117.361,6 8.638,7 0.485,8 4.041,9 4.143,10 3.862,11 3.598,12 5.268,13 3.572,14 4.559,15 4.713,16 4.18,17 3.967,18 5.969,19 3.94,20 4.765,21 4.93,22 4.285,23 4.127,24 6.096,25 4.083,26 4.909,27 5.079,28 4.293,29 4.139,30 6.251,31 4.099,32 4.913,33 5.095,34 4.316,35 4.122,36 6.191,37 4.081,38 4.976,39 5.159,40 4.318,41 4.156,42 6.509,43 4.103,44 5.03,45 5.256,46 4.107,47 4.137,48 6.327,49 4.044,50 4.859,51 5.074,52 3.933,53 4.059,54 6.044,55 3.954,56 0.231,57 0.825,58 10.626,59 4.69,60 18.531,61 5.251,62 0.544,63 1.255,64 18.538,65 7.365,66 85.2,67 8.958,68 0.501,69 1.518,70 26.623,71 9.723,72 52.115,73 11.03,74 0.775,75 1.63,76 32.167,77 10.508,78 118.739,79 11.385,80 0.895,81 1.637,82 33.156,83 10.243,84 119.92,85 11.18,86 1.14,87 1.695,88 34.15,89 10.753,90 184.604,91 12.731,92 1.132,93 1.653,94 40.015,95 12.165,96 146.453,97 14.862,98 0.729,99 1.4,100 30.467,101 11.296,102 132.845,103 13.84,104 75,105 48,106 0.299,107 0.663,108 0.823,109 0.86,110 0.86,111 0.86,112 3.472,113 0.984,114 -3.84,115 -3.8,116 -3.61,119 39.2,120 2,121 2,124 1,142 5,143 3,144 2,145 1,151 1,152 1,157 1,158 1,166 4,172 7,174 4,175 9,183 8,186 2,187 19,195 5,198 2,199 17,207 3,211 6,212 18,220 2,223 8,224 9,232 7,236 7,237 6,245 8,249 1,250 9,258 9,263 12,271 7,275 1568,276 20.289,277 20.289,278 20.289,279 20.289,280 20.289,281 17.578,282 17.46,283 11.62,284 20.616,285 16.106,286 16.106,287 16.106,288 16.106,289 16.106,290 11.747,291 16.228,292 5.27,293 16.673,294 3.851,295 1.635,296 0.664,297 0.437,298 0.437,299 0.437,300 4.144,304 1,305 1,306 706,307 4.743,310 75.704,311 206.282,314 140.098,318 1.494,319 52.459,322 1,323 0.83,324 1,325 0.8,327 0.83,328 1,329 0.78,330 69,331 339,332 4.962,333 4.742,334 7.7,335 4.467,336 3.539,337 4.805,338 2.612,339 13.74,340 3.263,341 4.61,342 4.058,343 6.72,344 4.136,345 3.165,346 4.548,347 2.035,348 10.952,349 3.07,350 4.237,351 3.775,352 6.059,353 3.735,354 2.76,355 3.918,356 0.782,357 8.502,358 2.689,359 3.986,360 3.297,361 5.806,362 3.515,363 2.54,364 3.405,366 7.912,367 2.478,368 3.79,369 2.807,370 5.688,371 3.297,372 2.312,373 3.228,375 7.084,376 2.273,377 3.707,378 2.576,379 5.224,380 3.17,381 2.196,382 3.066,384 6.496,385 2.131,386 3.101,387 2.269,388 4.768,389 2.617,390 1.65,391 2.315,393 4.805,394 1.59,395 3.024,396 1.98,397 4.514,398 2.436,399 1.463,400 2.016,402 3.919,403 1.414,404 2.916,405 1.901,406 4.017,407 2.234,408 1.235,409 1.84,411 3.118,412 1.233,413 2.732,414 1.65,415 3.852,416 2.188,417 1.218,418 1.727,420 2.93,421 1.179,422 2.62,423 1.234,424 3.748,425 2.063,426 1.074,427 1.413,428 2.694,429 1.061,430 2.451,431 1.155,432 3.262,433 1.84,434 0.872,435 1.202,436 1.755,437 0.842,438 2.13,439 1,440 3.104,441 1.57,442 0.603,443 0.9,445 1.178,446 0.581,447 1.903,448 0.949,449 2.835,450 1.266,451 0.319,452 0.532,454 0.532,455 0.301,456 1.251,457 0.647,458 2.769,459 0.883,460 -0.098,461 -0.125,463 -0.227,464 -0.096,465 14.567,466 0.47,467 0.989,468 0.032,469 43.75,470 1.411,471 24.5,472 0.79,473 19.25,474 0.621,475 25.672,476 0.828,477 33.433,478 0.656,479 38.053,480 1.228,481 8.309,482 0.268,483 6.374,484 0.206,485 0.222,486 0.057,487 0.323,493 0.332,494 1.229,495 0.749,496 1.23,497 0.543,498 0.97,499 0.539,500 1.126,501 0.674,502 0.886,503 0.441,504 0.805,505 0.82,506 1.206,507 1.094,508 1.175,509 0.623,510 0.965,511 1.342,512 1.198,513 1.25,514 1.175,515 1.278,516 1.056,517 1.217,518 1.011,519 1.195,520 1.084,521 1.186,522 0.997,523 0.93,524 1.077,525 1.129,526 1.118,527 0.81,528 1.09,529 1.056,530 0.765,531 1.152,532 0.925,533 1.015,534 0.993,535 1.021,536 0.871,537 0.956,538 0.933,539 1.125,540 1.057,541 8,542 0.198,543 5.111,544 2.819,545 2.289,546 1.764,547 1.026,548 0.569,549 0.471,550 0.321,551 11160,552 39722,553 1.949,554 39.2,555 8,556 8,557 1,558 1,560 2,564 1.742,565 1.763,566 3.42,567 -0.639,569 1,573 92.907,574 1.822,575 4.038,576 5.008,577 5.236,578 5.236,579 5.236,580 2.845,581 4.761,582 4.928,583 3.569,584 1659.47,585 8.638,586 23105.4,588 1,590 1,591 289.294,592 1.721,593 4.839,594 0.242,595 0.007,596 0.106,597 0.053,598 0.045,599 0.035,600 0.021,601 0.014,602 0.013,603 0.009,604 0.546,605 0.33,606 0.88,607 1.15,608 159.11,609 0.282,610 -0.006,611 0.208,612 -0.076,613 -0.04,614 -0.022,615 0.247,616 -0.038,617 0.225,618 0.129,619 0.238,620 0.154,621 -0.027,622 -0.103,623 -0.017,624 -0.057,625 0.075,626 0.014,627 -0.247,628 -0.16,629 -0.164,630 -0.113,631 -0.183,632 -0.109,633 -0.134,634 0.048,635 -0.096,636 -0.044,637 -0.177,638 -0.064,639 0.147,640 -0.061,641 -0.086,642 -0.109,643 0.217,644 -0.141,645 -0.026,646 0.166,647 -0.101,648 0.062,649 -0.031,650 0.014,651 -0.112,652 0.003,653 -0.035,654 0.047,655 -0.15,656 -0.002,657 5.051,658 6.134,659 0.484,660 27.309,661 1.023,662 1.13,663 2.614,664 6.832,665 0.683,666 3.526,667 3.892,668 4.174,669 4.394,670 4.615,671 4.718,672 4.736,673 4.762,674 4.718,675 4.718,676 6.548,677 0.664,678 440.53,679 3.526,680 5.094,681 5.958,682 6.858,683 7.748,684 8.652,685 9.55,686 10.457,687 11.357,688 12.265,689 11.8,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 51,733 22,734 1,735 33,737 53,738 20,739 13,740 3,741 3,742 1,746 3,747 4,752 2,758 2,760 1,761 14,762 5,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 20,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 31,852 1,854 2,859 1,861 1,866 1,868 1,870 7.8,873 2,876 2,877 17.583,878 10.367,879 6.889,880 3.074,881 3.896,882 1.528,883 0.96,884 6.403,885 11.273,886 3.892,887 4.551,888 5.147,889 5.716,890 6.255,891 6.677,892 7.008,893 7.297,894 7.444,895 7.747,896 1,897 53,898 11.808,900 5.424,901 8.212,902 20.999,904 16.993,905 2.712,906 84.083,909 1,910 235.422,911 137.766,912 72.615,914 95.06,916 5.807,917 131.959,918 330.482,919 72.615,920 31.717,921 5.069,922 62.236,923 92.106,924 73.194,925 13.915,926 211.88,927 50.747,928 235.422,929 204.574,930 95.06,931 5.807,933 235.422,934 44.313,935 50.747,937 82.049,938 100.192,939 28.14,941 235.422,942 167.675,943 137.766,945 5.807,946 235.422,947 23.834,948 99.753,949 16.602,950 159.445,951 235.422,952 167.675,953 137.766,955 0.59,956 0.356,957 0.182,958 0.103,959 22,960 12,961 0.132,962 7,963 1,964 1.133,965 3.922,966 282.626,967 0.133,968 15,969 149.58,973 1,974 22.426,975 8.851,976 4.436,977 0.628,978 160.841,979 10.188,980 4.253,984 0.923,987 540.864,988 48,990 -0.643,991 -4.134,993 48.455,996 4.334,997 0.474,999 52.182,1000 57.654,1001 0.321,1002 0.712,1003 0.883,1004 0.923,1005 0.923,1006 0.923,1007 5.153,1008 1.463,1009 6.004,1010 4.805,1011 4.575,1012 5.239,1013 3.077,1014 6.905,1015 4.502,1016 6.433,1017 1.235,1018 7.639,1019 3.919,1020 4.443,1021 5.407,1022 2.361,1023 8.191,1024 4.299,1025 7.807,1026 1.218,1027 9.388,1028 3.118,1029 6.301,1030 7.63,1031 4.593,1032 11.277,1033 6.129,1034 9.224,1035 1.074,1036 11.208,1037 2.93,1038 6.976,1039 8.606,1040 4.506,1041 13.399,1042 6.715,1043 10.675,1044 0.872,1045 13.075,1046 2.694,1047 8.385,1048 10.367,1049 6.264,1050 16.115,1051 8.085,1052 12.152,1053 0.603,1054 14.975,1055 1.755,1056 9.389,1057 11.67,1058 6.556,1059 18.544,1060 8.994,1061 13.648,1062 0.319,1063 16.902,1064 1.178,1065 10.661,1066 13.281,1067 8.011,1068 21.171,1069 10.211,1070 3.539,1071 -0.098,1072 18.849,1073 0.532,1074 11.8,1075 14.721,1076 8.548,1077 23.713,1078 11.259,1079 3.165,1080 13.74,1081 20.812,1082 -0.227,1083 13.036,1084 16.284,1085 9.813,1086 26.321,1087 12.426,1088 2.76,1089 10.952,1090 22.789,1091 4.805,1092 14.232,1093 17.783,1094 10.509,1095 28.906,1096 13.534,1097 2.54,1098 8.502,1099 24.777,1100 4.548,1101 15.464,1102 19.332,1103 11.655,1104 31.514,1105 14.689,1106 2.312,1107 7.912,1108 26.774,1109 3.918,1110 16.686,1111 20.859,1112 12.452,1113 34.116,1114 15.824,1115 2.196,1116 7.084,1117 28.778,1118 3.405,1119 17.922,1120 22.406,1121 13.525,1122 36.727,1123 16.979,1124 1.65,1125 6.496,1126 30.788,1127 3.228,1128 19.157,1129 23.945,1130 14.386,1131 39.338,1132 18.128,1133 11142,1134 21240,1135 20.69,1136 34.83,1137 51.612,1138 54.661,1139 53.287,1140 49.916,1141 49.895,1142 69.829,1143 10.859,1144 151.234,1145 48.212,1146 5.766,1147 6.742,1148 7.463,1149 5.531,1150 5.539,1151 7.805,1152 4.647,1153 21.933,1154 5.263,1155 20.371,1156 1.564,1157 1.656,1158 1.615,1159 1.513,1160 1.512,1161 2.116,1162 0.329,1163 4.583,1164 1.461,1165 4.153,1166 4.185,1167 4.742,1168 4.089,1169 7.815,1170 4.037,1171 4.081,1172 4.085,1173 4.095,1174 3.978,1175 7.715,1176 3.975,1177 3.796,1178 3.81,1179 3.881,1180 3.624,1181 6.999,1182 3.597,1183 3.647,1184 3.687,1185 3.567,1186 3.523,1187 6.999,1188 3.491,1189 3.474,1190 3.523,1191 3.433,1192 3.31,1193 6.82,1194 3.313,1195 3.447,1196 3.493,1197 3.368,1198 3.151,1199 5.064,1200 3.197,1201 3.188,1202 3.243,1203 3.099,1204 2.963,1205 4.649,1206 2.974,1207 3.065,1208 3.15,1209 2.918,1210 2.861,1211 4.556,1212 2.849,1213 0.15,1214 0.144,1215 0.233,1216 0.135,1217 0.107,1218 4.962,1219 0.146,1220 4.742,1221 0.079,1222 7.7,1223 0.416,1224 4.467,1225 0.099,1226 3.539,1227 4.805,1228 2.612,1229 13.74,1230 3.263,1231 1.993,1232 1.997,1233 2.021,1234 2.111,1235 1.244,1236 2.109,1237 1.927,1238 1.896,1239 2.006,1240 2.063,1241 1.214,1242 2.043,1243 1.71,1244 1.66,1245 1.922,1246 1.905,1247 1.077,1248 1.905,1249 1.532,1250 1.532,1251 1.658,1252 1.788,1253 0.789,1254 1.784,1255 1.398,1256 1.347,1257 1.565,1258 1.66,1259 0.663,1260 1.629,1261 1.312,1262 1.259,1263 1.555,1264 1.565,1265 0.612,1266 1.57,1267 1.148,1268 1.086,1269 1.326,1270 1.385,1271 0.43,1272 1.379,1273 1.072,1274 1.003,1275 1.153,1276 1.323,1277 0.421,1278 1.349,1279 4.205,1281 5.557,1282 2.398,1283 7.106,1284 4.727,1285 8.744,1286 6.843,1287 10.431,1289 4.784,1295 1.157,1300 0.821,1303 9.188,1304 2.072,1305 33.862,1306 92.907,1307 205.927,1308 255.419,1309 267.029,1310 267.029,1311 267.029,1312 93.239,1313 7.378,1314 136.65,1315 145.03,1316 17,1317 12.783,1318 4.524,1319 4,1320 57.931,1321 122,1322 122,1323 0.233,1324 216.117,1325 375.41,1326 519.086,1327 15086,1329 22.759,1330 0.734,1331 0.581,1332 23.009,1333 17.997,1334 14.683,1335 0.445,1336 0.328,1337 9.348,1338 13.174,1339 8.926,1340 7.501,1341 15.472,1342 10.82,1343 13.66,1344 0.285,1345 0.183,1346 15.003,1347 8.777,1348 11.481,1349 0.179,1350 0.101,1351 12.854,1352 6.491,1353 8.816,1354 0.11,1355 0.054,1356 9.863,1357 4.33,1358 7.002,1359 0.07,1360 0.029,1361 7.936,1362 2.943,1363 0.361,1364 101.312,1365 0.22,1366 28.652,1367 0.659,1368 162,1369 583.673,1370 221.893,1371 584.131,1372 777.79,1373 532,1374 193,1375 550.971,1376 261.486,1377 587.71,1378 848.58,1379 547,1380 6.215}
{0 CHEMBL1928554,1 1.98,2 10.321,3 3.97,4 15.762,5 110.018,6 10.599,7 0.533,8 3.915,9 4.006,10 3.907,11 3.499,12 5.131,13 3.468,14 4.423,15 4.561,16 4.288,17 3.878,18 5.897,19 3.85,20 4.596,21 4.722,22 4.368,23 4.037,24 5.984,25 3.983,26 4.762,27 4.909,28 4.352,29 4.025,30 6.129,31 3.971,32 4.765,33 4.947,34 4.375,35 3.963,36 6.067,37 3.896,38 4.736,39 4.922,40 4.241,41 3.87,42 6.337,43 3.812,44 4.651,45 4.862,46 3.982,47 3.793,48 5.994,49 3.703,50 4.424,51 4.605,52 4.093,53 3.741,54 5.645,55 3.627,56 0.233,57 0.715,58 5.329,59 4.093,60 15.788,61 4.103,62 0.566,63 1.089,64 12.626,65 6.556,66 79.671,67 7.003,68 0.524,69 1.292,70 24.745,71 8.799,72 43.048,73 8.027,74 0.821,75 1.387,76 27.538,77 10.02,78 103.747,79 8.98,80 0.924,81 1.347,82 29.537,83 10.149,84 110.044,85 9.554,86 1.144,87 1.24,88 29.779,89 9.211,90 182.063,91 9.797,92 0.931,93 1.118,94 38.024,95 9.067,96 99.546,97 9.816,98 0.524,99 0.918,100 26.891,101 8.397,102 75.854,103 8.542,104 66,105 45,106 0.337,107 0.674,108 0.789,109 0.857,110 0.857,111 0.857,112 3.375,113 1.027,114 -4.3,115 -4.24,116 -4,117 1,119 38.6,120 2,124 1,142 5,143 2,144 3,145 1,151 1,152 1,157 1,166 4,172 3,174 4,175 8,183 9,186 2,187 15,195 3,198 2,199 15,207 3,211 5,212 14,223 7,224 5,232 6,236 6,237 4,245 4,250 6,258 4,263 12,271 2,275 1172,276 17.841,277 17.841,278 17.841,279 17.841,280 17.841,281 15.117,282 14.567,283 9.984,284 18.331,285 14.703,286 14.703,287 14.703,288 14.703,289 14.703,290 10.523,291 13.281,292 4.66,293 15.577,294 3.479,295 1.495,296 0.815,297 0.415,298 0.415,299 0.415,300 4.043,304 1,305 1,306 608,307 4.416,310 66.831,311 182.206,314 124.212,318 1.536,319 45.805,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 62.25,331 289,332 4.962,333 4.742,334 7.699,335 4.467,336 3.539,337 4.805,338 2.612,339 13.738,340 3.261,341 4.599,342 3.775,343 6.693,344 4.115,345 3.15,346 4.54,347 0.782,348 10.814,349 3.037,350 4.237,351 3.279,352 6.057,353 3.733,354 2.759,355 3.918,357 8.488,358 2.687,359 3.885,360 2.9,361 5.76,362 3.411,363 2.466,364 3.322,366 7.513,367 2.328,368 3.736,369 2.636,370 5.621,371 3.266,372 2.293,373 3.203,375 7.013,376 2.221,377 3.521,378 2.49,379 4.961,380 2.973,381 2.095,382 2.903,384 5.818,385 1.729,386 3.081,387 1.967,388 4.749,389 2.596,390 1.635,391 2.287,393 4.702,394 1.56,395 2.916,396 1.901,397 4.409,398 2.318,399 1.349,400 2.016,402 3.722,403 1.299,404 2.729,405 1.565,406 3.979,407 2.233,408 1.235,409 1.816,411 3.055,412 1.232,413 2.634,414 1.21,415 3.801,416 2.082,417 1.118,418 1.67,420 2.855,421 1.068,422 2.342,423 1.041,424 3.675,425 1.913,426 0.953,427 1.257,428 2.383,429 0.903,430 2.003,431 1,432 3.216,433 1.497,434 0.539,435 0.764,436 1.328,437 0.496,438 1.251,439 0.711,440 2.888,441 0.883,442 -0.098,443 -0.125,445 -0.228,446 -0.095,447 1.014,448 0.433,449 2.583,450 0.486,451 -0.346,452 -0.438,454 -0.826,455 -0.197,456 1,457 0.15,458 2.375,459 0.368,460 -0.562,461 -0.626,463 -1.314,464 -0.519,465 14,466 0.5,467 1.065,468 0.038,469 39,470 1.393,471 21.5,472 0.768,473 17.5,474 0.625,475 23.991,476 0.857,477 29.8,478 0.677,479 31.437,480 1.123,481 7.449,482 0.266,483 5.658,484 0.202,485 0.298,486 0.06,487 0.336,493 0.337,494 1.211,495 0.527,496 1.031,497 0.579,498 0.883,499 0.57,500 1.112,501 0.559,502 0.715,503 0.465,504 0.679,505 0.943,506 1.253,507 1.095,508 1.2,509 0.703,510 1.044,511 1.356,512 1.227,513 0.835,514 1.148,515 1.358,516 1.13,517 1.191,518 0.985,519 0.767,520 1.018,521 1.256,522 0.996,523 0.946,524 0.963,525 0.728,526 0.891,527 0.952,528 0.989,529 0.999,530 0.725,531 1.003,532 0.873,533 1.028,534 0.977,535 0.985,536 0.995,537 0.541,538 0.839,539 1.081,540 1.037,541 8,542 0.153,543 5.111,544 2.819,545 2.169,546 1.455,547 0.772,548 0.464,549 0.365,550 0.215,551 8839,552 34669,553 1.944,554 36.4,555 3,556 8,557 1,558 1,560 3,564 1.712,565 1.741,566 3.363,567 -0.601,569 1,573 87.118,574 1.98,575 3.964,576 4.644,577 5.044,578 5.044,579 5.044,580 2.74,581 4.45,582 4.783,583 3.517,584 1329.26,585 8.325,586 17232.1,591 240.215,592 1.745,593 4.681,594 0.267,595 0.008,596 0.114,597 0.059,598 0.049,599 0.036,600 0.021,601 0.015,602 0.013,603 0.008,604 0.589,605 0.17,606 0.88,607 0.86,608 139.414,609 0.273,610 0.003,611 0.046,612 -0.071,613 -0.082,614 -0.024,615 0.221,616 -0.013,617 0.083,618 0.175,619 0.262,620 0.215,621 -0.139,622 -0.107,623 -0.149,624 -0.146,625 0.036,626 -0.138,627 -0.28,628 -0.195,629 -0.099,630 -0.166,631 -0.213,632 -0.213,633 -0.126,634 0.032,635 -0.002,636 -0.032,637 -0.176,638 -0.041,639 0.187,640 -0.028,641 0.012,642 0.004,643 0.246,644 -0.029,645 0.021,646 0.198,647 -0.078,648 0.055,649 -0.018,650 0.032,651 -0.102,652 -0.099,653 0.139,654 0.088,655 -0.133,656 -0.005,657 4.985,658 5.919,659 0.536,660 22.857,661 1.032,662 1.127,663 3.074,664 9.45,665 0.714,666 3.434,667 3.829,668 4.094,669 4.304,670 4.5,671 4.543,672 4.511,673 4.554,674 4.466,675 4.431,676 6.287,677 0.69,678 466.35,679 3.434,680 5.017,681 5.883,682 6.788,683 7.676,684 8.581,685 9.476,686 10.381,687 11.279,688 12.185,689 11.4,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 44,733 21,734 1,735 30,736 1,737 46,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 2,761 14,762 3,766 5,768 1,769 1,771 4,774 1,775 1,778 1,781 16,782 7,784 11,785 2,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,843 1,844 3,848 28,852 1,859 1,869 1,870 9.1,873 2,876 2,877 16.083,878 9.06,879 5.972,880 2.373,881 3.766,882 1.524,883 0.977,884 5.572,885 10.96,886 3.784,887 4.497,888 5.068,889 5.642,890 6.162,891 6.513,892 6.78,893 7.097,894 7.135,895 7.38,896 0.857,897 48,898 10.664,900 4.934,901 8.19,902 18.929,904 15.383,905 2.69,906 75.333,910 188.338,911 115.965,912 87.51,914 95.06,916 5.807,917 156.112,918 283.397,919 41.556,920 31.717,922 62.236,923 75.504,924 42.004,925 13.915,926 164.795,927 96.701,928 188.338,929 151.714,930 95.06,931 5.807,932 45.954,933 188.338,934 44.313,935 50.747,937 45.921,938 83.46,939 28.14,940 45.954,941 188.338,942 136.616,943 161.919,945 5.807,946 188.338,947 18.635,948 99.753,949 45.954,950 128.386,951 188.338,952 136.616,953 161.919,955 0.608,956 0.36,957 0.177,958 0.097,959 22,960 12,961 0.109,962 5,963 1,964 1.133,965 3.719,966 245.202,967 0.133,968 15,969 130.606,973 1,974 20.461,975 7.625,976 3.976,977 0.757,978 129.782,979 10.748,980 4.226,984 1.446,987 486.873,988 43,990 -0.635,991 -4.068,993 47.843,996 4.186,997 0.433,999 45.425,1000 49.582,1001 0.363,1002 0.726,1003 0.851,1004 0.924,1005 0.924,1006 0.924,1007 5.05,1008 1.349,1009 5.948,1010 4.702,1011 4.511,1012 5.185,1013 2.597,1014 6.855,1015 4.402,1016 6.344,1017 1.235,1018 7.591,1019 3.722,1020 4.443,1021 5.407,1022 2.361,1023 8.155,1024 4.241,1025 7.728,1026 1.118,1027 9.348,1028 3.055,1029 6.252,1030 7.593,1031 4.166,1032 11.238,1033 6.031,1034 9.155,1035 0.953,1036 11.172,1037 2.855,1038 6.957,1039 8.59,1040 4.506,1041 13.368,1042 6.643,1043 10.614,1044 0.539,1045 13.042,1046 2.383,1047 8.349,1048 10.341,1049 5.949,1050 16.087,1051 7.999,1052 12.097,1053 -0.098,1054 14.946,1055 1.328,1056 9.367,1057 11.653,1058 6.556,1059 18.522,1060 8.925,1061 13.598,1062 -0.346,1063 16.875,1064 -0.228,1065 10.633,1066 13.263,1067 7.794,1068 21.152,1069 10.138,1070 3.539,1071 -0.562,1072 18.825,1073 -0.826,1074 11.779,1075 14.707,1076 8.548,1077 23.697,1078 11.195,1079 3.15,1080 13.738,1081 20.791,1082 -1.314,1083 13.014,1084 16.27,1085 9.67,1086 26.308,1087 12.362,1088 2.759,1089 10.814,1090 22.771,1091 4.805,1092 14.213,1093 17.771,1094 10.509,1095 28.894,1096 13.474,1097 2.466,1098 8.488,1099 24.761,1100 4.54,1101 15.445,1102 19.321,1103 11.563,1104 31.504,1105 14.63,1106 2.293,1107 7.513,1108 26.759,1109 3.918,1110 16.669,1111 20.848,1112 12.452,1113 34.107,1114 15.767,1115 2.095,1116 7.013,1117 28.765,1118 3.322,1119 17.906,1120 22.396,1121 13.468,1122 36.72,1123 16.923,1124 1.635,1125 5.818,1126 30.777,1127 3.203,1128 19.143,1129 23.935,1130 14.386,1131 39.331,1132 18.073,1133 8750,1134 17509,1135 18.611,1136 31.415,1137 46.888,1138 48.574,1139 49.24,1140 46.49,1141 46.264,1142 64.996,1143 6.79,1144 142.856,1145 43.642,1146 5.765,1147 6.742,1148 7.047,1149 5.53,1150 5.539,1151 7.805,1152 4.612,1153 21.931,1154 5.261,1155 18.798,1156 1.563,1157 1.619,1158 1.641,1159 1.55,1160 1.542,1161 2.167,1162 0.226,1163 4.762,1164 1.455,1165 4.146,1166 4.176,1167 6.88,1168 4.087,1169 7.815,1170 4.031,1171 4.078,1172 4.083,1173 4.742,1174 3.977,1175 7.715,1176 3.972,1177 3.791,1178 3.795,1179 4.05,1180 3.617,1181 6.999,1182 3.575,1183 3.535,1184 3.574,1185 3.881,1186 3.427,1187 6.999,1188 3.397,1189 3.443,1190 3.472,1191 3.451,1192 3.151,1193 5.077,1194 3.196,1195 3.229,1196 3.287,1197 3.391,1198 3.059,1199 4.65,1200 3.046,1201 3.085,1202 3.172,1203 3.04,1204 2.854,1205 4.579,1206 2.825,1207 3.005,1208 3.082,1209 2.849,1210 2.774,1211 4.318,1212 2.751,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.962,1219 0.16,1220 4.742,1221 0.087,1222 7.699,1223 0.458,1224 4.467,1225 0.109,1226 3.539,1227 4.805,1228 2.612,1229 13.738,1230 3.261,1231 1.993,1232 1.997,1233 2.02,1234 2.11,1235 1.235,1236 2.109,1237 1.905,1238 1.875,1239 1.955,1240 2.04,1241 1.121,1242 2.022,1243 1.634,1244 1.605,1245 1.764,1246 1.872,1247 0.845,1248 1.85,1249 1.477,1250 1.474,1251 1.605,1252 1.728,1253 0.74,1254 1.694,1255 1.312,1256 1.259,1257 1.565,1258 1.604,1259 0.612,1260 1.608,1261 1.157,1262 1.083,1263 1.417,1264 1.394,1265 0.464,1266 1.411,1267 1.064,1268 0.982,1269 1.149,1270 1.323,1271 0.421,1272 1.374,1273 0.907,1274 0.84,1275 1.075,1276 1.25,1277 0.09,1278 1.259,1279 4.111,1281 5.485,1282 2.398,1283 7.045,1284 4.727,1285 8.689,1286 6.843,1287 10.378,1288 3.398,1289 4.534,1300 0.815,1305 30.339,1306 87.118,1307 174.425,1308 204.341,1309 221.95,1310 221.95,1311 221.95,1312 73.872,1313 7.194,1314 112.86,1315 121.24,1316 17,1317 12.704,1318 4.459,1319 3.807,1320 49.642,1321 106,1322 93,1323 0.231,1324 198.315,1325 337.07,1326 475.648,1327 12326,1328 2.3,1329 20.637,1330 0.737,1331 0.629,1332 21.887,1333 17.599,1334 13.107,1335 0.437,1336 0.342,1337 8.058,1338 11.064,1339 7.602,1340 6.348,1341 14.473,1342 10.268,1343 12.92,1344 0.287,1345 0.198,1346 15.079,1347 8.899,1348 10.592,1349 0.18,1350 0.109,1351 12.49,1352 6.439,1353 8.096,1354 0.111,1355 0.058,1356 9.598,1357 4.269,1358 6.333,1359 0.071,1360 0.033,1361 7.863,1362 2.9,1363 0.358,1364 99.874,1365 0.232,1366 26.434,1367 0.644,1368 150,1369 550.683,1370 275.069,1371 584.261,1372 769.93,1373 532,1374 179,1375 521.295,1376 274.917,1377 568.728,1378 822.99,1379 529,1380 5.921}
{0 CHEMBL1928555,1 1.879,2 11,3 3.469,4 12.034,5 109.069,6 9.166,7 0.516,8 3.935,9 4.028,10 3.812,11 3.496,12 5.209,13 3.482,14 4.434,15 4.57,16 4.126,17 3.857,18 5.918,19 3.846,20 4.636,21 4.789,22 4.239,23 4.014,24 6.017,25 3.98,26 4.773,27 4.925,28 4.181,29 3.995,30 6.21,31 3.963,32 4.748,33 4.927,34 4.109,35 3.87,36 6.129,37 3.852,38 4.622,39 4.781,40 4.105,41 3.838,42 6.31,43 3.823,44 4.706,45 4.914,46 3.911,47 3.836,48 6.074,49 3.77,50 4.6,51 4.83,52 3.769,53 3.766,54 5.809,55 3.689,56 0.232,57 0.748,58 8.314,59 4.026,60 21.929,61 4.12,62 0.55,63 1.128,64 14.186,65 6.189,66 87.955,67 6.88,68 0.539,69 1.359,70 21.211,71 8.304,72 58.394,73 8.467,74 0.797,75 1.429,76 30.475,77 9.777,78 123.109,79 8.934,80 1.03,81 1.285,82 27.189,83 8.577,84 168.043,85 8.369,86 0.901,87 1.225,88 19.799,89 7.09,90 152.633,91 7.971,92 0.892,93 1.235,94 24.42,95 8.352,96 122.507,97 9.816,98 0.671,99 1.095,100 24.555,101 8.252,102 90.765,103 9.903,104 59,105 45,106 0.316,107 0.685,108 0.821,109 0.864,110 0.864,111 0.864,112 3.408,113 0.959,114 -3.38,115 -3.37,116 -3.22,119 40,120 2,125 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 9,183 6,186 2,187 18,195 4,198 2,199 15,207 1,211 6,212 13,220 3,223 8,224 5,232 4,236 7,237 6,245 4,249 1,250 9,258 4,263 8,271 5,275 1357,276 19.082,277 19.082,278 19.082,279 19.082,280 19.082,281 16.41,282 15.821,283 10.804,284 19.457,285 15.091,286 15.091,287 15.091,288 15.091,289 15.091,290 10.838,291 10.804,292 4.862,293 15.673,294 3.613,295 1.414,296 0.603,297 0.345,298 0.345,299 0.345,300 4.081,304 1,305 1,306 668,307 4.416,310 70.541,311 190.129,314 130.406,318 1.517,319 50.645,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 65,331 319,332 4.965,333 4.743,334 7.72,335 4.474,336 3.546,337 4.806,338 2.612,339 13.879,340 3.267,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.237,351 3.775,352 6.078,353 3.737,354 2.762,355 3.918,357 8.539,358 2.692,359 3.894,360 3.097,361 5.762,362 3.36,363 2.375,364 3.279,366 7.293,367 2.342,368 3.769,369 2.688,370 5.292,371 3.31,372 2.325,373 3.231,375 6.728,376 2.282,377 3.469,378 2.388,379 5.097,380 2.938,381 1.976,382 2.791,384 5.924,385 1.894,386 3.062,387 2.244,388 4.819,389 2.669,390 1.713,391 2.172,393 4.802,394 1.626,395 3.024,396 1.944,397 4.157,398 2.244,399 1.275,400 2.013,402 3.471,403 1.236,404 2.914,405 1.902,406 3.967,407 2.233,408 1.235,409 1.851,411 3.047,412 1.23,413 2.706,414 1.394,415 3.776,416 2.087,417 1.096,418 1.655,420 2.813,421 1.084,422 2.62,423 1.175,424 3.334,425 1.85,426 0.899,427 1.306,428 1.959,429 0.853,430 2.308,431 1.082,432 3.118,433 1.581,434 0.618,435 0.969,436 1.18,437 0.593,438 1.988,439 1,440 2.911,441 1.311,442 0.365,443 0.591,445 0.577,446 0.344,447 1.252,448 0.678,449 2.778,450 0.916,451 -0.06,452 -0.074,454 -0.117,455 -0.058,456 1.109,457 0.475,458 2.55,459 0.835,460 -0.15,461 -0.193,463 -0.303,464 -0.148,465 13.567,466 0.468,467 0.9,468 0.031,469 42.75,470 1.474,471 24.5,472 0.845,473 18.25,474 0.629,475 21.053,476 0.726,477 30.833,478 0.685,479 35.793,480 1.234,481 8.312,482 0.287,483 5.46,484 0.188,485 0.201,486 0.061,487 0.31,493 0.335,494 1.203,495 0.73,496 1.216,497 0.55,498 0.929,499 0.567,500 1.152,501 0.691,502 0.894,503 0.464,504 0.81,505 0.872,506 1.174,507 1.119,508 1.146,509 0.657,510 0.953,511 1.413,512 1.229,513 1.646,514 1.467,515 1.319,516 1.185,517 1.49,518 0.844,519 1.103,520 0.886,521 1.605,522 0.922,523 0.742,524 1.111,525 0.938,526 1.083,527 0.67,528 1.085,529 0.942,530 0.87,531 1.003,532 0.911,533 0.98,534 1.077,535 0.963,536 0.726,537 0.892,538 0.799,539 0.823,540 0.876,541 7.5,542 0.153,543 4.889,544 2.792,545 1.844,546 1.434,547 0.727,548 0.572,549 0.332,550 0.291,551 9822,552 37008,553 1.965,554 35.6,555 3,556 7,557 1,558 2,561 3,564 1.722,565 1.785,566 3.419,567 -0.615,569 1,573 84.565,574 1.879,575 4.078,576 4.889,577 5.147,578 5.147,579 5.147,580 2.85,581 4.582,582 4.832,583 3.583,584 1454.53,585 8.427,586 19526.1,588 1,590 1,591 247.133,592 1.713,593 4.748,594 0.242,595 0.006,596 0.109,597 0.057,598 0.041,599 0.036,600 0.018,601 0.017,602 0.011,603 0.01,604 0.546,605 0.33,606 0.88,607 1.001,608 146.624,609 0.277,610 -0.004,611 0.212,612 -0.086,613 -0.045,614 -0.026,615 0.222,616 -0.068,617 0.189,618 0.104,619 0.223,620 0.116,621 -0.072,622 -0.075,623 -0.028,624 -0.027,625 0.049,626 0.008,627 -0.31,628 -0.187,629 -0.386,630 -0.278,631 -0.193,632 -0.222,633 -0.226,634 0.095,635 -0.052,636 0.092,637 -0.325,638 0.031,639 0.292,640 -0.102,641 -0.004,642 -0.134,643 0.337,644 -0.16,645 0.044,646 0.053,647 -0.049,648 0.011,649 -0.039,650 -0.069,651 -0.081,652 0.151,653 0.118,654 0.176,655 -0.014,656 0.216,657 5.022,658 6.008,659 0.517,660 24.683,661 1.031,662 1.129,663 2.154,664 4.64,665 0.696,666 3.466,667 3.829,668 4.111,669 4.317,670 4.489,671 4.575,672 4.575,673 4.615,674 4.554,675 4.543,676 6.549,677 0.685,678 412.47,679 3.466,680 5.03,681 5.894,682 6.79,683 7.675,684 8.575,685 9.464,686 10.366,687 11.258,688 12.161,689 13.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 45,733 22,734 1,735 31,737 47,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,760 1,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 16,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 29,852 1,854 1,859 1,861 1,866 1,868 1,870 8.9,873 2,876 2,877 16.25,878 8.95,879 6.444,880 2.637,881 3.97,882 1.544,883 0.966,884 5.65,885 11.262,886 3.85,887 4.508,888 5.105,889 5.676,890 6.187,891 6.603,892 6.925,893 7.218,894 7.332,895 7.617,896 1,897 49,898 11.033,900 5.107,901 8.29,902 19.408,904 15.68,905 2.79,906 80.917,909 1,910 188.338,911 132.697,912 72.615,914 95.06,916 5.807,917 126.89,918 283.397,919 72.615,920 23.32,921 2.106,922 62.236,923 110.167,924 73.194,925 13.915,926 153.024,927 50.747,928 188.338,929 199.505,930 95.06,931 5.807,933 153.024,934 79.626,935 50.747,937 79.086,938 89.039,939 37.188,941 188.338,942 167.675,943 132.697,945 5.807,946 188.338,947 18.114,948 100.404,949 16.602,950 159.445,951 188.338,952 167.675,953 132.697,955 0.592,956 0.361,957 0.182,958 0.094,959 21,960 11,961 0.128,962 6,963 1,964 1.133,965 3.842,966 254.056,967 0.133,968 15,969 136.881,973 1,974 20.474,975 8.003,976 3.974,977 0.591,978 160.841,979 9.998,980 4.136,984 0.823,987 488.71,988 46,990 -0.649,991 -4.106,993 48.065,995 1.331,996 4.068,999 46.414,1000 50.823,1001 0.342,1002 0.743,1003 0.89,1004 0.937,1005 0.937,1006 0.937,1007 5.106,1008 1.275,1009 5.938,1010 4.802,1011 4.511,1012 5.196,1013 3.019,1014 6.834,1015 4.433,1016 6.385,1017 1.235,1018 7.57,1019 3.471,1020 4.369,1021 5.352,1022 2.361,1023 8.134,1024 4.223,1025 7.757,1026 1.096,1027 9.318,1028 3.047,1029 6.236,1030 7.59,1031 4.585,1032 11.214,1033 6.055,1034 9.172,1035 0.899,1036 11.138,1037 2.813,1038 6.909,1039 8.562,1040 4.506,1041 13.364,1042 6.636,1043 10.622,1044 0.618,1045 13.007,1046 1.959,1047 8.321,1048 10.331,1049 6.263,1050 16.086,1051 8.005,1052 12.098,1053 0.365,1054 14.912,1055 1.18,1056 9.328,1057 11.634,1058 6.556,1059 18.543,1060 8.912,1061 13.594,1062 -0.06,1063 16.844,1064 0.577,1065 10.603,1066 13.249,1067 8.011,1068 21.183,1069 10.128,1070 3.546,1071 -0.15,1072 18.797,1073 -0.117,1074 11.746,1075 14.69,1076 8.548,1077 23.748,1078 11.174,1079 3.091,1080 13.879,1081 20.767,1082 -0.303,1083 12.986,1084 16.255,1085 9.813,1086 26.373,1087 12.341,1088 2.762,1089 10.36,1090 22.752,1091 4.806,1092 14.187,1093 17.755,1094 10.509,1095 28.976,1096 13.448,1097 2.375,1098 8.539,1099 24.747,1100 4.519,1101 15.423,1102 19.304,1103 11.655,1104 31.6,1105 14.603,1106 2.325,1107 7.293,1108 26.751,1109 3.918,1110 16.65,1111 20.831,1112 12.452,1113 34.218,1114 15.738,1115 1.976,1116 6.728,1117 28.763,1118 3.279,1119 17.891,1120 22.378,1121 13.525,1122 36.844,1123 16.894,1124 1.713,1125 5.924,1126 30.78,1127 3.231,1128 19.132,1129 23.917,1130 14.386,1131 39.469,1132 18.044,1133 9740,1134 19092,1135 19.592,1136 31.307,1137 48.454,1138 51.663,1139 49.672,1140 46.545,1141 46.556,1142 66.199,1143 9.294,1144 141.139,1145 44.868,1146 5.786,1147 6.743,1148 7.27,1149 5.537,1150 5.546,1151 7.806,1152 4.647,1153 22.119,1154 5.267,1155 18.318,1156 1.563,1157 1.667,1158 1.602,1159 1.501,1160 1.502,1161 2.135,1162 0.3,1163 4.553,1164 1.447,1165 4.147,1166 4.178,1167 4.743,1168 4.088,1169 7.815,1170 4.031,1171 4.081,1172 4.086,1173 4.088,1174 3.97,1175 7.715,1176 3.974,1177 3.798,1178 3.807,1179 3.881,1180 3.623,1181 6.999,1182 3.584,1183 3.531,1184 3.569,1185 3.485,1186 3.394,1187 6.999,1188 3.399,1189 3.474,1190 3.521,1191 3.433,1192 3.22,1193 6.82,1194 3.23,1195 3.347,1196 3.381,1197 3.269,1198 3.136,1199 5.071,1200 3.131,1201 3.157,1202 3.227,1203 3.067,1204 2.933,1205 4.649,1206 2.964,1207 3.007,1208 3.085,1209 2.8,1210 2.682,1211 4.57,1212 2.719,1213 0.16,1214 0.153,1215 0.249,1216 0.144,1217 0.114,1218 4.965,1219 0.155,1220 4.743,1221 0.084,1222 7.72,1223 0.448,1224 4.474,1225 0.105,1226 3.546,1227 4.806,1228 2.612,1229 13.879,1230 3.267,1231 1.994,1232 1.998,1233 2.021,1234 2.111,1235 1.244,1236 2.11,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.108,1242 2.038,1243 1.637,1244 1.611,1245 1.824,1246 1.882,1247 1.003,1248 1.868,1249 1.466,1250 1.433,1251 1.615,1252 1.709,1253 0.654,1254 1.653,1255 1.353,1256 1.31,1257 1.565,1258 1.632,1259 0.615,1260 1.636,1261 1.26,1262 1.224,1263 1.234,1264 1.463,1265 0.537,1266 1.514,1267 1.147,1268 1.085,1269 1.158,1270 1.385,1271 0.163,1272 1.344,1273 0.907,1274 0.84,1275 1.12,1276 1.267,1277 0.121,1278 1.267,1279 4.143,1281 5.493,1282 2.398,1283 7.041,1284 4.727,1285 8.678,1286 6.823,1287 10.363,1289 3.161,1295 0.017,1300 0.858,1303 9.053,1304 2.032,1305 30.809,1306 84.565,1307 183.524,1308 220.014,1309 231.624,1310 231.624,1311 231.624,1312 82.26,1313 7.292,1314 136.65,1315 145.03,1316 17,1317 12.683,1318 4.524,1319 4,1320 52.39,1321 113,1322 117,1323 0.225,1324 196.933,1325 340.81,1326 472.276,1327 14102,1329 21.181,1330 0.73,1331 0.564,1332 21.431,1333 16.367,1334 13.772,1335 0.444,1336 0.32,1337 8.44,1338 12.284,1339 8.095,1340 6.763,1341 14.561,1342 9.909,1343 12.754,1344 0.283,1345 0.175,1346 14.054,1347 7.863,1348 10.814,1349 0.18,1350 0.102,1351 12.193,1352 6.117,1353 8.484,1354 0.115,1355 0.057,1356 9.761,1357 4.185,1358 6.262,1359 0.071,1360 0.029,1361 7.14,1362 2.566,1363 0.351,1364 95.809,1365 0.226,1366 27.313,1367 0.622,1368 152,1369 571.673,1370 211.893,1371 571.283,1372 758.52,1373 520,1374 181,1375 534.971,1376 250.99,1377 570,1378 822.66,1379 531,1380 9.301}
{0 CHEMBL1928556,1 1.804,2 11.118,3 4.704,4 22.125,5 128.934,6 9.126,7 0.595,8 4.078,9 4.168,10 3.94,11 3.683,12 5.343,13 3.665,14 4.566,15 4.688,16 4.255,17 4.053,18 6.018,19 4.033,20 4.791,21 4.938,22 4.353,23 4.201,24 6.124,25 4.151,26 4.937,27 5.11,28 4.339,29 4.165,30 6.29,31 4.116,32 4.881,33 5.059,34 4.37,35 4.092,36 6.249,37 4.07,38 4.835,39 4.969,40 4.391,41 4.125,42 6.52,43 4.122,44 4.917,45 5.09,46 4.267,47 4.194,48 6.313,49 4.155,50 4.867,51 5.03,52 4.23,53 4.25,54 6.104,55 4.189,56 0.232,57 0.832,58 9.092,59 4.602,60 19.121,61 4.683,62 0.514,63 1.277,64 14.533,65 7.143,66 79.866,67 7.678,68 0.476,69 1.583,70 22.68,71 9.986,72 51.497,73 10.266,74 0.792,75 1.726,76 33.24,77 11.694,78 119.328,79 11.32,80 0.948,81 1.615,82 32.889,83 10.693,84 136.065,85 10.051,86 1.039,87 1.56,88 25.623,89 9.281,90 172.924,91 8.74,92 0.97,93 1.617,94 28.305,95 10.672,96 139.367,97 11.219,98 0.551,99 1.566,100 23.469,101 11.107,102 84.031,103 12.457,104 41,105 53,106 0.291,107 0.614,108 0.755,109 0.846,110 0.863,111 0.863,112 3.561,113 0.93,114 -4.29,115 -4.23,116 -3.99,119 44.2,120 1,125 1,142 10,143 4,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 11,174 4,175 9,183 12,186 2,187 20,195 7,198 2,199 19,207 1,211 6,212 20,220 3,223 8,224 10,232 10,236 7,237 8,245 14,249 1,250 15,258 15,263 18,271 13,275 2354,276 22.642,277 22.642,278 22.642,279 22.642,280 22.642,281 19.219,282 19.459,283 13.13,284 22.973,285 18.163,286 18.163,287 18.163,288 18.163,289 18.163,290 12.877,291 19.753,292 6.127,293 18.732,294 3.896,295 1.903,296 1.029,297 0.467,298 0.361,299 0.361,300 4.25,304 1,305 1,306 806,307 4.472,310 84.506,311 352.105,314 156.564,318 1.426,319 54.546,322 1,323 0.67,324 1,325 0.4,327 0.83,328 1,329 0.7,330 75,331 378,332 4.967,333 4.744,334 7.722,335 4.479,336 3.55,337 4.807,338 2.612,339 13.897,340 3.274,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.239,351 3.775,352 6.09,353 3.749,354 2.773,355 3.919,356 0.522,357 8.589,358 2.706,359 3.916,360 3.099,361 5.781,362 3.513,363 2.529,364 3.451,366 7.55,367 2.488,368 3.89,369 2.874,370 5.352,371 3.352,372 2.36,373 3.277,375 6.802,376 2.339,377 3.75,378 2.55,379 5.292,380 3.279,381 2.29,382 3.225,384 6.726,385 2.26,386 3.467,387 2.38,388 5.096,389 2.934,390 1.973,391 2.789,393 5.921,394 1.891,395 3.073,396 2.189,397 4.761,398 2.654,399 1.687,400 2.223,402 4.705,403 1.623,404 3.024,405 1.914,406 4.157,407 2.387,408 1.398,409 2.017,411 3.475,412 1.379,413 2.915,414 1.894,415 3.969,416 2.238,417 1.261,418 1.999,420 3.126,421 1.235,422 2.866,423 1.53,424 3.777,425 2.227,426 1.234,427 1.819,428 2.95,429 1.218,430 2.689,431 1.356,432 3.586,433 2.068,434 1.082,435 1.645,436 2.789,437 1.065,438 2.609,439 1.172,440 3.328,441 2,442 1,443 1.5,445 2.136,446 1,447 2.5,448 1,449 3.247,450 1.798,451 0.835,452 1.256,454 1.919,455 0.802,456 2.219,457 1,458 3.117,459 1.448,460 0.507,461 0.866,463 1.05,464 0.476,465 16.067,466 0.473,467 0.968,468 0.028,469 51.75,470 1.522,471 30.5,472 0.897,473 21.25,474 0.625,475 24.611,476 0.724,477 34.933,478 0.672,479 45.46,480 1.337,481 10.248,482 0.301,483 6.042,484 0.178,485 0.139,486 0.052,487 0.293,493 0.327,494 1.095,495 0.717,496 1.121,497 0.541,498 0.873,499 0.563,500 1.129,501 0.748,502 0.933,503 0.473,504 0.881,505 0.811,506 1.262,507 1.151,508 1.251,509 0.647,510 1.107,511 1.335,512 1.189,513 1.382,514 1.261,515 1.26,516 1.092,517 1.399,518 0.889,519 1.19,520 0.974,521 1.423,522 0.807,523 1.124,524 1.017,525 1.162,526 1.07,527 1.034,528 0.955,529 1.142,530 0.753,531 1.045,532 0.824,533 1.188,534 0.919,535 0.86,536 0.99,537 0.906,538 1.011,539 0.833,540 1.087,541 8,542 0.244,543 4.889,544 2.854,545 2.236,546 1.608,547 0.931,548 0.703,549 0.526,550 0.436,551 15198,552 52587,553 2.035,554 34.6,555 3,556 12,557 1,558 2,564 1.768,565 1.88,566 3.415,567 -0.671,573 93.813,574 1.804,575 3.798,576 4.672,577 5.234,578 5.34,579 5.34,580 2.795,581 4.631,582 5.06,583 3.594,584 2016.48,585 8.921,586 30518.8,591 296.423,592 1.611,593 4.999,594 0.216,595 0.006,596 0.092,597 0.051,598 0.043,599 0.03,600 0.016,601 0.013,602 0.01,603 0.008,604 0.486,605 0.17,606 0.75,607 0.832,608 179.686,609 0.28,610 0.036,611 0.198,612 -0.059,613 -0.045,614 -0.006,615 0.218,616 -0.065,617 0.101,618 0.033,619 0.203,620 0.008,621 -0.028,622 -0.201,623 -0.088,624 -0.171,625 0.046,626 -0.156,627 -0.218,628 -0.175,629 -0.149,630 -0.139,631 -0.151,632 -0.103,633 -0.139,634 0.137,635 0.059,636 0.129,637 -0.192,638 0.166,639 0.14,640 0.028,641 -0.098,642 -0.043,643 0.234,644 -0.071,645 -0.046,646 0.213,647 -0.099,648 0.132,649 -0.101,650 0.047,651 -0.07,652 -0.07,653 -0.061,654 -0.049,655 -0.074,656 -0.074,657 5.171,658 6.582,659 0.618,660 32.266,661 1.025,662 1.12,663 3.06,664 9.366,665 0.713,666 3.638,667 3.989,668 4.263,669 4.489,670 4.71,671 4.779,672 4.844,673 4.949,674 4.99,675 5.05,676 6.873,677 0.699,678 474.54,679 3.638,680 5.198,681 6.057,682 6.946,683 7.826,684 8.721,685 9.609,686 10.507,687 11.399,688 12.3,689 11.5,692 1,697 1,698 2,699 1,700 1,703 1,704 12,705 1,709 6,711 22,713 1,725 1,731 52,733 28,734 2,735 37,737 55,738 23,739 19,740 4,741 8,742 1,746 4,747 5,752 1,760 1,761 20,762 2,766 5,768 1,769 1,771 4,773 1,774 1,781 18,782 8,784 11,785 1,790 6,794 0.75,795 4,803 1,805 1,811 1,812 3,815 1,840 3,842 1,844 1,848 34,852 1,854 1,859 1,861 1,866 1,868 1,870 7.7,873 2,876 2,877 18.083,878 9.867,879 7.444,880 2.873,881 3.965,882 1.517,883 0.992,884 6.426,885 11.631,886 4.025,887 4.675,888 5.261,889 5.827,890 6.361,891 6.712,892 7.055,893 7.39,894 7.604,895 7.945,896 1,897 56,898 12.951,900 6.024,901 8.164,902 23.011,904 18.831,905 2.664,906 90.583,910 211.88,911 174.439,912 72.615,914 95.06,916 5.807,917 168.631,918 306.94,919 72.615,920 14.495,921 2.106,922 109.617,923 110.167,924 76.38,925 13.915,926 176.567,927 50.747,928 211.88,929 241.247,930 95.06,931 5.807,933 211.88,934 44.313,935 50.747,937 70.261,938 139.606,939 37.188,941 211.88,942 167.675,943 174.439,945 5.807,946 211.88,947 21.3,948 138.96,949 16.602,950 159.445,951 211.88,952 167.675,953 174.439,955 0.589,956 0.349,957 0.178,958 0.099,959 25,960 12,961 0.127,962 7,963 1,964 1.095,965 4.284,966 325.627,967 0.095,968 21,969 164.974,973 1,974 23.13,975 9.445,976 4.845,977 0.575,978 160.841,979 18.91,980 4.195,984 1.414,987 553.994,988 55,990 -0.644,991 -4.254,993 49.654,995 1.344,996 4.245,999 53.298,1000 58.239,1001 0.316,1002 0.666,1003 0.82,1004 0.918,1005 0.937,1006 0.937,1007 5.27,1008 1.687,1009 6.08,1010 5.921,1011 4.673,1012 5.364,1013 3.046,1014 6.95,1015 4.607,1016 6.534,1017 1.398,1018 7.688,1019 4.705,1020 4.443,1021 5.414,1022 2.361,1023 8.181,1024 4.308,1025 7.889,1026 1.261,1027 9.414,1028 3.475,1029 6.361,1030 7.717,1031 4.586,1032 11.27,1033 6.201,1034 9.287,1035 1.234,1036 11.215,1037 3.126,1038 6.967,1039 8.608,1040 4.506,1041 13.389,1042 6.711,1043 10.721,1044 1.082,1045 13.068,1046 2.95,1047 8.406,1048 10.412,1049 6.263,1050 16.111,1051 8.116,1052 12.183,1053 1,1054 14.959,1055 2.789,1056 9.373,1057 11.666,1058 6.556,1059 18.558,1060 8.977,1061 13.667,1062 0.835,1063 16.881,1064 2.136,1065 10.657,1066 13.297,1067 8.011,1068 21.199,1069 10.208,1070 3.55,1071 0.507,1072 18.826,1073 1.919,1074 11.78,1075 14.711,1076 8.548,1077 23.761,1078 11.229,1079 3.091,1080 13.897,1081 20.79,1082 1.05,1083 13.022,1084 16.282,1085 9.813,1086 26.387,1087 12.401,1088 2.773,1089 10.36,1090 22.769,1091 4.807,1092 14.214,1093 17.768,1094 10.509,1095 28.99,1096 13.494,1097 2.529,1098 8.589,1099 24.761,1100 4.519,1101 15.45,1102 19.32,1103 11.655,1104 31.615,1105 14.65,1106 2.36,1107 7.55,1108 26.763,1109 3.919,1110 16.673,1111 20.84,1112 12.452,1113 34.235,1114 15.779,1115 2.29,1116 6.802,1117 28.773,1118 3.451,1119 17.914,1120 22.387,1121 13.525,1122 36.862,1123 16.935,1124 1.973,1125 6.726,1126 30.789,1127 3.277,1128 19.153,1129 23.923,1130 14.386,1131 39.488,1132 18.082,1133 14652,1134 27480,1135 24.156,1136 37.068,1137 57.628,1138 60.757,1139 57.822,1140 55.694,1141 55.711,1142 79.535,1143 10.337,1144 165.027,1145 54.03,1146 5.839,1147 6.744,1148 7.524,1149 5.545,1150 5.55,1151 7.807,1152 4.647,1153 22.18,1154 5.274,1155 18.747,1156 1.558,1157 1.642,1158 1.563,1159 1.505,1160 1.506,1161 2.15,1162 0.279,1163 4.46,1164 1.46,1165 4.152,1166 4.182,1167 4.743,1168 4.094,1169 7.815,1170 4.038,1171 4.083,1172 4.091,1173 4.089,1174 3.97,1175 7.715,1176 3.975,1177 3.903,1178 3.936,1179 3.882,1180 3.838,1181 6.999,1182 3.83,1183 3.763,1184 3.754,1185 3.82,1186 3.603,1187 6.999,1188 3.554,1189 3.52,1190 3.559,1191 3.479,1192 3.394,1193 6.82,1194 3.399,1195 3.456,1196 3.489,1197 3.431,1198 3.152,1199 5.072,1200 3.199,1201 3.203,1202 3.249,1203 3.187,1204 3.011,1205 4.76,1206 3.008,1207 3.085,1208 3.147,1209 2.976,1210 2.919,1211 4.642,1212 2.933,1213 0.134,1214 0.128,1215 0.209,1216 0.121,1217 0.096,1218 4.967,1219 0.13,1220 4.744,1221 0.071,1222 7.722,1223 0.376,1224 4.479,1225 0.088,1226 3.55,1227 4.807,1228 2.612,1229 13.897,1230 3.274,1231 1.999,1232 2.002,1233 2.041,1234 2.113,1235 1.252,1236 2.114,1237 1.922,1238 1.89,1239 2.015,1240 2.06,1241 1.14,1242 2.039,1243 1.901,1244 1.872,1245 1.99,1246 1.999,1247 1.106,1248 2.006,1249 1.576,1250 1.567,1251 1.642,1252 1.812,1253 0.768,1254 1.785,1255 1.441,1256 1.43,1257 1.565,1258 1.693,1259 0.633,1260 1.648,1261 1.309,1262 1.257,1263 1.48,1264 1.562,1265 0.612,1266 1.573,1267 1.148,1268 1.088,1269 1.211,1270 1.386,1271 0.45,1272 1.352,1273 1.1,1274 1.057,1275 1.181,1276 1.299,1277 0.218,1278 1.32,1279 4.317,1281 5.659,1282 2.398,1283 7.197,1284 4.727,1285 8.821,1286 6.823,1287 10.493,1289 1.565,1295 -0.093,1300 0.895,1303 9.179,1304 2.053,1305 36.335,1306 93.813,1307 197.488,1308 242.939,1309 272.158,1310 277.668,1311 277.668,1312 89.245,1313 7.666,1314 136.65,1315 145.03,1316 23,1317 12.823,1318 4.858,1319 4.248,1320 56.387,1321 132,1322 157,1323 0.194,1324 228.719,1325 396.13,1326 549.834,1327 21372,1329 24.294,1330 0.715,1331 0.552,1332 24.544,1333 18.754,1334 16.29,1335 0.44,1336 0.31,1337 9.997,1338 14.814,1339 9.639,1340 8.03,1341 17.079,1342 11.466,1343 15.085,1344 0.285,1345 0.173,1346 16.385,1347 9.191,1348 12.663,1349 0.181,1350 0.098,1351 14,1352 6.879,1353 10,1354 0.114,1355 0.054,1356 11.25,1357 4.778,1358 8.012,1359 0.073,1360 0.03,1361 9.132,1362 3.291,1363 0.3,1364 110.915,1365 0.203,1366 30.965,1367 0.551,1368 180,1369 631.673,1370 239.893,1371 634.738,1372 848.03,1373 580,1374 213,1375 600.971,1376 283.323,1377 640.589,1378 923.43,1379 597,1380 7.569}
{0 CHEMBL1928557,1 1.835,2 11.063,3 3.259,4 10.62,5 122.34,6 8.595,7 0.471,8 4.083,9 4.19,10 3.895,11 3.605,12 5.309,13 3.587,14 4.603,15 4.77,16 4.202,17 3.972,18 5.994,19 3.955,20 4.795,21 4.954,22 4.306,23 4.156,24 6.104,25 4.1,26 5.004,27 5.21,28 4.289,29 4.143,30 6.289,31 4.08,32 4.928,33 5.134,34 4.308,35 4.032,36 6.24,37 4.002,38 4.825,39 4.973,40 4.321,41 4.065,42 6.47,43 4.048,44 4.984,45 5.177,46 4.158,47 4.112,48 6.342,49 4.06,50 4.911,51 5.13,52 4.119,53 4.145,54 6.037,55 4.068,56 0.243,57 0.874,58 11.156,59 4.676,60 17.205,61 5.369,62 0.631,63 1.315,64 19.995,65 6.939,66 83.079,67 8.615,68 0.523,69 1.575,70 25.778,71 9.878,72 44.87,73 11.239,74 0.892,75 1.684,76 41.993,77 12.081,78 126.624,79 14.118,80 1.15,81 1.519,82 36.089,83 9.805,84 145.019,85 11.193,86 0.998,87 1.52,88 31.537,89 9.155,90 154.478,91 10.095,92 1.172,93 1.576,94 32.81,95 10.405,96 170.539,97 12.395,98 0.719,99 1.571,100 30.633,101 10.942,102 80.525,103 13.979,104 76,105 49,106 0.299,107 0.652,108 0.793,109 0.841,110 0.841,111 0.841,112 3.503,113 0.963,114 -3.12,115 -3.12,116 -3,119 37.7,120 1,124 2,125 2,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 8,183 6,186 3,187 17,195 4,198 3,199 13,207 1,211 8,212 13,223 8,224 8,232 2,236 7,237 5,245 2,249 4,250 9,258 3,262 2,263 9,271 4,275 1954,276 20.78,277 20.78,278 20.78,279 20.78,280 20.78,281 18.108,282 18.712,283 11.921,284 21.236,285 16.646,286 16.646,287 16.646,288 16.646,289 16.646,290 12.394,291 15.804,292 5.521,293 17.387,294 3.893,295 1.73,296 0.866,297 0.571,298 0.571,299 0.571,300 4.176,304 1,305 1,306 735,307 4.848,310 80.626,311 216.755,314 148.998,318 1.445,319 53.144,322 0.75,323 0.67,324 0.83,325 0.7,327 0.67,328 1,329 0.66,330 71.5,331 354,332 4.966,333 4.743,334 7.721,335 4.476,336 3.548,337 4.806,338 2.612,339 13.887,340 3.269,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.237,351 3.775,352 6.081,353 3.739,354 2.764,355 3.918,356 0.8,357 8.551,358 2.694,359 3.894,360 3.098,361 5.766,362 3.365,363 2.387,364 3.279,366 7.328,367 2.343,368 3.771,369 2.73,370 5.292,371 3.32,372 2.338,373 3.232,375 6.728,376 2.289,377 3.472,378 2.542,379 5.098,380 3.117,381 2.191,382 2.791,384 5.926,385 2.02,386 3.249,387 2.385,388 4.873,389 2.933,390 1.973,391 2.29,393 5.347,394 1.889,395 3.024,396 2.227,397 4.598,398 2.629,399 1.679,400 2.087,402 4.663,403 1.584,404 3.009,405 1.935,406 4.157,407 2.243,408 1.274,409 2.013,411 3.473,412 1.236,413 2.914,414 1.902,415 3.968,416 2.233,417 1.235,418 1.841,420 3.058,421 1.228,422 2.701,423 1.394,424 3.776,425 2.085,426 1.095,427 1.652,428 2.818,429 1.082,430 2.617,431 1.175,432 3.34,433 1.852,434 0.903,435 1.298,436 2.029,437 0.855,438 2.293,439 1.099,440 3.127,441 1.607,442 0.644,443 0.971,445 1.408,446 0.619,447 1.988,448 1,449 3.021,450 1.33,451 0.387,452 0.616,454 0.644,455 0.364,456 1.273,457 0.693,458 2.785,459 0.991,460 0.032,461 0.041,463 0.074,464 0.031,465 14.967,466 0.468,467 1.044,468 0.033,469 45,470 1.406,471 24.5,472 0.766,473 20.5,474 0.641,475 25.469,476 0.796,477 34.833,478 0.657,479 40.376,480 1.262,481 8.945,482 0.28,483 6.183,484 0.193,485 0.216,486 0.056,487 0.307,493 0.377,494 1.375,495 0.75,496 1.285,497 0.543,498 1.001,499 0.687,500 1.038,501 0.727,502 0.783,503 0.454,504 0.73,505 0.829,506 1.246,507 1.149,508 1.269,509 0.647,510 1.122,511 1.177,512 1.142,513 1.303,514 1.281,515 1.16,516 1.026,517 1.379,518 0.814,519 1.017,520 0.794,521 1.479,522 0.751,523 0.99,524 1.219,525 1.414,526 1.391,527 0.824,528 1.089,529 1.361,530 0.908,531 1.088,532 0.877,533 1.439,534 1.053,535 0.819,536 0.811,537 0.86,538 0.88,539 0.705,540 0.962,541 8.5,542 0.223,543 5.111,544 2.792,545 2.084,546 1.712,547 0.808,548 0.713,549 0.509,550 0.481,551 12347,552 43497,553 1.951,554 39.6,555 3,556 15,557 1,558 2,564 1.752,565 1.77,566 3.406,567 -0.619,569 1,573 97.251,574 1.835,575 3.997,576 4.862,577 5.157,578 5.157,579 5.157,580 2.807,581 4.563,582 4.972,583 3.589,584 1779.96,585 8.737,586 25870.6,591 303.58,592 1.709,593 4.888,594 0.25,595 0.007,596 0.104,597 0.054,598 0.043,599 0.036,600 0.016,601 0.016,602 0.011,603 0.011,604 0.546,605 0.33,606 0.88,607 1.289,608 166.44,609 0.258,610 -0.121,611 0.208,612 -0.12,613 -0.041,614 -0.048,615 0.147,616 0.082,617 0.184,618 0.214,619 0.225,620 0.209,621 -0.042,622 -0.115,623 -0.094,624 -0.134,625 0.047,626 -0.143,627 -0.128,628 -0.161,629 -0.059,630 -0.127,631 -0.098,632 -0.007,633 -0.103,634 0.154,635 0.123,636 0.217,637 -0.216,638 0.192,639 0.16,640 -0.098,641 -0.207,642 -0.228,643 0.32,644 -0.164,645 -0.151,646 0.03,647 -0.183,648 0.031,649 -0.196,650 -0.113,651 -0.03,652 0.147,653 0.024,654 0.075,655 -0.017,656 0.063,657 5.095,658 6.371,659 0.469,660 30.125,661 1.024,662 1.135,663 1.89,664 3.573,665 0.676,666 3.555,667 3.912,668 4.159,669 4.369,670 4.575,671 4.682,672 4.682,673 4.762,674 4.745,675 4.779,676 6.757,677 0.658,678 455.55,679 3.555,680 5.118,681 5.969,682 6.86,683 7.737,684 8.634,685 9.52,686 10.42,687 11.31,688 12.213,689 13.2,692 2,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 53,733 22,734 1,735 34,737 55,738 20,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 5,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 21,782 9,784 12,785 1,790 7,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,836 1,840 2,842 1,844 3,848 32,852 1,854 2,859 2,861 1,866 1,868 1,870 7.5,873 2,876 2,877 18.083,878 10.65,879 7.028,880 2.887,881 3.877,882 1.523,883 0.955,884 6.905,885 11.295,886 3.912,887 4.551,888 5.123,889 5.69,890 6.209,891 6.628,892 6.946,893 7.251,894 7.39,895 7.697,896 1,897 52,898 12.189,900 5.567,901 8.201,902 21.639,904 17.347,905 2.701,906 86.417,909 1,910 247.193,911 142.77,912 75.74,914 95.06,916 5.807,917 136.963,918 342.253,919 75.74,920 31.288,921 4.211,922 62.236,923 110.167,924 76.318,925 13.915,926 211.88,927 50.747,928 247.193,929 212.703,930 95.06,931 5.807,933 247.193,934 44.313,935 50.747,937 75.491,938 105.832,939 37.188,941 247.193,942 170.8,943 142.77,945 5.807,946 247.193,947 20.22,948 111.496,949 16.602,950 159.445,951 247.193,952 170.8,953 142.77,955 0.592,956 0.34,957 0.169,958 0.095,959 22,960 12,961 0.145,962 8,963 1,964 1.133,965 4.051,966 290.608,967 0.133,968 15,969 152,973 1,974 23.366,975 9.456,976 5.141,977 0.587,978 163.966,979 10.059,980 4.177,984 0.807,987 560.763,988 49,990 -0.641,991 -4.178,993 49.068,995 1.351,996 4.195,999 54.283,1000 60.152,1001 0.32,1002 0.698,1003 0.849,1004 0.9,1005 0.9,1006 0.9,1007 5.17,1008 1.679,1009 6.009,1010 5.347,1011 4.595,1012 5.239,1013 3.065,1014 6.887,1015 4.51,1016 6.439,1017 1.274,1018 7.628,1019 4.663,1020 4.443,1021 5.38,1022 2.396,1023 8.155,1024 4.285,1025 7.801,1026 1.235,1027 9.363,1028 3.473,1029 6.297,1030 7.606,1031 4.59,1032 11.232,1033 6.106,1034 9.207,1035 1.095,1036 11.172,1037 3.058,1038 6.948,1039 8.57,1040 4.51,1041 13.371,1042 6.667,1043 10.649,1044 0.903,1045 13.032,1046 2.818,1047 8.358,1048 10.336,1049 6.264,1050 16.093,1051 8.035,1052 12.118,1053 0.644,1054 14.929,1055 2.029,1056 9.348,1057 11.636,1058 6.556,1059 18.547,1060 8.929,1061 13.609,1062 0.387,1063 16.856,1064 1.408,1065 10.622,1066 13.25,1067 8.011,1068 21.188,1069 10.144,1070 3.548,1071 0.032,1072 18.806,1073 0.644,1074 11.758,1075 14.691,1076 8.548,1077 23.752,1078 11.184,1079 3.091,1080 13.887,1081 20.773,1082 0.074,1083 12.997,1084 16.255,1085 9.813,1086 26.378,1087 12.351,1088 2.764,1089 10.36,1090 22.756,1091 4.806,1092 14.195,1093 17.755,1094 10.509,1095 28.982,1096 13.455,1097 2.387,1098 8.551,1099 24.75,1100 4.519,1101 15.431,1102 19.305,1103 11.655,1104 31.606,1105 14.61,1106 2.338,1107 7.328,1108 26.754,1109 3.918,1110 16.657,1111 20.831,1112 12.452,1113 34.225,1114 15.745,1115 2.191,1116 6.728,1117 28.765,1118 3.279,1119 17.898,1120 22.378,1121 13.525,1122 36.852,1123 16.901,1124 1.973,1125 5.926,1126 30.783,1127 3.232,1128 19.138,1129 23.917,1130 14.386,1131 39.477,1132 18.051,1133 12312,1134 23330,1135 21.383,1136 35.835,1137 53.04,1138 56.141,1139 54.02,1140 51.105,1141 51.085,1142 70.705,1143 10.894,1144 152.588,1145 48.985,1146 5.867,1147 6.743,1148 7.27,1149 5.542,1150 5.548,1151 7.806,1152 4.647,1153 22.144,1154 5.269,1155 21.024,1156 1.56,1157 1.651,1158 1.589,1159 1.503,1160 1.503,1161 2.08,1162 0.32,1163 4.488,1164 1.441,1165 4.149,1166 4.18,1167 4.743,1168 4.089,1169 7.815,1170 4.032,1171 4.081,1172 4.088,1173 4.088,1174 3.97,1175 7.715,1176 3.974,1177 3.807,1178 3.834,1179 3.881,1180 3.628,1181 6.999,1182 3.597,1183 3.629,1184 3.683,1185 3.526,1186 3.403,1187 6.999,1188 3.401,1189 3.515,1190 3.558,1191 3.463,1192 3.392,1193 6.82,1194 3.389,1195 3.451,1196 3.486,1197 3.428,1198 3.148,1199 5.071,1200 3.191,1201 3.204,1202 3.256,1203 3.167,1204 2.973,1205 4.65,1206 2.989,1207 3.099,1208 3.183,1209 2.937,1210 2.903,1211 4.57,1212 2.895,1213 0.146,1214 0.14,1215 0.227,1216 0.132,1217 0.104,1218 4.966,1219 0.141,1220 4.743,1221 0.077,1222 7.721,1223 0.408,1224 4.476,1225 0.096,1226 3.548,1227 4.806,1228 2.612,1229 13.887,1230 3.269,1231 1.994,1232 1.998,1233 2.021,1234 2.112,1235 1.254,1236 2.111,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.119,1242 2.038,1243 1.677,1244 1.631,1245 1.891,1246 1.927,1247 1.103,1248 1.919,1249 1.522,1250 1.465,1251 1.649,1252 1.782,1253 0.764,1254 1.761,1255 1.43,1256 1.424,1257 1.565,1258 1.691,1259 0.643,1260 1.647,1261 1.307,1262 1.253,1263 1.556,1264 1.567,1265 0.614,1266 1.578,1267 1.148,1268 1.087,1269 1.417,1270 1.386,1271 0.516,1272 1.408,1273 1.126,1274 1.054,1275 1.22,1276 1.353,1277 0.469,1278 1.342,1279 4.234,1281 5.58,1282 2.398,1283 7.112,1284 4.727,1285 8.734,1286 6.823,1287 10.406,1289 5.155,1295 0.397,1300 2.712,1303 9.132,1304 2.048,1305 34.884,1306 97.251,1307 211.864,1308 257.705,1309 273.315,1310 273.315,1311 273.315,1312 97.25,1313 7.419,1314 139.89,1315 148.27,1316 17,1317 12.736,1318 4.524,1319 4,1320 60.764,1321 124,1322 141,1323 0.228,1324 222.912,1325 386.41,1326 535.664,1327 16013,1329 23.466,1330 0.733,1331 0.579,1332 23.716,1333 18.521,1334 15.128,1335 0.445,1336 0.321,1337 9.403,1338 13.528,1339 8.969,1340 7.527,1341 15.917,1342 10.912,1343 14.316,1344 0.292,1345 0.185,1346 15.617,1347 9.074,1348 11.413,1349 0.181,1350 0.103,1351 12.763,1352 6.51,1353 8.804,1354 0.113,1355 0.056,1356 10.047,1357 4.379,1358 6.883,1359 0.072,1360 0.031,1361 7.93,1362 3.015,1363 0.353,1364 104.726,1365 0.216,1366 29.522,1367 0.643,1368 166,1369 605.318,1370 227.308,1371 603.981,1372 798.56,1373 550,1374 195,1375 558.379,1376 267.016,1377 597.713,1378 858.24,1379 553,1380 7.114}
{0 CHEMBL1928558,1 1.783,2 11.176,3 3.957,4 15.654,5 131.836,6 8.197,7 0.444,8 4.176,9 4.289,10 3.942,11 3.696,12 5.357,13 3.668,14 4.71,15 4.886,16 4.246,17 4.059,18 6.043,19 4.027,20 4.929,21 5.123,22 4.363,23 4.241,24 6.155,25 4.179,26 5.082,27 5.271,28 4.348,29 4.27,30 6.34,31 4.194,32 5.142,33 5.383,34 4.355,35 4.192,36 6.332,37 4.118,38 5.011,39 5.212,40 4.419,41 4.183,42 6.505,43 4.14,44 5.071,45 5.254,46 4.31,47 4.246,48 6.431,49 4.191,50 5.091,51 5.295,52 4.241,53 4.303,54 6.267,55 4.23,56 0.239,57 0.95,58 13.375,59 5.325,60 18.975,61 6.47,62 0.6,63 1.443,64 23.578,65 8.051,66 84.455,67 10.609,68 0.587,69 1.739,70 33.115,71 11.002,72 55.935,73 13.639,74 0.763,75 1.865,76 42.991,77 13.142,78 113.046,79 15.813,80 1.199,81 1.797,82 46.819,83 12.775,84 154.156,85 16.472,86 1.122,87 1.742,88 40.771,89 10.935,90 178.735,91 13.762,92 1.108,93 1.787,94 41.723,95 12.125,96 155.68,97 14.227,98 0.918,99 1.812,100 37.38,101 12.865,102 128.934,103 16.095,104 84,105 51,106 0.285,107 0.618,108 0.768,109 0.832,110 0.832,111 0.832,112 3.561,113 1.005,114 -3.56,115 -3.54,116 -3.37,119 37.3,120 3,125 4,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 10,183 6,186 3,187 17,195 4,198 3,199 13,207 2,211 8,212 15,223 8,224 10,232 2,236 7,237 9,245 2,249 4,250 9,258 9,262 2,263 9,271 8,275 2406,276 22.521,277 22.521,278 22.521,279 22.521,280 22.521,281 19.849,282 21.874,283 12.882,284 23.049,285 17.485,286 17.485,287 17.485,288 17.485,289 17.485,290 13.232,291 19.34,292 5.78,293 18.272,294 4.099,295 2.019,296 1.083,297 0.682,298 0.682,299 0.682,300 4.235,305 1,306 785,307 5.05,310 87.638,311 235.127,314 161.89,318 1.481,319 54.542,322 0.75,323 0.5,324 0.67,325 0.7,326 0.5,327 0.67,328 1,329 0.68,330 75.5,331 380,332 4.966,333 4.743,334 7.721,335 4.476,336 3.548,337 4.806,338 2.612,339 13.887,340 3.269,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.237,351 3.775,352 6.081,353 3.74,354 2.765,355 3.918,356 0.8,357 8.552,358 2.694,359 3.894,360 3.098,361 5.766,362 3.392,363 2.459,364 3.279,366 7.341,367 2.344,368 3.772,369 2.818,370 5.292,371 3.347,372 2.365,373 3.232,375 6.728,376 2.3,377 3.481,378 2.654,379 5.274,380 3.283,381 2.311,382 2.791,384 6.633,385 2.212,386 3.433,387 2.387,388 5.097,389 2.937,390 1.976,391 2.455,393 5.924,394 1.893,395 3.047,396 2.239,397 4.823,398 2.663,399 1.709,400 2.15,402 4.891,403 1.619,404 3.024,405 1.943,406 4.157,407 2.246,408 1.277,409 2.013,411 3.477,412 1.237,413 2.914,414 1.902,415 3.981,416 2.234,417 1.235,418 1.849,420 3.069,421 1.231,422 2.705,423 1.401,424 3.778,425 2.093,426 1.102,427 1.654,428 2.823,429 1.09,430 2.62,431 1.179,432 3.359,433 1.893,434 0.944,435 1.318,436 2.095,437 0.894,438 2.326,439 1.138,440 3.208,441 1.682,442 0.708,443 1.018,445 1.545,446 0.688,447 2.014,448 1,449 3.1,450 1.591,451 0.618,452 0.675,454 0.791,455 0.6,456 1.618,457 0.744,458 2.795,459 1.365,460 0.424,461 0.618,463 0.714,464 0.397,465 15.967,466 0.47,467 0.968,468 0.028,469 46,470 1.353,471 24.5,472 0.721,473 21.5,474 0.632,475 30.123,476 0.886,477 37.433,478 0.634,479 41.305,480 1.215,481 8.912,482 0.262,483 7.293,484 0.214,485 0.203,486 0.052,487 0.288,493 0.375,494 1.386,495 0.771,496 1.294,497 0.536,498 1.034,499 0.648,500 1.159,501 0.744,502 0.893,503 0.441,504 0.836,505 0.856,506 1.074,507 1.049,508 1.056,509 0.602,510 0.924,511 1.181,512 1.277,513 1.371,514 1.419,515 1.168,516 1.196,517 1.155,518 0.85,519 0.91,520 0.821,521 1.26,522 0.789,523 0.923,524 1.027,525 1.122,526 1.061,527 0.753,528 0.842,529 1.403,530 0.999,531 1.417,532 1.144,533 1.399,534 1.059,535 1.239,536 0.792,537 0.993,538 0.852,539 1.205,540 0.981,541 8.5,542 0.354,543 5.333,544 2.917,545 2.084,546 1.712,547 0.971,548 0.713,549 0.558,550 0.501,551 14405,552 47435,553 1.954,554 42.4,555 3,556 13,557 1,558 2,561 6,564 1.769,565 1.782,566 3.41,567 -0.642,573 105.221,574 1.783,575 3.864,576 4.8,577 5.2,578 5.2,579 5.2,580 2.802,581 4.653,582 5.059,583 3.611,584 2025.66,585 8.922,586 31056,591 347.076,592 1.681,593 4.982,594 0.236,595 0.008,596 0.105,597 0.052,598 0.04,599 0.034,600 0.017,601 0.013,602 0.011,603 0.009,604 0.526,605 0.33,606 0.75,607 1.453,608 180.257,609 0.265,610 -0.113,611 0.203,612 -0.11,613 -0.032,614 -0.043,615 0.182,616 -0.035,617 0.177,618 0.117,619 0.23,620 0.125,621 -0.034,622 0.039,623 0.031,624 0.047,625 0.083,626 0.065,627 -0.137,628 -0.238,629 -0.182,630 -0.263,631 -0.101,632 -0.198,633 0.012,634 0.068,635 0.201,636 0.17,637 -0.124,638 0.19,639 0.209,640 0.029,641 0.095,642 0.045,643 0.316,644 0.117,645 -0.149,646 0.041,647 -0.281,648 -0.066,649 -0.125,650 -0.114,651 -0.193,652 0.171,653 -0.113,654 0.097,655 -0.175,656 0.001,657 5.111,658 6.548,659 0.441,660 33.941,661 1.018,662 1.135,663 2.332,664 5.439,665 0.667,666 3.611,667 3.951,668 4.22,669 4.407,670 4.595,671 4.718,672 4.754,673 4.812,674 4.828,675 4.875,676 6.989,677 0.643,678 483.61,679 3.611,680 5.165,681 6.019,682 6.903,683 7.779,684 8.671,685 9.556,686 10.453,687 11.342,688 12.242,689 11.9,692 2,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 59,733 22,734 1,735 36,737 61,738 22,739 13,740 3,741 3,742 1,746 3,747 4,752 3,760 1,761 14,762 7,766 5,768 1,769 1,771 4,773 1,774 1,781 25,782 9,784 12,785 1,790 7,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,836 1,840 2,842 1,844 3,848 34,852 1,854 4,859 2,861 1,866 1,868 1,870 6.8,873 2,876 2,877 19.083,878 11.65,879 7.694,880 3.687,881 3.819,882 1.509,883 0.95,884 8.01,885 11.317,886 3.951,887 4.572,888 5.147,889 5.7,890 6.213,891 6.633,892 6.959,893 7.258,894 7.404,895 7.717,896 1,897 56,898 12.966,900 5.87,901 8.13,902 23.272,904 18.656,905 2.63,906 89.417,910 294.278,911 147.839,912 75.74,914 95.06,916 5.807,917 142.032,918 389.337,919 75.74,920 32.146,921 8.423,922 62.236,923 110.167,924 76.318,925 13.915,926 258.964,927 50.747,928 294.278,929 217.772,930 95.06,931 5.807,933 223.651,934 114.94,935 50.747,937 97.353,938 89.039,939 37.188,941 294.278,942 170.8,943 147.839,945 5.807,946 294.278,947 24.431,948 112.353,949 16.602,950 159.445,951 294.278,952 170.8,953 147.839,955 0.584,956 0.353,957 0.172,958 0.089,959 22,960 12,961 0.164,962 10,963 1,964 1.133,965 4.201,966 314.724,967 0.133,968 15,969 164.974,973 1,974 25.327,975 10.753,976 5.623,977 0.593,978 163.966,979 10.135,980 4.203,984 0.841,987 612.917,988 51,990 -0.631,991 -4.194,993 49.577,995 1.371,996 4.264,999 60.051,1000 66.983,1001 0.303,1002 0.657,1003 0.816,1004 0.884,1005 0.884,1006 0.884,1007 5.204,1008 1.709,1009 6.047,1010 5.924,1011 4.635,1012 5.26,1013 3.065,1014 6.921,1015 4.548,1016 6.461,1017 1.277,1018 7.664,1019 4.891,1020 4.443,1021 5.38,1022 2.396,1023 8.181,1024 4.285,1025 7.82,1026 1.235,1027 9.397,1028 3.477,1029 6.333,1030 7.616,1031 4.59,1032 11.253,1033 6.139,1034 9.223,1035 1.102,1036 11.202,1037 3.069,1038 6.967,1039 8.574,1040 4.51,1041 13.383,1042 6.684,1043 10.663,1044 0.944,1045 13.058,1046 2.823,1047 8.385,1048 10.339,1049 6.264,1050 16.1,1051 8.058,1052 12.13,1053 0.708,1054 14.952,1055 2.095,1056 9.367,1057 11.638,1058 6.556,1059 18.551,1060 8.944,1061 13.619,1062 0.618,1063 16.874,1064 1.545,1065 10.641,1066 13.252,1067 8.011,1068 21.191,1069 10.159,1070 3.548,1071 0.424,1072 18.82,1073 0.791,1074 11.771,1075 14.691,1076 8.548,1077 23.754,1078 11.195,1079 3.091,1080 13.887,1081 20.785,1082 0.714,1083 13.008,1084 16.256,1085 9.813,1086 26.379,1087 12.36,1088 2.765,1089 10.36,1090 22.765,1091 4.806,1092 14.203,1093 17.755,1094 10.509,1095 28.982,1096 13.462,1097 2.459,1098 8.552,1099 24.757,1100 4.519,1101 15.437,1102 19.305,1103 11.655,1104 31.607,1105 14.616,1106 2.365,1107 7.341,1108 26.759,1109 3.918,1110 16.661,1111 20.831,1112 12.452,1113 34.225,1114 15.749,1115 2.311,1116 6.728,1117 28.769,1118 3.279,1119 17.901,1120 22.378,1121 13.525,1122 36.852,1123 16.904,1124 1.976,1125 6.633,1126 30.785,1127 3.232,1128 19.14,1129 23.917,1130 14.386,1131 39.477,1132 18.053,1133 14396,1134 26414,1135 22.77,1136 39.358,1137 54.842,1138 58.305,1139 57.033,1140 53.389,1141 53.394,1142 73.036,1143 10.894,1144 158.296,1145 51.232,1146 5.892,1147 6.743,1148 7.339,1149 5.543,1150 5.548,1151 7.806,1152 4.647,1153 22.144,1154 5.269,1155 21.954,1156 1.523,1157 1.62,1158 1.584,1159 1.483,1160 1.483,1161 2.029,1162 0.303,1163 4.397,1164 1.423,1165 4.15,1166 4.18,1167 4.743,1168 4.089,1169 7.815,1170 4.033,1171 4.081,1172 4.088,1173 4.088,1174 3.97,1175 7.715,1176 3.974,1177 3.814,1178 3.857,1179 3.881,1180 3.633,1181 6.999,1182 3.61,1183 3.705,1184 3.741,1185 3.599,1186 3.51,1187 6.999,1188 3.491,1189 3.521,1190 3.561,1191 3.477,1192 3.394,1193 6.82,1194 3.399,1195 3.459,1196 3.498,1197 3.431,1198 3.157,1199 5.071,1200 3.203,1201 3.306,1202 3.407,1203 3.199,1204 3.123,1205 4.65,1206 3.089,1207 3.262,1208 3.308,1209 3.04,1210 3.084,1211 4.569,1212 3.055,1213 0.138,1214 0.132,1215 0.214,1216 0.124,1217 0.099,1218 4.966,1219 0.133,1220 4.743,1221 0.073,1222 7.721,1223 0.386,1224 4.476,1225 0.091,1226 3.548,1227 4.806,1228 2.612,1229 13.887,1230 3.269,1231 1.994,1232 1.998,1233 2.021,1234 2.112,1235 1.267,1236 2.111,1237 1.921,1238 1.889,1239 1.992,1240 2.059,1241 1.19,1242 2.039,1243 1.721,1244 1.658,1245 1.956,1246 1.956,1247 1.107,1248 1.957,1249 1.574,1250 1.542,1251 1.725,1252 1.82,1253 0.947,1254 1.804,1255 1.448,1256 1.431,1257 1.706,1258 1.698,1259 0.869,1260 1.648,1261 1.351,1262 1.267,1263 1.597,1264 1.592,1265 0.654,1266 1.638,1267 1.323,1268 1.256,1269 1.565,1270 1.584,1271 0.615,1272 1.599,1273 1.212,1274 1.167,1275 1.228,1276 1.414,1277 0.54,1278 1.468,1279 4.29,1281 5.624,1282 2.398,1283 7.154,1284 4.727,1285 8.772,1286 6.823,1287 10.44,1289 5.53,1295 1.931,1300 3.002,1303 9.179,1304 2.061,1305 37.937,1306 105.221,1307 227.979,1308 283.202,1309 306.811,1310 306.811,1311 306.811,1312 107.737,1313 7.498,1314 139.89,1315 148.27,1316 17,1317 12.766,1318 4.524,1319 4,1320 66.741,1321 134,1322 157,1323 0.227,1324 242.096,1325 421.01,1326 582.475,1327 17471,1329 24.88,1330 0.732,1331 0.586,1332 25.13,1333 19.935,1334 16.204,1335 0.45,1336 0.335,1337 10.564,1338 14.602,1339 10.138,1340 8.476,1341 16.993,1342 12.065,1343 14.605,1344 0.286,1345 0.182,1346 15.905,1347 9.298,1348 12.399,1349 0.185,1350 0.109,1351 13.748,1352 7.273,1353 9.403,1354 0.116,1355 0.06,1356 10.646,1357 4.861,1358 7.001,1359 0.071,1360 0.031,1361 8.024,1362 3.058,1363 0.351,1364 111.013,1365 0.21,1366 31.024,1367 0.642,1368 174,1369 613.318,1370 235.974,1371 610.826,1372 812.66,1373 558,1374 205,1375 573.083,1376 277.349,1377 608.173,1378 877.94,1379 567,1380 7.086}
{0 CHEMBL1928559,1 1.834,2 11.257,3 2.947,4 8.682,5 131.415,6 8.579,7 0.421,8 4.188,9 4.289,10 3.989,11 3.7,12 5.371,13 3.691,14 4.739,15 4.893,16 4.3,17 4.081,18 6.079,19 4.068,20 4.962,21 5.142,22 4.39,23 4.261,24 6.188,25 4.205,26 5.082,27 5.278,28 4.348,29 4.249,30 6.329,31 4.178,32 5.076,33 5.3,34 4.366,35 4.139,36 6.305,37 4.092,38 4.944,39 5.111,40 4.437,41 4.156,42 6.495,43 4.134,44 5.063,45 5.24,46 4.368,47 4.236,48 6.411,49 4.196,50 5.075,51 5.268,52 4.316,53 4.291,54 6.305,55 4.239,56 0.267,57 0.948,58 12.083,59 5.238,60 21.884,61 5.93,62 0.746,63 1.462,64 22.371,65 8.039,66 90.519,67 9.642,68 0.784,69 1.771,70 32.326,71 11.315,72 61.332,73 13.23,74 0.921,75 1.848,76 42.887,77 13.198,78 123.209,79 15.496,80 1.312,81 1.71,82 42.971,83 11.737,84 157.48,85 14.203,86 1.178,87 1.681,88 35.308,89 10.071,90 171.097,91 11.505,92 1.234,93 1.769,94 39.17,95 11.856,96 166.653,97 13.363,98 1.139,99 1.787,100 35.307,101 12.522,102 130.571,103 15.153,104 41,105 54,106 0.293,107 0.639,108 0.782,109 0.847,110 0.847,111 0.847,112 3.589,113 0.965,114 -2.85,115 -2.85,116 -2.76,119 37.9,120 1,125 6,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 8,183 6,186 4,187 17,195 4,198 3,199 13,207 1,211 8,212 13,223 9,224 8,232 2,236 8,237 5,245 2,249 6,250 9,258 3,262 2,263 12,271 4,275 2638,276 23.349,277 23.349,278 23.349,279 23.349,280 23.349,281 20.677,282 22.65,283 13.573,284 23.966,285 18.646,286 18.646,287 18.646,288 18.646,289 18.646,290 14.394,291 20.88,292 6.322,293 19.628,294 4.024,295 1.866,296 0.972,297 0.565,298 0.565,299 0.565,300 4.278,305 1,306 839,307 4.583,310 88.462,311 370.689,314 163.748,318 1.522,319 58.693,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 1,329 0.73,330 78.5,331 394,332 4.966,333 4.743,334 7.721,335 4.476,336 3.548,337 4.806,338 2.612,339 13.887,340 3.269,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.237,351 3.775,352 6.081,353 3.74,354 2.766,355 3.918,356 0.86,357 8.552,358 2.694,359 3.894,360 3.098,361 5.767,362 3.443,363 2.524,364 3.279,365 0.8,366 7.352,367 2.346,368 3.772,369 2.9,370 5.341,371 3.355,372 2.37,373 3.232,375 6.938,376 2.318,377 3.525,378 2.678,379 5.292,380 3.3,381 2.32,382 2.791,384 6.728,385 2.255,386 3.463,387 2.389,388 5.097,389 2.938,390 1.977,391 2.526,393 5.924,394 1.893,395 3.059,396 2.262,397 4.827,398 2.689,399 1.74,400 2.163,402 4.915,403 1.64,404 3.024,405 2.144,406 4.157,407 2.352,408 1.473,409 2.013,411 3.481,412 1.291,413 2.914,414 1.933,415 3.985,416 2.239,417 1.272,418 1.853,420 3.179,421 1.235,422 2.711,423 1.902,424 3.779,425 2.231,426 1.235,427 1.659,428 3.023,429 1.218,430 2.626,431 1.397,432 3.632,433 2.081,434 1.094,435 1.519,436 2.815,437 1.077,438 2.521,439 1.256,440 3.343,441 1.952,442 1,443 1.283,445 2.136,446 0.946,447 2.268,448 1.176,449 3.247,450 1.85,451 0.907,452 1,454 2.053,455 0.852,456 2,457 1.119,458 3.156,459 1.619,460 0.661,461 0.972,463 1.484,464 0.631,465 16.3,466 0.466,467 0.968,468 0.028,469 47.5,470 1.357,471 24.5,472 0.7,473 23,474 0.657,475 29.714,476 0.849,477 38.3,478 0.66,479 42.713,480 1.22,481 9.366,482 0.268,483 7.424,484 0.212,485 0.137,486 0.051,487 0.282,493 0.457,494 1.372,495 0.735,496 1.285,497 0.532,498 0.996,499 0.848,500 1.137,501 0.809,502 0.881,503 0.481,504 0.847,505 0.885,506 1.084,507 1.112,508 1.093,509 0.611,510 1.009,511 1.06,512 1.232,513 1.341,514 1.383,515 1.136,516 1.169,517 1.197,518 0.839,519 0.954,520 0.801,521 1.346,522 0.769,523 0.955,524 1.109,525 1.24,526 1.162,527 0.825,528 0.944,529 1.239,530 0.979,531 1.289,532 1.099,533 1.412,534 1.044,535 1.02,536 0.783,537 0.924,538 0.845,539 1.057,540 0.953,541 8,542 0.3,543 5.111,544 2.729,545 2.076,546 1.691,547 0.891,548 0.744,549 0.537,550 0.456,551 16745,552 56571,553 2.034,554 39.7,555 3,556 17,557 1,558 2,564 1.776,565 1.883,566 3.427,567 -0.624,573 106.352,574 1.834,575 3.992,576 4.886,577 5.293,578 5.293,579 5.293,580 2.817,581 4.708,582 5.101,583 3.636,584 2163.26,585 9.005,586 33939.9,591 339.763,592 1.592,593 5.043,594 0.211,595 0.006,596 0.095,597 0.048,598 0.04,599 0.033,600 0.016,601 0.014,602 0.01,603 0.008,604 0.479,605 0.33,606 0.75,607 0.819,608 187.323,609 0.206,610 -0.121,611 0.2,612 -0.122,613 -0.022,614 -0.041,615 0.051,616 -0.024,617 0.088,618 0.115,619 0.189,620 0.086,621 -0.06,622 0.008,623 -0.054,624 0.002,625 0.064,626 -0.023,627 -0.117,628 -0.22,629 -0.142,630 -0.23,631 -0.085,632 -0.146,633 -0.055,634 0.096,635 0.181,636 0.202,637 -0.158,638 0.216,639 0.142,640 -0.008,641 -0.035,642 -0.034,643 0.289,644 -0.007,645 -0.104,646 0.043,647 -0.201,648 -0.045,649 -0.156,650 -0.092,651 -0.04,652 0.176,653 -0.043,654 0.104,655 -0.083,656 0.038,657 5.131,658 6.607,659 0.6,660 35.789,661 1.026,662 1.134,663 1.615,664 2.608,665 0.673,666 3.664,667 4.007,668 4.277,669 4.489,670 4.691,671 4.771,672 4.82,673 4.92,674 4.963,675 5.043,676 7.136,677 0.657,678 497.59,679 3.664,680 5.22,681 6.075,682 6.959,683 7.835,684 8.725,685 9.608,686 10.502,687 11.389,688 12.287,689 12.1,692 2,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 58,733 22,734 1,735 38,737 61,738 22,739 13,740 3,741 3,742 1,746 4,747 5,752 1,760 1,761 14,762 7,766 5,768 1,769 1,771 4,773 1,774 1,781 23,782 10,784 13,785 1,790 7,794 0.75,795 5,803 1,805 1,811 1,812 3,815 1,836 1,839 1,840 3,842 1,844 1,848 35,852 1,854 6,856 1,859 2,861 1,866 1,868 1,870 8.6,873 2,874 1,876 2,877 18.583,878 10.817,879 7.694,880 3.354,881 3.679,882 1.478,883 0.97,884 7.441,885 11.379,886 3.989,887 4.603,888 5.17,889 5.723,890 6.233,891 6.641,892 6.967,893 7.272,894 7.421,895 7.738,896 1,897 57,898 13.362,900 6.162,901 8.126,902 24.025,904 19.708,905 2.626,906 91.917,910 270.735,911 139.374,912 75.74,914 106.06,916 5.807,917 133.566,918 376.795,919 75.74,920 14.495,921 17.608,922 62.236,923 121.167,924 76.318,925 13.915,926 235.422,927 50.747,928 270.735,929 209.306,930 106.06,931 5.807,933 270.735,934 44.313,935 61.747,937 88.887,938 89.039,939 37.188,941 270.735,942 181.799,943 139.374,945 5.807,946 270.735,947 33.616,948 94.703,949 16.602,950 170.445,951 270.735,952 181.799,953 139.374,955 0.588,956 0.347,957 0.175,958 0.095,959 25,960 12,961 0.131,962 8,963 1,964 1.095,965 4.398,966 334.779,967 0.095,968 21,969 171.525,973 1,974 24.776,975 10.511,976 5.502,977 0.588,978 174.965,979 10.119,980 4.208,984 0.813,987 591.909,988 53,990 -0.633,991 -4.214,993 49.75,995 1.368,996 4.276,999 59.494,1000 65.777,1001 0.313,1002 0.682,1003 0.834,1004 0.904,1005 0.904,1006 0.904,1007 5.247,1008 1.74,1009 6.094,1010 5.924,1011 4.691,1012 5.291,1013 3.132,1014 6.956,1015 4.595,1016 6.492,1017 1.473,1018 7.698,1019 4.915,1020 4.443,1021 5.38,1022 2.396,1023 8.181,1024 4.285,1025 7.844,1026 1.272,1027 9.42,1028 3.481,1029 6.372,1030 7.627,1031 4.601,1032 11.265,1033 6.167,1034 9.24,1035 1.235,1036 11.217,1037 3.179,1038 6.967,1039 8.574,1040 4.51,1041 13.385,1042 6.684,1043 10.675,1044 1.094,1045 13.068,1046 3.023,1047 8.409,1048 10.343,1049 6.265,1050 16.105,1051 8.075,1052 12.139,1053 1,1054 14.959,1055 2.815,1056 9.37,1057 11.638,1058 6.556,1059 18.553,1060 8.947,1061 13.626,1062 0.907,1063 16.879,1064 2.136,1065 10.655,1066 13.253,1067 8.011,1068 21.192,1069 10.169,1070 3.548,1071 0.661,1072 18.824,1073 2.053,1074 11.775,1075 14.692,1076 8.548,1077 23.754,1078 11.198,1079 3.091,1080 13.887,1081 20.787,1082 1.484,1083 13.017,1084 16.256,1085 9.813,1086 26.379,1087 12.366,1088 2.766,1089 10.36,1090 22.767,1091 4.806,1092 14.207,1093 17.755,1094 10.509,1095 28.982,1096 13.465,1097 2.524,1098 8.552,1099 24.758,1100 4.519,1101 15.442,1102 19.305,1103 11.655,1104 31.607,1105 14.619,1106 2.37,1107 7.352,1108 26.76,1109 3.918,1110 16.664,1111 20.831,1112 12.452,1113 34.225,1114 15.751,1115 2.32,1116 6.938,1117 28.769,1118 3.279,1119 17.904,1120 22.378,1121 13.525,1122 36.852,1123 16.905,1124 1.977,1125 6.728,1126 30.786,1127 3.232,1128 19.142,1129 23.917,1130 14.386,1131 39.477,1132 18.054,1133 16123,1134 29871,1135 24.849,1136 39.051,1137 58.433,1138 62.036,1139 59.166,1140 56.913,1141 56.924,1142 76.553,1143 12.614,1144 167.398,1145 54.223,1146 5.966,1147 6.743,1148 7.523,1149 5.579,1150 5.548,1151 7.806,1152 4.647,1153 22.144,1154 5.269,1155 19.158,1156 1.538,1157 1.633,1158 1.557,1159 1.498,1160 1.498,1161 2.015,1162 0.332,1163 4.405,1164 1.427,1165 4.15,1166 4.181,1167 4.743,1168 4.089,1169 7.815,1170 4.033,1171 4.082,1172 4.089,1173 4.088,1174 3.97,1175 7.715,1176 3.974,1177 3.831,1178 3.884,1179 3.881,1180 3.639,1181 6.999,1182 3.63,1183 3.758,1184 3.766,1185 3.683,1186 3.556,1187 6.999,1188 3.537,1189 3.524,1190 3.563,1191 3.481,1192 3.394,1193 6.82,1194 3.399,1195 3.464,1196 3.504,1197 3.432,1198 3.166,1199 5.071,1200 3.21,1201 3.306,1202 3.338,1203 3.242,1204 3.111,1205 4.657,1206 3.094,1207 3.157,1208 3.226,1209 3.074,1210 2.941,1211 4.621,1212 2.963,1213 0.131,1214 0.125,1215 0.203,1216 0.118,1217 0.093,1218 4.966,1219 0.126,1220 4.743,1221 0.069,1222 7.721,1223 0.365,1224 4.476,1225 0.086,1226 3.548,1227 4.806,1228 2.612,1229 13.887,1230 3.269,1231 1.994,1232 1.998,1233 2.021,1234 2.112,1235 1.285,1236 2.112,1237 1.921,1238 1.889,1239 1.992,1240 2.059,1241 1.218,1242 2.039,1243 1.748,1244 1.688,1245 1.958,1246 1.992,1247 1.107,1248 1.984,1249 1.589,1250 1.57,1251 1.704,1252 1.841,1253 0.981,1254 1.817,1255 1.452,1256 1.431,1257 1.596,1258 1.7,1259 0.825,1260 1.648,1261 1.328,1262 1.275,1263 1.565,1264 1.604,1265 0.655,1266 1.605,1267 1.226,1268 1.193,1269 1.513,1270 1.437,1271 0.615,1272 1.479,1273 1.153,1274 1.085,1275 1.227,1276 1.385,1277 0.543,1278 1.429,1279 4.344,1281 5.68,1282 2.398,1283 7.212,1284 4.727,1285 8.83,1286 6.823,1287 10.496,1289 1.579,1295 2.884,1297 5.352,1300 3.016,1303 9.195,1304 2.061,1305 38.125,1306 106.352,1307 231.55,1308 283.398,1309 307.008,1310 307.008,1311 307.008,1312 95.523,1313 7.7,1314 149.12,1315 157.5,1316 23,1317 12.813,1318 4.524,1319 4,1320 58.95,1321 140,1322 165,1323 0.189,1324 238.699,1325 417.44,1326 574.186,1327 22635,1329 25.001,1330 0.714,1331 0.565,1332 25.251,1333 19.758,1334 16.79,1335 0.442,1336 0.322,1337 10.687,1338 15.059,1339 10.362,1340 8.534,1341 17.579,1342 12.228,1343 15.427,1344 0.286,1345 0.18,1346 16.727,1347 9.725,1348 12.969,1349 0.183,1350 0.105,1351 14.318,1352 7.483,1353 10.182,1354 0.116,1355 0.058,1356 11.425,1357 5.146,1358 7.953,1359 0.074,1360 0.032,1361 8.975,1362 3.473,1363 0.293,1364 115.528,1365 0.201,1366 31.841,1367 0.533,1368 184,1369 667.054,1370 248.853,1371 653.831,1372 867.48,1373 600,1374 217,1375 604.72,1376 292.45,1377 638.267,1378 923.78,1379 595,1380 8.347}
{0 CHEMBL1928560,1 1.777,2 11.257,3 4.176,4 17.44,5 134.481,6 8.26,7 0.421,8 4.206,9 4.316,10 3.98,11 3.745,12 5.357,13 3.718,14 4.763,15 4.929,16 4.294,17 4.14,18 6.063,19 4.102,20 5.025,21 5.227,22 4.388,23 4.314,24 6.192,25 4.236,26 5.136,27 5.349,28 4.347,29 4.28,30 6.345,31 4.197,32 5.082,33 5.309,34 4.363,35 4.166,36 6.298,37 4.108,38 4.975,39 5.155,40 4.434,41 4.188,42 6.493,43 4.152,44 5.094,45 5.284,46 4.355,47 4.269,48 6.412,49 4.215,50 5.092,51 5.29,52 4.304,53 4.335,54 6.253,55 4.267,56 0.239,57 0.98,58 13.355,59 5.505,60 21.826,61 6.588,62 0.589,63 1.539,64 23.697,65 8.704,66 85.249,67 11.209,68 0.604,69 1.884,70 36.206,71 12.509,72 64.021,73 15.668,74 0.844,75 1.932,76 47.012,77 13.927,78 122.657,79 17.015,80 1.143,81 1.756,82 43.212,83 12.007,84 145.513,85 14.858,86 1.053,87 1.747,88 37.682,89 10.662,90 174.003,91 12.831,92 1.122,93 1.843,94 41.39,95 12.326,96 161.862,97 14.467,98 0.856,99 1.871,100 38.489,101 13.233,102 116.163,103 16.096,104 41,105 54,106 0.283,107 0.617,108 0.77,109 0.848,110 0.848,111 0.848,112 3.589,113 0.999,114 -3.78,115 -3.74,116 -3.55,119 38.3,120 1,121 3,125 4,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 7,174 4,175 10,183 7,186 3,187 18,195 4,198 3,199 13,207 1,211 8,212 15,223 8,224 11,232 2,236 7,237 10,245 2,249 4,250 11,258 9,262 2,263 9,271 11,275 2638,276 23.349,277 23.349,278 23.349,279 23.349,280 23.349,281 20.677,282 21.874,283 13.573,284 23.806,285 18.646,286 18.646,287 18.646,288 18.646,289 18.646,290 14.394,291 19.34,292 6.322,293 19.405,294 4.13,295 2.031,296 1.065,297 0.579,298 0.579,299 0.579,300 4.278,305 1,306 839,307 4.583,310 88.462,311 370.689,314 163.748,318 1.522,319 55.494,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 1,329 0.73,330 77.5,331 394,332 4.966,333 4.743,334 7.721,335 4.476,336 3.548,337 4.806,338 2.612,339 13.887,340 3.269,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.237,351 3.775,352 6.081,353 3.74,354 2.766,355 3.918,356 0.8,357 8.552,358 2.694,359 3.894,360 3.098,361 5.767,362 3.454,363 2.524,364 3.279,366 7.352,367 2.354,368 3.772,369 2.855,370 5.341,371 3.356,372 2.37,373 3.232,375 6.938,376 2.333,377 3.525,378 2.666,379 5.292,380 3.302,381 2.32,382 2.791,384 6.728,385 2.268,386 3.463,387 2.388,388 5.097,389 2.938,390 1.977,391 2.526,393 5.924,394 1.894,395 3.059,396 2.242,397 4.827,398 2.702,399 1.74,400 2.163,402 4.915,403 1.665,404 3.024,405 1.949,406 4.157,407 2.451,408 1.473,409 2.013,411 3.481,412 1.434,413 2.914,414 1.903,415 3.985,416 2.242,417 1.272,418 1.853,420 3.179,421 1.236,422 2.711,423 1.56,424 3.779,425 2.232,426 1.235,427 1.659,428 3.023,429 1.227,430 2.626,431 1.386,432 3.632,433 2.084,434 1.094,435 1.519,436 2.815,437 1.082,438 2.521,439 1.175,440 3.343,441 1.984,442 1,443 1.283,445 2.136,446 0.983,447 2.268,448 1.094,449 3.247,450 1.857,451 0.907,452 1,454 2.053,455 0.859,456 2,457 1.077,458 3.156,459 1.629,460 0.661,461 0.972,463 1.484,464 0.638,465 16.467,466 0.47,467 0.968,468 0.028,469 47,470 1.343,471 24.5,472 0.7,473 22.5,474 0.643,475 31.093,476 0.888,477 38.133,478 0.636,479 41.333,480 1.181,481 8.868,482 0.253,483 7.922,484 0.226,485 0.136,486 0.051,487 0.279,493 0.369,494 1.334,495 0.756,496 1.251,497 0.51,498 1,499 0.632,500 1.177,501 0.784,502 0.949,503 0.421,504 0.915,505 0.773,506 1.108,507 1.037,508 1.108,509 0.548,510 1.005,511 1.148,512 1.155,513 1.293,514 1.285,515 1.104,516 1.077,517 1.256,518 0.863,519 0.952,520 0.827,521 1.359,522 0.785,523 0.963,524 1.135,525 1.199,526 1.166,527 0.798,528 0.934,529 1.388,530 0.948,531 1.285,532 1.023,533 1.405,534 0.985,535 1.187,536 0.81,537 1.07,538 0.928,539 1.119,540 0.963,541 8,542 0.3,543 5.111,544 2.729,545 2.076,546 1.691,547 0.891,548 0.744,549 0.537,550 0.456,551 16745,552 51879,553 2.034,554 41.7,555 5,556 13,557 1,558 2,561 4,564 1.776,565 1.883,566 3.427,567 -0.652,573 106.624,574 1.777,575 3.876,576 4.842,577 5.328,578 5.328,579 5.328,580 2.817,581 4.708,582 5.101,583 3.636,584 2163.26,585 9.005,586 33939.9,591 354.413,592 1.592,593 5.043,594 0.211,595 0.006,596 0.095,597 0.048,598 0.04,599 0.033,600 0.016,601 0.014,602 0.01,603 0.008,604 0.479,605 0.33,606 0.75,607 0.819,608 187.323,609 0.262,610 -0.082,611 0.202,612 -0.088,613 -0.009,614 -0.025,615 0.169,616 -0.054,617 0.11,618 0.056,619 0.227,620 0.042,621 0.004,622 -0.041,623 0.024,624 -0.024,625 0.099,627 -0.108,628 -0.163,629 -0.085,630 -0.157,631 -0.064,632 -0.069,633 -0.017,634 0.086,635 0.175,636 0.174,637 -0.144,638 0.179,639 0.205,640 -0.043,641 0.018,642 -0.047,643 0.318,644 0.008,645 -0.131,646 0.07,647 -0.181,648 0.017,649 -0.138,650 -0.043,651 -0.169,652 0.179,653 -0.116,654 0.073,655 -0.137,656 0.024,657 5.1,658 6.631,659 0.6,660 35.789,661 1.018,662 1.133,663 2.547,664 6.487,665 0.673,666 3.664,667 4.007,668 4.277,669 4.489,670 4.691,671 4.771,672 4.82,673 4.92,674 4.963,675 5.043,676 7.136,677 0.649,678 495.62,679 3.664,680 5.22,681 6.075,682 6.959,683 7.835,684 8.725,685 9.608,686 10.502,687 11.389,688 12.287,689 11.7,692 2,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 60,733 22,734 1,735 38,737 63,738 23,739 13,740 3,741 3,742 1,746 4,747 5,752 1,755 3,758 3,760 1,761 14,762 8,766 5,768 1,769 1,771 4,773 1,774 1,781 25,782 9,784 12,785 1,790 7,794 0.75,795 4,803 1,805 1,811 1,812 3,815 1,836 1,840 3,842 1,844 1,848 35,852 1,854 7,859 2,861 1,866 1,868 1,870 6.7,873 2,876 2,877 18.583,878 11.15,879 7.694,880 3.687,881 3.679,882 1.478,883 0.975,884 7.47,885 11.379,886 3.989,887 4.603,888 5.17,889 5.723,890 6.233,891 6.641,892 6.967,893 7.272,894 7.421,895 7.738,896 1,897 57,898 13.371,900 6.162,901 8.069,902 24.307,904 20.168,905 2.569,906 89.917,910 294.278,911 137.793,912 75.74,914 95.06,916 5.807,917 131.985,918 389.337,919 75.74,920 14.495,921 16.026,922 62.236,923 110.167,924 76.318,925 13.915,926 258.964,927 50.747,928 294.278,929 207.725,930 95.06,931 5.807,933 247.193,934 91.397,935 50.747,937 87.306,938 89.039,939 37.188,941 294.278,942 170.8,943 137.793,945 5.807,946 294.278,947 32.035,948 94.703,949 16.602,950 159.445,951 294.278,952 170.8,953 137.793,955 0.588,956 0.347,957 0.175,958 0.095,959 25,960 12,961 0.127,962 8,963 1,964 1.095,965 4.398,966 334.779,967 0.095,968 21,969 171.525,973 1,974 24.814,975 10.536,976 5.518,977 0.604,978 163.966,979 10.222,980 4.222,984 0.906,987 602.87,988 53,990 -0.619,991 -4.183,993 49.823,995 1.393,996 4.308,999 61.051,1000 67.983,1001 0.301,1002 0.656,1003 0.82,1004 0.902,1005 0.902,1006 0.902,1007 5.247,1008 1.74,1009 6.094,1010 5.924,1011 4.691,1012 5.291,1013 3.065,1014 6.956,1015 4.61,1016 6.492,1017 1.473,1018 7.698,1019 4.915,1020 4.443,1021 5.38,1022 2.396,1023 8.181,1024 4.285,1025 7.844,1026 1.272,1027 9.42,1028 3.481,1029 6.372,1030 7.627,1031 4.59,1032 11.265,1033 6.184,1034 9.24,1035 1.235,1036 11.217,1037 3.179,1038 6.967,1039 8.574,1040 4.51,1041 13.385,1042 6.684,1043 10.675,1044 1.094,1045 13.068,1046 3.023,1047 8.409,1048 10.343,1049 6.264,1050 16.105,1051 8.087,1052 12.139,1053 1,1054 14.959,1055 2.815,1056 9.37,1057 11.638,1058 6.556,1059 18.553,1060 8.948,1061 13.626,1062 0.907,1063 16.879,1064 2.136,1065 10.655,1066 13.253,1067 8.011,1068 21.192,1069 10.177,1070 3.548,1071 0.661,1072 18.824,1073 2.053,1074 11.775,1075 14.692,1076 8.548,1077 23.754,1078 11.2,1079 3.091,1080 13.887,1081 20.787,1082 1.484,1083 13.017,1084 16.256,1085 9.813,1086 26.379,1087 12.37,1088 2.766,1089 10.36,1090 22.767,1091 4.806,1092 14.207,1093 17.755,1094 10.509,1095 28.982,1096 13.466,1097 2.524,1098 8.552,1099 24.758,1100 4.519,1101 15.442,1102 19.305,1103 11.655,1104 31.607,1105 14.622,1106 2.37,1107 7.352,1108 26.76,1109 3.918,1110 16.664,1111 20.831,1112 12.452,1113 34.225,1114 15.752,1115 2.32,1116 6.938,1117 28.769,1118 3.279,1119 17.904,1120 22.378,1121 13.525,1122 36.852,1123 16.907,1124 1.977,1125 6.728,1126 30.786,1127 3.232,1128 19.142,1129 23.917,1130 14.386,1131 39.477,1132 18.055,1133 16123,1134 28695,1135 24.849,1136 40.358,1137 58.433,1138 61.897,1139 59.166,1140 56.936,1141 56.924,1142 76.553,1143 10.894,1144 167.398,1145 54.765,1146 5.966,1147 6.743,1148 7.523,1149 5.544,1150 5.548,1151 7.806,1152 4.647,1153 22.144,1154 5.269,1155 19.158,1156 1.538,1157 1.629,1158 1.557,1159 1.498,1160 1.498,1161 2.015,1162 0.287,1163 4.405,1164 1.441,1165 4.151,1166 4.181,1167 4.743,1168 4.09,1169 7.815,1170 4.033,1171 4.082,1172 4.089,1173 4.089,1174 3.97,1175 7.715,1176 3.974,1177 3.859,1178 3.925,1179 3.881,1180 3.696,1181 6.999,1182 3.692,1183 3.78,1184 3.785,1185 3.715,1186 3.613,1187 6.999,1188 3.57,1189 3.527,1190 3.566,1191 3.482,1192 3.394,1193 6.82,1194 3.399,1195 3.469,1196 3.514,1197 3.432,1198 3.213,1199 5.071,1200 3.228,1201 3.346,1202 3.385,1203 3.265,1204 3.137,1205 4.65,1206 3.141,1207 3.165,1208 3.232,1209 3.095,1210 2.941,1211 4.569,1212 2.969,1213 0.131,1214 0.125,1215 0.203,1216 0.118,1217 0.093,1218 4.966,1219 0.126,1220 4.743,1221 0.069,1222 7.721,1223 0.365,1224 4.476,1225 0.086,1226 3.548,1227 4.806,1228 2.612,1229 13.887,1230 3.269,1231 1.994,1232 1.998,1233 2.06,1234 2.113,1235 1.415,1236 2.113,1237 1.921,1238 1.889,1239 2.019,1240 2.06,1241 1.245,1242 2.04,1243 1.832,1244 1.766,1245 1.991,1246 2.025,1247 1.108,1248 2.035,1249 1.615,1250 1.595,1251 1.752,1252 1.855,1253 1.053,1254 1.838,1255 1.46,1256 1.432,1257 1.608,1258 1.703,1259 0.825,1260 1.649,1261 1.348,1262 1.301,1263 1.565,1264 1.618,1265 0.67,1266 1.622,1267 1.262,1268 1.225,1269 1.513,1270 1.468,1271 0.617,1272 1.51,1273 1.153,1274 1.086,1275 1.304,1276 1.385,1277 0.595,1278 1.429,1279 4.344,1281 5.68,1282 2.398,1283 7.212,1284 4.727,1285 8.83,1286 6.823,1287 10.496,1289 1.595,1295 5.62,1300 3.182,1303 9.204,1304 2.072,1305 38.937,1306 106.624,1307 232.562,1308 290.539,1309 319.659,1310 319.659,1311 319.659,1312 95.782,1313 7.7,1314 139.89,1315 148.27,1316 23,1317 12.813,1318 4.524,1319 4,1320 58.95,1321 140,1322 165,1323 0.189,1324 244.295,1325 425.95,1326 587.841,1327 22635,1329 25.001,1330 0.714,1331 0.573,1332 25.251,1333 20.057,1334 16.79,1335 0.442,1336 0.333,1337 11.149,1338 15.204,1339 10.802,1340 8.953,1341 17.579,1342 12.65,1343 15.427,1344 0.286,1345 0.188,1346 16.727,1347 10.173,1348 12.969,1349 0.183,1350 0.11,1351 14.318,1352 7.828,1353 10.182,1354 0.116,1355 0.063,1356 11.425,1357 5.504,1358 7.953,1359 0.074,1360 0.035,1361 8.975,1362 3.807,1363 0.293,1364 114.528,1365 0.201,1366 31.841,1367 0.533,1368 184,1369 623.318,1370 245.974,1371 620.845,1372 828.12,1373 568,1374 217,1375 585.083,1376 289.682,1377 620.645,1378 897.3,1379 579,1380 6.854}
{0 CHEMBL1928561,1 1.911,2 11,3 2.581,4 6.661,5 110.613,6 9.315,7 0.5,8 3.966,9 4.054,10 3.842,11 3.504,12 5.269,13 3.502,14 4.458,15 4.583,16 4.15,17 3.868,18 5.963,19 3.866,20 4.673,21 4.823,22 4.265,23 4.028,24 6.069,25 3.998,26 4.804,27 4.957,28 4.253,29 4.008,30 6.239,31 3.985,32 4.781,33 4.947,34 4.205,35 3.892,36 6.306,37 3.895,38 4.679,39 4.825,40 4.173,41 3.866,42 6.387,43 3.873,44 4.759,45 4.95,46 4.035,47 3.872,48 6.183,49 3.842,50 4.691,51 4.888,52 3.935,53 3.822,54 6.025,55 3.782,56 0.278,57 0.759,58 8.274,59 4.109,60 34.564,61 3.997,62 0.634,63 1.142,64 13.69,65 6.228,66 104.568,67 6.545,68 0.68,69 1.381,70 21.617,71 8.539,72 79.984,73 8.58,74 0.933,75 1.445,76 30.992,77 9.843,78 151.547,79 9.078,80 1.239,81 1.304,82 28.205,83 8.73,84 213.723,85 8.329,86 1.04,87 1.252,88 20.211,89 7.298,90 180.144,91 7.713,92 1.026,93 1.262,94 24.831,95 8.535,96 147.855,97 9.601,98 0.955,99 1.145,100 25.081,101 8.587,102 133.691,103 9.581,104 60,105 46,106 0.32,107 0.709,108 0.835,109 0.878,110 0.878,111 0.878,112 3.441,113 0.939,114 -2.66,115 -2.68,116 -2.61,119 39.1,120 1,125 2,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 8,183 6,186 2,187 17,190 1,195 4,198 2,199 13,202 1,207 1,211 6,212 13,215 2,223 8,224 5,229 3,232 2,236 7,237 3,242 2,245 2,249 1,250 7,253 3,255 2,258 3,263 8,266 2,268 1,271 4,275 1542,276 19.789,277 19.789,278 19.789,279 19.789,280 19.789,281 17.117,282 15.13,283 11.417,284 20.17,285 15.629,286 15.629,287 15.629,288 15.629,289 15.629,290 11.376,291 10.804,292 5.172,293 16.275,294 3.613,295 1.288,296 0.53,297 0.277,298 0.277,299 0.277,300 4.115,304 1,305 1,306 689,307 4.528,310 73.823,311 198.829,314 136.466,318 1.467,319 57.304,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 1,329 0.63,330 68,331 330,332 4.966,333 4.743,334 7.721,335 4.475,336 3.547,337 4.806,338 2.612,339 13.887,340 3.268,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.237,351 3.775,352 6.08,353 3.738,354 2.763,355 3.918,357 8.549,358 2.693,359 3.894,360 3.097,361 5.765,362 3.362,363 2.378,364 3.279,366 7.32,367 2.342,368 3.77,369 2.7,370 5.292,371 3.312,372 2.328,373 3.232,375 6.728,376 2.285,377 3.47,378 2.391,379 5.097,380 2.94,381 1.979,382 2.791,384 5.925,385 1.895,386 3.081,387 2.263,388 4.837,389 2.717,390 1.764,391 2.189,393 4.94,394 1.669,395 3.024,396 1.98,397 4.157,398 2.255,399 1.29,400 2.013,402 3.479,403 1.243,404 2.914,405 1.904,406 3.985,407 2.235,408 1.236,409 1.859,411 3.075,412 1.234,413 2.715,414 1.568,415 3.778,416 2.127,417 1.152,418 1.66,420 2.826,421 1.119,422 2.626,423 1.349,424 3.357,425 1.99,426 1.044,427 1.392,428 2.149,429 0.982,430 2.417,431 1.172,432 3.185,433 1.742,434 0.779,435 1.125,436 1.622,437 0.747,438 2.07,439 1,440 3.092,441 1.384,442 0.453,443 0.75,445 0.761,446 0.42,447 1.656,448 0.92,449 2.789,450 1.129,451 0.2,452 0.293,454 0.371,455 0.185,456 1.251,457 0.641,458 2.703,459 0.879,460 -0.101,461 -0.128,463 -0.232,464 -0.098,465 13.9,466 0.463,467 0.9,468 0.03,469 43.5,470 1.45,471 24.5,472 0.817,473 19,474 0.633,475 21.83,476 0.728,477 32.3,478 0.702,479 37.79,480 1.26,481 8.623,482 0.287,483 5.649,484 0.188,485 0.185,486 0.06,487 0.302,493 0.467,494 1.193,495 0.742,496 1.194,497 0.629,498 0.906,499 0.67,500 1.172,501 0.745,502 0.911,503 0.553,504 0.846,505 0.849,506 1.168,507 1.129,508 1.14,509 0.686,510 0.977,511 1.251,512 1.214,513 1.535,514 1.434,515 1.239,516 1.153,517 1.301,518 0.869,519 1.13,520 0.947,521 1.404,522 0.915,523 0.896,524 1.111,525 0.966,526 1.075,527 0.823,528 1.078,529 1.018,530 0.893,531 0.973,532 0.92,533 1.018,534 1.04,535 1.104,536 0.767,537 0.947,538 0.842,539 1.012,540 0.937,541 7.5,542 0.182,543 4.889,544 2.792,545 2.004,546 1.434,547 0.767,548 0.588,549 0.433,550 0.301,551 10577,552 41661,553 1.966,554 34.8,555 3,556 9,557 1,558 2,559 1,564 1.733,565 1.791,566 3.425,567 -0.184,568 1,569 1,573 87.906,574 1.911,575 4.235,576 4.994,577 5.246,578 5.246,579 5.246,580 2.836,581 4.482,582 4.881,583 3.581,584 1557.75,585 8.536,586 21433.3,588 1,590 1,591 254.084,592 1.697,593 4.8,594 0.234,595 0.007,596 0.106,597 0.056,598 0.043,599 0.033,600 0.017,601 0.015,602 0.012,603 0.009,604 0.532,605 0.33,606 0.88,607 1.149,608 153.059,609 0.186,610 0.017,611 0.187,612 -0.048,613 -0.072,614 -0.002,615 0.127,616 -0.071,617 0.117,618 0.096,619 0.157,620 0.072,621 -0.063,622 -0.068,623 -0.047,624 -0.015,625 0.022,626 -0.005,627 -0.236,628 -0.167,629 -0.281,630 -0.244,631 -0.187,632 -0.172,633 -0.095,634 0.088,635 -0.04,636 0.063,637 -0.168,638 0.037,639 0.157,640 -0.105,641 -0.042,642 -0.128,643 0.227,644 -0.162,645 -0.011,646 0.033,647 -0.026,648 -0.002,649 -0.055,650 -0.042,651 -0.081,652 0.112,653 0.04,654 0.116,655 -0.092,656 0.112,657 5.194,658 6.056,659 0.5,660 26.227,661 1.038,662 1.131,663 1.43,664 2.046,665 0.69,666 3.497,667 3.85,668 4.127,669 4.344,670 4.533,671 4.605,672 4.625,673 4.673,674 4.635,675 4.635,676 6.588,677 0.685,678 428.47,679 3.497,680 5.056,681 5.916,682 6.81,683 7.694,684 8.593,685 9.483,686 10.385,687 11.278,688 12.181,689 13,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 46,733 22,734 1,735 32,737 48,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,760 1,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 16,782 9,783 1,784 12,785 1,790 6,794 0.667,795 5,796 1,803 1,805 1,811 1,812 2,815 1,838 1,840 2,842 1,844 1,848 30,852 1,853 1,854 2,859 1,861 1,866 1,868 1,870 10.9,871 1,873 2,876 2,877 16.75,878 8.65,879 6.694,880 2.487,881 3.938,882 1.537,883 0.944,884 6.138,885 11.273,886 3.871,887 4.519,888 5.111,889 5.683,890 6.201,891 6.609,892 6.936,893 7.234,894 7.362,895 7.654,896 1,897 50,898 11.477,900 5.386,901 8.381,902 19.926,904 16.103,905 2.881,906 86.417,909 1,910 176.567,911 123.872,912 72.615,914 137.743,916 5.807,917 118.064,918 314.31,919 72.615,920 14.495,921 2.106,922 104.919,923 110.167,924 73.194,925 13.915,926 141.253,927 50.747,928 176.567,929 190.68,930 137.743,931 5.807,933 176.567,934 44.313,935 93.43,937 70.261,938 89.039,939 37.188,941 176.567,942 210.359,943 123.872,945 5.807,946 176.567,947 18.114,948 91.579,949 16.602,950 202.129,951 176.567,952 210.359,953 123.872,955 0.587,956 0.353,957 0.182,958 0.1,959 21,960 11,961 0.146,962 7,963 1,964 1.133,965 3.913,966 266.258,967 0.133,968 15,969 143.207,973 1,974 21.411,975 8.6,976 4.344,977 0.533,978 203.525,979 9.681,980 4.107,984 0.479,986 42.683,987 510.797,988 47,990 -0.691,991 -4.278,993 48.193,995 1.239,996 3.98,999 47.742,1000 52.033,1001 0.346,1002 0.767,1003 0.904,1004 0.95,1005 0.95,1006 0.95,1007 5.124,1008 1.29,1009 5.953,1010 4.94,1011 4.533,1012 5.207,1013 3.019,1014 6.845,1015 4.452,1016 6.397,1017 1.236,1018 7.58,1019 3.479,1020 4.369,1021 5.352,1022 2.361,1023 8.134,1024 4.223,1025 7.765,1026 1.152,1027 9.325,1028 3.075,1029 6.248,1030 7.593,1031 4.585,1032 11.219,1033 6.065,1034 9.177,1035 1.044,1036 11.143,1037 2.826,1038 6.909,1039 8.562,1040 4.506,1041 13.366,1042 6.636,1043 10.625,1044 0.779,1045 13.01,1046 2.149,1047 8.328,1048 10.331,1049 6.263,1050 16.09,1051 8.01,1052 12.1,1053 0.453,1054 14.914,1055 1.622,1056 9.329,1057 11.634,1058 6.556,1059 18.546,1060 8.914,1061 13.596,1062 0.2,1063 16.846,1064 0.761,1065 10.607,1066 13.249,1067 8.011,1068 21.188,1069 10.131,1070 3.547,1071 -0.101,1072 18.799,1073 0.371,1074 11.748,1075 14.69,1076 8.548,1077 23.752,1078 11.176,1079 3.091,1080 13.887,1081 20.769,1082 -0.232,1083 12.989,1084 16.255,1085 9.813,1086 26.378,1087 12.344,1088 2.763,1089 10.36,1090 22.753,1091 4.806,1092 14.19,1093 17.755,1094 10.509,1095 28.981,1096 13.451,1097 2.378,1098 8.549,1099 24.748,1100 4.519,1101 15.427,1102 19.305,1103 11.655,1104 31.606,1105 14.606,1106 2.328,1107 7.32,1108 26.753,1109 3.918,1110 16.654,1111 20.831,1112 12.452,1113 34.225,1114 15.742,1115 1.979,1116 6.728,1117 28.764,1118 3.279,1119 17.895,1120 22.378,1121 13.525,1122 36.851,1123 16.898,1124 1.764,1125 5.925,1126 30.782,1127 3.232,1128 19.136,1129 23.917,1130 14.386,1131 39.476,1132 18.048,1133 10512,1134 21034,1135 20.285,1136 31.761,1137 49.681,1138 53.116,1139 51.036,1140 47.978,1141 48.008,1142 67.653,1143 9.294,1144 143.981,1145 46.142,1146 5.816,1147 6.743,1148 7.485,1149 5.54,1150 5.547,1151 7.806,1152 4.647,1153 22.141,1154 5.268,1155 18.784,1156 1.553,1157 1.66,1158 1.595,1159 1.499,1160 1.5,1161 2.114,1162 0.29,1163 4.499,1164 1.442,1165 4.147,1166 4.178,1167 4.743,1168 4.088,1169 7.815,1170 4.031,1171 4.081,1172 4.086,1173 4.088,1174 3.97,1175 7.715,1176 3.974,1177 3.799,1178 3.807,1179 3.881,1180 3.623,1181 6.999,1182 3.586,1183 3.534,1184 3.57,1185 3.487,1186 3.394,1187 6.999,1188 3.399,1189 3.479,1190 3.523,1191 3.434,1192 3.22,1193 6.82,1194 3.239,1195 3.377,1196 3.392,1197 3.321,1198 3.136,1199 6.456,1200 3.144,1201 3.163,1202 3.228,1203 3.103,1204 2.933,1205 5.07,1206 2.966,1207 3.007,1208 3.086,1209 2.806,1210 2.683,1211 4.648,1212 2.719,1213 0.155,1214 0.148,1215 0.241,1216 0.14,1217 0.111,1218 4.966,1219 0.15,1220 4.743,1221 0.082,1222 7.721,1223 0.434,1224 4.475,1225 0.102,1226 3.547,1227 4.806,1228 2.612,1229 13.887,1230 3.268,1231 1.993,1232 1.998,1233 2.02,1234 2.111,1235 1.246,1236 2.109,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.108,1242 2.038,1243 1.631,1244 1.61,1245 1.768,1246 1.884,1247 1.014,1248 1.862,1249 1.463,1250 1.433,1251 1.607,1252 1.71,1253 0.652,1254 1.651,1255 1.347,1256 1.312,1257 1.565,1258 1.638,1259 0.615,1260 1.632,1261 1.254,1262 1.226,1263 1.227,1264 1.476,1265 0.53,1266 1.511,1267 1.147,1268 1.085,1269 1.155,1270 1.385,1271 0.146,1272 1.344,1273 0.907,1274 0.84,1275 1.111,1276 1.268,1277 0.11,1278 1.267,1279 4.174,1281 5.517,1282 2.398,1283 7.059,1284 4.727,1285 8.692,1286 6.823,1287 10.374,1289 1.506,1294 9.316,1295 -0.874,1300 0.663,1303 9.057,1304 2.008,1305 31.524,1306 87.906,1307 194.823,1308 229.719,1309 241.329,1310 241.329,1311 241.329,1312 92.134,1313 7.336,1314 156.88,1315 165.26,1316 17,1317 12.703,1318 4.524,1319 4,1320 55.101,1321 116,1322 125,1323 0.227,1324 200.929,1325 349.6,1326 482.027,1327 14695,1329 21.889,1330 0.73,1331 0.551,1332 22.139,1333 16.521,1334 14.272,1335 0.446,1336 0.313,1337 8.527,1338 12.705,1339 8.233,1340 6.829,1341 15.061,1342 10.018,1343 13.134,1344 0.286,1345 0.174,1346 14.434,1347 7.994,1348 10.958,1349 0.18,1350 0.099,1351 12.307,1352 6.063,1353 8.618,1354 0.113,1355 0.055,1356 9.891,1357 4.179,1358 6.699,1359 0.073,1360 0.029,1361 7.742,1362 2.68,1363 0.353,1364 99.516,1365 0.222,1366 28.033,1367 0.634,1368 156,1369 607.823,1370 217.332,1371 601.501,1372 791.94,1373 548,1374 185,1375 548.486,1376 256.208,1377 583.123,1378 841.5,1379 543,1380 8.886}
{0 CHEMBL1928562,1 1.779,2 10.24,3 3.226,4 10.406,5 96.996,6 8.836,7 0.593,8 3.806,9 3.902,10 3.686,11 3.415,12 5.01,13 3.382,14 4.3,15 4.446,16 3.986,17 3.768,18 5.662,19 3.736,20 4.48,21 4.625,22 4.058,23 3.91,24 5.838,25 3.849,26 4.612,27 4.784,28 3.918,29 3.844,30 5.978,31 3.777,32 4.532,33 4.744,34 3.729,35 3.668,36 5.827,37 3.609,38 4.336,39 4.537,40 3.682,41 3.59,42 5.6,43 3.51,44 4.372,45 4.619,46 3.568,47 3.514,48 5.639,49 3.421,50 4.089,51 4.278,52 3.494,53 3.467,54 5.282,55 3.384,56 0.125,57 0.656,58 8.338,59 3.688,60 14.095,61 3.871,62 0.361,63 1.001,64 13.507,65 5.5,66 43.517,67 6.259,68 0.317,69 1.184,70 19.566,71 7.618,72 32.386,73 7.861,74 0.489,75 1.244,76 25.847,77 8.744,78 71.759,79 8.635,80 0.593,81 1.092,82 22.187,83 7.196,84 88.241,85 7.731,86 0.299,87 0.98,88 17.15,89 5.955,90 36.971,91 7.011,92 0.526,93 0.926,94 20.493,95 6.48,96 59.546,97 8.054,98 0.202,99 0.722,100 13.463,101 5.552,102 29.177,103 6.494,104 27,105 39,106 0.308,107 0.654,108 0.795,109 0.862,110 0.871,111 0.871,112 3.267,113 0.981,114 -3,115 -3,116 -2.89,119 42.5,120 1,124 1,142 6,143 3,144 1,145 1,151 1,152 1,155 1,158 1,166 2,172 7,174 3,175 6,183 7,186 2,187 12,195 5,198 2,199 13,207 2,211 3,212 11,223 1,224 3,232 2,236 5,237 3,245 3,249 1,250 6,258 3,263 8,271 5,275 833,276 16.557,277 16.557,278 16.557,279 16.557,280 16.557,281 14.161,282 9.286,283 9.489,284 16.821,285 13.195,286 13.195,287 13.195,288 13.195,289 13.195,290 9.394,291 4.74,292 4.349,293 13.677,294 3.542,295 1.539,296 0.725,297 0.338,298 0.288,299 0.288,300 3.941,303 1,304 1,305 1,306 543,307 3.873,310 58.127,311 158.091,314 107.382,318 1.389,319 32.902,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54.5,331 256,332 4.954,333 4.74,334 7.695,335 4.455,336 3.529,337 4.793,338 2.035,339 13.71,340 3.245,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,348 10.36,349 2.99,350 3.903,351 3.097,352 5.893,353 3.472,354 2.48,355 3.427,357 7.574,358 2.46,359 3.873,360 2.643,361 5.292,362 3.344,363 2.352,364 3.272,366 6.73,367 2.333,368 3.468,369 2.381,370 5.096,371 2.936,372 1.975,373 2.79,375 5.923,376 1.892,377 3.024,378 2.202,379 4.692,380 2.573,381 1.618,382 2.124,384 4.384,385 1.535,386 3.011,387 1.887,388 4.155,389 2.414,390 1.414,391 2.018,393 3.449,394 1.414,395 2.863,396 1.498,397 3.862,398 2.234,399 1.266,400 1.832,402 3.082,403 1.223,404 2.693,405 1.367,406 3.589,407 2.069,408 1.083,409 1.646,411 2.706,412 1.066,413 2.611,414 1.171,415 3.312,416 1.791,417 0.829,418 1.249,420 1.872,421 0.796,422 2.197,423 0.929,424 3.079,425 1.417,426 0.48,427 0.834,428 0.889,429 0.448,430 1.854,431 0.63,432 2.785,433 1.167,434 0.224,435 0.358,436 0.428,437 0.211,438 1.097,439 0.312,440 2.666,441 0.743,442 -0.235,443 -0.295,445 -0.521,446 -0.228,447 1,448 -0.029,449 2.345,450 0.376,451 -0.586,452 -0.806,454 -1.265,455 -0.563,456 0.928,457 -0.369,458 2.166,459 0.136,460 -0.835,461 -1.195,463 -2.061,464 -0.803,465 12,466 0.48,467 0.742,468 0.03,469 37,470 1.48,471 21.5,472 0.86,473 15.5,474 0.62,475 16.641,476 0.666,477 25.8,478 0.645,479 28.245,480 1.13,481 7.292,482 0.292,483 4.638,484 0.186,485 0.172,486 0.069,487 0.275,493 0.411,494 1.212,495 0.767,496 1.235,497 0.594,498 0.917,499 0.691,500 1.052,501 0.729,502 0.82,503 0.554,504 0.756,505 0.966,506 1.217,507 1.274,508 1.273,509 0.766,510 1.058,511 1.58,512 1.191,513 1.506,514 1.343,515 1.534,516 1.182,517 1.718,518 0.815,519 1.051,520 0.762,521 1.685,522 0.888,523 1.012,524 1.219,525 1.046,526 1.159,527 0.895,528 1.134,529 0.886,530 0.64,531 0.869,532 0.706,533 0.932,534 0.786,535 0.84,536 0.859,537 0.859,538 0.947,539 0.856,540 0.903,541 6,542 0.087,543 4.222,544 2.354,545 1.413,546 0.809,547 0.543,548 0.41,549 0.295,550 0.2,551 6902,552 22418,553 2.005,554 37.5,555 3,556 9,557 1,558 2,564 1.679,565 1.84,566 3.322,567 -0.672,568 1,569 1,571 1,573 71.177,574 1.779,575 3.783,576 4.596,577 4.984,578 5.034,579 5.034,580 2.679,581 4.404,582 4.62,583 3.463,584 1038.91,585 7.983,586 12604.6,587 1,588 1,589 1,590 1,591 212.877,592 1.673,593 4.546,594 0.222,595 0.005,596 0.108,597 0.057,598 0.04,599 0.028,600 0.021,601 0.017,602 0.012,603 0.009,604 0.521,605 0.33,606 1,607 0.836,608 120.56,609 0.232,610 -0.072,611 0.233,612 -0.137,613 -0.096,614 -0.024,615 0.223,616 0.021,617 0.176,618 0.144,619 0.177,620 0.138,621 -0.026,622 -0.137,623 -0.148,624 -0.158,625 0.075,626 -0.129,627 -0.273,628 -0.192,629 -0.34,630 -0.256,631 -0.183,632 -0.237,633 -0.3,634 0.117,635 -0.081,636 0.15,637 -0.275,638 0.058,639 -0.085,640 -0.224,641 -0.045,642 -0.182,643 -0.042,644 -0.166,645 0.197,646 0.29,647 0.164,648 0.248,649 0.077,650 0.24,651 0.027,652 0.051,653 0.122,654 0.087,655 0.009,656 0.135,657 4.65,658 5.625,659 0.6,660 18.653,661 1.016,662 1.123,663 1.769,664 3.128,665 0.71,666 3.332,667 3.689,668 3.97,669 4.159,670 4.29,671 4.29,672 4.344,673 4.407,674 4.344,675 4.331,676 6.068,677 0.684,678 353.44,679 3.332,680 4.89,681 5.753,682 6.642,683 7.522,684 8.416,685 9.3,686 10.195,687 11.081,688 11.976,689 12.5,692 1,697 1,698 2,699 1,703 1,704 8,705 1,709 4,711 16,713 1,731 40,733 20,734 1,735 27,737 42,738 17,739 13,740 2,741 4,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 3,769 1,771 2,773 1,774 1,777 1,778 1,781 15,782 6,784 8,785 1,790 5,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 25,852 1,859 1,861 1,866 1,868 1,870 5,873 2,877 13.583,878 8,879 5.5,880 2.176,881 3.778,882 1.54,883 0.989,884 4.478,885 10.777,886 3.714,887 4.366,888 4.986,889 5.552,890 6.034,891 6.376,892 6.764,893 7.076,894 7.221,895 7.489,896 0.857,897 41,898 9.424,900 4.251,901 8.05,902 17.061,904 13.848,905 2.55,906 63.75,909 1,910 176.567,911 136.882,912 66.945,914 44.313,916 5.807,917 131.075,918 220.879,919 66.945,920 17.222,922 71.712,923 110.167,924 70.437,925 13.915,926 141.253,928 176.567,929 198.02,930 44.313,931 5.807,933 176.567,934 44.313,937 68.155,938 104.155,939 31.518,941 176.567,942 111.258,943 136.882,945 5.807,946 176.567,947 13.252,948 103.781,949 16.602,950 108.698,951 176.567,952 111.258,953 136.882,955 0.592,956 0.362,957 0.18,958 0.09,959 19,960 9,961 0.095,962 4,963 1,964 1.133,965 3.607,966 204.834,967 0.133,968 15,969 112.096,973 1,974 17.007,975 6.582,976 3.217,977 0.671,978 110.094,979 13.285,980 4.155,984 1.966,987 424.707,988 40,991 -3.733,993 25.25,995 1.416,996 4.046,999 40.658,1000 44.906,1001 0.334,1002 0.711,1003 0.864,1004 0.937,1005 0.946,1006 0.946,1007 4.963,1008 1.266,1009 5.79,1010 3.449,1011 4.369,1012 5.053,1013 2.228,1014 6.683,1015 4.293,1016 6.238,1017 1.083,1018 7.42,1019 3.082,1020 4.205,1021 5.156,1023 8.009,1024 4.051,1025 7.605,1026 0.829,1027 9.172,1028 2.706,1029 6.094,1030 7.451,1031 3.563,1032 11.09,1033 5.91,1034 9.02,1035 0.48,1036 11,1037 1.872,1038 6.77,1039 8.405,1041 13.265,1042 6.482,1043 10.473,1044 0.224,1045 12.88,1046 0.889,1047 8.196,1048 10.207,1049 4.962,1050 15.983,1051 7.867,1052 11.954,1053 -0.235,1054 14.797,1055 0.428,1056 9.213,1057 11.511,1059 18.445,1060 8.777,1061 13.458,1062 -0.586,1063 16.74,1064 -0.521,1065 10.497,1066 13.145,1067 6.378,1068 21.078,1069 10.002,1070 3.529,1071 -0.835,1072 18.704,1073 -1.265,1074 11.649,1075 14.592,1077 23.636,1078 11.052,1079 3.091,1080 13.71,1081 20.683,1082 -2.061,1083 12.895,1084 16.169,1085 7.797,1086 26.25,1087 12.224,1088 2.48,1089 10.36,1090 22.674,1091 4.793,1092 14.1,1093 17.675,1095 28.843,1096 13.334,1097 2.352,1098 7.574,1099 24.675,1100 4.519,1101 15.339,1102 19.232,1103 9.217,1104 31.455,1105 14.491,1106 1.975,1107 6.73,1108 26.683,1109 3.427,1110 16.567,1111 20.763,1113 34.061,1114 15.627,1115 1.618,1116 5.923,1117 28.697,1118 3.272,1119 17.808,1120 22.315,1121 10.638,1122 36.674,1123 16.783,1124 1.414,1125 4.384,1126 30.716,1127 2.79,1128 19.048,1129 23.857,1131 39.287,1132 17.932,1133 6770,1134 12365,1135 17.394,1136 28.392,1137 42.467,1138 44.599,1139 42.871,1140 40.664,1141 40.682,1142 57.724,1143 4.069,1144 122.212,1145 39.228,1146 5.75,1147 6.74,1148 7.378,1149 5.507,1150 5.529,1151 7.793,1152 4.069,1153 21.838,1154 5.245,1155 13.808,1156 1.573,1157 1.652,1158 1.588,1159 1.506,1160 1.507,1161 2.138,1162 0.151,1163 4.526,1164 1.453,1165 4.136,1166 4.174,1167 4.741,1168 4.078,1169 7.715,1170 4.021,1171 4.061,1172 4.051,1173 4.088,1174 3.969,1175 6.999,1176 3.963,1177 3.685,1178 3.712,1179 3.715,1180 3.582,1181 6.82,1182 3.527,1183 3.495,1184 3.525,1185 3.474,1186 3.392,1187 5.071,1188 3.391,1189 3.212,1190 3.261,1191 3.191,1192 3.023,1193 4.709,1194 3.005,1195 3.168,1196 3.251,1197 2.962,1198 2.969,1199 4.583,1200 2.985,1201 3.06,1202 3.141,1203 2.918,1204 2.861,1205 4.219,1206 2.848,1207 2.829,1208 2.922,1209 2.69,1210 2.608,1211 3.896,1212 2.602,1213 0.183,1214 0.176,1215 0.285,1216 0.165,1217 0.131,1218 4.954,1219 0.178,1220 4.74,1221 0.075,1222 7.695,1223 0.508,1224 4.455,1225 0.12,1226 3.529,1227 4.793,1228 2.035,1229 13.71,1230 3.245,1231 1.978,1232 1.983,1233 2.023,1234 2.066,1235 1.223,1236 2.084,1237 1.92,1238 1.889,1239 1.991,1240 2.038,1241 1.107,1242 2.036,1243 1.586,1244 1.562,1245 1.685,1246 1.795,1247 0.788,1248 1.798,1249 1.431,1250 1.419,1251 1.562,1252 1.595,1253 0.631,1254 1.602,1255 1.208,1256 1.127,1257 1.552,1258 1.418,1259 0.603,1260 1.469,1261 1.148,1262 1.087,1263 1.211,1264 1.385,1265 0.42,1266 1.363,1267 1.069,1268 1.002,1269 1.136,1270 1.302,1271 0.133,1272 1.337,1273 0.779,1274 0.712,1275 1.05,1276 1.041,1277 0.092,1278 1.033,1279 4.007,1281 5.352,1282 2.398,1283 6.899,1284 4.727,1285 8.534,1286 6.823,1287 10.214,1289 3.115,1300 0.924,1303 9.001,1304 2.061,1305 27.358,1306 71.177,1307 151.328,1308 183.858,1309 199.367,1310 201.367,1311 201.367,1312 51.43,1313 6.999,1314 90.83,1315 99.21,1316 17,1317 12.503,1318 4.392,1319 3.807,1320 41.85,1321 93,1322 86,1323 0.224,1324 175.481,1325 297.57,1326 419.934,1327 9860,1329 18.027,1330 0.721,1331 0.579,1332 18.277,1333 14.473,1334 11.93,1335 0.442,1336 0.327,1337 7.403,1338 10.661,1339 7.035,1340 5.903,1341 12.719,1342 8.833,1343 11.017,1344 0.282,1345 0.188,1346 12.359,1347 7.325,1348 9.556,1349 0.184,1350 0.107,1351 10.955,1352 5.563,1353 7.289,1354 0.116,1355 0.056,1356 8.345,1357 3.544,1358 5.415,1359 0.075,1360 0.03,1361 6.145,1362 2.184,1363 0.352,1364 82.94,1365 0.24,1366 24.199,1367 0.616,1368 132,1369 436.557,1370 185.383,1371 449.376,1372 608.73,1373 412,1374 157,1375 426.254,1376 219.168,1377 470.226,1378 678.74,1379 438,1380 6.155}
{0 CHEMBL1928563,1 1.909,2 11.036,3 3.12,4 9.736,5 104.321,6 9.487,7 0.533,8 3.877,9 3.965,10 3.786,11 3.441,12 5.182,13 3.434,14 4.364,15 4.492,16 4.101,17 3.805,18 5.89,19 3.804,20 4.548,21 4.674,22 4.197,23 3.962,24 5.988,25 3.94,26 4.722,27 4.87,28 4.141,29 3.928,30 6.193,31 3.911,32 4.696,33 4.88,34 4.035,35 3.771,36 6.112,37 3.756,38 4.494,39 4.659,40 3.961,41 3.647,42 6.238,43 3.633,44 4.451,45 4.676,46 3.751,47 3.572,48 5.873,49 3.526,50 4.253,51 4.424,52 3.622,53 3.536,54 5.592,55 3.487,56 0.232,57 0.71,58 7.127,59 3.697,60 23.82,61 3.548,62 0.559,63 1.062,64 12.205,65 5.589,66 87.847,67 5.796,68 0.504,69 1.269,70 17.707,71 7.637,72 60.307,73 7.084,74 0.821,75 1.351,76 24.34,77 8.669,78 126.175,79 7.486,80 1.075,81 1.201,82 26.034,83 8.153,84 175.859,85 7.461,86 0.912,87 1.053,88 18.032,89 6.268,90 162.115,91 6.729,92 0.747,93 0.973,94 20.298,95 6.28,96 88.015,97 7.458,98 0.521,99 0.8,100 15.157,101 6.031,102 86.58,103 6.189,104 54,105 44,106 0.325,107 0.694,108 0.815,109 0.862,110 0.862,111 0.862,112 3.375,113 0.934,114 -3.15,115 -3.14,116 -3.02,119 40.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 8,183 5,186 2,187 18,195 4,198 2,199 15,207 2,211 6,212 12,223 8,224 3,232 2,236 7,237 3,245 2,249 1,250 7,258 3,263 8,271 4,275 1184,276 18.264,277 18.264,278 18.264,279 18.264,280 18.264,281 15.564,282 12.408,283 10.312,284 18.581,285 14.636,286 14.636,287 14.636,288 14.636,289 14.636,290 10.358,291 8.464,292 4.689,293 15.192,294 3.483,295 1.312,296 0.598,297 0.322,298 0.322,299 0.322,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 49.516,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 63,331 309,332 4.967,333 4.743,334 7.706,335 4.473,336 3.544,337 4.813,338 2.612,339 13.777,340 3.269,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.335,351 3.795,352 6.452,353 3.862,354 2.886,355 4.028,357 9.649,358 2.813,359 3.893,360 3.097,361 5.566,362 3.351,363 2.36,364 3.275,366 6.742,367 2.338,368 3.612,369 2.684,370 5.291,371 3.077,372 2.113,373 3.03,375 6.371,376 2.031,377 3.457,378 2.402,379 5.093,380 2.907,381 1.94,382 2.784,384 5.884,385 1.871,386 3.024,387 2.236,388 4.575,389 2.503,390 1.54,391 2.119,393 4.089,394 1.475,395 3.011,396 1.915,397 4.155,398 2.414,399 1.414,400 2.018,402 3.416,403 1.414,404 2.863,405 1.513,406 3.913,407 2.226,408 1.258,409 1.844,411 3.155,412 1.214,413 2.746,414 1.439,415 3.738,416 2.055,417 1.065,418 1.69,420 2.723,421 1.052,422 2.635,423 1.241,424 3.322,425 1.792,426 0.83,427 1.251,428 1.876,429 0.797,430 2.198,431 1.009,432 3.113,433 1.417,434 0.481,435 0.835,436 0.892,437 0.449,438 1.855,439 1,440 2.8,441 1.168,442 0.226,443 0.36,445 0.43,446 0.212,447 1.211,448 0.65,449 2.74,450 0.867,451 -0.113,452 -0.141,454 -0.266,455 -0.11,456 1,457 0.47,458 2.349,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 13.067,466 0.467,467 0.921,468 0.033,469 42.25,470 1.509,471 24.5,472 0.875,473 17.75,474 0.634,475 18.909,476 0.675,477 29.533,478 0.703,479 35.179,480 1.256,481 8.334,482 0.298,483 4.917,484 0.176,485 0.209,486 0.064,487 0.321,493 0.339,494 1.188,495 0.723,496 1.21,497 0.557,498 0.907,499 0.593,500 1.08,501 0.685,502 0.828,503 0.478,504 0.74,505 0.87,506 1.271,507 1.23,508 1.298,509 0.678,510 1.057,511 1.421,512 1.217,513 1.469,514 1.353,515 1.321,516 1.223,517 1.523,518 0.803,519 1.151,520 0.876,521 1.615,522 0.938,523 0.785,524 1.109,525 0.988,526 1.077,527 0.769,528 1.099,529 0.785,530 0.672,531 0.902,532 0.737,533 0.761,534 0.84,535 1.15,536 0.819,537 1.005,538 0.902,539 1.137,540 0.947,541 7,542 0.153,543 4.889,544 2.917,545 1.764,546 1.267,547 0.706,548 0.441,549 0.319,550 0.255,551 9167,552 35695,553 1.964,554 33.3,555 3,556 8,557 1,558 2,564 1.71,565 1.778,566 3.429,567 -0.601,568 1,569 1,573 80.178,574 1.909,575 4.08,576 4.794,577 5.071,578 5.071,579 5.071,580 2.867,581 4.45,582 4.783,583 3.588,584 1356.3,585 8.313,586 17839.5,588 1,590 1,591 226.477,592 1.728,593 4.694,594 0.233,595 0.007,596 0.111,597 0.061,598 0.041,599 0.035,600 0.021,601 0.015,602 0.012,603 0.009,604 0.545,605 0.33,606 0.88,607 0.944,608 140.424,609 0.273,610 -0.002,611 0.214,612 -0.092,613 -0.052,614 -0.028,615 0.2,616 0.002,617 0.187,618 0.161,619 0.215,620 0.167,621 -0.087,622 -0.166,623 -0.164,624 -0.167,625 0.038,626 -0.123,627 -0.332,628 -0.209,629 -0.358,630 -0.274,631 -0.216,632 -0.281,633 -0.255,634 0.11,635 -0.055,636 0.112,637 -0.339,638 0.048,639 0.307,640 -0.142,641 0.023,642 -0.108,643 0.308,644 -0.142,645 0.15,646 0.267,647 0.143,648 0.203,649 0.091,650 0.212,651 -0.167,652 0.073,653 -0.001,654 0.132,655 -0.144,656 0.115,657 5.01,658 5.777,659 0.536,660 23.398,661 1.036,662 1.129,663 1.916,664 3.673,665 0.703,666 3.434,667 3.807,668 4.094,669 4.29,670 4.431,671 4.477,672 4.522,673 4.554,674 4.454,675 4.454,676 6.557,677 0.697,678 398.44,679 3.434,680 5.004,681 5.872,682 6.77,683 7.656,684 8.556,685 9.447,686 10.348,687 11.241,688 12.143,689 14.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 42,733 22,734 1,735 30,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 28,852 1,859 1,861 1,866 1,868 1,870 9.5,873 2,876 2,877 15.75,878 8.45,879 6.139,880 2.244,881 4.003,882 1.552,883 0.97,884 5.151,885 11.251,886 3.829,887 4.497,888 5.102,889 5.673,890 6.163,891 6.548,892 6.91,893 7.206,894 7.28,895 7.562,896 1,897 48,898 10.637,900 4.953,901 8.336,902 18.592,904 15.03,905 2.836,906 79.417,909 1,910 164.795,911 130.163,912 72.615,914 95.06,916 5.807,917 124.355,918 259.855,919 72.615,920 22.892,922 62.236,923 110.167,924 73.194,925 13.915,926 129.482,927 50.747,928 164.795,929 196.971,930 95.06,931 5.807,933 164.795,934 44.313,935 50.747,937 68.155,938 97.435,939 37.188,941 164.795,942 167.675,943 130.163,945 5.807,946 164.795,947 16.008,948 99.975,949 16.602,950 159.445,951 164.795,952 167.675,953 130.163,955 0.598,956 0.366,957 0.182,958 0.09,959 21,960 11,961 0.114,962 5,963 1,964 1.133,965 3.779,966 241.465,967 0.133,968 15,969 130.606,973 1,974 19.5,975 7.397,976 3.618,977 0.583,978 160.841,979 10.138,980 4.111,984 0.48,987 462.633,988 45,990 -0.636,991 -4.094,993 47.682,995 1.299,996 3.95,999 43.531,1000 47.408,1001 0.354,1002 0.757,1003 0.889,1004 0.94,1005 0.94,1006 0.94,1007 5.088,1008 1.414,1009 5.922,1010 4.089,1011 4.489,1012 5.185,1013 3.019,1014 6.828,1015 4.412,1016 6.373,1017 1.258,1018 7.563,1019 3.416,1020 4.369,1021 5.352,1022 2.361,1023 8.143,1024 4.223,1025 7.748,1026 1.065,1027 9.321,1028 3.155,1029 6.225,1030 7.59,1031 4.585,1032 11.228,1033 6.044,1034 9.168,1035 0.83,1036 11.149,1037 2.723,1038 6.919,1039 8.573,1040 4.506,1041 13.372,1042 6.649,1043 10.623,1044 0.481,1045 13.026,1046 1.876,1047 8.327,1048 10.342,1049 6.263,1050 16.091,1051 8.014,1052 12.103,1053 0.226,1054 14.935,1055 0.892,1056 9.346,1057 11.654,1058 6.556,1059 18.529,1060 8.94,1061 13.604,1062 -0.113,1063 16.87,1064 0.43,1065 10.62,1066 13.27,1067 8.011,1068 21.161,1069 10.155,1070 3.544,1071 -0.586,1072 18.824,1073 -0.266,1074 11.768,1075 14.716,1076 8.548,1077 23.707,1078 11.212,1079 3.091,1080 13.777,1081 20.794,1082 -1.265,1083 13.006,1084 16.281,1085 9.813,1086 26.321,1087 12.379,1088 2.886,1089 10.36,1090 22.776,1091 4.813,1092 14.207,1093 17.783,1094 10.509,1095 28.91,1096 13.49,1097 2.36,1098 9.649,1099 24.768,1100 4.519,1101 15.441,1102 19.333,1103 11.655,1104 31.524,1105 14.645,1106 2.113,1107 6.742,1108 26.768,1109 4.028,1110 16.666,1111 20.86,1112 12.452,1113 34.131,1114 15.781,1115 1.94,1116 6.371,1117 28.775,1118 3.275,1119 17.904,1120 22.407,1121 13.525,1122 36.748,1123 16.936,1124 1.54,1125 5.884,1126 30.788,1127 3.03,1128 19.142,1129 23.947,1130 14.386,1131 39.363,1132 18.085,1133 9064,1134 18058,1135 18.898,1136 29.546,1137 47.315,1138 50.421,1139 48.54,1140 45.474,1141 45.495,1142 65.135,1143 9.294,1144 138.73,1145 43.853,1146 5.768,1147 6.743,1148 7.256,1149 5.535,1150 5.544,1151 7.813,1152 4.647,1153 22.081,1154 5.269,1155 17.791,1156 1.577,1157 1.681,1158 1.618,1159 1.516,1160 1.517,1161 2.171,1162 0.31,1163 4.624,1164 1.462,1165 4.146,1166 4.177,1167 4.742,1168 4.086,1169 7.815,1170 4.03,1171 4.081,1172 4.087,1173 4.088,1174 3.97,1175 7.715,1176 3.974,1177 3.793,1178 3.792,1179 3.89,1180 3.618,1181 6.999,1182 3.573,1183 3.512,1184 3.548,1185 3.478,1186 3.394,1187 6.999,1188 3.399,1189 3.411,1190 3.45,1191 3.383,1192 3.048,1193 6.82,1194 3.101,1195 3.2,1196 3.259,1197 3.186,1198 2.995,1199 5.071,1200 3.005,1201 3.159,1202 3.226,1203 2.952,1204 2.909,1205 4.652,1206 2.941,1207 3.055,1208 3.131,1209 2.914,1210 2.828,1211 4.578,1212 2.819,1213 0.166,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.967,1219 0.16,1220 4.743,1221 0.087,1222 7.706,1223 0.459,1224 4.473,1225 0.109,1226 3.544,1227 4.813,1228 2.612,1229 13.777,1230 3.269,1231 1.994,1232 1.998,1233 2.02,1234 2.113,1235 1.238,1236 2.11,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.107,1242 2.038,1243 1.601,1244 1.589,1245 1.686,1246 1.855,1247 0.792,1248 1.834,1249 1.447,1250 1.431,1251 1.562,1252 1.669,1253 0.631,1254 1.626,1255 1.214,1256 1.151,1257 1.552,1258 1.561,1259 0.603,1260 1.524,1261 1.173,1262 1.103,1263 1.255,1264 1.418,1265 0.422,1266 1.469,1267 1.14,1268 1.079,1269 1.21,1270 1.382,1271 0.133,1272 1.339,1273 0.999,1274 0.953,1275 1.05,1276 1.278,1277 0.078,1278 1.323,1279 4.111,1281 5.468,1282 2.398,1283 7.024,1284 4.727,1285 8.668,1286 6.823,1287 10.358,1289 2.605,1300 0.733,1303 9.015,1304 2.02,1305 29.282,1306 80.178,1307 171.358,1308 201.358,1309 212.968,1310 212.968,1311 212.968,1312 76.712,1313 7.248,1314 136.65,1315 145.03,1316 17,1317 12.666,1318 4.524,1319 4,1320 49.766,1321 111,1322 109,1323 0.22,1324 187.34,1325 323.51,1326 448.87,1327 13573,1329 20.474,1330 0.731,1331 0.559,1332 20.724,1333 15.66,1334 13.251,1335 0.442,1336 0.311,1337 7.865,1338 11.736,1339 7.522,1340 6.284,1341 14.04,1342 9.339,1343 12.453,1344 0.283,1345 0.175,1346 13.795,1347 7.717,1348 10.663,1349 0.181,1350 0.1,1351 12.052,1352 5.906,1353 8.255,1354 0.115,1355 0.053,1356 9.303,1357 3.795,1358 5.982,1359 0.072,1360 0.028,1361 6.797,1362 2.349,1363 0.346,1364 92.767,1365 0.23,1366 26.618,1367 0.603,1368 148,1369 567.673,1370 207.559,1371 567.304,1372 751.84,1373 516,1374 177,1375 528.618,1376 245.153,1377 564.911,1378 813.53,1379 525,1380 6}
{0 CHEMBL1928564,1 1.909,2 11.607,3 3.12,4 9.736,5 104.321,6 9.487,7 0.533,8 3.877,9 3.965,10 3.786,11 3.441,12 5.181,13 3.434,14 4.364,15 4.492,16 4.101,17 3.805,18 5.892,19 3.804,20 4.548,21 4.675,22 4.182,23 3.959,24 5.999,25 3.933,26 4.715,27 4.872,28 4.066,29 3.908,30 6.168,31 3.88,32 4.621,33 4.813,34 3.919,35 3.738,36 5.999,37 3.717,38 4.473,39 4.651,40 3.945,41 3.667,42 5.828,43 3.621,44 4.497,45 4.706,46 3.871,47 3.566,48 6.231,49 3.544,50 4.194,51 4.357,52 3.69,53 3.528,54 5.602,55 3.493,56 0.232,57 0.71,58 7.127,59 3.697,60 23.709,61 3.548,62 0.559,63 1.062,64 12.205,65 5.589,66 88.514,67 5.796,68 0.505,69 1.265,70 17.544,71 7.631,72 54.649,73 7.035,74 0.847,75 1.317,76 26.124,77 9.077,78 138.142,79 8.046,80 0.894,81 1.153,82 21.323,83 7.1,84 142.56,85 6.938,86 0.651,87 1.063,88 19.73,89 6.723,90 94.874,91 6.873,92 1.059,93 0.972,94 21.819,95 6.598,96 175.44,97 7.911,98 0.433,99 0.801,100 12.804,101 5.431,102 57.129,103 5.822,104 54,105 44,106 0.325,107 0.694,108 0.815,109 0.862,110 0.862,111 0.862,112 3.374,113 0.933,114 -3.15,115 -3.14,116 -3.02,119 40.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 5,174 4,175 8,183 5,186 2,187 18,195 4,198 2,199 18,207 2,211 3,212 10,223 4,224 2,232 2,236 12,237 3,245 3,249 3,250 6,258 2,263 9,271 5,275 1214,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.539,282 14.24,283 10.264,284 18.533,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.375,291 11.801,292 4.696,293 15.207,294 3.483,295 1.312,296 0.598,297 0.322,298 0.322,299 0.322,300 4.047,304 1,305 1,306 684,307 4.301,310 69.08,311 183.516,314 127.47,318 1.707,319 48.458,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 63,331 325,332 4.957,333 4.74,334 7.696,335 4.459,336 3.532,337 4.798,338 2.612,339 13.714,340 3.251,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.256,351 3.778,352 6.056,353 3.759,354 2.783,355 3.945,357 8.532,358 2.714,359 3.894,360 3.097,361 5.741,362 3.355,363 2.365,364 3.277,366 7.112,367 2.34,368 3.735,369 2.656,370 5.292,371 3.259,372 2.279,373 3.19,375 6.725,376 2.228,377 3.464,378 2.39,379 5.095,380 2.929,381 1.966,382 2.787,384 5.918,385 1.887,386 3.024,387 2.221,388 4.673,389 2.552,390 1.593,391 2.117,393 4.341,394 1.518,395 3.011,396 1.918,397 4.156,398 2.32,399 1.324,400 2.015,402 3.459,403 1.318,404 2.896,405 1.788,406 3.907,407 2.224,408 1.255,409 1.838,411 3.128,412 1.213,413 2.719,414 1.393,415 3.773,416 2.055,417 1.065,418 1.682,420 2.745,421 1.053,422 2.631,423 1.209,424 3.321,425 1.793,426 0.83,427 1.252,428 1.876,429 0.797,430 2.198,431 1,432 3.112,433 1.417,434 0.481,435 0.836,436 0.892,437 0.449,438 1.855,439 0.982,440 2.801,441 1.168,442 0.226,443 0.36,445 0.43,446 0.212,447 1.183,448 0.64,449 2.742,450 0.787,451 -0.186,452 -0.239,454 -0.454,455 -0.179,456 1,457 0.385,458 2.35,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 13.067,466 0.467,467 0.938,468 0.033,469 42.25,470 1.509,471 24.5,472 0.875,473 17.75,474 0.634,475 18.752,476 0.67,477 29.533,478 0.703,479 34.816,480 1.243,481 8.319,482 0.297,483 4.916,484 0.176,485 0.209,486 0.064,487 0.321,493 0.339,494 1.188,495 0.723,496 1.21,497 0.558,498 0.907,499 0.593,500 1.08,501 0.685,502 0.828,503 0.475,504 0.74,505 0.88,506 1.257,507 1.265,508 1.315,509 0.673,510 1.095,511 1.412,512 1.176,513 1.515,514 1.331,515 1.335,516 1.21,517 1.458,518 0.848,519 1.05,520 0.788,521 1.384,522 0.948,523 0.96,524 1.162,525 1.131,526 1.267,527 1.059,528 1.175,529 0.591,530 0.607,531 0.788,532 0.669,533 0.669,534 0.755,535 0.802,536 0.887,537 0.896,538 0.972,539 0.751,540 0.954,541 7.5,542 0.141,543 4.889,544 2.667,545 1.827,546 1.101,547 0.788,548 0.535,549 0.336,550 0.231,551 9419,552 37099,553 1.964,554 33.3,555 3,556 8,557 1,558 2,564 1.709,565 1.778,566 3.478,567 -0.601,568 1,569 1,573 80.178,574 1.909,575 4.08,576 4.794,577 5.071,578 5.071,579 5.071,580 2.931,581 4.379,582 4.78,583 3.655,584 1381.44,585 8.303,586 18292.2,588 1,590 1,591 226.477,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.057,598 0.045,599 0.032,600 0.025,601 0.017,602 0.012,603 0.009,604 0.564,605 0.33,606 0.88,607 0.944,608 141.11,609 0.273,610 -0.002,611 0.214,612 -0.092,613 -0.052,614 -0.028,615 0.2,616 0.002,617 0.187,618 0.161,619 0.218,620 0.167,621 -0.098,622 -0.152,623 -0.2,624 -0.184,625 0.04,626 -0.162,627 -0.324,628 -0.195,629 -0.374,630 -0.236,631 -0.219,632 -0.233,633 -0.323,634 0.074,635 -0.078,636 0.125,637 -0.271,638 0.032,639 -0.017,640 -0.173,641 0.018,642 -0.187,643 -0.154,644 -0.159,645 0.543,646 0.295,647 0.28,648 0.274,649 0.434,650 0.283,651 0.051,652 0.079,653 0.059,654 0.042,655 0.055,656 0.065,657 4.915,658 5.736,659 0.536,660 25.148,661 1.036,662 1.129,663 1.916,664 3.673,665 0.703,666 3.434,667 3.807,668 4.078,669 4.263,670 4.419,671 4.5,672 4.595,673 4.522,674 4.419,675 4.431,676 6.77,677 0.697,678 398.44,679 3.434,680 5.004,681 5.866,682 6.76,683 7.642,684 8.538,685 9.425,686 10.322,687 11.212,688 12.11,689 14.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 42,733 22,734 1,735 30,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 28,852 1,859 1,861 1,866 1,868 1,870 9.5,873 2,876 2,877 15.75,878 8.45,879 6.111,880 2.237,881 3.974,882 1.548,883 0.97,884 5.151,885 11.222,886 3.829,887 4.497,888 5.093,889 5.652,890 6.153,891 6.564,892 6.999,893 7.132,894 7.27,895 7.54,896 0.875,897 47,898 10.595,900 4.894,901 8.336,902 18.592,904 15.025,905 2.836,906 79.417,909 1,910 164.795,911 130.163,912 72.615,914 95.06,916 5.807,917 124.355,918 259.855,919 72.615,920 22.892,922 62.236,923 110.167,924 73.194,925 13.915,926 129.482,927 50.747,928 164.795,929 196.971,930 95.06,931 5.807,933 164.795,934 44.313,935 50.747,937 68.155,938 97.435,939 37.188,941 164.795,942 167.675,943 130.163,945 5.807,946 164.795,947 16.008,948 99.975,949 16.602,950 159.445,951 164.795,952 167.675,953 130.163,955 0.599,956 0.36,957 0.174,958 0.089,959 21,960 11,961 0.114,962 5,963 1,964 1.133,965 3.817,966 239.119,967 0.133,968 15,969 130.606,973 1,974 19.5,975 7.397,976 3.752,977 0.597,978 160.841,979 9.844,980 4.117,984 0.933,987 462.633,988 45,990 -0.591,991 -3.998,993 47.13,995 1.321,996 3.969,999 43.531,1000 47.408,1001 0.354,1002 0.757,1003 0.889,1004 0.94,1005 0.94,1006 0.94,1007 5.088,1008 1.324,1009 5.916,1010 4.341,1011 4.489,1012 5.185,1013 3.019,1014 6.81,1015 4.412,1016 6.373,1017 1.255,1018 7.55,1019 3.459,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.223,1025 7.747,1026 1.065,1027 9.299,1028 3.128,1029 6.217,1030 7.585,1031 4.585,1032 11.177,1033 6.036,1034 9.163,1035 0.83,1036 11.119,1037 2.745,1038 6.899,1039 8.56,1040 4.506,1041 13.317,1042 6.625,1043 10.614,1044 0.481,1045 12.987,1046 1.876,1047 8.303,1048 10.328,1049 6.263,1050 16.027,1051 7.987,1052 12.09,1053 0.226,1054 14.89,1055 0.892,1056 9.311,1057 11.631,1058 6.556,1059 18.47,1060 8.896,1061 13.587,1062 -0.186,1063 16.82,1064 0.43,1065 10.582,1066 13.246,1067 8.011,1068 21.098,1069 10.107,1070 3.532,1071 -0.586,1072 18.771,1073 -0.454,1074 11.723,1075 14.686,1076 8.548,1077 23.648,1078 11.151,1079 3.091,1080 13.714,1081 20.739,1082 -1.265,1083 12.959,1084 16.25,1085 9.813,1086 26.26,1087 12.314,1088 2.783,1089 10.36,1090 22.72,1091 4.798,1092 14.156,1093 17.748,1094 10.509,1095 28.85,1096 13.417,1097 2.365,1098 8.532,1099 24.713,1100 4.519,1101 15.388,1102 19.296,1103 11.655,1104 31.461,1105 14.568,1106 2.279,1107 7.112,1108 26.714,1109 3.945,1110 16.61,1111 20.821,1112 12.452,1113 34.066,1114 15.698,1115 1.966,1116 6.725,1117 28.722,1118 3.277,1119 17.846,1120 22.367,1121 13.525,1122 36.68,1123 16.848,1124 1.593,1125 5.918,1126 30.736,1127 3.19,1128 19.082,1129 23.904,1130 14.386,1131 39.291,1132 17.993,1133 9303,1134 18633,1135 18.898,1136 29.546,1137 47.402,1138 50.599,1139 48.338,1140 45.559,1141 45.581,1142 65.229,1143 9.294,1144 138.465,1145 43.937,1146 5.757,1147 6.74,1148 7.245,1149 5.521,1150 5.532,1151 7.798,1152 4.647,1153 21.86,1154 5.251,1155 17.979,1156 1.58,1157 1.687,1158 1.611,1159 1.519,1160 1.519,1161 2.174,1162 0.31,1163 4.615,1164 1.465,1165 4.144,1166 4.177,1167 4.742,1168 4.085,1169 7.815,1170 4.028,1171 4.079,1172 4.083,1173 4.088,1174 3.97,1175 7.715,1176 3.972,1177 3.805,1178 3.804,1179 3.89,1180 3.623,1181 6.999,1182 3.582,1183 3.518,1184 3.556,1185 3.48,1186 3.395,1187 6.999,1188 3.401,1189 3.423,1190 3.468,1191 3.396,1192 3.093,1193 6.82,1194 3.137,1195 3.198,1196 3.252,1197 3.184,1198 2.973,1199 5.071,1200 2.986,1201 3.101,1202 3.171,1203 2.923,1204 2.882,1205 4.648,1206 2.899,1207 3.045,1208 3.103,1209 2.91,1210 2.783,1211 4.577,1212 2.794,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.957,1219 0.16,1220 4.74,1221 0.087,1222 7.696,1223 0.457,1224 4.459,1225 0.108,1226 3.532,1227 4.798,1228 2.612,1229 13.714,1230 3.251,1231 1.992,1232 1.996,1233 2.02,1234 2.109,1235 1.234,1236 2.107,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.107,1242 2.038,1243 1.605,1244 1.595,1245 1.686,1246 1.866,1247 0.792,1248 1.84,1249 1.453,1250 1.435,1251 1.562,1252 1.687,1253 0.631,1254 1.642,1255 1.269,1256 1.204,1257 1.56,1258 1.57,1259 0.608,1260 1.567,1261 1.15,1262 1.087,1263 1.226,1264 1.39,1265 0.424,1266 1.414,1267 1.11,1268 1.036,1269 1.207,1270 1.364,1271 0.133,1272 1.338,1273 0.914,1274 0.892,1275 1.05,1276 1.23,1277 0.09,1278 1.246,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.335,1289 2.741,1300 0.777,1303 9.013,1304 2.026,1305 29.282,1306 80.178,1307 171.358,1308 201.358,1309 212.968,1310 212.968,1311 212.968,1312 75.128,1313 7.248,1314 136.65,1315 145.03,1316 17,1317 12.635,1318 4.524,1319 4,1320 49.84,1321 114,1322 109,1323 0.214,1324 187.34,1325 323.51,1326 448.87,1327 13573,1329 20.474,1330 0.731,1331 0.559,1332 20.724,1333 15.66,1334 13.234,1335 0.441,1336 0.311,1337 7.859,1338 11.717,1339 7.512,1340 6.28,1341 14.023,1342 9.333,1343 12.549,1344 0.285,1345 0.177,1346 13.892,1347 7.766,1348 10.597,1349 0.183,1350 0.101,1351 11.996,1352 5.839,1353 8.016,1354 0.115,1355 0.053,1356 9.055,1357 3.715,1358 5.983,1359 0.073,1360 0.028,1361 6.701,1362 2.326,1363 0.338,1364 92.666,1365 0.23,1366 26.775,1367 0.58,1368 148,1369 567.673,1370 207.559,1371 567.588,1372 751.32,1373 516,1374 176,1375 527.618,1376 243.987,1377 564.373,1378 811.02,1379 524,1380 7.187}
{0 CHEMBL1928565,1 1.909,2 10.5,3 3.12,4 9.736,5 104.321,6 9.487,7 0.533,8 3.877,9 3.965,10 3.786,11 3.441,12 5.182,13 3.434,14 4.364,15 4.492,16 4.101,17 3.805,18 5.891,19 3.804,20 4.548,21 4.674,22 4.224,23 3.965,24 5.973,25 3.942,26 4.726,27 4.869,28 4.24,29 3.938,30 6.196,31 3.929,32 4.72,33 4.885,34 4.096,35 3.772,36 6.462,37 3.799,38 4.532,39 4.71,40 3.866,41 3.679,42 5.993,43 3.647,44 4.497,45 4.725,46 3.687,47 3.58,48 5.865,49 3.52,50 4.179,51 4.351,52 3.637,53 3.52,54 5.46,55 3.475,56 0.232,57 0.71,58 7.127,59 3.697,60 23.82,61 3.548,62 0.559,63 1.062,64 12.205,65 5.589,66 88.208,67 5.796,68 0.504,69 1.276,70 17.157,71 7.479,72 60.896,73 7.014,74 0.835,75 1.364,76 26.917,77 9.246,78 129.801,79 8.012,80 1.31,81 1.219,82 23.102,83 7.448,84 229.875,85 6.827,86 0.765,87 1.092,88 18.807,89 6.432,90 109.77,91 6.322,92 0.835,93 0.972,94 22.651,95 6.881,96 117.466,97 7.825,98 0.409,99 0.779,100 13.789,101 5.716,102 67.933,103 6.207,104 54,105 44,106 0.325,107 0.694,108 0.815,109 0.862,110 0.862,111 0.862,112 3.375,113 0.934,114 -3.15,115 -3.14,116 -3.02,119 40.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 6,174 4,175 7,183 5,186 2,187 13,195 3,198 5,199 18,207 2,211 10,212 15,223 3,224 3,232 1,236 5,237 4,245 3,249 1,250 6,258 2,262 2,263 9,271 4,275 1166,276 18.264,277 18.264,278 18.264,279 18.264,280 18.264,281 15.564,282 12.623,283 10.355,284 18.571,285 14.656,286 14.656,287 14.656,288 14.656,289 14.656,290 10.37,291 7.711,292 4.724,293 15.201,294 3.483,295 1.312,296 0.598,297 0.322,298 0.322,299 0.322,300 4.047,304 1,305 1,306 616,307 4.301,310 65.932,311 180.164,314 122.05,318 1.5,319 50.435,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 63,331 294,332 4.998,333 4.767,334 7.775,335 4.507,336 3.579,337 4.853,338 2.612,339 14.158,340 3.296,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.361,349 2.991,350 4.228,351 3.75,352 6.359,353 3.733,354 2.756,355 3.893,357 9.186,358 2.691,359 3.893,360 3.097,361 5.462,362 3.349,363 2.357,364 3.275,366 6.735,367 2.336,368 3.695,369 2.66,370 5.292,371 3.191,372 2.208,373 3.153,375 6.389,376 2.166,377 3.467,378 2.383,379 5.096,380 2.936,381 1.975,382 2.79,384 5.918,385 1.892,386 3.024,387 2.202,388 4.693,389 2.569,390 1.614,391 2.124,393 4.362,394 1.53,395 3.011,396 1.902,397 4.156,398 2.32,399 1.323,400 2.015,402 3.434,403 1.319,404 2.894,405 1.787,406 3.923,407 2.227,408 1.258,409 1.84,411 2.969,412 1.216,413 2.721,414 1.369,415 3.733,416 2.056,417 1.067,418 1.681,420 2.717,421 1.054,422 2.631,423 1.204,424 3.321,425 1.793,426 0.831,427 1.252,428 1.875,429 0.797,430 2.199,431 1.008,432 3.113,433 1.418,434 0.482,435 0.836,436 0.894,437 0.449,438 1.855,439 1,440 2.799,441 1.168,442 0.226,443 0.361,445 0.431,446 0.212,447 1.121,448 0.651,449 2.738,450 0.758,451 -0.214,452 -0.268,454 -0.532,455 -0.205,456 1,457 0.441,458 2.35,459 0.393,460 -0.579,461 -0.803,463 -1.265,464 -0.56,465 13.067,466 0.467,467 0.921,468 0.033,469 42.25,470 1.509,471 24.5,472 0.875,473 17.75,474 0.634,475 18.997,476 0.678,477 29.533,478 0.703,479 35.542,480 1.269,481 8.334,482 0.298,483 4.917,484 0.176,485 0.209,486 0.064,487 0.321,493 0.339,494 1.188,495 0.723,496 1.21,497 0.557,498 0.907,499 0.593,500 1.08,501 0.685,502 0.828,503 0.477,504 0.74,505 0.856,506 1.276,507 1.166,508 1.279,509 0.698,510 1.047,511 1.252,512 1.235,513 1.458,514 1.469,515 1.303,516 1.182,517 1.401,518 0.797,519 1.044,520 0.759,521 1.348,522 0.899,523 1.287,524 1.103,525 1.2,526 1.076,527 1.198,528 1.175,529 1.059,530 0.629,531 0.987,532 0.693,533 1.064,534 0.84,535 0.87,536 0.891,537 0.865,538 0.935,539 0.862,540 0.894,541 7,542 0.176,543 4.667,544 3.042,545 2.244,546 1.156,547 0.584,548 0.441,549 0.362,550 0.28,551 8939,552 34363,553 1.964,554 33.3,555 3,556 8,557 1,558 2,564 1.712,565 1.778,566 3.337,567 -0.601,568 1,569 1,573 80.178,574 1.909,575 4.08,576 4.794,577 5.071,578 5.071,579 5.071,580 2.7,581 4.352,582 4.784,583 3.522,584 1331.5,585 8.321,586 17433.4,588 1,590 1,591 226.477,592 1.728,593 4.694,594 0.233,595 0.007,596 0.106,597 0.063,598 0.049,599 0.028,600 0.019,601 0.016,602 0.013,603 0.009,604 0.545,605 0.33,606 0.88,607 0.944,608 139.767,609 0.273,610 -0.002,611 0.214,612 -0.092,613 -0.052,614 -0.028,615 0.2,616 0.002,617 0.187,618 0.161,619 0.217,620 0.167,621 -0.074,622 -0.171,623 -0.098,624 -0.148,625 0.016,626 -0.113,627 -0.159,628 -0.209,629 -0.238,630 -0.313,631 -0.192,632 -0.225,633 -0.01,634 0.126,635 -0.092,636 0.12,637 0.058,638 0.004,639 -0.231,640 -0.137,641 -0.199,642 -0.119,643 -0.171,644 -0.214,645 -0.026,646 0.253,647 0.092,648 0.266,649 -0.068,650 0.244,651 -0.034,652 0.029,653 0.127,654 0.113,655 -0.045,656 0.183,657 5.167,658 5.846,659 0.536,660 22.571,661 1.036,662 1.129,663 1.916,664 3.673,665 0.703,666 3.434,667 3.807,668 4.094,669 4.331,670 4.489,671 4.443,672 4.466,673 4.511,674 4.522,675 4.511,676 6.371,677 0.697,678 398.44,679 3.434,680 5.004,681 5.872,682 6.777,683 7.666,684 8.572,685 9.468,686 10.374,687 11.272,688 12.179,689 14.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 42,733 22,734 1,735 30,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 28,852 1,859 1,861 1,866 1,868 1,870 9.5,873 2,876 2,877 15.75,878 8.45,879 6.139,880 2.244,881 4.09,882 1.564,883 0.97,884 5.151,885 11.338,886 3.829,887 4.497,888 5.102,889 5.698,890 6.207,891 6.498,892 6.877,893 7.149,894 7.373,895 7.594,896 0.857,897 48,898 10.701,900 5.046,901 8.336,902 18.592,904 15.03,905 2.836,906 79.417,909 1,910 164.795,911 130.163,912 72.615,914 95.06,916 5.807,917 124.355,918 259.855,919 72.615,920 22.892,922 62.236,923 110.167,924 73.194,925 13.915,926 129.482,927 50.747,928 164.795,929 196.971,930 95.06,931 5.807,933 164.795,934 44.313,935 50.747,937 68.155,938 97.435,939 37.188,941 164.795,942 167.675,943 130.163,945 5.807,946 164.795,947 16.008,948 99.975,949 16.602,950 159.445,951 164.795,952 167.675,953 130.163,955 0.596,956 0.363,957 0.19,958 0.102,959 21,960 11,961 0.114,962 5,963 1,964 1.133,965 3.749,966 243.619,967 0.133,968 15,969 126.606,973 1,974 19.5,975 7.397,976 3.618,977 0.565,978 160.841,979 10.28,980 4.103,984 0.214,987 462.633,988 45,990 -0.744,991 -4.25,993 48.174,995 1.269,996 3.923,999 43.531,1000 47.408,1001 0.354,1002 0.757,1003 0.889,1004 0.94,1005 0.94,1006 0.94,1007 5.088,1008 1.323,1009 5.922,1010 4.362,1011 4.489,1012 5.185,1013 3.019,1014 6.834,1015 4.412,1016 6.373,1017 1.258,1018 7.563,1019 3.434,1020 4.369,1021 5.352,1022 2.361,1023 8.164,1024 4.223,1025 7.748,1026 1.067,1027 9.322,1028 2.969,1029 6.225,1030 7.59,1031 4.585,1032 11.27,1033 6.042,1034 9.168,1035 0.831,1036 11.153,1037 2.717,1038 6.919,1039 8.573,1040 4.506,1041 13.448,1042 6.642,1043 10.623,1044 0.482,1045 13.034,1046 1.875,1047 8.331,1048 10.344,1049 6.263,1050 16.193,1051 8.008,1052 12.105,1053 0.226,1054 14.951,1055 0.894,1056 9.357,1057 11.66,1058 6.556,1059 18.673,1060 8.933,1061 13.607,1062 -0.214,1063 16.894,1064 0.431,1065 10.639,1066 13.28,1067 8.011,1068 21.335,1069 10.153,1070 3.579,1071 -0.579,1072 18.857,1073 -0.532,1074 11.798,1075 14.733,1076 8.548,1077 23.92,1078 11.214,1079 3.091,1080 14.158,1081 20.838,1082 -1.265,1083 13.048,1084 16.305,1085 9.813,1086 26.566,1087 12.388,1088 2.756,1089 10.361,1090 22.831,1091 4.853,1092 14.262,1093 17.816,1094 10.509,1095 29.19,1096 13.508,1097 2.357,1098 9.186,1099 24.835,1100 4.519,1101 15.51,1102 19.375,1103 11.655,1104 31.834,1105 14.672,1106 2.208,1107 6.735,1108 26.847,1109 3.893,1110 16.749,1111 20.912,1112 12.452,1113 34.473,1114 15.818,1115 1.975,1116 6.389,1117 28.866,1118 3.275,1119 18.001,1120 22.468,1121 13.525,1122 37.119,1123 16.983,1124 1.614,1125 5.918,1126 30.891,1127 3.153,1128 19.253,1129 24.018,1130 14.386,1131 39.764,1132 18.144,1133 8848,1134 17530,1135 18.898,1136 29.546,1137 47.356,1138 50.534,1139 48.536,1140 45.516,1141 45.537,1142 65.183,1143 9.294,1144 138.858,1145 43.9,1146 5.808,1147 6.767,1148 7.324,1149 5.572,1150 5.579,1151 7.853,1152 4.647,1153 22.518,1154 5.296,1155 17.645,1156 1.579,1157 1.684,1158 1.618,1159 1.517,1160 1.518,1161 2.173,1162 0.31,1163 4.629,1164 1.463,1165 4.15,1166 4.179,1167 4.744,1168 4.09,1169 7.816,1170 4.033,1171 4.086,1172 4.093,1173 4.088,1174 3.97,1175 7.715,1176 3.976,1177 3.743,1178 3.75,1179 3.855,1180 3.595,1181 6.999,1182 3.541,1183 3.517,1184 3.55,1185 3.479,1186 3.392,1187 6.999,1188 3.392,1189 3.487,1190 3.519,1191 3.456,1192 3.129,1193 6.82,1194 3.195,1195 3.212,1196 3.258,1197 3.191,1198 2.976,1199 5.071,1200 2.997,1201 3.108,1202 3.189,1203 2.924,1204 2.885,1205 4.659,1206 2.899,1207 3.056,1208 3.135,1209 2.899,1210 2.824,1211 4.581,1212 2.819,1213 0.167,1214 0.159,1215 0.259,1216 0.15,1217 0.119,1218 4.998,1219 0.162,1220 4.767,1221 0.087,1222 7.775,1223 0.472,1224 4.507,1225 0.11,1226 3.579,1227 4.853,1228 2.612,1229 14.158,1230 3.296,1231 1.995,1232 2.001,1233 2.02,1234 2.117,1235 1.239,1236 2.113,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.107,1242 2.038,1243 1.589,1244 1.568,1245 1.685,1246 1.826,1247 0.788,1248 1.811,1249 1.432,1250 1.42,1251 1.562,1252 1.698,1253 0.631,1254 1.622,1255 1.296,1256 1.247,1257 1.56,1258 1.594,1259 0.608,1260 1.601,1261 1.149,1262 1.088,1263 1.247,1264 1.385,1265 0.42,1266 1.391,1267 1.104,1268 1.034,1269 1.21,1270 1.362,1271 0.133,1272 1.35,1273 1.003,1274 0.951,1275 1.05,1276 1.294,1277 0.081,1278 1.336,1279 4.111,1281 5.468,1282 2.398,1283 7.024,1284 4.727,1285 8.672,1286 6.823,1287 10.371,1289 2.667,1300 0.667,1303 9.017,1304 2.014,1305 29.282,1306 80.178,1307 171.358,1308 201.358,1309 212.968,1310 212.968,1311 212.968,1312 77.255,1313 7.248,1314 136.65,1315 145.03,1316 17,1317 12.698,1318 4.524,1319 4,1320 49.69,1321 108,1322 109,1323 0.227,1324 187.34,1325 323.51,1326 448.87,1327 13573,1329 20.474,1330 0.731,1331 0.559,1332 20.724,1333 15.66,1334 13.251,1335 0.442,1336 0.311,1337 7.865,1338 11.753,1339 7.52,1340 6.289,1341 14.04,1342 9.339,1343 12.49,1344 0.284,1345 0.175,1346 13.814,1347 7.708,1348 10.475,1349 0.178,1350 0.099,1351 11.861,1352 5.87,1353 8.321,1354 0.111,1355 0.053,1356 9.535,1357 3.94,1358 6.506,1359 0.074,1360 0.028,1361 7.482,1362 2.473,1363 0.354,1364 92.767,1365 0.23,1366 26.485,1367 0.628,1368 148,1369 567.673,1370 207.559,1371 567.468,1372 751.94,1373 516,1374 177,1375 528.618,1376 247.102,1377 565.269,1378 814.9,1379 525,1380 7.854}
{0 CHEMBL1928566,1 1.809,2 11.655,3 2.346,4 5.505,5 110.078,6 8.734,7 0.516,8 3.962,9 4.065,10 3.803,11 3.53,12 5.184,13 3.508,14 4.461,15 4.614,16 4.119,17 3.881,18 5.836,19 3.86,20 4.65,21 4.793,22 4.182,23 4.036,24 6.024,25 3.99,26 4.779,27 4.956,28 4.122,29 4.021,30 6.116,31 3.962,32 4.741,33 4.936,34 4.034,35 3.917,36 6.078,37 3.861,38 4.652,39 4.846,40 4.041,41 3.871,42 5.935,43 3.805,44 4.695,45 4.917,46 3.944,47 3.808,48 6.177,49 3.74,50 4.53,51 4.724,52 3.745,53 3.744,54 5.826,55 3.671,56 0.157,57 0.773,58 9.699,59 4.216,60 16.544,61 4.532,62 0.46,63 1.164,64 16.414,65 6.39,66 52.575,67 7.586,68 0.499,69 1.378,70 22.809,71 8.37,72 55.709,73 8.546,74 0.597,75 1.447,76 29.392,77 9.89,78 83.293,79 10.671,80 0.77,81 1.336,82 27.194,83 9.004,84 103.656,85 9.975,86 0.526,87 1.29,88 24.612,89 8.074,90 69.572,91 9.254,92 0.894,93 1.232,94 29.683,95 8.744,96 122.453,97 10.491,98 0.572,99 1.035,100 21.41,101 7.695,102 85.234,103 8.693,104 55,105 45,106 0.303,107 0.687,108 0.809,109 0.871,110 0.871,111 0.871,112 3.408,113 0.963,114 -2.58,115 -2.61,116 -2.54,119 40.4,120 2,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 2,166 2,172 5,174 3,175 7,178 1,180 3,183 6,186 2,187 12,192 1,195 4,198 2,199 12,204 1,207 3,211 3,212 11,215 3,217 1,220 1,223 1,224 4,227 1,232 3,236 8,237 7,245 3,249 2,250 7,255 1,258 3,263 6,271 4,275 1359,276 18.866,277 18.866,278 18.866,279 18.866,280 18.866,281 16.291,282 16.126,283 10.782,284 19.152,285 15.178,286 15.178,287 15.178,288 15.178,289 15.178,290 11.028,291 15.42,292 4.998,293 15.692,294 3.745,295 1.45,296 0.721,297 0.346,298 0.346,299 0.346,300 4.081,304 1,305 1,306 709,307 4.416,310 70.732,311 190.481,314 130.732,318 1.691,319 42.966,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 64,331 338,332 4.958,333 4.741,334 7.698,335 4.461,336 3.534,337 4.8,338 2.035,339 13.727,340 3.252,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 1.907,348 10.36,349 2.991,350 4.039,351 3.532,352 5.946,353 3.638,354 2.656,355 3.613,356 0.149,357 8.004,358 2.606,359 3.893,360 3.097,361 5.347,362 3.352,363 2.362,364 3.274,366 6.752,367 2.338,368 3.628,369 2.711,370 5.291,371 3.286,372 2.293,373 2.894,375 6.676,376 2.269,377 3.467,378 2.418,379 5.095,380 2.938,381 1.976,382 2.785,384 5.92,385 1.896,386 3.243,387 2.297,388 4.694,389 2.834,390 1.816,391 2.431,393 4.493,394 1.836,395 3.024,396 2.17,397 4.403,398 2.57,399 1.613,400 2.115,402 4.39,403 1.533,404 3.006,405 1.886,406 4.156,407 2.234,408 1.266,409 1.832,411 3.453,412 1.223,413 2.693,414 1.373,415 3.881,416 2.069,417 1.084,418 1.646,420 2.886,421 1.066,422 2.611,423 1.173,424 3.32,425 1.792,426 0.829,427 1.249,428 1.874,429 0.796,430 2.197,431 0.93,432 3.111,433 1.417,434 0.481,435 0.835,436 0.893,437 0.449,438 1.854,439 0.734,440 2.811,441 1.183,442 0.233,443 0.363,445 0.46,446 0.219,447 1.468,448 0.626,449 2.76,450 1.137,451 0.166,452 0.205,454 0.376,455 0.161,456 1,457 0.388,458 2.646,459 0.46,460 -0.51,461 -0.601,463 -1.264,464 -0.485,465 13.733,466 0.474,467 0.954,468 0.033,469 41.75,470 1.44,471 23.5,472 0.81,473 18.25,474 0.629,475 21.474,476 0.74,477 30.667,478 0.652,479 34.733,480 1.198,481 8.259,482 0.285,483 5.458,484 0.188,485 0.211,486 0.061,487 0.313,493 0.5,494 1.284,495 0.769,496 1.242,497 0.592,498 0.935,499 0.637,500 1.106,501 0.689,502 0.842,503 0.53,504 0.756,505 1.177,506 1.171,507 1.326,508 1.197,509 0.966,510 1.045,511 1.28,512 1.178,513 1.323,514 1.284,515 1.256,516 1.128,517 1.35,518 0.896,519 1.109,520 0.93,521 1.402,522 0.966,523 1.124,524 1.175,525 1.087,526 1.182,527 1.074,528 1.101,529 0.87,530 0.802,531 1.11,532 0.959,533 0.834,534 0.891,535 1.36,536 0.836,537 1.044,538 0.893,539 1.374,540 0.991,541 8,542 0.14,543 4.444,544 2.667,545 1.884,546 1.205,547 0.949,548 0.504,549 0.344,550 0.235,551 10222,552 34979,553 1.965,554 38.3,555 3,556 8,557 1,558 2,559 1,560 3,564 1.72,565 1.785,566 3.499,567 -0.234,568 1,569 1,573 85.032,574 1.809,575 4.105,576 4.834,577 5.209,578 5.209,579 5.209,580 2.935,581 4.513,582 4.83,583 3.666,584 1488.47,585 8.414,586 20236.4,588 1,590 1,591 261.066,592 1.713,593 4.748,594 0.258,595 0.006,596 0.099,597 0.057,598 0.044,599 0.031,600 0.026,601 0.014,602 0.011,603 0.008,604 0.555,605 0.33,606 1,607 1.096,608 147.673,609 0.136,610 -0.092,611 0.204,612 -0.118,613 -0.092,614 -0.017,615 0.219,616 -0.016,617 0.22,618 0.145,619 0.175,620 0.167,621 -0.185,622 -0.056,623 -0.232,624 -0.089,625 -0.055,626 -0.128,627 -0.191,628 -0.174,629 -0.199,630 -0.193,631 -0.139,632 -0.155,633 -0.121,634 0.066,635 -0.075,636 0.053,637 -0.173,638 -0.012,639 -0.112,640 -0.168,641 -0.009,642 -0.147,643 -0.112,644 -0.131,645 0.283,646 0.152,647 0.038,648 0.071,649 0.277,650 0.107,651 -0.186,652 0.065,653 -0.082,654 0.085,655 -0.171,656 0.004,657 4.859,658 5.95,659 0.517,660 26.744,661 1.021,662 1.128,663 1.354,664 1.833,665 0.694,666 3.466,667 3.829,668 4.078,669 4.29,670 4.466,671 4.511,672 4.605,673 4.595,674 4.511,675 4.489,676 6.848,677 0.673,678 410.5,679 3.466,680 5.03,681 5.883,682 6.777,683 7.652,684 8.548,685 9.432,686 10.329,687 11.217,688 12.114,689 12.8,692 1,696 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,731 47,733 21,734 1,735 31,737 49,738 19,739 13,740 3,741 3,742 1,746 3,747 4,752 2,760 1,761 15,762 3,766 4,769 1,771 3,773 1,774 1,775 1,778 1,781 18,782 8,783 1,784 10,785 1,790 6,794 0.667,795 3,803 1,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 3,848 29,852 1,855 1,859 1,861 1,866 1,868 1,870 6.4,873 3,877 16.25,878 9.583,879 6.333,880 2.537,881 3.931,882 1.537,883 0.975,884 5.696,885 11.251,886 3.829,887 4.474,888 5.055,889 5.636,890 6.148,891 6.504,892 6.912,893 7.172,894 7.311,895 7.548,896 0.875,897 47,898 10.961,900 4.951,901 8.141,902 19.621,904 15.763,905 2.641,906 76.583,909 1,910 200.109,911 143.692,912 84.956,914 69.458,916 5.807,917 137.885,918 269.567,919 84.956,920 26.047,921 18.011,922 62.236,923 140.017,924 73.194,925 13.915,926 164.795,928 200.109,929 222.841,930 69.458,931 5.807,933 200.109,934 69.458,937 94.991,938 102.14,939 31.518,941 200.109,942 154.414,943 143.692,945 5.807,946 200.109,947 20.713,948 103.13,949 34.612,950 133.843,951 200.109,952 154.414,953 143.692,955 0.594,956 0.345,957 0.175,958 0.094,959 21,960 11,961 0.102,962 5,963 1,964 1.133,965 3.899,966 250.374,967 0.133,968 15,969 138.881,973 1,974 20.537,975 8.043,976 4.295,977 0.627,978 153.25,979 11.083,980 4.153,984 1.962,986 18.011,987 498.215,988 45,991 -3.943,993 37.157,995 1.369,996 4.049,997 -0.298,999 47.971,1000 53.029,1001 0.326,1002 0.739,1003 0.87,1004 0.938,1005 0.938,1006 0.938,1007 5.088,1008 1.613,1009 5.927,1010 4.493,1011 4.511,1012 5.162,1013 2.73,1014 6.808,1015 4.44,1016 6.363,1017 1.266,1018 7.548,1019 4.39,1020 4.369,1021 5.293,1022 1.593,1023 8.084,1024 4.239,1025 7.728,1026 1.084,1027 9.285,1028 3.453,1029 6.221,1030 7.533,1031 3.961,1032 11.157,1033 6.048,1034 9.135,1035 0.829,1036 11.096,1037 2.886,1038 6.878,1039 8.483,1040 3.032,1041 13.296,1042 6.616,1043 10.577,1044 0.481,1045 12.958,1046 1.874,1047 8.289,1048 10.262,1049 5.291,1050 16.014,1051 7.977,1052 12.047,1053 0.233,1054 14.859,1055 0.893,1056 9.286,1057 11.558,1058 4.409,1059 18.462,1060 8.873,1061 13.539,1062 0.166,1063 16.789,1064 0.46,1065 10.561,1066 13.183,1067 6.657,1068 21.095,1069 10.085,1070 3.534,1071 -0.51,1072 18.741,1073 0.376,1074 11.7,1075 14.625,1076 5.75,1077 23.65,1078 11.124,1079 3.091,1080 13.727,1081 20.712,1082 -1.264,1083 12.94,1084 16.197,1085 8.039,1086 26.265,1087 12.289,1088 2.656,1089 10.36,1090 22.697,1091 4.8,1092 14.139,1093 17.701,1094 7.068,1095 28.857,1096 13.391,1097 2.362,1098 8.004,1099 24.693,1100 4.519,1101 15.374,1102 19.256,1103 9.429,1104 31.47,1105 14.544,1106 2.293,1107 6.752,1108 26.698,1109 3.613,1110 16.6,1111 20.786,1112 8.374,1113 34.077,1114 15.676,1115 1.976,1116 6.676,1117 28.709,1118 3.274,1119 17.839,1120 22.337,1121 10.824,1122 36.692,1123 16.829,1124 1.816,1125 5.92,1126 30.727,1127 2.894,1128 19.077,1129 23.879,1130 9.674,1131 39.305,1132 17.976,1133 10114,1134 18876,1135 19.592,1136 32.614,1137 48.639,1138 51.246,1139 49.299,1140 46.755,1141 46.796,1142 65.119,1143 8.181,1144 140.533,1145 45.269,1146 5.769,1147 6.741,1148 7.247,1149 5.526,1150 5.534,1151 7.8,1152 4.069,1153 21.873,1154 5.252,1155 18.406,1156 1.569,1157 1.653,1158 1.59,1159 1.508,1160 1.51,1161 2.101,1162 0.264,1163 4.533,1164 1.46,1165 4.139,1166 4.176,1167 4.741,1168 4.082,1169 7.715,1170 4.025,1171 4.067,1172 4.062,1173 4.088,1174 3.969,1175 7.43,1176 3.968,1177 3.727,1178 3.747,1179 3.776,1180 3.604,1181 6.999,1182 3.553,1183 3.527,1184 3.575,1185 3.476,1186 3.395,1187 6.82,1188 3.399,1189 3.483,1190 3.517,1191 3.418,1192 3.294,1193 5.071,1194 3.308,1195 3.21,1196 3.254,1197 3.19,1198 2.993,1199 4.706,1200 2.994,1201 3.153,1202 3.239,1203 2.959,1204 2.969,1205 4.583,1206 2.971,1207 3.06,1208 3.141,1209 2.918,1210 2.86,1211 4.219,1212 2.848,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.958,1219 0.155,1220 4.741,1221 0.066,1222 7.698,1223 0.443,1224 4.461,1225 0.105,1226 3.534,1227 4.8,1228 2.035,1229 13.727,1230 3.252,1231 1.983,1232 1.987,1233 2.016,1234 2.069,1235 1.234,1236 2.088,1237 1.921,1238 1.889,1239 1.991,1240 2.048,1241 1.107,1242 2.037,1243 1.598,1244 1.578,1245 1.719,1246 1.819,1247 0.796,1248 1.818,1249 1.477,1250 1.44,1251 1.684,1252 1.708,1253 0.729,1254 1.706,1255 1.41,1256 1.377,1257 1.562,1258 1.59,1259 0.631,1260 1.599,1261 1.179,1262 1.098,1263 1.522,1264 1.401,1265 0.593,1266 1.448,1267 1.148,1268 1.087,1269 1.211,1270 1.385,1271 0.42,1272 1.362,1273 1.069,1274 1.002,1275 1.137,1276 1.302,1277 0.134,1278 1.337,1279 4.143,1281 5.493,1282 2.398,1283 7.031,1284 4.727,1285 8.656,1286 6.823,1287 10.331,1289 4.331,1296 2.571,1300 0.852,1303 9.052,1304 2.05,1305 31.621,1306 85.032,1307 192.927,1308 227.191,1309 244.801,1310 244.801,1311 244.801,1312 72.42,1313 7.32,1314 119.93,1315 128.31,1316 17,1317 12.64,1318 4.459,1319 3.907,1320 52.517,1321 119,1322 117,1323 0.215,1324 202.529,1325 349.32,1326 485.93,1327 15050,1329 21.181,1330 0.73,1331 0.579,1332 21.431,1333 16.804,1334 13.718,1335 0.443,1336 0.321,1337 8.488,1338 12.301,1339 8.055,1340 6.762,1341 14.506,1342 9.948,1343 13.041,1344 0.29,1345 0.183,1346 14.383,1347 8.221,1348 10.553,1349 0.182,1350 0.103,1351 11.939,1352 5.96,1353 8.195,1354 0.114,1355 0.054,1356 9.249,1357 3.882,1358 6.341,1359 0.074,1360 0.029,1361 7.154,1362 2.517,1363 0.339,1364 94.652,1365 0.226,1366 27.531,1367 0.585,1368 152,1369 526.625,1370 209.651,1371 532.973,1372 714.22,1373 488,1374 179,1375 498.143,1376 244.162,1377 541.556,1378 779.12,1379 504,1380 6}
{0 CHEMBL1928567,1 2.058,2 12.469,3 3.434,4 11.795,5 111.089,6 9.882,7 0.471,8 3.991,9 4.083,10 3.898,11 3.524,12 5.304,13 3.542,14 4.519,15 4.652,16 4.297,17 3.875,18 6.327,19 3.905,20 4.685,21 4.814,22 4.341,23 4.032,24 6.415,25 4.021,26 4.804,27 4.972,28 4.198,29 4.016,30 6.227,31 3.989,32 4.767,33 4.951,34 4.182,35 3.91,36 6.246,37 3.908,38 4.708,39 4.88,40 4.199,41 3.86,42 6.203,43 3.868,44 4.737,45 4.94,46 4.227,47 3.795,48 6.298,49 3.805,50 4.607,51 4.766,52 4.159,53 3.732,54 6.567,55 3.76,56 0.304,57 0.979,58 6.65,59 4.299,60 56.27,61 3.733,62 1.152,63 1.812,64 13.468,65 6.583,66 193.69,67 6.217,68 1.109,69 1.577,70 18.743,71 8.432,72 164.736,73 7.706,74 1.15,75 1.568,76 26.58,77 9.962,78 194.858,79 9.314,80 1.223,81 1.535,82 24.935,83 9.073,84 196.492,85 8.887,86 1.151,87 1.611,88 21.483,89 8.263,90 186.077,91 7.134,92 1.302,93 1.534,94 29.334,95 8.969,96 233.84,97 8.985,98 1.535,99 1.4,100 19.862,101 7.825,102 279.981,103 7.908,104 88,105 51,106 0.344,107 0.723,108 0.83,109 0.871,110 0.871,111 0.871,112 3.502,113 0.906,114 -2.92,115 -2.93,116 -2.83,119 40.4,120 1,124 1,132 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 2,166 2,172 5,174 3,175 6,178 1,180 2,183 6,186 2,187 12,192 1,195 4,198 2,199 12,204 1,207 1,211 3,212 11,215 3,217 1,223 1,224 4,227 1,232 2,236 8,237 4,245 2,249 2,250 6,255 1,258 3,263 6,271 4,275 1852,276 20.338,277 20.338,278 20.338,279 20.338,280 20.338,281 17.854,282 17.457,283 11.351,284 20.887,285 16.619,286 16.619,287 16.619,288 16.619,289 16.619,290 12.531,291 16.465,292 5.244,293 17.625,294 3.496,295 1.231,296 0.593,297 0.346,298 0.346,299 0.346,300 4.171,304 1,305 1,306 831,307 5.05,310 80.702,311 216.492,314 149.112,318 1.969,319 68.982,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 74.5,331 399,332 4.958,333 4.741,334 7.698,335 4.462,336 3.534,337 4.8,338 3.943,339 13.727,340 3.252,341 4.562,342 4.575,343 7.058,344 4.147,345 3.291,346 4.519,347 2.035,348 11.369,349 2.991,350 4.389,351 4.058,352 6.547,353 4.059,354 3.091,355 3.65,356 1.5,357 10.36,358 2.834,359 4.001,360 3.114,361 5.943,362 3.587,363 2.609,364 3.46,365 0.095,366 7.965,367 2.543,368 3.892,369 3.096,370 5.297,371 3.348,372 2.357,373 3.274,375 6.736,376 2.335,377 3.493,378 2.701,379 5.275,380 3.118,381 2.161,382 2.8,384 6.524,385 2.054,386 3.43,387 2.414,388 5.095,389 2.931,390 1.969,391 2.718,393 5.918,394 1.889,395 3.024,396 2.292,397 4.692,398 2.571,399 1.614,400 2.115,402 4.398,403 1.533,404 3.007,405 2.169,406 4.253,407 2.312,408 1.355,409 1.832,411 3.667,412 1.239,413 2.767,414 1.886,415 4.156,416 2.234,417 1.266,418 1.716,420 3.452,421 1.223,422 2.693,423 1.373,424 3.881,425 2.069,426 1.083,427 1.646,428 2.883,429 1.066,430 2.611,431 1.173,432 3.32,433 1.792,434 0.829,435 1.249,436 1.874,437 0.796,438 2.197,439 0.93,440 3.112,441 1.417,442 0.481,443 0.834,445 0.892,446 0.449,447 1.854,448 0.7,449 2.933,450 1.175,451 0.229,452 0.362,454 0.44,455 0.215,456 1.461,457 0.62,458 2.797,459 1.11,460 0.125,461 0.157,463 0.292,464 0.122,465 14.59,466 0.456,467 1.243,468 0.039,469 44,470 1.375,471 23.5,472 0.734,473 20.5,474 0.641,475 24.746,476 0.773,477 35.21,478 0.749,479 41.314,480 1.291,481 8.898,482 0.278,483 6.031,484 0.188,485 0.223,486 0.091,487 0.295,490 3,493 0.538,494 1.052,495 0.697,496 1.232,497 0.619,498 0.915,499 0.497,500 0.825,501 0.638,502 0.834,503 0.46,504 0.765,505 0.538,506 0.778,507 1.166,508 1.172,509 0.498,510 1.096,511 0.939,512 0.875,513 1.348,514 1.26,515 0.941,516 1.217,517 0.95,518 0.804,519 1.029,520 0.927,521 0.972,522 0.96,523 1.215,524 1.129,525 1.208,526 1.175,527 1.152,528 1.144,529 0.835,530 0.862,531 0.909,532 0.968,533 0.912,534 0.873,535 0.68,536 0.854,537 0.781,538 0.892,539 0.743,540 0.929,541 10,542 0.156,543 5.556,544 2.792,545 2.204,546 1.372,547 1.012,548 0.899,549 0.468,550 0.275,551 13363,552 59120,553 1.926,554 31.9,555 3,556 8,557 1,558 2,559 1,564 1.745,565 1.73,566 3.583,567 -0.186,569 1,573 96.732,574 2.058,575 4.323,576 4.962,577 5.209,578 5.209,579 5.209,580 3.079,581 4.664,582 4.972,583 3.79,584 1879.78,585 8.698,586 27676,591 261.066,592 1.81,593 4.87,594 0.294,595 0.006,596 0.109,597 0.053,598 0.048,599 0.03,600 0.024,601 0.022,602 0.011,603 0.008,604 0.605,605 0.33,606 0.88,607 1.233,608 168.745,609 0.028,610 -0.081,611 0.154,612 -0.115,613 -0.095,614 -0.018,615 0.351,616 0.201,617 0.215,618 0.154,619 0.333,620 0.13,621 0.192,622 0.105,623 -0.159,624 -0.075,625 0.224,626 -0.166,627 -0.174,628 -0.105,629 -0.263,630 -0.187,631 -0.141,632 -0.188,633 -0.114,634 -0.075,635 -0.005,636 0.04,637 -0.105,638 0.062,639 -0.257,640 -0.158,641 -0.151,642 -0.143,643 -0.209,644 -0.172,645 0.085,646 -0.059,647 0.255,648 0.049,649 0.009,650 0.187,651 0.435,652 0.114,653 0.201,654 0.087,655 0.387,656 0.068,657 6.37,658 5.925,659 0.469,660 33.367,661 1.053,662 1.15,663 1.694,664 2.868,665 0.69,666 3.555,667 3.951,668 4.174,669 4.331,670 4.533,671 4.575,672 4.691,673 4.787,674 4.663,675 4.615,676 7.435,677 0.697,678 464.47,679 3.555,680 5.142,681 5.994,682 6.893,683 7.768,684 8.664,685 9.547,686 10.444,687 11.33,688 12.226,689 12.8,692 1,696 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,731 47,733 21,734 1,735 34,737 49,738 19,739 13,740 3,741 3,742 1,746 3,747 4,752 2,757 1,760 1,761 15,762 3,766 4,769 1,771 3,773 1,774 1,775 1,778 1,779 3,781 15,782 11,783 1,784 13,785 1,790 6,794 0.667,795 3,803 1,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 2,846 3,848 32,852 1,855 1,859 1,860 1,861 1,866 1,868 1,869 3,870 6.4,873 3,877 18.5,878 9.262,879 6.833,880 2.457,881 3.943,882 1.525,883 0.976,884 6.274,885 11.455,886 3.892,887 4.541,888 5.111,889 5.647,890 6.167,891 6.524,892 6.939,893 7.234,894 7.359,895 7.594,896 1,897 53,898 13.28,900 7.184,901 8.62,902 20.869,904 16.857,905 3.12,906 99.833,910 164.795,911 142.627,912 84.956,914 69.458,915 44.88,916 5.807,917 136.819,918 234.253,919 129.836,920 17.222,921 18.011,922 62.236,923 140.017,924 118.074,925 13.915,926 129.482,927 7.76,928 164.795,929 221.775,930 114.338,931 5.807,933 164.795,934 114.338,937 93.925,938 102.14,939 31.518,941 209.676,942 154.414,943 142.627,945 5.807,946 172.555,947 20.713,948 94.305,949 34.612,950 178.724,951 164.795,952 199.294,953 142.627,955 0.608,956 0.353,957 0.159,958 0.086,959 24,960 13,961 0.102,962 5,963 1,964 1.133,965 4.083,966 286.989,967 0.133,968 15,969 153.245,973 1,974 23.277,975 8.625,976 4.937,977 0.52,978 198.13,979 9.465,980 4.081,984 0.394,986 18.011,987 506.717,988 48,991 -4.259,993 37.003,995 1.228,996 3.908,997 -2.221,999 49.509,1000 54.048,1001 0.371,1002 0.778,1003 0.893,1004 0.938,1005 0.938,1006 0.938,1007 5.176,1008 1.614,1009 6.075,1010 5.918,1011 4.635,1012 5.228,1013 3.56,1014 6.984,1015 4.521,1016 6.466,1017 1.355,1018 7.724,1019 4.398,1020 4.635,1021 5.407,1022 3.979,1023 8.371,1024 4.385,1025 7.843,1026 1.266,1027 9.491,1028 3.667,1029 6.415,1030 7.595,1031 5.707,1032 11.389,1033 6.154,1034 9.261,1035 1.083,1036 11.327,1037 3.452,1038 7.171,1039 8.561,1040 6.838,1041 13.552,1042 6.763,1043 10.711,1044 0.829,1045 13.209,1046 2.883,1047 8.549,1048 10.315,1049 8.284,1050 16.234,1051 8.103,1052 12.186,1053 0.481,1054 15.122,1055 1.874,1056 9.592,1057 11.609,1058 9.6,1059 18.667,1060 9.015,1061 13.68,1062 0.229,1063 17.058,1064 0.892,1065 10.854,1066 13.22,1067 10.988,1068 21.273,1069 10.214,1070 3.534,1071 0.125,1072 19.012,1073 0.44,1074 12.007,1075 14.657,1076 12.347,1077 23.805,1078 11.254,1079 3.291,1080 13.727,1081 20.98,1082 0.292,1083 13.238,1084 16.221,1085 13.723,1086 26.397,1087 12.409,1088 3.091,1089 11.369,1090 22.958,1091 4.8,1092 14.436,1093 17.72,1094 15.092,1095 28.97,1096 13.506,1097 2.609,1098 10.36,1099 24.945,1100 4.519,1101 15.662,1102 19.27,1103 16.464,1104 31.566,1105 14.649,1106 2.357,1107 7.965,1108 26.939,1109 3.65,1110 16.88,1111 20.797,1112 17.836,1113 34.158,1114 15.774,1115 2.161,1116 6.736,1117 28.939,1118 3.46,1119 18.109,1120 22.345,1121 19.208,1122 36.76,1123 16.918,1124 1.969,1125 6.524,1126 30.944,1127 3.274,1128 19.337,1129 23.886,1130 20.58,1131 39.362,1132 18.057,1133 13267,1134 28161,1135 20.978,1136 32.426,1137 54.325,1138 55.725,1139 54.65,1140 52.252,1141 51.989,1142 70.263,1143 15.145,1144 160.993,1145 49.081,1146 5.812,1147 6.741,1148 7.247,1149 5.532,1150 5.534,1151 7.8,1152 5.978,1153 21.873,1154 5.252,1155 22.395,1156 1.598,1157 1.639,1158 1.607,1159 1.537,1160 1.529,1161 2.067,1162 0.445,1163 4.735,1164 1.444,1165 4.14,1166 4.176,1167 4.741,1168 4.082,1169 8.516,1170 4.025,1171 4.067,1172 4.063,1173 4.088,1174 3.969,1175 7.999,1176 3.968,1177 3.74,1178 3.757,1179 3.8,1180 3.603,1181 7.999,1182 3.556,1183 3.586,1184 3.62,1185 3.595,1186 3.394,1187 7.715,1188 3.403,1189 3.492,1190 3.522,1191 3.474,1192 3.288,1193 7.42,1194 3.343,1195 3.213,1196 3.266,1197 3.191,1198 2.99,1199 6.999,1200 2.998,1201 3.181,1202 3.253,1203 3.048,1204 2.969,1205 6.82,1206 2.983,1207 3.06,1208 3.141,1209 2.918,1210 2.86,1211 5.071,1212 2.848,1213 0.146,1214 0.139,1215 0.226,1216 0.131,1217 0.104,1218 4.958,1219 0.141,1220 4.741,1221 0.116,1222 7.698,1223 0.404,1224 4.462,1225 0.096,1226 3.534,1227 4.8,1228 3.943,1229 13.727,1230 3.252,1231 1.982,1232 1.987,1233 2.013,1234 2.069,1235 1.234,1236 2.088,1237 1.921,1238 1.889,1239 1.991,1240 2.049,1241 1.107,1242 2.037,1243 1.594,1244 1.576,1245 1.686,1246 1.821,1247 0.791,1248 1.811,1249 1.451,1250 1.432,1251 1.571,1252 1.717,1253 0.631,1254 1.651,1255 1.375,1256 1.347,1257 1.562,1258 1.591,1259 0.626,1260 1.595,1261 1.149,1262 1.087,1263 1.338,1264 1.405,1265 0.43,1266 1.421,1267 1.147,1268 1.083,1269 1.211,1270 1.385,1271 0.249,1272 1.356,1273 1.068,1274 1.001,1275 1.132,1276 1.303,1277 0.132,1278 1.337,1279 4.234,1281 5.609,1282 2.398,1283 7.165,1284 4.727,1285 8.797,1286 6.823,1287 10.471,1289 2.604,1291 37.465,1296 1.623,1300 0.641,1301 -5.12,1303 9.034,1304 1.989,1305 32.771,1306 96.732,1307 203.191,1308 233.191,1309 244.801,1310 244.801,1311 244.801,1312 102.101,1313 7.513,1314 119.93,1315 128.31,1316 17,1317 12.753,1318 4.459,1319 3.907,1320 61.264,1321 141,1322 143,1323 0.208,1324 206.123,1325 367.53,1326 494.701,1327 19499,1328 6.4,1329 23.681,1330 0.74,1331 0.545,1332 21.431,1333 17.438,1334 14.929,1335 0.439,1336 0.302,1337 8.729,1338 13.241,1339 8.414,1340 6.979,1341 14.506,1342 10.265,1343 14.914,1344 0.292,1345 0.166,1346 14.383,1347 8.491,1348 11.914,1349 0.186,1350 0.096,1351 11.939,1352 6.155,1353 8.382,1354 0.112,1355 0.052,1356 9.249,1357 3.881,1358 6.734,1359 0.073,1360 0.028,1361 7.154,1362 2.56,1363 0.33,1364 104.17,1365 0.218,1366 29.951,1367 0.563,1368 170,1369 802.959,1370 244.668,1371 712.994,1372 921.94,1373 650,1374 200,1375 622.143,1376 278.005,1377 645.475,1378 954.74,1379 600,1380 6}
{0 CHEMBL1928568,1 1.797,2 10.346,3 2.479,4 6.146,5 101.697,6 8.773,7 0.571,8 3.858,9 3.965,10 3.717,11 3.438,12 5.083,13 3.412,14 4.343,15 4.492,16 4.028,17 3.8,18 5.711,19 3.773,20 4.531,21 4.674,22 4.103,23 3.953,24 5.905,25 3.897,26 4.688,27 4.871,28 4.003,29 3.903,30 6.018,31 3.834,32 4.602,33 4.811,34 3.861,35 3.74,36 5.986,37 3.683,38 4.461,39 4.656,40 3.765,41 3.66,42 5.795,43 3.595,44 4.493,45 4.754,46 3.616,47 3.589,48 5.74,49 3.491,50 4.21,51 4.424,52 3.535,53 3.527,54 5.364,55 3.436,56 0.15,57 0.709,58 8.999,59 3.729,60 18.424,61 3.966,62 0.378,63 1.061,64 14.33,65 5.685,66 45.874,67 6.64,68 0.346,69 1.264,70 20.062,71 7.73,72 35.103,73 8.096,74 0.545,75 1.322,76 27.741,77 9.058,78 81.877,79 9.594,80 0.683,81 1.166,82 25.551,83 7.854,84 105.669,85 8.7,86 0.454,87 1.08,88 19.184,89 6.115,90 61.579,91 6.97,92 0.61,93 1.009,94 23.457,95 6.904,96 70.867,97 8.903,98 0.256,99 0.799,100 16.181,101 6.205,102 36.975,103 7.595,104 38,105 41,106 0.308,107 0.699,108 0.822,109 0.869,110 0.869,111 0.869,112 3.304,113 0.968,114 -2.52,115 -2.54,116 -2.49,119 40.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,163 1,164 1,165 1,166 2,172 5,174 3,175 6,180 2,183 6,185 2,186 2,187 12,192 1,195 4,197 1,198 2,199 10,204 1,207 1,209 1,211 3,212 10,214 3,215 3,217 1,222 1,223 1,224 3,226 1,227 1,232 2,236 5,237 3,245 2,249 1,250 6,255 1,258 3,260 1,263 6,271 4,275 930,276 17.004,277 17.004,278 17.004,279 17.004,280 17.004,281 14.584,282 12.449,283 9.629,284 17.289,285 13.678,286 13.678,287 13.678,288 13.678,289 13.678,290 9.804,291 8.161,292 4.435,293 14.194,294 3.595,295 1.312,296 0.598,297 0.322,298 0.322,299 0.322,300 3.977,303 1,304 1,305 1,306 568,307 3.937,310 61.14,311 165.675,314 112.988,318 1.45,319 36.694,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57,331 269,332 4.958,333 4.741,334 7.697,335 4.46,336 3.533,337 4.799,338 2.035,339 13.726,340 3.251,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,348 10.36,349 2.991,350 3.993,351 3.097,352 5.928,353 3.569,354 2.58,355 3.58,357 7.797,358 2.55,359 3.892,360 2.707,361 5.292,362 3.348,363 2.356,364 3.274,366 6.731,367 2.335,368 3.479,369 2.408,370 5.097,371 3.031,372 2.059,373 2.796,375 5.933,376 1.999,377 3.377,378 2.271,379 4.941,380 2.927,381 1.961,382 2.672,384 5.616,385 1.887,386 3.024,387 2.154,388 4.684,389 2.57,390 1.613,391 2.115,393 4.397,394 1.533,395 3.007,396 1.886,397 4.156,398 2.234,399 1.266,400 1.832,402 3.453,403 1.223,404 2.693,405 1.372,406 3.881,407 2.069,408 1.084,409 1.646,411 2.886,412 1.066,413 2.611,414 1.173,415 3.32,416 1.792,417 0.829,418 1.249,420 1.874,421 0.796,422 2.197,423 0.93,424 3.111,425 1.417,426 0.481,427 0.834,428 0.892,429 0.449,430 1.854,431 0.635,432 2.804,433 1.171,434 0.228,435 0.361,436 0.435,437 0.214,438 1.37,439 0.465,440 2.747,441 1.057,442 0.085,443 0.104,445 0.185,446 0.082,447 1,448 -0.028,449 2.367,450 0.376,451 -0.586,452 -0.806,454 -1.265,455 -0.563,456 0.928,457 -0.081,458 2.35,459 0.202,460 -0.751,461 -0.955,463 -2.09,464 -0.696,465 12.4,466 0.477,467 0.848,468 0.033,469 38.25,470 1.471,471 22,472 0.846,473 16.25,474 0.625,475 17.849,476 0.686,477 27.2,478 0.648,479 30.252,480 1.164,481 7.515,482 0.289,483 4.809,484 0.185,485 0.199,486 0.067,487 0.306,493 0.518,494 1.19,495 0.788,496 1.193,497 0.679,498 0.887,499 0.687,500 1.08,501 0.702,502 0.824,503 0.545,504 0.74,505 0.995,506 1.257,507 1.291,508 1.308,509 0.799,510 1.105,511 1.47,512 1.181,513 1.383,514 1.305,515 1.476,516 1.155,517 1.464,518 0.867,519 1.15,520 0.924,521 1.446,522 0.917,523 1.396,524 1.155,525 1.167,526 1.116,527 1.286,528 1.16,529 0.925,530 0.625,531 0.889,532 0.685,533 0.921,534 0.793,535 0.785,536 0.819,537 0.804,538 0.895,539 0.801,540 0.858,541 7,542 0.123,543 4.444,544 2.417,545 1.764,546 0.92,547 0.584,548 0.41,549 0.319,550 0.235,551 7589,552 25021,553 1.983,554 38.1,555 3,556 8,557 1,558 2,559 2,564 1.69,565 1.803,566 3.346,567 0.365,568 1,569 1,573 75.481,574 1.797,575 4.08,576 4.794,577 5.071,578 5.071,579 5.071,580 2.705,581 4.287,582 4.677,583 3.498,584 1136.81,585 8.098,586 14187.9,587 1,588 1,590 1,591 226.477,592 1.717,593 4.592,594 0.25,595 0.006,596 0.108,597 0.056,598 0.048,599 0.028,600 0.021,601 0.016,602 0.013,603 0.009,604 0.556,605 0.33,606 1,607 0.85,608 127.063,609 0.157,610 -0.004,611 0.211,612 -0.077,613 -0.139,614 0.017,615 0.208,616 0.002,617 0.201,618 0.162,619 0.184,620 0.172,621 -0.069,622 -0.151,623 -0.191,624 -0.185,625 0.038,626 -0.176,627 -0.231,628 -0.2,629 -0.231,630 -0.214,631 -0.197,632 -0.189,633 -0.097,634 0.076,635 -0.076,636 0.064,637 -0.079,638 0.039,639 -0.246,640 -0.155,641 -0.186,642 -0.168,643 -0.179,644 -0.239,645 0.128,646 0.279,647 0.135,648 0.248,649 0.044,650 0.228,651 0.053,652 0.073,653 0.189,654 0.144,655 0.024,656 0.215,657 4.752,658 5.721,659 0.577,660 20.272,661 1.018,662 1.129,663 1.288,664 1.66,665 0.7,666 3.367,667 3.738,668 4.007,669 4.205,670 4.382,671 4.357,672 4.394,673 4.443,674 4.382,675 4.382,676 6.215,677 0.676,678 368.46,679 3.367,680 4.934,681 5.796,682 6.691,683 7.573,684 8.469,685 9.357,686 10.253,687 11.143,688 12.039,689 14.3,692 1,693 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,722 1,731 42,733 20,734 1,735 28,737 44,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 3,769 1,771 2,773 1,774 1,777 1,778 1,781 16,782 7,783 2,784 9,785 1,790 6,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 26,849 1,852 1,859 1,861 1,866 1,868 1,870 4.8,873 2,877 14.417,878 8.25,879 5.667,880 2.204,881 3.803,882 1.537,883 0.994,884 4.688,885 10.892,886 3.738,887 4.404,888 5.016,889 5.587,890 6.099,891 6.418,892 6.797,893 7.088,894 7.239,895 7.511,896 0.857,897 43,898 9.808,900 4.456,901 8.093,902 17.629,904 14.33,905 2.593,906 67.417,909 1,910 164.795,911 130.163,912 99.843,914 44.313,916 5.807,917 124.355,918 209.108,919 99.843,920 17.222,922 95.133,923 110.167,924 73.194,925 13.915,926 129.482,928 164.795,929 224.198,930 44.313,931 5.807,933 164.795,934 44.313,937 68.155,938 130.332,939 31.518,941 164.795,942 144.156,943 130.163,945 5.807,946 164.795,947 16.008,948 94.305,949 16.602,950 141.596,951 164.795,952 144.156,953 130.163,955 0.598,956 0.36,957 0.178,958 0.097,959 20,960 10,961 0.091,962 4,963 1,964 1.133,965 3.657,966 217.194,967 0.133,968 15,969 120.211,973 1,974 17.937,975 6.796,976 3.438,977 0.652,978 142.992,979 11.196,980 4.15,984 2.107,986 32.897,987 439.114,988 41,991 -3.836,993 25.443,995 1.392,996 4.034,999 42.76,1000 47.405,1001 0.333,1002 0.757,1003 0.889,1004 0.94,1005 0.94,1006 0.94,1007 4.997,1008 1.266,1009 5.844,1010 4.397,1011 4.419,1012 5.091,1013 2.228,1014 6.737,1015 4.341,1016 6.28,1017 1.084,1018 7.475,1019 3.453,1020 4.29,1021 5.231,1023 8.044,1024 4.141,1025 7.652,1026 0.829,1027 9.223,1028 2.886,1029 6.146,1030 7.492,1031 3.563,1032 11.121,1033 5.965,1034 9.067,1035 0.481,1036 11.045,1037 1.874,1038 6.825,1039 8.453,1041 13.279,1042 6.546,1043 10.519,1044 0.228,1045 12.917,1046 0.892,1047 8.237,1048 10.241,1049 4.962,1050 15.999,1051 7.915,1052 11.997,1053 0.085,1054 14.826,1055 0.435,1056 9.25,1057 11.543,1059 18.455,1060 8.823,1061 13.497,1062 -0.586,1063 16.763,1064 0.185,1065 10.528,1066 13.172,1067 6.378,1068 21.089,1069 10.041,1070 3.533,1071 -0.751,1072 18.721,1073 -1.265,1074 11.676,1075 14.617,1077 23.646,1078 11.089,1079 3.091,1080 13.726,1081 20.697,1082 -2.09,1083 12.919,1084 16.191,1085 7.797,1086 26.262,1087 12.258,1088 2.58,1089 10.36,1090 22.685,1091 4.799,1092 14.123,1093 17.696,1095 28.855,1096 13.366,1097 2.356,1098 7.797,1099 24.684,1100 4.519,1101 15.361,1102 19.252,1103 9.217,1104 31.469,1105 14.522,1106 2.059,1107 6.731,1108 26.691,1109 3.58,1110 16.588,1111 20.782,1113 34.076,1114 15.657,1115 1.961,1116 5.933,1117 28.704,1118 3.274,1119 17.83,1120 22.334,1121 10.638,1122 36.69,1123 16.812,1124 1.613,1125 5.616,1126 30.723,1127 2.796,1128 19.069,1129 23.876,1131 39.304,1132 17.961,1133 7469,1134 13725,1135 17.8,1136 29.398,1137 44.148,1138 46.433,1139 44.882,1140 42.335,1141 42.331,1142 59.565,1143 4.069,1144 128.568,1145 40.753,1146 5.757,1147 6.741,1148 7.247,1149 5.517,1150 5.533,1151 7.799,1152 4.069,1153 21.868,1154 5.251,1155 15.616,1156 1.577,1157 1.658,1158 1.603,1159 1.512,1160 1.512,1161 2.127,1162 0.145,1163 4.592,1164 1.455,1165 4.138,1166 4.175,1167 4.741,1168 4.08,1169 7.715,1170 4.023,1171 4.065,1172 4.058,1173 4.088,1174 3.969,1175 6.999,1176 3.966,1177 3.7,1178 3.725,1179 3.746,1180 3.59,1181 6.82,1182 3.536,1183 3.496,1184 3.528,1185 3.475,1186 3.393,1187 5.106,1188 3.393,1189 3.244,1190 3.333,1191 3.193,1192 3.057,1193 5.067,1194 3.048,1195 3.202,1196 3.254,1197 3.058,1198 2.969,1199 4.592,1200 2.989,1201 3.06,1202 3.141,1203 2.918,1204 2.861,1205 4.462,1206 2.849,1207 2.829,1208 2.922,1209 2.69,1210 2.608,1211 4.219,1212 2.602,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.958,1219 0.171,1220 4.741,1221 0.073,1222 7.697,1223 0.49,1224 4.46,1225 0.116,1226 3.533,1227 4.799,1228 2.035,1229 13.726,1230 3.251,1231 1.98,1232 1.985,1233 2.014,1234 2.067,1235 1.225,1236 2.086,1237 1.92,1238 1.889,1239 1.991,1240 2.044,1241 1.107,1242 2.037,1243 1.588,1244 1.566,1245 1.685,1246 1.802,1247 0.787,1248 1.803,1249 1.434,1250 1.421,1251 1.562,1252 1.599,1253 0.631,1254 1.605,1255 1.237,1256 1.155,1257 1.558,1258 1.484,1259 0.593,1260 1.513,1261 1.148,1262 1.087,1263 1.211,1264 1.386,1265 0.416,1266 1.369,1267 1.07,1268 1.002,1269 1.159,1270 1.308,1271 0.133,1272 1.337,1273 0.784,1274 0.712,1275 1.104,1276 1.111,1277 0.072,1278 1.141,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.585,1286 6.823,1287 10.268,1289 3.041,1293 5.706,1300 0.881,1303 9.014,1304 2.054,1305 28.379,1306 75.481,1307 171.358,1308 201.358,1309 212.968,1310 212.968,1311 212.968,1312 57.554,1313 7.088,1314 116.85,1315 125.23,1316 17,1317 12.565,1318 4.392,1319 3.807,1320 44.414,1321 99,1322 93,1323 0.224,1324 182.275,1325 308.57,1326 436.512,1327 11029,1329 18.897,1330 0.727,1331 0.576,1332 19.147,1333 14.973,1334 12.324,1335 0.44,1336 0.323,1337 7.593,1338 11.018,1339 7.219,1340 6.056,1341 13.112,1342 9.033,1343 11.65,1344 0.284,1345 0.185,1346 12.993,1347 7.584,1348 9.902,1349 0.183,1350 0.105,1351 11.288,1352 5.663,1353 7.437,1354 0.113,1355 0.055,1356 8.508,1357 3.627,1358 5.975,1359 0.076,1360 0.03,1361 6.808,1362 2.36,1363 0.35,1364 85.592,1365 0.237,1366 24.997,1367 0.614,1368 138,1369 453.869,1370 192.41,1371 468.042,1372 632.82,1373 428,1374 164,1375 445.099,1376 227,1377 490.275,1378 706.77,1379 456,1380 6}
{0 CHEMBL1928569,1 1.862,2 11.036,3 2.83,4 8.01,5 103.755,6 9.243,7 0.533,8 3.89,9 3.974,10 3.774,11 3.469,12 5.176,13 3.459,14 4.372,15 4.499,16 4.097,17 3.83,18 5.869,19 3.82,20 4.564,21 4.687,22 4.18,23 3.989,24 6.007,25 3.954,26 4.728,27 4.883,28 4.089,29 3.948,30 6.15,31 3.905,32 4.653,33 4.843,34 4.03,35 3.796,36 5.993,37 3.771,38 4.525,39 4.676,40 4.01,41 3.723,42 6.238,43 3.702,44 4.576,45 4.791,46 3.771,47 3.648,48 6.005,49 3.594,50 4.313,51 4.499,52 3.623,53 3.581,54 5.6,55 3.516,56 0.189,57 0.693,58 7.9,59 3.943,60 28.126,61 3.715,62 0.528,63 1.052,64 12.962,65 5.809,66 79.294,67 6.165,68 0.465,69 1.262,70 18.617,71 8.071,72 54.934,73 7.652,74 0.767,75 1.348,76 26.111,77 9.462,78 125.572,79 8.646,80 0.804,81 1.21,82 25.334,83 8.285,84 139.179,85 8.26,86 0.835,87 1.112,88 19.037,89 6.826,90 139.387,91 7.246,92 0.909,93 1.067,94 23.624,95 7.339,96 124.153,97 8.104,98 0.497,99 0.84,100 17.12,101 6.605,102 81.079,103 7.13,104 54,105 44,106 0.316,107 0.705,108 0.831,109 0.877,110 0.877,111 0.877,112 3.375,113 0.942,114 -2.76,115 -2.77,116 -2.69,119 41.9,120 1,124 1,142 5,143 4,144 1,145 1,151 1,152 1,155 1,158 2,166 2,167 1,170 1,172 7,173 1,174 3,175 7,178 1,180 1,183 7,184 2,186 2,187 14,192 2,195 5,196 1,198 2,199 14,204 1,207 2,208 1,211 3,212 12,213 3,217 1,221 1,223 4,224 4,225 1,227 3,229 1,232 2,236 6,237 3,240 1,245 3,249 1,250 6,258 3,259 1,263 9,268 1,271 5,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.699,282 11.564,283 10.272,284 18.481,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.568,291 6.391,292 4.709,293 15.129,294 3.564,295 1.282,296 0.538,297 0.268,298 0.268,299 0.268,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 47.965,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 62.5,331 309,332 4.959,333 4.741,334 7.698,335 4.463,336 3.535,337 4.801,338 2.035,339 13.729,340 3.257,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 1.437,348 10.36,349 2.991,350 4.144,351 3.573,352 6.051,353 3.755,354 2.756,355 3.718,357 8.469,358 2.744,359 3.893,360 3.097,361 5.731,362 3.359,363 2.368,364 3.274,366 7.146,367 2.344,368 3.687,369 2.65,370 5.292,371 3.307,372 2.312,373 3.034,375 6.727,376 2.294,377 3.465,378 2.384,379 5.096,380 2.934,381 1.973,382 2.787,384 5.921,385 1.891,386 3.024,387 2.207,388 4.694,389 2.571,390 1.615,391 2.117,393 4.399,394 1.534,395 3.009,396 1.895,397 4.156,398 2.245,399 1.266,400 1.832,402 3.456,403 1.229,404 2.755,405 1.876,406 3.912,407 2.232,408 1.235,409 1.751,411 3.009,412 1.219,413 2.693,414 1.372,415 3.768,416 2.069,417 1.083,418 1.646,420 2.793,421 1.066,422 2.611,423 1.173,424 3.32,425 1.791,426 0.829,427 1.249,428 1.874,429 0.796,430 2.197,431 0.929,432 3.111,433 1.417,434 0.481,435 0.834,436 0.89,437 0.449,438 1.854,439 0.633,440 2.802,441 1.167,442 0.225,443 0.359,445 0.43,446 0.211,447 1.244,448 0.506,449 2.744,450 0.888,451 -0.101,452 -0.126,454 -0.235,455 -0.099,456 1,457 0.334,458 2.35,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 13.167,466 0.47,467 0.938,468 0.033,469 40.5,470 1.446,471 23,472 0.821,473 17.5,474 0.625,475 19.849,476 0.709,477 29.433,478 0.684,479 34.069,480 1.217,481 8.081,482 0.289,483 5.153,484 0.184,485 0.208,486 0.063,487 0.327,493 0.572,494 1.191,495 0.762,496 1.203,497 0.672,498 0.886,499 0.582,500 1.038,501 0.689,502 0.808,503 0.488,504 0.73,505 0.896,506 1.247,507 1.26,508 1.301,509 0.743,510 1.094,511 1.4,512 1.164,513 1.453,514 1.28,515 1.37,516 1.187,517 1.326,518 0.917,519 1.019,520 0.925,521 1.374,522 0.892,523 0.762,524 1.248,525 1.079,526 1.233,527 0.731,528 1.169,529 1.163,530 0.646,531 1.028,532 0.713,533 1.178,534 0.881,535 1.098,536 0.786,537 0.965,538 0.865,539 1.053,540 0.914,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 34292,553 1.964,554 34.9,555 3,556 8,557 1,558 2,559 1,564 1.711,565 1.778,566 3.432,567 -0.217,568 1,569 1,573 80.058,574 1.862,575 4.144,576 4.889,577 5.159,578 5.159,579 5.159,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 233.329,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 1,607 0.944,608 140.493,609 0.083,610 -0.042,611 0.189,612 -0.09,613 -0.115,614 0.001,615 0.22,616 0.051,617 0.186,618 0.171,619 0.211,620 0.167,621 -0.084,622 -0.151,623 -0.193,624 -0.182,625 0.027,626 -0.167,627 -0.296,628 -0.166,629 -0.322,630 -0.197,631 -0.232,632 -0.227,633 -0.193,634 0.035,635 0.06,636 0.07,637 -0.239,638 0.102,639 0.323,640 -0.238,641 -0.049,642 -0.236,643 0.331,644 -0.239,645 -0.009,646 0.28,647 0.005,648 0.214,649 -0.074,650 0.129,651 -0.131,652 0.101,653 0.042,654 0.153,655 -0.111,656 0.149,657 4.969,658 5.807,659 0.536,660 23.745,661 1.031,662 1.124,663 1.528,664 2.334,665 0.705,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.693,678 397.45,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 11.6,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,720 1,731 43,733 21,734 1,735 30,737 45,738 18,739 13,740 3,741 3,742 2,746 3,747 4,752 1,760 1,761 15,762 2,766 4,769 1,771 3,773 1,774 1,775 1,778 1,781 15,782 8,783 1,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,838 1,840 2,842 1,844 2,848 28,852 1,853 1,859 1,861 1,866 1,868 1,870 9.3,872 1,873 3,877 15.75,878 8.533,879 6.111,880 2.274,881 3.925,882 1.541,883 0.959,884 5.195,885 11.172,886 3.807,887 4.463,888 5.074,889 5.636,890 6.158,891 6.547,892 6.877,893 7.16,894 7.27,895 7.549,896 1,897 47,898 10.635,900 4.934,901 8.289,902 18.689,904 15.152,905 2.789,906 78.083,909 1,910 164.795,911 131.501,912 66.945,914 112.141,916 5.807,917 125.694,918 276.937,919 66.945,920 17.222,922 62.236,923 178.905,924 73.623,925 13.915,926 129.482,928 164.795,929 192.639,930 112.141,931 5.807,933 164.795,934 112.141,937 68.155,938 98.774,939 31.518,941 164.795,942 179.087,943 131.501,945 5.807,946 164.795,947 17.347,948 94.305,949 16.602,950 176.527,951 164.795,952 179.087,953 131.501,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.111,962 5,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 132.606,973 1,974 19.564,975 7.435,976 3.776,977 0.595,978 177.923,979 10.212,980 4.12,984 1.091,986 42.683,987 475.383,988 44,991 -4.052,993 36.762,995 1.317,996 3.973,997 -1.22,999 44.313,1000 48.325,1001 0.343,1002 0.764,1003 0.901,1004 0.951,1005 0.951,1006 0.951,1007 5.069,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.15,1013 2.596,1014 6.81,1015 4.421,1016 6.351,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.293,1023 8.107,1024 4.237,1025 7.721,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.539,1031 3.78,1032 11.178,1033 6.055,1034 9.135,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.501,1041 13.319,1042 6.647,1043 10.583,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.278,1049 5.078,1050 16.031,1051 8.011,1052 12.059,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.578,1059 18.475,1060 8.921,1061 13.555,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.201,1067 6.437,1068 21.105,1069 10.134,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.643,1077 23.657,1078 11.178,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.212,1085 7.827,1086 26.27,1087 12.341,1088 2.756,1089 10.36,1090 22.722,1091 4.801,1092 14.159,1093 17.715,1095 28.861,1096 13.444,1097 2.368,1098 8.469,1099 24.714,1100 4.519,1101 15.392,1102 19.268,1103 9.233,1104 31.474,1105 14.595,1106 2.312,1107 7.146,1108 26.716,1109 3.718,1110 16.616,1111 20.797,1113 34.08,1114 15.726,1115 1.973,1116 6.727,1117 28.725,1118 3.274,1119 17.854,1120 22.347,1121 10.646,1122 36.695,1123 16.877,1124 1.615,1125 5.921,1126 30.739,1127 3.034,1128 19.091,1129 23.888,1131 39.308,1132 18.022,1133 9087,1134 17709,1135 18.898,1136 30.301,1137 47.571,1138 50.111,1139 48.352,1140 45.522,1141 45.538,1142 63.843,1143 6.943,1144 138.406,1145 44.047,1146 5.763,1147 6.741,1148 7.247,1149 5.524,1150 5.535,1151 7.801,1152 4.069,1153 21.878,1154 5.257,1155 17.851,1156 1.586,1157 1.67,1158 1.612,1159 1.517,1160 1.518,1161 2.128,1162 0.231,1163 4.614,1164 1.468,1165 4.139,1166 4.175,1167 4.742,1168 4.086,1169 7.715,1170 4.028,1171 4.068,1172 4.06,1173 4.088,1174 3.97,1175 7.475,1176 3.972,1177 3.721,1178 3.731,1179 3.786,1180 3.614,1181 6.999,1182 3.559,1183 3.5,1184 3.529,1185 3.475,1186 3.394,1187 6.82,1188 3.397,1189 3.349,1190 3.377,1191 3.272,1192 3.146,1193 6.351,1194 3.16,1195 3.207,1196 3.254,1197 3.185,1198 2.969,1199 5.071,1200 2.991,1201 3.061,1202 3.142,1203 2.918,1204 2.861,1205 4.651,1206 2.849,1207 2.957,1208 3.008,1209 2.757,1210 2.667,1211 4.578,1212 2.682,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.959,1219 0.16,1220 4.741,1221 0.068,1222 7.698,1223 0.458,1224 4.463,1225 0.109,1226 3.535,1227 4.801,1228 2.035,1229 13.729,1230 3.257,1231 1.987,1232 1.995,1233 2.015,1234 2.068,1235 1.237,1236 2.086,1237 1.921,1238 1.889,1239 1.991,1240 2.045,1241 1.107,1242 2.037,1243 1.594,1244 1.581,1245 1.685,1246 1.805,1247 0.791,1248 1.804,1249 1.44,1250 1.428,1251 1.562,1252 1.603,1253 0.631,1254 1.605,1255 1.281,1256 1.237,1257 1.555,1258 1.523,1259 0.618,1260 1.521,1261 1.148,1262 1.087,1263 1.211,1264 1.386,1265 0.423,1266 1.371,1267 1.071,1268 1.002,1269 1.144,1270 1.313,1271 0.133,1272 1.337,1273 0.864,1274 0.816,1275 1.066,1276 1.205,1277 0.095,1278 1.185,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 2.829,1294 9.106,1300 0.763,1303 9.021,1304 2.027,1305 29.787,1306 80.058,1307 178.21,1308 210.21,1309 221.82,1310 221.82,1311 221.82,1312 74.247,1313 7.248,1314 128.13,1315 136.51,1316 17,1317 12.643,1318 4.459,1319 3.907,1320 49.743,1321 111,1322 109,1323 0.22,1324 190.138,1325 329.81,1326 455.698,1327 13573,1329 20.474,1330 0.731,1331 0.563,1332 20.724,1333 15.752,1334 13.234,1335 0.441,1336 0.314,1337 7.963,1338 11.824,1339 7.6,1340 6.349,1341 14.023,1342 9.422,1343 12.549,1344 0.285,1345 0.178,1346 13.892,1347 7.845,1348 10.623,1349 0.183,1350 0.101,1351 12.009,1352 5.886,1353 7.865,1354 0.112,1355 0.053,1356 8.911,1357 3.734,1358 6.123,1359 0.072,1360 0.029,1361 6.96,1362 2.467,1363 0.345,1364 91.922,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 540.442,1370 205.811,1371 543.649,1372 722.62,1373 496,1374 176,1375 498.92,1376 241.49,1377 541.884,1378 783.26,1379 504,1380 6}
{0 CHEMBL1928570,1 1.832,2 11.621,3 3.081,4 9.494,5 108.524,6 8.945,7 0.516,8 3.948,9 4.035,10 3.808,11 3.513,12 5.192,13 3.5,14 4.45,15 4.59,16 4.118,17 3.863,18 5.85,19 3.853,20 4.595,21 4.716,22 4.216,23 4.026,24 6.016,25 3.992,26 4.785,27 4.939,28 4.129,29 4.003,30 6.183,31 3.96,32 4.707,33 4.892,34 4.073,35 3.882,36 6.015,37 3.847,38 4.639,39 4.81,40 4.08,41 3.838,42 6.189,43 3.792,44 4.663,45 4.874,46 3.888,47 3.771,48 6.026,49 3.706,50 4.484,51 4.661,52 3.711,53 3.701,54 5.768,55 3.639,56 0.167,57 0.73,58 8.925,59 4.277,60 18.195,61 4.324,62 0.603,63 1.101,64 16.192,65 6.369,66 65.591,67 6.947,68 0.415,69 1.303,70 19.826,71 8.388,72 37.989,73 8.344,74 0.792,75 1.407,76 28.426,77 9.903,78 115.393,79 9.32,80 0.756,81 1.285,82 26.125,83 8.728,84 110.55,85 9.079,86 0.86,87 1.23,88 22.391,89 7.917,90 111.724,91 9.162,92 0.872,93 1.182,94 28.798,95 8.702,96 98.397,97 9.72,98 0.625,99 0.976,100 19.975,101 7.371,102 86.644,103 7.659,104 55,105 45,106 0.308,107 0.679,108 0.826,109 0.868,110 0.868,111 0.868,112 3.408,113 0.949,114 -2.99,115 -2.99,116 -2.89,119 41.3,120 1,124 2,142 5,143 4,144 1,145 1,151 1,152 1,155 1,158 2,166 2,172 7,174 4,175 8,183 7,186 2,187 16,195 5,198 2,199 15,207 2,211 3,212 13,223 7,224 5,232 2,236 7,237 3,245 3,249 1,250 6,258 3,263 10,271 5,275 1340,276 19.082,277 19.082,278 19.082,279 19.082,280 19.082,281 16.622,282 12.551,283 10.774,284 19.503,285 15.067,286 15.067,287 15.067,288 15.067,289 15.067,290 10.982,291 6.839,292 4.864,293 15.654,294 3.691,295 1.481,296 0.606,297 0.354,298 0.354,299 0.354,300 4.081,304 1,305 1,306 707,307 4.416,310 70.63,311 190.13,314 130.56,318 1.66,319 45.955,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 64.5,331 337,332 4.959,333 4.741,334 7.698,335 4.463,336 3.535,337 4.801,338 2.035,339 13.73,340 3.257,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 1.674,348 10.36,349 2.991,350 4.164,351 3.646,352 6.1,353 3.783,354 2.789,355 3.729,357 8.708,358 2.762,359 3.894,360 3.097,361 5.786,362 3.366,363 2.378,364 3.275,366 7.287,367 2.348,368 3.711,369 2.652,370 5.292,371 3.322,372 2.331,373 3.062,375 6.728,376 2.306,377 3.465,378 2.385,379 5.096,380 2.934,381 1.973,382 2.787,384 5.921,385 1.891,386 3.024,387 2.208,388 4.695,389 2.572,390 1.616,391 2.117,393 4.4,394 1.534,395 3.009,396 1.903,397 4.16,398 2.377,399 1.414,400 1.884,402 3.526,403 1.343,404 2.836,405 1.881,406 4.133,407 2.234,408 1.266,409 1.832,411 3.439,412 1.223,413 2.693,414 1.461,415 3.873,416 2.069,417 1.083,418 1.646,420 2.869,421 1.066,422 2.611,423 1.372,424 3.32,425 1.792,426 0.829,427 1.249,428 1.874,429 0.796,430 2.197,431 1.173,432 3.111,433 1.417,434 0.481,435 0.834,436 0.891,437 0.449,438 1.854,439 0.929,440 2.806,441 1.181,442 0.263,443 0.362,445 0.436,446 0.237,447 1.483,448 0.632,449 2.752,450 1.156,451 0.22,452 0.291,454 0.361,455 0.206,456 1.239,457 0.409,458 2.595,459 0.842,460 -0.162,461 -0.209,463 -0.342,464 -0.159,465 13.667,466 0.471,467 0.9,468 0.031,469 41.25,470 1.422,471 23,472 0.793,473 18.25,474 0.629,475 21.238,476 0.732,477 30.733,478 0.668,479 35.241,480 1.215,481 8.308,482 0.286,483 5.464,484 0.188,485 0.212,486 0.061,487 0.315,493 0.534,494 1.271,495 0.749,496 1.278,497 0.595,498 0.947,499 0.775,500 0.959,501 0.712,502 0.726,503 0.564,504 0.663,505 0.89,506 1.283,507 1.224,508 1.319,509 0.762,510 1.08,511 1.536,512 1.137,513 1.452,514 1.232,515 1.59,516 1.142,517 1.31,518 0.973,519 1.036,520 0.983,521 1.427,522 0.958,523 0.698,524 1.184,525 0.963,526 1.139,527 0.752,528 1.11,529 1.086,530 0.782,531 1.21,532 0.959,533 1.054,534 0.923,535 1.453,536 0.824,537 1.121,538 0.872,539 1.414,540 0.998,541 7.5,542 0.153,543 5.111,544 2.542,545 1.844,546 1.406,547 0.869,548 0.472,549 0.319,550 0.255,551 10114,552 35981,553 1.965,554 37,555 3,556 11,557 1,558 2,564 1.72,565 1.785,566 3.495,567 -0.649,568 1,569 1,573 84.277,574 1.832,575 4.042,576 4.918,577 5.17,578 5.17,579 5.17,580 2.918,581 4.582,582 4.832,583 3.645,584 1479.68,585 8.416,586 20038.8,588 1,590 1,591 254.084,592 1.713,593 4.748,594 0.242,595 0.006,596 0.114,597 0.052,598 0.043,599 0.036,600 0.023,601 0.014,602 0.011,603 0.009,604 0.55,605 0.33,606 1,607 1.096,608 147.403,609 0.123,610 -0.109,611 0.209,612 -0.154,613 -0.086,614 -0.038,615 0.159,616 0.114,617 0.204,618 0.259,619 0.158,620 0.248,621 -0.062,622 -0.164,623 -0.157,624 -0.191,625 0.057,626 -0.153,627 -0.335,628 -0.131,629 -0.329,630 -0.156,631 -0.272,632 -0.204,633 -0.184,634 -0.001,635 0.001,636 0.003,637 -0.239,638 0.006,639 0.344,640 -0.189,641 0.063,642 -0.142,643 0.271,644 -0.15,645 0.039,646 0.178,647 -0.047,648 0.079,649 0.023,650 0.086,651 -0.299,652 0.082,653 -0.155,654 0.105,655 -0.239,656 -0.009,657 4.922,658 5.936,659 0.517,660 26.021,661 1.026,662 1.125,663 1.76,664 3.097,665 0.697,666 3.466,667 3.829,668 4.111,669 4.29,670 4.477,671 4.554,672 4.585,673 4.585,674 4.5,675 4.489,676 6.772,677 0.681,678 411.48,679 3.466,680 5.03,681 5.894,682 6.786,683 7.67,684 8.565,685 9.455,686 10.353,687 11.244,688 12.143,689 10.9,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,721 1,731 46,733 21,734 1,735 31,737 48,738 19,739 13,740 3,741 3,742 2,746 3,747 4,752 1,760 1,761 15,762 3,766 4,769 1,771 3,773 1,774 1,775 1,778 1,781 17,782 8,784 10,785 1,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 29,852 1,856 1,859 1,861 1,866 1,868 1,870 8.7,873 3,875 1,877 16.25,878 9.5,879 6.444,880 2.433,881 3.931,882 1.537,883 0.966,884 5.696,885 11.251,886 3.829,887 4.474,888 5.093,889 5.647,890 6.167,891 6.559,892 6.906,893 7.179,894 7.29,895 7.557,896 0.875,897 49,898 10.986,900 4.991,901 8.175,902 19.523,904 15.628,905 2.675,906 77.583,909 1,910 200.109,911 148.666,912 66.945,914 80.458,916 5.807,917 142.858,918 280.567,919 66.945,920 28.105,922 62.236,923 142.504,924 84.623,925 13.915,926 164.795,928 200.109,929 209.804,930 80.458,931 5.807,933 200.109,934 80.458,937 68.155,938 115.938,939 31.518,941 200.109,942 147.403,943 148.666,945 5.807,946 200.109,947 23.629,948 105.188,949 16.602,950 144.843,951 200.109,952 147.403,953 148.666,955 0.593,956 0.364,957 0.175,958 0.092,959 21,960 11,961 0.125,962 6,963 1,964 1.133,965 3.875,966 251.861,967 0.133,968 15,969 136.881,973 1,974 20.537,975 8.043,976 3.998,977 0.613,978 146.239,979 10.69,980 4.144,984 1.537,987 496.178,988 45,991 -4.005,993 37.611,995 1.348,996 4.024,997 -0.632,999 47.196,1000 51.74,1001 0.332,1002 0.732,1003 0.89,1004 0.936,1005 0.936,1006 0.936,1007 5.088,1008 1.414,1009 5.938,1010 4.4,1011 4.511,1012 5.162,1013 2.701,1014 6.83,1015 4.436,1016 6.363,1017 1.266,1018 7.57,1019 3.526,1020 4.369,1021 5.293,1023 8.122,1024 4.237,1025 7.731,1026 1.083,1027 9.317,1028 3.439,1029 6.236,1030 7.546,1031 3.932,1032 11.195,1033 6.067,1034 9.144,1035 0.829,1036 11.136,1037 2.869,1038 6.909,1039 8.505,1041 13.33,1042 6.655,1043 10.592,1044 0.481,1045 13.003,1046 1.874,1047 8.318,1048 10.283,1049 5.231,1050 16.041,1051 8.021,1052 12.067,1053 0.263,1054 14.905,1055 0.891,1056 9.323,1057 11.582,1059 18.483,1060 8.93,1061 13.563,1062 0.22,1063 16.833,1064 0.436,1065 10.595,1066 13.204,1067 6.568,1068 21.11,1069 10.143,1070 3.535,1071 -0.162,1072 18.783,1073 0.361,1074 11.734,1075 14.645,1077 23.661,1078 11.187,1079 3.091,1080 13.73,1081 20.75,1082 -0.342,1083 12.971,1084 16.214,1085 7.93,1086 26.273,1087 12.35,1088 2.789,1089 10.36,1090 22.73,1091 4.801,1092 14.167,1093 17.716,1095 28.863,1096 13.453,1097 2.378,1098 8.708,1099 24.722,1100 4.519,1101 15.4,1102 19.27,1103 9.309,1104 31.475,1105 14.604,1106 2.331,1107 7.287,1108 26.723,1109 3.729,1110 16.623,1111 20.798,1113 34.081,1114 15.734,1115 1.973,1116 6.728,1117 28.73,1118 3.275,1119 17.86,1120 22.348,1121 10.701,1122 36.696,1123 16.885,1124 1.616,1125 5.921,1126 30.744,1127 3.062,1128 19.096,1129 23.889,1131 39.309,1132 18.029,1133 10014,1134 19050,1135 19.592,1136 32.063,1137 48.281,1138 51.811,1139 49.945,1140 46.447,1141 46.539,1142 64.777,1143 7.418,1144 141.062,1145 44.814,1146 5.768,1147 6.741,1148 7.247,1149 5.527,1150 5.535,1151 7.801,1152 4.069,1153 21.879,1154 5.257,1155 18.309,1156 1.557,1157 1.671,1158 1.611,1159 1.498,1160 1.501,1161 2.09,1162 0.239,1163 4.55,1164 1.446,1165 4.14,1166 4.175,1167 4.742,1168 4.086,1169 7.715,1170 4.028,1171 4.069,1172 4.061,1173 4.088,1174 3.97,1175 7.433,1176 3.972,1177 3.727,1178 3.734,1179 3.793,1180 3.616,1181 6.999,1182 3.562,1183 3.503,1184 3.532,1185 3.476,1186 3.394,1187 6.82,1188 3.398,1189 3.417,1190 3.449,1191 3.329,1192 3.18,1193 5.071,1194 3.201,1195 3.208,1196 3.254,1197 3.188,1198 2.969,1199 4.68,1200 2.991,1201 3.131,1202 3.22,1203 2.918,1204 2.903,1205 4.583,1206 2.892,1207 3.06,1208 3.141,1209 2.901,1210 2.86,1211 4.459,1212 2.848,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.959,1219 0.155,1220 4.741,1221 0.066,1222 7.698,1223 0.443,1224 4.463,1225 0.105,1226 3.535,1227 4.801,1228 2.035,1229 13.73,1230 3.257,1231 1.987,1232 1.995,1233 2.016,1234 2.068,1235 1.238,1236 2.086,1237 1.921,1238 1.889,1239 1.991,1240 2.046,1241 1.107,1242 2.037,1243 1.595,1244 1.584,1245 1.686,1246 1.809,1247 0.792,1248 1.807,1249 1.444,1250 1.431,1251 1.617,1252 1.639,1253 0.636,1254 1.627,1255 1.324,1256 1.284,1257 1.562,1258 1.583,1259 0.631,1260 1.591,1261 1.148,1262 1.087,1263 1.519,1264 1.396,1265 0.564,1266 1.443,1267 1.141,1268 1.053,1269 1.211,1270 1.385,1271 0.422,1272 1.363,1273 1.069,1274 1.002,1275 1.137,1276 1.303,1277 0.133,1278 1.337,1279 4.143,1281 5.493,1282 2.398,1283 7.041,1284 4.727,1285 8.676,1286 6.823,1287 10.356,1289 4.142,1297 4.651,1300 0.814,1303 9.048,1304 2.042,1305 31.314,1306 84.277,1307 185.945,1308 226.21,1309 237.819,1310 237.819,1311 237.819,1312 74.301,1313 7.32,1314 117.13,1315 125.51,1316 17,1317 12.667,1318 4.459,1319 3.907,1320 52.51,1321 118,1322 117,1323 0.217,1324 199.731,1325 347.11,1326 479.103,1327 14950,1329 21.181,1330 0.73,1331 0.576,1332 21.431,1333 16.713,1334 13.772,1335 0.444,1336 0.316,1337 8.325,1338 12.284,1339 7.908,1340 6.639,1341 14.561,1342 9.81,1343 12.691,1344 0.282,1345 0.178,1346 14.033,1347 8.031,1348 11.129,1349 0.185,1350 0.101,1351 12.515,1352 6.06,1353 8.109,1354 0.113,1355 0.053,1356 9.156,1357 3.846,1358 6.266,1359 0.072,1360 0.029,1361 7.093,1362 2.524,1363 0.342,1364 95.688,1365 0.226,1366 27.468,1367 0.593,1368 152,1369 556.028,1370 210.586,1371 553.729,1372 739.38,1373 508,1374 181,1375 510.435,1376 247.819,1377 554.58,1378 801.5,1379 514,1380 6.004}
{0 CHEMBL1928571,1 1.8,2 10.926,3 3.105,4 9.639,5 102.734,6 9.23,7 0.552,8 3.833,9 3.924,10 3.737,11 3.455,12 5.11,13 3.432,14 4.317,15 4.456,16 4.04,17 3.81,18 5.71,19 3.788,20 4.509,21 4.641,22 4.13,23 3.968,24 5.925,25 3.919,26 4.657,27 4.825,28 4.03,29 3.918,30 6.059,31 3.859,32 4.572,33 4.771,34 3.921,35 3.752,36 5.953,37 3.716,38 4.41,39 4.587,40 3.862,41 3.677,42 5.963,43 3.631,44 4.445,45 4.683,46 3.674,47 3.601,48 5.816,49 3.522,50 4.163,51 4.351,52 3.566,53 3.533,54 5.436,55 3.459,56 0.133,57 0.678,58 7.377,59 3.609,60 18.352,61 3.53,62 0.382,63 1.029,64 12.353,65 5.442,66 52.424,67 5.823,68 0.344,69 1.239,70 17.779,71 7.547,72 39.984,73 7.237,74 0.557,75 1.332,76 24.494,77 8.883,78 98.802,79 8.16,80 0.616,81 1.183,82 22.047,83 7.464,84 109.904,85 7.502,86 0.416,87 1.081,88 15.864,89 6.037,90 81.963,91 6.544,92 0.593,93 1.038,94 20.477,95 6.698,96 83.361,97 7.897,98 0.262,99 0.793,100 13.628,101 5.637,102 50.82,103 6.348,104 41,105 42,106 0.307,107 0.668,108 0.793,109 0.85,110 0.858,111 0.867,112 3.34,113 0.954,114 -2.68,115 -2.7,116 -2.63,119 43.9,120 1,124 1,142 5,143 4,144 1,145 1,151 1,152 1,155 1,158 2,166 2,172 7,174 3,175 7,183 7,186 2,187 14,195 5,198 2,199 14,207 2,211 3,212 12,223 4,224 4,232 2,236 6,237 3,245 3,249 1,250 6,258 3,263 9,271 5,275 1067,276 17.875,277 17.875,278 17.875,279 17.875,280 17.875,281 15.415,282 12.611,283 10.132,284 18.149,285 14.106,286 14.106,287 14.106,288 14.106,289 14.106,290 10.044,291 7.627,292 4.583,293 14.605,294 3.558,295 1.442,296 0.71,297 0.378,298 0.33,299 0.281,300 4.014,303 1,304 1,305 1,306 622,307 4.062,310 64.269,311 173.71,314 118.788,318 1.495,319 39.513,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59,331 295,332 4.959,333 4.742,334 7.698,335 4.461,336 3.534,337 4.8,338 2.035,339 13.727,340 3.253,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.081,351 4.055,352 5.941,353 3.608,354 2.614,355 3.651,357 7.921,358 2.599,359 3.893,360 3.097,361 5.293,362 3.349,363 2.357,364 3.274,366 6.733,367 2.336,368 3.651,369 2.691,370 5.209,371 3.132,372 2.145,373 2.882,375 6.272,376 2.118,377 3.464,378 2.405,379 5.094,380 2.931,381 1.968,382 2.781,384 5.913,385 1.889,386 3.024,387 2.27,388 4.69,389 2.571,390 1.614,391 2.115,393 4.397,394 1.533,395 3.011,396 2.159,397 4.156,398 2.234,399 1.266,400 1.832,402 3.454,403 1.223,404 2.936,405 1.886,406 3.883,407 2.069,408 1.084,409 1.646,411 2.889,412 1.066,413 2.693,414 1.373,415 3.32,416 1.792,417 0.829,418 1.249,420 1.874,421 0.796,422 2.611,423 1.173,424 3.112,425 1.53,426 0.575,427 1.07,428 0.946,429 0.547,430 2.197,431 0.93,432 2.869,433 1.415,434 0.479,435 0.834,436 0.872,437 0.447,438 1.854,439 0.638,440 2.789,441 1.166,442 0.224,443 0.358,445 0.427,446 0.21,447 1.295,448 0.516,449 2.722,450 0.782,451 -0.18,452 -0.26,454 -0.333,455 -0.172,456 1,457 0.017,458 2.35,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 12.9,466 0.478,467 0.81,468 0.03,469 41.25,470 1.528,471 24.5,472 0.907,473 16.75,474 0.62,475 18.06,476 0.669,477 27.3,478 0.666,479 32.518,480 1.204,481 8.007,482 0.297,483 4.855,484 0.18,485 0.191,486 0.065,487 0.295,493 0.422,494 1.173,495 0.752,496 1.216,497 0.562,498 0.887,499 0.687,500 0.998,501 0.712,502 0.79,503 0.522,504 0.714,505 0.963,506 1.212,507 1.299,508 1.298,509 0.733,510 1.086,511 1.567,512 1.137,513 1.482,514 1.29,515 1.48,516 1.176,517 1.627,518 0.89,519 1.034,520 0.843,521 1.499,522 0.874,523 0.992,524 1.228,525 1.047,526 1.2,527 0.829,528 1.179,529 0.93,530 0.658,531 0.951,532 0.749,533 1.022,534 0.873,535 0.913,536 0.832,537 0.928,538 0.939,539 1,540 0.939,541 7,542 0.123,543 4.444,544 2.417,545 1.804,546 1.149,547 0.625,548 0.41,549 0.319,550 0.235,551 8388,552 29576,553 1.984,554 34.1,555 3,556 8,557 1,558 2,564 1.701,565 1.81,566 3.412,567 -0.659,568 1,569 1,573 73.788,574 1.8,575 3.916,576 4.647,577 4.979,578 5.028,579 5.077,580 2.844,581 4.607,582 4.73,583 3.554,584 1247.5,585 8.208,586 16014.1,587 1,588 1,590 1,591 219.66,592 1.698,593 4.65,594 0.241,595 0.006,596 0.106,597 0.054,598 0.046,599 0.033,600 0.02,601 0.015,602 0.012,603 0.009,604 0.542,605 0.33,606 1,607 0.936,608 133.814,609 0.211,610 -0.066,611 0.22,612 -0.14,613 -0.059,614 -0.026,615 0.202,616 0.048,617 0.185,618 0.176,619 0.154,620 0.175,621 -0.053,622 -0.152,623 -0.198,624 -0.192,625 0.05,626 -0.173,627 -0.303,628 -0.151,629 -0.317,630 -0.197,631 -0.239,632 -0.216,633 -0.256,634 0.046,635 0.006,636 0.132,637 -0.219,638 0.107,639 0.047,640 -0.227,641 -0.067,642 -0.24,643 0.16,644 -0.242,645 0.148,646 0.285,647 0.094,648 0.211,649 0.006,650 0.174,651 -0.032,652 0.078,653 0.067,654 0.087,655 -0.075,656 0.11,657 4.833,658 5.784,659 0.556,660 22.354,661 1.021,662 1.122,663 1.455,664 2.116,665 0.723,666 3.401,667 3.761,668 4.043,669 4.234,670 4.419,671 4.443,672 4.454,673 4.489,674 4.419,675 4.419,676 6.412,677 0.704,678 378.45,679 3.401,680 4.963,681 5.826,682 6.718,683 7.601,684 8.496,685 9.385,686 10.281,687 11.172,688 12.069,689 14.6,692 1,697 1,698 3,699 1,703 1,704 7,705 1,709 5,711 16,713 2,731 41,733 21,734 1,735 29,737 43,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 2,761 14,762 2,766 3,769 1,771 2,773 1,774 1,777 1,778 1,781 14,782 7,784 9,785 1,790 6,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 27,852 1,859 1,861 2,866 2,868 2,870 4.9,873 2,877 14.917,878 8.367,879 6,880 2.233,881 4.001,882 1.558,883 0.981,884 4.862,885 11.172,886 3.807,887 4.44,888 5.074,889 5.636,890 6.158,891 6.547,892 6.877,893 7.16,894 7.27,895 7.549,896 1,897 45,898 10.181,900 4.629,901 8.164,902 18.169,904 14.691,905 2.664,906 71.917,909 1,910 164.795,911 147.193,912 98.005,914 44.313,916 5.807,917 141.386,918 209.108,919 98.005,920 17.222,922 62.236,923 126.769,924 104.682,925 13.915,926 129.482,928 164.795,929 239.39,930 44.313,931 5.807,933 164.795,934 44.313,937 99.214,938 114.466,939 31.518,941 164.795,942 142.318,943 147.193,945 5.807,946 164.795,947 16.437,948 94.305,949 33.203,950 139.758,951 164.795,952 142.318,953 147.193,955 0.592,956 0.363,957 0.179,958 0.096,959 20,960 10,961 0.093,962 4,963 1,964 1.133,965 3.74,966 228.223,967 0.133,968 15,969 126.382,973 1,974 18.453,975 7.114,976 3.489,977 0.631,978 141.154,979 10.905,980 4.141,984 1.82,987 454.306,988 44,991 -3.917,993 25.567,995 1.366,996 4.018,999 41.876,1000 45.989,1001 0.336,1002 0.731,1003 0.867,1004 0.929,1005 0.938,1006 0.948,1007 5.069,1008 1.266,1009 5.866,1010 4.397,1011 4.443,1012 5.127,1013 2.866,1014 6.758,1015 4.37,1016 6.351,1017 1.084,1018 7.496,1019 3.454,1020 4.29,1021 5.231,1023 8.061,1024 4.15,1025 7.717,1026 0.829,1027 9.243,1028 2.889,1029 6.168,1030 7.521,1031 4.242,1032 11.136,1033 5.995,1034 9.128,1035 0.575,1036 11.063,1037 1.874,1038 6.836,1039 8.468,1041 13.289,1042 6.568,1043 10.573,1044 0.479,1045 12.933,1046 0.946,1047 8.253,1048 10.263,1049 5.652,1050 16.006,1051 7.943,1052 12.046,1053 0.224,1054 14.84,1055 0.872,1056 9.261,1057 11.558,1059 18.459,1060 8.846,1061 13.541,1062 -0.18,1063 16.774,1064 0.427,1065 10.539,1066 13.187,1067 7.07,1068 21.092,1069 10.065,1070 3.534,1071 -0.586,1072 18.731,1073 -0.333,1074 11.685,1075 14.629,1077 23.649,1078 11.11,1079 3.091,1080 13.727,1081 20.704,1082 -1.265,1083 12.927,1084 16.202,1085 8.49,1086 26.264,1087 12.278,1088 2.614,1089 10.36,1090 22.691,1091 4.8,1092 14.129,1093 17.705,1095 28.857,1096 13.384,1097 2.357,1098 7.921,1099 24.689,1100 4.519,1101 15.366,1102 19.26,1103 9.911,1104 31.47,1105 14.539,1106 2.145,1107 6.733,1108 26.695,1109 3.651,1110 16.593,1111 20.79,1113 34.077,1114 15.673,1115 1.968,1116 6.272,1117 28.707,1118 3.274,1119 17.834,1120 22.34,1121 11.331,1122 36.692,1123 16.827,1124 1.614,1125 5.913,1126 30.725,1127 2.882,1128 19.073,1129 23.882,1131 39.305,1132 17.975,1133 8274,1134 15693,1135 18.493,1136 29.637,1137 46.421,1138 50.05,1139 46.162,1140 43.533,1141 43.557,1142 62.023,1143 8.139,1144 131.573,1145 42.02,1146 5.759,1147 6.742,1148 7.247,1149 5.52,1150 5.534,1151 7.8,1152 4.069,1153 21.872,1154 5.253,1155 16.08,1156 1.601,1157 1.726,1158 1.592,1159 1.501,1160 1.502,1161 2.139,1162 0.281,1163 4.537,1164 1.449,1165 4.139,1166 4.175,1167 4.741,1168 4.086,1169 7.715,1170 4.027,1171 4.067,1172 4.059,1173 4.088,1174 3.97,1175 6.999,1176 3.972,1177 3.712,1178 3.73,1179 3.775,1180 3.616,1181 6.822,1182 3.558,1183 3.498,1184 3.529,1185 3.475,1186 3.394,1187 6.818,1188 3.397,1189 3.299,1190 3.365,1191 3.221,1192 3.152,1193 5.071,1194 3.153,1195 3.206,1196 3.254,1197 3.177,1198 2.969,1199 4.65,1200 2.991,1201 3.06,1202 3.142,1203 2.918,1204 2.861,1205 4.578,1206 2.849,1207 2.882,1208 2.974,1209 2.702,1210 2.669,1211 4.219,1212 2.664,1213 0.171,1214 0.164,1215 0.265,1216 0.154,1217 0.122,1218 4.959,1219 0.166,1220 4.742,1221 0.07,1222 7.698,1223 0.473,1224 4.461,1225 0.112,1226 3.534,1227 4.8,1228 2.035,1229 13.727,1230 3.253,1231 1.988,1232 1.994,1233 2.016,1234 2.066,1235 1.229,1236 2.084,1237 1.921,1238 1.889,1239 1.991,1240 2.042,1241 1.107,1242 2.037,1243 1.594,1244 1.578,1245 1.685,1246 1.8,1247 0.788,1248 1.801,1249 1.44,1250 1.427,1251 1.562,1252 1.598,1253 0.631,1254 1.604,1255 1.282,1256 1.219,1257 1.554,1258 1.473,1259 0.599,1260 1.501,1261 1.148,1262 1.087,1263 1.211,1264 1.386,1265 0.417,1266 1.368,1267 1.071,1268 1.002,1269 1.14,1270 1.308,1271 0.133,1272 1.337,1273 0.856,1274 0.773,1275 1.05,1276 1.098,1277 0.068,1278 1.101,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.727,1285 8.608,1286 6.823,1287 10.29,1289 2.969,1300 0.841,1303 18.03,1304 3.978,1305 28.852,1306 73.788,1307 160.54,1308 190.54,1309 204.15,1310 206.15,1311 208.15,1312 63.289,1313 7.171,1314 114.62,1315 123,1316 17,1317 12.594,1318 4.459,1319 4,1320 47.042,1321 105,1322 101,1323 0.221,1324 186.013,1325 320.59,1326 445.631,1327 12300,1329 19.604,1330 0.726,1331 0.568,1332 19.854,1333 15.343,1334 12.862,1335 0.444,1336 0.318,1337 7.78,1338 11.55,1339 7.401,1340 6.203,1341 13.65,1342 9.217,1343 11.82,1344 0.281,1345 0.182,1346 13.162,1347 7.651,1348 10.326,1349 0.184,1350 0.103,1351 11.712,1352 5.768,1353 7.685,1354 0.113,1355 0.054,1356 8.739,1357 3.671,1358 6.039,1359 0.074,1360 0.029,1361 6.869,1362 2.399,1363 0.347,1364 88.885,1365 0.233,1366 25.838,1367 0.605,1368 142,1369 488.202,1370 196.077,1371 503.354,1372 675.42,1373 460,1374 169,1375 469.662,1376 231.834,1377 516.271,1378 741.82,1379 480,1380 8.62}
{0 CHEMBL1928572,1 1.911,2 11.138,3 2.752,4 7.572,5 110.751,6 9.381,7 0.516,8 3.948,9 4.025,10 3.961,11 3.583,12 5.129,13 3.527,14 4.475,15 4.602,16 4.216,17 3.935,18 5.979,19 3.898,20 4.667,21 4.787,22 4.273,23 4.084,24 6.114,25 4.026,26 4.795,27 4.949,28 4.227,29 4.062,30 6.196,31 3.983,32 4.75,33 4.944,34 4.226,35 3.938,36 6.015,37 3.867,38 4.637,39 4.78,40 4.169,41 3.872,42 6.34,43 3.818,44 4.714,45 4.923,46 3.887,47 3.795,48 6.135,49 3.712,50 4.478,51 4.688,52 3.712,53 3.715,54 5.702,55 3.612,56 0.178,57 0.763,58 10.248,59 4.892,60 30.089,61 4.469,62 0.565,63 1.169,64 18.849,65 7.547,66 89.571,67 7.599,68 0.581,69 1.381,70 23.516,71 9.623,72 79.797,73 8.671,74 0.752,75 1.476,76 31.408,77 11.265,78 121.971,79 10.068,80 0.832,81 1.372,82 31.113,83 10.227,84 146.957,85 10.084,86 0.879,87 1.285,88 27.416,89 9.046,90 156.196,91 8.868,92 1.036,93 1.247,94 30.316,95 9.248,96 147.727,97 9.368,98 0.553,99 0.996,100 22.794,101 8.308,102 89.49,103 9.23,104 69,105 47,106 0.32,107 0.654,108 0.815,109 0.858,110 0.858,111 0.858,112 3.408,113 1.121,114 -2.69,115 -2.7,116 -2.63,119 39.1,120 1,124 2,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 2,172 5,174 4,175 6,183 6,186 2,187 16,195 4,198 2,199 12,207 1,211 3,212 12,223 7,224 5,232 2,236 7,237 3,245 2,249 1,250 6,258 3,263 8,271 4,275 1317,276 18.477,277 18.477,278 18.477,279 18.477,280 18.477,281 15.807,282 12.439,283 10.27,284 18.985,285 15.153,286 15.153,287 15.153,288 15.153,289 15.153,290 10.79,291 7.564,292 4.724,293 16.057,294 3.612,295 1.612,296 0.649,297 0.397,298 0.397,299 0.397,300 4.077,304 1,305 1,306 676,307 4.637,310 70.527,311 189.779,314 130.387,318 1.6,319 53.066,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 64.5,331 323,332 4.972,333 5.182,334 7.7,335 4.47,336 3.546,337 4.83,338 2.95,339 13.738,340 3.254,341 4.778,342 4.736,343 7.111,344 4.158,345 3.29,346 4.617,347 2.035,348 11.661,349 2.991,350 4.562,351 4.058,352 6.547,353 4.058,354 3.091,355 4.518,357 10.36,358 2.824,359 3.9,360 3.097,361 5.897,362 3.443,363 2.458,364 3.414,366 7.625,367 2.407,368 3.866,369 2.732,370 5.292,371 3.343,372 2.351,373 3.272,375 6.73,376 2.331,377 3.469,378 2.501,379 5.096,380 2.936,381 1.975,382 2.79,384 5.924,385 1.892,386 3.077,387 2.361,388 4.709,389 2.581,390 1.625,391 2.284,393 4.65,394 1.541,395 3.024,396 2.191,397 4.587,398 2.54,399 1.564,400 2.112,402 4.39,403 1.516,404 3.002,405 1.887,406 4.156,407 2.234,408 1.266,409 1.832,411 3.452,412 1.223,413 2.693,414 1.374,415 3.881,416 2.069,417 1.083,418 1.646,420 2.88,421 1.066,422 2.611,423 1.174,424 3.32,425 1.792,426 0.829,427 1.249,428 1.874,429 0.796,430 2.197,431 0.954,432 3.112,433 1.417,434 0.481,435 0.834,436 0.891,437 0.449,438 1.854,439 0.922,440 2.884,441 1.167,442 0.225,443 0.359,445 0.43,446 0.212,447 1.252,448 0.628,449 2.792,450 0.885,451 -0.081,452 -0.101,454 -0.192,455 -0.077,456 1,457 0.301,458 2.728,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 14,466 0.483,467 1.137,468 0.039,469 42.5,470 1.466,471 24.5,472 0.845,473 18,474 0.621,475 21.779,476 0.751,477 31,478 0.674,479 36.076,480 1.244,481 8.086,482 0.279,483 5.449,484 0.188,485 0.231,486 0.119,487 0.271,493 0.387,494 1.255,495 0.829,496 1.33,497 0.636,498 0.944,499 0.676,500 1.047,501 0.881,502 0.923,503 0.55,504 0.742,505 1.154,506 1.173,507 1.257,508 1.182,509 0.989,510 1.063,511 1.364,512 1.151,513 1.205,514 1.146,515 1.305,516 1.18,517 1.211,518 0.923,519 0.912,520 0.937,521 1.286,522 0.884,523 0.835,524 1.315,525 1.273,526 1.371,527 0.756,528 1.175,529 1.346,530 0.701,531 1.12,532 0.786,533 1.321,534 0.937,535 1.013,536 0.756,537 0.869,538 0.797,539 0.962,540 0.9,541 9,542 0.199,543 5.333,544 2.792,545 1.884,546 1.663,547 0.788,548 0.472,549 0.344,550 0.295,551 9998,552 37256,553 1.938,554 37,555 3,556 11,557 1,558 2,564 1.72,565 1.74,566 3.434,567 -0.615,568 1,569 1,573 87.929,574 1.911,575 3.912,576 4.874,577 5.127,578 5.127,579 5.127,580 2.872,581 4.418,582 4.833,583 3.616,584 1468.04,585 8.417,586 19821.8,588 1,590 1,591 254.084,592 1.822,593 4.728,594 0.29,595 0.008,596 0.113,597 0.057,598 0.044,599 0.043,600 0.02,601 0.015,602 0.012,603 0.011,604 0.613,605 0.33,606 0.88,607 0.946,608 147.113,609 0.204,610 -0.069,611 0.266,612 -0.13,613 -0.125,614 -0.008,615 0.195,616 0.037,617 0.089,618 0.104,619 0.227,620 0.182,621 -0.188,622 -0.098,623 -0.243,624 -0.119,625 -0.06,626 -0.148,627 -0.273,628 -0.159,629 -0.207,630 -0.143,631 -0.205,632 -0.238,633 -0.109,634 0.032,635 0.15,636 0.066,637 -0.217,638 0.114,639 0.288,640 -0.277,641 -0.147,642 -0.288,643 0.35,644 -0.233,645 -0.111,646 0.235,647 -0.135,648 0.127,649 -0.13,650 0.029,651 -0.094,652 0.114,653 0.057,654 0.14,655 -0.078,656 0.158,657 4.997,658 5.909,659 0.517,660 25.187,661 1.028,662 1.123,663 1.458,664 2.125,665 0.711,666 3.466,667 3.871,668 4.111,669 4.29,670 4.489,671 4.595,672 4.564,673 4.575,674 4.489,675 4.489,676 6.694,677 0.685,678 431.54,679 3.466,680 5.056,681 5.916,682 6.823,683 7.706,684 8.613,685 9.501,686 10.408,687 11.298,688 12.206,689 10.9,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,731 46,733 22,734 1,735 31,737 48,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 3,766 5,769 2,771 4,773 1,774 1,778 1,781 17,782 8,784 11,785 2,790 5,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 2,844 3,848 29,851 1,852 1,859 1,861 1,866 1,868 1,870 8.7,873 4,877 16.667,878 9.417,879 6.167,880 2.384,881 4.004,882 1.547,883 0.984,884 5.403,885 11.324,886 3.85,887 4.551,888 5.111,889 5.668,890 6.195,891 6.624,892 6.927,893 7.206,894 7.29,895 7.574,896 1,897 49,898 11.242,900 5.426,901 8.27,902 19.636,904 16.28,905 2.77,906 80.333,909 1,910 200.109,911 142.193,912 66.945,914 88.626,916 11.853,917 130.34,918 288.735,919 66.945,920 24.412,922 68.282,923 154.48,924 71.988,925 13.915,926 164.795,928 200.109,929 197.285,930 88.626,931 11.853,933 200.109,934 88.626,937 68.155,938 103.419,939 37.564,941 200.109,942 155.571,943 142.193,945 11.853,946 200.109,947 14.802,948 101.495,949 16.602,950 153.011,951 200.109,952 155.571,953 142.193,955 0.61,956 0.355,957 0.166,958 0.089,959 23,960 12,961 0.104,962 5,963 1,964 1.133,965 3.823,966 254.562,967 0.133,968 15,969 136.881,973 2,974 20.854,975 7.513,976 4.119,977 0.592,978 154.407,979 10.258,980 4.126,984 1.11,987 497.873,988 46,991 -7.646,993 49.38,995 1.316,996 3.988,999 47.273,1000 51.66,1001 0.346,1002 0.708,1003 0.882,1004 0.928,1005 0.928,1006 0.928,1007 5.13,1008 1.564,1009 6.004,1010 4.65,1011 4.554,1012 5.239,1013 3.284,1014 6.93,1015 4.438,1016 6.444,1017 1.266,1018 7.663,1019 4.39,1020 4.575,1021 5.557,1023 8.354,1024 4.33,1025 7.848,1026 1.083,1027 9.442,1028 3.452,1029 6.354,1030 7.714,1031 5.23,1032 11.381,1033 6.08,1034 9.295,1035 0.829,1036 11.29,1037 2.88,1038 7.132,1039 8.795,1041 13.567,1042 6.713,1043 10.775,1044 0.481,1045 13.183,1046 1.874,1047 8.513,1048 10.534,1049 7.287,1050 16.257,1051 8.047,1052 12.279,1053 0.225,1054 15.106,1055 0.891,1056 9.572,1057 11.901,1059 18.7,1060 8.974,1061 13.8,1062 -0.081,1063 17.051,1064 0.43,1065 10.838,1066 13.51,1067 9.398,1068 21.309,1069 10.174,1070 3.546,1071 -0.586,1072 19.012,1073 -0.192,1074 12.002,1075 14.985,1077 23.844,1078 11.223,1079 3.29,1080 13.738,1081 20.985,1082 -1.265,1083 13.238,1084 16.552,1085 11.535,1086 26.437,1087 12.38,1088 3.091,1089 11.661,1090 22.968,1091 4.83,1092 14.444,1093 18.07,1095 29.01,1096 13.483,1097 2.458,1098 10.36,1099 24.959,1100 4.617,1101 15.675,1102 19.624,1103 13.686,1104 31.605,1105 14.629,1106 2.351,1107 7.625,1108 26.957,1109 4.518,1110 16.898,1111 21.16,1113 34.196,1114 15.758,1115 1.975,1116 6.73,1117 28.959,1118 3.414,1119 18.132,1120 22.711,1121 15.844,1122 36.797,1123 16.905,1124 1.625,1125 5.924,1126 30.966,1127 3.272,1128 19.364,1129 24.255,1131 39.398,1132 18.047,1133 9908,1134 19307,1135 19.186,1136 32.71,1137 49.428,1138 53.523,1139 50.04,1140 47.672,1141 47.568,1142 67.517,1143 9.969,1144 149.21,1145 45.001,1146 5.777,1147 7.182,1148 7.249,1149 5.549,1150 5.546,1151 7.83,1152 5.9,1153 21.902,1154 5.254,1155 19.497,1156 1.594,1157 1.727,1158 1.614,1159 1.538,1160 1.534,1161 2.178,1162 0.322,1163 4.813,1164 1.452,1165 4.164,1166 4.18,1167 4.78,1168 4.162,1169 7.72,1170 4.069,1171 4.098,1172 4.099,1173 4.689,1174 3.977,1175 7.711,1176 3.99,1177 3.899,1178 3.844,1179 4.088,1180 3.893,1181 6.999,1182 3.738,1183 3.588,1184 3.619,1185 3.622,1186 3.478,1187 6.999,1188 3.446,1189 3.486,1190 3.517,1191 3.473,1192 3.385,1193 6.82,1194 3.368,1195 3.208,1196 3.254,1197 3.19,1198 2.969,1199 5.071,1200 2.991,1201 3.072,1202 3.163,1203 2.918,1204 2.904,1205 4.649,1206 2.873,1207 3.057,1208 3.137,1209 2.857,1210 2.86,1211 4.578,1212 2.848,1213 0.16,1214 0.167,1215 0.248,1216 0.144,1217 0.114,1218 4.972,1219 0.156,1220 5.182,1221 0.095,1222 7.7,1223 0.443,1224 4.47,1225 0.105,1226 3.546,1227 4.83,1228 2.95,1229 13.738,1230 3.254,1231 2.027,1232 2.047,1233 2.005,1234 2.076,1235 1.295,1236 2.123,1237 1.922,1238 1.89,1239 1.991,1240 2.055,1241 1.108,1242 2.039,1243 1.686,1244 1.734,1245 1.686,1246 1.836,1247 0.966,1248 1.883,1249 1.538,1250 1.502,1251 1.621,1252 1.702,1253 0.773,1254 1.735,1255 1.41,1256 1.396,1257 1.562,1258 1.586,1259 0.631,1260 1.598,1261 1.148,1262 1.087,1263 1.473,1264 1.386,1265 0.548,1266 1.403,1267 1.107,1268 1.019,1269 1.211,1270 1.344,1271 0.41,1272 1.345,1273 1.063,1274 0.997,1275 1.133,1276 1.287,1277 0.133,1278 1.335,1279 4.143,1281 5.525,1282 2.398,1283 7.093,1284 4.727,1285 8.739,1286 6.823,1287 10.428,1289 3.84,1300 0.763,1303 9.038,1304 2.029,1305 31.501,1306 87.929,1307 179.945,1308 224.21,1309 235.819,1310 235.819,1311 235.819,1312 84.82,1313 7.32,1314 124.97,1315 141.73,1316 17,1317 12.726,1318 4.524,1319 4,1320 52.52,1321 117,1322 117,1323 0.22,1324 204.197,1325 350.96,1326 490,1327 14848,1329 21.397,1330 0.738,1331 0.601,1332 21.897,1333 17.437,1334 13.535,1335 0.437,1336 0.374,1337 8.399,1338 11.38,1339 7.789,1340 6.521,1341 15.218,1342 11.581,1343 13.608,1344 0.29,1345 0.219,1346 16.338,1347 10.274,1348 10.865,1349 0.181,1350 0.119,1351 12.994,1352 7.149,1353 8.013,1354 0.111,1355 0.063,1356 9.568,1357 4.534,1358 6.207,1359 0.071,1360 0.039,1361 7.649,1362 3.399,1363 0.345,1364 102.514,1365 0.228,1366 27.397,1367 0.602,1368 156,1369 558.889,1370 246.342,1371 582.553,1372 773.26,1373 528,1374 185,1375 513.978,1376 288.999,1377 590.148,1378 846.36,1379 546,1380 6.456}
{0 CHEMBL1928573,1 2.014,2 11.138,3 4.168,4 17.373,5 102.97,6 9.801,7 0.516,8 3.9,9 3.988,10 3.819,11 3.465,12 5.186,13 3.469,14 4.437,15 4.571,16 4.218,17 3.824,18 6.252,19 3.842,20 4.577,21 4.704,22 4.239,23 3.98,24 6.085,25 3.964,26 4.769,27 4.938,28 4.16,29 3.936,30 6.264,31 3.92,32 4.667,33 4.856,34 4.157,35 3.776,36 6.057,37 3.785,38 4.582,39 4.736,40 4.172,41 3.698,42 6.555,43 3.726,44 4.617,45 4.851,46 3.872,47 3.625,48 6.16,49 3.607,50 4.337,51 4.533,52 3.685,53 3.554,54 5.757,55 3.523,56 0.246,57 0.911,58 6.386,59 4.115,60 48.854,61 3.645,62 1.062,63 1.733,64 13.032,65 6.317,66 181.762,67 5.962,68 0.643,69 1.588,70 16.641,71 8.33,72 84.206,73 7.431,74 1.178,75 1.682,76 26.531,77 10.007,78 203.435,79 8.422,80 1.089,81 1.534,82 26.551,83 8.798,84 211.759,85 7.691,86 1.383,87 1.447,88 17.352,89 6.825,90 242.152,91 6.669,92 1.29,93 1.407,94 25.391,95 7.812,96 187.358,97 8.087,98 0.858,99 1.141,100 17.67,101 6.968,102 144.785,103 6.55,104 69,105 47,106 0.344,107 0.689,108 0.808,109 0.854,110 0.862,111 0.862,112 3.408,113 0.925,114 -3.85,115 -3.81,116 -3.62,119 41.9,120 1,124 1,132 1,142 5,143 4,144 1,145 1,151 1,152 1,155 1,158 1,166 2,172 7,174 3,175 6,183 7,186 2,187 12,195 5,198 2,199 13,207 2,211 3,212 11,223 1,224 3,232 2,236 5,237 3,245 3,249 1,250 6,258 3,263 8,271 5,275 1317,276 18.477,277 18.477,278 18.477,279 18.477,280 18.477,281 16.147,282 13.741,283 10.27,284 18.992,285 15.153,286 15.153,287 15.153,288 15.153,289 15.153,290 11.342,291 9.6,292 4.724,293 16.116,294 3.412,295 1.392,296 0.695,297 0.425,298 0.378,299 0.378,300 4.077,304 1,305 1,306 676,307 4.637,310 70.527,311 189.779,314 130.387,318 1.6,319 62.574,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 67,331 323,332 4.962,333 4.744,334 7.7,335 4.471,336 3.546,337 4.802,338 3.825,339 13.738,340 3.259,341 4.562,342 4.455,343 7.111,344 4.147,345 3.29,346 4.519,347 2.035,348 11.661,349 2.991,350 4.421,351 4.058,352 6.547,353 4.058,354 3.091,355 3.798,357 10.36,358 2.849,359 3.895,360 3.097,361 5.897,362 3.432,363 2.458,364 3.276,366 7.625,367 2.371,368 3.808,369 2.658,370 5.292,371 3.342,372 2.351,373 3.159,375 6.73,376 2.325,377 3.467,378 2.386,379 5.096,380 2.936,381 1.975,382 2.788,384 5.924,385 1.891,386 3.024,387 2.21,388 4.709,389 2.575,390 1.625,391 2.12,393 4.65,394 1.534,395 3.011,396 1.932,397 4.587,398 2.495,399 1.564,400 2.011,402 4.39,403 1.409,404 2.902,405 1.885,406 4.156,407 2.234,408 1.266,409 1.832,411 3.452,412 1.223,413 2.693,414 1.372,415 3.881,416 2.069,417 1.083,418 1.646,420 2.88,421 1.066,422 2.611,423 1.173,424 3.32,425 1.792,426 0.829,427 1.249,428 1.874,429 0.796,430 2.197,431 0.929,432 3.112,433 1.417,434 0.481,435 0.834,436 0.891,437 0.449,438 1.854,439 0.633,440 2.884,441 1.167,442 0.225,443 0.359,445 0.43,446 0.212,447 1.222,448 0.51,449 2.792,450 0.891,451 -0.081,452 -0.099,454 -0.192,455 -0.078,456 1,457 0.51,458 2.728,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 13.357,466 0.461,467 1.137,468 0.039,469 39.75,470 1.371,471 21.5,472 0.741,473 18.25,474 0.629,475 22.225,476 0.766,477 31.643,478 0.736,479 35.63,480 1.229,481 7.971,482 0.275,483 5.564,484 0.192,485 0.219,486 0.1,487 0.284,490 3,493 0.49,494 0.999,495 0.696,496 1.228,497 0.614,498 0.921,499 0.478,500 0.75,501 0.634,502 0.775,503 0.428,504 0.719,505 0.732,506 1.024,507 1.179,508 1.302,509 0.622,510 1.121,511 1.248,512 1.03,513 1.446,514 1.233,515 1.232,516 1.185,517 1.125,518 0.926,519 1.015,520 1.011,521 1.232,522 0.917,523 0.657,524 1.028,525 0.908,526 1.114,527 0.668,528 1.14,529 1.159,530 0.771,531 1.073,532 0.701,533 1.155,534 0.862,535 1.297,536 0.933,537 1.126,538 0.86,539 1.233,540 0.932,541 9,542 0.199,543 5.333,544 2.792,545 1.884,546 1.663,547 0.788,548 0.472,549 0.344,550 0.295,551 9998,552 42286,553 1.938,554 32.6,555 3,556 8,557 1,558 2,564 1.72,565 1.74,566 3.434,567 -0.615,569 1,573 86.603,574 2.014,575 4.034,576 4.732,577 5.002,578 5.048,579 5.048,580 2.872,581 4.418,582 4.833,583 3.616,584 1468.04,585 8.417,586 19821.8,588 1,590 1,591 233.329,592 1.822,593 4.728,594 0.29,595 0.008,596 0.113,597 0.057,598 0.044,599 0.043,600 0.02,601 0.015,602 0.012,603 0.011,604 0.613,605 0.33,606 1,607 0.946,608 147.113,609 0.063,610 -0.058,611 0.173,612 -0.122,613 -0.096,614 -0.026,615 0.382,616 0.258,617 0.224,618 0.203,619 0.378,620 0.171,621 -0.064,622 -0.156,623 -0.178,624 -0.201,625 0.035,626 -0.18,627 -0.278,628 -0.13,629 -0.337,630 -0.163,631 -0.225,632 -0.204,633 -0.174,634 -0.123,635 0.098,637 -0.249,638 0.094,639 0.418,640 -0.043,641 0.051,642 -0.169,643 0.409,644 -0.238,645 -0.049,646 0.203,647 0.001,648 0.232,649 -0.09,650 0.177,651 -0.231,652 0.102,653 -0.097,654 0.173,655 -0.195,656 0.13,657 5.921,658 5.737,659 0.517,660 25.187,661 1.048,662 1.147,663 2.621,664 6.869,665 0.697,666 3.466,667 3.871,668 4.111,669 4.29,670 4.489,671 4.595,672 4.564,673 4.575,674 4.489,675 4.489,676 6.694,677 0.698,678 421.44,679 3.466,680 5.056,681 5.916,682 6.823,683 7.706,684 8.613,685 9.501,686 10.408,687 11.298,688 12.206,689 11.6,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,731 43,733 20,734 1,735 31,737 45,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,757 1,760 1,761 14,762 3,766 3,769 1,771 2,773 1,774 1,778 1,779 3,781 14,782 9,784 11,785 1,790 5,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,846 3,848 29,852 1,859 1,860 1,861 1,866 1,868 1,869 3,870 4.7,873 2,877 16.667,878 8.595,879 6.167,880 2.29,881 3.853,882 1.526,883 0.984,884 5.299,885 11.172,886 3.807,887 4.474,888 5.074,889 5.636,890 6.158,891 6.547,892 6.877,893 7.16,894 7.27,895 7.549,896 1,897 49,898 11.674,900 6.022,901 8.557,902 19.084,904 15.585,905 3.057,906 88.667,909 1,910 164.795,911 138.351,912 66.945,914 44.313,915 44.88,916 5.807,917 132.544,918 209.108,919 111.826,920 17.222,922 62.236,923 110.167,924 118.503,925 13.915,926 129.482,927 7.76,928 164.795,929 199.489,930 89.193,931 5.807,933 164.795,934 89.193,937 75.915,938 97.864,939 31.518,941 209.676,942 111.258,943 138.351,945 5.807,946 172.555,947 16.437,948 94.305,949 16.602,950 153.579,951 164.795,952 156.139,953 138.351,955 0.61,956 0.355,957 0.166,958 0.089,959 23,960 12,961 0.089,962 4,963 1,964 1.133,965 3.823,966 254.562,967 0.133,968 15,969 134.127,973 1,974 20.702,975 7.423,976 4.061,977 0.522,978 154.975,979 8.623,980 4.068,984 -0.572,987 459.285,988 44,991 -4.316,993 25.473,995 1.212,996 3.856,999 45.08,1000 49.341,1001 0.371,1002 0.743,1003 0.872,1004 0.922,1005 0.93,1006 0.93,1007 5.094,1008 1.564,1009 6.004,1010 4.65,1011 4.554,1012 5.162,1013 3.371,1014 6.93,1015 4.435,1016 6.392,1017 1.266,1018 7.663,1019 4.39,1020 4.575,1021 5.352,1022 3.903,1023 8.354,1024 4.309,1025 7.776,1026 1.083,1027 9.442,1028 3.452,1029 6.354,1030 7.556,1031 5.562,1032 11.381,1033 6.084,1034 9.202,1035 0.829,1036 11.29,1037 2.88,1038 7.132,1039 8.535,1040 6.69,1041 13.567,1042 6.707,1043 10.661,1044 0.481,1045 13.183,1046 1.874,1047 8.513,1048 10.299,1049 8.102,1050 16.257,1051 8.056,1052 12.143,1053 0.225,1054 15.106,1055 0.891,1056 9.572,1057 11.602,1058 9.388,1059 18.7,1060 8.98,1061 13.645,1062 -0.081,1063 17.051,1064 0.43,1065 10.838,1066 13.219,1067 10.747,1068 21.309,1069 10.187,1070 3.546,1071 -0.586,1072 19.012,1073 -0.192,1074 12.002,1075 14.66,1076 12.074,1077 23.844,1078 11.237,1079 3.29,1080 13.738,1081 20.985,1082 -1.265,1083 13.238,1084 16.227,1085 13.42,1086 26.437,1087 12.398,1088 3.091,1089 11.661,1090 22.968,1091 4.802,1092 14.444,1093 17.728,1094 14.758,1095 29.01,1096 13.502,1097 2.458,1098 10.36,1099 24.959,1100 4.519,1101 15.675,1102 19.279,1103 16.101,1104 31.605,1105 14.651,1106 2.351,1107 7.625,1108 26.957,1109 3.798,1110 16.898,1111 20.807,1112 17.441,1113 34.196,1114 15.782,1115 1.975,1116 6.73,1117 28.959,1118 3.276,1119 18.132,1120 22.355,1121 18.783,1122 36.797,1123 16.931,1124 1.625,1125 5.924,1126 30.966,1127 3.159,1128 19.364,1129 23.896,1130 20.124,1131 39.398,1132 18.074,1133 9908,1134 20577,1135 19.186,1136 29.966,1137 49.909,1138 50.691,1139 50.04,1140 47.781,1141 47.568,1142 64.788,1143 11.72,1144 149.21,1145 44.749,1146 5.77,1147 6.744,1148 7.249,1149 5.534,1150 5.546,1151 7.802,1152 5.86,1153 21.902,1154 5.259,1155 19.497,1156 1.61,1157 1.635,1158 1.614,1159 1.541,1160 1.534,1161 2.09,1162 0.378,1163 4.813,1164 1.444,1165 4.14,1166 4.176,1167 4.742,1168 4.086,1169 8.513,1170 4.028,1171 4.07,1172 4.065,1173 4.088,1174 3.97,1175 7.999,1176 3.972,1177 3.731,1178 3.744,1179 3.814,1180 3.615,1181 7.999,1182 3.561,1183 3.501,1184 3.534,1185 3.476,1186 3.394,1187 7.715,1188 3.397,1189 3.374,1190 3.432,1191 3.347,1192 3.144,1193 6.999,1194 3.162,1195 3.207,1196 3.254,1197 3.188,1198 2.969,1199 6.82,1200 2.991,1201 3.061,1202 3.142,1203 2.918,1204 2.861,1205 5.071,1206 2.849,1207 2.961,1208 3.048,1209 2.786,1210 2.653,1211 4.651,1212 2.671,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.962,1219 0.155,1220 4.744,1221 0.123,1222 7.7,1223 0.443,1224 4.471,1225 0.105,1226 3.546,1227 4.802,1228 3.825,1229 13.738,1230 3.259,1231 1.987,1232 1.994,1233 2.014,1234 2.069,1235 1.243,1236 2.087,1237 1.921,1238 1.889,1239 1.991,1240 2.048,1241 1.107,1242 2.037,1243 1.594,1244 1.578,1245 1.685,1246 1.808,1247 0.794,1248 1.805,1249 1.44,1250 1.427,1251 1.562,1252 1.607,1253 0.634,1254 1.606,1255 1.276,1256 1.216,1257 1.55,1258 1.533,1259 0.631,1260 1.522,1261 1.148,1262 1.087,1263 1.211,1264 1.386,1265 0.427,1266 1.37,1267 1.071,1268 1.002,1269 1.138,1270 1.313,1271 0.135,1272 1.337,1273 0.838,1274 0.762,1275 1.05,1276 1.192,1277 0.118,1278 1.154,1279 4.143,1281 5.525,1282 2.398,1283 7.093,1284 4.727,1285 8.739,1286 6.823,1287 10.428,1289 2.525,1291 38.888,1300 0.59,1301 -4.671,1303 9.001,1304 1.987,1305 30.034,1306 86.603,1307 173.455,1308 203.455,1309 215.065,1310 217.065,1311 217.065,1312 88.255,1313 7.32,1314 90.83,1315 99.21,1316 17,1317 12.726,1318 4.392,1319 3.807,1320 52.52,1321 117,1322 117,1323 0.22,1324 188.668,1325 333.08,1326 452.11,1327 14848,1328 7,1329 21.397,1330 0.738,1331 0.553,1332 19.147,1333 16.03,1334 13.535,1335 0.437,1336 0.308,1337 8.055,1338 11.97,1339 7.735,1340 6.415,1341 13.112,1342 9.561,1343 13.608,1344 0.29,1345 0.171,1346 12.993,1347 8.037,1348 10.865,1349 0.181,1350 0.099,1351 11.288,1352 5.967,1353 8.013,1354 0.111,1355 0.052,1356 8.508,1357 3.778,1358 6.207,1359 0.071,1360 0.029,1361 6.808,1362 2.513,1363 0.345,1364 94.821,1365 0.228,1366 27.397,1367 0.602,1368 156,1369 720.89,1370 226.4,1371 637.951,1372 828.78,1373 582,1374 185,1375 560.254,1376 257.644,1377 585.183,1378 867.66,1379 544,1380 7.678}
{0 CHEMBL1928717,1 1.748,2 10.346,3 3.712,4 13.779,5 102.037,6 8.546,7 0.571,8 3.868,9 3.969,10 3.715,11 3.471,12 5.049,13 3.433,14 4.374,15 4.531,16 4.024,17 3.831,18 5.697,19 3.793,20 4.545,21 4.685,22 4.1,23 3.987,24 5.884,25 3.92,26 4.717,27 4.905,28 3.995,29 3.946,30 6.014,31 3.861,32 4.622,33 4.831,34 3.851,35 3.788,36 5.901,37 3.718,38 4.503,39 4.693,40 3.765,41 3.71,42 5.801,43 3.634,44 4.538,45 4.803,46 3.616,47 3.639,48 5.734,49 3.524,50 4.257,51 4.482,52 3.533,53 3.565,54 5.363,55 3.461,56 0.123,57 0.695,58 9.497,59 4.026,60 15.09,61 4.446,62 0.362,63 1.065,64 15.828,65 6.116,66 46.881,67 7.343,68 0.287,69 1.264,70 20.881,71 8.193,72 32.714,73 8.823,74 0.478,75 1.361,76 28.898,77 9.82,78 77.43,79 10.57,80 0.542,81 1.209,82 27.266,83 8.569,84 82.694,85 9.373,86 0.419,87 1.115,88 20.555,89 6.703,90 63.242,91 7.643,92 0.572,93 1.072,94 24.751,95 7.634,96 68.125,97 9.952,98 0.223,99 0.825,100 17.498,101 6.752,102 34.617,103 8.422,104 38,105 41,106 0.298,107 0.648,108 0.776,109 0.83,110 0.862,111 0.862,112 3.304,113 0.99,114 -3.24,115 -3.23,116 -3.1,119 41.9,120 2,124 1,142 5,143 4,144 1,145 1,151 1,152 1,155 1,158 1,166 2,172 8,174 3,175 6,183 9,186 2,187 12,195 6,198 2,199 13,207 3,211 3,212 14,220 1,223 1,224 4,232 2,236 5,237 3,245 3,249 1,250 6,258 4,263 8,271 5,275 930,276 17.004,277 17.004,278 17.004,279 17.004,280 17.004,281 14.584,282 11.712,283 9.629,284 17.269,285 13.678,286 13.678,287 13.678,288 13.678,289 13.678,290 9.804,291 6.917,292 4.435,293 14.156,294 3.678,295 1.631,296 0.881,297 0.564,298 0.378,299 0.378,300 3.977,303 1,304 1,305 1,306 568,307 3.937,310 61.14,311 165.675,314 112.988,318 1.45,319 33.638,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 56.5,331 269,332 4.958,333 4.741,334 7.697,335 4.461,336 3.533,337 4.799,338 2.035,339 13.726,340 3.252,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,348 10.36,349 2.991,350 3.993,351 3.097,352 5.928,353 3.575,354 2.58,355 3.58,357 7.797,358 2.568,359 3.892,360 2.728,361 5.292,362 3.348,363 2.356,364 3.274,366 6.731,367 2.336,368 3.479,369 2.426,370 5.097,371 3.048,372 2.059,373 2.796,375 5.933,376 2.037,377 3.377,378 2.307,379 4.941,380 2.928,381 1.961,382 2.672,384 5.616,385 1.888,386 3.024,387 2.172,388 4.684,389 2.57,390 1.613,391 2.115,393 4.397,394 1.533,395 3.007,396 1.886,397 4.156,398 2.234,399 1.266,400 1.832,402 3.453,403 1.223,404 2.693,405 1.373,406 3.881,407 2.069,408 1.084,409 1.646,411 2.886,412 1.066,413 2.611,414 1.173,415 3.32,416 1.792,417 0.829,418 1.249,420 1.874,421 0.796,422 2.197,423 0.93,424 3.111,425 1.417,426 0.481,427 0.834,428 0.892,429 0.449,430 1.854,431 0.637,432 2.804,433 1.172,434 0.228,435 0.361,436 0.435,437 0.214,438 1.37,439 0.496,440 2.747,441 1.075,442 0.085,443 0.104,445 0.185,446 0.084,447 1,448 -0.017,449 2.367,450 0.376,451 -0.586,452 -0.806,454 -1.265,455 -0.563,456 0.928,457 -0.036,458 2.35,459 0.214,460 -0.751,461 -0.955,463 -2.09,464 -0.707,465 12.5,466 0.481,467 0.848,468 0.033,469 37.5,470 1.442,471 21.5,472 0.827,473 16,474 0.615,475 18.917,476 0.728,477 27.1,478 0.63,479 29.184,480 1.122,481 7.333,482 0.282,483 4.991,484 0.192,485 0.205,486 0.067,487 0.304,493 0.409,494 1.225,495 0.778,496 1.238,497 0.597,498 0.941,499 0.668,500 1.011,501 0.692,502 0.782,503 0.531,504 0.713,505 0.956,506 1.264,507 1.283,508 1.315,509 0.767,510 1.12,511 1.472,512 1.142,513 1.362,514 1.246,515 1.464,516 1.125,517 1.608,518 0.941,519 1.239,520 1.004,521 1.551,522 0.929,523 1.548,524 1.203,525 1.189,526 1.124,527 1.434,528 1.174,529 0.868,530 0.639,531 0.86,532 0.702,533 0.864,534 0.801,535 0.737,536 0.794,537 0.771,538 0.866,539 0.76,540 0.831,541 7,542 0.123,543 4.444,544 2.417,545 1.764,546 0.92,547 0.584,548 0.41,549 0.319,550 0.235,551 7589,552 23671,553 1.983,554 39.5,555 6,556 8,557 1,558 2,564 1.69,565 1.803,566 3.346,567 -0.684,569 1,573 75.174,574 1.748,575 3.795,576 4.545,577 4.862,578 5.048,579 5.048,580 2.705,581 4.287,582 4.677,583 3.498,584 1136.81,585 8.098,586 14187.9,588 1,590 1,591 233.329,592 1.717,593 4.592,594 0.25,595 0.006,596 0.108,597 0.056,598 0.048,599 0.028,600 0.021,601 0.016,602 0.013,603 0.009,604 0.556,605 0.33,606 1,607 0.85,608 127.063,609 0.237,610 -0.07,611 0.231,612 -0.126,613 -0.097,614 -0.021,615 0.246,616 0.063,617 0.229,618 0.194,619 0.198,620 0.206,621 -0.022,622 -0.165,623 -0.178,624 -0.202,625 0.067,626 -0.19,627 -0.207,628 -0.153,629 -0.212,630 -0.169,631 -0.162,632 -0.162,633 -0.219,634 0.025,635 -0.117,636 0.021,637 -0.167,638 0.03,639 -0.286,640 -0.204,641 -0.212,642 -0.179,643 -0.207,644 -0.26,645 0.175,646 0.282,647 0.151,648 0.23,649 0.076,650 0.215,651 0.084,652 0.088,653 0.22,654 0.162,655 0.047,656 0.237,657 4.672,658 5.777,659 0.577,660 20.272,661 1.013,662 1.124,663 2.006,664 4.025,665 0.701,666 3.367,667 3.738,668 4.007,669 4.205,670 4.382,671 4.357,672 4.394,673 4.443,674 4.382,675 4.382,676 6.215,677 0.672,678 367.47,679 3.367,680 4.934,681 5.796,682 6.691,683 7.573,684 8.469,685 9.357,686 10.253,687 11.143,688 12.039,689 11.6,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,731 43,733 20,734 1,735 28,737 45,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 2,760 1,761 14,762 3,766 3,769 1,771 2,773 1,774 1,778 1,781 17,782 6,784 8,785 1,790 5,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 26,852 1,859 1,861 1,866 1,868 1,870 4.7,873 2,877 14.417,878 8.917,879 5.667,880 2.37,881 3.803,882 1.537,883 0.983,884 4.714,885 10.892,886 3.738,887 4.404,888 5.016,889 5.587,890 6.099,891 6.418,892 6.797,893 7.088,894 7.239,895 7.511,896 0.857,897 43,898 9.81,900 4.412,901 8.016,902 17.836,904 14.491,905 2.516,906 65.417,909 1,910 200.109,911 139.417,912 66.945,914 44.313,916 5.807,917 133.609,918 244.422,919 66.945,920 26.047,922 62.236,923 110.167,924 73.623,925 13.915,926 164.795,928 200.109,929 200.555,930 44.313,931 5.807,933 200.109,934 44.313,937 76.98,938 97.864,939 31.518,941 200.109,942 111.258,943 139.417,945 5.807,946 200.109,947 16.437,948 103.13,949 16.602,950 108.698,951 200.109,952 111.258,953 139.417,955 0.598,956 0.36,957 0.178,958 0.097,959 20,960 10,961 0.089,962 4,963 1,964 1.133,965 3.657,966 217.194,967 0.133,968 15,969 120.211,973 1,974 17.975,975 6.819,976 3.452,977 0.672,978 110.094,979 11.828,980 4.166,984 2.85,987 450.784,988 41,991 -3.756,993 25.554,995 1.423,996 4.075,999 43.542,1000 48.322,1001 0.322,1002 0.699,1003 0.838,1004 0.896,1005 0.93,1006 0.93,1007 4.997,1008 1.266,1009 5.844,1010 4.397,1011 4.419,1012 5.091,1013 2.228,1014 6.737,1015 4.347,1016 6.28,1017 1.084,1018 7.475,1019 3.453,1020 4.29,1021 5.231,1023 8.044,1024 4.15,1025 7.652,1026 0.829,1027 9.223,1028 2.886,1029 6.146,1030 7.492,1031 3.563,1032 11.121,1033 5.973,1034 9.067,1035 0.481,1036 11.045,1037 1.874,1038 6.825,1039 8.453,1041 13.279,1042 6.556,1043 10.519,1044 0.228,1045 12.917,1046 0.892,1047 8.237,1048 10.241,1049 4.962,1050 15.999,1051 7.924,1052 11.997,1053 0.085,1054 14.826,1055 0.435,1056 9.25,1057 11.543,1059 18.455,1060 8.832,1061 13.497,1062 -0.586,1063 16.763,1064 0.185,1065 10.528,1066 13.172,1067 6.378,1068 21.089,1069 10.049,1070 3.533,1071 -0.751,1072 18.721,1073 -1.265,1074 11.676,1075 14.617,1077 23.646,1078 11.097,1079 3.091,1080 13.726,1081 20.697,1082 -2.09,1083 12.919,1084 16.191,1085 7.797,1086 26.262,1087 12.265,1088 2.58,1089 10.36,1090 22.685,1091 4.799,1092 14.123,1093 17.696,1095 28.855,1096 13.373,1097 2.356,1098 7.797,1099 24.684,1100 4.519,1101 15.361,1102 19.252,1103 9.217,1104 31.469,1105 14.528,1106 2.059,1107 6.731,1108 26.691,1109 3.58,1110 16.588,1111 20.782,1113 34.076,1114 15.663,1115 1.961,1116 5.933,1117 28.704,1118 3.274,1119 17.83,1120 22.334,1121 10.638,1122 36.69,1123 16.818,1124 1.613,1125 5.616,1126 30.723,1127 2.796,1128 19.069,1129 23.876,1131 39.304,1132 17.967,1133 7469,1134 13371,1135 17.8,1136 30.154,1137 44.148,1138 46.429,1139 44.882,1140 42.332,1141 42.331,1142 59.565,1143 4.069,1144 128.568,1145 40.874,1146 5.757,1147 6.741,1148 7.247,1149 5.516,1150 5.533,1151 7.799,1152 4.069,1153 21.868,1154 5.252,1155 15.616,1156 1.577,1157 1.658,1158 1.603,1159 1.512,1160 1.512,1161 2.127,1162 0.145,1163 4.592,1164 1.46,1165 4.139,1166 4.175,1167 4.741,1168 4.087,1169 7.715,1170 4.027,1171 4.067,1172 4.061,1173 4.088,1174 3.97,1175 6.999,1176 3.971,1177 3.712,1178 3.732,1179 3.755,1180 3.616,1181 6.82,1182 3.554,1183 3.498,1184 3.529,1185 3.475,1186 3.394,1187 5.071,1188 3.396,1189 3.294,1190 3.376,1191 3.194,1192 3.149,1193 4.699,1194 3.127,1195 3.205,1196 3.254,1197 3.094,1198 2.969,1199 4.583,1200 2.99,1201 3.06,1202 3.142,1203 2.918,1204 2.861,1205 4.219,1206 2.849,1207 2.869,1208 2.985,1209 2.69,1210 2.66,1211 3.987,1212 2.622,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.958,1219 0.171,1220 4.741,1221 0.073,1222 7.697,1223 0.49,1224 4.461,1225 0.116,1226 3.533,1227 4.799,1228 2.035,1229 13.726,1230 3.252,1231 1.993,1232 1.996,1233 2.045,1234 2.068,1235 1.255,1236 2.093,1237 1.921,1238 1.889,1239 1.991,1240 2.047,1241 1.107,1242 2.037,1243 1.6,1244 1.583,1245 1.689,1246 1.806,1247 0.825,1248 1.813,1249 1.448,1250 1.429,1251 1.654,1252 1.604,1253 0.73,1254 1.615,1255 1.317,1256 1.243,1257 1.562,1258 1.523,1259 0.631,1260 1.566,1261 1.148,1262 1.087,1263 1.355,1264 1.386,1265 0.474,1266 1.375,1267 1.072,1268 1.002,1269 1.211,1270 1.312,1271 0.352,1272 1.337,1273 0.919,1274 0.809,1275 1.129,1276 1.18,1277 0.132,1278 1.238,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.585,1286 6.823,1287 10.268,1289 4.978,1300 0.937,1303 9.024,1304 2.066,1305 28.885,1306 75.174,1307 163.19,1308 195.455,1309 209.065,1310 217.065,1311 217.065,1312 55.796,1313 7.088,1314 90.83,1315 99.21,1316 17,1317 12.565,1318 4.392,1319 3.807,1320 44.414,1321 99,1322 93,1323 0.224,1324 185.073,1325 314.87,1326 443.339,1327 11029,1329 18.897,1330 0.727,1331 0.592,1332 19.147,1333 15.396,1334 12.324,1335 0.44,1336 0.33,1337 7.814,1338 11.055,1339 7.372,1340 6.211,1341 13.112,1342 9.244,1343 11.65,1344 0.284,1345 0.191,1346 12.993,1347 7.828,1348 9.902,1349 0.183,1350 0.107,1351 11.288,1352 5.795,1353 7.437,1354 0.113,1355 0.057,1356 8.508,1357 3.767,1358 5.975,1359 0.076,1360 0.032,1361 6.808,1362 2.556,1363 0.35,1364 85.303,1365 0.237,1366 24.997,1367 0.614,1368 138,1369 444.557,1370 191.383,1371 458.297,1372 621.3,1373 420,1374 164,1375 436.254,1376 226.168,1377 482.082,1378 695.19,1379 448,1380 7}
{0 CHEMBL1928718,1 1.912,2 10.346,3 3.431,4 11.774,5 97.213,6 9.286,7 0.571,8 3.817,9 3.909,10 3.723,11 3.413,12 5.075,13 3.395,14 4.314,15 4.454,16 4.04,17 3.765,18 5.749,19 3.754,20 4.503,21 4.639,22 4.112,23 3.907,24 5.944,25 3.869,26 4.627,27 4.793,28 4.024,29 3.84,30 6.025,31 3.799,32 4.558,33 4.758,34 3.89,35 3.664,36 6.137,37 3.641,38 4.369,39 4.558,40 3.769,41 3.585,42 5.783,43 3.539,44 4.396,45 4.635,46 3.619,47 3.51,48 5.753,49 3.443,50 4.106,51 4.288,52 3.542,53 3.464,54 5.367,55 3.401,56 0.154,57 0.724,58 7.286,59 3.717,60 20.754,61 3.6,62 0.436,63 1.107,64 12.383,65 5.543,66 55.108,67 5.844,68 0.483,69 1.332,70 18.485,71 7.701,72 58.554,73 7.08,74 0.673,75 1.355,76 25.264,77 8.827,78 109.79,79 7.98,80 0.971,81 1.202,82 21.864,83 7.23,84 159.779,85 7.456,86 0.531,87 1.135,88 16.594,89 6.029,90 70.373,91 6.255,92 0.698,93 1.006,94 20.715,95 6.54,96 89.702,97 7.434,98 0.321,99 0.795,100 13.2,101 5.591,102 49.993,103 6.149,104 38,105 41,106 0.331,107 0.691,108 0.821,109 0.871,110 0.871,111 0.871,112 3.304,113 0.957,114 -3.39,115 -3.37,116 -3.22,119 42.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 2,172 5,174 3,175 6,183 6,186 2,187 12,195 4,198 2,199 10,207 1,211 3,212 10,223 1,224 3,232 2,236 5,237 3,245 2,249 1,250 6,258 3,263 6,271 4,275 930,276 17.004,277 17.004,278 17.004,279 17.004,280 17.004,281 14.584,282 10.914,283 9.629,284 17.331,285 13.678,286 13.678,287 13.678,288 13.678,289 13.678,290 9.804,291 5.876,292 4.435,293 14.278,294 3.41,295 1.328,296 0.578,297 0.288,298 0.288,299 0.288,300 3.977,303 1,304 1,305 1,306 568,307 3.937,310 61.14,311 165.675,314 112.988,318 1.45,319 43.441,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58,331 269,332 4.958,333 4.741,334 7.697,335 4.46,336 3.533,337 4.799,338 2.035,339 13.726,340 3.25,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,348 10.36,349 2.99,350 3.993,351 3.097,352 5.928,353 3.557,354 2.58,355 3.58,357 7.797,358 2.521,359 3.892,360 2.907,361 5.292,362 3.347,363 2.356,364 3.274,366 6.731,367 2.335,368 3.479,369 2.539,370 5.097,371 2.999,372 2.059,373 2.796,375 5.933,376 1.918,377 3.377,378 2.362,379 4.941,380 2.923,381 1.961,382 2.672,384 5.616,385 1.875,386 3.024,387 2.19,388 4.684,389 2.57,390 1.613,391 2.115,393 4.397,394 1.533,395 3.007,396 1.887,397 4.156,398 2.234,399 1.266,400 1.832,402 3.453,403 1.223,404 2.693,405 1.373,406 3.881,407 2.069,408 1.084,409 1.646,411 2.886,412 1.066,413 2.611,414 1.173,415 3.32,416 1.792,417 0.829,418 1.249,420 1.874,421 0.796,422 2.197,423 0.93,424 3.111,425 1.417,426 0.481,427 0.834,428 0.892,429 0.449,430 1.854,431 0.675,432 2.804,433 1.17,434 0.228,435 0.361,436 0.435,437 0.214,438 1.37,439 0.606,440 2.747,441 1.023,442 0.085,443 0.104,445 0.185,446 0.078,447 1,448 0.124,449 2.367,450 0.376,451 -0.586,452 -0.806,454 -1.265,455 -0.563,456 0.928,457 -0.03,458 2.35,459 0.184,460 -0.751,461 -0.955,463 -2.09,464 -0.662,465 12.286,466 0.473,467 0.848,468 0.033,469 37.75,470 1.452,471 21.5,472 0.827,473 16.25,474 0.625,475 17.97,476 0.691,477 27.314,478 0.683,479 30.132,480 1.159,481 7.496,482 0.288,483 4.828,484 0.186,485 0.191,486 0.068,487 0.309,491 1,493 0.447,494 1.092,495 0.736,496 1.23,497 0.576,498 0.911,499 0.674,500 1.005,501 0.694,502 0.822,503 0.557,504 0.733,505 1.046,506 1.173,507 1.314,508 1.268,509 0.882,510 1.072,511 1.296,512 1.107,513 1.42,514 1.341,515 1.345,516 1.191,517 1.165,518 0.792,519 0.956,520 0.761,521 1.198,522 0.871,523 1.176,524 1.177,525 1.133,526 1.155,527 1.087,528 1.167,529 1.054,530 0.702,531 0.975,532 0.704,533 1.053,534 0.819,535 0.85,536 0.83,537 0.888,538 0.944,539 0.859,540 0.919,541 7,542 0.123,543 4.444,544 2.417,545 1.764,546 0.92,547 0.584,548 0.41,549 0.319,550 0.235,551 7589,552 27721,553 1.983,554 35,555 3,556 8,557 1,558 2,564 1.69,565 1.803,566 3.346,567 -0.646,569 1,573 76.478,574 1.912,575 3.994,576 4.744,577 5.034,578 5.034,579 5.034,580 2.705,581 4.287,582 4.677,583 3.498,584 1136.81,585 8.098,586 14187.9,587 1,588 1,590 1,591 212.877,592 1.717,593 4.592,594 0.25,595 0.006,596 0.108,597 0.056,598 0.048,599 0.028,600 0.021,601 0.016,602 0.013,603 0.009,604 0.556,605 0.33,606 1,607 0.85,608 127.063,609 0.135,610 -0.066,611 0.21,612 -0.135,613 -0.078,614 -0.026,615 0.117,616 -0.034,617 0.182,618 0.139,619 0.133,620 0.161,621 -0.124,622 -0.108,623 -0.221,624 -0.154,625 -0.017,626 -0.157,627 -0.229,628 -0.197,629 -0.274,630 -0.259,631 -0.222,632 -0.234,633 0.073,634 0.114,635 0.022,636 0.149,637 0.055,638 0.086,639 -0.126,640 -0.106,641 -0.131,642 -0.174,643 -0.098,644 -0.215,645 0.013,646 0.227,647 0.077,648 0.248,649 -0.033,650 0.219,651 -0.024,652 0.04,653 0.092,654 0.087,655 -0.033,656 0.133,657 4.912,658 5.61,659 0.577,660 20.272,661 1.029,662 1.131,663 2.156,664 4.648,665 0.708,666 3.367,667 3.738,668 4.007,669 4.205,670 4.382,671 4.357,672 4.394,673 4.443,674 4.382,675 4.382,676 6.215,677 0.694,678 371.43,679 3.367,680 4.934,681 5.796,682 6.691,683 7.573,684 8.469,685 9.357,686 10.253,687 11.143,688 12.039,689 12.5,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,730 1,731 40,733 20,734 1,735 28,737 42,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 3,769 1,771 2,773 1,774 1,777 1,778 1,779 1,781 14,782 7,784 9,785 1,790 5,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,846 1,848 26,852 1,859 1,861 1,866 1,868 1,869 1,870 5,873 2,877 14.417,878 8.06,879 5.667,880 2.156,881 3.803,882 1.537,883 0.989,884 4.671,885 10.892,886 3.738,887 4.404,888 5.016,889 5.587,890 6.099,891 6.418,892 6.797,893 7.088,894 7.239,895 7.511,896 0.857,897 43,898 9.889,900 4.588,901 8.247,902 17.482,904 14.217,905 2.747,906 71.417,909 1,910 164.795,911 136.527,912 66.945,914 44.313,915 14.96,916 5.807,917 130.719,918 209.108,919 81.905,920 17.222,922 62.236,923 110.167,924 79.558,925 28.875,926 129.482,928 164.795,929 197.665,930 59.273,931 5.807,933 179.756,934 44.313,937 68.155,938 103.799,939 31.518,941 179.756,942 111.258,943 136.527,945 5.807,946 164.795,947 22.373,948 94.305,949 16.602,950 123.658,951 164.795,952 126.218,953 136.527,955 0.598,956 0.36,957 0.178,958 0.097,959 20,960 10,961 0.095,962 4,963 1,964 1.133,965 3.657,966 217.194,967 0.133,968 15,969 120.211,973 1,974 17.912,975 6.78,976 3.428,977 0.612,978 125.054,979 9.933,980 4.117,984 0.62,987 427.541,988 41,991 -3.996,993 25.221,995 1.329,996 3.953,999 41.171,1000 45.246,1001 0.359,1002 0.75,1003 0.891,1004 0.946,1005 0.946,1006 0.946,1007 4.997,1008 1.266,1009 5.844,1010 4.397,1011 4.419,1012 5.091,1013 2.228,1014 6.737,1015 4.331,1016 6.28,1017 1.084,1018 7.475,1019 3.453,1020 4.29,1021 5.231,1023 8.044,1024 4.122,1025 7.652,1026 0.829,1027 9.223,1028 2.886,1029 6.146,1030 7.492,1031 3.563,1032 11.121,1033 5.95,1034 9.067,1035 0.481,1036 11.045,1037 1.874,1038 6.825,1039 8.453,1041 13.279,1042 6.528,1043 10.519,1044 0.228,1045 12.917,1046 0.892,1047 8.237,1048 10.241,1049 4.962,1050 15.999,1051 7.9,1052 11.997,1053 0.085,1054 14.826,1055 0.435,1056 9.25,1057 11.543,1059 18.455,1060 8.808,1061 13.497,1062 -0.586,1063 16.763,1064 0.185,1065 10.528,1066 13.172,1067 6.378,1068 21.089,1069 10.028,1070 3.533,1071 -0.751,1072 18.721,1073 -1.265,1074 11.676,1075 14.617,1077 23.646,1078 11.077,1079 3.091,1080 13.726,1081 20.697,1082 -2.09,1083 12.919,1084 16.191,1085 7.797,1086 26.262,1087 12.247,1088 2.58,1089 10.36,1090 22.685,1091 4.799,1092 14.123,1093 17.696,1095 28.855,1096 13.355,1097 2.356,1098 7.797,1099 24.684,1100 4.519,1101 15.361,1102 19.252,1103 9.217,1104 31.469,1105 14.512,1106 2.059,1107 6.731,1108 26.691,1109 3.58,1110 16.588,1111 20.782,1113 34.076,1114 15.648,1115 1.961,1116 5.933,1117 28.704,1118 3.274,1119 17.83,1120 22.334,1121 10.638,1122 36.69,1123 16.803,1124 1.613,1125 5.616,1126 30.723,1127 2.796,1128 19.069,1129 23.876,1131 39.304,1132 17.952,1133 7469,1134 14433,1135 17.8,1136 28.33,1137 44.148,1138 46.686,1139 44.882,1140 42.356,1141 42.331,1142 59.565,1143 4.069,1144 128.568,1145 40.495,1146 5.757,1147 6.741,1148 7.247,1149 5.517,1150 5.533,1151 7.799,1152 4.069,1153 21.868,1154 5.25,1155 15.616,1156 1.577,1157 1.667,1158 1.603,1159 1.513,1160 1.512,1161 2.127,1162 0.145,1163 4.592,1164 1.446,1165 4.137,1166 4.175,1167 4.741,1168 4.078,1169 8.201,1170 4.022,1171 4.064,1172 4.055,1173 4.088,1174 3.969,1175 7.715,1176 3.965,1177 3.694,1178 3.717,1179 3.752,1180 3.581,1181 6.999,1182 3.53,1183 3.495,1184 3.526,1185 3.475,1186 3.392,1187 6.82,1188 3.392,1189 3.217,1190 3.275,1191 3.192,1192 3.021,1193 5.071,1194 3.015,1195 3.187,1196 3.253,1197 3.04,1198 2.969,1199 4.612,1200 2.987,1201 3.06,1202 3.141,1203 2.918,1204 2.861,1205 4.562,1206 2.848,1207 2.829,1208 2.922,1209 2.69,1210 2.608,1211 4.219,1212 2.602,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.958,1219 0.171,1220 4.741,1221 0.073,1222 7.697,1223 0.49,1224 4.46,1225 0.116,1226 3.533,1227 4.799,1228 2.035,1229 13.726,1230 3.25,1231 1.973,1232 1.981,1233 1.999,1234 2.066,1235 1.218,1236 2.079,1237 1.92,1238 1.889,1239 1.99,1240 2.039,1241 1.107,1242 2.036,1243 1.584,1244 1.56,1245 1.685,1246 1.795,1247 0.785,1248 1.795,1249 1.43,1250 1.418,1251 1.562,1252 1.595,1253 0.631,1254 1.602,1255 1.193,1256 1.117,1257 1.519,1258 1.421,1259 0.576,1260 1.457,1261 1.148,1262 1.087,1263 1.211,1264 1.385,1265 0.41,1266 1.361,1267 1.069,1268 1.002,1269 1.133,1270 1.303,1271 0.133,1272 1.337,1273 0.779,1274 0.712,1275 1.05,1276 1.041,1277 0.065,1278 1.032,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.585,1286 6.823,1287 10.268,1289 2.848,1291 13.437,1300 0.77,1303 8.993,1304 2.031,1305 27.741,1306 76.478,1307 159.758,1308 189.758,1309 201.367,1310 201.367,1311 201.367,1312 64.694,1313 7.088,1314 90.83,1315 99.21,1316 17,1317 12.565,1318 4.392,1319 3.807,1320 44.414,1321 99,1322 93,1323 0.224,1324 176.679,1325 303.64,1326 422.857,1327 11029,1328 2.5,1329 18.897,1330 0.727,1331 0.568,1332 18.277,1333 14.774,1334 12.324,1335 0.44,1336 0.319,1337 7.478,1338 10.937,1339 7.128,1340 5.953,1341 12.719,1342 8.933,1343 11.65,1344 0.284,1345 0.182,1346 12.359,1347 7.469,1348 9.902,1349 0.183,1350 0.104,1351 10.955,1352 5.601,1353 7.437,1354 0.113,1355 0.054,1356 8.345,1357 3.561,1358 5.975,1359 0.076,1360 0.029,1361 6.145,1362 2.268,1363 0.35,1364 86.169,1365 0.237,1366 24.997,1367 0.614,1368 138,1369 530.668,1370 195.214,1371 511.533,1372 680.1,1373 468,1374 164,1375 469.587,1376 229.078,1377 506.875,1378 732.33,1379 472,1380 7.26}
{0 CHEMBL1928719,1 1.912,2 10.346,3 3.89,4 15.134,5 101.801,6 9.697,7 0.571,8 3.813,9 3.901,10 3.755,11 3.443,12 5.033,13 3.41,14 4.309,15 4.445,16 4.087,17 3.807,18 5.698,19 3.775,20 4.494,21 4.622,22 4.16,23 3.956,24 5.884,25 3.893,26 4.621,27 4.783,28 4.112,29 3.898,30 5.991,31 3.823,32 4.548,33 4.742,34 4.016,35 3.722,36 5.973,37 3.678,38 4.357,39 4.533,40 3.843,41 3.654,42 5.682,43 3.571,44 4.387,45 4.617,46 3.664,47 3.567,48 5.689,49 3.468,50 4.1,51 4.276,52 3.584,53 3.503,54 5.318,55 3.419,56 0.14,57 0.645,58 6.575,59 3.584,60 15.5,61 3.526,62 0.403,63 0.985,64 11.85,65 5.504,66 46.945,67 5.843,68 0.406,69 1.159,70 19.696,71 7.735,72 38.381,73 7.316,74 0.595,75 1.226,76 28.011,77 9.176,78 83.694,79 8.171,80 0.791,81 1.073,82 23.444,83 7.635,84 107.818,85 7.458,86 0.419,87 0.953,88 19.324,89 6.315,90 45.069,91 6.661,92 0.614,93 0.912,94 23.779,95 6.965,96 66.745,97 7.95,98 0.268,99 0.71,100 14.079,101 5.646,102 34.954,103 6.32,104 38,105 41,106 0.331,107 0.691,108 0.821,109 0.871,110 0.871,111 0.871,112 3.304,113 0.998,114 -3.5,115 -3.48,116 -3.32,119 42.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 2,172 5,174 3,175 6,183 8,186 2,187 12,195 5,198 2,199 10,207 2,211 3,212 13,220 1,223 1,224 4,232 2,236 5,237 3,245 2,249 1,250 6,258 4,263 6,271 4,275 930,276 17.004,277 17.004,278 17.004,279 17.004,280 17.004,281 14.584,282 10.888,283 9.629,284 17.405,285 13.678,286 13.678,287 13.678,288 13.678,289 13.678,290 9.804,291 5.848,292 4.435,293 14.425,294 3.41,295 1.328,296 0.578,297 0.288,298 0.288,299 0.288,300 3.977,301 1,303 1,304 1,305 1,306 568,307 3.937,310 61.14,311 165.675,314 112.988,318 1.45,319 36.881,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56.833,331 269,332 4.958,333 4.741,334 7.697,335 4.46,336 3.533,337 4.799,338 2.035,339 13.726,340 3.247,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,348 10.36,349 2.99,350 3.993,351 3.097,352 5.928,353 3.544,354 2.58,355 3.58,357 7.797,358 2.488,359 3.892,360 2.927,361 5.292,362 3.347,363 2.356,364 3.274,366 6.731,367 2.334,368 3.479,369 2.545,370 5.097,371 2.965,372 2.059,373 2.796,375 5.933,376 1.893,377 3.377,378 2.363,379 4.941,380 2.909,381 1.961,382 2.672,384 5.616,385 1.728,386 3.024,387 2.19,388 4.684,389 2.57,390 1.613,391 2.115,393 4.397,394 1.532,395 3.007,396 1.887,397 4.156,398 2.234,399 1.266,400 1.832,402 3.453,403 1.223,404 2.693,405 1.373,406 3.881,407 2.069,408 1.084,409 1.646,411 2.886,412 1.066,413 2.611,414 1.173,415 3.32,416 1.792,417 0.829,418 1.249,420 1.874,421 0.796,422 2.197,423 0.93,424 3.111,425 1.417,426 0.481,427 0.834,428 0.892,429 0.449,430 1.854,431 0.682,432 2.804,433 1.169,434 0.228,435 0.361,436 0.435,437 0.213,438 1.37,439 0.609,440 2.747,441 0.981,442 0.085,443 0.104,445 0.185,446 0.066,447 1,448 0.13,449 2.367,450 0.376,451 -0.586,452 -0.806,454 -1.265,455 -0.552,456 0.928,457 -0.03,458 2.35,459 0.169,460 -0.751,461 -0.955,463 -2.09,464 -0.565,465 12.714,466 0.489,467 0.848,468 0.033,469 37.75,470 1.452,471 21.5,472 0.827,473 16.25,474 0.625,475 18.811,476 0.724,477 26.886,478 0.672,479 29.29,480 1.127,481 7.365,482 0.283,483 4.959,484 0.191,485 0.219,486 0.066,487 0.299,493 0.431,494 1.209,495 0.657,496 1.155,497 0.598,498 0.869,499 0.692,500 1.043,501 0.645,502 0.747,503 0.55,504 0.695,505 1.031,506 1.217,507 1.263,508 1.272,509 0.807,510 1.08,511 1.477,512 1.187,513 1.187,514 1.245,515 1.549,516 1.158,517 1.378,518 0.824,519 0.882,520 0.798,521 1.493,522 0.855,523 1.097,524 1.234,525 1.246,526 1.255,527 0.944,528 1.221,529 1,530 0.642,531 1.065,532 0.794,533 0.987,534 0.875,535 0.869,536 0.859,537 0.864,538 0.945,539 0.879,540 0.919,541 7,542 0.123,543 4.444,544 2.417,545 1.764,546 0.92,547 0.584,548 0.41,549 0.319,550 0.235,551 7589,552 27721,553 1.983,554 35,555 3,556 8,557 1,558 2,564 1.69,565 1.803,566 3.346,567 -0.646,569 1,573 76.478,574 1.912,575 3.994,576 4.744,577 5.034,578 5.034,579 5.034,580 2.705,581 4.287,582 4.677,583 3.498,584 1136.81,585 8.098,586 14187.9,588 1,590 1,591 212.877,592 1.717,593 4.592,594 0.25,595 0.006,596 0.108,597 0.056,598 0.048,599 0.028,600 0.021,601 0.016,602 0.013,603 0.009,604 0.556,605 0.33,606 1,607 0.85,608 127.063,609 0.184,610 -0.07,611 0.148,612 -0.136,613 -0.096,614 -0.026,615 0.167,616 0.033,617 0.144,618 0.179,619 0.177,620 0.175,621 -0.106,622 -0.138,623 -0.228,624 -0.193,625 0.036,626 -0.178,627 -0.273,628 -0.183,629 -0.17,630 -0.173,631 -0.238,632 -0.213,633 -0.035,634 0.113,635 0.084,636 0.136,637 -0.109,638 0.109,639 -0.124,640 -0.243,641 -0.17,642 -0.269,643 -0.072,644 -0.259,645 0.078,646 0.291,647 -0.006,648 0.189,649 0.026,650 0.175,651 -0.009,652 0.051,653 0.049,654 0.07,655 -0.014,656 0.119,657 4.757,658 5.718,659 0.577,660 20.272,661 1.025,662 1.121,663 2.274,664 5.172,665 0.731,666 3.367,667 3.738,668 4.007,669 4.205,670 4.382,671 4.357,672 4.394,673 4.443,674 4.382,675 4.382,676 6.215,677 0.705,678 387.88,679 3.367,680 4.934,681 5.796,682 6.691,683 7.573,684 8.469,685 9.357,686 10.253,687 11.143,688 12.039,689 12.5,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,730 1,731 40,733 20,734 1,735 28,737 42,738 17,739 13,740 3,741 3,742 1,746 3,747 4,748 1,752 1,760 1,761 14,762 2,766 3,769 1,771 2,773 1,774 1,778 1,781 14,782 6,784 9,785 2,790 5,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,845 1,848 26,852 1,859 1,861 1,866 1,868 1,869 1,870 5,873 2,877 14.417,878 8.06,879 5.667,880 2.156,881 3.803,882 1.537,883 0.987,884 4.907,885 10.892,886 3.738,887 4.404,888 5.016,889 5.587,890 6.099,891 6.418,892 6.797,893 7.088,894 7.239,895 7.511,896 0.857,897 43,898 9.809,900 4.459,901 8.097,902 17.622,904 14.325,905 2.597,906 67.528,909 1,910 164.795,911 130.906,912 66.945,913 39.149,914 44.313,916 5.807,917 125.099,918 248.257,919 66.945,920 17.222,922 62.236,923 110.167,924 73.938,925 13.915,926 129.482,927 39.149,928 164.795,929 192.044,930 44.313,931 44.956,933 164.795,934 44.313,937 68.155,938 98.179,939 70.667,941 164.795,942 111.258,943 170.055,945 5.807,946 164.795,947 16.752,948 94.305,949 16.602,950 147.847,951 164.795,952 111.258,953 170.055,955 0.598,956 0.36,957 0.178,958 0.097,959 20,960 10,961 0.095,962 4,963 1,964 1.133,965 3.657,966 217.194,967 0.133,968 15,969 120.211,973 1,974 18.252,975 6.99,976 3.556,977 0.65,978 110.094,979 11.161,980 4.149,984 2.065,987 446.109,988 41,991 -3.84,993 25.437,995 1.39,996 4.032,999 40.982,1000 44.85,1001 0.359,1002 0.75,1003 0.891,1004 0.946,1005 0.946,1006 0.946,1007 4.997,1008 1.266,1009 5.844,1010 4.397,1011 4.419,1012 5.091,1013 2.228,1014 6.737,1015 4.315,1016 6.28,1017 1.084,1018 7.475,1019 3.453,1020 4.29,1021 5.231,1023 8.044,1024 4.092,1025 7.652,1026 0.829,1027 9.223,1028 2.886,1029 6.146,1030 7.492,1031 3.563,1032 11.121,1033 5.93,1034 9.067,1035 0.481,1036 11.045,1037 1.874,1038 6.825,1039 8.453,1041 13.279,1042 6.505,1043 10.519,1044 0.228,1045 12.917,1046 0.892,1047 8.237,1048 10.241,1049 4.962,1050 15.999,1051 7.883,1052 11.997,1053 0.085,1054 14.826,1055 0.435,1056 9.25,1057 11.543,1059 18.455,1060 8.791,1061 13.497,1062 -0.586,1063 16.763,1064 0.185,1065 10.528,1066 13.172,1067 6.378,1068 21.089,1069 10.014,1070 3.533,1071 -0.751,1072 18.721,1073 -1.265,1074 11.676,1075 14.617,1077 23.646,1078 11.063,1079 3.091,1080 13.726,1081 20.697,1082 -2.09,1083 12.919,1084 16.191,1085 7.797,1086 26.262,1087 12.234,1088 2.58,1089 10.36,1090 22.685,1091 4.799,1092 14.123,1093 17.696,1095 28.855,1096 13.344,1097 2.356,1098 7.797,1099 24.684,1100 4.519,1101 15.361,1102 19.252,1103 9.217,1104 31.469,1105 14.501,1106 2.059,1107 6.731,1108 26.691,1109 3.58,1110 16.588,1111 20.782,1113 34.076,1114 15.637,1115 1.961,1116 5.933,1117 28.704,1118 3.274,1119 17.83,1120 22.334,1121 10.638,1122 36.69,1123 16.792,1124 1.613,1125 5.616,1126 30.723,1127 2.796,1128 19.069,1129 23.876,1131 39.304,1132 17.941,1133 7469,1134 14433,1135 17.8,1136 29.25,1137 44.148,1138 46.713,1139 44.882,1140 42.424,1141 42.331,1142 59.565,1143 4.069,1144 128.568,1145 40.053,1146 5.757,1147 6.741,1148 7.247,1149 5.519,1150 5.533,1151 7.799,1152 4.069,1153 21.868,1154 5.247,1155 15.616,1156 1.577,1157 1.668,1158 1.603,1159 1.515,1160 1.512,1161 2.127,1162 0.145,1163 4.592,1164 1.43,1165 4.137,1166 4.174,1167 4.743,1168 4.083,1169 7.715,1170 4.023,1171 4.063,1172 4.051,1173 4.088,1174 3.97,1175 6.999,1176 3.967,1177 3.691,1178 3.711,1179 3.925,1180 3.596,1181 6.82,1182 3.536,1183 3.495,1184 3.525,1185 3.477,1186 3.393,1187 5.072,1188 3.393,1189 3.214,1190 3.26,1191 3.337,1192 3.059,1193 4.917,1194 3.034,1195 3.179,1196 3.251,1197 3.187,1198 2.969,1199 4.588,1200 2.989,1201 3.06,1202 3.141,1203 2.918,1204 2.861,1205 4.317,1206 2.849,1207 2.829,1208 2.922,1209 2.69,1210 2.608,1211 4.218,1212 2.602,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.958,1219 0.171,1220 4.741,1221 0.073,1222 7.697,1223 0.49,1224 4.46,1225 0.116,1226 3.533,1227 4.799,1228 2.035,1229 13.726,1230 3.247,1231 1.974,1232 1.984,1233 1.994,1234 2.064,1235 1.224,1236 2.075,1237 1.92,1238 1.889,1239 1.987,1240 2.029,1241 1.107,1242 2.035,1243 1.585,1244 1.563,1245 1.685,1246 1.79,1247 0.787,1248 1.792,1249 1.43,1250 1.419,1251 1.562,1252 1.593,1253 0.631,1254 1.601,1255 1.198,1256 1.129,1257 1.509,1258 1.396,1259 0.586,1260 1.448,1261 1.148,1262 1.087,1263 1.211,1264 1.384,1265 0.413,1266 1.359,1267 1.069,1268 1.002,1269 1.133,1270 1.3,1271 0.133,1272 1.337,1273 0.779,1274 0.712,1275 1.05,1276 1.041,1277 0.065,1278 1.032,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.585,1286 6.823,1287 10.268,1289 3.036,1290 5.921,1300 0.878,1303 9.013,1304 2.054,1305 28.185,1306 76.478,1307 159.758,1308 189.758,1309 201.367,1310 201.367,1311 201.367,1312 57.715,1313 7.088,1314 90.83,1315 99.21,1316 17,1317 12.565,1318 4.392,1319 3.807,1320 44.414,1321 99,1322 93,1323 0.224,1324 183.814,1325 312.78,1326 440.266,1327 11029,1328 2.5,1329 18.897,1330 0.727,1331 0.597,1332 19.647,1333 15.53,1334 12.324,1335 0.44,1336 0.333,1337 7.533,1338 10.746,1339 7.128,1340 5.953,1341 13.401,1342 9.311,1343 11.65,1344 0.284,1345 0.193,1346 13.401,1347 7.905,1348 9.902,1349 0.183,1350 0.108,1351 11.55,1352 5.837,1353 7.437,1354 0.113,1355 0.058,1356 8.748,1357 3.812,1358 5.975,1359 0.076,1360 0.033,1361 7.284,1362 2.618,1363 0.35,1364 88.478,1365 0.237,1366 24.997,1367 0.614,1368 138,1369 470.76,1370 206.902,1371 511.533,1372 680.1,1373 468,1374 164,1375 453.116,1376 235.926,1377 506.875,1378 732.33,1379 472,1380 7.886}
{0 CHEMBL1928720,1 1.912,2 10.346,3 3.974,4 15.794,5 104.619,6 10.808,7 0.571,8 3.811,9 3.899,10 3.838,11 3.459,12 5.018,13 3.416,14 4.307,15 4.442,16 4.204,17 3.829,18 5.68,19 3.784,20 4.49,21 4.618,22 4.278,23 3.982,24 5.863,25 3.903,26 4.619,27 4.78,28 4.317,29 3.928,30 5.978,31 3.833,32 4.544,33 4.738,34 4.296,35 3.752,36 5.908,37 3.693,38 4.351,39 4.527,40 4.019,41 3.688,42 5.644,43 3.586,44 4.383,45 4.612,46 3.776,47 3.596,48 5.666,49 3.479,50 4.097,51 4.273,52 3.69,53 3.524,54 5.3,55 3.427,56 0.134,57 0.643,58 4.351,59 3.615,60 13.956,61 3.503,62 0.388,63 0.989,64 9.763,65 5.696,66 44.601,67 5.863,68 0.369,69 1.172,70 23.051,71 8.266,72 32.174,73 7.483,74 0.557,75 1.249,76 34.87,77 9.993,78 75.204,79 8.303,80 0.7,81 1.103,82 25.917,83 8.262,84 89.762,85 7.465,86 0.365,87 0.979,88 27.089,89 7.08,90 36.869,91 6.913,92 0.575,93 0.94,94 33.09,95 7.771,96 59.594,97 8.254,98 0.244,99 0.717,100 16.597,101 5.936,102 30.19,103 6.428,104 38,105 41,106 0.331,107 0.691,108 0.821,109 0.871,110 0.871,111 0.871,112 3.304,113 1.042,114 -3.62,115 -3.59,116 -3.42,117 1,119 42.5,120 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 2,172 5,174 3,175 6,183 8,186 2,187 12,195 5,198 2,199 10,207 2,211 3,212 13,220 1,223 1,224 4,232 2,236 5,237 3,245 2,249 1,250 6,258 4,263 6,271 4,275 930,276 17.004,277 17.004,278 17.004,279 17.004,280 17.004,281 14.584,282 10.93,283 9.629,284 17.433,285 13.678,286 13.678,287 13.678,288 13.678,289 13.678,290 9.804,291 5.895,292 4.435,293 14.481,294 3.41,295 1.328,296 0.578,297 0.288,298 0.288,299 0.288,300 3.977,304 1,305 1,306 568,307 3.937,310 61.14,311 165.675,314 112.988,318 1.45,319 34.585,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56.25,331 269,332 4.958,333 4.741,334 7.697,335 4.46,336 3.533,337 4.799,338 2.035,339 13.726,340 3.247,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,348 10.36,349 2.99,350 3.993,351 3.097,352 5.928,353 3.541,354 2.58,355 3.58,357 7.797,358 2.48,359 3.892,360 2.896,361 5.292,362 3.347,363 2.356,364 3.274,366 6.731,367 2.334,368 3.479,369 2.536,370 5.097,371 2.958,372 2.059,373 2.796,375 5.933,376 1.893,377 3.377,378 2.361,379 4.941,380 2.901,381 1.961,382 2.672,384 5.616,385 1.661,386 3.024,387 2.19,388 4.684,389 2.57,390 1.613,391 2.115,393 4.397,394 1.532,395 3.007,396 1.887,397 4.156,398 2.234,399 1.266,400 1.832,402 3.453,403 1.223,404 2.693,405 1.373,406 3.881,407 2.069,408 1.084,409 1.646,411 2.886,412 1.066,413 2.611,414 1.173,415 3.32,416 1.792,417 0.829,418 1.249,420 1.874,421 0.796,422 2.197,423 0.93,424 3.111,425 1.417,426 0.481,427 0.834,428 0.892,429 0.449,430 1.854,431 0.671,432 2.804,433 1.169,434 0.228,435 0.361,436 0.435,437 0.213,438 1.37,439 0.603,440 2.747,441 0.969,442 0.085,443 0.104,445 0.185,446 0.059,447 1,448 0.12,449 2.367,450 0.376,451 -0.586,452 -0.806,454 -1.265,455 -0.497,456 0.928,457 -0.03,458 2.35,459 0.166,460 -0.751,461 -0.955,463 -2.09,464 -0.563,465 13.333,466 0.513,467 0.848,468 0.033,469 37.5,470 1.442,471 21.5,472 0.827,473 16,474 0.615,475 20.41,476 0.785,477 26.267,478 0.657,479 27.691,480 1.065,481 7.094,482 0.273,483 5.23,484 0.201,485 0.255,486 0.063,487 0.285,493 0.423,494 1.183,495 0.525,496 1.028,497 0.598,498 0.842,499 0.698,500 1.015,501 0.582,502 0.691,503 0.549,504 0.676,505 1.017,506 1.209,507 1.106,508 1.232,509 0.783,510 1.08,511 1.549,512 1.166,513 0.792,514 1.119,515 1.574,516 1.131,517 1.497,518 0.844,519 0.841,520 0.831,521 1.592,522 0.85,523 1.059,524 1.266,525 1.381,526 1.316,527 0.908,528 1.247,529 0.965,530 0.658,531 1.129,532 0.87,533 0.96,534 0.903,535 0.87,536 0.854,537 0.777,538 0.911,539 0.874,540 0.914,541 7,542 0.123,543 4.444,544 2.417,545 1.764,546 0.92,547 0.584,548 0.41,549 0.319,550 0.235,551 7589,552 27721,553 1.983,554 35,555 3,556 8,557 1,558 2,564 1.69,565 1.803,566 3.346,567 -0.646,569 1,573 76.478,574 1.912,575 3.994,576 4.744,577 5.034,578 5.034,579 5.034,580 2.705,581 4.287,582 4.677,583 3.498,584 1136.81,585 8.098,586 14187.9,588 1,590 1,591 212.877,592 1.717,593 4.592,594 0.25,595 0.006,596 0.108,597 0.056,598 0.048,599 0.028,600 0.021,601 0.016,602 0.013,603 0.009,604 0.556,605 0.33,606 1,607 0.85,608 127.063,609 0.207,610 -0.065,611 0.042,612 -0.117,613 -0.097,614 -0.025,615 0.192,616 0.052,617 0.057,618 0.171,619 0.184,620 0.176,621 -0.088,622 -0.139,623 -0.152,624 -0.187,625 0.057,626 -0.183,627 -0.287,628 -0.163,629 -0.026,630 -0.112,631 -0.227,632 -0.199,633 -0.11,634 0.1,635 0.09,636 0.108,637 -0.182,638 0.115,639 -0.117,640 -0.272,641 -0.151,642 -0.281,643 -0.057,644 -0.271,645 0.117,646 0.285,647 -0.079,648 0.132,649 0.051,650 0.152,651 0.001,652 0.049,653 -0.007,654 0.052,655 -0.004,656 0.11,657 4.702,658 5.756,659 0.577,660 20.272,661 1.022,662 1.119,663 2.391,664 5.717,665 0.744,666 3.367,667 3.738,668 4.007,669 4.205,670 4.382,671 4.357,672 4.394,673 4.443,674 4.382,675 4.382,676 6.215,677 0.71,678 432.33,679 3.367,680 4.934,681 5.796,682 6.691,683 7.573,684 8.469,685 9.357,686 10.253,687 11.143,688 12.039,689 12.5,692 1,697 1,698 2,699 1,703 1,704 7,705 1,709 5,711 16,713 1,730 1,731 40,733 20,734 1,735 28,736 1,737 42,738 17,739 13,740 3,741 3,742 1,746 3,747 4,752 1,760 1,761 14,762 2,766 3,769 1,771 2,773 1,774 1,778 1,781 14,782 6,784 9,785 2,790 5,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,842 1,843 1,844 2,848 26,852 1,859 1,861 1,866 1,868 1,869 1,870 5,873 2,877 14.417,878 8.06,879 5.667,880 2.156,881 3.803,882 1.537,883 0.992,884 5.04,885 10.892,886 3.738,887 4.404,888 5.016,889 5.587,890 6.099,891 6.418,892 6.797,893 7.088,894 7.239,895 7.511,896 0.857,897 43,898 9.804,900 4.426,901 8.045,902 17.732,904 14.41,905 2.545,906 66.167,909 1,910 164.795,911 130.461,912 112.899,914 44.313,916 5.807,917 170.608,918 209.108,919 66.945,920 17.222,922 62.236,923 110.167,924 73.492,925 13.915,926 129.482,927 45.954,928 164.795,929 191.599,930 44.313,931 5.807,932 45.954,933 164.795,934 44.313,937 68.155,938 97.733,939 31.518,940 45.954,941 164.795,942 111.258,943 176.415,945 5.807,946 164.795,947 16.307,948 94.305,949 62.556,950 108.698,951 164.795,952 111.258,953 176.415,955 0.598,956 0.36,957 0.178,958 0.097,959 20,960 10,961 0.095,962 4,963 1,964 1.133,965 3.657,966 217.194,967 0.133,968 15,969 120.211,973 1,974 18.441,975 7.107,976 3.628,977 0.664,978 110.094,979 11.591,980 4.16,984 2.572,987 452.469,988 41,991 -3.786,993 25.512,995 1.411,996 4.06,999 40.887,1000 44.748,1001 0.359,1002 0.75,1003 0.891,1004 0.946,1005 0.946,1006 0.946,1007 4.997,1008 1.266,1009 5.844,1010 4.397,1011 4.419,1012 5.091,1013 2.228,1014 6.737,1015 4.31,1016 6.28,1017 1.084,1018 7.475,1019 3.453,1020 4.29,1021 5.231,1023 8.044,1024 4.082,1025 7.652,1026 0.829,1027 9.223,1028 2.886,1029 6.146,1030 7.492,1031 3.563,1032 11.121,1033 5.925,1034 9.067,1035 0.481,1036 11.045,1037 1.874,1038 6.825,1039 8.453,1041 13.279,1042 6.498,1043 10.519,1044 0.228,1045 12.917,1046 0.892,1047 8.237,1048 10.241,1049 4.962,1050 15.999,1051 7.878,1052 11.997,1053 0.085,1054 14.826,1055 0.435,1056 9.25,1057 11.543,1059 18.455,1060 8.787,1061 13.497,1062 -0.586,1063 16.763,1064 0.185,1065 10.528,1066 13.172,1067 6.378,1068 21.089,1069 10.01,1070 3.533,1071 -0.751,1072 18.721,1073 -1.265,1074 11.676,1075 14.617,1077 23.646,1078 11.06,1079 3.091,1080 13.726,1081 20.697,1082 -2.09,1083 12.919,1084 16.191,1085 7.797,1086 26.262,1087 12.231,1088 2.58,1089 10.36,1090 22.685,1091 4.799,1092 14.123,1093 17.696,1095 28.855,1096 13.341,1097 2.356,1098 7.797,1099 24.684,1100 4.519,1101 15.361,1102 19.252,1103 9.217,1104 31.469,1105 14.498,1106 2.059,1107 6.731,1108 26.691,1109 3.58,1110 16.588,1111 20.782,1113 34.076,1114 15.634,1115 1.961,1116 5.933,1117 28.704,1118 3.274,1119 17.83,1120 22.334,1121 10.638,1122 36.69,1123 16.79,1124 1.613,1125 5.616,1126 30.723,1127 2.796,1128 19.069,1129 23.876,1131 39.304,1132 17.939,1133 7469,1134 14433,1135 17.8,1136 29.745,1137 44.148,1138 46.67,1139 44.882,1140 42.455,1141 42.331,1142 59.565,1143 4.069,1144 128.568,1145 39.885,1146 5.757,1147 6.741,1148 7.247,1149 5.521,1150 5.533,1151 7.799,1152 4.069,1153 21.868,1154 5.247,1155 15.616,1156 1.577,1157 1.667,1158 1.603,1159 1.516,1160 1.512,1161 2.127,1162 0.145,1163 4.592,1164 1.424,1165 4.137,1166 4.174,1167 6.88,1168 4.088,1169 7.715,1170 4.024,1171 4.062,1172 4.05,1173 4.739,1174 3.97,1175 6.999,1176 3.969,1177 3.689,1178 3.71,1179 4.088,1180 3.612,1181 6.82,1182 3.54,1183 3.495,1184 3.525,1185 3.637,1186 3.394,1187 5.071,1188 3.393,1189 3.214,1190 3.258,1191 3.473,1192 3.098,1193 4.703,1194 3.045,1195 3.176,1196 3.249,1197 3.19,1198 2.969,1199 4.583,1200 2.989,1201 3.06,1202 3.141,1203 2.918,1204 2.861,1205 4.219,1206 2.849,1207 2.829,1208 2.922,1209 2.843,1210 2.608,1211 3.94,1212 2.602,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.958,1219 0.171,1220 4.741,1221 0.073,1222 7.697,1223 0.49,1224 4.46,1225 0.116,1226 3.533,1227 4.799,1228 2.035,1229 13.726,1230 3.247,1231 1.975,1232 1.985,1233 1.993,1234 2.064,1235 1.229,1236 2.074,1237 1.92,1238 1.889,1239 1.98,1240 2.026,1241 1.107,1242 2.035,1243 1.585,1244 1.564,1245 1.685,1246 1.788,1247 0.788,1248 1.791,1249 1.43,1250 1.42,1251 1.562,1252 1.593,1253 0.631,1254 1.601,1255 1.2,1256 1.133,1257 1.499,1258 1.391,1259 0.597,1260 1.445,1261 1.148,1262 1.087,1263 1.211,1264 1.383,1265 0.417,1266 1.359,1267 1.069,1268 1.002,1269 1.132,1270 1.299,1271 0.133,1272 1.337,1273 0.779,1274 0.712,1275 1.05,1276 1.041,1277 0.066,1278 1.032,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.585,1286 6.823,1287 10.268,1288 3.29,1289 3.101,1300 0.916,1303 9.02,1304 2.062,1305 28.383,1306 76.478,1307 159.758,1308 189.758,1309 201.367,1310 201.367,1311 201.367,1312 56.135,1313 7.088,1314 90.83,1315 99.21,1316 17,1317 12.565,1318 4.392,1319 3.807,1320 44.414,1321 99,1322 93,1323 0.224,1324 187.395,1325 316.85,1326 449.003,1327 11029,1328 2.5,1329 18.897,1330 0.727,1331 0.629,1332 20.147,1333 16.36,1334 12.324,1335 0.44,1336 0.347,1337 7.552,1338 10.482,1339 7.128,1340 5.953,1341 13.69,1342 9.726,1343 11.65,1344 0.284,1345 0.205,1346 13.809,1347 8.385,1348 9.902,1349 0.183,1350 0.113,1351 11.813,1352 6.095,1353 7.437,1354 0.113,1355 0.062,1356 8.988,1357 4.088,1358 5.975,1359 0.076,1360 0.038,1361 7.759,1362 3.001,1363 0.35,1364 93.675,1365 0.237,1366 24.997,1367 0.614,1368 138,1369 463.211,1370 257.254,1371 511.533,1372 680.1,1373 468,1374 164,1375 449.987,1376 254.431,1377 506.875,1378 732.33,1379 472,1380 7.886}
{0 CHEMBL1928721,1 1.938,2 11,3 2.634,4 6.938,5 99.28,6 9.857,7 0.552,8 3.815,9 3.898,10 3.759,11 3.383,12 5.146,13 3.384,14 4.29,15 4.404,16 4.066,17 3.74,18 5.865,19 3.747,20 4.483,21 4.613,22 4.105,23 3.863,24 5.974,25 3.849,26 4.604,27 4.763,28 3.996,29 3.768,30 6.078,31 3.763,32 4.417,33 4.583,34 3.962,35 3.621,36 5.844,37 3.616,38 4.388,39 4.541,40 3.928,41 3.548,42 6.194,43 3.553,44 4.315,45 4.511,46 3.72,47 3.474,48 5.825,49 3.455,50 4.169,51 4.329,52 3.565,53 3.45,54 5.558,55 3.408,56 0.231,57 0.671,58 5.925,59 3.372,60 26.506,61 2.975,62 0.549,63 0.998,64 9.398,65 4.974,66 87.127,67 4.621,68 0.538,69 1.177,70 17.142,71 7.113,72 59.716,73 6.117,74 0.902,75 1.167,76 19.69,77 7.263,78 153.56,79 5.803,80 0.694,81 1.003,82 17.011,83 6.289,84 106.842,85 5.66,86 0.881,87 0.95,88 15.629,89 5.716,90 162.806,91 5.741,92 0.685,93 0.879,94 15.257,95 5.143,96 81.515,97 5.304,98 0.532,99 0.738,100 12.926,101 5.471,102 89.275,103 5.133,104 41,105 42,106 0.334,107 0.677,108 0.803,109 0.871,110 0.871,111 0.871,112 3.34,113 0.922,114 -2.9,115 -2.91,116 -2.81,119 41,124 1,142 6,143 2,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 4,174 4,175 8,183 5,186 2,187 17,195 2,198 2,199 10,207 1,211 6,212 11,223 8,224 3,232 2,236 7,237 3,245 1,249 1,250 7,258 3,263 6,271 3,275 1081,276 17.712,277 17.712,278 17.712,279 17.712,280 17.712,281 15.092,282 13.084,283 10.085,284 18.044,285 14.175,286 14.175,287 14.175,288 14.175,289 14.175,290 9.983,291 10.201,292 4.624,293 14.743,294 3.347,295 1.354,296 0.622,297 0.224,298 0.224,299 0.224,300 4.014,303 1,304 1,305 1,306 626,307 4.243,310 64.89,311 174.702,314 119.854,318 1.556,319 47.587,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 61,331 297,332 4.931,333 4.721,334 7.642,335 4.427,336 3.5,337 4.766,338 2.612,339 13.445,340 3.218,341 4.561,342 4.058,343 6.547,344 4.058,345 3.091,346 4.518,347 2.035,348 10.36,349 2.99,350 4.217,351 3.775,352 5.957,353 3.697,354 2.727,355 3.893,357 8.292,358 2.644,359 3.893,360 3.096,361 5.404,362 3.351,363 2.359,364 3.275,366 6.738,367 2.338,368 3.522,369 2.504,370 5.286,371 3.019,372 2.061,373 2.884,375 6.047,376 1.966,377 3.415,378 2.319,379 5.088,380 2.871,381 1.899,382 2.769,384 5.719,385 1.84,386 3.024,387 2.116,388 4.239,389 2.485,390 1.512,391 2.119,393 3.825,394 1.463,395 3.008,396 1.9,397 4.108,398 2.233,399 1.263,400 1.856,402 3.372,403 1.222,404 2.75,405 1.439,406 3.71,407 2.075,408 1.09,409 1.691,411 2.717,412 1.072,413 2.637,414 1.258,415 3.436,416 2,417 1,418 1.575,420 2.322,421 1,422 2.572,423 1.142,424 3.313,425 1.79,426 0.827,427 1.248,428 1.871,429 0.794,430 2.196,431 1,432 3.077,433 1.415,434 0.479,435 0.832,436 0.884,437 0.447,438 1.853,439 0.926,440 2.784,441 1.164,442 0.222,443 0.354,445 0.425,446 0.208,447 1,448 0.624,449 2.653,450 0.376,451 -0.586,452 -0.805,454 -1.264,455 -0.563,456 1,457 0.057,458 2.345,459 0.317,460 -0.655,461 -0.93,463 -1.587,464 -0.625,465 12.567,466 0.465,467 0.848,468 0.031,469 41.75,470 1.546,471 24.5,472 0.907,473 17.25,474 0.639,475 16.389,476 0.607,477 28.233,478 0.724,479 33.859,480 1.254,481 8.262,482 0.306,483 4.562,484 0.169,485 0.178,486 0.066,487 0.294,493 0.344,494 1.172,495 0.719,496 1.205,497 0.563,498 0.884,499 0.62,500 1.126,501 0.734,502 0.874,503 0.496,504 0.799,505 0.906,506 1.258,507 1.365,508 1.366,509 0.668,510 1.109,511 1.535,512 1.038,513 1.29,514 1.04,515 1.483,516 1.099,517 1.064,518 0.931,519 1.043,520 1.058,521 1.176,522 0.991,523 0.773,524 1.105,525 0.954,526 1.066,527 0.79,528 1.054,529 0.882,530 0.707,531 1.013,532 0.783,533 0.845,534 0.911,535 1.214,536 0.854,537 1.093,538 0.96,539 1.19,540 1.038,541 7,542 0.12,543 4.444,544 2.229,545 1.493,546 1.212,547 0.706,548 0.41,549 0.277,550 0.21,551 8544,552 34498,553 1.984,554 30.8,556 9,557 1,558 2,564 1.7,565 1.81,566 3.439,567 -0.586,568 1,569 1,573 75.601,574 1.938,575 3.932,576 4.663,577 5.061,578 5.061,579 5.061,580 2.876,581 4.533,582 4.729,583 3.591,584 1260.35,585 8.203,586 16282.9,587 1,588 1,590 1,591 206.131,592 1.698,593 4.65,594 0.241,595 0.006,596 0.106,597 0.051,598 0.04,599 0.036,600 0.021,601 0.015,602 0.011,603 0.009,604 0.535,605 0.33,606 0.88,607 0.936,608 134.273,609 0.269,611 0.215,612 -0.099,613 -0.053,614 -0.03,615 0.172,616 -0.043,617 0.115,618 0.1,619 0.201,620 0.073,621 -0.114,622 -0.177,623 -0.26,624 -0.233,625 0.056,626 -0.162,627 -0.4,628 -0.094,629 -0.256,630 -0.048,631 -0.322,632 -0.13,633 -0.048,634 0.052,635 0.05,636 -0.029,637 -0.189,638 0.002,639 0.341,640 -0.159,641 0.091,642 -0.074,643 0.328,644 -0.075,645 0.083,646 0.272,647 0.009,648 0.151,649 0.048,650 0.097,651 -0.209,652 0.029,653 -0.071,654 0.079,655 -0.18,656 0.034,657 4.98,658 5.556,659 0.556,660 22.93,661 1.042,662 1.128,663 1.673,664 2.8,665 0.712,666 3.401,667 3.761,668 4.025,669 4.19,670 4.382,671 4.443,672 4.489,673 4.477,674 4.394,675 4.394,676 6.542,677 0.712,678 384.41,679 3.401,680 4.963,681 5.82,682 6.706,683 7.584,684 8.472,685 9.356,686 10.245,687 11.132,688 12.022,689 15.4,692 1,697 1,698 2,699 1,700 1,703 1,704 8,705 1,709 4,711 16,713 1,725 1,731 39,733 22,734 1,735 29,737 41,738 16,739 13,740 2,741 4,742 1,746 3,747 4,760 1,761 14,762 1,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 12,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 1,848 27,852 1,859 1,861 1,866 1,868 1,870 10.3,873 2,876 2,877 14.917,878 7.533,879 5.917,880 2.036,881 3.983,882 1.556,883 0.975,884 4.915,885 11.152,886 3.807,887 4.463,888 5.055,889 5.601,890 6.135,891 6.522,892 6.892,893 7.147,894 7.255,895 7.532,896 1,897 44,898 10.232,900 4.768,901 8.38,902 17.817,904 14.378,905 2.88,906 77.75,910 141.253,911 127.628,912 72.615,914 95.06,916 5.807,917 121.821,918 236.313,919 72.615,920 14.066,922 71.712,923 110.167,924 70.008,925 13.915,926 105.94,927 50.747,928 141.253,929 194.436,930 95.06,931 5.807,933 141.253,934 44.313,935 50.747,937 59.33,938 103.726,939 37.188,941 141.253,942 167.675,943 127.628,945 5.807,946 141.253,947 12.823,948 100.626,949 16.602,950 159.445,951 141.253,952 167.675,953 127.628,955 0.595,956 0.356,957 0.168,958 0.09,959 20,960 10,961 0.122,962 5,963 1,964 1.133,965 3.764,966 226.451,967 0.133,968 15,969 124.382,973 1,974 18.529,975 7.161,976 3.654,977 0.582,978 160.841,979 10.996,980 4.096,984 0.353,987 436.557,988 44,990 -0.673,991 -4.063,993 46.799,995 1.29,996 3.909,999 40.647,1000 43.993,1001 0.367,1002 0.744,1003 0.882,1004 0.958,1005 0.958,1006 0.958,1007 5.056,1008 1.263,1009 5.861,1010 3.825,1011 4.443,1012 5.15,1013 3.019,1014 6.742,1015 4.362,1016 6.335,1017 1.09,1018 7.486,1019 3.372,1020 4.29,1021 5.286,1022 2.361,1023 8.034,1024 4.131,1025 7.703,1026 1,1027 9.229,1028 2.717,1029 6.159,1030 7.543,1031 4.585,1032 11.087,1033 5.97,1034 9.116,1035 0.827,1036 11.046,1037 2.322,1038 6.825,1039 8.504,1040 4.506,1041 13.224,1042 6.537,1043 10.564,1044 0.479,1045 12.912,1046 1.871,1047 8.239,1048 10.282,1049 6.263,1050 15.913,1051 7.911,1052 12.038,1053 0.222,1054 14.813,1055 0.884,1056 9.238,1057 11.578,1058 6.556,1059 18.345,1060 8.807,1061 13.533,1062 -0.586,1063 16.741,1064 0.425,1065 10.51,1066 13.196,1067 8.011,1068 20.949,1069 10.022,1070 3.5,1071 -0.655,1072 18.69,1073 -1.264,1074 11.643,1075 14.632,1076 8.548,1077 23.483,1078 11.057,1079 3.091,1080 13.445,1081 20.655,1082 -1.587,1083 12.875,1084 16.195,1085 9.813,1086 26.072,1087 12.219,1088 2.727,1089 10.36,1090 22.633,1091 4.766,1092 14.064,1093 17.689,1094 10.509,1095 28.642,1096 13.314,1097 2.359,1098 8.292,1099 24.622,1100 4.518,1101 15.29,1102 19.234,1103 11.655,1104 31.231,1105 14.46,1106 2.061,1107 6.738,1108 26.618,1109 3.893,1110 16.504,1111 20.754,1112 12.452,1113 33.816,1114 15.582,1115 1.899,1116 6.047,1117 28.622,1118 3.275,1119 17.732,1120 22.296,1121 13.525,1122 36.408,1123 16.726,1124 1.512,1125 5.719,1126 30.63,1127 2.884,1128 18.959,1129 23.828,1130 14.386,1131 38.999,1132 17.862,1133 8419,1134 17096,1135 18.493,1136 27.784,1137 45.709,1138 48.817,1139 46.093,1140 44.064,1141 44.061,1142 63.562,1143 9.294,1144 132.033,1145 42.403,1146 5.727,1147 6.721,1148 7.191,1149 5.485,1150 5.5,1151 7.766,1152 4.647,1153 21.317,1154 5.218,1155 16.223,1156 1.576,1157 1.683,1158 1.589,1159 1.519,1160 1.519,1161 2.192,1162 0.32,1163 4.553,1164 1.462,1165 4.14,1166 4.176,1167 4.741,1168 4.072,1169 7.815,1170 4.02,1171 4.073,1172 4.074,1173 4.088,1174 3.968,1175 7.715,1176 3.962,1177 3.788,1178 3.789,1179 3.871,1180 3.602,1181 6.999,1182 3.565,1183 3.512,1184 3.547,1185 3.478,1186 3.394,1187 6.999,1188 3.399,1189 3.404,1190 3.444,1191 3.37,1192 3.019,1193 6.82,1194 3.099,1195 3.198,1196 3.236,1197 3.186,1198 2.951,1199 5.071,1200 2.981,1201 3.058,1202 3.137,1203 2.918,1204 2.858,1205 4.658,1206 2.846,1207 2.829,1208 2.922,1209 2.69,1210 2.608,1211 4.579,1212 2.602,1213 0.17,1214 0.163,1215 0.264,1216 0.153,1217 0.121,1218 4.931,1219 0.164,1220 4.721,1221 0.09,1222 7.642,1223 0.464,1224 4.427,1225 0.111,1226 3.5,1227 4.766,1228 2.612,1229 13.445,1230 3.218,1231 1.974,1232 1.979,1233 1.996,1234 2.101,1235 1.181,1236 2.097,1237 1.92,1238 1.889,1239 1.989,1240 2.059,1241 1.106,1242 2.038,1243 1.597,1244 1.583,1245 1.685,1246 1.855,1247 0.778,1248 1.831,1249 1.446,1250 1.431,1251 1.562,1252 1.662,1253 0.63,1254 1.626,1255 1.184,1256 1.135,1257 1.276,1258 1.554,1259 0.425,1260 1.517,1261 1.143,1262 1.085,1263 1.211,1264 1.383,1265 0.213,1266 1.34,1267 1.047,1268 0.99,1269 1.125,1270 1.286,1271 0.132,1272 1.331,1273 0.779,1274 0.712,1275 1.05,1276 1.041,1277 0.065,1278 1.031,1279 4.078,1281 5.425,1282 2.398,1283 6.967,1284 4.727,1285 8.592,1286 6.823,1287 10.26,1289 1.219,1300 0.712,1303 8.989,1304 2.014,1305 27.755,1306 75.601,1307 153.337,1308 181.866,1309 197.376,1310 197.376,1311 197.376,1312 69.143,1313 7.169,1314 136.65,1315 145.03,1316 17,1317 12.551,1318 4.524,1319 4,1320 47.083,1321 107,1322 101,1323 0.216,1324 177.748,1325 306.21,1326 425.465,1327 12380,1329 19.604,1330 0.726,1331 0.546,1332 19.854,1333 14.737,1334 12.824,1335 0.442,1336 0.307,1337 7.442,1338 11.292,1339 7.166,1340 5.968,1341 13.612,1342 8.916,1343 12.016,1344 0.286,1345 0.175,1346 13.377,1347 7.345,1348 10.198,1349 0.185,1350 0.097,1351 11.563,1352 5.354,1353 7.414,1354 0.114,1355 0.05,1356 8.307,1357 3.281,1358 5.861,1359 0.074,1360 0.027,1361 6.664,1362 2.152,1363 0.341,1364 90.202,1365 0.233,1366 25.93,1367 0.588,1368 142,1369 559.673,1370 201.559,1371 558.934,1372 738.23,1373 508,1374 168,1375 516.618,1376 234.316,1377 551.934,1378 792.15,1379 513,1380 7.444}
{0 CHEMBL1928722,1 1.879,2 11.103,3 3.576,4 12.791,5 108.922,6 9.166,7 0.516,8 3.935,9 4.028,10 3.812,11 3.496,12 5.21,13 3.482,14 4.434,15 4.571,16 4.123,17 3.862,18 5.918,19 3.85,20 4.632,21 4.78,22 4.214,23 4.019,24 6.029,25 3.984,26 4.767,27 4.919,28 4.175,29 4.002,30 6.171,31 3.964,32 4.734,33 4.915,34 4.138,35 3.895,36 6.084,37 3.86,38 4.695,39 4.87,40 4.087,41 3.793,42 6.372,43 3.786,44 4.635,45 4.849,46 3.864,47 3.715,48 6.077,49 3.676,50 4.485,51 4.687,52 3.674,53 3.655,54 5.787,55 3.588,56 0.232,57 0.748,58 8.314,59 4.026,60 22.095,61 4.12,62 0.555,63 1.126,64 14.26,65 6.186,66 86.9,67 6.854,68 0.519,69 1.346,70 21.684,71 8.529,72 57.173,73 8.767,74 0.794,75 1.409,76 26.093,77 9.378,78 130.931,79 8.912,80 0.864,81 1.322,82 29.367,83 9.315,84 130.54,85 9.468,86 1.099,87 1.244,88 23.72,89 7.35,90 192.962,91 8.038,92 0.904,93 1.139,94 23.487,95 7.045,96 105.962,97 8.014,98 0.711,99 0.933,100 22.068,101 7.636,102 122.294,103 8.322,104 59,105 45,106 0.316,107 0.685,108 0.821,109 0.864,110 0.864,111 0.864,112 3.408,113 0.957,114 -3.38,115 -3.37,116 -3.22,119 40,120 1,121 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 6,174 4,175 8,183 7,186 2,187 17,195 5,198 2,199 13,207 3,211 6,212 16,223 8,224 7,232 2,236 7,237 5,245 2,249 1,250 7,258 4,263 8,271 4,275 1330,276 19.082,277 19.082,278 19.082,279 19.082,280 19.082,281 16.462,282 15.452,283 10.794,284 19.403,285 15.084,286 15.084,287 15.084,288 15.084,289 15.084,290 10.802,291 10.804,292 4.865,293 15.638,294 3.613,295 1.414,296 0.603,297 0.345,298 0.345,299 0.345,300 4.081,304 1,305 1,306 674,307 4.416,310 70.046,311 189.259,314 129.555,318 1.562,319 50.208,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 65,331 322,332 4.962,333 4.743,334 7.702,335 4.467,336 3.539,337 4.805,338 2.612,339 13.768,340 3.26,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.239,351 3.775,352 6.093,353 3.74,354 2.764,355 3.92,357 8.593,358 2.698,359 3.894,360 3.097,361 5.783,362 3.381,363 2.398,364 3.286,366 7.508,367 2.355,368 3.805,369 2.719,370 5.293,371 3.339,372 2.347,373 3.258,375 6.731,376 2.325,377 3.468,378 2.402,379 5.099,380 2.939,381 1.979,382 2.789,384 5.929,385 1.894,386 3.024,387 2.23,388 4.822,389 2.596,390 1.641,391 2.122,393 4.565,394 1.555,395 3.013,396 1.964,397 4.163,398 2.288,399 1.293,400 2.058,402 3.477,403 1.286,404 2.948,405 1.897,406 3.965,407 2.232,408 1.26,409 1.836,411 3.1,412 1.222,413 2.698,414 1.378,415 3.77,416 2.07,417 1.084,418 1.648,420 2.796,421 1.067,422 2.612,423 1.176,424 3.32,425 1.792,426 0.829,427 1.25,428 1.875,429 0.796,430 2.197,431 1,432 3.126,433 1.518,434 0.527,435 0.837,436 0.924,437 0.521,438 1.857,439 0.931,440 2.895,441 1.412,442 0.471,443 0.6,445 0.803,446 0.442,447 1.719,448 0.727,449 2.776,450 1.164,451 0.221,452 0.351,454 0.422,455 0.208,456 1,457 0.612,458 2.536,459 0.514,460 -0.466,461 -0.587,463 -0.921,464 -0.451,465 13.567,466 0.468,467 0.9,468 0.031,469 42.75,470 1.474,471 24.5,472 0.845,473 18.25,474 0.629,475 20.692,476 0.714,477 30.833,478 0.685,479 35.976,480 1.241,481 8.26,482 0.285,483 5.512,484 0.19,485 0.201,486 0.061,487 0.31,493 0.335,494 1.203,495 0.73,496 1.216,497 0.549,498 0.929,499 0.576,500 1.098,501 0.697,502 0.864,503 0.465,504 0.789,505 0.831,506 1.182,507 1.157,508 1.214,509 0.636,510 0.991,511 1.378,512 1.187,513 1.38,514 1.279,515 1.358,516 1.182,517 1.163,518 1.026,519 1.237,520 1.199,521 1.244,522 1.03,523 1.061,524 1.06,525 1.006,526 0.978,527 0.995,528 1.017,529 1.119,530 0.707,531 1.044,532 0.773,533 1.036,534 0.931,535 1.335,536 0.713,537 1.005,538 0.781,539 1.361,540 0.876,541 7.5,542 0.173,543 4.889,544 2.542,545 2.044,546 1.497,547 0.788,548 0.441,549 0.319,550 0.255,551 9958,552 37264,553 1.965,554 35.6,555 5,556 8,557 1,558 2,564 1.721,565 1.785,566 3.437,567 -0.615,569 1,573 84.565,574 1.879,575 4.078,576 4.889,577 5.147,578 5.147,579 5.147,580 2.86,581 4.418,582 4.832,583 3.602,584 1462.39,585 8.422,586 19767,588 1,590 1,591 247.133,592 1.713,593 4.748,594 0.242,595 0.007,596 0.109,597 0.052,598 0.046,599 0.037,600 0.02,601 0.014,602 0.011,603 0.009,604 0.546,605 0.33,606 0.88,607 1.001,608 146.998,609 0.277,610 -0.004,611 0.212,612 -0.086,613 -0.044,614 -0.026,615 0.213,616 -0.012,617 0.183,618 0.134,619 0.222,620 0.137,621 -0.049,622 -0.093,623 -0.072,624 -0.082,625 0.072,626 -0.018,627 -0.292,628 -0.179,629 -0.274,630 -0.188,631 -0.24,632 -0.227,633 -0.074,634 -0.046,635 -0.047,636 -0.099,637 -0.173,638 -0.031,639 0.154,640 -0.099,641 -0.013,642 -0.049,643 0.202,644 -0.09,645 -0.033,646 0.249,647 -0.059,648 0.121,649 -0.026,650 0.034,651 -0.218,652 0.122,653 0.03,654 0.232,655 -0.209,656 0.2,657 5.022,658 5.936,659 0.517,660 25.375,661 1.031,662 1.129,663 2.154,664 4.64,665 0.696,666 3.466,667 3.829,668 4.111,669 4.304,670 4.511,671 4.585,672 4.585,673 4.554,674 4.511,675 4.511,676 6.651,677 0.685,678 412.47,679 3.466,680 5.03,681 5.894,682 6.788,683 7.675,684 8.572,685 9.464,686 10.363,687 11.258,688 12.157,689 13.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 45,733 22,734 1,735 31,737 47,738 18,739 13,740 3,741 3,742 1,746 3,747 4,752 1,758 1,760 1,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 16,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 29,852 1,854 1,859 1,861 1,866 1,868 1,870 8.9,873 2,876 2,877 16.25,878 8.95,879 6.444,880 2.612,881 4.02,882 1.549,883 0.966,884 5.65,885 11.341,886 3.85,887 4.508,888 5.111,889 5.673,890 6.206,891 6.613,892 6.947,893 7.191,894 7.312,895 7.58,896 1,897 49,898 11.025,900 5.101,901 8.29,902 19.408,904 15.687,905 2.79,906 80.917,909 1,910 188.338,911 132.697,912 72.615,914 95.06,916 5.807,917 126.89,918 283.397,919 72.615,920 22.892,921 2.535,922 62.236,923 110.167,924 73.194,925 13.915,926 153.024,927 50.747,928 188.338,929 199.505,930 95.06,931 5.807,933 188.338,934 44.313,935 50.747,937 70.69,938 97.435,939 37.188,941 188.338,942 167.675,943 132.697,945 5.807,946 188.338,947 18.543,948 99.975,949 16.602,950 159.445,951 188.338,952 167.675,953 132.697,955 0.592,956 0.361,957 0.178,958 0.098,959 21,960 11,961 0.128,962 6,963 1,964 1.133,965 3.857,966 253.088,967 0.133,968 15,969 136.881,973 1,974 20.474,975 8.003,976 3.974,977 0.586,978 160.841,979 10.053,980 4.124,984 0.911,987 488.71,988 46,990 -0.645,991 -4.106,993 47.958,995 1.31,996 3.984,999 46.414,1000 50.823,1001 0.342,1002 0.743,1003 0.89,1004 0.937,1005 0.937,1006 0.937,1007 5.106,1008 1.293,1009 5.938,1010 4.565,1011 4.511,1012 5.196,1013 3.019,1014 6.832,1015 4.436,1016 6.385,1017 1.26,1018 7.57,1019 3.477,1020 4.369,1021 5.352,1022 2.361,1023 8.129,1024 4.223,1025 7.757,1026 1.084,1027 9.318,1028 3.1,1029 6.236,1030 7.592,1031 4.585,1032 11.202,1033 6.059,1034 9.172,1035 0.829,1036 11.137,1037 2.796,1038 6.909,1039 8.565,1040 4.506,1041 13.341,1042 6.639,1043 10.623,1044 0.527,1045 13.005,1046 1.875,1047 8.32,1048 10.333,1049 6.263,1050 16.054,1051 8.008,1052 12.099,1053 0.471,1054 14.907,1055 0.924,1056 9.324,1057 11.636,1058 6.556,1059 18.498,1060 8.913,1061 13.595,1062 0.221,1063 16.836,1064 0.803,1065 10.597,1066 13.251,1067 8.011,1068 21.129,1069 10.127,1070 3.539,1071 -0.466,1072 18.787,1073 0.422,1074 11.737,1075 14.691,1076 8.548,1077 23.683,1078 11.17,1079 3.091,1080 13.768,1081 20.754,1082 -0.921,1083 12.975,1084 16.256,1085 9.813,1086 26.298,1087 12.334,1088 2.764,1089 10.36,1090 22.735,1091 4.805,1092 14.173,1093 17.755,1094 10.509,1095 28.892,1096 13.438,1097 2.398,1098 8.593,1099 24.727,1100 4.519,1101 15.407,1102 19.305,1103 11.655,1104 31.507,1105 14.59,1106 2.347,1107 7.508,1108 26.729,1109 3.92,1110 16.631,1111 20.831,1112 12.452,1113 34.116,1114 15.723,1115 1.979,1116 6.731,1117 28.737,1118 3.286,1119 17.87,1120 22.377,1121 13.525,1122 36.733,1123 16.875,1124 1.641,1125 5.929,1126 30.752,1127 3.258,1128 19.108,1129 23.916,1130 14.386,1131 39.349,1132 18.022,1133 9868,1134 19279,1135 19.592,1136 31.307,1137 48.448,1138 51.793,1139 49.69,1140 46.896,1141 46.89,1142 66.56,1143 9.294,1144 141.701,1145 45.238,1146 5.772,1147 6.743,1148 7.252,1149 5.532,1150 5.539,1151 7.805,1152 4.647,1153 21.955,1154 5.26,1155 18.317,1156 1.563,1157 1.671,1158 1.603,1159 1.513,1160 1.513,1161 2.147,1162 0.3,1163 4.571,1164 1.459,1165 4.147,1166 4.178,1167 4.742,1168 4.09,1169 7.815,1170 4.033,1171 4.082,1172 4.088,1173 4.088,1174 3.97,1175 7.715,1176 3.976,1177 3.789,1178 3.79,1179 3.885,1180 3.621,1181 6.999,1182 3.571,1183 3.557,1184 3.608,1185 3.491,1186 3.394,1187 6.999,1188 3.399,1189 3.492,1190 3.528,1191 3.464,1192 3.299,1193 6.82,1194 3.31,1195 3.26,1196 3.329,1197 3.192,1198 2.978,1199 5.071,1200 3.007,1201 3.176,1202 3.217,1203 3.051,1204 2.878,1205 4.642,1206 2.926,1207 3.058,1208 3.135,1209 2.918,1210 2.844,1211 4.576,1212 2.843,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.962,1219 0.155,1220 4.743,1221 0.084,1222 7.702,1223 0.444,1224 4.467,1225 0.105,1226 3.539,1227 4.805,1228 2.612,1229 13.768,1230 3.26,1231 1.999,1232 2.002,1233 2.037,1234 2.113,1235 1.282,1236 2.113,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.108,1242 2.039,1243 1.601,1244 1.589,1245 1.74,1246 1.858,1247 0.905,1248 1.833,1249 1.469,1250 1.431,1251 1.684,1252 1.751,1253 0.764,1254 1.738,1255 1.444,1256 1.402,1257 1.562,1258 1.61,1259 0.63,1260 1.615,1261 1.151,1262 1.089,1263 1.219,1264 1.47,1265 0.424,1266 1.452,1267 1.108,1268 1.04,1269 1.211,1270 1.381,1271 0.237,1272 1.338,1273 1.021,1274 0.971,1275 1.123,1276 1.281,1277 0.133,1278 1.318,1279 4.143,1281 5.493,1282 2.398,1283 7.041,1284 4.727,1285 8.677,1286 6.823,1287 10.36,1289 3.006,1295 0.384,1300 0.753,1303 9.038,1304 2.027,1305 30.809,1306 84.565,1307 183.524,1308 220.014,1309 231.624,1310 231.624,1311 231.624,1312 81.392,1313 7.321,1314 136.65,1315 145.03,1316 17,1317 12.681,1318 4.524,1319 4,1320 52.453,1321 116,1322 117,1323 0.221,1324 196.933,1325 340.81,1326 472.276,1327 14872,1329 21.181,1330 0.73,1331 0.564,1332 21.431,1333 16.367,1334 13.772,1335 0.444,1336 0.319,1337 8.42,1338 12.255,1339 8.078,1340 6.753,1341 14.561,1342 9.893,1343 12.74,1344 0.283,1345 0.177,1346 14.083,1347 7.962,1348 10.945,1349 0.182,1350 0.101,1351 12.307,1352 6.034,1353 8.139,1354 0.111,1355 0.054,1356 9.181,1357 3.975,1358 6.479,1359 0.072,1360 0.03,1361 7.444,1362 2.7,1363 0.346,1364 95.894,1365 0.226,1366 27.382,1367 0.608,1368 152,1369 571.673,1370 211.559,1371 571.326,1372 758.02,1373 520,1374 181,1375 533.618,1376 248.987,1377 569.502,1378 820.5,1379 530,1380 8.824}
{0 CHEMBL1928723,1 1.85,2 11.167,3 3.828,4 14.655,5 113.471,6 8.885,7 0.5,8 3.989,9 4.087,10 3.837,11 3.548,12 5.244,13 3.528,14 4.499,15 4.644,16 4.158,17 3.925,18 5.946,19 3.905,20 4.712,21 4.864,22 4.252,23 4.099,24 6.075,25 4.053,26 4.878,27 5.053,28 4.248,29 4.108,30 6.217,31 4.05,32 4.832,33 5.01,34 4.226,35 4.022,36 6.163,37 3.969,38 4.856,39 5.046,40 4.157,41 3.903,42 6.474,43 3.889,44 4.725,45 4.935,46 3.953,47 3.818,48 6.164,49 3.781,50 4.674,51 4.894,52 3.723,53 3.761,54 5.954,55 3.68,56 0.232,57 0.787,58 9.481,59 4.357,60 19.337,61 4.687,62 0.553,63 1.193,64 16.431,65 6.781,66 87.578,67 7.9,68 0.497,69 1.45,70 23.835,71 9.393,72 51.991,73 10.174,74 0.809,75 1.55,76 30.725,77 10.753,78 132.418,79 11.4,80 0.816,81 1.478,82 34.776,83 10.959,84 115.407,85 11.458,86 1.291,87 1.405,88 30.306,89 8.59,90 229.144,91 9.793,92 0.896,93 1.268,94 24.801,95 7.362,96 89.893,97 8.637,98 0.881,99 1.064,100 28.55,101 9.14,102 155.056,103 10.365,104 74,105 47,106 0.307,107 0.669,108 0.796,109 0.837,110 0.837,111 0.837,112 3.441,113 0.963,114 -3.62,115 -3.59,116 -3.42,119 39.6,120 2,122 1,124 1,142 5,143 3,144 2,145 1,151 1,152 1,155 1,158 1,166 4,172 7,174 4,175 8,183 9,186 2,187 17,195 6,198 2,199 13,207 5,211 6,212 19,223 8,224 9,232 2,236 7,237 7,245 2,249 1,250 7,258 5,263 8,271 4,275 1458,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 16.823,282 16.665,283 10.955,284 19.74,285 15.63,286 15.63,287 15.63,288 15.63,289 15.63,290 11.384,291 12.275,292 5.015,293 16.183,294 3.735,295 1.559,296 0.789,297 0.547,298 0.547,299 0.547,300 4.112,304 1,305 1,306 699,307 4.637,310 72.695,311 196.774,314 134.522,318 1.578,319 51.229,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 67,331 335,332 4.968,333 4.745,334 7.712,335 4.479,336 3.549,337 4.809,338 2.612,339 13.825,340 3.276,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.249,351 3.775,352 6.282,353 3.791,354 2.808,355 3.926,357 9.065,358 2.762,359 3.923,360 3.097,361 5.875,362 3.545,363 2.565,364 3.357,366 7.966,367 2.507,368 3.89,369 2.937,370 5.296,371 3.349,372 2.357,373 3.272,375 6.734,376 2.336,377 3.473,378 2.441,379 5.162,380 2.953,381 1.996,382 2.791,384 5.945,385 1.904,386 3.086,387 2.274,388 5.069,389 2.716,390 1.753,391 2.214,393 5.026,394 1.679,395 3.024,396 2.055,397 4.219,398 2.436,399 1.451,400 2.118,402 3.653,403 1.425,404 3.004,405 1.899,406 4.102,407 2.233,408 1.263,409 1.843,411 3.347,412 1.222,413 2.712,414 1.403,415 3.776,416 2.074,417 1.089,418 1.656,420 2.802,421 1.071,422 2.617,423 1.213,424 3.625,425 2,426 1,427 1.348,428 2.435,429 1,430 2.397,431 1.124,432 3.319,433 1.79,434 0.827,435 1.246,436 1.873,437 0.795,438 2.195,439 1,440 3.102,441 1.416,442 0.479,443 0.832,445 0.886,446 0.447,447 1.853,448 0.926,449 2.793,450 1.165,451 0.223,452 0.355,454 0.426,455 0.209,456 1,457 0.625,458 2.721,459 0.578,460 -0.399,461 -0.52,463 -1.038,464 -0.385,465 14.067,466 0.469,467 1.027,468 0.034,469 43.25,470 1.442,471 24.5,472 0.817,473 18.75,474 0.625,475 23.213,476 0.774,477 32.133,478 0.669,479 37.156,480 1.239,481 8.234,482 0.274,483 5.911,484 0.197,485 0.23,486 0.059,487 0.334,493 0.333,494 1.216,495 0.739,496 1.223,497 0.552,498 0.95,499 0.56,500 1.077,501 0.679,502 0.85,503 0.451,504 0.774,505 0.799,506 1.206,507 1.146,508 1.24,509 0.618,510 1.045,511 1.26,512 1.104,513 1.217,514 1.155,515 1.259,516 1.083,517 1.077,518 1.16,519 1.401,520 1.427,521 1.147,522 1.127,523 1.26,524 0.996,525 1.014,526 0.879,527 1.2,528 0.942,529 1.144,530 0.778,531 1.079,532 0.845,533 0.987,534 0.998,535 1.482,536 0.645,537 1.008,538 0.702,539 1.54,540 0.828,541 8,542 0.209,543 5.111,544 2.792,545 2.244,546 1.67,547 0.91,548 0.441,549 0.344,550 0.29,551 10729,552 38765,553 1.948,554 37.5,555 7,556 8,557 1,558 2,564 1.731,565 1.756,566 3.43,567 -0.627,569 1,573 88.799,574 1.85,575 4.026,576 4.796,577 5.038,578 5.038,579 5.038,580 2.845,581 4.415,582 4.881,583 3.609,584 1570.1,585 8.525,586 21688.1,588 1,590 1,591 268.078,592 1.731,593 4.788,594 0.25,595 0.007,596 0.109,597 0.055,598 0.048,599 0.037,600 0.022,601 0.013,602 0.012,603 0.009,604 0.561,605 0.33,606 0.88,607 1.004,608 153.465,609 0.28,610 -0.005,611 0.21,612 -0.08,613 -0.048,614 -0.024,615 0.227,616 0.013,617 0.209,618 0.158,619 0.233,620 0.17,621 -0.033,622 -0.111,623 -0.084,624 -0.113,625 0.072,626 -0.066,627 -0.212,628 -0.115,629 -0.116,630 -0.074,631 -0.19,632 -0.097,633 -0.028,634 -0.145,635 -0.12,636 -0.237,637 -0.116,638 -0.118,639 0.062,640 -0.061,641 -0.011,642 0.033,643 0.114,644 -0.018,645 -0.059,646 0.223,647 -0.139,648 0.022,649 -0.009,650 -0.082,651 -0.257,652 0.154,653 0.036,654 0.287,655 -0.257,656 0.237,657 5.055,658 6.081,659 0.5,660 26.907,661 1.027,662 1.13,663 2.386,664 5.695,665 0.689,666 3.497,667 3.871,668 4.143,669 4.344,670 4.564,671 4.644,672 4.654,673 4.575,674 4.564,675 4.564,676 6.715,677 0.674,678 426.5,679 3.497,680 5.069,681 5.932,682 6.83,683 7.718,684 8.619,685 9.514,686 10.416,687 11.314,688 12.217,689 12.5,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 48,733 22,734 1,735 32,737 50,738 19,739 13,740 3,741 3,742 1,746 3,747 4,752 2,760 1,761 14,762 4,763 1,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 18,782 8,784 11,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 30,852 1,858 1,859 1,861 1,866 1,868 1,870 8.3,873 2,876 2,877 17.083,878 9.783,879 6.556,880 2.737,881 4.033,882 1.546,883 0.956,884 5.888,885 11.423,886 3.871,887 4.53,888 5.129,889 5.693,890 6.234,891 6.64,892 6.989,893 7.199,894 7.342,895 7.598,896 1,897 51,898 11.42,900 5.286,901 8.258,902 20.165,904 16.373,905 2.758,906 82.75,909 1,910 211.88,911 138.988,912 72.615,914 95.06,916 5.807,917 133.18,918 306.94,919 72.615,920 31.717,922 62.236,923 110.167,924 73.194,925 13.915,926 176.567,927 50.747,928 211.88,929 205.796,930 95.06,931 5.807,933 211.88,934 44.313,935 50.747,937 76.98,938 97.435,939 37.188,941 211.88,942 167.675,943 138.988,945 5.807,946 211.88,947 16.008,948 108.8,949 16.602,950 159.445,951 211.88,952 167.675,953 138.988,955 0.599,956 0.357,957 0.174,958 0.099,959 22,960 12,961 0.12,962 6,963 1,964 1.133,965 3.897,966 266.927,967 0.133,968 15,969 139.207,973 1,974 21.449,975 8.235,976 4.211,977 0.585,978 160.841,979 10.098,980 4.134,984 0.909,987 518.543,988 47,990 -0.641,991 -4.139,993 48.412,995 1.313,996 4.01,999 49.298,1000 54.239,1001 0.331,1002 0.721,1003 0.859,1004 0.902,1005 0.902,1006 0.902,1007 5.136,1008 1.451,1009 5.984,1010 5.026,1011 4.554,1012 5.218,1013 3.019,1014 6.882,1015 4.482,1016 6.417,1017 1.263,1018 7.62,1019 3.653,1020 4.443,1021 5.38,1022 2.361,1023 8.177,1024 4.308,1025 7.787,1026 1.089,1027 9.371,1028 3.347,1029 6.282,1030 7.606,1031 4.585,1032 11.254,1033 6.114,1034 9.202,1035 1,1036 11.191,1037 2.802,1038 6.967,1039 8.58,1040 4.506,1041 13.386,1042 6.714,1043 10.651,1044 0.827,1045 13.058,1046 2.435,1047 8.368,1048 10.345,1049 6.263,1050 16.101,1051 8.073,1052 12.126,1053 0.479,1054 14.96,1055 1.873,1056 9.375,1057 11.648,1058 6.556,1059 18.541,1060 8.987,1061 13.621,1062 0.223,1063 16.887,1064 0.886,1065 10.644,1066 13.261,1067 8.011,1068 21.174,1069 10.198,1070 3.549,1071 -0.399,1072 18.835,1073 0.426,1074 11.784,1075 14.701,1076 8.548,1077 23.727,1078 11.245,1079 3.091,1080 13.825,1081 20.8,1082 -1.038,1083 13.02,1084 16.265,1085 9.813,1086 26.345,1087 12.409,1088 2.808,1089 10.36,1090 22.779,1091 4.809,1092 14.217,1093 17.764,1094 10.509,1095 28.94,1096 13.515,1097 2.565,1098 9.065,1099 24.768,1100 4.519,1101 15.451,1102 19.314,1103 11.655,1104 31.559,1105 14.668,1106 2.357,1107 7.966,1108 26.767,1109 3.926,1110 16.676,1111 20.84,1112 12.452,1113 34.171,1114 15.802,1115 1.996,1116 6.734,1117 28.774,1118 3.357,1119 17.915,1120 22.387,1121 13.525,1122 36.792,1123 16.956,1124 1.753,1125 5.945,1126 30.787,1127 3.272,1128 19.154,1129 23.926,1130 14.386,1131 39.412,1132 18.105,1133 10657,1134 20461,1135 19.997,1136 33.068,1137 50.778,1138 53.945,1139 51.796,1140 48.885,1141 48.902,1142 68.573,1143 9.294,1144 148.687,1145 47.25,1146 5.783,1147 6.745,1148 7.261,1149 5.545,1150 5.549,1151 7.809,1152 4.647,1153 22.095,1154 5.276,1155 19.97,1156 1.587,1157 1.686,1158 1.619,1159 1.528,1160 1.528,1161 2.143,1162 0.29,1163 4.646,1164 1.477,1165 4.15,1166 4.179,1167 4.742,1168 4.094,1169 7.815,1170 4.037,1171 4.084,1172 4.093,1173 4.088,1174 3.97,1175 7.715,1176 3.978,1177 3.79,1178 3.79,1179 3.89,1180 3.634,1181 6.999,1182 3.576,1183 3.622,1184 3.675,1185 3.537,1186 3.408,1187 6.999,1188 3.416,1189 3.501,1190 3.535,1191 3.474,1192 3.394,1193 6.82,1194 3.397,1195 3.301,1196 3.36,1197 3.203,1198 2.982,1199 5.071,1200 3.022,1201 3.186,1202 3.222,1203 3.142,1204 2.894,1205 4.647,1206 2.952,1207 3.058,1208 3.135,1209 2.918,1210 2.851,1211 4.578,1212 2.844,1213 0.155,1214 0.148,1215 0.241,1216 0.14,1217 0.111,1218 4.968,1219 0.15,1220 4.745,1221 0.082,1222 7.712,1223 0.432,1224 4.479,1225 0.102,1226 3.549,1227 4.809,1228 2.612,1229 13.825,1230 3.276,1231 2.007,1232 2.009,1233 2.055,1234 2.117,1235 1.312,1236 2.118,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.108,1242 2.039,1243 1.611,1244 1.597,1245 1.801,1246 1.861,1247 0.976,1248 1.838,1249 1.557,1250 1.5,1251 1.685,1252 1.803,1253 0.77,1254 1.802,1255 1.446,1256 1.43,1257 1.562,1258 1.622,1259 0.63,1260 1.618,1261 1.152,1262 1.09,1263 1.417,1264 1.492,1265 0.469,1266 1.461,1267 1.115,1268 1.054,1269 1.211,1270 1.381,1271 0.424,1272 1.338,1273 1.024,1274 0.977,1275 1.196,1276 1.281,1277 0.171,1278 1.318,1279 4.174,1281 5.533,1282 2.398,1283 7.084,1284 4.727,1285 8.721,1286 6.823,1287 10.407,1289 4.853,1299 -0.169,1300 0.76,1303 9.06,1304 2.031,1305 32.336,1306 88.799,1307 193.249,1308 230.204,1309 241.814,1310 241.814,1311 241.814,1312 88.584,1313 7.39,1314 136.65,1315 145.03,1316 17,1317 12.738,1318 4.524,1319 4,1320 55.243,1321 121,1322 125,1323 0.223,1324 206.525,1325 358.11,1326 495.681,1327 16173,1329 22.052,1330 0.735,1331 0.575,1332 22.302,1333 17.237,1334 14.145,1335 0.442,1336 0.321,1337 8.802,1338 12.628,1339 8.388,1340 7.046,1341 14.934,1342 10.276,1343 13.48,1344 0.287,1345 0.185,1346 14.822,1347 8.693,1348 11.187,1349 0.18,1350 0.1,1351 12.538,1352 6.195,1353 8.353,1354 0.11,1355 0.055,1356 9.405,1357 4.181,1358 6.735,1359 0.071,1360 0.03,1361 7.785,1362 2.897,1363 0.348,1364 98.13,1365 0.224,1366 28.104,1367 0.616,1368 158,1369 577.673,1370 217.559,1371 578.225,1372 767.66,1373 526,1374 188,1375 541.618,1376 255.987,1377 578.866,1378 833.51,1379 538,1380 8.745}
{0 CHEMBL1928724,1 2.066,2 11.036,3 2.84,4 8.063,5 99.496,6 10.318,7 0.533,8 3.826,9 3.905,10 3.793,11 3.381,12 5.204,13 3.397,14 4.304,15 4.412,16 4.116,17 3.737,18 5.93,19 3.765,20 4.506,21 4.627,22 4.216,23 3.858,24 6.059,25 3.877,26 4.638,27 4.783,28 4.125,29 3.764,30 6.349,31 3.795,32 4.438,33 4.596,34 4.053,35 3.617,36 5.96,37 3.642,38 4.429,39 4.566,40 4.037,41 3.543,42 6.432,43 3.588,44 4.328,45 4.52,46 3.758,47 3.472,48 5.875,49 3.47,50 4.185,51 4.338,52 3.646,53 3.446,54 5.643,55 3.433,56 0.268,57 0.736,58 4.89,59 3.399,60 39.942,61 2.737,62 0.637,63 1.108,64 8.106,65 5.016,66 106.895,67 4.228,68 0.7,69 1.364,70 15.778,71 7.227,72 101.122,73 5.366,74 1.302,75 1.325,76 18.216,77 7.341,78 238.039,79 5.211,80 0.851,81 1.121,82 15.949,83 6.305,84 142.258,85 5.456,86 1.206,87 1.088,88 14.455,89 5.812,90 233.714,91 5.036,92 0.787,93 0.912,94 14.518,95 5.169,96 106.572,97 4.942,98 0.668,99 0.825,100 12.299,101 5.503,102 116.937,103 4.872,104 54,105 44,106 0.356,107 0.714,108 0.82,109 0.871,110 0.871,111 0.871,112 3.375,113 0.902,114 -3.03,115 -3.03,116 -2.92,119 41,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,158 1,166 4,172 3,174 4,175 8,183 3,186 2,187 14,195 2,198 2,199 8,207 1,211 6,212 9,223 8,224 3,232 1,236 7,237 3,245 1,249 1,250 5,258 2,263 6,271 2,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.539,282 13.789,283 10.272,284 18.586,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.375,291 10.523,292 4.709,293 15.316,294 3.22,295 1.138,296 0.522,297 0.224,298 0.224,299 0.224,300 4.047,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 59.044,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 64.5,331 309,332 4.96,333 4.748,334 7.698,335 4.459,336 3.535,337 4.803,338 2.612,339 13.729,340 3.241,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.99,350 4.235,351 3.775,352 6.051,353 3.725,354 2.756,355 3.917,357 8.469,358 2.667,359 3.894,360 3.097,361 5.731,362 3.354,363 2.368,364 3.279,366 7.146,367 2.338,368 3.762,369 2.856,370 5.292,371 3.262,372 2.312,373 3.228,375 6.727,376 2.174,377 3.466,378 2.421,379 5.096,380 2.931,381 1.973,382 2.789,384 5.921,385 1.886,386 3.024,387 2.249,388 4.694,389 2.562,390 1.615,391 2.121,393 4.399,394 1.519,395 3.011,396 1.996,397 4.156,398 2.234,399 1.266,400 2.013,402 3.456,403 1.222,404 2.914,405 1.898,406 3.912,407 2.217,408 1.235,409 1.832,411 3.009,412 1.206,413 2.693,414 1.379,415 3.768,416 2.069,417 1.083,418 1.646,420 2.793,421 1.066,422 2.611,423 1.176,424 3.32,425 1.791,426 0.829,427 1.249,428 1.874,429 0.796,430 2.197,431 1,432 3.111,433 1.417,434 0.481,435 0.834,436 0.89,437 0.448,438 1.854,439 0.931,440 2.802,441 1.166,442 0.225,443 0.359,445 0.43,446 0.211,447 1.251,448 0.657,449 2.744,450 0.791,451 -0.101,452 -0.13,454 -0.235,455 -0.087,456 1,457 0.567,458 2.35,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 12.852,466 0.459,467 0.938,468 0.033,469 42.5,470 1.518,471 24.5,472 0.875,473 18,474 0.643,475 17.809,476 0.636,477 29.748,478 0.763,479 36.109,480 1.29,481 8.481,482 0.303,483 4.753,484 0.17,485 0.196,486 0.065,487 0.327,491 1,493 0.402,494 1.068,495 0.701,496 1.2,497 0.571,498 0.879,499 0.651,500 1.071,501 0.712,502 0.876,503 0.536,504 0.778,505 0.973,506 1.273,507 1.285,508 1.37,509 0.801,510 1.09,511 1.354,512 1.025,513 1.293,514 1.036,515 1.341,516 1.115,517 0.936,518 0.849,519 0.993,520 1.056,521 1.107,522 0.985,523 0.876,524 1.153,525 1.026,526 1.061,527 0.826,528 1.084,529 0.876,530 0.688,531 1.055,532 0.78,533 0.841,534 0.94,535 1.133,536 0.881,537 1.069,538 0.962,539 1.115,540 1.023,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 39913,553 1.964,554 28.2,556 8,557 1,558 2,564 1.711,565 1.778,566 3.432,567 -0.565,568 1,569 1,573 80.567,574 2.066,575 4.148,576 4.763,577 5.061,578 5.061,579 5.061,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 206.131,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 0.88,607 0.944,608 140.493,609 0.188,610 -0.018,611 0.194,612 -0.098,613 -0.046,614 -0.031,615 0.096,616 -0.084,617 0.117,618 0.096,619 0.153,620 0.095,621 -0.147,622 -0.211,623 -0.199,624 -0.237,625 -0.026,626 -0.153,627 -0.203,628 -0.015,629 -0.26,630 -0.042,631 -0.172,632 -0.159,633 0.025,634 0.078,635 0.104,636 -0.03,637 -0.159,638 0.025,639 0.326,640 -0.071,641 0.015,642 -0.063,643 0.368,644 -0.135,645 0.006,646 0.177,647 -0.018,648 0.148,649 -0.001,650 0.102,651 -0.191,652 -0.045,653 -0.032,654 0.072,655 -0.166,656 0.077,657 5.385,658 5.97,659 0.536,660 23.745,661 1.055,662 1.137,663 1.796,664 3.224,665 0.711,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.721,678 402.4,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 15.4,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,730 1,731 39,733 22,734 1,735 30,737 41,738 16,739 13,740 3,741 3,742 1,746 3,747 4,760 1,761 14,762 1,766 5,768 1,769 1,771 4,773 1,774 1,778 1,779 1,781 11,782 9,784 12,785 1,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 1,846 1,848 28,852 1,859 1,861 1,866 1,868 1,869 1,870 10.3,873 2,876 2,877 15.75,878 7.593,879 6.111,880 2.023,881 4.003,882 1.552,883 0.975,884 5.108,885 11.251,886 3.829,887 4.497,888 5.093,889 5.652,890 6.177,891 6.586,892 6.902,893 7.183,894 7.28,895 7.562,896 1,897 47,898 10.821,900 5.29,901 8.551,902 18.238,904 14.752,905 3.051,906 85.417,910 129.482,911 127.273,912 72.615,914 95.06,915 14.96,916 5.807,917 121.465,918 224.542,919 87.576,920 14.066,922 62.236,923 110.167,924 79.129,925 28.875,926 94.169,927 50.747,928 129.482,929 194.081,930 110.02,931 5.807,933 144.442,934 44.313,935 50.747,937 59.33,938 103.371,939 37.188,941 144.442,942 167.675,943 127.273,945 5.807,946 129.482,947 21.944,948 91.15,949 16.602,950 174.405,951 129.482,952 182.635,953 127.273,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.122,962 5,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 130.606,973 1,974 19.437,975 7.358,976 3.728,977 0.509,978 175.801,979 8.274,980 4.051,984 -1.778,987 439.39,988 45,990 -0.826,991 -4.469,993 46.738,995 1.177,996 3.784,999 41.16,1000 44.333,1001 0.391,1002 0.785,1003 0.901,1004 0.958,1005 0.958,1006 0.958,1007 5.088,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.185,1013 3.019,1014 6.81,1015 4.397,1016 6.373,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.197,1025 7.747,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.585,1031 4.585,1032 11.178,1033 6.012,1034 9.163,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.56,1040 4.506,1041 13.319,1042 6.594,1043 10.614,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.328,1049 6.263,1050 16.031,1051 7.957,1052 12.09,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.631,1058 6.556,1059 18.475,1060 8.861,1061 13.587,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.246,1067 8.011,1068 21.105,1069 10.073,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.687,1076 8.548,1077 23.657,1078 11.113,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.251,1085 9.813,1086 26.27,1087 12.276,1088 2.756,1089 10.36,1090 22.722,1091 4.803,1092 14.159,1093 17.751,1094 10.509,1095 28.861,1096 13.376,1097 2.368,1098 8.469,1099 24.714,1100 4.519,1101 15.392,1102 19.3,1103 11.655,1104 31.474,1105 14.526,1106 2.312,1107 7.146,1108 26.716,1109 3.917,1110 16.616,1111 20.826,1112 12.452,1113 34.08,1114 15.654,1115 1.973,1116 6.727,1117 28.725,1118 3.279,1119 17.854,1120 22.372,1121 13.525,1122 36.695,1123 16.803,1124 1.615,1125 5.921,1126 30.739,1127 3.228,1128 19.091,1129 23.911,1130 14.386,1131 39.308,1132 17.945,1133 9087,1134 19131,1135 18.898,1136 27.722,1137 47.367,1138 50.704,1139 48.352,1140 45.619,1141 45.538,1142 65.178,1143 9.294,1144 138.406,1145 43.526,1146 5.762,1147 6.748,1148 7.247,1149 5.522,1150 5.535,1151 7.803,1152 4.647,1153 21.878,1154 5.241,1155 17.851,1156 1.579,1157 1.69,1158 1.612,1159 1.521,1160 1.518,1161 2.173,1162 0.31,1163 4.614,1164 1.451,1165 4.142,1166 4.176,1167 4.742,1168 4.072,1169 8.201,1170 4.022,1171 4.077,1172 4.078,1173 4.088,1174 3.968,1175 7.815,1176 3.965,1177 3.788,1178 3.789,1179 3.88,1180 3.602,1181 7.714,1182 3.565,1183 3.513,1184 3.548,1185 3.48,1186 3.394,1187 6.999,1188 3.399,1189 3.418,1190 3.453,1191 3.418,1192 3.018,1193 6.999,1194 3.108,1195 3.199,1196 3.237,1197 3.188,1198 2.951,1199 6.82,1200 2.982,1201 3.059,1202 3.137,1203 2.918,1204 2.858,1205 5.071,1206 2.846,1207 2.829,1208 2.922,1209 2.69,1210 2.608,1211 4.596,1212 2.602,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.748,1221 0.087,1222 7.698,1223 0.458,1224 4.459,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.241,1231 1.967,1232 1.975,1233 1.992,1234 2.102,1235 1.171,1236 2.091,1237 1.92,1238 1.888,1239 1.964,1240 2.059,1241 1.106,1242 2.038,1243 1.597,1244 1.582,1245 1.685,1246 1.855,1247 0.776,1248 1.831,1249 1.446,1250 1.431,1251 1.562,1252 1.664,1253 0.63,1254 1.624,1255 1.174,1256 1.127,1257 1.216,1258 1.555,1259 0.424,1260 1.508,1261 1.141,1262 1.084,1263 1.21,1264 1.383,1265 0.147,1266 1.34,1267 1.044,1268 0.989,1269 1.118,1270 1.286,1271 0.13,1272 1.329,1273 0.779,1274 0.712,1275 1.05,1276 1.041,1277 0.065,1278 1.031,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 1.066,1291 13.97,1300 0.493,1303 8.979,1304 1.979,1305 28.138,1306 80.567,1307 161.766,1308 185.766,1309 197.376,1310 197.376,1311 197.376,1312 85.064,1313 7.248,1314 136.65,1315 145.03,1316 17,1317 12.643,1318 4.524,1319 4,1320 49.743,1321 111,1322 109,1323 0.22,1324 178.946,1325 312.28,1326 428.389,1327 13573,1328 2.6,1329 20.474,1330 0.731,1331 0.537,1332 19.854,1333 15.038,1334 13.234,1335 0.441,1336 0.301,1337 7.523,1338 11.611,1339 7.267,1340 6.027,1341 13.612,1342 9.022,1343 12.549,1344 0.285,1345 0.169,1346 13.377,1347 7.431,1348 10.623,1349 0.183,1350 0.094,1351 11.563,1352 5.45,1353 7.865,1354 0.112,1355 0.048,1356 8.307,1357 3.36,1358 6.123,1359 0.072,1360 0.026,1361 6.664,1362 2.199,1363 0.345,1364 93.532,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 653.784,1370 211.39,1371 620.971,1372 810.24,1373 564,1374 176,1375 560.952,1376 248.451,1377 589.498,1378 849.71,1379 548,1380 8.328}
{0 CHEMBL1928725,1 2.066,2 11.036,3 3.298,4 10.879,5 104.085,6 10.74,7 0.533,8 3.822,9 3.897,10 3.824,11 3.412,12 5.167,13 3.412,14 4.299,15 4.402,16 4.16,17 3.78,18 5.891,19 3.785,20 4.498,21 4.611,22 4.308,23 3.933,24 6.004,25 3.908,26 4.626,27 4.759,28 4.23,29 3.832,30 6.205,31 3.832,32 4.43,33 4.581,34 4.129,35 3.671,36 5.887,37 3.671,38 4.414,39 4.537,40 4.128,41 3.621,42 6.306,43 3.627,44 4.323,45 4.51,46 3.792,47 3.51,48 5.846,49 3.487,50 4.179,51 4.327,52 3.715,53 3.503,54 5.591,55 3.461,56 0.249,57 0.661,58 4.132,59 3.297,60 31.273,61 2.672,62 0.595,63 0.982,64 7.278,65 4.975,66 94.011,67 4.185,68 0.621,69 1.147,70 18.341,71 7.389,72 73.873,73 5.578,74 1.086,75 1.139,76 20.731,77 7.765,78 171.292,79 5.481,80 0.773,81 0.983,82 15.888,83 6.536,84 122.138,85 5.516,86 1.015,87 0.925,88 18.004,89 6.219,90 173.983,91 5.431,92 0.735,93 0.874,94 15.092,95 5.426,96 88.808,97 5.065,98 0.609,99 0.725,100 12.028,101 5.61,102 99.386,103 5.011,104 54,105 44,106 0.356,107 0.714,108 0.82,109 0.871,110 0.871,111 0.871,112 3.375,113 0.94,114 -3.15,115 -3.14,116 -3.02,119 41,124 1,142 5,143 2,144 3,145 1,151 1,152 1,155 1,158 1,166 4,172 3,174 4,175 8,183 4,186 2,187 14,195 4,198 2,199 11,207 1,211 6,212 11,223 8,224 5,232 1,236 7,237 3,245 2,249 1,250 5,258 2,263 8,271 3,275 1196,276 18.212,277 18.212,278 18.212,279 18.212,280 18.212,281 15.539,282 13.774,283 10.272,284 18.649,285 14.646,286 14.646,287 14.646,288 14.646,289 14.646,290 10.375,291 10.513,292 4.709,293 15.45,294 3.22,295 1.138,296 0.522,297 0.224,298 0.224,299 0.224,300 4.047,301 1,304 1,305 1,306 649,307 4.301,310 67.398,311 181.744,314 124.587,318 1.541,319 51.994,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 63.333,331 309,332 4.96,333 4.748,334 7.698,335 4.456,336 3.535,337 4.803,338 2.612,339 13.729,340 3.23,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.99,350 4.235,351 3.775,352 6.051,353 3.721,354 2.756,355 3.917,357 8.469,358 2.655,359 3.894,360 3.097,361 5.731,362 3.353,363 2.368,364 3.279,366 7.146,367 2.338,368 3.762,369 2.875,370 5.292,371 3.232,372 2.312,373 3.228,375 6.727,376 2.071,377 3.466,378 2.423,379 5.096,380 2.929,381 1.973,382 2.789,384 5.921,385 1.876,386 3.024,387 2.251,388 4.694,389 2.555,390 1.615,391 2.121,393 4.399,394 1.498,395 3.011,396 2,397 4.156,398 2.233,399 1.266,400 2.013,402 3.456,403 1.222,404 2.914,405 1.898,406 3.912,407 2.202,408 1.235,409 1.832,411 3.009,412 1.156,413 2.693,414 1.379,415 3.768,416 2.068,417 1.083,418 1.646,420 2.793,421 1.065,422 2.611,423 1.176,424 3.32,425 1.791,426 0.829,427 1.249,428 1.874,429 0.795,430 2.197,431 1,432 3.111,433 1.416,434 0.481,435 0.834,436 0.89,437 0.448,438 1.854,439 0.931,440 2.802,441 1.166,442 0.225,443 0.359,445 0.43,446 0.211,447 1.251,448 0.661,449 2.744,450 0.716,451 -0.101,452 -0.13,454 -0.235,455 -0.068,456 1,457 0.574,458 2.35,459 0.376,460 -0.586,461 -0.806,463 -1.265,464 -0.563,465 13.281,466 0.474,467 0.938,468 0.033,469 42.5,470 1.518,471 24.5,472 0.875,473 18,474 0.643,475 18.71,476 0.668,477 29.319,478 0.752,479 35.208,480 1.257,481 8.35,482 0.298,483 4.884,484 0.174,485 0.222,486 0.063,487 0.316,493 0.374,494 1.168,495 0.635,496 1.122,497 0.573,498 0.837,499 0.646,500 1.117,501 0.667,502 0.794,503 0.507,504 0.735,505 0.951,506 1.244,507 1.152,508 1.236,509 0.718,510 1.057,511 1.422,512 1.05,513 1.296,514 1.144,515 1.422,516 1.151,517 0.996,518 0.943,519 0.907,520 1.038,521 1.179,522 0.958,523 0.766,524 1.115,525 1.219,526 1.232,527 0.732,528 1.169,529 0.908,530 0.705,531 0.969,532 0.782,533 0.866,534 0.939,535 1.209,536 0.84,537 0.952,538 0.873,539 1.197,540 0.971,541 7.5,542 0.153,543 4.889,544 2.542,545 1.844,546 1.379,547 0.706,548 0.441,549 0.319,550 0.255,551 9191,552 39913,553 1.964,554 28.2,556 8,557 1,558 2,564 1.711,565 1.778,566 3.432,567 -0.565,568 1,569 1,573 80.567,574 2.066,575 4.148,576 4.763,577 5.061,578 5.061,579 5.061,580 2.867,581 4.45,582 4.782,583 3.59,584 1357.2,585 8.314,586 17892.7,588 1,590 1,591 206.131,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.054,598 0.045,599 0.037,600 0.02,601 0.015,602 0.012,603 0.009,604 0.56,605 0.33,606 0.88,607 0.944,608 140.493,609 0.235,610 0.003,611 0.134,612 -0.095,613 -0.052,614 -0.03,615 0.133,616 -0.033,617 0.089,618 0.137,619 0.196,620 0.112,621 -0.148,622 -0.164,623 -0.115,624 -0.134,625 0.014,626 -0.131,627 -0.287,628 -0.109,629 -0.211,630 -0.136,631 -0.265,632 -0.183,633 0.004,634 0.044,635 0.113,636 -0.012,637 -0.192,638 0.049,639 0.369,640 -0.174,641 -0.056,642 -0.216,643 0.387,644 -0.199,645 0.034,646 0.282,647 -0.034,648 0.158,649 0.026,650 0.098,651 -0.216,652 0.044,653 0.001,654 0.157,655 -0.187,656 0.119,657 5.142,658 5.693,659 0.536,660 23.745,661 1.051,662 1.127,663 1.916,664 3.673,665 0.734,666 3.434,667 3.807,668 4.078,669 4.263,670 4.454,671 4.522,672 4.511,673 4.533,674 4.454,675 4.454,676 6.569,677 0.733,678 418.85,679 3.434,680 5.004,681 5.866,682 6.76,683 7.644,684 8.541,685 9.43,686 10.329,687 11.22,688 12.119,689 15.4,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,730 1,731 39,733 22,734 1,735 30,737 41,738 16,739 13,740 3,741 3,742 1,746 3,747 4,748 1,760 1,761 14,762 1,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 11,782 8,784 12,785 2,790 6,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 1,845 1,848 28,852 1,859 1,861 1,866 1,868 1,869 1,870 10.3,873 2,876 2,877 15.75,878 7.593,879 6.111,880 2.023,881 4.003,882 1.552,883 0.973,884 5.346,885 11.251,886 3.829,887 4.497,888 5.093,889 5.652,890 6.177,891 6.586,892 6.902,893 7.183,894 7.28,895 7.562,896 1,897 47,898 10.658,900 5.039,901 8.412,902 18.378,904 14.86,905 2.912,906 81.528,910 129.482,911 121.652,912 72.615,913 39.149,914 95.06,916 5.807,917 115.845,918 263.691,919 72.615,920 14.066,922 62.236,923 110.167,924 73.509,925 13.915,926 94.169,927 89.896,928 129.482,929 188.46,930 95.06,931 44.956,933 129.482,934 44.313,935 50.747,937 59.33,938 97.75,939 76.337,941 129.482,942 167.675,943 160.801,945 5.807,946 129.482,947 16.323,948 91.15,949 16.602,950 198.594,951 129.482,952 167.675,953 160.801,955 0.599,956 0.36,957 0.173,958 0.093,959 21,960 11,961 0.122,962 5,963 1,964 1.133,965 3.792,966 240.68,967 0.133,968 15,969 130.606,973 1,974 19.778,975 7.568,976 3.857,977 0.557,978 160.841,979 9.338,980 4.089,984 -0.125,987 457.958,988 45,990 -0.718,991 -4.226,993 47.208,995 1.256,996 3.892,999 40.971,1000 43.937,1001 0.391,1002 0.785,1003 0.901,1004 0.958,1005 0.958,1006 0.958,1007 5.088,1008 1.266,1009 5.916,1010 4.399,1011 4.489,1012 5.185,1013 3.019,1014 6.81,1015 4.382,1016 6.373,1017 1.235,1018 7.55,1019 3.456,1020 4.369,1021 5.352,1022 2.361,1023 8.107,1024 4.169,1025 7.747,1026 1.083,1027 9.299,1028 3.009,1029 6.217,1030 7.585,1031 4.585,1032 11.178,1033 5.992,1034 9.163,1035 0.829,1036 11.119,1037 2.793,1038 6.899,1039 8.56,1040 4.506,1041 13.319,1042 6.566,1043 10.614,1044 0.481,1045 12.988,1046 1.874,1047 8.303,1048 10.328,1049 6.263,1050 16.031,1051 7.934,1052 12.09,1053 0.225,1054 14.891,1055 0.89,1056 9.311,1057 11.631,1058 6.556,1059 18.475,1060 8.834,1061 13.587,1062 -0.101,1063 16.821,1064 0.43,1065 10.582,1066 13.246,1067 8.011,1068 21.105,1069 10.047,1070 3.535,1071 -0.586,1072 18.772,1073 -0.235,1074 11.724,1075 14.687,1076 8.548,1077 23.657,1078 11.085,1079 3.091,1080 13.729,1081 20.74,1082 -1.265,1083 12.961,1084 16.251,1085 9.813,1086 26.27,1087 12.247,1088 2.756,1089 10.36,1090 22.722,1091 4.803,1092 14.159,1093 17.751,1094 10.509,1095 28.861,1096 13.345,1097 2.368,1098 8.469,1099 24.714,1100 4.519,1101 15.392,1102 19.3,1103 11.655,1104 31.474,1105 14.493,1106 2.312,1107 7.146,1108 26.716,1109 3.917,1110 16.616,1111 20.826,1112 12.452,1113 34.08,1114 15.618,1115 1.973,1116 6.727,1117 28.725,1118 3.279,1119 17.854,1120 22.372,1121 13.525,1122 36.695,1123 16.764,1124 1.615,1125 5.921,1126 30.739,1127 3.228,1128 19.091,1129 23.911,1130 14.386,1131 39.308,1132 17.904,1133 9087,1134 19131,1135 18.898,1136 28.642,1137 47.367,1138 50.733,1139 48.352,1140 45.748,1141 45.538,1142 65.178,1143 9.294,1144 138.406,1145 43.109,1146 5.762,1147 6.748,1148 7.247,1149 5.522,1150 5.535,1151 7.803,1152 4.647,1153 21.878,1154 5.23,1155 17.851,1156 1.579,1157 1.691,1158 1.612,1159 1.525,1160 1.518,1161 2.173,1162 0.31,1163 4.614,1164 1.437,1165 4.141,1166 4.176,1167 4.748,1168 4.08,1169 7.815,1170 4.024,1171 4.076,1172 4.073,1173 4.088,1174 3.969,1175 7.715,1176 3.968,1177 3.788,1178 3.789,1179 3.945,1180 3.607,1181 6.999,1182 3.566,1183 3.512,1184 3.547,1185 3.645,1186 3.394,1187 6.999,1188 3.399,1189 3.412,1190 3.443,1191 3.475,1192 3.049,1193 6.82,1194 3.123,1195 3.199,1196 3.235,1197 3.194,1198 2.96,1199 5.071,1200 2.984,1201 3.059,1202 3.137,1203 3.035,1204 2.859,1205 4.885,1206 2.846,1207 2.829,1208 2.922,1209 2.918,1210 2.608,1211 4.587,1212 2.602,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.748,1221 0.087,1222 7.698,1223 0.458,1224 4.456,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.23,1231 1.969,1232 1.98,1233 1.992,1234 2.094,1235 1.182,1236 2.087,1237 1.92,1238 1.889,1239 1.955,1240 2.059,1241 1.106,1242 2.037,1243 1.597,1244 1.583,1245 1.685,1246 1.855,1247 0.777,1248 1.831,1249 1.446,1250 1.431,1251 1.562,1252 1.654,1253 0.63,1254 1.624,1255 1.177,1256 1.136,1257 1.211,1258 1.544,1259 0.424,1260 1.501,1261 1.142,1262 1.085,1263 1.202,1264 1.382,1265 0.161,1266 1.339,1267 1.045,1268 0.99,1269 1.115,1270 1.284,1271 0.131,1272 1.327,1273 0.779,1274 0.712,1275 1.05,1276 1.041,1277 0.065,1278 1.031,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.727,1285 8.654,1286 6.823,1287 10.336,1289 1.174,1290 5.916,1300 0.648,1303 9.002,1304 2.006,1305 28.583,1306 80.567,1307 161.766,1308 185.766,1309 197.376,1310 197.376,1311 197.376,1312 77.927,1313 7.248,1314 136.65,1315 145.03,1316 17,1317 12.643,1318 4.524,1319 4,1320 49.743,1321 111,1322 109,1323 0.22,1324 186.081,1325 321.42,1326 445.797,1327 13573,1328 2.6,1329 20.474,1330 0.731,1331 0.564,1332 21.224,1333 15.794,1334 13.234,1335 0.441,1336 0.313,1337 7.578,1338 11.439,1339 7.267,1340 6.027,1341 14.312,1342 9.4,1343 12.549,1344 0.285,1345 0.178,1346 14.263,1347 7.838,1348 10.623,1349 0.183,1350 0.102,1351 12.397,1352 5.916,1353 7.865,1354 0.112,1355 0.054,1356 9.385,1357 3.77,1358 6.123,1359 0.072,1360 0.029,1361 7.278,1362 2.469,1363 0.345,1364 95.841,1365 0.23,1366 26.634,1367 0.602,1368 148,1369 593.877,1370 223.079,1371 620.971,1372 810.24,1373 564,1374 176,1375 544.481,1376 258.957,1377 589.498,1378 849.71,1379 548,1380 9.301}
{0 CHEMBL1928726,1 1.94,2 11.103,3 2.618,4 6.852,5 105.743,6 9.638,7 0.516,8 3.91,9 3.992,10 3.823,11 3.438,12 5.233,13 3.448,14 4.396,15 4.516,16 4.13,17 3.789,18 5.931,19 3.808,20 4.553,21 4.667,22 4.232,23 3.933,24 6.025,25 3.937,26 4.72,27 4.855,28 4.188,29 3.909,30 6.227,31 3.907,32 4.627,33 4.787,34 4.142,35 3.816,36 6.024,37 3.802,38 4.656,39 4.814,40 4.099,41 3.713,42 6.412,43 3.733,44 4.516,45 4.71,46 3.858,47 3.637,48 5.999,49 3.622,50 4.451,51 4.64,52 3.686,53 3.598,54 5.793,55 3.553,56 0.265,57 0.718,58 6.923,59 3.786,60 26.144,61 3.461,62 0.688,63 1.057,64 12.682,65 5.605,66 94.36,67 5.336,68 0.602,69 1.242,70 17.672,71 7.432,72 60.906,73 6.377,74 1.118,75 1.289,76 21.173,77 8.12,78 149.573,79 6.864,80 0.858,81 1.199,82 24.359,83 8.372,84 119.55,85 8.063,86 1.347,87 1.14,88 22.24,89 6.995,90 208.477,91 6.99,92 0.839,93 1.04,94 18.086,95 5.933,96 86.01,97 6.202,98 0.841,99 0.884,100 20.68,101 7.229,102 135.649,103 7.411,104 59,105 45,106 0.328,107 0.702,108 0.82,109 0.865,110 0.865,111 0.865,112 3.408,113 0.914,114 -2.42,115 -2.45,116 -2.4,119 39.5,124 2,142 5,143 2,144 3,145 1,151 1,152 1,155 1,158 1,166 4,172 3,174 4,175 9,183 3,186 2,187 16,195 2,198 5,199 8,207 1,211 8,212 9,223 10,224 3,232 1,236 7,237 4,245 1,249 1,250 5,258 2,262 2,263 7,271 2,275 1330,276 19.082,277 19.082,278 19.082,279 19.082,280 19.082,281 16.462,282 16.249,283 10.794,284 19.576,285 15.084,286 15.084,287 15.084,288 15.084,289 15.084,290 10.802,291 13.591,292 4.865,293 15.821,294 3.486,295 1.282,296 0.584,297 0.314,298 0.314,299 0.314,300 4.081,304 1,305 1,306 674,307 4.416,310 70.046,311 189.259,314 129.555,318 1.562,319 52.602,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 1,329 0.63,330 66,331 322,332 4.962,333 4.744,334 7.702,335 4.464,336 3.539,337 4.805,338 2.612,339 13.768,340 3.247,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.239,351 3.775,352 6.093,353 3.734,354 2.764,355 3.92,356 0.86,357 8.593,358 2.677,359 3.894,360 3.097,361 5.783,362 3.362,363 2.398,364 3.286,366 7.508,367 2.34,368 3.805,369 2.809,370 5.293,371 3.321,372 2.347,373 3.258,375 6.731,376 2.246,377 3.468,378 2.42,379 5.099,380 2.936,381 1.979,382 2.789,384 5.929,385 1.89,386 3.024,387 2.252,388 4.822,389 2.584,390 1.641,391 2.122,393 4.565,394 1.537,395 3.013,396 2.013,397 4.163,398 2.267,399 1.293,400 2.058,402 3.477,403 1.255,404 2.948,405 1.898,406 3.965,407 2.232,408 1.26,409 1.836,411 3.1,412 1.222,413 2.698,414 1.388,415 3.77,416 2.07,417 1.084,418 1.648,420 2.796,421 1.067,422 2.612,423 1.186,424 3.32,425 1.792,426 0.829,427 1.25,428 1.875,429 0.796,430 2.197,431 1.051,432 3.126,433 1.428,434 0.527,435 0.837,436 0.924,437 0.467,438 1.857,439 1,440 2.895,441 1.382,442 0.471,443 0.6,445 0.803,446 0.43,447 1.719,448 0.925,449 2.776,450 1.163,451 0.221,452 0.351,454 0.422,455 0.207,456 1,457 0.625,458 2.536,459 0.455,460 -0.466,461 -0.587,463 -0.921,464 -0.42,465 13.4,466 0.462,467 0.9,468 0.031,469 43.75,470 1.509,471 25,472 0.862,473 18.75,474 0.647,475 19.165,476 0.661,477 31,478 0.721,479 37.503,480 1.293,481 8.762,482 0.302,483 5.01,484 0.173,485 0.204,486 0.062,487 0.313,493 0.448,494 1.246,495 0.717,496 1.261,497 0.571,498 0.925,499 0.807,500 1.059,501 0.728,502 0.788,503 0.524,504 0.693,505 0.948,506 1.286,507 1.237,508 1.347,509 0.71,510 1.046,511 1.325,512 1.079,513 1.26,514 1.095,515 1.382,516 1.123,517 0.932,518 1.068,519 1.236,520 1.319,521 1.113,522 1.102,523 1.018,524 1.01,525 1.005,526 0.918,527 0.977,528 0.98,529 0.97,530 0.765,531 1.07,532 0.839,533 0.887,534 1,535 1.29,536 0.742,537 1.032,538 0.815,539 1.39,540 0.914,541 7.5,542 0.173,543 4.889,544 2.542,545 2.044,546 1.497,547 0.788,548 0.441,549 0.319,550 0.255,551 9958,552 40032,553 1.965,554 32.6,556 11,557 1,558 2,564 1.721,565 1.785,566 3.437,567 -0.58,568 1,569 1,573 83.42,574 1.94,575 4.144,576 4.842,577 5.112,578 5.112,579 5.112,580 2.86,581 4.418,582 4.832,583 3.602,584 1462.39,585 8.422,586 19767,588 1,590 1,591 233.329,592 1.713,593 4.748,594 0.242,595 0.007,596 0.109,597 0.052,598 0.046,599 0.037,600 0.02,601 0.014,602 0.011,603 0.009,604 0.546,605 0.33,606 0.88,607 1.001,608 146.998,609 0.206,610 -0.05,611 0.208,612 -0.128,613 -0.057,614 -0.046,615 0.068,616 0.019,617 0.155,618 0.208,619 0.185,620 0.206,621 -0.131,622 -0.164,623 -0.174,624 -0.202,625 0.025,626 -0.125,627 -0.204,628 -0.096,629 -0.238,630 -0.075,631 -0.241,632 -0.195,633 0.035,634 -0.063,635 -0.032,636 -0.183,637 -0.131,638 -0.085,639 0.205,640 -0.088,641 0.024,642 0.028,643 0.242,644 -0.028,645 -0.033,646 0.234,647 -0.104,648 0.054,649 0.014,650 -0.036,651 -0.221,652 0.085,653 0.036,654 0.204,655 -0.233,656 0.203,657 5.147,658 5.856,659 0.517,660 25.375,661 1.043,662 1.131,663 1.193,664 1.423,665 0.698,666 3.466,667 3.829,668 4.111,669 4.304,670 4.511,671 4.585,672 4.585,673 4.554,674 4.511,675 4.511,676 6.651,677 0.698,678 414.44,679 3.466,680 5.03,681 5.894,682 6.788,683 7.675,684 8.572,685 9.464,686 10.363,687 11.258,688 12.157,689 14,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,729 1,731 43,733 22,734 1,735 31,737 45,738 17,739 13,740 3,741 3,742 1,746 3,747 4,760 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 9,784 12,785 1,790 6,794 0.667,795 5,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 29,852 1,856 1,859 1,861 1,866 1,868 1,870 11.6,873 2,875 1,876 2,877 16.25,878 8.617,879 6.444,880 2.195,881 4.02,882 1.549,883 0.96,884 5.623,885 11.341,886 3.85,887 4.508,888 5.111,889 5.673,890 6.206,891 6.613,892 6.947,893 7.191,894 7.312,895 7.58,896 1,897 49,898 11.037,900 5.145,901 8.359,902 19.126,904 15.27,905 2.859,906 82.917,909 1,910 164.795,911 134.278,912 72.615,914 106.06,916 5.807,917 128.471,918 270.855,919 72.615,920 24.949,922 62.236,923 110.167,924 86.252,925 13.915,926 129.482,927 50.747,928 164.795,929 201.086,930 106.06,931 5.807,933 164.795,934 55.313,935 50.747,937 59.33,938 110.376,939 37.188,941 164.795,942 178.675,943 134.278,945 5.807,946 164.795,947 18.066,948 102.033,949 16.602,950 170.445,951 164.795,952 178.675,953 134.278,955 0.592,956 0.361,957 0.178,958 0.098,959 21,960 11,961 0.133,962 6,963 1,964 1.133,965 3.857,966 253.088,967 0.133,968 15,969 136.881,973 1,974 20.436,975 7.979,976 3.959,977 0.562,978 171.841,979 9.505,980 4.104,984 0.061,987 477.749,988 46,990 -0.701,991 -4.231,993 47.716,995 1.269,996 3.929,999 44.858,1000 48.618,1001 0.358,1002 0.764,1003 0.892,1004 0.942,1005 0.942,1006 0.942,1007 5.106,1008 1.293,1009 5.938,1010 4.565,1011 4.511,1012 5.196,1013 3.089,1014 6.832,1015 4.418,1016 6.385,1017 1.26,1018 7.57,1019 3.477,1020 4.369,1021 5.352,1022 2.361,1023 8.129,1024 4.206,1025 7.757,1026 1.084,1027 9.318,1028 3.1,1029 6.236,1030 7.592,1031 4.596,1032 11.202,1033 6.032,1034 9.172,1035 0.829,1036 11.137,1037 2.796,1038 6.909,1039 8.565,1040 4.506,1041 13.341,1042 6.611,1043 10.623,1044 0.527,1045 13.005,1046 1.875,1047 8.32,1048 10.333,1049 6.265,1050 16.054,1051 7.976,1052 12.099,1053 0.471,1054 14.907,1055 0.924,1056 9.324,1057 11.636,1058 6.556,1059 18.498,1060 8.88,1061 13.595,1062 0.221,1063 16.836,1064 0.803,1065 10.597,1066 13.251,1067 8.011,1068 21.129,1069 10.092,1070 3.539,1071 -0.466,1072 18.787,1073 0.422,1074 11.737,1075 14.691,1076 8.548,1077 23.683,1078 11.133,1079 3.091,1080 13.768,1081 20.754,1082 -0.921,1083 12.975,1084 16.256,1085 9.813,1086 26.298,1087 12.296,1088 2.764,1089 10.36,1090 22.735,1091 4.805,1092 14.173,1093 17.755,1094 10.509,1095 28.892,1096 13.397,1097 2.398,1098 8.593,1099 24.727,1100 4.519,1101 15.407,1102 19.305,1103 11.655,1104 31.507,1105 14.547,1106 2.347,1107 7.508,1108 26.729,1109 3.92,1110 16.631,1111 20.831,1112 12.452,1113 34.116,1114 15.677,1115 1.979,1116 6.731,1117 28.737,1118 3.286,1119 17.87,1120 22.377,1121 13.525,1122 36.733,1123 16.827,1124 1.641,1125 5.929,1126 30.752,1127 3.258,1128 19.108,1129 23.916,1130 14.386,1131 39.349,1132 17.971,1133 9868,1134 19971,1135 19.592,1136 30,1137 48.448,1138 51.85,1139 49.69,1140 46.851,1141 46.89,1142 66.56,1143 11.014,1144 141.701,1145 44.744,1146 5.772,1147 6.744,1148 7.252,1149 5.532,1150 5.539,1151 7.805,1152 4.647,1153 21.955,1154 5.247,1155 18.317,1156 1.563,1157 1.673,1158 1.603,1159 1.511,1160 1.513,1161 2.147,1162 0.355,1163 4.571,1164 1.443,1165 4.143,1166 4.176,1167 4.742,1168 4.072,1169 7.815,1170 4.022,1171 4.077,1172 4.075,1173 4.088,1174 3.968,1175 7.715,1176 3.965,1177 3.788,1178 3.789,1179 3.879,1180 3.603,1181 6.999,1182 3.566,1183 3.518,1184 3.552,1185 3.48,1186 3.394,1187 6.999,1188 3.399,1189 3.449,1190 3.477,1191 3.431,1192 3.072,1193 6.82,1194 3.148,1195 3.219,1196 3.277,1197 3.189,1198 2.968,1199 5.071,1200 2.99,1201 3.147,1202 3.205,1203 2.964,1204 2.863,1205 4.806,1206 2.861,1207 3.058,1208 3.135,1209 2.917,1210 2.815,1211 4.586,1212 2.833,1213 0.16,1214 0.153,1215 0.248,1216 0.144,1217 0.114,1218 4.962,1219 0.155,1220 4.744,1221 0.084,1222 7.702,1223 0.444,1224 4.464,1225 0.105,1226 3.539,1227 4.805,1228 2.612,1229 13.768,1230 3.247,1231 1.969,1232 1.979,1233 1.992,1234 2.103,1235 1.184,1236 2.093,1237 1.92,1238 1.889,1239 1.971,1240 2.059,1241 1.106,1242 2.038,1243 1.597,1244 1.583,1245 1.685,1246 1.856,1247 0.778,1248 1.831,1249 1.446,1250 1.431,1251 1.576,1252 1.688,1253 0.63,1254 1.634,1255 1.254,1256 1.208,1257 1.562,1258 1.586,1259 0.575,1260 1.583,1261 1.149,1262 1.087,1263 1.211,1264 1.439,1265 0.424,1266 1.44,1267 1.095,1268 1.018,1269 1.197,1270 1.38,1271 0.153,1272 1.338,1273 1.018,1274 0.962,1275 1.114,1276 1.281,1277 0.131,1278 1.318,1279 4.143,1281 5.493,1282 2.398,1283 7.041,1284 4.727,1285 8.677,1286 6.823,1287 10.36,1289 2.45,1297 5.026,1300 0.673,1303 9.026,1304 2.013,1305 29.997,1306 83.42,1307 178.21,1308 208.21,1309 219.82,1310 219.82,1311 219.82,1312 79.93,1313 7.321,1314 145.88,1315 154.26,1316 17,1317 12.681,1318 4.524,1319 4,1320 52.453,1321 116,1322 117,1323 0.221,1324 191.337,1325 332.3,1326 458.621,1327 14872,1329 21.181,1330 0.73,1331 0.554,1332 21.431,1333 16.068,1334 13.772,1335 0.444,1336 0.305,1337 7.93,1338 12.105,1339 7.61,1340 6.354,1341 14.561,1342 9.445,1343 12.74,1344 0.283,1345 0.17,1346 14.083,1347 7.651,1348 10.945,1349 0.182,1350 0.095,1351 12.307,1352 5.688,1353 8.139,1354 0.111,1355 0.05,1356 9.181,1357 3.628,1358 6.479,1359 0.072,1360 0.027,1361 7.444,1362 2.431,1363 0.346,1364 97.009,1365 0.226,1366 27.382,1367 0.608,1368 152,1369 615.409,1370 214.438,1371 605.155,1372 799.22,1373 552,1374 181,1375 558.164,1376 252.531,1377 593.449,1378 853.7,1379 550,1380 9.097}
{0 CHEMBL1928727,1 1.891,2 11.167,3 2.796,4 7.819,5 113.708,6 9.096,7 0.5,8 3.981,9 4.081,10 3.846,11 3.504,12 5.257,13 3.499,14 4.481,15 4.635,16 4.161,17 3.869,18 5.948,19 3.871,20 4.651,21 4.784,22 4.26,23 4.046,24 6.062,25 4.022,26 4.857,27 5.034,28 4.254,29 4.061,30 6.231,31 4.018,32 4.785,33 4.958,34 4.228,35 3.984,36 6.131,37 3.938,38 4.839,39 5.031,40 4.162,41 3.861,42 6.483,43 3.859,44 4.673,45 4.877,46 3.95,47 3.781,48 6.127,49 3.754,50 4.66,51 4.879,52 3.729,53 3.731,54 5.953,55 3.659,56 0.247,57 0.797,58 8.847,59 4.037,60 19.94,61 4.253,62 0.633,63 1.188,64 16.081,65 5.881,66 85.212,67 6.668,68 0.513,69 1.411,70 20.615,71 8.165,72 47.076,73 8.408,74 0.955,75 1.504,76 28.53,77 9.793,78 129.314,79 10.35,80 0.815,81 1.417,82 32.411,83 10.379,84 108.542,85 10.747,86 1.4,87 1.347,88 29.667,89 7.998,90 224.899,91 9.14,92 0.866,93 1.199,94 22.135,95 6.668,96 78.53,97 7.711,98 0.951,99 1.033,100 28.061,101 8.768,102 160.872,103 9.888,104 74,105 47,106 0.315,107 0.66,108 0.755,109 0.826,110 0.833,111 0.833,112 3.441,113 0.933,114 -2.66,115 -2.68,116 -2.61,119 38.3,124 3,142 5,143 2,144 3,145 1,151 1,152 1,155 1,158 1,166 4,172 3,174 4,175 9,183 3,186 2,187 16,195 2,198 5,199 8,207 1,211 8,212 9,223 10,224 3,232 1,236 7,237 4,245 1,249 1,250 5,258 2,262 2,263 7,271 2,275 1458,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 16.823,282 17.984,283 10.955,284 19.846,285 15.63,286 15.63,287 15.63,288 15.63,289 15.63,290 11.384,291 17.173,292 5.015,293 16.343,294 3.664,295 1.593,296 1.024,297 0.601,298 0.559,299 0.559,300 4.112,304 1,305 1,306 699,307 4.637,310 72.695,311 196.774,314 134.522,318 1.578,319 51.01,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 1,329 0.63,330 67.5,331 335,332 4.968,333 4.743,334 7.712,335 4.475,336 3.549,337 4.809,338 2.612,339 13.825,340 3.262,341 4.562,342 4.058,343 6.547,344 4.059,345 3.091,346 4.519,347 2.035,348 10.36,349 2.991,350 4.249,351 3.775,352 6.282,353 3.775,354 2.808,355 3.926,356 0.8,357 9.065,358 2.716,359 3.923,360 3.097,361 5.875,362 3.515,363 2.565,364 3.357,366 7.966,367 2.433,368 3.89,369 2.934,370 5.296,371 3.348,372 2.357,373 3.272,375 6.734,376 2.335,377 3.473,378 2.448,379 5.162,380 2.951,381 1.996,382 2.791,384 5.945,385 1.9,386 3.086,387 2.282,388 5.069,389 2.696,390 1.753,391 2.214,393 5.026,394 1.641,395 3.024,396 2.073,397 4.219,398 2.422,399 1.451,400 2.118,402 3.653,403 1.406,404 3.004,405 1.899,406 4.102,407 2.233,408 1.263,409 1.843,411 3.347,412 1.222,413 2.712,414 1.434,415 3.776,416 2.073,417 1.089,418 1.656,420 2.802,421 1.07,422 2.617,423 1.284,424 3.625,425 1.977,426 1,427 1.348,428 2.435,429 0.975,430 2.397,431 1.157,432 3.319,433 1.79,434 0.827,435 1.246,436 1.873,437 0.795,438 2.195,439 1,440 3.102,441 1.416,442 0.479,443 0.832,445 0.886,446 0.447,447 1.853,448 0.927,449 2.793,450 1.165,451 0.223,452 0.355,454 0.426,455 0.209,456 1,457 0.626,458 2.721,459 0.556,460 -0.399,461 -0.52,463 -1.038,464 -0.376,465 13.967,466 0.466,467 1.027,468 0.034,469 44.5,470 1.483,471 25,472 0.833,473 19.5,474 0.65,475 21.267,476 0.709,477 32.233,478 0.686,479 39.102,480 1.303,481 8.855,482 0.295,483 5.29,484 0.176,485 0.232,486 0.06,487 0.329,493 0.383,494 1.362,495 0.731,496 1.276,497 0.555,498 0.965,499 0.7,500 1.014,501 0.695,502 0.722,503 0.469,504 0.643,505 0.869,506 1.339,507 1.212,508 1.359,509 0.663,510 1.114,511 1.228,512 1.021,513 1.156,514 1.065,515 1.27,516 1.052,517 0.972,518 1.15,519 1.405,520 1.506,521 1.084,522 1.172,523 1.217,524 0.95,525 1.01,526 0.836,527 1.195,528 0.916,529 1.085,530 0.808,531 1.089,532 0.885,533 0.915,534 1.036,535 1.478,536 0.686,537 1.016,538 0.725,539 1.557,540 0.851,541 8,542 0.209,543 5.111,544 2.792,545 2.244,546 1.67,547 0.91,548 0.441,549 0.344,550 0.29,551 10729,552 40151,553 1.948,554 36.2,556 14,557 1,558 2,564 1.731,565 1.756,566 3.43,567 -0.594,568 1,569 1,573 88.869,574 1.891,575 3.961,576 4.53,577 4.953,578 4.996,579 4.996,580 2.845,581 4.415,582 4.881,583 3.609,584 1570.1,585 8.525,586 21688.1,588 1,590 1,591 261.066,592 1.731,593 4.788,594 0.25,595 0.007,596 0.109,597 0.055,598 0.048,599 0.037,600 0.022,601 0.013,602 0.012,603 0.009,604 0.561,605 0.33,606 0.88,607 1.004,608 153.465,609 0.249,610 -0.13,611 0.212,612 -0.133,613 -0.054,614 -0.054,615 0.13,616 0.099,617 0.203,618 0.264,619 0.219,620 0.272,621 -0.087,622 -0.198,623 -0.17,624 -0.213,625 0.045,626 -0.167,627 -0.168,628 -0.037,629 -0.09,630 -0.016,631 -0.191,632 -0.074,633 0.025,634 -0.128,635 -0.117,636 -0.285,637 -0.095,638 -0.15,639 0.094,640 -0.038,641 0.007,642 0.075,643 0.127,644 0.016,645 -0.061,646 0.193,647 -0.162,648 -0.012,649 0.011,650 -0.118,651 -0.263,652 0.096,653 0.044,654 0.272,655 -0.268,656 0.237,657 5.097,658 6.055,659 0.5,660 26.907,661 1.032,662 1.135,663 1.43,664 2.046,665 0.688,666 3.497,667 3.871,668 4.143,669 4.344,670 4.564,671 4.644,672 4.654,673 4.575,674 4.564,675 4.564,676 6.715,677 0.677,678 427.49,679 3.497,680 5.069,681 5.932,682 6.83,683 7.718,684 8.619,685 9.514,686 10.416,687 11.314,688 12.217,689 14.9,692 1,695 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,726 1,731 47,733 22,734 1,735 32,737 49,738 18,739 13,740 3,741 3,742 1,746 3,747 4,760 1,761 14,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 17,782 9,784 12,785 1,790 7,794 0.667,795 4,803 1,805 1,811 1,812 2,815 1,840 2,842 1,844 3,848 30,852 1,859 2,861 1,866 1,868 1,870 8.5,873 2,876 2,877 17.083,878 9.65,879 6.556,880 2.437,881 4.033,882 1.546,883 0.961,884 5.86,885 11.423,886 3.871,887 4.53,888 5.129,889 5.693,890 6.234,891 6.64,892 6.989,893 7.199,894 7.342,895 7.598,896 1,897 51,898 11.405,900 5.265,901 8.281,902 20.006,904 16.025,905 2.781,906 83.417,909 1,910 200.109,911 137.701,912 75.74,914 95.06,916 5.807,917 131.894,918 295.169,919 75.74,920 30.859,922 62.236,923 110.167,924 75.889,925 13.915,926 164.795,927 50.747,928 200.109,929 207.634,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 59.33,938 116.923,939 37.188,941 200.109,942 170.8,943 137.701,945 5.807,946 200.109,947 15.58,948 111.067,949 16.602,950 159.445,951 200.109,952 170.8,953 137.701,955 0.599,956 0.357,957 0.174,958 0.099,959 22,960 12,961 0.122,962 6,963 1,964 1.133,965 3.897,966 266.927,967 0.133,968 15,969 141.207,973 1,974 21.411,975 8.211,976 4.197,977 0.577,978 163.966,979 9.916,980 4.127,984 0.625,987 508.61,988 47,990 -0.659,991 -4.18,993 48.331,995 1.299,996 3.991,999 48.516,1000 53.322,1001 0.34,1002 0.713,1003 0.816,1004 0.892,1005 0.899,1006 0.899,1007 5.136,1008 1.451,1009 5.984,1010 5.026,1011 4.554,1012 5.218,1013 3.065,1014 6.882,1015 4.465,1016 6.417,1017 1.263,1018 7.62,1019 3.653,1020 4.443,1021 5.38,1022 2.396,1023 8.177,1024 4.277,1025 7.787,1026 1.089,1027 9.371,1028 3.347,1029 6.282,1030 7.606,1031 4.59,1032 11.254,1033 6.083,1034 9.202,1035 1,1036 11.191,1037 2.802,1038 6.967,1039 8.58,1040 4.51,1041 13.386,1042 6.674,1043 10.651,1044 0.827,1045 13.058,1046 2.435,1047 8.368,1048 10.345,1049 6.264,1050 16.101,1051 8.031,1052 12.126,1053 0.479,1054 14.96,1055 1.873,1056 9.375,1057 11.648,1058 6.556,1059 18.541,1060 8.94,1061 13.621,1062 0.223,1063 16.887,1064 0.886,1065 10.644,1066 13.261,1067 8.011,1068 21.174,1069 10.149,1070 3.549,1071 -0.399,1072 18.835,1073 0.426,1074 11.784,1075 14.701,1076 8.548,1077 23.727,1078 11.192,1079 3.091,1080 13.825,1081 20.8,1082 -1.038,1083 13.02,1084 16.265,1085 9.813,1086 26.345,1087 12.354,1088 2.808,1089 10.36,1090 22.779,1091 4.809,1092 14.217,1093 17.764,1094 10.509,1095 28.94,1096 13.457,1097 2.565,1098 9.065,1099 24.768,1100 4.519,1101 15.451,1102 19.314,1103 11.655,1104 31.559,1105 14.608,1106 2.357,1107 7.966,1108 26.767,1109 3.926,1110 16.676,1111 20.84,1112 12.452,1113 34.171,1114 15.74,1115 1.996,1116 6.734,1117 28.774,1118 3.357,1119 17.915,1120 22.387,1121 13.525,1122 36.792,1123 16.891,1124 1.753,1125 5.945,1126 30.787,1127 3.272,1128 19.154,1129 23.926,1130 14.386,1131 39.412,1132 18.037,1133 10657,1134 20811,1135 19.997,1136 32.313,1137 50.778,1138 53.79,1139 51.796,1140 48.926,1141 48.902,1142 68.573,1143 10.894,1144 148.687,1145 46.804,1146 5.783,1147 6.743,1148 7.261,1149 5.544,1150 5.549,1151 7.809,1152 4.647,1153 22.095,1154 5.262,1155 19.97,1156 1.587,1157 1.681,1158 1.619,1159 1.529,1160 1.528,1161 2.143,1162 0.34,1163 4.646,1164 1.463,1165 4.146,1166 4.178,1167 4.742,1168 4.08,1169 7.815,1170 4.027,1171 4.081,1172 4.089,1173 4.088,1174 3.969,1175 7.715,1176 3.97,1177 3.789,1178 3.79,1179 3.886,1180 3.611,1181 6.999,1182 3.568,1183 3.57,1184 3.639,1185 3.507,1186 3.394,1187 6.999,1188 3.399,1189 3.497,1190 3.533,1191 3.471,1192 3.252,1193 6.82,1194 3.284,1195 3.288,1196 3.354,1197 3.197,1198 2.98,1199 5.071,1200 3.013,1201 3.184,1202 3.222,1203 3.12,1204 2.889,1205 4.665,1206 2.943,1207 3.058,1208 3.135,1209 2.918,1210 2.85,1211 4.58,1212 2.843,1213 0.155,1214 0.148,1215 0.241,1216 0.14,1217 0.111,1218 4.968,1219 0.15,1220 4.743,1221 0.082,1222 7.712,1223 0.432,1224 4.475,1225 0.102,1226 3.549,1227 4.809,1228 2.612,1229 13.825,1230 3.262,1231 1.984,1232 1.987,1233 2,1234 2.113,1235 1.218,1236 2.107,1237 1.921,1238 1.889,1239 1.99,1240 2.059,1241 1.107,1242 2.038,1243 1.599,1244 1.585,1245 1.725,1246 1.859,1247 0.818,1248 1.833,1249 1.452,1250 1.431,1251 1.684,1252 1.777,1253 0.755,1254 1.753,1255 1.44,1256 1.362,1257 1.562,1258 1.619,1259 0.63,1260 1.617,1261 1.152,1262 1.089,1263 1.417,1264 1.489,1265 0.469,1266 1.459,1267 1.113,1268 1.049,1269 1.211,1270 1.381,1271 0.424,1272 1.338,1273 1.024,1274 0.976,1275 1.192,1276 1.281,1277 0.155,1278 1.318,1279 4.174,1281 5.533,1282 2.398,1283 7.084,1284 4.727,1285 8.721,1286 6.823,1287 10.407,1289 4.501,1300 2.277,1303 9.056,1304 2.026,1305 31.83,1306 88.869,1307 186.172,1308 212.927,1309 232.801,1310 234.801,1311 234.801,1312 84.529,1313 7.39,1314 139.89,1315 148.27,1316 17,1317 12.738,1318 4.524,1319 4,1320 55.243,1321 121,1322 125,1323 0.223,1324 203.727,1325 351.81,1326 488.854,1327 16173,1329 22.052,1330 0.735,1331 0.57,1332 22.302,1333 17.107,1334 14.145,1335 0.442,1336 0.311,1337 8.44,1338 12.515,1339 8.039,1340 6.752,1341 14.934,1342 9.951,1343 13.48,1344 0.287,1345 0.178,1346 14.822,1347 8.363,1348 11.187,1349 0.18,1350 0.096,1351 12.538,1352 5.974,1353 8.353,1354 0.11,1355 0.052,1356 9.405,1357 3.949,1358 6.735,1359 0.071,1360 0.029,1361 7.785,1362 2.709,1363 0.348,1364 98.874,1365 0.224,1366 28.104,1367 0.616,1368 158,1369 597.318,1370 219.308,1371 595.555,1372 789.22,1373 542,1374 188,1375 555.731,1376 258.596,1377 594.432,1378 853.87,1379 550,1380 8.658}
{0 CHEMBL1928728,1 1.733,2 11.074,3 2.893,4 8.368,5 100.346,6 8.839,7 0.552,8 3.841,9 3.949,10 3.546,11 3.372,12 5.19,13 3.391,14 4.299,15 4.448,16 3.888,17 3.729,18 5.684,19 3.747,20 4.481,21 4.632,22 3.965,23 3.854,24 5.862,25 3.859,26 4.612,27 4.792,28 3.879,29 3.796,30 5.986,31 3.788,32 4.512,33 4.719,34 3.788,35 3.647,36 5.841,37 3.648,38 4.413,39 4.594,40 3.766,41 3.584,42 6.002,43 3.587,44 4.47,45 4.706,46 3.561,47 3.523,48 5.843,49 3.488,50 4.192,51 4.38,52 3.439,53 3.456,54 5.479,55 3.422,56 0.197,57 0.663,58 5.477,59 3.127,60 8.964,61 3.544,62 0.375,63 0.988,64 11.242,65 4.83,66 53.305,67 5.701,68 0.361,69 1.154,70 12.935,71 5.817,72 31.927,73 6.594,74 0.594,75 1.191,76 18.166,77 6.75,78 89.004,79 7.502,80 0.631,81 1.061,82 18.688,83 6.082,84 88.751,85 7.266,86 0.62,87 0.998,88 14.426,89 5.105,90 84.225,91 6.138,92 0.735,93 0.941,94 20.131,95 5.832,96 98.912,97 7.328,98 0.401,99 0.746,100 13.231,101 5.179,102 64.527,103 6.025,104 41,105 41,106 0.297,107 0.688,108 0.822,109 0.87,110 0.87,111 0.87,112 3.34,113 0.812,114 -3.78,115 -3.74,116 -3.56,119 43.9,120 1,124 1,142 5,143 4,144 1,145 1,151 1,152 1,155 1,158 2,166 4,172 7,174 2,175 10,183 8,186 1,187 17,195 5,198 2,199 13,207 1,211 5,212 11,220 1,223 6,224 5,232 2,236 5,237 4,245 3,249 1,250 6,258 4,263 7,271 5,275 1083,276 17.87,277 17.87,278 17.87,279 17.87,280 17.87,281 15.37,282 16.882,283 10.233,284 18.093,285 14.162,286 14.162,287 14.162,288 14.162,289 14.162,290 10.183,291 14.545,292 4.715,293 14.506,294 3.625,295 1.344,296 0.564,297 0.281,298 0.281,299 0.281,300 4.015,303 1,304 1,305 1,306 630,307 3.937,310 64.255,311 173.78,314 118.769,318 1.564,319 37.494,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 60,331 299,332 4.563,333 4.058,334 6.574,335 4.086,336 3.104,337 4.519,338 2.612,339 10.365,340 3.067,341 4.441,342 3.791,343 6.544,344 4.051,345 3.07,346 4.127,347 2.035,348 10.234,349 2.99,350 4.086,351 3.675,352 5.9,353 3.621,354 2.652,355 3.594,356 1.058,357 8.071,358 2.565,359 3.894,360 3.094,361 5.477,362 3.357,363 2.368,364 3.276,366 6.784,367 2.342,368 3.641,369 2.697,370 5.288,371 3.246,372 2.27,373 2.92,375 6.62,376 2.211,377 3.403,378 2.395,379 5.088,380 2.905,381 1.938,382 2.704,384 5.874,385 1.868,386 3.024,387 2.201,388 4.365,389 2.499,390 1.505,391 2.068,393 3.997,394 1.491,395 2.951,396 1.906,397 4.142,398 2.237,399 1.266,400 2.001,402 3.448,403 1.234,404 2.902,405 1.857,406 3.802,407 2.23,408 1.234,409 1.832,411 2.91,412 1.223,413 2.687,414 1.331,415 3.564,416 1.909,417 0.931,418 1.434,420 2.204,421 0.903,422 2.493,423 1.318,424 3.277,425 1.736,426 0.731,427 1.148,428 1.697,429 0.731,430 2.136,431 1.067,432 2.908,433 1.4,434 0.452,435 0.769,436 0.81,437 0.427,438 1.804,439 1,440 2.767,441 1.156,442 0.204,443 0.314,445 0.4,446 0.194,447 1.242,448 0.644,449 2.366,450 0.865,451 -0.151,452 -0.198,454 -0.338,455 -0.152,456 1,457 0.343,458 2.308,459 0.376,460 -0.587,461 -0.807,463 -1.265,464 -0.564,465 12.4,466 0.459,467 0.771,468 0.029,469 40.25,470 1.491,471 23,472 0.852,473 17.25,474 0.639,475 17.472,476 0.647,477 27.8,478 0.678,479 32.01,480 1.186,481 8.198,482 0.304,483 4.703,484 0.174,485 0.194,487 0.379,493 0.393,494 1.105,495 0.601,496 0.977,497 0.48,498 0.88,499 0.633,500 1.101,501 0.656,502 0.847,503 0.436,504 0.759,505 0.85,506 1.224,507 0.935,508 1.15,509 0.628,510 1.068,511 1.276,512 1.158,513 1.197,514 1.173,515 1.268,516 1.173,517 1.16,518 0.886,519 0.996,520 0.879,521 1.183,522 0.896,523 0.809,524 1.16,525 1.054,526 1.152,527 0.706,528 1.153,529 1.156,530 0.63,531 1.117,532 0.71,533 1.146,534 0.859,535 1.135,536 0.808,537 1.007,538 0.909,539 1.156,540 0.947,541 6,542 0.153,543 4,544 2.042,545 1.627,546 1.094,547 0.598,548 0.338,549 0.258,550 0.219,551 8668,552 31559,553 1.992,554 34.1,555 3,556 8,557 1,558 2,564 1.7,565 1.82,566 3.45,567 -0.659,568 1,569 1,573 71.033,574 1.733,575 4.013,576 4.794,577 5.077,578 5.077,579 5.077,580 2.876,581 4.459,582 4.73,583 3.604,584 1265.09,585 8.202,586 16511,587 1,588 1,590 1,591 219.66,592 1.541,593 4.659,594 0.207,595 0.007,596 0.098,597 0.047,598 0.044,599 0.032,600 0.019,601 0.013,602 0.01,603 0.009,604 0.486,605 0.33,606 1,607 0.936,608 134.67,609 0.237,610 0.042,611 0.067,612 -0.012,613 0.007,614 -0.033,615 0.096,616 -0.026,617 0.15,618 0.126,619 0.151,620 0.157,621 -0.091,622 -0.163,623 -0.122,624 -0.183,625 0.026,626 -0.156,627 -0.227,628 -0.193,629 -0.224,630 -0.205,631 -0.21,632 -0.216,633 -0.081,634 0.063,635 0.061,636 0.083,637 -0.147,638 0.098,639 0.207,640 -0.147,641 -0.092,642 -0.224,643 0.238,644 -0.23,645 -0.029,646 0.271,647 0.034,648 0.265,649 -0.051,650 0.192,651 -0.141,652 0.079,653 0.009,654 0.148,655 -0.139,656 0.115,657 2.55,658 5.59,659 0.556,660 22.716,661 1.027,662 1.129,663 2.551,664 6.509,665 0.694,666 3.401,667 3.738,668 4.007,669 4.205,670 4.407,671 4.454,672 4.443,673 4.454,674 4.382,675 4.394,676 6.633,677 0.692,678 362.38,679 3.401,680 4.949,681 5.802,682 6.678,683 7.551,684 8.431,685 9.308,686 10.189,687 11.069,688 11.95,689 14.6,696 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 41,733 21,734 1,735 29,737 43,738 18,739 13,740 3,741 3,742 2,746 3,747 4,749 1,752 1,760 1,761 15,762 2,766 4,768 1,771 3,773 1,774 1,775 1,777 1,778 1,781 14,782 7,784 9,790 6,794 0.667,795 3,803 1,805 1,811 1,812 2,815 1,840 2,844 2,848 27,859 1,861 1,866 1,868 1,870 7.3,873 1,876 2,877 14.833,878 8.367,879 6,880 2.261,881 4.026,882 1.559,883 0.961,884 4.981,885 11.228,886 3.784,887 4.404,888 5.03,889 5.594,890 6.13,891 6.514,892 6.832,893 7.096,894 7.197,895 7.474,896 1,897 43,898 9.904,900 4.228,901 8.21,902 17.944,904 14.129,905 2.71,906 73.167,909 1,910 164.795,911 130.695,912 74.221,914 75.892,917 130.695,918 240.687,919 74.221,920 22.892,921 3.002,922 56.429,923 95.704,924 73.433,925 13.915,926 129.482,927 50.747,928 164.795,929 204.916,930 75.892,933 164.795,934 25.145,935 50.747,937 69.761,938 103.775,939 31.38,941 164.795,942 150.113,943 130.695,946 164.795,947 22.348,948 101.581,949 16.602,950 140.277,951 164.795,952 150.113,953 130.695,955 0.589,956 0.353,957 0.175,958 0.097,959 19,960 10,961 0.093,962 4,963 1,964 1.133,965 3.796,966 224.258,967 0.133,968 15,969 126.382,974 18.252,975 7.368,976 3.69,977 0.671,978 143.279,979 10.642,980 4.158,984 1.766,987 445.603,988 43,990 -0.55,993 34.457,995 1.452,996 4.117,997 -0.471,999 42.127,1000 46.279,1001 0.323,1002 0.749,1003 0.895,1004 0.948,1005 0.948,1006 0.948,1007 5.024,1008 1.266,1009 5.808,1010 3.997,1011 4.419,1012 5.091,1013 3.123,1014 6.632,1015 4.374,1016 6.273,1017 1.234,1018 7.39,1019 3.448,1020 4.111,1021 5.017,1022 2.361,1023 7.582,1024 4.05,1025 7.601,1026 0.931,1027 9.068,1028 2.91,1029 6.038,1030 7.373,1031 4.61,1032 10.654,1033 5.95,1034 8.965,1035 0.731,1036 10.802,1037 2.204,1038 6.524,1039 8.13,1040 4.506,1041 12.398,1042 6.419,1043 10.358,1044 0.452,1045 12.569,1046 1.697,1047 7.944,1048 9.956,1049 6.268,1050 14.999,1051 7.816,1052 11.772,1053 0.204,1054 14.36,1055 0.81,1056 8.775,1057 11.091,1058 6.556,1059 17.073,1060 8.631,1061 13.202,1062 -0.151,1063 16.167,1064 0.4,1065 10.006,1066 12.711,1067 8.012,1068 19.507,1069 9.841,1070 3.104,1071 -0.587,1072 17.987,1073 -0.338,1074 10.993,1075 14.027,1076 8.548,1077 21.725,1078 10.812,1079 3.07,1080 10.365,1081 19.817,1082 -1.265,1083 12.151,1084 15.564,1085 9.813,1086 24.096,1087 11.951,1088 2.652,1089 10.234,1090 21.655,1091 4.519,1092 13.21,1093 16.967,1094 10.509,1095 26.377,1096 12.994,1097 2.368,1098 8.071,1099 23.5,1100 4.127,1101 14.342,1102 18.472,1103 11.655,1104 28.723,1105 14.108,1106 2.27,1107 6.784,1108 25.35,1109 3.594,1110 15.434,1111 19.919,1112 12.452,1113 31.032,1114 15.183,1115 1.938,1116 6.62,1117 27.204,1118 3.276,1119 16.558,1120 21.412,1121 13.525,1122 33.369,1123 16.29,1124 1.505,1125 5.874,1126 29.062,1127 2.92,1128 17.666,1129 22.882,1130 14.386,1131 35.691,1132 17.381,1133 8534,1134 16428,1135 18.611,1136 28.443,1137 45.5,1138 48.616,1139 45.996,1140 43.405,1141 43.453,1142 61.412,1143 11.411,1144 126.828,1145 42.488,1146 5.366,1147 6.058,1148 6.123,1149 5.126,1150 5.104,1151 7.519,1152 4.647,1153 17.367,1154 5.067,1155 16.398,1156 1.569,1157 1.676,1158 1.586,1159 1.497,1160 1.498,1161 2.118,1162 0.393,1163 4.373,1164 1.465,1165 4.123,1166 4.17,1167 4.096,1168 3.983,1169 7.815,1170 4.004,1171 4.01,1172 4.034,1173 3.978,1174 3.9,1175 7.428,1176 3.909,1177 3.637,1178 3.687,1179 3.608,1180 3.422,1181 6.999,1182 3.441,1183 3.521,1184 3.557,1185 3.478,1186 3.249,1187 6.82,1188 3.305,1189 3.417,1190 3.477,1191 3.351,1192 3.137,1193 5.072,1194 3.178,1195 3.117,1196 3.181,1197 3.051,1198 2.916,1199 4.669,1200 2.943,1201 3.018,1202 3.102,1203 2.834,1204 2.796,1205 4.582,1206 2.79,1207 2.968,1208 3.023,1209 2.799,1210 2.674,1211 4.22,1212 2.719,1213 0.157,1214 0.14,1215 0.227,1216 0.141,1217 0.107,1218 4.563,1219 0.156,1220 4.058,1221 0.09,1222 6.574,1223 0.357,1224 4.086,1225 0.106,1226 3.104,1227 4.519,1228 2.612,1229 10.365,1230 3.067,1231 1.951,1232 1.929,1233 2.04,1234 2.099,1235 1.165,1236 2.068,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.107,1242 2.038,1243 1.551,1244 1.499,1245 1.703,1246 1.824,1247 0.721,1248 1.773,1249 1.369,1250 1.326,1251 1.568,1252 1.698,1253 0.621,1254 1.64,1255 1.303,1256 1.235,1257 1.565,1258 1.566,1259 0.612,1260 1.565,1261 1.144,1262 1.083,1263 1.218,1264 1.38,1265 0.238,1266 1.338,1267 0.967,1268 0.906,1269 1.183,1270 1.291,1271 0.133,1272 1.297,1273 0.906,1274 0.839,1275 1.12,1276 1.178,1277 0.065,1278 1.181,1279 4.078,1281 5.407,1282 2.398,1283 6.927,1284 4.727,1285 8.53,1286 6.823,1287 10.178,1289 3.159,1300 1.101,1303 9.016,1304 2.056,1305 28.38,1306 71.033,1307 164.54,1308 196.54,1309 208.15,1310 208.15,1311 208.15,1312 61.982,1313 7.202,1314 119.58,1315 119.58,1316 17,1317 12.485,1318 4.459,1319 3.907,1320 47.1,1321 109,1322 101,1323 0.212,1324 178.878,1325 310.87,1326 428.223,1327 13088,1329 19.552,1330 0.724,1331 0.538,1332 19.552,1333 14.527,1334 12.901,1335 0.445,1336 0.271,1337 7.703,1338 12.206,1339 7.476,1340 6.26,1341 12.901,1342 7.85,1343 11.721,1344 0.286,1345 0.141,1346 11.721,1347 5.787,1348 10.055,1349 0.186,1350 0.074,1351 10.055,1352 4.007,1353 7.557,1354 0.115,1355 0.038,1356 7.557,1357 2.498,1358 6.015,1359 0.074,1360 0.02,1361 6.015,1362 1.65,1363 0.336,1364 82.379,1365 0.232,1366 25.993,1367 0.573,1368 140,1369 517.077,1370 157.022,1371 501.238,1372 665.28,1373 460,1374 165,1375 492.038,1376 183.413,1377 492.447,1378 704.07,1379 458,1380 7.77}
{0 CHEMBL1928729,1 1.754,2 11.038,3 2.407,4 5.791,5 95.304,6 9.167,7 0.571,8 3.777,9 3.881,10 3.512,11 3.31,12 5.156,13 3.338,14 4.22,15 4.355,16 3.844,17 3.658,18 5.651,19 3.687,20 4.412,21 4.568,22 3.9,23 3.756,24 5.823,25 3.771,26 4.492,27 4.669,28 3.79,29 3.661,30 5.907,31 3.673,32 4.327,33 4.515,34 3.694,35 3.518,36 5.722,37 3.531,38 4.287,39 4.47,40 3.657,41 3.452,42 5.9,43 3.458,44 4.233,45 4.449,46 3.503,47 3.386,48 5.657,49 3.375,50 4.103,51 4.28,52 3.37,53 3.363,54 5.441,55 3.338,56 0.202,57 0.624,58 4.452,59 2.787,60 11.24,61 2.98,62 0.375,63 0.924,64 8.892,65 4.227,66 52.371,67 4.545,68 0.398,69 1.07,70 11.537,71 5.244,72 35.973,73 5.643,74 0.636,75 1.057,76 15.562,77 5.671,78 99.836,79 5.613,80 0.52,81 0.916,82 13.492,83 4.967,84 67.66,85 5.524,86 0.621,87 0.867,88 12.993,89 4.761,90 98.224,91 5.63,92 0.537,93 0.809,94 13.417,95 4.276,96 60.184,97 5.16,98 0.412,99 0.684,100 11.282,101 4.623,102 66.314,103 4.993,104 30,105 39,106 0.305,107 0.67,108 0.81,109 0.881,110 0.881,111 0.881,112 3.304,113 0.796,114 -3.54,115 -3.52,116 -3.36,119 44.7,124 1,142 6,143 3,144 1,145 1,151 1,152 1,155 1,158 2,166 4,172 6,174 2,175 10,183 6,186 1,187 17,195 3,198 2,199 11,207 1,211 5,212 9,220 1,223 6,224 3,232 2,236 5,237 4,245 2,249 1,250 6,258 4,263 5,271 4,275 970,276 17.37,277 17.37,278 17.37,279 17.37,280 17.37,281 14.923,282 14.456,283 10.058,284 17.593,285 13.695,286 13.695,287 13.695,288 13.695,289 13.695,290 9.793,291 12.35,292 4.642,293 14.038,294 3.494,295 1.389,296 0.586,297 0.178,298 0.178,299 0.178,300 3.982,303 1,304 1,305 1,306 607,307 3.873,310 61.747,311 166.737,314 114.035,318 1.583,319 36.445,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 58,331 287,332 4.563,333 4.058,334 6.547,335 4.064,336 3.095,337 4.519,338 2.612,339 10.362,340 2.999,341 4.35,342 3.786,343 6.358,344 3.97,345 2.979,346 4.022,347 2.035,348 9.532,349 2.946,350 4.06,351 3.656,352 5.899,353 3.621,354 2.652,355 3.489,356 1.058,357 8.066,358 2.565,359 3.891,360 3.093,361 5.295,362 3.349,363 2.356,364 3.273,366 6.735,367 2.337,368 3.518,369 2.429,370 5.117,371 3.028,372 2.06,373 2.833,375 5.99,376 1.988,377 3.328,378 2.32,379 4.998,380 2.852,381 1.883,382 2.602,384 5.529,385 1.82,386 3.024,387 2.183,388 4.157,389 2.392,390 1.394,391 2.068,393 3.505,394 1.388,395 2.951,396 1.859,397 3.872,398 2.233,399 1.263,400 1.848,402 3.121,403 1.223,404 2.71,405 1.594,406 3.516,407 2,408 1,409 1.59,411 2.325,412 1,413 2.595,414 1.319,415 3.432,416 1.902,417 0.928,418 1.432,420 2.174,421 0.897,422 2.493,423 1.148,424 3.268,425 1.722,426 0.711,427 1.135,428 1.656,429 0.713,430 2.13,431 1.067,432 2.869,433 1.392,434 0.441,435 0.753,436 0.777,437 0.417,438 1.796,439 1,440 2.757,441 1.143,442 0.186,443 0.287,445 0.369,446 0.177,447 1,448 0.643,449 2.265,450 0.376,451 -0.586,452 -0.806,454 -1.264,455 -0.563,456 0.928,457 -0.026,458 2.145,459 0.341,460 -0.669,461 -0.96,463 -1.572,464 -0.669,465 11.9,466 0.458,467 0.682,468 0.026,469 39.75,470 1.529,471 23,472 0.885,473 16.75,474 0.644,475 15.142,476 0.582,477 26.5,478 0.697,479 30.856,480 1.187,481 8.141,482 0.313,483 4.349,484 0.167,485 0.16,487 0.353,493 0.398,494 1.084,495 0.573,496 0.948,497 0.481,498 0.852,499 0.661,500 1.153,501 0.71,502 0.905,503 0.456,504 0.821,505 0.87,506 1.21,507 0.942,508 1.135,509 0.631,510 1.059,511 1.414,512 1.061,513 1.257,514 1.046,515 1.387,516 1.096,517 1.041,518 0.92,519 1.006,520 0.984,521 1.081,522 0.988,523 0.751,524 1.105,525 0.958,526 1.062,527 0.769,528 1.075,529 0.869,530 0.718,531 1.067,532 0.809,533 0.789,534 0.928,535 1.198,536 0.844,537 1.113,538 0.979,539 1.214,540 1.041,541 5.5,542 0.12,543 3.556,544 1.854,545 1.276,546 0.927,547 0.598,548 0.306,549 0.215,550 0.175,551 8033,552 30342,553 2.014,554 31.6,556 9,557 1,558 2,564 1.688,565 1.857,566 3.456,567 -0.646,568 1,569 1,571 1,573 66.65,574 1.754,575 3.859,576 4.662,577 5.07,578 5.07,579 5.07,580 2.888,581 4.393,582 4.676,583 3.604,584 1171.43,585 8.086,586 14959.1,587 1,588 1,590 1,591 199.421,592 1.502,593 4.615,594 0.196,595 0.006,596 0.091,597 0.046,598 0.038,599 0.03,600 0.021,601 0.012,602 0.009,603 0.008,604 0.458,605 0.33,606 1,607 0.923,608 128.461,609 0.232,610 0.046,611 0.067,612 -0.008,613 0.007,614 -0.035,615 0.068,616 -0.078,617 0.056,618 0.045,619 0.133,620 0.058,621 -0.097,622 -0.175,623 -0.097,624 -0.179,625 0.034,626 -0.135,627 -0.313,628 -0.104,629 -0.252,630 -0.087,631 -0.272,632 -0.139,633 -0.044,634 0.051,635 0.009,636 -0.021,637 -0.127,638 -0.003,639 0.274,640 -0.152,641 0.073,642 -0.094,643 0.231,644 -0.082,645 0.074,646 0.259,647 0.011,648 0.146,649 0.07,650 0.095,651 -0.18,652 0.032,653 -0.08,654 0.08,655 -0.176,656 0.03,657 2.564,658 5.369,659 0.577,660 21.947,661 1.033,662 1.128,663 2.314,664 5.353,665 0.702,666 3.367,667 3.689,668 3.951,669 4.143,670 4.331,671 4.369,672 4.419,673 4.407,674 4.317,675 4.331,676 6.603,677 0.707,678 348.35,679 3.367,680 4.905,681 5.753,682 6.621,683 7.487,684 8.36,685 9.231,686 10.105,687 10.978,688 11.854,689 15.8,696 1,697 1,698 2,699 1,700 1,703 1,704 8,705 1,709 4,711 16,713 1,725 1,731 38,733 21,734 1,735 28,737 40,738 17,739 13,740 2,741 4,742 2,746 3,747 4,749 1,760 1,761 15,762 1,766 4,768 1,771 3,773 1,774 1,775 1,777 1,778 1,781 12,782 7,784 9,790 6,794 0.667,795 3,803 1,805 1,811 1,812 2,815 1,840 2,844 1,848 26,859 1,861 1,866 1,868 1,870 7.9,873 1,876 2,877 14,878 7.45,879 5.806,880 2.059,881 4.006,882 1.563,883 0.965,884 4.747,885 11.127,886 3.761,887 4.366,888 4.99,889 5.551,890 6.086,891 6.445,892 6.82,893 7.07,894 7.17,895 7.442,896 1,897 40,898 9.519,900 4.068,901 8.25,902 17.169,904 13.481,905 2.75,906 71.5,910 141.253,911 128.16,912 74.221,914 75.892,917 128.16,918 217.145,919 74.221,920 14.066,921 3.002,922 65.905,923 95.704,924 70.247,925 13.915,926 105.94,927 50.747,928 141.253,929 202.381,930 75.892,933 141.253,934 25.145,935 50.747,937 60.936,938 110.065,939 31.38,941 141.253,942 150.113,943 128.16,946 141.253,947 19.162,948 102.232,949 16.602,950 140.277,951 141.253,952 150.113,953 128.16,955 0.584,956 0.349,957 0.172,958 0.093,959 18,960 9,961 0.1,962 4,963 1,964 1.133,965 3.767,966 210.608,967 0.133,968 15,969 120.211,974 17.283,975 7.141,976 3.614,977 0.67,978 143.279,979 11.951,980 4.144,984 1.097,987 419.526,988 42,990 -0.564,993 34.013,995 1.443,996 4.076,997 -0.487,999 39.244,1000 42.864,1001 0.334,1002 0.735,1003 0.888,1004 0.966,1005 0.966,1006 0.966,1007 4.99,1008 1.263,1009 5.746,1010 3.505,1011 4.369,1012 5.053,1013 3.123,1014 6.553,1015 4.323,1016 6.23,1017 1,1018 7.314,1019 3.121,1020 4.007,1021 4.924,1022 2.361,1023 7.466,1024 3.94,1025 7.55,1026 0.928,1027 8.98,1028 2.325,1029 5.969,1030 7.321,1031 4.61,1032 10.53,1033 5.874,1034 8.907,1035 0.711,1036 10.701,1037 2.174,1038 6.415,1039 8.042,1040 4.506,1041 12.245,1042 6.298,1043 10.292,1044 0.441,1045 12.458,1046 1.656,1047 7.854,1048 9.891,1049 6.268,1050 14.827,1051 7.712,1052 11.7,1053 0.186,1054 14.238,1055 0.777,1056 8.655,1057 11.004,1058 6.556,1059 16.875,1060 8.491,1061 13.124,1062 -0.586,1063 16.034,1064 0.369,1065 9.891,1066 12.637,1067 8.012,1068 19.288,1069 9.704,1070 3.095,1071 -0.669,1072 17.844,1073 -1.264,1074 10.857,1075 13.942,1076 8.548,1077 21.483,1078 10.645,1079 2.979,1080 10.362,1081 19.662,1082 -1.572,1083 12.012,1084 15.485,1085 9.813,1086 23.832,1087 11.777,1088 2.652,1089 9.532,1090 21.489,1091 4.519,1092 13.054,1093 16.884,1094 10.509,1095 26.093,1096 12.794,1097 2.356,1098 8.066,1099 23.322,1100 4.022,1101 14.178,1102 18.393,1103 11.655,1104 28.421,1105 13.894,1106 2.06,1107 6.735,1108 25.16,1109 3.489,1110 15.255,1111 19.839,1112 12.452,1113 30.712,1114 14.946,1115 1.883,1116 5.99,1117 27.002,1118 3.273,1119 16.369,1120 21.335,1121 13.525,1122 33.033,1123 16.035,1124 1.394,1125 5.529,1126 28.848,1127 2.833,1128 17.463,1129 22.806,1130 14.386,1131 35.34,1132 17.104,1133 7880,1134 15456,1135 18.205,1136 26.682,1137 43.818,1138 47.06,1139 43.801,1140 41.892,1141 41.9,1142 59.703,1143 11.411,1144 120.279,1145 40.937,1146 5.359,1147 6.058,1148 6.097,1149 5.103,1150 5.095,1151 7.519,1152 4.647,1153 17.127,1154 4.999,1155 14.703,1156 1.565,1157 1.681,1158 1.564,1159 1.496,1160 1.496,1161 2.132,1162 0.408,1163 4.296,1164 1.462,1165 4.122,1166 4.169,1167 4.095,1168 3.982,1169 7.815,1170 4.003,1171 3.995,1172 4.02,1173 3.962,1174 3.873,1175 7.428,1176 3.883,1177 3.633,1178 3.685,1179 3.601,1180 3.422,1181 6.999,1182 3.441,1183 3.497,1184 3.529,1185 3.464,1186 3.242,1187 6.82,1188 3.295,1189 3.386,1190 3.441,1191 3.323,1192 3.018,1193 5.072,1194 3.097,1195 3.113,1196 3.178,1197 3.046,1198 2.91,1199 4.677,1200 2.937,1201 2.973,1202 3.028,1203 2.831,1204 2.791,1205 4.583,1206 2.785,1207 2.829,1208 2.92,1209 2.687,1210 2.608,1211 4.22,1212 2.602,1213 0.163,1214 0.145,1215 0.234,1216 0.145,1217 0.111,1218 4.563,1219 0.161,1220 4.058,1221 0.093,1222 6.547,1223 0.37,1224 4.064,1225 0.107,1226 3.095,1227 4.519,1228 2.612,1229 10.362,1230 2.999,1231 1.931,1232 1.907,1233 2.017,1234 2.091,1235 1.109,1236 2.055,1237 1.918,1238 1.887,1239 1.99,1240 2.059,1241 1.095,1242 2.037,1243 1.551,1244 1.499,1245 1.702,1246 1.822,1247 0.719,1248 1.773,1249 1.359,1250 1.31,1251 1.567,1252 1.653,1253 0.621,1254 1.592,1255 1.181,1256 1.134,1257 1.285,1258 1.547,1259 0.242,1260 1.517,1261 1.142,1262 1.082,1263 1.216,1264 1.379,1265 0.213,1266 1.338,1267 0.952,1268 0.895,1269 1.183,1270 1.182,1271 0.132,1272 1.184,1273 0.779,1274 0.712,1275 1.05,1276 1.038,1277 0.065,1278 1.029,1279 4.043,1281 5.361,1282 2.398,1283 6.87,1284 4.727,1285 8.461,1286 6.823,1287 10.095,1289 1.448,1300 1.08,1303 8.99,1304 2.05,1305 26.853,1306 66.65,1307 146.627,1308 177.157,1309 192.666,1310 192.666,1311 192.666,1312 56.579,1313 7.121,1314 119.58,1315 119.58,1316 17,1317 12.393,1318 4.459,1319 3.907,1320 44.508,1321 105,1322 93,1323 0.209,1324 169.286,1325 293.57,1326 404.817,1327 11907,1329 18.681,1330 0.719,1331 0.523,1332 18.681,1333 13.604,1334 12.49,1335 0.446,1336 0.265,1337 7.286,1338 11.795,1339 7.129,1340 5.95,1341 12.49,1342 7.434,1343 11.193,1344 0.287,1345 0.137,1346 11.193,1347 5.338,1348 9.58,1349 0.188,1350 0.072,1351 9.58,1352 3.648,1353 7.221,1354 0.116,1355 0.037,1356 7.221,1357 2.309,1358 5.721,1359 0.076,1360 0.02,1361 5.721,1362 1.464,1363 0.332,1364 79.915,1365 0.234,1366 25.278,1367 0.56,1368 134,1369 509.077,1370 151.022,1371 492.633,1372 652.23,1373 452,1374 157,1375 481.038,1376 175.413,1377 480.125,1378 685.63,1379 447,1380 7.959}
{0 CHEMBL1928730,1 1.664,2 11.115,3 3.552,4 12.619,5 100.514,6 8.295,7 0.571,8 3.853,9 3.972,10 3.512,11 3.382,12 5.137,13 3.385,14 4.327,15 4.496,16 3.835,17 3.744,18 5.618,19 3.741,20 4.507,21 4.681,22 3.869,23 3.877,24 5.724,25 3.844,26 4.654,27 4.877,28 3.769,29 3.833,30 5.822,31 3.766,32 4.559,33 4.815,34 3.689,35 3.682,36 5.662,37 3.628,38 4.45,39 4.66,40 3.629,41 3.612,42 5.735,43 3.567,44 4.497,45 4.757,46 3.441,47 3.546,48 5.717,49 3.472,50 4.216,51 4.427,52 3.358,53 3.479,54 5.373,55 3.408,56 0.173,57 0.678,58 6.773,59 3.311,60 5.036,61 4.125,62 0.294,63 1.02,64 13.287,65 5.086,66 44.171,67 6.589,68 0.241,69 1.198,70 15.493,71 6.223,72 18.101,73 7.963,74 0.415,75 1.248,76 21.736,77 7.614,78 56.951,79 10.226,80 0.448,81 1.114,82 21.788,83 6.814,84 53.037,85 9.645,86 0.449,87 1.029,88 17.205,89 5.574,90 42.734,91 7.354,92 0.597,93 0.97,94 21.487,95 5.98,96 79.195,97 8.177,98 0.301,99 0.77,100 14.437,101 5.503,102 45.569,103 7.057,104 30,105 39,106 0.285,107 0.665,108 0.822,109 0.869,110 0.869,111 0.869,112 3.304,113 0.84,114 -3.92,115 -3.88,116 -3.68,119 42.9,120 1,124 1,125 1,142 5,143 4,144 1,145 1,151 1,152 1,155 1,158 1,166 4,172 7,174 1,175 9,183 8,187 15,195 5,198 2,199 11,207 1,211 4,212 9,220 1,223 4,224 5,232 2,236 3,237 3,245 3,249 1,250 5,258 4,263 6,271 5,275 970,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 14.885,282 17.506,283 10.052,284 17.555,285 13.721,286 13.721,287 13.721,288 13.721,289 13.721,290 9.928,291 19.751,292 4.68,293 14.115,294 3.728,295 1.515,296 0.598,297 0.322,298 0.322,299 0.322,300 3.982,303 1,304 1,305 1,306 611,307 3.674,310 61.112,311 165.816,314 112.95,318 1.586,319 27.023,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57,331 289,332 4.563,333 4.058,334 6.547,335 4.061,336 3.093,337 4.519,338 2.612,339 10.361,340 2.993,341 4.352,342 3.782,343 6.173,344 3.929,345 2.943,346 4.063,347 2.035,348 9.116,349 2.902,350 3.955,351 3.117,352 5.769,353 3.498,354 2.532,355 3.462,356 0.657,357 7.658,358 2.444,359 3.894,360 3.062,361 5.297,362 3.357,363 2.367,364 3.276,366 6.743,367 2.342,368 3.549,369 2.57,370 5.122,371 3.174,372 2.216,373 2.828,375 6.107,376 2.114,377 3.26,378 2.326,379 4.956,380 2.87,381 1.907,382 2.417,384 5.669,385 1.832,386 3.024,387 1.999,388 4.181,389 2.415,390 1.421,391 2.034,393 3.74,394 1.411,395 2.924,396 1.907,397 4.113,398 2.236,399 1.266,400 1.959,402 3.436,403 1.233,404 2.838,405 1.642,406 3.785,407 2.23,408 1.233,409 1.832,411 2.897,412 1.222,413 2.683,414 1.329,415 3.324,416 1.832,417 0.881,418 1.327,420 1.981,421 0.836,422 2.328,423 1.093,424 3.111,425 1.495,426 0.549,427 0.944,428 1.161,429 0.518,430 1.973,431 1,432 2.793,433 1.27,434 0.319,435 0.52,436 0.569,437 0.302,438 1.392,439 0.661,440 2.661,441 1.076,442 0.099,443 0.124,445 0.219,446 0.096,447 1,448 0.479,449 2.312,450 0.513,451 -0.465,452 -0.571,454 -1.168,455 -0.453,456 0.939,457 -0.022,458 2.223,459 0.362,460 -0.599,461 -0.812,463 -1.339,464 -0.574,465 12.067,466 0.464,467 0.698,468 0.027,469 38,470 1.462,471 21.5,472 0.827,473 16.5,474 0.635,475 17.281,476 0.665,477 26.933,478 0.641,479 28.403,480 1.092,481 7.706,482 0.296,483 4.768,484 0.183,485 0.171,487 0.348,493 0.357,494 1.131,495 0.652,496 1.004,497 0.455,498 0.916,499 0.721,500 1.096,501 0.73,502 0.846,503 0.374,504 0.781,505 0.86,506 1.241,507 1.045,508 1.184,509 0.548,510 1.143,511 0.955,512 1.143,513 1.085,514 1.174,515 0.942,516 1.163,517 0.829,518 0.858,519 0.841,520 0.855,521 0.751,522 0.846,523 1.082,524 1.142,525 1.174,526 1.135,527 1.03,528 1.168,529 1.285,530 0.633,531 1.16,532 0.711,533 1.162,534 0.867,535 1.064,536 0.829,537 0.994,538 0.94,539 1.113,540 0.977,541 6,542 0.153,543 3.333,544 1.667,545 1.587,546 0.865,547 0.532,548 0.266,549 0.212,550 0.184,551 8149,552 27447,553 2.014,554 38.1,555 3,556 10,557 1,558 2,564 1.688,565 1.857,566 3.452,567 -0.684,569 1,573 69.909,574 1.664,575 3.878,576 4.794,577 5.071,578 5.071,579 5.071,580 2.874,581 4.393,582 4.677,583 3.617,584 1175.39,585 8.084,586 15165.8,587 1,588 1,590 1,591 226.477,592 1.502,593 4.615,594 0.214,595 0.007,596 0.085,597 0.043,598 0.048,599 0.028,600 0.019,601 0.012,602 0.009,603 0.008,604 0.473,605 0.33,606 1,607 0.923,608 128.841,609 0.315,610 0.036,611 0.075,612 -0.016,613 0.035,614 -0.034,615 0.046,616 -0.011,617 0.114,618 0.134,619 0.192,620 0.15,621 -0.148,622 -0.166,623 -0.207,624 -0.205,625 0.002,626 -0.208,627 -0.069,628 -0.192,629 -0.098,630 -0.187,631 -0.091,632 -0.161,633 0.059,634 0.072,635 0.217,636 0.116,637 0.011,638 0.184,639 -0.034,640 -0.143,641 -0.195,642 -0.199,643 -0.068,644 -0.231,645 -0.131,646 0.273,647 -0.054,648 0.24,649 -0.063,650 0.139,651 -0.098,652 0.064,653 -0.001,654 0.115,655 -0.109,656 0.073,657 2.405,658 3.938,659 0.577,660 21.846,661 1.016,662 1.131,663 2.69,664 7.237,665 0.685,666 3.367,667 3.689,668 3.932,669 4.143,670 4.357,671 4.382,672 4.369,673 4.369,674 4.304,675 4.331,676 6.697,677 0.671,678 348.4,679 3.367,680 4.905,681 5.746,682 6.616,683 7.478,684 8.351,685 9.219,686 10.093,687 10.964,688 11.839,689 14.3,692 1,697 1,698 2,699 1,700 1,703 1,704 7,705 1,709 5,711 16,713 1,725 1,731 42,733 20,734 1,735 28,737 44,738 18,739 13,740 3,741 3,742 1,746 3,747 4,749 1,752 1,760 1,761 14,762 3,766 3,768 1,771 2,773 1,774 1,777 1,778 1,781 16,782 6,784 8,790 6,794 0.667,795 2,803 1,805 1,811 1,812 2,815 1,840 2,844 2,848 26,854 1,859 1,861 1,866 1,868 1,870 4.8,876 2,877 14,878 8.45,879 5.778,880 2.331,881 4.05,882 1.566,883 0.964,884 4.972,885 11.205,886 3.738,887 4.353,888 4.962,889 5.533,890 6.081,891 6.437,892 6.756,893 7.001,894 7.107,895 7.377,896 1,897 39,898 9.503,900 3.971,901 8.038,902 17.608,904 13.898,905 2.538,906 66,909 1,910 188.338,911 128.096,912 74.221,914 50.747,917 128.096,918 239.085,919 74.221,920 22.892,921 2.106,922 56.429,923 65.854,924 76.435,925 13.915,926 153.024,927 50.747,928 188.338,929 202.317,930 50.747,933 188.338,935 50.747,937 71.866,938 99.07,939 31.38,941 188.338,942 124.968,943 128.096,946 188.338,947 19.749,948 101.581,949 16.602,950 115.132,951 188.338,952 124.968,953 128.096,955 0.584,956 0.34,957 0.172,958 0.099,959 18,960 9,961 0.114,962 5,963 1,964 1.133,965 3.788,966 209.257,967 0.133,968 15,969 120.211,974 17.597,975 7.346,976 3.903,977 0.785,978 118.134,979 11.633,980 4.224,984 3.199,987 441.401,988 41,990 -0.405,993 21.877,995 1.663,996 4.385,999 42.683,1000 47.485,1001 0.309,1002 0.719,1003 0.889,1004 0.94,1005 0.94,1006 0.94,1007 4.97,1008 1.266,1009 5.74,1010 3.74,1011 4.369,1012 5.04,1013 3.061,1014 6.535,1015 4.315,1016 6.211,1017 1.233,1018 7.298,1019 3.436,1020 4.007,1021 4.934,1022 2.361,1023 7.416,1024 3.93,1025 7.53,1026 0.881,1027 8.951,1028 2.897,1029 5.958,1030 7.317,1031 4.589,1032 10.468,1033 5.852,1034 8.886,1035 0.549,1036 10.658,1037 1.981,1038 6.382,1039 8.049,1040 4.506,1041 12.153,1042 6.251,1043 10.27,1044 0.319,1045 12.399,1046 1.161,1047 7.82,1048 9.894,1049 6.263,1050 14.726,1051 7.664,1052 11.675,1053 0.099,1054 14.164,1055 0.569,1056 8.6,1057 11.016,1058 6.556,1059 16.76,1060 8.419,1061 13.097,1062 -0.465,1063 15.946,1064 0.219,1065 9.836,1066 12.648,1067 8.011,1068 19.164,1069 9.63,1070 3.093,1071 -0.599,1072 17.741,1073 -1.168,1074 10.787,1075 13.958,1076 8.548,1077 21.356,1078 10.554,1079 2.943,1080 10.361,1081 19.547,1082 -1.339,1083 11.94,1084 15.501,1085 9.813,1086 23.7,1087 11.683,1088 2.532,1089 9.116,1090 21.362,1091 4.519,1092 12.973,1093 16.904,1094 10.509,1095 25.962,1096 12.688,1097 2.367,1098 7.658,1099 23.184,1100 4.063,1101 14.095,1102 18.412,1103 11.655,1104 28.288,1105 13.784,1106 2.216,1107 6.743,1108 25.012,1109 3.462,1110 15.167,1111 19.86,1112 12.452,1113 30.583,1114 14.828,1115 1.907,1116 6.107,1117 26.846,1118 3.276,1119 16.279,1120 21.356,1121 13.525,1122 32.905,1123 15.913,1124 1.421,1125 5.669,1126 28.684,1127 2.828,1128 17.371,1129 22.827,1130 14.386,1131 35.216,1132 16.977,1133 7989,1134 14803,1135 18.205,1136 28.75,1137 43.542,1138 45.839,1139 43.483,1140 41.626,1141 41.649,1142 58.607,1143 10.609,1144 119.309,1145 40.49,1146 5.365,1147 6.058,1148 6.096,1149 5.1,1150 5.093,1151 7.519,1152 4.647,1153 17.028,1154 4.993,1155 14.849,1156 1.555,1157 1.637,1158 1.553,1159 1.487,1160 1.487,1161 2.093,1162 0.379,1163 4.261,1164 1.446,1165 4.123,1166 4.17,1167 4.095,1168 3.984,1169 7.815,1170 4.004,1171 4.008,1172 4.036,1173 3.968,1174 3.901,1175 6.999,1176 3.906,1177 3.628,1178 3.692,1179 3.576,1180 3.423,1181 6.82,1182 3.439,1183 3.52,1184 3.558,1185 3.478,1186 3.252,1187 5.073,1188 3.295,1189 3.412,1190 3.478,1191 3.333,1192 3.138,1193 4.716,1194 3.175,1195 3.111,1196 3.183,1197 3.018,1198 2.917,1199 4.586,1200 2.939,1201 3.016,1202 3.103,1203 2.802,1204 2.797,1205 4.224,1206 2.779,1207 2.947,1208 3.031,1209 2.777,1210 2.674,1211 3.903,1212 2.719,1213 0.163,1214 0.145,1215 0.234,1216 0.145,1217 0.11,1218 4.563,1219 0.161,1220 4.058,1221 0.093,1222 6.547,1223 0.37,1224 4.061,1225 0.107,1226 3.093,1227 4.519,1228 2.612,1229 10.361,1230 2.993,1231 1.957,1232 1.931,1233 2.06,1234 2.102,1235 1.227,1236 2.077,1237 1.921,1238 1.889,1239 1.991,1240 2.059,1241 1.107,1242 2.038,1243 1.558,1244 1.5,1245 1.731,1246 1.832,1247 0.814,1248 1.789,1249 1.386,1250 1.33,1251 1.577,1252 1.698,1253 0.635,1254 1.642,1255 1.306,1256 1.237,1257 1.565,1258 1.57,1259 0.612,1260 1.573,1261 1.144,1262 1.083,1263 1.362,1264 1.381,1265 0.502,1266 1.338,1267 1,1268 0.912,1269 1.207,1270 1.294,1271 0.133,1272 1.319,1273 0.906,1274 0.839,1275 1.134,1276 1.197,1277 0.114,1278 1.232,1279 4.043,1281 5.361,1282 2.398,1283 6.864,1284 4.727,1285 8.45,1286 6.823,1287 10.084,1289 3.701,1295 0.437,1300 1.698,1303 9.026,1304 2.103,1305 28.192,1306 69.909,1307 162.868,1308 201.358,1309 212.968,1310 212.968,1311 212.968,1312 48.056,1313 7.155,1314 102.51,1315 102.51,1316 17,1317 12.379,1318 4.392,1319 3.807,1320 44.538,1321 107,1322 93,1323 0.205,1324 177.809,1325 304.72,1326 425.615,1327 12605,1329 18.681,1330 0.719,1331 0.551,1332 18.681,1333 14.326,1334 12.474,1335 0.445,1336 0.28,1337 7.706,1338 11.836,1339 7.456,1340 6.255,1341 12.474,1342 7.842,1343 11.321,1344 0.29,1345 0.151,1346 11.321,1347 5.885,1348 9.329,1349 0.187,1350 0.08,1351 9.329,1352 4.017,1353 7.185,1354 0.116,1355 0.041,1356 7.185,1357 2.558,1358 5.917,1359 0.077,1360 0.023,1361 5.917,1362 1.745,1363 0.327,1364 79.274,1365 0.234,1366 25.339,1367 0.545,1368 134,1369 457.342,1370 148.475,1371 447.849,1372 598.12,1373 412,1374 156,1375 445.697,1376 171.7,1377 448.355,1378 635.67,1379 416,1380 7.398}
{0 CHEMBL1934300,1 1.617,2 8.038,3 3.165,4 10.018,5 96.086,6 8.079,7 0.7,8 3.917,9 4.025,10 3.569,11 3.443,12 5.048,13 3.456,14 4.445,15 4.598,16 3.945,17 3.833,18 5.548,19 3.839,20 4.664,21 4.86,22 3.994,23 3.941,24 5.722,25 3.918,26 4.642,27 4.861,28 3.928,29 3.899,30 5.669,31 3.867,32 4.601,33 4.808,34 3.947,35 3.891,36 5.687,37 3.866,38 4.626,39 4.818,40 3.944,41 3.966,42 5.64,43 3.927,44 4.664,45 4.851,46 3.852,47 3.985,48 5.689,49 3.913,50 4.684,51 4.907,52 3.642,53 3.886,54 5.674,55 3.767,56 0.084,57 0.69,58 7.692,59 3.594,60 8.318,61 4.296,62 0.262,63 1.129,64 15.202,65 5.724,66 19.067,67 7.023,68 0.444,69 1.35,70 21.27,71 7.231,72 30.843,73 9.428,74 0.341,75 1.343,76 21.059,77 6.859,78 30.444,79 9.445,80 0.457,81 1.289,82 19.923,83 6.503,84 37.451,85 8.885,86 0.365,87 1.316,88 19.391,89 6.903,90 21.131,91 9.122,92 0.352,93 1.289,94 20.212,95 8.084,96 25.561,97 10.406,98 0.28,99 1.2,100 22.853,101 9.32,102 32.237,103 12.5,104 2,105 43,106 0.277,107 0.627,108 0.771,109 0.849,110 0.849,111 0.849,112 3.306,113 0.856,114 -3.61,115 -3.59,116 -3.42,119 44.2,125 4,142 7,143 1,144 1,145 1,146 1,147 1,149 1,152 2,166 1,172 5,174 2,175 6,180 2,183 4,186 4,187 11,192 2,195 3,198 2,199 6,204 1,207 1,211 3,212 7,215 2,220 2,223 1,224 6,227 1,232 5,236 1,237 4,240 1,245 4,249 1,250 4,255 2,258 3,263 3,266 1,268 1,271 1,275 888,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.811,282 12.611,283 10.787,284 18.668,285 14.885,286 14.885,287 14.885,288 14.885,289 14.885,290 11.295,291 16.024,292 5.188,293 15.732,294 3.809,295 1.759,296 0.922,297 0.465,298 0.465,299 0.465,300 4.024,303 1,304 1,305 1,306 471,307 2.121,310 37.097,311 226.299,314 148.493,318 1.047,319 22.129,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 209,332 4.779,333 3.38,334 6.937,335 4.27,336 3.319,337 4.866,338 0.86,339 11.762,340 3.155,341 4.245,342 2.973,343 6.306,344 3.821,345 2.855,346 3.917,347 0.8,348 9.524,349 2.765,350 4.042,351 2.874,352 6.123,353 3.685,354 2.742,355 3.615,357 8.995,358 2.578,359 3.625,360 2.476,361 5.454,362 3.217,363 2.274,364 3.018,366 6.72,367 2.138,368 3.454,369 2.321,370 5.054,371 3.034,372 2.088,373 2.819,375 6.043,376 1.969,377 3.187,378 2.042,379 4.929,380 2.758,381 1.82,382 2.402,384 5.376,385 1.708,386 2.947,387 1.735,388 4.335,389 2.504,390 1.552,391 2.101,393 4.001,394 1.473,395 2.842,396 1.504,397 4.161,398 2.342,399 1.387,400 1.998,402 3.558,403 1.323,404 2.648,405 1.389,406 3.613,407 2.24,408 1.31,409 1.697,411 2.914,412 1.207,413 2.588,414 1.256,415 3.559,416 2.082,417 1.098,418 1.631,420 2.567,421 1.078,422 2.28,423 1.114,424 3.475,425 1.952,426 1,427 1.243,428 2.531,429 0.946,430 2,431 1.083,432 3.267,433 1.919,434 1,435 1,436 2.136,437 0.913,438 1.891,439 0.508,440 3.247,441 1.413,442 0.463,443 0.653,445 1.239,446 0.439,447 1.063,448 -0.057,449 2.736,450 0.615,451 -0.341,452 -0.451,454 -0.846,455 -0.323,456 0.928,457 -0.263,458 2.639,459 0.518,460 -0.41,461 -0.511,463 -1.005,464 -0.375,465 12.167,466 0.468,467 0.551,468 0.021,469 37.25,470 1.433,471 19,472 0.731,473 18.25,474 0.702,475 18.447,476 0.709,477 26.833,478 0.624,479 26.616,480 1.024,481 7.378,482 0.284,483 5.415,484 0.208,485 0.027,487 0.353,493 0.883,494 1.319,495 0.696,496 1.052,497 0.895,498 0.882,499 1.165,500 1.208,501 0.868,502 0.95,503 0.741,504 0.871,505 1.082,506 1.077,507 0.944,508 0.894,509 0.946,510 0.894,511 0.904,512 1.132,513 0.922,514 0.924,515 0.862,516 0.905,517 0.813,518 0.965,519 0.891,520 0.812,521 0.674,522 0.837,523 0.896,524 1.011,525 1.041,526 0.956,527 0.722,528 0.989,529 0.898,530 0.99,531 1.19,532 1.183,533 0.877,534 1.223,535 0.742,536 1.032,537 1.113,538 1.337,539 0.911,540 1.308,541 4,542 0.025,543 2.667,544 1.701,545 1.275,546 1.146,547 0.554,548 0.259,549 0.228,550 0.089,551 7600,552 20178,553 2.241,554 39.5,556 15,558 1,559 1,564 1.7,565 2.167,566 3.032,567 -0.294,568 1,569 1,571 1,573 69.522,574 1.617,575 3.667,576 4.504,577 4.961,578 4.961,579 4.961,580 2.286,581 4.393,582 4.672,583 3.169,584 1029.87,585 8.147,586 12408.6,588 1,590 1,591 233.329,592 1.142,593 4.66,594 0.133,595 0.006,596 0.062,597 0.039,598 0.031,599 0.027,600 0.013,601 0.007,602 0.008,603 0.006,604 0.333,605 0.5,606 0.88,607 0.362,608 123.326,609 -0.028,610 -0.19,611 0.069,612 -0.075,613 -0.092,614 -0.008,615 -0.129,616 -0.108,617 -0.003,618 -0.011,619 -0.006,620 0.006,621 -0.055,622 -0.027,623 0.001,624 0.041,625 -0.04,626 0.024,627 -0.076,628 -0.065,629 0.025,630 -0.002,631 -0.046,632 0.028,633 0.084,634 0.122,635 0.045,636 0.105,637 0.135,638 0.077,639 -0.072,640 0.075,641 -0.149,642 -0.016,643 -0.068,644 -0.071,645 -0.054,646 0.021,647 -0.292,648 -0.193,649 -0.107,650 -0.262,651 0.055,652 -0.144,653 -0.134,654 -0.295,655 0.024,656 -0.254,657 1.474,658 3.838,659 0.962,660 19.935,661 1.011,662 1.126,663 2.385,664 5.688,665 0.686,666 3.434,667 3.784,668 4.127,669 4.477,670 4.796,671 4.956,672 5.215,673 5.425,674 5.525,675 5.624,676 5.249,677 0.667,678 347.41,679 3.434,680 4.99,681 5.872,682 6.777,683 7.681,684 8.597,685 9.513,686 10.436,687 11.359,688 12.285,689 11.6,695 1,697 1,699 3,701 1,703 3,704 8,705 3,709 4,711 21,726 1,728 1,731 43,733 21,734 1,735 30,737 47,738 19,739 15,740 2,741 4,746 5,747 8,761 15,762 4,777 1,778 1,781 17,782 6,783 1,784 7,790 5,794 0.6,795 2,805 1,807 1,811 1,812 4,815 2,839 1,840 3,848 26,853 1,854 4,856 1,859 1,870 4.7,872 1,874 1,877 12,878 7.783,879 5.583,880 2.589,881 4.165,882 1.525,883 1.028,884 3.731,885 12.103,886 3.726,887 4.404,888 5.11,889 5.829,890 6.501,891 6.989,892 7.581,893 8.135,894 8.52,895 8.952,896 0.667,897 44,898 9.588,900 4.188,901 7.66,902 18.434,904 15.56,905 2.16,906 56.167,909 1,910 188.338,911 103.051,912 54.522,914 53.683,917 103.051,918 242.021,919 54.522,921 13.396,922 66.334,923 115.688,924 20.993,925 6.616,926 176.567,928 188.338,929 157.573,930 53.683,933 190.666,934 42.683,935 11,937 25.752,938 79.26,939 50.234,941 188.338,942 108.206,943 103.051,946 188.338,947 27.67,948 79.669,950 103.917,951 188.338,952 108.206,953 103.051,955 0.582,956 0.345,957 0.202,958 0.119,959 24,960 9,961 0.043,962 2,963 2,964 1.16,965 3.774,966 242.994,967 0.16,968 25,969 118.211,974 15.558,975 6.236,976 2.713,977 2.731,978 107.042,979 14.701,980 14.007,984 2.39,986 42.683,987 399.594,988 40.5,999 43.465,1000 48.402,1001 0.298,1002 0.676,1003 0.83,1004 0.914,1005 0.914,1006 0.914,1007 4.965,1008 1.387,1009 5.855,1010 4.001,1011 4.466,1012 5.091,1013 1.235,1014 6.708,1015 4.362,1016 6.186,1017 1.31,1018 7.428,1019 3.558,1020 4.007,1021 4.956,1022 0.325,1023 7.662,1024 3.849,1025 7.511,1026 1.098,1027 9.106,1028 2.914,1029 6.084,1030 7.419,1031 0.938,1032 10.832,1033 5.885,1034 8.878,1035 1,1036 10.848,1037 2.567,1038 6.494,1039 8.187,1040 0.268,1041 12.661,1042 6.241,1043 10.283,1044 1,1045 12.631,1046 2.531,1047 8.017,1048 10.102,1049 0.732,1050 15.339,1051 7.724,1052 11.716,1053 0.463,1054 14.444,1055 2.136,1056 8.838,1057 11.302,1058 0.188,1059 17.525,1060 8.492,1061 13.171,1062 -0.341,1063 16.277,1064 1.239,1065 10.137,1066 12.998,1067 0.57,1068 20.041,1069 9.749,1070 3.319,1071 -0.41,1072 18.127,1073 -0.846,1074 11.151,1075 14.404,1076 0.125,1077 22.378,1078 10.711,1079 2.855,1080 11.762,1081 19.988,1082 -1.005,1083 12.365,1084 16.016,1085 0.438,1086 24.844,1087 11.879,1088 2.742,1089 9.524,1090 21.86,1091 4.866,1092 13.469,1093 17.517,1094 0.082,1095 27.245,1096 12.931,1097 2.274,1098 8.995,1099 23.74,1100 3.917,1101 14.654,1102 19.101,1103 0.334,1104 29.699,1105 14.069,1106 2.088,1107 6.72,1108 25.627,1109 3.615,1110 15.8,1111 20.643,1112 0.054,1113 32.13,1114 15.163,1115 1.82,1116 6.043,1117 27.519,1118 3.018,1119 16.98,1120 22.22,1121 0.252,1122 34.584,1123 16.293,1124 1.552,1125 5.376,1126 29.416,1127 2.819,1128 18.146,1129 23.782,1130 0.035,1131 37.03,1132 17.408,1133 6991,1134 11518,1135 20.978,1136 29.506,1137 45.956,1138 46.037,1139 46.388,1140 45.864,1141 45.817,1142 61.92,1143 3.32,1144 134.731,1145 43.384,1146 5.779,1147 5.38,1148 6.739,1149 5.373,1150 5.319,1151 7.866,1152 1.72,1153 19.31,1154 5.155,1155 6.541,1156 1.532,1157 1.535,1158 1.546,1159 1.529,1160 1.527,1161 2.064,1162 0.111,1163 4.491,1164 1.446,1165 4.209,1166 4.255,1167 4.192,1168 4.064,1169 6.471,1170 4.09,1171 3.895,1172 3.92,1173 3.844,1174 3.827,1175 5.171,1176 3.827,1177 3.768,1178 3.822,1179 3.671,1180 3.567,1181 4.797,1182 3.585,1183 3.542,1184 3.595,1185 3.469,1186 3.368,1187 4.616,1188 3.383,1189 3.141,1190 3.206,1191 3.072,1192 3.018,1193 4.532,1194 3.028,1195 3.111,1196 3.184,1197 2.879,1198 2.941,1199 4.078,1200 2.91,1201 2.948,1202 3.014,1203 2.866,1204 2.746,1205 4.026,1206 2.75,1207 2.928,1208 2.97,1209 2.809,1210 2.7,1211 3.804,1212 2.726,1213 0.159,1214 0.113,1215 0.231,1216 0.142,1217 0.111,1218 4.779,1219 0.162,1220 3.38,1221 0.029,1222 6.937,1223 0.392,1224 4.27,1225 0.105,1226 3.319,1227 4.866,1228 0.86,1229 11.762,1230 3.155,1231 1.945,1232 1.911,1233 2.019,1234 2.122,1235 1.218,1236 2.085,1237 1.858,1238 1.826,1239 1.947,1240 1.979,1241 1.084,1242 1.972,1243 1.779,1244 1.736,1245 1.93,1246 1.944,1247 1.021,1248 1.945,1249 1.578,1250 1.526,1251 1.714,1252 1.801,1253 0.847,1254 1.783,1255 1.153,1256 1.08,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.122,1262 1.064,1263 1.283,1264 1.268,1265 0.352,1266 1.278,1267 0.931,1268 0.885,1269 1.143,1270 1.159,1271 0.239,1272 1.135,1273 0.883,1274 0.838,1275 1.096,1276 1.134,1277 0.222,1278 1.123,1279 4.111,1281 5.451,1282 2.398,1283 7.002,1284 4.844,1285 8.648,1286 7.066,1287 10.344,1294 9.838,1295 2.911,1297 5.486,1300 2.214,1305 28.697,1306 69.522,1307 157.678,1308 193.678,1309 213.329,1310 213.329,1311 213.329,1312 31.152,1313 7.938,1314 75.78,1315 75.78,1316 29,1317 12.791,1318 4.459,1319 3.524,1320 33.517,1321 83,1322 75,1323 0.205,1324 171.675,1325 280.68,1326 410.648,1327 28842,1329 17.51,1330 0.673,1331 0.54,1332 17.51,1333 14.039,1334 12.793,1335 0.426,1336 0.285,1337 8.411,1338 12.206,1339 8.298,1340 6.784,1341 12.793,1342 8.561,1343 11.597,1344 0.27,1345 0.146,1346 11.597,1347 6.258,1348 10.241,1349 0.168,1350 0.075,1351 10.241,1352 4.597,1353 9.145,1354 0.105,1355 0.038,1356 9.145,1357 3.337,1358 7.995,1359 0.067,1360 0.019,1361 7.995,1362 2.335,1363 0.306,1364 80.717,1365 0.218,1366 24.334,1367 0.613,1368 146,1369 424.111,1370 162.084,1371 408.212,1372 575.41,1373 386,1374 177,1375 442.636,1376 195.14,1377 443.61,1378 659.9,1379 420,1380 7.474}
{0 CHEMBL1934301,1 1.641,2 9.552,3 3.2,4 10.241,5 105.524,6 8.114,7 0.636,8 4.016,9 4.12,10 3.671,11 3.531,12 5.149,13 3.548,14 4.555,15 4.709,16 4.049,17 3.902,18 5.708,19 3.915,20 4.753,21 4.939,22 4.08,23 4.011,24 5.83,25 4,26 4.714,27 4.914,28 4.056,29 4.009,30 5.777,31 3.987,32 4.74,33 4.933,34 4.082,35 4.039,36 5.839,37 4.014,38 4.788,39 4.983,40 4.081,41 4.101,42 5.817,43 4.06,44 4.804,45 4.993,46 4.011,47 4.093,48 5.891,49 4.028,50 4.809,51 5.033,52 3.844,53 3.999,54 5.79,55 3.906,56 0.087,57 0.751,58 8.334,59 4.088,60 6.719,61 4.86,62 0.411,63 1.214,64 17.499,65 6.494,66 31.126,67 7.972,68 0.611,69 1.429,70 23.665,71 7.801,72 42.887,73 9.67,74 0.373,75 1.445,76 21.714,77 7.478,78 31.308,79 10.04,80 0.534,81 1.452,82 22.466,83 7.751,84 40.312,85 10.222,86 0.437,87 1.506,88 23.34,89 8.546,90 29.06,91 11.322,92 0.509,93 1.47,94 23.635,95 9.184,96 45.686,97 11.946,98 0.435,99 1.381,100 26.088,101 9.892,102 39.186,103 13.339,104 7,105 47,106 0.274,107 0.621,108 0.778,109 0.846,110 0.846,111 0.846,112 3.409,113 0.859,114 -4.06,115 -4,116 -3.79,119 43.8,120 1,125 4,142 7,143 1,144 1,145 1,146 1,147 1,149 1,152 2,158 1,166 1,172 5,174 3,175 10,183 4,186 4,187 13,195 3,198 2,199 9,207 3,211 5,212 9,220 4,223 2,224 7,232 6,236 4,237 6,245 4,249 2,250 7,258 3,262 2,263 5,271 1,275 1275,276 20.016,277 20.016,278 20.016,279 20.016,280 20.016,281 17.518,282 15.553,283 11.94,284 20.588,285 16.385,286 16.385,287 16.385,288 16.385,289 16.385,290 12.518,291 20.025,292 5.749,293 17.312,294 3.944,295 1.869,296 0.925,297 0.516,298 0.516,299 0.516,300 4.124,303 1,304 1,305 1,306 616,307 2.915,310 44.462,311 266.023,314 176.17,318 1.391,319 26.803,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 277,332 4.779,333 3.656,334 6.937,335 4.27,336 3.319,337 4.866,338 2.443,339 11.762,340 3.155,341 4.256,342 3.38,343 6.307,344 3.835,345 2.869,346 3.925,347 0.86,348 9.529,349 2.774,350 4.058,351 2.973,352 6.132,353 3.694,354 2.755,355 3.631,356 0.8,357 9.04,358 2.582,359 3.746,360 2.873,361 5.465,362 3.385,363 2.448,364 3.092,365 0.286,366 7.151,367 2.277,368 3.499,369 2.506,370 5.388,371 3.092,372 2.144,373 2.849,375 6.639,376 2.025,377 3.354,378 2.334,379 4.94,380 2.909,381 1.916,382 2.587,384 5.399,385 1.883,386 3.185,387 2.046,388 4.534,389 2.755,390 1.816,391 2.393,393 4.744,394 1.705,395 2.942,396 1.737,397 4.285,398 2.501,399 1.547,400 2.091,402 3.943,403 1.471,404 2.835,405 1.536,406 4.152,407 2.334,408 1.371,409 1.978,411 3.553,412 1.317,413 2.648,414 1.399,415 3.613,416 2.24,417 1.31,418 1.697,420 2.914,421 1.207,422 2.588,423 1.256,424 3.56,425 2.082,426 1.098,427 1.63,428 2.567,429 1.078,430 2.28,431 1.118,432 3.48,433 1.952,434 1,435 1.243,436 2.537,437 0.946,438 2,439 1.084,440 3.267,441 1.919,442 1,443 1,445 2.136,446 0.913,447 1.891,448 0.746,449 3.247,450 1.413,451 0.463,452 0.653,454 1.24,455 0.439,456 1.185,457 0.507,458 2.737,459 0.784,460 -0.151,461 -0.185,463 -0.387,464 -0.139,465 13.5,466 0.466,467 0.657,468 0.023,469 40.75,470 1.405,471 20.5,472 0.707,473 20.25,474 0.698,475 21.988,476 0.758,477 30.3,478 0.631,479 30.907,480 1.066,481 8.134,482 0.28,483 6.053,484 0.209,485 0.062,487 0.356,493 0.767,494 1.381,495 0.667,496 1.145,497 0.605,498 0.933,499 1.033,500 1.187,501 0.814,502 0.941,503 0.607,504 0.848,505 1.303,506 1.007,507 1.01,508 0.803,509 1.083,510 0.842,511 0.838,512 1.161,513 0.903,514 0.957,515 0.665,516 0.923,517 0.85,518 0.998,519 0.941,520 0.883,521 0.891,522 0.907,523 0.802,524 1.068,525 0.979,526 0.999,527 0.744,528 1.002,529 0.787,530 1.053,531 1.123,532 1.165,533 0.737,534 1.199,535 0.741,536 0.997,537 1.055,538 1.197,539 0.66,540 1.187,541 5,542 0.147,543 2.667,544 1.951,545 1.395,546 1.264,547 0.715,548 0.274,549 0.273,550 0.22,551 10225,552 28804,553 2.193,554 39.6,556 15,558 1,560 3,564 1.728,565 2.096,566 3.237,567 -0.717,568 1,569 1,573 78.764,574 1.641,575 3.716,576 4.66,577 5.069,578 5.069,579 5.069,580 2.664,581 4.513,582 4.827,583 3.399,584 1380.07,585 8.453,586 18014.4,588 1,590 1,591 268.078,592 1.247,593 4.809,594 0.152,595 0.008,596 0.057,597 0.041,598 0.03,599 0.026,600 0.015,601 0.006,602 0.008,603 0.009,604 0.351,605 0.33,606 0.88,607 0.769,608 144.086,609 0.003,610 -0.24,611 0.085,612 -0.146,613 -0.033,614 -0.042,615 0.006,616 -0.098,617 0.072,618 0.009,619 0.116,620 0.044,621 -0.173,622 0.045,623 -0.056,624 0.131,625 -0.141,626 0.064,627 -0.077,628 -0.063,629 0.006,630 -0.024,631 -0.002,632 0.007,633 0.016,634 0.092,635 -0.026,636 0.054,637 -0.02,638 0.015,639 -0.039,640 -0.003,641 -0.076,642 -0.036,643 -0.041,644 -0.051,645 0.037,646 -0.025,647 -0.215,648 -0.181,649 0.014,650 -0.235,651 0.051,652 -0.056,653 -0.076,654 -0.188,655 0.001,656 -0.156,657 2.032,658 4.325,659 0.862,660 25.617,661 1.014,662 1.126,663 2.825,664 7.981,665 0.682,666 3.526,667 3.871,668 4.19,669 4.543,670 4.852,671 5.024,672 5.283,673 5.493,674 5.609,675 5.743,676 5.933,677 0.665,678 389.45,679 3.526,680 5.081,681 5.953,682 6.855,683 7.752,684 8.666,685 9.576,686 10.497,687 11.415,688 12.34,689 10.4,695 1,697 1,699 3,701 1,703 3,704 8,705 3,709 4,711 21,726 1,731 48,733 22,734 1,735 33,737 52,738 21,739 15,740 2,741 4,746 5,747 8,752 1,761 16,762 5,766 1,771 1,775 1,778 1,781 19,782 7,784 8,790 5,794 0.6,795 3,805 1,807 1,811 1,812 4,815 2,829 1,839 1,840 3,844 1,848 29,854 4,856 2,859 1,870 6.3,873 1,874 1,875 1,877 13.833,878 9.167,879 6.25,880 2.914,881 4.337,882 1.531,883 1.023,884 4.623,885 12.507,886 3.818,887 4.474,888 5.146,889 5.868,890 6.534,891 7.029,892 7.622,893 8.173,894 8.565,895 9.018,896 1,897 48,898 10.693,900 4.608,901 7.718,902 20.42,904 16.912,905 2.218,906 64.333,909 1,910 223.651,911 124.311,912 54.522,914 47.145,917 124.311,918 270.796,919 54.522,920 8.825,921 13.396,922 66.334,923 105.341,924 37.237,925 6.616,926 211.88,928 223.651,929 178.833,930 47.145,933 225.979,934 36.145,935 11,937 34.577,938 91.695,939 50.234,941 223.651,942 101.667,943 124.311,946 223.651,947 40.105,948 88.495,950 97.379,951 223.651,952 101.667,953 124.311,955 0.579,956 0.333,957 0.197,958 0.115,959 25,960 10,961 0.077,962 4,963 2,964 1.16,965 4.007,966 277.36,967 0.16,968 25,969 136.881,974 18.043,975 7.43,976 3.436,977 2.68,978 100.503,979 14.909,980 14.122,984 2.625,987 449.629,988 44.5,993 11.325,997 -0.366,999 48.676,1000 54.026,1001 0.294,1002 0.665,1003 0.834,1004 0.908,1005 0.908,1006 0.908,1007 5.058,1008 1.547,1009 5.938,1010 4.744,1011 4.554,1012 5.162,1013 2.601,1014 6.781,1015 4.45,1016 6.276,1017 1.371,1018 7.505,1019 3.943,1020 4.111,1021 5.037,1022 2.283,1023 7.719,1024 3.965,1025 7.598,1026 1.31,1027 9.176,1028 3.553,1029 6.163,1030 7.464,1031 3.874,1032 10.881,1033 5.958,1034 8.958,1035 1.098,1036 10.91,1037 2.914,1038 6.567,1039 8.226,1040 4.273,1041 12.693,1042 6.315,1043 10.356,1044 1,1045 12.686,1046 2.567,1047 8.081,1048 10.127,1049 5.491,1050 15.366,1051 7.778,1052 11.781,1053 1,1054 14.491,1055 2.537,1056 8.891,1057 11.321,1058 6.159,1059 17.543,1060 8.54,1061 13.229,1062 0.463,1063 16.319,1064 2.136,1065 10.186,1066 13.012,1067 7.209,1068 20.056,1069 9.787,1070 3.319,1071 -0.151,1072 18.162,1073 1.24,1074 11.191,1075 14.414,1076 7.992,1077 22.388,1078 10.743,1079 2.869,1080 11.762,1081 20.019,1082 -0.387,1083 12.401,1084 16.024,1085 8.963,1086 24.852,1087 11.906,1088 2.755,1089 9.529,1090 21.887,1091 4.866,1092 13.499,1093 17.522,1094 9.802,1095 27.251,1096 12.953,1097 2.448,1098 9.04,1099 23.763,1100 3.925,1101 14.681,1102 19.105,1103 10.734,1104 29.704,1105 14.088,1106 2.144,1107 7.151,1108 25.646,1109 3.631,1110 15.823,1111 20.647,1112 11.599,1113 32.134,1114 15.179,1115 1.916,1116 6.639,1117 27.535,1118 3.092,1119 17,1120 22.223,1121 12.512,1122 34.586,1123 16.307,1124 1.816,1125 5.399,1126 29.43,1127 2.849,1128 18.164,1129 23.784,1130 13.391,1131 37.032,1132 17.42,1133 9548,1134 16162,1135 22.77,1136 32.722,1137 50.364,1138 51.284,1139 50.858,1140 50.122,1141 50.115,1142 67.272,1143 8.778,1144 146.307,1145 47.545,1146 5.779,1147 5.656,1148 6.739,1149 5.374,1150 5.319,1151 7.866,1152 4.174,1153 19.31,1154 5.155,1155 10.274,1156 1.526,1157 1.554,1158 1.541,1159 1.519,1160 1.519,1161 2.039,1162 0.266,1163 4.434,1164 1.441,1165 4.21,1166 4.255,1167 4.193,1168 4.065,1169 7.434,1170 4.09,1171 3.906,1172 3.927,1173 3.858,1174 3.832,1175 5.175,1176 3.834,1177 3.769,1178 3.823,1179 3.673,1180 3.568,1181 4.845,1182 3.586,1183 3.563,1184 3.608,1185 3.491,1186 3.373,1187 4.7,1188 3.39,1189 3.475,1190 3.508,1191 3.382,1192 3.249,1193 4.602,1194 3.274,1195 3.128,1196 3.206,1197 3.054,1198 3.008,1199 4.205,1200 3.016,1201 3.111,1202 3.176,1203 2.878,1204 2.941,1205 4.075,1206 2.91,1207 2.946,1208 3.014,1209 2.866,1210 2.715,1211 4.016,1212 2.726,1213 0.145,1214 0.111,1215 0.21,1216 0.129,1217 0.101,1218 4.779,1219 0.147,1220 3.656,1221 0.074,1222 6.937,1223 0.356,1224 4.27,1225 0.096,1226 3.319,1227 4.866,1228 2.443,1229 11.762,1230 3.155,1231 1.946,1232 1.914,1233 2.02,1234 2.122,1235 1.218,1236 2.086,1237 1.859,1238 1.827,1239 1.947,1240 1.98,1241 1.092,1242 1.972,1243 1.781,1244 1.739,1245 1.93,1246 1.952,1247 1.022,1248 1.948,1249 1.58,1250 1.527,1251 1.719,1252 1.808,1253 0.849,1254 1.787,1255 1.406,1256 1.368,1257 1.679,1258 1.664,1259 0.825,1260 1.663,1261 1.153,1262 1.074,1263 1.513,1264 1.376,1265 0.693,1266 1.429,1267 1.119,1268 1.064,1269 1.282,1270 1.261,1271 0.353,1272 1.275,1273 0.928,1274 0.879,1275 1.132,1276 1.149,1277 0.239,1278 1.125,1279 4.205,1281 5.541,1282 2.398,1283 7.081,1284 4.844,1285 8.715,1286 7.066,1287 10.402,1289 1.38,1295 2.834,1297 10.735,1300 2.207,1305 31.939,1306 78.764,1307 178.373,1308 223.672,1309 243.323,1310 243.323,1311 243.323,1312 37.399,1313 8.17,1314 81.85,1315 81.85,1316 29,1317 12.847,1318 4.524,1319 3.644,1320 39.255,1321 103,1322 110,1323 0.189,1324 191.929,1325 321.43,1326 460.066,1327 39077,1329 19.794,1330 0.683,1331 0.549,1332 19.794,1333 15.908,1334 14.187,1335 0.43,1336 0.286,1337 9.273,1338 13.46,1339 9.102,1340 7.463,1341 14.187,1342 9.45,1343 12.987,1344 0.276,1345 0.145,1346 12.987,1347 6.829,1348 10.893,1349 0.168,1350 0.075,1351 10.893,1352 4.846,1353 9.877,1354 0.106,1355 0.038,1356 9.877,1357 3.556,1358 8.505,1359 0.067,1360 0.019,1361 8.505,1362 2.469,1363 0.288,1364 89.897,1365 0.21,1366 26.898,1367 0.551,1368 160,1369 503.432,1370 180.512,1371 476.28,1372 664.53,1373 450,1374 192,1375 506.515,1376 213.13,1377 503.139,1378 745.85,1379 476,1380 7.304}
{0 CHEMBL1934302,1 1.619,2 10.3,3 3.867,4 14.954,5 110.151,6 7.911,7 0.618,8 4.067,9 4.174,10 3.7,11 3.581,12 5.179,13 3.591,14 4.613,15 4.773,16 4.072,17 3.955,18 5.728,19 3.957,20 4.823,21 5.021,22 4.125,23 4.057,24 5.889,25 4.041,26 4.779,27 4.975,28 4.083,29 4.039,30 5.87,31 4.021,32 4.765,33 4.956,34 4.117,35 4.08,36 5.857,37 4.054,38 4.836,39 5.026,40 4.123,41 4.165,42 5.861,43 4.117,44 4.892,45 5.092,46 4.055,47 4.167,48 5.94,49 4.091,50 4.876,51 5.101,52 3.901,53 4.065,54 5.847,55 3.966,56 0.074,57 0.79,58 9.354,59 4.424,60 6.462,61 5.425,62 0.394,63 1.278,64 19.331,65 7.069,66 31.411,67 9.001,68 0.574,69 1.505,70 26.429,71 8.586,72 41.445,73 11.218,74 0.473,75 1.489,76 24.494,77 7.854,78 45.033,79 10.364,80 0.511,81 1.493,82 23.464,83 8.044,84 39.185,85 10.816,86 0.403,87 1.586,88 24.685,89 9.149,90 28.042,91 12.294,92 0.511,93 1.585,94 27.164,95 10.317,96 48.009,97 13.869,98 0.398,99 1.478,100 28.228,101 10.702,102 39.058,103 14.685,104 8,105 48,106 0.267,107 0.614,108 0.787,109 0.85,110 0.85,111 0.85,112 3.442,113 0.883,114 -4.27,115 -4.21,116 -3.98,119 43.1,120 1,121 1,125 4,142 7,143 1,144 1,145 1,146 1,147 1,149 1,152 2,158 1,166 1,172 6,174 3,175 10,183 4,186 4,187 15,195 3,198 2,199 9,207 3,211 5,212 9,220 6,223 2,224 7,232 8,236 4,237 6,245 5,249 2,250 9,258 3,262 2,263 6,271 1,275 1446,276 20.886,277 20.886,278 20.886,279 20.886,280 20.886,281 18.441,282 16.766,283 12.415,284 21.458,285 16.795,286 16.795,287 16.795,288 16.795,289 16.795,290 12.925,291 20.696,292 5.894,293 17.718,294 4.053,295 1.956,296 0.91,297 0.525,298 0.525,299 0.525,300 4.156,304 1,305 1,306 686,307 3.082,310 47.094,311 280.129,314 186.023,318 1.5,319 27.977,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 65.5,331 309,332 4.779,333 3.703,334 6.937,335 4.27,336 3.319,337 4.866,338 2.443,339 11.762,340 3.155,341 4.257,342 3.38,343 6.307,344 3.836,345 2.871,346 3.925,347 0.86,348 9.529,349 2.775,350 4.059,351 2.973,352 6.132,353 3.696,354 2.757,355 3.631,356 0.8,357 9.042,358 2.583,359 3.772,360 2.876,361 5.477,362 3.431,363 2.485,364 3.104,365 0.286,366 7.263,367 2.336,368 3.518,369 2.51,370 5.422,371 3.12,372 2.163,373 2.858,375 6.655,376 2.063,377 3.401,378 2.335,379 4.943,380 2.981,381 2,382 2.667,384 5.44,385 1.941,386 3.186,387 2.046,388 4.785,389 2.757,390 1.819,391 2.397,393 5.277,394 1.707,395 2.945,396 1.737,397 4.353,398 2.504,399 1.551,400 2.095,402 4.034,403 1.473,404 2.841,405 1.536,406 4.171,407 2.347,408 1.388,409 1.989,411 3.573,412 1.328,413 2.649,414 1.399,415 3.613,416 2.24,417 1.311,418 1.697,420 2.914,421 1.207,422 2.589,423 1.256,424 3.56,425 2.083,426 1.099,427 1.631,428 2.568,429 1.079,430 2.28,431 1.118,432 3.485,433 1.952,434 1,435 1.243,436 2.544,437 0.946,438 2,439 1.084,440 3.268,441 1.919,442 1,443 1,445 2.136,446 0.913,447 1.891,448 1.02,449 3.247,450 1.414,451 0.464,452 0.653,454 1.24,455 0.439,456 1.507,457 0.587,458 2.834,459 1.367,460 0.382,461 0.409,463 0.557,464 0.37,465 14,466 0.467,467 0.619,468 0.021,469 41.25,470 1.375,471 20.5,472 0.683,473 20.75,474 0.692,475 23.739,476 0.791,477 31.6,478 0.62,479 31.593,480 1.053,481 8.075,482 0.269,483 6.65,484 0.222,485 0.06,487 0.343,493 0.762,494 1.387,495 0.69,496 1.157,497 0.602,498 0.954,499 1.016,500 1.199,501 0.831,502 0.971,503 0.641,504 0.88,505 1.225,506 1.016,507 0.922,508 0.823,509 0.985,510 0.817,511 1.209,512 1.102,513 1.005,514 0.883,515 1.205,516 0.887,517 0.864,518 1.001,519 0.926,520 0.874,521 0.894,522 0.891,523 0.803,524 1.114,525 1.01,526 1.054,527 0.761,528 1.052,529 0.751,530 1.035,531 1.08,532 1.137,533 0.718,534 1.161,535 0.712,536 1.078,537 1.033,538 1.236,539 0.638,540 1.201,541 5,542 0.16,543 2.889,544 1.951,545 1.395,546 1.264,547 0.736,548 0.302,549 0.273,550 0.23,551 11276,552 30473,553 2.186,554 41.2,555 3,556 15,558 1,560 2,564 1.736,565 2.093,566 3.318,567 -0.726,569 1,573 82.583,574 1.619,575 3.716,576 4.762,577 5.148,578 5.148,579 5.148,580 2.727,581 4.707,582 4.875,583 3.476,584 1511.9,585 8.547,586 20282.2,588 1,590 1,591 289.294,592 1.231,593 4.859,594 0.147,595 0.008,596 0.06,597 0.039,598 0.029,599 0.025,600 0.015,601 0.007,602 0.007,603 0.009,604 0.346,605 0.17,606 0.88,607 0.915,608 151.25,609 0.012,610 -0.232,611 0.085,612 -0.139,613 -0.021,614 -0.039,615 0.023,616 -0.107,617 0.069,618 -0.008,619 0.086,620 0.029,621 -0.1,622 0.025,623 0.052,624 0.119,625 -0.044,626 0.108,627 -0.189,628 -0.014,629 -0.061,630 0.044,631 -0.136,632 0.021,633 0.022,634 0.106,635 -0.014,636 0.068,637 -0.005,638 0.029,639 -0.042,640 -0.029,641 -0.119,642 -0.081,643 -0.059,644 -0.103,645 0.057,646 -0.014,647 -0.159,648 -0.144,649 0.022,650 -0.182,651 0.068,652 -0.13,653 -0.068,654 -0.225,655 0.017,656 -0.177,657 1.944,658 4.693,659 0.833,660 27.76,661 1.011,662 1.126,663 3.044,664 9.265,665 0.676,666 3.555,667 3.892,668 4.22,669 4.554,670 4.868,671 5.037,672 5.298,673 5.509,674 5.628,675 5.762,676 6.188,677 0.656,678 403.48,679 3.555,680 5.106,681 5.979,682 6.876,683 7.774,684 8.684,685 9.594,686 10.512,687 11.43,688 12.353,689 9.8,695 1,697 1,699 3,701 1,703 3,704 8,705 3,709 4,711 21,726 1,731 51,733 22,734 1,735 34,737 55,738 22,739 15,740 2,741 4,746 5,747 8,752 1,758 1,761 16,762 6,766 1,771 1,775 1,778 1,781 21,782 7,784 8,790 5,794 0.6,795 3,805 1,807 1,811 1,812 4,815 2,829 1,839 1,840 3,844 1,848 30,854 5,856 2,859 1,870 5.9,873 1,874 1,875 1,877 14.333,878 9.667,879 6.583,880 3.289,881 4.35,882 1.528,883 1.016,884 5.072,885 12.587,886 3.839,887 4.486,888 5.163,889 5.871,890 6.539,891 7.033,892 7.626,893 8.178,894 8.571,895 9.023,896 0.857,897 50,898 11.085,900 4.766,901 7.694,902 21.236,904 17.574,905 2.194,906 65.833,908 1,909 1,910 247.193,911 126.846,912 54.522,914 47.145,917 126.846,918 294.338,919 54.522,920 8.825,921 15.931,922 66.334,923 105.341,924 37.237,925 6.616,926 235.422,928 247.193,929 181.368,930 47.145,933 249.521,934 36.145,935 11,937 37.111,938 91.695,939 50.234,941 247.193,942 101.667,943 126.846,946 247.193,947 42.639,948 88.495,950 97.379,951 247.193,952 101.667,953 126.846,955 0.576,956 0.342,957 0.193,958 0.113,959 25,960 10,961 0.091,962 5,963 2,964 1.16,965 4.094,966 288.479,967 0.16,968 25,969 143.207,974 18.981,975 8.017,976 3.658,977 2.686,978 100.503,979 14.988,980 14.171,984 2.658,987 475.706,988 45.5,993 11.693,997 -0.278,999 51.56,1000 57.441,1001 0.285,1002 0.655,1003 0.84,1004 0.908,1005 0.908,1006 0.908,1007 5.077,1008 1.551,1009 5.958,1010 5.277,1011 4.575,1012 5.173,1013 2.601,1014 6.799,1015 4.473,1016 6.289,1017 1.388,1018 7.526,1019 4.034,1020 4.111,1021 5.037,1022 2.283,1023 7.735,1024 3.965,1025 7.609,1026 1.311,1027 9.196,1028 3.573,1029 6.184,1030 7.472,1031 3.874,1032 10.893,1033 5.983,1034 8.969,1035 1.099,1036 10.929,1037 2.914,1038 6.581,1039 8.231,1040 4.273,1041 12.702,1042 6.332,1043 10.367,1044 1,1045 12.703,1046 2.568,1047 8.098,1048 10.132,1049 5.491,1050 15.373,1051 7.8,1052 11.792,1053 1,1054 14.507,1055 2.544,1056 8.904,1057 11.325,1058 6.159,1059 17.547,1060 8.557,1061 13.239,1062 0.464,1063 16.332,1064 2.136,1065 10.199,1066 13.014,1067 7.209,1068 20.059,1069 9.803,1070 3.319,1071 0.382,1072 18.174,1073 1.24,1074 11.202,1075 14.416,1076 7.992,1077 22.39,1078 10.756,1079 2.871,1080 11.762,1081 20.029,1082 0.557,1083 12.411,1084 16.025,1085 8.963,1086 24.853,1087 11.917,1088 2.757,1089 9.529,1090 21.895,1091 4.866,1092 13.507,1093 17.523,1094 9.802,1095 27.252,1096 12.963,1097 2.485,1098 9.042,1099 23.77,1100 3.925,1101 14.688,1102 19.106,1103 10.734,1104 29.704,1105 14.095,1106 2.163,1107 7.263,1108 25.652,1109 3.631,1110 15.828,1111 20.647,1112 11.599,1113 32.134,1114 15.185,1115 2,1116 6.655,1117 27.54,1118 3.104,1119 17.004,1120 22.223,1121 12.512,1122 34.587,1123 16.312,1124 1.819,1125 5.44,1126 29.434,1127 2.858,1128 18.167,1129 23.784,1130 13.391,1131 37.032,1132 17.424,1133 10567,1134 17512,1135 23.463,1136 34.483,1137 51.199,1138 52.862,1139 52.36,1140 51.243,1141 51.217,1142 68.332,1143 8.778,1144 149.068,1145 48.63,1146 5.779,1147 5.703,1148 6.739,1149 5.374,1150 5.319,1151 7.866,1152 4.174,1153 19.31,1154 5.155,1155 10.553,1156 1.506,1157 1.555,1158 1.54,1159 1.507,1160 1.506,1161 2.01,1162 0.258,1163 4.384,1164 1.43,1165 4.21,1166 4.256,1167 4.193,1168 4.065,1169 7.432,1170 4.091,1171 3.908,1172 3.929,1173 3.859,1174 3.833,1175 5.175,1176 3.835,1177 3.769,1178 3.823,1179 3.674,1180 3.568,1181 4.845,1182 3.586,1183 3.615,1184 3.658,1185 3.52,1186 3.422,1187 4.7,1188 3.432,1189 3.526,1190 3.581,1191 3.434,1192 3.359,1193 4.602,1194 3.369,1195 3.141,1196 3.206,1197 3.064,1198 3.016,1199 4.208,1200 3.025,1201 3.111,1202 3.185,1203 2.879,1204 2.941,1205 4.076,1206 2.91,1207 3.011,1208 3.05,1209 2.866,1210 2.776,1211 4.021,1212 2.787,1213 0.141,1214 0.109,1215 0.204,1216 0.126,1217 0.098,1218 4.779,1219 0.143,1220 3.703,1221 0.072,1222 6.937,1223 0.346,1224 4.27,1225 0.093,1226 3.319,1227 4.866,1228 2.443,1229 11.762,1230 3.155,1231 1.947,1232 1.914,1233 2.021,1234 2.122,1235 1.218,1236 2.086,1237 1.859,1238 1.827,1239 1.948,1240 1.98,1241 1.095,1242 1.972,1243 1.782,1244 1.74,1245 1.931,1246 1.954,1247 1.024,1248 1.95,1249 1.586,1250 1.534,1251 1.842,1252 1.819,1253 1,1254 1.81,1255 1.557,1256 1.503,1257 1.713,1258 1.759,1259 0.848,1260 1.768,1261 1.153,1262 1.079,1263 1.513,1264 1.376,1265 0.825,1266 1.429,1267 1.122,1268 1.064,1269 1.283,1270 1.277,1271 0.353,1272 1.28,1273 0.943,1274 0.906,1275 1.179,1276 1.229,1277 0.239,1278 1.211,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.844,1285 8.734,1286 7.066,1287 10.419,1289 1.767,1295 3.152,1297 10.894,1300 2.212,1305 33.466,1306 82.583,1307 189.536,1308 242.887,1309 262.539,1310 262.539,1311 262.539,1312 41.178,1313 8.237,1314 81.85,1315 81.85,1316 29,1317 12.861,1318 4.524,1319 3.644,1320 41.273,1321 110,1322 132,1323 0.184,1324 201.521,1325 338.73,1326 483.472,1327 42816,1329 20.501,1330 0.683,1331 0.554,1332 20.501,1333 16.615,1334 14.725,1335 0.433,1336 0.294,1337 9.834,1338 14.014,1339 9.666,1340 7.942,1341 14.725,1342 10.01,1343 13.107,1344 0.273,1345 0.147,1346 13.107,1347 7.063,1348 11.52,1349 0.172,1350 0.076,1351 11.52,1352 5.105,1353 9.946,1354 0.106,1355 0.038,1356 9.946,1357 3.594,1358 8.678,1359 0.067,1360 0.02,1361 8.678,1362 2.534,1363 0.281,1364 93.125,1365 0.206,1366 27.762,1367 0.531,1368 164,1369 507.432,1370 184.512,1371 480.214,1372 671.33,1373 454,1374 197,1375 512.515,1376 218.795,1377 508.696,1378 756.25,1379 482,1380 6.264}
{0 CHEMBL1934303,1 1.598,2 11.032,3 4.323,4 18.691,5 114.752,6 7.732,7 0.6,8 4.115,9 4.225,10 3.729,11 3.629,12 5.208,13 3.632,14 4.668,15 4.832,16 4.095,17 4.005,18 5.757,19 3.997,20 4.887,21 5.095,22 4.147,23 4.109,24 5.914,25 4.081,26 4.847,27 5.054,28 4.128,29 4.083,30 5.926,31 4.06,32 4.828,33 5.014,34 4.142,35 4.107,36 5.942,37 4.086,38 4.859,39 5.047,40 4.156,41 4.201,42 5.879,43 4.154,44 4.935,45 5.13,46 4.097,47 4.227,48 5.979,49 4.147,50 4.957,51 5.19,52 3.95,53 4.142,54 5.898,55 4.033,56 0.062,57 0.829,58 10.358,59 4.761,60 6.113,61 5.985,62 0.379,63 1.342,64 21.119,65 7.642,66 31.56,67 10.011,68 0.563,69 1.586,70 29.006,71 9.366,72 41.644,73 12.64,74 0.434,75 1.565,76 27.172,77 8.628,78 43.741,79 11.857,80 0.617,81 1.538,82 26.237,83 8.431,84 52.676,85 11.17,86 0.377,87 1.628,88 25.743,89 9.467,90 26.428,91 12.912,92 0.481,93 1.664,94 28.522,95 10.936,96 47.622,97 14.825,98 0.391,99 1.591,100 31.357,101 11.777,102 40.755,103 16.431,104 9,105 49,106 0.261,107 0.607,108 0.794,109 0.853,110 0.853,111 0.853,112 3.473,113 0.901,114 -4.49,115 -4.42,116 -4.16,119 42.6,120 1,121 2,125 4,142 7,143 1,144 1,145 1,146 1,147 1,149 1,152 2,158 1,166 1,172 7,174 3,175 10,183 5,186 4,187 15,195 3,198 2,199 11,207 3,211 5,212 9,220 6,223 2,224 7,232 10,236 4,237 6,245 7,249 2,250 9,258 4,262 2,263 8,271 1,275 1632,276 21.593,277 21.593,278 21.593,279 21.593,280 21.593,281 19.148,282 16.766,283 13.015,284 22.165,285 17.333,286 17.333,287 17.333,288 17.333,289 17.333,290 13.485,291 20.696,292 6.178,293 18.256,294 4.156,295 2.042,296 0.896,297 0.532,298 0.532,299 0.532,300 4.186,304 1,305 1,306 758,307 3.24,310 49.841,311 294.775,314 196.283,318 1.646,319 28.736,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 67.5,331 342,332 4.779,333 3.707,334 6.937,335 4.27,336 3.319,337 4.866,338 2.443,339 11.762,340 3.155,341 4.257,342 3.38,343 6.307,344 3.837,345 2.871,346 3.925,347 0.86,348 9.529,349 2.776,350 4.059,351 2.973,352 6.132,353 3.696,354 2.757,355 3.631,356 0.8,357 9.042,358 2.584,359 3.778,360 2.877,361 5.48,362 3.443,363 2.495,364 3.105,365 0.286,366 7.29,367 2.354,368 3.523,369 2.511,370 5.425,371 3.131,372 2.171,373 2.86,375 6.659,376 2.077,377 3.409,378 2.335,379 4.944,380 2.997,381 2.022,382 2.68,384 5.528,385 1.951,386 3.186,387 2.046,388 4.822,389 2.758,390 1.819,391 2.398,393 5.352,394 1.708,395 2.946,396 1.737,397 4.358,398 2.506,399 1.553,400 2.097,402 4.057,403 1.474,404 2.843,405 1.537,406 4.172,407 2.358,408 1.4,409 1.992,411 3.579,412 1.338,413 2.649,414 1.399,415 3.613,416 2.24,417 1.311,418 1.697,420 2.914,421 1.207,422 2.589,423 1.353,424 3.561,425 2.085,426 1.103,427 1.631,428 2.568,429 1.081,430 2.28,431 1.256,432 3.487,433 2.004,434 1,435 1.243,436 2.55,437 0.996,438 2.119,439 1.117,440 3.269,441 1.952,442 1,443 1.07,445 2.136,446 0.946,447 2,448 1.084,449 3.247,450 1.919,451 1,452 1,454 1.66,455 0.913,456 1.891,457 0.687,458 3.088,459 1.413,460 0.463,461 0.653,463 1.239,464 0.439,465 14.5,466 0.468,467 0.619,468 0.02,469 41.75,470 1.347,471 20.5,472 0.661,473 21.25,474 0.685,475 25.517,476 0.823,477 32.9,478 0.609,479 32.192,480 1.038,481 8.075,482 0.26,483 7.15,484 0.231,485 0.057,487 0.331,493 0.759,494 1.392,495 0.712,496 1.169,497 0.598,498 0.973,499 1.002,500 1.211,501 0.848,502 0.997,503 0.633,504 0.909,505 1.191,506 1.011,507 0.908,508 0.831,509 0.99,510 0.822,511 1.136,512 1.105,513 0.922,514 0.897,515 1.103,516 0.86,517 1.235,518 0.95,519 1.025,520 0.809,521 1.43,522 0.86,523 0.818,524 1.116,525 0.997,526 1.042,527 0.764,528 1.034,529 0.755,530 1.078,531 1.105,532 1.18,533 0.737,534 1.198,535 0.685,536 1.061,537 1.004,538 1.204,539 0.628,540 1.168,541 5,542 0.168,543 2.889,544 2.076,545 1.395,546 1.264,547 0.736,548 0.318,549 0.294,550 0.23,551 12463,552 32362,553 2.18,554 42.6,555 5,556 15,558 1,560 2,564 1.743,565 2.09,566 3.393,567 -0.735,569 1,573 86.316,574 1.598,575 3.713,576 4.858,577 5.222,578 5.222,579 5.222,580 2.865,581 4.761,582 4.921,583 3.561,584 1655.76,585 8.636,586 22841.6,588 1,590 1,591 310.764,592 1.215,593 4.907,594 0.143,595 0.007,596 0.059,597 0.041,598 0.028,599 0.025,600 0.014,601 0.007,602 0.008,603 0.008,604 0.339,605 0.17,606 0.88,607 1.054,608 158.614,609 0.02,610 -0.224,611 0.086,612 -0.132,613 -0.01,614 -0.036,615 0.038,616 -0.115,617 0.064,618 -0.023,619 0.098,620 0.015,621 -0.074,622 0.024,623 0.075,624 0.117,625 -0.053,626 0.114,627 -0.12,628 -0.03,629 0.04,630 0.038,631 -0.04,632 0.066,633 -0.085,634 0.148,635 -0.073,636 0.127,637 -0.13,638 0.043,639 -0.04,640 -0.014,641 -0.105,642 -0.061,643 -0.049,644 -0.083,645 0.051,646 -0.037,647 -0.195,648 -0.178,649 0.006,650 -0.221,651 0.078,652 -0.112,653 -0.041,654 -0.191,655 0.018,656 -0.142,657 1.91,658 4.924,659 0.806,660 30.233,661 1.008,662 1.127,663 3.259,664 10.62,665 0.671,666 3.584,667 3.912,668 4.234,669 4.575,670 4.875,671 5.05,672 5.308,673 5.521,674 5.642,675 5.778,676 6.483,677 0.648,678 417.51,679 3.584,680 5.13,681 5.999,682 6.895,683 7.789,684 8.698,685 9.606,686 10.523,687 11.439,688 12.362,689 9.3,695 1,697 1,699 3,701 1,703 3,704 8,705 3,709 4,711 21,726 1,731 54,733 22,734 1,735 35,737 58,738 23,739 15,740 2,741 4,746 5,747 8,752 1,758 2,761 16,762 7,766 1,771 1,775 1,778 1,781 23,782 7,784 8,790 5,794 0.6,795 3,805 1,807 1,811 1,812 4,815 2,829 1,839 1,840 3,844 1,848 31,854 6,856 2,859 1,870 5.6,873 1,874 1,875 1,877 14.833,878 10.167,879 6.833,880 3.539,881 4.361,882 1.525,883 1.01,884 5.538,885 12.661,886 3.861,887 4.497,888 5.169,889 5.879,890 6.54,891 7.036,892 7.628,893 8.181,894 8.574,895 9.027,896 1,897 51,898 11.47,900 4.917,901 7.672,902 22.053,904 18.241,905 2.172,906 67.333,908 1,909 1,910 270.735,911 129.38,912 54.522,914 47.145,917 129.38,918 317.88,919 54.522,920 8.825,921 18.465,922 66.334,923 105.341,924 37.237,925 6.616,926 258.964,928 270.735,929 183.903,930 47.145,933 273.063,934 36.145,935 11,937 39.646,938 91.695,939 50.234,941 270.735,942 101.667,943 129.38,946 270.735,947 45.174,948 88.495,950 97.379,951 270.735,952 101.667,953 129.38,955 0.572,956 0.336,957 0.196,958 0.11,959 25,960 10,961 0.103,962 6,963 2,964 1.16,965 4.192,966 299.055,967 0.16,968 25,969 149.58,974 19.921,975 8.618,976 3.99,977 2.691,978 100.503,979 15.046,980 14.212,984 2.68,987 501.783,988 46.5,993 11.924,997 -0.243,999 54.443,1000 60.857,1001 0.278,1002 0.645,1003 0.844,1004 0.907,1005 0.907,1006 0.907,1007 5.095,1008 1.553,1009 5.974,1010 5.352,1011 4.595,1012 5.185,1013 2.601,1014 6.81,1015 4.496,1016 6.302,1017 1.4,1018 7.536,1019 4.057,1020 4.111,1021 5.037,1022 2.283,1023 7.735,1024 3.965,1025 7.618,1026 1.311,1027 9.203,1028 3.579,1029 6.196,1030 7.475,1031 3.874,1032 10.899,1033 5.998,1034 8.976,1035 1.103,1036 10.934,1037 2.914,1038 6.581,1039 8.231,1040 4.273,1041 12.703,1042 6.332,1043 10.372,1044 1,1045 12.707,1046 2.568,1047 8.106,1048 10.133,1049 5.491,1050 15.376,1051 7.81,1052 11.795,1053 1,1054 14.51,1055 2.55,1056 8.906,1057 11.325,1058 6.159,1059 17.548,1060 8.56,1061 13.242,1062 1,1063 16.335,1064 2.136,1065 10.204,1066 13.015,1067 7.209,1068 20.06,1069 9.81,1070 3.319,1071 0.463,1072 18.176,1073 1.66,1074 11.204,1075 14.416,1076 7.992,1077 22.39,1078 10.759,1079 2.871,1080 11.762,1081 20.031,1082 1.239,1083 12.414,1084 16.025,1085 8.963,1086 24.854,1087 11.922,1088 2.757,1089 9.529,1090 21.896,1091 4.866,1092 13.509,1093 17.523,1094 9.802,1095 27.252,1096 12.965,1097 2.495,1098 9.042,1099 23.771,1100 3.925,1101 14.69,1102 19.106,1103 10.734,1104 29.705,1105 14.098,1106 2.171,1107 7.29,1108 25.653,1109 3.631,1110 15.83,1111 20.647,1112 11.599,1113 32.134,1114 15.187,1115 2.022,1116 6.659,1117 27.541,1118 3.105,1119 17.006,1120 22.223,1121 12.512,1122 34.587,1123 16.314,1124 1.819,1125 5.528,1126 29.434,1127 2.86,1128 18.168,1129 23.784,1130 13.391,1131 37.032,1132 17.425,1133 11713,1134 19030,1135 24.156,1136 36.245,1137 52.756,1138 53.952,1139 53.685,1140 52.587,1141 52.571,1142 69.698,1143 8.778,1144 151.728,1145 49.995,1146 5.779,1147 5.707,1148 6.739,1149 5.374,1150 5.319,1151 7.866,1152 4.174,1153 19.31,1154 5.155,1155 10.827,1156 1.507,1157 1.541,1158 1.534,1159 1.502,1160 1.502,1161 1.991,1162 0.251,1163 4.335,1164 1.428,1165 4.21,1166 4.256,1167 4.193,1168 4.065,1169 7.432,1170 4.091,1171 3.909,1172 3.931,1173 3.86,1174 3.833,1175 5.175,1176 3.835,1177 3.769,1178 3.823,1179 3.674,1180 3.568,1181 4.845,1182 3.586,1183 3.67,1184 3.722,1185 3.552,1186 3.509,1187 4.7,1188 3.505,1189 3.536,1190 3.59,1191 3.451,1192 3.366,1193 4.602,1194 3.379,1195 3.226,1196 3.259,1197 3.104,1198 3.03,1199 4.21,1200 3.044,1201 3.115,1202 3.206,1203 3.015,1204 2.941,1205 4.08,1206 2.946,1207 3.111,1208 3.165,1209 2.878,1210 2.929,1211 4.05,1212 2.91,1213 0.137,1214 0.106,1215 0.198,1216 0.122,1217 0.095,1218 4.779,1219 0.139,1220 3.707,1221 0.07,1222 6.937,1223 0.336,1224 4.27,1225 0.09,1226 3.319,1227 4.866,1228 2.443,1229 11.762,1230 3.155,1231 1.947,1232 1.915,1233 2.021,1234 2.122,1235 1.218,1236 2.086,1237 1.859,1238 1.827,1239 1.949,1240 1.98,1241 1.171,1242 1.972,1243 1.782,1244 1.74,1245 1.936,1246 1.957,1247 1.09,1248 1.953,1249 1.653,1250 1.596,1251 1.916,1252 1.848,1253 1.022,1254 1.868,1255 1.577,1256 1.524,1257 1.714,1258 1.791,1259 0.849,1260 1.78,1261 1.153,1262 1.109,1263 1.513,1264 1.426,1265 0.825,1266 1.429,1267 1.146,1268 1.064,1269 1.428,1270 1.376,1271 0.53,1272 1.416,1273 1.1,1274 1.051,1275 1.282,1276 1.259,1277 0.353,1278 1.273,1279 4.263,1281 5.587,1282 2.398,1283 7.119,1284 4.844,1285 8.747,1286 7.066,1287 10.429,1289 1.949,1295 3.97,1297 10.995,1300 2.216,1305 34.993,1306 86.316,1307 200.509,1308 262.358,1309 282.009,1310 282.009,1311 282.009,1312 44.487,1313 8.301,1314 81.85,1315 81.85,1316 29,1317 12.87,1318 4.524,1319 3.644,1320 43.35,1321 118,1322 154,1323 0.178,1324 211.114,1325 356.03,1326 506.877,1327 46801,1329 21.209,1330 0.684,1331 0.559,1332 21.209,1333 17.322,1334 15.225,1335 0.435,1336 0.3,1337 10.334,1338 14.514,1339 10.153,1340 8.37,1341 15.225,1342 10.51,1343 13.487,1344 0.275,1345 0.152,1346 13.487,1347 7.459,1348 11.605,1349 0.171,1350 0.078,1351 11.605,1352 5.27,1353 10.39,1354 0.108,1355 0.039,1356 10.39,1357 3.777,1358 8.727,1359 0.067,1360 0.02,1361 8.727,1362 2.561,1363 0.274,1364 96.125,1365 0.203,1366 28.652,1367 0.508,1368 168,1369 511.432,1370 188.512,1371 484.459,1372 677.13,1373 458,1374 201,1375 516.515,1376 222.795,1377 513.036,1378 762.53,1379 486,1380 6.292}
{0 CHEMBL1934304,1 1.524,2 12,3 6.154,4 37.877,5 133.129,6 7.176,7 0.538,8 4.287,9 4.407,10 3.835,11 3.8,12 5.323,13 3.782,14 4.86,15 5.042,16 4.193,17 4.188,18 5.865,19 4.15,20 5.113,21 5.341,22 4.279,23 4.317,24 6.056,25 4.259,26 5.127,27 5.35,28 4.285,29 4.318,30 6.133,31 4.268,32 5.13,33 5.337,34 4.321,35 4.352,36 6.199,37 4.303,38 5.179,39 5.387,40 4.297,41 4.426,42 6.173,43 4.355,44 5.183,45 5.402,46 4.247,47 4.453,48 6.147,49 4.348,50 5.202,51 5.444,52 4.13,53 4.389,54 6.093,55 4.259,56 0.027,57 0.984,58 14.224,59 6.113,60 8.33,61 8.179,62 0.33,63 1.599,64 27.902,65 9.932,66 36.483,67 13.888,68 0.479,69 1.93,70 38.008,71 12.484,72 43.388,73 17.935,74 0.462,75 1.953,76 38.587,77 12.122,78 57.988,79 17.419,80 0.634,81 1.961,82 38.466,83 12.321,84 69.775,85 17.328,86 0.579,87 2.058,88 40.128,89 13.477,90 61.653,91 18.904,92 0.464,93 2.079,94 39.517,95 14.844,96 57.88,97 21.131,98 0.319,99 2.014,100 41.109,101 15.514,102 48.067,103 22.276,104 21,105 54,106 0.24,107 0.557,108 0.749,109 0.815,110 0.815,111 0.815,112 3.589,113 0.959,114 -5.31,115 -5.2,116 -4.86,119 40.9,120 2,121 4,122 1,125 4,142 7,143 1,144 1,145 1,146 1,147 1,149 1,152 2,158 1,166 1,172 11,174 3,175 10,183 9,186 4,187 17,195 7,198 2,199 13,207 6,211 5,212 13,220 10,223 2,224 7,232 15,236 4,237 6,245 14,249 2,250 11,258 9,262 2,263 11,271 3,275 2317,276 24.378,277 24.378,278 24.378,279 24.378,280 24.378,281 21.957,282 17.979,283 14.761,284 24.95,285 19.26,286 19.26,287 19.26,288 19.26,289 19.26,290 15.441,291 22.838,292 6.89,293 20.18,294 4.52,295 2.511,296 1.29,297 0.871,298 0.871,299 0.871,300 4.299,305 1,306 918,307 3.937,310 60.926,311 353.771,314 237.654,318 1.771,319 31.947,322 1,323 0.83,324 0.83,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75.5,331 420,332 4.779,333 3.814,334 6.937,335 4.27,336 3.319,337 4.866,338 2.443,339 11.762,340 3.155,341 4.26,342 3.38,343 6.307,344 3.861,345 2.892,346 3.925,347 0.86,348 9.53,349 2.8,350 4.074,351 2.973,352 6.141,353 3.76,354 2.796,355 3.633,356 0.8,357 9.068,358 2.719,359 3.936,360 2.887,361 6.034,362 3.674,363 2.713,364 3.18,365 0.286,366 8.624,367 2.577,368 3.614,369 2.531,370 5.457,371 3.249,372 2.303,373 2.946,375 6.876,376 2.168,377 3.457,378 2.341,379 5.289,380 3.052,381 2.107,382 2.806,384 6.569,385 1.983,386 3.188,387 2.128,388 4.938,389 2.762,390 1.822,391 2.403,393 5.391,394 1.713,395 2.964,396 2.044,397 4.414,398 2.568,399 1.601,400 2.116,402 4.239,403 1.537,404 2.878,405 1.737,406 4.198,407 2.482,408 1.516,409 2.025,411 3.665,412 1.457,413 2.708,414 1.536,415 4.066,416 2.306,417 1.329,418 1.708,420 3.38,421 1.292,422 2.647,423 1.399,424 3.613,425 2.247,426 1.308,427 1.679,428 2.914,429 1.247,430 2.586,431 1.256,432 3.56,433 2.24,434 1.247,435 1.619,436 2.567,437 1.206,438 2.28,439 1.247,440 3.482,441 2.082,442 1.098,443 1.247,445 2.531,446 1.078,447 2.247,448 1.118,449 3.268,450 1.952,451 1,452 1.243,454 2.136,455 0.946,456 2,457 1.084,458 3.247,459 1.919,460 1,461 1,463 2.117,464 0.913,465 16.5,466 0.471,467 0.671,468 0.019,469 43.75,470 1.25,471 20.5,472 0.586,473 23.25,474 0.664,475 34.17,476 0.976,477 38.1,478 0.577,479 34.775,480 0.994,481 8.049,482 0.23,483 9.124,484 0.261,485 0.081,487 0.321,493 0.751,494 1.409,495 0.789,496 1.21,497 0.608,498 1.039,499 0.96,500 1.222,501 0.881,502 1.044,503 0.622,504 0.963,505 1.065,506 1.031,507 0.854,508 0.891,509 0.882,510 0.849,511 1.288,512 1.055,513 0.938,514 0.896,515 1.414,516 0.864,517 1.321,518 0.981,519 1.001,520 0.892,521 1.571,522 0.897,523 1.306,524 0.997,525 1.095,526 0.938,527 1.53,528 0.978,529 0.69,530 1.051,531 1.032,532 1.128,533 0.691,534 1.128,535 0.624,536 1.122,537 0.977,538 1.212,539 0.613,540 1.159,541 5.5,542 0.251,543 3.556,544 2.326,545 1.795,546 1.375,547 0.758,548 0.424,549 0.339,550 0.272,551 17463,552 40254,553 2.141,554 47,555 14,556 15,558 1,560 1,564 1.772,565 2.039,566 3.544,567 -0.765,573 100.603,574 1.524,575 3.534,576 4.754,577 5.173,578 5.173,579 5.173,580 2.914,581 4.729,582 5.099,583 3.737,584 2223.32,585 8.981,586 34136.7,591 398.93,592 1.271,593 5.076,594 0.141,595 0.008,596 0.066,597 0.04,598 0.031,599 0.023,600 0.013,601 0.008,602 0.007,603 0.007,604 0.344,605 0.17,606 0.75,607 1.362,608 187.587,609 0.045,610 -0.197,611 0.084,612 -0.11,613 0.009,614 -0.027,615 0.08,616 -0.111,617 0.071,618 -0.031,619 0.12,620 0.008,621 0.018,623 0.138,624 0.08,625 0.03,626 0.115,627 -0.102,628 -0.009,629 0.065,630 0.059,631 -0.067,632 0.083,633 -0.033,634 0.08,635 0.002,636 0.073,637 -0.033,638 0.044,639 -0.146,640 0.055,641 -0.112,642 0.05,643 -0.184,644 -0.015,645 0.084,646 -0.01,647 -0.095,648 -0.101,649 0.039,650 -0.121,651 0.096,652 -0.15,653 -0.031,654 -0.187,655 0.018,656 -0.135,657 1.835,658 5.804,659 0.714,660 37.92,661 1,662 1.129,663 4.083,664 16.672,665 0.656,666 3.689,667 4.007,668 4.331,669 4.654,670 4.942,671 5.094,672 5.352,673 5.565,674 5.694,675 5.835,676 7.318,677 0.623,678 473.63,679 3.689,680 5.231,681 6.098,682 6.989,683 7.881,684 8.785,685 9.69,686 10.601,687 11.514,688 12.431,689 7.6,695 1,697 1,699 3,701 1,703 3,704 8,705 3,709 4,711 21,726 1,731 66,733 22,734 1,735 39,737 70,738 27,739 15,740 2,741 4,746 5,747 8,752 2,758 4,761 16,762 11,763 1,766 1,771 1,775 1,781 31,782 7,784 8,790 5,794 0.6,795 3,805 1,807 1,811 1,812 4,815 2,829 1,839 1,840 3,844 2,848 35,854 8,856 2,858 1,859 1,870 4.5,873 1,874 1,875 1,877 17.167,878 12.5,879 7.861,880 4.58,881 4.39,882 1.515,883 0.985,884 7.263,885 12.912,886 3.942,887 4.551,888 5.214,889 5.904,890 6.557,891 7.045,892 7.638,893 8.19,894 8.586,895 9.039,896 0.875,897 58,898 13.005,900 5.535,901 7.605,902 25.259,904 20.937,905 2.105,906 73.667,910 364.904,911 143.274,912 54.522,914 47.145,917 143.274,918 412.049,919 54.522,920 17.65,921 23.534,922 66.334,923 105.341,924 37.237,925 6.616,926 353.133,928 364.904,929 197.797,930 47.145,933 367.232,934 36.145,935 11,937 53.54,938 91.695,939 50.234,941 364.904,942 101.667,943 143.274,946 364.904,947 50.243,948 97.32,950 97.379,951 364.904,952 101.667,953 143.274,955 0.566,956 0.34,957 0.2,958 0.114,959 26,960 11,961 0.129,962 9,963 2,964 1.16,965 4.481,966 347.291,967 0.16,968 25,969 169.525,974 23.716,975 10.718,976 5.024,977 2.702,978 100.503,979 15.22,980 14.356,984 2.724,987 609.846,988 50.5,993 12.804,997 -0.168,999 65.978,1000 74.517,1001 0.252,1002 0.585,1003 0.787,1004 0.856,1005 0.856,1006 0.856,1007 5.178,1008 1.601,1009 6.071,1010 5.391,1011 4.691,1012 5.239,1013 2.601,1014 6.907,1015 4.602,1016 6.373,1017 1.516,1018 7.636,1019 4.239,1020 4.205,1021 5.075,1022 2.283,1023 7.84,1024 4.073,1025 7.684,1026 1.329,1027 9.306,1028 3.665,1029 6.293,1030 7.505,1031 3.874,1032 10.995,1033 6.115,1034 9.037,1035 1.308,1036 11.04,1037 3.38,1038 6.686,1039 8.257,1040 4.273,1041 12.794,1042 6.465,1043 10.43,1044 1.247,1045 12.816,1046 2.914,1047 8.205,1048 10.151,1049 5.491,1050 15.454,1051 7.94,1052 11.851,1053 1.098,1054 14.619,1055 2.567,1056 9.009,1057 11.34,1058 6.159,1059 17.614,1060 8.699,1061 13.294,1062 1,1063 16.443,1064 2.531,1065 10.299,1066 13.025,1067 7.209,1068 20.115,1069 9.944,1070 3.319,1071 1,1072 18.282,1073 2.136,1074 11.297,1075 14.424,1076 7.992,1077 22.434,1078 10.894,1079 2.892,1080 11.762,1081 20.133,1082 2.117,1083 12.5,1084 16.031,1085 8.963,1086 24.889,1087 12.05,1088 2.796,1089 9.53,1090 21.994,1091 4.866,1092 13.589,1093 17.527,1094 9.802,1095 27.279,1096 13.088,1097 2.713,1098 9.068,1099 23.863,1100 3.925,1101 14.763,1102 19.108,1103 10.734,1104 29.726,1105 14.213,1106 2.303,1107 8.624,1108 25.739,1109 3.633,1110 15.896,1111 20.649,1112 11.599,1113 32.15,1114 15.295,1115 2.107,1116 6.876,1117 27.621,1118 3.18,1119 17.066,1120 22.224,1121 12.512,1122 34.599,1123 16.413,1124 1.822,1125 6.569,1126 29.509,1127 2.946,1128 18.222,1129 23.785,1130 13.391,1131 37.041,1132 17.516,1133 16564,1134 25412,1135 26.641,1136 43.29,1137 58.319,1138 59.805,1139 59.917,1140 58.245,1141 58.214,1142 75.331,1143 8.778,1144 167.046,1145 55.627,1146 5.779,1147 5.814,1148 6.739,1149 5.374,1150 5.319,1151 7.866,1152 4.174,1153 19.31,1154 5.155,1155 14.252,1156 1.495,1157 1.533,1158 1.536,1159 1.493,1160 1.493,1161 1.932,1162 0.225,1163 4.283,1164 1.426,1165 4.211,1166 4.257,1167 4.193,1168 4.066,1169 7.432,1170 4.091,1171 3.92,1172 3.943,1173 3.867,1174 3.837,1175 5.176,1176 3.84,1177 3.796,1178 3.845,1179 3.689,1180 3.681,1181 4.845,1182 3.671,1183 3.768,1184 3.822,1185 3.661,1186 3.568,1187 4.7,1188 3.585,1189 3.541,1190 3.594,1191 3.465,1192 3.367,1193 4.602,1194 3.382,1195 3.501,1196 3.586,1197 3.279,1198 3.348,1199 4.247,1200 3.32,1201 3.316,1202 3.356,1203 3.197,1204 3.093,1205 4.136,1206 3.107,1207 3.127,1208 3.206,1209 3.044,1210 3.003,1211 4.072,1212 3.007,1213 0.123,1214 0.098,1215 0.178,1216 0.109,1217 0.085,1218 4.779,1219 0.125,1220 3.814,1221 0.063,1222 6.937,1223 0.302,1224 4.27,1225 0.081,1226 3.319,1227 4.866,1228 2.443,1229 11.762,1230 3.155,1231 1.947,1232 1.916,1233 2.042,1234 2.122,1235 1.377,1236 2.087,1237 1.86,1238 1.828,1239 2.011,1240 1.988,1241 1.218,1242 1.996,1243 1.808,1244 1.761,1245 1.947,1246 1.976,1247 1.092,1248 1.97,1249 1.771,1250 1.724,1251 1.929,1252 1.922,1253 1.09,1254 1.935,1255 1.578,1256 1.526,1257 1.861,1258 1.8,1259 1.022,1260 1.785,1261 1.539,1262 1.459,1263 1.714,1264 1.738,1265 0.849,1266 1.782,1267 1.261,1268 1.207,1269 1.571,1270 1.513,1271 0.825,1272 1.525,1273 1.153,1274 1.074,1275 1.513,1276 1.376,1277 0.741,1278 1.429,1279 4.369,1281 5.687,1282 2.398,1283 7.213,1284 4.844,1285 8.836,1286 7.066,1287 10.512,1289 4.188,1295 6.422,1297 11.356,1299 -0.076,1300 2.229,1305 41.1,1306 100.603,1307 233.237,1308 313.769,1309 341.42,1310 341.42,1311 341.42,1312 59.582,1313 8.522,1314 81.85,1315 81.85,1316 29,1317 12.943,1318 4.524,1319 3.644,1320 51.996,1321 151,1322 167,1323 0.165,1324 249.483,1325 425.23,1326 600.498,1327 63025,1329 24.2,1330 0.691,1331 0.58,1332 24.2,1333 20.314,1334 17.173,1335 0.44,1336 0.32,1337 12.293,1338 16.469,1339 12.029,1340 9.995,1341 17.173,1342 12.469,1343 14.908,1344 0.276,1345 0.165,1346 14.908,1347 8.931,1348 12.917,1349 0.172,1350 0.085,1351 12.917,1352 6.411,1353 11.384,1354 0.109,1355 0.045,1356 11.384,1357 4.667,1358 9.68,1359 0.07,1360 0.022,1361 9.68,1362 3.122,1363 0.257,1364 107.817,1365 0.194,1366 31.852,1367 0.459,1368 186,1369 529.432,1370 206.512,1371 503.531,1372 705.13,1373 476,1374 222,1375 538.515,1376 244.459,1377 536.379,1378 797.99,1379 508,1380 7.217}
{0 CHEMBL1934305,1 1.631,2 10.3,3 3.898,4 15.193,5 110.247,6 8.193,7 0.618,8 4.034,9 4.136,10 3.696,11 3.56,12 5.195,13 3.576,14 4.557,15 4.703,16 4.067,17 3.924,18 5.73,19 3.937,20 4.765,21 4.953,22 4.119,23 4.034,24 5.876,25 4.025,26 4.75,27 4.946,28 4.078,29 4.026,30 5.845,31 4.009,32 4.741,33 4.93,34 4.113,35 4.06,36 5.86,37 4.04,38 4.791,39 4.974,40 4.117,41 4.136,42 5.857,43 4.098,44 4.842,45 5.034,46 4.049,47 4.136,48 5.934,49 4.07,50 4.83,51 5.048,52 3.893,53 4.039,54 5.839,55 3.946,56 0.085,57 0.757,58 8.236,59 4.137,60 8.977,61 4.838,62 0.399,63 1.222,64 16.841,65 6.497,66 31.54,67 7.72,68 0.539,69 1.461,70 23.42,71 8.086,72 43.458,73 10.066,74 0.458,75 1.472,76 22.78,77 7.701,78 42.826,79 9.799,80 0.53,81 1.466,82 22.065,83 7.769,84 40.94,85 10.005,86 0.416,87 1.531,88 22.257,89 8.561,90 30.41,91 10.963,92 0.518,93 1.529,94 24.478,95 9.652,96 48.651,97 12.45,98 0.398,99 1.429,100 26.051,101 10.376,102 40.653,103 13.848,104 8,105 48,106 0.27,107 0.627,108 0.79,109 0.856,110 0.856,111 0.856,112 3.442,113 0.851,114 -4.2,115 -4.14,116 -3.92,119 44.9,125 4,134 1,135 1,142 7,143 1,144 1,145 1,146 1,147 1,149 1,152 2,158 1,166 1,172 6,174 3,175 10,183 4,186 4,187 15,195 3,198 2,199 9,207 3,211 5,212 9,220 6,223 2,224 7,232 8,236 4,237 6,245 5,249 2,250 9,258 3,262 2,263 6,271 1,275 1446,276 20.886,277 20.886,278 20.886,279 20.886,280 20.886,281 18.388,282 15.876,283 12.415,284 21.458,285 16.795,286 16.795,287 16.795,288 16.795,289 16.795,290 12.808,291 20.448,292 5.894,293 17.718,294 3.983,295 1.831,296 0.85,297 0.449,298 0.449,299 0.449,300 4.156,304 1,305 1,306 686,307 3.082,310 47.094,311 280.129,314 186.023,318 1.5,319 28.207,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 65.5,331 309,332 4.779,333 3.596,334 6.937,335 4.27,336 3.319,337 4.866,338 1.674,339 11.762,340 3.155,341 4.257,342 3.38,343 6.307,344 3.836,345 2.871,346 3.925,347 0.86,348 9.529,349 2.775,350 4.06,351 2.973,352 6.132,353 3.696,354 2.757,355 3.632,356 0.8,357 9.042,358 2.583,359 3.794,360 2.87,361 5.477,362 3.431,363 2.485,364 3.123,366 7.263,367 2.336,368 3.537,369 2.504,370 5.422,371 3.12,372 2.163,373 2.876,375 6.655,376 2.063,377 3.424,378 2.334,379 4.943,380 2.981,381 2,382 2.739,384 5.44,385 1.941,386 3.187,387 2.046,388 4.785,389 2.757,390 1.819,391 2.4,393 5.277,394 1.707,395 2.947,396 1.737,397 4.353,398 2.504,399 1.551,400 2.099,402 4.034,403 1.473,404 2.846,405 1.536,406 4.171,407 2.347,408 1.388,409 1.998,411 3.573,412 1.328,413 2.649,414 1.399,415 3.613,416 2.24,417 1.311,418 1.697,420 2.914,421 1.207,422 2.589,423 1.256,424 3.56,425 2.083,426 1.099,427 1.632,428 2.568,429 1.079,430 2.28,431 1.118,432 3.485,433 1.952,434 1,435 1.243,436 2.544,437 0.946,438 2.195,439 1.084,440 3.268,441 1.919,442 1,443 1,445 2.136,446 0.913,447 2,448 0.839,449 3.247,450 1.414,451 0.464,452 0.655,454 1.24,455 0.439,456 1.891,457 0.545,458 2.834,459 1.367,460 0.382,461 0.608,463 0.557,464 0.37,465 14,466 0.467,467 0.619,468 0.021,469 42.75,470 1.425,471 22,472 0.733,473 20.75,474 0.692,475 21.837,476 0.728,477 31,478 0.633,479 33.495,480 1.117,481 8.657,482 0.289,483 6.068,484 0.202,485 0.06,487 0.343,493 0.768,494 1.35,495 0.663,496 1.119,497 0.649,498 0.917,499 1.057,500 1.201,501 0.844,502 0.963,503 0.637,504 0.875,505 1.146,506 1.045,507 0.923,508 0.857,509 0.771,510 0.845,511 1.086,512 1.096,513 0.976,514 0.888,515 1.001,516 0.888,517 0.865,518 0.964,519 0.92,520 0.839,521 0.878,522 0.865,523 0.821,524 1.092,525 1.021,526 1.034,527 0.784,528 1.043,529 0.772,530 1.02,531 1.104,532 1.132,533 0.726,534 1.17,535 0.691,536 1.078,537 1.035,538 1.257,539 0.603,540 1.224,541 5,542 0.16,543 2.889,544 1.951,545 1.395,546 1.264,547 0.736,548 0.302,549 0.273,550 0.23,551 11276,552 32144,553 2.186,554 38.8,556 18,558 1,564 1.736,565 2.093,566 3.318,567 -0.726,569 1,573 79.938,574 1.631,575 3.784,576 4.765,577 5.166,578 5.166,579 5.166,580 2.727,581 4.707,582 4.875,583 3.476,584 1511.9,585 8.547,586 20282.2,588 1,590 1,591 275.121,592 1.231,593 4.859,594 0.147,595 0.008,596 0.06,597 0.039,598 0.029,599 0.025,600 0.015,601 0.007,602 0.007,603 0.009,604 0.346,605 0.33,606 0.88,607 0.915,608 151.25,609 0.003,610 -0.229,611 0.082,612 -0.141,613 -0.058,614 -0.042,615 -0.003,616 -0.111,617 0.027,618 -0.025,619 0.083,620 -0.001,621 -0.09,622 0.005,623 0.03,624 0.08,625 0.036,626 0.073,627 -0.157,628 -0.015,629 -0.039,630 0.034,631 -0.095,632 0.027,633 0.015,634 0.128,635 -0.006,636 0.091,637 -0.009,638 0.049,639 -0.055,640 -0.018,641 -0.138,642 -0.079,643 -0.076,644 -0.11,645 0.046,646 -0.007,647 -0.186,648 -0.15,649 0.016,650 -0.2,651 0.084,652 -0.149,653 -0.055,654 -0.238,655 0.049,656 -0.184,657 2.181,658 4.575,659 0.833,660 27.76,661 1.014,662 1.123,663 2.971,664 8.829,665 0.688,666 3.555,667 3.892,668 4.22,669 4.554,670 4.868,671 5.037,672 5.298,673 5.509,674 5.628,675 5.762,676 6.188,677 0.672,678 401.46,679 3.555,680 5.106,681 5.979,682 6.876,683 7.774,684 8.684,685 9.594,686 10.512,687 11.43,688 12.353,689 10.2,695 1,697 1,699 3,701 1,703 3,704 8,705 3,709 4,711 21,726 1,731 49,733 23,734 1,735 34,737 53,738 22,739 15,740 2,741 4,742 3,746 5,747 8,761 18,762 4,766 2,767 1,771 1,773 1,775 1,778 1,781 19,782 7,784 8,790 5,794 0.6,795 3,805 1,807 1,811 1,812 4,815 2,829 1,830 1,831 1,839 1,840 3,848 30,854 4,856 2,859 1,870 6.1,873 1,874 1,875 1,877 14.333,878 9,879 6.583,880 2.914,881 4.424,882 1.537,883 1.022,884 4.911,885 12.661,886 3.861,887 4.497,888 5.18,889 5.874,890 6.543,891 7.037,892 7.631,893 8.183,894 8.577,895 9.028,896 0.857,897 50,898 11.048,900 4.755,901 7.744,902 20.997,904 17.32,905 2.244,906 67.333,908 1,909 1,910 223.651,911 140.729,912 54.522,914 47.145,917 140.729,918 270.796,919 54.522,921 29.163,922 75.81,923 105.341,924 37.237,925 6.616,926 211.88,928 223.651,929 195.251,930 47.145,933 225.979,934 36.145,935 11,937 25.752,938 107.461,939 59.71,941 223.651,942 101.667,943 140.729,946 223.651,947 40.105,948 89.146,950 113.146,951 223.651,952 101.667,953 140.729,955 0.576,956 0.342,957 0.193,958 0.113,959 25,960 10,961 0.094,962 5,963 2,964 1.16,965 4.094,966 288.479,967 0.16,968 25,969 143.207,974 18.737,975 7.863,976 3.572,977 2.649,978 100.503,979 14.792,980 14.122,984 2.51,987 466.047,988 46.5,989 3.434,993 11.575,995 1.13,997 -0.514,999 49.676,1000 55.026,1001 0.291,1002 0.674,1003 0.849,1004 0.92,1005 0.92,1006 0.92,1007 5.095,1008 1.551,1009 5.958,1010 5.277,1011 4.575,1012 5.185,1013 2.202,1014 6.799,1015 4.473,1016 6.308,1017 1.388,1018 7.526,1019 4.034,1020 4.111,1021 5.037,1022 0.325,1023 7.735,1024 3.965,1025 7.624,1026 1.311,1027 9.196,1028 3.573,1029 6.184,1030 7.482,1031 2.906,1032 10.893,1033 5.983,1034 8.982,1035 1.099,1036 10.929,1037 2.914,1038 6.581,1039 8.237,1040 0.268,1041 12.702,1042 6.332,1043 10.378,1044 1,1045 12.703,1046 2.568,1047 8.098,1048 10.138,1049 3.832,1050 15.373,1051 7.8,1052 11.801,1053 1,1054 14.507,1055 2.544,1056 8.904,1057 11.329,1058 0.188,1059 17.547,1060 8.557,1061 13.248,1062 0.464,1063 16.332,1064 2.136,1065 10.199,1066 13.018,1067 4.831,1068 20.059,1069 9.803,1070 3.319,1071 0.382,1072 18.174,1073 1.24,1074 11.202,1075 14.418,1076 0.125,1077 22.39,1078 10.756,1079 2.871,1080 11.762,1081 20.029,1082 0.557,1083 12.411,1084 16.027,1085 5.852,1086 24.853,1087 11.917,1088 2.757,1089 9.529,1090 21.895,1091 4.866,1092 13.507,1093 17.524,1094 0.082,1095 27.252,1096 12.963,1097 2.485,1098 9.042,1099 23.77,1100 3.925,1101 14.688,1102 19.106,1103 6.88,1104 29.704,1105 14.095,1106 2.163,1107 7.263,1108 25.652,1109 3.632,1110 15.828,1111 20.648,1112 0.054,1113 32.134,1114 15.185,1115 2,1116 6.655,1117 27.54,1118 3.123,1119 17.004,1120 22.223,1121 7.91,1122 34.587,1123 16.312,1124 1.819,1125 5.44,1126 29.434,1127 2.876,1128 18.167,1129 23.785,1130 0.035,1131 37.032,1132 17.424,1133 10567,1134 17976,1135 23.463,1136 33.722,1137 51.842,1138 52.812,1139 52.36,1140 51.243,1141 51.217,1142 68.987,1143 6.669,1144 149.068,1145 48.63,1146 5.779,1147 5.596,1148 6.739,1149 5.374,1150 5.319,1151 7.866,1152 3.349,1153 19.31,1154 5.155,1155 10.553,1156 1.525,1157 1.553,1158 1.54,1159 1.507,1160 1.506,1161 2.029,1162 0.196,1163 4.384,1164 1.43,1165 4.21,1166 4.255,1167 4.193,1168 4.065,1169 7.434,1170 4.09,1171 3.907,1172 3.928,1173 3.86,1174 3.833,1175 5.175,1176 3.835,1177 3.769,1178 3.823,1179 3.674,1180 3.568,1181 4.85,1182 3.586,1183 3.598,1184 3.628,1185 3.529,1186 3.426,1187 4.721,1188 3.44,1189 3.521,1190 3.566,1191 3.441,1192 3.36,1193 4.634,1194 3.372,1195 3.136,1196 3.206,1197 3.064,1198 3.015,1199 4.592,1200 3.024,1201 3.111,1202 3.181,1203 2.879,1204 2.941,1205 4.152,1206 2.91,1207 2.959,1208 3.014,1209 2.866,1210 2.758,1211 4.072,1212 2.768,1213 0.141,1214 0.106,1215 0.204,1216 0.126,1217 0.098,1218 4.779,1219 0.143,1220 3.596,1221 0.049,1222 6.937,1223 0.346,1224 4.27,1225 0.093,1226 3.319,1227 4.866,1228 1.674,1229 11.762,1230 3.155,1231 1.947,1232 1.914,1233 2.02,1234 2.122,1235 1.218,1236 2.086,1237 1.859,1238 1.827,1239 1.947,1240 1.98,1241 1.092,1242 1.972,1243 1.782,1244 1.739,1245 1.93,1246 1.952,1247 1.022,1248 1.948,1249 1.581,1250 1.531,1251 1.731,1252 1.81,1253 0.849,1254 1.788,1255 1.521,1256 1.488,1257 1.706,1258 1.7,1259 0.825,1260 1.702,1261 1.153,1262 1.078,1263 1.513,1264 1.376,1265 0.5,1266 1.429,1267 1.121,1268 1.064,1269 1.283,1270 1.265,1271 0.352,1272 1.276,1273 0.931,1274 0.888,1275 1.137,1276 1.161,1277 0.239,1278 1.134,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.844,1285 8.734,1286 7.066,1287 10.419,1295 2.796,1297 10.768,1300 2.199,1305 32.939,1306 79.938,1307 185.416,1308 233.469,1309 253.121,1310 253.121,1311 253.121,1312 40.055,1313 8.237,1314 81.85,1315 81.85,1316 29,1317 12.861,1318 4.585,1319 3.755,1320 41.273,1321 110,1322 132,1323 0.184,1324 198.594,1325 336.09,1326 476.329,1327 42816,1329 20.501,1330 0.683,1331 0.54,1332 20.501,1333 16.192,1334 14.725,1335 0.433,1336 0.284,1337 9.47,1338 14.014,1339 9.335,1340 7.662,1341 14.725,1342 9.647,1343 13.107,1344 0.273,1345 0.143,1346 13.107,1347 6.861,1348 11.52,1349 0.172,1350 0.074,1351 11.52,1352 4.97,1353 9.946,1354 0.106,1355 0.038,1356 9.946,1357 3.548,1358 8.678,1359 0.067,1360 0.019,1361 8.678,1362 2.491,1363 0.281,1364 93.125,1365 0.206,1366 27.762,1367 0.531,1368 164,1369 515.432,1370 184.512,1371 489.683,1372 682.98,1373 462,1374 197,1375 520.515,1376 218.795,1377 518.13,1378 769.15,1379 490,1380 7.321}
{0 CHEMBL1934306,1 1.655,2 11.182,3 4.26,4 18.145,5 118.087,6 8.49,7 0.684,8 4.113,9 4.204,10 3.806,11 3.639,12 5.278,13 3.668,14 4.64,15 4.771,16 4.183,17 4.014,18 5.82,19 4.04,20 4.833,21 5.011,22 4.209,23 4.095,24 5.968,25 4.091,26 4.8,27 4.987,28 4.183,29 4.069,30 5.947,31 4.071,32 4.799,33 4.977,34 4.189,35 4.102,36 5.943,37 4.098,38 4.836,39 5.001,40 4.221,41 4.201,42 5.918,43 4.18,44 4.911,45 5.086,46 4.165,47 4.23,48 6.01,49 4.175,50 4.919,51 5.13,52 4.033,53 4.141,54 5.935,55 4.057,56 0.124,57 0.796,58 8.027,59 4.407,60 8.121,61 4.795,62 0.481,63 1.304,64 16.893,65 7.053,66 31.979,67 7.671,68 0.791,69 1.542,70 24.185,71 8.723,72 46.786,73 10.373,74 0.507,75 1.535,76 22.715,77 8.158,78 42.001,79 9.814,80 0.676,81 1.52,82 22.775,83 8.126,84 51.91,85 9.537,86 0.514,87 1.589,88 21.567,89 8.819,90 30.834,91 10.374,92 0.594,93 1.639,94 24.167,95 10.316,96 48.627,97 12.517,98 0.573,99 1.562,100 27.708,101 11.435,102 43.379,103 14.932,104 2,105 54,106 0.269,107 0.619,108 0.775,109 0.864,110 0.864,111 0.864,112 3.533,113 0.836,114 -4.09,115 -4.03,116 -3.82,119 46.2,125 4,142 9,143 1,144 1,145 1,146 1,147 1,149 1,151 1,152 3,158 1,166 1,172 6,174 3,175 10,183 4,186 6,187 15,195 3,198 2,199 11,207 1,211 5,212 11,220 4,223 2,224 9,232 9,236 4,237 5,245 7,249 4,250 8,258 4,262 3,263 7,271 1,275 1943,276 23.085,277 23.085,278 23.085,279 23.085,280 23.085,281 20.081,282 15.876,283 13.742,284 23.657,285 18.846,286 18.846,287 18.846,288 18.846,289 18.846,290 14.216,291 20.448,292 6.594,293 19.766,294 4.045,295 1.896,296 0.933,297 0.385,298 0.385,299 0.385,300 4.256,304 1,305 1,306 838,307 3,310 140.014,311 316.054,314 212.525,318 1.691,319 32.653,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 72.5,331 369,332 4.779,333 3.684,334 6.937,335 4.27,336 3.319,337 4.866,338 1.674,339 11.762,340 3.155,341 4.269,342 3.38,343 6.307,344 3.867,345 2.897,346 3.928,347 0.86,348 9.53,349 2.81,350 4.162,351 2.973,352 6.141,353 3.774,354 2.805,355 3.718,356 0.8,357 9.069,358 2.734,359 4.034,360 2.88,361 6.04,362 3.678,363 2.721,364 3.604,366 8.643,367 2.578,368 3.661,369 2.523,370 5.457,371 3.26,372 2.315,373 3.053,375 6.884,376 2.176,377 3.47,378 2.34,379 5.292,380 3.056,381 2.112,382 2.835,384 6.573,385 1.987,386 3.205,387 2.19,388 4.938,389 2.766,390 1.823,391 2.443,393 5.392,394 1.721,395 3.168,396 2.045,397 4.422,398 2.683,399 1.695,400 2.37,402 4.301,403 1.66,404 2.941,405 1.737,406 4.215,407 2.499,408 1.543,409 2.092,411 3.792,412 1.47,413 2.838,414 1.536,415 4.125,416 2.34,417 1.375,418 1.986,420 3.533,421 1.322,422 2.649,423 1.399,424 3.613,425 2.24,426 1.31,427 1.697,428 2.914,429 1.207,430 2.589,431 1.256,432 3.56,433 2.083,434 1.1,435 1.632,436 2.568,437 1.079,438 2.281,439 1.118,440 3.486,441 1.952,442 1,443 1.243,445 2.547,446 0.946,447 2.274,448 1.084,449 3.271,450 1.919,451 1,452 1.108,454 2.136,455 0.913,456 2.118,457 1.04,458 3.247,459 1.763,460 0.764,461 1,463 1.823,464 0.754,465 15.333,466 0.465,467 0.671,468 0.02,469 47.75,470 1.447,471 24.5,472 0.742,473 23.25,474 0.705,475 24.462,476 0.741,477 33.867,478 0.651,479 37.643,480 1.141,481 9.613,482 0.291,483 6.646,484 0.201,485 0.022,487 0.346,493 0.796,494 1.318,495 0.631,496 1.104,497 0.611,498 0.886,499 1.082,500 1.186,501 0.85,502 0.973,503 0.685,504 0.877,505 0.964,506 1.028,507 0.922,508 0.865,509 0.732,510 0.875,511 1.015,512 1.139,513 0.911,514 0.946,515 1.048,516 0.891,517 1.034,518 0.911,519 0.962,520 0.777,521 1.216,522 0.822,523 0.886,524 1.06,525 1.026,526 0.994,527 0.807,528 1.014,529 0.768,530 1.037,531 1.131,532 1.161,533 0.748,534 1.211,535 0.605,536 1.042,537 1.001,538 1.221,539 0.576,540 1.214,541 5,542 0.211,543 3.333,544 1.979,545 1.645,546 1.24,547 0.706,548 0.361,549 0.251,550 0.21,551 15997,552 45301,553 2.242,554 36.5,556 17,557 1,558 1,564 1.757,565 2.176,566 3.447,567 -0.721,569 1,573 86.064,574 1.655,575 3.805,576 4.767,577 5.316,578 5.316,579 5.316,580 2.865,581 4.658,582 5.014,583 3.636,584 1919.9,585 8.812,586 27899.3,588 1,590 1,591 296.423,592 1.096,593 5.007,594 0.132,595 0.008,596 0.062,597 0.037,598 0.031,599 0.023,600 0.013,601 0.007,602 0.006,603 0.006,604 0.323,605 0.33,606 0.88,607 0.306,608 172.788,609 -0.02,610 -0.222,611 0.083,612 -0.145,613 -0.031,614 -0.039,615 -0.055,616 -0.108,617 -0.004,618 -0.04,619 0.047,620 -0.018,621 0.061,622 0.016,623 0.035,624 0.075,625 0.097,626 0.05,627 -0.119,628 -0.061,629 0.026,630 -0.023,631 -0.019,632 0.03,633 -0.075,634 0.17,635 -0.035,636 0.149,637 -0.093,638 0.085,639 -0.099,640 0.016,641 -0.163,642 -0.048,643 -0.086,644 -0.097,645 0.013,646 -0.022,647 -0.23,648 -0.18,649 -0.013,650 -0.243,651 0.149,652 -0.116,653 -0.003,654 -0.196,655 0.078,656 -0.149,657 2.231,658 5.293,659 0.909,660 33.087,661 1.019,662 1.12,663 2.855,664 8.152,665 0.696,666 3.664,667 4.007,668 4.344,669 4.673,670 4.942,671 5.112,672 5.361,673 5.58,674 5.707,675 5.852,676 6.854,677 0.686,678 441.48,679 3.664,680 5.22,681 6.098,682 6.995,683 7.892,684 8.799,685 9.705,686 10.619,687 11.532,688 12.45,689 9.6,695 1,697 1,699 3,701 1,703 3,704 11,705 3,707 1,709 5,711 26,721 1,726 1,731 52,733 27,734 1,735 38,737 57,738 24,739 19,740 2,741 4,742 1,746 6,747 9,761 20,762 4,766 1,771 1,775 1,778 1,780 1,781 19,782 8,784 9,790 5,794 0.667,795 4,805 1,807 1,811 2,812 4,815 2,839 1,840 4,848 33,854 4,856 2,859 1,870 7.7,873 1,874 1,875 2,877 15.167,878 9.583,879 7.111,880 3.129,881 5.001,882 1.581,883 1.044,884 5.114,885 13.615,886 3.97,887 4.625,888 5.309,889 5.997,890 6.596,891 7.084,892 7.659,893 8.215,894 8.616,895 9.073,896 1,897 54,898 12.182,900 5.328,901 7.727,902 23.143,904 19.304,905 2.227,906 73.5,909 1,910 223.651,911 151.627,912 54.522,914 56.652,917 151.627,918 280.303,919 54.522,921 13.396,922 97.026,923 105.341,924 46.744,925 23.836,926 200.109,928 223.651,929 206.149,930 56.652,933 225.979,934 45.652,935 11,937 25.752,938 127.835,939 50.234,941 223.651,942 111.174,943 151.627,946 223.651,947 45.554,948 110.361,950 106.886,951 223.651,952 111.174,953 151.627,955 0.581,956 0.347,957 0.199,958 0.108,959 29,960 11,961 0.088,962 5,963 2,964 1.133,965 4.434,966 332.202,967 0.133,968 30,969 162.465,974 20.065,975 8.41,976 3.785,977 2.625,978 110.01,979 19.414,980 14.2,982 5.121,984 2.575,987 486.452,988 52,993 12.293,997 -0.565,999 53.003,1000 58.236,1001 0.29,1002 0.667,1003 0.836,1004 0.933,1005 0.933,1006 0.933,1007 5.207,1008 1.695,1009 6.075,1010 5.392,1011 4.691,1012 5.313,1013 2.202,1014 6.915,1015 4.602,1016 6.421,1017 1.543,1018 7.642,1019 4.301,1020 4.205,1021 5.121,1022 0.325,1023 7.84,1024 4.073,1025 7.738,1026 1.375,1027 9.311,1028 3.792,1029 6.301,1030 7.603,1031 2.906,1032 10.998,1033 6.124,1034 9.096,1035 1.31,1036 11.045,1037 3.533,1038 6.698,1039 8.333,1040 0.268,1041 12.796,1042 6.48,1043 10.492,1044 1.1,1045 12.819,1046 2.914,1047 8.215,1048 10.238,1049 3.832,1050 15.456,1051 7.953,1052 11.915,1053 1,1054 14.622,1055 2.568,1056 9.021,1057 11.409,1058 0.188,1059 17.615,1060 8.715,1061 13.359,1062 1,1063 16.446,1064 2.547,1065 10.31,1066 13.091,1067 4.831,1068 20.117,1069 9.959,1070 3.319,1071 0.764,1072 18.285,1073 2.136,1074 11.308,1075 14.476,1076 0.125,1077 22.435,1078 10.91,1079 2.897,1080 11.762,1081 20.135,1082 1.823,1083 12.51,1084 16.076,1085 5.852,1086 24.89,1087 12.065,1088 2.805,1089 9.53,1090 21.996,1091 4.866,1092 13.598,1093 17.563,1094 0.082,1095 27.28,1096 13.104,1097 2.721,1098 9.069,1099 23.865,1100 3.928,1101 14.772,1102 19.138,1103 6.88,1104 29.726,1105 14.229,1106 2.315,1107 8.643,1108 25.741,1109 3.718,1110 15.905,1111 20.672,1112 0.054,1113 32.151,1114 15.31,1115 2.112,1116 6.884,1117 27.623,1118 3.604,1119 17.074,1120 22.243,1121 7.91,1122 34.6,1123 16.428,1124 1.823,1125 6.573,1126 29.51,1127 3.053,1128 18.23,1129 23.8,1130 0.035,1131 37.042,1132 17.531,1133 14468,1134 24544,1135 26.641,1136 36.176,1137 58.134,1138 59.242,1139 57.892,1140 57.793,1141 57.723,1142 78.311,1143 6.669,1144 168.157,1145 55.136,1146 5.779,1147 5.684,1148 6.739,1149 5.374,1150 5.319,1151 7.866,1152 3.349,1153 19.31,1154 5.155,1155 7.599,1156 1.53,1157 1.559,1158 1.523,1159 1.521,1160 1.519,1161 2.061,1162 0.175,1163 4.425,1164 1.451,1165 4.211,1166 4.256,1167 4.193,1168 4.065,1169 7.433,1170 4.091,1171 3.941,1172 3.949,1173 3.9,1174 3.838,1175 5.177,1176 3.844,1177 3.855,1178 3.869,1179 3.805,1180 3.718,1181 5.053,1182 3.74,1183 3.768,1184 3.822,1185 3.671,1186 3.568,1187 4.841,1188 3.585,1189 3.542,1190 3.595,1191 3.47,1192 3.368,1193 4.695,1194 3.383,1195 3.216,1196 3.215,1197 3.176,1198 3.031,1199 4.601,1200 3.052,1201 3.111,1202 3.206,1203 3.032,1204 2.941,1205 4.17,1206 2.942,1207 3.104,1208 3.135,1209 2.878,1210 2.903,1211 4.073,1212 2.91,1213 0.126,1214 0.097,1215 0.183,1216 0.112,1217 0.087,1218 4.779,1219 0.128,1220 3.684,1221 0.044,1222 6.937,1223 0.31,1224 4.27,1225 0.083,1226 3.319,1227 4.866,1228 1.674,1229 11.762,1230 3.155,1231 1.946,1232 1.914,1233 2.019,1234 2.122,1235 1.218,1236 2.086,1237 1.859,1238 1.827,1239 1.947,1240 1.979,1241 1.092,1242 1.972,1243 1.781,1244 1.739,1245 1.93,1246 1.951,1247 1.022,1248 1.947,1249 1.58,1250 1.531,1251 1.715,1252 1.808,1253 0.849,1254 1.786,1255 1.518,1256 1.498,1257 1.665,1258 1.676,1259 0.825,1260 1.647,1261 1.33,1262 1.328,1263 1.513,1264 1.585,1265 0.714,1266 1.559,1267 1.153,1268 1.077,1269 1.432,1270 1.376,1271 0.356,1272 1.429,1273 1.12,1274 1.064,1275 1.282,1276 1.263,1277 0.331,1278 1.275,1279 4.344,1281 5.68,1282 3.045,1283 7.216,1284 5.352,1285 8.843,1286 7.445,1287 10.52,1295 2.758,1297 11.008,1300 2.198,1305 35.654,1306 86.064,1307 197.84,1308 247.894,1309 276.423,1310 276.423,1311 276.423,1312 43.91,1313 8.614,1314 94.99,1315 94.99,1316 34,1317 12.961,1318 4.807,1319 3.907,1320 43.025,1321 133,1322 142,1323 0.154,1324 211.454,1325 353.58,1326 507.708,1327 71959,1329 22.2,1330 0.673,1331 0.532,1332 22.2,1333 17.548,1334 16.259,1335 0.428,1336 0.279,1337 10.389,1338 15.424,1339 10.268,1340 8.4,1341 16.259,1342 10.595,1343 14.615,1344 0.271,1345 0.141,1346 14.615,1347 7.602,1348 12.997,1349 0.171,1350 0.073,1351 12.997,1352 5.517,1353 11.455,1354 0.108,1355 0.037,1356 11.455,1357 3.942,1358 9.392,1359 0.068,1360 0.019,1361 9.392,1362 2.631,1363 0.239,1364 103.24,1365 0.194,1366 30.307,1367 0.433,1368 184,1369 593.168,1370 208.055,1371 558.634,1372 780.68,1373 528,1374 222,1375 596.878,1376 248.334,1377 592.273,1378 880.68,1379 560,1380 6.372}
{0 CHEMBL1934307,1 1.629,2 11.912,3 3.714,4 13.793,5 123.54,6 8.38,7 0.692,8 4.139,9 4.239,10 3.822,11 3.683,12 5.301,13 3.702,14 4.662,15 4.803,16 4.191,17 4.059,18 5.831,19 4.072,20 4.871,21 5.054,22 4.246,23 4.165,24 5.973,25 4.155,26 4.864,27 5.055,28 4.204,29 4.122,30 6.003,31 4.114,32 4.84,33 5.023,34 4.227,35 4.14,36 6.016,37 4.131,38 4.85,39 5.02,40 4.23,41 4.244,42 5.92,43 4.21,44 4.947,45 5.13,46 4.193,47 4.281,48 6.036,49 4.217,50 4.964,51 5.18,52 4.066,53 4.195,54 5.964,55 4.108,56 0.094,57 0.845,58 8.507,59 4.463,60 8.041,61 5.08,62 0.427,63 1.376,64 17.557,65 7.112,66 31.975,67 8.105,68 0.539,69 1.642,70 24.755,71 9.152,72 35.785,73 11.075,74 0.501,75 1.622,76 24.973,77 8.855,78 47.993,79 10.69,80 0.726,81 1.582,82 24.436,83 8.502,84 60.33,85 10.243,86 0.417,87 1.645,88 21.913,89 9.089,90 27.826,91 11.126,92 0.531,93 1.726,94 25.619,95 10.79,96 48.678,97 13.523,98 0.438,99 1.672,100 29.045,101 11.858,102 41.259,103 15.66,104 2,105 55,106 0.263,107 0.591,108 0.749,109 0.836,110 0.845,111 0.845,112 3.561,113 0.843,114 -4.22,115 -4.16,116 -3.93,119 46.3,125 4,142 9,143 2,144 1,145 3,146 1,147 1,149 1,152 2,158 1,166 1,172 7,174 3,175 12,183 5,186 4,187 18,195 3,198 2,199 9,207 3,211 7,212 9,220 8,223 2,224 7,232 10,236 4,237 8,245 6,249 2,250 13,258 3,262 2,263 8,271 1,275 2122,276 23.792,277 23.792,278 23.792,279 23.792,280 23.792,281 20.658,282 15.876,283 14.242,284 24.437,285 19.346,286 19.346,287 19.346,288 19.346,289 19.346,290 14.55,291 20.448,292 6.844,293 20.366,294 4.126,295 2.094,296 1.112,297 0.57,298 0.519,299 0.519,300 4.286,304 1,305 1,306 918,307 3,310 56.681,311 433.546,314 221.459,318 1.756,319 32.038,322 1,323 0.5,324 1,325 0.4,327 1,328 1,329 0.7,330 74,331 405,332 4.779,333 3.683,334 6.937,335 4.27,336 3.319,337 4.866,338 1.674,339 11.762,340 3.155,341 4.268,342 3.38,343 6.307,344 3.864,345 2.895,346 3.928,347 0.86,348 9.53,349 2.803,350 4.152,351 2.973,352 6.141,353 3.766,354 2.801,355 3.699,356 0.8,357 9.069,358 2.724,359 4.032,360 2.88,361 6.036,362 3.676,363 2.718,364 3.597,366 8.634,367 2.577,368 3.66,369 2.522,370 5.457,371 3.256,372 2.312,373 3.052,375 6.881,376 2.171,377 3.47,378 2.339,379 5.291,380 3.055,381 2.111,382 2.835,384 6.572,385 1.985,386 3.237,387 2.174,388 4.938,389 2.766,390 1.824,391 2.51,393 5.392,394 1.718,395 3.183,396 2.045,397 4.419,398 2.7,399 1.741,400 2.395,402 4.293,403 1.656,404 2.948,405 1.737,406 4.211,407 2.502,408 1.55,409 2.103,411 3.807,412 1.471,413 2.852,414 1.536,415 4.12,416 2.354,417 1.401,418 2.01,420 3.548,421 1.333,422 2.649,423 1.399,424 3.613,425 2.24,426 1.311,427 1.698,428 2.914,429 1.207,430 2.594,431 1.323,432 3.561,433 2.085,434 1.105,435 1.636,436 2.596,437 1.081,438 2.534,439 1.256,440 3.498,441 1.984,442 1,443 1.5,445 2.566,446 0.983,447 2.5,448 1.117,449 3.421,450 1.975,451 1,452 1.474,454 2.382,455 0.962,456 2.28,457 1.084,458 3.267,459 1.952,460 1,461 1.243,463 2.136,464 0.946,465 15.9,466 0.468,467 0.671,468 0.02,469 50.25,470 1.478,471 26.5,472 0.779,473 23.75,474 0.699,475 25.017,476 0.736,477 34.5,478 0.639,479 39.747,480 1.169,481 10.047,482 0.296,483 6.712,484 0.197,485 0.021,487 0.333,493 0.769,494 1.321,495 0.643,496 1.082,497 0.601,498 0.885,499 1.072,500 1.158,501 0.866,502 0.944,503 0.683,504 0.873,505 1.098,506 1.05,507 0.925,508 0.924,509 0.795,510 0.893,511 1.209,512 1.104,513 0.976,514 0.958,515 1.219,516 0.916,517 1.1,518 0.842,519 0.947,520 0.742,521 1.282,522 0.795,523 0.825,524 1.061,525 1.017,526 1.028,527 0.781,528 1.039,529 0.754,530 1.025,531 1.11,532 1.154,533 0.728,534 1.191,535 0.677,536 1.09,537 1.017,538 1.243,539 0.609,540 1.209,541 5,542 0.226,543 3.333,544 2.139,545 1.586,546 1.361,547 0.677,548 0.385,549 0.277,550 0.205,551 17425,552 48265,553 2.234,554 37,556 17,558 3,564 1.764,565 2.17,566 3.517,567 -0.729,569 1,573 87.964,574 1.629,575 3.661,576 4.643,577 5.185,578 5.236,579 5.236,580 2.903,581 4.793,582 5.057,583 3.698,584 2074.31,585 8.895,586 30909.4,588 1,591 310.764,592 1.083,593 5.051,594 0.128,595 0.008,596 0.061,597 0.038,598 0.029,599 0.024,600 0.012,601 0.007,602 0.006,603 0.006,604 0.319,605 0.33,606 0.88,607 0.299,608 180.178,609 -0.002,610 -0.224,611 0.081,612 -0.13,613 -0.026,614 -0.035,615 -0.033,616 -0.076,617 -0.015,618 -0.015,619 0.046,620 -0.012,621 -0.069,622 -0.014,623 0.021,624 0.022,625 0.015,626 0.034,627 -0.151,628 -0.065,629 -0.012,630 -0.021,631 -0.062,632 0.009,633 0.022,634 0.213,635 0.006,636 0.19,637 -0.012,638 0.111,639 -0.062,641 -0.156,642 -0.073,643 -0.074,644 -0.114,645 0.042,646 -0.027,647 -0.2,648 -0.165,649 0.005,650 -0.217,651 0.089,652 -0.168,653 -0.019,654 -0.216,655 0.046,656 -0.153,657 2.118,658 5.498,659 0.912,660 35.318,661 1.014,662 1.121,663 2.993,664 8.957,665 0.699,666 3.689,667 4.025,668 4.357,669 4.682,670 4.984,671 5.124,672 5.38,673 5.587,674 5.72,675 5.864,676 7.1,677 0.684,678 452.51,679 3.689,680 5.242,681 6.116,682 7.009,683 7.904,684 8.808,685 9.713,686 10.625,687 11.537,688 12.453,689 11.1,695 1,697 1,699 4,701 1,703 3,704 12,705 4,709 5,711 27,721 1,726 1,731 54,733 28,734 1,735 39,737 59,738 25,739 20,740 2,741 4,742 1,746 6,747 9,761 21,762 4,766 1,771 1,775 1,778 1,781 20,782 8,784 9,790 6,794 0.667,795 3,805 2,807 1,811 1,812 5,815 2,839 1,840 4,848 34,854 4,856 2,859 1,870 5.6,873 1,874 1,875 1,877 15.667,878 9.95,879 7.361,880 3.248,881 5.263,882 1.605,883 1.042,884 5.38,885 13.964,886 3.998,887 4.647,888 5.325,889 6.009,890 6.656,891 7.097,892 7.68,893 8.219,894 8.624,895 9.081,896 0.875,897 57,898 12.548,900 5.459,901 7.706,902 23.893,904 19.876,905 2.206,906 75,909 1,910 235.422,911 155.719,912 71.308,914 47.145,917 155.719,918 282.567,919 71.308,921 13.396,922 85.286,923 145.669,924 58.517,925 6.616,926 200.109,928 235.422,929 227.027,930 47.145,933 237.75,934 36.145,935 11,937 43.847,938 113.833,939 67.02,941 235.422,942 118.453,943 155.719,946 235.422,947 43.29,948 116.717,950 114.164,951 235.422,952 118.453,953 155.719,955 0.578,956 0.344,957 0.197,958 0.113,959 29,960 11,961 0.085,962 5,963 2,964 1.129,965 4.513,966 343.866,967 0.129,968 31,969 164.974,974 20.729,975 8.825,976 4.018,977 2.638,978 117.289,979 21.227,980 18.18,984 2.929,987 509.593,988 53.5,993 12.498,997 -0.451,999 54.778,1000 60.524,1001 0.283,1002 0.636,1003 0.807,1004 0.901,1005 0.91,1006 0.91,1007 5.23,1008 1.741,1009 6.089,1010 5.392,1011 4.71,1012 5.335,1013 2.202,1014 6.923,1015 4.614,1016 6.441,1017 1.55,1018 7.651,1019 4.293,1020 4.205,1021 5.121,1022 0.325,1023 7.84,1024 4.073,1025 7.754,1026 1.401,1027 9.318,1028 3.807,1029 6.312,1030 7.618,1031 2.906,1032 11,1033 6.127,1034 9.109,1035 1.311,1036 11.049,1037 3.548,1038 6.686,1039 8.315,1040 0.268,1041 12.794,1042 6.465,1043 10.5,1044 1.105,1045 12.821,1046 2.914,1047 8.221,1048 10.248,1049 3.832,1050 15.456,1051 7.951,1052 11.92,1053 1,1054 14.623,1055 2.596,1056 9.011,1057 11.394,1058 0.188,1059 17.614,1060 8.7,1061 13.361,1062 1,1063 16.446,1064 2.566,1065 10.311,1066 13.095,1067 4.831,1068 20.116,1069 9.953,1070 3.319,1071 1,1072 18.284,1073 2.382,1074 11.3,1075 14.466,1076 0.125,1077 22.434,1078 10.896,1079 2.895,1080 11.762,1081 20.135,1082 2.136,1083 12.508,1084 16.077,1085 5.852,1086 24.889,1087 12.057,1088 2.801,1089 9.53,1090 21.995,1091 4.866,1092 13.593,1093 17.557,1094 0.082,1095 27.28,1096 13.092,1097 2.718,1098 9.069,1099 23.864,1100 3.928,1101 14.769,1102 19.137,1103 6.88,1104 29.726,1105 14.219,1106 2.312,1107 8.634,1108 25.74,1109 3.699,1110 15.9,1111 20.669,1112 0.054,1113 32.151,1114 15.299,1115 2.111,1116 6.881,1117 27.622,1118 3.597,1119 17.07,1120 22.242,1121 7.91,1122 34.599,1123 16.418,1124 1.824,1125 6.572,1126 29.51,1127 3.052,1128 18.226,1129 23.798,1130 0.035,1131 37.042,1132 17.52,1133 15804,1134 26482,1135 27.334,1136 37.727,1137 59.417,1138 60.741,1139 59.529,1140 59.124,1141 59.101,1142 80.399,1143 6.669,1144 170.909,1145 56.247,1146 5.779,1147 5.683,1148 6.739,1149 5.374,1150 5.319,1151 7.866,1152 3.349,1153 19.31,1154 5.155,1155 7.704,1156 1.524,1157 1.557,1158 1.526,1159 1.516,1160 1.515,1161 2.062,1162 0.171,1163 4.382,1164 1.442,1165 4.211,1166 4.256,1167 4.193,1168 4.066,1169 7.433,1170 4.091,1171 3.932,1172 3.953,1173 3.888,1174 3.843,1175 5.176,1176 3.849,1177 3.845,1178 3.879,1179 3.791,1180 3.754,1181 4.895,1182 3.76,1183 3.768,1184 3.822,1185 3.671,1186 3.568,1187 4.835,1188 3.585,1189 3.542,1190 3.595,1191 3.47,1192 3.368,1193 4.696,1194 3.383,1195 3.242,1196 3.241,1197 3.209,1198 3.032,1199 4.601,1200 3.058,1201 3.112,1202 3.206,1203 3.041,1204 2.941,1205 4.185,1206 2.958,1207 3.111,1208 3.154,1209 2.878,1210 2.915,1211 4.074,1212 2.91,1213 0.123,1214 0.094,1215 0.178,1216 0.109,1217 0.085,1218 4.779,1219 0.125,1220 3.683,1221 0.043,1222 6.937,1223 0.302,1224 4.27,1225 0.081,1226 3.319,1227 4.866,1228 1.674,1229 11.762,1230 3.155,1231 1.948,1232 1.917,1233 2.021,1234 2.122,1235 1.218,1236 2.086,1237 1.862,1238 1.831,1239 1.95,1240 1.99,1241 1.093,1242 1.979,1243 1.831,1244 1.8,1245 1.939,1246 1.976,1247 1.022,1248 1.967,1249 1.774,1250 1.732,1251 1.92,1252 1.923,1253 0.957,1254 1.926,1255 1.578,1256 1.526,1257 1.714,1258 1.8,1259 0.848,1260 1.781,1261 1.153,1262 1.097,1263 1.513,1264 1.376,1265 0.825,1266 1.429,1267 1.129,1268 1.064,1269 1.283,1270 1.365,1271 0.353,1272 1.3,1273 1.037,1274 1.022,1275 1.181,1276 1.254,1277 0.239,1278 1.256,1279 4.369,1281 5.7,1282 2.398,1283 7.239,1284 4.844,1285 8.869,1286 7.066,1287 10.547,1295 2.768,1297 11.126,1300 2.205,1305 36.96,1306 87.964,1307 197.705,1308 250.725,1309 280.009,1310 282.764,1311 282.764,1312 45.952,1313 8.701,1314 94.74,1315 94.74,1316 35,1317 12.965,1318 4.858,1319 3.954,1320 44.952,1321 142,1322 164,1323 0.15,1324 220.917,1325 370.45,1326 530.797,1327 81427,1329 22.907,1330 0.674,1331 0.534,1332 22.907,1333 18.165,1334 16.759,1335 0.43,1336 0.281,1337 10.766,1338 15.977,1339 10.622,1340 8.707,1341 16.759,1342 10.96,1343 14.969,1344 0.272,1345 0.143,1346 14.969,1347 7.861,1348 13.247,1349 0.172,1350 0.074,1351 13.247,1352 5.711,1353 11.632,1354 0.109,1355 0.038,1356 11.632,1357 4.044,1358 10.004,1359 0.069,1360 0.019,1361 10.004,1362 2.793,1363 0.234,1364 105.832,1365 0.191,1366 31.133,1367 0.42,1368 188,1369 583.077,1370 209.9,1371 556.715,1372 778.46,1373 526,1374 226,1375 592.627,1376 249.791,1377 592.478,1378 878.07,1379 560,1380 6.375}
{0 CHEMBL1940137,1 1.756,2 8.76,3 3.8,4 14.437,5 97.515,6 8.728,7 0.607,8 3.865,9 3.989,10 3.574,11 3.341,12 4.995,13 3.362,14 4.389,15 4.564,16 3.936,17 3.704,18 5.535,19 3.704,20 4.559,21 4.777,22 3.885,23 3.765,24 5.588,25 3.724,26 4.486,27 4.72,28 3.868,29 3.675,30 5.555,31 3.644,32 4.447,33 4.672,34 3.836,35 3.656,36 5.555,37 3.649,38 4.403,39 4.593,40 3.909,41 3.66,42 5.526,43 3.675,44 4.511,45 4.732,46 3.821,47 3.759,48 5.544,49 3.718,50 4.532,51 4.742,52 3.784,53 3.815,54 5.527,55 3.713,56 0.111,57 0.687,58 6.479,59 3.031,60 6.033,61 3.775,62 0.447,63 1.038,64 14.332,65 5.151,66 24.717,67 6.352,68 0.52,69 1.112,70 22.128,71 6.185,72 31.741,73 8.281,74 0.466,75 1.069,76 19.997,77 5.564,78 30.387,79 7.895,80 0.532,81 1.05,82 19.364,83 4.602,84 36.327,85 6.428,86 0.378,87 1.064,88 14.737,89 3.893,90 24.09,91 5.328,92 0.555,93 1.09,94 18.09,95 5.014,96 30.136,97 6.808,98 0.423,99 1.034,100 19.916,101 7.33,102 29.297,103 9.93,104 2,105 38,106 0.307,107 0.644,108 0.782,109 0.852,110 0.852,111 0.852,112 3.268,113 0.886,114 -4.77,115 -4.68,116 -4.4,119 39,125 4,142 5,144 2,145 1,150 3,151 1,166 1,172 2,174 7,175 2,178 2,180 2,183 5,186 3,192 1,195 2,198 3,199 6,202 3,204 2,207 1,211 4,212 2,215 1,224 12,229 1,236 2,237 5,240 1,249 1,250 7,258 2,263 5,271 1,275 902,276 17.309,277 17.309,278 17.309,279 17.309,280 17.309,281 15.303,282 27.867,283 10.519,284 18.055,285 13.909,286 13.909,287 13.909,288 13.909,289 13.909,290 10.912,291 46.769,292 5.092,293 15.187,294 3.601,295 1.677,296 0.887,297 0.488,298 0.488,299 0.488,300 3.969,301 1,303 1,304 1,305 1,306 481,307 2.121,310 66.048,311 240.086,318 1.248,319 20.689,321 1,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 54.833,331 219,332 4.37,333 3.21,334 6.312,335 3.938,336 3.029,337 4.033,338 0.86,339 9.704,340 2.753,341 4.059,342 2.999,343 6.018,344 3.623,345 2.692,346 3.657,347 0.8,348 8.635,349 2.514,350 3.948,351 2.912,352 5.617,353 3.608,354 2.68,355 3.436,356 0.4,357 7.786,358 2.466,359 3.595,360 2.626,361 5.201,362 3.203,363 2.3,364 2.846,366 6.539,367 2.067,368 3.274,369 2.312,370 4.71,371 2.833,372 1.931,373 2.535,375 5.192,376 1.699,377 3.082,378 2.072,379 4.449,380 2.589,381 1.695,382 2.318,384 4.464,385 1.507,386 2.882,387 1.723,388 4.29,389 2.567,390 1.643,391 1.936,393 4.069,394 1.489,395 2.658,396 1.403,397 3.495,398 2.165,399 1.186,400 1.732,402 2.631,403 1.139,404 2.313,405 1.256,406 3.48,407 1.955,408 1.081,409 1.247,411 2.581,412 0.946,413 2.188,414 1.241,415 3.274,416 1.952,417 1,418 1.133,420 2.136,421 0.94,422 2.118,423 0.821,424 3.247,425 1.749,426 0.802,427 1,428 1.961,429 0.757,430 2,431 0.618,432 3,433 1.565,434 0.618,435 0.927,436 1.372,437 0.584,438 1.295,439 0.221,440 2.946,441 0.931,447 0.92,448 0.146,449 2.563,450 0.43,451 -0.412,452 -0.517,454 -0.937,455 -0.258,456 0.822,457 -0.328,458 2.381,459 0.393,460 -0.492,461 -0.569,463 -1.27,464 -0.447,465 11.848,466 0.474,467 0.482,468 0.019,469 35.25,470 1.41,471 17,472 0.68,473 18.25,474 0.73,475 17.539,476 0.702,477 26.552,478 0.648,479 24.111,480 0.964,481 7.025,482 0.281,483 5.251,484 0.21,485 0.06,487 0.279,493 0.851,494 1.607,495 0.571,496 1.11,497 0.728,498 0.922,499 1.051,500 0.925,501 0.743,502 0.845,503 0.784,504 0.873,505 1.187,506 1.14,507 1.012,508 0.94,509 1.074,510 0.953,511 0.771,512 1.067,513 0.802,514 0.926,515 0.916,516 0.901,517 1.111,518 0.942,519 0.949,520 0.706,521 1.224,522 0.752,523 1.178,524 1.48,525 0.831,526 1.029,527 0.92,528 0.98,529 1.168,530 0.791,531 0.933,532 0.676,533 1.095,534 0.874,535 0.623,536 0.977,537 0.87,538 1.216,539 0.772,540 1.236,541 4.5,542 0.058,543 1.778,544 1.153,545 0.917,546 0.729,547 0.47,548 0.204,549 0.174,550 0.12,551 7139,552 21680,553 2.179,554 39,556 13,557 1,558 1,559 1,564 1.687,565 2.113,566 3.14,567 -0.198,569 1,573 72.008,574 1.756,575 3.68,576 4.471,577 4.87,578 4.87,579 4.87,580 2.493,581 4.244,582 4.615,583 3.292,584 987.473,585 8.018,586 12035.6,587 1,588 1,590 1,591 219.66,592 1.078,593 4.606,594 0.161,595 0.006,596 0.047,597 0.033,598 0.027,599 0.021,600 0.013,601 0.006,602 0.006,603 0.006,604 0.325,605 0.17,606 1,607 0.372,608 119.203,609 -0.046,610 -0.392,611 0.042,612 -0.183,613 -0.04,614 -0.067,615 0.049,616 0.196,617 0.004,618 0.047,619 0.118,620 -0.019,621 -0.148,622 -0.142,623 -0.071,624 -0.003,625 -0.093,626 -0.016,627 0.107,628 -0.038,629 0.084,630 -0.024,631 0.066,632 0.03,633 -0.098,634 0.135,635 -0.067,636 0.151,637 -0.148,638 0.117,639 -0.223,640 -0.323,641 -0.093,642 -0.199,643 -0.058,644 -0.163,645 -0.208,646 0.296,647 -0.161,648 0.191,649 -0.229,650 0.003,651 0.146,652 -0.011,653 -0.022,654 -0.184,655 0.031,656 -0.201,657 1.232,658 1.936,659 0.92,660 20.397,661 1.019,662 1.139,663 3.54,664 12.534,665 0.687,666 3.367,667 3.664,668 3.912,669 4.19,670 4.382,671 4.466,672 4.625,673 4.779,674 4.86,675 4.905,676 5.641,677 0.666,678 357.84,679 3.367,680 4.89,681 5.727,682 6.592,683 7.444,684 8.316,685 9.175,686 10.051,687 10.915,688 11.793,689 17.1,695 1,697 2,699 4,702 1,704 7,705 4,709 5,710 1,711 17,724 1,726 1,730 1,731 41,733 17,734 1,735 28,737 44,738 16,739 12,740 2,741 4,746 4,747 4,748 1,761 12,762 4,778 1,781 16,782 7,783 1,784 9,785 1,790 7,794 1,795 1,803 1,811 1,812 3,839 1,840 4,845 1,848 25,854 4,855 1,856 1,859 1,869 1,870 2.4,874 1,877 11.833,878 7.343,879 5.472,880 2.378,881 2.685,882 1.375,883 1.005,884 4.786,885 9.849,886 3.624,887 4.193,888 4.739,889 5.321,890 5.768,891 6.051,892 6.449,893 6.87,894 7.19,895 7.505,896 0.833,897 35,898 9.167,900 3.845,901 7.678,902 17.473,904 14.009,905 2.178,906 54.444,909 1,910 176.567,911 90.827,912 89.931,913 39.149,914 11,917 90.827,918 226.715,919 89.931,921 13.396,922 56.429,923 89.791,924 38.216,925 17.468,926 153.024,927 39.149,928 176.567,929 180.758,930 11,931 39.149,933 176.567,935 11,937 47.928,938 65.81,939 106.168,941 176.567,942 100.931,943 129.976,946 176.567,947 25.351,948 70.377,949 18.011,950 117.168,951 176.567,952 100.931,953 129.976,955 0.571,956 0.324,957 0.182,958 0.096,959 19,960 7,961 0.091,962 4,964 1,965 3.786,966 210.504,968 23,969 112.096,974 16.271,975 7.354,976 3.899,978 99.155,979 12.689,980 17.755,984 2.918,985 1.606,986 18.011,987 407.473,988 36.5,999 41.782,1000 46.718,1001 0.328,1002 0.687,1003 0.834,1004 0.909,1005 0.909,1006 0.909,1007 4.838,1008 1.186,1009 5.68,1010 4.069,1011 4.344,1012 4.879,1013 1.324,1014 6.438,1015 4.172,1016 6.012,1017 1.081,1018 7.194,1019 2.631,1020 3.761,1021 4.477,1022 0.325,1023 7.168,1024 3.439,1025 7.29,1026 1,1027 8.804,1028 2.581,1029 5.878,1030 6.999,1031 0.958,1032 10.273,1033 5.537,1034 8.601,1035 0.802,1036 10.473,1037 2.136,1038 6.133,1039 7.437,1040 0.268,1041 11.844,1042 5.653,1043 9.944,1044 0.618,1045 12.18,1046 1.961,1047 7.672,1048 9.378,1049 0.736,1050 14.42,1051 7.16,1052 11.308,1054 13.914,1055 1.372,1056 8.333,1057 10.229,1058 0.188,1059 16.352,1060 7.692,1061 12.689,1062 -0.412,1063 15.666,1065 9.616,1066 11.9,1067 0.57,1068 18.727,1069 8.926,1070 3.029,1071 -0.492,1072 17.432,1073 -0.937,1074 10.483,1075 12.975,1076 0.125,1077 20.826,1078 9.674,1079 2.692,1080 9.704,1081 19.209,1082 -1.27,1083 11.649,1084 14.508,1085 0.439,1086 23.122,1087 10.777,1088 2.68,1089 8.635,1090 20.994,1091 4.033,1092 12.622,1093 15.708,1094 0.082,1095 25.3,1096 11.637,1097 2.3,1098 7.786,1099 22.785,1100 3.657,1101 13.737,1102 17.168,1103 0.334,1104 27.566,1105 12.678,1106 1.931,1107 6.539,1108 24.582,1109 3.436,1110 14.764,1111 18.442,1112 0.054,1113 29.784,1114 13.597,1115 1.695,1116 5.192,1117 26.384,1118 2.846,1119 15.859,1120 19.863,1121 0.252,1122 32.04,1123 14.609,1124 1.643,1125 4.464,1126 28.19,1127 2.535,1128 16.915,1129 21.18,1130 0.035,1131 34.278,1132 15.561,1133 6706,1134 11838,1135 19.474,1136 28.159,1137 41.689,1138 41.554,1139 41.506,1140 41.583,1141 41.312,1142 53.6,1143 4.12,1144 114.139,1145 37.726,1146 5.37,1147 5.21,1148 6.114,1149 5.041,1150 5.029,1151 7.033,1152 1.72,1153 16.183,1154 4.753,1155 6.487,1156 1.489,1157 1.484,1158 1.482,1159 1.485,1160 1.475,1161 1.914,1162 0.147,1163 4.076,1164 1.347,1165 4.003,1166 4.068,1167 4.019,1168 3.855,1169 5.146,1170 3.859,1171 3.881,1172 3.918,1173 3.928,1174 3.727,1175 4.943,1176 3.759,1177 3.782,1178 3.842,1179 3.707,1180 3.565,1181 4.842,1182 3.589,1183 3.566,1184 3.626,1185 3.517,1186 3.338,1187 4.606,1188 3.372,1189 3.111,1190 3.206,1191 3.31,1192 2.941,1193 4.365,1194 2.91,1195 3.047,1196 3.118,1197 2.908,1198 2.857,1199 4.048,1200 2.865,1201 2.878,1202 2.922,1203 2.866,1204 2.78,1205 3.927,1206 2.759,1207 2.85,1208 2.92,1209 2.759,1210 2.554,1211 3.636,1212 2.597,1213 0.156,1214 0.115,1215 0.225,1216 0.141,1217 0.108,1218 4.37,1219 0.144,1220 3.21,1221 0.031,1222 6.312,1223 0.347,1224 3.938,1225 0.098,1226 3.029,1227 4.033,1228 0.86,1229 9.704,1230 2.753,1231 1.888,1232 1.86,1233 1.976,1234 2.054,1235 1.197,1236 2.021,1237 1.757,1238 1.697,1239 1.923,1240 1.951,1241 1.06,1242 1.954,1243 1.581,1244 1.52,1245 1.691,1246 1.842,1247 0.825,1248 1.808,1249 1.43,1250 1.38,1251 1.587,1252 1.58,1253 0.711,1254 1.596,1255 1.173,1256 1.09,1257 1.513,1258 1.502,1259 0.528,1260 1.446,1261 1.153,1262 1.064,1263 1.292,1264 1.376,1265 0.274,1266 1.429,1267 0.939,1268 0.874,1269 1.154,1270 1.216,1271 0.257,1272 1.197,1273 0.866,1274 0.824,1275 1.071,1276 1.024,1277 0.156,1278 1.056,1279 4.043,1281 5.342,1282 2.398,1283 6.832,1284 4.443,1285 8.408,1286 6.293,1287 10.029,1290 6.047,1295 2.776,1296 3.181,1297 5.402,1300 2.071,1305 27.326,1306 72.008,1307 150.889,1308 183.295,1309 199.66,1310 199.66,1311 199.66,1312 27.349,1313 7.164,1314 80.99,1315 80.99,1316 23,1317 12.333,1318 4.17,1319 3.248,1320 35.611,1321 84,1322 77,1323 0.207,1324 171.144,1325 283.1,1326 409.352,1327 11127,1328 2.4,1329 17.062,1330 0.682,1331 0.564,1332 17.562,1333 14.095,1334 12.276,1335 0.438,1336 0.295,1337 7.755,1338 11.318,1339 7.634,1340 6.264,1341 12.565,1342 8.27,1343 10.909,1344 0.287,1345 0.155,1346 11.318,1347 5.881,1348 8.972,1349 0.183,1350 0.08,1351 9.235,1352 3.931,1353 7.776,1354 0.12,1355 0.041,1356 8.044,1357 2.69,1358 5.934,1359 0.075,1360 0.021,1361 6.1,1362 1.641,1363 0.316,1364 81.068,1365 0.227,1366 24.007,1367 0.592,1368 132,1369 424.142,1370 165.662,1371 435.553,1372 595.03,1373 410,1374 153,1375 428.186,1376 181.847,1377 436.339,1378 640.47,1379 411,1380 5.553}
{0 CHEMBL1940138,1 1.658,2 8,3 2.121,4 4.497,5 91.977,6 7.87,7 0.607,8 3.902,9 4.02,10 3.523,11 3.359,12 5.04,13 3.382,14 4.429,15 4.61,16 3.881,17 3.725,18 5.555,19 3.732,20 4.597,21 4.803,22 3.866,23 3.817,24 5.653,25 3.796,26 4.599,27 4.828,28 3.839,29 3.781,30 5.678,31 3.748,32 4.556,33 4.786,34 3.864,35 3.753,36 5.679,37 3.742,38 4.486,39 4.672,40 3.881,41 3.798,42 5.559,43 3.795,44 4.611,45 4.796,46 3.861,47 3.932,48 5.686,49 3.872,50 4.771,51 4.999,52 3.663,53 3.959,54 5.709,55 3.828,56 0.08,57 0.701,58 8.208,59 3.315,60 8.428,61 4.358,62 0.417,63 1.087,64 16.606,65 5.503,66 24.939,67 7.289,68 0.438,69 1.21,70 20.848,71 6.036,72 31.271,73 8.694,74 0.416,75 1.228,76 21.015,77 6.081,78 35.54,79 9.106,80 0.531,81 1.168,82 20.667,83 5.224,84 47.244,85 8.211,86 0.328,87 1.185,88 16.933,89 5.003,90 18.588,91 7.129,92 0.489,93 1.256,94 19.473,95 6.934,96 29.026,97 9.618,98 0.301,99 1.282,100 25.146,101 9.764,102 32.335,103 13.605,104 5,105 39,106 0.287,107 0.636,108 0.801,109 0.841,110 0.841,111 0.841,112 3.268,113 0.867,114 -4.36,115 -4.3,116 -4.05,119 39.5,120 1,125 4,142 4,143 1,144 1,145 1,149 1,150 2,151 1,161 1,172 4,174 8,175 4,180 2,183 4,186 1,187 4,192 2,195 2,198 5,199 7,204 1,211 2,212 8,215 2,223 2,224 6,232 1,236 2,237 6,240 3,245 2,250 3,258 1,262 1,263 3,266 1,268 1,271 1,275 827,276 17.154,277 17.154,278 17.154,279 17.154,280 17.154,281 15.158,282 19.53,283 10.228,284 17.819,285 13.864,286 13.864,287 13.864,288 13.864,289 13.864,290 10.868,291 23.713,292 4.898,293 14.961,294 3.769,295 1.757,296 0.808,297 0.576,298 0.576,299 0.576,300 3.967,303 1,304 1,305 1,306 437,307 2,310 65.2,311 230.64,318 1.04,319 23.618,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55,331 200,332 4.47,333 3.255,334 6.52,335 4.034,336 3.115,337 4.172,338 0.86,339 10.278,340 2.881,341 4.209,342 3.043,343 6.221,344 3.787,345 2.848,346 3.836,347 0.8,348 9.28,349 2.678,350 3.979,351 2.869,352 6.033,353 3.654,354 2.723,355 3.475,357 8.704,358 2.511,359 3.6,360 2.492,361 5.154,362 3.211,363 2.274,364 2.891,366 6.277,367 2.125,368 3.343,369 2.275,370 4.968,371 2.92,372 1.992,373 2.621,375 5.651,376 1.842,377 2.936,378 2.104,379 4.455,380 2.624,381 1.732,382 2.036,384 4.408,385 1.541,386 2.79,387 1.557,388 4.143,389 2.323,390 1.374,391 1.887,393 3.584,394 1.3,395 2.565,396 1.34,397 3.769,398 2.108,399 1.153,400 1.592,402 2.706,403 1.099,404 2.555,405 1.256,406 3.49,407 2.068,408 1.121,409 1.579,411 2.566,412 1.058,413 2.294,414 1.255,415 3.469,416 1.952,417 1,418 1.218,420 2.476,421 0.946,422 2.186,423 1.051,424 3.393,425 1.904,426 1,427 1.129,428 2.136,429 0.898,430 2,431 0.803,432 3.247,433 1.69,434 0.789,435 1,436 2.067,437 0.711,438 0.986,439 -0.057,440 2.667,441 0.559,442 -0.383,443 -0.493,445 -0.868,446 -0.355,447 0.872,448 -0.261,449 2.601,450 0.461,451 -0.462,452 -0.552,454 -1.181,455 -0.423,456 0.846,457 -0.331,458 2.385,459 0.435,460 -0.492,461 -0.622,463 -1.286,464 -0.454,465 11.567,466 0.463,467 0.554,468 0.022,469 35.25,470 1.41,471 17,472 0.68,473 18.25,474 0.73,475 17.913,476 0.717,477 26.833,478 0.624,479 25.02,480 1.001,481 7.01,482 0.28,483 5.193,484 0.208,485 0.072,487 0.329,493 0.96,494 1.666,495 0.728,496 1.238,497 0.925,498 0.988,499 1.015,500 0.884,501 0.84,502 0.866,503 0.685,504 0.833,505 1.224,506 1.207,507 1.009,508 0.939,509 1.037,510 0.928,511 0.853,512 1.116,513 0.952,514 1.005,515 0.929,516 0.983,517 0.906,518 1,519 0.844,520 0.691,521 0.853,522 0.716,523 1.106,524 1.16,525 1.063,526 0.973,527 0.81,528 0.969,529 0.761,530 0.984,531 1.186,532 1.132,533 0.738,534 1.211,535 0.738,536 1.12,537 1.179,538 1.45,539 0.825,540 1.414,541 4.5,542 0.012,543 2.667,544 1.25,545 0.997,546 0.993,547 0.547,548 0.299,549 0.243,550 0.11,551 6699,552 18568,553 2.154,554 41.9,556 12,557 1,558 1,559 1,560 3,564 1.689,565 2.055,566 3.006,567 -0.238,568 1,569 1,571 1,573 71.274,574 1.658,575 3.669,576 4.618,577 4.851,578 4.851,579 4.851,580 2.263,581 4.134,582 4.616,583 3.163,584 948.859,585 8.033,586 11455.1,588 1,590 1,591 233.329,592 1.26,593 4.592,594 0.161,595 0.006,596 0.068,597 0.033,598 0.028,599 0.026,600 0.014,601 0.008,602 0.009,603 0.007,604 0.36,605 0.33,606 1,607 0.477,608 117.936,609 -0.098,610 -0.461,611 0.067,612 -0.189,613 -0.109,614 -0.058,615 0.062,616 0.241,617 0.071,618 0.088,619 0.09,620 0.068,621 -0.192,622 -0.158,623 -0.063,624 0.014,625 -0.1,626 0.002,627 -0.006,628 -0.05,629 -0.006,630 -0.082,631 -0.047,632 -0.052,633 0.044,634 0.069,635 0.124,636 0.211,637 0.074,638 0.197,639 -0.224,640 0.027,641 -0.19,642 -0.048,643 -0.119,644 -0.089,645 0.059,646 0.135,647 -0.318,648 -0.129,649 -0.011,650 -0.264,651 -0.028,652 -0.183,653 -0.248,654 -0.383,655 -0.057,656 -0.359,657 1.494,658 3.776,659 0.92,660 19.037,661 1.013,662 1.137,663 3.134,664 9.824,665 0.663,666 3.367,667 3.689,668 3.97,669 4.248,670 4.466,671 4.564,672 4.779,673 4.905,674 5.011,675 5.004,676 5.315,677 0.645,678 338.41,679 3.367,680 4.905,681 5.759,682 6.637,683 7.508,684 8.394,685 9.273,686 10.162,687 11.046,688 11.937,689 14,695 1,697 1,699 4,702 1,704 6,705 4,709 6,710 1,711 17,726 1,728 1,731 43,733 17,734 1,735 28,737 46,738 17,739 12,740 2,741 4,746 4,747 4,752 1,761 12,762 5,777 1,778 1,781 18,782 7,783 1,784 8,787 1,790 6,794 1,795 2,811 1,812 3,839 1,840 4,844 1,848 25,853 1,854 4,856 1,859 1,870 4.7,872 1,874 1,877 12.167,878 8.067,879 5.444,880 2.529,881 2.774,882 1.385,883 0.975,884 4.343,885 9.985,886 3.624,887 4.223,888 4.815,889 5.415,890 5.915,891 6.253,892 6.753,893 7.162,894 7.535,895 7.8,896 0.667,897 38,898 9.202,900 3.899,901 7.72,902 17.53,904 14.198,905 2.22,906 55.5,910 200.109,911 89.861,912 72.166,914 53.683,917 89.861,918 253.792,919 72.166,920 8.825,921 13.396,922 46.952,923 134.924,924 19.584,925 15.569,926 176.567,928 200.109,929 162.026,930 53.683,933 202.437,934 42.683,935 11,937 39.294,938 53.262,939 67.142,941 200.109,942 125.849,943 89.861,946 200.109,947 25.036,948 69.848,950 120.825,951 200.109,952 125.849,953 89.861,955 0.579,956 0.338,957 0.187,958 0.1,959 20,960 8,961 0.065,962 3,964 1,965 3.683,966 216.436,968 23,969 112.096,974 16.001,975 6.786,976 3.339,978 123.95,979 10.423,980 18.043,984 3.308,985 1.817,986 42.683,987 415.818,988 36.5,999 43.567,1000 48.9,1001 0.305,1002 0.676,1003 0.851,1004 0.894,1005 0.894,1006 0.894,1007 4.854,1008 1.153,1009 5.733,1010 3.584,1011 4.369,1012 4.909,1013 1.235,1014 6.535,1015 4.223,1016 6.048,1017 1.121,1018 7.281,1019 2.706,1020 3.892,1021 4.62,1022 0.325,1023 7.391,1024 3.664,1025 7.345,1026 1,1027 8.93,1028 2.566,1029 5.948,1030 7.079,1031 0.938,1032 10.506,1033 5.656,1034 8.679,1035 1,1036 10.639,1037 2.476,1038 6.312,1039 7.638,1040 0.268,1041 12.2,1042 5.934,1043 10.047,1044 0.789,1045 12.388,1046 2.136,1047 7.813,1048 9.534,1049 0.732,1050 14.801,1051 7.376,1052 11.437,1053 -0.383,1054 14.162,1055 2.067,1056 8.566,1057 10.496,1058 0.188,1059 16.833,1060 8.042,1061 12.845,1062 -0.462,1063 15.955,1064 -0.868,1065 9.834,1066 12.14,1067 0.57,1068 19.247,1069 9.248,1070 3.115,1071 -0.492,1072 17.761,1073 -1.181,1074 10.773,1075 13.309,1076 0.125,1077 21.426,1078 10.101,1079 2.848,1080 10.278,1081 19.578,1082 -1.286,1083 11.942,1084 14.831,1085 0.438,1086 23.769,1087 11.205,1088 2.723,1089 9.28,1090 21.401,1091 4.172,1092 12.969,1093 16.109,1094 0.082,1095 26.014,1096 12.148,1097 2.274,1098 8.704,1099 23.231,1100 3.836,1101 14.099,1102 17.573,1103 0.334,1104 28.33,1105 13.209,1106 1.992,1107 6.277,1108 25.065,1109 3.475,1110 15.169,1111 18.91,1112 0.054,1113 30.607,1114 14.197,1115 1.732,1116 5.651,1117 26.902,1118 2.891,1119 16.285,1120 20.346,1121 0.252,1122 32.916,1123 15.24,1124 1.374,1125 4.408,1126 28.743,1127 2.621,1128 17.377,1129 21.716,1130 0.035,1131 35.209,1132 16.252,1133 6347,1134 10701,1135 19.186,1136 28.512,1137 42.569,1138 42.432,1139 42.868,1140 42.265,1141 42.24,1142 54.871,1143 3.32,1144 120.267,1145 39.178,1146 5.47,1147 5.255,1148 6.322,1149 5.137,1150 5.115,1151 7.172,1152 1.72,1153 17.117,1154 4.881,1155 8.908,1156 1.52,1157 1.515,1158 1.531,1159 1.509,1160 1.509,1161 1.96,1162 0.119,1163 4.295,1164 1.399,1165 4.036,1166 4.091,1167 4.007,1168 3.884,1169 6.471,1170 3.901,1171 3.88,1172 3.919,1173 3.829,1174 3.732,1175 5.117,1176 3.758,1177 3.78,1178 3.835,1179 3.69,1180 3.562,1181 4.853,1182 3.585,1183 3.527,1184 3.584,1185 3.461,1186 3.304,1187 4.617,1188 3.338,1189 3.111,1190 3.206,1191 2.883,1192 2.941,1193 4.554,1194 2.91,1195 3.063,1196 3.166,1197 2.866,1198 2.879,1199 3.983,1200 2.849,1201 2.961,1202 2.995,1203 2.807,1204 2.767,1205 3.898,1206 2.785,1207 2.903,1208 2.96,1209 2.78,1210 2.745,1211 3.753,1212 2.742,1213 0.16,1214 0.116,1215 0.233,1216 0.144,1217 0.111,1218 4.47,1219 0.149,1220 3.255,1221 0.031,1222 6.52,1223 0.367,1224 4.034,1225 0.103,1226 3.115,1227 4.172,1228 0.86,1229 10.278,1230 2.881,1231 1.918,1232 1.891,1233 2.005,1234 2.071,1235 1.198,1236 2.043,1237 1.739,1238 1.683,1239 1.918,1240 1.943,1241 1.074,1242 1.94,1243 1.611,1244 1.55,1245 1.766,1246 1.848,1247 0.853,1248 1.827,1249 1.409,1250 1.341,1251 1.61,1252 1.635,1253 0.825,1254 1.634,1255 1.315,1256 1.258,1257 1.513,1258 1.529,1259 0.602,1260 1.515,1261 1.153,1262 1.064,1263 1.454,1264 1.376,1265 0.429,1266 1.429,1267 0.883,1268 0.843,1269 1.143,1270 1.152,1271 0.246,1272 1.133,1273 0.877,1274 0.824,1275 1.092,1276 1.116,1277 0.154,1278 1.11,1279 4.043,1281 5.361,1282 2.398,1283 6.876,1284 4.595,1285 8.477,1286 6.555,1287 10.124,1289 1.895,1294 9.776,1295 2.747,1297 5.412,1300 2.077,1305 27.719,1306 71.274,1307 157.766,1308 198.574,1309 208.574,1310 208.574,1311 208.574,1312 31.296,1313 7.212,1314 89.19,1315 89.19,1316 23,1317 12.467,1318 4.17,1319 3.248,1320 35.507,1321 81,1322 72,1323 0.221,1324 169.606,1325 282.98,1326 405.598,1327 11348,1329 17.225,1330 0.689,1331 0.553,1332 17.225,1333 13.831,1334 12.204,1335 0.436,1336 0.289,1337 7.923,1338 11.545,1339 7.771,1340 6.396,1341 12.204,1342 8.091,1343 10.989,1344 0.282,1345 0.148,1346 10.989,1347 5.753,1348 9.31,1349 0.179,1350 0.078,1351 9.31,1352 4.051,1353 7.964,1354 0.115,1355 0.04,1356 7.964,1357 2.73,1358 6.257,1359 0.073,1360 0.02,1361 6.257,1362 1.7,1363 0.333,1364 77.59,1365 0.228,1366 23.716,1367 0.651,1368 134,1369 419.756,1370 152.47,1371 400.685,1372 556.94,1373 378,1374 158,1375 421.272,1376 176.945,1377 421.481,1378 621.5,1379 397,1380 7.276}
{0 CHEMBL1940139,1 1.663,2 8.64,3 0.384,4 0.147,5 91.593,6 8.081,7 0.607,8 3.892,9 4.028,10 3.535,11 3.295,12 5.053,13 3.339,14 4.418,15 4.617,16 3.892,17 3.655,18 5.576,19 3.682,20 4.543,21 4.757,22 3.866,23 3.746,24 5.61,25 3.746,26 4.558,27 4.793,28 3.823,29 3.731,30 5.669,31 3.703,32 4.514,33 4.756,34 3.828,35 3.7,36 5.55,37 3.693,38 4.439,39 4.629,40 3.897,41 3.738,42 5.583,43 3.744,44 4.573,45 4.77,46 3.834,47 3.853,48 5.626,49 3.81,50 4.731,51 4.981,52 3.664,53 3.816,54 5.731,55 3.706,56 0.107,57 0.722,58 7.719,59 2.607,60 9.152,61 3.84,62 0.516,63 1.055,64 16.364,65 4.656,66 31.591,67 6.558,68 0.467,69 1.154,70 19.069,71 4.614,72 27.744,73 7.424,74 0.51,75 1.143,76 19.482,77 5.232,78 40.462,79 8.168,80 0.454,81 1.095,82 19.621,83 4.694,84 32.624,85 7.948,86 0.448,87 1.135,88 15.328,89 4.689,90 24.145,91 6.657,92 0.411,93 1.213,94 18.071,95 5.736,96 24.914,97 8.526,98 0.485,99 1.156,100 24.456,101 7.647,102 43.559,103 11.631,104 5,105 39,106 0.29,107 0.62,108 0.784,109 0.803,110 0.803,111 0.803,112 3.268,113 0.844,114 -3.62,115 -3.59,116 -3.42,119 35.7,120 1,125 4,143 1,145 3,149 1,150 3,151 1,161 1,163 1,164 1,165 1,174 9,175 6,177 2,178 2,186 1,198 9,199 5,204 1,209 1,211 2,223 8,224 3,226 2,227 2,232 1,236 2,237 1,249 2,250 2,252 3,253 3,262 3,263 1,275 838,276 17.154,277 17.154,278 17.154,279 17.154,280 17.154,281 15.158,282 20.535,283 10.191,284 17.936,285 13.847,286 13.847,287 13.847,288 13.847,289 13.847,290 10.862,291 25.05,292 4.879,293 15.117,294 3.729,295 1.835,296 0.893,297 0.78,298 0.78,299 0.78,300 3.967,304 1,305 1,306 473,307 2,310 65.836,311 232.566,318 1.203,319 23.163,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 55.5,331 216,332 4.468,333 3.254,334 6.519,335 4.029,336 3.113,337 4.169,338 0.86,339 10.272,340 2.862,341 4.198,342 3.043,343 6.214,344 3.77,345 2.841,346 3.821,347 0.8,348 9.251,349 2.648,350 3.969,351 2.816,352 6.02,353 3.637,354 2.709,355 3.469,357 8.645,358 2.496,359 3.642,360 2.439,361 5.13,362 3.215,363 2.308,364 2.957,366 6.21,367 2.09,368 3.371,369 2.273,370 4.997,371 2.946,372 2.026,373 2.646,375 5.769,376 1.86,377 2.943,378 2.108,379 4.475,380 2.625,381 1.733,382 2.04,384 4.444,385 1.543,386 2.748,387 1.549,388 4.19,389 2.274,390 1.354,391 1.828,393 3.693,394 1.241,395 2.562,396 1.26,397 3.77,398 2.098,399 1.138,400 1.587,402 2.687,403 1.09,404 2.5,405 1.256,406 3.489,407 1.952,408 1.053,409 1.5,411 2.56,412 0.946,413 2.298,414 1.249,415 3.414,416 1.926,417 1,418 1.227,420 2.275,421 0.916,422 2.187,423 1,424 3.393,425 1.917,426 1,427 1.129,428 2.136,429 0.916,430 2,431 0.808,432 3.247,433 1.692,434 0.792,435 1,436 2.071,437 0.713,438 1.179,439 -0.033,440 2.682,441 0.764,442 -0.15,443 -0.189,445 -0.34,446 -0.137,447 0.867,448 -0.262,449 2.601,450 0.461,451 -0.462,452 -0.555,454 -1.181,455 -0.423,456 0.751,457 -0.34,458 2.388,459 0.381,460 -0.55,461 -0.654,463 -1.328,464 -0.51,465 11.433,466 0.457,467 0.554,468 0.022,469 36.25,470 1.45,471 17,472 0.68,473 19.25,474 0.77,475 17.386,476 0.695,477 26.967,478 0.642,479 25.372,480 1.015,481 7.151,482 0.286,483 5.052,484 0.202,485 0.079,487 0.332,493 1.013,494 1.863,495 0.705,496 1.338,497 0.994,498 1.006,499 1.065,500 0.806,501 0.809,502 0.782,503 0.724,504 0.766,505 1.298,506 1.303,507 0.997,508 0.952,509 0.974,510 0.917,511 0.817,512 0.945,513 1.013,514 1.01,515 1.035,516 1.035,517 0.904,518 1.129,519 0.765,520 0.786,521 0.865,522 0.733,523 0.887,524 0.89,525 1,526 0.983,527 0.679,528 1.001,529 0.979,530 1.232,531 1.194,532 1.27,533 0.98,534 1.267,535 0.79,536 1.11,537 1.181,538 1.44,539 0.937,540 1.405,541 4.5,542 0.045,543 2.889,544 1.125,545 0.917,546 1.104,547 0.603,548 0.273,549 0.243,550 0.167,551 6783,552 19594,553 2.154,554 40.5,556 8,557 1,558 3,559 2,560 3,564 1.689,565 2.055,566 3.066,567 0.431,569 1,573 69.858,574 1.663,575 3.557,576 4.499,577 4.612,578 4.612,579 4.612,580 2.459,581 3.974,582 4.614,583 3.223,584 966.77,585 8.027,586 11590.7,588 1,591 226.477,592 1.26,593 4.592,594 0.161,595 0.007,596 0.074,597 0.03,598 0.026,599 0.03,600 0.015,601 0.008,602 0.009,603 0.012,604 0.372,605 0.5,606 1,607 0.477,608 118.223,609 -0.145,610 -0.6,611 0.072,612 -0.275,613 -0.132,614 -0.083,615 0.113,616 0.296,617 0.112,618 0.168,619 0.204,620 0.128,621 -0.259,622 -0.249,623 -0.067,624 0.013,625 -0.087,626 0.013,627 0.055,628 0.115,629 -0.081,630 -0.07,631 -0.062,632 -0.103,633 -0.017,634 -0.124,635 0.198,636 0.182,637 -0.004,638 0.239,639 0.043,640 0.307,641 -0.151,642 -0.024,643 0.092,644 -0.117,645 -0.148,646 -0.107,647 -0.335,648 -0.232,649 -0.21,650 -0.303,651 0.039,652 -0.168,653 -0.211,654 -0.407,655 -0.04,656 -0.371,657 1.461,658 1.909,659 0.92,660 19.619,661 1.019,662 1.151,663 2.39,664 5.711,665 0.656,666 3.367,667 3.689,668 3.97,669 4.234,670 4.466,671 4.575,672 4.762,673 4.905,674 5.004,675 5.03,676 5.404,677 0.643,678 339.41,679 3.367,680 4.905,681 5.759,682 6.635,683 7.506,684 8.389,685 9.269,686 10.156,687 11.04,688 11.93,689 21.4,693 1,695 1,697 1,699 6,702 1,704 4,705 6,709 6,710 1,711 17,722 1,726 1,731 42,733 17,735 28,737 45,738 15,739 10,746 4,747 4,752 1,761 10,762 5,777 1,778 1,781 17,782 9,783 2,784 10,787 1,790 9,794 1,795 1,806 1,811 1,812 3,839 1,840 4,844 1,848 25,849 1,854 4,856 1,859 1,870 2.4,874 1,877 12.167,878 7.933,879 5.444,880 2.407,881 2.764,882 1.383,883 1.002,884 4.26,885 9.976,886 3.624,887 4.223,888 4.815,889 5.405,890 5.915,891 6.263,892 6.741,893 7.165,894 7.529,895 7.833,896 0.833,897 38,898 9.161,900 3.85,901 7.72,902 17.362,904 13.884,905 2.22,906 55.5,910 176.567,911 71.95,912 138.634,914 11,917 71.95,918 187.566,919 138.634,920 8.825,921 13.396,922 41.945,923 149.354,924 37.679,925 17.468,926 129.482,928 176.567,929 210.584,930 11,933 178.894,935 11,937 59.288,938 48.254,939 100.713,941 176.567,942 149.634,943 71.95,946 176.567,947 26.935,948 50.038,950 144.61,951 176.567,952 149.634,953 71.95,955 0.581,956 0.338,957 0.182,958 0.099,959 20,960 8,961 0.067,962 3,964 1,965 3.698,966 215.608,968 23,969 108.096,974 15.878,975 6.707,976 3.292,978 147.735,979 6.729,980 26.032,984 3.242,985 1.813,986 32.897,987 398.15,988 36.5,999 42.778,1000 48.355,1001 0.308,1002 0.66,1003 0.834,1004 0.855,1005 0.855,1006 0.855,1007 4.854,1008 1.138,1009 5.733,1010 3.693,1011 4.369,1012 4.909,1013 1.235,1014 6.532,1015 4.201,1016 6.048,1017 1.053,1018 7.281,1019 2.687,1020 3.892,1021 4.62,1022 0.325,1023 7.391,1024 3.653,1025 7.345,1026 1,1027 8.93,1028 2.56,1029 5.948,1030 7.079,1031 0.938,1032 10.495,1033 5.615,1034 8.679,1035 1,1036 10.638,1037 2.275,1038 6.312,1039 7.638,1040 0.268,1041 12.191,1042 5.909,1043 10.046,1044 0.792,1045 12.385,1046 2.136,1047 7.811,1048 9.532,1049 0.732,1050 14.785,1051 7.319,1052 11.436,1053 -0.15,1054 14.158,1055 2.071,1056 8.561,1057 10.491,1058 0.188,1059 16.819,1060 7.998,1061 12.844,1062 -0.462,1063 15.95,1064 -0.34,1065 9.827,1066 12.133,1067 0.57,1068 19.229,1069 9.179,1070 3.113,1071 -0.55,1072 17.755,1073 -1.181,1074 10.762,1075 13.297,1076 0.125,1077 21.409,1078 10.038,1079 2.841,1080 10.272,1081 19.57,1082 -1.328,1083 11.931,1084 14.819,1085 0.438,1086 23.749,1087 11.123,1088 2.709,1089 9.251,1090 21.393,1091 4.169,1092 12.955,1093 16.094,1094 0.082,1095 25.994,1096 12.069,1097 2.308,1098 8.645,1099 23.222,1100 3.821,1101 14.084,1102 17.557,1103 0.334,1104 28.31,1105 13.115,1106 2.026,1107 6.21,1108 25.055,1109 3.469,1110 15.152,1111 18.891,1112 0.054,1113 30.586,1114 14.102,1115 1.733,1116 5.769,1117 26.892,1118 2.957,1119 16.267,1120 20.326,1121 0.252,1122 32.895,1123 15.134,1124 1.354,1125 4.444,1126 28.732,1127 2.646,1128 17.357,1129 21.695,1130 0.035,1131 35.188,1132 16.142,1133 6425,1134 11071,1135 19.186,1136 27.551,1137 42.487,1138 42.334,1139 42.862,1140 42.137,1141 42.134,1142 54.746,1143 3.32,1144 120.025,1145 38.641,1146 5.468,1147 5.254,1148 6.321,1149 5.132,1150 5.113,1151 7.169,1152 1.72,1153 17.107,1154 4.732,1155 9.047,1156 1.517,1157 1.512,1158 1.531,1159 1.505,1160 1.505,1161 1.955,1162 0.119,1163 4.287,1164 1.38,1165 4.027,1166 4.089,1167 4.002,1168 3.819,1169 5.249,1170 3.857,1171 3.848,1172 3.907,1173 3.808,1174 3.667,1175 5.093,1176 3.695,1177 3.768,1178 3.829,1179 3.682,1180 3.547,1181 4.847,1182 3.57,1183 3.516,1184 3.583,1185 3.456,1186 3.261,1187 4.616,1188 3.306,1189 3.111,1190 3.206,1191 2.935,1192 2.941,1193 4.553,1194 2.91,1195 3.065,1196 3.168,1197 2.866,1198 2.879,1199 3.981,1200 2.849,1201 3.033,1202 3.129,1203 2.807,1204 2.773,1205 3.962,1206 2.806,1207 2.839,1208 2.915,1209 2.746,1210 2.522,1211 3.884,1212 2.568,1213 0.16,1214 0.116,1215 0.233,1216 0.144,1217 0.111,1218 4.468,1219 0.149,1220 3.254,1221 0.031,1222 6.519,1223 0.367,1224 4.029,1225 0.102,1226 3.113,1227 4.169,1228 0.86,1229 10.272,1230 2.862,1231 1.847,1232 1.797,1233 1.94,1234 2.067,1235 1.197,1236 2.027,1237 1.699,1238 1.641,1239 1.857,1240 1.932,1241 0.894,1242 1.914,1243 1.598,1244 1.534,1245 1.752,1246 1.844,1247 0.825,1248 1.815,1249 1.403,1250 1.335,1251 1.6,1252 1.635,1253 0.817,1254 1.631,1255 1.298,1256 1.233,1257 1.513,1258 1.533,1259 0.588,1260 1.516,1261 1.153,1262 1.064,1263 1.434,1264 1.376,1265 0.364,1266 1.429,1267 0.944,1268 0.855,1269 1.217,1270 1.277,1271 0.189,1272 1.272,1273 0.763,1274 0.671,1275 1.067,1276 1.108,1278 1.101,1279 4.043,1281 5.361,1282 2.398,1283 6.876,1284 4.595,1285 8.476,1286 6.555,1287 10.12,1289 1.893,1293 5.569,1295 2.741,1297 5.409,1300 2.072,1305 27.015,1306 69.858,1307 149.404,1308 188.968,1309 193.722,1310 193.722,1311 193.722,1312 27.948,1313 7.212,1314 120.76,1315 120.76,1316 23,1317 12.46,1318 4.17,1319 3.248,1320 35.544,1321 82,1322 85,1323 0.218,1324 166.808,1325 272.59,1326 398.771,1327 11348,1329 17.225,1330 0.689,1331 0.548,1332 17.225,1333 13.701,1334 12.204,1335 0.436,1336 0.281,1337 7.681,1338 11.442,1339 7.547,1340 6.214,1341 12.204,1342 7.875,1343 10.977,1344 0.281,1345 0.142,1346 10.977,1347 5.533,1348 9.393,1349 0.181,1350 0.075,1351 9.393,1352 3.877,1353 7.812,1354 0.115,1355 0.037,1356 7.812,1357 2.538,1358 6.251,1359 0.073,1360 0.018,1361 6.251,1362 1.588,1363 0.33,1364 78.209,1365 0.228,1366 23.788,1367 0.638,1368 134,1369 436.209,1370 155.001,1371 417.235,1372 582.04,1373 394,1374 158,1375 444.017,1376 179.447,1377 443.789,1378 653.47,1379 417,1380 7.602}
{0 CHEMBL1940140,1 1.567,2 8.214,3 3.349,4 11.212,5 105.996,6 7.663,7 0.656,8 4.028,9 4.155,10 3.64,11 3.519,12 5.097,13 3.527,14 4.578,15 4.764,16 4.006,17 3.914,18 5.619,19 3.901,20 4.749,21 4.973,22 4.007,23 4.003,24 5.699,25 3.963,26 4.741,27 4.963,28 4.029,29 4.002,30 5.781,31 3.966,32 4.756,33 4.988,34 4.012,35 3.98,36 5.787,37 3.942,38 4.695,39 4.912,40 4.028,41 3.977,42 5.69,43 3.96,44 4.742,45 4.927,46 4.062,47 4.108,48 5.735,49 4.059,50 4.932,51 5.147,52 3.962,53 4.225,54 5.818,55 4.114,56 0.03,57 0.818,58 9.7,59 3.827,60 6.728,61 5.229,62 0.394,63 1.3,64 19.641,65 6.619,66 25.186,67 9.008,68 0.35,69 1.452,70 24.875,71 7.593,72 25.295,73 11.235,74 0.375,75 1.512,76 23.857,77 7.05,78 32.971,79 10.558,80 0.423,81 1.486,82 24.947,83 7.046,84 39.677,85 10.831,86 0.356,87 1.451,88 22.768,89 6.196,90 28.134,91 9.328,92 0.391,93 1.534,94 22.394,95 7.799,96 24.224,97 10.939,98 0.263,99 1.68,100 28.646,101 10.973,102 28.707,103 15.402,104 3,105 45,106 0.262,107 0.625,108 0.799,109 0.84,110 0.846,111 0.846,112 3.376,113 0.892,114 -4.72,115 -4.63,116 -4.35,119 40.8,120 1,121 1,125 4,142 4,143 2,145 1,149 1,150 2,151 2,152 1,161 1,172 6,174 8,175 4,180 3,183 5,186 1,187 6,192 2,195 4,198 5,199 9,204 1,207 1,211 2,212 10,215 2,223 2,224 9,232 1,236 2,237 8,240 3,245 3,250 4,258 4,262 1,263 4,266 1,268 1,271 3,275 1156,276 19.731,277 19.731,278 19.731,279 19.731,280 19.731,281 17.407,282 18.586,283 11.687,284 20.401,285 15.789,286 15.789,287 15.789,288 15.789,289 15.789,290 12.186,291 22.55,292 5.457,293 16.9,294 4.048,295 1.873,296 0.832,297 0.587,298 0.546,299 0.546,300 4.09,303 1,304 1,305 1,306 514,307 2.345,310 126.769,311 231.641,314 103.864,318 1.087,319 19.906,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 230,332 4.6,333 3.283,334 6.717,335 4.149,336 3.189,337 4.52,338 0.86,339 10.949,340 3.09,341 4.409,342 3.1,343 6.518,344 3.955,345 3.021,346 4.117,347 0.8,348 10.25,349 2.791,350 4.093,351 3.05,352 6.153,353 3.716,354 2.802,355 3.663,357 9.1,358 2.559,359 3.736,360 2.535,361 5.742,362 3.378,363 2.436,364 3.077,366 7.734,367 2.293,368 3.406,369 2.266,370 5.205,371 2.994,372 2.063,373 2.682,375 6.193,376 1.915,377 3.048,378 2.169,379 4.635,380 2.649,381 1.751,382 2.322,384 4.644,385 1.569,386 2.98,387 1.6,388 4.369,389 2.545,390 1.548,391 2.135,393 4.088,394 1.542,395 2.822,396 1.547,397 4.009,398 2.367,399 1.437,400 1.898,402 3.509,403 1.331,404 2.656,405 1.362,406 3.895,407 2.235,408 1.274,409 1.711,411 2.949,412 1.221,413 2.5,414 1.303,415 3.492,416 1.971,417 1.069,418 1.5,420 2.6,421 0.969,422 2.306,423 1.256,424 3.417,425 1.952,426 1,427 1.239,428 2.231,429 0.946,430 2.188,431 1,432 3.404,433 1.94,434 1,435 1.13,436 2.136,437 0.927,438 2,439 0.813,440 3.247,441 1.698,442 0.796,443 1,445 2.08,446 0.717,447 1.956,448 0.471,449 3.157,450 1.431,451 0.471,452 0.695,454 1.216,455 0.451,456 1.473,457 0.323,458 2.629,459 1.262,460 0.29,461 0.335,463 0.417,464 0.282,465 13.133,466 0.469,467 0.513,468 0.018,469 39,470 1.393,471 18.5,472 0.661,473 20.5,474 0.732,475 21.89,476 0.782,477 29.467,478 0.601,479 27.998,480 1,481 7.54,482 0.269,483 6.291,484 0.225,485 0.038,487 0.327,493 0.939,494 1.607,495 0.733,496 1.198,497 0.813,498 0.974,499 1.111,500 0.911,501 0.872,502 0.87,503 0.921,504 0.852,505 1.152,506 1.152,507 0.891,508 0.88,509 0.963,510 0.851,511 0.99,512 1.103,513 0.991,514 0.957,515 1.19,516 0.955,517 0.983,518 1.129,519 0.943,520 0.908,521 1.193,522 0.901,523 1.291,524 1.044,525 0.99,526 0.792,527 1.232,528 0.811,529 0.96,530 1.027,531 1.138,532 1.077,533 0.926,534 1.116,535 0.899,536 1.071,537 1.227,538 1.294,539 0.983,540 1.307,541 4,542 0.049,543 3.111,544 1.438,545 0.983,546 0.958,547 0.639,548 0.369,549 0.234,550 0.125,551 9312,552 22704,553 2.223,554 42.9,555 3,556 12,557 2,558 1,559 1,560 2,564 1.721,565 2.154,566 3.043,567 -0.288,568 1,569 1,573 76.792,574 1.567,575 3.742,576 4.783,577 5.028,578 5.069,579 5.069,580 2.258,581 4.593,582 4.781,583 3.223,584 1218.24,585 8.369,586 15850.2,588 1,590 1,591 275.121,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.032,598 0.022,599 0.022,600 0.014,601 0.008,602 0.006,603 0.005,604 0.309,605 0.17,606 0.88,607 0.515,608 136.886,609 -0.047,610 -0.408,611 0.088,612 -0.173,613 -0.006,614 -0.045,615 0.109,616 0.203,617 0.057,618 0.088,619 0.096,620 0.056,621 -0.099,622 -0.124,623 0.074,624 0.085,625 0.016,626 0.101,627 -0.032,628 0.004,629 -0.05,630 -0.038,631 -0.058,632 -0.045,633 0.025,634 -0.058,635 0.022,636 0.01,637 -0.022,638 0.018,639 -0.22,640 0.086,641 -0.045,642 0.109,643 -0.191,644 0.077,645 -0.024,646 0.114,647 -0.254,648 -0.101,649 -0.101,650 -0.192,651 -0.151,652 -0.062,653 -0.319,654 -0.253,655 -0.187,656 -0.298,657 1.076,658 1.99,659 0.929,660 22.051,661 1.005,662 1.135,663 3.488,664 12.167,665 0.67,666 3.497,667 3.829,668 4.174,669 4.489,670 4.691,671 4.828,672 5.063,673 5.247,674 5.361,675 5.455,676 5.593,677 0.644,678 375.48,679 3.497,680 5.043,681 5.922,682 6.815,683 7.708,684 8.608,685 9.507,686 10.41,687 11.313,688 12.218,689 14.3,695 1,697 2,699 4,702 1,703 2,704 7,705 4,706 1,709 5,710 1,711 21,726 1,731 49,733 21,734 1,735 32,737 53,738 20,739 14,740 3,741 3,746 5,747 6,752 1,758 1,761 14,762 6,777 1,778 1,781 21,782 6,783 1,784 8,787 1,790 7,794 0.8,795 1,807 1,811 2,812 3,815 1,839 1,840 4,844 1,848 28,854 5,856 1,859 1,870 2,874 1,877 13,878 9.2,879 6.167,880 3.153,881 3.758,882 1.481,883 1.036,884 4.55,885 11.561,886 3.773,887 4.407,888 5.083,889 5.741,890 6.238,891 6.667,892 7.195,893 7.677,894 8.026,895 8.435,896 0.667,897 45,898 10.325,900 4.407,901 7.542,902 20.052,904 16.633,905 2.042,906 57.167,908 1,909 1,910 235.422,911 106.16,912 88.951,914 11,917 106.16,918 246.422,919 88.951,920 8.825,921 15.931,922 56,923 92.241,924 38.943,925 29.485,926 200.109,928 235.422,929 195.111,930 11,933 237.75,935 11,937 58.614,938 67.027,939 67.142,941 235.422,942 99.951,943 106.16,946 235.422,947 32.287,948 78.896,949 16.786,950 78.142,951 235.422,952 99.951,953 106.16,955 0.575,956 0.355,957 0.205,958 0.104,959 24,960 9,961 0.075,962 4,963 1,964 1.077,965 3.944,966 264.264,967 0.077,968 26,969 130.606,974 17.352,975 7.342,976 3.205,977 2.151,978 81.266,979 13.783,980 18.817,981 3.255,984 3.826,985 1.937,986 16.786,987 441.533,988 42.5,999 49.225,1000 55.604,1001 0.279,1002 0.666,1003 0.852,1004 0.895,1005 0.903,1006 0.903,1007 5.006,1008 1.437,1009 5.894,1010 4.088,1011 4.511,1012 5.094,1013 1.235,1014 6.735,1015 4.383,1016 6.208,1017 1.274,1018 7.462,1019 3.509,1020 4.007,1021 4.856,1022 0.325,1023 7.678,1024 3.82,1025 7.52,1026 1.069,1027 9.135,1028 2.949,1029 6.12,1030 7.351,1031 0.938,1032 10.821,1033 5.873,1034 8.875,1035 1,1036 10.871,1037 2.6,1038 6.524,1039 8.045,1040 0.268,1041 12.619,1042 6.225,1043 10.268,1044 1,1045 12.649,1046 2.231,1047 8.036,1048 9.933,1049 0.732,1050 15.248,1051 7.683,1052 11.687,1053 0.796,1054 14.454,1055 2.136,1056 8.842,1057 11.048,1058 0.188,1059 17.373,1060 8.446,1061 13.126,1062 0.471,1063 16.278,1064 2.08,1065 10.119,1066 12.695,1067 0.57,1068 19.831,1069 9.674,1070 3.189,1071 0.29,1072 18.115,1073 1.216,1074 11.105,1075 14.007,1076 0.125,1077 22.091,1078 10.622,1079 3.021,1080 10.949,1081 19.961,1082 0.417,1083 12.29,1084 15.555,1085 0.438,1086 24.488,1087 11.764,1088 2.802,1089 10.25,1090 21.815,1091 4.52,1092 13.356,1093 16.958,1094 0.082,1095 26.806,1096 12.796,1097 2.436,1098 9.1,1099 23.674,1100 4.117,1101 14.506,1102 18.467,1103 0.334,1104 29.183,1105 13.908,1106 2.063,1107 7.734,1108 25.538,1109 3.663,1110 15.609,1111 19.914,1112 0.054,1113 31.529,1114 14.979,1115 1.751,1116 6.193,1117 27.406,1118 3.077,1119 16.747,1120 21.409,1121 0.252,1122 33.901,1123 16.084,1124 1.548,1125 4.644,1126 29.277,1127 2.682,1128 17.868,1129 22.879,1130 0.035,1131 36.261,1132 17.174,1133 8595,1134 13577,1135 22.364,1136 32.824,1137 48.501,1138 48.403,1139 49.169,1140 48.357,1141 48.297,1142 64.049,1143 3.32,1144 140.192,1145 45.209,1146 5.6,1147 5.283,1148 6.519,1149 5.252,1150 5.189,1151 7.52,1152 1.72,1153 18.198,1154 5.09,1155 6.943,1156 1.516,1157 1.513,1158 1.537,1159 1.511,1160 1.509,1161 2.002,1162 0.104,1163 4.381,1164 1.413,1165 4.14,1166 4.179,1167 4.106,1168 4.047,1169 5.133,1170 4.056,1171 3.979,1172 4.039,1173 3.944,1174 3.776,1175 4.948,1176 3.812,1177 3.797,1178 3.859,1179 3.72,1180 3.575,1181 4.82,1182 3.602,1183 3.583,1184 3.643,1185 3.506,1186 3.373,1187 4.604,1188 3.398,1189 3.374,1190 3.444,1191 3.264,1192 3.236,1193 4.291,1194 3.235,1195 3.324,1196 3.403,1197 3.114,1198 3.154,1199 3.99,1200 3.136,1201 3.111,1202 3.206,1203 2.891,1204 2.941,1205 3.968,1206 2.91,1207 2.966,1208 3.019,1209 2.866,1210 2.816,1211 3.916,1212 2.829,1213 0.144,1214 0.103,1215 0.21,1216 0.13,1217 0.1,1218 4.6,1219 0.141,1220 3.283,1221 0.027,1222 6.717,1223 0.342,1224 4.149,1225 0.097,1226 3.189,1227 4.52,1228 0.86,1229 10.949,1230 3.09,1231 1.964,1232 1.94,1233 2.032,1234 2.085,1235 1.203,1236 2.062,1237 1.754,1238 1.695,1239 1.922,1240 1.967,1241 1.169,1242 1.958,1243 1.649,1244 1.587,1245 1.87,1246 1.877,1247 1.064,1248 1.868,1249 1.515,1250 1.452,1251 1.677,1252 1.738,1253 0.825,1254 1.735,1255 1.464,1256 1.401,1257 1.631,1258 1.672,1259 0.687,1260 1.67,1261 1.311,1262 1.253,1263 1.513,1264 1.522,1265 0.651,1266 1.512,1267 1.153,1268 1.064,1269 1.459,1270 1.376,1271 0.423,1272 1.429,1273 1.024,1274 0.964,1275 1.228,1276 1.298,1277 0.302,1278 1.285,1279 4.174,1281 5.501,1282 3.045,1283 7.033,1284 5.283,1285 8.657,1286 7.286,1287 10.33,1289 2.074,1295 3.683,1297 5.49,1300 2.151,1305 31.552,1306 76.792,1307 183.364,1308 234.366,1309 246.366,1310 248.366,1311 248.366,1312 31.253,1313 7.804,1314 84.75,1315 84.75,1316 28,1317 12.737,1318 4.459,1319 3.524,1320 37.212,1321 94,1322 88,1323 0.194,1324 190.86,1325 311.19,1326 457.458,1327 24430,1329 18.924,1330 0.676,1331 0.56,1332 18.924,1333 15.669,1334 13.831,1335 0.432,1336 0.297,1337 9.34,1338 13.182,1339 9.181,1340 7.558,1341 13.831,1342 9.511,1343 12.098,1344 0.269,1345 0.148,1346 12.098,1347 6.67,1348 10.966,1349 0.171,1350 0.078,1351 10.966,1352 4.991,1353 9.741,1354 0.111,1355 0.04,1356 9.741,1357 3.545,1358 7.598,1359 0.07,1360 0.02,1361 7.598,1362 2.21,1363 0.293,1364 87.23,1365 0.211,1366 26.003,1367 0.574,1368 154,1369 433.939,1370 172.087,1371 418.334,1372 596.59,1373 398,1374 186,1375 463.214,1376 205.449,1377 464.196,1378 692.47,1379 440,1380 7.051}
{0 CHEMBL1940141,1 1.795,2 9.094,3 5.161,4 26.634,5 112.731,6 8.528,7 0.583,8 4.104,9 4.224,10 3.78,11 3.569,12 5.259,13 3.604,14 4.682,15 4.853,16 4.236,17 3.958,18 6.228,19 3.988,20 4.829,21 5.04,22 4.213,23 4.054,24 6.042,25 4.051,26 4.858,27 5.073,28 4.23,29 4.053,30 6.064,31 4.058,32 4.838,33 5.057,34 4.222,35 4.03,36 6.018,37 4.043,38 4.857,39 5.052,40 4.315,41 4.043,42 6.271,43 4.09,44 4.914,45 5.105,46 4.277,47 4.15,48 6.149,49 4.163,50 4.997,51 5.189,52 4.275,53 4.283,54 6.192,55 4.23,56 0.214,57 1.057,58 8.258,59 4.313,60 23.189,61 5.01,62 1.1,63 1.959,64 19.929,65 7.351,66 144.755,67 8.713,68 0.846,69 1.78,70 24.869,71 8.08,72 62.823,73 11.103,74 0.881,75 1.867,76 25.184,77 7.739,78 64.22,79 10.495,80 0.782,81 1.803,82 24.622,83 7.338,84 66.949,85 10.11,86 1.104,87 2.055,88 24.529,89 6.785,90 108.83,91 8.293,92 1.032,93 2.098,94 25.536,95 8.65,96 93.662,97 9.596,98 0.955,99 2.167,100 26.601,101 11.139,102 62.52,103 14.168,104 21,105 53,106 0.296,107 0.653,108 0.792,109 0.835,110 0.841,111 0.841,112 3.503,113 0.855,114 -5.54,115 -5.41,116 -5.05,119 40.4,120 1,121 1,125 4,132 1,142 5,143 2,146 1,149 1,150 2,151 1,152 2,166 1,172 6,174 7,175 5,180 3,183 6,186 3,187 6,192 2,195 5,198 3,199 12,204 1,207 1,211 4,212 11,215 2,224 12,232 2,236 2,237 8,240 3,245 5,249 1,250 3,253 1,258 6,263 4,268 2,271 4,275 1702,276 21.651,277 21.651,278 21.651,279 21.651,280 21.651,281 19.393,282 23.041,283 12.526,284 22.5,285 17.764,286 17.764,287 17.764,288 17.764,289 17.764,290 14.141,291 30.092,292 5.887,293 19.246,294 3.905,295 1.745,296 0.906,297 0.644,298 0.606,299 0.606,300 4.208,304 1,305 1,306 638,307 3.464,310 152.119,311 277.874,314 124.624,318 1.23,319 48.106,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 73,331 291,332 4.62,333 4.462,334 7.139,335 4.247,336 3.368,337 4.52,338 3.825,339 11.836,340 3.095,341 4.55,342 3.285,343 6.715,344 4.133,345 3.173,346 4.224,347 0.86,348 10.936,349 2.993,350 4.269,351 3.105,352 6.5,353 3.885,354 2.974,355 3.799,356 0.8,357 10.162,358 2.664,359 4.007,360 3.052,361 6.152,362 3.685,363 2.777,364 3.276,366 9.097,367 2.484,368 3.735,369 2.541,370 5.742,371 3.376,372 2.433,373 3.072,375 7.737,376 2.29,377 3.389,378 2.266,379 5.231,380 2.999,381 2.062,382 2.635,384 6.306,385 1.925,386 3.048,387 2.182,388 4.645,389 2.655,390 1.752,391 2.322,393 4.683,394 1.579,395 2.98,396 1.815,397 4.496,398 2.545,399 1.548,400 2.133,402 4.22,403 1.542,404 2.822,405 1.582,406 4.37,407 2.376,408 1.449,409 1.898,411 4.088,412 1.335,413 2.737,414 1.547,415 4.016,416 2.335,417 1.424,418 1.797,420 3.51,421 1.269,422 2.5,423 1.304,424 3.921,425 1.972,426 1.077,427 1.5,428 2.747,429 0.969,430 2.346,431 1.256,432 3.49,433 1.955,434 1,435 1.289,436 2.497,437 0.946,438 2.191,439 1,440 3.404,441 1.952,442 1,443 1.15,445 2.231,446 0.941,447 2,448 0.932,449 3.247,450 1.799,451 0.862,452 1,454 2.136,455 0.803,456 1.956,457 0.51,458 3.157,459 1.431,460 0.471,461 0.695,463 1.216,464 0.451,465 14.49,466 0.453,467 0.908,468 0.028,469 41.25,470 1.289,471 18.5,472 0.578,473 22.75,474 0.711,475 28.216,476 0.882,477 35.31,478 0.679,479 35.038,480 1.095,481 8.156,482 0.255,483 7.28,484 0.227,485 0.094,486 0.035,487 0.331,490 3,493 0.644,494 1.182,495 0.621,496 1.173,497 0.58,498 0.961,499 0.598,500 0.769,501 0.705,502 0.89,503 0.368,504 0.857,505 0.622,506 0.834,507 0.752,508 0.89,509 0.426,510 0.876,511 0.754,512 0.946,513 0.885,514 0.956,515 0.758,516 0.95,517 0.698,518 0.926,519 0.818,520 0.879,521 0.593,522 0.864,523 1.143,524 1.042,525 1.039,526 0.862,527 1.08,528 0.87,529 1.218,530 1.034,531 1.208,532 0.929,533 1.185,534 1.006,535 0.555,536 0.732,537 1.043,538 1.179,539 0.547,540 1.274,541 7,542 0.253,543 4,544 1.937,545 1.838,546 1.396,547 0.787,548 0.648,549 0.573,550 0.392,551 12796,552 41748,553 2.127,554 38.5,555 3,556 13,557 1,559 1,560 2,564 1.755,565 1.99,566 3.183,567 -0.248,573 93.339,574 1.795,575 3.956,576 4.794,577 5.056,578 5.094,579 5.094,580 2.432,581 4.476,582 4.973,583 3.375,584 1673.83,585 8.758,586 23847.1,591 296.423,592 1.54,593 4.926,594 0.194,595 0.01,596 0.075,597 0.037,598 0.035,599 0.026,600 0.014,601 0.012,602 0.011,603 0.009,604 0.422,605 0.17,606 0.75,607 0.781,608 163.774,609 -0.041,610 -0.194,611 0.053,612 -0.132,613 -0.082,614 -0.036,615 0.311,616 0.236,617 0.147,618 0.085,619 0.436,620 0.053,621 0.069,622 -0.019,623 0.13,624 0.057,625 0.117,626 0.094,627 -0.005,628 -0.037,629 0.002,630 -0.034,631 -0.06,632 -0.019,633 -0.027,634 -0.102,635 0.061,636 0.01,637 -0.036,638 0.06,639 -0.1,640 0.076,641 -0.14,642 0.045,643 -0.016,644 -0.024,645 -0.241,646 0.06,647 -0.333,648 0.027,649 -0.205,650 -0.119,651 0.117,652 0.168,653 -0.212,654 -0.159,655 0.059,656 -0.278,657 5.811,658 5.332,659 0.813,660 28.238,661 1.032,662 1.155,663 4.306,664 18.54,665 0.662,666 3.611,667 3.989,668 4.29,669 4.595,670 4.852,671 5.017,672 5.187,673 5.384,674 5.553,675 5.697,676 6.138,677 0.658,678 443.48,679 3.611,680 5.187,681 6.061,682 6.971,683 7.866,684 8.779,685 9.682,686 10.597,687 11.504,688 12.42,689 13.5,695 1,697 2,699 4,702 1,703 2,704 6,705 4,706 1,709 6,710 1,711 21,726 1,731 52,733 21,734 1,735 36,737 56,738 21,739 14,740 3,741 3,746 5,747 6,752 2,757 1,758 1,761 14,762 7,779 3,781 20,782 9,783 1,784 11,790 7,794 0.8,795 1,803 1,807 1,811 2,812 3,815 1,839 1,840 4,844 1,846 3,848 32,854 5,856 1,859 1,860 1,869 3,870 1.9,874 1,877 16.083,878 9.795,879 6.833,880 3.285,881 3.827,882 1.474,883 1.027,884 5.359,885 11.906,886 3.861,887 4.511,888 5.163,889 5.817,890 6.348,891 6.788,892 7.275,893 7.769,894 8.158,895 8.597,896 0.833,897 53,898 12.359,900 5.871,901 8.065,902 22.075,904 18.37,905 2.565,906 82.083,909 1,910 223.651,911 108.486,912 88.706,914 11,915 44.88,917 108.486,918 234.651,919 133.586,920 8.825,921 15.931,922 56.429,923 78.019,924 77.41,925 20.47,926 211.88,927 7.76,928 223.651,929 197.192,930 55.88,933 225.979,934 44.88,935 11,937 57.632,938 70.212,939 67.02,941 268.531,942 99.706,943 108.486,946 231.41,947 35.473,948 70.155,949 16.786,950 122.9,951 223.651,952 144.586,953 108.486,955 0.592,956 0.347,957 0.191,958 0.107,959 28,960 12,961 0.071,962 4,963 1,964 1.077,965 4.136,966 318.792,967 0.077,968 26,969 149.245,974 20.927,975 8.194,976 3.998,977 1.815,978 126.024,979 10.447,980 17.489,981 3.152,984 0.943,985 1.162,986 16.786,987 476.724,988 46.5,999 53.647,1000 60.038,1001 0.315,1002 0.694,1003 0.841,1004 0.887,1005 0.894,1006 0.894,1007 5.131,1008 1.548,1009 6.089,1010 4.683,1011 4.673,1012 5.198,1013 3.148,1014 6.973,1015 4.523,1016 6.366,1017 1.449,1018 7.697,1019 4.22,1020 4.443,1021 5.112,1022 3.911,1023 8.132,1024 4.142,1025 7.705,1026 1.424,1027 9.414,1028 4.088,1029 6.375,1030 7.467,1031 5.427,1032 11.194,1033 6.069,1034 9.082,1035 1.077,1036 11.196,1037 3.51,1038 6.967,1039 8.226,1040 6.69,1041 13.141,1042 6.52,1043 10.494,1044 1,1045 13.019,1046 2.747,1047 8.404,1048 10.058,1049 8.058,1050 15.766,1051 7.928,1052 11.929,1053 1,1054 14.869,1055 2.497,1056 9.334,1057 11.198,1058 9.389,1059 18.002,1060 8.742,1061 13.381,1062 0.862,1063 16.737,1064 2.231,1065 10.596,1066 12.821,1067 10.734,1068 20.491,1069 9.954,1070 3.368,1071 0.471,1072 18.62,1073 2.136,1074 11.668,1075 14.142,1076 12.074,1077 22.841,1078 10.929,1079 3.173,1080 11.836,1081 20.513,1082 1.216,1083 12.869,1084 15.679,1085 13.416,1086 25.289,1087 12.067,1088 2.974,1089 10.936,1090 22.414,1091 4.52,1092 14.001,1093 17.085,1094 14.758,1095 27.688,1096 13.113,1097 2.777,1098 10.162,1099 24.321,1100 4.224,1101 15.185,1102 18.588,1103 16.1,1104 30.127,1105 14.227,1106 2.433,1107 9.097,1108 26.234,1109 3.799,1110 16.344,1111 20.035,1112 17.441,1113 32.549,1114 15.306,1115 2.062,1116 7.737,1117 28.151,1118 3.276,1119 17.525,1120 21.526,1121 18.783,1122 34.988,1123 16.413,1124 1.752,1125 6.306,1126 30.073,1127 3.072,1128 18.698,1129 22.994,1130 20.124,1131 37.422,1132 17.508,1133 12041,1134 21997,1135 24.156,1136 34.398,1137 55.943,1138 55.172,1139 56.119,1140 55.686,1141 55.372,1142 71.348,1143 10.971,1144 167.744,1145 51.195,1146 5.62,1147 6.462,1148 6.941,1149 5.35,1150 5.368,1151 7.52,1152 5.335,1153 19.1,1154 5.095,1155 14.906,1156 1.554,1157 1.533,1158 1.559,1159 1.547,1160 1.538,1161 1.982,1162 0.305,1163 4.66,1164 1.422,1165 4.142,1166 4.181,1167 4.109,1168 4.047,1169 8.513,1170 4.056,1171 4,1172 4.054,1173 3.977,1174 3.811,1175 7.999,1176 3.844,1177 3.81,1178 3.869,1179 3.75,1180 3.589,1181 7.999,1182 3.619,1183 3.6,1184 3.656,1185 3.532,1186 3.383,1187 5.134,1188 3.411,1189 3.425,1190 3.496,1191 3.359,1192 3.236,1193 4.942,1194 3.238,1195 3.372,1196 3.43,1197 3.261,1198 3.201,1199 4.76,1200 3.206,1201 3.133,1202 3.209,1203 3.021,1204 2.941,1205 4.601,1206 2.91,1207 3.111,1208 3.206,1209 2.887,1210 2.846,1211 4.289,1212 2.874,1213 0.128,1214 0.124,1215 0.198,1216 0.118,1217 0.094,1218 4.62,1219 0.126,1220 4.462,1221 0.106,1222 7.139,1223 0.329,1224 4.247,1225 0.086,1226 3.368,1227 4.52,1228 3.825,1229 11.836,1230 3.095,1231 1.963,1232 1.94,1233 2.032,1234 2.084,1235 1.203,1236 2.061,1237 1.752,1238 1.695,1239 1.923,1240 1.967,1241 1.169,1242 1.957,1243 1.676,1244 1.624,1245 1.891,1246 1.876,1247 1.101,1248 1.873,1249 1.533,1250 1.478,1251 1.668,1252 1.771,1253 0.825,1254 1.743,1255 1.468,1256 1.411,1257 1.568,1258 1.702,1259 0.669,1260 1.673,1261 1.368,1262 1.31,1263 1.515,1264 1.623,1265 0.609,1266 1.589,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.535,1272 1.429,1273 1.049,1274 0.976,1275 1.225,1276 1.332,1277 0.302,1278 1.314,1279 4.29,1281 5.652,1282 3.045,1283 7.204,1284 5.352,1285 8.839,1286 7.434,1287 10.519,1289 1.763,1291 39.996,1295 2.522,1297 5.416,1300 1.94,1301 -4.561,1305 34.229,1306 93.339,1307 205.688,1308 249.303,1309 262.913,1310 264.913,1311 264.913,1312 56.766,1313 8.078,1314 84.75,1315 84.75,1316 28,1317 12.933,1318 4.459,1319 3.524,1320 45.178,1321 117,1322 108,1323 0.188,1324 204.047,1325 346.7,1326 489.635,1327 33612,1328 5.8,1329 22.294,1330 0.697,1331 0.538,1332 19.794,1333 17.225,1334 15.436,1335 0.429,1336 0.285,1337 10.013,1338 14.506,1339 9.902,1340 8.095,1341 14.225,1342 10.256,1343 14.702,1344 0.277,1345 0.139,1346 12.744,1347 7.387,1348 12.223,1349 0.17,1350 0.075,1351 11.234,1352 5.367,1353 10.459,1354 0.107,1355 0.038,1356 10.039,1357 3.738,1358 8.64,1359 0.068,1360 0.019,1361 8.14,1362 2.444,1363 0.285,1364 99.066,1365 0.203,1366 29.058,1367 0.551,1368 178,1369 718.272,1370 213.382,1371 607.342,1372 818.48,1373 568,1374 214,1375 602.746,1376 245.354,1377 583.363,1378 888.64,1379 550,1380 5.393}
{0 CHEMBL1940142,1 1.567,2 8.75,3 3.168,4 10.035,5 106.41,6 7.663,7 0.656,8 4.028,9 4.155,10 3.64,11 3.519,12 5.103,13 3.527,14 4.577,15 4.766,16 4.02,17 3.917,18 5.621,19 3.908,20 4.728,21 4.934,22 4.026,23 4.028,24 5.707,25 3.991,26 4.785,27 5.007,28 4.035,29 4.047,30 5.815,31 3.995,32 4.8,33 5.048,34 3.99,35 3.993,36 5.791,37 3.942,38 4.66,39 4.868,40 4.028,41 3.963,42 5.662,43 3.946,44 4.75,45 4.944,46 4.042,47 4.091,48 5.753,49 4.046,50 4.904,51 5.113,52 3.947,53 4.202,54 5.802,55 4.086,56 0.03,57 0.818,58 9.7,59 3.827,60 6.904,61 5.229,62 0.401,63 1.3,64 19.785,65 6.609,66 25.14,67 9.018,68 0.332,69 1.461,70 23.492,71 7.415,72 23.392,73 10.748,74 0.352,75 1.562,76 24.89,77 7.858,78 33.795,79 11.656,80 0.464,81 1.507,82 26.921,83 7.557,84 41.424,85 11.697,86 0.281,87 1.415,88 21.549,89 6.382,90 23.183,91 9.486,92 0.466,93 1.533,94 23.081,95 7.314,96 28.709,97 10.384,98 0.179,99 1.637,100 27.464,101 11.133,102 26.301,103 15.574,104 5,105 46,106 0.262,107 0.626,108 0.787,109 0.837,110 0.837,111 0.837,112 3.376,113 0.878,114 -4.72,115 -4.63,116 -4.35,119 40.8,120 2,125 4,142 3,143 3,145 1,149 1,150 2,151 2,152 1,161 1,172 6,174 8,175 4,180 3,183 6,186 1,187 4,192 3,195 6,198 5,199 9,204 1,207 3,211 2,212 8,215 2,223 2,224 11,232 1,236 2,237 6,240 3,245 2,250 7,258 2,262 1,263 4,266 1,268 1,271 1,275 1178,276 19.361,277 19.361,278 19.361,279 19.361,280 19.361,281 16.939,282 19.798,283 11.339,284 20.045,285 15.819,286 15.819,287 15.819,288 15.819,289 15.819,290 12.151,291 24.021,292 5.377,293 16.93,294 4.048,295 1.869,296 0.903,297 0.602,298 0.602,299 0.602,300 4.087,303 1,304 1,305 1,306 548,307 2.236,310 125.705,311 231.999,314 103.632,318 1.161,319 19.883,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 245,332 4.651,333 3.29,334 6.801,335 4.197,336 3.225,337 4.602,338 0.86,339 11.213,340 3.152,341 4.417,342 3.163,343 6.494,344 3.963,345 3.041,346 4.119,347 0.8,348 10.144,349 2.788,350 4.1,351 3.041,352 6.165,353 3.711,354 2.798,355 3.672,357 9.092,358 2.558,359 3.798,360 2.632,361 5.963,362 3.474,363 2.521,364 3.155,366 8.314,367 2.398,368 3.44,369 2.323,370 5.189,371 3.027,372 2.084,373 2.762,375 6.104,376 1.973,377 3.333,378 2.146,379 4.947,380 2.879,381 1.91,382 2.65,384 5.34,385 1.834,386 2.974,387 2.006,388 4.473,389 2.626,390 1.733,391 2.134,393 4.424,394 1.545,395 2.825,396 1.566,397 4.272,398 2.362,399 1.431,400 1.9,402 3.866,403 1.327,404 2.562,405 1.307,406 3.778,407 2.1,408 1.14,409 1.587,411 2.709,412 1.092,413 2.5,414 1.256,415 3.501,416 1.971,417 1.069,418 1.5,420 2.563,421 0.969,422 2.305,423 1.254,424 3.466,425 1.952,426 1,427 1.238,428 2.263,429 0.946,430 2.188,431 1,432 3.427,433 1.94,434 1,435 1.129,436 2.136,437 0.927,438 2.102,439 0.814,440 3.393,441 1.697,442 0.796,443 1,445 2.078,446 0.717,447 2,448 0.737,449 3.247,450 1.61,451 0.649,452 0.928,454 1.722,455 0.622,456 1.32,457 0.117,458 2.834,459 0.949,460 -0.03,461 -0.039,463 -0.074,464 -0.029,465 13.133,466 0.469,467 0.64,468 0.023,469 39,470 1.393,471 18.5,472 0.661,473 20.5,474 0.732,475 22.452,476 0.802,477 29.467,478 0.601,479 28.189,480 1.007,481 7.661,482 0.274,483 6.042,484 0.216,485 0.076,487 0.365,493 0.939,494 1.607,495 0.733,496 1.198,497 0.843,498 0.974,499 1.104,500 0.86,501 0.815,502 0.794,503 0.872,504 0.777,505 1.202,506 1.187,507 0.97,508 0.942,509 1.023,510 0.923,511 0.871,512 1.149,513 0.998,514 1.057,515 1.088,516 1.037,517 0.957,518 1.009,519 0.921,520 0.835,521 1.202,522 0.849,523 1.121,524 1.195,525 0.914,526 0.918,527 0.941,528 0.871,529 1.147,530 0.888,531 1.204,532 0.941,533 1.194,534 1.041,535 0.755,536 1.229,537 1.184,538 1.437,539 0.89,540 1.392,541 4.5,542 0.049,543 3.556,544 1.556,545 1.174,546 1.069,547 0.697,548 0.437,549 0.345,550 0.205,551 9284,552 22688,553 2.2,554 42.9,555 3,556 11,557 2,558 1,559 1,560 3,564 1.72,565 2.1,566 3.086,567 -0.288,568 1,569 1,573 76.792,574 1.567,575 3.746,576 4.711,577 5.012,578 5.012,579 5.012,580 2.405,581 4.084,582 4.781,583 3.245,584 1226.76,585 8.365,586 15819,588 1,590 1,591 275.121,592 1.264,593 4.757,594 0.141,595 0.006,596 0.077,597 0.034,598 0.026,599 0.025,600 0.015,601 0.009,602 0.009,603 0.008,604 0.35,605 0.33,606 0.88,607 0.444,608 136.85,609 -0.047,610 -0.408,611 0.088,612 -0.173,613 -0.037,614 -0.045,615 0.12,616 0.251,617 0.12,618 0.163,619 0.143,620 0.133,621 -0.147,622 -0.119,623 -0.032,624 0.027,625 -0.054,626 0.015,627 0.012,628 -0.066,629 -0.063,630 -0.112,631 -0.021,632 -0.103,633 0.03,634 0.024,635 0.065,636 0.089,637 -0.05,638 0.088,639 -0.12,640 -0.074,641 0.016,642 0.012,643 -0.008,644 0.036,645 -0.123,646 0.264,647 -0.3,649 -0.25,650 -0.142,651 -0.065,652 -0.234,653 -0.286,654 -0.373,655 -0.127,656 -0.365,657 1.092,658 1.986,659 0.929,660 21.847,661 1.005,662 1.135,663 3.488,664 12.167,665 0.67,666 3.497,667 3.85,668 4.19,669 4.5,670 4.71,671 4.868,672 5.075,673 5.268,674 5.389,675 5.481,676 5.597,677 0.644,678 375.48,679 3.497,680 5.056,681 5.938,682 6.836,683 7.732,684 8.637,685 9.54,686 10.448,687 11.353,688 12.264,689 14.3,695 1,697 2,699 4,702 1,703 2,704 6,705 4,706 1,709 6,710 1,711 21,726 1,731 49,733 21,734 1,735 32,737 53,738 20,739 14,740 4,741 2,746 5,747 6,752 2,761 14,762 6,777 1,778 1,781 21,782 6,783 1,784 8,787 1,790 7,794 0.8,795 1,807 1,811 2,812 3,815 1,839 1,840 4,844 2,848 28,854 4,856 1,859 1,870 2,874 1,877 13.333,878 9.617,879 6.028,880 2.979,881 3.698,882 1.474,883 1.036,884 4.342,885 11.504,886 3.773,887 4.431,888 5.106,889 5.764,890 6.268,891 6.718,892 7.226,893 7.719,894 8.078,895 8.477,896 0.833,897 46,898 10.318,900 4.411,901 7.548,902 20.01,904 16.619,905 2.048,906 57.333,909 1,910 235.422,911 106.16,912 88.951,914 11,917 106.16,918 246.422,919 88.951,920 17.65,921 13.396,922 46.524,923 92.241,924 42.128,925 29.485,926 200.109,928 235.422,929 195.111,930 11,933 237.75,935 11,937 64.905,938 60.736,939 67.142,941 235.422,942 99.951,943 106.16,946 235.422,947 32.938,948 78.245,949 16.786,950 78.142,951 235.422,952 99.951,953 106.16,955 0.586,956 0.356,957 0.2,958 0.102,959 25,960 10,961 0.057,962 3,963 1,964 1.077,965 3.915,966 265.847,967 0.077,968 26,969 130.606,974 17.352,975 7.006,976 3.103,977 2.207,978 81.266,979 11.815,980 18.666,981 3.314,984 4.908,985 1.887,986 16.786,987 441.533,988 42.5,999 49.225,1000 55.604,1001 0.279,1002 0.667,1003 0.839,1004 0.893,1005 0.893,1006 0.893,1007 5.019,1008 1.431,1009 5.927,1010 4.424,1011 4.533,1012 5.118,1013 1.235,1014 6.779,1015 4.407,1016 6.238,1017 1.14,1018 7.507,1019 3.866,1020 4.111,1021 4.956,1022 0.325,1023 7.743,1024 3.944,1025 7.56,1026 1.069,1027 9.19,1028 2.709,1029 6.159,1030 7.395,1031 0.938,1032 10.886,1033 5.923,1034 8.924,1035 1,1036 10.935,1037 2.563,1038 6.608,1039 8.136,1040 0.268,1041 12.691,1042 6.337,1043 10.325,1044 1,1045 12.72,1046 2.263,1047 8.092,1048 10,1049 0.732,1050 15.332,1051 7.762,1052 11.75,1053 0.796,1054 14.53,1055 2.136,1056 8.923,1057 11.149,1058 0.188,1059 17.465,1060 8.564,1061 13.195,1062 0.649,1063 16.359,1064 2.078,1065 10.191,1066 12.789,1067 0.57,1068 19.938,1069 9.784,1070 3.225,1071 -0.03,1072 18.201,1073 1.722,1074 11.194,1075 14.127,1076 0.125,1077 22.21,1078 10.76,1079 3.041,1080 11.213,1081 20.052,1082 -0.074,1083 12.378,1084 15.68,1085 0.438,1086 24.625,1087 11.907,1088 2.798,1089 10.144,1090 21.911,1091 4.602,1092 13.458,1093 17.107,1094 0.082,1095 26.96,1096 12.963,1097 2.521,1098 9.092,1099 23.776,1100 4.119,1101 14.613,1102 18.628,1103 0.334,1104 29.357,1105 14.088,1106 2.084,1107 8.314,1108 25.646,1109 3.672,1110 15.727,1111 20.097,1112 0.054,1113 31.723,1114 15.182,1115 1.91,1116 6.104,1117 27.52,1118 3.155,1119 16.873,1120 21.608,1121 0.252,1122 34.116,1123 16.304,1124 1.733,1125 5.34,1126 29.397,1127 2.762,1128 18.005,1129 23.098,1130 0.035,1131 36.498,1132 17.417,1133 8578,1134 13568,1135 22.076,1136 32.824,1137 49.203,1138 48.975,1139 49.734,1140 48.79,1141 48.79,1142 64.752,1143 3.32,1144 143.934,1145 45.696,1146 5.651,1147 5.29,1148 6.603,1149 5.301,1150 5.225,1151 7.602,1152 1.72,1153 18.628,1154 5.152,1155 9.601,1156 1.538,1157 1.53,1158 1.554,1159 1.525,1160 1.525,1161 2.024,1162 0.104,1163 4.498,1164 1.428,1165 4.15,1166 4.186,1167 4.117,1168 4.062,1169 5.134,1170 4.07,1171 3.974,1172 4.035,1173 3.941,1174 3.762,1175 4.942,1176 3.801,1177 3.793,1178 3.855,1179 3.715,1180 3.57,1181 4.825,1182 3.596,1183 3.575,1184 3.634,1185 3.503,1186 3.364,1187 4.604,1188 3.391,1189 3.423,1190 3.486,1191 3.308,1192 3.296,1193 4.302,1194 3.292,1195 3.146,1196 3.219,1197 3.024,1198 2.983,1199 4.013,1200 2.986,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.95,1206 2.91,1207 3.061,1208 3.163,1209 2.807,1210 2.878,1211 3.753,1212 2.847,1213 0.145,1214 0.103,1215 0.213,1216 0.131,1217 0.101,1218 4.651,1219 0.144,1220 3.29,1221 0.027,1222 6.801,1223 0.35,1224 4.197,1225 0.098,1226 3.225,1227 4.602,1228 0.86,1229 11.213,1230 3.152,1231 1.981,1232 1.959,1233 2.053,1234 2.091,1235 1.23,1236 2.073,1237 1.756,1238 1.697,1239 1.924,1240 1.98,1241 1.193,1242 1.967,1243 1.618,1244 1.558,1245 1.773,1246 1.863,1247 0.859,1248 1.84,1249 1.506,1250 1.447,1251 1.689,1252 1.707,1253 0.825,1254 1.704,1255 1.405,1256 1.337,1257 1.605,1258 1.625,1259 0.748,1260 1.626,1261 1.313,1262 1.253,1263 1.513,1264 1.529,1265 0.599,1266 1.522,1267 1.153,1268 1.064,1269 1.509,1270 1.376,1271 0.528,1272 1.429,1273 1.119,1274 1.03,1275 1.399,1276 1.371,1277 0.388,1278 1.402,1279 4.174,1281 5.517,1282 3.045,1283 7.059,1284 5.283,1285 8.692,1286 7.286,1287 10.374,1289 4.031,1295 2.874,1297 5.486,1300 2.146,1305 31.552,1306 76.792,1307 183.553,1308 230.856,1309 245.611,1310 245.611,1311 245.611,1312 31.194,1313 7.806,1314 84.75,1315 84.75,1316 28,1317 12.78,1318 4.459,1319 3.524,1320 37.244,1321 93,1322 90,1323 0.195,1324 190.86,1325 311.19,1326 457.458,1327 24214,1329 19.087,1330 0.682,1331 0.567,1332 19.087,1333 15.884,1334 13.704,1335 0.428,1336 0.293,1337 9.196,1338 13.048,1339 8.963,1340 7.392,1341 13.704,1342 9.367,1343 12.435,1344 0.27,1345 0.15,1346 12.435,1347 6.899,1348 11.133,1349 0.171,1350 0.079,1351 11.133,1352 5.119,1353 9.744,1354 0.109,1355 0.04,1356 9.744,1357 3.573,1358 7.53,1359 0.068,1360 0.02,1361 7.53,1362 2.238,1363 0.294,1364 86.466,1365 0.213,1366 25.986,1367 0.574,1368 156,1369 437.939,1370 174.087,1371 423.128,1372 602.9,1373 402,1374 189,1375 468.214,1376 208.282,1377 471.259,1378 701.03,1379 445,1380 5.959}
{0 CHEMBL1945559,1 1.735,2 7.583,3 2.232,4 4.983,5 93.426,6 9.082,7 0.37,8 3.818,9 3.929,10 3.554,11 3.425,12 4.927,13 3.403,14 4.409,15 4.569,16 4.029,17 3.912,18 5.436,19 3.869,20 4.754,21 4.935,22 4.341,23 4.176,24 5.826,25 4.105,26 4.897,27 5.099,28 4.295,29 4.226,30 6.009,31 4.142,32 4.866,33 5.072,34 4.135,35 4.093,36 6.124,37 4.007,38 4.665,39 4.867,40 4.017,41 3.866,42 6.065,43 3.774,44 4.362,45 4.58,46 3.716,47 3.586,48 5.594,49 3.437,50 4.163,51 4.443,52 3.24,53 3.273,54 5.079,55 3.026,56 0.067,57 0.605,58 5.808,59 3.289,60 11.268,61 4.068,62 0.226,63 1.037,64 13.966,65 6.208,66 25.645,67 7.915,68 0.469,69 1.374,70 27.887,71 9.345,72 51.633,73 11.814,74 0.424,75 1.528,76 30.068,77 11.335,78 53.595,79 14.64,80 0.603,81 1.405,82 32.687,83 10.539,84 102.237,85 12.629,86 0.665,87 1.115,88 28.921,89 8.478,90 114.897,91 10.178,92 0.459,93 0.8,94 21.82,95 6.514,96 70.776,97 8.138,98 0.306,99 0.562,100 25.137,101 6.621,102 41.969,103 8.857,104 27,105 42,106 0.306,107 0.687,108 0.811,109 0.829,110 0.829,111 0.829,112 3.232,113 0.961,114 -3.35,115 -3.33,116 -3.19,119 42.5,121 2,122 1,124 1,125 2,130 1,142 2,143 2,144 2,152 2,158 2,172 4,175 3,178 1,180 5,183 7,186 1,187 5,190 1,192 1,195 8,199 9,202 1,203 1,204 2,207 6,211 1,212 4,217 2,220 4,223 1,224 3,227 2,229 3,232 3,237 2,240 1,242 2,245 2,250 1,255 1,258 2,268 1,275 674,276 16.121,277 16.121,278 16.121,279 16.121,280 16.121,281 14.595,282 24.352,283 8.96,284 16.53,285 13.173,286 13.173,287 13.173,288 13.173,289 13.173,290 10.737,291 39.491,292 4.034,293 13.967,294 3.587,295 1.425,296 0.719,297 0.619,298 0.619,299 0.619,300 3.921,301 2,303 1,304 1,305 1,306 396,307 2.915,310 32.36,311 144.977,314 130.512,318 1.083,319 31.109,321 1,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 51.667,331 182,332 4.91,333 4.256,334 7.772,335 4.627,336 3.648,337 4.839,338 2.517,339 14.63,340 3.57,341 4.492,342 3.765,343 7.161,344 4.229,345 3.275,346 3.779,347 1.058,348 12.444,349 3.128,350 4.03,351 3.468,352 6.355,353 3.624,354 2.7,355 3.365,356 0.4,357 9.365,358 2.496,359 3.707,360 3.299,361 5.947,362 3.309,363 2.333,364 3.039,366 7.968,367 2.221,368 3.449,369 2.975,370 5.467,371 2.96,372 2.034,373 2.672,375 6.411,376 1.817,377 3.357,378 2.406,379 5.058,380 2.697,381 1.731,382 2.253,384 5.128,385 1.647,386 2.889,387 2.057,388 4.469,389 2.503,390 1.57,391 1.819,393 3.769,394 1.448,395 2.692,396 1.96,397 4.09,398 2.211,399 1.297,400 1.56,402 3.185,403 1.146,404 2.553,405 1.83,406 3.732,407 1.984,408 1,409 1.447,411 2.278,412 0.983,413 2,414 1.304,415 3.657,416 1.91,417 0.951,418 1,420 2.23,421 0.891,422 1.7,423 1.077,424 3.37,425 1.04,426 0.219,427 0.262,428 0.501,429 0.139,430 1.46,431 0.821,432 2.936,433 0.896,434 0.038,435 0.052,436 0.068,437 0.033,438 1,439 0.528,440 2.803,441 0.73,442 -0.246,443 -0.316,445 -0.595,446 -0.222,447 0.91,448 0.099,449 2.757,450 0.523,451 -0.394,452 -0.468,454 -0.963,455 -0.347,456 0.646,457 -0.038,458 2.604,459 0.295,460 -0.643,461 -0.757,463 -1.828,464 -0.551,465 11.862,466 0.494,467 0.759,468 0.032,469 28.75,470 1.198,471 12.5,472 0.521,473 16.25,474 0.677,475 23.828,476 0.993,477 25.338,478 0.633,479 21.001,480 0.875,481 5.242,482 0.218,483 6.257,484 0.261,485 0.224,486 0.042,487 0.371,493 0.681,494 1.272,495 0.529,496 0.835,497 0.469,498 0.804,499 0.691,500 1.057,501 0.564,502 0.733,503 0.449,504 0.756,505 0.723,506 0.959,507 0.659,508 0.828,509 0.677,510 0.867,511 0.752,512 1.08,513 0.714,514 0.992,515 0.797,516 0.977,517 1.394,518 1.038,519 0.954,520 0.959,521 1.79,522 1.007,523 1.259,524 1.049,525 1.084,526 1.067,527 1.592,528 1.089,529 0.972,530 1.017,531 1.158,532 1.167,533 1.155,534 1.238,535 0.827,536 0.936,537 1.352,538 1.181,539 0.441,540 1.145,541 5,542 0.012,543 3.778,544 3.486,545 2.738,546 1.556,547 0.71,548 0.309,549 0.123,550 0.046,551 5069,552 16609,553 2.074,554 40,556 9,559 2,560 1,562 4,564 1.681,565 1.882,566 2.877,567 0.337,568 1,569 1,573 69.39,574 1.735,575 3.896,576 4.603,577 4.703,578 4.703,579 4.703,580 2.37,581 4.137,582 4.558,583 2.961,584 817.118,585 7.928,586 8855.32,587 1,588 1,590 1,591 212.877,592 1.724,593 4.481,594 0.185,595 0.012,596 0.09,597 0.07,598 0.055,599 0.038,600 0.022,601 0.016,602 0.012,603 0.011,604 0.512,605 0.5,606 1,607 0.854,608 108.356,609 -0.074,610 -0.095,611 0.006,612 0.016,613 0.024,614 0.038,615 -0.006,616 0.06,617 0.069,618 0.148,619 0.048,620 0.136,621 0.08,622 0.091,623 0.123,624 0.098,625 0.017,626 0.066,627 0.053,628 -0.087,629 0.058,630 -0.05,631 0.028,632 -0.007,633 -0.235,634 -0.064,635 -0.097,636 -0.018,637 -0.249,638 -0.065,639 -0.002,640 -0.074,641 -0.093,642 -0.115,643 0.012,644 -0.154,645 0.059,646 -0.057,647 -0.065,648 -0.179,649 -0.015,650 -0.256,651 0.065,652 -0.16,653 0.025,654 -0.054,655 0.119,656 0.01,657 1.815,658 5.869,659 0.75,660 15.181,661 1.014,662 1.125,663 2.119,664 4.49,665 0.713,666 3.332,667 3.761,668 4.174,669 4.564,670 4.875,671 5.075,672 5.247,673 5.394,674 5.416,675 5.361,676 4.511,677 0.679,678 363.27,679 3.332,680 4.934,681 5.861,682 6.819,683 7.769,684 8.735,685 9.692,686 10.662,687 11.622,688 12.593,689 10,691 1,696 1,697 1,698 1,703 2,704 2,709 4,710 1,711 10,718 1,730 2,731 40,733 12,734 1,735 27,737 43,738 17,739 8,740 4,741 2,742 1,746 4,747 7,748 2,755 2,756 2,758 2,760 1,761 9,762 7,763 2,766 1,771 1,775 1,777 1,778 1,781 16,782 4,783 2,784 7,785 2,790 4,794 0.25,795 1,807 1,811 1,812 3,815 2,822 1,835 1,840 1,844 1,845 2,848 24,854 4,855 2,858 1,860 1,861 1,866 1,868 1,869 2,870 2.5,873 1,877 12.75,878 7.602,879 5.208,880 2.491,881 2.325,882 1.305,883 0.994,884 3.719,885 9.944,886 3.584,887 4.223,888 4.906,889 5.606,890 6.186,891 6.661,892 7.07,893 7.454,894 7.617,895 7.659,896 1,897 50,898 8.936,900 4.077,901 7.874,902 16.947,904 14.981,905 2.374,906 56.972,910 164.795,911 75.596,912 68.98,913 78.297,914 25.145,917 75.596,918 268.238,919 68.98,920 8.396,921 27.291,922 36.963,923 46.451,924 45.718,925 4.901,926 164.795,927 78.297,928 164.795,929 144.576,930 25.145,931 78.297,933 117.711,934 72.229,937 78.26,938 66.316,939 78.297,941 164.795,942 94.125,943 153.894,946 164.795,947 31.646,948 29.248,949 52.623,950 134.502,951 164.795,952 94.125,953 153.894,955 0.6,956 0.391,957 0.233,958 0.132,959 24,960 11,963 2,964 1.278,965 3.291,966 225.604,967 0.222,968 19,969 106.039,974 16.075,975 5.553,976 2.119,977 1.539,978 92.226,979 3.586,984 2.131,985 1.756,986 36.022,987 412.814,988 35,993 12.869,997 -0.149,999 40.567,1000 44.997,1001 0.326,1002 0.732,1003 0.865,1004 0.884,1005 0.884,1006 0.884,1007 4.909,1008 1.297,1009 5.927,1010 3.769,1011 4.443,1012 4.909,1013 2.787,1014 6.929,1015 4.339,1016 6.175,1017 1,1018 7.612,1019 3.185,1020 4.369,1021 5.017,1023 8.366,1024 4.214,1025 7.554,1026 0.951,1027 9.41,1028 2.278,1029 6.256,1030 7.23,1031 4.429,1032 11.535,1033 6.092,1034 8.97,1035 0.219,1036 11.274,1037 2.23,1038 7.004,1039 8.173,1041 13.774,1042 6.804,1043 10.421,1044 0.038,1045 13.181,1046 0.501,1047 8.442,1048 9.936,1049 6.239,1050 16.556,1051 8.231,1052 11.897,1053 -0.246,1054 15.117,1055 0.068,1056 9.515,1057 11.24,1059 19.07,1060 9.279,1061 13.392,1062 -0.394,1063 17.074,1064 -0.595,1065 10.822,1066 12.862,1067 8.078,1068 21.755,1069 10.571,1070 3.648,1071 -0.643,1072 19.047,1073 -0.963,1074 12.018,1075 14.32,1077 24.365,1078 11.745,1079 3.275,1080 14.63,1081 21.032,1082 -1.828,1083 13.291,1084 15.9,1085 9.923,1086 27.029,1087 13.001,1088 2.7,1089 12.444,1090 23.027,1091 4.839,1092 14.533,1093 17.423,1095 29.674,1096 14.224,1097 2.333,1098 9.365,1099 25.029,1100 3.779,1101 15.801,1102 18.994,1103 11.769,1104 32.337,1105 15.474,1106 2.034,1107 7.968,1108 27.038,1109 3.365,1110 17.062,1111 20.546,1113 34.997,1114 16.717,1115 1.731,1116 6.411,1117 29.052,1118 3.039,1119 18.334,1120 22.116,1121 13.615,1122 37.664,1123 17.97,1124 1.57,1125 5.128,1126 31.07,1127 2.672,1128 19.605,1129 23.68,1131 40.332,1132 19.222,1133 4948,1134 9058,1135 17.512,1136 28.523,1137 43.369,1138 46.706,1139 45.713,1140 41.655,1141 41.591,1142 52.174,1143 7.95,1144 135.954,1145 39.039,1146 5.91,1147 6.256,1148 7.504,1149 5.672,1150 5.648,1151 7.839,1152 5.034,1153 23.002,1154 5.57,1155 12.99,1156 1.606,1157 1.73,1158 1.693,1159 1.543,1160 1.54,1161 1.932,1162 0.294,1163 5.035,1164 1.446,1165 4.19,1166 4.216,1167 4.255,1168 4.11,1169 7.429,1170 4.118,1171 3.861,1172 3.914,1173 3.89,1174 3.741,1175 6.817,1176 3.74,1177 3.552,1178 3.591,1179 3.641,1180 3.423,1181 5.08,1182 3.424,1183 3.367,1184 3.441,1185 3.403,1186 3.171,1187 4.605,1188 3.189,1189 3.195,1190 3.248,1191 3.276,1192 2.941,1193 4.473,1194 2.959,1195 3.111,1196 3.206,1197 3.231,1198 2.916,1199 4.375,1200 2.91,1201 2.986,1202 3.032,1203 3.01,1204 2.888,1205 4.026,1206 2.877,1207 2.841,1208 2.901,1209 2.866,1210 2.667,1211 3.932,1212 2.634,1213 0.182,1214 0.158,1215 0.288,1216 0.171,1217 0.135,1218 4.91,1219 0.179,1220 4.256,1221 0.093,1222 7.772,1223 0.542,1224 4.627,1225 0.132,1226 3.648,1227 4.839,1228 2.517,1229 14.63,1230 3.57,1231 1.967,1232 1.948,1233 2.075,1234 2.082,1235 1.447,1236 2.082,1237 1.878,1238 1.842,1239 1.95,1240 1.994,1241 1.165,1242 1.991,1243 1.611,1244 1.557,1245 1.774,1246 1.814,1247 0.968,1248 1.808,1249 1.308,1250 1.243,1251 1.541,1252 1.529,1253 0.825,1254 1.54,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.672,1260 1.429,1261 1.063,1262 1.012,1263 1.202,1264 1.359,1265 0.379,1266 1.313,1267 0.944,1268 0.908,1269 1.16,1270 1.134,1271 0.203,1272 1.154,1273 0.784,1274 0.734,1275 0.968,1276 0.976,1277 0.053,1278 0.983,1279 4.007,1281 5.407,1282 2.398,1283 7.034,1284 4.949,1285 8.769,1286 7.261,1287 10.559,1289 1.789,1290 12.542,1295 3.026,1296 6.421,1299 -0.409,1301 -0.523,1303 9.944,1304 2.449,1305 27.143,1306 69.39,1307 155.858,1308 184.122,1309 188.122,1310 188.122,1311 188.122,1312 50.233,1313 7.619,1314 69.85,1315 69.85,1316 23,1317 13.071,1318 3.7,1319 3.17,1320 33.417,1321 65,1322 64,1323 0.269,1324 171.614,1325 296.15,1326 410.498,1327 17691,1328 5,1329 17.06,1330 0.711,1331 0.61,1332 18.06,1333 14.631,1334 11.499,1335 0.426,1336 0.32,1337 7.859,1338 10.607,1339 7.612,1340 6.199,1341 12.076,1342 8.647,1343 10.788,1344 0.257,1345 0.173,1346 11.492,1347 7.286,1348 10.033,1349 0.157,1350 0.096,1351 11.001,1352 6.123,1353 9.227,1354 0.097,1355 0.049,1356 9.781,1357 4.625,1358 7.692,1359 0.059,1360 0.026,1361 8.172,1362 3.382,1363 0.39,1364 77.778,1365 0.239,1366 22.14,1367 0.851,1368 138,1369 384.098,1370 178.136,1371 436.531,1372 576.98,1373 404,1374 175,1375 379.32,1376 214.576,1377 405.744,1378 608.93,1379 382,1380 5.041}
{0 CHEMBL1945796,1 1.537,2 10.56,3 3.207,4 10.285,5 94.968,6 7.201,7 0.429,8 3.956,9 4.081,10 3.498,11 3.483,12 5.005,13 3.463,14 4.527,15 4.706,16 3.865,17 3.914,18 5.544,19 3.857,20 4.82,21 5.057,22 3.908,23 4.039,24 5.765,25 3.944,26 4.85,27 5.115,28 3.777,29 3.945,30 5.83,31 3.838,32 4.695,33 4.957,34 3.734,35 3.819,36 5.657,37 3.746,38 4.545,39 4.755,40 3.71,41 3.763,42 5.61,43 3.717,44 4.535,45 4.747,46 3.618,47 3.726,48 5.657,49 3.662,50 4.477,51 4.715,52 3.362,53 3.619,54 5.525,55 3.507,56 0.029,57 0.719,58 10.153,59 4.211,60 7.953,61 5.746,62 0.272,63 1.189,64 19.454,65 7.494,66 23.874,67 10.489,68 0.224,69 1.451,70 27.736,71 9.997,72 32.075,73 14.543,74 0.411,75 1.395,76 30.134,77 9.289,78 62.095,79 14.089,80 0.287,81 1.218,82 25.705,83 7.628,84 38.148,85 11.593,86 0.268,87 1.125,88 21.112,89 6.125,90 35.544,91 9.021,92 0.319,93 1.09,94 20.986,95 6.093,96 45.816,97 8.955,98 0.315,99 0.954,100 20.381,101 6.488,102 46.765,103 9.349,104 6,105 39,106 0.264,107 0.61,108 0.748,109 0.808,110 0.828,111 0.828,112 3.267,113 0.954,114 -4.26,115 -4.2,116 -3.96,119 40.4,121 5,122 1,125 2,142 4,143 2,145 1,146 1,147 2,159 1,172 12,174 2,175 2,178 3,180 1,183 12,186 2,187 5,190 1,192 2,195 6,198 2,199 9,204 3,212 11,217 4,224 10,229 4,232 1,237 7,240 1,242 3,245 4,250 3,253 1,255 1,258 8,263 1,266 1,271 10,275 920,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 15.827,282 16.599,283 10.224,284 17.575,285 13.781,286 13.781,287 13.781,288 13.781,289 13.781,290 11.403,291 22.804,292 4.815,293 14.228,294 4.017,295 1.996,296 1.191,297 0.841,298 0.723,299 0.723,300 3.969,303 1,304 1,305 1,306 579,307 2.449,310 54.259,311 214.215,314 97.266,318 1.622,319 23.806,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 264,332 4.489,333 3.786,334 6.745,335 4.15,336 3.213,337 4.102,338 1.701,339 11.037,340 3.009,341 4.159,342 2.968,343 6.132,344 3.807,345 2.823,346 3.694,347 0.765,348 9.023,349 2.773,350 3.761,351 2.781,352 5.541,353 3.495,354 2.506,355 3.145,356 0.563,357 7.287,358 2.478,359 3.542,360 2.593,361 5.297,362 3.37,363 2.384,364 2.726,365 0.075,366 6.773,367 2.347,368 3.384,369 2.492,370 5.231,371 3.014,372 2.047,373 2.462,375 6.245,376 1.97,377 2.976,378 2.05,379 4.76,380 2.637,381 1.693,382 2.099,384 4.987,385 1.593,386 2.874,387 1.59,388 4.332,389 2.421,390 1.44,391 2.018,393 3.963,394 1.406,395 2.5,396 1.456,397 3.72,398 2.392,399 1.416,400 1.5,402 3.125,403 1.377,404 2.5,405 1.041,406 3.485,407 2,408 1,409 1.496,411 2.275,412 1,413 2.073,414 1.018,415 3.414,416 2,417 1,418 1,420 2.136,421 1,422 2,423 1,424 3.247,425 1.744,426 0.816,427 0.986,428 2.13,429 0.753,430 1.675,431 1,432 2.914,433 1.412,434 0.508,435 0.571,436 0.807,437 0.452,438 1.335,439 0.616,440 2.781,441 1.006,442 0.053,443 0.061,445 0.129,446 0.05,447 0.826,448 -0.012,449 2.483,450 0.579,451 -0.397,452 -0.458,454 -0.889,455 -0.381,456 0.786,457 -0.227,458 2.351,459 0.419,460 -0.576,461 -0.727,463 -1.267,464 -0.569,465 11.767,466 0.471,467 0.516,468 0.021,469 31.25,470 1.25,471 14.5,472 0.58,473 16.75,474 0.67,475 21.01,476 0.84,477 27.233,478 0.579,479 20.995,480 0.84,481 5.57,482 0.223,483 6.671,484 0.267,485 0.057,487 0.331,493 0.833,494 1.387,495 0.817,496 1.103,497 0.691,498 0.979,499 0.614,500 1.093,501 0.902,502 1.062,503 0.6,504 1.037,505 0.635,506 1.141,507 0.864,508 1.112,509 0.598,510 1.038,511 0.926,512 0.998,513 0.932,514 0.917,515 0.828,516 0.918,517 1.09,518 0.946,519 0.838,520 0.783,521 0.972,522 0.759,523 1.497,524 1.141,525 1.146,526 0.953,527 1.477,528 0.973,529 1.47,530 1.091,531 1.279,532 1.04,533 1.396,534 1.097,535 1.301,536 0.914,537 1.236,538 1.015,539 1.368,540 1.095,541 4.5,542 0.086,543 2.667,544 1.514,545 1.142,546 0.983,547 0.487,548 0.314,549 0.215,550 0.096,551 7321,552 17238,553 2.154,554 46.8,555 10,556 8,558 1,559 2,561 1,564 1.681,565 2.055,566 3.371,567 0.273,568 1,569 1,573 72.248,574 1.537,575 3.558,576 4.364,577 4.714,578 4.831,579 4.831,580 2.889,581 4.134,582 4.611,583 3.48,584 1044.05,585 7.982,586 12452.3,588 1,590 1,591 261.066,592 1.26,593 4.592,594 0.161,595 0.007,596 0.068,597 0.039,598 0.035,599 0.03,600 0.015,601 0.011,602 0.01,603 0.006,604 0.381,605 0.17,606 1,607 0.663,608 120.104,609 -0.069,610 -0.166,611 0.047,612 -0.009,613 -0.037,614 0.027,615 0.185,616 0.046,617 0.004,618 -0.025,619 0.063,620 -0.047,621 0.106,622 -0.131,623 0.079,624 -0.108,625 0.086,626 -0.037,627 0.03,628 -0.034,629 0.064,630 0.028,631 0.064,632 0.048,633 -0.082,634 0.039,635 0.166,636 0.151,637 -0.031,638 0.196,639 -0.274,640 -0.039,641 -0.158,642 -0.022,643 -0.212,644 -0.059,645 -0.232,646 0.009,647 -0.29,648 -0.115,649 -0.134,650 -0.188,651 -0.168,652 0.08,653 -0.244,654 -0.058,655 -0.128,656 -0.142,657 1.798,658 5.343,659 0.84,660 22.736,661 1,662 1.131,663 3.029,664 9.176,665 0.655,666 3.367,667 3.689,668 3.989,669 4.263,670 4.522,671 4.605,672 4.787,673 4.927,674 5.004,675 5.094,676 6.007,677 0.622,678 338.45,679 3.367,680 4.905,681 5.765,682 6.645,683 7.525,684 8.413,685 9.302,686 10.196,687 11.091,688 11.989,689 8.5,696 2,699 2,704 5,705 2,709 5,711 12,731 47,733 13,734 1,735 28,737 50,738 19,739 10,740 2,741 4,746 4,747 5,751 1,752 1,755 5,756 1,758 5,761 11,762 8,763 1,766 1,771 1,775 1,777 1,778 1,781 22,782 6,783 2,784 6,790 4,794 0.75,795 2,796 1,802 1,811 1,812 3,815 1,838 1,840 3,848 25,853 1,854 7,855 1,858 1,859 1,870 4.3,871 1,873 1,877 12.167,878 8.217,879 5.528,880 3.072,881 2.303,882 1.306,883 0.974,884 4.581,885 9.827,886 3.584,887 4.127,888 4.677,889 5.232,890 5.795,891 6.065,892 6.502,893 6.874,894 7.181,895 7.502,896 1,897 39,898 9.288,900 4.029,901 7.713,902 18.045,904 15.388,905 2.213,906 55.333,909 1,910 235.422,911 79.79,912 54.706,914 67.828,917 79.79,918 303.25,919 54.706,921 35.913,922 80.588,923 70.487,924 18.175,925 8.932,926 223.651,928 235.422,929 134.496,930 67.828,933 223.651,934 36.916,935 42.683,937 47.718,938 53.208,939 33.571,941 235.422,942 122.534,943 79.79,946 235.422,947 32.838,948 50.077,949 18.011,950 101.399,951 235.422,952 122.534,953 79.79,955 0.577,956 0.344,957 0.185,958 0.104,959 20,960 8,961 0.08,962 4,963 1,964 1.095,965 3.766,966 212,967 0.095,968 21,969 108.096,974 16.345,975 7.007,976 3.337,978 122.534,979 9.243,980 9.08,984 3.669,986 60.694,987 437.747,988 35,993 12.343,997 -0.131,999 47.014,1000 53.149,1001 0.277,1002 0.641,1003 0.786,1004 0.849,1005 0.87,1006 0.87,1007 4.828,1008 1.416,1009 5.74,1010 3.963,1011 4.369,1012 4.812,1013 2.029,1014 6.55,1015 4.303,1016 6,1017 1,1018 7.294,1019 3.125,1020 3.892,1021 4.527,1022 1.305,1023 7.434,1024 3.792,1025 7.292,1026 1,1027 8.947,1028 2.275,1029 5.958,1030 6.912,1031 2.565,1032 10.545,1033 5.814,1034 8.618,1035 0.816,1036 10.661,1037 2.136,1038 6.33,1039 7.453,1040 2.473,1041 12.294,1042 6.13,1043 9.98,1044 0.508,1045 12.414,1046 2.13,1047 7.84,1048 9.319,1049 3.401,1050 14.915,1051 7.602,1052 11.365,1053 0.053,1054 14.194,1055 0.807,1056 8.613,1057 10.252,1058 3.608,1059 17.033,1060 8.304,1061 12.768,1062 -0.397,1063 15.995,1064 0.129,1065 9.895,1066 11.889,1067 4.361,1068 19.493,1069 9.544,1070 3.213,1071 -0.576,1072 17.813,1073 -0.889,1074 10.865,1075 13.027,1076 4.717,1077 21.77,1078 10.436,1079 2.823,1080 11.037,1081 19.644,1082 -1.267,1083 12.056,1084 14.55,1085 5.373,1086 24.178,1087 11.576,1088 2.506,1089 9.023,1090 21.486,1091 4.102,1092 13.12,1093 15.801,1094 5.808,1095 26.522,1096 12.562,1097 2.384,1098 7.287,1099 23.337,1100 3.694,1101 14.279,1102 17.265,1103 6.409,1104 28.916,1105 13.662,1106 2.047,1107 6.773,1108 25.195,1109 3.145,1110 15.388,1111 18.58,1112 6.887,1113 31.289,1114 14.695,1115 1.693,1116 6.245,1117 27.06,1118 2.726,1119 16.539,1120 20.013,1121 7.458,1122 33.681,1123 15.78,1124 1.44,1125 4.987,1126 28.931,1127 2.462,1128 17.671,1129 21.364,1130 7.96,1131 36.067,1132 16.837,1133 6928,1134 10793,1135 19.186,1136 30.784,1137 42.035,1138 43.268,1139 42.783,1140 41.732,1141 41.794,1142 51.72,1143 6.209,1144 119.831,1145 40.42,1146 5.489,1147 5.786,1148 6.547,1149 5.22,1150 5.213,1151 7.102,1152 2.972,1153 17.973,1154 5.009,1155 9.138,1156 1.501,1157 1.545,1158 1.528,1159 1.49,1160 1.493,1161 1.847,1162 0.222,1163 4.28,1164 1.444,1165 4.032,1166 4.076,1167 3.995,1168 3.924,1169 7.43,1170 3.931,1171 3.889,1172 3.934,1173 3.804,1174 3.786,1175 6.457,1176 3.777,1177 3.799,1178 3.848,1179 3.696,1180 3.638,1181 4.993,1182 3.659,1183 3.424,1184 3.474,1185 3.352,1186 3.238,1187 4.645,1188 3.254,1189 3.229,1190 3.296,1191 3.068,1192 3.053,1193 4.283,1194 3.046,1195 3.122,1196 3.206,1197 2.986,1198 2.941,1199 4.029,1200 2.91,1201 3.111,1202 3.172,1203 2.866,1204 2.866,1205 3.985,1206 2.889,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.16,1214 0.135,1215 0.241,1216 0.148,1217 0.115,1218 4.489,1219 0.147,1220 3.786,1221 0.061,1222 6.745,1223 0.394,1224 4.15,1225 0.107,1226 3.213,1227 4.102,1228 1.701,1229 11.037,1230 3.009,1231 1.95,1232 1.925,1233 2.113,1234 2.055,1235 1.514,1236 2.07,1237 1.892,1238 1.838,1239 2.043,1240 2.023,1241 1.166,1242 2.036,1243 1.654,1244 1.609,1245 1.74,1246 1.835,1247 0.996,1248 1.813,1249 1.405,1250 1.342,1251 1.632,1252 1.682,1253 0.825,1254 1.654,1255 1.19,1256 1.144,1257 1.513,1258 1.454,1259 0.769,1260 1.445,1261 1.153,1262 1.064,1263 1.42,1264 1.376,1265 0.545,1266 1.429,1267 1.091,1268 1.036,1269 1.303,1270 1.366,1271 0.458,1272 1.364,1273 0.886,1274 0.821,1275 1.181,1276 1.088,1277 0.218,1278 1.111,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.844,1285 8.489,1286 7.018,1287 10.14,1294 9.165,1295 6.868,1296 2.814,1299 0.541,1300 1.74,1305 29.256,1306 72.248,1307 167.243,1308 205.092,1309 221.556,1310 227.066,1311 227.066,1312 39.485,1313 7.525,1314 83.8,1315 83.8,1316 23,1317 12.513,1318 3.807,1319 3,1320 35.889,1321 88,1322 104,1323 0.199,1324 178.129,1325 309.12,1326 426.395,1327 18520,1329 17.225,1330 0.689,1331 0.564,1332 17.225,1333 14.111,1334 12.242,1335 0.437,1336 0.318,1337 8.792,1338 11.822,1339 8.648,1340 7.152,1341 12.242,1342 8.901,1343 10.803,1344 0.277,1345 0.175,1346 10.803,1347 6.827,1348 9.51,1349 0.179,1350 0.096,1351 9.51,1352 5.078,1353 7.904,1354 0.113,1355 0.052,1356 7.904,1357 3.638,1358 6.604,1359 0.073,1360 0.029,1361 6.604,1362 2.648,1363 0.309,1364 76.542,1365 0.228,1366 24.194,1367 0.555,1368 134,1369 363.153,1370 146.507,1371 351.475,1372 484.71,1373 330,1374 159,1375 359.208,1376 172.453,1377 363.741,1378 538.56,1379 343,1380 4.523}
{0 CHEMBL1945797,1 1.613,2 10.692,3 3.416,4 11.668,5 94.911,6 7.662,7 0.414,8 3.946,9 4.06,10 3.533,11 3.474,12 5.07,13 3.469,14 4.503,15 4.668,16 3.92,17 3.902,18 5.683,19 3.862,20 4.807,21 5.032,22 3.956,23 4.026,24 5.843,25 3.953,26 4.833,27 5.083,28 3.833,29 3.928,30 5.916,31 3.848,32 4.68,33 4.928,34 3.766,35 3.807,36 5.72,37 3.753,38 4.539,39 4.744,40 3.738,41 3.756,42 5.643,43 3.722,44 4.522,45 4.723,46 3.683,47 3.714,48 5.743,49 3.67,50 4.458,51 4.677,52 3.449,53 3.603,54 5.634,55 3.519,56 0.069,57 0.704,58 8.992,59 4.042,60 11.745,61 5.177,62 0.368,63 1.165,64 17.503,65 7.179,66 44.563,67 9.697,68 0.338,69 1.431,70 26.653,71 9.734,72 47.485,73 13.706,74 0.55,75 1.374,76 29.428,77 9.007,78 78.76,79 13.116,80 0.423,81 1.205,82 25.126,83 7.444,84 57.031,85 10.817,86 0.357,87 1.119,88 20.139,89 6.06,90 47.23,91 8.461,92 0.423,93 1.074,94 19.767,95 6.005,96 55.431,97 8.312,98 0.429,99 0.932,100 19.467,101 6.314,102 61.001,103 8.623,104 11,105 41,106 0.276,107 0.622,108 0.731,109 0.792,110 0.828,111 0.828,112 3.304,113 0.922,114 -4.5,115 -4.43,116 -4.17,119 41.3,121 5,122 1,125 1,142 4,143 2,145 1,146 1,147 2,158 1,159 1,167 1,170 1,172 12,173 1,174 2,175 3,178 4,180 1,183 12,184 2,186 2,187 7,190 1,192 2,195 6,196 2,198 2,199 11,204 3,208 1,212 12,217 4,224 10,225 1,229 4,232 1,236 1,237 7,238 1,240 1,242 3,245 4,249 1,250 3,251 1,253 1,255 1,258 8,262 1,263 1,266 1,269 1,271 10,275 1012,276 17.654,277 17.654,278 17.654,279 17.654,280 17.654,281 16.02,282 14.16,283 10.361,284 17.897,285 14.321,286 14.321,287 14.321,288 14.321,289 14.321,290 11.743,291 19.061,292 4.935,293 14.73,294 3.911,295 1.898,296 1.26,297 0.902,298 0.696,299 0.696,300 4.003,303 1,304 1,305 1,306 606,307 2.828,310 57.977,311 226.703,314 103.599,318 1.692,319 31.164,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 278,332 4.49,333 3.786,334 6.745,335 4.15,336 3.213,337 4.106,338 1.701,339 11.037,340 3.011,341 4.213,342 3.576,343 6.146,344 3.853,345 2.862,346 3.768,347 1.437,348 9.053,349 2.827,350 3.951,351 2.947,352 5.888,353 3.616,354 2.627,355 3.33,356 0.563,357 8.071,358 2.589,359 3.571,360 2.673,361 5.537,362 3.474,363 2.482,364 2.78,365 0.075,366 7.268,367 2.46,368 3.406,369 2.526,370 5.236,371 3.036,372 2.068,373 2.473,375 6.264,376 1.992,377 3.067,378 2.062,379 4.764,380 2.654,381 1.711,382 2.245,384 5.011,385 1.607,386 2.965,387 2.03,388 4.402,389 2.541,390 1.549,391 2.08,393 4.162,394 1.524,395 2.625,396 1.468,397 3.73,398 2.416,399 1.436,400 1.601,402 3.125,403 1.401,404 2.5,405 1.4,406 3.718,407 2.098,408 1.102,409 1.5,411 2.734,412 1.083,413 2.5,414 1.029,415 3.485,416 2,417 1,418 1.494,420 2.275,421 1,422 2.069,423 1,424 3.414,425 2,426 1,427 1,428 2.136,429 1,430 2,431 1,432 3.247,433 1.736,434 0.806,435 0.978,436 2.123,437 0.746,438 1.374,439 0.632,440 2.868,441 1.031,442 0.068,443 0.079,445 0.176,446 0.065,447 0.947,448 0.443,449 2.612,450 0.614,451 -0.372,452 -0.438,454 -0.928,455 -0.363,456 0.787,457 -0.016,458 2.373,459 0.465,460 -0.559,461 -0.716,463 -1.322,464 -0.561,465 12.1,466 0.465,467 0.644,468 0.025,469 33.5,470 1.288,471 16,472 0.615,473 17.5,474 0.673,475 21.19,476 0.815,477 28.1,478 0.611,479 23.775,480 0.914,481 6.063,482 0.233,483 6.551,484 0.252,485 0.083,487 0.364,493 0.763,494 1.364,495 0.756,496 1.078,497 0.618,498 0.939,499 0.395,500 1.098,501 0.81,502 1.074,503 0.362,504 1.032,505 0.645,506 1.128,507 0.845,508 1.103,509 0.591,510 1.029,511 0.938,512 0.991,513 0.947,514 0.909,515 0.828,516 0.919,517 1.056,518 0.946,519 0.878,520 0.785,521 0.923,522 0.778,523 1.242,524 1.121,525 1.105,526 0.94,527 1.098,528 0.962,529 1.199,530 1.08,531 1.198,532 1.034,533 1.065,534 1.08,535 1.161,536 0.912,537 1.203,538 1.02,539 1.186,540 1.099,541 5,542 0.122,543 3.111,544 1.764,545 1.182,546 1.046,547 0.568,548 0.346,549 0.227,550 0.147,551 8136,552 22214,553 2.124,554 43.5,555 10,556 6,558 1,559 2,561 1,564 1.691,565 2,566 3.397,567 0.289,569 1,573 74.18,574 1.613,575 3.625,576 4.263,577 4.621,578 4.828,579 4.828,580 2.907,581 4.316,582 4.668,583 3.539,584 1150.29,585 8.093,586 14194.4,588 1,590 1,591 254.084,592 1.37,593 4.637,594 0.172,595 0.008,596 0.076,597 0.043,598 0.034,599 0.031,600 0.017,601 0.012,602 0.01,603 0.008,604 0.41,605 0.17,606 1,607 0.721,608 126.942,609 -0.079,610 -0.164,611 0.035,612 -0.008,613 -0.033,614 0.027,615 0.293,616 0.038,617 0.043,618 -0.047,619 0.215,620 -0.059,621 0.072,622 -0.125,623 0.092,624 -0.102,625 0.072,626 -0.023,627 -0.018,628 -0.027,629 0.058,630 0.038,631 0.028,632 0.06,633 -0.12,634 0.041,635 0.127,636 0.152,637 -0.066,638 0.19,639 -0.248,640 -0.029,641 -0.153,642 -0.011,643 -0.167,644 -0.046,645 -0.144,646 0.008,647 -0.241,648 -0.108,649 -0.057,650 -0.171,651 -0.102,652 0.075,653 -0.219,654 -0.059,655 -0.084,656 -0.141,657 2.634,658 5.342,659 0.808,660 24.456,661 1.01,662 1.129,663 3.273,664 10.71,665 0.663,666 3.401,667 3.738,668 4.025,669 4.29,670 4.543,671 4.644,672 4.836,673 4.956,674 5.043,675 5.165,676 6.25,677 0.64,678 352.43,679 3.401,680 4.949,681 5.808,682 6.691,683 7.57,684 8.46,685 9.348,686 10.242,687 11.136,688 12.034,689 8.7,696 2,699 2,704 5,705 2,709 5,711 12,720 1,731 46,733 14,734 1,735 29,737 49,738 19,739 10,740 2,741 4,742 1,746 4,747 5,751 1,755 5,756 1,758 5,761 12,762 7,763 1,766 2,771 2,775 2,777 1,778 1,781 20,782 7,783 2,784 7,790 4,794 0.75,795 3,802 1,811 1,812 3,815 1,838 1,840 3,848 26,853 1,854 6,855 1,858 1,859 1,870 6.5,872 1,873 2,877 13,878 8.133,879 5.639,880 3.001,881 2.414,882 1.317,883 0.974,884 4.601,885 10.028,886 3.638,887 4.19,888 4.732,889 5.279,890 5.836,891 6.141,892 6.603,893 6.935,894 7.269,895 7.65,896 1,897 41,898 9.657,900 4.249,901 7.904,902 18.381,904 15.631,905 2.404,906 62.5,909 1,910 211.88,911 80.7,912 54.706,914 92.973,917 80.7,918 304.853,919 54.706,921 35.913,922 37.905,923 139.225,924 18.175,925 8.932,926 200.109,928 211.88,929 135.406,930 92.973,933 200.109,934 104.744,937 47.718,938 54.118,939 33.571,941 211.88,942 147.679,943 80.7,946 211.88,947 33.748,948 50.077,949 18.011,950 126.544,951 211.88,952 147.679,953 80.7,955 0.586,956 0.342,957 0.18,958 0.1,959 21,960 9,961 0.082,962 4,963 1,964 1.095,965 3.824,966 223.558,967 0.095,968 21,969 114.211,974 16.984,975 7.044,976 3.454,978 147.679,979 8.079,980 8.962,984 2.642,986 60.694,987 440.259,988 37,993 23.332,997 -1.144,999 46.458,1000 51.943,1001 0.292,1002 0.656,1003 0.772,1004 0.837,1005 0.874,1006 0.874,1007 4.89,1008 1.436,1009 5.796,1010 4.162,1011 4.419,1012 4.875,1013 2.358,1014 6.613,1015 4.36,1016 6.076,1017 1.102,1018 7.359,1019 3.125,1020 4.007,1021 4.649,1022 1.305,1023 7.519,1024 3.914,1025 7.376,1026 1,1027 9.023,1028 2.734,1029 6.019,1030 6.981,1031 3.037,1032 10.62,1033 5.889,1034 8.708,1035 1,1036 10.744,1037 2.275,1038 6.431,1039 7.565,1040 2.473,1041 12.372,1042 6.252,1043 10.074,1044 0.806,1045 12.504,1046 2.136,1047 7.914,1048 9.399,1049 3.854,1050 14.984,1051 7.7,1052 11.462,1053 0.068,1054 14.289,1055 2.123,1056 8.708,1057 10.36,1058 3.608,1059 17.094,1060 8.432,1061 12.869,1062 -0.372,1063 16.093,1064 0.176,1065 9.976,1066 11.977,1067 4.74,1068 19.545,1069 9.66,1070 3.213,1071 -0.559,1072 17.912,1073 -0.928,1074 10.952,1075 13.131,1076 4.717,1077 21.812,1078 10.568,1079 2.862,1080 11.037,1081 19.742,1082 -1.322,1083 12.134,1084 14.641,1085 5.671,1086 24.213,1087 11.702,1088 2.627,1089 9.053,1090 21.582,1091 4.106,1092 13.197,1093 15.901,1094 5.808,1095 26.549,1096 12.694,1097 2.482,1098 8.071,1099 23.43,1100 3.768,1101 14.349,1102 17.356,1103 6.636,1104 28.938,1105 13.79,1106 2.068,1107 7.268,1108 25.285,1109 3.33,1110 15.455,1111 18.674,1112 6.887,1113 31.306,1114 14.824,1115 1.711,1116 6.264,1117 27.145,1118 2.78,1119 16.6,1120 20.101,1121 7.627,1122 33.695,1123 15.906,1124 1.549,1125 5.011,1126 29.011,1127 2.473,1128 17.728,1129 21.453,1130 7.96,1131 36.077,1132 16.962,1133 7734,1134 12981,1135 19.592,1136 30.478,1137 44.29,1138 45.748,1139 44.844,1140 43.838,1141 43.851,1142 54.871,1143 7.553,1144 126.87,1145 42.61,1146 5.49,1147 5.786,1148 6.547,1149 5.221,1150 5.213,1151 7.106,1152 3.138,1153 17.973,1154 5.011,1155 11.543,1156 1.527,1157 1.578,1158 1.546,1159 1.512,1160 1.512,1161 1.892,1162 0.26,1163 4.375,1164 1.469,1165 4.033,1166 4.075,1167 3.997,1168 3.923,1169 7.475,1170 3.932,1171 3.891,1172 3.933,1173 3.816,1174 3.786,1175 7.43,1176 3.778,1177 3.801,1178 3.846,1179 3.699,1180 3.637,1181 6.351,1182 3.661,1183 3.433,1184 3.471,1185 3.384,1186 3.237,1187 4.992,1188 3.261,1189 3.246,1190 3.29,1191 3.154,1192 3.051,1193 4.633,1194 3.057,1195 3.141,1196 3.206,1197 3.016,1198 2.941,1199 4.283,1200 2.91,1201 3.111,1202 3.162,1203 2.866,1204 2.862,1205 4.027,1206 2.91,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.98,1212 2.715,1213 0.155,1214 0.131,1215 0.233,1216 0.143,1217 0.111,1218 4.49,1219 0.142,1220 3.786,1221 0.059,1222 6.745,1223 0.381,1224 4.15,1225 0.104,1226 3.213,1227 4.106,1228 1.701,1229 11.037,1230 3.011,1231 1.946,1232 1.923,1233 2.113,1234 2.054,1235 1.514,1236 2.07,1237 1.891,1238 1.838,1239 2.027,1240 2.022,1241 1.126,1242 2.029,1243 1.649,1244 1.607,1245 1.726,1246 1.83,1247 0.994,1248 1.803,1249 1.404,1250 1.342,1251 1.626,1252 1.682,1253 0.825,1254 1.653,1255 1.153,1256 1.133,1257 1.513,1258 1.434,1259 0.715,1260 1.429,1261 1.153,1262 1.064,1263 1.308,1264 1.376,1265 0.482,1266 1.4,1267 1.069,1268 1.032,1269 1.216,1270 1.356,1271 0.263,1272 1.312,1273 0.886,1274 0.821,1275 1.181,1276 1.087,1277 0.218,1278 1.107,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.844,1285 8.541,1286 7.018,1287 10.193,1294 9.012,1295 6.652,1296 2.775,1299 0.501,1300 1.688,1305 29.444,1306 74.18,1307 166.759,1308 196.11,1309 212.574,1310 222.084,1311 222.084,1312 46.661,1313 7.614,1314 100.87,1315 100.87,1316 23,1317 12.559,1318 3.907,1319 3.17,1320 38.037,1321 96,1322 98,1323 0.194,1324 179.198,1325 315.27,1326 429.003,1327 20739,1329 18.096,1330 0.696,1331 0.55,1332 18.096,1333 14.312,1334 12.614,1335 0.435,1336 0.307,1337 8.793,1338 12.136,1339 8.666,1340 7.16,1341 12.614,1342 8.909,1343 11.533,1344 0.281,1345 0.167,1346 11.533,1347 6.855,1348 9.8,1349 0.178,1350 0.092,1351 9.8,1352 5.073,1353 8.12,1354 0.113,1355 0.051,1356 8.12,1357 3.641,1358 6.698,1359 0.072,1360 0.028,1361 6.698,1362 2.629,1363 0.303,1364 79.225,1365 0.226,1366 25.056,1367 0.537,1368 140,1369 422.889,1370 155.496,1371 406.834,1372 551.59,1373 378,1374 166,1375 406.359,1376 181.446,1377 408.818,1378 603.44,1379 385,1380 4.629}
{0 CHEMBL1945799,1 1.585,2 10.692,3 2.814,4 7.917,5 96.733,6 7.478,7 0.414,8 3.961,9 4.09,10 3.53,11 3.488,12 5.062,13 3.477,14 4.518,15 4.694,16 3.914,17 3.918,18 5.632,19 3.871,20 4.822,21 5.05,22 3.953,23 4.042,24 5.845,25 3.963,26 4.842,27 5.1,28 3.829,29 3.952,30 5.894,31 3.861,32 4.709,33 4.968,34 3.766,35 3.836,36 5.715,37 3.77,38 4.566,39 4.78,40 3.737,41 3.776,42 5.644,43 3.733,44 4.528,45 4.735,46 3.676,47 3.73,48 5.716,49 3.679,50 4.475,51 4.705,52 3.443,53 3.628,54 5.611,55 3.535,56 0.046,57 0.743,58 9.546,59 3.961,60 9.621,61 5.389,62 0.3,63 1.203,64 18.352,65 7.275,66 32.466,67 10.137,68 0.302,69 1.457,70 27.386,71 9.748,72 45.419,73 13.959,74 0.467,75 1.405,76 29.592,77 8.939,78 71.276,79 13.471,80 0.351,81 1.242,82 25.926,83 7.597,84 49.375,85 11.445,86 0.318,87 1.142,88 21.202,89 6.236,90 42.869,91 9.016,92 0.36,93 1.095,94 20.194,95 6.023,96 50.966,97 8.599,98 0.365,99 0.971,100 19.915,101 6.291,102 55.242,103 8.916,104 11,105 41,106 0.271,107 0.614,108 0.73,109 0.79,110 0.825,111 0.825,112 3.304,113 0.928,114 -4.1,115 -4.04,116 -3.83,119 40.4,121 5,122 1,125 1,142 4,143 2,145 1,146 1,147 2,158 1,159 1,163 1,164 1,165 1,172 12,174 2,175 3,177 1,178 4,180 1,183 12,185 1,186 2,187 7,190 1,192 2,195 6,197 2,198 2,199 11,204 3,209 2,212 12,217 4,222 1,224 10,229 4,232 1,236 1,237 7,239 1,240 1,242 3,245 4,249 1,250 3,252 1,253 1,255 1,258 8,262 1,263 1,265 1,266 1,271 10,275 1012,276 17.654,277 17.654,278 17.654,279 17.654,280 17.654,281 16.02,282 14.707,283 10.361,284 17.871,285 14.321,286 14.321,287 14.321,288 14.321,289 14.321,290 11.743,291 19.761,292 4.935,293 14.691,294 3.969,295 1.959,296 1.276,297 0.926,298 0.723,299 0.723,300 4.003,303 1,304 1,305 1,306 606,307 2.828,310 57.977,311 226.703,314 103.599,318 1.692,319 28.315,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 278,332 4.49,333 3.786,334 6.745,335 4.151,336 3.213,337 4.106,338 1.701,339 11.037,340 3.011,341 4.213,342 3.5,343 6.146,344 3.856,345 2.862,346 3.768,347 0.98,348 9.053,349 2.84,350 3.951,351 2.946,352 5.888,353 3.623,354 2.627,355 3.33,356 0.563,357 8.071,358 2.608,359 3.571,360 2.672,361 5.537,362 3.475,363 2.482,364 2.78,365 0.075,366 7.268,367 2.462,368 3.406,369 2.526,370 5.236,371 3.037,372 2.068,373 2.473,375 6.264,376 1.994,377 3.067,378 2.06,379 4.764,380 2.655,381 1.711,382 2.245,384 5.011,385 1.612,386 2.965,387 2.027,388 4.402,389 2.548,390 1.549,391 2.08,393 4.162,394 1.537,395 2.625,396 1.468,397 3.73,398 2.416,399 1.436,400 1.601,402 3.125,403 1.401,404 2.5,405 1.4,406 3.718,407 2.11,408 1.102,409 1.5,411 2.734,412 1.102,413 2.5,414 1.029,415 3.485,416 2,417 1,418 1.494,420 2.275,421 1,422 2.069,423 1,424 3.414,425 2,426 1,427 1,428 2.136,429 1,430 2,431 1,432 3.247,433 1.736,434 0.806,435 0.978,436 2.123,437 0.746,438 1.374,439 0.629,440 2.868,441 1.031,442 0.068,443 0.079,445 0.176,446 0.065,447 0.947,448 0.166,449 2.612,450 0.615,451 -0.372,452 -0.438,454 -0.928,455 -0.364,456 0.787,457 -0.022,458 2.373,459 0.466,460 -0.559,461 -0.716,463 -1.322,464 -0.563,465 12.167,466 0.468,467 0.644,468 0.025,469 33.5,470 1.288,471 16,472 0.615,473 17.5,474 0.673,475 21.327,476 0.82,477 28.033,478 0.596,479 23.638,480 0.909,481 6.039,482 0.232,483 6.575,484 0.253,485 0.088,487 0.362,493 0.752,494 1.351,495 0.779,496 1.065,497 0.597,498 0.938,499 0.434,500 1.089,501 0.821,502 1.08,503 0.403,504 1.029,505 0.761,506 1.125,507 0.879,508 1.102,509 0.72,510 1.031,511 0.955,512 1.011,513 0.956,514 0.932,515 0.837,516 0.937,517 1.087,518 0.942,519 0.872,520 0.805,521 0.936,522 0.789,523 1.403,524 1.097,525 1.1,526 0.935,527 1.219,528 0.95,529 1.364,530 1.079,531 1.217,532 1.048,533 1.184,534 1.087,535 1.264,536 0.913,537 1.227,538 1.03,539 1.261,540 1.107,541 5,542 0.122,543 3.111,544 1.764,545 1.182,546 1.046,547 0.568,548 0.346,549 0.227,550 0.147,551 8136,552 20922,553 2.124,554 44.7,555 10,556 6,558 1,559 3,561 1,564 1.691,565 2,566 3.397,567 0.974,568 1,569 1,573 74.507,574 1.585,575 3.595,576 4.279,577 4.629,578 4.831,579 4.831,580 2.907,581 4.316,582 4.668,583 3.539,584 1150.29,585 8.093,586 14194.4,588 1,590 1,591 261.066,592 1.37,593 4.637,594 0.172,595 0.008,596 0.076,597 0.043,598 0.034,599 0.031,600 0.017,601 0.012,602 0.01,603 0.008,604 0.41,605 0.33,606 1,607 0.721,608 126.942,609 -0.078,610 -0.119,611 0.039,612 0.006,613 -0.036,614 0.039,615 0.288,616 0.044,617 0.054,618 -0.04,619 0.178,620 -0.043,621 0.061,622 -0.133,623 0.068,624 -0.092,625 0.052,626 -0.03,627 -0.001,628 -0.05,629 0.042,630 0.02,631 0.037,632 0.037,633 -0.106,634 0.028,635 0.132,636 0.139,637 -0.056,638 0.178,639 -0.263,640 -0.036,641 -0.126,642 0.006,643 -0.176,644 -0.025,645 -0.185,647 -0.248,648 -0.113,649 -0.076,650 -0.174,651 -0.145,652 0.08,653 -0.242,654 -0.069,655 -0.105,656 -0.154,657 2.134,658 5.356,659 0.808,660 24.456,661 1.005,662 1.133,663 2.867,664 8.217,665 0.66,666 3.401,667 3.738,668 4.025,669 4.29,670 4.543,671 4.644,672 4.836,673 4.956,674 5.043,675 5.165,676 6.25,677 0.633,678 351.45,679 3.401,680 4.949,681 5.808,682 6.691,683 7.57,684 8.46,685 9.348,686 10.242,687 11.136,688 12.034,689 10.6,696 3,699 2,704 5,705 2,709 5,711 12,717 1,731 47,733 14,734 1,735 29,737 50,738 19,739 10,740 2,741 4,742 1,746 4,747 5,751 1,755 5,756 1,758 5,761 12,762 7,763 1,766 2,771 2,775 2,777 1,778 1,781 21,782 7,783 3,784 7,790 5,794 0.75,795 2,802 1,811 1,812 3,815 1,840 3,848 26,849 1,854 6,855 1,858 1,859 1,870 4.3,873 2,877 13,878 8.267,879 5.639,880 3.035,881 2.414,882 1.317,883 1.004,884 4.601,885 10.028,886 3.638,887 4.19,888 4.732,889 5.279,890 5.836,891 6.141,892 6.603,893 6.935,894 7.269,895 7.65,896 1,897 41,898 9.644,900 4.217,901 7.827,902 18.473,904 15.702,905 2.327,906 60.5,909 1,910 211.88,911 84.495,912 87.603,914 50.29,917 84.495,918 262.17,919 87.603,921 68.811,922 37.905,923 100.337,924 18.175,925 8.932,926 200.109,928 211.88,929 172.098,930 50.29,933 200.109,934 62.061,937 80.615,938 57.912,939 33.571,941 211.88,942 137.893,943 84.495,946 211.88,947 37.543,948 50.077,949 18.011,950 116.758,951 211.88,952 137.893,953 84.495,955 0.586,956 0.342,957 0.18,958 0.1,959 21,960 9,961 0.08,962 4,963 1,964 1.095,965 3.824,966 223.558,967 0.095,968 21,969 114.211,974 16.984,975 7.044,976 3.454,978 137.893,979 8.52,980 9.018,984 3.006,986 50.908,987 434.268,988 37,993 23.568,997 -0.628,999 47.232,1000 53.232,1001 0.285,1002 0.647,1003 0.77,1004 0.833,1005 0.87,1006 0.87,1007 4.89,1008 1.436,1009 5.796,1010 4.162,1011 4.419,1012 4.875,1013 2.123,1014 6.613,1015 4.365,1016 6.076,1017 1.102,1018 7.359,1019 3.125,1020 4.007,1021 4.649,1022 1.305,1023 7.519,1024 3.928,1025 7.376,1026 1,1027 9.023,1028 2.734,1029 6.019,1030 6.981,1031 2.65,1032 10.62,1033 5.898,1034 8.708,1035 1,1036 10.744,1037 2.275,1038 6.431,1039 7.565,1040 2.473,1041 12.372,1042 6.27,1043 10.074,1044 0.806,1045 12.504,1046 2.136,1047 7.914,1048 9.399,1049 3.446,1050 14.984,1051 7.714,1052 11.462,1053 0.068,1054 14.289,1055 2.123,1056 8.708,1057 10.36,1058 3.608,1059 17.094,1060 8.452,1061 12.869,1062 -0.372,1063 16.093,1064 0.176,1065 9.976,1066 11.977,1067 4.379,1068 19.545,1069 9.679,1070 3.213,1071 -0.559,1072 17.912,1073 -0.928,1074 10.952,1075 13.131,1076 4.717,1077 21.812,1078 10.591,1079 2.862,1080 11.037,1081 19.742,1082 -1.322,1083 12.134,1084 14.641,1085 5.38,1086 24.213,1087 11.724,1088 2.627,1089 9.053,1090 21.582,1091 4.106,1092 13.197,1093 15.901,1094 5.808,1095 26.549,1096 12.719,1097 2.482,1098 8.071,1099 23.43,1100 3.768,1101 14.349,1102 17.356,1103 6.412,1104 28.938,1105 13.815,1106 2.068,1107 7.268,1108 25.285,1109 3.33,1110 15.455,1111 18.674,1112 6.887,1113 31.306,1114 14.851,1115 1.711,1116 6.264,1117 27.145,1118 2.78,1119 16.6,1120 20.101,1121 7.459,1122 33.695,1123 15.933,1124 1.549,1125 5.011,1126 29.011,1127 2.473,1128 17.728,1129 21.453,1130 7.96,1131 36.077,1132 16.99,1133 7734,1134 12585,1135 19.592,1136 31.029,1137 44.29,1138 45.632,1139 44.844,1140 43.815,1141 43.851,1142 54.871,1143 6.639,1144 126.87,1145 42.756,1146 5.49,1147 5.786,1148 6.547,1149 5.221,1150 5.213,1151 7.106,1152 2.972,1153 17.973,1154 5.011,1155 11.543,1156 1.527,1157 1.574,1158 1.546,1159 1.511,1160 1.512,1161 1.892,1162 0.229,1163 4.375,1164 1.474,1165 4.034,1166 4.077,1167 3.998,1168 3.925,1169 7.438,1170 3.933,1171 3.892,1172 3.935,1173 3.818,1174 3.786,1175 7.429,1176 3.779,1177 3.803,1178 3.851,1179 3.7,1180 3.639,1181 4.997,1182 3.662,1183 3.447,1184 3.493,1185 3.393,1186 3.246,1187 4.891,1188 3.272,1189 3.277,1190 3.346,1191 3.176,1192 3.07,1193 4.613,1194 3.076,1195 3.161,1196 3.222,1197 3.019,1198 2.941,1199 4.283,1200 2.937,1201 3.111,1202 3.206,1203 2.866,1204 2.901,1205 4.026,1206 2.91,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.978,1212 2.715,1213 0.155,1214 0.131,1215 0.233,1216 0.143,1217 0.111,1218 4.49,1219 0.142,1220 3.786,1221 0.059,1222 6.745,1223 0.381,1224 4.151,1225 0.104,1226 3.213,1227 4.106,1228 1.701,1229 11.037,1230 3.011,1231 1.949,1232 1.925,1233 2.113,1234 2.056,1235 1.514,1236 2.07,1237 1.891,1238 1.838,1239 2.031,1240 2.024,1241 1.128,1242 2.033,1243 1.653,1244 1.61,1245 1.73,1246 1.838,1247 0.994,1248 1.811,1249 1.405,1250 1.342,1251 1.628,1252 1.682,1253 0.825,1254 1.654,1255 1.207,1256 1.168,1257 1.513,1258 1.516,1259 0.717,1260 1.481,1261 1.153,1262 1.064,1263 1.371,1264 1.381,1265 0.483,1266 1.429,1267 1.098,1268 1.042,1269 1.303,1270 1.376,1271 0.277,1272 1.375,1273 0.886,1274 0.821,1275 1.181,1276 1.1,1277 0.218,1278 1.123,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.844,1285 8.541,1286 7.018,1287 10.193,1293 5.279,1295 6.722,1296 2.792,1299 0.515,1300 1.708,1305 29.751,1306 74.507,1307 168.986,1308 201.092,1309 217.556,1310 227.066,1311 227.066,1312 44.839,1313 7.614,1314 106.66,1315 106.66,1316 23,1317 12.559,1318 3.907,1319 3.17,1320 38.037,1321 96,1322 98,1323 0.194,1324 181.996,1325 317.48,1326 435.831,1327 20739,1329 18.096,1330 0.696,1331 0.555,1332 18.096,1333 14.442,1334 12.614,1335 0.435,1336 0.309,1337 8.863,1338 12.167,1339 8.726,1340 7.219,1341 12.614,1342 8.974,1343 11.533,1344 0.281,1345 0.169,1346 11.533,1347 6.914,1348 9.8,1349 0.178,1350 0.093,1351 9.8,1352 5.111,1353 8.12,1354 0.113,1355 0.051,1356 8.12,1357 3.662,1358 6.698,1359 0.072,1360 0.028,1361 6.698,1362 2.64,1363 0.303,1364 78.937,1365 0.226,1366 25.056,1367 0.537,1368 140,1369 400.052,1370 154.309,1371 388.841,1372 531.83,1373 362,1374 166,1375 396.174,1376 180.617,1377 399.914,1378 589.48,1379 377,1380 4.523}
{0 CHEMBL1945950,1 1.493,2 10.815,3 3.79,4 14.36,5 104.024,6 6.915,7 0.4,8 4.061,9 4.19,10 3.566,11 3.586,12 5.083,13 3.554,14 4.642,15 4.83,16 3.98,17 4.024,18 5.657,19 3.966,20 4.964,21 5.187,22 4.013,23 4.179,24 5.954,25 4.082,26 5.029,27 5.303,28 3.887,29 4.124,30 5.967,31 3.995,32 4.88,33 5.152,34 3.808,35 3.989,36 5.796,37 3.884,38 4.706,39 4.945,40 3.768,41 3.879,42 5.695,43 3.808,44 4.596,45 4.8,46 3.731,47 3.824,48 5.72,49 3.763,50 4.611,51 4.843,52 3.528,53 3.773,54 5.674,55 3.666,56 0.041,57 0.796,58 11.984,59 4.884,60 10.532,61 6.83,62 0.271,63 1.32,64 22.688,65 8.674,66 25.703,67 12.355,68 0.341,69 1.641,70 32.643,71 11.521,72 48.77,73 16.553,74 0.444,75 1.641,76 35.995,77 11.536,78 68.135,79 17.622,80 0.308,81 1.434,82 30.931,83 9.626,84 43.377,85 14.772,86 0.305,87 1.266,88 25.706,89 7.547,90 39.412,91 11.533,92 0.306,93 1.179,94 22.598,95 6.676,96 45.291,97 10.037,98 0.344,99 1.123,100 23.341,101 7.139,102 51.67,103 10.647,104 18,105 44,106 0.25,107 0.586,108 0.733,109 0.785,110 0.802,111 0.802,112 3.34,113 0.97,114 -4.71,115 -4.63,116 -4.35,119 39.6,120 2,121 5,122 1,125 1,130 1,142 4,143 2,145 1,146 1,147 2,159 1,172 12,174 2,175 2,178 3,180 3,183 15,186 2,187 5,190 1,192 2,195 10,198 2,199 9,204 3,207 4,212 11,217 4,220 2,224 10,229 4,232 1,237 9,240 1,242 3,245 4,250 5,253 1,255 1,258 8,263 3,266 1,271 10,275 1092,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 16.467,282 18.211,283 10.357,284 18.206,285 14.828,286 14.828,287 14.828,288 14.828,289 14.828,290 12.518,291 27.145,292 4.944,293 15.324,294 4.235,295 2.225,296 1.349,297 1.038,298 0.934,299 0.934,300 4.035,303 1,304 1,305 1,306 633,307 3.317,310 61.695,311 239.191,314 109.933,318 1.748,319 26.003,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 58,331 292,332 4.501,333 3.786,334 7.111,335 4.283,336 3.316,337 4.11,338 1.701,339 11.659,340 3.202,341 4.428,342 3.701,343 6.745,344 4.147,345 3.211,346 3.826,347 0.765,348 11.036,349 3.003,350 4.073,351 2.944,352 6.125,353 3.757,354 2.778,355 3.417,356 0.563,357 8.996,358 2.716,359 3.586,360 2.667,361 5.539,362 3.482,363 2.491,364 2.81,365 0.075,366 7.276,367 2.468,368 3.421,369 2.523,370 5.237,371 3.064,372 2.095,373 2.489,375 6.275,376 2.02,377 3.173,378 2.052,379 4.781,380 2.784,381 1.821,382 2.361,384 5.228,385 1.753,386 2.969,387 1.916,388 4.692,389 2.621,390 1.661,391 2.084,393 4.851,394 1.584,395 2.691,396 1.464,397 4.268,398 2.417,399 1.437,400 1.761,402 3.693,403 1.402,404 2.5,405 1.357,406 3.72,407 2.237,408 1.259,409 1.5,411 3.125,412 1.228,413 2.5,414 1.029,415 3.485,416 2,417 1,418 1.495,420 2.275,421 1,422 2.069,423 1,424 3.414,425 2,426 1,427 1,428 2.136,429 1,430 2,431 1,432 3.247,433 1.738,434 0.808,435 0.98,436 2.127,437 0.748,438 1.371,439 0.624,440 2.918,441 1.034,442 0.072,443 0.083,445 0.185,446 0.068,447 0.912,448 -0.011,449 2.795,450 0.618,451 -0.364,452 -0.426,454 -0.926,455 -0.355,456 0.787,457 -0.224,458 2.5,459 0.466,460 -0.554,461 -0.705,463 -1.331,464 -0.557,465 12.767,466 0.473,467 0.843,468 0.031,469 32.25,470 1.194,471 14.5,472 0.537,473 17.75,474 0.657,475 25.841,476 0.957,477 29.833,478 0.563,479 22.654,480 0.839,481 5.469,482 0.203,483 7.446,484 0.276,485 0.131,486 0.039,487 0.305,493 0.83,494 1.399,495 0.859,496 1.139,497 0.742,498 1.023,499 0.55,500 1.095,501 0.813,502 1.053,503 0.509,504 0.983,505 1.027,506 1.149,507 1.019,508 1.124,509 1.02,510 1.088,511 0.853,512 0.984,513 0.911,514 0.925,515 0.78,516 0.922,517 1,518 0.984,519 0.875,520 0.872,521 0.919,522 0.849,523 1.374,524 1.042,525 1.028,526 0.873,527 1.361,528 0.885,529 1.487,530 1.192,531 1.232,532 1.073,533 1.414,534 1.095,535 1.423,536 1.016,537 1.3,538 1.053,539 1.422,540 1.132,541 6.5,542 0.175,543 3.556,544 2.014,545 1.222,546 1.164,547 0.65,548 0.408,549 0.273,550 0.218,551 8955,552 19640,553 2.088,554 49.1,555 10,556 6,558 1,559 2,561 7,564 1.7,565 1.94,566 3.401,567 0.231,569 1,573 79.13,574 1.493,575 3.503,576 4.379,577 4.69,578 4.794,579 4.794,580 2.908,581 4.208,582 4.724,583 3.581,584 1256.82,585 8.2,586 15990.3,588 1,590 1,591 303.58,592 1.596,593 4.673,594 0.217,595 0.009,596 0.081,597 0.047,598 0.033,599 0.033,600 0.019,601 0.013,602 0.011,603 0.01,604 0.473,605 0.17,606 1,607 0.76,608 133.69,609 -0.054,610 -0.153,611 0.049,612 -0.009,613 -0.073,614 0.025,615 0.255,616 0.053,617 0.124,618 0.006,619 0.161,620 0.034,621 -0.009,622 -0.12,623 -0.047,624 -0.113,625 -0.021,626 -0.097,627 0.053,628 -0.023,629 0.073,630 0.031,631 0.068,632 0.051,633 -0.049,634 -0.007,635 0.116,636 0.076,637 -0.032,638 0.116,639 -0.188,640 0.017,641 -0.019,642 0.066,643 -0.152,644 0.054,645 -0.19,646 -0.055,647 -0.226,648 -0.121,649 -0.096,650 -0.165,651 -0.208,652 0.045,653 -0.298,654 -0.104,655 -0.157,656 -0.192,657 2.13,658 5.415,659 0.778,660 26.23,661 0.996,662 1.132,663 3.48,664 12.108,665 0.647,666 3.434,667 3.807,668 4.06,669 4.317,670 4.564,671 4.682,672 4.883,673 4.984,674 5.081,675 5.231,676 6.443,677 0.61,678 366.51,679 3.434,680 5.004,681 5.861,682 6.758,683 7.635,684 8.535,685 9.421,686 10.323,687 11.215,688 12.119,689 7.5,696 2,699 2,704 5,705 2,709 5,711 12,731 53,733 13,734 1,735 30,737 56,738 21,739 10,740 2,741 4,746 4,747 5,751 1,752 2,755 5,756 1,758 5,761 11,762 10,763 2,766 1,771 1,775 1,778 1,781 26,782 6,783 2,784 6,790 4,794 0.75,795 2,798 1,802 1,811 1,812 3,815 1,838 1,840 3,844 2,848 27,853 1,854 6,855 1,858 1,859 1,860 1,870 3.8,871 1,873 1,877 13.917,878 9.967,879 5.694,880 3.46,881 2.331,882 1.303,883 0.942,884 4.812,885 10.028,886 3.638,887 4.205,888 4.732,889 5.279,890 5.836,891 6.141,892 6.603,893 6.935,894 7.269,895 7.65,896 1,897 43,898 10.06,900 4.396,901 7.688,902 19.537,904 16.745,905 2.188,906 59.083,908 1,909 1,910 282.506,911 97.441,912 54.706,914 67.828,917 97.441,918 350.335,919 54.706,920 17.65,921 35.913,922 80.588,923 70.487,924 18.175,925 8.932,926 270.735,928 282.506,929 152.147,930 67.828,933 200.109,934 107.543,935 42.683,937 65.368,938 53.208,939 33.571,941 282.506,942 122.534,943 97.441,946 282.506,947 32.838,948 67.727,949 18.011,950 101.399,951 282.506,952 122.534,953 97.441,955 0.598,956 0.338,957 0.173,958 0.095,959 23,960 10,961 0.071,962 4,963 1,964 1.095,965 3.859,966 236.537,967 0.095,968 21,969 118.382,974 18.244,975 7.122,976 3.792,978 122.534,979 9.335,980 9.145,984 3.634,986 60.694,987 502.482,988 37,993 12.415,997 -0.134,999 52.781,1000 59.979,1001 0.261,1002 0.612,1003 0.765,1004 0.819,1005 0.837,1006 0.837,1007 4.92,1008 1.437,1009 5.894,1010 4.851,1011 4.489,1012 4.89,1013 2.029,1014 6.758,1015 4.42,1016 6.13,1017 1.259,1018 7.495,1019 3.693,1020 4.29,1021 4.758,1022 1.305,1023 7.928,1024 4.17,1025 7.453,1026 1,1027 9.206,1028 3.125,1029 6.184,1030 7.013,1031 2.565,1032 10.951,1033 6.035,1034 8.809,1035 1,1036 10.984,1037 2.275,1038 6.781,1039 7.65,1040 2.473,1041 12.917,1042 6.572,1043 10.199,1044 0.808,1045 12.804,1046 2.136,1047 8.21,1048 9.447,1049 3.401,1050 15.525,1051 7.97,1052 11.611,1053 0.072,1054 14.653,1055 2.127,1056 9.142,1057 10.439,1058 3.608,1059 17.783,1060 8.843,1061 13.041,1062 -0.364,1063 16.522,1064 0.185,1065 10.404,1066 12.037,1067 4.361,1068 20.267,1069 10.069,1070 3.316,1071 -0.554,1072 18.407,1073 -0.926,1074 11.478,1075 13.209,1076 4.717,1077 22.633,1078 11.088,1079 3.211,1080 11.659,1081 20.304,1082 -1.331,1083 12.681,1084 14.709,1085 5.373,1086 25.08,1087 12.25,1088 2.778,1089 11.036,1090 22.21,1091 4.11,1092 13.815,1093 15.978,1094 5.808,1095 27.488,1096 13.334,1097 2.491,1098 8.996,1099 24.123,1100 3.826,1101 14.999,1102 17.428,1103 6.409,1104 29.925,1105 14.476,1106 2.095,1107 7.276,1108 26.042,1109 3.417,1110 16.159,1111 18.752,1112 6.887,1113 32.35,1114 15.588,1115 1.821,1116 6.275,1117 27.966,1118 2.81,1119 17.34,1120 20.175,1121 7.458,1122 34.786,1123 16.726,1124 1.661,1125 5.228,1126 29.894,1127 2.489,1128 18.512,1129 21.53,1130 7.96,1131 37.219,1132 17.854,1133 8548,1134 12837,1135 19.879,1136 34.307,1137 46.497,1138 46.978,1139 46.328,1140 45.909,1141 45.897,1142 55.833,1143 6.209,1144 137.725,1145 44.383,1146 5.501,1147 5.786,1148 6.913,1149 5.354,1150 5.316,1151 7.11,1152 2.972,1153 18.609,1154 5.202,1155 13.578,1156 1.55,1157 1.566,1158 1.544,1159 1.53,1160 1.53,1161 1.861,1162 0.207,1163 4.591,1164 1.479,1165 4.041,1166 4.082,1167 4.001,1168 3.94,1169 7.43,1170 3.945,1171 3.9,1172 3.943,1173 3.826,1174 3.789,1175 6.449,1176 3.784,1177 3.814,1178 3.866,1179 3.703,1180 3.656,1181 4.993,1182 3.675,1183 3.544,1184 3.593,1185 3.441,1186 3.386,1187 4.65,1188 3.389,1189 3.347,1190 3.413,1191 3.237,1192 3.167,1193 4.284,1194 3.169,1195 3.178,1196 3.241,1197 3.023,1198 2.977,1199 4.05,1200 2.985,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.006,1206 2.91,1207 2.874,1208 3.009,1209 2.687,1210 2.735,1211 3.903,1212 2.715,1213 0.15,1214 0.126,1215 0.237,1216 0.143,1217 0.111,1218 4.501,1219 0.137,1220 3.786,1221 0.057,1222 7.111,1223 0.389,1224 4.283,1225 0.107,1226 3.316,1227 4.11,1228 1.701,1229 11.659,1230 3.202,1231 1.965,1232 1.941,1233 2.113,1234 2.063,1235 1.514,1236 2.072,1237 1.893,1238 1.839,1239 2.064,1240 2.03,1241 1.211,1242 2.05,1243 1.689,1244 1.645,1245 1.824,1246 1.872,1247 1,1248 1.856,1249 1.474,1250 1.417,1251 1.686,1252 1.684,1253 0.922,1254 1.682,1255 1.399,1256 1.336,1257 1.611,1258 1.658,1259 0.825,1260 1.646,1261 1.153,1262 1.064,1263 1.513,1264 1.387,1265 0.676,1266 1.429,1267 1.114,1268 1.059,1269 1.417,1270 1.376,1271 0.477,1272 1.382,1273 0.934,1274 0.854,1275 1.305,1276 1.239,1277 0.469,1278 1.308,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.844,1285 8.636,1286 7.018,1287 10.299,1289 3.523,1294 10.116,1295 6.826,1296 2.825,1299 0.534,1300 1.743,1301 -0.88,1305 32.31,1306 79.13,1307 185.65,1308 232.096,1309 248.56,1310 254.07,1311 254.07,1312 49.803,1313 7.697,1314 83.8,1315 83.8,1316 23,1317 12.641,1318 3.807,1319 3,1320 40.238,1321 104,1322 97,1323 0.191,1324 197.314,1325 343.72,1326 473.206,1327 22960,1329 19.018,1330 0.704,1331 0.589,1332 19.018,1333 15.904,1334 12.915,1335 0.43,1336 0.323,1337 9.602,1338 12.508,1339 9.323,1340 7.754,1341 12.915,1342 9.705,1343 12.591,1344 0.286,1345 0.184,1346 12.591,1347 8.109,1348 10.038,1349 0.176,1350 0.097,1351 10.038,1352 5.533,1353 8.293,1354 0.112,1355 0.053,1356 8.293,1357 3.906,1358 6.78,1359 0.071,1360 0.029,1361 6.78,1362 2.762,1363 0.299,1364 80.374,1365 0.224,1366 25.87,1367 0.526,1368 148,1369 377.153,1370 161.836,1371 368.836,1372 510.31,1373 344,1374 175,1375 386.723,1376 189.117,1377 392.542,1378 578.36,1379 369,1380 4.66}
{0 CHEMBL1945953,1 1.659,2 11.536,3 1.422,4 2.022,5 100.858,6 8.031,7 0.531,8 4,9 4.123,10 3.641,11 3.491,12 5.121,13 3.51,14 4.551,15 4.717,16 4.009,17 3.908,18 5.656,19 3.9,20 4.765,21 4.976,22 3.988,23 4.009,24 5.777,25 3.958,26 4.789,27 5.03,28 3.911,29 3.958,30 5.831,31 3.896,32 4.724,33 4.968,34 3.87,35 3.887,36 5.74,37 3.841,38 4.595,39 4.795,40 3.805,41 3.813,42 5.684,43 3.78,44 4.561,45 4.774,46 3.751,47 3.717,48 5.743,49 3.682,50 4.407,51 4.625,52 3.565,53 3.611,54 5.497,55 3.549,56 0.103,57 0.793,58 8.573,59 3.688,60 8.373,61 4.715,62 0.446,63 1.254,64 17.576,65 6.476,66 28.867,67 8.433,68 0.429,69 1.417,70 24.281,71 8.629,72 36.788,73 11.853,74 0.531,75 1.401,76 26.44,77 8.058,78 57.208,79 11.815,80 0.514,81 1.296,82 25.248,83 7.328,84 42.15,85 10.651,86 0.398,87 1.182,88 20.115,89 6.364,90 41.595,91 8.56,92 0.608,93 1.094,94 20.435,95 6.023,96 56.353,97 8.275,98 0.379,99 0.951,100 17.321,101 5.922,102 36.463,103 8.122,104 2,105 45,106 0.28,107 0.664,108 0.802,109 0.816,110 0.831,111 0.831,112 3.375,113 0.87,114 -4.56,115 -4.49,116 -4.22,119 40.4,121 2,122 1,125 3,142 4,143 2,145 1,146 1,147 2,149 1,159 1,160 1,168 1,172 8,174 3,175 6,178 4,183 7,186 2,187 10,190 1,192 1,195 3,198 2,199 11,204 3,211 1,212 12,217 5,224 6,229 3,232 1,236 4,237 3,240 1,242 2,245 4,249 3,250 2,253 1,255 1,258 6,262 2,263 2,266 1,271 5,275 1194,276 19.516,277 19.516,278 19.516,279 19.516,280 19.516,281 17.467,282 16.196,283 11.578,284 20.044,285 15.841,286 15.841,287 15.841,288 15.841,289 15.841,290 12.713,291 20.898,292 5.541,293 16.667,294 3.895,295 1.624,296 0.809,297 0.723,298 0.638,299 0.638,300 4.089,303 1,304 1,305 1,306 728,307 2.345,310 144.493,311 243.713,314 112.942,318 1.86,319 26.441,321 1,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 61.5,331 323,332 4.491,333 3.786,334 6.745,335 4.151,336 3.214,337 4.112,338 1.701,339 11.037,340 3.011,341 4.27,342 2.975,343 6.191,344 3.886,345 2.91,346 3.884,347 0.86,348 9.206,349 2.839,350 4.035,351 2.84,352 6.07,353 3.677,354 2.71,355 3.502,356 0.563,357 8.82,358 2.619,359 3.592,360 2.677,361 5.538,362 3.468,363 2.488,364 2.907,365 0.075,366 7.274,367 2.437,368 3.441,369 2.574,370 5.237,371 3.052,372 2.089,373 2.647,375 6.27,376 2.003,377 3.309,378 2.21,379 4.768,380 2.825,381 1.874,382 2.455,384 5.091,385 1.78,386 2.974,387 1.903,388 4.587,389 2.614,390 1.681,391 2.095,393 4.745,394 1.554,395 2.859,396 1.862,397 4.249,398 2.359,399 1.438,400 2.007,402 3.785,403 1.344,404 2.5,405 1.452,406 3.72,407 2.312,408 1.386,409 1.5,411 3.125,412 1.247,413 2.5,414 1.2,415 3.485,416 2,417 1,418 1.496,420 2.275,421 1,422 2.325,423 1.064,424 3.414,425 1.969,426 1,427 1.244,428 2.141,429 0.963,430 2.118,431 1,432 3.279,433 1.796,434 0.864,435 1,436 2.136,437 0.803,438 2.068,439 0.865,440 3.247,441 1.714,442 0.791,443 0.976,445 2.007,446 0.726,447 2,448 0.618,449 3,450 1.553,451 0.618,452 0.927,454 1.372,455 0.577,456 1.372,457 0.606,458 2.87,459 1.019,460 0.068,461 0.079,463 0.176,464 0.064,465 12.967,466 0.463,467 0.568,468 0.02,469 38.5,470 1.375,471 18.5,472 0.661,473 20,474 0.714,475 21.165,476 0.756,477 29.633,478 0.63,479 27.039,480 0.966,481 7.357,482 0.263,483 6.419,484 0.229,485 0.026,487 0.339,493 0.812,494 1.421,495 0.697,496 1.121,497 0.577,498 0.92,499 0.897,500 0.992,501 0.882,502 0.95,503 0.644,504 0.929,505 0.906,506 1.101,507 0.933,508 1.088,509 0.836,510 1.039,511 0.905,512 1.043,513 0.97,514 0.958,515 0.903,516 0.966,517 1.073,518 0.909,519 0.936,520 0.81,521 1.089,522 0.826,523 1.356,524 1.159,525 1.162,526 1.091,527 1.767,528 1.086,529 1.174,530 0.906,531 1.121,532 0.945,533 1.47,534 1.006,535 0.93,536 0.925,537 1.034,538 1.064,539 1.099,540 1.077,541 4.5,542 0.107,543 3.111,544 1.542,545 1.112,546 1.039,547 0.593,548 0.305,549 0.191,550 0.127,551 10998,552 30070,553 2.223,554 40.4,556 10,558 2,559 2,561 5,564 1.709,565 2.154,566 3.503,567 0.318,568 1,569 1,573 77.993,574 1.659,575 3.931,576 4.746,577 4.831,578 4.916,579 4.916,580 2.955,581 3.866,582 4.775,583 3.661,584 1384.03,585 8.299,586 18199.5,588 1,590 1,591 261.066,592 1.108,593 4.769,594 0.141,595 0.005,596 0.069,597 0.036,598 0.029,599 0.027,600 0.017,601 0.01,602 0.007,603 0.006,604 0.346,605 0.17,606 0.88,607 0.343,608 140.9,609 -0.04,610 -0.213,611 0.068,612 -0.092,613 0.005,614 -0.007,615 0.083,616 0.122,617 -0.012,618 0.041,619 0.063,620 -0.008,621 -0.024,622 -0.114,623 0.009,624 -0.069,625 0.019,626 -0.039,627 -0.031,628 -0.074,629 0.017,630 0.018,631 0.054,632 0.028,633 -0.116,634 0.055,635 0.069,636 0.154,637 -0.08,638 0.159,639 -0.282,640 -0.137,641 -0.218,642 -0.121,643 -0.305,644 -0.147,645 0.029,646 0.092,647 -0.132,648 -0.003,649 -0.02,650 -0.078,651 0.03,652 0.052,653 -0.068,654 -0.066,655 -0.015,656 -0.088,657 1.835,658 5.415,659 0.929,660 28.852,661 1.014,662 1.136,663 3.334,664 11.113,665 0.671,666 3.497,667 3.829,668 4.143,669 4.431,670 4.644,671 4.754,672 4.956,673 5.112,674 5.209,675 5.333,676 6.757,677 0.654,678 377.45,679 3.497,680 5.043,681 5.911,682 6.795,683 7.677,684 8.568,685 9.458,686 10.352,687 11.246,688 12.144,689 14.9,696 2,697 1,699 4,704 6,705 4,706 1,709 6,711 17,731 47,733 18,734 1,735 32,737 51,738 19,739 12,740 2,741 4,746 5,747 6,751 1,755 2,756 1,758 2,761 13,762 6,763 1,766 1,771 1,775 1,777 1,778 1,781 19,782 8,783 2,784 9,790 7,794 0.8,795 2,802 1,811 2,812 3,815 1,839 1,840 4,848 28,854 5,855 1,856 1,858 1,859 1,867 1,870 4.3,873 1,874 1,877 13,878 8.417,879 6.056,880 2.876,881 3.078,882 1.383,883 1.024,884 4.51,885 11.108,886 3.75,887 4.321,888 4.904,889 5.488,890 5.973,891 6.32,892 6.807,893 7.222,894 7.592,895 7.985,896 0.875,897 43,898 10.342,900 4.51,901 7.714,902 19.807,904 16.676,905 2.214,906 62,910 200.109,911 92.318,912 104.818,914 36.145,917 92.318,918 236.254,919 104.818,921 37.495,922 37.905,923 135.325,924 37.166,925 8.932,926 176.567,928 200.109,929 197.136,930 36.145,933 143.581,934 84,935 11,937 74.58,938 53.208,939 67.02,941 200.109,942 140.962,943 92.318,946 200.109,947 36.747,948 58.695,949 34.674,950 103.164,951 200.109,952 140.962,953 92.318,955 0.581,956 0.345,957 0.191,958 0.1,959 24,960 9,961 0.078,962 4,963 1,964 1.077,965 4.126,966 252.409,967 0.077,968 26,969 126.606,974 17.292,975 7.304,976 3.403,978 124.299,979 11.016,980 17.374,981 2.709,984 4.292,986 34.674,987 433.389,988 41.5,993 12.415,997 -0.168,999 47.669,1000 53.398,1001 0.299,1002 0.708,1003 0.854,1004 0.87,1005 0.885,1006 0.885,1007 4.992,1008 1.438,1009 5.883,1010 4.745,1011 4.511,1012 5.007,1013 2.069,1014 6.698,1015 4.417,1016 6.172,1017 1.386,1018 7.438,1019 3.785,1020 4.007,1021 4.663,1022 1.305,1023 7.582,1024 3.896,1025 7.465,1026 1,1027 9.094,1028 3.125,1029 6.103,1030 7.131,1031 2.596,1032 10.705,1033 5.923,1034 8.794,1035 1,1036 10.811,1037 2.275,1038 6.479,1039 7.665,1040 2.473,1041 12.458,1042 6.268,1043 10.159,1044 0.864,1045 12.569,1046 2.141,1047 7.991,1048 9.551,1049 3.415,1050 15.072,1051 7.722,1052 11.548,1053 0.791,1054 14.355,1055 2.136,1056 8.77,1057 10.496,1058 3.608,1059 17.181,1060 8.454,1061 12.956,1062 0.618,1063 16.16,1064 2.007,1065 10.049,1066 12.13,1067 4.365,1068 19.628,1069 9.679,1070 3.214,1071 0.068,1072 17.98,1073 1.372,1074 11.02,1075 13.284,1076 4.717,1077 21.889,1078 10.591,1079 2.91,1080 11.037,1081 19.812,1082 0.176,1083 12.206,1084 14.798,1085 5.374,1086 24.284,1087 11.721,1088 2.71,1089 9.206,1090 21.653,1091 4.112,1092 13.266,1093 16.061,1094 5.808,1095 26.612,1096 12.718,1097 2.488,1098 8.82,1099 23.501,1100 3.884,1101 14.419,1102 17.515,1103 6.409,1104 28.995,1105 13.812,1106 2.089,1107 7.274,1108 25.356,1109 3.502,1110 15.522,1111 18.837,1112 6.887,1113 31.355,1114 14.849,1115 1.874,1116 6.27,1117 27.216,1118 2.907,1119 16.665,1120 20.263,1121 7.458,1122 33.738,1123 15.93,1124 1.681,1125 5.091,1126 29.082,1127 2.647,1128 17.79,1129 21.617,1130 7.96,1131 36.115,1132 16.987,1133 10012,1134 16718,1135 22.364,1136 31.517,1137 48.801,1138 49.529,1139 48.425,1140 48.199,1141 48.259,1142 61.665,1143 6.4,1144 138.919,1145 45.933,1146 5.491,1147 5.786,1148 6.547,1149 5.225,1150 5.214,1151 7.112,1152 2.972,1153 17.974,1154 5.011,1155 6.702,1156 1.525,1157 1.548,1158 1.513,1159 1.506,1160 1.508,1161 1.927,1162 0.2,1163 4.341,1164 1.435,1165 4.045,1166 4.089,1167 4.011,1168 3.934,1169 7.43,1170 3.943,1171 3.911,1172 3.969,1173 3.871,1174 3.742,1175 5.141,1176 3.759,1177 3.801,1178 3.855,1179 3.698,1180 3.621,1181 4.983,1182 3.639,1183 3.677,1184 3.738,1185 3.612,1186 3.434,1187 4.617,1188 3.478,1189 3.354,1190 3.403,1191 3.294,1192 3.13,1193 4.607,1194 3.163,1195 3.111,1196 3.206,1197 2.958,1198 2.941,1199 4.064,1200 2.91,1201 3.102,1202 3.164,1203 2.866,1204 2.851,1205 4.01,1206 2.864,1207 2.854,1208 2.925,1209 2.753,1210 2.735,1211 3.761,1212 2.715,1213 0.14,1214 0.118,1215 0.211,1216 0.13,1217 0.1,1218 4.491,1219 0.129,1220 3.786,1221 0.053,1222 6.745,1223 0.345,1224 4.151,1225 0.094,1226 3.214,1227 4.112,1228 1.701,1229 11.037,1230 3.011,1231 1.947,1232 1.922,1233 2.041,1234 2.045,1235 1.416,1236 2.042,1237 1.824,1238 1.775,1239 2.023,1240 1.995,1241 1.135,1242 2.006,1243 1.644,1244 1.6,1245 1.711,1246 1.823,1247 0.825,1248 1.797,1249 1.328,1250 1.276,1251 1.525,1252 1.671,1253 0.819,1254 1.623,1255 1.298,1256 1.2,1257 1.513,1258 1.655,1259 0.677,1260 1.605,1261 1.181,1262 1.128,1263 1.482,1264 1.402,1265 0.355,1266 1.429,1267 1.153,1268 1.064,1269 1.264,1270 1.376,1271 0.312,1272 1.369,1273 0.985,1274 0.927,1275 1.181,1276 1.29,1277 0.272,1278 1.268,1279 4.174,1281 5.501,1282 3.045,1283 7.022,1284 5.352,1285 8.627,1286 7.413,1287 10.278,1295 4.028,1296 2.806,1297 5.416,1299 0.413,1300 1.698,1305 30.74,1306 77.993,1307 184.747,1308 223.066,1309 227.066,1310 231.066,1311 231.066,1312 38.643,1313 8.03,1314 114.37,1315 114.37,1316 28,1317 12.668,1318 4.248,1319 3.392,1320 37.741,1321 114,1322 106,1323 0.162,1324 185.264,1325 313.58,1326 443.804,1327 36133,1329 18.924,1330 0.676,1331 0.54,1332 18.924,1333 15.13,1334 13.776,1335 0.43,1336 0.29,1337 9.102,1338 13.087,1339 8.993,1340 7.38,1341 13.776,1342 9.276,1343 12.333,1344 0.274,1345 0.154,1346 12.333,1347 6.924,1348 10.924,1349 0.176,1350 0.083,1351 10.924,1352 5.116,1353 9.353,1354 0.113,1355 0.043,1356 9.353,1357 3.554,1358 7.418,1359 0.072,1360 0.023,1361 7.418,1362 2.417,1363 0.256,1364 87.45,1365 0.211,1366 26.875,1367 0.442,1368 154,1369 470.362,1370 172.886,1371 449.838,1372 624.12,1373 424,1374 184,1375 469.963,1376 204.082,1377 470.963,1378 695.25,1379 444,1380 5.585}
{0 CHEMBL1946130,1 1.527,2 11.536,3 3.774,4 14.242,5 106.976,6 7.49,7 0.531,8 4.033,9 4.164,10 3.622,11 3.578,12 5.095,13 3.564,14 4.592,15 4.769,16 3.991,17 4.014,18 5.61,19 3.966,20 4.867,21 5.1,22 3.984,23 4.124,24 5.79,25 4.031,26 4.885,27 5.142,28 3.906,29 4.056,30 5.848,31 3.957,32 4.791,33 5.049,34 3.868,35 3.955,36 5.752,37 3.882,38 4.664,39 4.889,40 3.792,41 3.867,42 5.694,43 3.813,44 4.57,45 4.783,46 3.71,47 3.809,48 5.641,49 3.748,50 4.524,51 4.752,52 3.563,53 3.736,54 5.572,55 3.645,56 0.045,57 0.815,58 10.147,59 4.229,60 7.597,61 5.747,62 0.258,63 1.332,64 19.495,65 7.545,66 21.394,67 10.575,68 0.238,69 1.571,70 28.326,71 10.522,72 29.573,73 15.071,74 0.364,75 1.535,76 30.276,77 9.98,78 54.117,79 14.813,80 0.277,81 1.413,82 27.593,83 8.467,84 37.165,85 12.62,86 0.318,87 1.275,88 23.563,89 6.909,90 39.405,91 9.884,92 0.253,93 1.173,94 20.905,95 6.53,96 37.739,97 9.204,98 0.277,99 1.091,100 20.376,101 6.765,102 41.365,103 9.525,104 2,105 45,106 0.255,107 0.608,108 0.742,109 0.804,110 0.836,111 0.836,112 3.375,113 0.921,114 -4.61,115 -4.53,116 -4.26,119 42,121 5,122 1,125 1,142 4,143 3,145 2,146 1,147 2,151 1,159 1,168 1,172 13,174 2,175 3,178 3,180 1,183 14,186 2,187 6,190 1,192 1,195 8,198 2,199 11,204 3,207 1,212 13,217 5,224 12,229 5,232 1,237 8,242 3,245 4,249 1,250 4,253 1,255 1,258 8,262 1,263 1,266 1,268 1,271 10,275 1194,276 19.516,277 19.516,278 19.516,279 19.516,280 19.516,281 17.467,282 11.883,283 11.578,284 19.811,285 15.841,286 15.841,287 15.841,288 15.841,289 15.841,290 12.713,291 17.41,292 5.541,293 16.334,294 4.117,295 2.002,296 1.199,297 0.83,298 0.64,299 0.64,300 4.089,303 1,304 1,305 1,306 728,307 2.345,310 144.493,311 243.713,314 112.942,318 1.86,319 20.939,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 323,332 4.491,333 3.786,334 6.745,335 4.151,336 3.214,337 4.112,338 1.701,339 11.037,340 3.013,341 4.27,342 2.975,343 6.191,344 3.901,345 2.91,346 3.884,347 0.563,348 9.206,349 2.878,350 4.035,351 2.84,352 6.07,353 3.691,354 2.71,355 3.502,356 0.075,357 8.82,358 2.657,359 3.592,360 2.633,361 5.538,362 3.479,363 2.488,364 2.907,366 7.274,367 2.465,368 3.441,369 2.514,370 5.237,371 3.059,372 2.089,373 2.647,375 6.27,376 2.015,377 3.309,378 2.051,379 4.768,380 2.84,381 1.874,382 2.455,384 5.091,385 1.809,386 2.974,387 1.903,388 4.587,389 2.631,390 1.681,391 2.095,393 4.745,394 1.589,395 2.859,396 1.477,397 4.249,398 2.418,399 1.438,400 2.007,402 3.785,403 1.403,404 2.5,405 1.434,406 3.72,407 2.362,408 1.386,409 1.5,411 3.125,412 1.349,413 2.5,414 1.03,415 3.485,416 2,417 1,418 1.496,420 2.275,421 1,422 2.325,423 1,424 3.414,425 2,426 1,427 1.244,428 2.141,429 1,430 2.118,431 1,432 3.279,433 1.84,434 0.864,435 1,436 2.136,437 0.841,438 2.068,439 0.865,440 3.247,441 1.73,442 0.791,443 0.976,445 2.007,446 0.74,447 2,448 0.618,449 3,450 1.547,451 0.618,452 0.927,454 1.372,455 0.572,456 1.372,457 0.606,458 2.87,459 1.03,460 0.068,461 0.079,463 0.176,464 0.065,465 13.233,466 0.473,467 0.568,468 0.02,469 37.5,470 1.339,471 18.5,472 0.661,473 19,474 0.679,475 22.734,476 0.812,477 29.367,478 0.587,479 25.47,480 0.91,481 6.768,482 0.242,483 7.008,484 0.25,485 0.025,487 0.332,493 0.747,494 1.293,495 0.761,496 1.044,497 0.529,498 0.923,499 0.595,500 1.082,501 0.879,502 1.04,503 0.51,504 1.004,505 0.717,506 1.058,507 0.897,508 1.088,509 0.726,510 1.033,511 0.886,512 1.007,513 0.912,514 0.947,515 0.838,516 0.935,517 1.174,518 0.987,519 0.899,520 0.861,521 1.062,522 0.836,523 1.74,524 1.014,525 1.153,526 0.891,527 1.864,528 0.932,529 1.648,530 1.088,531 1.206,532 1.02,533 1.753,534 1.047,535 1.365,536 0.971,537 1.19,538 1.048,539 1.583,540 1.095,541 4.5,542 0.107,543 3.111,544 1.542,545 1.112,546 1.039,547 0.593,548 0.305,549 0.191,550 0.127,551 10998,552 25556,553 2.223,554 44,555 10,556 6,557 1,558 2,559 2,561 1,564 1.709,565 2.154,566 3.503,567 0.247,569 1,573 76.337,574 1.527,575 3.641,576 4.444,577 4.814,578 5.004,579 5.004,580 2.955,581 3.866,582 4.775,583 3.661,584 1384.03,585 8.299,586 18199.5,588 1,590 1,591 282.193,592 1.108,593 4.769,594 0.141,595 0.005,596 0.069,597 0.036,598 0.029,599 0.027,600 0.017,601 0.01,602 0.007,603 0.006,604 0.346,605 0.17,606 0.88,607 0.343,608 140.9,609 0.019,610 -0.097,611 0.068,612 -0.016,613 0.041,614 0.023,615 0.226,616 0.036,617 0.006,618 -0.034,619 0.126,620 -0.046,621 0.1,622 -0.084,623 0.056,624 -0.075,625 0.078,626 -0.028,627 0.072,628 -0.059,629 0.086,630 0.033,631 0.111,632 0.057,633 -0.099,634 -0.015,635 0.11,636 0.091,637 -0.025,638 0.131,639 -0.334,640 0.018,641 -0.15,642 0.038,643 -0.275,644 -0.017,645 -0.318,646 -0.045,647 -0.227,648 -0.073,649 -0.21,650 -0.125,651 -0.165,652 0.028,653 -0.207,654 -0.081,655 -0.157,656 -0.142,657 1.784,658 5.455,659 0.929,660 28.852,661 1,662 1.13,663 3.379,664 11.42,665 0.672,666 3.497,667 3.829,668 4.143,669 4.431,670 4.644,671 4.754,672 4.956,673 5.112,674 5.209,675 5.333,676 6.757,677 0.641,678 374.49,679 3.497,680 5.043,681 5.911,682 6.795,683 7.677,684 8.568,685 9.458,686 10.352,687 11.246,688 12.144,689 12,696 2,697 1,699 3,704 7,705 3,706 1,709 6,711 17,731 50,733 18,734 1,735 32,737 54,738 21,739 13,740 2,741 4,746 5,747 6,751 1,755 5,756 1,758 5,761 14,762 7,763 1,766 1,771 1,775 1,778 1,781 22,782 6,783 2,784 7,790 6,794 0.8,795 1,802 1,803 1,811 2,812 3,815 1,840 4,848 28,854 6,855 1,858 1,859 1,870 2,873 1,877 13,878 8.883,879 6.056,880 3.276,881 3.078,882 1.383,883 1.033,884 4.574,885 11.108,886 3.75,887 4.321,888 4.904,889 5.488,890 5.973,891 6.32,892 6.807,893 7.222,894 7.592,895 7.985,896 0.875,897 43,898 10.37,900 4.525,901 7.607,902 20.219,904 17.338,905 2.107,906 59,908 1,909 1,910 235.422,911 101.071,912 88.032,914 25.145,917 101.071,918 260.567,919 88.032,921 35.913,922 46.952,923 98.921,924 47.071,925 20.703,926 200.109,928 235.422,929 189.103,930 25.145,933 223.651,934 36.916,937 73.428,938 65.441,939 50.234,941 235.422,942 113.177,943 101.071,946 235.422,947 36.023,948 68.172,949 34.674,950 75.379,951 235.422,952 113.177,953 101.071,955 0.581,956 0.345,957 0.191,958 0.1,959 24,960 9,961 0.074,962 4,963 1,964 1.077,965 4.126,966 252.409,967 0.077,968 26,969 126.606,974 17.389,975 7.364,976 3.438,978 96.514,979 13.505,980 13.215,981 2.828,984 5.066,986 34.674,987 449.67,988 41.5,993 12.455,997 -0.118,999 50.007,1000 56.521,1001 0.271,1002 0.645,1003 0.787,1004 0.853,1005 0.887,1006 0.887,1007 4.992,1008 1.438,1009 5.883,1010 4.745,1011 4.511,1012 5.007,1013 1.863,1014 6.698,1015 4.449,1016 6.172,1017 1.386,1018 7.438,1019 3.785,1020 4.007,1021 4.663,1022 1.305,1023 7.582,1024 3.919,1025 7.465,1026 1,1027 9.094,1028 3.125,1029 6.103,1030 7.131,1031 2.511,1032 10.705,1033 5.971,1034 8.794,1035 1,1036 10.811,1037 2.275,1038 6.479,1039 7.665,1040 2.473,1041 12.458,1042 6.305,1043 10.159,1044 0.864,1045 12.569,1046 2.141,1047 7.991,1048 9.551,1049 3.388,1050 15.072,1051 7.78,1052 11.548,1053 0.791,1054 14.355,1055 2.136,1056 8.77,1057 10.496,1058 3.608,1059 17.181,1060 8.506,1061 12.956,1062 0.618,1063 16.16,1064 2.007,1065 10.049,1066 12.13,1067 4.358,1068 19.628,1069 9.746,1070 3.214,1071 0.068,1072 17.98,1073 1.372,1074 11.02,1075 13.284,1076 4.717,1077 21.889,1078 10.655,1079 2.91,1080 11.037,1081 19.812,1082 0.176,1083 12.206,1084 14.798,1085 5.372,1086 24.284,1087 11.796,1088 2.71,1089 9.206,1090 21.653,1091 4.112,1092 13.266,1093 16.061,1094 5.808,1095 26.612,1096 12.792,1097 2.488,1098 8.82,1099 23.501,1100 3.884,1101 14.419,1102 17.515,1103 6.409,1104 28.995,1105 13.892,1106 2.089,1107 7.274,1108 25.356,1109 3.502,1110 15.522,1111 18.837,1112 6.887,1113 31.355,1114 14.93,1115 1.874,1116 6.27,1117 27.216,1118 2.907,1119 16.665,1120 20.263,1121 7.458,1122 33.738,1123 16.015,1124 1.681,1125 5.091,1126 29.082,1127 2.647,1128 17.79,1129 21.617,1130 7.96,1131 36.115,1132 17.074,1133 10012,1134 15470,1135 22.364,1136 33.58,1137 48.801,1138 49.338,1139 48.425,1140 48.201,1141 48.259,1142 61.665,1143 4.68,1144 138.919,1145 46.794,1146 5.491,1147 5.786,1148 6.547,1149 5.221,1150 5.214,1151 7.112,1152 2.972,1153 17.974,1154 5.013,1155 6.702,1156 1.525,1157 1.542,1158 1.513,1159 1.506,1160 1.508,1161 1.927,1162 0.146,1163 4.341,1164 1.462,1165 4.055,1166 4.097,1167 4.016,1168 3.958,1169 7.43,1170 3.963,1171 3.933,1172 3.986,1173 3.884,1174 3.795,1175 5.053,1176 3.797,1177 3.84,1178 3.898,1179 3.724,1180 3.687,1181 4.974,1182 3.703,1183 3.695,1184 3.751,1185 3.628,1186 3.517,1187 4.623,1188 3.54,1189 3.376,1190 3.436,1191 3.303,1192 3.187,1193 4.283,1194 3.2,1195 3.186,1196 3.25,1197 3.03,1198 2.991,1199 4.029,1200 2.997,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.986,1206 2.91,1207 2.854,1208 2.925,1209 2.748,1210 2.735,1211 3.674,1212 2.715,1213 0.14,1214 0.118,1215 0.211,1216 0.13,1217 0.1,1218 4.491,1219 0.129,1220 3.786,1221 0.053,1222 6.745,1223 0.345,1224 4.151,1225 0.094,1226 3.214,1227 4.112,1228 1.701,1229 11.037,1230 3.013,1231 1.958,1232 1.934,1233 2.113,1234 2.054,1235 1.514,1236 2.07,1237 1.892,1238 1.839,1239 2.04,1240 2.022,1241 1.158,1242 2.034,1243 1.67,1244 1.628,1245 1.742,1246 1.834,1247 0.995,1248 1.814,1249 1.412,1250 1.355,1251 1.634,1252 1.682,1253 0.825,1254 1.654,1255 1.364,1256 1.315,1257 1.517,1258 1.665,1259 0.774,1260 1.615,1261 1.234,1262 1.13,1263 1.513,1264 1.472,1265 0.584,1266 1.47,1267 1.153,1268 1.064,1269 1.396,1270 1.376,1271 0.469,1272 1.429,1273 1.11,1274 1.054,1275 1.304,1276 1.376,1277 0.254,1278 1.374,1279 4.174,1281 5.501,1282 3.045,1283 7.022,1284 5.352,1285 8.627,1286 7.413,1287 10.278,1295 6.89,1296 2.846,1299 0.546,1300 1.766,1305 32.058,1306 76.337,1307 182.071,1308 222.219,1309 240.683,1310 250.193,1311 250.193,1312 38.544,1313 8.03,1314 92.25,1315 92.25,1316 28,1317 12.668,1318 4.248,1319 3.392,1320 37.741,1321 114,1322 106,1323 0.162,1324 193.658,1325 328.39,1326 464.286,1327 36133,1329 18.924,1330 0.676,1331 0.556,1332 18.924,1333 15.559,1334 13.776,1335 0.43,1336 0.307,1337 9.709,1338 13.292,1339 9.561,1340 7.91,1341 13.776,1342 9.829,1343 12.333,1344 0.274,1345 0.167,1346 12.333,1347 7.537,1348 10.924,1349 0.176,1350 0.091,1351 10.924,1352 5.658,1353 9.353,1354 0.113,1355 0.049,1356 9.353,1357 4.099,1358 7.418,1359 0.072,1360 0.028,1361 7.418,1362 2.857,1363 0.256,1364 86.041,1365 0.211,1366 26.875,1367 0.442,1368 154,1369 406.982,1370 167.843,1371 399.692,1372 561.4,1373 376,1374 184,1375 431.51,1376 199.204,1377 436.278,1378 642.37,1379 412,1380 4.523}
{0 CHEMBL1946132,1 1.553,2 10.077,3 3.455,4 11.939,5 98.167,6 7.575,7 0.533,8 3.962,9 4.093,10 3.562,11 3.498,12 5.017,13 3.489,14 4.531,15 4.709,16 3.95,17 3.944,18 5.551,19 3.903,20 4.809,21 5.043,22 3.946,23 4.048,24 5.748,25 3.964,26 4.828,27 5.096,28 3.812,29 3.952,30 5.776,31 3.855,32 4.65,33 4.905,34 3.777,35 3.821,36 5.609,37 3.761,38 4.555,39 4.76,40 3.795,41 3.784,42 5.664,43 3.754,44 4.549,45 4.769,46 3.67,47 3.739,48 5.634,49 3.684,50 4.431,51 4.665,52 3.448,53 3.629,54 5.422,55 3.536,56 0.052,57 0.768,58 9.26,59 3.832,60 6.557,61 5.203,62 0.258,63 1.263,64 18.118,65 6.945,66 19.692,67 9.761,68 0.254,69 1.485,70 26.641,71 9.554,72 29.384,73 13.805,74 0.427,75 1.416,76 29.183,77 8.898,78 53.783,79 13.475,80 0.259,81 1.216,82 23.894,83 7.318,84 30.135,85 10.906,86 0.331,87 1.179,88 20.357,89 5.933,90 38.617,91 8.333,92 0.348,93 1.139,94 20.621,95 5.946,96 42.051,97 8.458,98 0.287,99 0.968,100 18.725,101 6.21,102 33.509,103 8.725,104 2,105 43,106 0.264,107 0.628,108 0.759,109 0.83,110 0.85,111 0.85,112 3.305,113 0.917,114 -4.23,115 -4.17,116 -3.94,119 41.3,121 5,122 1,125 1,142 3,143 2,145 2,146 1,147 2,152 1,159 1,168 1,172 10,174 2,175 3,178 3,180 2,183 10,186 2,187 7,190 1,192 2,195 5,198 2,199 11,204 2,212 10,217 3,223 1,224 9,227 1,229 4,232 1,236 1,237 6,240 1,242 3,245 4,249 1,250 3,253 1,258 8,266 1,267 1,271 9,275 970,276 18.102,277 18.102,278 18.102,279 18.102,280 18.102,281 16.198,282 11.883,283 10.636,284 18.403,285 14.858,286 14.858,287 14.858,288 14.858,289 14.858,290 11.886,291 17.41,292 5.1,293 15.361,294 3.971,295 1.828,296 1.059,297 0.642,298 0.522,299 0.522,300 4.022,303 1,304 1,305 1,306 596,307 2.345,310 110.531,311 196.213,314 191.711,318 1.55,319 20.986,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 262,332 4.515,333 3.786,334 6.746,335 4.154,336 3.216,337 4.394,338 1.701,339 11.039,340 3.026,341 4.406,342 3.025,343 6.283,344 3.96,345 2.978,346 4.047,347 0.563,348 9.548,349 2.911,350 3.984,351 2.843,352 5.991,353 3.611,354 2.637,355 3.421,356 0.075,357 8.539,358 2.567,359 3.563,360 2.591,361 5.535,362 3.468,363 2.478,364 2.771,366 7.265,367 2.452,368 3.397,369 2.48,370 5.236,371 3.022,372 2.055,373 2.468,375 6.26,376 1.977,377 3.034,378 2.05,379 4.763,380 2.639,381 1.696,382 2.301,384 5.003,385 1.594,386 2.986,387 1.542,388 4.447,389 2.518,390 1.534,391 2.161,393 4.319,394 1.507,395 2.935,396 1.531,397 4.28,398 2.434,399 1.454,400 2.072,402 3.93,403 1.419,404 2.543,405 1.453,406 3.72,407 2.411,408 1.434,409 1.563,411 3.125,412 1.395,413 2.499,414 1.062,415 3.485,416 2.015,417 1.049,418 1.495,420 2.381,421 1.011,422 2.074,423 1.027,424 3.437,425 2,426 1,427 1,428 2.136,429 1,430 2,431 1,432 3.247,433 1.739,434 0.81,435 0.984,436 2.124,437 0.749,438 1.908,439 0.638,440 3.048,441 1.394,442 0.425,443 0.624,445 1.043,446 0.41,447 1.346,448 0.396,449 2.866,450 1.003,451 0.042,452 0.049,454 0.11,455 0.04,456 0.811,457 -0.024,458 2.658,459 0.563,460 -0.433,461 -0.507,463 -1.082,464 -0.425,465 12.233,466 0.471,467 0.568,468 0.022,469 34.5,470 1.327,471 16.5,472 0.635,473 18,474 0.692,475 21.205,476 0.816,477 27.367,478 0.595,479 22.664,480 0.872,481 6.108,482 0.235,483 6.668,484 0.256,485 0.027,487 0.36,493 0.747,494 1.317,495 0.745,496 1.05,497 0.52,498 0.917,499 0.57,500 1.12,501 0.846,502 1.052,503 0.486,504 0.999,505 0.738,506 1.114,507 0.892,508 1.112,509 0.711,510 1.043,511 0.961,512 0.939,513 0.928,514 0.878,515 0.87,516 0.891,517 1.113,518 0.978,519 0.816,520 0.83,521 1.058,522 0.78,523 1.7,524 1.089,525 1.149,526 0.955,527 1.9,528 0.972,529 1.659,530 0.996,531 1.258,532 0.984,533 1.754,534 1.047,535 1.309,536 0.876,537 1.158,538 1.001,539 1.587,540 1.058,541 4.5,542 0.082,543 2.889,544 1.646,545 1.248,546 0.896,547 0.455,548 0.348,549 0.216,550 0.1,551 8648,552 19954,553 2.241,554 43.5,555 10,556 5,558 2,559 2,561 1,564 1.692,565 2.167,566 3.339,567 0.289,569 1,573 71.425,574 1.553,575 3.696,576 4.464,577 4.882,578 5.002,579 5.002,580 2.763,581 4.547,582 4.672,583 3.463,584 1125.41,585 8.102,586 13724,588 1,590 1,591 254.084,592 1.142,593 4.66,594 0.15,595 0.006,596 0.067,597 0.04,598 0.036,599 0.026,600 0.013,601 0.012,602 0.009,603 0.005,604 0.363,605 0.33,606 0.88,607 0.362,608 126.107,609 0.009,610 -0.109,611 0.07,612 -0.018,613 0.04,614 0.025,615 0.236,616 0.002,617 0.031,618 -0.042,619 0.136,620 -0.041,621 0.094,622 -0.137,623 0.062,624 -0.105,625 0.087,626 -0.042,627 0.031,628 -0.005,629 0.087,630 0.084,631 0.084,632 0.096,633 -0.067,634 -0.023,635 0.191,636 0.135,637 0.001,638 0.198,639 -0.266,640 -0.021,641 -0.169,642 -0.034,643 -0.245,644 -0.081,645 -0.292,646 0.053,647 -0.27,648 -0.068,649 -0.229,650 -0.148,651 -0.152,652 0.094,653 -0.172,654 -0.021,655 -0.195,656 -0.09,657 1.784,658 5.415,659 0.923,660 22.485,661 1.003,662 1.133,663 3.005,664 9.027,665 0.67,666 3.434,667 3.784,668 4.111,669 4.419,670 4.654,671 4.762,672 4.97,673 5.153,674 5.22,675 5.366,676 6.001,677 0.642,678 348.45,679 3.434,680 4.99,681 5.866,682 6.76,683 7.652,684 8.552,685 9.45,686 10.353,687 11.255,688 12.16,689 13,696 2,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,731 46,733 17,734 1,735 30,737 50,738 19,739 11,740 3,741 3,746 5,747 7,751 1,755 5,756 1,758 5,761 12,762 7,763 1,766 1,771 1,775 1,777 1,778 1,781 20,782 6,783 2,784 7,790 6,794 0.6,795 1,802 1,803 1,811 2,812 3,815 2,840 3,848 26,854 6,855 1,858 1,859 1,870 2.2,873 1,877 12,878 8.217,879 5.556,880 3.061,881 3.221,882 1.403,883 1.046,884 3.862,885 11.214,886 3.689,887 4.301,888 4.921,889 5.542,890 6.079,891 6.462,892 6.964,893 7.433,894 7.714,895 8.172,896 0.857,897 41,898 9.641,900 4.26,901 7.615,902 18.805,904 16.333,905 2.115,906 55,909 1,910 211.88,911 80.893,912 88.032,914 25.145,917 80.893,918 237.025,919 88.032,921 35.913,922 28.429,923 98.921,924 43.273,925 11.076,926 188.338,928 211.88,929 168.925,930 25.145,933 200.109,934 36.916,937 73.428,938 45.263,939 50.234,941 211.88,942 113.177,943 80.893,946 211.88,947 34.369,948 49.648,949 34.674,950 75.379,951 211.88,952 113.177,953 80.893,955 0.586,956 0.349,957 0.195,958 0.105,959 24,960 9,961 0.06,962 3,963 2,964 1.167,965 3.907,966 233.839,967 0.167,968 24,969 118.211,974 15.773,975 6.366,976 2.88,977 2.011,978 96.514,979 9.512,980 13.256,981 2.949,984 2.924,986 34.674,987 405.95,988 39,993 12.415,997 -0.118,999 46.123,1000 52.106,1001 0.281,1002 0.669,1003 0.808,1004 0.884,1005 0.906,1006 0.906,1007 4.942,1008 1.454,1009 5.849,1010 4.319,1011 4.466,1012 4.987,1013 1.863,1014 6.681,1015 4.398,1016 6.138,1017 1.434,1018 7.414,1019 3.93,1020 4.007,1021 4.783,1022 1.305,1023 7.582,1024 3.907,1025 7.447,1026 1.049,1027 9.078,1028 3.125,1029 6.075,1030 7.196,1031 2.511,1032 10.711,1033 5.932,1034 8.793,1035 1,1036 10.802,1037 2.381,1038 6.479,1039 7.872,1040 2.473,1041 12.47,1042 6.287,1043 10.174,1044 0.81,1045 12.565,1046 2.136,1047 7.983,1048 9.736,1049 3.388,1050 15.092,1051 7.755,1052 11.581,1053 0.425,1054 14.354,1055 2.124,1056 8.783,1057 10.82,1058 3.608,1059 17.204,1060 8.498,1061 13.006,1062 0.042,1063 16.163,1064 1.043,1065 10.062,1066 12.457,1067 4.358,1068 19.656,1069 9.737,1070 3.216,1071 -0.433,1072 17.986,1073 0.11,1074 11.047,1075 13.735,1076 4.717,1077 21.92,1078 10.661,1079 2.978,1080 11.039,1081 19.82,1082 -1.082,1083 12.235,1084 15.273,1085 5.372,1086 24.317,1087 11.805,1088 2.637,1089 9.548,1090 21.664,1091 4.394,1092 13.305,1093 16.644,1094 5.808,1095 26.647,1096 12.813,1097 2.478,1098 8.539,1099 23.515,1100 4.047,1101 14.461,1102 18.138,1103 6.409,1104 29.03,1105 13.919,1106 2.055,1107 7.265,1108 25.372,1109 3.421,1110 15.571,1111 19.555,1112 6.887,1113 31.39,1114 14.968,1115 1.696,1116 6.26,1117 27.234,1118 2.771,1119 16.717,1120 21.031,1121 7.458,1122 33.772,1123 16.06,1124 1.534,1125 5.003,1126 29.101,1127 2.468,1128 17.847,1129 22.471,1130 7.96,1131 36.148,1132 17.128,1133 7837,1134 12114,1135 20.978,1136 30.819,1137 45.983,1138 46.741,1139 45.902,1140 45.576,1141 45.615,1142 58.701,1143 4.68,1144 133.643,1145 44.119,1146 5.515,1147 5.786,1148 6.548,1149 5.225,1150 5.216,1151 7.394,1152 2.972,1153 17.979,1154 5.026,1155 6.297,1156 1.533,1157 1.558,1158 1.53,1159 1.519,1160 1.521,1161 1.957,1162 0.156,1163 4.455,1164 1.471,1165 4.119,1166 4.16,1167 4.084,1168 4.014,1169 7.43,1170 4.025,1171 3.953,1172 4.008,1173 3.909,1174 3.801,1175 5.11,1176 3.805,1177 3.829,1178 3.886,1179 3.708,1180 3.67,1181 4.95,1182 3.689,1183 3.483,1184 3.537,1185 3.429,1186 3.291,1187 4.361,1188 3.316,1189 3.26,1190 3.337,1191 3.143,1192 3.093,1193 4.28,1194 3.088,1195 3.139,1196 3.206,1197 3.011,1198 2.941,1199 4.019,1200 2.949,1201 3.111,1202 3.198,1203 2.866,1204 2.939,1205 3.945,1206 2.91,1207 2.926,1208 2.991,1209 2.813,1210 2.759,1211 3.738,1212 2.772,1213 0.151,1214 0.126,1215 0.225,1216 0.138,1217 0.107,1218 4.515,1219 0.146,1220 3.786,1221 0.057,1222 6.746,1223 0.368,1224 4.154,1225 0.101,1226 3.216,1227 4.394,1228 1.701,1229 11.039,1230 3.026,1231 1.969,1232 1.946,1233 2.113,1234 2.063,1235 1.514,1236 2.071,1237 1.892,1238 1.839,1239 2.039,1240 2.029,1241 1.18,1242 2.044,1243 1.656,1244 1.611,1245 1.729,1246 1.841,1247 0.995,1248 1.812,1249 1.404,1250 1.341,1251 1.626,1252 1.682,1253 0.825,1254 1.654,1255 1.31,1256 1.229,1257 1.513,1258 1.632,1259 0.731,1260 1.586,1261 1.153,1262 1.081,1263 1.463,1264 1.396,1265 0.485,1266 1.429,1267 1.132,1268 1.064,1269 1.307,1270 1.376,1271 0.407,1272 1.389,1273 1.015,1274 0.967,1275 1.197,1276 1.18,1277 0.294,1278 1.194,1279 4.111,1281 5.451,1282 3.045,1283 6.986,1284 5.416,1285 8.606,1286 7.516,1287 10.272,1295 6.9,1296 2.84,1299 0.549,1300 1.762,1305 29.531,1306 71.425,1307 170.004,1308 205.355,1309 224.574,1310 230.084,1311 230.084,1312 34.823,1313 7.993,1314 92.25,1315 92.25,1316 28,1317 12.679,1318 4.17,1319 3.322,1320 33.867,1321 93,1322 91,1323 0.178,1324 177.401,1325 296.43,1326 424.618,1327 33982,1329 17.51,1330 0.673,1331 0.554,1332 17.51,1333 14.404,1334 12.776,1335 0.426,1336 0.306,1337 9.05,1338 12.3,1339 8.921,1340 7.364,1341 12.776,1342 9.169,1343 11.638,1344 0.271,1345 0.166,1346 11.638,1347 7.144,1348 10.371,1349 0.173,1350 0.09,1351 10.371,1352 5.382,1353 9.003,1354 0.11,1355 0.048,1356 9.003,1357 3.959,1358 7.363,1359 0.071,1360 0.027,1361 7.363,1362 2.818,1363 0.275,1364 79.995,1365 0.218,1366 24.932,1367 0.497,1368 146,1369 388.982,1370 160.176,1371 380.737,1372 536,1373 358,1374 176,1375 414.792,1376 191.704,1377 418.342,1378 618.87,1379 395,1380 4.9}
{0 CHEMBL1946262,1 1.553,2 10.077,3 3.327,4 11.069,5 97.063,6 7.575,7 0.533,8 3.962,9 4.092,10 3.561,11 3.494,12 5.012,13 3.488,14 4.533,15 4.712,16 3.953,17 3.94,18 5.561,19 3.899,20 4.81,21 5.047,22 3.945,23 4.041,24 5.748,25 3.959,26 4.812,27 5.075,28 3.811,29 3.949,30 5.767,31 3.853,32 4.66,33 4.918,34 3.781,35 3.819,36 5.625,37 3.758,38 4.545,39 4.749,40 3.793,41 3.776,42 5.655,43 3.748,44 4.537,45 4.753,46 3.67,47 3.739,48 5.624,49 3.684,50 4.443,51 4.681,52 3.454,53 3.623,54 5.44,55 3.531,56 0.029,57 0.767,58 9.232,59 3.751,60 5.724,61 5.145,62 0.282,63 1.267,64 18.207,65 6.933,66 20.79,67 9.733,68 0.267,69 1.482,70 26.829,71 9.46,72 29.951,73 13.721,74 0.41,75 1.403,76 28.495,77 8.814,78 52.567,79 13.28,80 0.287,81 1.226,82 24.282,83 7.389,84 32.235,85 11.021,86 0.331,87 1.17,88 20.155,89 5.838,90 37.84,91 8.197,92 0.335,93 1.132,94 20.231,95 5.945,96 40.233,97 8.406,98 0.292,99 0.977,100 19.086,101 6.2,102 35.167,103 8.781,104 2,105 43,106 0.264,107 0.625,108 0.766,109 0.83,110 0.85,111 0.85,112 3.305,113 0.917,114 -4.23,115 -4.17,116 -3.94,119 41.3,121 5,122 1,125 1,142 3,143 1,145 1,146 2,147 2,152 1,159 1,160 1,172 9,174 2,175 3,178 4,180 1,183 8,186 2,187 7,190 1,192 2,195 4,198 2,199 9,204 2,211 1,212 9,217 3,223 1,224 8,227 1,229 4,232 1,236 1,237 6,240 1,242 2,245 4,250 2,253 2,258 7,262 1,263 1,267 1,271 7,275 970,276 18.102,277 18.102,278 18.102,279 18.102,280 18.102,281 16.198,282 11.883,283 10.636,284 18.468,285 14.858,286 14.858,287 14.858,288 14.858,289 14.858,290 11.886,291 17.41,292 5.1,293 15.462,294 3.971,295 1.844,296 1.016,297 0.642,298 0.522,299 0.522,300 4.022,303 1,304 1,305 1,306 596,307 2.345,310 110.531,311 196.213,314 191.711,318 1.55,319 21.654,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 262,332 4.515,333 3.786,334 6.746,335 4.154,336 3.216,337 4.394,338 1.701,339 11.039,340 3.02,341 4.406,342 3.025,343 6.283,344 3.95,345 2.978,346 4.047,347 0.563,348 9.548,349 2.885,350 3.984,351 2.843,352 5.991,353 3.604,354 2.637,355 3.421,356 0.075,357 8.539,358 2.548,359 3.563,360 2.591,361 5.535,362 3.467,363 2.478,364 2.771,366 7.265,367 2.448,368 3.397,369 2.48,370 5.236,371 3.021,372 2.055,373 2.468,375 6.26,376 1.975,377 3.034,378 2.05,379 4.763,380 2.639,381 1.696,382 2.301,384 5.003,385 1.594,386 2.986,387 1.542,388 4.447,389 2.499,390 1.534,391 2.161,393 4.319,394 1.478,395 2.935,396 1.531,397 4.28,398 2.429,399 1.454,400 2.072,402 3.93,403 1.412,404 2.543,405 1.453,406 3.72,407 2.408,408 1.434,409 1.563,411 3.125,412 1.391,413 2.499,414 1.062,415 3.485,416 2,417 1.049,418 1.495,420 2.381,421 1,422 2.074,423 1.027,424 3.437,425 1.98,426 1,427 1,428 2.136,429 0.974,430 2,431 1,432 3.247,433 1.739,434 0.81,435 0.984,436 2.124,437 0.749,438 1.908,439 0.638,440 3.048,441 1.374,442 0.425,443 0.624,445 1.043,446 0.402,447 1.346,448 0.396,449 2.866,450 1,451 0.042,452 0.049,454 0.11,455 0.04,456 0.811,457 -0.024,458 2.658,459 0.561,460 -0.433,461 -0.507,463 -1.082,464 -0.423,465 12.233,466 0.471,467 0.568,468 0.022,469 35,470 1.346,471 16.5,472 0.635,473 18.5,474 0.712,475 20.953,476 0.806,477 27.367,478 0.595,479 22.916,480 0.881,481 6.174,482 0.237,483 6.602,484 0.254,485 0.027,487 0.36,493 0.817,494 1.443,495 0.748,496 1.083,497 0.537,498 0.927,499 0.551,500 1.084,501 0.845,502 1.042,503 0.476,504 0.996,505 0.761,506 1.09,507 0.883,508 1.078,509 0.726,510 1.014,511 0.952,512 0.965,513 0.938,514 0.908,515 0.874,516 0.915,517 1.085,518 0.938,519 0.808,520 0.814,521 1.039,522 0.77,523 1.717,524 1.083,525 1.143,526 0.94,527 1.917,528 0.957,529 1.644,530 1.023,531 1.265,532 1.016,533 1.771,534 1.073,535 1.314,536 0.903,537 1.144,538 0.999,539 1.592,540 1.049,541 4.5,542 0.082,543 2.889,544 1.646,545 1.248,546 0.896,547 0.455,548 0.348,549 0.216,550 0.1,551 8648,552 19822,553 2.241,554 43.5,555 10,556 5,558 2,559 2,561 1,564 1.692,565 2.167,566 3.339,567 0.289,568 1,569 1,573 71.425,574 1.553,575 3.679,576 4.508,577 4.882,578 5.002,579 5.002,580 2.763,581 4.547,582 4.672,583 3.463,584 1125.41,585 8.102,586 13724,588 1,590 1,591 254.084,592 1.142,593 4.66,594 0.15,595 0.006,596 0.067,597 0.04,598 0.036,599 0.026,600 0.013,601 0.012,602 0.009,603 0.005,604 0.363,605 0.33,606 0.88,607 0.362,608 126.107,609 -0.063,610 -0.238,611 0.068,612 -0.052,613 0.023,614 0.015,615 0.275,616 0.041,617 0.035,618 -0.04,619 0.151,620 -0.044,621 0.087,622 -0.114,623 0.076,624 -0.076,625 0.083,626 -0.016,627 0.034,628 -0.026,629 0.071,630 0.058,631 0.082,632 0.071,633 -0.028,634 0.015,635 0.205,636 0.145,637 0.022,638 0.206,639 -0.269,640 -0.013,641 -0.161,642 -0.022,643 -0.247,644 -0.069,645 -0.286,646 0.03,647 -0.283,648 -0.095,649 -0.243,650 -0.173,651 -0.145,652 0.063,653 -0.151,654 -0.026,655 -0.191,656 -0.083,657 1.787,658 5.414,659 0.923,660 22.485,661 1.003,662 1.133,663 3.005,664 9.027,665 0.67,666 3.434,667 3.784,668 4.111,669 4.419,670 4.654,671 4.762,672 4.97,673 5.153,674 5.22,675 5.366,676 6.001,677 0.642,678 348.45,679 3.434,680 4.99,681 5.866,682 6.76,683 7.652,684 8.552,685 9.45,686 10.353,687 11.255,688 12.16,689 13,696 2,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,731 46,733 17,734 1,735 30,737 50,738 19,739 11,740 3,741 3,746 5,747 7,751 1,755 5,756 1,758 5,761 12,762 7,763 1,766 1,771 1,775 1,777 1,778 1,781 20,782 6,783 2,784 7,787 1,790 6,794 0.6,795 1,802 1,811 2,812 3,815 2,840 3,848 26,854 6,855 1,858 1,859 1,870 2.2,873 1,877 12,878 8.217,879 5.556,880 3.061,881 3.221,882 1.403,883 1.048,884 3.862,885 11.214,886 3.689,887 4.301,888 4.921,889 5.542,890 6.079,891 6.462,892 6.964,893 7.433,894 7.714,895 8.172,896 0.857,897 41,898 9.644,900 4.262,901 7.615,902 18.805,904 16.314,905 2.115,906 55,909 1,910 211.88,911 80.035,912 88.277,914 25.145,917 80.035,918 237.025,919 88.277,921 35.913,922 28.429,923 107.662,924 33.919,925 11.076,926 188.338,928 211.88,929 168.313,930 25.145,933 200.109,934 36.916,937 75.266,938 42.69,939 50.357,941 211.88,942 113.422,943 80.035,946 211.88,947 33.941,948 49.219,949 34.796,950 75.502,951 211.88,952 113.422,953 80.035,955 0.586,956 0.349,957 0.195,958 0.105,959 24,960 9,961 0.06,962 3,963 2,964 1.167,965 3.907,966 233.839,967 0.167,968 24,969 118.211,974 15.773,975 6.366,976 2.88,977 1.872,978 96.637,979 9.342,980 13.488,981 3.088,984 2.881,986 34.796,987 405.337,988 39,993 12.414,997 -0.12,999 46.123,1000 52.106,1001 0.281,1002 0.666,1003 0.816,1004 0.884,1005 0.906,1006 0.906,1007 4.942,1008 1.454,1009 5.849,1010 4.319,1011 4.466,1012 4.987,1013 1.863,1014 6.681,1015 4.387,1016 6.138,1017 1.434,1018 7.414,1019 3.93,1020 4.007,1021 4.783,1022 1.305,1023 7.582,1024 3.894,1025 7.447,1026 1.049,1027 9.078,1028 3.125,1029 6.075,1030 7.196,1031 2.511,1032 10.711,1033 5.911,1034 8.793,1035 1,1036 10.802,1037 2.381,1038 6.479,1039 7.872,1040 2.473,1041 12.47,1042 6.264,1043 10.174,1044 0.81,1045 12.565,1046 2.136,1047 7.983,1048 9.736,1049 3.388,1050 15.092,1051 7.726,1052 11.581,1053 0.425,1054 14.354,1055 2.124,1056 8.783,1057 10.82,1058 3.608,1059 17.204,1060 8.464,1061 13.006,1062 0.042,1063 16.163,1064 1.043,1065 10.062,1066 12.457,1067 4.358,1068 19.656,1069 9.699,1070 3.216,1071 -0.433,1072 17.986,1073 0.11,1074 11.047,1075 13.735,1076 4.717,1077 21.92,1078 10.618,1079 2.978,1080 11.039,1081 19.82,1082 -1.082,1083 12.235,1084 15.273,1085 5.372,1086 24.317,1087 11.758,1088 2.637,1089 9.548,1090 21.664,1091 4.394,1092 13.305,1093 16.644,1094 5.808,1095 26.647,1096 12.762,1097 2.478,1098 8.539,1099 23.515,1100 4.047,1101 14.461,1102 18.138,1103 6.409,1104 29.03,1105 13.864,1106 2.055,1107 7.265,1108 25.372,1109 3.421,1110 15.571,1111 19.555,1112 6.887,1113 31.39,1114 14.908,1115 1.696,1116 6.26,1117 27.234,1118 2.771,1119 16.717,1120 21.031,1121 7.458,1122 33.772,1123 15.997,1124 1.534,1125 5.003,1126 29.101,1127 2.468,1128 17.847,1129 22.471,1130 7.96,1131 36.148,1132 17.062,1133 7837,1134 12076,1135 20.978,1136 30.819,1137 45.983,1138 46.741,1139 45.902,1140 45.553,1141 45.615,1142 58.701,1143 4.68,1144 133.643,1145 43.834,1146 5.515,1147 5.786,1148 6.548,1149 5.226,1150 5.216,1151 7.394,1152 2.972,1153 17.979,1154 5.02,1155 6.297,1156 1.533,1157 1.558,1158 1.53,1159 1.518,1160 1.521,1161 1.957,1162 0.156,1163 4.455,1164 1.461,1165 4.117,1166 4.159,1167 4.082,1168 4.001,1169 7.43,1170 4.015,1171 3.953,1172 4.008,1173 3.908,1174 3.799,1175 5.102,1176 3.804,1177 3.829,1178 3.886,1179 3.709,1180 3.669,1181 4.943,1182 3.689,1183 3.491,1184 3.543,1185 3.433,1186 3.301,1187 4.321,1188 3.326,1189 3.269,1190 3.344,1191 3.152,1192 3.101,1193 4.275,1194 3.098,1195 3.145,1196 3.206,1197 3.012,1198 2.941,1199 4.018,1200 2.948,1201 3.111,1202 3.203,1203 2.866,1204 2.93,1205 3.952,1206 2.91,1207 2.899,1208 2.965,1209 2.792,1210 2.748,1211 3.796,1212 2.752,1213 0.151,1214 0.126,1215 0.225,1216 0.138,1217 0.107,1218 4.515,1219 0.146,1220 3.786,1221 0.057,1222 6.746,1223 0.368,1224 4.154,1225 0.101,1226 3.216,1227 4.394,1228 1.701,1229 11.039,1230 3.02,1231 1.957,1232 1.931,1233 2.113,1234 2.062,1235 1.514,1236 2.071,1237 1.892,1238 1.838,1239 2.025,1240 2.028,1241 1.151,1242 2.04,1243 1.653,1244 1.606,1245 1.728,1246 1.842,1247 0.995,1248 1.813,1249 1.406,1250 1.342,1251 1.628,1252 1.682,1253 0.825,1254 1.655,1255 1.358,1256 1.278,1257 1.515,1258 1.649,1259 0.726,1260 1.617,1261 1.153,1262 1.068,1263 1.513,1264 1.394,1265 0.494,1266 1.429,1267 1.122,1268 1.064,1269 1.305,1270 1.376,1271 0.436,1272 1.386,1273 0.975,1274 0.93,1275 1.156,1276 1.152,1277 0.222,1278 1.159,1279 4.111,1281 5.451,1282 3.045,1283 6.986,1284 5.416,1285 8.606,1286 7.516,1287 10.272,1295 6.892,1296 2.837,1299 0.548,1300 1.759,1305 29.531,1306 71.425,1307 169.249,1308 207.355,1309 224.574,1310 230.084,1311 230.084,1312 34.599,1313 7.993,1314 92.25,1315 92.25,1316 28,1317 12.679,1318 4.17,1319 3.322,1320 33.867,1321 93,1322 91,1323 0.178,1324 177.401,1325 296.43,1326 424.618,1327 33982,1329 17.51,1330 0.673,1331 0.554,1332 17.51,1333 14.404,1334 12.776,1335 0.426,1336 0.306,1337 9.047,1338 12.304,1339 8.922,1340 7.362,1341 12.776,1342 9.169,1343 11.638,1344 0.271,1345 0.165,1346 11.638,1347 7.107,1348 10.371,1349 0.173,1350 0.089,1351 10.371,1352 5.363,1353 9.003,1354 0.11,1355 0.048,1356 9.003,1357 3.948,1358 7.363,1359 0.071,1360 0.027,1361 7.363,1362 2.807,1363 0.275,1364 79.95,1365 0.218,1366 24.932,1367 0.497,1368 146,1369 388.982,1370 160.564,1371 380.266,1372 536.12,1373 358,1374 176,1375 414.129,1376 191.815,1377 417.743,1378 620.17,1379 395,1380 4.697}
{0 CHEMBL1946265,1 1.643,2 11.393,3 1.908,4 3.64,5 104.277,6 7.744,7 0.5,8 4.036,9 4.165,10 3.646,11 3.506,12 5.118,13 3.522,14 4.601,15 4.78,16 4.035,17 3.932,18 5.675,19 3.921,20 4.821,21 5.038,22 4.039,23 4.038,24 5.828,25 3.993,26 4.847,27 5.094,28 3.919,29 3.997,30 5.851,31 3.927,32 4.754,33 5.001,34 3.895,35 3.91,36 5.746,37 3.859,38 4.632,39 4.822,40 3.889,41 3.869,42 5.755,43 3.841,44 4.667,45 4.892,46 3.796,47 3.795,48 5.797,49 3.745,50 4.474,51 4.704,52 3.601,53 3.653,54 5.496,55 3.586,56 0.083,57 0.819,58 9.74,59 3.748,60 6.564,61 5.143,62 0.469,63 1.301,64 19.876,65 6.842,66 28.132,67 9.4,68 0.448,69 1.489,70 26.587,71 8.468,72 35.981,73 12.283,74 0.556,75 1.45,76 28.725,77 8.196,78 56.526,79 12.581,80 0.485,81 1.311,82 26.466,83 7.706,84 37.637,85 11.626,86 0.391,87 1.252,88 21.013,89 6.527,90 39.61,91 9.13,92 0.641,93 1.186,94 23.672,95 6.736,96 57.139,97 9.82,98 0.383,99 0.991,100 19.357,101 6.277,102 32.842,103 9.028,104 6,105 46,106 0.276,107 0.663,108 0.835,109 0.851,110 0.851,111 0.851,112 3.375,113 0.883,114 -3.42,115 -3.4,116 -3.25,119 38.8,121 2,122 1,124 1,125 3,142 3,143 1,145 1,146 2,147 2,152 1,159 1,162 1,172 5,174 2,175 5,178 5,179 1,180 1,183 3,186 2,187 8,190 1,192 2,195 1,198 2,199 7,204 4,211 2,212 8,217 5,223 1,224 4,227 1,229 2,232 1,236 3,237 2,240 3,242 1,245 4,249 1,250 1,253 3,258 5,262 1,263 2,266 1,267 1,271 2,275 1158,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 17.543,282 22.521,283 11.329,284 20.01,285 15.785,286 15.785,287 15.785,288 15.785,289 15.785,290 12.73,291 30.898,292 5.373,293 16.71,294 3.971,295 1.665,296 0.643,297 0.546,298 0.546,299 0.546,300 4.089,303 1,304 1,305 1,306 716,307 2.646,310 121.731,311 217.575,314 212.391,318 1.707,319 27.093,321 1,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 61.5,331 319,332 4.537,333 3.786,334 6.746,335 4.155,336 3.217,337 4.454,338 1.701,339 11.039,340 3.024,341 4.443,342 3.079,343 6.329,344 3.994,345 3.035,346 4.057,347 0.86,348 9.747,349 2.909,350 4.021,351 2.892,352 6.037,353 3.655,354 2.694,355 3.46,356 0.563,357 8.74,358 2.586,359 3.582,360 2.677,361 5.537,362 3.465,363 2.486,364 2.841,365 0.4,366 7.272,367 2.432,368 3.442,369 2.574,370 5.237,371 3.067,372 2.119,373 2.639,374 0.075,375 6.29,376 2.003,377 3.339,378 2.221,379 5.093,380 2.937,381 1.993,382 2.458,384 6.02,385 1.871,386 3.024,387 2.175,388 4.761,389 2.617,390 1.687,391 2.282,393 4.987,394 1.556,395 2.973,396 1.862,397 4.475,398 2.488,399 1.525,400 2.094,402 4.402,403 1.467,404 2.848,405 1.531,406 4.282,407 2.346,408 1.438,409 1.993,411 3.834,412 1.333,413 2.5,414 1.457,415 3.72,416 2.312,417 1.37,418 1.496,420 3.125,421 1.247,422 2.076,423 1.2,424 3.485,425 1.969,426 1,427 1,428 2.136,429 0.963,430 2,431 1.063,432 3.247,433 1.731,434 0.813,435 0.987,436 2.13,437 0.743,438 1.91,439 0.689,440 3.17,441 1.385,442 0.442,443 0.632,445 1.123,446 0.415,447 1.535,448 0.616,449 2.885,450 1.292,451 0.378,452 0.432,454 0.557,455 0.346,456 1.343,457 0.396,458 2.747,459 0.99,460 0.042,461 0.049,463 0.11,464 0.039,465 12.967,466 0.463,467 0.636,468 0.023,469 37.5,470 1.339,471 17,472 0.607,473 20.5,474 0.732,475 22.297,476 0.796,477 30.233,478 0.617,479 26.839,480 0.959,481 7.127,482 0.255,483 6.581,484 0.235,485 0.064,487 0.378,493 0.898,494 1.561,495 0.74,496 1.163,497 0.618,498 0.948,499 0.869,500 0.982,501 0.841,502 0.925,503 0.609,504 0.894,505 0.993,506 1.149,507 0.94,508 1.049,509 0.875,510 0.998,511 0.963,512 1.009,513 1.011,514 0.931,515 0.943,516 0.96,517 0.972,518 0.935,519 0.851,520 0.831,521 1.019,522 0.812,523 1.323,524 1.218,525 1.156,526 1.151,527 1.792,528 1.126,529 1.103,530 0.928,531 1.109,532 0.986,533 1.431,534 1.036,535 0.9,536 0.94,537 0.968,538 1.027,539 1.096,540 1.02,541 5.5,542 0.135,543 2.889,544 2.118,545 1.453,546 1.001,547 0.592,548 0.389,549 0.235,550 0.166,551 10458,552 26976,553 2.2,554 42.9,556 12,558 1,559 3,561 5,564 1.711,565 2.1,566 3.485,567 0.988,568 1,569 1,573 80.52,574 1.643,575 3.95,576 4.972,577 5.069,578 5.069,579 5.069,580 2.937,581 4.138,582 4.777,583 3.597,584 1359.72,585 8.31,586 17608.6,588 1,590 1,591 275.121,592 1.264,593 4.757,594 0.172,595 0.007,596 0.063,597 0.047,598 0.037,599 0.026,600 0.016,601 0.012,602 0.008,603 0.007,604 0.394,605 0.33,606 0.88,607 0.615,608 139.966,609 -0.103,610 -0.313,611 0.064,612 -0.102,613 -0.03,614 -0.001,615 0.131,616 0.151,617 0.059,618 0.079,619 0.097,620 0.046,621 -0.063,622 -0.123,623 0.005,624 -0.052,625 -0.001,626 -0.022,627 -0.07,628 -0.019,629 -0.034,630 0.032,631 0.015,632 0.015,633 -0.034,634 0.032,635 0.14,636 0.143,637 -0.008,638 0.175,639 -0.224,640 -0.131,641 -0.229,642 -0.173,643 -0.278,644 -0.198,645 0.066,646 0.076,647 -0.119,648 -0.042,649 -0.031,650 -0.101,651 0.051,652 0.042,653 0.001,654 -0.027,655 -0.035,656 -0.028,657 1.833,658 5.446,659 0.857,660 26.622,661 1.011,662 1.139,663 2.191,664 4.801,665 0.659,666 3.497,667 3.85,668 4.174,669 4.489,670 4.745,671 4.852,672 5.056,673 5.257,674 5.333,675 5.476,676 6.49,677 0.638,678 379.47,679 3.497,680 5.056,681 5.932,682 6.83,683 7.724,684 8.627,685 9.528,686 10.434,687 11.339,688 12.247,689 14.3,694 1,696 2,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,724 1,731 49,733 17,734 1,735 32,737 53,738 19,739 11,740 3,741 3,746 5,747 7,751 1,755 2,756 1,758 2,761 12,762 7,763 1,766 1,771 1,775 1,777 1,778 1,781 21,782 8,783 3,784 9,787 1,790 7,794 0.6,795 2,802 1,811 2,812 3,815 2,839 1,840 3,844 1,848 28,854 5,855 2,856 1,858 1,859 1,870 4.1,873 1,874 1,877 13.333,878 9.05,879 6.056,880 3.003,881 3.241,882 1.395,883 1.03,884 4.472,885 11.447,886 3.738,887 4.353,888 4.974,889 5.611,890 6.175,891 6.56,892 7.064,893 7.557,894 7.858,895 8.303,896 0.875,897 45,898 10.364,900 4.532,901 7.685,902 19.93,904 16.873,905 2.185,906 61.167,910 211.88,911 83.293,912 106.288,914 36.145,917 83.293,918 248.025,919 106.288,920 8.396,921 37.495,922 28.429,923 116.283,924 35.819,925 11.076,926 200.109,928 211.88,929 189.581,930 36.145,933 153.024,934 84,935 11,937 70.128,938 51.086,939 68.367,941 211.88,942 142.433,943 83.293,946 211.88,947 37.421,948 48.997,949 52.807,950 86.501,951 211.88,952 142.433,953 83.293,955 0.585,956 0.35,957 0.195,958 0.11,959 25,960 10,961 0.075,962 4,963 2,964 1.167,965 4.046,966 257.248,967 0.167,968 24,969 130.606,974 17.558,975 7.132,976 3.275,977 1.789,978 125.647,979 7.597,980 13.67,981 3.193,984 3.432,986 52.807,987 437.606,988 41,993 12.446,997 -0.167,999 49.552,1000 55.813,1001 0.293,1002 0.704,1003 0.885,1004 0.903,1005 0.903,1006 0.903,1007 4.997,1008 1.525,1009 5.922,1010 4.987,1011 4.533,1012 5.04,1013 2.109,1014 6.758,1015 4.427,1016 6.198,1017 1.438,1018 7.491,1019 4.402,1020 4.111,1021 4.89,1022 1.305,1023 7.662,1024 3.98,1025 7.513,1026 1.37,1027 9.156,1028 3.834,1029 6.151,1030 7.258,1031 2.6,1032 10.785,1033 5.949,1034 8.864,1035 1,1036 10.879,1037 3.125,1038 6.567,1039 7.96,1040 2.473,1041 12.532,1042 6.329,1043 10.249,1044 0.813,1045 12.638,1046 2.136,1047 8.06,1048 9.807,1049 3.415,1050 15.157,1051 7.761,1052 11.657,1053 0.442,1054 14.424,1055 2.13,1056 8.866,1057 10.909,1058 3.608,1059 17.263,1060 8.519,1061 13.085,1062 0.378,1063 16.228,1064 1.123,1065 10.14,1066 12.542,1067 4.365,1068 19.717,1069 9.737,1070 3.217,1071 0.042,1072 18.047,1073 0.557,1074 11.129,1075 13.837,1076 4.717,1077 21.977,1078 10.67,1079 3.035,1080 11.039,1081 19.878,1082 0.11,1083 12.317,1084 15.378,1085 5.374,1086 24.374,1087 11.802,1088 2.694,1089 9.747,1090 21.718,1091 4.454,1092 13.39,1093 16.765,1094 5.808,1095 26.7,1096 12.815,1097 2.486,1098 8.74,1099 23.566,1100 4.057,1101 14.547,1102 18.267,1103 6.409,1104 29.082,1105 13.914,1106 2.119,1107 7.272,1108 25.421,1109 3.46,1110 15.658,1111 19.7,1112 6.887,1113 31.439,1114 14.965,1115 1.993,1116 6.29,1117 27.282,1118 2.841,1119 16.805,1120 21.186,1121 7.458,1122 33.819,1123 16.053,1124 1.687,1125 6.02,1126 29.147,1127 2.639,1128 17.936,1129 22.642,1130 7.96,1131 36.191,1132 17.123,1133 9613,1134 15595,1135 22.076,1136 32.279,1137 48.707,1138 49.948,1139 49.504,1140 48.401,1141 48.476,1142 61.744,1143 7.2,1144 143.022,1145 45.867,1146 5.537,1147 5.786,1148 6.548,1149 5.23,1150 5.217,1151 7.454,1152 2.972,1153 17.98,1154 5.024,1155 9.868,1156 1.522,1157 1.561,1158 1.547,1159 1.513,1160 1.515,1161 1.929,1162 0.225,1163 4.469,1164 1.433,1165 4.124,1166 4.168,1167 4.094,1168 4.004,1169 7.43,1170 4.02,1171 3.947,1172 4.001,1173 3.912,1174 3.759,1175 5.096,1176 3.784,1177 3.794,1178 3.843,1179 3.681,1180 3.629,1181 4.941,1182 3.641,1183 3.526,1184 3.588,1185 3.461,1186 3.317,1187 4.61,1188 3.347,1189 3.335,1190 3.409,1191 3.228,1192 3.094,1193 4.379,1194 3.115,1195 3.138,1196 3.22,1197 2.973,1198 2.941,1199 4.065,1200 2.91,1201 3.111,1202 3.206,1203 2.911,1204 2.9,1205 4.062,1206 2.902,1207 3.059,1208 3.124,1209 2.866,1210 2.819,1211 3.93,1212 2.826,1213 0.142,1214 0.118,1215 0.211,1216 0.13,1217 0.101,1218 4.537,1219 0.139,1220 3.786,1221 0.053,1222 6.746,1223 0.345,1224 4.155,1225 0.094,1226 3.217,1227 4.454,1228 1.701,1229 11.039,1230 3.024,1231 1.956,1232 1.93,1233 2.04,1234 2.058,1235 1.416,1236 2.051,1237 1.824,1238 1.776,1239 2.02,1240 1.999,1241 1.15,1242 2.01,1243 1.646,1244 1.599,1245 1.733,1246 1.851,1247 0.825,1248 1.819,1249 1.488,1250 1.4,1251 1.695,1252 1.78,1253 0.82,1254 1.758,1255 1.328,1256 1.275,1257 1.525,1258 1.655,1259 0.723,1260 1.605,1261 1.153,1262 1.064,1263 1.513,1264 1.401,1265 0.669,1266 1.429,1267 1.117,1268 1.04,1269 1.362,1270 1.376,1271 0.383,1272 1.408,1273 1.033,1274 0.964,1275 1.218,1276 1.316,1277 0.277,1278 1.302,1279 4.174,1281 5.517,1282 3.045,1283 7.054,1284 5.476,1285 8.674,1286 7.618,1287 10.34,1289 1.821,1295 4.032,1296 5.816,1297 5.422,1299 0.413,1300 1.702,1305 31.267,1306 80.52,1307 193.553,1308 243.611,1309 248.366,1310 248.366,1311 248.366,1312 38.998,1313 8.206,1314 113.51,1315 113.51,1316 28,1317 12.764,1318 4.17,1319 3.322,1320 37.671,1321 110,1322 116,1323 0.17,1324 188.191,1325 316.22,1326 450.947,1327 43946,1329 19.087,1330 0.682,1331 0.555,1332 19.087,1333 15.528,1334 13.708,1335 0.428,1336 0.294,1337 9.239,1338 13.019,1339 9.085,1340 7.473,1341 13.708,1342 9.423,1343 12.453,1344 0.271,1345 0.154,1346 12.453,1347 7.091,1348 11.071,1349 0.173,1350 0.082,1351 11.071,1352 5.278,1353 9.512,1354 0.108,1355 0.042,1356 9.512,1357 3.7,1358 8.049,1359 0.071,1360 0.023,1361 8.049,1362 2.604,1363 0.265,1364 87.007,1365 0.213,1366 26.628,1367 0.469,1368 156,1369 459.05,1370 175.608,1371 438.682,1372 612.67,1373 414,1374 188,1375 464.808,1376 208.471,1377 466.28,1378 693.29,1379 440,1380 4.523}
{0 CHEMBL1946266,1 1.602,2 10.077,3 2.336,4 5.455,5 96.786,6 7.765,7 0.533,8 3.95,9 4.069,10 3.568,11 3.472,12 5.021,13 3.477,14 4.517,15 4.678,16 3.954,17 3.906,18 5.574,19 3.884,20 4.76,21 4.973,22 3.944,23 4.007,24 5.742,25 3.944,26 4.769,27 5.016,28 3.811,29 3.935,30 5.752,31 3.849,32 4.656,33 4.906,34 3.783,35 3.816,36 5.631,37 3.76,38 4.517,39 4.702,40 3.799,41 3.761,42 5.651,43 3.743,44 4.541,45 4.751,46 3.696,47 3.699,48 5.706,49 3.658,50 4.367,51 4.594,52 3.441,53 3.58,54 5.353,55 3.496,56 0.05,57 0.725,58 8.712,59 3.753,60 5.612,61 4.838,62 0.348,63 1.192,64 17.61,65 6.72,66 22.89,67 8.796,68 0.359,69 1.409,70 24.8,71 8.897,72 31.362,73 12.204,74 0.447,75 1.367,76 26.631,77 8.549,78 51.473,79 12.419,80 0.389,81 1.209,82 24.215,83 7.464,84 33.168,85 10.804,86 0.321,87 1.135,88 18.689,89 5.797,90 35.89,91 7.694,92 0.56,93 1.099,94 20.404,95 5.808,96 54.195,97 7.977,98 0.3,99 0.898,100 17.337,101 6.078,102 28.39,103 8.356,104 2,105 43,106 0.274,107 0.666,108 0.816,109 0.846,110 0.854,111 0.854,112 3.305,113 0.889,114 -3.42,115 -3.4,116 -3.25,119 42.2,121 2,122 1,125 3,142 4,143 2,145 1,146 1,147 2,151 1,152 1,159 1,172 7,174 2,175 4,178 3,180 3,183 6,186 2,187 6,190 1,192 2,195 4,198 2,199 7,204 2,207 1,211 1,212 10,217 3,224 6,227 1,229 2,232 1,236 2,237 3,240 2,242 2,245 4,249 1,250 2,253 1,255 1,258 6,263 2,267 1,271 5,275 970,276 18.102,277 18.102,278 18.102,279 18.102,280 18.102,281 16.198,282 16.196,283 10.636,284 18.555,285 14.858,286 14.858,287 14.858,288 14.858,289 14.858,290 11.886,291 20.898,292 5.1,293 15.571,294 3.89,295 1.59,296 0.711,297 0.533,298 0.489,299 0.489,300 4.022,303 1,304 1,305 1,306 596,307 2.345,310 110.531,311 196.213,314 191.711,318 1.55,319 23.301,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 262,332 4.515,333 3.786,334 6.746,335 4.154,336 3.216,337 4.394,338 1.701,339 11.039,340 3.026,341 4.406,342 3.025,343 6.283,344 3.96,345 2.978,346 4.047,347 0.86,348 9.548,349 2.912,350 3.984,351 2.844,352 5.991,353 3.61,354 2.637,355 3.421,356 0.563,357 8.539,358 2.563,359 3.563,360 2.664,361 5.535,362 3.458,363 2.478,364 2.771,365 0.075,366 7.265,367 2.428,368 3.397,369 2.513,370 5.236,371 3.018,372 2.055,373 2.468,375 6.26,376 1.971,377 3.034,378 2.207,379 4.763,380 2.623,381 1.696,382 2.301,384 5.003,385 1.561,386 2.986,387 1.862,388 4.447,389 2.524,390 1.534,391 2.161,393 4.319,394 1.517,395 2.935,396 1.538,397 4.28,398 2.422,399 1.454,400 2.072,402 3.93,403 1.403,404 2.543,405 1.528,406 3.72,407 2.312,408 1.434,409 1.563,411 3.125,412 1.247,413 2.499,414 1.2,415 3.485,416 2.011,417 1.049,418 1.495,420 2.381,421 1.006,422 2.074,423 1.073,424 3.437,425 1.969,426 1,427 1,428 2.136,429 0.963,430 2,431 1.05,432 3.247,433 1.729,434 0.81,435 0.984,436 2.124,437 0.74,438 1.908,439 0.638,440 3.048,441 1.397,442 0.425,443 0.624,445 1.043,446 0.412,447 1.346,448 0.396,449 2.866,450 0.992,451 0.042,452 0.049,454 0.11,455 0.04,456 0.811,457 0.03,458 2.658,459 0.542,460 -0.433,461 -0.507,463 -1.082,464 -0.416,465 12.167,466 0.468,467 0.568,468 0.022,469 35,470 1.346,471 16.5,472 0.635,473 18.5,474 0.712,475 19.959,476 0.768,477 27.433,478 0.61,479 23.91,480 0.92,481 6.603,482 0.254,483 6.173,484 0.237,485 0.027,487 0.362,493 0.84,494 1.406,495 0.725,496 1.084,497 0.577,498 0.909,499 0.903,500 1.049,501 0.888,502 0.965,503 0.614,504 0.938,505 0.928,506 1.088,507 0.965,508 1.06,509 0.834,510 1.032,511 0.869,512 0.992,513 0.982,514 0.941,515 0.897,516 0.966,517 1.002,518 0.919,519 0.828,520 0.781,521 1.053,522 0.765,523 1.491,524 1.215,525 1.157,526 1.046,527 1.919,528 1.034,529 1.347,530 0.935,531 1.231,532 0.928,533 1.612,534 1.021,535 0.974,536 0.882,537 1.039,538 0.995,539 1.135,540 1.025,541 4.5,542 0.082,543 2.889,544 1.646,545 1.248,546 0.896,547 0.455,548 0.348,549 0.216,550 0.1,551 8648,552 21542,553 2.241,554 42.2,556 10,557 1,558 1,559 2,561 5,564 1.692,565 2.167,566 3.339,567 0.289,568 1,569 1,571 1,573 72.103,574 1.602,575 3.902,576 4.781,577 4.959,578 5.003,579 5.003,580 2.763,581 4.547,582 4.672,583 3.463,584 1125.41,585 8.102,586 13724,588 1,590 1,591 247.133,592 1.142,593 4.66,594 0.15,595 0.006,596 0.067,597 0.04,598 0.036,599 0.026,600 0.013,601 0.012,602 0.009,603 0.005,604 0.363,605 0.5,606 0.88,607 0.362,608 126.107,609 -0.07,610 -0.223,611 0.067,612 -0.065,613 -0.012,614 0.012,615 0.081,616 0.057,617 -0.007,618 0.023,619 0.063,620 -0.013,621 -0.023,622 -0.087,623 -0.017,624 -0.071,625 0.01,626 -0.055,627 -0.001,628 -0.018,629 0.008,630 0.022,631 0.047,632 0.02,633 -0.031,634 0.043,635 0.186,636 0.176,637 -0.014,638 0.218,639 -0.27,640 -0.127,641 -0.211,642 -0.125,643 -0.289,644 -0.15,645 -0.03,646 0.12,647 -0.236,648 -0.03,649 -0.09,650 -0.136,651 -0.017,652 0.082,653 -0.065,654 -0.003,655 -0.07,656 -0.035,657 1.815,658 5.392,659 0.923,660 22.485,661 1.008,662 1.129,663 2.193,664 4.807,665 0.673,666 3.434,667 3.784,668 4.111,669 4.419,670 4.654,671 4.762,672 4.97,673 5.153,674 5.22,675 5.366,676 6.001,677 0.649,678 349.43,679 3.434,680 4.99,681 5.866,682 6.76,683 7.652,684 8.552,685 9.45,686 10.353,687 11.255,688 12.16,689 11.1,696 2,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,731 45,733 17,734 1,735 30,737 49,738 19,739 12,740 3,741 3,746 5,747 7,751 1,755 2,756 1,758 2,761 13,762 6,763 1,766 1,771 1,775 1,777 1,778 1,781 19,782 6,783 2,784 7,790 5,794 0.6,795 2,802 1,807 1,811 2,812 3,815 2,839 1,840 3,848 26,854 5,855 1,856 1,858 1,859 1,870 4.4,873 1,874 1,877 12,878 8.017,879 5.556,880 2.806,881 3.221,882 1.403,883 1.045,884 3.877,885 11.214,886 3.689,887 4.301,888 4.921,889 5.542,890 6.079,891 6.462,892 6.964,893 7.433,894 7.714,895 8.172,896 0.857,897 41,898 9.637,900 4.254,901 7.654,902 18.653,904 16.046,905 2.154,906 56,909 1,910 200.109,911 91.95,912 71.492,914 36.145,917 91.95,918 236.254,919 71.492,921 37.495,922 46.952,923 81.487,924 34.348,925 22.847,926 176.567,928 200.109,929 163.442,930 36.145,933 141.253,934 84,935 11,937 66.084,938 63.787,939 33.571,941 200.109,942 107.636,943 91.95,946 200.109,947 35.951,948 59.124,949 34.796,950 69.716,951 200.109,952 107.636,953 91.95,955 0.586,956 0.349,957 0.195,958 0.105,959 24,960 9,961 0.061,962 3,963 2,964 1.167,965 3.907,966 233.839,967 0.167,968 24,969 118.211,974 15.797,975 6.381,976 2.888,977 2.207,978 90.851,979 11.786,980 9.179,981 3.189,984 2.903,986 34.796,987 399.696,988 39,993 12.392,997 -0.148,999 45.349,1000 50.817,1001 0.292,1002 0.71,1003 0.871,1004 0.903,1005 0.911,1006 0.911,1007 4.942,1008 1.454,1009 5.849,1010 4.319,1011 4.466,1012 4.987,1013 2.069,1014 6.681,1015 4.38,1016 6.138,1017 1.434,1018 7.414,1019 3.93,1020 4.007,1021 4.783,1022 1.305,1023 7.582,1024 3.907,1025 7.447,1026 1.049,1027 9.078,1028 3.125,1029 6.075,1030 7.196,1031 2.596,1032 10.711,1033 5.911,1034 8.793,1035 1,1036 10.802,1037 2.381,1038 6.479,1039 7.872,1040 2.473,1041 12.47,1042 6.288,1043 10.174,1044 0.81,1045 12.565,1046 2.136,1047 7.983,1048 9.736,1049 3.415,1050 15.092,1051 7.737,1052 11.581,1053 0.425,1054 14.354,1055 2.124,1056 8.783,1057 10.82,1058 3.608,1059 17.204,1060 8.497,1061 13.006,1062 0.042,1063 16.163,1064 1.043,1065 10.062,1066 12.457,1067 4.365,1068 19.656,1069 9.723,1070 3.216,1071 -0.433,1072 17.986,1073 0.11,1074 11.047,1075 13.735,1076 4.717,1077 21.92,1078 10.658,1079 2.978,1080 11.039,1081 19.82,1082 -1.082,1083 12.235,1084 15.273,1085 5.374,1086 24.317,1087 11.794,1088 2.637,1089 9.548,1090 21.664,1091 4.394,1092 13.305,1093 16.644,1094 5.808,1095 26.647,1096 12.81,1097 2.478,1098 8.539,1099 23.515,1100 4.047,1101 14.461,1102 18.138,1103 6.409,1104 29.03,1105 13.912,1106 2.055,1107 7.265,1108 25.372,1109 3.421,1110 15.571,1111 19.555,1112 6.887,1113 31.39,1114 14.964,1115 1.696,1116 6.26,1117 27.234,1118 2.771,1119 16.717,1120 21.031,1121 7.458,1122 33.772,1123 16.055,1124 1.534,1125 5.003,1126 29.101,1127 2.468,1128 17.847,1129 22.471,1130 7.96,1131 36.148,1132 17.126,1133 7837,1134 12506,1135 20.978,1136 30.267,1137 45.983,1138 46.94,1139 45.902,1140 45.573,1141 45.615,1142 58.701,1143 6.4,1144 133.643,1145 43.58,1146 5.515,1147 5.786,1148 6.548,1149 5.229,1150 5.216,1151 7.394,1152 2.972,1153 17.979,1154 5.026,1155 6.297,1156 1.533,1157 1.565,1158 1.53,1159 1.519,1160 1.521,1161 1.957,1162 0.213,1163 4.455,1164 1.453,1165 4.132,1166 4.168,1167 4.092,1168 4.045,1169 7.43,1170 4.052,1171 3.949,1172 4.001,1173 3.911,1174 3.766,1175 5.038,1176 3.791,1177 3.793,1178 3.842,1179 3.679,1180 3.635,1181 4.901,1182 3.643,1183 3.491,1184 3.536,1185 3.433,1186 3.323,1187 4.61,1188 3.342,1189 3.242,1190 3.301,1191 3.149,1192 3.051,1193 4.278,1194 3.067,1195 3.111,1196 3.206,1197 2.947,1198 2.941,1199 4.064,1200 2.91,1201 3.088,1202 3.146,1203 2.866,1204 2.852,1205 3.944,1206 2.859,1207 2.924,1208 2.988,1209 2.812,1210 2.748,1211 3.766,1212 2.764,1213 0.151,1214 0.126,1215 0.225,1216 0.138,1217 0.107,1218 4.515,1219 0.146,1220 3.786,1221 0.057,1222 6.746,1223 0.368,1224 4.154,1225 0.101,1226 3.216,1227 4.394,1228 1.701,1229 11.039,1230 3.026,1231 1.969,1232 1.946,1233 2.046,1234 2.06,1235 1.416,1236 2.055,1237 1.825,1238 1.776,1239 2.029,1240 2,1241 1.18,1242 2.011,1243 1.649,1244 1.604,1245 1.713,1246 1.838,1247 0.825,1248 1.808,1249 1.482,1250 1.421,1251 1.658,1252 1.687,1253 0.822,1254 1.685,1255 1.328,1256 1.275,1257 1.525,1258 1.655,1259 0.682,1260 1.605,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.658,1266 1.429,1267 1.085,1268 1.04,1269 1.241,1270 1.332,1271 0.311,1272 1.319,1273 0.929,1274 0.878,1275 1.149,1276 1.15,1277 0.271,1278 1.156,1279 4.111,1281 5.451,1282 3.045,1283 6.986,1284 5.416,1285 8.606,1286 7.516,1287 10.272,1295 4.106,1296 2.818,1297 5.416,1299 0.433,1300 1.719,1305 29.224,1306 72.103,1307 175.57,1308 215.133,1309 223.133,1310 225.133,1311 225.133,1312 34.659,1313 7.993,1314 88.59,1315 88.59,1316 28,1317 12.679,1318 4.17,1319 3.322,1320 33.867,1321 93,1322 91,1323 0.178,1324 174.603,1325 294.22,1326 417.791,1327 33982,1329 17.51,1330 0.673,1331 0.548,1332 17.51,1333 14.235,1334 12.776,1335 0.426,1336 0.296,1337 8.741,1338 12.222,1339 8.623,1340 7.062,1341 12.776,1342 8.886,1343 11.638,1344 0.271,1345 0.158,1346 11.638,1347 6.804,1348 10.371,1349 0.173,1350 0.085,1351 10.371,1352 5.111,1353 9.003,1354 0.11,1355 0.044,1356 9.003,1357 3.629,1358 7.363,1359 0.071,1360 0.024,1361 7.363,1362 2.48,1363 0.275,1364 80.495,1365 0.218,1366 24.932,1367 0.497,1368 146,1369 413.072,1370 161.667,1371 396.072,1372 553.12,1373 374,1374 176,1375 417.301,1376 192.613,1377 420.012,1378 624.09,1379 397,1380 4.523}
{0 CHEMBL1946267,1 1.506,2 10.077,3 4.105,4 16.851,5 99.239,6 7.393,7 0.533,8 3.973,9 4.102,10 3.554,11 3.527,12 5.001,13 3.51,14 4.546,15 4.722,16 3.946,17 3.976,18 5.548,19 3.925,20 4.836,21 5.073,22 3.943,23 4.079,24 5.752,25 3.985,26 4.838,27 5.103,28 3.808,29 3.986,30 5.77,31 3.879,32 4.681,33 4.939,34 3.777,35 3.855,36 5.62,37 3.783,38 4.571,39 4.777,40 3.789,41 3.81,42 5.656,43 3.772,44 4.565,45 4.783,46 3.665,47 3.771,48 5.631,49 3.708,50 4.461,51 4.698,52 3.443,53 3.665,54 5.431,55 3.563,56 0.025,57 0.754,58 9.734,59 4.022,60 5.893,61 5.51,62 0.249,63 1.265,64 18.855,65 7.393,66 19.609,67 10.363,68 0.243,69 1.524,70 27.77,71 10.117,72 28.77,73 14.559,74 0.382,75 1.453,76 29.312,77 9.475,78 51.203,79 14.107,80 0.23,81 1.262,82 24.795,83 7.882,84 29.571,85 11.65,86 0.29,87 1.2,88 21.089,89 6.231,90 36.43,91 8.785,92 0.304,93 1.17,94 21.215,95 6.255,96 40.454,97 8.899,98 0.257,99 1.003,100 19.525,101 6.52,102 33.679,103 9.191,104 2,105 43,106 0.255,107 0.619,108 0.753,109 0.827,110 0.854,111 0.854,112 3.305,113 0.931,114 -4.41,115 -4.34,116 -4.09,119 42.6,121 5,122 1,125 1,142 4,143 2,145 1,146 1,147 2,151 1,152 1,159 1,172 11,174 2,175 2,178 3,180 3,183 11,186 2,187 5,190 1,192 2,195 7,198 2,199 9,204 2,207 1,212 11,217 3,224 10,227 1,229 4,232 1,237 7,240 1,242 3,245 4,250 3,253 1,255 1,258 8,263 1,267 1,271 10,275 970,276 18.102,277 18.102,278 18.102,279 18.102,280 18.102,281 16.198,282 11.883,283 10.636,284 18.402,285 14.858,286 14.858,287 14.858,288 14.858,289 14.858,290 11.886,291 17.41,292 5.1,293 15.36,294 4.049,295 1.898,296 1.106,297 0.67,298 0.511,299 0.511,300 4.022,304 1,305 1,306 596,307 2.345,310 110.531,311 196.213,314 191.711,318 1.55,319 19.843,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 262,332 4.515,333 3.786,334 6.746,335 4.154,336 3.216,337 4.394,338 1.701,339 11.039,340 3.026,341 4.406,342 3.025,343 6.283,344 3.96,345 2.978,346 4.047,347 0.563,348 9.548,349 2.912,350 3.984,351 2.843,352 5.991,353 3.611,354 2.637,355 3.421,356 0.075,357 8.539,358 2.567,359 3.563,360 2.591,361 5.535,362 3.468,363 2.478,364 2.771,366 7.265,367 2.452,368 3.397,369 2.48,370 5.236,371 3.022,372 2.055,373 2.468,375 6.26,376 1.977,377 3.034,378 2.05,379 4.763,380 2.639,381 1.696,382 2.301,384 5.003,385 1.594,386 2.986,387 1.542,388 4.447,389 2.524,390 1.534,391 2.161,393 4.319,394 1.518,395 2.935,396 1.531,397 4.28,398 2.431,399 1.454,400 2.072,402 3.93,403 1.414,404 2.543,405 1.453,406 3.72,407 2.41,408 1.434,409 1.563,411 3.125,412 1.393,413 2.499,414 1.062,415 3.485,416 2.011,417 1.049,418 1.495,420 2.381,421 1.006,422 2.074,423 1.027,424 3.437,425 2,426 1,427 1,428 2.136,429 1,430 2,431 1,432 3.247,433 1.74,434 0.81,435 0.984,436 2.124,437 0.75,438 1.908,439 0.638,440 3.048,441 1.398,442 0.425,443 0.624,445 1.043,446 0.412,447 1.346,448 0.396,449 2.866,450 1.002,451 0.042,452 0.049,454 0.11,455 0.04,456 0.811,457 -0.024,458 2.658,459 0.562,460 -0.433,461 -0.507,463 -1.082,464 -0.424,465 12.333,466 0.474,467 0.568,468 0.022,469 34.5,470 1.327,471 16.5,472 0.635,473 18,474 0.692,475 21.233,476 0.817,477 27.267,478 0.58,479 22.635,480 0.871,481 6.094,482 0.234,483 6.682,484 0.257,485 0.027,487 0.357,493 0.808,494 1.358,495 0.772,496 1.045,497 0.538,498 0.921,499 0.539,500 1.105,501 0.865,502 1.052,503 0.467,504 1.009,505 0.756,506 1.082,507 0.898,508 1.071,509 0.721,510 1.016,511 0.957,512 0.945,513 0.938,514 0.893,515 0.875,516 0.906,517 1.13,518 0.98,519 0.819,520 0.829,521 1.058,522 0.783,523 1.826,524 1.112,525 1.154,526 0.934,527 1.964,528 0.951,529 1.785,530 1.037,531 1.281,532 0.985,533 1.818,534 1.048,535 1.429,536 0.89,537 1.177,538 0.97,539 1.627,540 1.034,541 4.5,542 0.082,543 2.889,544 1.646,545 1.248,546 0.896,547 0.455,548 0.348,549 0.216,550 0.1,551 8648,552 18814,553 2.241,554 44.7,555 10,556 6,557 1,558 1,559 2,561 1,564 1.692,565 2.167,566 3.339,567 0.251,569 1,573 70.779,574 1.506,575 3.656,576 4.449,577 4.884,578 5.044,579 5.044,580 2.763,581 4.547,582 4.672,583 3.463,584 1125.41,585 8.102,586 13724,588 1,590 1,591 261.066,592 1.142,593 4.66,594 0.15,595 0.006,596 0.067,597 0.04,598 0.036,599 0.026,600 0.013,601 0.012,602 0.009,603 0.005,604 0.363,605 0.33,606 0.88,607 0.362,608 126.107,609 -0.048,610 -0.172,611 0.067,612 -0.021,613 0.016,614 0.029,615 0.279,616 0.011,617 0.027,618 -0.051,619 0.147,620 -0.052,621 0.103,622 -0.099,623 0.063,624 -0.078,625 0.084,626 -0.027,627 0.053,628 0.009,629 0.069,630 0.067,631 0.087,632 0.071,633 -0.046,634 -0.011,635 0.191,636 0.126,637 0.011,638 0.186,639 -0.291,640 -0.031,641 -0.157,642 -0.021,643 -0.252,644 -0.064,645 -0.329,646 0.033,647 -0.282,648 -0.076,649 -0.243,650 -0.154,651 -0.211,652 0.093,653 -0.184,654 -0.005,655 -0.204,656 -0.077,657 1.774,658 5.424,659 0.923,660 22.485,661 0.998,662 1.128,663 3.179,664 10.107,665 0.672,666 3.434,667 3.784,668 4.111,669 4.419,670 4.654,671 4.762,672 4.97,673 5.153,674 5.22,675 5.366,676 6.001,677 0.639,678 347.46,679 3.434,680 4.99,681 5.866,682 6.76,683 7.652,684 8.552,685 9.45,686 10.353,687 11.255,688 12.16,689 10.6,696 2,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,731 47,733 17,734 1,735 30,737 51,738 20,739 12,740 3,741 3,746 5,747 7,751 1,755 5,756 1,758 5,761 13,762 7,763 1,766 1,771 1,775 1,778 1,781 21,782 5,783 2,784 6,790 5,794 0.6,795 1,802 1,807 1,811 2,812 3,815 2,840 3,848 26,854 6,855 1,858 1,859 1,870 2.1,873 1,877 12,878 8.35,879 5.556,880 3.139,881 3.221,882 1.403,883 1.051,884 3.899,885 11.214,886 3.689,887 4.301,888 4.921,889 5.542,890 6.079,891 6.462,892 6.964,893 7.433,894 7.714,895 8.172,896 0.857,897 41,898 9.656,900 4.266,901 7.577,902 18.935,904 16.507,905 2.077,906 54,909 1,910 223.651,911 90.369,912 71.492,914 25.145,917 90.369,918 248.796,919 71.492,921 35.913,922 46.952,923 70.487,924 34.348,925 22.847,926 200.109,928 223.651,929 161.861,930 25.145,933 211.88,934 36.916,937 64.503,938 63.787,939 33.571,941 223.651,942 96.637,943 90.369,946 223.651,947 34.369,948 59.124,949 34.796,950 58.716,951 223.651,952 96.637,953 90.369,955 0.586,956 0.349,957 0.195,958 0.105,959 24,960 9,961 0.059,962 3,963 2,964 1.167,965 3.907,966 233.839,967 0.167,968 24,969 118.211,974 15.833,975 6.403,976 2.9,977 2.233,978 79.851,979 11.875,980 9.235,981 3.199,984 3.019,986 34.796,987 410.657,988 39,993 12.424,997 -0.108,999 46.905,1000 53.023,1001 0.271,1002 0.658,1003 0.801,1004 0.879,1005 0.908,1006 0.908,1007 4.942,1008 1.454,1009 5.849,1010 4.319,1011 4.466,1012 4.987,1013 1.863,1014 6.681,1015 4.398,1016 6.138,1017 1.434,1018 7.414,1019 3.93,1020 4.007,1021 4.783,1022 1.305,1023 7.582,1024 3.907,1025 7.447,1026 1.049,1027 9.078,1028 3.125,1029 6.075,1030 7.196,1031 2.511,1032 10.711,1033 5.933,1034 8.793,1035 1,1036 10.802,1037 2.381,1038 6.479,1039 7.872,1040 2.473,1041 12.47,1042 6.288,1043 10.174,1044 0.81,1045 12.565,1046 2.136,1047 7.983,1048 9.736,1049 3.388,1050 15.092,1051 7.756,1052 11.581,1053 0.425,1054 14.354,1055 2.124,1056 8.783,1057 10.82,1058 3.608,1059 17.204,1060 8.499,1061 13.006,1062 0.042,1063 16.163,1064 1.043,1065 10.062,1066 12.457,1067 4.358,1068 19.656,1069 9.738,1070 3.216,1071 -0.433,1072 17.986,1073 0.11,1074 11.047,1075 13.735,1076 4.717,1077 21.92,1078 10.662,1079 2.978,1080 11.039,1081 19.82,1082 -1.082,1083 12.235,1084 15.273,1085 5.372,1086 24.317,1087 11.806,1088 2.637,1089 9.548,1090 21.664,1091 4.394,1092 13.305,1093 16.644,1094 5.808,1095 26.647,1096 12.815,1097 2.478,1098 8.539,1099 23.515,1100 4.047,1101 14.461,1102 18.138,1103 6.409,1104 29.03,1105 13.921,1106 2.055,1107 7.265,1108 25.372,1109 3.421,1110 15.571,1111 19.555,1112 6.887,1113 31.39,1114 14.97,1115 1.696,1116 6.26,1117 27.234,1118 2.771,1119 16.717,1120 21.031,1121 7.458,1122 33.772,1123 16.062,1124 1.534,1125 5.003,1126 29.101,1127 2.468,1128 17.847,1129 22.471,1130 7.96,1131 36.148,1132 17.131,1133 7837,1134 11754,1135 20.978,1136 31.574,1137 45.983,1138 46.741,1139 45.902,1140 45.577,1141 45.615,1142 58.701,1143 4.68,1144 133.643,1145 44.122,1146 5.515,1147 5.786,1148 6.548,1149 5.225,1150 5.216,1151 7.394,1152 2.972,1153 17.979,1154 5.026,1155 6.297,1156 1.533,1157 1.558,1158 1.53,1159 1.519,1160 1.521,1161 1.957,1162 0.156,1163 4.455,1164 1.471,1165 4.133,1166 4.169,1167 4.092,1168 4.046,1169 7.43,1170 4.052,1171 3.957,1172 4.011,1173 3.912,1174 3.804,1175 5.038,1176 3.811,1177 3.83,1178 3.887,1179 3.709,1180 3.68,1181 4.901,1182 3.695,1183 3.501,1184 3.549,1185 3.439,1186 3.339,1187 4.298,1188 3.355,1189 3.279,1190 3.35,1191 3.161,1192 3.125,1193 4.262,1194 3.119,1195 3.152,1196 3.209,1197 3.014,1198 2.959,1199 4.017,1200 2.967,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.927,1206 2.91,1207 2.927,1208 2.991,1209 2.813,1210 2.769,1211 3.738,1212 2.777,1213 0.151,1214 0.126,1215 0.225,1216 0.138,1217 0.107,1218 4.515,1219 0.146,1220 3.786,1221 0.057,1222 6.746,1223 0.368,1224 4.154,1225 0.101,1226 3.216,1227 4.394,1228 1.701,1229 11.039,1230 3.026,1231 1.969,1232 1.946,1233 2.113,1234 2.063,1235 1.514,1236 2.071,1237 1.892,1238 1.839,1239 2.039,1240 2.029,1241 1.18,1242 2.044,1243 1.656,1244 1.611,1245 1.729,1246 1.842,1247 0.995,1248 1.814,1249 1.483,1250 1.421,1251 1.659,1252 1.689,1253 0.825,1254 1.686,1255 1.404,1256 1.341,1257 1.626,1258 1.68,1259 0.732,1260 1.652,1261 1.153,1262 1.081,1263 1.513,1264 1.397,1265 0.658,1266 1.429,1267 1.132,1268 1.064,1269 1.307,1270 1.376,1271 0.485,1272 1.39,1273 1.015,1274 0.968,1275 1.198,1276 1.181,1277 0.3,1278 1.194,1279 4.111,1281 5.451,1282 3.045,1283 6.986,1284 5.416,1285 8.606,1286 7.516,1287 10.272,1295 6.941,1296 2.85,1299 0.558,1300 1.774,1305 30.036,1306 70.779,1307 171.841,1308 209.092,1309 229.556,1310 237.066,1311 237.066,1312 34.429,1313 7.993,1314 79.36,1315 79.36,1316 28,1317 12.679,1318 4.17,1319 3.322,1320 33.867,1321 93,1322 91,1323 0.178,1324 180.199,1325 302.73,1326 431.445,1327 33982,1329 17.51,1330 0.673,1331 0.559,1332 17.51,1333 14.534,1334 12.776,1335 0.426,1336 0.31,1337 9.203,1338 12.369,1339 9.063,1340 7.483,1341 12.776,1342 9.309,1343 11.638,1344 0.271,1345 0.169,1346 11.638,1347 7.252,1348 10.371,1349 0.173,1350 0.092,1351 10.371,1352 5.495,1353 9.003,1354 0.11,1355 0.05,1356 9.003,1357 4.07,1358 7.363,1359 0.071,1360 0.028,1361 7.363,1362 2.879,1363 0.275,1364 79.495,1365 0.218,1366 24.932,1367 0.497,1368 146,1369 369.337,1370 158.788,1371 363.086,1372 513.76,1373 342,1374 176,1375 397.665,1376 189.955,1377 402.396,1378 597.77,1379 381,1380 4.523}
{0 CHEMBL1949908,1 1.78,2 12.029,3 2.522,4 6.363,5 137.199,6 8.286,7 0.5,8 4.265,9 4.373,10 4.076,11 3.821,12 5.256,13 3.78,14 4.867,15 5.038,16 4.413,17 4.244,18 6.004,19 4.192,20 5.083,21 5.278,22 4.4,23 4.393,24 6.06,25 4.299,26 5.156,27 5.374,28 4.407,29 4.411,30 6.132,31 4.301,32 5.143,33 5.381,34 4.381,35 4.395,36 6.117,37 4.262,38 5.009,39 5.211,40 4.377,41 4.391,42 5.886,43 4.253,44 4.965,45 5.137,46 4.417,47 4.341,48 5.947,49 4.229,50 5.023,51 5.236,52 4.297,53 4.306,54 5.953,55 4.2,56 0.138,57 1.053,58 14.833,59 6.041,60 15.843,61 7.068,62 0.644,63 1.738,64 30.89,65 10.114,66 59.623,67 12.152,68 0.677,69 2.04,70 42.488,71 13.73,72 53.8,73 16.432,74 0.609,75 2.134,76 44.64,77 14.645,78 66.948,79 18.785,80 0.854,81 2.07,82 46.347,83 15.323,84 77.286,85 19.181,86 0.454,87 1.982,88 44.753,89 14.924,90 29.249,91 17.437,92 0.508,93 1.888,94 40.025,95 13.343,96 37.127,97 15.301,98 0.449,99 1.899,100 37.09,101 12.823,102 34.072,103 16.419,104 11,105 59,106 0.282,107 0.598,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.076,114 -2.75,115 -2.76,116 -2.68,119 37.1,124 1,125 9,142 4,143 3,145 1,147 1,149 1,152 2,161 1,168 1,172 5,174 5,175 7,180 2,183 6,186 2,187 11,192 2,195 2,198 1,199 8,204 1,207 2,211 6,212 5,215 2,220 5,223 2,224 4,232 4,236 2,237 7,240 1,242 2,245 3,249 1,250 9,255 1,258 1,262 3,263 4,275 2196,276 23.797,277 23.797,278 23.797,279 23.797,280 23.797,281 21.272,282 24.599,283 13.813,284 24.667,285 19.826,286 19.826,287 19.826,288 19.826,289 19.826,290 15.807,291 35.664,292 6.611,293 21.275,294 4.175,295 2.183,296 1.222,297 0.786,298 0.786,299 0.786,300 4.307,305 1,306 945,307 3.536,310 149.966,311 393.117,314 276.737,318 1.86,319 36.782,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.67,328 1,329 0.71,330 76.5,331 421,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.618,338 0.916,339 11.657,340 3.11,341 4.67,342 3.345,343 6.793,344 4.201,345 3.252,346 4.51,347 0.86,348 11.247,349 3.077,350 4.507,351 3.098,352 6.634,353 4.029,354 3.06,355 4.443,356 0.8,357 10.64,358 2.939,359 3.901,360 3.011,361 5.868,362 3.575,363 2.67,364 3.382,365 0.4,366 8.287,367 2.415,368 3.774,369 2.748,370 5.747,371 3.404,372 2.479,373 3.119,374 0.172,375 7.774,376 2.309,377 3.551,378 2.465,379 5.474,380 3.319,381 2.379,382 2.698,384 7.244,385 2.21,386 3.225,387 2.312,388 4.957,389 2.881,390 1.954,391 2.386,393 5.727,394 1.795,395 3.048,396 2.213,397 4.707,398 2.635,399 1.743,400 2.321,402 4.829,403 1.538,404 3.018,405 1.945,406 4.616,407 2.537,408 1.561,409 2.161,411 4.645,412 1.529,413 2.947,414 1.551,415 4.538,416 2.486,417 1.546,418 2.082,420 4.412,421 1.445,422 2.69,423 1.547,424 4.056,425 2.374,426 1.442,427 1.679,428 3.568,429 1.331,430 2.5,431 1.477,432 3.766,433 2.102,434 1.241,435 1.5,436 2.961,437 1.058,438 2.399,439 1.256,440 3.427,441 1.97,442 1,443 1.386,445 2.275,446 0.968,447 2.032,448 1.146,449 3.414,450 1.967,451 1,452 1,454 2.232,455 0.965,456 2,457 1,458 3.392,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.967,466 0.485,467 0.976,468 0.028,469 44,470 1.257,471 19.5,472 0.557,473 24.5,474 0.7,475 34.901,476 0.997,477 38.233,478 0.617,479 33.797,480 0.966,481 8.19,482 0.234,483 8.764,484 0.25,485 0.069,486 0.049,487 0.306,493 0.656,494 1.477,495 0.755,496 1.185,497 0.629,498 0.973,499 1.043,500 1.026,501 0.94,502 0.86,503 0.576,504 0.805,505 1.171,506 1.076,507 1.161,508 1.044,509 1.05,510 1.003,511 0.941,512 1.151,513 0.95,514 1.033,515 1.134,516 1.033,517 0.807,518 0.766,519 0.933,520 0.816,521 0.993,522 0.862,523 0.703,524 1.09,525 1.358,526 1.289,527 0.422,528 1.068,529 0.914,530 1.232,531 1.161,532 1.262,533 0.836,534 1.189,535 0.764,536 1.161,537 0.931,538 1.096,539 0.537,540 1.114,541 7.5,542 0.196,543 4,544 2.444,545 1.501,546 1.421,547 0.837,548 0.587,549 0.369,550 0.297,551 18778,552 53112,553 2.184,554 43.5,556 25,558 1,559 1,564 1.771,565 2.069,566 3.527,567 -0.26,573 110.33,574 1.78,575 3.771,576 4.732,577 5.168,578 5.168,579 5.168,580 2.952,581 4.651,582 5.097,583 3.765,584 2240.01,585 8.972,586 34343.3,591 369.16,592 1.437,593 5.068,594 0.188,595 0.006,596 0.068,597 0.042,598 0.027,599 0.026,600 0.015,601 0.011,602 0.007,603 0.007,604 0.398,605 0.33,606 0.63,607 0.597,608 187.789,609 0.082,610 -0.254,611 0.182,612 -0.099,613 -0.092,614 -0.008,615 0.015,616 0.106,617 0.018,618 0.123,619 0.229,620 0.116,621 -0.182,622 -0.017,623 -0.155,624 -0.021,625 -0.098,626 -0.036,627 -0.079,628 -0.158,629 -0.017,630 -0.062,631 -0.102,632 -0.042,633 0.065,634 0.218,635 0.062,636 0.176,637 -0.06,638 0.137,639 -0.043,640 0.014,641 -0.137,642 -0.076,643 -0.014,644 -0.024,645 -0.052,646 -0.132,647 -0.104,648 -0.161,649 -0.103,650 -0.197,651 -0.031,652 -0.131,653 -0.049,654 -0.15,655 0.014,656 -0.131,657 4.051,658 4.845,659 0.857,660 39.378,661 1.011,662 1.131,663 1.521,664 2.313,665 0.682,666 3.714,667 4.094,668 4.394,669 4.71,670 4.963,671 5.142,672 5.384,673 5.591,674 5.737,675 5.943,676 7.405,677 0.644,678 513.71,679 3.714,680 5.293,681 6.168,682 7.076,683 7.967,684 8.879,685 9.779,686 10.694,687 11.599,688 12.515,689 11.3,692 2,695 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 62,733 22,734 1,735 40,737 67,738 23,739 13,740 3,741 3,746 6,747 8,761 13,762 10,766 2,769 1,771 2,781 27,782 9,783 1,784 12,785 2,790 7,794 0.667,795 3,803 1,806 1,811 2,812 4,815 2,836 1,839 1,840 4,842 2,844 1,848 35,852 1,854 9,856 1,859 3,865 1,870 4.8,873 2,874 1,877 16.917,878 11.45,879 7.333,880 3.711,881 3.989,882 1.457,883 1.04,884 6.23,885 12.708,886 3.97,887 4.64,888 5.227,889 5.887,890 6.436,891 6.916,892 7.469,893 7.993,894 8.352,895 8.832,896 0.875,897 58,898 13.148,900 5.911,901 7.688,902 25.347,904 21.963,905 2.188,906 76.583,910 306.049,911 131.959,912 74.664,914 55.313,916 37.085,917 94.874,918 361.361,919 74.664,920 7.19,921 23.925,922 43.712,923 117.635,924 44.137,925 5.83,926 325.555,928 306.049,929 169.539,930 55.313,931 37.085,933 308.377,934 44.313,935 11,937 54.595,938 62.382,939 56.042,940 31.278,941 306.049,942 129.977,943 131.959,945 5.807,946 306.049,947 72.009,948 61.91,949 16.663,950 105.547,951 306.049,952 129.977,953 131.959,955 0.595,956 0.344,957 0.188,958 0.101,959 32,960 13,961 0.075,962 5,963 2,964 1.133,965 4.541,966 358.098,967 0.133,968 30,969 167.525,970 1,973 1,974 23.255,975 9.376,976 4.681,977 3.978,978 113.314,979 10.06,980 14.25,981 3.03,983 1.686,984 3.8,986 16.663,987 567.985,988 52,991 -3.135,993 23.689,999 62.683,1000 70.108,1001 0.299,1002 0.633,1003 0.795,1004 0.868,1005 0.868,1006 0.868,1007 5.247,1008 1.743,1009 6.188,1010 5.727,1011 4.779,1012 5.328,1013 1.661,1014 7.06,1015 4.646,1016 6.484,1017 1.561,1018 7.785,1019 4.829,1020 4.511,1021 5.421,1022 0.57,1023 8.184,1024 4.308,1025 7.838,1026 1.546,1027 9.491,1028 4.645,1029 6.466,1030 7.679,1031 1.271,1032 11.253,1033 6.216,1034 9.235,1035 1.442,1036 11.262,1037 4.412,1038 7.022,1039 8.616,1040 0.581,1041 13.186,1042 6.709,1043 10.668,1044 1.241,1045 13.076,1046 3.568,1047 8.474,1048 10.396,1049 1.026,1050 15.815,1051 8.113,1052 12.128,1053 1,1054 14.919,1055 2.961,1056 9.382,1057 11.673,1058 0.515,1059 18.05,1060 8.963,1061 13.606,1062 1,1063 16.782,1064 2.275,1065 10.651,1066 13.286,1067 0.841,1068 20.542,1069 10.182,1070 3.314,1071 1,1072 18.661,1073 2.232,1074 11.711,1075 14.701,1076 0.441,1077 22.894,1078 11.186,1079 3.252,1080 11.657,1081 20.551,1082 2.136,1083 12.914,1084 16.252,1085 0.689,1086 25.342,1087 12.336,1088 3.06,1089 11.247,1090 22.451,1091 4.618,1092 14.039,1093 17.723,1094 0.373,1095 27.74,1096 13.405,1097 2.67,1098 10.64,1099 24.358,1100 4.51,1101 15.221,1102 19.25,1103 0.564,1104 30.175,1105 14.532,1106 2.479,1107 8.287,1108 26.27,1109 4.443,1110 16.375,1111 20.745,1112 0.314,1113 32.593,1114 15.629,1115 2.379,1116 7.774,1117 28.188,1118 3.382,1119 17.552,1120 22.264,1121 0.461,1122 35.025,1123 16.75,1124 1.954,1125 7.244,1126 30.109,1127 3.119,1128 18.719,1129 23.769,1130 0.264,1131 37.452,1132 17.859,1133 17221,1134 29126,1135 27.334,1136 42.313,1137 61.554,1138 62.698,1139 61.602,1140 61.531,1141 61.455,1142 79.593,1143 6.298,1144 185.247,1145 57.265,1146 5.743,1147 6.375,1148 6.913,1149 5.394,1150 5.314,1151 7.618,1152 1.776,1153 18.927,1154 5.11,1155 14.402,1156 1.539,1157 1.567,1158 1.54,1159 1.538,1160 1.536,1161 1.99,1162 0.157,1163 4.631,1164 1.432,1165 4.155,1166 4.188,1167 4.722,1168 4.093,1169 7.716,1170 4.073,1171 4.029,1172 4.053,1173 4.336,1174 3.96,1175 6.999,1176 3.936,1177 3.989,1178 3.99,1179 4.053,1180 3.948,1181 5.129,1182 3.828,1183 3.735,1184 3.782,1185 3.683,1186 3.54,1187 4.973,1188 3.543,1189 3.643,1190 3.676,1191 3.596,1192 3.471,1193 4.61,1194 3.449,1195 3.395,1196 3.457,1197 3.4,1198 3.217,1199 4.429,1200 3.23,1201 3.263,1202 3.322,1203 3.209,1204 3.119,1205 4.336,1206 3.118,1207 3.111,1208 3.206,1209 2.961,1210 2.941,1211 4.184,1212 2.91,1213 0.119,1214 0.109,1215 0.178,1216 0.106,1217 0.083,1218 4.743,1219 0.115,1220 4.375,1221 0.023,1222 7.111,1223 0.291,1224 4.248,1225 0.078,1226 3.314,1227 4.618,1228 0.916,1229 11.657,1230 3.11,1231 1.975,1232 1.952,1233 2.038,1234 2.079,1235 1.335,1236 2.07,1237 1.856,1238 1.844,1239 1.973,1240 2.04,1241 1.226,1242 2.063,1243 1.801,1244 1.766,1245 1.934,1246 1.968,1247 1.168,1248 1.963,1249 1.612,1250 1.599,1251 1.734,1252 1.787,1253 0.994,1254 1.816,1255 1.582,1256 1.541,1257 1.602,1258 1.749,1259 0.886,1260 1.763,1261 1.404,1262 1.379,1263 1.521,1264 1.622,1265 0.825,1266 1.589,1267 1.304,1268 1.23,1269 1.513,1270 1.504,1271 0.825,1272 1.546,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.811,1278 1.429,1279 4.394,1281 5.759,1282 3.045,1283 7.311,1284 5.352,1285 8.948,1286 7.424,1287 10.631,1289 1.28,1295 6.213,1297 5.585,1300 6.147,1305 39.936,1306 110.33,1307 233.802,1308 293.386,1309 320.405,1310 320.405,1311 320.405,1312 57.424,1313 8.719,1314 107.55,1315 144.17,1316 34,1317 13.028,1318 4.524,1319 3.7,1320 46.915,1321 156,1322 159,1323 0.147,1324 245.425,1325 407.97,1326 590.598,1327 77748,1329 23.993,1330 0.686,1331 0.603,1332 24.597,1333 21.108,1334 16.954,1335 0.424,1336 0.359,1337 11.704,1338 14.929,1339 11.234,1340 9.149,1341 18.256,1342 14.352,1343 16.324,1344 0.277,1345 0.205,1346 18.38,1347 12.074,1348 13.557,1349 0.169,1350 0.112,1351 15.033,1352 8.957,1353 11.866,1354 0.108,1355 0.061,1356 13.285,1357 6.665,1358 9.633,1359 0.068,1360 0.033,1361 10.855,1362 4.627,1363 0.23,1364 120.258,1365 0.191,1366 31.943,1367 0.409,1368 198,1369 581.131,1370 278.809,1371 594.87,1372 818.94,1373 556,1374 238,1375 570.047,1376 323.052,1377 621.84,1378 915.36,1379 583,1380 8.523}
{0 CHEMBL1949909,1 1.759,2 12.029,3 2.333,4 5.444,5 130.431,6 8.026,7 0.5,8 4.272,9 4.38,10 4.029,11 3.767,12 5.284,13 3.758,14 4.874,15 5.046,16 4.342,17 4.177,18 6.032,19 4.164,20 5.096,21 5.292,22 4.349,23 4.335,24 6.111,25 4.274,26 5.155,27 5.37,28 4.313,29 4.343,30 6.15,31 4.269,32 5.164,33 5.402,34 4.266,35 4.27,36 6.177,37 4.212,38 5.01,39 5.209,40 4.245,41 4.267,42 5.958,43 4.208,44 4.987,45 5.17,46 4.274,47 4.261,48 5.99,49 4.204,50 5.078,51 5.298,52 4.244,53 4.253,54 6.079,55 4.174,56 0.162,57 1.03,58 14.962,59 5.656,60 16.754,61 6.918,62 0.687,63 1.657,64 29.817,65 9.233,66 61.241,67 11.751,68 0.961,69 1.924,70 39.684,71 12.291,72 66.009,73 15.737,74 0.652,75 1.996,76 42.01,77 13.511,78 70.493,79 18.289,80 1.103,81 1.879,82 41.719,83 12.338,84 90.972,85 17.022,86 0.758,87 1.774,88 33.858,89 11.392,90 42.869,91 15.068,92 0.534,93 1.774,94 30.287,95 11.165,96 43.615,97 14.829,98 0.856,99 1.825,100 36.84,101 11.845,102 64.177,103 16.354,104 11,105 59,106 0.279,107 0.603,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.015,114 -2.03,115 -2.08,116 -2.07,119 37.1,124 1,125 9,142 4,143 2,145 1,146 1,147 1,149 1,152 3,168 1,172 4,174 5,175 5,180 2,183 4,186 6,187 7,192 2,195 2,198 1,199 7,204 1,207 1,211 6,212 5,215 2,220 2,223 4,224 4,232 1,236 2,237 6,240 1,242 1,245 1,249 4,250 7,253 1,262 3,263 2,275 2196,276 23.797,277 23.797,278 23.797,279 23.797,280 23.797,281 21.272,282 24.599,283 13.813,284 24.485,285 19.826,286 19.826,287 19.826,288 19.826,289 19.826,290 15.807,291 35.664,292 6.611,293 20.944,294 4.195,295 2.151,296 1.222,297 0.786,298 0.786,299 0.786,300 4.307,305 1,306 945,307 3.536,310 149.966,311 393.117,314 276.737,318 1.86,319 40.862,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 77.5,331 421,332 4.743,333 4.375,334 7.111,335 4.249,336 3.314,337 4.618,338 0.916,339 11.657,340 3.147,341 4.67,342 3.345,343 6.793,344 4.217,345 3.252,346 4.51,347 0.86,348 11.247,349 3.077,350 4.507,351 3.098,352 6.634,353 4.042,354 3.06,355 4.443,356 0.8,357 10.64,358 3.006,359 3.901,360 3.011,361 5.868,362 3.611,363 2.67,364 3.382,365 0.4,366 8.287,367 2.512,368 3.774,369 2.748,370 5.747,371 3.41,372 2.479,373 3.119,374 0.172,375 7.774,376 2.316,377 3.551,378 2.465,379 5.474,380 3.329,381 2.379,382 2.698,384 7.244,385 2.242,386 3.225,387 2.312,388 4.957,389 2.915,390 1.954,391 2.386,393 5.727,394 1.873,395 3.048,396 2.213,397 4.707,398 2.665,399 1.743,400 2.321,402 4.829,403 1.603,404 3.018,405 1.945,406 4.616,407 2.537,408 1.561,409 2.161,411 4.645,412 1.529,413 2.947,414 1.551,415 4.538,416 2.488,417 1.546,418 2.082,420 4.412,421 1.445,422 2.69,423 1.547,424 4.056,425 2.388,426 1.442,427 1.679,428 3.568,429 1.355,430 2.5,431 1.477,432 3.766,433 2.131,434 1.241,435 1.5,436 2.961,437 1.095,438 2.399,439 1.256,440 3.427,441 1.97,442 1,443 1.386,445 2.275,446 0.968,447 2.032,448 1.146,449 3.414,450 1.967,451 1,452 1,454 2.232,455 0.965,456 2,457 1,458 3.392,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.467,466 0.47,467 0.976,468 0.028,469 44.5,470 1.271,471 19.5,472 0.557,473 25,474 0.714,475 32.9,476 0.94,477 38.733,478 0.625,479 35.799,480 1.023,481 8.552,482 0.244,483 8.402,484 0.24,485 0.071,486 0.051,487 0.316,493 0.699,494 1.593,495 0.767,496 1.347,497 0.64,498 1.018,499 1.055,500 1.109,501 0.981,502 0.95,503 0.591,504 0.841,505 1.139,506 0.966,507 1.141,508 0.96,509 1.064,510 0.971,511 0.926,512 1.251,513 0.999,514 1.167,515 1.118,516 1.091,517 1.141,518 0.714,519 0.791,520 0.646,521 1.099,522 0.788,523 0.966,524 0.962,525 0.957,526 0.928,527 0.544,528 0.981,529 0.89,530 1.242,531 0.893,532 1.146,533 0.824,534 1.189,535 0.801,536 1.053,537 0.914,538 0.99,539 0.49,540 1.056,541 7.5,542 0.196,543 4,544 2.444,545 1.501,546 1.421,547 0.837,548 0.587,549 0.369,550 0.297,551 18778,552 53154,553 2.184,554 43.5,556 25,558 1,559 1,564 1.771,565 2.069,566 3.527,567 -0.26,573 109.085,574 1.759,575 3.803,576 4.732,577 5.168,578 5.168,579 5.168,580 2.952,581 4.651,582 5.097,583 3.765,584 2240.01,585 8.972,586 34343.3,591 369.16,592 1.437,593 5.068,594 0.188,595 0.006,596 0.068,597 0.042,598 0.027,599 0.026,600 0.015,601 0.011,602 0.007,603 0.007,604 0.398,605 0.33,606 0.63,607 0.597,608 187.789,609 0.053,610 -0.321,611 0.207,612 -0.174,613 -0.091,614 -0.029,615 -0.018,616 0.036,617 -0.012,618 0.053,619 0.22,620 0.087,621 -0.094,622 0.093,623 -0.151,624 0.049,625 -0.092,626 -0.013,627 -0.07,628 -0.253,629 -0.061,630 -0.171,631 -0.094,632 -0.088,633 -0.052,634 0.219,635 0.06,636 0.201,637 -0.108,638 0.161,639 -0.05,640 0.079,641 -0.093,642 0.025,643 -0.05,644 -0.009,645 -0.048,646 -0.177,647 -0.101,648 -0.206,649 -0.095,650 -0.216,651 0.087,652 -0.046,653 -0.032,654 -0.063,655 0.109,656 -0.083,657 4.077,658 4.824,659 0.857,660 39.378,661 1.015,662 1.135,663 0.797,664 0.636,665 0.663,666 3.714,667 4.094,668 4.394,669 4.71,670 4.963,671 5.142,672 5.384,673 5.591,674 5.737,675 5.943,676 7.405,677 0.637,678 497.64,679 3.714,680 5.293,681 6.168,682 7.076,683 7.967,684 8.879,685 9.779,686 10.694,687 11.599,688 12.515,689 11.3,692 2,695 1,697 1,699 3,703 4,704 5,705 3,706 1,707 1,709 4,711 20,726 1,731 62,733 22,734 1,735 40,737 67,738 23,739 13,740 3,741 3,746 6,747 8,761 13,762 10,766 2,769 1,771 2,780 1,781 27,782 10,783 1,784 12,785 1,790 7,794 0.667,795 4,803 1,806 1,811 2,812 4,815 2,836 1,839 1,840 4,842 1,844 1,848 35,852 1,854 9,856 1,859 3,870 6.5,873 2,874 1,875 1,877 16.917,878 11.45,879 7.333,880 3.711,881 3.989,882 1.457,883 1.034,884 5.986,885 12.708,886 3.97,887 4.64,888 5.227,889 5.887,890 6.436,891 6.916,892 7.469,893 7.993,894 8.352,895 8.832,896 0.875,897 58,898 13.152,900 5.93,901 7.736,902 25.143,904 21.647,905 2.236,906 78.25,910 306.049,911 108.863,912 74.664,914 64.82,916 5.807,917 103.055,918 370.869,919 74.664,920 7.19,921 23.925,922 43.712,923 117.318,924 53.216,925 14.757,926 294.278,928 306.049,929 177.719,930 64.82,931 5.807,933 308.377,934 53.82,935 11,937 56.422,938 68.735,939 56.042,941 306.049,942 139.484,943 108.863,945 5.807,946 306.049,947 48.912,948 61.91,949 16.663,950 115.054,951 306.049,952 139.484,953 108.863,955 0.595,956 0.344,957 0.188,958 0.101,959 32,960 13,961 0.075,962 5,963 2,964 1.133,965 4.541,966 358.098,967 0.133,968 30,969 169.525,973 1,974 22.889,975 9.154,976 4.549,977 3.314,978 122.821,979 9.721,980 14.016,981 3.009,982 6.313,984 3.088,986 16.663,987 554.396,988 52,991 -3.161,993 23.648,999 62.934,1000 70.398,1001 0.295,1002 0.639,1003 0.795,1004 0.868,1005 0.868,1006 0.868,1007 5.247,1008 1.743,1009 6.188,1010 5.727,1011 4.779,1012 5.328,1013 1.661,1014 7.06,1015 4.677,1016 6.484,1017 1.561,1018 7.785,1019 4.829,1020 4.511,1021 5.421,1022 0.57,1023 8.184,1024 4.353,1025 7.838,1026 1.546,1027 9.491,1028 4.645,1029 6.466,1030 7.679,1031 1.271,1032 11.253,1033 6.273,1034 9.235,1035 1.442,1036 11.262,1037 4.412,1038 7.022,1039 8.616,1040 0.581,1041 13.186,1042 6.778,1043 10.668,1044 1.241,1045 13.076,1046 3.568,1047 8.474,1048 10.396,1049 1.026,1050 15.815,1051 8.19,1052 12.128,1053 1,1054 14.919,1055 2.961,1056 9.382,1057 11.673,1058 0.515,1059 18.05,1060 9.051,1061 13.606,1062 1,1063 16.782,1064 2.275,1065 10.651,1066 13.286,1067 0.841,1068 20.542,1069 10.277,1070 3.314,1071 1,1072 18.661,1073 2.232,1074 11.711,1075 14.701,1076 0.441,1077 22.894,1078 11.29,1079 3.252,1080 11.657,1081 20.551,1082 2.136,1083 12.914,1084 16.252,1085 0.689,1086 25.342,1087 12.448,1088 3.06,1089 11.247,1090 22.451,1091 4.618,1092 14.039,1093 17.723,1094 0.373,1095 27.74,1096 13.526,1097 2.67,1098 10.64,1099 24.358,1100 4.51,1101 15.221,1102 19.25,1103 0.564,1104 30.175,1105 14.661,1106 2.479,1107 8.287,1108 26.27,1109 4.443,1110 16.375,1111 20.745,1112 0.314,1113 32.593,1114 15.766,1115 2.379,1116 7.774,1117 28.188,1118 3.382,1119 17.552,1120 22.264,1121 0.461,1122 35.025,1123 16.894,1124 1.954,1125 7.244,1126 30.109,1127 3.119,1128 18.719,1129 23.769,1130 0.264,1131 37.452,1132 18.011,1133 17221,1134 29135,1135 27.334,1136 41.12,1137 61.554,1138 62.698,1139 61.602,1140 61.554,1141 61.455,1142 79.593,1143 6.298,1144 185.247,1145 58.227,1146 5.743,1147 6.375,1148 6.913,1149 5.352,1150 5.314,1151 7.618,1152 1.776,1153 18.927,1154 5.147,1155 14.402,1156 1.539,1157 1.567,1158 1.54,1159 1.539,1160 1.536,1161 1.99,1162 0.157,1163 4.631,1164 1.456,1165 4.164,1166 4.194,1167 4.722,1168 4.043,1169 7.716,1170 4.058,1171 4.034,1172 4.061,1173 4.135,1174 3.957,1175 6.999,1176 3.908,1177 3.996,1178 3.994,1179 3.991,1180 3.874,1181 5.212,1182 3.825,1183 3.741,1184 3.791,1185 3.646,1186 3.531,1187 5.069,1188 3.541,1189 3.644,1190 3.677,1191 3.58,1192 3.466,1193 4.637,1194 3.449,1195 3.398,1196 3.459,1197 3.339,1198 3.198,1199 4.579,1200 3.221,1201 3.267,1202 3.326,1203 3.175,1204 3.109,1205 4.342,1206 3.114,1207 3.111,1208 3.206,1209 2.906,1210 2.941,1211 4.276,1212 2.91,1213 0.119,1214 0.109,1215 0.178,1216 0.106,1217 0.083,1218 4.743,1219 0.115,1220 4.375,1221 0.023,1222 7.111,1223 0.291,1224 4.249,1225 0.079,1226 3.314,1227 4.618,1228 0.916,1229 11.657,1230 3.147,1231 1.974,1232 1.951,1233 2.039,1234 2.085,1235 1.332,1236 2.069,1237 1.854,1238 1.843,1239 1.974,1240 2.044,1241 1.219,1242 2.067,1243 1.787,1244 1.75,1245 1.931,1246 1.969,1247 1.168,1248 1.961,1249 1.628,1250 1.604,1251 1.733,1252 1.801,1253 0.975,1254 1.824,1255 1.569,1256 1.533,1257 1.626,1258 1.778,1259 0.861,1260 1.774,1261 1.384,1262 1.355,1263 1.559,1264 1.622,1265 0.825,1266 1.599,1267 1.305,1268 1.231,1269 1.513,1270 1.59,1271 0.825,1272 1.575,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.748,1278 1.429,1279 4.394,1281 5.759,1282 3.045,1283 7.311,1284 5.352,1285 8.948,1286 7.424,1287 10.631,1289 1.259,1295 5.582,1297 5.552,1300 5.909,1305 39.464,1306 109.085,1307 235.802,1308 293.386,1309 320.405,1310 320.405,1311 320.405,1312 59.343,1313 8.719,1314 120.69,1315 129.07,1316 34,1317 13.028,1318 4.524,1319 3.7,1320 46.915,1321 156,1322 159,1323 0.147,1324 238.291,1325 398.25,1326 573.189,1327 77748,1329 23.993,1330 0.686,1331 0.58,1332 24.243,1333 20.292,1334 16.954,1335 0.424,1336 0.338,1337 11.605,1338 15.267,1339 11.235,1340 9.148,1341 17.848,1342 13.535,1343 16.324,1344 0.277,1345 0.186,1346 17.711,1347 10.955,1348 13.557,1349 0.169,1350 0.099,1351 14.313,1352 7.924,1353 11.866,1354 0.108,1355 0.051,1356 12.382,1357 5.582,1358 9.633,1359 0.068,1360 0.026,1361 10.001,1362 3.742,1363 0.23,1364 116.992,1365 0.191,1366 31.943,1367 0.409,1368 198,1369 610.006,1370 256.838,1371 594.77,1372 818.88,1373 556,1374 238,1375 590.577,1376 305.933,1377 621.57,1378 914.97,1379 583,1380 8.523}
{0 CHEMBL1949910,1 1.825,2 12.303,3 0.874,4 0.764,5 128.495,6 8.317,7 0.432,8 4.212,9 4.326,10 4.024,11 3.729,12 5.233,13 3.694,14 4.809,15 4.99,16 4.354,17 4.137,18 5.995,19 4.088,20 5.02,21 5.217,22 4.337,23 4.291,24 6.035,25 4.202,26 5.089,27 5.314,28 4.312,29 4.313,30 6.086,31 4.195,32 5.062,33 5.3,34 4.298,35 4.314,36 6.007,37 4.172,38 4.946,39 5.15,40 4.307,41 4.284,42 5.877,43 4.15,44 4.895,45 5.083,46 4.26,47 4.181,48 5.914,49 4.078,50 4.931,51 5.172,52 4.2,53 4.101,54 5.905,55 4.007,56 0.148,57 1.015,58 14.366,59 5.451,60 18.998,61 6.541,62 0.736,63 1.609,64 30.16,65 9.215,66 67.147,67 11.296,68 0.742,69 1.876,70 40.745,71 12.15,72 61.921,73 14.872,74 0.763,75 1.919,76 43.014,77 13.38,78 82.115,79 17.394,80 0.763,81 1.84,82 43.739,83 14.462,84 70.42,85 18.325,86 0.551,87 1.831,88 44.041,89 13.548,90 35.155,91 16.261,92 0.514,93 1.672,94 35.4,95 11.304,96 45.992,97 13.602,98 0.611,99 1.63,100 35.543,101 10,102 46.452,103 13.663,104 18,105 54,106 0.295,107 0.599,108 0.743,109 0.795,110 0.795,111 0.795,112 3.532,113 1.088,114 -2.12,115 -2.16,116 -2.15,119 33.9,124 1,125 9,142 1,143 2,145 2,147 1,149 1,150 1,152 1,161 1,163 1,164 1,165 1,172 1,174 6,175 8,177 2,178 2,183 2,186 2,187 5,198 5,199 4,204 1,207 2,209 1,211 4,212 1,220 1,223 4,224 7,226 2,227 2,236 1,237 6,249 1,250 4,252 1,253 1,255 2,260 2,262 7,263 2,268 1,273 1,275 1892,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 27.761,283 12.839,284 23.052,285 18.321,286 18.321,287 18.321,288 18.321,289 18.321,290 14.91,291 38.164,292 6.185,293 19.925,294 4.058,295 2.178,296 1.284,297 0.962,298 0.962,299 0.962,300 4.239,305 1,306 889,307 3.464,310 73.858,311 401.281,314 137.361,318 1.888,319 39.583,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 73,331 406,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.638,342 3.335,343 6.753,344 4.158,345 3.223,346 4.51,347 0.86,348 11.114,349 3.013,350 4.153,351 3.014,352 6.107,353 3.736,354 2.779,355 3.777,356 0.8,357 8.938,358 2.663,359 3.863,360 2.841,361 5.866,362 3.57,363 2.664,364 3.242,365 0.4,366 8.286,367 2.409,368 3.664,369 2.71,370 5.477,371 3.36,372 2.449,373 3.037,374 0.172,375 7.274,376 2.224,377 3.545,378 2.417,379 5.049,380 3.188,381 2.28,382 2.685,384 6.117,385 2.068,386 3.213,387 2.314,388 4.95,389 2.878,390 1.954,391 2.351,393 5.701,394 1.79,395 3.013,396 2.213,397 4.683,398 2.634,399 1.743,400 2.117,402 4.816,403 1.537,404 2.869,405 1.95,406 4.551,407 2.463,408 1.547,409 2.007,411 4.581,412 1.411,413 2.685,414 1.548,415 4.373,416 2.321,417 1.389,418 1.676,420 4.07,421 1.286,422 2.5,423 1.432,424 3.755,425 2.095,426 1.234,427 1.5,428 2.943,429 1.052,430 2.388,431 1.256,432 3.414,433 1.967,434 1,435 1.375,436 2.275,437 0.965,438 2,439 1.146,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.643,458 3.247,459 1.451,460 0.557,461 0.754,463 1.615,464 0.49,465 15.867,466 0.481,467 0.98,468 0.03,469 41.75,470 1.265,471 18,472 0.545,473 23.75,474 0.72,475 31.854,476 0.965,477 36.933,478 0.626,479 31.81,480 0.964,481 7.721,482 0.234,483 8.143,484 0.247,485 0.099,486 0.053,487 0.296,493 0.734,494 1.659,495 0.769,496 1.252,497 0.715,498 1.012,499 0.996,500 0.955,501 0.936,502 0.852,503 0.537,504 0.795,505 1.209,506 1.13,507 1.187,508 1.075,509 1.04,510 1.026,511 0.91,512 0.974,513 0.979,514 1.012,515 1.12,516 1.046,517 0.742,518 0.896,519 0.899,520 0.884,521 0.916,522 0.896,523 0.609,524 1.123,525 1.396,526 1.435,527 0.378,528 1.157,529 1.002,530 1.365,531 1.04,532 1.204,533 0.889,534 1.238,535 0.88,536 1.057,537 0.84,538 0.936,539 0.63,540 0.974,541 8,542 0.178,543 3.778,544 2.132,545 1.56,546 1.511,547 0.797,548 0.487,549 0.414,550 0.343,551 15712,552 47711,553 2.123,554 44.1,556 22,558 2,559 2,564 1.755,565 1.99,566 3.556,567 0.342,573 107.671,574 1.825,575 3.705,576 4.598,577 4.921,578 4.921,579 4.921,580 3.048,581 4.476,582 5.01,583 3.766,584 1988.53,585 8.795,586 29507.1,591 347.076,592 1.521,593 4.972,594 0.216,595 0.006,596 0.07,597 0.04,598 0.032,599 0.031,600 0.016,601 0.011,602 0.01,603 0.009,604 0.441,605 0.33,606 0.63,607 0.675,608 174.61,609 0.008,610 -0.382,611 0.177,612 -0.125,613 -0.125,614 -0.02,615 0.06,616 0.183,617 0.037,618 0.147,619 0.266,620 0.137,621 -0.216,622 -0.056,623 -0.173,624 -0.035,625 -0.099,626 -0.054,627 -0.047,628 0.022,629 -0.038,630 -0.028,631 -0.107,632 -0.045,633 0.06,634 0.06,635 0.096,636 0.153,637 -0.051,638 0.147,639 0.055,640 0.008,641 -0.162,642 -0.18,643 0.041,644 -0.093,645 -0.125,646 -0.285,647 -0.112,648 -0.196,649 -0.132,650 -0.257,651 -0.054,652 -0.046,653 0.055,654 -0.036,655 -0.004,656 -0.016,657 4.054,658 4.789,659 0.818,660 37.556,661 1.015,662 1.139,663 0.889,664 0.79,665 0.67,666 3.638,667 4.007,668 4.263,669 4.543,670 4.828,671 4.99,672 5.198,673 5.384,674 5.529,675 5.71,676 7.332,677 0.634,678 490.68,679 3.638,680 5.209,681 6.066,682 6.963,683 7.84,684 8.742,685 9.629,686 10.535,687 11.428,688 12.336,689 13.6,692 2,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 59,733 18,735 37,737 63,738 20,739 10,746 5,747 6,761 10,762 10,766 2,769 1,771 2,781 26,782 11,783 2,784 13,785 2,790 8,794 0.8,795 3,806 2,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 33,849 1,852 1,854 9,856 1,859 3,865 1,870 5.1,873 2,874 1,877 16.583,878 10.817,879 6.944,880 3.418,881 3.01,882 1.364,883 1.012,884 6.466,885 11.285,886 3.871,887 4.508,888 5.02,889 5.626,890 6.202,891 6.635,892 7.141,893 7.623,894 7.967,895 8.368,896 1,897 53,898 12.381,900 5.505,901 7.785,902 23.603,904 20.05,905 2.285,906 75.417,910 282.506,911 109.76,912 107.806,914 55.313,916 37.085,917 72.675,918 337.819,919 107.806,920 7.19,921 23.925,922 48.181,923 146.314,924 33.948,925 5.585,926 290.242,928 282.506,929 180.481,930 55.313,931 37.085,933 284.834,934 44.313,935 11,937 48.878,938 62.133,939 72.95,940 31.278,941 282.506,942 163.119,943 109.76,945 5.807,946 282.506,947 69.191,948 42.529,950 155.352,951 282.506,952 163.119,953 109.76,955 0.595,956 0.333,957 0.173,958 0.1,959 28,960 12,961 0.079,962 5,963 1,964 1.074,965 4.372,966 318.373,967 0.074,968 27,969 152.465,970 1,973 1,974 22.813,975 9.354,976 5.101,977 1.926,978 163.119,979 5.446,980 17.864,983 1.639,984 3.557,986 32.897,987 555.386,988 47,991 -3.137,993 23.578,999 59.902,1000 67.191,1001 0.31,1002 0.63,1003 0.782,1004 0.836,1005 0.836,1006 0.836,1007 5.147,1008 1.743,1009 6.089,1010 5.701,1011 4.691,1012 5.196,1013 1.661,1014 6.938,1015 4.531,1016 6.377,1017 1.547,1018 7.676,1019 4.816,1020 4.443,1021 5.293,1022 0.57,1023 8.044,1024 4.209,1025 7.725,1026 1.389,1027 9.369,1028 4.581,1029 6.365,1030 7.499,1031 1.271,1032 11.079,1033 6.062,1034 9.112,1035 1.234,1036 11.128,1037 4.07,1038 6.909,1039 8.412,1040 0.581,1041 12.996,1042 6.538,1043 10.535,1044 1,1045 12.93,1046 2.943,1047 8.35,1048 10.169,1049 1.026,1050 15.608,1051 7.913,1052 11.983,1053 1,1054 14.762,1055 2.275,1056 9.242,1057 11.419,1058 0.515,1059 17.838,1060 8.738,1061 13.451,1062 1,1063 16.617,1064 2.275,1065 10.506,1066 13.02,1067 0.841,1068 20.323,1069 9.935,1070 3.314,1071 0.557,1072 18.488,1073 2.136,1074 11.554,1075 14.415,1076 0.441,1077 22.676,1078 10.915,1079 3.223,1080 11.657,1081 20.374,1082 1.615,1083 12.754,1084 15.957,1085 0.689,1086 25.122,1087 12.047,1088 2.779,1089 11.114,1090 22.27,1091 4.577,1092 13.873,1093 17.416,1094 0.373,1095 27.524,1096 13.096,1097 2.664,1098 8.938,1099 24.174,1100 4.51,1101 15.054,1102 18.937,1103 0.564,1104 29.962,1105 14.207,1106 2.449,1107 8.286,1108 26.086,1109 3.777,1110 16.205,1111 20.424,1112 0.314,1113 32.384,1114 15.287,1115 2.28,1116 7.274,1117 28.004,1118 3.242,1119 17.381,1120 21.938,1121 0.461,1122 34.821,1123 16.393,1124 1.954,1125 6.117,1126 29.927,1127 3.037,1128 18.548,1129 23.438,1130 0.264,1131 37.253,1132 17.488,1133 14759,1134 25883,1135 24.849,1136 39.557,1137 56.322,1138 57.77,1139 56.929,1140 56.415,1141 56.366,1142 71.325,1143 6.298,1144 167.867,1145 51.782,1146 5.743,1147 6.375,1148 6.913,1149 5.393,1150 5.314,1151 7.577,1152 1.776,1153 18.903,1154 4.998,1155 16.004,1156 1.522,1157 1.561,1158 1.539,1159 1.525,1160 1.523,1161 1.928,1162 0.17,1163 4.537,1164 1.4,1165 4.105,1166 4.13,1167 4.722,1168 4.067,1169 7.716,1170 4.026,1171 4.003,1172 4,1173 4.333,1174 3.953,1175 6.999,1176 3.829,1177 3.813,1178 3.863,1179 3.823,1180 3.675,1181 5.245,1182 3.686,1183 3.735,1184 3.781,1185 3.666,1186 3.534,1187 5.011,1188 3.54,1189 3.636,1190 3.669,1191 3.595,1192 3.468,1193 4.616,1194 3.444,1195 3.301,1196 3.363,1197 3.331,1198 3.119,1199 4.577,1200 3.129,1201 3.111,1202 3.206,1203 2.98,1204 2.941,1205 4.362,1206 2.91,1207 3.111,1208 3.206,1209 2.881,1210 2.941,1211 4.186,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.124,1220 4.375,1221 0.025,1222 7.111,1223 0.315,1224 4.248,1225 0.083,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.892,1232 1.857,1233 1.98,1234 2.061,1235 1.335,1236 2.069,1237 1.853,1238 1.843,1239 1.956,1240 2.039,1241 1.219,1242 2.034,1243 1.716,1244 1.669,1245 1.855,1246 1.934,1247 0.996,1248 1.914,1249 1.612,1250 1.595,1251 1.706,1252 1.774,1253 0.942,1254 1.815,1255 1.556,1256 1.517,1257 1.597,1258 1.738,1259 0.84,1260 1.736,1261 1.397,1262 1.375,1263 1.513,1264 1.512,1265 0.825,1266 1.561,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.501,1276 1.376,1277 0.737,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.836,1286 6.843,1287 10.5,1289 1.268,1293 5.643,1295 6.051,1297 5.53,1300 6.052,1305 37.431,1306 107.671,1307 218.573,1308 271.302,1309 290.321,1310 290.321,1311 290.321,1312 58.125,1313 8.275,1314 130.67,1315 167.29,1316 29,1317 12.856,1318 4.248,1319 3.459,1320 47.716,1321 146,1322 141,1323 0.161,1324 233.763,1325 392.97,1326 562.143,1327 44798,1329 23.001,1330 0.697,1331 0.605,1332 23.605,1333 19.978,1334 15.864,1335 0.429,1336 0.363,1337 10.759,1338 13.804,1339 10.308,1340 8.401,1341 17.167,1342 13.417,1343 15.394,1344 0.285,1345 0.209,1346 17.45,1347 11.268,1348 12.298,1349 0.176,1350 0.117,1351 13.774,1352 8.161,1353 10.256,1354 0.11,1355 0.064,1356 11.675,1357 5.964,1358 8.624,1359 0.07,1360 0.034,1361 9.852,1362 4.223,1363 0.253,1364 113.965,1365 0.201,1366 30.586,1367 0.445,1368 182,1369 567.755,1370 264.336,1371 579.964,1372 788.91,1373 540,1374 215,1375 539.722,1376 300.635,1377 590.816,1378 865.28,1379 552,1380 9}
{0 CHEMBL1949911,1 1.703,2 7.958,3 2.625,4 6.892,5 94.087,6 8.652,7 0.714,8 3.826,9 3.932,10 3.587,11 3.427,12 4.909,13 3.404,14 4.365,15 4.515,16 3.965,17 3.83,18 5.405,19 3.795,20 4.525,21 4.717,22 3.924,23 3.888,24 5.497,25 3.828,26 4.522,27 4.731,28 3.949,29 3.864,30 5.522,31 3.805,32 4.499,33 4.707,34 3.925,35 3.884,36 5.501,37 3.791,38 4.468,39 4.641,40 3.922,41 3.935,42 5.402,43 3.803,44 4.437,45 4.619,46 3.822,47 3.807,48 5.384,49 3.676,50 4.291,51 4.511,52 3.297,53 3.548,54 5.156,55 3.415,56 0.06,57 0.648,58 6.623,59 3.408,60 5.73,61 3.857,62 0.258,63 1.08,64 15.339,65 5.887,66 15.927,67 6.466,68 0.289,69 1.209,70 18.951,71 7.22,72 18.501,73 8.671,74 0.255,75 1.262,76 18.82,77 6.572,78 21.792,79 8.376,80 0.35,81 1.211,82 18.679,83 7.161,84 27.614,85 8.761,86 0.182,87 1.176,88 22.393,89 8.611,90 15.232,91 9.269,92 0.31,93 1.111,94 24.662,95 8.408,96 18.748,97 9.199,98 0.133,99 0.878,100 16.369,101 6.679,102 14.876,103 8.529,105 40,106 0.297,107 0.674,108 0.797,109 0.833,110 0.833,111 0.833,112 3.231,113 0.941,114 -3.71,115 -3.68,116 -3.5,119 43.6,125 4,142 4,143 3,145 1,147 1,149 1,151 1,152 1,161 1,168 1,172 5,174 2,175 7,180 2,183 6,186 1,187 9,192 2,195 2,198 1,199 7,204 1,207 2,211 3,212 5,215 2,220 5,224 2,232 4,236 2,237 5,240 1,242 2,245 3,250 3,255 1,258 1,263 1,275 718,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 14.8,282 10.455,283 10.087,284 17.639,285 13.885,286 13.885,287 13.885,288 13.885,289 13.885,290 10.528,291 14.862,292 4.793,293 14.902,294 3.582,295 1.423,296 0.718,297 0.513,298 0.513,299 0.513,300 3.95,303 1,304 1,305 1,306 438,307 2,310 88.115,311 161.378,314 158.084,318 1.135,319 15.797,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 191,332 4.65,333 3.317,334 6.78,335 4.186,336 3.232,337 4.591,338 0.86,339 11.184,340 3.106,341 4.486,342 3.09,343 6.624,344 4.007,345 3.04,346 4.418,347 0.8,348 10.59,349 2.916,350 3.794,351 2.726,352 5.795,353 3.427,354 2.522,355 3.302,357 7.922,358 2.31,359 3.737,360 2.379,361 5.716,362 3.326,363 2.376,364 3.04,366 7.614,367 2.226,368 3.055,369 2.233,370 4.693,371 2.671,372 1.791,373 2.332,375 4.791,376 1.561,377 3.038,378 1.561,379 4.634,380 2.538,381 1.554,382 2.306,384 4.609,385 1.53,386 3.015,387 1.551,388 4.058,389 2.495,390 1.537,391 2.099,393 3.585,394 1.464,395 2.572,396 1.537,397 3.724,398 2.11,399 1.241,400 1.606,402 2.94,403 1.071,404 2.5,405 1.256,406 3.463,407 1.971,408 1.069,409 1.5,411 2.425,412 0.968,413 2.383,414 1.075,415 3.406,416 1.965,417 1,418 1.368,420 2.231,421 0.946,422 2.026,423 1,424 3.352,425 1.952,426 1,427 1,428 2.136,429 0.937,430 2,431 0.665,432 3.247,433 1.523,434 0.614,435 0.851,436 1.649,437 0.548,438 1.871,439 0.426,440 3.108,441 1.328,442 0.408,443 0.594,445 1.06,446 0.373,447 1.013,448 -0.295,449 2.702,450 0.538,451 -0.393,452 -0.507,454 -1.059,455 -0.36,456 0.846,457 -0.36,458 2.515,459 0.435,460 -0.515,461 -0.66,463 -1.312,464 -0.49,465 11.667,466 0.486,467 0.445,468 0.019,469 33.25,470 1.385,471 16.5,472 0.688,473 16.75,474 0.698,475 18.101,476 0.754,477 24.333,478 0.624,479 21.293,480 0.887,481 6.363,482 0.265,483 5.536,484 0.231,487 0.334,493 0.843,494 1.174,495 0.666,496 0.89,497 0.742,498 0.82,499 1.335,500 1.018,501 0.904,502 0.855,503 1.094,504 0.807,505 1.103,506 1.107,507 0.841,508 0.853,509 0.895,510 0.897,511 0.889,512 1.144,513 0.771,514 0.874,515 1.032,516 0.901,517 0.773,518 0.725,519 0.857,520 0.757,521 0.977,522 0.868,523 0.932,524 1.105,525 1.503,526 1.369,527 0.985,528 1.169,529 0.844,530 1.101,531 1.566,532 1.565,533 0.886,534 1.256,535 0.746,536 1.213,537 1.027,538 1.266,539 0.81,540 1.329,541 3,542 0.005,543 2.667,544 1.25,545 0.949,546 0.74,547 0.427,548 0.23,549 0.076,550 0.036,551 6396,552 16948,553 2.289,554 38.5,556 12,557 1,558 1,559 1,564 1.676,565 2.25,566 3.015,567 -0.26,568 1,569 1,571 1,573 66.431,574 1.703,575 3.862,576 4.567,577 4.773,578 4.773,579 4.773,580 2.44,581 3.939,582 4.561,583 3.135,584 865.222,585 7.905,586 9762.78,587 1,588 1,589 1,590 1,591 206.131,592 0.918,593 4.557,594 0.107,595 0.002,596 0.067,597 0.032,598 0.025,599 0.021,600 0.013,601 0.008,602 0.004,603 0.004,604 0.281,605 0.5,606 0.88,608 110.808,609 0.011,610 -0.095,611 0.077,612 -0.005,613 0.037,614 0.014,615 -0.157,616 0.041,617 -0.018,618 0.072,619 -0.102,620 0.058,621 -0.091,622 -0.121,624 0.036,625 0.036,626 0.03,627 -0.054,628 -0.111,629 0.071,630 -0.008,631 -0.026,632 0.016,633 0.096,634 0.305,635 0.06,636 0.173,637 0.045,638 0.074,639 -0.144,640 -0.069,641 -0.225,642 -0.151,643 -0.168,644 -0.164,645 0.119,646 -0.093,647 -0.219,648 -0.32,649 0.001,650 -0.232,651 0.001,652 -0.348,653 -0.171,654 -0.333,655 -0.019,656 -0.297,657 0.918,658 1.982,659 1,660 15.931,661 1.008,662 1.12,663 2.482,664 6.159,665 0.716,666 3.367,667 3.714,668 4.078,669 4.419,670 4.644,671 4.787,672 5.011,673 5.176,674 5.226,675 5.313,676 5.036,677 0.683,678 337.44,679 3.367,680 4.92,681 5.808,682 6.711,683 7.614,684 8.524,685 9.434,686 10.347,687 11.259,688 12.174,689 12.8,695 1,697 1,699 3,703 4,704 6,705 3,706 1,708 1,709 3,711 20,726 1,731 39,733 20,734 1,735 28,737 43,738 17,739 13,740 3,741 3,746 5,747 7,761 13,762 4,777 1,778 1,781 15,782 5,783 1,784 7,785 1,790 5,794 0.6,795 1,803 1,806 1,811 2,812 3,815 2,839 1,840 3,842 1,848 24,854 4,856 1,859 1,865 1,870 2.6,874 1,877 10.667,878 7.133,879 5.167,880 2.372,881 4.02,882 1.519,883 1.077,884 3.457,885 11.765,886 3.664,887 4.337,888 5.055,889 5.75,890 6.287,891 6.754,892 7.297,893 7.799,894 8.096,895 8.542,896 1,897 39,898 8.851,900 3.859,901 7.521,902 17.275,904 14.746,905 2.021,906 48.5,910 164.795,911 114.724,912 70.021,914 11,916 31.278,917 83.446,918 175.795,919 70.021,921 13.396,922 45.554,923 73.322,924 39.494,925 16.243,926 172.531,928 164.795,929 153.467,930 11,931 31.278,933 167.123,935 11,937 39.424,938 61.482,939 50.234,940 31.278,941 164.795,942 81.021,943 114.724,946 164.795,947 60.122,948 57.726,949 16.663,950 61.234,951 164.795,952 81.021,953 114.724,955 0.58,956 0.356,957 0.211,958 0.11,959 23,960 8,961 0.047,962 2,963 2,964 1.167,965 3.66,966 217.53,967 0.167,968 24,969 106.039,970 1,974 14.316,975 5.796,976 2.412,977 4.17,978 64.358,979 12.083,980 13.867,981 3.01,983 1.649,984 2.754,986 16.663,987 360.54,988 38,999 39.331,1000 43.697,1001 0.322,1002 0.731,1003 0.864,1004 0.903,1005 0.903,1006 0.903,1007 4.898,1008 1.241,1009 5.784,1010 3.585,1011 4.394,1012 5.024,1013 1.235,1014 6.64,1015 4.269,1016 6.113,1017 1.069,1018 7.358,1019 2.94,1020 3.892,1021 4.856,1022 0.325,1023 7.609,1024 3.744,1025 7.435,1026 1,1027 9.039,1028 2.425,1029 6.014,1030 7.352,1031 0.938,1032 10.777,1033 5.795,1034 8.803,1035 1,1036 10.787,1037 2.231,1038 6.431,1039 8.131,1040 0.268,1041 12.614,1042 6.194,1043 10.211,1044 0.614,1045 12.577,1046 2.136,1047 7.952,1048 10.024,1049 0.732,1050 15.271,1051 7.658,1052 11.647,1053 0.408,1054 14.395,1055 1.649,1056 8.779,1057 11.217,1058 0.188,1059 17.437,1060 8.463,1061 13.103,1062 -0.393,1063 16.233,1064 1.06,1065 10.067,1066 12.878,1067 0.57,1068 19.926,1069 9.704,1070 3.232,1071 -0.515,1072 18.085,1073 -1.059,1074 11.076,1075 14.252,1076 0.125,1077 22.224,1078 10.685,1079 3.04,1080 11.184,1081 19.947,1082 -1.312,1083 12.275,1084 15.821,1085 0.438,1086 24.654,1087 11.842,1088 2.522,1089 10.59,1090 21.817,1091 4.591,1092 13.365,1093 17.273,1094 0.082,1095 27.008,1096 12.899,1097 2.376,1098 7.922,1099 23.692,1100 4.418,1101 14.532,1102 18.806,1103 0.334,1104 29.417,1105 14.027,1106 1.791,1107 7.614,1108 25.572,1109 3.302,1110 15.657,1111 20.291,1112 0.054,1113 31.795,1114 15.116,1115 1.554,1116 4.791,1117 27.457,1118 3.04,1119 16.814,1120 21.81,1121 0.252,1122 34.197,1123 16.235,1124 1.537,1125 4.609,1126 29.344,1127 2.332,1128 17.955,1129 23.309,1130 0.035,1131 36.587,1132 17.339,1133 5792,1134 9563,1135 19.879,1136 27.938,1137 42.968,1138 42.92,1139 42.913,1140 42.762,1141 42.77,1142 58.009,1143 3.32,1144 125.472,1145 39.912,1146 5.65,1147 5.317,1148 6.582,1149 5.297,1150 5.232,1151 7.591,1152 1.72,1153 18.445,1154 5.106,1156 1.535,1157 1.533,1158 1.533,1159 1.527,1160 1.527,1161 2.072,1162 0.119,1163 4.481,1164 1.425,1165 4.144,1166 4.178,1167 4.317,1168 4.073,1169 5.13,1170 4.061,1171 3.995,1172 4.025,1173 4.051,1174 3.943,1175 4.979,1176 3.918,1177 3.718,1178 3.766,1179 3.672,1180 3.522,1181 4.611,1182 3.525,1183 3.387,1184 3.451,1185 3.399,1186 3.204,1187 4.419,1188 3.221,1189 3.22,1190 3.271,1191 3.204,1192 3.095,1193 4.254,1194 3.09,1195 3.111,1196 3.206,1197 2.955,1198 2.941,1199 3.987,1200 2.91,1201 2.95,1202 3,1203 2.866,1204 2.8,1205 3.646,1206 2.782,1207 2.741,1208 2.815,1209 2.645,1210 2.551,1211 3.531,1212 2.55,1213 0.166,1214 0.118,1215 0.242,1216 0.15,1217 0.115,1218 4.65,1219 0.164,1220 3.317,1221 0.031,1222 6.78,1223 0.399,1224 4.186,1225 0.111,1226 3.232,1227 4.591,1228 0.86,1229 11.184,1230 3.106,1231 1.975,1232 1.952,1233 2.038,1234 2.078,1235 1.226,1236 2.066,1237 1.801,1238 1.765,1239 1.937,1240 1.968,1241 1.168,1242 1.963,1243 1.587,1244 1.542,1245 1.728,1246 1.781,1247 0.886,1248 1.767,1249 1.384,1250 1.374,1251 1.513,1252 1.623,1253 0.825,1254 1.583,1255 1.297,1256 1.228,1257 1.468,1258 1.418,1259 0.586,1260 1.478,1261 1.153,1262 1.064,1263 1.345,1264 1.376,1265 0.411,1266 1.429,1267 1.02,1268 0.968,1269 1.221,1270 1.187,1271 0.294,1272 1.208,1273 0.831,1274 0.788,1275 1.063,1276 1.092,1277 0.233,1278 1.081,1279 4.043,1281 5.38,1282 3.045,1283 6.925,1284 5.283,1285 8.567,1286 7.298,1287 10.263,1295 3.194,1297 5.482,1300 2.291,1305 26.643,1306 66.431,1307 150.621,1308 178.131,1309 186.131,1310 186.131,1311 186.131,1312 24.778,1313 7.745,1314 66.93,1315 95.17,1316 28,1317 12.687,1318 4.392,1319 3.459,1320 30.077,1321 73,1322 69,1323 0.206,1324 162.553,1325 258.44,1326 388.389,1327 23930,1329 15.933,1330 0.664,1331 0.571,1332 16.286,1333 13.714,1334 11.899,1335 0.425,1336 0.314,1337 7.852,1338 10.923,1339 7.657,1340 6.247,1341 12.353,1342 8.784,1343 10.598,1344 0.265,1345 0.166,1346 11.181,1347 6.641,1348 9.689,1349 0.167,1350 0.089,1351 10.313,1352 5.148,1353 8.788,1354 0.107,1355 0.048,1356 9.515,1357 3.898,1358 7.002,1359 0.068,1360 0.024,1361 7.588,1362 2.522,1363 0.309,1364 79.281,1365 0.224,1366 22.751,1367 0.61,1368 136,1369 381.509,1370 171.459,1371 389.254,1372 550.59,1373 370,1374 166,1375 405.586,1376 198.549,1377 423.129,1378 630.31,1379 400,1380 7.328}
{0 CHEMBL1949912,1 1.778,2 8.455,3 0.977,4 0.955,5 85.383,6 8.734,7 0.64,8 3.743,9 3.858,10 3.503,11 3.286,12 4.876,13 3.276,14 4.268,15 4.432,16 3.871,17 3.663,18 5.388,19 3.637,20 4.411,21 4.608,22 3.82,23 3.713,24 5.453,25 3.668,26 4.392,27 4.615,28 3.794,29 3.688,30 5.436,31 3.624,32 4.339,33 4.542,34 3.79,35 3.744,36 5.286,37 3.643,38 4.358,39 4.53,40 3.81,41 3.761,42 5.388,43 3.635,44 4.316,45 4.527,46 3.516,47 3.515,48 5.327,49 3.396,50 4.089,51 4.376,52 3.031,53 3.086,54 5.016,55 2.976,56 0.075,57 0.63,58 6.169,59 2.996,60 7.468,61 3.374,62 0.352,63 0.993,64 14.679,65 5.164,66 23.314,67 5.787,68 0.348,69 1.084,70 17.189,71 5.856,72 22.282,73 7.125,74 0.387,75 1.086,76 17.204,77 5.413,78 30.685,79 7.102,80 0.239,81 1.009,82 16.131,83 6.595,84 16.285,85 8.227,86 0.276,87 1.072,88 21.666,89 7.545,90 18.435,91 8.303,92 0.303,93 0.903,94 20.211,95 6.545,96 24.204,97 7.581,98 0.306,99 0.65,100 15.477,101 4.219,102 25.7,103 5.904,104 2,105 35,106 0.32,107 0.691,108 0.791,109 0.791,110 0.791,111 0.791,112 3.148,113 0.942,114 -2.96,115 -2.96,116 -2.86,119 38.9,125 4,142 1,143 2,145 2,147 1,149 1,150 1,151 1,161 1,163 1,164 1,165 1,172 1,174 3,175 8,177 2,178 2,183 2,186 1,187 3,198 5,199 3,204 1,207 2,209 1,211 1,212 1,220 1,223 2,224 5,226 2,227 2,236 1,237 4,252 1,253 1,255 2,260 2,262 2,268 1,273 1,275 576,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 13.617,283 9.113,284 16.025,285 12.38,286 12.38,287 12.38,288 12.38,289 12.38,290 9.63,291 17.362,292 4.366,293 13.552,294 3.392,295 1.333,296 0.778,297 0.778,298 0.778,299 0.778,300 3.85,304 1,305 1,306 414,307 1.871,310 44.836,311 167.604,314 79.227,318 1.182,319 18.419,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48,331 186,332 4.603,333 3.304,334 6.731,335 4.13,336 3.193,337 4.529,338 0.86,339 11.011,340 2.993,341 4.132,342 2.843,343 6.104,344 3.72,345 2.761,346 3.758,347 0.8,348 8.921,349 2.65,350 3.738,351 2.667,352 5.765,353 3.402,354 2.504,355 3.108,357 7.807,358 2.246,359 3.654,360 2.352,361 5.045,362 3.179,363 2.27,364 3.022,366 6.092,367 2.061,368 3.015,369 2.233,370 4.679,371 2.67,372 1.791,373 2.182,375 4.788,376 1.56,377 2.963,378 1.556,379 4.396,380 2.433,381 1.49,382 2.092,384 4.213,385 1.399,386 2.545,387 1.511,388 3.71,389 2.097,390 1.236,391 1.567,393 2.921,394 1.057,395 2.5,396 1.256,397 3.452,398 1.952,399 1.048,400 1.5,402 2.388,403 0.946,404 2.378,405 1.055,406 3.414,407 1.945,408 1,409 1.364,411 2.275,412 0.92,413 2,414 1,415 3.333,416 1.917,417 1,418 1,420 2.136,421 0.916,422 1.938,423 0.618,424 3.247,425 1.413,426 0.547,427 0.747,428 1.49,429 0.465,430 1.166,431 -0.052,432 2.708,433 0.74,434 -0.171,435 -0.217,436 -0.385,437 -0.155,438 0.902,439 -0.299,440 2.555,441 0.478,442 -0.434,443 -0.525,445 -1.151,446 -0.393,447 0.576,448 -0.36,449 2.182,450 0.1,451 -0.825,452 -1,454 -2.085,455 -0.758,456 0.5,457 -0.741,458 2,459 -0.023,460 -0.949,461 -1.011,463 -2.347,464 -0.846,465 10.567,466 0.48,467 0.448,468 0.02,469 31,470 1.409,471 15,472 0.682,473 16,474 0.727,475 15.561,476 0.707,477 23.033,478 0.64,479 19.506,480 0.887,481 5.894,482 0.268,483 4.915,484 0.223,485 0.038,487 0.322,493 0.982,494 1.404,495 0.686,496 0.957,497 1.007,498 0.857,499 1.225,500 0.892,501 0.893,502 0.828,503 0.798,504 0.78,505 1.189,506 1.193,507 0.868,508 0.867,509 0.851,510 0.907,511 0.828,512 0.798,513 0.823,514 0.782,515 0.989,516 0.883,517 0.621,518 0.962,519 0.778,520 0.88,521 0.62,522 0.923,523 0.722,524 1.148,525 1.594,526 1.641,527 0.663,528 1.335,529 1.031,530 1.291,531 1.362,532 1.481,533 1.045,534 1.341,535 1.109,536 0.815,537 0.787,538 0.755,539 1.231,540 0.905,541 3.5,542 0.025,543 2.444,544 0.938,545 1.008,546 0.83,547 0.361,548 0.14,549 0.161,550 0.087,551 4914,552 14419,553 2.205,554 38.9,556 9,557 1,558 2,559 2,564 1.65,565 2.129,566 3.06,567 0.438,569 1,571 1,573 64.002,574 1.778,575 3.837,576 4.392,577 4.392,578 4.392,579 4.392,580 2.465,581 3.789,582 4.43,583 3.152,584 728.018,585 7.639,586 7745.67,587 1,588 1,591 186.117,592 1.143,593 4.418,594 0.14,595 0.008,596 0.07,597 0.028,598 0.033,599 0.027,600 0.012,601 0.007,602 0.012,603 0.011,604 0.347,605 0.5,606 1,607 0.405,608 99.081,609 -0.132,610 -0.267,611 0.063,612 -0.034,613 -0.13,614 0.003,615 -0.054,616 0.184,617 0.019,618 0.126,619 0.105,620 0.101,621 -0.161,622 -0.196,623 -0.025,624 0.018,625 0.013,626 0.01,627 0.014,628 0.233,629 0.031,630 0.088,631 -0.069,632 0.037,633 0.072,634 0.01,635 0.143,636 0.127,637 0.052,638 0.095,639 0.069,640 -0.072,641 -0.287,642 -0.357,643 0.074,644 -0.311,645 -0.03,646 -0.338,647 -0.231,648 -0.39,649 -0.112,650 -0.332,651 -0.073,652 0.017,653 0.118,654 0.083,655 -0.119,656 0.108,657 1.422,658 1.926,659 0.955,660 14.942,661 1.015,662 1.133,663 1.725,664 2.977,665 0.7,666 3.258,667 3.584,668 3.892,669 4.19,670 4.454,671 4.564,672 4.727,673 4.852,674 4.89,675 4.905,676 4.974,677 0.67,678 314.41,679 3.258,680 4.796,681 5.659,682 6.544,683 7.428,684 8.322,685 9.215,686 10.113,687 11.011,688 11.912,689 16.7,693 1,695 1,699 4,703 2,704 4,705 4,708 1,709 4,711 16,722 1,726 1,731 36,733 16,735 25,737 39,738 14,739 10,746 4,747 5,761 10,762 4,777 1,778 1,781 14,782 7,783 2,784 8,785 1,790 6,794 0.75,795 1,806 2,811 1,812 3,815 1,839 1,840 3,842 1,848 22,849 1,854 4,856 1,859 1,865 1,870 2.8,874 1,877 10.333,878 6.5,879 4.778,880 2.079,881 3.054,882 1.425,883 1.034,884 3.601,885 10.236,886 3.526,887 4.155,888 4.803,889 5.445,890 6.01,891 6.414,892 6.893,893 7.335,894 7.604,895 7.945,896 0.833,897 34,898 8.084,900 3.453,901 7.652,902 15.532,904 12.833,905 2.152,906 47.333,910 141.253,911 92.524,912 103.164,914 11,916 31.278,917 61.247,918 152.253,919 103.164,921 13.396,922 50.023,923 102.001,924 29.306,925 15.998,926 137.218,928 141.253,929 164.41,930 11,931 31.278,933 143.581,935 11,937 33.707,938 61.233,939 67.142,940 31.278,941 141.253,942 114.164,943 92.524,946 141.253,947 57.304,948 38.344,950 111.039,951 141.253,952 114.164,953 92.524,955 0.579,956 0.34,957 0.19,958 0.109,959 19,960 7,961 0.051,962 2,963 1,964 1.095,965 3.47,966 183.032,967 0.095,968 21,969 90.107,970 1,974 13.794,975 5.744,976 2.655,977 2.037,978 114.164,979 7.404,980 17.405,983 1.603,984 2.575,986 32.897,987 347.941,988 33,999 36.549,1000 40.78,1001 0.344,1002 0.742,1003 0.85,1004 0.85,1005 0.85,1006 0.85,1007 4.754,1008 1.048,1009 5.631,1010 2.921,1011 4.263,1012 4.84,1013 1.235,1014 6.447,1015 4.097,1016 5.953,1017 1,1018 7.185,1019 2.388,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.562,1025 7.26,1026 1,1027 8.841,1028 2.275,1029 5.849,1030 7.092,1031 0.938,1032 10.48,1033 5.552,1034 8.607,1035 0.547,1036 10.562,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.247,1042 5.889,1043 9.992,1044 -0.171,1045 12.324,1046 1.49,1047 7.734,1048 9.675,1049 0.732,1050 14.883,1051 7.323,1052 11.402,1053 -0.434,1054 14.115,1055 -0.385,1056 8.506,1057 10.779,1058 0.188,1059 17.002,1060 8.058,1061 12.832,1062 -0.825,1063 15.927,1064 -1.151,1065 9.79,1066 12.445,1067 0.57,1068 19.471,1069 9.268,1070 3.193,1071 -0.949,1072 17.754,1073 -2.085,1074 10.756,1075 13.756,1076 0.125,1077 21.741,1078 10.189,1079 2.761,1080 11.011,1081 19.593,1082 -2.347,1083 11.947,1084 15.324,1085 0.438,1086 24.155,1087 11.312,1088 2.504,1089 8.921,1090 21.442,1091 4.529,1092 13.007,1093 16.735,1094 0.082,1095 26.491,1096 12.318,1097 2.27,1098 7.807,1099 23.298,1100 3.758,1101 14.164,1102 18.262,1103 0.334,1104 28.888,1105 13.409,1106 1.791,1107 6.092,1108 25.16,1109 3.108,1110 15.269,1111 19.722,1112 0.054,1113 31.255,1114 14.455,1115 1.49,1116 4.788,1117 27.028,1118 3.022,1119 16.416,1120 21.234,1121 0.252,1122 33.647,1123 15.538,1124 1.236,1125 4.213,1126 28.9,1127 2.182,1128 17.544,1129 22.718,1130 0.035,1131 36.029,1132 16.603,1133 4614,1134 8031,1135 17.394,1136 25.182,1137 37.891,1138 37.868,1139 38.155,1140 37.653,1141 37.676,1142 49.736,1143 3.32,1144 108.083,1145 34.425,1146 5.603,1147 5.304,1148 6.533,1149 5.238,1150 5.193,1151 7.529,1152 1.72,1153 18.221,1154 4.879,1155 6.007,1156 1.516,1157 1.515,1158 1.526,1159 1.506,1160 1.507,1161 1.989,1162 0.133,1163 4.323,1164 1.377,1165 4.078,1166 4.105,1167 4.313,1168 4.038,1169 5.245,1170 4,1171 3.806,1172 3.859,1173 3.818,1174 3.665,1175 5.018,1176 3.676,1177 3.716,1178 3.762,1179 3.66,1180 3.521,1181 4.616,1182 3.525,1183 3.256,1184 3.318,1185 3.325,1186 3.066,1187 4.581,1188 3.08,1189 3.111,1190 3.206,1191 2.978,1192 2.941,1193 4.271,1194 2.91,1195 2.986,1196 3.064,1197 2.866,1198 2.778,1199 3.981,1200 2.775,1201 2.807,1202 2.898,1203 2.69,1204 2.549,1205 3.962,1206 2.556,1207 2.679,1208 2.776,1209 2.56,1210 2.423,1211 3.546,1212 2.442,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.603,1219 0.181,1220 3.304,1221 0.034,1222 6.731,1223 0.44,1224 4.13,1225 0.12,1226 3.193,1227 4.529,1228 0.86,1229 11.011,1230 2.993,1231 1.891,1232 1.855,1233 1.966,1234 2.059,1235 1.219,1236 2.034,1237 1.714,1238 1.664,1239 1.855,1240 1.934,1241 0.949,1242 1.914,1243 1.565,1244 1.52,1245 1.693,1246 1.759,1247 0.825,1248 1.741,1249 1.37,1250 1.365,1251 1.513,1252 1.439,1253 0.771,1254 1.491,1255 1.153,1256 1.064,1257 1.367,1258 1.376,1259 0.566,1260 1.429,1261 0.993,1262 0.923,1263 1.209,1264 1.264,1265 0.233,1266 1.28,1267 0.744,1268 0.673,1269 1.053,1270 1.087,1272 1.078,1273 0.618,1274 0.524,1275 0.921,1276 0.912,1278 0.918,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.398,1286 6.605,1287 10.068,1293 5.542,1295 3.102,1297 5.426,1300 2.238,1305 24.138,1306 64.002,1307 138.117,1308 158.117,1309 158.117,1310 158.117,1311 158.117,1312 23.389,1313 7.182,1314 90.05,1315 118.29,1316 23,1317 12.434,1318 4.087,1319 3.17,1320 29.704,1321 66,1322 71,1323 0.228,1324 150.891,1325 243.44,1326 359.934,1327 11480,1329 14.941,1330 0.679,1331 0.572,1332 15.295,1333 12.584,1334 10.81,1335 0.432,1336 0.314,1337 6.907,1338 9.799,1339 6.731,1340 5.499,1341 11.264,1342 7.849,1343 9.668,1344 0.276,1345 0.167,1346 10.252,1347 5.834,1348 8.431,1349 0.176,1350 0.091,1351 9.055,1352 4.352,1353 7.178,1354 0.11,1355 0.049,1356 7.905,1357 3.197,1358 5.993,1359 0.071,1360 0.025,1361 6.584,1362 2.118,1363 0.344,1364 72.988,1365 0.24,1366 21.261,1367 0.67,1368 120,1369 368.134,1370 156.985,1371 374.347,1372 520.56,1373 354,1374 143,1375 375.262,1376 176.131,1377 392.105,1378 580.23,1379 369,1380 8.046}
{0 CHEMBL1949913,1 1.653,2 11.3,3 1.3,4 1.689,5 119.853,6 7.618,7 0.471,8 4.151,9 4.285,10 3.789,11 3.639,12 5.164,13 3.615,14 4.736,15 4.943,16 4.18,17 4.057,18 5.7,19 4.01,20 4.931,21 5.147,22 4.171,23 4.212,24 5.825,25 4.114,26 5.02,27 5.288,28 4.153,29 4.224,30 5.847,31 4.084,32 4.923,33 5.176,34 4.192,35 4.225,36 5.733,37 4.082,38 4.833,39 5.015,40 4.227,41 4.222,42 5.778,43 4.095,44 4.854,45 5.066,46 4.102,47 4.114,48 5.775,49 4.013,50 4.856,51 5.104,52 3.92,53 4.004,54 5.739,55 3.907,56 0.035,57 0.944,58 12.522,59 4.709,60 8.222,61 6.495,62 0.46,63 1.503,64 26.908,65 7.724,66 29.656,67 10.879,68 0.414,69 1.745,70 34.407,71 10.515,72 29.579,73 14.843,74 0.463,75 1.776,76 38.378,77 12.05,78 39.59,79 17.604,80 0.366,81 1.679,82 38.494,83 12.669,84 28.756,85 16.77,86 0.37,87 1.706,88 38.181,89 11.904,90 27.746,91 14.771,92 0.313,93 1.587,94 33.117,95 10.135,96 28.197,97 13.89,98 0.41,99 1.507,100 32.275,101 8.544,102 33.12,103 12.93,104 5,105 48,106 0.272,107 0.577,108 0.726,109 0.77,110 0.793,111 0.793,112 3.441,113 0.979,114 -2.91,115 -2.92,116 -2.82,119 35.7,124 1,125 9,142 1,143 2,145 2,147 1,149 1,150 1,152 1,161 1,163 1,164 1,165 1,172 1,174 3,175 8,177 2,178 2,183 2,186 2,187 5,198 5,199 4,204 1,207 2,209 1,211 2,212 1,220 1,223 4,224 7,226 2,227 2,236 1,237 6,249 1,252 1,253 1,255 2,260 2,262 7,268 1,273 1,275 1460,276 20.618,277 20.618,278 20.618,279 20.618,280 20.618,281 18.828,282 26.272,283 12.208,284 21.553,285 16.846,286 16.846,287 16.846,288 16.846,289 16.846,290 14.046,291 35.805,292 5.917,293 18.371,294 4.154,295 2.295,296 1.389,297 1.121,298 0.978,299 0.978,300 4.154,304 1,305 1,306 752,307 2.449,310 63.8,311 349.261,314 117.941,318 1.7,319 22.69,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65,331 339,332 4.638,333 3.336,334 6.753,335 4.158,336 3.224,337 4.577,338 0.916,339 11.114,340 3.014,341 4.153,342 3.039,343 6.107,344 3.738,345 2.782,346 3.777,347 0.86,348 8.938,349 2.663,350 3.866,351 2.846,352 5.866,353 3.607,354 2.692,355 3.242,356 0.8,357 8.29,358 2.458,359 3.666,360 2.763,361 5.504,362 3.439,363 2.533,364 3.037,365 0.8,366 7.349,367 2.286,368 3.607,369 2.531,370 5.08,371 3.204,372 2.297,373 2.707,374 0.172,375 6.177,376 2.08,377 3.314,378 2.359,379 5.035,380 3.07,381 2.151,382 2.46,384 6.02,385 1.97,386 3.015,387 2.261,388 4.778,389 2.749,390 1.852,391 2.125,393 5.273,394 1.652,395 2.984,396 1.981,397 4.672,398 2.603,399 1.701,400 2.061,402 4.795,403 1.518,404 2.825,405 1.548,406 4.374,407 2.338,408 1.4,409 1.916,411 4.081,412 1.307,413 2.5,414 1.432,415 3.755,416 2.095,417 1.234,418 1.5,420 2.944,421 1.052,422 2.388,423 1.256,424 3.414,425 1.967,426 1,427 1.376,428 2.275,429 0.965,430 2,431 1.146,432 3.414,433 1.952,434 1,435 1,436 2.275,437 0.946,438 2,439 1,440 3.399,441 1.917,442 1,443 1,445 2.136,446 0.916,447 1.94,448 0.642,449 3.247,450 1.454,451 0.558,452 0.754,454 1.615,455 0.491,456 1.274,457 0.382,458 2.944,459 1.094,460 0.167,461 0.178,463 0.41,464 0.154,465 14.367,466 0.479,467 0.691,468 0.023,469 37,470 1.233,471 15,472 0.5,473 22,474 0.733,475 28.132,476 0.938,477 33.033,478 0.59,479 26.277,480 0.876,481 7.061,482 0.235,483 7.592,484 0.253,485 0.063,487 0.327,493 0.976,494 1.641,495 0.756,496 1.135,497 0.943,498 1.016,499 1.368,500 0.885,501 0.874,502 0.722,503 0.772,504 0.753,505 1.086,506 1.202,507 1.105,508 1.118,509 0.794,510 1.079,511 0.609,512 0.899,513 0.802,514 0.905,515 0.739,516 0.932,517 0.627,518 0.897,519 1.005,520 0.973,521 0.592,522 0.816,523 0.767,524 1.269,525 1.703,526 1.724,527 0.747,528 1.295,529 1.027,530 1.377,531 1.193,532 1.342,533 1.051,534 1.193,535 1.179,536 1.138,537 1.12,538 1.093,539 1.193,540 1.09,541 6,542 0.119,543 2.889,544 1.632,545 1.44,546 1.212,547 0.756,548 0.362,549 0.378,550 0.209,551 12061,552 29180,553 2.186,554 46.4,556 22,558 2,559 2,564 1.734,565 2.093,566 3.444,567 0.309,569 1,573 92.562,574 1.653,575 3.513,576 4.419,577 4.687,578 4.83,579 4.83,580 2.911,581 4.215,582 4.872,583 3.59,584 1561.78,585 8.532,586 21330.1,588 1,591 325.212,592 1.231,593 4.859,594 0.176,595 0.005,596 0.06,597 0.035,598 0.033,599 0.026,600 0.016,601 0.009,602 0.01,603 0.007,604 0.378,605 0.33,606 0.88,607 0.424,608 152.747,609 -0.059,610 -0.385,611 0.091,612 -0.099,613 -0.025,614 -0.029,615 -0.107,616 0.246,617 0.091,618 0.239,619 0.144,620 0.175,621 -0.103,622 -0.124,623 -0.106,624 -0.08,625 0.031,626 -0.092,627 0.129,628 0.069,629 0.154,630 0.085,631 0.098,632 0.077,633 0.1,634 0.114,635 0.191,636 0.221,637 0.107,638 0.246,639 0.083,640 -0.057,641 -0.247,642 -0.305,643 0.053,644 -0.225,645 -0.043,646 -0.296,647 -0.122,648 -0.249,649 -0.093,650 -0.194,651 -0.152,652 -0.105,653 -0.169,654 -0.165,655 -0.183,656 -0.148,657 1.418,658 2.049,659 0.9,660 31.689,661 1.003,662 1.14,663 1.684,664 2.837,665 0.661,666 3.555,667 3.892,668 4.174,669 4.477,670 4.779,671 4.905,672 5.13,673 5.328,674 5.481,675 5.628,676 6.572,677 0.622,678 426.61,679 3.555,680 5.106,681 5.964,682 6.849,683 7.728,684 8.622,685 9.513,686 10.413,687 11.311,688 12.215,689 14.3,692 2,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 56,733 16,735 34,737 60,738 20,739 10,746 5,747 6,761 10,762 10,778 1,781 26,782 9,783 2,784 10,785 1,790 8,794 0.8,795 1,806 2,811 1,812 4,815 1,836 2,839 1,840 4,842 1,844 1,848 30,849 1,854 9,856 1,859 3,865 1,870 1.8,874 1,877 14.333,878 10.317,879 6.444,880 3.362,881 2.921,882 1.363,883 1.015,884 5.784,885 10.969,886 3.761,887 4.353,888 4.951,889 5.589,890 6.182,891 6.609,892 7.125,893 7.608,894 7.951,895 8.337,896 0.875,897 47,898 11.095,900 4.717,901 7.517,902 21.803,904 18.283,905 2.017,906 60.5,910 282.506,911 105.159,912 109.412,914 11,916 31.278,917 73.881,918 293.506,919 109.412,920 8.396,921 23.925,922 42.373,923 102.001,924 35.554,925 5.585,926 290.242,928 282.506,929 183.293,930 11,931 31.278,933 284.834,935 11,937 50.484,938 63.339,939 67.142,940 31.278,941 282.506,942 120.412,943 105.159,946 282.506,947 69.191,948 45.34,950 111.039,951 282.506,952 120.412,953 105.159,955 0.583,956 0.333,957 0.181,958 0.109,959 25,960 10,961 0.067,962 4,963 1,964 1.074,965 4.191,966 281.351,967 0.074,968 27,969 135.207,970 1,974 20.007,975 8.673,976 4.426,977 2.119,978 120.412,979 5.642,980 18.002,983 1.752,984 3.95,986 32.897,987 508.077,988 42,999 56.171,1000 63.853,1001 0.285,1002 0.605,1003 0.761,1004 0.807,1005 0.832,1006 0.832,1007 5.017,1008 1.701,1009 5.943,1010 5.273,1011 4.575,1012 5.04,1013 1.775,1014 6.746,1015 4.41,1016 6.201,1017 1.4,1018 7.489,1019 4.795,1020 4.111,1021 4.844,1022 0.766,1023 7.591,1024 3.875,1025 7.499,1026 1.234,1027 9.132,1028 4.081,1029 6.159,1030 7.23,1031 1.379,1032 10.71,1033 5.85,1034 8.833,1035 1,1036 10.833,1037 2.944,1038 6.509,1039 7.912,1040 0.74,1041 12.414,1042 6.137,1043 10.202,1044 1,1045 12.573,1046 2.275,1047 8.017,1048 9.78,1049 1.116,1050 15.047,1051 7.577,1052 11.598,1053 1,1054 14.34,1055 2.275,1056 8.76,1057 10.889,1058 0.632,1059 17.133,1060 8.262,1061 13.014,1062 0.558,1063 16.129,1064 2.136,1065 10.042,1066 12.544,1067 0.91,1068 19.602,1069 9.479,1070 3.224,1071 0.167,1072 17.936,1073 1.615,1074 10.985,1075 13.865,1076 0.524,1077 21.86,1078 10.365,1079 2.782,1080 11.114,1081 19.756,1082 0.41,1083 12.174,1084 15.432,1085 0.742,1086 24.275,1087 11.489,1088 2.692,1089 8.938,1090 21.589,1091 4.577,1092 13.22,1093 16.855,1094 0.43,1095 26.612,1096 12.475,1097 2.533,1098 8.29,1099 23.431,1100 3.777,1101 14.375,1102 18.387,1103 0.603,1104 29.012,1105 13.566,1106 2.297,1107 7.349,1108 25.282,1109 3.242,1110 15.474,1111 19.859,1112 0.353,1113 31.384,1114 14.602,1115 2.151,1116 6.177,1117 27.14,1118 3.037,1119 16.62,1120 21.379,1121 0.489,1122 33.783,1123 15.684,1124 1.852,1125 6.02,1126 29.005,1127 2.707,1128 17.747,1129 22.875,1130 0.29,1131 36.172,1132 16.746,1133 11189,1134 17619,1135 23.463,1136 37,1137 51.282,1138 51.394,1139 51.98,1140 51.242,1141 51.183,1142 63.421,1143 7.098,1144 147.382,1145 46.944,1146 5.638,1147 5.336,1148 6.555,1149 5.302,1150 5.224,1151 7.577,1152 1.776,1153 18.359,1154 4.931,1155 10.683,1156 1.508,1157 1.512,1158 1.529,1159 1.507,1160 1.505,1161 1.865,1162 0.209,1163 4.335,1164 1.381,1165 4.098,1166 4.125,1167 4.334,1168 4.063,1169 5.245,1170 4.023,1171 3.84,1172 3.912,1173 3.823,1174 3.677,1175 5.012,1176 3.691,1177 3.797,1178 3.856,1179 3.704,1180 3.61,1181 4.616,1182 3.621,1183 3.719,1184 3.766,1185 3.66,1186 3.524,1187 4.578,1188 3.529,1189 3.367,1190 3.446,1191 3.346,1192 3.157,1193 4.412,1194 3.173,1195 3.173,1196 3.261,1197 3.078,1198 2.941,1199 4.234,1200 2.944,1201 3.111,1202 3.206,1203 2.978,1204 2.941,1205 3.983,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.937,1211 3.962,1212 2.91,1213 0.136,1214 0.098,1215 0.199,1216 0.122,1217 0.095,1218 4.638,1219 0.135,1220 3.336,1221 0.027,1222 6.753,1223 0.327,1224 4.158,1225 0.089,1226 3.224,1227 4.577,1228 0.916,1229 11.114,1230 3.014,1231 1.892,1232 1.856,1233 2.001,1234 2.06,1235 1.312,1236 2.037,1237 1.794,1238 1.727,1239 1.963,1240 2.018,1241 1.219,1242 2.018,1243 1.713,1244 1.661,1245 1.855,1246 1.933,1247 0.965,1248 1.914,1249 1.568,1250 1.522,1251 1.715,1252 1.761,1253 0.912,1254 1.745,1255 1.481,1256 1.457,1257 1.594,1258 1.626,1259 0.825,1260 1.652,1261 1.153,1262 1.064,1263 1.513,1264 1.389,1265 0.825,1266 1.432,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.745,1272 1.429,1273 1.15,1274 1.053,1275 1.449,1276 1.376,1277 0.613,1278 1.429,1279 4.234,1281 5.565,1282 2.398,1283 7.088,1284 4.727,1285 8.696,1286 6.843,1287 10.352,1289 2.184,1293 5.652,1295 8.463,1297 5.549,1300 7.188,1305 34.814,1306 92.562,1307 196.709,1308 247.437,1309 262.457,1310 270.457,1311 270.457,1312 36.77,1313 8.048,1314 96.53,1315 124.77,1316 29,1317 12.736,1318 4.087,1319 3.17,1320 41.354,1321 118,1322 135,1323 0.173,1324 214.64,1325 356.88,1326 515.482,1327 33479,1329 20.501,1330 0.683,1331 0.598,1332 20.855,1333 17.937,1334 14.653,1335 0.431,1336 0.326,1337 10.139,1338 13.448,1339 9.853,1340 8.063,1341 15.061,1342 11.091,1343 13.436,1344 0.28,1345 0.186,1346 14.105,1347 8.926,1348 11.362,1349 0.178,1350 0.104,1351 12.081,1352 6.653,1353 9.557,1354 0.11,1355 0.057,1356 10.459,1357 4.924,1358 8.359,1359 0.071,1360 0.031,1361 9.22,1362 3.715,1363 0.267,1364 96.898,1365 0.206,1366 28.113,1367 0.489,1368 164,1369 453.424,1370 208.156,1371 456.117,1372 634.89,1373 432,1374 194,1375 457.478,1376 235.635,1377 478.937,1378 708.59,1379 449,1380 8.301}
{0 CHEMBL1949914,1 1.828,2 13.088,3 3.002,4 9.013,5 125.975,6 8.227,7 0.421,8 4.225,9 4.348,10 3.901,11 3.717,12 5.303,13 3.71,14 4.839,15 5.023,16 4.363,17 4.144,18 6.261,19 4.114,20 5.068,21 5.292,22 4.282,23 4.302,24 6.077,25 4.21,26 5.115,27 5.367,28 4.319,29 4.324,30 6.047,31 4.21,32 5.111,33 5.351,34 4.361,35 4.326,36 6.17,37 4.223,38 5.015,39 5.212,40 4.324,41 4.295,42 6.116,43 4.193,44 4.938,45 5.145,46 4.196,47 4.184,48 5.952,49 4.099,50 4.961,51 5.199,52 4.074,53 4.117,54 5.979,55 4.032,56 0.168,57 1.177,58 11.49,59 5.516,60 26.07,61 6.666,62 1.128,63 2.187,64 27.684,65 9.566,66 159.47,67 11.803,68 1.002,69 2.066,70 39.055,71 12.6,72 80.698,73 16.466,74 0.764,75 2.146,76 41.522,77 13.869,78 80.218,79 18.893,80 1.03,81 2.332,82 46.241,83 15.248,84 124.154,85 17.751,86 0.935,87 2.153,88 44.916,89 13.84,90 105.436,91 15.319,92 0.664,93 1.82,94 34.253,95 11.185,96 63.735,97 14.213,98 0.815,99 1.782,100 34.78,101 10.5,102 82.661,103 13.94,104 19,105 55,106 0.296,107 0.608,108 0.763,109 0.804,110 0.804,111 0.804,112 3.561,113 0.96,114 -4.42,115 -4.35,116 -4.1,119 36.7,121 3,122 1,125 7,132 1,142 1,143 2,145 2,147 1,149 1,150 1,152 1,161 1,163 1,164 1,165 1,172 4,174 3,175 10,177 2,178 2,183 7,186 1,187 4,195 3,198 5,199 5,204 1,207 7,209 1,211 1,212 4,220 3,223 2,224 11,226 2,227 2,232 1,236 1,237 9,245 1,249 1,250 3,252 1,253 1,255 2,258 2,260 2,262 4,263 3,268 1,273 1,275 2090,276 22.72,277 22.72,278 22.72,279 22.72,280 22.72,281 20.93,282 25.948,283 13.305,284 23.807,285 18.851,286 18.851,287 18.851,288 18.851,289 18.851,290 16.05,291 28.392,292 6.459,293 20.726,294 4.079,295 2.156,296 1.2,297 0.946,298 0.946,299 0.946,300 4.267,305 1,306 972,307 3.606,310 77.528,311 420.166,314 144.332,318 1.981,319 47.737,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 77,331 445,332 4.638,333 4.27,334 6.753,335 4.159,336 3.224,337 4.577,338 3.02,339 11.114,340 3.015,341 4.154,342 3.331,343 6.455,344 3.954,345 3.139,346 3.777,347 0.86,348 10.195,349 2.677,350 4.138,351 2.922,352 6.107,353 3.74,354 2.781,355 3.242,356 0.8,357 8.938,358 2.627,359 3.865,360 2.837,361 5.866,362 3.625,363 2.684,364 3.138,365 0.8,366 8.291,367 2.469,368 3.665,369 2.765,370 5.518,371 3.435,372 2.52,373 3.037,375 7.402,376 2.278,377 3.591,378 2.485,379 5.185,380 3.201,381 2.295,382 2.698,384 6.481,385 2.075,386 3.304,387 2.332,388 5.045,389 3.065,390 2.145,391 2.442,393 6.093,394 1.942,395 3.014,396 2.22,397 4.848,398 2.768,399 1.854,400 2.125,402 5.426,403 1.679,404 2.985,405 1.904,406 4.676,407 2.608,408 1.702,409 2.06,411 4.798,412 1.522,413 2.826,414 1.548,415 4.375,416 2.34,417 1.4,418 1.918,420 4.084,421 1.31,422 2.5,423 1.429,424 3.755,425 2.095,426 1.234,427 1.5,428 2.944,429 1.052,430 2.388,431 1.256,432 3.414,433 1.984,434 1,435 1.376,436 2.275,437 0.983,438 2,439 1.077,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.641,458 3.247,459 1.456,460 0.558,461 0.754,463 1.616,464 0.492,465 15.824,466 0.465,467 1.007,468 0.03,469 39,470 1.147,471 15,472 0.441,473 24,474 0.706,475 35.669,476 1.049,477 38.776,478 0.646,479 30.166,480 0.887,481 7.216,482 0.212,483 9.121,484 0.268,485 0.079,486 0.032,487 0.303,490 3,493 0.669,494 1.223,495 0.686,496 1.105,497 0.598,498 0.996,499 0.638,500 0.757,501 0.781,502 0.854,503 0.351,504 0.882,505 0.761,506 0.826,507 1.049,508 0.999,509 0.661,510 1.052,511 0.472,512 0.788,513 0.8,514 0.973,515 0.444,516 0.979,517 1.058,518 1.02,519 1.117,520 1.002,521 1.158,522 0.904,523 1.122,524 1.1,525 1.683,526 1.505,527 1.155,528 1.238,529 0.756,530 1.015,531 1.171,532 1.281,533 0.616,534 1.219,535 0.908,536 0.908,537 1.074,538 1.028,539 0.821,540 1.103,541 8.5,542 0.228,543 3.111,544 2.132,545 1.8,546 1.358,547 0.958,548 0.393,549 0.476,550 0.265,551 17345,552 57560,553 2.12,554 43.3,555 1,556 15,558 2,559 2,560 2,561 4,564 1.762,565 1.99,566 3.631,567 0.293,569 1,573 109.688,574 1.828,575 3.751,576 4.707,577 4.961,578 4.961,579 4.961,580 3.114,581 4.595,582 5.052,583 3.851,584 2160.49,585 8.874,586 33108.6,591 354.413,592 1.501,593 5.017,594 0.224,595 0.007,596 0.057,597 0.041,598 0.035,599 0.026,600 0.019,601 0.009,602 0.012,603 0.007,604 0.435,605 0.17,606 0.75,607 0.812,608 182.467,609 -0.06,610 -0.188,611 0.059,612 -0.05,613 -0.065,614 -0.004,615 0.262,616 0.262,617 0.112,618 0.142,619 0.43,620 0.071,621 -0.019,622 0.065,623 -0.1,624 0.02,625 -0.021,626 -0.046,627 0.079,628 -0.015,629 0.144,630 0.032,631 0.043,632 0.067,633 -0.102,634 0.027,635 0.032,636 0.158,637 -0.123,638 0.15,639 -0.174,640 0.034,641 -0.355,642 -0.169,643 -0.178,644 -0.195,645 -0.081,646 -0.138,647 -0.18,648 -0.211,649 -0.07,650 -0.212,651 -0.131,652 -0.018,653 -0.161,654 -0.081,655 -0.105,656 -0.126,657 5.389,658 4.69,659 0.794,660 40.997,661 1.023,662 1.153,663 3.186,664 10.15,665 0.655,666 3.664,667 4.025,668 4.248,669 4.564,670 4.844,671 4.977,672 5.22,673 5.403,674 5.545,675 5.697,676 7.713,677 0.633,678 493.62,679 3.664,680 5.231,681 6.075,682 6.973,683 7.838,684 8.74,685 9.618,686 10.523,687 11.41,688 12.317,689 11.7,692 1,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 60,733 16,735 38,737 64,738 22,739 10,746 5,747 6,752 1,755 2,756 1,757 1,758 3,761 10,762 12,763 1,779 3,781 26,782 11,783 2,784 12,785 1,790 7,794 0.8,795 1,806 2,811 1,812 4,815 1,836 1,839 1,840 4,842 1,846 3,848 34,849 1,854 10,856 1,858 1,859 2,860 1,865 1,869 3,870 1.7,874 1,877 17.083,878 10.629,879 7.153,880 3.695,881 2.888,882 1.346,883 1.003,884 6.877,885 11.23,886 3.85,887 4.44,888 4.986,889 5.619,890 6.198,891 6.622,892 7.138,893 7.617,894 7.96,895 8.349,896 0.889,897 52,898 12.95,900 5.944,901 7.988,902 24.026,904 20.429,905 2.488,906 84.583,910 282.506,911 107.914,912 106.288,914 11,915 44.88,916 31.278,917 76.636,918 293.506,919 151.168,921 27.317,922 42.373,923 102.001,924 77.31,925 5.585,926 290.242,927 7.76,928 282.506,929 182.924,930 55.88,931 31.278,933 237.75,934 91.965,935 11,937 58.512,938 54.943,939 67.142,940 31.278,941 327.387,942 117.288,943 107.914,946 290.266,947 72.583,948 33.82,950 155.92,951 282.506,952 162.168,953 107.914,955 0.591,956 0.316,957 0.174,958 0.102,959 28,960 12,961 0.078,962 5,963 1,964 1.074,965 4.485,966 327.721,967 0.074,968 27,969 156.219,970 1,974 23.654,975 9.885,976 5.782,977 1.879,978 162.168,979 5.391,980 17.794,983 1.624,984 3.472,986 32.897,987 552.589,988 46,999 61.374,1000 69.204,1001 0.309,1002 0.635,1003 0.797,1004 0.84,1005 0.84,1006 0.84,1007 5.13,1008 1.854,1009 6.094,1010 6.093,1011 4.71,1012 5.127,1013 2.895,1014 6.921,1015 4.532,1016 6.333,1017 1.702,1018 7.66,1019 5.426,1020 4.443,1021 5.017,1022 3.11,1023 7.953,1024 4.106,1025 7.648,1026 1.4,1027 9.325,1028 4.798,1029 6.361,1030 7.304,1031 4.571,1032 10.962,1033 6.009,1034 8.993,1035 1.234,1036 11.049,1037 4.084,1038 6.858,1039 8.01,1040 5.469,1041 12.771,1042 6.347,1043 10.37,1044 1,1045 12.81,1046 2.944,1047 8.295,1048 9.834,1049 6.665,1050 15.349,1051 7.756,1052 11.77,1053 1,1054 14.597,1055 2.275,1056 9.133,1057 10.942,1058 7.722,1059 17.478,1060 8.456,1061 13.187,1062 1,1063 16.401,1064 2.275,1065 10.385,1066 12.577,1067 8.85,1068 19.916,1069 9.659,1070 3.224,1071 0.558,1072 18.22,1073 2.136,1074 11.384,1075 13.892,1076 9.943,1077 22.184,1078 10.541,1079 3.139,1080 11.114,1081 20.051,1082 1.616,1083 12.563,1084 15.45,1085 11.055,1086 24.577,1087 11.656,1088 2.781,1089 10.195,1090 21.89,1091 4.577,1092 13.639,1093 16.869,1094 12.157,1095 26.907,1096 12.631,1097 2.684,1098 8.938,1099 23.737,1100 3.777,1101 14.792,1102 18.397,1103 13.264,1104 29.289,1105 13.714,1106 2.52,1107 8.291,1108 25.591,1109 3.242,1110 15.906,1111 19.866,1112 14.368,1113 31.648,1114 14.738,1115 2.295,1116 7.402,1117 27.45,1118 3.138,1119 17.053,1120 21.384,1121 15.474,1122 34.03,1123 15.811,1124 2.145,1125 6.481,1126 29.314,1127 3.037,1128 18.185,1129 22.878,1130 16.579,1131 36.404,1132 16.862,1133 16334,1134 29940,1135 25.542,1136 39.33,1137 57.94,1138 57.759,1139 57.839,1140 57.858,1141 57.592,1142 69.83,1143 10.96,1144 169.493,1145 52.446,1146 5.638,1147 6.27,1148 6.555,1149 5.298,1150 5.224,1151 7.577,1152 4.53,1153 18.359,1154 4.971,1155 16.497,1156 1.525,1157 1.52,1158 1.522,1159 1.523,1160 1.516,1161 1.838,1162 0.288,1163 4.46,1164 1.38,1165 4.102,1166 4.129,1167 4.335,1168 4.072,1169 8.513,1170 4.031,1171 3.879,1172 3.941,1173 3.824,1174 3.728,1175 7.999,1176 3.732,1177 3.805,1178 3.859,1179 3.769,1180 3.662,1181 7.999,1182 3.67,1183 3.724,1184 3.771,1185 3.663,1186 3.526,1187 5.245,1188 3.532,1189 3.543,1190 3.6,1191 3.498,1192 3.286,1193 5.011,1194 3.319,1195 3.304,1196 3.367,1197 3.332,1198 3.095,1199 4.616,1200 3.115,1201 3.111,1202 3.206,1203 2.988,1204 2.941,1205 4.576,1206 2.91,1207 3.111,1208 3.206,1209 2.968,1210 2.941,1211 4.35,1212 2.91,1213 0.122,1214 0.112,1215 0.178,1216 0.109,1217 0.085,1218 4.638,1219 0.12,1220 4.27,1221 0.079,1222 6.753,1223 0.292,1224 4.159,1225 0.079,1226 3.224,1227 4.577,1228 3.02,1229 11.114,1230 3.015,1231 1.896,1232 1.858,1233 2.073,1234 2.061,1235 1.469,1236 2.057,1237 1.871,1238 1.821,1239 1.964,1240 2.039,1241 1.219,1242 2.032,1243 1.714,1244 1.663,1245 1.855,1246 1.933,1247 1.006,1248 1.914,1249 1.57,1250 1.524,1251 1.722,1252 1.766,1253 0.942,1254 1.75,1255 1.514,1256 1.482,1257 1.624,1258 1.72,1259 0.825,1260 1.703,1261 1.312,1262 1.27,1263 1.513,1264 1.508,1265 0.825,1266 1.515,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.783,1272 1.429,1273 1.153,1274 1.064,1275 1.45,1276 1.376,1277 0.72,1278 1.429,1279 4.344,1281 5.694,1282 2.398,1283 7.22,1284 4.727,1285 8.826,1286 6.843,1287 10.476,1291 38.07,1293 5.631,1295 5.269,1297 5.515,1299 0.363,1300 3.714,1301 -4.139,1305 37.996,1306 109.688,1307 225.055,1308 282.439,1309 297.659,1310 297.659,1311 297.659,1312 63.85,1313 8.341,1314 93.29,1315 121.53,1316 29,1317 12.838,1318 4.087,1319 3.17,1320 49.951,1321 158,1322 160,1323 0.156,1324 230.625,1325 398.69,1326 554.485,1327 49364,1328 5,1329 23.709,1330 0.697,1331 0.571,1332 21.562,1333 19.408,1334 16.337,1335 0.43,1336 0.32,1337 11.165,1338 14.939,1339 10.966,1340 8.896,1341 15.599,1342 12.157,1343 15.962,1344 0.29,1345 0.18,1346 14.274,1347 9.886,1348 12.094,1349 0.175,1350 0.106,1351 12.49,1352 7.315,1353 10.529,1354 0.111,1355 0.06,1356 10.77,1357 5.679,1358 8.952,1359 0.071,1360 0.034,1361 9.317,1362 4.279,1363 0.246,1364 108.558,1365 0.198,1366 31.5,1367 0.424,1368 186,1369 714.112,1370 245.424,1371 622.87,1372 824.53,1373 582,1374 217,1375 568.717,1376 265.324,1377 567.967,1378 854.39,1379 534,1380 8.699}
{0 CHEMBL1949915,1 1.79,2 12.303,3 1.569,4 2.463,5 129.166,6 8.161,7 0.432,8 4.219,9 4.33,10 4.017,11 3.764,12 5.224,13 3.718,14 4.82,15 4.994,16 4.35,17 4.185,18 5.988,19 4.12,20 5.065,21 5.27,22 4.33,23 4.342,24 6.045,25 4.234,26 5.125,27 5.355,28 4.307,29 4.357,30 6.1,31 4.223,32 5.08,33 5.316,34 4.29,35 4.351,36 5.986,37 4.201,38 4.977,39 5.177,40 4.306,41 4.32,42 5.916,43 4.179,44 4.934,45 5.13,46 4.257,47 4.217,48 5.931,49 4.104,50 4.943,51 5.178,52 4.193,53 4.153,54 5.898,55 4.043,56 0.126,57 1.008,58 14.975,59 5.819,60 18.381,61 6.994,62 0.649,63 1.632,64 30.496,65 10.276,66 67.546,67 12.563,68 0.653,69 1.938,70 42.991,71 13.675,72 63.063,73 16.764,74 0.726,75 1.992,76 45.889,77 14.679,78 81.284,79 18.76,80 0.61,81 1.887,82 45.356,83 15.366,84 69.465,85 19.196,86 0.503,87 1.877,88 45.229,89 14.261,90 42.598,91 17.092,92 0.501,93 1.727,94 37.641,95 11.972,96 46.637,97 14.559,98 0.524,99 1.674,100 35.853,101 11.012,102 45.926,103 14.812,104 18,105 54,106 0.288,107 0.605,108 0.777,109 0.799,110 0.799,111 0.799,112 3.532,113 1.11,114 -3.07,115 -3.06,116 -2.95,119 35,121 3,122 1,124 1,125 6,142 1,143 2,145 2,147 1,149 1,150 1,152 1,161 1,163 1,164 1,165 1,172 4,174 6,175 10,177 2,178 2,183 7,186 1,187 4,195 3,198 5,199 9,204 1,207 7,209 1,211 1,212 6,220 3,223 2,224 13,226 2,227 2,232 1,236 1,237 9,245 1,249 1,250 7,252 1,253 1,255 2,258 2,260 2,262 4,263 5,268 1,273 1,275 1892,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 25.26,283 12.839,284 22.94,285 18.321,286 18.321,287 18.321,288 18.321,289 18.321,290 14.91,291 28.906,292 6.185,293 19.744,294 4.117,295 2.148,296 1.079,297 0.946,298 0.946,299 0.946,300 4.239,305 1,306 889,307 3.464,310 73.858,311 401.281,314 137.361,318 1.888,319 39.32,322 1,323 0.67,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.83,330 72.5,331 406,332 4.743,333 4.375,334 7.111,335 4.249,336 3.314,337 4.577,338 0.86,339 11.657,340 3.082,341 4.638,342 3.331,343 6.753,344 4.158,345 3.223,346 4.51,347 0.8,348 11.114,349 3.014,350 4.153,351 2.904,352 6.107,353 3.739,354 2.779,355 3.777,356 0.4,357 8.938,358 2.667,359 3.863,360 2.825,361 5.866,362 3.6,363 2.664,364 3.242,366 8.286,367 2.526,368 3.664,369 2.619,370 5.477,371 3.393,372 2.449,373 3.037,375 7.274,376 2.27,377 3.545,378 2.413,379 5.049,380 3.191,381 2.28,382 2.685,384 6.117,385 2.071,386 3.213,387 2.308,388 4.95,389 2.883,390 1.954,391 2.351,393 5.701,394 1.799,395 3.013,396 2.174,397 4.683,398 2.635,399 1.743,400 2.117,402 4.816,403 1.538,404 2.869,405 1.85,406 4.551,407 2.478,408 1.547,409 2.007,411 4.581,412 1.431,413 2.685,414 1.547,415 4.373,416 2.326,417 1.389,418 1.676,420 4.07,421 1.293,422 2.5,423 1.427,424 3.755,425 2.095,426 1.234,427 1.5,428 2.943,429 1.052,430 2.388,431 1.256,432 3.414,433 1.984,434 1,435 1.375,436 2.275,437 0.983,438 2,439 1.077,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.64,458 3.247,459 1.452,460 0.557,461 0.754,463 1.615,464 0.49,465 15.967,466 0.484,467 0.98,468 0.03,469 41,470 1.242,471 18,472 0.545,473 23,474 0.697,475 33.627,476 1.019,477 36.833,478 0.614,479 30.036,480 0.91,481 7.174,482 0.217,483 8.691,484 0.263,485 0.098,486 0.052,487 0.301,493 0.698,494 1.54,495 0.778,496 1.215,497 0.709,498 1.001,499 0.874,500 0.976,501 0.923,502 0.922,503 0.514,504 0.872,505 1.134,506 1.116,507 1.14,508 1.053,509 0.986,510 1.019,511 0.903,512 0.919,513 1.014,514 0.997,515 1.086,516 1.024,517 0.805,518 0.925,519 0.952,520 0.929,521 0.94,522 0.909,523 0.699,524 1.176,525 1.402,526 1.429,527 0.554,528 1.172,529 1.009,530 1.272,531 1.031,532 1.139,533 0.871,534 1.187,535 0.803,536 1.034,537 0.837,538 0.966,539 0.617,540 1.012,541 8,542 0.178,543 3.778,544 2.132,545 1.56,546 1.511,547 0.797,548 0.487,549 0.414,550 0.343,551 15712,552 46377,553 2.123,554 45,555 1,556 16,558 2,559 2,560 2,561 4,564 1.755,565 1.99,566 3.556,567 0.312,573 107.386,574 1.79,575 3.759,576 4.828,577 4.961,578 4.961,579 4.961,580 3.048,581 4.476,582 5.01,583 3.766,584 1988.53,585 8.795,586 29507.1,591 354.413,592 1.521,593 4.972,594 0.216,595 0.006,596 0.07,597 0.04,598 0.032,599 0.031,600 0.016,601 0.011,602 0.01,603 0.009,604 0.441,605 0.33,606 0.63,607 0.675,608 174.61,609 0.029,610 -0.281,611 0.177,612 -0.087,613 -0.115,614 0.003,615 0.14,616 0.153,617 0.043,618 0.096,619 0.284,620 0.086,621 -0.176,622 -0.07,623 -0.132,624 -0.018,625 -0.073,626 -0.031,627 -0.043,628 0.076,629 -0.046,631 -0.093,632 -0.023,633 -0.022,634 0.038,635 0.065,636 0.129,637 -0.083,638 0.136,639 0.006,640 -0.061,641 -0.177,642 -0.191,643 -0.004,644 -0.115,645 -0.121,646 -0.204,647 -0.1,648 -0.149,649 -0.122,650 -0.211,651 -0.016,652 -0.018,653 0.047,654 -0.05,655 0.004,656 -0.04,657 4.027,658 4.807,659 0.818,660 37.556,661 1.011,662 1.135,663 1.835,664 3.368,665 0.672,666 3.638,667 4.007,668 4.263,669 4.543,670 4.828,671 4.99,672 5.198,673 5.384,674 5.529,675 5.71,676 7.332,677 0.632,678 489.69,679 3.638,680 5.209,681 6.066,682 6.963,683 7.84,684 8.742,685 9.629,686 10.535,687 11.428,688 12.336,689 11.7,692 1,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 60,733 18,735 37,737 64,738 21,739 10,746 5,747 6,755 2,756 1,758 3,761 10,762 11,763 1,766 2,769 1,771 2,781 27,782 10,783 2,784 12,785 2,790 7,794 0.8,795 3,806 2,811 1,812 4,815 1,839 1,840 4,842 2,844 1,848 33,849 1,852 1,854 9,856 1,858 1,859 2,865 1,870 5,873 2,874 1,877 16.583,878 10.95,879 6.944,880 3.618,881 3.01,882 1.364,883 1.006,884 6.493,885 11.285,886 3.871,887 4.508,888 5.02,889 5.626,890 6.202,891 6.635,892 7.141,893 7.623,894 7.967,895 8.368,896 1,897 53,898 12.396,900 5.534,901 7.765,902 23.762,904 20.439,905 2.265,906 74.75,910 294.278,911 111.047,912 104.682,914 55.313,916 37.085,917 73.961,918 349.59,919 104.682,920 7.19,921 25.211,922 48.181,923 146.314,924 30.824,925 5.585,926 302.013,928 294.278,929 178.644,930 55.313,931 37.085,933 249.521,934 91.397,935 11,937 47.041,938 62.133,939 72.95,940 31.278,941 294.278,942 159.995,943 111.047,945 5.807,946 294.278,947 70.478,948 39.404,950 155.352,951 294.278,952 159.995,953 111.047,955 0.595,956 0.333,957 0.173,958 0.1,959 28,960 12,961 0.078,962 5,963 1,964 1.074,965 4.372,966 318.373,967 0.074,968 27,969 152.465,970 1,973 1,974 22.85,975 9.377,976 5.116,977 1.979,978 159.995,979 5.504,980 17.91,983 1.681,984 3.679,986 32.897,987 565.319,988 47,991 -3.111,993 23.615,999 60.683,1000 68.108,1001 0.303,1002 0.636,1003 0.817,1004 0.84,1005 0.84,1006 0.84,1007 5.147,1008 1.743,1009 6.089,1010 5.701,1011 4.691,1012 5.196,1013 1.324,1014 6.938,1015 4.549,1016 6.377,1017 1.547,1018 7.676,1019 4.816,1020 4.443,1021 5.293,1022 0.325,1023 8.044,1024 4.233,1025 7.725,1026 1.389,1027 9.369,1028 4.581,1029 6.365,1030 7.499,1031 0.958,1032 11.079,1033 6.097,1034 9.112,1035 1.234,1036 11.128,1037 4.07,1038 6.909,1039 8.412,1040 0.268,1041 12.996,1042 6.571,1043 10.535,1044 1,1045 12.93,1046 2.943,1047 8.35,1048 10.169,1049 0.736,1050 15.608,1051 7.956,1052 11.983,1053 1,1054 14.762,1055 2.275,1056 9.242,1057 11.419,1058 0.188,1059 17.838,1060 8.775,1061 13.451,1062 1,1063 16.617,1064 2.275,1065 10.506,1066 13.02,1067 0.57,1068 20.323,1069 9.978,1070 3.314,1071 0.557,1072 18.488,1073 2.136,1074 11.554,1075 14.415,1076 0.125,1077 22.676,1078 10.952,1079 3.223,1080 11.657,1081 20.374,1082 1.615,1083 12.754,1084 15.957,1085 0.439,1086 25.122,1087 12.087,1088 2.779,1089 11.114,1090 22.27,1091 4.577,1092 13.873,1093 17.416,1094 0.082,1095 27.524,1096 13.132,1097 2.664,1098 8.938,1099 24.174,1100 4.51,1101 15.054,1102 18.937,1103 0.334,1104 29.962,1105 14.244,1106 2.449,1107 8.286,1108 26.086,1109 3.777,1110 16.205,1111 20.424,1112 0.054,1113 32.384,1114 15.321,1115 2.28,1116 7.274,1117 28.004,1118 3.242,1119 17.381,1120 21.938,1121 0.252,1122 34.821,1123 16.427,1124 1.954,1125 6.117,1126 29.927,1127 3.037,1128 18.548,1129 23.438,1130 0.035,1131 37.253,1132 17.52,1133 14759,1134 25523,1135 24.849,1136 40.313,1137 56.322,1138 57.881,1139 56.929,1140 56.436,1141 56.366,1142 71.325,1143 4.12,1144 167.867,1145 52.251,1146 5.743,1147 6.375,1148 6.913,1149 5.388,1150 5.314,1151 7.577,1152 1.72,1153 18.903,1154 5.041,1155 16.004,1156 1.522,1157 1.564,1158 1.539,1159 1.525,1160 1.523,1161 1.928,1162 0.111,1163 4.537,1164 1.412,1165 4.111,1166 4.134,1167 4.722,1168 4.077,1169 7.716,1170 4.034,1171 4.007,1172 4.005,1173 4.333,1174 3.958,1175 6.999,1176 3.845,1177 3.816,1178 3.864,1179 3.824,1180 3.686,1181 5.245,1182 3.691,1183 3.744,1184 3.785,1185 3.671,1186 3.596,1187 5.011,1188 3.569,1189 3.666,1190 3.688,1191 3.625,1192 3.515,1193 4.616,1194 3.502,1195 3.302,1196 3.364,1197 3.331,1198 3.12,1199 4.576,1200 3.129,1201 3.111,1202 3.206,1203 2.98,1204 2.941,1205 4.328,1206 2.91,1207 3.111,1208 3.206,1209 2.901,1210 2.941,1211 4.176,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.124,1220 4.375,1221 0.023,1222 7.111,1223 0.315,1224 4.249,1225 0.083,1226 3.314,1227 4.577,1228 0.86,1229 11.657,1230 3.082,1231 1.909,1232 1.885,1233 2.059,1234 2.063,1235 1.473,1236 2.089,1237 1.887,1238 1.854,1239 1.963,1240 2.048,1241 1.219,1242 2.034,1243 1.717,1244 1.683,1245 1.855,1246 1.934,1247 1.044,1248 1.914,1249 1.652,1250 1.649,1251 1.708,1252 1.782,1253 0.948,1254 1.842,1255 1.561,1256 1.519,1257 1.611,1258 1.745,1259 0.84,1260 1.737,1261 1.401,1262 1.384,1263 1.513,1264 1.512,1265 0.825,1266 1.562,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.741,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.836,1286 6.843,1287 10.5,1289 1.287,1293 5.647,1295 6.737,1297 5.536,1299 0.459,1300 3.827,1305 37.936,1306 107.386,1307 225.551,1308 289.659,1309 297.659,1310 297.659,1311 297.659,1312 60.966,1313 8.275,1314 127.43,1315 164.05,1316 29,1317 12.856,1318 4.248,1319 3.459,1320 47.716,1321 146,1322 141,1323 0.161,1324 236.562,1325 399.27,1326 568.97,1327 44798,1329 23.001,1330 0.697,1331 0.609,1332 23.605,1333 20.108,1334 15.864,1335 0.429,1336 0.37,1337 11.067,1338 13.902,1339 10.605,1340 8.665,1341 17.167,1342 13.693,1343 15.394,1344 0.285,1345 0.216,1346 17.45,1347 11.639,1348 12.298,1349 0.176,1350 0.122,1351 13.774,1352 8.551,1353 10.256,1354 0.11,1355 0.069,1356 11.675,1357 6.396,1358 8.624,1359 0.07,1360 0.038,1361 9.852,1362 4.772,1363 0.253,1364 113.353,1365 0.201,1366 30.586,1367 0.445,1368 182,1369 548.11,1370 262.254,1371 563.253,1372 767.31,1373 524,1374 215,1375 525.61,1376 297.637,1377 577.043,1378 844.42,1379 540,1380 9.199}
{0 CHEMBL1949916,1 1.79,2 12.303,3 0.912,4 0.832,5 129.301,6 8.161,7 0.432,8 4.219,9 4.331,10 4.012,11 3.77,12 5.226,13 3.719,14 4.82,15 4.994,16 4.346,17 4.19,18 5.966,19 4.124,20 5.069,21 5.268,22 4.34,23 4.335,24 6.075,25 4.232,26 5.132,27 5.369,28 4.312,29 4.335,30 6.104,31 4.209,32 5.065,33 5.301,34 4.296,35 4.328,36 6.004,37 4.182,38 4.963,39 5.17,40 4.3,41 4.307,42 5.88,43 4.164,44 4.906,45 5.092,46 4.26,47 4.209,48 5.916,49 4.097,50 4.949,51 5.19,52 4.197,53 4.126,54 5.909,55 4.025,56 0.119,57 1.007,58 14.697,59 6.002,60 18.415,61 7.039,62 0.585,63 1.637,64 31.471,65 10.423,66 68.506,67 12.493,68 0.669,69 1.941,70 43.146,71 13.511,72 69.764,73 16.597,74 0.755,75 1.991,76 46.061,77 14.105,78 82.352,79 18.515,80 0.689,81 1.862,82 43.778,83 14.838,84 67.902,85 18.739,86 0.518,87 1.862,88 44.809,89 14.198,90 34.874,91 16.927,92 0.462,93 1.705,94 37.137,95 11.965,96 44.372,97 14.263,98 0.55,99 1.68,100 36.492,101 10.41,102 46.014,103 14.219,104 18,105 54,106 0.288,107 0.605,108 0.777,109 0.799,110 0.799,111 0.799,112 3.532,113 1.116,114 -3.07,115 -3.06,116 -2.95,119 35,121 2,124 1,125 7,127 1,142 1,143 2,145 2,147 1,149 1,150 1,152 1,161 1,163 1,164 1,165 1,172 1,174 4,175 10,177 2,178 2,183 3,186 1,187 9,198 5,199 4,204 1,207 2,209 1,211 4,212 1,220 5,223 4,224 5,226 2,227 2,232 2,236 1,237 7,250 8,252 1,253 1,255 2,260 2,262 5,263 2,268 1,271 2,273 1,275 1892,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 26.996,283 12.839,284 23.15,285 18.321,286 18.321,287 18.321,288 18.321,289 18.321,290 14.91,291 34.916,292 6.185,293 20.102,294 4.117,295 2.148,296 1.079,297 0.946,298 0.946,299 0.946,300 4.239,305 1,306 889,307 3.464,310 73.858,311 401.281,314 137.361,318 1.888,319 40.063,322 1,323 0.67,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.83,330 72.5,331 406,332 4.743,333 5.18,334 7.111,335 4.179,336 3.314,337 4.577,338 2.95,339 11.657,340 3.014,341 4.638,342 3.335,343 6.753,344 4.157,345 3.223,346 4.51,347 0.916,348 11.114,349 2.832,350 4.153,351 3.011,352 6.107,353 3.736,354 2.779,355 3.777,356 0.86,357 8.938,358 2.662,359 3.863,360 2.841,361 5.866,362 3.57,363 2.664,364 3.242,365 0.8,366 8.286,367 2.405,368 3.664,369 2.727,370 5.477,371 3.361,372 2.449,373 3.037,374 0.172,375 7.274,376 2.226,377 3.545,378 2.551,379 5.049,380 3.189,381 2.28,382 2.685,384 6.117,385 2.069,386 3.213,387 2.371,388 4.95,389 2.886,390 1.954,391 2.351,393 5.701,394 1.808,395 3.013,396 2.271,397 4.683,398 2.638,399 1.743,400 2.117,402 4.816,403 1.544,404 2.869,405 2.006,406 4.551,407 2.493,408 1.547,409 2.007,411 4.581,412 1.451,413 2.685,414 1.548,415 4.373,416 2.326,417 1.389,418 1.676,420 4.07,421 1.293,422 2.5,423 1.435,424 3.755,425 2.095,426 1.234,427 1.5,428 2.943,429 1.052,430 2.388,431 1.256,432 3.414,433 1.984,434 1,435 1.375,436 2.275,437 0.983,438 2,439 1.077,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.929,458 3.247,459 1.451,460 0.557,461 0.754,463 1.615,464 0.49,465 15.967,466 0.484,467 0.98,468 0.03,469 41.25,470 1.25,471 18,472 0.545,473 23.25,474 0.705,475 33.084,476 1.003,477 36.833,478 0.614,479 30.579,480 0.927,481 7.325,482 0.222,483 8.539,484 0.259,485 0.098,486 0.052,487 0.301,493 0.717,494 1.514,495 0.789,496 1.181,497 0.705,498 0.996,499 0.984,500 0.989,501 0.998,502 0.964,503 0.561,504 0.868,505 1.196,506 1.194,507 1.154,508 1.104,509 1.14,510 1.059,511 0.912,512 0.926,513 0.947,514 0.95,515 1.079,516 0.981,517 0.735,518 0.912,519 0.901,520 0.893,521 0.917,522 0.902,523 0.614,524 1.072,525 1.388,526 1.375,527 0.376,528 1.121,529 1.003,530 1.365,531 1.103,532 1.241,533 0.887,534 1.246,535 0.902,536 1.074,537 0.843,538 0.929,539 0.629,540 0.968,541 8,542 0.178,543 3.778,544 2.132,545 1.56,546 1.511,547 0.797,548 0.487,549 0.414,550 0.343,551 15712,552 45969,553 2.123,554 45,556 19,558 2,559 2,562 4,564 1.755,565 1.99,566 3.556,567 0.312,573 107.386,574 1.79,575 3.759,576 4.828,577 4.961,578 4.961,579 4.961,580 3.048,581 4.476,582 5.01,583 3.766,584 1988.53,585 8.795,586 29507.1,591 354.413,592 1.521,593 4.972,594 0.216,595 0.006,596 0.07,597 0.04,598 0.032,599 0.031,600 0.016,601 0.011,602 0.01,603 0.009,604 0.441,605 0.33,606 0.63,607 0.675,608 174.61,609 0.01,610 -0.254,611 0.166,612 -0.053,613 -0.111,614 0.009,615 0.029,616 0.149,617 0.011,618 0.085,619 0.238,620 0.096,621 -0.184,622 -0.151,623 -0.146,624 -0.069,625 -0.104,626 -0.076,627 -0.034,628 0.058,629 -0.002,630 0.014,631 -0.089,632 0.008,633 0.07,634 0.051,635 0.093,636 0.139,637 -0.049,638 0.131,639 0.054,640 0.052,641 -0.151,642 -0.139,643 0.04,644 -0.067,645 -0.116,646 -0.276,647 -0.134,648 -0.209,649 -0.128,650 -0.262,651 -0.067,652 -0.053,653 0.051,654 -0.034,655 -0.008,656 -0.016,657 3.887,658 4.863,659 0.818,660 37.556,661 1.011,662 1.135,663 1.835,664 3.368,665 0.672,666 3.638,667 4.007,668 4.263,669 4.543,670 4.828,671 4.99,672 5.198,673 5.384,674 5.529,675 5.71,676 7.332,677 0.632,678 489.69,679 3.638,680 5.209,681 6.066,682 6.963,683 7.84,684 8.742,685 9.629,686 10.535,687 11.428,688 12.336,689 11.7,692 1,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 60,733 18,735 37,737 64,738 21,739 10,746 5,747 6,755 3,758 3,761 10,762 11,766 2,769 1,771 2,781 27,782 10,783 2,784 12,785 2,790 7,794 0.8,795 3,806 2,811 1,812 4,815 1,836 1,839 1,840 4,842 2,844 1,848 33,849 1,851 1,854 9,856 1,858 1,859 2,865 1,870 5,873 2,874 1,877 16.583,878 10.95,879 6.944,880 3.574,881 3.01,882 1.364,883 1.004,884 6.493,885 11.285,886 3.871,887 4.508,888 5.02,889 5.626,890 6.202,891 6.635,892 7.141,893 7.623,894 7.967,895 8.368,896 1,897 53,898 12.393,900 5.542,901 7.765,902 23.762,904 20.475,905 2.265,906 74.75,910 294.278,911 110.856,912 106.288,914 55.313,916 37.324,917 73.533,918 349.59,919 106.288,920 7.19,921 24.782,922 48.419,923 146.314,924 32.43,925 5.585,926 302.013,928 294.278,929 179.821,930 55.313,931 37.324,933 249.521,934 91.397,935 11,937 48.218,938 62.133,939 73.188,940 31.278,941 294.278,942 161.601,943 110.856,945 6.046,946 294.278,947 70.049,948 41.01,950 155.352,951 294.278,952 161.601,953 110.856,955 0.595,956 0.333,957 0.173,958 0.1,959 28,960 12,961 0.078,962 5,963 1,964 1.074,965 4.372,966 318.373,967 0.074,968 27,969 152.465,970 1,973 1,974 22.85,975 9.377,976 5.116,977 1.947,978 161.601,979 5.469,980 17.887,983 1.653,984 3.599,986 32.897,987 566.735,988 47,991 -2.971,993 23.726,999 60.683,1000 68.108,1001 0.303,1002 0.636,1003 0.817,1004 0.84,1005 0.84,1006 0.84,1007 5.147,1008 1.743,1009 6.089,1010 5.701,1011 4.691,1012 5.196,1013 3.107,1014 6.938,1015 4.513,1016 6.377,1017 1.547,1018 7.676,1019 4.816,1020 4.443,1021 5.293,1022 0.57,1023 8.044,1024 4.132,1025 7.725,1026 1.389,1027 9.369,1028 4.581,1029 6.365,1030 7.499,1031 5.043,1032 11.079,1033 6,1034 9.112,1035 1.234,1036 11.128,1037 4.07,1038 6.909,1039 8.412,1040 0.581,1041 12.996,1042 6.4,1043 10.535,1044 1,1045 12.93,1046 2.943,1047 8.35,1048 10.169,1049 7.186,1050 15.608,1051 7.784,1052 11.983,1053 1,1054 14.762,1055 2.275,1056 9.242,1057 11.419,1058 0.515,1059 17.838,1060 8.535,1061 13.451,1062 1,1063 16.617,1064 2.275,1065 10.506,1066 13.02,1067 9.348,1068 20.323,1069 9.727,1070 3.314,1071 0.557,1072 18.488,1073 2.136,1074 11.554,1075 14.415,1076 0.441,1077 22.676,1078 10.645,1079 3.223,1080 11.657,1081 20.374,1082 1.615,1083 12.754,1084 15.957,1085 11.511,1086 25.122,1087 11.759,1088 2.779,1089 11.114,1090 22.27,1091 4.577,1092 13.873,1093 17.416,1094 0.373,1095 27.524,1096 12.757,1097 2.664,1098 8.938,1099 24.174,1100 4.51,1101 15.054,1102 18.937,1103 13.675,1104 29.962,1105 13.841,1106 2.449,1107 8.286,1108 26.086,1109 3.777,1110 16.205,1111 20.424,1112 0.314,1113 32.384,1114 14.879,1115 2.28,1116 7.274,1117 28.004,1118 3.242,1119 17.381,1120 21.938,1121 15.838,1122 34.821,1123 15.954,1124 1.954,1125 6.117,1126 29.927,1127 3.037,1128 18.548,1129 23.438,1130 0.264,1131 37.253,1132 17.012,1133 14759,1134 25401,1135 24.849,1136 40.313,1137 56.322,1138 58.748,1139 56.929,1140 56.479,1141 56.366,1142 71.325,1143 11.398,1144 167.867,1145 51.468,1146 5.743,1147 7.18,1148 6.913,1149 5.324,1150 5.314,1151 7.577,1152 5.9,1153 18.903,1154 4.95,1155 16.004,1156 1.522,1157 1.588,1158 1.539,1159 1.526,1160 1.523,1161 1.928,1162 0.308,1163 4.537,1164 1.391,1165 4.112,1166 4.133,1167 4.729,1168 4.083,1169 7.714,1170 4.03,1171 4.03,1172 4.018,1173 4.333,1174 4.027,1175 6.999,1176 3.91,1177 3.814,1178 3.864,1179 3.823,1180 3.675,1181 5.245,1182 3.686,1183 3.735,1184 3.782,1185 3.667,1186 3.535,1187 5.011,1188 3.54,1189 3.637,1190 3.669,1191 3.603,1192 3.478,1193 4.616,1194 3.446,1195 3.307,1196 3.367,1197 3.333,1198 3.13,1199 4.577,1200 3.137,1201 3.111,1202 3.206,1203 2.98,1204 2.941,1205 4.35,1206 2.91,1207 3.111,1208 3.206,1209 2.903,1210 2.941,1211 4.168,1212 2.91,1213 0.128,1214 0.14,1215 0.192,1216 0.113,1217 0.09,1218 4.743,1219 0.124,1220 5.18,1221 0.08,1222 7.111,1223 0.315,1224 4.179,1225 0.081,1226 3.314,1227 4.577,1228 2.95,1229 11.657,1230 3.014,1231 1.935,1232 1.939,1233 2.032,1234 2.063,1235 1.485,1236 2.103,1237 1.891,1238 1.856,1239 1.965,1240 2.051,1241 1.22,1242 2.034,1243 1.717,1244 1.669,1245 1.855,1246 1.934,1247 1.043,1248 1.914,1249 1.618,1250 1.596,1251 1.717,1252 1.777,1253 0.946,1254 1.819,1255 1.557,1256 1.517,1257 1.609,1258 1.74,1259 0.84,1260 1.736,1261 1.403,1262 1.385,1263 1.513,1264 1.516,1265 0.825,1266 1.568,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.739,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.836,1286 6.843,1287 10.5,1289 1.342,1293 5.646,1295 6.58,1297 5.534,1299 -0.223,1300 4.562,1305 37.936,1306 107.386,1307 225.551,1308 289.659,1309 297.659,1310 297.659,1311 297.659,1312 60.964,1313 8.275,1314 127.43,1315 164.05,1316 29,1317 12.856,1318 4.248,1319 3.459,1320 47.716,1321 146,1322 141,1323 0.161,1324 236.562,1325 399.27,1326 568.97,1327 44798,1329 23.001,1330 0.697,1331 0.609,1332 23.605,1333 20.108,1334 15.864,1335 0.429,1336 0.372,1337 11.034,1338 13.886,1339 10.556,1340 8.608,1341 17.167,1342 13.76,1343 15.394,1344 0.285,1345 0.222,1346 17.45,1347 11.978,1348 12.298,1349 0.176,1350 0.127,1351 13.774,1352 8.88,1353 10.256,1354 0.11,1355 0.07,1356 11.675,1357 6.481,1358 8.624,1359 0.07,1360 0.037,1361 9.852,1362 4.591,1363 0.253,1364 113.413,1365 0.201,1366 30.586,1367 0.445,1368 182,1369 548.11,1370 261.367,1371 563.448,1372 763.75,1373 524,1374 215,1375 520.099,1376 296.246,1377 569.841,1378 832.44,1379 532,1380 9}
{0 CHEMBL1949917,1 1.881,2 9.931,3 0.917,4 0.841,5 112.445,6 8.712,7 0.5,8 4.048,9 4.155,10 3.913,11 3.579,12 5.129,13 3.544,14 4.616,15 4.786,16 4.233,17 3.965,18 5.888,19 3.921,20 4.777,21 4.946,22 4.188,23 4.084,24 5.917,25 4.013,26 4.859,27 5.074,28 4.229,29 4.113,30 5.957,31 4.005,32 4.78,33 4.989,34 4.285,35 4.153,36 5.779,37 4.028,38 4.769,39 4.937,40 4.24,41 4.136,42 5.862,43 4.029,44 4.733,45 4.916,46 4.141,47 4.005,48 5.846,49 3.919,50 4.768,51 5.006,52 4.006,53 3.885,54 5.876,55 3.806,56 0.156,57 0.862,58 11.516,59 4.684,60 20.504,61 5.203,62 0.686,63 1.337,64 24.924,65 7.947,66 64.381,67 8.988,68 0.64,69 1.519,70 32.347,71 9.87,72 60.247,73 10.903,74 0.757,75 1.573,76 33.198,77 10.413,78 85.033,79 12.423,80 0.478,81 1.526,82 33.892,83 11.862,84 36.993,85 13.951,86 0.518,87 1.57,88 33.325,89 11.037,90 37.782,91 12.371,92 0.521,93 1.434,94 27.616,95 9.046,96 45.787,97 11.137,98 0.697,99 1.35,100 26.986,101 7.892,102 56.186,103 10.802,104 29,105 47,106 0.315,107 0.654,108 0.805,109 0.805,110 0.805,111 0.805,112 3.409,113 1.087,114 -2.14,115 -2.19,116 -2.17,119 34,124 2,125 5,142 1,143 2,145 2,147 1,149 1,150 1,152 1,161 1,163 1,164 1,165 1,172 1,174 6,175 8,177 2,178 2,183 2,186 1,187 5,198 5,199 4,204 1,207 2,209 1,211 2,212 5,220 1,223 4,224 7,226 2,227 2,236 3,237 5,249 4,252 1,253 1,255 2,260 2,262 5,263 2,268 1,273 1,275 1318,276 19.074,277 19.074,278 19.074,279 19.074,280 19.074,281 16.929,282 21.848,283 11.029,284 19.907,285 15.821,286 15.821,287 15.821,288 15.821,289 15.821,290 12.401,291 27.964,292 5.307,293 17.227,294 3.763,295 1.735,296 0.83,297 0.83,298 0.83,299 0.83,300 4.1,304 1,305 1,306 615,307 3.742,310 63.747,311 248.28,314 117.307,318 1.593,319 37.634,322 1,323 0.83,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.85,330 64.5,331 288,332 4.738,333 4.372,334 7.059,335 4.235,336 3.301,337 4.581,338 0.86,339 11.378,340 3.063,341 4.633,342 3.331,343 6.752,344 4.146,345 3.21,346 4.503,347 0.8,348 11.102,349 3.001,350 4.151,351 2.89,352 6.106,353 3.731,354 2.772,355 3.776,356 0.657,357 8.936,358 2.659,359 3.841,360 2.817,361 5.852,362 3.5,363 2.605,364 3.233,366 8.206,367 2.326,368 3.662,369 2.498,370 5.18,371 3.204,372 2.297,373 3.036,375 6.357,376 2.08,377 3.346,378 2.33,379 5.04,380 2.984,381 2.054,382 2.591,384 6.043,385 1.894,386 3.013,387 2.206,388 4.688,389 2.64,390 1.755,391 2.121,393 4.817,394 1.54,395 2.882,396 1.798,397 4.392,398 2.391,399 1.452,400 2.027,402 4.171,403 1.358,404 2.52,405 1.547,406 4.216,407 2.165,408 1.259,409 1.5,411 3.487,412 1.132,413 2.5,414 1.421,415 3.754,416 2.095,417 1.233,418 1.487,420 2.942,421 1.05,422 2.386,423 1.256,424 3.414,425 1.952,426 1,427 1.373,428 2.275,429 0.946,430 2,431 1,432 3.399,433 1.917,434 1,435 1,436 2.136,437 0.916,438 1.94,439 0.639,440 3.247,441 1.445,442 0.556,443 0.753,445 1.611,446 0.486,447 1.183,448 0.471,449 2.885,450 0.746,451 -0.151,452 -0.19,454 -0.355,455 -0.134,456 1,457 0.021,458 2.726,459 0.627,460 -0.285,461 -0.336,463 -0.757,464 -0.259,465 13.967,466 0.482,467 0.949,468 0.033,469 38.5,470 1.328,471 18,472 0.621,473 20.5,474 0.707,475 25.688,476 0.886,477 32.233,478 0.645,479 29.3,480 1.01,481 7.183,482 0.248,483 6.625,484 0.228,485 0.148,486 0.06,487 0.308,493 0.726,494 1.605,495 0.767,496 1.233,497 0.746,498 0.982,499 0.951,500 0.867,501 0.919,502 0.817,503 0.555,504 0.719,505 1.283,506 1.281,507 1.296,508 1.198,509 1.13,510 1.071,511 1.049,512 0.836,513 0.795,514 0.741,515 1.277,516 0.94,517 0.502,518 1.01,519 0.904,520 1.053,521 0.454,522 0.892,523 0.782,524 1.17,525 1.358,526 1.441,527 0.726,528 1.235,529 0.78,530 1.412,531 1.044,532 1.295,533 0.582,534 1.259,535 0.865,536 1.005,537 0.754,538 0.807,539 0.714,540 0.988,541 7.5,542 0.211,543 3.556,544 1.757,545 1.578,546 1.323,547 0.895,548 0.484,549 0.522,550 0.377,551 9905,552 32762,553 2.061,554 42,556 17,558 2,559 2,564 1.726,565 1.902,566 3.292,567 0.399,569 1,573 94.061,574 1.881,575 3.909,576 4.814,577 4.814,578 4.814,579 4.814,580 2.777,581 4.349,582 4.824,583 3.481,584 1413.49,585 8.444,586 18788.8,588 1,591 282.193,592 1.636,593 4.769,594 0.234,595 0.009,596 0.076,597 0.038,598 0.038,599 0.029,600 0.02,601 0.012,602 0.015,603 0.013,604 0.484,605 0.33,606 0.88,607 1.107,608 145.289,609 -0.002,610 -0.355,611 0.175,612 -0.12,613 -0.159,614 -0.018,615 0.095,616 0.251,617 0.067,618 0.196,619 0.269,620 0.207,621 -0.268,622 -0.191,623 -0.259,624 -0.124,625 -0.124,626 -0.111,627 -0.126,628 0.155,629 0.061,630 0.155,631 -0.203,632 0.017,633 0.134,634 0.022,635 0.183,636 0.092,637 0.087,638 0.187,639 -0.006,640 -0.032,641 -0.225,642 -0.252,643 -0.036,644 -0.218,645 0.036,646 -0.342,647 -0.121,648 -0.305,649 0.031,650 -0.29,651 0.037,652 -0.038,653 0.029,654 -0.023,655 0.053,656 -0.069,657 4.192,658 4.788,659 0.724,660 28.839,661 1.021,662 1.137,663 0.915,664 0.837,665 0.681,666 3.497,667 3.871,668 4.111,669 4.369,670 4.673,671 4.828,672 5.069,673 5.263,674 5.366,675 5.472,676 6.223,677 0.647,678 435.59,679 3.497,680 5.069,681 5.922,682 6.819,683 7.698,684 8.6,685 9.491,686 10.397,687 11.296,688 12.205,689 14,692 1,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 50,733 18,735 32,737 53,738 17,739 10,746 4,747 5,761 10,762 7,766 2,769 1,771 2,778 1,781 21,782 10,783 2,784 12,785 2,790 7,794 0.75,795 3,806 2,811 1,812 3,815 1,839 1,840 3,842 2,844 2,848 29,849 1,852 1,854 5,856 1,859 2,865 1,870 6,873 2,874 1,877 15.25,878 9.617,879 6.111,880 2.718,881 3.059,882 1.397,883 1,884 5.665,885 10.764,886 3.761,887 4.428,888 4.951,889 5.563,890 6.171,891 6.608,892 7.139,893 7.633,894 7.955,895 8.342,896 0.857,897 46,898 10.875,900 4.826,901 7.894,902 20.337,904 16.907,905 2.394,906 69.417,910 223.651,911 109.734,912 104.682,914 55.313,916 37.085,917 72.649,918 278.964,919 104.682,920 15.587,921 15.502,922 48.181,923 146.314,924 30.824,925 5.585,926 231.386,928 223.651,929 177.331,930 55.313,931 37.085,933 225.979,934 44.313,935 11,937 37.331,938 70.529,939 72.95,940 31.278,941 223.651,942 159.995,943 109.734,945 5.807,946 223.651,947 60.768,948 47.801,950 155.352,951 223.651,952 159.995,953 109.734,955 0.599,956 0.333,957 0.164,958 0.098,959 24,960 11,961 0.094,962 5,963 1,964 1.095,965 3.93,966 265.255,967 0.095,968 21,969 130.881,970 1,973 1,974 20.355,975 8.071,976 4.482,977 1.68,978 159.995,979 5.16,980 17.525,983 1.451,984 3.046,986 32.897,987 493.38,988 42,991 -3.276,993 23.576,999 51.033,1000 56.863,1001 0.333,1002 0.693,1003 0.853,1004 0.853,1005 0.853,1006 0.853,1007 5.03,1008 1.452,1009 5.958,1010 4.817,1011 4.554,1012 5.115,1013 1.459,1014 6.817,1015 4.392,1016 6.282,1017 1.259,1018 7.556,1019 4.171,1020 4.369,1021 5.263,1022 0.325,1023 7.96,1024 4.142,1025 7.643,1026 1.233,1027 9.262,1028 3.487,1029 6.244,1030 7.462,1031 1.074,1032 10.982,1033 5.943,1034 9.042,1035 1,1036 11.033,1037 2.942,1038 6.836,1039 8.396,1040 0.268,1041 12.907,1042 6.471,1043 10.476,1044 1,1045 12.844,1046 2.275,1047 8.253,1048 10.154,1049 0.807,1050 15.513,1051 7.819,1052 11.934,1053 0.556,1054 14.683,1055 2.136,1056 9.173,1057 11.411,1058 0.188,1059 17.733,1060 8.673,1061 13.409,1062 -0.151,1063 16.543,1064 1.611,1065 10.426,1066 13.012,1067 0.608,1068 20.209,1069 9.859,1070 3.301,1071 -0.285,1072 18.418,1073 -0.355,1074 11.489,1075 14.409,1076 0.125,1077 22.545,1078 10.853,1079 3.21,1080 11.378,1081 20.305,1082 -0.757,1083 12.685,1084 15.952,1085 0.458,1086 24.979,1087 11.979,1088 2.772,1089 11.102,1090 22.202,1091 4.581,1092 13.809,1093 17.41,1094 0.082,1095 27.363,1096 13.034,1097 2.605,1098 8.936,1099 24.105,1100 4.503,1101 14.987,1102 18.932,1103 0.343,1104 29.785,1105 14.141,1106 2.297,1107 8.206,1108 26.015,1109 3.776,1110 16.14,1111 20.418,1112 0.054,1113 32.188,1114 15.222,1115 2.054,1116 6.357,1117 27.93,1118 3.233,1119 17.314,1120 21.933,1121 0.256,1122 34.607,1123 16.325,1124 1.755,1125 6.043,1126 29.848,1127 3.036,1128 18.48,1129 23.433,1130 0.035,1131 37.02,1132 17.419,1133 9599,1134 17611,1135 20.978,1136 34.029,1137 49.096,1138 50.37,1139 49.823,1140 49.004,1141 48.985,1142 63.96,1143 4.635,1144 146.919,1145 44.902,1146 5.738,1147 6.372,1148 6.86,1149 5.376,1150 5.301,1151 7.581,1152 1.72,1153 18.624,1154 4.985,1155 15.918,1156 1.534,1157 1.574,1158 1.557,1159 1.531,1160 1.531,1161 1.999,1162 0.145,1163 4.591,1164 1.403,1165 4.107,1166 4.127,1167 4.722,1168 4.077,1169 7.716,1170 4.028,1171 3.957,1172 3.934,1173 4.324,1174 3.915,1175 6.999,1176 3.781,1177 3.806,1178 3.855,1179 3.822,1180 3.67,1181 5.244,1182 3.678,1183 3.721,1184 3.762,1185 3.663,1186 3.525,1187 5.011,1188 3.53,1189 3.353,1190 3.411,1191 3.355,1192 3.163,1193 4.616,1194 3.169,1195 3.155,1196 3.244,1197 3.055,1198 2.941,1199 4.577,1200 2.924,1201 3.111,1202 3.206,1203 2.977,1204 2.929,1205 4.294,1206 2.91,1207 2.994,1208 3.081,1209 2.866,1210 2.782,1211 4.018,1212 2.774,1213 0.148,1214 0.137,1215 0.221,1216 0.132,1217 0.103,1218 4.738,1219 0.143,1220 4.372,1221 0.027,1222 7.059,1223 0.356,1224 4.235,1225 0.096,1226 3.301,1227 4.581,1228 0.86,1229 11.378,1230 3.063,1231 1.892,1232 1.857,1233 1.967,1234 2.059,1235 1.22,1236 2.036,1237 1.787,1238 1.807,1239 1.856,1240 1.94,1241 1.135,1242 1.994,1243 1.712,1244 1.664,1245 1.791,1246 1.928,1247 0.95,1248 1.914,1249 1.565,1250 1.523,1251 1.665,1252 1.757,1253 0.843,1254 1.741,1255 1.456,1256 1.457,1257 1.548,1258 1.562,1259 0.825,1260 1.618,1261 1.153,1262 1.064,1263 1.513,1264 1.382,1265 0.739,1266 1.43,1267 1.14,1268 1.044,1269 1.434,1270 1.376,1271 0.577,1272 1.429,1273 0.997,1274 0.925,1275 1.243,1276 1.278,1277 0.234,1278 1.29,1279 4.174,1281 5.533,1282 2.398,1283 7.074,1284 4.727,1285 8.694,1286 6.843,1287 10.357,1289 2.754,1293 5.59,1295 2.971,1297 5.467,1300 3.472,1305 32.356,1306 94.061,1307 195.438,1308 240.683,1309 240.683,1310 240.683,1311 240.683,1312 53.598,1313 7.704,1314 127.43,1315 164.05,1316 23,1317 12.723,1318 4.248,1319 3.459,1320 44.358,1321 108,1322 113,1323 0.205,1324 205.586,1325 342.43,1326 493.389,1327 20993,1329 20.596,1330 0.71,1331 0.61,1332 21.199,1333 17.702,1334 13.809,1335 0.432,1336 0.362,1337 8.969,1338 11.818,1339 8.488,1340 6.98,1341 15.111,1342 11.599,1343 13.578,1344 0.289,1345 0.212,1346 15.676,1347 9.955,1348 10.725,1349 0.179,1350 0.115,1351 12.243,1352 6.884,1353 8.374,1354 0.107,1355 0.058,1356 9.564,1357 4.501,1358 7.268,1359 0.069,1360 0.032,1361 8.547,1362 3.426,1363 0.314,1364 101.103,1365 0.218,1366 27.11,1367 0.589,1368 158,1369 524.11,1370 237.921,1371 539.373,1372 729.45,1373 500,1374 186,1375 494.258,1376 267.078,1377 547.316,1378 797,1379 509,1380 8.699}
{0 CHEMBL1949918,1 1.699,2 13.059,3 0.761,4 0.579,5 132.594,6 7.677,7 0.421,8 4.264,9 4.398,10 3.898,11 3.727,12 5.314,13 3.712,14 4.847,15 5.056,16 4.292,17 4.142,18 5.857,19 4.104,20 5.038,21 5.243,22 4.321,23 4.305,24 6.021,25 4.229,26 5.168,27 5.418,28 4.306,29 4.329,30 6.134,31 4.226,32 5.067,33 5.289,34 4.32,35 4.381,36 5.967,37 4.246,38 5.122,39 5.353,40 4.317,41 4.388,42 5.984,43 4.237,44 5.057,45 5.303,46 4.187,47 4.22,48 5.953,49 4.114,50 4.936,51 5.174,52 4.118,53 4.102,54 5.875,55 4.023,56 0.067,57 1.049,58 13.764,59 5.111,60 9.474,61 7.124,62 0.658,63 1.643,64 29.93,65 8.326,66 35.932,67 11.923,68 0.479,69 1.914,70 37.219,71 11.324,72 36.102,73 16.039,74 0.814,75 1.974,76 44.371,77 12.41,78 78.08,79 17.994,80 0.541,81 1.947,82 41.776,83 14.292,84 44.431,85 18.749,86 0.513,87 2.032,88 49.644,89 15.377,90 38.063,91 20.356,92 0.562,93 1.782,94 41.731,95 11.599,96 44.398,97 16.637,98 0.484,99 1.629,100 33.392,101 8.81,102 38.958,103 13.798,104 19,105 54,106 0.272,107 0.573,108 0.737,109 0.785,110 0.785,111 0.785,112 3.561,113 0.962,114 -2.64,115 -2.66,116 -2.59,119 34.9,124 2,125 9,142 1,143 2,145 2,147 1,149 1,150 1,152 1,159 1,161 1,163 1,164 1,165 1,172 1,174 6,175 8,177 2,178 2,183 2,186 2,187 5,198 5,199 4,204 1,207 2,209 1,211 4,212 1,220 1,223 4,224 7,226 2,227 2,236 1,237 6,249 1,250 4,252 1,253 1,255 2,260 2,262 7,263 2,268 1,273 1,275 2070,276 23.032,277 23.032,278 23.032,279 23.032,280 23.032,281 21.136,282 29.562,283 13.486,284 24.056,285 18.771,286 18.771,287 18.771,288 18.771,289 18.771,290 15.71,291 38.368,292 6.463,293 20.407,294 4.278,295 2.398,296 1.373,297 1.072,298 1.072,299 1.072,300 4.268,305 1,306 970,307 3.464,310 77.422,311 419.651,314 144.166,318 1.948,319 31.574,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 74.5,331 444,332 4.638,333 3.77,334 6.753,335 4.158,336 3.224,337 4.577,338 1.741,339 11.114,340 3.014,341 4.154,342 3.335,343 6.284,344 3.861,345 2.922,346 3.777,347 0.916,348 9.195,349 2.734,350 4.068,351 3.008,352 6.107,353 3.735,354 2.777,355 3.249,356 0.86,357 8.938,358 2.661,359 3.86,360 2.84,361 5.865,362 3.559,363 2.653,364 3.224,365 0.8,366 8.281,367 2.399,368 3.663,369 2.705,370 5.474,371 3.349,372 2.434,373 3.037,374 0.693,375 7.238,376 2.219,377 3.526,378 2.416,379 5.051,380 3.188,381 2.28,382 2.675,383 0.343,384 6.115,385 2.068,386 3.205,387 2.316,388 4.982,389 2.914,390 1.99,391 2.33,392 0.172,393 5.691,394 1.828,395 3.013,396 2.225,397 4.765,398 2.688,399 1.799,400 2.116,402 4.93,403 1.594,404 2.883,405 1.993,406 4.673,407 2.591,408 1.685,409 2.009,411 4.784,412 1.512,413 2.774,414 1.896,415 4.375,416 2.338,417 1.4,418 1.795,420 4.081,421 1.307,422 2.5,423 1.548,424 3.755,425 2.095,426 1.234,427 1.5,428 2.944,429 1.052,430 2.388,431 1.432,432 3.414,433 1.967,434 1,435 1.376,436 2.275,437 0.965,438 2.114,439 1.256,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1.146,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 2,457 1,458 3.254,459 1.733,460 0.724,461 0.882,463 1.652,464 0.717,465 16.1,466 0.474,467 0.87,468 0.026,469 41.5,470 1.221,471 16.5,472 0.485,473 25,474 0.735,475 33.23,476 0.977,477 37.9,478 0.602,479 32.475,480 0.955,481 8.09,482 0.238,483 8.385,484 0.247,485 0.108,487 0.348,493 0.898,494 1.735,495 0.751,496 1.194,497 0.702,498 1.047,499 1.126,500 0.822,501 0.845,502 0.68,503 0.605,504 0.718,505 1.035,506 1.304,507 1.075,508 1.187,509 0.796,510 1.105,511 1.188,512 0.828,513 0.934,514 0.805,515 1.681,516 0.883,517 0.729,518 1.012,519 1.142,520 1.143,521 0.893,522 1.051,523 0.552,524 1.175,525 1.4,526 1.526,527 0.417,528 1.204,529 0.995,530 1.151,531 1.087,532 1.114,533 0.828,534 1.012,535 0.988,536 1.185,537 0.933,538 1.073,539 0.793,540 1.085,541 7,542 0.188,543 3.778,544 2.132,545 1.68,546 1.449,547 0.877,548 0.425,549 0.427,550 0.279,551 17217,552 46027,553 2.127,554 46,556 25,558 2,559 2,564 1.762,565 2,566 3.646,567 0.293,573 107.05,574 1.699,575 3.58,576 4.604,577 4.906,578 4.906,579 4.906,580 3.129,581 4.676,582 5.053,583 3.837,584 2152.35,585 8.877,586 32878.6,591 376.569,592 1.379,593 5.023,594 0.184,595 0.006,596 0.07,597 0.039,598 0.033,599 0.028,600 0.018,601 0.009,602 0.01,603 0.007,604 0.404,605 0.33,606 0.63,607 0.812,608 182.238,609 -0.067,610 -0.451,611 0.086,612 -0.134,613 -0.036,614 -0.05,615 0.002,616 0.319,617 0.118,618 0.283,619 0.105,620 0.213,621 -0.091,622 -0.201,623 -0.088,624 -0.132,625 0.029,626 -0.11,627 -0.119,628 0.154,629 0.042,630 0.159,631 -0.181,632 0.088,633 0.037,634 0.059,635 -0.004,636 0.061,637 -0.052,638 0.013,639 0.121,640 -0.093,641 -0.093,642 -0.212,643 0.068,644 -0.117,645 -0.069,646 -0.14,647 -0.024,648 -0.065,649 -0.056,650 -0.014,651 -0.083,652 -0.134,653 -0.035,654 -0.149,655 -0.06,656 -0.129,657 1.592,658 5.226,659 0.794,660 40.339,661 1.008,662 1.142,663 1.406,664 1.977,665 0.654,666 3.664,667 4.007,668 4.29,669 4.564,670 4.844,671 4.99,672 5.22,673 5.403,674 5.545,675 5.71,676 7.645,677 0.62,678 483.67,679 3.664,680 5.22,681 6.08,682 6.965,683 7.844,684 8.737,685 9.626,686 10.524,687 11.419,688 12.321,689 14.3,692 1,693 1,695 1,696 2,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 63,733 17,735 38,737 67,738 22,739 10,746 5,747 6,751 1,761 11,762 11,766 1,771 1,775 1,781 29,782 11,783 2,784 12,785 1,790 9,794 0.8,795 2,806 2,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 2,848 34,849 1,854 9,856 1,859 4,865 1,870 3.2,873 1,874 1,877 17,878 11.933,879 7.333,880 3.704,881 2.944,882 1.353,883 0.995,884 6.996,885 11.285,886 3.871,887 4.451,888 5.033,889 5.626,890 6.202,891 6.63,892 7.141,893 7.621,894 7.965,895 8.36,896 0.889,897 55,898 12.586,900 5.343,901 7.652,902 24.37,904 20.172,905 2.152,906 73.167,910 317.82,911 117.831,912 112.537,914 36.145,916 31.278,917 86.553,918 353.965,919 112.537,920 16.793,921 30.173,922 42.373,923 127.146,924 32.43,925 9.861,926 325.555,928 317.82,929 199.09,930 36.145,931 31.278,933 320.148,934 25.145,935 11,937 53.609,938 76.011,939 67.142,940 31.278,941 317.82,942 148.681,943 117.831,946 317.82,947 73.467,948 56.861,950 136.184,951 317.82,952 148.681,953 117.831,955 0.588,956 0.34,957 0.177,958 0.101,959 27,960 12,961 0.06,962 4,963 1,964 1.074,965 4.478,966 328.459,967 0.074,968 27,969 156.219,970 1,974 23.456,975 10.14,976 5.217,977 2.003,978 148.681,979 5.538,980 17.981,983 1.688,984 3.713,986 32.897,987 584.332,988 47,993 12.226,997 0.075,999 63.483,1000 71.976,1001 0.284,1002 0.599,1003 0.77,1004 0.821,1005 0.821,1006 0.821,1007 5.136,1008 1.799,1009 6.071,1010 5.691,1011 4.691,1012 5.139,1013 2.4,1014 6.887,1015 4.533,1016 6.324,1017 1.685,1018 7.633,1019 4.93,1020 4.29,1021 4.977,1022 1.577,1023 7.774,1024 4.067,1025 7.628,1026 1.4,1027 9.292,1028 4.784,1029 6.293,1030 7.311,1031 2.77,1032 10.879,1033 5.994,1034 8.964,1035 1.234,1036 11.008,1037 4.081,1038 6.698,1039 8.007,1040 2.659,1041 12.595,1042 6.343,1043 10.336,1044 1,1045 12.761,1046 2.944,1047 8.174,1048 9.84,1049 3.566,1050 15.218,1051 7.746,1052 11.733,1053 1,1054 14.54,1055 2.275,1056 8.951,1057 10.947,1058 3.794,1059 17.293,1060 8.469,1061 13.148,1062 1,1063 16.338,1064 2.275,1065 10.214,1066 12.584,1067 4.547,1068 19.749,1069 9.663,1070 3.224,1071 0.724,1072 18.15,1073 2.136,1074 11.173,1075 13.898,1076 4.936,1077 21.991,1078 10.566,1079 2.922,1080 11.114,1081 19.975,1082 1.652,1083 12.35,1084 15.455,1085 5.6,1086 24.392,1087 11.676,1088 2.777,1089 9.195,1090 21.809,1091 4.577,1092 13.4,1093 16.873,1094 6.068,1095 26.712,1096 12.665,1097 2.653,1098 8.938,1099 23.651,1100 3.777,1101 14.546,1102 18.4,1103 6.683,1104 29.1,1105 13.745,1106 2.434,1107 8.281,1108 25.5,1109 3.249,1110 15.641,1111 19.869,1112 7.191,1113 31.458,1114 14.777,1115 2.28,1116 7.238,1117 27.354,1118 3.224,1119 16.779,1120 21.386,1121 7.779,1122 33.846,1123 15.85,1124 1.99,1125 6.115,1126 29.214,1127 3.037,1128 17.899,1129 22.88,1130 8.309,1131 36.225,1132 16.904,1133 16217,1134 26696,1135 25.66,1136 41.222,1137 57.871,1138 58.791,1139 58.738,1140 57.462,1141 57.36,1142 70.608,1143 11.052,1144 166.504,1145 52.847,1146 5.638,1147 5.77,1148 6.555,1149 5.303,1150 5.224,1151 7.577,1152 3.026,1153 18.359,1154 4.934,1155 16.433,1156 1.523,1157 1.547,1158 1.546,1159 1.512,1160 1.509,1161 1.858,1162 0.291,1163 4.382,1164 1.391,1165 4.099,1166 4.126,1167 4.334,1168 4.063,1169 7.428,1170 4.024,1171 3.858,1172 3.926,1173 3.823,1174 3.677,1175 5.245,1176 3.692,1177 3.805,1178 3.859,1179 3.761,1180 3.624,1181 5.012,1182 3.643,1183 3.725,1184 3.773,1185 3.663,1186 3.526,1187 4.616,1188 3.532,1189 3.565,1190 3.646,1191 3.451,1192 3.303,1193 4.578,1194 3.327,1195 3.323,1196 3.393,1197 3.327,1198 3.128,1199 4.379,1200 3.14,1201 3.111,1202 3.206,1203 2.989,1204 2.941,1205 4.236,1206 2.91,1207 3.111,1208 3.206,1209 2.97,1210 2.941,1211 4.15,1212 2.91,1213 0.122,1214 0.099,1215 0.178,1216 0.109,1217 0.085,1218 4.638,1219 0.12,1220 3.77,1221 0.046,1222 6.753,1223 0.292,1224 4.158,1225 0.079,1226 3.224,1227 4.577,1228 1.741,1229 11.114,1230 3.014,1231 1.892,1232 1.856,1233 1.989,1234 2.06,1235 1.304,1236 2.037,1237 1.796,1238 1.732,1239 1.96,1240 2.027,1241 1.219,1242 2.017,1243 1.714,1244 1.662,1245 1.855,1246 1.934,1247 0.963,1248 1.914,1249 1.571,1250 1.524,1251 1.78,1252 1.8,1253 0.909,1254 1.797,1255 1.529,1256 1.486,1257 1.701,1258 1.755,1259 0.829,1260 1.739,1261 1.423,1262 1.363,1263 1.519,1264 1.561,1265 0.825,1266 1.597,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.741,1278 1.429,1279 4.344,1281 5.68,1282 2.398,1283 7.207,1284 4.727,1285 8.817,1286 6.843,1287 10.473,1289 3.591,1293 5.662,1295 6.941,1297 5.553,1300 8.194,1305 39.077,1306 107.05,1307 225.51,1308 290.039,1309 309.059,1310 309.059,1311 309.059,1312 51.565,1313 8.341,1314 116.84,1315 145.08,1316 29,1317 12.844,1318 4.17,1319 3.322,1320 49.931,1321 157,1322 162,1323 0.157,1324 241.688,1325 408.63,1326 581.478,1327 49103,1329 23.656,1330 0.696,1331 0.597,1332 24.01,1333 20.292,1334 16.474,1335 0.434,1336 0.321,1337 11.194,1338 15.108,1339 10.849,1340 8.913,1341 16.883,1342 12.19,1343 15.194,1344 0.281,1345 0.181,1346 15.863,1347 9.787,1348 12.913,1349 0.179,1350 0.098,1351 13.633,1352 7.083,1353 10.486,1354 0.11,1355 0.056,1356 11.388,1357 5.298,1358 8.849,1359 0.07,1360 0.031,1361 9.709,1362 3.859,1363 0.247,1364 109.026,1365 0.197,1366 31.45,1367 0.429,1368 184,1369 546.805,1370 232.951,1371 541.71,1372 744.21,1373 510,1374 218,1375 533.283,1376 264.791,1377 554.636,1378 818.44,1379 518,1380 8.699}
{0 CHEMBL1949919,1 1.836,2 10.781,3 2.313,4 5.35,5 124.151,6 9.012,7 0.611,8 4.092,9 4.185,10 3.973,11 3.709,12 5.204,13 3.666,14 4.634,15 4.772,16 4.306,17 4.1,18 5.929,19 4.053,20 4.826,21 4.989,22 4.314,23 4.211,24 6.001,25 4.139,26 4.839,27 5.025,28 4.304,29 4.218,30 5.971,31 4.123,32 4.815,33 5.002,34 4.362,35 4.254,36 5.869,37 4.14,38 4.816,39 4.97,40 4.403,41 4.256,42 5.949,43 4.15,44 4.81,45 4.982,46 4.216,47 4.145,48 5.916,49 4.065,50 4.751,51 4.953,52 4.109,53 4.042,54 5.857,55 3.966,56 0.133,57 0.859,58 10.234,59 5.111,60 20.739,61 5.12,62 0.523,63 1.401,64 22.089,65 8.781,66 61.812,67 9.057,68 0.57,69 1.615,70 27.174,71 10.617,72 59.1,73 11.094,74 0.566,75 1.69,76 28.962,77 10.802,78 60.1,79 12.021,80 0.403,81 1.602,82 31.002,83 12.28,84 43.293,85 13.688,86 0.47,87 1.702,88 33.614,89 12.21,90 38.1,91 12.427,92 0.495,93 1.603,94 30.657,95 10.788,96 44.129,97 11.444,98 0.469,99 1.483,100 23.239,101 8.846,102 47.894,103 11.2,104 18,105 53,106 0.301,107 0.652,108 0.787,109 0.824,110 0.824,111 0.824,112 3.503,113 1.052,114 -3.85,115 -3.81,116 -3.61,119 40.4,124 1,125 4,142 5,143 3,144 1,145 2,147 1,149 1,150 1,152 1,161 1,163 1,164 1,165 1,172 5,174 4,175 8,177 2,178 2,183 8,186 1,187 7,195 7,198 5,199 8,204 1,207 6,209 1,211 1,212 7,220 4,223 2,224 14,226 2,227 2,232 2,236 1,237 9,245 2,249 2,250 5,252 1,253 1,255 2,258 1,260 2,262 6,263 6,268 1,271 1,273 1,275 1644,276 21.436,277 21.436,278 21.436,279 21.436,280 21.436,281 18.683,282 16.769,283 12.433,284 22.375,285 17.826,286 17.826,287 17.826,288 17.826,289 17.826,290 13.514,291 19.846,292 5.975,293 19.411,294 3.864,295 1.718,296 0.892,297 0.668,298 0.668,299 0.668,300 4.21,304 1,305 1,306 755,307 3.317,310 66.654,311 370.171,314 124.423,318 1.684,319 39.182,322 1,323 0.67,324 1,325 0.8,327 0.83,328 1,329 0.76,330 70,331 345,332 4.809,333 5.18,334 7.118,335 4.212,336 3.329,337 4.675,338 2.95,339 11.704,340 3.036,341 4.651,342 3.329,343 6.766,344 4.152,345 3.23,346 4.586,347 0.86,348 11.158,349 2.874,350 4.194,351 2.922,352 6.166,353 3.772,354 2.821,355 3.813,356 0.8,357 9.169,358 2.676,359 4.038,360 2.83,361 6.093,362 3.663,363 2.722,364 3.594,366 8.874,367 2.549,368 3.7,369 2.657,370 5.698,371 3.332,372 2.406,373 3.096,375 7.585,376 2.211,377 3.647,378 2.447,379 5.045,380 3.171,381 2.254,382 3.023,384 6.093,385 2.059,386 3.251,387 2.322,388 4.74,389 2.758,390 1.829,391 2.544,393 5.105,394 1.7,395 3.013,396 2.185,397 4.675,398 2.63,399 1.716,400 2.132,402 4.805,403 1.539,404 2.91,405 1.577,406 4.399,407 2.391,408 1.442,409 2.064,411 4.183,412 1.364,413 2.661,414 1.539,415 4.134,416 2.13,417 1.235,418 1.721,420 3.264,421 1.12,422 2.517,423 1.387,424 3.753,425 2.096,426 1.156,427 1.525,428 2.94,429 1.055,430 2.5,431 1.256,432 3.477,433 1.978,434 1.017,435 1.5,436 2.464,437 0.964,438 2.383,439 1.02,440 3.414,441 1.952,442 1,443 1.37,445 2.275,446 0.946,447 2,448 1,449 3.398,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.939,457 0.655,458 3.247,459 1.434,460 0.552,461 0.751,463 1.603,464 0.478,465 15.567,466 0.486,467 0.963,468 0.03,469 46,470 1.438,471 24,472 0.75,473 22,474 0.688,475 26.574,476 0.83,477 33.633,478 0.647,479 35.645,480 1.114,481 8.576,482 0.268,483 6.805,484 0.213,485 0.101,486 0.054,487 0.315,493 0.7,494 1.292,495 0.76,496 1.062,497 0.741,498 0.863,499 0.948,500 0.879,501 0.933,502 0.888,503 0.589,504 0.781,505 1.222,506 1.083,507 1.006,508 0.908,509 1.091,510 0.935,511 0.88,512 0.879,513 1.011,514 0.944,515 0.945,516 0.972,517 0.644,518 0.99,519 0.779,520 0.886,521 0.644,522 0.897,523 0.771,524 1.171,525 1.349,526 1.406,527 0.688,528 1.15,529 1.007,530 1.248,531 1.225,532 1.262,533 0.839,534 1.159,535 0.695,536 1.08,537 0.727,538 0.927,539 0.582,540 1.056,541 7.5,542 0.272,543 4,544 1.882,545 1.823,546 1.605,547 0.8,548 0.601,549 0.385,550 0.384,551 13535,552 42973,553 2.127,554 38.5,556 16,558 2,559 2,564 1.751,565 1.99,566 3.408,567 0.301,569 1,573 95.481,574 1.836,575 3.983,576 4.809,577 5.032,578 5.032,579 5.032,580 2.891,581 4.304,582 4.968,583 3.582,584 1776.61,585 8.729,586 25191.9,591 296.423,592 1.54,593 4.926,594 0.208,595 0.009,596 0.075,597 0.036,598 0.036,599 0.031,600 0.015,601 0.013,602 0.009,603 0.01,604 0.443,605 0.33,606 0.63,607 0.688,608 165.535,609 -0.003,610 -0.157,611 0.149,612 -0.029,613 -0.164,614 0.028,615 0.056,616 0.2,617 0.018,618 0.111,619 0.232,620 0.124,621 -0.213,622 -0.064,623 -0.09,624 0.05,625 -0.101,626 -0.004,627 -0.06,628 0.166,629 -0.053,630 0.034,631 -0.097,632 -0.015,633 0.048,634 -0.015,635 0.193,636 0.139,637 0.029,638 0.129,639 0.012,640 -0.08,641 -0.138,642 -0.217,643 0.007,644 -0.157,645 -0.117,646 -0.207,647 -0.221,648 -0.249,649 -0.106,650 -0.205,651 0.069,652 -0.1,653 0.033,654 -0.1,655 0.045,656 -0.104,657 4.221,658 5.016,659 0.844,660 32.438,661 1.018,662 1.122,663 2.616,664 6.846,665 0.712,666 3.611,667 3.989,668 4.263,669 4.554,670 4.868,671 5.03,672 5.257,673 5.468,674 5.645,675 5.793,676 6.623,677 0.68,678 468.61,679 3.611,680 5.187,681 6.052,682 6.956,683 7.843,684 8.752,685 9.65,686 10.562,687 11.468,688 12.382,689 11.5,693 1,695 1,699 4,703 2,704 7,705 4,708 1,709 7,711 22,722 1,726 1,731 52,733 24,734 1,735 36,737 56,738 21,739 16,740 2,741 4,746 5,747 6,761 16,762 5,766 2,769 1,771 2,778 1,781 20,782 9,783 2,784 11,785 2,790 6,794 0.8,795 3,806 2,811 1,812 4,815 1,839 1,840 4,842 2,844 1,848 32,849 1,851 1,854 4,856 1,859 1,865 1,870 5.8,873 2,874 1,877 16.083,878 9.75,879 6.722,880 2.919,881 4.017,882 1.488,883 1.036,884 5.536,885 12.254,886 3.912,887 4.598,888 5.191,889 5.831,890 6.461,891 6.918,892 7.468,893 7.993,894 8.462,895 8.927,896 1,897 53,898 11.99,900 5.413,901 7.852,902 22.484,904 19.059,905 2.352,906 75.25,910 211.88,911 142.111,912 103.164,914 55.313,916 37.324,917 104.788,918 267.193,919 103.164,920 7.19,921 13.396,922 86.324,923 146.314,924 34.042,925 5.585,926 219.615,928 211.88,929 207.951,930 55.313,931 37.324,933 214.208,934 44.313,935 11,937 33.707,938 104.774,939 73.188,940 31.278,941 211.88,942 158.476,943 142.111,945 6.046,946 211.88,947 63.399,948 75.791,950 155.352,951 211.88,952 158.476,953 142.111,955 0.596,956 0.337,957 0.177,958 0.105,959 28,960 12,961 0.071,962 4,963 1,964 1.074,965 4.207,966 313.467,967 0.074,968 27,969 150,970 1,973 1,974 21.197,975 8.358,976 4.341,977 1.713,978 158.476,979 12.182,980 17.722,983 1.49,984 4.203,986 32.897,987 512.468,988 49,991 -3.305,993 24.033,999 52.931,1000 58.364,1001 0.322,1002 0.699,1003 0.844,1004 0.883,1005 0.883,1006 0.883,1007 5.173,1008 1.716,1009 6.08,1010 5.105,1011 4.673,1012 5.286,1013 3.037,1014 6.946,1015 4.51,1016 6.429,1017 1.442,1018 7.677,1019 4.805,1020 4.443,1021 5.366,1022 0.325,1023 8.078,1024 4.158,1025 7.786,1026 1.235,1027 9.383,1028 4.183,1029 6.361,1030 7.641,1031 5.037,1032 11.126,1033 6.03,1034 9.185,1035 1.156,1036 11.154,1037 3.264,1038 6.929,1039 8.534,1040 0.268,1041 13.055,1042 6.46,1043 10.618,1044 1.017,1045 12.966,1046 2.94,1047 8.368,1048 10.336,1049 7.186,1050 15.675,1051 7.849,1052 12.076,1053 1,1054 14.807,1055 2.464,1056 9.276,1057 11.578,1058 0.188,1059 17.905,1060 8.623,1061 13.553,1062 1,1063 16.668,1064 2.275,1065 10.541,1066 13.207,1067 9.348,1068 20.393,1069 9.822,1070 3.329,1071 0.552,1072 18.545,1073 2.136,1074 11.6,1075 14.605,1076 0.125,1077 22.743,1078 10.755,1079 3.23,1080 11.704,1081 20.433,1082 1.603,1083 12.802,1084 16.169,1085 11.511,1086 25.191,1087 11.876,1088 2.821,1089 11.158,1090 22.331,1091 4.675,1092 13.927,1093 17.638,1094 0.082,1095 27.592,1096 12.885,1097 2.722,1098 9.169,1099 24.236,1100 4.586,1101 15.11,1102 19.178,1103 13.675,1104 30.03,1105 13.977,1106 2.406,1107 8.874,1108 26.147,1109 3.813,1110 16.265,1111 20.68,1112 0.054,1113 32.453,1114 15.022,1115 2.254,1116 7.585,1117 28.064,1118 3.594,1119 17.445,1120 22.212,1121 15.838,1122 34.891,1123 16.105,1124 1.829,1125 6.093,1126 29.986,1127 3.096,1128 18.615,1129 23.73,1130 0.035,1131 37.324,1132 17.169,1133 12733,1134 22862,1135 24.156,1136 37.023,1137 55.594,1138 57.668,1139 55.915,1140 55.512,1141 55.42,1142 74.786,1143 9.22,1144 166.716,1145 50.97,1146 5.809,1147 7.18,1148 6.92,1149 5.357,1150 5.329,1151 7.675,1152 5.9,1153 18.955,1154 5.036,1155 15.302,1156 1.544,1157 1.602,1158 1.553,1159 1.542,1160 1.539,1161 2.077,1162 0.256,1163 4.631,1164 1.416,1165 4.14,1166 4.146,1167 4.736,1168 4.144,1169 7.716,1170 4.079,1171 4.015,1172 4.003,1173 4.336,1174 4.003,1175 6.999,1176 3.919,1177 3.811,1178 3.858,1179 3.83,1180 3.685,1181 5.245,1182 3.687,1183 3.734,1184 3.771,1185 3.685,1186 3.57,1187 5.018,1188 3.554,1189 3.605,1190 3.615,1191 3.623,1192 3.494,1193 4.696,1194 3.466,1195 3.234,1196 3.291,1197 3.311,1198 3.065,1199 4.616,1200 3.076,1201 3.111,1202 3.206,1203 2.979,1204 2.941,1205 4.557,1206 2.91,1207 2.994,1208 3.067,1209 2.866,1210 2.797,1211 4.195,1212 2.804,1213 0.134,1214 0.144,1215 0.198,1216 0.117,1217 0.092,1218 4.809,1219 0.13,1220 5.18,1221 0.082,1222 7.118,1223 0.325,1224 4.212,1225 0.084,1226 3.329,1227 4.675,1228 2.95,1229 11.704,1230 3.036,1231 1.987,1232 2,1233 2.002,1234 2.061,1235 1.237,1236 2.077,1237 1.89,1238 1.855,1239 1.956,1240 2.022,1241 1.216,1242 2.033,1243 1.714,1244 1.668,1245 1.855,1246 1.933,1247 0.952,1248 1.914,1249 1.594,1250 1.61,1251 1.676,1252 1.759,1253 0.878,1254 1.761,1255 1.555,1256 1.518,1257 1.584,1258 1.682,1259 0.825,1260 1.726,1261 1.281,1262 1.272,1263 1.513,1264 1.376,1265 0.755,1266 1.429,1267 1.153,1268 1.064,1269 1.321,1270 1.373,1271 0.533,1272 1.4,1273 0.995,1274 0.926,1275 1.207,1276 1.25,1277 0.233,1278 1.273,1279 4.29,1281 5.652,1282 2.398,1283 7.204,1284 4.727,1285 8.837,1286 6.862,1287 10.514,1289 1.208,1293 5.627,1295 2.69,1297 5.508,1300 2.179,1305 35.335,1306 95.481,1307 207.108,1308 250.058,1309 261.668,1310 261.668,1311 261.668,1312 55.027,1313 8.237,1314 124.19,1315 160.81,1316 29,1317 12.897,1318 4.644,1319 3.807,1320 45.395,1321 129,1322 132,1323 0.176,1324 220.985,1325 369.45,1326 530.963,1327 41233,1329 22.294,1330 0.697,1331 0.589,1332 22.898,1333 18.858,1334 15.381,1335 0.427,1336 0.351,1337 9.981,1338 13.517,1339 9.518,1340 7.806,1341 16.684,1342 12.618,1343 14.958,1344 0.282,1345 0.198,1346 16.988,1347 10.476,1348 12.105,1349 0.173,1350 0.105,1351 13.636,1352 7.348,1353 10.081,1354 0.107,1355 0.055,1356 11.521,1357 5.216,1358 8.792,1359 0.068,1360 0.03,1361 10.2,1362 3.855,1363 0.271,1364 109.901,1365 0.203,1366 29.412,1367 0.503,1368 178,1369 558.465,1370 255.285,1371 579.138,1372 791.33,1373 538,1374 212,1375 546.329,1376 291.974,1377 600.916,1378 880.55,1379 562,1380 9}
{0 CHEMBL1949920,1 1.713,2 11.5,3 5.697,4 32.46,5 121.086,6 9.082,7 0.647,8 4.001,9 4.091,10 3.784,11 3.667,12 5.14,13 3.628,14 4.509,15 4.636,16 4.201,17 4.083,18 5.617,19 4.025,20 4.737,21 4.88,22 4.354,23 4.225,24 5.852,25 4.152,26 4.795,27 4.934,28 4.348,29 4.265,30 5.939,31 4.16,32 4.8,33 4.964,34 4.167,35 4.201,36 5.925,37 4.071,38 4.71,39 4.911,40 4.112,41 4.04,42 5.769,43 3.921,44 4.554,45 4.727,46 4.001,47 3.938,48 5.695,49 3.844,50 4.526,51 4.714,52 3.872,53 3.924,54 5.513,55 3.809,56 0.064,57 0.659,58 6.926,59 4.103,60 6.882,61 4.692,62 0.211,63 1.093,64 14.989,65 7.285,66 16.25,67 8.102,68 0.302,69 1.328,70 24.513,71 10.069,72 25.413,73 11.062,74 0.323,75 1.409,76 28.536,77 11.416,78 38.372,79 11.766,80 0.442,81 1.41,82 36.002,83 12.555,84 50.092,85 13.373,86 0.357,87 1.285,88 29.258,89 10.804,90 42.606,91 12.345,92 0.457,93 1.124,94 23.304,95 8.583,96 46.634,97 9.321,98 0.213,99 1.114,100 20.237,101 8.337,102 24.946,103 9.828,104 10,105 49,106 0.285,107 0.634,108 0.787,109 0.887,110 0.9,111 0.9,112 3.441,113 0.947,114 -5.14,115 -5.04,116 -4.72,119 47.9,121 1,124 1,125 1,142 9,143 3,144 3,146 1,151 1,152 2,158 1,168 1,172 9,174 1,175 6,180 1,183 13,187 12,192 1,195 12,199 8,204 2,207 9,211 1,212 9,217 1,220 9,224 3,227 1,229 1,232 8,236 2,237 7,245 10,250 3,255 3,258 9,263 1,268 1,271 7,275 1390,276 20.568,277 20.568,278 20.568,279 20.568,280 20.568,281 17.908,282 15.614,283 11.966,284 21.116,285 16.766,286 16.766,287 16.766,288 16.766,289 16.766,290 12.65,291 15.921,292 5.657,293 17.705,294 3.872,295 1.779,296 0.86,297 0.266,298 0.182,299 0.182,300 4.15,301 1,305 1,306 768,307 3.24,310 123.426,311 157.41,312 71.258,315 104.76,316 116.696,318 1.933,319 25.048,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 63.833,331 345,332 4.574,333 3.737,334 6.763,335 4.179,336 3.229,337 4.284,338 1.2,339 11.09,340 3.067,341 4.355,342 3.295,343 6.614,344 4.008,345 3.056,346 3.937,347 0.86,348 10.37,349 2.902,350 4.218,351 3.123,352 6.176,353 3.816,354 2.85,355 3.831,356 0.293,357 9.185,358 2.746,359 3.972,360 2.873,361 5.996,362 3.551,363 2.598,364 3.489,366 8.428,367 2.452,368 3.677,369 2.639,370 5.668,371 3.274,372 2.309,373 3.033,375 7.352,376 2.217,377 3.222,378 2.193,379 4.906,380 2.761,381 1.815,382 2.522,384 5.116,385 1.733,386 3.047,387 2.169,388 4.742,389 2.724,390 1.79,391 2.218,393 4.96,394 1.638,395 3.02,396 1.79,397 4.434,398 2.652,399 1.718,400 2.147,402 4.431,403 1.59,404 2.859,405 1.741,406 4.069,407 2.351,408 1.414,409 2.009,411 3.22,412 1.253,413 2.651,414 1.576,415 3.879,416 2.163,417 1.193,418 1.67,420 2.938,421 1.139,422 2.496,423 1.183,424 3.605,425 2.016,426 1.047,427 1.484,428 2.687,429 1.006,430 2.283,431 1.062,432 3.403,433 1.842,434 0.913,435 1.195,436 2.184,437 0.84,438 2.128,439 1.027,440 3.297,441 1.657,442 0.753,443 1.036,445 1.949,446 0.666,447 2.118,448 0.774,449 3.197,450 1.603,451 0.618,452 0.927,454 1.372,455 0.608,456 1.922,457 0.618,458 3,459 1.46,460 0.459,461 0.618,463 1.07,464 0.443,465 14.914,466 0.497,467 0.73,468 0.024,469 41.75,470 1.392,471 22.5,472 0.75,473 19.25,474 0.642,475 25.361,476 0.845,477 30.086,478 0.627,479 30.523,480 1.017,481 8.125,482 0.271,483 6.489,484 0.216,485 0.104,487 0.362,493 0.678,494 0.994,495 0.597,496 0.795,497 0.564,498 0.772,499 0.922,500 0.931,501 0.709,502 0.756,503 0.653,504 0.764,505 1.022,506 1.014,507 0.896,508 1.008,509 0.855,510 0.916,511 1.255,512 1.11,513 1.228,514 1.204,515 1.446,516 1.098,517 1.045,518 1.1,519 1.49,520 1.411,521 1.092,522 1.225,523 1.011,524 0.978,525 0.737,526 0.907,527 1.371,528 0.943,529 1.169,530 0.943,531 1.027,532 0.926,533 1.466,534 0.911,535 0.822,536 1.106,537 0.924,538 1.069,539 0.864,540 1.093,541 5,542 0.128,543 4,544 2.41,545 1.881,546 1.094,547 0.604,548 0.506,549 0.298,550 0.191,551 12321,552 36043,553 2.165,554 37.5,556 14,557 1,559 1,561 2,564 1.728,565 2.045,566 3.486,567 -0.349,573 82.223,574 1.713,575 3.806,576 4.725,577 5.319,578 5.403,579 5.403,580 2.966,581 4.574,582 4.876,583 3.654,584 1589.32,585 8.507,586 21481,591 268.078,592 1.347,593 4.848,594 0.147,595 0.006,596 0.082,597 0.045,598 0.038,599 0.025,600 0.016,601 0.014,602 0.009,603 0.007,604 0.389,605 0.33,606 0.88,607 0.496,608 153.146,609 0.013,610 0.033,611 0.039,612 0.033,613 -0.04,614 0.032,615 -0.044,616 0.102,617 0.062,618 0.145,619 -0.009,620 0.098,621 -0.021,622 -0.031,623 0.046,624 -0.024,625 0.025,626 0.01,627 -0.163,628 -0.115,629 -0.14,630 -0.132,631 -0.15,632 -0.158,633 -0.023,634 -0.122,635 -0.285,636 -0.277,637 0.014,638 -0.222,639 0.016,640 -0.021,641 0.178,642 0.106,643 -0.045,644 0.075,645 0.009,646 0.069,647 -0.038,648 0.084,649 -0.047,650 0.045,651 -0.066,652 -0.113,653 -0.061,654 -0.104,655 -0.077,656 -0.113,657 1.739,658 6.157,659 0.833,660 30.4,661 1.009,662 1.106,663 3.915,664 15.326,665 0.74,666 3.555,667 3.912,668 4.248,669 4.533,670 4.736,671 4.92,672 5.088,673 5.268,674 5.455,675 5.568,676 6.747,677 0.703,678 435.96,679 3.555,680 5.118,681 5.999,682 6.895,683 7.789,684 8.691,685 9.591,686 10.495,687 11.399,688 12.306,689 6.3,696 1,697 1,699 1,704 10,705 1,706 1,708 1,709 9,711 22,719 1,729 1,730 1,731 48,733 23,734 2,735 34,737 52,738 23,739 19,740 5,741 7,742 1,746 5,747 8,748 1,755 1,758 1,761 20,762 3,766 1,771 1,775 1,781 18,782 4,783 1,784 7,785 2,790 3,794 0.6,795 2,803 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,844 1,845 1,848 30,854 2,856 1,859 1,865 1,869 1,870 4.2,873 1,875 1,877 14.667,878 9.126,879 6.472,880 2.825,881 3.798,882 1.46,883 1.042,884 5.191,885 12.063,886 3.85,887 4.483,888 5.119,889 5.712,890 6.165,891 6.541,892 6.968,893 7.401,894 7.836,895 8.213,896 0.875,897 53,898 11.084,900 4.825,901 7.687,902 21.218,904 17.853,905 2.187,906 65.611,910 200.109,911 172.37,912 36.45,913 39.149,914 36.145,916 31.278,917 141.093,918 275.402,919 36.45,920 8.396,921 10.251,922 94.334,923 46.513,924 51.477,925 14.488,926 219.615,927 39.149,928 200.109,929 177.543,930 36.145,931 70.426,933 176.567,934 59.687,937 29.671,938 131.209,939 55.812,940 31.278,941 200.109,942 72.595,943 211.519,946 200.109,947 69.64,948 105.854,949 16.663,950 91.956,951 200.109,952 72.595,953 211.519,955 0.589,956 0.361,957 0.197,958 0.099,959 26,960 11,961 0.058,962 3,963 2,964 1.16,965 4.124,966 285.001,967 0.16,968 25,969 147.207,970 1,974 19.493,975 7.988,976 3.613,978 55.932,979 19.158,980 4.247,981 2.84,983 1.496,984 7.817,986 16.663,987 484.223,988 46,993 13.157,997 -0.072,999 48.429,1000 53.099,1001 0.307,1002 0.681,1003 0.846,1004 0.952,1005 0.967,1006 0.967,1007 5.097,1008 1.718,1009 5.994,1010 4.96,1011 4.595,1012 5.17,1013 1.679,1014 6.847,1015 4.49,1016 6.316,1017 1.414,1018 7.58,1019 4.431,1020 4.205,1021 4.945,1022 0.325,1023 7.813,1024 4.03,1025 7.633,1026 1.193,1027 9.269,1028 3.22,1029 6.229,1030 7.382,1031 1.728,1032 10.953,1033 6.034,1034 8.99,1035 1.047,1036 11.017,1037 2.938,1038 6.698,1039 8.022,1040 0.653,1041 12.743,1042 6.431,1043 10.379,1044 0.913,1045 12.804,1046 2.687,1047 8.163,1048 9.874,1049 1.872,1050 15.386,1051 7.875,1052 11.792,1053 0.753,1054 14.615,1055 2.184,1056 9.006,1057 10.906,1058 1.001,1059 17.5,1060 8.647,1061 13.222,1062 0.618,1063 16.443,1064 1.949,1065 10.263,1066 12.519,1067 2.071,1068 19.974,1069 9.875,1070 3.229,1071 0.459,1072 18.284,1073 1.372,1074 11.271,1075 13.742,1076 1.37,1077 22.229,1078 10.816,1079 3.056,1080 11.09,1081 20.135,1082 1.07,1083 12.45,1084 15.249,1085 2.309,1086 24.64,1087 11.959,1088 2.85,1089 10.37,1090 21.992,1091 4.284,1092 13.531,1093 16.568,1094 1.754,1095 26.96,1096 12.978,1097 2.598,1098 9.185,1099 23.856,1100 3.937,1101 14.683,1102 18.028,1103 2.576,1104 29.35,1105 14.087,1106 2.309,1107 8.428,1108 25.724,1109 3.831,1110 15.798,1111 19.396,1112 2.143,1113 31.702,1114 15.145,1115 1.815,1116 7.352,1117 27.595,1118 3.489,1119 16.943,1120 20.837,1121 2.865,1122 34.086,1123 16.242,1124 1.79,1125 5.116,1126 29.471,1127 3.033,1128 18.074,1129 22.233,1130 2.535,1131 36.455,1132 17.318,1133 11369,1134 19592,1135 23.175,1136 35.523,1137 52.491,1138 53.155,1139 53.026,1140 51.79,1141 51.524,1142 68.799,1143 4.706,1144 152.704,1145 48.6,1146 5.449,1147 5.737,1148 6.448,1149 5.33,1150 5.229,1151 7.284,1152 2.293,1153 18.499,1154 5.067,1155 12.083,1156 1.544,1157 1.563,1158 1.56,1159 1.523,1160 1.515,1161 2.024,1162 0.138,1163 4.491,1164 1.429,1165 4.079,1166 4.095,1167 4.293,1168 4.063,1169 7.428,1170 4.026,1171 3.928,1172 3.962,1173 4.004,1174 3.849,1175 5.047,1176 3.847,1177 3.868,1178 3.902,1179 3.92,1180 3.802,1181 4.934,1182 3.783,1183 3.655,1184 3.687,1185 3.646,1186 3.522,1187 4.823,1188 3.533,1189 3.447,1190 3.503,1191 3.368,1192 3.264,1193 4.453,1194 3.267,1195 3.283,1196 3.341,1197 3.295,1198 3.102,1199 4.345,1200 3.088,1201 2.915,1202 2.958,1203 3.249,1204 2.801,1205 4.287,1206 2.774,1207 2.879,1208 2.922,1209 2.803,1210 2.764,1211 4.026,1212 2.759,1213 0.135,1214 0.11,1215 0.199,1216 0.123,1217 0.095,1218 4.574,1219 0.126,1220 3.737,1221 0.035,1222 6.763,1223 0.326,1224 4.179,1225 0.09,1226 3.229,1227 4.284,1228 1.2,1229 11.09,1230 3.067,1231 1.922,1232 1.91,1233 1.987,1234 1.99,1235 1.174,1236 1.995,1237 1.891,1238 1.867,1239 1.981,1240 1.983,1241 1.108,1242 1.987,1243 1.665,1244 1.634,1245 1.841,1246 1.797,1247 1.081,1248 1.812,1249 1.498,1250 1.493,1251 1.65,1252 1.687,1253 0.742,1254 1.667,1255 1.434,1256 1.387,1257 1.616,1258 1.662,1259 0.683,1260 1.659,1261 1.269,1262 1.2,1263 1.423,1264 1.497,1265 0.574,1266 1.48,1267 1.187,1268 1.117,1269 1.339,1270 1.369,1271 0.479,1272 1.409,1273 0.994,1274 0.943,1275 1.144,1276 1.164,1277 0.219,1278 1.187,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.73,1286 7.424,1287 10.394,1289 1.752,1290 6.283,1295 1.316,1297 6.017,1300 1.603,1305 33.723,1306 82.223,1307 182.678,1308 226.794,1309 255.323,1310 259.323,1311 259.323,1312 45.203,1313 8.265,1314 58.22,1315 86.46,1316 29,1317 12.824,1318 4.585,1319 3.7,1320 41.625,1321 122,1322 112,1323 0.169,1324 210.065,1325 356.32,1326 504.319,1327 47348,1328 2.1,1329 20.665,1330 0.689,1331 0.592,1332 21.518,1333 17.757,1334 14.614,1335 0.43,1336 0.316,1337 9.535,1338 13.448,1339 9.202,1340 7.575,1341 15.311,1342 10.737,1343 13.272,1344 0.271,1345 0.174,1346 14.258,1347 8.509,1348 12.06,1349 0.175,1350 0.097,1351 13.293,1352 6.708,1353 10.151,1354 0.11,1355 0.055,1356 11.479,1357 5.105,1358 7.777,1359 0.069,1360 0.03,1361 8.854,1362 3.358,1363 0.263,1364 98.005,1365 0.208,1366 28.178,1367 0.467,1368 166,1369 476.158,1370 218.423,1371 513.613,1372 704.65,1373 482,1374 201,1375 491.035,1376 251.314,1377 523.29,1378 774.11,1379 494,1380 8.523}
{0 CHEMBL1949921,1 1.706,2 10.63,3 5.185,4 26.888,5 108.372,6 9.402,7 0.567,8 3.854,9 3.93,10 3.669,11 3.558,12 5.049,13 3.514,14 4.36,15 4.477,16 4.087,17 3.967,18 5.491,19 3.902,20 4.617,21 4.744,22 4.291,23 4.131,24 5.804,25 4.06,26 4.682,27 4.818,28 4.255,29 4.15,30 5.897,31 4.042,32 4.629,33 4.783,34 4.041,35 4.058,36 5.84,37 3.922,38 4.518,39 4.711,40 3.975,41 3.893,42 5.649,43 3.764,44 4.353,45 4.526,46 3.805,47 3.725,48 5.632,49 3.636,50 4.239,51 4.425,52 3.545,53 3.623,54 5.352,55 3.527,56 0.034,57 0.51,58 5.2,59 3.464,60 8.42,61 3.924,62 0.192,63 0.881,64 12.273,65 6.326,66 16.215,67 6.917,68 0.271,69 1.128,70 20.701,71 8.882,72 25.503,73 9.421,74 0.327,75 1.234,76 25.44,77 10.206,78 49.295,79 9.971,80 0.414,81 1.164,82 32.023,83 10.949,84 56.355,85 11.18,86 0.261,87 1.058,88 24.121,89 9.085,90 43.983,91 10.137,92 0.407,93 0.92,94 19.258,95 7.019,96 53.123,97 7.416,98 0.169,99 0.789,100 13.664,101 6.012,102 31.949,103 7.126,104 18,105 43,106 0.293,107 0.642,108 0.784,109 0.882,110 0.891,111 0.891,112 3.341,113 0.96,114 -4.77,115 -4.68,116 -4.4,119 50,121 1,124 1,125 1,142 8,143 3,144 3,152 2,158 2,172 9,174 1,175 5,183 12,187 12,195 10,199 8,207 8,211 1,212 8,220 8,224 3,232 8,236 2,237 7,245 7,250 3,258 8,263 1,271 7,275 1004,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.176,282 18.939,283 10.609,284 18.854,285 14.706,286 14.706,287 14.706,288 14.706,289 14.706,290 11.156,291 19.271,292 4.925,293 15.56,294 3.687,295 1.658,296 0.827,297 0.256,298 0.208,299 0.208,300 4.036,301 1,304 1,305 1,306 623,307 3.317,310 44.626,311 141.85,312 62.611,315 91.63,316 104.731,318 1.643,319 27.116,322 1,323 1,324 1,325 0.4,326 0.5,327 1,328 1,329 0.84,330 57.333,331 287,332 4.569,333 4.059,334 6.76,335 4.173,336 3.225,337 4.274,338 2.035,339 11.08,340 3.054,341 4.341,342 3.737,343 6.612,344 3.995,345 3.046,346 3.893,347 1.2,348 10.363,349 2.881,350 4.13,351 3.283,352 6.037,353 3.664,354 2.711,355 3.743,356 0.86,357 8.637,358 2.574,359 3.85,360 3.12,361 5.735,362 3.401,363 2.428,364 3.18,365 0.293,366 7.61,367 2.336,368 3.601,369 2.765,370 5.219,371 3.107,372 2.132,373 2.832,375 6.392,376 2.077,377 3.062,378 2.297,379 4.893,380 2.732,381 1.815,382 2.223,384 5.033,385 1.644,386 3.021,387 2.189,388 4.691,389 2.664,390 1.742,391 2.147,393 4.89,394 1.597,395 2.95,396 2.132,397 4.069,398 2.351,399 1.414,400 2.009,402 3.221,403 1.253,404 2.859,405 1.741,406 3.88,407 2.163,408 1.193,409 1.672,411 2.94,412 1.139,413 2.649,414 1.576,415 3.605,416 2.001,417 1.031,418 1.481,420 2.682,421 0.991,422 2.421,423 1.183,424 3.401,425 1.761,426 0.868,427 1.089,428 2.147,429 0.759,430 2.131,431 1.032,432 3.201,433 1.466,434 0.499,435 0.901,436 1.089,437 0.464,438 1.922,439 1.011,440 2.899,441 1.39,442 0.428,443 0.614,445 0.727,446 0.41,447 1.202,448 0.336,449 2.726,450 0.869,451 -0.068,452 -0.08,454 -0.171,455 -0.062,456 1,457 0.209,458 2.505,459 0.551,460 -0.286,461 -0.343,463 -0.611,464 -0.19,465 13.514,466 0.501,467 0.678,468 0.025,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 21.89,476 0.811,477 26.686,478 0.635,479 27.398,480 1.015,481 7.344,482 0.272,483 5.735,484 0.212,485 0.144,487 0.363,493 0.654,494 1.018,495 0.584,496 0.801,497 0.486,498 0.772,499 0.872,500 0.828,501 0.695,502 0.724,503 0.532,504 0.735,505 1.007,506 1.063,507 0.888,508 1.03,509 0.727,510 0.92,511 1.313,512 1.114,513 1.263,514 1.212,515 1.318,516 1.11,517 1.038,518 1.095,519 1.578,520 1.455,521 0.977,522 1.24,523 0.948,524 1.035,525 0.75,526 0.932,527 1.209,528 0.975,529 1.104,530 0.953,531 1.033,532 0.93,533 1.565,534 0.918,535 0.886,536 1.023,537 0.794,538 0.918,539 1.08,540 1.05,541 5,542 0.099,543 3.556,544 2.507,545 1.831,546 1.032,547 0.539,548 0.506,549 0.285,550 0.171,551 8512,552 27425,553 2.097,554 35.7,556 13,561 2,564 1.702,565 1.952,566 3.363,567 -0.769,573 71.635,574 1.706,575 3.734,576 4.565,577 5.136,578 5.184,579 5.184,580 2.876,581 4.459,582 4.726,583 3.493,584 1226,585 8.211,586 15206.8,591 226.477,592 1.447,593 4.681,594 0.167,595 0.005,596 0.083,597 0.051,598 0.042,599 0.028,600 0.017,601 0.017,602 0.011,603 0.008,604 0.428,605 0.33,606 1,607 0.76,608 132.338,609 -0.018,610 -0.074,611 0.035,612 0.004,613 0.005,614 0.013,615 -0.018,616 0.16,617 0.079,618 0.177,619 0.007,620 0.127,621 -0.002,622 -0.096,623 0.046,624 -0.059,625 0.025,626 -0.009,627 -0.185,628 -0.107,629 -0.161,630 -0.138,631 -0.16,632 -0.173,633 -0.015,634 -0.113,635 -0.32,636 -0.293,637 0.027,638 -0.225,639 -0.026,640 -0.057,641 0.179,642 0.096,643 -0.071,644 0.06,645 0.056,646 0.093,647 -0.048,648 0.062,649 -0.105,650 0.044,651 -0.078,652 -0.063,653 -0.041,654 -0.056,655 -0.112,656 -0.075,657 1.766,658 6.017,659 0.741,660 22.785,661 1.011,662 1.1,663 3.537,664 12.51,665 0.756,666 3.434,667 3.784,668 4.111,669 4.382,670 4.615,671 4.771,672 4.898,673 5.037,674 5.198,675 5.257,676 6.091,677 0.718,678 394.9,679 3.434,680 4.99,681 5.866,682 6.76,683 7.653,684 8.554,685 9.452,686 10.356,687 11.258,688 12.164,689 4.8,696 1,698 1,704 8,708 1,709 8,711 17,713 1,719 1,729 1,730 1,731 42,733 19,734 2,735 30,737 45,738 21,739 16,740 5,741 7,742 1,746 4,747 7,748 1,755 1,758 1,760 1,761 17,762 3,766 1,771 1,775 1,781 15,782 4,784 6,785 2,790 2,794 0.5,795 2,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,845 1,848 27,854 2,856 1,859 1,861 1,865 1,866 1,868 1,869 1,870 4.8,873 1,875 1,877 13.833,878 8.21,879 5.944,880 2.497,881 3.325,882 1.428,883 1.012,884 4.904,885 11.102,886 3.75,887 4.347,888 4.983,889 5.548,890 6.052,891 6.383,892 6.768,893 7.111,894 7.514,895 7.848,896 1,897 49,898 9.964,900 4.311,901 7.831,902 18.86,904 15.694,905 2.331,906 62.944,909 1,910 176.567,911 167.692,912 34.184,913 39.149,914 36.145,916 31.278,917 136.414,918 251.86,919 34.184,920 8.396,921 10.251,922 75.81,923 46.451,924 63.117,925 2.717,926 207.844,927 39.149,928 176.567,929 170.598,930 36.145,931 70.426,933 153.024,934 59.687,937 41.311,938 129.287,939 39.149,940 31.278,941 176.567,942 70.328,943 206.84,946 176.567,947 66.884,948 87.331,949 16.602,950 106.353,951 176.567,952 70.328,953 206.84,955 0.586,956 0.362,957 0.195,958 0.104,959 22,960 10,961 0.044,962 2,963 2,964 1.2,965 3.78,966 241.926,967 0.2,968 20,969 128.382,970 1,974 18.033,975 7.342,976 3.335,978 70.328,979 14.637,983 1.445,984 6.133,987 453.735,988 41.5,993 13.017,997 -0.1,999 42.444,1000 46.186,1001 0.316,1002 0.692,1003 0.847,1004 0.953,1005 0.961,1006 0.961,1007 5.006,1008 1.414,1009 5.866,1010 4.89,1011 4.466,1012 5.034,1013 2.613,1014 6.72,1015 4.355,1016 6.233,1017 1.193,1018 7.456,1019 3.221,1020 4.111,1021 4.844,1022 0.325,1023 7.698,1024 3.929,1025 7.554,1026 1.031,1027 9.147,1028 2.94,1029 6.103,1030 7.244,1031 3.687,1032 10.83,1033 5.898,1034 8.91,1035 0.868,1036 10.896,1037 2.682,1038 6.581,1039 7.895,1040 0.653,1041 12.621,1042 6.296,1043 10.298,1044 0.499,1045 12.682,1046 2.147,1047 8.037,1048 9.739,1049 5,1050 15.271,1051 7.73,1052 11.708,1053 0.428,1054 14.493,1055 1.089,1056 8.883,1057 10.773,1058 1.001,1059 17.391,1060 8.496,1061 13.135,1062 -0.068,1063 16.322,1064 0.727,1065 10.14,1066 12.388,1067 6.389,1068 19.875,1069 9.722,1070 3.225,1071 -0.286,1072 18.164,1073 -0.171,1074 11.151,1075 13.61,1076 1.37,1077 22.138,1078 10.659,1079 3.046,1080 11.08,1081 20.015,1082 -0.611,1083 12.333,1084 15.121,1085 7.801,1086 24.559,1087 11.8,1088 2.711,1089 10.363,1090 21.875,1091 4.274,1092 13.418,1093 16.439,1094 1.754,1095 26.887,1096 12.818,1097 2.428,1098 8.637,1099 23.742,1100 3.893,1101 14.574,1102 17.904,1103 9.219,1104 29.285,1105 13.926,1106 2.132,1107 7.61,1108 25.613,1109 3.743,1110 15.693,1111 19.273,1112 2.143,1113 31.643,1114 14.983,1115 1.815,1116 6.392,1117 27.489,1118 3.18,1119 16.841,1120 20.717,1121 10.638,1122 34.033,1123 16.081,1124 1.742,1125 5.033,1126 29.368,1127 2.832,1128 17.977,1129 22.115,1130 2.535,1131 36.406,1132 17.157,1133 8130,1134 14711,1135 19.997,1136 31.756,1137 47.047,1138 49.582,1139 47.473,1140 45.296,1141 45.065,1142 60.114,1143 8.775,1144 133.619,1145 42.355,1146 5.442,1147 6.059,1148 6.445,1149 5.324,1150 5.225,1151 7.274,1152 4.069,1153 18.488,1154 5.054,1155 13.155,1156 1.568,1157 1.653,1158 1.582,1159 1.51,1160 1.502,1161 2.004,1162 0.293,1163 4.454,1164 1.412,1165 4.059,1166 4.066,1167 4.292,1168 4.056,1169 7.428,1170 4.015,1171 3.911,1172 3.937,1173 4.004,1174 3.845,1175 6.82,1176 3.841,1177 3.76,1178 3.774,1179 3.82,1180 3.736,1181 4.937,1182 3.711,1183 3.465,1184 3.515,1185 3.399,1186 3.276,1187 4.852,1188 3.285,1189 3.283,1190 3.341,1191 3.307,1192 3.109,1193 4.455,1194 3.092,1195 3.143,1196 3.19,1197 3.249,1198 2.996,1199 4.345,1200 3.017,1201 2.899,1202 2.938,1203 3.107,1204 2.8,1205 4.288,1206 2.771,1207 2.879,1208 2.922,1209 2.786,1210 2.725,1211 4.026,1212 2.722,1213 0.152,1214 0.135,1215 0.225,1216 0.139,1217 0.108,1218 4.569,1219 0.142,1220 4.059,1221 0.068,1222 6.76,1223 0.369,1224 4.173,1225 0.102,1226 3.225,1227 4.274,1228 2.035,1229 11.08,1230 3.054,1231 1.913,1232 1.901,1233 1.981,1234 1.99,1235 1.162,1236 1.994,1237 1.891,1238 1.867,1239 1.976,1240 1.977,1241 1.092,1242 1.979,1243 1.663,1244 1.632,1245 1.84,1246 1.797,1247 1.074,1248 1.812,1249 1.487,1250 1.481,1251 1.65,1252 1.662,1253 0.739,1254 1.667,1255 1.237,1256 1.209,1257 1.418,1258 1.398,1259 0.574,1260 1.412,1261 1.184,1262 1.116,1263 1.243,1264 1.342,1265 0.495,1266 1.359,1267 0.909,1268 0.862,1269 1.136,1270 1.105,1271 0.188,1272 1.114,1273 0.869,1274 0.824,1275 1.12,1276 1.025,1277 0.18,1278 1.069,1279 4.111,1281 5.451,1282 2.398,1283 6.986,1284 4.844,1285 8.606,1286 7.034,1287 10.272,1289 1.727,1290 6.235,1295 1.227,1297 5.807,1300 1.573,1303 9.109,1304 2.133,1305 30.175,1306 71.635,1307 156.826,1308 191.722,1309 215.722,1310 217.722,1311 217.722,1312 46.511,1313 7.777,1314 53.33,1315 81.57,1316 24,1317 12.683,1318 4.322,1319 3.644,1320 40.171,1321 100,1322 104,1323 0.203,1324 191.48,1325 333.98,1326 458.97,1327 25608,1328 2.4,1329 18.966,1330 0.702,1331 0.596,1332 19.819,1333 16.103,1334 13.08,1335 0.436,1336 0.32,1337 8.425,1338 12.013,1339 8.094,1340 6.668,1341 13.777,1342 9.603,1343 11.741,1344 0.273,1345 0.178,1346 12.728,1347 7.661,1348 10.639,1349 0.177,1350 0.101,1351 11.872,1352 6.041,1353 8.726,1354 0.11,1355 0.058,1356 10.054,1357 4.595,1358 6.986,1359 0.07,1360 0.031,1361 8.063,1362 3.086,1363 0.314,1364 88.197,1365 0.224,1366 25.595,1367 0.571,1368 146,1369 439.825,1370 196.008,1371 480.613,1372 646.72,1373 448,1374 176,1375 434.274,1376 223.566,1377 468.822,1378 690.38,1379 441,1380 7.959}
{0 CHEMBL1949922,1 1.691,2 12.033,3 4.863,4 23.653,5 120.86,6 8.647,7 0.515,8 4.033,9 4.127,10 3.767,11 3.672,12 5.156,13 3.627,14 4.56,15 4.705,16 4.181,17 4.076,18 5.672,19 4.008,20 4.808,21 4.964,22 4.38,23 4.237,24 5.957,25 4.167,26 4.862,27 5.004,28 4.363,29 4.271,30 6.067,31 4.172,32 4.842,33 4.998,34 4.18,35 4.215,36 6.038,37 4.086,38 4.766,39 4.966,40 4.12,41 4.088,42 5.827,43 3.96,44 4.688,45 4.875,46 4.041,47 3.963,48 5.854,49 3.874,50 4.596,51 4.786,52 3.823,53 3.92,54 5.625,55 3.81,56 0.043,57 0.679,58 8.521,59 4.739,60 7.221,61 5.563,62 0.273,63 1.14,64 18.739,65 8.349,66 22.932,67 9.791,68 0.35,69 1.41,70 29.309,71 11.219,72 36.171,73 12.762,74 0.415,75 1.471,76 33.086,77 12.494,78 58.233,79 13.042,80 0.601,81 1.421,82 38.444,83 13.243,84 73.327,85 14.274,86 0.301,87 1.332,88 31.152,89 11.604,90 45.345,91 13.662,92 0.551,93 1.23,94 29.101,95 9.968,96 61.083,97 11.242,98 0.3,99 1.116,100 23.217,101 9.24,102 39.195,103 10.879,104 29,105 47,106 0.281,107 0.621,108 0.795,109 0.88,110 0.893,111 0.893,112 3.441,113 0.99,114 -4.81,115 -4.72,116 -4.43,119 45.1,120 1,121 1,124 1,125 2,142 8,143 3,144 3,152 2,158 2,172 9,174 1,175 5,178 1,180 2,183 12,187 12,192 2,195 10,199 9,204 1,207 9,211 1,212 8,215 1,217 1,220 10,224 3,232 9,236 2,237 8,242 3,245 8,250 3,255 1,258 8,263 1,271 10,275 1420,276 20.284,277 20.284,278 20.284,279 20.284,280 20.284,281 18.09,282 21.553,283 11.856,284 20.834,285 16.205,286 16.205,287 16.205,288 16.205,289 16.205,290 12.655,291 21.613,292 5.501,293 17.093,294 3.981,295 1.942,296 0.892,297 0.383,298 0.304,299 0.304,300 4.135,301 1,304 1,305 1,306 773,307 3.873,310 53.629,311 161.509,312 73.342,315 107.793,316 120.944,318 2.038,319 32.298,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.333,331 361,332 4.572,333 3.737,334 6.762,335 4.178,336 3.229,337 4.278,338 1.2,339 11.088,340 3.067,341 4.348,342 3.565,343 6.613,344 4.005,345 3.053,346 3.902,347 1.058,348 10.368,349 2.901,350 4.175,351 3.269,352 6.104,353 3.784,354 2.806,355 3.777,356 0.86,357 8.893,358 2.735,359 3.914,360 3.117,361 5.959,362 3.531,363 2.566,364 3.29,365 0.293,366 8.264,367 2.442,368 3.634,369 2.739,370 5.649,371 3.254,372 2.285,373 2.94,375 7.274,376 2.203,377 3.06,378 2.198,379 4.903,380 2.734,381 1.815,382 2.23,384 5.072,385 1.651,386 3.02,387 2.178,388 4.726,389 2.674,390 1.751,391 2.147,393 4.937,394 1.607,395 2.895,396 1.887,397 4.186,398 2.511,399 1.544,400 2.01,402 3.803,403 1.484,404 2.859,405 1.741,406 4.069,407 2.351,408 1.414,409 1.972,411 3.219,412 1.253,413 2.649,414 1.576,415 3.876,416 2.161,417 1.19,418 1.662,420 2.932,421 1.137,422 2.415,423 1.51,424 3.605,425 1.998,426 1.027,427 1.376,428 2.635,429 0.989,430 2.133,431 1.183,432 3.4,433 1.851,434 0.894,435 1.063,436 2.135,437 0.842,438 2.065,439 1.029,440 3.2,441 1.676,442 0.745,443 0.937,445 1.35,446 0.676,447 1.922,448 0.964,449 2.973,450 1.461,451 0.459,452 0.618,454 1.065,455 0.444,456 1.185,457 0.336,458 2.738,459 0.877,460 -0.063,461 -0.075,463 -0.162,464 -0.059,465 14.848,466 0.495,467 0.768,468 0.026,469 39,470 1.3,471 20,472 0.667,473 19,474 0.633,475 27.263,476 0.909,477 31.352,478 0.615,479 30.071,480 1.002,481 7.554,482 0.252,483 6.936,484 0.231,485 0.16,487 0.364,493 0.676,494 1.138,495 0.627,496 0.873,497 0.547,498 0.848,499 0.798,500 0.894,501 0.697,502 0.754,503 0.572,504 0.769,505 1.015,506 1.012,507 0.845,508 0.952,509 0.848,510 0.845,511 1.376,512 1.103,513 1.217,514 1.153,515 1.501,516 1.056,517 1.065,518 1.087,519 1.48,520 1.356,521 1.182,522 1.196,523 0.889,524 1.085,525 0.745,526 0.97,527 1.049,528 1.004,529 1.193,530 0.969,531 0.966,532 0.949,533 1.355,534 0.905,535 1.077,536 1.012,537 0.91,538 0.965,539 0.987,540 1.037,541 5.5,542 0.152,543 4.222,544 2.757,545 1.951,546 1.177,547 0.666,548 0.596,549 0.347,550 0.241,551 11411,552 34187,553 2.067,554 41.2,556 15,559 1,561 5,564 1.729,565 1.915,566 3.528,567 -0.349,573 86.258,574 1.691,575 3.731,576 4.78,577 5.29,578 5.368,579 5.368,580 3.07,581 4.574,582 4.874,583 3.68,584 1600.76,585 8.507,586 21735.3,588 1,591 289.294,592 1.475,593 4.828,594 0.167,595 0.007,596 0.09,597 0.051,598 0.039,599 0.027,600 0.018,601 0.016,602 0.011,603 0.009,604 0.434,605 0.17,606 1,607 1.085,608 153.453,609 -0.032,610 -0.071,611 0.038,612 0.013,613 -0.048,614 0.022,615 0.038,616 0.174,617 0.108,618 0.181,619 0.042,620 0.141,621 -0.017,622 0.011,623 0.106,624 0.04,625 0.021,626 0.097,627 -0.198,628 -0.075,629 -0.126,630 -0.08,631 -0.166,632 -0.118,633 0.014,634 -0.087,635 -0.283,636 -0.224,637 -0.024,638 -0.21,639 -0.02,640 -0.112,641 0.132,642 0.016,643 -0.051,644 -0.011,645 0.011,646 0.044,647 0.011,648 0.042,649 -0.058,650 0.048,651 -0.142,652 -0.036,653 -0.086,654 -0.032,655 -0.088,656 -0.072,657 1.795,658 6.122,659 0.667,660 31.6,661 1.008,662 1.111,663 3.581,664 12.826,665 0.716,666 3.526,667 3.871,668 4.19,669 4.454,670 4.682,671 4.852,672 5.011,673 5.165,674 5.338,675 5.425,676 6.833,677 0.676,678 440.98,679 3.526,680 5.081,681 5.953,682 6.845,683 7.735,684 8.634,685 9.532,686 10.435,687 11.337,688 12.242,689 3.9,696 2,704 8,708 1,709 8,711 17,718 1,719 1,729 1,730 1,731 51,733 19,734 2,735 33,737 54,738 23,739 16,740 5,741 7,742 2,746 4,747 7,748 1,752 1,755 1,758 1,761 18,762 5,766 2,771 2,775 2,781 21,782 5,783 1,784 7,785 2,790 2,794 0.5,795 3,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 2,845 1,848 30,854 3,855 1,856 1,859 1,865 1,869 1,870 5.9,873 2,875 1,877 15.667,878 9.926,879 6.639,880 3.176,881 3.226,882 1.402,883 0.998,884 6.23,885 11.243,886 3.795,887 4.398,888 5.01,889 5.571,890 6.07,891 6.406,892 6.8,893 7.16,894 7.562,895 7.898,896 1,897 54,898 11.132,900 4.79,901 7.804,902 21.128,904 17.422,905 2.304,906 69.111,909 1,910 235.422,911 166.725,912 21.135,913 39.149,914 61.29,916 31.278,917 135.448,918 335.86,919 21.135,920 17.222,921 30.368,922 75.81,923 59.699,924 32.057,925 2.717,926 266.7,927 39.149,928 235.422,929 156.583,930 61.29,931 70.426,933 176.567,934 120.145,937 39.193,938 117.39,939 39.149,940 31.278,941 235.422,942 82.425,943 205.874,946 235.422,947 73.694,948 96.156,949 18.011,950 100.438,951 235.422,952 82.425,953 205.874,955 0.583,956 0.357,957 0.192,958 0.101,959 23,960 11,961 0.074,962 4,963 2,964 1.2,965 4.02,966 276.117,967 0.2,968 20,969 147.207,970 1,974 21.041,975 8.883,976 4.183,978 82.425,979 14.678,983 1.438,984 6.04,986 18.011,987 523.721,988 43.5,993 25.29,997 -0.237,999 51.422,1000 56.641,1001 0.298,1002 0.658,1003 0.843,1004 0.933,1005 0.946,1006 0.946,1007 5.045,1008 1.544,1009 5.953,1010 4.937,1011 4.554,1012 5.085,1013 2.028,1014 6.806,1015 4.453,1016 6.26,1017 1.414,1018 7.544,1019 3.803,1020 4.205,1021 4.934,1022 0.325,1023 7.784,1024 4.049,1025 7.58,1026 1.19,1027 9.236,1028 3.219,1029 6.188,1030 7.281,1031 2.096,1032 10.915,1033 6.003,1034 8.937,1035 1.027,1036 10.988,1037 2.932,1038 6.673,1039 7.96,1040 0.653,1041 12.702,1042 6.429,1043 10.328,1044 0.894,1045 12.775,1046 2.635,1047 8.125,1048 9.775,1049 2.231,1050 15.347,1051 7.853,1052 11.741,1053 0.745,1054 14.587,1055 2.135,1056 8.974,1057 10.826,1058 1.001,1059 17.46,1060 8.639,1061 13.171,1062 0.459,1063 16.415,1064 1.35,1065 10.226,1066 12.425,1067 2.405,1068 19.936,1069 9.859,1070 3.229,1071 -0.063,1072 18.256,1073 1.065,1074 11.237,1075 13.656,1076 1.37,1077 22.192,1078 10.808,1079 3.053,1080 11.088,1081 20.106,1082 -0.162,1083 12.415,1084 15.159,1085 2.609,1086 24.606,1087 11.947,1088 2.806,1089 10.368,1090 21.964,1091 4.278,1092 13.497,1093 16.481,1094 1.754,1095 26.928,1096 12.97,1097 2.566,1098 8.893,1099 23.827,1100 3.902,1101 14.649,1102 17.941,1103 2.839,1104 29.321,1105 14.077,1106 2.285,1107 8.264,1108 25.695,1109 3.777,1110 15.765,1111 19.311,1112 2.143,1113 31.675,1114 15.137,1115 1.815,1116 7.274,1117 27.567,1118 3.29,1119 16.91,1120 20.753,1121 3.09,1122 34.062,1123 16.234,1124 1.751,1125 5.072,1126 29.442,1127 2.94,1128 18.043,1129 22.151,1130 2.535,1131 36.432,1132 17.311,1133 11012,1134 19205,1135 21.789,1136 36.495,1137 50.414,1138 52.278,1139 52.297,1140 49.779,1141 49.554,1142 64.403,1143 6.822,1144 146.071,1145 46.864,1146 5.45,1147 5.737,1148 6.532,1149 5.329,1150 5.229,1151 7.278,1152 2.293,1153 18.496,1154 5.067,1155 16.065,1156 1.528,1157 1.584,1158 1.585,1159 1.508,1160 1.502,1161 1.952,1162 0.207,1163 4.426,1164 1.42,1165 4.064,1166 4.072,1167 4.292,1168 4.057,1169 7.431,1170 4.017,1171 3.913,1172 3.938,1173 4.004,1174 3.845,1175 7.426,1176 3.841,1177 3.784,1178 3.802,1179 3.841,1180 3.743,1181 4.937,1182 3.72,1183 3.557,1184 3.625,1185 3.463,1186 3.351,1187 4.857,1188 3.356,1189 3.45,1190 3.507,1191 3.347,1192 3.266,1193 4.459,1194 3.266,1195 3.283,1196 3.341,1197 3.292,1198 3.104,1199 4.346,1200 3.089,1201 3.138,1202 3.176,1203 3.249,1204 2.948,1205 4.307,1206 2.961,1207 2.9,1208 2.941,1209 3.012,1210 2.8,1211 4.185,1212 2.771,1213 0.139,1214 0.113,1215 0.205,1216 0.127,1217 0.098,1218 4.572,1219 0.13,1220 3.737,1221 0.036,1222 6.762,1223 0.336,1224 4.178,1225 0.093,1226 3.229,1227 4.278,1228 1.2,1229 11.088,1230 3.067,1231 1.918,1232 1.907,1233 1.987,1234 2.002,1235 1.169,1236 1.999,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.103,1242 1.993,1243 1.665,1244 1.633,1245 1.844,1246 1.797,1247 1.081,1248 1.813,1249 1.545,1250 1.5,1251 1.827,1252 1.779,1253 0.982,1254 1.797,1255 1.479,1256 1.44,1257 1.65,1258 1.662,1259 0.74,1260 1.667,1261 1.214,1262 1.184,1263 1.419,1264 1.407,1265 0.574,1266 1.413,1267 1.182,1268 1.115,1269 1.292,1270 1.357,1271 0.526,1272 1.383,1273 0.922,1274 0.878,1275 1.145,1276 1.151,1277 0.229,1278 1.169,1279 4.205,1281 5.541,1282 2.398,1283 7.071,1284 4.844,1285 8.687,1286 7.034,1287 10.351,1289 3.609,1290 6.263,1295 1.75,1296 2.802,1297 5.905,1300 1.573,1305 34.47,1306 86.258,1307 190.274,1308 243.784,1309 269.784,1310 273.784,1311 273.784,1312 58.632,1313 8.017,1314 58.64,1315 86.88,1316 24,1317 12.761,1318 4.322,1319 3.524,1320 47.061,1321 123,1322 140,1323 0.191,1324 217.588,1325 380.01,1326 522.674,1327 34471,1328 2,1329 21.25,1330 0.708,1331 0.609,1332 22.104,1333 18.271,1334 14.49,1335 0.439,1336 0.33,1337 9.69,1338 13.322,1339 9.313,1340 7.707,1341 15.187,1342 10.894,1343 12.993,1344 0.276,1345 0.179,1346 13.98,1347 8.409,1348 11.542,1349 0.178,1350 0.1,1351 12.775,1352 6.511,1353 9.502,1354 0.112,1355 0.058,1356 10.83,1357 4.929,1358 7.441,1359 0.07,1360 0.031,1361 8.518,1362 3.293,1363 0.298,1364 97.339,1365 0.214,1366 28.17,1367 0.528,1368 160,1369 482.248,1370 213.249,1371 513.798,1372 692.52,1373 480,1374 192,1375 468.192,1376 242.392,1377 499.419,1378 740.32,1379 471,1380 8.398}
{0 CHEMBL1949923,1 1.648,2 11.286,3 4.844,4 23.466,5 115.883,6 8.428,7 0.548,8 3.991,9 4.091,10 3.711,11 3.634,12 5.072,13 3.58,14 4.522,15 4.677,16 4.117,17 4.045,18 5.557,19 3.967,20 4.754,21 4.908,22 4.316,23 4.216,24 5.824,25 4.127,26 4.847,27 5.018,28 4.294,29 4.253,30 5.92,31 4.127,32 4.802,33 4.974,34 4.097,35 4.179,36 5.887,37 4.031,38 4.725,39 4.938,40 4.039,41 4.03,42 5.729,43 3.885,44 4.607,45 4.805,46 3.881,47 3.906,48 5.674,49 3.784,50 4.521,51 4.729,52 3.708,53 3.87,54 5.439,55 3.729,56 0.016,57 0.657,58 8.853,59 4.59,60 5.707,61 5.599,62 0.208,63 1.113,64 19.168,65 8.037,66 16.77,67 9.636,68 0.226,69 1.34,70 28.109,71 10.977,72 24.412,73 12.973,74 0.283,75 1.475,76 34.797,77 12.819,78 38.152,79 14.463,80 0.406,81 1.386,82 38.301,83 13.085,84 48.993,85 14.628,86 0.236,87 1.282,88 31.453,89 11.327,90 37.889,91 13.556,92 0.456,93 1.162,94 28.854,95 9.651,96 46.441,97 11.129,98 0.146,99 1.063,100 22.036,101 8.891,102 21.131,103 11.216,104 19,105 44,106 0.277,107 0.612,108 0.782,109 0.885,110 0.892,111 0.892,112 3.375,113 1,114 -5.06,115 -4.95,116 -4.64,119 44.9,121 1,124 2,125 2,142 8,143 3,144 3,152 2,158 1,172 9,174 1,175 4,180 1,183 12,187 10,192 2,195 10,199 7,204 1,207 8,212 7,215 1,217 1,220 8,224 3,232 8,236 2,237 4,242 3,245 7,250 2,255 1,258 8,263 1,271 7,275 1114,276 19.077,277 19.077,278 19.077,279 19.077,280 19.077,281 16.975,282 22.164,283 11.214,284 19.634,285 15.244,286 15.244,287 15.244,288 15.244,289 15.244,290 11.9,291 25.577,292 5.22,293 16.164,294 3.966,295 1.98,296 0.97,297 0.357,298 0.317,299 0.317,300 4.071,301 1,304 1,305 1,306 682,307 3.464,310 47.634,311 148.416,312 66.2,315 97.034,316 110.153,318 1.827,319 23.324,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.333,331 316,332 4.567,333 3.737,334 6.761,335 4.173,336 3.225,337 4.271,338 1.2,339 11.08,340 3.054,341 4.338,342 3.296,343 6.612,344 3.995,345 3.046,346 3.888,347 0.86,348 10.363,349 2.881,350 4.105,351 3.122,352 6.037,353 3.667,354 2.714,355 3.721,356 0.657,357 8.641,358 2.578,359 3.78,360 2.831,361 5.737,362 3.407,363 2.435,364 3.132,365 0.293,366 7.629,367 2.341,368 3.462,369 2.532,370 5.244,371 3.124,372 2.153,373 2.742,375 6.508,376 2.09,377 3.05,378 2.191,379 4.894,380 2.732,381 1.815,382 2.221,384 5.037,385 1.644,386 3.02,387 2.159,388 4.694,389 2.665,390 1.743,391 2.147,393 4.897,394 1.597,395 2.859,396 1.741,397 4.069,398 2.351,399 1.414,400 2.009,402 3.221,403 1.253,404 2.651,405 1.576,406 3.88,407 2.167,408 1.204,409 1.669,411 2.942,412 1.142,413 2.47,414 1.437,415 3.605,416 2.08,417 1.132,418 1.449,420 2.705,421 1.066,422 2.164,423 1.183,424 3.402,425 1.932,426 0.983,427 1.135,428 2.169,429 0.926,430 2.114,431 1.029,432 3.22,433 1.708,434 0.825,435 1.036,436 1.794,437 0.711,438 1.922,439 0.977,440 3.18,441 1.461,442 0.462,443 0.62,445 1.071,446 0.445,447 1.219,448 0.336,449 2.743,450 0.909,451 -0.042,452 -0.05,454 -0.1,455 -0.039,456 1.037,457 0.209,458 2.58,459 0.773,460 -0.161,461 -0.185,463 -0.344,464 -0.149,465 14.014,466 0.501,467 0.678,468 0.024,469 36.25,470 1.295,471 18.5,472 0.661,473 17.75,474 0.634,475 25.061,476 0.895,477 29.186,478 0.596,479 26.531,480 0.948,481 7.099,482 0.254,483 6.481,484 0.231,485 0.146,487 0.35,493 0.723,494 1.143,495 0.637,496 0.869,497 0.582,498 0.854,499 0.973,500 0.809,501 0.719,502 0.697,503 0.655,504 0.732,505 0.969,506 1.09,507 0.863,508 1.029,509 0.821,510 0.932,511 1.214,512 1.075,513 1.139,514 1.123,515 1.372,516 1.024,517 1.115,518 1.11,519 1.467,520 1.374,521 1.13,522 1.199,523 0.992,524 1.056,525 0.738,526 0.937,527 1.352,528 0.974,529 1.234,530 0.977,531 1.116,532 1.009,533 1.404,534 0.946,535 0.766,536 1.081,537 0.871,538 1.029,539 0.821,540 1.086,541 5,542 0.115,543 3.556,544 2.507,545 1.831,546 1.059,547 0.579,548 0.506,549 0.316,550 0.196,551 9469,552 26154,553 2.094,554 42.9,556 18,559 1,561 2,564 1.711,565 1.953,566 3.437,567 -0.358,573 80.775,574 1.648,575 3.635,576 4.645,577 5.257,578 5.298,579 5.298,580 2.955,581 4.379,582 4.775,583 3.575,584 1351.47,585 8.311,586 17312.1,588 1,591 275.121,592 1.432,593 4.736,594 0.161,595 0.006,596 0.081,597 0.05,598 0.04,599 0.027,600 0.017,601 0.016,602 0.011,603 0.008,604 0.418,605 0.17,606 1,607 0.916,608 139.46,609 -0.026,610 -0.074,611 0.043,612 0.013,613 -0.049,614 0.023,615 -0.045,616 0.271,617 0.094,618 0.232,619 -0.001,620 0.174,621 0.036,622 -0.087,623 0.081,624 -0.034,625 0.056,626 0.014,627 -0.11,628 -0.056,629 -0.049,630 -0.05,631 -0.093,632 -0.058,633 -0.027,634 -0.113,635 -0.265,636 -0.242,637 0.008,638 -0.207,639 -0.02,640 -0.087,641 0.145,642 0.048,643 -0.039,644 0.012,645 0.015,646 0.051,647 -0.085,648 0.021,649 -0.004,650 0.012,651 -0.045,652 -0.104,653 -0.057,654 -0.094,655 -0.045,656 -0.107,657 1.722,658 6.091,659 0.714,660 25.883,661 1.002,662 1.111,663 3.826,664 14.637,665 0.715,666 3.466,667 3.807,668 4.127,669 4.407,670 4.635,671 4.796,672 4.934,673 5.088,674 5.242,675 5.313,676 6.388,677 0.668,678 412.97,679 3.466,680 5.017,681 5.889,682 6.781,683 7.671,684 8.571,685 9.468,686 10.372,687 11.273,688 12.179,689 4.1,691 1,696 1,704 8,708 1,709 8,711 17,719 1,729 1,730 1,731 49,733 18,734 2,735 31,737 52,738 22,739 16,740 5,741 7,742 1,746 4,747 7,748 1,755 1,758 1,761 17,762 5,766 1,771 1,775 1,781 21,782 4,783 1,784 6,785 2,790 2,794 0.5,795 2,811 1,812 2,813 1,816 1,817 1,835 1,840 2,842 1,844 2,845 1,848 28,854 3,855 1,856 1,859 1,865 1,869 1,870 4.1,873 1,875 1,877 14.333,878 9.51,879 6.194,880 2.884,881 3.161,882 1.402,883 1.007,884 5.716,885 11.024,886 3.726,887 4.334,888 4.948,889 5.525,890 6.02,891 6.333,892 6.689,893 7.067,894 7.447,895 7.746,896 0.875,897 50,898 10.369,900 4.418,901 7.659,902 19.976,904 16.542,905 2.159,906 60.444,908 1,909 1,910 235.422,911 161.592,912 21.135,913 39.149,914 36.145,916 31.278,917 130.314,918 310.715,919 21.135,920 16.793,921 12.357,922 93.821,923 29.85,924 32.057,925 2.717,926 266.7,927 39.149,928 235.422,929 151.449,930 36.145,931 70.426,933 211.88,934 59.687,937 30.368,938 121.082,939 39.149,940 31.278,941 235.422,942 57.28,943 200.741,946 235.422,947 68.989,948 95.727,949 18.011,950 75.293,951 235.422,952 57.28,953 200.741,955 0.581,956 0.354,957 0.196,958 0.104,959 22,960 10,961 0.077,962 4,963 2,964 1.2,965 3.88,966 252.295,967 0.2,968 20,969 134.606,970 1,974 19.434,975 8.236,976 3.847,978 57.28,979 15.654,983 1.518,984 7.352,986 18.011,987 493.443,988 40.5,993 13.091,997 -0.055,999 49.094,1000 54.431,1001 0.294,1002 0.647,1003 0.827,1004 0.936,1005 0.944,1006 0.944,1007 4.972,1008 1.414,1009 5.883,1010 4.897,1011 4.489,1012 5.021,1013 1.828,1014 6.732,1015 4.376,1016 6.183,1017 1.204,1018 7.468,1019 3.221,1020 4.111,1021 4.844,1022 0.325,1023 7.698,1024 3.929,1025 7.499,1026 1.132,1027 9.155,1028 2.942,1029 6.116,1030 7.22,1031 1.792,1032 10.836,1033 5.909,1034 8.855,1035 0.983,1036 10.902,1037 2.705,1038 6.581,1039 7.878,1040 0.653,1041 12.623,1042 6.296,1043 10.243,1044 0.825,1045 12.687,1046 2.169,1047 8.045,1048 9.713,1049 1.897,1050 15.275,1051 7.738,1052 11.655,1053 0.462,1054 14.497,1055 1.794,1056 8.885,1057 10.751,1058 1.001,1059 17.394,1060 8.499,1061 13.084,1062 -0.042,1063 16.325,1064 1.071,1065 10.145,1066 12.363,1067 2.08,1068 19.877,1069 9.728,1070 3.225,1071 -0.161,1072 18.166,1073 -0.1,1074 11.154,1075 13.587,1076 1.37,1077 22.14,1078 10.662,1079 3.046,1080 11.08,1081 20.018,1082 -0.344,1083 12.337,1084 15.098,1085 2.312,1086 24.56,1087 11.804,1088 2.714,1089 10.363,1090 21.877,1091 4.271,1092 13.42,1093 16.417,1094 1.754,1095 26.888,1096 12.821,1097 2.435,1098 8.641,1099 23.743,1100 3.888,1101 14.576,1102 17.881,1103 2.577,1104 29.286,1105 13.93,1106 2.153,1107 7.629,1108 25.615,1109 3.721,1110 15.695,1111 19.251,1112 2.143,1113 31.644,1114 14.986,1115 1.815,1116 6.508,1117 27.49,1118 3.132,1119 16.843,1120 20.695,1121 2.865,1122 34.034,1123 16.084,1124 1.743,1125 5.037,1126 29.37,1127 2.742,1128 17.979,1129 22.093,1130 2.535,1131 36.407,1132 17.16,1133 9078,1134 15243,1135 20.69,1136 35.04,1137 47.038,1138 48.132,1139 48.867,1140 46.517,1141 46.304,1142 60.081,1143 6.02,1144 136.116,1145 43.458,1146 5.443,1147 5.737,1148 6.529,1149 5.324,1150 5.225,1151 7.271,1152 2.293,1153 18.489,1154 5.054,1155 13.599,1156 1.517,1157 1.553,1158 1.576,1159 1.501,1160 1.494,1161 1.938,1162 0.194,1163 4.391,1164 1.402,1165 4.063,1166 4.072,1167 4.292,1168 4.057,1169 7.428,1170 4.016,1171 3.912,1172 3.939,1173 4.004,1174 3.845,1175 4.938,1176 3.841,1177 3.774,1178 3.798,1179 3.818,1180 3.743,1181 4.869,1182 3.715,1183 3.489,1184 3.551,1185 3.406,1186 3.285,1187 4.484,1188 3.295,1189 3.394,1190 3.478,1191 3.311,1192 3.18,1193 4.365,1194 3.175,1195 3.283,1196 3.341,1197 3.249,1198 3.097,1199 4.342,1200 3.086,1201 2.956,1202 3.032,1203 3.225,1204 2.807,1205 4.201,1206 2.788,1207 2.886,1208 2.931,1209 2.801,1210 2.797,1211 4.025,1212 2.77,1213 0.147,1214 0.121,1215 0.218,1216 0.135,1217 0.104,1218 4.567,1219 0.138,1220 3.737,1221 0.039,1222 6.761,1223 0.357,1224 4.173,1225 0.099,1226 3.225,1227 4.271,1228 1.2,1229 11.08,1230 3.054,1231 1.924,1232 1.908,1233 2.013,1234 2.004,1235 1.202,1236 2.011,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.125,1242 1.993,1243 1.665,1244 1.633,1245 1.842,1246 1.797,1247 1.083,1248 1.813,1249 1.499,1250 1.488,1251 1.707,1252 1.698,1253 0.815,1254 1.71,1255 1.414,1256 1.336,1257 1.65,1258 1.662,1259 0.736,1260 1.666,1261 1.19,1262 1.123,1263 1.423,1264 1.378,1265 0.574,1266 1.411,1267 1.132,1268 1.073,1269 1.342,1270 1.289,1271 0.562,1272 1.335,1273 0.888,1274 0.824,1275 1.143,1276 1.101,1277 0.339,1278 1.136,1279 4.143,1281 5.476,1282 2.398,1283 7.004,1284 4.844,1285 8.62,1286 7.034,1287 10.284,1289 3.687,1290 6.269,1295 2.18,1296 3.163,1297 5.975,1300 1.612,1305 32.755,1306 80.775,1307 178.101,1308 227.611,1309 257.611,1310 259.611,1311 259.611,1312 45.806,1313 7.863,1314 41.57,1315 69.81,1316 24,1317 12.698,1318 4.248,1319 3.392,1320 42.42,1321 109,1322 122,1323 0.197,1324 206.927,1325 356.56,1326 496.661,1327 28559,1328 2,1329 19.673,1330 0.703,1331 0.62,1332 20.527,1333 17.362,1334 13.58,1335 0.438,1336 0.333,1337 9.138,1338 12.468,1339 8.743,1340 7.25,1341 14.277,1342 10.336,1343 12.122,1344 0.275,1345 0.186,1346 13.108,1347 8.199,1348 10.759,1349 0.176,1350 0.104,1351 11.992,1352 6.357,1353 9.026,1354 0.111,1355 0.06,1356 10.353,1357 4.884,1358 7.151,1359 0.07,1360 0.032,1361 8.228,1362 3.266,1363 0.307,1364 91.447,1365 0.22,1366 26.504,1367 0.551,1368 150,1369 418.513,1370 200.369,1371 456.454,1372 619.88,1373 428,1374 180,1375 417.711,1376 228.066,1377 452.067,1378 669.42,1379 425,1380 8.398}
{0 CHEMBL1949924,1 1.734,2 12.742,3 3.686,4 13.584,5 124.062,6 8.604,7 0.5,8 4.075,9 4.177,10 3.796,11 3.69,12 5.214,13 3.65,14 4.595,15 4.742,16 4.202,17 4.099,18 5.713,19 4.032,20 4.857,21 5.022,22 4.4,23 4.261,24 6.006,25 4.189,26 4.908,27 5.063,28 4.381,29 4.291,30 6.096,31 4.192,32 4.874,33 5.035,34 4.221,35 4.235,36 6.106,37 4.111,38 4.807,39 5.003,40 4.161,41 4.115,42 5.902,43 3.996,44 4.729,45 4.914,46 4.087,47 4.004,48 5.915,49 3.921,50 4.674,51 4.874,52 3.886,53 3.97,54 5.722,55 3.86,56 0.071,57 0.746,58 9.157,59 4.839,60 11.586,61 5.665,62 0.302,63 1.212,64 19.36,65 8.524,66 27.33,67 10.019,68 0.411,69 1.504,70 31.099,71 11.707,72 42.984,73 13.557,74 0.481,75 1.56,76 35.261,77 12.893,78 64.687,79 13.737,80 0.654,81 1.478,82 39.528,83 13.538,84 83.157,85 14.893,86 0.365,87 1.384,88 32.276,89 11.818,90 55.709,91 13.829,92 0.58,93 1.293,94 29.554,95 9.99,96 65.75,97 11.393,98 0.369,99 1.213,100 25.331,101 9.839,102 47.22,103 11.924,104 30,105 48,106 0.286,107 0.632,108 0.794,109 0.887,110 0.9,111 0.9,112 3.472,113 0.979,114 -4.04,115 -3.99,116 -3.78,119 43.4,121 1,124 1,125 3,142 8,143 3,144 3,152 2,158 2,163 1,164 1,165 1,172 9,174 1,175 5,178 1,180 1,183 12,187 12,191 1,192 2,194 1,195 10,199 8,204 1,207 8,211 1,212 8,214 1,215 2,217 2,220 8,222 1,224 3,229 2,232 8,234 2,236 2,237 7,242 4,245 7,247 1,250 3,252 1,253 1,255 2,258 8,260 1,263 1,271 7,275 1604,276 20.991,277 20.991,278 20.991,279 20.991,280 20.991,281 18.797,282 21.09,283 12.381,284 21.525,285 16.705,286 16.705,287 16.705,288 16.705,289 16.705,290 13.155,291 20.881,292 5.795,293 17.614,294 3.994,295 1.902,296 0.92,297 0.354,298 0.278,299 0.278,300 4.166,301 1,304 1,305 1,306 844,307 4,310 56.888,311 168.65,312 77.367,315 113.777,316 127.047,318 2.202,319 35.385,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66.833,331 395,332 4.572,333 3.737,334 6.762,335 4.178,336 3.229,337 4.278,338 1.2,339 11.088,340 3.067,341 4.348,342 3.566,343 6.613,344 4.005,345 3.053,346 3.902,347 1.058,348 10.368,349 2.901,350 4.175,351 3.269,352 6.105,353 3.785,354 2.807,355 3.777,356 0.86,357 8.894,358 2.736,359 3.914,360 3.117,361 5.959,362 3.531,363 2.567,364 3.29,365 0.293,366 8.265,367 2.442,368 3.634,369 2.739,370 5.649,371 3.255,372 2.286,373 2.94,375 7.275,376 2.203,377 3.06,378 2.198,379 4.903,380 2.735,381 1.815,382 2.23,384 5.073,385 1.655,386 3.02,387 2.178,388 4.726,389 2.678,390 1.753,391 2.147,393 4.938,394 1.613,395 2.911,396 1.895,397 4.208,398 2.59,399 1.636,400 2.011,402 3.911,403 1.551,404 2.859,405 1.742,406 4.069,407 2.351,408 1.414,409 1.99,411 3.22,412 1.253,413 2.649,414 1.74,415 3.877,416 2.196,417 1.218,418 1.663,420 2.935,421 1.18,422 2.456,423 1.576,424 3.605,425 2.148,426 1.159,427 1.435,428 2.673,429 1.128,430 2.345,431 1.183,432 3.402,433 1.948,434 0.982,435 1.265,436 2.219,437 0.94,438 2.13,439 1.029,440 3.277,441 1.702,442 0.814,443 1.047,445 2.054,446 0.704,447 1.922,448 0.967,449 3.197,450 1.461,451 0.46,452 0.619,454 1.071,455 0.445,456 1.295,457 0.801,458 2.752,459 1.084,460 0.134,461 0.148,463 0.208,464 0.126,465 15.248,466 0.492,467 0.768,468 0.025,469 39.75,470 1.282,471 20,472 0.645,473 19.75,474 0.637,475 28.167,476 0.909,477 32.752,478 0.618,479 31.515,480 1.017,481 7.825,482 0.252,483 7.166,484 0.231,485 0.15,487 0.354,493 0.744,494 1.11,495 0.645,496 0.847,497 0.633,498 0.828,499 0.826,500 0.904,501 0.723,502 0.774,503 0.616,504 0.799,505 0.975,506 0.969,507 0.841,508 0.953,509 0.827,510 0.857,511 1.358,512 1.045,513 1.198,514 1.118,515 1.445,516 1.027,517 0.983,518 1.07,519 1.442,520 1.357,521 1.059,522 1.185,523 0.988,524 1.08,525 0.76,526 0.966,527 1.187,528 1,529 1.202,530 1.009,531 0.986,532 0.98,533 1.355,534 0.944,535 0.966,536 0.998,537 0.875,538 0.968,539 0.916,540 1.034,541 5.5,542 0.172,543 4.222,544 2.757,545 2.031,546 1.177,547 0.666,548 0.612,549 0.368,550 0.241,551 12636,552 38574,553 2.065,554 41.5,556 17,559 3,561 2,564 1.737,565 1.918,566 3.598,567 0.876,569 1,573 91.921,574 1.734,575 3.826,576 4.808,577 5.374,578 5.45,579 5.45,580 3.063,581 4.825,582 4.919,583 3.754,584 1745.81,585 8.597,586 24484.2,591 303.58,592 1.462,593 4.877,594 0.162,595 0.007,596 0.088,597 0.05,598 0.04,599 0.026,600 0.017,601 0.016,602 0.011,603 0.008,604 0.424,605 0.33,606 1,607 1.224,608 160.872,609 -0.072,610 0.006,611 0.028,612 0.054,613 -0.08,614 0.05,615 0.009,616 0.177,617 0.08,618 0.172,619 0.012,620 0.117,622 0.05,623 0.111,624 0.049,625 0.023,626 0.1,627 -0.205,628 -0.016,629 -0.107,630 -0.036,631 -0.176,632 -0.074,633 0.071,634 -0.075,635 -0.247,636 -0.212,637 0.059,638 -0.187,639 -0.054,640 -0.117,641 0.118,642 0.024,643 -0.079,644 -0.01,645 -0.02,646 0.003,647 -0.023,648 0.005,649 -0.088,650 0.001,651 -0.06,652 -0.03,653 -0.052,654 -0.031,655 -0.048,656 -0.059,657 1.857,658 6.14,659 0.645,660 35.249,661 1.01,662 1.116,663 2.809,664 7.893,665 0.708,666 3.555,667 3.892,668 4.205,669 4.466,670 4.7,671 4.868,672 5.024,673 5.182,674 5.361,675 5.46,676 7.15,677 0.67,678 456,679 3.555,680 5.106,681 5.974,682 6.862,683 7.75,684 8.646,685 9.543,686 10.444,687 11.345,688 12.25,689 5.7,690 1,696 2,704 8,708 1,709 8,711 17,718 1,719 1,729 1,730 1,731 53,733 19,734 2,735 34,737 56,738 23,739 16,740 5,741 7,742 2,746 4,747 7,748 1,752 1,755 1,758 1,761 18,762 5,766 2,771 2,775 2,778 1,781 22,782 6,783 3,784 8,785 2,790 3,794 0.5,795 3,811 1,812 2,813 1,816 1,817 1,833 1,840 2,842 1,844 1,845 1,848 31,849 1,854 4,855 1,856 1,859 1,865 1,869 1,870 5.7,873 2,875 1,877 16.167,878 9.76,879 6.889,880 3.093,881 3.221,882 1.398,883 1.002,884 6.724,885 11.307,886 3.818,887 4.41,888 5.016,889 5.575,890 6.077,891 6.411,892 6.805,893 7.167,894 7.572,895 7.914,896 0.889,897 55,898 11.496,900 4.949,901 7.842,902 21.738,904 17.92,905 2.342,906 72.611,909 1,910 223.651,911 160.006,912 54.032,913 39.149,914 61.29,916 31.278,917 128.728,918 324.089,919 54.032,920 8.396,921 65.371,922 75.81,923 59.699,924 32.057,925 2.717,926 254.929,927 39.149,928 223.651,929 182.761,930 61.29,931 70.426,933 200.109,934 84.832,937 65.371,938 117.39,939 39.149,940 31.278,941 223.651,942 115.322,943 199.155,946 223.651,947 75.8,948 87.331,949 18.011,950 133.336,951 223.651,952 115.322,953 199.155,955 0.581,956 0.352,957 0.187,958 0.101,959 23,960 11,961 0.089,962 5,963 2,964 1.2,965 4.124,966 286.276,967 0.2,968 20,969 153.58,970 1,974 21.965,975 9.489,976 4.529,978 115.322,979 14.573,983 1.425,984 5.89,986 50.908,987 538.128,988 44.5,993 25.411,997 -0.309,999 53.523,1000 59.139,1001 0.303,1002 0.668,1003 0.839,1004 0.938,1005 0.951,1006 0.951,1007 5.064,1008 1.636,1009 5.969,1010 4.938,1011 4.575,1012 5.097,1013 2.028,1014 6.815,1015 4.473,1016 6.274,1017 1.414,1018 7.554,1019 3.911,1020 4.205,1021 4.934,1022 0.325,1023 7.784,1024 4.049,1025 7.589,1026 1.218,1027 9.243,1028 3.22,1029 6.201,1030 7.285,1031 2.096,1032 10.917,1033 6.015,1034 8.944,1035 1.159,1036 10.992,1037 2.935,1038 6.673,1039 7.96,1040 0.653,1041 12.702,1042 6.429,1043 10.332,1044 0.982,1045 12.778,1046 2.673,1047 8.131,1048 9.776,1049 2.231,1050 15.348,1051 7.858,1052 11.744,1053 0.814,1054 14.589,1055 2.219,1056 8.974,1057 10.826,1058 1.001,1059 17.46,1060 8.639,1061 13.173,1062 0.46,1063 16.416,1064 2.054,1065 10.229,1066 12.425,1067 2.405,1068 19.937,1069 9.862,1070 3.229,1071 0.134,1072 18.257,1073 1.071,1074 11.237,1075 13.656,1076 1.37,1077 22.192,1078 10.808,1079 3.053,1080 11.088,1081 20.107,1082 0.208,1083 12.416,1084 15.159,1085 2.609,1086 24.607,1087 11.948,1088 2.807,1089 10.368,1090 21.964,1091 4.278,1092 13.498,1093 16.481,1094 1.754,1095 26.928,1096 12.971,1097 2.567,1098 8.894,1099 23.827,1100 3.902,1101 14.65,1102 17.941,1103 2.839,1104 29.321,1105 14.078,1106 2.286,1107 8.265,1108 25.695,1109 3.777,1110 15.766,1111 19.311,1112 2.143,1113 31.675,1114 15.137,1115 1.815,1116 7.275,1117 27.567,1118 3.29,1119 16.911,1120 20.753,1121 3.09,1122 34.062,1123 16.234,1124 1.753,1125 5.073,1126 29.442,1127 2.94,1128 18.043,1129 22.151,1130 2.535,1131 36.432,1132 17.312,1133 12218,1134 21480,1135 22.482,1136 37.5,1137 51.347,1138 53.641,1139 53.647,1140 50.882,1141 50.653,1142 65.482,1143 6.822,1144 148.387,1145 47.889,1146 5.454,1147 5.737,1148 6.626,1149 5.329,1150 5.229,1151 7.278,1152 2.293,1153 18.496,1154 5.067,1155 16.491,1156 1.51,1157 1.578,1158 1.578,1159 1.497,1160 1.49,1161 1.926,1162 0.201,1163 4.364,1164 1.409,1165 4.065,1166 4.072,1167 4.292,1168 4.057,1169 7.431,1170 4.017,1171 3.913,1172 3.938,1173 4.004,1174 3.845,1175 7.426,1176 3.841,1177 3.786,1178 3.807,1179 3.842,1180 3.744,1181 5.01,1182 3.721,1183 3.593,1184 3.667,1185 3.486,1186 3.377,1187 4.936,1188 3.386,1189 3.458,1190 3.512,1191 3.365,1192 3.27,1193 4.856,1194 3.274,1195 3.283,1196 3.341,1197 3.301,1198 3.105,1199 4.459,1200 3.09,1201 3.2,1202 3.258,1203 3.249,1204 2.971,1205 4.345,1206 2.995,1207 2.903,1208 2.949,1209 3.099,1210 2.8,1211 4.3,1212 2.772,1213 0.134,1214 0.11,1215 0.199,1216 0.123,1217 0.095,1218 4.572,1219 0.126,1220 3.737,1221 0.035,1222 6.762,1223 0.326,1224 4.178,1225 0.09,1226 3.229,1227 4.278,1228 1.2,1229 11.088,1230 3.067,1231 1.918,1232 1.907,1233 1.987,1234 2.003,1235 1.17,1236 2,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.105,1242 1.993,1243 1.665,1244 1.633,1245 1.842,1246 1.817,1247 1.081,1248 1.825,1249 1.564,1250 1.507,1251 1.816,1252 1.797,1253 1.018,1254 1.811,1255 1.482,1256 1.453,1257 1.65,1258 1.662,1259 0.74,1260 1.667,1261 1.226,1262 1.196,1263 1.42,1264 1.463,1265 0.574,1266 1.434,1267 1.184,1268 1.116,1269 1.319,1270 1.369,1271 0.527,1272 1.408,1273 0.949,1274 0.895,1275 1.159,1276 1.195,1277 0.225,1278 1.219,1279 4.234,1281 5.565,1282 2.398,1283 7.088,1284 4.844,1285 8.699,1286 7.034,1287 10.359,1289 1.72,1290 6.266,1293 5.456,1295 1.943,1296 2.764,1297 5.907,1300 1.565,1305 35.491,1306 91.921,1307 202.771,1308 254.825,1309 284.825,1310 288.825,1311 288.825,1312 63.663,1313 8.086,1314 84.66,1315 112.9,1316 24,1317 12.77,1318 4.322,1319 3.524,1320 49.481,1321 132,1322 161,1323 0.186,1324 224.382,1325 391.01,1326 539.252,1327 37856,1328 1.9,1329 21.957,1330 0.708,1331 0.599,1332 22.811,1333 18.555,1334 14.99,1335 0.441,1336 0.326,1337 9.877,1338 13.784,1339 9.543,1340 7.87,1341 15.687,1342 11.095,1343 13.347,1344 0.278,1345 0.179,1346 14.333,1347 8.594,1348 11.811,1349 0.179,1350 0.1,1351 13.044,1352 6.604,1353 9.573,1354 0.111,1355 0.058,1356 10.901,1357 4.954,1358 7.693,1359 0.071,1360 0.031,1361 8.77,1362 3.329,1363 0.291,1364 100.693,1365 0.211,1366 29.074,1367 0.509,1368 164,1369 495.561,1370 217.943,1371 527.006,1372 708.08,1373 492,1374 196,1375 476.615,1376 247.086,1377 508.011,1378 752.28,1379 479,1380 8.398}
{0 CHEMBL1949925,1 1.61,2 13.686,3 6.464,4 41.785,5 139.079,6 8.843,7 0.59,8 4.152,9 4.23,10 3.899,11 3.825,12 5.32,13 3.785,14 4.66,15 4.777,16 4.316,17 4.24,18 5.862,19 4.177,20 4.931,21 5.066,22 4.481,23 4.413,24 6.077,25 4.337,26 5.008,27 5.161,28 4.478,29 4.453,30 6.151,31 4.344,32 5.008,33 5.169,34 4.335,35 4.396,36 6.17,37 4.277,38 4.936,39 5.126,40 4.291,41 4.271,42 6.043,43 4.162,44 4.826,45 4.997,46 4.201,47 4.196,48 5.997,49 4.102,50 4.815,51 4.99,52 4.096,53 4.183,54 5.883,55 4.074,56 0.06,57 0.678,58 8.679,59 5.177,60 11.675,61 5.853,62 0.304,63 1.167,64 18.007,65 9.044,66 42.092,67 10.346,68 0.393,69 1.514,70 29.434,71 12.544,72 48.002,73 13.784,74 0.359,75 1.664,76 35.762,77 14.681,78 50.706,79 16.163,80 0.495,81 1.646,82 42.215,83 15.523,84 71.311,85 16.778,86 0.401,87 1.549,88 34.913,89 13.546,90 61.804,91 15.48,92 0.501,93 1.382,94 29.463,95 11.809,96 64.084,97 13.296,98 0.364,99 1.361,100 28.55,101 11.954,102 53.704,103 13.44,104 28,105 56,106 0.259,107 0.584,108 0.754,109 0.881,110 0.908,111 0.908,112 3.589,113 0.949,114 -6.01,115 -5.86,116 -5.45,119 49.1,121 2,124 1,125 1,142 12,143 5,144 3,152 2,158 2,167 1,170 1,172 17,173 1,174 1,175 5,178 1,180 1,183 24,184 1,187 11,192 1,195 22,196 2,199 10,204 2,207 18,208 2,212 11,217 2,220 16,221 2,224 7,229 2,232 15,233 2,236 2,237 8,242 2,245 16,246 1,250 3,251 1,255 1,258 16,259 1,262 1,263 4,266 1,268 1,271 15,275 2207,276 23.585,277 23.585,278 23.585,279 23.585,280 23.585,281 20.615,282 21.132,283 13.741,284 24.065,285 19.249,286 19.249,287 19.249,288 19.249,289 19.249,290 14.617,291 22.096,292 6.525,293 20.088,294 4.223,295 2.199,296 1.145,297 0.356,298 0.189,299 0.189,300 4.294,301 1,306 1043,307 3.873,310 66.114,311 294.205,312 88.674,315 130.737,316 142.333,318 2.398,319 36.544,322 0.5,323 0.67,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.69,330 74.833,331 479,332 4.574,333 3.737,334 6.763,335 4.18,336 3.23,337 4.284,338 2.397,339 11.091,340 3.074,341 4.359,342 3.636,343 6.614,344 4.012,345 3.058,346 3.958,347 1.2,348 10.371,349 2.922,350 4.246,351 3.295,352 6.199,353 3.866,354 2.885,355 3.847,356 0.86,357 9.288,358 2.813,359 4.022,360 3.123,361 6.002,362 3.603,363 2.642,364 3.581,365 0.293,366 8.472,367 2.531,368 3.784,369 2.907,370 5.68,371 3.441,372 2.453,373 3.14,374 0.242,375 7.453,376 2.395,377 3.614,378 2.7,379 5.391,380 3.246,381 2.273,382 2.905,384 7.003,385 2.2,386 3.351,387 2.399,388 4.904,389 2.92,390 1.918,391 2.568,393 5.098,394 1.903,395 3.055,396 2.191,397 4.735,398 2.733,399 1.815,400 2.227,402 4.956,403 1.647,404 3.02,405 2.16,406 4.496,407 2.668,408 1.745,409 2.147,411 4.676,412 1.601,413 2.868,414 1.741,415 4.186,416 2.407,417 1.414,418 2.015,420 3.76,421 1.4,422 2.858,423 1.576,424 4.069,425 2.351,426 1.412,427 2.006,428 3.219,429 1.253,430 2.653,431 1.545,432 3.877,433 2.166,434 1.193,435 1.685,436 2.932,437 1.145,438 2.608,439 1.184,440 3.605,441 2.119,442 1.123,443 1.639,445 2.666,446 1.114,447 2.394,448 1.158,449 3.477,450 1.949,451 0.982,452 1.346,454 2.486,455 0.941,456 2.13,457 1.028,458 3.4,459 1.703,460 0.815,461 1.051,463 2.122,464 0.705,465 17.281,466 0.494,467 0.942,468 0.027,469 47.75,470 1.364,471 26,472 0.743,473 21.75,474 0.621,475 31.386,476 0.897,477 35.519,478 0.623,479 38.595,480 1.103,481 9.383,482 0.268,483 7.519,484 0.215,485 0.128,487 0.37,493 0.699,494 0.992,495 0.622,496 0.812,497 0.638,498 0.792,499 0.673,500 0.892,501 0.707,502 0.789,503 0.477,504 0.809,505 0.98,506 1.037,507 0.927,508 0.998,509 0.882,510 0.959,511 0.931,512 1.109,513 1.126,514 1.152,515 0.878,516 1.072,517 1.007,518 1.113,519 1.392,520 1.312,521 0.969,522 1.164,523 0.976,524 1.017,525 0.762,526 0.92,527 1.023,528 0.962,529 0.989,530 0.932,531 0.956,532 0.931,533 1.021,534 0.937,535 1.035,536 1,537 0.975,538 1.012,539 0.945,540 1.033,541 7,542 0.21,543 4.222,544 3.007,545 2.213,546 1.337,547 0.847,548 0.64,549 0.429,550 0.308,551 18695,552 57876,553 2.106,554 38.6,556 17,559 1,560 2,561 2,564 1.766,565 1.963,566 3.723,567 -0.401,573 91.761,574 1.61,575 3.634,576 4.688,577 5.477,578 5.644,579 5.644,580 3.214,581 4.901,582 5.096,583 3.906,584 2324.03,585 8.944,586 36009.6,591 332.475,592 1.438,593 5.057,594 0.179,595 0.006,596 0.075,597 0.048,598 0.038,599 0.025,600 0.018,601 0.014,602 0.01,603 0.008,604 0.422,605 0.17,606 0.63,607 0.841,608 189.543,609 -0.044,610 -0.012,611 0.029,612 0.047,613 -0.071,614 0.041,615 0.092,616 0.125,617 0.071,618 0.126,619 0.122,620 0.075,621 -0.064,622 -0.041,623 -0.006,624 -0.026,625 -0.073,626 -0.034,627 -0.07,628 -0.101,629 -0.069,630 -0.1,631 -0.037,632 -0.1,633 -0.07,634 -0.12,635 -0.235,636 -0.213,637 -0.036,638 -0.164,639 -0.052,640 -0.023,641 0.125,642 0.063,643 -0.05,644 0.036,645 0.016,646 0.077,647 -0.008,648 0.059,649 -0.005,650 0.035,651 -0.12,652 -0.016,653 -0.08,654 -0.02,655 -0.086,656 -0.047,657 2.525,658 6.265,659 0.743,660 43.148,661 1.009,662 1.101,663 4.781,664 22.854,665 0.732,666 3.689,667 4.043,668 4.344,669 4.635,670 4.875,671 5.037,672 5.215,673 5.394,674 5.591,675 5.737,676 7.925,677 0.696,678 504.03,679 3.689,680 5.252,681 6.12,682 7.015,683 7.9,684 8.8,685 9.693,686 10.596,687 11.494,688 12.399,689 1.8,696 1,704 12,708 1,709 10,711 23,719 1,729 1,730 1,731 57,733 25,734 3,735 39,737 61,738 28,739 22,740 7,741 11,742 1,746 5,747 8,748 1,755 1,758 2,761 24,762 4,766 2,771 2,775 2,781 22,782 5,783 1,784 7,785 2,790 1,794 0.6,795 4,811 1,812 3,813 1,816 1,817 1,828 1,838 1,840 3,842 1,844 1,845 1,848 35,853 1,854 3,856 1,859 1,865 1,869 1,870 7,872 1,873 2,875 1,877 17.833,878 10.71,879 7.556,880 3.344,881 4.268,882 1.49,883 1.002,884 6.743,885 12.977,886 3.98,887 4.603,888 5.199,889 5.799,890 6.329,891 6.662,892 7.11,893 7.549,894 8,895 8.417,896 1,897 62,898 12.969,900 5.657,901 7.841,902 24.575,904 20.611,905 2.341,906 81.944,910 247.193,911 198.81,912 3.124,913 39.149,914 103.973,916 31.278,917 167.533,918 390.315,919 3.124,920 8.396,921 12.786,922 113.715,923 98.588,924 38.429,925 2.717,926 278.471,927 39.149,928 247.193,929 170.657,930 103.973,931 70.426,933 223.651,934 127.515,937 12.786,938 157.871,939 39.149,940 31.278,941 247.193,942 107.097,943 237.959,946 247.193,947 76.699,948 125.236,950 143.122,951 247.193,952 107.097,953 237.959,955 0.588,956 0.345,957 0.19,958 0.102,959 28,960 13,961 0.082,962 5,963 2,964 1.154,965 4.486,966 344.966,967 0.154,968 26,969 179.525,970 1,974 23.741,975 9.94,976 4.897,978 107.097,979 22.795,983 1.46,984 8.293,986 42.683,987 592.25,988 52.5,993 24.365,997 -0.964,999 57.531,1000 62.767,1001 0.276,1002 0.623,1003 0.804,1004 0.939,1005 0.968,1006 0.968,1007 5.23,1008 1.815,1009 6.12,1010 5.098,1011 4.727,1012 5.291,1013 2.698,1014 6.961,1015 4.644,1016 6.451,1017 1.745,1018 7.699,1019 4.956,1020 4.369,1021 5.112,1022 2.283,1023 7.904,1024 4.228,1025 7.768,1026 1.414,1027 9.378,1028 4.676,1029 6.351,1030 7.487,1031 3.846,1032 11.03,1033 6.196,1034 9.12,1035 1.412,1036 11.115,1037 3.76,1038 6.804,1039 8.112,1040 4.227,1041 12.792,1042 6.582,1043 10.502,1044 1.193,1045 12.89,1046 3.219,1047 8.264,1048 9.964,1049 5.377,1050 15.433,1051 8.029,1052 11.905,1053 1.123,1054 14.689,1055 2.932,1056 9.085,1057 10.969,1058 6.055,1059 17.532,1060 8.781,1061 13.326,1062 0.982,1063 16.508,1064 2.666,1065 10.342,1066 12.595,1067 7.048,1068 20.004,1069 10.016,1070 3.23,1071 0.815,1072 18.34,1073 2.486,1074 11.334,1075 13.794,1076 7.839,1077 22.251,1078 10.943,1079 3.058,1080 11.091,1081 20.182,1082 2.122,1083 12.512,1084 15.313,1085 8.767,1086 24.661,1087 12.09,1088 2.885,1089 10.371,1090 22.034,1091 4.284,1092 13.583,1093 16.615,1094 9.604,1095 26.977,1096 13.101,1097 2.642,1098 9.288,1099 23.891,1100 3.958,1101 14.733,1102 18.083,1103 10.503,1104 29.365,1105 14.211,1106 2.453,1107 8.472,1108 25.755,1109 3.847,1110 15.841,1111 19.44,1112 11.361,1113 31.715,1114 15.264,1115 2.273,1116 7.453,1117 27.623,1118 3.581,1119 16.984,1120 20.885,1121 12.247,1122 34.098,1123 16.362,1124 1.918,1125 7.003,1126 29.495,1127 3.14,1128 18.111,1129 22.274,1130 13.113,1131 36.465,1132 17.436,1133 17602,1134 31104,1135 26.065,1136 41.705,1137 59.842,1138 61.418,1139 61.296,1140 59.043,1141 58.835,1142 78.036,1143 9.985,1144 173.334,1145 56.175,1146 5.45,1147 5.737,1148 6.448,1149 5.331,1150 5.23,1151 7.284,1152 4.03,1153 18.499,1154 5.074,1155 18.133,1156 1.534,1157 1.575,1158 1.572,1159 1.514,1160 1.509,1161 2.001,1162 0.256,1163 4.444,1164 1.44,1165 4.085,1166 4.095,1167 4.294,1168 4.073,1169 7.474,1170 4.041,1171 3.938,1172 3.96,1173 4.004,1174 3.902,1175 7.427,1176 3.881,1177 3.89,1178 3.91,1179 3.938,1180 3.841,1181 6.351,1182 3.831,1183 3.698,1184 3.715,1185 3.698,1186 3.647,1187 4.942,1188 3.633,1189 3.472,1190 3.513,1191 3.405,1192 3.278,1193 4.892,1194 3.289,1195 3.42,1196 3.442,1197 3.35,1198 3.22,1199 4.688,1200 3.237,1201 3.283,1202 3.341,1203 3.291,1204 3.103,1205 4.448,1206 3.088,1207 2.947,1208 2.987,1209 3.249,1210 2.856,1211 4.345,1212 2.849,1213 0.117,1214 0.096,1215 0.173,1216 0.107,1217 0.083,1218 4.574,1219 0.11,1220 3.737,1221 0.061,1222 6.763,1223 0.284,1224 4.18,1225 0.079,1226 3.23,1227 4.284,1228 2.397,1229 11.091,1230 3.074,1231 2.002,1232 1.986,1233 2.087,1234 2.061,1235 1.245,1236 2.071,1237 1.891,1238 1.867,1239 1.981,1240 1.99,1241 1.144,1242 1.994,1243 1.803,1244 1.786,1245 1.897,1246 1.881,1247 1.085,1248 1.888,1249 1.659,1250 1.628,1251 1.838,1252 1.797,1253 1.045,1254 1.812,1255 1.484,1256 1.474,1257 1.65,1258 1.662,1259 0.741,1260 1.667,1261 1.355,1262 1.332,1263 1.545,1264 1.597,1265 0.694,1266 1.568,1267 1.191,1268 1.131,1269 1.413,1270 1.376,1271 0.574,1272 1.411,1273 1.13,1274 1.095,1275 1.208,1276 1.24,1277 0.481,1278 1.27,1279 4.369,1281 5.714,1282 2.398,1283 7.244,1284 4.844,1285 8.858,1286 7.034,1287 10.519,1289 1.732,1290 6.304,1294 9.112,1295 1.188,1297 6.079,1300 1.581,1305 39.69,1306 91.761,1307 207.151,1308 267.191,1309 312.21,1310 321.72,1311 321.72,1312 67.084,1313 8.709,1314 66.84,1315 95.08,1316 30,1317 12.919,1318 4.7,1319 3.858,1320 52.326,1321 167,1322 168,1323 0.154,1324 246.576,1325 433.12,1326 593.405,1327 83848,1328 1.8,1329 24.526,1330 0.701,1331 0.586,1332 25.38,1333 20.527,1334 16.902,1335 0.433,1336 0.316,1337 11.136,1338 15.73,1339 10.745,1340 8.844,1341 17.599,1342 12.336,1343 15.649,1344 0.279,1345 0.175,1346 16.636,1347 9.82,1348 13.288,1349 0.175,1350 0.099,1351 14.521,1352 7.527,1353 11.364,1354 0.111,1355 0.056,1356 12.692,1357 5.74,1358 9.126,1359 0.07,1360 0.03,1361 10.203,1362 3.887,1363 0.244,1364 111.932,1365 0.196,1366 32.24,1367 0.417,1368 190,1369 564.065,1370 243.742,1371 596.518,1372 802.42,1373 556,1374 227,1375 545.532,1376 276.558,1377 580.697,1378 855.38,1379 547,1380 7.523}
{0 CHEMBL1949926,1 1.585,2 12.909,3 5.931,4 35.174,5 136.244,6 8.483,7 0.622,8 4.127,9 4.223,10 3.848,11 3.804,12 5.238,13 3.751,14 4.64,15 4.775,16 4.259,17 4.222,18 5.707,19 4.146,20 4.901,21 5.053,22 4.449,23 4.394,24 5.982,25 4.306,26 4.983,27 5.144,28 4.423,29 4.429,30 6.075,31 4.307,32 4.978,33 5.16,34 4.264,35 4.37,36 6.046,37 4.23,38 4.897,39 5.099,40 4.219,41 4.239,42 5.929,43 4.11,44 4.79,45 4.98,46 4.123,47 4.161,48 5.875,49 4.046,50 4.771,51 4.971,52 4.006,53 4.152,54 5.723,55 4.016,56 0.02,57 0.713,58 9.644,59 5.017,60 8.906,61 6.129,62 0.162,63 1.201,64 19.601,65 8.941,66 17.714,67 10.774,68 0.216,69 1.525,70 30.624,71 12.456,72 27.055,73 14.849,74 0.253,75 1.677,76 36.618,77 14.263,78 42.757,79 16.217,80 0.325,81 1.654,82 42.877,83 15.388,84 52.763,85 17.729,86 0.249,87 1.53,88 34.851,89 13.104,90 45.292,91 15.636,92 0.391,93 1.384,94 29.853,95 11.435,96 51.47,97 13.563,98 0.254,99 1.355,100 28.866,101 11.69,102 33.624,103 14.222,104 18,105 53,106 0.257,107 0.578,108 0.745,109 0.875,110 0.903,111 0.903,112 3.532,113 0.97,114 -5.86,115 -5.72,116 -5.33,119 48.2,121 1,124 1,125 2,142 12,143 5,144 3,152 2,158 1,163 1,164 1,165 1,172 16,174 1,175 4,180 1,183 22,185 1,187 10,192 2,195 20,197 2,199 8,204 2,207 16,209 2,212 9,217 2,220 14,222 2,224 5,229 2,232 14,234 2,236 2,237 5,242 1,245 15,247 1,250 2,252 1,253 1,255 1,258 16,260 1,263 3,271 12,275 1865,276 22.593,277 22.593,278 22.593,279 22.593,280 22.593,281 19.831,282 20.834,283 13.091,284 23.078,285 18.177,286 18.177,287 18.177,288 18.177,289 18.177,290 13.817,291 23.144,292 6.109,293 19.032,294 4.222,295 2.238,296 1.202,297 0.398,298 0.228,299 0.228,300 4.24,301 1,305 1,306 935,307 3.464,310 60.118,311 272.178,312 81.199,315 119.641,316 131.225,318 2.22,319 26.758,322 0.75,323 0.67,324 1,325 0.6,326 0.5,327 1,328 1,329 0.79,330 69.333,331 426,332 4.574,333 3.737,334 6.763,335 4.18,336 3.23,337 4.284,338 1.2,339 11.091,340 3.073,341 4.359,342 3.296,343 6.614,344 4.012,345 3.057,346 3.956,347 0.86,348 10.371,349 2.919,350 4.242,351 3.123,352 6.197,353 3.859,354 2.879,355 3.846,356 0.522,357 9.28,358 2.805,359 4.012,360 2.931,361 6.002,362 3.585,363 2.628,364 3.573,365 0.293,366 8.466,367 2.497,368 3.745,369 2.729,370 5.677,371 3.364,372 2.385,373 3.118,375 7.41,376 2.323,377 3.539,378 2.461,379 5.274,380 3.188,381 2.21,382 2.853,384 6.636,385 2.156,386 3.058,387 2.192,388 4.903,389 2.734,390 1.815,391 2.232,393 5.075,394 1.649,395 3.02,396 2.162,397 4.728,398 2.671,399 1.748,400 2.147,402 4.939,403 1.604,404 2.912,405 1.741,406 4.275,407 2.472,408 1.482,409 2.082,411 3.919,412 1.464,413 2.859,414 1.576,415 4.069,416 2.351,417 1.414,418 2.009,420 3.22,421 1.253,422 2.653,423 1.571,424 3.877,425 2.168,426 1.196,427 1.69,428 2.933,429 1.149,430 2.611,431 1.184,432 3.605,433 2.124,434 1.129,435 1.641,436 2.676,437 1.117,438 2.394,439 1.162,440 3.484,441 1.949,442 0.982,443 1.346,445 2.492,446 0.941,447 2.13,448 1.028,449 3.4,450 1.703,451 0.816,452 1.051,454 2.122,455 0.705,456 1.922,457 0.897,458 3.2,459 1.461,460 0.46,461 0.62,463 1.072,464 0.445,465 16.514,466 0.5,467 0.798,468 0.024,469 45,470 1.364,471 24.5,472 0.742,473 20.5,474 0.621,475 29.482,476 0.893,477 33.286,478 0.594,479 34.752,480 1.053,481 8.758,482 0.265,483 7.288,484 0.221,485 0.118,487 0.357,493 0.734,494 0.979,495 0.64,496 0.797,497 0.7,498 0.792,499 0.891,500 0.854,501 0.725,502 0.762,503 0.674,504 0.787,505 0.948,506 1.052,507 0.864,508 1.011,509 0.772,510 0.93,511 1.207,512 1.105,513 1.166,514 1.16,515 1.337,516 1.084,517 1.015,518 1.099,519 1.359,520 1.311,521 1,522 1.138,523 1.104,524 1.023,525 0.764,526 0.929,527 1.292,528 0.966,529 1.102,530 0.923,531 0.96,532 0.921,533 1.291,534 0.928,535 0.922,536 0.96,537 0.94,538 1.001,539 0.802,540 1.015,541 6,542 0.18,543 4.222,544 2.757,545 2.133,546 1.282,547 0.686,548 0.609,549 0.38,550 0.256,551 15873,552 42901,553 2.131,554 41.1,556 19,559 2,561 2,564 1.752,565 2,566 3.639,567 0.132,573 88.788,574 1.585,575 3.569,576 4.606,577 5.41,578 5.58,579 5.58,580 3.06,581 5.044,582 5.012,583 3.803,584 2007.98,585 8.778,586 29476.1,591 325.212,592 1.393,593 4.979,594 0.162,595 0.006,596 0.08,597 0.046,598 0.039,599 0.026,600 0.016,601 0.014,602 0.01,603 0.007,604 0.406,605 0.17,606 0.63,607 0.675,608 174.692,609 -0.041,610 0.041,611 0.036,612 0.059,613 -0.1,614 0.054,615 -0.011,616 0.171,617 0.072,618 0.156,619 -0.017,620 0.105,621 0.042,622 -0.069,623 0.069,624 -0.034,625 0.053,626 0.007,627 -0.112,628 -0.098,629 -0.098,630 -0.111,631 -0.123,632 -0.131,633 -0.013,634 -0.118,635 -0.191,636 -0.205,637 0.037,638 -0.135,639 -0.045,640 -0.043,641 0.117,642 0.053,643 -0.055,644 0.014,645 0.066,646 0.084,647 -0.007,648 0.068,649 -0.007,650 0.033,651 -0.023,652 0.015,653 -0.044,654 -0.003,655 -0.024,656 -0.026,657 1.737,658 6.249,659 0.788,660 38.048,661 1,662 1.104,663 4.631,664 21.444,665 0.729,666 3.638,667 3.989,668 4.317,669 4.595,670 4.844,671 4.997,672 5.17,673 5.347,674 5.553,675 5.69,676 7.426,677 0.684,678 475.04,679 3.638,680 5.198,681 6.075,682 6.969,683 7.861,684 8.76,685 9.658,686 10.56,687 11.462,688 12.367,689 3.6,690 1,696 1,704 12,708 1,709 10,711 23,719 1,729 1,730 1,731 56,733 24,734 3,735 37,737 60,738 27,739 22,740 7,741 11,742 1,746 5,747 8,748 1,752 1,755 1,758 1,761 23,762 4,766 1,771 1,775 1,781 23,782 4,783 2,784 6,785 2,790 2,794 0.6,795 2,811 1,812 3,813 1,816 1,817 1,833 1,840 3,842 1,844 1,845 1,848 33,849 1,854 3,856 1,859 1,865 1,869 1,870 3.6,873 1,875 1,877 16.5,878 10.426,879 7.222,880 3.294,881 4.13,882 1.483,883 1.033,884 6.239,885 12.684,886 3.922,887 4.551,888 5.182,889 5.771,890 6.305,891 6.627,892 7.068,893 7.5,894 7.964,895 8.372,896 0.889,897 60,898 12.21,900 5.275,901 7.66,902 23.514,904 19.777,905 2.16,906 71.278,910 247.193,911 197.472,912 36.022,913 39.149,914 36.145,916 31.278,917 166.194,918 322.487,919 36.022,920 8.396,921 45.254,922 113.715,923 29.85,924 38.429,925 2.717,926 278.471,927 39.149,928 247.193,929 202.216,930 36.145,931 70.426,933 223.651,934 59.687,937 45.254,938 156.961,939 39.149,940 31.278,941 247.193,942 72.166,943 236.62,946 247.193,947 75.36,948 125.236,950 108.191,951 247.193,952 72.166,953 236.62,955 0.586,956 0.36,957 0.194,958 0.104,959 27,960 12,961 0.067,962 4,963 2,964 1.154,965 4.334,966 321.311,967 0.154,968 26,969 166.465,970 1,974 22.146,975 9.298,976 4.308,978 72.166,979 23.875,983 1.505,984 9.293,986 32.897,987 555.98,988 49.5,993 13.249,997 -0.07,999 55.978,1000 61.847,1001 0.273,1002 0.615,1003 0.793,1004 0.932,1005 0.961,1006 0.961,1007 5.169,1008 1.748,1009 6.071,1010 5.075,1011 4.673,1012 5.239,1013 1.775,1014 6.919,1015 4.584,1016 6.388,1017 1.482,1018 7.655,1019 4.939,1020 4.29,1021 5.037,1022 0.325,1023 7.877,1024 4.141,1025 7.706,1026 1.414,1027 9.339,1028 3.919,1029 6.304,1030 7.452,1031 1.754,1032 11.005,1033 6.14,1034 9.061,1035 1.196,1036 11.082,1037 3.22,1038 6.758,1039 8.075,1040 0.653,1041 12.779,1042 6.526,1043 10.448,1044 1.129,1045 12.862,1046 2.933,1047 8.228,1048 9.942,1049 1.878,1050 15.419,1051 7.982,1052 11.858,1053 0.982,1054 14.667,1055 2.676,1056 9.054,1057 10.949,1058 1.001,1059 17.524,1060 8.739,1061 13.284,1062 0.816,1063 16.489,1064 2.492,1065 10.315,1066 12.581,1067 2.072,1068 19.996,1069 9.977,1070 3.23,1071 0.46,1072 18.324,1073 2.122,1074 11.312,1075 13.782,1076 1.37,1077 22.246,1078 10.909,1079 3.057,1080 11.091,1081 20.169,1082 1.072,1083 12.492,1084 15.304,1085 2.309,1086 24.656,1087 12.057,1088 2.879,1089 10.371,1090 22.023,1091 4.284,1092 13.566,1093 16.607,1094 1.754,1095 26.974,1096 13.072,1097 2.628,1098 9.28,1099 23.882,1100 3.956,1101 14.717,1102 18.076,1103 2.576,1104 29.362,1105 14.184,1106 2.385,1107 8.466,1108 25.747,1109 3.846,1110 15.828,1111 19.435,1112 2.143,1113 31.713,1114 15.239,1115 2.21,1116 7.41,1117 27.616,1118 3.573,1119 16.972,1120 20.88,1121 2.865,1122 34.096,1123 16.338,1124 1.815,1125 6.636,1126 29.489,1127 3.118,1128 18.1,1129 22.27,1130 2.535,1131 36.463,1132 17.414,1133 14836,1134 24567,1135 24.967,1136 40.801,1137 56.42,1138 57.697,1139 58.188,1140 55.943,1141 55.718,1142 73.856,1143 5.749,1144 164.648,1145 53.008,1146 5.449,1147 5.737,1148 6.448,1149 5.331,1150 5.23,1151 7.284,1152 2.293,1153 18.499,1154 5.073,1155 15.348,1156 1.525,1157 1.559,1158 1.573,1159 1.512,1160 1.506,1161 1.996,1162 0.155,1163 4.45,1164 1.433,1165 4.084,1166 4.095,1167 4.293,1168 4.073,1169 7.428,1170 4.04,1171 3.936,1172 3.96,1173 4.004,1174 3.898,1175 5.037,1176 3.877,1177 3.887,1178 3.908,1179 3.932,1180 3.841,1181 4.937,1182 3.829,1183 3.69,1184 3.711,1185 3.685,1186 3.64,1187 4.88,1188 3.625,1189 3.455,1190 3.509,1191 3.376,1192 3.271,1193 4.65,1194 3.276,1195 3.288,1196 3.385,1197 3.3,1198 3.108,1199 4.444,1200 3.093,1201 3.283,1202 3.341,1203 3.249,1204 3.082,1205 4.345,1206 3.079,1207 2.942,1208 2.986,1209 3.121,1210 2.849,1211 4.281,1212 2.839,1213 0.124,1214 0.101,1215 0.183,1216 0.113,1217 0.087,1218 4.574,1219 0.116,1220 3.737,1221 0.032,1222 6.763,1223 0.3,1224 4.18,1225 0.083,1226 3.23,1227 4.284,1228 1.2,1229 11.091,1230 3.073,1231 2,1232 1.983,1233 2.086,1234 2.061,1235 1.238,1236 2.071,1237 1.891,1238 1.867,1239 1.981,1240 1.99,1241 1.141,1242 1.994,1243 1.798,1244 1.779,1245 1.897,1246 1.878,1247 1.085,1248 1.888,1249 1.659,1250 1.628,1251 1.837,1252 1.797,1253 1.031,1254 1.812,1255 1.483,1256 1.472,1257 1.65,1258 1.662,1259 0.74,1260 1.667,1261 1.281,1262 1.213,1263 1.552,1264 1.546,1265 0.642,1266 1.557,1267 1.19,1268 1.122,1269 1.413,1270 1.375,1271 0.574,1272 1.411,1273 1.122,1274 1.078,1275 1.208,1276 1.238,1277 0.474,1278 1.27,1279 4.317,1281 5.659,1282 2.398,1283 7.197,1284 4.844,1285 8.819,1286 7.034,1287 10.485,1289 1.757,1290 6.311,1293 5.813,1295 1.825,1297 6.11,1300 1.61,1305 38.282,1306 88.788,1307 199.889,1308 257.928,1309 302.947,1310 312.457,1311 312.457,1312 53.99,1313 8.554,1314 55.56,1315 83.8,1316 30,1317 12.886,1318 4.644,1319 3.755,1320 47.908,1321 147,1322 153,1323 0.16,1324 238.713,1325 411.88,1326 574.219,1327 68546,1328 1.8,1329 22.949,1330 0.695,1331 0.598,1332 23.803,1333 19.749,1334 16.046,1335 0.434,1336 0.323,1337 10.779,1338 14.979,1339 10.385,1340 8.571,1341 16.743,1342 11.962,1343 14.428,1344 0.272,1345 0.178,1346 15.415,1347 9.454,1348 13.061,1349 0.176,1350 0.1,1351 14.294,1352 7.408,1353 10.854,1354 0.111,1355 0.057,1356 12.182,1357 5.582,1358 8.849,1359 0.07,1360 0.03,1361 9.926,1362 3.807,1363 0.252,1364 105.995,1365 0.2,1366 30.612,1367 0.437,1368 180,1369 477.492,1370 230.008,1371 519.983,1372 713.9,1373 488,1374 217,1375 493.288,1376 264.566,1377 530.643,1378 786.16,1379 501,1380 7.638}
{0 CHEMBL1950034,1 1.748,2 10.179,3 4.309,4 18.565,5 111.215,6 9.176,7 0.548,8 3.926,9 4.011,10 3.707,11 3.585,12 5.111,13 3.547,14 4.43,15 4.55,16 4.137,17 3.998,18 5.634,19 3.938,20 4.684,21 4.81,22 4.332,23 4.163,24 5.899,25 4.1,26 4.761,27 4.897,28 4.296,29 4.198,30 5.973,31 4.094,32 4.731,33 4.894,34 4.133,35 4.128,36 5.902,37 3.995,38 4.637,39 4.824,40 4.143,41 3.965,42 5.842,43 3.856,44 4.482,45 4.63,46 3.9,47 3.818,48 5.764,49 3.747,50 4.461,51 4.654,52 3.628,53 3.731,54 5.589,55 3.632,56 0.073,57 0.594,58 6.4,59 3.953,60 10.955,61 4.349,62 0.273,63 0.976,64 14.117,65 7.107,66 29.083,67 7.854,68 0.36,69 1.222,70 22.872,71 9.703,72 34.959,73 10.201,74 0.443,75 1.337,76 28.137,77 11.203,78 56.915,79 11.043,80 0.438,81 1.29,82 34.417,83 12.113,84 57.305,85 12.834,86 0.496,87 1.193,88 29.777,89 10.35,90 58.285,91 11.357,92 0.466,93 1.006,94 21.894,95 8.125,96 52.882,97 8.214,98 0.33,99 0.977,100 18.071,101 7.511,102 55.304,103 8.612,104 27,105 45,106 0.298,107 0.642,108 0.789,109 0.887,110 0.895,111 0.895,112 3.375,113 0.955,114 -4.39,115 -4.32,116 -4.07,119 46.7,121 1,124 1,125 1,142 8,143 3,144 3,152 2,158 2,163 1,164 1,165 1,172 9,174 1,175 5,177 1,178 1,180 1,183 12,185 1,187 12,192 2,195 10,197 2,199 9,204 2,207 8,209 2,212 7,220 8,223 1,224 5,226 1,227 1,229 2,232 8,234 2,236 2,237 6,242 2,245 7,247 2,250 2,258 8,262 2,263 1,265 2,266 2,271 7,275 1092,276 18.706,277 18.706,278 18.706,279 18.706,280 18.706,281 16.46,282 18.439,283 10.751,284 19.16,285 15.246,286 15.246,287 15.246,288 15.246,289 15.246,290 11.68,291 18.272,292 5.056,293 16.048,294 3.744,295 1.726,296 0.861,297 0.283,298 0.239,299 0.239,300 4.068,301 1,304 1,305 1,306 616,307 3.606,310 46.536,311 147.714,312 65.417,315 95.832,316 109.222,318 1.548,319 33.001,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 60.333,331 285,332 4.576,333 3.737,334 6.767,335 4.182,336 3.232,337 4.284,338 1.2,339 11.112,340 3.074,341 4.347,342 3.512,343 6.615,344 4.005,345 3.053,346 3.898,347 0.98,348 10.373,349 2.898,350 4.147,351 3.264,352 6.062,353 3.735,354 2.761,355 3.757,356 0.86,357 8.717,358 2.685,359 3.885,360 3.117,361 5.882,362 3.509,363 2.537,364 3.252,365 0.293,366 7.981,367 2.429,368 3.649,369 2.735,370 5.649,371 3.262,372 2.296,373 2.969,375 7.281,376 2.207,377 3.065,378 2.212,379 4.904,380 2.728,381 1.8,382 2.242,384 5.076,385 1.654,386 3.008,387 2.188,388 4.725,389 2.676,390 1.754,391 2.131,393 4.929,394 1.606,395 2.859,396 1.856,397 4.069,398 2.351,399 1.414,400 2.009,402 3.213,403 1.284,404 2.786,405 1.726,406 3.905,407 2.293,408 1.284,409 1.8,411 3.025,412 1.251,413 2.647,414 1.576,415 3.748,416 2.154,417 1.177,418 1.656,420 2.912,421 1.131,422 2.375,423 1.243,424 3.604,425 1.946,426 0.981,427 1.319,428 2.502,429 0.937,430 2.141,431 1.029,432 3.405,433 1.68,434 0.796,435 1.051,436 2.112,437 0.685,438 1.922,439 0.865,440 3.198,441 1.462,442 0.459,443 0.619,445 1.071,446 0.445,447 1.258,448 0.362,449 2.742,450 0.948,456 1,457 0.331,458 2.604,459 0.532,460 -0.286,461 -0.343,463 -0.61,464 -0.189,465 13.848,466 0.495,467 0.806,468 0.029,469 37.75,470 1.348,471 20,472 0.714,473 17.75,474 0.634,475 23.973,476 0.856,477 28.752,478 0.639,479 28.758,480 1.027,481 7.394,482 0.264,483 6.058,484 0.216,485 0.165,487 0.39,493 0.7,494 1.011,495 0.608,496 0.788,497 0.623,498 0.768,499 0.763,500 0.851,501 0.679,502 0.738,503 0.52,504 0.744,505 1.017,506 1.078,507 0.894,508 1.027,509 0.848,510 0.927,511 1.245,512 1.105,513 1.251,514 1.18,515 1.254,516 1.109,517 0.913,518 1.121,519 1.429,520 1.377,521 0.921,522 1.191,523 0.799,524 1.045,525 0.77,526 1.007,527 1.034,528 0.924,529 1.215,530 1.155,531 1.168,532 1.139,533 1.368,534 1.062,535 1.091,536 1.048,537 0.86,538 0.942,539 1.304,540 1.122,541 5.5,542 0.124,543 4,544 2.507,545 1.871,546 1.191,547 0.607,548 0.595,549 0.287,550 0.18,551 9161,552 29797,553 2.072,554 37.8,556 13,559 2,561 2,564 1.713,565 1.909,566 3.337,567 0.247,569 1,573 78.653,574 1.748,575 3.766,576 4.631,577 5.208,578 5.253,579 5.253,580 2.768,581 4.593,582 4.78,583 3.479,584 1314.98,585 8.327,586 16786.6,588 1,590 1,591 247.133,592 1.497,593 4.723,594 0.177,595 0.006,596 0.089,597 0.049,598 0.041,599 0.03,600 0.016,601 0.017,602 0.011,603 0.007,604 0.444,605 0.33,606 1,607 0.787,608 138.621,609 -0.063,610 0.029,611 0.025,612 0.058,613 -0.087,614 0.052,615 0.039,616 0.178,617 0.097,618 0.184,619 0.087,620 0.139,621 -0.05,622 -0.088,623 0.031,624 -0.045,625 -0.01,626 -0.011,627 -0.206,628 -0.088,629 -0.173,630 -0.109,631 -0.173,632 -0.17,633 -0.037,634 -0.136,635 -0.217,636 -0.23,637 -0.016,638 -0.167,639 0.155,640 -0.047,641 0.22,642 0.059,643 0.052,644 0.094,645 -0.043,646 -0.132,647 -0.194,648 -0.144,649 -0.09,650 -0.139,651 -0.164,652 -0.081,653 -0.114,654 -0.089,655 -0.196,656 -0.161,657 2.167,658 6.061,659 0.714,660 23.429,661 1.015,662 1.107,663 3.155,664 9.956,665 0.733,666 3.466,667 3.829,668 4.143,669 4.407,670 4.654,671 4.828,672 4.956,673 5.088,674 5.247,675 5.318,676 6.12,677 0.698,678 412.92,679 3.466,680 5.03,681 5.905,682 6.801,683 7.695,684 8.597,685 9.497,686 10.402,687 11.306,688 12.213,689 4.4,696 2,704 8,708 1,709 8,711 17,717 1,719 1,729 1,730 1,731 45,733 19,734 2,735 31,737 48,738 21,739 16,740 5,741 7,742 2,746 4,747 7,748 1,755 1,758 1,761 18,762 3,766 2,771 2,775 2,778 1,781 17,782 5,783 2,784 7,785 2,790 2,794 0.5,795 3,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,845 1,848 28,849 1,854 2,856 1,859 1,865 1,869 1,870 6.7,873 2,875 1,877 14.667,878 8.51,879 6.056,880 2.572,881 3.24,882 1.412,883 1.015,884 5.234,885 11.103,886 3.75,887 4.373,888 4.983,889 5.548,890 6.063,891 6.402,892 6.758,893 7.108,894 7.495,895 7.801,896 0.857,897 51,898 10.366,900 4.528,901 7.897,902 19.472,904 16.226,905 2.397,906 67.111,909 1,910 176.567,911 155.795,912 36.022,913 39.149,914 61.29,916 31.278,917 124.517,918 277.005,919 36.022,920 8.396,921 43.148,922 75.81,923 59.699,924 32.057,925 2.717,926 207.844,927 39.149,928 176.567,929 160.538,930 61.29,931 70.426,933 153.024,934 84.832,937 43.148,938 117.39,939 39.149,940 31.278,941 176.567,942 97.311,943 194.943,946 176.567,947 71.588,948 87.331,950 133.336,951 176.567,952 97.311,953 194.943,955 0.594,956 0.359,957 0.188,958 0.102,959 23,960 11,961 0.063,962 3,963 2,964 1.2,965 3.817,966 255.585,967 0.2,968 20,969 134.606,970 1,974 19.124,975 7.664,976 3.609,978 97.311,979 14.247,983 1.382,984 5.582,986 32.897,987 468.821,988 41.5,993 24.648,997 -0.639,999 45.654,1000 49.81,1001 0.318,1002 0.686,1003 0.843,1004 0.948,1005 0.956,1006 0.956,1007 5.006,1008 1.414,1009 5.916,1010 4.929,1011 4.511,1012 5.059,1013 1.985,1014 6.774,1015 4.412,1016 6.233,1017 1.284,1018 7.513,1019 3.213,1020 4.205,1021 4.934,1022 0.325,1023 7.763,1024 4.049,1025 7.558,1026 1.177,1027 9.209,1028 3.025,1029 6.155,1030 7.267,1031 2.011,1032 10.888,1033 5.972,1034 8.919,1035 0.981,1036 10.963,1037 2.912,1038 6.661,1039 7.953,1040 0.653,1041 12.679,1042 6.414,1043 10.311,1044 0.796,1045 12.752,1046 2.502,1047 8.098,1048 9.766,1049 2.113,1050 15.325,1051 7.828,1052 11.725,1053 0.459,1054 14.565,1055 2.112,1056 8.956,1057 10.818,1058 1.001,1059 17.442,1060 8.619,1061 13.156,1063 16.394,1064 1.071,1065 10.204,1066 12.418,1067 2.265,1068 19.921,1069 9.836,1070 3.232,1071 -0.286,1072 18.235,1074 11.219,1075 13.649,1076 1.37,1077 22.182,1078 10.787,1079 3.053,1080 11.112,1081 20.086,1082 -0.61,1083 12.395,1084 15.154,1085 2.459,1086 24.6,1087 11.925,1088 2.761,1089 10.373,1090 21.944,1091 4.284,1092 13.48,1093 16.477,1094 1.754,1095 26.927,1096 12.95,1097 2.537,1098 8.717,1099 23.807,1100 3.898,1101 14.633,1102 17.938,1103 2.689,1104 29.324,1105 14.059,1106 2.296,1107 7.981,1108 25.676,1109 3.757,1110 15.751,1111 19.311,1112 2.143,1113 31.683,1114 15.12,1115 1.8,1116 7.281,1117 27.549,1118 3.252,1119 16.898,1120 20.754,1121 2.947,1122 34.073,1123 16.219,1124 1.754,1125 5.076,1126 29.426,1127 2.969,1128 18.033,1129 22.154,1130 2.535,1131 36.448,1132 17.299,1133 8793,1134 15977,1135 20.403,1136 32.972,1137 48.009,1138 49.488,1139 49.584,1140 47.308,1141 47.088,1142 61.977,1143 6.665,1144 140.61,1145 44.572,1146 5.449,1147 5.737,1148 6.452,1149 5.333,1150 5.232,1151 7.284,1152 2.293,1153 18.521,1154 5.074,1155 15.078,1156 1.549,1157 1.596,1158 1.599,1159 1.526,1160 1.519,1161 1.999,1162 0.215,1163 4.536,1164 1.438,1165 4.063,1166 4.069,1167 4.293,1168 4.057,1169 7.438,1170 4.017,1171 3.912,1172 3.938,1173 4.004,1174 3.845,1175 7.427,1176 3.841,1177 3.769,1178 3.783,1179 3.83,1180 3.736,1181 4.943,1182 3.711,1183 3.48,1184 3.524,1185 3.418,1186 3.282,1187 4.913,1188 3.293,1189 3.314,1190 3.365,1191 3.324,1192 3.104,1193 4.819,1194 3.105,1195 3.257,1196 3.32,1197 3.255,1198 3.042,1199 4.459,1200 3.06,1201 2.916,1202 2.959,1203 3.185,1204 2.801,1205 4.345,1206 2.775,1207 2.879,1208 2.922,1209 2.784,1210 2.771,1211 4.257,1212 2.76,1213 0.148,1214 0.121,1215 0.218,1216 0.135,1217 0.104,1218 4.576,1219 0.138,1220 3.737,1221 0.039,1222 6.767,1223 0.358,1224 4.182,1225 0.099,1226 3.232,1227 4.284,1228 1.2,1229 11.112,1230 3.074,1231 1.916,1232 1.906,1233 1.982,1234 1.994,1235 1.168,1236 1.995,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.098,1242 1.99,1243 1.663,1244 1.631,1245 1.84,1246 1.797,1247 1.078,1248 1.812,1249 1.486,1250 1.479,1251 1.65,1252 1.662,1253 0.739,1254 1.667,1255 1.273,1256 1.251,1257 1.435,1258 1.555,1259 0.574,1260 1.515,1261 1.19,1262 1.123,1263 1.359,1264 1.366,1265 0.515,1266 1.407,1267 1.025,1268 0.97,1269 1.201,1270 1.204,1271 0.206,1272 1.239,1273 0.869,1274 0.824,1275 1.127,1276 1.026,1277 0.187,1278 1.07,1279 4.143,1281 5.493,1282 2.398,1283 7.031,1284 4.844,1285 8.652,1286 7.034,1287 10.319,1289 1.705,1290 6.236,1293 5.428,1295 1.177,1297 5.799,1300 1.546,1305 31.416,1306 78.653,1307 169.482,1308 208.379,1309 234.379,1310 236.379,1311 236.379,1312 53.763,1313 7.863,1314 72.63,1315 100.87,1316 24,1317 12.731,1318 4.322,1319 3.524,1320 42.313,1321 105,1322 94,1323 0.204,1324 198.403,1325 345.41,1326 475.864,1327 28348,1328 2.2,1329 19.836,1330 0.708,1331 0.594,1332 20.69,1333 16.641,1334 13.452,1335 0.434,1336 0.318,1337 8.678,1338 12.319,1339 8.353,1340 6.873,1341 14.149,1342 9.872,1343 12.471,1344 0.277,1345 0.176,1346 13.458,1347 7.914,1348 10.943,1349 0.177,1350 0.1,1351 12.176,1352 6.194,1353 8.865,1354 0.109,1355 0.058,1356 10.182,1357 4.673,1358 7.142,1359 0.069,1360 0.031,1361 8.247,1362 3.182,1363 0.315,1364 90.946,1365 0.221,1366 26.3,1367 0.58,1368 152,1369 469.228,1370 204.556,1371 502.914,1372 674.16,1373 468,1374 183,1375 453.347,1376 232.394,1377 485.53,1378 717.84,1379 457,1380 9}
{0 CHEMBL1950035,1 1.691,2 11.367,3 4.863,4 23.653,5 120.86,6 8.647,7 0.515,8 4.033,9 4.127,10 3.767,11 3.672,12 5.156,13 3.627,14 4.56,15 4.705,16 4.181,17 4.076,18 5.672,19 4.008,20 4.808,21 4.964,22 4.38,23 4.237,24 5.959,25 4.167,26 4.861,27 5.004,28 4.359,29 4.276,30 6.061,31 4.176,32 4.836,33 4.993,34 4.209,35 4.233,36 6.002,37 4.104,38 4.79,39 4.984,40 4.219,41 4.116,42 5.915,43 3.996,44 4.683,45 4.859,46 4.043,47 4.003,48 5.847,49 3.912,50 4.654,51 4.84,52 3.864,53 3.959,54 5.71,55 3.849,56 0.043,57 0.679,58 8.521,59 4.739,60 7.221,61 5.563,62 0.273,63 1.14,64 18.739,65 8.349,66 22.932,67 9.791,68 0.35,69 1.41,70 29.309,71 11.219,72 36.388,73 12.762,74 0.433,75 1.471,76 33.205,77 12.492,78 59.118,79 13.017,80 0.433,81 1.427,82 37.281,83 13.206,84 62.709,85 14.289,86 0.466,87 1.382,88 34.212,89 11.991,90 53.26,91 13.96,92 0.437,93 1.228,94 27.279,95 10.153,96 51.228,97 11.572,98 0.345,99 1.191,100 25.36,101 9.758,102 46.96,103 11.15,104 29,105 47,106 0.281,107 0.621,108 0.802,109 0.887,110 0.893,111 0.893,112 3.441,113 0.99,114 -4.81,115 -4.72,116 -4.43,119 45.1,120 1,121 1,124 1,125 2,142 8,143 3,144 3,152 2,158 2,172 9,174 1,175 5,178 1,180 2,183 12,187 12,192 2,195 10,199 10,204 2,207 9,212 7,220 10,223 1,224 5,227 1,229 2,232 10,236 2,237 6,242 2,245 7,250 3,258 10,262 2,263 1,266 2,271 9,275 1430,276 20.284,277 20.284,278 20.284,279 20.284,280 20.284,281 18.09,282 21.553,283 11.859,284 20.834,285 16.205,286 16.205,287 16.205,288 16.205,289 16.205,290 12.655,291 21.613,292 5.506,293 17.096,294 3.981,295 1.942,296 0.853,297 0.343,298 0.304,299 0.304,300 4.135,301 1,304 1,305 1,306 730,307 3.873,310 52.169,311 160.953,312 72.51,315 106.466,316 120.113,318 1.791,319 32.62,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.333,331 341,332 4.577,333 3.737,334 6.768,335 4.183,336 3.232,337 4.285,338 1.2,339 11.115,340 3.077,341 4.348,342 3.564,343 6.616,344 4.007,345 3.055,346 3.9,347 1.058,348 10.375,349 2.902,350 4.159,351 3.269,352 6.087,353 3.763,354 2.786,355 3.762,356 0.86,357 8.818,358 2.712,359 3.909,360 3.118,361 5.949,362 3.532,363 2.567,364 3.276,365 0.293,366 8.236,367 2.442,368 3.659,369 2.736,370 5.667,371 3.273,372 2.308,373 2.979,375 7.342,376 2.215,377 3.066,378 2.215,379 4.904,380 2.731,381 1.807,382 2.243,384 5.077,385 1.655,386 3.012,387 2.188,388 4.726,389 2.677,390 1.754,391 2.133,393 4.937,394 1.608,395 2.895,396 1.863,397 4.225,398 2.515,399 1.546,400 2.01,402 3.859,403 1.489,404 2.859,405 1.726,406 4.068,407 2.351,408 1.414,409 1.965,411 3.211,412 1.254,413 2.649,414 1.576,415 3.821,416 2.164,417 1.187,418 1.661,420 2.913,421 1.142,422 2.379,423 1.51,424 3.604,425 1.978,426 1.023,427 1.329,428 2.503,429 0.967,430 2.159,431 1.243,432 3.424,433 1.841,434 0.852,435 1.085,436 2.184,437 0.831,438 2.061,439 1.029,440 3.2,441 1.677,442 0.776,443 0.945,445 1.387,446 0.681,447 1.922,448 0.865,449 2.975,450 1.462,451 0.459,452 0.618,454 1.065,455 0.444,456 1.257,457 0.348,458 2.703,459 0.949,465 14.848,466 0.495,467 0.768,468 0.026,469 39,470 1.3,471 20,472 0.667,473 19,474 0.633,475 27.448,476 0.915,477 31.352,478 0.615,479 30.239,480 1.008,481 7.554,482 0.252,483 6.936,484 0.231,485 0.16,487 0.364,493 0.676,494 1.138,495 0.627,496 0.873,497 0.547,498 0.848,499 0.798,500 0.894,501 0.697,502 0.754,503 0.572,504 0.769,505 1.015,506 1.012,507 0.845,508 0.952,509 0.844,510 0.845,511 1.391,512 1.074,513 1.223,514 1.128,515 1.511,516 1.043,517 1.086,518 1.132,519 1.436,520 1.352,521 1.218,522 1.188,523 0.756,524 1.068,525 0.77,526 1.022,527 1.021,528 0.96,529 1.051,530 1.097,531 0.999,532 1.045,533 1.219,534 0.994,535 1.201,536 1.036,537 1.002,538 1.024,539 1.18,540 1.068,541 5.5,542 0.157,543 4.222,544 2.632,545 1.871,546 1.219,547 0.668,548 0.623,549 0.349,550 0.249,551 11091,552 33179,553 2.067,554 41.2,556 15,559 1,561 5,564 1.731,565 1.915,566 3.466,567 -0.349,573 86.258,574 1.691,575 3.731,576 4.819,577 5.329,578 5.368,579 5.368,580 2.961,581 4.64,582 4.876,583 3.605,584 1568.35,585 8.523,586 21180.9,588 1,591 289.294,592 1.475,593 4.828,594 0.167,595 0.007,596 0.09,597 0.049,598 0.037,599 0.028,600 0.016,601 0.016,602 0.011,603 0.008,604 0.428,605 0.17,606 1,607 1.085,608 152.663,609 -0.032,610 -0.071,611 0.038,612 0.013,613 -0.048,614 0.022,615 0.038,616 0.174,617 0.108,618 0.181,619 0.042,620 0.141,621 -0.017,622 0.011,623 0.106,624 0.04,625 0.025,626 0.097,627 -0.213,628 -0.045,629 -0.132,630 -0.055,631 -0.176,632 -0.105,633 -0.092,634 -0.13,635 -0.248,636 -0.221,637 -0.079,638 -0.197,639 0.159,640 -0.071,641 0.181,642 0.018,643 0.039,644 0.037,645 0.038,646 -0.087,647 -0.051,648 -0.058,649 -0.026,650 -0.043,651 -0.186,652 -0.038,653 -0.145,654 -0.07,655 -0.143,656 -0.114,657 1.794,658 6.156,659 0.667,660 28.622,661 1.008,662 1.111,663 3.581,664 12.826,665 0.716,666 3.526,667 3.871,668 4.19,669 4.454,670 4.691,671 4.868,672 5.017,673 5.17,674 5.328,675 5.407,676 6.576,677 0.676,678 440.98,679 3.526,680 5.081,681 5.953,682 6.845,683 7.736,684 8.635,685 9.534,686 10.438,687 11.341,688 12.248,689 3.9,696 2,704 8,708 1,709 8,711 17,718 1,719 1,729 1,730 1,731 51,733 19,734 2,735 33,737 54,738 23,739 16,740 5,741 7,742 2,746 4,747 7,748 1,752 1,755 1,758 1,761 18,762 5,766 2,771 2,775 2,781 21,782 5,783 1,784 7,785 2,790 2,794 0.5,795 3,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 2,845 1,848 30,854 3,855 1,856 1,859 1,865 1,869 1,870 5.9,873 2,875 1,877 15.667,878 9.926,879 6.639,880 3.176,881 3.227,882 1.403,883 0.998,884 6.23,885 11.244,886 3.795,887 4.398,888 5.01,889 5.571,890 6.08,891 6.424,892 6.795,893 7.16,894 7.541,895 7.853,896 0.875,897 54,898 11.136,900 4.794,901 7.804,902 21.128,904 17.422,905 2.304,906 69.111,909 1,910 235.422,911 166.725,912 21.135,913 39.149,914 61.29,916 31.278,917 135.448,918 335.86,919 21.135,920 17.222,921 30.368,922 75.81,923 59.699,924 32.057,925 2.717,926 266.7,927 39.149,928 235.422,929 156.583,930 61.29,931 70.426,933 176.567,934 120.145,937 39.193,938 117.39,939 39.149,940 31.278,941 235.422,942 82.425,943 205.874,946 235.422,947 73.694,948 96.156,949 18.011,950 100.438,951 235.422,952 82.425,953 205.874,955 0.583,956 0.356,957 0.191,958 0.101,959 23,960 11,961 0.074,962 4,963 2,964 1.2,965 3.994,966 277.862,967 0.2,968 20,969 147.207,970 1,974 21.041,975 8.883,976 4.183,978 82.425,979 14.624,983 1.416,984 5.956,986 18.011,987 523.721,988 43.5,993 25.454,997 -0.249,999 51.422,1000 56.641,1001 0.298,1002 0.658,1003 0.85,1004 0.939,1005 0.946,1006 0.946,1007 5.045,1008 1.546,1009 5.953,1010 4.937,1011 4.554,1012 5.085,1013 2.028,1014 6.806,1015 4.453,1016 6.26,1017 1.414,1018 7.544,1019 3.859,1020 4.205,1021 4.934,1022 0.325,1023 7.784,1024 4.049,1025 7.58,1026 1.187,1027 9.236,1028 3.211,1029 6.188,1030 7.281,1031 2.096,1032 10.916,1033 6.003,1034 8.937,1035 1.023,1036 10.988,1037 2.913,1038 6.673,1039 7.96,1040 0.653,1041 12.703,1042 6.429,1043 10.328,1044 0.852,1045 12.775,1046 2.503,1047 8.125,1048 9.775,1049 2.231,1050 15.35,1051 7.853,1052 11.741,1053 0.776,1054 14.587,1055 2.184,1056 8.974,1057 10.826,1058 1.001,1059 17.464,1060 8.64,1061 13.171,1062 0.459,1063 16.416,1064 1.387,1065 10.227,1066 12.425,1067 2.405,1068 19.943,1069 9.861,1070 3.232,1072 18.257,1073 1.065,1074 11.238,1075 13.656,1076 1.37,1077 22.201,1078 10.811,1079 3.055,1080 11.115,1081 20.107,1083 12.416,1084 15.16,1085 2.609,1086 24.618,1087 11.951,1088 2.786,1089 10.375,1090 21.964,1091 4.285,1092 13.5,1093 16.483,1094 1.754,1095 26.943,1096 12.977,1097 2.567,1098 8.818,1099 23.828,1100 3.9,1101 14.652,1102 17.944,1103 2.839,1104 29.338,1105 14.087,1106 2.308,1107 8.236,1108 25.696,1109 3.762,1110 15.769,1111 19.317,1112 2.143,1113 31.695,1114 15.149,1115 1.807,1116 7.342,1117 27.569,1118 3.276,1119 16.916,1120 20.76,1121 3.09,1122 34.084,1123 16.248,1124 1.754,1125 5.077,1126 29.445,1127 2.979,1128 18.05,1129 22.16,1130 2.535,1131 36.458,1132 17.329,1133 10712,1134 18673,1135 21.789,1136 36.495,1137 50.398,1138 52.192,1139 52.308,1140 49.749,1141 49.531,1142 64.38,1143 6.822,1144 146.046,1145 46.842,1146 5.453,1147 5.737,1148 6.537,1149 5.335,1150 5.232,1151 7.285,1152 2.293,1153 18.524,1154 5.077,1155 15.941,1156 1.527,1157 1.582,1158 1.585,1159 1.508,1160 1.501,1161 1.951,1162 0.207,1163 4.426,1164 1.419,1165 4.065,1166 4.072,1167 4.293,1168 4.058,1169 7.431,1170 4.018,1171 3.913,1172 3.938,1173 4.004,1174 3.845,1175 7.426,1176 3.841,1177 3.78,1178 3.799,1179 3.838,1180 3.741,1181 4.937,1182 3.716,1183 3.563,1184 3.629,1185 3.469,1186 3.354,1187 4.858,1188 3.361,1189 3.449,1190 3.507,1191 3.352,1192 3.265,1193 4.464,1194 3.265,1195 3.287,1196 3.343,1197 3.289,1198 3.104,1199 4.346,1200 3.091,1201 3.132,1202 3.173,1203 3.248,1204 2.942,1205 4.301,1206 2.953,1207 2.915,1208 2.959,1209 3.015,1210 2.801,1211 4.173,1212 2.775,1213 0.139,1214 0.113,1215 0.205,1216 0.127,1217 0.098,1218 4.577,1219 0.13,1220 3.737,1221 0.036,1222 6.768,1223 0.337,1224 4.183,1225 0.093,1226 3.232,1227 4.285,1228 1.2,1229 11.115,1230 3.077,1231 1.919,1232 1.908,1233 1.988,1234 2.002,1235 1.171,1236 2,1237 1.891,1238 1.867,1239 1.981,1240 1.989,1241 1.102,1242 1.993,1243 1.663,1244 1.632,1245 1.842,1246 1.798,1247 1.08,1248 1.812,1249 1.542,1250 1.491,1251 1.828,1252 1.778,1253 0.982,1254 1.797,1255 1.482,1256 1.448,1257 1.65,1258 1.662,1259 0.739,1260 1.667,1261 1.204,1262 1.178,1263 1.42,1264 1.411,1265 0.574,1266 1.416,1267 1.186,1268 1.119,1269 1.272,1270 1.346,1271 0.518,1272 1.371,1273 0.979,1274 0.929,1275 1.196,1276 1.176,1277 0.257,1278 1.206,1279 4.205,1281 5.541,1282 2.398,1283 7.071,1284 4.844,1285 8.687,1286 7.034,1287 10.351,1289 3.605,1290 6.268,1295 1.773,1296 2.82,1297 5.879,1300 1.565,1305 34.47,1306 86.258,1307 190.274,1308 245.784,1309 271.784,1310 273.784,1311 273.784,1312 59.018,1313 8.017,1314 58.64,1315 86.88,1316 24,1317 12.766,1318 4.322,1319 3.524,1320 46.917,1321 118,1322 131,1323 0.197,1324 217.588,1325 380.01,1326 522.674,1327 34471,1328 2,1329 21.25,1330 0.708,1331 0.609,1332 22.104,1333 18.271,1334 14.49,1335 0.439,1336 0.33,1337 9.69,1338 13.322,1339 9.313,1340 7.707,1341 15.187,1342 10.894,1343 12.993,1344 0.276,1345 0.179,1346 13.98,1347 8.409,1348 11.549,1349 0.178,1350 0.1,1351 12.782,1352 6.509,1353 9.468,1354 0.111,1355 0.058,1356 10.785,1357 4.924,1358 7.455,1359 0.069,1360 0.031,1361 8.559,1362 3.33,1363 0.305,1364 97.339,1365 0.214,1366 28.001,1367 0.553,1368 160,1369 482.248,1370 213.249,1371 513.798,1372 692.52,1373 480,1374 192,1375 468.192,1376 242.392,1377 499.418,1378 740.3,1379 471,1380 9}
{0 CHEMBL1950036,1 1.706,2 10.074,3 5.185,4 26.888,5 108.372,6 9.402,7 0.567,8 3.854,9 3.93,10 3.669,11 3.558,12 5.049,13 3.514,14 4.36,15 4.477,16 4.087,17 3.967,18 5.491,19 3.902,20 4.617,21 4.744,22 4.291,23 4.131,24 5.806,25 4.06,26 4.682,27 4.818,28 4.251,29 4.156,30 5.886,31 4.045,32 4.627,33 4.778,34 4.082,35 4.075,36 5.825,37 3.939,38 4.535,39 4.726,40 4.025,41 3.902,42 5.724,43 3.784,44 4.34,45 4.501,46 3.767,47 3.721,48 5.623,49 3.638,50 4.27,51 4.464,52 3.557,53 3.621,54 5.43,55 3.527,56 0.034,57 0.51,58 5.2,59 3.464,60 8.42,61 3.924,62 0.192,63 0.881,64 12.273,65 6.326,66 16.215,67 6.917,68 0.271,69 1.128,70 20.701,71 8.882,72 25.438,73 9.421,74 0.345,75 1.235,76 25.6,77 10.214,78 49.662,79 9.923,80 0.347,81 1.16,82 30.827,83 10.816,84 49.992,85 11.158,86 0.328,87 1.096,88 26.346,89 9.361,90 49.786,91 10.286,92 0.368,93 0.881,94 17.259,95 6.752,96 47.686,97 7.196,98 0.176,99 0.831,100 14.377,101 6.153,102 40.871,103 7.29,104 18,105 43,106 0.293,107 0.642,108 0.784,109 0.882,110 0.891,111 0.891,112 3.341,113 0.96,114 -4.77,115 -4.68,116 -4.4,119 50,121 1,124 1,125 1,142 8,143 3,144 3,152 2,158 2,172 9,174 1,175 5,183 12,187 12,195 10,199 9,207 8,212 7,220 8,223 1,224 5,232 8,236 2,237 6,245 7,250 2,258 8,262 2,263 1,271 7,275 1002,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.176,282 18.939,283 10.611,284 18.854,285 14.706,286 14.706,287 14.706,288 14.706,289 14.706,290 11.156,291 18.265,292 4.929,293 15.563,294 3.687,295 1.658,296 0.827,297 0.256,298 0.208,299 0.208,300 4.036,301 1,304 1,305 1,306 591,307 3.317,310 43.984,311 141.606,312 62.266,315 91.06,316 104.386,318 1.49,319 27.353,322 1,323 1,324 1,325 0.4,326 0.5,327 1,328 1,329 0.84,330 57.333,331 272,332 4.572,333 4.058,334 6.764,335 4.176,336 3.228,337 4.28,338 2.035,339 11.101,340 3.059,341 4.342,342 3.737,343 6.613,344 3.996,345 3.047,346 3.892,347 1.2,348 10.368,349 2.883,350 4.118,351 3.283,352 6.035,353 3.653,354 2.7,355 3.731,356 0.86,357 8.617,358 2.561,359 3.834,360 3.119,361 5.714,362 3.378,363 2.404,364 3.15,365 0.293,366 7.504,367 2.318,368 3.634,369 2.749,370 5.222,371 3.148,372 2.186,373 2.892,375 6.486,376 2.1,377 3.066,378 2.376,379 4.904,380 2.723,381 1.79,382 2.242,384 5.074,385 1.653,386 3.018,387 2.191,388 4.72,389 2.675,390 1.754,391 2.13,393 4.914,394 1.605,395 2.95,396 2.058,397 4.068,398 2.351,399 1.414,400 2.009,402 3.211,403 1.255,404 2.859,405 1.733,406 3.832,407 2.167,408 1.189,409 1.665,411 2.914,412 1.145,413 2.649,414 1.576,415 3.604,416 1.977,417 1.025,418 1.363,420 2.504,421 0.966,422 2.379,423 1.262,424 3.432,425 1.695,426 0.813,427 1.169,428 2.226,429 0.698,430 2.15,431 1.029,432 3.201,433 1.514,434 0.554,435 0.932,436 1.112,437 0.525,438 1.922,439 0.865,440 2.912,441 1.433,442 0.444,443 0.614,445 0.865,446 0.426,447 1.296,448 0.457,449 2.633,450 0.873,451 -0.058,452 -0.075,454 -0.121,455 -0.053,456 1,457 0.334,458 2.596,459 0.531,460 -0.286,461 -0.343,463 -0.61,464 -0.189,465 13.514,466 0.501,467 0.678,468 0.025,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 21.942,476 0.813,477 26.686,478 0.635,479 27.516,480 1.019,481 7.344,482 0.272,483 5.735,484 0.212,485 0.144,487 0.363,493 0.654,494 1.018,495 0.584,496 0.801,497 0.486,498 0.772,499 0.872,500 0.828,501 0.695,502 0.724,503 0.532,504 0.735,505 1.007,506 1.063,507 0.888,508 1.03,509 0.723,510 0.92,511 1.332,512 1.08,513 1.27,514 1.183,515 1.339,516 1.093,517 1.01,518 1.13,519 1.525,520 1.437,521 1.001,522 1.226,523 0.942,524 1.008,525 0.778,526 0.95,527 1.186,528 0.911,529 1.092,530 1.07,531 1.028,532 0.983,533 1.501,534 1.019,535 0.901,536 1.026,537 0.786,538 0.917,539 1.217,540 1.041,541 5,542 0.107,543 3.556,544 2.382,545 1.831,546 1.018,547 0.529,548 0.513,549 0.262,550 0.16,551 8384,552 26865,553 2.097,554 35.7,556 13,561 2,564 1.703,565 1.952,566 3.314,567 -0.769,573 71.635,574 1.706,575 3.734,576 4.565,577 5.136,578 5.184,579 5.184,580 2.742,581 4.385,582 4.728,583 3.44,584 1207.49,585 8.221,586 14994.2,591 226.477,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.049,598 0.042,599 0.027,600 0.016,601 0.017,602 0.01,603 0.007,604 0.422,605 0.33,606 1,607 0.76,608 131.955,609 -0.018,610 -0.074,611 0.035,612 0.004,613 0.005,614 0.013,615 -0.018,616 0.16,617 0.079,618 0.177,619 0.007,620 0.127,621 -0.002,622 -0.096,623 0.046,624 -0.059,625 0.03,626 -0.009,627 -0.205,628 -0.072,629 -0.168,630 -0.108,631 -0.181,632 -0.156,633 -0.044,634 -0.151,635 -0.273,636 -0.28,637 -0.008,638 -0.213,639 0.047,640 -0.007,641 0.199,642 0.112,643 0.013,644 0.127,645 0.052,646 -0.054,647 -0.119,648 -0.049,649 -0.106,650 -0.086,651 -0.072,652 -0.038,653 -0.025,654 -0.055,655 -0.109,656 -0.063,657 1.778,658 6.03,659 0.741,660 22.033,661 1.011,662 1.1,663 3.537,664 12.51,665 0.756,666 3.434,667 3.784,668 4.111,669 4.382,670 4.625,671 4.779,672 4.898,673 5.037,674 5.187,675 5.247,676 5.961,677 0.718,678 394.9,679 3.434,680 4.99,681 5.866,682 6.76,683 7.654,684 8.555,685 9.455,686 10.359,687 11.262,688 12.168,689 4.8,696 1,698 1,704 8,708 1,709 8,711 17,713 1,719 1,729 1,730 1,731 42,733 19,734 2,735 30,737 45,738 21,739 16,740 5,741 7,742 1,746 4,747 7,748 1,755 1,758 1,760 1,761 17,762 3,766 1,771 1,775 1,781 15,782 4,784 6,785 2,790 2,794 0.5,795 2,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,845 1,848 27,854 2,856 1,859 1,861 1,865 1,866 1,868 1,869 1,870 4.8,873 1,875 1,877 13.833,878 8.21,879 5.944,880 2.497,881 3.326,882 1.428,883 1.012,884 4.904,885 11.103,886 3.75,887 4.347,888 4.983,889 5.548,890 6.063,891 6.402,892 6.758,893 7.108,894 7.495,895 7.801,896 0.857,897 49,898 9.966,900 4.315,901 7.831,902 18.86,904 15.694,905 2.331,906 62.944,909 1,910 176.567,911 167.692,912 34.184,913 39.149,914 36.145,916 31.278,917 136.414,918 251.86,919 34.184,920 8.396,921 10.251,922 75.81,923 46.451,924 63.117,925 2.717,926 207.844,927 39.149,928 176.567,929 170.598,930 36.145,931 70.426,933 153.024,934 59.687,937 41.311,938 129.287,939 39.149,940 31.278,941 176.567,942 70.328,943 206.84,946 176.567,947 66.884,948 87.331,949 16.602,950 106.353,951 176.567,952 70.328,953 206.84,955 0.586,956 0.362,957 0.194,958 0.106,959 22,960 10,961 0.044,962 2,963 2,964 1.2,965 3.766,966 242.768,967 0.2,968 20,969 126.382,970 1,974 18.033,975 7.342,976 3.335,978 70.328,979 14.583,983 1.424,984 6.059,987 453.735,988 41.5,993 13.03,997 -0.111,999 42.444,1000 46.186,1001 0.316,1002 0.692,1003 0.847,1004 0.953,1005 0.961,1006 0.961,1007 5.006,1008 1.414,1009 5.866,1010 4.914,1011 4.466,1012 5.034,1013 2.613,1014 6.72,1015 4.355,1016 6.233,1017 1.189,1018 7.456,1019 3.211,1020 4.111,1021 4.844,1022 0.325,1023 7.698,1024 3.929,1025 7.554,1026 1.025,1027 9.147,1028 2.914,1029 6.103,1030 7.244,1031 3.687,1032 10.83,1033 5.898,1034 8.91,1035 0.813,1036 10.896,1037 2.504,1038 6.581,1039 7.895,1040 0.653,1041 12.622,1042 6.296,1043 10.298,1044 0.554,1045 12.682,1046 2.226,1047 8.037,1048 9.739,1049 5,1050 15.274,1051 7.731,1052 11.708,1053 0.444,1054 14.493,1055 1.112,1056 8.883,1057 10.773,1058 1.001,1059 17.396,1060 8.498,1061 13.135,1062 -0.058,1063 16.322,1064 0.865,1065 10.14,1066 12.388,1067 6.389,1068 19.881,1069 9.724,1070 3.228,1071 -0.286,1072 18.164,1073 -0.121,1074 11.152,1075 13.611,1076 1.37,1077 22.147,1078 10.662,1079 3.047,1080 11.101,1081 20.016,1082 -0.61,1083 12.334,1084 15.122,1085 7.801,1086 24.569,1087 11.805,1088 2.7,1089 10.368,1090 21.876,1091 4.28,1092 13.42,1093 16.442,1094 1.754,1095 26.9,1096 12.825,1097 2.404,1098 8.617,1099 23.743,1100 3.892,1101 14.577,1102 17.907,1103 9.219,1104 29.299,1105 13.935,1106 2.186,1107 7.504,1108 25.615,1109 3.731,1110 15.697,1111 19.278,1112 2.143,1113 31.66,1114 14.994,1115 1.79,1116 6.486,1117 27.491,1118 3.15,1119 16.846,1120 20.724,1121 10.638,1122 34.052,1123 16.094,1124 1.754,1125 5.074,1126 29.371,1127 2.892,1128 17.983,1129 22.123,1130 2.535,1131 36.428,1132 17.172,1133 8010,1134 14459,1135 19.997,1136 31.756,1137 47.023,1138 49.501,1139 47.511,1140 45.332,1141 45.097,1142 60.137,1143 8.775,1144 133.79,1145 42.386,1146 5.445,1147 6.058,1148 6.449,1149 5.327,1150 5.228,1151 7.28,1152 4.069,1153 18.509,1154 5.059,1155 13.078,1156 1.567,1157 1.65,1158 1.584,1159 1.511,1160 1.503,1161 2.005,1162 0.293,1163 4.46,1164 1.413,1165 4.059,1166 4.066,1167 4.292,1168 4.057,1169 7.428,1170 4.015,1171 3.911,1172 3.937,1173 4.004,1174 3.845,1175 6.82,1176 3.841,1177 3.757,1178 3.772,1179 3.818,1180 3.734,1181 4.937,1182 3.708,1183 3.468,1184 3.517,1185 3.4,1186 3.28,1187 4.854,1188 3.288,1189 3.289,1190 3.344,1191 3.315,1192 3.104,1193 4.461,1194 3.095,1195 3.136,1196 3.186,1197 3.252,1198 2.995,1199 4.345,1200 3.009,1201 2.915,1202 2.958,1203 3.104,1204 2.801,1205 4.267,1206 2.775,1207 2.879,1208 2.922,1209 2.784,1210 2.771,1211 4.026,1212 2.76,1213 0.152,1214 0.135,1215 0.225,1216 0.139,1217 0.108,1218 4.572,1219 0.143,1220 4.058,1221 0.068,1222 6.764,1223 0.37,1224 4.176,1225 0.102,1226 3.228,1227 4.28,1228 2.035,1229 11.101,1230 3.059,1231 1.913,1232 1.901,1233 1.981,1234 1.99,1235 1.162,1236 1.994,1237 1.891,1238 1.867,1239 1.976,1240 1.977,1241 1.092,1242 1.979,1243 1.663,1244 1.631,1245 1.84,1246 1.797,1247 1.074,1248 1.812,1249 1.485,1250 1.477,1251 1.65,1252 1.662,1253 0.739,1254 1.667,1255 1.226,1256 1.203,1257 1.419,1258 1.402,1259 0.574,1260 1.414,1261 1.189,1262 1.12,1263 1.224,1264 1.328,1265 0.498,1266 1.346,1267 0.973,1268 0.919,1269 1.162,1270 1.135,1271 0.188,1272 1.155,1273 0.869,1274 0.824,1275 1.126,1276 1.026,1277 0.168,1278 1.07,1279 4.111,1281 5.451,1282 2.398,1283 6.986,1284 4.844,1285 8.606,1286 7.034,1287 10.273,1289 1.722,1290 6.236,1295 1.252,1297 5.806,1300 1.566,1303 9.215,1304 2.163,1305 30.175,1306 71.635,1307 156.826,1308 191.722,1309 215.722,1310 217.722,1311 217.722,1312 46.809,1313 7.777,1314 53.33,1315 81.57,1316 24,1317 12.687,1318 4.322,1319 3.644,1320 40.103,1321 98,1322 92,1323 0.206,1324 191.48,1325 333.98,1326 458.97,1327 25608,1328 2.4,1329 18.966,1330 0.702,1331 0.596,1332 19.819,1333 16.103,1334 13.08,1335 0.436,1336 0.32,1337 8.425,1338 12.013,1339 8.094,1340 6.668,1341 13.777,1342 9.603,1343 11.741,1344 0.273,1345 0.178,1346 12.728,1347 7.661,1348 10.646,1349 0.177,1350 0.101,1351 11.879,1352 6.039,1353 8.688,1354 0.11,1355 0.058,1356 10.004,1357 4.589,1358 7.021,1359 0.07,1360 0.031,1361 8.132,1362 3.121,1363 0.318,1364 88.197,1365 0.224,1366 25.505,1367 0.586,1368 146,1369 439.825,1370 196.008,1371 480.613,1372 646.72,1373 448,1374 176,1375 434.274,1376 223.566,1377 468.821,1378 690.36,1379 441,1380 8.523}
{0 CHEMBL1950037,1 1.716,2 15.763,3 3.886,4 15.1,5 150.536,6 8.256,7 0.405,8 4.308,9 4.414,10 3.993,11 3.883,12 5.402,13 3.849,14 4.871,15 5.044,16 4.41,17 4.308,18 5.936,19 4.254,20 5.121,21 5.284,22 4.607,23 4.515,24 6.249,25 4.447,26 5.256,27 5.435,28 4.595,29 4.558,30 6.409,31 4.454,32 5.198,33 5.392,34 4.478,35 4.481,36 6.362,37 4.356,38 5.065,39 5.272,40 4.414,41 4.375,42 6.104,43 4.251,44 5.019,45 5.204,46 4.371,47 4.279,48 6.19,49 4.191,50 4.933,51 5.119,52 4.228,53 4.225,54 6.119,55 4.128,56 0.062,57 0.975,58 12.42,59 6.263,60 9.069,61 7.603,62 0.485,63 1.632,64 27.804,65 10.546,66 30.304,67 13.025,68 0.464,69 1.984,70 38.82,71 14.881,72 44.478,73 17.882,74 0.681,75 2.141,76 49.443,77 17.969,78 99.01,79 20.574,80 0.957,81 1.989,82 55.187,83 17.857,84 109.738,85 21.056,86 0.446,87 1.779,88 41.962,89 15.333,90 54.607,91 18.99,92 0.755,93 1.643,94 43.964,95 13.351,96 82.901,97 15.779,98 0.661,99 1.55,100 36.452,101 11.882,102 86.414,103 14.524,104 52,105 61,106 0.269,107 0.576,108 0.738,109 0.852,110 0.863,111 0.863,112 3.668,113 0.974,114 -3.87,115 -3.83,116 -3.64,119 41.8,121 1,124 3,125 5,142 7,143 4,144 3,152 2,158 3,172 9,174 2,175 7,178 1,180 1,183 12,186 1,187 16,192 2,195 10,199 10,204 1,207 8,211 2,212 11,215 1,217 1,220 8,223 2,224 5,232 8,236 2,237 8,242 3,245 7,249 2,250 4,255 1,258 8,262 1,263 5,271 7,275 2848,276 25.455,277 25.455,278 25.455,279 25.455,280 25.455,281 23.222,282 30.536,283 14.472,284 26.194,285 20.561,286 20.561,287 20.561,288 20.561,289 20.561,290 16.756,291 32.526,292 6.732,293 21.695,294 4.351,295 2.396,296 1.369,297 0.642,298 0.571,299 0.571,300 4.368,301 1,305 1,306 1304,307 4.301,310 75.396,311 361.91,312 106.276,315 154.739,316 175.832,318 2.46,319 45.547,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 82.333,331 599,332 4.573,333 3.745,334 6.764,335 4.181,336 3.231,337 4.278,338 1.2,339 11.09,340 3.069,341 4.409,342 3.692,343 6.626,344 4.056,345 3.096,346 4.015,347 1.2,348 10.432,349 2.973,350 4.235,351 3.56,352 6.393,353 3.912,354 2.939,355 3.817,356 1.058,357 9.676,358 2.851,359 4.091,360 3.268,361 6.099,362 3.766,363 2.789,364 3.426,365 0.86,366 8.865,367 2.718,368 3.885,369 3.12,370 5.956,371 3.528,372 2.568,373 3.24,374 0.8,375 8.245,376 2.433,377 3.632,378 2.765,379 5.652,380 3.339,381 2.391,382 2.915,383 0.293,384 7.305,385 2.265,386 3.447,387 2.738,388 5.301,389 3.209,390 2.25,391 2.531,392 0.293,393 6.568,394 2.138,395 3.106,396 2.218,397 4.963,398 2.85,399 1.913,400 2.187,402 5.674,403 1.784,404 3.021,405 2.183,406 4.808,407 2.731,408 1.811,409 2.147,411 4.969,412 1.649,413 2.933,414 2.151,415 4.72,416 2.523,417 1.641,418 2.054,420 4.745,421 1.419,422 2.865,423 1.883,424 4.116,425 2.424,426 1.44,427 1.935,428 3.532,429 1.375,430 2.695,431 1.883,432 4.091,433 2.221,434 1.261,435 1.733,436 3.296,437 1.175,438 2.426,439 1.74,440 3.877,441 2.014,442 1.041,443 1.383,445 2.681,446 1.003,447 2.34,448 1.184,449 3.691,450 1.967,451 1,452 1.158,454 2.275,455 0.965,456 2.131,457 1.157,458 3.414,459 1.878,460 0.857,461 1.051,463 2.219,464 0.861,465 18.481,466 0.486,467 1.083,468 0.028,469 46.75,470 1.23,471 21.5,472 0.566,473 25.25,474 0.664,475 38.703,476 1.018,477 40.919,478 0.611,479 40.991,480 1.079,481 9.228,482 0.243,483 9.033,484 0.238,485 0.174,487 0.39,493 0.692,494 1.367,495 0.651,496 0.989,497 0.524,498 0.927,499 0.879,500 0.818,501 0.72,502 0.666,503 0.549,504 0.7,505 0.951,506 1.061,507 0.874,508 1.038,509 0.79,510 0.963,511 1.301,512 1.062,513 1.093,514 1.077,515 1.498,516 1.035,517 0.911,518 0.974,519 1.309,520 1.208,521 1.029,522 1.069,523 0.755,524 1.051,525 0.786,526 0.982,527 0.862,528 0.998,529 1.334,530 1.037,531 1.301,532 1.048,533 1.367,534 0.984,535 1.144,536 0.983,537 1.223,538 1.012,539 1.13,540 1.064,541 8,542 0.271,543 5.778,544 3.444,545 2.684,546 1.65,547 1.049,548 0.883,549 0.56,550 0.383,551 23998,552 67115,553 2.066,554 43.3,556 26,559 1,561 2,564 1.785,565 1.9,566 3.895,567 -0.348,573 114.941,574 1.716,575 3.67,576 4.698,577 5.424,578 5.495,579 5.495,580 3.4,581 4.985,582 5.215,583 4.061,584 2854.73,585 9.172,586 47741.3,591 406.428,592 1.504,593 5.162,594 0.19,595 0.007,596 0.095,597 0.049,598 0.042,599 0.029,600 0.02,601 0.017,602 0.012,603 0.009,604 0.471,605 0.33,606 0.75,607 0.864,608 212.447,609 -0.033,610 -0.206,611 0.048,612 -0.038,613 -0.028,614 -0.005,615 -0.014,616 0.322,617 0.11,618 0.275,619 0.042,620 0.222,621 -0.027,622 -0.007,623 0.046,624 -0.032,625 0.037,626 -0.001,627 -0.171,628 -0.064,629 -0.049,630 -0.015,631 -0.158,632 -0.055,633 0.111,634 0.01,635 -0.094,636 -0.087,637 0.036,638 -0.05,639 0.058,640 -0.081,641 0.165,642 0.03,643 -0.007,644 0.017,645 -0.09,646 -0.049,647 -0.083,648 -0.024,649 -0.099,650 -0.016,651 -0.068,652 0.035,653 -0.156,654 -0.051,655 -0.007,656 -0.11,657 1.854,658 6.506,659 0.684,660 49.676,661 1.009,662 1.121,663 2.642,664 6.982,665 0.69,666 3.761,667 4.127,668 4.443,669 4.691,670 4.942,671 5.118,672 5.273,673 5.403,674 5.553,675 5.659,676 8.724,677 0.654,678 553.13,679 3.761,680 5.333,681 6.209,682 7.102,683 7.993,684 8.892,685 9.788,686 10.69,687 11.59,688 12.494,689 6,692 1,696 3,704 7,708 1,709 9,711 17,718 1,719 2,729 1,730 1,731 67,733 20,734 2,735 42,737 71,738 28,739 16,740 6,741 6,742 3,746 5,747 8,748 1,755 1,758 1,761 19,762 9,766 3,771 3,775 3,781 29,782 8,783 1,784 10,785 2,790 4,794 0.6,795 4,811 1,812 3,813 1,816 1,817 1,836 1,840 3,842 1,844 3,845 1,848 38,854 6,855 1,856 1,859 3,865 1,869 1,870 6,873 3,875 1,877 20,878 13.16,879 8.278,880 4,881 3.405,882 1.388,883 0.993,884 7.983,885 12.191,886 3.998,887 4.588,888 5.184,889 5.718,890 6.228,891 6.599,892 6.993,893 7.308,894 7.677,895 8.021,896 0.909,897 70,898 14.168,900 6.168,901 7.814,902 26.919,904 22.454,905 2.314,906 87.944,910 329.591,911 179.424,912 27.384,913 39.149,914 86.435,916 31.278,917 148.146,918 455.174,919 27.384,920 25.189,921 39.809,922 66.334,923 89.549,924 38.367,925 2.717,926 360.869,927 39.149,928 329.591,929 175.53,930 86.435,931 70.426,933 306.049,934 109.977,937 42.933,938 132.597,939 39.149,940 31.278,941 329.591,942 113.818,943 218.573,946 329.591,947 87.901,948 100.896,949 18.011,950 125.583,951 329.591,952 113.818,953 218.573,955 0.594,956 0.363,957 0.185,958 0.1,959 30,960 15,961 0.056,962 4,963 2,964 1.154,965 4.691,966 382.303,967 0.154,968 26,969 195.421,970 1,974 26.975,975 11.246,976 5.451,978 113.818,979 12.366,983 1.396,984 5.966,986 18.011,987 661.982,988 53.5,993 38.519,997 -0.423,999 67.603,1000 75.092,1001 0.283,1002 0.605,1003 0.774,1004 0.894,1005 0.906,1006 0.906,1007 5.274,1008 1.913,1009 6.221,1010 6.568,1011 4.812,1012 5.276,1013 2.437,1014 7.074,1015 4.713,1016 6.487,1017 1.811,1018 7.816,1019 5.674,1020 4.511,1021 5.173,1022 0.766,1023 8.05,1024 4.364,1025 7.808,1026 1.641,1027 9.509,1028 4.969,1029 6.46,1030 7.446,1031 2.496,1032 11.161,1033 6.28,1034 9.163,1035 1.44,1036 11.257,1037 4.745,1038 6.957,1039 8.155,1040 1.148,1041 12.926,1042 6.733,1043 10.55,1044 1.261,1045 13.038,1046 3.532,1047 8.391,1048 9.924,1049 2.659,1050 15.562,1051 8.135,1052 11.959,1053 1.041,1054 14.843,1055 3.296,1056 9.236,1057 10.992,1058 1.536,1059 17.654,1060 8.933,1061 13.384,1062 1,1063 16.664,1064 2.681,1065 10.479,1066 12.565,1067 2.867,1068 20.122,1069 10.141,1070 3.231,1071 0.857,1072 18.497,1073 2.275,1074 11.481,1075 13.805,1076 1.947,1077 22.361,1078 11.095,1079 3.096,1080 11.09,1081 20.34,1082 2.219,1083 12.652,1084 15.294,1085 3.105,1086 24.767,1087 12.227,1088 2.939,1089 10.432,1090 22.19,1091 4.278,1092 13.726,1093 16.621,1094 2.364,1095 27.076,1096 13.253,1097 2.789,1098 9.676,1099 24.046,1100 4.015,1101 14.872,1102 18.072,1103 3.367,1104 29.46,1105 14.356,1106 2.568,1107 8.865,1108 25.908,1109 3.817,1110 15.981,1111 19.445,1112 2.78,1113 31.803,1114 15.416,1115 2.391,1116 8.245,1117 27.774,1118 3.426,1119 17.12,1120 20.882,1121 3.646,1122 34.181,1123 16.51,1124 2.25,1125 7.305,1126 29.644,1127 3.24,1128 18.246,1129 22.28,1130 3.19,1131 36.543,1132 17.587,1133 22623,1134 38051,1135 27.57,1136 46.245,1137 64.565,1138 67.635,1139 67.548,1140 63.752,1141 63.476,1142 79.505,1143 11.408,1144 190.204,1145 60.102,1146 5.573,1147 5.745,1148 6.308,1149 5.332,1150 5.231,1151 7.278,1152 2.293,1153 18.529,1154 5.069,1155 22.454,1156 1.537,1157 1.61,1158 1.608,1159 1.518,1160 1.511,1161 1.893,1162 0.272,1163 4.529,1164 1.431,1165 4.071,1166 4.082,1167 4.293,1168 4.059,1169 7.432,1170 4.02,1171 3.959,1172 3.985,1173 4.034,1174 3.883,1175 7.427,1176 3.883,1177 3.818,1178 3.873,1179 3.841,1180 3.745,1181 7.425,1182 3.725,1183 3.767,1184 3.792,1185 3.724,1186 3.602,1187 4.916,1188 3.612,1189 3.511,1190 3.561,1191 3.438,1192 3.296,1193 4.856,1194 3.317,1195 3.41,1196 3.486,1197 3.395,1198 3.176,1199 4.46,1200 3.192,1201 3.331,1202 3.381,1203 3.314,1204 3.149,1205 4.378,1206 3.144,1207 3.226,1208 3.307,1209 3.256,1210 2.98,1211 4.31,1212 2.989,1213 0.109,1214 0.089,1215 0.161,1216 0.1,1217 0.077,1218 4.573,1219 0.102,1220 3.745,1221 0.029,1222 6.764,1223 0.264,1224 4.181,1225 0.073,1226 3.231,1227 4.278,1228 1.2,1229 11.09,1230 3.069,1231 1.922,1232 1.907,1233 2.013,1234 2.051,1235 1.288,1236 2.045,1237 1.916,1238 1.9,1239 1.984,1240 1.998,1241 1.168,1242 1.995,1243 1.753,1244 1.684,1245 1.938,1246 1.955,1247 1.109,1248 1.957,1249 1.664,1250 1.631,1251 1.84,1252 1.798,1253 1.091,1254 1.813,1255 1.5,1256 1.492,1257 1.677,1258 1.689,1259 0.825,1260 1.69,1261 1.394,1262 1.331,1263 1.65,1264 1.68,1265 0.752,1266 1.674,1267 1.243,1268 1.191,1269 1.546,1270 1.494,1271 0.69,1272 1.511,1273 1.164,1274 1.077,1275 1.513,1276 1.377,1277 0.646,1278 1.429,1279 4.443,1281 5.796,1282 2.398,1283 7.338,1284 4.844,1285 8.96,1286 7.034,1287 10.626,1289 5.316,1290 6.585,1295 4.133,1296 2.627,1297 5.918,1300 5.542,1305 43.808,1306 114.941,1307 245.867,1308 314.737,1309 363.408,1310 368.163,1311 368.163,1312 85.748,1313 8.785,1314 82.19,1315 110.43,1316 30,1317 13.014,1318 4.392,1319 3.644,1320 59.386,1321 199,1322 218,1323 0.144,1324 272.814,1325 482.3,1326 657.425,1327 95770,1328 1.5,1329 26.974,1330 0.71,1331 0.608,1332 27.828,1333 23.117,1334 18.261,1335 0.435,1336 0.325,1337 12.346,1338 16.812,1339 11.872,1340 9.788,1341 18.958,1342 13.634,1343 16.78,1344 0.275,1345 0.179,1346 17.767,1347 10.939,1348 15.088,1349 0.18,1350 0.101,1351 16.295,1352 8.517,1353 11.935,1354 0.111,1355 0.058,1356 13.312,1357 6.236,1358 9.627,1359 0.069,1360 0.031,1361 10.788,1362 4.297,1363 0.232,1364 121.917,1365 0.19,1366 34.695,1367 0.383,1368 206,1369 623.274,1370 265.294,1371 645.035,1372 865.91,1373 602,1374 248,1375 589.124,1376 305.602,1377 622.626,1378 922.16,1379 584,1380 8.301}
{0 CHEMBL1950038,1 1.716,2 15,3 3.886,4 15.1,5 150.536,6 8.256,7 0.405,8 4.308,9 4.414,10 3.993,11 3.883,12 5.402,13 3.849,14 4.871,15 5.044,16 4.41,17 4.308,18 5.936,19 4.254,20 5.121,21 5.284,22 4.607,23 4.515,24 6.25,25 4.447,26 5.256,27 5.434,28 4.578,29 4.554,30 6.404,31 4.451,32 5.197,33 5.391,34 4.467,35 4.491,36 6.331,37 4.372,38 5.098,39 5.293,40 4.489,41 4.399,42 6.217,43 4.295,44 5.091,45 5.284,46 4.442,47 4.33,48 6.323,49 4.252,50 5.004,51 5.184,52 4.346,53 4.349,54 6.078,55 4.237,56 0.062,57 0.975,58 12.42,59 6.263,60 9.069,61 7.603,62 0.485,63 1.632,64 27.804,65 10.546,66 30.304,67 13.025,68 0.464,69 1.984,70 38.82,71 14.881,72 44.849,73 17.882,74 0.687,75 2.146,76 49.962,77 17.969,78 99.988,79 20.589,80 0.9,81 2.029,82 52.48,83 17.712,84 95.206,85 20.956,86 0.472,87 1.847,88 42.932,89 15.366,90 63.484,91 18.89,92 0.993,93 1.804,94 42.591,95 13.394,96 121.355,97 15.915,98 0.448,99 1.699,100 39.732,101 13.768,102 51.535,103 16.769,104 52,105 61,106 0.269,107 0.576,108 0.738,109 0.852,110 0.863,111 0.863,112 3.668,113 0.974,114 -3.87,115 -3.83,116 -3.64,119 41.8,121 1,124 3,125 5,142 7,143 4,144 3,152 2,158 3,172 9,174 2,175 7,178 1,180 1,183 12,186 1,187 16,192 2,195 10,199 10,204 1,207 8,211 4,212 9,215 1,217 1,220 8,224 7,232 8,236 4,237 8,242 3,245 7,249 1,250 7,255 1,258 8,263 4,271 7,275 2812,276 25.455,277 25.455,278 25.455,279 25.455,280 25.455,281 23.222,282 30.536,283 14.478,284 26.194,285 20.561,286 20.561,287 20.561,288 20.561,289 20.561,290 16.756,291 32.526,292 6.742,293 21.703,294 4.351,295 2.396,296 1.369,297 0.642,298 0.571,299 0.571,300 4.368,301 1,305 1,306 1239,307 4.301,310 71.649,311 347.266,312 101.833,315 147.701,316 168.711,318 2.211,319 45.979,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 82.333,331 570,332 4.574,333 3.748,334 6.765,335 4.183,336 3.233,337 4.279,338 1.2,339 11.093,340 3.071,341 4.417,342 3.687,343 6.637,344 4.067,345 3.105,346 4.022,347 1.2,348 10.495,349 2.991,350 4.229,351 3.56,352 6.381,353 3.898,354 2.926,355 3.815,356 1.058,357 9.621,358 2.837,359 4.078,360 3.268,361 6.098,362 3.762,363 2.787,364 3.402,365 0.86,366 8.861,367 2.711,368 3.888,369 3.119,370 5.956,371 3.528,372 2.567,373 3.245,374 0.8,375 8.246,376 2.432,377 3.632,378 2.765,379 5.651,380 3.327,381 2.381,382 2.925,383 0.293,384 7.291,385 2.257,386 3.448,387 2.738,388 5.273,389 3.217,390 2.261,391 2.525,392 0.293,393 6.508,394 2.134,395 3.089,396 2.212,397 4.935,398 2.825,399 1.891,400 2.21,402 5.578,403 1.759,404 3.022,405 2.184,406 4.872,407 2.732,408 1.813,409 2.147,411 5.034,412 1.649,413 3.008,414 2.16,415 4.725,416 2.623,417 1.727,418 2.109,420 4.927,421 1.496,422 2.866,423 1.909,424 4.116,425 2.425,426 1.44,427 1.935,428 3.532,429 1.406,430 2.648,431 1.883,432 4.095,433 2.159,434 1.186,435 1.66,436 3.21,437 1.137,438 2.405,439 1.738,440 3.876,441 1.967,442 1,443 1.355,445 2.632,446 0.965,447 2.347,448 1.183,449 3.689,450 1.964,451 0.998,452 1.176,454 2.275,455 0.955,456 2.131,457 1.146,458 3.414,459 1.911,460 0.898,461 1.051,463 2.241,464 0.877,465 18.481,466 0.486,467 1.083,468 0.028,469 46.75,470 1.23,471 21.5,472 0.566,473 25.25,474 0.664,475 39.038,476 1.027,477 40.919,478 0.611,479 41.365,480 1.089,481 9.228,482 0.243,483 9.033,484 0.238,485 0.174,487 0.39,493 0.692,494 1.367,495 0.651,496 0.989,497 0.524,498 0.927,499 0.879,500 0.818,501 0.72,502 0.666,503 0.549,504 0.7,505 0.951,506 1.061,507 0.874,508 1.038,509 0.787,510 0.963,511 1.304,512 1.075,513 1.117,514 1.096,515 1.505,516 1.045,517 0.909,518 0.938,519 1.228,520 1.141,521 1.045,522 1.028,523 0.776,524 1.179,525 0.77,526 1.071,527 0.88,528 1.039,529 1.332,530 0.882,531 1.001,532 0.808,533 1.437,534 0.846,535 0.987,536 1.13,537 1.269,538 1.219,539 0.965,540 1.179,541 8,542 0.279,543 5.778,544 3.319,545 2.604,546 1.705,547 1.132,548 0.883,549 0.572,550 0.428,551 23038,552 64835,553 2.066,554 43.3,556 26,559 1,561 2,564 1.787,565 1.9,566 3.839,567 -0.348,573 114.941,574 1.716,575 3.67,576 4.698,577 5.424,578 5.495,579 5.495,580 3.357,581 4.932,582 5.217,583 3.985,584 2801.7,585 9.188,586 46089.3,591 406.428,592 1.504,593 5.162,594 0.19,595 0.007,596 0.095,597 0.047,598 0.041,599 0.029,600 0.02,601 0.016,602 0.011,603 0.01,604 0.466,605 0.33,606 0.75,607 0.864,608 211.077,609 -0.033,610 -0.206,611 0.048,612 -0.038,613 -0.028,614 -0.005,615 -0.014,616 0.322,617 0.11,618 0.275,619 0.042,620 0.222,621 -0.027,622 -0.007,623 0.046,624 -0.032,625 0.039,626 -0.001,627 -0.174,628 -0.077,629 -0.073,630 -0.035,631 -0.166,632 -0.066,633 0.087,634 0.063,635 -0.091,636 -0.035,637 -0.002,638 -0.018,639 0.086,640 -0.196,641 0.165,642 -0.071,643 0.055,644 -0.04,645 -0.031,646 0.137,647 0.026,648 0.16,649 -0.012,650 0.088,651 -0.093,652 -0.115,653 -0.149,654 -0.187,655 -0.086,656 -0.188,657 1.876,658 6.607,659 0.684,660 45.421,661 1.009,662 1.121,663 2.642,664 6.982,665 0.69,666 3.761,667 4.127,668 4.443,669 4.691,670 4.956,671 5.13,672 5.273,673 5.403,674 5.561,675 5.69,676 8.333,677 0.654,678 553.13,679 3.761,680 5.333,681 6.209,682 7.102,683 7.995,684 8.894,685 9.792,686 10.694,687 11.595,688 12.499,689 6,692 1,696 3,704 7,708 1,709 9,711 17,718 1,719 2,729 1,730 1,731 67,733 20,734 2,735 42,737 71,738 28,739 16,740 6,741 6,742 3,746 5,747 8,748 1,755 1,758 1,761 19,762 9,766 3,771 3,775 3,781 29,782 8,783 1,784 10,785 2,790 4,794 0.6,795 4,811 1,812 3,813 1,816 1,817 1,836 1,840 3,842 1,844 3,845 1,848 38,854 6,855 1,856 1,859 3,865 1,869 1,870 6,873 3,875 1,877 20,878 13.16,879 8.278,880 4,881 3.457,882 1.393,883 0.993,884 7.983,885 12.242,886 3.998,887 4.588,888 5.184,889 5.718,890 6.236,891 6.608,892 6.979,893 7.302,894 7.684,895 8.035,896 1,897 70,898 14.174,900 6.174,901 7.814,902 26.919,904 22.454,905 2.314,906 87.944,910 329.591,911 179.424,912 27.384,913 39.149,914 86.435,916 31.278,917 148.146,918 455.174,919 27.384,920 25.189,921 39.809,922 66.334,923 89.549,924 38.367,925 2.717,926 360.869,927 39.149,928 329.591,929 175.53,930 86.435,931 70.426,933 306.049,934 109.977,937 42.933,938 132.597,939 39.149,940 31.278,941 329.591,942 113.818,943 218.573,946 329.591,947 87.901,948 100.896,949 18.011,950 125.583,951 329.591,952 113.818,953 218.573,955 0.594,956 0.362,957 0.184,958 0.102,959 30,960 15,961 0.056,962 4,963 2,964 1.154,965 4.645,966 386.112,967 0.154,968 26,969 193.421,970 1,974 26.975,975 11.246,976 5.451,978 113.818,979 12.335,983 1.387,984 5.913,986 18.011,987 661.982,988 53.5,993 38.812,997 -0.458,999 67.603,1000 75.092,1001 0.283,1002 0.605,1003 0.774,1004 0.894,1005 0.906,1006 0.906,1007 5.274,1008 1.891,1009 6.221,1010 6.508,1011 4.812,1012 5.276,1013 2.437,1014 7.074,1015 4.713,1016 6.487,1017 1.813,1018 7.816,1019 5.578,1020 4.511,1021 5.173,1022 0.766,1023 8.05,1024 4.364,1025 7.808,1026 1.727,1027 9.509,1028 5.034,1029 6.46,1030 7.446,1031 2.496,1032 11.162,1033 6.28,1034 9.163,1035 1.44,1036 11.257,1037 4.927,1038 6.957,1039 8.155,1040 1.148,1041 12.928,1042 6.733,1043 10.55,1044 1.186,1045 13.038,1046 3.532,1047 8.391,1048 9.924,1049 2.659,1050 15.565,1051 8.135,1052 11.959,1053 1,1054 14.843,1055 3.21,1056 9.236,1057 10.992,1058 1.536,1059 17.659,1060 8.935,1061 13.384,1062 0.998,1063 16.664,1064 2.632,1065 10.479,1066 12.565,1067 2.867,1068 20.129,1069 10.144,1070 3.233,1071 0.898,1072 18.497,1073 2.275,1074 11.482,1075 13.806,1076 1.947,1077 22.37,1078 11.1,1079 3.105,1080 11.093,1081 20.34,1082 2.241,1083 12.653,1084 15.295,1085 3.105,1086 24.778,1087 12.233,1088 2.926,1089 10.495,1090 22.191,1091 4.279,1092 13.729,1093 16.622,1094 2.364,1095 27.089,1096 13.261,1097 2.787,1098 9.621,1099 24.048,1100 4.022,1101 14.875,1102 18.075,1103 3.367,1104 29.474,1105 14.367,1106 2.567,1107 8.861,1108 25.91,1109 3.815,1110 15.985,1111 19.448,1112 2.78,1113 31.819,1114 15.429,1115 2.381,1116 8.246,1117 27.777,1118 3.402,1119 17.126,1120 20.885,1121 3.646,1122 34.199,1123 16.525,1124 2.261,1125 7.291,1126 29.647,1127 3.245,1128 18.253,1129 22.284,1130 3.19,1131 36.563,1132 17.604,1133 21771,1134 36737,1135 27.57,1136 46.245,1137 64.506,1138 67.801,1139 67.544,1140 63.704,1141 63.429,1142 79.45,1143 11.408,1144 190.118,1145 60.075,1146 5.574,1147 5.748,1148 6.309,1149 5.335,1150 5.233,1151 7.279,1152 2.293,1153 18.518,1154 5.071,1155 22.333,1156 1.536,1157 1.614,1158 1.608,1159 1.517,1160 1.51,1161 1.892,1162 0.272,1163 4.527,1164 1.43,1165 4.071,1166 4.082,1167 4.293,1168 4.059,1169 7.432,1170 4.02,1171 3.96,1172 3.986,1173 4.031,1174 3.883,1175 7.427,1176 3.883,1177 3.816,1178 3.872,1179 3.841,1180 3.745,1181 7.425,1182 3.724,1183 3.767,1184 3.792,1185 3.73,1186 3.602,1187 4.92,1188 3.612,1189 3.507,1190 3.557,1191 3.435,1192 3.291,1193 4.856,1194 3.31,1195 3.407,1196 3.483,1197 3.42,1198 3.176,1199 4.46,1200 3.19,1201 3.328,1202 3.381,1203 3.303,1204 3.138,1205 4.379,1206 3.138,1207 3.251,1208 3.322,1209 3.256,1210 3.033,1211 4.309,1212 3.038,1213 0.109,1214 0.089,1215 0.161,1216 0.1,1217 0.077,1218 4.574,1219 0.102,1220 3.748,1221 0.029,1222 6.765,1223 0.264,1224 4.183,1225 0.073,1226 3.233,1227 4.279,1228 1.2,1229 11.093,1230 3.071,1231 1.923,1232 1.907,1233 2.014,1234 2.052,1235 1.288,1236 2.045,1237 1.916,1238 1.9,1239 1.984,1240 1.998,1241 1.168,1242 1.995,1243 1.752,1244 1.682,1245 1.937,1246 1.954,1247 1.11,1248 1.955,1249 1.664,1250 1.632,1251 1.84,1252 1.798,1253 1.091,1254 1.812,1255 1.498,1256 1.49,1257 1.677,1258 1.689,1259 0.825,1260 1.69,1261 1.394,1262 1.33,1263 1.65,1264 1.675,1265 0.748,1266 1.671,1267 1.238,1268 1.182,1269 1.548,1270 1.501,1271 0.69,1272 1.516,1273 1.178,1274 1.098,1275 1.513,1276 1.377,1277 0.648,1278 1.429,1279 4.443,1281 5.796,1282 2.398,1283 7.338,1284 4.844,1285 8.96,1286 7.034,1287 10.626,1289 5.302,1290 6.503,1295 4.073,1296 2.627,1297 5.924,1300 5.526,1305 43.808,1306 114.941,1307 245.867,1308 314.737,1309 363.408,1310 368.163,1311 368.163,1312 86.279,1313 8.785,1314 82.19,1315 110.43,1316 30,1317 13.019,1318 4.392,1319 3.644,1320 59.207,1321 190,1322 206,1323 0.151,1324 272.814,1325 482.3,1326 657.425,1327 95770,1328 1.5,1329 26.974,1330 0.71,1331 0.608,1332 27.828,1333 23.117,1334 18.261,1335 0.435,1336 0.325,1337 12.346,1338 16.812,1339 11.872,1340 9.788,1341 18.958,1342 13.634,1343 16.78,1344 0.275,1345 0.179,1346 17.767,1347 10.939,1348 15.111,1349 0.18,1350 0.102,1351 16.344,1352 8.532,1353 11.816,1354 0.109,1355 0.057,1356 13.11,1357 6.164,1358 9.735,1359 0.069,1360 0.031,1361 10.875,1362 4.359,1363 0.24,1364 121.917,1365 0.19,1366 34.443,1367 0.407,1368 206,1369 623.274,1370 265.294,1371 645.035,1372 865.91,1373 602,1374 248,1375 589.124,1376 305.602,1377 622.626,1378 922.14,1379 584,1380 7.319}
{0 CHEMBL1955886,1 1.809,2 9.36,3 2.755,4 7.587,5 96.985,6 9.25,7 0.214,8 3.857,9 3.96,10 3.613,11 3.395,12 4.956,13 3.397,14 4.422,15 4.58,16 4.027,17 3.81,18 5.54,19 3.793,20 4.639,21 4.821,22 4.21,23 3.986,24 5.726,25 3.92,26 4.659,27 4.863,28 3.989,29 3.922,30 5.747,31 3.829,32 4.58,33 4.799,34 3.88,35 3.803,36 5.612,37 3.726,38 4.5,39 4.682,40 3.959,41 3.769,42 5.656,43 3.734,44 4.444,45 4.609,46 3.878,47 3.738,48 5.646,49 3.658,50 4.375,51 4.602,52 3.704,53 3.537,54 5.494,55 3.428,56 0.097,57 0.624,58 5.547,59 3.359,60 6.545,61 3.941,62 0.466,63 1.02,64 14.279,65 5.755,66 24.855,67 6.709,68 0.546,69 1.166,70 25.795,71 8.129,72 33.899,73 9.715,74 0.599,75 1.157,76 27.429,77 8.674,78 41.772,79 10.967,80 0.525,81 1.047,82 26.724,83 8.057,84 45.978,85 10.299,86 0.564,87 0.983,88 19.767,89 6.246,90 45.951,91 6.871,92 0.597,93 0.889,94 19.862,95 6.616,96 45.388,97 7.674,98 0.472,99 0.762,100 23.259,101 7.084,102 45.803,103 9.067,104 10,105 40,106 0.319,107 0.672,108 0.812,109 0.85,110 0.85,111 0.85,112 3.268,113 0.935,114 -4.39,115 -4.32,116 -4.08,119 41.5,125 5,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 5,183 4,186 1,187 1,195 6,198 5,199 4,207 3,211 1,212 4,220 1,224 5,232 2,236 3,237 5,245 2,250 6,263 7,275 886,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.517,282 23.05,283 9.922,284 17.718,285 13.805,286 13.805,287 13.805,288 13.805,289 13.805,290 11.456,291 29.629,292 4.706,293 15.094,294 3.548,295 1.548,296 0.75,297 0.537,298 0.537,299 0.537,300 3.965,301 2,303 1,304 1,305 1,306 511,307 2.345,310 51.289,311 209.364,314 93.076,318 1.494,319 25.322,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.667,331 234,332 4.467,333 3.812,334 6.727,335 4.138,336 3.208,337 3.988,338 1.744,339 10.959,340 2.979,341 4.31,342 3.44,343 6.342,344 3.86,345 2.946,346 3.808,347 1,348 9.455,349 2.667,350 3.907,351 3.154,352 6.101,353 3.643,354 2.731,355 3.079,356 0.946,357 8.898,358 2.485,359 3.56,360 3.106,361 5.622,362 3.25,363 2.312,364 2.705,365 0.86,366 7.244,367 2.148,368 3.275,369 2.487,370 5.02,371 2.832,372 1.907,373 2.508,374 0.594,375 5.591,376 1.69,377 3.053,378 2.375,379 4.537,380 2.736,381 1.819,382 2.066,383 0.264,384 4.672,385 1.658,386 2.867,387 2.014,388 4.423,389 2.36,390 1.414,391 2.029,392 0.149,393 3.926,394 1.286,395 2.775,396 1.753,397 3.869,398 2.269,399 1.335,400 1.705,402 3.179,403 1.23,404 2.457,405 1.73,406 3.754,407 2.135,408 1.235,409 1.386,411 2.934,412 1.101,413 2.209,414 1.36,415 3.447,416 1.952,417 1,418 1.103,420 2.23,421 0.946,422 2,423 1.256,424 3.247,425 1.831,426 0.896,427 1,428 2.136,429 0.829,430 1.584,431 1.149,432 3.057,433 1.163,434 0.36,435 0.395,436 0.862,437 0.235,438 1.395,439 0.554,440 2.696,441 0.772,442 -0.119,443 -0.152,445 -0.289,446 -0.094,447 1.049,448 0.181,449 2.519,450 0.602,451 -0.335,452 -0.463,454 -0.843,455 -0.306,456 0.724,457 -0.129,458 2.359,459 0.404,460 -0.54,461 -0.64,463 -1.335,464 -0.484,465 12.195,466 0.488,467 0.627,468 0.025,469 29.5,470 1.18,471 11.5,472 0.46,473 18,474 0.72,475 21.759,476 0.87,477 26.805,478 0.654,479 21.499,480 0.86,481 6.073,482 0.243,483 6.058,484 0.242,485 0.144,487 0.344,493 0.737,494 1.633,495 0.513,496 1.017,497 0.531,498 0.892,499 0.963,500 0.972,501 0.651,502 0.69,503 0.586,504 0.763,505 0.949,506 1.092,507 0.764,508 0.848,509 0.703,510 0.909,511 0.78,512 0.987,513 1.03,514 1.095,515 0.975,516 1.115,517 0.86,518 1.055,519 0.874,520 0.97,521 1.043,522 0.935,523 1.469,524 0.914,525 0.905,526 0.735,527 1.763,528 0.83,529 1.097,530 1.034,531 1.137,532 1.084,533 1.432,534 1.166,535 0.743,536 1.021,537 0.865,538 1.117,539 0.833,540 1.043,541 4.5,542 0.066,543 3.333,544 1.694,545 1.449,546 0.847,547 0.529,548 0.369,549 0.232,550 0.12,551 7007,552 23256,553 2.13,554 39,556 14,557 2,564 1.683,565 2,566 3.231,567 -0.672,568 1,569 1,573 74.173,574 1.809,575 3.809,576 4.607,577 4.821,578 4.821,579 4.821,580 2.695,581 4.324,582 4.617,583 3.365,584 1009.39,585 7.999,586 11942.9,587 1,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.161,595 0.006,596 0.083,597 0.041,598 0.041,599 0.026,600 0.016,601 0.013,602 0.011,603 0.007,604 0.404,605 0.5,606 1,607 0.553,608 119.1,609 -0.057,610 -0.441,611 0.024,612 -0.161,613 -0.02,614 -0.062,615 -0.032,616 0.18,617 0.015,618 0.165,619 0.048,620 0.08,621 -0.064,622 -0.051,623 0.098,624 0.09,625 0.04,626 0.029,627 0.058,628 0.022,629 -0.105,630 -0.14,631 -0.029,632 -0.141,633 -0.002,634 -0.087,635 0.018,636 -0.009,637 -0.071,638 0.066,639 -0.33,640 0.15,641 -0.077,642 0.159,643 -0.282,644 0.048,645 -0.015,646 -0.021,647 -0.186,648 -0.13,649 -0.092,650 -0.247,651 0.181,652 -0.145,653 0.15,654 -0.099,655 0.197,656 0.017,657 1.963,658 5.362,659 0.84,660 20.138,661 1.022,662 1.127,663 3.159,664 9.981,665 0.707,666 3.367,667 3.714,668 4.025,669 4.29,670 4.522,671 4.625,672 4.787,673 4.934,674 5.011,675 5.056,676 5.688,677 0.679,678 379.27,679 3.367,680 4.92,681 5.79,682 6.678,683 7.565,684 8.46,685 9.353,686 10.252,687 11.15,688 12.051,689 9.8,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 28,737 44,738 17,739 6,740 3,741 3,742 4,746 4,747 5,748 2,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 16,782 6,784 8,785 2,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,845 2,848 25,854 5,856 1,859 3,869 2,870 4.9,873 1,874 1,877 12.5,878 7.419,879 5.417,880 2.43,881 2.198,882 1.292,883 1.002,884 4.733,885 9.719,886 3.584,887 4.119,888 4.652,889 5.147,890 5.587,891 5.813,892 6.088,893 6.416,894 6.691,895 6.912,896 1,897 41,898 9.235,900 3.994,901 7.789,902 17.57,904 14.604,905 2.289,906 57.222,909 1,910 188.338,911 90.62,912 26.158,913 78.297,914 36.145,917 90.62,918 302.78,919 26.158,921 36.721,922 37.905,923 38.473,924 35.549,925 27.818,926 164.795,927 78.297,928 188.338,929 116.779,930 36.145,931 78.297,933 188.338,934 25.145,935 11,937 41.66,938 65.642,939 87.774,941 188.338,942 62.303,943 168.917,946 188.338,947 34.62,948 65.373,950 131.228,951 188.338,952 62.303,953 168.917,955 0.588,956 0.354,957 0.188,958 0.1,959 21,960 9,961 0.068,962 3,963 1,964 1.095,965 3.681,966 216.155,967 0.095,968 21,969 112.096,974 16.91,975 6.997,976 3.292,978 62.303,979 5.543,984 1.939,987 419.558,988 35,993 12.362,995 5.482,996 4.194,997 1.137,999 41.894,1000 46.206,1001 0.338,1002 0.711,1003 0.86,1004 0.9,1005 0.9,1006 0.9,1007 4.856,1008 1.335,1009 5.784,1010 3.926,1011 4.394,1012 4.804,1013 2.47,1014 6.621,1015 4.223,1016 6.046,1017 1.235,1018 7.362,1019 3.179,1020 4.007,1021 4.559,1022 1.494,1023 7.561,1024 3.701,1025 7.351,1026 1,1027 9.042,1028 2.934,1029 6.014,1030 6.881,1031 2.87,1032 10.686,1033 5.686,1034 8.689,1035 0.896,1036 10.781,1037 2.23,1038 6.463,1039 7.46,1040 2.628,1041 12.447,1042 5.997,1043 10.062,1044 0.36,1045 12.557,1046 2.136,1047 7.935,1048 9.261,1049 3.64,1050 15.08,1051 7.444,1052 11.458,1053 -0.119,1054 14.357,1055 0.862,1056 8.76,1057 10.226,1058 3.78,1059 17.176,1060 8.146,1061 12.871,1062 -0.335,1063 16.176,1064 -0.289,1065 10.023,1066 11.806,1067 4.599,1068 19.637,1069 9.366,1070 3.208,1071 -0.54,1072 18.007,1073 -0.843,1074 11.017,1075 12.963,1076 4.932,1077 21.88,1078 10.257,1079 2.946,1080 10.959,1081 19.848,1082 -1.335,1083 12.199,1084 14.439,1085 5.64,1086 24.279,1087 11.382,1088 2.731,1089 9.455,1090 21.696,1091 3.988,1092 13.271,1093 15.694,1094 6.074,1095 26.591,1096 12.364,1097 2.312,1098 8.898,1099 23.55,1100 3.808,1101 14.423,1102 17.118,1103 6.718,1104 28.97,1105 13.452,1106 1.907,1107 7.244,1108 25.409,1109 3.079,1110 15.531,1111 18.425,1112 7.205,1113 31.315,1114 14.478,1115 1.819,1116 5.591,1117 27.273,1118 2.705,1119 16.674,1120 19.824,1121 7.813,1122 33.691,1123 15.553,1124 1.414,1125 4.672,1126 29.14,1127 2.508,1128 17.801,1129 21.158,1130 8.329,1131 36.054,1132 16.603,1133 6641,1134 12228,1135 18.898,1136 28.977,1137 43.218,1138 44.475,1139 43.718,1140 42.481,1141 42.33,1142 51.544,1143 11.115,1144 124.171,1145 38.51,1146 5.467,1147 5.812,1148 6.529,1149 5.241,1150 5.208,1151 6.988,1152 3.073,1153 18.147,1154 4.979,1155 10.803,1156 1.543,1157 1.588,1158 1.561,1159 1.517,1160 1.512,1161 1.841,1162 0.397,1163 4.435,1164 1.375,1165 4.006,1166 4.049,1167 4.128,1168 3.904,1169 7.432,1170 3.902,1171 3.875,1172 3.901,1173 3.919,1174 3.742,1175 5.037,1176 3.764,1177 3.725,1178 3.78,1179 3.627,1180 3.509,1181 4.763,1182 3.527,1183 3.35,1184 3.4,1185 3.427,1186 3.151,1187 4.594,1188 3.169,1189 3.114,1190 3.206,1191 3.314,1192 2.981,1193 4.487,1194 2.971,1195 3.111,1196 3.171,1197 3.214,1198 2.941,1199 4.337,1200 2.91,1201 2.949,1202 2.965,1203 2.985,1204 2.837,1205 4.253,1206 2.806,1207 2.899,1208 2.917,1209 2.866,1210 2.723,1211 3.683,1212 2.767,1213 0.16,1214 0.136,1215 0.24,1216 0.148,1217 0.115,1218 4.467,1219 0.142,1220 3.812,1221 0.062,1222 6.727,1223 0.391,1224 4.138,1225 0.106,1226 3.208,1227 3.988,1228 1.744,1229 10.959,1230 2.979,1231 1.903,1232 1.885,1233 1.976,1234 2.015,1235 1.206,1236 2.001,1237 1.774,1238 1.724,1239 1.933,1240 1.962,1241 1.164,1242 1.968,1243 1.563,1244 1.515,1245 1.691,1246 1.799,1247 0.825,1248 1.768,1249 1.461,1250 1.406,1251 1.629,1252 1.649,1253 0.82,1254 1.649,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.709,1260 1.429,1261 1.084,1262 1.027,1263 1.334,1264 1.281,1265 0.47,1266 1.298,1267 0.847,1268 0.827,1269 1.062,1270 1.084,1271 0.233,1272 1.074,1273 0.777,1274 0.752,1275 0.957,1276 1.04,1277 0.082,1278 0.996,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.727,1285 8.547,1286 6.843,1287 10.221,1290 12.397,1295 3.245,1297 5.366,1300 5.557,1305 27.858,1306 74.173,1307 156.176,1308 188.905,1309 197.66,1310 197.66,1311 197.66,1312 36.986,1313 7.521,1314 51.77,1315 51.77,1316 23,1317 12.573,1318 3.459,1319 3,1320 35.797,1321 84,1322 82,1323 0.208,1324 175.61,1325 315.84,1326 420.249,1327 18379,1328 4.9,1329 17.389,1330 0.696,1331 0.595,1332 18.389,1333 14.873,1334 12.131,1335 0.433,1336 0.312,1337 7.887,1338 11.021,1339 7.706,1340 6.267,1341 12.708,1342 8.73,1343 11.035,1344 0.276,1345 0.166,1346 11.739,1347 6.649,1348 9.804,1349 0.178,1350 0.094,1351 10.815,1352 5.177,1353 8.053,1354 0.112,1355 0.047,1356 8.526,1357 3.374,1358 6.447,1359 0.071,1360 0.024,1361 6.798,1362 2.217,1363 0.32,1364 82.81,1365 0.23,1366 23.941,1367 0.593,1368 136,1369 434.458,1370 182.039,1371 471.181,1372 624.03,1373 440,1374 163,1375 412.674,1376 208.295,1377 432.893,1378 643.54,1379 407,1380 5.398}
{0 CHEMBL1957505,1 1.592,2 11.909,3 1.799,4 3.237,5 126.955,6 7.354,7 0.541,8 4.23,9 4.366,10 3.797,11 3.683,12 5.288,13 3.685,14 4.796,15 4.997,16 4.147,17 4.085,18 5.8,19 4.071,20 4.989,21 5.207,22 4.182,23 4.234,24 5.991,25 4.17,26 5.075,27 5.329,28 4.184,29 4.228,30 6.025,31 4.159,32 5.008,33 5.25,34 4.181,35 4.185,36 6.007,37 4.139,38 5.012,39 5.235,40 4.213,41 4.226,42 6.064,43 4.176,44 4.988,45 5.2,46 4.188,47 4.24,48 5.986,49 4.177,50 5.045,51 5.263,52 4.11,53 4.181,54 6.111,55 4.119,56 0.07,57 0.991,58 13.111,59 4.782,60 9.132,61 6.933,62 0.438,63 1.543,64 26.206,65 7.478,66 28.003,67 11.409,68 0.552,69 1.766,70 32.375,71 10.586,72 45.587,73 15.627,74 0.493,75 1.83,76 36.737,77 10.763,78 47.928,79 17.023,80 0.528,81 1.764,82 33.912,83 9.174,84 49.658,85 14.672,86 0.761,87 1.78,88 33.653,89 9.72,90 56.302,91 14.787,92 0.306,93 1.742,94 31.705,95 11.075,96 31.323,97 16.114,98 0.597,99 1.705,100 35.348,101 10.378,102 67.944,103 15.14,104 16,105 52,106 0.255,107 0.617,108 0.781,109 0.83,110 0.835,111 0.835,112 3.532,113 0.906,114 -2.69,115 -2.7,116 -2.63,119 37.7,121 1,124 2,125 6,142 3,143 2,145 1,146 2,147 1,151 2,152 1,158 1,161 1,168 1,172 4,174 2,175 3,178 1,180 3,183 4,186 6,187 5,190 1,192 2,195 2,198 1,199 7,202 2,204 1,211 2,212 6,215 1,223 6,224 5,227 3,236 2,237 4,240 1,242 1,249 2,250 7,253 1,255 2,262 1,263 2,266 1,268 1,271 1,275 1924,276 22.637,277 22.637,278 22.637,279 22.637,280 22.637,281 20.374,282 21.329,283 13.524,284 23.314,285 18.329,286 18.329,287 18.329,288 18.329,289 18.329,290 14.705,291 28.571,292 6.477,293 19.389,294 4.338,295 2.077,296 1.054,297 0.746,298 0.713,299 0.713,300 4.241,304 1,305 1,306 866,307 3.808,310 141.941,311 264.33,314 261.278,318 1.923,319 27.965,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 72,331 393,332 4.679,333 3.575,334 6.8,335 4.21,336 3.261,337 4.626,338 1.058,339 11.27,340 3.125,341 4.516,342 3.303,343 6.64,344 4.04,345 3.069,346 4.449,347 0.86,348 10.658,349 2.952,350 4.039,351 3.09,352 6.066,353 3.705,354 2.742,355 3.495,356 0.8,357 8.763,358 2.64,359 3.778,360 2.734,361 5.765,362 3.414,363 2.463,364 3.189,365 0.8,366 7.814,367 2.341,368 3.617,369 2.577,370 5.63,371 3.242,372 2.292,373 2.898,375 7.256,376 2.159,377 3.23,378 2.392,379 4.709,380 3.14,381 2.219,382 2.325,384 5.184,385 2.042,386 3.051,387 2.246,388 4.66,389 2.693,390 1.784,391 2.281,393 4.838,394 1.618,395 3.029,396 1.72,397 4.634,398 2.541,399 1.58,400 2.227,402 4.614,403 1.531,404 3.013,405 1.66,406 4.163,407 2.524,408 1.547,409 2.097,411 3.709,412 1.496,413 2.713,414 1.551,415 4.045,416 2.4,417 1.446,418 1.745,420 3.525,421 1.374,422 2.5,423 1.545,424 3.764,425 2.113,426 1.241,427 1.5,428 2.96,429 1.076,430 2.401,431 1.413,432 3.427,433 2.014,434 1.027,435 1.388,436 2.378,437 1.003,438 2.319,439 1.256,440 3.392,441 1.97,442 1,443 1.243,445 2.232,446 0.968,447 2.029,448 1,449 3.342,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.756,458 3.247,459 1.557,460 0.624,461 0.858,463 1.755,464 0.58,465 15.367,466 0.466,467 0.747,468 0.023,469 41.5,470 1.258,471 18,472 0.545,473 23.5,474 0.712,475 29.227,476 0.886,477 36.233,478 0.594,479 33.733,480 1.022,481 8.305,482 0.252,483 7.792,484 0.236,485 0.087,487 0.338,493 0.847,494 1.62,495 0.78,496 1.252,497 0.608,498 1.036,499 1.226,500 1.07,501 0.914,502 0.824,503 0.7,504 0.807,505 0.881,506 1.029,507 0.964,508 1.031,509 0.822,510 1.02,511 0.842,512 1.11,513 0.824,514 0.942,515 1.061,516 0.885,517 1.066,518 1.046,519 0.928,520 0.872,521 1.074,522 0.86,523 1.014,524 0.869,525 1.026,526 0.882,527 1.25,528 0.937,529 0.845,530 1.181,531 0.924,532 1.219,533 0.909,534 1.105,535 1.549,536 1.096,537 1.184,538 1.098,539 2.261,540 1.099,541 5.5,542 0.131,543 3.556,544 1.944,545 1.564,546 1.122,547 0.894,548 0.572,549 0.318,550 0.271,551 15203,552 37172,553 2.15,554 45.9,556 21,557 2,558 1,559 2,562 2,564 1.758,565 2.041,566 3.489,567 0.252,569 1,573 97.127,574 1.592,575 3.854,576 4.877,577 5.185,578 5.217,579 5.217,580 2.974,581 4.597,582 5.005,583 3.713,584 1960.32,585 8.805,586 28809,588 1,591 361.775,592 1.301,593 4.989,594 0.149,595 0.005,596 0.068,597 0.037,598 0.03,599 0.022,600 0.017,601 0.011,602 0.007,603 0.008,604 0.353,605 0.33,606 0.88,607 1.385,608 173.689,609 -0.009,610 -0.336,611 0.082,612 -0.153,613 -0.001,614 -0.041,615 -0.123,616 0.077,617 0.042,618 0.158,619 0.027,620 0.134,621 0.069,622 0.041,623 -0.016,624 -0.009,625 0.065,626 -0.032,627 0.036,628 -0.114,629 0.151,630 0.041,631 -0.009,632 0.104,633 -0.074,634 0.012,635 0.051,636 0.078,637 -0.038,638 0.09,639 0.086,640 0.222,641 -0.054,642 0.083,643 -0.024,644 0.007,645 0.031,646 -0.12,647 0.008,648 -0.162,649 0.044,650 -0.09,651 -0.218,652 -0.087,653 -0.185,654 -0.115,655 -0.273,656 -0.146,657 1.844,658 5.775,659 0.727,660 38.088,661 1.005,662 1.14,663 1.457,664 2.123,665 0.649,666 3.638,667 3.97,668 4.277,669 4.595,670 4.852,671 5.037,672 5.283,673 5.493,674 5.62,675 5.768,676 7.12,677 0.621,678 448.59,679 3.638,680 5.187,681 6.052,682 6.944,683 7.834,684 8.738,685 9.641,686 10.553,687 11.465,688 12.381,689 13.1,692 1,695 1,696 1,697 2,699 3,703 3,704 6,705 3,706 1,709 4,711 20,718 1,726 1,731 61,733 21,734 1,735 37,737 65,738 23,739 13,740 3,741 3,742 1,746 5,747 7,758 1,761 14,762 9,766 1,771 1,775 1,778 1,781 28,782 8,783 2,784 10,787 1,790 8,794 0.6,795 2,802 1,803 1,811 2,812 3,815 2,836 1,839 1,840 3,844 2,848 33,854 7,855 1,856 1,859 2,870 3.3,873 1,874 1,877 16.167,878 11.533,879 7.194,880 3.66,881 3.968,882 1.478,883 1.009,884 6.378,885 12.268,886 3.892,887 4.516,888 5.183,889 5.861,890 6.438,891 6.939,892 7.479,893 8.009,894 8.379,895 8.841,896 0.875,897 52,898 12.219,900 5.202,901 7.631,902 23.6,904 19.457,905 2.131,906 70.333,910 306.049,911 114.67,912 92.443,914 36.145,917 114.67,918 342.193,919 92.443,920 16.793,921 38.153,922 46.524,923 104.57,924 44.518,925 28.014,926 270.735,928 306.049,929 207.113,930 36.145,933 282.506,934 48.687,935 11,937 75.503,938 81.376,939 50.234,941 306.049,942 128.588,943 114.67,946 306.049,947 42.306,948 79.899,949 34.674,950 86.379,951 306.049,952 128.588,953 114.67,955 0.578,956 0.333,957 0.185,958 0.101,959 26,960 11,961 0.108,962 7,963 2,964 1.167,965 4.385,966 320.027,967 0.167,968 24,969 160.465,974 21.985,975 9.574,976 4.633,977 2.612,978 110.638,979 11.522,980 13.847,981 3.015,984 2.908,986 34.674,987 549.306,988 48,993 12.775,997 -0.177,999 61.305,1000 69.557,1001 0.268,1002 0.65,1003 0.822,1004 0.874,1005 0.88,1006 0.88,1007 5.136,1008 1.58,1009 6.033,1010 4.838,1011 4.654,1012 5.204,1013 1.893,1014 6.866,1015 4.551,1016 6.339,1017 1.547,1018 7.598,1019 4.614,1020 4.205,1021 5.075,1022 0.57,1023 7.803,1024 4.069,1025 7.654,1026 1.446,1027 9.268,1028 3.709,1029 6.256,1030 7.481,1031 1.709,1032 10.952,1033 6.064,1034 9.011,1035 1.241,1036 11.002,1037 3.525,1038 6.673,1039 8.27,1040 0.479,1041 12.757,1042 6.456,1043 10.408,1044 1.027,1045 12.778,1046 2.96,1047 8.168,1048 10.129,1049 1.641,1050 15.41,1051 7.898,1052 11.832,1053 1,1054 14.583,1055 2.378,1056 8.983,1057 11.325,1058 0.346,1059 17.558,1060 8.686,1061 13.279,1062 1,1063 16.409,1064 2.232,1065 10.26,1066 12.974,1067 1.626,1068 20.046,1069 9.916,1070 3.261,1071 0.624,1072 18.249,1073 2.136,1074 11.261,1075 14.351,1076 0.237,1077 22.337,1078 10.884,1079 3.069,1080 11.27,1081 20.101,1082 1.755,1083 12.455,1084 15.918,1085 1.645,1086 24.767,1087 12.035,1088 2.742,1089 10.658,1090 21.962,1091 4.626,1092 13.54,1093 17.374,1094 0.158,1095 27.119,1096 13.083,1097 2.463,1098 8.763,1099 23.83,1100 4.449,1101 14.706,1102 18.909,1103 1.689,1104 29.53,1105 14.207,1106 2.292,1107 7.814,1108 25.703,1109 3.495,1110 15.83,1111 20.399,1112 0.104,1113 31.91,1114 15.292,1115 2.219,1116 7.256,1117 27.581,1118 3.189,1119 16.988,1120 21.922,1121 1.749,1122 34.316,1123 16.408,1124 1.784,1125 5.184,1126 29.464,1127 2.898,1128 18.132,1129 23.428,1130 0.068,1131 36.709,1132 17.511,1133 14356,1134 22648,1135 25.255,1136 39.569,1137 56.25,1138 57.125,1139 56.896,1140 55.928,1141 55.874,1142 72.347,1143 7.037,1144 161.344,1145 52.933,1146 5.679,1147 5.575,1148 6.602,1149 5.314,1150 5.261,1151 7.626,1152 2.117,1153 18.541,1154 5.125,1155 13.799,1156 1.52,1157 1.544,1158 1.538,1159 1.512,1160 1.51,1161 1.955,1162 0.19,1163 4.361,1164 1.431,1165 4.177,1166 4.222,1167 4.153,1168 4.048,1169 7.429,1170 4.066,1171 4.03,1172 4.078,1173 4,1174 3.868,1175 5.131,1176 3.898,1177 3.749,1178 3.821,1179 3.64,1180 3.543,1181 5.02,1182 3.551,1183 3.729,1184 3.794,1185 3.59,1186 3.511,1187 4.616,1188 3.523,1189 3.514,1190 3.582,1191 3.432,1192 3.288,1193 4.472,1194 3.316,1195 3.373,1196 3.449,1197 3.271,1198 3.165,1199 4.35,1200 3.178,1201 3.267,1202 3.328,1203 3.137,1204 3.102,1205 4.289,1206 3.099,1207 3.111,1208 3.206,1209 2.942,1210 2.941,1211 4.064,1212 2.91,1213 0.126,1214 0.097,1215 0.184,1216 0.114,1217 0.088,1218 4.679,1219 0.125,1220 3.575,1221 0.029,1222 6.8,1223 0.305,1224 4.21,1225 0.084,1226 3.261,1227 4.626,1228 1.058,1229 11.27,1230 3.125,1231 1.992,1232 1.967,1233 2.057,1234 2.12,1235 1.234,1236 2.098,1237 1.799,1238 1.752,1239 1.949,1240 1.971,1241 1.232,1242 1.965,1243 1.71,1244 1.641,1245 1.933,1246 1.939,1247 1.177,1248 1.946,1249 1.624,1250 1.567,1251 1.783,1252 1.857,1253 0.909,1254 1.841,1255 1.509,1256 1.46,1257 1.72,1258 1.763,1259 0.83,1260 1.745,1261 1.328,1262 1.242,1263 1.528,1264 1.628,1265 0.825,1266 1.582,1267 1.305,1268 1.227,1269 1.513,1270 1.553,1271 0.578,1272 1.558,1273 1.153,1274 1.064,1275 1.444,1276 1.376,1277 0.469,1278 1.429,1279 4.317,1281 5.645,1282 3.045,1283 7.165,1284 5.352,1285 8.779,1286 7.434,1287 10.451,1289 4.039,1295 5.116,1296 2.973,1297 5.534,1300 4.267,1305 37.869,1306 97.127,1307 235.072,1308 297.51,1309 316.265,1310 318.265,1311 318.265,1312 50.079,1313 8.299,1314 103.68,1315 103.68,1316 28,1317 12.893,1318 4.459,1319 3.585,1320 47.609,1321 140,1322 173,1323 0.168,1324 230.428,1325 382.88,1326 554.003,1327 46027,1329 22.786,1330 0.69,1331 0.573,1332 22.786,1333 18.914,1334 16.097,1335 0.435,1336 0.302,1337 10.949,1338 15.251,1339 10.699,1340 8.851,1341 16.097,1342 11.178,1343 14.554,1344 0.28,1345 0.163,1346 14.554,1347 8.456,1348 12.253,1349 0.173,1350 0.082,1351 12.253,1352 5.792,1353 10.583,1354 0.108,1355 0.042,1356 10.583,1357 4.088,1358 8.641,1359 0.068,1360 0.021,1361 8.641,1362 2.692,1363 0.261,1364 102.318,1365 0.199,1366 30.469,1367 0.47,1368 178,1369 516.007,1370 198.385,1371 494.202,1372 685.79,1373 466,1374 212,1375 514.442,1376 235.412,1377 519.701,1378 766.38,1379 487,1380 6.368}
{0 CHEMBL1957840,1 1.809,2 9.36,3 2.755,4 7.587,5 96.985,6 9.25,7 0.214,8 3.857,9 3.96,10 3.613,11 3.395,12 4.956,13 3.397,14 4.422,15 4.58,16 4.027,17 3.809,18 5.52,19 3.793,20 4.644,21 4.825,22 4.216,23 3.97,24 5.754,25 3.91,26 4.646,27 4.852,28 3.987,29 3.9,30 5.76,31 3.813,32 4.55,33 4.763,34 3.883,35 3.789,36 5.588,37 3.717,38 4.502,39 4.687,40 3.97,41 3.748,42 5.67,43 3.719,44 4.431,45 4.602,46 3.878,47 3.716,48 5.64,49 3.643,50 4.354,51 4.577,52 3.679,53 3.565,54 5.447,55 3.449,56 0.097,57 0.624,58 5.547,59 3.359,60 6.545,61 3.941,62 0.447,63 1.023,64 14.252,65 5.791,66 19.855,67 6.698,68 0.564,69 1.169,70 25.985,71 8.061,72 38.328,73 9.542,74 0.643,75 1.142,76 27.484,77 8.24,78 48.642,79 10.409,80 0.486,81 1.036,82 25.122,83 7.689,84 39.531,85 9.821,86 0.59,87 0.981,88 20.368,89 6.151,90 48.285,91 6.834,92 0.617,93 0.883,94 19.118,95 6.334,96 47.001,97 7.42,98 0.415,99 0.753,100 21.009,101 7.137,102 40.793,103 9.111,104 10,105 40,106 0.319,107 0.672,108 0.812,109 0.85,110 0.85,111 0.85,112 3.268,113 0.935,114 -4.8,115 -4.71,116 -4.42,119 41.5,125 5,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 5,183 4,186 1,187 1,195 6,198 5,199 5,207 2,211 1,212 5,224 6,232 1,236 3,237 6,245 1,250 4,258 2,263 5,271 2,275 886,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.517,282 23.118,283 9.922,284 17.708,285 13.805,286 13.805,287 13.805,288 13.805,289 13.805,290 11.456,291 28.992,292 4.706,293 15.09,294 3.548,295 1.548,296 0.75,297 0.537,298 0.537,299 0.537,300 3.965,301 2,303 1,304 1,305 1,306 511,307 2.345,310 51.289,311 209.364,314 93.076,318 1.494,319 26.425,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.667,331 234,332 4.467,333 3.795,334 6.727,335 4.133,336 3.208,337 3.988,338 1.443,339 10.959,340 2.971,341 4.31,342 3.438,343 6.342,344 3.861,345 2.946,346 3.808,347 1.074,348 9.455,349 2.674,350 3.907,351 3.179,352 6.101,353 3.645,354 2.731,355 3.079,356 0.88,357 8.898,358 2.487,359 3.56,360 3.087,361 5.622,362 3.263,363 2.312,364 2.705,365 0.86,366 7.244,367 2.175,368 3.275,369 2.516,370 5.02,371 2.833,372 1.907,373 2.508,374 0.68,375 5.591,376 1.687,377 3.053,378 2.337,379 4.537,380 2.727,381 1.819,382 2.066,383 0.249,384 4.672,385 1.646,386 2.867,387 2.034,388 4.423,389 2.36,390 1.414,391 2.029,392 0.136,393 3.926,394 1.286,395 2.775,396 1.793,397 3.869,398 2.259,399 1.335,400 1.705,402 3.179,403 1.219,404 2.457,405 1.738,406 3.754,407 2.14,408 1.235,409 1.386,411 2.934,412 1.106,413 2.209,414 1.331,415 3.447,416 1.952,417 1,418 1.103,420 2.23,421 0.946,422 2,423 1.256,424 3.247,425 1.831,426 0.896,427 1,428 2.136,429 0.829,430 1.584,431 1.149,432 3.057,433 1.163,434 0.36,435 0.395,436 0.862,437 0.235,438 1.395,439 0.554,440 2.696,441 0.763,442 -0.119,443 -0.152,445 -0.289,446 -0.094,447 1.049,448 0.149,449 2.519,450 0.605,451 -0.335,452 -0.463,454 -0.843,455 -0.303,456 0.724,457 -0.124,458 2.359,459 0.417,460 -0.54,461 -0.64,463 -1.335,464 -0.493,465 12.195,466 0.488,467 0.627,468 0.025,469 29.5,470 1.18,471 11.5,472 0.46,473 18,474 0.72,475 21.726,476 0.869,477 26.805,478 0.654,479 21.533,480 0.861,481 6.074,482 0.243,483 6.057,484 0.242,485 0.144,487 0.344,493 0.737,494 1.633,495 0.513,496 1.017,497 0.531,498 0.892,499 0.991,500 0.947,501 0.652,502 0.699,503 0.635,504 0.765,505 1.012,506 1.158,507 0.769,508 0.86,509 0.849,510 0.913,511 0.825,512 0.947,513 1.043,514 1.02,515 0.988,516 1.054,517 0.835,518 1.146,519 0.895,520 1.031,521 0.925,522 0.983,523 1.429,524 0.949,525 0.883,526 0.76,527 1.734,528 0.826,529 1.034,530 0.96,531 1.027,532 1.014,533 1.39,534 1.104,535 0.703,536 0.968,537 0.783,538 1.067,539 0.801,540 1.037,541 4.5,542 0.066,543 3.333,544 1.694,545 1.449,546 0.847,547 0.529,548 0.369,549 0.232,550 0.12,551 7007,552 23106,553 2.13,554 39,556 14,557 2,564 1.683,565 2,566 3.231,567 -0.672,568 1,569 1,573 74.173,574 1.809,575 3.809,576 4.607,577 4.821,578 4.821,579 4.821,580 2.695,581 4.324,582 4.617,583 3.365,584 1009.39,585 7.999,586 11942.9,587 1,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.161,595 0.006,596 0.083,597 0.041,598 0.041,599 0.026,600 0.016,601 0.013,602 0.011,603 0.007,604 0.404,605 0.5,606 1,607 0.553,608 119.1,609 -0.057,610 -0.441,611 0.024,612 -0.161,613 -0.02,614 -0.062,615 -0.061,616 0.205,617 0.014,618 0.156,619 -0.002,620 0.079,621 -0.081,622 -0.119,623 0.097,624 0.072,625 0.009,626 0.017,627 0.046,628 0.078,629 -0.107,630 -0.076,631 -0.013,632 -0.095,633 0.001,634 -0.156,635 -0.008,636 -0.08,637 -0.048,638 0.003,639 -0.277,640 0.114,641 -0.048,642 0.129,643 -0.242,644 0.051,645 0.042,646 0.065,647 -0.124,648 -0.077,649 -0.051,650 -0.191,651 0.164,652 -0.095,653 0.164,654 -0.046,655 0.188,656 0.03,657 1.776,658 5.434,659 0.84,660 20.138,661 1.022,662 1.127,663 3.565,664 12.711,665 0.707,666 3.367,667 3.714,668 4.025,669 4.29,670 4.522,671 4.625,672 4.787,673 4.934,674 5.011,675 5.056,676 5.688,677 0.679,678 379.27,679 3.367,680 4.92,681 5.79,682 6.678,683 7.565,684 8.46,685 9.353,686 10.252,687 11.15,688 12.051,689 9.8,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 28,737 44,738 17,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 16,782 6,784 8,785 2,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,845 2,848 25,854 5,856 1,859 3,869 2,870 4.9,873 1,874 1,877 12.5,878 7.419,879 5.417,880 2.43,881 2.198,882 1.292,883 1.002,884 4.733,885 9.719,886 3.584,887 4.119,888 4.652,889 5.147,890 5.587,891 5.813,892 6.088,893 6.416,894 6.691,895 6.912,896 1,897 41,898 9.24,900 4.001,901 7.789,902 17.57,904 14.604,905 2.289,906 57.222,909 1,910 188.338,911 90.62,912 26.158,913 78.297,914 36.145,917 90.62,918 302.78,919 26.158,921 36.721,922 37.905,923 40.849,924 35.549,925 25.441,926 164.795,927 78.297,928 188.338,929 116.779,930 36.145,931 78.297,933 188.338,934 25.145,935 11,937 41.66,938 65.642,939 87.774,941 188.338,942 62.303,943 168.917,946 188.338,947 34.62,948 65.373,950 131.228,951 188.338,952 62.303,953 168.917,955 0.588,956 0.354,957 0.188,958 0.1,959 21,960 9,961 0.068,962 3,963 1,964 1.095,965 3.681,966 216.155,967 0.095,968 21,969 112.096,974 16.91,975 6.997,976 3.292,978 62.303,979 5.517,984 1.899,987 419.558,988 35,993 12.434,995 5.102,996 4.688,997 1.137,999 41.894,1000 46.206,1001 0.338,1002 0.711,1003 0.86,1004 0.9,1005 0.9,1006 0.9,1007 4.856,1008 1.335,1009 5.784,1010 3.926,1011 4.394,1012 4.804,1013 2.363,1014 6.621,1015 4.224,1016 6.046,1017 1.235,1018 7.362,1019 3.179,1020 4.007,1021 4.559,1022 1.104,1023 7.561,1024 3.705,1025 7.351,1026 1,1027 9.042,1028 2.934,1029 6.014,1030 6.881,1031 2.46,1032 10.686,1033 5.688,1034 8.689,1035 0.896,1036 10.781,1037 2.23,1038 6.463,1039 7.46,1040 1.822,1041 12.447,1042 6,1043 10.062,1044 0.36,1045 12.557,1046 2.136,1047 7.935,1048 9.261,1049 2.786,1050 15.08,1051 7.444,1052 11.458,1053 -0.119,1054 14.357,1055 0.862,1056 8.76,1057 10.226,1058 2.537,1059 17.176,1060 8.146,1061 12.871,1062 -0.335,1063 16.176,1064 -0.289,1065 10.023,1066 11.806,1067 3.27,1068 19.637,1069 9.363,1070 3.208,1071 -0.54,1072 18.007,1073 -0.843,1074 11.017,1075 12.963,1076 3.269,1077 21.88,1078 10.252,1079 2.946,1080 10.959,1081 19.848,1082 -1.335,1083 12.199,1084 14.439,1085 3.856,1086 24.279,1087 11.374,1088 2.731,1089 9.455,1090 21.696,1091 3.988,1092 13.271,1093 15.694,1094 4.008,1095 26.591,1096 12.352,1097 2.312,1098 8.898,1099 23.55,1100 3.808,1101 14.423,1102 17.118,1103 4.507,1104 28.97,1105 13.437,1106 1.907,1107 7.244,1108 25.409,1109 3.079,1110 15.531,1111 18.425,1112 4.747,1113 31.315,1114 14.46,1115 1.819,1116 5.591,1117 27.273,1118 2.705,1119 16.674,1120 19.824,1121 5.193,1122 33.691,1123 15.532,1124 1.414,1125 4.672,1126 29.14,1127 2.508,1128 17.801,1129 21.158,1130 5.486,1131 36.054,1132 16.579,1133 6641,1134 12190,1135 18.898,1136 28.977,1137 43.218,1138 44.509,1139 43.718,1140 42.477,1141 42.33,1142 51.544,1143 10.643,1144 124.171,1145 38.522,1146 5.467,1147 5.795,1148 6.529,1149 5.237,1150 5.208,1151 6.988,1152 2.571,1153 18.147,1154 4.971,1155 10.803,1156 1.543,1157 1.59,1158 1.561,1159 1.517,1160 1.512,1161 1.841,1162 0.38,1163 4.435,1164 1.376,1165 4.002,1166 4.047,1167 4.128,1168 3.9,1169 7.429,1170 3.897,1171 3.876,1172 3.903,1173 3.918,1174 3.735,1175 5.038,1176 3.761,1177 3.723,1178 3.778,1179 3.628,1180 3.507,1181 4.812,1182 3.526,1183 3.39,1184 3.43,1185 3.429,1186 3.228,1187 4.604,1188 3.238,1189 3.111,1190 3.206,1191 3.326,1192 2.972,1193 4.487,1194 2.959,1195 3.101,1196 3.163,1197 3.228,1198 2.941,1199 4.295,1200 2.91,1201 2.906,1202 2.933,1203 2.951,1204 2.837,1205 4.23,1206 2.806,1207 2.899,1208 2.917,1209 2.866,1210 2.61,1211 3.735,1212 2.669,1213 0.16,1214 0.136,1215 0.24,1216 0.148,1217 0.115,1218 4.467,1219 0.142,1220 3.795,1221 0.052,1222 6.727,1223 0.391,1224 4.133,1225 0.106,1226 3.208,1227 3.988,1228 1.443,1229 10.959,1230 2.971,1231 1.901,1232 1.883,1233 1.973,1234 2.015,1235 1.208,1236 1.999,1237 1.781,1238 1.733,1239 1.938,1240 1.963,1241 1.162,1242 1.971,1243 1.558,1244 1.512,1245 1.69,1246 1.799,1247 0.825,1248 1.768,1249 1.451,1250 1.392,1251 1.618,1252 1.645,1253 0.762,1254 1.644,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.736,1260 1.429,1261 1.111,1262 1.055,1263 1.353,1264 1.298,1265 0.474,1266 1.317,1267 0.847,1268 0.827,1269 1.053,1270 1.084,1271 0.212,1272 1.072,1273 0.796,1274 0.743,1275 0.966,1276 0.995,1277 0.084,1278 0.99,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.727,1285 8.547,1286 6.843,1287 10.221,1290 12.383,1295 3.21,1297 5.366,1300 5.486,1305 27.858,1306 74.173,1307 156.176,1308 188.905,1309 197.66,1310 197.66,1311 197.66,1312 38.198,1313 7.521,1314 51.77,1315 51.77,1316 23,1317 12.573,1318 3.459,1319 3,1320 35.797,1321 84,1322 82,1323 0.208,1324 175.61,1325 315.84,1326 420.249,1327 18379,1328 4.9,1329 17.389,1330 0.696,1331 0.595,1332 18.389,1333 14.873,1334 12.131,1335 0.433,1336 0.312,1337 7.887,1338 11.024,1339 7.706,1340 6.266,1341 12.708,1342 8.73,1343 11.035,1344 0.276,1345 0.166,1346 11.739,1347 6.646,1348 9.804,1349 0.178,1350 0.093,1351 10.815,1352 5.138,1353 8.053,1354 0.112,1355 0.046,1356 8.526,1357 3.335,1358 6.447,1359 0.071,1360 0.024,1361 6.798,1362 2.191,1363 0.32,1364 82.81,1365 0.23,1366 23.941,1367 0.593,1368 136,1369 434.458,1370 181.984,1371 471.096,1372 623.99,1373 440,1374 163,1375 412.674,1376 208.628,1377 432.628,1378 643.24,1379 407,1380 6.301}
{0 CHEMBL1957841,1 1.54,2 10.074,3 2.334,4 5.448,5 103.826,6 7.669,7 0.355,8 3.981,9 4.094,10 3.598,11 3.522,12 5.044,13 3.519,14 4.54,15 4.706,16 3.969,17 3.936,18 5.579,19 3.914,20 4.769,21 4.968,22 4.007,23 4.085,24 5.757,25 4.027,26 4.794,27 5.013,28 3.931,29 4.062,30 5.812,31 3.974,32 4.758,33 4.994,34 3.853,35 3.971,36 5.689,37 3.885,38 4.703,39 4.926,40 3.841,41 3.895,42 5.726,43 3.849,44 4.613,45 4.814,46 3.779,47 3.868,48 5.705,49 3.802,50 4.564,51 4.804,52 3.559,53 3.76,54 5.514,55 3.655,56 0.011,57 0.72,58 9.08,59 4.057,60 5.279,61 5.2,62 0.336,63 1.216,64 18.446,65 6.772,66 20.191,67 8.724,68 0.304,69 1.445,70 24.595,71 9.005,72 26.549,73 12.106,74 0.401,75 1.475,76 25.694,77 9.458,78 39.618,79 13.171,80 0.245,81 1.389,82 25.623,83 9.24,84 31.502,85 13.072,86 0.379,87 1.313,88 24.662,89 7.592,90 41.182,91 10.169,92 0.456,93 1.206,94 21.51,95 7.349,96 43.371,97 9.86,98 0.179,99 1.085,100 21.454,101 8.065,102 28.016,103 11.14,104 2,105 44,106 0.26,107 0.6,108 0.747,109 0.811,110 0.845,111 0.859,112 3.341,113 0.888,114 -4.56,115 -4.48,116 -4.22,119 44.7,125 5,135 1,137 2,139 1,142 7,143 3,158 1,159 1,172 11,174 5,175 5,183 14,186 1,187 2,195 12,198 5,199 6,207 6,211 1,212 8,220 2,224 9,232 1,236 3,237 10,245 2,250 8,258 3,263 7,271 3,275 1055,276 18.861,277 18.861,278 18.861,279 18.861,280 18.861,281 16.948,282 22.296,283 11.178,284 19.361,285 15.352,286 15.352,287 15.352,288 15.352,289 15.352,290 12.318,291 29.682,292 5.325,293 16.152,294 4.014,295 2.002,296 1.131,297 0.756,298 0.553,299 0.468,300 4.058,303 1,304 1,305 1,306 614,307 2.345,310 51.966,311 261.294,314 94.908,315 105.552,318 1.49,319 20.18,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 272,332 4.515,333 3.795,334 6.73,335 4.143,336 3.211,337 4.431,338 1.443,339 10.972,340 3.05,341 4.437,342 3.247,343 6.505,344 4.012,345 3.022,346 3.814,347 1.074,348 10.198,349 2.942,350 3.914,351 3.119,352 6.102,353 3.655,354 2.737,355 3.1,356 0.88,357 8.917,358 2.511,359 3.594,360 3.012,361 5.637,362 3.305,363 2.337,364 2.888,365 0.86,366 7.341,367 2.253,368 3.439,369 2.373,370 5.175,371 3.006,372 2.011,373 2.66,374 0.68,375 6.088,376 1.994,377 3.118,378 2.288,379 4.537,380 2.727,381 1.819,382 2.427,383 0.249,384 4.672,385 1.646,386 3.055,387 1.857,388 4.461,389 2.618,390 1.618,391 2.068,392 0.136,393 4.082,394 1.618,395 2.79,396 1.789,397 4.123,398 2.317,399 1.365,400 1.905,402 3.69,403 1.3,404 2.763,405 1.618,406 3.754,407 2.254,408 1.269,409 1.721,411 2.936,412 1.245,413 2.532,414 1.331,415 3.592,416 2.146,417 1.237,418 1.47,420 2.82,421 1.115,422 2.276,423 1.275,424 3.447,425 1.952,426 1,427 1.205,428 2.263,429 0.946,430 2.196,431 1.256,432 3.334,433 1.892,434 0.931,435 1.071,436 2.136,437 0.89,438 2,439 0.999,440 3.247,441 1.797,442 0.829,443 1,445 2.016,446 0.798,447 1.53,448 0.558,449 2.871,450 1.013,451 0.036,452 0.045,454 0.094,455 0.035,456 1.201,457 0.161,458 2.694,459 0.705,460 -0.298,461 -0.43,463 -0.768,464 -0.294,465 12.767,466 0.473,467 0.551,468 0.02,469 34.5,470 1.278,471 15.5,472 0.574,473 19,474 0.704,475 21.038,476 0.779,477 28.033,478 0.596,479 25.697,480 0.952,481 7.12,482 0.264,483 6.173,484 0.229,485 0.026,487 0.329,493 0.788,494 1.474,495 0.716,496 1.124,497 0.557,498 0.943,499 1.093,500 0.912,501 0.935,502 0.847,503 0.676,504 0.86,505 1.053,506 1.086,507 0.99,508 0.965,509 0.883,510 0.964,511 0.678,512 1.005,513 1.018,514 1.05,515 0.906,516 1.074,517 0.752,518 1.159,519 0.905,520 1.058,521 0.841,522 1.008,523 1.575,524 0.943,525 1.092,526 0.801,527 1.797,528 0.846,529 1.12,530 0.992,531 1.146,532 0.98,533 1.412,534 1.043,535 0.866,536 1.001,537 0.964,538 1.078,539 0.908,540 1.041,541 4,542 0.049,543 3.111,544 1.569,545 1.391,546 0.826,547 0.448,548 0.332,549 0.24,550 0.124,551 9228,552 22491,553 2.231,554 42.6,556 18,557 2,564 1.703,565 2.16,566 3.317,567 -0.769,568 1,569 1,573 72.388,574 1.54,575 3.553,576 4.423,577 4.799,578 5.001,579 5.087,580 2.711,581 4.385,582 4.729,583 3.447,584 1209.9,585 8.222,586 15103.1,588 1,590 1,591 261.066,592 1.125,593 4.716,594 0.129,595 0.003,596 0.071,597 0.035,598 0.035,599 0.022,600 0.012,601 0.01,602 0.009,603 0.006,604 0.331,605 0.5,606 0.88,607 0.352,608 132.174,609 -0.01,610 -0.336,611 0.089,612 -0.137,613 -0.014,614 -0.034,615 0.016,616 0.214,617 -0.026,618 0.089,619 -0.004,620 0.03,621 -0.089,622 -0.05,623 -0.05,624 0.002,625 -0.03,626 -0.016,627 0.144,628 0.026,629 -0.07,630 -0.087,631 0.049,632 -0.11,633 0.055,634 -0.175,635 0.071,636 -0.085,637 -0.005,638 -0.018,639 -0.281,640 0.096,641 -0.077,642 0.117,643 -0.222,644 0.07,645 0.048,646 0.05,647 -0.177,648 -0.038,649 -0.017,650 -0.12,651 -0.012,652 -0.07,653 0.025,654 -0.078,655 0.052,656 -0.025,657 1.724,658 5.572,659 0.926,660 22.151,661 1.003,662 1.122,663 3.327,664 11.066,665 0.681,666 3.466,667 3.807,668 4.143,669 4.454,670 4.71,671 4.804,672 4.99,673 5.153,674 5.273,675 5.333,676 5.993,677 0.654,678 360.45,679 3.466,680 5.017,681 5.894,682 6.788,683 7.68,684 8.58,685 9.478,686 10.382,687 11.283,688 12.189,689 8.5,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 47,733 15,734 2,735 31,737 51,738 21,739 10,740 3,741 7,742 4,746 5,747 7,750 1,761 16,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 20,782 6,784 6,790 4,794 0.6,795 2,811 1,812 4,815 1,816 1,827 1,831 1,836 2,839 1,840 3,848 27,854 5,856 1,859 3,870 4.3,873 1,874 1,877 12.5,878 8.467,879 5.833,880 2.858,881 3.4,882 1.42,883 1.039,884 4.189,885 11.493,886 3.726,887 4.297,888 4.909,889 5.5,890 6.028,891 6.31,892 6.696,893 7.077,894 7.44,895 7.527,896 0.857,897 45,898 10.002,900 4.349,901 7.611,902 19.412,904 16.435,905 2.111,906 57,909 1,910 235.422,911 126.67,912 26.158,914 36.145,917 126.67,918 271.567,919 26.158,921 36.721,922 75.81,923 40.849,924 33.694,925 25.441,926 211.88,928 235.422,929 152.828,930 36.145,933 235.422,934 25.145,935 11,937 41.66,938 101.692,939 9.476,941 235.422,942 62.303,943 126.67,946 235.422,947 32.765,948 103.278,950 52.93,951 235.422,952 62.303,953 126.67,955 0.581,956 0.351,957 0.202,958 0.11,959 24,960 9,961 0.059,962 3,963 2,964 1.16,965 3.939,966 247.703,967 0.16,968 25,969 120.382,974 16.543,975 6.837,976 3.03,977 2.434,978 62.303,979 14.67,984 1.206,987 424.395,988 40.5,993 12.572,995 5.327,996 4.792,997 1.33,999 47.131,1000 52.734,1001 0.277,1002 0.64,1003 0.796,1004 0.864,1005 0.9,1006 0.916,1007 4.982,1008 1.365,1009 5.872,1010 4.082,1011 4.489,1012 4.984,1013 2.363,1014 6.711,1015 4.396,1016 6.172,1017 1.269,1018 7.44,1019 3.69,1020 4.007,1021 4.691,1022 1.104,1023 7.644,1024 3.868,1025 7.476,1026 1.237,1027 9.112,1028 2.936,1029 6.098,1030 7.147,1031 2.46,1032 10.789,1033 5.913,1034 8.817,1035 1,1036 10.848,1037 2.82,1038 6.494,1039 7.752,1040 1.822,1041 12.576,1042 6.257,1043 10.194,1044 0.931,1045 12.624,1046 2.263,1047 8.014,1048 9.648,1049 2.786,1050 15.213,1051 7.736,1052 11.598,1053 0.829,1054 14.428,1055 2.136,1056 8.815,1057 10.697,1058 2.537,1059 17.335,1060 8.488,1061 13.022,1062 0.036,1063 16.25,1064 2.016,1065 10.103,1066 12.352,1067 3.27,1068 19.798,1069 9.735,1070 3.211,1071 -0.298,1072 18.086,1073 0.094,1074 11.09,1075 13.621,1076 3.269,1077 22.059,1078 10.675,1079 3.022,1080 10.972,1081 19.933,1082 -0.768,1083 12.285,1084 15.172,1085 3.856,1086 24.461,1087 11.828,1088 2.737,1089 10.198,1090 21.787,1091 4.431,1092 13.356,1093 16.549,1094 4.008,1095 26.782,1096 12.854,1097 2.337,1098 8.917,1099 23.647,1100 3.814,1101 14.515,1102 18.056,1103 4.507,1104 29.163,1105 13.971,1106 2.011,1107 7.341,1108 25.512,1109 3.1,1110 15.626,1111 19.486,1112 4.747,1113 31.512,1114 15.035,1115 1.819,1116 6.088,1117 27.381,1118 2.888,1119 16.773,1120 20.975,1121 5.193,1122 33.887,1123 16.14,1124 1.618,1125 4.672,1126 29.253,1127 2.66,1128 17.902,1129 22.431,1130 5.486,1131 36.25,1132 17.223,1133 8422,1134 13280,1135 21.671,1136 32.023,1137 47.74,1138 48.273,1139 47.544,1140 46.853,1141 46.842,1142 59.61,1143 10.643,1144 136.447,1145 44.685,1146 5.515,1147 5.795,1148 6.532,1149 5.247,1150 5.211,1151 7.431,1152 2.571,1153 18.167,1154 5.05,1155 6.434,1156 1.54,1157 1.557,1158 1.534,1159 1.511,1160 1.511,1161 1.923,1162 0.343,1163 4.402,1164 1.441,1165 4.103,1166 4.129,1167 4.057,1168 4.057,1169 7.429,1170 4.053,1171 3.943,1172 3.99,1173 3.907,1174 3.752,1175 4.911,1176 3.786,1177 3.732,1178 3.791,1179 3.627,1180 3.519,1181 4.798,1182 3.536,1183 3.495,1184 3.538,1185 3.398,1186 3.401,1187 4.604,1188 3.393,1189 3.372,1190 3.413,1191 3.281,1192 3.223,1193 4.339,1194 3.231,1195 3.141,1196 3.206,1197 3.029,1198 3.037,1199 4.249,1200 3.026,1201 3.111,1202 3.198,1203 2.9,1204 2.941,1205 3.875,1206 2.91,1207 2.943,1208 2.977,1209 2.866,1210 2.695,1211 3.725,1212 2.723,1213 0.146,1214 0.122,1215 0.217,1216 0.134,1217 0.104,1218 4.515,1219 0.143,1220 3.795,1221 0.047,1222 6.73,1223 0.354,1224 4.143,1225 0.098,1226 3.211,1227 4.431,1228 1.443,1229 10.972,1230 3.05,1231 2.081,1232 2.062,1233 2.165,1234 2.135,1235 1.328,1236 2.146,1237 1.783,1238 1.735,1239 1.94,1240 2.008,1241 1.207,1242 1.987,1243 1.563,1244 1.516,1245 1.726,1246 1.804,1247 0.88,1248 1.774,1249 1.545,1250 1.499,1251 1.69,1252 1.712,1253 0.825,1254 1.715,1255 1.411,1256 1.358,1257 1.593,1258 1.558,1259 0.749,1260 1.577,1261 1.154,1262 1.104,1263 1.513,1264 1.376,1265 0.648,1266 1.429,1267 1.153,1268 1.064,1269 1.38,1270 1.316,1271 0.485,1272 1.338,1273 0.918,1274 0.859,1275 1.159,1276 1.128,1277 0.262,1278 1.132,1279 4.143,1281 5.476,1282 2.398,1283 7.02,1284 4.727,1285 8.659,1286 6.843,1287 10.345,1295 3.506,1297 5.41,1300 5.752,1305 30.73,1306 72.388,1307 166.976,1308 207.904,1309 225.556,1310 235.066,1311 239.066,1312 33.643,1313 8.093,1314 51.77,1315 51.77,1316 29,1317 12.708,1318 4,1319 3.392,1320 35.658,1321 97,1322 94,1323 0.18,1324 184.066,1325 326.08,1326 440.88,1327 39370,1329 18.217,1330 0.675,1331 0.552,1332 18.217,1333 14.914,1334 13.293,1335 0.429,1336 0.296,1337 9.027,1338 12.738,1339 8.881,1340 7.27,1341 13.293,1342 9.174,1343 11.907,1344 0.271,1345 0.154,1346 11.907,1347 6.786,1348 10.652,1349 0.172,1350 0.083,1351 10.652,1352 5.128,1353 9.392,1354 0.11,1355 0.044,1356 9.392,1357 3.715,1358 7.819,1359 0.071,1360 0.023,1361 7.819,1362 2.558,1363 0.277,1364 83.43,1365 0.215,1366 25.597,1367 0.507,1368 150,1369 416.052,1370 164.945,1371 399.229,1372 559.37,1373 378,1374 181,1375 421.949,1376 197.446,1377 425.166,1378 631.91,1379 402,1380 6.201}
{0 CHEMBL1957844,1 1.724,2 9.25,3 1.631,4 2.661,5 87.592,6 8.009,7 0.222,8 3.855,9 3.968,10 3.492,11 3.333,12 4.976,13 3.354,14 4.419,15 4.589,16 3.863,17 3.727,18 5.543,19 3.734,20 4.638,21 4.84,22 3.893,23 3.846,24 5.752,25 3.821,26 4.647,27 4.875,28 3.795,29 3.794,30 5.817,31 3.742,32 4.543,33 4.776,34 3.729,35 3.702,36 5.602,37 3.659,38 4.504,39 4.705,40 3.751,41 3.645,42 5.744,43 3.646,44 4.421,45 4.617,46 3.575,47 3.601,48 5.617,49 3.553,50 4.35,51 4.592,52 3.362,53 3.446,54 5.579,55 3.349,56 0.082,57 0.71,58 7.432,59 3.447,60 7.544,61 4.279,62 0.427,63 1.137,64 16.006,65 5.643,66 21.06,67 7.065,68 0.495,69 1.353,70 21.703,71 7.264,72 40.243,73 9.474,74 0.687,75 1.339,76 23.221,77 7.427,78 61.7,79 9.905,80 0.412,81 1.157,82 20.844,83 6.835,84 41.667,85 9.518,86 0.626,87 1.16,88 19.705,89 5.526,90 58.485,91 7.024,92 0.557,93 1.018,94 17.591,95 5.902,96 48.28,97 7.486,98 0.457,99 0.876,100 18.042,101 6.462,102 61.993,103 8.867,104 5,105 38,106 0.304,107 0.657,108 0.798,109 0.841,110 0.85,111 0.85,112 3.229,113 0.874,114 -4.18,115 -4.12,116 -3.89,119 41.5,125 5,135 1,137 2,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 5,175 5,183 4,186 1,187 1,195 2,198 5,199 5,211 1,212 4,224 6,232 1,236 3,237 4,245 1,250 4,258 2,263 3,271 1,275 800,276 16.499,277 16.499,278 16.499,279 16.499,280 16.499,281 15.069,282 22.573,283 9.779,284 17.051,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 11.073,291 28.732,292 4.665,293 14.257,294 3.634,295 1.631,296 0.829,297 0.585,298 0.537,299 0.537,300 3.929,303 1,304 1,305 1,306 488,307 2.236,310 48.736,311 198.644,314 88.232,318 1.438,319 29.503,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.5,331 222,332 4.463,333 3.795,334 6.726,335 4.132,336 3.205,337 3.842,338 1.443,339 10.955,340 2.972,341 4.166,342 3.275,343 6.118,344 3.782,345 2.824,346 3.75,347 1.074,348 8.978,349 2.706,350 3.897,351 3.13,352 6.034,353 3.629,354 2.703,355 3.07,356 0.88,357 8.609,358 2.489,359 3.542,360 3.038,361 5.58,362 3.23,363 2.266,364 2.682,365 0.86,366 7.085,367 2.17,368 3.06,369 2.354,370 4.538,371 2.727,372 1.82,373 2.108,374 0.68,375 4.673,376 1.647,377 2.933,378 2.176,379 4.521,380 2.528,381 1.554,382 2.054,383 0.249,384 4.33,385 1.51,386 2.852,387 1.794,388 4.091,389 2.38,390 1.414,391 1.98,392 0.136,393 3.438,394 1.349,395 2.758,396 1.734,397 3.754,398 2.208,399 1.283,400 1.689,402 2.963,403 1.185,404 2.424,405 1.474,406 3.597,407 2.127,408 1.201,409 1.359,411 2.92,412 1.099,413 2.207,414 1.329,415 3.446,416 1.952,417 1,418 1.098,420 2.216,421 0.946,422 2,423 1.256,424 3.247,425 1.828,426 0.888,427 1,428 2.136,429 0.827,430 1.549,431 0.642,432 2.921,433 1.113,434 0.164,435 0.195,436 0.399,437 0.153,438 1.266,439 0.449,440 2.694,441 0.732,442 -0.247,443 -0.348,445 -0.61,446 -0.234,447 0.782,448 -0.025,449 2.481,450 0.47,451 -0.489,452 -0.607,454 -1.256,455 -0.463,456 0.659,457 -0.239,458 2,459 0.302,460 -0.632,461 -0.696,463 -1.504,464 -0.587,465 11.052,466 0.461,467 0.538,468 0.022,469 28.75,470 1.198,471 11.5,472 0.479,473 17.25,474 0.719,475 18.54,476 0.772,477 26.148,478 0.638,479 21.62,480 0.901,481 6.117,482 0.255,483 5.603,484 0.233,485 0.056,487 0.335,491 1,493 0.695,494 1.405,495 0.667,496 1.225,497 0.508,498 0.995,499 0.924,500 0.927,501 0.884,502 0.885,503 0.591,504 0.87,505 1.035,506 1.151,507 0.983,508 1.022,509 0.877,510 0.991,511 0.933,512 0.941,513 1.063,514 0.965,515 1.145,516 1.025,517 0.785,518 1.056,519 0.818,520 0.991,521 0.798,522 0.922,523 1.374,524 0.887,525 1.137,526 0.828,527 1.475,528 0.885,529 1.048,530 0.958,531 1.204,532 1.055,533 1.203,534 1.141,535 0.603,536 0.898,537 0.86,538 1.143,539 0.623,540 1.097,541 4,542 0.033,543 2.889,544 1.382,545 1.338,546 0.792,547 0.462,548 0.328,549 0.186,550 0.064,551 6360,552 18525,553 2.161,554 41.5,556 15,557 2,564 1.672,565 2.057,566 3.204,567 -0.699,568 1,569 1,571 1,573 70.686,574 1.724,575 3.727,576 4.528,577 4.772,578 4.821,579 4.821,580 2.669,581 4.335,582 4.557,583 3.324,584 917.481,585 7.88,586 10528.3,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.148,595 0.003,596 0.076,597 0.036,598 0.041,599 0.025,600 0.014,601 0.013,602 0.009,603 0.005,604 0.37,605 0.67,606 1,607 0.49,608 112.634,609 -0.042,610 -0.348,611 0.075,612 -0.194,613 -0.017,614 -0.065,615 -0.042,616 0.072,617 -0.015,618 0.055,619 0.003,620 0.026,621 -0.119,622 -0.166,623 -0.052,624 -0.059,625 -0.035,626 -0.043,627 0.042,628 0.122,629 -0.088,630 -0.014,631 -0.054,632 -0.073,633 0.004,634 -0.153,635 0.142,636 -0.027,637 -0.007,638 0.072,639 -0.19,640 0.135,641 -0.157,642 0.078,643 -0.144,644 -0.002,645 -0.034,646 0.006,647 -0.264,648 -0.099,649 -0.081,650 -0.208,651 0.248,652 -0.043,653 0.141,654 -0.124,655 0.304,656 -0.043,657 1.934,658 5.907,659 0.875,660 19.25,661 1.019,662 1.138,663 2.947,664 8.683,665 0.663,666 3.332,667 3.664,668 3.97,669 4.248,670 4.489,671 4.575,672 4.745,673 4.89,674 4.942,675 4.984,676 5.529,677 0.648,678 328.38,679 3.332,680 4.875,681 5.74,682 6.624,683 7.507,684 8.399,685 9.291,686 10.187,687 11.084,688 11.984,689 9.8,692 2,696 1,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 27,737 44,738 17,739 6,740 2,741 4,742 4,746 4,747 5,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,779 1,781 17,782 7,784 7,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,846 1,848 24,854 5,856 1,859 3,869 1,870 4.9,873 1,874 1,877 11.667,878 7.36,879 5.222,880 2.443,881 2.173,882 1.293,883 1.008,884 4.085,885 9.597,886 3.555,887 4.069,888 4.593,889 5.093,890 5.54,891 5.737,892 6.033,893 6.377,894 6.615,895 6.834,896 1,897 38,898 8.926,900 3.903,901 7.889,902 16.87,904 14.014,905 2.389,906 57.333,910 200.109,911 102.216,912 26.158,914 36.145,915 14.96,917 102.216,918 236.254,919 41.119,921 36.721,922 47.381,923 40.849,924 37.669,925 40.401,926 176.567,928 200.109,929 128.375,930 51.105,933 215.069,934 25.145,935 11,937 41.66,938 77.238,939 9.476,941 215.069,942 62.303,943 102.216,946 200.109,947 36.74,948 74.849,950 67.89,951 200.109,952 77.263,953 102.216,955 0.582,956 0.347,957 0.19,958 0.104,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.639,966 203.592,967 0.095,968 21,969 106.039,974 15.364,975 6.381,976 2.982,978 77.263,979 6.615,984 0.289,987 379.588,988 34,993 12.353,995 4.944,996 4.619,997 0.998,999 41.76,1000 46.658,1001 0.322,1002 0.696,1003 0.845,1004 0.891,1005 0.9,1006 0.9,1007 4.816,1008 1.283,1009 5.72,1010 3.438,1011 4.344,1012 4.754,1013 2.363,1014 6.544,1015 4.218,1016 5.992,1017 1.201,1018 7.284,1019 2.963,1020 3.892,1021 4.407,1022 1.104,1023 7.455,1024 3.69,1025 7.285,1026 1,1027 8.951,1028 2.92,1029 5.943,1030 6.794,1031 2.46,1032 10.583,1033 5.689,1034 8.611,1035 0.888,1036 10.68,1037 2.216,1038 6.347,1039 7.279,1040 1.822,1041 12.34,1042 6.008,1043 9.973,1044 0.164,1045 12.448,1046 2.136,1047 7.846,1048 9.127,1049 2.786,1050 14.967,1051 7.456,1052 11.359,1053 -0.247,1054 14.242,1055 0.399,1056 8.643,1057 10.01,1058 2.537,1059 17.067,1060 8.167,1061 12.763,1062 -0.489,1063 16.055,1064 -0.61,1065 9.918,1066 11.614,1067 3.27,1068 19.524,1069 9.385,1070 3.205,1071 -0.632,1072 17.881,1073 -1.256,1074 10.898,1075 12.7,1076 3.269,1077 21.774,1078 10.28,1079 2.824,1080 10.955,1081 19.718,1082 -1.504,1083 12.083,1084 14.183,1085 3.856,1086 24.173,1087 11.403,1088 2.703,1089 8.978,1090 21.563,1091 3.842,1092 13.148,1093 15.377,1094 4.008,1095 26.493,1096 12.386,1097 2.266,1098 8.609,1099 23.414,1100 3.75,1101 14.301,1102 16.796,1103 4.507,1104 28.876,1105 13.471,1106 1.82,1107 7.085,1108 25.271,1109 3.07,1110 15.407,1111 18.05,1112 4.747,1113 31.229,1114 14.497,1115 1.554,1116 4.673,1117 27.132,1118 2.682,1119 16.551,1120 19.433,1121 5.193,1122 33.61,1123 15.569,1124 1.414,1125 4.33,1126 28.997,1127 2.108,1128 17.678,1129 20.721,1130 5.486,1131 35.98,1132 16.617,1133 5992,1134 10339,1135 18.493,1136 27.199,1137 41.491,1138 42.095,1139 41.586,1140 40.691,1141 40.646,1142 49.654,1143 10.643,1144 117.404,1145 38.106,1146 5.463,1147 5.795,1148 6.528,1149 5.235,1150 5.205,1151 6.842,1152 2.571,1153 18.128,1154 4.972,1155 8.502,1156 1.537,1157 1.559,1158 1.54,1159 1.507,1160 1.505,1161 1.839,1162 0.394,1163 4.348,1164 1.411,1165 4.002,1166 4.049,1167 3.961,1168 3.872,1169 8.201,1170 3.881,1171 3.875,1172 3.91,1173 3.826,1174 3.728,1175 7.429,1176 3.754,1177 3.723,1178 3.779,1179 3.62,1180 3.506,1181 4.826,1182 3.525,1183 3.389,1184 3.43,1185 3.304,1186 3.225,1187 4.638,1188 3.236,1189 3.111,1190 3.206,1191 2.986,1192 2.955,1193 4.598,1194 2.946,1195 3.098,1196 3.164,1197 2.866,1198 2.941,1199 4.255,1200 2.91,1201 2.911,1202 2.958,1203 2.858,1204 2.733,1205 3.766,1206 2.734,1207 2.892,1208 2.933,1209 2.796,1210 2.603,1211 3.708,1212 2.665,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.463,1219 0.142,1220 3.795,1221 0.053,1222 6.726,1223 0.406,1224 4.132,1225 0.11,1226 3.205,1227 3.842,1228 1.443,1229 10.955,1230 2.972,1231 1.903,1232 1.876,1233 2.013,1234 2.022,1235 1.208,1236 2.012,1237 1.781,1238 1.733,1239 1.939,1240 1.988,1241 1.152,1242 1.98,1243 1.558,1244 1.512,1245 1.69,1246 1.8,1247 0.825,1248 1.769,1249 1.452,1250 1.392,1251 1.629,1252 1.652,1253 0.764,1254 1.65,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.739,1260 1.429,1261 1.113,1262 1.055,1263 1.363,1264 1.303,1265 0.476,1266 1.322,1267 0.861,1268 0.805,1269 1.12,1270 1.087,1271 0.213,1272 1.083,1273 0.795,1274 0.739,1275 1.052,1276 1.068,1277 0.161,1278 1.07,1279 4.007,1281 5.333,1282 2.398,1283 6.862,1284 4.727,1285 8.481,1286 6.843,1287 10.147,1291 13.907,1295 2.976,1297 5.34,1300 5.292,1305 26.586,1306 70.686,1307 152.789,1308 185.66,1309 195.66,1310 197.66,1311 197.66,1312 38.954,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.507,1318 3.459,1319 3,1320 33.733,1321 78,1322 76,1323 0.211,1324 160.143,1325 291.49,1326 382.508,1327 16320,1328 2.4,1329 16.518,1330 0.688,1331 0.544,1332 15.648,1333 13.06,1334 11.72,1335 0.434,1336 0.291,1337 7.696,1338 11.054,1339 7.605,1340 6.205,1341 11.31,1342 7.869,1343 10.53,1344 0.277,1345 0.151,1346 10.012,1347 5.739,1348 9.218,1349 0.177,1350 0.081,1351 8.684,1352 4.206,1353 7.771,1354 0.113,1355 0.042,1356 7.49,1357 2.912,1358 6.342,1359 0.072,1360 0.022,1361 6.117,1362 1.952,1363 0.323,1364 74.861,1365 0.233,1366 23.137,1367 0.602,1368 130,1369 460.163,1370 148.776,1371 408.976,1372 551.94,1373 384,1374 155,1375 401.282,1376 174.939,1377 394.841,1378 585.31,1379 372,1380 5.495}
{0 CHEMBL1957845,1 1.724,2 9.292,3 1.631,4 2.661,5 87.592,6 8.009,7 0.222,8 3.855,9 3.968,10 3.492,11 3.333,12 4.976,13 3.354,14 4.419,15 4.589,16 3.863,17 3.727,18 5.553,19 3.734,20 4.637,21 4.84,22 3.865,23 3.846,24 5.737,25 3.815,26 4.632,27 4.865,28 3.781,29 3.795,30 5.741,31 3.737,32 4.548,33 4.781,34 3.705,35 3.703,36 5.616,37 3.652,38 4.491,39 4.696,40 3.7,41 3.646,42 5.638,43 3.638,44 4.43,45 4.622,46 3.629,47 3.601,48 5.713,49 3.559,50 4.347,51 4.591,52 3.286,53 3.446,54 5.375,55 3.347,56 0.082,57 0.71,58 7.432,59 3.447,60 7.542,61 4.279,62 0.427,63 1.137,64 16.006,65 5.643,66 21.26,67 7.065,68 0.516,69 1.33,70 21.786,71 7.261,72 42.806,73 9.461,74 0.56,75 1.263,76 22.584,77 7.393,78 49.209,79 10.255,80 0.505,81 1.162,82 21.176,83 6.831,84 49.702,85 9.451,86 0.504,87 1.079,88 19.29,89 5.525,90 47.466,91 7.121,92 0.651,93 1.075,94 17.813,95 5.886,96 55.277,97 7.537,98 0.329,99 0.87,100 17.96,101 6.485,102 37.882,103 8.652,104 5,105 38,106 0.304,107 0.657,108 0.807,109 0.85,110 0.85,111 0.85,112 3.229,113 0.874,114 -4.18,115 -4.12,116 -3.89,119 41.5,125 5,135 1,137 2,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 5,175 5,183 4,186 1,187 2,195 2,198 5,199 4,211 1,212 6,224 4,232 1,236 3,237 6,245 2,250 2,258 1,263 3,271 1,275 810,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 15.045,282 23.923,283 9.757,284 17.01,285 13.37,286 13.37,287 13.37,288 13.37,289 13.37,290 11.099,291 31.331,292 4.685,293 14.292,294 3.634,295 1.631,296 0.78,297 0.537,298 0.537,299 0.537,300 3.929,303 1,304 1,305 1,306 490,307 2.236,310 49.335,311 199.788,314 89.252,318 1.483,319 28.534,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.5,331 223,332 4.461,333 3.794,334 6.724,335 4.128,336 3.202,337 3.823,338 1.443,339 10.947,340 2.969,341 4.058,342 3.218,343 6.105,344 3.702,345 2.766,346 3.643,347 1.074,348 8.934,349 2.622,350 3.893,351 3.104,352 5.702,353 3.589,354 2.634,355 3.076,356 0.88,357 7.778,358 2.478,359 3.555,360 2.953,361 5.416,362 3.246,363 2.287,364 2.703,365 0.86,366 6.893,367 2.18,368 3.274,369 2.495,370 4.772,371 2.864,372 1.907,373 2.508,374 0.68,375 5.292,376 1.804,377 3.053,378 2.331,379 4.537,380 2.727,381 1.819,382 2.066,383 0.249,384 4.672,385 1.646,386 2.778,387 1.873,388 4.374,389 2.282,390 1.34,391 1.771,392 0.136,393 3.876,394 1.256,395 2.674,396 1.789,397 3.754,398 2.169,399 1.244,400 1.681,402 2.933,403 1.152,404 2.423,405 1.331,406 3.481,407 2.12,408 1.158,409 1.357,411 2.587,412 1.096,413 2.206,414 1.264,415 3.446,416 1.952,417 1,418 1.096,420 2.217,421 0.946,422 2,423 1.256,424 3.247,425 1.827,426 0.887,427 1,428 2.136,429 0.826,430 1.524,431 0.591,432 2.918,433 0.972,438 1.065,439 0.203,440 2.694,441 0.663,442 -0.334,443 -0.462,445 -0.825,446 -0.32,447 0.869,448 0.142,449 2.479,450 0.475,451 -0.43,452 -0.538,454 -1.068,455 -0.379,456 0.687,457 -0.196,458 2,459 0.379,460 -0.573,461 -0.651,463 -1.393,464 -0.547,465 11.052,466 0.461,467 0.554,468 0.023,469 28.75,470 1.198,471 11.5,472 0.479,473 17.25,474 0.719,475 18.437,476 0.768,477 26.148,478 0.638,479 21.524,480 0.897,481 6.101,482 0.254,483 5.602,484 0.233,485 0.056,487 0.335,491 1,493 0.695,494 1.405,495 0.667,496 1.225,497 0.51,498 0.995,499 0.924,500 0.927,501 0.884,502 0.885,503 0.575,504 0.87,505 1.056,506 1.109,507 1.037,508 1.017,509 0.91,510 1.015,511 0.71,512 0.897,513 0.942,514 0.967,515 0.796,516 0.998,517 0.846,518 0.983,519 0.913,520 0.984,521 0.954,522 0.964,523 1.315,524 0.895,525 1.12,526 0.828,527 1.286,528 0.88,529 0.991,530 0.905,531 1.167,532 1.054,533 1.226,534 1.139,535 0.863,536 0.975,537 0.968,538 1.146,539 0.939,540 1.106,541 4.5,542 0.049,543 2.444,544 1.507,545 1.258,546 0.761,547 0.474,548 0.315,549 0.162,550 0.08,551 6440,552 19037,553 2.161,554 41.5,556 15,557 2,564 1.671,565 2.057,566 3.225,567 -0.699,568 1,569 1,571 1,573 70.686,574 1.724,575 3.727,576 4.577,577 4.821,578 4.821,579 4.821,580 2.705,581 4.335,582 4.556,583 3.353,584 925.35,585 7.876,586 10656.1,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.167,595 0.005,596 0.064,597 0.041,598 0.038,599 0.025,600 0.015,601 0.012,602 0.009,603 0.005,604 0.38,605 0.67,606 1,607 0.49,608 112.923,609 -0.042,610 -0.348,611 0.075,612 -0.194,613 -0.018,614 -0.065,615 -0.042,616 0.072,617 -0.015,618 0.055,619 0.02,620 0.026,621 -0.141,622 -0.123,623 -0.107,624 -0.055,625 -0.068,626 -0.068,627 0.068,628 0.018,629 0.007,630 -0.023,631 0.018,632 -0.025,633 0.014,634 -0.025,635 0.056,636 -0.017,637 -0.063,638 0.022,639 -0.291,640 0.008,641 -0.163,642 0.072,643 -0.177,644 0.019,645 0.109,646 0.123,647 -0.213,648 -0.095,649 0.017,650 -0.214,651 -0.018,652 -0.122,653 0.031,654 -0.127,655 -0.02,656 -0.052,657 1.942,658 5.382,659 0.875,660 19.667,661 1.019,662 1.138,663 2.947,664 8.683,665 0.663,666 3.332,667 3.664,668 3.951,669 4.248,670 4.477,671 4.575,672 4.736,673 4.875,674 4.949,675 4.984,676 5.614,677 0.648,678 328.38,679 3.332,680 4.875,681 5.733,682 6.619,683 7.495,684 8.388,685 9.274,686 10.171,687 11.063,688 11.964,689 9.8,692 2,696 1,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 27,737 44,738 17,739 6,740 2,741 4,742 4,746 4,747 5,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,779 1,781 17,782 7,784 7,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,846 1,848 24,854 5,856 1,859 3,869 1,870 4.9,873 1,874 1,877 11.667,878 7.36,879 5.194,880 2.436,881 2.142,882 1.289,883 1.008,884 4.085,885 9.566,886 3.555,887 4.069,888 4.577,889 5.098,890 5.537,891 5.743,892 6.032,893 6.366,894 6.633,895 6.829,896 1,897 37,898 8.912,900 3.885,901 7.889,902 16.87,904 14.009,905 2.389,906 57.333,910 200.109,911 102.216,912 26.158,914 36.145,915 14.96,917 102.216,918 236.254,919 41.119,921 36.721,922 47.381,923 40.849,924 37.669,925 40.401,926 176.567,928 200.109,929 128.375,930 51.105,933 215.069,934 25.145,935 11,937 41.66,938 77.238,939 9.476,941 215.069,942 62.303,943 102.216,946 200.109,947 36.74,948 74.849,950 67.89,951 200.109,952 77.263,953 102.216,955 0.582,956 0.338,957 0.189,958 0.103,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.656,966 202.559,967 0.095,968 21,969 106.039,974 15.364,975 6.381,976 3.106,978 77.263,979 6.426,984 0.544,987 379.588,988 34,993 12.354,995 5.023,996 4.641,997 1.079,999 41.76,1000 46.658,1001 0.322,1002 0.696,1003 0.854,1004 0.9,1005 0.9,1006 0.9,1007 4.816,1008 1.244,1009 5.714,1010 3.876,1011 4.344,1012 4.754,1013 2.363,1014 6.526,1015 4.218,1016 5.992,1017 1.158,1018 7.268,1019 2.933,1020 3.892,1021 4.407,1022 1.104,1023 7.402,1024 3.69,1025 7.282,1026 1,1027 8.921,1028 2.587,1029 5.932,1030 6.784,1031 2.46,1032 10.528,1033 5.679,1034 8.603,1035 0.887,1036 10.636,1037 2.217,1038 6.312,1039 7.231,1040 1.822,1041 12.26,1042 5.973,1043 9.958,1045 12.389,1046 2.136,1047 7.812,1048 9.086,1049 2.786,1050 14.893,1051 7.423,1052 11.334,1053 -0.334,1054 14.171,1056 8.587,1057 9.922,1058 2.537,1059 16.988,1060 8.108,1061 12.729,1062 -0.43,1063 15.973,1064 -0.825,1065 9.865,1066 11.534,1067 3.27,1068 19.451,1069 9.329,1070 3.202,1071 -0.573,1072 17.791,1073 -1.068,1074 10.832,1075 12.578,1076 3.269,1077 21.706,1078 10.207,1079 2.766,1080 10.947,1081 19.622,1082 -1.393,1083 12.019,1084 14.066,1085 3.856,1086 24.113,1087 11.33,1088 2.634,1089 8.934,1090 21.463,1091 3.823,1092 13.079,1093 15.225,1094 4.008,1095 26.439,1096 12.303,1097 2.287,1098 7.778,1099 23.312,1100 3.643,1101 14.234,1102 16.645,1103 4.507,1104 28.828,1105 13.388,1106 1.907,1107 6.893,1108 25.169,1109 3.076,1110 15.338,1111 17.872,1112 4.747,1113 31.187,1114 14.409,1115 1.819,1116 5.292,1117 27.031,1118 2.703,1119 16.485,1120 19.253,1121 5.193,1122 33.573,1123 15.481,1124 1.34,1125 4.672,1126 28.898,1127 2.508,1128 17.613,1129 20.519,1130 5.486,1131 35.947,1132 16.527,1133 6065,1134 10538,1135 18.493,1136 27.199,1137 41.577,1138 42.033,1139 41.395,1140 40.578,1141 40.491,1142 49.45,1143 10.643,1144 116.529,1145 37.95,1146 5.461,1147 5.794,1148 6.526,1149 5.232,1150 5.202,1151 6.823,1152 2.571,1153 18.113,1154 4.969,1155 8.651,1156 1.54,1157 1.557,1158 1.533,1159 1.503,1160 1.5,1161 1.831,1162 0.394,1163 4.316,1164 1.406,1165 4.001,1166 4.049,1167 3.96,1168 3.872,1169 8.201,1170 3.88,1171 3.875,1172 3.91,1173 3.825,1174 3.728,1175 7.429,1176 3.754,1177 3.724,1178 3.78,1179 3.62,1180 3.506,1181 4.828,1182 3.526,1183 3.391,1184 3.431,1185 3.309,1186 3.225,1187 4.632,1188 3.237,1189 3.111,1190 3.206,1191 3.003,1192 2.955,1193 4.593,1194 2.95,1195 3.104,1196 3.168,1197 2.869,1198 2.941,1199 4.252,1200 2.91,1201 2.911,1202 2.956,1203 2.866,1204 2.733,1205 3.762,1206 2.734,1207 2.889,1208 2.933,1209 2.775,1210 2.603,1211 3.708,1212 2.664,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.461,1219 0.142,1220 3.794,1221 0.053,1222 6.724,1223 0.405,1224 4.128,1225 0.11,1226 3.202,1227 3.823,1228 1.443,1229 10.947,1230 2.969,1231 1.904,1232 1.876,1233 2.015,1234 2.022,1235 1.208,1236 2.013,1237 1.781,1238 1.733,1239 1.939,1240 1.988,1241 1.155,1242 1.98,1243 1.558,1244 1.512,1245 1.69,1246 1.8,1247 0.825,1248 1.769,1249 1.45,1250 1.391,1251 1.622,1252 1.653,1253 0.759,1254 1.647,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.734,1260 1.429,1261 1.11,1262 1.053,1263 1.357,1264 1.303,1265 0.472,1266 1.32,1267 0.86,1268 0.804,1269 1.105,1270 1.087,1271 0.213,1272 1.081,1273 0.797,1274 0.74,1275 1.053,1276 1.068,1277 0.146,1278 1.07,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.727,1285 8.468,1286 6.843,1287 10.128,1291 13.382,1295 3.143,1297 5.344,1300 5.397,1305 26.586,1306 70.686,1307 152.789,1308 187.66,1309 197.66,1310 197.66,1311 197.66,1312 37.454,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.487,1318 3.459,1319 3,1320 33.76,1321 79,1322 76,1323 0.208,1324 160.143,1325 291.49,1326 382.508,1327 16320,1328 2.4,1329 16.518,1330 0.688,1331 0.544,1332 15.648,1333 13.06,1334 11.704,1335 0.433,1336 0.291,1337 7.69,1338 11.03,1339 7.596,1340 6.199,1341 11.31,1342 7.863,1343 10.646,1344 0.28,1345 0.152,1346 10.012,1347 5.778,1348 9.004,1349 0.177,1350 0.081,1351 8.684,1352 4.15,1353 7.841,1354 0.114,1355 0.043,1356 7.49,1357 2.934,1358 6.256,1359 0.072,1360 0.022,1361 6.117,1362 1.939,1363 0.32,1364 74.76,1365 0.233,1366 23.2,1367 0.59,1368 130,1369 460.163,1370 148.776,1371 409.194,1372 551.38,1373 384,1374 154,1375 400.282,1376 173.357,1377 394.142,1378 582.5,1379 371,1380 5.301}
{0 CHEMBL1957846,1 1.724,2 9.875,3 1.631,4 2.661,5 87.592,6 8.009,7 0.222,8 3.855,9 3.968,10 3.492,11 3.333,12 4.976,13 3.354,14 4.419,15 4.589,16 3.863,17 3.727,18 5.552,19 3.734,20 4.637,21 4.84,22 3.865,23 3.846,24 5.745,25 3.815,26 4.632,27 4.865,28 3.749,29 3.796,30 5.726,31 3.73,32 4.532,33 4.77,34 3.689,35 3.704,36 5.522,37 3.647,38 4.497,39 4.702,40 3.675,41 3.647,42 5.651,43 3.631,44 4.416,45 4.613,46 3.571,47 3.602,48 5.603,49 3.55,50 4.355,51 4.597,52 3.358,53 3.445,54 5.496,55 3.354,56 0.082,57 0.71,58 7.432,59 3.447,60 7.542,61 4.279,62 0.427,63 1.137,64 16.006,65 5.643,66 21.258,67 7.065,68 0.516,69 1.33,70 21.786,71 7.261,72 43.006,73 9.461,74 0.581,75 1.24,76 22.667,77 7.389,78 51.772,79 10.242,80 0.378,81 1.086,82 20.54,83 6.797,84 37.212,85 9.801,86 0.597,87 1.084,88 19.622,89 5.521,90 55.501,91 7.053,92 0.529,93 0.994,94 17.398,95 5.885,96 44.259,97 7.634,98 0.424,99 0.927,100 18.181,101 6.469,102 44.88,103 8.702,104 5,105 38,106 0.304,107 0.657,108 0.79,109 0.815,110 0.815,111 0.815,112 3.229,113 0.874,114 -4.18,115 -4.12,116 -3.89,119 41.5,125 5,135 1,137 2,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 5,175 5,183 4,186 1,187 2,195 2,198 5,199 5,211 1,212 5,224 6,232 1,236 3,237 4,245 2,250 4,258 2,263 1,275 820,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 15.045,282 23.923,283 9.723,284 17.01,285 13.353,286 13.353,287 13.353,288 13.353,289 13.353,290 11.093,291 30.344,292 4.67,293 14.28,294 3.634,295 1.631,296 0.878,297 0.732,298 0.732,299 0.732,300 3.929,303 1,304 1,305 1,306 522,307 2.236,310 50.065,311 201.095,314 90.467,318 1.479,319 27.927,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.5,331 237,332 4.46,333 3.794,334 6.724,335 4.128,336 3.202,337 3.822,338 1.443,339 10.947,340 2.969,341 4.032,342 3.214,343 6.105,344 3.693,345 2.761,346 3.612,347 1.074,348 8.932,349 2.605,350 3.891,351 3.102,352 5.686,353 3.57,354 2.608,355 3.08,356 0.88,357 7.658,358 2.473,359 3.567,360 2.924,361 5.342,362 3.256,363 2.301,364 2.746,365 0.86,366 6.732,367 2.186,368 3.372,369 2.567,370 4.892,371 2.959,372 2,373 2.61,374 0.68,375 5.646,376 1.894,377 3.054,378 2.335,379 4.537,380 2.727,381 1.819,382 2.066,383 0.249,384 4.672,385 1.646,386 2.776,387 1.887,388 4.397,389 2.264,390 1.333,391 1.705,392 0.136,393 3.913,394 1.236,395 2.5,396 1.789,397 3.754,398 2.14,399 1.234,400 1.5,402 2.933,403 1.108,404 2.452,405 1.33,406 3.446,407 2,408 1,409 1.381,411 2.275,412 1,413 2.208,414 1.256,415 3.414,416 1.952,417 1,418 1.101,420 2.225,421 0.946,422 2,423 1,424 3.247,425 1.831,426 0.893,427 1,428 2.136,429 0.83,430 1.549,431 0.752,432 2.942,433 1.115,434 0.169,435 0.198,436 0.416,437 0.157,438 1.274,439 0.474,440 2.694,441 0.734,442 -0.245,443 -0.345,445 -0.603,446 -0.232,447 0.756,448 -0.025,449 2.482,450 0.469,451 -0.493,452 -0.609,454 -1.276,455 -0.469,456 0.5,457 -0.241,458 2,459 0.256,460 -0.662,461 -0.704,463 -1.633,464 -0.606,465 11.052,466 0.461,467 0.554,468 0.023,469 28.75,470 1.198,471 11.5,472 0.479,473 17.25,474 0.719,475 18.362,476 0.765,477 26.148,478 0.638,479 21.451,480 0.894,481 6.101,482 0.254,483 5.602,484 0.233,485 0.056,487 0.335,491 1,493 0.695,494 1.405,495 0.667,496 1.225,497 0.51,498 0.995,499 0.924,500 0.927,501 0.884,502 0.885,503 0.575,504 0.87,505 1.056,506 1.109,507 1.037,508 1.017,509 0.897,510 1.015,511 0.731,512 0.854,513 0.995,514 0.963,515 0.828,516 1.022,517 0.604,518 0.935,519 0.781,520 0.986,521 0.575,522 0.934,523 1.383,524 0.816,525 1.224,526 0.82,527 1.457,528 0.926,529 0.929,530 0.914,531 1.149,532 1.055,533 1.024,534 1.133,535 0.805,536 0.921,537 0.93,538 1.145,539 0.963,540 1.104,541 4.5,542 0.062,543 2.667,544 1.257,545 1.338,546 0.761,547 0.487,548 0.352,549 0.18,550 0.086,551 6520,552 19549,553 2.161,554 41.5,556 15,557 2,564 1.671,565 2.057,566 3.281,567 -0.699,568 1,569 1,571 1,573 70.686,574 1.724,575 3.727,576 4.48,577 4.626,578 4.626,579 4.626,580 2.721,581 4.252,582 4.554,583 3.393,584 936.342,585 7.869,586 10781,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.167,595 0.006,596 0.07,597 0.034,598 0.042,599 0.025,600 0.016,601 0.014,602 0.009,603 0.006,604 0.388,605 0.67,606 1,607 0.49,608 113.197,609 -0.042,610 -0.348,611 0.075,612 -0.194,613 -0.018,614 -0.065,615 -0.042,616 0.072,617 -0.015,618 0.055,619 0.019,620 0.026,621 -0.141,622 -0.123,623 -0.107,624 -0.055,625 -0.055,626 -0.068,627 0.046,628 0.062,629 -0.048,630 -0.019,631 -0.015,632 -0.05,633 0.043,634 -0.138,635 0.158,636 -0.027,637 0.014,638 0.074,639 -0.28,640 0.148,641 -0.257,642 0.083,643 -0.239,644 -0.036,645 0.003,646 -0.012,647 -0.22,648 -0.101,649 -0.019,650 -0.192,651 0.129,652 -0.002,653 0.082,654 -0.123,655 0.08,656 -0.058,657 1.93,658 5.355,659 0.875,660 20.083,661 1.019,662 1.138,663 2.947,664 8.683,665 0.663,666 3.332,667 3.664,668 3.951,669 4.234,670 4.489,671 4.564,672 4.736,673 4.875,674 4.934,675 5.004,676 5.708,677 0.648,678 328.38,679 3.332,680 4.875,681 5.733,682 6.616,683 7.494,684 8.384,685 9.271,686 10.166,687 11.059,688 11.957,689 9.8,692 2,696 1,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 27,737 44,738 17,739 6,740 2,741 4,742 4,746 4,747 5,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,779 1,781 17,782 7,784 7,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,846 1,848 24,854 5,856 1,859 3,869 1,870 4.9,873 1,874 1,877 11.667,878 7.36,879 5.194,880 2.436,881 2.132,882 1.287,883 1.008,884 4.085,885 9.556,886 3.555,887 4.069,888 4.577,889 5.084,890 5.554,891 5.734,892 6.025,893 6.383,894 6.609,895 6.857,896 0.857,897 37,898 8.904,900 3.875,901 7.889,902 16.87,904 14.009,905 2.389,906 57.333,910 200.109,911 102.216,912 26.158,914 36.145,915 14.96,917 102.216,918 236.254,919 41.119,921 36.721,922 47.381,923 40.849,924 37.669,925 40.401,926 176.567,928 200.109,929 128.375,930 51.105,933 215.069,934 25.145,935 11,937 41.66,938 77.238,939 9.476,941 215.069,942 62.303,943 102.216,946 200.109,947 36.74,948 74.849,950 67.89,951 200.109,952 77.263,953 102.216,955 0.583,956 0.339,957 0.184,958 0.105,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.67,966 201.862,967 0.095,968 21,969 102.039,974 15.364,975 6.381,976 3.106,978 77.263,979 6.325,984 0.681,987 379.588,988 34,993 12.355,995 5.077,996 4.656,997 1.134,999 41.76,1000 46.658,1001 0.322,1002 0.696,1003 0.836,1004 0.863,1005 0.863,1006 0.863,1007 4.816,1008 1.234,1009 5.714,1010 3.913,1011 4.344,1012 4.754,1013 2.363,1014 6.524,1015 4.218,1016 5.992,1017 1,1018 7.268,1019 2.933,1020 3.892,1021 4.407,1022 1.104,1023 7.402,1024 3.69,1025 7.282,1026 1,1027 8.921,1028 2.275,1029 5.932,1030 6.784,1031 2.46,1032 10.519,1033 5.679,1034 8.603,1035 0.893,1036 10.634,1037 2.225,1038 6.312,1039 7.231,1040 1.822,1041 12.253,1042 5.973,1043 9.957,1044 0.169,1045 12.387,1046 2.136,1047 7.81,1048 9.082,1049 2.786,1050 14.882,1051 7.421,1052 11.333,1053 -0.245,1054 14.167,1055 0.416,1056 8.582,1057 9.912,1058 2.537,1059 16.98,1060 8.102,1061 12.727,1062 -0.493,1063 15.968,1064 -0.603,1065 9.859,1066 11.523,1067 3.27,1068 19.443,1069 9.322,1070 3.202,1071 -0.662,1072 17.786,1073 -1.276,1074 10.823,1075 12.557,1076 3.269,1077 21.7,1078 10.196,1079 2.761,1080 10.947,1081 19.616,1082 -1.633,1083 12.01,1084 14.044,1085 3.856,1086 24.107,1087 11.319,1088 2.608,1089 8.932,1090 21.457,1091 3.822,1092 13.069,1093 15.196,1094 4.008,1095 26.434,1096 12.29,1097 2.301,1098 7.658,1099 23.306,1100 3.612,1101 14.224,1102 16.615,1103 4.507,1104 28.824,1105 13.375,1106 2,1107 6.732,1108 25.162,1109 3.08,1110 15.329,1111 17.835,1112 4.747,1113 31.184,1114 14.395,1115 1.819,1116 5.646,1117 27.025,1118 2.746,1119 16.475,1120 19.216,1121 5.193,1122 33.57,1123 15.467,1124 1.333,1125 4.672,1126 28.893,1127 2.61,1128 17.604,1129 20.478,1130 5.486,1131 35.945,1132 16.513,1133 6139,1134 10738,1135 18.493,1136 27.199,1137 41.529,1138 42.053,1139 41.417,1140 40.694,1141 40.64,1142 49.644,1143 10.643,1144 116.969,1145 38.099,1146 5.46,1147 5.794,1148 6.526,1149 5.231,1150 5.202,1151 6.822,1152 2.571,1153 18.111,1154 4.969,1155 8.778,1156 1.538,1157 1.558,1158 1.534,1159 1.507,1160 1.505,1161 1.839,1162 0.394,1163 4.332,1164 1.411,1165 4.001,1166 4.049,1167 3.959,1168 3.872,1169 8.201,1170 3.88,1171 3.875,1172 3.91,1173 3.824,1174 3.728,1175 7.429,1176 3.754,1177 3.724,1178 3.78,1179 3.621,1180 3.506,1181 4.829,1182 3.526,1183 3.392,1184 3.433,1185 3.313,1186 3.225,1187 4.63,1188 3.238,1189 3.114,1190 3.206,1191 3.023,1192 2.954,1193 4.59,1194 2.956,1195 3.111,1196 3.175,1197 2.879,1198 2.941,1199 4.25,1200 2.91,1201 2.912,1202 2.938,1203 2.866,1204 2.735,1205 3.733,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.602,1211 3.674,1212 2.667,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.46,1219 0.142,1220 3.794,1221 0.053,1222 6.724,1223 0.405,1224 4.128,1225 0.11,1226 3.202,1227 3.822,1228 1.443,1229 10.947,1230 2.969,1231 1.904,1232 1.877,1233 2.016,1234 2.022,1235 1.208,1236 2.013,1237 1.781,1238 1.733,1239 1.939,1240 1.988,1241 1.156,1242 1.98,1243 1.558,1244 1.512,1245 1.69,1246 1.8,1247 0.825,1248 1.769,1249 1.449,1250 1.39,1251 1.616,1252 1.653,1253 0.758,1254 1.646,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.73,1260 1.429,1261 1.104,1262 1.049,1263 1.342,1264 1.304,1265 0.466,1266 1.315,1267 0.886,1268 0.821,1269 1.181,1270 1.087,1271 0.218,1272 1.107,1273 0.789,1274 0.734,1275 1.051,1276 1.062,1277 0.21,1278 1.071,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.727,1285 8.466,1286 6.843,1287 10.124,1291 13.05,1295 3.244,1297 5.348,1300 5.464,1305 26.586,1306 70.686,1307 152.789,1308 183.66,1309 189.66,1310 189.66,1311 189.66,1312 36.772,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.481,1318 3.459,1319 3,1320 33.799,1321 80,1322 91,1323 0.205,1324 160.143,1325 291.49,1326 382.508,1327 16320,1328 2.4,1329 16.518,1330 0.688,1331 0.544,1332 15.648,1333 13.06,1334 11.704,1335 0.433,1336 0.291,1337 7.69,1338 11.03,1339 7.597,1340 6.197,1341 11.31,1342 7.863,1343 10.634,1344 0.28,1345 0.152,1346 10.012,1347 5.775,1348 9.095,1349 0.178,1350 0.082,1351 8.684,1352 4.174,1353 7.632,1354 0.112,1355 0.042,1356 7.49,1357 2.888,1358 6.408,1359 0.073,1360 0.022,1361 6.117,1362 1.97,1363 0.317,1364 74.76,1365 0.233,1366 23.271,1367 0.578,1368 130,1369 460.163,1370 148.776,1371 409.129,1372 551.36,1373 384,1374 154,1375 400.282,1376 173.357,1377 394.006,1378 582.23,1379 371,1380 5.301}
{0 CHEMBL1957847,1 1.724,2 9.25,3 2.09,4 4.369,5 92.181,6 8.41,7 0.222,8 3.851,9 3.961,10 3.533,11 3.366,12 4.931,13 3.369,14 4.414,15 4.581,16 3.919,17 3.77,18 5.485,19 3.755,20 4.63,21 4.827,22 3.976,23 3.91,24 5.668,25 3.853,26 4.636,27 4.853,28 3.87,29 3.857,30 5.72,31 3.771,32 4.537,33 4.765,34 3.795,35 3.754,36 5.533,37 3.685,38 4.495,39 4.688,40 3.855,41 3.706,42 5.639,43 3.678,44 4.415,45 4.604,46 3.652,47 3.659,48 5.554,49 3.581,50 4.342,51 4.578,52 3.516,53 3.506,54 5.403,55 3.387,56 0.058,57 0.634,58 6.997,59 3.416,60 5.174,61 4.26,62 0.394,63 1.036,64 15.813,65 5.726,66 19.474,67 7.138,68 0.423,69 1.186,70 22.941,71 7.668,72 30.019,73 9.912,74 0.567,75 1.155,76 26.99,77 7.918,78 45.262,79 10.658,80 0.346,81 1.054,82 22.168,83 7.272,84 31.74,85 9.935,86 0.516,87 0.991,88 21.479,89 5.86,90 44.781,91 7.233,92 0.508,93 0.909,94 18.454,95 6.146,96 41.749,97 7.78,98 0.333,99 0.767,100 19.831,101 6.783,102 38.432,103 9.104,104 5,105 38,106 0.304,107 0.657,108 0.798,109 0.841,110 0.85,111 0.85,112 3.229,113 0.916,114 -4.29,115 -4.23,116 -4,119 41.5,125 5,135 1,137 2,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 5,175 5,183 6,186 1,187 1,195 4,198 5,199 6,207 1,211 1,212 4,224 8,232 1,236 3,237 4,245 1,250 6,258 3,263 3,271 1,275 800,276 16.499,277 16.499,278 16.499,279 16.499,280 16.499,281 15.069,282 22.552,283 9.779,284 17.11,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 11.073,291 28.696,292 4.665,293 14.385,294 3.634,295 1.631,296 0.829,297 0.585,298 0.537,299 0.537,300 3.929,301 1,303 1,304 1,305 1,306 488,307 2.236,310 48.736,311 198.644,314 88.232,318 1.438,319 22.377,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.333,331 222,332 4.463,333 3.795,334 6.726,335 4.131,336 3.205,337 3.842,338 1.443,339 10.955,340 2.97,341 4.166,342 3.28,343 6.118,344 3.764,345 2.824,346 3.75,347 1.074,348 8.978,349 2.639,350 3.897,351 3.133,352 6.034,353 3.623,354 2.703,355 3.07,356 0.88,357 8.609,358 2.477,359 3.542,360 3.044,361 5.58,362 3.226,363 2.266,364 2.682,365 0.86,366 7.085,367 2.158,368 3.06,369 2.354,370 4.538,371 2.727,372 1.82,373 2.108,374 0.68,375 4.673,376 1.646,377 2.933,378 2.183,379 4.521,380 2.522,381 1.554,382 2.054,383 0.249,384 4.33,385 1.501,386 2.852,387 1.794,388 4.091,389 2.347,390 1.414,391 1.98,392 0.136,393 3.438,394 1.249,395 2.758,396 1.741,397 3.754,398 2.206,399 1.283,400 1.689,402 2.963,403 1.178,404 2.424,405 1.475,406 3.597,407 2.127,408 1.201,409 1.359,411 2.92,412 1.099,413 2.207,414 1.329,415 3.446,416 1.952,417 1,418 1.098,420 2.216,421 0.946,422 2,423 1.256,424 3.247,425 1.827,426 0.888,427 1,428 2.136,429 0.826,430 1.549,431 0.644,432 2.921,433 1.088,434 0.164,435 0.195,436 0.399,437 0.138,438 1.266,439 0.455,440 2.694,441 0.718,442 -0.247,443 -0.348,445 -0.61,446 -0.213,447 0.782,448 -0.02,449 2.481,450 0.45,451 -0.489,452 -0.607,454 -1.256,455 -0.427,456 0.659,457 -0.237,458 2,459 0.271,460 -0.632,461 -0.696,463 -1.504,464 -0.566,465 11.481,466 0.478,467 0.538,468 0.022,469 28.75,470 1.198,471 11.5,472 0.479,473 17.25,474 0.719,475 19.401,476 0.808,477 25.719,478 0.627,479 20.759,480 0.865,481 5.986,482 0.249,483 5.734,484 0.239,485 0.091,487 0.322,493 0.761,494 1.632,495 0.578,496 1.111,497 0.538,498 0.945,499 1.038,500 0.957,501 0.746,502 0.782,503 0.646,504 0.824,505 1.078,506 1.161,507 0.921,508 0.942,509 0.901,510 0.96,511 0.82,512 0.951,513 1.167,514 1.069,515 1.014,516 1.073,517 0.802,518 1.124,519 0.77,520 0.935,521 0.872,522 0.899,523 1.537,524 0.957,525 1.055,526 0.843,527 1.865,528 0.881,529 1.107,530 0.945,531 1.075,532 0.995,533 1.463,534 1.113,535 0.648,536 0.976,537 0.768,538 1.117,539 0.75,540 1.061,541 4,542 0.033,543 2.889,544 1.382,545 1.338,546 0.792,547 0.462,548 0.328,549 0.186,550 0.064,551 6360,552 18525,553 2.161,554 41.5,556 15,557 2,564 1.672,565 2.057,566 3.204,567 -0.699,568 1,569 1,571 1,573 70.686,574 1.724,575 3.727,576 4.528,577 4.772,578 4.821,579 4.821,580 2.669,581 4.335,582 4.557,583 3.324,584 917.481,585 7.88,586 10528.3,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.148,595 0.003,596 0.076,597 0.036,598 0.041,599 0.025,600 0.014,601 0.013,602 0.009,603 0.005,604 0.37,605 0.5,606 1,607 0.49,608 112.634,609 -0.042,610 -0.44,611 0.045,612 -0.177,613 -0.017,614 -0.062,615 -0.034,616 0.19,617 -0.001,618 0.111,619 0.003,620 0.044,621 -0.128,622 -0.123,623 -0.031,624 0.004,625 -0.04,626 -0.022,627 0.087,628 0.068,629 -0.127,630 -0.108,631 0.003,632 -0.113,633 0.02,634 -0.135,635 0.108,636 0.017,637 -0.001,638 0.084,639 -0.271,640 0.096,641 -0.092,642 0.065,643 -0.247,644 0.002,645 -0.012,646 0.081,647 -0.193,648 -0.055,649 -0.078,650 -0.191,651 0.205,652 -0.104,653 0.188,654 -0.098,655 0.249,656 -0.008,657 1.751,658 5.401,659 0.875,660 19.25,661 1.014,662 1.128,663 3.065,664 9.393,665 0.686,666 3.332,667 3.664,668 3.97,669 4.248,670 4.489,671 4.575,672 4.745,673 4.89,674 4.942,675 4.984,676 5.529,677 0.659,678 344.83,679 3.332,680 4.875,681 5.74,682 6.624,683 7.507,684 8.399,685 9.291,686 10.187,687 11.084,688 11.984,689 9.8,692 2,696 1,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 27,737 44,738 17,739 6,740 2,741 4,742 4,746 4,747 5,748 1,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 17,782 6,784 7,785 1,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,845 1,848 24,854 5,856 1,859 3,869 1,870 4.9,873 1,874 1,877 11.667,878 7.36,879 5.222,880 2.443,881 2.173,882 1.293,883 1.004,884 4.31,885 9.597,886 3.555,887 4.069,888 4.593,889 5.093,890 5.54,891 5.737,892 6.033,893 6.377,894 6.615,895 6.834,896 1,897 38,898 8.878,900 3.823,901 7.727,902 17.01,904 14.122,905 2.227,906 53.444,910 200.109,911 96.596,912 26.158,913 39.149,914 36.145,917 96.596,918 275.402,919 26.158,921 36.721,922 47.381,923 40.849,924 32.048,925 25.441,926 176.567,927 39.149,928 200.109,929 122.754,930 36.145,931 39.149,933 200.109,934 25.145,935 11,937 41.66,938 71.618,939 48.625,941 200.109,942 62.303,943 135.744,946 200.109,947 31.12,948 74.849,950 92.079,951 200.109,952 62.303,953 135.744,955 0.582,956 0.347,957 0.19,958 0.104,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.639,966 203.592,967 0.095,968 21,969 106.039,974 15.695,975 6.59,976 3.103,978 62.303,979 7.689,984 1.694,987 398.156,988 34,993 12.401,995 5.179,996 4.699,997 1.228,999 41.571,1000 46.262,1001 0.322,1002 0.696,1003 0.845,1004 0.891,1005 0.9,1006 0.9,1007 4.816,1008 1.283,1009 5.72,1010 3.438,1011 4.344,1012 4.754,1013 2.363,1014 6.544,1015 4.201,1016 5.992,1017 1.201,1018 7.284,1019 2.963,1020 3.892,1021 4.407,1022 1.104,1023 7.455,1024 3.644,1025 7.285,1026 1,1027 8.951,1028 2.92,1029 5.943,1030 6.794,1031 2.46,1032 10.583,1033 5.659,1034 8.611,1035 0.888,1036 10.68,1037 2.216,1038 6.347,1039 7.279,1040 1.822,1041 12.34,1042 5.953,1043 9.973,1044 0.164,1045 12.448,1046 2.136,1047 7.846,1048 9.127,1049 2.786,1050 14.967,1051 7.413,1052 11.359,1053 -0.247,1054 14.242,1055 0.399,1056 8.643,1057 10.01,1058 2.537,1059 17.067,1060 8.105,1061 12.763,1062 -0.489,1063 16.055,1064 -0.61,1065 9.918,1066 11.614,1067 3.27,1068 19.524,1069 9.33,1070 3.205,1071 -0.632,1072 17.881,1073 -1.256,1074 10.898,1075 12.7,1076 3.269,1077 21.774,1078 10.213,1079 2.824,1080 10.955,1081 19.718,1082 -1.504,1083 12.083,1084 14.183,1085 3.856,1086 24.173,1087 11.338,1088 2.703,1089 8.978,1090 21.563,1091 3.842,1092 13.148,1093 15.377,1094 4.008,1095 26.493,1096 12.315,1097 2.266,1098 8.609,1099 23.414,1100 3.75,1101 14.301,1102 16.796,1103 4.507,1104 28.876,1105 13.401,1106 1.82,1107 7.085,1108 25.271,1109 3.07,1110 15.407,1111 18.05,1112 4.747,1113 31.229,1114 14.423,1115 1.554,1116 4.673,1117 27.132,1118 2.682,1119 16.551,1120 19.433,1121 5.193,1122 33.61,1123 15.496,1124 1.414,1125 4.33,1126 28.997,1127 2.108,1128 17.678,1129 20.721,1130 5.486,1131 35.98,1132 16.543,1133 5992,1134 10339,1135 18.493,1136 28.12,1137 41.491,1138 42.124,1139 41.586,1140 40.773,1141 40.646,1142 49.654,1143 10.643,1144 117.404,1145 37.659,1146 5.463,1147 5.795,1148 6.528,1149 5.234,1150 5.205,1151 6.842,1152 2.571,1153 18.128,1154 4.97,1155 8.502,1156 1.537,1157 1.56,1158 1.54,1159 1.51,1160 1.505,1161 1.839,1162 0.394,1163 4.348,1164 1.395,1165 4,1166 4.047,1167 4.03,1168 3.887,1169 7.429,1170 3.887,1171 3.872,1172 3.903,1173 3.899,1174 3.732,1175 4.941,1176 3.757,1177 3.723,1178 3.779,1179 3.623,1180 3.507,1181 4.803,1182 3.526,1183 3.389,1184 3.43,1185 3.327,1186 3.225,1187 4.603,1188 3.236,1189 3.111,1190 3.206,1191 3.277,1192 2.959,1193 4.344,1194 2.948,1195 3.098,1196 3.163,1197 2.982,1198 2.941,1199 4.254,1200 2.91,1201 2.905,1202 2.933,1203 2.866,1204 2.795,1205 3.765,1206 2.768,1207 2.878,1208 2.921,1209 2.829,1210 2.606,1211 3.708,1212 2.665,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.463,1219 0.142,1220 3.795,1221 0.053,1222 6.726,1223 0.406,1224 4.131,1225 0.11,1226 3.205,1227 3.842,1228 1.443,1229 10.955,1230 2.97,1231 1.906,1232 1.882,1233 2.004,1234 2.017,1235 1.208,1236 2.007,1237 1.781,1238 1.733,1239 1.939,1240 1.975,1241 1.162,1242 1.978,1243 1.558,1244 1.512,1245 1.69,1246 1.8,1247 0.825,1248 1.769,1249 1.452,1250 1.392,1251 1.629,1252 1.651,1253 0.765,1254 1.649,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.739,1260 1.429,1261 1.114,1262 1.055,1263 1.363,1264 1.302,1265 0.476,1266 1.322,1267 0.868,1268 0.824,1269 1.11,1270 1.086,1271 0.213,1272 1.078,1273 0.797,1274 0.742,1275 1.051,1276 1.024,1277 0.172,1278 1.057,1279 4.007,1281 5.333,1282 2.398,1283 6.862,1284 4.727,1285 8.481,1286 6.843,1287 10.147,1290 6.252,1295 3.361,1297 5.367,1300 5.574,1305 27.03,1306 70.686,1307 152.789,1308 185.66,1309 195.66,1310 197.66,1311 197.66,1312 33.139,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.507,1318 3.459,1319 3,1320 33.733,1321 78,1322 76,1323 0.211,1324 167.277,1325 300.63,1326 399.917,1327 16320,1328 2.4,1329 16.518,1330 0.688,1331 0.576,1332 17.018,1333 13.816,1334 11.72,1335 0.434,1336 0.305,1337 7.752,1338 10.873,1339 7.605,1340 6.205,1341 12.009,1342 8.247,1343 10.53,1344 0.277,1345 0.162,1346 10.9,1347 6.147,1348 9.218,1349 0.177,1350 0.088,1351 9.598,1352 4.575,1353 7.771,1354 0.113,1355 0.045,1356 8.025,1357 3.107,1358 6.342,1359 0.072,1360 0.024,1361 6.56,1362 2.095,1363 0.323,1364 77.17,1365 0.233,1366 23.137,1367 0.602,1368 130,1369 400.255,1370 160.465,1371 408.976,1372 551.94,1373 384,1374 155,1375 384.812,1376 183.157,1377 394.841,1378 585.31,1379 372,1380 5.796}
{0 CHEMBL1957848,1 1.724,2 9.292,3 2.09,4 4.369,5 92.181,6 8.41,7 0.222,8 3.851,9 3.961,10 3.533,11 3.366,12 4.93,13 3.369,14 4.414,15 4.581,16 3.919,17 3.77,18 5.491,19 3.755,20 4.63,21 4.826,22 3.925,23 3.899,24 5.663,25 3.84,26 4.627,27 4.855,28 3.844,29 3.843,30 5.684,31 3.76,32 4.54,33 4.764,34 3.752,35 3.742,36 5.543,37 3.67,38 4.486,39 4.689,40 3.765,41 3.693,42 5.586,43 3.661,44 4.42,45 4.604,46 3.746,47 3.665,48 5.605,49 3.593,50 4.339,51 4.579,52 3.387,53 3.513,54 5.294,55 3.381,56 0.058,57 0.634,58 6.997,59 3.416,60 5.121,61 4.26,62 0.394,63 1.036,64 15.813,65 5.726,66 19.798,67 7.138,68 0.433,69 1.189,70 23.458,71 7.666,72 30.982,73 9.914,74 0.504,75 1.17,76 23.694,77 7.754,78 41.228,79 10.624,80 0.393,81 1.05,82 23.965,83 7.282,84 34.573,85 9.943,86 0.453,87 1.006,88 19.437,89 5.832,90 40.644,91 7.224,92 0.558,93 0.898,94 19.489,95 6.099,96 45.825,97 7.775,98 0.266,99 0.769,100 19.533,101 6.864,102 28.937,103 9.125,104 5,105 38,106 0.304,107 0.657,108 0.807,109 0.85,110 0.85,111 0.85,112 3.229,113 0.916,114 -4.29,115 -4.23,116 -4,119 41.5,125 5,135 1,137 2,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 5,175 5,183 6,186 1,187 2,195 4,198 5,199 4,207 1,211 1,212 7,224 4,232 1,236 3,237 8,245 2,250 2,258 1,263 5,271 2,275 810,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 15.045,282 23.897,283 9.757,284 17.084,285 13.37,286 13.37,287 13.37,288 13.37,289 13.37,290 11.099,291 31.294,292 4.685,293 14.438,294 3.634,295 1.631,296 0.78,297 0.537,298 0.537,299 0.537,300 3.929,301 1,303 1,304 1,305 1,306 490,307 2.236,310 49.335,311 199.788,314 89.252,318 1.483,319 21.997,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.333,331 223,332 4.461,333 3.794,334 6.724,335 4.128,336 3.202,337 3.823,338 1.443,339 10.947,340 2.969,341 4.058,342 3.219,343 6.105,344 3.698,345 2.766,346 3.643,347 1.074,348 8.934,349 2.597,350 3.893,351 3.105,352 5.702,353 3.579,354 2.634,355 3.076,356 0.88,357 7.778,358 2.464,359 3.555,360 2.969,361 5.416,362 3.236,363 2.287,364 2.703,365 0.86,366 6.893,367 2.158,368 3.274,369 2.503,370 4.772,371 2.829,372 1.907,373 2.508,374 0.68,375 5.292,376 1.678,377 3.053,378 2.331,379 4.537,380 2.727,381 1.819,382 2.066,383 0.249,384 4.672,385 1.646,386 2.778,387 1.874,388 4.374,389 2.275,390 1.34,391 1.771,392 0.136,393 3.876,394 1.232,395 2.674,396 1.789,397 3.754,398 2.165,399 1.244,400 1.681,402 2.933,403 1.137,404 2.423,405 1.332,406 3.481,407 2.119,408 1.158,409 1.357,411 2.587,412 1.095,413 2.206,414 1.265,415 3.446,416 1.952,417 1,418 1.096,420 2.217,421 0.946,422 2,423 1.256,424 3.247,425 1.827,426 0.887,427 1,428 2.136,429 0.826,430 1.524,431 0.591,432 2.918,433 0.972,438 1.065,439 0.219,440 2.694,441 0.661,442 -0.334,443 -0.462,445 -0.825,446 -0.254,447 0.869,448 0.143,449 2.479,450 0.423,451 -0.43,452 -0.538,454 -1.068,455 -0.346,456 0.687,457 -0.196,458 2,459 0.343,460 -0.573,461 -0.651,463 -1.393,464 -0.545,465 11.481,466 0.478,467 0.554,468 0.023,469 28.75,470 1.198,471 11.5,472 0.479,473 17.25,474 0.719,475 19.231,476 0.801,477 25.719,478 0.627,479 20.73,480 0.864,481 5.97,482 0.249,483 5.733,484 0.239,485 0.091,487 0.322,493 0.761,494 1.632,495 0.578,496 1.111,497 0.54,498 0.945,499 1.038,500 0.957,501 0.746,502 0.782,503 0.632,504 0.824,505 1.096,506 1.17,507 0.994,508 1.001,509 0.928,510 1.011,511 0.722,512 0.934,513 0.842,514 0.913,515 0.901,516 0.971,517 0.821,518 1.149,519 0.957,520 1.08,521 0.933,522 1.003,523 1.556,524 0.934,525 0.903,526 0.732,527 1.847,528 0.834,529 1.025,530 0.967,531 1.093,532 1.062,533 1.403,534 1.127,535 0.861,536 0.959,537 0.914,538 1.08,539 1.002,540 1.079,541 4.5,542 0.049,543 2.444,544 1.507,545 1.258,546 0.761,547 0.474,548 0.315,549 0.162,550 0.08,551 6440,552 19037,553 2.161,554 41.5,556 15,557 2,564 1.671,565 2.057,566 3.225,567 -0.699,568 1,569 1,571 1,573 70.686,574 1.724,575 3.727,576 4.577,577 4.821,578 4.821,579 4.821,580 2.705,581 4.335,582 4.556,583 3.353,584 925.35,585 7.876,586 10656.1,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.167,595 0.005,596 0.064,597 0.041,598 0.038,599 0.025,600 0.015,601 0.012,602 0.009,603 0.005,604 0.38,605 0.5,606 1,607 0.49,608 112.923,609 -0.042,610 -0.44,611 0.045,612 -0.177,613 -0.019,614 -0.062,615 -0.034,616 0.19,617 -0.001,618 0.111,619 0.017,620 0.044,621 -0.146,622 -0.133,623 -0.106,624 -0.057,625 -0.067,626 -0.074,627 0.104,628 0.093,629 0.009,630 0.017,631 0.051,632 -0.012,633 0.03,634 -0.164,635 -0.012,636 -0.119,637 -0.038,638 -0.021,639 -0.357,640 0.125,641 -0.094,642 0.15,643 -0.282,644 0.047,645 0.107,646 0.055,647 -0.128,648 -0.108,649 0.013,650 -0.204,651 -0.013,652 -0.087,653 0.04,654 -0.06,655 -0.009,656 -0.028,657 1.744,658 5.393,659 0.875,660 19.667,661 1.014,662 1.128,663 3.065,664 9.393,665 0.686,666 3.332,667 3.664,668 3.951,669 4.248,670 4.477,671 4.575,672 4.736,673 4.875,674 4.949,675 4.984,676 5.614,677 0.659,678 344.83,679 3.332,680 4.875,681 5.733,682 6.619,683 7.495,684 8.388,685 9.274,686 10.171,687 11.063,688 11.964,689 9.8,692 2,696 1,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 27,737 44,738 17,739 6,740 2,741 4,742 4,746 4,747 5,748 1,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 17,782 6,784 7,785 1,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,845 1,848 24,854 5,856 1,859 3,869 1,870 4.9,873 1,874 1,877 11.667,878 7.36,879 5.194,880 2.436,881 2.142,882 1.289,883 1.004,884 4.31,885 9.566,886 3.555,887 4.069,888 4.577,889 5.098,890 5.537,891 5.743,892 6.032,893 6.366,894 6.633,895 6.829,896 1,897 37,898 8.874,900 3.817,901 7.727,902 17.01,904 14.117,905 2.227,906 53.444,910 200.109,911 96.596,912 26.158,913 39.149,914 36.145,917 96.596,918 275.402,919 26.158,921 36.721,922 47.381,923 40.849,924 32.048,925 25.441,926 176.567,927 39.149,928 200.109,929 122.754,930 36.145,931 39.149,933 200.109,934 25.145,935 11,937 41.66,938 71.618,939 48.625,941 200.109,942 62.303,943 135.744,946 200.109,947 31.12,948 74.849,950 92.079,951 200.109,952 62.303,953 135.744,955 0.582,956 0.338,957 0.189,958 0.103,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.656,966 202.559,967 0.095,968 21,969 104.039,974 15.695,975 6.59,976 3.23,978 62.303,979 7.689,984 1.759,987 398.156,988 34,993 12.393,995 5.202,996 4.702,997 1.254,999 41.571,1000 46.262,1001 0.322,1002 0.696,1003 0.854,1004 0.9,1005 0.9,1006 0.9,1007 4.816,1008 1.244,1009 5.714,1010 3.876,1011 4.344,1012 4.754,1013 2.363,1014 6.526,1015 4.201,1016 5.992,1017 1.158,1018 7.268,1019 2.933,1020 3.892,1021 4.407,1022 1.104,1023 7.402,1024 3.644,1025 7.282,1026 1,1027 8.921,1028 2.587,1029 5.932,1030 6.784,1031 2.46,1032 10.528,1033 5.654,1034 8.603,1035 0.887,1036 10.636,1037 2.217,1038 6.312,1039 7.231,1040 1.822,1041 12.26,1042 5.932,1043 9.958,1045 12.389,1046 2.136,1047 7.812,1048 9.086,1049 2.786,1050 14.893,1051 7.394,1052 11.334,1053 -0.334,1054 14.171,1056 8.587,1057 9.922,1058 2.537,1059 16.988,1060 8.073,1061 12.729,1062 -0.43,1063 15.973,1064 -0.825,1065 9.865,1066 11.534,1067 3.27,1068 19.451,1069 9.3,1070 3.202,1071 -0.573,1072 17.791,1073 -1.068,1074 10.832,1075 12.578,1076 3.269,1077 21.706,1078 10.175,1079 2.766,1080 10.947,1081 19.622,1082 -1.393,1083 12.019,1084 14.066,1085 3.856,1086 24.113,1087 11.301,1088 2.634,1089 8.934,1090 21.463,1091 3.823,1092 13.079,1093 15.225,1094 4.008,1095 26.439,1096 12.274,1097 2.287,1098 7.778,1099 23.312,1100 3.643,1101 14.234,1102 16.645,1103 4.507,1104 28.828,1105 13.361,1106 1.907,1107 6.893,1108 25.169,1109 3.076,1110 15.338,1111 17.872,1112 4.747,1113 31.187,1114 14.382,1115 1.819,1116 5.292,1117 27.031,1118 2.703,1119 16.485,1120 19.253,1121 5.193,1122 33.573,1123 15.456,1124 1.34,1125 4.672,1126 28.898,1127 2.508,1128 17.613,1129 20.519,1130 5.486,1131 35.947,1132 16.503,1133 6065,1134 10538,1135 18.493,1136 28.12,1137 41.577,1138 42.047,1139 41.395,1140 40.704,1141 40.491,1142 49.45,1143 10.643,1144 116.529,1145 37.496,1146 5.461,1147 5.794,1148 6.526,1149 5.232,1150 5.202,1151 6.823,1152 2.571,1153 18.113,1154 4.969,1155 8.651,1156 1.54,1157 1.557,1158 1.533,1159 1.508,1160 1.5,1161 1.831,1162 0.394,1163 4.316,1164 1.389,1165 4,1166 4.047,1167 4.019,1168 3.885,1169 7.429,1170 3.886,1171 3.872,1172 3.903,1173 3.904,1174 3.732,1175 4.945,1176 3.757,1177 3.723,1178 3.779,1179 3.628,1180 3.507,1181 4.808,1182 3.526,1183 3.39,1184 3.43,1185 3.392,1186 3.228,1187 4.604,1188 3.238,1189 3.111,1190 3.206,1191 3.242,1192 2.971,1193 4.341,1194 2.958,1195 3.101,1196 3.163,1197 2.959,1198 2.941,1199 4.237,1200 2.91,1201 2.906,1202 2.933,1203 2.866,1204 2.789,1205 3.76,1206 2.763,1207 2.876,1208 2.921,1209 2.816,1210 2.604,1211 3.708,1212 2.665,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.461,1219 0.142,1220 3.794,1221 0.053,1222 6.724,1223 0.405,1224 4.128,1225 0.11,1226 3.202,1227 3.823,1228 1.443,1229 10.947,1230 2.969,1231 1.907,1232 1.882,1233 2.007,1234 2.018,1235 1.208,1236 2.008,1237 1.781,1238 1.733,1239 1.939,1240 1.976,1241 1.162,1242 1.979,1243 1.558,1244 1.512,1245 1.69,1246 1.799,1247 0.825,1248 1.769,1249 1.451,1250 1.392,1251 1.619,1252 1.647,1253 0.763,1254 1.645,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.737,1260 1.429,1261 1.111,1262 1.055,1263 1.356,1264 1.298,1265 0.474,1266 1.318,1267 0.868,1268 0.824,1269 1.087,1270 1.086,1271 0.213,1272 1.077,1273 0.799,1274 0.742,1275 1.051,1276 1.019,1277 0.163,1278 1.051,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.727,1285 8.468,1286 6.843,1287 10.128,1290 6.057,1295 3.417,1297 5.367,1300 5.604,1305 27.03,1306 70.686,1307 152.789,1308 187.66,1309 197.66,1310 197.66,1311 197.66,1312 32.528,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.487,1318 3.459,1319 3,1320 33.76,1321 79,1322 76,1323 0.208,1324 167.277,1325 300.63,1326 399.917,1327 16320,1328 2.4,1329 16.518,1330 0.688,1331 0.576,1332 17.018,1333 13.816,1334 11.704,1335 0.433,1336 0.305,1337 7.746,1338 10.84,1339 7.596,1340 6.199,1341 11.992,1342 8.241,1343 10.646,1344 0.28,1345 0.164,1346 11.054,1347 6.214,1348 9.004,1349 0.177,1350 0.086,1351 9.266,1352 4.385,1353 7.841,1354 0.114,1355 0.046,1356 8.11,1357 3.146,1358 6.256,1359 0.072,1360 0.024,1361 6.422,1362 2.046,1363 0.32,1364 77.069,1365 0.233,1366 23.2,1367 0.59,1368 130,1369 400.255,1370 160.465,1371 409.194,1372 551.38,1373 384,1374 154,1375 383.812,1376 180.205,1377 394.142,1378 582.5,1379 371,1380 5.398}
{0 CHEMBL1957849,1 1.724,2 9.875,3 2.09,4 4.369,5 92.181,6 8.41,7 0.222,8 3.851,9 3.961,10 3.533,11 3.366,12 4.93,13 3.369,14 4.414,15 4.581,16 3.919,17 3.77,18 5.49,19 3.755,20 4.63,21 4.826,22 3.925,23 3.899,24 5.668,25 3.84,26 4.627,27 4.855,28 3.786,29 3.832,30 5.679,31 3.746,32 4.53,33 4.766,34 3.723,35 3.726,36 5.499,37 3.658,38 4.49,39 4.688,40 3.72,41 3.68,42 5.595,43 3.646,44 4.411,45 4.605,46 3.646,47 3.651,48 5.549,49 3.575,50 4.345,51 4.578,52 3.509,53 3.52,54 5.36,55 3.396,56 0.058,57 0.634,58 6.997,59 3.416,60 5.121,61 4.26,62 0.394,63 1.036,64 15.813,65 5.726,66 19.745,67 7.138,68 0.433,69 1.189,70 23.458,71 7.666,72 31.306,73 9.914,74 0.514,75 1.173,76 24.212,77 7.752,78 42.191,79 10.626,80 0.33,81 1.066,82 20.67,83 7.118,84 30.539,85 9.909,86 0.5,87 1.003,88 21.234,89 5.843,90 43.477,91 7.232,92 0.495,93 0.913,94 17.446,95 6.071,96 41.688,97 7.766,98 0.316,99 0.758,100 20.568,101 6.816,102 33.013,103 9.12,104 5,105 38,106 0.304,107 0.657,108 0.79,109 0.815,110 0.815,111 0.815,112 3.229,113 0.916,114 -4.29,115 -4.23,116 -4,119 41.5,125 5,135 1,137 2,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 5,175 5,183 6,186 1,187 2,195 4,198 5,199 5,207 1,211 1,212 5,224 7,232 1,236 3,237 4,245 2,250 6,258 2,263 1,275 820,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 15.045,282 23.897,283 9.723,284 17.084,285 13.353,286 13.353,287 13.353,288 13.353,289 13.353,290 11.093,291 30.323,292 4.67,293 14.43,294 3.634,295 1.631,296 0.878,297 0.732,298 0.732,299 0.732,300 3.929,301 1,303 1,304 1,305 1,306 522,307 2.236,310 50.065,311 201.095,314 90.467,318 1.479,319 21.741,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.333,331 237,332 4.46,333 3.794,334 6.724,335 4.128,336 3.202,337 3.822,338 1.443,339 10.947,340 2.969,341 4.032,342 3.214,343 6.105,344 3.691,345 2.761,346 3.612,347 1.074,348 8.932,349 2.589,350 3.891,351 3.102,352 5.686,353 3.561,354 2.608,355 3.08,356 0.88,357 7.658,358 2.46,359 3.567,360 2.942,361 5.342,362 3.243,363 2.301,364 2.746,365 0.86,366 6.732,367 2.158,368 3.372,369 2.573,370 4.892,371 2.924,372 2,373 2.61,374 0.68,375 5.646,376 1.753,377 3.054,378 2.335,379 4.537,380 2.727,381 1.819,382 2.066,383 0.249,384 4.672,385 1.646,386 2.776,387 1.888,388 4.397,389 2.262,390 1.333,391 1.705,392 0.136,393 3.913,394 1.228,395 2.5,396 1.789,397 3.754,398 2.14,399 1.234,400 1.5,402 2.933,403 1.107,404 2.452,405 1.33,406 3.446,407 2,408 1,409 1.381,411 2.275,412 1,413 2.208,414 1.256,415 3.414,416 1.952,417 1,418 1.101,420 2.225,421 0.946,422 2,423 1,424 3.247,425 1.83,426 0.893,427 1,428 2.136,429 0.829,430 1.549,431 0.759,432 2.942,433 1.089,434 0.169,435 0.198,436 0.416,437 0.141,438 1.274,439 0.479,440 2.694,441 0.721,442 -0.245,443 -0.345,445 -0.603,446 -0.212,447 0.756,448 -0.02,449 2.482,450 0.454,451 -0.493,452 -0.609,454 -1.276,455 -0.436,456 0.5,457 -0.239,458 2,459 0.231,460 -0.662,461 -0.704,463 -1.633,464 -0.577,465 11.481,466 0.478,467 0.554,468 0.023,469 28.75,470 1.198,471 11.5,472 0.479,473 17.25,474 0.719,475 19.108,476 0.796,477 25.719,478 0.627,479 20.705,480 0.863,481 5.97,482 0.249,483 5.733,484 0.239,485 0.091,487 0.322,493 0.761,494 1.632,495 0.578,496 1.111,497 0.54,498 0.945,499 1.038,500 0.957,501 0.746,502 0.782,503 0.633,504 0.824,505 1.096,506 1.17,507 0.994,508 1.001,509 0.917,510 1.011,511 0.74,512 0.943,513 0.914,514 0.971,515 0.928,516 1.022,517 0.715,518 1.131,519 0.603,520 0.91,521 0.811,522 0.893,523 1.578,524 0.963,525 1.108,526 0.892,527 1.914,528 0.948,529 1.046,530 0.943,531 0.931,532 0.944,533 1.383,534 1.077,535 0.776,536 0.983,537 0.932,538 1.149,539 0.94,540 1.094,541 4.5,542 0.062,543 2.667,544 1.257,545 1.338,546 0.761,547 0.487,548 0.352,549 0.18,550 0.086,551 6520,552 19549,553 2.161,554 41.5,556 15,557 2,564 1.671,565 2.057,566 3.281,567 -0.699,568 1,569 1,571 1,573 70.686,574 1.724,575 3.727,576 4.48,577 4.626,578 4.626,579 4.626,580 2.721,581 4.252,582 4.554,583 3.393,584 936.342,585 7.869,586 10781,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.167,595 0.006,596 0.07,597 0.034,598 0.042,599 0.025,600 0.016,601 0.014,602 0.009,603 0.006,604 0.388,605 0.5,606 1,607 0.49,608 113.197,609 -0.042,610 -0.44,611 0.045,612 -0.177,613 -0.019,614 -0.062,615 -0.034,616 0.19,617 -0.001,618 0.111,619 0.016,620 0.044,621 -0.146,622 -0.133,623 -0.106,624 -0.057,625 -0.055,626 -0.074,627 0.086,628 0.083,629 -0.065,630 -0.043,631 0.024,632 -0.064,633 0.048,634 -0.137,635 0.135,636 0.016,637 0.014,638 0.088,639 -0.346,640 0.094,641 -0.225,642 0.001,643 -0.323,644 -0.068,645 0.016,646 0.086,647 -0.13,648 -0.018,649 -0.025,650 -0.156,651 0.109,652 -0.114,653 0.106,654 -0.115,655 0.083,656 -0.041,657 1.739,658 5.387,659 0.875,660 20.083,661 1.014,662 1.128,663 3.065,664 9.393,665 0.686,666 3.332,667 3.664,668 3.951,669 4.234,670 4.489,671 4.564,672 4.736,673 4.875,674 4.934,675 5.004,676 5.708,677 0.659,678 344.83,679 3.332,680 4.875,681 5.733,682 6.616,683 7.494,684 8.384,685 9.271,686 10.166,687 11.059,688 11.957,689 9.8,692 2,696 1,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 27,737 44,738 17,739 6,740 2,741 4,742 4,746 4,747 5,748 1,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 17,782 6,784 7,785 1,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,845 1,848 24,854 5,856 1,859 3,869 1,870 4.9,873 1,874 1,877 11.667,878 7.36,879 5.194,880 2.436,881 2.132,882 1.287,883 1.004,884 4.31,885 9.556,886 3.555,887 4.069,888 4.577,889 5.084,890 5.554,891 5.734,892 6.025,893 6.383,894 6.609,895 6.857,896 0.857,897 37,898 8.872,900 3.814,901 7.727,902 17.01,904 14.117,905 2.227,906 53.444,910 200.109,911 96.596,912 26.158,913 39.149,914 36.145,917 96.596,918 275.402,919 26.158,921 36.721,922 47.381,923 40.849,924 32.048,925 25.441,926 176.567,927 39.149,928 200.109,929 122.754,930 36.145,931 39.149,933 200.109,934 25.145,935 11,937 41.66,938 71.618,939 48.625,941 200.109,942 62.303,943 135.744,946 200.109,947 31.12,948 74.849,950 92.079,951 200.109,952 62.303,953 135.744,955 0.583,956 0.339,957 0.184,958 0.105,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.67,966 201.862,967 0.095,968 21,969 100.039,974 15.695,975 6.59,976 3.23,978 62.303,979 7.675,984 1.809,987 398.156,988 34,993 12.387,995 5.218,996 4.704,997 1.273,999 41.571,1000 46.262,1001 0.322,1002 0.696,1003 0.836,1004 0.863,1005 0.863,1006 0.863,1007 4.816,1008 1.234,1009 5.714,1010 3.913,1011 4.344,1012 4.754,1013 2.363,1014 6.524,1015 4.201,1016 5.992,1017 1,1018 7.268,1019 2.933,1020 3.892,1021 4.407,1022 1.104,1023 7.402,1024 3.644,1025 7.282,1026 1,1027 8.921,1028 2.275,1029 5.932,1030 6.784,1031 2.46,1032 10.519,1033 5.654,1034 8.603,1035 0.893,1036 10.634,1037 2.225,1038 6.312,1039 7.231,1040 1.822,1041 12.253,1042 5.932,1043 9.957,1044 0.169,1045 12.387,1046 2.136,1047 7.81,1048 9.082,1049 2.786,1050 14.882,1051 7.393,1052 11.333,1053 -0.245,1054 14.167,1055 0.416,1056 8.582,1057 9.912,1058 2.537,1059 16.98,1060 8.069,1061 12.727,1062 -0.493,1063 15.968,1064 -0.603,1065 9.859,1066 11.523,1067 3.27,1068 19.443,1069 9.296,1070 3.202,1071 -0.662,1072 17.786,1073 -1.276,1074 10.823,1075 12.557,1076 3.269,1077 21.7,1078 10.169,1079 2.761,1080 10.947,1081 19.616,1082 -1.633,1083 12.01,1084 14.044,1085 3.856,1086 24.107,1087 11.296,1088 2.608,1089 8.932,1090 21.457,1091 3.822,1092 13.069,1093 15.196,1094 4.008,1095 26.434,1096 12.267,1097 2.301,1098 7.658,1099 23.306,1100 3.612,1101 14.224,1102 16.615,1103 4.507,1104 28.824,1105 13.354,1106 2,1107 6.732,1108 25.162,1109 3.08,1110 15.329,1111 17.835,1112 4.747,1113 31.184,1114 14.375,1115 1.819,1116 5.646,1117 27.025,1118 2.746,1119 16.475,1120 19.216,1121 5.193,1122 33.57,1123 15.449,1124 1.333,1125 4.672,1126 28.893,1127 2.61,1128 17.604,1129 20.478,1130 5.486,1131 35.945,1132 16.496,1133 6139,1134 10738,1135 18.493,1136 28.12,1137 41.529,1138 42.083,1139 41.417,1140 40.784,1141 40.64,1142 49.644,1143 10.643,1144 116.969,1145 37.651,1146 5.46,1147 5.794,1148 6.526,1149 5.231,1150 5.202,1151 6.822,1152 2.571,1153 18.111,1154 4.969,1155 8.778,1156 1.538,1157 1.559,1158 1.534,1159 1.511,1160 1.505,1161 1.839,1162 0.394,1163 4.332,1164 1.394,1165 4,1166 4.047,1167 4.015,1168 3.885,1169 7.429,1170 3.885,1171 3.872,1172 3.903,1173 3.907,1174 3.733,1175 4.946,1176 3.757,1177 3.723,1178 3.779,1179 3.63,1180 3.508,1181 4.81,1182 3.526,1183 3.391,1184 3.43,1185 3.415,1186 3.23,1187 4.604,1188 3.24,1189 3.111,1190 3.206,1191 3.232,1192 2.99,1193 4.339,1194 2.974,1195 3.106,1196 3.162,1197 2.932,1198 2.941,1199 4.224,1200 2.91,1201 2.908,1202 2.932,1203 2.866,1204 2.735,1205 3.729,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.614,1211 3.674,1212 2.673,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.46,1219 0.142,1220 3.794,1221 0.053,1222 6.724,1223 0.405,1224 4.128,1225 0.11,1226 3.202,1227 3.822,1228 1.443,1229 10.947,1230 2.969,1231 1.907,1232 1.882,1233 2.007,1234 2.018,1235 1.208,1236 2.009,1237 1.781,1238 1.733,1239 1.939,1240 1.976,1241 1.162,1242 1.979,1243 1.558,1244 1.512,1245 1.69,1246 1.799,1247 0.825,1248 1.768,1249 1.45,1250 1.393,1251 1.612,1252 1.644,1253 0.761,1254 1.642,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.735,1260 1.429,1261 1.107,1262 1.056,1263 1.336,1264 1.292,1265 0.47,1266 1.31,1267 0.886,1268 0.821,1269 1.181,1270 1.081,1271 0.218,1272 1.107,1273 0.792,1274 0.744,1275 1.051,1276 1.062,1277 0.21,1278 1.068,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.727,1285 8.466,1286 6.843,1287 10.124,1290 5.936,1295 3.452,1297 5.368,1300 5.624,1305 27.03,1306 70.686,1307 152.789,1308 183.66,1309 189.66,1310 189.66,1311 189.66,1312 32.326,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.481,1318 3.459,1319 3,1320 33.799,1321 80,1322 91,1323 0.205,1324 167.277,1325 300.63,1326 399.917,1327 16320,1328 2.4,1329 16.518,1330 0.688,1331 0.576,1332 17.018,1333 13.816,1334 11.704,1335 0.433,1336 0.305,1337 7.746,1338 10.84,1339 7.597,1340 6.197,1341 11.992,1342 8.241,1343 10.634,1344 0.28,1345 0.163,1346 11.042,1347 6.211,1348 9.095,1349 0.178,1350 0.087,1351 9.383,1352 4.426,1353 7.632,1354 0.112,1355 0.044,1356 7.799,1357 3.014,1358 6.408,1359 0.073,1360 0.024,1361 6.643,1362 2.131,1363 0.317,1364 77.069,1365 0.233,1366 23.271,1367 0.578,1368 130,1369 400.255,1370 160.465,1371 409.129,1372 551.36,1373 384,1374 154,1375 383.812,1376 180.205,1377 394.006,1378 582.23,1379 371,1380 5.398}
{0 CHEMBL1957850,1 1.562,2 9.25,3 1.912,4 3.655,5 92.417,6 7.373,7 0.222,8 3.904,9 4.025,10 3.482,11 3.396,12 4.948,13 3.393,14 4.472,15 4.657,16 3.844,17 3.795,18 5.486,19 3.774,20 4.674,21 4.878,22 3.866,23 3.939,24 5.659,25 3.88,26 4.725,27 4.958,28 3.78,29 3.921,30 5.729,31 3.823,32 4.695,33 4.96,34 3.715,35 3.823,36 5.587,37 3.734,38 4.572,39 4.783,40 3.716,41 3.757,42 5.629,43 3.716,44 4.542,45 4.76,46 3.565,47 3.72,48 5.609,49 3.635,50 4.433,51 4.686,52 3.308,53 3.57,54 5.356,55 3.439,56 0.012,57 0.683,58 9.208,59 3.744,60 5.122,61 5.104,62 0.347,63 1.11,64 18.66,65 6.166,66 20.541,67 8.523,68 0.298,69 1.293,70 23.285,71 7.803,72 25.583,73 11.118,74 0.406,75 1.321,76 25.142,77 8.481,78 40.145,79 12.448,80 0.302,81 1.223,82 25.548,83 8.037,84 31.908,85 12.171,86 0.339,87 1.12,88 21.784,89 6.297,90 37.683,91 8.927,92 0.499,93 1.062,94 21.244,95 6.466,96 44.316,97 9.261,98 0.145,99 0.879,100 19.356,101 7.229,102 26.082,103 10.255,104 5,105 38,106 0.271,107 0.618,108 0.788,109 0.819,110 0.835,111 0.843,112 3.229,113 0.909,114 -4.03,115 -3.98,116 -3.77,119 40.9,120 1,125 5,135 1,137 2,139 1,142 4,143 2,158 1,159 1,172 7,174 5,175 5,183 8,186 1,187 2,195 5,198 5,199 6,207 1,211 1,212 6,224 8,232 1,236 3,237 6,245 2,250 6,258 3,263 3,271 1,275 800,276 16.499,277 16.499,278 16.499,279 16.499,280 16.499,281 15.069,282 23.153,283 9.779,284 17,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 11.073,291 29.73,292 4.665,293 14.148,294 3.898,295 1.904,296 0.926,297 0.744,298 0.654,299 0.608,300 3.929,303 1,304 1,305 1,306 488,307 2.236,310 48.736,311 198.644,314 88.232,318 1.438,319 19.096,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 222,332 4.463,333 3.794,334 6.726,335 4.132,336 3.205,337 3.842,338 1.443,339 10.955,340 2.977,341 4.166,342 3.234,343 6.118,344 3.805,345 2.824,346 3.75,347 1.074,348 8.978,349 2.783,350 3.897,351 3.11,352 6.034,353 3.634,354 2.703,355 3.07,356 0.88,357 8.609,358 2.496,359 3.542,360 2.927,361 5.58,362 3.235,363 2.266,364 2.682,365 0.86,366 7.085,367 2.18,368 3.06,369 2.347,370 4.538,371 2.727,372 1.82,373 2.108,374 0.68,375 4.673,376 1.647,377 2.933,378 2.08,379 4.521,380 2.539,381 1.554,382 2.054,383 0.249,384 4.33,385 1.527,386 2.852,387 1.792,388 4.091,389 2.414,390 1.414,391 1.98,392 0.136,393 3.438,394 1.414,395 2.758,396 1.589,397 3.754,398 2.209,399 1.283,400 1.689,402 2.963,403 1.187,404 2.424,405 1.462,406 3.597,407 2.127,408 1.201,409 1.359,411 2.92,412 1.099,413 2.207,414 1.329,415 3.446,416 1.952,417 1,418 1.098,420 2.216,421 0.946,422 2,423 1.256,424 3.247,425 1.828,426 0.888,427 1,428 2.136,429 0.827,430 1.549,431 0.619,432 2.921,433 1.146,434 0.164,435 0.195,436 0.399,437 0.161,438 1.266,439 0.35,440 2.694,441 0.75,442 -0.247,443 -0.348,445 -0.61,446 -0.242,447 0.782,448 -0.112,449 2.481,450 0.496,451 -0.489,452 -0.607,454 -1.256,455 -0.48,456 0.659,457 -0.307,458 2,459 0.329,460 -0.632,461 -0.696,463 -1.504,464 -0.604,465 11.267,466 0.469,467 0.538,468 0.022,469 28.5,470 1.188,471 11.5,472 0.479,473 17,474 0.708,475 19.509,476 0.813,477 25.933,478 0.589,479 20.651,480 0.86,481 5.954,482 0.248,483 5.766,484 0.24,485 0.074,487 0.328,493 0.799,494 1.627,495 0.755,496 1.24,497 0.568,498 1.026,499 1.089,500 0.933,501 0.912,502 0.843,503 0.658,504 0.844,505 1.085,506 1.188,507 1.031,508 1.042,509 0.913,510 1.027,511 0.677,512 1.065,513 1.029,514 1.104,515 0.909,516 1.115,517 0.772,518 0.996,519 0.796,520 0.875,521 0.805,522 0.834,523 1.621,524 1.045,525 1.151,526 0.897,527 1.923,528 0.929,529 1.206,530 0.897,531 1.273,532 0.983,533 1.49,534 1.099,535 0.753,536 1.038,537 0.924,538 1.176,539 0.856,540 1.1,541 4,542 0.033,543 2.889,544 1.382,545 1.338,546 0.792,547 0.462,548 0.328,549 0.186,550 0.064,551 6360,552 15543,553 2.161,554 45.5,555 3,556 15,557 2,564 1.672,565 2.057,566 3.204,567 -0.74,568 1,569 1,571 1,573 68.718,574 1.562,575 3.556,576 4.533,577 4.715,578 4.806,579 4.851,580 2.669,581 4.335,582 4.557,583 3.324,584 917.481,585 7.88,586 10528.3,588 1,590 1,591 240.215,592 1.281,593 4.532,594 0.148,595 0.003,596 0.076,597 0.036,598 0.041,599 0.025,600 0.014,601 0.013,602 0.009,603 0.005,604 0.37,605 0.67,606 1,607 0.49,608 112.634,609 -0.01,610 -0.418,611 0.091,612 -0.184,613 -0.017,614 -0.058,615 0.03,616 0.207,617 0.035,618 0.115,619 0.022,620 0.075,621 -0.101,622 -0.125,623 -0.086,624 -0.061,625 -0.041,626 -0.072,627 0.148,628 -0.031,629 -0.079,630 -0.137,631 0.05,632 -0.147,633 0.054,634 -0.034,635 0.192,636 0.08,637 0.032,638 0.15,639 -0.307,640 0.011,641 -0.153,642 0.027,643 -0.25,644 -0.022,645 -0.016,646 0.153,647 -0.29,648 -0.048,649 -0.069,650 -0.177,651 0.045,652 -0.149,653 0.043,654 -0.151,655 0.113,656 -0.066,657 1.718,658 5.427,659 0.875,660 19.25,661 1.003,662 1.13,663 2.797,664 7.823,665 0.66,666 3.332,667 3.664,668 3.97,669 4.248,670 4.489,671 4.575,672 4.745,673 4.89,674 4.942,675 4.984,676 5.529,677 0.63,678 324.42,679 3.332,680 4.875,681 5.74,682 6.624,683 7.507,684 8.399,685 9.291,686 10.187,687 11.084,688 11.984,689 9.1,692 2,696 1,698 1,704 4,709 2,711 6,731 44,733 10,734 1,735 27,737 47,738 18,739 6,740 2,741 4,742 4,746 4,747 5,750 1,752 1,761 12,762 6,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 20,782 6,784 6,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 1,848 24,854 5,856 1,859 3,870 4.5,873 1,874 1,877 11.667,878 8.217,879 5.222,880 2.657,881 2.173,882 1.293,883 1,884 4.126,885 9.597,886 3.555,887 4.069,888 4.593,889 5.093,890 5.54,891 5.737,892 6.033,893 6.377,894 6.615,895 6.834,896 1,897 38,898 8.892,900 3.798,901 7.639,902 17.223,904 14.287,905 2.139,906 51.333,910 235.422,911 105.106,912 26.158,914 36.145,917 105.106,918 271.567,919 26.158,920 8.825,921 36.721,922 47.381,923 40.849,924 31.733,925 25.441,926 211.88,928 235.422,929 131.264,930 36.145,933 235.422,934 25.145,935 11,937 50.486,938 71.303,939 9.476,941 235.422,942 62.303,943 105.106,946 235.422,947 30.805,948 83.674,950 52.93,951 235.422,952 62.303,953 105.106,955 0.582,956 0.347,957 0.19,958 0.104,959 20,960 8,961 0.064,962 3,963 1,964 1.095,965 3.639,966 203.592,967 0.095,968 21,969 102.039,974 15.425,975 6.42,976 3.005,978 62.303,979 8.272,984 2.456,987 402.831,988 34,993 12.427,995 5.307,996 4.742,997 1.352,999 44.131,1000 49.734,1001 0.286,1002 0.651,1003 0.83,1004 0.864,1005 0.88,1006 0.889,1007 4.816,1008 1.283,1009 5.72,1010 3.438,1011 4.344,1012 4.754,1013 2.363,1014 6.544,1015 4.236,1016 5.992,1017 1.201,1018 7.284,1019 2.963,1020 3.892,1021 4.407,1022 1.104,1023 7.455,1024 3.734,1025 7.285,1026 1,1027 8.951,1028 2.92,1029 5.943,1030 6.794,1031 2.46,1032 10.583,1033 5.722,1034 8.611,1035 0.888,1036 10.68,1037 2.216,1038 6.347,1039 7.279,1040 1.822,1041 12.34,1042 6.068,1043 9.973,1044 0.164,1045 12.448,1046 2.136,1047 7.846,1048 9.127,1049 2.786,1050 14.967,1051 7.508,1052 11.359,1053 -0.247,1054 14.242,1055 0.399,1056 8.643,1057 10.01,1058 2.537,1059 17.067,1060 8.24,1061 12.763,1062 -0.489,1063 16.055,1064 -0.61,1065 9.918,1066 11.614,1067 3.27,1068 19.524,1069 9.456,1070 3.205,1071 -0.632,1072 17.881,1073 -1.256,1074 10.898,1075 12.7,1076 3.269,1077 21.774,1078 10.366,1079 2.824,1080 10.955,1081 19.718,1082 -1.504,1083 12.083,1084 14.183,1085 3.856,1086 24.173,1087 11.489,1088 2.703,1089 8.978,1090 21.563,1091 3.842,1092 13.148,1093 15.377,1094 4.008,1095 26.493,1096 12.482,1097 2.266,1098 8.609,1099 23.414,1100 3.75,1101 14.301,1102 16.796,1103 4.507,1104 28.876,1105 13.569,1106 1.82,1107 7.085,1108 25.271,1109 3.07,1110 15.407,1111 18.05,1112 4.747,1113 31.229,1114 14.602,1115 1.554,1116 4.673,1117 27.132,1118 2.682,1119 16.551,1120 19.433,1121 5.193,1122 33.61,1123 15.676,1124 1.414,1125 4.33,1126 28.997,1127 2.108,1128 17.678,1129 20.721,1130 5.486,1131 35.98,1132 16.727,1133 5992,1134 9493,1135 18.493,1136 29.023,1137 41.491,1138 41.851,1139 41.586,1140 40.65,1141 40.646,1142 49.654,1143 10.643,1144 117.404,1145 38.486,1146 5.463,1147 5.794,1148 6.528,1149 5.236,1150 5.205,1151 6.842,1152 2.571,1153 18.128,1154 4.977,1155 8.502,1156 1.537,1157 1.55,1158 1.54,1159 1.506,1160 1.505,1161 1.839,1162 0.394,1163 4.348,1164 1.425,1165 4.008,1166 4.054,1167 3.962,1168 3.9,1169 7.429,1170 3.901,1171 3.885,1172 3.922,1173 3.826,1174 3.734,1175 4.838,1176 3.761,1177 3.724,1178 3.781,1179 3.62,1180 3.507,1181 4.715,1182 3.526,1183 3.39,1184 3.431,1185 3.305,1186 3.226,1187 4.602,1188 3.236,1189 3.171,1190 3.257,1191 2.994,1192 3.03,1193 4.256,1194 3.007,1195 3.111,1196 3.206,1197 2.952,1198 2.941,1199 3.9,1200 2.924,1201 3.089,1202 3.158,1203 2.866,1204 2.936,1205 3.762,1206 2.91,1207 2.902,1208 2.933,1209 2.824,1210 2.612,1211 3.708,1212 2.666,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.463,1219 0.142,1220 3.794,1221 0.053,1222 6.726,1223 0.406,1224 4.132,1225 0.11,1226 3.205,1227 3.842,1228 1.443,1229 10.955,1230 2.977,1231 1.937,1232 1.909,1233 2.061,1234 2.031,1235 1.218,1236 2.038,1237 1.781,1238 1.733,1239 1.94,1240 1.998,1241 1.205,1242 1.984,1243 1.558,1244 1.513,1245 1.69,1246 1.8,1247 0.825,1248 1.769,1249 1.455,1250 1.394,1251 1.635,1252 1.657,1253 0.785,1254 1.655,1255 1.209,1256 1.13,1257 1.552,1258 1.418,1259 0.744,1260 1.469,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.602,1266 1.429,1267 1.107,1268 1.045,1269 1.361,1270 1.301,1271 0.476,1272 1.321,1273 0.814,1274 0.753,1275 1.076,1276 1.086,1277 0.213,1278 1.076,1279 4.007,1281 5.333,1282 2.398,1283 6.862,1284 4.727,1285 8.481,1286 6.843,1287 10.147,1289 2.097,1295 3.57,1297 5.382,1300 5.728,1305 27.73,1306 68.718,1307 156.458,1308 199.46,1309 207.46,1310 211.46,1311 213.46,1312 31.292,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.507,1318 3.459,1319 3,1320 33.733,1321 78,1322 76,1323 0.211,1324 168.537,1325 302.72,1326 402.99,1327 16320,1329 16.518,1330 0.688,1331 0.57,1332 16.518,1333 13.682,1334 11.72,1335 0.434,1336 0.303,1337 8.033,1338 11.165,1339 7.85,1340 6.458,1341 11.72,1342 8.18,1343 10.53,1344 0.277,1345 0.16,1346 10.53,1347 6.075,1348 9.218,1349 0.177,1350 0.087,1351 9.218,1352 4.51,1353 7.771,1354 0.113,1355 0.045,1356 7.771,1357 3.073,1358 6.342,1359 0.072,1360 0.024,1361 6.342,1362 2.07,1363 0.323,1364 73.995,1365 0.233,1366 23.137,1367 0.602,1368 130,1369 374.052,1370 144.945,1371 355.593,1372 493.02,1373 336,1374 155,1375 367.949,1376 171.446,1377 369.722,1378 546.91,1379 348,1380 5.398}
{0 CHEMBL1957851,1 1.562,2 9.292,3 1.912,4 3.655,5 92.417,6 7.373,7 0.222,8 3.904,9 4.025,10 3.482,11 3.396,12 4.948,13 3.393,14 4.472,15 4.657,16 3.844,17 3.795,18 5.489,19 3.774,20 4.674,21 4.878,22 3.849,23 3.932,24 5.663,25 3.868,26 4.722,27 4.969,28 3.766,29 3.897,30 5.709,31 3.801,32 4.615,33 4.853,34 3.697,35 3.795,36 5.554,37 3.711,38 4.601,39 4.838,40 3.68,41 3.731,42 5.613,43 3.688,44 4.473,45 4.667,46 3.589,47 3.706,48 5.583,49 3.629,50 4.476,51 4.738,52 3.272,53 3.583,54 5.366,55 3.447,56 0.012,57 0.683,58 9.208,59 3.744,60 5.011,61 5.104,62 0.347,63 1.11,64 18.66,65 6.166,66 20.405,67 8.523,68 0.295,69 1.29,70 23.264,71 7.799,72 26.871,73 11.118,74 0.436,75 1.294,76 25.623,77 8.397,78 40.571,79 12.442,80 0.224,81 1.165,82 22.636,83 7.587,84 28.442,85 11.227,86 0.411,87 1.118,88 23.299,89 6.222,90 39.798,91 9.06,92 0.413,93 1.01,94 19.156,95 6.442,96 41.279,97 8.983,98 0.227,99 0.921,100 20.55,101 7.025,102 29.452,103 10.131,104 5,105 38,106 0.271,107 0.618,108 0.796,109 0.835,110 0.843,111 0.843,112 3.229,113 0.908,114 -4.03,115 -3.98,116 -3.77,119 40.9,120 1,125 5,135 1,137 2,139 1,142 4,143 2,158 1,159 1,172 7,174 5,175 5,183 8,186 1,187 2,195 5,198 5,199 5,207 1,211 1,212 7,224 6,232 1,236 3,237 8,245 2,250 4,258 2,263 5,271 2,275 810,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 15.045,282 24.721,283 9.757,284 16.947,285 13.37,286 13.37,287 13.37,288 13.37,289 13.37,290 11.099,291 32.623,292 4.685,293 14.171,294 3.898,295 1.904,296 0.881,297 0.654,298 0.608,299 0.608,300 3.929,303 1,304 1,305 1,306 490,307 2.236,310 49.335,311 199.788,314 89.252,318 1.483,319 19.205,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 223,332 4.461,333 3.794,334 6.724,335 4.128,336 3.202,337 3.823,338 1.443,339 10.947,340 2.97,341 4.058,342 3.214,343 6.105,344 3.709,345 2.766,346 3.643,347 1.074,348 8.934,349 2.662,350 3.893,351 3.101,352 5.702,353 3.602,354 2.634,355 3.076,356 0.88,357 7.778,358 2.492,359 3.555,360 2.796,361 5.416,362 3.258,363 2.287,364 2.703,365 0.86,366 6.893,367 2.208,368 3.274,369 2.364,370 4.772,371 2.903,372 1.907,373 2.508,374 0.68,375 5.292,376 1.896,377 3.053,378 2.283,379 4.537,380 2.727,381 1.819,382 2.066,383 0.249,384 4.672,385 1.646,386 2.778,387 1.841,388 4.374,389 2.289,390 1.34,391 1.771,392 0.136,393 3.876,394 1.269,395 2.674,396 1.788,397 3.754,398 2.172,399 1.244,400 1.681,402 2.933,403 1.157,404 2.423,405 1.331,406 3.481,407 2.121,408 1.158,409 1.357,411 2.587,412 1.097,413 2.206,414 1.256,415 3.446,416 1.952,417 1,418 1.096,420 2.217,421 0.946,422 2,423 1.231,424 3.247,425 1.827,426 0.887,427 1,428 2.136,429 0.826,430 1.524,431 0.589,432 2.918,433 0.972,438 1.065,439 0.15,440 2.694,441 0.669,442 -0.334,443 -0.462,445 -0.825,446 -0.33,447 0.869,448 -0.132,449 2.479,450 0.568,451 -0.43,452 -0.538,454 -1.068,455 -0.428,456 0.687,457 -0.198,458 2,459 0.39,460 -0.573,461 -0.651,463 -1.393,464 -0.55,465 11.267,466 0.469,467 0.554,468 0.023,469 28.5,470 1.188,471 11.5,472 0.479,473 17,474 0.708,475 19.331,476 0.805,477 25.933,478 0.589,479 20.631,480 0.86,481 5.938,482 0.247,483 5.765,484 0.24,485 0.074,487 0.328,493 0.799,494 1.627,495 0.755,496 1.24,497 0.57,498 1.026,499 1.089,500 0.933,501 0.912,502 0.843,503 0.651,504 0.844,505 1.088,506 1.221,507 1.064,508 1.084,509 0.935,510 1.07,511 0.676,512 0.929,513 0.943,514 0.96,515 0.885,516 0.981,517 0.763,518 1.229,519 0.893,520 1.103,521 0.876,522 1.028,523 1.664,524 0.811,525 1.096,526 0.684,527 1.876,528 0.76,529 1.082,530 1.096,531 1.219,532 1.145,533 1.466,534 1.194,535 0.943,536 0.908,537 1.057,538 1.06,539 1.013,540 1.07,541 4.5,542 0.049,543 2.444,544 1.507,545 1.258,546 0.761,547 0.474,548 0.315,549 0.162,550 0.08,551 6440,552 15671,553 2.161,554 45.5,555 3,556 15,557 2,564 1.671,565 2.057,566 3.225,567 -0.74,568 1,569 1,571 1,573 68.718,574 1.562,575 3.556,576 4.579,577 4.806,578 4.851,579 4.851,580 2.705,581 4.335,582 4.556,583 3.353,584 925.35,585 7.876,586 10656.1,588 1,590 1,591 240.215,592 1.281,593 4.532,594 0.167,595 0.005,596 0.064,597 0.041,598 0.038,599 0.025,600 0.015,601 0.012,602 0.009,603 0.005,604 0.38,605 0.67,606 1,607 0.49,608 112.923,609 -0.01,610 -0.418,611 0.091,612 -0.184,613 -0.019,614 -0.058,615 0.03,616 0.207,617 0.035,618 0.115,619 0.03,620 0.075,621 -0.105,622 -0.159,623 -0.12,624 -0.105,625 -0.06,626 -0.116,627 0.161,628 0.084,629 0.025,630 -0.002,631 0.08,632 -0.011,633 0.057,634 -0.233,635 0.066,636 -0.125,638 -0.044,639 -0.324,640 0.219,641 -0.066,642 0.212,643 -0.235,644 0.141,645 0.072,646 -0.046,647 -0.263,648 -0.168,649 0.001,650 -0.251,651 -0.073,652 0.009,653 -0.074,654 -0.074,655 -0.037,656 -0.067,657 1.718,658 5.414,659 0.875,660 19.667,661 1.003,662 1.13,663 2.797,664 7.823,665 0.66,666 3.332,667 3.664,668 3.951,669 4.248,670 4.477,671 4.575,672 4.736,673 4.875,674 4.949,675 4.984,676 5.614,677 0.63,678 324.42,679 3.332,680 4.875,681 5.733,682 6.619,683 7.495,684 8.388,685 9.274,686 10.171,687 11.063,688 11.964,689 9.1,692 2,696 1,698 1,704 4,709 2,711 6,731 44,733 10,734 1,735 27,737 47,738 18,739 6,740 2,741 4,742 4,746 4,747 5,750 1,752 1,761 12,762 6,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 20,782 6,784 6,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 1,848 24,854 5,856 1,859 3,870 4.5,873 1,874 1,877 11.667,878 8.217,879 5.194,880 2.65,881 2.142,882 1.289,883 1,884 4.126,885 9.566,886 3.555,887 4.069,888 4.577,889 5.098,890 5.537,891 5.743,892 6.032,893 6.366,894 6.633,895 6.829,896 1,897 37,898 8.892,900 3.798,901 7.639,902 17.223,904 14.283,905 2.139,906 51.333,910 235.422,911 105.106,912 26.158,914 36.145,917 105.106,918 271.567,919 26.158,920 8.825,921 36.721,922 47.381,923 40.849,924 31.733,925 25.441,926 211.88,928 235.422,929 131.264,930 36.145,933 235.422,934 25.145,935 11,937 50.486,938 71.303,939 9.476,941 235.422,942 62.303,943 105.106,946 235.422,947 30.805,948 83.674,950 52.93,951 235.422,952 62.303,953 105.106,955 0.582,956 0.338,957 0.189,958 0.103,959 20,960 8,961 0.064,962 3,963 1,964 1.095,965 3.656,966 202.559,967 0.095,968 21,969 101.284,974 15.425,975 6.42,976 3.129,978 62.303,979 8.375,984 2.419,987 402.831,988 34,993 12.414,995 5.3,996 4.735,997 1.35,999 44.131,1000 49.734,1001 0.286,1002 0.651,1003 0.839,1004 0.88,1005 0.889,1006 0.889,1007 4.816,1008 1.244,1009 5.714,1010 3.876,1011 4.344,1012 4.754,1013 2.363,1014 6.526,1015 4.236,1016 5.992,1017 1.158,1018 7.268,1019 2.933,1020 3.892,1021 4.407,1022 1.104,1023 7.402,1024 3.734,1025 7.282,1026 1,1027 8.921,1028 2.587,1029 5.932,1030 6.784,1031 2.46,1032 10.528,1033 5.709,1034 8.603,1035 0.887,1036 10.636,1037 2.217,1038 6.312,1039 7.231,1040 1.822,1041 12.26,1042 6.021,1043 9.958,1045 12.389,1046 2.136,1047 7.812,1048 9.086,1049 2.786,1050 14.893,1051 7.461,1052 11.334,1053 -0.334,1054 14.171,1056 8.587,1057 9.922,1058 2.537,1059 16.988,1060 8.156,1061 12.729,1062 -0.43,1063 15.973,1064 -0.825,1065 9.865,1066 11.534,1067 3.27,1068 19.451,1069 9.371,1070 3.202,1071 -0.573,1072 17.791,1073 -1.068,1074 10.832,1075 12.578,1076 3.269,1077 21.706,1078 10.254,1079 2.766,1080 10.947,1081 19.622,1082 -1.393,1083 12.019,1084 14.066,1085 3.856,1086 24.113,1087 11.374,1088 2.634,1089 8.934,1090 21.463,1091 3.823,1092 13.079,1093 15.225,1094 4.008,1095 26.439,1096 12.348,1097 2.287,1098 7.778,1099 23.312,1100 3.643,1101 14.234,1102 16.645,1103 4.507,1104 28.828,1105 13.431,1106 1.907,1107 6.893,1108 25.169,1109 3.076,1110 15.338,1111 17.872,1112 4.747,1113 31.187,1114 14.452,1115 1.819,1116 5.292,1117 27.031,1118 2.703,1119 16.485,1120 19.253,1121 5.193,1122 33.573,1123 15.523,1124 1.34,1125 4.672,1126 28.898,1127 2.508,1128 17.613,1129 20.519,1130 5.486,1131 35.947,1132 16.568,1133 6065,1134 9590,1135 18.493,1136 29.023,1137 41.577,1138 41.948,1139 41.395,1140 40.475,1141 40.491,1142 49.45,1143 10.643,1144 116.529,1145 38.338,1146 5.461,1147 5.794,1148 6.526,1149 5.232,1150 5.202,1151 6.823,1152 2.571,1153 18.113,1154 4.97,1155 8.651,1156 1.54,1157 1.554,1158 1.533,1159 1.499,1160 1.5,1161 1.831,1162 0.394,1163 4.316,1164 1.42,1165 4.006,1166 4.053,1167 3.96,1168 3.897,1169 7.429,1170 3.898,1171 3.885,1172 3.922,1173 3.825,1174 3.735,1175 4.838,1176 3.762,1177 3.726,1178 3.783,1179 3.621,1180 3.509,1181 4.714,1182 3.528,1183 3.4,1184 3.444,1185 3.312,1186 3.236,1187 4.602,1188 3.246,1189 3.2,1190 3.274,1191 3.039,1192 3.065,1193 4.256,1194 3.048,1195 3.111,1196 3.206,1197 2.921,1198 2.941,1199 3.903,1200 2.91,1201 3.044,1202 3.117,1203 2.866,1204 2.889,1205 3.755,1206 2.874,1207 2.901,1208 2.933,1209 2.805,1210 2.606,1211 3.708,1212 2.666,1213 0.165,1214 0.141,1215 0.249,1216 0.153,1217 0.119,1218 4.461,1219 0.142,1220 3.794,1221 0.053,1222 6.724,1223 0.405,1224 4.128,1225 0.11,1226 3.202,1227 3.823,1228 1.443,1229 10.947,1230 2.97,1231 1.935,1232 1.906,1233 2.06,1234 2.029,1235 1.21,1236 2.036,1237 1.781,1238 1.733,1239 1.94,1240 1.997,1241 1.2,1242 1.985,1243 1.558,1244 1.513,1245 1.691,1246 1.801,1247 0.831,1248 1.77,1249 1.47,1250 1.408,1251 1.667,1252 1.671,1253 0.825,1254 1.672,1255 1.222,1256 1.153,1257 1.52,1258 1.417,1259 0.748,1260 1.459,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.573,1266 1.429,1267 1.07,1268 1.002,1269 1.344,1270 1.275,1271 0.452,1272 1.298,1273 0.808,1274 0.749,1275 1.058,1276 1.086,1277 0.213,1278 1.076,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.727,1285 8.468,1286 6.843,1287 10.128,1289 2.08,1295 3.566,1297 5.38,1300 5.717,1305 27.73,1306 68.718,1307 156.458,1308 201.46,1309 211.46,1310 213.46,1311 213.46,1312 31.163,1313 7.424,1314 51.77,1315 51.77,1316 23,1317 12.487,1318 3.459,1319 3,1320 33.76,1321 79,1322 76,1323 0.208,1324 168.537,1325 302.72,1326 402.99,1327 16320,1329 16.518,1330 0.688,1331 0.57,1332 16.518,1333 13.682,1334 11.704,1335 0.433,1336 0.303,1337 8.027,1338 11.149,1339 7.84,1340 6.457,1341 11.704,1342 8.174,1343 10.646,1344 0.28,1345 0.162,1346 10.646,1347 6.137,1348 9.004,1349 0.177,1350 0.085,1351 9.004,1352 4.343,1353 7.841,1354 0.114,1355 0.045,1356 7.841,1357 3.109,1358 6.256,1359 0.072,1360 0.023,1361 6.256,1362 2.027,1363 0.32,1364 73.894,1365 0.233,1366 23.2,1367 0.59,1368 130,1369 374.052,1370 144.945,1371 355.958,1372 492.58,1373 336,1374 154,1375 366.949,1376 170.446,1377 369.349,1378 545.36,1379 347,1380 5.398}
{0 CHEMBL1957852,1 1.839,2 10.185,3 2.368,4 5.607,5 93.35,6 8.6,7 0.2,8 3.934,9 4.043,10 3.611,11 3.39,12 5.097,13 3.431,14 4.53,15 4.693,16 4.072,17 3.788,18 6.138,19 3.823,20 4.703,21 4.893,22 4.024,23 3.924,24 5.908,25 3.915,26 4.774,27 5,28 3.969,29 3.887,30 6.033,31 3.864,32 4.659,33 4.878,34 3.906,35 3.785,36 5.855,37 3.773,38 4.66,39 4.877,40 3.829,41 3.723,42 5.93,43 3.731,44 4.507,45 4.686,46 3.811,47 3.697,48 5.82,49 3.688,50 4.548,51 4.78,52 3.731,53 3.57,54 5.937,55 3.544,56 0.212,57 0.886,58 6.768,59 3.825,60 27.894,61 4.285,62 1.096,63 1.711,64 17.178,65 6.351,66 139.753,67 7.15,68 0.733,69 1.552,70 20.962,71 7.903,72 52.93,73 9.853,74 1.009,75 1.604,76 25.829,77 8.587,78 105.329,79 10.598,80 0.765,81 1.44,82 22.372,83 7.714,84 86.858,85 9.875,86 1.181,87 1.319,88 24.061,89 6.329,90 123.336,91 7.255,92 0.713,93 1.268,94 16.961,95 6.562,96 61.144,97 7.759,98 0.943,99 1.3,100 21.845,101 7.105,102 88.726,103 9.056,104 18,105 44,106 0.32,107 0.658,108 0.796,109 0.835,110 0.843,111 0.843,112 3.34,113 0.849,114 -4.64,115 -4.56,116 -4.29,119 40.9,125 5,132 1,135 1,137 2,139 1,142 4,143 2,158 1,159 1,172 6,174 5,175 5,183 6,186 1,187 2,195 3,198 5,199 5,211 1,212 6,224 6,232 1,236 3,237 6,245 2,250 4,258 2,263 3,271 1,275 1086,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 16.608,282 26.751,283 10.397,284 18.67,285 14.844,286 14.844,287 14.844,288 14.844,289 14.844,290 12.637,291 35.306,292 4.969,293 16.131,294 3.62,295 1.673,296 0.881,297 0.654,298 0.608,299 0.608,300 4.034,303 1,304 1,305 1,306 595,307 3.317,310 57.525,311 233.859,314 104.657,318 1.613,319 47.132,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 275,332 4.473,333 4.46,334 7.116,335 4.185,336 3.321,337 3.877,338 3.825,339 11.69,340 2.975,341 4.439,342 3.794,343 6.724,344 4.122,345 3.2,346 3.805,347 1.443,348 10.946,349 2.895,350 3.937,351 3.212,352 6.105,353 3.675,354 2.754,355 3.148,356 1.074,357 8.932,358 2.531,359 3.767,360 3.1,361 5.685,362 3.467,363 2.508,364 3.009,365 0.88,366 7.653,367 2.371,368 3.52,369 2.704,370 5.311,371 3.163,372 2.196,373 2.671,374 0.86,375 6.65,376 2.102,377 3.058,378 2.341,379 4.566,380 2.727,381 1.819,382 2.093,383 0.68,384 4.674,385 1.646,386 2.942,387 2.054,388 4.537,389 2.536,390 1.588,391 2.044,392 0.249,393 4.558,394 1.475,395 2.766,396 1.794,397 4.347,398 2.23,399 1.304,400 1.694,401 0.136,402 3.793,403 1.201,404 2.573,405 1.73,406 3.754,407 2.136,408 1.223,409 1.601,411 2.933,412 1.105,413 2.422,414 1.33,415 3.49,416 2.087,417 1.108,418 1.357,420 2.537,421 1.074,422 2.206,423 1.256,424 3.446,425 1.952,426 1,427 1.096,428 2.217,429 0.946,430 2,431 1.185,432 3.247,433 1.827,434 0.887,435 1,436 2.136,437 0.826,438 1.524,439 0.589,440 2.937,441 0.972,447 1.046,448 0.51,449 2.717,450 0.66,451 -0.344,452 -0.477,454 -0.913,455 -0.338,456 0.715,457 0.51,458 2.692,459 0.405,460 -0.56,461 -0.647,463 -1.363,464 -0.54,465 12.124,466 0.449,467 0.843,468 0.031,469 30.75,470 1.139,471 11.5,472 0.426,473 19.25,474 0.713,475 22.523,476 0.834,477 30.476,478 0.693,479 26.385,480 0.977,481 6.577,482 0.244,483 6.338,484 0.235,485 0.098,486 0.041,487 0.305,490 3,493 0.629,494 1.207,495 0.604,496 1.232,497 0.554,498 1,499 0.619,500 0.689,501 0.766,502 0.834,503 0.384,504 0.853,505 0.72,506 0.958,507 0.88,508 1.078,509 0.541,510 1.058,511 0.861,512 0.915,513 0.993,514 0.957,515 0.894,516 1.004,517 0.779,518 1.048,519 0.847,520 1.098,521 0.767,522 1.028,523 1.29,524 0.699,525 1.281,526 0.671,527 1.325,528 0.858,529 0.782,530 0.966,531 1.003,532 1.143,533 0.786,534 1.167,535 0.818,536 0.833,537 0.909,538 1.058,539 0.945,540 1.054,541 6.5,542 0.153,543 3.333,544 1.882,545 1.556,546 1.004,547 0.596,548 0.452,549 0.305,550 0.219,551 8693,552 31256,553 2.088,554 38.6,556 15,557 2,564 1.702,565 1.94,566 3.339,567 -0.659,568 1,569 1,573 80.915,574 1.839,575 3.786,576 4.579,577 4.806,578 4.851,579 4.851,580 2.756,581 4.282,582 4.728,583 3.503,584 1229.42,585 8.215,586 15550.8,588 1,590 1,591 240.215,592 1.596,593 4.673,594 0.217,595 0.008,596 0.076,597 0.044,598 0.04,599 0.027,600 0.018,601 0.014,602 0.011,603 0.01,604 0.464,605 0.5,606 1,607 0.76,608 132.961,609 -0.051,610 -0.251,611 0.052,612 -0.179,613 -0.063,614 -0.064,615 0.257,616 0.309,617 0.071,618 0.125,619 0.366,620 0.04,621 -0.064,622 -0.171,623 -0.034,624 -0.112,625 0.024,626 -0.076,627 -0.045,628 -0.019,629 -0.042,630 -0.005,631 -0.056,632 -0.014,633 -0.033,634 -0.208,635 0.085,636 -0.13,637 -0.032,638 -0.013,639 -0.26,640 0.244,641 -0.297,642 0.223,643 -0.252,644 0.042,645 -0.018,646 -0.141,647 -0.145,648 -0.176,649 -0.016,650 -0.208,651 0.148,652 0.107,653 0.12,654 -0.075,655 0.046,656 -0.031,657 5.645,658 5.396,659 0.778,660 23.506,661 1.038,662 1.153,663 3.412,664 11.639,665 0.655,666 3.434,667 3.807,668 4.06,669 4.331,670 4.575,671 4.663,672 4.86,673 4.963,674 5.069,675 5.17,676 6.199,677 0.656,678 378.39,679 3.434,680 5.004,681 5.861,682 6.76,683 7.638,684 8.539,685 9.425,686 10.327,687 11.219,688 12.122,689 9.1,692 2,696 1,698 1,704 4,709 2,711 6,731 44,733 10,734 1,735 30,737 47,738 18,739 6,740 2,741 4,742 4,746 4,747 5,750 1,752 1,757 1,761 12,762 6,766 4,771 1,773 3,774 1,775 3,777 1,778 1,779 3,781 17,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,846 3,848 27,854 5,856 1,859 3,860 1,869 3,870 4.5,873 1,874 1,877 13.917,878 7.895,879 5.694,880 2.57,881 2.212,882 1.288,883 1.001,884 4.704,885 9.902,886 3.638,887 4.167,888 4.666,889 5.177,890 5.638,891 5.856,892 6.196,893 6.447,894 6.722,895 7.004,896 0.857,897 43,898 10.451,900 4.988,901 8.262,902 18.471,904 15.377,905 2.762,906 74.583,909 1,910 200.109,911 104.04,912 26.158,914 36.145,915 44.88,917 104.04,918 236.254,919 71.039,921 36.721,922 47.381,923 40.849,924 76.614,925 25.441,926 176.567,927 7.76,928 200.109,929 130.199,930 81.025,933 200.109,934 70.025,935 11,937 49.42,938 71.303,939 9.476,941 244.989,942 62.303,943 104.04,946 207.868,947 30.805,948 74.849,950 97.811,951 200.109,952 107.184,953 104.04,955 0.597,956 0.338,957 0.178,958 0.099,959 23,960 10,961 0.064,962 3,963 1,964 1.095,965 3.824,966 238.485,967 0.095,968 21,969 119.627,974 18.083,975 7.024,976 3.73,978 107.184,979 5.148,984 -0.218,987 411.333,988 37,993 12.396,995 4.682,996 4.561,997 0.706,999 45.669,1000 50.753,1001 0.337,1002 0.694,1003 0.839,1004 0.88,1005 0.889,1006 0.889,1007 4.931,1008 1.304,1009 5.894,1010 4.558,1011 4.489,1012 4.852,1013 3.417,1014 6.76,1015 4.334,1016 6.138,1017 1.223,1018 7.495,1019 3.793,1020 4.29,1021 4.663,1022 3.943,1023 7.928,1024 3.965,1025 7.458,1026 1.108,1027 9.207,1028 2.933,1029 6.184,1030 6.911,1031 5.467,1032 10.959,1033 5.852,1034 8.809,1035 1,1036 10.985,1037 2.537,1038 6.781,1039 7.484,1040 6.696,1041 12.915,1042 6.267,1043 10.194,1044 0.887,1045 12.805,1046 2.217,1047 8.208,1048 9.26,1049 8.063,1050 15.528,1051 7.664,1052 11.601,1054 14.655,1055 2.136,1056 9.139,1057 10.19,1058 9.389,1059 17.776,1060 8.429,1061 13.025,1062 -0.344,1063 16.524,1065 10.399,1066 11.756,1067 10.735,1068 20.263,1069 9.627,1070 3.321,1071 -0.56,1072 18.409,1073 -0.913,1074 11.472,1075 12.871,1076 12.074,1077 22.623,1078 10.555,1079 3.2,1080 11.69,1081 20.305,1082 -1.363,1083 12.674,1084 14.334,1085 13.417,1086 25.072,1087 11.672,1088 2.754,1089 10.946,1090 22.21,1091 3.877,1092 13.807,1093 15.548,1094 14.758,1095 27.477,1096 12.675,1097 2.508,1098 8.932,1099 24.122,1100 3.805,1101 14.991,1102 16.958,1103 16.1,1104 29.916,1105 13.762,1106 2.196,1107 7.653,1108 26.041,1109 3.148,1110 16.15,1111 18.228,1112 17.441,1113 32.34,1114 14.801,1115 1.819,1116 6.65,1117 27.964,1118 3.009,1119 17.331,1120 19.61,1121 18.783,1122 34.778,1123 15.877,1124 1.588,1125 4.674,1126 29.891,1127 2.671,1128 18.503,1129 20.911,1130 20.124,1131 37.212,1132 16.934,1133 8303,1134 15914,1135 19.879,1136 28.836,1137 47.188,1138 46.227,1139 46.261,1140 46.066,1141 45.819,1142 54.79,1143 18.294,1144 137.44,1145 42.295,1146 5.473,1147 6.46,1148 6.918,1149 5.289,1150 5.321,1151 6.877,1152 5.335,1153 18.863,1154 4.975,1155 13.386,1156 1.573,1157 1.541,1158 1.542,1159 1.536,1160 1.527,1161 1.826,1162 0.61,1163 4.581,1164 1.41,1165 4.011,1166 4.055,1167 3.97,1168 3.897,1169 8.513,1170 3.902,1171 3.895,1172 3.931,1173 3.857,1174 3.735,1175 7.999,1176 3.764,1177 3.727,1178 3.784,1179 3.625,1180 3.509,1181 7.999,1182 3.528,1183 3.421,1184 3.462,1185 3.385,1186 3.235,1187 7.429,1188 3.251,1189 3.303,1190 3.348,1191 3.263,1192 3.059,1193 4.832,1194 3.094,1195 3.111,1196 3.206,1197 2.966,1198 2.941,1199 4.674,1200 2.91,1201 3.065,1202 3.131,1203 2.866,1204 2.887,1205 4.6,1206 2.889,1207 2.901,1208 2.933,1209 2.821,1210 2.606,1211 4.254,1212 2.666,1213 0.149,1214 0.149,1215 0.237,1216 0.14,1217 0.111,1218 4.473,1219 0.129,1220 4.46,1221 0.128,1222 7.116,1223 0.39,1224 4.185,1225 0.099,1226 3.321,1227 3.877,1228 3.825,1229 11.69,1230 2.975,1231 1.927,1232 1.901,1233 2.031,1234 2.031,1235 1.209,1236 2.026,1237 1.781,1238 1.733,1239 1.939,1240 1.998,1241 1.185,1242 1.983,1243 1.558,1244 1.513,1245 1.69,1246 1.801,1247 0.825,1248 1.769,1249 1.462,1250 1.404,1251 1.629,1252 1.673,1253 0.782,1254 1.66,1255 1.158,1256 1.115,1257 1.513,1258 1.435,1259 0.744,1260 1.429,1261 1.153,1262 1.064,1263 1.365,1264 1.376,1265 0.481,1266 1.371,1267 1.036,1268 0.982,1269 1.204,1270 1.277,1271 0.261,1272 1.273,1273 0.807,1274 0.748,1275 1.056,1276 1.086,1277 0.213,1278 1.076,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.727,1285 8.64,1286 6.843,1287 10.31,1291 38.793,1295 2.575,1297 5.315,1300 5.019,1301 -4.395,1305 28.88,1306 80.915,1307 166.589,1308 201.46,1309 211.46,1310 213.46,1311 213.46,1312 55.055,1313 7.69,1314 51.77,1315 51.77,1316 23,1317 12.644,1318 3.459,1319 3,1320 40.142,1321 100,1322 94,1323 0.197,1324 172.131,1325 320.93,1326 411.761,1327 22977,1328 6.8,1329 19.018,1330 0.704,1331 0.53,1332 16.518,1333 14.316,1334 12.915,1335 0.43,1336 0.283,1337 8.268,1338 12.064,1339 8.203,1340 6.66,1341 11.704,1342 8.491,1343 12.603,1344 0.286,1345 0.144,1346 10.646,1347 6.346,1348 9.967,1349 0.175,1350 0.079,1351 9.004,1352 4.515,1353 8.359,1354 0.111,1355 0.042,1356 7.841,1357 3.144,1358 6.896,1359 0.072,1360 0.022,1361 6.256,1362 2.116,1363 0.306,1364 83.412,1365 0.224,1366 25.69,1367 0.55,1368 148,1369 650.385,1370 179.962,1371 535.612,1372 700.06,1373 498,1374 175,1375 490.949,1376 201.923,1377 472.45,1378 717.83,1379 443,1380 5.201}
{0 CHEMBL1957853,1 1.809,2 9.96,3 2.755,4 7.587,5 96.985,6 9.25,7 0.214,8 3.857,9 3.96,10 3.613,11 3.395,12 4.956,13 3.397,14 4.422,15 4.58,16 4.027,17 3.809,18 5.524,19 3.793,20 4.643,21 4.825,22 4.176,23 3.96,24 5.753,25 3.898,26 4.636,27 4.854,28 3.913,29 3.875,30 5.72,31 3.789,32 4.544,33 4.764,34 3.817,35 3.762,36 5.556,37 3.691,38 4.498,39 4.687,40 3.85,41 3.722,42 5.627,43 3.688,44 4.428,45 4.602,46 3.873,47 3.708,48 5.637,49 3.638,50 4.357,51 4.576,52 3.673,53 3.578,54 5.405,55 3.457,56 0.097,57 0.624,58 5.547,59 3.359,60 6.536,61 3.941,62 0.447,63 1.023,64 14.252,65 5.791,66 19.953,67 6.698,68 0.574,69 1.172,70 26.667,71 8.068,72 39.276,73 9.541,74 0.594,75 1.161,76 24.839,77 8.089,78 45.826,79 10.413,80 0.469,81 1.048,82 23.752,83 7.562,84 38.309,85 9.825,86 0.577,87 0.993,88 20.458,89 6.141,90 47.362,91 6.834,92 0.604,93 0.887,94 18.092,95 6.267,96 46.243,97 7.422,98 0.4,99 0.744,100 21.787,101 7.169,102 35.877,103 9.109,104 10,105 40,106 0.319,107 0.672,108 0.804,109 0.841,110 0.85,111 0.85,112 3.268,113 0.935,114 -4.8,115 -4.71,116 -4.42,119 41.5,125 5,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 5,183 4,186 1,187 2,195 6,198 5,199 4,207 2,211 1,212 6,224 5,232 1,236 3,237 6,245 2,250 4,258 1,263 3,271 1,275 904,276 16.947,277 16.947,278 16.947,279 16.947,280 16.947,281 15.492,282 24.463,283 9.89,284 17.681,285 13.821,286 13.821,287 13.821,288 13.821,289 13.821,290 11.48,291 31.56,292 4.723,293 15.138,294 3.548,295 1.548,296 0.799,297 0.585,298 0.537,299 0.537,300 3.965,301 2,303 1,304 1,305 1,306 545,307 2.345,310 52.617,311 211.815,314 95.311,318 1.488,319 25.789,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.667,331 249,332 4.462,333 3.794,334 6.724,335 4.129,336 3.203,337 3.883,338 1.443,339 10.948,340 2.969,341 4.215,342 3.329,343 6.106,344 3.758,345 2.839,346 3.804,347 1.074,348 8.937,349 2.618,350 3.914,351 3.195,352 5.956,353 3.641,354 2.731,355 3.095,356 0.88,357 8.36,358 2.478,359 3.604,360 3.095,361 5.652,362 3.31,363 2.371,364 2.821,365 0.86,366 7.386,367 2.185,368 3.427,369 2.582,370 5.164,371 3.003,372 2.049,373 2.638,374 0.68,375 6.169,376 1.849,377 3.054,378 2.335,379 4.537,380 2.727,381 1.819,382 2.067,383 0.249,384 4.672,385 1.646,386 2.82,387 2.14,388 4.409,389 2.307,390 1.414,391 1.949,392 0.136,393 3.929,394 1.233,395 2.776,396 1.874,397 4.04,398 2.262,399 1.333,400 1.705,402 3.519,403 1.195,404 2.452,405 1.789,406 3.754,407 2.14,408 1.234,409 1.381,411 2.933,412 1.107,413 2.208,414 1.33,415 3.447,416 1.952,417 1,418 1.101,420 2.226,421 0.946,422 2,423 1.256,424 3.247,425 1.83,426 0.893,427 1,428 2.136,429 0.829,430 1.575,431 0.837,432 3.005,433 1.137,434 0.278,435 0.326,436 0.652,437 0.201,438 1.408,439 0.56,440 2.695,441 0.771,442 -0.131,443 -0.168,445 -0.331,446 -0.104,447 0.892,448 0.193,449 2.514,450 0.539,451 -0.387,452 -0.508,454 -1.051,455 -0.338,456 0.711,457 -0.127,458 2.376,459 0.357,460 -0.568,461 -0.65,463 -1.389,464 -0.492,465 12.195,466 0.488,467 0.644,468 0.026,469 29.5,470 1.18,471 11.5,472 0.46,473 18,474 0.72,475 21.433,476 0.857,477 26.805,478 0.654,479 21.479,480 0.859,481 6.058,482 0.242,483 6.056,484 0.242,485 0.144,487 0.344,493 0.737,494 1.633,495 0.513,496 1.017,497 0.533,498 0.892,499 0.991,500 0.947,501 0.652,502 0.699,503 0.623,504 0.765,505 1.028,506 1.167,507 0.825,508 0.916,509 0.864,510 0.964,511 0.754,512 0.939,513 0.849,514 0.927,515 0.911,516 1.003,517 0.758,518 1.154,519 0.767,520 1.008,521 0.869,522 0.977,523 1.465,524 0.954,525 0.924,526 0.807,527 1.778,528 0.892,529 0.979,530 0.958,531 0.917,532 0.965,533 1.318,534 1.068,535 0.817,536 0.975,537 0.909,538 1.097,539 0.973,540 1.07,541 5,542 0.095,543 3.111,544 1.569,545 1.449,546 0.816,547 0.554,548 0.392,549 0.225,550 0.141,551 7167,552 24130,553 2.13,554 39,556 14,557 2,564 1.682,565 2,566 3.303,567 -0.672,568 1,569 1,573 74.173,574 1.809,575 3.809,576 4.559,577 4.772,578 4.821,579 4.821,580 2.725,581 4.324,582 4.615,583 3.422,584 1026.73,585 7.99,586 12200.9,587 1,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.179,595 0.007,596 0.078,597 0.039,598 0.043,599 0.026,600 0.017,601 0.014,602 0.01,603 0.008,604 0.42,605 0.5,606 1,607 0.553,608 119.635,609 -0.057,610 -0.441,611 0.024,612 -0.161,613 -0.022,614 -0.062,615 -0.061,616 0.205,617 0.014,618 0.156,619 0.01,620 0.079,621 -0.097,622 -0.128,623 0.04,624 0.015,625 -0.006,626 -0.035,627 0.052,628 0.093,629 -0.047,630 -0.009,631 0.011,632 -0.042,633 0.031,634 -0.158,635 0.023,636 -0.077,637 -0.031,638 0.01,639 -0.34,640 0.111,641 -0.145,642 0.071,643 -0.31,644 -0.017,645 0.07,646 0.07,647 -0.07,648 -0.039,650 -0.154,651 0.076,652 -0.105,653 0.095,654 -0.064,655 0.036,656 -0.004,657 1.764,658 5.42,659 0.84,660 20.979,661 1.022,662 1.127,663 3.565,664 12.711,665 0.707,666 3.367,667 3.714,668 4.007,669 4.277,670 4.522,671 4.615,672 4.779,673 4.92,674 5.004,675 5.075,676 5.849,677 0.679,678 379.27,679 3.367,680 4.92,681 5.784,682 6.671,683 7.552,684 8.445,685 9.334,686 10.231,687 11.125,688 12.024,689 9.8,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 28,737 44,738 17,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,781 16,782 6,784 8,785 2,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,845 2,848 25,854 5,856 1,859 3,869 2,870 4.9,873 1,874 1,877 12.5,878 7.419,879 5.389,880 2.423,881 2.162,882 1.287,883 1.002,884 4.733,885 9.683,886 3.584,887 4.119,888 4.637,889 5.138,890 5.601,891 5.811,892 6.081,893 6.422,894 6.685,895 6.933,896 0.857,897 40,898 9.234,900 3.992,901 7.789,902 17.57,904 14.599,905 2.289,906 57.222,909 1,910 188.338,911 90.62,912 26.158,913 78.297,914 36.145,917 90.62,918 302.78,919 26.158,921 36.721,922 37.905,923 40.849,924 35.549,925 25.441,926 164.795,927 78.297,928 188.338,929 116.779,930 36.145,931 78.297,933 188.338,934 25.145,935 11,937 41.66,938 65.642,939 87.774,941 188.338,942 62.303,943 168.917,946 188.338,947 34.62,948 65.373,950 131.228,951 188.338,952 62.303,953 168.917,955 0.589,956 0.349,957 0.184,958 0.102,959 21,960 9,961 0.068,962 3,963 1,964 1.095,965 3.71,966 214.424,967 0.095,968 21,969 112.096,974 16.91,975 6.997,976 3.419,978 62.303,979 5.503,984 2.014,987 419.558,988 35,993 12.42,995 5.141,996 4.693,997 1.182,999 41.894,1000 46.206,1001 0.338,1002 0.711,1003 0.851,1004 0.891,1005 0.9,1006 0.9,1007 4.856,1008 1.333,1009 5.778,1010 3.929,1011 4.394,1012 4.804,1013 2.363,1014 6.603,1015 4.224,1016 6.046,1017 1.234,1018 7.347,1019 3.519,1020 4.007,1021 4.559,1022 1.104,1023 7.506,1024 3.705,1025 7.348,1026 1,1027 9.014,1028 2.933,1029 6.004,1030 6.871,1031 2.46,1032 10.618,1033 5.682,1034 8.682,1035 0.893,1036 10.739,1037 2.226,1038 6.431,1039 7.42,1040 1.822,1041 12.347,1042 5.98,1043 10.047,1044 0.278,1045 12.5,1046 2.136,1047 7.902,1048 9.222,1049 2.786,1050 14.972,1051 7.425,1052 11.435,1053 -0.131,1054 14.285,1055 0.652,1056 8.703,1057 10.145,1058 2.537,1059 17.054,1060 8.111,1061 12.839,1062 -0.387,1063 16.089,1064 -0.331,1065 9.964,1066 11.725,1067 3.27,1068 19.511,1069 9.329,1070 3.203,1071 -0.568,1072 17.907,1073 -1.051,1074 10.941,1075 12.84,1076 3.269,1077 21.753,1078 10.206,1079 2.839,1080 10.948,1081 19.736,1082 -1.389,1083 12.119,1084 14.311,1085 3.856,1086 24.153,1087 11.329,1088 2.731,1089 8.937,1090 21.573,1091 3.883,1092 13.181,1093 15.528,1094 4.008,1095 26.471,1096 12.301,1097 2.371,1098 8.36,1099 23.418,1100 3.804,1101 14.329,1102 16.944,1103 4.507,1104 28.855,1105 13.386,1106 2.049,1107 7.386,1108 25.269,1109 3.095,1110 15.431,1111 18.217,1112 4.747,1113 31.208,1114 14.406,1115 1.819,1116 6.169,1117 27.126,1118 2.821,1119 16.571,1120 19.603,1121 5.193,1122 33.59,1123 15.478,1124 1.414,1125 4.672,1126 28.987,1127 2.638,1128 17.695,1129 20.908,1130 5.486,1131 35.96,1132 16.524,1133 6788,1134 12589,1135 18.898,1136 28.977,1137 43.33,1138 44.329,1139 43.507,1140 42.533,1141 42.331,1142 51.538,1143 10.643,1144 123.731,1145 38.511,1146 5.462,1147 5.794,1148 6.526,1149 5.232,1150 5.203,1151 6.883,1152 2.571,1153 18.113,1154 4.969,1155 11.022,1156 1.547,1157 1.583,1158 1.554,1159 1.519,1160 1.512,1161 1.841,1162 0.38,1163 4.419,1164 1.375,1165 4.001,1166 4.047,1167 4.12,1168 3.898,1169 7.429,1170 3.895,1171 3.876,1172 3.903,1173 3.922,1174 3.736,1175 5.043,1176 3.762,1177 3.724,1178 3.778,1179 3.632,1180 3.508,1181 4.814,1182 3.527,1183 3.392,1184 3.429,1185 3.418,1186 3.232,1187 4.605,1188 3.242,1189 3.111,1190 3.206,1191 3.387,1192 3.001,1193 4.491,1194 2.984,1195 3.11,1196 3.162,1197 3.214,1198 2.941,1199 4.305,1200 2.91,1201 2.91,1202 2.932,1203 2.928,1204 2.79,1205 4.195,1206 2.764,1207 2.877,1208 2.921,1209 2.866,1210 2.614,1211 3.729,1212 2.673,1213 0.159,1214 0.136,1215 0.24,1216 0.147,1217 0.114,1218 4.462,1219 0.139,1220 3.794,1221 0.052,1222 6.724,1223 0.391,1224 4.129,1225 0.106,1226 3.203,1227 3.883,1228 1.443,1229 10.948,1230 2.969,1231 1.902,1232 1.883,1233 1.977,1234 2.016,1235 1.208,1236 2.001,1237 1.781,1238 1.733,1239 1.938,1240 1.965,1241 1.162,1242 1.972,1243 1.558,1244 1.512,1245 1.69,1246 1.799,1247 0.825,1248 1.768,1249 1.449,1250 1.393,1251 1.601,1252 1.638,1253 0.758,1254 1.636,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.731,1260 1.429,1261 1.105,1262 1.057,1263 1.326,1264 1.287,1265 0.466,1266 1.304,1267 0.868,1268 0.824,1269 1.087,1270 1.081,1271 0.211,1272 1.072,1273 0.79,1274 0.744,1275 1.047,1276 1.017,1277 0.163,1278 1.05,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.727,1285 8.533,1286 6.843,1287 10.199,1290 12.067,1295 3.301,1297 5.366,1300 5.535,1305 27.858,1306 74.173,1307 156.176,1308 186.905,1309 195.66,1310 197.66,1311 197.66,1312 37.278,1313 7.521,1314 51.77,1315 51.77,1316 23,1317 12.548,1318 3.459,1319 3,1320 35.856,1321 86,1322 88,1323 0.203,1324 175.61,1325 315.84,1326 420.249,1327 18379,1328 4.9,1329 17.389,1330 0.696,1331 0.595,1332 18.389,1333 14.873,1334 12.114,1335 0.433,1336 0.312,1337 7.881,1338 10.991,1339 7.698,1340 6.259,1341 12.692,1342 8.724,1343 11.141,1344 0.279,1345 0.168,1346 11.883,1347 6.711,1348 9.666,1349 0.179,1350 0.092,1351 10.581,1352 4.984,1353 7.941,1354 0.112,1355 0.046,1356 8.342,1357 3.257,1358 6.512,1359 0.072,1360 0.024,1361 6.881,1362 2.226,1363 0.314,1364 82.709,1365 0.23,1366 24.06,1367 0.571,1368 136,1369 434.458,1370 181.984,1371 471.256,1372 623.41,1373 440,1374 162,1375 411.674,1376 205.676,1377 431.783,1378 640.16,1379 406,1380 5.886}
{0 CHEMBL1957854,1 1.858,2 9.96,3 2.296,4 5.27,5 92.397,6 8.849,7 0.214,8 3.861,9 3.967,10 3.575,11 3.363,12 5,13 3.382,14 4.426,15 4.588,16 3.977,17 3.767,18 5.58,19 3.773,20 4.651,21 4.838,22 4.064,23 3.895,24 5.86,25 3.867,26 4.641,27 4.864,28 3.881,29 3.841,30 5.766,31 3.774,32 4.546,33 4.767,34 3.786,35 3.741,36 5.578,37 3.68,38 4.504,39 4.701,40 3.811,41 3.691,42 5.681,43 3.674,44 4.432,45 4.61,46 3.815,47 3.661,48 5.686,49 3.614,50 4.367,51 4.595,52 3.547,53 3.508,54 5.536,55 3.417,56 0.124,57 0.699,58 6.099,59 3.444,60 9.445,61 3.985,62 0.486,63 1.121,64 14.729,65 5.77,66 22.04,67 6.681,68 0.692,69 1.291,70 23.191,71 7.751,72 55.901,73 9.174,74 0.67,75 1.227,76 23.342,77 7.802,78 56.729,79 10.091,80 0.519,81 1.07,82 23.717,83 7.286,84 45.45,85 9.761,86 0.676,87 1.075,88 18.926,89 5.863,90 59.682,91 6.701,92 0.64,93 0.968,94 18.519,95 6.135,96 48.292,97 7.36,98 0.513,99 0.914,100 19.72,101 6.899,102 48.861,103 8.769,104 10,105 40,106 0.328,107 0.689,108 0.821,109 0.85,110 0.85,111 0.85,112 3.268,113 0.894,114 -4.68,115 -4.6,116 -4.32,119 41.5,125 5,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 5,183 3,186 1,187 2,195 3,198 5,199 4,207 1,211 1,212 6,224 4,232 1,236 3,237 6,245 2,250 2,258 1,263 3,271 1,275 904,276 16.947,277 16.947,278 16.947,279 16.947,280 16.947,281 15.492,282 24.481,283 9.89,284 17.615,285 13.821,286 13.821,287 13.821,288 13.821,289 13.821,290 11.48,291 31.574,292 4.723,293 14.985,294 3.5,295 1.451,296 0.701,297 0.537,298 0.537,299 0.537,300 3.965,301 1,303 1,304 1,305 1,306 545,307 2.345,310 52.617,311 211.815,314 95.311,318 1.488,319 31.975,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.833,331 249,332 4.462,333 3.794,334 6.724,335 4.129,336 3.203,337 3.883,338 1.443,339 10.948,340 2.969,341 4.215,342 3.32,343 6.106,344 3.772,345 2.839,346 3.804,347 1.074,348 8.937,349 2.646,350 3.914,351 3.194,352 5.956,353 3.645,354 2.731,355 3.095,356 0.88,357 8.36,358 2.49,359 3.604,360 3.095,361 5.652,362 3.32,363 2.371,364 2.821,365 0.86,366 7.386,367 2.218,368 3.427,369 2.579,370 5.164,371 3.017,372 2.049,373 2.638,374 0.68,375 6.169,376 1.943,377 3.054,378 2.335,379 4.537,380 2.727,381 1.819,382 2.067,383 0.249,384 4.672,385 1.646,386 2.82,387 2.124,388 4.409,389 2.319,390 1.414,391 1.949,392 0.136,393 3.929,394 1.236,395 2.776,396 1.874,397 4.04,398 2.264,399 1.333,400 1.705,402 3.519,403 1.217,404 2.452,405 1.789,406 3.754,407 2.14,408 1.234,409 1.381,411 2.933,412 1.108,413 2.208,414 1.33,415 3.447,416 1.952,417 1,418 1.101,420 2.226,421 0.946,422 2,423 1.256,424 3.247,425 1.831,426 0.893,427 1,428 2.136,429 0.83,430 1.575,431 0.83,432 3.005,433 1.178,434 0.278,435 0.326,436 0.652,437 0.233,438 1.408,439 0.559,440 2.695,441 0.79,442 -0.131,443 -0.168,445 -0.331,446 -0.108,447 0.892,448 0.193,449 2.514,450 0.551,451 -0.387,452 -0.508,454 -1.051,455 -0.339,456 0.711,457 -0.13,458 2.376,459 0.359,460 -0.568,461 -0.65,463 -1.389,464 -0.516,465 11.767,466 0.471,467 0.644,468 0.026,469 29.5,470 1.18,471 11.5,472 0.46,473 18,474 0.72,475 20.578,476 0.823,477 27.233,478 0.664,479 22.334,480 0.893,481 6.189,482 0.248,483 5.925,484 0.237,485 0.113,487 0.357,491 1,493 0.686,494 1.402,495 0.549,496 1.109,497 0.51,498 0.937,499 0.902,500 0.918,501 0.711,502 0.784,503 0.584,504 0.806,505 0.971,506 1.118,507 0.902,508 1.004,509 0.813,510 0.994,511 0.747,512 0.849,513 0.876,514 0.907,515 0.828,516 0.999,517 0.651,518 0.949,519 0.928,520 1.073,521 0.628,522 1.018,523 1.317,524 0.807,525 0.939,526 0.727,527 1.408,528 0.865,529 0.891,530 0.924,531 1.051,532 1.061,533 1.01,534 1.12,535 0.838,536 0.913,537 0.888,538 1.079,539 0.988,540 1.075,541 5,542 0.095,543 3.111,544 1.569,545 1.449,546 0.816,547 0.554,548 0.392,549 0.225,550 0.141,551 7167,552 24130,553 2.13,554 39,556 14,557 2,564 1.682,565 2,566 3.303,567 -0.672,568 1,569 1,573 76.173,574 1.858,575 3.907,576 4.656,577 4.821,578 4.821,579 4.821,580 2.725,581 4.324,582 4.615,583 3.422,584 1026.73,585 7.99,586 12200.9,587 1,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.179,595 0.007,596 0.078,597 0.039,598 0.043,599 0.026,600 0.017,601 0.014,602 0.01,603 0.008,604 0.42,605 0.5,606 1,607 0.553,608 119.635,609 -0.054,610 -0.347,611 0.037,612 -0.175,613 -0.019,614 -0.065,615 -0.063,616 0.083,617 0.009,618 0.106,619 0.007,620 0.062,621 -0.065,622 -0.132,623 -0.02,624 -0.061,625 0.03,626 -0.058,627 0.022,628 0.069,629 -0.026,630 0.018,631 -0.022,632 -0.027,633 0.029,634 -0.153,635 0.007,636 -0.12,637 -0.015,638 -0.007,639 -0.284,640 0.162,641 -0.139,642 0.153,643 -0.238,644 0.018,645 0.044,646 -0.024,647 -0.107,648 -0.112,649 -0.008,650 -0.187,651 0.097,652 0.007,653 0.086,654 -0.06,655 0.046,656 -0.016,657 2.119,658 5.388,659 0.84,660 20.979,661 1.026,662 1.137,663 3.45,664 11.9,665 0.684,666 3.367,667 3.714,668 4.007,669 4.277,670 4.522,671 4.615,672 4.779,673 4.92,674 5.004,675 5.075,676 5.849,677 0.669,678 362.82,679 3.367,680 4.92,681 5.784,682 6.671,683 7.552,684 8.445,685 9.334,686 10.231,687 11.125,688 12.024,689 9.8,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 28,737 44,738 17,739 6,740 3,741 3,742 4,746 4,747 5,748 1,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,777 1,778 1,779 1,781 16,782 7,784 8,785 1,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,845 1,846 1,848 25,854 5,856 1,859 3,869 2,870 4.9,873 1,874 1,877 12.5,878 7.419,879 5.389,880 2.423,881 2.162,882 1.287,883 1.005,884 4.501,885 9.683,886 3.584,887 4.119,888 4.637,889 5.138,890 5.601,891 5.811,892 6.081,893 6.422,894 6.685,895 6.933,896 0.857,897 40,898 9.275,900 4.066,901 7.944,902 17.431,904 14.491,905 2.444,906 61.111,910 188.338,911 96.241,912 26.158,913 39.149,914 36.145,915 14.96,917 96.241,918 263.631,919 41.119,921 36.721,922 37.905,923 40.849,924 41.169,925 40.401,926 164.795,927 39.149,928 188.338,929 122.399,930 51.105,931 39.149,933 203.298,934 25.145,935 11,937 41.66,938 71.262,939 48.625,941 203.298,942 62.303,943 135.389,946 188.338,947 40.241,948 65.373,950 107.039,951 188.338,952 77.263,953 135.389,955 0.589,956 0.349,957 0.184,958 0.102,959 21,960 9,961 0.068,962 3,963 1,964 1.095,965 3.71,966 214.424,967 0.095,968 21,969 112.096,974 16.578,975 6.788,976 3.295,978 77.263,979 4.584,984 0.454,987 400.99,988 35,993 12.388,995 5,996 4.645,997 1.044,999 42.083,1000 46.602,1001 0.347,1002 0.729,1003 0.869,1004 0.9,1005 0.9,1006 0.9,1007 4.856,1008 1.333,1009 5.778,1010 3.929,1011 4.394,1012 4.804,1013 2.363,1014 6.603,1015 4.242,1016 6.046,1017 1.234,1018 7.347,1019 3.519,1020 4.007,1021 4.559,1022 1.104,1023 7.506,1024 3.748,1025 7.348,1026 1,1027 9.014,1028 2.933,1029 6.004,1030 6.871,1031 2.46,1032 10.618,1033 5.709,1034 8.682,1035 0.893,1036 10.739,1037 2.226,1038 6.431,1039 7.42,1040 1.822,1041 12.347,1042 6.024,1043 10.047,1044 0.278,1045 12.5,1046 2.136,1047 7.902,1048 9.222,1049 2.786,1050 14.972,1051 7.457,1052 11.435,1053 -0.131,1054 14.285,1055 0.652,1056 8.703,1057 10.145,1058 2.537,1059 17.054,1060 8.152,1061 12.839,1062 -0.387,1063 16.089,1064 -0.331,1065 9.964,1066 11.725,1067 3.27,1068 19.511,1069 9.364,1070 3.203,1071 -0.568,1072 17.907,1073 -1.051,1074 10.941,1075 12.84,1076 3.269,1077 21.753,1078 10.244,1079 2.839,1080 10.948,1081 19.736,1082 -1.389,1083 12.119,1084 14.311,1085 3.856,1086 24.153,1087 11.363,1088 2.731,1089 8.937,1090 21.573,1091 3.883,1092 13.181,1093 15.528,1094 4.008,1095 26.471,1096 12.336,1097 2.371,1098 8.36,1099 23.418,1100 3.804,1101 14.329,1102 16.944,1103 4.507,1104 28.855,1105 13.418,1106 2.049,1107 7.386,1108 25.269,1109 3.095,1110 15.431,1111 18.217,1112 4.747,1113 31.208,1114 14.438,1115 1.819,1116 6.169,1117 27.126,1118 2.821,1119 16.571,1120 19.603,1121 5.193,1122 33.59,1123 15.508,1124 1.414,1125 4.672,1126 28.987,1127 2.638,1128 17.695,1129 20.908,1130 5.486,1131 35.96,1132 16.553,1133 6788,1134 12589,1135 18.898,1136 28.057,1137 43.33,1138 44.301,1139 43.507,1140 42.473,1141 42.331,1142 51.538,1143 10.643,1144 123.731,1145 38.964,1146 5.462,1147 5.794,1148 6.526,1149 5.232,1150 5.203,1151 6.883,1152 2.571,1153 18.113,1154 4.969,1155 11.022,1156 1.547,1157 1.582,1158 1.554,1159 1.517,1160 1.512,1161 1.841,1162 0.38,1163 4.419,1164 1.392,1165 4.003,1166 4.048,1167 4.037,1168 3.885,1169 8.201,1170 3.889,1171 3.88,1172 3.909,1173 3.91,1174 3.732,1175 7.429,1176 3.759,1177 3.724,1178 3.78,1179 3.629,1180 3.507,1181 4.876,1182 3.526,1183 3.393,1184 3.432,1185 3.392,1186 3.228,1187 4.797,1188 3.24,1189 3.117,1190 3.206,1191 3.247,1192 2.97,1193 4.604,1194 2.968,1195 3.111,1196 3.174,1197 2.989,1198 2.941,1199 4.33,1200 2.91,1201 2.913,1202 2.938,1203 2.871,1204 2.789,1205 4.226,1206 2.763,1207 2.877,1208 2.921,1209 2.866,1210 2.604,1211 3.732,1212 2.668,1213 0.159,1214 0.136,1215 0.24,1216 0.147,1217 0.114,1218 4.462,1219 0.139,1220 3.794,1221 0.052,1222 6.724,1223 0.391,1224 4.129,1225 0.106,1226 3.203,1227 3.883,1228 1.443,1229 10.948,1230 2.969,1231 1.899,1232 1.878,1233 1.984,1234 2.018,1235 1.208,1236 2.004,1237 1.78,1238 1.733,1239 1.939,1240 1.977,1241 1.156,1242 1.975,1243 1.558,1244 1.512,1245 1.69,1246 1.799,1247 0.825,1248 1.768,1249 1.447,1250 1.39,1251 1.605,1252 1.648,1253 0.756,1254 1.64,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.724,1260 1.429,1261 1.102,1262 1.049,1263 1.332,1264 1.3,1265 0.462,1266 1.31,1267 0.868,1268 0.824,1269 1.087,1270 1.087,1271 0.21,1272 1.074,1273 0.786,1274 0.735,1275 1.048,1276 1.019,1277 0.163,1278 1.051,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.727,1285 8.533,1286 6.843,1287 10.199,1290 5.851,1291 13.33,1295 3.093,1297 5.346,1300 5.376,1305 27.414,1306 76.173,1307 160.176,1308 190.905,1309 197.66,1310 197.66,1311 197.66,1312 42.612,1313 7.521,1314 51.77,1315 51.77,1316 23,1317 12.548,1318 3.459,1319 3,1320 35.856,1321 86,1322 88,1323 0.203,1324 168.476,1325 306.7,1326 402.841,1327 18379,1328 4.9,1329 17.389,1330 0.696,1331 0.565,1332 17.018,1333 14.117,1334 12.114,1335 0.433,1336 0.298,1337 7.826,1338 11.161,1339 7.698,1340 6.259,1341 11.992,1342 8.346,1343 11.141,1344 0.279,1345 0.158,1346 11.054,1347 6.304,1348 9.666,1349 0.179,1350 0.084,1351 9.266,1352 4.534,1353 7.941,1354 0.112,1355 0.044,1356 8.11,1357 3.139,1358 6.512,1359 0.072,1360 0.023,1361 6.422,1362 2.075,1363 0.314,1364 80.399,1365 0.23,1366 24.06,1367 0.571,1368 136,1369 494.366,1370 170.296,1371 471.256,1372 623.41,1373 440,1374 162,1375 428.145,1376 194.785,1377 431.783,1378 640.16,1379 406,1380 5.495}
{0 CHEMBL1957855,1 1.806,2 10.214,3 2.854,4 8.146,5 98.391,6 8.349,7 0.194,8 3.989,9 4.101,10 3.642,11 3.448,12 5.135,13 3.479,14 4.589,15 4.76,16 4.108,17 3.85,18 6.157,19 3.876,20 4.755,21 4.94,22 4.096,23 4.014,24 5.924,25 4.002,26 4.87,27 5.078,28 4.104,29 4.023,30 6.148,31 3.995,32 4.903,33 5.155,34 3.979,35 3.916,36 6.103,37 3.89,38 4.738,39 4.955,40 3.905,41 3.823,42 5.983,43 3.819,44 4.634,45 4.829,46 3.87,47 3.802,48 5.89,49 3.781,50 4.635,51 4.868,52 3.817,53 3.677,54 5.995,55 3.643,56 0.19,57 0.924,58 7.813,59 4.152,60 25.025,61 4.821,62 1.101,63 1.776,64 19.453,65 6.913,66 140.215,67 8.17,68 0.678,69 1.662,70 22.377,71 8.553,72 52.486,73 10.773,74 0.876,75 1.875,76 26.711,77 9.869,78 77.915,79 12.216,80 1.176,81 1.758,82 33.166,83 9.726,84 144.991,85 12.17,86 1.15,87 1.433,88 26.164,89 7.11,90 116.562,91 8.62,92 0.762,93 1.384,94 20.663,95 7.173,96 60.081,97 8.966,98 0.914,99 1.4,100 23.922,101 7.886,102 81.796,103 10.271,104 27,105 46,106 0.31,107 0.646,108 0.805,109 0.83,110 0.837,111 0.837,112 3.375,113 0.863,114 -4.87,115 -4.77,116 -4.48,119 40.4,120 1,125 5,132 1,135 1,137 2,139 1,142 3,143 3,158 1,159 1,172 7,174 5,175 5,183 8,186 1,187 2,195 5,198 5,199 6,207 1,211 1,212 6,224 8,232 1,236 3,237 6,245 2,250 6,258 3,263 3,271 1,275 1178,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 17.079,282 26.04,283 10.612,284 19.223,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 13.003,291 32.981,292 5.028,293 16.582,294 3.748,295 1.785,296 0.857,297 0.713,298 0.67,299 0.67,300 4.066,304 1,305 1,306 616,307 3.391,310 59.478,311 243.435,314 108.482,318 1.587,319 48.917,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 286,332 4.582,333 4.472,334 7.265,335 4.288,336 3.394,337 4.121,338 3.825,339 12.291,340 3.105,341 4.454,342 3.794,343 6.725,344 4.123,345 3.2,346 3.813,347 1.443,348 10.95,349 2.956,350 3.968,351 3.237,352 6.12,353 3.695,354 2.772,355 3.179,356 1.074,357 8.967,358 2.536,359 3.857,360 3.112,361 6.053,362 3.579,363 2.651,364 3.039,365 0.88,366 8.592,367 2.418,368 3.535,369 2.957,370 5.594,371 3.219,372 2.259,373 2.676,374 0.86,375 7.127,376 2.146,377 3.059,378 2.351,379 4.801,380 2.727,381 1.82,382 2.094,383 0.68,384 4.946,385 1.646,386 2.944,387 2.159,388 4.537,389 2.567,390 1.622,391 2.053,392 0.249,393 4.671,394 1.495,395 2.857,396 1.794,397 4.407,398 2.414,399 1.414,400 1.983,401 0.136,402 3.84,403 1.414,404 2.764,405 1.735,406 3.874,407 2.23,408 1.304,409 1.694,411 3.171,412 1.201,413 2.437,414 1.512,415 3.754,416 2.135,417 1.223,418 1.37,420 2.933,421 1.104,422 2.208,423 1.33,424 3.447,425 1.952,426 1,427 1.1,428 2.226,429 0.946,430 2,431 1.256,432 3.247,433 1.83,434 0.892,435 1,436 2.136,437 0.829,438 1.558,439 0.755,440 3.156,441 1.216,442 0.241,443 0.274,445 0.625,446 0.233,447 1.31,448 0.51,449 2.778,450 0.784,451 -0.204,452 -0.274,454 -0.516,455 -0.198,456 0.907,457 0.51,458 2.693,459 0.577,460 -0.413,461 -0.536,463 -1.094,464 -0.404,465 12.624,466 0.451,467 0.916,468 0.033,469 31.25,470 1.116,471 11.5,472 0.411,473 19.75,474 0.705,475 25.414,476 0.908,477 31.776,478 0.676,479 27.278,480 0.974,481 6.649,482 0.237,483 6.693,484 0.239,485 0.134,486 0.04,487 0.333,490 3,493 0.624,494 1.217,495 0.626,496 1.243,497 0.555,498 1.019,499 0.606,500 0.679,501 0.73,502 0.802,503 0.377,504 0.809,505 0.715,506 0.959,507 0.858,508 1.058,509 0.554,510 1.027,511 0.787,512 1.086,513 0.977,514 1.192,515 0.814,516 1.173,517 1.123,518 1.055,519 1.022,520 0.907,521 1.15,522 0.905,523 1.23,524 0.751,525 1.216,526 0.746,527 1.274,528 0.892,529 0.791,530 0.908,531 1.038,532 1.066,533 0.758,534 1.121,535 0.766,536 0.861,537 0.853,538 1.091,539 0.886,540 1.049,541 6.5,542 0.169,543 4,544 2.444,545 1.747,546 1.09,547 0.652,548 0.506,549 0.375,550 0.259,551 9296,552 32337,553 2.064,554 40.4,555 3,556 14,557 2,564 1.713,565 1.898,566 3.335,567 -0.671,568 1,569 1,573 84.89,574 1.806,575 3.77,576 4.698,577 4.842,578 4.884,579 4.884,580 2.751,581 4.423,582 4.782,583 3.499,584 1322.46,585 8.327,586 17027.8,588 1,590 1,591 261.066,592 1.656,593 4.716,594 0.21,595 0.008,596 0.087,597 0.052,598 0.04,599 0.028,600 0.018,601 0.014,602 0.012,603 0.011,604 0.48,605 0.5,606 1,607 0.787,608 139.052,609 -0.044,610 -0.244,611 0.053,612 -0.169,613 -0.065,614 -0.058,615 0.274,616 0.322,617 0.129,618 0.169,619 0.373,620 0.106,621 -0.064,622 -0.139,623 -0.028,624 -0.07,625 0.008,626 -0.045,627 -0.008,628 -0.159,629 -0.079,630 -0.21,631 -0.011,632 -0.189,633 -0.141,634 -0.072,635 0.012,636 0.051,637 -0.133,638 0.094,639 -0.217,640 0.199,641 -0.245,642 0.166,643 -0.224,644 0.018,645 -0.041,646 -0.092,647 -0.164,648 -0.121,649 -0.025,650 -0.17,651 0.171,652 0.078,653 0.15,654 -0.101,655 0.077,656 -0.03,657 5.655,658 5.463,659 0.75,660 23.719,661 1.033,662 1.153,663 3.637,664 13.226,665 0.651,666 3.466,667 3.85,668 4.127,669 4.407,670 4.615,671 4.71,672 4.905,673 5.037,674 5.124,675 5.231,676 6.203,677 0.647,678 392.42,679 3.466,680 5.043,681 5.911,682 6.819,683 7.704,684 8.614,685 9.507,686 10.417,687 11.315,688 12.225,689 8.5,692 2,696 1,698 1,704 3,709 3,711 6,731 47,733 10,734 1,735 31,737 50,738 19,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 2,757 1,761 12,762 7,766 4,771 1,773 3,774 1,775 3,778 1,779 3,781 19,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 1,846 3,848 28,854 5,856 1,859 3,860 1,869 3,870 4.3,873 1,874 1,877 14.75,878 8.812,879 5.917,880 2.778,881 2.248,882 1.289,883 0.995,884 4.94,885 10.015,886 3.664,887 4.212,888 4.734,889 5.246,890 5.683,891 5.919,892 6.244,893 6.527,894 6.775,895 7.075,896 0.857,897 47,898 10.85,900 5.163,901 8.223,902 19.246,904 16.029,905 2.723,906 76.25,909 1,910 223.651,911 106.575,912 26.158,914 36.145,915 44.88,917 106.575,918 259.796,919 71.039,920 8.825,921 36.721,922 37.905,923 40.849,924 79.799,925 25.441,926 200.109,927 7.76,928 223.651,929 132.733,930 81.025,933 223.651,934 70.025,935 11,937 58.245,938 65.012,939 9.476,941 268.531,942 62.303,943 106.575,946 231.41,947 33.99,948 74.198,950 97.811,951 223.651,952 107.184,953 106.575,955 0.6,956 0.349,957 0.187,958 0.098,959 24,960 11,961 0.06,962 3,963 1,964 1.095,965 3.838,966 253.819,967 0.095,968 21,969 125.851,974 19.037,975 7.266,976 3.701,978 107.184,979 4.131,984 0.049,987 437.409,988 38,993 12.463,995 4.71,996 4.591,997 0.714,999 48.552,1000 54.168,1001 0.325,1002 0.679,1003 0.846,1004 0.872,1005 0.879,1006 0.879,1007 4.966,1008 1.414,1009 5.953,1010 4.671,1011 4.533,1012 4.898,1013 3.417,1014 6.843,1015 4.385,1016 6.185,1017 1.304,1018 7.571,1019 3.84,1020 4.369,1021 4.783,1022 3.943,1023 8.042,1024 4.073,1025 7.516,1026 1.223,1027 9.3,1028 3.171,1029 6.248,1030 6.997,1031 5.467,1032 11.104,1033 5.94,1034 8.88,1035 1,1036 11.093,1037 2.933,1038 6.878,1039 7.666,1040 6.696,1041 13.086,1042 6.425,1043 10.278,1044 0.892,1045 12.928,1046 2.226,1047 8.297,1048 9.412,1049 8.063,1050 15.737,1051 7.809,1052 11.699,1053 0.241,1054 14.791,1055 2.136,1056 9.254,1057 10.441,1058 9.389,1059 18.013,1060 8.642,1061 13.137,1062 -0.204,1063 16.673,1064 0.625,1065 10.515,1066 11.996,1067 10.735,1068 20.542,1069 9.845,1070 3.394,1071 -0.413,1072 18.57,1073 -0.516,1074 11.608,1075 13.203,1076 12.074,1077 22.937,1078 10.831,1079 3.2,1080 12.291,1081 20.479,1082 -1.094,1083 12.818,1084 14.672,1085 13.417,1086 25.431,1087 11.969,1088 2.772,1089 10.95,1090 22.397,1091 4.121,1092 13.968,1093 15.969,1094 14.758,1095 27.878,1096 13.022,1097 2.651,1098 8.967,1099 24.323,1100 3.813,1101 15.164,1102 17.4,1103 16.1,1104 30.364,1105 14.138,1106 2.259,1107 8.592,1108 26.256,1109 3.179,1110 16.341,1111 18.744,1112 17.441,1113 32.835,1114 15.223,1115 1.82,1116 7.127,1117 28.194,1118 3.039,1119 17.536,1120 20.158,1121 18.783,1122 35.323,1123 16.334,1124 1.622,1125 4.946,1126 30.137,1127 2.676,1128 18.725,1129 21.528,1130 20.124,1131 37.806,1132 17.434,1133 8921,1134 16798,1135 20.285,1136 30.597,1137 48.747,1138 47.879,1139 48.799,1140 47.794,1141 47.581,1142 56.792,1143 18.294,1144 144.95,1145 44.058,1146 5.582,1147 6.472,1148 7.067,1149 5.391,1150 5.394,1151 7.121,1152 5.335,1153 20.012,1154 5.105,1155 15.109,1156 1.572,1157 1.544,1158 1.574,1159 1.542,1160 1.535,1161 1.832,1162 0.59,1163 4.676,1164 1.421,1165 4.023,1166 4.065,1167 3.983,1168 3.924,1169 8.513,1170 3.928,1171 3.908,1172 3.945,1173 3.872,1174 3.738,1175 7.999,1176 3.769,1177 3.728,1178 3.786,1179 3.625,1180 3.509,1181 7.999,1182 3.529,1183 3.421,1184 3.462,1185 3.387,1186 3.235,1187 7.429,1188 3.251,1189 3.304,1190 3.348,1191 3.265,1192 3.061,1193 4.831,1194 3.094,1195 3.171,1196 3.257,1197 2.989,1198 3.028,1199 4.667,1200 3.007,1201 3.111,1202 3.206,1203 2.931,1204 2.941,1205 4.6,1206 2.91,1207 3.032,1208 3.104,1209 2.866,1210 2.753,1211 4.254,1212 2.782,1213 0.148,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.582,1219 0.133,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.288,1225 0.1,1226 3.394,1227 4.121,1228 3.825,1229 12.291,1230 3.105,1231 1.951,1232 1.928,1233 2.053,1234 2.045,1235 1.242,1236 2.045,1237 1.781,1238 1.734,1239 1.94,1240 2.003,1241 1.207,1242 1.985,1243 1.558,1244 1.513,1245 1.69,1246 1.801,1247 0.825,1248 1.77,1249 1.463,1250 1.404,1251 1.634,1252 1.675,1253 0.798,1254 1.663,1255 1.21,1256 1.133,1257 1.552,1258 1.436,1259 0.746,1260 1.469,1261 1.158,1262 1.113,1263 1.513,1264 1.418,1265 0.603,1266 1.429,1267 1.153,1268 1.064,1269 1.363,1270 1.376,1271 0.481,1272 1.371,1273 0.969,1274 0.906,1275 1.119,1276 1.266,1277 0.219,1278 1.247,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.843,1287 10.4,1289 1.461,1291 39.576,1295 2.578,1297 5.329,1300 5.054,1301 -4.405,1305 30.406,1306 84.89,1307 177.186,1308 220.801,1309 227.556,1310 229.556,1311 229.556,1312 60.861,1313 7.767,1314 51.77,1315 51.77,1316 23,1317 12.743,1318 3.459,1319 3,1320 42.326,1321 104,1322 101,1323 0.2,1324 181.724,1325 338.23,1326 435.166,1327 25072,1328 6.4,1329 19.889,1330 0.71,1331 0.544,1332 17.389,1333 15.239,1334 13.342,1335 0.43,1336 0.288,1337 8.69,1338 12.491,1339 8.56,1340 6.973,1341 12.131,1342 8.913,1343 13.03,1344 0.283,1345 0.146,1346 11.035,1347 6.736,1348 10.509,1349 0.172,1350 0.082,1351 9.804,1352 5,1353 9.037,1354 0.112,1355 0.043,1356 8.053,1357 3.447,1358 7.015,1359 0.07,1360 0.022,1361 6.447,1362 2.23,1363 0.31,1364 85.977,1365 0.222,1366 26.366,1367 0.563,1368 154,1369 658.385,1370 185.962,1371 543.86,1372 713.57,1373 506,1374 184,1375 502.949,1376 210.923,1377 485.158,1378 738.13,1379 455,1380 6}
{0 CHEMBL1957856,1 1.775,2 9.346,3 3.268,4 10.681,5 102.804,6 8.939,7 0.207,8 3.917,9 4.023,10 3.644,11 3.452,12 4.998,13 3.447,14 4.487,15 4.655,16 4.066,17 3.865,18 5.559,19 3.843,20 4.703,21 4.882,22 4.266,23 4.038,24 5.801,25 3.98,26 4.754,27 4.964,28 4.056,29 4.006,30 5.827,31 3.914,32 4.693,33 4.917,34 3.994,35 3.929,36 5.713,37 3.854,38 4.66,39 4.836,40 4.096,41 3.92,42 5.833,43 3.875,44 4.627,45 4.815,46 4.016,47 3.896,48 5.782,49 3.804,50 4.531,51 4.744,52 3.769,53 3.762,54 5.59,55 3.62,56 0.081,57 0.662,58 6.657,59 3.696,60 5.995,61 4.51,62 0.433,63 1.086,64 16.72,65 6.409,66 20.877,67 7.828,68 0.544,69 1.261,70 27.651,71 8.392,72 36.697,73 10.214,74 0.65,75 1.286,76 30.287,77 9.131,78 48.069,79 11.868,80 0.499,81 1.2,82 29.233,83 8.849,84 40.191,85 11.71,86 0.607,87 1.149,88 22.529,89 7.449,90 56.711,91 8.604,92 0.704,93 1.048,94 27.373,95 8.07,96 53.68,97 9.926,98 0.442,99 0.898,100 26.962,101 8.734,102 45.189,103 11.148,104 17,105 42,106 0.308,107 0.662,108 0.816,109 0.843,110 0.843,111 0.843,112 3.305,113 0.947,114 -5.02,115 -4.92,116 -4.61,119 40.9,120 1,125 5,135 1,137 1,138 1,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 6,183 4,186 1,187 2,195 6,198 5,199 6,207 3,211 1,212 6,220 2,224 7,232 3,236 3,237 6,245 3,250 4,258 2,263 6,271 2,275 980,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.911,282 24.107,283 10.14,284 18.201,285 14.289,286 14.289,287 14.289,288 14.289,289 14.289,290 11.833,291 30.239,292 4.813,293 15.574,294 3.684,295 1.647,296 0.762,297 0.608,298 0.608,299 0.608,300 4,301 2,304 1,305 1,306 528,307 2.449,310 53.483,311 218.81,314 97.699,318 1.45,319 27.092,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.667,331 243,332 4.527,333 3.829,334 6.851,335 4.202,336 3.276,337 3.994,338 1.449,339 11.399,340 3.034,341 4.31,342 3.444,343 6.344,344 3.862,345 2.947,346 3.861,347 1.088,348 9.467,349 2.683,350 4.001,351 3.25,352 6.137,353 3.694,354 2.775,355 3.243,356 0.898,357 9.011,358 2.536,359 3.595,360 3.115,361 5.822,362 3.346,363 2.391,364 2.716,365 0.86,366 7.712,367 2.267,368 3.306,369 2.523,370 5.02,371 2.862,372 1.941,373 2.521,374 0.727,375 5.607,376 1.735,377 3.273,378 2.411,379 4.981,380 2.774,381 1.848,382 2.416,383 0.359,384 5.368,385 1.679,386 2.924,387 2.235,388 4.543,389 2.622,390 1.691,391 2.029,392 0.246,393 4.56,394 1.563,395 2.867,396 1.952,397 4.16,398 2.36,399 1.414,400 1.915,401 0.033,402 3.387,403 1.285,404 2.458,405 1.753,406 3.869,407 2.168,408 1.243,409 1.393,411 3.173,412 1.133,413 2.226,414 1.535,415 3.529,416 1.952,417 1.049,418 1.164,420 2.632,421 0.946,422 2,423 1.256,424 3.247,425 1.947,426 1,427 1,428 2.136,429 0.929,430 1.705,431 1.197,432 3.177,433 1.269,434 0.408,435 0.458,436 1.018,437 0.303,438 1.407,439 0.798,440 2.749,441 0.872,442 0.043,443 0.053,445 0.102,446 0.031,447 1.056,448 0.187,449 2.609,450 0.605,451 -0.314,452 -0.408,454 -0.779,455 -0.268,456 0.758,457 0.02,458 2.369,459 0.447,460 -0.527,461 -0.639,463 -1.314,464 -0.485,465 12.695,466 0.488,467 0.716,468 0.028,469 30,470 1.154,471 11.5,472 0.442,473 18.5,474 0.712,475 24.538,476 0.944,477 28.105,478 0.639,479 22.255,480 0.856,481 6.098,482 0.235,483 6.444,484 0.248,485 0.178,487 0.37,493 0.729,494 1.628,495 0.53,496 1.035,497 0.542,498 0.917,499 0.956,500 0.973,501 0.626,502 0.7,503 0.613,504 0.743,505 1.052,506 1.181,507 0.783,508 0.861,509 0.861,510 0.911,511 0.826,512 0.989,513 1.024,514 1.027,515 0.951,516 1.065,517 0.795,518 1.057,519 0.824,520 0.944,521 0.841,522 0.897,523 1.456,524 1.071,525 0.866,526 0.854,527 1.995,528 0.947,529 1.074,530 0.886,531 1.155,532 0.997,533 1.303,534 1.064,535 0.781,536 1.056,537 1.076,538 1.275,539 0.866,540 1.234,541 5,542 0.066,543 3.556,544 2.139,545 1.689,546 1.063,547 0.674,548 0.459,549 0.259,550 0.136,551 7504,552 24013,553 2.101,554 40.9,556 14,557 1,561 3,564 1.696,565 1.95,566 3.225,567 -0.684,568 1,569 1,573 78.098,574 1.775,575 3.812,576 4.698,577 4.851,578 4.851,579 4.851,580 2.687,581 4.393,582 4.673,583 3.353,584 1089.82,585 8.123,586 13167.4,588 1,590 1,591 240.215,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.049,598 0.044,599 0.028,600 0.018,601 0.014,602 0.011,603 0.008,604 0.434,605 0.5,606 1,607 0.596,608 124.972,609 -0.046,610 -0.421,611 0.027,612 -0.153,613 -0.028,614 -0.057,615 -0.02,616 0.175,617 0.06,618 0.172,619 0.026,620 0.125,621 -0.099,622 -0.104,623 0.075,624 0.063,625 -0.004,626 0.001,627 0.036,628 0.058,629 -0.114,630 -0.093,631 -0.013,632 -0.117,633 0.017,634 -0.054,635 0.036,637 0.001,638 0.085,639 -0.272,640 -0.007,641 -0.071,642 0.039,643 -0.302,644 -0.072,645 0.007,646 0.123,647 -0.131,648 -0.028,649 -0.036,650 -0.121,651 0.085,652 -0.169,653 -0.04,654 -0.237,655 0.099,656 -0.184,657 1.768,658 5.586,659 0.808,660 21,661 1.018,662 1.128,663 3.793,664 14.385,665 0.699,666 3.401,667 3.761,668 4.078,669 4.357,670 4.615,671 4.718,672 4.883,673 5.043,674 5.118,675 5.136,676 5.675,677 0.668,678 393.3,679 3.401,680 4.963,681 5.838,682 6.735,683 7.629,684 8.533,685 9.435,686 10.344,687 11.251,688 12.163,689 9.1,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 44,733 10,734 1,735 29,737 47,738 18,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,752 1,761 12,762 6,766 4,771 1,773 2,774 1,775 4,778 1,781 18,782 6,784 8,785 2,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 2,836 2,839 1,840 3,844 1,845 2,848 26,854 5,856 1,859 3,869 2,870 4.5,873 1,874 1,877 13.333,878 8.336,879 5.611,880 2.635,881 2.185,882 1.288,883 0.996,884 4.969,885 9.771,886 3.611,887 4.167,888 4.689,889 5.192,890 5.656,891 5.885,892 6.177,893 6.522,894 6.791,895 6.968,896 1,897 44,898 9.62,900 4.155,901 7.765,902 18.345,904 15.247,905 2.265,906 58.889,909 1,910 211.88,911 93.155,912 26.158,913 78.297,914 36.145,917 93.155,918 326.322,919 26.158,920 8.825,921 27.674,922 37.905,923 43.606,924 35.549,925 13.67,926 200.109,927 78.297,928 211.88,929 119.313,930 36.145,931 78.297,933 176.567,934 60.458,935 11,937 50.486,938 56.595,939 90.53,941 211.88,942 62.303,943 171.452,946 211.88,947 37.377,948 65.151,950 131.228,951 211.88,952 62.303,953 171.452,955 0.592,956 0.357,957 0.191,958 0.106,959 22,960 10,961 0.064,962 3,963 1,964 1.095,965 3.702,966 230.859,967 0.095,968 21,969 118.211,974 17.86,975 7.234,976 3.399,978 62.303,979 5.546,984 1.913,987 445.635,988 36,993 12.586,995 3.376,996 4.749,997 2.086,999 44.778,1000 49.622,1001 0.325,1002 0.698,1003 0.861,1004 0.889,1005 0.889,1006 0.889,1007 4.894,1008 1.414,1009 5.844,1010 4.56,1011 4.443,1012 4.852,1013 2.413,1014 6.698,1015 4.278,1016 6.096,1017 1.243,1018 7.434,1019 3.387,1020 4.111,1021 4.677,1022 1.104,1023 7.667,1024 3.829,1025 7.414,1026 1.049,1027 9.126,1028 3.173,1029 6.08,1030 6.946,1031 2.502,1032 10.804,1033 5.764,1034 8.762,1035 1,1036 10.875,1037 2.632,1038 6.567,1039 7.564,1040 1.85,1041 12.595,1042 6.127,1043 10.144,1044 0.408,1045 12.66,1046 2.136,1047 8.025,1048 9.337,1049 2.825,1050 15.25,1051 7.548,1052 11.548,1053 0.043,1054 14.47,1055 1.018,1056 8.879,1057 10.324,1058 2.579,1059 17.385,1060 8.289,1061 12.969,1062 -0.314,1063 16.298,1064 0.102,1065 10.142,1066 11.889,1067 3.31,1068 19.875,1069 9.501,1070 3.276,1071 -0.527,1072 18.138,1073 -0.779,1074 11.164,1075 13.059,1076 3.318,1077 22.163,1078 10.421,1079 2.947,1080 11.399,1081 19.989,1082 -1.314,1083 12.353,1084 14.528,1085 3.903,1086 24.596,1087 11.549,1088 2.775,1089 9.467,1090 21.849,1091 3.994,1092 13.45,1093 15.792,1094 4.064,1095 26.954,1096 12.555,1097 2.391,1098 9.011,1099 23.715,1100 3.861,1101 14.615,1102 17.214,1103 4.561,1104 29.373,1105 13.652,1106 1.941,1107 7.712,1108 25.587,1109 3.243,1110 15.747,1111 18.526,1112 4.81,1113 31.764,1114 14.7,1115 1.848,1116 5.607,1117 27.464,1118 2.716,1119 16.907,1120 19.924,1121 5.256,1122 34.182,1123 15.789,1124 1.691,1125 5.368,1126 29.346,1127 2.521,1128 18.057,1129 21.263,1130 5.556,1131 36.591,1132 16.859,1133 7157,1134 12936,1135 19.304,1136 30.739,1137 44.924,1138 46.493,1139 45.843,1140 44.183,1141 44.052,1142 53.527,1143 11.321,1144 131.146,1145 40.247,1146 5.527,1147 5.829,1148 6.653,1149 5.305,1150 5.276,1151 6.994,1152 2.578,1153 18.702,1154 5.034,1155 12.659,1156 1.549,1157 1.603,1158 1.581,1159 1.524,1160 1.519,1161 1.846,1162 0.39,1163 4.522,1164 1.388,1165 4.013,1166 4.057,1167 4.129,1168 3.905,1169 7.429,1170 3.904,1171 3.878,1172 3.903,1173 3.931,1174 3.75,1175 5.038,1176 3.772,1177 3.737,1178 3.792,1179 3.643,1180 3.535,1181 4.806,1182 3.551,1183 3.449,1184 3.49,1185 3.431,1186 3.287,1187 4.603,1188 3.296,1189 3.161,1190 3.232,1191 3.355,1192 3.02,1193 4.487,1194 3.006,1195 3.111,1196 3.206,1197 3.258,1198 2.941,1199 4.305,1200 2.91,1201 2.943,1202 3.011,1203 2.968,1204 2.837,1205 4.249,1206 2.806,1207 2.899,1208 2.917,1209 2.866,1210 2.677,1211 3.796,1212 2.676,1213 0.156,1214 0.132,1215 0.236,1216 0.145,1217 0.113,1218 4.527,1219 0.138,1220 3.829,1221 0.05,1222 6.851,1223 0.393,1224 4.202,1225 0.105,1226 3.276,1227 3.994,1228 1.449,1229 11.399,1230 3.034,1231 1.902,1232 1.884,1233 1.975,1234 2.016,1235 1.208,1236 2,1237 1.781,1238 1.734,1239 1.939,1240 1.966,1241 1.168,1242 1.973,1243 1.591,1244 1.541,1245 1.783,1246 1.805,1247 0.893,1248 1.784,1249 1.538,1250 1.487,1251 1.675,1252 1.736,1253 0.825,1254 1.739,1255 1.166,1256 1.104,1257 1.513,1258 1.376,1259 0.761,1260 1.429,1261 1.153,1262 1.064,1263 1.435,1264 1.368,1265 0.602,1266 1.397,1267 0.863,1268 0.827,1269 1.159,1270 1.171,1271 0.269,1272 1.162,1273 0.847,1274 0.785,1275 1.03,1276 0.996,1277 0.166,1278 1.001,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.844,1285 8.609,1286 7.034,1287 10.292,1289 1.945,1290 12.475,1295 3.212,1297 5.385,1300 5.616,1305 29.385,1306 78.098,1307 167.745,1308 206.705,1309 213.46,1310 213.46,1311 213.46,1312 41.346,1313 7.587,1314 51.77,1315 51.77,1316 23,1317 12.678,1318 3.459,1319 3,1320 37.826,1321 87,1322 88,1323 0.213,1324 185.203,1325 333.14,1326 443.654,1327 19481,1328 4.5,1329 18.259,1330 0.702,1331 0.608,1332 19.259,1333 15.795,1334 12.542,1335 0.432,1336 0.316,1337 8.309,1338 11.439,1339 8.058,1340 6.58,1341 13.119,1342 9.151,1343 11.574,1344 0.276,1345 0.168,1346 12.279,1347 7.077,1348 10.222,1349 0.176,1350 0.094,1351 11.233,1352 5.456,1353 8.392,1354 0.109,1355 0.046,1356 8.865,1357 3.564,1358 6.969,1359 0.07,1360 0.024,1361 7.312,1362 2.414,1363 0.325,1364 85.237,1365 0.228,1366 24.629,1367 0.614,1368 142,1369 442.458,1370 188.317,1371 479.652,1372 637.48,1373 448,1374 171,1375 425.026,1376 216.961,1377 445.855,1378 663.2,1379 419,1380 6.097}
{0 CHEMBL1957857,1 1.775,2 10.172,3 3.368,4 11.343,5 104.209,6 8.129,7 0.188,8 4.041,9 4.156,10 3.672,11 3.502,12 5.169,13 3.525,14 4.644,15 4.823,16 4.144,17 3.903,18 6.178,19 3.922,20 4.808,21 4.992,22 4.153,23 4.079,24 5.964,25 4.066,26 4.957,27 5.168,28 4.166,29 4.117,30 6.194,31 4.08,32 5.006,33 5.262,34 4.08,35 4.04,36 6.18,37 4.007,38 4.865,39 5.071,40 4.007,41 3.98,42 6.1,43 3.96,44 4.791,45 4.994,46 3.971,47 3.975,48 5.967,49 3.931,50 4.833,51 5.071,52 3.973,53 3.888,54 6.135,55 3.83,56 0.169,57 0.961,58 8.842,59 4.48,60 22.869,61 5.372,62 1.098,63 1.84,64 21.524,65 7.444,66 142.63,67 9.176,68 0.646,69 1.758,70 24.006,71 8.927,72 46.474,73 11.488,74 0.865,75 2.014,76 29.828,77 10.748,78 75.576,79 13.718,80 1.163,81 1.922,82 36.865,83 10.782,84 141.465,85 13.996,86 1.183,87 1.619,88 29.315,89 8.479,90 125.951,91 10.488,92 0.795,93 1.583,94 24.964,95 8.663,96 64.435,97 11.291,98 0.888,99 1.715,100 28.975,101 10.079,102 72.383,103 13.569,104 38,105 48,106 0.301,107 0.631,108 0.789,109 0.826,110 0.833,111 0.833,112 3.409,113 0.875,114 -5.09,115 -4.98,116 -4.67,119 40,120 2,125 5,132 1,135 1,137 1,138 1,139 1,142 3,143 3,158 1,159 1,172 7,174 5,175 6,183 8,186 1,187 3,195 5,198 5,199 7,207 2,211 1,212 7,220 3,224 9,232 4,236 3,237 6,245 3,250 6,258 3,263 4,271 1,275 1320,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.474,282 27.029,283 10.831,284 19.716,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 13.38,291 34.228,292 5.135,293 17.065,294 3.869,295 1.917,296 0.98,297 0.765,298 0.725,299 0.725,300 4.098,304 1,305 1,306 633,307 3.464,310 61.673,311 252.88,314 113.105,318 1.57,319 49.857,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 66.5,331 295,332 4.588,333 4.472,334 7.265,335 4.292,336 3.396,337 4.122,338 3.825,339 12.293,340 3.115,341 4.509,342 3.828,343 6.849,344 4.187,345 3.267,346 3.872,347 1.449,348 11.388,349 3.008,350 4.029,351 3.31,352 6.161,353 3.736,354 2.808,355 3.264,356 1.088,357 9.101,358 2.596,359 3.888,360 3.119,361 6.054,362 3.585,363 2.656,364 3.118,365 0.898,366 8.599,367 2.419,368 3.581,369 2.983,370 5.795,371 3.318,372 2.356,373 2.698,374 0.86,375 7.602,376 2.243,377 3.299,378 2.443,379 4.985,380 2.787,381 1.861,382 2.418,383 0.727,384 5.368,385 1.72,386 2.944,387 2.247,388 4.781,389 2.622,390 1.691,391 2.075,392 0.359,393 4.918,394 1.564,395 2.92,396 2.062,397 4.54,398 2.56,399 1.616,400 1.984,401 0.246,402 4.541,403 1.487,404 2.856,405 1.755,406 4.157,407 2.414,408 1.414,409 1.914,410 0.033,411 3.34,412 1.414,413 2.437,414 1.522,415 3.875,416 2.148,417 1.223,418 1.373,420 3.169,421 1.121,422 2.224,423 1.509,424 3.53,425 1.952,426 1.031,427 1.159,428 2.625,429 0.946,430 2,431 1.256,432 3.247,433 1.941,434 1,435 1,436 2.136,437 0.928,438 1.69,439 0.965,440 3.23,441 1.295,442 0.325,443 0.38,445 0.863,446 0.313,447 1.312,448 0.548,449 2.879,450 0.925,451 -0.053,452 -0.065,454 -0.131,455 -0.051,456 0.922,457 0.51,458 2.709,459 0.579,460 -0.413,461 -0.529,463 -1.099,464 -0.404,465 13.124,466 0.453,467 1.005,468 0.035,469 31.75,470 1.095,471 11.5,472 0.397,473 20.25,474 0.698,475 28.38,476 0.979,477 33.076,478 0.662,479 28.105,480 0.969,481 6.674,482 0.23,483 7.079,484 0.244,485 0.167,486 0.038,487 0.358,490 3,493 0.619,494 1.227,495 0.648,496 1.254,497 0.557,498 1.038,499 0.59,500 0.698,501 0.695,502 0.801,503 0.369,504 0.789,505 0.738,506 0.979,507 0.877,508 1.053,509 0.559,510 1.022,511 0.777,512 1.086,513 0.99,514 1.192,515 0.787,516 1.177,517 1.07,518 1.002,519 0.963,520 0.861,521 1.081,522 0.85,523 1.224,524 0.785,525 1.255,526 0.855,527 1.315,528 1.003,529 0.736,530 0.874,531 1.048,532 1.076,533 0.702,534 1.146,535 0.618,536 0.941,537 0.786,538 1.205,539 0.708,540 1.12,541 7,542 0.169,543 4.222,544 2.889,545 1.987,546 1.306,547 0.755,548 0.69,549 0.402,550 0.274,551 9877,552 33454,553 2.041,554 42,555 3,556 14,557 1,561 3,564 1.724,565 1.861,566 3.324,567 -0.683,568 1,569 1,573 88.761,574 1.775,575 3.726,576 4.663,577 4.879,578 4.919,579 4.919,580 2.76,581 4.418,582 4.831,583 3.487,584 1415.53,585 8.438,586 18537.2,588 1,590 1,591 282.193,592 1.694,593 4.757,594 0.219,595 0.008,596 0.088,597 0.058,598 0.042,599 0.03,600 0.018,601 0.018,602 0.011,603 0.011,604 0.503,605 0.5,606 1,607 0.805,608 145.065,609 -0.038,610 -0.237,611 0.055,612 -0.16,613 -0.068,614 -0.054,615 0.293,616 0.304,617 0.183,618 0.18,619 0.382,620 0.144,621 -0.078,622 -0.13,623 -0.05,624 -0.062,626 -0.048,627 -0.011,628 -0.154,629 -0.096,630 -0.209,631 -0.007,632 -0.196,633 -0.12,634 -0.031,635 0.053,636 0.094,637 -0.104,638 0.142,639 -0.216,640 0.161,641 -0.307,642 0.081,643 -0.237,644 -0.086,645 -0.033,646 -0.063,647 -0.18,648 -0.118,649 -0.032,650 -0.179,651 0.212,652 -0.052,653 0.185,654 -0.202,655 0.14,656 -0.083,657 5.66,658 5.616,659 0.724,660 24.535,661 1.029,662 1.152,663 3.858,664 14.881,665 0.647,666 3.497,667 3.892,668 4.174,669 4.466,670 4.7,671 4.796,672 4.99,673 5.153,674 5.22,675 5.313,676 6.177,677 0.639,678 406.45,679 3.497,680 5.081,681 5.953,682 6.868,683 7.76,684 8.677,685 9.578,686 10.495,687 11.401,688 12.32,689 8,692 2,696 1,698 1,704 3,709 3,711 6,731 50,733 10,734 1,735 32,737 53,738 20,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 3,757 1,761 12,762 8,766 4,771 1,773 2,774 1,775 4,778 1,779 3,781 21,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 2,836 2,839 1,840 3,844 2,846 3,848 29,854 5,856 1,859 3,860 1,869 3,870 4,873 1,874 1,877 15.583,878 9.729,879 6.111,880 2.984,881 2.238,882 1.286,883 0.989,884 5.176,885 10.065,886 3.689,887 4.256,888 4.769,889 5.288,890 5.746,891 5.984,892 6.321,893 6.631,894 6.867,895 7.134,896 0.857,897 50,898 11.237,900 5.322,901 8.187,902 20.021,904 16.672,905 2.687,906 77.917,908 1,909 1,910 247.193,911 109.109,912 26.158,914 36.145,915 44.88,917 109.109,918 283.338,919 71.039,920 17.65,921 27.674,922 37.905,923 43.606,924 79.799,925 13.67,926 235.422,927 7.76,928 247.193,929 135.268,930 81.025,933 211.88,934 105.339,935 11,937 67.07,938 55.965,939 12.233,941 292.073,942 62.303,943 109.109,946 254.953,947 36.747,948 73.976,950 97.811,951 247.193,952 107.184,953 109.109,955 0.603,956 0.351,957 0.189,958 0.102,959 25,960 12,961 0.057,962 3,963 1,964 1.095,965 3.859,966 269.329,967 0.095,968 21,969 132.127,974 19.994,975 7.508,976 3.792,978 107.184,979 4.161,984 0.063,987 463.486,988 39,993 12.616,995 3.147,996 4.652,997 1.483,999 51.436,1000 57.583,1001 0.315,1002 0.66,1003 0.826,1004 0.864,1005 0.871,1006 0.871,1007 5.001,1008 1.616,1009 6.004,1010 4.918,1011 4.575,1012 4.942,1013 3.434,1014 6.905,1015 4.432,1016 6.229,1017 1.414,1018 7.63,1019 4.541,1020 4.443,1021 4.879,1022 3.943,1023 8.109,1024 4.161,1025 7.569,1026 1.223,1027 9.365,1028 3.34,1029 6.301,1030 7.056,1031 5.469,1032 11.183,1033 6,1034 8.941,1035 1.031,1036 11.163,1037 3.169,1038 6.948,1039 7.751,1040 6.696,1041 13.166,1042 6.509,1043 10.345,1044 1,1045 13.001,1046 2.625,1047 8.36,1048 9.478,1049 8.063,1050 15.829,1051 7.883,1052 11.77,1053 0.325,1054 14.865,1055 2.136,1056 9.329,1057 10.521,1058 9.39,1059 18.109,1060 8.731,1061 13.213,1062 -0.053,1063 16.749,1064 0.863,1065 10.59,1066 12.066,1067 10.735,1068 20.645,1069 9.932,1070 3.396,1071 -0.413,1072 18.647,1073 -0.131,1074 11.692,1075 13.279,1076 12.074,1077 23.045,1078 10.93,1079 3.267,1080 12.293,1081 20.557,1082 -1.099,1083 12.904,1084 14.744,1085 13.417,1086 25.542,1087 12.069,1088 2.808,1089 11.388,1090 22.476,1091 4.122,1092 14.061,1093 16.044,1094 14.758,1095 27.992,1096 13.131,1097 2.656,1098 9.101,1099 24.403,1100 3.872,1101 15.261,1102 17.473,1103 16.1,1104 30.48,1105 14.251,1106 2.356,1107 8.599,1108 26.336,1109 3.264,1110 16.443,1111 18.819,1112 17.441,1113 32.952,1114 15.342,1115 1.861,1116 7.602,1117 28.275,1118 3.118,1119 17.641,1120 20.231,1121 18.783,1122 35.44,1123 16.458,1124 1.691,1125 5.368,1126 30.218,1127 2.698,1128 18.835,1129 21.602,1130 20.124,1131 37.922,1132 17.564,1133 9527,1134 17700,1135 20.69,1136 32.358,1137 50.427,1138 49.807,1139 50.941,1140 49.464,1141 49.288,1142 58.755,1143 18.971,1144 151.883,1145 45.747,1146 5.588,1147 6.472,1148 7.067,1149 5.396,1150 5.396,1151 7.122,1152 5.335,1153 20.015,1154 5.115,1155 16.803,1156 1.576,1157 1.556,1158 1.592,1159 1.546,1160 1.54,1161 1.836,1162 0.593,1163 4.746,1164 1.43,1165 4.031,1166 4.073,1167 3.992,1168 3.927,1169 8.513,1170 3.932,1171 3.912,1172 3.947,1173 3.877,1174 3.755,1175 7.999,1176 3.783,1177 3.742,1178 3.799,1179 3.64,1180 3.537,1181 7.999,1182 3.553,1183 3.459,1184 3.499,1185 3.396,1186 3.288,1187 7.429,1188 3.299,1189 3.342,1190 3.391,1191 3.315,1192 3.095,1193 4.826,1194 3.125,1195 3.175,1196 3.259,1197 3.006,1198 3.035,1199 4.667,1200 3.014,1201 3.111,1202 3.206,1203 2.935,1204 2.941,1205 4.598,1206 2.91,1207 3.073,1208 3.159,1209 2.866,1210 2.791,1211 4.283,1212 2.815,1213 0.143,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.588,1219 0.129,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.292,1225 0.097,1226 3.396,1227 4.122,1228 3.825,1229 12.293,1230 3.115,1231 1.952,1232 1.928,1233 2.054,1234 2.045,1235 1.245,1236 2.046,1237 1.782,1238 1.734,1239 1.94,1240 2.003,1241 1.207,1242 1.985,1243 1.594,1244 1.543,1245 1.789,1246 1.805,1247 0.912,1248 1.785,1249 1.543,1250 1.492,1251 1.679,1252 1.757,1253 0.825,1254 1.752,1255 1.212,1256 1.159,1257 1.553,1258 1.475,1259 0.776,1260 1.47,1261 1.207,1262 1.133,1263 1.513,1264 1.418,1265 0.629,1266 1.439,1267 1.153,1268 1.064,1269 1.449,1270 1.376,1271 0.598,1272 1.429,1273 0.974,1274 0.911,1275 1.16,1276 1.307,1277 0.269,1278 1.265,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.034,1287 10.46,1289 3.281,1291 39.814,1295 2.58,1297 5.348,1300 5.184,1301 -4.41,1305 31.933,1306 88.761,1307 186.319,1308 233.173,1309 243.928,1310 245.928,1311 245.928,1312 65.127,1313 7.826,1314 51.77,1315 51.77,1316 23,1317 12.832,1318 3.459,1319 3,1320 44.513,1321 106,1322 108,1323 0.205,1324 191.316,1325 355.53,1326 458.571,1327 26396,1328 6,1329 20.759,1330 0.716,1331 0.557,1332 18.259,1333 16.162,1334 13.753,1335 0.43,1336 0.292,1337 9.112,1338 12.906,1339 8.912,1340 7.288,1341 12.542,1342 9.334,1343 13.57,1344 0.283,1345 0.149,1346 11.574,1347 7.166,1348 10.927,1349 0.171,1350 0.083,1351 10.222,1352 5.318,1353 9.376,1354 0.109,1355 0.043,1356 8.392,1357 3.675,1358 7.537,1359 0.069,1360 0.023,1361 6.969,1362 2.454,1363 0.315,1364 88.404,1365 0.22,1366 27.027,1367 0.584,1368 160,1369 666.385,1370 192.295,1371 552.415,1372 727.06,1373 514,1374 192,1375 515.301,1376 219.256,1377 498.385,1378 758.09,1379 467,1380 5.699}
{0 CHEMBL1957858,1 1.746,2 10.167,3 3.892,4 15.145,5 108.733,6 7.934,7 0.182,8 4.09,9 4.208,10 3.702,11 3.554,12 5.198,13 3.569,14 4.697,15 4.88,16 4.165,17 3.956,18 6.197,19 3.963,20 4.873,21 5.069,22 4.188,23 4.129,24 5.995,25 4.108,26 5.001,27 5.209,28 4.219,29 4.176,30 6.222,31 4.139,32 5.083,33 5.338,34 4.144,35 4.133,36 6.22,37 4.091,38 4.971,39 5.187,40 4.106,41 4.097,42 6.175,43 4.069,44 4.911,45 5.106,46 4.066,47 4.111,48 6.081,49 4.058,50 4.964,51 5.203,52 4.064,53 4.048,54 6.184,55 3.974,56 0.149,57 0.999,58 9.855,59 4.81,60 22.477,61 5.918,62 1.091,63 1.901,64 23.326,65 8.015,66 144.015,67 10.146,68 0.633,69 1.83,70 27.031,71 9.65,72 50.434,73 12.901,74 0.831,75 2.113,76 31.504,77 11.112,78 73.751,79 14.415,80 1.13,81 2.066,82 39.406,83 11.6,84 138.198,85 15.404,86 1.196,87 1.782,88 33.351,89 9.578,90 126.678,91 12.454,92 0.829,93 1.764,94 28.398,95 10.075,96 77.815,97 13.175,98 0.907,99 1.918,100 32.984,101 11.534,102 82.352,103 15.734,104 41,105 49,106 0.292,107 0.627,108 0.816,109 0.831,110 0.837,111 0.837,112 3.441,113 0.9,114 -5.3,115 -5.19,116 -4.85,119 39.6,120 2,121 1,125 5,132 1,135 1,137 1,138 1,139 1,142 3,143 3,158 1,159 1,172 8,174 5,175 6,183 8,186 1,187 4,195 5,198 5,199 8,207 2,211 1,212 8,220 4,224 10,232 7,236 3,237 7,245 6,250 6,258 4,263 4,271 1,275 1486,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 18.397,282 28.242,283 11.355,284 20.578,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.801,291 36.145,292 5.294,293 17.499,294 3.982,295 1.98,296 0.849,297 0.76,298 0.722,299 0.722,300 4.131,304 1,305 1,306 652,307 3.606,310 64.162,311 263.05,314 118.205,318 1.522,319 50.616,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 68.5,331 305,332 4.589,333 4.472,334 7.265,335 4.293,336 3.396,337 4.122,338 3.825,339 12.293,340 3.117,341 4.515,342 3.832,343 6.869,344 4.197,345 3.276,346 3.879,347 1.449,348 11.49,349 3.017,350 4.041,351 3.323,352 6.172,353 3.745,354 2.815,355 3.282,356 1.088,357 9.145,358 2.611,359 3.891,360 3.12,361 6.055,362 3.586,363 2.656,364 3.123,365 0.898,366 8.599,367 2.419,368 3.592,369 2.988,370 5.834,371 3.344,372 2.382,373 2.704,374 0.86,375 7.765,376 2.268,377 3.338,378 2.498,379 5.111,380 2.842,381 1.899,382 2.468,383 0.727,384 5.749,385 1.786,386 2.944,387 2.274,388 4.789,389 2.67,390 1.75,391 2.075,392 0.359,393 4.927,394 1.601,395 2.93,396 2.091,397 4.541,398 2.564,399 1.619,400 1.985,401 0.246,402 4.583,403 1.491,404 2.856,405 1.756,406 4.212,407 2.414,408 1.414,409 1.926,410 0.033,411 3.39,412 1.414,413 2.437,414 1.555,415 3.875,416 2.15,417 1.223,418 1.374,420 3.169,421 1.123,422 2.23,423 1.511,424 3.549,425 1.97,426 1.064,427 1.175,428 2.662,429 0.954,430 2,431 1.256,432 3.266,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.832,439 1.05,440 3.247,441 1.501,442 0.527,443 0.612,445 1.101,446 0.51,447 1.401,448 0.609,449 2.98,450 1.19,451 0.21,452 0.232,454 0.429,455 0.205,456 1.308,457 0.51,458 2.723,459 0.811,460 -0.176,461 -0.225,463 -0.394,464 -0.171,465 13.624,466 0.454,467 0.967,468 0.032,469 32.25,470 1.075,471 11.5,472 0.383,473 20.75,474 0.692,475 30.563,476 1.019,477 34.376,478 0.649,479 28.758,480 0.959,481 6.63,482 0.221,483 7.661,484 0.255,485 0.161,486 0.037,487 0.345,490 3,493 0.615,494 1.236,495 0.669,496 1.264,497 0.554,498 1.055,499 0.584,500 0.719,501 0.715,502 0.839,503 0.369,504 0.826,505 0.712,506 0.969,507 0.824,508 1.016,509 0.542,510 0.97,511 0.801,512 1.105,513 1.002,514 1.183,515 0.796,516 1.165,517 1.055,518 1.009,519 0.977,520 0.887,521 1.054,522 0.882,523 1.157,524 0.747,525 1.168,526 0.811,527 1.224,528 0.936,529 0.774,530 0.898,531 1.106,532 1.138,533 0.789,534 1.215,535 0.595,536 0.915,537 0.829,538 1.195,539 0.679,540 1.138,541 7,542 0.182,543 4.222,544 2.889,545 2.112,546 1.361,547 0.852,548 0.706,549 0.497,550 0.284,551 10586,552 34795,553 2.04,554 43.4,555 6,556 14,557 1,561 2,564 1.734,565 1.865,566 3.324,567 -0.693,569 1,573 92.544,574 1.746,575 3.748,576 4.878,577 4.968,578 5.006,579 5.006,580 2.749,581 4.548,582 4.88,583 3.483,584 1515.31,585 8.545,586 20319.8,588 1,590 1,591 303.58,592 1.679,593 4.809,594 0.212,595 0.008,596 0.086,597 0.056,598 0.042,599 0.029,600 0.019,601 0.016,602 0.012,603 0.01,604 0.49,605 0.33,606 1,607 0.888,608 151.409,609 -0.033,610 -0.231,611 0.056,612 -0.152,613 -0.064,614 -0.05,615 0.301,616 0.29,617 0.173,618 0.153,619 0.381,620 0.12,621 -0.054,622 -0.128,623 0.026,624 -0.021,625 0.014,626 0.019,627 -0.023,628 -0.146,629 -0.111,630 -0.197,631 -0.011,632 -0.192,633 -0.119,634 -0.031,635 0.021,636 0.068,637 -0.099,638 0.1,639 -0.182,640 0.185,641 -0.217,642 0.126,643 -0.193,644 -0.006,645 -0.055,646 -0.077,647 -0.245,648 -0.159,649 -0.063,650 -0.243,651 0.188,652 -0.032,653 0.117,654 -0.191,655 0.11,656 -0.108,657 5.662,658 5.732,659 0.7,660 26.236,661 1.025,662 1.151,663 4.074,664 16.601,665 0.644,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.868,672 5.056,673 5.22,674 5.318,675 5.394,676 6.21,677 0.631,678 420.48,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.705,685 9.608,686 10.528,687 11.436,688 12.357,689 7.5,692 2,696 1,698 1,704 3,709 3,711 6,731 53,733 10,734 1,735 33,737 56,738 21,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 3,757 1,758 1,761 12,762 9,766 4,771 1,773 2,774 1,775 4,778 1,779 3,781 23,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 2,836 2,839 1,840 3,844 2,846 3,848 30,854 6,856 1,859 3,860 1,869 3,870 3.8,873 1,874 1,877 16.083,878 10.229,879 6.444,880 3.359,881 2.229,882 1.283,883 0.985,884 5.648,885 10.112,886 3.714,887 4.27,888 4.794,889 5.308,890 5.771,891 6.03,892 6.365,893 6.684,894 6.942,895 7.199,896 0.857,897 52,898 11.624,900 5.471,901 8.147,902 20.837,904 17.334,905 2.647,906 79.417,908 1,909 1,910 270.735,911 111.644,912 26.158,914 36.145,915 44.88,917 111.644,918 306.88,919 71.039,920 17.65,921 30.208,922 37.905,923 43.606,924 79.799,925 13.67,926 258.964,927 7.76,928 270.735,929 137.802,930 81.025,933 247.193,934 93.567,935 11,937 69.605,938 55.965,939 12.233,941 315.616,942 62.303,943 111.644,946 278.495,947 39.282,948 73.976,950 97.811,951 270.735,952 107.184,953 111.644,955 0.596,956 0.353,957 0.193,958 0.105,959 25,960 12,961 0.071,962 4,963 1,964 1.095,965 3.915,966 282.774,967 0.095,968 21,969 135.697,974 20.953,975 8.087,976 4.021,978 107.184,979 4.193,984 0.086,987 489.563,988 40,993 12.732,995 3.217,996 4.699,997 1.606,999 54.32,1000 60.998,1001 0.305,1002 0.654,1003 0.852,1004 0.867,1005 0.874,1006 0.874,1007 5.021,1008 1.619,1009 6.023,1010 4.927,1011 4.595,1012 4.956,1013 3.434,1014 6.925,1015 4.455,1016 6.243,1017 1.414,1018 7.648,1019 4.583,1020 4.443,1021 4.879,1022 3.943,1023 8.131,1024 4.161,1025 7.581,1026 1.223,1027 9.382,1028 3.39,1029 6.319,1030 7.068,1031 5.469,1032 11.206,1033 6.024,1034 8.952,1035 1.064,1036 11.18,1037 3.169,1038 6.957,1039 7.76,1040 6.696,1041 13.191,1042 6.523,1043 10.356,1044 1,1045 13.018,1046 2.662,1047 8.376,1048 9.489,1049 8.063,1050 15.854,1051 7.905,1052 11.782,1053 0.527,1054 14.882,1055 2.136,1056 9.341,1057 10.531,1058 9.39,1059 18.136,1060 8.749,1061 13.225,1062 0.21,1063 16.766,1064 1.101,1065 10.605,1066 12.076,1067 10.735,1068 20.673,1069 9.954,1070 3.396,1071 -0.176,1072 18.664,1073 0.429,1074 11.706,1075 13.29,1076 12.074,1077 23.074,1078 10.95,1079 3.276,1080 12.293,1081 20.574,1082 -0.394,1083 12.919,1084 14.754,1085 13.417,1086 25.573,1087 12.092,1088 2.815,1089 11.49,1090 22.493,1091 4.122,1092 14.077,1093 16.054,1094 14.758,1095 28.024,1096 13.154,1097 2.656,1098 9.145,1099 24.419,1100 3.879,1101 15.277,1102 17.483,1103 16.1,1104 30.513,1105 14.275,1106 2.382,1107 8.599,1108 26.352,1109 3.282,1110 16.459,1111 18.829,1112 17.441,1113 32.986,1114 15.367,1115 1.899,1116 7.765,1117 28.291,1118 3.123,1119 17.658,1120 20.241,1121 18.783,1122 35.474,1123 16.484,1124 1.75,1125 5.749,1126 30.234,1127 2.704,1128 18.853,1129 21.611,1130 20.124,1131 37.957,1132 17.591,1133 10252,1134 18766,1135 21.383,1136 34.12,1137 51.447,1138 50.934,1139 52.375,1140 50.704,1141 50.466,1142 59.914,1143 18.971,1144 154.877,1145 46.923,1146 5.589,1147 6.472,1148 7.067,1149 5.397,1150 5.396,1151 7.122,1152 5.335,1153 20.015,1154 5.117,1155 17.276,1156 1.559,1157 1.543,1158 1.587,1159 1.536,1160 1.529,1161 1.816,1162 0.575,1163 4.693,1164 1.422,1165 4.035,1166 4.077,1167 3.996,1168 3.929,1169 8.513,1170 3.935,1171 3.914,1172 3.948,1173 3.878,1174 3.763,1175 7.999,1176 3.789,1177 3.75,1178 3.807,1179 3.648,1180 3.555,1181 7.999,1182 3.568,1183 3.512,1184 3.564,1185 3.411,1186 3.34,1187 7.429,1188 3.346,1189 3.37,1190 3.422,1191 3.347,1192 3.133,1193 4.823,1194 3.155,1195 3.205,1196 3.273,1197 3.063,1198 3.038,1199 4.667,1200 3.025,1201 3.159,1202 3.248,1203 2.956,1204 2.943,1205 4.596,1206 2.947,1207 3.111,1208 3.206,1209 2.921,1210 2.941,1211 4.281,1212 2.91,1213 0.139,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.589,1219 0.125,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.293,1225 0.094,1226 3.396,1227 4.122,1228 3.825,1229 12.293,1230 3.117,1231 1.952,1232 1.929,1233 2.054,1234 2.046,1235 1.249,1236 2.046,1237 1.782,1238 1.734,1239 1.94,1240 2.004,1241 1.207,1242 1.985,1243 1.661,1244 1.606,1245 1.885,1246 1.831,1247 1.087,1248 1.847,1249 1.551,1250 1.503,1251 1.682,1252 1.794,1253 0.825,1254 1.765,1255 1.271,1256 1.208,1257 1.555,1258 1.524,1259 0.782,1260 1.514,1261 1.209,1262 1.133,1263 1.513,1264 1.418,1265 0.691,1266 1.469,1267 1.153,1268 1.064,1269 1.513,1270 1.378,1271 0.602,1272 1.429,1273 1.068,1274 1.001,1275 1.302,1276 1.376,1277 0.42,1278 1.318,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.844,1285 8.785,1286 7.05,1287 10.481,1289 3.422,1291 40.012,1295 3.215,1297 5.365,1300 5.281,1301 -4.412,1305 33.46,1306 92.544,1307 198.647,1308 258.56,1309 263.315,1310 265.315,1311 265.315,1312 69.215,1313 7.883,1314 51.77,1315 51.77,1316 23,1317 12.867,1318 3.459,1319 3,1320 46.742,1321 109,1322 115,1323 0.207,1324 200.909,1325 372.83,1326 481.977,1327 27864,1328 5.7,1329 21.466,1330 0.716,1331 0.562,1332 18.966,1333 16.869,1334 14.291,1335 0.433,1336 0.3,1337 9.673,1338 13.448,1339 9.477,1340 7.762,1341 13.08,1342 9.895,1343 13.761,1344 0.281,1345 0.15,1346 11.766,1347 7.37,1348 11.257,1349 0.171,1350 0.084,1351 10.552,1352 5.563,1353 9.653,1354 0.108,1355 0.043,1356 8.67,1357 3.867,1358 7.765,1359 0.068,1360 0.023,1361 7.197,1362 2.588,1363 0.317,1364 91.632,1365 0.216,1366 27.732,1367 0.595,1368 164,1369 670.385,1370 196.295,1371 556.177,1372 733.78,1373 518,1374 197,1375 521.301,1376 224.422,1377 503.557,1378 767.72,1379 473,1380 5.796}
{0 CHEMBL1957859,1 1.74,2 9.379,3 4.952,4 24.522,5 113.795,6 9.135,7 0.364,8 3.993,9 4.092,10 3.743,11 3.571,12 5.089,13 3.567,14 4.554,15 4.703,16 4.17,17 3.992,18 5.644,19 3.972,20 4.797,21 4.973,22 4.379,23 4.164,24 5.88,25 4.113,26 4.826,27 5.019,28 4.227,29 4.142,30 5.933,31 4.075,32 4.793,33 4.989,34 4.167,35 4.094,36 5.884,37 4.038,38 4.783,39 4.96,40 4.256,41 4.092,42 5.951,43 4.056,44 4.724,45 4.888,46 4.266,47 4.1,48 5.911,49 4.032,50 4.698,51 4.879,52 4.137,53 4.068,54 5.805,55 3.952,56 0.077,57 0.698,58 6.418,59 3.871,60 6.351,61 4.536,62 0.407,63 1.191,64 15.555,65 6.786,66 20.253,67 7.84,68 0.539,69 1.426,70 28.696,71 9.344,72 37.796,73 10.997,74 0.626,75 1.468,76 29.81,77 9.649,78 44.455,79 11.981,80 0.505,81 1.399,82 28.505,83 9.566,84 44.067,85 11.818,86 0.619,87 1.361,88 24.53,89 8.686,90 58.859,91 9.627,92 0.661,93 1.245,94 23.809,95 8.688,96 52.114,97 10.08,98 0.435,99 1.141,100 27.063,101 10.04,102 44.057,103 12.329,104 10,105 48,106 0.295,107 0.627,108 0.759,109 0.83,110 0.854,111 0.861,112 3.41,113 0.923,114 -5.53,115 -5.4,116 -5.04,119 44.7,125 5,135 1,139 1,142 7,143 1,144 4,158 1,159 1,172 6,174 5,175 7,183 6,186 1,187 5,195 7,198 5,199 10,207 4,211 1,212 9,220 5,224 9,232 7,236 3,237 8,245 8,250 4,258 8,263 7,271 4,275 1312,276 19.913,277 19.913,278 19.913,279 19.913,280 19.913,281 17.883,282 26.28,283 11.638,284 20.602,285 16.299,286 16.299,287 16.299,288 16.299,289 16.299,290 13.186,291 36.063,292 5.526,293 17.579,294 3.815,295 1.848,296 1.072,297 0.654,298 0.511,299 0.468,300 4.121,301 2,304 1,305 1,306 603,307 2.55,310 45.941,311 266.925,314 174.285,318 1.358,319 28.733,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 62.667,331 272,332 4.65,333 3.886,334 7.151,335 4.344,336 3.41,337 4.131,338 1.443,339 12.536,340 3.186,341 4.314,342 3.443,343 6.353,344 3.865,345 2.95,346 3.971,347 1.074,348 9.497,349 2.688,350 4.104,351 3.26,352 6.187,353 3.755,354 2.825,355 3.515,356 0.88,357 9.195,358 2.617,359 3.627,360 3.13,361 5.961,362 3.375,363 2.419,364 2.812,365 0.86,366 8.14,367 2.3,368 3.572,369 2.558,370 5.685,371 3.164,372 2.226,373 2.763,374 0.68,375 7.296,376 2.065,377 3.274,378 2.512,379 5.02,380 2.824,381 1.903,382 2.507,383 0.249,384 5.599,385 1.684,386 3.001,387 2.26,388 4.752,389 2.699,390 1.779,391 2.079,392 0.136,393 4.813,394 1.634,395 2.942,396 2.164,397 4.444,398 2.523,399 1.548,400 2.059,402 4.246,403 1.487,404 2.866,405 1.83,406 3.897,407 2.359,408 1.414,409 2.028,411 3.185,412 1.322,413 2.778,414 1.625,415 3.753,416 2.337,417 1.366,418 1.816,420 2.997,421 1.284,422 2.238,423 1.379,424 3.623,425 1.961,426 1.073,427 1.175,428 2.621,429 0.946,430 2.223,431 1.256,432 3.52,433 1.952,434 1,435 1.144,436 2.352,437 0.944,438 2,439 1.231,440 3.247,441 1.849,442 0.896,443 1,445 2.136,446 0.84,447 1.608,448 0.918,449 3.124,450 1.16,451 0.331,452 0.373,454 0.792,455 0.224,456 1.419,457 0.749,458 2.81,459 0.845,460 -0.043,461 -0.057,463 -0.11,464 -0.035,465 14.195,466 0.489,467 0.713,468 0.025,469 38,470 1.31,471 17.5,472 0.603,473 20.5,474 0.707,475 25.396,476 0.876,477 30.205,478 0.643,479 28.906,480 0.997,481 7.553,482 0.26,483 6.578,484 0.227,485 0.124,487 0.366,493 0.718,494 1.477,495 0.517,496 0.962,497 0.534,498 0.854,499 0.948,500 1.005,501 0.647,502 0.752,503 0.631,504 0.791,505 1.011,506 1.164,507 0.745,508 0.833,509 0.843,510 0.86,511 0.836,512 1.008,513 0.999,514 0.997,515 0.901,516 1.006,517 0.922,518 1.101,519 0.868,520 0.984,521 1.064,522 0.947,523 1.372,524 0.956,525 0.792,526 0.759,527 1.848,528 0.825,529 1.034,530 0.914,531 0.959,532 0.875,533 1.329,534 0.961,535 0.804,536 1.011,537 1.082,538 1.183,539 0.837,540 1.178,541 4.5,542 0.071,543 3.556,544 2.736,545 1.711,546 1.212,547 0.876,548 0.576,549 0.324,550 0.156,551 10017,552 30833,553 2.171,554 38.3,556 18,564 1.728,565 2.047,566 3.212,567 -0.717,573 81.768,574 1.74,575 3.706,576 4.482,577 4.9,578 5.044,579 5.087,580 2.66,581 4.582,582 4.829,583 3.347,584 1359,585 8.459,586 17568.7,588 1,591 261.066,592 1.361,593 4.797,594 0.136,595 0.005,596 0.074,597 0.053,598 0.036,599 0.026,600 0.018,601 0.013,602 0.009,603 0.006,604 0.376,605 0.5,606 0.75,607 0.506,608 143.376,609 -0.042,610 -0.338,611 0.027,612 -0.12,613 -0.026,614 -0.037,615 -0.02,616 0.128,617 0.019,618 0.104,619 -0.001,620 0.049,621 -0.065,622 -0.107,623 0.112,624 0.087,625 -0.003,626 0.055,627 0.042,628 0.061,629 -0.099,630 -0.074,631 0.029,632 -0.076,633 -0.04,634 -0.068,635 -0.032,636 -0.055,637 -0.043,638 0.003,639 -0.222,640 0.103,641 -0.001,642 0.143,643 -0.235,644 0.065,645 0.031,646 0.118,647 -0.028,648 0.068,649 -0.025,650 -0.048,651 0.051,652 -0.096,653 -0.026,654 -0.154,655 0.086,656 -0.155,657 1.774,658 6.048,659 0.862,660 24.663,661 1.017,662 1.12,663 4.296,664 18.457,665 0.718,666 3.526,667 3.892,668 4.248,669 4.585,670 4.89,671 5.056,672 5.298,673 5.509,674 5.624,675 5.714,676 5.766,677 0.689,678 429.33,679 3.526,680 5.094,681 5.984,682 6.895,683 7.807,684 8.729,685 9.652,686 10.581,687 11.511,688 12.445,689 8.5,692 1,695 1,696 1,698 1,704 7,709 5,711 12,726 1,730 2,731 47,733 15,734 2,735 33,737 51,738 21,739 12,740 5,741 7,742 4,746 5,747 8,748 2,750 1,761 16,762 5,766 3,771 1,773 1,774 1,775 3,781 18,782 6,784 8,785 2,790 4,794 0.6,795 2,811 1,812 4,815 2,827 1,831 1,836 1,839 1,840 3,845 2,848 29,854 5,856 1,859 3,869 2,870 4.3,873 1,874 1,877 14.167,878 8.586,879 6.25,880 2.848,881 2.953,882 1.36,883 1.028,884 4.997,885 11.163,886 3.761,887 4.344,888 4.924,889 5.488,890 6.024,891 6.301,892 6.721,893 7.16,894 7.503,895 7.825,896 1,897 52,898 10.741,900 4.72,901 7.726,902 20.534,904 17.395,905 2.226,906 64.556,909 1,910 211.88,911 115.944,912 26.158,913 78.297,914 36.145,917 115.944,918 326.322,919 26.158,921 18.626,922 75.81,923 40.849,924 41.062,925 1.899,926 211.88,927 78.297,928 211.88,929 142.102,930 36.145,931 78.297,933 211.88,934 25.145,935 11,937 38.536,938 94.09,939 87.774,941 211.88,942 62.303,943 194.241,946 211.88,947 40.134,948 85.183,950 131.228,951 211.88,952 62.303,953 194.241,955 0.588,956 0.359,957 0.203,958 0.116,959 26,960 11,961 0.059,962 3,963 2,964 1.16,965 3.941,966 281.815,967 0.16,968 25,969 136.881,974 18.944,975 7.65,976 3.32,978 62.303,979 13.344,984 3.605,987 468.424,988 42,993 13.048,995 1.599,996 4.865,997 1.138,999 47.778,1000 52.622,1001 0.313,1002 0.667,1003 0.807,1004 0.882,1005 0.908,1006 0.916,1007 5.037,1008 1.548,1009 5.984,1010 4.813,1011 4.575,1012 5.03,1013 2.363,1014 6.864,1015 4.43,1016 6.239,1017 1.414,1018 7.582,1019 4.246,1020 4.205,1021 4.808,1022 1.104,1023 7.888,1024 3.94,1025 7.557,1026 1.366,1027 9.286,1028 3.185,1029 6.225,1030 7.164,1031 2.46,1032 11.066,1033 5.944,1034 8.909,1035 1.073,1036 11.051,1037 2.997,1038 6.711,1039 7.761,1040 1.822,1041 12.957,1042 6.307,1043 10.297,1044 1,1045 12.857,1046 2.621,1047 8.201,1048 9.6,1049 2.786,1050 15.664,1051 7.775,1052 11.71,1053 0.896,1054 14.691,1055 2.352,1056 9.08,1057 10.587,1058 2.537,1059 17.919,1060 8.547,1061 13.143,1062 0.331,1063 16.545,1064 2.136,1065 10.372,1066 12.201,1067 3.27,1068 20.482,1069 9.799,1070 3.41,1071 -0.043,1072 18.414,1073 0.792,1074 11.43,1075 13.384,1076 3.269,1077 22.893,1078 10.767,1079 2.95,1080 12.536,1081 20.296,1082 -0.11,1083 12.652,1084 14.892,1085 3.856,1086 25.418,1087 11.937,1088 2.825,1089 9.497,1090 22.189,1091 4.131,1092 13.79,1093 16.177,1094 4.008,1095 27.894,1096 12.997,1097 2.419,1098 9.195,1099 24.09,1100 3.971,1101 14.993,1102 17.631,1103 4.507,1104 30.413,1105 14.141,1106 2.226,1107 8.14,1108 25.999,1109 3.515,1110 16.169,1111 18.969,1112 4.747,1113 32.917,1114 15.245,1115 1.903,1116 7.296,1117 27.915,1118 2.812,1119 17.37,1120 20.398,1121 5.193,1122 35.438,1123 16.384,1124 1.779,1125 5.599,1126 29.837,1127 2.763,1128 18.565,1129 21.765,1130 5.486,1131 37.955,1132 17.511,1133 9334,1134 16520,1135 22.482,1136 33.739,1137 51.05,1138 52.747,1139 51.983,1140 50.452,1141 50.278,1142 62.744,1143 10.643,1144 150.809,1145 46.44,1146 5.65,1147 5.886,1148 6.953,1149 5.447,1150 5.41,1151 7.131,1152 2.571,1153 20.031,1154 5.186,1155 11.797,1156 1.547,1157 1.598,1158 1.575,1159 1.529,1160 1.524,1161 1.901,1162 0.323,1163 4.57,1164 1.407,1165 4.064,1166 4.104,1167 4.135,1168 3.948,1169 7.429,1170 3.958,1171 3.889,1172 3.908,1173 3.995,1174 3.838,1175 5.04,1176 3.832,1177 3.802,1178 3.851,1179 3.718,1180 3.631,1181 4.857,1182 3.648,1183 3.583,1184 3.621,1185 3.498,1186 3.393,1187 4.648,1188 3.412,1189 3.287,1190 3.343,1191 3.429,1192 3.126,1193 4.523,1194 3.13,1195 3.111,1196 3.206,1197 3.298,1198 2.941,1199 4.487,1200 2.91,1201 2.981,1202 3.034,1203 3.114,1204 2.838,1205 4.277,1206 2.823,1207 2.903,1208 2.94,1209 2.911,1210 2.82,1211 3.975,1212 2.806,1213 0.141,1214 0.118,1215 0.217,1216 0.132,1217 0.103,1218 4.65,1219 0.125,1220 3.886,1221 0.044,1222 7.151,1223 0.38,1224 4.344,1225 0.097,1226 3.41,1227 4.131,1228 1.443,1229 12.536,1230 3.186,1231 1.914,1232 1.894,1233 1.998,1234 2.018,1235 1.208,1236 2.004,1237 1.861,1238 1.836,1239 1.956,1240 1.994,1241 1.178,1242 1.996,1243 1.77,1244 1.723,1245 1.928,1246 1.922,1247 1.062,1248 1.932,1249 1.549,1250 1.503,1251 1.675,1252 1.783,1253 0.825,1254 1.756,1255 1.249,1256 1.192,1257 1.513,1258 1.447,1259 0.771,1260 1.456,1261 1.153,1262 1.064,1263 1.465,1264 1.376,1265 0.628,1266 1.429,1267 0.916,1268 0.861,1269 1.151,1270 1.161,1271 0.261,1272 1.142,1273 0.847,1274 0.827,1275 1.061,1276 1.049,1277 0.188,1278 1.059,1279 4.205,1281 5.557,1282 2.398,1283 7.12,1284 4.949,1285 8.779,1286 7.248,1287 10.488,1290 12.652,1295 3.131,1297 5.429,1300 5.745,1305 32.385,1306 81.768,1307 174.195,1308 210.659,1309 230.311,1310 237.066,1311 239.066,1312 44.078,1313 8.21,1314 51.77,1315 51.77,1316 29,1317 12.945,1318 4,1319 3.322,1320 39.223,1321 98,1322 106,1323 0.195,1324 200.731,1325 356.5,1326 481.545,1327 41515,1328 4.3,1329 19.957,1330 0.688,1331 0.587,1332 20.957,1333 17.027,1334 14.131,1335 0.428,1336 0.308,1337 9.314,1338 13.038,1339 9.103,1340 7.407,1341 14.708,1342 10.155,1343 12.887,1344 0.268,1345 0.162,1346 13.591,1347 7.76,1348 11.637,1349 0.169,1350 0.088,1351 12.648,1352 6.096,1353 10.089,1354 0.104,1355 0.043,1356 10.562,1357 4.186,1358 8.632,1359 0.065,1360 0.022,1361 8.975,1362 2.922,1363 0.294,1364 94.735,1365 0.211,1366 26.772,1367 0.576,1368 162,1369 484.458,1370 208.65,1371 523.026,1372 704.91,1373 490,1374 198,1375 481.378,1376 244.627,1377 502.798,1378 753.69,1379 475,1380 4.886}
{0 CHEMBL1957860,1 1.743,2 9.333,3 3.782,4 14.303,5 108.622,6 8.667,7 0.2,8 3.972,9 4.082,10 3.674,11 3.506,12 5.038,13 3.494,14 4.548,15 4.724,16 4.104,17 3.917,18 5.594,19 3.891,20 4.759,21 4.937,22 4.326,23 4.108,24 5.839,25 4.055,26 4.854,27 5.056,28 4.146,29 4.122,30 5.929,31 4.029,32 4.869,33 5.105,34 4.053,35 4.054,36 5.877,37 3.963,38 4.783,39 4.981,40 4.152,41 4.018,42 5.892,43 3.959,44 4.714,45 4.898,46 4.138,47 4.02,48 5.853,49 3.932,50 4.709,51 4.912,52 3.931,53 3.975,54 5.751,55 3.819,56 0.066,57 0.701,58 7.748,59 4.033,60 5.55,61 5.073,62 0.419,63 1.149,64 18.989,65 7.009,66 21.616,67 8.896,68 0.531,69 1.355,70 29.522,71 8.737,72 33.577,73 10.927,74 0.62,75 1.449,76 32.025,77 10.018,78 43.657,79 13.26,80 0.598,81 1.397,82 35.28,83 10.499,84 56.551,85 14.08,86 0.612,87 1.285,88 27.862,89 8.862,90 58.058,91 11.042,92 0.694,93 1.175,94 28.545,95 8.686,96 50.784,97 10.935,98 0.453,99 1.082,100 32.674,101 10.649,102 47.853,103 13.621,104 26,105 44,106 0.299,107 0.629,108 0.784,109 0.815,110 0.837,111 0.837,112 3.341,113 0.958,114 -5.25,115 -5.13,116 -4.8,119 40.4,120 2,125 5,135 1,138 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 7,183 4,186 1,187 3,195 7,198 5,199 8,207 4,211 1,212 6,220 3,224 8,232 4,236 3,237 6,245 5,250 4,258 4,263 7,271 2,275 1086,276 18.052,277 18.052,278 18.052,279 18.052,280 18.052,281 16.359,282 25.251,283 10.359,284 18.757,285 14.742,286 14.742,287 14.742,288 14.742,289 14.742,290 12.189,291 31.545,292 4.885,293 16.032,294 3.812,295 1.888,296 0.984,297 0.798,298 0.67,299 0.67,300 4.033,301 2,304 1,305 1,306 545,307 2.55,310 55.731,311 228.039,314 101.963,318 1.407,319 27.878,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.667,331 252,332 4.634,333 3.903,334 7.089,335 4.311,336 3.38,337 4.039,338 1.46,339 12.193,340 3.147,341 4.313,342 3.445,343 6.351,344 3.864,345 2.949,346 3.952,347 1.104,348 9.488,349 2.683,350 4.074,351 3.276,352 6.164,353 3.733,354 2.808,355 3.386,356 0.898,357 9.106,358 2.589,359 3.597,360 3.133,361 5.918,362 3.347,363 2.393,364 2.731,365 0.86,366 7.939,367 2.268,368 3.472,369 2.575,370 5.526,371 3.032,372 2.097,373 2.621,374 0.728,375 6.592,376 1.938,377 3.274,378 2.518,379 5.02,380 2.818,381 1.897,382 2.5,383 0.491,384 5.596,385 1.681,386 2.924,387 2.257,388 4.687,389 2.637,390 1.725,391 2.03,392 0.359,393 4.641,394 1.569,395 2.867,396 2.187,397 4.416,398 2.408,399 1.445,400 1.915,401 0.158,402 4.035,403 1.367,404 2.674,405 1.834,406 3.879,407 2.358,408 1.414,409 1.644,411 3.181,412 1.282,413 2.23,414 1.567,415 3.553,416 1.971,417 1.093,418 1.179,420 2.667,421 0.952,422 2,423 1.256,424 3.34,425 1.952,426 1,427 1,428 2.136,429 0.946,430 1.754,431 1.228,432 3.247,433 1.425,434 0.534,435 0.584,436 1.322,437 0.436,438 1.421,439 0.812,440 2.851,441 0.899,442 0.11,443 0.124,445 0.251,446 0.072,447 1.164,448 0.722,449 2.805,450 0.79,451 -0.205,452 -0.248,454 -0.524,455 -0.199,456 0.938,457 0.086,458 2.55,459 0.59,460 -0.318,461 -0.409,463 -0.784,464 -0.268,465 13.195,466 0.489,467 0.789,468 0.029,469 30.5,470 1.13,471 11.5,472 0.426,473 19,474 0.704,475 27.556,476 1.021,477 29.405,478 0.626,479 22.924,480 0.849,481 6.137,482 0.227,483 6.832,484 0.253,485 0.209,487 0.394,493 0.724,494 1.622,495 0.546,496 1.052,497 0.552,498 0.939,499 0.926,500 0.996,501 0.604,502 0.702,503 0.599,504 0.726,505 1.09,506 1.169,507 0.781,508 0.826,509 0.869,510 0.872,511 0.821,512 1.097,513 1.028,514 1.111,515 0.883,516 1.141,517 0.909,518 1,519 0.825,520 0.905,521 1.149,522 0.902,523 1.318,524 1.033,525 0.79,526 0.815,527 1.818,528 0.883,529 1.078,530 0.888,531 1.098,532 0.943,533 1.25,534 1.026,535 0.817,536 1.134,537 1.24,538 1.391,539 0.88,540 1.348,541 5,542 0.066,543 3.778,544 2.861,545 1.774,546 1.23,547 0.852,548 0.585,549 0.307,550 0.151,551 8035,552 24976,553 2.075,554 42.6,556 14,561 6,564 1.707,565 1.906,566 3.216,567 -0.696,569 1,573 81.916,574 1.743,575 3.666,576 4.57,577 4.757,578 4.884,579 4.884,580 2.672,581 4.533,582 4.727,583 3.344,584 1173.9,585 8.24,586 14486.4,588 1,590 1,591 261.066,592 1.506,593 4.668,594 0.167,595 0.006,596 0.086,597 0.06,598 0.042,599 0.031,600 0.021,601 0.015,602 0.011,603 0.008,604 0.446,605 0.5,606 1,607 0.627,608 130.935,609 -0.036,610 -0.402,611 0.029,612 -0.146,613 -0.033,614 -0.053,615 0.016,616 0.149,617 0.099,618 0.184,619 0.043,620 0.162,621 -0.11,622 -0.057,623 0.075,624 0.093,625 -0.013,626 0.031,627 0.028,628 -0.016,629 -0.153,630 -0.184,631 0.017,632 -0.208,633 -0.031,634 -0.008,635 0.016,636 0.03,637 -0.082,638 0.071,639 -0.187,640 0.005,641 0.013,642 0.094,643 -0.226,644 0.028,645 -0.002,646 0.164,647 -0.105,648 0.016,649 -0.022,650 -0.097,651 0.038,652 -0.223,653 -0.145,654 -0.335,655 0.053,656 -0.307,657 1.752,658 5.807,659 0.778,660 21.992,661 1.014,662 1.128,663 4.016,664 16.126,665 0.691,666 3.434,667 3.807,668 4.143,669 4.431,670 4.682,671 4.804,672 4.99,673 5.142,674 5.215,675 5.22,676 5.677,677 0.658,678 407.33,679 3.434,680 5.004,681 5.889,682 6.795,683 7.698,684 8.613,685 9.526,686 10.446,687 11.364,688 12.288,689 8.5,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 47,733 10,734 1,735 30,737 50,738 19,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,752 2,761 12,762 7,766 4,771 1,773 1,774 1,775 5,778 1,781 20,782 6,784 8,785 2,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 3,836 2,839 1,840 3,844 2,845 2,848 27,854 5,856 1,859 3,869 2,870 4.3,873 1,874 1,877 14.167,878 9.252,879 5.833,880 2.848,881 2.158,882 1.282,883 0.99,884 5.206,885 9.809,886 3.638,887 4.212,888 4.743,889 5.246,890 5.704,891 5.95,892 6.274,893 6.612,894 6.882,895 7.043,896 1,897 48,898 10.002,900 4.31,901 7.743,902 19.119,904 15.895,905 2.243,906 60.556,909 1,910 235.422,911 95.689,912 26.158,913 78.297,914 36.145,917 95.689,918 349.864,919 26.158,920 17.65,921 18.626,922 37.905,923 46.363,924 35.549,925 1.899,926 235.422,927 78.297,928 235.422,929 121.848,930 36.145,931 78.297,933 164.795,934 95.772,935 11,937 59.311,938 47.547,939 93.287,941 235.422,942 62.303,943 173.987,946 235.422,947 40.134,948 64.928,950 131.228,951 235.422,952 62.303,953 173.987,955 0.596,956 0.366,957 0.196,958 0.106,959 23,960 11,961 0.06,962 3,963 1,964 1.095,965 3.722,966 246.104,967 0.095,968 21,969 124.382,974 18.813,975 7.472,976 3.378,978 62.303,979 5.568,984 1.921,987 471.712,988 37,993 12.807,995 1.599,996 4.81,997 3.038,999 47.662,1000 53.037,1001 0.314,1002 0.66,1003 0.823,1004 0.856,1005 0.879,1006 0.879,1007 4.931,1008 1.445,1009 5.905,1010 4.641,1011 4.489,1012 4.898,1013 2.461,1014 6.786,1015 4.33,1016 6.145,1017 1.414,1018 7.515,1019 4.035,1020 4.205,1021 4.783,1022 1.104,1023 7.813,1024 3.94,1025 7.475,1026 1.093,1027 9.226,1028 3.181,1029 6.151,1030 7.022,1031 2.542,1032 10.973,1033 5.847,1034 8.838,1035 1,1036 10.995,1037 2.667,1038 6.686,1039 7.695,1040 1.877,1041 12.833,1042 6.273,1043 10.234,1044 0.534,1045 12.801,1046 2.136,1047 8.134,1048 9.448,1049 2.873,1050 15.529,1051 7.679,1052 11.653,1053 0.11,1054 14.632,1055 1.322,1056 9.034,1057 10.478,1058 2.631,1059 17.746,1060 8.481,1061 13.09,1062 -0.205,1063 16.482,1064 0.251,1065 10.304,1066 12.034,1067 3.371,1068 20.292,1069 9.697,1070 3.38,1071 -0.318,1072 18.346,1073 -0.524,1074 11.366,1075 13.238,1076 3.39,1077 22.665,1078 10.673,1079 2.949,1080 12.193,1081 20.222,1082 -0.784,1083 12.575,1084 14.705,1085 3.979,1086 25.166,1087 11.82,1088 2.808,1089 9.488,1090 22.107,1091 4.039,1092 13.71,1093 15.995,1094 4.151,1095 27.607,1096 12.876,1097 2.393,1098 9.106,1099 24.002,1100 3.952,1101 14.903,1102 17.42,1103 4.652,1104 30.098,1105 14.003,1106 2.097,1107 7.939,1108 25.903,1109 3.386,1110 16.071,1111 18.754,1112 4.913,1113 32.57,1114 15.097,1115 1.897,1116 6.592,1117 27.812,1118 2.731,1119 17.263,1120 20.159,1121 5.363,1122 35.062,1123 16.222,1124 1.725,1125 5.596,1126 29.725,1127 2.621,1128 18.448,1129 21.516,1130 5.674,1131 37.548,1132 17.336,1133 7709,1134 13729,1135 19.709,1136 32.5,1137 46.401,1138 48.188,1139 47.981,1140 45.714,1141 45.692,1142 55.407,1143 12.114,1144 138.293,1145 41.858,1146 5.634,1147 5.903,1148 6.891,1149 5.414,1150 5.38,1151 7.039,1152 2.593,1153 19.677,1154 5.147,1155 14.385,1156 1.547,1157 1.606,1158 1.599,1159 1.524,1160 1.523,1161 1.847,1162 0.404,1163 4.61,1164 1.395,1165 4.024,1166 4.069,1167 4.131,1168 3.91,1169 7.429,1170 3.912,1171 3.88,1172 3.904,1173 3.947,1174 3.77,1175 5.038,1176 3.787,1177 3.751,1178 3.805,1179 3.656,1180 3.557,1181 4.802,1182 3.571,1183 3.471,1184 3.511,1185 3.431,1186 3.306,1187 4.601,1188 3.317,1189 3.215,1190 3.29,1191 3.373,1192 3.058,1193 4.487,1194 3.049,1195 3.111,1196 3.206,1197 3.272,1198 2.941,1199 4.316,1200 2.91,1201 3.041,1202 3.151,1203 3.018,1204 2.838,1205 4.259,1206 2.806,1207 2.904,1208 2.946,1209 2.866,1210 2.83,1211 3.834,1212 2.797,1213 0.154,1214 0.13,1215 0.236,1216 0.144,1217 0.113,1218 4.634,1219 0.135,1220 3.903,1221 0.049,1222 7.089,1223 0.406,1224 4.311,1225 0.105,1226 3.38,1227 4.039,1228 1.46,1229 12.193,1230 3.147,1231 1.903,1232 1.884,1233 1.976,1234 2.016,1235 1.208,1236 2,1237 1.785,1238 1.739,1239 1.94,1240 1.968,1241 1.172,1242 1.976,1243 1.654,1244 1.605,1245 1.845,1246 1.835,1247 0.989,1248 1.833,1249 1.54,1250 1.491,1251 1.678,1252 1.756,1253 0.825,1254 1.744,1255 1.206,1256 1.143,1257 1.52,1258 1.42,1259 0.775,1260 1.451,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.61,1266 1.429,1267 1.081,1268 0.977,1269 1.435,1270 1.336,1271 0.572,1272 1.385,1273 0.847,1274 0.827,1275 1.057,1276 1.118,1277 0.217,1278 1.089,1279 4.111,1281 5.468,1282 2.398,1283 7.029,1284 4.949,1285 8.68,1286 7.209,1287 10.378,1289 3.909,1290 12.546,1295 3.209,1297 5.404,1300 5.745,1305 30.911,1306 81.916,1307 172.311,1308 214.801,1309 223.556,1310 229.556,1311 229.556,1312 44.951,1313 7.65,1314 51.77,1315 51.77,1316 23,1317 12.795,1318 3.459,1319 3,1320 39.92,1321 90,1322 94,1323 0.218,1324 194.795,1325 350.44,1326 467.06,1327 20585,1328 4.3,1329 19.129,1330 0.708,1331 0.619,1332 20.129,1333 16.718,1334 12.969,1335 0.432,1336 0.319,1337 8.737,1338 11.867,1339 8.421,1340 6.896,1341 13.547,1342 9.578,1343 11.993,1344 0.273,1345 0.169,1346 12.697,1347 7.442,1348 10.83,1349 0.175,1350 0.096,1351 11.84,1352 5.946,1353 8.913,1354 0.107,1355 0.046,1356 9.386,1357 3.826,1358 7.19,1359 0.067,1360 0.024,1361 7.532,1362 2.555,1363 0.33,1364 87.764,1365 0.225,1366 25.319,1367 0.634,1368 148,1369 450.458,1370 194.65,1371 487.734,1372 651.45,1373 456,1374 180,1375 438.378,1376 226.294,1377 459.163,1378 685.13,1379 432,1380 5.796}
{0 CHEMBL1957861,1 1.746,2 10.133,3 3.882,4 15.067,5 110.028,6 7.934,7 0.182,8 4.09,9 4.208,10 3.702,11 3.554,12 5.204,13 3.569,14 4.697,15 4.881,16 4.179,17 3.954,18 6.197,19 3.966,20 4.858,21 5.041,22 4.219,23 4.146,24 5.997,25 4.135,26 5.039,27 5.244,28 4.247,29 4.222,30 6.266,31 4.178,32 5.137,33 5.399,34 4.134,35 4.152,36 6.286,37 4.101,38 4.966,39 5.188,40 4.068,41 4.073,42 6.147,43 4.038,44 4.865,45 5.064,46 4.069,47 4.087,48 6.021,49 4.043,50 4.963,51 5.187,52 4.072,53 4.083,54 6.203,55 4.002,56 0.149,57 0.999,58 9.855,59 4.81,60 21.843,61 5.918,62 1.092,63 1.904,64 23.48,65 7.967,66 145.256,67 10.146,68 0.622,69 1.863,70 25.751,71 9.316,72 46.425,73 12.229,74 0.816,75 2.181,76 32.246,77 11.741,78 68.048,79 15.23,80 1.25,81 2.087,82 42.545,83 12.188,84 158.485,85 16.309,86 1.195,87 1.747,88 33.673,89 9.688,90 130.921,91 12.72,92 0.785,93 1.736,94 27.033,95 9.419,96 63.08,97 12.409,98 0.846,99 1.957,100 31.739,101 11.972,102 75.073,103 16.003,104 51,105 50,106 0.292,107 0.599,108 0.756,109 0.804,110 0.829,111 0.829,112 3.441,113 0.887,114 -5.3,115 -5.19,116 -4.85,119 39.6,120 3,125 5,132 1,135 1,138 2,139 1,142 3,143 3,158 1,159 1,172 7,174 5,175 7,183 8,186 1,187 4,195 6,198 5,199 9,207 3,211 1,212 7,220 4,224 10,232 6,236 3,237 6,245 6,250 6,258 4,263 5,271 1,275 1452,276 19.524,277 19.524,278 19.524,279 19.524,280 19.524,281 17.921,282 28.173,283 11.049,284 20.272,285 16.237,286 16.237,287 16.237,288 16.237,289 16.237,290 13.736,291 35.533,292 5.207,293 17.524,294 3.982,295 2.146,296 1.208,297 0.925,298 0.774,299 0.774,300 4.128,304 1,305 1,306 650,307 3.536,310 63.921,311 262.11,314 117.369,318 1.551,319 50.843,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 68.5,331 304,332 4.641,333 4.472,334 7.266,335 4.325,336 3.407,337 4.127,338 3.825,339 12.31,340 3.163,341 4.567,342 3.902,343 7.088,344 4.266,345 3.362,346 4.002,347 1.46,348 12.17,349 3.076,350 4.082,351 3.327,352 6.178,353 3.754,354 2.824,355 3.389,356 1.104,357 9.153,358 2.626,359 3.914,360 3.133,361 6.09,362 3.611,363 2.679,364 3.145,365 0.898,366 8.709,367 2.44,368 3.581,369 3.007,370 5.875,371 3.319,372 2.356,373 2.701,374 0.86,375 7.785,376 2.248,377 3.456,378 2.548,379 5.521,380 2.999,381 2.066,382 2.603,383 0.728,384 6.573,385 1.919,386 2.959,387 2.307,388 4.806,389 2.638,390 1.727,391 2.081,392 0.491,393 4.956,394 1.569,395 2.922,396 2.247,397 4.666,398 2.582,399 1.631,400 1.989,401 0.359,402 4.602,403 1.518,404 2.857,405 1.892,406 4.412,407 2.414,408 1.414,409 1.915,410 0.158,411 3.983,412 1.414,413 2.641,414 1.562,415 3.884,416 2.359,417 1.4,418 1.617,420 3.172,421 1.321,422 2.229,423 1.512,424 3.555,425 1.97,426 1.088,427 1.177,428 2.664,429 0.952,430 2,431 1.256,432 3.362,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.733,439 0.979,440 3.247,441 1.435,442 0.469,443 0.525,445 1.207,446 0.451,447 1.35,448 0.769,449 2.961,450 0.967,451 -0.009,452 -0.01,454 -0.021,455 -0.008,456 1.082,457 0.51,458 2.85,459 0.79,460 -0.207,461 -0.258,463 -0.532,464 -0.201,465 13.624,466 0.454,467 1.077,468 0.036,469 32.25,470 1.075,471 11.5,472 0.383,473 20.75,474 0.692,475 31.535,476 1.051,477 34.376,478 0.649,479 28.868,480 0.962,481 6.713,482 0.224,483 7.467,484 0.249,485 0.197,486 0.037,487 0.382,490 3,493 0.615,494 1.236,495 0.669,496 1.264,497 0.559,498 1.055,499 0.576,500 0.717,501 0.665,502 0.801,503 0.364,504 0.772,505 0.759,506 0.981,507 0.871,508 1.014,509 0.563,510 0.981,511 0.766,512 1.122,513 1.025,514 1.262,515 0.753,516 1.241,517 1.074,518 0.949,519 0.996,520 0.849,521 1.112,522 0.868,523 1.134,524 0.764,525 1.148,526 0.827,527 1.224,528 0.945,529 0.745,530 0.857,531 1.05,532 1.041,533 0.683,534 1.114,535 0.575,536 0.984,537 0.892,538 1.343,539 0.677,540 1.283,541 7,542 0.169,543 4.444,544 3.611,545 2.072,546 1.473,547 0.933,548 0.785,549 0.524,550 0.29,551 10504,552 34651,553 2.02,554 43.4,555 3,556 14,561 6,564 1.734,565 1.827,566 3.317,567 -0.693,569 1,573 92.544,574 1.746,575 3.582,576 4.52,577 4.803,578 4.954,579 4.954,580 2.759,581 4.257,582 4.88,583 3.478,584 1512.91,585 8.543,586 20169.9,588 1,590 1,591 303.58,592 1.715,593 4.797,594 0.212,595 0.008,596 0.089,597 0.067,598 0.041,599 0.032,600 0.021,601 0.018,602 0.013,603 0.01,604 0.511,605 0.5,606 1,607 0.817,608 151.196,609 -0.033,610 -0.231,611 0.056,612 -0.152,613 -0.07,614 -0.05,615 0.31,616 0.288,617 0.228,618 0.189,619 0.387,620 0.175,621 -0.089,622 -0.105,623 -0.041,624 -0.018,625 -0.006,626 -0.01,627 -0.014,628 -0.168,629 -0.147,630 -0.267,631 0.004,632 -0.261,633 -0.128,634 -0.016,635 0.016,636 0.093,637 -0.119,638 0.114,639 -0.163,640 0.152,641 -0.187,642 0.114,643 -0.192,644 -0.004,645 -0.048,646 -0.016,647 -0.193,648 -0.07,649 -0.03,650 -0.149,651 0.19,652 -0.077,653 0.027,654 -0.309,655 0.105,656 -0.244,657 5.664,658 5.836,659 0.7,660 25.693,661 1.025,662 1.151,663 4.074,664 16.601,665 0.644,666 3.526,667 3.932,668 4.234,669 4.533,670 4.762,671 4.875,672 5.088,673 5.242,674 5.323,675 5.398,676 6.175,677 0.631,678 420.48,679 3.526,680 5.118,681 5.999,682 6.921,683 7.821,684 8.747,685 9.656,686 10.584,687 11.499,688 12.428,689 7.5,692 2,696 1,698 1,704 3,709 3,711 6,731 53,733 10,734 1,735 33,737 56,738 21,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 4,757 1,761 12,762 9,766 4,771 1,773 1,774 1,775 5,778 1,779 3,781 23,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 3,836 2,839 1,840 3,844 3,846 3,848 30,854 5,856 1,859 3,860 1,869 3,870 3.8,873 1,874 1,877 16.417,878 10.645,879 6.333,880 3.196,881 2.215,882 1.281,883 0.985,884 5.414,885 10.099,886 3.714,887 4.297,888 4.818,889 5.337,890 5.79,891 6.042,892 6.405,893 6.712,894 6.965,895 7.203,896 0.857,897 54,898 11.623,900 5.482,901 8.153,902 20.795,904 17.32,905 2.653,906 79.583,908 1,909 1,910 270.735,911 111.644,912 26.158,914 36.145,915 44.88,917 111.644,918 306.88,919 71.039,920 26.476,921 18.626,922 37.905,923 46.363,924 79.799,925 1.899,926 270.735,927 7.76,928 270.735,929 137.802,930 81.025,933 200.109,934 140.652,935 11,937 75.895,938 46.917,939 14.99,941 315.616,942 62.303,943 111.644,946 278.495,947 39.504,948 73.754,950 97.811,951 270.735,952 107.184,953 111.644,955 0.605,956 0.36,957 0.194,958 0.103,959 26,960 13,961 0.054,962 3,963 1,964 1.095,965 3.879,966 285.285,967 0.095,968 21,969 138.452,974 20.953,975 7.751,976 3.78,978 107.184,979 4.182,984 0.071,987 489.563,988 40,993 12.836,995 1.505,996 4.712,997 2.288,999 54.32,1000 60.998,1001 0.305,1002 0.625,1003 0.789,1004 0.839,1005 0.865,1006 0.865,1007 5.034,1008 1.631,1009 6.057,1010 4.956,1011 4.615,1012 4.984,1013 3.452,1014 6.976,1015 4.476,1016 6.271,1017 1.414,1018 7.697,1019 4.602,1020 4.511,1021 4.966,1022 3.943,1023 8.205,1024 4.242,1025 7.622,1026 1.4,1027 9.445,1028 3.983,1029 6.358,1030 7.124,1031 5.471,1032 11.302,1033 6.066,1034 9.004,1035 1.088,1036 11.255,1037 3.172,1038 7.031,1039 7.861,1040 6.696,1041 13.308,1042 6.612,1043 10.419,1044 1,1045 13.103,1046 2.664,1047 8.439,1048 9.575,1049 8.063,1050 15.995,1051 7.978,1052 11.856,1053 0.469,1054 14.977,1055 2.136,1056 9.43,1057 10.65,1058 9.39,1059 18.3,1060 8.859,1061 13.309,1062 -0.009,1063 16.87,1064 1.207,1065 10.696,1066 12.188,1067 10.735,1068 20.859,1069 10.064,1070 3.407,1071 -0.207,1072 18.777,1073 -0.021,1074 11.816,1075 13.425,1076 12.074,1077 23.284,1078 11.088,1079 3.362,1080 12.31,1081 20.695,1082 -0.532,1083 13.038,1084 14.889,1085 13.417,1086 25.803,1087 12.239,1088 2.824,1089 12.17,1090 22.623,1091 4.127,1092 14.211,1093 16.206,1094 14.758,1095 28.274,1096 13.324,1097 2.679,1098 9.153,1099 24.557,1100 4.002,1101 15.422,1102 17.636,1103 16.1,1104 30.782,1105 14.459,1106 2.356,1107 8.709,1108 26.498,1109 3.389,1110 16.617,1111 18.994,1112 17.441,1113 33.273,1114 15.571,1115 2.066,1116 7.785,1117 28.444,1118 3.145,1119 17.828,1120 20.409,1121 18.783,1122 35.777,1123 16.703,1124 1.727,1125 6.573,1126 30.395,1127 2.701,1128 19.034,1129 21.788,1130 20.124,1131 38.276,1132 17.828,1133 10181,1134 18667,1135 21.096,1136 34.12,1137 51.925,1138 51.446,1139 53.113,1140 51.051,1141 50.847,1142 60.544,1143 19.765,1144 158.836,1145 47.283,1146 5.641,1147 6.472,1148 7.068,1149 5.428,1150 5.407,1151 7.127,1152 5.335,1153 20.037,1154 5.163,1155 18.442,1156 1.573,1157 1.559,1158 1.609,1159 1.547,1160 1.541,1161 1.835,1162 0.599,1163 4.813,1164 1.433,1165 4.04,1166 4.082,1167 4.003,1168 3.931,1169 8.513,1170 3.938,1171 3.918,1172 3.951,1173 3.883,1174 3.776,1175 7.999,1176 3.801,1177 3.754,1178 3.81,1179 3.654,1180 3.558,1181 7.999,1182 3.572,1183 3.474,1184 3.514,1185 3.4,1186 3.306,1187 7.429,1188 3.318,1189 3.361,1190 3.412,1191 3.34,1192 3.119,1193 4.822,1194 3.146,1195 3.183,1196 3.261,1197 3.045,1198 3.037,1199 4.667,1200 3.019,1201 3.127,1202 3.22,1203 2.947,1204 2.941,1205 4.597,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.859,1211 4.302,1212 2.868,1213 0.141,1214 0.136,1215 0.22,1216 0.131,1217 0.103,1218 4.641,1219 0.125,1220 4.472,1221 0.116,1222 7.266,1223 0.373,1224 4.325,1225 0.096,1226 3.407,1227 4.127,1228 3.825,1229 12.31,1230 3.163,1231 1.952,1232 1.928,1233 2.054,1234 2.045,1235 1.246,1236 2.046,1237 1.786,1238 1.739,1239 1.941,1240 2.005,1241 1.207,1242 1.987,1243 1.657,1244 1.608,1245 1.85,1246 1.836,1247 1.001,1248 1.836,1249 1.544,1250 1.495,1251 1.684,1252 1.775,1253 0.825,1254 1.755,1255 1.239,1256 1.186,1257 1.553,1258 1.49,1259 0.8,1260 1.471,1261 1.209,1262 1.133,1263 1.521,1264 1.418,1265 0.634,1266 1.467,1267 1.153,1268 1.064,1269 1.513,1270 1.383,1271 0.599,1272 1.429,1273 1.099,1274 1.006,1275 1.449,1276 1.376,1277 0.574,1278 1.411,1279 4.205,1281 5.587,1282 2.398,1283 7.163,1284 4.949,1285 8.825,1286 7.209,1287 10.533,1289 5.14,1291 40.006,1295 2.576,1297 5.367,1300 5.313,1301 -4.414,1305 33.46,1306 92.544,1307 189.85,1308 239.541,1309 254.56,1310 262.56,1311 262.56,1312 69.875,1313 7.883,1314 51.77,1315 51.77,1316 23,1317 12.933,1318 3.459,1319 3,1320 46.768,1321 109,1322 114,1323 0.209,1324 200.909,1325 372.83,1326 481.977,1327 27716,1328 5.7,1329 21.629,1330 0.721,1331 0.569,1332 19.129,1333 17.084,1334 14.181,1335 0.43,1336 0.296,1337 9.54,1338 13.334,1339 9.275,1340 7.603,1341 12.969,1342 9.761,1343 13.988,1344 0.28,1345 0.151,1346 11.993,1347 7.532,1348 11.535,1349 0.17,1350 0.085,1351 10.83,1352 5.808,1353 9.896,1354 0.108,1355 0.043,1356 8.913,1357 3.938,1358 7.758,1359 0.067,1360 0.022,1361 7.19,1362 2.595,1363 0.32,1364 90.931,1365 0.218,1366 27.693,1367 0.601,1368 166,1369 674.385,1370 198.628,1371 560.498,1372 741.03,1373 522,1374 201,1375 528.653,1376 228.589,1377 511.693,1378 780.02,1379 480,1380 5.398}
{0 CHEMBL1957862,1 1.498,2 10,3 4.532,4 20.535,5 120.636,6 7.745,7 0.472,8 4.102,9 4.211,10 3.73,11 3.679,12 5.166,13 3.671,14 4.659,15 4.815,16 4.121,17 4.098,18 5.697,19 4.074,20 4.905,21 5.098,22 4.204,23 4.259,24 5.883,25 4.209,26 4.951,27 5.157,28 4.183,29 4.271,30 5.977,31 4.201,32 4.959,33 5.178,34 4.145,35 4.232,36 5.961,37 4.162,38 4.938,39 5.148,40 4.133,41 4.196,42 5.989,43 4.149,44 4.86,45 5.047,46 4.126,47 4.21,48 5.936,49 4.153,50 4.873,51 5.07,52 4.011,53 4.235,54 5.845,55 4.136,56 0.001,57 0.785,58 9.924,59 4.621,60 5.884,61 5.817,62 0.305,63 1.365,64 19.958,65 7.83,66 21.159,67 9.895,68 0.288,69 1.681,70 27.463,71 10.35,72 25.814,73 13.631,74 0.386,75 1.778,76 28.921,77 10.938,78 37.202,79 14.888,80 0.258,81 1.742,82 30.221,83 11.262,84 39.092,85 15.309,86 0.401,87 1.686,88 30.265,89 10.287,90 53.078,91 13.163,92 0.486,93 1.582,94 26.406,95 9.72,96 47.255,97 12.61,98 0.149,99 1.555,100 26.329,101 11.314,102 27.788,103 14.995,104 2,105 52,106 0.245,107 0.559,108 0.694,109 0.793,110 0.85,111 0.868,112 3.473,113 0.883,114 -5.26,115 -5.15,116 -4.82,119 47.2,125 5,135 1,139 1,142 11,143 3,144 2,158 1,159 1,172 14,174 5,175 7,183 16,186 1,187 6,195 13,198 5,199 11,207 8,211 1,212 12,220 8,224 12,232 10,236 3,237 12,245 13,250 8,258 13,263 9,271 8,275 1599,276 21.775,277 21.775,278 21.775,279 21.775,280 21.775,281 19.315,282 25.458,283 12.895,284 22.256,285 17.846,286 17.846,287 17.846,288 17.846,289 17.846,290 14.048,291 36.753,292 6.146,293 18.641,294 4.23,295 2.307,296 1.48,297 0.875,298 0.528,299 0.415,300 4.201,304 1,305 1,306 706,307 2.55,310 46.713,311 324.802,314 178.778,315 108.51,318 1.355,319 22.501,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66,331 310,332 4.653,333 3.886,334 7.151,335 4.345,336 3.41,337 4.432,338 1.443,339 12.537,340 3.193,341 4.486,342 3.317,343 6.513,344 4.024,345 3.028,346 4.12,347 1.074,348 10.229,349 3.016,350 4.106,351 3.13,352 6.19,353 3.762,354 2.829,355 3.515,356 0.88,357 9.216,358 2.648,359 3.641,360 3.067,361 5.971,362 3.39,363 2.429,364 2.948,365 0.86,366 8.2,367 2.321,368 3.599,369 2.532,370 5.69,371 3.209,372 2.246,373 2.782,374 0.68,375 7.327,376 2.165,377 3.436,378 2.379,379 5.182,380 2.982,381 2.002,382 2.707,383 0.249,384 6.127,385 1.95,386 3.118,387 2.253,388 4.759,389 2.699,390 1.779,391 2.427,392 0.136,393 4.825,394 1.636,395 3.003,396 2.033,397 4.449,398 2.618,399 1.618,400 2.083,402 4.278,403 1.618,404 2.953,405 1.63,406 4.169,407 2.537,408 1.557,409 2.063,411 3.78,412 1.509,413 2.78,414 1.618,415 3.769,416 2.337,417 1.366,418 1.902,420 3.003,421 1.322,422 2.767,423 1.379,424 3.627,425 2.272,426 1.273,427 1.817,428 2.851,429 1.272,430 2.425,431 1.283,432 3.583,433 2.009,434 1.081,435 1.389,436 2.625,437 1.004,438 2.224,439 1.256,440 3.52,441 1.952,442 1,443 1.17,445 2.479,446 0.946,447 2.141,448 1.119,449 3.317,450 1.949,451 1,452 1.009,454 2.136,455 0.936,456 2,457 0.891,458 3.247,459 1.73,460 0.748,461 1,463 1.85,464 0.733,465 14.767,466 0.476,467 0.637,468 0.021,469 43,470 1.387,471 21.5,472 0.694,473 21.5,474 0.694,475 24.645,476 0.795,477 31.433,478 0.593,479 33.358,480 1.076,481 8.6,482 0.277,483 6.693,484 0.216,485 0.023,487 0.352,493 0.776,494 1.364,495 0.707,496 1.052,497 0.565,498 0.899,499 1.053,500 0.97,501 0.902,502 0.875,503 0.674,504 0.868,505 1.076,506 1.105,507 0.94,508 0.921,509 0.887,510 0.908,511 0.729,512 1.051,513 0.986,514 1.021,515 0.831,516 1.026,517 0.912,518 1.124,519 0.927,520 1.012,521 1.038,522 0.97,523 1.613,524 0.933,525 1.064,526 0.806,527 2.021,528 0.841,529 1.132,530 0.914,531 1.065,532 0.874,533 1.384,534 0.936,535 0.792,536 1.041,537 1.078,538 1.165,539 0.828,540 1.16,541 4,542 0.054,543 3.333,544 2.611,545 1.653,546 1.192,547 0.795,548 0.498,549 0.306,550 0.168,551 12710,552 30098,553 2.258,554 41.5,556 22,564 1.745,565 2.188,566 3.289,567 -0.799,573 79.376,574 1.498,575 3.421,576 4.248,577 4.853,578 5.2,579 5.313,580 2.693,581 4.567,582 4.926,583 3.423,584 1591.49,585 8.651,586 21532,588 1,591 303.58,592 1.123,593 4.916,594 0.111,595 0.003,596 0.064,597 0.047,598 0.031,599 0.023,600 0.016,601 0.01,602 0.007,603 0.005,604 0.316,605 0.5,606 0.88,607 0.32,608 156.834,609 -0.001,610 -0.267,611 0.088,612 -0.099,613 -0.02,614 -0.015,615 0.052,616 0.136,617 -0.008,618 0.051,619 -0.003,620 0.012,621 -0.075,622 -0.055,623 0.001,624 0.029,625 -0.046,626 0.024,627 0.138,628 0.009,629 -0.044,630 -0.077,631 0.092,632 -0.085,633 0.012,634 -0.105,635 0.047,636 -0.053,637 0.013,638 -0.005,639 -0.264,640 0.108,641 -0.057,642 0.13,643 -0.232,644 0.081,645 0.015,646 0.141,647 -0.117,648 0.07,649 -0.022,650 -0.018,651 -0.06,652 -0.071,653 -0.16,654 -0.162,655 -0.016,656 -0.169,657 1.723,658 6.186,659 0.935,660 26.922,661 1,662 1.116,663 4.033,664 16.261,665 0.694,666 3.611,667 3.97,668 4.344,669 4.71,670 5.024,671 5.176,672 5.429,673 5.652,674 5.802,675 5.914,676 6.043,677 0.665,678 410.51,679 3.611,680 5.176,681 6.071,682 6.984,683 7.898,684 8.822,685 9.746,686 10.677,687 11.606,688 12.54,689 7.5,692 1,695 1,696 1,698 1,703 2,704 11,709 3,711 17,726 1,731 53,733 20,734 3,735 36,737 58,738 25,739 16,740 5,741 11,742 4,746 6,747 10,750 1,761 20,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 22,782 6,784 6,790 4,794 0.5,795 2,811 1,812 5,815 2,816 1,827 1,831 1,836 1,839 1,840 3,848 31,854 5,856 1,859 3,870 3.8,873 1,874 1,877 14.167,878 9.633,879 6.667,880 3.276,881 4.166,882 1.477,883 1.061,884 4.516,885 12.891,886 3.882,887 4.489,888 5.125,889 5.751,890 6.33,891 6.634,892 7.095,893 7.545,894 7.941,895 8.19,896 0.857,897 56,898 11.499,900 5.062,901 7.575,902 22.376,904 19.226,905 2.075,906 64.333,909 1,910 258.964,911 151.994,912 26.158,914 36.145,917 151.994,918 295.109,919 26.158,921 18.626,922 113.715,923 40.849,924 39.207,925 1.899,926 258.964,928 258.964,929 178.152,930 36.145,933 258.964,934 25.145,935 11,937 38.536,938 130.14,939 9.476,941 258.964,942 62.303,943 151.994,946 258.964,947 38.279,948 123.088,950 52.93,951 258.964,952 62.303,953 151.994,955 0.582,956 0.356,957 0.214,958 0.123,959 29,960 11,961 0.052,962 3,963 3,964 1.207,965 4.182,966 316.089,967 0.207,968 29,969 145.58,974 18.612,975 7.523,976 3.126,977 2.424,978 62.303,979 22.788,984 3.079,987 473.261,988 47.5,993 13.186,995 1.646,996 4.969,997 1.331,999 53.014,1000 59.149,1001 0.261,1002 0.597,1003 0.742,1004 0.847,1005 0.908,1006 0.928,1007 5.143,1008 1.618,1009 6.057,1010 4.825,1011 4.654,1012 5.176,1013 2.363,1014 6.934,1015 4.572,1016 6.345,1017 1.557,1018 7.645,1019 4.278,1020 4.205,1021 4.913,1022 1.104,1023 7.949,1024 4.071,1025 7.66,1026 1.366,1027 9.341,1028 3.78,1029 6.293,1030 7.371,1031 2.46,1032 11.138,1033 6.122,1034 9.013,1035 1.273,1036 11.103,1037 3.003,1038 6.735,1039 7.986,1040 1.822,1041 13.036,1042 6.502,1043 10.403,1044 1.081,1045 12.908,1046 2.851,1047 8.262,1048 9.89,1049 2.786,1050 15.74,1051 7.993,1052 11.821,1053 1,1054 14.742,1055 2.625,1056 9.121,1057 10.937,1058 2.537,1059 17.998,1060 8.788,1061 13.26,1062 1,1063 16.597,1064 2.479,1065 10.429,1066 12.599,1067 3.27,1068 20.555,1069 10.054,1070 3.41,1071 0.748,1072 18.468,1073 2.136,1074 11.479,1075 13.862,1076 3.269,1077 22.962,1078 11.04,1079 3.028,1080 12.537,1081 20.351,1082 1.85,1083 12.707,1084 15.416,1085 3.856,1086 25.48,1087 12.22,1088 2.829,1089 10.229,1090 22.245,1091 4.432,1092 13.842,1093 16.783,1094 4.008,1095 27.95,1096 13.291,1097 2.429,1098 9.216,1099 24.148,1100 4.12,1101 15.047,1102 18.289,1103 4.507,1104 30.462,1105 14.44,1106 2.246,1107 8.2,1108 26.058,1109 3.515,1110 16.22,1111 19.709,1112 4.747,1113 32.961,1114 15.549,1115 2.002,1116 7.327,1117 27.974,1118 2.948,1119 17.421,1120 21.195,1121 5.193,1122 35.475,1123 16.69,1124 1.779,1125 6.127,1126 29.896,1127 2.782,1128 18.613,1129 22.641,1130 5.486,1131 37.987,1132 17.816,1133 11475,1134 17806,1135 25.255,1136 36.784,1137 55.598,1138 56.399,1139 55.895,1140 54.888,1141 54.876,1142 70.917,1143 10.643,1144 163.308,1145 52.676,1146 5.653,1147 5.886,1148 6.953,1149 5.449,1150 5.41,1151 7.432,1152 2.571,1153 20.033,1154 5.193,1155 6.914,1156 1.544,1157 1.567,1158 1.553,1159 1.525,1160 1.524,1161 1.97,1162 0.296,1163 4.536,1164 1.463,1165 4.118,1166 4.148,1167 4.077,1168 4.062,1169 7.429,1170 4.06,1171 4.006,1172 4.038,1173 3.971,1174 3.897,1175 4.922,1176 3.91,1177 3.803,1178 3.853,1179 3.718,1180 3.631,1181 4.834,1182 3.648,1183 3.585,1184 3.624,1185 3.498,1186 3.424,1187 4.648,1188 3.425,1189 3.494,1190 3.538,1191 3.394,1192 3.383,1193 4.522,1194 3.39,1195 3.28,1196 3.336,1197 3.181,1198 3.14,1199 4.335,1200 3.14,1201 3.111,1202 3.206,1203 2.925,1204 2.941,1205 4.006,1206 2.91,1207 3.014,1208 3.065,1209 2.908,1210 2.892,1211 3.831,1212 2.895,1213 0.129,1214 0.108,1215 0.199,1216 0.121,1217 0.095,1218 4.653,1219 0.123,1220 3.886,1221 0.04,1222 7.151,1223 0.348,1224 4.345,1225 0.089,1226 3.41,1227 4.432,1228 1.443,1229 12.537,1230 3.193,1231 2.081,1232 2.063,1233 2.165,1234 2.136,1235 1.33,1236 2.147,1237 1.874,1238 1.847,1239 1.978,1240 2.015,1241 1.208,1242 1.996,1243 1.777,1244 1.728,1245 1.937,1246 1.953,1247 1.086,1248 1.958,1249 1.569,1250 1.52,1251 1.72,1252 1.803,1253 0.863,1254 1.775,1255 1.493,1256 1.453,1257 1.652,1258 1.619,1259 0.825,1260 1.64,1261 1.262,1262 1.208,1263 1.513,1264 1.441,1265 0.708,1266 1.456,1267 1.153,1268 1.064,1269 1.479,1270 1.376,1271 0.602,1272 1.429,1273 0.977,1274 0.927,1275 1.19,1276 1.162,1277 0.287,1278 1.161,1279 4.29,1281 5.638,1282 2.398,1283 7.204,1284 4.949,1285 8.869,1286 7.248,1287 10.584,1295 3.426,1297 5.473,1300 6.012,1305 35.256,1306 79.376,1307 181.287,1308 225.162,1309 257.215,1310 275.58,1311 281.58,1312 39.259,1313 8.725,1314 51.77,1315 51.77,1316 35,1317 13.041,1318 4.392,1319 3.644,1320 39.198,1321 109,1322 120,1323 0.172,1324 209.187,1325 366.74,1326 502.176,1327 81985,1329 20.786,1330 0.671,1331 0.551,1332 20.786,1333 17.069,1334 15.293,1335 0.425,1336 0.294,1337 10.454,1338 14.751,1339 10.278,1340 8.411,1341 15.293,1342 10.599,1343 13.759,1344 0.265,1345 0.152,1346 13.759,1347 7.901,1348 12.485,1349 0.164,1350 0.08,1351 12.485,1352 6.086,1353 11.428,1354 0.104,1355 0.042,1356 11.428,1357 4.566,1358 10.01,1359 0.066,1360 0.022,1361 10.01,1362 3.292,1363 0.26,1364 95.355,1365 0.199,1366 28.353,1367 0.502,1368 176,1369 466.052,1370 191.611,1371 451.159,1372 640.29,1373 428,1374 216,1375 490.653,1376 233.446,1377 495.336,1378 742.36,1379 470,1380 5.398}
{0 CHEMBL1957863,1 1.746,2 10.125,3 5.052,4 25.52,5 115.2,6 8.349,7 0.333,8 4.109,9 4.217,10 3.769,11 3.616,12 5.247,13 3.636,14 4.702,15 4.863,16 4.241,17 4.026,18 6.225,19 4.041,20 4.893,21 5.073,22 4.278,23 4.2,24 6.032,25 4.188,26 5.016,27 5.213,28 4.32,29 4.24,30 6.268,31 4.217,32 5.079,33 5.313,34 4.24,35 4.189,36 6.291,37 4.167,38 4.966,39 5.171,40 4.181,41 4.143,42 6.193,43 4.128,44 4.876,45 5.057,46 4.18,47 4.161,48 6.07,49 4.132,50 4.939,51 5.135,52 4.207,53 4.168,54 6.233,55 4.119,56 0.161,57 1.017,58 8.652,59 4.822,60 22.83,61 5.481,62 1.071,63 1.99,64 20.842,65 8.144,66 139.459,67 9.425,68 0.642,69 1.929,70 25.096,71 9.979,72 51.452,73 12.344,74 0.83,75 2.231,76 29.53,77 11.517,78 68.983,79 14.037,80 1.154,81 2.21,82 37.227,83 12.103,84 139.455,85 14.622,86 1.199,87 1.902,88 31.431,89 9.979,90 128.188,91 11.669,92 0.79,93 1.833,94 24.895,95 9.755,96 69.509,97 11.777,98 0.83,99 2.104,100 27.681,101 11.808,102 64.349,103 14.701,104 27,105 54,106 0.289,107 0.613,108 0.761,109 0.816,110 0.843,111 0.849,112 3.503,113 0.862,114 -5.57,115 -5.45,116 -5.08,119 43.4,120 1,125 5,132 1,135 1,139 1,142 7,143 3,144 2,158 1,159 1,172 10,174 5,175 7,183 10,186 1,187 6,195 6,198 5,199 11,207 3,211 1,212 10,220 6,224 11,232 10,236 3,237 8,245 11,250 6,258 8,263 5,271 2,275 1762,276 21.386,277 21.386,278 21.386,279 21.386,280 21.386,281 19.446,282 29.203,283 12.328,284 22.117,285 17.794,286 17.794,287 17.794,288 17.794,289 17.794,290 14.733,291 40.052,292 5.849,293 19.071,294 3.982,295 2.024,296 1.13,297 0.797,298 0.632,299 0.595,300 4.208,304 1,305 1,306 708,307 3.536,310 53.491,311 305.413,314 200.769,318 1.461,319 52.143,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 72.5,331 324,332 4.655,333 4.472,334 7.266,335 4.351,336 3.422,337 4.15,338 3.825,339 12.543,340 3.196,341 4.569,342 3.886,343 7.15,344 4.273,345 3.377,346 4.089,347 1.443,348 12.28,349 3.083,350 4.109,351 3.313,352 6.199,353 3.771,354 2.837,355 3.515,356 1.074,357 9.235,358 2.652,359 3.92,360 3.13,361 6.099,362 3.618,363 2.685,364 3.155,365 0.88,366 8.749,367 2.446,368 3.621,369 3.002,370 5.919,371 3.357,372 2.394,373 2.79,374 0.86,375 7.993,376 2.287,377 3.544,378 2.53,379 5.675,380 3.128,381 2.189,382 2.739,383 0.68,384 7.25,385 2.042,386 3.02,387 2.294,388 4.816,389 2.699,390 1.78,391 2.12,392 0.249,393 4.978,394 1.636,395 2.984,396 2.241,397 4.72,398 2.6,399 1.641,400 2.071,401 0.136,402 4.745,403 1.547,404 2.882,405 1.881,406 4.441,407 2.462,408 1.498,409 2.034,411 4.21,412 1.415,413 2.848,414 1.621,415 3.902,416 2.414,417 1.414,418 1.964,420 3.173,421 1.414,422 2.776,423 1.513,424 3.753,425 2.337,426 1.366,427 1.814,428 2.996,429 1.321,430 2.226,431 1.379,432 3.623,433 1.96,434 1.071,435 1.173,436 2.62,437 0.946,438 2.219,439 1.256,440 3.521,441 1.952,442 1,443 1.123,445 2.316,446 0.944,447 2,448 1.03,449 3.247,450 1.839,451 0.87,452 1,454 2.136,455 0.839,456 1.595,457 0.826,458 3.173,459 1.204,460 0.226,461 0.264,463 0.585,464 0.219,465 14.624,466 0.457,467 1.002,468 0.031,469 39.75,470 1.242,471 17.5,472 0.547,473 22.25,474 0.695,475 29.27,476 0.915,477 35.176,478 0.664,479 35.151,480 1.098,481 8.129,482 0.254,483 7.213,484 0.225,485 0.116,486 0.034,487 0.356,490 3,493 0.609,494 1.142,495 0.626,496 1.145,497 0.549,498 0.961,499 0.586,500 0.714,501 0.72,502 0.828,503 0.376,504 0.824,505 0.711,506 0.953,507 0.823,508 0.991,509 0.546,510 0.956,511 0.783,512 1.073,513 0.953,514 1.133,515 0.774,516 1.109,517 1.124,518 1.002,519 1.021,520 0.882,521 1.142,522 0.887,523 1.165,524 0.719,525 1.151,526 0.756,527 1.241,528 0.882,529 0.749,530 0.834,531 1.008,532 0.982,533 0.725,534 1.052,535 0.618,536 0.933,537 0.897,538 1.246,539 0.715,540 1.216,541 6.5,542 0.211,543 4.222,544 3.486,545 2.009,546 1.456,547 0.958,548 0.744,549 0.566,550 0.354,551 12798,552 41750,553 2.108,554 39.6,555 3,556 18,564 1.753,565 1.949,566 3.309,567 -0.712,573 92.544,574 1.746,575 3.704,576 4.597,577 4.93,578 5.096,579 5.133,580 2.735,581 4.601,582 4.972,583 3.474,584 1723.05,585 8.741,586 23925.3,588 1,591 303.58,592 1.617,593 4.916,594 0.181,595 0.008,596 0.078,597 0.06,598 0.035,599 0.027,600 0.019,601 0.015,602 0.012,603 0.01,604 0.444,605 0.5,606 0.75,607 0.731,608 163.916,609 -0.035,610 -0.194,611 0.055,612 -0.12,613 -0.066,614 -0.032,615 0.293,616 0.288,617 0.13,618 0.134,619 0.369,620 0.081,621 -0.058,622 -0.131,623 0.011,624 -0.031,625 0.003,626 0.003,627 -0.01,628 -0.138,629 -0.065,630 -0.173,631 0.006,632 -0.15,633 -0.148,634 -0.013,635 -0.011,636 0.077,637 -0.124,638 0.095,639 -0.185,640 0.206,641 -0.199,642 0.176,643 -0.202,644 0.043,645 -0.045,646 -0.012,647 -0.164,648 -0.031,649 -0.042,650 -0.107,651 0.166,652 -0.004,653 0.005,654 -0.228,655 0.082,656 -0.202,657 5.681,658 6.077,659 0.781,660 28.504,661 1.027,662 1.143,663 4.344,664 18.867,665 0.667,666 3.611,667 4.007,668 4.331,669 4.673,670 4.956,671 5.112,672 5.371,673 5.58,674 5.707,675 5.844,676 6.24,677 0.659,678 442.48,679 3.611,680 5.198,681 6.084,682 7.009,683 7.918,684 8.849,685 9.768,686 10.703,687 11.629,688 12.566,689 7.5,692 1,695 1,696 1,698 1,704 7,709 5,711 12,726 1,731 53,733 15,734 2,735 36,737 57,738 23,739 12,740 5,741 7,742 4,746 5,747 8,750 1,752 2,757 1,761 16,762 7,766 3,771 1,773 1,774 1,775 3,779 3,781 21,782 9,784 9,790 4,794 0.6,795 2,811 1,812 4,815 2,827 1,831 1,836 1,839 1,840 3,844 1,846 3,848 32,854 5,856 1,859 3,860 1,869 3,870 3.8,873 1,874 1,877 16.417,878 9.979,879 6.75,880 3.196,881 3.017,882 1.358,883 1.021,884 5.229,885 11.443,886 3.829,887 4.419,888 4.987,889 5.56,890 6.087,891 6.366,892 6.807,893 7.219,894 7.556,895 7.916,896 0.857,897 58,898 12.375,900 5.907,901 8.112,902 22.209,904 18.82,905 2.612,906 83.583,909 1,910 247.193,911 131.898,912 26.158,914 36.145,915 44.88,917 131.898,918 283.338,919 71.039,920 8.825,921 18.626,922 75.81,923 40.849,924 85.313,925 1.899,926 247.193,927 7.76,928 247.193,929 158.057,930 81.025,933 247.193,934 70.025,935 11,937 55.121,938 93.46,939 9.476,941 292.073,942 62.303,943 131.898,946 254.953,947 39.504,948 94.008,950 97.811,951 247.193,952 107.184,953 131.898,955 0.598,956 0.354,957 0.201,958 0.111,959 29,960 13,961 0.053,962 3,963 2,964 1.16,965 4.089,966 322.655,967 0.16,968 25,969 151.245,974 21.05,975 7.949,976 3.713,978 107.184,979 11.506,984 1.429,987 486.275,988 45,993 13.077,995 1.505,996 4.768,997 0.715,999 54.436,1000 60.583,1001 0.305,1002 0.647,1003 0.803,1004 0.861,1005 0.89,1006 0.896,1007 5.13,1008 1.641,1009 6.125,1010 4.978,1011 4.691,1012 5.106,1013 3.417,1014 7.041,1015 4.563,1016 6.355,1017 1.498,1018 7.753,1019 4.745,1020 4.511,1021 4.987,1022 3.943,1023 8.257,1024 4.242,1025 7.693,1026 1.414,1027 9.493,1028 4.21,1029 6.418,1030 7.253,1031 5.467,1032 11.37,1033 6.145,1034 9.065,1035 1.366,1036 11.298,1037 3.173,1038 7.048,1039 7.918,1040 6.696,1041 13.387,1042 6.636,1043 10.472,1044 1.071,1045 13.145,1046 2.996,1047 8.489,1048 9.71,1049 8.063,1050 16.081,1051 8.05,1052 11.902,1053 1,1054 15.019,1055 2.62,1056 9.461,1057 10.742,1058 9.389,1059 18.403,1060 8.904,1061 13.352,1062 0.87,1063 16.913,1064 2.316,1065 10.742,1066 12.333,1067 10.735,1068 20.972,1069 10.136,1070 3.422,1071 0.226,1072 18.822,1073 2.136,1074 11.857,1075 13.548,1076 12.074,1077 23.413,1078 11.151,1079 3.377,1080 12.543,1081 20.742,1082 0.585,1083 13.087,1084 15.047,1085 13.417,1086 25.944,1087 12.317,1088 2.837,1089 12.28,1090 22.672,1091 4.15,1092 14.26,1093 16.355,1094 14.758,1095 28.432,1096 13.403,1097 2.685,1098 9.235,1099 24.609,1100 4.089,1101 15.477,1102 17.809,1103 16.1,1104 30.953,1105 14.548,1106 2.394,1107 8.749,1108 26.552,1109 3.515,1110 16.675,1111 19.167,1112 17.441,1113 33.46,1114 15.665,1115 2.189,1116 7.993,1117 28.501,1118 3.155,1119 17.89,1120 20.6,1121 18.783,1122 35.979,1123 16.806,1124 1.78,1125 7.25,1126 30.454,1127 2.79,1128 19.1,1129 21.983,1130 20.124,1131 38.493,1132 17.938,1133 12079,1134 21989,1135 23.868,1136 35.358,1137 56.592,1138 56.298,1139 57.011,1140 55.762,1141 55.539,1142 68.008,1143 18.294,1144 171.618,1145 51.976,1146 5.655,1147 6.472,1148 7.068,1149 5.455,1150 5.422,1151 7.15,1152 5.335,1153 20.271,1154 5.196,1155 16.394,1156 1.572,1157 1.564,1158 1.584,1159 1.549,1160 1.543,1161 1.889,1162 0.508,1163 4.767,1164 1.444,1165 4.073,1166 4.112,1167 4.04,1168 3.96,1169 8.513,1170 3.97,1171 3.935,1172 3.962,1173 3.899,1174 3.854,1175 7.999,1176 3.859,1177 3.803,1178 3.852,1179 3.718,1180 3.631,1181 7.999,1182 3.648,1183 3.584,1184 3.623,1185 3.498,1186 3.394,1187 7.429,1188 3.413,1189 3.39,1190 3.437,1191 3.38,1192 3.165,1193 4.875,1194 3.189,1195 3.209,1196 3.27,1197 3.14,1198 3.039,1199 4.668,1200 3.031,1201 3.153,1202 3.239,1203 2.956,1204 2.941,1205 4.647,1206 2.937,1207 3.111,1208 3.206,1209 2.911,1210 2.911,1211 4.522,1212 2.91,1213 0.129,1214 0.124,1215 0.202,1216 0.121,1217 0.095,1218 4.655,1219 0.115,1220 4.472,1221 0.106,1222 7.266,1223 0.348,1224 4.351,1225 0.089,1226 3.422,1227 4.15,1228 3.825,1229 12.543,1230 3.196,1231 1.956,1232 1.932,1233 2.057,1234 2.048,1235 1.247,1236 2.049,1237 1.869,1238 1.842,1239 1.973,1240 2.014,1241 1.207,1242 1.996,1243 1.773,1244 1.725,1245 1.935,1246 1.943,1247 1.077,1248 1.948,1249 1.552,1250 1.505,1251 1.68,1252 1.794,1253 0.825,1254 1.762,1255 1.28,1256 1.229,1257 1.553,1258 1.519,1259 0.798,1260 1.491,1261 1.209,1262 1.133,1263 1.513,1264 1.418,1265 0.652,1266 1.469,1267 1.153,1268 1.064,1269 1.479,1270 1.376,1271 0.6,1272 1.429,1273 1.015,1274 0.964,1275 1.158,1276 1.355,1277 0.264,1278 1.283,1279 4.29,1281 5.666,1282 2.398,1283 7.244,1284 4.949,1285 8.912,1286 7.248,1287 10.628,1289 1.477,1291 40.335,1295 2.498,1297 5.392,1300 5.313,1301 -4.431,1305 34.933,1306 92.544,1307 196.313,1308 243.664,1309 261.315,1310 270.07,1311 272.07,1312 67.003,1313 8.426,1314 51.77,1315 51.77,1316 29,1317 13.065,1318 4,1319 3.322,1320 45.327,1321 116,1322 127,1323 0.188,1324 206.845,1325 378.89,1326 496.462,1327 54514,1328 5.7,1329 22.457,1330 0.702,1331 0.544,1332 19.957,1333 17.394,1334 15.342,1335 0.426,1336 0.287,1337 10.117,1338 14.505,1339 9.957,1340 8.114,1341 14.131,1342 10.338,1343 14.882,1344 0.276,1345 0.145,1346 12.887,1347 7.85,1348 12.342,1349 0.165,1350 0.079,1351 11.637,1352 5.957,1353 11.073,1354 0.104,1355 0.041,1356 10.089,1357 4.298,1358 9.2,1359 0.065,1360 0.021,1361 8.632,1362 2.962,1363 0.285,1364 97.902,1365 0.205,1366 29.09,1367 0.546,1368 180,1369 708.385,1370 212.628,1371 595.789,1372 794.49,1373 556,1374 219,1375 571.653,1376 246.922,1377 555.328,1378 848.58,1379 523,1380 5.398}
{0 CHEMBL1957864,1 1.941,2 9.385,3 2.664,4 7.098,5 97.113,6 9.689,7 0.207,8 3.868,9 3.966,10 3.653,11 3.393,12 5.026,13 3.41,14 4.434,15 4.587,16 4.079,17 3.806,18 5.592,19 3.81,20 4.667,21 4.838,22 4.317,23 3.968,24 6.019,25 3.933,26 4.665,27 4.862,28 4.092,29 3.895,30 5.886,31 3.846,32 4.597,33 4.792,34 4.015,35 3.781,36 5.852,37 3.763,38 4.541,39 4.712,40 4.045,41 3.743,42 5.883,43 3.747,44 4.449,45 4.613,46 3.914,47 3.713,48 5.724,49 3.659,50 4.367,51 4.583,52 3.752,53 3.562,54 5.54,55 3.473,56 0.17,57 0.688,58 4.591,59 3.388,60 11.847,61 3.672,62 0.55,63 1.106,64 12.995,65 5.834,66 25.899,67 6.248,68 0.914,69 1.332,70 24.721,71 8.09,72 77.275,73 9.257,74 0.791,75 1.29,76 26.733,77 8.307,78 61.368,79 9.798,80 0.839,81 1.322,82 24.962,83 7.838,84 80.191,85 8.55,86 0.959,87 1.145,88 19.507,89 6.276,90 90.97,91 5.694,92 0.762,93 0.955,94 17.926,95 6.393,96 60.952,97 6.789,98 0.55,99 0.815,100 20.622,101 7.165,102 49.709,103 8.859,104 17,105 42,106 0.342,107 0.688,108 0.812,109 0.85,110 0.85,111 0.85,112 3.305,113 0.915,114 -4.91,115 -4.82,116 -4.52,119 41.5,125 5,137 2,138 1,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 1,183 4,186 1,187 1,195 6,198 5,199 4,207 2,211 1,212 4,224 6,236 3,237 6,250 4,263 5,275 968,276 17.552,277 17.552,278 17.552,279 17.552,280 17.552,281 15.978,282 22.542,283 10.13,284 18.297,285 14.252,286 14.252,287 14.252,288 14.252,289 14.252,290 11.812,291 27.569,292 4.772,293 15.628,294 3.417,295 1.453,296 0.75,297 0.537,298 0.537,299 0.537,300 3.999,301 2,304 1,305 1,306 530,307 2.449,310 54.146,311 217.961,314 97.753,318 1.462,319 38.489,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.167,331 244,332 4.578,333 3.907,334 6.887,335 4.219,336 3.289,337 4.018,338 1.443,339 11.445,340 3.055,341 4.323,342 3.448,343 6.399,344 3.885,345 2.968,346 3.968,347 1.074,348 9.728,349 2.701,350 4.017,351 3.226,352 6.302,353 3.69,354 2.782,355 3.245,356 0.88,357 9.32,358 2.513,359 3.614,360 3.153,361 5.818,362 3.357,363 2.418,364 2.736,365 0.86,366 7.738,367 2.248,368 3.293,369 2.526,370 5.135,371 2.891,372 1.983,373 2.53,374 0.68,375 5.852,376 1.745,377 3.093,378 2.493,379 4.93,380 2.768,381 1.851,382 2.109,383 0.249,384 5.235,385 1.666,386 2.868,387 2.113,388 4.511,389 2.372,390 1.466,391 2.03,392 0.136,393 4.231,394 1.308,395 2.846,396 2.014,397 3.879,398 2.35,399 1.414,400 1.799,402 3.18,403 1.276,404 2.497,405 1.746,406 3.85,407 2.177,408 1.294,409 1.451,411 3.022,412 1.136,413 2.277,414 1.726,415 3.518,416 1.952,417 1,418 1.16,420 2.286,421 0.946,422 2,423 1.256,424 3.247,425 1.868,426 0.915,427 1,428 2.136,429 0.858,430 1.641,431 1.149,432 3.172,433 1.178,434 0.375,435 0.403,436 0.914,437 0.255,438 1.482,439 1.073,440 3.025,441 1.157,442 0.241,443 0.282,445 0.569,446 0.202,447 1.2,448 0.395,449 2.674,450 0.709,451 -0.124,452 -0.155,454 -0.303,455 -0.096,456 0.987,457 0.066,458 2.36,459 0.513,460 -0.403,461 -0.508,463 -1,464 -0.344,465 12.481,466 0.48,467 0.699,468 0.027,469 30.25,470 1.163,471 11.5,472 0.442,473 18.75,474 0.721,475 23.336,476 0.898,477 28.319,478 0.691,479 23.475,480 0.903,481 6.301,482 0.242,483 6.258,484 0.241,485 0.164,487 0.377,491 1,493 0.683,494 1.398,495 0.498,496 1.015,497 0.51,498 0.885,499 0.89,500 0.909,501 0.634,502 0.702,503 0.617,504 0.747,505 0.743,506 0.957,507 0.716,508 0.856,509 0.627,510 0.908,511 0.856,512 1.02,513 1.015,514 1.025,515 0.933,516 1.022,517 1.264,518 1.322,519 0.988,520 1.036,521 1.515,522 0.985,523 1.556,524 1.053,525 0.992,526 0.759,527 1.826,528 0.862,529 1.044,530 0.906,531 1.072,532 1.008,533 1.213,534 1.138,535 0.679,536 0.928,537 0.764,538 1.066,539 0.694,540 1.029,541 4.5,542 0.078,543 3.778,544 2.132,545 1.88,546 1.011,547 0.608,548 0.425,549 0.297,550 0.17,551 7534,552 27367,553 2.101,554 36.6,556 13,557 2,564 1.695,565 1.95,566 3.228,567 -0.646,568 1,569 1,573 79.569,574 1.941,575 3.904,576 4.607,577 4.821,578 4.821,579 4.821,580 2.687,581 4.47,582 4.673,583 3.365,584 1093.77,585 8.119,586 13217.5,588 1,590 1,591 219.66,592 1.46,593 4.624,594 0.155,595 0.006,596 0.09,597 0.047,598 0.048,599 0.027,600 0.017,601 0.014,602 0.012,603 0.009,604 0.426,605 0.5,606 1,607 0.596,608 125.093,609 -0.064,610 -0.347,611 0.019,612 -0.16,613 -0.017,614 -0.064,615 -0.082,616 0.093,617 0.021,618 0.151,619 -0.026,620 0.099,621 0.16,622 0.034,623 0.147,624 0.075,625 0.22,626 0.022,627 0.002,628 -0.056,629 -0.078,630 -0.083,631 -0.024,632 -0.055,633 -0.131,634 -0.091,635 -0.092,636 -0.074,637 -0.196,638 -0.035,639 -0.298,640 0.154,641 -0.161,642 0.14,643 -0.292,644 -0.02,645 -0.063,646 0.058,647 -0.179,648 -0.072,649 -0.126,650 -0.225,651 0.129,652 -0.14,653 0.198,654 -0.051,655 0.128,656 0.067,657 2.525,658 6.543,659 0.808,660 21.077,661 1.034,662 1.135,663 3.68,664 13.539,665 0.705,666 3.401,667 3.761,668 4.094,669 4.357,670 4.595,671 4.718,672 4.875,673 5.017,674 5.094,675 5.142,676 5.713,677 0.689,678 397.26,679 3.401,680 4.963,681 5.844,682 6.739,683 7.637,684 8.54,685 9.445,686 10.353,687 11.261,688 12.172,689 9.8,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 29,737 44,738 17,739 6,740 3,741 3,742 4,743 1,746 4,747 5,748 2,750 1,761 12,762 5,765 1,766 4,771 1,773 2,774 1,775 4,778 1,779 1,781 15,782 7,784 9,785 2,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,845 2,846 1,848 26,854 5,856 1,859 3,869 3,870 4.9,873 1,874 1,877 13.333,878 7.479,879 5.639,880 2.424,881 2.194,882 1.289,883 1.002,884 4.925,885 9.782,886 3.611,887 4.167,888 4.716,889 5.203,890 5.649,891 5.888,892 6.177,893 6.487,894 6.763,895 6.997,896 1,897 45,898 9.689,900 4.315,901 7.996,902 17.991,904 14.982,905 2.496,906 64.889,909 1,910 176.567,911 90.265,912 26.158,913 78.297,914 36.145,915 14.96,917 90.265,918 291.009,919 41.119,921 36.721,922 28.429,923 49.97,924 35.549,925 40.401,926 153.024,927 78.297,928 176.567,929 116.423,930 51.105,931 78.297,933 191.527,934 25.145,935 11,937 41.66,938 65.642,939 87.418,941 191.527,942 62.303,943 168.562,946 176.567,947 43.741,948 55.897,950 146.188,951 176.567,952 77.263,953 168.562,955 0.592,956 0.364,957 0.192,958 0.102,959 22,960 10,961 0.068,962 3,963 1,964 1.095,965 3.699,966 231.017,967 0.095,968 21,969 118.211,974 17.798,975 7.195,976 3.26,978 77.263,979 5.346,984 1.674,987 422.392,988 36,993 12.408,995 3.165,996 4.413,997 -1.195,999 42.407,1000 46.546,1001 0.362,1002 0.729,1003 0.86,1004 0.9,1005 0.9,1006 0.9,1007 4.894,1008 1.414,1009 5.849,1010 4.231,1011 4.443,1012 4.852,1013 2.363,1014 6.713,1015 4.264,1016 6.096,1017 1.294,1018 7.448,1019 3.18,1020 4.111,1021 4.677,1022 1.104,1023 7.711,1024 3.803,1025 7.416,1026 1,1027 9.15,1028 3.022,1029 6.089,1030 6.965,1031 2.46,1032 10.856,1033 5.755,1034 8.771,1035 0.915,1036 10.911,1037 2.286,1038 6.594,1039 7.619,1040 1.822,1041 12.664,1042 6.133,1043 10.161,1044 0.375,1045 12.708,1046 2.136,1047 8.048,1048 9.394,1049 2.786,1050 15.332,1051 7.554,1052 11.575,1053 0.241,1054 14.529,1055 0.914,1056 8.918,1057 10.419,1058 2.537,1059 17.467,1060 8.312,1061 13.007,1062 -0.124,1063 16.368,1064 0.569,1065 10.179,1066 11.986,1067 3.27,1068 19.971,1069 9.525,1070 3.289,1071 -0.403,1072 18.219,1073 -0.303,1074 11.209,1075 13.188,1076 3.269,1077 22.253,1078 10.46,1079 2.968,1080 11.445,1081 20.079,1082 -1,1083 12.4,1084 14.663,1085 3.856,1086 24.697,1087 11.592,1088 2.782,1089 9.728,1090 21.948,1091 4.018,1092 13.503,1093 15.952,1094 4.008,1095 27.049,1096 12.61,1097 2.418,1098 9.32,1099 23.822,1100 3.968,1101 14.671,1102 17.381,1103 4.507,1104 29.474,1105 13.713,1106 1.983,1107 7.738,1108 25.702,1109 3.245,1110 15.808,1111 18.715,1112 4.747,1113 31.861,1114 14.771,1115 1.851,1116 5.852,1117 27.586,1118 2.736,1119 16.972,1120 20.122,1121 5.193,1122 34.282,1123 15.867,1124 1.466,1125 5.235,1126 29.473,1127 2.53,1128 18.125,1129 21.479,1130 5.486,1131 36.688,1132 16.947,1133 7187,1134 13826,1135 19.304,1136 28.915,1137 44.781,1138 46.81,1139 46.035,1140 44.238,1141 43.991,1142 53.46,1143 10.643,1144 131.312,1145 39.816,1146 5.578,1147 5.907,1148 6.689,1149 5.322,1150 5.289,1151 7.018,1152 2.571,1153 19.143,1154 5.055,1155 12.686,1156 1.544,1157 1.614,1158 1.587,1159 1.525,1160 1.517,1161 1.843,1162 0.367,1163 4.528,1164 1.373,1165 4.006,1166 4.05,1167 4.129,1168 3.9,1169 8.203,1170 3.898,1171 3.88,1172 3.905,1173 3.937,1174 3.734,1175 7.423,1176 3.765,1177 3.723,1178 3.779,1179 3.63,1180 3.507,1181 5.038,1182 3.526,1183 3.41,1184 3.445,1185 3.437,1186 3.226,1187 4.777,1188 3.248,1189 3.111,1190 3.206,1191 3.352,1192 2.972,1193 4.604,1194 2.96,1195 3.103,1196 3.164,1197 3.244,1198 2.941,1199 4.486,1200 2.91,1201 2.908,1202 2.936,1203 2.952,1204 2.837,1205 4.278,1206 2.806,1207 2.899,1208 2.917,1209 2.866,1210 2.61,1211 4.187,1212 2.67,1213 0.158,1214 0.135,1215 0.237,1216 0.145,1217 0.113,1218 4.578,1219 0.139,1220 3.907,1221 0.05,1222 6.887,1223 0.395,1224 4.219,1225 0.105,1226 3.289,1227 4.018,1228 1.443,1229 11.445,1230 3.055,1231 1.901,1232 1.883,1233 1.973,1234 2.016,1235 1.207,1236 1.997,1237 1.773,1238 1.728,1239 1.93,1240 1.963,1241 1.162,1242 1.97,1243 1.551,1244 1.509,1245 1.652,1246 1.8,1247 0.825,1248 1.759,1249 1.451,1250 1.392,1251 1.611,1252 1.645,1253 0.749,1254 1.644,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.711,1260 1.429,1261 1.103,1262 1.051,1263 1.329,1264 1.3,1265 0.451,1266 1.308,1267 0.847,1268 0.827,1269 1.052,1270 1.084,1271 0.209,1272 1.072,1273 0.785,1274 0.735,1275 0.959,1276 0.998,1277 0.083,1278 0.989,1279 4.078,1281 5.425,1282 2.398,1283 6.978,1284 4.727,1285 8.624,1286 6.843,1287 10.318,1290 12.319,1291 14.543,1295 2.274,1297 5.283,1300 4.657,1305 28.241,1306 79.569,1307 160.076,1308 188.905,1309 197.66,1310 197.66,1311 197.66,1312 51.936,1313 7.588,1314 51.77,1315 51.77,1316 23,1317 12.687,1318 3.459,1319 3,1320 37.867,1321 88,1322 84,1323 0.212,1324 176.809,1325 321.91,1326 423.173,1327 19555,1328 7.3,1329 18.259,1330 0.702,1331 0.584,1332 18.389,1333 15.173,1334 12.559,1335 0.433,1336 0.305,1337 7.974,1338 11.359,1339 7.814,1340 6.338,1341 12.708,1342 8.842,1343 11.444,1344 0.272,1345 0.161,1346 11.739,1347 6.748,1348 10.487,1349 0.178,1350 0.088,1351 10.815,1352 5.218,1353 8.404,1354 0.109,1355 0.044,1356 8.526,1357 3.383,1358 6.713,1359 0.068,1360 0.023,1361 6.798,1362 2.218,1363 0.324,1364 86.241,1365 0.228,1366 24.644,1367 0.607,1368 142,1369 528.569,1370 191.815,1371 533.23,1372 696.72,1373 496,1374 172,1375 458.008,1376 223.018,1377 471.654,1378 705.64,1379 443,1380 6.102}
{0 CHEMBL1957865,1 1.806,2 10.214,3 2.854,4 8.146,5 98.391,6 8.349,7 0.194,8 3.989,9 4.101,10 3.642,11 3.448,12 5.135,13 3.479,14 4.589,15 4.76,16 4.108,17 3.851,18 6.168,19 3.876,20 4.75,21 4.937,22 4.09,23 4.029,24 5.901,25 4.011,26 4.88,27 5.087,28 4.106,29 4.043,30 6.139,31 4.008,32 4.924,33 5.18,34 3.977,35 3.928,36 6.117,37 3.898,38 4.737,39 4.952,40 3.9,41 3.841,42 5.978,43 3.833,44 4.638,45 4.825,46 3.873,47 3.828,48 5.889,49 3.797,50 4.666,51 4.908,52 3.811,53 3.672,54 5.957,55 3.644,56 0.19,57 0.924,58 7.813,59 4.152,60 25.025,61 4.821,62 1.117,63 1.777,64 19.481,65 6.858,66 144.899,67 8.181,68 0.657,69 1.671,70 22.174,71 8.733,72 46.883,73 10.961,74 0.84,75 1.893,76 26.75,77 10.375,78 70.568,79 12.755,80 1.222,81 1.764,82 34.438,83 10.017,84 154.678,85 12.588,86 1.147,87 1.442,88 25.977,89 7.269,90 116.286,91 8.687,92 0.726,93 1.401,94 20.255,95 7.638,96 54.799,97 9.461,98 0.838,99 1.422,100 25.125,101 8.162,102 69.864,103 10.603,104 27,105 46,106 0.31,107 0.646,108 0.805,109 0.83,110 0.837,111 0.837,112 3.375,113 0.863,114 -4.46,115 -4.39,116 -4.14,119 40.4,120 1,125 5,132 1,135 1,137 2,139 1,142 3,143 3,158 1,159 1,172 7,174 5,175 5,183 8,186 1,187 2,195 5,198 5,199 5,207 2,211 1,212 4,220 2,224 6,232 3,236 3,237 7,245 1,250 9,263 4,275 1178,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 17.079,282 25.972,283 10.612,284 19.233,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 13.003,291 33.618,292 5.028,293 16.585,294 3.748,295 1.785,296 0.857,297 0.713,298 0.67,299 0.67,300 4.066,304 1,305 1,306 616,307 3.391,310 59.478,311 243.435,314 108.482,318 1.587,319 47.868,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 286,332 4.582,333 4.472,334 7.265,335 4.288,336 3.394,337 4.121,338 3.825,339 12.291,340 3.106,341 4.454,342 3.811,343 6.725,344 4.127,345 3.2,346 3.813,347 1.744,348 10.95,349 2.962,350 3.968,351 3.214,352 6.12,353 3.691,354 2.772,355 3.179,356 1,357 8.967,358 2.527,359 3.857,360 3.151,361 6.053,362 3.579,363 2.651,364 3.039,365 0.946,366 8.592,367 2.416,368 3.535,369 2.927,370 5.594,371 3.206,372 2.259,373 2.676,374 0.86,375 7.127,376 2.121,377 3.059,378 2.375,379 4.801,380 2.736,381 1.82,382 2.094,383 0.594,384 4.946,385 1.664,386 2.944,387 2.136,388 4.537,389 2.567,390 1.622,391 2.053,392 0.264,393 4.671,394 1.495,395 2.857,396 1.754,397 4.407,398 2.414,399 1.414,400 1.983,401 0.149,402 3.84,403 1.414,404 2.764,405 1.725,406 3.874,407 2.242,408 1.304,409 1.694,411 3.171,412 1.213,413 2.437,414 1.512,415 3.754,416 2.128,417 1.223,418 1.37,420 2.933,421 1.097,422 2.208,423 1.358,424 3.447,425 1.952,426 1,427 1.1,428 2.226,429 0.946,430 2,431 1.256,432 3.247,433 1.829,434 0.892,435 1,436 2.136,437 0.829,438 1.558,439 0.749,440 3.156,441 1.216,442 0.241,443 0.274,445 0.625,446 0.233,447 1.31,448 0.51,449 2.778,450 0.793,451 -0.204,452 -0.274,454 -0.516,455 -0.2,456 0.907,457 0.51,458 2.693,459 0.571,460 -0.413,461 -0.536,463 -1.094,464 -0.403,465 12.624,466 0.451,467 0.916,468 0.033,469 31.25,470 1.116,471 11.5,472 0.411,473 19.75,474 0.705,475 25.451,476 0.909,477 31.776,478 0.676,479 27.241,480 0.973,481 6.649,482 0.237,483 6.693,484 0.239,485 0.134,486 0.04,487 0.333,490 3,493 0.624,494 1.217,495 0.626,496 1.243,497 0.555,498 1.019,499 0.592,500 0.691,501 0.729,502 0.794,503 0.361,504 0.808,505 0.682,506 0.927,507 0.85,508 1.046,509 0.504,510 1.024,511 0.76,512 1.095,513 0.972,514 1.256,515 0.803,516 1.225,517 1.119,518 1.01,519 1.008,520 0.864,521 1.164,522 0.87,523 1.23,524 0.717,525 1.235,526 0.734,527 1.277,528 0.898,529 0.74,530 0.951,531 1.034,532 1.174,533 0.734,534 1.213,535 0.841,536 1.034,537 0.829,538 1.133,539 0.903,540 1.03,541 6.5,542 0.169,543 4,544 2.444,545 1.747,546 1.09,547 0.652,548 0.506,549 0.375,550 0.259,551 9296,552 32535,553 2.064,554 40.4,555 3,556 14,557 2,564 1.713,565 1.898,566 3.335,567 -0.671,568 1,569 1,573 84.89,574 1.806,575 3.77,576 4.698,577 4.842,578 4.884,579 4.884,580 2.751,581 4.423,582 4.782,583 3.499,584 1322.46,585 8.327,586 17027.8,588 1,590 1,591 261.066,592 1.656,593 4.716,594 0.21,595 0.008,596 0.087,597 0.052,598 0.04,599 0.028,600 0.018,601 0.014,602 0.012,603 0.011,604 0.48,605 0.5,606 1,607 0.787,608 139.052,609 -0.044,610 -0.244,611 0.053,612 -0.169,613 -0.065,614 -0.058,615 0.289,616 0.31,617 0.13,618 0.178,619 0.39,620 0.107,621 -0.052,622 -0.101,623 -0.028,624 -0.048,625 0.023,626 -0.032,627 0.001,628 -0.172,629 -0.08,630 -0.258,631 -0.013,632 -0.227,633 -0.138,634 -0.048,635 0.036,636 0.094,637 -0.137,638 0.136,639 -0.221,640 0.239,641 -0.271,642 0.187,643 -0.23,644 0.016,645 -0.012,646 -0.13,647 -0.175,648 -0.198,649 -0.014,650 -0.242,651 0.074,652 -0.131,653 0.188,654 -0.151,655 0.034,657 5.65,658 5.392,659 0.75,660 23.719,661 1.033,662 1.153,663 3.231,664 10.438,665 0.651,666 3.466,667 3.85,668 4.127,669 4.407,670 4.615,671 4.71,672 4.905,673 5.037,674 5.124,675 5.231,676 6.203,677 0.647,678 392.42,679 3.466,680 5.043,681 5.911,682 6.819,683 7.704,684 8.614,685 9.507,686 10.417,687 11.315,688 12.225,689 8.5,692 2,696 1,698 1,704 3,709 3,711 6,731 47,733 10,734 1,735 31,737 50,738 19,739 6,740 3,741 3,742 4,746 4,747 5,752 2,757 1,761 12,762 7,766 4,771 1,773 3,774 1,775 3,778 1,779 3,781 19,782 9,784 9,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,844 1,846 3,848 28,854 5,856 1,859 3,860 1,869 3,870 4.3,873 1,874 1,877 14.75,878 8.812,879 5.917,880 2.778,881 2.248,882 1.289,883 0.995,884 4.94,885 10.015,886 3.664,887 4.212,888 4.734,889 5.246,890 5.683,891 5.919,892 6.244,893 6.527,894 6.775,895 7.075,896 0.857,897 47,898 10.843,900 5.153,901 8.223,902 19.246,904 16.029,905 2.723,906 76.25,909 1,910 223.651,911 106.575,912 26.158,914 36.145,915 44.88,917 106.575,918 259.796,919 71.039,920 8.825,921 36.721,922 37.905,923 38.473,924 79.799,925 27.818,926 200.109,927 7.76,928 223.651,929 132.733,930 81.025,933 223.651,934 70.025,935 11,937 58.245,938 65.012,939 9.476,941 268.531,942 62.303,943 106.575,946 231.41,947 33.99,948 74.198,950 97.811,951 223.651,952 107.184,953 106.575,955 0.6,956 0.349,957 0.187,958 0.098,959 24,960 11,961 0.06,962 3,963 1,964 1.095,965 3.838,966 253.819,967 0.095,968 21,969 125.851,974 19.037,975 7.266,976 3.701,978 107.184,979 4.157,984 0.089,987 437.409,988 38,993 12.392,995 5.049,996 4.125,997 0.714,999 48.552,1000 54.168,1001 0.325,1002 0.679,1003 0.846,1004 0.872,1005 0.879,1006 0.879,1007 4.966,1008 1.414,1009 5.953,1010 4.671,1011 4.533,1012 4.898,1013 3.455,1014 6.843,1015 4.385,1016 6.185,1017 1.304,1018 7.571,1019 3.84,1020 4.369,1021 4.783,1022 3.971,1023 8.042,1024 4.07,1025 7.516,1026 1.223,1027 9.3,1028 3.171,1029 6.248,1030 6.997,1031 5.491,1032 11.104,1033 5.939,1034 8.88,1035 1,1036 11.093,1037 2.933,1038 6.878,1039 7.666,1040 6.705,1041 13.086,1042 6.423,1043 10.278,1044 0.892,1045 12.928,1046 2.226,1047 8.297,1048 9.412,1049 8.069,1050 15.737,1051 7.809,1052 11.699,1053 0.241,1054 14.791,1055 2.136,1056 9.254,1057 10.441,1058 9.392,1059 18.013,1060 8.642,1061 13.137,1062 -0.204,1063 16.673,1064 0.625,1065 10.515,1066 11.996,1067 10.736,1068 20.542,1069 9.847,1070 3.394,1071 -0.413,1072 18.57,1073 -0.516,1074 11.608,1075 13.203,1076 12.075,1077 22.937,1078 10.834,1079 3.2,1080 12.291,1081 20.479,1082 -1.094,1083 12.818,1084 14.672,1085 13.417,1086 25.431,1087 11.973,1088 2.772,1089 10.95,1090 22.397,1091 4.121,1092 13.968,1093 15.969,1094 14.758,1095 27.878,1096 13.028,1097 2.651,1098 8.967,1099 24.323,1100 3.813,1101 15.164,1102 17.4,1103 16.1,1104 30.364,1105 14.145,1106 2.259,1107 8.592,1108 26.256,1109 3.179,1110 16.341,1111 18.744,1112 17.441,1113 32.835,1114 15.231,1115 1.82,1116 7.127,1117 28.194,1118 3.039,1119 17.536,1120 20.158,1121 18.783,1122 35.323,1123 16.344,1124 1.622,1125 4.946,1126 30.137,1127 2.676,1128 18.725,1129 21.528,1130 20.124,1131 37.806,1132 17.445,1133 8921,1134 16848,1135 20.285,1136 30.597,1137 48.747,1138 47.832,1139 48.799,1140 47.797,1141 47.581,1142 56.792,1143 18.766,1144 144.95,1145 44.046,1146 5.582,1147 6.472,1148 7.067,1149 5.391,1150 5.394,1151 7.121,1152 5.335,1153 20.012,1154 5.106,1155 15.109,1156 1.572,1157 1.543,1158 1.574,1159 1.542,1160 1.535,1161 1.832,1162 0.605,1163 4.676,1164 1.421,1165 4.026,1166 4.067,1167 3.985,1168 3.927,1169 8.513,1170 3.931,1171 3.907,1172 3.944,1173 3.872,1174 3.747,1175 7.999,1176 3.775,1177 3.729,1178 3.787,1179 3.625,1180 3.51,1181 7.999,1182 3.529,1183 3.397,1184 3.444,1185 3.381,1186 3.166,1187 7.432,1188 3.194,1189 3.286,1190 3.335,1191 3.244,1192 3.055,1193 4.786,1194 3.082,1195 3.171,1196 3.256,1197 3.002,1198 3.028,1199 4.667,1200 3.007,1201 3.111,1202 3.206,1203 2.953,1204 2.941,1205 4.585,1206 2.91,1207 3.063,1208 3.12,1209 2.866,1210 2.797,1211 4.32,1212 2.84,1213 0.148,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.582,1219 0.133,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.288,1225 0.1,1226 3.394,1227 4.121,1228 3.825,1229 12.291,1230 3.106,1231 1.952,1232 1.929,1233 2.054,1234 2.045,1235 1.245,1236 2.046,1237 1.775,1238 1.725,1239 1.935,1240 2.001,1241 1.203,1242 1.982,1243 1.564,1244 1.516,1245 1.695,1246 1.802,1247 0.85,1248 1.771,1249 1.471,1250 1.415,1251 1.64,1252 1.677,1253 0.825,1254 1.666,1255 1.21,1256 1.133,1257 1.552,1258 1.437,1259 0.724,1260 1.469,1261 1.153,1262 1.104,1263 1.513,1264 1.418,1265 0.603,1266 1.429,1267 1.148,1268 1.064,1269 1.346,1270 1.376,1271 0.481,1272 1.366,1273 0.933,1274 0.861,1275 1.113,1276 1.247,1277 0.236,1278 1.229,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.843,1287 10.4,1289 1.469,1291 39.588,1295 2.612,1297 5.329,1300 5.125,1301 -4.4,1305 30.406,1306 84.89,1307 177.186,1308 220.801,1309 227.556,1310 229.556,1311 229.556,1312 59.461,1313 7.767,1314 51.77,1315 51.77,1316 23,1317 12.743,1318 3.459,1319 3,1320 42.326,1321 104,1322 101,1323 0.2,1324 181.724,1325 338.23,1326 435.166,1327 25072,1328 6.4,1329 19.889,1330 0.71,1331 0.544,1332 17.389,1333 15.239,1334 13.342,1335 0.43,1336 0.288,1337 8.69,1338 12.488,1339 8.559,1340 6.974,1341 12.131,1342 8.913,1343 13.03,1344 0.283,1345 0.146,1346 11.035,1347 6.738,1348 10.509,1349 0.172,1350 0.083,1351 9.804,1352 5.038,1353 9.037,1354 0.112,1355 0.043,1356 8.053,1357 3.486,1358 7.015,1359 0.07,1360 0.023,1361 6.447,1362 2.256,1363 0.31,1364 85.977,1365 0.222,1366 26.366,1367 0.563,1368 154,1369 658.385,1370 186.018,1371 543.944,1372 713.61,1373 506,1374 184,1375 502.949,1376 210.59,1377 485.423,1378 738.43,1379 455,1380 5.398}
{0 CHEMBL1957866,1 1.775,2 9.462,3 3.132,4 9.809,5 101.404,6 8.939,7 0.207,8 3.917,9 4.023,10 3.644,11 3.452,12 4.999,13 3.447,14 4.488,15 4.652,16 4.07,17 3.867,18 5.567,19 3.847,20 4.731,21 4.912,22 4.255,23 4.036,24 5.823,25 3.973,26 4.752,27 4.971,28 4.034,29 3.986,30 5.823,31 3.891,32 4.662,33 4.883,34 3.937,35 3.889,36 5.666,37 3.802,38 4.623,39 4.827,40 4.016,41 3.842,42 5.748,43 3.8,44 4.528,45 4.705,46 3.956,47 3.803,48 5.719,49 3.729,50 4.48,51 4.703,52 3.768,53 3.667,54 5.597,55 3.568,56 0.081,57 0.662,58 6.657,59 3.696,60 6.703,61 4.51,62 0.419,63 1.086,64 16.386,65 6.401,66 21.118,67 7.801,68 0.596,69 1.258,70 29.123,71 8.858,72 42.38,73 10.647,74 0.672,75 1.267,76 31.259,77 9.148,78 51.743,79 11.962,80 0.47,81 1.155,82 28.24,83 8.786,84 40.361,85 11.611,86 0.618,87 1.102,88 24.627,89 7.046,90 53.755,91 8.495,92 0.586,93 0.98,94 21.748,95 7.204,96 45.726,97 8.928,98 0.513,99 0.866,100 23.832,101 7.448,102 52.665,103 9.333,104 17,105 42,106 0.308,107 0.667,108 0.848,109 0.898,110 0.898,111 0.898,112 3.305,113 0.948,114 -5.02,115 -4.92,116 -4.61,119 40.9,120 1,125 4,127 1,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 6,183 4,186 1,187 2,195 6,198 5,199 5,207 2,211 1,212 6,220 1,224 6,232 1,236 3,237 9,245 1,250 4,258 2,263 5,271 3,275 990,276 17.447,277 17.447,278 17.447,279 17.447,280 17.447,281 15.964,282 24.196,283 10.044,284 18.147,285 14.288,286 14.288,287 14.288,288 14.288,289 14.288,290 11.939,291 31.116,292 4.762,293 15.576,294 3.684,295 1.62,296 0.58,297 0.29,298 0.29,299 0.29,300 4,301 2,304 1,305 1,306 534,307 2.449,310 54.199,311 219.742,314 97.829,318 1.538,319 27.2,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.667,331 246,332 4.468,333 3.796,334 6.728,335 4.135,336 3.209,337 3.988,338 1.443,339 10.961,340 2.972,341 4.31,342 3.438,343 6.343,344 3.864,345 2.949,346 3.808,347 1.074,348 9.459,349 2.677,350 3.929,351 3.194,352 6.126,353 3.696,354 2.782,355 3.09,356 0.88,357 9.004,358 2.534,359 3.577,360 3.134,361 5.623,362 3.289,363 2.343,364 2.718,365 0.86,366 7.257,367 2.197,368 3.322,369 2.664,370 5.05,371 3.103,372 2.182,373 2.508,374 0.68,375 6.072,376 1.999,377 3.275,378 2.501,379 5.02,380 2.832,381 1.906,382 2.355,383 0.249,384 5.591,385 1.686,386 2.88,387 2.04,388 4.425,389 2.407,390 1.473,391 2.029,392 0.136,393 4.059,394 1.372,395 2.866,396 1.831,397 4.336,398 2.36,399 1.414,400 1.836,402 3.916,403 1.286,404 2.543,405 1.738,406 3.869,407 2.252,408 1.318,409 1.502,411 3.179,412 1.214,413 2.412,414 1.566,415 3.674,416 2.081,417 1.158,418 1.297,420 2.627,421 1.058,422 2.128,423 1.33,424 3.465,425 1.842,426 0.9,427 1.077,428 2.276,429 0.839,430 1.584,431 1.149,432 3.063,433 1.163,434 0.36,435 0.395,436 0.863,437 0.235,438 1.395,439 0.554,440 2.717,441 0.763,442 -0.119,443 -0.152,445 -0.29,446 -0.094,447 1.049,448 0.149,449 2.574,450 0.605,451 -0.334,452 -0.396,454 -0.835,455 -0.301,456 0.73,457 -0.058,458 2.36,459 0.528,460 -0.398,461 -0.475,463 -0.896,464 -0.369,465 12.695,466 0.488,467 0.733,468 0.028,469 30,470 1.154,471 11.5,472 0.442,473 18.5,474 0.712,475 24.157,476 0.929,477 28.105,478 0.639,479 22.165,480 0.852,481 6.041,482 0.232,483 6.484,484 0.249,485 0.178,487 0.37,493 0.729,494 1.628,495 0.53,496 1.035,497 0.553,498 0.917,499 0.948,500 0.977,501 0.633,502 0.737,503 0.605,504 0.772,505 1.146,506 1.172,507 0.789,508 0.865,509 0.89,510 0.922,511 0.83,512 0.913,513 1.01,514 0.97,515 0.945,516 1.013,517 0.774,518 1.178,519 0.859,520 1.048,521 0.858,522 0.998,523 1.376,524 0.888,525 0.848,526 0.715,527 1.661,528 0.788,529 0.94,530 1.088,531 0.958,532 1.071,533 1.261,534 1.103,535 1.02,536 0.837,537 0.832,538 0.906,539 1.268,540 0.935,541 5.5,542 0.099,543 3.556,544 1.882,545 1.72,546 0.847,547 0.59,548 0.471,549 0.263,550 0.14,551 7706,552 24423,553 2.101,554 40.9,556 13,557 2,561 3,564 1.694,565 1.95,566 3.257,567 -0.684,568 1,569 1,573 78.098,574 1.775,575 3.839,576 4.88,577 5.17,578 5.17,579 5.17,580 2.701,581 4.624,582 4.674,583 3.407,584 1107.14,585 8.113,586 13508.5,588 1,590 1,591 240.215,592 1.46,593 4.624,594 0.19,595 0.007,596 0.085,597 0.044,598 0.046,599 0.024,600 0.016,601 0.015,602 0.011,603 0.008,604 0.445,605 0.5,606 1,607 0.596,608 125.68,609 -0.046,610 -0.421,611 0.027,612 -0.153,613 -0.035,614 -0.057,615 -0.014,616 0.176,617 0.048,618 0.133,619 0.035,620 0.092,621 -0.116,622 -0.135,623 0.076,624 0.069,625 -0.012,626 0.001,627 0.04,628 0.12,629 -0.086,630 -0.033,631 0.001,632 -0.056,633 0.032,634 -0.191,635 0.011,636 -0.094,637 -0.013,638 -0.008,639 -0.242,640 0.173,641 -0.012,642 0.175,643 -0.228,644 0.104,645 0.108,646 -0.062,647 -0.067,648 -0.128,649 0.032,650 -0.176,651 0.002,652 0.087,653 0.086,654 0.071,655 0.056,656 0.064,657 1.778,658 5.515,659 0.808,660 21.385,661 1.018,662 1.128,663 3.793,664 14.385,665 0.699,666 3.401,667 3.761,668 4.06,669 4.331,670 4.564,671 4.673,672 4.836,673 4.99,674 5.088,675 5.136,676 5.86,677 0.668,678 393.3,679 3.401,680 4.963,681 5.832,682 6.725,683 7.61,684 8.508,685 9.401,686 10.301,687 11.198,688 12.101,689 9.1,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 44,733 10,734 1,735 29,737 47,738 18,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,752 1,755 1,758 1,761 12,762 6,766 4,771 1,773 3,774 1,775 3,778 1,781 18,782 6,784 8,785 2,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 1,845 2,848 26,854 4,856 1,858 1,859 3,869 2,870 4.5,873 1,874 1,877 13.333,878 8.252,879 5.583,880 2.652,881 2.186,882 1.287,883 0.992,884 4.969,885 9.811,886 3.611,887 4.151,888 4.67,889 5.164,890 5.606,891 5.834,892 6.117,893 6.442,894 6.735,895 6.945,896 1,897 43,898 9.62,900 4.165,901 7.771,902 18.327,904 15.283,905 2.271,906 59.056,909 1,910 211.88,911 94.853,912 26.158,913 78.297,914 36.145,917 94.853,918 326.322,919 26.158,920 8.825,921 32.129,922 37.905,923 40.849,924 35.549,925 25.441,926 188.338,927 78.297,928 211.88,929 121.011,930 36.145,931 78.297,933 176.567,934 60.458,935 11,937 45.893,938 65.642,939 87.774,941 211.88,942 62.303,943 173.15,946 211.88,947 30.028,948 74.198,950 131.228,951 211.88,952 62.303,953 173.15,955 0.594,956 0.354,957 0.186,958 0.1,959 22,960 10,961 0.064,962 3,963 1,964 1.095,965 3.73,966 228.53,967 0.095,968 21,969 122.211,974 17.86,975 7.234,976 3.522,978 62.303,979 5.521,984 1.896,987 447.333,988 36,993 12.515,995 5.114,996 4.723,997 1.13,999 44.778,1000 49.622,1001 0.325,1002 0.703,1003 0.894,1004 0.947,1005 0.947,1006 0.947,1007 4.894,1008 1.414,1009 5.838,1010 4.059,1011 4.443,1012 4.836,1013 2.363,1014 6.678,1015 4.276,1016 6.09,1017 1.318,1018 7.42,1019 3.916,1020 4.111,1021 4.62,1022 1.104,1023 7.615,1024 3.816,1025 7.397,1026 1.158,1027 9.1,1028 3.179,1029 6.071,1030 6.905,1031 2.46,1032 10.73,1033 5.747,1034 8.734,1035 0.9,1036 10.836,1037 2.627,1038 6.538,1039 7.488,1040 1.822,1041 12.476,1042 6.079,1043 10.104,1044 0.36,1045 12.607,1046 2.276,1047 7.989,1048 9.275,1049 2.786,1050 15.11,1051 7.498,1052 11.495,1053 -0.119,1054 14.402,1055 0.863,1056 8.817,1057 10.24,1058 2.537,1059 17.196,1060 8.204,1061 12.905,1062 -0.334,1063 16.215,1064 -0.29,1065 10.07,1066 11.814,1067 3.27,1068 19.657,1069 9.41,1070 3.209,1071 -0.398,1072 18.041,1073 -0.835,1074 11.064,1075 12.97,1076 3.269,1077 21.896,1078 10.298,1079 2.949,1080 10.961,1081 19.877,1082 -0.896,1083 12.24,1084 14.443,1085 3.856,1086 24.295,1087 11.415,1088 2.782,1089 9.459,1090 21.722,1091 3.988,1092 13.31,1093 15.698,1094 4.008,1095 26.605,1096 12.391,1097 2.343,1098 9.004,1099 23.573,1100 3.808,1101 14.459,1102 17.121,1103 4.507,1104 28.983,1105 13.472,1106 2.182,1107 7.257,1108 25.43,1109 3.09,1110 15.566,1111 18.427,1112 4.747,1113 31.327,1114 14.494,1115 1.906,1116 6.072,1117 27.291,1118 2.718,1119 16.706,1120 19.826,1121 5.193,1122 33.702,1123 15.563,1124 1.473,1125 5.591,1126 29.156,1127 2.508,1128 17.832,1129 21.16,1130 5.486,1131 36.065,1132 16.608,1133 7345,1134 13228,1135 19.304,1136 30.739,1137 45.101,1138 46.375,1139 45.924,1140 44.117,1141 43.99,1142 53.203,1143 10.643,1144 130.529,1145 40.14,1146 5.468,1147 5.796,1148 6.28,1149 5.24,1150 5.209,1151 6.988,1152 2.571,1153 18.15,1154 4.972,1155 12.951,1156 1.555,1157 1.599,1158 1.584,1159 1.521,1160 1.517,1161 1.835,1162 0.367,1163 4.501,1164 1.384,1165 4.005,1166 4.049,1167 4.128,1168 3.901,1169 7.429,1170 3.898,1171 3.88,1172 3.907,1173 3.92,1174 3.741,1175 5.038,1176 3.766,1177 3.753,1178 3.803,1179 3.661,1180 3.55,1181 4.813,1182 3.567,1183 3.414,1184 3.463,1185 3.434,1186 3.26,1187 4.62,1188 3.268,1189 3.258,1190 3.34,1191 3.337,1192 3.083,1193 4.487,1194 3.062,1195 3.102,1196 3.166,1197 3.237,1198 2.971,1199 4.296,1200 2.957,1201 2.939,1202 3.001,1203 3.051,1204 2.837,1205 4.232,1206 2.806,1207 2.899,1208 2.917,1209 2.937,1210 2.663,1211 3.78,1212 2.697,1213 0.154,1214 0.131,1215 0.232,1216 0.143,1217 0.111,1218 4.468,1219 0.138,1220 3.796,1221 0.05,1222 6.728,1223 0.378,1224 4.135,1225 0.102,1226 3.209,1227 3.988,1228 1.443,1229 10.961,1230 2.972,1231 1.901,1232 1.883,1233 1.976,1234 2.025,1235 1.24,1236 2.009,1237 1.797,1238 1.75,1239 1.963,1240 1.966,1241 1.163,1242 1.978,1243 1.595,1244 1.553,1245 1.725,1246 1.82,1247 0.906,1248 1.792,1249 1.453,1250 1.394,1251 1.633,1252 1.646,1253 0.766,1254 1.645,1255 1.298,1256 1.213,1257 1.609,1258 1.522,1259 0.738,1260 1.565,1261 1.113,1262 1.056,1263 1.365,1264 1.308,1265 0.516,1266 1.329,1267 0.897,1268 0.827,1269 1.284,1270 1.176,1271 0.429,1272 1.214,1273 0.847,1274 0.805,1275 0.971,1276 0.995,1277 0.116,1278 0.991,1279 4.078,1281 5.425,1282 2.398,1283 6.967,1284 4.727,1285 8.598,1286 6.843,1287 10.273,1289 2.015,1290 12.413,1295 2.532,1297 5.574,1299 0.112,1300 5.511,1305 29.385,1306 78.098,1307 168.931,1308 214.705,1309 227.46,1310 227.46,1311 227.46,1312 42.037,1313 7.625,1314 51.77,1315 51.77,1316 23,1317 12.623,1318 3.459,1319 3,1320 37.908,1321 90,1322 82,1323 0.206,1324 185.203,1325 333.14,1326 443.654,1327 20910,1328 4.5,1329 18.259,1330 0.702,1331 0.606,1332 19.259,1333 15.743,1334 12.525,1335 0.432,1336 0.316,1337 8.323,1338 11.424,1339 8.081,1340 6.605,1341 13.102,1342 9.163,1343 11.669,1344 0.278,1345 0.171,1346 12.373,1347 7.174,1348 10.131,1349 0.178,1350 0.094,1351 11.142,1352 5.368,1353 8.357,1354 0.111,1355 0.048,1356 8.83,1357 3.57,1358 6.676,1359 0.07,1360 0.025,1361 7.028,1362 2.347,1363 0.317,1364 85.081,1365 0.228,1366 24.749,1367 0.583,1368 142,1369 440.458,1370 188.649,1371 477.818,1372 634.89,1373 446,1374 170,1375 424.583,1376 216.127,1377 444.308,1378 659.96,1379 418,1380 6.447}
{0 CHEMBL1957867,1 1.743,2 9.556,3 3.337,4 11.136,5 106.041,6 8.667,7 0.2,8 3.972,9 4.082,10 3.674,11 3.506,12 5.042,13 3.494,14 4.55,15 4.72,16 4.125,17 3.93,18 5.616,19 3.909,20 4.814,21 4.983,22 4.3,23 4.12,24 5.905,25 4.053,26 4.908,27 5.155,28 4.079,29 4.087,30 5.908,31 3.975,32 4.763,33 4.991,34 3.988,35 3.979,36 5.74,37 3.881,38 4.731,39 4.951,40 4.06,41 3.928,42 5.823,43 3.875,44 4.616,45 4.798,46 4.027,47 3.884,48 5.794,49 3.809,50 4.593,51 4.815,52 3.849,53 3.76,54 5.729,55 3.674,56 0.066,57 0.701,58 7.748,59 4.033,60 6.766,61 5.073,62 0.394,63 1.151,64 18.541,65 7.007,66 22.723,67 8.862,68 0.6,69 1.37,70 30.833,71 9.631,72 44.272,73 11.627,74 0.745,75 1.446,76 38.511,77 10.896,78 59.221,79 14.877,80 0.452,81 1.273,82 31.262,83 9.867,84 41.012,85 13.352,86 0.643,87 1.222,88 28.606,89 7.905,90 58.721,91 10.092,92 0.549,93 1.078,94 24.26,95 8.059,96 44.551,97 10.369,98 0.61,99 0.979,100 26.707,101 7.733,102 63.95,103 9.649,104 26,105 45,106 0.299,107 0.647,108 0.813,109 0.859,110 0.859,111 0.859,112 3.341,113 0.95,114 -5.25,115 -5.13,116 -4.8,119 40.4,120 2,125 4,130 1,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 7,183 5,186 1,187 3,195 6,198 5,199 5,207 2,211 1,212 7,220 2,224 6,232 1,236 3,237 12,245 1,250 4,258 2,263 5,271 4,275 1086,276 17.74,277 17.74,278 17.74,279 17.74,280 17.74,281 16.257,282 25.275,283 10.02,284 18.423,285 14.777,286 14.777,287 14.777,288 14.777,289 14.777,290 12.428,291 34.402,292 4.736,293 16.056,294 3.812,295 1.778,296 0.814,297 0.543,298 0.543,299 0.543,300 4.032,301 2,304 1,305 1,306 557,307 2.915,310 57.109,311 230.119,314 102.582,318 1.572,319 27.986,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.667,331 258,332 4.474,333 3.798,334 6.78,335 4.205,336 3.27,337 3.988,338 1.443,339 11.177,340 3.054,341 4.315,342 3.548,343 6.71,344 4.1,345 3.171,346 3.81,347 1.074,348 10.898,349 2.944,350 4.227,351 3.437,352 6.342,353 3.855,354 2.94,355 3.26,356 0.88,357 9.447,358 2.666,359 3.828,360 3.169,361 6.035,362 3.535,363 2.615,364 2.994,365 0.86,366 8.685,367 2.396,368 3.539,369 2.953,370 5.62,371 3.245,372 2.296,373 2.679,374 0.68,375 7.236,376 2.158,377 3.275,378 2.508,379 5.02,380 2.833,381 1.907,382 2.507,383 0.249,384 5.591,385 1.686,386 2.93,387 2.046,388 4.468,389 2.497,390 1.564,391 2.03,392 0.136,393 4.351,394 1.454,395 2.867,396 1.89,397 4.421,398 2.36,399 1.414,400 1.906,402 3.923,403 1.286,404 2.623,405 1.738,406 3.869,407 2.254,408 1.323,409 1.566,411 3.179,412 1.215,413 2.433,414 1.684,415 3.791,416 2.089,417 1.172,418 1.327,420 2.736,421 1.064,422 2.139,423 1.331,424 3.691,425 1.843,426 0.901,427 1.079,428 2.309,429 0.84,430 1.584,431 1.149,432 3.072,433 1.163,434 0.36,435 0.395,436 0.864,437 0.235,438 1.395,439 0.554,440 2.826,441 0.763,442 -0.119,443 -0.152,445 -0.29,446 -0.094,447 1.049,448 0.15,449 2.702,450 0.656,451 -0.259,452 -0.261,454 -0.67,455 -0.235,456 0.761,457 0.072,458 2.636,459 0.605,460 -0.336,461 -0.468,463 -0.85,464 -0.305,465 13.195,466 0.489,467 0.92,468 0.034,469 30.5,470 1.13,471 11.5,472 0.426,473 19,474 0.704,475 27.072,476 1.003,477 29.405,478 0.626,479 22.884,480 0.848,481 6.016,482 0.223,483 6.822,484 0.253,485 0.209,486 0.038,487 0.318,493 0.724,494 1.622,495 0.546,496 1.052,497 0.576,498 0.939,499 0.906,500 0.964,501 0.596,502 0.726,503 0.567,504 0.731,505 1.282,506 1.277,507 0.857,508 0.973,509 0.953,510 1.043,511 0.782,512 0.825,513 0.919,514 0.868,515 0.849,516 0.914,517 0.726,518 1.206,519 0.832,520 1.063,521 0.804,522 1.01,523 1.341,524 0.841,525 0.824,526 0.68,527 1.607,528 0.76,529 0.861,530 1.196,531 0.903,532 1.119,533 1.153,534 1.104,535 1.307,536 0.729,537 0.876,538 0.777,539 1.691,540 0.856,541 7,542 0.149,543 4,544 2.194,545 1.991,546 0.958,547 0.694,548 0.593,549 0.319,550 0.18,551 8409,552 25744,553 2.066,554 42.6,556 12,557 2,561 6,564 1.704,565 1.895,566 3.263,567 -0.696,568 1,569 1,573 81.916,574 1.743,575 3.777,576 4.74,577 5.012,578 5.012,579 5.012,580 2.696,581 4.533,582 4.729,583 3.435,584 1205.59,585 8.223,586 15122.3,588 1,590 1,591 261.066,592 1.675,593 4.66,594 0.233,595 0.009,596 0.089,597 0.049,598 0.051,599 0.026,600 0.018,601 0.017,602 0.011,603 0.009,604 0.513,605 0.5,606 1,607 0.627,608 132.193,609 -0.036,610 -0.402,611 0.029,612 -0.146,613 -0.052,614 -0.053,615 0.031,616 0.191,617 0.098,618 0.159,619 0.08,620 0.152,621 -0.165,622 -0.221,623 -0.01,624 -0.039,625 -0.064,626 -0.135,627 0.063,628 0.18,629 -0.006,630 0.069,631 0.039,632 0.061,633 0.055,634 -0.22,635 0.024,636 -0.106,637 0.014,638 -0.018,639 -0.218,640 0.219,641 0.012,642 0.206,643 -0.217,644 0.14,645 0.162,646 -0.167,647 -0.022,648 -0.169,649 0.103,650 -0.165,651 -0.129,652 0.237,653 0.024,654 0.163,655 -0.055,656 0.092,657 1.782,658 5.595,659 0.778,660 22.453,661 1.014,662 1.128,663 4.016,664 16.126,665 0.691,666 3.434,667 3.829,668 4.094,669 4.369,670 4.605,671 4.718,672 4.883,673 5.043,674 5.159,675 5.209,676 5.995,677 0.658,678 407.33,679 3.434,680 5.017,681 5.883,682 6.792,683 7.675,684 8.585,685 9.474,686 10.385,687 11.28,688 12.19,689 8.5,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 47,733 10,734 1,735 30,737 50,738 19,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,752 2,756 1,761 12,762 7,763 1,766 4,771 1,773 3,774 1,775 3,778 1,781 20,782 6,784 8,785 2,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 2,845 2,848 27,854 4,856 1,859 3,860 1,869 2,870 4.3,873 1,874 1,877 14.25,878 9.169,879 5.667,880 2.763,881 2.176,882 1.282,883 0.974,884 4.969,885 9.895,886 3.638,887 4.197,888 4.689,889 5.181,890 5.624,891 5.854,892 6.146,893 6.467,894 6.777,895 6.978,896 1,897 45,898 9.998,900 4.34,901 7.758,902 19.062,904 15.974,905 2.258,906 60.972,909 1,910 235.422,911 103.678,912 26.158,913 78.297,914 36.145,917 103.678,918 349.864,919 26.158,920 17.65,921 32.129,922 37.905,923 40.849,924 35.549,925 25.441,926 211.88,927 78.297,928 235.422,929 129.837,930 36.145,931 78.297,933 164.795,934 95.772,935 11,937 54.718,938 65.642,939 87.774,941 235.422,942 62.303,943 181.975,946 235.422,947 30.028,948 83.023,950 131.228,951 235.422,952 62.303,953 181.975,955 0.604,956 0.349,957 0.18,958 0.097,959 24,960 11,961 0.06,962 3,963 1,964 1.095,965 3.758,966 242.327,967 0.095,968 21,969 126.382,974 18.813,975 7.132,976 3.74,978 62.303,979 5.523,984 1.89,987 479.701,988 37,993 12.595,995 5.12,996 4.754,997 1.113,999 47.662,1000 53.037,1001 0.314,1002 0.68,1003 0.853,1004 0.902,1005 0.902,1006 0.902,1007 4.945,1008 1.414,1009 5.932,1010 4.351,1011 4.511,1012 4.883,1013 2.363,1014 6.812,1015 4.351,1016 6.17,1017 1.323,1018 7.545,1019 3.923,1020 4.369,1021 4.783,1022 1.104,1023 7.982,1024 4.111,1025 7.503,1026 1.172,1027 9.26,1028 3.179,1029 6.229,1030 6.977,1031 2.46,1032 11.002,1033 5.922,1034 8.864,1035 0.901,1036 11.032,1037 2.736,1038 6.847,1039 7.619,1040 1.822,1041 12.913,1042 6.439,1043 10.253,1044 0.36,1045 12.838,1046 2.309,1047 8.249,1048 9.354,1049 2.786,1050 15.508,1051 7.793,1052 11.661,1053 -0.119,1054 14.666,1055 0.864,1056 9.179,1057 10.34,1058 2.537,1059 17.699,1060 8.63,1061 13.083,1062 -0.259,1063 16.51,1064 -0.29,1065 10.42,1066 11.885,1067 3.27,1068 20.157,1069 9.816,1070 3.27,1071 -0.336,1072 18.365,1073 -0.67,1074 11.48,1075 13.044,1076 3.269,1077 22.463,1078 10.792,1079 3.171,1080 11.177,1081 20.227,1082 -0.85,1083 12.664,1084 14.5,1085 3.856,1086 24.875,1087 11.914,1088 2.94,1089 10.898,1090 22.097,1091 3.988,1092 13.779,1093 15.752,1094 4.008,1095 27.229,1096 12.952,1097 2.615,1098 9.447,1099 23.971,1100 3.81,1101 14.945,1102 17.165,1103 4.507,1104 29.627,1105 14.053,1106 2.296,1107 8.685,1108 25.849,1109 3.26,1110 16.085,1111 18.467,1112 4.747,1113 32.004,1114 15.12,1115 1.907,1116 7.236,1117 27.73,1118 2.994,1119 17.246,1120 19.858,1121 5.193,1122 34.4,1123 16.215,1124 1.564,1125 5.591,1126 29.615,1127 2.679,1128 18.399,1129 21.188,1130 5.486,1131 36.788,1132 17.297,1133 8057,1134 14274,1135 19.592,1136 32.5,1137 47.187,1138 48.499,1139 47.636,1140 45.956,1141 45.867,1142 55.081,1143 10.643,1144 140.793,1145 41.998,1146 5.474,1147 5.798,1148 6.316,1149 5.311,1150 5.27,1151 6.988,1152 2.571,1153 18.369,1154 5.054,1155 14.837,1156 1.573,1157 1.617,1158 1.588,1159 1.532,1160 1.529,1161 1.836,1162 0.355,1163 4.693,1164 1.4,1165 4.008,1166 4.053,1167 4.128,1168 3.901,1169 7.429,1170 3.899,1171 3.886,1172 3.913,1173 3.924,1174 3.752,1175 5.038,1176 3.774,1177 3.783,1178 3.828,1179 3.702,1180 3.598,1181 4.815,1182 3.615,1183 3.445,1184 3.504,1185 3.439,1186 3.295,1187 4.647,1188 3.299,1189 3.304,1190 3.37,1191 3.351,1192 3.127,1193 4.487,1194 3.115,1195 3.102,1196 3.166,1197 3.248,1198 2.972,1199 4.298,1200 2.958,1201 2.941,1202 3.009,1203 3.12,1204 2.837,1205 4.234,1206 2.806,1207 2.899,1208 3.001,1209 2.939,1210 2.667,1211 3.88,1212 2.7,1213 0.149,1214 0.127,1215 0.226,1216 0.14,1217 0.109,1218 4.474,1219 0.133,1220 3.798,1221 0.048,1222 6.78,1223 0.373,1224 4.205,1225 0.102,1226 3.27,1227 3.988,1228 1.443,1229 11.177,1230 3.054,1231 1.901,1232 1.883,1233 1.997,1234 2.037,1235 1.265,1236 2.023,1237 1.82,1238 1.774,1239 1.971,1240 1.969,1241 1.163,1242 1.982,1243 1.63,1244 1.59,1245 1.756,1246 1.84,1247 0.949,1248 1.813,1249 1.454,1250 1.396,1251 1.645,1252 1.647,1253 0.767,1254 1.647,1255 1.35,1256 1.27,1257 1.613,1258 1.574,1259 0.738,1260 1.606,1261 1.114,1262 1.056,1263 1.417,1264 1.308,1265 0.523,1266 1.329,1267 0.934,1268 0.827,1269 1.364,1270 1.239,1271 0.469,1272 1.308,1273 0.893,1274 0.805,1275 1.262,1276 1.171,1277 0.423,1278 1.202,1279 4.111,1281 5.485,1282 2.398,1283 7.045,1284 4.727,1285 8.689,1286 6.843,1287 10.375,1289 4.072,1290 12.441,1295 2.455,1297 5.762,1300 5.524,1301 -0.276,1305 30.911,1306 81.916,1307 177.498,1308 222.801,1309 235.556,1310 235.556,1311 235.556,1312 46.706,1313 7.719,1314 51.77,1315 51.77,1316 23,1317 12.708,1318 3.459,1319 3,1320 40.078,1321 96,1322 85,1323 0.204,1324 194.795,1325 350.44,1326 467.06,1327 23443,1328 4.3,1329 19.181,1330 0.71,1331 0.617,1332 20.181,1333 16.666,1334 12.838,1335 0.428,1336 0.317,1337 8.662,1338 11.744,1339 8.33,1340 6.846,1341 13.415,1342 9.499,1343 12.658,1344 0.281,1345 0.179,1346 13.362,1347 8.076,1348 10.398,1349 0.176,1350 0.094,1351 11.408,1352 5.553,1353 8.607,1354 0.11,1355 0.048,1356 9.079,1357 3.755,1358 6.872,1359 0.069,1360 0.025,1361 7.223,1362 2.473,1363 0.315,1364 86.906,1365 0.226,1366 25.521,1367 0.579,1368 150,1369 448.458,1370 197.313,1371 487.446,1372 648.79,1373 454,1374 179,1375 438.492,1376 225.625,1377 460.291,1378 680.98,1379 431,1380 6.201}
{0 CHEMBL1957868,1 1.775,2 10.31,3 3.232,4 10.444,5 102.809,6 8.129,7 0.188,8 4.041,9 4.156,10 3.672,11 3.502,12 5.17,13 3.525,14 4.645,15 4.821,16 4.148,17 3.906,18 6.182,19 3.925,20 4.833,21 5.019,22 4.141,23 4.077,24 5.983,25 4.059,26 4.955,27 5.174,28 4.146,29 4.099,30 6.191,31 4.06,32 4.983,33 5.238,34 4.028,35 4.004,36 6.15,37 3.963,38 4.835,39 5.064,40 3.954,41 3.911,42 6.041,43 3.893,44 4.713,45 4.912,46 3.948,47 3.883,48 5.952,49 3.856,50 4.731,51 4.964,52 3.895,53 3.768,54 6.084,55 3.742,56 0.169,57 0.961,58 8.842,59 4.48,60 23,61 5.372,62 1.083,63 1.837,64 21.32,65 7.482,66 140.703,67 9.172,68 0.709,69 1.745,70 25.282,71 9.269,72 54.076,73 11.861,74 0.888,75 1.985,76 30.439,77 10.677,78 77.321,79 13.735,80 1.133,81 1.874,82 35.98,83 10.704,84 141.641,85 13.866,86 1.177,87 1.542,88 29.783,89 7.867,90 118.259,91 10.174,92 0.725,93 1.478,94 23.011,95 7.957,96 56.048,97 10.364,98 1.012,99 1.506,100 26.811,101 8.118,102 92.355,103 10.627,104 38,105 48,106 0.301,107 0.643,108 0.837,109 0.873,110 0.88,111 0.88,112 3.409,113 0.876,114 -5.09,115 -4.98,116 -4.67,119 40,120 2,125 4,127 1,132 1,135 1,137 2,139 1,142 3,143 3,158 1,159 1,172 7,174 5,175 6,183 8,186 1,187 3,195 5,198 5,199 6,207 1,211 1,212 7,220 1,224 8,232 1,236 3,237 9,245 2,250 6,258 3,263 3,271 2,275 1293,276 18.919,277 18.919,278 18.919,279 18.919,280 18.919,281 17.527,282 27.119,283 10.735,284 19.662,285 15.783,286 15.783,287 15.783,288 15.783,289 15.783,290 13.486,291 35.105,292 5.084,293 17.068,294 3.869,295 1.848,296 0.7,297 0.485,298 0.445,299 0.445,300 4.098,304 1,305 1,306 641,307 3.464,310 62.388,311 253.812,314 113.234,318 1.631,319 49.755,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 66.5,331 299,332 4.582,333 4.472,334 7.265,335 4.288,336 3.394,337 4.121,338 3.825,339 12.291,340 3.105,341 4.455,342 3.795,343 6.725,344 4.125,345 3.202,346 3.814,347 1.443,348 10.952,349 2.958,350 3.977,351 3.238,352 6.14,353 3.729,354 2.81,355 3.181,356 1.074,357 9.062,358 2.571,359 3.871,360 3.166,361 6.059,362 3.6,363 2.668,364 3.049,365 0.88,366 8.608,367 2.437,368 3.552,369 2.965,370 5.596,371 3.248,372 2.297,373 2.688,374 0.86,375 7.139,376 2.166,377 3.322,378 2.655,379 5.05,380 3.098,381 2.171,382 2.355,383 0.68,384 6.072,385 1.998,386 2.961,387 2.169,388 4.801,389 2.567,390 1.622,391 2.079,392 0.249,393 4.945,394 1.495,395 2.868,396 1.834,397 4.409,398 2.414,399 1.472,400 1.989,401 0.136,402 4.054,403 1.414,404 2.848,405 1.735,406 4.336,407 2.407,408 1.414,409 1.824,411 3.834,412 1.372,413 2.533,414 1.566,415 3.874,416 2.22,417 1.279,418 1.49,420 3.171,421 1.193,422 2.398,423 1.512,424 3.674,425 2.079,426 1.155,427 1.287,428 2.627,429 1.057,430 2.128,431 1.329,432 3.465,433 1.84,434 0.896,435 1.075,436 2.273,437 0.839,438 1.559,439 0.755,440 3.16,441 1.216,442 0.241,443 0.274,445 0.626,446 0.234,447 1.31,448 0.51,449 2.792,450 0.784,451 -0.204,452 -0.272,454 -0.516,455 -0.197,456 0.907,457 0.51,458 2.706,459 0.578,460 -0.398,461 -0.406,463 -0.889,464 -0.368,465 13.124,466 0.453,467 1.022,468 0.035,469 31.75,470 1.095,471 11.5,472 0.397,473 20.25,474 0.698,475 27.936,476 0.963,477 33.076,478 0.662,479 27.981,480 0.965,481 6.617,482 0.228,483 7.119,484 0.245,485 0.167,486 0.038,487 0.358,490 3,493 0.619,494 1.227,495 0.648,496 1.254,497 0.561,498 1.038,499 0.586,500 0.701,501 0.705,502 0.836,503 0.367,504 0.816,505 0.785,506 0.967,507 0.897,508 1.055,509 0.565,510 1.032,511 0.779,512 1.051,513 0.971,514 1.141,515 0.786,516 1.131,517 1.074,518 1.061,519 0.996,520 0.941,521 1.103,522 0.928,523 1.187,524 0.719,525 1.171,526 0.714,527 1.223,528 0.858,529 0.741,530 0.96,531 0.972,532 1.121,533 0.713,534 1.126,535 0.907,536 0.798,537 0.936,538 0.958,539 1.013,540 0.966,541 7.5,542 0.202,543 4.222,544 2.632,545 2.018,546 1.09,547 0.713,548 0.608,549 0.406,550 0.279,551 10139,552 33984,553 2.041,554 42,555 3,556 13,557 2,561 3,564 1.722,565 1.861,566 3.36,567 -0.683,568 1,569 1,573 88.761,574 1.775,575 3.796,576 4.943,577 5.159,578 5.199,579 5.199,580 2.748,581 4.392,582 4.832,583 3.537,584 1435.85,585 8.428,586 19013.8,588 1,590 1,591 282.193,592 1.694,593 4.757,594 0.234,595 0.009,596 0.088,597 0.054,598 0.044,599 0.027,600 0.018,601 0.016,602 0.012,603 0.012,604 0.513,605 0.5,606 1,607 0.805,608 145.847,609 -0.038,610 -0.237,611 0.055,612 -0.16,613 -0.07,614 -0.054,615 0.296,616 0.307,617 0.168,618 0.147,619 0.384,620 0.115,621 -0.087,622 -0.145,623 -0.051,624 -0.064,625 -0.002,626 -0.052,627 -0.008,628 -0.132,629 -0.064,630 -0.166,631 -0.001,632 -0.147,633 -0.115,634 -0.084,635 0.022,636 0.023,637 -0.111,638 0.069,639 -0.193,640 0.213,641 -0.191,642 0.191,643 -0.206,644 0.06,645 -0.004,646 -0.137,647 -0.096,648 -0.162,649 0.004,650 -0.161,651 0.087,652 0.14,653 0.064,654 -0.002,655 0.03,656 0.007,657 5.658,658 5.545,659 0.724,660 25.365,661 1.029,662 1.152,663 3.858,664 14.881,665 0.647,666 3.497,667 3.892,668 4.159,669 4.443,670 4.654,671 4.754,672 4.949,673 5.088,674 5.193,675 5.298,676 6.375,677 0.639,678 406.45,679 3.497,680 5.081,681 5.948,682 6.86,683 7.744,684 8.655,685 9.548,686 10.459,687 11.356,688 12.267,689 8,692 2,696 1,698 1,704 3,709 3,711 6,731 50,733 10,734 1,735 32,737 53,738 20,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 3,755 1,757 1,758 1,761 12,762 8,766 4,771 1,773 3,774 1,775 3,778 1,779 3,781 21,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 2,846 3,848 29,854 4,856 1,858 1,859 3,860 1,869 3,870 4,873 1,874 1,877 15.583,878 9.645,879 6.083,880 3,881 2.238,882 1.284,883 0.986,884 5.176,885 10.106,886 3.689,887 4.241,888 4.751,889 5.262,890 5.7,891 5.937,892 6.269,893 6.55,894 6.816,895 7.103,896 0.857,897 49,898 11.233,900 5.331,901 8.193,902 20.003,904 16.708,905 2.693,906 78.083,909 1,910 247.193,911 110.808,912 26.158,914 36.145,915 44.88,917 110.808,918 283.338,919 71.039,920 17.65,921 32.129,922 37.905,923 40.849,924 79.799,925 25.441,926 223.651,927 7.76,928 247.193,929 136.966,930 81.025,933 211.88,934 105.339,935 11,937 62.478,938 65.012,939 9.476,941 292.073,942 62.303,943 110.808,946 254.953,947 29.398,948 83.023,950 97.811,951 247.193,952 107.184,953 110.808,955 0.604,956 0.348,957 0.185,958 0.097,959 25,960 12,961 0.057,962 3,963 1,964 1.095,965 3.887,966 266.679,967 0.095,968 21,969 136.127,974 19.994,975 7.508,976 3.918,978 107.184,979 4.136,984 0.046,987 465.184,988 39,993 12.545,995 4.722,996 4.625,997 0.706,999 51.436,1000 57.583,1001 0.315,1002 0.673,1003 0.876,1004 0.914,1005 0.921,1006 0.921,1007 5.001,1008 1.472,1009 5.999,1010 4.945,1011 4.575,1012 4.927,1013 3.417,1014 6.889,1015 4.429,1016 6.223,1017 1.414,1018 7.618,1019 4.054,1020 4.443,1021 4.832,1022 3.943,1023 8.076,1024 4.151,1025 7.555,1026 1.279,1027 9.345,1028 3.834,1029 6.293,1030 7.019,1031 5.467,1032 11.134,1033 5.986,1034 8.917,1035 1.155,1036 11.134,1037 3.171,1038 6.929,1039 7.689,1040 6.696,1041 13.101,1042 6.477,1043 10.312,1044 0.896,1045 12.963,1046 2.627,1047 8.334,1048 9.424,1049 8.063,1050 15.752,1051 7.847,1052 11.729,1053 0.241,1054 14.82,1055 2.273,1056 9.289,1057 10.452,1058 9.389,1059 18.022,1060 8.678,1061 13.163,1062 -0.204,1063 16.697,1064 0.626,1065 10.544,1066 12.003,1067 10.735,1068 20.55,1069 9.875,1070 3.394,1071 -0.398,1072 18.59,1073 -0.516,1074 11.634,1075 13.208,1076 12.074,1077 22.943,1078 10.857,1079 3.202,1080 12.291,1081 20.495,1082 -0.889,1083 12.84,1084 14.676,1085 13.417,1086 25.436,1087 11.991,1088 2.81,1089 10.952,1090 22.41,1091 4.121,1092 13.988,1093 15.972,1094 14.758,1095 27.882,1096 13.042,1097 2.668,1098 9.062,1099 24.334,1100 3.814,1101 15.182,1102 17.402,1103 16.1,1104 30.367,1105 14.156,1106 2.297,1107 8.608,1108 26.265,1109 3.181,1110 16.356,1111 18.746,1112 17.441,1113 32.838,1114 15.239,1115 2.171,1116 7.139,1117 28.201,1118 3.049,1119 17.55,1120 20.16,1121 18.783,1122 35.325,1123 16.348,1124 1.622,1125 6.072,1126 30.143,1127 2.688,1128 18.738,1129 21.529,1130 20.124,1131 37.808,1132 17.447,1133 9775,1134 18082,1135 20.69,1136 32.358,1137 50.605,1138 49.805,1139 51.107,1140 49.45,1141 49.24,1142 58.452,1143 18.294,1144 151.308,1145 45.676,1146 5.582,1147 6.472,1148 6.817,1149 5.393,1150 5.394,1151 7.121,1152 5.335,1153 20.012,1154 5.105,1155 17.094,1156 1.581,1157 1.556,1158 1.597,1159 1.545,1160 1.539,1161 1.827,1162 0.572,1163 4.728,1164 1.427,1165 4.025,1166 4.067,1167 3.984,1168 3.924,1169 8.513,1170 3.928,1171 3.911,1172 3.948,1173 3.874,1174 3.745,1175 7.999,1176 3.774,1177 3.758,1178 3.812,1179 3.659,1180 3.551,1181 7.999,1182 3.569,1183 3.438,1184 3.484,1185 3.395,1186 3.266,1187 7.429,1188 3.278,1189 3.319,1190 3.378,1191 3.28,1192 3.092,1193 4.832,1194 3.105,1195 3.249,1196 3.321,1197 3.055,1198 3.055,1199 4.668,1200 3.053,1201 3.171,1202 3.256,1203 2.979,1204 3.027,1205 4.615,1206 3.006,1207 3.038,1208 3.111,1209 2.924,1210 2.756,1211 4.257,1212 2.787,1213 0.143,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.582,1219 0.129,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.288,1225 0.097,1226 3.394,1227 4.121,1228 3.825,1229 12.291,1230 3.105,1231 1.951,1232 1.928,1233 2.053,1234 2.046,1235 1.245,1236 2.045,1237 1.798,1238 1.75,1239 1.967,1240 2.014,1241 1.237,1242 2,1243 1.595,1244 1.553,1245 1.726,1246 1.823,1247 0.907,1248 1.793,1249 1.465,1250 1.406,1251 1.641,1252 1.675,1253 0.799,1254 1.663,1255 1.299,1256 1.215,1257 1.616,1258 1.524,1259 0.751,1260 1.565,1261 1.21,1262 1.133,1263 1.552,1264 1.435,1265 0.603,1266 1.469,1267 1.158,1268 1.11,1269 1.373,1270 1.418,1271 0.52,1272 1.373,1273 0.98,1274 0.913,1275 1.286,1276 1.282,1277 0.433,1278 1.269,1279 4.174,1281 5.549,1282 2.398,1283 7.109,1284 4.727,1285 8.754,1286 6.843,1287 10.444,1289 3.417,1291 39.67,1295 1.977,1297 5.537,1299 0.031,1300 5.079,1301 -4.408,1305 31.933,1306 88.761,1307 189.815,1308 247.173,1309 257.928,1310 259.928,1311 259.928,1312 65.704,1313 7.868,1314 51.77,1315 51.77,1316 23,1317 12.784,1318 3.459,1319 3,1320 44.603,1321 111,1322 100,1323 0.198,1324 191.316,1325 355.53,1326 458.571,1327 28419,1328 6,1329 20.759,1330 0.716,1331 0.555,1332 18.259,1333 16.109,1334 13.736,1335 0.429,1336 0.292,1337 9.127,1338 12.891,1339 8.934,1340 7.312,1341 12.525,1342 9.346,1343 13.664,1344 0.285,1345 0.151,1346 11.669,1347 7.264,1348 10.836,1349 0.172,1350 0.083,1351 10.131,1352 5.23,1353 9.34,1354 0.111,1355 0.044,1356 8.357,1357 3.681,1358 7.245,1359 0.07,1360 0.023,1361 6.676,1362 2.387,1363 0.307,1364 88.248,1365 0.22,1366 27.153,1367 0.556,1368 160,1369 664.385,1370 192.627,1371 550.582,1372 724.47,1373 512,1374 191,1375 514.858,1376 218.421,1377 496.838,1378 754.85,1379 466,1380 6.102}
{0 CHEMBL1957869,1 1.775,2 10.31,3 3.232,4 10.444,5 102.809,6 8.129,7 0.188,8 4.041,9 4.156,10 3.672,11 3.502,12 5.17,13 3.525,14 4.645,15 4.821,16 4.148,17 3.906,18 6.182,19 3.925,20 4.833,21 5.019,22 4.141,23 4.077,24 5.983,25 4.059,26 4.955,27 5.174,28 4.146,29 4.099,30 6.191,31 4.06,32 4.983,33 5.238,34 4.028,35 4.004,36 6.15,37 3.963,38 4.835,39 5.064,40 3.954,41 3.911,42 6.041,43 3.893,44 4.713,45 4.912,46 3.948,47 3.883,48 5.952,49 3.856,50 4.731,51 4.964,52 3.895,53 3.768,54 6.084,55 3.742,56 0.169,57 0.961,58 8.842,59 4.48,60 23,61 5.372,62 1.083,63 1.837,64 21.32,65 7.482,66 140.703,67 9.172,68 0.709,69 1.745,70 25.282,71 9.269,72 54.076,73 11.861,74 0.888,75 1.985,76 30.439,77 10.677,78 77.321,79 13.735,80 1.133,81 1.874,82 35.98,83 10.704,84 141.641,85 13.866,86 1.177,87 1.542,88 29.783,89 7.867,90 118.259,91 10.174,92 0.725,93 1.478,94 23.011,95 7.957,96 56.048,97 10.364,98 1.012,99 1.506,100 26.811,101 8.118,102 92.355,103 10.627,104 38,105 48,106 0.301,107 0.643,108 0.837,109 0.873,110 0.88,111 0.88,112 3.409,113 0.876,114 -5.09,115 -4.98,116 -4.67,119 40,120 2,125 4,127 1,132 1,135 1,137 2,139 1,142 3,143 3,158 1,159 1,172 7,174 5,175 6,183 8,186 1,187 3,195 5,198 5,199 6,207 1,211 1,212 7,220 1,224 8,232 1,236 3,237 9,245 2,250 6,258 3,263 3,271 2,275 1293,276 18.919,277 18.919,278 18.919,279 18.919,280 18.919,281 17.527,282 27.119,283 10.735,284 19.662,285 15.783,286 15.783,287 15.783,288 15.783,289 15.783,290 13.486,291 35.105,292 5.084,293 17.068,294 3.869,295 1.848,296 0.7,297 0.485,298 0.445,299 0.445,300 4.098,304 1,305 1,306 641,307 3.464,310 62.388,311 253.812,314 113.234,318 1.631,319 49.755,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 66.5,331 299,332 4.582,333 4.472,334 7.265,335 4.288,336 3.394,337 4.121,338 3.825,339 12.291,340 3.105,341 4.455,342 3.795,343 6.725,344 4.125,345 3.202,346 3.814,347 1.443,348 10.952,349 2.958,350 3.977,351 3.238,352 6.14,353 3.729,354 2.81,355 3.181,356 1.074,357 9.062,358 2.571,359 3.871,360 3.166,361 6.059,362 3.6,363 2.668,364 3.049,365 0.88,366 8.608,367 2.437,368 3.552,369 2.965,370 5.596,371 3.248,372 2.297,373 2.688,374 0.86,375 7.139,376 2.166,377 3.322,378 2.655,379 5.05,380 3.098,381 2.171,382 2.355,383 0.68,384 6.072,385 1.998,386 2.961,387 2.169,388 4.801,389 2.567,390 1.622,391 2.079,392 0.249,393 4.945,394 1.495,395 2.868,396 1.834,397 4.409,398 2.414,399 1.472,400 1.989,401 0.136,402 4.054,403 1.414,404 2.848,405 1.735,406 4.336,407 2.407,408 1.414,409 1.824,411 3.834,412 1.372,413 2.533,414 1.566,415 3.874,416 2.22,417 1.279,418 1.49,420 3.171,421 1.193,422 2.398,423 1.512,424 3.674,425 2.079,426 1.155,427 1.287,428 2.627,429 1.057,430 2.128,431 1.329,432 3.465,433 1.84,434 0.896,435 1.075,436 2.273,437 0.839,438 1.559,439 0.755,440 3.16,441 1.216,442 0.241,443 0.274,445 0.626,446 0.234,447 1.31,448 0.51,449 2.792,450 0.784,451 -0.204,452 -0.272,454 -0.516,455 -0.197,456 0.907,457 0.51,458 2.706,459 0.578,460 -0.398,461 -0.406,463 -0.889,464 -0.368,465 13.124,466 0.453,467 1.022,468 0.035,469 31.75,470 1.095,471 11.5,472 0.397,473 20.25,474 0.698,475 27.936,476 0.963,477 33.076,478 0.662,479 27.981,480 0.965,481 6.617,482 0.228,483 7.119,484 0.245,485 0.167,486 0.038,487 0.358,490 3,493 0.619,494 1.227,495 0.648,496 1.254,497 0.561,498 1.038,499 0.586,500 0.701,501 0.705,502 0.836,503 0.367,504 0.816,505 0.785,506 0.967,507 0.897,508 1.055,509 0.565,510 1.032,511 0.779,512 1.051,513 0.971,514 1.141,515 0.786,516 1.131,517 1.074,518 1.061,519 0.996,520 0.941,521 1.103,522 0.928,523 1.187,524 0.719,525 1.171,526 0.714,527 1.223,528 0.858,529 0.741,530 0.96,531 0.972,532 1.121,533 0.713,534 1.126,535 0.907,536 0.798,537 0.936,538 0.958,539 1.013,540 0.966,541 7.5,542 0.202,543 4.222,544 2.632,545 2.018,546 1.09,547 0.713,548 0.608,549 0.406,550 0.279,551 10139,552 33984,553 2.041,554 42,555 3,556 13,557 2,561 3,564 1.722,565 1.861,566 3.36,567 -0.683,568 1,569 1,573 88.761,574 1.775,575 3.796,576 4.943,577 5.159,578 5.199,579 5.199,580 2.748,581 4.392,582 4.832,583 3.537,584 1435.85,585 8.428,586 19013.8,588 1,590 1,591 282.193,592 1.694,593 4.757,594 0.234,595 0.009,596 0.088,597 0.054,598 0.044,599 0.027,600 0.018,601 0.016,602 0.012,603 0.012,604 0.513,605 0.5,606 1,607 0.805,608 145.847,609 -0.038,610 -0.237,611 0.055,612 -0.16,613 -0.07,614 -0.054,615 0.296,616 0.307,617 0.168,618 0.147,619 0.384,620 0.115,621 -0.087,622 -0.145,623 -0.051,624 -0.064,625 -0.002,626 -0.052,627 -0.008,628 -0.132,629 -0.064,630 -0.166,631 -0.001,632 -0.147,633 -0.115,634 -0.084,635 0.022,636 0.023,637 -0.111,638 0.069,639 -0.193,640 0.213,641 -0.191,642 0.191,643 -0.206,644 0.06,645 -0.004,646 -0.137,647 -0.096,648 -0.162,649 0.004,650 -0.161,651 0.087,652 0.14,653 0.064,654 -0.002,655 0.03,656 0.007,657 5.658,658 5.545,659 0.724,660 25.365,661 1.029,662 1.152,663 3.858,664 14.881,665 0.647,666 3.497,667 3.892,668 4.159,669 4.443,670 4.654,671 4.754,672 4.949,673 5.088,674 5.193,675 5.298,676 6.375,677 0.639,678 406.45,679 3.497,680 5.081,681 5.948,682 6.86,683 7.744,684 8.655,685 9.548,686 10.459,687 11.356,688 12.267,689 8,692 2,696 1,698 1,704 3,709 3,711 6,731 50,733 10,734 1,735 32,737 53,738 20,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 3,755 1,757 1,758 1,761 12,762 8,766 4,771 1,773 3,774 1,775 3,778 1,779 3,781 21,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 2,846 3,848 29,854 4,856 1,858 1,859 3,860 1,869 3,870 4,873 1,874 1,877 15.583,878 9.645,879 6.083,880 3,881 2.238,882 1.284,883 0.986,884 5.176,885 10.106,886 3.689,887 4.241,888 4.751,889 5.262,890 5.7,891 5.937,892 6.269,893 6.55,894 6.816,895 7.103,896 0.857,897 49,898 11.233,900 5.331,901 8.193,902 20.003,904 16.708,905 2.693,906 78.083,909 1,910 247.193,911 110.808,912 26.158,914 36.145,915 44.88,917 110.808,918 283.338,919 71.039,920 17.65,921 32.129,922 37.905,923 40.849,924 79.799,925 25.441,926 223.651,927 7.76,928 247.193,929 136.966,930 81.025,933 211.88,934 105.339,935 11,937 62.478,938 65.012,939 9.476,941 292.073,942 62.303,943 110.808,946 254.953,947 29.398,948 83.023,950 97.811,951 247.193,952 107.184,953 110.808,955 0.604,956 0.348,957 0.185,958 0.097,959 25,960 12,961 0.057,962 3,963 1,964 1.095,965 3.887,966 266.679,967 0.095,968 21,969 136.127,974 19.994,975 7.508,976 3.918,978 107.184,979 4.136,984 0.046,987 465.184,988 39,993 12.545,995 4.722,996 4.625,997 0.706,999 51.436,1000 57.583,1001 0.315,1002 0.673,1003 0.876,1004 0.914,1005 0.921,1006 0.921,1007 5.001,1008 1.472,1009 5.999,1010 4.945,1011 4.575,1012 4.927,1013 3.417,1014 6.889,1015 4.429,1016 6.223,1017 1.414,1018 7.618,1019 4.054,1020 4.443,1021 4.832,1022 3.943,1023 8.076,1024 4.151,1025 7.555,1026 1.279,1027 9.345,1028 3.834,1029 6.293,1030 7.019,1031 5.467,1032 11.134,1033 5.986,1034 8.917,1035 1.155,1036 11.134,1037 3.171,1038 6.929,1039 7.689,1040 6.696,1041 13.101,1042 6.477,1043 10.312,1044 0.896,1045 12.963,1046 2.627,1047 8.334,1048 9.424,1049 8.063,1050 15.752,1051 7.847,1052 11.729,1053 0.241,1054 14.82,1055 2.273,1056 9.289,1057 10.452,1058 9.389,1059 18.022,1060 8.678,1061 13.163,1062 -0.204,1063 16.697,1064 0.626,1065 10.544,1066 12.003,1067 10.735,1068 20.55,1069 9.875,1070 3.394,1071 -0.398,1072 18.59,1073 -0.516,1074 11.634,1075 13.208,1076 12.074,1077 22.943,1078 10.857,1079 3.202,1080 12.291,1081 20.495,1082 -0.889,1083 12.84,1084 14.676,1085 13.417,1086 25.436,1087 11.991,1088 2.81,1089 10.952,1090 22.41,1091 4.121,1092 13.988,1093 15.972,1094 14.758,1095 27.882,1096 13.042,1097 2.668,1098 9.062,1099 24.334,1100 3.814,1101 15.182,1102 17.402,1103 16.1,1104 30.367,1105 14.156,1106 2.297,1107 8.608,1108 26.265,1109 3.181,1110 16.356,1111 18.746,1112 17.441,1113 32.838,1114 15.239,1115 2.171,1116 7.139,1117 28.201,1118 3.049,1119 17.55,1120 20.16,1121 18.783,1122 35.325,1123 16.348,1124 1.622,1125 6.072,1126 30.143,1127 2.688,1128 18.738,1129 21.529,1130 20.124,1131 37.808,1132 17.447,1133 9775,1134 18082,1135 20.69,1136 32.358,1137 50.605,1138 49.805,1139 51.107,1140 49.45,1141 49.24,1142 58.452,1143 18.294,1144 151.308,1145 45.676,1146 5.582,1147 6.472,1148 6.817,1149 5.393,1150 5.394,1151 7.121,1152 5.335,1153 20.012,1154 5.105,1155 17.094,1156 1.581,1157 1.556,1158 1.597,1159 1.545,1160 1.539,1161 1.827,1162 0.572,1163 4.728,1164 1.427,1165 4.025,1166 4.067,1167 3.984,1168 3.924,1169 8.513,1170 3.928,1171 3.911,1172 3.948,1173 3.874,1174 3.745,1175 7.999,1176 3.774,1177 3.758,1178 3.812,1179 3.659,1180 3.551,1181 7.999,1182 3.569,1183 3.438,1184 3.484,1185 3.395,1186 3.266,1187 7.429,1188 3.278,1189 3.319,1190 3.378,1191 3.28,1192 3.092,1193 4.832,1194 3.105,1195 3.249,1196 3.321,1197 3.055,1198 3.055,1199 4.668,1200 3.053,1201 3.171,1202 3.256,1203 2.979,1204 3.027,1205 4.615,1206 3.006,1207 3.038,1208 3.111,1209 2.924,1210 2.756,1211 4.257,1212 2.787,1213 0.143,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.582,1219 0.129,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.288,1225 0.097,1226 3.394,1227 4.121,1228 3.825,1229 12.291,1230 3.105,1231 1.951,1232 1.928,1233 2.053,1234 2.046,1235 1.245,1236 2.045,1237 1.798,1238 1.75,1239 1.967,1240 2.014,1241 1.237,1242 2,1243 1.595,1244 1.553,1245 1.726,1246 1.823,1247 0.907,1248 1.793,1249 1.465,1250 1.406,1251 1.641,1252 1.675,1253 0.799,1254 1.663,1255 1.299,1256 1.215,1257 1.616,1258 1.524,1259 0.751,1260 1.565,1261 1.21,1262 1.133,1263 1.552,1264 1.435,1265 0.603,1266 1.469,1267 1.158,1268 1.11,1269 1.373,1270 1.418,1271 0.52,1272 1.373,1273 0.98,1274 0.913,1275 1.286,1276 1.282,1277 0.433,1278 1.269,1279 4.174,1281 5.549,1282 2.398,1283 7.109,1284 4.727,1285 8.754,1286 6.843,1287 10.444,1289 3.417,1291 39.67,1295 1.977,1297 5.537,1299 0.031,1300 5.079,1301 -4.408,1305 31.933,1306 88.761,1307 189.815,1308 247.173,1309 257.928,1310 259.928,1311 259.928,1312 65.704,1313 7.868,1314 51.77,1315 51.77,1316 23,1317 12.784,1318 3.459,1319 3,1320 44.603,1321 111,1322 100,1323 0.198,1324 191.316,1325 355.53,1326 458.571,1327 28419,1328 6,1329 20.759,1330 0.716,1331 0.555,1332 18.259,1333 16.109,1334 13.736,1335 0.429,1336 0.292,1337 9.127,1338 12.891,1339 8.934,1340 7.312,1341 12.525,1342 9.346,1343 13.664,1344 0.285,1345 0.151,1346 11.669,1347 7.264,1348 10.836,1349 0.172,1350 0.083,1351 10.131,1352 5.23,1353 9.34,1354 0.111,1355 0.044,1356 8.357,1357 3.681,1358 7.245,1359 0.07,1360 0.023,1361 6.676,1362 2.387,1363 0.307,1364 88.248,1365 0.22,1366 27.153,1367 0.556,1368 160,1369 664.385,1370 192.627,1371 550.582,1372 724.47,1373 512,1374 191,1375 514.858,1376 218.421,1377 496.838,1378 754.85,1379 466,1380 5.699}
{0 CHEMBL1957870,1 1.775,2 10.31,3 3.232,4 10.444,5 102.809,6 8.129,7 0.188,8 4.041,9 4.156,10 3.672,11 3.502,12 5.17,13 3.525,14 4.645,15 4.821,16 4.148,17 3.906,18 6.182,19 3.925,20 4.833,21 5.019,22 4.141,23 4.077,24 5.983,25 4.059,26 4.955,27 5.174,28 4.146,29 4.099,30 6.191,31 4.06,32 4.983,33 5.238,34 4.028,35 4.004,36 6.15,37 3.963,38 4.835,39 5.064,40 3.954,41 3.911,42 6.041,43 3.893,44 4.713,45 4.912,46 3.948,47 3.883,48 5.952,49 3.856,50 4.731,51 4.964,52 3.895,53 3.768,54 6.084,55 3.742,56 0.169,57 0.961,58 8.842,59 4.48,60 23,61 5.372,62 1.083,63 1.837,64 21.32,65 7.482,66 140.703,67 9.172,68 0.709,69 1.745,70 25.282,71 9.269,72 54.076,73 11.861,74 0.888,75 1.985,76 30.439,77 10.677,78 77.321,79 13.735,80 1.133,81 1.874,82 35.98,83 10.704,84 141.641,85 13.866,86 1.177,87 1.542,88 29.783,89 7.867,90 118.259,91 10.174,92 0.725,93 1.478,94 23.011,95 7.957,96 56.048,97 10.364,98 1.012,99 1.506,100 26.811,101 8.118,102 92.355,103 10.627,104 38,105 48,106 0.301,107 0.643,108 0.837,109 0.873,110 0.88,111 0.88,112 3.409,113 0.876,114 -5.09,115 -4.98,116 -4.67,119 40,120 2,125 4,127 1,132 1,135 1,137 2,139 1,142 3,143 3,158 1,159 1,172 7,174 5,175 6,183 8,186 1,187 3,195 5,198 5,199 6,207 1,211 1,212 7,220 1,224 8,232 1,236 3,237 9,245 2,250 6,258 3,263 3,271 2,275 1293,276 18.919,277 18.919,278 18.919,279 18.919,280 18.919,281 17.527,282 27.119,283 10.735,284 19.662,285 15.783,286 15.783,287 15.783,288 15.783,289 15.783,290 13.486,291 35.105,292 5.084,293 17.068,294 3.869,295 1.848,296 0.7,297 0.485,298 0.445,299 0.445,300 4.098,304 1,305 1,306 641,307 3.464,310 62.388,311 253.812,314 113.234,318 1.631,319 49.755,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 66.5,331 299,332 4.582,333 4.472,334 7.265,335 4.288,336 3.394,337 4.121,338 3.825,339 12.291,340 3.105,341 4.455,342 3.795,343 6.725,344 4.125,345 3.202,346 3.814,347 1.443,348 10.952,349 2.958,350 3.977,351 3.238,352 6.14,353 3.729,354 2.81,355 3.181,356 1.074,357 9.062,358 2.571,359 3.871,360 3.166,361 6.059,362 3.6,363 2.668,364 3.049,365 0.88,366 8.608,367 2.437,368 3.552,369 2.965,370 5.596,371 3.248,372 2.297,373 2.688,374 0.86,375 7.139,376 2.166,377 3.322,378 2.655,379 5.05,380 3.098,381 2.171,382 2.355,383 0.68,384 6.072,385 1.998,386 2.961,387 2.169,388 4.801,389 2.567,390 1.622,391 2.079,392 0.249,393 4.945,394 1.495,395 2.868,396 1.834,397 4.409,398 2.414,399 1.472,400 1.989,401 0.136,402 4.054,403 1.414,404 2.848,405 1.735,406 4.336,407 2.407,408 1.414,409 1.824,411 3.834,412 1.372,413 2.533,414 1.566,415 3.874,416 2.22,417 1.279,418 1.49,420 3.171,421 1.193,422 2.398,423 1.512,424 3.674,425 2.079,426 1.155,427 1.287,428 2.627,429 1.057,430 2.128,431 1.329,432 3.465,433 1.84,434 0.896,435 1.075,436 2.273,437 0.839,438 1.559,439 0.755,440 3.16,441 1.216,442 0.241,443 0.274,445 0.626,446 0.234,447 1.31,448 0.51,449 2.792,450 0.784,451 -0.204,452 -0.272,454 -0.516,455 -0.197,456 0.907,457 0.51,458 2.706,459 0.578,460 -0.398,461 -0.406,463 -0.889,464 -0.368,465 13.124,466 0.453,467 1.022,468 0.035,469 31.75,470 1.095,471 11.5,472 0.397,473 20.25,474 0.698,475 27.936,476 0.963,477 33.076,478 0.662,479 27.981,480 0.965,481 6.617,482 0.228,483 7.119,484 0.245,485 0.167,486 0.038,487 0.358,490 3,493 0.619,494 1.227,495 0.648,496 1.254,497 0.561,498 1.038,499 0.586,500 0.701,501 0.705,502 0.836,503 0.367,504 0.816,505 0.785,506 0.967,507 0.897,508 1.055,509 0.565,510 1.032,511 0.779,512 1.051,513 0.971,514 1.141,515 0.786,516 1.131,517 1.074,518 1.061,519 0.996,520 0.941,521 1.103,522 0.928,523 1.187,524 0.719,525 1.171,526 0.714,527 1.223,528 0.858,529 0.741,530 0.96,531 0.972,532 1.121,533 0.713,534 1.126,535 0.907,536 0.798,537 0.936,538 0.958,539 1.013,540 0.966,541 7.5,542 0.202,543 4.222,544 2.632,545 2.018,546 1.09,547 0.713,548 0.608,549 0.406,550 0.279,551 10139,552 33984,553 2.041,554 42,555 3,556 13,557 2,561 3,564 1.722,565 1.861,566 3.36,567 -0.683,568 1,569 1,573 88.761,574 1.775,575 3.796,576 4.943,577 5.159,578 5.199,579 5.199,580 2.748,581 4.392,582 4.832,583 3.537,584 1435.85,585 8.428,586 19013.8,588 1,590 1,591 282.193,592 1.694,593 4.757,594 0.234,595 0.009,596 0.088,597 0.054,598 0.044,599 0.027,600 0.018,601 0.016,602 0.012,603 0.012,604 0.513,605 0.5,606 1,607 0.805,608 145.847,609 -0.038,610 -0.237,611 0.055,612 -0.16,613 -0.07,614 -0.054,615 0.296,616 0.307,617 0.168,618 0.147,619 0.384,620 0.115,621 -0.087,622 -0.145,623 -0.051,624 -0.064,625 -0.002,626 -0.052,627 -0.008,628 -0.132,629 -0.064,630 -0.166,631 -0.001,632 -0.147,633 -0.115,634 -0.084,635 0.022,636 0.023,637 -0.111,638 0.069,639 -0.193,640 0.213,641 -0.191,642 0.191,643 -0.206,644 0.06,645 -0.004,646 -0.137,647 -0.096,648 -0.162,649 0.004,650 -0.161,651 0.087,652 0.14,653 0.064,654 -0.002,655 0.03,656 0.007,657 5.658,658 5.545,659 0.724,660 25.365,661 1.029,662 1.152,663 3.858,664 14.881,665 0.647,666 3.497,667 3.892,668 4.159,669 4.443,670 4.654,671 4.754,672 4.949,673 5.088,674 5.193,675 5.298,676 6.375,677 0.639,678 406.45,679 3.497,680 5.081,681 5.948,682 6.86,683 7.744,684 8.655,685 9.548,686 10.459,687 11.356,688 12.267,689 8,692 2,696 1,698 1,704 3,709 3,711 6,731 50,733 10,734 1,735 32,737 53,738 20,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 3,755 1,757 1,758 1,761 12,762 8,766 4,771 1,773 3,774 1,775 3,778 1,779 3,781 21,782 9,784 9,790 4,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 2,839 1,840 3,844 2,846 3,848 29,854 4,856 1,858 1,859 3,860 1,869 3,870 4,873 1,874 1,877 15.583,878 9.645,879 6.083,880 3,881 2.238,882 1.284,883 0.986,884 5.176,885 10.106,886 3.689,887 4.241,888 4.751,889 5.262,890 5.7,891 5.937,892 6.269,893 6.55,894 6.816,895 7.103,896 0.857,897 49,898 11.233,900 5.331,901 8.193,902 20.003,904 16.708,905 2.693,906 78.083,909 1,910 247.193,911 110.808,912 26.158,914 36.145,915 44.88,917 110.808,918 283.338,919 71.039,920 17.65,921 32.129,922 37.905,923 40.849,924 79.799,925 25.441,926 223.651,927 7.76,928 247.193,929 136.966,930 81.025,933 211.88,934 105.339,935 11,937 62.478,938 65.012,939 9.476,941 292.073,942 62.303,943 110.808,946 254.953,947 29.398,948 83.023,950 97.811,951 247.193,952 107.184,953 110.808,955 0.604,956 0.348,957 0.185,958 0.097,959 25,960 12,961 0.057,962 3,963 1,964 1.095,965 3.887,966 266.679,967 0.095,968 21,969 136.127,974 19.994,975 7.508,976 3.918,978 107.184,979 4.136,984 0.046,987 465.184,988 39,993 12.545,995 4.722,996 4.625,997 0.706,999 51.436,1000 57.583,1001 0.315,1002 0.673,1003 0.876,1004 0.914,1005 0.921,1006 0.921,1007 5.001,1008 1.472,1009 5.999,1010 4.945,1011 4.575,1012 4.927,1013 3.417,1014 6.889,1015 4.429,1016 6.223,1017 1.414,1018 7.618,1019 4.054,1020 4.443,1021 4.832,1022 3.943,1023 8.076,1024 4.151,1025 7.555,1026 1.279,1027 9.345,1028 3.834,1029 6.293,1030 7.019,1031 5.467,1032 11.134,1033 5.986,1034 8.917,1035 1.155,1036 11.134,1037 3.171,1038 6.929,1039 7.689,1040 6.696,1041 13.101,1042 6.477,1043 10.312,1044 0.896,1045 12.963,1046 2.627,1047 8.334,1048 9.424,1049 8.063,1050 15.752,1051 7.847,1052 11.729,1053 0.241,1054 14.82,1055 2.273,1056 9.289,1057 10.452,1058 9.389,1059 18.022,1060 8.678,1061 13.163,1062 -0.204,1063 16.697,1064 0.626,1065 10.544,1066 12.003,1067 10.735,1068 20.55,1069 9.875,1070 3.394,1071 -0.398,1072 18.59,1073 -0.516,1074 11.634,1075 13.208,1076 12.074,1077 22.943,1078 10.857,1079 3.202,1080 12.291,1081 20.495,1082 -0.889,1083 12.84,1084 14.676,1085 13.417,1086 25.436,1087 11.991,1088 2.81,1089 10.952,1090 22.41,1091 4.121,1092 13.988,1093 15.972,1094 14.758,1095 27.882,1096 13.042,1097 2.668,1098 9.062,1099 24.334,1100 3.814,1101 15.182,1102 17.402,1103 16.1,1104 30.367,1105 14.156,1106 2.297,1107 8.608,1108 26.265,1109 3.181,1110 16.356,1111 18.746,1112 17.441,1113 32.838,1114 15.239,1115 2.171,1116 7.139,1117 28.201,1118 3.049,1119 17.55,1120 20.16,1121 18.783,1122 35.325,1123 16.348,1124 1.622,1125 6.072,1126 30.143,1127 2.688,1128 18.738,1129 21.529,1130 20.124,1131 37.808,1132 17.447,1133 9775,1134 18082,1135 20.69,1136 32.358,1137 50.605,1138 49.805,1139 51.107,1140 49.45,1141 49.24,1142 58.452,1143 18.294,1144 151.308,1145 45.676,1146 5.582,1147 6.472,1148 6.817,1149 5.393,1150 5.394,1151 7.121,1152 5.335,1153 20.012,1154 5.105,1155 17.094,1156 1.581,1157 1.556,1158 1.597,1159 1.545,1160 1.539,1161 1.827,1162 0.572,1163 4.728,1164 1.427,1165 4.025,1166 4.067,1167 3.984,1168 3.924,1169 8.513,1170 3.928,1171 3.911,1172 3.948,1173 3.874,1174 3.745,1175 7.999,1176 3.774,1177 3.758,1178 3.812,1179 3.659,1180 3.551,1181 7.999,1182 3.569,1183 3.438,1184 3.484,1185 3.395,1186 3.266,1187 7.429,1188 3.278,1189 3.319,1190 3.378,1191 3.28,1192 3.092,1193 4.832,1194 3.105,1195 3.249,1196 3.321,1197 3.055,1198 3.055,1199 4.668,1200 3.053,1201 3.171,1202 3.256,1203 2.979,1204 3.027,1205 4.615,1206 3.006,1207 3.038,1208 3.111,1209 2.924,1210 2.756,1211 4.257,1212 2.787,1213 0.143,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.582,1219 0.129,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.288,1225 0.097,1226 3.394,1227 4.121,1228 3.825,1229 12.291,1230 3.105,1231 1.951,1232 1.928,1233 2.053,1234 2.046,1235 1.245,1236 2.045,1237 1.798,1238 1.75,1239 1.967,1240 2.014,1241 1.237,1242 2,1243 1.595,1244 1.553,1245 1.726,1246 1.823,1247 0.907,1248 1.793,1249 1.465,1250 1.406,1251 1.641,1252 1.675,1253 0.799,1254 1.663,1255 1.299,1256 1.215,1257 1.616,1258 1.524,1259 0.751,1260 1.565,1261 1.21,1262 1.133,1263 1.552,1264 1.435,1265 0.603,1266 1.469,1267 1.158,1268 1.11,1269 1.373,1270 1.418,1271 0.52,1272 1.373,1273 0.98,1274 0.913,1275 1.286,1276 1.282,1277 0.433,1278 1.269,1279 4.174,1281 5.549,1282 2.398,1283 7.109,1284 4.727,1285 8.754,1286 6.843,1287 10.444,1289 3.417,1291 39.67,1295 1.977,1297 5.537,1299 0.031,1300 5.079,1301 -4.408,1305 31.933,1306 88.761,1307 189.815,1308 247.173,1309 257.928,1310 259.928,1311 259.928,1312 65.704,1313 7.868,1314 51.77,1315 51.77,1316 23,1317 12.784,1318 3.459,1319 3,1320 44.603,1321 111,1322 100,1323 0.198,1324 191.316,1325 355.53,1326 458.571,1327 28419,1328 6,1329 20.759,1330 0.716,1331 0.555,1332 18.259,1333 16.109,1334 13.736,1335 0.429,1336 0.292,1337 9.127,1338 12.891,1339 8.934,1340 7.312,1341 12.525,1342 9.346,1343 13.664,1344 0.285,1345 0.151,1346 11.669,1347 7.264,1348 10.836,1349 0.172,1350 0.083,1351 10.131,1352 5.23,1353 9.34,1354 0.111,1355 0.044,1356 8.357,1357 3.681,1358 7.245,1359 0.07,1360 0.023,1361 6.676,1362 2.387,1363 0.307,1364 88.248,1365 0.22,1366 27.153,1367 0.556,1368 160,1369 664.385,1370 192.627,1371 550.582,1372 724.47,1373 512,1374 191,1375 514.858,1376 218.421,1377 496.838,1378 754.85,1379 466,1380 6.398}
{0 CHEMBL1957871,1 1.828,2 10.111,3 2.244,4 5.035,5 102.948,6 9.096,7 0.2,8 3.949,9 4.049,10 3.679,11 3.46,12 5.073,13 3.467,14 4.511,15 4.664,16 4.096,17 3.878,18 5.623,19 3.867,20 4.765,21 4.942,22 4.299,23 4.05,24 5.91,25 3.997,26 4.791,27 4.999,28 4.087,29 4.002,30 5.91,31 3.922,32 4.711,33 4.926,34 3.992,35 3.911,36 5.758,37 3.84,38 4.673,39 4.869,40 4.07,41 3.868,42 5.862,43 3.837,44 4.58,45 4.755,46 4.008,47 3.827,48 5.793,49 3.768,50 4.527,51 4.738,52 3.872,53 3.693,54 5.787,55 3.612,56 0.146,57 0.673,58 6.645,59 3.786,60 13.409,61 4.391,62 0.51,63 1.094,64 15.926,65 6.451,66 30.134,67 7.502,68 0.781,69 1.276,70 29.538,71 9.071,72 58.015,73 10.806,74 0.839,75 1.28,76 31.816,77 9.306,78 64.529,79 11.823,80 0.621,81 1.183,82 29.273,83 8.953,84 55.535,85 11.574,86 0.777,87 1.127,88 25.327,89 7.307,90 70.365,91 8.629,92 0.688,93 1.011,94 22.533,95 7.442,96 54.521,97 9.025,98 0.713,99 0.885,100 24.299,101 7.666,102 75.89,103 9.679,104 18,105 43,106 0.316,107 0.687,108 0.847,109 0.911,110 0.911,111 0.911,112 3.341,113 0.931,114 -4.26,115 -4.2,116 -3.97,119 40,125 5,127 1,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 5,183 4,186 1,187 1,190 1,195 6,198 5,199 5,202 1,207 2,211 1,212 5,224 6,227 1,229 1,232 1,236 3,237 6,245 1,250 4,253 3,258 2,263 5,271 2,275 1107,276 18.317,277 18.317,278 18.317,279 18.317,280 18.317,281 16.834,282 23.881,283 10.547,284 19.022,285 14.716,286 14.716,287 14.716,288 14.716,289 14.716,290 12.367,291 30.494,292 4.908,293 16.046,294 3.664,295 1.518,296 0.595,297 0.222,298 0.222,299 0.222,300 4.036,301 2,304 1,305 1,306 591,307 2.646,310 57.265,311 230.814,314 102.909,318 1.605,319 33.401,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.667,331 273,332 4.468,333 3.796,334 6.728,335 4.135,336 3.21,337 3.988,338 1.443,339 10.962,340 2.973,341 4.31,342 3.438,343 6.343,344 3.864,345 2.949,346 3.808,347 1.074,348 9.46,349 2.679,350 3.934,351 3.202,352 6.133,353 3.71,354 2.795,355 3.092,356 0.88,357 9.038,358 2.547,359 3.586,360 3.143,361 5.624,362 3.311,363 2.371,364 2.722,365 0.86,366 7.272,367 2.211,368 3.391,369 2.73,370 5.281,371 3.17,372 2.24,373 2.509,374 0.68,375 6.678,376 2.066,377 3.275,378 2.505,379 5.02,380 2.832,381 1.906,382 2.429,383 0.249,384 5.591,385 1.686,386 2.897,387 2.042,388 4.428,389 2.451,390 1.519,391 2.029,392 0.136,393 4.187,394 1.411,395 2.866,396 1.863,397 4.394,398 2.36,399 1.414,400 1.861,402 3.921,403 1.286,404 2.581,405 1.738,406 3.869,407 2.253,408 1.321,409 1.534,411 3.179,412 1.215,413 2.426,414 1.675,415 3.685,416 2.087,417 1.169,418 1.318,420 2.661,421 1.063,422 2.137,423 1.331,424 3.473,425 1.843,426 0.901,427 1.079,428 2.276,429 0.84,430 1.584,431 1.149,432 3.064,433 1.29,434 0.428,435 0.429,436 0.864,437 0.365,438 1.428,439 1.045,440 2.743,441 1.163,442 0.36,443 0.394,445 0.621,446 0.235,447 1.395,448 0.554,449 2.675,450 0.763,451 -0.119,452 -0.152,454 -0.29,455 -0.094,456 1.049,457 0.149,458 2.562,459 0.605,460 -0.335,461 -0.462,463 -0.844,464 -0.302,465 13.029,466 0.483,467 0.695,468 0.026,469 30.75,470 1.139,471 11.5,472 0.426,473 19.25,474 0.713,475 24.924,476 0.923,477 29.571,478 0.657,479 23.782,480 0.881,481 6.354,482 0.235,483 6.709,484 0.248,485 0.161,487 0.361,493 0.81,494 1.611,495 0.54,496 1.014,497 0.686,498 0.896,499 0.985,500 0.997,501 0.67,502 0.754,503 0.725,504 0.805,505 0.998,506 1.169,507 0.774,508 0.864,509 0.789,510 0.92,511 0.87,512 0.914,513 1.024,514 0.966,515 0.95,516 1.025,517 0.834,518 1.166,519 0.869,520 1.032,521 0.892,522 0.993,523 1.284,524 0.897,525 0.851,526 0.727,527 1.445,528 0.807,529 0.94,530 1.074,531 0.947,532 1.049,533 1.173,534 1.082,535 0.775,536 0.857,537 0.782,538 0.924,539 0.933,540 0.943,541 5.5,542 0.099,543 3.556,544 1.882,545 1.76,546 0.91,547 0.59,548 0.518,549 0.283,550 0.165,551 8521,552 29176,553 2.097,554 40,556 15,557 2,559 1,564 1.704,565 1.952,566 3.333,567 -0.236,568 1,569 1,573 82.261,574 1.828,575 3.974,576 4.897,577 5.27,578 5.27,579 5.27,580 2.732,581 4.607,582 4.727,583 3.472,584 1218.76,585 8.221,586 15316.1,588 1,590 1,591 247.133,592 1.447,593 4.681,594 0.183,595 0.007,596 0.083,597 0.042,598 0.045,599 0.025,600 0.016,601 0.015,602 0.01,603 0.008,604 0.433,605 0.17,606 1,607 0.76,608 132.509,609 -0.095,610 -0.392,611 0.014,612 -0.115,613 -0.073,614 -0.037,615 -0.084,616 0.169,617 0.003,618 0.123,619 -0.05,620 0.056,621 -0.039,622 -0.129,623 0.091,624 0.078,625 0.022,626 0.015,627 0.014,628 0.118,629 -0.102,630 -0.028,631 -0.041,632 -0.068,633 -0.016,634 -0.175,635 0.001,636 -0.08,637 -0.051,638 -0.001,639 -0.213,640 0.157,641 -0.018,642 0.165,643 -0.175,644 0.092,645 0.046,646 -0.044,647 -0.061,648 -0.104,649 -0.04,650 -0.148,651 0.208,652 0.071,653 0.134,654 0.051,655 0.246,656 0.064,657 1.835,658 5.535,659 0.778,660 23.259,661 1.025,662 1.13,663 3.034,664 9.203,665 0.693,666 3.434,667 3.784,668 4.094,669 4.357,670 4.595,671 4.71,672 4.875,673 5.03,674 5.136,675 5.204,676 6.081,677 0.669,678 409.3,679 3.434,680 4.99,681 5.861,682 6.751,683 7.638,684 8.534,685 9.427,686 10.326,687 11.224,688 12.126,689 8.9,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 45,733 10,734 1,735 30,737 48,738 18,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,752 1,755 1,758 1,761 12,762 6,766 4,771 1,773 3,774 1,775 3,778 1,781 18,782 7,783 1,784 9,785 2,790 4,794 0.75,795 3,796 1,811 1,812 3,815 1,827 1,831 1,836 2,838 1,839 1,840 3,845 2,848 27,853 1,854 5,856 1,858 1,859 3,869 2,870 6.7,871 1,873 1,874 1,877 13.833,878 7.952,879 5.917,880 2.585,881 2.176,882 1.282,883 0.966,884 5.433,885 9.895,886 3.638,887 4.167,888 4.689,889 5.175,890 5.617,891 5.849,892 6.133,893 6.463,894 6.754,895 6.979,896 0.857,897 45,898 9.999,900 4.358,901 7.891,902 18.845,904 15.711,905 2.391,906 64.556,910 200.109,911 86.028,912 26.158,913 78.297,914 78.828,917 86.028,918 357.234,919 26.158,921 32.129,922 80.588,923 40.849,924 35.549,925 25.441,926 176.567,927 78.297,928 200.109,929 112.186,930 78.828,931 78.297,933 200.109,934 25.145,935 53.683,937 37.068,938 65.642,939 87.774,941 200.109,942 104.987,943 164.325,946 200.109,947 30.028,948 65.373,950 173.911,951 200.109,952 104.987,953 164.325,955 0.588,956 0.358,957 0.187,958 0.101,959 22,960 10,961 0.083,962 4,963 1,964 1.095,965 3.813,966 239.61,967 0.095,968 21,969 126.382,974 18.776,975 7.812,976 3.726,978 104.987,979 5.46,984 1.817,986 42.683,987 469.42,988 37,993 12.535,995 4.979,996 4.675,997 0.914,999 46.105,1000 50.831,1001 0.333,1002 0.724,1003 0.892,1004 0.96,1005 0.96,1006 0.96,1007 4.916,1008 1.414,1009 5.861,1010 4.187,1011 4.466,1012 4.852,1013 2.363,1014 6.701,1015 4.298,1016 6.105,1017 1.321,1018 7.442,1019 3.921,1020 4.111,1021 4.62,1022 1.104,1023 7.642,1024 3.816,1025 7.411,1026 1.169,1027 9.122,1028 3.179,1029 6.094,1030 6.915,1031 2.46,1032 10.752,1033 5.769,1034 8.747,1035 0.901,1036 10.858,1037 2.661,1038 6.553,1039 7.494,1040 1.822,1041 12.498,1042 6.093,1043 10.116,1044 0.428,1045 12.628,1046 2.276,1047 8.009,1048 9.281,1049 2.786,1050 15.126,1051 7.519,1052 11.507,1053 0.36,1054 14.423,1055 0.864,1056 8.834,1057 10.244,1058 2.537,1059 17.21,1060 8.221,1061 12.916,1062 -0.119,1063 16.235,1064 0.621,1065 10.088,1066 11.817,1067 3.27,1068 19.669,1069 9.428,1070 3.21,1071 -0.335,1072 18.059,1073 -0.29,1074 11.079,1075 12.972,1076 3.269,1077 21.906,1078 10.313,1079 2.949,1080 10.962,1081 19.894,1082 -0.844,1083 12.255,1084 14.445,1085 3.856,1086 24.303,1087 11.429,1088 2.795,1089 9.46,1090 21.737,1091 3.988,1092 13.324,1093 15.699,1094 4.008,1095 26.611,1096 12.404,1097 2.371,1098 9.038,1099 23.587,1100 3.808,1101 14.471,1102 17.122,1103 4.507,1104 28.989,1105 13.485,1106 2.24,1107 7.272,1108 25.442,1109 3.092,1110 15.577,1111 18.428,1112 4.747,1113 31.332,1114 14.505,1115 1.906,1116 6.678,1117 27.302,1118 2.722,1119 16.717,1120 19.826,1121 5.193,1122 33.707,1123 15.574,1124 1.519,1125 5.591,1126 29.166,1127 2.509,1128 17.842,1129 21.16,1130 5.486,1131 36.068,1132 16.618,1133 8157,1134 15212,1135 19.997,1136 31.193,1137 46.024,1138 47.651,1139 47.279,1140 45.279,1141 45.17,1142 54.384,1143 10.643,1144 133.418,1145 41.151,1146 5.468,1147 5.796,1148 6.317,1149 5.241,1150 5.21,1151 6.988,1152 2.571,1153 18.15,1154 4.973,1155 13.399,1156 1.534,1157 1.588,1158 1.576,1159 1.509,1160 1.506,1161 1.813,1162 0.355,1163 4.447,1164 1.372,1165 4.005,1166 4.049,1167 4.128,1168 3.901,1169 7.429,1170 3.898,1171 3.881,1172 3.907,1173 3.921,1174 3.741,1175 6.456,1176 3.766,1177 3.757,1178 3.804,1179 3.671,1180 3.549,1181 5.038,1182 3.57,1183 3.423,1184 3.467,1185 3.436,1186 3.26,1187 4.81,1188 3.271,1189 3.286,1190 3.349,1191 3.343,1192 3.085,1193 4.584,1194 3.076,1195 3.102,1196 3.166,1197 3.243,1198 2.971,1199 4.487,1200 2.957,1201 2.95,1202 3.014,1203 3.113,1204 2.837,1205 4.294,1206 2.806,1207 2.899,1208 2.917,1209 2.94,1210 2.669,1211 4.229,1212 2.703,1213 0.149,1214 0.127,1215 0.224,1216 0.138,1217 0.107,1218 4.468,1219 0.133,1220 3.796,1221 0.048,1222 6.728,1223 0.365,1224 4.135,1225 0.099,1226 3.21,1227 3.988,1228 1.443,1229 10.962,1230 2.973,1231 1.901,1232 1.883,1233 1.974,1234 2.025,1235 1.247,1236 2.006,1237 1.795,1238 1.749,1239 1.951,1240 1.966,1241 1.163,1242 1.977,1243 1.59,1244 1.552,1245 1.706,1246 1.822,1247 0.91,1248 1.788,1249 1.452,1250 1.394,1251 1.622,1252 1.646,1253 0.766,1254 1.645,1255 1.287,1256 1.217,1257 1.589,1258 1.543,1259 0.738,1260 1.557,1261 1.113,1262 1.056,1263 1.361,1264 1.309,1265 0.506,1266 1.329,1267 0.895,1268 0.827,1269 1.256,1270 1.194,1271 0.413,1272 1.219,1273 0.847,1274 0.815,1275 0.971,1276 0.995,1277 0.108,1278 0.992,1279 4.111,1281 5.451,1282 2.398,1283 6.991,1284 4.727,1285 8.621,1286 6.843,1287 10.296,1290 12.398,1294 9.34,1295 1.945,1297 5.474,1299 -0.281,1300 5.299,1305 30.099,1306 82.261,1307 178.815,1308 220.379,1309 237.133,1310 237.133,1311 237.133,1312 48.987,1313 7.719,1314 72,1315 72,1316 23,1317 12.648,1318 3.459,1319 3,1320 40.079,1321 97,1322 101,1323 0.202,1324 189.199,1325 341.93,1326 453.405,1327 23643,1328 4.4,1329 18.966,1330 0.702,1331 0.589,1332 19.966,1333 15.897,1334 13.063,1335 0.435,1336 0.31,1337 8.449,1338 11.89,1339 8.266,1340 6.715,1341 13.64,1342 9.31,1343 11.838,1344 0.275,1345 0.167,1346 12.542,1347 7.168,1348 10.555,1349 0.179,1350 0.093,1351 11.566,1352 5.469,1353 8.579,1354 0.111,1355 0.047,1356 9.052,1357 3.581,1358 6.909,1359 0.071,1360 0.024,1361 7.261,1362 2.385,1363 0.311,1364 89.016,1365 0.224,1366 25.602,1367 0.569,1368 146,1369 476.608,1370 194.088,1371 507.863,1372 668.87,1373 474,1374 175,1375 439.099,1376 222.898,1377 458.173,1378 681.58,1379 431,1380 6}
{0 CHEMBL1957872,1 1.763,2 10.214,3 2.955,4 8.733,5 101.208,6 8.465,7 0.194,8 3.962,9 4.066,10 3.627,11 3.471,12 5.129,13 3.493,14 4.547,15 4.703,16 4.092,17 3.871,18 6.149,19 3.887,20 4.7,21 4.87,22 4.08,23 4.021,24 5.902,25 4.004,26 4.828,27 5.027,28 4.089,29 4.011,30 6.129,31 3.989,32 4.865,33 5.11,34 3.966,35 3.914,36 6.097,37 3.89,38 4.701,39 4.91,40 3.894,41 3.829,42 5.957,43 3.817,44 4.603,45 4.795,46 3.858,47 3.793,48 5.88,49 3.774,50 4.584,51 4.802,52 3.803,53 3.684,54 5.98,55 3.65,56 0.168,57 0.893,58 7.201,59 4.289,60 25.507,61 4.72,62 1.023,63 1.763,64 17.72,65 7.276,66 139.868,67 8.129,68 0.532,69 1.627,70 19.79,71 8.863,72 52.619,73 10.568,74 0.767,75 1.862,76 24.674,77 9.678,78 78.847,79 11.509,80 1.108,81 1.794,82 31.448,83 9.922,84 144.73,85 11.767,86 1.044,87 1.473,88 24.526,89 7.661,90 117.314,91 8.788,92 0.733,93 1.367,94 19.703,95 7.137,96 60.914,97 8.504,98 0.846,99 1.429,100 21.82,101 8.022,102 81.367,103 9.896,104 27,105 46,106 0.302,107 0.671,108 0.849,109 0.874,110 0.882,111 0.882,112 3.375,113 0.857,114 -4.7,115 -4.62,116 -4.34,119 43.5,120 1,121 1,125 3,132 1,135 2,136 1,137 2,138 1,142 3,143 3,158 1,159 1,172 9,174 4,175 7,183 10,187 5,195 7,198 2,199 9,207 1,211 1,212 12,224 7,232 2,236 3,237 4,245 6,250 3,258 10,263 2,271 8,275 1178,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 16.833,282 25.181,283 10.612,284 19.105,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 12.621,291 30.809,292 5.028,293 16.382,294 3.761,295 1.608,296 0.571,297 0.424,298 0.381,299 0.381,300 4.066,303 1,304 1,305 1,306 616,307 3.391,310 59.478,311 243.435,314 108.482,318 1.587,319 48.854,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 286,332 4.582,333 4.472,334 7.265,335 4.288,336 3.394,337 4.121,338 3.825,339 12.291,340 3.106,341 4.474,342 3.789,343 6.725,344 4.131,345 3.2,346 3.875,347 1.437,348 10.95,349 2.99,350 4.063,351 3.236,352 6.12,353 3.734,354 2.772,355 3.327,356 1.151,357 8.967,358 2.655,359 3.905,360 3.042,361 6.053,362 3.595,363 2.651,364 3.137,365 1.065,366 8.592,367 2.441,368 3.561,369 2.949,370 5.594,371 3.222,372 2.259,373 2.728,374 0.706,375 7.127,376 2.152,377 3.17,378 2.391,379 4.801,380 2.739,381 1.82,382 2.234,383 0.225,384 4.946,385 1.67,386 2.949,387 2.157,388 4.537,389 2.567,390 1.622,391 2.075,392 0.133,393 4.671,394 1.495,395 2.857,396 1.793,397 4.407,398 2.414,399 1.414,400 1.986,402 3.84,403 1.414,404 2.773,405 1.735,406 3.874,407 2.232,408 1.304,409 1.697,411 3.171,412 1.202,413 2.446,414 1.512,415 3.754,416 2.148,417 1.223,418 1.39,420 2.933,421 1.117,422 2.357,423 1.466,424 3.447,425 1.969,426 1,427 1.198,428 2.226,429 0.963,430 2.049,431 1.329,432 3.247,433 1.846,434 0.892,435 1.023,436 2.136,437 0.842,438 1.56,439 0.755,440 3.156,441 1.217,442 0.241,443 0.274,445 0.625,446 0.234,447 1.31,448 0.51,449 2.778,450 0.785,451 -0.204,452 -0.275,454 -0.516,455 -0.199,456 0.909,457 0.51,458 2.693,459 0.578,460 -0.413,461 -0.536,463 -1.094,464 -0.404,465 12.724,466 0.454,467 0.916,468 0.033,469 32,470 1.143,471 13,472 0.464,473 19,474 0.679,475 25.016,476 0.893,477 31.076,478 0.676,479 27.676,480 0.988,481 6.769,482 0.242,483 6.573,484 0.235,485 0.133,486 0.039,487 0.338,490 3,493 0.598,494 1.087,495 0.617,496 1.14,497 0.559,498 0.962,499 0.563,500 0.661,501 0.705,502 0.819,503 0.381,504 0.825,505 0.671,506 0.977,507 0.831,508 1.117,509 0.561,510 1.068,511 0.838,512 1.13,513 0.996,514 1.191,515 0.838,516 1.165,517 1.156,518 1.017,519 1.057,520 0.863,521 1.172,522 0.884,523 1.163,524 0.767,525 1.18,526 0.799,527 1.236,528 0.925,529 0.803,530 0.85,531 1.041,532 0.983,533 0.772,534 1.06,535 0.778,536 0.829,537 0.891,538 1.087,539 0.919,540 1.071,541 6.5,542 0.169,543 4,544 2.444,545 1.747,546 1.09,547 0.652,548 0.506,549 0.375,550 0.259,551 9296,552 32426,553 2.064,554 39.1,555 3,556 11,557 2,561 2,564 1.713,565 1.898,566 3.335,567 -0.707,568 1,569 1,573 81.077,574 1.763,575 3.916,576 4.953,577 5.099,578 5.143,579 5.143,580 2.751,581 4.423,582 4.782,583 3.499,584 1322.46,585 8.327,586 17027.8,588 1,590 1,591 254.084,592 1.656,593 4.716,594 0.21,595 0.008,596 0.087,597 0.052,598 0.04,599 0.028,600 0.018,601 0.014,602 0.012,603 0.011,604 0.48,605 0.5,606 1,607 0.787,608 139.052,609 -0.033,610 -0.159,611 0.046,612 -0.107,613 -0.07,614 -0.029,615 0.308,616 0.331,617 0.136,618 0.159,619 0.376,620 0.091,621 -0.05,622 -0.167,623 -0.023,624 -0.129,625 0.008,626 -0.087,627 -0.051,628 -0.207,629 -0.096,630 -0.229,631 -0.023,632 -0.196,633 -0.154,634 -0.014,635 -0.012,636 0.093,637 -0.14,638 0.112,639 -0.167,640 0.187,641 -0.21,642 0.128,643 -0.21,645 -0.042,646 -0.048,647 -0.157,648 -0.066,649 -0.034,650 -0.126,651 0.177,652 0.132,653 0.109,654 -0.091,655 0.067,656 -0.057,657 5.656,658 5.463,659 0.75,660 23.719,661 1.032,662 1.145,663 3.472,664 12.055,665 0.665,666 3.466,667 3.85,668 4.127,669 4.407,670 4.615,671 4.71,672 4.905,673 5.037,674 5.124,675 5.231,676 6.203,677 0.661,678 389.41,679 3.466,680 5.043,681 5.911,682 6.819,683 7.704,684 8.614,685 9.507,686 10.417,687 11.315,688 12.225,689 6.5,692 1,696 1,698 1,704 3,709 3,711 6,731 46,733 11,734 1,735 31,737 49,738 20,739 6,740 3,741 3,742 6,746 4,747 5,750 1,752 2,755 1,757 1,758 1,761 14,762 6,766 5,771 1,773 4,774 1,775 4,778 1,779 3,781 18,782 8,784 8,790 3,794 0.75,795 2,811 1,812 3,815 1,827 1,831 3,832 1,836 1,839 1,840 3,844 1,846 3,848 28,854 4,856 1,859 2,860 1,869 3,870 4.3,873 1,874 1,877 14.75,878 8.695,879 5.917,880 2.715,881 2.461,882 1.317,883 1.002,884 4.8,885 10.228,886 3.689,887 4.256,888 4.794,889 5.308,890 5.759,891 5.996,892 6.346,893 6.63,894 6.888,895 7.191,896 0.857,897 47,898 10.844,900 5.17,901 8.229,902 19.204,904 16.017,905 2.729,906 76.417,909 1,910 211.88,911 117.989,912 23.034,914 36.145,915 44.88,917 117.989,918 248.025,919 67.914,920 8.825,921 35.044,922 47.381,923 43.606,924 77.532,925 25.441,926 188.338,927 7.76,928 211.88,929 141.023,930 81.025,933 188.338,934 93.567,935 11,937 53.444,938 65.87,939 21.709,941 256.76,942 59.179,943 117.989,946 219.639,947 35.928,948 80.55,950 97.811,951 211.88,952 104.059,953 117.989,955 0.6,956 0.349,957 0.187,958 0.098,959 24,960 11,961 0.061,962 3,963 1,964 1.095,965 3.838,966 253.819,967 0.095,968 21,969 129.851,974 18.826,975 7.139,976 3.624,978 104.059,979 4.129,984 0.046,987 433.928,988 39,993 12.463,995 6.608,996 4.597,997 1.682,999 47.451,1000 52.67,1001 0.319,1002 0.709,1003 0.897,1004 0.923,1005 0.931,1006 0.931,1007 4.987,1008 1.414,1009 5.953,1010 4.671,1011 4.533,1012 4.942,1013 3.413,1014 6.843,1015 4.409,1016 6.217,1017 1.304,1018 7.571,1019 3.84,1020 4.369,1021 4.832,1022 3.936,1023 8.042,1024 4.109,1025 7.553,1026 1.223,1027 9.3,1028 3.171,1029 6.248,1030 7.069,1031 5.473,1032 11.104,1033 5.989,1034 8.924,1035 1,1036 11.093,1037 2.933,1038 6.878,1039 7.738,1040 6.696,1041 13.086,1042 6.482,1043 10.326,1044 0.892,1045 12.928,1046 2.226,1047 8.297,1048 9.497,1049 8.063,1050 15.737,1051 7.876,1052 11.75,1053 0.241,1054 14.791,1055 2.136,1056 9.254,1057 10.525,1058 9.389,1059 18.013,1060 8.713,1061 13.191,1062 -0.204,1063 16.673,1064 0.625,1065 10.515,1066 12.085,1067 10.735,1068 20.542,1069 9.924,1070 3.394,1071 -0.413,1072 18.57,1073 -0.516,1074 11.608,1075 13.29,1076 12.074,1077 22.937,1078 10.912,1079 3.2,1080 12.291,1081 20.479,1082 -1.094,1083 12.818,1084 14.76,1085 13.417,1086 25.431,1087 12.053,1088 2.772,1089 10.95,1090 22.397,1091 4.121,1092 13.968,1093 16.055,1094 14.758,1095 27.878,1096 13.108,1097 2.651,1098 8.967,1099 24.323,1100 3.875,1101 15.164,1102 17.486,1103 16.1,1104 30.364,1105 14.226,1106 2.259,1107 8.592,1108 26.256,1109 3.327,1110 16.341,1111 18.828,1112 17.441,1113 32.835,1114 15.311,1115 1.82,1116 7.127,1117 28.194,1118 3.137,1119 17.536,1120 20.241,1121 18.783,1122 35.323,1123 16.423,1124 1.622,1125 4.946,1126 30.137,1127 2.728,1128 18.725,1129 21.609,1130 20.124,1131 37.806,1132 17.523,1133 8921,1134 16818,1135 20.285,1136 30.591,1137 48.886,1138 48.048,1139 48.799,1140 47.794,1141 47.581,1142 58.131,1143 17.085,1144 144.95,1145 44.563,1146 5.509,1147 6.472,1148 7.067,1149 5.362,1150 5.394,1151 7.121,1152 5.335,1153 20.012,1154 5.106,1155 15.109,1156 1.577,1157 1.55,1158 1.574,1159 1.542,1160 1.535,1161 1.875,1162 0.551,1163 4.676,1164 1.438,1165 4.028,1166 4.066,1167 3.988,1168 3.928,1169 8.513,1170 3.933,1171 3.92,1172 3.949,1173 3.882,1174 3.807,1175 7.999,1176 3.82,1177 3.747,1178 3.79,1179 3.663,1180 3.572,1181 7.999,1182 3.592,1183 3.417,1184 3.458,1185 3.386,1186 3.229,1187 7.429,1188 3.245,1189 3.302,1190 3.346,1191 3.261,1192 3.062,1193 4.844,1194 3.094,1195 3.171,1196 3.257,1197 2.989,1198 3.029,1199 4.679,1200 3.007,1201 3.05,1202 3.132,1203 2.934,1204 2.874,1205 4.626,1206 2.849,1207 3.019,1208 3.098,1209 2.8,1210 2.754,1211 4.255,1212 2.782,1213 0.148,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.582,1219 0.133,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.288,1225 0.1,1226 3.394,1227 4.121,1228 3.825,1229 12.291,1230 3.106,1231 1.952,1232 1.928,1233 2.053,1234 2.044,1235 1.243,1236 2.045,1237 1.854,1238 1.826,1239 1.986,1240 1.999,1241 1.222,1242 1.993,1243 1.56,1244 1.521,1245 1.684,1246 1.793,1247 0.8,1248 1.761,1249 1.463,1250 1.404,1251 1.633,1252 1.675,1253 0.756,1254 1.663,1255 1.21,1256 1.133,1257 1.552,1258 1.436,1259 0.671,1260 1.469,1261 1.16,1262 1.114,1263 1.431,1264 1.418,1265 0.603,1266 1.373,1267 1.077,1268 0.993,1269 1.363,1270 1.3,1271 0.487,1272 1.345,1273 0.971,1274 0.909,1275 1.121,1276 1.258,1277 0.222,1278 1.246,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.843,1287 10.4,1289 1.46,1291 39.574,1295 1.887,1297 5.294,1300 3.083,1301 -4.406,1305 30.385,1306 81.077,1307 180.114,1308 227.819,1309 234.574,1310 236.574,1311 236.574,1312 61.327,1313 7.767,1314 48.53,1315 48.53,1316 23,1317 12.743,1318 3.585,1319 3.17,1320 42.326,1321 104,1322 101,1323 0.2,1324 181.594,1325 341.89,1326 434.85,1327 25072,1328 6.5,1329 19.889,1330 0.71,1331 0.541,1332 17.389,1333 15.162,1334 13.342,1335 0.43,1336 0.286,1337 8.663,1338 12.588,1339 8.51,1340 6.957,1341 12.131,1342 8.858,1343 13.03,1344 0.283,1345 0.146,1346 11.035,1347 6.717,1348 10.509,1349 0.172,1350 0.081,1351 9.804,1352 4.971,1353 9.037,1354 0.112,1355 0.042,1356 8.053,1357 3.428,1358 7.015,1359 0.07,1360 0.022,1361 6.447,1362 2.223,1363 0.31,1364 85.402,1365 0.222,1366 26.366,1367 0.563,1368 154,1369 650.74,1370 183.492,1371 540.021,1372 708.6,1373 502,1374 184,1375 498.132,1376 207.981,1377 483.209,1378 734.21,1379 453,1380 5.398}
{0 CHEMBL1957873,1 1.744,2 10.214,3 3.003,4 9.016,5 100.589,6 8.155,7 0.194,8 3.997,9 4.107,10 3.631,11 3.494,12 5.124,13 3.509,14 4.605,15 4.768,16 4.099,17 3.913,18 6.15,19 3.915,20 4.806,21 4.998,22 4.092,23 4.077,24 5.935,25 4.042,26 4.922,27 5.139,28 4.099,29 4.063,30 6.158,31 4.024,32 4.925,33 5.176,34 3.975,35 3.951,36 6.119,37 3.917,38 4.756,39 4.969,40 3.906,41 3.867,42 5.987,43 3.847,44 4.673,45 4.879,46 3.866,47 3.84,48 5.899,49 3.804,50 4.647,51 4.877,52 3.809,53 3.727,54 5.993,55 3.677,56 0.151,57 0.921,58 8.322,59 4.568,60 24.708,61 5.268,62 1.021,63 1.813,64 19.972,65 7.882,66 143.53,67 9.296,68 0.574,69 1.711,70 24.518,71 9.867,72 58.303,73 12.519,74 0.81,75 1.931,76 29.571,77 10.578,78 82.853,79 13.364,80 1.114,81 1.824,82 34.059,83 10.179,84 142.822,85 12.559,86 1.056,87 1.502,88 26.641,89 7.882,90 114.218,91 9.545,92 0.737,93 1.416,94 22.68,95 7.794,96 60.715,97 9.912,98 0.848,99 1.455,100 24.259,101 8.52,102 78.667,103 10.898,104 27,105 46,106 0.298,107 0.637,108 0.81,109 0.834,110 0.841,111 0.841,112 3.375,113 0.887,114 -4.78,115 -4.69,116 -4.41,119 41.7,120 1,121 2,122 1,125 3,132 1,135 1,137 2,138 1,142 3,143 3,158 1,159 1,172 9,174 4,175 7,183 10,187 5,195 7,198 2,199 9,207 1,211 1,212 12,224 7,232 2,236 3,237 4,245 6,250 3,258 10,263 2,271 8,275 1178,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 17.079,282 27.035,283 10.612,284 19.105,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 13.003,291 36.598,292 5.028,293 16.382,294 3.841,295 1.856,296 0.839,297 0.698,298 0.656,299 0.656,300 4.066,304 1,305 1,306 616,307 3.391,310 59.478,311 243.435,314 108.482,318 1.587,319 49.235,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64,331 286,332 4.582,333 4.472,334 7.265,335 4.288,336 3.394,337 4.121,338 3.825,339 12.291,340 3.106,341 4.454,342 3.797,343 6.725,344 4.131,345 3.2,346 3.813,347 1.445,348 10.95,349 2.99,350 3.968,351 3.237,352 6.12,353 3.734,354 2.772,355 3.179,356 1.073,357 8.967,358 2.655,359 3.857,360 3.085,361 6.053,362 3.595,363 2.651,364 3.039,365 0.86,366 8.592,367 2.441,368 3.535,369 2.95,370 5.594,371 3.222,372 2.259,373 2.676,374 0.763,375 7.127,376 2.152,377 3.059,378 2.353,379 4.801,380 2.739,381 1.82,382 2.094,383 0.452,384 4.946,385 1.67,386 2.944,387 2.159,388 4.537,389 2.567,390 1.622,391 2.053,392 0.143,393 4.671,394 1.495,395 2.857,396 1.735,397 4.407,398 2.414,399 1.414,400 1.983,402 3.84,403 1.414,404 2.764,405 1.731,406 3.874,407 2.232,408 1.304,409 1.694,411 3.171,412 1.202,413 2.437,414 1.512,415 3.754,416 2.148,417 1.223,418 1.37,420 2.933,421 1.117,422 2.208,423 1.25,424 3.447,425 1.969,426 1,427 1.1,428 2.226,429 0.963,430 2,431 1.2,432 3.247,433 1.846,434 0.892,435 1,436 2.136,437 0.842,438 1.558,439 0.755,440 3.156,441 1.217,442 0.241,443 0.274,445 0.625,446 0.234,447 1.31,448 0.51,449 2.778,450 0.785,451 -0.204,452 -0.274,454 -0.516,455 -0.199,456 0.907,457 0.51,458 2.693,459 0.578,460 -0.413,461 -0.536,463 -1.094,464 -0.404,465 12.724,466 0.454,467 0.916,468 0.033,469 30.5,470 1.089,471 11.5,472 0.411,473 19,474 0.679,475 26.722,476 0.954,477 31.676,478 0.66,479 25.97,480 0.927,481 6.193,482 0.221,483 7.149,484 0.255,485 0.133,486 0.039,487 0.338,490 3,493 0.594,494 1.121,495 0.643,496 1.185,497 0.549,498 1.004,499 0.545,500 0.693,501 0.731,502 0.885,503 0.368,504 0.887,505 0.658,506 0.944,507 0.833,508 1.092,509 0.528,510 1.053,511 0.816,512 1.086,513 0.967,514 1.147,515 0.791,516 1.121,517 1.162,518 1.006,519 1.055,520 0.853,521 1.181,522 0.877,523 1.187,524 0.781,525 1.205,526 0.825,527 1.252,528 0.955,529 0.763,530 0.849,531 1.004,532 0.994,533 0.73,534 1.056,535 0.745,536 0.828,537 0.862,538 1.08,539 0.881,540 1.053,541 6.5,542 0.169,543 4,544 2.444,545 1.747,546 1.09,547 0.652,548 0.506,549 0.375,550 0.259,551 9296,552 31161,553 2.064,554 41.7,555 3,556 10,557 2,561 5,564 1.713,565 1.898,566 3.335,567 -0.707,568 1,569 1,573 83.691,574 1.744,575 3.729,576 4.746,577 4.887,578 4.929,579 4.929,580 2.751,581 4.423,582 4.782,583 3.499,584 1322.46,585 8.327,586 17027.8,588 1,590 1,591 268.078,592 1.656,593 4.716,594 0.21,595 0.008,596 0.087,597 0.052,598 0.04,599 0.028,600 0.018,601 0.014,602 0.012,603 0.011,604 0.48,605 0.5,606 1,607 0.787,608 139.052,609 -0.029,610 -0.16,611 0.049,612 -0.105,613 -0.058,614 -0.026,615 0.31,616 0.306,617 0.122,618 0.119,619 0.378,620 0.057,621 -0.041,622 -0.151,623 0.005,624 -0.095,625 0.021,626 -0.048,627 -0.039,628 -0.19,629 -0.051,630 -0.182,631 -0.01,632 -0.138,633 -0.158,634 -0.012,635 -0.025,636 0.09,637 -0.143,638 0.097,639 -0.177,640 0.179,641 -0.241,642 0.099,643 -0.208,644 -0.039,645 -0.019,646 -0.053,647 -0.111,648 -0.063,649 -0.012,650 -0.102,651 0.185,652 0.122,653 0.127,654 -0.085,655 0.079,656 -0.039,657 5.649,658 5.49,659 0.75,660 23.719,661 1.028,662 1.148,663 3.55,664 12.599,665 0.653,666 3.466,667 3.85,668 4.127,669 4.407,670 4.615,671 4.71,672 4.905,673 5.037,674 5.124,675 5.231,676 6.203,677 0.644,678 391.43,679 3.466,680 5.043,681 5.911,682 6.819,683 7.704,684 8.614,685 9.507,686 10.417,687 11.315,688 12.225,689 6.3,692 1,696 1,698 1,704 3,709 3,711 6,731 48,733 10,734 1,735 31,737 51,738 20,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 2,755 2,756 1,757 1,758 2,761 12,762 8,763 1,766 4,771 1,773 3,774 1,775 3,778 1,779 3,781 20,782 8,784 8,790 3,794 0.75,795 2,811 1,812 3,815 1,827 1,831 2,836 1,839 1,840 3,844 1,846 3,848 28,854 5,856 1,858 1,859 2,860 1,869 3,870 4.2,873 1,874 1,877 14.75,878 8.945,879 5.917,880 2.945,881 2.248,882 1.289,883 0.988,884 4.965,885 10.015,886 3.664,887 4.212,888 4.734,889 5.246,890 5.683,891 5.919,892 6.244,893 6.527,894 6.775,895 7.075,896 0.857,897 47,898 10.868,900 5.196,901 8.199,902 19.405,904 16.412,905 2.699,906 75.583,909 1,910 235.422,911 107.861,912 23.034,914 36.145,915 44.88,917 107.861,918 271.567,919 67.914,920 8.825,921 37.579,922 37.905,923 43.606,924 74.347,925 25.441,926 211.88,927 7.76,928 235.422,929 130.895,930 81.025,933 176.567,934 128.881,935 11,937 55.978,938 62.684,939 12.233,941 280.302,942 59.179,943 107.861,946 243.182,947 35.277,948 71.074,950 97.811,951 235.422,952 104.059,953 107.861,955 0.6,956 0.349,957 0.187,958 0.098,959 24,960 11,961 0.059,962 3,963 1,964 1.095,965 3.838,966 253.819,967 0.095,968 21,969 125.851,974 19.074,975 7.288,976 3.714,978 104.059,979 4.157,984 0.081,987 447.343,988 38,993 12.49,995 4.821,996 4.665,997 0.964,999 49.334,1000 55.085,1001 0.312,1002 0.668,1003 0.85,1004 0.875,1005 0.882,1006 0.882,1007 4.966,1008 1.414,1009 5.953,1010 4.671,1011 4.533,1012 4.898,1013 3.392,1014 6.843,1015 4.409,1016 6.185,1017 1.304,1018 7.571,1019 3.84,1020 4.369,1021 4.783,1022 3.936,1023 8.042,1024 4.109,1025 7.516,1026 1.223,1027 9.3,1028 3.171,1029 6.248,1030 6.997,1031 5.465,1032 11.104,1033 5.989,1034 8.88,1035 1,1036 11.093,1037 2.933,1038 6.878,1039 7.666,1040 6.696,1041 13.086,1042 6.482,1043 10.278,1044 0.892,1045 12.928,1046 2.226,1047 8.297,1048 9.412,1049 8.062,1050 15.737,1051 7.876,1052 11.699,1053 0.241,1054 14.791,1055 2.136,1056 9.254,1057 10.441,1058 9.389,1059 18.013,1060 8.713,1061 13.137,1062 -0.204,1063 16.673,1064 0.625,1065 10.515,1066 11.996,1067 10.735,1068 20.542,1069 9.924,1070 3.394,1071 -0.413,1072 18.57,1073 -0.516,1074 11.608,1075 13.203,1076 12.074,1077 22.937,1078 10.912,1079 3.2,1080 12.291,1081 20.479,1082 -1.094,1083 12.818,1084 14.672,1085 13.417,1086 25.431,1087 12.053,1088 2.772,1089 10.95,1090 22.397,1091 4.121,1092 13.968,1093 15.969,1094 14.758,1095 27.878,1096 13.108,1097 2.651,1098 8.967,1099 24.323,1100 3.813,1101 15.164,1102 17.4,1103 16.1,1104 30.364,1105 14.226,1106 2.259,1107 8.592,1108 26.256,1109 3.179,1110 16.341,1111 18.744,1112 17.441,1113 32.835,1114 15.311,1115 1.82,1116 7.127,1117 28.194,1118 3.039,1119 17.536,1120 20.158,1121 18.783,1122 35.323,1123 16.423,1124 1.622,1125 4.946,1126 30.137,1127 2.676,1128 18.725,1129 21.528,1130 20.124,1131 37.806,1132 17.523,1133 8921,1134 16504,1135 20.285,1136 31.353,1137 48.747,1138 47.925,1139 48.799,1140 47.794,1141 47.581,1142 56.792,1143 17.123,1144 144.95,1145 44.563,1146 5.582,1147 6.472,1148 7.067,1149 5.362,1150 5.394,1151 7.121,1152 5.335,1153 20.012,1154 5.106,1155 15.109,1156 1.572,1157 1.546,1158 1.574,1159 1.542,1160 1.535,1161 1.832,1162 0.552,1163 4.676,1164 1.438,1165 4.029,1166 4.069,1167 3.986,1168 3.928,1169 8.513,1170 3.932,1171 3.92,1172 3.952,1173 3.878,1174 3.799,1175 7.999,1176 3.812,1177 3.75,1178 3.801,1179 3.646,1180 3.567,1181 7.999,1182 3.583,1183 3.422,1184 3.463,1185 3.387,1186 3.236,1187 7.429,1188 3.251,1189 3.306,1190 3.35,1191 3.265,1192 3.063,1193 4.822,1194 3.095,1195 3.171,1196 3.257,1197 2.992,1198 3.029,1199 4.663,1200 3.007,1201 3.111,1202 3.206,1203 2.938,1204 2.941,1205 4.593,1206 2.91,1207 3.044,1208 3.11,1209 2.866,1210 2.76,1211 4.242,1212 2.793,1213 0.148,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.582,1219 0.133,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.288,1225 0.1,1226 3.394,1227 4.121,1228 3.825,1229 12.291,1230 3.106,1231 1.952,1232 1.928,1233 2.054,1234 2.047,1235 1.382,1236 2.048,1237 1.862,1238 1.824,1239 2.029,1240 2.017,1241 1.241,1242 2.02,1243 1.568,1244 1.526,1245 1.691,1246 1.803,1247 0.825,1248 1.771,1249 1.463,1250 1.404,1251 1.634,1252 1.675,1253 0.801,1254 1.663,1255 1.21,1256 1.133,1257 1.552,1258 1.437,1259 0.759,1260 1.469,1261 1.163,1262 1.117,1263 1.513,1264 1.418,1265 0.603,1266 1.429,1267 1.153,1268 1.064,1269 1.373,1270 1.376,1271 0.517,1272 1.376,1273 0.982,1274 0.922,1275 1.16,1276 1.282,1277 0.325,1278 1.26,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.843,1287 10.4,1289 1.469,1291 39.592,1295 3.078,1297 5.37,1299 0.157,1300 3.137,1301 -4.399,1305 30.912,1306 83.691,1307 179.001,1308 227.814,1309 234.568,1310 236.568,1311 236.568,1312 64.307,1313 7.767,1314 48.53,1315 48.53,1316 23,1317 12.743,1318 3.459,1319 3,1320 42.326,1321 104,1322 101,1323 0.2,1324 184.522,1325 344.53,1326 441.993,1327 25072,1328 6.3,1329 19.889,1330 0.71,1331 0.549,1332 17.389,1333 15.369,1334 13.342,1335 0.43,1336 0.296,1337 8.968,1338 12.588,1339 8.822,1340 7.2,1341 12.131,1342 9.163,1343 13.03,1344 0.283,1345 0.154,1346 11.035,1347 7.089,1348 10.509,1349 0.172,1350 0.088,1351 9.804,1352 5.338,1353 9.037,1354 0.112,1355 0.046,1356 8.053,1357 3.724,1358 7.015,1359 0.07,1360 0.025,1361 6.447,1362 2.455,1363 0.31,1364 85.402,1365 0.222,1366 26.366,1367 0.563,1368 154,1369 638.74,1370 183.492,1371 527.219,1372 690.21,1373 490,1374 184,1375 484.132,1376 207.981,1377 467.857,1378 711.41,1379 439,1380 5.409}
{0 CHEMBL1957874,1 1.858,2 9.36,3 3.499,4 12.244,5 103.16,6 9.642,7 0.214,8 3.847,9 3.949,10 3.683,11 3.472,12 4.921,13 3.428,14 4.404,15 4.56,16 4.081,17 3.898,18 5.472,19 3.825,20 4.632,21 4.81,22 4.245,23 4.017,24 5.721,25 3.927,26 4.643,27 4.85,28 4.012,29 3.923,30 5.751,31 3.823,32 4.545,33 4.757,34 3.941,35 3.832,36 5.556,37 3.737,38 4.494,39 4.678,40 4.021,41 3.813,42 5.645,43 3.745,44 4.42,45 4.591,46 3.975,47 3.764,48 5.573,49 3.671,50 4.344,51 4.568,52 3.776,53 3.662,54 5.406,55 3.493,56 0.061,57 0.632,58 5.21,59 3.482,60 4.816,61 4.049,62 0.328,63 1.096,64 17.484,65 6.914,66 13.692,67 7.538,68 0.393,69 1.244,70 29.114,71 9.061,72 31.236,73 10.141,74 0.593,75 1.187,76 27.041,77 8.534,78 47.354,79 10.39,80 0.387,81 1.091,82 25.514,83 8.154,84 34.722,85 9.911,86 0.51,87 1.045,88 20.885,89 6.915,90 44.68,91 7.087,92 0.434,93 0.95,94 19.659,95 6.657,96 36.705,97 7.265,98 0.353,99 0.818,100 21.436,101 7.798,102 38.112,103 9.532,104 10,105 40,106 0.328,107 0.672,108 0.812,109 0.85,110 0.85,111 0.85,112 3.268,113 1.059,114 -5.57,115 -5.44,116 -5.08,119 41.5,125 5,135 1,137 2,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 5,175 5,183 4,187 2,195 6,198 5,199 5,207 2,212 5,220 1,224 6,232 1,237 9,245 1,250 4,258 2,263 4,271 3,275 886,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.517,282 21.437,283 9.922,284 17.798,285 13.805,286 13.805,287 13.805,288 13.805,289 13.805,290 11.456,291 26.113,292 4.706,293 15.22,294 3.5,295 1.548,296 0.75,297 0.537,298 0.537,299 0.537,300 3.965,301 2,304 1,305 1,306 511,307 2.345,310 51.289,311 209.364,314 93.076,318 1.494,319 23.273,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 53.667,331 234,332 4.467,333 4.216,334 6.727,335 4.133,336 3.208,337 3.988,338 2.95,339 10.959,340 2.971,341 4.31,342 3.794,343 6.342,344 3.861,345 2.946,346 3.808,347 1.443,348 9.455,349 2.673,350 3.907,351 3.438,352 6.101,353 3.643,354 2.731,355 3.079,356 1.074,357 8.898,358 2.482,359 3.56,360 3.173,361 5.622,362 3.262,363 2.312,364 2.705,365 0.88,366 7.244,367 2.174,368 3.275,369 3.023,370 5.02,371 2.833,372 1.907,373 2.508,374 0.68,375 5.591,376 1.687,377 3.053,378 2.509,379 4.537,380 2.703,381 1.819,382 2.066,383 0.249,384 4.672,385 1.603,386 2.867,387 2.427,388 4.423,389 2.36,390 1.414,391 2.029,392 0.136,393 3.926,394 1.286,395 2.775,396 2.047,397 3.869,398 2.258,399 1.335,400 1.705,402 3.179,403 1.217,404 2.457,405 1.877,406 3.754,407 2.112,408 1.235,409 1.386,411 2.934,412 1.064,413 2.209,414 1.738,415 3.447,416 1.938,417 1,418 1.103,420 2.23,421 0.924,422 2,423 1.37,424 3.247,425 1.812,426 0.896,427 1,428 2.136,429 0.803,430 1.584,431 1.149,432 3.057,433 1.163,434 0.36,435 0.395,436 0.862,437 0.235,438 1.395,439 0.554,440 2.696,441 0.763,442 -0.119,443 -0.152,445 -0.289,446 -0.094,447 1.049,448 0.381,449 2.519,450 0.605,451 -0.335,452 -0.463,454 -0.843,455 -0.302,456 0.724,457 0.15,458 2.359,459 0.407,460 -0.54,461 -0.64,463 -1.335,464 -0.49,465 12.695,466 0.508,467 0.627,468 0.025,469 29,470 1.16,471 11.5,472 0.46,473 17.5,474 0.7,475 23.676,476 0.947,477 26.305,478 0.642,479 19.583,480 0.783,481 5.285,482 0.211,483 6.846,484 0.274,485 0.139,487 0.331,493 0.676,494 1.465,495 0.547,496 0.87,497 0.492,498 0.841,499 0.749,500 1.011,501 0.857,502 0.95,503 0.518,504 0.854,505 0.968,506 1.261,507 0.864,508 1.039,509 0.801,510 0.979,511 0.964,512 0.873,513 0.916,514 0.853,515 1.034,516 1.001,517 0.96,518 1.112,519 0.814,520 0.911,521 0.976,522 0.941,523 1.557,524 0.892,525 0.868,526 0.727,527 1.779,528 0.811,529 1.284,530 1.064,531 0.95,532 1.033,533 1.524,534 1.079,535 0.664,536 0.851,537 0.764,538 0.908,539 0.806,540 0.979,541 4.5,542 0.066,543 3.333,544 1.694,545 1.449,546 0.847,547 0.529,548 0.369,549 0.232,550 0.12,551 7007,552 23106,553 2.13,554 39,556 14,557 2,564 1.683,565 2,566 3.231,567 -0.672,569 1,573 76.173,574 1.858,575 3.809,576 4.607,577 4.821,578 4.821,579 4.821,580 2.695,581 4.324,582 4.617,583 3.365,584 1009.39,585 7.999,586 11942.9,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.161,595 0.006,596 0.083,597 0.041,598 0.041,599 0.026,600 0.016,601 0.013,602 0.011,603 0.007,604 0.404,605 0.33,606 0.88,607 0.553,608 119.1,609 -0.042,610 -0.334,611 0.028,612 -0.062,613 -0.004,614 -0.033,615 0.053,616 0.155,617 -0.074,618 -0.005,619 0.062,620 0.01,621 -0.052,622 -0.229,623 0.019,624 -0.105,625 0.049,626 -0.051,627 0.063,628 0.11,629 -0.084,630 -0.027,631 -0.01,632 -0.077,633 -0.04,634 -0.151,635 0.015,636 -0.035,637 -0.076,638 0.022,639 -0.283,640 0.163,641 -0.053,642 0.141,643 -0.229,644 0.056,645 -0.129,646 -0.061,647 -0.07,648 -0.132,649 -0.144,650 -0.178,651 0.2,652 0.018,653 0.174,654 0.094,655 0.189,656 0.085,657 1.742,658 5.46,659 0.84,660 20.138,661 1.016,662 1.12,663 4.337,664 18.811,665 0.736,666 3.367,667 3.714,668 4.025,669 4.29,670 4.522,671 4.625,672 4.787,673 4.934,674 5.011,675 5.056,676 5.688,677 0.691,678 395.34,679 3.367,680 4.92,681 5.79,682 6.678,683 7.565,684 8.46,685 9.353,686 10.252,687 11.15,688 12.051,689 9.8,692 2,696 1,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 28,737 44,738 17,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,761 12,762 5,766 4,771 1,773 3,774 1,775 3,778 1,781 16,782 5,784 8,785 3,790 4,794 0.75,795 1,811 1,812 3,815 1,827 1,831 1,836 2,840 3,841 1,842 1,845 2,848 25,854 5,857 1,859 3,869 2,870 2.4,873 1,877 12.5,878 7.419,879 5.417,880 2.43,881 2.198,882 1.292,883 1.01,884 4.999,885 9.719,886 3.584,887 4.119,888 4.652,889 5.147,890 5.587,891 5.813,892 6.088,893 6.416,894 6.691,895 6.912,896 1,897 41,898 9.251,900 4.009,901 7.722,902 17.774,904 14.937,905 2.222,906 55.556,909 1,910 188.338,911 115.454,912 26.158,913 78.297,914 25.145,916 32.22,917 83.235,918 291.78,919 26.158,921 29.336,922 37.905,923 29.85,924 35.549,925 25.441,926 197.015,927 78.297,928 188.338,929 109.393,930 25.145,931 110.517,933 188.338,934 25.145,937 34.275,938 65.642,939 87.774,940 32.22,941 188.338,942 51.303,943 193.752,946 188.338,947 59.454,948 65.373,950 120.228,951 188.338,952 51.303,953 193.752,955 0.588,956 0.354,957 0.188,958 0.1,959 21,960 9,961 0.068,962 3,963 1,964 1.095,965 3.681,966 216.155,967 0.095,968 21,969 112.096,970 1,974 17.28,975 7.232,976 3.428,978 51.303,979 5.552,984 1.941,987 433.393,988 35,993 12.46,995 5.19,996 4.734,997 1.272,999 41.644,1000 45.917,1001 0.347,1002 0.711,1003 0.86,1004 0.9,1005 0.9,1006 0.9,1007 4.856,1008 1.335,1009 5.784,1010 3.926,1011 4.394,1012 4.804,1013 3.279,1014 6.621,1015 4.214,1016 6.046,1017 1.235,1018 7.362,1019 3.179,1020 4.007,1021 4.559,1022 1.104,1023 7.561,1024 3.705,1025 7.351,1026 1,1027 9.042,1028 2.934,1029 6.014,1030 6.881,1031 5.088,1032 10.686,1033 5.678,1034 8.689,1035 0.896,1036 10.781,1037 2.23,1038 6.463,1039 7.46,1040 1.822,1041 12.447,1042 6,1043 10.062,1044 0.36,1045 12.557,1046 2.136,1047 7.935,1048 9.261,1049 7.196,1050 15.08,1051 7.436,1052 11.458,1053 -0.119,1054 14.357,1055 0.862,1056 8.76,1057 10.226,1058 2.537,1059 17.176,1060 8.145,1061 12.871,1062 -0.335,1063 16.176,1064 -0.289,1065 10.023,1066 11.806,1067 9.35,1068 19.637,1069 9.358,1070 3.208,1071 -0.54,1072 18.007,1073 -0.843,1074 11.017,1075 12.963,1076 3.269,1077 21.88,1078 10.25,1079 2.946,1080 10.959,1081 19.848,1082 -1.335,1083 12.199,1084 14.439,1085 11.512,1086 24.279,1087 11.37,1088 2.731,1089 9.455,1090 21.696,1091 3.988,1092 13.271,1093 15.694,1094 4.008,1095 26.591,1096 12.35,1097 2.312,1098 8.898,1099 23.55,1100 3.808,1101 14.423,1102 17.118,1103 13.675,1104 28.97,1105 13.434,1106 1.907,1107 7.244,1108 25.409,1109 3.079,1110 15.531,1111 18.425,1112 4.747,1113 31.315,1114 14.458,1115 1.819,1116 5.591,1117 27.273,1118 2.705,1119 16.674,1120 19.824,1121 15.838,1122 33.691,1123 15.529,1124 1.414,1125 4.672,1126 29.14,1127 2.508,1128 17.801,1129 21.158,1130 5.486,1131 36.054,1132 16.576,1133 6641,1134 12190,1135 18.898,1136 30.171,1137 43.218,1138 46.953,1139 43.718,1140 42.47,1141 42.33,1142 51.544,1143 14.823,1144 124.171,1145 38.236,1146 5.467,1147 6.216,1148 6.529,1149 5.277,1150 5.208,1151 6.988,1152 5.9,1153 18.147,1154 4.971,1155 10.803,1156 1.543,1157 1.677,1158 1.561,1159 1.517,1160 1.512,1161 1.841,1162 0.529,1163 4.435,1164 1.366,1165 4.001,1166 4.045,1167 4.129,1168 3.901,1169 7.429,1170 3.898,1171 3.875,1172 3.9,1173 3.976,1174 3.755,1175 5.038,1176 3.765,1177 3.708,1178 3.765,1179 3.846,1180 3.595,1181 4.803,1182 3.557,1183 3.384,1184 3.423,1185 3.45,1186 3.262,1187 4.488,1188 3.252,1189 3.111,1190 3.206,1191 3.365,1192 2.977,1193 4.355,1194 2.961,1195 3.098,1196 3.16,1197 3.253,1198 2.941,1199 4.262,1200 2.91,1201 2.899,1202 2.92,1203 3.047,1204 2.837,1205 4.073,1206 2.806,1207 2.895,1208 2.917,1209 2.866,1210 2.674,1211 3.683,1212 2.685,1213 0.16,1214 0.151,1215 0.24,1216 0.148,1217 0.115,1218 4.467,1219 0.142,1220 4.216,1221 0.105,1222 6.727,1223 0.391,1224 4.133,1225 0.106,1226 3.208,1227 3.988,1228 2.95,1229 10.959,1230 2.971,1231 1.901,1232 1.883,1233 1.973,1234 1.997,1235 1.264,1236 1.994,1237 1.787,1238 1.741,1239 1.908,1240 1.953,1241 1.163,1242 1.961,1243 1.569,1244 1.529,1245 1.677,1246 1.757,1247 0.825,1248 1.754,1249 1.451,1250 1.393,1251 1.616,1252 1.644,1253 0.772,1254 1.643,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.739,1260 1.429,1261 1.113,1262 1.058,1263 1.35,1264 1.282,1265 0.483,1266 1.313,1267 0.847,1268 0.827,1269 1.006,1270 1.003,1271 0.277,1272 1.039,1273 0.802,1274 0.748,1275 0.964,1276 0.994,1277 0.084,1278 0.989,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.727,1285 8.547,1286 6.843,1287 10.221,1290 12.404,1295 4.435,1298 1.926,1300 5.642,1305 28.33,1306 76.173,1307 156.176,1308 188.905,1309 197.66,1310 197.66,1311 197.66,1312 37.914,1313 7.521,1314 42.54,1315 67.84,1316 23,1317 12.573,1318 3.459,1319 3,1320 35.797,1321 84,1322 82,1323 0.208,1324 182.745,1325 325.56,1326 437.658,1327 18379,1328 4.9,1329 17.389,1330 0.696,1331 0.628,1332 18.742,1333 15.689,1334 12.131,1335 0.433,1336 0.353,1337 8.028,1338 10.656,1339 7.706,1340 6.266,1341 13.208,1342 9.885,1343 11.035,1344 0.276,1345 0.197,1346 12.27,1347 7.871,1348 9.804,1349 0.178,1350 0.111,1351 11.269,1352 6.08,1353 8.053,1354 0.112,1355 0.059,1356 9.021,1357 4.239,1358 6.447,1359 0.071,1360 0.034,1361 7.355,1362 3.055,1363 0.32,1364 86.81,1365 0.23,1366 23.941,1367 0.593,1368 136,1369 405.583,1370 198.047,1371 471.096,1372 623.99,1373 440,1374 163,1375 402.409,1376 219.778,1377 432.628,1378 643.24,1379 407,1380 5.495}
{0 CHEMBL1972466,1 1.51,2 9.926,3 2.373,4 5.633,5 107.992,6 7.147,7 0.2,8 4.031,9 4.157,10 3.575,11 3.544,12 5.071,13 3.526,14 4.591,15 4.776,16 3.935,17 3.933,18 5.598,19 3.897,20 4.836,21 5.048,22 4.006,23 4.098,24 5.814,25 4.032,26 4.893,27 5.133,28 3.978,29 4.113,30 5.866,31 4.022,32 4.89,33 5.119,34 3.997,35 4.129,36 5.867,37 4.044,38 4.945,39 5.166,40 3.923,41 4.114,42 5.994,43 4.019,44 4.9,45 5.149,46 3.821,47 4.045,48 5.875,49 3.934,50 4.762,51 5.005,52 3.679,53 3.97,54 5.639,55 3.84,56 0.017,57 0.768,58 11.048,59 4.502,60 7.139,61 6.192,62 0.276,63 1.244,64 21.379,65 7.34,66 23.27,67 10.361,68 0.318,69 1.527,70 28.036,71 9.186,72 33.43,73 13.39,74 0.43,75 1.585,76 30.254,77 10.118,78 42.239,79 14.92,80 0.258,81 1.571,82 29.691,83 10.279,84 36.76,85 15.03,86 0.459,87 1.581,88 32.223,89 10.528,90 63.45,91 14.856,92 0.532,93 1.469,94 31.55,95 10.299,96 62.434,97 14.911,98 0.178,99 1.332,100 26.278,101 9.662,102 29.619,103 14.019,104 10,105 42,106 0.254,107 0.616,108 0.788,109 0.82,110 0.829,111 0.829,112 3.341,113 0.93,114 -4.49,115 -4.42,116 -4.16,119 41.2,120 2,125 4,127 1,135 2,136 2,137 1,139 1,142 5,144 1,158 2,172 7,174 3,175 7,180 4,183 7,186 1,187 3,192 3,195 4,198 3,199 6,202 2,204 2,207 7,211 1,212 5,217 1,220 9,224 7,227 2,229 1,232 7,236 2,237 6,245 5,250 7,258 5,263 6,266 1,271 3,275 1136,276 18.361,277 18.361,278 18.361,279 18.361,280 18.361,281 16.71,282 27.171,283 10.971,284 18.815,285 14.854,286 14.854,287 14.854,288 14.854,289 14.854,290 12.227,291 39.696,292 5.279,293 15.577,294 4.162,295 2.004,296 0.978,297 0.79,298 0.735,299 0.735,300 4.038,303 1,304 1,305 1,306 584,307 2.828,311 294.03,315 112.279,318 1.416,319 21.884,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 268,332 4.534,333 3.772,334 6.809,335 4.191,336 3.237,337 3.953,338 1.261,339 11.251,340 3.091,341 4.067,342 3.25,343 6.153,344 3.757,345 2.81,346 3.465,347 0.938,348 9.078,349 2.671,350 3.904,351 3.112,352 5.953,353 3.567,354 2.618,355 3.328,356 0.86,357 8.268,358 2.477,359 3.697,360 2.737,361 5.381,362 3.372,363 2.387,364 2.881,365 0.703,366 6.993,367 2.337,368 3.525,369 2.453,370 5.02,371 3.142,372 2.156,373 2.658,374 0.657,375 5.957,376 2.126,377 3.166,378 2.377,379 4.868,380 2.759,381 1.793,382 2.258,383 0.236,384 5.098,385 1.728,386 2.941,387 2.255,388 4.507,389 2.685,390 1.763,391 1.998,393 4.551,394 1.61,395 2.886,396 1.684,397 4.012,398 2.415,399 1.427,400 1.935,402 3.262,403 1.407,404 2.5,405 1.555,406 3.577,407 2.073,408 1.172,409 1.5,411 2.824,412 1.051,413 2.401,414 1.301,415 3.499,416 2,417 1,418 1.295,420 2.503,421 1,422 2.236,423 1.256,424 3.247,425 1.952,426 1,427 1.157,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.909,434 0.956,435 1,436 2.136,437 0.902,438 1.73,439 0.824,440 3.015,441 1.128,442 0.156,443 0.21,445 0.417,446 0.15,447 1.043,448 0.13,449 2.754,450 0.75,451 -0.216,452 -0.255,454 -0.519,455 -0.209,456 0.854,457 -0.04,458 2.648,459 0.551,460 -0.449,461 -0.552,463 -1.215,464 -0.443,465 12.767,466 0.473,467 0.644,468 0.024,469 32.25,470 1.194,471 14,472 0.519,473 18.25,474 0.676,475 24.098,476 0.893,477 29.233,478 0.573,479 24.678,480 0.914,481 6.545,482 0.242,483 6.569,484 0.243,485 0.104,487 0.337,493 0.818,494 1.486,495 0.806,496 1.179,497 0.628,498 1.016,499 1.091,500 1.119,501 0.905,502 0.938,503 0.657,504 0.9,505 1.139,506 1.175,507 1.028,508 0.998,509 0.935,510 0.99,511 0.767,512 0.935,513 0.952,514 0.939,515 0.899,516 0.956,517 0.846,518 1.126,519 0.95,520 1.062,521 0.907,522 1.016,523 1.442,524 1.063,525 1.228,526 1.078,527 2.047,528 1.119,529 1.141,530 0.882,531 1.05,532 0.882,533 1.59,534 0.942,535 0.747,536 1.107,537 1.061,538 1.181,539 0.555,540 1.16,541 5,542 0.033,543 2.667,544 1.625,545 1.951,546 1.146,547 0.63,548 0.427,549 0.308,550 0.147,551 8420,552 20096,553 2.12,554 47.1,555 3,556 16,557 1,559 1,561 3,564 1.707,565 2,566 3.287,567 -0.346,568 1,569 1,573 77.016,574 1.51,575 3.668,576 4.694,577 4.883,578 4.937,579 4.937,580 2.713,581 4.385,582 4.724,583 3.406,584 1195.62,585 8.235,586 14906.2,588 1,590 1,591 289.294,592 1.352,593 4.694,594 0.167,595 0.003,596 0.063,597 0.037,598 0.046,599 0.027,600 0.017,601 0.012,602 0.01,603 0.007,604 0.389,605 0.33,606 1,607 0.528,608 131.681,609 -0.015,610 -0.274,611 0.074,612 -0.108,613 -0.047,614 -0.022,615 0.015,616 0.01,617 0.053,618 0.048,619 0.048,620 0.049,621 -0.1,622 -0.092,623 -0.061,624 -0.03,625 -0.054,626 -0.039,627 0.105,628 0.122,629 0.015,630 0.02,631 0.051,632 0.007,633 0.009,634 -0.082,635 0.005,636 -0.077,637 0.034,638 -0.038,639 -0.168,640 -0.046,641 -0.23,642 -0.116,643 -0.237,644 -0.174,645 -0.011,646 0.087,647 -0.048,648 0.081,649 -0.088,650 0.024,651 -0.038,652 -0.112,653 -0.119,654 -0.176,655 0.04,656 -0.156,657 1.724,658 5.772,659 0.815,660 23.786,661 0.998,662 1.129,663 3.264,664 10.655,665 0.658,666 3.434,667 3.761,668 4.043,669 4.344,670 4.635,671 4.682,672 4.868,673 4.977,674 5.069,675 5.088,676 5.861,677 0.623,678 364.49,679 3.434,680 4.977,681 5.832,682 6.718,683 7.595,684 8.489,685 9.378,686 10.276,687 11.172,688 12.073,689 7.8,692 1,694 1,696 1,698 1,704 5,709 1,711 6,724 1,731 51,733 11,734 1,735 30,737 54,738 21,739 6,740 1,741 5,742 8,746 4,747 5,752 2,758 1,761 14,762 7,766 5,771 1,773 3,774 1,775 5,778 1,781 24,782 6,783 1,784 6,790 4,791 1,794 0.75,795 2,812 4,816 1,827 1,831 2,832 2,836 1,839 1,840 3,844 2,848 27,854 4,855 1,856 1,858 1,859 2,870 3.9,873 1,874 1,877 13.5,878 9.683,879 5.889,880 3.128,881 2.455,882 1.324,883 0.986,884 5.145,885 10.022,886 3.664,887 4.182,888 4.698,889 5.207,890 5.728,891 5.893,892 6.262,893 6.573,894 6.865,895 7.034,896 0.857,897 44,898 10.012,900 4.251,901 7.623,902 19.387,904 15.994,905 2.123,906 57.333,909 1,910 270.735,911 124.916,912 41.045,914 36.145,917 124.916,918 306.88,919 41.045,920 17.65,921 25.568,922 66.334,923 61.188,924 31.366,925 11.771,926 258.964,928 270.735,929 165.961,930 36.145,933 235.422,934 60.458,935 11,937 54.081,938 74.917,939 36.963,941 270.735,942 77.19,943 124.916,946 270.735,947 31.885,948 99.28,949 18.011,950 52.93,951 270.735,952 77.19,953 124.916,955 0.58,956 0.338,957 0.192,958 0.114,959 21,960 9,961 0.074,962 4,963 1,964 1.091,965 3.828,966 239.837,967 0.091,968 22,969 120.382,974 18.021,975 7.709,976 3.846,978 77.19,979 10.069,984 1.038,986 18.011,987 472.841,988 38,993 12.772,995 5.578,996 4.857,997 3.4,999 50.898,1000 57.564,1001 0.266,1002 0.647,1003 0.828,1004 0.861,1005 0.87,1006 0.87,1007 4.924,1008 1.427,1009 5.814,1010 4.551,1011 4.443,1012 4.868,1013 2.191,1014 6.632,1015 4.355,1016 6.108,1017 1.172,1018 7.372,1019 3.262,1020 4.007,1021 4.527,1022 0.57,1023 7.526,1024 3.887,1025 7.404,1026 1,1027 9.033,1028 2.824,1029 6.033,1030 6.911,1031 2.134,1032 10.669,1033 5.855,1034 8.731,1035 1,1036 10.754,1037 2.503,1038 6.415,1039 7.354,1040 0.941,1041 12.411,1042 6.197,1043 10.09,1044 0.956,1045 12.517,1046 2.136,1047 7.915,1048 9.222,1049 2.247,1050 15.073,1051 7.644,1052 11.473,1053 0.156,1054 14.307,1055 2.136,1056 8.691,1057 10.058,1058 1.365,1059 17.183,1060 8.374,1061 12.874,1062 -0.216,1063 16.118,1064 0.417,1065 9.972,1066 11.684,1067 2.47,1068 19.676,1069 9.606,1070 3.237,1071 -0.449,1072 17.945,1073 -0.519,1074 10.945,1075 12.737,1076 1.834,1077 21.952,1078 10.53,1079 2.81,1080 11.251,1081 19.785,1082 -1.215,1083 12.138,1084 14.237,1085 2.766,1086 24.386,1087 11.676,1088 2.618,1089 9.078,1090 21.636,1091 3.953,1092 13.206,1093 15.416,1094 2.322,1095 26.737,1096 12.695,1097 2.387,1098 8.268,1099 23.495,1100 3.465,1101 14.369,1102 16.85,1103 3.113,1104 29.154,1105 13.811,1106 2.156,1107 6.993,1108 25.361,1109 3.328,1110 15.483,1111 18.104,1112 2.817,1113 31.539,1114 14.878,1115 1.793,1116 5.957,1117 27.233,1118 2.881,1119 16.639,1120 19.504,1121 3.493,1122 33.952,1123 15.988,1124 1.763,1125 5.098,1126 29.111,1127 2.658,1128 17.777,1129 20.802,1130 3.312,1131 36.354,1132 17.079,1133 7986,1134 12464,1135 20.285,1136 33.546,1137 46.24,1138 46.503,1139 45.779,1140 44.942,1141 44.95,1142 55.275,1143 9.311,1144 128.946,1145 42.99,1146 5.534,1147 5.772,1148 6.611,1149 5.295,1150 5.237,1151 6.953,1152 2.387,1153 18.629,1154 5.091,1155 11.014,1156 1.541,1157 1.55,1158 1.526,1159 1.498,1160 1.498,1161 1.843,1162 0.31,1163 4.298,1164 1.433,1165 4.016,1166 4.058,1167 3.973,1168 3.893,1169 7.429,1170 3.904,1171 3.882,1172 3.92,1173 3.815,1174 3.793,1175 4.844,1176 3.794,1177 3.763,1178 3.814,1179 3.662,1180 3.586,1181 4.755,1182 3.599,1183 3.527,1184 3.575,1185 3.434,1186 3.347,1187 4.608,1188 3.361,1189 3.437,1190 3.499,1191 3.3,1192 3.296,1193 4.36,1194 3.289,1195 3.111,1196 3.206,1197 2.935,1198 2.941,1199 4.173,1200 2.91,1201 3.015,1202 3.082,1203 2.866,1204 2.839,1205 3.814,1206 2.838,1207 2.943,1208 3.001,1209 2.81,1210 2.737,1211 3.686,1212 2.722,1213 0.151,1214 0.126,1215 0.227,1216 0.14,1217 0.108,1218 4.534,1219 0.132,1220 3.772,1221 0.042,1222 6.809,1223 0.375,1224 4.191,1225 0.103,1226 3.237,1227 3.953,1228 1.261,1229 11.251,1230 3.091,1231 1.936,1232 1.901,1233 2.046,1234 2.084,1235 1.225,1236 2.069,1237 1.866,1238 1.834,1239 1.984,1240 1.989,1241 1.184,1242 1.992,1243 1.714,1244 1.661,1245 1.913,1246 1.917,1247 1.048,1248 1.919,1249 1.484,1250 1.431,1251 1.742,1252 1.69,1253 0.878,1254 1.704,1255 1.431,1256 1.378,1257 1.617,1258 1.616,1259 0.825,1260 1.629,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.682,1266 1.429,1267 1.009,1268 0.933,1269 1.336,1270 1.234,1271 0.43,1272 1.273,1273 0.906,1274 0.83,1275 1.185,1276 1.16,1277 0.252,1278 1.174,1279 4.111,1281 5.434,1283 6.963,1285 8.589,1287 10.269,1289 4.093,1295 2.824,1296 3.507,1297 5.42,1299 0.008,1300 3.765,1305 31.783,1306 77.016,1307 187.081,1308 239.419,1309 249.029,1310 251.784,1311 251.784,1312 40.273,1313 7.567,1314 58.87,1315 58.87,1316 24,1317 12.596,1318 3.585,1319 3.17,1320 39.928,1321 92,1322 101,1323 0.209,1324 194.387,1325 351.98,1326 466.063,1327 19450,1329 18.803,1330 0.696,1331 0.581,1332 18.803,1333 15.683,1334 13.114,1335 0.437,1336 0.31,1337 9.16,1338 12.586,1339 8.904,1340 7.373,1341 13.114,1342 9.299,1343 11.892,1344 0.283,1345 0.165,1346 11.892,1347 6.95,1348 9.907,1349 0.177,1350 0.087,1351 9.907,1352 4.871,1353 8.563,1354 0.113,1355 0.046,1356 8.563,1357 3.493,1358 7.442,1359 0.073,1360 0.024,1361 7.442,1362 2.49,1363 0.319,1364 82.191,1365 0.222,1366 25.54,1367 0.602,1368 144,1369 394.739,1370 158.474,1371 379.358,1372 526.47,1373 358,1374 170,1375 392.752,1376 185.42,1377 396.799,1378 584.7,1379 374,1380 5.122}
{0 CHEMBL1986603,1 1.787,2 15.438,3 2.286,4 5.224,5 121.184,6 8.52,7 0.6,8 4.097,9 4.214,10 3.808,11 3.622,12 5.299,13 3.613,14 4.579,15 4.739,16 4.191,17 3.975,18 5.788,19 3.947,20 4.744,21 4.938,22 4.086,23 4.016,24 5.875,25 3.954,26 4.751,27 4.938,28 4.125,29 4.043,30 5.963,31 3.958,32 4.706,33 4.897,34 3.971,35 3.96,36 5.894,37 3.89,38 4.701,39 4.933,40 3.874,41 3.858,42 5.884,43 3.761,44 4.584,45 4.793,46 3.835,47 3.749,48 5.746,49 3.678,50 4.487,51 4.681,52 3.943,53 3.744,54 5.743,55 3.684,56 0.176,57 0.867,58 9.25,59 4.425,60 10.985,61 5.147,62 0.409,63 1.331,64 18.772,65 7.193,66 30.395,67 9.01,68 0.632,69 1.419,70 25.778,71 8.382,72 58.909,73 9.641,74 0.626,75 1.444,76 30.363,77 9.82,78 61.27,79 11.293,80 0.556,81 1.348,82 25.274,83 8.504,84 56.168,85 10.028,86 0.613,87 1.265,88 27.456,89 8.961,90 70.913,91 11.778,92 0.607,93 1.137,94 24.969,95 7.377,96 64.111,97 8.592,98 0.485,99 1.096,100 21.408,101 7.132,102 44.703,103 8.548,104 17,105 48,106 0.293,107 0.681,108 0.812,109 0.873,110 0.873,111 0.873,112 3.501,113 0.913,114 -4,115 -3.95,116 -3.74,119 39.6,120 2,121 1,125 1,142 6,143 1,144 1,145 1,146 1,147 1,151 1,152 2,158 1,159 1,162 1,166 2,172 4,175 10,178 5,179 1,180 4,183 6,187 6,190 1,195 6,198 2,199 9,202 2,203 1,204 5,207 7,211 1,212 4,217 2,220 4,223 1,224 5,227 3,228 1,229 5,232 3,236 1,237 4,240 1,242 2,249 3,250 5,253 3,255 5,258 3,262 1,263 1,266 2,271 3,275 2008,276 21.532,277 21.532,278 21.532,279 21.532,280 21.532,281 18.711,282 27.537,283 12.821,284 22.051,285 17.309,286 17.309,287 17.309,288 17.309,289 17.309,290 13.03,291 34.462,292 6.154,293 18.165,294 3.941,295 1.575,296 0.774,297 0.406,298 0.406,299 0.406,300 4.193,304 1,305 1,306 1074,307 3.873,310 328.41,311 118.052,318 2.563,319 30.48,322 1,323 0.67,324 1,325 0.6,327 0.83,328 0.5,329 0.66,330 70.5,331 494,332 4.451,333 3.598,334 6.503,335 4.014,336 3.082,337 4.157,338 1.907,339 10.176,340 2.89,341 4.213,342 3.542,343 6.137,344 3.785,345 2.841,346 3.842,347 1.656,348 9.032,349 2.671,350 4.111,351 3.13,352 5.619,353 3.709,354 2.741,355 3.72,356 0.247,357 7.787,358 2.654,359 3.804,360 2.958,361 5.478,362 3.447,363 2.495,364 3.247,365 0.149,366 7.304,367 2.374,368 3.636,369 2.779,370 5.065,371 3.302,372 2.3,373 2.88,375 6.083,376 2.285,377 3.565,378 2.371,379 5.007,380 3.135,381 2.161,382 2.808,384 5.911,385 2.087,386 3.255,387 2.043,388 4.662,389 2.783,390 1.833,391 2.536,393 4.907,394 1.736,395 3.038,396 2.03,397 4.485,398 2.681,399 1.708,400 2.187,402 4.581,403 1.654,404 3,405 1.773,406 4.464,407 2.57,408 1.631,409 2.15,411 4.42,412 1.503,413 2.5,414 1.637,415 3.894,416 2,417 1.054,418 1.5,420 2.795,421 1,422 2.481,423 1.113,424 3.414,425 1.992,426 1.008,427 1.474,428 2.275,429 0.979,430 2.26,431 1,432 3.328,433 1.965,434 1,435 1.156,436 2.211,437 0.951,438 2.222,439 0.835,440 3.271,441 1.715,442 0.768,443 1.121,445 1.951,446 0.716,447 2.175,448 0.796,449 3.26,450 1.69,451 0.722,452 1.044,454 1.712,455 0.694,456 2.118,457 0.731,458 3,459 1.565,460 0.618,461 0.927,463 1.372,464 0.584,465 15.133,466 0.473,467 0.784,468 0.024,469 43.5,470 1.359,471 22,472 0.688,473 21.5,474 0.672,475 25.412,476 0.794,477 34.067,478 0.643,479 32.392,480 1.012,481 8.75,482 0.273,483 6.724,484 0.21,485 0.11,487 0.324,493 0.723,494 1.256,495 0.702,496 0.951,497 0.574,498 0.879,499 0.603,500 1.198,501 0.731,502 1.028,503 0.518,504 0.926,505 1.382,506 0.947,507 1.136,508 0.85,509 1.279,510 0.923,511 0.936,512 1.052,513 1.347,514 1.28,515 1.081,516 1.099,517 1.133,518 1.109,519 1.237,520 1.143,521 1.277,522 1.133,523 0.683,524 1.004,525 0.951,526 1.07,527 0.64,528 1.051,529 1.455,530 0.989,531 1.212,532 0.978,533 1.71,534 0.961,535 0.852,536 0.998,537 0.96,538 1.096,539 0.987,540 0.971,541 7,542 0.127,543 3.111,544 2.417,545 1.087,546 1.14,547 0.506,548 0.459,549 0.238,550 0.285,551 17442,552 53672,553 2.082,554 39.6,556 8,557 1,558 1,559 3,560 8,564 1.738,565 1.959,566 3.885,567 0.946,569 1,573 94.696,574 1.787,575 4.153,576 4.954,577 5.322,578 5.322,579 5.322,580 3.382,581 4.476,582 4.969,583 4.098,584 2032.46,585 8.652,586 32497.1,588 1,591 303.58,592 1.366,593 4.936,594 0.2,595 0.005,596 0.065,597 0.058,598 0.026,599 0.03,600 0.015,601 0.015,602 0.007,603 0.009,604 0.43,605 0.33,606 1,607 0.531,608 173.982,609 0.02,610 -0.076,611 0.057,612 0.014,613 -0.041,614 0.011,615 0.208,616 -0.091,617 0.17,618 -0.034,619 0.129,620 0.009,621 -0.3,622 0.091,623 -0.13,624 0.139,625 -0.231,626 0.012,627 0.016,629 -0.141,630 -0.114,631 0.009,632 -0.1,633 -0.149,634 -0.082,635 -0.234,636 -0.132,637 -0.148,638 -0.174,639 0.207,640 -0.074,641 0.068,642 -0.071,643 0.262,644 -0.02,645 -0.232,646 -0.015,647 -0.096,648 0.053,649 -0.242,650 0.005,651 0.159,652 0.023,653 0.137,654 -0.029,655 0.152,656 0.009,657 2.093,658 5.164,659 0.656,660 43.219,661 1.018,662 1.131,663 2.769,664 7.666,665 0.686,666 3.584,667 3.892,668 4.111,669 4.357,670 4.394,671 4.489,672 4.605,673 4.644,674 4.71,675 4.787,676 8.98,677 0.664,678 451.56,679 3.584,680 5.118,681 5.948,682 6.812,683 7.656,684 8.523,685 9.374,686 10.243,687 11.099,688 11.969,689 13.2,696 3,697 1,699 3,704 8,705 3,707 1,708 1,709 7,710 1,711 21,731 53,733 23,734 1,735 35,737 56,738 21,739 15,740 2,741 4,746 4,747 4,751 1,752 2,758 1,761 17,762 4,766 2,771 2,775 2,778 1,781 21,782 9,783 3,784 11,785 1,789 1,790 7,794 1,795 3,803 1,811 3,812 1,826 1,840 4,842 1,844 2,848 32,854 2,855 3,863 1,870 5.7,873 2,875 1,877 16.333,878 10.133,879 7,880 2.997,881 3.364,882 1.44,883 0.99,884 6.974,885 11.001,886 3.882,887 4.469,888 4.993,889 5.57,890 5.831,891 6.162,892 6.594,893 6.905,894 7.27,895 7.579,896 1,897 42,898 11.771,900 4.947,901 7.87,902 22.041,904 17.505,905 2.37,906 75.833,910 211.88,911 155.836,912 108.854,914 60.024,916 31.278,917 124.558,918 271.904,919 108.854,920 17.65,921 58.672,922 65.905,923 119.811,924 29.758,925 25.182,926 219.615,928 211.88,929 233.412,930 60.024,931 31.278,933 211.88,934 60.024,937 90.404,938 89.963,939 53.045,940 31.278,941 211.88,942 168.878,943 155.836,946 211.88,947 63.233,948 94.379,949 54.032,950 113.069,951 211.88,952 168.878,953 155.836,955 0.579,956 0.326,957 0.176,958 0.081,959 22,960 10,961 0.125,962 7,964 1,965 4.562,966 272.008,968 21,969 156,970 1,974 22.178,975 10.063,976 5.822,978 167.101,979 15.048,980 12.342,982 4.887,983 1.385,984 5.179,985 1.785,986 54.032,987 536.594,988 47.5,993 24.05,997 -0.7,999 53.956,1000 59.943,1001 0.312,1002 0.725,1003 0.865,1004 0.929,1005 0.929,1006 0.929,1007 5.101,1008 1.708,1009 5.922,1010 4.907,1011 4.575,1012 5.156,1013 2.472,1014 6.683,1015 4.481,1016 6.304,1017 1.631,1018 7.448,1019 4.581,1020 4.111,1021 4.89,1022 1.977,1023 7.455,1024 3.978,1025 7.598,1026 1.054,1027 9.069,1028 4.42,1029 6.125,1030 7.304,1031 3.348,1032 10.527,1033 5.932,1034 8.926,1035 1.008,1036 10.745,1037 2.795,1038 6.479,1039 7.881,1040 3.4,1041 12.15,1042 6.232,1043 10.283,1044 1,1045 12.458,1046 2.275,1047 7.938,1048 9.718,1049 4.398,1050 14.712,1051 7.639,1052 11.66,1053 0.768,1054 14.197,1055 2.211,1056 8.67,1057 10.695,1058 4.713,1059 16.705,1060 8.305,1061 13.054,1062 0.722,1063 15.957,1064 1.951,1065 9.907,1066 12.288,1067 5.535,1068 19.091,1069 9.49,1070 3.082,1071 0.618,1072 17.733,1073 1.712,1074 10.822,1075 13.468,1076 5.991,1077 21.25,1078 10.334,1079 2.841,1080 10.176,1081 19.521,1082 1.372,1083 11.967,1084 14.951,1085 6.722,1086 23.574,1087 11.425,1088 2.741,1089 9.032,1090 21.32,1091 4.157,1092 12.972,1093 16.235,1094 7.257,1095 25.808,1096 12.358,1097 2.495,1098 7.787,1099 23.128,1100 3.842,1101 14.081,1102 17.669,1103 7.942,1104 28.114,1105 13.409,1106 2.3,1107 7.304,1108 24.944,1109 3.72,1110 15.131,1111 19.007,1112 8.521,1113 30.384,1114 14.389,1115 2.161,1116 6.083,1117 26.766,1118 3.247,1119 16.229,1120 20.42,1121 9.182,1122 32.686,1123 15.425,1124 1.833,1125 5.911,1126 28.593,1127 2.88,1128 17.304,1129 21.788,1130 9.787,1131 34.974,1132 16.429,1133 16391,1134 28958,1135 23.463,1136 36.381,1137 52.945,1138 53.393,1139 53,1140 51.907,1141 51.922,1142 69.496,1143 7.919,1144 145.034,1145 49.558,1146 5.397,1147 5.598,1148 6.099,1149 5.151,1150 5.082,1151 7.157,1152 3.306,1153 16.942,1154 4.89,1155 15.384,1156 1.513,1157 1.526,1158 1.514,1159 1.483,1160 1.483,1161 1.986,1162 0.226,1163 4.144,1164 1.416,1165 4.045,1166 4.082,1167 4.263,1168 3.989,1169 7.433,1170 3.963,1171 3.901,1172 3.934,1173 3.926,1174 3.746,1175 7.427,1176 3.732,1177 3.86,1178 3.898,1179 3.86,1180 3.686,1181 5.221,1182 3.72,1183 3.689,1184 3.74,1185 3.615,1186 3.532,1187 5.009,1188 3.532,1189 3.611,1190 3.654,1191 3.564,1192 3.453,1193 4.842,1194 3.463,1195 3.39,1196 3.434,1197 3.34,1198 3.099,1199 4.568,1200 3.15,1201 3.103,1202 3.201,1203 3.003,1204 2.899,1205 4.16,1206 2.868,1207 2.985,1208 3.067,1209 2.886,1210 2.814,1211 3.951,1212 2.781,1213 0.127,1214 0.103,1215 0.186,1216 0.115,1217 0.088,1218 4.451,1219 0.119,1220 3.598,1221 0.054,1222 6.503,1223 0.291,1224 4.014,1225 0.083,1226 3.082,1227 4.157,1228 1.907,1229 10.176,1230 2.89,1231 1.928,1232 1.905,1233 2.012,1234 2.016,1235 1.146,1236 2.018,1237 1.666,1238 1.615,1239 1.856,1240 1.906,1241 1.094,1242 1.889,1243 1.545,1244 1.5,1245 1.76,1246 1.749,1247 0.846,1248 1.742,1249 1.519,1250 1.476,1251 1.717,1252 1.707,1253 0.817,1254 1.704,1255 1.44,1256 1.389,1257 1.632,1258 1.66,1259 0.661,1260 1.631,1261 1.384,1262 1.354,1263 1.474,1264 1.578,1265 0.506,1266 1.595,1267 1.237,1268 1.177,1269 1.359,1270 1.518,1271 0.45,1272 1.489,1273 1.169,1274 1.094,1275 1.331,1276 1.46,1277 0.329,1278 1.437,1279 4.263,1281 5.572,1282 3.434,1283 7.038,1284 5.687,1285 8.578,1286 7.662,1287 10.162,1289 3.628,1295 0.269,1296 7.961,1305 35.169,1306 94.696,1307 220.096,1308 262.56,1309 282.07,1310 282.07,1311 282.07,1312 55.418,1313 7.637,1314 126.97,1315 155.21,1316 21,1317 12.515,1318 4.585,1319 3.755,1320 52.355,1321 172,1322 168,1323 0.143,1324 221.114,1325 371.66,1326 531.279,1327 25157,1329 22.501,1330 0.703,1331 0.571,1332 22.855,1333 18.271,1334 15.474,1335 0.442,1336 0.304,1337 9.734,1338 14.273,1339 9.422,1340 7.843,1341 15.883,1342 10.653,1343 14.095,1344 0.294,1345 0.165,1346 14.737,1347 7.932,1348 11.199,1349 0.187,1350 0.093,1351 12.036,1352 5.571,1353 9.464,1354 0.123,1355 0.051,1356 10.405,1357 3.933,1358 6.287,1359 0.079,1360 0.028,1361 7.007,1362 2.274,1363 0.236,1364 102.154,1365 0.206,1366 31.042,1367 0.361,1368 166,1369 557.646,1370 214.722,1371 555.016,1372 756.87,1373 518,1374 191,1375 555.219,1376 235.294,1377 567.087,1378 818.7,1379 533,1380 6.824}
{0 CHEMBL2016592,1 1.573,2 10.903,3 2.923,4 8.543,5 119.559,6 7.821,7 0.657,8 4.101,9 4.23,10 3.719,11 3.607,12 5.232,13 3.615,14 4.618,15 4.796,16 4.078,17 3.984,18 5.735,19 3.974,20 4.819,21 5.026,22 4.112,23 4.116,24 5.856,25 4.08,26 4.835,27 5.062,28 4.038,29 4.087,30 5.863,31 4.023,32 4.829,33 5.07,34 4.012,35 4.04,36 5.852,37 3.988,38 4.756,39 4.974,40 4.048,41 4.035,42 5.78,43 3.988,44 4.821,45 5.042,46 4.047,47 4.093,48 5.823,49 4.041,50 4.903,51 5.128,52 4.044,53 4.149,54 5.89,55 4.068,56 0.057,57 0.883,58 10.054,59 4.055,60 9.08,61 5.379,62 0.371,63 1.374,64 19.62,65 6.947,66 29.118,67 9.254,68 0.417,69 1.613,70 25.255,71 7.955,72 31.875,73 11.253,74 0.346,75 1.615,76 26.029,77 8.639,78 36.007,79 12.595,80 0.487,81 1.568,82 27.031,83 7.679,84 44.278,85 11.551,86 0.363,87 1.513,88 23.76,89 8.196,90 29.063,91 11.691,92 0.419,93 1.583,94 25.663,95 8.093,96 32.228,97 11.622,98 0.336,99 1.647,100 28.321,101 10.206,102 38.143,103 14.424,104 5,105 49,106 0.258,107 0.624,108 0.796,109 0.85,110 0.857,111 0.857,112 3.472,113 0.865,114 -3.73,115 -3.7,116 -3.52,119 41.5,120 1,125 4,142 6,143 2,144 1,145 2,146 3,147 1,150 2,163 1,164 1,165 1,172 5,174 4,175 8,177 2,178 3,180 2,183 7,186 1,187 3,190 1,192 1,195 4,198 2,199 9,202 2,204 4,207 3,209 2,211 3,212 2,217 2,220 1,223 4,224 5,226 1,227 3,229 3,232 2,234 1,236 2,237 7,240 1,245 3,250 5,252 2,253 2,254 1,257 1,258 3,262 4,263 9,271 3,275 1673,276 21.325,277 21.325,278 21.325,279 21.325,280 21.325,281 18.621,282 25.529,283 12.684,284 21.986,285 17.347,286 17.347,287 17.347,288 17.347,289 17.347,290 13.279,291 40.75,292 6.111,293 18.419,294 4.155,295 1.923,296 0.873,297 0.543,298 0.505,299 0.505,300 4.186,304 1,305 1,306 751,307 2.449,311 454.123,315 140.321,318 1.473,319 24.611,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 67,331 338,332 4.449,333 3.212,334 6.502,335 4.047,336 3.091,337 4.338,338 0.86,339 10.196,340 2.969,341 4.401,342 3.014,343 6.187,344 3.906,345 2.928,346 4.133,347 0.8,348 9.246,349 2.867,350 4.119,351 2.964,352 6.146,353 3.74,354 2.814,355 3.692,356 0.4,357 9.068,358 2.596,359 3.74,360 2.673,361 5.543,362 3.429,363 2.49,364 3.097,366 7.507,367 2.334,368 3.629,369 2.4,370 5.249,371 3.215,372 2.283,373 2.958,375 6.566,376 2.129,377 3.396,378 2.275,379 4.979,380 2.977,381 2.033,382 2.686,384 5.855,385 1.911,386 3.118,387 2.081,388 4.676,389 2.655,390 1.733,391 2.427,393 4.803,394 1.604,395 3.072,396 1.854,397 4.414,398 2.597,399 1.674,400 2.273,402 4.358,403 1.563,404 2.903,405 1.618,406 4.367,407 2.586,408 1.618,409 2.074,411 4.235,412 1.528,413 2.871,414 1.45,415 3.933,416 2.391,417 1.397,418 1.946,420 3.133,421 1.387,422 2.657,423 1.388,424 3.616,425 2.141,426 1.212,427 1.726,428 2.997,429 1.123,430 2.203,431 1.256,432 3.491,433 1.952,434 1.045,435 1.176,436 2.591,437 0.946,438 2.184,439 1.184,440 3.247,441 1.927,442 1,443 1.036,445 2.136,446 0.916,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.368,457 0.189,458 2.968,459 0.993,460 0.048,461 0.061,463 0.135,464 0.045,465 14.533,466 0.469,467 0.691,468 0.022,469 45.5,470 1.468,471 23.5,472 0.758,473 22,474 0.71,475 23.23,476 0.749,477 32.267,478 0.609,479 34.184,480 1.103,481 8.938,482 0.288,483 6.215,484 0.2,485 0.062,487 0.337,493 0.986,494 1.451,495 0.744,496 1.094,497 1.023,498 0.911,499 1.093,500 0.969,501 0.838,502 0.886,503 0.731,504 0.846,505 1.245,506 1.106,507 1.03,508 0.924,509 1.058,510 0.938,511 0.823,512 1.153,513 1.002,514 1.102,515 0.927,516 1.077,517 1.072,518 0.991,519 1.023,520 0.854,521 1.192,522 0.899,523 0.728,524 1.039,525 0.887,526 1.039,527 0.591,528 0.994,529 1.084,530 0.983,531 1.066,532 0.952,533 1.014,534 0.983,535 0.876,536 1.117,537 1.005,538 1.171,539 0.875,540 1.126,541 6,542 0.169,543 2.889,544 1.875,545 1.413,546 1.069,547 0.747,548 0.427,549 0.348,550 0.333,551 13195,552 34296,553 2.18,554 41.5,556 14,558 2,559 3,560 3,564 1.743,565 2.09,566 3.404,567 0.908,569 1,573 83.365,574 1.573,575 3.805,576 4.855,577 5.185,578 5.223,579 5.223,580 2.816,581 4.518,582 4.925,583 3.561,584 1656,585 8.639,586 23428,588 1,591 303.58,592 1.215,593 4.907,594 0.171,595 0.006,596 0.059,597 0.038,598 0.031,599 0.024,600 0.016,601 0.009,602 0.008,603 0.009,604 0.371,605 0.33,606 0.88,607 0.415,608 159.48,609 -0.098,610 -0.264,611 0.059,612 -0.086,613 -0.144,614 -0.001,615 0.075,616 0.134,617 0.069,618 0.083,619 0.185,620 0.066,621 -0.172,622 -0.039,623 -0.094,624 0.032,625 -0.14,626 -0.011,627 0.008,628 -0.115,629 -0.06,630 -0.135,631 -0.014,632 -0.115,633 -0.075,634 0.047,635 -0.043,636 0.072,637 -0.163,638 0.035,639 0.156,640 0.009,641 0.049,642 -0.068,643 0.192,644 -0.038,645 -0.108,646 0.074,647 -0.122,648 0.001,649 -0.131,650 -0.046,651 0.011,652 -0.14,653 -0.052,654 -0.157,655 0.019,656 -0.125,657 1.427,658 1.98,659 0.903,660 29.39,661 1.006,662 1.134,663 2.5,664 6.252,665 0.676,666 3.584,667 3.912,668 4.19,669 4.477,670 4.745,671 4.82,672 4.977,673 5.165,674 5.303,675 5.416,676 6.618,677 0.652,678 414.52,679 3.584,680 5.13,681 5.984,682 6.864,683 7.731,684 8.616,685 9.49,686 10.377,687 11.254,688 12.143,689 15.1,693 1,695 1,697 1,699 5,703 2,704 8,705 5,709 7,711 23,722 1,724 1,726 1,731 53,733 23,734 1,735 35,737 57,738 22,739 17,740 2,741 4,746 5,747 6,752 1,761 17,762 5,778 1,781 22,782 9,783 3,784 9,790 8,794 0.8,795 1,805 1,806 2,812 5,816 1,839 1,840 4,844 1,848 31,849 1,854 4,855 1,856 1,859 1,870 1.9,874 1,877 14.833,878 9.867,879 6.694,880 3.096,881 4.196,882 1.524,883 1.029,884 5.329,885 12.21,886 3.861,887 4.494,888 5.101,889 5.721,890 6.323,891 6.615,892 7.035,893 7.503,894 7.916,895 8.217,896 1,897 50,898 11.394,900 4.839,901 7.629,902 21.862,904 17.899,905 2.129,906 66,909 1,910 223.651,911 119.473,912 137.96,914 11,917 119.473,918 234.651,919 137.96,920 8.825,921 13.396,922 89.755,923 118.47,924 55.403,925 6.126,926 200.109,928 223.651,929 257.433,930 11,933 223.651,935 11,937 69.783,938 103.722,939 83.928,941 223.651,942 148.96,943 119.473,946 223.651,947 35.695,948 86.902,949 18.011,950 127.825,951 223.651,952 148.96,953 119.473,955 0.581,956 0.337,957 0.188,958 0.106,959 25,960 10,961 0.07,962 4,963 1,964 1.071,965 4.257,966 292.399,967 0.071,968 28,969 149.58,974 19.615,975 8.421,976 4.265,977 1.998,978 148.96,979 15.439,980 22.51,984 4.687,986 50.908,987 492.083,988 46.5,999 53.327,1000 60.102,1001 0.275,1002 0.664,1003 0.848,1004 0.905,1005 0.912,1006 0.912,1007 5.092,1008 1.674,1009 5.958,1010 4.803,1011 4.595,1012 5.182,1013 1.324,1014 6.753,1015 4.484,1016 6.298,1017 1.618,1018 7.501,1019 4.358,1020 4.111,1021 4.956,1022 0.325,1023 7.573,1024 3.962,1025 7.603,1026 1.397,1027 9.139,1028 4.235,1029 6.172,1030 7.41,1031 0.958,1032 10.679,1033 5.965,1034 8.941,1035 1.212,1036 10.836,1037 3.133,1038 6.494,1039 7.997,1040 0.268,1041 12.32,1042 6.258,1043 10.31,1044 1.045,1045 12.569,1046 2.997,1047 8.013,1048 9.921,1049 0.736,1050 14.919,1051 7.724,1052 11.701,1053 1,1054 14.328,1055 2.591,1056 8.728,1057 10.916,1058 0.188,1059 16.913,1060 8.413,1061 13.11,1062 0.702,1063 16.105,1064 2.136,1065 10.009,1066 12.596,1067 0.57,1068 19.321,1069 9.648,1070 3.091,1071 0.048,1072 17.897,1073 1.626,1074 10.92,1075 13.806,1076 0.125,1077 21.473,1078 10.532,1079 2.928,1080 10.196,1081 19.699,1082 0.135,1083 12.094,1084 15.365,1085 0.439,1086 23.806,1087 11.666,1088 2.814,1089 9.246,1090 21.509,1091 4.338,1092 13.102,1093 16.689,1094 0.082,1095 26.032,1096 12.644,1097 2.49,1098 9.068,1099 23.327,1100 4.133,1101 14.23,1102 18.19,1103 0.334,1104 28.337,1105 13.736,1106 2.283,1107 7.507,1108 25.149,1109 3.692,1110 15.285,1111 19.573,1112 0.054,1113 30.598,1114 14.76,1115 2.033,1116 6.566,1117 26.977,1118 3.097,1119 16.396,1120 21.045,1121 0.252,1122 32.895,1123 15.835,1124 1.733,1125 5.855,1126 28.808,1127 2.958,1128 17.475,1129 22.46,1130 0.035,1131 35.174,1132 16.882,1133 12171,1134 19783,1135 24.156,1136 35.83,1137 52.365,1138 52.464,1139 53.016,1140 52.15,1141 52.136,1142 69.248,1143 4.12,1144 148.904,1145 49.177,1146 5.449,1147 5.212,1148 6.304,1149 5.151,1150 5.091,1151 7.338,1152 1.72,1153 17.054,1154 4.969,1155 10.434,1156 1.496,1157 1.499,1158 1.515,1159 1.49,1160 1.49,1161 1.979,1162 0.118,1163 4.254,1164 1.405,1165 4.079,1166 4.114,1167 4.04,1168 3.997,1169 5.234,1170 4.002,1171 3.966,1172 4.01,1173 3.934,1174 3.831,1175 5.031,1176 3.852,1177 3.789,1178 3.85,1179 3.726,1180 3.579,1181 4.933,1182 3.607,1183 3.641,1184 3.697,1185 3.551,1186 3.454,1187 4.61,1188 3.469,1189 3.441,1190 3.492,1191 3.362,1192 3.316,1193 4.563,1194 3.322,1195 3.175,1196 3.28,1197 3.015,1198 2.941,1199 4.402,1200 2.936,1201 3.111,1202 3.206,1203 2.913,1204 2.933,1205 4.089,1206 2.91,1207 3.008,1208 3.086,1209 2.866,1210 2.859,1211 4.043,1212 2.86,1213 0.127,1214 0.092,1215 0.186,1216 0.116,1217 0.088,1218 4.449,1219 0.124,1220 3.212,1221 0.025,1222 6.502,1223 0.291,1224 4.047,1225 0.085,1226 3.091,1227 4.338,1228 0.86,1229 10.196,1230 2.969,1231 2.033,1232 2.007,1233 2.112,1234 2.129,1235 1.21,1236 2.124,1237 1.89,1238 1.851,1239 1.971,1240 2.056,1241 1.198,1242 2.034,1243 1.712,1244 1.654,1245 1.897,1246 1.945,1247 1.025,1248 1.93,1249 1.573,1250 1.52,1251 1.713,1252 1.787,1253 0.825,1254 1.767,1255 1.415,1256 1.37,1257 1.57,1258 1.572,1259 0.752,1260 1.575,1261 1.153,1262 1.064,1263 1.513,1264 1.443,1265 0.622,1266 1.467,1267 1.15,1268 1.05,1269 1.465,1270 1.376,1271 0.408,1272 1.429,1273 0.984,1274 0.926,1275 1.209,1276 1.222,1277 0.26,1278 1.225,1279 4.263,1281 5.587,1283 7.114,1285 8.73,1287 10.391,1289 1.893,1293 5.734,1295 2.763,1296 3.38,1297 5.48,1300 2.115,1305 34.574,1306 83.365,1307 201.652,1308 257.315,1309 274.825,1310 276.825,1311 276.825,1312 37.868,1313 8.014,1314 114.97,1315 114.97,1316 30,1317 12.675,1318 4.585,1319 3.644,1320 43.329,1321 121,1322 125,1323 0.17,1324 210.984,1325 351.51,1326 506.561,1327 33750,1329 21.209,1330 0.684,1331 0.552,1332 21.209,1333 17.116,1334 15.153,1335 0.433,1336 0.288,1337 9.915,1338 14.486,1339 9.708,1340 8.008,1341 15.153,1342 10.087,1343 13.77,1344 0.281,1345 0.149,1346 13.77,1347 7.307,1348 11.612,1349 0.179,1350 0.079,1351 11.612,1352 5.145,1353 10.112,1354 0.116,1355 0.041,1356 10.112,1357 3.565,1358 8.377,1359 0.073,1360 0.021,1361 8.377,1362 2.379,1363 0.263,1364 95.323,1365 0.203,1366 28.848,1367 0.479,1368 168,1369 481.251,1370 186.365,1371 469.795,1372 660.39,1373 444,1374 198,1375 503.932,1376 216.45,1377 510.312,1378 748.6,1379 481,1380 8.097}
{0 CHEMBL2017647,1 1.857,2 8.217,3 2.822,4 7.962,5 91.908,6 9.401,7 0.44,8 3.73,9 3.822,10 3.536,11 3.37,12 4.935,13 3.331,14 4.25,15 4.382,16 3.947,17 3.771,18 5.42,19 3.708,20 4.467,21 4.626,22 4.074,23 3.929,24 5.586,25 3.829,26 4.458,27 4.609,28 4.041,29 3.975,30 5.61,31 3.85,32 4.486,33 4.644,34 4.005,35 3.92,36 5.758,37 3.826,38 4.468,39 4.628,40 3.892,41 3.758,42 5.976,43 3.711,44 4.419,45 4.614,46 3.793,47 3.598,48 5.784,49 3.51,50 4.31,51 4.562,52 3.426,53 3.305,54 5.583,55 3.161,56 0.078,57 0.529,58 5.084,59 3.226,60 14.097,61 3.491,62 0.291,63 0.86,64 12.606,65 5.807,66 31.414,67 6.168,68 0.424,69 1.043,70 21.095,71 7.983,72 40.038,73 8.507,74 0.244,75 1.108,76 25.061,77 9.331,78 29.945,79 9.959,80 0.27,81 1.134,82 22.497,83 8.981,84 31.553,85 9.694,86 0.371,87 1.091,88 15.377,89 6.46,90 89.125,91 6.665,92 0.49,93 0.941,94 19.904,95 6.296,96 96.806,97 6.371,98 0.629,99 0.738,100 21.647,101 6.788,102 85.936,103 8.467,104 21,105 35,106 0.333,107 0.702,108 0.77,109 0.79,110 0.79,111 0.79,112 3.19,113 0.992,114 -3.07,115 -3.07,116 -2.95,119 43.2,125 4,142 4,143 3,144 1,152 1,153 1,158 2,163 1,164 1,165 1,172 6,175 3,177 1,178 1,183 11,186 1,187 4,192 2,195 9,197 2,198 1,199 5,204 2,207 5,209 2,211 1,212 8,214 1,215 1,217 2,220 3,222 2,223 1,224 7,226 1,227 1,229 2,232 1,234 2,236 1,237 1,245 1,249 1,250 5,252 1,253 1,255 1,260 1,263 2,275 710,276 15.56,277 15.56,278 15.56,279 15.56,280 15.56,281 14.013,282 16.494,283 9.168,284 16.097,285 12.271,286 12.271,287 12.271,288 12.271,289 12.271,290 9.785,291 17.91,292 4.243,293 13.225,294 3.353,295 1.297,296 0.919,297 0.811,298 0.811,299 0.811,300 3.867,301 1,303 1,304 1,305 1,306 400,307 2.739,310 63.423,311 147.266,318 1.221,319 27.633,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.833,331 189,332 4.693,333 4.096,334 7.045,335 4.285,336 3.332,337 4.434,338 2.035,339 12.126,340 3.185,341 4.007,342 3.563,343 6.222,344 3.653,345 2.718,346 3.568,347 0.98,348 9.145,349 2.525,350 3.836,351 3.194,352 5.665,353 3.44,354 2.486,355 3.125,356 0.86,357 7.286,358 2.372,359 3.59,360 2.955,361 5.247,362 3.169,363 2.222,364 2.809,365 0.8,366 6.311,367 2.068,368 3.402,369 2.756,370 4.943,371 2.893,372 1.977,373 2.393,375 5.604,376 1.741,377 3.04,378 2.318,379 4.298,380 2.39,381 1.515,382 1.841,384 3.697,385 1.305,386 2.654,387 1.963,388 3.974,389 2.121,390 1.179,391 1.641,393 2.873,394 1.077,395 2.5,396 1.658,397 3.527,398 2,399 1,400 1.5,402 2.514,403 1,404 2.455,405 1.256,406 3.414,407 1.952,408 1,409 1.121,411 2.275,412 0.946,413 2.155,414 1.164,415 3.247,416 1.795,417 0.935,418 1,420 2.136,421 0.785,422 2,423 1,424 3.002,425 1.331,426 0.421,427 0.753,428 0.719,429 0.374,430 1.192,431 0.515,432 2.466,433 0.684,434 -0.174,435 -0.232,436 -0.354,437 -0.123,438 0.66,439 0.144,440 2.365,441 0.294,442 -0.613,443 -0.685,445 -1.386,446 -0.536,447 0.517,448 -0.034,449 2.15,450 0.072,451 -0.874,452 -1,454 -2,455 -0.713,456 0.5,457 -0.36,458 2,460 -1,461 -1.081,463 -2.135,464 -0.846,465 11.414,466 0.496,467 0.559,468 0.024,469 29.75,470 1.293,471 15,472 0.652,473 14.75,474 0.641,475 19.076,476 0.829,477 23.986,478 0.648,479 20.888,480 0.908,481 5.748,482 0.25,483 5.365,484 0.233,485 0.162,487 0.342,493 0.764,494 1.075,495 0.608,496 0.8,497 0.588,498 0.78,499 1.008,500 0.887,501 0.722,502 0.735,503 0.481,504 0.75,505 1.02,506 0.864,507 0.946,508 0.854,509 0.801,510 0.846,511 0.596,512 1.185,513 1.242,514 1.38,515 0.709,516 1.081,517 0.558,518 1.314,519 0.977,520 1.351,521 0.761,522 1.1,523 1.21,524 1.31,525 0.906,526 1.082,527 1.668,528 1.164,529 1.559,530 1.014,531 0.882,532 0.803,533 2.253,534 1.092,535 0.723,536 0.767,537 0.718,538 0.849,539 0.868,540 1.038,541 4,542 0.025,543 2.667,544 1.979,545 1.928,546 1.098,547 0.589,548 0.343,549 0.122,550 0.062,551 4788,552 17321,553 2.041,554 37.8,556 12,559 2,564 1.667,565 1.89,566 2.994,567 0.364,568 1,569 1,571 1,573 68.692,574 1.857,575 3.912,576 4.291,577 4.399,578 4.399,579 4.399,580 2.496,581 4.089,582 4.492,583 3.116,584 788.409,585 7.788,586 8675.6,587 1,588 1,589 1,590 1,591 192.75,592 1.478,593 4.443,594 0.16,595 0.008,596 0.076,597 0.053,598 0.051,599 0.029,600 0.018,601 0.015,602 0.009,603 0.01,604 0.43,605 0.5,606 1,607 0.942,608 104.673,609 -0.086,610 -0.003,611 0.021,612 0.053,613 -0.028,614 0.046,615 -0.093,616 0.145,617 0.064,618 0.201,619 0.078,620 0.141,621 -0.098,622 0.135,623 0.026,624 0.167,625 -0.059,626 0.115,627 0.02,628 -0.138,629 -0.139,630 -0.179,631 0.018,632 -0.064,633 0.116,634 -0.268,635 -0.077,636 -0.266,637 0.084,638 -0.123,639 -0.168,640 -0.223,641 -0.205,642 -0.271,643 -0.096,644 -0.336,645 -0.293,646 -0.005,647 -0.051,648 -0.002,649 -0.464,650 -0.214,651 0.423,652 0.06,653 0.223,654 0.029,655 0.234,656 0.03,657 2.198,658 4.88,659 0.739,660 17.353,661 1.018,662 1.115,663 1.837,664 3.376,665 0.73,666 3.258,667 3.584,668 3.892,669 4.205,670 4.466,671 4.533,672 4.595,673 4.654,674 4.575,675 4.443,676 4.94,677 0.694,678 347.85,679 3.258,680 4.796,681 5.659,682 6.555,683 7.451,684 8.358,685 9.266,686 10.179,687 11.092,688 12.008,689 8.1,695 1,696 1,698 1,704 4,708 1,709 6,711 11,713 1,717 1,726 1,730 1,731 37,733 13,734 1,735 25,737 39,738 16,739 10,740 2,741 4,742 1,746 3,747 3,748 1,760 1,761 11,762 4,766 1,771 1,775 1,777 1,778 1,781 14,782 5,783 2,784 7,785 2,790 3,794 1,795 2,811 1,812 2,839 1,840 3,842 1,845 1,848 23,849 1,854 4,856 1,859 1,861 1,865 1,866 1,868 1,869 1,870 5.4,873 1,874 1,877 12.167,878 6.71,879 5.167,880 2.141,881 2.165,882 1.317,883 0.988,884 4.859,885 8.988,886 3.541,887 4.09,888 4.706,889 5.33,890 5.859,891 6.2,892 6.466,893 6.816,894 6.987,895 7.011,896 0.833,897 37,898 8.481,900 3.638,901 7.961,902 15.909,904 13.054,905 2.461,906 56.611,910 141.253,911 119.231,912 67.081,913 39.149,914 36.145,916 31.278,917 87.953,918 216.547,919 67.081,921 46.293,922 37.905,923 57.451,924 48.171,925 1.358,926 172.531,927 39.149,928 141.253,929 155.034,930 36.145,931 70.426,933 141.253,934 25.145,935 11,937 78.282,938 76.751,939 39.149,940 31.278,941 141.253,942 103.226,943 158.379,946 141.253,947 64.724,948 41.029,949 16.602,950 139.25,951 141.253,952 103.226,953 158.379,955 0.576,956 0.346,957 0.2,958 0.123,959 17,960 8,961 0.077,962 3,964 1,965 3.363,966 189.819,968 17,969 96.042,970 1,974 16.255,975 6.876,976 3.204,978 103.226,979 7.047,983 1.265,984 3.586,986 32.897,987 402.858,988 33.5,993 11.88,997 -0.532,999 37.662,1000 41.269,1001 0.356,1002 0.751,1003 0.824,1004 0.844,1005 0.844,1006 0.844,1007 4.794,1008 1,1009 5.652,1010 2.873,1011 4.263,1012 4.775,1013 2.613,1014 6.509,1015 4.126,1016 6.007,1017 1,1018 7.238,1019 2.514,1020 3.892,1021 4.605,1022 0.325,1023 7.542,1024 3.695,1025 7.322,1026 0.935,1027 8.93,1028 2.275,1029 5.883,1030 6.96,1031 3.655,1032 10.696,1033 5.647,1034 8.674,1035 0.421,1036 10.688,1037 2.136,1038 6.365,1039 7.674,1040 0.268,1041 12.611,1042 6.079,1043 10.064,1044 -0.174,1045 12.488,1046 0.719,1047 7.836,1048 9.495,1049 4.982,1050 15.305,1051 7.515,1052 11.48,1053 -0.613,1054 14.319,1055 -0.354,1056 8.705,1057 10.613,1058 0.188,1059 17.57,1060 8.339,1061 12.918,1062 -0.874,1063 16.172,1064 -1.386,1065 9.985,1066 12.227,1067 6.382,1068 20.121,1069 9.582,1070 3.332,1071 -1,1072 18.042,1073 -2,1074 11.033,1075 13.539,1076 0.125,1077 22.524,1078 10.587,1079 2.718,1080 12.126,1081 19.926,1082 -2.135,1083 12.246,1084 15.071,1085 7.798,1086 25.032,1087 11.762,1088 2.486,1089 9.145,1090 21.821,1091 4.434,1092 13.376,1093 16.474,1094 0.082,1095 27.489,1096 12.849,1097 2.222,1098 7.286,1099 23.725,1100 3.568,1101 14.571,1102 17.975,1103 9.218,1104 29.984,1105 14.004,1106 1.977,1107 6.311,1108 25.637,1109 3.125,1110 15.737,1111 19.421,1112 0.054,1113 32.463,1114 15.127,1115 1.515,1116 5.604,1117 27.554,1118 2.809,1119 16.929,1120 20.911,1121 10.638,1122 34.956,1123 16.278,1124 1.179,1125 3.697,1126 29.477,1127 2.393,1128 18.113,1129 22.378,1130 0.035,1131 37.444,1132 17.419,1133 4773,1134 9169,1135 16.414,1136 27,1137 39.185,1138 41.323,1139 39.572,1140 37.731,1141 37.569,1142 48.372,1143 9.349,1144 109.369,1145 34.755,1146 5.693,1147 6.096,1148 6.847,1149 5.425,1150 5.332,1151 7.434,1152 4.069,1153 19.602,1154 5.185,1155 11.711,1156 1.567,1157 1.653,1158 1.583,1159 1.509,1160 1.503,1161 1.935,1162 0.374,1163 4.375,1164 1.39,1165 4.041,1166 4.05,1167 4.294,1168 4.042,1169 7.437,1170 4.002,1171 3.805,1172 3.84,1173 3.962,1174 3.748,1175 6.82,1176 3.719,1177 3.656,1178 3.683,1179 3.593,1180 3.478,1181 4.953,1182 3.486,1183 3.336,1184 3.384,1185 3.336,1186 3.08,1187 4.884,1188 3.125,1189 3.111,1190 3.206,1191 3.271,1192 2.941,1193 4.646,1194 2.91,1195 2.966,1196 3.02,1197 3.119,1198 2.819,1199 4.468,1200 2.801,1201 2.883,1202 2.925,1203 2.866,1204 2.754,1205 4.183,1206 2.74,1207 2.854,1208 2.92,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.188,1214 0.164,1215 0.282,1216 0.171,1217 0.133,1218 4.693,1219 0.177,1220 4.096,1221 0.081,1222 7.045,1223 0.485,1224 4.285,1225 0.127,1226 3.332,1227 4.434,1228 2.035,1229 12.126,1230 3.185,1231 1.92,1232 1.903,1233 1.994,1234 1.984,1235 1.21,1236 1.992,1237 1.725,1238 1.679,1239 1.912,1240 1.942,1241 1.122,1242 1.943,1243 1.508,1244 1.5,1245 1.551,1246 1.672,1247 0.825,1248 1.645,1249 1.376,1250 1.368,1251 1.513,1252 1.526,1253 0.661,1254 1.512,1255 1.153,1256 1.064,1257 1.387,1258 1.376,1259 0.56,1260 1.429,1261 0.902,1262 0.86,1263 1.181,1264 1.143,1265 0.218,1266 1.159,1267 0.886,1268 0.821,1269 1.083,1270 1.062,1271 0.172,1272 1.107,1273 0.784,1274 0.742,1275 0.961,1276 1.028,1278 1.022,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.844,1285 8.398,1286 7.066,1287 10.069,1290 5.926,1293 5.541,1295 2.58,1297 5.351,1300 2.068,1303 9.662,1304 2.237,1305 25.669,1306 68.692,1307 144.75,1308 158.75,1309 162.75,1310 162.75,1311 162.75,1312 43.922,1313 6.822,1314 79.35,1315 107.59,1316 17,1317 12.52,1318 3.807,1319 3.248,1320 36.406,1321 66,1322 75,1323 0.276,1324 166.488,1325 289.66,1326 397.99,1327 6631,1328 2.7,1329 16.397,1330 0.713,1331 0.599,1332 17.251,1333 13.785,1334 11.113,1335 0.445,1336 0.331,1337 7.071,1338 9.998,1339 6.833,1340 5.579,1341 11.81,1342 8.263,1343 9.875,1344 0.282,1345 0.186,1346 10.872,1347 6.504,1348 8.271,1349 0.172,1350 0.108,1351 9.522,1352 5.174,1353 7.015,1354 0.106,1355 0.059,1356 8.2,1357 3.881,1358 6.054,1359 0.07,1360 0.032,1361 7.205,1362 2.765,1363 0.41,1364 76.733,1365 0.247,1366 21.938,1367 0.834,1368 120,1369 389.137,1370 170.927,1371 426.576,1372 560.98,1373 396,1374 143,1375 357.949,1376 189.242,1377 389.572,1378 573.34,1379 366,1380 6.119}
{0 CHEMBL2017648,1 1.839,2 8.28,3 3.2,4 10.237,5 98.485,6 9.535,7 0.571,8 3.807,9 3.905,10 3.633,11 3.435,12 4.981,13 3.406,14 4.329,15 4.471,16 4.031,17 3.841,18 5.42,19 3.789,20 4.494,21 4.666,22 4.1,23 3.974,24 5.52,25 3.87,26 4.48,27 4.633,28 4.157,29 4.04,30 5.562,31 3.919,32 4.53,33 4.687,34 4.107,35 4.019,36 5.682,37 3.929,38 4.53,39 4.697,40 4.042,41 3.896,42 5.858,43 3.857,44 4.515,45 4.711,46 4.011,47 3.803,48 5.788,49 3.741,50 4.489,51 4.733,52 3.635,53 3.596,54 5.578,55 3.47,56 0.087,57 0.616,58 4.953,59 3.221,60 9.779,61 3.478,62 0.309,63 1.003,64 12.635,65 5.72,66 20.644,67 5.835,68 0.386,69 1.13,70 20.814,71 7.855,72 26.476,73 8.67,74 0.231,75 1.203,76 23.287,77 8.936,78 19.455,79 9.682,80 0.242,81 1.278,82 24.526,83 9.378,84 22.345,85 9.8,86 0.312,87 1.273,88 14.519,89 6.385,90 51.161,91 6.779,92 0.43,93 1.181,94 17.893,95 5.841,96 55.978,97 6.012,98 0.539,99 1.002,100 20.287,101 6.884,102 53.93,103 8.59,104 6,105 39,106 0.323,107 0.704,108 0.783,109 0.801,110 0.801,111 0.801,112 3.269,113 0.963,114 -4.49,115 -4.41,116 -4.16,119 43.6,125 4,142 4,143 3,144 1,149 1,152 1,153 1,158 1,160 1,168 1,172 6,174 1,175 3,178 1,183 11,186 1,187 6,195 9,198 1,199 7,204 2,207 5,211 2,212 10,217 2,220 3,223 2,224 9,227 1,229 2,232 1,236 1,237 1,240 1,242 2,245 1,249 2,250 6,263 2,266 1,268 1,275 908,276 17.422,277 17.422,278 17.422,279 17.422,280 17.422,281 15.461,282 13.67,283 10.389,284 18.12,285 13.791,286 13.791,287 13.791,288 13.791,289 13.791,290 10.755,291 15.558,292 4.858,293 14.991,294 3.446,295 1.272,296 0.821,297 0.718,298 0.718,299 0.718,300 3.966,301 1,303 1,304 1,305 1,306 452,307 2.236,310 132.307,311 157.955,318 1.194,319 21.376,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 53.833,331 207,332 4.704,333 4.094,334 7.061,335 4.292,336 3.344,337 4.456,338 2.035,339 12.204,340 3.181,341 4.019,342 3.335,343 6.255,344 3.666,345 2.739,346 3.591,347 0.86,348 9.285,349 2.529,350 3.993,351 2.977,352 5.856,353 3.534,354 2.592,355 3.509,356 0.8,357 8.049,358 2.427,359 3.621,360 2.873,361 5.253,362 3.228,363 2.313,364 2.898,366 6.399,367 2.096,368 3.459,369 2.515,370 4.953,371 2.894,372 1.977,373 2.396,375 5.606,376 1.751,377 3.179,378 2.317,379 4.548,380 2.558,381 1.651,382 2.37,384 4.372,385 1.476,386 2.866,387 1.955,388 4.283,389 2.39,390 1.514,391 1.765,393 3.696,394 1.305,395 2.588,396 1.659,397 3.562,398 2,399 1,400 1.5,402 2.517,403 1,404 2.5,405 1.256,406 3.414,407 1.952,408 1,409 1.332,411 2.275,412 0.946,413 2.259,414 1.167,415 3.383,416 1.811,417 0.966,418 1.121,420 2.136,421 0.81,422 2.147,423 1,424 3.247,425 1.794,426 0.872,427 1,428 2.086,429 0.784,430 2.118,431 0.892,432 3.002,433 1.554,434 0.618,435 0.927,436 1.372,437 0.577,438 2,439 0.618,440 3,441 1.298,442 0.404,443 0.719,445 0.71,446 0.355,447 1.189,448 0.43,449 2.502,450 0.684,451 -0.174,452 -0.232,454 -0.353,455 -0.123,456 0.655,457 -0.008,458 2.372,459 0.294,460 -0.613,461 -0.684,463 -1.386,464 -0.536,465 12.381,466 0.495,467 0.483,468 0.019,469 34.25,470 1.37,471 17.5,472 0.7,473 16.75,474 0.67,475 20.303,476 0.812,477 25.419,478 0.652,479 23.073,480 0.923,481 6.557,482 0.262,483 5.718,484 0.229,485 0.09,487 0.315,493 0.771,494 1.131,495 0.585,496 0.83,497 0.486,498 0.787,499 1.208,500 0.855,501 0.749,502 0.711,503 0.626,504 0.737,505 1.005,506 0.853,507 0.957,508 0.851,509 0.711,510 0.848,511 0.558,512 1.15,513 1.166,514 1.308,515 0.741,516 1.02,517 0.547,518 1.306,519 1.106,520 1.438,521 0.773,522 1.07,523 1.033,524 1.331,525 0.845,526 1.054,527 1.775,528 1.108,529 1.323,530 1.099,531 0.841,532 0.801,533 1.854,534 1.069,535 0.814,536 0.881,537 0.831,538 0.958,539 0.809,540 1.215,541 3.5,542 0.025,543 2.667,544 1.757,545 1.768,546 1.018,547 0.537,548 0.328,549 0.17,550 0.094,551 6406,552 21339,553 2.154,554 35.9,556 12,558 1,559 1,564 1.691,565 2.055,566 3.007,567 -0.238,568 1,569 1,573 71.731,574 1.839,575 4.013,576 4.465,577 4.567,578 4.567,579 4.567,580 2.478,581 3.924,582 4.612,583 3.148,584 944.549,585 8.038,586 11084.5,587 1,588 1,590 1,591 206.131,592 1.26,593 4.592,594 0.125,595 0.008,596 0.068,597 0.045,598 0.042,599 0.023,600 0.013,601 0.01,602 0.008,603 0.009,604 0.353,605 0.33,606 1,607 0.663,608 117.023,609 -0.015,610 -0.06,611 0.034,612 0.004,613 0.072,614 0.008,615 -0.174,616 0.192,617 0.029,618 0.205,619 -0.043,620 0.123,621 -0.087,622 0.12,623 0.038,624 0.191,625 -0.024,626 0.139,627 0.051,628 -0.119,629 -0.045,630 -0.091,631 0.041,633 0.089,634 -0.249,635 -0.127,636 -0.278,637 0.069,638 -0.085,639 -0.129,640 -0.236,641 -0.172,642 -0.26,643 -0.169,644 -0.29,645 -0.255,646 -0.017,647 -0.081,648 -0.051,649 -0.307,650 -0.242,651 0.208,652 0.029,653 0.019,654 -0.126,655 0.095,656 -0.204,657 1.078,658 3.881,659 0.88,660 19.482,661 1.017,662 1.119,663 3.255,664 10.597,665 0.738,666 3.367,667 3.689,668 4.025,669 4.357,670 4.595,671 4.745,672 4.905,673 5.017,674 5.017,675 4.92,676 5.135,677 0.704,678 371.88,679 3.367,680 4.905,681 5.778,682 6.673,683 7.573,684 8.483,685 9.395,686 10.312,687 11.23,688 12.152,689 12.8,695 1,697 1,698 1,699 2,704 5,705 2,706 1,708 1,709 7,711 16,713 1,726 1,730 1,731 39,733 17,734 1,735 28,737 42,738 17,739 12,740 2,741 4,746 4,747 4,748 1,760 1,761 12,762 4,777 1,778 1,781 14,782 5,783 1,784 8,785 2,790 5,794 1,795 1,811 2,812 2,839 1,840 4,842 1,845 1,848 25,854 4,856 1,859 1,861 1,865 1,866 1,867 1,868 1,869 1,870 2.6,874 1,877 12.167,878 7.193,879 5.583,880 2.316,881 2.571,882 1.358,883 1.016,884 4.712,885 9.743,886 3.664,887 4.234,888 4.883,889 5.529,890 6.011,891 6.453,892 6.874,893 7.294,894 7.558,895 7.642,896 0.833,897 39,898 9.181,900 3.921,901 7.744,902 17.525,904 14.489,905 2.244,906 56.111,910 153.024,911 125.472,912 84.295,913 39.149,914 11,916 31.278,917 94.195,918 203.173,919 84.295,921 13.396,922 37.905,923 81.44,924 67.162,925 1.358,926 172.531,927 39.149,928 153.024,929 178.49,930 11,931 70.426,933 155.352,935 11,937 70.667,938 72.047,939 72.597,940 31.278,941 153.024,942 95.295,943 164.621,946 153.024,947 62.347,948 49.648,949 33.265,950 114.656,951 153.024,952 95.295,953 164.621,955 0.572,956 0.347,957 0.204,958 0.116,959 20,960 8,961 0.071,962 3,964 1,965 3.628,966 220.972,968 22,969 108.096,970 1,974 16.529,975 7.127,976 3.155,978 78.632,979 9.036,980 8.509,981 2.75,983 1.544,984 5.49,986 16.663,987 412.94,988 38,999 39.654,1000 43.641,1001 0.348,1002 0.759,1003 0.845,1004 0.864,1005 0.864,1006 0.864,1007 4.905,1008 1,1009 5.753,1010 3.696,1011 4.369,1012 4.92,1013 2.461,1014 6.603,1015 4.214,1016 6.109,1017 1,1018 7.326,1019 2.517,1020 3.892,1021 4.62,1022 0.325,1023 7.603,1024 3.654,1025 7.416,1026 0.966,1027 9.008,1028 2.275,1029 5.979,1030 7.113,1031 3.606,1032 10.777,1033 5.708,1034 8.764,1035 0.872,1036 10.758,1037 2.136,1038 6.415,1039 7.764,1040 0.268,1041 12.685,1042 6.08,1043 10.15,1044 0.618,1045 12.554,1046 2.086,1047 7.919,1048 9.634,1049 4.97,1050 15.381,1051 7.551,1052 11.564,1053 0.404,1054 14.383,1055 1.372,1056 8.768,1057 10.721,1058 0.188,1059 17.643,1060 8.347,1061 13.001,1062 -0.174,1063 16.234,1064 0.71,1065 10.059,1066 12.349,1067 6.379,1068 20.197,1069 9.601,1070 3.344,1071 -0.613,1072 18.103,1073 -0.353,1074 11.098,1075 13.645,1076 0.125,1077 22.6,1078 10.592,1079 2.739,1080 12.204,1081 19.987,1082 -1.386,1083 12.314,1084 15.18,1085 7.797,1086 25.11,1087 11.769,1088 2.592,1089 9.285,1090 21.881,1091 4.456,1092 13.44,1093 16.575,1094 0.082,1095 27.57,1096 12.848,1097 2.313,1098 8.049,1099 23.784,1100 3.591,1101 14.636,1102 18.075,1103 9.217,1104 30.07,1105 14.002,1106 1.977,1107 6.399,1108 25.695,1109 3.509,1110 15.801,1111 19.519,1112 0.054,1113 32.553,1114 15.121,1115 1.651,1116 5.606,1117 27.612,1118 2.898,1119 16.994,1120 21.008,1121 10.638,1122 35.051,1123 16.27,1124 1.514,1125 4.372,1126 29.534,1127 2.396,1128 18.178,1129 22.475,1130 0.035,1131 37.544,1132 17.408,1133 6115,1134 11283,1135 19.186,1136 28.796,1137 43.622,1138 44.944,1139 43.205,1140 42.17,1141 41.978,1142 55.166,1143 7.389,1144 121.415,1145 38.475,1146 5.704,1147 6.094,1148 6.862,1149 5.45,1150 5.344,1151 7.456,1152 4.069,1153 19.732,1154 5.181,1155 8.897,1156 1.558,1157 1.605,1158 1.543,1159 1.506,1160 1.499,1161 1.97,1162 0.264,1163 4.336,1164 1.374,1165 4.06,1166 4.081,1167 4.302,1168 4.05,1169 6.82,1170 4.012,1171 3.823,1172 3.874,1173 3.963,1174 3.754,1175 5.132,1176 3.73,1177 3.771,1178 3.833,1179 3.726,1180 3.512,1181 4.941,1182 3.546,1183 3.582,1184 3.613,1185 3.568,1186 3.399,1187 4.646,1188 3.421,1189 3.111,1190 3.206,1191 3.321,1192 2.941,1193 4.471,1194 2.91,1195 3.036,1196 3.079,1197 3.181,1198 2.899,1199 4.186,1200 2.9,1201 2.886,1202 2.928,1203 2.866,1204 2.819,1205 3.72,1206 2.77,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.168,1214 0.146,1215 0.252,1216 0.153,1217 0.119,1218 4.704,1219 0.159,1220 4.094,1221 0.073,1222 7.061,1223 0.436,1224 4.292,1225 0.114,1226 3.344,1227 4.456,1228 2.035,1229 12.204,1230 3.181,1231 1.92,1232 1.903,1233 1.994,1234 1.983,1235 1.21,1236 1.991,1237 1.725,1238 1.679,1239 1.912,1240 1.941,1241 1.124,1242 1.942,1243 1.502,1244 1.487,1245 1.526,1246 1.678,1247 0.825,1248 1.627,1249 1.37,1250 1.361,1251 1.513,1252 1.598,1253 0.685,1254 1.583,1255 1.296,1256 1.194,1257 1.482,1258 1.486,1259 0.578,1260 1.48,1261 1.153,1262 1.064,1263 1.293,1264 1.376,1265 0.347,1266 1.429,1267 0.886,1268 0.825,1269 1.181,1270 1.113,1271 0.218,1272 1.107,1273 0.864,1274 0.821,1275 1.052,1276 1.062,1277 0.18,1278 1.099,1279 4.043,1281 5.361,1282 3.045,1283 6.882,1284 5.352,1285 8.497,1286 7.445,1287 10.165,1290 6.025,1295 2.857,1297 5.438,1300 2.197,1303 9.881,1304 2.386,1305 27.47,1306 71.731,1307 156.521,1308 174.131,1309 178.131,1310 178.131,1311 178.131,1312 34.618,1313 7.172,1314 77.83,1315 106.07,1316 22,1317 12.66,1318 4.17,1319 3.459,1320 35.44,1321 74,1322 85,1323 0.234,1324 175.352,1325 294.27,1326 419.618,1327 10181,1328 2.6,1329 17.225,1330 0.689,1331 0.591,1332 18.079,1333 14.771,1334 12.275,1335 0.438,1336 0.321,1337 7.771,1338 11.063,1339 7.541,1340 6.161,1341 12.972,1342 8.988,1343 10.675,1344 0.274,1345 0.179,1346 11.673,1347 6.963,1348 9.42,1349 0.171,1350 0.101,1351 10.602,1352 5.549,1353 8.191,1354 0.106,1355 0.055,1356 9.454,1357 4.272,1358 6.614,1359 0.067,1360 0.031,1361 7.87,1362 3.014,1363 0.348,1364 84.246,1365 0.228,1366 23.56,1367 0.709,1368 134,1369 415.713,1370 186.626,1371 454.587,1372 613.91,1373 426,1374 161,1375 412.102,1376 209.772,1377 443.007,1378 652.83,1379 417,1380 7.137}
{0 CHEMBL2017649,1 1.78,2 8.28,3 4.21,4 17.727,5 101.779,6 9.272,7 0.571,8 3.821,9 3.918,10 3.627,11 3.47,12 4.97,13 3.431,14 4.344,15 4.483,16 4.024,17 3.877,18 5.399,19 3.815,20 4.532,21 4.711,22 4.094,23 4.014,24 5.535,25 3.897,26 4.507,27 4.661,28 4.154,29 4.079,30 5.56,31 3.946,32 4.553,33 4.709,34 4.1,35 4.063,36 5.67,37 3.962,38 4.56,39 4.724,40 4.033,41 3.963,42 5.84,43 3.904,44 4.571,45 4.766,46 4.008,47 3.889,48 5.801,49 3.799,50 4.566,51 4.82,52 3.622,53 3.681,54 5.574,55 3.527,56 0.066,57 0.596,58 5.611,59 3.387,60 9.364,61 3.836,62 0.225,63 0.981,64 13.448,65 6.029,66 17.135,67 6.421,68 0.352,69 1.151,70 22.148,71 8.382,72 25.721,73 9.435,74 0.2,75 1.202,76 25.69,77 9.595,78 17.727,79 10.522,80 0.184,81 1.267,82 25.256,83 9.79,84 19.919,85 10.507,86 0.238,87 1.275,88 15.804,89 6.981,90 44.234,91 7.849,92 0.353,93 1.224,94 20,95 6.946,96 54.965,97 7.935,98 0.424,99 1.088,100 23.25,101 8.266,102 50.518,103 10.694,104 6,105 39,106 0.311,107 0.68,108 0.774,109 0.807,110 0.807,111 0.807,112 3.269,113 0.978,114 -3.87,115 -3.82,116 -3.63,119 45,125 4,142 5,143 3,144 1,146 1,151 1,152 1,153 1,158 1,168 1,172 6,175 4,180 1,183 11,186 1,187 4,195 11,198 1,199 5,204 2,207 7,211 1,212 9,217 2,220 5,223 1,224 8,227 1,229 2,232 3,236 1,237 1,240 1,242 2,245 1,249 1,250 6,258 1,263 2,266 1,268 1,275 908,276 17.422,277 17.422,278 17.422,279 17.422,280 17.422,281 15.461,282 13.67,283 10.389,284 18.054,285 13.791,286 13.791,287 13.791,288 13.791,289 13.791,290 10.755,291 15.558,292 4.858,293 14.883,294 3.542,295 1.428,296 0.89,297 0.7,298 0.7,299 0.7,300 3.966,301 1,304 1,305 1,306 452,307 2.236,310 132.307,311 157.955,318 1.194,319 19.388,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.333,331 207,332 4.704,333 4.094,334 7.061,335 4.294,336 3.344,337 4.456,338 2.035,339 12.204,340 3.188,341 4.019,342 3.335,343 6.255,344 3.671,345 2.739,346 3.591,347 0.86,348 9.285,349 2.545,350 3.993,351 2.977,352 5.856,353 3.55,354 2.592,355 3.509,356 0.8,357 8.049,358 2.472,359 3.621,360 2.873,361 5.253,362 3.233,363 2.313,364 2.898,366 6.399,367 2.104,368 3.459,369 2.515,370 4.953,371 2.894,372 1.977,373 2.396,375 5.606,376 1.753,377 3.179,378 2.317,379 4.548,380 2.572,381 1.651,382 2.37,384 4.372,385 1.496,386 2.866,387 1.955,388 4.283,389 2.39,390 1.514,391 1.765,393 3.696,394 1.305,395 2.588,396 1.659,397 3.562,398 2,399 1,400 1.5,402 2.517,403 1,404 2.5,405 1.256,406 3.414,407 1.952,408 1,409 1.332,411 2.275,412 0.946,413 2.259,414 1.167,415 3.383,416 1.826,417 0.966,418 1.121,420 2.136,421 0.822,422 2.147,423 1,424 3.247,425 1.795,426 0.872,427 1,428 2.086,429 0.784,430 2.118,431 0.892,432 3.002,433 1.604,434 0.618,435 0.927,436 1.372,437 0.609,438 2,439 0.618,440 3,441 1.303,442 0.404,443 0.719,445 0.71,446 0.356,447 1.189,448 0.43,449 2.502,450 0.684,451 -0.174,452 -0.232,454 -0.353,455 -0.123,456 0.655,457 -0.008,458 2.372,459 0.294,460 -0.613,461 -0.684,463 -1.386,464 -0.536,465 12.481,466 0.499,467 0.483,468 0.019,469 33.75,470 1.35,471 17.5,472 0.7,473 16.25,474 0.65,475 20.617,476 0.825,477 25.319,478 0.633,479 22.759,480 0.91,481 6.479,482 0.259,483 5.797,484 0.232,485 0.089,487 0.312,493 0.745,494 1.045,495 0.594,496 0.808,497 0.478,498 0.783,499 1.254,500 0.97,501 0.752,502 0.755,503 0.623,504 0.773,505 1.051,506 0.8,507 0.96,508 0.803,509 0.716,510 0.834,511 0.544,512 1.107,513 1.225,514 1.321,515 0.729,516 1.008,517 0.544,518 1.302,519 1.104,520 1.41,521 0.776,522 1.067,523 0.993,524 1.308,525 0.847,526 1.061,527 1.782,528 1.125,529 1.136,530 1.114,531 0.81,532 0.879,533 1.818,534 1.131,535 0.775,536 0.951,537 0.777,538 0.965,539 0.737,540 1.182,541 3.5,542 0.025,543 2.667,544 1.757,545 1.768,546 1.018,547 0.537,548 0.328,549 0.17,550 0.094,551 6406,552 20467,553 2.154,554 37.5,556 13,557 1,559 1,564 1.691,565 2.055,566 3.007,567 -0.277,569 1,573 71.215,574 1.78,575 3.894,576 4.432,577 4.622,578 4.622,579 4.622,580 2.478,581 3.924,582 4.612,583 3.148,584 944.549,585 8.038,586 11084.5,588 1,590 1,591 212.877,592 1.26,593 4.592,594 0.125,595 0.008,596 0.068,597 0.045,598 0.042,599 0.023,600 0.013,601 0.01,602 0.008,603 0.009,604 0.353,605 0.5,606 1,607 0.663,608 117.023,609 0.01,610 0.006,611 0.036,612 0.024,613 0.071,614 0.022,615 -0.218,616 0.064,617 0.026,618 0.157,619 -0.06,620 0.092,621 -0.105,622 0.189,623 0.029,624 0.222,625 -0.031,626 0.139,627 0.052,628 -0.074,629 -0.064,630 -0.086,631 0.047,632 0.01,633 0.065,634 -0.253,635 -0.133,636 -0.268,637 0.056,638 -0.09,639 -0.118,640 -0.224,641 -0.177,642 -0.26,643 -0.188,644 -0.294,645 -0.133,646 -0.06,647 -0.056,648 -0.105,649 -0.239,650 -0.267,651 0.178,652 -0.053,653 0.064,654 -0.108,655 0.116,656 -0.148,657 0.993,658 3.901,659 0.88,660 19.482,661 1.011,662 1.114,663 2.636,664 6.947,665 0.739,666 3.367,667 3.689,668 4.025,669 4.357,670 4.595,671 4.745,672 4.905,673 5.017,674 5.017,675 4.92,676 5.135,677 0.699,678 370.89,679 3.367,680 4.905,681 5.778,682 6.673,683 7.573,684 8.483,685 9.395,686 10.312,687 11.23,688 12.152,689 10,695 1,697 1,698 1,699 1,704 6,705 1,706 1,708 1,709 7,711 16,713 1,726 1,730 1,731 40,733 17,734 1,735 28,737 43,738 18,739 13,740 2,741 4,746 4,747 4,748 1,760 1,761 13,762 4,778 1,781 15,782 4,783 1,784 7,785 2,790 4,794 1,795 1,803 1,811 2,812 2,839 1,840 4,842 1,845 1,848 25,854 4,856 1,859 1,861 1,865 1,866 1,868 1,869 1,870 2.5,874 1,877 12.167,878 7.326,879 5.583,880 2.394,881 2.571,882 1.358,883 1.02,884 4.756,885 9.743,886 3.664,887 4.234,888 4.883,889 5.529,890 6.011,891 6.453,892 6.874,893 7.294,894 7.558,895 7.642,896 0.833,897 39,898 9.192,900 3.924,901 7.704,902 17.655,904 14.681,905 2.204,906 55.111,909 1,910 164.795,911 135.806,912 67.51,913 39.149,914 11,916 31.278,917 104.529,918 214.944,919 67.51,921 13.396,922 56.429,923 44.265,924 67.59,925 13.13,926 184.302,927 39.149,928 164.795,929 172.038,930 11,931 70.426,933 164.795,935 11,937 64.805,938 90.57,939 55.812,940 31.278,941 164.795,942 78.51,943 174.955,946 164.795,947 62.776,948 59.553,949 33.265,950 97.871,951 164.795,952 78.51,953 174.955,955 0.572,956 0.347,957 0.204,958 0.116,959 20,960 8,961 0.07,962 3,964 1,965 3.628,966 220.972,968 22,969 108.096,970 1,974 16.59,975 7.167,976 3.177,978 61.847,979 11.308,980 4.331,981 2.861,983 1.606,984 6.049,986 16.663,987 418.26,988 38,999 40.436,1000 44.558,1001 0.335,1002 0.732,1003 0.833,1004 0.868,1005 0.868,1006 0.868,1007 4.905,1008 1,1009 5.753,1010 3.696,1011 4.369,1012 4.92,1013 2.461,1014 6.603,1015 4.228,1016 6.109,1017 1,1018 7.326,1019 2.517,1020 3.892,1021 4.62,1022 0.325,1023 7.603,1024 3.668,1025 7.416,1026 0.966,1027 9.008,1028 2.275,1029 5.979,1030 7.113,1031 3.606,1032 10.777,1033 5.732,1034 8.764,1035 0.872,1036 10.758,1037 2.136,1038 6.415,1039 7.764,1040 0.268,1041 12.685,1042 6.105,1043 10.15,1044 0.618,1045 12.554,1046 2.086,1047 7.919,1048 9.634,1049 4.97,1050 15.381,1051 7.581,1052 11.564,1053 0.404,1054 14.383,1055 1.372,1056 8.768,1057 10.721,1058 0.188,1059 17.643,1060 8.378,1061 13.001,1062 -0.174,1063 16.234,1064 0.71,1065 10.059,1066 12.349,1067 6.379,1068 20.197,1069 9.634,1070 3.344,1071 -0.613,1072 18.103,1073 -0.353,1074 11.098,1075 13.645,1076 0.125,1077 22.6,1078 10.625,1079 2.739,1080 12.204,1081 19.987,1082 -1.386,1083 12.314,1084 15.18,1085 7.797,1086 25.11,1087 11.803,1088 2.592,1089 9.285,1090 21.881,1091 4.456,1092 13.44,1093 16.575,1094 0.082,1095 27.57,1096 12.882,1097 2.313,1098 8.049,1099 23.784,1100 3.591,1101 14.636,1102 18.075,1103 9.217,1104 30.07,1105 14.037,1106 1.977,1107 6.399,1108 25.695,1109 3.509,1110 15.801,1111 19.519,1112 0.054,1113 32.553,1114 15.156,1115 1.651,1116 5.606,1117 27.612,1118 2.898,1119 16.994,1120 21.008,1121 10.638,1122 35.051,1123 16.306,1124 1.514,1125 4.372,1126 29.534,1127 2.396,1128 18.178,1129 22.475,1130 0.035,1131 37.544,1132 17.444,1133 6115,1134 11043,1135 19.186,1136 29.551,1137 43.622,1138 44.944,1139 43.205,1140 42.21,1141 41.978,1142 55.166,1143 7.389,1144 121.415,1145 38.758,1146 5.704,1147 6.094,1148 6.862,1149 5.449,1150 5.344,1151 7.456,1152 4.069,1153 19.732,1154 5.188,1155 8.897,1156 1.558,1157 1.605,1158 1.543,1159 1.507,1160 1.499,1161 1.97,1162 0.264,1163 4.336,1164 1.384,1165 4.068,1166 4.087,1167 4.304,1168 4.061,1169 6.82,1170 4.022,1171 3.84,1172 3.888,1173 3.963,1174 3.764,1175 5.035,1176 3.747,1177 3.784,1178 3.835,1179 3.75,1180 3.592,1181 4.935,1182 3.61,1183 3.588,1184 3.615,1185 3.57,1186 3.443,1187 4.645,1188 3.444,1189 3.111,1190 3.206,1191 3.321,1192 2.941,1193 4.47,1194 2.91,1195 3.036,1196 3.079,1197 3.181,1198 2.903,1199 4.186,1200 2.902,1201 2.887,1202 2.928,1203 2.866,1204 2.819,1205 3.701,1206 2.77,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.168,1214 0.146,1215 0.252,1216 0.153,1217 0.119,1218 4.704,1219 0.159,1220 4.094,1221 0.073,1222 7.061,1223 0.436,1224 4.294,1225 0.114,1226 3.344,1227 4.456,1228 2.035,1229 12.204,1230 3.188,1231 1.921,1232 1.905,1233 1.995,1234 1.983,1235 1.21,1236 1.992,1237 1.726,1238 1.68,1239 1.913,1240 1.941,1241 1.128,1242 1.942,1243 1.564,1244 1.549,1245 1.654,1246 1.687,1247 0.825,1248 1.667,1249 1.421,1250 1.394,1251 1.513,1252 1.626,1253 0.791,1254 1.612,1255 1.328,1256 1.263,1257 1.509,1258 1.509,1259 0.609,1260 1.504,1261 1.153,1262 1.064,1263 1.354,1264 1.376,1265 0.48,1266 1.429,1267 0.931,1268 0.892,1269 1.181,1270 1.124,1271 0.218,1272 1.126,1273 0.886,1274 0.821,1275 1.07,1276 1.062,1277 0.191,1278 1.107,1279 4.043,1281 5.361,1282 3.045,1283 6.882,1284 5.352,1285 8.497,1286 7.445,1287 10.165,1290 6.037,1295 2.929,1297 5.45,1300 2.224,1303 9.901,1304 2.414,1305 27.976,1306 71.215,1307 155.758,1308 177.267,1309 184.877,1310 184.877,1311 184.877,1312 34.501,1313 7.172,1314 64.94,1315 93.18,1316 22,1317 12.66,1318 4.17,1319 3.459,1320 35.44,1321 74,1322 85,1323 0.234,1324 178.15,1325 300.57,1326 426.445,1327 10181,1328 2.5,1329 17.225,1330 0.689,1331 0.596,1332 18.079,1333 14.901,1334 12.275,1335 0.438,1336 0.326,1337 7.928,1338 11.124,1339 7.683,1340 6.28,1341 12.972,1342 9.128,1343 10.675,1344 0.274,1345 0.182,1346 11.673,1347 7.099,1348 9.42,1349 0.171,1350 0.103,1351 10.602,1352 5.691,1353 8.191,1354 0.106,1355 0.057,1356 9.454,1357 4.392,1358 6.614,1359 0.067,1360 0.032,1361 7.87,1362 3.096,1363 0.348,1364 83.792,1365 0.228,1366 23.56,1367 0.709,1368 134,1369 396.068,1370 184.794,1371 437.275,1372 591.47,1373 410,1374 161,1375 395.637,1376 207.607,1377 427.33,1378 629.55,1379 403,1380 8.745}
{0 CHEMBL2017650,1 1.839,2 8.28,3 3.743,4 14.01,5 101.642,6 9.535,7 0.571,8 3.808,9 3.907,10 3.634,11 3.439,12 4.991,13 3.408,14 4.324,15 4.463,16 4.028,17 3.849,18 5.4,19 3.794,20 4.504,21 4.678,22 4.094,23 3.99,24 5.525,25 3.88,26 4.49,27 4.641,28 4.162,29 4.053,30 5.563,31 3.929,32 4.538,33 4.696,34 4.103,35 4.026,36 5.676,37 3.937,38 4.537,39 4.702,40 4.041,41 3.914,42 5.85,43 3.869,44 4.541,45 4.741,46 4.018,47 3.817,48 5.821,49 3.746,50 4.51,51 4.768,52 3.626,53 3.574,54 5.558,55 3.451,56 0.103,57 0.619,58 4.981,59 3.243,60 10.85,61 3.536,62 0.281,63 0.99,64 12.454,65 5.79,66 18.587,67 5.954,68 0.389,69 1.135,70 20.766,71 8.031,72 27.4,73 8.811,74 0.239,75 1.219,76 24.863,77 9.204,78 19.257,79 9.922,80 0.222,81 1.272,82 23.424,83 9.257,84 21.61,85 9.861,86 0.301,87 1.273,88 14.513,89 6.57,90 46.403,91 7.088,92 0.425,93 1.203,94 18.671,95 6.347,96 61.642,97 6.873,98 0.504,99 1.029,100 21.782,101 7.156,102 51.211,103 8.882,104 6,105 39,106 0.323,107 0.704,108 0.783,109 0.801,110 0.801,111 0.801,112 3.269,113 0.964,114 -3.67,115 -3.64,116 -3.47,119 43.6,125 4,142 4,143 3,144 1,146 1,151 1,152 1,153 1,158 1,166 1,168 1,172 6,175 3,178 1,183 11,186 1,187 4,195 9,198 1,199 7,204 2,207 5,211 1,212 10,217 2,220 3,223 2,224 9,227 1,229 2,232 1,236 2,237 3,240 1,242 2,245 1,249 1,250 5,262 1,263 3,266 1,268 1,275 908,276 17.422,277 17.422,278 17.422,279 17.422,280 17.422,281 15.461,282 13.67,283 10.389,284 18.044,285 13.791,286 13.791,287 13.791,288 13.791,289 13.791,290 10.755,291 15.558,292 4.858,293 14.879,294 3.446,295 1.272,296 0.821,297 0.718,298 0.718,299 0.718,300 3.966,301 1,303 1,304 1,305 1,306 452,307 2.236,310 132.307,311 157.955,318 1.194,319 20.33,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 53.833,331 207,332 4.704,333 4.094,334 7.061,335 4.294,336 3.344,337 4.456,338 2.035,339 12.204,340 3.187,341 4.019,342 3.335,343 6.255,344 3.671,345 2.739,346 3.591,347 0.86,348 9.285,349 2.542,350 3.993,351 2.977,352 5.856,353 3.548,354 2.592,355 3.509,356 0.8,357 8.049,358 2.468,359 3.621,360 2.873,361 5.253,362 3.232,363 2.313,364 2.898,366 6.399,367 2.103,368 3.459,369 2.515,370 4.953,371 2.894,372 1.977,373 2.396,375 5.606,376 1.754,377 3.179,378 2.317,379 4.548,380 2.579,381 1.651,382 2.37,384 4.372,385 1.508,386 2.866,387 1.955,388 4.283,389 2.39,390 1.514,391 1.765,393 3.696,394 1.305,395 2.588,396 1.659,397 3.562,398 2,399 1,400 1.5,402 2.517,403 1,404 2.5,405 1.256,406 3.414,407 1.952,408 1,409 1.332,411 2.275,412 0.946,413 2.259,414 1.167,415 3.383,416 1.848,417 0.966,418 1.121,420 2.136,421 0.841,422 2.147,423 1,424 3.247,425 1.795,426 0.872,427 1,428 2.086,429 0.784,430 2.118,431 0.892,432 3.002,433 1.567,434 0.618,435 0.927,436 1.372,437 0.585,438 2,439 0.618,440 3,441 1.308,442 0.404,443 0.719,445 0.71,446 0.358,447 1.189,448 0.43,449 2.502,450 0.685,451 -0.174,452 -0.232,454 -0.353,455 -0.123,456 0.655,457 -0.008,458 2.372,459 0.294,460 -0.613,461 -0.684,463 -1.386,464 -0.536,465 12.381,466 0.495,467 0.483,468 0.019,469 33.75,470 1.35,471 17.5,472 0.7,473 16.25,474 0.65,475 20.489,476 0.82,477 25.419,478 0.652,479 22.887,480 0.915,481 6.508,482 0.26,483 5.767,484 0.231,485 0.09,487 0.315,493 0.704,494 0.991,495 0.584,496 0.799,497 0.455,498 0.775,499 1.193,500 0.914,501 0.744,502 0.741,503 0.608,504 0.758,505 1.022,506 0.793,507 0.968,508 0.812,509 0.717,510 0.842,511 0.532,512 1.155,513 1.231,514 1.395,515 0.725,516 1.05,517 0.55,518 1.326,519 1.032,520 1.387,521 0.776,522 1.071,523 0.98,524 1.314,525 0.841,526 1.071,527 1.766,528 1.132,529 1.171,530 1.135,531 0.806,532 0.86,533 1.811,534 1.114,535 0.953,536 0.929,537 0.805,538 0.899,539 0.738,540 1.129,541 3.5,542 0.025,543 2.667,544 1.757,545 1.768,546 1.018,547 0.537,548 0.328,549 0.17,550 0.094,551 6406,552 21491,553 2.154,554 35.9,556 12,557 1,559 1,564 1.691,565 2.055,566 3.007,567 -0.238,569 1,573 71.731,574 1.839,575 4.013,576 4.465,577 4.567,578 4.567,579 4.567,580 2.478,581 3.924,582 4.612,583 3.148,584 944.549,585 8.038,586 11084.5,587 1,588 1,590 1,591 206.131,592 1.26,593 4.592,594 0.125,595 0.008,596 0.068,597 0.045,598 0.042,599 0.023,600 0.013,601 0.01,602 0.008,603 0.009,604 0.353,605 0.5,606 1,607 0.663,608 117.023,609 0.053,610 0.083,611 0.036,612 0.035,613 0.104,614 0.02,615 -0.191,616 0.116,617 0.031,618 0.182,619 -0.045,620 0.112,621 -0.112,622 0.178,623 0.023,624 0.23,625 -0.035,626 0.146,627 0.064,628 -0.123,629 -0.073,630 -0.14,631 0.044,632 -0.018,633 0.068,634 -0.288,635 -0.101,636 -0.265,637 0.052,638 -0.088,639 -0.107,640 -0.234,641 -0.172,642 -0.27,643 -0.195,644 -0.303,645 -0.144,646 -0.083,647 -0.041,648 -0.095,649 -0.217,650 -0.258,651 0.089,652 -0.021,653 0.067,654 -0.057,655 0.093,656 -0.101,657 1.007,658 3.886,659 0.88,660 19.482,661 1.017,662 1.119,663 2.443,664 5.97,665 0.738,666 3.367,667 3.689,668 4.025,669 4.357,670 4.595,671 4.745,672 4.905,673 5.017,674 5.017,675 4.92,676 5.135,677 0.704,678 371.88,679 3.367,680 4.905,681 5.778,682 6.673,683 7.573,684 8.483,685 9.395,686 10.312,687 11.23,688 12.152,689 12.8,695 1,697 1,698 1,699 2,704 5,705 2,706 1,708 1,709 7,711 16,713 1,726 1,730 1,731 39,733 17,734 1,735 28,737 42,738 17,739 12,740 2,741 4,746 4,747 4,748 1,760 1,761 12,762 4,778 1,781 14,782 5,783 1,784 8,785 2,790 5,794 1,795 1,811 2,812 2,839 1,840 4,842 1,845 1,848 25,854 4,856 1,859 1,861 1,865 1,866 1,867 1,868 1,869 1,870 2.6,874 1,877 12.167,878 7.193,879 5.583,880 2.323,881 2.571,882 1.358,883 1.015,884 4.712,885 9.743,886 3.664,887 4.234,888 4.883,889 5.529,890 6.011,891 6.453,892 6.874,893 7.294,894 7.558,895 7.642,896 0.833,897 39,898 9.175,900 3.917,901 7.744,902 17.525,904 14.514,905 2.244,906 56.111,910 153.024,911 126.33,912 84.05,913 39.149,914 11,916 31.278,917 95.052,918 203.173,919 84.05,921 13.396,922 46.952,923 60.805,924 67.59,925 13.13,926 172.531,927 39.149,928 153.024,929 179.103,930 11,931 70.426,933 153.024,935 11,937 64.805,938 81.094,939 72.352,940 31.278,941 153.024,942 95.05,943 165.479,946 153.024,947 62.776,948 50.077,949 33.265,950 114.411,951 153.024,952 95.05,953 165.479,955 0.572,956 0.347,957 0.204,958 0.116,959 20,960 8,961 0.071,962 3,964 1,965 3.628,966 220.972,968 22,969 108.096,970 1,974 16.529,975 7.127,976 3.155,978 78.387,979 9.263,980 7.969,981 2.75,983 1.566,984 5.74,986 16.663,987 413.553,988 38,999 39.654,1000 43.641,1001 0.348,1002 0.759,1003 0.845,1004 0.864,1005 0.864,1006 0.864,1007 4.905,1008 1,1009 5.753,1010 3.696,1011 4.369,1012 4.92,1013 2.461,1014 6.603,1015 4.228,1016 6.109,1017 1,1018 7.326,1019 2.517,1020 3.892,1021 4.62,1022 0.325,1023 7.603,1024 3.668,1025 7.416,1026 0.966,1027 9.008,1028 2.275,1029 5.979,1030 7.113,1031 3.606,1032 10.777,1033 5.731,1034 8.764,1035 0.872,1036 10.758,1037 2.136,1038 6.415,1039 7.764,1040 0.268,1041 12.685,1042 6.103,1043 10.15,1044 0.618,1045 12.554,1046 2.086,1047 7.919,1048 9.634,1049 4.97,1050 15.381,1051 7.579,1052 11.564,1053 0.404,1054 14.383,1055 1.372,1056 8.768,1057 10.721,1058 0.188,1059 17.643,1060 8.375,1061 13.001,1062 -0.174,1063 16.234,1064 0.71,1065 10.059,1066 12.349,1067 6.379,1068 20.197,1069 9.631,1070 3.344,1071 -0.613,1072 18.103,1073 -0.353,1074 11.098,1075 13.645,1076 0.125,1077 22.6,1078 10.622,1079 2.739,1080 12.204,1081 19.987,1082 -1.386,1083 12.314,1084 15.18,1085 7.797,1086 25.11,1087 11.8,1088 2.592,1089 9.285,1090 21.881,1091 4.456,1092 13.44,1093 16.575,1094 0.082,1095 27.57,1096 12.879,1097 2.313,1098 8.049,1099 23.784,1100 3.591,1101 14.636,1102 18.075,1103 9.217,1104 30.07,1105 14.033,1106 1.977,1107 6.399,1108 25.695,1109 3.509,1110 15.801,1111 19.519,1112 0.054,1113 32.553,1114 15.152,1115 1.651,1116 5.606,1117 27.612,1118 2.898,1119 16.994,1120 21.008,1121 10.638,1122 35.051,1123 16.302,1124 1.514,1125 4.372,1126 29.534,1127 2.396,1128 18.178,1129 22.475,1130 0.035,1131 37.544,1132 17.441,1133 6115,1134 11325,1135 19.186,1136 28.796,1137 43.622,1138 44.944,1139 43.205,1140 42.198,1141 41.978,1142 55.166,1143 7.389,1144 121.415,1145 38.764,1146 5.704,1147 6.094,1148 6.862,1149 5.449,1150 5.344,1151 7.456,1152 4.069,1153 19.732,1154 5.187,1155 8.897,1156 1.558,1157 1.605,1158 1.543,1159 1.507,1160 1.499,1161 1.97,1162 0.264,1163 4.336,1164 1.384,1165 4.063,1166 4.083,1167 4.303,1168 4.055,1169 6.82,1170 4.017,1171 3.824,1172 3.874,1173 3.963,1174 3.757,1175 5.164,1176 3.734,1177 3.771,1178 3.832,1179 3.726,1180 3.526,1181 4.943,1182 3.557,1183 3.578,1184 3.61,1185 3.567,1186 3.403,1187 4.648,1188 3.419,1189 3.111,1190 3.206,1191 3.321,1192 2.941,1193 4.479,1194 2.91,1195 3.029,1196 3.074,1197 3.18,1198 2.884,1199 4.189,1200 2.886,1201 2.886,1202 2.928,1203 2.866,1204 2.819,1205 3.714,1206 2.768,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.168,1214 0.146,1215 0.252,1216 0.153,1217 0.119,1218 4.704,1219 0.159,1220 4.094,1221 0.073,1222 7.061,1223 0.436,1224 4.294,1225 0.114,1226 3.344,1227 4.456,1228 2.035,1229 12.204,1230 3.187,1231 1.921,1232 1.904,1233 1.995,1234 1.983,1235 1.21,1236 1.992,1237 1.726,1238 1.68,1239 1.912,1240 1.941,1241 1.128,1242 1.942,1243 1.553,1244 1.536,1245 1.612,1246 1.695,1247 0.825,1248 1.677,1249 1.407,1250 1.386,1251 1.513,1252 1.577,1253 0.765,1254 1.542,1255 1.174,1256 1.096,1257 1.457,1258 1.477,1259 0.601,1260 1.448,1261 1.153,1262 1.064,1263 1.201,1264 1.376,1265 0.332,1266 1.429,1267 0.886,1268 0.821,1269 1.181,1270 1.116,1271 0.218,1272 1.107,1273 0.868,1274 0.811,1275 1.048,1276 1.062,1277 0.153,1278 1.104,1279 4.043,1281 5.361,1282 3.045,1283 6.882,1284 5.352,1285 8.497,1286 7.445,1287 10.165,1290 6.027,1295 2.873,1297 5.44,1300 2.204,1303 9.886,1304 2.393,1305 27.47,1306 71.731,1307 156.521,1308 174.131,1309 178.131,1310 178.131,1311 178.131,1312 34.942,1313 7.172,1314 77.83,1315 106.07,1316 22,1317 12.66,1318 4.17,1319 3.459,1320 35.44,1321 74,1322 85,1323 0.234,1324 175.352,1325 294.27,1326 419.618,1327 10181,1328 2.6,1329 17.225,1330 0.689,1331 0.591,1332 18.079,1333 14.771,1334 12.275,1335 0.438,1336 0.321,1337 7.781,1338 11.056,1339 7.55,1340 6.17,1341 12.972,1342 8.995,1343 10.675,1344 0.274,1345 0.179,1346 11.673,1347 6.999,1348 9.42,1349 0.171,1350 0.102,1351 10.602,1352 5.607,1353 8.191,1354 0.106,1355 0.056,1356 9.454,1357 4.304,1358 6.614,1359 0.067,1360 0.031,1361 7.87,1362 3.04,1363 0.348,1364 84.292,1365 0.228,1366 23.56,1367 0.709,1368 134,1369 415.713,1370 186.237,1371 455.247,1372 614.51,1373 426,1374 161,1375 415.282,1376 209.217,1377 445.292,1378 652.67,1379 419,1380 8.523}
{0 CHEMBL2017651,1 1.78,2 8.28,3 3.782,4 14.303,5 102.151,6 9.272,7 0.571,8 3.821,9 3.918,10 3.627,11 3.47,12 4.972,13 3.431,14 4.344,15 4.483,16 4.022,17 3.882,18 5.393,19 3.819,20 4.53,21 4.703,22 4.088,23 4.031,24 5.528,25 3.908,26 4.526,27 4.682,28 4.159,29 4.094,30 5.565,31 3.957,32 4.56,33 4.717,34 4.096,35 4.069,36 5.664,37 3.97,38 4.566,39 4.729,40 4.031,41 3.98,42 5.831,43 3.915,44 4.596,45 4.795,46 4.016,47 3.902,48 5.833,49 3.804,50 4.585,51 4.851,52 3.613,53 3.66,54 5.554,55 3.509,56 0.066,57 0.596,58 5.611,59 3.387,60 9.526,61 3.836,62 0.233,63 0.98,64 13.524,65 6.015,66 17.519,67 6.389,68 0.329,69 1.135,70 21.401,71 8.535,72 24.507,73 9.6,74 0.215,75 1.227,76 27.709,77 9.992,78 18.262,79 10.952,80 0.16,81 1.259,82 24.198,83 9.669,84 18.757,85 10.57,86 0.228,87 1.273,88 15.808,89 7.166,90 39.897,91 8.159,92 0.348,93 1.247,94 20.749,95 7.451,96 60.572,97 8.782,98 0.376,99 1.121,100 24.601,101 8.539,102 47.271,103 10.966,104 6,105 39,106 0.311,107 0.684,108 0.789,109 0.807,110 0.807,111 0.807,112 3.269,113 0.977,114 -3.87,115 -3.82,116 -3.63,119 45,125 4,142 4,143 4,144 1,145 1,151 1,152 1,153 1,158 1,168 1,172 6,175 4,180 1,183 13,186 1,187 2,195 11,198 1,199 6,204 2,207 7,212 9,217 2,220 5,223 1,224 7,227 1,229 2,232 1,236 2,237 4,240 1,242 2,245 2,250 4,262 1,263 3,266 1,268 1,275 908,276 17.422,277 17.422,278 17.422,279 17.422,280 17.422,281 15.461,282 13.67,283 10.389,284 18.038,285 13.791,286 13.791,287 13.791,288 13.791,289 13.791,290 10.755,291 15.558,292 4.858,293 14.865,294 3.542,295 1.407,296 0.8,297 0.7,298 0.7,299 0.7,300 3.966,301 1,303 1,304 1,305 1,306 452,307 2.236,310 132.307,311 157.955,318 1.194,319 18.897,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.333,331 207,332 4.704,333 4.094,334 7.061,335 4.296,336 3.344,337 4.456,338 2.035,339 12.204,340 3.193,341 4.019,342 3.335,343 6.255,344 3.674,345 2.739,346 3.591,347 0.86,348 9.285,349 2.56,350 3.993,351 2.977,352 5.856,353 3.556,354 2.592,355 3.509,356 0.8,357 8.049,358 2.485,359 3.621,360 2.873,361 5.253,362 3.234,363 2.313,364 2.898,366 6.399,367 2.105,368 3.459,369 2.515,370 4.953,371 2.894,372 1.977,373 2.396,375 5.606,376 1.753,377 3.179,378 2.317,379 4.548,380 2.568,381 1.651,382 2.37,384 4.372,385 1.49,386 2.866,387 1.955,388 4.283,389 2.39,390 1.514,391 1.765,393 3.696,394 1.305,395 2.588,396 1.659,397 3.562,398 2,399 1,400 1.5,402 2.517,403 1,404 2.5,405 1.256,406 3.414,407 1.952,408 1,409 1.332,411 2.275,412 0.946,413 2.259,414 1.167,415 3.383,416 1.851,417 0.966,418 1.121,420 2.136,421 0.844,422 2.147,423 1,424 3.247,425 1.795,426 0.872,427 1,428 2.086,429 0.784,430 2.118,431 0.892,432 3.002,433 1.547,434 0.618,435 0.927,436 1.372,437 0.572,438 2,439 0.618,440 3,441 1.313,442 0.404,443 0.719,445 0.71,446 0.359,447 1.189,448 0.43,449 2.502,450 0.685,451 -0.174,452 -0.232,454 -0.353,455 -0.123,456 0.655,457 -0.008,458 2.372,459 0.294,460 -0.613,461 -0.684,463 -1.386,464 -0.536,465 12.481,466 0.499,467 0.483,468 0.019,469 33.75,470 1.35,471 17.5,472 0.7,473 16.25,474 0.65,475 20.631,476 0.825,477 25.319,478 0.633,479 22.744,480 0.91,481 6.477,482 0.259,483 5.798,484 0.232,485 0.089,487 0.312,493 0.745,494 1.045,495 0.594,496 0.808,497 0.47,498 0.783,499 1.269,500 0.91,501 0.756,502 0.727,503 0.633,504 0.753,505 1.023,506 0.78,507 0.973,508 0.807,509 0.698,510 0.864,511 0.511,512 1.1,513 1.273,514 1.388,515 0.706,516 1.025,517 0.547,518 1.322,519 1.032,520 1.362,521 0.779,522 1.068,523 0.939,524 1.292,525 0.843,526 1.077,527 1.773,528 1.147,529 0.993,530 1.151,531 0.778,532 0.93,533 1.78,534 1.168,535 0.913,536 0.996,537 0.755,538 0.912,539 0.672,540 1.107,541 3.5,542 0.025,543 2.667,544 1.757,545 1.768,546 1.018,547 0.537,548 0.328,549 0.17,550 0.094,551 6406,552 20623,553 2.154,554 37.5,556 12,557 1,558 1,559 1,564 1.691,565 2.055,566 3.007,567 -0.277,569 1,573 71.215,574 1.78,575 3.915,576 4.522,577 4.622,578 4.622,579 4.622,580 2.478,581 3.924,582 4.612,583 3.148,584 944.549,585 8.038,586 11084.5,587 1,588 1,590 1,591 212.877,592 1.26,593 4.592,594 0.125,595 0.008,596 0.068,597 0.045,598 0.042,599 0.023,600 0.013,601 0.01,602 0.008,603 0.009,604 0.353,605 0.5,606 1,607 0.663,608 117.023,609 0.01,610 0.006,611 0.036,612 0.024,613 0.079,614 0.022,615 -0.233,616 0.125,617 0.022,618 0.186,619 -0.071,620 0.112,621 -0.11,622 0.197,623 0.007,624 0.221,625 -0.032,626 0.111,627 0.07,628 -0.072,629 -0.078,630 -0.119,631 0.055,632 0.01,633 0.042,634 -0.294,635 -0.109,636 -0.256,637 0.038,638 -0.092,639 -0.099,640 -0.225,641 -0.178,642 -0.27,643 -0.215,644 -0.305,645 -0.031,646 -0.123,647 -0.021,648 -0.143,649 -0.156,650 -0.281,651 0.062,652 -0.093,653 0.104,654 -0.047,655 0.11,656 -0.06,657 0.99,658 3.906,659 0.88,660 19.482,661 1.011,662 1.114,663 2.636,664 6.947,665 0.739,666 3.367,667 3.689,668 4.025,669 4.357,670 4.595,671 4.745,672 4.905,673 5.017,674 5.017,675 4.92,676 5.135,677 0.699,678 370.89,679 3.367,680 4.905,681 5.778,682 6.673,683 7.573,684 8.483,685 9.395,686 10.312,687 11.23,688 12.152,689 10,695 1,697 1,698 1,699 1,704 6,705 1,706 1,708 1,709 7,711 16,713 1,726 1,730 1,731 40,733 17,734 1,735 28,737 43,738 18,739 13,740 2,741 4,746 4,747 4,748 1,760 1,761 13,762 4,778 1,781 15,782 4,783 1,784 7,785 2,790 4,794 1,795 1,803 1,811 2,812 2,839 1,840 4,842 1,845 1,848 25,854 4,856 1,859 1,861 1,865 1,866 1,868 1,869 1,870 2.5,874 1,877 12.167,878 7.326,879 5.583,880 2.383,881 2.571,882 1.358,883 1.02,884 4.756,885 9.743,886 3.664,887 4.234,888 4.883,889 5.529,890 6.011,891 6.453,892 6.874,893 7.294,894 7.558,895 7.642,896 0.833,897 39,898 9.188,900 3.92,901 7.704,902 17.655,904 14.69,905 2.204,906 55.111,909 1,910 164.795,911 135.806,912 67.51,913 39.149,914 11,916 31.278,917 104.529,918 214.944,919 67.51,921 13.396,922 46.952,923 56.036,924 77.067,925 13.13,926 172.531,927 39.149,928 164.795,929 172.038,930 11,931 70.426,933 164.795,935 11,937 71.096,938 84.28,939 55.812,940 31.278,941 164.795,942 78.51,943 174.955,946 164.795,947 63.205,948 59.124,949 33.265,950 97.871,951 164.795,952 78.51,953 174.955,955 0.572,956 0.347,957 0.204,958 0.116,959 20,960 8,961 0.07,962 3,964 1,965 3.628,966 220.972,968 22,969 108.096,970 1,974 16.59,975 7.167,976 3.177,978 61.847,979 11.257,980 4.069,981 2.861,983 1.629,984 6.299,986 16.663,987 418.26,988 38,999 40.436,1000 44.558,1001 0.335,1002 0.736,1003 0.85,1004 0.868,1005 0.868,1006 0.868,1007 4.905,1008 1,1009 5.753,1010 3.696,1011 4.369,1012 4.92,1013 2.461,1014 6.603,1015 4.231,1016 6.109,1017 1,1018 7.326,1019 2.517,1020 3.892,1021 4.62,1022 0.325,1023 7.603,1024 3.683,1025 7.416,1026 0.966,1027 9.008,1028 2.275,1029 5.979,1030 7.113,1031 3.606,1032 10.777,1033 5.741,1034 8.764,1035 0.872,1036 10.758,1037 2.136,1038 6.415,1039 7.764,1040 0.268,1041 12.685,1042 6.123,1043 10.15,1044 0.618,1045 12.554,1046 2.086,1047 7.919,1048 9.634,1049 4.97,1050 15.381,1051 7.595,1052 11.564,1053 0.404,1054 14.383,1055 1.372,1056 8.768,1057 10.721,1058 0.188,1059 17.643,1060 8.398,1061 13.001,1062 -0.174,1063 16.234,1064 0.71,1065 10.059,1066 12.349,1067 6.379,1068 20.197,1069 9.652,1070 3.344,1071 -0.613,1072 18.103,1073 -0.353,1074 11.098,1075 13.645,1076 0.125,1077 22.6,1078 10.646,1079 2.739,1080 12.204,1081 19.987,1082 -1.386,1083 12.314,1084 15.18,1085 7.797,1086 25.11,1087 11.825,1088 2.592,1089 9.285,1090 21.881,1091 4.456,1092 13.44,1093 16.575,1094 0.082,1095 27.57,1096 12.906,1097 2.313,1098 8.049,1099 23.784,1100 3.591,1101 14.636,1102 18.075,1103 9.217,1104 30.07,1105 14.061,1106 1.977,1107 6.399,1108 25.695,1109 3.509,1110 15.801,1111 19.519,1112 0.054,1113 32.553,1114 15.181,1115 1.651,1116 5.606,1117 27.612,1118 2.898,1119 16.994,1120 21.008,1121 10.638,1122 35.051,1123 16.332,1124 1.514,1125 4.372,1126 29.534,1127 2.396,1128 18.178,1129 22.475,1130 0.035,1131 37.544,1132 17.471,1133 6115,1134 11081,1135 19.186,1136 29.551,1137 43.622,1138 44.944,1139 43.205,1140 42.181,1141 41.978,1142 55.166,1143 7.389,1144 121.415,1145 38.794,1146 5.704,1147 6.094,1148 6.862,1149 5.45,1150 5.344,1151 7.456,1152 4.069,1153 19.732,1154 5.193,1155 8.897,1156 1.558,1157 1.605,1158 1.543,1159 1.506,1160 1.499,1161 1.97,1162 0.264,1163 4.336,1164 1.385,1165 4.071,1166 4.089,1167 4.305,1168 4.066,1169 6.82,1170 4.027,1171 3.839,1172 3.887,1173 3.963,1174 3.767,1175 5.037,1176 3.749,1177 3.783,1178 3.834,1179 3.749,1180 3.586,1181 4.938,1182 3.606,1183 3.584,1184 3.612,1185 3.569,1186 3.435,1187 4.647,1188 3.437,1189 3.111,1190 3.206,1191 3.321,1192 2.941,1193 4.478,1194 2.91,1195 3.03,1196 3.074,1197 3.18,1198 2.887,1199 4.189,1200 2.888,1201 2.886,1202 2.928,1203 2.866,1204 2.819,1205 3.71,1206 2.768,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.168,1214 0.146,1215 0.252,1216 0.153,1217 0.119,1218 4.704,1219 0.159,1220 4.094,1221 0.073,1222 7.061,1223 0.436,1224 4.296,1225 0.114,1226 3.344,1227 4.456,1228 2.035,1229 12.204,1230 3.193,1231 1.923,1232 1.906,1233 1.996,1234 1.983,1235 1.21,1236 1.992,1237 1.726,1238 1.681,1239 1.913,1240 1.941,1241 1.133,1242 1.943,1243 1.591,1244 1.578,1245 1.652,1246 1.695,1247 0.834,1248 1.684,1249 1.413,1250 1.393,1251 1.513,1252 1.608,1253 0.825,1254 1.577,1255 1.247,1256 1.14,1257 1.458,1258 1.513,1259 0.606,1260 1.509,1261 1.153,1262 1.064,1263 1.399,1264 1.376,1265 0.333,1266 1.429,1267 0.992,1268 0.982,1269 1.181,1270 1.128,1271 0.227,1272 1.139,1273 0.886,1274 0.821,1275 1.08,1276 1.062,1277 0.218,1278 1.107,1279 4.043,1281 5.361,1282 3.045,1283 6.882,1284 5.352,1285 8.497,1286 7.445,1287 10.165,1290 6.04,1295 2.945,1297 5.452,1300 2.232,1303 9.906,1304 2.421,1305 27.976,1306 71.215,1307 156.612,1308 180.877,1309 184.877,1310 184.877,1311 184.877,1312 34.357,1313 7.172,1314 64.94,1315 93.18,1316 22,1317 12.66,1318 4.17,1319 3.459,1320 35.44,1321 74,1322 85,1323 0.234,1324 178.15,1325 300.57,1326 426.445,1327 10181,1328 2.5,1329 17.225,1330 0.689,1331 0.596,1332 18.079,1333 14.901,1334 12.275,1335 0.438,1336 0.326,1337 7.917,1338 11.117,1339 7.668,1340 6.27,1341 12.972,1342 9.118,1343 10.675,1344 0.274,1345 0.183,1346 11.673,1347 7.127,1348 9.42,1349 0.171,1350 0.104,1351 10.602,1352 5.745,1353 8.191,1354 0.106,1355 0.057,1356 9.454,1357 4.415,1358 6.614,1359 0.067,1360 0.032,1361 7.87,1362 3.113,1363 0.348,1364 83.838,1365 0.228,1366 23.56,1367 0.709,1368 134,1369 396.068,1370 184.461,1371 437.427,1372 590.55,1373 410,1374 161,1375 393.285,1376 206.996,1377 425.933,1378 626.11,1379 401,1380 6.757}
{0 CHEMBL2017652,1 1.854,2 8.346,3 3.379,4 11.42,5 103.307,6 9.436,7 0.552,8 3.854,9 3.939,10 3.67,11 3.472,12 5.028,13 3.447,14 4.384,15 4.519,16 4.082,17 3.866,18 5.484,19 3.822,20 4.544,21 4.705,22 4.149,23 3.993,24 5.599,25 3.908,26 4.543,27 4.696,28 4.186,29 4.067,30 5.625,31 3.953,32 4.548,33 4.693,34 4.171,35 4.04,36 5.716,37 3.962,38 4.577,39 4.716,40 4.115,41 3.952,42 5.912,43 3.917,44 4.581,45 4.746,46 4.094,47 3.876,48 5.856,49 3.831,50 4.56,51 4.768,52 3.788,53 3.722,54 5.696,55 3.624,56 0.092,57 0.607,58 5.319,59 3.599,60 10.247,61 3.854,62 0.366,63 0.991,64 14.264,65 6.394,66 22.7,67 6.705,68 0.488,69 1.147,70 22.149,71 8.198,72 31.149,73 8.426,74 0.287,75 1.237,76 24.608,77 9.398,78 22.823,79 10.022,80 0.281,81 1.241,82 22.814,83 9.313,84 23.3,85 9.776,86 0.397,87 1.272,88 18.983,89 7.623,90 55.018,91 7.327,92 0.515,93 1.181,94 19.236,95 6.782,96 60.85,97 6.621,98 0.688,99 1.068,100 20.432,101 7.332,102 53.544,103 8.577,104 11,105 41,106 0.322,107 0.668,108 0.775,109 0.792,110 0.792,111 0.792,112 3.306,113 0.965,114 -4.72,115 -4.63,116 -4.35,119 43.9,120 1,125 4,142 4,143 3,144 1,152 1,153 1,158 1,161 2,166 1,172 6,174 2,175 5,183 11,186 1,187 7,195 9,198 1,199 9,207 5,211 2,212 12,220 5,223 3,224 11,232 3,236 2,237 4,245 3,249 2,250 7,258 2,262 1,263 3,275 1020,276 17.87,277 17.87,278 17.87,279 17.87,280 17.87,281 15.883,282 16.096,283 10.525,284 18.511,285 14.274,286 14.274,287 14.274,288 14.274,289 14.274,290 11.166,291 17.029,292 4.937,293 15.376,294 3.504,295 1.514,296 0.896,297 0.799,298 0.799,299 0.799,300 4.001,301 1,303 1,304 1,305 1,306 471,307 2.345,310 139.018,311 165.462,318 1.219,319 24.475,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 56.333,331 217,332 4.707,333 4.094,334 7.062,335 4.297,336 3.347,337 4.461,338 2.035,339 12.209,340 3.191,341 4.113,342 3.338,343 6.261,344 3.714,345 2.772,346 3.717,347 0.86,348 9.318,349 2.623,350 4.005,351 2.983,352 5.893,353 3.609,354 2.653,355 3.558,356 0.8,357 8.218,358 2.507,359 3.654,360 2.897,361 5.258,362 3.279,363 2.362,364 2.942,366 6.456,367 2.147,368 3.518,369 2.681,370 5.056,371 2.965,372 2.018,373 2.644,375 5.845,376 1.903,377 3.321,378 2.318,379 4.931,380 2.889,381 1.977,382 2.393,384 5.601,385 1.731,386 2.994,387 2.173,388 4.315,389 2.39,390 1.515,391 1.833,393 3.698,394 1.305,395 2.641,396 1.938,397 4.21,398 2.122,399 1.209,400 1.662,402 3.407,403 1.087,404 2.5,405 1.284,406 3.542,407 2,408 1,409 1.5,411 2.516,412 1,413 2.463,414 1.256,415 3.414,416 1.952,417 1,418 1.122,420 2.275,421 0.946,422 2.177,423 1.156,424 3.274,425 1.795,426 0.939,427 1.056,428 2.136,429 0.785,430 2.142,431 1,432 3.247,433 1.686,434 0.703,435 1,436 1.683,437 0.688,438 2,439 0.713,440 3.101,441 1.33,442 0.421,443 0.747,445 0.746,446 0.375,447 1.193,448 0.445,449 2.547,450 0.689,451 -0.171,452 -0.229,454 -0.347,455 -0.121,456 0.661,457 0.002,458 2.378,459 0.295,460 -0.612,461 -0.678,463 -1.386,464 -0.536,465 12.814,466 0.493,467 0.589,468 0.023,469 34.75,470 1.337,471 17.5,472 0.673,473 17.25,474 0.663,475 22.451,476 0.864,477 26.786,478 0.653,479 24.018,480 0.924,481 6.676,482 0.257,483 5.993,484 0.23,485 0.126,487 0.343,493 0.757,494 1.133,495 0.582,496 0.889,497 0.507,498 0.828,499 1.058,500 0.932,501 0.693,502 0.741,503 0.559,504 0.721,505 1.168,506 0.83,507 0.984,508 0.814,509 0.814,510 0.808,511 0.65,512 1.12,513 1.172,514 1.275,515 0.783,516 1.017,517 0.587,518 1.266,519 0.988,520 1.314,521 0.781,522 1.003,523 1.161,524 1.332,525 1.061,526 1.22,527 1.74,528 1.106,529 1.475,530 1.106,531 0.838,532 0.815,533 1.805,534 1.049,535 0.887,536 0.944,537 0.853,538 0.963,539 0.733,540 1.22,541 4.5,542 0.037,543 2.889,544 2.076,545 1.893,546 1.042,547 0.73,548 0.484,549 0.232,550 0.153,551 7039,552 23426,553 2.124,554 36.6,556 12,560 3,564 1.702,565 2,566 3.036,567 -0.684,568 1,569 1,573 75.998,574 1.854,575 3.844,576 4.461,577 4.559,578 4.559,579 4.559,580 2.493,581 4.393,582 4.668,583 3.186,584 1035.51,585 8.153,586 12531,587 1,588 1,590 1,591 219.66,592 1.37,593 4.637,594 0.155,595 0.007,596 0.07,597 0.051,598 0.044,599 0.023,600 0.017,601 0.013,602 0.009,603 0.012,604 0.401,605 0.33,606 1,607 0.721,608 123.495,609 0.002,610 -0.084,611 0.043,612 -0.035,613 0.067,614 -0.015,615 -0.03,616 0.091,617 0.104,618 0.193,619 0.047,620 0.165,621 -0.163,622 0.178,623 0.009,624 0.211,625 -0.085,626 0.144,627 0.002,628 -0.064,629 -0.061,630 -0.08,631 0.006,632 -0.01,633 0.103,634 -0.205,635 -0.045,636 -0.188,637 0.074,638 -0.035,639 -0.143,640 -0.216,641 -0.254,642 -0.297,643 -0.15,644 -0.274,645 -0.276,646 -0.059,647 -0.084,648 -0.044,649 -0.273,650 -0.223,651 0.181,652 -0.006,653 -0.049,654 -0.154,655 0.095,656 -0.266,657 1.242,658 3.917,659 0.846,660 21,661 1.019,662 1.116,663 3.488,664 12.164,665 0.732,666 3.401,667 3.738,668 4.06,669 4.394,670 4.644,671 4.787,672 4.97,673 5.112,674 5.124,675 5.043,676 5.283,677 0.7,678 386.89,679 3.401,680 4.949,681 5.82,682 6.72,683 7.619,684 8.532,685 9.444,686 10.363,687 11.282,688 12.205,689 9.8,695 1,698 1,699 2,704 4,705 2,707 1,708 1,709 8,711 16,713 1,726 1,730 1,731 41,733 17,734 1,735 29,737 44,738 18,739 12,740 2,741 4,746 4,747 4,748 1,752 1,760 1,761 12,762 5,777 1,778 1,781 15,782 6,784 8,785 2,790 4,794 1,795 2,811 2,812 2,839 1,840 4,842 1,844 1,845 1,848 26,854 4,856 1,859 1,861 1,865 1,866 1,868 1,869 1,870 4.9,874 1,875 1,877 13,878 8.026,879 5.75,880 2.49,881 2.606,882 1.358,883 0.998,884 4.946,885 9.875,886 3.689,887 4.277,888 4.916,889 5.565,890 6.059,891 6.49,892 6.93,893 7.38,894 7.657,895 7.751,896 0.833,897 41,898 9.56,900 4.08,901 7.761,902 18.202,904 14.977,905 2.261,906 58.778,909 1,910 176.567,911 133.391,912 67.51,913 39.149,914 20.507,916 31.278,917 102.113,918 236.222,919 67.51,920 8.825,921 13.396,922 37.905,923 70.968,924 57.678,925 1.358,926 207.844,927 39.149,928 176.567,929 169.623,930 20.507,931 70.426,933 176.567,934 9.507,935 11,937 64.25,938 72.047,939 72.475,940 31.278,941 176.567,942 88.017,943 172.54,946 176.567,947 70.059,948 49.855,949 16.602,950 124.041,951 176.567,952 88.017,953 172.54,955 0.578,956 0.345,957 0.201,958 0.117,959 21,960 9,961 0.068,962 3,964 1,965 3.679,966 233.607,968 22,969 114.211,970 1,974 17.477,975 7.358,976 3.382,978 88.017,979 7.433,980 8.11,982 5.665,983 1.501,984 5.58,987 437.123,988 39,999 41.764,1000 45.767,1001 0.346,1002 0.718,1003 0.833,1004 0.851,1005 0.851,1006 0.851,1007 4.942,1008 1.209,1009 5.808,1010 3.698,1011 4.419,1012 4.963,1013 2.461,1014 6.661,1015 4.282,1016 6.157,1017 1,1018 7.386,1019 3.407,1020 4.007,1021 4.745,1022 0.325,1023 7.656,1024 3.797,1025 7.471,1026 1,1027 9.068,1028 2.516,1029 6.038,1030 7.17,1031 3.606,1032 10.819,1033 5.799,1034 8.824,1035 0.939,1036 10.815,1037 2.275,1038 6.494,1039 7.853,1040 0.268,1041 12.711,1042 6.196,1043 10.213,1044 0.703,1045 12.605,1046 2.136,1047 7.978,1048 9.699,1049 4.97,1050 15.405,1051 7.649,1052 11.628,1053 0.421,1054 14.426,1055 1.683,1056 8.83,1057 10.797,1058 0.188,1059 17.659,1060 8.449,1061 13.065,1062 -0.171,1063 16.272,1064 0.746,1065 10.111,1066 12.415,1067 6.379,1068 20.211,1069 9.696,1070 3.347,1071 -0.612,1072 18.135,1073 -0.347,1074 11.148,1075 13.713,1076 0.125,1077 22.611,1078 10.685,1079 2.772,1080 12.209,1081 20.014,1082 -1.386,1083 12.359,1084 15.241,1085 7.797,1086 25.121,1087 11.857,1088 2.653,1089 9.318,1090 21.904,1091 4.461,1092 13.482,1093 16.635,1094 0.082,1095 27.579,1096 12.933,1097 2.362,1098 8.218,1099 23.804,1100 3.717,1101 14.674,1102 18.131,1103 9.217,1104 30.078,1105 14.083,1106 2.018,1107 6.456,1108 25.712,1109 3.558,1110 15.837,1111 19.572,1112 0.054,1113 32.56,1114 15.199,1115 1.977,1116 5.845,1117 27.627,1118 2.942,1119 17.027,1120 21.058,1121 10.638,1122 35.059,1123 16.346,1124 1.515,1125 5.601,1126 29.547,1127 2.644,1128 18.209,1129 22.522,1130 0.035,1131 37.551,1132 17.482,1133 6758,1134 12468,1135 19.592,1136 30.006,1137 45.504,1138 46.989,1139 45.613,1140 44.029,1141 43.83,1142 57.267,1143 7.389,1144 128.216,1145 40.575,1146 5.707,1147 6.094,1148 6.864,1149 5.452,1150 5.347,1151 7.461,1152 4.069,1153 19.749,1154 5.191,1155 11.246,1156 1.569,1157 1.62,1158 1.573,1159 1.518,1160 1.511,1161 1.975,1162 0.255,1163 4.421,1164 1.399,1165 4.061,1166 4.07,1167 4.303,1168 4.048,1169 6.82,1170 4.011,1171 3.823,1172 3.849,1173 3.963,1174 3.752,1175 5.259,1176 3.729,1177 3.771,1178 3.816,1179 3.741,1180 3.511,1181 4.943,1182 3.551,1183 3.587,1184 3.611,1185 3.57,1186 3.418,1187 4.647,1188 3.434,1189 3.111,1190 3.206,1191 3.321,1192 2.95,1193 4.475,1194 2.947,1195 3.095,1196 3.163,1197 3.183,1198 2.941,1199 4.188,1200 2.91,1201 2.926,1202 2.999,1203 2.866,1204 2.819,1205 3.952,1206 2.778,1207 2.882,1208 2.925,1209 2.792,1210 2.735,1211 3.777,1212 2.715,1213 0.162,1214 0.141,1215 0.244,1216 0.148,1217 0.115,1218 4.707,1219 0.154,1220 4.094,1221 0.07,1222 7.062,1223 0.421,1224 4.297,1225 0.11,1226 3.347,1227 4.461,1228 2.035,1229 12.209,1230 3.191,1231 1.919,1232 1.903,1233 1.993,1234 1.983,1235 1.21,1236 1.991,1237 1.725,1238 1.679,1239 1.912,1240 1.941,1241 1.123,1242 1.942,1243 1.506,1244 1.501,1245 1.697,1246 1.71,1247 0.825,1248 1.697,1249 1.427,1250 1.39,1251 1.516,1252 1.59,1253 0.741,1254 1.571,1255 1.343,1256 1.317,1257 1.513,1258 1.48,1259 0.668,1260 1.466,1261 1.153,1262 1.064,1263 1.254,1264 1.376,1265 0.571,1266 1.429,1267 0.886,1268 0.821,1269 1.181,1270 1.113,1271 0.218,1272 1.107,1273 0.832,1274 0.806,1275 1.041,1276 1.062,1277 0.176,1278 1.092,1279 4.078,1281 5.407,1282 3.045,1283 6.932,1284 5.416,1285 8.547,1286 7.535,1287 10.213,1289 1.75,1290 6.034,1295 2.789,1297 5.442,1300 2.179,1303 9.917,1304 2.377,1305 28.691,1306 75.998,1307 157.606,1308 182.905,1309 186.905,1310 186.905,1311 186.905,1312 38.36,1313 7.269,1314 75.18,1315 103.42,1316 22,1317 12.712,1318 4.17,1319 3.459,1320 37.524,1321 79,1322 90,1323 0.231,1324 182.146,1325 309.36,1326 436.196,1327 11439,1328 2.4,1329 18.096,1330 0.696,1331 0.6,1332 18.949,1333 15.602,1334 12.669,1335 0.437,1336 0.322,1337 8.101,1338 11.407,1339 7.814,1340 6.396,1341 13.366,1342 9.326,1343 11.309,1344 0.276,1345 0.177,1346 12.307,1347 7.266,1348 9.756,1349 0.171,1350 0.099,1351 10.937,1352 5.643,1353 8.445,1354 0.106,1355 0.054,1356 9.698,1357 4.315,1358 7.001,1359 0.068,1360 0.03,1361 8.284,1362 3.098,1363 0.345,1364 86.925,1365 0.226,1366 24.363,1367 0.699,1368 140,1369 453.115,1370 195.556,1371 484.676,1372 655.48,1373 454,1374 168,1375 448.202,1376 219.592,1377 475.129,1378 700.46,1379 447,1380 5.893}
{0 CHEMBL2017653,1 1.921,2 8.308,3 3.864,4 14.93,5 103.29,6 10.418,7 0.552,8 3.815,9 3.904,10 3.706,11 3.462,12 5.006,13 3.433,14 4.337,15 4.47,16 4.128,17 3.877,18 5.46,19 3.825,20 4.508,21 4.664,22 4.237,23 4.027,24 5.583,25 3.925,26 4.499,27 4.63,28 4.397,29 4.107,30 5.669,31 3.988,32 4.548,33 4.685,34 4.348,35 4.094,36 5.756,37 3.999,38 4.546,39 4.695,40 4.253,41 3.939,42 5.969,43 3.909,44 4.53,45 4.709,46 4.207,47 3.87,48 5.848,49 3.812,50 4.516,51 4.729,52 3.808,53 3.692,54 5.67,55 3.558,56 0.12,57 0.605,58 3.286,59 3.026,60 10.594,61 3.123,62 0.365,63 0.988,64 10.456,65 5.631,66 22.699,67 5.338,68 0.472,69 1.103,70 20.334,71 7.898,72 32.191,73 8.182,74 0.35,75 1.171,76 25.71,77 8.928,78 28.794,79 9.165,80 0.33,81 1.239,82 27.058,83 9.526,84 28.131,85 9.312,86 0.455,87 1.236,88 12.717,89 6.36,90 62.542,91 6.206,92 0.517,93 1.158,94 15.098,95 5.95,96 59.832,97 5.324,98 0.671,99 0.968,100 24.687,101 7.383,102 62.542,103 8.059,104 11,105 41,106 0.337,107 0.717,108 0.807,109 0.837,110 0.837,111 0.837,112 3.306,113 0.98,114 -4.72,115 -4.63,116 -4.35,119 43.6,125 4,142 3,143 3,144 2,149 1,152 1,153 1,158 1,160 1,168 1,172 4,174 1,175 3,178 1,183 11,186 1,187 6,195 8,198 1,199 7,204 2,207 7,211 2,212 6,217 2,220 4,223 2,224 13,227 1,229 1,232 1,236 1,237 1,240 1,242 3,245 1,249 2,250 5,263 3,266 1,268 1,275 1010,276 17.922,277 17.922,278 17.922,279 17.922,280 17.922,281 15.908,282 15.271,283 10.597,284 18.73,285 14.275,286 14.275,287 14.275,288 14.275,289 14.275,290 11.15,291 16.84,292 4.944,293 15.695,294 3.364,295 1.199,296 0.686,297 0.513,298 0.513,299 0.513,300 4,301 2,304 1,305 1,306 469,307 2.345,310 136.563,311 164.952,318 1.178,319 26.029,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 56.167,331 216,332 4.725,333 4.095,334 7.102,335 4.314,336 3.366,337 4.483,338 2.035,339 12.354,340 3.195,341 4.174,342 3.391,343 6.319,344 3.741,345 2.826,346 3.802,347 0.86,348 9.492,349 2.562,350 4.012,351 3.153,352 6.058,353 3.602,354 2.678,355 3.518,356 0.8,357 8.642,358 2.46,359 3.622,360 2.883,361 5.509,362 3.25,363 2.328,364 2.905,366 6.939,367 2.119,368 3.468,369 2.683,370 4.996,371 2.924,372 2.037,373 2.513,375 5.727,376 1.753,377 3.262,378 2.448,379 4.681,380 2.597,381 1.695,382 2.371,384 4.544,385 1.492,386 2.883,387 2.179,388 4.4,389 2.451,390 1.589,391 1.993,393 4.097,394 1.329,395 2.854,396 1.755,397 4.058,398 2.294,399 1.38,400 1.744,402 3.348,403 1.215,404 2.573,405 1.628,406 3.563,407 1.952,408 1,409 1.341,411 2.506,412 0.946,413 2.259,414 1.256,415 3.388,416 1.824,417 0.967,418 1.139,420 2.136,421 0.819,422 2.158,423 1.146,424 3.247,425 1.805,426 0.887,427 1,428 2.097,429 0.794,430 2.118,431 0.901,432 3.036,433 1.554,434 0.618,435 0.927,436 1.372,437 0.577,438 2,439 0.618,440 3,441 1.313,442 0.422,443 0.73,445 0.784,446 0.367,447 1.329,448 0.484,449 2.598,450 0.804,451 -0.048,452 -0.066,454 -0.099,455 -0.035,456 0.798,457 0.256,458 2.415,459 0.303,460 -0.514,461 -0.621,463 -1.242,464 -0.293,465 13.095,466 0.504,467 0.572,468 0.022,469 35,470 1.346,471 17.5,472 0.673,473 17.5,474 0.673,475 22.916,476 0.881,477 26.505,478 0.68,479 24.016,480 0.924,481 6.645,482 0.256,483 6.041,484 0.232,485 0.14,487 0.336,493 0.744,494 1.128,495 0.539,496 0.775,497 0.487,498 0.744,499 1.136,500 0.846,501 0.684,502 0.653,503 0.612,504 0.685,505 1.039,506 0.84,507 0.958,508 0.818,509 0.764,510 0.815,511 0.595,512 1.14,513 1.04,514 1.226,515 0.736,516 0.956,517 0.644,518 1.289,519 1.004,520 1.32,521 0.838,522 1.003,523 0.815,524 1.368,525 0.77,526 1.093,527 1.477,528 1.097,529 1.239,530 1.093,531 0.799,532 0.747,533 1.731,534 0.998,535 1.125,536 0.883,537 1.259,538 1.129,539 1.079,540 1.379,541 4,542 0.025,543 2.889,544 2.069,545 1.994,546 1.264,547 0.671,548 0.432,549 0.191,550 0.109,551 6903,552 25208,553 2.124,554 33.3,556 11,558 1,559 1,564 1.703,565 2,566 2.996,567 -0.218,569 1,573 74.928,574 1.921,575 4.087,576 4.599,577 4.773,578 4.773,579 4.773,580 2.459,581 4.162,582 4.67,583 3.144,584 1021.92,585 8.158,586 12286.6,588 1,590 1,591 206.131,592 1.37,593 4.637,594 0.138,595 0.008,596 0.07,597 0.049,598 0.043,599 0.026,600 0.015,601 0.012,602 0.009,603 0.01,604 0.381,605 0.33,606 1,607 0.721,608 122.997,609 -0.037,610 -0.058,611 0.014,612 0.007,613 0.058,614 0.008,615 -0.183,616 0.205,617 0.03,618 0.237,619 -0.031,620 0.159,621 -0.123,622 0.131,623 0.01,624 0.211,625 -0.047,626 0.166,627 0.096,628 -0.116,629 0.058,630 -0.041,631 0.088,632 0.044,633 0.058,634 -0.236,635 -0.024,636 -0.185,637 0.026,638 -0.035,639 0.072,640 -0.271,641 -0.071,642 -0.307,643 0.026,644 -0.298,645 -0.217,646 -0.005,647 -0.019,648 0.014,649 -0.281,650 -0.174,651 -0.004,652 0.021,653 -0.215,654 -0.249,655 -0.086,656 -0.359,657 1.183,658 3.929,659 0.846,660 20.101,661 1.025,662 1.118,663 3.488,664 12.164,665 0.76,666 3.401,667 3.738,668 4.078,669 4.419,670 4.654,671 4.82,672 4.963,673 5.081,674 5.1,675 5.004,676 5.162,677 0.726,678 406.32,679 3.401,680 4.949,681 5.826,682 6.73,683 7.634,684 8.551,685 9.467,686 10.39,687 11.312,688 12.239,689 12.8,695 1,697 1,698 1,699 2,704 4,705 2,706 1,708 1,709 8,711 16,713 1,726 1,730 2,731 39,733 17,734 1,735 29,737 42,738 17,739 12,740 3,741 3,746 4,747 4,748 2,760 1,761 12,762 4,778 1,781 13,782 5,783 1,784 9,785 3,790 5,794 1,795 1,811 2,812 2,839 1,840 4,842 1,845 2,848 26,854 4,856 1,859 1,861 1,865 1,866 1,867 1,868 1,869 2,870 2.6,874 1,877 13,878 7.252,879 5.778,880 2.303,881 2.625,882 1.362,883 1.013,884 5.143,885 9.885,886 3.689,887 4.277,888 4.927,889 5.582,890 6.062,891 6.525,892 6.919,893 7.341,894 7.629,895 7.728,896 0.833,897 42,898 9.55,900 4.108,901 7.803,902 18.086,904 14.971,905 2.303,906 59.889,910 141.253,911 119.497,912 84.295,913 78.297,914 11,916 31.278,917 88.219,918 230.55,919 84.295,921 13.396,922 28.429,923 81.44,924 70.662,925 1.358,926 160.76,927 78.297,928 141.253,929 172.514,930 11,931 109.575,933 143.581,935 11,937 70.667,938 66.071,939 111.746,940 31.278,941 141.253,942 95.295,943 197.794,946 141.253,947 65.848,948 40.172,949 33.265,950 153.805,951 141.253,952 95.295,953 197.794,955 0.576,956 0.352,957 0.209,958 0.116,959 21,960 9,961 0.071,962 3,964 1,965 3.647,966 235.734,968 22,969 118.211,970 1,974 17.749,975 7.533,976 3.359,978 78.632,979 6.779,980 8.482,981 2.732,983 1.494,984 5.291,986 16.663,987 434.342,988 39,999 39.978,1000 43.585,1001 0.363,1002 0.773,1003 0.87,1004 0.903,1005 0.903,1006 0.903,1007 4.942,1008 1.38,1009 5.814,1010 4.097,1011 4.419,1012 4.963,1013 2.461,1014 6.681,1015 4.238,1016 6.157,1017 1,1018 7.401,1019 3.348,1020 4.007,1021 4.745,1022 0.325,1023 7.706,1024 3.714,1025 7.474,1026 0.967,1027 9.095,1028 2.506,1029 6.047,1030 7.177,1031 3.606,1032 10.884,1033 5.738,1034 8.831,1035 0.887,1036 10.855,1037 2.136,1038 6.524,1039 7.879,1040 0.268,1041 12.795,1042 6.132,1043 10.225,1044 0.618,1045 12.658,1046 2.097,1047 8.006,1048 9.719,1049 4.97,1050 15.501,1051 7.59,1052 11.647,1053 0.422,1054 14.492,1055 1.372,1056 8.879,1057 10.838,1058 0.188,1059 17.764,1060 8.4,1061 13.09,1062 -0.048,1063 16.348,1064 0.784,1065 10.161,1066 12.453,1067 6.379,1068 20.326,1069 9.649,1070 3.366,1071 -0.514,1072 18.221,1073 -0.099,1074 11.214,1075 13.767,1076 0.125,1077 22.733,1078 10.647,1079 2.826,1080 12.354,1081 20.107,1082 -1.242,1083 12.428,1084 15.296,1085 7.797,1086 25.252,1087 11.824,1088 2.678,1089 9.492,1090 22.003,1091 4.483,1092 13.56,1093 16.7,1094 0.082,1095 27.719,1096 12.908,1097 2.328,1098 8.642,1099 23.909,1100 3.802,1101 14.756,1102 18.199,1103 9.217,1104 30.228,1105 14.063,1106 2.037,1107 6.939,1108 25.821,1109 3.518,1110 15.925,1111 19.647,1112 0.054,1113 32.72,1114 15.185,1115 1.695,1116 5.727,1117 27.74,1118 2.905,1119 17.12,1120 21.136,1121 10.638,1122 35.229,1123 16.337,1124 1.589,1125 4.544,1126 29.665,1127 2.513,1128 18.307,1129 22.607,1130 0.035,1131 37.732,1132 17.477,1133 6629,1134 12805,1135 19.592,1136 29.654,1137 45.253,1138 46.822,1139 45.194,1140 43.931,1141 43.586,1142 56.932,1143 7.389,1144 128.075,1145 39.259,1146 5.725,1147 6.095,1148 6.904,1149 5.473,1150 5.366,1151 7.483,1152 4.069,1153 19.907,1154 5.195,1155 10.968,1156 1.56,1157 1.615,1158 1.558,1159 1.515,1160 1.503,1161 1.963,1162 0.255,1163 4.416,1164 1.354,1165 4.062,1166 4.081,1167 4.311,1168 4.054,1169 6.82,1170 4.017,1171 3.827,1172 3.873,1173 4.047,1174 3.766,1175 5.135,1176 3.74,1177 3.771,1178 3.832,1179 3.726,1180 3.512,1181 5.012,1182 3.546,1183 3.583,1184 3.612,1185 3.594,1186 3.399,1187 4.652,1188 3.421,1189 3.111,1190 3.206,1191 3.552,1192 2.941,1193 4.623,1194 2.91,1195 3.036,1196 3.079,1197 3.213,1198 2.899,1199 4.408,1200 2.901,1201 2.895,1202 2.928,1203 3.075,1204 2.85,1205 4.042,1206 2.8,1207 2.873,1208 2.921,1209 2.866,1210 2.777,1211 3.72,1212 2.748,1213 0.163,1214 0.141,1215 0.245,1216 0.149,1217 0.116,1218 4.725,1219 0.155,1220 4.095,1221 0.07,1222 7.102,1223 0.426,1224 4.314,1225 0.11,1226 3.366,1227 4.483,1228 2.035,1229 12.354,1230 3.195,1231 1.914,1232 1.904,1233 1.956,1234 1.973,1235 1.21,1236 1.977,1237 1.725,1238 1.679,1239 1.909,1240 1.934,1241 1.123,1242 1.939,1243 1.502,1244 1.487,1245 1.524,1246 1.678,1247 0.825,1248 1.627,1249 1.37,1250 1.361,1251 1.513,1252 1.596,1253 0.684,1254 1.582,1255 1.296,1256 1.194,1257 1.482,1258 1.486,1259 0.578,1260 1.48,1261 1.153,1262 1.064,1263 1.293,1264 1.376,1265 0.347,1266 1.429,1267 0.872,1268 0.826,1269 1.101,1270 1.113,1271 0.181,1272 1.099,1273 0.857,1274 0.823,1275 1.05,1276 1.023,1277 0.167,1278 1.062,1279 4.078,1281 5.407,1282 3.045,1283 6.938,1284 5.352,1285 8.565,1286 7.445,1287 10.246,1290 12.496,1295 2.735,1297 5.436,1300 2.163,1303 9.929,1304 2.355,1305 28.298,1306 74.928,1307 159.376,1308 179.376,1309 186.131,1310 186.131,1311 186.131,1312 40.576,1313 7.261,1314 77.83,1315 106.07,1316 22,1317 12.744,1318 4.17,1319 3.459,1320 37.495,1321 77,1322 86,1323 0.237,1324 183.684,1325 309.48,1326 439.95,1327 11314,1328 5.1,1329 18.096,1330 0.696,1331 0.609,1332 19.449,1333 15.827,1334 12.686,1335 0.437,1336 0.327,1337 7.907,1338 11.181,1339 7.642,1340 6.221,1341 13.671,1342 9.471,1343 11.215,1344 0.274,1345 0.183,1346 12.583,1347 7.487,1348 9.807,1349 0.169,1350 0.102,1351 11.294,1352 5.913,1353 8.716,1354 0.106,1355 0.057,1356 10.528,1357 4.698,1358 6.816,1359 0.066,1360 0.031,1361 8.334,1362 3.221,1363 0.351,1364 89.885,1365 0.226,1366 24.257,1367 0.722,1368 140,1369 449.916,1370 208.145,1371 516.64,1372 685.9,1373 482,1374 169,1375 439.964,1376 229.483,1377 480.588,1378 710.08,1379 452,1380 7.456}
{0 CHEMBL2017654,1 1.855,2 9.074,3 2.62,4 6.862,5 99.634,6 9.511,7 0.533,8 3.838,9 3.935,10 3.652,11 3.445,12 5.125,13 3.441,14 4.35,15 4.49,16 4.036,17 3.841,18 5.533,19 3.818,20 4.53,21 4.697,22 4.144,23 3.981,24 5.722,25 3.922,26 4.549,27 4.698,28 4.252,29 4.058,30 5.85,31 3.985,32 4.595,33 4.745,34 4.257,35 4.028,36 6.019,37 3.988,38 4.562,39 4.722,40 4.114,41 3.896,42 6.11,43 3.893,44 4.551,45 4.741,46 3.965,47 3.801,48 5.949,49 3.8,50 4.569,51 4.797,52 3.668,53 3.651,54 5.854,55 3.595,56 0.129,57 0.723,58 4.695,59 3.303,60 15.541,61 3.214,62 0.377,63 1.154,64 12.007,65 5.722,66 30.598,67 5.372,68 0.475,69 1.385,70 17.562,71 7.724,72 46.553,73 7.893,74 0.352,75 1.531,76 20.984,77 8.996,78 53.657,79 8.878,80 0.447,81 1.638,82 25.063,83 9.566,84 77.369,85 8.988,86 0.557,87 1.531,88 14,89 6.338,90 90.934,91 6.436,92 0.546,93 1.427,94 13.346,95 5.529,96 71.579,97 5.319,98 0.69,99 1.357,100 18.737,101 7.019,102 89.128,103 7.291,104 14,105 42,106 0.321,107 0.71,108 0.796,109 0.825,110 0.834,111 0.834,112 3.342,113 0.9,114 -3.77,115 -3.73,116 -3.55,119 45,125 4,142 3,143 4,144 1,149 1,152 1,153 1,158 2,160 1,168 1,172 6,174 1,175 4,178 1,183 8,186 1,187 8,195 6,198 1,199 8,204 2,207 4,211 2,212 7,217 2,220 3,223 2,224 10,227 1,229 1,232 1,236 1,237 6,240 1,242 2,249 2,250 2,255 1,262 4,263 2,266 1,275 1149,276 18.792,277 18.792,278 18.792,279 18.792,280 18.792,281 16.739,282 17.021,283 11.099,284 19.415,285 14.702,286 14.702,287 14.702,288 14.702,289 14.702,290 11.389,291 18.682,292 5.091,293 15.751,294 3.467,295 1.219,296 0.719,297 0.55,298 0.5,299 0.5,300 4.036,303 1,304 1,305 1,306 530,307 2.55,310 144.096,311 173.87,318 1.204,319 36.11,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 59.5,331 245,332 4.726,333 4.095,334 7.102,335 4.317,336 3.366,337 4.484,338 2.035,339 12.354,340 3.212,341 4.215,342 4.058,343 6.32,344 3.78,345 2.836,346 3.843,347 2.035,348 9.499,349 2.676,350 4.013,351 3.378,352 6.062,353 3.616,354 2.684,355 3.52,356 0.86,357 8.667,358 2.49,359 3.791,360 3.098,361 5.538,362 3.33,363 2.367,364 3.057,365 0.8,366 7.142,367 2.269,368 3.531,369 2.831,370 5.199,371 3.057,372 2.104,373 2.581,375 6.195,376 1.995,377 3.339,378 2.46,379 4.722,380 2.624,381 1.702,382 2.371,384 4.593,385 1.556,386 2.96,387 2.279,388 4.407,389 2.468,390 1.591,391 1.993,393 4.118,394 1.38,395 2.877,396 2.165,397 4.062,398 2.312,399 1.38,400 1.756,402 3.348,403 1.269,404 2.854,405 1.749,406 3.565,407 1.952,408 1,409 1.39,411 2.516,412 0.946,413 2.553,414 1.624,415 3.39,416 1.87,417 0.975,418 1.192,420 2.136,421 0.868,422 2.259,423 1.256,424 3.247,425 1.807,426 0.911,427 1,428 2.107,429 0.801,430 2.153,431 1.13,432 3.065,433 1.554,434 0.618,435 0.927,436 1.372,437 0.577,438 2.118,439 0.885,440 3,441 1.445,442 0.516,443 0.91,445 0.945,446 0.475,447 2,448 0.618,449 2.82,450 1.272,451 0.364,452 0.697,454 0.56,455 0.328,456 1.282,457 0.434,458 2.522,459 0.746,460 -0.162,461 -0.226,463 -0.319,464 -0.143,465 12.852,466 0.476,467 0.534,468 0.02,469 38.5,470 1.426,471 20.5,472 0.759,473 18,474 0.667,475 21.152,476 0.783,477 27.348,478 0.684,479 28.192,480 1.044,481 7.418,482 0.275,483 5.806,484 0.215,485 0.084,487 0.342,491 1,493 0.697,494 1.003,495 0.635,496 0.876,497 0.456,498 0.796,499 1.031,500 0.817,501 0.835,502 0.754,503 0.544,504 0.74,505 0.98,506 0.93,507 0.913,508 0.864,509 0.753,510 0.834,511 0.81,512 1.202,513 1.265,514 1.32,515 0.956,516 0.998,517 0.853,518 1.297,519 1.359,520 1.506,521 0.918,522 1.059,523 0.764,524 1.049,525 0.95,526 1.111,527 0.97,528 1.144,529 1.154,530 1.05,531 0.937,532 0.863,533 1.249,534 1.064,535 1.51,536 1.148,537 1.135,538 1.006,539 1.457,540 1.27,541 4,542 0.045,543 2.889,544 2.069,545 2.114,546 1.327,547 0.671,548 0.432,549 0.247,550 0.109,551 7684,552 27003,553 2.12,554 32.5,556 11,558 1,559 1,564 1.712,565 2,566 3.091,567 -0.236,568 1,569 1,573 74.203,574 1.855,575 4.103,576 4.603,577 4.772,578 4.822,579 4.822,580 2.596,581 4.31,582 4.722,583 3.243,584 1138.21,585 8.261,586 14003.2,587 1,588 1,590 1,591 212.877,592 1.352,593 4.694,594 0.133,595 0.006,596 0.069,597 0.047,598 0.044,599 0.027,600 0.015,601 0.011,602 0.009,603 0.007,604 0.369,605 0.5,606 1,607 0.806,608 129.866,609 -0.034,610 -0.056,611 0.047,612 0.002,613 0.052,614 0.008,615 -0.153,616 0.109,617 0.036,618 0.199,619 -0.016,620 0.145,621 -0.081,622 0.025,623 0.124,624 0.199,625 -0.015,626 0.167,627 -0.011,628 -0.151,629 0.018,630 -0.068,631 -0.018,632 0.024,633 0.073,634 -0.204,635 -0.088,636 -0.282,637 0.089,638 -0.066,639 0.161,640 -0.025,641 -0.18,642 -0.28,643 0.105,644 -0.316,645 -0.172,646 -0.043,647 -0.227,648 -0.114,649 -0.187,650 -0.231,651 -0.232,652 -0.069,653 -0.25,654 -0.14,655 -0.229,656 -0.278,657 2.228,658 6.774,659 0.815,660 21.901,661 1.027,662 1.128,663 2.537,664 6.438,665 0.728,666 3.434,667 3.761,668 4.111,669 4.443,670 4.682,671 4.852,672 5.011,673 5.13,674 5.17,675 5.094,676 5.408,677 0.713,678 380.44,679 3.434,680 4.977,681 5.855,682 6.756,683 7.661,684 8.575,685 9.492,686 10.414,687 11.336,688 12.262,689 15,695 1,697 1,698 2,699 2,704 4,705 2,706 1,708 1,709 8,711 16,713 2,726 1,730 1,731 40,733 18,734 1,735 30,737 43,738 18,739 12,740 3,741 3,746 4,747 4,760 2,761 12,762 4,777 1,778 1,779 1,781 13,782 7,783 1,784 9,785 1,790 6,794 1,795 1,811 2,812 2,839 1,840 4,842 1,846 1,848 27,854 4,856 1,859 1,861 2,865 1,866 2,867 1,868 2,869 1,870 2.5,874 1,877 13.5,878 7.56,879 6.111,880 2.38,881 2.803,882 1.382,883 1.009,884 4.857,885 10.145,886 3.761,887 4.317,888 4.99,889 5.631,890 6.123,891 6.597,892 7.033,893 7.435,894 7.793,895 7.928,896 1,897 44,898 9.972,900 4.36,901 8.025,902 18.493,904 15.229,905 2.525,906 68.167,909 1,910 141.253,911 141.404,912 115.355,914 11,915 14.96,916 31.278,917 110.126,918 152.253,919 130.315,921 13.396,922 28.429,923 98.042,924 107.027,925 16.319,926 160.76,928 141.253,929 225.481,930 25.96,931 31.278,933 158.541,935 11,937 101.726,938 87.978,939 33.449,940 31.278,941 156.213,942 126.354,943 141.404,946 141.253,947 71.153,948 40.172,949 49.867,950 121.527,951 141.253,952 141.315,953 141.404,955 0.571,956 0.356,957 0.209,958 0.116,959 21,960 9,961 0.07,962 3,964 1,965 3.733,966 246.909,968 22,969 124.382,970 1,974 17.613,975 7.446,976 3.189,978 124.652,979 5.669,980 8.303,981 2.658,983 1.36,984 2.496,986 16.663,987 423.972,988 42,999 41.062,1000 45.12,1001 0.349,1002 0.771,1003 0.865,1004 0.897,1005 0.906,1006 0.906,1007 5.017,1008 1.38,1009 5.838,1010 4.118,1011 4.443,1012 5.004,1013 2.996,1014 6.703,1015 4.313,1016 6.236,1017 1,1018 7.424,1019 3.348,1020 4.007,1021 4.745,1022 0.325,1023 7.73,1024 3.838,1025 7.552,1026 0.975,1027 9.117,1028 2.516,1029 6.071,1030 7.217,1031 4.264,1032 10.902,1033 5.842,1034 8.907,1035 0.911,1036 10.876,1037 2.136,1038 6.538,1039 7.904,1040 0.268,1041 12.811,1042 6.265,1043 10.298,1044 0.618,1045 12.679,1046 2.107,1047 8.026,1048 9.756,1049 5.656,1050 15.512,1051 7.705,1052 11.716,1053 0.516,1054 14.511,1055 1.372,1056 8.895,1057 10.867,1058 0.188,1059 17.772,1060 8.526,1061 13.155,1062 0.364,1063 16.365,1064 0.945,1065 10.178,1066 12.485,1067 7.071,1068 20.331,1069 9.765,1070 3.366,1071 -0.162,1072 18.236,1073 0.56,1074 11.227,1075 13.794,1076 0.125,1077 22.737,1078 10.767,1079 2.836,1080 12.354,1081 20.12,1082 -0.319,1083 12.44,1084 15.322,1085 8.49,1086 25.255,1087 11.938,1088 2.684,1089 9.499,1090 22.015,1091 4.484,1092 13.571,1093 16.724,1094 0.082,1095 27.721,1096 13.022,1097 2.367,1098 8.667,1099 23.919,1100 3.843,1101 14.766,1102 18.221,1103 9.911,1104 30.23,1105 14.174,1106 2.104,1107 7.142,1108 25.83,1109 3.52,1110 15.934,1111 19.668,1112 0.054,1113 32.722,1114 15.296,1115 1.702,1116 6.195,1117 27.748,1118 3.057,1119 17.128,1120 21.156,1121 11.331,1122 35.23,1123 16.447,1124 1.591,1125 4.593,1126 29.671,1127 2.581,1128 18.314,1129 22.625,1130 0.035,1131 37.733,1132 17.588,1133 7406,1134 14012,1135 20.285,1136 29.12,1137 47.578,1138 50.249,1139 46.6,1140 44.861,1141 44.828,1142 59.442,1143 11.459,1144 131.103,1145 41.683,1146 5.726,1147 6.095,1148 6.904,1149 5.476,1150 5.366,1151 7.484,1152 4.069,1153 19.908,1154 5.212,1155 11.35,1156 1.586,1157 1.675,1158 1.553,1159 1.495,1160 1.494,1161 1.981,1162 0.382,1163 4.37,1164 1.389,1165 4.068,1166 4.088,1167 4.302,1168 4.051,1169 8.201,1170 4.018,1171 3.847,1172 3.893,1173 3.855,1174 3.769,1175 6.822,1176 3.755,1177 3.771,1178 3.838,1179 3.726,1180 3.512,1181 6.818,1182 3.546,1183 3.594,1184 3.628,1185 3.563,1186 3.403,1187 5.13,1188 3.428,1189 3.167,1190 3.212,1191 3.232,1192 3.016,1193 4.67,1194 3.039,1195 3.111,1196 3.206,1197 3.157,1198 2.941,1199 4.585,1200 2.91,1201 3.016,1202 3.058,1203 2.866,1204 2.898,1205 4.337,1206 2.878,1207 2.895,1208 2.955,1209 2.801,1210 2.733,1211 3.741,1212 2.734,1213 0.158,1214 0.137,1215 0.237,1216 0.144,1217 0.112,1218 4.726,1219 0.149,1220 4.095,1221 0.068,1222 7.102,1223 0.412,1224 4.317,1225 0.107,1226 3.366,1227 4.484,1228 2.035,1229 12.354,1230 3.212,1231 1.93,1232 1.914,1233 1.993,1234 2.002,1235 1.21,1236 1.999,1237 1.726,1238 1.68,1239 1.913,1240 1.947,1241 1.12,1242 1.944,1243 1.526,1244 1.51,1245 1.549,1246 1.68,1247 0.825,1248 1.63,1249 1.37,1250 1.361,1251 1.513,1252 1.619,1253 0.694,1254 1.6,1255 1.296,1256 1.194,1257 1.482,1258 1.486,1259 0.578,1260 1.481,1261 1.153,1262 1.064,1263 1.294,1264 1.376,1265 0.347,1266 1.429,1267 1.056,1268 1.014,1269 1.149,1270 1.252,1271 0.184,1272 1.21,1273 0.858,1274 0.804,1275 1.062,1276 1.107,1277 0.156,1278 1.088,1279 4.111,1281 5.434,1282 3.045,1283 6.963,1284 5.352,1285 8.589,1286 7.445,1287 10.269,1291 14.774,1295 2.439,1297 5.393,1300 2.063,1303 18.863,1304 4.149,1305 28.521,1306 74.203,1307 164.122,1308 184.122,1309 190.877,1310 192.877,1311 192.877,1312 53.48,1313 7.342,1314 101.62,1315 129.86,1316 22,1317 12.768,1318 4.248,1319 3.7,1320 39.686,1321 83,1322 106,1323 0.23,1324 178.749,1325 308.15,1326 427.907,1327 12567,1328 2.5,1329 18.803,1330 0.696,1331 0.551,1332 18.286,1333 14.885,1334 13.224,1335 0.441,1336 0.3,1337 8.099,1338 12.165,1339 7.915,1340 6.471,1341 13.221,1342 9,1343 11.384,1344 0.271,1345 0.163,1346 11.434,1347 6.826,1348 10.231,1349 0.171,1350 0.092,1351 10.721,1352 5.532,1353 8.929,1354 0.106,1355 0.051,1356 9.598,1357 4.291,1358 7.089,1359 0.066,1360 0.028,1361 7.766,1362 2.969,1363 0.344,1364 87.982,1365 0.222,1366 25.139,1367 0.694,1368 144,1369 527.265,1370 185.631,1371 508.462,1372 681.22,1373 474,1374 174,1375 472.981,1376 217.172,1377 489.983,1378 719.57,1379 460,1380 7.102}
{0 CHEMBL2017965,1 1.669,2 10.903,3 3.951,4 15.61,5 121.318,6 8.509,7 0.657,8 4.068,9 4.187,10 3.754,11 3.613,12 5.211,13 3.617,14 4.58,15 4.74,16 4.129,17 4,18 5.71,19 3.985,20 4.806,21 5.003,22 4.198,23 4.136,24 5.869,25 4.087,26 4.803,27 5.026,28 4.17,29 4.072,30 5.894,31 4.007,32 4.732,33 4.951,34 4.066,35 4.016,36 5.781,37 3.961,38 4.661,39 4.849,40 4.146,41 4.008,42 5.761,43 3.972,44 4.77,45 4.976,46 4.13,47 4.103,48 5.797,49 4.039,50 4.853,51 5.058,52 4.163,53 4.161,54 5.892,55 4.068,56 0.078,57 0.824,58 8.37,59 3.947,60 9.528,61 4.835,62 0.343,63 1.298,64 17.12,65 6.805,66 24.818,67 8.342,68 0.453,69 1.537,70 25.391,71 8.555,72 34.112,73 10.97,74 0.49,75 1.493,76 28.012,77 8.721,78 47.945,79 11.873,80 0.479,81 1.399,82 26.857,83 7.99,84 39.279,85 10.688,86 0.401,87 1.372,88 20.664,89 7.202,90 28.387,91 9.518,92 0.408,93 1.461,94 24.749,95 8.647,96 31.887,97 11.329,98 0.406,99 1.478,100 31.404,101 10.763,102 42.468,103 13.915,104 5,105 49,106 0.276,107 0.636,108 0.789,109 0.859,110 0.866,111 0.866,112 3.472,113 0.881,114 -4.28,115 -4.22,116 -3.98,119 43.1,125 4,142 7,143 2,144 2,145 2,146 2,147 2,150 1,163 1,164 1,165 1,172 5,174 3,175 7,177 1,178 2,180 3,183 9,185 1,186 1,187 3,190 1,192 1,195 4,198 1,199 9,202 2,204 4,207 4,209 2,211 3,212 2,217 2,220 1,223 2,224 7,226 1,227 2,229 4,232 2,234 1,236 2,237 7,240 1,245 3,250 4,252 2,253 2,254 1,257 1,258 4,262 2,263 10,271 4,275 1673,276 21.325,277 21.325,278 21.325,279 21.325,280 21.325,281 18.621,282 24.705,283 12.684,284 22.02,285 17.347,286 17.347,287 17.347,288 17.347,289 17.347,290 13.279,291 39.269,292 6.111,293 18.525,294 4.004,295 1.822,296 0.895,297 0.471,298 0.431,299 0.431,300 4.186,301 1,304 1,305 1,306 751,307 2.449,311 454.123,315 140.321,318 1.473,319 26.487,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 66.833,331 338,332 4.449,333 3.268,334 6.502,335 4.035,336 3.091,337 4.338,338 0.86,339 10.196,340 2.918,341 4.401,342 3.111,343 6.187,344 3.905,345 2.928,346 4.133,347 0.8,348 9.246,349 2.861,350 4.119,351 2.965,352 6.146,353 3.731,354 2.814,355 3.692,356 0.4,357 9.068,358 2.567,359 3.74,360 2.692,361 5.543,362 3.429,363 2.49,364 3.097,366 7.507,367 2.332,368 3.629,369 2.41,370 5.249,371 3.232,372 2.283,373 2.958,375 6.566,376 2.161,377 3.396,378 2.285,379 4.979,380 2.978,381 2.033,382 2.686,384 5.855,385 1.918,386 3.118,387 2.189,388 4.676,389 2.637,390 1.733,391 2.427,393 4.803,394 1.565,395 3.072,396 1.977,397 4.414,398 2.586,399 1.674,400 2.273,402 4.358,403 1.553,404 2.903,405 1.618,406 4.367,407 2.543,408 1.618,409 2.074,411 4.235,412 1.409,413 2.871,414 1.465,415 3.933,416 2.39,417 1.397,418 1.946,420 3.133,421 1.372,422 2.657,423 1.39,424 3.616,425 2.14,426 1.212,427 1.726,428 2.997,429 1.103,430 2.203,431 1.256,432 3.491,433 1.952,434 1.045,435 1.176,436 2.591,437 0.946,438 2.184,439 1.196,440 3.247,441 1.928,442 1,443 1.036,445 2.136,446 0.917,447 2,448 0.719,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.368,457 0.357,458 2.968,459 0.992,460 0.048,461 0.061,463 0.135,464 0.045,465 14.848,466 0.479,467 0.691,468 0.022,469 45.25,470 1.46,471 23.5,472 0.758,473 21.75,474 0.702,475 23.442,476 0.756,477 31.952,478 0.627,479 33.972,480 1.096,481 8.884,482 0.287,483 6.269,484 0.202,485 0.075,487 0.33,493 0.916,494 1.369,495 0.609,496 0.961,497 0.926,498 0.839,499 1.096,500 1.026,501 0.738,502 0.85,503 0.754,504 0.846,505 1.18,506 1.103,507 0.958,508 0.902,509 1.046,510 0.935,511 0.788,512 1.069,513 0.934,514 1.017,515 0.853,516 0.991,517 1.03,518 0.998,519 1.068,520 0.887,521 1.023,522 0.89,523 0.731,524 1.136,525 0.804,526 1.067,527 0.613,528 1.019,529 0.958,530 0.974,531 0.954,532 0.942,533 0.956,534 0.976,535 1.008,536 1.052,537 1.229,538 1.171,539 1.033,540 1.123,541 6,542 0.169,543 2.889,544 1.875,545 1.413,546 1.069,547 0.747,548 0.427,549 0.348,550 0.333,551 13195,552 37080,553 2.18,554 39.2,556 15,558 2,559 3,564 1.743,565 2.09,566 3.404,567 0.908,569 1,573 85.096,574 1.669,575 3.85,576 4.777,577 5.202,578 5.241,579 5.241,580 2.816,581 4.518,582 4.925,583 3.561,584 1656,585 8.639,586 23428,588 1,591 289.294,592 1.215,593 4.907,594 0.171,595 0.006,596 0.059,597 0.038,598 0.031,599 0.024,600 0.016,601 0.009,602 0.008,603 0.009,604 0.371,605 0.17,606 0.88,607 0.415,608 159.48,609 -0.107,610 -0.209,611 0.026,612 -0.049,613 -0.141,614 0.012,615 -0.033,616 0.074,617 0.013,618 0.065,619 0.072,620 0.028,621 -0.156,622 -0.057,623 -0.058,624 0.037,625 -0.13,626 -0.013,627 0.103,628 -0.048,629 0.059,630 -0.062,631 0.116,632 -0.03,633 -0.051,634 0.033,635 -0.052,636 0.063,637 -0.091,638 0.057,639 0.161,640 -0.051,641 0.034,642 -0.147,643 0.168,644 -0.114,645 -0.052,646 0.057,647 -0.043,648 0.015,649 -0.093,650 -0.027,651 -0.029,652 -0.112,653 -0.083,654 -0.13,655 -0.033,656 -0.109,657 1.309,658 2.325,659 0.903,660 29.39,661 1.011,662 1.128,663 3.048,664 9.292,665 0.7,666 3.584,667 3.912,668 4.19,669 4.477,670 4.745,671 4.82,672 4.977,673 5.165,674 5.303,675 5.416,676 6.618,677 0.674,678 433.94,679 3.584,680 5.13,681 5.984,682 6.864,683 7.731,684 8.616,685 9.49,686 10.377,687 11.254,688 12.143,689 13.7,693 1,695 1,697 1,699 4,703 2,704 9,705 4,709 7,711 23,722 1,724 1,726 1,730 1,731 51,733 23,734 1,735 35,737 55,738 22,739 18,740 2,741 4,746 5,747 6,748 1,761 18,762 4,778 1,781 20,782 8,783 3,784 9,785 1,790 7,794 0.8,795 1,805 2,806 1,812 5,816 1,839 1,840 4,845 1,848 31,849 1,854 4,855 1,856 1,859 1,869 1,870 2,874 1,877 14.833,878 9.143,879 6.694,880 2.948,881 4.196,882 1.524,883 1.036,884 5.555,885 12.21,886 3.861,887 4.494,888 5.101,889 5.721,890 6.323,891 6.615,892 7.035,893 7.503,894 7.916,895 8.217,896 1,897 50,898 11.393,900 4.875,901 7.665,902 21.778,904 17.935,905 2.165,906 67.111,909 1,910 200.109,911 121.296,912 121.174,913 39.149,914 11,917 121.296,918 250.257,919 121.174,921 13.396,922 99.231,923 101.684,924 56.147,925 6.555,926 176.567,927 39.149,928 200.109,929 242.471,930 11,931 39.149,933 200.109,935 11,937 56.302,938 119.027,939 106.291,941 200.109,942 132.174,943 160.445,946 200.109,947 36.868,948 87.553,949 18.011,950 150.188,951 200.109,952 132.174,953 160.445,955 0.581,956 0.337,957 0.188,958 0.106,959 25,960 10,961 0.073,962 4,963 1,964 1.071,965 4.257,966 292.399,967 0.071,968 28,969 149.58,974 19.946,975 8.634,976 4.395,977 1.978,978 132.174,979 16.886,980 18.177,984 4.256,986 50.908,987 492.728,988 46.5,999 51.549,1000 57.548,1001 0.294,1002 0.679,1003 0.842,1004 0.917,1005 0.924,1006 0.924,1007 5.092,1008 1.674,1009 5.958,1010 4.803,1011 4.595,1012 5.182,1013 1.324,1014 6.753,1015 4.47,1016 6.298,1017 1.618,1018 7.501,1019 4.358,1020 4.111,1021 4.956,1022 0.325,1023 7.573,1024 3.913,1025 7.603,1026 1.397,1027 9.139,1028 4.235,1029 6.172,1030 7.41,1031 0.958,1032 10.679,1033 5.942,1034 8.941,1035 1.212,1036 10.836,1037 3.133,1038 6.494,1039 7.997,1040 0.268,1041 12.32,1042 6.198,1043 10.31,1044 1.045,1045 12.569,1046 2.997,1047 8.013,1048 9.921,1049 0.736,1050 14.919,1051 7.685,1052 11.701,1053 1,1054 14.328,1055 2.591,1056 8.728,1057 10.916,1058 0.188,1059 16.913,1060 8.34,1061 13.11,1062 0.702,1063 16.105,1064 2.136,1065 10.009,1066 12.596,1067 0.57,1068 19.321,1069 9.585,1070 3.091,1071 0.048,1072 17.897,1073 1.626,1074 10.92,1075 13.806,1076 0.125,1077 21.473,1078 10.44,1079 2.928,1080 10.196,1081 19.699,1082 0.135,1083 12.094,1084 15.365,1085 0.439,1086 23.806,1087 11.575,1088 2.814,1089 9.246,1090 21.509,1091 4.338,1092 13.102,1093 16.689,1094 0.082,1095 26.032,1096 12.53,1097 2.49,1098 9.068,1099 23.327,1100 4.133,1101 14.23,1102 18.19,1103 0.334,1104 28.337,1105 13.617,1106 2.283,1107 7.507,1108 25.149,1109 3.692,1110 15.285,1111 19.573,1112 0.054,1113 30.598,1114 14.622,1115 2.033,1116 6.566,1117 26.977,1118 3.097,1119 16.396,1120 21.045,1121 0.252,1122 32.895,1123 15.689,1124 1.733,1125 5.855,1126 28.808,1127 2.958,1128 17.475,1129 22.46,1130 0.035,1131 35.174,1132 16.719,1133 12171,1134 20571,1135 24.156,1136 35.682,1137 52.365,1138 52.972,1139 53.016,1140 52.334,1141 52.136,1142 69.248,1143 4.12,1144 148.904,1145 48.679,1146 5.449,1147 5.268,1148 6.304,1149 5.139,1150 5.091,1151 7.338,1152 1.72,1153 17.054,1154 4.918,1155 10.434,1156 1.496,1157 1.513,1158 1.515,1159 1.495,1160 1.49,1161 1.979,1162 0.118,1163 4.254,1164 1.391,1165 4.079,1166 4.113,1167 4.07,1168 3.998,1169 5.205,1170 4.003,1171 3.968,1172 4.006,1173 4.002,1174 3.862,1175 5.03,1176 3.873,1177 3.795,1178 3.847,1179 3.793,1180 3.608,1181 4.938,1182 3.631,1183 3.644,1184 3.698,1185 3.56,1186 3.463,1187 4.751,1188 3.476,1189 3.443,1190 3.493,1191 3.367,1192 3.326,1193 4.598,1194 3.329,1195 3.111,1196 3.206,1197 3.303,1198 2.941,1199 4.407,1200 2.91,1201 3.059,1202 3.146,1203 2.935,1204 2.86,1205 4.331,1206 2.868,1207 3,1208 3.066,1209 2.898,1210 2.841,1211 4.088,1212 2.852,1213 0.127,1214 0.093,1215 0.186,1216 0.115,1217 0.088,1218 4.449,1219 0.124,1220 3.268,1221 0.025,1222 6.502,1223 0.291,1224 4.035,1225 0.083,1226 3.091,1227 4.338,1228 0.86,1229 10.196,1230 2.918,1231 2.033,1232 2.007,1233 2.111,1234 2.128,1235 1.21,1236 2.123,1237 1.9,1238 1.87,1239 1.964,1240 2.048,1241 1.198,1242 2.028,1243 1.721,1244 1.668,1245 1.888,1246 1.933,1247 1.023,1248 1.925,1249 1.582,1250 1.533,1251 1.707,1252 1.784,1253 0.825,1254 1.767,1255 1.421,1256 1.378,1257 1.565,1258 1.573,1259 0.738,1260 1.577,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.602,1266 1.429,1267 0.987,1268 0.927,1269 1.214,1270 1.276,1271 0.265,1272 1.27,1273 0.974,1274 0.906,1275 1.209,1276 1.178,1277 0.243,1278 1.181,1279 4.263,1281 5.587,1283 7.114,1285 8.73,1287 10.391,1290 6.436,1293 5.76,1295 2.701,1296 3.357,1297 5.469,1300 2.093,1305 34.38,1306 85.096,1307 196.358,1308 243.642,1309 265.294,1310 267.294,1311 267.294,1312 40.668,1313 8.014,1314 102.08,1315 102.08,1316 30,1317 12.675,1318 4.585,1319 3.644,1320 43.329,1321 121,1322 125,1323 0.17,1324 212.523,1325 355.72,1326 510.316,1327 33750,1328 2,1329 21.209,1330 0.684,1331 0.561,1332 21.709,1333 17.38,1334 15.153,1335 0.433,1336 0.294,1337 9.779,1338 14.26,1339 9.588,1340 7.871,1341 15.442,1342 10.284,1343 13.77,1344 0.281,1345 0.155,1346 14.141,1347 7.576,1348 11.612,1349 0.179,1350 0.082,1351 11.944,1352 5.334,1353 10.112,1354 0.116,1355 0.043,1356 10.532,1357 3.72,1358 8.377,1359 0.073,1360 0.022,1361 8.562,1362 2.465,1363 0.263,1364 98.09,1365 0.203,1366 28.848,1367 0.479,1368 168,1369 487.81,1370 199.72,1371 506.23,1372 696.07,1373 476,1374 198,1375 501.978,1376 226.328,1377 518.826,1378 761.94,1379 489,1380 8.62}
{0 CHEMBL2017966,1 1.576,2 10.969,3 3.165,4 10.02,5 122.251,6 8.164,7 0.639,8 4.083,9 4.204,10 3.735,11 3.624,12 5.276,13 3.634,14 4.586,15 4.748,16 4.084,17 4.003,18 5.724,19 3.995,20 4.817,21 5.016,22 4.141,23 4.143,24 5.902,25 4.108,26 4.829,27 5.055,28 4.084,29 4.095,30 5.94,31 4.045,32 4.775,33 5,34 4.082,35 4.039,36 5.971,37 4.006,38 4.704,39 4.9,40 4.077,41 4.035,42 5.839,43 4.007,44 4.795,45 5.005,46 4.098,47 4.109,48 5.901,49 4.064,50 4.872,51 5.083,52 4.084,53 4.174,54 5.936,55 4.102,56 0.066,57 0.859,58 8.818,59 3.94,60 13.637,61 4.836,62 0.325,63 1.346,64 17.222,65 6.716,66 25.397,67 8.314,68 0.41,69 1.628,70 23.774,71 8.285,72 35.946,73 10.902,74 0.354,75 1.641,76 25.052,77 8.556,78 45.494,79 11.902,80 0.486,81 1.563,82 23.904,83 7.631,84 61.948,85 10.602,86 0.309,87 1.503,88 20.242,89 7.259,90 35.813,91 9.656,92 0.435,93 1.588,94 23.445,95 8.367,96 41.512,97 11.227,98 0.32,99 1.641,100 25.829,101 10.248,102 43.827,103 13.766,104 6,105 50,106 0.258,107 0.64,108 0.788,109 0.856,110 0.862,111 0.862,112 3.503,113 0.849,114 -3.47,115 -3.45,116 -3.29,119 44.2,125 4,142 7,143 3,144 1,145 2,146 2,147 2,150 1,158 1,163 1,164 1,165 1,172 7,174 3,175 8,177 1,178 2,180 3,183 7,185 1,186 1,187 7,190 1,192 2,195 5,197 1,198 1,199 7,202 2,204 3,207 3,209 1,211 5,212 5,214 1,215 1,217 3,220 1,223 2,224 5,226 1,227 2,229 3,232 2,234 1,236 4,237 7,240 2,245 4,250 6,252 2,253 2,254 1,257 1,258 4,262 2,263 9,271 4,275 1806,276 22.195,277 22.195,278 22.195,279 22.195,280 22.195,281 19.452,282 26.428,283 13.209,284 22.79,285 17.785,286 17.785,287 17.785,288 17.785,289 17.785,290 13.527,291 41.18,292 6.268,293 18.756,294 4.125,295 1.787,296 0.878,297 0.462,298 0.423,299 0.423,300 4.216,304 1,305 1,306 776,307 2.646,311 470.384,315 145.396,318 1.477,319 28.753,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 69,331 351,332 4.476,333 4.071,334 6.543,335 4.069,336 3.103,337 4.338,338 2.035,339 10.372,340 3.014,341 4.406,342 3.196,343 6.188,344 3.909,345 2.929,346 4.166,347 0.86,348 9.254,349 2.869,350 4.155,351 2.969,352 6.157,353 3.76,354 2.828,355 3.725,356 0.8,357 9.132,358 2.624,359 3.741,360 2.944,361 5.557,362 3.435,363 2.493,364 3.097,365 0.4,366 7.538,367 2.341,368 3.632,369 2.665,370 5.301,371 3.238,372 2.285,373 2.959,375 6.689,376 2.178,377 3.525,378 2.399,379 4.979,380 2.995,381 2.045,382 2.71,384 5.856,385 1.939,386 3.355,387 2.274,388 4.762,389 2.748,390 1.793,391 2.484,393 5.088,394 1.708,395 3.118,396 2.072,397 4.418,398 2.62,399 1.719,400 2.427,402 4.373,403 1.564,404 2.944,405 1.836,406 4.377,407 2.586,408 1.618,409 2.081,411 4.276,412 1.542,413 2.874,414 1.618,415 4.013,416 2.392,417 1.398,418 1.963,420 3.225,421 1.389,422 2.793,423 1.451,424 3.616,425 2.171,426 1.231,427 1.755,428 2.998,429 1.155,430 2.617,431 1.389,432 3.491,433 1.952,434 1.046,435 1.177,436 2.591,437 0.946,438 2.203,439 1.256,440 3.247,441 1.928,442 1,443 1.036,445 2.136,446 0.917,447 2.184,448 1.185,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 2,457 0.718,458 2.969,459 1.411,460 0.477,461 0.923,463 0.776,464 0.444,465 15.033,466 0.47,467 0.653,468 0.02,469 48.75,470 1.523,471 26.5,472 0.828,473 22.25,474 0.695,475 22.576,476 0.705,477 32.367,478 0.622,479 37.604,480 1.175,481 9.526,482 0.298,483 6.165,484 0.193,485 0.053,487 0.326,493 0.968,494 1.33,495 0.712,496 1.017,497 0.731,498 0.853,499 1.148,500 0.989,501 0.87,502 0.9,503 0.598,504 0.864,505 1.169,506 1.083,507 1.01,508 0.935,509 0.806,510 0.945,511 0.863,512 1.129,513 0.951,514 1.019,515 0.907,516 0.992,517 0.897,518 0.967,519 0.922,520 0.854,521 0.858,522 0.871,523 0.943,524 1.168,525 0.978,526 1.071,527 0.976,528 1.029,529 0.879,530 0.903,531 0.985,532 0.953,533 0.738,534 0.974,535 0.814,536 1.069,537 0.977,538 1.158,539 0.877,540 1.115,541 6,542 0.19,543 2.889,544 1.875,545 1.533,546 1.132,547 0.767,548 0.455,549 0.348,550 0.343,551 14128,552 39009,553 2.174,554 38.5,556 15,558 2,559 3,564 1.752,565 2.087,566 3.414,567 0.884,569 1,573 81.942,574 1.576,575 3.913,576 4.823,577 5.239,578 5.277,579 5.277,580 2.816,581 4.625,582 4.971,583 3.573,584 1772.42,585 8.735,586 25638,588 1,591 296.423,592 1.198,593 4.954,594 0.167,595 0.006,596 0.058,597 0.036,598 0.032,599 0.024,600 0.016,601 0.009,602 0.007,603 0.008,604 0.362,605 0.33,606 0.88,607 0.563,608 166.137,609 -0.109,610 -0.198,611 0.047,612 -0.054,613 -0.048,614 0.012,615 -0.023,616 0.085,617 -0.002,618 0.056,619 0.037,620 0.026,621 -0.143,622 -0.05,623 -0.08,624 0.023,625 -0.079,626 -0.013,627 -0.016,628 -0.113,629 0.012,630 -0.062,631 -0.009,632 -0.027,633 0.089,634 0.076,635 0.049,636 0.075,637 0.153,638 0.062,639 -0.022,640 -0.098,641 -0.075,642 -0.135,643 -0.035,644 -0.118,645 0.055,646 0.131,647 -0.049,648 0.005,649 0.049,650 -0.029,651 0.038,652 -0.115,653 -0.026,654 -0.135,655 -0.028,656 -0.104,657 1.381,658 3.6,659 0.875,660 30.813,661 1.009,662 1.129,663 2.238,664 5.009,665 0.694,666 3.611,667 3.932,668 4.22,669 4.511,670 4.787,671 4.852,672 5.024,673 5.198,674 5.352,675 5.455,676 6.701,677 0.674,678 424.51,679 3.611,680 5.153,681 6.009,682 6.889,683 7.759,684 8.644,685 9.521,686 10.408,687 11.288,688 12.177,689 15.4,693 1,695 1,697 1,698 1,699 4,703 2,704 9,705 4,709 7,711 23,713 1,722 1,724 1,726 1,731 52,733 24,734 1,735 36,737 56,738 23,739 18,740 2,741 4,746 5,747 6,760 1,761 18,762 4,778 1,781 20,782 9,783 3,784 9,790 8,794 0.8,795 1,805 2,806 1,812 5,816 1,839 1,840 4,848 32,849 1,854 4,855 1,856 1,859 1,861 1,866 1,868 1,870 1.9,874 1,877 15.333,878 9.45,879 7.028,880 3.025,881 4.445,882 1.55,883 1.029,884 5.514,885 12.527,886 3.922,887 4.527,888 5.155,889 5.778,890 6.393,891 6.681,892 7.129,893 7.556,894 7.998,895 8.279,896 1,897 52,898 11.75,900 5.024,901 7.734,902 22.326,904 18.301,905 2.234,906 71.5,909 1,910 200.109,911 137.583,912 152.234,914 11,917 137.583,918 211.109,919 152.234,921 13.396,922 99.231,923 118.286,924 86.891,925 6.555,926 176.567,928 200.109,929 289.817,930 11,933 200.109,935 11,937 87.361,938 135.314,939 67.142,941 200.109,942 163.234,943 137.583,946 200.109,947 36.553,948 87.553,949 34.612,950 142.099,951 200.109,952 163.234,953 137.583,955 0.576,956 0.339,957 0.192,958 0.11,959 25,960 10,961 0.071,962 4,963 1,964 1.071,965 4.313,966 305.691,967 0.071,968 28,969 156,974 20.142,975 8.76,976 4.338,977 1.941,978 163.234,979 16.618,980 18.116,984 3.824,986 50.908,987 500.926,988 49.5,999 52.443,1000 58.687,1001 0.276,1002 0.686,1003 0.846,1004 0.919,1005 0.926,1006 0.926,1007 5.158,1008 1.719,1009 5.979,1010 5.088,1011 4.615,1012 5.215,1013 2.488,1014 6.777,1015 4.517,1016 6.368,1017 1.618,1018 7.521,1019 4.373,1020 4.111,1021 4.956,1022 0.325,1023 7.609,1024 3.983,1025 7.672,1026 1.398,1027 9.161,1028 4.276,1029 6.192,1030 7.442,1031 3.608,1032 10.717,1033 6.012,1034 9.009,1035 1.231,1036 10.859,1037 3.225,1038 6.509,1039 8.02,1040 0.268,1041 12.377,1042 6.306,1043 10.377,1044 1.046,1045 12.595,1046 2.998,1047 8.036,1048 9.953,1049 4.97,1050 14.977,1051 7.786,1052 11.767,1053 1,1054 14.356,1055 2.591,1056 8.751,1057 10.948,1058 0.188,1059 16.992,1060 8.482,1061 13.175,1062 0.702,1063 16.137,1064 2.136,1065 10.035,1066 12.629,1067 6.379,1068 19.405,1069 9.726,1070 3.103,1071 0.477,1072 17.931,1073 1.626,1074 10.949,1075 13.843,1076 0.125,1077 21.578,1078 10.62,1079 2.929,1080 10.372,1081 19.737,1082 0.776,1083 12.125,1084 15.403,1085 7.797,1086 23.921,1087 11.763,1088 2.828,1089 9.254,1090 21.551,1091 4.338,1092 13.137,1093 16.73,1094 0.082,1095 26.166,1096 12.753,1097 2.493,1098 9.132,1099 23.372,1100 4.166,1101 14.268,1102 18.231,1103 9.217,1104 28.485,1105 13.854,1106 2.285,1107 7.538,1108 25.199,1109 3.725,1110 15.327,1111 19.617,1112 0.054,1113 30.764,1114 14.891,1115 2.045,1116 6.689,1117 27.031,1118 3.097,1119 16.44,1120 21.09,1121 10.638,1122 33.077,1123 15.977,1124 1.793,1125 5.856,1126 28.867,1127 2.959,1128 17.523,1129 22.507,1130 0.035,1131 35.375,1132 17.036,1133 13093,1134 21913,1135 24.849,1136 36.068,1137 54.799,1138 56.694,1139 54.627,1140 53.423,1141 53.429,1142 71.806,1143 8.189,1144 152.127,1145 50.692,1146 5.476,1147 6.071,1148 6.345,1149 5.173,1150 5.103,1151 7.338,1152 4.069,1153 17.286,1154 5.014,1155 10.779,1156 1.522,1157 1.575,1158 1.517,1159 1.484,1160 1.484,1161 1.995,1162 0.227,1163 4.226,1164 1.408,1165 4.08,1166 4.115,1167 4.042,1168 3.999,1169 6.82,1170 4.004,1171 3.977,1172 4.014,1173 3.947,1174 3.873,1175 5.171,1176 3.888,1177 3.805,1178 3.859,1179 3.747,1180 3.616,1181 5.03,1182 3.642,1183 3.648,1184 3.701,1185 3.555,1186 3.465,1187 4.933,1188 3.479,1189 3.444,1190 3.493,1191 3.364,1192 3.327,1193 4.604,1194 3.33,1195 3.187,1196 3.263,1197 3.156,1198 2.947,1199 4.5,1200 2.992,1201 3.111,1202 3.206,1203 2.934,1204 2.941,1205 4.398,1206 2.91,1207 3.015,1208 3.089,1209 2.898,1210 2.86,1211 4.088,1212 2.862,1213 0.124,1214 0.113,1215 0.182,1216 0.113,1217 0.086,1218 4.476,1219 0.12,1220 4.071,1221 0.057,1222 6.543,1223 0.288,1224 4.069,1225 0.084,1226 3.103,1227 4.338,1228 2.035,1229 10.372,1230 3.014,1231 2.033,1232 2.007,1233 2.112,1234 2.129,1235 1.21,1236 2.124,1237 1.918,1238 1.888,1239 1.981,1240 2.056,1241 1.198,1242 2.037,1243 1.731,1244 1.678,1245 1.904,1246 1.947,1247 1.036,1248 1.935,1249 1.587,1250 1.537,1251 1.716,1252 1.789,1253 0.825,1254 1.772,1255 1.422,1256 1.379,1257 1.567,1258 1.573,1259 0.743,1260 1.577,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.604,1266 1.429,1267 1.067,1268 0.999,1269 1.239,1270 1.355,1271 0.265,1272 1.325,1273 0.984,1274 0.926,1275 1.209,1276 1.187,1277 0.243,1278 1.183,1279 4.29,1281 5.609,1283 7.135,1285 8.752,1287 10.414,1293 5.769,1295 2.59,1296 3.335,1297 5.464,1300 2.063,1303 9.6,1304 2.179,1305 35.047,1306 81.942,1307 203.487,1308 250.771,1309 272.423,1310 274.423,1311 274.423,1312 44.796,1313 8.082,1314 125.87,1315 125.87,1316 30,1317 12.709,1318 4.644,1319 3.858,1320 45.358,1321 127,1322 132,1323 0.17,1324 214.722,1325 363.53,1326 515.681,1327 36651,1329 21.916,1330 0.685,1331 0.537,1332 21.916,1333 17.193,1334 15.691,1335 0.436,1336 0.283,1337 10.026,1338 15.047,1339 9.861,1340 8.119,1341 15.691,1342 10.19,1343 13.961,1344 0.279,1345 0.147,1346 13.961,1347 7.346,1348 11.942,1349 0.178,1350 0.078,1351 11.942,1352 5.193,1353 10.335,1354 0.115,1355 0.04,1356 10.335,1357 3.597,1358 8.863,1359 0.074,1360 0.021,1361 8.863,1362 2.456,1363 0.263,1364 98.496,1365 0.201,1366 29.567,1367 0.481,1368 172,1369 505.251,1370 188.894,1371 497.978,1372 691.33,1373 468,1374 203,1375 518.524,1376 220.284,1377 528.027,1378 770.76,1379 497,1380 8.387}
{0 CHEMBL2017967,1 1.776,2 11.088,3 4.229,4 17.883,5 122.487,6 8.657,7 0.605,8 4.136,9 4.253,10 3.817,11 3.632,12 5.34,13 3.665,14 4.679,15 4.836,16 4.255,17 4.014,18 6.261,19 4.039,20 4.867,21 5.06,22 4.249,23 4.153,24 6.049,25 4.146,26 4.925,27 5.141,28 4.254,29 4.113,30 6.169,31 4.11,32 4.912,33 5.128,34 4.327,35 4.058,36 6.426,37 4.079,38 4.835,39 5.031,40 4.205,41 4.053,42 6.105,43 4.065,44 4.884,45 5.089,46 4.287,47 4.119,48 6.201,49 4.109,50 4.964,51 5.167,52 4.255,53 4.191,54 6.146,55 4.163,56 0.21,57 1.086,58 8.158,59 4.402,60 27.852,61 4.898,62 1.051,63 2.015,64 18.468,65 7.533,66 144.121,67 8.396,68 0.705,69 1.927,70 23.48,71 8.871,72 51.327,73 10.978,74 0.795,75 2.104,76 27.03,77 9.667,78 83.896,79 11.939,80 1.24,81 2.16,82 27.595,83 8.255,84 137.398,85 10.646,86 0.866,87 1.972,88 23.897,89 8.793,90 98.243,91 9.708,92 1.057,93 1.995,94 24.886,95 8.505,96 69.184,97 11.298,98 0.786,99 2.139,100 27.71,101 11.486,102 90.638,103 13.804,104 18,105 55,106 0.29,107 0.645,108 0.788,109 0.853,110 0.86,111 0.86,112 3.561,113 0.832,114 -4.59,115 -4.52,116 -4.25,119 42.6,125 4,132 1,142 7,143 3,144 1,145 2,146 2,147 2,150 1,163 1,164 1,165 1,172 7,174 3,175 7,177 1,178 2,180 3,183 7,185 1,186 1,187 5,190 1,192 2,195 5,197 1,198 1,199 7,202 2,204 3,207 3,209 1,211 3,212 4,217 3,220 1,223 2,224 5,226 1,227 2,229 3,232 2,234 1,236 2,237 7,240 1,245 4,250 6,252 2,253 2,254 1,257 1,258 4,262 2,263 8,271 4,275 2048,276 22.797,277 22.797,278 22.797,279 22.797,280 22.797,281 20.184,282 27.559,283 13.385,284 23.633,285 18.842,286 18.842,287 18.842,288 18.842,289 18.842,290 14.826,291 43.433,292 6.455,293 20.275,294 3.979,295 1.809,296 0.933,297 0.532,298 0.495,299 0.495,300 4.268,304 1,305 1,306 826,307 3.464,311 502.906,315 155.547,318 1.505,319 53.495,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 77,331 377,332 4.618,333 4.471,334 7.289,335 4.31,336 3.412,337 4.338,338 3.825,339 12.464,340 3.124,341 4.411,342 3.19,343 6.302,344 3.928,345 2.99,346 4.215,347 0.86,348 9.612,349 2.871,350 4.247,351 2.967,352 6.184,353 3.86,354 2.911,355 3.776,356 0.8,357 9.232,358 2.685,359 3.821,360 2.883,361 6.038,362 3.54,363 2.632,364 3.099,365 0.4,366 8.622,367 2.374,368 3.737,369 2.646,370 5.516,371 3.392,372 2.459,373 3.041,375 7.438,376 2.269,377 3.626,378 2.395,379 5.153,380 3.215,381 2.273,382 2.951,384 6.358,385 2.118,386 3.372,387 2.272,388 4.979,389 2.959,390 2.008,391 2.658,393 5.855,394 1.903,395 3.118,396 2.046,397 4.59,398 2.628,399 1.725,400 2.427,402 4.535,403 1.565,404 2.942,405 1.634,406 4.411,407 2.586,408 1.618,409 2.092,411 4.339,412 1.549,413 2.874,414 1.618,415 4.358,416 2.398,417 1.419,418 1.998,420 4.071,421 1.391,422 2.762,423 1.416,424 3.941,425 2.312,426 1.374,427 1.84,428 3.006,429 1.268,430 2.573,431 1.379,432 3.616,433 2.062,434 1.132,435 1.604,436 2.962,437 1.041,438 2.203,439 1.256,440 3.491,441 1.952,442 1.045,443 1.176,445 2.59,446 0.946,447 2.184,448 1.163,449 3.247,450 1.928,451 1,452 1.036,454 2.136,455 0.917,456 2,457 0.718,458 3.19,459 1.661,460 0.702,461 1,463 1.626,464 0.672,465 15.49,466 0.456,467 0.98,468 0.029,469 47.25,470 1.39,471 23.5,472 0.691,473 23.75,474 0.699,475 27.196,476 0.8,477 36.71,478 0.68,479 41.044,480 1.207,481 9.49,482 0.279,483 6.874,484 0.202,485 0.081,486 0.032,487 0.316,490 3,493 0.689,494 1.113,495 0.638,496 1.056,497 0.639,498 0.881,499 0.635,500 0.77,501 0.747,502 0.884,503 0.386,504 0.868,505 0.756,506 0.948,507 0.892,508 0.976,509 0.554,510 0.974,511 0.9,512 1.136,513 0.911,514 1.072,515 0.903,516 1.008,517 0.838,518 0.867,519 0.871,520 0.841,521 0.845,522 0.856,523 1.208,524 1.172,525 1.094,526 1.047,527 1.23,528 1.026,529 0.536,530 0.644,531 0.85,532 0.901,533 0.591,534 0.968,535 0.853,536 1.078,537 0.93,538 1.191,539 0.863,540 1.13,541 8,542 0.272,543 3.556,544 2.375,545 2.111,546 1.368,547 0.973,548 0.667,549 0.546,550 0.452,551 16006,552 52023,553 2.12,554 37,556 15,558 2,559 3,564 1.768,565 1.99,566 3.404,567 0.899,569 1,573 95.877,574 1.776,575 3.946,576 4.821,577 5.222,578 5.259,579 5.259,580 2.795,581 4.452,582 5.06,583 3.589,584 2013.38,585 8.917,586 30202.7,591 310.764,592 1.501,593 5.017,594 0.211,595 0.007,596 0.065,597 0.042,598 0.039,599 0.024,600 0.019,601 0.012,602 0.01,603 0.009,604 0.438,605 0.17,606 0.75,607 0.662,608 179.346,609 -0.084,610 -0.151,611 0.028,612 -0.056,613 -0.115,614 0.012,615 0.285,616 0.249,617 0.079,618 0.09,619 0.43,620 0.025,621 -0.081,622 -0.117,623 -0.041,624 -0.025,625 -0.014,626 -0.019,627 -0.072,628 -0.194,629 0.026,630 -0.111,631 -0.062,632 -0.033,633 0.19,634 0.176,635 0.103,636 0.082,637 0.202,638 0.057,639 -0.189,640 -0.078,641 -0.173,642 -0.073,643 -0.174,644 -0.102,645 0.251,646 0.266,647 0.043,648 0.033,649 0.113,650 -0.03,651 -0.031,652 -0.162,653 -0.003,654 -0.168,655 -0.054,656 -0.107,657 5.883,658 5.787,659 0.824,660 32.837,661 1.03,662 1.149,663 3.364,664 11.314,665 0.674,666 3.664,667 4.025,668 4.277,669 4.575,670 4.868,671 4.913,672 5.112,673 5.263,674 5.442,675 5.529,676 6.82,677 0.671,678 467.5,679 3.664,680 5.231,681 6.084,682 6.982,683 7.855,684 8.754,685 9.636,686 10.536,687 11.423,688 12.322,689 13,693 1,695 1,697 1,699 4,703 2,704 9,705 4,709 7,711 23,722 1,724 1,726 1,731 54,733 23,734 1,735 38,737 58,738 23,739 18,740 2,741 4,746 5,747 6,752 1,757 1,761 18,762 5,778 1,779 3,781 20,782 11,783 3,784 11,790 7,794 0.8,795 1,805 2,806 1,812 5,816 1,839 1,840 4,846 3,848 34,849 1,854 4,855 1,856 1,859 1,860 1,869 3,870 1.9,874 1,877 17.083,878 9.679,879 7.194,880 3.082,881 4.32,882 1.526,883 1.032,884 5.946,885 12.527,886 3.922,887 4.559,888 5.155,889 5.778,890 6.393,891 6.681,892 7.129,893 7.556,894 7.998,895 8.279,896 1,897 56,898 13.142,900 6.25,901 8.096,902 23.24,904 19.194,905 2.596,906 88.25,910 200.109,911 128.741,912 121.174,914 11,915 44.88,917 128.741,918 211.109,919 166.055,921 13.396,922 99.231,923 101.684,924 100.712,925 6.555,926 176.567,927 7.76,928 200.109,929 249.915,930 55.88,933 200.109,934 44.88,935 11,937 64.061,938 118.712,939 67.142,941 244.989,942 132.174,943 128.741,946 207.868,947 36.553,948 87.553,949 18.011,950 155.92,951 200.109,952 177.055,953 128.741,955 0.591,956 0.333,957 0.184,958 0.111,959 28,960 12,961 0.069,962 4,963 1,964 1.071,965 4.363,966 336.569,967 0.071,968 28,969 164.219,974 22.331,975 9.054,976 4.915,977 1.741,978 177.055,979 14.513,980 17.301,984 0.021,986 50.908,987 505.904,988 49.5,999 55.647,1000 62.038,1001 0.309,1002 0.686,1003 0.838,1004 0.907,1005 0.914,1006 0.914,1007 5.18,1008 1.725,1009 6.103,1010 5.855,1011 4.71,1012 5.247,1013 3.161,1014 6.95,1015 4.573,1016 6.408,1017 1.618,1018 7.685,1019 4.535,1020 4.443,1021 5.112,1022 3.911,1023 8.05,1024 4.167,1025 7.733,1026 1.419,1027 9.376,1028 4.339,1029 6.375,1030 7.48,1031 5.427,1032 11.104,1033 6.1,1034 9.092,1035 1.374,1036 11.134,1037 4.071,1038 6.899,1039 8.123,1040 6.69,1041 13.031,1042 6.483,1043 10.483,1044 1.132,1045 12.937,1046 3.006,1047 8.352,1048 10.002,1049 8.058,1050 15.676,1051 7.92,1052 11.895,1053 1.045,1054 14.772,1055 2.962,1056 9.235,1057 11.03,1058 9.389,1059 17.94,1060 8.678,1061 13.325,1062 1,1063 16.632,1064 2.59,1065 10.508,1066 12.687,1067 10.734,1068 20.472,1069 9.91,1070 3.412,1071 0.702,1072 18.511,1073 2.136,1074 11.559,1075 13.918,1076 12.074,1077 22.879,1078 10.852,1079 2.99,1080 12.464,1081 20.406,1082 1.626,1083 12.769,1084 15.466,1085 13.416,1086 25.386,1087 12.001,1088 2.911,1089 9.612,1090 22.315,1091 4.338,1092 13.897,1093 16.803,1094 14.758,1095 27.854,1096 13.031,1097 2.632,1098 9.232,1099 24.234,1100 4.215,1101 15.091,1102 18.3,1103 16.1,1104 30.361,1105 14.15,1106 2.459,1107 8.622,1108 26.164,1109 3.776,1110 16.258,1111 19.692,1112 17.441,1113 32.857,1114 15.223,1115 2.273,1116 7.438,1117 28.101,1118 3.099,1119 17.452,1120 21.164,1121 18.783,1122 35.368,1123 16.335,1124 2.008,1125 6.358,1126 30.045,1127 3.041,1128 18.638,1129 22.585,1130 20.124,1131 37.877,1132 17.43,1133 14961,1134 27219,1135 25.542,1136 36.398,1137 58.031,1138 57.799,1139 58.035,1140 57.718,1141 57.494,1142 74.627,1143 11.771,1144 169.962,1145 53.476,1146 5.618,1147 6.471,1148 7.091,1149 5.413,1150 5.412,1151 7.338,1152 5.335,1153 20.218,1154 5.124,1155 15.425,1156 1.527,1157 1.521,1158 1.527,1159 1.519,1160 1.513,1161 1.964,1162 0.31,1163 4.473,1164 1.407,1165 4.082,1166 4.117,1167 4.045,1168 3.999,1169 8.513,1170 4.004,1171 3.985,1172 4.021,1173 3.959,1174 3.873,1175 7.999,1176 3.89,1177 3.813,1178 3.866,1179 3.762,1180 3.615,1181 7.999,1182 3.643,1183 3.651,1184 3.704,1185 3.558,1186 3.465,1187 5.172,1188 3.479,1189 3.444,1190 3.494,1191 3.367,1192 3.327,1193 5.03,1194 3.331,1195 3.311,1196 3.374,1197 3.327,1198 2.941,1199 4.933,1200 3.007,1201 3.111,1202 3.206,1203 2.944,1204 2.926,1205 4.604,1206 2.91,1207 3.028,1208 3.108,1209 2.902,1210 2.86,1211 4.5,1212 2.862,1213 0.122,1214 0.118,1215 0.192,1216 0.113,1217 0.09,1218 4.618,1219 0.114,1220 4.471,1221 0.101,1222 7.289,1223 0.328,1224 4.31,1225 0.082,1226 3.412,1227 4.338,1228 3.825,1229 12.464,1230 3.124,1231 2.033,1232 2.007,1233 2.112,1234 2.129,1235 1.21,1236 2.124,1237 1.918,1238 1.888,1239 1.98,1240 2.061,1241 1.198,1242 2.04,1243 1.731,1244 1.678,1245 1.903,1246 1.955,1247 1.068,1248 1.939,1249 1.587,1250 1.537,1251 1.715,1252 1.793,1253 0.825,1254 1.774,1255 1.422,1256 1.379,1257 1.567,1258 1.574,1259 0.753,1260 1.577,1261 1.153,1262 1.064,1263 1.513,1264 1.462,1265 0.609,1266 1.429,1267 1.049,1268 0.987,1269 1.233,1270 1.376,1271 0.265,1272 1.367,1273 0.984,1274 0.926,1275 1.209,1276 1.229,1277 0.243,1278 1.2,1279 4.344,1281 5.694,1283 7.238,1285 8.869,1287 10.545,1291 41.362,1293 5.541,1295 1.99,1296 3.157,1297 5.386,1300 1.87,1301 -4.633,1305 36.229,1306 95.877,1307 213.073,1308 260.358,1309 282.009,1310 284.009,1311 284.009,1312 66.98,1313 8.207,1314 102.08,1315 102.08,1316 30,1317 12.847,1318 4.585,1319 3.644,1320 49.572,1321 139,1322 146,1323 0.172,1324 217.377,1325 376.02,1326 522.159,1327 42459,1328 5.6,1329 23.709,1330 0.697,1331 0.526,1332 21.209,1333 17.88,1334 16.364,1335 0.431,1336 0.277,1337 10.301,1338 15.468,1339 10.195,1340 8.331,1341 15.153,1342 10.534,1343 15.765,1344 0.287,1345 0.141,1346 13.77,1347 7.732,1348 12.393,1349 0.175,1350 0.076,1351 11.612,1352 5.378,1353 10.687,1354 0.111,1355 0.039,1356 10.112,1357 3.739,1358 9.453,1359 0.073,1360 0.02,1361 8.377,1362 2.573,1363 0.265,1364 104.433,1365 0.198,1366 30.942,1367 0.49,1368 186,1369 737.94,1370 219.217,1371 632.574,1372 844.69,1373 590,1374 219,1375 609.115,1376 246.094,1377 596.938,1378 896.76,1379 561,1380 7.678}
{0 CHEMBL2017968,1 1.604,2 10.903,3 2.433,4 5.919,5 119.981,6 7.991,7 0.657,8 4.093,9 4.226,10 3.722,11 3.578,12 5.26,13 3.598,14 4.594,15 4.767,16 4.083,17 3.96,18 5.753,19 3.959,20 4.807,21 5.014,22 4.117,23 4.087,24 5.873,25 4.06,26 4.819,27 5.05,28 4.047,29 4.046,30 5.92,31 3.993,32 4.794,33 5.034,34 4.012,35 3.996,36 5.851,37 3.958,38 4.721,39 4.934,40 4.055,41 4.001,42 5.807,43 3.963,44 4.8,45 5.019,46 4.051,47 4.059,48 5.835,49 4.016,50 4.885,51 5.113,52 4.052,53 4.094,54 5.934,55 4.032,56 0.098,57 0.89,58 9.659,59 3.715,60 12.742,61 4.91,62 0.407,63 1.359,64 18.376,65 6.579,66 31.242,67 8.634,68 0.452,69 1.591,70 24.437,71 7.566,72 33.598,73 10.75,74 0.457,75 1.579,76 25.416,77 8.127,78 48.983,79 11.883,80 0.522,81 1.507,82 25.696,83 7.011,84 46.714,85 10.637,86 0.44,87 1.473,88 22.183,89 7.699,90 33.118,91 10.837,92 0.44,93 1.543,94 24.594,95 7.69,96 34.783,97 11.085,98 0.42,99 1.61,100 27.622,101 9.136,102 46.864,103 13.107,104 5,105 49,106 0.264,107 0.626,108 0.781,109 0.856,110 0.862,111 0.862,112 3.472,113 0.846,114 -3.59,115 -3.56,116 -3.4,119 40.4,125 4,142 6,143 2,144 1,145 2,146 2,147 2,150 2,163 2,164 2,165 2,172 5,174 4,175 7,177 3,178 4,180 3,183 6,185 1,186 1,187 3,190 1,192 1,195 4,198 2,199 7,201 2,202 4,203 1,204 4,206 2,207 2,209 2,210 1,211 3,212 2,217 2,220 1,223 4,224 3,226 3,227 5,228 1,229 2,231 1,232 2,234 1,236 2,237 7,240 1,245 3,250 5,252 2,253 2,254 1,255 1,257 1,258 2,260 1,262 4,263 7,265 2,266 2,268 1,271 2,273 1,275 1673,276 21.325,277 21.325,278 21.325,279 21.325,280 21.325,281 18.621,282 26.266,283 12.684,284 22.003,285 17.347,286 17.347,287 17.347,288 17.347,289 17.347,290 13.279,291 42.362,292 6.111,293 18.454,294 4.096,295 1.899,296 0.952,297 0.5,298 0.462,299 0.462,300 4.186,304 1,305 1,306 751,307 2.449,311 454.123,315 140.321,318 1.473,319 27.462,322 1,323 0.83,324 1,325 0.6,327 0.83,328 0.5,329 0.68,330 67.5,331 338,332 4.449,333 3.207,334 6.502,335 4.044,336 3.091,337 4.338,338 0.86,339 10.196,340 2.955,341 4.401,342 2.992,343 6.187,344 3.906,345 2.928,346 4.133,347 0.8,348 9.246,349 2.866,350 4.119,351 2.963,352 6.146,353 3.737,354 2.814,355 3.692,356 0.4,357 9.068,358 2.588,359 3.74,360 2.669,361 5.543,362 3.428,363 2.49,364 3.097,366 7.507,367 2.332,368 3.629,369 2.399,370 5.249,371 3.215,372 2.283,373 2.958,375 6.566,376 2.126,377 3.396,378 2.274,379 4.979,380 2.975,381 2.033,382 2.686,384 5.855,385 1.909,386 3.118,387 2.069,388 4.676,389 2.648,390 1.733,391 2.427,393 4.803,394 1.587,395 3.072,396 1.803,397 4.414,398 2.587,399 1.674,400 2.273,402 4.358,403 1.562,404 2.903,405 1.618,406 4.367,407 2.586,408 1.618,409 2.074,411 4.235,412 1.518,413 2.871,414 1.444,415 3.933,416 2.391,417 1.397,418 1.946,420 3.133,421 1.387,422 2.657,423 1.388,424 3.616,425 2.138,426 1.212,427 1.726,428 2.997,429 1.12,430 2.203,431 1.256,432 3.491,433 1.952,434 1.045,435 1.176,436 2.591,437 0.946,438 2.184,439 1.18,440 3.247,441 1.927,442 1,443 1.036,445 2.136,446 0.916,447 2,448 0.718,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.368,457 0.187,458 2.968,459 0.992,460 0.048,461 0.061,463 0.135,464 0.045,465 14.433,466 0.466,467 0.691,468 0.022,469 46.25,470 1.492,471 24,472 0.774,473 22.25,474 0.718,475 22.039,476 0.711,477 32.367,478 0.622,479 35.375,480 1.141,481 9.112,482 0.294,483 6.041,484 0.195,485 0.055,487 0.339,493 1.064,494 1.429,495 0.748,496 1.044,497 1.149,498 0.866,499 1.053,500 0.964,501 0.843,502 0.913,503 0.676,504 0.87,505 1.199,506 1.165,507 1.009,508 0.963,509 0.973,510 0.955,511 0.78,512 1.059,513 0.984,514 1.069,515 0.839,516 1.056,517 1.067,518 1.013,519 1.003,520 0.847,521 1.156,522 0.884,523 0.664,524 0.954,525 0.89,526 1.047,527 0.557,528 1.015,529 1.028,530 1.048,531 1.033,532 0.997,533 0.993,534 1.001,535 0.977,536 1.147,537 1.015,538 1.149,539 1.056,540 1.102,541 6,542 0.169,543 2.889,544 1.875,545 1.413,546 1.069,547 0.747,548 0.427,549 0.348,550 0.333,551 13195,552 35668,553 2.18,554 40.4,556 14,558 2,559 5,564 1.743,565 2.09,566 3.404,567 2.445,569 1,573 83.416,574 1.604,575 3.802,576 4.748,577 5.2,578 5.239,579 5.239,580 2.816,581 4.518,582 4.925,583 3.561,584 1656,585 8.639,586 23428,588 1,591 296.423,592 1.215,593 4.907,594 0.171,595 0.006,596 0.059,597 0.038,598 0.031,599 0.024,600 0.016,601 0.009,602 0.008,603 0.009,604 0.371,605 0.17,606 0.75,607 0.415,608 159.48,609 -0.164,610 -0.224,611 0.04,612 -0.041,613 -0.222,614 0.029,615 0.073,616 0.15,617 0.041,618 0.066,619 0.172,620 0.038,621 -0.169,622 -0.11,623 -0.08,624 0.004,625 -0.111,626 -0.02,627 0.07,628 -0.027,629 -0.037,630 -0.107,631 0.101,632 -0.096,633 -0.09,634 0.014,635 -0.027,636 0.082,637 -0.166,638 0.054,639 0.219,640 0.108,641 0.032,642 -0.073,643 0.219,644 -0.064,645 -0.093,646 -0.004,647 -0.096,648 -0.031,649 -0.124,650 -0.052,651 -0.04,652 -0.165,653 -0.051,654 -0.15,655 -0.05,656 -0.113,657 1.552,658 2.091,659 0.903,660 29.39,661 1.01,662 1.138,663 2.363,664 5.583,665 0.675,666 3.584,667 3.912,668 4.19,669 4.477,670 4.745,671 4.82,672 4.977,673 5.165,674 5.303,675 5.416,676 6.618,677 0.655,678 415.51,679 3.584,680 5.13,681 5.984,682 6.864,683 7.731,684 8.616,685 9.49,686 10.377,687 11.254,688 12.143,689 17.3,693 2,695 1,697 1,699 5,703 2,704 8,705 5,709 7,711 23,722 2,724 1,726 1,731 52,733 23,734 1,735 35,737 56,738 21,739 17,740 2,741 4,746 5,747 6,761 17,762 4,778 1,781 21,782 10,783 5,784 10,790 9,794 0.8,795 1,805 1,806 2,812 5,816 1,839 1,840 4,848 31,849 2,854 4,855 1,856 1,859 1,870 1.9,874 1,877 14.833,878 9.2,879 6.694,880 2.929,881 4.196,882 1.524,883 1.04,884 5.304,885 12.21,886 3.861,887 4.494,888 5.101,889 5.721,890 6.323,891 6.615,892 7.035,893 7.503,894 7.916,895 8.217,896 1,897 50,898 11.38,900 4.867,901 7.694,902 21.655,904 17.739,905 2.194,906 68,909 1,910 188.338,911 110.219,912 170.857,914 11,917 110.219,918 199.338,919 170.857,921 13.396,922 122.652,923 118.47,924 52.646,925 8.454,926 164.795,928 188.338,929 281.076,930 11,933 188.338,935 11,937 58.201,938 138.947,939 83.928,941 188.338,942 181.857,943 110.219,946 188.338,947 35.266,948 78.077,949 18.011,950 160.722,951 188.338,952 181.857,953 110.219,955 0.581,956 0.337,957 0.188,958 0.106,959 25,960 10,961 0.071,962 4,963 1,964 1.071,965 4.257,966 292.399,967 0.071,968 28,969 149.58,974 19.579,975 8.398,976 4.251,977 1.962,978 181.857,979 15.129,980 22.067,984 3.573,986 83.805,987 480.413,988 46.5,999 52.545,1000 59.185,1001 0.281,1002 0.667,1003 0.833,1004 0.912,1005 0.919,1006 0.919,1007 5.092,1008 1.674,1009 5.958,1010 4.803,1011 4.595,1012 5.182,1013 1.324,1014 6.753,1015 4.48,1016 6.298,1017 1.618,1018 7.501,1019 4.358,1020 4.111,1021 4.956,1022 0.325,1023 7.573,1024 3.952,1025 7.603,1026 1.397,1027 9.139,1028 4.235,1029 6.172,1030 7.41,1031 0.958,1032 10.679,1033 5.956,1034 8.941,1035 1.212,1036 10.836,1037 3.133,1038 6.494,1039 7.997,1040 0.268,1041 12.32,1042 6.243,1043 10.31,1044 1.045,1045 12.569,1046 2.997,1047 8.013,1048 9.921,1049 0.736,1050 14.919,1051 7.711,1052 11.701,1053 1,1054 14.328,1055 2.591,1056 8.728,1057 10.916,1058 0.188,1059 16.913,1060 8.394,1061 13.11,1062 0.702,1063 16.105,1064 2.136,1065 10.009,1066 12.596,1067 0.57,1068 19.321,1069 9.629,1070 3.091,1071 0.048,1072 17.897,1073 1.626,1074 10.92,1075 13.806,1076 0.125,1077 21.473,1078 10.508,1079 2.928,1080 10.196,1081 19.699,1082 0.135,1083 12.094,1084 15.365,1085 0.439,1086 23.806,1087 11.641,1088 2.814,1089 9.246,1090 21.509,1091 4.338,1092 13.102,1093 16.689,1094 0.082,1095 26.032,1096 12.615,1097 2.49,1098 9.068,1099 23.327,1100 4.133,1101 14.23,1102 18.19,1103 0.334,1104 28.337,1105 13.704,1106 2.283,1107 7.507,1108 25.149,1109 3.692,1110 15.285,1111 19.573,1112 0.054,1113 30.598,1114 14.724,1115 2.033,1116 6.566,1117 26.977,1118 3.097,1119 16.396,1120 21.045,1121 0.252,1122 32.895,1123 15.797,1124 1.733,1125 5.855,1126 28.808,1127 2.958,1128 17.475,1129 22.46,1130 0.035,1131 35.174,1132 16.84,1133 12171,1134 20175,1135 24.156,1136 35.074,1137 52.365,1138 52.46,1139 53.016,1140 52.174,1141 52.136,1142 69.248,1143 4.12,1144 148.904,1145 49.06,1146 5.449,1147 5.207,1148 6.304,1149 5.147,1150 5.091,1151 7.338,1152 1.72,1153 17.054,1154 4.955,1155 10.434,1156 1.496,1157 1.499,1158 1.515,1159 1.491,1160 1.49,1161 1.979,1162 0.118,1163 4.254,1164 1.402,1165 4.078,1166 4.113,1167 4.039,1168 3.997,1169 5.299,1170 4.002,1171 3.961,1172 4.007,1173 3.931,1174 3.816,1175 5.032,1176 3.84,1177 3.783,1178 3.845,1179 3.722,1180 3.565,1181 4.982,1182 3.594,1183 3.638,1184 3.696,1185 3.55,1186 3.447,1187 4.917,1188 3.465,1189 3.441,1190 3.492,1191 3.362,1192 3.312,1193 4.601,1194 3.32,1195 3.111,1196 3.21,1197 2.986,1198 2.941,1199 4.443,1200 2.91,1201 3.094,1202 3.206,1203 2.91,1204 2.86,1205 4.394,1206 2.861,1207 3.002,1208 3.072,1209 2.866,1210 2.803,1211 4.089,1212 2.837,1213 0.127,1214 0.092,1215 0.186,1216 0.116,1217 0.088,1218 4.449,1219 0.124,1220 3.207,1221 0.025,1222 6.502,1223 0.291,1224 4.044,1225 0.084,1226 3.091,1227 4.338,1228 0.86,1229 10.196,1230 2.955,1231 2.033,1232 2.007,1233 2.111,1234 2.129,1235 1.21,1236 2.123,1237 1.876,1238 1.836,1239 1.956,1240 2.053,1241 1.197,1242 2.028,1243 1.7,1244 1.642,1245 1.871,1246 1.941,1247 0.957,1248 1.921,1249 1.563,1250 1.51,1251 1.683,1252 1.784,1253 0.825,1254 1.76,1255 1.412,1256 1.365,1257 1.551,1258 1.572,1259 0.695,1260 1.574,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.534,1266 1.429,1267 0.988,1268 0.926,1269 1.262,1270 1.369,1271 0.261,1272 1.351,1273 0.979,1274 0.886,1275 1.209,1276 1.188,1277 0.242,1278 1.187,1279 4.263,1281 5.587,1283 7.114,1285 8.73,1287 10.391,1293 11.745,1295 2.651,1296 3.339,1297 5.46,1300 2.075,1305 34.068,1306 83.416,1307 197.694,1308 246.913,1309 270.423,1310 272.423,1311 272.423,1312 39.404,1313 8.014,1314 140.99,1315 140.99,1316 30,1317 12.675,1318 4.585,1319 3.644,1320 43.329,1321 121,1322 125,1323 0.17,1324 208.186,1325 345.21,1326 499.734,1327 33750,1329 21.209,1330 0.684,1331 0.538,1332 21.209,1333 16.693,1334 15.153,1335 0.433,1336 0.282,1337 9.694,1338 14.453,1339 9.553,1340 7.861,1341 15.153,1342 9.875,1343 13.77,1344 0.281,1345 0.145,1346 13.77,1347 7.107,1348 11.612,1349 0.179,1350 0.077,1351 11.612,1352 4.984,1353 10.112,1354 0.116,1355 0.039,1356 10.112,1357 3.435,1358 8.377,1359 0.073,1360 0.02,1361 8.377,1362 2.326,1363 0.263,1364 95.612,1365 0.203,1366 28.848,1367 0.479,1368 168,1369 490.564,1370 187.447,1371 479.719,1372 672.03,1373 452,1374 198,1375 512.777,1376 217.449,1377 518.856,1378 761.46,1379 489,1380 8.585}
{0 CHEMBL2017969,1 1.659,2 10.903,3 1.786,4 3.191,5 115.063,6 8.166,7 0.486,8 4.077,9 4.202,10 3.723,11 3.567,12 5.249,13 3.591,14 4.589,15 4.753,16 4.089,17 3.951,18 5.77,19 3.956,20 4.813,21 5.014,22 4.126,23 4.075,24 5.927,25 4.056,26 4.81,27 5.035,28 4.055,29 4.014,30 6,31 3.973,32 4.738,33 4.96,34 4.008,35 3.954,36 5.842,37 3.93,38 4.668,39 4.859,40 4.062,41 3.968,42 5.838,43 3.945,44 4.778,45 4.986,46 4.055,47 4.036,48 5.854,49 4.003,50 4.866,51 5.077,52 4.06,53 4.056,54 5.99,55 4.013,56 0.113,57 0.861,58 8.967,59 3.747,60 11.759,61 4.709,62 0.454,63 1.331,64 17.594,65 6.548,66 31.124,67 8.282,68 0.528,69 1.56,70 24.276,71 7.722,72 41.565,73 10.412,74 0.589,75 1.511,76 25.31,77 8.074,78 67.726,79 11.495,80 0.546,81 1.412,82 23.754,83 7.046,84 50.169,85 9.941,86 0.509,87 1.4,88 19.779,89 7.1,90 36.505,91 9.633,92 0.47,93 1.482,94 23.502,95 7.878,96 39.844,97 10.747,98 0.524,99 1.523,100 26.892,101 9.214,102 59.002,103 12.303,104 5,105 49,106 0.274,107 0.67,108 0.802,109 0.859,110 0.866,111 0.866,112 3.472,113 0.844,114 -3.19,115 -3.18,116 -3.05,119 41.2,125 4,136 1,137 1,142 6,143 1,144 1,145 1,146 2,147 1,150 1,158 1,159 1,163 1,164 1,165 1,172 5,174 3,175 7,177 1,178 4,179 1,180 3,182 1,183 6,186 1,187 3,190 1,192 1,195 4,198 3,199 7,201 1,202 4,204 4,207 2,209 1,211 3,212 2,217 2,220 1,223 4,224 3,226 1,227 5,228 1,229 2,232 2,234 1,236 2,237 7,240 1,245 3,250 5,252 2,253 2,254 1,255 1,257 1,258 2,262 4,263 7,266 2,268 1,271 2,275 1673,276 21.325,277 21.325,278 21.325,279 21.325,280 21.325,281 18.789,282 27.91,283 12.684,284 21.955,285 17.347,286 17.347,287 17.347,288 17.347,289 17.347,290 13.466,291 43.314,292 6.111,293 18.354,294 4.013,295 1.613,296 0.814,297 0.471,298 0.431,299 0.431,300 4.186,304 1,305 1,306 751,307 2.449,311 454.123,315 140.321,318 1.473,319 31.117,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 68,331 338,332 4.446,333 3.625,334 6.502,335 4.056,336 3.091,337 4.338,338 1.283,339 10.196,340 2.998,341 4.4,342 3.166,343 6.187,344 3.907,345 2.928,346 4.035,347 0.953,348 9.246,349 2.868,350 4.107,351 2.966,352 6.146,353 3.747,354 2.814,355 3.529,356 0.86,357 9.068,358 2.61,359 3.74,360 2.787,361 5.543,362 3.43,363 2.49,364 3.094,365 0.8,366 7.507,367 2.336,368 3.642,369 2.719,370 5.249,371 3.217,372 2.283,373 2.882,374 0.4,375 6.566,376 2.136,377 3.424,378 2.459,379 4.979,380 2.98,381 2.033,382 2.68,383 0.126,384 5.855,385 1.914,386 3.159,387 2.267,388 4.676,389 2.678,390 1.733,391 2.427,393 4.803,394 1.643,395 3.118,396 2.016,397 4.414,398 2.61,399 1.674,400 2.314,402 4.358,403 1.563,404 2.915,405 1.618,406 4.367,407 2.586,408 1.618,409 2.075,411 4.235,412 1.536,413 2.872,414 1.502,415 3.933,416 2.391,417 1.397,418 1.942,420 3.133,421 1.388,422 2.68,423 1.395,424 3.616,425 2.147,426 1.212,427 1.612,428 2.997,429 1.128,430 2.203,431 1.302,432 3.491,433 1.952,434 1.045,435 1.174,436 2.591,437 0.946,438 2.184,439 1.256,440 3.247,441 1.927,442 1,443 1.036,445 2.136,446 0.916,447 2,448 0.799,449 3.19,450 1.661,451 0.702,452 1,454 1.626,455 0.672,456 1.369,457 0.717,458 2.968,459 0.996,460 0.048,461 0.061,463 0.135,464 0.045,465 14.367,466 0.463,467 0.691,468 0.022,469 43.75,470 1.411,471 21.5,472 0.694,473 22.25,474 0.718,475 22.993,476 0.742,477 32.433,478 0.636,479 34.421,480 1.11,481 8.847,482 0.285,483 6.306,484 0.203,485 0.051,487 0.341,493 0.933,494 1.443,495 0.715,496 1.064,497 0.753,498 0.871,499 0.948,500 0.974,501 0.849,502 0.927,503 0.625,504 0.888,505 1.172,506 1.13,507 1.019,508 0.958,509 0.987,510 0.953,511 0.772,512 1.031,513 0.944,514 1.006,515 0.835,516 1.002,517 1.052,518 1.033,519 0.957,520 0.862,521 1.13,522 0.874,523 0.63,524 1.01,525 0.913,526 1.067,527 0.597,528 1.047,529 0.971,530 1.043,531 1,532 1.026,533 0.959,534 1.009,535 1.142,536 1.107,537 1.029,538 1.137,539 1.337,540 1.087,541 6,542 0.169,543 2.889,544 1.875,545 1.413,546 1.069,547 0.747,548 0.427,549 0.348,550 0.333,551 13195,552 37062,553 2.18,554 39.2,556 14,557 1,558 1,559 4,564 1.743,565 2.09,566 3.404,567 1.664,568 1,569 1,573 84.616,574 1.659,575 4.059,576 4.859,577 5.202,578 5.241,579 5.241,580 2.816,581 4.518,582 4.925,583 3.561,584 1656,585 8.639,586 23428,588 1,590 1,591 289.294,592 1.215,593 4.907,594 0.171,595 0.006,596 0.059,597 0.038,598 0.031,599 0.024,600 0.016,601 0.009,602 0.008,603 0.009,604 0.371,605 0.17,606 0.75,607 0.415,608 159.48,609 -0.137,610 -0.248,611 0.042,612 -0.065,613 -0.111,614 0.015,615 0.068,616 0.14,617 0.015,618 0.044,619 0.082,620 0.011,621 -0.176,622 -0.083,623 -0.088,624 0.001,625 -0.103,626 -0.02,627 0.119,628 -0.017,629 0.021,630 -0.047,631 0.166,632 -0.036,633 -0.079,634 -0.012,635 0.012,636 0.084,637 -0.12,638 0.074,639 0.24,640 0.081,641 -0.022,642 -0.107,643 0.167,644 -0.122,645 -0.071,646 -0.01,647 -0.068,648 -0.051,649 -0.091,650 -0.051,651 -0.089,652 -0.148,653 -0.051,654 -0.136,655 -0.096,656 -0.1,657 2.03,658 5.444,659 0.903,660 29.39,661 1.015,662 1.135,663 1.957,664 3.829,665 0.677,666 3.584,667 3.912,668 4.19,669 4.477,670 4.745,671 4.82,672 4.977,673 5.165,674 5.303,675 5.416,676 6.618,677 0.662,678 416.49,679 3.584,680 5.13,681 5.984,682 6.864,683 7.731,684 8.616,685 9.49,686 10.377,687 11.254,688 12.143,689 15.7,690 1,695 1,696 1,697 1,698 1,699 3,703 2,704 7,705 3,709 4,711 17,724 1,726 1,731 51,733 20,734 1,735 35,737 55,738 21,739 13,740 2,741 4,742 4,746 5,747 6,750 1,761 17,762 4,766 3,771 1,773 1,774 1,775 3,778 1,781 20,782 10,783 4,784 10,790 8,794 0.8,795 2,805 1,806 1,812 5,816 1,826 1,832 1,833 1,839 1,840 4,848 31,849 1,854 4,855 2,856 1,859 1,870 3.9,873 1,874 1,877 14.833,878 9.083,879 6.694,880 2.913,881 3.924,882 1.49,883 1.035,884 5.304,885 11.939,886 3.861,887 4.466,888 5.05,889 5.654,890 6.242,891 6.544,892 6.952,893 7.404,894 7.803,895 8.081,896 1,897 50,898 11.423,900 4.936,901 7.774,902 21.588,904 17.73,905 2.274,906 70.5,910 188.338,911 112.595,912 139.185,914 36.145,917 112.595,918 224.482,919 139.185,921 73.352,922 56.857,923 102.977,924 60.384,925 17.897,926 164.795,928 188.338,929 251.781,930 36.145,933 188.338,934 25.145,935 11,937 114.948,938 86.476,939 50.357,941 188.338,942 175.33,943 112.595,946 188.338,947 37.643,948 78.077,949 36.022,950 136.184,951 188.338,952 175.33,953 112.595,955 0.581,956 0.337,957 0.188,958 0.106,959 25,960 10,961 0.073,962 4,963 1,964 1.071,965 4.257,966 292.399,967 0.071,968 28,969 149.58,974 19.579,975 8.398,976 4.251,977 1.916,978 175.33,979 13.323,980 13.763,984 2.273,986 68.919,987 476.263,988 46.5,993 12.444,995 1.418,996 4.004,999 51.771,1000 57.896,1001 0.292,1002 0.716,1003 0.857,1004 0.917,1005 0.924,1006 0.924,1007 5.101,1008 1.674,1009 5.958,1010 4.803,1011 4.595,1012 5.153,1013 2.138,1014 6.753,1015 4.493,1016 6.305,1017 1.618,1018 7.501,1019 4.358,1020 4.111,1021 4.924,1022 0.81,1023 7.573,1024 3.983,1025 7.611,1026 1.397,1027 9.139,1028 4.235,1029 6.172,1030 7.348,1031 2.115,1032 10.679,1033 5.982,1034 8.948,1035 1.212,1036 10.836,1037 3.133,1038 6.494,1039 7.93,1040 1.201,1041 12.32,1042 6.288,1043 10.317,1044 1.045,1045 12.569,1046 2.997,1047 8.013,1048 9.832,1049 2.267,1050 14.919,1051 7.752,1052 11.706,1053 1,1054 14.328,1055 2.591,1056 8.728,1057 10.823,1058 1.633,1059 16.913,1060 8.455,1061 13.112,1062 0.702,1063 16.105,1064 2.136,1065 10.009,1066 12.487,1067 2.524,1068 19.321,1069 9.689,1070 3.091,1071 0.048,1072 17.897,1073 1.626,1074 10.92,1075 13.696,1076 2.113,1077 21.473,1078 10.585,1079 2.928,1080 10.196,1081 19.699,1082 0.135,1083 12.094,1084 15.245,1085 2.856,1086 23.806,1087 11.722,1088 2.814,1089 9.246,1090 21.509,1091 4.338,1092 13.102,1093 16.569,1094 2.618,1095 26.032,1096 12.711,1097 2.49,1098 9.068,1099 23.327,1100 4.035,1101 14.23,1102 18.063,1103 3.242,1104 28.337,1105 13.807,1106 2.283,1107 7.507,1108 25.149,1109 3.529,1110 15.285,1111 19.447,1112 3.132,1113 30.598,1114 14.841,1115 2.033,1116 6.566,1117 26.977,1118 3.094,1119 16.396,1120 20.916,1121 3.664,1122 32.895,1123 15.923,1124 1.733,1125 5.855,1126 28.808,1127 2.882,1128 17.475,1129 22.332,1130 3.649,1131 35.174,1132 16.979,1133 12171,1134 20569,1135 24.156,1136 34.523,1137 52.709,1138 53.799,1139 53.016,1140 52.145,1141 52.136,1142 68.401,1143 8.843,1144 148.904,1145 49.4,1146 5.446,1147 5.625,1148 6.304,1149 5.159,1150 5.091,1151 7.338,1152 2.394,1153 17.054,1154 4.998,1155 10.434,1156 1.506,1157 1.537,1158 1.515,1159 1.49,1160 1.49,1161 1.954,1162 0.253,1163 4.254,1164 1.411,1165 4.077,1166 4.111,1167 4.038,1168 3.996,1169 7.429,1170 4.001,1171 3.95,1172 3.993,1173 3.919,1174 3.798,1175 5.157,1176 3.823,1177 3.769,1178 3.824,1179 3.703,1180 3.547,1181 5.031,1182 3.575,1183 3.634,1184 3.692,1185 3.549,1186 3.439,1187 4.932,1188 3.458,1189 3.442,1190 3.494,1191 3.363,1192 3.307,1193 4.602,1194 3.317,1195 3.113,1196 3.206,1197 3.038,1198 2.941,1199 4.431,1200 2.91,1201 3.111,1202 3.19,1203 2.912,1204 2.86,1205 4.378,1206 2.886,1207 3.002,1208 3.068,1209 2.866,1210 2.845,1211 4.087,1212 2.857,1213 0.127,1214 0.104,1215 0.186,1216 0.116,1217 0.088,1218 4.446,1219 0.124,1220 3.625,1221 0.037,1222 6.502,1223 0.291,1224 4.056,1225 0.086,1226 3.091,1227 4.338,1228 1.283,1229 10.196,1230 2.998,1231 2.032,1232 2.007,1233 2.111,1234 2.128,1235 1.21,1236 2.123,1237 1.86,1238 1.822,1239 1.951,1240 2.044,1241 1.197,1242 2.018,1243 1.685,1244 1.631,1245 1.854,1246 1.927,1247 0.942,1248 1.905,1249 1.551,1250 1.5,1251 1.672,1252 1.783,1253 0.825,1254 1.755,1255 1.41,1256 1.363,1257 1.55,1258 1.575,1259 0.69,1260 1.576,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.531,1266 1.429,1267 1.005,1268 0.929,1269 1.235,1270 1.326,1271 0.262,1272 1.303,1273 0.982,1274 0.921,1275 1.209,1276 1.178,1277 0.242,1278 1.181,1279 4.263,1281 5.587,1283 7.114,1285 8.73,1287 10.391,1293 5.589,1295 2.511,1296 5.8,1297 5.435,1300 2.024,1305 33.762,1306 84.616,1307 207.029,1308 247.784,1309 265.294,1310 267.294,1311 267.294,1312 44.419,1313 8.014,1314 134.94,1315 134.94,1316 30,1317 12.675,1318 4.392,1319 3.644,1320 43.329,1321 121,1322 125,1323 0.17,1324 205.388,1325 353.9,1326 492.907,1327 33750,1329 21.209,1330 0.684,1331 0.535,1332 21.209,1333 16.577,1334 15.153,1335 0.433,1336 0.281,1337 9.657,1338 14.423,1339 9.528,1340 7.827,1341 15.153,1342 9.844,1343 13.77,1344 0.281,1345 0.145,1346 13.77,1347 7.091,1348 11.612,1349 0.179,1350 0.076,1351 11.612,1352 4.966,1353 10.112,1354 0.116,1355 0.039,1356 10.112,1357 3.42,1358 8.377,1359 0.073,1360 0.02,1361 8.377,1362 2.33,1363 0.263,1364 95.9,1365 0.203,1366 28.848,1367 0.479,1368 168,1369 517.675,1370 188.579,1371 499.97,1372 691.9,1373 470,1374 198,1375 519.005,1376 218.443,1377 523.237,1378 768.43,1379 493,1380 8.131}
{0 CHEMBL2017970,1 1.811,2 11.088,3 4.011,4 16.089,5 120.569,6 8.839,7 0.605,8 4.126,9 4.244,10 3.822,11 3.602,12 5.347,13 3.646,14 4.668,15 4.827,16 4.263,17 3.978,18 6.273,19 4.015,20 4.846,21 5.041,22 4.26,23 4.111,24 6.095,25 4.114,26 4.871,27 5.081,28 4.251,29 4.077,30 6.118,31 4.083,32 4.893,33 5.109,34 4.329,35 4.029,36 6.424,37 4.061,38 4.818,39 5.013,40 4.211,41 4.025,42 6.112,43 4.045,44 4.863,45 5.067,46 4.29,47 4.087,48 6.197,49 4.086,50 4.947,51 5.153,52 4.261,53 4.138,54 6.157,55 4.131,56 0.244,57 1.09,58 7.584,59 4.134,60 30.725,61 4.543,62 1.103,63 1.99,64 17.67,65 7.138,66 149.284,67 7.848,68 0.874,69 1.874,70 22.679,71 8.003,72 70.958,73 10.186,74 0.752,75 2,76 23.872,77 8.793,78 71.233,79 11.061,80 1.263,81 2.103,82 26.346,83 7.776,84 139.118,85 10.005,86 0.951,87 1.93,88 22.706,89 8.468,90 103.734,91 9.154,92 1.065,93 1.938,94 23.63,95 8.101,96 72.926,97 10.786,98 0.898,99 2.093,100 26.802,101 10.415,102 100.284,103 12.479,104 18,105 55,106 0.297,107 0.653,108 0.796,109 0.85,110 0.857,111 0.857,112 3.561,113 0.821,114 -4.05,115 -4,116 -3.79,119 41.5,125 4,132 1,142 6,143 2,144 1,145 2,146 3,147 1,150 2,163 1,164 1,165 1,172 5,174 4,175 7,177 2,178 3,180 2,183 6,186 1,187 3,190 1,192 1,195 4,198 2,199 7,202 2,204 3,207 2,209 1,211 3,212 2,217 2,220 1,223 4,224 3,226 1,227 3,229 2,232 2,234 1,236 2,237 7,240 1,245 3,250 5,252 2,253 2,254 1,257 1,258 2,262 4,263 7,271 2,275 2048,276 22.797,277 22.797,278 22.797,279 22.797,280 22.797,281 20.184,282 27.559,283 13.385,284 23.697,285 18.842,286 18.842,287 18.842,288 18.842,289 18.842,290 14.826,291 43.433,292 6.455,293 20.391,294 3.916,295 1.748,296 0.873,297 0.543,298 0.505,299 0.505,300 4.268,304 1,305 1,306 826,307 3.464,311 502.906,315 155.547,318 1.505,319 53.33,322 1,323 0.67,324 1,325 0.8,327 1,328 1,329 0.78,330 77.5,331 377,332 4.618,333 4.471,334 7.289,335 4.299,336 3.412,337 4.338,338 3.825,339 12.464,340 3.086,341 4.411,342 3.19,343 6.302,344 3.928,345 2.99,346 4.215,347 0.86,348 9.612,349 2.871,350 4.247,351 2.967,352 6.184,353 3.86,354 2.911,355 3.776,356 0.8,357 9.232,358 2.675,359 3.821,360 2.883,361 6.038,362 3.54,363 2.632,364 3.099,365 0.4,366 8.622,367 2.372,368 3.737,369 2.646,370 5.516,371 3.389,372 2.459,373 3.041,375 7.438,376 2.268,377 3.626,378 2.395,379 5.153,380 3.19,381 2.273,382 2.951,384 6.358,385 2.063,386 3.372,387 2.272,388 4.979,389 2.955,390 2.008,391 2.658,393 5.855,394 1.894,395 3.118,396 2.046,397 4.59,398 2.628,399 1.725,400 2.427,402 4.535,403 1.565,404 2.942,405 1.634,406 4.411,407 2.586,408 1.618,409 2.092,411 4.339,412 1.549,413 2.874,414 1.618,415 4.358,416 2.397,417 1.419,418 1.998,420 4.071,421 1.391,422 2.762,423 1.416,424 3.941,425 2.305,426 1.374,427 1.84,428 3.006,429 1.261,430 2.573,431 1.379,432 3.616,433 2.033,434 1.132,435 1.604,436 2.962,437 1.01,438 2.203,439 1.256,440 3.491,441 1.952,442 1.045,443 1.176,445 2.59,446 0.946,447 2.184,448 1.163,449 3.247,450 1.927,451 1,452 1.036,454 2.136,455 0.916,456 2,457 0.718,458 3.19,459 1.661,460 0.702,461 1,463 1.626,464 0.672,465 15.39,466 0.453,467 0.98,468 0.029,469 47.75,470 1.404,471 23.5,472 0.691,473 24.25,474 0.713,475 26.835,476 0.789,477 36.81,478 0.695,479 41.405,480 1.218,481 9.57,482 0.281,483 6.795,484 0.2,485 0.082,486 0.032,487 0.318,490 3,493 0.706,494 1.166,495 0.625,496 1.089,497 0.646,498 0.887,499 0.629,500 0.756,501 0.731,502 0.877,503 0.385,504 0.858,505 0.685,506 0.837,507 0.863,508 0.915,509 0.504,510 0.942,511 0.755,512 1.101,513 0.84,514 1.107,515 0.718,516 1.027,517 0.847,518 0.892,519 0.869,520 0.858,521 0.853,522 0.865,523 1.187,524 1.121,525 1.096,526 1.038,527 1.238,528 1.031,529 0.53,530 0.687,531 0.824,532 0.941,533 0.597,534 0.986,535 0.912,536 1.106,537 0.945,538 1.172,539 0.897,540 1.106,541 8,542 0.272,543 3.556,544 2.375,545 2.111,546 1.368,547 0.973,548 0.667,549 0.546,550 0.452,551 16006,552 53469,553 2.12,554 35.8,556 14,558 2,559 3,564 1.768,565 1.99,566 3.404,567 0.928,569 1,573 96.007,574 1.811,575 3.98,576 4.855,577 5.185,578 5.223,579 5.223,580 2.795,581 4.452,582 5.06,583 3.589,584 2013.38,585 8.917,586 30202.7,591 303.58,592 1.501,593 5.017,594 0.211,595 0.007,596 0.065,597 0.042,598 0.039,599 0.024,600 0.019,601 0.012,602 0.01,603 0.009,604 0.438,605 0.33,606 0.75,607 0.662,608 179.346,609 -0.096,610 -0.193,611 0.027,612 -0.085,613 -0.118,615 0.292,616 0.264,617 0.091,618 0.094,619 0.434,620 0.028,621 0.007,622 -0.003,623 -0.007,624 0.029,625 0.045,626 0.009,627 -0.028,628 -0.216,629 0.064,630 -0.148,631 -0.014,632 -0.044,633 0.173,634 0.146,635 0.102,636 0.072,637 0.194,638 0.055,639 -0.17,640 -0.024,641 -0.18,642 -0.059,643 -0.179,644 -0.107,645 0.253,646 0.221,647 0.069,648 0.005,649 0.113,650 -0.036,651 -0.067,652 -0.188,653 -0.006,654 -0.163,655 -0.073,656 -0.092,657 5.994,658 5.725,659 0.824,660 32.837,661 1.035,662 1.153,663 2.821,664 7.96,665 0.672,666 3.664,667 4.025,668 4.277,669 4.575,670 4.868,671 4.913,672 5.112,673 5.263,674 5.442,675 5.529,676 6.82,677 0.674,678 468.49,679 3.664,680 5.231,681 6.084,682 6.982,683 7.855,684 8.754,685 9.636,686 10.536,687 11.423,688 12.322,689 15.1,693 1,695 1,697 1,699 5,703 2,704 8,705 5,709 7,711 23,722 1,724 1,726 1,731 53,733 23,734 1,735 38,737 57,738 22,739 17,740 2,741 4,746 5,747 6,752 1,757 1,761 17,762 5,778 1,779 3,781 19,782 12,783 3,784 12,790 8,794 0.8,795 1,805 1,806 2,812 5,816 1,839 1,840 4,846 3,848 34,849 1,854 4,855 1,856 1,859 1,860 1,869 3,870 1.9,874 1,877 17.083,878 9.545,879 7.194,880 3.015,881 4.32,882 1.526,883 1.029,884 5.905,885 12.527,886 3.922,887 4.559,888 5.155,889 5.778,890 6.393,891 6.681,892 7.129,893 7.556,894 7.998,895 8.279,896 1,897 56,898 13.202,900 6.339,901 8.125,902 23.11,904 18.993,905 2.625,906 89.25,910 188.338,911 118.407,912 137.96,914 11,915 44.88,917 118.407,918 199.338,919 182.84,921 13.396,922 89.755,923 118.47,924 100.283,925 6.126,926 164.795,927 7.76,928 188.338,929 256.367,930 55.88,933 188.338,934 44.88,935 11,937 68.717,938 103.722,939 83.928,941 233.218,942 148.96,943 118.407,946 196.097,947 35.695,948 78.077,949 18.011,950 172.705,951 188.338,952 193.84,953 118.407,955 0.591,956 0.333,957 0.184,958 0.111,959 28,960 12,961 0.07,962 4,963 1,964 1.071,965 4.363,966 336.569,967 0.071,968 28,969 164.219,974 22.269,975 9.015,976 4.89,977 1.723,978 193.84,979 13.546,980 20.547,984 -0.723,986 50.908,987 500.585,988 49.5,999 54.865,1000 61.121,1001 0.316,1002 0.695,1003 0.848,1004 0.905,1005 0.912,1006 0.912,1007 5.18,1008 1.725,1009 6.103,1010 5.855,1011 4.71,1012 5.247,1013 3.161,1014 6.95,1015 4.562,1016 6.408,1017 1.618,1018 7.685,1019 4.535,1020 4.443,1021 5.112,1022 3.911,1023 8.05,1024 4.15,1025 7.733,1026 1.419,1027 9.376,1028 4.339,1029 6.375,1030 7.48,1031 5.427,1032 11.104,1033 6.075,1034 9.092,1035 1.374,1036 11.134,1037 4.071,1038 6.899,1039 8.123,1040 6.69,1041 13.031,1042 6.451,1043 10.483,1044 1.132,1045 12.937,1046 3.006,1047 8.352,1048 10.002,1049 8.058,1050 15.676,1051 7.881,1052 11.895,1053 1.045,1054 14.772,1055 2.962,1056 9.235,1057 11.03,1058 9.389,1059 17.94,1060 8.63,1061 13.325,1062 1,1063 16.632,1064 2.59,1065 10.508,1066 12.687,1067 10.734,1068 20.472,1069 9.854,1070 3.412,1071 0.702,1072 18.511,1073 2.136,1074 11.559,1075 13.918,1076 12.074,1077 22.879,1078 10.785,1079 2.99,1080 12.464,1081 20.406,1082 1.626,1083 12.769,1084 15.466,1085 13.416,1086 25.386,1087 11.925,1088 2.911,1089 9.612,1090 22.315,1091 4.338,1092 13.897,1093 16.803,1094 14.758,1095 27.854,1096 12.944,1097 2.632,1098 9.232,1099 24.234,1100 4.215,1101 15.091,1102 18.3,1103 16.1,1104 30.361,1105 14.053,1106 2.459,1107 8.622,1108 26.164,1109 3.776,1110 16.258,1111 19.692,1112 17.441,1113 32.857,1114 15.114,1115 2.273,1116 7.438,1117 28.101,1118 3.099,1119 17.452,1120 21.164,1121 18.783,1122 35.368,1123 16.214,1124 2.008,1125 6.358,1126 30.045,1127 3.041,1128 18.638,1129 22.585,1130 20.124,1131 37.877,1132 17.297,1133 14961,1134 27625,1135 25.542,1136 35.642,1137 58.031,1138 57.799,1139 58.035,1140 57.722,1141 57.494,1142 74.627,1143 11.771,1144 169.962,1145 53.166,1146 5.618,1147 6.471,1148 7.091,1149 5.402,1150 5.412,1151 7.338,1152 5.335,1153 20.218,1154 5.086,1155 15.425,1156 1.527,1157 1.521,1158 1.527,1159 1.519,1160 1.513,1161 1.964,1162 0.31,1163 4.473,1164 1.399,1165 4.08,1166 4.115,1167 4.043,1168 3.997,1169 8.513,1170 4.002,1171 3.973,1172 4.014,1173 3.951,1174 3.831,1175 7.999,1176 3.856,1177 3.799,1178 3.857,1179 3.753,1180 3.579,1181 7.999,1182 3.611,1183 3.645,1184 3.7,1185 3.556,1186 3.453,1187 5.224,1188 3.47,1189 3.442,1190 3.492,1191 3.367,1192 3.316,1193 5.031,1194 3.323,1195 3.309,1196 3.373,1197 3.324,1198 2.941,1199 4.933,1200 3.004,1201 3.111,1202 3.206,1203 2.936,1204 2.922,1205 4.606,1206 2.91,1207 3.018,1208 3.102,1209 2.899,1210 2.859,1211 4.532,1212 2.86,1213 0.122,1214 0.118,1215 0.192,1216 0.113,1217 0.09,1218 4.618,1219 0.114,1220 4.471,1221 0.101,1222 7.289,1223 0.328,1224 4.299,1225 0.081,1226 3.412,1227 4.338,1228 3.825,1229 12.464,1230 3.086,1231 2.033,1232 2.007,1233 2.111,1234 2.129,1235 1.21,1236 2.123,1237 1.884,1238 1.848,1239 1.956,1240 2.056,1241 1.198,1242 2.029,1243 1.706,1244 1.651,1245 1.87,1246 1.947,1247 0.986,1248 1.923,1249 1.568,1250 1.517,1251 1.682,1252 1.788,1253 0.825,1254 1.761,1255 1.413,1256 1.369,1257 1.55,1258 1.572,1259 0.708,1260 1.574,1261 1.153,1262 1.064,1263 1.513,1264 1.462,1265 0.558,1266 1.429,1267 1.047,1268 0.983,1269 1.23,1270 1.376,1271 0.261,1272 1.367,1273 0.984,1274 0.926,1275 1.209,1276 1.226,1277 0.242,1278 1.193,1279 4.344,1281 5.694,1283 7.238,1285 8.869,1287 10.545,1291 41.175,1293 5.43,1295 1.934,1296 3.137,1297 5.376,1300 1.849,1301 -4.744,1305 35.723,1306 96.007,1307 210.951,1308 257.315,1309 274.825,1310 276.825,1311 276.825,1312 63.533,1313 8.207,1314 114.97,1315 114.97,1316 30,1317 12.847,1318 4.585,1319 3.644,1320 49.572,1321 139,1322 146,1323 0.172,1324 214.579,1325 369.72,1326 515.332,1327 42459,1328 5.7,1329 23.709,1330 0.697,1331 0.522,1332 21.209,1333 17.75,1334 16.364,1335 0.431,1336 0.274,1337 10.156,1338 15.41,1339 10.068,1340 8.222,1341 15.153,1342 10.404,1343 15.765,1344 0.287,1345 0.138,1346 13.77,1347 7.568,1348 12.393,1349 0.175,1350 0.074,1351 11.612,1352 5.223,1353 10.687,1354 0.111,1355 0.038,1356 10.112,1357 3.628,1358 9.453,1359 0.073,1360 0.019,1361 8.377,1362 2.49,1363 0.265,1364 104.841,1365 0.198,1366 30.942,1367 0.49,1368 186,1369 757.585,1370 221.382,1371 649.718,1372 868.05,1373 606,1374 219,1375 627.932,1376 248.716,1377 613.962,1378 923.62,1379 577,1380 8.658}
{0 CHEMBL2017971,1 1.656,2 8.72,3 0.754,4 0.568,5 96.063,6 7.466,7 0.429,8 3.966,9 4.099,10 3.544,11 3.364,12 5.027,13 3.389,14 4.543,15 4.739,16 3.878,17 3.744,18 5.584,19 3.747,20 4.728,21 4.954,22 3.882,23 3.895,24 5.669,25 3.851,26 4.706,27 4.954,28 3.794,29 3.875,30 5.646,31 3.798,32 4.688,33 4.943,34 3.85,35 3.841,36 5.625,37 3.788,38 4.599,39 4.802,40 3.886,41 3.861,42 5.589,43 3.827,44 4.731,45 4.934,46 3.851,47 3.967,48 5.654,49 3.885,50 4.955,51 5.238,52 3.691,53 3.935,54 5.772,55 3.792,56 0.08,57 0.735,58 9.906,59 3.289,60 7.62,61 4.994,62 0.533,63 1.102,64 20.708,65 5.59,66 32.454,67 8.251,68 0.569,69 1.277,70 25.565,71 6.548,72 31.835,73 10.719,74 0.424,75 1.26,76 24.668,77 6.961,78 34.754,79 11.389,80 0.486,81 1.21,82 24.889,83 6.478,84 35.163,85 11.057,86 0.44,87 1.226,88 20.981,89 6.367,90 24.147,91 9.56,92 0.4,93 1.314,94 23.877,95 7.886,96 24.373,97 12.084,98 0.538,99 1.281,100 34.087,101 9.779,102 46.244,103 15.649,104 2,105 38,106 0.287,107 0.569,108 0.677,109 0.692,110 0.737,111 0.775,112 3.268,113 0.902,114 -2.73,115 -2.74,116 -2.66,119 34.8,125 8,142 1,143 1,145 2,146 1,147 1,150 2,163 1,164 1,165 1,174 5,175 6,177 2,178 2,183 1,186 2,198 4,199 6,204 1,209 1,211 3,212 1,223 6,226 1,227 1,229 1,234 1,236 3,237 3,252 3,253 3,262 4,275 853,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 16.001,282 24.072,283 10.533,284 18.168,285 13.88,286 13.88,287 13.88,288 13.88,289 13.88,290 11.775,291 34.723,292 5.081,293 15.151,294 3.867,295 2.234,296 1.609,297 1.522,298 1.261,299 1.043,300 3.971,304 1,305 1,306 478,307 1.871,311 310.67,318 1.194,319 23.064,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 55.5,331 218,332 4.393,333 3.246,334 6.383,335 4.006,336 3.069,337 4.048,338 0.86,339 9.929,340 2.892,341 4.031,342 3.013,343 6.021,344 3.664,345 2.718,346 3.568,347 0.86,348 8.65,349 2.557,350 3.795,351 2.808,352 6.016,353 3.596,354 2.684,355 2.972,356 0.8,357 8.629,358 2.445,359 3.617,360 2.434,361 5.049,362 3.197,363 2.285,364 2.954,365 0.8,366 6.108,367 2.081,368 3.094,369 2.281,370 4.668,371 2.827,372 1.914,373 2.183,375 5.033,376 1.744,377 2.838,378 2.25,379 4.283,380 2.587,381 1.697,382 1.879,384 4.065,385 1.505,386 2.734,387 1.705,388 4.173,389 2.297,390 1.375,391 1.813,393 3.645,394 1.262,395 2.5,396 1.288,397 3.508,398 1.966,399 1.086,400 1.5,402 2.667,403 0.95,404 2.231,405 1.256,406 3.472,407 1.952,408 1,409 1.213,411 2.509,412 0.946,413 2.166,414 1.256,415 3.414,416 1.952,417 1,418 1.132,420 2.275,421 0.946,422 2,423 1.247,424 3.247,425 1.917,426 1,427 1,428 2.136,429 0.916,430 2,431 1,432 3.247,433 1.884,434 1,435 1,436 2.136,437 0.879,438 1.179,439 -0.033,440 2.682,441 0.77,442 -0.15,443 -0.189,445 -0.34,446 -0.137,447 0.834,448 -0.299,449 2.6,450 0.474,451 -0.456,452 -0.533,454 -1.194,455 -0.423,456 0.737,457 -0.36,458 2.387,459 0.368,460 -0.555,461 -0.616,463 -1.364,464 -0.511,465 11.467,466 0.459,467 0.465,468 0.019,469 32.25,470 1.29,471 13.5,472 0.54,473 18.75,474 0.75,475 19.448,476 0.778,477 28.133,478 0.612,479 22.596,480 0.904,481 6.376,482 0.255,483 5.917,484 0.237,485 0.035,487 0.288,493 0.975,494 1.817,495 0.768,496 1.383,497 0.953,498 1.074,499 1.369,500 0.916,501 0.979,502 0.849,503 0.907,504 0.853,505 1.172,506 1.138,507 1.031,508 0.92,509 0.947,510 0.946,511 0.699,512 1.084,513 0.99,514 1.081,515 0.956,516 1.076,517 0.677,518 1.068,519 0.774,520 0.869,521 0.704,522 0.828,523 0.902,524 0.963,525 1.066,526 1.071,527 0.73,528 1.085,529 0.733,530 1.34,531 1.167,532 1.449,533 0.836,534 1.398,535 0.753,536 1.026,537 0.993,538 1.225,539 0.813,540 1.167,541 4,542 0.05,543 2.444,544 0.813,545 0.858,546 1.194,547 0.446,548 0.116,549 0.216,550 0.147,551 6928,552 18650,553 2.179,554 45.7,556 17,558 2,559 2,564 1.688,565 2.113,566 3.12,567 0.391,569 1,573 76.194,574 1.656,575 3.29,576 3.915,577 4.002,578 4.263,579 4.48,580 2.44,581 3.524,582 4.613,583 3.255,584 976.494,585 8.024,586 11746.5,588 1,591 254.084,592 1.078,593 4.606,594 0.143,595 0.007,596 0.064,597 0.021,598 0.025,599 0.032,600 0.012,601 0.003,602 0.008,603 0.009,604 0.325,605 0.5,606 1,607 0.372,608 118.549,609 -0.093,610 -0.5,611 0.082,612 -0.237,613 -0.057,614 -0.064,615 -0.11,616 0.202,617 -0.01,618 0.132,619 0.075,620 0.075,621 -0.156,622 -0.084,623 -0.072,624 0.074,625 -0.075,626 0.021,627 -0.01,628 -0.01,629 -0.065,630 -0.08,631 -0.1,632 -0.082,633 0.097,634 -0.046,635 0.179,636 0.121,637 0.092,638 0.166,639 -0.035,640 0.235,641 -0.16,642 -0.049,643 0.007,644 -0.12,645 0.017,646 -0.201,647 -0.281,648 -0.357,649 -0.097,650 -0.374,651 0.051,652 -0.146,653 -0.013,654 -0.228,655 0.049,656 -0.144,657 1.417,658 1.95,659 0.96,660 20.144,661 1.012,662 1.148,663 1.497,664 2.242,665 0.636,666 3.367,667 3.664,668 3.932,669 4.19,670 4.489,671 4.543,672 4.727,673 4.86,674 4.977,675 5.004,676 5.489,677 0.615,678 343.44,679 3.367,680 4.89,681 5.733,682 6.597,683 7.46,684 8.333,685 9.204,686 10.082,687 10.959,688 11.84,689 15.2,693 1,695 2,699 4,704 3,705 4,709 5,711 12,722 1,726 2,731 46,733 12,735 28,737 49,738 16,739 8,746 4,747 4,761 8,762 8,777 1,778 1,781 21,782 9,783 2,784 9,790 7,794 1,795 2,806 2,812 4,839 2,840 4,848 25,849 1,854 8,856 2,859 2,870 4.3,874 2,877 11.833,878 8.117,879 5.5,880 2.746,881 2.153,882 1.298,883 0.987,884 4.922,885 9.365,886 3.555,887 4.078,888 4.615,889 5.166,890 5.752,891 6.015,892 6.433,893 6.783,894 7.097,895 7.336,896 0.833,897 38,898 9.219,900 3.868,901 7.633,902 17.819,904 14.495,905 2.133,906 53.333,910 223.651,911 66.432,912 106.288,914 22,917 66.432,918 245.651,919 106.288,921 26.792,922 42.373,923 112.684,924 30.286,925 6.126,926 200.109,928 223.651,929 172.72,930 22,933 223.651,935 22,937 51.442,938 54.136,939 67.142,941 223.651,942 128.288,943 66.432,946 223.651,947 38.861,948 33.82,950 122.039,951 223.651,952 128.288,953 66.432,955 0.572,956 0.329,957 0.179,958 0.107,959 19,960 7,961 0.061,962 3,964 1,965 3.745,966 213.173,968 24,969 104.096,974 16.455,975 7.478,976 3.814,978 128.288,979 5.359,980 17.678,984 3.462,986 32.897,987 418.371,988 34,999 46.552,1000 52.813,1001 0.3,1002 0.596,1003 0.709,1004 0.725,1005 0.772,1006 0.811,1007 4.787,1008 1.086,1009 5.687,1010 3.645,1011 4.344,1012 4.762,1013 1.771,1014 6.457,1015 4.182,1016 5.936,1017 1,1018 7.212,1019 2.667,1020 3.761,1021 4.388,1022 0.57,1023 7.248,1024 3.548,1025 7.209,1026 1,1027 8.837,1028 2.509,1029 5.889,1030 6.835,1031 1.413,1032 10.352,1033 5.585,1034 8.516,1035 1,1036 10.525,1037 2.275,1038 6.155,1039 7.302,1040 0.479,1041 11.992,1042 5.809,1043 9.859,1044 1,1045 12.253,1046 2.136,1047 7.71,1048 9.215,1049 1.15,1050 14.573,1051 7.28,1052 11.225,1053 -0.15,1054 14.008,1055 2.136,1056 8.385,1057 10.086,1058 0.346,1059 16.558,1060 7.914,1061 12.61,1062 -0.456,1063 15.782,1064 -0.34,1065 9.682,1066 11.752,1067 0.93,1068 18.944,1069 9.134,1070 3.069,1071 -0.555,1072 17.569,1073 -1.194,1074 10.565,1075 12.841,1076 0.237,1077 21.08,1078 9.973,1079 2.718,1080 9.929,1081 19.366,1082 -1.364,1083 11.744,1084 14.379,1085 0.742,1086 23.391,1087 11.082,1088 2.684,1089 8.65,1090 21.17,1091 4.048,1092 12.733,1093 15.592,1094 0.158,1095 25.597,1096 12.022,1097 2.285,1098 8.629,1099 22.98,1100 3.568,1101 13.86,1102 17.063,1103 0.583,1104 27.879,1105 13.087,1106 1.914,1107 6.108,1108 24.794,1109 2.972,1110 14.903,1111 18.349,1112 0.104,1113 30.119,1114 14.078,1115 1.697,1116 5.033,1117 26.611,1118 2.954,1119 16.011,1120 19.782,1121 0.452,1122 32.394,1123 15.126,1124 1.375,1125 4.065,1126 28.431,1127 2.183,1128 17.083,1129 21.111,1130 0.068,1131 34.652,1132 16.144,1133 6530,1134 10832,1135 19.474,1136 29.279,1137 41.654,1138 42.219,1139 41.816,1140 41.665,1141 41.657,1142 50.526,1143 6.64,1144 115.562,1145 38.245,1146 5.393,1147 5.246,1148 6.185,1149 5.11,1150 5.069,1151 7.048,1152 1.72,1153 16.402,1154 4.807,1155 6.564,1156 1.488,1157 1.508,1158 1.493,1159 1.488,1160 1.488,1161 1.805,1162 0.237,1163 4.127,1164 1.366,1165 3.996,1166 4.048,1167 3.96,1168 3.835,1169 5.24,1170 3.859,1171 3.786,1172 3.846,1173 3.725,1174 3.581,1175 4.966,1176 3.607,1177 3.745,1178 3.803,1179 3.626,1180 3.518,1181 4.616,1182 3.535,1183 3.547,1184 3.602,1185 3.457,1186 3.332,1187 4.612,1188 3.355,1189 3.111,1190 3.206,1191 2.944,1192 2.941,1193 4.545,1194 2.91,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.978,1200 2.91,1201 3.043,1202 3.138,1203 2.866,1204 2.78,1205 3.962,1206 2.814,1207 2.937,1208 2.998,1209 2.842,1210 2.651,1211 3.848,1212 2.688,1213 0.157,1214 0.116,1215 0.228,1216 0.143,1217 0.11,1218 4.393,1219 0.145,1220 3.246,1221 0.031,1222 6.383,1223 0.355,1224 4.006,1225 0.103,1226 3.069,1227 4.048,1228 0.86,1229 9.929,1230 2.892,1231 1.891,1232 1.849,1233 1.985,1234 2.079,1235 1.219,1236 2.053,1237 1.706,1238 1.65,1239 1.904,1240 1.933,1241 1.188,1242 1.926,1243 1.68,1244 1.621,1245 1.856,1246 1.932,1247 0.937,1248 1.91,1249 1.457,1250 1.403,1251 1.589,1252 1.699,1253 0.825,1254 1.673,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.568,1266 1.429,1267 0.951,1268 0.864,1269 1.222,1270 1.285,1271 0.269,1272 1.278,1273 0.823,1274 0.757,1275 1.105,1276 1.157,1277 0.202,1278 1.138,1279 4.043,1281 5.342,1283 6.851,1285 8.446,1287 10.085,1293 5.599,1295 5.98,1297 10.888,1300 4.367,1305 28.267,1306 76.194,1307 151.329,1308 180.084,1309 184.084,1310 196.084,1311 206.084,1312 29.626,1313 7.212,1314 102.52,1315 102.52,1316 24,1317 12.377,1318 3.7,1319 2.807,1320 35.552,1321 83,1322 85,1323 0.214,1324 172.662,1325 292.86,1326 413.056,1327 11536,1329 17.062,1330 0.682,1331 0.559,1332 17.062,1333 13.966,1334 12.293,1335 0.439,1336 0.301,1337 8.21,1338 11.511,1339 8.119,1340 6.605,1341 12.293,1342 8.418,1343 10.803,1344 0.284,1345 0.156,1346 10.803,1347 5.94,1348 9.177,1349 0.184,1350 0.086,1351 9.177,1352 4.297,1353 7.578,1354 0.117,1355 0.045,1356 7.578,1357 2.899,1358 6.602,1359 0.075,1360 0.023,1361 6.602,1362 2.008,1363 0.325,1364 78.92,1365 0.227,1366 23.885,1367 0.623,1368 132,1369 416.654,1370 151.55,1371 389.607,1372 536.87,1373 370,1374 154,1375 394.315,1376 174.025,1377 393.114,1378 579.7,1379 370,1380 7.735}
{0 CHEMBL2017972,1 1.741,2 8.731,3 2.064,4 4.262,5 102.414,6 8.019,7 0.414,8 3.984,9 4.108,10 3.617,11 3.43,12 5.04,13 3.441,14 4.562,15 4.747,16 3.982,17 3.822,18 5.596,19 3.812,20 4.768,21 4.984,22 4.048,23 3.99,24 5.733,25 3.933,26 4.749,27 4.982,28 4.05,29 3.966,30 5.772,31 3.886,32 4.724,33 4.964,34 3.976,35 3.93,36 5.691,37 3.862,38 4.632,39 4.822,40 4.066,41 3.927,42 5.651,43 3.891,44 4.765,45 4.957,46 4.063,47 4.068,48 5.705,49 3.98,50 4.994,51 5.238,52 3.971,53 4.117,54 5.863,55 3.95,56 0.09,57 0.732,58 9.279,59 3.732,60 7.341,61 5.092,62 0.503,63 1.123,64 20.705,65 6.315,66 28.873,67 8.539,68 0.614,69 1.307,70 28.174,71 7.83,72 33.332,73 11.331,74 0.517,75 1.285,76 28.777,77 7.97,78 44.589,79 12.075,80 0.551,81 1.235,82 29.232,83 7.768,84 39.022,85 11.726,86 0.479,87 1.244,88 22.408,89 6.688,90 25.436,91 9.739,92 0.45,93 1.335,94 25.08,95 8.869,96 24.562,97 12.414,98 0.601,99 1.325,100 44.322,101 12.964,102 50.455,103 17.828,104 5,105 40,106 0.3,107 0.592,108 0.7,109 0.722,110 0.766,111 0.803,112 3.305,113 0.935,114 -3.54,115 -3.52,116 -3.35,119 36.2,125 8,142 2,143 1,144 1,145 1,146 1,147 2,150 1,163 1,164 1,165 1,174 4,175 6,177 1,178 1,180 1,183 4,185 1,186 2,198 3,199 8,204 2,207 2,209 2,211 3,212 1,223 3,224 6,226 1,227 1,229 1,234 1,236 3,237 3,252 3,253 3,262 2,263 4,275 964,276 17.861,277 17.861,278 17.861,279 17.861,280 17.861,281 16.448,282 25.673,283 10.738,284 18.708,285 14.364,286 14.364,287 14.364,288 14.364,289 14.364,290 12.171,291 36.63,292 5.162,293 15.749,294 3.814,295 2.117,296 1.489,297 1.362,298 1.106,299 0.894,300 4.005,301 1,303 1,304 1,305 1,306 495,307 2,311 322.988,318 1.157,319 25.924,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 57.333,331 227,332 4.455,333 3.296,334 6.522,335 4.055,336 3.113,337 4.141,338 0.86,339 10.285,340 2.928,341 4.153,342 3.14,343 6.216,344 3.774,345 2.852,346 3.714,347 0.86,348 9.268,349 2.614,350 3.795,351 3.013,352 6.016,353 3.596,354 2.684,355 2.972,356 0.8,357 8.629,358 2.445,359 3.618,360 2.484,361 5.25,362 3.24,363 2.299,364 2.955,365 0.8,366 6.531,367 2.156,368 3.192,369 2.295,370 4.804,371 2.865,372 1.958,373 2.362,375 5.267,376 1.766,377 2.947,378 2.25,379 4.487,380 2.587,381 1.697,382 2.033,384 4.408,385 1.505,386 2.838,387 2.166,388 4.283,389 2.537,390 1.671,391 1.879,393 4.065,394 1.392,395 2.655,396 1.628,397 3.93,398 2.166,399 1.258,400 1.72,402 3.137,403 1.118,404 2.232,405 1.288,406 3.508,407 1.965,408 1.076,409 1.215,411 2.658,412 0.949,413 2.166,414 1.256,415 3.472,416 1.952,417 1,418 1.132,420 2.509,421 0.946,422 2,423 1.256,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 1.185,432 3.247,433 1.884,434 1,435 1,436 2.136,437 0.879,438 1.319,439 0.355,440 2.801,441 0.887,447 0.834,448 -0.122,449 2.6,450 0.474,451 -0.456,452 -0.533,454 -1.194,455 -0.366,456 0.8,457 -0.299,458 2.434,459 0.37,460 -0.514,461 -0.615,463 -1.242,464 -0.423,465 12.281,466 0.472,467 0.554,468 0.021,469 32.5,470 1.25,471 13.5,472 0.519,473 19,474 0.731,475 22.181,476 0.853,477 29.119,478 0.62,479 23.295,480 0.896,481 6.386,482 0.246,483 6.317,484 0.243,485 0.091,487 0.309,493 0.912,494 1.704,495 0.634,496 1.197,497 0.879,498 0.999,499 1.315,500 0.991,501 0.788,502 0.786,503 0.861,504 0.816,505 1.166,506 1.088,507 0.942,508 0.832,509 1.007,510 0.896,511 0.641,512 1.119,513 0.902,514 1.065,515 0.793,516 1.036,517 0.787,518 1.021,519 0.939,520 0.869,521 0.86,522 0.846,523 0.805,524 1.109,525 0.838,526 1.062,527 0.653,528 1.044,529 0.794,530 1.193,531 0.987,532 1.187,533 0.841,534 1.243,535 0.894,536 1.039,537 1.422,538 1.393,539 1.036,540 1.308,541 4.5,542 0.05,543 2.667,544 1.375,545 0.969,546 1.222,547 0.649,548 0.241,549 0.258,550 0.179,551 7469,552 21461,553 2.148,554 44.7,556 18,558 1,559 2,564 1.7,565 2.053,566 3.107,567 0.365,568 1,569 1,573 81.83,574 1.741,575 3.437,576 4.065,577 4.193,578 4.448,579 4.661,580 2.422,581 3.777,582 4.671,583 3.252,584 1056.84,585 8.144,586 13030,588 1,590 1,591 261.066,592 1.239,593 4.65,594 0.155,595 0.007,596 0.067,597 0.034,598 0.025,599 0.031,600 0.016,601 0.006,602 0.008,603 0.01,604 0.36,605 0.5,606 1,607 0.465,608 124.601,609 -0.089,610 -0.408,611 0.042,612 -0.166,613 -0.072,614 -0.043,615 -0.151,616 0.136,617 0.011,618 0.151,619 0.026,620 0.092,621 -0.163,622 -0.028,623 -0.037,624 0.128,625 -0.108,626 0.052,627 0.091,628 -0.05,629 0.052,630 -0.084,631 0.102,632 -0.054,633 0.032,634 0.01,635 0.043,636 0.107,637 -0.003,638 0.134,639 0.041,640 0.078,641 -0.02,642 -0.101,643 0.074,644 -0.109,645 -0.017,646 -0.06,647 -0.139,648 -0.166,649 -0.092,650 -0.257,651 -0.012,652 -0.154,653 -0.171,654 -0.296,655 -0.056,656 -0.243,657 1.283,658 2.282,659 0.923,660 20.911,661 1.014,662 1.142,663 2.311,664 5.342,665 0.657,666 3.401,667 3.714,668 3.989,669 4.263,670 4.533,671 4.615,672 4.787,673 4.934,674 5.043,675 5.081,676 5.523,677 0.63,678 376.89,679 3.401,680 4.934,681 5.784,682 6.658,683 7.526,684 8.408,685 9.285,686 10.172,687 11.053,688 11.944,689 12.8,693 1,695 2,699 3,704 3,705 3,709 6,711 12,722 1,726 2,730 1,731 47,733 12,735 29,737 50,738 17,739 9,746 4,747 4,748 1,761 9,762 8,777 1,778 1,781 21,782 8,783 2,784 9,785 1,790 6,794 1,795 2,805 1,806 1,812 4,839 2,840 4,845 1,848 26,849 1,854 8,856 2,859 2,869 1,870 4.3,874 2,877 12.667,878 8.31,879 5.694,880 2.811,881 2.215,882 1.303,883 0.989,884 5.405,885 9.514,886 3.584,887 4.127,888 4.673,889 5.24,890 5.804,891 6.102,892 6.49,893 6.863,894 7.16,895 7.417,896 0.833,897 41,898 9.599,900 4.058,901 7.658,902 18.509,904 15.17,905 2.158,906 56.111,910 223.651,911 70.79,912 89.502,913 39.149,914 22,917 70.79,918 284.799,919 89.502,921 26.792,922 51.85,923 84.127,924 24.739,925 6.555,926 211.88,927 39.149,928 223.651,929 160.293,930 22,931 39.149,933 223.651,935 22,937 40.496,938 69.44,939 89.505,941 223.651,942 111.502,943 109.939,946 223.651,947 42.79,948 34.249,950 144.402,951 223.651,952 111.502,953 109.939,955 0.576,956 0.334,957 0.186,958 0.105,959 20,960 8,961 0.06,962 3,964 1,965 3.766,966 227.404,968 24,969 114.211,974 17.737,975 7.923,976 4.04,978 111.502,979 5.252,980 13.71,984 3.937,986 32.897,987 445.092,988 35,999 47.658,1000 53.674,1001 0.313,1002 0.619,1003 0.732,1004 0.755,1005 0.801,1006 0.839,1007 4.828,1008 1.258,1009 5.753,1010 4.065,1011 4.394,1012 4.812,1013 1.771,1014 6.547,1015 4.22,1016 5.993,1017 1.076,1018 7.295,1019 3.137,1020 3.892,1021 4.543,1022 0.57,1023 7.391,1024 3.628,1025 7.28,1026 1,1027 8.939,1028 2.658,1029 5.964,1030 6.918,1031 1.413,1032 10.508,1033 5.645,1034 8.601,1035 1,1036 10.645,1037 2.509,1038 6.293,1039 7.479,1040 0.479,1041 12.191,1042 5.896,1043 9.958,1044 1,1045 12.391,1046 2.136,1047 7.816,1048 9.342,1049 1.15,1050 14.798,1051 7.363,1052 11.339,1054 14.163,1055 2.136,1056 8.545,1057 10.297,1058 0.346,1059 16.824,1060 8.019,1061 12.739,1062 -0.456,1063 15.954,1065 9.828,1066 11.933,1067 0.93,1068 19.242,1069 9.243,1070 3.113,1071 -0.514,1072 17.759,1073 -1.194,1074 10.752,1075 13.093,1076 0.237,1077 21.417,1078 10.099,1079 2.852,1080 10.285,1081 19.574,1082 -1.242,1083 11.93,1084 14.617,1085 0.742,1086 23.763,1087 11.217,1088 2.684,1089 9.268,1090 21.397,1091 4.141,1092 12.949,1093 15.887,1094 0.158,1095 26.006,1096 12.172,1097 2.299,1098 8.629,1099 23.226,1100 3.714,1101 14.083,1102 17.355,1103 0.583,1104 28.325,1105 13.247,1106 1.958,1107 6.531,1108 25.059,1109 2.972,1110 15.15,1111 18.686,1112 0.104,1113 30.602,1114 14.252,1115 1.697,1116 5.267,1117 26.896,1118 2.955,1119 16.268,1120 20.125,1121 0.452,1122 32.912,1123 15.311,1124 1.671,1125 4.408,1126 28.737,1127 2.362,1128 17.359,1129 21.491,1130 0.068,1131 35.206,1132 16.342,1133 7084,1134 12133,1135 19.879,1136 30.892,1137 43.361,1138 44.23,1139 43.839,1140 43.38,1141 43.217,1142 52.249,1143 6.64,1144 122.055,1145 39.287,1146 5.455,1147 5.296,1148 6.324,1149 5.158,1150 5.113,1151 7.141,1152 1.72,1153 17.162,1154 4.876,1155 9.154,1156 1.495,1157 1.525,1158 1.512,1159 1.496,1160 1.49,1161 1.802,1162 0.229,1163 4.209,1164 1.355,1165 4.007,1166 4.052,1167 4.055,1168 3.88,1169 5.203,1170 3.894,1171 3.812,1172 3.86,1173 3.828,1174 3.638,1175 4.969,1176 3.659,1177 3.745,1178 3.803,1179 3.626,1180 3.519,1181 4.752,1182 3.535,1183 3.558,1184 3.609,1185 3.474,1186 3.364,1187 4.614,1188 3.379,1189 3.111,1190 3.206,1191 3.304,1192 2.941,1193 4.584,1194 2.91,1195 3.111,1196 3.206,1197 2.916,1198 2.941,1199 4.332,1200 2.91,1201 3.052,1202 3.139,1203 2.866,1204 2.829,1205 3.977,1206 2.85,1207 2.937,1208 2.998,1209 2.866,1210 2.652,1211 3.838,1212 2.689,1213 0.154,1214 0.114,1215 0.225,1216 0.14,1217 0.107,1218 4.455,1219 0.143,1220 3.296,1221 0.03,1222 6.522,1223 0.355,1224 4.055,1225 0.101,1226 3.113,1227 4.141,1228 0.86,1229 10.285,1230 2.928,1231 1.913,1232 1.88,1233 1.988,1234 2.078,1235 1.22,1236 2.055,1237 1.742,1238 1.692,1239 1.904,1240 1.933,1241 1.188,1242 1.926,1243 1.68,1244 1.621,1245 1.877,1246 1.933,1247 1.01,1248 1.923,1249 1.484,1250 1.436,1251 1.623,1252 1.704,1253 0.825,1254 1.685,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.659,1266 1.429,1267 0.97,1268 0.899,1269 1.211,1270 1.274,1271 0.269,1272 1.267,1273 0.823,1274 0.757,1275 1.105,1276 1.157,1277 0.236,1278 1.138,1279 4.078,1281 5.389,1283 6.909,1285 8.518,1287 10.172,1290 6.393,1293 5.727,1295 5.848,1297 10.904,1300 4.34,1305 29.6,1306 81.83,1307 161.556,1308 191.066,1309 197.066,1310 209.066,1311 219.066,1312 35.312,1313 7.3,1314 89.63,1315 89.63,1316 24,1317 12.475,1318 3.7,1319 2.807,1320 37.615,1321 86,1322 86,1323 0.216,1324 183.793,1325 314.37,1326 440.216,1327 12789,1328 2.1,1329 17.933,1330 0.69,1331 0.583,1332 18.433,1333 15.153,1334 12.704,1335 0.438,1336 0.312,1337 8.502,1338 11.697,1339 8.362,1340 6.785,1341 12.992,1342 9.042,1343 11.343,1344 0.284,1345 0.165,1346 11.714,1347 6.606,1348 9.553,1349 0.18,1350 0.09,1351 9.885,1352 4.793,1353 8.175,1354 0.117,1355 0.047,1356 8.596,1357 3.311,1358 6.713,1359 0.073,1360 0.024,1361 6.899,1362 2.178,1363 0.327,1364 84.106,1365 0.224,1366 24.591,1367 0.634,1368 138,1369 431.212,1370 171.238,1371 434.43,1372 586.46,1373 410,1374 162,1375 405.713,1376 192.07,1377 415.223,1378 614.25,1379 391,1380 7.469}
{0 CHEMBL2017973,1 1.649,2 8.778,3 1.279,4 1.636,5 103.347,6 7.655,7 0.4,8 4.001,9 4.127,10 3.596,11 3.443,12 5.116,13 3.462,14 4.569,15 4.756,16 3.93,17 3.826,18 5.611,19 3.825,20 4.779,21 4.997,22 3.982,23 3.999,24 5.771,25 3.957,26 4.776,27 5.013,28 3.952,29 3.991,30 5.824,31 3.929,32 4.768,33 5.012,34 3.994,35 3.955,36 5.897,37 3.912,38 4.677,39 4.875,40 3.991,41 3.956,42 5.741,43 3.929,44 4.79,45 4.988,46 3.996,47 4.072,48 5.808,49 4.005,50 5.005,51 5.255,52 3.883,53 4.13,54 5.9,55 3.996,56 0.076,57 0.772,58 9.668,59 3.669,60 12.091,61 5.092,62 0.479,63 1.182,64 20.419,65 6.14,66 29.625,67 8.502,68 0.566,69 1.415,70 26.118,71 7.475,72 35.655,73 11.276,74 0.385,75 1.445,76 25.552,77 7.773,78 41.504,79 12.151,80 0.549,81 1.396,82 26.205,83 7.353,84 63.129,85 11.695,86 0.392,87 1.374,88 21.841,89 6.698,90 31.199,91 9.92,92 0.484,93 1.476,94 24.507,95 8.552,96 33.342,97 12.309,98 0.423,99 1.554,100 33.652,101 12.054,102 49.287,103 17.616,104 6,105 41,106 0.28,107 0.597,108 0.701,109 0.723,110 0.765,111 0.801,112 3.341,113 0.895,114 -2.72,115 -2.74,116 -2.66,119 37.5,125 8,142 2,143 2,145 1,146 1,147 2,150 1,158 1,163 1,164 1,165 1,172 2,174 4,175 7,177 1,178 1,180 1,183 2,185 1,186 2,187 4,192 1,195 1,197 1,198 3,199 6,204 1,207 1,209 1,211 5,212 5,214 1,215 1,223 3,224 3,226 1,227 1,229 1,234 1,236 6,237 3,250 2,252 3,253 3,262 2,263 2,275 1094,276 18.731,277 18.731,278 18.731,279 18.731,280 18.731,281 17.279,282 27.396,283 11.263,284 19.478,285 14.801,286 14.801,287 14.801,288 14.801,289 14.801,290 12.419,291 38.542,292 5.32,293 15.98,294 3.936,295 2.073,296 1.458,297 1.333,298 1.083,299 0.875,300 4.042,304 1,305 1,306 514,307 2.236,311 336.307,318 1.152,319 28.158,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 59.5,331 237,332 4.482,333 4.071,334 6.558,335 4.084,336 3.123,337 4.173,338 2.035,339 10.432,340 3.021,341 4.192,342 3.251,343 6.235,344 3.812,345 2.87,346 3.748,347 0.86,348 9.375,349 2.683,350 3.795,351 3.013,352 6.016,353 3.596,354 2.684,355 2.972,356 0.86,357 8.629,358 2.445,359 3.62,360 2.939,361 5.32,362 3.249,363 2.303,364 2.956,365 0.8,366 6.686,367 2.177,368 3.517,369 2.456,370 4.842,371 2.917,372 1.985,373 2.559,374 0.8,375 5.393,376 1.849,377 3.086,378 2.285,379 4.547,380 2.69,381 1.759,382 2.098,384 4.619,385 1.63,386 2.838,387 2.25,388 4.283,389 2.587,390 1.697,391 1.879,393 4.065,394 1.505,395 2.787,396 1.939,397 4.007,398 2.203,399 1.28,400 1.746,402 3.226,403 1.177,404 2.617,405 1.579,406 3.508,407 1.965,408 1.077,409 1.217,411 2.658,412 0.949,413 2.232,414 1.288,415 3.472,416 1.952,417 1,418 1.132,420 2.509,421 0.946,422 2.166,423 1.256,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 1.256,432 3.247,433 1.884,434 1,435 1,436 2.136,437 0.879,438 2,439 1.175,440 2.95,441 1.41,442 0.476,443 0.922,445 0.775,446 0.444,447 1.273,448 0.186,449 2.6,450 0.802,451 -0.134,452 -0.18,454 -0.294,455 -0.125,456 0.834,457 -0.201,458 2.587,459 0.474,460 -0.456,461 -0.533,463 -1.194,464 -0.423,465 12.467,466 0.462,467 0.516,468 0.019,469 36,470 1.333,471 16.5,472 0.611,473 19.5,474 0.722,475 21.325,476 0.79,477 29.533,478 0.615,479 26.739,480 0.99,481 7.029,482 0.26,483 6.213,484 0.23,485 0.064,487 0.305,493 0.952,494 1.636,495 0.751,496 1.278,497 0.696,498 1.016,499 1.385,500 0.949,501 0.96,502 0.842,503 0.672,504 0.836,505 1.16,506 1.064,507 1.011,508 0.87,509 0.776,510 0.907,511 0.688,512 1.184,513 0.926,514 1.078,515 0.847,516 1.037,517 0.672,518 0.984,519 0.799,520 0.845,521 0.732,522 0.83,523 0.974,524 1.148,525 1.039,526 1.077,527 0.958,528 1.055,529 0.738,530 1.076,531 1.13,532 1.237,533 0.673,534 1.249,535 0.632,536 1.106,537 1.013,538 1.363,539 0.729,540 1.288,541 4.5,542 0.074,543 2.667,544 1.375,545 1.089,546 1.285,547 0.669,548 0.269,549 0.258,550 0.199,551 8126,552 22872,553 2.142,554 43.8,556 18,558 1,559 2,564 1.711,565 2.051,566 3.124,567 0.341,568 1,569 1,573 79.129,574 1.649,575 3.512,576 4.127,577 4.252,578 4.502,579 4.71,580 2.417,581 3.69,582 4.726,583 3.267,584 1146.67,585 8.258,586 14551,588 1,591 268.078,592 1.218,593 4.706,594 0.15,595 0.008,596 0.065,597 0.032,598 0.027,599 0.03,600 0.016,601 0.006,602 0.007,603 0.009,604 0.35,605 0.5,606 1,607 0.63,608 130.983,609 -0.087,610 -0.381,611 0.07,612 -0.18,613 0.007,614 -0.043,615 -0.15,616 0.147,617 -0.01,618 0.144,619 0.005,620 0.091,621 -0.152,622 -0.018,623 -0.059,624 0.118,625 -0.062,626 0.054,627 -0.005,628 -0.12,629 -0.003,630 -0.085,631 -0.009,632 -0.049,633 0.14,634 0.056,635 0.158,636 0.116,637 0.205,638 0.139,639 -0.108,640 0.009,641 -0.141,642 -0.091,643 -0.075,644 -0.115,645 0.053,646 0.047,647 -0.244,648 -0.2,649 0.021,650 -0.266,651 0.089,652 -0.183,653 -0.063,654 -0.297,655 0.019,656 -0.225,657 1.355,658 3.51,659 0.889,660 22.052,661 1.012,662 1.142,663 1.492,664 2.227,665 0.652,666 3.434,667 3.738,668 4.025,669 4.304,670 4.585,671 4.654,672 4.844,673 4.984,674 5.106,675 5.142,676 5.619,677 0.631,678 367.46,679 3.434,680 4.963,681 5.814,682 6.688,683 7.56,684 8.443,685 9.323,686 10.211,687 11.095,688 11.986,689 14.6,693 1,695 2,698 1,699 3,704 3,705 3,709 6,711 12,713 1,722 1,726 2,731 48,733 13,735 30,737 51,738 18,739 9,746 4,747 4,760 1,761 9,762 8,777 1,778 1,781 21,782 9,783 2,784 9,790 7,794 1,795 2,805 1,806 1,812 4,839 2,840 4,848 27,849 1,854 8,856 2,859 2,861 1,866 1,868 1,870 4.2,874 2,877 13.167,878 8.617,879 6.028,880 2.888,881 2.482,882 1.336,883 0.983,884 5.351,885 9.862,886 3.664,887 4.174,888 4.754,889 5.332,890 5.919,891 6.209,892 6.646,893 6.971,894 7.32,895 7.549,896 0.833,897 43,898 9.955,900 4.205,901 7.741,902 19.057,904 15.536,905 2.241,906 60.5,910 223.651,911 87.077,912 120.562,914 22,917 87.077,918 245.651,919 120.562,921 26.792,922 51.85,923 100.729,924 55.483,925 6.555,926 211.88,928 223.651,929 207.639,930 22,933 223.651,935 22,937 71.555,938 85.727,939 50.357,941 223.651,942 142.562,943 87.077,946 223.651,947 42.475,948 34.249,949 16.602,950 136.313,951 223.651,952 142.562,953 87.077,955 0.57,956 0.337,957 0.191,958 0.111,959 20,960 8,961 0.059,962 3,964 1,965 3.827,966 239.792,968 24,969 120.382,974 17.934,975 8.055,976 3.959,978 142.562,979 5.075,980 13.658,984 3.534,986 32.897,987 453.289,988 38,999 48.552,1000 54.813,1001 0.295,1002 0.629,1003 0.739,1004 0.761,1005 0.806,1006 0.843,1007 4.913,1008 1.28,1009 5.778,1010 4.065,1011 4.419,1012 4.86,1013 2.65,1014 6.575,1015 4.28,1016 6.086,1017 1.077,1018 7.321,1019 3.226,1020 3.892,1021 4.543,1022 0.57,1023 7.434,1024 3.719,1025 7.374,1026 1,1027 8.966,1028 2.658,1029 5.989,1030 6.97,1031 3.648,1032 10.552,1033 5.738,1034 8.695,1035 1,1036 10.673,1037 2.509,1038 6.312,1039 7.516,1040 0.479,1041 12.255,1042 6.039,1043 10.052,1044 1,1045 12.421,1046 2.136,1047 7.843,1048 9.399,1049 4.977,1050 14.863,1051 7.499,1052 11.433,1053 0.476,1054 14.197,1055 2.136,1056 8.571,1057 10.355,1058 0.346,1059 16.909,1060 8.21,1061 12.832,1062 -0.134,1063 15.991,1064 0.775,1065 9.858,1066 11.998,1067 6.38,1068 19.333,1069 9.437,1070 3.123,1071 -0.456,1072 17.799,1073 -0.294,1074 10.785,1075 13.167,1076 0.237,1077 21.527,1078 10.344,1079 2.87,1080 10.432,1081 19.617,1082 -1.194,1083 11.966,1084 14.694,1085 7.797,1086 23.882,1087 11.476,1088 2.684,1089 9.375,1090 21.444,1091 4.173,1092 12.989,1093 15.976,1094 0.158,1095 26.144,1096 12.477,1097 2.303,1098 8.629,1099 23.276,1100 3.748,1101 14.127,1102 17.447,1103 9.217,1104 28.474,1105 13.575,1106 1.985,1107 6.686,1108 25.114,1109 2.972,1110 15.197,1111 18.79,1112 0.104,1113 30.768,1114 14.621,1115 1.759,1116 5.393,1117 26.955,1118 2.956,1119 16.318,1120 20.233,1121 10.638,1122 33.092,1123 15.708,1124 1.697,1125 4.619,1126 28.799,1127 2.559,1128 17.413,1129 21.61,1130 0.068,1131 35.402,1132 16.777,1133 7745,1134 13109,1135 20.572,1136 31.279,1137 45.744,1138 47.992,1139 45.395,1140 44.511,1141 44.51,1142 54.806,1143 10.709,1144 125.277,1145 41.299,1146 5.482,1147 6.071,1148 6.36,1149 5.187,1150 5.123,1151 7.173,1152 4.069,1153 17.364,1154 4.969,1155 9.524,1156 1.525,1157 1.6,1158 1.513,1159 1.484,1160 1.484,1161 1.827,1162 0.357,1163 4.176,1164 1.377,1165 4.016,1166 4.06,1167 3.984,1168 3.891,1169 6.82,1170 3.908,1171 3.826,1172 3.876,1173 3.77,1174 3.648,1175 5.169,1176 3.672,1177 3.745,1178 3.803,1179 3.626,1180 3.519,1181 4.964,1182 3.535,1183 3.561,1184 3.611,1185 3.466,1186 3.367,1187 4.614,1188 3.383,1189 3.186,1190 3.263,1191 3.156,1192 2.946,1193 4.598,1194 2.992,1195 3.111,1196 3.206,1197 2.916,1198 2.941,1199 4.485,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.978,1206 2.91,1207 3.002,1208 3.075,1209 2.866,1210 2.809,1211 3.85,1212 2.825,1213 0.149,1214 0.136,1215 0.219,1216 0.136,1217 0.104,1218 4.482,1219 0.139,1220 4.071,1221 0.068,1222 6.558,1223 0.348,1224 4.084,1225 0.101,1226 3.123,1227 4.173,1228 2.035,1229 10.432,1230 3.021,1231 1.928,1232 1.896,1233 1.999,1234 2.084,1235 1.221,1236 2.061,1237 1.756,1238 1.705,1239 1.904,1240 1.952,1241 1.188,1242 1.939,1243 1.68,1244 1.621,1245 1.902,1246 1.933,1247 1.023,1248 1.926,1249 1.489,1250 1.441,1251 1.63,1252 1.707,1253 0.825,1254 1.688,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.665,1266 1.429,1267 1.066,1268 0.998,1269 1.237,1270 1.354,1271 0.269,1272 1.324,1273 0.938,1274 0.877,1275 1.113,1276 1.184,1277 0.236,1278 1.165,1279 4.111,1281 5.416,1283 6.934,1285 8.544,1287 10.201,1293 5.736,1295 5.626,1297 10.895,1300 4.281,1303 9.51,1304 2.185,1305 30.267,1306 79.129,1307 168.568,1308 198.078,1309 204.078,1310 216.078,1311 226.078,1312 39.424,1313 7.381,1314 113.42,1315 113.42,1316 24,1317 12.516,1318 3.807,1319 3.17,1320 39.73,1321 90,1322 87,1323 0.216,1324 185.992,1325 322.18,1326 445.581,1327 14166,1329 18.64,1330 0.69,1331 0.554,1332 18.64,1333 14.966,1334 13.242,1335 0.441,1336 0.298,1337 8.75,1338 12.483,1339 8.635,1340 7.033,1341 13.242,1342 8.949,1343 11.534,1344 0.281,1345 0.156,1346 11.534,1347 6.377,1348 9.883,1349 0.18,1350 0.085,1351 9.883,1352 4.651,1353 8.398,1354 0.115,1355 0.044,1356 8.398,1357 3.187,1358 7.199,1359 0.074,1360 0.022,1361 7.199,1362 2.17,1363 0.327,1364 84.512,1365 0.22,1366 25.35,1367 0.634,1368 142,1369 448.654,1370 160.413,1371 426.178,1372 581.72,1373 402,1374 167,1375 422.259,1376 186.026,1377 424.424,1378 623.07,1379 399,1380 7.167}
{0 CHEMBL2017974,1 1.853,2 8.862,3 2.342,4 5.486,5 103.583,6 8.209,7 0.375,8 4.058,9 4.179,10 3.69,11 3.453,12 5.191,13 3.498,14 4.663,15 4.843,16 4.127,17 3.839,18 6.196,19 3.876,20 4.832,21 5.041,22 4.107,23 4.011,24 5.937,25 4.001,26 4.877,27 5.102,28 4.144,29 4.012,30 6.077,31 4.002,32 4.906,33 5.139,34 4.258,35 3.975,36 6.38,37 3.992,38 4.811,39 5.009,40 4.13,41 3.976,42 6.032,43 3.992,44 4.878,45 5.073,46 4.204,47 4.082,48 6.112,49 4.053,50 5.087,51 5.322,52 4.141,53 4.151,54 6.122,55 4.08,56 0.243,57 0.957,58 9.047,59 4.027,60 30.59,61 5.093,62 1.241,63 1.755,64 22.26,65 6.709,66 154.519,67 8.509,68 0.903,69 1.686,70 26.46,71 7.94,72 59.225,73 11.251,74 0.866,75 1.884,76 27.922,77 8.798,78 83.778,79 12.061,80 1.332,81 1.9,82 30.715,83 7.698,84 147.623,85 11.626,86 0.986,87 1.778,88 25.466,89 8.031,90 93.325,91 9.821,92 1.096,93 1.793,94 25.754,95 8.586,96 57.854,97 12.321,98 0.974,99 2.027,100 35.87,101 13.07,102 109.415,103 17.504,104 18,105 46,106 0.315,107 0.605,108 0.705,109 0.726,110 0.766,111 0.8,112 3.409,113 0.871,114 -3.89,115 -3.84,116 -3.65,119 36,125 8,132 1,142 2,143 2,145 1,146 1,147 2,150 1,163 1,164 1,165 1,172 2,174 4,175 6,177 1,178 1,180 1,183 2,185 1,186 2,187 2,192 1,195 1,197 1,198 3,199 6,204 1,207 1,209 1,211 3,212 4,223 3,224 3,226 1,227 1,229 1,234 1,236 3,237 3,250 2,252 3,253 3,262 2,263 2,275 1342,276 19.333,277 19.333,278 19.333,279 19.333,280 19.333,281 18.011,282 28.527,283 11.44,284 20.321,285 15.858,286 15.858,287 15.858,288 15.858,289 15.858,290 13.718,291 40.794,292 5.507,293 17.499,294 3.791,295 2.085,296 1.495,297 1.375,298 1.135,299 0.935,300 4.103,304 1,305 1,306 552,307 3.162,311 362.944,318 1.137,319 52.213,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 67.5,331 257,332 4.62,333 4.471,334 7.289,335 4.311,336 3.412,337 4.22,338 3.825,339 12.465,340 3.127,341 4.288,342 3.247,343 6.372,344 3.936,345 3.026,346 3.8,347 0.86,348 9.848,349 2.744,350 3.825,351 3.013,352 6.045,353 3.596,354 2.684,355 3.043,356 0.86,357 8.629,358 2.445,359 3.795,360 2.863,361 6.016,362 3.52,363 2.617,364 2.972,365 0.8,366 8.62,367 2.317,368 3.616,369 2.445,370 5.134,371 3.217,372 2.282,373 2.946,374 0.8,375 6.3,376 2.114,377 3.091,378 2.283,379 4.76,380 2.828,381 1.915,382 2.173,384 5.14,385 1.74,386 2.838,387 2.25,388 4.436,389 2.587,390 1.697,391 1.879,393 4.073,394 1.505,395 2.754,396 1.783,397 4.283,398 2.336,399 1.424,400 1.829,402 4.065,403 1.283,404 2.573,405 1.459,406 3.938,407 2.073,408 1.159,409 1.604,411 2.981,412 1.048,413 2.232,414 1.288,415 3.508,416 1.965,417 1.071,418 1.214,420 2.655,421 0.949,422 2.166,423 1.256,424 3.472,425 1.952,426 1,427 1.132,428 2.509,429 0.946,430 2,431 1.256,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.156,440 3.247,441 1.884,442 1,443 1,445 2.136,446 0.879,447 1.234,448 0.51,449 2.955,450 0.846,451 -0.089,452 -0.112,454 -0.225,455 -0.083,456 0.834,457 0.51,458 2.604,459 0.474,460 -0.456,461 -0.533,463 -1.194,464 -0.423,465 12.924,466 0.446,467 0.843,468 0.029,469 34.5,470 1.19,471 13.5,472 0.466,473 21,474 0.724,475 25.882,476 0.892,477 33.876,478 0.678,479 29.779,480 1.027,481 6.993,482 0.241,483 6.922,484 0.239,485 0.097,486 0.039,487 0.294,490 3,493 0.714,494 1.304,495 0.663,496 1.325,497 0.627,498 1.049,499 0.782,500 0.74,501 0.811,502 0.847,503 0.399,504 0.843,505 0.785,506 0.938,507 0.881,508 0.936,509 0.532,510 0.941,511 0.809,512 1.185,513 0.875,514 1.15,515 0.857,516 1.057,517 0.715,518 0.87,519 0.755,520 0.847,521 0.756,522 0.821,523 1.173,524 1.175,525 1.117,526 1.07,527 1.17,528 1.054,529 0.493,530 0.73,531 0.959,532 1.174,533 0.563,534 1.246,535 0.657,536 1.108,537 0.883,538 1.435,539 0.673,540 1.315,541 6.5,542 0.124,543 3.333,544 1.875,545 1.667,546 1.521,547 0.834,548 0.575,549 0.455,550 0.296,551 9452,552 32222,553 2.082,554 42,556 18,558 1,559 2,564 1.73,565 1.944,566 3.119,567 0.364,568 1,569 1,573 92.631,574 1.853,575 3.559,576 4.149,577 4.269,578 4.509,579 4.709,580 2.388,581 3.797,582 4.831,583 3.283,584 1332.83,585 8.473,586 17724.5,588 1,590 1,591 282.193,592 1.548,593 4.781,594 0.203,595 0.01,596 0.072,597 0.04,598 0.035,599 0.03,600 0.018,601 0.012,602 0.011,603 0.01,604 0.44,605 0.5,606 1,607 0.729,608 143.621,609 -0.084,610 -0.261,611 0.046,612 -0.177,613 -0.09,614 -0.044,615 0.173,616 0.261,617 0.079,618 0.151,619 0.404,620 0.09,621 -0.092,622 -0.111,623 -0.018,624 0.055,625 -0.001,626 0.051,627 -0.057,628 -0.208,629 0.019,630 -0.137,631 -0.053,632 -0.052,633 0.201,634 0.149,635 0.203,636 0.103,637 0.22,638 0.132,639 -0.222,640 -0.034,641 -0.222,642 -0.046,643 -0.169,644 -0.105,645 0.22,646 0.239,647 -0.129,648 -0.146,649 0.084,650 -0.264,651 0.057,652 -0.257,653 0.037,654 -0.371,655 0.023,656 -0.23,657 5.838,658 5.644,659 0.828,660 23.971,661 1.035,662 1.163,663 2.658,664 7.064,665 0.632,666 3.497,667 3.85,668 4.094,669 4.382,670 4.682,671 4.727,672 4.949,673 5.075,674 5.22,675 5.252,676 5.752,677 0.629,678 410.45,679 3.497,680 5.056,681 5.905,682 6.801,683 7.676,684 8.576,685 9.462,686 10.364,687 11.257,688 12.16,689 12,693 1,695 2,699 3,704 3,705 3,709 6,711 12,722 1,726 2,731 50,733 12,735 32,737 53,738 18,739 9,746 4,747 4,752 1,757 1,761 9,762 9,778 1,779 3,781 21,782 11,783 2,784 11,790 6,794 1,795 2,805 1,806 1,812 4,839 2,840 4,846 3,848 29,849 1,854 8,856 2,859 2,860 1,869 3,870 4,874 2,877 14.917,878 8.845,879 6.194,880 2.945,881 2.335,882 1.31,883 0.986,884 5.769,885 9.863,886 3.664,887 4.22,888 4.754,889 5.332,890 5.919,891 6.209,892 6.646,893 6.971,894 7.32,895 7.549,896 0.833,897 47,898 11.316,900 5.393,901 8.164,902 19.971,904 16.429,905 2.664,906 77.25,909 1,910 223.651,911 78.235,912 89.502,914 22,915 44.88,917 78.235,918 245.651,919 134.383,921 26.792,922 51.85,923 84.127,924 69.304,925 6.555,926 211.88,927 7.76,928 223.651,929 167.737,930 66.88,933 223.651,934 44.88,935 22,937 48.255,938 69.125,939 50.357,941 268.531,942 111.502,943 78.235,946 231.41,947 42.475,948 34.249,950 150.134,951 223.651,952 156.383,953 78.235,955 0.588,956 0.33,957 0.181,958 0.111,959 23,960 10,961 0.057,962 3,964 1,965 3.881,966 268.853,968 24,969 128.127,974 20.143,975 8.306,976 4.552,978 156.383,979 3.518,980 12.93,984 -0.107,986 32.897,987 458.268,988 38,999 51.756,1000 58.165,1001 0.328,1002 0.631,1003 0.735,1004 0.756,1005 0.799,1006 0.834,1007 4.942,1008 1.424,1009 5.927,1010 4.073,1011 4.533,1012 4.905,1013 3.247,1014 6.783,1015 4.351,1016 6.139,1017 1.159,1018 7.517,1019 4.065,1020 4.29,1021 4.771,1022 3.919,1023 7.941,1024 3.954,1025 7.456,1026 1.071,1027 9.221,1028 2.981,1029 6.209,1030 7.03,1031 5.434,1032 10.996,1033 5.852,1034 8.808,1035 1,1036 10.996,1037 2.655,1038 6.77,1039 7.681,1040 6.69,1041 12.969,1042 6.265,1043 10.195,1044 1,1045 12.817,1046 2.509,1047 8.216,1048 9.482,1049 8.058,1050 15.621,1051 7.674,1052 11.607,1053 1,1054 14.67,1055 2.136,1056 9.128,1057 10.499,1058 9.389,1059 17.909,1060 8.46,1061 13.037,1062 -0.089,1063 16.546,1064 2.136,1065 10.402,1066 12.103,1067 10.734,1068 20.448,1069 9.675,1070 3.412,1071 -0.456,1072 18.439,1073 -0.225,1074 11.473,1075 13.309,1076 12.074,1077 22.865,1078 10.639,1079 3.026,1080 12.465,1081 20.347,1082 -1.194,1083 12.688,1084 14.82,1085 13.416,1086 25.377,1087 11.782,1088 2.684,1089 9.848,1090 22.266,1091 4.22,1092 13.831,1093 16.126,1094 14.758,1095 27.85,1096 12.829,1097 2.617,1098 8.629,1099 24.195,1100 3.8,1101 15.031,1102 17.593,1103 16.1,1104 30.36,1105 13.95,1106 2.282,1107 8.62,1108 26.132,1109 3.043,1110 16.208,1111 18.954,1112 17.441,1113 32.857,1114 15.037,1115 1.915,1116 6.3,1117 28.075,1118 2.972,1119 17.409,1120 20.4,1121 18.783,1122 35.37,1123 16.155,1124 1.697,1125 5.14,1126 30.025,1127 2.946,1128 18.604,1129 21.791,1130 20.124,1131 37.88,1132 17.262,1133 9091,1134 16981,1135 21.266,1136 31.608,1137 48.814,1138 48.843,1139 48.901,1140 48.752,1141 48.575,1142 57.628,1143 14.291,1144 143.113,1145 44.084,1146 5.62,1147 6.471,1148 7.091,1149 5.414,1150 5.412,1151 7.22,1152 5.335,1153 20.222,1154 5.076,1155 13.687,1156 1.525,1157 1.526,1158 1.528,1159 1.523,1160 1.518,1161 1.801,1162 0.447,1163 4.472,1164 1.378,1165 4.023,1166 4.066,1167 3.997,1168 3.891,1169 8.513,1170 3.91,1171 3.836,1172 3.886,1173 3.787,1174 3.647,1175 7.999,1176 3.673,1177 3.745,1178 3.803,1179 3.626,1180 3.519,1181 7.999,1182 3.535,1183 3.564,1184 3.614,1185 3.472,1186 3.367,1187 5.17,1188 3.384,1189 3.311,1190 3.374,1191 3.328,1192 2.941,1193 4.964,1194 3.007,1195 3.111,1196 3.206,1197 2.928,1198 2.941,1199 4.614,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.925,1205 4.598,1206 2.91,1207 3.018,1208 3.096,1209 2.866,1210 2.806,1211 4.484,1212 2.826,1213 0.144,1214 0.14,1215 0.228,1216 0.135,1217 0.107,1218 4.62,1219 0.132,1220 4.471,1221 0.12,1222 7.289,1223 0.39,1224 4.311,1225 0.098,1226 3.412,1227 4.22,1228 3.825,1229 12.465,1230 3.127,1231 1.928,1232 1.896,1233 1.999,1234 2.088,1235 1.222,1236 2.063,1237 1.755,1238 1.704,1239 1.904,1240 1.963,1241 1.188,1242 1.944,1243 1.68,1244 1.621,1245 1.901,1246 1.933,1247 1.057,1248 1.926,1249 1.489,1250 1.441,1251 1.629,1252 1.71,1253 0.825,1254 1.689,1255 1.153,1256 1.064,1257 1.513,1258 1.463,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.678,1266 1.429,1267 1.048,1268 0.986,1269 1.231,1270 1.376,1271 0.269,1272 1.366,1273 0.932,1274 0.874,1275 1.106,1276 1.226,1277 0.237,1278 1.197,1279 4.174,1281 5.517,1283 7.059,1285 8.686,1287 10.361,1291 40.931,1293 5.508,1295 4.425,1297 10.738,1300 3.894,1301 -4.588,1305 31.449,1306 92.631,1307 177.928,1308 207.438,1309 213.438,1310 225.438,1311 235.438,1312 61.731,1313 7.527,1314 89.63,1315 89.63,1316 24,1317 12.682,1318 3.7,1319 2.807,1320 44.15,1321 98,1322 96,1323 0.218,1324 188.647,1325 334.67,1326 452.06,1327 16926,1328 6,1329 20.433,1330 0.705,1331 0.54,1332 17.933,1333 15.653,1334 13.915,1335 0.435,1336 0.29,1337 9.024,1338 12.904,1339 8.969,1340 7.245,1341 12.704,1342 9.292,1343 13.338,1344 0.29,1345 0.147,1346 11.343,1347 6.763,1348 10.333,1349 0.175,1350 0.082,1351 9.553,1352 4.836,1353 8.75,1354 0.111,1355 0.042,1356 8.175,1357 3.329,1358 7.789,1359 0.073,1360 0.021,1361 6.713,1362 2.287,1363 0.329,1364 90.448,1365 0.217,1366 26.786,1367 0.643,1368 156,1369 681.342,1370 190.736,1371 560.774,1372 735.08,1373 524,1374 183,1375 512.85,1376 211.836,1377 493.335,1378 749.07,1379 463,1380 7.404}
{0 CHEMBL2017975,1 1.666,2 8.731,3 0.546,4 0.298,5 101.077,6 7.468,7 0.414,8 4.011,9 4.15,10 3.581,11 3.389,12 5.097,13 3.419,14 4.577,15 4.774,16 3.928,17 3.774,18 5.644,19 3.781,20 4.769,21 4.994,22 3.954,23 3.934,24 5.739,25 3.901,26 4.766,27 5.008,28 3.91,29 3.937,30 5.801,31 3.87,32 4.787,33 5.046,34 3.916,35 3.908,36 5.768,37 3.859,38 4.694,39 4.91,40 3.968,41 3.92,42 5.701,43 3.882,44 4.794,45 5.001,46 3.95,47 4.011,48 5.746,49 3.948,50 5.023,51 5.294,52 3.824,53 4.024,54 5.914,55 3.901,56 0.11,57 0.763,58 10.49,59 3.19,60 10.233,61 5.091,62 0.563,63 1.133,64 21.406,65 5.717,66 35.362,67 8.619,68 0.612,69 1.329,70 26.562,71 6.383,72 32.818,73 10.929,74 0.483,75 1.336,76 25.904,77 7.293,78 45.764,79 12.013,80 0.593,81 1.298,82 27.646,83 6.342,84 45.831,85 11.541,86 0.517,87 1.298,88 23.535,89 7.11,90 29.189,91 10.834,92 0.48,93 1.39,94 25.639,95 7.499,96 26.462,97 12.167,98 0.616,99 1.383,100 35.756,101 9.506,102 56.381,103 15.825,104 5,105 40,106 0.286,107 0.572,108 0.686,109 0.722,110 0.765,111 0.8,112 3.305,113 0.893,114 -2.81,115 -2.82,116 -2.73,119 33.3,125 8,142 1,143 1,145 1,146 1,147 2,150 2,163 2,164 2,165 2,174 5,175 6,177 3,178 3,180 1,183 1,185 1,186 2,198 4,199 6,201 2,202 2,203 1,204 2,206 2,209 2,210 1,211 3,212 1,223 6,226 4,227 4,229 1,234 1,236 3,237 3,252 3,253 3,262 4,265 2,266 2,275 964,276 17.861,277 17.861,278 17.861,279 17.861,280 17.861,281 16.448,282 27.234,283 10.738,284 18.691,285 14.364,286 14.364,287 14.364,288 14.364,289 14.364,290 12.171,291 39.723,292 5.162,293 15.678,294 3.919,295 2.25,296 1.583,297 1.375,298 1.125,299 0.917,300 4.005,304 1,305 1,306 495,307 2,311 322.988,318 1.157,319 26.925,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 58,331 227,332 4.455,333 3.258,334 6.522,335 4.062,336 3.113,337 4.141,338 0.86,339 10.285,340 2.965,341 4.153,342 3.013,343 6.216,344 3.782,345 2.852,346 3.714,347 0.86,348 9.268,349 2.642,350 3.795,351 2.988,352 6.016,353 3.596,354 2.684,355 2.972,356 0.8,357 8.629,358 2.445,359 3.618,360 2.458,361 5.25,362 3.218,363 2.299,364 2.955,365 0.8,366 6.531,367 2.108,368 3.192,369 2.285,370 4.804,371 2.873,372 1.958,373 2.362,375 5.267,376 1.788,377 2.947,378 2.25,379 4.487,380 2.588,381 1.697,382 2.033,384 4.408,385 1.522,386 2.838,387 1.914,388 4.283,389 2.584,390 1.671,391 1.879,393 4.065,394 1.504,395 2.655,396 1.56,397 3.93,398 2.167,399 1.258,400 1.72,402 3.137,403 1.141,404 2.232,405 1.288,406 3.508,407 1.963,408 1.076,409 1.215,411 2.658,412 0.948,413 2.166,414 1.256,415 3.472,416 1.952,417 1,418 1.132,420 2.509,421 0.946,422 2,423 1.256,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 1.171,432 3.247,433 1.884,434 1,435 1,436 2.136,437 0.879,438 1.319,439 0.105,440 2.801,441 0.925,447 0.834,448 -0.299,449 2.6,450 0.474,451 -0.456,452 -0.533,454 -1.194,455 -0.423,456 0.8,457 -0.314,458 2.434,459 0.393,460 -0.514,461 -0.615,463 -1.242,464 -0.466,465 11.867,466 0.456,467 0.554,468 0.021,469 33.5,470 1.288,471 14,472 0.538,473 19.5,474 0.75,475 20.796,476 0.8,477 29.533,478 0.615,479 24.68,480 0.949,481 6.614,482 0.254,483 6.089,484 0.234,485 0.067,487 0.32,493 1.036,494 1.796,495 0.792,496 1.347,497 1.1,498 1.049,499 1.296,500 0.942,501 0.934,502 0.876,503 0.783,504 0.856,505 1.188,506 1.181,507 1.016,508 0.919,509 0.94,510 0.932,511 0.631,512 1.13,513 0.964,514 1.162,515 0.781,516 1.125,517 0.811,518 1.059,519 0.881,520 0.86,521 0.986,522 0.857,523 0.744,524 0.931,525 0.954,526 1.078,527 0.599,528 1.058,529 0.843,530 1.346,531 1.164,532 1.375,533 0.867,534 1.329,535 0.864,536 1.123,537 1.101,538 1.301,539 1.096,540 1.252,541 4.5,542 0.05,543 2.667,544 1.375,545 0.969,546 1.222,547 0.649,548 0.241,549 0.258,550 0.179,551 7469,552 20467,553 2.148,554 45.8,556 17,558 1,559 4,564 1.7,565 2.053,566 3.107,567 1.849,569 1,573 79.971,574 1.666,575 3.335,576 4.002,577 4.21,578 4.46,579 4.668,580 2.422,581 3.777,582 4.671,583 3.252,584 1056.84,585 8.144,586 13030,588 1,591 268.078,592 1.239,593 4.65,594 0.155,595 0.007,596 0.067,597 0.034,598 0.025,599 0.031,600 0.016,601 0.006,602 0.008,603 0.01,604 0.36,605 0.33,606 0.88,607 0.465,608 124.601,609 -0.139,610 -0.447,611 0.065,612 -0.189,613 -0.145,614 -0.033,615 -0.072,616 0.189,617 0.03,618 0.133,619 0.121,620 0.091,621 -0.175,622 -0.105,623 -0.061,624 0.088,625 -0.091,626 0.04,627 0.064,628 -0.021,629 -0.048,630 -0.134,631 0.091,632 -0.122,634 -0.024,635 0.076,636 0.109,637 -0.072,638 0.118,639 0.09,640 0.239,641 -0.041,642 -0.035,643 0.117,644 -0.068,645 -0.047,646 -0.176,647 -0.269,648 -0.294,649 -0.109,650 -0.317,651 -0.033,652 -0.182,653 -0.136,654 -0.301,655 -0.095,656 -0.243,657 1.526,658 2.052,659 0.923,660 20.911,661 1.014,662 1.152,663 1.579,664 2.492,665 0.631,666 3.401,667 3.714,668 3.989,669 4.263,670 4.533,671 4.615,672 4.787,673 4.934,674 5.043,675 5.081,676 5.523,677 0.61,678 358.46,679 3.401,680 4.934,681 5.784,682 6.658,683 7.526,684 8.408,685 9.285,686 10.172,687 11.053,688 11.944,689 16.7,693 2,695 2,699 4,704 2,705 4,709 6,711 12,722 2,726 2,731 48,733 12,735 29,737 51,738 16,739 8,746 4,747 4,761 8,762 8,777 1,778 1,781 22,782 10,783 4,784 10,790 8,794 1,795 2,806 2,812 4,839 2,840 4,848 26,849 2,854 8,856 2,859 2,870 4.2,874 2,877 12.667,878 8.367,879 5.694,880 2.792,881 2.215,882 1.303,883 0.993,884 5.127,885 9.514,886 3.584,887 4.127,888 4.673,889 5.24,890 5.804,891 6.102,892 6.49,893 6.863,894 7.16,895 7.417,896 0.833,897 41,898 9.586,900 4.05,901 7.692,902 18.386,904 14.974,905 2.192,906 57,910 211.88,911 59.712,912 139.185,914 22,917 59.712,918 233.88,919 139.185,921 26.792,922 75.271,923 100.913,924 21.238,925 8.454,926 200.109,928 211.88,929 198.897,930 22,933 211.88,935 22,937 42.395,938 89.361,939 67.142,941 211.88,942 161.185,943 59.712,946 211.88,947 41.189,948 24.772,950 154.936,951 211.88,952 161.185,953 59.712,955 0.576,956 0.334,957 0.186,958 0.105,959 20,960 8,961 0.059,962 3,964 1,965 3.766,966 227.404,968 24,969 114.211,974 17.366,975 7.676,976 3.888,978 161.185,979 3.521,980 17.601,984 3.268,986 65.794,987 432.777,988 35,999 48.654,1000 55.312,1001 0.298,1002 0.597,1003 0.717,1004 0.754,1005 0.799,1006 0.836,1007 4.828,1008 1.258,1009 5.753,1010 4.065,1011 4.394,1012 4.812,1013 1.771,1014 6.547,1015 4.233,1016 5.993,1017 1.076,1018 7.295,1019 3.137,1020 3.892,1021 4.543,1022 0.57,1023 7.391,1024 3.679,1025 7.28,1026 1,1027 8.939,1028 2.658,1029 5.964,1030 6.918,1031 1.413,1032 10.508,1033 5.664,1034 8.601,1035 1,1036 10.645,1037 2.509,1038 6.293,1039 7.479,1040 0.479,1041 12.191,1042 5.956,1043 9.958,1044 1,1045 12.391,1046 2.136,1047 7.816,1048 9.342,1049 1.15,1050 14.798,1051 7.399,1052 11.339,1054 14.163,1055 2.136,1056 8.545,1057 10.297,1058 0.346,1059 16.824,1060 8.093,1061 12.739,1062 -0.456,1063 15.954,1065 9.828,1066 11.933,1067 0.93,1068 19.242,1069 9.305,1070 3.113,1071 -0.514,1072 17.759,1073 -1.194,1074 10.752,1075 13.093,1076 0.237,1077 21.417,1078 10.193,1079 2.852,1080 10.285,1081 19.574,1082 -1.242,1083 11.93,1084 14.617,1085 0.742,1086 23.763,1087 11.31,1088 2.684,1089 9.268,1090 21.397,1091 4.141,1092 12.949,1093 15.887,1094 0.158,1095 26.006,1096 12.291,1097 2.299,1098 8.629,1099 23.226,1100 3.714,1101 14.083,1102 17.355,1103 0.583,1104 28.325,1105 13.371,1106 1.958,1107 6.531,1108 25.059,1109 2.972,1110 15.15,1111 18.686,1112 0.104,1113 30.602,1114 14.396,1115 1.697,1116 5.267,1117 26.896,1118 2.955,1119 16.268,1120 20.125,1121 0.452,1122 32.912,1123 15.465,1124 1.671,1125 4.408,1126 28.737,1127 2.362,1128 17.359,1129 21.491,1130 0.068,1131 35.206,1132 16.514,1133 7084,1134 11849,1135 19.879,1136 30.284,1137 43.361,1138 43.895,1139 43.839,1140 43.243,1141 43.217,1142 52.249,1143 6.64,1144 122.055,1145 39.668,1146 5.455,1147 5.258,1148 6.324,1149 5.165,1150 5.113,1151 7.141,1152 1.72,1153 17.162,1154 4.884,1155 9.154,1156 1.495,1157 1.514,1158 1.512,1159 1.491,1160 1.49,1161 1.802,1162 0.229,1163 4.209,1164 1.368,1165 4.002,1166 4.054,1167 3.969,1168 3.839,1169 5.298,1170 3.865,1171 3.797,1172 3.859,1173 3.742,1174 3.586,1175 4.995,1176 3.616,1177 3.745,1178 3.803,1179 3.626,1180 3.518,1181 4.937,1182 3.535,1183 3.55,1184 3.605,1185 3.459,1186 3.335,1187 4.614,1188 3.359,1189 3.111,1190 3.208,1191 2.98,1192 2.941,1193 4.591,1194 2.91,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.427,1200 2.91,1201 3.091,1202 3.206,1203 2.866,1204 2.793,1205 3.978,1206 2.831,1207 2.94,1208 3.029,1209 2.843,1210 2.653,1211 3.848,1212 2.69,1213 0.154,1214 0.112,1215 0.225,1216 0.14,1217 0.107,1218 4.455,1219 0.143,1220 3.258,1221 0.03,1222 6.522,1223 0.355,1224 4.062,1225 0.102,1226 3.113,1227 4.141,1228 0.86,1229 10.285,1230 2.965,1231 1.893,1232 1.851,1233 1.983,1234 2.083,1235 1.219,1236 2.055,1237 1.71,1238 1.654,1239 1.904,1240 1.944,1241 1.188,1242 1.926,1243 1.68,1244 1.621,1245 1.851,1246 1.933,1247 0.935,1248 1.918,1249 1.46,1250 1.406,1251 1.59,1252 1.702,1253 0.825,1254 1.676,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.559,1266 1.429,1267 0.979,1268 0.881,1269 1.261,1270 1.369,1271 0.269,1272 1.35,1273 0.832,1274 0.759,1275 1.137,1276 1.185,1277 0.201,1278 1.18,1279 4.078,1281 5.389,1283 6.909,1285 8.518,1287 10.172,1293 11.672,1295 5.749,1297 10.886,1300 4.304,1305 29.288,1306 79.971,1307 160.078,1308 192.078,1309 202.078,1310 214.078,1311 224.078,1312 34.11,1313 7.3,1314 128.54,1315 128.54,1316 24,1317 12.475,1318 3.7,1319 2.807,1320 37.615,1321 86,1322 86,1323 0.216,1324 179.457,1325 303.86,1326 429.635,1327 12789,1329 17.933,1330 0.69,1331 0.556,1332 17.933,1333 14.466,1334 12.704,1335 0.438,1336 0.298,1337 8.417,1338 11.89,1339 8.327,1340 6.775,1341 12.704,1342 8.634,1343 11.343,1344 0.284,1345 0.153,1346 11.343,1347 6.137,1348 9.553,1349 0.18,1350 0.084,1351 9.553,1352 4.443,1353 8.175,1354 0.117,1355 0.043,1356 8.175,1357 3.026,1358 6.713,1359 0.073,1360 0.022,1361 6.713,1362 2.039,1363 0.327,1364 81.627,1365 0.224,1366 24.591,1367 0.634,1368 138,1369 433.966,1370 158.966,1371 407.918,1372 562.42,1373 386,1374 162,1375 416.512,1376 183.19,1377 415.253,1378 613.77,1379 391,1380 7.638}
{0 CHEMBL2017976,1 1.711,2 8.731,3 -0.1,4 0.01,5 96.159,6 7.648,7 0.207,8 3.994,9 4.124,10 3.583,11 3.375,12 5.084,13 3.411,14 4.571,15 4.76,16 3.935,17 3.764,18 5.662,19 3.777,20 4.776,21 4.994,22 3.964,23 3.92,24 5.8,25 3.896,26 4.757,27 4.991,28 3.919,29 3.902,30 5.891,31 3.848,32 4.731,33 4.973,34 3.912,35 3.862,36 5.758,37 3.828,38 4.64,39 4.833,40 3.975,41 3.883,42 5.731,43 3.862,44 4.772,45 4.967,46 3.957,47 3.986,48 5.771,49 3.933,50 5.011,51 5.263,52 3.834,53 3.974,54 5.989,55 3.874,56 0.13,57 0.744,58 9.828,59 3.256,60 9.762,61 4.911,62 0.619,63 1.116,64 20.839,65 5.727,66 35.931,67 8.347,68 0.698,69 1.301,70 26.599,71 6.55,72 41.002,73 10.661,74 0.618,75 1.277,76 25.77,77 7.18,78 65.288,79 11.59,80 0.627,81 1.225,82 25.894,83 6.463,84 49.017,85 10.888,86 0.586,87 1.243,88 21.395,89 6.615,90 31.582,91 9.798,92 0.505,93 1.333,94 24.416,95 7.759,96 30.073,97 11.801,98 0.805,99 1.301,100 35.819,101 9.779,102 80.047,103 15.1,104 5,105 40,106 0.295,107 0.617,108 0.707,109 0.722,110 0.766,111 0.803,112 3.305,113 0.89,114 -2.4,115 -2.43,116 -2.39,119 34,125 8,136 1,137 1,142 1,146 1,147 1,150 1,158 1,159 1,163 1,164 1,165 1,174 4,175 6,177 1,178 3,179 1,180 1,182 1,183 1,186 2,198 5,199 6,201 1,202 2,204 2,209 1,211 3,212 1,223 6,226 1,227 4,229 1,234 1,236 3,237 3,252 3,253 3,262 4,266 2,275 964,276 17.861,277 17.861,278 17.861,279 17.861,280 17.861,281 16.616,282 28.878,283 10.738,284 18.642,285 14.364,286 14.364,287 14.364,288 14.364,289 14.364,290 12.358,291 40.676,292 5.162,293 15.578,294 3.844,295 1.974,296 1.447,297 1.362,298 1.106,299 0.894,300 4.005,304 1,305 1,306 495,307 2,311 322.988,318 1.157,319 30.517,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 58.5,331 227,332 4.452,333 3.626,334 6.522,335 4.072,336 3.113,337 4.05,338 1.283,339 10.285,340 3.006,341 4.141,342 3.225,343 6.216,344 3.795,345 2.852,346 3.546,347 0.953,348 9.268,349 2.668,350 3.795,351 3.013,352 6.016,353 3.596,354 2.684,355 2.972,356 0.86,357 8.629,358 2.445,359 3.636,360 2.786,361 5.25,362 3.222,363 2.299,364 2.867,365 0.86,366 6.531,367 2.12,368 3.269,369 2.556,370 4.804,371 2.886,372 1.958,373 2.399,374 0.8,375 5.267,376 1.812,377 2.994,378 2.278,379 4.487,380 2.629,381 1.697,382 2.033,383 0.8,384 4.408,385 1.579,386 2.838,387 2.25,388 4.283,389 2.587,390 1.671,391 1.879,392 0.126,393 4.065,394 1.504,395 2.677,396 1.676,397 3.93,398 2.177,399 1.258,400 1.611,402 3.137,403 1.151,404 2.232,405 1.306,406 3.508,407 1.963,408 1.076,409 1.212,411 2.658,412 0.948,413 2.166,414 1.288,415 3.472,416 1.952,417 1,418 1.132,420 2.509,421 0.946,422 2,423 1.256,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 1.256,432 3.247,433 1.884,434 1,435 1,436 2.136,437 0.879,438 1.354,439 0.794,440 2.801,441 0.969,447 0.869,448 0.095,449 2.6,450 0.475,451 -0.456,452 -0.533,454 -1.194,455 -0.423,456 0.834,457 -0.299,458 2.434,459 0.469,460 -0.514,461 -0.604,463 -1.242,464 -0.499,465 11.8,466 0.454,467 0.554,468 0.021,469 31,470 1.192,471 11.5,472 0.442,473 19.5,474 0.75,475 21.74,476 0.836,477 29.6,478 0.63,479 23.736,480 0.913,481 6.35,482 0.244,483 6.354,484 0.244,485 0.062,487 0.322,493 0.931,494 1.815,495 0.754,496 1.369,497 0.724,498 1.055,499 1.171,500 0.948,501 0.934,502 0.888,503 0.677,504 0.87,505 1.159,506 1.136,507 1.018,508 0.913,509 0.943,510 0.925,511 0.642,512 1.092,513 0.919,514 1.09,515 0.783,516 1.062,517 0.823,518 1.074,519 0.83,520 0.873,521 0.982,522 0.841,523 0.714,524 0.983,525 0.977,526 1.096,527 0.621,528 1.089,529 0.806,530 1.333,531 1.124,532 1.419,533 0.847,534 1.344,535 1.076,536 1.061,537 1.117,538 1.261,539 1.499,540 1.218,541 4.5,542 0.05,543 2.667,544 1.375,545 0.969,546 1.222,547 0.649,548 0.241,549 0.258,550 0.179,551 7469,552 21443,553 2.148,554 44.7,556 17,557 1,559 3,564 1.7,565 2.053,566 3.107,567 1.088,569 1,573 80.421,574 1.711,575 3.581,576 4.108,577 4.193,578 4.448,579 4.661,580 2.422,581 3.777,582 4.671,583 3.252,584 1056.84,585 8.144,586 13030,588 1,591 261.066,592 1.239,593 4.65,594 0.155,595 0.007,596 0.067,597 0.034,598 0.025,599 0.031,600 0.016,601 0.006,602 0.008,603 0.01,604 0.36,605 0.5,606 0.88,607 0.465,608 124.601,609 -0.122,610 -0.475,611 0.067,612 -0.213,613 -0.063,614 -0.048,615 -0.064,616 0.186,617 0.008,618 0.112,619 0.056,620 0.068,621 -0.181,622 -0.074,623 -0.067,624 0.079,625 -0.08,626 0.04,627 0.107,628 -0.015,629 0.006,630 -0.081,631 0.16,632 -0.066,633 0.005,634 -0.043,635 0.122,636 0.117,637 -0.05,638 0.148,639 0.113,640 0.224,641 -0.09,642 -0.058,643 0.096,644 -0.118,645 -0.027,646 -0.176,647 -0.244,648 -0.331,649 -0.072,650 -0.33,651 -0.088,652 -0.164,653 -0.123,654 -0.264,655 -0.146,656 -0.211,657 1.989,658 5.312,659 0.923,660 20.911,661 1.019,662 1.149,663 1.173,664 1.375,665 0.633,666 3.401,667 3.714,668 3.989,669 4.263,670 4.533,671 4.615,672 4.787,673 4.934,674 5.043,675 5.081,676 5.523,677 0.617,678 359.44,679 3.401,680 4.934,681 5.784,682 6.658,683 7.526,684 8.408,685 9.285,686 10.172,687 11.053,688 11.944,689 14.9,690 1,695 2,696 1,698 1,699 2,704 1,705 2,709 3,711 6,726 2,731 47,733 9,735 29,737 50,738 16,739 4,742 4,746 4,747 4,750 1,761 8,762 8,766 3,771 1,773 1,774 1,775 3,778 1,781 21,782 10,783 3,784 10,790 7,794 1,795 3,806 1,812 4,826 1,832 1,833 1,839 2,840 4,848 26,849 1,854 8,855 1,856 2,859 2,870 6.4,873 1,874 2,877 12.667,878 8.25,879 5.694,880 2.775,881 1.909,882 1.262,883 0.986,884 5.127,885 9.209,886 3.584,887 4.086,888 4.593,889 5.129,890 5.664,891 5.98,892 6.339,893 6.663,894 6.891,895 7.099,896 0.833,897 41,898 9.627,900 4.117,901 7.788,902 18.319,904 14.965,905 2.288,906 59.5,910 211.88,911 62.089,912 107.513,914 47.145,917 62.089,918 259.025,919 107.513,921 86.748,922 9.476,923 85.42,924 28.976,925 17.897,926 200.109,928 211.88,929 169.602,930 47.145,933 211.88,934 25.145,935 22,937 99.142,938 36.89,939 33.571,941 211.88,942 154.658,943 62.089,946 211.88,947 43.565,948 24.772,949 18.011,950 130.398,951 211.88,952 154.658,953 62.089,955 0.576,956 0.334,957 0.186,958 0.105,959 20,960 8,961 0.06,962 3,964 1,965 3.766,966 227.404,968 24,969 114.211,974 17.366,975 7.676,976 3.888,978 154.658,979 1.817,980 9.339,984 1.885,986 50.908,987 428.627,988 35,993 12.312,995 1.447,996 3.995,997 0.122,999 47.88,1000 54.023,1001 0.308,1002 0.645,1003 0.74,1004 0.755,1005 0.801,1006 0.839,1007 4.84,1008 1.258,1009 5.753,1010 4.065,1011 4.394,1012 4.771,1013 2.361,1014 6.547,1015 4.249,1016 6.002,1017 1.076,1018 7.295,1019 3.137,1020 3.892,1021 4.494,1022 0.968,1023 7.391,1024 3.719,1025 7.291,1026 1,1027 8.939,1028 2.658,1029 5.964,1030 6.815,1031 2.282,1032 10.508,1033 5.698,1034 8.611,1035 1,1036 10.645,1037 2.509,1038 6.293,1039 7.363,1040 1.289,1041 12.191,1042 6.016,1043 9.967,1044 1,1045 12.391,1046 2.136,1047 7.816,1048 9.177,1049 2.373,1050 14.798,1051 7.454,1052 11.346,1054 14.163,1055 2.136,1056 8.545,1057 10.117,1058 1.673,1059 16.824,1060 8.174,1061 12.743,1062 -0.456,1063 15.954,1065 9.828,1066 11.711,1067 2.583,1068 19.242,1069 9.387,1070 3.113,1071 -0.514,1072 17.759,1073 -1.194,1074 10.752,1075 12.854,1076 2.129,1077 21.417,1078 10.298,1079 2.852,1080 10.285,1081 19.574,1082 -1.242,1083 11.93,1084 14.344,1085 2.887,1086 23.763,1087 11.421,1088 2.684,1089 9.268,1090 21.397,1091 4.05,1092 12.949,1093 15.596,1094 2.624,1095 26.006,1096 12.422,1097 2.299,1098 8.629,1099 23.226,1100 3.546,1101 14.083,1102 17.035,1103 3.257,1104 28.325,1105 13.512,1106 1.958,1107 6.531,1108 25.059,1109 2.972,1110 15.15,1111 18.348,1112 3.135,1113 30.602,1114 14.555,1115 1.697,1116 5.267,1117 26.896,1118 2.867,1119 16.268,1120 19.762,1121 3.671,1122 32.912,1123 15.637,1124 1.671,1125 4.408,1126 28.737,1127 2.399,1128 17.359,1129 21.108,1130 3.649,1131 35.206,1132 16.702,1133 7084,1134 12131,1135 19.879,1136 29.733,1137 43.727,1138 44.988,1139 43.839,1140 43.252,1141 43.217,1142 51.402,1143 11.363,1144 122.055,1145 40.008,1146 5.452,1147 5.626,1148 6.324,1149 5.175,1150 5.113,1151 7.05,1152 2.394,1153 17.162,1154 4.928,1155 9.154,1156 1.508,1157 1.551,1158 1.512,1159 1.491,1160 1.49,1161 1.772,1162 0.392,1163 4.209,1164 1.38,1165 3.992,1166 4.041,1167 3.958,1168 3.823,1169 7.429,1170 3.851,1171 3.777,1172 3.831,1173 3.719,1174 3.562,1175 5.155,1176 3.591,1177 3.745,1178 3.803,1179 3.626,1180 3.518,1181 4.965,1182 3.535,1183 3.55,1184 3.606,1185 3.459,1186 3.326,1187 4.614,1188 3.353,1189 3.111,1190 3.206,1191 3.034,1192 2.941,1193 4.592,1194 2.91,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.398,1200 2.91,1201 3.109,1202 3.184,1203 2.866,1204 2.836,1205 3.977,1206 2.875,1207 2.938,1208 2.999,1209 2.844,1210 2.653,1211 3.848,1212 2.69,1213 0.154,1214 0.125,1215 0.225,1216 0.14,1217 0.107,1218 4.452,1219 0.14,1220 3.626,1221 0.044,1222 6.522,1223 0.355,1224 4.072,1225 0.104,1226 3.113,1227 4.05,1228 1.283,1229 10.285,1230 3.006,1231 1.88,1232 1.839,1233 1.979,1234 2.076,1235 1.219,1236 2.048,1237 1.687,1238 1.637,1239 1.904,1240 1.933,1241 1.188,1242 1.926,1243 1.68,1244 1.621,1245 1.828,1246 1.925,1247 0.918,1248 1.895,1249 1.453,1250 1.398,1251 1.584,1252 1.705,1253 0.825,1254 1.678,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.552,1266 1.429,1267 0.997,1268 0.919,1269 1.232,1270 1.325,1271 0.269,1272 1.301,1273 0.824,1274 0.758,1275 1.105,1276 1.157,1277 0.21,1278 1.138,1279 4.078,1281 5.389,1283 6.909,1285 8.518,1287 10.172,1293 5.556,1295 5.469,1296 2.519,1297 10.836,1300 4.202,1305 28.982,1306 80.421,1307 168.311,1308 193.066,1309 197.066,1310 209.066,1311 219.066,1312 38.974,1313 7.3,1314 122.49,1315 122.49,1316 24,1317 12.475,1318 3.322,1319 2.807,1320 37.615,1321 86,1322 86,1323 0.216,1324 176.659,1325 312.55,1326 422.807,1327 12789,1329 17.933,1330 0.69,1331 0.552,1332 17.933,1333 14.35,1334 12.704,1335 0.438,1336 0.297,1337 8.38,1338 11.86,1339 8.302,1340 6.742,1341 12.704,1342 8.602,1343 11.343,1344 0.284,1345 0.153,1346 11.343,1347 6.121,1348 9.553,1349 0.18,1350 0.083,1351 9.553,1352 4.425,1353 8.175,1354 0.117,1355 0.043,1356 8.175,1357 3.01,1358 6.713,1359 0.073,1360 0.022,1361 6.713,1362 2.044,1363 0.327,1364 81.916,1365 0.224,1366 24.591,1367 0.634,1368 138,1369 461.077,1370 160.098,1371 428.17,1372 582.29,1373 404,1374 162,1375 422.74,1376 184.185,1377 419.634,1378 620.74,1379 395,1380 7.824}
{0 CHEMBL2017977,1 1.894,2 8.862,3 2.125,4 4.514,5 101.665,6 8.397,7 0.375,8 4.047,9 4.17,10 3.696,11 3.417,12 5.198,13 3.475,14 4.652,15 4.834,16 4.136,17 3.796,18 6.209,19 3.847,20 4.809,21 5.022,22 4.12,23 3.962,24 5.988,25 3.963,26 4.82,27 5.04,28 4.141,29 3.972,30 6.022,31 3.971,32 4.887,33 5.12,34 4.26,35 3.944,36 6.377,37 3.972,38 4.793,39 4.991,40 4.137,41 3.945,42 6.038,43 3.971,44 4.858,45 5.05,46 4.209,47 4.044,48 6.11,49 4.025,50 5.075,51 5.318,52 4.148,53 4.083,54 6.139,55 4.036,56 0.28,57 0.94,58 8.479,59 3.665,60 33.305,61 4.731,62 1.296,63 1.7,64 21.594,65 6.238,66 159.185,67 7.942,68 1.064,69 1.586,70 25.818,71 6.932,72 78.738,73 10.466,74 0.821,75 1.785,76 24.924,77 7.995,78 70.222,79 11.251,80 1.363,81 1.827,82 29.665,83 7.138,84 147.945,85 11.009,86 1.069,87 1.72,88 24.308,89 7.761,90 97.641,91 9.248,92 1.101,93 1.71,94 24.258,95 8.035,96 59.34,97 11.757,98 1.156,99 1.918,100 35.757,101 11.385,102 125.92,103 15.885,104 18,105 46,106 0.323,107 0.6,108 0.705,109 0.719,110 0.761,111 0.796,112 3.409,113 0.859,114 -3.32,115 -3.31,116 -3.17,119 34.7,125 8,132 1,142 1,143 1,145 1,146 2,147 1,150 2,163 1,164 1,165 1,174 5,175 6,177 2,178 2,183 1,186 2,198 4,199 6,204 1,209 1,211 3,212 1,223 6,226 1,227 1,229 1,234 1,236 3,237 3,252 3,253 3,262 4,275 1342,276 19.333,277 19.333,278 19.333,279 19.333,280 19.333,281 18.011,282 28.527,283 11.44,284 20.385,285 15.858,286 15.858,287 15.858,288 15.858,289 15.858,290 13.718,291 40.794,292 5.507,293 17.615,294 3.721,295 2.097,296 1.485,297 1.403,298 1.158,299 0.954,300 4.103,304 1,305 1,306 552,307 3.162,311 362.944,318 1.137,319 52.071,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 68,331 257,332 4.62,333 4.471,334 7.289,335 4.3,336 3.412,337 4.22,338 3.825,339 12.465,340 3.089,341 4.288,342 3.247,343 6.372,344 3.936,345 3.026,346 3.8,347 0.86,348 9.848,349 2.734,350 3.825,351 3.013,352 6.045,353 3.596,354 2.684,355 3.043,356 0.86,357 8.629,358 2.445,359 3.795,360 2.863,361 6.016,362 3.519,363 2.617,364 2.972,365 0.8,366 8.62,367 2.314,368 3.616,369 2.445,370 5.134,371 3.189,372 2.282,373 2.946,374 0.8,375 6.3,376 2.053,377 3.091,378 2.283,379 4.76,380 2.825,381 1.915,382 2.173,384 5.14,385 1.736,386 2.838,387 2.25,388 4.436,389 2.587,390 1.697,391 1.879,393 4.073,394 1.505,395 2.754,396 1.783,397 4.283,398 2.33,399 1.424,400 1.829,402 4.065,403 1.277,404 2.573,405 1.459,406 3.938,407 2.044,408 1.159,409 1.604,411 2.981,412 1.017,413 2.232,414 1.288,415 3.508,416 1.962,417 1.071,418 1.214,420 2.655,421 0.947,422 2.166,423 1.256,424 3.472,425 1.952,426 1,427 1.132,428 2.509,429 0.946,430 2,431 1.256,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.156,440 3.247,441 1.884,442 1,443 1,445 2.136,446 0.879,447 1.234,448 0.51,449 2.955,450 0.833,451 -0.089,452 -0.112,454 -0.225,455 -0.081,456 0.834,457 0.51,458 2.604,459 0.474,460 -0.456,461 -0.533,463 -1.194,464 -0.423,465 12.824,466 0.442,467 0.843,468 0.029,469 35,470 1.207,471 13.5,472 0.466,473 21.5,474 0.741,475 25.524,476 0.88,477 33.976,478 0.693,479 30.136,480 1.039,481 7.072,482 0.244,483 6.843,484 0.236,485 0.098,486 0.039,487 0.296,490 3,493 0.732,494 1.374,495 0.647,496 1.378,497 0.634,498 1.062,499 0.778,500 0.729,501 0.794,502 0.84,503 0.398,504 0.831,505 0.724,506 0.823,507 0.851,508 0.871,509 0.483,510 0.903,511 0.682,512 1.155,513 0.804,514 1.196,515 0.681,516 1.079,517 0.724,518 0.901,519 0.747,520 0.869,521 0.76,522 0.828,523 1.158,524 1.127,525 1.115,526 1.065,527 1.177,528 1.06,529 0.485,530 0.803,531 0.93,532 1.259,533 0.568,534 1.294,535 0.726,536 1.11,537 0.896,538 1.374,539 0.71,540 1.256,541 6.5,542 0.124,543 3.333,544 1.875,545 1.667,546 1.521,547 0.834,548 0.575,549 0.455,550 0.296,551 9452,552 33250,553 2.082,554 40.8,556 17,558 1,559 2,564 1.73,565 1.944,566 3.119,567 0.399,568 1,569 1,573 92.789,574 1.894,575 3.518,576 4.13,577 4.212,578 4.456,579 4.661,580 2.388,581 3.797,582 4.831,583 3.283,584 1332.83,585 8.473,586 17724.5,588 1,590 1,591 275.121,592 1.548,593 4.781,594 0.203,595 0.01,596 0.072,597 0.04,598 0.035,599 0.03,600 0.018,601 0.012,602 0.011,603 0.01,604 0.44,605 0.5,606 1,607 0.729,608 143.621,609 -0.098,610 -0.317,611 0.046,612 -0.22,613 -0.092,614 -0.062,615 0.175,616 0.266,617 0.093,618 0.15,619 0.408,620 0.094,621 -0.015,622 0.004,623 0.019,624 0.11,625 0.057,626 0.082,627 -0.014,628 -0.225,629 0.057,630 -0.169,631 -0.007,632 -0.059,633 0.189,634 0.118,635 0.207,636 0.094,637 0.215,638 0.135,639 -0.208,640 0.022,641 -0.231,642 -0.03,643 -0.174,644 -0.11,645 0.227,646 0.174,647 -0.108,648 -0.209,649 0.084,650 -0.3,651 0.019,652 -0.272,653 0.048,654 -0.345,655 0.005,656 -0.187,657 5.949,658 5.581,659 0.828,660 23.971,661 1.04,662 1.168,663 2.095,664 4.389,665 0.63,666 3.497,667 3.85,668 4.094,669 4.382,670 4.682,671 4.727,672 4.949,673 5.075,674 5.22,675 5.252,676 5.752,677 0.632,678 411.44,679 3.497,680 5.056,681 5.905,682 6.801,683 7.676,684 8.576,685 9.462,686 10.364,687 11.257,688 12.16,689 14.3,693 1,695 2,699 4,704 2,705 4,709 6,711 12,722 1,726 2,731 49,733 12,735 32,737 52,738 17,739 8,746 4,747 4,752 1,757 1,761 8,762 9,778 1,779 3,781 20,782 12,783 2,784 12,790 7,794 1,795 2,806 2,812 4,839 2,840 4,846 3,848 29,849 1,854 8,856 2,859 2,860 1,869 3,870 4.1,874 2,877 14.917,878 8.712,879 6.194,880 2.878,881 2.335,882 1.31,883 0.983,884 5.724,885 9.863,886 3.664,887 4.22,888 4.754,889 5.332,890 5.919,891 6.209,892 6.646,893 6.971,894 7.32,895 7.549,896 0.833,897 47,898 11.369,900 5.474,901 8.198,902 19.842,904 16.228,905 2.698,906 78.25,910 211.88,911 67.901,912 106.288,914 22,915 44.88,917 67.901,918 233.88,919 151.168,921 26.792,922 42.373,923 100.913,924 68.875,925 6.126,926 200.109,927 7.76,928 211.88,929 174.189,930 66.88,933 211.88,934 44.88,935 22,937 52.911,938 54.136,939 67.142,941 256.76,942 128.288,943 67.901,946 219.639,947 41.618,948 24.772,950 166.919,951 211.88,952 173.168,953 67.901,955 0.588,956 0.33,957 0.181,958 0.111,959 23,960 10,961 0.058,962 3,964 1,965 3.881,966 268.853,968 24,969 128.127,974 20.081,975 8.267,976 4.527,978 173.168,979 2.582,980 16.177,984 -0.836,986 32.897,987 452.949,988 38,999 50.974,1000 57.248,1001 0.337,1002 0.627,1003 0.736,1004 0.75,1005 0.794,1006 0.83,1007 4.942,1008 1.424,1009 5.927,1010 4.073,1011 4.533,1012 4.905,1013 3.247,1014 6.783,1015 4.337,1016 6.139,1017 1.159,1018 7.517,1019 4.065,1020 4.29,1021 4.771,1022 3.919,1023 7.941,1024 3.932,1025 7.456,1026 1.071,1027 9.221,1028 2.981,1029 6.209,1030 7.03,1031 5.434,1032 10.996,1033 5.82,1034 8.808,1035 1,1036 10.996,1037 2.655,1038 6.77,1039 7.681,1040 6.69,1041 12.969,1042 6.225,1043 10.195,1044 1,1045 12.817,1046 2.509,1047 8.216,1048 9.482,1049 8.058,1050 15.621,1051 7.623,1052 11.607,1053 1,1054 14.67,1055 2.136,1056 9.128,1057 10.499,1058 9.389,1059 17.909,1060 8.4,1061 13.037,1062 -0.089,1063 16.546,1064 2.136,1065 10.402,1066 12.103,1067 10.734,1068 20.448,1069 9.604,1070 3.412,1071 -0.456,1072 18.439,1073 -0.225,1074 11.473,1075 13.309,1076 12.074,1077 22.865,1078 10.556,1079 3.026,1080 12.465,1081 20.347,1082 -1.194,1083 12.688,1084 14.82,1085 13.416,1086 25.377,1087 11.687,1088 2.684,1089 9.848,1090 22.266,1091 4.22,1092 13.831,1093 16.126,1094 14.758,1095 27.85,1096 12.722,1097 2.617,1098 8.629,1099 24.195,1100 3.8,1101 15.031,1102 17.593,1103 16.1,1104 30.36,1105 13.83,1106 2.282,1107 8.62,1108 26.132,1109 3.043,1110 16.208,1111 18.954,1112 17.441,1113 32.857,1114 14.904,1115 1.915,1116 6.3,1117 28.075,1118 2.972,1119 17.409,1120 20.4,1121 18.783,1122 35.37,1123 16.009,1124 1.697,1125 5.14,1126 30.025,1127 2.946,1128 18.604,1129 21.791,1130 20.124,1131 37.88,1132 17.103,1133 9091,1134 17275,1135 21.266,1136 30.853,1137 48.814,1138 48.843,1139 48.901,1140 48.75,1141 48.575,1142 57.628,1143 14.291,1144 143.113,1145 43.774,1146 5.62,1147 6.471,1148 7.091,1149 5.403,1150 5.412,1151 7.22,1152 5.335,1153 20.222,1154 5.017,1155 13.687,1156 1.525,1157 1.526,1158 1.528,1159 1.523,1160 1.518,1161 1.801,1162 0.447,1163 4.472,1164 1.368,1165 4.012,1166 4.06,1167 3.989,1168 3.852,1169 8.513,1170 3.879,1171 3.818,1172 3.873,1173 3.777,1174 3.604,1175 7.999,1176 3.637,1177 3.745,1178 3.803,1179 3.626,1180 3.518,1181 7.999,1182 3.535,1183 3.557,1184 3.609,1185 3.469,1186 3.344,1187 5.223,1188 3.367,1189 3.309,1190 3.373,1191 3.325,1192 2.941,1193 4.965,1194 3.004,1195 3.111,1196 3.206,1197 2.918,1198 2.941,1199 4.615,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.922,1205 4.602,1206 2.91,1207 3.005,1208 3.09,1209 2.866,1210 2.74,1211 4.517,1212 2.779,1213 0.144,1214 0.14,1215 0.228,1216 0.134,1217 0.107,1218 4.62,1219 0.132,1220 4.471,1221 0.12,1222 7.289,1223 0.39,1224 4.3,1225 0.097,1226 3.412,1227 4.22,1228 3.825,1229 12.465,1230 3.089,1231 1.899,1232 1.86,1233 1.983,1234 2.085,1235 1.22,1236 2.055,1237 1.72,1238 1.668,1239 1.904,1240 1.952,1241 1.188,1242 1.926,1243 1.68,1244 1.621,1245 1.85,1246 1.933,1247 0.968,1248 1.92,1249 1.465,1250 1.414,1251 1.588,1252 1.705,1253 0.825,1254 1.677,1255 1.153,1256 1.064,1257 1.513,1258 1.462,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.591,1266 1.429,1267 1.046,1268 0.983,1269 1.228,1270 1.376,1271 0.269,1272 1.366,1273 0.887,1274 0.818,1275 1.105,1276 1.224,1277 0.203,1278 1.189,1279 4.174,1281 5.517,1283 7.059,1285 8.686,1287 10.361,1291 40.744,1293 5.397,1295 4.314,1297 10.718,1300 3.854,1301 -4.699,1305 30.944,1306 92.789,1307 172.366,1308 202.366,1309 206.366,1310 218.366,1311 228.366,1312 58.341,1313 7.527,1314 102.52,1315 102.52,1316 24,1317 12.682,1318 3.7,1319 2.807,1320 44.15,1321 98,1322 96,1323 0.218,1324 185.849,1325 328.37,1326 445.233,1327 16926,1328 6.1,1329 20.433,1330 0.705,1331 0.535,1332 17.933,1333 15.523,1334 13.915,1335 0.435,1336 0.286,1337 8.879,1338 12.846,1339 8.842,1340 7.136,1341 12.704,1342 9.162,1343 13.338,1344 0.29,1345 0.143,1346 11.343,1347 6.598,1348 10.333,1349 0.175,1350 0.079,1351 9.553,1352 4.682,1353 8.75,1354 0.111,1355 0.041,1356 8.175,1357 3.218,1358 7.789,1359 0.073,1360 0.021,1361 6.713,1362 2.204,1363 0.329,1364 90.856,1365 0.217,1366 26.786,1367 0.643,1368 156,1369 700.987,1370 192.901,1371 577.918,1372 758.44,1373 540,1374 183,1375 531.667,1376 214.458,1377 510.359,1378 775.93,1379 479,1380 7.854}
{0 CHEMBL2018214,1 1.831,2 9.346,3 3.373,4 11.379,5 99.806,6 9.17,7 0.207,8 3.905,9 4.013,10 3.651,11 3.42,12 5.009,13 3.425,14 4.472,15 4.64,16 4.075,17 3.822,18 5.573,19 3.813,20 4.678,21 4.86,22 4.272,23 3.984,24 5.829,25 3.941,26 4.7,27 4.905,28 4.056,29 3.954,30 5.797,31 3.877,32 4.656,33 4.874,34 4.001,35 3.885,36 5.71,37 3.824,38 4.641,39 4.819,40 4.111,41 3.856,42 5.851,43 3.832,44 4.582,45 4.776,46 4.024,47 3.802,48 5.789,49 3.742,50 4.447,51 4.651,52 3.764,53 3.684,54 5.569,55 3.567,56 0.124,57 0.671,58 6.052,59 3.523,60 7.082,61 4.21,62 0.482,63 1.073,64 15.826,65 6.069,66 22.058,67 7.318,68 0.668,69 1.226,70 26.674,71 7.651,72 47.099,73 9.198,74 0.672,75 1.221,76 27.861,77 8.174,78 45.048,79 10.53,80 0.557,81 1.155,82 27.522,83 8.187,84 41.525,85 10.736,86 0.697,87 1.115,88 21.737,89 6.752,90 62.973,91 7.681,92 0.793,93 1.002,94 25.238,95 6.713,96 58.774,97 8.145,98 0.518,99 0.832,100 23.046,101 7.348,102 47.144,103 9.217,104 17,105 42,106 0.32,107 0.668,108 0.811,109 0.839,110 0.839,111 0.839,112 3.305,113 0.934,114 -5.66,115 -5.53,116 -5.16,119 39.5,120 1,125 5,135 1,139 1,142 3,143 1,144 2,158 2,159 1,166 1,172 3,174 6,175 7,183 4,186 3,187 3,195 6,198 5,199 7,207 3,211 2,212 7,220 2,224 9,232 3,236 3,237 8,245 3,249 1,250 4,258 2,263 6,271 2,275 980,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.911,282 23.134,283 10.14,284 18.215,285 14.289,286 14.289,287 14.289,288 14.289,289 14.289,290 11.833,291 28.486,292 4.813,293 15.58,294 3.595,295 1.601,296 0.779,297 0.622,298 0.622,299 0.622,300 4,301 2,304 1,305 1,306 528,307 2.449,310 53.483,311 218.81,314 97.699,318 1.45,319 29.355,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 57.167,331 243,332 4.527,333 3.835,334 6.851,335 4.204,336 3.276,337 3.994,338 1.486,339 11.399,340 3.044,341 4.31,342 3.448,343 6.344,344 3.863,345 2.947,346 3.861,347 1.222,348 9.467,349 2.683,350 4.001,351 3.291,352 6.137,353 3.692,354 2.775,355 3.243,356 0.98,357 9.011,358 2.532,359 3.595,360 3.121,361 5.822,362 3.347,363 2.391,364 2.716,365 0.86,366 7.712,367 2.265,368 3.306,369 2.544,370 5.02,371 2.858,372 1.941,373 2.521,374 0.842,375 5.607,376 1.721,377 3.273,378 2.499,379 4.981,380 2.77,381 1.848,382 2.416,383 0.586,384 5.368,385 1.677,386 2.924,387 2.271,388 4.543,389 2.614,390 1.691,391 2.029,392 0.181,393 4.56,394 1.555,395 2.867,396 1.966,397 4.16,398 2.36,399 1.414,400 1.915,402 3.387,403 1.285,404 2.458,405 1.705,406 3.869,407 2.18,408 1.243,409 1.393,411 3.173,412 1.147,413 2.226,414 1.571,415 3.529,416 1.952,417 1.049,418 1.164,420 2.632,421 0.946,422 2,423 1.256,424 3.247,425 1.943,426 1,427 1,428 2.136,429 0.926,430 1.705,431 1.182,432 3.177,433 1.283,434 0.408,435 0.458,436 1.018,437 0.307,438 1.407,439 0.816,440 2.749,441 0.874,442 0.043,443 0.053,445 0.102,446 0.031,447 1.056,448 0.2,449 2.609,450 0.605,451 -0.314,452 -0.408,454 -0.779,455 -0.268,456 0.758,457 0.022,458 2.369,459 0.448,460 -0.527,461 -0.639,463 -1.314,464 -0.485,465 12.595,466 0.484,467 0.716,468 0.028,469 30.5,470 1.173,471 12,472 0.462,473 18.5,474 0.712,475 24.075,476 0.926,477 28.205,478 0.656,479 22.718,480 0.874,481 6.233,482 0.24,483 6.309,484 0.243,485 0.18,487 0.373,493 0.707,494 1.579,495 0.518,496 1.038,497 0.546,498 0.914,499 0.933,500 1.026,501 0.611,502 0.723,503 0.622,504 0.748,505 1.051,506 1.115,507 0.78,508 0.793,509 0.857,510 0.858,511 0.832,512 1.013,513 1.051,514 1.044,515 0.87,516 1.077,517 0.802,518 1.078,519 0.842,520 0.98,521 0.859,522 0.925,523 1.444,524 1.159,525 0.853,526 0.886,527 1.995,528 0.948,529 1.145,530 0.872,531 1.101,532 0.903,533 1.357,534 0.979,535 0.839,536 0.97,537 1.068,538 1.205,539 0.933,540 1.211,541 5,542 0.066,543 3.556,544 2.139,545 1.689,546 1.063,547 0.674,548 0.459,549 0.259,550 0.136,551 7504,552 24875,553 2.101,554 39.5,556 14,560 3,564 1.696,565 1.95,566 3.225,567 -0.646,568 1,569 1,573 78.746,574 1.831,575 3.825,576 4.647,577 4.804,578 4.804,579 4.804,580 2.687,581 4.393,582 4.673,583 3.353,584 1089.82,585 8.123,586 13167.4,588 1,590 1,591 233.329,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.049,598 0.044,599 0.028,600 0.018,601 0.014,602 0.011,603 0.008,604 0.434,605 0.33,606 0.88,607 0.596,608 124.972,609 -0.018,610 -0.35,611 0.028,612 -0.154,613 -0.023,614 -0.064,615 -0.007,616 0.113,617 0.072,618 0.149,619 0.029,620 0.118,621 -0.078,622 -0.039,623 0.088,624 0.123,625 0.027,626 0.045,627 0.012,628 0.038,629 -0.135,630 -0.11,631 -0.009,632 -0.133,633 0.02,634 -0.078,635 0.023,636 -0.034,637 -0.007,638 0.058,639 -0.265,640 -0.107,641 -0.053,642 -0.001,643 -0.303,644 -0.08,645 -0.028,646 0.157,647 -0.105,648 0.03,649 -0.053,650 -0.069,651 0.07,652 -0.043,653 -0.06,654 -0.185,655 0.076,656 -0.186,657 1.879,658 5.523,659 0.808,660 21,661 1.023,662 1.133,663 4.43,664 19.626,665 0.697,666 3.401,667 3.761,668 4.078,669 4.357,670 4.615,671 4.718,672 4.883,673 5.043,674 5.118,675 5.136,676 5.675,677 0.672,678 394.29,679 3.401,680 4.963,681 5.838,682 6.735,683 7.629,684 8.533,685 9.435,686 10.344,687 11.251,688 12.163,689 11.6,692 2,696 1,698 2,704 3,709 3,711 6,730 2,731 43,733 10,734 1,735 29,737 46,738 17,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,752 1,761 11,762 6,766 4,771 1,773 1,774 2,775 4,778 1,781 17,782 7,784 9,785 2,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,844 1,845 2,848 26,854 5,856 1,859 3,869 2,870 4.7,873 1,874 1,877 13.333,878 8.202,879 5.611,880 2.575,881 2.185,882 1.288,883 0.991,884 4.925,885 9.771,886 3.611,887 4.167,888 4.689,889 5.192,890 5.656,891 5.885,892 6.177,893 6.522,894 6.791,895 6.968,896 1,897 44,898 9.612,900 4.157,901 7.803,902 18.215,904 15.055,905 2.303,906 59.889,909 1,910 200.109,911 83.678,912 42.699,913 78.297,914 36.145,917 83.678,918 314.551,919 42.699,920 8.825,921 18.504,922 37.905,923 43.177,924 52.212,925 1.899,926 200.109,927 78.297,928 200.109,929 126.377,930 36.145,931 78.297,933 200.109,934 25.145,935 11,937 67.026,938 49.875,939 87.774,941 200.109,942 78.844,943 161.976,946 200.109,947 36.948,948 55.981,950 147.891,951 200.109,952 78.844,953 161.976,955 0.592,956 0.357,957 0.191,958 0.106,959 22,960 10,961 0.065,962 3,963 1,964 1.095,965 3.702,966 230.859,967 0.095,968 21,969 118.211,974 17.798,975 7.195,976 3.376,978 78.844,979 5.483,984 1.825,987 440.928,988 36,993 12.523,995 1.515,996 9.019,997 1.574,999 43.996,1000 48.705,1001 0.337,1002 0.705,1003 0.856,1004 0.885,1005 0.885,1006 0.885,1007 4.894,1008 1.414,1009 5.844,1010 4.56,1011 4.443,1012 4.852,1013 2.523,1014 6.698,1015 4.278,1016 6.096,1017 1.243,1018 7.434,1019 3.387,1020 4.111,1021 4.677,1022 1.411,1023 7.667,1024 3.828,1025 7.414,1026 1.049,1027 9.126,1028 3.173,1029 6.08,1030 6.946,1031 2.657,1032 10.804,1033 5.766,1034 8.762,1035 1,1036 10.875,1037 2.632,1038 6.567,1039 7.564,1040 2.19,1041 12.595,1042 6.13,1043 10.144,1044 0.408,1045 12.66,1046 2.136,1047 8.025,1048 9.337,1049 3.026,1050 15.25,1051 7.553,1052 11.548,1053 0.043,1054 14.47,1055 1.018,1056 8.879,1057 10.324,1058 2.929,1059 17.385,1060 8.298,1061 12.969,1062 -0.314,1063 16.298,1064 0.102,1065 10.142,1066 11.889,1067 3.559,1068 19.875,1069 9.512,1070 3.276,1071 -0.527,1072 18.138,1073 -0.779,1074 11.164,1075 13.059,1076 3.677,1077 22.163,1078 10.437,1079 2.947,1080 11.399,1081 19.989,1082 -1.314,1083 12.353,1084 14.528,1085 4.197,1086 24.596,1087 11.567,1088 2.775,1089 9.467,1090 21.849,1091 3.994,1092 13.45,1093 15.792,1094 4.436,1095 26.954,1096 12.577,1097 2.391,1098 9.011,1099 23.715,1100 3.861,1101 14.615,1102 17.214,1103 4.897,1104 29.373,1105 13.677,1106 1.941,1107 7.712,1108 25.587,1109 3.243,1110 15.747,1111 18.526,1112 5.205,1113 31.764,1114 14.73,1115 1.848,1116 5.607,1117 27.464,1118 2.716,1119 16.907,1120 19.924,1121 5.635,1122 34.182,1123 15.822,1124 1.691,1125 5.368,1126 29.346,1127 2.521,1128 18.057,1129 21.263,1130 5.98,1131 36.591,1132 16.896,1133 7157,1134 13176,1135 19.304,1136 29.983,1137 44.924,1138 46.457,1139 45.843,1140 44.202,1141 44.052,1142 53.527,1143 12.312,1144 131.146,1145 40.235,1146 5.527,1147 5.835,1148 6.653,1149 5.308,1150 5.276,1151 6.994,1152 2.605,1153 18.702,1154 5.044,1155 12.659,1156 1.549,1157 1.602,1158 1.581,1159 1.524,1160 1.519,1161 1.846,1162 0.425,1163 4.522,1164 1.387,1165 4.001,1166 4.049,1167 4.129,1168 3.897,1169 7.429,1170 3.894,1171 3.875,1172 3.902,1173 3.92,1174 3.716,1175 5.04,1176 3.748,1177 3.724,1178 3.783,1179 3.635,1180 3.493,1181 4.873,1182 3.517,1183 3.438,1184 3.483,1185 3.431,1186 3.263,1187 4.624,1188 3.274,1189 3.148,1190 3.225,1191 3.349,1192 2.997,1193 4.487,1194 2.982,1195 3.111,1196 3.206,1197 3.251,1198 2.941,1199 4.383,1200 2.91,1201 2.933,1202 2.994,1203 2.956,1204 2.837,1205 4.271,1206 2.806,1207 2.899,1208 2.917,1209 2.866,1210 2.663,1211 3.811,1212 2.673,1213 0.156,1214 0.132,1215 0.236,1216 0.145,1217 0.113,1218 4.527,1219 0.138,1220 3.835,1221 0.051,1222 6.851,1223 0.393,1224 4.204,1225 0.105,1226 3.276,1227 3.994,1228 1.486,1229 11.399,1230 3.044,1231 1.902,1232 1.884,1233 1.974,1234 2.015,1235 1.208,1236 2,1237 1.777,1238 1.728,1239 1.937,1240 1.965,1241 1.164,1242 1.971,1243 1.544,1244 1.498,1245 1.719,1246 1.795,1247 0.825,1248 1.758,1249 1.498,1250 1.429,1251 1.668,1252 1.719,1253 0.816,1254 1.721,1255 1.154,1256 1.086,1257 1.513,1258 1.376,1259 0.723,1260 1.429,1261 1.153,1262 1.064,1263 1.435,1264 1.365,1265 0.6,1266 1.395,1267 0.847,1268 0.827,1269 1.061,1270 1.15,1271 0.217,1272 1.115,1273 0.796,1274 0.733,1275 0.966,1276 0.991,1277 0.084,1278 0.99,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.844,1285 8.609,1286 7.034,1287 10.292,1289 1.834,1290 12.439,1295 3.078,1297 5.373,1300 5.227,1305 28.879,1306 78.746,1307 164.469,1308 199.82,1309 206.574,1310 206.574,1311 206.574,1312 42.022,1313 7.587,1314 64.66,1315 64.66,1316 23,1317 12.678,1318 3.459,1319 3,1320 37.826,1321 87,1322 88,1323 0.213,1324 182.405,1325 326.84,1326 436.827,1327 19481,1328 4.7,1329 18.259,1330 0.702,1331 0.603,1332 19.259,1333 15.665,1334 12.542,1335 0.432,1336 0.311,1337 8.174,1338 11.38,1339 7.941,1340 6.476,1341 13.119,1342 9.028,1343 11.574,1344 0.276,1345 0.164,1346 12.279,1347 6.895,1348 10.222,1349 0.176,1350 0.091,1351 11.233,1352 5.295,1353 8.392,1354 0.109,1355 0.044,1356 8.865,1357 3.425,1358 6.969,1359 0.07,1360 0.023,1361 7.312,1362 2.302,1363 0.325,1364 85.645,1365 0.228,1366 24.629,1367 0.614,1368 142,1369 462.103,1370 190.426,1371 496.856,1372 661.56,1373 464,1374 171,1375 447.024,1376 219.514,1377 464.527,1378 691.22,1379 437,1380 6.201}
{0 CHEMBL2018215,1 1.946,2 9.37,3 4.575,4 20.928,5 107.873,6 9.69,7 0.2,8 3.928,9 4.028,10 3.758,11 3.493,12 5.031,13 3.469,14 4.487,15 4.645,16 4.162,17 3.876,18 5.584,19 3.844,20 4.667,21 4.834,22 4.369,23 4.033,24 5.826,25 3.972,26 4.71,27 4.907,28 4.194,29 4.014,30 5.822,31 3.926,32 4.657,33 4.847,34 4.202,35 3.99,36 5.726,37 3.903,38 4.688,39 4.87,40 4.335,41 3.98,42 5.876,43 3.923,44 4.622,45 4.78,46 4.277,47 3.955,48 5.876,49 3.863,50 4.546,51 4.744,52 3.975,53 3.849,54 5.656,55 3.699,56 0.132,57 0.699,58 5.531,59 3.822,60 7.094,61 4.237,62 0.505,63 1.143,64 19.283,65 6.906,66 21.682,67 7.45,68 0.63,69 1.271,70 25.194,71 8.292,72 44.261,73 9.314,74 0.717,75 1.322,76 30.401,77 8.848,78 46.604,79 10.127,80 0.549,81 1.258,82 26.522,83 8.991,84 35.541,85 10.316,86 0.722,87 1.258,88 29.293,89 8.478,90 56.809,91 8.474,92 0.779,93 1.141,94 23.846,95 8.029,96 62.485,97 8.031,98 0.598,99 0.993,100 31.34,101 9.495,102 48.541,103 10.393,104 18,105 43,106 0.338,107 0.677,108 0.816,109 0.843,110 0.843,111 0.843,112 3.341,113 1.036,114 -5.66,115 -5.53,116 -5.16,119 38.6,124 1,125 5,135 1,139 1,142 3,143 1,144 2,158 1,159 2,166 1,172 3,174 6,175 7,183 4,186 3,187 3,195 6,198 5,199 7,207 3,211 2,212 7,220 2,224 9,232 3,236 3,237 8,245 3,249 1,250 4,258 2,263 6,271 2,275 1093,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.834,282 22.724,283 10.665,284 19.353,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 12.254,291 26.878,292 4.972,293 16.322,294 3.513,295 1.565,296 0.762,297 0.608,298 0.608,299 0.608,300 4.036,301 2,304 1,305 1,306 547,307 2.646,310 55.972,311 228.979,314 102.799,318 1.421,319 29.964,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 59.167,331 253,332 4.535,333 4.492,334 6.871,335 4.204,336 3.286,337 3.995,338 3.647,339 11.501,340 3.026,341 4.31,342 3.727,343 6.344,344 3.863,345 2.947,346 3.867,347 1.366,348 9.471,349 2.68,350 4.017,351 3.434,352 6.147,353 3.692,354 2.783,355 3.265,356 1.004,357 9.052,358 2.519,359 3.604,360 3.166,361 5.859,362 3.351,363 2.412,364 2.72,365 0.88,366 7.864,367 2.242,368 3.348,369 3.08,370 5.115,371 2.864,372 1.971,373 2.532,374 0.86,375 5.805,376 1.706,377 3.274,378 2.533,379 5.02,380 2.778,381 1.864,382 2.458,383 0.692,384 5.574,385 1.673,386 2.934,387 2.5,388 4.543,389 2.638,390 1.749,391 2.029,392 0.324,393 4.593,394 1.534,395 2.867,396 2.293,397 4.217,398 2.36,399 1.414,400 1.926,401 0.168,402 3.446,403 1.285,404 2.458,405 1.974,406 3.87,407 2.181,408 1.244,409 1.394,411 3.174,412 1.147,413 2.233,414 1.711,415 3.548,416 1.958,417 1.084,418 1.181,420 2.669,421 0.946,422 2,423 1.622,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.935,430 1.839,431 1.256,432 3.237,433 1.393,434 0.537,435 0.623,436 1.169,437 0.437,438 1.452,439 1.219,440 2.85,441 1.071,442 0.319,443 0.345,445 0.605,446 0.202,447 1.36,448 1.003,449 2.641,450 0.748,451 -0.101,452 -0.125,454 -0.212,455 -0.078,456 1.049,457 0.596,458 2.585,459 0.605,460 -0.328,461 -0.443,463 -0.819,464 -0.288,465 13.429,466 0.497,467 0.678,468 0.025,469 31,470 1.148,471 12,472 0.444,473 19,474 0.704,475 26.938,476 0.998,477 29.171,478 0.663,479 22.509,480 0.834,481 5.891,482 0.218,483 7.189,484 0.266,485 0.168,487 0.35,493 0.715,494 1.471,495 0.55,496 0.93,497 0.547,498 0.877,499 0.943,500 1.061,501 0.771,502 0.893,503 0.635,504 0.778,505 0.984,506 1.186,507 0.715,508 0.798,509 0.836,510 0.864,511 0.915,512 0.954,513 1.072,514 0.969,515 0.928,516 0.984,517 0.83,518 1.117,519 0.872,520 0.994,521 0.87,522 0.968,523 1.303,524 1.034,525 0.793,526 0.814,527 1.642,528 0.787,529 1.177,530 1.003,531 0.901,532 0.898,533 1.709,534 1.038,535 0.913,536 0.905,537 1.258,538 1.235,539 0.9,540 1.132,541 5,542 0.078,543 3.556,544 2.139,545 1.814,546 1.118,547 0.77,548 0.506,549 0.28,550 0.146,551 8117,552 28024,553 2.097,554 38.6,556 17,564 1.708,565 1.952,566 3.227,567 -0.623,573 85.632,574 1.946,575 3.894,576 4.698,577 4.851,578 4.851,579 4.851,580 2.683,581 4.459,582 4.727,583 3.353,584 1177,585 8.242,586 14629,588 1,591 240.215,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.046,598 0.044,599 0.027,600 0.018,601 0.014,602 0.01,603 0.007,604 0.422,605 0.17,606 0.88,607 0.76,608 131.193,609 -0.025,610 -0.293,611 0.031,612 -0.084,613 -0.023,614 -0.05,615 -0.007,616 0.074,618 0.036,619 0.023,620 0.092,621 -0.02,622 -0.146,623 0.119,624 0.079,625 0.06,626 0.035,627 -0.031,628 0.118,629 -0.134,630 -0.034,631 -0.038,632 -0.059,633 0.002,634 -0.081,635 0.01,636 -0.038,637 -0.023,638 -0.011,639 -0.194,640 0.036,641 0.084,642 0.141,643 -0.174,644 0.11,645 -0.037,646 0.059,647 -0.012,648 0.048,649 -0.14,650 -0.157,651 0.014,652 0.055,653 -0.12,654 -0.11,655 0.082,656 -0.084,657 1.882,658 5.63,659 0.778,660 22.499,661 1.024,662 1.128,663 4.43,664 19.626,665 0.719,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.796,672 4.956,673 5.118,674 5.209,675 5.231,676 5.725,677 0.683,678 426.36,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.47,686 10.381,687 11.291,688 12.205,689 11.4,692 2,696 1,698 2,704 3,709 3,711 6,730 2,731 44,733 10,734 1,735 30,737 47,738 17,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,761 11,762 6,766 4,771 1,773 1,774 2,775 4,778 1,781 17,782 7,784 10,785 3,790 5,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,841 1,842 1,844 1,845 2,848 27,854 5,856 1,857 1,859 3,869 2,870 4.5,873 1,874 1,877 13.833,878 8.369,879 5.944,880 2.534,881 2.172,882 1.284,883 0.987,884 5.663,885 9.821,886 3.638,887 4.182,888 4.716,889 5.214,890 5.683,891 5.937,892 6.228,893 6.58,894 6.864,895 7.044,896 1,897 46,898 9.986,900 4.298,901 7.786,902 18.954,904 15.601,905 2.286,906 61.722,909 1,910 200.109,911 112.628,912 42.699,913 78.297,914 36.145,916 32.22,917 80.409,918 314.551,919 42.699,920 7.19,921 18.504,922 37.905,923 40.849,924 52.212,925 2.592,926 232.328,927 78.297,928 200.109,929 123.108,930 36.145,931 110.517,933 200.109,934 25.145,935 11,937 58.201,938 55.431,939 87.774,940 32.22,941 200.109,942 78.844,943 190.926,946 200.109,947 67.533,948 54.346,950 147.891,951 200.109,952 78.844,953 190.926,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.085,962 4,963 1,964 1.095,965 3.762,966 243.595,967 0.095,968 21,969 124.382,970 1,974 19.086,975 8.011,976 3.712,978 78.844,979 5.493,984 1.818,987 469.878,988 37,993 12.63,995 1.52,996 9.134,997 1.571,999 45.073,1000 49.625,1001 0.356,1002 0.713,1003 0.861,1004 0.889,1005 0.889,1006 0.889,1007 4.916,1008 1.414,1009 5.866,1010 4.593,1011 4.466,1012 4.868,1013 3.577,1014 6.723,1015 4.277,1016 6.112,1017 1.244,1018 7.456,1019 3.446,1020 4.111,1021 4.677,1022 2.198,1023 7.7,1024 3.796,1025 7.427,1026 1.084,1027 9.148,1028 3.174,1029 6.103,1030 6.96,1031 5.807,1032 10.837,1033 5.75,1034 8.776,1035 1,1036 10.897,1037 2.669,1038 6.581,1039 7.574,1040 4.984,1041 12.638,1042 6.098,1043 10.158,1044 0.537,1045 12.684,1046 2.136,1047 8.047,1048 9.35,1049 8.322,1050 15.295,1051 7.527,1052 11.563,1053 0.319,1054 14.495,1055 1.169,1056 8.899,1057 10.336,1058 7.834,1059 17.441,1060 8.259,1061 12.984,1062 -0.101,1063 16.324,1064 0.605,1065 10.166,1066 11.902,1067 10.865,1068 19.934,1069 9.474,1070 3.286,1071 -0.328,1072 18.166,1073 -0.212,1074 11.187,1075 13.072,1076 10.624,1077 22.233,1078 10.389,1079 2.947,1080 11.501,1081 20.019,1082 -0.819,1083 12.38,1084 14.541,1085 13.414,1086 24.673,1087 11.517,1088 2.783,1089 9.471,1090 21.879,1091 3.995,1092 13.478,1093 15.805,1094 13.367,1095 27.042,1096 12.52,1097 2.412,1098 9.052,1099 23.747,1100 3.867,1101 14.646,1102 17.226,1103 15.965,1104 29.469,1105 13.616,1106 1.971,1107 7.864,1108 25.621,1109 3.265,1110 15.78,1111 18.539,1112 16.077,1113 31.871,1114 14.661,1115 1.864,1116 5.805,1117 27.5,1118 2.72,1119 16.943,1120 19.937,1121 18.519,1122 34.297,1123 15.748,1124 1.749,1125 5.574,1126 29.384,1127 2.532,1128 18.095,1129 21.277,1130 18.763,1131 36.716,1132 16.816,1133 7780,1134 14610,1135 19.997,1136 31.631,1137 45.926,1138 50.08,1139 47.233,1140 45.297,1141 45.219,1142 54.672,1143 17.883,1144 134.116,1145 40.665,1146 5.535,1147 6.492,1148 6.673,1149 5.308,1150 5.286,1151 6.995,1152 7.117,1153 18.834,1154 5.026,1155 13.096,1156 1.531,1157 1.669,1158 1.574,1159 1.51,1160 1.507,1161 1.822,1162 0.596,1163 4.471,1164 1.356,1165 3.994,1166 4.038,1167 4.135,1168 3.898,1169 7.429,1170 3.892,1171 3.874,1172 3.902,1173 3.996,1174 3.72,1175 5.04,1176 3.745,1177 3.714,1178 3.769,1179 3.747,1180 3.507,1181 4.862,1182 3.51,1183 3.409,1184 3.442,1185 3.533,1186 3.31,1187 4.62,1188 3.267,1189 3.181,1190 3.255,1191 3.426,1192 3.072,1193 4.487,1194 3.019,1195 3.111,1196 3.206,1197 3.294,1198 2.941,1199 4.359,1200 2.91,1201 3,1202 3.074,1203 3.113,1204 2.838,1205 4.27,1206 2.806,1207 2.9,1208 2.926,1209 2.918,1210 2.798,1211 3.844,1212 2.793,1213 0.151,1214 0.15,1215 0.229,1216 0.14,1217 0.11,1218 4.535,1219 0.133,1220 4.492,1221 0.122,1222 6.871,1223 0.383,1224 4.204,1225 0.101,1226 3.286,1227 3.995,1228 3.647,1229 11.501,1230 3.026,1231 1.901,1232 1.883,1233 1.971,1234 2.015,1235 1.208,1236 1.999,1237 1.777,1238 1.728,1239 1.937,1240 1.961,1241 1.162,1242 1.969,1243 1.544,1244 1.498,1245 1.668,1246 1.792,1247 0.825,1248 1.757,1249 1.415,1250 1.374,1251 1.549,1252 1.597,1253 0.773,1254 1.614,1255 1.185,1256 1.118,1257 1.513,1258 1.389,1259 0.703,1260 1.447,1261 1.153,1262 1.064,1263 1.474,1264 1.376,1265 0.626,1266 1.429,1267 0.889,1268 0.827,1269 1.07,1270 1.203,1271 0.217,1272 1.169,1273 0.847,1274 0.814,1275 0.983,1276 1.026,1277 0.092,1278 1.029,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.844,1285 8.634,1286 7.05,1287 10.317,1289 1.908,1290 12.504,1295 3.055,1297 5.387,1298 1.443,1300 5.259,1305 30.066,1306 85.632,1307 171.354,1308 206.705,1309 213.46,1310 213.46,1311 213.46,1312 44.797,1313 7.649,1314 64.66,1315 89.96,1316 23,1317 12.719,1318 3.459,1319 3,1320 39.901,1321 91,1322 94,1323 0.215,1324 193.536,1325 345.35,1326 463.987,1327 20709,1328 4.5,1329 18.966,1330 0.702,1331 0.626,1332 20.319,1333 16.89,1334 13.08,1335 0.436,1336 0.345,1337 8.394,1338 11.454,1339 8.035,1340 6.561,1341 14.215,1342 10.365,1343 11.766,1344 0.274,1345 0.177,1346 12.936,1347 7.608,1348 10.552,1349 0.176,1350 0.099,1351 12.06,1352 5.926,1353 8.67,1354 0.108,1355 0.049,1356 9.609,1357 3.94,1358 7.197,1359 0.069,1360 0.026,1361 8.055,1362 2.701,1363 0.327,1364 94.45,1365 0.224,1366 25.367,1367 0.624,1368 146,1369 480.964,1370 214.481,1371 534.96,1372 709.76,1373 500,1374 176,1375 464.738,1376 240.158,1377 494.901,1378 736.83,1379 463,1380 5.796}
{0 CHEMBL2018216,1 1.788,2 9.393,3 4.131,4 17.066,5 107.206,6 8.943,7 0.188,8 3.998,9 4.107,10 3.73,11 3.536,12 5.051,13 3.533,14 4.566,15 4.734,16 4.119,17 3.924,18 5.616,19 3.899,20 4.776,21 4.973,22 4.335,23 4.06,24 5.875,25 4.013,26 4.779,27 4.984,28 4.164,29 4.048,30 5.855,31 3.988,32 4.768,33 4.972,34 4.124,35 4.041,36 5.773,37 3.98,38 4.814,39 5.005,40 4.275,41 4.059,42 5.959,43 4.035,44 4.775,45 4.949,46 4.238,47 4.048,48 5.964,49 3.981,50 4.698,51 4.91,52 4.03,53 3.962,54 5.75,55 3.838,56 0.108,57 0.738,58 7.123,59 3.994,60 6.277,61 4.866,62 0.459,63 1.186,64 17.501,65 6.92,66 22.7,67 8.517,68 0.648,69 1.357,70 30.915,71 8.827,72 47.607,73 11.1,74 0.703,75 1.376,76 29.853,77 8.335,78 47.152,79 10.773,80 0.528,81 1.357,82 28.376,83 9.005,84 37.313,85 11.756,86 0.71,87 1.368,88 27.195,89 8.366,90 61.788,91 10.097,92 0.816,93 1.263,94 26.474,95 8.501,96 70.352,97 10.148,98 0.618,99 1.078,100 32.3,101 9.642,102 54.428,103 12.201,104 10,105 47,106 0.305,107 0.653,108 0.807,109 0.832,110 0.832,111 0.832,112 3.376,113 0.95,114 -6.11,115 -5.96,116 -5.54,119 40.4,121 2,122 1,125 5,135 1,139 1,142 3,143 1,144 2,158 2,159 1,166 1,172 6,174 6,175 7,183 4,186 3,187 7,195 6,198 5,199 9,207 3,211 2,212 9,220 4,224 11,232 7,236 3,237 10,245 7,249 1,250 4,258 6,263 6,271 2,275 1228,276 19.154,277 19.154,278 19.154,279 19.154,280 19.154,281 17.643,282 25.559,283 11.062,284 19.844,285 15.793,286 15.793,287 15.793,288 15.793,289 15.793,290 13.366,291 32.084,292 5.266,293 17.065,294 3.767,295 1.731,296 0.825,297 0.681,298 0.681,299 0.681,300 4.076,301 2,304 1,305 1,306 586,307 2.55,308 40.003,310 57.508,311 237.469,314 106.39,318 1.393,319 31.063,322 0.75,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.87,330 61.167,331 263,332 4.565,333 3.866,334 6.948,335 4.268,336 3.333,337 3.999,338 1.486,339 11.786,340 3.121,341 4.31,342 3.471,343 6.346,344 3.869,345 2.948,346 3.885,347 1.222,348 9.531,349 2.769,350 4.104,351 3.379,352 6.269,353 3.82,354 2.874,355 3.356,356 0.98,357 9.338,358 2.654,359 3.715,360 3.131,361 6.037,362 3.569,363 2.624,364 2.786,365 0.86,366 8.598,367 2.457,368 3.521,369 2.856,370 5.585,371 3.233,372 2.275,373 2.678,374 0.842,375 7.125,376 2.154,377 3.275,378 2.511,379 5.02,380 2.835,381 1.909,382 2.504,383 0.586,384 5.593,385 1.69,386 3.042,387 2.327,388 4.727,389 2.735,390 1.823,391 2.05,392 0.181,393 4.851,394 1.656,395 2.867,396 2.029,397 4.543,398 2.432,399 1.501,400 2.029,402 4.441,403 1.391,404 2.836,405 1.916,406 4.145,407 2.359,408 1.414,409 1.806,411 3.339,412 1.284,413 2.457,414 1.701,415 3.869,416 2.174,417 1.242,418 1.391,420 3.172,421 1.141,422 2.22,423 1.528,424 3.538,425 1.952,426 1.018,427 1.149,428 2.613,429 0.946,430 2,431 1.256,432 3.247,433 1.921,434 1,435 1,436 2.136,437 0.908,438 1.675,439 1.173,440 3.217,441 1.269,442 0.4,443 0.446,445 1.005,446 0.296,447 1.406,448 0.789,449 2.833,450 0.883,451 0.039,452 0.047,454 0.097,455 0.029,456 1.055,457 0.183,458 2.636,459 0.605,460 -0.307,461 -0.384,463 -0.761,464 -0.26,465 13.595,466 0.486,467 0.73,468 0.026,469 32,470 1.143,471 12,472 0.429,473 20,474 0.714,475 27.284,476 0.974,477 30.205,478 0.643,479 23.543,480 0.841,481 6.149,482 0.22,483 7.465,484 0.267,485 0.13,487 0.382,493 0.686,494 1.502,495 0.523,496 1.014,497 0.512,498 0.902,499 0.91,500 1.083,501 0.656,502 0.829,503 0.613,504 0.863,505 0.973,506 1.175,507 0.713,508 0.795,509 0.807,510 0.81,511 0.95,512 0.961,513 1.054,514 0.926,515 0.925,516 0.966,517 0.832,518 1.156,519 0.873,520 1.037,521 0.858,522 0.997,523 1.314,524 1.005,525 0.751,526 0.769,527 1.78,528 0.8,529 1.212,530 1.039,531 1.024,532 0.975,533 1.737,534 1.081,535 0.92,536 0.851,537 1.195,538 1.098,539 0.908,540 1.101,541 5,542 0.071,543 3.389,544 2.014,545 1.734,546 1.069,547 0.77,548 0.56,549 0.313,550 0.134,551 9410,552 28337,553 2.177,554 40.4,555 4,556 14,560 1,564 1.718,565 2.049,566 3.218,567 -0.671,569 1,573 84.035,574 1.788,575 3.824,576 4.73,577 4.874,578 4.874,579 4.874,580 2.67,581 4.522,582 4.779,583 3.352,584 1267.01,585 8.354,586 16122.4,588 1,590 1,591 261.066,592 1.375,593 4.745,594 0.156,595 0.005,596 0.077,597 0.042,598 0.039,599 0.024,600 0.016,601 0.014,602 0.01,603 0.006,604 0.39,605 0.17,606 0.75,607 0.517,608 137.373,609 -0.005,610 -0.283,611 0.032,612 -0.119,613 0.011,614 -0.039,615 0.008,616 0.052,617 0.032,618 0.053,619 0.035,620 0.013,621 0.002,622 -0.126,623 0.174,624 0.132,625 0.076,626 0.119,627 -0.046,628 0.139,629 -0.139,630 -0.02,631 -0.038,632 -0.059,633 -0.015,634 -0.108,635 -0.045,636 -0.106,637 -0.039,638 -0.046,639 -0.187,640 0.055,641 0.036,642 0.123,643 -0.204,644 0.09,645 -0.053,646 0.009,647 -0.104,648 -0.042,649 -0.154,650 -0.183,651 0.014,652 0.075,653 -0.062,654 -0.057,655 0.063,656 -0.071,657 1.843,658 5.766,659 0.857,660 23.714,661 1.019,662 1.13,663 4.881,664 23.82,665 0.697,666 3.497,667 3.871,668 4.174,669 4.477,670 4.762,671 4.942,672 5.136,673 5.293,674 5.407,675 5.464,676 5.761,677 0.668,678 420.33,679 3.497,680 5.069,681 5.958,682 6.866,683 7.774,684 8.691,685 9.609,686 10.532,687 11.455,688 12.382,689 10.6,692 2,696 1,698 2,704 3,709 3,711 6,730 2,731 47,733 10,734 1,735 32,737 51,738 19,739 6,740 3,741 3,742 4,746 5,747 6,748 2,750 1,755 2,756 1,758 2,761 11,762 8,763 1,766 4,771 1,773 1,774 2,775 4,778 1,781 19,782 7,784 9,785 2,790 5,791 1,794 0.8,795 2,809 1,811 1,812 3,815 1,831 1,836 2,839 1,840 4,845 2,848 28,854 7,856 1,858 1,859 3,869 2,870 4.3,873 1,874 1,877 13.667,878 8.536,879 5.972,880 2.992,881 2.141,882 1.274,883 1.011,884 4.831,885 9.957,886 3.689,887 4.241,888 4.76,889 5.267,890 5.736,891 6.025,892 6.345,893 6.699,894 7.01,895 7.22,896 1,897 48,898 10.401,900 4.616,901 7.722,902 20.007,904 17.259,905 2.222,906 62.222,909 1,910 223.651,911 79.922,912 42.699,913 78.297,914 36.145,917 79.922,918 338.093,919 42.699,921 23.573,922 37.905,923 43.177,924 52.212,925 1.899,926 223.651,927 78.297,928 223.651,929 122.621,930 36.145,931 78.297,933 223.651,934 25.145,935 11,937 63.27,938 49.875,939 87.774,941 223.651,942 78.844,943 158.22,946 223.651,947 42.017,948 47.155,950 147.891,951 223.651,952 78.844,953 158.22,955 0.594,956 0.344,957 0.186,958 0.103,959 26,960 11,961 0.078,962 4,963 1,964 1.083,965 3.935,966 265.072,967 0.083,968 24,969 128.606,974 18.432,975 7.338,976 3.579,978 78.844,979 5.573,984 1.905,987 460.714,988 39,993 12.766,995 1.554,996 9.391,997 1.894,999 47.88,1000 53.12,1001 0.322,1002 0.688,1003 0.852,1004 0.877,1005 0.877,1006 0.877,1007 4.987,1008 1.501,1009 5.964,1010 4.851,1011 4.554,1012 4.927,1013 2.523,1014 6.834,1015 4.408,1016 6.193,1017 1.414,1018 7.563,1019 4.441,1020 4.29,1021 4.783,1022 1.411,1023 7.865,1024 4.06,1025 7.515,1026 1.242,1027 9.263,1028 3.339,1029 6.221,1030 7.015,1031 2.657,1032 10.983,1033 5.949,1034 8.867,1035 1.018,1036 11.021,1037 3.172,1038 6.746,1039 7.648,1040 2.19,1041 12.812,1042 6.387,1043 10.251,1044 1,1045 12.815,1046 2.613,1047 8.19,1048 9.403,1049 3.026,1050 15.474,1051 7.79,1052 11.658,1053 0.4,1054 14.633,1055 2.136,1056 9.066,1057 10.398,1058 2.929,1059 17.639,1060 8.581,1061 13.081,1062 0.039,1063 16.468,1064 1.005,1065 10.327,1066 11.954,1067 3.559,1068 20.148,1069 9.794,1070 3.333,1071 -0.307,1072 18.317,1073 0.097,1074 11.362,1075 13.128,1076 3.677,1077 22.465,1078 10.75,1079 2.948,1080 11.786,1081 20.175,1082 -0.761,1083 12.557,1084 14.591,1085 4.197,1086 24.925,1087 11.89,1088 2.874,1089 9.531,1090 22.043,1091 3.999,1092 13.665,1093 15.858,1094 4.436,1095 27.314,1096 12.925,1097 2.624,1098 9.338,1099 23.917,1100 3.885,1101 14.84,1102 17.276,1103 4.897,1104 29.763,1105 14.04,1106 2.275,1107 8.598,1108 25.798,1109 3.356,1110 15.983,1111 18.59,1112 5.205,1113 32.188,1114 15.114,1115 1.909,1116 7.125,1117 27.683,1118 2.786,1119 17.156,1120 19.987,1121 5.635,1122 34.638,1123 16.224,1124 1.823,1125 5.593,1126 29.574,1127 2.678,1128 18.318,1129 21.327,1130 5.98,1131 37.08,1132 17.32,1133 8729,1134 15298,1135 21.789,1136 32.745,1137 49.864,1138 51.616,1139 50.609,1140 48.904,1141 48.802,1142 58.253,1143 12.312,1144 147.247,1145 44.99,1146 5.565,1147 5.866,1148 6.75,1149 5.372,1150 5.333,1151 6.999,1152 2.605,1153 19.315,1154 5.121,1155 11.562,1156 1.558,1157 1.613,1158 1.582,1159 1.528,1160 1.525,1161 1.82,1162 0.385,1163 4.601,1164 1.406,1165 4.04,1166 4.091,1167 4.131,1168 3.915,1169 7.429,1170 3.918,1171 3.886,1172 3.907,1173 3.956,1174 3.811,1175 5.04,1176 3.809,1177 3.832,1178 3.885,1179 3.734,1180 3.664,1181 4.871,1182 3.681,1183 3.662,1184 3.716,1185 3.562,1186 3.435,1187 4.624,1188 3.459,1189 3.321,1190 3.372,1191 3.427,1192 3.147,1193 4.487,1194 3.156,1195 3.111,1196 3.206,1197 3.302,1198 2.941,1199 4.407,1200 2.91,1201 3.023,1202 3.088,1203 3.165,1204 2.843,1205 4.273,1206 2.849,1207 2.901,1208 2.927,1209 2.926,1210 2.835,1211 4.059,1212 2.806,1213 0.143,1214 0.121,1215 0.217,1216 0.133,1217 0.104,1218 4.565,1219 0.125,1220 3.866,1221 0.046,1222 6.948,1223 0.368,1224 4.268,1225 0.098,1226 3.333,1227 3.999,1228 1.486,1229 11.786,1230 3.121,1231 1.901,1232 1.883,1233 1.973,1234 2.015,1235 1.208,1236 1.999,1237 1.777,1238 1.728,1239 1.937,1240 1.963,1241 1.167,1242 1.97,1243 1.544,1244 1.498,1245 1.669,1246 1.793,1247 0.901,1248 1.757,1249 1.458,1250 1.404,1251 1.595,1252 1.66,1253 0.825,1254 1.642,1255 1.153,1256 1.078,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.741,1266 1.429,1267 1.136,1268 1.064,1269 1.393,1270 1.325,1271 0.624,1272 1.349,1273 0.847,1274 0.827,1275 1.062,1276 1.139,1277 0.217,1278 1.111,1279 4.174,1280 1.946,1281 5.533,1282 3.932,1283 7.094,1284 5.9,1285 8.743,1286 7.856,1287 10.439,1290 12.609,1295 5.291,1297 5.412,1299 0.353,1300 5.474,1305 31.406,1306 84.035,1307 179.707,1308 222.311,1309 229.066,1310 229.066,1311 229.066,1312 44.676,1313 7.816,1314 64.66,1315 64.66,1316 26,1317 12.887,1318 3.459,1319 3,1320 37.326,1321 94,1322 101,1323 0.192,1324 194.196,1325 349.08,1326 465.598,1327 24648,1328 4.3,1329 19.25,1330 0.688,1331 0.595,1332 20.25,1333 16.657,1334 13.614,1335 0.425,1336 0.317,1337 9.279,1338 12.465,1339 9.091,1340 7.367,1341 14.192,1342 10.133,1343 12.598,1344 0.268,1345 0.17,1346 13.303,1347 7.981,1348 10.88,1349 0.17,1350 0.091,1351 11.891,1352 5.793,1353 9.086,1354 0.104,1355 0.044,1356 9.558,1357 3.867,1358 7.548,1359 0.065,1360 0.023,1361 7.891,1362 2.638,1363 0.29,1364 92.08,1365 0.214,1366 26.101,1367 0.56,1368 158,1369 478.103,1370 206.426,1371 512.885,1372 688.62,1373 480,1374 193,1375 471.024,1376 242.18,1377 488.363,1378 731.85,1379 461,1380 5.602}
{0 CHEMBL2018217,1 1.798,2 9.444,3 3.751,4 14.069,5 104.225,6 8.877,7 0.2,8 3.961,9 4.073,10 3.681,11 3.476,12 5.049,13 3.473,14 4.535,15 4.708,16 4.116,17 3.88,18 5.618,19 3.866,20 4.762,21 4.945,22 4.31,23 4.049,24 5.893,25 4.003,26 4.8,27 5.018,28 4.1,29 4.035,30 5.857,31 3.951,32 4.757,33 4.983,34 4.049,35 3.976,36 5.78,37 3.901,38 4.747,39 4.943,40 4.151,41 3.941,42 5.916,43 3.904,44 4.666,45 4.864,46 4.091,47 3.883,48 5.857,49 3.82,50 4.563,51 4.769,52 3.849,53 3.77,54 5.705,55 3.669,56 0.109,57 0.71,58 7.16,59 3.855,60 7.238,61 4.772,62 0.454,63 1.135,64 17.852,65 6.653,66 23.022,67 8.365,68 0.707,69 1.314,70 29.836,71 8.423,72 51.268,73 10.32,74 0.702,75 1.341,76 31.736,77 9.063,78 47.934,79 12.104,80 0.542,81 1.272,82 30.616,83 9.264,84 42.256,85 12.511,86 0.723,87 1.232,88 26.244,89 7.61,90 67.992,91 9.355,92 0.761,93 1.099,94 27.755,95 7.524,96 57.247,97 9.627,98 0.614,99 0.943,100 26.05,101 7.667,102 58.329,103 9.574,104 26,105 44,106 0.31,107 0.662,108 0.845,109 0.886,110 0.886,111 0.886,112 3.341,113 0.946,114 -5.89,115 -5.74,116 -5.35,119 39.1,120 2,125 4,127 1,135 1,139 1,142 3,143 1,144 2,158 2,159 1,166 1,172 3,174 6,175 8,183 4,186 3,187 4,195 6,198 5,199 7,207 3,211 2,212 8,220 3,224 9,232 3,236 3,237 11,245 3,249 1,250 5,258 2,263 6,271 4,275 1093,276 17.947,277 17.947,278 17.947,279 17.947,280 17.947,281 16.359,282 24.212,283 10.263,284 18.654,285 14.772,286 14.772,287 14.772,288 14.772,289 14.772,290 12.317,291 30.61,292 4.869,293 16.066,294 3.726,295 1.682,296 0.614,297 0.381,298 0.381,299 0.381,300 4.033,301 2,304 1,305 1,306 551,307 2.55,310 56.394,311 229.187,314 102.452,318 1.498,319 30.144,322 0.75,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.84,330 59.167,331 255,332 4.528,333 3.835,334 6.851,335 4.205,336 3.277,337 3.994,338 1.486,339 11.4,340 3.044,341 4.31,342 3.448,343 6.344,344 3.866,345 2.949,346 3.862,347 1.222,348 9.474,349 2.688,350 4.015,351 3.292,352 6.158,353 3.732,354 2.816,355 3.248,356 0.98,357 9.102,358 2.566,359 3.627,360 3.175,361 5.827,362 3.384,363 2.431,364 2.737,365 0.86,366 7.74,367 2.296,368 3.367,369 2.708,370 5.062,371 3.106,372 2.182,373 2.528,374 0.842,375 6.09,376 2.005,377 3.276,378 2.501,379 5.02,380 2.85,381 1.93,382 2.458,383 0.586,384 5.603,385 1.695,386 3.204,387 2.44,388 4.964,389 2.69,390 1.758,391 2.244,392 0.181,393 5.295,394 1.631,395 2.867,396 1.966,397 4.384,398 2.367,399 1.414,400 2.029,402 4.031,403 1.339,404 2.565,405 1.717,406 4.097,407 2.358,408 1.414,409 1.531,411 3.238,412 1.284,413 2.424,414 1.63,415 3.867,416 2.136,417 1.19,418 1.342,420 3.145,421 1.109,422 2.135,423 1.523,424 3.476,425 1.945,426 1.042,427 1.109,428 2.509,429 0.93,430 1.706,431 1.182,432 3.203,433 1.284,434 0.408,435 0.458,436 1.022,437 0.308,438 1.407,439 0.816,440 2.776,441 0.874,442 0.043,443 0.053,445 0.103,446 0.031,447 1.056,448 0.201,449 2.641,450 0.605,451 -0.314,452 -0.393,454 -0.778,455 -0.267,456 0.761,457 0.026,458 2.372,459 0.529,460 -0.397,461 -0.418,463 -0.887,464 -0.366,465 13.095,466 0.485,467 0.822,468 0.03,469 31,470 1.148,471 12,472 0.444,473 19,474 0.704,475 26.588,476 0.985,477 29.505,478 0.641,479 23.349,480 0.865,481 6.2,482 0.23,483 6.735,484 0.249,485 0.211,487 0.397,493 0.699,494 1.577,495 0.534,496 1.055,497 0.567,498 0.937,499 0.893,500 1.051,501 0.595,502 0.759,503 0.593,504 0.758,505 1.178,506 1.132,507 0.8,508 0.806,509 0.896,510 0.874,511 0.836,512 0.975,513 1.02,514 0.995,515 0.836,516 1.036,517 0.75,518 1.114,519 0.815,520 1.004,521 0.803,522 0.947,523 1.4,524 1.086,525 0.827,526 0.832,527 1.917,528 0.9,529 1.06,530 0.991,531 1.037,532 0.966,533 1.251,534 0.992,535 1.118,536 0.903,537 1.09,538 1.066,539 1.362,540 1.113,541 6,542 0.099,543 3.778,544 2.326,545 1.96,546 1.063,547 0.735,548 0.54,549 0.315,550 0.156,551 8235,552 26254,553 2.075,554 41.3,556 13,560 3,561 3,564 1.706,565 1.906,566 3.254,567 -0.659,569 1,573 82.705,574 1.798,575 3.842,576 4.909,577 5.143,578 5.143,579 5.143,580 2.696,581 4.681,582 4.727,583 3.397,584 1192.22,585 8.232,586 14834.1,588 1,590 1,591 254.084,592 1.506,593 4.668,594 0.2,595 0.007,596 0.086,597 0.051,598 0.049,599 0.027,600 0.018,601 0.015,602 0.012,603 0.008,604 0.472,605 0.33,606 0.88,607 0.627,608 131.619,609 -0.007,610 -0.334,611 0.03,612 -0.147,613 -0.037,614 -0.06,615 0.036,616 0.091,617 0.101,618 0.126,619 0.063,620 0.125,621 -0.108,622 -0.06,623 0.069,624 0.114,625 0.007,626 0.027,627 0.01,628 0.08,629 -0.111,630 -0.064,631 0.003,632 -0.089,633 0.048,634 -0.116,635 0.037,636 -0.053,637 0.022,638 0.041,639 -0.232,640 -0.036,641 -0.02,642 0.054,643 -0.282,644 -0.016,645 0.037,646 0.042,647 -0.056,648 -0.029,649 0.02,650 -0.072,651 -0.063,652 0.06,653 -0.105,654 -0.084,655 -0.035,656 -0.14,657 1.881,658 5.605,659 0.778,660 22.316,661 1.019,662 1.133,663 4.658,664 21.693,665 0.69,666 3.434,667 3.807,668 4.111,669 4.394,670 4.654,671 4.762,672 4.927,673 5.094,674 5.193,675 5.22,676 5.847,677 0.661,678 408.32,679 3.434,680 5.004,681 5.878,682 6.779,683 7.672,684 8.578,685 9.479,686 10.389,687 11.295,688 12.207,689 10.9,692 2,696 1,698 2,704 3,709 3,711 6,730 2,731 46,733 10,734 1,735 30,737 49,738 18,739 6,740 3,741 3,742 4,746 4,747 5,748 2,750 1,752 2,755 1,758 1,761 11,762 7,766 4,771 1,773 1,774 2,775 4,778 1,781 19,782 7,784 9,785 2,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,844 2,845 2,848 27,854 4,856 1,858 1,859 3,869 2,870 4.3,873 1,874 1,877 14.167,878 9.036,879 5.778,880 2.798,881 2.172,882 1.283,883 0.982,884 5.162,885 9.86,886 3.638,887 4.197,888 4.707,889 5.209,890 5.673,891 5.905,892 6.204,893 6.545,894 6.832,895 7.007,896 1,897 46,898 9.992,900 4.322,901 7.786,902 18.972,904 15.734,905 2.286,906 61.722,909 1,910 223.651,911 87.911,912 42.699,913 78.297,914 36.145,917 87.911,918 338.093,919 42.699,920 17.65,921 13.911,922 37.905,923 43.177,924 52.212,925 1.899,926 223.651,927 78.297,928 223.651,929 130.61,930 36.145,931 78.297,933 188.338,934 60.458,935 11,937 71.259,938 49.875,939 87.774,941 223.651,942 78.844,943 166.209,946 223.651,947 32.356,948 64.806,950 147.891,951 223.651,952 78.844,953 166.209,955 0.597,956 0.357,957 0.189,958 0.106,959 23,960 11,961 0.061,962 3,963 1,964 1.095,965 3.752,966 243.472,967 0.095,968 21,969 128.382,974 18.751,975 7.433,976 3.591,978 78.844,979 5.487,984 1.821,987 468.703,988 37,993 12.605,995 1.522,996 9.068,997 1.565,999 46.88,1000 52.12,1001 0.326,1002 0.696,1003 0.889,1004 0.931,1005 0.931,1006 0.931,1007 4.931,1008 1.414,1009 5.894,1010 5.295,1011 4.489,1012 4.883,1013 2.523,1014 6.751,1015 4.327,1016 6.138,1017 1.414,1018 7.488,1019 4.031,1020 4.205,1021 4.732,1022 1.411,1023 7.716,1024 3.928,1025 7.457,1026 1.19,1027 9.179,1028 3.238,1029 6.133,1030 6.969,1031 2.657,1032 10.843,1033 5.82,1034 8.804,1035 1.042,1036 10.925,1037 3.145,1038 6.635,1039 7.589,1040 2.19,1041 12.62,1042 6.2,1043 10.183,1044 0.408,1045 12.706,1046 2.509,1047 8.074,1048 9.35,1049 3.026,1050 15.275,1051 7.602,1052 11.582,1053 0.043,1054 14.51,1055 1.022,1056 8.931,1057 10.336,1058 2.929,1059 17.402,1060 8.349,1061 12.999,1062 -0.314,1063 16.332,1064 0.103,1065 10.184,1066 11.897,1067 3.559,1068 19.891,1069 9.553,1070 3.277,1071 -0.397,1072 18.168,1073 -0.778,1074 11.204,1075 13.066,1076 3.677,1077 22.175,1078 10.476,1079 2.949,1080 11.4,1081 20.015,1082 -0.887,1083 12.389,1084 14.533,1085 4.197,1086 24.608,1087 11.6,1088 2.816,1089 9.474,1090 21.871,1091 3.994,1092 13.483,1093 15.796,1094 4.436,1095 26.964,1096 12.608,1097 2.431,1098 9.102,1099 23.734,1100 3.862,1101 14.645,1102 17.216,1103 4.897,1104 29.382,1105 13.705,1106 2.182,1107 7.74,1108 25.604,1109 3.248,1110 15.775,1111 18.529,1112 5.205,1113 31.772,1114 14.756,1115 1.93,1116 6.09,1117 27.479,1118 2.737,1119 16.933,1120 19.926,1121 5.635,1122 34.189,1123 15.845,1124 1.758,1125 5.603,1126 29.359,1127 2.528,1128 18.08,1129 21.265,1130 5.98,1131 36.597,1132 16.918,1133 7895,1134 14264,1135 19.709,1136 31.745,1137 46.792,1138 48.331,1139 48.109,1140 45.846,1141 45.711,1142 55.186,1143 12.312,1144 137.503,1145 41.854,1146 5.528,1147 5.835,1148 6.404,1149 5.31,1150 5.277,1151 6.994,1152 2.605,1153 18.703,1154 5.044,1155 14.686,1156 1.56,1157 1.611,1158 1.604,1159 1.528,1160 1.524,1161 1.84,1162 0.41,1163 4.583,1164 1.395,1165 4.003,1166 4.051,1167 4.129,1168 3.898,1169 7.429,1170 3.894,1171 3.879,1172 3.906,1173 3.923,1174 3.725,1175 5.04,1176 3.754,1177 3.752,1178 3.806,1179 3.667,1180 3.533,1181 4.874,1182 3.557,1183 3.458,1184 3.508,1185 3.438,1186 3.29,1187 4.64,1188 3.3,1189 3.261,1190 3.348,1191 3.362,1192 3.086,1193 4.487,1194 3.064,1195 3.148,1196 3.225,1197 3.255,1198 2.997,1199 4.387,1200 2.982,1201 2.975,1202 3.053,1203 3.052,1204 2.837,1205 4.271,1206 2.806,1207 2.899,1208 2.917,1209 2.947,1210 2.693,1211 3.819,1212 2.708,1213 0.151,1214 0.128,1215 0.228,1216 0.14,1217 0.109,1218 4.528,1219 0.133,1220 3.835,1221 0.05,1222 6.851,1223 0.38,1224 4.205,1225 0.101,1226 3.277,1227 3.994,1228 1.486,1229 11.4,1230 3.044,1231 1.902,1232 1.884,1233 1.977,1234 2.025,1235 1.24,1236 2.009,1237 1.794,1238 1.746,1239 1.963,1240 1.968,1241 1.165,1242 1.978,1243 1.582,1244 1.54,1245 1.719,1246 1.816,1247 0.906,1248 1.782,1249 1.498,1250 1.429,1251 1.712,1252 1.72,1253 0.816,1254 1.721,1255 1.296,1256 1.211,1257 1.613,1258 1.522,1259 0.732,1260 1.564,1261 1.154,1262 1.085,1263 1.436,1264 1.365,1265 0.606,1266 1.396,1267 0.916,1268 0.827,1269 1.299,1270 1.225,1271 0.467,1272 1.245,1273 0.847,1274 0.824,1275 0.967,1276 1.001,1277 0.114,1278 0.99,1279 4.111,1281 5.468,1282 2.398,1283 7.018,1284 4.844,1285 8.657,1286 7.034,1287 10.34,1289 3.843,1290 12.469,1295 2.415,1297 5.581,1299 0.093,1300 5.252,1305 30.406,1306 82.705,1307 176.726,1308 225.819,1309 236.574,1310 236.574,1311 236.574,1312 46.06,1313 7.688,1314 64.66,1315 64.66,1316 23,1317 12.722,1318 3.459,1319 3,1320 39.994,1321 93,1322 88,1323 0.21,1324 191.997,1325 344.14,1326 460.233,1327 22100,1328 4.3,1329 19.129,1330 0.708,1331 0.612,1332 20.129,1333 16.536,1334 12.936,1335 0.431,1336 0.315,1337 8.61,1338 11.779,1339 8.316,1340 6.815,1341 13.513,1342 9.46,1343 12.208,1344 0.277,1345 0.169,1346 12.912,1347 7.423,1348 10.549,1349 0.176,1350 0.092,1351 11.56,1352 5.525,1353 8.696,1354 0.109,1355 0.046,1356 9.169,1357 3.659,1358 7.198,1359 0.069,1360 0.024,1361 7.541,1362 2.459,1363 0.322,1364 87.916,1365 0.225,1366 25.43,1367 0.604,1368 148,1369 468.103,1370 197.091,1371 503.579,1372 672.46,1373 470,1374 178,1375 458.933,1376 227.013,1377 476.207,1378 707.94,1379 448,1380 6.248}
{0 CHEMBL2018218,1 1.903,2 9.37,3 4.737,4 22.436,5 109.235,6 10.458,7 0.4,8 3.833,9 3.924,10 3.73,11 3.491,12 5.039,13 3.461,14 4.321,15 4.451,16 4.132,17 3.86,18 5.526,19 3.824,20 4.491,21 4.624,22 4.347,23 3.991,24 5.767,25 3.937,26 4.557,27 4.724,28 4.168,29 3.947,30 5.766,31 3.878,32 4.495,33 4.65,34 4.177,35 3.94,36 5.68,37 3.866,38 4.555,39 4.722,40 4.309,41 3.953,42 5.825,43 3.891,44 4.475,45 4.62,46 4.246,47 3.918,48 5.787,49 3.825,50 4.372,51 4.548,52 3.925,53 3.798,54 5.587,55 3.655,56 0.108,57 0.619,58 3.087,59 2.991,60 5.619,61 3.142,62 0.32,63 1.033,64 12.676,65 5.66,66 13.193,67 5.627,68 0.406,69 1.117,70 16.06,71 6.526,72 36.71,73 6.693,74 0.57,75 1.2,76 23.356,77 7.444,78 39.623,79 6.811,80 0.413,81 1.123,82 18.498,83 7.251,84 28.074,85 7.219,86 0.558,87 1.174,88 22.858,89 7.916,90 47.485,91 6.944,92 0.55,93 1.046,94 17.307,95 7.05,96 48.524,97 6.296,98 0.428,99 0.878,100 22.819,101 7.95,102 44.552,103 8.502,104 18,105 43,106 0.332,107 0.697,108 0.814,109 0.865,110 0.865,111 0.865,112 3.341,113 0.994,114 -5.61,115 -5.48,116 -5.11,119 45,124 1,125 1,135 1,138 1,142 5,143 2,144 2,145 2,158 1,159 2,166 1,172 5,174 5,175 9,183 6,186 2,187 6,195 8,198 2,199 10,207 3,211 1,212 14,220 2,224 9,232 5,236 3,237 7,245 8,249 1,250 2,258 6,263 4,271 8,275 1093,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.121,282 17.858,283 10.665,284 19.155,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 11.284,291 21.98,292 4.972,293 16.012,294 3.419,295 1.33,296 0.659,297 0.369,298 0.369,299 0.369,300 4.036,301 2,304 1,305 1,306 547,307 2.646,310 55.972,311 228.979,314 102.799,318 1.421,319 27.865,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 58.167,331 253,332 4.545,333 4.492,334 6.871,335 4.208,336 3.286,337 4.005,338 3.647,339 11.501,340 3.048,341 4.315,342 3.718,343 6.344,344 3.87,345 2.947,346 3.938,347 1.356,348 9.471,349 2.733,350 4.134,351 3.433,352 6.147,353 3.739,354 2.783,355 3.573,356 0.999,357 9.052,358 2.615,359 3.701,360 3.148,361 5.859,362 3.361,363 2.412,364 2.984,365 0.72,366 7.864,367 2.261,368 3.39,369 2.853,370 5.115,371 2.868,372 1.971,373 2.593,374 0.324,375 5.805,376 1.747,377 3.276,378 2.502,379 5.02,380 2.794,381 1.864,382 2.502,383 0.109,384 5.574,385 1.686,386 3.188,387 2.48,388 4.543,389 2.659,390 1.749,391 2.347,393 4.593,394 1.558,395 2.867,396 1.976,397 4.217,398 2.36,399 1.414,400 2.029,402 3.446,403 1.285,404 2.63,405 1.882,406 3.87,407 2.204,408 1.244,409 1.628,411 3.174,412 1.181,413 2.5,414 1.684,415 3.548,416 2.006,417 1.084,418 1.5,420 2.669,421 0.986,422 2.434,423 1.341,424 3.247,425 1.984,426 1,427 1.348,428 2.136,429 0.983,430 1.849,431 1.127,432 3.237,433 1.398,434 0.537,435 0.633,436 1.169,437 0.44,438 1.452,439 1,440 2.85,441 1.071,442 0.319,443 0.345,445 0.605,446 0.202,447 1.36,448 0.971,449 2.641,450 0.749,451 -0.101,452 -0.126,454 -0.212,455 -0.078,456 1.052,457 0.596,458 2.585,459 0.605,460 -0.328,461 -0.448,463 -0.819,464 -0.288,465 13.595,466 0.504,467 0.678,468 0.025,469 36.25,470 1.343,471 18,472 0.667,473 18.25,474 0.676,475 23.394,476 0.866,477 27.205,478 0.68,479 26.053,480 0.965,481 6.926,482 0.257,483 6.154,484 0.228,485 0.166,487 0.353,493 0.631,494 1.236,495 0.532,496 0.799,497 0.552,498 0.767,499 0.665,500 1.079,501 0.778,502 0.97,503 0.607,504 0.799,505 0.911,506 1.233,507 0.727,508 0.887,509 0.879,510 0.912,511 1.229,512 1.02,513 1.191,514 1.024,515 1.05,516 0.992,517 1.015,518 1.12,519 0.971,520 1.059,521 0.921,522 1.012,523 1.253,524 1.007,525 0.789,526 0.833,527 1.418,528 0.782,529 1.167,530 0.881,531 0.893,532 0.92,533 1.548,534 1.025,535 0.942,536 0.835,537 1.246,538 1.178,539 0.985,540 1.15,541 5,542 0.078,543 3.556,544 2.139,545 1.814,546 1.118,547 0.77,548 0.506,549 0.28,550 0.146,551 8117,552 29313,553 2.097,554 32.5,556 11,558 2,564 1.708,565 1.952,566 3.227,567 -0.659,573 76.103,574 1.903,575 3.991,576 4.663,577 4.953,578 4.953,579 4.953,580 2.683,581 4.459,582 4.727,583 3.353,584 1177,585 8.242,586 14629,588 1,591 212.877,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.046,598 0.044,599 0.027,600 0.018,601 0.014,602 0.01,603 0.007,604 0.422,605 0.17,606 0.88,607 0.76,608 131.193,609 -0.004,610 -0.168,611 0.02,612 -0.034,613 -0.053,614 -0.026,615 0.118,616 0.028,617 -0.025,618 -0.066,619 0.023,620 0.028,621 0.032,622 -0.225,623 0.109,624 -0.034,625 0.043,626 -0.056,627 -0.182,628 0.05,629 -0.217,630 -0.073,631 -0.111,632 -0.088,633 -0.088,634 -0.099,635 -0.072,636 -0.103,637 -0.028,638 -0.089,639 -0.127,640 0.046,641 0.114,642 0.166,643 -0.088,644 0.148,645 -0.02,646 0.133,647 0.028,648 0.055,649 -0.133,650 -0.122,651 0.018,652 0.047,653 -0.097,654 -0.071,655 0.066,656 -0.053,657 1.918,658 5.603,659 0.778,660 22.499,661 1.024,662 1.115,663 4.378,664 19.163,665 0.766,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.796,672 4.956,673 5.118,674 5.209,675 5.231,676 5.725,677 0.732,678 418.33,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.47,686 10.381,687 11.291,688 12.205,689 12.5,692 1,696 1,698 2,699 1,704 7,705 1,709 4,711 12,730 2,731 40,733 16,734 1,735 30,737 43,738 18,739 11,740 3,741 3,742 4,746 4,747 5,748 2,750 1,761 16,762 2,766 4,771 1,773 1,774 2,775 4,781 13,782 6,784 9,785 3,790 5,794 0.75,795 1,805 1,811 1,812 3,815 1,831 2,836 1,840 3,841 1,842 1,844 1,845 2,848 27,854 1,857 1,859 2,869 2,870 2.5,873 1,877 13.833,878 7.786,879 5.944,880 2.202,881 3.012,882 1.394,883 1.008,884 5.129,885 10.661,886 3.714,887 4.304,888 4.879,889 5.414,890 5.929,891 6.158,892 6.528,893 6.922,894 7.275,895 7.522,896 1,897 46,898 9.931,900 4.276,901 7.829,902 18.626,904 15.205,905 2.329,906 62.889,909 1,910 153.024,911 139.894,912 56.36,913 78.297,914 25.145,916 32.22,917 107.674,918 256.467,919 56.36,920 7.19,921 5.107,922 56.857,923 72.934,924 68.04,925 2.592,926 161.702,927 78.297,928 153.024,929 164.034,930 25.145,931 110.517,933 153.024,934 25.145,937 59.775,938 75.241,939 107.316,940 32.22,941 153.024,942 81.505,943 218.191,946 153.024,947 57.751,948 88.269,950 153.676,951 153.024,952 81.505,953 218.191,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.093,962 4,963 1,964 1.095,965 3.762,966 243.595,967 0.095,968 21,969 124.382,970 1,974 18.355,975 7.545,976 3.449,978 81.505,979 12.4,980 4.005,984 2.587,987 452.721,988 40,993 12.603,995 1.468,996 9.062,997 1.406,999 40.978,1000 44.585,1001 0.357,1002 0.75,1003 0.876,1004 0.931,1005 0.931,1006 0.931,1007 4.97,1008 1.414,1009 5.866,1010 4.593,1011 4.466,1012 4.99,1013 3.497,1014 6.723,1015 4.313,1016 6.187,1017 1.244,1018 7.456,1019 3.446,1020 4.111,1021 4.745,1022 2.154,1023 7.7,1024 3.844,1025 7.505,1026 1.084,1027 9.148,1028 3.174,1029 6.103,1030 7.138,1031 5.8,1032 10.837,1033 5.82,1034 8.858,1035 1,1036 10.897,1037 2.669,1038 6.581,1039 7.684,1040 4.981,1041 12.638,1042 6.176,1043 10.241,1044 0.537,1045 12.684,1046 2.136,1047 8.047,1048 9.552,1049 8.321,1050 15.295,1051 7.624,1052 11.647,1053 0.319,1054 14.495,1055 1.169,1056 8.899,1057 10.48,1058 7.834,1059 17.441,1060 8.364,1061 13.069,1062 -0.101,1063 16.324,1064 0.605,1065 10.166,1066 12.111,1067 10.865,1068 19.934,1069 9.594,1070 3.286,1071 -0.328,1072 18.166,1073 -0.212,1074 11.187,1075 13.239,1076 10.624,1077 22.233,1078 10.515,1079 2.947,1080 11.501,1081 20.019,1082 -0.819,1083 12.38,1084 14.75,1085 13.414,1086 24.673,1087 11.654,1088 2.783,1089 9.471,1090 21.879,1091 4.005,1092 13.478,1093 15.987,1094 13.367,1095 27.042,1096 12.661,1097 2.412,1098 9.052,1099 23.747,1100 3.938,1101 14.646,1102 17.435,1103 15.965,1104 29.469,1105 13.766,1106 1.971,1107 7.864,1108 25.621,1109 3.573,1110 15.78,1111 18.732,1112 16.077,1113 31.871,1114 14.816,1115 1.864,1116 5.805,1117 27.5,1118 2.984,1119 16.943,1120 20.146,1121 18.519,1122 34.297,1123 15.909,1124 1.749,1125 5.574,1126 29.384,1127 2.593,1128 18.095,1129 21.477,1130 18.763,1131 36.716,1132 16.981,1133 7780,1134 14933,1135 19.997,1136 30.654,1137 45.948,1138 50.105,1139 47.233,1140 45.299,1141 45.219,1142 58.849,1143 14.312,1144 134.116,1145 41.447,1146 5.458,1147 6.492,1148 6.673,1149 5.282,1150 5.286,1151 7.005,1152 7.117,1153 18.834,1154 5.048,1155 13.096,1156 1.532,1157 1.67,1158 1.574,1159 1.51,1160 1.507,1161 1.962,1162 0.477,1163 4.471,1164 1.382,1165 4.009,1166 4.049,1167 4.136,1168 3.908,1169 7.429,1170 3.908,1171 3.898,1172 3.92,1173 4.005,1174 3.83,1175 5.042,1176 3.832,1177 3.754,1178 3.802,1179 3.826,1180 3.587,1181 4.942,1182 3.599,1183 3.404,1184 3.44,1185 3.583,1186 3.321,1187 4.8,1188 3.273,1189 3.181,1190 3.255,1191 3.427,1192 3.072,1193 4.487,1194 3.019,1195 2.985,1196 3.062,1197 3.294,1198 2.838,1199 4.351,1200 2.807,1201 2.899,1202 2.925,1203 3.112,1204 2.803,1205 4.27,1206 2.798,1207 2.885,1208 2.917,1209 2.909,1210 2.735,1211 3.838,1212 2.715,1213 0.152,1214 0.15,1215 0.229,1216 0.14,1217 0.11,1218 4.545,1219 0.133,1220 4.492,1221 0.122,1222 6.871,1223 0.383,1224 4.208,1225 0.102,1226 3.286,1227 4.005,1228 3.647,1229 11.501,1230 3.048,1231 1.906,1232 1.886,1233 1.981,1234 2.018,1235 1.164,1236 2.008,1237 1.879,1238 1.852,1239 1.962,1240 1.961,1241 1.035,1242 1.973,1243 1.56,1244 1.518,1245 1.643,1246 1.78,1247 0.757,1248 1.741,1249 1.415,1250 1.374,1251 1.549,1252 1.597,1253 0.667,1254 1.614,1255 1.184,1256 1.118,1257 1.473,1258 1.389,1259 0.589,1260 1.446,1261 0.888,1262 0.827,1263 1.181,1264 1.159,1265 0.218,1266 1.135,1267 0.886,1268 0.821,1269 0.994,1270 1.062,1271 0.092,1272 1.107,1273 0.847,1274 0.815,1275 0.955,1276 0.989,1277 0.065,1278 0.991,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.844,1285 8.634,1286 7.05,1287 10.317,1289 1.895,1290 12.485,1295 0.394,1298 1.427,1300 3.156,1305 29.298,1306 76.103,1307 159.658,1308 186.513,1309 198.122,1310 198.122,1311 198.122,1312 43.593,1313 7.649,1314 65.08,1315 90.38,1316 23,1317 12.719,1318 4.087,1319 3.459,1320 39.901,1321 91,1322 94,1323 0.215,1324 190.349,1325 335.04,1326 456.213,1327 20709,1328 5,1329 18.966,1330 0.702,1331 0.61,1332 20.319,1333 16.463,1334 13.08,1335 0.436,1336 0.331,1337 8.021,1338 11.621,1339 7.64,1340 6.307,1341 14.215,1342 9.942,1343 11.766,1344 0.274,1345 0.169,1346 12.936,1347 7.272,1348 10.552,1349 0.176,1350 0.093,1351 12.06,1352 5.581,1353 8.67,1354 0.108,1355 0.046,1356 9.609,1357 3.668,1358 7.197,1359 0.069,1360 0.024,1361 8.055,1362 2.505,1363 0.327,1364 93.375,1365 0.224,1366 25.367,1367 0.624,1368 146,1369 469.228,1370 210.52,1371 536.898,1372 716.47,1373 500,1374 176,1375 476.397,1376 235.89,1377 512.049,1378 756.53,1379 479,1380 6.398}
{0 CHEMBL2018219,1 1.829,2 10.172,3 3.473,4 12.062,5 101.212,6 8.315,7 0.188,8 4.03,9 4.148,10 3.679,11 3.472,12 5.179,13 3.505,14 4.631,15 4.81,16 4.152,17 3.863,18 6.185,19 3.894,20 4.785,21 4.972,22 4.16,23 4.028,24 5.988,25 4.03,26 4.913,27 5.12,28 4.166,29 4.071,30 6.173,31 4.049,32 4.979,33 5.232,34 4.086,35 4.001,36 6.179,37 3.981,38 4.849,39 5.058,40 4.017,41 3.922,42 6.109,43 3.921,44 4.759,45 4.97,46 3.977,47 3.882,48 5.978,49 3.873,50 4.757,51 4.986,52 3.985,53 3.804,54 6.173,55 3.773,56 0.213,57 0.96,58 8.309,59 4.27,60 24.955,61 5.07,62 1.137,63 1.806,64 20.748,65 6.981,66 144.78,67 8.651,68 0.765,69 1.716,70 23.136,71 8.06,72 59.118,73 10.471,74 0.905,75 1.953,76 27.464,77 9.776,78 74.295,79 12.442,80 1.256,81 1.846,82 35.523,83 10.086,84 146.144,85 13.077,86 1.259,87 1.538,88 28.549,89 7.574,90 134.062,91 9.574,92 0.911,93 1.508,94 24.132,95 6.932,96 75.686,97 9.33,98 1.063,99 1.596,100 26.092,101 8.278,102 89.809,103 11.408,104 38,105 48,106 0.311,107 0.634,108 0.784,109 0.822,110 0.829,111 0.829,112 3.409,113 0.864,114 -5.73,115 -5.6,116 -5.22,119 38.8,120 2,125 5,132 1,135 1,139 1,142 3,143 3,158 2,159 1,166 1,172 7,174 6,175 7,183 8,186 3,187 4,195 5,198 5,199 8,207 2,211 2,212 9,220 3,224 12,232 4,236 3,237 7,245 3,249 1,250 6,258 3,263 4,271 1,275 1320,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.474,282 26.056,283 10.831,284 19.73,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 13.38,291 32.475,292 5.135,293 17.072,294 3.786,295 1.883,296 1,297 0.781,298 0.74,299 0.74,300 4.098,304 1,305 1,306 633,307 3.464,310 61.673,311 252.88,314 113.105,318 1.57,319 51.978,322 0.75,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.87,330 67,331 295,332 4.588,333 4.472,334 7.265,335 4.292,336 3.396,337 4.122,338 3.825,339 12.293,340 3.115,341 4.509,342 3.834,343 6.849,344 4.19,345 3.267,346 3.872,347 1.486,348 11.388,349 3.018,350 4.029,351 3.347,352 6.161,353 3.734,354 2.808,355 3.264,356 1.222,357 9.101,358 2.587,359 3.888,360 3.122,361 6.054,362 3.587,363 2.656,364 3.118,365 0.98,366 8.599,367 2.424,368 3.581,369 2.997,370 5.795,371 3.317,372 2.356,373 2.698,374 0.86,375 7.602,376 2.237,377 3.299,378 2.541,379 4.985,380 2.78,381 1.861,382 2.418,383 0.842,384 5.368,385 1.705,386 2.944,387 2.271,388 4.781,389 2.616,390 1.691,391 2.075,392 0.586,393 4.918,394 1.559,395 2.92,396 2.101,397 4.54,398 2.559,399 1.616,400 1.984,401 0.181,402 4.541,403 1.485,404 2.856,405 1.696,406 4.157,407 2.414,408 1.414,409 1.914,411 3.34,412 1.414,413 2.437,414 1.559,415 3.875,416 2.16,417 1.223,418 1.373,420 3.169,421 1.135,422 2.224,423 1.512,424 3.53,425 1.952,426 1.031,427 1.159,428 2.625,429 0.946,430 2,431 1.256,432 3.247,433 1.937,434 1,435 1,436 2.136,437 0.925,438 1.69,439 0.956,440 3.23,441 1.307,442 0.325,443 0.38,445 0.863,446 0.317,447 1.312,448 0.567,449 2.879,450 0.929,451 -0.053,452 -0.065,454 -0.131,455 -0.051,456 0.922,457 0.51,458 2.709,459 0.579,460 -0.413,461 -0.529,463 -1.099,464 -0.404,465 13.024,466 0.449,467 1.005,468 0.035,469 32.25,470 1.112,471 12,472 0.414,473 20.25,474 0.698,475 27.897,476 0.962,477 33.176,478 0.677,479 28.587,480 0.986,481 6.809,482 0.235,483 6.944,484 0.239,485 0.168,486 0.038,487 0.361,490 3,493 0.612,494 1.216,495 0.629,496 1.268,497 0.561,498 1.039,499 0.586,500 0.733,501 0.67,502 0.829,503 0.376,504 0.795,505 0.747,506 0.961,507 0.861,508 1,509 0.566,510 0.976,511 0.793,512 1.124,513 0.993,514 1.221,515 0.78,516 1.194,517 1.082,518 1.025,519 0.972,520 0.888,521 1.1,522 0.871,523 1.245,524 0.852,525 1.246,526 0.877,527 1.332,528 1.005,529 0.855,530 0.876,531 1.079,532 0.955,533 0.765,534 1.041,535 0.615,536 0.806,537 0.832,538 1.133,539 0.74,540 1.109,541 7,542 0.169,543 4.222,544 2.889,545 1.987,546 1.306,547 0.755,548 0.69,549 0.402,550 0.274,551 9877,552 34538,553 2.041,554 40.8,555 3,556 14,560 3,564 1.724,565 1.861,566 3.324,567 -0.649,569 1,573 89.607,574 1.829,575 3.732,576 4.614,577 4.834,578 4.875,579 4.875,580 2.76,581 4.418,582 4.831,583 3.487,584 1415.53,585 8.438,586 18537.2,588 1,590 1,591 275.121,592 1.694,593 4.757,594 0.219,595 0.008,596 0.088,597 0.058,598 0.042,599 0.03,600 0.018,601 0.018,602 0.011,603 0.011,604 0.503,605 0.33,606 0.88,607 0.805,608 145.065,609 -0.024,610 -0.21,611 0.057,612 -0.167,613 -0.067,614 -0.062,615 0.294,616 0.267,617 0.202,618 0.154,619 0.379,620 0.136,621 -0.069,622 -0.109,623 -0.032,624 -0.022,625 0.008,626 -0.014,627 -0.025,628 -0.17,629 -0.11,630 -0.228,631 -0.008,632 -0.213,633 -0.125,634 -0.05,635 0.047,636 0.075,637 -0.113,638 0.129,639 -0.237,640 0.084,641 -0.294,642 0.047,643 -0.249,644 -0.094,645 -0.106,646 -0.067,647 -0.194,648 -0.054,649 -0.066,650 -0.118,651 0.283,652 0.133,653 0.141,654 -0.15,655 0.168,656 -0.107,657 5.676,658 5.553,659 0.724,660 24.535,661 1.034,662 1.156,663 4.502,664 20.265,665 0.645,666 3.497,667 3.892,668 4.174,669 4.466,670 4.7,671 4.796,672 4.99,673 5.153,674 5.22,675 5.313,676 6.177,677 0.641,678 407.44,679 3.497,680 5.081,681 5.953,682 6.868,683 7.76,684 8.677,685 9.578,686 10.495,687 11.401,688 12.32,689 10.2,692 2,696 1,698 2,704 3,709 3,711 6,731 49,733 10,734 1,735 32,737 52,738 19,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 3,757 1,761 11,762 8,766 4,771 1,773 1,774 2,775 4,778 1,779 3,781 20,782 10,784 10,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,844 2,846 3,848 29,854 5,856 1,859 3,860 1,869 3,870 4.1,873 1,874 1,877 15.583,878 9.595,879 6.111,880 2.924,881 2.238,882 1.286,883 0.985,884 5.135,885 10.065,886 3.689,887 4.256,888 4.769,889 5.288,890 5.746,891 5.984,892 6.321,893 6.631,894 6.867,895 7.134,896 0.857,897 50,898 11.236,900 5.334,901 8.221,902 19.891,904 16.48,905 2.721,906 78.917,908 1,909 1,910 235.422,911 99.633,912 42.699,914 36.145,915 44.88,917 99.633,918 271.567,919 87.579,920 17.65,921 18.504,922 37.905,923 43.177,924 96.462,925 1.899,926 235.422,927 7.76,928 235.422,929 142.332,930 81.025,933 235.422,934 70.025,935 11,937 83.611,938 49.245,939 9.476,941 280.302,942 78.844,943 99.633,946 243.182,947 36.318,948 64.806,950 114.474,951 235.422,952 123.724,953 99.633,955 0.603,956 0.351,957 0.189,958 0.102,959 25,960 12,961 0.058,962 3,963 1,964 1.095,965 3.859,966 269.329,967 0.095,968 21,969 132.127,974 19.931,975 7.471,976 3.77,978 123.724,979 4.097,984 -0.025,987 458.779,988 39,993 12.553,995 1.421,996 8.824,997 0.971,999 50.654,1000 56.666,1001 0.326,1002 0.665,1003 0.822,1004 0.861,1005 0.868,1006 0.868,1007 5.001,1008 1.616,1009 6.004,1010 4.918,1011 4.575,1012 4.942,1013 3.475,1014 6.905,1015 4.431,1016 6.229,1017 1.414,1018 7.63,1019 4.541,1020 4.443,1021 4.879,1022 3.964,1023 8.109,1024 4.16,1025 7.569,1026 1.223,1027 9.365,1028 3.34,1029 6.301,1030 7.056,1031 5.477,1032 11.183,1033 6.001,1034 8.941,1035 1.031,1036 11.163,1037 3.169,1038 6.948,1039 7.751,1040 6.699,1041 13.166,1042 6.512,1043 10.345,1044 1,1045 13.001,1046 2.625,1047 8.36,1048 9.478,1049 8.064,1050 15.829,1051 7.886,1052 11.77,1053 0.325,1054 14.865,1055 2.136,1056 9.329,1057 10.521,1058 9.39,1059 18.109,1060 8.737,1061 13.213,1062 -0.053,1063 16.749,1064 0.863,1065 10.59,1066 12.066,1067 10.735,1068 20.645,1069 9.94,1070 3.396,1071 -0.413,1072 18.647,1073 -0.131,1074 11.692,1075 13.279,1076 12.074,1077 23.045,1078 10.939,1079 3.267,1080 12.293,1081 20.557,1082 -1.099,1083 12.904,1084 14.744,1085 13.417,1086 25.542,1087 12.08,1088 2.808,1089 11.388,1090 22.476,1091 4.122,1092 14.061,1093 16.044,1094 14.758,1095 27.992,1096 13.144,1097 2.656,1098 9.101,1099 24.403,1100 3.872,1101 15.261,1102 17.473,1103 16.1,1104 30.48,1105 14.265,1106 2.356,1107 8.599,1108 26.336,1109 3.264,1110 16.443,1111 18.819,1112 17.441,1113 32.952,1114 15.358,1115 1.861,1116 7.602,1117 28.275,1118 3.118,1119 17.641,1120 20.231,1121 18.783,1122 35.44,1123 16.475,1124 1.691,1125 5.368,1126 30.218,1127 2.698,1128 18.835,1129 21.602,1130 20.124,1131 37.922,1132 17.582,1133 9527,1134 17988,1135 20.69,1136 31.603,1137 50.427,1138 49.786,1139 50.941,1140 49.479,1141 49.288,1142 58.755,1143 19.963,1144 151.883,1145 45.735,1146 5.588,1147 6.472,1148 7.067,1149 5.396,1150 5.396,1151 7.122,1152 5.335,1153 20.015,1154 5.115,1155 16.803,1156 1.576,1157 1.556,1158 1.592,1159 1.546,1160 1.54,1161 1.836,1162 0.624,1163 4.746,1164 1.429,1165 4.022,1166 4.066,1167 3.986,1168 3.922,1169 8.513,1170 3.926,1171 3.905,1172 3.944,1173 3.872,1174 3.719,1175 7.999,1176 3.754,1177 3.729,1178 3.791,1179 3.633,1180 3.495,1181 7.999,1182 3.52,1183 3.451,1184 3.495,1185 3.395,1186 3.267,1187 7.429,1188 3.281,1189 3.333,1190 3.385,1191 3.305,1192 3.076,1193 4.891,1194 3.108,1195 3.174,1196 3.258,1197 2.997,1198 3.033,1199 4.669,1200 3.01,1201 3.111,1202 3.206,1203 2.931,1204 2.941,1205 4.623,1206 2.91,1207 3.067,1208 3.156,1209 2.866,1210 2.788,1211 4.381,1212 2.807,1213 0.143,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.588,1219 0.129,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.292,1225 0.097,1226 3.396,1227 4.122,1228 3.825,1229 12.293,1230 3.115,1231 1.951,1232 1.928,1233 2.053,1234 2.045,1235 1.243,1236 2.046,1237 1.778,1238 1.729,1239 1.939,1240 2.002,1241 1.206,1242 1.984,1243 1.546,1244 1.499,1245 1.726,1246 1.797,1247 0.848,1248 1.76,1249 1.505,1250 1.437,1251 1.669,1252 1.74,1253 0.825,1254 1.733,1255 1.21,1256 1.143,1257 1.553,1258 1.472,1259 0.724,1260 1.47,1261 1.198,1262 1.133,1263 1.513,1264 1.418,1265 0.627,1266 1.436,1267 1.153,1268 1.064,1269 1.449,1270 1.376,1271 0.597,1272 1.429,1273 0.971,1274 0.904,1275 1.12,1276 1.306,1277 0.219,1278 1.265,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.034,1287 10.46,1289 3.15,1291 39.776,1295 2.445,1297 5.335,1300 4.795,1301 -4.426,1305 31.428,1306 89.607,1307 182.856,1308 226.101,1309 236.856,1310 238.856,1311 238.856,1312 65.897,1313 7.826,1314 64.66,1315 64.66,1316 23,1317 12.832,1318 3.459,1319 3,1320 44.513,1321 106,1322 108,1323 0.205,1324 188.518,1325 349.23,1326 451.744,1327 26396,1328 6.1,1329 20.759,1330 0.716,1331 0.553,1332 18.259,1333 16.031,1334 13.753,1335 0.43,1336 0.288,1337 8.977,1338 12.847,1339 8.795,1340 7.184,1341 12.542,1342 9.211,1343 13.57,1344 0.283,1345 0.146,1346 11.574,1347 6.985,1348 10.927,1349 0.171,1350 0.081,1351 10.222,1352 5.157,1353 9.376,1354 0.109,1355 0.041,1356 8.392,1357 3.536,1358 7.537,1359 0.069,1360 0.021,1361 6.969,1362 2.343,1363 0.315,1364 88.812,1365 0.22,1366 27.027,1367 0.584,1368 160,1369 686.03,1370 194.405,1371 569.62,1372 751.14,1373 530,1374 192,1375 537.298,1376 221.809,1377 517.057,1378 786.11,1379 485,1380 6.201}
{0 CHEMBL2018220,1 1.934,2 10.167,3 4.674,4 21.85,5 109.279,6 8.79,7 0.182,8 4.051,9 4.161,10 3.783,11 3.541,12 5.198,13 3.545,14 4.645,15 4.814,16 4.233,17 3.915,18 6.192,19 3.923,20 4.775,21 4.948,22 4.267,23 4.074,24 5.986,25 4.059,26 4.922,27 5.122,28 4.29,29 4.125,30 6.191,31 4.09,32 4.979,33 5.213,34 4.273,35 4.095,36 6.189,37 4.049,38 4.887,39 5.098,40 4.214,41 4.036,42 6.129,43 4.005,44 4.798,45 4.974,46 4.178,47 4.036,48 6.055,49 3.983,50 4.788,51 4.987,52 4.25,53 3.956,54 6.201,55 3.89,56 0.22,57 0.997,58 8.084,59 4.731,60 24.786,61 5.134,62 1.148,63 1.875,64 24.201,65 7.753,66 144.149,67 8.829,68 0.726,69 1.773,70 22.309,71 8.85,72 56.772,73 10.596,74 0.943,75 2.055,76 29.623,77 10.444,78 74.582,79 12.13,80 1.238,81 2.008,82 36.2,83 11.533,84 137.606,85 12.984,86 1.274,87 1.722,88 33.174,89 9.266,90 127.698,91 10.344,92 0.942,93 1.691,94 27.879,95 9.195,96 86.189,97 9.759,98 1.074,99 1.883,100 34.531,101 10.638,102 82.951,103 11.71,104 41,105 49,106 0.327,107 0.65,108 0.81,109 0.826,110 0.833,111 0.833,112 3.441,113 0.959,114 -6,115 -5.85,116 -5.44,119 38,120 1,124 1,125 5,132 1,135 1,139 1,142 3,143 3,158 1,159 2,166 1,172 7,174 6,175 7,183 8,186 3,187 4,195 5,198 5,199 8,207 2,211 2,212 9,220 3,224 12,232 4,236 3,237 7,245 3,249 1,250 6,258 3,263 4,271 1,275 1486,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 18.397,282 25.646,283 11.355,284 20.868,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.801,291 30.867,292 5.294,293 17.814,294 3.71,295 1.805,296 0.86,297 0.765,298 0.725,299 0.725,300 4.131,304 1,305 1,306 652,307 3.606,310 64.162,311 263.05,314 118.205,318 1.522,319 52.823,322 0.75,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.94,330 69,331 305,332 4.589,333 4.492,334 7.265,335 4.292,336 3.396,337 4.122,338 3.825,339 12.293,340 3.111,341 4.515,342 4.471,343 6.869,344 4.19,345 3.276,346 3.879,347 3.647,348 11.49,349 3.005,350 4.041,351 3.726,352 6.172,353 3.734,354 2.815,355 3.282,356 1.366,357 9.145,358 2.571,359 3.891,360 3.213,361 6.055,362 3.587,363 2.656,364 3.123,365 1.004,366 8.599,367 2.424,368 3.592,369 3.109,370 5.834,371 3.321,372 2.382,373 2.704,374 0.88,375 7.765,376 2.213,377 3.338,378 2.961,379 5.111,380 2.793,381 1.899,382 2.468,383 0.86,384 5.749,385 1.689,386 2.944,387 2.528,388 4.789,389 2.638,390 1.75,391 2.075,392 0.692,393 4.927,394 1.541,395 2.93,396 2.296,397 4.541,398 2.562,399 1.619,400 1.985,401 0.324,402 4.583,403 1.481,404 2.856,405 2.112,406 4.212,407 2.414,408 1.414,409 1.926,410 0.168,411 3.39,412 1.414,413 2.437,414 1.706,415 3.875,416 2.161,417 1.223,418 1.374,420 3.169,421 1.135,422 2.23,423 1.602,424 3.549,425 1.952,426 1.064,427 1.175,428 2.662,429 0.946,430 2,431 1.512,432 3.266,433 1.952,434 1,435 1,436 2.136,437 0.934,438 1.832,439 1.256,440 3.247,441 1.398,442 0.527,443 0.612,445 1.101,446 0.441,447 1.401,448 1.131,449 2.98,450 1.125,451 0.21,452 0.232,454 0.429,455 0.191,456 1.308,457 0.67,458 2.723,459 0.762,460 -0.176,461 -0.225,463 -0.394,464 -0.162,465 13.857,466 0.462,467 0.967,468 0.032,469 32.75,470 1.092,471 12,472 0.4,473 20.75,474 0.692,475 30.891,476 1.03,477 34.143,478 0.683,479 28.43,480 0.948,481 6.467,482 0.216,483 7.824,484 0.261,485 0.158,486 0.036,487 0.339,490 3,493 0.617,494 1.163,495 0.64,496 1.103,497 0.561,498 0.993,499 0.593,500 0.756,501 0.858,502 0.954,503 0.382,504 0.816,505 0.716,506 1.005,507 0.733,508 0.954,509 0.565,510 0.972,511 0.841,512 1.09,513 0.989,514 1.091,515 0.808,516 1.101,517 1.112,518 1.04,519 0.93,520 0.869,521 1.126,522 0.895,523 1.177,524 0.785,525 1.139,526 0.803,527 1.206,528 0.854,529 0.945,530 0.918,531 1.343,532 1.129,533 0.907,534 1.138,535 0.624,536 0.878,537 1.181,538 1.407,539 0.762,540 1.187,541 7,542 0.182,543 4.222,544 2.889,545 2.112,546 1.361,547 0.852,548 0.706,549 0.497,550 0.284,551 10586,552 38365,553 2.04,554 40,555 3,556 17,564 1.734,565 1.865,566 3.324,567 -0.627,573 96.679,574 1.934,575 3.839,576 4.783,577 4.879,578 4.919,579 4.919,580 2.749,581 4.548,582 4.88,583 3.483,584 1515.31,585 8.545,586 20319.8,588 1,591 282.193,592 1.679,593 4.809,594 0.212,595 0.008,596 0.086,597 0.056,598 0.042,599 0.029,600 0.019,601 0.016,602 0.012,603 0.01,604 0.49,605 0.17,606 0.88,607 0.888,608 151.409,609 -0.028,610 -0.183,611 0.062,612 -0.09,613 -0.067,614 -0.048,615 0.295,616 0.246,617 0.088,618 0.057,619 0.38,620 0.113,621 -0.036,622 -0.156,623 0.042,624 -0.036,625 0.02,626 -0.02,627 -0.052,628 -0.134,629 -0.093,630 -0.136,631 -0.021,632 -0.146,633 -0.141,634 -0.033,635 0.057,636 0.095,637 -0.124,638 0.092,639 -0.207,640 0.148,641 -0.13,642 0.162,643 -0.195,644 0.074,645 -0.161,646 -0.063,647 -0.309,648 -0.08,649 -0.12,650 -0.209,651 0.273,652 0.124,653 0.029,654 -0.227,655 0.134,656 -0.172,657 5.682,658 5.66,659 0.7,660 26.236,661 1.035,662 1.152,663 4.77,664 22.749,665 0.665,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.868,672 5.056,673 5.22,674 5.318,675 5.394,676 6.21,677 0.652,678 439.51,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.705,685 9.608,686 10.528,687 11.436,688 12.357,689 10,692 2,696 1,698 2,704 3,709 3,711 6,731 50,733 10,734 1,735 33,737 53,738 19,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 2,757 1,761 11,762 8,766 4,771 1,773 1,774 2,775 4,778 1,779 3,781 20,782 10,784 11,785 1,790 5,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,841 1,842 1,844 2,846 3,848 30,854 5,856 1,857 1,859 3,860 1,869 3,870 4,873 1,874 1,877 16.083,878 9.762,879 6.444,880 2.882,881 2.229,882 1.283,883 0.982,884 5.841,885 10.112,886 3.714,887 4.27,888 4.794,889 5.308,890 5.771,891 6.03,892 6.365,893 6.684,894 6.942,895 7.199,896 0.857,897 52,898 11.616,900 5.48,901 8.192,902 20.629,904 17.026,905 2.692,906 80.75,909 1,910 235.422,911 128.583,912 42.699,914 36.145,915 44.88,916 32.22,917 96.363,918 271.567,919 87.579,920 16.016,921 18.504,922 37.905,923 40.849,924 96.462,925 2.592,926 267.642,927 7.76,928 235.422,929 139.062,930 81.025,931 32.22,933 235.422,934 70.025,935 11,937 74.786,938 54.801,939 9.476,940 32.22,941 280.302,942 78.844,943 128.583,946 243.182,947 66.903,948 63.171,950 114.474,951 235.422,952 123.724,953 128.583,955 0.596,956 0.353,957 0.193,958 0.105,959 25,960 12,961 0.075,962 4,963 1,964 1.095,965 3.915,966 282.774,967 0.095,968 21,969 138.452,970 1,974 21.228,975 8.255,976 4.121,978 123.724,979 4.108,984 -0.032,987 487.729,988 40,993 12.66,995 1.426,996 8.94,997 0.967,999 51.731,1000 57.586,1001 0.343,1002 0.68,1003 0.848,1004 0.864,1005 0.871,1006 0.871,1007 5.021,1008 1.619,1009 6.023,1010 4.927,1011 4.595,1012 4.956,1013 4.019,1014 6.925,1015 4.43,1016 6.243,1017 1.414,1018 7.648,1019 4.583,1020 4.443,1021 4.879,1022 4.053,1023 8.131,1024 4.137,1025 7.581,1026 1.223,1027 9.382,1028 3.39,1029 6.319,1030 7.068,1031 6.323,1032 11.206,1033 5.989,1034 8.952,1035 1.064,1036 11.18,1037 3.169,1038 6.957,1039 7.76,1040 6.855,1041 13.191,1042 6.49,1043 10.356,1044 1,1045 13.018,1046 2.662,1047 8.376,1048 9.489,1049 8.891,1050 15.854,1051 7.867,1052 11.782,1053 0.527,1054 14.882,1055 2.136,1056 9.341,1057 10.531,1058 9.58,1059 18.136,1060 8.712,1061 13.225,1062 0.21,1063 16.766,1064 1.101,1065 10.605,1066 12.076,1067 11.495,1068 20.673,1069 9.915,1070 3.396,1071 -0.176,1072 18.664,1073 0.429,1074 11.706,1075 13.29,1076 12.285,1077 23.074,1078 10.911,1079 3.276,1080 12.293,1081 20.574,1082 -0.394,1083 12.919,1084 14.754,1085 14.108,1086 25.573,1087 12.05,1088 2.815,1089 11.49,1090 22.493,1091 4.122,1092 14.077,1093 16.054,1094 14.98,1095 28.024,1096 13.111,1097 2.656,1098 9.145,1099 24.419,1100 3.879,1101 15.277,1102 17.483,1103 16.728,1104 30.513,1105 14.231,1106 2.382,1107 8.599,1108 26.352,1109 3.282,1110 16.459,1111 18.829,1112 17.669,1113 32.986,1114 15.322,1115 1.899,1116 7.765,1117 28.291,1118 3.123,1119 17.658,1120 20.241,1121 19.353,1122 35.474,1123 16.437,1124 1.75,1125 5.749,1126 30.234,1127 2.704,1128 18.853,1129 21.611,1130 20.353,1131 37.957,1132 17.542,1133 10252,1134 19692,1135 21.383,1136 33.25,1137 51.447,1138 53.581,1139 52.375,1140 50.614,1141 50.466,1142 59.914,1143 25.533,1144 154.877,1145 46.192,1146 5.589,1147 6.492,1148 7.067,1149 5.396,1150 5.396,1151 7.122,1152 7.295,1153 20.015,1154 5.111,1155 17.276,1156 1.559,1157 1.624,1158 1.587,1159 1.534,1160 1.529,1161 1.816,1162 0.774,1163 4.693,1164 1.4,1165 4.018,1166 4.058,1167 4.042,1168 3.922,1169 8.513,1170 3.925,1171 3.902,1172 3.941,1173 3.897,1174 3.722,1175 7.999,1176 3.751,1177 3.719,1178 3.776,1179 3.747,1180 3.509,1181 7.999,1182 3.513,1183 3.431,1184 3.468,1185 3.532,1186 3.311,1187 7.429,1188 3.275,1189 3.322,1190 3.366,1191 3.375,1192 3.121,1193 4.879,1194 3.115,1195 3.177,1196 3.259,1197 3.134,1198 3.037,1199 4.669,1200 3.015,1201 3.126,1202 3.213,1203 2.962,1204 2.941,1205 4.618,1206 2.91,1207 3.111,1208 3.206,1209 2.915,1210 2.89,1211 4.357,1212 2.89,1213 0.139,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.589,1219 0.125,1220 4.492,1221 0.116,1222 7.265,1223 0.373,1224 4.292,1225 0.094,1226 3.396,1227 4.122,1228 3.825,1229 12.293,1230 3.111,1231 1.951,1232 1.928,1233 2.052,1234 2.044,1235 1.242,1236 2.044,1237 1.778,1238 1.729,1239 1.939,1240 2.002,1241 1.206,1242 1.984,1243 1.545,1244 1.499,1245 1.672,1246 1.796,1247 0.825,1248 1.76,1249 1.426,1250 1.384,1251 1.56,1252 1.63,1253 0.809,1254 1.629,1255 1.212,1256 1.157,1257 1.548,1258 1.445,1259 0.704,1260 1.47,1261 1.208,1262 1.133,1263 1.513,1264 1.418,1265 0.645,1266 1.466,1267 1.153,1268 1.064,1269 1.485,1270 1.376,1271 0.6,1272 1.429,1273 1.009,1274 0.945,1275 1.127,1276 1.352,1277 0.219,1278 1.293,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.844,1285 8.785,1286 7.05,1287 10.481,1289 3.249,1291 39.963,1295 2.422,1297 5.349,1298 1.302,1300 4.827,1301 -4.432,1305 32.615,1306 96.679,1307 191.928,1308 239.173,1309 243.928,1310 245.928,1311 245.928,1312 69.604,1313 7.883,1314 64.66,1315 89.96,1316 23,1317 12.867,1318 3.459,1319 3,1320 46.742,1321 109,1322 115,1323 0.207,1324 199.649,1325 367.74,1326 478.904,1327 27864,1328 6,1329 21.466,1330 0.716,1331 0.575,1332 19.319,1333 17.256,1334 14.291,1335 0.433,1336 0.32,1337 9.197,1338 12.921,1339 8.888,1340 7.269,1341 13.637,1342 10.548,1343 13.761,1344 0.281,1345 0.157,1346 12.232,1347 7.697,1348 11.257,1349 0.171,1350 0.088,1351 11.049,1352 5.788,1353 9.653,1354 0.108,1355 0.046,1356 9.136,1357 4.052,1358 7.765,1359 0.068,1360 0.024,1361 7.713,1362 2.741,1363 0.317,1364 97.617,1365 0.216,1366 27.732,1367 0.595,1368 164,1369 704.89,1370 218.459,1371 607.723,1372 799.34,1373 566,1374 197,1375 555.012,1376 242.453,1377 547.431,1378 831.72,1379 511,1380 6.495}
{0 CHEMBL2018221,1 1.79,2 10.161,3 4.231,4 17.9,5 108.611,6 8.179,7 0.171,8 4.114,9 4.23,10 3.756,11 3.582,12 5.215,13 3.605,14 4.712,15 4.89,16 4.193,17 3.961,18 6.209,19 3.973,20 4.874,21 5.074,22 4.23,23 4.1,24 6.028,25 4.096,26 4.978,27 5.184,28 4.263,29 4.155,30 6.213,31 4.143,32 5.061,33 5.301,34 4.2,35 4.14,36 6.219,37 4.116,38 4.992,39 5.207,40 4.196,41 4.114,42 6.197,43 4.109,44 4.923,45 5.114,46 4.145,47 4.107,48 6.12,49 4.084,50 4.942,51 5.165,52 4.146,53 4.068,54 6.229,55 4.016,56 0.192,57 1.038,58 9.344,59 4.816,60 25.334,61 5.742,62 1.123,63 1.925,64 22.511,65 7.918,66 146.869,67 9.866,68 0.748,69 1.828,70 26.646,71 9.033,72 61.235,73 12.162,74 0.906,75 2.115,76 29.636,77 9.973,78 74.085,79 12.783,80 1.184,81 2.088,82 36.985,83 11.16,84 136.599,85 14.288,86 1.273,87 1.828,88 33.348,89 9.255,90 133.539,91 11.939,92 0.96,93 1.806,94 27.655,95 8.945,96 92.27,97 11.559,98 1.109,99 1.947,100 30.614,101 10.462,102 104.465,103 14.249,104 27,105 53,106 0.298,107 0.63,108 0.803,109 0.818,110 0.824,111 0.824,112 3.473,113 0.884,114 -6.17,115 -6.01,116 -5.59,119 39.6,120 1,121 2,122 1,125 5,132 1,135 1,139 1,142 3,143 3,158 2,159 1,166 1,172 10,174 6,175 7,183 8,186 3,187 8,195 5,198 5,199 10,207 2,211 2,212 11,220 5,224 14,232 10,236 3,237 9,245 9,249 1,250 6,258 5,263 4,271 1,275 1648,276 20.626,277 20.626,278 20.626,279 20.626,280 20.626,281 19.206,282 28.481,283 11.752,284 21.359,285 17.288,286 17.288,287 17.288,288 17.288,289 17.288,290 14.913,291 36.073,292 5.588,293 18.557,294 3.938,295 1.949,296 0.911,297 0.821,298 0.783,299 0.783,300 4.167,304 1,305 1,306 691,307 3.536,308 44.257,310 65.697,311 271.54,314 121.796,318 1.478,319 54.116,322 0.75,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.94,330 71,331 315,332 4.597,333 4.472,334 7.265,335 4.304,336 3.399,337 4.123,338 3.825,339 12.296,340 3.146,341 4.539,342 3.865,343 6.946,344 4.243,345 3.322,346 3.9,347 1.486,348 11.774,349 3.065,350 4.113,351 3.44,352 6.283,353 3.841,354 2.888,355 3.363,356 1.222,357 9.462,358 2.766,359 3.908,360 3.132,361 6.057,362 3.62,363 2.678,364 3.137,365 0.98,366 8.602,367 2.48,368 3.715,369 3.038,370 6.037,371 3.561,372 2.62,373 2.786,374 0.86,375 8.59,376 2.424,377 3.496,378 2.829,379 5.565,380 3.192,381 2.225,382 2.64,383 0.842,384 7.029,385 2.128,386 3.047,387 2.338,388 4.817,389 2.736,390 1.823,391 2.085,392 0.586,393 4.974,394 1.658,395 2.944,396 2.134,397 4.699,398 2.569,399 1.623,400 2.044,401 0.181,402 4.816,403 1.501,404 2.858,405 1.945,406 4.54,407 2.416,408 1.486,409 1.984,411 4.396,412 1.414,413 2.827,414 1.689,415 4.143,416 2.414,417 1.414,418 1.801,420 3.3,421 1.374,422 2.437,423 1.522,424 3.875,425 2.158,426 1.223,427 1.372,428 3.168,429 1.132,430 2.218,431 1.511,432 3.539,433 1.952,434 1.004,435 1.144,436 2.605,437 0.946,438 2,439 1.256,440 3.253,441 1.916,442 1,443 1,445 2.136,446 0.907,447 1.659,448 0.923,449 3.247,450 1.296,451 0.313,452 0.362,454 0.844,455 0.305,456 1.312,457 0.565,458 2.96,459 0.935,460 -0.048,461 -0.058,463 -0.124,464 -0.047,465 14.024,466 0.452,467 1.018,468 0.033,469 33.75,470 1.089,471 12,472 0.387,473 21.75,474 0.702,475 31.243,476 1.008,477 35.176,478 0.664,479 29.531,480 0.953,481 6.725,482 0.217,483 8.101,484 0.261,485 0.121,486 0.036,487 0.371,490 3,493 0.597,494 1.179,495 0.635,496 1.223,497 0.539,498 1.017,499 0.575,500 0.768,501 0.738,502 0.92,503 0.37,504 0.9,505 0.702,506 0.986,507 0.771,508 0.98,509 0.541,510 0.918,511 0.856,512 1.098,513 0.997,514 1.101,515 0.801,516 1.087,517 1.088,518 1.054,519 1.017,520 0.941,521 1.088,522 0.934,523 1.15,524 0.769,525 1.102,526 0.775,527 1.213,528 0.867,529 0.89,530 0.9,531 1.144,532 1.045,533 0.871,534 1.14,535 0.581,536 0.776,537 0.891,538 1.127,539 0.686,540 1.142,541 7,542 0.174,543 4.056,544 2.764,545 2.032,546 1.312,547 0.852,548 0.728,549 0.542,550 0.347,551 12077,552 38714,553 2.112,554 41.5,555 7,556 14,560 1,564 1.744,565 1.948,566 3.314,567 -0.671,569 1,573 94.869,574 1.79,575 3.778,576 4.817,577 4.907,578 4.945,579 4.945,580 2.733,581 4.543,582 4.927,583 3.479,584 1617.7,585 8.647,586 22135.1,588 1,590 1,591 303.58,592 1.633,593 4.868,594 0.2,595 0.008,596 0.081,597 0.051,598 0.038,599 0.026,600 0.017,601 0.015,602 0.012,603 0.01,604 0.459,605 0.17,606 0.75,607 0.744,608 157.718,609 -0.017,610 -0.173,611 0.062,612 -0.124,613 -0.049,614 -0.035,615 0.297,616 0.236,617 0.135,618 0.069,619 0.377,620 0.038,621 -0.023,622 -0.156,623 0.091,624 -0.011,625 0.03,626 0.056,627 -0.06,628 -0.124,629 -0.109,630 -0.14,631 -0.019,632 -0.138,633 -0.137,634 -0.048,635 -0.029,636 0.027,637 -0.115,638 0.048,639 -0.186,640 0.151,641 -0.15,642 0.154,643 -0.191,644 0.06,645 -0.126,646 -0.072,647 -0.281,648 -0.109,649 -0.1,650 -0.212,651 0.241,652 0.153,653 0.043,654 -0.131,655 0.131,656 -0.138,657 5.672,658 5.796,659 0.774,660 27.457,661 1.029,662 1.152,663 4.939,664 24.396,665 0.648,666 3.584,667 3.989,668 4.263,669 4.575,670 4.836,671 5.004,672 5.22,673 5.38,674 5.509,675 5.617,676 6.232,677 0.641,678 433.48,679 3.584,680 5.176,681 6.061,682 6.984,683 7.889,684 8.815,685 9.73,686 10.659,687 11.579,688 12.511,689 9.4,692 2,696 1,698 2,704 3,709 3,711 6,731 53,733 10,734 1,735 35,737 57,738 21,739 6,740 3,741 3,742 4,746 5,747 6,750 1,752 2,755 2,756 1,757 1,758 2,761 11,762 10,763 1,766 4,771 1,773 1,774 2,775 4,778 1,779 3,781 22,782 10,784 10,790 5,791 1,794 0.8,795 2,809 1,811 1,812 3,815 1,831 1,836 2,839 1,840 4,844 1,846 3,848 31,854 7,856 1,858 1,859 3,860 1,869 3,870 3.8,873 1,874 1,877 15.917,878 9.929,879 6.472,880 3.34,881 2.207,882 1.275,883 1.004,884 5.065,885 10.241,886 3.761,887 4.324,888 4.834,889 5.356,890 5.82,891 6.111,892 6.468,893 6.792,894 7.083,895 7.36,896 0.857,897 54,898 12.03,900 5.798,901 8.121,902 21.683,904 18.684,905 2.621,906 81.25,909 1,910 258.964,911 95.877,912 42.699,914 36.145,915 44.88,917 95.877,918 295.109,919 87.579,920 8.825,921 23.573,922 37.905,923 43.177,924 96.462,925 1.899,926 258.964,927 7.76,928 258.964,929 138.576,930 81.025,933 258.964,934 70.025,935 11,937 79.855,938 49.245,939 9.476,941 303.845,942 78.844,943 95.877,946 266.724,947 41.387,948 55.981,950 114.474,951 258.964,952 123.724,953 95.877,955 0.603,956 0.34,957 0.185,958 0.1,959 29,960 13,961 0.07,962 4,963 1,964 1.083,965 4.082,966 305.294,967 0.083,968 24,969 142.825,974 20.534,975 7.647,976 3.97,978 123.724,979 4.188,984 0.055,987 478.565,988 42,993 12.796,995 1.46,996 9.196,997 1.29,999 54.538,1000 61.081,1001 0.313,1002 0.66,1003 0.841,1004 0.857,1005 0.863,1006 0.863,1007 5.085,1008 1.623,1009 6.107,1010 4.974,1011 4.673,1012 5.011,1013 3.475,1014 7.017,1015 4.544,1016 6.314,1017 1.486,1018 7.737,1019 4.816,1020 4.575,1021 4.966,1022 3.964,1023 8.241,1024 4.332,1025 7.657,1026 1.414,1027 9.475,1028 4.396,1029 6.415,1030 7.117,1031 5.477,1032 11.31,1033 6.149,1034 9.029,1035 1.223,1036 11.275,1037 3.3,1038 7.074,1039 7.822,1040 6.699,1041 13.295,1042 6.694,1043 10.433,1044 1.004,1045 13.113,1046 3.168,1047 8.481,1048 9.536,1049 8.064,1050 15.96,1051 8.061,1052 11.859,1053 1,1054 14.978,1055 2.605,1056 9.451,1057 10.582,1058 9.39,1059 18.24,1060 8.929,1061 13.302,1062 0.313,1063 16.861,1064 2.136,1065 10.712,1066 12.12,1067 10.735,1068 20.78,1069 10.132,1070 3.399,1071 -0.048,1072 18.758,1073 0.844,1074 11.813,1075 13.335,1076 12.074,1077 23.181,1078 11.14,1079 3.322,1080 12.296,1081 20.667,1082 -0.124,1083 13.026,1084 14.795,1085 13.417,1086 25.683,1087 12.285,1088 2.888,1089 11.774,1090 22.584,1091 4.123,1092 14.184,1093 16.096,1094 14.758,1095 28.135,1096 13.356,1097 2.678,1098 9.462,1099 24.51,1100 3.9,1101 15.385,1102 17.521,1103 16.1,1104 30.627,1105 14.482,1106 2.62,1107 8.602,1108 26.441,1109 3.363,1110 16.568,1111 18.867,1112 17.441,1113 33.101,1114 15.581,1115 2.225,1116 8.59,1117 28.378,1118 3.137,1119 17.768,1120 20.278,1121 18.783,1122 35.592,1123 16.704,1124 1.823,1125 7.029,1126 30.32,1127 2.786,1128 18.964,1129 21.648,1130 20.124,1131 38.077,1132 17.818,1133 11357,1134 20512,1135 23.175,1136 34.364,1137 55.341,1138 55.068,1139 55.73,1140 54.196,1141 54.037,1142 63.481,1143 19.963,1144 167.984,1145 50.491,1146 5.597,1147 6.472,1148 7.067,1149 5.408,1150 5.399,1151 7.123,1152 5.335,1153 20.018,1154 5.146,1155 16.08,1156 1.581,1157 1.573,1158 1.592,1159 1.548,1160 1.544,1161 1.814,1162 0.57,1163 4.8,1164 1.443,1165 4.052,1166 4.101,1167 4.01,1168 3.935,1169 8.513,1170 3.941,1171 3.928,1172 3.96,1173 3.886,1174 3.819,1175 7.999,1176 3.825,1177 3.832,1178 3.885,1179 3.734,1180 3.664,1181 7.999,1182 3.682,1183 3.665,1184 3.72,1185 3.561,1186 3.436,1187 7.429,1188 3.461,1189 3.395,1190 3.441,1191 3.379,1192 3.176,1193 4.889,1194 3.2,1195 3.243,1196 3.295,1197 3.188,1198 3.04,1199 4.669,1200 3.041,1201 3.164,1202 3.253,1203 2.97,1204 2.941,1205 4.622,1206 2.967,1207 3.111,1208 3.206,1209 2.92,1210 2.941,1211 4.406,1212 2.91,1213 0.131,1214 0.128,1215 0.208,1216 0.123,1217 0.097,1218 4.597,1219 0.118,1220 4.472,1221 0.109,1222 7.265,1223 0.351,1224 4.304,1225 0.09,1226 3.399,1227 4.123,1228 3.825,1229 12.296,1230 3.146,1231 1.951,1232 1.928,1233 2.052,1234 2.045,1235 1.244,1236 2.045,1237 1.778,1238 1.729,1239 1.939,1240 2.002,1241 1.206,1242 1.984,1243 1.545,1244 1.499,1245 1.673,1246 1.796,1247 0.919,1248 1.76,1249 1.467,1250 1.413,1251 1.605,1252 1.685,1253 0.825,1254 1.658,1255 1.21,1256 1.136,1257 1.552,1258 1.449,1259 0.825,1260 1.47,1261 1.181,1262 1.131,1263 1.513,1264 1.418,1265 0.755,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.651,1272 1.429,1273 1.153,1274 1.064,1275 1.402,1276 1.376,1277 0.6,1278 1.394,1279 4.263,1280 1.946,1281 5.645,1282 3.932,1283 7.22,1284 5.9,1285 8.88,1286 7.856,1287 10.585,1289 1.479,1291 40.191,1295 4.405,1297 5.375,1299 0.194,1300 5.042,1301 -4.422,1305 33.955,1306 94.869,1307 200.256,1308 255.315,1309 260.07,1310 262.07,1311 262.07,1312 67.382,1313 8.035,1314 64.66,1315 64.66,1316 26,1317 13.014,1318 3.459,1319 3,1320 43.293,1321 112,1322 122,1323 0.184,1324 200.309,1325 371.47,1326 480.515,1327 32559,1328 5.7,1329 21.75,1330 0.702,1331 0.549,1332 19.25,1333 17.023,1334 14.826,1335 0.424,1336 0.295,1337 10.082,1338 13.932,1339 9.944,1340 8.074,1341 13.614,1342 10.316,1343 14.594,1344 0.275,1345 0.152,1346 12.598,1347 8.07,1348 11.585,1349 0.166,1350 0.081,1351 10.88,1352 5.654,1353 10.069,1354 0.105,1355 0.041,1356 9.086,1357 3.978,1358 8.116,1359 0.065,1360 0.021,1361 7.548,1362 2.678,1363 0.281,1364 95.247,1365 0.208,1366 28.434,1367 0.533,1368 176,1369 702.03,1370 210.405,1371 585.648,1372 778.2,1373 546,1374 214,1375 561.298,1376 244.475,1377 540.893,1378 826.74,1379 509,1380 5.602}
{0 CHEMBL2018222,1 1.798,2 10.267,3 3.851,4 14.826,5 105.63,6 8.105,7 0.182,8 4.08,9 4.2,10 3.708,11 3.525,12 5.213,13 3.549,14 4.685,15 4.868,16 4.191,17 3.918,18 6.21,19 3.943,20 4.861,21 5.048,22 4.202,23 4.089,24 6.043,25 4.086,26 4.995,27 5.212,28 4.205,29 4.144,30 6.215,31 4.111,32 5.053,33 5.309,34 4.13,35 4.082,36 6.223,37 4.048,38 4.936,39 5.157,40 4.061,41 4.002,42 6.16,43 3.988,44 4.83,45 5.042,46 4.048,47 3.957,48 6.035,49 3.942,50 4.843,51 5.071,52 4.054,53 3.881,54 6.25,55 3.856,56 0.194,57 0.998,58 9.337,59 4.598,60 23.23,61 5.616,62 1.118,63 1.868,64 22.561,65 7.536,66 145.25,67 9.618,68 0.804,69 1.798,70 26.07,71 8.765,72 62.004,73 11.572,74 0.919,75 2.061,76 31.254,77 10.574,78 74.843,79 13.975,80 1.214,81 1.961,82 38.345,83 11.061,84 143.415,85 14.769,86 1.282,87 1.647,88 32.279,89 8.312,90 135.75,91 11.135,92 0.873,93 1.602,94 26.49,95 7.691,96 71.724,97 10.737,98 1.166,99 1.702,100 29.103,101 8.482,102 101.051,103 11.808,104 51,105 50,106 0.302,107 0.63,108 0.816,109 0.864,110 0.87,111 0.87,112 3.441,113 0.877,114 -5.95,115 -5.81,116 -5.4,119 38.5,120 3,125 4,127 1,132 1,135 1,139 1,142 3,143 3,158 2,159 1,166 1,172 7,174 6,175 8,183 8,186 3,187 5,195 5,198 5,199 8,207 2,211 2,212 10,220 4,224 12,232 4,236 3,237 10,245 3,249 1,250 7,258 3,263 4,271 3,275 1444,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 17.922,282 27.134,283 10.953,284 20.169,285 16.267,286 16.267,287 16.267,288 16.267,289 16.267,290 13.863,291 34.598,292 5.191,293 17.558,294 3.902,295 1.949,296 0.842,297 0.558,298 0.52,299 0.52,300 4.128,304 1,305 1,306 658,307 3.536,310 64.583,311 263.258,314 117.857,318 1.618,319 52.846,322 0.75,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.94,330 69,331 308,332 4.588,333 4.472,334 7.265,335 4.292,336 3.396,337 4.122,338 3.825,339 12.293,340 3.115,341 4.509,342 3.834,343 6.849,344 4.191,345 3.267,346 3.873,347 1.486,348 11.389,349 3.019,350 4.039,351 3.347,352 6.178,353 3.766,354 2.843,355 3.268,356 1.222,357 9.184,358 2.615,359 3.892,360 3.176,361 6.061,362 3.603,363 2.669,364 3.12,365 0.98,366 8.618,367 2.443,368 3.612,369 2.998,370 5.799,371 3.351,372 2.397,373 2.721,374 0.86,375 7.626,376 2.262,377 3.361,378 2.706,379 5.062,380 3.102,381 2.175,382 2.465,383 0.842,384 6.087,385 2.003,386 3.204,387 2.44,388 4.969,389 2.692,390 1.762,391 2.244,392 0.586,393 5.297,394 1.633,395 2.94,396 2.102,397 4.78,398 2.564,399 1.618,400 2.075,401 0.181,402 4.904,403 1.493,404 2.856,405 1.712,406 4.382,407 2.414,408 1.414,409 1.984,411 4.013,412 1.414,413 2.561,414 1.618,415 4.095,416 2.359,417 1.409,418 1.527,420 3.194,421 1.331,422 2.406,423 1.52,424 3.872,425 2.12,426 1.17,427 1.322,428 3.141,429 1.1,430 2.134,431 1.51,432 3.476,433 1.94,434 1.027,435 1.107,436 2.507,437 0.929,438 1.69,439 0.956,440 3.251,441 1.308,442 0.326,443 0.38,445 0.867,446 0.318,447 1.312,448 0.567,449 2.901,450 0.929,451 -0.053,452 -0.065,454 -0.131,455 -0.051,456 0.922,457 0.51,458 2.714,459 0.58,460 -0.397,461 -0.401,463 -0.886,464 -0.366,465 13.524,466 0.451,467 1.111,468 0.037,469 32.75,470 1.092,471 12,472 0.4,473 20.75,474 0.692,475 30.501,476 1.017,477 34.476,478 0.663,479 29.29,480 0.976,481 6.776,482 0.226,483 7.371,484 0.246,485 0.199,486 0.037,487 0.385,490 3,493 0.607,494 1.224,495 0.65,496 1.278,497 0.566,498 1.057,499 0.567,500 0.752,501 0.649,502 0.862,503 0.366,504 0.804,505 0.815,506 0.968,507 0.899,508 1.002,509 0.576,510 0.986,511 0.785,512 1.087,513 0.986,514 1.17,515 0.754,516 1.152,517 1.039,518 1.033,519 0.952,520 0.922,521 1.061,522 0.897,523 1.208,524 0.817,525 1.203,526 0.836,527 1.287,528 0.961,529 0.81,530 0.926,531 1.017,532 1.016,533 0.727,534 1.052,535 0.746,536 0.776,537 0.904,538 1.03,539 0.864,540 1.042,541 8,542 0.202,543 4.444,544 3.076,545 2.258,546 1.306,547 0.817,548 0.771,549 0.458,550 0.294,551 10752,552 36247,553 2.02,554 42.3,555 3,556 13,560 3,561 3,564 1.733,565 1.827,566 3.352,567 -0.66,569 1,573 93.512,574 1.798,575 3.752,576 4.859,577 5.142,578 5.181,579 5.181,580 2.759,581 4.682,582 4.88,583 3.525,584 1533.51,585 8.535,586 20629.6,588 1,590 1,591 296.423,592 1.715,593 4.797,594 0.242,595 0.009,596 0.089,597 0.059,598 0.046,599 0.028,600 0.019,601 0.018,602 0.012,603 0.011,604 0.534,605 0.33,606 0.88,607 0.817,608 151.913,609 -0.018,610 -0.204,611 0.058,612 -0.158,613 -0.072,614 -0.058,615 0.315,616 0.255,617 0.234,618 0.133,619 0.39,620 0.142,621 -0.089,622 -0.116,623 -0.051,624 -0.02,625 -0.001,626 -0.024,627 -0.024,628 -0.143,629 -0.092,630 -0.183,631 0.001,632 -0.169,633 -0.101,634 -0.063,635 0.053,636 0.046,637 -0.094,638 0.103,639 -0.213,640 0.104,641 -0.24,642 0.082,643 -0.231,644 -0.043,645 -0.068,646 -0.108,647 -0.13,648 -0.098,649 -0.038,650 -0.116,651 0.207,652 0.161,653 0.071,654 -0.078,655 0.123,656 -0.078,657 5.679,658 5.635,659 0.7,660 26.209,661 1.03,662 1.155,663 4.722,664 22.302,665 0.642,666 3.526,667 3.932,668 4.205,669 4.5,670 4.736,671 4.836,672 5.03,673 5.198,674 5.288,675 5.384,676 6.349,677 0.634,678 421.47,679 3.526,680 5.118,681 5.989,682 6.907,683 7.798,684 8.716,685 9.616,686 10.534,687 11.44,688 12.359,689 9.6,692 2,696 1,698 2,704 3,709 3,711 6,731 52,733 10,734 1,735 33,737 55,738 20,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 4,755 1,757 1,758 1,761 11,762 9,766 4,771 1,773 1,774 2,775 4,778 1,779 3,781 22,782 10,784 10,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,844 3,846 3,848 30,854 4,856 1,858 1,859 3,860 1,869 3,870 3.8,873 1,874 1,877 16.417,878 10.429,879 6.278,880 3.146,881 2.228,882 1.281,883 0.977,884 5.372,885 10.152,886 3.714,887 4.284,888 4.785,889 5.303,890 5.762,891 6.001,892 6.344,893 6.652,894 6.906,895 7.167,896 0.857,897 52,898 11.619,900 5.502,901 8.192,902 20.648,904 17.159,905 2.692,906 80.75,908 1,909 1,910 258.964,911 103.866,912 42.699,914 36.145,915 44.88,917 103.866,918 295.109,919 87.579,920 26.476,921 13.911,922 37.905,923 43.177,924 96.462,925 1.899,926 258.964,927 7.76,928 258.964,929 146.565,930 81.025,933 223.651,934 105.339,935 11,937 87.844,938 49.245,939 9.476,941 303.845,942 78.844,943 103.866,946 266.724,947 31.726,948 73.631,950 114.474,951 258.964,952 123.724,953 103.866,955 0.607,956 0.351,957 0.188,958 0.102,959 26,960 13,961 0.055,962 3,963 1,964 1.095,965 3.908,966 282.425,967 0.095,968 21,969 142.452,974 20.891,975 7.715,976 3.998,978 123.724,979 4.101,984 -0.028,987 486.554,988 40,993 12.635,995 1.428,996 8.874,997 0.962,999 53.538,1000 60.081,1001 0.315,1002 0.658,1003 0.852,1004 0.902,1005 0.909,1006 0.909,1007 5.034,1008 1.618,1009 6.047,1010 5.297,1011 4.615,1012 4.97,1013 3.475,1014 6.948,1015 4.473,1016 6.266,1017 1.414,1018 7.675,1019 4.904,1020 4.511,1021 4.924,1022 3.964,1023 8.141,1024 4.232,1025 7.606,1026 1.409,1027 9.407,1028 4.013,1029 6.344,1030 7.076,1031 5.477,1032 11.211,1033 6.045,1034 8.976,1035 1.17,1036 11.201,1037 3.194,1038 6.995,1039 7.772,1040 6.699,1041 13.181,1042 6.56,1043 10.376,1044 1.027,1045 13.033,1046 3.141,1047 8.395,1048 9.49,1049 8.064,1050 15.843,1051 7.922,1052 11.798,1053 0.326,1054 14.892,1055 2.507,1056 9.362,1057 10.531,1058 9.39,1059 18.117,1060 8.77,1061 13.237,1062 -0.053,1063 16.771,1064 0.867,1065 10.617,1066 12.072,1067 10.735,1068 20.652,1069 9.966,1070 3.396,1071 -0.397,1072 18.665,1073 -0.131,1074 11.716,1075 13.284,1076 12.074,1077 23.05,1078 10.963,1079 3.267,1080 12.293,1081 20.572,1082 -0.886,1083 12.925,1084 14.747,1085 13.417,1086 25.547,1087 12.1,1088 2.843,1089 11.389,1090 22.488,1091 4.122,1092 14.079,1093 16.047,1094 14.758,1095 27.995,1096 13.161,1097 2.669,1098 9.184,1099 24.413,1100 3.873,1101 15.277,1102 17.475,1103 16.1,1104 30.483,1105 14.28,1106 2.397,1107 8.618,1108 26.344,1109 3.268,1110 16.457,1111 18.82,1112 17.441,1113 32.954,1114 15.372,1115 2.175,1116 7.626,1117 28.281,1118 3.12,1119 17.654,1120 20.233,1121 18.783,1122 35.442,1123 16.487,1124 1.762,1125 6.087,1126 30.224,1127 2.721,1128 18.846,1129 21.603,1130 20.124,1131 37.924,1132 17.593,1133 10415,1134 19322,1135 21.096,1136 33.364,1137 52.272,1138 51.694,1139 53.291,1140 51.139,1141 50.947,1142 60.414,1143 19.963,1144 158.24,1145 47.353,1146 5.588,1147 6.472,1148 6.817,1149 5.397,1150 5.396,1151 7.122,1152 5.335,1153 20.015,1154 5.115,1155 18.726,1156 1.584,1157 1.566,1158 1.615,1159 1.55,1160 1.544,1161 1.831,1162 0.605,1163 4.795,1164 1.435,1165 4.024,1166 4.069,1167 3.987,1168 3.922,1169 8.513,1170 3.926,1171 3.909,1172 3.947,1173 3.874,1174 3.727,1175 7.999,1176 3.761,1177 3.758,1178 3.815,1179 3.664,1180 3.535,1181 7.999,1182 3.559,1183 3.469,1184 3.517,1185 3.408,1186 3.294,1187 7.429,1188 3.306,1189 3.336,1190 3.389,1191 3.315,1192 3.09,1193 4.891,1194 3.111,1195 3.26,1196 3.346,1197 3.054,1198 3.073,1199 4.669,1200 3.062,1201 3.174,1202 3.258,1203 2.991,1204 3.033,1205 4.638,1206 3.01,1207 3.067,1208 3.156,1209 2.926,1210 2.789,1211 4.385,1212 2.807,1213 0.139,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.588,1219 0.125,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.292,1225 0.094,1226 3.396,1227 4.122,1228 3.825,1229 12.293,1230 3.115,1231 1.951,1232 1.928,1233 2.053,1234 2.047,1235 1.246,1236 2.046,1237 1.795,1238 1.747,1239 1.967,1240 2.013,1241 1.237,1242 1.999,1243 1.584,1244 1.541,1245 1.728,1246 1.819,1247 0.907,1248 1.785,1249 1.505,1250 1.437,1251 1.712,1252 1.74,1253 0.847,1254 1.733,1255 1.297,1256 1.212,1257 1.614,1258 1.524,1259 0.732,1260 1.564,1261 1.21,1262 1.141,1263 1.553,1264 1.47,1265 0.633,1266 1.47,1267 1.197,1268 1.132,1269 1.45,1270 1.418,1271 0.598,1272 1.436,1273 0.975,1274 0.906,1275 1.299,1276 1.308,1277 0.468,1278 1.27,1279 4.205,1281 5.587,1282 2.398,1283 7.154,1284 4.844,1285 8.805,1286 7.034,1287 10.501,1289 5.1,1291 39.871,1295 1.861,1297 5.544,1299 0.012,1300 4.82,1301 -4.429,1305 32.955,1306 93.512,1307 195.1,1308 252.648,1309 267.403,1310 269.403,1311 269.403,1312 70.951,1313 7.924,1314 64.66,1315 64.66,1316 23,1317 12.87,1318 3.459,1319 3,1320 46.844,1321 113,1322 107,1323 0.203,1324 198.11,1325 366.53,1326 475.15,1327 29831,1328 5.8,1329 21.629,1330 0.721,1331 0.563,1332 19.129,1333 16.902,1334 14.147,1335 0.429,1336 0.292,1337 9.413,1338 13.246,1339 9.17,1340 7.523,1341 12.936,1342 9.644,1343 14.203,1344 0.284,1345 0.15,1346 12.208,1347 7.513,1348 11.254,1349 0.171,1350 0.082,1351 10.549,1352 5.387,1353 9.68,1354 0.109,1355 0.042,1356 8.696,1357 3.77,1358 7.767,1359 0.069,1360 0.022,1361 7.198,1362 2.499,1363 0.312,1364 91.083,1365 0.218,1366 27.807,1367 0.575,1368 166,1369 692.03,1370 201.069,1371 576.342,1372 762.04,1373 536,1374 199,1375 549.207,1376 229.308,1377 528.737,1378 802.83,1379 496,1380 6.447}
{0 CHEMBL2018360,1 1.899,2 10.258,3 5.052,4 25.522,5 113.697,6 8.557,7 0.176,8 4.1,9 4.213,10 3.809,11 3.591,12 5.231,13 3.588,14 4.698,15 4.872,16 4.268,17 3.967,18 6.216,19 3.971,20 4.852,21 5.026,22 4.305,23 4.133,24 6.041,25 4.113,26 5.003,27 5.214,28 4.325,29 4.194,30 6.232,31 4.149,32 5.054,33 5.292,34 4.309,35 4.169,36 6.233,37 4.111,38 4.971,39 5.193,40 4.25,41 4.107,42 6.179,43 4.066,44 4.866,45 5.046,46 4.235,47 4.1,48 6.108,49 4.045,50 4.872,51 5.072,52 4.303,53 4.023,54 6.276,55 3.965,56 0.201,57 1.034,58 9.183,59 5.065,60 23.202,61 5.676,62 1.133,63 1.937,64 26.019,65 8.298,66 144.841,67 9.8,68 0.766,69 1.855,70 25.385,71 9.588,72 59.779,73 11.672,74 0.963,75 2.165,76 33.636,77 11.272,78 75.877,79 13.657,80 1.204,81 2.123,82 39.427,83 12.545,84 135.606,85 14.682,86 1.3,87 1.831,88 37.075,89 10.028,90 129.718,91 11.882,92 0.908,93 1.785,94 30.527,95 9.997,96 82.047,97 11.233,98 1.195,99 1.987,100 37.717,101 10.866,102 94.419,103 12.107,104 54,105 51,106 0.318,107 0.645,108 0.839,109 0.867,110 0.873,111 0.873,112 3.473,113 0.969,114 -6.22,115 -6.06,116 -5.63,119 37.7,120 2,124 1,125 4,127 1,132 1,135 1,139 1,142 3,143 3,158 1,159 2,166 1,172 7,174 6,175 8,183 8,186 3,187 5,195 5,198 5,199 8,207 2,211 2,212 10,220 4,224 12,232 4,236 3,237 10,245 3,249 1,250 7,258 3,263 4,271 3,275 1620,276 20.289,277 20.289,278 20.289,279 20.289,280 20.289,281 18.845,282 26.724,283 11.478,284 21.307,285 16.704,286 16.704,287 16.704,288 16.704,289 16.704,290 14.284,291 32.99,292 5.35,293 18.3,294 3.829,295 1.874,296 0.713,297 0.548,298 0.51,299 0.51,300 4.16,304 1,305 1,306 677,307 3.674,310 67.072,311 273.427,314 122.958,318 1.573,319 53.691,322 0.75,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.92,330 71,331 318,332 4.589,333 4.492,334 7.265,335 4.292,336 3.396,337 4.122,338 3.825,339 12.293,340 3.111,341 4.516,342 4.471,343 6.869,344 4.19,345 3.277,346 3.879,347 3.647,348 11.491,349 3.006,350 4.05,351 3.726,352 6.188,353 3.767,354 2.849,355 3.286,356 1.366,357 9.224,358 2.602,359 3.894,360 3.216,361 6.061,362 3.603,363 2.669,364 3.124,365 1.004,366 8.619,367 2.442,368 3.626,369 3.161,370 5.839,371 3.355,372 2.423,373 2.728,374 0.88,375 7.793,376 2.237,377 3.376,378 2.968,379 5.121,380 3.102,381 2.176,382 2.497,383 0.86,384 6.1,385 2.003,386 3.234,387 2.681,388 5.036,389 2.726,390 1.855,391 2.268,392 0.692,393 5.687,394 1.597,395 2.941,396 2.467,397 4.788,398 2.565,399 1.619,400 2.075,401 0.324,402 4.923,403 1.493,404 2.856,405 2.114,406 4.387,407 2.414,408 1.418,409 1.984,410 0.168,411 4.018,412 1.414,413 2.566,414 1.731,415 4.149,416 2.363,417 1.414,418 1.532,420 3.253,421 1.331,422 2.407,423 1.636,424 3.873,425 2.123,426 1.174,427 1.329,428 3.162,429 1.101,430 2.138,431 1.538,432 3.479,433 1.952,434 1.055,435 1.116,436 2.518,437 0.936,438 1.833,439 1.512,440 3.3,441 1.4,442 0.527,443 0.613,445 1.108,446 0.442,447 1.401,448 1.131,449 2.991,450 1.125,451 0.21,452 0.232,454 0.429,455 0.191,456 1.308,457 0.67,458 2.723,459 0.762,460 -0.176,461 -0.224,463 -0.395,464 -0.162,465 14.357,466 0.463,467 1.073,468 0.035,469 33.25,470 1.073,471 12,472 0.387,473 21.25,474 0.685,475 33.575,476 1.083,477 35.443,478 0.669,479 29.11,480 0.939,481 6.434,482 0.208,483 8.251,484 0.266,485 0.187,486 0.035,487 0.362,490 3,493 0.612,494 1.174,495 0.654,496 1.118,497 0.567,498 1.011,499 0.573,500 0.774,501 0.829,502 0.973,503 0.371,504 0.822,505 0.786,506 1.008,507 0.767,508 0.954,509 0.575,510 0.981,511 0.831,512 1.055,513 0.974,514 1.051,515 0.78,516 1.066,517 1.066,518 1.047,519 0.908,520 0.894,521 1.083,522 0.917,523 1.146,524 0.757,525 1.102,526 0.77,527 1.17,528 0.826,529 0.897,530 0.965,531 1.269,532 1.162,533 0.866,534 1.138,535 0.755,536 0.846,537 1.208,538 1.299,539 0.886,540 1.114,541 8,542 0.215,543 4.444,544 3.076,545 2.383,546 1.361,547 0.913,548 0.786,549 0.553,550 0.324,551 11497,552 40178,553 2.02,554 41.5,555 3,556 16,561 3,564 1.743,565 1.833,566 3.353,567 -0.639,573 100.669,574 1.899,575 3.854,576 5.015,577 5.18,578 5.218,579 5.218,580 2.75,581 4.736,582 4.927,583 3.522,584 1637.93,585 8.639,586 22530.8,588 1,591 303.58,592 1.705,593 4.848,594 0.235,595 0.009,596 0.087,597 0.057,598 0.046,599 0.028,600 0.019,601 0.017,602 0.013,603 0.01,604 0.521,605 0.17,606 0.88,607 0.9,608 158.301,609 -0.022,610 -0.178,611 0.064,612 -0.086,613 -0.072,614 -0.044,615 0.316,616 0.234,617 0.122,618 0.045,619 0.391,620 0.12,621 -0.059,622 -0.162,623 0.022,624 -0.031,625 0.01,626 -0.028,627 -0.047,628 -0.109,629 -0.073,630 -0.102,631 -0.011,632 -0.108,633 -0.114,634 -0.048,635 0.067,636 0.07,637 -0.103,638 0.073,639 -0.186,640 0.163,641 -0.094,642 0.183,643 -0.182,644 0.105,645 -0.119,646 -0.104,647 -0.24,648 -0.111,649 -0.088,650 -0.194,651 0.199,652 0.153,653 -0.014,654 -0.157,655 0.091,656 -0.135,657 5.686,658 5.741,659 0.677,660 27.944,661 1.03,662 1.151,663 4.99,664 24.905,665 0.661,666 3.555,667 3.951,668 4.234,669 4.533,670 4.779,671 4.905,672 5.094,673 5.263,674 5.38,675 5.464,676 6.378,677 0.644,678 453.54,679 3.555,680 5.142,681 6.014,682 6.93,683 7.824,684 8.743,685 9.645,686 10.565,687 11.473,688 12.394,689 9.4,692 2,696 1,698 2,704 3,709 3,711 6,731 53,733 10,734 1,735 34,737 56,738 20,739 6,740 3,741 3,742 4,746 4,747 5,750 1,752 3,755 1,757 1,758 1,761 11,762 9,766 4,771 1,773 1,774 2,775 4,779 3,781 22,782 10,784 11,785 1,790 5,794 0.75,795 2,811 1,812 3,815 1,831 1,836 2,839 1,840 3,841 1,842 1,844 3,846 3,848 31,854 4,856 1,857 1,858 1,859 3,860 1,869 3,870 3.8,873 1,874 1,877 16.917,878 10.595,879 6.611,880 3.104,881 2.218,882 1.278,883 0.974,884 6.08,885 10.196,886 3.738,887 4.297,888 4.81,889 5.322,890 5.787,891 6.047,892 6.387,893 6.704,894 6.978,895 7.232,896 0.857,897 54,898 11.999,900 5.649,901 8.164,902 21.386,904 17.706,905 2.664,906 82.583,909 1,910 258.964,911 132.816,912 42.699,914 36.145,915 44.88,916 32.22,917 100.596,918 295.109,919 87.579,920 24.841,921 13.911,922 37.905,923 40.849,924 96.462,925 2.592,926 291.184,927 7.76,928 258.964,929 143.295,930 81.025,931 32.22,933 223.651,934 105.339,935 11,937 79.018,938 54.801,939 9.476,940 32.22,941 303.845,942 78.844,943 132.816,946 266.724,947 62.311,948 71.996,950 114.474,951 258.964,952 123.724,953 132.816,955 0.6,956 0.352,957 0.191,958 0.105,959 26,960 13,961 0.071,962 4,963 1,964 1.095,965 3.964,966 296.082,967 0.095,968 21,969 148.825,970 1,974 22.191,975 8.494,976 4.341,978 123.724,979 4.112,984 -0.035,987 515.504,988 41,993 12.741,995 1.433,996 8.989,997 0.959,999 54.614,1000 61.001,1001 0.332,1002 0.673,1003 0.876,1004 0.904,1005 0.911,1006 0.911,1007 5.053,1008 1.619,1009 6.066,1010 5.687,1011 4.635,1012 4.984,1013 4.019,1014 6.967,1015 4.472,1016 6.279,1017 1.418,1018 7.692,1019 4.923,1020 4.511,1021 4.924,1022 4.053,1023 8.162,1024 4.211,1025 7.617,1026 1.414,1027 9.424,1028 4.018,1029 6.361,1030 7.088,1031 6.323,1032 11.233,1033 6.033,1034 8.987,1035 1.174,1036 11.217,1037 3.253,1038 7.004,1039 7.781,1040 6.855,1041 13.205,1042 6.539,1043 10.387,1044 1.055,1045 13.05,1046 3.162,1047 8.411,1048 9.501,1049 8.891,1050 15.867,1051 7.903,1052 11.81,1053 0.527,1054 14.909,1055 2.518,1056 9.374,1057 10.541,1058 9.58,1059 18.144,1060 8.746,1061 13.249,1062 0.21,1063 16.788,1064 1.108,1065 10.631,1066 12.082,1067 11.495,1068 20.68,1069 9.942,1070 3.396,1071 -0.176,1072 18.682,1073 0.429,1074 11.729,1075 13.295,1076 12.285,1077 23.079,1078 10.935,1079 3.277,1080 12.293,1081 20.588,1082 -0.395,1083 12.939,1084 14.757,1085 14.108,1086 25.577,1087 12.071,1088 2.849,1089 11.491,1090 22.504,1091 4.122,1092 14.094,1093 16.057,1094 14.98,1095 28.027,1096 13.13,1097 2.669,1098 9.224,1099 24.429,1100 3.879,1101 15.292,1102 17.485,1103 16.728,1104 30.516,1105 14.247,1106 2.423,1107 8.619,1108 26.36,1109 3.286,1110 16.473,1111 18.83,1112 17.669,1113 32.988,1114 15.336,1115 2.176,1116 7.793,1117 28.297,1118 3.124,1119 17.671,1120 20.242,1121 19.353,1122 35.476,1123 16.45,1124 1.855,1125 6.1,1126 30.24,1127 2.728,1128 18.864,1129 21.613,1130 20.353,1131 37.959,1132 17.554,1133 11178,1134 21100,1135 21.789,1136 35.012,1137 53.294,1138 55.624,1139 54.71,1140 52.258,1141 52.125,1142 61.574,1143 25.533,1144 161.235,1145 47.81,1146 5.589,1147 6.492,1148 6.817,1149 5.397,1150 5.396,1151 7.122,1152 7.295,1153 20.015,1154 5.111,1155 19.215,1156 1.567,1157 1.636,1158 1.609,1159 1.537,1160 1.533,1161 1.811,1162 0.751,1163 4.742,1164 1.406,1165 4.019,1166 4.061,1167 4.043,1168 3.923,1169 8.513,1170 3.925,1171 3.907,1172 3.945,1173 3.898,1174 3.73,1175 7.999,1176 3.758,1177 3.748,1178 3.802,1179 3.76,1180 3.545,1181 7.999,1182 3.553,1183 3.447,1184 3.488,1185 3.565,1186 3.339,1187 7.429,1188 3.298,1189 3.328,1190 3.38,1191 3.376,1192 3.124,1193 4.88,1194 3.117,1195 3.259,1196 3.339,1197 3.147,1198 3.089,1199 4.669,1200 3.065,1201 3.177,1202 3.259,1203 3.054,1204 3.037,1205 4.634,1206 3.015,1207 3.126,1208 3.213,1209 2.959,1210 2.892,1211 4.361,1212 2.89,1213 0.135,1214 0.132,1215 0.214,1216 0.126,1217 0.1,1218 4.589,1219 0.121,1220 4.492,1221 0.113,1222 7.265,1223 0.362,1224 4.292,1225 0.092,1226 3.396,1227 4.122,1228 3.825,1229 12.293,1230 3.111,1231 1.951,1232 1.928,1233 2.052,1234 2.045,1235 1.245,1236 2.044,1237 1.795,1238 1.747,1239 1.967,1240 2.013,1241 1.236,1242 1.999,1243 1.584,1244 1.541,1245 1.715,1246 1.818,1247 0.906,1248 1.785,1249 1.426,1250 1.384,1251 1.616,1252 1.63,1253 0.809,1254 1.629,1255 1.296,1256 1.212,1257 1.559,1258 1.522,1259 0.712,1260 1.564,1261 1.212,1262 1.155,1263 1.548,1264 1.444,1265 0.65,1266 1.47,1267 1.208,1268 1.133,1269 1.486,1270 1.418,1271 0.601,1272 1.466,1273 1.009,1274 0.945,1275 1.301,1276 1.352,1277 0.469,1278 1.293,1279 4.234,1281 5.609,1282 2.398,1283 7.174,1284 4.844,1285 8.825,1286 7.05,1287 10.521,1289 5.201,1291 40.057,1295 1.841,1297 5.558,1298 1.303,1299 0.008,1300 4.852,1301 -4.436,1305 34.142,1306 100.669,1307 204.256,1308 265.805,1309 274.56,1310 276.56,1311 276.56,1312 74.81,1313 7.978,1314 64.66,1315 89.96,1316 23,1317 12.904,1318 3.459,1319 3,1320 49.125,1321 116,1322 114,1323 0.205,1324 209.241,1325 385.04,1326 502.309,1327 31395,1328 5.7,1329 22.336,1330 0.721,1331 0.585,1332 20.19,1333 18.126,1334 14.685,1335 0.432,1336 0.323,1337 9.633,1338 13.321,1339 9.263,1340 7.608,1341 14.031,1342 10.981,1343 14.395,1344 0.282,1345 0.161,1346 12.866,1347 8.226,1348 11.584,1349 0.17,1350 0.088,1351 11.376,1352 6.018,1353 9.957,1354 0.108,1355 0.047,1356 9.44,1357 4.286,1358 7.995,1359 0.068,1360 0.025,1361 7.942,1362 2.897,1363 0.315,1364 99.888,1365 0.214,1366 28.504,1367 0.587,1368 170,1369 710.89,1370 225.124,1371 614.445,1372 810.24,1373 572,1374 204,1375 566.921,1376 249.951,1377 559.111,1378 848.44,1379 522,1380 5.886}
{0 CHEMBL2018676,1 1.724,2 7.88,3 3.325,4 11.055,5 95.113,6 8.463,7 0.607,8 3.867,9 3.952,10 3.707,11 3.483,12 4.928,13 3.443,14 4.424,15 4.557,16 4.022,17 3.851,18 5.694,19 3.814,20 4.658,21 4.838,22 4.144,23 3.977,24 5.861,25 3.912,26 4.647,27 4.826,28 4.113,29 3.931,30 5.935,31 3.867,32 4.607,33 4.767,34 4.112,35 3.939,36 5.868,37 3.89,38 4.66,39 4.792,40 4.04,41 3.972,42 5.96,43 3.931,44 4.698,45 4.864,46 3.781,47 3.957,48 5.935,49 3.873,50 4.629,51 4.879,52 3.328,53 3.808,54 5.466,55 3.628,56 0.082,57 0.635,58 9.377,59 4.326,60 15.263,61 4.559,62 0.353,63 1.056,64 16.263,65 6.657,66 47.9,67 7.384,68 0.512,69 1.337,70 25.705,71 8.854,72 48.276,73 10.255,74 0.523,75 1.292,76 25.126,77 8.761,78 63.679,79 9.743,80 0.44,81 1.267,82 27.268,83 8.81,84 58.924,85 8.783,86 0.565,87 1.262,88 26.792,89 8.935,90 82.209,91 8.451,92 0.628,93 1.205,94 22.214,95 9.184,96 86.557,97 10.663,98 0.273,99 1.112,100 22.98,101 9.81,102 37.316,103 13.348,104 5,105 40,106 0.298,107 0.556,108 0.651,109 0.743,110 0.783,111 0.799,112 3.269,113 1.022,114 -3.26,115 -3.24,116 -3.11,119 42.9,125 4,142 9,144 1,146 2,147 2,172 7,174 2,175 2,183 6,186 5,187 8,195 3,198 4,199 9,211 1,212 12,223 1,224 10,232 2,236 2,237 5,245 6,250 4,258 7,263 3,271 4,275 908,276 17.101,277 17.101,278 17.101,279 17.101,280 17.101,281 14.92,282 13.154,283 10.229,284 17.747,285 13.862,286 13.862,287 13.862,288 13.862,289 13.862,290 10.532,291 15.528,292 4.879,293 14.951,294 3.668,295 2.168,296 1.622,297 1.086,298 0.857,299 0.762,300 3.967,303 1,304 1,305 1,306 432,307 3,311 255.619,315 104.681,318 1.104,319 34.651,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 197,332 5.01,333 5.359,334 7.736,335 4.432,336 3.568,337 4.917,338 2.95,339 13.995,340 3.071,341 4.404,342 3.347,343 6.459,344 3.888,345 2.95,346 4.301,347 0.86,348 9.93,349 2.755,350 3.925,351 2.861,352 6.049,353 3.595,354 2.653,355 3.364,356 0.8,357 8.675,358 2.484,359 3.568,360 2.766,361 5.451,362 3.098,363 2.14,364 3.002,366 6.303,367 2.041,368 3.164,369 2.249,370 4.6,371 2.745,372 1.811,373 2.47,375 4.702,376 1.685,377 3.076,378 1.8,379 4.499,380 2.591,381 1.64,382 2.22,384 4.476,385 1.556,386 2.877,387 1.613,388 3.83,389 2.403,390 1.428,391 2.019,393 3.056,394 1.391,395 2.683,396 1.472,397 3.626,398 2.219,399 1.289,400 1.735,402 2.944,403 1.189,404 2.5,405 1.256,406 3.525,407 2.011,408 1.067,409 1.5,411 2.596,412 1,413 2.396,414 1.242,415 3.383,416 2,417 1,418 1.354,420 2.136,421 0.997,422 2.108,423 1,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 0.81,432 3.247,433 1.643,434 0.703,435 0.984,436 1.831,437 0.659,438 1.115,439 0.353,440 2.875,441 0.658,442 -0.269,443 -0.341,445 -0.693,446 -0.247,447 1,448 -0.102,449 2.663,450 0.447,451 -0.5,452 -0.71,454 -1.374,455 -0.468,456 0.969,457 -0.309,458 2.52,459 0.229,460 -0.731,461 -0.967,463 -1.647,464 -0.682,465 12.033,466 0.481,467 0.598,468 0.024,469 36.25,470 1.45,471 19.5,472 0.78,473 16.75,474 0.67,475 17.348,476 0.694,477 26.367,478 0.628,479 27.209,480 1.088,481 7.032,482 0.281,483 5.128,484 0.205,485 0.055,486 0.069,487 0.241,493 0.59,494 1.341,495 0.787,496 1.207,497 0.644,498 0.927,499 1.024,500 1.131,501 0.843,502 0.921,503 0.68,504 0.892,505 0.894,506 1.043,507 0.975,508 0.988,509 0.757,510 0.878,511 1.062,512 1.102,513 1.038,514 0.979,515 1.308,516 0.894,517 1.388,518 1.074,519 1.401,520 1.137,521 1.507,522 0.845,523 1.751,524 1.054,525 1.538,526 1.225,527 2.104,528 1.082,529 1.22,530 0.947,531 1.049,532 0.991,533 1.534,534 1.228,535 0.501,536 0.971,537 0.794,538 1.034,539 0.377,540 1.267,541 4.5,543 3.333,544 2,545 1.787,546 1.319,547 0.571,548 0.245,549 0.101,550 0.045,551 6386,552 17938,553 2.144,554 40.5,556 17,564 1.691,565 2.041,566 2.978,567 -0.711,568 1,569 1,571 1,573 72.422,574 1.724,575 3.224,576 3.77,577 4.306,578 4.535,579 4.63,580 2.402,581 4.244,582 4.616,583 3.106,584 931.752,585 8.04,586 10886.4,587 1,588 1,590 1,591 226.477,592 1.383,593 4.584,594 0.161,596 0.083,597 0.047,598 0.044,599 0.031,600 0.014,601 0.007,602 0.005,603 0.005,604 0.396,605 0.5,606 1,607 0.477,608 116.626,609 0.072,610 -0.216,611 0.213,612 -0.098,613 -0.128,614 -0.001,615 0.002,616 -0.058,617 0.052,618 0.03,619 0.14,620 -0.004,621 0.096,622 0.03,623 0.1,624 0.036,625 0.118,626 0.064,627 0.044,628 -0.025,629 0.06,630 0.042,631 0.031,632 0.033,633 -0.199,634 0.059,635 -0.124,636 0.006,637 -0.104,638 0.078,639 -0.359,640 0.019,641 -0.427,642 -0.168,643 -0.323,644 -0.203,645 -0.082,646 -0.042,647 -0.318,648 -0.147,649 -0.17,650 -0.3,651 0.056,652 -0.149,653 -0.051,654 -0.17,655 0.011,656 -0.196,657 4.683,658 6.181,659 0.88,660 17.933,661 1.013,662 1.118,663 2.026,664 4.104,665 0.699,666 3.367,667 3.714,668 4.025,669 4.304,670 4.605,671 4.682,672 4.852,673 4.927,674 5.004,675 4.913,676 5.036,677 0.669,678 355.45,679 3.367,680 4.92,681 5.79,682 6.688,683 7.584,684 8.494,685 9.401,686 10.316,687 11.229,688 12.147,689 7.1,695 1,699 2,703 2,704 9,705 2,709 3,711 17,726 1,731 42,733 19,734 2,735 28,737 45,738 18,739 14,740 3,741 9,746 4,747 5,761 14,762 4,766 2,769 1,771 2,777 1,778 1,781 17,782 6,784 7,785 1,790 3,794 0.75,795 3,802 1,812 4,816 1,839 1,840 3,842 1,848 25,851 1,854 4,856 1,859 1,870 7.1,873 2,874 1,877 12.25,878 7.517,879 5.417,880 2.492,881 3.403,882 1.464,883 1.025,884 4.22,885 10.739,886 3.676,887 4.331,888 4.949,889 5.55,890 6.178,891 6.525,892 6.991,893 7.33,894 7.721,895 7.816,896 1,897 43,898 9.558,900 4.456,901 7.85,902 17.7,904 14.996,905 2.35,906 58.75,909 1,910 200.109,911 114.017,912 36.695,914 55.313,916 6.046,917 107.971,918 255.422,919 36.695,921 13.396,922 91.332,923 88.884,924 8.963,925 3.45,926 200.109,928 200.109,929 144.667,930 55.313,931 6.046,933 200.109,934 44.313,935 11,937 17.684,938 93.411,939 39.617,941 200.109,942 92.008,943 114.017,945 6.046,946 200.109,947 22.685,948 88.411,950 88.884,951 200.109,952 92.008,953 114.017,955 0.583,956 0.348,957 0.193,958 0.113,959 21,960 8,961 0.067,962 3,963 1,964 1.091,965 3.592,966 222.927,967 0.091,968 22,969 106.096,973 1,974 16.16,975 6.528,976 3.024,977 1.241,978 92.008,979 15.653,980 9.085,984 0.61,987 406.134,988 38.5,991 -3.767,993 26.361,999 42.549,1000 46.95,1001 0.32,1002 0.598,1003 0.699,1004 0.799,1005 0.841,1006 0.859,1007 4.914,1008 1.289,1009 5.802,1010 3.056,1011 4.394,1012 5.017,1013 3.037,1014 6.698,1015 4.24,1016 6.154,1017 1.067,1018 7.418,1019 2.944,1020 4.111,1021 5.075,1022 0.325,1023 8.009,1024 3.768,1025 7.512,1026 1,1027 9.164,1028 2.596,1029 6.098,1030 7.394,1031 5.037,1032 11.14,1033 5.728,1034 8.923,1035 1,1036 10.994,1037 2.136,1038 6.711,1039 8.338,1040 0.268,1041 13.324,1042 6.108,1043 10.38,1044 0.703,1045 12.881,1046 2.136,1047 8.196,1048 10.167,1049 7.186,1050 16.077,1051 7.55,1052 11.869,1053 -0.269,1054 14.805,1055 1.831,1056 9.19,1057 11.479,1058 0.188,1059 18.554,1060 8.317,1061 13.384,1062 -0.5,1063 16.757,1064 -0.693,1065 10.506,1066 13.138,1067 9.348,1068 21.215,1069 9.549,1070 3.568,1071 -0.731,1072 18.729,1073 -1.374,1074 11.657,1075 14.602,1076 0.125,1077 23.794,1078 10.493,1079 2.95,1080 13.995,1081 20.716,1082 -1.647,1083 12.923,1084 16.203,1085 11.511,1086 26.434,1087 11.64,1088 2.653,1089 9.93,1090 22.714,1091 4.917,1092 14.137,1093 17.731,1094 0.082,1095 29.049,1096 12.667,1097 2.14,1098 8.675,1099 24.721,1100 4.301,1101 15.393,1102 19.314,1103 13.675,1104 31.686,1105 13.783,1106 1.811,1107 6.303,1108 26.736,1109 3.364,1110 16.635,1111 20.87,1112 0.054,1113 34.315,1114 14.849,1115 1.64,1116 4.702,1117 28.757,1118 3.002,1119 17.892,1120 22.449,1121 15.838,1122 36.952,1123 15.955,1124 1.428,1125 4.476,1126 30.782,1127 2.47,1128 19.146,1129 24.019,1130 0.035,1131 39.587,1132 17.041,1133 6051,1134 10301,1135 19.068,1136 29.358,1137 42.423,1138 44.066,1139 42.767,1140 42.615,1141 42.498,1142 57.733,1143 9.22,1144 125.556,1145 39.546,1146 6.01,1147 7.359,1148 7.538,1149 5.566,1150 5.568,1151 7.917,1152 5.9,1153 22.389,1154 5.071,1155 8.064,1156 1.515,1157 1.574,1158 1.527,1159 1.522,1160 1.518,1161 2.062,1162 0.329,1163 4.484,1164 1.412,1165 4.16,1166 4.159,1167 4.755,1168 4.142,1169 7.715,1170 4.068,1171 3.941,1172 3.952,1173 3.965,1174 3.882,1175 6.999,1176 3.867,1177 3.753,1178 3.806,1179 3.676,1180 3.601,1181 5.034,1182 3.586,1183 3.617,1184 3.604,1185 3.636,1186 3.506,1187 4.714,1188 3.475,1189 3.218,1190 3.243,1191 3.196,1192 3.054,1193 4.619,1194 3.052,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.346,1200 2.91,1201 2.941,1202 3.003,1203 2.85,1204 2.797,1205 4.095,1206 2.796,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.71,1212 2.715,1213 0.179,1214 0.191,1215 0.276,1216 0.158,1217 0.127,1218 5.01,1219 0.176,1220 5.359,1221 0.105,1222 7.736,1223 0.5,1224 4.432,1225 0.11,1226 3.568,1227 4.917,1228 2.95,1229 13.995,1230 3.071,1231 2.044,1232 2.044,1233 2.067,1234 2.144,1235 1.258,1236 2.148,1237 1.913,1238 1.896,1239 1.991,1240 1.981,1241 1.161,1242 2.008,1243 1.698,1244 1.648,1245 1.905,1246 1.922,1247 1.088,1248 1.92,1249 1.504,1250 1.514,1251 1.513,1252 1.617,1253 0.825,1254 1.657,1255 1.153,1256 1.088,1257 1.445,1258 1.376,1259 0.721,1260 1.429,1261 1.109,1262 1.064,1263 1.181,1264 1.304,1265 0.314,1266 1.307,1267 0.923,1268 0.865,1269 1.171,1270 1.108,1271 0.218,1272 1.125,1273 0.886,1274 0.821,1275 1.101,1276 1.062,1277 0.206,1278 1.107,1279 4.043,1281 5.38,1283 6.942,1285 8.602,1287 10.313,1295 2.257,1297 5.38,1300 1.929,1305 28.083,1306 72.422,1307 135.419,1308 158.338,1309 180.868,1310 190.477,1311 194.477,1312 44.247,1313 7.336,1314 72.39,1315 80.77,1316 24,1317 12.658,1318 4.322,1319 3.524,1320 35.45,1321 72,1322 77,1323 0.237,1324 173.942,1325 294.58,1326 416.179,1327 14104,1329 17.278,1330 0.691,1331 0.573,1332 17.528,1333 14.316,1334 12.16,1335 0.434,1336 0.341,1337 8.063,1338 10.926,1339 7.806,1340 6.402,1341 12.949,1342 9.541,1343 11.101,1344 0.278,1345 0.191,1346 12.401,1347 7.622,1348 9.583,1349 0.174,1350 0.106,1351 10.898,1352 5.816,1353 8.008,1354 0.11,1355 0.058,1356 9.239,1357 4.22,1358 6.905,1359 0.07,1360 0.032,1361 8.111,1362 3.154,1363 0.351,1364 84.237,1365 0.229,1366 23.493,1367 0.718,1368 136,1369 425.002,1370 189.653,1371 426.381,1372 583.35,1373 396,1374 163,1375 401.84,1376 226.19,1377 441.15,1378 654.2,1379 415,1380 6.357}
{0 CHEMBL2018677,1 1.693,2 8.538,3 3.07,4 9.424,5 99.763,6 8.211,7 0.586,8 3.925,9 4.017,10 3.728,11 3.545,12 4.99,13 3.497,14 4.48,15 4.618,16 4.061,17 3.936,18 5.737,19 3.884,20 4.785,21 4.979,22 4.19,23 4.067,24 5.969,25 3.991,26 4.792,27 4.995,28 4.145,29 4.001,30 6.048,31 3.925,32 4.667,33 4.844,34 4.125,35 3.987,36 5.89,37 3.93,38 4.704,39 4.841,40 4.067,41 4.037,42 6.016,43 3.985,44 4.765,45 4.934,46 3.892,47 4.057,48 5.94,49 3.964,50 4.759,51 4.993,52 3.554,53 3.951,54 5.88,55 3.783,56 0.092,57 0.677,58 10.612,59 4.677,60 20.498,61 5.121,62 0.271,63 1.137,64 17.449,65 7.338,66 50.376,67 8.746,68 0.475,69 1.484,70 29.885,71 10.219,72 64.78,73 12.352,74 0.674,75 1.439,76 31.059,77 10.039,78 84.187,79 11.659,80 0.39,81 1.34,82 29.623,83 9.369,84 61.502,85 9.944,86 0.525,87 1.337,88 27.774,89 9.312,90 86.996,91 9.402,92 0.49,93 1.333,94 26.11,95 10.139,96 86.077,97 11.867,98 0.476,99 1.263,100 26.93,101 11.055,102 91.781,103 14.748,104 10,105 42,106 0.288,107 0.574,108 0.678,109 0.763,110 0.799,111 0.814,112 3.306,113 1.038,114 -3.49,115 -3.47,116 -3.31,119 42.2,121 2,125 2,127 1,142 9,144 1,146 2,147 2,172 7,174 2,175 4,180 2,183 7,186 4,187 8,195 3,198 4,199 11,202 1,212 14,224 14,227 1,232 4,237 4,240 1,245 14,253 2,255 1,258 13,268 4,271 6,275 1020,276 17.548,277 17.548,278 17.548,279 17.548,280 17.548,281 15.368,282 14.535,283 10.315,284 18.076,285 14.328,286 14.328,287 14.328,288 14.328,289 14.328,290 10.998,291 18.56,292 4.915,293 15.272,294 3.798,295 2.124,296 1.514,297 1.014,298 0.8,299 0.711,300 4.001,303 1,304 1,305 1,306 484,307 3.082,311 270.238,315 111.293,318 1.154,319 38.613,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 222,332 5.01,333 5.359,334 7.736,335 4.433,336 3.568,337 4.917,338 2.95,339 13.995,340 3.072,341 4.404,342 3.347,343 6.46,344 3.892,345 2.955,346 4.301,347 0.8,348 9.934,349 2.756,350 3.934,351 2.875,352 6.05,353 3.635,354 2.685,355 3.365,357 8.684,358 2.537,359 3.582,360 2.767,361 5.467,362 3.263,363 2.308,364 3.004,366 6.492,367 2.195,368 3.36,369 2.483,370 5.023,371 3.03,372 2.07,373 2.477,375 5.849,376 1.978,377 3.152,378 1.812,379 4.503,380 2.602,381 1.646,382 2.418,384 4.547,385 1.567,386 2.941,387 1.645,388 4.498,389 2.52,390 1.568,391 2.124,393 4.306,394 1.491,395 2.768,396 1.476,397 3.75,398 2.349,399 1.371,400 1.849,402 2.988,403 1.333,404 2.622,405 1.279,406 3.617,407 2.104,408 1.122,409 1.623,411 2.703,412 1.098,413 2.5,414 1.077,415 3.458,416 2,417 1,418 1.5,420 2.275,421 1,422 2.196,423 1,424 3.414,425 1.984,426 1,427 1.057,428 2.136,429 0.983,430 2,431 0.826,432 3.247,433 1.68,434 0.731,435 1,436 1.925,437 0.691,438 1.178,439 0.36,440 2.883,441 0.855,442 -0.075,443 -0.084,445 -0.174,446 -0.069,447 1,448 0.158,449 2.701,450 0.486,451 -0.442,452 -0.581,454 -1.136,455 -0.402,456 0.987,457 -0.138,458 2.534,459 0.389,460 -0.558,461 -0.775,463 -1.493,464 -0.525,465 12.533,466 0.482,467 0.704,468 0.027,469 36.5,470 1.404,471 19.5,472 0.75,473 17,474 0.654,475 19.805,476 0.762,477 27.667,478 0.615,479 27.762,480 1.068,481 6.815,482 0.262,483 5.739,484 0.221,485 0.08,486 0.066,487 0.271,493 0.625,494 1.278,495 0.818,496 1.149,497 0.731,498 0.915,499 0.761,500 1.207,501 0.813,502 1.009,503 0.653,504 0.971,505 0.915,506 1.094,507 0.949,508 1.018,509 0.826,510 0.913,511 1.196,512 0.983,513 1.021,514 0.871,515 1.235,516 0.833,517 1.379,518 1.065,519 1.348,520 1.091,521 1.277,522 0.81,523 1.76,524 1.057,525 1.537,526 1.171,527 1.815,528 1.065,529 1.28,530 0.988,531 1.152,532 1.09,533 1.456,534 1.222,535 0.518,536 0.964,537 0.887,538 1.057,539 0.547,540 1.248,541 5.5,542 0.037,543 3.778,544 2.063,545 1.978,546 1.431,547 0.651,548 0.378,549 0.22,550 0.115,551 7083,552 19485,553 2.115,554 42.2,556 14,559 1,562 4,564 1.701,565 1.987,566 3.06,567 -0.294,568 1,569 1,573 76.202,574 1.693,575 3.368,576 3.978,577 4.478,578 4.692,579 4.781,580 2.44,581 4.085,582 4.67,583 3.186,584 1035.45,585 8.15,586 12420,588 1,590 1,591 247.133,592 1.508,593 4.629,594 0.19,595 0.007,596 0.09,597 0.046,598 0.047,599 0.033,600 0.015,601 0.011,602 0.009,603 0.009,604 0.456,605 0.5,606 1,607 0.54,608 123.32,609 0.04,610 -0.135,611 0.193,612 -0.023,613 -0.143,614 0.037,615 0.092,616 -0.116,617 0.067,618 -0.041,619 0.133,620 -0.051,621 0.07,622 -0.044,623 0.11,624 -0.004,625 0.066,626 0.043,627 0.042,628 0.066,629 0.084,630 0.128,631 -0.009,632 0.1,633 -0.22,634 0.066,635 -0.072,636 0.046,637 -0.087,638 0.128,639 -0.37,640 0.043,641 -0.422,642 -0.114,643 -0.255,644 -0.178,645 -0.209,646 -0.026,647 -0.325,648 -0.176,649 -0.241,650 -0.283,651 0.177,652 -0.11,653 -0.109,654 -0.166,655 0.16,656 -0.214,657 4.718,658 6.227,659 0.846,660 20,661 1.01,662 1.119,663 2.258,664 5.099,665 0.692,666 3.401,667 3.761,668 4.06,669 4.331,670 4.644,671 4.736,672 4.898,673 5.011,674 5.094,675 5.024,676 5.251,677 0.658,678 369.48,679 3.401,680 4.963,681 5.832,682 6.732,683 7.627,684 8.537,685 9.443,686 10.358,687 11.27,688 12.188,689 6.7,695 1,699 2,703 2,704 9,705 2,709 3,711 17,726 1,731 45,733 19,734 2,735 29,737 48,738 19,739 14,740 3,741 9,746 4,747 5,755 3,758 3,761 14,762 5,766 2,769 1,771 2,777 1,778 1,781 19,782 6,783 1,784 7,785 1,790 3,794 0.75,795 3,797 1,802 1,812 4,816 1,838 1,840 3,842 1,848 26,851 1,853 1,854 4,858 1,859 1,870 6.7,871 1,873 2,877 13.083,878 7.883,879 5.583,880 2.725,881 3.408,882 1.458,883 0.987,884 4.453,885 10.843,886 3.701,887 4.357,888 4.963,889 5.558,890 6.186,891 6.537,892 7.002,893 7.353,894 7.747,895 7.857,896 0.833,897 45,898 9.967,900 4.698,901 7.907,902 18.439,904 15.891,905 2.407,906 62.583,909 1,910 211.88,911 109.901,912 36.695,914 86.996,916 6.046,917 103.856,918 298.876,919 36.695,921 9.28,922 134.016,923 77.884,924 8.963,925 3.45,926 211.88,928 211.88,929 140.551,930 86.996,931 6.046,933 164.795,934 91.397,935 42.683,937 13.569,938 93.411,939 39.617,941 211.88,942 123.692,943 109.901,945 6.046,946 211.88,947 18.569,948 88.411,950 120.567,951 211.88,952 123.692,953 109.901,955 0.59,956 0.348,957 0.186,958 0.112,959 22,960 9,961 0.063,962 3,963 1,964 1.091,965 3.652,966 234.989,967 0.091,968 22,969 112.211,973 1,974 17.107,975 6.768,976 3.249,977 1.198,978 123.692,979 15.541,980 9.081,984 0.529,986 42.683,987 445.473,988 39.5,991 -3.802,993 26.454,999 45.433,1000 50.365,1001 0.308,1002 0.613,1003 0.724,1004 0.815,1005 0.854,1006 0.871,1007 4.951,1008 1.371,1009 5.855,1010 4.306,1011 4.443,1012 5.043,1013 2.963,1014 6.749,1015 4.306,1016 6.193,1017 1.122,1018 7.473,1019 2.988,1020 4.205,1021 5.112,1022 0.325,1023 8.044,1024 3.873,1025 7.551,1026 1,1027 9.215,1028 2.703,1029 6.151,1030 7.409,1031 5.03,1032 11.163,1033 5.809,1034 8.959,1035 1,1036 11.038,1037 2.275,1038 6.77,1039 8.35,1040 0.268,1041 13.334,1042 6.187,1043 10.41,1044 0.731,1045 12.916,1046 2.136,1047 8.236,1048 10.172,1049 7.185,1050 16.084,1051 7.623,1052 11.894,1053 -0.075,1054 14.832,1055 1.925,1056 9.225,1057 11.482,1058 0.188,1059 18.557,1060 8.375,1061 13.404,1062 -0.442,1063 16.777,1064 -0.174,1065 10.532,1066 13.14,1067 9.348,1068 21.217,1069 9.606,1070 3.568,1071 -0.558,1072 18.743,1073 -1.136,1074 11.678,1075 14.603,1076 0.125,1077 23.795,1078 10.537,1079 2.955,1080 13.995,1081 20.726,1082 -1.493,1083 12.939,1084 16.204,1085 11.511,1086 26.435,1087 11.684,1088 2.685,1089 9.934,1090 22.721,1091 4.917,1092 14.15,1093 17.732,1094 0.082,1095 29.05,1096 12.701,1097 2.308,1098 8.684,1099 24.727,1100 4.301,1101 15.403,1102 19.314,1103 13.675,1104 31.686,1105 13.815,1106 2.07,1107 6.492,1108 26.74,1109 3.365,1110 16.642,1111 20.87,1112 0.054,1113 34.315,1114 14.876,1115 1.646,1116 5.849,1117 28.759,1118 3.004,1119 17.898,1120 22.449,1121 15.838,1122 36.952,1123 15.98,1124 1.568,1125 4.547,1126 30.784,1127 2.477,1128 19.151,1129 24.019,1130 0.035,1131 39.587,1132 17.062,1133 6750,1134 11356,1135 19.474,1136 31.12,1137 44.249,1138 45.473,1139 44.931,1140 44.226,1141 44.049,1142 59.273,1143 7.5,1144 131.67,1145 41.4,1146 6.01,1147 7.359,1148 7.538,1149 5.567,1150 5.568,1151 7.917,1152 5.9,1153 22.39,1154 5.072,1155 10.662,1156 1.526,1157 1.568,1158 1.549,1159 1.525,1160 1.519,1161 2.044,1162 0.259,1163 4.54,1164 1.428,1165 4.162,1166 4.162,1167 4.755,1168 4.142,1169 7.715,1170 4.069,1171 3.942,1172 3.953,1173 3.967,1174 3.882,1175 6.999,1176 3.868,1177 3.815,1178 3.87,1179 3.697,1180 3.666,1181 6.449,1182 3.665,1183 3.626,1184 3.617,1185 3.674,1186 3.572,1187 5.032,1188 3.514,1189 3.265,1190 3.292,1191 3.246,1192 3.097,1193 4.713,1194 3.094,1195 3.111,1196 3.206,1197 2.892,1198 2.941,1199 4.398,1200 2.91,1201 2.999,1202 3.062,1203 2.866,1204 2.805,1205 4.155,1206 2.809,1207 2.92,1208 2.985,1209 2.801,1210 2.735,1211 4.028,1212 2.739,1213 0.173,1214 0.185,1215 0.267,1216 0.153,1217 0.123,1218 5.01,1219 0.17,1220 5.359,1221 0.102,1222 7.736,1223 0.483,1224 4.433,1225 0.106,1226 3.568,1227 4.917,1228 2.95,1229 13.995,1230 3.072,1231 2.045,1232 2.045,1233 2.075,1234 2.146,1235 1.374,1236 2.151,1237 1.913,1238 1.897,1239 1.996,1240 1.984,1241 1.211,1242 2.012,1243 1.793,1244 1.738,1245 1.99,1246 1.967,1247 1.092,1248 1.979,1249 1.528,1250 1.54,1251 1.513,1252 1.632,1253 0.825,1254 1.669,1255 1.153,1256 1.127,1257 1.482,1258 1.376,1259 0.747,1260 1.429,1261 1.147,1262 1.064,1263 1.231,1264 1.368,1265 0.508,1266 1.371,1267 0.939,1268 0.878,1269 1.181,1270 1.194,1271 0.247,1272 1.194,1273 0.9,1274 0.833,1275 1.164,1276 1.098,1277 0.218,1278 1.12,1279 4.078,1281 5.425,1283 6.989,1285 8.648,1287 10.357,1294 9.772,1295 2.26,1299 -0.353,1300 1.905,1305 29.61,1306 76.202,1307 151.545,1308 178.994,1309 201.524,1310 211.133,1311 215.133,1312 53.489,1313 7.435,1314 83.39,1315 91.77,1316 24,1317 12.699,1318 4.322,1319 3.524,1320 37.571,1321 78,1322 92,1323 0.231,1324 183.535,1325 311.88,1326 439.585,1327 15965,1329 18.148,1330 0.698,1331 0.574,1332 18.398,1333 14.932,1334 12.554,1335 0.433,1336 0.346,1337 8.582,1338 11.393,1339 8.313,1340 6.832,1341 13.342,1342 10.038,1343 11.723,1344 0.279,1345 0.196,1346 13.023,1347 8.241,1348 9.994,1349 0.175,1350 0.11,1351 11.308,1352 6.269,1353 8.16,1354 0.109,1355 0.06,1356 9.391,1357 4.522,1358 7.135,1359 0.069,1360 0.034,1361 8.34,1362 3.469,1363 0.345,1364 86.178,1365 0.227,1366 24.347,1367 0.696,1368 142,1369 419.416,1370 194.878,1371 426.608,1372 582.51,1373 394,1374 170,1375 403.477,1376 232.083,1377 443.737,1378 656.91,1379 418,1380 7.102}
{0 CHEMBL2018680,1 1.819,2 9.111,3 3.818,4 14.579,5 107.385,6 9.964,7 0.567,8 3.93,9 4.014,10 3.874,11 3.584,12 4.999,13 3.528,14 4.485,15 4.615,16 4.265,17 3.987,18 5.753,19 3.925,20 4.792,21 4.974,22 4.386,23 4.129,24 5.992,25 4.038,26 4.797,27 4.991,28 4.26,29 4.044,30 6.063,31 3.955,32 4.669,33 4.842,34 4.375,35 4.028,36 5.88,37 3.953,38 4.712,39 4.837,40 4.412,41 4.081,42 6.077,43 4.03,44 4.769,45 4.931,46 4.147,47 4.094,48 5.955,49 3.998,50 4.766,51 4.989,52 4.041,53 4.008,54 5.906,55 3.84,56 0.107,57 0.659,58 6.984,59 4.577,60 21.395,61 4.747,62 0.306,63 1.122,64 13.091,65 7.452,66 51.704,67 8.316,68 0.539,69 1.483,70 35.494,71 11.287,72 66.474,73 12.326,74 0.738,75 1.448,76 36.627,77 11.071,78 86.21,79 11.618,80 0.451,81 1.343,82 36.441,83 10.237,84 64.456,85 9.622,86 0.63,87 1.333,88 28.186,89 9.876,90 90.118,91 8.703,92 0.554,93 1.328,94 22.948,95 10.335,96 88.404,97 11.293,98 0.551,99 1.262,100 29.483,101 11.547,102 92.938,103 14.754,104 17,105 44,106 0.31,107 0.608,108 0.724,109 0.792,110 0.799,111 0.814,112 3.341,113 1.093,114 -4.1,115 -4.04,116 -3.83,117 1,119 42.2,121 2,125 2,127 1,142 8,144 2,146 2,147 2,172 5,174 2,175 4,180 2,183 7,186 4,187 8,195 5,198 4,199 11,202 1,212 12,224 15,227 1,232 4,237 3,240 1,245 14,250 2,253 2,255 1,258 12,268 4,271 3,275 1152,276 17.996,277 17.996,278 17.996,279 17.996,280 17.996,281 15.79,282 16.179,283 10.401,284 18.687,285 14.795,286 14.795,287 14.795,288 14.795,289 14.795,290 11.403,291 19.236,292 4.954,293 16.072,294 3.673,295 1.923,296 1.244,297 0.844,298 0.8,299 0.711,300 4.035,304 1,305 1,306 534,307 3.162,311 285.159,315 118.147,318 1.243,319 40.236,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.25,331 246,332 5.01,333 5.359,334 7.736,335 4.434,336 3.569,337 4.918,338 2.95,339 13.996,340 3.072,341 4.406,342 3.351,343 6.46,344 3.895,345 2.957,346 4.303,347 0.8,348 9.936,349 2.758,350 3.954,351 2.924,352 6.05,353 3.636,354 2.686,355 3.481,357 8.685,358 2.538,359 3.81,360 2.817,361 5.487,362 3.338,363 2.426,364 3.219,366 6.661,367 2.211,368 3.394,369 2.733,370 5.067,371 3.195,372 2.265,373 2.553,375 6.118,376 2.044,377 3.207,378 2.478,379 4.966,380 2.73,381 1.828,382 2.418,384 5.54,385 1.608,386 3.023,387 1.65,388 4.503,389 2.532,390 1.583,391 2.22,393 4.51,394 1.496,395 2.94,396 1.558,397 4.41,398 2.441,399 1.47,400 2.119,402 3.981,403 1.39,404 2.686,405 1.365,406 3.637,407 2.242,408 1.282,409 1.702,411 2.971,412 1.201,413 2.5,414 1.077,415 3.616,416 2,417 1,418 1.5,420 2.275,421 1,422 2.197,423 1.037,424 3.414,425 1.984,426 1,427 1.062,428 2.275,429 0.983,430 2,431 1,432 3.414,433 1.686,434 0.74,435 1,436 1.958,437 0.696,438 1.178,439 0.555,440 2.955,441 0.856,442 -0.071,443 -0.08,445 -0.165,446 -0.064,447 1.119,448 0.214,449 2.704,450 0.573,451 -0.222,452 -0.278,454 -0.491,455 -0.126,456 1,457 0.072,458 2.62,459 0.478,460 -0.448,461 -0.596,463 -1.151,464 -0.407,465 13.867,466 0.514,467 0.81,468 0.03,469 37,470 1.37,471 19.5,472 0.722,473 17.5,474 0.648,475 23.393,476 0.866,477 28.133,478 0.625,479 27.245,480 1.009,481 6.616,482 0.245,483 6.331,484 0.234,485 0.168,486 0.06,487 0.281,493 0.624,494 1.253,495 0.536,496 0.97,497 0.731,498 0.843,499 0.757,500 1.177,501 0.576,502 0.855,503 0.646,504 0.892,505 0.938,506 1.09,507 0.864,508 0.982,509 0.833,510 0.918,511 1.198,512 0.992,513 0.768,514 0.855,515 1.246,516 0.856,517 1.318,518 1.046,519 0.444,520 0.848,521 1.3,522 0.747,523 1.588,524 1.068,525 0.833,526 1.106,527 1.728,528 1.016,529 1.217,530 0.998,531 0.583,532 0.954,533 1.448,534 1.161,535 0.47,536 0.99,537 0.604,538 0.962,539 0.538,540 1.188,541 6.5,542 0.07,543 4.222,544 2.125,545 2.151,546 1.597,547 0.731,548 0.458,549 0.307,550 0.211,551 7848,552 24796,553 2.088,554 40,556 13,559 1,562 4,564 1.71,565 1.94,566 3.133,567 -0.272,569 1,573 81.854,574 1.819,575 3.569,576 4.247,577 4.647,578 4.692,579 4.781,580 2.605,581 4.31,582 4.723,583 3.271,584 1147.99,585 8.254,586 14113.8,588 1,591 247.133,592 1.596,593 4.673,594 0.217,595 0.008,596 0.096,597 0.045,598 0.05,599 0.035,600 0.016,601 0.012,602 0.011,603 0.012,604 0.502,605 0.5,606 1,607 0.584,608 130.129,609 0.027,610 -0.134,611 0.037,612 -0.027,613 -0.144,614 0.031,615 0.075,616 -0.095,617 0.027,618 0.001,619 0.138,620 -0.022,621 0.032,622 -0.037,623 -0.02,624 -0.015,625 0.059,626 0.025,627 -0.001,628 0.068,629 -0.035,630 0.083,631 -0.025,632 0.066,633 -0.212,634 0.094,635 0.077,636 0.129,637 -0.116,638 0.154,639 -0.251,640 0.03,641 -0.083,642 -0.142,643 -0.178,644 -0.166,645 -0.179,646 -0.04,647 -0.063,648 -0.137,649 -0.239,650 -0.255,651 0.241,652 -0.137,653 0.058,654 -0.113,655 0.175,656 -0.158,657 4.756,658 6.323,659 0.815,660 22.074,661 1.015,662 1.116,663 2.866,664 8.212,665 0.722,666 3.434,667 3.807,668 4.094,669 4.357,670 4.682,671 4.804,672 4.927,673 5.05,674 5.153,675 5.112,676 5.479,677 0.681,678 448.37,679 3.434,680 5.004,681 5.872,682 6.774,683 7.668,684 8.579,685 9.483,686 10.399,687 11.31,688 12.229,689 6.7,695 1,699 2,703 2,704 8,705 2,709 4,711 17,726 1,730 1,731 45,733 19,734 2,735 30,736 1,737 48,738 19,739 14,740 4,741 8,746 4,747 5,755 3,758 3,761 14,762 5,766 2,769 1,771 2,778 1,781 18,782 6,783 1,784 8,785 2,790 3,794 0.75,795 3,797 1,802 1,812 4,816 1,838 1,840 3,842 1,843 1,848 27,851 1,853 1,854 4,858 1,859 1,869 1,870 6.7,871 1,873 2,877 13.917,878 7.943,879 5.75,880 2.705,881 3.44,882 1.457,883 0.99,884 4.998,885 10.966,886 3.726,887 4.394,888 4.994,889 5.583,890 6.22,891 6.605,892 7.02,893 7.379,894 7.785,895 7.929,896 1,897 47,898 10.342,900 4.868,901 7.907,902 19.11,904 16.453,905 2.407,906 65,909 1,910 200.109,911 103.48,912 82.649,914 86.996,916 6.046,917 143.388,918 287.105,919 36.695,921 9.28,922 124.539,923 77.884,924 12.018,925 3.45,926 200.109,927 45.954,928 200.109,929 134.13,930 86.996,931 6.046,932 45.954,933 153.024,934 91.397,935 42.683,937 13.569,938 86.99,939 39.617,940 45.954,941 200.109,942 123.692,943 149.434,945 6.046,946 200.109,947 21.624,948 78.934,949 45.954,950 120.567,951 200.109,952 123.692,953 149.434,955 0.596,956 0.347,957 0.179,958 0.11,959 23,960 10,961 0.063,962 3,963 1,964 1.091,965 3.714,966 247.123,967 0.091,968 22,969 118.382,973 1,974 18.516,975 7.288,976 3.63,977 1.183,978 123.692,979 13.734,980 9.1,984 1.285,986 42.683,987 473.235,988 40.5,991 -3.839,993 26.645,999 45.662,1000 50.206,1001 0.331,1002 0.65,1003 0.773,1004 0.846,1005 0.854,1006 0.871,1007 4.985,1008 1.47,1009 5.905,1010 4.51,1011 4.489,1012 5.081,1013 2.963,1014 6.797,1015 4.322,1016 6.237,1017 1.282,1018 7.525,1019 3.981,1020 4.29,1021 5.19,1022 0.325,1023 8.078,1024 3.91,1025 7.6,1026 1,1027 9.264,1028 2.971,1029 6.201,1030 7.451,1031 5.03,1032 11.186,1033 5.825,1034 9.009,1035 1,1036 11.08,1037 2.275,1038 6.825,1039 8.4,1040 0.268,1041 13.344,1042 6.209,1043 10.459,1044 0.74,1045 12.95,1046 2.275,1047 8.275,1048 10.206,1049 7.185,1050 16.09,1051 7.636,1052 11.939,1053 -0.071,1054 14.858,1055 1.958,1056 9.259,1057 11.514,1058 0.188,1059 18.56,1060 8.389,1061 13.444,1062 -0.222,1063 16.797,1064 -0.165,1065 10.558,1066 13.163,1067 9.348,1068 21.219,1069 9.616,1070 3.569,1071 -0.448,1072 18.758,1073 -0.491,1074 11.698,1075 14.623,1076 0.125,1077 23.796,1078 10.546,1079 2.957,1080 13.996,1081 20.736,1082 -1.151,1083 12.955,1084 16.219,1085 11.511,1086 26.436,1087 11.691,1088 2.686,1089 9.936,1090 22.728,1091 4.918,1092 14.162,1093 17.744,1094 0.082,1095 29.05,1096 12.708,1097 2.426,1098 8.685,1099 24.732,1100 4.303,1101 15.413,1102 19.324,1103 13.675,1104 31.687,1105 13.821,1106 2.265,1107 6.661,1108 26.743,1109 3.481,1110 16.651,1111 20.879,1112 0.054,1113 34.316,1114 14.881,1115 1.828,1116 6.118,1117 28.762,1118 3.219,1119 17.905,1120 22.456,1121 15.838,1122 36.953,1123 15.985,1124 1.583,1125 5.54,1126 30.786,1127 2.553,1128 19.157,1129 24.025,1130 0.035,1131 39.587,1132 17.067,1133 7515,1134 13528,1135 19.879,1136 32.472,1137 45.855,1138 47.627,1139 47.164,1140 45.984,1141 45.613,1142 60.992,1143 7.5,1144 137.811,1145 41.992,1146 6.01,1147 7.359,1148 7.42,1149 5.575,1150 5.569,1151 7.918,1152 5.9,1153 22.392,1154 5.072,1155 12.927,1156 1.528,1157 1.588,1158 1.572,1159 1.533,1160 1.52,1161 2.033,1162 0.25,1163 4.594,1164 1.4,1165 4.162,1166 4.161,1167 6.88,1168 4.146,1169 7.715,1170 4.072,1171 3.943,1172 3.951,1173 4.754,1174 3.889,1175 6.999,1176 3.875,1177 3.815,1178 3.87,1179 3.966,1180 3.671,1181 6.449,1182 3.666,1183 3.632,1184 3.614,1185 3.697,1186 3.611,1187 5.032,1188 3.535,1189 3.267,1190 3.29,1191 3.567,1192 3.111,1193 4.707,1194 3.103,1195 3.111,1196 3.206,1197 3.241,1198 2.941,1199 4.398,1200 2.91,1201 2.999,1202 3.061,1203 2.891,1204 2.808,1205 4.156,1206 2.811,1207 2.92,1208 2.984,1209 2.866,1210 2.735,1211 4.029,1212 2.74,1213 0.167,1214 0.179,1215 0.258,1216 0.148,1217 0.119,1218 5.01,1219 0.164,1220 5.359,1221 0.098,1222 7.736,1223 0.467,1224 4.434,1225 0.102,1226 3.569,1227 4.918,1228 2.95,1229 13.996,1230 3.072,1231 2.045,1232 2.046,1233 2.074,1234 2.146,1235 1.374,1236 2.15,1237 1.911,1238 1.898,1239 1.994,1240 1.972,1241 1.215,1242 2,1243 1.793,1244 1.738,1245 1.938,1246 1.962,1247 1.095,1248 1.979,1249 1.524,1250 1.543,1251 1.513,1252 1.619,1253 0.825,1254 1.653,1255 1.153,1256 1.128,1257 1.477,1258 1.376,1259 0.746,1260 1.429,1261 1.145,1262 1.064,1263 1.226,1264 1.359,1265 0.505,1266 1.362,1267 0.938,1268 0.879,1269 1.181,1270 1.189,1271 0.235,1272 1.189,1273 0.9,1274 0.833,1275 1.163,1276 1.096,1277 0.218,1278 1.119,1279 4.111,1281 5.468,1283 7.034,1285 8.692,1287 10.399,1288 3.329,1294 9.793,1295 2.229,1299 -0.36,1300 1.901,1305 30.635,1306 81.854,1307 160.604,1308 191.133,1309 209.133,1310 211.133,1311 215.133,1312 57.552,1313 7.526,1314 83.39,1315 91.77,1316 24,1317 12.74,1318 4.322,1319 3.524,1320 39.761,1321 84,1322 102,1323 0.226,1324 195.449,1325 331.16,1326 468.654,1327 17906,1328 2.2,1329 19.018,1330 0.704,1331 0.623,1332 20.268,1333 16.819,1334 12.948,1335 0.432,1336 0.364,1337 8.73,1338 11.214,1339 8.406,1340 6.881,1341 14.314,1342 10.931,1343 12.344,1344 0.281,1345 0.211,1346 14.461,1347 9.297,1348 10.405,1349 0.176,1350 0.116,1351 12.296,1352 6.868,1353 8.317,1354 0.108,1355 0.062,1356 9.863,1357 4.779,1358 7.302,1359 0.068,1360 0.037,1361 9.015,1362 3.974,1363 0.339,1364 96.912,1365 0.224,1366 25.203,1367 0.673,1368 148,1369 446.071,1370 266.749,1371 488.701,1372 653.86,1373 450,1374 177,1375 427.21,1376 267.347,1377 480.248,1378 710.17,1379 452,1380 7.602}
{0 CHEMBL2018687,1 1.595,2 9.276,3 5.295,4 28.041,5 113.96,6 8.365,7 0.697,8 3.989,9 4.078,10 3.812,11 3.674,12 5.055,13 3.621,14 4.526,15 4.656,16 4.149,17 4.066,18 5.769,19 4.011,20 4.797,21 4.971,22 4.284,23 4.206,24 5.962,25 4.127,26 4.854,27 5.042,28 4.241,29 4.159,30 6.068,31 4.075,32 4.807,33 4.992,34 4.214,35 4.138,36 5.977,37 4.066,38 4.804,39 4.962,40 4.179,41 4.157,42 6.055,43 4.098,44 4.799,45 4.963,46 4.084,47 4.2,48 5.977,49 4.114,50 4.824,51 5.038,52 3.862,53 4.162,54 5.845,55 4.023,56 0.054,57 0.675,58 10.264,59 4.699,60 13.91,61 5.207,62 0.202,63 1.164,64 16.672,65 7.429,66 40.908,67 8.802,68 0.288,69 1.554,70 27.132,71 10.584,72 43.379,73 12.665,74 0.453,75 1.614,76 29.839,77 11.017,78 65.788,79 12.495,80 0.311,81 1.563,82 32.527,83 11.175,84 57.89,85 11.708,86 0.411,87 1.489,88 28.883,89 10.336,90 77.294,91 10.321,92 0.286,93 1.436,94 25.217,95 10.463,96 58.417,97 11.861,98 0.219,99 1.436,100 28.063,101 11.973,102 48.529,103 15.175,104 5,105 48,106 0.264,107 0.512,108 0.636,109 0.775,110 0.843,111 0.864,112 3.41,113 1,114 -4.93,115 -4.84,116 -4.54,119 47.9,121 1,125 2,142 13,143 2,144 1,146 2,147 2,172 14,174 2,175 4,183 14,186 4,187 10,195 8,198 4,199 13,207 1,212 17,224 18,232 4,237 11,245 16,250 5,258 23,263 2,271 21,275 1357,276 19.91,277 19.91,278 19.91,279 19.91,280 19.91,281 16.978,282 14.746,283 11.725,284 20.389,285 16.333,286 16.333,287 16.333,288 16.333,289 16.333,290 11.904,291 17.518,292 5.587,293 17.187,294 3.99,295 2.494,296 1.745,297 0.909,298 0.5,299 0.375,300 4.122,304 1,305 1,306 601,307 3.162,311 341.995,315 222.947,318 1.27,319 33.015,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 61.5,331 269,332 5.01,333 5.359,334 7.736,335 4.434,336 3.568,337 4.917,338 2.95,339 13.996,340 3.08,341 4.409,342 3.386,343 6.481,344 3.956,345 3.004,346 4.302,347 0.916,348 10.036,349 2.879,350 4.232,351 3.122,352 6.173,353 3.831,354 2.856,355 3.819,356 0.172,357 9.172,358 2.747,359 3.874,360 2.77,361 6.008,362 3.485,363 2.531,364 3.349,366 8.482,367 2.399,368 3.553,369 2.642,370 5.425,371 3.061,372 2.098,373 2.991,375 6.226,376 2.011,377 3.157,378 1.922,379 4.583,380 2.621,381 1.657,382 2.469,384 4.635,385 1.612,386 3.019,387 1.811,388 4.499,389 2.614,390 1.618,391 2.21,393 4.481,394 1.592,395 2.927,396 1.661,397 4.392,398 2.575,399 1.618,400 2.093,402 4.239,403 1.546,404 2.892,405 1.494,406 3.773,407 2.41,408 1.416,409 2.05,411 3.02,412 1.406,413 2.749,414 1.45,415 3.624,416 2.315,417 1.337,418 1.839,420 2.968,421 1.3,422 2.619,423 1.241,424 3.598,425 2.1,426 1.117,427 1.624,428 2.691,429 1.096,430 2.5,431 1,432 3.459,433 2,434 1,435 1.5,436 2.136,437 1,438 2.204,439 0.837,440 3.247,441 1.724,442 0.758,443 1.07,445 1.955,446 0.73,447 1.873,448 0.741,449 3.16,450 1.6,451 0.629,452 0.77,454 1.506,455 0.61,456 1.154,457 0.353,458 2.884,459 0.742,460 -0.212,461 -0.268,463 -0.555,464 -0.2,465 14.2,466 0.49,467 0.718,468 0.025,469 44.25,470 1.526,471 25.5,472 0.879,473 18.75,474 0.647,475 20.681,476 0.713,477 29,478 0.604,479 33.913,480 1.169,481 8.489,482 0.293,483 5.637,484 0.194,485 0.047,486 0.059,487 0.275,493 0.477,494 1.173,495 0.782,496 1.077,497 0.627,498 0.856,499 0.723,500 1.114,501 0.805,502 0.949,503 0.608,504 0.916,505 0.755,506 1.167,507 0.961,508 1.099,509 0.708,510 0.981,511 1.244,512 1.131,513 1.075,514 1.013,515 1.253,516 0.969,517 1.581,518 1.086,519 1.332,520 1.091,521 1.41,522 0.863,523 2.071,524 0.974,525 1.317,526 0.967,527 2.059,528 0.91,529 1.432,530 0.959,531 1.12,532 0.998,533 1.446,534 1.071,535 0.788,536 0.903,537 0.988,538 1.023,539 0.814,540 1.121,541 5.5,542 0.037,543 4,544 2.125,545 2.231,546 1.458,547 0.713,548 0.531,549 0.315,550 0.131,551 10111,552 25676,553 2.184,554 39.6,556 17,561 2,564 1.729,565 2.084,566 3.182,567 -0.785,573 76.571,574 1.595,575 3.091,576 3.84,577 4.676,578 5.085,579 5.21,580 2.612,581 4.556,582 4.829,583 3.316,584 1346.19,585 8.464,586 17401.1,591 268.078,592 1.373,593 4.801,594 0.167,595 0.003,596 0.083,597 0.041,598 0.046,599 0.03,600 0.015,601 0.012,602 0.009,603 0.005,604 0.41,605 0.33,606 0.88,607 0.434,608 143.091,609 0.123,610 -0.13,611 0.202,612 -0.051,613 -0.129,614 0.025,615 0.169,616 -0.069,617 0.064,618 -0.03,619 0.181,620 -0.043,621 0.2,622 -0.115,623 0.081,624 -0.097,625 0.137,626 -0.044,627 0.093,628 -0.058,629 0.009,630 -0.019,631 0.034,632 -0.045,633 -0.196,634 0.017,635 -0.073,636 0.006,637 -0.067,638 0.076,639 -0.398,640 0.085,641 -0.234,642 0.032,643 -0.262,644 -0.026,645 -0.259,646 0.014,647 -0.237,648 -0.071,649 -0.171,650 -0.152,651 -0.061,652 -0.009,653 -0.113,654 -0.072,655 -0.028,656 -0.095,657 4.72,658 6.457,659 0.897,660 23.924,661 1.002,662 1.107,663 3.701,664 13.694,665 0.722,666 3.526,667 3.892,668 4.22,669 4.511,670 4.828,671 4.934,672 5.142,673 5.303,674 5.468,675 5.476,676 5.69,677 0.685,678 401.52,679 3.526,680 5.094,681 5.974,682 6.878,683 7.779,684 8.692,685 9.602,686 10.519,687 11.434,688 12.354,689 6.3,695 1,699 2,703 2,704 13,705 2,709 5,711 23,726 1,731 48,733 25,734 3,735 33,737 52,738 23,739 20,740 5,741 13,746 5,747 7,755 1,758 1,761 20,762 3,766 2,769 1,771 2,781 19,782 5,784 6,785 1,790 3,794 0.6,795 2,802 1,812 5,816 2,840 3,842 1,848 29,851 1,854 3,859 1,870 4.2,873 2,877 13.917,878 8.683,879 6.194,880 2.887,881 4.545,882 1.563,883 1.061,884 4.39,885 12.62,886 3.861,887 4.538,888 5.163,889 5.759,890 6.378,891 6.689,892 7.167,893 7.569,894 8.027,895 8.261,896 1,897 52,898 11.051,900 5.166,901 7.744,902 20.726,904 17.917,905 2.244,906 65.083,910 223.651,911 151.643,912 36.695,914 44.313,916 6.046,917 145.597,918 267.964,919 36.695,921 6.746,922 129.237,923 77.884,924 15.334,925 3.45,926 223.651,928 223.651,929 182.293,930 44.313,931 6.046,933 200.109,934 67.855,937 11.034,938 137.687,939 39.617,941 223.651,942 81.008,943 151.643,945 6.046,946 223.651,947 22.406,948 126.316,950 77.884,951 223.651,952 81.008,953 151.643,955 0.589,956 0.354,957 0.195,958 0.113,959 26,960 10,961 0.058,962 3,963 2,964 1.154,965 3.951,966 281.112,967 0.154,968 26,969 134.881,973 1,974 17.995,975 7.075,976 3.209,977 1.261,978 81.008,979 24.078,980 9.31,984 3.147,987 456.302,988 46.5,991 -3.803,993 26.915,999 48.105,1000 53.155,1001 0.286,1002 0.553,1003 0.688,1004 0.837,1005 0.91,1006 0.933,1007 5.104,1008 1.618,1009 5.989,1010 4.481,1011 4.575,1012 5.226,1013 2.991,1014 6.884,1015 4.465,1016 6.352,1017 1.416,1018 7.603,1019 4.239,1020 4.29,1021 5.231,1022 0.325,1023 8.143,1024 4.013,1025 7.708,1026 1.337,1027 9.341,1028 3.02,1029 6.279,1030 7.585,1031 5.033,1032 11.27,1033 5.999,1034 9.111,1035 1.117,1036 11.157,1037 2.968,1038 6.868,1039 8.462,1040 0.393,1041 13.406,1042 6.378,1043 10.556,1044 1,1045 13.026,1046 2.691,1047 8.352,1048 10.31,1049 7.185,1050 16.147,1051 7.841,1052 12.032,1053 0.758,1054 14.933,1055 2.136,1056 9.321,1057 11.572,1058 0.384,1059 18.598,1060 8.601,1061 13.532,1062 0.629,1063 16.867,1064 1.955,1065 10.631,1066 13.236,1067 9.348,1068 21.25,1069 9.847,1070 3.568,1071 -0.212,1072 18.823,1073 1.506,1074 11.762,1075 14.669,1076 0.351,1077 23.816,1078 10.784,1079 3.004,1080 13.996,1081 20.795,1082 -0.555,1083 13.018,1084 16.267,1085 11.511,1086 26.451,1087 11.938,1088 2.856,1089 10.036,1090 22.781,1091 4.917,1092 14.218,1093 17.777,1094 0.312,1095 29.061,1096 12.959,1097 2.531,1098 9.172,1099 24.777,1100 4.302,1101 15.465,1102 19.354,1103 13.675,1104 31.694,1105 14.075,1106 2.098,1107 8.482,1108 26.782,1109 3.819,1110 16.696,1111 20.9,1112 0.273,1113 34.321,1114 15.135,1115 1.657,1116 6.226,1117 28.795,1118 3.349,1119 17.945,1120 22.474,1121 15.838,1122 36.956,1123 16.239,1124 1.618,1125 4.635,1126 30.813,1127 2.991,1128 19.192,1129 24.038,1130 0.236,1131 39.59,1132 17.319,1133 9323,1134 15054,1135 22.652,1136 34.665,1137 50.582,1138 51.888,1139 50.862,1140 50.554,1141 50.413,1142 70.007,1143 8.078,1144 151.084,1145 48.012,1146 5.954,1147 7.359,1148 7.538,1149 5.568,1150 5.568,1151 7.917,1152 5.9,1153 22.394,1154 5.08,1155 9.035,1156 1.533,1157 1.572,1158 1.541,1159 1.532,1160 1.528,1161 2.121,1162 0.245,1163 4.578,1164 1.455,1165 4.167,1166 4.169,1167 4.755,1168 4.145,1169 7.715,1170 4.075,1171 3.974,1172 3.996,1173 3.983,1174 3.92,1175 6.999,1176 3.903,1177 3.931,1178 3.949,1179 3.887,1180 3.871,1181 5.035,1182 3.862,1183 3.641,1184 3.649,1185 3.675,1186 3.587,1187 4.74,1188 3.538,1189 3.473,1190 3.512,1191 3.412,1192 3.326,1193 4.711,1194 3.312,1195 3.202,1196 3.248,1197 3.126,1198 3.062,1199 4.377,1200 3.052,1201 3.072,1202 3.138,1203 2.92,1204 2.936,1205 4.122,1206 2.922,1207 2.933,1208 2.996,1209 2.836,1210 2.796,1211 3.985,1212 2.794,1213 0.152,1214 0.162,1215 0.234,1216 0.134,1217 0.108,1218 5.01,1219 0.149,1220 5.359,1221 0.089,1222 7.736,1223 0.424,1224 4.434,1225 0.093,1226 3.568,1227 4.917,1228 2.95,1229 13.996,1230 3.08,1231 2.051,1232 2.048,1233 2.109,1234 2.152,1235 1.353,1236 2.157,1237 1.961,1238 1.937,1239 2.047,1240 2.044,1241 1.212,1242 2.061,1243 1.911,1244 1.893,1245 1.991,1246 1.98,1247 1.093,1248 2.005,1249 1.57,1250 1.565,1251 1.706,1252 1.698,1253 0.876,1254 1.718,1255 1.421,1256 1.382,1257 1.481,1258 1.569,1259 0.752,1260 1.612,1261 1.156,1262 1.111,1263 1.365,1264 1.346,1265 0.636,1266 1.381,1267 1.059,1268 1.009,1269 1.181,1270 1.239,1271 0.288,1272 1.254,1273 0.921,1274 0.864,1275 1.169,1276 1.101,1277 0.218,1278 1.123,1279 4.205,1281 5.557,1283 7.13,1285 8.799,1287 10.516,1295 2.15,1300 2.025,1305 32.895,1306 76.571,1307 148.357,1308 184.321,1309 224.427,1310 244.078,1311 250.078,1312 48.575,1313 8.075,1314 63.16,1315 71.54,1316 30,1317 12.864,1318 4.7,1319 3.858,1320 39.178,1321 95,1322 104,1323 0.196,1324 201.732,1325 341.11,1326 483.987,1327 37205,1329 19.847,1330 0.684,1331 0.569,1332 20.097,1333 16.51,1334 14.126,1335 0.428,1336 0.333,1337 9.559,1338 13.041,1339 9.233,1340 7.616,1341 14.915,1342 10.998,1343 13.08,1344 0.273,1345 0.187,1346 14.381,1347 8.963,1348 11.514,1349 0.172,1350 0.104,1351 12.828,1352 6.935,1353 9.744,1354 0.108,1355 0.057,1356 10.975,1357 5.121,1358 8.526,1359 0.069,1360 0.031,1361 9.727,1362 3.893,1363 0.295,1364 95.035,1365 0.21,1366 26.773,1367 0.581,1368 162,1369 441.267,1370 212.775,1371 456.617,1372 635.91,1373 424,1374 196,1375 453.204,1376 256.588,1377 498.861,1378 738.24,1379 470,1380 4.301}
{0 CHEMBL2018692,1 1.667,2 7.792,3 4.098,4 16.795,5 93.578,6 8.279,7 0.63,8 3.832,9 3.925,10 3.665,11 3.486,12 4.866,13 3.429,14 4.388,15 4.531,16 3.99,17 3.87,18 5.637,19 3.811,20 4.646,21 4.848,22 4.085,23 3.96,24 5.816,25 3.872,26 4.594,27 4.785,28 4.08,29 3.872,30 5.898,31 3.812,32 4.502,33 4.636,34 4.062,35 3.901,36 5.797,37 3.853,38 4.618,39 4.759,40 3.92,41 3.944,42 5.908,43 3.888,44 4.627,45 4.812,46 3.592,47 3.922,48 5.737,49 3.804,50 4.563,51 4.83,52 3.111,53 3.763,54 5.323,55 3.543,56 0.059,57 0.618,58 9.555,59 4.213,60 13.58,61 4.658,62 0.221,63 1.052,64 15.756,65 6.622,66 41.503,67 7.95,68 0.345,69 1.34,70 26.313,71 9.167,72 45.17,73 11.162,74 0.471,75 1.235,76 25.342,77 8.374,78 62.795,79 9.323,80 0.282,81 1.176,82 24.193,83 7.91,84 49.086,85 7.479,86 0.42,87 1.22,88 25.538,89 8.62,90 75.352,91 8.443,92 0.348,93 1.156,94 21.291,95 8.828,96 65.835,97 10.64,98 0.17,99 1.066,100 21.864,101 9.469,102 33.147,103 13.266,104 5,105 39,106 0.289,107 0.544,108 0.641,109 0.736,110 0.777,111 0.794,112 3.231,113 1.051,114 -4.03,115 -3.98,116 -3.77,119 43.9,121 2,125 2,142 9,144 1,146 2,147 2,172 8,174 2,175 4,183 6,186 4,187 8,195 3,198 4,199 11,212 14,224 14,232 4,237 4,245 14,258 13,271 6,275 804,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.213,282 12.378,283 9.729,284 16.881,285 13.362,286 13.362,287 13.362,288 13.362,289 13.362,290 10.032,291 13.987,292 4.629,293 14.228,294 3.69,295 2.221,296 1.662,297 1.112,298 0.878,299 0.78,300 3.926,303 1,304 1,305 1,306 412,307 3,310 48.658,311 185.834,315 100.044,318 1.076,319 30.767,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 187,332 5.01,333 5.359,334 7.736,335 4.433,336 3.568,337 4.917,338 2.95,339 13.995,340 3.072,341 4.404,342 3.346,343 6.459,344 3.89,345 2.953,346 4.301,347 0.8,348 9.933,349 2.756,350 3.93,351 2.837,352 6.049,353 3.608,354 2.662,355 3.366,357 8.678,358 2.506,359 3.571,360 2.764,361 5.454,362 3.107,363 2.143,364 3.003,366 6.316,367 2.056,368 3.166,369 1.865,370 4.61,371 2.761,372 1.789,373 2.47,375 4.725,376 1.734,377 3.08,378 1.727,379 4.499,380 2.591,381 1.639,382 2.229,384 4.479,385 1.557,386 2.874,387 1.492,388 3.82,389 2.398,390 1.407,391 2.02,393 3.004,394 1.393,395 2.678,396 1.397,397 3.623,398 2.187,399 1.21,400 1.727,402 2.821,403 1.175,404 2.5,405 1,406 3.49,407 2,408 1,409 1.5,411 2.348,412 1,413 2.308,414 0.996,415 3.247,416 1.914,417 0.942,418 1.22,420 2.136,421 0.913,422 1.917,423 0.744,424 3.216,425 1.591,426 0.643,427 0.821,428 1.625,429 0.608,430 1.618,431 0.733,432 3,433 1.591,434 0.618,435 0.618,436 1.372,437 0.6,438 1.078,439 0.347,440 2.868,441 0.587,442 -0.344,443 -0.462,445 -0.912,446 -0.316,447 1,448 -0.125,449 2.632,450 0.435,451 -0.518,452 -0.748,454 -1.438,455 -0.489,456 0.954,457 -0.416,458 2.506,459 0.229,460 -0.731,461 -1.041,463 -1.648,464 -0.682,465 11.7,466 0.488,467 0.598,468 0.025,469 35.25,470 1.469,471 19.5,472 0.813,473 15.75,474 0.656,475 16.683,476 0.695,477 24.9,478 0.607,479 25.304,480 1.054,481 6.534,482 0.272,483 5.126,484 0.214,485 0.057,486 0.071,487 0.248,493 0.482,494 1.285,495 0.801,496 1.159,497 0.618,498 0.911,499 0.717,500 1.178,501 0.798,502 0.977,503 0.581,504 0.943,505 0.769,506 1.086,507 0.928,508 1.035,509 0.688,510 0.901,511 1.323,512 0.994,513 0.99,514 0.855,515 1.385,516 0.732,517 1.86,518 1.17,519 1.575,520 1.243,521 1.705,522 0.92,523 2.149,524 1.025,525 1.565,526 1.165,527 2.176,528 1.077,529 1.426,530 0.937,531 1.102,532 0.989,533 1.542,534 1.249,535 0.333,536 0.944,537 0.808,538 1.02,539 0.358,540 1.278,541 4.5,543 3.333,544 1.84,545 1.756,546 1.253,547 0.544,548 0.196,549 0.075,550 0.029,551 5734,552 14650,553 2.15,554 41.5,556 13,561 4,564 1.68,565 2.043,566 2.936,567 -0.74,569 1,573 68.359,574 1.667,575 3.137,576 3.696,577 4.245,578 4.48,579 4.577,580 2.365,581 3.97,582 4.557,583 3.06,584 844.489,585 7.921,586 9552.43,588 1,590 1,591 219.66,592 1.414,593 4.523,594 0.167,596 0.085,597 0.046,598 0.044,599 0.031,600 0.014,601 0.007,602 0.005,603 0.005,604 0.403,605 0.5,606 1,607 0.49,608 110.176,609 0.12,610 -0.175,611 0.22,612 -0.067,613 -0.118,614 0.016,615 0.167,616 -0.106,617 0.086,618 -0.035,619 0.204,620 -0.042,621 0.198,622 -0.035,623 0.16,624 -0.012,625 0.166,626 0.06,627 0.109,628 0.084,629 0.162,630 0.169,631 0.048,632 0.183,633 -0.344,634 -0.002,635 -0.252,636 -0.087,637 -0.153,638 -0.043,639 -0.494,640 0.028,641 -0.485,642 -0.148,643 -0.323,644 -0.207,645 -0.326,646 -0.036,647 -0.378,648 -0.145,649 -0.28,650 -0.311,651 0.057,652 -0.129,653 -0.081,654 -0.152,655 -0.004,656 -0.206,657 4.63,658 6.126,659 0.875,660 16.542,661 1.005,662 1.116,663 2.798,664 7.827,665 0.705,666 3.332,667 3.689,668 4.007,669 4.29,670 4.543,671 4.663,672 4.82,673 4.883,674 4.92,675 4.804,676 4.875,677 0.668,678 339.45,679 3.332,680 4.89,681 5.765,682 6.668,683 7.568,684 8.481,685 9.39,686 10.308,687 11.223,688 12.143,689 7.3,695 1,699 2,703 2,704 9,705 2,709 3,711 17,726 1,731 41,733 19,734 2,735 27,737 44,738 18,739 14,740 3,741 9,746 4,747 5,755 2,758 2,761 14,762 4,766 2,769 1,771 2,778 1,781 17,782 5,784 6,785 1,790 3,794 0.75,795 2,802 1,808 1,811 1,812 3,816 1,840 3,842 1,848 24,851 1,854 4,859 1,870 4.9,873 2,877 11.75,878 7.35,879 5.167,880 2.575,881 3.396,882 1.47,883 1.039,884 3.796,885 10.623,886 3.651,887 4.317,888 4.942,889 5.546,890 6.165,891 6.522,892 6.985,893 7.322,894 7.706,895 7.792,896 1,897 40,898 9.184,900 4.308,901 7.802,902 17.165,904 14.79,905 2.302,906 55.25,909 1,910 200.109,911 109.901,912 36.695,914 44.313,916 6.046,917 103.856,918 244.422,919 36.695,921 9.28,922 91.332,923 77.884,924 8.963,925 3.45,926 200.109,928 200.109,929 140.551,930 44.313,931 6.046,933 153.024,934 91.397,937 13.569,938 93.411,939 39.617,941 200.109,942 81.008,943 109.901,945 6.046,946 200.109,947 18.569,948 88.411,950 77.884,951 200.109,952 81.008,953 109.901,955 0.586,956 0.352,957 0.195,958 0.107,959 21,960 8,961 0.068,962 3,963 1,964 1.095,965 3.514,966 211.698,967 0.095,968 21,969 100.039,973 1,974 15.254,975 5.973,976 2.72,977 1.307,978 81.008,979 15.808,980 9.109,984 0.763,987 391.019,988 37.5,991 -3.714,993 26.252,999 41.222,1000 45.74,1001 0.311,1002 0.585,1003 0.69,1004 0.792,1005 0.836,1006 0.854,1007 4.892,1008 1.21,1009 5.784,1010 3.004,1011 4.369,1012 5.004,1013 2.963,1014 6.688,1015 4.234,1016 6.139,1017 1,1018 7.405,1019 2.821,1020 4.111,1021 5.075,1022 0.325,1023 8.009,1024 3.768,1025 7.502,1026 0.942,1027 9.156,1028 2.348,1029 6.084,1030 7.39,1031 5.03,1032 11.139,1033 5.734,1034 8.918,1035 0.643,1036 10.99,1037 2.136,1038 6.723,1039 8.34,1040 0.268,1041 13.326,1042 6.126,1043 10.377,1044 0.618,1045 12.879,1046 1.625,1047 8.191,1048 10.166,1049 7.185,1050 16.077,1051 7.56,1052 11.869,1053 -0.344,1054 14.805,1055 1.372,1056 9.199,1057 11.48,1058 0.188,1059 18.555,1060 8.333,1061 13.384,1062 -0.518,1063 16.757,1064 -0.912,1065 10.506,1066 13.138,1067 9.348,1068 21.216,1069 9.56,1070 3.568,1071 -0.731,1072 18.729,1073 -1.438,1074 11.662,1075 14.603,1076 0.125,1077 23.794,1078 10.507,1079 2.953,1080 13.995,1081 20.716,1082 -1.648,1083 12.924,1084 16.203,1085 11.511,1086 26.435,1087 11.652,1088 2.662,1089 9.933,1090 22.714,1091 4.917,1092 14.141,1093 17.732,1094 0.082,1095 29.05,1096 12.679,1097 2.143,1098 8.678,1099 24.722,1100 4.301,1101 15.395,1102 19.314,1103 13.675,1104 31.686,1105 13.794,1106 1.789,1107 6.316,1108 26.736,1109 3.366,1110 16.637,1111 20.87,1112 0.054,1113 34.315,1114 14.86,1115 1.639,1116 4.725,1117 28.757,1118 3.003,1119 17.894,1120 22.449,1121 15.838,1122 36.952,1123 15.965,1124 1.407,1125 4.479,1126 30.782,1127 2.47,1128 19.148,1129 24.019,1130 0.035,1131 39.587,1132 17.051,1133 5425,1134 8853,1135 18.375,1136 28.904,1137 40.777,1138 42.375,1139 41.076,1140 41.301,1141 41.147,1142 56.386,1143 7.5,1144 122.862,1145 38.739,1146 5.92,1147 7.359,1148 7.538,1149 5.57,1150 5.568,1151 7.917,1152 5.9,1153 22.39,1154 5.072,1155 7.819,1156 1.51,1157 1.569,1158 1.521,1159 1.53,1160 1.524,1161 2.088,1162 0.278,1163 4.55,1164 1.435,1165 4.162,1166 4.162,1167 4.755,1168 4.143,1169 7.715,1170 4.069,1171 3.942,1172 3.953,1173 3.967,1174 3.883,1175 6.999,1176 3.868,1177 3.798,1178 3.862,1179 3.681,1180 3.656,1181 5.033,1182 3.651,1183 3.62,1184 3.609,1185 3.666,1186 3.565,1187 4.713,1188 3.504,1189 3.214,1190 3.243,1191 3.188,1192 3.066,1193 4.417,1194 3.06,1195 2.938,1196 3.002,1197 2.846,1198 2.797,1199 4.198,1200 2.796,1201 2.869,1202 2.979,1203 2.687,1204 2.735,1205 4.054,1206 2.715,1207 2.854,1208 2.925,1209 2.596,1210 2.671,1211 3.674,1212 2.635,1213 0.186,1214 0.198,1215 0.287,1216 0.164,1217 0.132,1218 5.01,1219 0.182,1220 5.359,1221 0.109,1222 7.736,1223 0.518,1224 4.433,1225 0.114,1226 3.568,1227 4.917,1228 2.95,1229 13.995,1230 3.072,1231 2.041,1232 2.043,1233 2.062,1234 2.135,1235 1.232,1236 2.142,1237 1.913,1238 1.896,1239 1.991,1240 1.981,1241 1.211,1242 2.007,1243 1.583,1244 1.573,1245 1.86,1246 1.751,1247 1.097,1248 1.793,1249 1.577,1250 1.507,1251 1.704,1252 1.737,1253 0.977,1254 1.747,1255 1.37,1256 1.332,1257 1.386,1258 1.547,1259 0.695,1260 1.59,1261 1.06,1262 1.02,1263 1.181,1264 1.245,1265 0.263,1266 1.254,1267 0.92,1268 0.862,1269 1.168,1270 1.1,1271 0.218,1272 1.122,1273 0.886,1274 0.821,1275 1.097,1276 1.062,1277 0.206,1278 1.107,1279 4.007,1281 5.352,1282 2.398,1283 6.911,1284 4.443,1285 8.568,1286 6.293,1287 10.279,1295 3.702,1300 2.023,1305 27.369,1306 68.359,1307 128.601,1308 151.521,1309 174.05,1310 183.66,1311 187.66,1312 41.503,1313 7.227,1314 63.16,1315 71.54,1316 23,1317 12.653,1318 4.322,1319 3.524,1320 33.428,1321 67,1322 72,1323 0.241,1324 169.946,1325 285.79,1326 406.429,1327 12096,1329 16.571,1330 0.69,1331 0.579,1332 16.821,1333 13.907,1334 11.66,1335 0.432,1336 0.35,1337 8.025,1338 10.571,1339 7.756,1340 6.404,1341 12.449,1342 9.463,1343 10.747,1344 0.276,1345 0.198,1346 12.047,1347 7.717,1348 9.333,1349 0.173,1350 0.109,1351 10.648,1352 5.911,1353 7.831,1354 0.109,1355 0.061,1356 9.062,1357 4.373,1358 6.293,1359 0.068,1360 0.032,1361 7.498,1362 2.991,1363 0.357,1364 80.237,1365 0.233,1366 22.644,1367 0.734,1368 132,1369 377.267,1370 182.775,1371 389.234,1372 538.23,1373 360,1374 159,1375 378.204,1376 219.422,1377 419.366,1378 621.96,1379 395,1380 4.661}
{0 CHEMBL2021398,1 1.838,2 13.743,3 4.169,4 17.376,5 127.839,6 9.75,7 0.718,8 4.057,9 4.136,10 3.964,11 3.719,12 5.347,13 3.713,14 4.537,15 4.635,16 4.285,17 4.105,18 6.015,19 4.095,20 4.79,21 4.927,22 4.401,23 4.227,24 6.15,25 4.197,26 4.858,27 5.017,28 4.375,29 4.174,30 6.491,31 4.15,32 4.8,33 4.978,34 4.233,35 4.104,36 6.142,37 4.078,38 4.683,39 4.843,40 4.224,41 4.072,42 6.208,43 4.047,44 4.692,45 4.873,46 4.117,47 4.02,48 6.056,49 3.982,50 4.598,51 4.783,52 4.028,53 3.911,54 5.993,55 3.878,56 0.177,57 0.887,58 6.948,59 4.298,60 28.999,61 3.684,62 0.45,63 1.401,64 10.269,65 6.869,66 65.443,67 6.352,68 0.587,69 1.837,70 18.381,71 10.052,72 96.215,73 9.216,74 1.102,75 2.003,76 25.653,77 10.78,78 186.317,79 9.949,80 0.83,81 1.647,82 22.317,83 9.538,84 139.355,85 9.137,86 0.711,87 1.567,88 16.759,89 8.376,90 113.205,91 8.792,92 0.658,93 1.604,94 20.292,95 8.771,96 94.495,97 8.767,98 0.602,99 1.377,100 17.056,101 7.835,102 96.888,103 8.367,104 27,105 57,106 0.298,107 0.593,108 0.781,109 0.902,110 0.908,111 0.908,112 3.589,113 0.902,114 -4.09,115 -4.03,116 -3.82,119 50,142 9,143 6,144 4,145 3,151 1,158 1,161 1,172 13,174 1,175 4,178 3,180 3,183 14,187 9,190 1,192 4,195 12,199 11,204 6,207 8,211 3,212 7,217 4,220 8,224 7,227 1,229 3,232 9,237 7,240 2,242 1,245 8,249 3,250 5,254 1,255 1,258 6,263 6,268 2,271 4,275 2228,276 23.513,277 23.513,278 23.513,279 23.513,280 23.513,281 19.879,282 11.695,283 13.52,284 23.966,285 19.201,286 19.201,287 19.201,288 19.201,289 19.201,290 13.58,291 7.805,292 6.343,293 20.01,294 3.806,295 1.988,296 0.826,297 0.08,298 0.04,299 0.04,300 4.292,305 1,306 1052,307 3.674,310 82.595,311 435.964,314 144.421,318 2.065,319 57.676,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 77.5,331 481,332 4.891,333 4.715,334 7.401,335 4.356,336 3.439,337 4.748,338 2.035,339 12.883,340 3.148,341 4.626,342 4.058,343 6.73,344 4.175,345 3.19,346 4.568,348 10.992,349 3.12,350 4.225,351 3.188,352 6.164,353 3.837,354 2.847,355 3.854,357 9.164,358 2.818,359 4.081,360 3.012,361 5.78,362 3.59,363 2.612,364 3.696,366 7.953,367 2.559,368 3.982,369 2.862,370 5.699,371 3.499,372 2.541,373 3.578,375 7.606,376 2.417,377 3.705,378 2.61,379 5.258,380 3.223,381 2.254,382 3.093,384 6.59,385 2.178,386 3.572,387 2.559,388 5.228,389 3.092,390 2.123,391 2.903,393 6.433,394 2.052,395 3.287,396 2.359,397 4.861,398 2.81,399 1.888,400 2.556,402 5.321,403 1.716,404 3.161,405 2.139,406 4.549,407 2.485,408 1.519,409 2.271,411 4.376,412 1.465,413 2.95,414 1.586,415 4.334,416 2.444,417 1.483,418 2.144,420 4.016,421 1.421,422 2.84,423 1.519,424 4.097,425 2.247,426 1.272,427 1.849,428 3.313,429 1.231,430 2.742,431 1.414,432 3.94,433 2.212,434 1.232,435 1.824,436 3.003,437 1.205,438 2.66,439 1.239,440 3.491,441 2.085,442 1.139,443 1.69,445 2.563,446 1.074,447 2.608,448 1.143,449 3.481,450 1.97,451 1,452 1.5,454 2.471,455 0.967,456 2.5,457 1,458 3.24,459 1.481,460 0.538,461 0.885,463 1.365,464 0.506,465 16.571,466 0.473,467 1.008,468 0.029,469 55,470 1.571,471 32.5,472 0.929,473 22.5,474 0.643,475 23.721,476 0.678,477 35.029,478 0.701,479 46.476,480 1.328,481 10.814,482 0.309,483 6.021,484 0.172,485 0.099,486 0.05,487 0.332,491 2,493 0.533,494 0.941,495 0.706,496 1.034,497 0.569,498 0.762,499 0.614,500 0.906,501 0.82,502 0.929,503 0.556,504 0.888,505 0.96,506 1.099,507 1.025,508 1.145,509 0.938,510 1.098,511 0.866,512 0.931,513 1.186,514 1.132,515 0.832,516 1.058,517 0.979,518 0.749,519 0.919,520 0.798,521 1.027,522 0.921,523 0.551,524 0.888,525 0.814,526 0.957,527 0.503,528 1.006,529 0.885,530 0.891,531 1.087,532 1.02,533 0.859,534 1.068,535 0.799,536 0.822,537 0.822,538 0.83,539 0.848,540 0.955,541 8.5,542 0.288,543 4.667,544 3.069,545 1.956,546 1.431,547 0.814,548 0.581,549 0.411,550 0.306,551 18798,552 67469,553 2.099,554 30,556 9,557 1,558 3,559 2,564 1.767,565 1.953,566 3.727,567 0.219,569 1,573 91.883,574 1.838,575 3.656,576 4.818,577 5.564,578 5.604,579 5.604,580 3.204,581 4.879,582 5.102,583 3.884,584 2311.07,585 8.953,586 35982.9,591 282.193,592 1.566,593 5.051,594 0.218,595 0.008,596 0.082,597 0.052,598 0.034,599 0.028,600 0.016,601 0.013,602 0.01,603 0.008,604 0.469,605 0.33,606 0.75,607 0.694,608 189.622,609 0.012,610 -0.052,611 0.149,612 -0.054,613 -0.077,614 0.044,615 0.089,616 -0.012,617 -0.053,618 -0.026,619 0.099,620 -0.069,621 -0.096,622 -0.146,623 -0.06,624 -0.143,625 -0.105,626 -0.157,627 0.157,628 0.044,629 -0.091,630 -0.087,631 0.194,632 -0.073,633 -0.108,634 0.044,635 0.011,636 0.121,637 -0.149,638 0.08,639 0.205,640 -0.022,641 0.055,642 -0.048,643 0.213,644 -0.04,645 -0.06,646 0.014,647 -0.105,648 -0.058,649 -0.066,650 -0.062,651 0.011,652 -0.007,653 0.09,654 0.081,655 -0.025,656 0.073,657 5.23,658 6.032,659 0.771,660 37.799,661 1.031,662 1.12,663 2.857,664 8.16,665 0.741,666 3.689,667 4.06,668 4.344,669 4.635,670 4.844,671 4.977,672 5.1,673 5.263,674 5.366,675 5.517,676 7.858,677 0.733,678 487.52,679 3.689,680 5.263,681 6.129,682 7.033,683 7.913,684 8.821,685 9.707,686 10.617,687 11.506,688 12.417,689 10,694 1,697 1,698 1,699 2,703 2,704 13,705 2,706 1,709 9,711 28,713 1,730 2,731 50,733 31,734 2,735 39,737 54,738 25,739 24,740 5,741 7,746 5,747 6,760 1,761 24,766 2,769 1,771 2,779 2,781 15,782 8,783 2,784 10,785 1,790 5,794 0.8,795 2,805 2,807 1,811 1,812 4,815 1,840 4,842 1,846 2,848 35,852 1,855 1,861 1,866 1,868 1,869 2,870 4,873 2,877 17.917,878 9.219,879 7.514,880 2.76,881 5.508,882 1.642,883 1.058,884 5.685,885 14.086,886 4.06,887 4.743,888 5.363,889 5.998,890 6.557,891 6.952,892 7.428,893 7.904,894 8.311,895 8.791,896 1,897 59,898 13.377,900 6.403,901 8.207,902 23.681,904 19.918,905 2.707,906 94.75,910 153.024,911 186.651,912 97.821,914 44.313,915 29.92,916 5.807,917 180.843,918 197.337,919 127.741,922 100.141,923 147.919,924 116.038,925 41.691,926 105.94,928 153.024,929 278.664,930 74.233,931 5.807,933 182.945,934 44.313,937 76.702,938 151.986,939 55.783,941 182.945,942 142.134,943 186.651,945 5.807,946 153.024,947 42.766,948 121.476,949 49.792,950 138.864,951 153.024,952 172.054,953 186.651,955 0.593,956 0.349,957 0.19,958 0.099,959 29,960 13,961 0.093,962 5,963 1,964 1.074,965 4.487,966 343.737,967 0.074,968 27,969 177.525,973 1,974 22.528,975 8.832,976 4.447,977 1.444,978 155.269,979 19.079,980 8.54,981 3.109,984 0.8,986 33.191,987 511.729,988 57,991 -4.313,993 25.269,999 51.567,1000 56.001,1001 0.326,1002 0.648,1003 0.854,1004 0.986,1005 0.993,1006 0.993,1007 5.313,1008 1.888,1009 6.155,1010 6.433,1011 4.745,1012 5.432,1013 2.228,1014 7.026,1015 4.664,1016 6.583,1017 1.519,1018 7.756,1019 5.321,1020 4.511,1021 5.46,1023 8.184,1024 4.363,1025 7.939,1026 1.483,1027 9.465,1028 4.376,1029 6.435,1030 7.792,1031 3.563,1032 11.256,1033 6.269,1034 9.335,1035 1.272,1036 11.24,1037 4.016,1038 7.004,1039 8.637,1041 13.254,1042 6.757,1043 10.764,1044 1.232,1045 13.061,1046 3.313,1047 8.445,1048 10.468,1049 4.962,1050 15.921,1051 8.175,1052 12.218,1053 1.139,1054 14.914,1055 3.003,1056 9.368,1057 11.682,1059 18.247,1060 9.011,1061 13.692,1062 1,1063 16.793,1064 2.563,1065 10.639,1066 13.325,1067 6.378,1068 20.806,1069 10.244,1070 3.439,1071 0.538,1072 18.691,1073 2.471,1074 11.719,1075 14.711,1077 23.259,1078 11.239,1079 3.19,1080 12.883,1081 20.605,1082 1.365,1083 12.935,1084 16.282,1085 7.797,1086 25.794,1087 12.402,1088 2.847,1089 10.992,1090 22.533,1091 4.748,1092 14.085,1093 17.748,1095 28.298,1096 13.469,1097 2.612,1098 9.164,1099 24.471,1100 4.568,1101 15.288,1102 19.294,1103 9.217,1104 30.832,1105 14.607,1106 2.541,1107 7.953,1108 26.418,1109 3.854,1110 16.47,1111 20.798,1113 33.358,1114 15.709,1115 2.254,1116 7.606,1117 28.373,1118 3.696,1119 17.673,1120 22.337,1121 10.638,1122 35.896,1123 16.84,1124 2.123,1125 6.59,1126 30.334,1127 3.578,1128 18.871,1129 23.861,1131 38.433,1132 17.958,1133 17634,1134 33662,1135 25.948,1136 37.029,1137 60.923,1138 63.634,1139 61.398,1140 59.143,1141 59.003,1142 83.866,1143 4.069,1144 177.342,1145 56.554,1146 5.725,1147 6.715,1148 6.991,1149 5.422,1150 5.439,1151 7.748,1152 4.069,1153 20.64,1154 5.148,1155 18.04,1156 1.562,1157 1.632,1158 1.574,1159 1.516,1160 1.513,1161 2.15,1162 0.104,1163 4.547,1164 1.45,1165 4.161,1166 4.189,1167 4.739,1168 4.093,1169 8.211,1170 4.081,1171 4.072,1172 4.057,1173 4.116,1174 4.031,1175 8.191,1176 3.971,1177 3.884,1178 3.912,1179 3.84,1180 3.82,1181 7.716,1182 3.82,1183 3.8,1184 3.839,1185 3.762,1186 3.693,1187 6.999,1188 3.703,1189 3.606,1190 3.586,1191 3.725,1192 3.512,1193 6.82,1194 3.448,1195 3.325,1196 3.372,1197 3.271,1198 3.203,1199 5.076,1200 3.206,1201 3.166,1202 3.221,1203 3.123,1204 3.01,1205 4.862,1206 3.03,1207 2.916,1208 2.98,1209 2.86,1210 2.764,1211 4.664,1212 2.769,1213 0.125,1214 0.121,1215 0.19,1216 0.112,1217 0.088,1218 4.891,1219 0.122,1220 4.715,1221 0.052,1222 7.401,1223 0.33,1224 4.356,1225 0.081,1226 3.439,1227 4.748,1228 2.035,1229 12.883,1230 3.148,1231 1.995,1232 1.984,1233 2.056,1234 2.081,1235 1.199,1236 2.088,1237 1.946,1238 1.947,1239 1.983,1240 2.019,1241 1.144,1242 2.034,1243 1.883,1244 1.859,1245 1.929,1246 1.975,1247 1.059,1248 1.978,1249 1.696,1250 1.661,1251 1.776,1252 1.857,1253 0.853,1254 1.839,1255 1.435,1256 1.429,1257 1.576,1258 1.635,1259 0.599,1260 1.631,1261 1.394,1262 1.379,1263 1.239,1264 1.551,1265 0.527,1266 1.577,1267 1.105,1268 1.059,1269 1.219,1270 1.283,1271 0.293,1272 1.265,1273 1.017,1274 0.978,1275 1.128,1276 1.154,1277 0.188,1278 1.169,1279 4.369,1281 5.727,1282 2.398,1283 7.277,1284 4.727,1285 8.913,1286 6.843,1287 10.592,1291 27.21,1296 2.277,1303 9.209,1304 2.125,1305 36.651,1306 91.883,1307 182.803,1308 240.909,1309 278.193,1310 280.193,1311 280.193,1312 84.813,1313 8.578,1314 111.53,1315 119.91,1316 29,1317 12.936,1318 5,1319 4.248,1320 52.297,1321 166,1322 165,1323 0.152,1324 225.192,1325 388.39,1326 541.229,1327 74532,1328 4,1329 24.579,1330 0.702,1331 0.533,1332 23.088,1333 18.644,1334 16.836,1335 0.432,1336 0.301,1337 10.226,1338 15.445,1339 9.931,1340 8.193,1341 16.852,1342 11.732,1343 15.927,1344 0.279,1345 0.163,1346 16.06,1347 9.308,1348 13.256,1349 0.174,1350 0.089,1351 13.635,1352 6.756,1353 11.579,1354 0.114,1355 0.047,1356 11.693,1357 4.808,1358 8.829,1359 0.07,1360 0.025,1361 9.474,1362 3.161,1363 0.242,1364 114.1,1365 0.196,1366 32.204,1367 0.411,1368 192,1369 720.155,1370 248.148,1371 676.976,1372 900.75,1373 622,1374 229,1375 623.728,1376 295.463,1377 662.604,1378 963.66,1379 620,1380 7.569}
{0 CHEMBL2029359,1 1.79,2 8.769,3 1.224,4 1.498,5 95.935,6 8.3,7 0.552,8 3.941,9 4.043,10 3.751,11 3.486,12 4.991,13 3.459,14 4.514,15 4.67,16 3.997,17 3.856,18 5.769,19 3.832,20 4.723,21 4.918,22 3.954,23 3.93,24 5.844,25 3.88,26 4.653,27 4.882,28 3.919,29 3.906,30 5.745,31 3.824,32 4.61,33 4.818,34 3.952,35 3.881,36 5.672,37 3.817,38 4.605,39 4.79,40 4.042,41 3.916,42 5.768,43 3.845,44 4.705,45 4.902,46 4.022,47 3.981,48 5.782,49 3.879,50 4.805,51 5.002,52 3.911,53 3.919,54 5.995,55 3.812,56 0.112,57 0.741,58 10.582,59 4.388,60 16.455,61 4.904,62 0.474,63 1.174,64 22.457,65 7.389,66 57.73,67 8.49,68 0.649,69 1.326,70 24.721,71 7.666,72 70.932,73 9.818,74 0.486,75 1.288,76 24.098,77 8.107,78 49.879,79 10.988,80 0.409,81 1.234,82 22.506,83 7.408,84 39.554,85 10.044,86 0.497,87 1.26,88 21.028,89 7.93,90 40.665,91 9.979,92 0.455,93 1.335,94 30.741,95 9.752,96 48.383,97 11.464,98 0.734,99 1.277,100 33.06,101 10.615,102 100.537,103 12.229,104 12,105 42,106 0.306,107 0.652,108 0.81,109 0.828,110 0.828,111 0.828,112 3.305,113 1.072,114 -2.94,115 -2.95,116 -2.84,119 37.8,124 1,125 5,142 3,143 2,145 1,146 1,147 1,149 1,151 1,161 1,172 3,174 3,175 7,178 1,180 2,183 2,186 1,187 4,192 1,195 1,198 5,199 5,204 1,207 1,211 1,212 4,220 1,223 5,224 4,227 2,232 1,236 1,237 4,245 1,249 2,250 3,253 1,255 1,262 3,263 3,275 1002,276 17.342,277 17.342,278 17.342,279 17.342,280 17.342,281 15.22,282 15.393,283 10.181,284 18.061,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 11.061,291 21.354,292 4.922,293 15.591,294 3.701,295 1.672,296 0.745,297 0.639,298 0.639,299 0.639,300 4.001,304 1,305 1,306 498,307 3.24,310 60.853,311 224.977,314 102.726,318 1.266,319 33.151,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.5,331 228,332 4.649,333 5.068,334 6.472,335 4.059,336 3.163,337 4.447,338 3.272,339 10.258,340 2.942,341 4.472,342 3.188,343 6.335,344 3.957,345 3.028,346 4.389,347 0.86,348 9.759,349 2.757,350 4.254,351 2.975,352 6.171,353 3.805,354 2.871,355 3.918,356 0.8,357 9.187,358 2.599,359 3.832,360 2.751,361 5.941,362 3.52,363 2.575,364 3.205,366 8.374,367 2.432,368 3.502,369 2.51,370 5.197,371 3.13,372 2.171,373 2.757,375 6.507,376 2.068,377 3.034,378 2.281,379 4.478,380 2.643,381 1.739,382 2.301,384 4.494,385 1.567,386 2.96,387 1.85,388 4.376,389 2.481,390 1.534,391 2.11,393 4.24,394 1.448,395 2.825,396 1.534,397 4.201,398 2.347,399 1.413,400 1.903,402 3.761,403 1.316,404 2.524,405 1.466,406 3.493,407 2.005,408 1.087,409 1.535,411 2.607,412 0.995,413 2.2,414 1.308,415 3.434,416 1.952,417 1,418 1.174,420 2.353,421 0.946,422 2,423 1.256,424 3.247,425 1.922,426 1,427 1,428 2.136,429 0.913,430 1.902,431 1.021,432 3.134,433 1.352,434 0.409,435 0.609,436 1.011,437 0.385,438 1.202,439 0.41,440 3.04,441 0.817,442 -0.1,443 -0.122,445 -0.314,446 -0.089,447 1,448 0.1,449 2.691,450 0.485,451 -0.462,452 -0.56,454 -1.248,455 -0.435,456 0.918,457 -0.309,458 2.532,459 0.35,460 -0.591,461 -0.736,463 -1.568,464 -0.55,465 12.333,466 0.474,467 0.781,468 0.03,469 35.75,470 1.375,471 17.5,472 0.673,473 18.25,474 0.702,475 20.022,476 0.77,477 28.467,478 0.633,479 26.087,480 1.003,481 6.79,482 0.261,483 5.687,484 0.219,485 0.095,486 0.068,487 0.276,493 0.671,494 1.529,495 0.798,496 1.29,497 0.658,498 0.984,499 1.018,500 1.134,501 1.168,502 1.137,503 0.612,504 0.913,505 1.384,506 1.08,507 0.949,508 0.809,509 1.409,510 0.973,511 0.581,512 0.897,513 0.796,514 0.84,515 0.475,516 0.908,517 0.803,518 1.105,519 0.777,520 0.924,521 0.805,522 0.941,523 0.663,524 1.046,525 0.851,526 0.984,527 0.656,528 1.043,529 0.943,530 1.084,531 1.376,532 1.327,533 0.873,534 1.104,535 1.38,536 1.059,537 1.291,538 1.251,539 1.819,540 1.212,541 6.5,542 0.079,543 2.444,544 1.507,545 1.253,546 1.052,547 0.78,548 0.47,549 0.347,550 0.24,551 7622,552 23007,553 2.115,554 42.2,556 16,557 1,558 1,559 1,564 1.698,565 1.987,566 3.117,567 -0.218,568 1,569 1,573 80.571,574 1.79,575 3.82,576 4.747,577 4.853,578 4.853,579 4.853,580 2.484,581 4.181,582 4.672,583 3.292,584 1069.9,585 8.136,586 13277.3,588 1,591 247.133,592 1.508,593 4.629,594 0.224,595 0.007,596 0.058,597 0.04,598 0.034,599 0.028,600 0.02,601 0.013,602 0.011,603 0.011,604 0.446,605 0.33,606 1,607 0.902,608 125.135,609 0.025,610 -0.293,611 0.205,612 -0.115,613 -0.125,614 -0.01,615 -0.008,616 -0.009,617 -0.129,618 -0.064,619 0.215,620 0.028,621 -0.283,622 -0.079,623 -0.14,624 0.042,625 -0.253,626 -0.063,627 0.104,628 0.134,629 0.065,630 0.067,631 0.116,632 0.067,633 -0.025,634 -0.08,635 0.081,636 0.002,637 -0.058,638 0.03,639 0.174,640 0.034,641 0.044,642 -0.021,643 0.102,644 -0.094,645 -0.086,646 -0.013,647 -0.156,648 -0.143,649 -0.002,650 -0.091,651 -0.135,652 -0.141,653 -0.197,654 -0.191,655 -0.204,656 -0.223,657 4.12,658 4.766,659 0.808,660 21.497,661 1.017,662 1.132,663 1.711,664 2.926,665 0.675,666 3.401,667 3.761,668 3.97,669 4.277,670 4.5,671 4.635,672 4.836,673 4.97,674 5.03,675 5.118,676 5.657,677 0.647,678 373.48,679 3.401,680 4.963,681 5.802,682 6.698,683 7.555,684 8.454,685 9.321,686 10.22,687 11.093,688 11.992,689 11.1,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,731 45,733 18,735 29,737 48,738 17,739 11,746 4,747 5,761 11,762 6,766 2,769 1,771 2,777 1,778 1,781 19,782 7,783 1,784 9,785 1,790 5,794 0.75,795 3,805 1,806 1,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 26,851 1,854 5,856 1,859 1,870 6.7,873 2,874 1,877 13.083,878 8.383,879 5.458,880 2.546,881 3.236,882 1.435,883 1.016,884 4.552,885 10.679,886 3.689,887 4.353,888 4.849,889 5.498,890 6.035,891 6.448,892 6.95,893 7.403,894 7.676,895 8.098,896 0.833,897 38,898 9.785,900 4.403,901 7.862,902 18.379,904 15.49,905 2.362,906 61.417,910 211.88,911 88.942,912 70.266,914 55.313,916 6.046,917 82.896,918 267.193,919 70.266,920 7.19,921 14.296,922 43.522,923 119.156,924 39.8,925 14.099,926 188.338,928 211.88,929 153.163,930 55.313,931 6.046,933 214.208,934 44.313,935 11,937 44.601,938 55.877,939 56.403,941 211.88,942 125.579,943 88.942,945 6.046,946 211.88,947 29.182,948 56.838,949 16.786,950 105.669,951 211.88,952 125.579,953 88.942,955 0.591,956 0.313,957 0.175,958 0.095,959 22,960 9,961 0.083,962 4,963 1,964 1.095,965 3.759,966 227.026,967 0.095,968 21,969 116.211,973 1,974 17.255,975 6.859,976 3.998,977 1.738,978 108.794,979 9.137,980 13.516,981 3.05,984 2.421,986 16.786,987 426.401,988 39,991 -3.203,993 23.531,999 45.753,1000 50.946,1001 0.326,1002 0.696,1003 0.864,1004 0.884,1005 0.884,1006 0.884,1007 4.942,1008 1.413,1009 5.826,1010 4.24,1011 4.443,1012 5.04,1013 3.213,1014 6.655,1015 4.294,1016 6.188,1017 1.087,1018 7.394,1019 3.761,1020 4.205,1021 5.156,1022 0.325,1023 7.727,1024 3.944,1025 7.542,1026 1,1027 9.065,1028 2.607,1029 6.107,1030 7.383,1031 5.446,1032 10.698,1033 5.802,1034 8.934,1035 1,1036 10.795,1037 2.353,1038 6.635,1039 8.279,1040 0.268,1041 12.508,1042 6.212,1043 10.357,1044 0.409,1045 12.56,1046 2.136,1047 8.059,1048 10.044,1049 7.807,1050 15.037,1051 7.588,1052 11.801,1053 -0.1,1054 14.348,1055 1.011,1056 8.914,1057 11.262,1058 0.188,1059 17.126,1060 8.333,1061 13.261,1062 -0.462,1063 16.151,1064 -0.314,1065 10.153,1066 12.856,1067 10.177,1068 19.504,1069 9.512,1070 3.163,1071 -0.591,1072 17.963,1073 -1.248,1074 11.154,1075 14.215,1076 0.125,1077 21.708,1078 10.413,1079 3.028,1080 10.258,1081 19.784,1082 -1.568,1083 12.319,1084 15.74,1085 12.548,1086 24.031,1087 11.51,1088 2.871,1089 9.759,1090 21.609,1091 4.447,1092 13.385,1093 17.162,1094 0.082,1095 26.285,1096 12.486,1097 2.575,1098 9.187,1099 23.439,1100 4.389,1101 14.522,1102 18.659,1103 14.919,1104 28.589,1105 13.551,1106 2.171,1107 8.374,1108 25.271,1109 3.918,1110 15.619,1111 20.111,1112 0.054,1113 30.867,1114 14.564,1115 1.739,1116 6.507,1117 27.107,1118 3.205,1119 16.747,1120 21.597,1121 17.29,1122 33.167,1123 15.617,1124 1.534,1125 4.494,1126 28.944,1127 2.757,1128 17.859,1129 23.063,1130 0.035,1131 35.457,1132 16.65,1133 7232,1134 12703,1135 19.474,1136 30.37,1137 44.032,1138 46.719,1139 43.729,1140 44.083,1141 43.979,1142 58.699,1143 9.865,1144 129.372,1145 40.737,1146 5.649,1147 7.068,1148 6.274,1149 5.163,1150 5.163,1151 7.447,1152 6.545,1153 16.838,1154 4.9,1155 11.204,1156 1.518,1157 1.611,1158 1.508,1159 1.52,1160 1.517,1161 2.024,1162 0.34,1163 4.461,1164 1.405,1165 4.122,1166 4.159,1167 4.723,1168 4.042,1169 7.715,1170 4.016,1171 4.01,1172 4.005,1173 4.072,1174 3.966,1175 6.999,1176 3.88,1177 3.832,1178 3.85,1179 3.826,1180 3.668,1181 5.098,1182 3.659,1183 3.637,1184 3.677,1185 3.555,1186 3.447,1187 4.905,1188 3.458,1189 3.334,1190 3.385,1191 3.256,1192 3.212,1193 4.606,1194 3.211,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.31,1200 2.91,1201 2.934,1202 3.02,1203 2.817,1204 2.688,1205 3.999,1206 2.694,1207 2.866,1208 2.944,1209 2.776,1210 2.638,1211 3.908,1212 2.665,1213 0.16,1214 0.175,1215 0.223,1216 0.14,1217 0.109,1218 4.649,1219 0.153,1220 5.068,1221 0.113,1222 6.472,1223 0.354,1224 4.059,1225 0.101,1226 3.163,1227 4.447,1228 3.272,1229 10.258,1230 2.942,1231 1.946,1232 1.931,1233 1.998,1234 2.083,1235 1.25,1236 2.079,1237 1.829,1238 1.834,1239 1.916,1240 1.961,1241 1.182,1242 1.964,1243 1.713,1244 1.678,1245 1.782,1246 1.896,1247 1.064,1248 1.937,1249 1.504,1250 1.472,1251 1.64,1252 1.718,1253 0.825,1254 1.71,1255 1.464,1256 1.395,1257 1.584,1258 1.666,1259 0.738,1260 1.673,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.612,1266 1.429,1267 1.05,1268 1.008,1269 1.272,1270 1.212,1271 0.427,1272 1.246,1273 0.894,1274 0.803,1275 1.172,1276 1.172,1277 0.313,1278 1.176,1279 4.078,1281 5.425,1282 2.398,1283 6.95,1284 4.595,1285 8.554,1286 6.581,1287 10.201,1289 1.205,1295 2.544,1297 5.392,1300 2.086,1305 29.126,1306 80.571,1307 171.908,1308 213.624,1309 218.379,1310 218.379,1311 218.379,1312 44.01,1313 7.442,1314 101.07,1315 109.45,1316 23,1317 12.52,1318 4.248,1319 3.459,1320 37.702,1321 87,1322 80,1323 0.211,1324 180.866,1325 301.92,1326 433.073,1327 15921,1329 18.148,1330 0.698,1331 0.583,1332 18.398,1333 15.161,1334 12.477,1335 0.43,1336 0.357,1337 8.32,1338 11.111,1339 7.942,1340 6.512,1341 13.404,1342 10.358,1343 12.28,1344 0.292,1345 0.202,1346 13.663,1347 8.49,1348 9.092,1349 0.175,1350 0.096,1351 9.543,1352 4.989,1353 8.109,1354 0.114,1355 0.051,1356 8.625,1357 3.656,1358 6.385,1359 0.072,1360 0.026,1361 6.742,1362 2.321,1363 0.321,1364 88.431,1365 0.227,1366 24.684,1367 0.609,1368 142,1369 456.98,1370 188.628,1371 455.236,1372 613.46,1373 422,1374 165,1375 425.563,1376 218.701,1377 457.858,1378 660.97,1379 426,1380 6.009}
{0 CHEMBL2029988,1 1.881,2 14.946,3 5.289,4 27.97,5 125.978,6 8.771,7 0.55,8 4.219,9 4.314,10 3.899,11 3.653,12 5.494,13 3.706,14 4.744,15 4.885,16 4.339,17 4.011,18 6.337,19 4.068,20 4.904,21 5.032,22 4.402,23 4.137,24 6.272,25 4.191,26 5.126,27 5.311,28 4.377,29 4.13,30 6.571,31 4.172,32 4.974,33 5.164,34 4.264,35 4.046,36 6.343,37 4.07,38 4.786,39 4.968,40 4.128,41 4.006,42 6.066,43 3.99,44 4.864,45 5.074,46 4.077,47 3.985,48 6.069,49 3.98,50 4.8,51 4.98,52 4.087,53 3.866,54 6.377,55 3.882,56 0.373,57 1.057,58 8.739,59 5.162,60 29.429,61 5.383,62 1.339,63 1.931,64 20.987,65 8.454,66 173.246,67 9.138,68 1.053,69 1.951,70 21.545,71 9.722,72 72.947,73 10.011,74 2.277,75 2.089,76 38.066,77 11.694,78 214.502,79 11.887,80 1.593,81 1.774,82 30.379,83 9.092,84 138.867,85 10.903,86 1.053,87 1.484,88 22.209,89 8.254,90 69.681,91 10.695,92 1.09,93 1.532,94 27.413,95 8.939,96 101.103,97 11.217,98 1.51,99 1.367,100 25.125,101 7.636,102 179.752,103 9.033,104 75,105 59,106 0.303,107 0.652,108 0.769,109 0.833,110 0.839,111 0.844,112 3.642,113 0.809,114 -4.55,115 -4.47,116 -4.21,119 40.7,120 2,123 1,124 2,132 1,142 7,143 1,144 4,146 1,147 2,148 1,152 1,159 1,166 1,172 5,174 2,175 11,178 3,179 1,180 3,183 6,186 1,187 10,190 1,192 1,195 4,198 3,199 11,202 2,204 5,207 2,211 4,212 2,215 1,217 3,220 3,223 3,224 7,227 2,229 3,232 6,237 8,242 3,245 3,249 2,250 8,253 2,255 2,258 4,262 1,263 4,266 1,268 1,271 5,275 2648,276 24.187,277 24.187,278 24.187,279 24.187,280 24.187,281 21.493,282 32.44,283 13.789,284 25.152,285 19.618,286 19.618,287 19.618,288 19.618,289 19.618,290 15.364,291 43.786,292 6.378,293 21.053,294 4.002,295 1.834,296 1.109,297 0.708,298 0.674,299 0.64,300 4.328,305 1,306 1171,307 4.95,310 114.89,311 342.262,315 180.205,318 2.335,319 62.75,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 86,331 553,332 4.811,333 4.508,334 8.294,335 4.695,336 3.765,337 4.512,338 3.02,339 15.26,340 3.534,341 4.574,342 3.565,343 6.585,344 4.092,345 3.133,346 4.047,347 1.656,348 10.527,349 3.004,350 4.121,351 3.325,352 6.104,353 3.731,354 2.781,355 3.697,356 0.86,357 8.676,358 2.644,359 4.021,360 3.159,361 6.043,362 3.622,363 2.695,364 3.479,365 0.86,366 8.344,367 2.496,368 3.959,369 3.085,370 5.671,371 3.532,372 2.594,373 3.41,374 0.86,375 7.897,376 2.417,377 3.633,378 2.731,379 5.441,380 3.269,381 2.339,382 2.905,383 0.247,384 7.078,385 2.167,386 3.443,387 2.457,388 5.241,389 3.029,390 2.124,391 2.773,393 6.494,394 1.912,395 3.269,396 2.338,397 4.982,398 2.886,399 1.95,400 2.472,402 5.772,403 1.783,404 3.131,405 2.212,406 4.629,407 2.718,408 1.756,409 2.268,411 4.913,412 1.656,413 2.992,414 1.914,415 4.467,416 2.493,417 1.575,418 2.203,420 4.323,421 1.438,422 2.707,423 1.471,424 4.245,425 2.244,426 1.348,427 1.78,428 3.517,429 1.208,430 2.645,431 1.404,432 3.886,433 2.189,434 1.221,435 1.703,436 3.079,437 1.168,438 2.483,439 1.262,440 3.496,441 2.142,442 1.16,443 1.472,445 2.613,446 1.126,447 2.144,448 1,449 3.294,450 1.664,451 0.677,452 0.986,454 1.666,455 0.667,456 1.888,457 0.959,458 3.205,459 1.538,460 0.648,461 0.78,463 1.359,464 0.571,465 16.524,466 0.447,467 1.246,468 0.034,469 49.25,470 1.331,471 24,472 0.649,473 25.25,474 0.682,475 31.955,476 0.864,477 41.676,478 0.706,479 45.247,480 1.223,481 10.101,482 0.273,483 7.411,484 0.2,485 0.193,486 0.061,487 0.303,490 3,493 0.71,494 1.125,495 0.628,496 1.189,497 0.619,498 0.958,499 0.686,500 0.721,501 0.608,502 0.832,503 0.458,504 0.733,505 1.005,506 1.25,507 0.919,508 1.279,509 0.842,510 1.122,511 1.432,512 1.107,513 1.247,514 0.915,515 1.498,516 0.967,517 0.956,518 0.815,519 1.02,520 0.859,521 0.918,522 0.932,523 0.48,524 0.671,525 0.859,526 1.001,527 0.447,528 1.074,529 0.865,530 0.874,531 0.947,532 0.975,533 0.777,534 0.976,535 0.852,536 0.609,537 1.061,538 0.853,539 0.76,540 0.999,541 10.5,542 0.306,543 5.111,544 3.063,545 2.405,546 1.469,547 0.77,548 0.646,549 0.393,550 0.38,551 22145,552 83423,553 1.994,554 37.3,555 6,556 13,558 1,559 2,564 1.777,565 1.82,566 3.834,567 0.269,573 110.955,574 1.881,575 4.049,576 4.774,577 5.175,578 5.209,579 5.242,580 3.268,581 4.736,582 5.185,583 4.064,584 2706.72,585 9.096,586 46034.6,591 347.076,592 1.731,593 5.103,594 0.262,595 0.008,596 0.087,597 0.049,598 0.042,599 0.028,600 0.016,601 0.014,602 0.009,603 0.01,604 0.527,605 0.17,606 0.88,607 1.053,608 206.99,609 -0.049,610 -0.14,611 0.038,612 -0.118,613 -0.099,614 -0.029,615 0.237,616 0.301,617 0.246,618 0.187,619 0.369,620 0.204,621 -0.126,622 -0.272,623 -0.104,624 -0.262,625 -0.064,626 -0.197,627 -0.16,628 0.068,629 -0.194,630 0.071,631 -0.189,632 -0.029,633 -0.03,634 0.053,635 -0.057,636 0.062,637 -0.048,638 0.01,639 0.158,640 0.107,641 -0.009,642 -0.039,643 0.074,644 -0.088,645 -0.122,646 -0.077,647 -0.003,648 -0.019,649 -0.079,650 0.04,651 0.092,652 0.207,653 -0.106,654 0.058,655 0.215,656 -0.074,657 5.807,658 5.4,659 0.568,660 43.34,661 1.043,662 1.148,663 3.318,664 11.008,665 0.656,666 3.714,667 4.094,668 4.344,669 4.543,670 4.736,671 4.852,672 4.934,673 5.004,674 5.088,675 5.13,676 8.921,677 0.663,678 517.51,679 3.714,680 5.293,681 6.151,682 7.048,683 7.926,684 8.824,685 9.708,686 10.606,687 11.493,688 12.391,689 8.5,696 2,699 3,703 2,704 8,705 3,707 1,709 7,711 22,729 3,731 59,733 23,734 2,735 40,737 62,738 24,739 17,740 6,741 6,746 4,747 5,751 1,752 3,753 1,757 1,761 18,762 6,766 1,771 1,775 1,779 3,781 22,782 13,783 2,784 13,789 1,790 5,794 0.75,795 5,806 1,811 1,812 3,816 1,840 3,844 4,846 3,848 37,855 2,856 3,860 2,869 3,870 8.5,873 1,875 4,877 20.333,878 12.029,879 7.979,880 3.125,881 4.341,882 1.522,883 0.95,884 7.483,885 12.658,886 3.97,887 4.608,888 5.171,889 5.756,890 6.276,891 6.605,892 6.956,893 7.324,894 7.705,895 7.898,896 0.9,897 62,898 14.19,900 6.683,901 8.261,902 24.594,904 19.529,905 2.761,906 102.167,910 235.422,911 162.2,912 89.189,914 67.879,915 44.88,917 162.2,918 303.301,919 134.069,920 39.417,921 36.022,922 66.334,923 90.084,924 119.437,925 16.867,926 223.651,927 7.76,928 235.422,929 251.389,930 112.759,933 235.422,934 112.759,937 72.194,938 126.027,939 53.168,941 280.302,942 157.068,943 162.2,946 243.182,947 40.071,948 114.369,949 36.022,950 165.927,951 235.422,952 201.948,953 162.2,955 0.597,956 0.352,957 0.175,958 0.092,959 28,960 14,961 0.113,962 7,963 1,964 1.095,965 4.592,966 351.847,967 0.095,968 21,969 185.995,974 26.516,975 10.442,976 5.734,977 1.136,978 201.948,979 12.163,980 11.919,982 4.797,984 1.297,986 36.022,987 599.57,988 52,993 12.4,997 -0.744,999 61.52,1000 67.71,1001 0.32,1002 0.688,1003 0.811,1004 0.88,1005 0.885,1006 0.891,1007 5.244,1008 1.95,1009 6.209,1010 6.494,1011 4.779,1012 5.296,1013 3.175,1014 7.111,1015 4.651,1016 6.499,1017 1.756,1018 7.846,1019 5.772,1020 4.691,1021 5.278,1022 3.176,1023 8.482,1024 4.478,1025 7.849,1026 1.575,1027 9.609,1028 4.913,1029 6.532,1030 7.542,1031 4.683,1032 11.562,1033 6.291,1034 9.238,1035 1.348,1036 11.457,1037 4.323,1038 7.245,1039 8.278,1040 5.504,1041 13.815,1042 6.924,1043 10.658,1044 1.221,1045 13.365,1046 3.517,1047 8.666,1048 10.08,1049 6.698,1050 16.595,1051 8.309,1052 12.101,1053 1.16,1054 15.321,1055 3.079,1056 9.72,1057 11.174,1058 7.734,1059 19.166,1060 9.29,1061 13.563,1062 0.677,1063 17.313,1064 2.613,1065 11.027,1066 12.787,1067 8.859,1068 21.894,1069 10.549,1070 3.765,1071 0.648,1072 19.334,1073 1.666,1074 12.226,1075 14.066,1076 9.948,1077 24.567,1078 11.679,1079 3.133,1080 15.26,1081 21.378,1082 1.359,1083 13.514,1084 15.597,1085 11.057,1086 27.289,1087 12.91,1088 2.781,1089 10.527,1090 23.439,1091 4.512,1092 14.776,1093 16.974,1094 12.158,1095 29.996,1096 14.105,1097 2.695,1098 8.676,1099 25.514,1100 4.047,1101 16.069,1102 18.472,1103 13.264,1104 32.718,1105 15.337,1106 2.594,1107 8.344,1108 27.598,1109 3.697,1110 17.36,1111 19.901,1112 14.368,1113 35.437,1114 16.562,1115 2.339,1116 7.897,1117 29.691,1118 3.479,1119 18.663,1120 21.389,1121 15.474,1122 38.16,1123 17.801,1124 2.124,1125 7.078,1126 31.789,1127 3.41,1128 19.968,1129 22.846,1130 16.579,1131 40.883,1132 19.04,1133 21437,1134 41845,1135 25.542,1136 38.727,1137 61.135,1138 61.749,1139 62.919,1140 60.378,1141 60.358,1142 77.891,1143 15.006,1144 184.245,1145 56.281,1146 5.688,1147 6.508,1148 7.848,1149 5.791,1150 5.765,1151 7.512,1152 4.53,1153 24.059,1154 5.534,1155 24.139,1156 1.528,1157 1.544,1158 1.573,1159 1.509,1160 1.509,1161 1.947,1162 0.375,1163 4.606,1164 1.407,1165 4.074,1166 4.094,1167 4.049,1168 3.967,1169 8.513,1170 3.984,1171 3.963,1172 3.989,1173 3.933,1174 3.819,1175 7.999,1176 3.829,1177 3.883,1178 3.909,1179 3.832,1180 3.766,1181 7.999,1182 3.786,1183 3.6,1184 3.652,1185 3.564,1186 3.359,1187 7.431,1188 3.392,1189 3.5,1190 3.532,1191 3.448,1192 3.262,1193 5.213,1194 3.304,1195 3.343,1196 3.378,1197 3.308,1198 3.041,1199 5.135,1200 3.096,1201 3.252,1202 3.317,1203 3.078,1204 2.968,1205 4.84,1206 2.981,1207 3.088,1208 3.174,1209 2.943,1210 2.843,1211 4.737,1212 2.841,1213 0.12,1214 0.113,1215 0.207,1216 0.117,1217 0.094,1218 4.811,1219 0.113,1220 4.508,1221 0.076,1222 8.294,1223 0.382,1224 4.695,1225 0.088,1226 3.765,1227 4.512,1228 3.02,1229 15.26,1230 3.534,1231 1.994,1232 1.978,1233 2.045,1234 2.117,1235 1.167,1236 2.094,1237 1.871,1238 1.845,1239 1.972,1240 1.984,1241 1.161,1242 1.979,1243 1.758,1244 1.725,1245 1.927,1246 1.929,1247 1.056,1248 1.921,1249 1.441,1250 1.391,1251 1.604,1252 1.728,1253 0.595,1254 1.676,1255 1.378,1256 1.342,1257 1.576,1258 1.654,1259 0.592,1260 1.629,1261 1.194,1262 1.121,1263 1.563,1264 1.525,1265 0.575,1266 1.54,1267 1.115,1268 1.07,1269 1.417,1270 1.357,1271 0.469,1272 1.353,1273 1.068,1274 0.98,1275 1.342,1276 1.329,1277 0.331,1278 1.331,1279 4.394,1281 5.759,1282 2.398,1283 7.311,1284 4.595,1285 8.95,1286 6.605,1287 10.635,1289 4.93,1291 39.635,1296 4.904,1297 16.562,1301 -6.832,1305 39.099,1306 110.955,1307 238.895,1308 281.65,1309 305.302,1310 307.302,1311 309.302,1312 94.424,1313 8.317,1314 120.63,1315 120.63,1316 23,1317 12.917,1318 4.585,1319 3.7,1320 65.224,1321 202,1322 170,1323 0.156,1324 236.759,1325 418.84,1326 569.452,1327 57524,1328 5.1,1329 26.794,1330 0.724,1331 0.544,1332 24.294,1333 20.136,1334 17.512,1335 0.438,1336 0.27,1337 10.475,1338 16.28,1339 10.19,1340 8.479,1341 16.262,1342 10.781,1343 16.982,1344 0.288,1345 0.141,1346 15.376,1347 8.311,1348 13.75,1349 0.181,1350 0.072,1351 12.022,1352 5.487,1353 10.599,1354 0.114,1355 0.035,1356 10.117,1357 3.237,1358 8.185,1359 0.072,1360 0.018,1361 7.916,1362 2.055,1363 0.253,1364 114.032,1365 0.198,1366 34.122,1367 0.407,1368 198,1369 890.612,1370 240.396,1371 756.35,1372 996.85,1373 702,1374 234,1375 719.46,1376 271.992,1377 699.747,1378 1036,1379 650,1380 5}
{0 CHEMBL2030436,1 1.735,2 8.769,3 2.315,4 5.36,5 98.139,6 8.098,7 0.552,8 3.953,9 4.054,10 3.745,11 3.52,12 4.98,13 3.482,14 4.528,15 4.68,16 3.99,17 3.895,18 5.759,19 3.859,20 4.75,21 4.947,22 3.947,23 3.984,24 5.838,25 3.917,26 4.689,27 4.916,28 3.917,29 3.956,30 5.744,31 3.86,32 4.654,33 4.872,34 3.95,35 3.914,36 5.691,37 3.841,38 4.619,39 4.802,40 4.036,41 3.95,42 5.761,43 3.87,44 4.723,45 4.917,46 4.012,47 4.032,48 5.777,49 3.913,50 4.838,51 5.035,52 3.899,53 3.993,54 5.954,55 3.864,56 0.093,57 0.73,58 11.228,59 4.651,60 15.365,61 5.268,62 0.408,63 1.18,64 22.95,65 7.857,66 55.238,67 9.114,68 0.593,69 1.36,70 25.922,71 8.412,72 67.239,73 10.784,74 0.387,75 1.333,76 25.054,77 8.859,78 45.024,79 12.039,80 0.396,81 1.281,82 24.444,83 7.891,84 40.264,85 10.783,86 0.446,87 1.275,88 21.862,89 8.31,90 39.069,91 10.506,92 0.377,93 1.363,94 31.034,95 10.655,96 43.078,97 12.407,98 0.564,99 1.332,100 35.196,101 12.091,102 84.694,103 13.837,104 12,105 42,106 0.295,107 0.631,108 0.782,109 0.825,110 0.833,111 0.833,112 3.305,113 1.086,114 -3.11,115 -3.11,116 -2.99,119 39.1,124 1,125 5,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 5,180 3,183 5,186 1,187 4,192 2,195 4,198 3,199 7,204 1,207 2,211 1,212 5,220 2,223 4,224 4,227 2,232 2,236 1,237 6,245 1,250 6,253 1,255 1,262 2,263 4,275 1002,276 17.342,277 17.342,278 17.342,279 17.342,280 17.342,281 15.22,282 15.393,283 10.181,284 18.006,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 11.061,291 21.354,292 4.922,293 15.499,294 3.788,295 1.809,296 0.921,297 0.669,298 0.625,299 0.625,300 4.001,303 1,304 1,305 1,306 498,307 3.24,310 60.853,311 224.977,314 102.726,318 1.266,319 30.907,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 228,332 4.649,333 5.068,334 6.472,335 4.062,336 3.163,337 4.447,338 3.272,339 10.258,340 2.968,341 4.472,342 3.188,343 6.335,344 3.964,345 3.028,346 4.389,347 0.86,348 9.759,349 2.77,350 4.254,351 2.975,352 6.171,353 3.81,354 2.871,355 3.918,356 0.8,357 9.187,358 2.601,359 3.832,360 2.751,361 5.941,362 3.523,363 2.575,364 3.205,366 8.374,367 2.439,368 3.502,369 2.51,370 5.197,371 3.131,372 2.171,373 2.757,375 6.507,376 2.069,377 3.034,378 2.281,379 4.478,380 2.643,381 1.739,382 2.301,384 4.494,385 1.568,386 2.96,387 1.85,388 4.376,389 2.523,390 1.534,391 2.11,393 4.24,394 1.516,395 2.825,396 1.534,397 4.201,398 2.352,399 1.413,400 1.903,402 3.761,403 1.322,404 2.524,405 1.466,406 3.493,407 2.007,408 1.087,409 1.535,411 2.607,412 0.999,413 2.2,414 1.308,415 3.434,416 1.952,417 1,418 1.174,420 2.353,421 0.946,422 2,423 1.256,424 3.247,425 1.923,426 1,427 1,428 2.136,429 0.915,430 1.902,431 1.021,432 3.134,433 1.381,434 0.409,435 0.609,436 1.011,437 0.397,438 1.202,439 0.41,440 3.04,441 0.817,442 -0.1,443 -0.122,445 -0.314,446 -0.089,447 1,448 0.1,449 2.691,450 0.489,451 -0.462,452 -0.56,454 -1.248,455 -0.436,456 0.918,457 -0.309,458 2.532,459 0.356,460 -0.591,461 -0.736,463 -1.568,464 -0.554,465 12.433,466 0.478,467 0.781,468 0.03,469 35.25,470 1.356,471 17.5,472 0.673,473 17.75,474 0.683,475 20.335,476 0.782,477 28.367,478 0.617,479 25.775,480 0.991,481 6.71,482 0.258,483 5.767,484 0.222,485 0.094,486 0.067,487 0.273,493 0.649,494 1.442,495 0.812,496 1.25,497 0.656,498 0.975,499 1.017,500 1.155,501 1.172,502 1.143,503 0.602,504 0.931,505 1.37,506 0.997,507 0.954,508 0.791,509 1.392,510 0.966,511 0.555,512 1.039,513 0.798,514 0.91,515 0.459,516 0.965,517 0.826,518 1.022,519 0.778,520 0.855,521 0.806,522 0.887,523 0.677,524 1.054,525 0.865,526 0.976,527 0.656,528 1.039,529 0.913,530 1.05,531 1.38,532 1.306,533 0.84,534 1.12,535 1.358,536 1.077,537 1.324,538 1.315,539 1.793,540 1.227,541 6.5,542 0.079,543 2.444,544 1.507,545 1.253,546 1.052,547 0.78,548 0.47,549 0.347,550 0.24,551 7622,552 22067,553 2.115,554 43.5,556 18,557 1,559 1,564 1.698,565 1.987,566 3.117,567 -0.256,568 1,569 1,573 79.832,574 1.735,575 3.714,576 4.603,577 4.855,578 4.898,579 4.898,580 2.484,581 4.181,582 4.672,583 3.292,584 1069.9,585 8.136,586 13277.3,588 1,590 1,591 254.084,592 1.508,593 4.629,594 0.224,595 0.007,596 0.058,597 0.04,598 0.034,599 0.028,600 0.02,601 0.013,602 0.011,603 0.011,604 0.446,605 0.33,606 1,607 0.902,608 125.135,609 0.045,610 -0.227,611 0.207,612 -0.087,613 -0.129,614 0.006,616 -0.035,617 -0.129,618 -0.072,619 0.221,620 0.016,621 -0.263,622 0.011,623 -0.143,624 0.065,625 -0.244,626 -0.051,627 0.094,628 -0.013,629 0.054,630 0.002,631 0.11,632 0.015,633 -0.028,634 0.01,635 0.09,636 0.052,637 -0.057,638 0.071,639 0.168,640 0.033,641 0.033,642 -0.019,643 0.103,644 -0.092,645 -0.07,646 0.023,647 -0.169,648 -0.129,649 0.016,650 -0.107,651 -0.158,652 -0.169,653 -0.2,654 -0.215,655 -0.215,656 -0.215,657 4.104,658 4.778,659 0.808,660 21.497,661 1.012,662 1.127,663 1.885,664 3.552,665 0.677,666 3.401,667 3.761,668 3.97,669 4.277,670 4.5,671 4.635,672 4.836,673 4.97,674 5.03,675 5.118,676 5.657,677 0.644,678 372.49,679 3.401,680 4.963,681 5.802,682 6.698,683 7.555,684 8.454,685 9.321,686 10.22,687 11.093,688 11.992,689 8.7,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 46,733 18,734 1,735 29,737 49,738 18,739 12,740 3,741 3,746 4,747 5,761 12,762 6,766 2,769 1,771 2,777 1,778 1,781 20,782 6,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 26,851 1,854 5,856 1,859 1,870 6.5,873 2,874 1,877 13.083,878 8.517,879 5.458,880 2.624,881 3.236,882 1.435,883 1.019,884 4.593,885 10.679,886 3.689,887 4.353,888 4.849,889 5.498,890 6.035,891 6.448,892 6.95,893 7.403,894 7.676,895 8.098,896 0.833,897 38,898 9.793,900 4.401,901 7.824,902 18.509,904 15.682,905 2.324,906 60.417,909 1,910 223.651,911 99.276,912 53.481,914 55.313,916 6.046,917 93.23,918 278.964,919 53.481,920 7.19,921 14.296,922 62.475,923 88.884,924 30.753,925 16.243,926 211.88,928 223.651,929 146.711,930 55.313,931 6.046,933 225.979,934 44.313,935 11,937 33.838,938 76.974,939 39.617,941 223.651,942 108.794,943 99.276,945 6.046,946 223.651,947 29.611,948 66.743,949 16.786,950 88.884,951 223.651,952 108.794,953 99.276,955 0.591,956 0.313,957 0.175,958 0.095,959 22,960 9,961 0.082,962 4,963 1,964 1.095,965 3.759,966 227.026,967 0.095,968 21,969 116.211,973 1,974 17.317,975 6.897,976 4.024,977 2.099,978 92.008,979 11.572,980 9.219,981 3.162,984 2.65,986 16.786,987 431.721,988 39,991 -3.188,993 23.556,999 46.534,1000 51.863,1001 0.314,1002 0.672,1003 0.833,1004 0.879,1005 0.887,1006 0.887,1007 4.942,1008 1.413,1009 5.826,1010 4.24,1011 4.443,1012 5.04,1013 3.213,1014 6.655,1015 4.307,1016 6.188,1017 1.087,1018 7.394,1019 3.761,1020 4.205,1021 5.156,1022 0.325,1023 7.727,1024 3.955,1025 7.542,1026 1,1027 9.065,1028 2.607,1029 6.107,1030 7.383,1031 5.446,1032 10.698,1033 5.827,1034 8.934,1035 1,1036 10.795,1037 2.353,1038 6.635,1039 8.279,1040 0.268,1041 12.508,1042 6.234,1043 10.357,1044 0.409,1045 12.56,1046 2.136,1047 8.059,1048 10.044,1049 7.807,1050 15.037,1051 7.623,1052 11.801,1053 -0.1,1054 14.348,1055 1.011,1056 8.914,1057 11.262,1058 0.188,1059 17.126,1060 8.369,1061 13.261,1062 -0.462,1063 16.151,1064 -0.314,1065 10.153,1066 12.856,1067 10.177,1068 19.504,1069 9.56,1070 3.163,1071 -0.591,1072 17.963,1073 -1.248,1074 11.154,1075 14.215,1076 0.125,1077 21.708,1078 10.465,1079 3.028,1080 10.258,1081 19.784,1082 -1.568,1083 12.319,1084 15.74,1085 12.548,1086 24.031,1087 11.573,1088 2.871,1089 9.759,1090 21.609,1091 4.447,1092 13.385,1093 17.162,1094 0.082,1095 26.285,1096 12.555,1097 2.575,1098 9.187,1099 23.439,1100 4.389,1101 14.522,1102 18.659,1103 14.919,1104 28.589,1105 13.629,1106 2.171,1107 8.374,1108 25.271,1109 3.918,1110 15.619,1111 20.111,1112 0.054,1113 30.867,1114 14.649,1115 1.739,1116 6.507,1117 27.107,1118 3.205,1119 16.747,1120 21.597,1121 17.29,1122 33.167,1123 15.713,1124 1.534,1125 4.494,1126 28.944,1127 2.757,1128 17.859,1129 23.063,1130 0.035,1131 35.457,1132 16.753,1133 7232,1134 12437,1135 19.474,1136 31.125,1137 44.032,1138 46.719,1139 43.729,1140 44.116,1141 43.979,1142 58.699,1143 9.865,1144 129.372,1145 41.021,1146 5.649,1147 7.068,1148 6.274,1149 5.165,1150 5.163,1151 7.447,1152 6.545,1153 16.838,1154 4.968,1155 11.204,1156 1.518,1157 1.611,1158 1.508,1159 1.521,1160 1.517,1161 2.024,1162 0.34,1163 4.461,1164 1.415,1165 4.136,1166 4.168,1167 4.723,1168 4.063,1169 7.715,1170 4.053,1171 4.013,1172 4.007,1173 4.083,1174 3.995,1175 6.999,1176 3.885,1177 3.833,1178 3.85,1179 3.827,1180 3.669,1181 5.04,1182 3.66,1183 3.637,1184 3.677,1185 3.555,1186 3.448,1187 4.882,1188 3.459,1189 3.351,1190 3.399,1191 3.266,1192 3.239,1193 4.606,1194 3.234,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.229,1200 2.91,1201 2.961,1202 3.028,1203 2.843,1204 2.846,1205 3.997,1206 2.838,1207 2.933,1208 3.01,1209 2.817,1210 2.682,1211 3.801,1212 2.69,1213 0.16,1214 0.175,1215 0.223,1216 0.14,1217 0.109,1218 4.649,1219 0.153,1220 5.068,1221 0.113,1222 6.472,1223 0.354,1224 4.062,1225 0.102,1226 3.163,1227 4.447,1228 3.272,1229 10.258,1230 2.968,1231 1.977,1232 1.958,1233 2.042,1234 2.088,1235 1.253,1236 2.087,1237 1.854,1238 1.866,1239 1.938,1240 1.971,1241 1.183,1242 1.987,1243 1.715,1244 1.683,1245 1.79,1246 1.897,1247 1.158,1248 1.938,1249 1.512,1250 1.477,1251 1.659,1252 1.721,1253 0.825,1254 1.719,1255 1.481,1256 1.421,1257 1.587,1258 1.666,1259 0.742,1260 1.673,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.658,1266 1.429,1267 1.05,1268 1.008,1269 1.273,1270 1.213,1271 0.431,1272 1.246,1273 0.896,1274 0.805,1275 1.177,1276 1.174,1277 0.313,1278 1.179,1279 4.078,1281 5.425,1282 2.398,1283 6.95,1284 4.595,1285 8.554,1286 6.581,1287 10.201,1289 1.217,1295 2.621,1297 5.402,1300 2.106,1305 29.632,1306 79.832,1307 170.859,1308 211.719,1309 223.329,1310 225.329,1311 225.329,1312 43.675,1313 7.442,1314 88.18,1315 96.56,1316 23,1317 12.52,1318 4.248,1319 3.459,1320 37.702,1321 87,1322 80,1323 0.211,1324 183.664,1325 308.22,1326 439.9,1327 15921,1329 18.148,1330 0.698,1331 0.588,1332 18.398,1333 15.291,1334 12.477,1335 0.43,1336 0.362,1337 8.476,1338 11.175,1339 8.084,1340 6.632,1341 13.404,1342 10.498,1343 12.28,1344 0.292,1345 0.205,1346 13.663,1347 8.63,1348 9.092,1349 0.175,1350 0.099,1351 9.543,1352 5.142,1353 8.109,1354 0.114,1355 0.053,1356 8.625,1357 3.787,1358 6.385,1359 0.072,1360 0.027,1361 6.742,1362 2.43,1363 0.321,1364 87.977,1365 0.227,1366 24.684,1367 0.609,1368 142,1369 437.335,1370 186.851,1371 437.991,1372 591.06,1373 406,1374 165,1375 409.098,1376 216.702,1377 442.365,1378 638.15,1379 412,1380 4.58}
{0 CHEMBL2030437,1 1.762,2 11.133,3 1.045,4 1.092,5 109,6 8.203,7 0.545,8 4.068,9 4.172,10 3.853,11 3.616,12 5.143,13 3.588,14 4.63,15 4.79,16 4.095,17 3.966,18 5.85,19 3.93,20 4.866,21 5.073,22 4.104,23 4.075,24 5.961,25 4.005,26 4.812,27 5.026,28 4.093,29 4.05,30 5.931,31 3.96,32 4.822,33 5.035,34 4.197,35 4.06,36 5.975,37 3.993,38 4.812,39 4.992,40 4.227,41 4.092,42 6.057,43 4.025,44 4.881,45 5.079,46 4.178,47 4.127,48 6.046,49 4.031,50 4.938,51 5.144,52 4.028,53 4.073,54 6.098,55 3.979,56 0.102,57 0.845,58 11.828,59 4.995,60 17.388,61 5.723,62 0.464,63 1.325,64 24.104,65 8.087,66 61.424,67 9.505,68 0.734,69 1.54,70 31.728,71 9.616,72 79.056,73 11.983,74 0.532,75 1.479,76 29.251,77 9.755,78 67.343,79 12.672,80 0.609,81 1.503,82 30.905,83 9.296,84 66.014,85 12.246,86 0.655,87 1.503,88 28.065,89 9.462,90 71.549,91 11.711,92 0.601,93 1.567,94 35.274,95 11.442,96 72.142,97 13.528,98 0.775,99 1.502,100 38.698,101 11.785,102 103.331,103 13.762,104 5,105 45,106 0.291,107 0.584,108 0.797,109 0.848,110 0.854,111 0.854,112 3.441,113 1.044,114 -2.21,115 -2.25,116 -2.22,119 38.5,121 1,125 6,142 4,145 4,146 3,147 1,149 1,172 2,174 3,175 6,183 1,186 4,187 6,198 3,199 4,211 4,212 6,220 2,223 6,224 1,232 1,236 4,237 6,245 1,249 2,250 5,258 1,262 4,263 3,271 1,275 1628,276 20.43,277 20.43,278 20.43,279 20.43,280 20.43,281 17.981,282 18.343,283 12.449,284 21.276,285 16.381,286 16.381,287 16.381,288 16.381,289 16.381,290 12.664,291 23.13,292 6.027,293 17.734,294 3.939,295 2.171,296 0.885,297 0.577,298 0.538,299 0.538,300 4.139,304 1,305 1,306 727,307 3.464,311 418.507,318 1.667,319 40.123,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66,331 334,332 4.702,333 5.144,334 6.745,335 4.099,336 3.23,337 4.492,338 3.272,339 11.064,340 2.855,341 4.342,342 3.188,343 6.301,344 3.914,345 2.988,346 4.003,347 0.86,348 9.656,349 2.688,350 3.943,351 2.871,352 6.016,353 3.623,354 2.684,355 3.44,356 0.8,357 8.629,358 2.517,359 3.887,360 2.76,361 5.341,362 3.452,363 2.497,364 3.417,366 6.961,367 2.379,368 3.548,369 2.59,370 5.235,371 3.182,372 2.234,373 2.795,375 6.596,376 2.107,377 3.186,378 2.302,379 4.493,380 2.716,381 1.77,382 2.469,384 4.573,385 1.683,386 2.923,387 2,388 4.283,389 2.619,390 1.697,391 2.091,393 4.065,394 1.549,395 2.898,396 1.719,397 3.707,398 2.454,399 1.503,400 1.955,402 3.161,403 1.426,404 2.565,405 1.542,406 3.518,407 2.07,408 1.148,409 1.594,411 2.708,412 1.055,413 2.5,414 1.401,415 3.472,416 1.958,417 1,418 1.5,420 2.509,421 0.955,422 2.5,423 1.256,424 3.451,425 1.952,426 1,427 1.5,428 2.136,429 0.946,430 2.198,431 1.055,432 3.247,433 1.917,434 1,435 1.171,436 2.136,437 0.915,438 2,439 1,440 3.247,441 1.912,442 1,443 1,445 2.136,446 0.904,447 1.835,448 1,449 3.247,450 1.596,451 0.641,452 0.733,454 1.524,455 0.605,456 1.202,457 0.456,458 2.935,459 0.809,460 -0.117,461 -0.145,463 -0.362,464 -0.106,465 14.233,466 0.474,467 0.669,468 0.022,469 42.25,470 1.408,471 21.5,472 0.717,473 20.75,474 0.692,475 23.254,476 0.775,477 32.567,478 0.626,479 31.799,480 1.06,481 8.088,482 0.27,483 6.501,484 0.217,485 0.047,486 0.059,487 0.204,493 0.646,494 1.559,495 0.791,496 1.316,497 0.637,498 1.015,499 1.076,500 1.243,501 1.166,502 1.168,503 0.699,504 0.995,505 1.314,506 0.905,507 1.104,508 0.887,509 1.354,510 0.941,511 0.877,512 1.09,513 0.953,514 1.022,515 1.021,516 1.023,517 0.899,518 0.974,519 0.904,520 0.947,521 1.006,522 0.87,523 0.966,524 1.081,525 1.032,526 1.064,527 1.118,528 1.049,529 1.009,530 1.064,531 1.335,532 1.277,533 1.078,534 1.099,535 1.475,536 0.969,537 1.372,538 1.202,539 1.817,540 1.109,541 6,542 0.091,543 2.444,544 1.5,545 1.307,546 1.222,547 0.856,548 0.424,549 0.222,550 0.239,551 11977,552 35228,553 2.119,554 42.3,556 16,558 4,560 2,564 1.733,565 2.034,566 3.422,567 -0.66,568 1,569 1,573 91.612,574 1.762,575 3.529,576 4.816,577 5.124,578 5.162,579 5.162,580 2.836,581 3.774,582 4.876,583 3.613,584 1571.79,585 8.536,586 22056.8,588 1,591 296.423,592 1.249,593 4.855,594 0.182,595 0.004,596 0.054,597 0.035,598 0.032,599 0.027,600 0.019,601 0.01,602 0.006,603 0.008,604 0.376,605 0.33,606 0.88,607 0.424,608 153.823,609 0.047,610 -0.338,611 0.199,612 -0.146,613 -0.086,614 -0.036,615 -0.045,616 -0.122,617 -0.124,618 -0.101,619 0.152,620 -0.055,621 -0.195,622 0.115,623 -0.116,624 0.077,625 -0.195,626 -0.002,627 0.004,628 -0.08,629 0.028,630 -0.025,632 -0.038,633 0.055,634 0.057,635 0.137,636 0.069,637 0.03,638 0.103,639 0.09,640 -0.012,641 -0.019,642 -0.041,643 0.072,644 -0.104,645 -0.011,646 -0.015,647 -0.135,648 -0.127,649 0.047,650 -0.103,651 -0.215,652 -0.022,653 -0.235,654 -0.125,655 -0.217,656 -0.123,657 4.318,658 5.751,659 0.8,660 30.187,661 1.014,662 1.132,663 0.979,664 0.958,665 0.676,666 3.526,667 3.829,668 4.025,669 4.277,670 4.522,671 4.543,672 4.727,673 4.828,674 4.905,675 4.905,676 6.771,677 0.648,678 426.55,679 3.526,680 5.056,681 5.878,682 6.744,683 7.583,684 8.456,685 9.305,686 10.182,687 11.037,688 11.917,689 11.5,695 1,699 5,704 8,705 5,709 5,711 18,726 1,731 52,733 20,735 33,737 55,738 20,739 13,746 4,747 4,758 1,761 13,762 7,766 2,769 1,771 2,778 1,781 22,782 9,784 10,785 1,790 6,794 1,795 3,802 1,805 1,806 1,812 4,839 1,840 4,842 1,848 30,851 1,854 7,856 1,859 1,870 5.8,873 2,874 1,877 14.75,878 9.283,879 6.556,880 3.046,881 2.772,882 1.374,883 0.987,884 6.391,885 10.181,886 3.807,887 4.388,888 4.822,889 5.374,890 5.919,891 6.074,892 6.503,893 6.845,894 7.116,895 7.289,896 1,897 43,898 11.323,900 5.029,901 7.842,902 21.174,904 17.443,905 2.342,906 70.25,910 258.964,911 110.797,912 87.052,914 55.313,916 6.046,917 104.751,918 314.277,919 87.052,921 17.73,922 43.951,923 186.325,924 49.912,925 2.328,926 211.88,928 258.964,929 191.803,930 55.313,931 6.046,933 261.292,934 44.313,935 11,937 62.19,938 43.357,939 89.974,941 258.964,942 142.365,943 110.797,945 6.046,946 258.964,947 30.656,948 77.219,950 139.24,951 258.964,952 142.365,953 110.797,955 0.573,956 0.314,957 0.17,958 0.098,959 21,960 8,961 0.127,962 7,964 1,965 4.196,966 264.737,968 24,969 141.207,973 1,974 20.492,975 9.356,976 5.65,978 142.365,979 13.582,980 21.566,984 2.802,987 512.126,988 44,991 -3.401,993 25.502,999 52.738,1000 58.86,1001 0.309,1002 0.619,1003 0.845,1004 0.899,1005 0.906,1006 0.906,1007 5.027,1008 1.503,1009 5.861,1010 4.065,1011 4.511,1012 5.075,1013 3.213,1014 6.645,1015 4.355,1016 6.23,1017 1.148,1018 7.398,1019 3.161,1020 4.111,1021 4.987,1022 0.325,1023 7.695,1024 3.819,1025 7.549,1026 1,1027 9.046,1028 2.708,1029 6.12,1030 7.305,1031 5.446,1032 10.673,1033 5.78,1034 8.91,1035 1,1036 10.764,1037 2.509,1038 6.553,1039 8.047,1040 0.268,1041 12.543,1042 6.049,1043 10.308,1044 1,1045 12.526,1046 2.136,1047 8.038,1048 9.869,1049 7.807,1050 15.086,1051 7.482,1052 11.732,1053 1,1054 14.319,1055 2.136,1056 8.848,1057 10.981,1058 0.188,1059 17.26,1060 8.124,1061 13.176,1062 0.641,1063 16.132,1064 2.136,1065 10.121,1066 12.607,1067 10.177,1068 19.676,1069 9.326,1070 3.23,1071 -0.117,1072 17.96,1073 1.524,1074 11.109,1075 13.901,1076 0.125,1077 21.969,1078 10.154,1079 2.988,1080 11.064,1081 19.8,1082 -0.362,1083 12.297,1084 15.442,1085 12.548,1086 24.351,1087 11.25,1088 2.684,1089 9.656,1090 21.648,1091 4.492,1092 13.369,1093 16.828,1094 0.082,1095 26.695,1096 12.172,1097 2.497,1098 8.629,1099 23.504,1100 4.003,1101 14.527,1102 18.334,1103 14.919,1104 29.072,1105 13.222,1106 2.234,1107 6.961,1108 25.365,1109 3.44,1110 15.638,1111 19.769,1112 0.054,1113 31.439,1114 14.192,1115 1.77,1116 6.596,1117 27.23,1118 3.417,1119 16.787,1120 21.261,1121 17.29,1122 33.82,1123 15.223,1124 1.697,1125 4.573,1126 29.1,1127 2.795,1128 17.919,1129 22.722,1130 0.035,1131 36.199,1132 16.219,1133 11312,1134 19574,1135 22.534,1136 35.137,1137 48.718,1138 51.313,1139 48.658,1140 48.881,1141 48.786,1142 64.318,1143 9.865,1144 135.704,1145 45.168,1146 5.702,1147 7.144,1148 6.547,1149 5.203,1150 5.23,1151 7.492,1152 6.545,1153 17.584,1154 4.8,1155 9.62,1156 1.476,1157 1.555,1158 1.474,1159 1.481,1160 1.478,1161 1.949,1162 0.299,1163 4.112,1164 1.369,1165 4.077,1166 4.081,1167 4.73,1168 4.057,1169 7.713,1170 3.952,1171 3.915,1172 3.941,1173 3.923,1174 3.8,1175 6.999,1176 3.792,1177 3.805,1178 3.846,1179 3.777,1180 3.658,1181 5.037,1182 3.67,1183 3.779,1184 3.816,1185 3.706,1186 3.609,1187 4.987,1188 3.608,1189 3.579,1190 3.617,1191 3.507,1192 3.404,1193 4.764,1194 3.41,1195 3.171,1196 3.234,1197 3.035,1198 3.025,1199 4.599,1200 3.006,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.056,1206 2.91,1207 2.948,1208 2.998,1209 2.865,1210 2.841,1211 3.996,1212 2.833,1213 0.142,1214 0.156,1215 0.204,1216 0.124,1217 0.098,1218 4.702,1219 0.136,1220 5.144,1221 0.099,1222 6.745,1223 0.335,1224 4.099,1225 0.087,1226 3.23,1227 4.492,1228 3.272,1229 11.064,1230 2.855,1231 1.941,1232 1.94,1233 1.992,1234 2.078,1235 1.351,1236 2.086,1237 1.844,1238 1.817,1239 1.926,1240 1.99,1241 1.206,1242 1.998,1243 1.752,1244 1.705,1245 1.915,1246 1.933,1247 1,1248 1.93,1249 1.682,1250 1.647,1251 1.77,1252 1.857,1253 0.931,1254 1.875,1255 1.504,1256 1.467,1257 1.613,1258 1.685,1259 0.825,1260 1.692,1261 1.153,1262 1.099,1263 1.513,1264 1.376,1265 0.692,1266 1.429,1267 1.153,1268 1.064,1269 1.319,1270 1.353,1271 0.522,1272 1.386,1273 0.933,1274 0.892,1275 1.148,1276 1.121,1277 0.255,1278 1.12,1279 4.205,1281 5.509,1283 7.008,1285 8.585,1287 10.203,1295 2.706,1297 5.417,1300 2.077,1305 33.674,1306 91.612,1307 183.51,1308 250.423,1309 266.423,1310 268.423,1311 268.423,1312 57.548,1313 7.409,1314 111.06,1315 119.44,1316 24,1317 12.458,1318 4.392,1319 3.585,1320 46.768,1321 118,1322 134,1323 0.186,1324 210.583,1325 359.54,1326 505.581,1327 15955,1329 20.813,1330 0.694,1331 0.573,1332 21.063,1333 17.201,1334 14.589,1335 0.442,1336 0.348,1337 9.649,1338 13.116,1339 9.323,1340 7.636,1341 15.443,1342 11.485,1343 13.301,1344 0.296,1345 0.202,1346 14.61,1347 9.078,1348 10.306,1349 0.187,1350 0.113,1351 11.137,1352 6.21,1353 8.636,1354 0.122,1355 0.062,1356 9.458,1357 4.401,1358 7.16,1359 0.079,1360 0.034,1361 7.943,1362 3.129,1363 0.289,1364 100.871,1365 0.211,1366 28.336,1367 0.515,1368 156,1369 513.938,1370 207.3,1371 509.375,1372 683.83,1373 474,1374 178,1375 468.511,1376 236.982,1377 500.251,1378 720.02,1379 468,1380 4.046}
{0 CHEMBL2030438,1 1.717,2 8.12,3 2.026,4 4.104,5 93.69,6 7.713,7 0.444,8 3.948,9 4.055,10 3.701,11 3.487,12 4.961,13 3.438,14 4.534,15 4.706,16 3.976,17 3.854,18 5.71,19 3.794,20 4.778,21 4.98,22 3.986,23 3.979,24 5.9,25 3.896,26 4.79,27 5.017,28 3.882,29 3.925,30 5.939,31 3.831,32 4.68,33 4.917,34 3.951,35 3.892,36 5.706,37 3.819,38 4.636,39 4.821,40 4.007,41 3.941,42 5.771,43 3.862,44 4.759,45 4.965,46 4.014,47 4.006,48 5.842,49 3.884,50 4.843,51 5.058,52 3.846,53 3.948,54 5.973,55 3.834,56 0.076,57 0.73,58 12.362,59 4.815,60 15.32,61 5.79,62 0.397,63 1.155,64 23.885,65 7.853,66 59.344,67 9.692,68 0.582,69 1.373,70 33.521,71 9.551,72 65.552,73 12.082,74 0.605,75 1.314,76 29.987,77 9.142,78 90.155,79 12.394,80 0.423,81 1.269,82 26.668,83 7.765,84 42.441,85 11.333,86 0.457,87 1.283,88 23.764,89 7.718,90 43.839,91 10.528,92 0.428,93 1.368,94 32.181,95 10.401,96 53.257,97 13.072,98 0.669,99 1.311,100 36.807,101 10.433,102 88.416,103 12.825,104 20,105 38,106 0.294,107 0.581,108 0.772,109 0.801,110 0.801,111 0.801,112 3.268,113 1.112,114 -3.22,115 -3.21,116 -3.08,119 36.2,120 2,125 5,127 1,142 4,145 1,146 2,147 1,149 1,172 2,174 3,175 5,183 2,186 3,187 7,198 3,199 4,211 2,212 7,220 3,223 4,224 1,232 1,236 3,237 7,245 1,249 1,250 5,258 2,262 2,263 3,271 2,275 853,276 16.524,277 16.524,278 16.524,279 16.524,280 16.524,281 14.848,282 16.557,283 9.815,284 17.29,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 10.686,291 22.371,292 4.689,293 14.561,294 3.837,295 2.167,296 1.053,297 0.883,298 0.883,299 0.883,300 3.946,303 1,304 1,305 1,306 425,307 3.536,311 246.441,318 1.094,319 33.944,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55,331 203,332 4.789,333 5.253,334 7.225,335 4.215,336 3.355,337 4.562,338 3.272,339 12.057,340 2.884,341 4.345,342 3.198,343 6.306,344 3.933,345 3,346 4.005,347 0.86,348 9.672,349 2.763,350 3.944,351 2.927,352 6.016,353 3.623,354 2.684,355 3.419,356 0.8,357 8.629,358 2.518,359 3.554,360 2.764,361 5.306,362 3.21,363 2.261,364 2.798,366 6.694,367 2.136,368 3.189,369 2.332,370 4.543,371 2.731,372 1.789,373 2.472,375 4.607,376 1.692,377 2.9,378 2.102,379 4.283,380 2.622,381 1.697,382 1.956,384 4.065,385 1.554,386 2.568,387 1.743,388 4.2,389 2.302,390 1.341,391 1.597,393 3.171,394 1.276,395 2.512,396 1.414,397 3.51,398 2.064,399 1.139,400 1.5,402 2.697,403 1.05,404 2.5,405 1.256,406 3.472,407 1.958,408 1,409 1.471,411 2.509,412 0.955,413 2.198,414 1.057,415 3.247,416 1.952,417 1,418 1.17,420 2.136,421 0.946,422 2,423 1,424 3.247,425 1.911,426 1,427 1,428 2.136,429 0.904,430 1.201,431 0.581,432 3,433 0.802,434 -0.129,435 -0.163,436 -0.4,437 -0.118,438 1,439 -0.213,440 2.6,441 0.49,442 -0.456,443 -0.557,445 -1.194,446 -0.43,447 0.917,448 -0.323,449 2.485,450 0.344,451 -0.595,452 -0.727,454 -1.42,455 -0.555,456 0.681,457 -0.36,458 2.071,460 -1,461 -1,463 -2,464 -0.846,465 11.933,466 0.477,467 0.718,468 0.029,469 32.25,470 1.29,471 15.5,472 0.62,473 16.75,474 0.67,475 21.185,476 0.847,477 28.267,478 0.601,479 23.597,480 0.944,481 5.925,482 0.237,483 6.029,484 0.241,485 0.14,486 0.07,487 0.243,493 0.616,494 1.585,495 0.841,496 1.371,497 0.658,498 1.087,499 1.003,500 1.187,501 1.07,502 1.096,503 0.664,504 0.943,505 1.276,506 1.072,507 1.307,508 1.138,509 1.232,510 1,511 1.174,512 1.01,513 0.919,514 0.85,515 1.512,516 0.95,517 0.799,518 0.959,519 0.699,520 0.769,521 0.765,522 0.776,523 0.85,524 1.133,525 0.965,526 1.012,527 0.779,528 1.09,529 0.804,530 1.19,531 1.246,532 1.297,533 0.762,534 1.14,535 1.514,536 0.934,537 1.414,538 1.183,539 1.687,540 1.11,541 6,542 0.049,543 2.889,544 1.313,545 1.076,546 1.021,547 0.734,548 0.524,549 0.312,550 0.174,551 6297,552 18017,553 2.028,554 46.8,556 15,558 1,561 6,564 1.689,565 1.887,566 3.04,567 -0.672,568 1,569 1,573 80.716,574 1.717,575 3.388,576 4.501,577 4.671,578 4.671,579 4.671,580 2.263,581 3.524,582 4.615,583 3.21,584 962.956,585 8.03,586 11755.8,588 1,590 1,591 261.066,592 1.571,593 4.56,594 0.222,595 0.01,596 0.076,597 0.035,598 0.032,599 0.028,600 0.02,601 0.015,602 0.01,603 0.01,604 0.456,605 0.33,606 1,607 1.166,608 118.577,609 0.073,610 -0.308,611 0.219,612 -0.127,613 -0.114,614 -0.029,615 0.033,616 -0.052,617 0.01,618 0.002,619 0.178,620 0.038,621 -0.151,622 0.003,623 -0.175,624 -0.062,625 -0.076,626 -0.037,627 -0.09,628 -0.037,629 -0.031,630 0.044,631 -0.117,632 -0.006,633 0.018,634 0.078,635 0.181,636 0.134,637 -0.016,638 0.184,639 0.041,640 0.023,641 -0.06,642 -0.047,643 0.001,644 -0.142,645 0.056,646 -0.098,647 -0.088,648 -0.154,649 0.087,650 -0.131,651 -0.249,652 0.061,653 -0.281,654 -0.127,655 -0.188,656 -0.151,657 4.168,658 5.325,659 0.72,660 19.974,661 1.009,662 1.134,663 1.991,664 3.963,665 0.657,666 3.332,667 3.664,668 3.871,669 4.06,670 4.317,671 4.382,672 4.595,673 4.691,674 4.727,675 4.654,676 5.466,677 0.62,678 362.5,679 3.332,680 4.875,681 5.707,682 6.581,683 7.435,684 8.314,685 9.178,686 10.06,687 10.929,688 11.813,689 8.5,695 1,699 3,704 5,705 3,709 4,711 12,726 1,731 47,733 14,735 27,737 49,738 17,739 9,746 3,747 3,752 2,758 1,761 9,762 8,766 2,769 1,771 2,777 1,778 1,781 22,782 7,784 8,785 1,790 4,794 1,795 3,805 1,806 1,812 3,839 1,840 3,842 1,844 2,848 25,851 1,854 5,856 1,858 1,859 1,870 6.4,873 2,874 1,877 13.25,878 8.967,879 5.431,880 2.865,881 2.239,882 1.324,883 0.954,884 5.431,885 9.153,886 3.584,887 4.174,888 4.61,889 5.118,890 5.677,891 5.936,892 6.399,893 6.745,894 6.993,895 7.153,896 0.667,897 38,898 9.466,900 4.203,901 7.857,902 17.771,904 14.7,905 2.357,906 58.917,910 258.964,911 95.114,912 53.481,914 55.313,916 6.046,917 89.068,918 314.277,919 53.481,920 17.65,921 14.296,922 43.951,923 117.441,924 20.013,925 2.328,926 247.193,928 258.964,929 142.549,930 55.313,931 6.046,933 190.666,934 114.94,935 11,937 46.507,938 43.357,939 56.403,941 258.964,942 108.794,943 95.114,945 6.046,946 258.964,947 24.465,948 67.727,950 105.669,951 258.964,952 108.794,953 95.114,955 0.586,956 0.332,957 0.158,958 0.091,959 18,960 8,961 0.102,962 5,964 1,965 3.589,966 206.704,968 18,969 106.096,973 1,974 17.937,975 7.569,976 4.403,978 108.794,979 8.929,980 13.35,984 2.276,987 462.872,988 35,991 -3.252,993 24.651,999 47.418,1000 53.278,1001 0.309,1002 0.61,1003 0.81,1004 0.841,1005 0.841,1006 0.841,1007 4.828,1008 1.139,1009 5.727,1010 3.171,1011 4.344,1012 4.86,1013 3.213,1014 6.561,1015 4.175,1016 6.051,1017 1,1018 7.313,1019 2.697,1020 4.111,1021 4.934,1022 0.325,1023 7.763,1024 3.793,1025 7.394,1026 1,1027 9.017,1028 2.509,1029 6.014,1030 7.132,1031 5.446,1032 10.759,1033 5.633,1034 8.782,1035 1,1036 10.795,1037 2.136,1038 6.594,1039 8.02,1040 0.268,1041 12.773,1042 6.03,1043 10.21,1044 -0.129,1045 12.621,1046 2.136,1047 8.03,1048 9.774,1049 7.807,1050 15.369,1051 7.398,1052 11.665,1053 -0.456,1054 14.479,1055 -0.4,1056 8.955,1057 10.995,1058 0.188,1059 17.67,1060 8.136,1061 13.14,1062 -0.595,1063 16.36,1064 -1.194,1065 10.22,1066 12.59,1067 10.177,1068 20.163,1069 9.311,1070 3.355,1071 -1,1072 18.258,1073 -1.42,1074 11.293,1075 13.958,1076 0.125,1077 22.57,1078 10.206,1079 3,1080 12.057,1081 20.17,1082 -2,1083 12.499,1084 15.493,1085 12.548,1086 25.042,1087 11.298,1088 2.684,1089 9.672,1090 22.092,1091 4.562,1092 13.636,1093 16.93,1094 0.082,1095 27.491,1096 12.266,1097 2.261,1098 8.629,1099 24.022,1100 4.005,1101 14.826,1102 18.442,1103 14.919,1104 29.964,1105 13.324,1106 1.789,1107 6.694,1108 25.959,1109 3.419,1110 15.991,1111 19.913,1112 0.054,1113 32.432,1114 14.328,1115 1.697,1116 4.607,1117 27.902,1118 2.798,1119 17.179,1120 21.419,1121 17.29,1122 34.909,1123 15.373,1124 1.341,1125 4.065,1126 29.849,1127 2.472,1128 18.359,1129 22.907,1130 0.035,1131 37.387,1132 16.395,1133 6237,1134 10681,1135 17.682,1136 30.887,1137 40.478,1138 42.808,1139 41.152,1140 40.593,1141 40.532,1142 51.898,1143 9.865,1144 116.745,1145 37.359,1146 5.789,1147 7.253,1148 7.026,1149 5.319,1150 5.355,1151 7.562,1152 6.545,1153 18.978,1154 4.829,1155 12.463,1156 1.499,1157 1.585,1158 1.524,1159 1.503,1160 1.501,1161 1.922,1162 0.365,1163 4.324,1164 1.384,1165 4.077,1166 4.077,1167 4.735,1168 4.066,1169 7.713,1170 3.955,1171 3.912,1172 3.92,1173 3.923,1174 3.801,1175 6.999,1176 3.79,1177 3.785,1178 3.835,1179 3.706,1180 3.622,1181 5.034,1182 3.63,1183 3.6,1184 3.65,1185 3.51,1186 3.422,1187 4.764,1188 3.431,1189 3.286,1190 3.337,1191 3.147,1192 3.117,1193 4.599,1194 3.076,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.113,1200 2.91,1201 2.948,1202 3.009,1203 2.864,1204 2.836,1205 3.991,1206 2.829,1207 2.874,1208 2.998,1209 2.798,1210 2.618,1211 3.851,1212 2.598,1213 0.177,1214 0.195,1215 0.268,1216 0.156,1217 0.124,1218 4.789,1219 0.169,1220 5.253,1221 0.121,1222 7.225,1223 0.447,1224 4.215,1225 0.107,1226 3.355,1227 4.562,1228 3.272,1229 12.057,1230 2.884,1231 1.942,1232 1.946,1233 1.992,1234 2.077,1235 1.351,1236 2.088,1237 1.832,1238 1.813,1239 1.917,1240 1.942,1241 1.205,1242 1.986,1243 1.731,1244 1.683,1245 1.899,1246 1.933,1247 0.981,1248 1.93,1249 1.551,1250 1.5,1251 1.743,1252 1.743,1253 0.894,1254 1.748,1255 1.227,1256 1.185,1257 1.513,1258 1.44,1259 0.825,1260 1.481,1261 1.153,1262 1.064,1263 1.417,1264 1.376,1265 0.554,1266 1.429,1267 0.934,1268 0.888,1269 1.325,1270 1.239,1271 0.469,1272 1.308,1273 0.929,1274 0.804,1275 1.147,1276 1.121,1277 0.252,1278 1.12,1279 4.007,1281 5.333,1283 6.855,1285 8.458,1287 10.099,1289 3.359,1295 2.583,1297 5.385,1299 -0.451,1300 2.086,1305 29.158,1306 80.716,1307 159.214,1308 211.556,1309 219.556,1310 219.556,1311 219.556,1312 51.449,1313 6.914,1314 85.28,1315 93.66,1316 18,1317 12.349,1318 3.907,1319 3.17,1320 41.307,1321 83,1322 72,1323 0.251,1324 184.393,1325 316.82,1326 441.678,1327 7786,1329 17.864,1330 0.715,1331 0.61,1332 18.114,1333 15.238,1334 11.954,1335 0.443,1336 0.371,1337 8.301,1338 10.565,1339 7.905,1340 6.53,1341 12.775,1342 10.007,1343 11.237,1344 0.296,1345 0.231,1346 12.622,1347 8.769,1348 8.888,1349 0.189,1350 0.132,1351 10.077,1352 6.197,1353 6.661,1354 0.117,1355 0.059,1356 7.234,1357 3.387,1358 5.551,1359 0.075,1360 0.032,1361 6.04,1362 2.402,1363 0.38,1364 83.783,1365 0.238,1366 23.823,1367 0.733,1368 130,1369 416.647,1370 181.533,1371 414.608,1372 555.64,1373 384,1374 150,1375 376.277,1376 206.427,1377 408.835,1378 592,1379 382,1380 4.435}
{0 CHEMBL2030439,1 1.837,2 10.276,3 3.082,4 9.497,5 104.518,6 8.635,7 0.563,8 3.997,9 4.088,10 3.824,11 3.58,12 5.118,13 3.555,14 4.55,15 4.69,16 4.114,17 3.938,18 5.864,19 3.912,20 4.791,21 4.978,22 4.167,23 4.053,24 6.012,25 3.999,26 4.753,27 4.943,28 4.09,29 4.005,30 6.019,31 3.939,32 4.741,33 4.943,34 4.132,35 3.978,36 5.895,37 3.935,38 4.702,39 4.873,40 4.183,41 4.008,42 6.123,43 3.961,44 4.776,45 4.963,46 4.142,47 4.071,48 5.962,49 3.985,50 4.858,51 5.053,52 4.058,53 4.03,54 6.097,55 3.956,56 0.126,57 0.81,58 9.861,59 4.857,60 20.361,61 5.036,62 0.478,63 1.299,64 19.19,65 7.823,66 58.373,67 8.323,68 0.722,69 1.58,70 28.264,71 9.775,72 73.874,73 10.712,74 0.62,75 1.477,76 27.396,77 9.856,78 79.283,79 11.161,80 0.637,81 1.432,82 27.027,83 8.771,84 80.108,85 10.553,86 0.793,87 1.454,88 22.066,89 8.347,90 112.607,91 9.914,92 0.603,93 1.536,94 29.909,95 10.678,96 72.634,97 11.841,98 0.825,99 1.496,100 35.501,101 11.459,102 106.443,103 12.538,104 10,105 45,106 0.309,107 0.6,108 0.756,109 0.826,110 0.826,111 0.826,112 3.409,113 1.009,114 -4.08,115 -4.02,116 -3.81,119 41.7,125 5,142 8,144 2,145 1,146 2,147 1,149 1,172 4,174 3,175 5,183 3,186 3,187 7,195 2,198 3,199 8,211 2,212 7,220 3,223 4,224 3,232 3,236 3,237 7,245 1,249 1,250 9,258 2,262 2,263 5,271 4,275 1406,276 19.54,277 19.54,278 19.54,279 19.54,280 19.54,281 17.142,282 18.185,283 11.655,284 20.312,285 15.848,286 15.848,287 15.848,288 15.848,289 15.848,290 12.203,291 23.033,292 5.605,293 17.149,294 3.748,295 2.01,296 1.083,297 0.667,298 0.667,299 0.667,300 4.104,304 1,305 1,306 647,307 3.24,311 390.357,318 1.458,319 46.073,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 298,332 4.857,333 5.262,334 7.308,335 4.26,336 3.395,337 4.707,338 3.272,339 12.51,340 2.918,341 4.348,342 3.205,343 6.307,344 3.938,345 3.003,346 4.01,347 0.86,348 9.679,349 2.795,350 3.946,351 3.006,352 6.016,353 3.623,354 2.684,355 3.436,356 0.8,357 8.629,358 2.519,359 3.838,360 2.843,361 5.37,362 3.367,363 2.421,364 3.379,366 6.864,367 2.271,368 3.553,369 2.754,370 5.089,371 3.187,372 2.242,373 2.801,375 6.213,376 2.105,377 3.199,378 2.339,379 4.688,380 2.738,381 1.798,382 2.483,384 4.806,385 1.695,386 3.052,387 2.128,388 4.436,389 2.625,390 1.697,391 2.254,393 4.352,394 1.56,395 2.895,396 1.754,397 4.283,398 2.495,399 1.545,400 1.952,402 4.065,403 1.449,404 2.564,405 1.422,406 3.512,407 2.067,408 1.144,409 1.593,411 2.705,412 1.053,413 2.5,414 1.256,415 3.472,416 2,417 1,418 1.5,420 2.509,421 1,422 2.5,423 1.085,424 3.414,425 1.958,426 1,427 1.5,428 2.275,429 0.955,430 2.198,431 1.035,432 3.247,433 1.952,434 1,435 1.171,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.911,442 1,443 1,445 2.136,446 0.904,447 1.204,448 1,449 3.205,450 0.824,451 -0.086,452 -0.104,454 -0.242,455 -0.075,456 1.119,457 0.28,458 2.663,459 0.651,460 -0.252,461 -0.327,463 -0.61,464 -0.222,465 13.719,466 0.473,467 0.748,468 0.026,469 41,470 1.414,471 21.5,472 0.741,473 19.5,474 0.672,475 21.522,476 0.742,477 31.281,478 0.652,479 32.376,480 1.116,481 8.048,482 0.278,483 5.962,484 0.206,485 0.069,486 0.061,487 0.248,491 1,493 0.58,494 1.248,495 0.759,496 1.231,497 0.595,498 0.954,499 0.912,500 1.069,501 0.988,502 1.041,503 0.623,504 0.944,505 1.142,506 0.954,507 1.089,508 0.94,509 1.041,510 0.933,511 0.937,512 1.029,513 1.097,514 1.09,515 1.019,516 1.045,517 0.869,518 0.838,519 0.786,520 0.846,521 0.988,522 0.831,523 0.641,524 0.981,525 0.85,526 0.936,527 0.568,528 0.996,529 0.834,530 1.002,531 1.278,532 1.22,533 0.791,534 1.093,535 1.122,536 0.834,537 1.287,538 1.146,539 1.231,540 1.036,541 6.5,542 0.111,543 3.333,544 1.813,545 1.338,546 1.292,547 0.692,548 0.58,549 0.32,550 0.155,551 10308,552 33253,553 2.103,554 39.6,556 18,558 1,564 1.727,565 1.989,566 3.315,567 -0.683,568 1,569 1,573 88.174,574 1.837,575 3.574,576 4.502,577 4.918,578 4.918,579 4.918,580 2.725,581 3.634,582 4.829,583 3.473,584 1410.17,585 8.45,586 18927.7,588 1,590 1,591 268.078,592 1.428,593 4.792,594 0.203,595 0.006,596 0.074,597 0.04,598 0.032,599 0.03,600 0.015,601 0.013,602 0.008,603 0.005,604 0.427,605 0.33,606 1,607 0.506,608 145.568,609 0.03,610 -0.199,611 0.185,612 -0.107,613 -0.085,614 -0.014,615 -0.03,616 -0.078,617 -0.047,618 -0.034,619 0.112,620 -0.031,621 -0.155,622 0.045,623 -0.075,624 0.055,625 -0.085,626 0.01,627 -0.056,628 -0.08,629 -0.08,630 -0.082,631 -0.02,632 -0.077,633 -0.047,634 0.008,635 0.145,636 0.078,637 -0.116,638 0.127,639 0.233,640 0.017,641 0.038,642 -0.008,643 0.279,644 -0.08,645 -0.021,646 -0.025,647 -0.136,648 -0.112,649 0.006,650 -0.103,651 -0.111,652 0.006,653 -0.158,654 -0.081,655 -0.099,656 -0.037,657 4.614,658 5.816,659 0.828,660 25.743,661 1.022,662 1.129,663 2.846,664 8.1,665 0.689,666 3.497,667 3.829,668 4.06,669 4.304,670 4.554,671 4.625,672 4.762,673 4.875,674 4.977,675 5.03,676 6.241,677 0.667,678 414.5,679 3.497,680 5.043,681 5.883,682 6.763,683 7.621,684 8.507,685 9.373,686 10.263,687 11.133,688 12.025,689 8.3,695 1,699 3,704 9,705 3,709 6,711 18,726 1,730 1,731 48,733 20,734 1,735 32,737 51,738 20,739 15,740 2,741 4,746 4,747 4,761 15,762 5,766 2,769 1,771 2,778 1,779 1,781 19,782 8,784 9,785 1,790 4,794 1,795 3,805 1,806 1,812 4,839 1,840 4,842 1,846 1,848 29,851 1,854 5,856 1,859 1,869 1,870 6.3,873 2,874 1,877 14.583,878 8.61,879 6.264,880 2.776,881 2.852,882 1.385,883 1.004,884 5.636,885 10.253,886 3.784,887 4.401,888 4.903,889 5.457,890 6.006,891 6.25,892 6.614,893 6.926,894 7.26,895 7.552,896 0.857,897 45,898 11.032,900 5.068,901 8.014,902 20.222,904 16.845,905 2.514,906 72.917,909 1,910 223.651,911 126.04,912 53.481,914 55.313,915 14.96,916 6.046,917 119.994,918 278.964,919 68.441,921 14.296,922 81.856,923 117.441,924 30.685,925 17.288,926 211.88,928 223.651,929 173.475,930 70.273,931 6.046,933 240.939,934 44.313,935 11,937 28.857,938 91.934,939 56.403,941 238.611,942 108.794,943 126.04,945 6.046,946 223.651,947 35.137,948 87.982,950 120.63,951 223.651,952 123.754,953 126.04,955 0.583,956 0.329,957 0.173,958 0.099,959 22,960 9,961 0.098,962 5,964 1,965 4.009,966 260.147,968 24,969 130.881,973 1,974 19.596,975 8.34,976 4.652,978 123.754,979 13.474,980 13.317,984 1.463,987 473.445,988 43,991 -3.697,993 25.632,999 49.047,1000 54.203,1001 0.329,1002 0.64,1003 0.806,1004 0.881,1005 0.881,1006 0.881,1007 5.021,1008 1.545,1009 5.889,1010 4.352,1011 4.511,1012 5.088,1013 3.213,1014 6.718,1015 4.354,1016 6.246,1017 1.144,1018 7.462,1019 4.065,1020 4.205,1021 5.075,1022 0.325,1023 7.867,1024 3.883,1025 7.583,1026 1,1027 9.152,1028 2.705,1029 6.163,1030 7.365,1031 5.446,1032 10.902,1033 5.812,1034 8.963,1035 1,1036 10.916,1037 2.509,1038 6.686,1039 8.187,1040 0.268,1041 12.913,1042 6.132,1043 10.383,1044 1,1045 12.732,1046 2.275,1047 8.152,1048 9.999,1049 7.807,1050 15.548,1051 7.559,1052 11.831,1053 1,1054 14.583,1055 2.136,1056 9.046,1057 11.196,1058 0.188,1059 17.877,1060 8.248,1061 13.301,1062 -0.086,1063 16.462,1064 2.136,1065 10.328,1066 12.831,1067 10.177,1068 20.412,1069 9.459,1070 3.395,1071 -0.252,1072 18.361,1073 -0.242,1074 11.391,1075 14.205,1076 0.125,1077 22.858,1078 10.329,1079 3.003,1080 12.51,1081 20.276,1082 -0.61,1083 12.609,1084 15.773,1085 12.548,1086 25.372,1087 11.444,1088 2.684,1089 9.679,1090 22.204,1091 4.707,1092 13.748,1093 17.232,1094 0.082,1095 27.863,1096 12.404,1097 2.421,1098 8.629,1099 24.142,1100 4.01,1101 14.948,1102 18.776,1103 14.919,1104 30.378,1105 13.478,1106 2.242,1107 6.864,1108 26.088,1109 3.436,1110 16.121,1111 20.276,1112 0.054,1113 32.887,1114 14.482,1115 1.798,1116 6.213,1117 28.042,1118 3.379,1119 17.32,1120 21.814,1121 17.29,1122 35.405,1123 15.541,1124 1.697,1125 4.806,1126 30.001,1127 2.801,1128 18.511,1129 23.335,1130 0.035,1131 37.923,1132 16.568,1133 9799,1134 17781,1135 21.553,1136 33.063,1137 47.963,1138 50.543,1139 48.439,1140 48.028,1141 47.858,1142 63.571,1143 9.865,1144 137.757,1145 44.34,1146 5.857,1147 7.262,1148 7.11,1149 5.374,1150 5.395,1151 7.707,1152 6.545,1153 19.867,1154 4.918,1155 11.868,1156 1.499,1157 1.579,1158 1.514,1159 1.501,1160 1.496,1161 1.987,1162 0.308,1163 4.305,1164 1.386,1165 4.111,1166 4.1,1167 4.743,1168 4.114,1169 8.201,1170 4.017,1171 3.938,1172 3.968,1173 3.923,1174 3.814,1175 7.714,1176 3.826,1177 3.79,1178 3.839,1179 3.73,1180 3.657,1181 6.999,1182 3.66,1183 3.696,1184 3.721,1185 3.702,1186 3.564,1187 5.034,1188 3.538,1189 3.531,1190 3.534,1191 3.503,1192 3.377,1193 4.764,1194 3.366,1195 3.111,1196 3.206,1197 2.868,1198 2.941,1199 4.6,1200 2.91,1201 2.951,1202 2.999,1203 2.866,1204 2.848,1205 4.582,1206 2.843,1207 2.901,1208 2.958,1209 2.82,1210 2.735,1211 3.995,1212 2.715,1213 0.152,1214 0.164,1215 0.228,1216 0.133,1217 0.106,1218 4.857,1219 0.147,1220 5.262,1221 0.102,1222 7.308,1223 0.391,1224 4.26,1225 0.091,1226 3.395,1227 4.707,1228 3.272,1229 12.51,1230 2.918,1231 1.989,1232 2.004,1233 1.996,1234 2.083,1235 1.281,1236 2.099,1237 1.877,1238 1.841,1239 1.961,1240 2.002,1241 1.199,1242 2.01,1243 1.749,1244 1.705,1245 1.916,1246 1.933,1247 0.983,1248 1.93,1249 1.621,1250 1.59,1251 1.756,1252 1.792,1253 0.914,1254 1.8,1255 1.397,1256 1.4,1257 1.513,1258 1.555,1259 0.825,1260 1.579,1261 1.153,1262 1.064,1263 1.345,1264 1.376,1265 0.593,1266 1.429,1267 0.939,1268 0.898,1269 1.181,1270 1.123,1271 0.252,1272 1.12,1273 0.886,1274 0.821,1275 1.147,1276 1.067,1277 0.218,1278 1.107,1279 4.174,1281 5.501,1283 7.027,1285 8.636,1287 10.286,1291 13.163,1295 2.141,1297 5.39,1300 2.033,1305 32.015,1306 88.174,1307 171.575,1308 216.078,1309 236.078,1310 236.078,1311 236.078,1312 61.736,1313 7.401,1314 85.28,1315 93.66,1316 24,1317 12.557,1318 4.392,1319 3.585,1320 44.344,1321 106,1322 121,1323 0.199,1324 198.192,1325 343.61,1326 475.349,1327 15017,1328 2.1,1329 20.269,1330 0.699,1331 0.564,1332 19.649,1333 16.348,1334 14.01,1335 0.438,1336 0.336,1337 9.095,1338 12.57,1339 8.808,1340 7.207,1341 14.437,1342 10.768,1343 13.039,1344 0.29,1345 0.19,1346 13.718,1347 8.558,1348 10.446,1349 0.183,1350 0.108,1351 11.14,1352 6.172,1353 8.634,1354 0.118,1355 0.059,1356 9.508,1357 4.296,1358 7.043,1359 0.075,1360 0.032,1361 7.728,1362 2.982,1363 0.307,1364 96.983,1365 0.215,1366 27.217,1367 0.568,1368 154,1369 560.759,1370 209.363,1371 528.92,1372 704.02,1373 490,1374 179,1375 477.953,1376 241.678,1377 507.655,1378 739.34,1379 476,1380 5.119}
{0 CHEMBL2030441,1 1.705,2 9.444,3 2.521,4 6.356,5 103.036,6 7.888,7 0.533,8 4.007,9 4.11,10 3.776,11 3.565,12 5.018,13 3.523,14 4.591,15 4.757,16 4.029,17 3.943,18 5.788,19 3.906,20 4.8,21 4.991,22 4.009,23 4.062,24 5.88,25 3.993,26 4.788,27 5.016,28 3.971,29 4.057,30 5.819,31 3.95,32 4.755,33 4.983,34 3.981,35 3.996,36 5.759,37 3.906,38 4.697,39 4.897,40 4.057,41 3.999,42 5.791,43 3.91,44 4.749,45 4.94,46 4.054,47 4.065,48 5.806,49 3.951,50 4.889,51 5.091,52 3.947,53 4.041,54 6.001,55 3.918,56 0.076,57 0.77,58 12.288,59 4.975,60 14.459,61 5.83,62 0.43,63 1.251,64 25.074,65 8.165,66 55.683,67 9.83,68 0.558,69 1.442,70 27.219,71 8.989,72 63.176,73 11.775,74 0.371,75 1.462,76 27.7,77 9.982,78 45.173,79 13.746,80 0.39,81 1.392,82 27.626,83 8.958,84 41.342,85 12.532,86 0.457,87 1.348,88 25.005,89 9.129,90 39.995,91 11.899,92 0.331,93 1.407,94 31.764,95 10.922,96 40.176,97 12.944,98 0.582,99 1.419,100 37.013,101 12.116,102 85.668,103 14.176,104 19,105 44,106 0.286,107 0.603,108 0.781,109 0.821,110 0.828,111 0.828,112 3.341,113 1.089,114 -3.35,115 -3.33,116 -3.19,119 38.8,124 2,125 5,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 8,183 5,186 1,187 6,195 4,198 3,199 8,207 2,211 1,212 5,220 2,223 6,224 4,232 2,236 1,237 6,245 1,249 1,250 7,262 2,263 4,275 1127,276 17.842,277 17.842,278 17.842,279 17.842,280 17.842,281 15.675,282 18.555,283 10.353,284 18.549,285 14.869,286 14.869,287 14.869,288 14.869,289 14.869,290 11.452,291 23.854,292 4.99,293 16.033,294 3.91,295 2.023,296 0.962,297 0.725,298 0.684,299 0.684,300 4.035,303 1,304 1,305 1,306 553,307 3.317,310 63.101,311 234.914,314 106.99,318 1.391,319 30.227,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 255,332 4.649,333 5.068,334 6.516,335 4.09,336 3.167,337 4.51,338 3.272,339 10.286,340 3.017,341 4.555,342 3.195,343 6.464,344 4.009,345 3.09,346 4.443,347 0.86,348 10.155,349 2.802,350 4.289,351 3.089,352 6.266,353 3.847,354 2.927,355 3.94,356 0.8,357 9.518,358 2.61,359 3.87,360 2.795,361 6.001,362 3.569,363 2.625,364 3.263,366 8.571,367 2.477,368 3.52,369 2.561,370 5.214,371 3.152,372 2.198,373 2.771,375 6.554,376 2.083,377 3.217,378 2.287,379 4.935,380 2.752,381 1.801,382 2.512,384 5.373,385 1.711,386 2.994,387 1.943,388 4.437,389 2.639,390 1.732,391 2.208,393 4.407,394 1.566,395 2.886,396 1.783,397 4.206,398 2.466,399 1.491,400 1.952,402 3.824,403 1.448,404 2.636,405 1.501,406 4.101,407 2.144,408 1.204,409 1.695,411 3.361,412 1.128,413 2.2,414 1.394,415 3.491,416 1.952,417 1.033,418 1.174,420 2.591,421 0.946,422 2.089,423 1.256,424 3.247,425 1.929,426 1,427 1,428 2.136,429 0.918,430 2,431 1.15,432 3.209,433 1.609,434 0.625,435 0.903,436 1.474,437 0.614,438 1.203,439 0.656,440 3.134,441 0.818,442 -0.1,443 -0.122,445 -0.313,446 -0.089,447 1,448 0.1,449 2.726,450 0.578,451 -0.384,452 -0.493,454 -0.996,455 -0.368,456 0.977,457 -0.294,458 2.534,459 0.408,460 -0.527,461 -0.597,463 -1.308,464 -0.489,465 12.933,466 0.479,467 0.87,468 0.032,469 36,470 1.333,471 17.5,472 0.648,473 18.5,474 0.685,475 22.012,476 0.815,477 29.667,478 0.605,479 27.197,480 1.007,481 6.848,482 0.254,483 6.04,484 0.224,485 0.129,486 0.064,487 0.294,493 0.629,494 1.535,495 0.815,496 1.3,497 0.654,498 1.023,499 1.066,500 1.071,501 1.142,502 1.047,503 0.594,504 0.85,505 1.365,506 1.019,507 0.96,508 0.819,509 1.397,510 0.985,511 0.535,512 1.076,513 0.823,514 0.963,515 0.448,516 1.027,517 0.783,518 1.032,519 0.783,520 0.883,521 0.783,522 0.922,523 0.652,524 1.012,525 0.826,526 0.935,527 0.642,528 0.985,529 0.916,530 1.137,531 1.365,532 1.337,533 0.848,534 1.127,535 1.46,536 1.03,537 1.342,538 1.248,539 1.863,540 1.173,541 7,542 0.162,543 2.889,544 1.979,545 1.293,546 1.139,547 0.862,548 0.49,549 0.405,550 0.295,551 8369,552 23370,553 2.088,554 44.9,556 21,557 1,564 1.707,565 1.94,566 3.196,567 -0.696,568 1,569 1,573 83.548,574 1.705,575 3.592,576 4.653,577 4.89,578 4.931,579 4.931,580 2.621,581 4.357,582 4.726,583 3.366,584 1181.42,585 8.241,586 14990.5,588 1,590 1,591 275.121,592 1.596,593 4.673,594 0.233,595 0.011,596 0.066,597 0.048,598 0.033,599 0.03,600 0.022,601 0.013,602 0.012,603 0.012,604 0.48,605 0.33,606 1,607 0.936,608 131.851,609 0.07,610 -0.31,611 0.215,612 -0.125,613 -0.128,614 -0.022,615 -0.01,616 0.063,617 -0.082,618 0.013,619 0.231,620 0.099,621 -0.256,622 0.012,623 -0.153,624 0.051,625 -0.24,626 -0.064,627 0.093,628 -0.046,629 0.018,630 -0.042,631 0.103,632 -0.041,633 -0.008,634 -0.011,635 0.085,636 0.029,637 -0.052,638 0.047,639 0.19,640 0.057,641 0.089,642 0.027,643 0.112,644 -0.022,645 -0.053,646 -0.045,647 -0.148,648 -0.151,649 0.032,650 -0.114,651 -0.202,652 -0.082,653 -0.219,654 -0.169,655 -0.239,656 -0.186,657 4.108,658 4.817,659 0.778,660 23.454,661 1.009,662 1.128,663 2.117,664 4.481,665 0.671,666 3.434,667 3.807,668 4.025,669 4.331,670 4.554,671 4.691,672 4.905,673 5.03,674 5.118,675 5.209,676 5.858,677 0.636,678 386.52,679 3.434,680 5.004,681 5.849,682 6.751,683 7.614,684 8.519,685 9.391,686 10.296,687 11.174,688 12.079,689 8.2,695 1,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,726 1,731 49,733 18,734 1,735 30,737 52,738 19,739 12,740 3,741 3,746 4,747 5,761 12,762 7,766 2,769 1,771 2,777 1,778 1,781 22,782 6,784 8,785 1,790 4,794 0.75,795 3,806 1,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 27,851 1,854 5,856 1,859 1,870 6.1,873 2,874 1,877 13.917,878 9.467,879 5.653,880 2.794,881 3.259,882 1.431,883 1.006,884 4.829,885 10.813,886 3.714,887 4.391,888 4.901,889 5.552,890 6.094,891 6.51,892 7.027,893 7.474,894 7.782,895 8.187,896 1,897 41,898 10.169,900 4.541,901 7.793,902 19.291,904 16.293,905 2.293,906 61.917,909 1,910 258.964,911 107.672,912 38.594,914 55.313,916 6.046,917 101.627,918 314.277,919 38.594,920 15.587,921 14.296,922 62.475,923 88.884,924 15.867,925 16.243,926 247.193,928 258.964,929 140.221,930 55.313,931 6.046,933 261.292,934 44.313,935 11,937 18.952,938 85.37,939 39.617,941 258.964,942 93.907,943 107.672,945 6.046,946 258.964,947 29.611,948 77.039,950 88.884,951 258.964,952 93.907,953 107.672,955 0.596,956 0.319,957 0.176,958 0.096,959 23,960 10,961 0.077,962 4,963 1,964 1.095,965 3.806,966 239.844,967 0.095,968 21,969 122.382,973 1,974 18.268,975 7.137,976 4.095,977 2.222,978 92.008,979 11.877,980 9.271,984 2.675,985 2.055,987 460.544,988 40,991 -3.192,993 23.634,999 49.418,1000 55.278,1001 0.304,1002 0.64,1003 0.829,1004 0.871,1005 0.878,1006 0.878,1007 4.977,1008 1.491,1009 5.883,1010 4.407,1011 4.489,1012 5.078,1013 3.213,1014 6.727,1015 4.35,1016 6.232,1017 1.204,1018 7.465,1019 3.824,1020 4.29,1021 5.231,1022 0.325,1023 7.818,1024 4.035,1025 7.593,1026 1.033,1027 9.147,1028 3.361,1029 6.168,1030 7.435,1031 5.446,1032 10.803,1033 5.882,1034 8.991,1035 1,1036 10.887,1037 2.591,1038 6.723,1039 8.357,1040 0.268,1041 12.631,1042 6.318,1043 10.42,1044 0.625,1045 12.662,1046 2.136,1047 8.137,1048 10.115,1049 7.807,1050 15.178,1051 7.698,1052 11.869,1053 -0.1,1054 14.459,1055 1.474,1056 9.012,1057 11.356,1058 0.188,1059 17.288,1060 8.469,1061 13.334,1062 -0.384,1063 16.271,1064 -0.313,1065 10.25,1066 12.951,1067 10.177,1068 19.683,1069 9.66,1070 3.167,1071 -0.527,1072 18.093,1073 -0.996,1074 11.266,1075 14.329,1076 0.125,1077 21.907,1078 10.588,1079 3.09,1080 10.286,1081 19.924,1082 -1.308,1083 12.434,1084 15.861,1085 12.548,1086 24.246,1087 11.703,1088 2.927,1089 10.155,1090 21.76,1091 4.51,1092 13.512,1093 17.3,1094 0.082,1095 26.519,1096 12.705,1097 2.625,1098 9.518,1099 23.6,1100 4.443,1101 14.654,1102 18.807,1103 14.919,1104 28.838,1105 13.791,1106 2.198,1107 8.571,1108 25.445,1109 3.94,1110 15.76,1111 20.274,1112 0.054,1113 31.132,1114 14.83,1115 1.801,1116 6.554,1117 27.291,1118 3.263,1119 16.893,1120 21.772,1121 17.29,1122 33.446,1123 15.907,1124 1.732,1125 5.373,1126 29.141,1127 2.771,1128 18.012,1129 23.253,1130 0.035,1131 35.75,1132 16.966,1133 7991,1134 13497,1135 19.879,1136 32.887,1137 45.81,1138 48.775,1139 46.18,1140 45.917,1141 45.781,1142 60.743,1143 9.865,1144 136.5,1145 42.638,1146 5.649,1147 7.068,1148 6.318,1149 5.194,1150 5.167,1151 7.51,1152 6.545,1153 17.033,1154 5.017,1155 13.402,1156 1.527,1157 1.626,1158 1.539,1159 1.531,1160 1.526,1161 2.025,1162 0.329,1163 4.55,1164 1.421,1165 4.148,1166 4.181,1167 4.723,1168 4.07,1169 7.715,1170 4.065,1171 4.017,1172 4.01,1173 4.1,1174 4,1175 6.999,1176 3.887,1177 3.834,1178 3.85,1179 3.833,1180 3.672,1181 5.022,1182 3.662,1183 3.646,1184 3.687,1185 3.561,1186 3.457,1187 4.851,1188 3.468,1189 3.399,1190 3.452,1191 3.307,1192 3.269,1193 4.606,1194 3.266,1195 3.111,1196 3.206,1197 2.909,1198 2.941,1199 4.232,1200 2.915,1201 3.079,1202 3.158,1203 2.866,1204 2.929,1205 3.997,1206 2.91,1207 2.935,1208 3.021,1209 2.817,1210 2.737,1211 3.842,1212 2.723,1213 0.155,1214 0.169,1215 0.217,1216 0.136,1217 0.106,1218 4.649,1219 0.15,1220 5.068,1221 0.109,1222 6.516,1223 0.343,1224 4.09,1225 0.101,1226 3.167,1227 4.51,1228 3.272,1229 10.286,1230 3.017,1231 1.98,1232 1.961,1233 2.046,1234 2.09,1235 1.254,1236 2.089,1237 1.857,1238 1.868,1239 1.94,1240 1.982,1241 1.183,1242 1.995,1243 1.715,1244 1.684,1245 1.798,1246 1.898,1247 1.173,1248 1.939,1249 1.574,1250 1.51,1251 1.762,1252 1.788,1253 0.841,1254 1.792,1255 1.505,1256 1.471,1257 1.587,1258 1.679,1259 0.825,1260 1.69,1261 1.153,1262 1.085,1263 1.513,1264 1.376,1265 0.74,1266 1.429,1267 1.139,1268 1.064,1269 1.417,1270 1.305,1271 0.493,1272 1.347,1273 0.922,1274 0.836,1275 1.257,1276 1.195,1277 0.41,1278 1.229,1279 4.111,1281 5.468,1282 2.398,1283 7.002,1284 4.727,1285 8.614,1286 6.804,1287 10.269,1289 3.223,1295 2.625,1297 5.414,1300 2.113,1305 31.158,1306 83.548,1307 176.001,1308 228.001,1309 239.611,1310 241.611,1311 241.611,1312 46.194,1313 7.554,1314 77.32,1315 85.7,1316 23,1317 12.603,1318 4.248,1319 3.459,1320 39.895,1321 93,1322 94,1323 0.207,1324 193.256,1325 325.52,1326 463.306,1327 18211,1329 19.018,1330 0.704,1331 0.601,1332 19.268,1333 16.238,1334 12.888,1335 0.43,1336 0.363,1337 8.853,1338 11.548,1339 8.396,1340 6.915,1341 13.815,1342 10.889,1343 12.808,1344 0.291,1345 0.206,1346 14.19,1347 9.051,1348 9.567,1349 0.174,1350 0.1,1351 10.018,1352 5.474,1353 8.466,1354 0.113,1355 0.054,1356 8.982,1357 4.015,1358 6.697,1359 0.071,1360 0.028,1361 7.054,1362 2.588,1363 0.317,1364 90.646,1365 0.224,1366 25.498,1367 0.596,1368 148,1369 448.647,1370 193.212,1371 448.672,1372 606.64,1373 416,1374 173,1375 421.943,1376 225.535,1377 456.667,1378 658.93,1379 424,1380 4.62}
{0 CHEMBL2030442,1 1.735,2 8.115,3 2.315,4 5.36,5 98.139,6 8.098,7 0.552,8 3.953,9 4.054,10 3.745,11 3.52,12 4.98,13 3.482,14 4.528,15 4.68,16 3.99,17 3.895,18 5.757,19 3.859,20 4.75,21 4.947,22 3.963,23 3.991,24 5.831,25 3.927,26 4.691,27 4.908,28 3.981,29 3.982,30 5.77,31 3.899,32 4.7,33 4.917,34 4.005,35 3.953,36 5.767,37 3.885,38 4.654,39 4.844,40 4.046,41 3.989,42 5.76,43 3.907,44 4.741,45 4.924,46 4.083,47 4.083,48 5.777,49 3.962,50 4.901,51 5.096,52 3.996,53 4.071,54 6.019,55 3.937,56 0.093,57 0.73,58 11.228,59 4.651,60 15.394,61 5.268,62 0.408,63 1.18,64 22.95,65 7.857,66 55.436,67 9.114,68 0.597,69 1.362,70 25.991,71 8.413,72 66.859,73 10.785,74 0.357,75 1.36,76 24.507,77 8.871,78 42.556,79 12.021,80 0.46,81 1.367,82 25.242,83 7.95,84 44.163,85 10.871,86 0.444,87 1.306,88 22.933,89 8.56,90 40.591,91 10.923,92 0.355,93 1.413,94 30.178,95 11.046,96 36.468,97 12.79,98 0.567,99 1.449,100 38.393,101 12.802,102 82.526,103 14.653,104 12,105 42,106 0.295,107 0.631,108 0.782,109 0.825,110 0.833,111 0.833,112 3.305,113 1.087,114 -3.11,115 -3.11,116 -2.99,119 39.1,124 1,125 5,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 5,180 3,183 5,186 1,187 4,192 2,195 4,198 3,199 7,204 1,207 2,211 1,212 5,215 2,220 2,223 4,224 4,232 2,236 1,237 6,240 1,242 1,245 1,250 6,262 2,263 4,266 2,275 978,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 15.252,282 15.393,283 10.245,284 18.058,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 11.052,291 21.354,292 4.924,293 15.497,294 3.788,295 1.809,296 0.921,297 0.669,298 0.625,299 0.625,300 4.001,303 1,304 1,305 1,306 460,307 3.24,310 52.629,311 223.009,314 98.152,318 1.124,319 31.211,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 211,332 4.653,333 5.068,334 6.707,335 4.145,336 3.191,337 4.52,338 3.272,339 10.91,340 3.092,341 4.578,342 3.22,343 6.46,344 3.999,345 3.108,346 4.439,347 0.86,348 10.209,349 2.754,350 4.207,351 3.063,352 6.186,353 3.793,354 2.866,355 3.852,356 0.8,357 9.253,358 2.589,359 3.738,360 2.72,361 5.751,362 3.401,363 2.464,364 3.081,366 7.786,367 2.307,368 3.477,369 2.396,370 5.192,371 3.085,372 2.122,373 2.747,375 6.43,376 2.033,377 3.048,378 2.262,379 4.576,380 2.642,381 1.738,382 2.322,384 4.543,385 1.567,386 2.96,387 1.836,388 4.355,389 2.545,390 1.548,391 2.11,393 4.088,394 1.542,395 2.822,396 1.548,397 3.993,398 2.352,399 1.413,400 1.898,402 3.498,403 1.323,404 2.5,405 1.465,406 3.493,407 1.971,408 1.061,409 1.5,411 2.605,412 0.968,413 2.203,414 1.303,415 3.404,416 1.952,417 1,418 1.179,420 2.231,421 0.946,422 2,423 1.256,424 3.247,425 1.943,426 1,427 1,428 2.136,429 0.929,430 1.957,431 1,432 3.161,433 1.436,434 0.473,435 0.697,436 1.22,437 0.455,438 1.203,439 0.474,440 3.131,441 0.817,442 -0.1,443 -0.122,445 -0.314,446 -0.089,447 1,448 0.1,449 2.613,450 0.551,451 -0.418,452 -0.542,454 -1.124,455 -0.402,456 0.99,457 -0.309,458 2.514,459 0.389,460 -0.549,461 -0.649,463 -1.364,464 -0.512,465 12.433,466 0.478,467 0.764,468 0.029,469 35.25,470 1.356,471 17.5,472 0.673,473 17.75,474 0.683,475 20.526,476 0.789,477 28.367,478 0.617,479 25.993,480 1,481 6.726,482 0.259,483 5.768,484 0.222,485 0.094,486 0.067,487 0.273,493 0.649,494 1.442,495 0.812,496 1.25,497 0.655,498 0.975,499 1.017,500 1.155,501 1.172,502 1.143,503 0.606,504 0.931,505 1.367,506 0.967,507 0.931,508 0.758,509 1.393,510 0.926,511 0.528,512 1.138,513 0.762,514 0.938,515 0.432,516 0.964,517 0.847,518 0.976,519 0.809,520 0.842,521 0.806,522 0.901,523 0.724,524 1.019,525 0.858,526 0.917,527 0.661,528 0.986,529 0.843,530 1.101,531 1.335,532 1.339,533 0.815,534 1.182,535 1.333,536 1.124,537 1.407,538 1.4,539 1.668,540 1.263,541 6,542 0.005,543 2.444,544 1.688,545 1.048,546 1.042,547 0.785,548 0.515,549 0.365,550 0.204,551 7318,552 21275,553 2.115,554 43.5,556 18,557 1,559 1,564 1.7,565 1.987,566 3.007,567 -0.256,568 1,569 1,573 79.832,574 1.735,575 3.714,576 4.603,577 4.855,578 4.898,579 4.898,580 2.269,581 4.075,582 4.674,583 3.191,584 1036.93,585 8.147,586 12880.9,588 1,590 1,591 254.084,592 1.508,593 4.629,594 0.207,595 0.002,596 0.058,597 0.043,598 0.026,599 0.027,600 0.02,601 0.013,602 0.011,603 0.01,604 0.416,605 0.33,606 1,607 0.902,608 124.334,609 0.045,610 -0.227,611 0.207,612 -0.087,613 -0.128,614 0.006,616 -0.035,617 -0.129,618 -0.072,619 0.217,620 0.016,621 -0.26,622 0.041,623 -0.12,624 0.099,625 -0.246,626 -0.01,627 0.113,628 -0.099,629 0.077,630 -0.023,631 0.131,632 0.013,633 -0.022,634 0.088,635 0.049,636 0.041,637 -0.064,638 0.034,639 0.098,640 0.055,641 0.035,642 0.04,643 0.075,644 -0.031,645 -0.028,646 -0.02,647 -0.15,648 -0.159,649 0.006,650 -0.168,651 -0.172,652 -0.186,653 -0.227,654 -0.261,655 -0.172,656 -0.249,657 4.112,658 4.808,659 0.808,660 20.29,661 1.012,662 1.127,663 1.885,664 3.552,665 0.677,666 3.401,667 3.761,668 3.989,669 4.317,670 4.533,671 4.663,672 4.868,673 5.011,674 5.056,675 5.094,676 5.443,677 0.644,678 372.49,679 3.401,680 4.963,681 5.808,682 6.711,683 7.575,684 8.482,685 9.356,686 10.264,687 11.145,688 12.053,689 8.7,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 46,733 18,734 1,735 29,737 49,738 18,739 12,740 3,741 3,746 4,747 5,761 12,762 6,766 2,769 1,771 2,777 1,778 1,781 20,782 6,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 26,851 1,854 5,856 1,859 1,870 6.5,873 2,874 1,877 13.083,878 8.517,879 5.486,880 2.631,881 3.265,882 1.439,883 1.019,884 4.593,885 10.707,886 3.689,887 4.353,888 4.867,889 5.539,890 6.071,891 6.476,892 6.968,893 7.418,894 7.67,895 8.025,896 0.667,897 39,898 9.796,900 4.406,901 7.824,902 18.509,904 15.687,905 2.324,906 60.417,909 1,910 223.651,911 99.276,912 53.481,914 55.313,916 6.046,917 93.23,918 278.964,919 53.481,920 7.19,921 14.296,922 62.475,923 88.884,924 30.753,925 16.243,926 211.88,928 223.651,929 146.711,930 55.313,931 6.046,933 225.979,934 44.313,935 11,937 33.838,938 76.974,939 39.617,941 223.651,942 108.794,943 99.276,945 6.046,946 223.651,947 29.611,948 66.743,949 16.786,950 88.884,951 223.651,952 108.794,953 99.276,955 0.588,956 0.317,957 0.183,958 0.099,959 22,960 9,961 0.082,962 4,963 1,964 1.095,965 3.711,966 230.117,967 0.095,968 21,969 116.211,973 1,974 17.317,975 6.897,976 3.867,977 2.004,978 92.008,979 11.506,980 9.289,981 3.182,984 2.669,986 16.786,987 431.721,988 39,991 -3.195,993 23.616,999 46.534,1000 51.863,1001 0.314,1002 0.672,1003 0.833,1004 0.879,1005 0.887,1006 0.887,1007 4.942,1008 1.413,1009 5.832,1010 4.088,1011 4.443,1012 5.04,1013 3.213,1014 6.678,1015 4.307,1016 6.188,1017 1.061,1018 7.409,1019 3.498,1020 4.205,1021 5.156,1022 0.325,1023 7.789,1024 3.955,1025 7.544,1026 1,1027 9.093,1028 2.605,1029 6.116,1030 7.391,1031 5.446,1032 10.795,1033 5.839,1034 8.94,1035 1,1036 10.838,1037 2.231,1038 6.661,1039 8.304,1040 0.268,1041 12.662,1042 6.273,1043 10.369,1044 0.473,1045 12.622,1046 2.136,1047 8.091,1048 10.075,1049 7.807,1050 15.236,1051 7.671,1052 11.821,1053 -0.1,1054 14.43,1055 1.22,1056 8.969,1057 11.315,1058 0.188,1059 17.387,1060 8.459,1061 13.288,1062 -0.418,1063 16.254,1064 -0.314,1065 10.217,1066 12.917,1067 10.177,1068 19.819,1069 9.667,1070 3.191,1071 -0.549,1072 18.091,1073 -1.124,1074 11.24,1075 14.298,1076 0.125,1077 22.088,1078 10.62,1079 3.108,1080 10.91,1081 19.936,1082 -1.364,1083 12.417,1084 15.834,1085 12.548,1086 24.471,1087 11.755,1088 2.866,1089 10.209,1090 21.787,1091 4.52,1092 13.505,1093 17.277,1094 0.082,1095 26.79,1096 12.786,1097 2.464,1098 9.253,1099 23.644,1100 4.439,1101 14.656,1102 18.788,1103 14.919,1104 29.158,1105 13.896,1106 2.122,1107 7.786,1108 25.505,1109 3.852,1110 15.772,1111 20.258,1112 0.054,1113 31.501,1114 14.965,1115 1.738,1116 6.43,1117 27.37,1118 3.081,1119 16.914,1120 21.759,1121 17.29,1122 33.866,1123 16.069,1124 1.548,1125 4.543,1126 29.237,1127 2.747,1128 18.044,1129 23.244,1130 0.035,1131 36.222,1132 17.159,1133 6983,1134 12036,1135 19.474,1136 31.125,1137 44.01,1138 46.707,1139 44.005,1140 44.102,1141 43.967,1142 58.69,1143 9.865,1144 129.818,1145 41.009,1146 5.653,1147 7.068,1148 6.509,1149 5.249,1150 5.191,1151 7.52,1152 6.545,1153 18.137,1154 5.092,1155 11.16,1156 1.518,1157 1.611,1158 1.517,1159 1.521,1160 1.516,1161 2.024,1162 0.34,1163 4.476,1164 1.414,1165 4.143,1166 4.174,1167 4.723,1168 4.069,1169 7.715,1170 4.061,1171 4.008,1172 3.998,1173 4.093,1174 3.994,1175 6.999,1176 3.88,1177 3.827,1178 3.848,1179 3.811,1180 3.657,1181 5.046,1182 3.65,1183 3.618,1184 3.658,1185 3.54,1186 3.426,1187 4.862,1188 3.435,1189 3.378,1190 3.434,1191 3.275,1192 3.259,1193 4.604,1194 3.254,1195 3.111,1196 3.206,1197 2.921,1198 2.941,1199 4.279,1200 2.91,1201 3.006,1202 3.061,1203 2.866,1204 2.904,1205 3.998,1206 2.901,1207 2.932,1208 3.011,1209 2.817,1210 2.679,1211 3.848,1212 2.688,1213 0.16,1214 0.175,1215 0.231,1216 0.143,1217 0.11,1218 4.653,1219 0.156,1220 5.068,1221 0.113,1222 6.707,1223 0.376,1224 4.145,1225 0.107,1226 3.191,1227 4.52,1228 3.272,1229 10.91,1230 3.092,1231 1.981,1232 1.962,1233 2.042,1234 2.089,1235 1.255,1236 2.088,1237 1.852,1238 1.864,1239 1.937,1240 1.971,1241 1.183,1242 1.986,1243 1.714,1244 1.681,1245 1.791,1246 1.897,1247 1.163,1248 1.938,1249 1.524,1250 1.482,1251 1.657,1252 1.731,1253 0.825,1254 1.731,1255 1.458,1256 1.406,1257 1.581,1258 1.646,1259 0.74,1260 1.652,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.657,1266 1.429,1267 1.021,1268 0.967,1269 1.259,1270 1.197,1271 0.416,1272 1.231,1273 0.928,1274 0.849,1275 1.223,1276 1.188,1277 0.3,1278 1.208,1279 4.078,1281 5.425,1282 2.398,1283 6.956,1284 4.595,1285 8.571,1286 6.605,1287 10.232,1289 1.218,1295 2.609,1297 5.409,1300 2.109,1305 29.632,1306 79.832,1307 170.859,1308 211.719,1309 223.329,1310 225.329,1311 225.329,1312 44.123,1313 7.442,1314 88.18,1315 96.56,1316 23,1317 12.575,1318 4.248,1319 3.459,1320 37.619,1321 84,1322 80,1323 0.219,1324 183.664,1325 308.22,1326 439.9,1327 15835,1329 18.148,1330 0.698,1331 0.588,1332 18.398,1333 15.291,1334 12.494,1335 0.431,1336 0.362,1337 8.482,1338 11.192,1339 8.093,1340 6.639,1341 13.421,1342 10.504,1343 12.206,1344 0.291,1345 0.205,1346 13.588,1347 8.595,1348 9.081,1349 0.171,1350 0.097,1351 9.531,1352 5.167,1353 8.309,1354 0.112,1355 0.052,1356 8.826,1357 3.866,1358 6.518,1359 0.071,1360 0.027,1361 6.875,1362 2.462,1363 0.331,1364 88.078,1365 0.227,1366 24.489,1367 0.645,1368 142,1369 437.335,1370 186.851,1371 437.747,1372 591.6,1373 406,1374 166,1375 410.098,1376 217.702,1377 442.963,1378 640.9,1379 413,1380 4.845}
{0 CHEMBL2030443,1 1.731,2 8.68,3 1.417,4 2.008,5 93.869,6 7.902,7 0.444,8 3.936,9 4.031,10 3.699,11 3.476,12 4.985,13 3.433,14 4.507,15 4.663,16 3.912,17 3.829,18 5.756,19 3.786,20 4.733,21 4.928,22 3.912,23 3.94,24 5.848,25 3.873,26 4.703,27 4.931,28 3.907,29 3.921,30 5.794,31 3.83,32 4.671,33 4.882,34 3.963,35 3.908,36 5.755,37 3.842,38 4.663,39 4.853,40 4.01,41 3.946,42 5.845,43 3.859,44 4.73,45 4.925,46 3.984,47 4.011,48 5.795,49 3.886,50 4.849,51 5.047,52 3.852,53 3.958,54 5.992,55 3.822,56 0.114,57 0.693,58 11.834,59 4.833,60 20.696,61 5.506,62 0.463,63 1.1,64 23.631,65 7.808,66 63.65,67 9.22,68 0.609,69 1.288,70 26.198,71 8.309,72 73.314,73 11.033,74 0.452,75 1.286,76 26.382,77 8.871,78 55.312,79 12.178,80 0.442,81 1.266,82 25.221,83 7.832,84 48.532,85 10.927,86 0.575,87 1.265,88 24.187,89 8.513,90 56.342,91 11.073,92 0.393,93 1.321,94 31.794,95 10.905,96 45.906,97 12.946,98 0.646,99 1.274,100 36.171,101 11.921,102 94.408,103 13.983,104 22,105 38,106 0.298,107 0.615,108 0.793,109 0.836,110 0.836,111 0.836,112 3.268,113 1.121,114 -2.95,115 -2.96,116 -2.85,119 37,124 1,125 6,142 5,143 2,146 1,147 1,149 1,172 6,174 3,175 5,180 1,183 6,186 1,187 4,192 2,195 3,198 3,199 7,204 2,207 1,211 1,212 5,217 1,220 2,223 4,224 4,227 2,232 2,236 1,237 6,245 1,250 6,253 1,255 1,262 2,263 4,275 898,276 16.558,277 16.558,278 16.558,279 16.558,280 16.558,281 14.849,282 20.109,283 9.81,284 17.178,285 13.341,286 13.341,287 13.341,288 13.341,289 13.341,290 10.583,291 26.748,292 4.663,293 14.384,294 3.793,295 1.953,296 0.921,297 0.669,298 0.669,299 0.669,300 3.947,303 1,304 1,305 1,306 455,307 3.317,311 243.322,318 1.238,319 35.461,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 217,332 4.648,333 5.068,334 6.471,335 4.048,336 3.161,337 4.445,338 3.272,339 10.254,340 2.895,341 4.357,342 3.186,343 6.295,344 3.907,345 2.985,346 4.029,347 0.86,348 9.642,349 2.677,350 4.03,351 2.918,352 6.038,353 3.693,354 2.738,355 3.57,356 0.8,357 8.734,358 2.571,359 3.653,360 2.714,361 5.334,362 3.335,363 2.379,364 2.921,365 0.765,366 6.909,367 2.266,368 3.438,369 2.475,370 5.135,371 3.078,372 2.108,373 2.707,375 6.279,376 2.033,377 2.935,378 2.279,379 4.433,380 2.641,381 1.737,382 2.044,384 4.412,385 1.566,386 2.816,387 1.853,388 4.179,389 2.377,390 1.413,391 1.905,393 3.663,394 1.359,395 2.55,396 1.519,397 3.496,398 2.065,399 1.122,400 1.573,402 2.625,403 1.054,404 2.198,405 1.37,406 3.477,407 1.952,408 1,409 1.171,411 2.485,412 0.946,413 2,414 1.256,415 3.247,416 1.918,417 1,418 1,420 2.136,421 0.91,422 1.583,423 1.046,424 3.134,425 1.32,426 0.428,427 0.48,428 0.621,429 0.376,430 1.202,431 0.933,432 2.731,433 0.817,434 -0.1,435 -0.122,436 -0.314,437 -0.089,438 1,439 0.1,440 2.623,441 0.501,442 -0.454,443 -0.556,445 -1.197,446 -0.43,447 0.918,448 -0.309,449 2.518,450 0.361,451 -0.583,452 -0.708,454 -1.373,455 -0.546,456 0.691,457 -0.36,458 2.106,459 0.17,460 -0.788,461 -1,463 -1.942,464 -0.746,465 11.867,466 0.475,467 0.729,468 0.029,469 32,470 1.28,471 15.5,472 0.62,473 16.5,474 0.66,475 20.258,476 0.81,477 28.333,478 0.616,479 24.2,480 0.968,481 6.187,482 0.247,483 5.756,484 0.23,485 0.126,486 0.07,487 0.244,493 0.699,494 1.476,495 0.845,496 1.306,497 0.75,498 1.035,499 1.021,500 1.144,501 1.201,502 1.156,503 0.681,504 0.957,505 1.221,506 1.051,507 0.927,508 0.828,509 1.21,510 0.988,511 0.612,512 1.065,513 0.771,514 0.897,515 0.539,516 0.937,517 0.83,518 1.084,519 0.786,520 0.883,521 0.784,522 0.913,523 0.691,524 1.015,525 0.898,526 0.936,527 0.645,528 1.041,529 0.804,530 1.124,531 1.346,532 1.364,533 0.737,534 1.174,535 1.24,536 1.107,537 1.327,538 1.342,539 1.539,540 1.269,541 6.5,542 0.021,543 2,544 1.5,545 1.227,546 1.083,547 0.754,548 0.45,549 0.358,550 0.195,551 6301,552 19859,553 2.028,554 45.7,556 20,559 1,564 1.689,565 1.887,566 3.089,567 -0.238,568 1,569 1,573 79.603,574 1.731,575 3.571,576 4.603,577 4.855,578 4.855,579 4.855,580 2.449,581 4.214,582 4.614,583 3.248,584 974.267,585 8.027,586 11832.1,588 1,590 1,591 254.084,592 1.571,593 4.56,594 0.241,595 0.003,596 0.053,597 0.042,598 0.034,599 0.029,600 0.02,601 0.013,602 0.013,603 0.011,604 0.458,605 0.33,606 1,607 1.086,608 118.731,609 0.017,610 -0.224,611 0.198,612 -0.072,613 -0.142,614 0.003,615 -0.032,616 -0.005,617 -0.137,618 -0.054,619 0.147,620 0.018,621 -0.217,622 -0.019,623 -0.121,624 0.038,625 -0.195,626 -0.058,627 0.071,628 -0.025,629 0.08,630 0.016,631 0.083,632 0.044,633 -0.049,634 -0.01,635 0.068,636 0.025,637 -0.06,638 0.044,639 0.131,640 0.102,641 -0.002,642 0.021,643 0.086,644 -0.086,645 -0.041,646 -0.024,647 -0.155,648 -0.168,649 0.026,650 -0.14,651 -0.133,652 -0.172,653 -0.22,654 -0.249,655 -0.174,656 -0.262,657 4.127,658 4.709,659 0.72,660 20.57,661 1.014,662 1.13,663 1.723,664 2.967,665 0.659,666 3.332,667 3.664,668 3.829,669 4.111,670 4.357,671 4.443,672 4.625,673 4.7,674 4.762,675 4.718,676 5.514,677 0.627,678 363.48,679 3.332,680 4.875,681 5.694,682 6.578,683 7.418,684 8.307,685 9.158,686 10.048,687 10.907,688 11.798,689 6.5,695 1,699 2,704 5,705 2,709 5,711 12,726 1,731 46,733 14,734 1,735 27,737 48,738 17,739 10,740 2,741 4,746 3,747 3,752 1,761 10,762 7,766 2,769 1,771 2,777 1,778 1,781 21,782 7,783 1,784 8,785 1,790 3,794 1,795 4,796 1,806 1,812 3,838 1,839 1,840 3,842 1,844 1,848 25,851 1,853 1,854 6,856 1,859 1,870 8.7,871 1,873 2,874 1,877 13.25,878 8.383,879 5.431,880 2.557,881 2.338,882 1.335,883 0.948,884 5.45,885 9.323,886 3.584,887 4.19,888 4.585,889 5.185,890 5.743,891 6.033,892 6.476,893 6.812,894 7.106,895 7.291,896 0.833,897 36,898 9.433,900 4.173,901 7.97,902 17.62,904 14.563,905 2.47,906 61.75,910 235.422,911 88.697,912 36.695,914 97.996,916 6.046,917 82.651,918 333.418,919 36.695,920 7.19,921 14.296,922 96.111,923 88.884,924 14.58,925 2.328,926 235.422,928 235.422,929 119.347,930 97.996,931 6.046,933 237.75,934 44.313,935 53.683,937 17.053,938 66.395,939 39.617,941 235.422,942 134.692,943 88.697,945 6.046,946 235.422,947 28.08,948 57.696,950 131.567,951 235.422,952 134.692,953 88.697,955 0.581,956 0.306,957 0.168,958 0.097,959 18,960 8,961 0.104,962 5,964 1,965 3.594,966 206.294,968 18,969 110.096,973 1,974 17.962,975 7.586,976 4.833,978 134.692,979 9.019,980 9.045,984 3.113,986 42.683,987 458.811,988 35,991 -3.21,993 23.419,999 46.643,1000 51.989,1001 0.313,1002 0.646,1003 0.833,1004 0.879,1005 0.879,1006 0.879,1007 4.828,1008 1.122,1009 5.714,1010 3.663,1011 4.344,1012 4.875,1013 3.259,1014 6.524,1015 4.202,1016 6.058,1017 1,1018 7.272,1019 2.625,1020 4.111,1021 4.987,1022 0.325,1023 7.6,1024 3.845,1025 7.403,1026 1,1027 8.933,1028 2.485,1029 5.994,1030 7.154,1031 5.449,1032 10.541,1033 5.694,1034 8.785,1035 0.428,1036 10.654,1037 2.136,1038 6.509,1039 8.021,1040 0.268,1041 12.347,1042 6.067,1043 10.198,1044 -0.1,1045 12.411,1046 0.621,1047 7.929,1048 9.757,1049 7.807,1050 14.866,1051 7.449,1052 11.632,1053 -0.454,1054 14.19,1055 -0.314,1056 8.77,1057 10.94,1058 0.188,1059 16.955,1060 8.152,1061 13.083,1062 -0.583,1063 15.986,1064 -1.197,1065 10.009,1066 12.517,1067 10.177,1068 19.331,1069 9.336,1070 3.161,1071 -0.788,1072 17.792,1073 -1.373,1074 11.001,1075 13.845,1076 0.125,1077 21.539,1078 10.201,1079 2.985,1080 10.254,1081 19.607,1082 -1.942,1083 12.165,1084 15.358,1085 12.548,1086 23.863,1087 11.297,1088 2.738,1089 9.642,1090 21.429,1091 4.445,1092 13.228,1093 16.757,1094 0.082,1095 26.123,1096 12.245,1097 2.379,1098 8.734,1099 23.255,1100 4.029,1101 14.365,1102 18.244,1103 14.919,1104 28.43,1105 13.302,1106 2.108,1107 6.909,1108 25.085,1109 3.57,1110 15.461,1111 19.679,1112 0.054,1113 30.714,1114 14.292,1115 1.737,1116 6.279,1117 26.919,1118 2.921,1119 16.589,1120 21.156,1121 17.29,1122 33.017,1123 15.336,1124 1.413,1125 4.412,1126 28.755,1127 2.707,1128 17.702,1129 22.611,1130 0.035,1131 35.313,1132 16.348,1133 6257,1134 11219,1135 17.682,1136 30.335,1137 39.897,1138 43.421,1139 40.552,1140 40.218,1141 40.143,1142 51.693,1143 11.394,1144 115.522,1145 37.304,1146 5.648,1147 7.068,1148 6.273,1149 5.152,1150 5.161,1151 7.445,1152 6.545,1153 16.778,1154 4.895,1155 12.717,1156 1.478,1157 1.608,1158 1.502,1159 1.49,1160 1.487,1161 1.915,1162 0.422,1163 4.279,1164 1.382,1165 4.063,1166 4.074,1167 4.723,1168 4.033,1169 7.715,1170 3.951,1171 3.924,1172 3.912,1173 3.948,1174 3.882,1175 6.999,1176 3.826,1177 3.803,1178 3.839,1179 3.741,1180 3.638,1181 6.457,1182 3.635,1183 3.595,1184 3.631,1185 3.521,1186 3.412,1187 4.985,1188 3.419,1189 3.232,1190 3.278,1191 3.092,1192 3.042,1193 4.642,1194 3.043,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.585,1200 2.91,1201 2.949,1202 3.028,1203 2.834,1204 2.831,1205 3.998,1206 2.822,1207 2.928,1208 2.989,1209 2.816,1210 2.677,1211 3.824,1212 2.687,1213 0.172,1214 0.188,1215 0.24,1216 0.15,1217 0.117,1218 4.648,1219 0.165,1220 5.068,1221 0.121,1222 6.471,1223 0.38,1224 4.048,1225 0.107,1226 3.161,1227 4.445,1228 3.272,1229 10.254,1230 2.895,1231 1.964,1232 1.945,1233 2.046,1234 2.082,1235 1.252,1236 2.084,1237 1.846,1238 1.855,1239 1.94,1240 1.959,1241 1.182,1242 1.98,1243 1.714,1244 1.681,1245 1.793,1246 1.896,1247 1.148,1248 1.938,1249 1.509,1250 1.476,1251 1.591,1252 1.697,1253 0.825,1254 1.706,1255 1.187,1256 1.139,1257 1.513,1258 1.446,1259 0.75,1260 1.448,1261 1.153,1262 1.064,1263 1.459,1264 1.376,1265 0.584,1266 1.429,1267 0.959,1268 0.899,1269 1.264,1270 1.198,1271 0.414,1272 1.233,1273 0.88,1274 0.797,1275 1.14,1276 1.113,1277 0.25,1278 1.119,1279 4.007,1281 5.333,1283 6.843,1285 8.432,1287 10.063,1289 1.19,1294 9.333,1295 2.408,1297 5.368,1300 2.066,1305 28.852,1306 79.603,1307 164.261,1308 211.719,1309 223.329,1310 223.329,1311 223.329,1312 52.192,1313 6.985,1314 92.62,1315 101,1316 18,1317 12.333,1318 3.907,1319 3.17,1320 41.327,1321 82,1322 83,1323 0.25,1324 181.594,1325 314.61,1326 434.85,1327 8636,1329 17.864,1330 0.715,1331 0.595,1332 18.114,1333 14.868,1334 11.943,1335 0.442,1336 0.374,1337 8.065,1338 10.628,1339 7.668,1340 6.303,1341 12.87,1342 10.091,1343 11.457,1344 0.302,1345 0.216,1346 12.84,1347 8.209,1348 8.163,1349 0.181,1350 0.104,1351 8.613,1352 4.699,1353 7.073,1354 0.118,1355 0.057,1356 7.59,1357 3.403,1358 5.751,1359 0.075,1360 0.029,1361 6.108,1362 2.217,1363 0.379,1364 85.023,1365 0.238,1366 23.837,1367 0.727,1368 130,1369 431.152,1370 174.57,1371 426.444,1372 562.03,1373 394,1374 148,1375 370.641,1376 199.199,1377 403.844,1378 579.18,1379 374,1380 5.688}
{0 CHEMBL2030445,1 1.79,2 8.769,3 1.537,4 2.363,5 95.963,6 8.3,7 0.552,8 3.941,9 4.043,10 3.751,11 3.486,12 4.991,13 3.459,14 4.514,15 4.67,16 3.997,17 3.856,18 5.77,19 3.832,20 4.722,21 4.917,22 3.948,23 3.942,24 5.834,25 3.888,26 4.659,27 4.883,28 3.921,29 3.918,30 5.741,31 3.835,32 4.632,33 4.851,34 3.954,35 3.884,36 5.699,37 3.819,38 4.591,39 4.769,40 4.038,41 3.923,42 5.75,43 3.85,44 4.711,45 4.907,46 4.018,47 4,48 5.784,49 3.889,50 4.821,51 5.021,52 3.911,53 3.94,54 5.958,55 3.827,56 0.112,57 0.741,58 10.582,59 4.388,60 16.455,61 4.904,62 0.474,63 1.174,64 22.457,65 7.389,66 57.823,67 8.49,68 0.654,69 1.321,70 24.719,71 7.764,72 71.221,73 9.896,74 0.431,75 1.297,76 23.847,77 8.223,78 45.928,79 11.18,80 0.48,81 1.252,82 23.602,83 7.489,84 45.412,85 10.177,86 0.455,87 1.246,88 20.379,89 8.019,90 37.854,91 10.045,92 0.448,93 1.34,94 30.476,95 10.264,96 45.662,97 11.889,98 0.662,99 1.294,100 35.041,101 11.17,102 92.415,103 12.916,104 12,105 42,106 0.306,107 0.64,108 0.798,109 0.828,110 0.828,111 0.828,112 3.305,113 1.072,114 -2.94,115 -2.95,116 -2.84,119 37.8,124 1,125 5,142 4,143 1,146 2,147 1,149 1,152 1,160 1,172 3,174 3,175 6,178 1,180 1,183 2,186 1,187 6,192 2,195 1,198 3,199 6,204 1,207 1,211 3,212 3,220 2,223 4,224 3,227 2,232 1,236 2,237 6,250 4,253 1,255 1,262 4,263 1,275 1002,276 17.342,277 17.342,278 17.342,279 17.342,280 17.342,281 15.22,282 15.393,283 10.181,284 18.072,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 11.061,291 21.354,292 4.922,293 15.601,294 3.701,295 1.744,296 0.817,297 0.639,298 0.639,299 0.639,300 4.001,303 1,304 1,305 1,306 498,307 3.24,310 60.853,311 224.977,314 102.726,318 1.266,319 32.999,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.5,331 228,332 4.649,333 5.068,334 6.472,335 4.06,336 3.163,337 4.447,338 3.272,339 10.258,340 2.945,341 4.472,342 3.188,343 6.335,344 3.958,345 3.028,346 4.389,347 0.86,348 9.759,349 2.754,350 4.254,351 2.975,352 6.171,353 3.804,354 2.871,355 3.918,356 0.8,357 9.187,358 2.598,359 3.832,360 2.751,361 5.941,362 3.518,363 2.575,364 3.205,366 8.374,367 2.427,368 3.502,369 2.51,370 5.197,371 3.13,372 2.171,373 2.757,375 6.507,376 2.068,377 3.034,378 2.281,379 4.478,380 2.643,381 1.739,382 2.301,384 4.494,385 1.568,386 2.96,387 1.85,388 4.376,389 2.499,390 1.534,391 2.11,393 4.24,394 1.478,395 2.825,396 1.534,397 4.201,398 2.347,399 1.413,400 1.903,402 3.761,403 1.316,404 2.524,405 1.466,406 3.493,407 1.985,408 1.087,409 1.535,411 2.607,412 0.973,413 2.2,414 1.308,415 3.434,416 1.952,417 1,418 1.174,420 2.353,421 0.946,422 2,423 1.256,424 3.247,425 1.916,426 1,427 1,428 2.136,429 0.909,430 1.902,431 1.021,432 3.134,433 1.357,434 0.409,435 0.609,436 1.011,437 0.387,438 1.202,439 0.41,440 3.04,441 0.817,442 -0.1,443 -0.122,445 -0.314,446 -0.089,447 1,448 0.1,449 2.691,450 0.485,451 -0.462,452 -0.56,454 -1.248,455 -0.436,456 0.918,457 -0.309,458 2.532,459 0.353,460 -0.591,461 -0.736,463 -1.568,464 -0.551,465 12.333,466 0.474,467 0.781,468 0.03,469 35.75,470 1.375,471 17.5,472 0.673,473 18.25,474 0.702,475 20.047,476 0.771,477 28.467,478 0.633,479 26.063,480 1.002,481 6.791,482 0.261,483 5.687,484 0.219,485 0.095,486 0.068,487 0.276,493 0.671,494 1.529,495 0.798,496 1.29,497 0.658,498 0.984,499 1.018,500 1.134,501 1.168,502 1.137,503 0.61,504 0.913,505 1.381,506 1.008,507 0.953,508 0.782,509 1.41,510 0.957,511 0.584,512 1.067,513 0.804,514 0.925,515 0.473,516 0.977,517 0.8,518 0.915,519 0.774,520 0.83,521 0.801,522 0.875,523 0.641,524 1.119,525 0.85,526 1.035,527 0.639,528 1.083,529 0.889,530 1.04,531 1.373,532 1.327,533 0.835,534 1.13,535 1.367,536 1.105,537 1.318,538 1.337,539 1.81,540 1.222,541 6.5,542 0.079,543 2.444,544 1.507,545 1.253,546 1.052,547 0.78,548 0.47,549 0.347,550 0.24,551 7622,552 23145,553 2.115,554 42.2,556 17,558 1,559 1,564 1.698,565 1.987,566 3.117,567 -0.218,568 1,569 1,573 80.571,574 1.79,575 3.748,576 4.675,577 4.853,578 4.853,579 4.853,580 2.484,581 4.181,582 4.672,583 3.292,584 1069.9,585 8.136,586 13277.3,588 1,590 1,591 247.133,592 1.508,593 4.629,594 0.224,595 0.007,596 0.058,597 0.04,598 0.034,599 0.028,600 0.02,601 0.013,602 0.011,603 0.011,604 0.446,605 0.33,606 1,607 0.902,608 125.135,609 0.025,610 -0.293,611 0.205,612 -0.115,613 -0.125,614 -0.01,615 -0.008,616 -0.009,617 -0.129,618 -0.064,619 0.218,620 0.028,621 -0.289,622 -0.009,623 -0.145,624 0.075,625 -0.259,626 -0.041,627 0.077,628 -0.043,629 0.047,630 -0.008,631 0.105,632 0.007,633 -0.001,634 0.11,635 0.094,636 0.08,637 -0.049,638 0.089,639 0.172,640 -0.043,641 0.036,642 -0.056,643 0.11,644 -0.122,645 -0.053,646 0.026,647 -0.161,648 -0.135,649 0.019,650 -0.108,651 -0.171,652 -0.202,653 -0.183,654 -0.233,655 -0.237,656 -0.205,657 4.117,658 4.768,659 0.808,660 21.497,661 1.017,662 1.132,663 1.711,664 2.926,665 0.675,666 3.401,667 3.761,668 3.97,669 4.277,670 4.5,671 4.635,672 4.836,673 4.97,674 5.03,675 5.118,676 5.657,677 0.647,678 373.48,679 3.401,680 4.963,681 5.802,682 6.698,683 7.555,684 8.454,685 9.321,686 10.22,687 11.093,688 11.992,689 11.1,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,731 45,733 18,734 1,735 29,737 48,738 17,739 11,740 3,741 3,746 4,747 5,761 11,762 6,766 2,769 1,771 2,777 1,778 1,781 19,782 7,783 1,784 9,785 1,787 1,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 26,851 1,854 5,856 1,859 1,870 6.7,873 2,874 1,877 13.083,878 8.383,879 5.458,880 2.546,881 3.236,882 1.435,883 1.016,884 4.552,885 10.679,886 3.689,887 4.353,888 4.849,889 5.498,890 6.035,891 6.448,892 6.95,893 7.403,894 7.676,895 8.098,896 0.833,897 38,898 9.783,900 4.4,901 7.862,902 18.379,904 15.49,905 2.362,906 61.417,910 211.88,911 88.942,912 70.266,914 55.313,916 6.046,917 82.896,918 267.193,919 70.266,920 7.19,921 14.296,922 43.951,923 126.059,924 30.324,925 4.472,926 200.109,928 211.88,929 153.163,930 55.313,931 6.046,933 214.208,934 44.313,935 11,937 44.601,938 55.877,939 56.403,941 211.88,942 125.579,943 88.942,945 6.046,946 211.88,947 29.182,948 56.838,949 16.786,950 105.669,951 211.88,952 125.579,953 88.942,955 0.591,956 0.313,957 0.175,958 0.095,959 22,960 9,961 0.083,962 4,963 1,964 1.095,965 3.759,966 227.026,967 0.095,968 21,969 116.211,973 1,974 17.255,975 6.859,976 3.998,977 1.738,978 108.794,979 9.105,980 13.429,981 3.05,984 2.507,986 16.786,987 426.401,988 39,991 -3.2,993 23.536,999 45.753,1000 50.946,1001 0.326,1002 0.682,1003 0.851,1004 0.884,1005 0.884,1006 0.884,1007 4.942,1008 1.413,1009 5.826,1010 4.24,1011 4.443,1012 5.04,1013 3.213,1014 6.655,1015 4.294,1016 6.188,1017 1.087,1018 7.394,1019 3.761,1020 4.205,1021 5.156,1022 0.325,1023 7.727,1024 3.943,1025 7.542,1026 1,1027 9.065,1028 2.607,1029 6.107,1030 7.383,1031 5.446,1032 10.698,1033 5.803,1034 8.934,1035 1,1036 10.795,1037 2.353,1038 6.635,1039 8.279,1040 0.268,1041 12.508,1042 6.209,1043 10.357,1044 0.409,1045 12.56,1046 2.136,1047 8.059,1048 10.044,1049 7.807,1050 15.037,1051 7.589,1052 11.801,1053 -0.1,1054 14.348,1055 1.011,1056 8.914,1057 11.262,1058 0.188,1059 17.126,1060 8.329,1061 13.261,1062 -0.462,1063 16.151,1064 -0.314,1065 10.153,1066 12.856,1067 10.177,1068 19.504,1069 9.513,1070 3.163,1071 -0.591,1072 17.963,1073 -1.248,1074 11.154,1075 14.215,1076 0.125,1077 21.708,1078 10.41,1079 3.028,1080 10.258,1081 19.784,1082 -1.568,1083 12.319,1084 15.74,1085 12.548,1086 24.031,1087 11.512,1088 2.871,1089 9.759,1090 21.609,1091 4.447,1092 13.385,1093 17.162,1094 0.082,1095 26.285,1096 12.485,1097 2.575,1098 9.187,1099 23.439,1100 4.389,1101 14.522,1102 18.659,1103 14.919,1104 28.589,1105 13.553,1106 2.171,1107 8.374,1108 25.271,1109 3.918,1110 15.619,1111 20.111,1112 0.054,1113 30.867,1114 14.564,1115 1.739,1116 6.507,1117 27.107,1118 3.205,1119 16.747,1120 21.597,1121 17.29,1122 33.167,1123 15.62,1124 1.534,1125 4.494,1126 28.944,1127 2.757,1128 17.859,1129 23.063,1130 0.035,1131 35.457,1132 16.652,1133 7232,1134 12739,1135 19.474,1136 30.37,1137 44.032,1138 46.719,1139 43.729,1140 44.072,1141 43.979,1142 58.699,1143 9.865,1144 129.372,1145 40.733,1146 5.649,1147 7.068,1148 6.274,1149 5.163,1150 5.163,1151 7.447,1152 6.545,1153 16.838,1154 4.945,1155 11.204,1156 1.518,1157 1.611,1158 1.508,1159 1.52,1160 1.517,1161 2.024,1162 0.34,1163 4.461,1164 1.405,1165 4.121,1166 4.158,1167 4.723,1168 4.044,1169 7.715,1170 4.017,1171 4.008,1172 4.004,1173 4.071,1174 3.964,1175 6.999,1176 3.876,1177 3.831,1178 3.849,1179 3.824,1180 3.661,1181 5.105,1182 3.655,1183 3.633,1184 3.675,1185 3.553,1186 3.436,1187 4.924,1188 3.448,1189 3.332,1190 3.387,1191 3.253,1192 3.181,1193 4.607,1194 3.189,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.269,1200 2.91,1201 2.937,1202 3.022,1203 2.821,1204 2.802,1205 3.997,1206 2.797,1207 2.926,1208 2.99,1209 2.816,1210 2.682,1211 3.862,1212 2.69,1213 0.16,1214 0.175,1215 0.223,1216 0.14,1217 0.109,1218 4.649,1219 0.153,1220 5.068,1221 0.113,1222 6.472,1223 0.354,1224 4.06,1225 0.102,1226 3.163,1227 4.447,1228 3.272,1229 10.258,1230 2.945,1231 1.968,1232 1.948,1233 2.029,1234 2.087,1235 1.251,1236 2.085,1237 1.848,1238 1.858,1239 1.934,1240 1.97,1241 1.182,1242 1.983,1243 1.714,1244 1.681,1245 1.789,1246 1.897,1247 1.127,1248 1.938,1249 1.512,1250 1.477,1251 1.591,1252 1.715,1253 0.825,1254 1.714,1255 1.359,1256 1.28,1257 1.522,1258 1.634,1259 0.74,1260 1.612,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.482,1266 1.429,1267 0.994,1268 0.949,1269 1.257,1270 1.202,1271 0.404,1272 1.235,1273 0.892,1274 0.804,1275 1.12,1276 1.148,1277 0.219,1278 1.137,1279 4.078,1281 5.425,1282 2.398,1283 6.95,1284 4.595,1285 8.554,1286 6.581,1287 10.201,1289 1.207,1295 2.56,1297 5.394,1300 2.091,1305 29.126,1306 80.571,1307 168.663,1308 210.379,1309 218.379,1310 218.379,1311 218.379,1312 43.817,1313 7.442,1314 101.07,1315 109.45,1316 23,1317 12.52,1318 4.248,1319 3.459,1320 37.702,1321 87,1322 80,1323 0.211,1324 180.866,1325 301.92,1326 433.073,1327 15921,1329 18.148,1330 0.698,1331 0.583,1332 18.398,1333 15.161,1334 12.477,1335 0.43,1336 0.357,1337 8.32,1338 11.109,1339 7.943,1340 6.511,1341 13.404,1342 10.358,1343 12.28,1344 0.292,1345 0.202,1346 13.663,1347 8.485,1348 9.092,1349 0.175,1350 0.096,1351 9.543,1352 5.011,1353 8.109,1354 0.114,1355 0.052,1356 8.625,1357 3.665,1358 6.385,1359 0.072,1360 0.026,1361 6.742,1362 2.358,1363 0.321,1364 88.431,1365 0.227,1366 24.684,1367 0.609,1368 142,1369 456.98,1370 188.628,1371 455.17,1372 613.42,1373 422,1374 165,1375 425.563,1376 218.562,1377 457.712,1378 660.55,1379 426,1380 5.975}
{0 CHEMBL2030446,1 1.705,2 8.815,3 2.693,4 7.251,5 102.557,6 7.888,7 0.533,8 4.007,9 4.111,10 3.772,11 3.571,12 5.023,13 3.528,14 4.587,15 4.746,16 4.032,17 3.951,18 5.79,19 3.91,20 4.826,21 5.025,22 4.017,23 4.06,24 5.897,25 3.993,26 4.818,27 5.047,28 3.993,29 4.061,30 5.846,31 3.96,32 4.784,33 5.011,34 4.004,35 4.024,36 5.79,37 3.936,38 4.747,39 4.952,40 4.096,41 4.046,42 5.834,43 3.955,44 4.802,45 4.994,46 4.102,47 4.129,48 5.843,49 4.007,50 4.946,51 5.144,52 4.024,53 4.129,54 6.056,55 3.993,56 0.085,57 0.768,58 12.326,59 4.986,60 15.418,61 5.828,62 0.389,63 1.248,64 24.619,65 8.412,66 56.952,67 10.099,68 0.578,69 1.47,70 28.282,71 9.002,72 66.279,73 11.92,74 0.438,75 1.478,76 29.138,77 10.139,78 50.617,79 13.843,80 0.416,81 1.441,82 28.292,83 9.022,84 44.413,85 12.663,86 0.462,87 1.412,88 26.382,89 9.683,90 42.997,91 12.718,92 0.367,93 1.491,94 32.58,95 11.331,96 45.795,97 13.472,98 0.52,99 1.512,100 41.216,101 14.017,102 82.428,103 16.155,104 19,105 44,106 0.286,107 0.629,108 0.816,109 0.869,110 0.876,111 0.876,112 3.341,113 1.093,114 -3.35,115 -3.33,116 -3.19,119 38.8,120 1,124 1,125 4,127 1,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 6,180 3,183 5,186 1,187 5,192 2,195 4,198 3,199 8,204 1,207 3,211 1,212 5,220 2,223 4,224 5,227 2,232 3,236 1,237 6,245 3,250 8,253 1,255 1,258 2,262 2,263 4,271 1,275 1086,276 17.842,277 17.842,278 17.842,279 17.842,280 17.842,281 15.72,282 16.974,283 10.339,284 18.488,285 14.869,286 14.869,287 14.869,288 14.869,289 14.869,290 11.532,291 24.53,292 4.966,293 15.954,294 3.91,295 1.872,296 0.758,297 0.439,298 0.398,299 0.398,300 4.034,303 1,304 1,305 1,306 517,307 3.317,310 63.356,311 233.99,314 106.85,318 1.257,319 31.787,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 238,332 4.649,333 5.068,334 6.518,335 4.077,336 3.17,337 4.447,338 3.272,339 10.333,340 2.973,341 4.474,342 3.294,343 6.433,344 3.965,345 3.049,346 4.389,347 0.86,348 10.037,349 2.815,350 4.275,351 3.004,352 6.279,353 3.892,354 2.943,355 3.923,356 0.8,357 9.512,358 2.643,359 3.912,360 2.796,361 6.006,362 3.607,363 2.656,364 3.232,366 8.604,367 2.517,368 3.572,369 2.51,370 5.311,371 3.199,372 2.229,373 2.841,375 6.74,376 2.15,377 3.114,378 2.306,379 4.891,380 2.797,381 1.864,382 2.301,384 5.387,385 1.735,386 3.034,387 1.9,388 4.427,389 2.524,390 1.534,391 2.247,393 4.309,394 1.517,395 2.868,396 1.714,397 4.252,398 2.362,399 1.414,400 2.025,402 3.868,403 1.336,404 2.525,405 1.534,406 3.874,407 2.326,408 1.413,409 1.537,411 3.09,412 1.281,413 2.414,414 1.437,415 3.581,416 2.006,417 1.078,418 1.414,420 2.698,421 0.998,422 2.173,423 1.298,424 3.435,425 1.926,426 1,427 1.148,428 2.354,429 0.917,430 1.902,431 1.022,432 3.135,433 1.381,434 0.409,435 0.609,436 1.012,437 0.397,438 1.203,439 0.41,440 3.04,441 0.817,442 -0.099,443 -0.121,445 -0.303,446 -0.088,447 1,448 0.153,449 2.706,450 0.779,451 -0.157,452 -0.166,454 -0.367,455 -0.146,456 0.981,457 0.099,458 2.619,459 0.446,460 -0.517,461 -0.686,463 -1.474,464 -0.494,465 12.933,466 0.479,467 0.87,468 0.032,469 35.75,470 1.324,471 17.5,472 0.648,473 18.25,474 0.676,475 22.92,476 0.849,477 29.667,478 0.605,479 26.62,480 0.986,481 6.686,482 0.248,483 6.202,484 0.23,485 0.129,486 0.064,487 0.302,493 0.646,494 1.445,495 0.824,496 1.258,497 0.669,498 0.996,499 0.989,500 1.185,501 1.134,502 1.14,503 0.594,504 0.927,505 1.37,506 1,507 0.952,508 0.802,509 1.355,510 0.962,511 0.684,512 1.034,513 0.815,514 0.898,515 0.47,516 0.962,517 0.822,518 1.013,519 0.808,520 0.868,521 0.788,522 0.924,523 0.61,524 1.014,525 0.789,526 0.921,527 0.594,528 0.964,529 0.944,530 1.052,531 1.352,532 1.268,533 0.865,534 1.135,535 1.262,536 1.131,537 1.431,538 1.436,539 1.637,540 1.233,541 7,542 0.099,543 2.889,544 1.944,545 1.364,546 1.135,547 0.902,548 0.595,549 0.384,550 0.286,551 8233,552 23122,553 2.088,554 44.9,556 17,557 1,559 1,561 3,564 1.709,565 1.94,566 3.105,567 -0.272,568 1,569 1,573 83.548,574 1.705,575 3.743,576 4.857,577 5.176,578 5.217,579 5.217,580 2.46,581 4.431,582 4.728,583 3.296,584 1156.91,585 8.25,586 14726.5,588 1,590 1,591 275.121,592 1.596,593 4.673,594 0.233,595 0.007,596 0.066,597 0.047,598 0.034,599 0.029,600 0.021,601 0.015,602 0.011,603 0.012,604 0.476,605 0.33,606 1,607 0.936,608 131.362,609 0.053,610 -0.218,611 0.206,612 -0.081,613 -0.136,614 0.007,615 0.029,616 -0.061,617 -0.085,618 -0.064,619 0.232,620 0.035,621 -0.252,622 0.031,623 -0.137,624 0.055,625 -0.224,626 -0.048,627 0.056,628 -0.022,629 0.04,630 0.015,631 0.099,632 0.016,633 -0.037,634 0.022,635 0.055,636 0.034,637 -0.065,638 0.036,639 0.2,640 0.041,641 0.116,642 0.038,643 0.13,644 0.006,645 -0.093,646 0.05,647 -0.166,648 -0.105,649 -0.015,650 -0.131,651 -0.113,652 -0.186,653 -0.214,654 -0.259,655 -0.131,656 -0.204,657 4.118,658 4.842,659 0.778,660 22.453,661 1.009,662 1.128,663 2.117,664 4.481,665 0.671,666 3.434,667 3.807,668 4.025,669 4.331,670 4.543,671 4.691,672 4.883,673 5.043,674 5.081,675 5.198,676 5.717,677 0.636,678 386.52,679 3.434,680 5.004,681 5.849,682 6.751,683 7.613,684 8.517,685 9.388,686 10.292,687 11.168,688 12.071,689 8.2,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 49,733 18,734 1,735 30,737 52,738 19,739 12,740 3,741 3,746 4,747 5,752 1,755 1,758 1,761 12,762 7,766 2,769 1,771 2,777 1,778 1,781 22,782 6,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 27,851 1,854 4,856 1,858 1,859 1,870 6.1,873 2,874 1,877 13.917,878 9.35,879 5.653,880 2.84,881 3.225,882 1.428,883 1.003,884 4.829,885 10.76,886 3.714,887 4.379,888 4.872,889 5.519,890 6.05,891 6.469,892 6.97,893 7.433,894 7.698,895 8.133,896 0.833,897 41,898 10.174,900 4.568,901 7.806,902 19.266,904 16.37,905 2.306,906 62.25,909 1,910 247.193,911 105.996,912 53.481,914 55.313,916 6.046,917 99.95,918 302.506,919 53.481,920 16.016,921 12.19,922 62.475,923 88.884,924 30.753,925 16.243,926 235.422,928 247.193,929 153.431,930 55.313,931 6.046,933 214.208,934 79.626,935 11,937 40.558,938 76.974,939 39.617,941 247.193,942 108.794,943 105.996,945 6.046,946 247.193,947 27.505,948 75.569,949 16.786,950 88.884,951 247.193,952 108.794,953 105.996,955 0.596,956 0.321,957 0.177,958 0.094,959 23,960 10,961 0.077,962 4,963 1,964 1.095,965 3.787,966 241.044,967 0.095,968 21,969 126.382,973 1,974 18.268,975 7.137,976 4.095,977 2.096,978 92.008,979 11.596,980 9.295,981 3.167,984 2.64,986 16.786,987 461.982,988 40,991 -3.201,993 23.685,999 49.418,1000 55.278,1001 0.304,1002 0.667,1003 0.865,1004 0.922,1005 0.929,1006 0.929,1007 4.977,1008 1.414,1009 5.883,1010 4.309,1011 4.489,1012 5.066,1013 3.213,1014 6.727,1015 4.357,1016 6.227,1017 1.413,1018 7.465,1019 3.868,1020 4.29,1021 5.19,1022 0.325,1023 7.818,1024 4.053,1025 7.582,1026 1.078,1027 9.147,1028 3.09,1029 6.168,1030 7.4,1031 5.446,1032 10.803,1033 5.893,1034 8.974,1035 1,1036 10.887,1037 2.698,1038 6.723,1039 8.297,1040 0.268,1041 12.627,1042 6.334,1043 10.397,1044 0.409,1045 12.662,1046 2.354,1047 8.134,1048 10.055,1049 7.807,1050 15.174,1051 7.703,1052 11.839,1053 -0.099,1054 14.458,1055 1.012,1056 9.007,1057 11.272,1058 0.188,1059 17.277,1060 8.472,1061 13.297,1062 -0.157,1063 16.269,1064 -0.303,1065 10.241,1066 12.863,1067 10.177,1068 19.673,1069 9.654,1070 3.17,1071 -0.517,1072 18.091,1073 -0.367,1074 11.254,1075 14.221,1076 0.125,1077 21.891,1078 10.572,1079 3.049,1080 10.333,1081 19.921,1082 -1.474,1083 12.418,1084 15.745,1085 12.548,1086 24.23,1087 11.677,1088 2.943,1089 10.037,1090 21.755,1091 4.447,1092 13.492,1093 17.166,1094 0.082,1095 26.498,1096 12.667,1097 2.656,1098 9.512,1099 23.595,1100 4.389,1101 14.631,1102 18.663,1103 14.919,1104 28.817,1105 13.741,1106 2.229,1107 8.604,1108 25.437,1109 3.923,1110 15.733,1111 20.114,1112 0.054,1113 31.108,1114 14.765,1115 1.864,1116 6.74,1117 27.283,1118 3.232,1119 16.862,1120 21.6,1121 17.29,1122 33.42,1123 15.829,1124 1.534,1125 5.387,1126 29.13,1127 2.841,1128 17.978,1129 23.066,1130 0.035,1131 35.722,1132 16.872,1133 7855,1134 13303,1135 19.879,1136 32.887,1137 45.825,1138 48.357,1139 46.095,1140 45.642,1141 45.52,1142 60.229,1143 9.865,1144 135.887,1145 42.562,1146 5.649,1147 7.068,1148 6.203,1149 5.18,1150 5.17,1151 7.447,1152 6.545,1153 17.155,1154 4.973,1155 13.207,1156 1.527,1157 1.612,1158 1.536,1159 1.521,1160 1.517,1161 2.008,1162 0.329,1163 4.53,1164 1.419,1165 4.137,1166 4.169,1167 4.723,1168 4.063,1169 7.715,1170 4.053,1171 4.014,1172 4.011,1173 4.083,1174 3.995,1175 6.999,1176 3.886,1177 3.852,1178 3.868,1179 3.839,1180 3.691,1181 5.04,1182 3.681,1183 3.657,1184 3.694,1185 3.59,1186 3.489,1187 4.882,1188 3.495,1189 3.352,1190 3.401,1191 3.267,1192 3.243,1193 4.614,1194 3.238,1195 3.264,1196 3.35,1197 3.037,1198 3.087,1199 4.23,1200 3.063,1201 2.961,1202 3.033,1203 2.843,1204 2.846,1205 4.026,1206 2.838,1207 2.948,1208 3.02,1209 2.819,1210 2.687,1211 3.865,1212 2.695,1213 0.155,1214 0.169,1215 0.217,1216 0.136,1217 0.106,1218 4.649,1219 0.148,1220 5.068,1221 0.109,1222 6.518,1223 0.344,1224 4.077,1225 0.099,1226 3.17,1227 4.447,1228 3.272,1229 10.333,1230 2.973,1231 1.978,1232 1.959,1233 2.044,1234 2.091,1235 1.271,1236 2.09,1237 1.857,1238 1.866,1239 1.967,1240 1.982,1241 1.21,1242 1.989,1243 1.747,1244 1.715,1245 1.803,1246 1.907,1247 1.158,1248 1.959,1249 1.529,1250 1.5,1251 1.659,1252 1.725,1253 0.895,1254 1.725,1255 1.482,1256 1.421,1257 1.638,1258 1.669,1259 0.743,1260 1.676,1261 1.291,1262 1.208,1263 1.585,1264 1.519,1265 0.658,1266 1.563,1267 1.05,1268 1.008,1269 1.297,1270 1.217,1271 0.458,1272 1.25,1273 0.906,1274 0.817,1275 1.269,1276 1.204,1277 0.424,1278 1.226,1279 4.111,1281 5.468,1282 2.398,1283 7.002,1284 4.595,1285 8.617,1286 6.581,1287 10.275,1289 3.292,1295 1.851,1297 5.514,1299 0.166,1300 2.148,1305 31.158,1306 83.548,1307 183.398,1308 238.001,1309 253.611,1310 255.611,1311 255.611,1312 47.997,1313 7.535,1314 88.18,1315 96.56,1316 23,1317 12.596,1318 4.248,1319 3.459,1320 39.824,1321 92,1322 81,1323 0.212,1324 193.256,1325 325.52,1326 463.306,1327 17852,1329 19.018,1330 0.704,1331 0.599,1332 19.268,1333 16.161,1334 12.888,1335 0.43,1336 0.364,1337 8.905,1338 11.592,1339 8.451,1340 6.971,1341 13.815,1342 10.926,1343 12.808,1344 0.291,1345 0.208,1346 14.19,1347 9.148,1348 9.559,1349 0.174,1350 0.099,1351 10.009,1352 5.469,1353 8.513,1354 0.114,1355 0.054,1356 9.03,1357 4.047,1358 6.573,1359 0.071,1360 0.027,1361 6.93,1362 2.541,1363 0.322,1364 90.404,1365 0.224,1366 25.406,1367 0.615,1368 148,1369 443.335,1370 193.185,1371 444.669,1372 601.64,1373 412,1374 173,1375 419.45,1376 225.201,1377 453.388,1378 654.75,1379 422,1380 4.639}
{0 CHEMBL2030447,1 1.705,2 8.815,3 2.693,4 7.251,5 102.557,6 7.888,7 0.533,8 4.007,9 4.111,10 3.772,11 3.571,12 5.023,13 3.528,14 4.587,15 4.746,16 4.032,17 3.951,18 5.79,19 3.91,20 4.826,21 5.025,22 4.017,23 4.06,24 5.897,25 3.993,26 4.818,27 5.047,28 3.993,29 4.061,30 5.846,31 3.96,32 4.784,33 5.011,34 4.004,35 4.024,36 5.79,37 3.936,38 4.747,39 4.952,40 4.096,41 4.046,42 5.834,43 3.955,44 4.802,45 4.994,46 4.102,47 4.129,48 5.843,49 4.007,50 4.946,51 5.144,52 4.024,53 4.129,54 6.056,55 3.993,56 0.085,57 0.768,58 12.326,59 4.986,60 15.418,61 5.828,62 0.389,63 1.248,64 24.619,65 8.412,66 56.952,67 10.099,68 0.578,69 1.47,70 28.282,71 9.002,72 66.279,73 11.92,74 0.438,75 1.478,76 29.138,77 10.139,78 50.617,79 13.843,80 0.416,81 1.441,82 28.292,83 9.022,84 44.413,85 12.663,86 0.462,87 1.412,88 26.382,89 9.683,90 42.997,91 12.718,92 0.367,93 1.491,94 32.58,95 11.331,96 45.795,97 13.472,98 0.52,99 1.512,100 41.216,101 14.017,102 82.428,103 16.155,104 19,105 44,106 0.286,107 0.629,108 0.816,109 0.869,110 0.876,111 0.876,112 3.341,113 1.093,114 -3.35,115 -3.33,116 -3.19,119 38.8,120 1,124 1,125 4,127 1,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 6,180 3,183 5,186 1,187 5,192 2,195 4,198 3,199 8,204 1,207 3,211 1,212 5,220 2,223 4,224 5,227 2,232 3,236 1,237 6,245 3,250 8,253 1,255 1,258 2,262 2,263 4,271 1,275 1086,276 17.842,277 17.842,278 17.842,279 17.842,280 17.842,281 15.72,282 16.974,283 10.339,284 18.488,285 14.869,286 14.869,287 14.869,288 14.869,289 14.869,290 11.532,291 24.53,292 4.966,293 15.954,294 3.91,295 1.872,296 0.758,297 0.439,298 0.398,299 0.398,300 4.034,303 1,304 1,305 1,306 517,307 3.317,310 63.356,311 233.99,314 106.85,318 1.257,319 31.787,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 238,332 4.649,333 5.068,334 6.518,335 4.077,336 3.17,337 4.447,338 3.272,339 10.333,340 2.973,341 4.474,342 3.294,343 6.433,344 3.965,345 3.049,346 4.389,347 0.86,348 10.037,349 2.815,350 4.275,351 3.004,352 6.279,353 3.892,354 2.943,355 3.923,356 0.8,357 9.512,358 2.643,359 3.912,360 2.796,361 6.006,362 3.607,363 2.656,364 3.232,366 8.604,367 2.517,368 3.572,369 2.51,370 5.311,371 3.199,372 2.229,373 2.841,375 6.74,376 2.15,377 3.114,378 2.306,379 4.891,380 2.797,381 1.864,382 2.301,384 5.387,385 1.735,386 3.034,387 1.9,388 4.427,389 2.524,390 1.534,391 2.247,393 4.309,394 1.517,395 2.868,396 1.714,397 4.252,398 2.362,399 1.414,400 2.025,402 3.868,403 1.336,404 2.525,405 1.534,406 3.874,407 2.326,408 1.413,409 1.537,411 3.09,412 1.281,413 2.414,414 1.437,415 3.581,416 2.006,417 1.078,418 1.414,420 2.698,421 0.998,422 2.173,423 1.298,424 3.435,425 1.926,426 1,427 1.148,428 2.354,429 0.917,430 1.902,431 1.022,432 3.135,433 1.381,434 0.409,435 0.609,436 1.012,437 0.397,438 1.203,439 0.41,440 3.04,441 0.817,442 -0.099,443 -0.121,445 -0.303,446 -0.088,447 1,448 0.153,449 2.706,450 0.779,451 -0.157,452 -0.166,454 -0.367,455 -0.146,456 0.981,457 0.099,458 2.619,459 0.446,460 -0.517,461 -0.686,463 -1.474,464 -0.494,465 12.933,466 0.479,467 0.87,468 0.032,469 35.75,470 1.324,471 17.5,472 0.648,473 18.25,474 0.676,475 22.92,476 0.849,477 29.667,478 0.605,479 26.62,480 0.986,481 6.686,482 0.248,483 6.202,484 0.23,485 0.129,486 0.064,487 0.302,493 0.646,494 1.445,495 0.824,496 1.258,497 0.669,498 0.996,499 0.989,500 1.185,501 1.134,502 1.14,503 0.594,504 0.927,505 1.37,506 1,507 0.952,508 0.802,509 1.355,510 0.962,511 0.684,512 1.034,513 0.815,514 0.898,515 0.47,516 0.962,517 0.822,518 1.013,519 0.808,520 0.868,521 0.788,522 0.924,523 0.61,524 1.014,525 0.789,526 0.921,527 0.594,528 0.964,529 0.944,530 1.052,531 1.352,532 1.268,533 0.865,534 1.135,535 1.262,536 1.131,537 1.431,538 1.436,539 1.637,540 1.233,541 7,542 0.099,543 2.889,544 1.944,545 1.364,546 1.135,547 0.902,548 0.595,549 0.384,550 0.286,551 8233,552 23122,553 2.088,554 44.9,556 17,557 1,559 1,561 3,564 1.709,565 1.94,566 3.105,567 -0.272,568 1,569 1,573 83.548,574 1.705,575 3.743,576 4.857,577 5.176,578 5.217,579 5.217,580 2.46,581 4.431,582 4.728,583 3.296,584 1156.91,585 8.25,586 14726.5,588 1,590 1,591 275.121,592 1.596,593 4.673,594 0.233,595 0.007,596 0.066,597 0.047,598 0.034,599 0.029,600 0.021,601 0.015,602 0.011,603 0.012,604 0.476,605 0.33,606 1,607 0.936,608 131.362,609 0.053,610 -0.218,611 0.206,612 -0.081,613 -0.136,614 0.007,615 0.029,616 -0.061,617 -0.085,618 -0.064,619 0.232,620 0.035,621 -0.252,622 0.031,623 -0.137,624 0.055,625 -0.224,626 -0.048,627 0.056,628 -0.022,629 0.04,630 0.015,631 0.099,632 0.016,633 -0.037,634 0.022,635 0.055,636 0.034,637 -0.065,638 0.036,639 0.2,640 0.041,641 0.116,642 0.038,643 0.13,644 0.006,645 -0.093,646 0.05,647 -0.166,648 -0.105,649 -0.015,650 -0.131,651 -0.113,652 -0.186,653 -0.214,654 -0.259,655 -0.131,656 -0.204,657 4.118,658 4.842,659 0.778,660 22.453,661 1.009,662 1.128,663 2.117,664 4.481,665 0.671,666 3.434,667 3.807,668 4.025,669 4.331,670 4.543,671 4.691,672 4.883,673 5.043,674 5.081,675 5.198,676 5.717,677 0.636,678 386.52,679 3.434,680 5.004,681 5.849,682 6.751,683 7.613,684 8.517,685 9.388,686 10.292,687 11.168,688 12.071,689 8.2,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 49,733 18,734 1,735 30,737 52,738 19,739 12,740 3,741 3,746 4,747 5,752 1,755 1,758 1,761 12,762 7,766 2,769 1,771 2,777 1,778 1,781 22,782 6,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 27,851 1,854 4,856 1,858 1,859 1,870 6.1,873 2,874 1,877 13.917,878 9.35,879 5.653,880 2.84,881 3.225,882 1.428,883 1.003,884 4.829,885 10.76,886 3.714,887 4.379,888 4.872,889 5.519,890 6.05,891 6.469,892 6.97,893 7.433,894 7.698,895 8.133,896 0.833,897 41,898 10.174,900 4.568,901 7.806,902 19.266,904 16.37,905 2.306,906 62.25,909 1,910 247.193,911 105.996,912 53.481,914 55.313,916 6.046,917 99.95,918 302.506,919 53.481,920 16.016,921 12.19,922 62.475,923 88.884,924 30.753,925 16.243,926 235.422,928 247.193,929 153.431,930 55.313,931 6.046,933 214.208,934 79.626,935 11,937 40.558,938 76.974,939 39.617,941 247.193,942 108.794,943 105.996,945 6.046,946 247.193,947 27.505,948 75.569,949 16.786,950 88.884,951 247.193,952 108.794,953 105.996,955 0.596,956 0.321,957 0.177,958 0.094,959 23,960 10,961 0.077,962 4,963 1,964 1.095,965 3.787,966 241.044,967 0.095,968 21,969 126.382,973 1,974 18.268,975 7.137,976 4.095,977 2.096,978 92.008,979 11.596,980 9.295,981 3.167,984 2.64,986 16.786,987 461.982,988 40,991 -3.201,993 23.685,999 49.418,1000 55.278,1001 0.304,1002 0.667,1003 0.865,1004 0.922,1005 0.929,1006 0.929,1007 4.977,1008 1.414,1009 5.883,1010 4.309,1011 4.489,1012 5.066,1013 3.213,1014 6.727,1015 4.357,1016 6.227,1017 1.413,1018 7.465,1019 3.868,1020 4.29,1021 5.19,1022 0.325,1023 7.818,1024 4.053,1025 7.582,1026 1.078,1027 9.147,1028 3.09,1029 6.168,1030 7.4,1031 5.446,1032 10.803,1033 5.893,1034 8.974,1035 1,1036 10.887,1037 2.698,1038 6.723,1039 8.297,1040 0.268,1041 12.627,1042 6.334,1043 10.397,1044 0.409,1045 12.662,1046 2.354,1047 8.134,1048 10.055,1049 7.807,1050 15.174,1051 7.703,1052 11.839,1053 -0.099,1054 14.458,1055 1.012,1056 9.007,1057 11.272,1058 0.188,1059 17.277,1060 8.472,1061 13.297,1062 -0.157,1063 16.269,1064 -0.303,1065 10.241,1066 12.863,1067 10.177,1068 19.673,1069 9.654,1070 3.17,1071 -0.517,1072 18.091,1073 -0.367,1074 11.254,1075 14.221,1076 0.125,1077 21.891,1078 10.572,1079 3.049,1080 10.333,1081 19.921,1082 -1.474,1083 12.418,1084 15.745,1085 12.548,1086 24.23,1087 11.677,1088 2.943,1089 10.037,1090 21.755,1091 4.447,1092 13.492,1093 17.166,1094 0.082,1095 26.498,1096 12.667,1097 2.656,1098 9.512,1099 23.595,1100 4.389,1101 14.631,1102 18.663,1103 14.919,1104 28.817,1105 13.741,1106 2.229,1107 8.604,1108 25.437,1109 3.923,1110 15.733,1111 20.114,1112 0.054,1113 31.108,1114 14.765,1115 1.864,1116 6.74,1117 27.283,1118 3.232,1119 16.862,1120 21.6,1121 17.29,1122 33.42,1123 15.829,1124 1.534,1125 5.387,1126 29.13,1127 2.841,1128 17.978,1129 23.066,1130 0.035,1131 35.722,1132 16.872,1133 7855,1134 13303,1135 19.879,1136 32.887,1137 45.825,1138 48.357,1139 46.095,1140 45.642,1141 45.52,1142 60.229,1143 9.865,1144 135.887,1145 42.562,1146 5.649,1147 7.068,1148 6.203,1149 5.18,1150 5.17,1151 7.447,1152 6.545,1153 17.155,1154 4.973,1155 13.207,1156 1.527,1157 1.612,1158 1.536,1159 1.521,1160 1.517,1161 2.008,1162 0.329,1163 4.53,1164 1.419,1165 4.137,1166 4.169,1167 4.723,1168 4.063,1169 7.715,1170 4.053,1171 4.014,1172 4.011,1173 4.083,1174 3.995,1175 6.999,1176 3.886,1177 3.852,1178 3.868,1179 3.839,1180 3.691,1181 5.04,1182 3.681,1183 3.657,1184 3.694,1185 3.59,1186 3.489,1187 4.882,1188 3.495,1189 3.352,1190 3.401,1191 3.267,1192 3.243,1193 4.614,1194 3.238,1195 3.264,1196 3.35,1197 3.037,1198 3.087,1199 4.23,1200 3.063,1201 2.961,1202 3.033,1203 2.843,1204 2.846,1205 4.026,1206 2.838,1207 2.948,1208 3.02,1209 2.819,1210 2.687,1211 3.865,1212 2.695,1213 0.155,1214 0.169,1215 0.217,1216 0.136,1217 0.106,1218 4.649,1219 0.148,1220 5.068,1221 0.109,1222 6.518,1223 0.344,1224 4.077,1225 0.099,1226 3.17,1227 4.447,1228 3.272,1229 10.333,1230 2.973,1231 1.978,1232 1.959,1233 2.044,1234 2.091,1235 1.271,1236 2.09,1237 1.857,1238 1.866,1239 1.967,1240 1.982,1241 1.21,1242 1.989,1243 1.747,1244 1.715,1245 1.803,1246 1.907,1247 1.158,1248 1.959,1249 1.529,1250 1.5,1251 1.659,1252 1.725,1253 0.895,1254 1.725,1255 1.482,1256 1.421,1257 1.638,1258 1.669,1259 0.743,1260 1.676,1261 1.291,1262 1.208,1263 1.585,1264 1.519,1265 0.658,1266 1.563,1267 1.05,1268 1.008,1269 1.297,1270 1.217,1271 0.458,1272 1.25,1273 0.906,1274 0.817,1275 1.269,1276 1.204,1277 0.424,1278 1.226,1279 4.111,1281 5.468,1282 2.398,1283 7.002,1284 4.595,1285 8.617,1286 6.581,1287 10.275,1289 3.292,1295 1.851,1297 5.514,1299 0.166,1300 2.148,1305 31.158,1306 83.548,1307 183.398,1308 238.001,1309 253.611,1310 255.611,1311 255.611,1312 47.997,1313 7.535,1314 88.18,1315 96.56,1316 23,1317 12.596,1318 4.248,1319 3.459,1320 39.824,1321 92,1322 81,1323 0.212,1324 193.256,1325 325.52,1326 463.306,1327 17852,1329 19.018,1330 0.704,1331 0.599,1332 19.268,1333 16.161,1334 12.888,1335 0.43,1336 0.364,1337 8.905,1338 11.592,1339 8.451,1340 6.971,1341 13.815,1342 10.926,1343 12.808,1344 0.291,1345 0.208,1346 14.19,1347 9.148,1348 9.559,1349 0.174,1350 0.099,1351 10.009,1352 5.469,1353 8.513,1354 0.114,1355 0.054,1356 9.03,1357 4.047,1358 6.573,1359 0.071,1360 0.027,1361 6.93,1362 2.541,1363 0.322,1364 90.404,1365 0.224,1366 25.406,1367 0.615,1368 148,1369 443.335,1370 193.185,1371 444.669,1372 601.64,1373 412,1374 173,1375 419.45,1376 225.201,1377 453.388,1378 654.75,1379 422,1380 5.276}
{0 CHEMBL2030448,1 1.698,2 8.929,3 2.834,4 8.029,5 105.02,6 7.971,7 0.5,8 4.043,9 4.143,10 3.817,11 3.626,12 5.028,13 3.585,14 4.647,15 4.795,16 4.113,17 4.039,18 5.825,19 3.999,20 4.924,21 5.126,22 4.05,23 4.132,24 5.95,25 4.052,26 4.843,27 5.091,28 3.971,29 4.061,30 5.822,31 3.95,32 4.724,33 4.944,34 4.03,35 3.993,36 5.738,37 3.922,38 4.699,39 4.879,40 4.113,41 4.049,42 5.829,43 3.973,44 4.82,45 5.016,46 4.123,47 4.147,48 5.841,49 4.034,50 4.932,51 5.12,52 4.083,53 4.154,54 6.016,55 4.026,56 0.084,57 0.792,58 12.313,59 5.146,60 15.588,61 5.94,62 0.354,63 1.333,64 24.892,65 9.052,66 54.785,67 10.724,68 0.65,69 1.589,70 31.431,71 10.399,72 72.329,73 13.368,74 0.442,75 1.526,76 30.438,77 10.314,78 50.66,79 14.318,80 0.368,81 1.38,82 26.387,83 8.655,84 37.667,85 11.894,86 0.461,87 1.401,88 23.601,89 8.8,90 42.113,91 11.191,92 0.347,93 1.514,94 33.592,95 11.813,96 42.212,97 14.046,98 0.54,99 1.533,100 36.191,101 13.047,102 85.075,103 15.012,104 12,105 48,106 0.283,107 0.622,108 0.786,109 0.825,110 0.831,111 0.831,112 3.376,113 1.08,114 -3.57,115 -3.55,116 -3.38,119 40,121 2,124 1,125 3,127 2,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 6,174 3,175 7,180 3,183 5,186 1,187 6,192 2,195 4,198 3,199 7,204 1,207 2,211 1,212 7,220 4,223 4,224 4,227 2,232 2,236 1,237 8,245 3,250 6,253 1,255 1,258 4,262 2,263 8,271 4,275 1178,276 18.685,277 18.685,278 18.685,279 18.685,280 18.685,281 16.563,282 17.549,283 10.701,284 19.296,285 15.902,286 15.902,287 15.902,288 15.902,289 15.902,290 12.561,291 25.601,292 5.21,293 16.982,294 3.946,295 1.914,296 0.927,297 0.695,298 0.655,299 0.655,300 4.084,304 1,305 1,306 562,307 3.391,310 130.402,311 227.42,312 88.084,314 110.02,318 1.301,319 32.987,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 250,332 4.649,333 5.068,334 6.474,335 4.07,336 3.167,337 4.447,338 3.272,339 10.265,340 2.97,341 4.473,342 3.321,343 6.345,344 3.965,345 3.043,346 4.389,347 0.86,348 9.81,349 2.804,350 4.263,351 3.05,352 6.21,353 3.894,354 2.949,355 3.919,356 0.8,357 9.349,358 2.66,359 3.927,360 2.896,361 5.98,362 3.669,363 2.724,364 3.219,366 8.58,367 2.55,368 3.673,369 2.637,370 5.58,371 3.371,372 2.421,373 2.877,375 7.563,376 2.297,377 3.394,378 2.509,379 5.165,380 3.05,381 2.103,382 2.572,384 6.394,385 1.978,386 3.034,387 2.093,388 4.879,389 2.839,390 1.879,391 2.301,393 5.638,394 1.794,395 2.898,396 1.866,397 4.447,398 2.524,399 1.534,400 2.074,402 4.357,403 1.517,404 2.879,405 1.534,406 4.318,407 2.396,408 1.455,409 1.879,411 4.052,412 1.366,413 2.543,414 1.474,415 4.14,416 2.165,417 1.223,418 1.561,420 3.481,421 1.15,422 2.443,423 1.315,424 3.435,425 1.98,426 1.018,427 1.43,428 2.358,429 0.977,430 1.902,431 1.021,432 3.272,433 1.609,434 0.685,435 0.691,436 1.675,437 0.626,438 1.695,439 0.964,440 3.135,441 1.381,442 0.409,443 0.609,445 1.011,446 0.397,447 1.202,448 0.41,449 3.04,450 0.817,451 -0.1,452 -0.122,454 -0.314,455 -0.089,456 1,457 0.1,458 2.746,459 0.602,460 -0.347,461 -0.347,463 -1.042,464 -0.327,465 13.433,466 0.48,467 0.917,468 0.033,469 36.75,470 1.313,471 17.5,472 0.625,473 19.25,474 0.688,475 24.244,476 0.866,477 30.367,478 0.607,479 26.692,480 0.953,481 6.62,482 0.236,483 6.807,484 0.243,485 0.087,486 0.062,487 0.328,493 0.635,494 1.385,495 0.804,496 1.211,497 0.647,498 0.958,499 0.927,500 1.195,501 1.118,502 1.188,503 0.556,504 0.978,505 1.438,506 1.037,507 0.979,508 0.838,509 1.304,510 1.01,511 0.583,512 0.954,513 0.794,514 0.846,515 0.431,516 0.913,517 0.801,518 1.043,519 0.732,520 0.839,521 0.79,522 0.842,523 0.76,524 1.026,525 0.914,526 0.954,527 0.709,528 1.031,529 0.867,530 1.061,531 1.291,532 1.252,533 0.805,534 1.06,535 1.392,536 1.055,537 1.28,538 1.239,539 1.807,540 1.218,541 8,542 0.123,543 2.444,544 1.729,545 1.448,546 0.99,547 0.795,548 0.548,549 0.477,550 0.334,551 9788,552 25783,553 2.168,554 44,556 16,557 1,559 1,561 4,564 1.718,565 2.036,566 3.151,567 -0.288,568 1,569 1,573 84.892,574 1.698,575 3.729,576 4.717,577 4.949,578 4.989,579 4.989,580 2.504,581 4.164,582 4.781,583 3.343,584 1263.68,585 8.351,586 16493.7,588 1,590 1,591 282.193,592 1.526,593 4.738,594 0.25,595 0.008,596 0.051,597 0.041,598 0.037,599 0.024,600 0.018,601 0.013,602 0.013,603 0.011,604 0.466,605 0.33,606 0.88,607 0.86,608 138.05,609 0.052,610 -0.182,611 0.205,612 -0.06,613 -0.12,614 0.025,615 0.051,616 -0.079,617 -0.104,618 -0.127,619 0.239,620 -0.024,621 -0.26,622 -0.054,623 -0.153,624 0.025,625 -0.211,626 -0.088,627 0.083,628 0.054,629 0.079,630 0.054,631 0.119,632 0.067,633 0.005,634 -0.012,635 0.147,636 0.075,637 -0.033,638 0.12,639 0.124,640 0.09,641 -0.016,642 -0.008,643 0.069,644 -0.101,645 -0.035,646 0.005,647 -0.101,648 -0.092,649 0.035,650 -0.046,651 -0.185,652 -0.102,653 -0.185,654 -0.156,655 -0.239,656 -0.226,657 4.114,658 4.892,659 0.821,660 23.857,661 1.008,662 1.126,663 2.344,664 5.496,665 0.678,666 3.497,667 3.892,668 4.127,669 4.466,670 4.691,671 4.868,672 5.063,673 5.204,674 5.342,675 5.485,676 5.889,677 0.643,678 398.53,679 3.497,680 5.081,681 5.938,682 6.849,683 7.72,684 8.631,685 9.51,686 10.419,687 11.303,688 12.211,689 8,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 50,733 18,734 1,735 32,737 54,738 20,739 12,740 3,741 3,746 5,747 7,755 4,758 4,761 12,762 8,766 2,769 1,771 2,778 1,781 22,782 6,783 1,784 8,785 1,790 4,794 0.6,795 3,801 1,806 1,807 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,844 1,848 28,851 1,854 5,856 1,858 2,859 1,870 6,873 2,874 1,877 13.75,878 9.183,879 5.708,880 2.985,881 3.188,882 1.401,883 1.039,884 4.329,885 11.143,886 3.761,887 4.428,888 4.917,889 5.558,890 6.084,891 6.501,892 7.002,893 7.461,894 7.766,895 8.192,896 0.833,897 42,898 10.579,900 4.881,901 7.753,902 20.241,904 17.897,905 2.253,906 63.083,909 1,910 247.193,911 95.16,912 53.481,914 55.313,916 6.046,917 89.114,918 302.506,919 53.481,920 7.19,921 10.18,922 62.475,923 88.884,924 30.753,925 16.243,926 235.422,928 247.193,929 142.595,930 55.313,931 6.046,933 202.437,934 91.397,935 11,937 29.722,938 76.974,939 39.617,941 247.193,942 108.794,943 95.16,945 6.046,946 247.193,947 25.495,948 66.743,949 16.786,950 88.884,951 247.193,952 108.794,953 95.16,955 0.602,956 0.321,957 0.18,958 0.096,959 27,960 11,961 0.074,962 4,963 3,964 1.217,965 3.959,966 261.791,967 0.261,968 22,969 126.606,973 1,974 17.958,975 6.749,976 3.769,977 2.113,978 92.008,979 11.684,980 9.37,981 3.178,984 2.728,986 16.786,987 451.147,988 42,991 -3.197,993 23.784,999 50.418,1000 56.278,1001 0.301,1002 0.661,1003 0.836,1004 0.877,1005 0.884,1006 0.884,1007 5.043,1008 1.534,1009 5.974,1010 5.638,1011 4.575,1012 5.115,1013 3.213,1014 6.819,1015 4.448,1016 6.288,1017 1.455,1018 7.551,1019 4.357,1020 4.369,1021 5.223,1022 0.325,1023 7.861,1024 4.123,1025 7.641,1026 1.223,1027 9.224,1028 4.052,1029 6.256,1030 7.427,1031 5.446,1032 10.847,1033 5.985,1034 9.026,1035 1.018,1036 10.949,1037 3.481,1038 6.792,1039 8.311,1040 0.268,1041 12.617,1042 6.395,1043 10.442,1044 0.685,1045 12.707,1046 2.358,1047 8.205,1048 10.066,1049 7.807,1050 15.156,1051 7.777,1052 11.878,1053 0.409,1054 14.486,1055 1.675,1056 9.062,1057 11.277,1058 0.188,1059 17.221,1060 8.519,1061 13.329,1062 -0.1,1063 16.279,1064 1.011,1065 10.295,1066 12.867,1067 10.177,1068 19.603,1069 9.707,1070 3.167,1071 -0.347,1072 18.083,1073 -0.314,1074 11.295,1075 14.222,1076 0.125,1077 21.795,1078 10.607,1079 3.043,1080 10.265,1081 19.895,1082 -1.042,1083 12.456,1084 15.745,1085 12.548,1086 24.119,1087 11.713,1088 2.949,1089 9.81,1090 21.713,1091 4.447,1092 13.522,1093 17.166,1094 0.082,1095 26.367,1096 12.691,1097 2.724,1098 9.349,1099 23.535,1100 4.389,1101 14.657,1102 18.662,1103 14.919,1104 28.671,1105 13.763,1106 2.421,1107 8.58,1108 25.362,1109 3.919,1110 15.753,1111 20.113,1112 0.054,1113 30.946,1114 14.78,1115 2.103,1116 7.563,1117 27.193,1118 3.219,1119 16.878,1120 21.599,1121 17.29,1122 33.246,1123 15.841,1124 1.879,1125 6.394,1126 29.026,1127 2.877,1128 17.989,1129 23.064,1130 0.035,1131 35.534,1132 16.878,1133 8996,1134 14751,1135 21.671,1136 33.887,1137 49.423,1138 52.003,1139 48.84,1140 49.369,1141 49.219,1142 63.939,1143 9.865,1144 149.069,1145 46.175,1146 5.649,1147 7.068,1148 5.983,1149 5.176,1150 5.167,1151 7.447,1152 6.545,1153 16.899,1154 4.97,1155 11.778,1156 1.544,1157 1.625,1158 1.526,1159 1.543,1160 1.538,1161 1.998,1162 0.308,1163 4.658,1164 1.443,1165 4.139,1166 4.171,1167 4.723,1168 4.064,1169 7.715,1170 4.054,1171 4.019,1172 4.029,1173 4.084,1174 3.995,1175 6.999,1176 3.891,1177 3.923,1178 3.929,1179 3.877,1180 3.773,1181 5.04,1182 3.763,1183 3.719,1184 3.742,1185 3.699,1186 3.578,1187 4.883,1188 3.574,1189 3.373,1190 3.425,1191 3.288,1192 3.26,1193 4.657,1194 3.257,1195 3.169,1196 3.255,1197 3.03,1198 2.959,1199 4.23,1200 2.958,1201 3.093,1202 3.176,1203 2.89,1204 2.951,1205 4.004,1206 2.926,1207 2.961,1208 3.025,1209 2.841,1210 2.844,1211 3.802,1212 2.836,1213 0.145,1214 0.158,1215 0.202,1216 0.127,1217 0.099,1218 4.649,1219 0.139,1220 5.068,1221 0.102,1222 6.474,1223 0.321,1224 4.07,1225 0.093,1226 3.167,1227 4.447,1228 3.272,1229 10.265,1230 2.97,1231 1.977,1232 1.958,1233 2.04,1234 2.084,1235 1.255,1236 2.085,1237 1.854,1238 1.866,1239 1.907,1240 1.961,1241 1.253,1242 1.986,1243 1.7,1244 1.673,1245 1.86,1246 1.878,1247 1.182,1248 1.908,1249 1.604,1250 1.543,1251 1.77,1252 1.76,1253 1.158,1254 1.798,1255 1.501,1256 1.468,1257 1.659,1258 1.715,1259 0.742,1260 1.709,1261 1.48,1262 1.421,1263 1.583,1264 1.659,1265 0.658,1266 1.667,1267 1.05,1268 1.008,1269 1.27,1270 1.212,1271 0.496,1272 1.245,1273 0.895,1274 0.807,1275 1.215,1276 1.162,1277 0.435,1278 1.171,1279 4.174,1281 5.549,1282 3.045,1283 7.089,1284 5.352,1285 8.706,1286 7.38,1287 10.367,1289 1.231,1295 3.599,1297 5.93,1299 0.457,1300 2.206,1305 32.158,1306 84.892,1307 186.47,1308 235.828,1309 247.438,1310 249.438,1311 249.438,1312 46.92,1313 7.956,1314 88.18,1315 96.56,1316 28,1317 12.732,1318 4.248,1319 3.459,1320 37.35,1321 99,1322 86,1323 0.184,1324 195.455,1325 330.46,1326 468.671,1327 30520,1329 19.303,1330 0.689,1331 0.587,1332 19.553,1333 16.445,1334 13.427,1335 0.42,1336 0.36,1337 9.51,1338 12.153,1339 9.107,1340 7.443,1341 14.354,1342 11.525,1343 13.659,1344 0.285,1345 0.206,1346 15.041,1347 9.893,1348 10.364,1349 0.17,1350 0.101,1351 10.815,1352 6.175,1353 9.447,1354 0.11,1355 0.056,1356 9.964,1357 4.796,1358 7.414,1359 0.069,1360 0.029,1361 7.771,1362 3.179,1363 0.281,1364 93.49,1365 0.215,1366 26.248,1367 0.531,1368 160,1369 455.335,1370 206.18,1371 456.81,1372 623.58,1373 424,1374 189,1375 442.916,1376 242.364,1377 474.891,1378 689.8,1379 444,1380 4.319}
{0 CHEMBL2030449,1 1.86,2 10.357,3 1.405,4 1.975,5 105.888,6 8.531,7 0.4,8 4.025,9 4.112,10 3.955,11 3.587,12 5.045,13 3.529,14 4.614,15 4.758,16 4.109,17 3.921,18 6.038,19 3.878,20 4.844,21 5.032,22 4.055,23 4.02,24 6.034,25 3.957,26 4.762,27 4.979,28 4.082,29 4.03,30 5.907,31 3.932,32 4.782,33 4.98,34 4.092,35 4.029,36 5.956,37 3.956,38 4.759,39 4.948,40 4.088,41 4.034,42 5.921,43 3.933,44 4.792,45 4.997,46 4.097,47 4.052,48 5.849,49 3.923,50 4.877,51 5.073,52 4.015,53 3.983,54 6.154,55 3.862,56 0.172,57 0.803,58 13.991,59 5.445,60 29.898,61 5.749,62 0.702,63 1.239,64 29.083,65 9.108,66 97.957,67 9.964,68 0.955,69 1.417,70 29.171,71 8.972,72 122.041,73 10.871,74 0.544,75 1.41,76 29.373,77 10.141,78 56.966,79 12.932,80 0.647,81 1.399,82 28.95,83 9.374,84 74.81,85 11.875,86 0.647,87 1.369,88 25.253,89 10.069,90 67.438,91 12.508,92 0.551,93 1.414,94 34.622,95 11.279,96 59.723,97 13.487,98 0.903,99 1.335,100 37.948,101 12.241,102 127.609,103 13.969,104 45,105 44,106 0.312,107 0.601,108 0.756,109 0.802,110 0.802,111 0.802,112 3.375,113 1.251,114 -2.4,115 -2.43,116 -2.38,119 34,124 2,125 5,142 5,143 1,144 1,146 1,147 1,149 1,172 4,174 4,175 5,178 2,180 2,183 4,186 1,187 4,192 2,195 2,198 3,199 11,204 1,207 1,211 1,212 7,220 2,223 4,224 6,227 2,232 2,236 1,237 5,249 4,250 6,253 1,255 1,262 2,263 2,275 1330,276 17.79,277 17.79,278 17.79,279 17.79,280 17.79,281 15.704,282 20.266,283 10.367,284 18.5,285 14.902,286 14.902,287 14.902,288 14.902,289 14.902,290 11.569,291 24.829,292 5.04,293 16.106,294 3.784,295 2.064,296 1.142,297 0.87,298 0.87,299 0.87,300 4.05,304 1,305 1,306 603,307 4.123,311 288.694,318 1.643,319 46.154,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 63,331 290,332 4.649,333 5.068,334 6.471,335 4.08,336 3.162,337 4.446,338 3.272,339 10.253,340 2.933,341 4.643,342 4.311,343 6.455,344 4.04,345 3.138,346 4.441,347 0.86,348 10.195,349 2.856,350 4.344,351 3.184,352 6.286,353 3.891,354 2.973,355 4.013,356 0.8,357 9.606,358 2.645,359 3.995,360 2.858,361 6.02,362 3.653,363 2.702,364 3.533,366 8.647,367 2.549,368 3.658,369 2.65,370 5.264,371 3.281,372 2.33,373 2.961,375 6.744,376 2.206,377 3.459,378 2.416,379 5.146,380 3.076,381 2.111,382 2.727,384 6.366,385 2.027,386 2.933,387 2.276,388 4.446,389 2.641,390 1.738,391 2.022,393 4.442,394 1.565,395 2.751,396 1.848,397 4.211,398 2.283,399 1.343,400 1.833,402 3.743,403 1.257,404 2.5,405 1.457,406 3.492,407 2,408 1.049,409 1.5,411 2.597,412 1,413 2.2,414 1.278,415 3.414,416 1.952,417 1,418 1.175,420 2.275,421 0.946,422 2,423 1.256,424 3.247,425 1.936,426 1,427 1,428 2.136,429 0.924,430 1.347,431 1,432 3.139,433 1.004,434 0.045,435 0.055,436 0.123,437 0.043,438 1.198,439 0.754,440 3.129,441 0.816,442 -0.101,443 -0.122,445 -0.315,446 -0.09,447 1,448 0.1,449 2.643,450 0.446,451 -0.492,452 -0.569,454 -1.282,455 -0.459,456 1,457 0.056,458 2.516,459 0.287,460 -0.667,461 -0.807,463 -1.954,464 -0.622,465 13.433,466 0.48,467 1.083,468 0.039,469 37.5,470 1.339,471 19,472 0.679,473 18.5,474 0.661,475 23.01,476 0.822,477 32.167,478 0.643,479 29.934,480 1.069,481 6.955,482 0.248,483 6.135,484 0.219,485 0.174,486 0.124,487 0.216,493 0.55,494 1.589,495 0.851,496 1.438,497 0.673,498 1.055,499 0.84,500 1.223,501 1.228,502 1.243,503 0.527,504 0.976,505 1.439,506 0.928,507 0.909,508 0.669,509 1.373,510 0.938,511 0.544,512 1.066,513 0.787,514 0.918,515 0.43,516 0.946,517 0.91,518 1.008,519 0.84,520 0.875,521 0.869,522 0.953,523 0.668,524 1.015,525 0.755,526 0.899,527 0.69,528 1.096,529 0.702,530 1.109,531 1.095,532 1.204,533 0.589,534 1.113,535 1.046,536 1.085,537 1.103,538 1.181,539 1.177,540 1.191,541 9,542 0.178,543 2.444,544 1.875,545 1.467,546 1.278,547 0.931,548 0.571,549 0.345,550 0.351,551 8964,552 32446,553 1.976,554 44,556 21,559 1,564 1.715,565 1.806,566 3.289,567 -0.182,568 1,569 1,573 92.989,574 1.86,575 3.579,576 4.501,577 4.774,578 4.774,579 4.774,580 2.753,581 3.941,582 4.774,583 3.539,584 1337.79,585 8.329,586 17782.7,588 1,590 1,591 282.193,592 1.724,593 4.698,594 0.3,595 0.01,596 0.056,597 0.048,598 0.036,599 0.031,600 0.024,601 0.015,602 0.01,603 0.016,604 0.546,605 0.33,606 0.88,607 1.192,608 140.122,609 0.088,610 -0.284,611 0.272,612 -0.139,613 -0.151,614 -0.006,615 0.117,616 -0.077,617 -0.158,618 -0.132,619 0.295,620 -0.002,621 -0.354,622 0.071,623 -0.164,624 0.121,625 -0.288,626 -0.046,627 0.074,628 -0.018,629 0.061,630 0.006,631 0.11,632 0.055,633 -0.11,634 0.032,635 -0.033,636 0.008,637 -0.086,638 0.008,639 0.085,640 0.013,641 0.003,642 -0.024,643 0.008,644 -0.121,645 -0.006,646 -0.053,647 -0.055,648 -0.124,649 0.028,650 -0.078,651 -0.007,652 -0.16,653 -0.114,654 -0.181,655 -0.046,656 -0.192,657 4.286,658 4.754,659 0.643,660 28.5,661 1.023,662 1.132,663 1.166,664 1.359,665 0.669,666 3.434,667 3.807,668 3.892,669 4.19,670 4.419,671 4.522,672 4.727,673 4.844,674 4.844,675 4.949,676 6.46,677 0.636,678 426.57,679 3.434,680 5.004,681 5.808,682 6.708,683 7.533,684 8.433,685 9.271,686 10.17,687 11.016,688 11.914,689 8,694 1,695 1,699 2,704 5,705 2,709 5,711 12,726 1,731 50,733 16,734 1,735 30,737 52,738 17,739 10,740 2,741 4,746 3,747 3,761 10,762 7,766 4,769 2,771 4,778 1,781 22,782 9,783 1,784 11,785 2,790 4,794 1,795 5,806 1,812 3,839 1,840 3,842 2,844 2,848 28,851 1,852 1,854 5,855 1,856 1,859 1,870 10,873 4,874 1,877 15.5,878 9.433,879 5.806,880 2.658,881 2.511,882 1.347,883 0.974,884 6.13,885 9.743,886 3.714,887 4.369,888 4.635,889 5.254,890 5.806,891 6.122,892 6.591,893 6.994,894 7.209,895 7.58,896 0.857,897 39,898 10.717,900 4.931,901 8.131,902 19.535,904 16.276,905 2.631,906 73.667,910 247.193,911 101.266,912 53.1,914 99.626,916 11.853,917 89.413,918 346.819,919 53.1,920 14.381,921 14.296,922 59.235,923 149.602,924 14.151,925 2.328,926 247.193,928 247.193,929 142.513,930 99.626,931 11.853,933 249.521,934 88.626,935 11,937 17.053,938 73.157,939 61.829,941 247.193,942 152.726,943 101.266,945 11.853,946 247.193,947 27.651,948 64.886,949 16.405,950 133.197,951 247.193,952 152.726,953 101.266,955 0.597,956 0.284,957 0.156,958 0.089,959 21,960 10,961 0.115,962 6,964 1,965 3.833,966 238.305,968 18,969 122.606,973 2,974 20.841,975 8.236,976 6.322,978 152.726,979 8.288,980 8.989,984 2.516,986 16.405,987 501.185,988 40,991 -6.63,993 46.198,999 51.149,1000 56.617,1001 0.33,1002 0.634,1003 0.798,1004 0.846,1005 0.846,1006 0.846,1007 4.984,1008 1.343,1009 5.878,1010 4.442,1011 4.489,1012 5.056,1013 3.213,1014 6.713,1015 4.341,1016 6.259,1017 1.049,1018 7.458,1019 3.743,1020 4.443,1021 5.387,1022 0.325,1023 7.941,1024 4.171,1025 7.643,1026 1,1027 9.143,1028 2.597,1029 6.209,1030 7.43,1031 5.446,1032 10.805,1033 5.899,1034 9.06,1035 1,1036 10.886,1037 2.275,1038 6.847,1039 8.452,1040 0.268,1041 12.703,1042 6.404,1043 10.505,1044 0.045,1045 12.663,1046 2.136,1047 8.211,1048 10.122,1049 7.807,1050 15.194,1051 7.723,1052 11.968,1053 -0.101,1054 14.46,1055 0.123,1056 9.125,1057 11.402,1058 0.188,1059 17.335,1060 8.512,1061 13.444,1062 -0.492,1063 16.272,1064 -0.315,1065 10.344,1066 12.951,1067 10.177,1068 19.704,1069 9.67,1070 3.162,1071 -0.667,1072 18.093,1073 -1.282,1074 11.377,1075 14.338,1076 0.125,1077 21.943,1078 10.592,1079 3.138,1080 10.253,1081 19.92,1082 -1.954,1083 12.539,1084 15.844,1085 12.548,1086 24.271,1087 11.683,1088 2.973,1089 10.195,1090 21.754,1091 4.446,1092 13.627,1093 17.278,1094 0.082,1095 26.55,1096 12.669,1097 2.702,1098 9.606,1099 23.591,1100 4.441,1101 14.769,1102 18.768,1103 14.919,1104 28.864,1105 13.733,1106 2.33,1107 8.647,1108 25.431,1109 4.013,1110 15.881,1111 20.226,1112 0.054,1113 31.161,1114 14.751,1115 2.111,1116 6.744,1117 27.274,1118 3.533,1119 17.016,1120 21.71,1121 17.29,1122 33.472,1123 15.806,1124 1.738,1125 6.366,1126 29.119,1127 2.961,1128 18.14,1129 23.181,1130 0.035,1131 35.777,1132 16.841,1133 8936,1134 17158,1135 19.068,1136 33.443,1137 44.955,1138 49.574,1139 45.173,1140 45.359,1141 45.183,1142 59.413,1143 9.865,1144 134.254,1145 41.901,1146 5.649,1147 7.068,1148 6.273,1149 5.184,1150 5.162,1151 7.446,1152 6.545,1153 16.74,1154 4.933,1155 17.124,1156 1.499,1157 1.652,1158 1.506,1159 1.512,1160 1.506,1161 1.98,1162 0.329,1163 4.475,1164 1.397,1165 4.076,1166 4.086,1167 4.727,1168 4.038,1169 7.72,1170 3.96,1171 3.987,1172 3.959,1173 4.711,1174 3.964,1175 7.713,1176 3.848,1177 3.861,1178 3.852,1179 3.93,1180 3.796,1181 6.999,1182 3.703,1183 3.769,1184 3.784,1185 3.718,1186 3.622,1187 6.999,1188 3.612,1189 3.572,1190 3.603,1191 3.51,1192 3.401,1193 4.989,1194 3.404,1195 3.111,1196 3.206,1197 2.906,1198 2.941,1199 4.67,1200 2.91,1201 2.982,1202 3.051,1203 2.866,1204 2.862,1205 4.595,1206 2.86,1207 2.932,1208 3.01,1209 2.817,1210 2.735,1211 3.999,1212 2.715,1213 0.155,1214 0.169,1215 0.216,1216 0.136,1217 0.105,1218 4.649,1219 0.148,1220 5.068,1221 0.109,1222 6.471,1223 0.342,1224 4.08,1225 0.098,1226 3.162,1227 4.446,1228 3.272,1229 10.253,1230 2.933,1231 1.963,1232 1.947,1233 2.027,1234 2.084,1235 1.251,1236 2.089,1237 1.853,1238 1.866,1239 1.933,1240 1.977,1241 1.182,1242 2.011,1243 1.718,1244 1.718,1245 1.789,1246 1.899,1247 1.121,1248 1.94,1249 1.659,1250 1.659,1251 1.61,1252 1.794,1253 0.934,1254 1.856,1255 1.49,1256 1.46,1257 1.58,1258 1.665,1259 0.825,1260 1.681,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.732,1266 1.429,1267 0.974,1268 0.916,1269 1.265,1270 1.203,1271 0.421,1272 1.239,1273 0.886,1274 0.821,1275 1.181,1276 1.161,1277 0.271,1278 1.173,1279 4.111,1281 5.468,1283 6.986,1285 8.573,1287 10.198,1289 2.238,1295 2.282,1296 2.395,1297 5.363,1300 2.028,1305 31.775,1306 92.989,1307 178.974,1308 225.073,1309 238.683,1310 238.683,1311 238.683,1312 72.291,1313 7.232,1314 118.56,1315 135.32,1316 18,1317 12.448,1318 4.087,1319 3.459,1320 49.45,1321 105,1322 106,1323 0.226,1324 203.516,1325 352.91,1326 488.339,1327 12038,1329 20.364,1330 0.727,1331 0.616,1332 20.864,1333 17.255,1334 13.089,1335 0.436,1336 0.417,1337 8.735,1338 10.939,1339 8.115,1340 6.693,1341 14.943,1342 12.508,1343 13.802,1344 0.314,1345 0.24,1346 16.567,1347 10.551,1348 8.554,1349 0.178,1350 0.112,1351 9.455,1352 5.384,1353 7.672,1354 0.118,1355 0.062,1356 8.723,1357 4.06,1358 6.117,1359 0.075,1360 0.032,1361 6.839,1362 2.586,1363 0.351,1364 101.843,1365 0.229,1366 26.596,1367 0.633,1368 148,1369 527.667,1370 227.358,1371 538.475,1372 702.49,1373 490,1374 166,1375 451.201,1376 258.59,1377 515.169,1378 728.88,1379 474,1380 4}
{0 CHEMBL2030450,1 1.916,2 8.8,3 0.453,4 0.205,5 89.277,6 8.748,7 0.407,8 3.884,9 3.975,10 3.724,11 3.349,12 5.027,13 3.349,14 4.444,15 4.592,16 3.948,17 3.677,18 5.8,19 3.685,20 4.639,21 4.824,22 3.873,23 3.729,24 5.88,25 3.712,26 4.549,27 4.753,28 3.914,29 3.721,30 5.853,31 3.68,32 4.559,33 4.766,34 3.924,35 3.712,36 5.732,37 3.69,38 4.549,39 4.738,40 3.989,41 3.717,42 5.85,43 3.689,44 4.604,45 4.794,46 3.941,47 3.753,48 5.774,49 3.695,50 4.659,51 4.821,52 3.905,53 3.688,54 6.099,55 3.653,56 0.226,57 0.672,58 9.182,59 3.944,60 24.031,61 4.211,62 0.662,63 0.995,64 21.039,65 6.44,66 67.036,67 7.224,68 1.042,69 1.07,70 23.002,71 6.144,72 105.356,73 7.793,74 0.703,75 1.062,76 21.033,77 6.825,78 68.107,79 9.129,80 0.722,81 1.069,82 21.616,83 5.589,84 62.898,85 8.048,86 0.748,87 1.065,88 20.51,89 6.43,90 57.522,91 8.294,92 0.818,93 1.036,94 27.315,95 7.664,96 90.088,97 8.677,98 1.113,99 0.927,100 30.198,101 8.623,102 168.444,103 9.185,104 19,105 38,106 0.335,107 0.682,108 0.816,109 0.824,110 0.824,111 0.824,112 3.267,113 1.063,114 -1.88,115 -1.94,116 -1.94,119 33.3,124 1,125 5,142 2,145 1,146 1,147 1,150 1,152 1,158 1,166 1,174 3,175 5,178 3,186 2,187 1,190 1,192 1,198 6,199 2,202 2,204 1,211 3,212 3,223 7,224 1,227 2,236 2,237 2,240 1,245 1,249 3,250 1,262 5,263 2,275 921,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.633,282 22.913,283 9.776,284 17.075,285 13.404,286 13.404,287 13.404,288 13.404,289 13.404,290 10.604,291 36.463,292 4.733,293 14.505,294 3.476,295 1.497,296 0.732,297 0.685,298 0.685,299 0.685,300 3.943,304 1,305 1,306 464,307 3.674,310 75.219,311 169.96,318 1.28,319 40.551,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 57.5,331 220,332 4.647,333 5.068,334 6.464,335 4.028,336 3.154,337 4.444,338 3.272,339 10.231,340 2.84,341 4.27,342 3.574,343 6.201,344 3.865,345 2.935,346 3.873,347 1.058,348 9.333,349 2.749,350 4.13,351 3.164,352 6.044,353 3.769,354 2.791,355 3.682,356 0.86,357 8.658,358 2.588,359 3.649,360 2.747,361 5.457,362 3.338,363 2.416,364 2.87,365 0.8,366 7.24,367 2.218,368 3.364,369 2.383,370 4.961,371 2.953,372 2,373 2.629,375 5.874,376 1.9,377 3.094,378 2.248,379 4.386,380 2.649,381 1.736,382 2.277,384 4.323,385 1.593,386 2.881,387 2.168,388 4.17,389 2.561,390 1.592,391 1.931,393 3.819,394 1.514,395 2.278,396 1.752,397 3.493,398 1.952,399 1.074,400 1.187,402 2.615,403 0.946,404 2.201,405 1.387,406 3.247,407 1.952,408 1,409 1.106,411 2.136,412 0.937,413 2.118,414 1.256,415 3.23,416 1.741,417 0.766,418 1,420 1.838,421 0.74,422 2,423 1.038,424 3.134,425 1.618,426 0.618,427 0.927,428 1.372,429 0.618,430 1.226,431 0.618,432 3,433 0.824,434 -0.099,435 -0.121,436 -0.309,437 -0.089,438 1.145,439 0.443,440 2.662,441 0.741,442 -0.226,443 -0.296,445 -0.62,446 -0.217,447 1,448 0.099,449 2.526,450 0.397,451 -0.535,452 -0.592,454 -1.331,455 -0.493,456 0.71,457 -0.309,458 2.152,460 -1,461 -1,463 -2.347,464 -0.775,465 11.5,466 0.46,467 0.767,468 0.031,469 33.25,470 1.33,471 15.5,472 0.62,473 17.75,474 0.71,475 18.759,476 0.75,477 28.7,478 0.683,479 25.329,480 1.013,481 6.521,482 0.261,483 5.383,484 0.215,485 0.13,486 0.072,487 0.252,493 0.66,494 1.649,495 0.78,496 1.409,497 0.621,498 1.044,499 0.918,500 1.184,501 1.163,502 1.259,503 0.586,504 0.974,505 1.292,506 0.981,507 0.979,508 0.74,509 1.325,510 0.95,511 0.548,512 1.079,513 0.745,514 0.963,515 0.567,516 0.988,517 0.819,518 1.062,519 0.801,520 0.885,521 0.824,522 0.912,523 0.649,524 1.109,525 0.852,526 1.003,527 0.637,528 1.014,529 1.064,530 0.904,531 1.295,532 1.17,533 1.166,534 1.029,535 1.394,536 0.992,537 1.272,538 1.269,539 1.624,540 1.116,541 6.5,542 0.075,543 2,544 1.653,545 1.174,546 0.864,547 0.721,548 0.529,549 0.302,550 0.172,551 6626,552 24381,553 2.028,554 40.5,556 15,558 1,559 1,564 1.687,565 1.887,566 3.119,567 -0.119,569 1,573 80.468,574 1.916,575 3.896,576 4.66,577 4.708,578 4.708,579 4.708,580 2.483,581 3.894,582 4.615,583 3.304,584 991.297,585 8.019,586 12213.5,588 1,591 226.477,592 1.571,593 4.56,594 0.241,595 0.006,596 0.053,597 0.05,598 0.034,599 0.025,600 0.02,601 0.017,602 0.01,603 0.008,604 0.464,605 0.33,606 0.88,607 0.98,608 119.558,609 0.033,610 -0.33,611 0.197,612 -0.148,613 -0.083,614 -0.044,615 -0.006,616 -0.041,617 -0.125,618 -0.142,619 0.181,620 -0.012,621 -0.245,622 -0.008,623 -0.154,624 0.1,625 -0.23,626 -0.039,627 0.188,628 -0.04,629 0.118,630 -0.034,631 0.181,632 0.004,633 -0.042,634 -0.011,635 0.064,636 0.013,637 -0.079,638 0.045,639 0.163,640 -0.022,641 0.059,642 -0.053,643 0.126,644 -0.066,645 -0.135,646 0.15,647 -0.134,648 -0.031,649 -0.155,650 -0.032,651 -0.139,652 -0.105,653 -0.125,654 -0.146,655 -0.063,656 -0.106,657 4.204,658 5.083,659 0.68,660 21.274,661 1.036,662 1.142,663 0.648,664 0.42,665 0.655,666 3.332,667 3.664,668 3.807,669 4.078,670 4.205,671 4.317,672 4.431,673 4.564,674 4.543,675 4.533,676 5.719,677 0.644,678 367.43,679 3.332,680 4.875,681 5.687,682 6.567,683 7.396,684 8.279,685 9.117,686 10.001,687 10.844,688 11.729,689 11.9,695 1,696 1,699 3,704 3,705 3,707 1,709 4,711 11,718 1,726 1,731 42,733 14,735 27,737 44,738 14,739 7,742 1,746 3,747 3,761 8,762 6,766 3,769 1,771 3,775 1,777 1,778 1,781 17,782 10,783 1,784 11,785 1,789 1,790 5,794 1,795 5,806 1,811 1,812 2,839 1,840 3,842 1,844 1,848 25,851 1,854 5,855 1,856 1,859 1,870 11.9,873 3,874 1,875 1,877 13.25,878 7.8,879 5.347,880 2.279,881 1.957,882 1.286,883 0.958,884 5.324,885 8.812,886 3.597,887 4.186,888 4.534,889 5.093,890 5.415,891 5.727,892 5.962,893 6.349,894 6.4,895 6.641,896 0.833,897 33,898 9.417,900 4.211,901 8.15,902 17.103,904 13.857,905 2.65,906 66.25,910 188.338,911 72.669,912 74.303,914 90.192,916 6.046,917 66.623,918 278.53,919 74.303,920 7.19,921 32.307,922 24.998,923 150.101,924 24.663,925 9.676,926 176.567,928 188.338,929 140.926,930 90.192,931 6.046,933 188.338,934 79.192,935 11,937 46.01,938 41.749,939 59.214,941 188.338,942 164.495,943 72.669,945 6.046,946 188.338,947 31.433,948 38.315,949 18.011,950 143.36,951 188.338,952 164.495,953 72.669,955 0.584,956 0.302,957 0.166,958 0.084,959 18,960 8,961 0.114,962 5,964 1,965 3.654,966 202.688,968 17,969 110.096,973 1,974 17.799,975 7.478,976 4.982,978 164.495,979 4.351,980 11.892,982 4.784,984 0.839,986 18.011,987 425.502,988 35.5,991 -3.288,993 35.29,997 -0.568,999 43.524,1000 47.95,1001 0.355,1002 0.722,1003 0.864,1004 0.873,1005 0.873,1006 0.873,1007 4.842,1008 1.074,1009 5.707,1010 3.819,1011 4.344,1012 4.871,1013 3.299,1014 6.506,1015 4.196,1016 6.069,1017 1,1018 7.259,1019 2.615,1020 4.111,1021 4.977,1022 0.325,1023 7.564,1024 3.845,1025 7.409,1026 0.766,1027 8.915,1028 2.136,1029 5.984,1030 7.122,1031 5.457,1032 10.498,1033 5.671,1034 8.786,1035 0.618,1036 10.631,1037 1.838,1038 6.509,1039 8.01,1040 0.268,1041 12.293,1042 6.075,1043 10.195,1044 -0.099,1045 12.384,1046 1.372,1047 7.912,1048 9.705,1049 7.808,1050 14.8,1051 7.42,1052 11.626,1053 -0.226,1054 14.16,1055 -0.309,1056 8.76,1057 10.912,1058 0.188,1059 16.877,1060 8.154,1061 13.072,1062 -0.535,1063 15.951,1064 -0.62,1065 9.985,1066 12.455,1067 10.177,1068 19.242,1069 9.307,1070 3.154,1071 -1,1072 17.754,1073 -1.331,1074 10.978,1075 13.8,1076 0.125,1077 21.44,1078 10.193,1079 2.935,1080 10.231,1081 19.564,1082 -2.347,1083 12.133,1084 15.291,1085 12.548,1086 23.755,1087 11.267,1088 2.791,1089 9.333,1090 21.381,1091 4.444,1092 13.193,1093 16.699,1094 0.082,1095 26.006,1096 12.224,1097 2.416,1098 8.658,1099 23.203,1100 3.873,1101 14.323,1102 18.174,1103 14.919,1104 28.306,1105 13.265,1106 2,1107 7.24,1108 25.028,1109 3.682,1110 15.414,1111 19.614,1112 0.054,1113 30.583,1114 14.255,1115 1.736,1116 5.874,1117 26.857,1118 2.87,1119 16.537,1120 21.085,1121 17.29,1122 32.881,1123 15.284,1124 1.592,1125 4.323,1126 28.689,1127 2.629,1128 17.644,1129 22.543,1130 0.035,1131 35.172,1132 16.29,1133 6511,1134 12660,1135 17.682,1136 27.517,1137 40.34,1138 43.516,1139 40.018,1140 40.318,1141 40.166,1142 51.851,1143 11.981,1144 114.876,1145 37.287,1146 5.647,1147 7.068,1148 6.266,1149 5.132,1150 5.154,1151 7.444,1152 6.545,1153 16.628,1154 4.743,1155 12.528,1156 1.494,1157 1.612,1158 1.482,1159 1.493,1160 1.488,1161 1.92,1162 0.444,1163 4.255,1164 1.381,1165 4.045,1166 4.048,1167 4.723,1168 4.024,1169 7.715,1170 3.907,1171 3.888,1172 3.885,1173 3.901,1174 3.702,1175 7.43,1176 3.711,1177 3.82,1178 3.844,1179 3.793,1180 3.624,1181 6.999,1182 3.64,1183 3.629,1184 3.671,1185 3.547,1186 3.421,1187 5.215,1188 3.432,1189 3.234,1190 3.279,1191 3.181,1192 2.964,1193 4.963,1194 3.008,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.607,1200 2.91,1201 2.934,1202 3.018,1203 2.817,1204 2.683,1205 4.005,1206 2.691,1207 2.777,1208 2.844,1209 2.679,1210 2.495,1211 3.945,1212 2.536,1213 0.172,1214 0.188,1215 0.239,1216 0.149,1217 0.117,1218 4.647,1219 0.165,1220 5.068,1221 0.121,1222 6.464,1223 0.379,1224 4.028,1225 0.105,1226 3.154,1227 4.444,1228 3.272,1229 10.231,1230 2.84,1231 1.896,1232 1.901,1233 1.959,1234 2.057,1235 1.245,1236 2.06,1237 1.72,1238 1.697,1239 1.811,1240 1.903,1241 1.182,1242 1.94,1243 1.582,1244 1.552,1245 1.653,1246 1.799,1247 0.825,1248 1.788,1249 1.479,1250 1.453,1251 1.585,1252 1.65,1253 0.757,1254 1.638,1255 1.187,1256 1.143,1257 1.513,1258 1.513,1259 0.673,1260 1.459,1261 1.153,1262 1.064,1263 1.344,1264 1.376,1265 0.421,1266 1.429,1267 0.921,1268 0.838,1269 1.232,1270 1.233,1271 0.238,1272 1.239,1273 0.831,1274 0.771,1275 1.041,1276 1.18,1277 0.158,1278 1.148,1279 4.007,1281 5.333,1282 2.398,1283 6.823,1284 4.443,1285 8.389,1286 6.293,1287 9.997,1289 1.121,1295 2.073,1296 2.502,1297 5.306,1300 1.945,1305 27.029,1306 80.468,1307 163.617,1308 195.722,1309 197.722,1310 197.722,1311 197.722,1312 54.009,1313 6.854,1314 127.52,1315 135.9,1316 17,1317 12.27,1318 3.907,1319 3.248,1320 41.406,1321 85,1322 75,1323 0.238,1324 170.402,1325 293.5,1326 407.542,1327 7485,1329 17.864,1330 0.715,1331 0.573,1332 18.114,1333 14.322,1334 11.905,1335 0.441,1336 0.354,1337 7.495,1338 10.34,1339 7.168,1340 5.879,1341 12.832,1342 9.571,1343 11.62,1344 0.306,1345 0.202,1346 13.002,1347 7.682,1348 8.066,1349 0.183,1350 0.096,1351 8.517,1352 4.218,1353 7.077,1354 0.122,1355 0.052,1356 7.593,1357 3.017,1358 4.986,1359 0.076,1360 0.027,1361 5.348,1362 1.801,1363 0.365,1364 86.482,1365 0.238,1366 24.049,1367 0.681,1368 130,1369 518.451,1370 182.44,1371 499.681,1372 655.56,1373 460,1374 147,1375 448.687,1376 206.014,1377 470.357,1378 671.43,1379 436,1380 4}
{0 CHEMBL2030451,1 1.829,2 14.147,3 2.92,4 8.527,5 123.702,6 8.372,7 0.486,8 4.176,9 4.278,10 3.95,11 3.718,12 5.307,13 3.699,14 4.722,15 4.87,16 4.212,17 4.07,18 6.049,19 4.048,20 4.977,21 5.17,22 4.199,23 4.17,24 6.174,25 4.13,26 4.929,27 5.152,28 4.176,29 4.137,30 6.104,31 4.073,32 4.909,33 5.116,34 4.216,35 4.126,36 6.104,37 4.083,38 4.878,39 5.059,40 4.24,41 4.177,42 6.079,43 4.108,44 4.952,45 5.144,46 4.248,47 4.25,48 6.159,49 4.143,50 5.056,51 5.26,52 4.115,53 4.2,54 6.254,55 4.086,56 0.166,57 0.967,58 12.423,59 5.62,60 23.131,61 6.155,62 0.611,63 1.51,64 25.652,65 9.395,66 68.423,67 10.684,68 0.927,69 1.796,70 31.542,71 10.193,72 110.688,73 12.347,74 0.661,75 1.716,76 31.327,77 10.756,78 72.164,79 14.147,80 0.764,81 1.634,82 30.478,83 9.528,84 83.336,85 12.502,86 0.716,87 1.643,88 27.384,89 10.744,90 76.133,91 12.957,92 0.722,93 1.749,94 36.356,95 13.146,96 91.509,97 15.564,98 0.927,99 1.696,100 42.415,101 14.716,102 129.086,103 17.278,104 28,105 52,106 0.295,107 0.614,108 0.737,109 0.794,110 0.811,111 0.816,112 3.56,113 1.024,114 -3.98,115 -3.93,116 -3.73,119 39.7,124 1,125 5,142 9,143 1,144 3,146 1,147 1,149 1,159 1,172 6,174 3,175 5,178 2,179 1,180 4,183 6,186 1,187 4,192 4,195 4,198 3,199 11,204 5,207 1,211 1,212 7,217 4,220 2,223 4,224 5,227 2,229 1,232 6,236 1,237 5,245 8,249 2,250 6,253 3,255 1,258 6,262 2,263 2,271 2,275 2260,276 22.427,277 22.427,278 22.427,279 22.427,280 22.427,281 19.788,282 28.743,283 13.284,284 23.188,285 18.346,286 18.346,287 18.346,288 18.346,289 18.346,290 14.266,291 40.347,292 6.446,293 19.623,294 4.029,295 2.055,296 1.298,297 0.944,298 0.841,299 0.806,300 4.253,305 1,306 1031,307 4,311 501.222,318 2.256,319 50.648,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 76,331 481,332 4.648,333 5.068,334 6.471,335 4.046,336 3.16,337 4.445,338 3.272,339 10.252,340 2.881,341 4.349,342 3.562,343 6.287,344 3.9,345 2.979,346 4.018,347 1.656,348 9.609,349 2.671,350 4.071,351 3.183,352 6.022,353 3.709,354 2.752,355 3.634,356 0.86,357 8.657,358 2.597,359 4.005,360 2.917,361 5.583,362 3.629,363 2.669,364 3.562,365 0.8,366 7.676,367 2.547,368 3.772,369 2.855,370 5.369,371 3.433,372 2.478,373 3.068,374 0.247,375 7.05,376 2.359,377 3.565,378 2.645,379 5.193,380 3.186,381 2.234,382 2.828,384 6.503,385 2.113,386 3.449,387 2.433,388 4.957,389 3.065,390 2.111,391 2.724,393 5.876,394 2.003,395 3.223,396 2.359,397 4.595,398 2.775,399 1.793,400 2.427,402 4.875,403 1.737,404 2.929,405 2.274,406 4.433,407 2.64,408 1.734,409 2.01,411 4.413,412 1.564,413 2.741,414 1.847,415 4.197,416 2.27,417 1.326,418 1.82,420 3.699,421 1.246,422 2.5,423 1.457,424 3.491,425 2,426 1.048,427 1.5,428 2.596,429 1,430 2.5,431 1.277,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.2,439 1.256,440 3.414,441 1.952,442 1,443 1.175,445 2.275,446 0.946,447 2,448 1,449 3.247,450 1.936,451 1,452 1,454 2.136,455 0.923,456 1.427,457 1,458 3.134,459 1.124,460 0.2,461 0.233,463 0.499,464 0.182,465 15.952,466 0.469,467 1.01,468 0.03,469 46.75,470 1.375,471 24,472 0.706,473 22.75,474 0.669,475 27.124,476 0.798,477 37.448,478 0.646,479 38.994,480 1.147,481 9.214,482 0.271,483 7.034,484 0.207,485 0.112,486 0.052,487 0.276,491 1,493 0.634,494 1.292,495 0.78,496 1.223,497 0.598,498 0.963,499 0.794,500 1.114,501 1.11,502 1.193,503 0.551,504 0.999,505 1.286,506 1.024,507 1.005,508 0.831,509 1.211,510 0.983,511 0.699,512 1.025,513 0.816,514 0.943,515 0.611,516 0.966,517 0.884,518 0.81,519 0.832,520 0.819,521 0.875,522 0.87,523 0.786,524 0.904,525 0.928,526 0.969,527 0.812,528 1.059,529 0.615,530 0.918,531 1.259,532 1.293,533 0.545,534 1.156,535 0.939,536 0.907,537 1.255,538 1.292,539 1.12,540 1.223,541 9,542 0.14,543 2.889,544 2,545 1.649,546 1.424,547 1.052,548 0.533,549 0.377,550 0.383,551 17817,552 59315,553 2.052,554 41.4,556 22,559 2,564 1.759,565 1.915,566 3.702,567 0.264,569 1,573 106.072,574 1.829,575 3.803,576 4.56,577 4.914,578 5.017,579 5.052,580 3.198,581 4.418,582 5.055,583 3.944,584 2212.79,585 8.862,586 35172.1,591 339.763,592 1.533,593 5.01,594 0.243,595 0.005,596 0.056,597 0.041,598 0.034,599 0.029,600 0.021,601 0.011,602 0.009,603 0.013,604 0.463,605 0.33,606 0.75,607 0.856,608 184.645,609 -0.008,610 -0.174,611 0.159,612 -0.073,613 -0.09,614 0.005,615 0.063,616 -0.078,617 -0.112,618 -0.121,619 0.159,620 -0.048,621 -0.264,622 -0.036,623 -0.168,624 0.039,625 -0.207,626 -0.066,627 0.02,628 -0.072,629 0.064,630 -0.026,631 0.059,632 0.019,633 -0.073,634 0.081,635 0.046,636 0.079,637 -0.067,638 0.078,639 0.016,640 0.054,641 -0.039,642 0.003,643 -0.025,644 -0.094,645 0.088,646 0.035,647 -0.118,648 -0.131,649 0.132,650 -0.118,651 -0.019,652 -0.08,653 -0.162,654 -0.204,655 -0.082,656 -0.181,657 4.197,658 5.206,659 0.706,660 42.824,661 1.021,662 1.133,663 2.75,664 7.563,665 0.673,666 3.638,667 3.97,668 4.127,669 4.394,670 4.635,671 4.7,672 4.875,673 4.977,674 5.043,675 5.153,676 8.255,677 0.652,678 485.59,679 3.638,680 5.187,681 6.004,682 6.88,683 7.714,684 8.592,685 9.436,686 10.315,687 11.165,688 12.046,689 8.6,695 1,696 2,699 2,704 9,705 2,709 7,711 18,726 1,730 1,731 58,733 21,734 2,735 37,737 61,738 23,739 16,740 4,741 8,746 4,747 4,751 1,761 17,762 6,766 3,769 1,771 3,775 1,779 1,781 24,782 10,783 2,784 11,785 1,790 5,794 1,795 4,806 1,812 4,839 1,840 4,842 1,844 1,846 1,848 34,851 1,854 5,855 2,856 1,859 1,869 1,870 6.9,873 3,874 1,877 17.75,878 10.576,879 7.264,880 3.215,881 3.304,882 1.419,883 0.992,884 7.42,885 11.183,886 3.912,887 4.516,888 4.914,889 5.496,890 6.045,891 6.268,892 6.686,893 7.056,894 7.315,895 7.69,896 1,897 49,898 12.781,900 5.681,901 8.066,902 23.543,904 19.314,905 2.566,906 87.25,910 258.964,911 142.327,912 72.717,914 80.458,915 14.96,916 6.046,917 136.281,918 339.422,919 87.677,920 7.19,921 50.317,922 91.332,923 114.029,924 26.029,925 21.564,926 258.964,928 258.964,929 208.998,930 95.418,931 6.046,933 276.252,934 69.458,935 11,937 53.074,938 120.025,939 39.617,941 273.924,942 153.175,943 142.327,945 6.046,946 258.964,947 43.804,948 95.601,949 36.022,950 128.989,951 258.964,952 168.135,953 142.327,955 0.586,956 0.305,957 0.164,958 0.095,959 24,960 11,961 0.098,962 6,964 1,965 4.511,966 308.334,968 24,969 158.974,973 1,974 24.085,975 10.475,976 6.974,978 168.135,979 14.024,980 9.104,984 2.731,986 36.022,987 569.426,988 49,991 -3.281,993 35.95,997 -0.472,999 59.243,1000 65.741,1001 0.312,1002 0.649,1003 0.778,1004 0.839,1005 0.857,1006 0.862,1007 5.156,1008 1.793,1009 6.014,1010 5.876,1011 4.654,1012 5.204,1013 3.39,1014 6.797,1015 4.526,1016 6.381,1017 1.734,1018 7.555,1019 4.875,1020 4.369,1021 5.223,1022 1.305,1023 7.774,1024 4.121,1025 7.711,1026 1.326,1027 9.195,1028 4.413,1029 6.271,1030 7.435,1031 5.489,1032 10.72,1033 5.998,1034 9.072,1035 1.048,1036 10.89,1037 3.699,1038 6.723,1039 8.201,1040 2.354,1041 12.453,1042 6.309,1043 10.463,1044 1,1045 12.621,1046 2.596,1047 8.154,1048 9.969,1049 7.817,1050 14.966,1051 7.713,1052 11.875,1053 1,1054 14.376,1055 2.275,1056 8.942,1057 11.073,1058 3.414,1059 17.013,1060 8.359,1061 13.302,1062 1,1063 16.148,1064 2.275,1065 10.182,1066 12.666,1067 10.18,1068 19.379,1069 9.555,1070 3.16,1071 0.2,1072 17.934,1073 2.136,1074 11.135,1075 13.941,1076 4.466,1077 21.565,1078 10.375,1079 2.979,1080 10.252,1081 19.73,1082 0.499,1083 12.295,1084 15.459,1085 12.549,1086 23.881,1087 11.473,1088 2.752,1089 9.609,1090 21.534,1091 4.445,1092 13.331,1093 16.824,1094 5.504,1095 26.129,1096 12.385,1097 2.669,1098 8.657,1099 23.345,1100 4.018,1101 14.46,1102 18.31,1103 14.92,1104 28.43,1105 13.438,1106 2.478,1107 7.676,1108 25.162,1109 3.634,1110 15.538,1111 19.724,1112 6.531,1113 30.708,1114 14.4,1115 2.234,1116 7.05,1117 26.983,1118 3.562,1119 16.658,1120 21.199,1121 17.29,1122 33.007,1123 15.434,1124 2.111,1125 6.503,1126 28.809,1127 3.068,1128 17.758,1129 22.641,1130 7.551,1131 35.299,1132 16.425,1133 17036,1134 31260,1135 24.444,1136 39.046,1137 55.027,1138 59.095,1139 55.63,1140 55.11,1141 54.97,1142 71.889,1143 13.671,1144 156.777,1145 51.536,1146 5.648,1147 7.068,1148 6.272,1149 5.149,1150 5.16,1151 7.445,1152 6.545,1153 16.729,1154 4.881,1155 17.987,1156 1.487,1157 1.597,1158 1.504,1159 1.489,1160 1.486,1161 1.943,1162 0.369,1163 4.237,1164 1.393,1165 4.066,1166 4.08,1167 4.723,1168 4.033,1169 8.201,1170 3.952,1171 3.938,1172 3.951,1173 3.957,1174 3.875,1175 7.715,1176 3.833,1177 3.893,1178 3.901,1179 3.856,1180 3.815,1181 7.431,1182 3.808,1183 3.802,1184 3.839,1185 3.743,1186 3.634,1187 6.999,1188 3.633,1189 3.6,1190 3.638,1191 3.53,1192 3.411,1193 4.991,1194 3.42,1195 3.406,1196 3.447,1197 3.362,1198 3.132,1199 4.688,1200 3.184,1201 3.111,1202 3.206,1203 2.924,1204 2.941,1205 4.653,1206 2.91,1207 2.985,1208 3.048,1209 2.866,1210 2.837,1211 4.593,1212 2.848,1213 0.126,1214 0.137,1215 0.175,1216 0.109,1217 0.085,1218 4.648,1219 0.12,1220 5.068,1221 0.088,1222 6.471,1223 0.277,1224 4.046,1225 0.078,1226 3.16,1227 4.445,1228 3.272,1229 10.252,1230 2.881,1231 1.957,1232 1.939,1233 2.031,1234 2.083,1235 1.25,1236 2.083,1237 1.879,1238 1.857,1239 1.979,1240 2.002,1241 1.182,1242 2.001,1243 1.836,1244 1.836,1245 1.933,1246 1.947,1247 1.098,1248 1.961,1249 1.713,1250 1.679,1251 1.789,1252 1.895,1253 1.045,1254 1.937,1255 1.508,1256 1.474,1257 1.587,1258 1.705,1259 0.825,1260 1.706,1261 1.258,1262 1.215,1263 1.513,1264 1.555,1265 0.736,1266 1.511,1267 1.153,1268 1.064,1269 1.384,1270 1.376,1271 0.428,1272 1.429,1273 0.949,1274 0.892,1275 1.252,1276 1.199,1277 0.334,1278 1.232,1279 4.317,1281 5.645,1283 7.146,1285 8.721,1287 10.336,1289 1.167,1291 13.009,1295 2.257,1296 5.326,1297 5.397,1300 2.038,1305 37.805,1306 106.072,1307 220.599,1308 264.479,1309 285.008,1310 291.008,1311 293.008,1312 79.77,1313 7.879,1314 113.52,1315 121.9,1316 24,1317 12.588,1318 4.459,1319 3.7,1320 57.021,1321 167,1322 192,1323 0.163,1324 234.832,1325 412.66,1326 564.751,1327 30926,1328 1.7,1329 24.131,1330 0.71,1331 0.568,1332 23.511,1333 19.309,1334 16.248,1335 0.439,1336 0.341,1337 10.558,1338 14.699,1339 10.152,1340 8.354,1341 16.781,1342 12.635,1343 15.739,1344 0.303,1345 0.193,1346 16.5,1347 10.014,1348 11.26,1349 0.185,1350 0.096,1351 11.3,1352 5.834,1353 9.636,1354 0.12,1355 0.052,1356 10.011,1357 4.124,1358 7.874,1359 0.077,1360 0.026,1361 7.94,1362 2.702,1363 0.261,1364 112.408,1365 0.202,1366 31.9,1367 0.431,1368 178,1369 649.515,1370 231.45,1371 613.488,1372 807.33,1373 566,1374 202,1375 550.603,1376 260.105,1377 577.488,1378 828.64,1379 538,1380 6.248}
{0 CHEMBL2046643,1 1.712,2 10.207,3 3.828,4 14.655,5 106.525,6 7.688,7 0.387,8 4.066,9 4.202,10 3.632,11 3.537,12 5.208,13 3.537,14 4.649,15 4.841,16 4.084,17 3.93,18 6.17,19 3.916,20 4.904,21 5.13,22 4.116,23 4.102,24 6.04,25 4.056,26 5.042,27 5.296,28 4.182,29 4.101,30 6.32,31 4.06,32 4.981,33 5.213,34 4.154,35 4.072,36 6.418,37 4.033,38 4.94,39 5.191,40 4.08,41 4.059,42 6.069,43 4.002,44 4.941,45 5.165,46 4.157,47 4.004,48 6.382,49 3.98,50 4.949,51 5.199,52 3.894,53 3.875,54 6.279,55 3.848,56 0.136,57 1.006,58 10.441,59 4.669,60 27.548,61 6.074,62 0.899,63 1.865,64 22.526,65 7.776,66 149.908,67 10.528,68 0.553,69 1.787,70 29.426,71 9.792,72 62.081,73 14.129,74 0.977,75 1.949,76 37.121,77 10.709,78 134.216,79 15.576,80 1.176,81 1.827,82 34.411,83 10.439,84 192.048,85 14.299,86 0.759,87 1.84,88 32.593,89 10.025,90 75.669,91 14.68,92 1.005,93 2.097,94 32.698,95 10.337,96 157.855,97 13.52,98 1.259,99 1.965,100 36.691,101 10.096,102 201.372,103 11.64,104 55,105 45,106 0.288,107 0.633,108 0.804,109 0.86,110 0.86,111 0.86,112 3.409,113 0.918,114 -5.05,115 -4.95,116 -4.64,119 37.7,120 2,121 1,122 1,125 3,127 1,132 1,142 4,143 2,145 1,146 1,147 2,157 1,163 1,164 1,165 1,172 7,174 1,175 6,177 1,178 1,180 2,183 5,185 1,186 1,187 7,190 1,192 2,195 1,197 1,198 1,199 5,201 1,202 1,204 3,207 2,209 1,211 2,212 7,214 1,215 2,217 2,220 4,222 1,224 3,229 2,232 4,234 1,236 1,237 4,239 1,240 1,242 2,245 5,247 1,250 1,253 1,255 1,258 4,263 1,268 1,271 4,275 1404,276 18.679,277 18.679,278 18.679,279 18.679,280 18.679,281 17.185,282 22.404,283 10.838,284 19.214,285 15.295,286 15.295,287 15.295,288 15.295,289 15.295,290 12.97,291 31.463,292 5.137,293 16.239,294 4.016,295 1.96,296 0.939,297 0.609,298 0.609,299 0.609,300 4.082,304 1,305 1,306 615,307 4.062,311 295.914,318 1.455,319 54.56,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 66,331 296,332 4.636,333 4.472,334 7.294,335 4.327,336 3.419,337 4.213,338 3.825,339 12.483,340 3.195,341 4.273,342 3.607,343 6.549,344 3.936,345 2.99,346 3.818,347 0.8,348 10.109,349 2.8,350 4.044,351 3.147,352 6.183,353 3.811,354 2.877,355 3.293,356 0.4,357 9.22,358 2.666,359 3.669,360 2.655,361 5.722,362 3.462,363 2.508,364 2.872,366 7.57,367 2.38,368 3.498,369 2.568,370 5.392,371 3.242,372 2.297,373 2.576,375 6.999,376 2.134,377 3.094,378 2.256,379 4.722,380 2.914,381 1.936,382 2.196,384 4.836,385 1.888,386 2.913,387 1.981,388 4.499,389 2.606,390 1.657,391 2.02,393 4.513,394 1.544,395 2.858,396 1.499,397 4.196,398 2.392,399 1.414,400 1.953,402 3.654,403 1.38,404 2.703,405 1.467,406 4.114,407 2.306,408 1.345,409 1.782,411 3.328,412 1.286,413 2.464,414 1.318,415 3.634,416 2.189,417 1.234,418 1.46,420 2.97,421 1.17,422 2.348,423 1.307,424 3.478,425 1.986,426 1.061,427 1.137,428 2.519,429 0.976,430 2.13,431 1.273,432 3.454,433 1.752,434 0.733,435 1.117,436 1.802,437 0.738,438 1.093,439 0.51,440 2.933,441 0.82,442 -0.151,443 -0.151,445 -0.383,446 -0.145,447 1.016,448 0.51,449 2.586,450 0.722,451 -0.227,452 -0.276,454 -0.525,455 -0.215,456 0.848,457 0.131,458 2.505,459 0.63,460 -0.341,461 -0.424,463 -0.88,464 -0.326,465 13.19,466 0.455,467 1.008,468 0.035,469 33.5,470 1.155,471 14.5,472 0.5,473 19,474 0.655,475 27.974,476 0.965,477 33.61,478 0.634,479 29.467,480 1.016,481 6.459,482 0.223,483 7.205,484 0.248,485 0.196,486 0.038,487 0.334,490 3,493 0.619,494 1.162,495 0.733,496 1.177,497 0.611,498 1.03,499 0.475,500 0.846,501 0.72,502 1.002,503 0.361,504 0.95,505 0.603,506 0.95,507 0.812,508 1.087,509 0.494,510 1.027,511 0.769,512 0.895,513 0.776,514 0.928,515 0.749,516 0.869,517 0.798,518 0.923,519 0.886,520 0.957,521 0.782,522 0.954,523 0.646,524 0.881,525 0.768,526 0.967,527 0.638,528 0.921,529 1.004,530 1.159,531 0.941,532 1.18,533 1.08,534 1.092,535 1.942,536 1.389,537 1.421,538 0.973,539 1.992,540 1.008,541 7.5,542 0.178,543 3.778,544 2.688,545 1.898,546 1.417,547 1.099,548 0.618,549 0.399,550 0.279,551 9225,552 28098,553 1.965,554 45.3,555 7,556 11,558 1,559 3,561 2,564 1.726,565 1.785,566 3.301,567 0.96,569 1,573 90.738,574 1.712,575 3.768,576 4.789,577 5.119,578 5.119,579 5.119,580 2.719,581 4.487,582 4.828,583 3.473,584 1410.23,585 8.448,586 18669.6,588 1,590 1,591 303.58,592 1.713,593 4.748,594 0.242,595 0.009,596 0.084,597 0.057,598 0.04,599 0.031,600 0.025,601 0.014,602 0.012,603 0.011,604 0.525,605 0.17,606 1,607 1.096,608 145.162,609 -0.056,610 -0.117,611 0.019,612 -0.028,613 -0.087,614 0.014,615 0.34,616 0.204,617 0.158,618 0.049,619 0.399,620 0.047,621 0.009,622 -0.129,623 0.056,624 -0.09,625 0.057,626 -0.018,627 0.08,628 -0.038,629 0.186,630 0.027,631 0.09,632 0.116,633 0.138,634 -0.019,635 0.073,636 0.015,637 0.175,638 0.02,639 0.075,640 -0.048,641 0.156,642 0.01,643 0.033,644 0.086,645 0.11,646 -0.066,647 0.049,648 -0.169,649 0.069,650 -0.118,651 -0.35,652 -0.038,653 -0.296,654 0.019,655 -0.344,656 -0.081,657 5.961,658 5.866,659 0.621,660 26.014,661 1.021,662 1.156,663 3.825,664 14.628,665 0.635,666 3.466,667 3.829,668 4.043,669 4.304,670 4.522,671 4.605,672 4.762,673 4.779,674 4.883,675 4.927,676 6.177,677 0.618,678 407.49,679 3.466,680 5.03,681 5.872,682 6.77,683 7.635,684 8.536,685 9.413,686 10.315,687 11.199,688 12.102,689 9.4,691 1,693 1,695 1,699 2,704 5,705 2,709 5,711 12,716 1,722 1,726 1,731 53,733 13,735 31,737 55,738 20,739 10,742 1,746 3,747 3,752 3,755 1,757 1,758 2,761 11,762 9,763 1,766 1,771 1,775 1,778 1,779 3,781 24,782 9,783 3,784 9,790 5,794 1,795 1,805 2,812 3,835 1,840 3,844 2,846 3,848 29,849 1,854 4,855 1,858 2,859 1,860 1,869 3,870 1.9,873 1,877 16.25,878 9.862,879 6.222,880 3.22,881 2.204,882 1.302,883 0.957,884 6.33,885 9.5,886 3.664,887 4.22,888 4.736,889 5.261,890 5.767,891 5.968,892 6.318,893 6.507,894 6.823,895 7.035,896 0.857,897 47,898 11.447,900 5.537,901 8.239,902 19.923,904 16.394,905 2.739,906 79.417,908 1,909 1,910 247.193,911 100.131,912 87.603,914 25.145,915 44.88,917 100.131,918 272.338,919 132.484,920 17.65,921 8.852,922 88.813,923 75.621,924 66.18,925 4.656,926 235.422,927 7.76,928 247.193,929 187.735,930 70.025,933 223.651,934 93.567,937 64.076,938 90.087,939 33.571,941 292.073,942 112.748,943 100.131,946 254.953,947 27.769,948 67.727,949 18.011,950 136.494,951 247.193,952 157.629,953 100.131,955 0.594,956 0.328,957 0.176,958 0.096,959 21,960 11,961 0.091,962 5,964 1,965 3.801,966 257.467,968 18,969 134.127,974 21.386,975 8.584,976 4.995,978 157.629,979 6.415,980 7.936,984 -1.617,986 50.908,987 504.953,988 38,993 12.866,997 -0.89,999 54.094,1000 61.287,1001 0.299,1002 0.658,1003 0.836,1004 0.894,1005 0.894,1006 0.894,1007 4.942,1008 1.414,1009 5.916,1010 4.513,1011 4.511,1012 4.905,1013 3.097,1014 6.783,1015 4.401,1016 6.158,1017 1.345,1018 7.522,1019 3.654,1020 4.369,1021 4.808,1022 3.911,1023 7.976,1024 4.127,1025 7.48,1026 1.234,1027 9.241,1028 3.328,1029 6.205,1030 7.03,1031 5.423,1032 11.021,1033 5.969,1034 8.835,1035 1.061,1036 11.026,1037 2.97,1038 6.825,1039 7.701,1040 6.69,1041 13.004,1042 6.459,1043 10.224,1044 0.733,1045 12.854,1046 2.519,1047 8.228,1048 9.484,1049 8.058,1050 15.66,1051 7.847,1052 11.638,1053 -0.151,1054 14.712,1055 1.802,1056 9.173,1057 10.516,1058 9.389,1059 17.949,1060 8.683,1061 13.07,1062 -0.227,1063 16.593,1064 -0.383,1065 10.427,1066 12.111,1067 10.734,1068 20.492,1069 9.898,1070 3.419,1071 -0.341,1072 18.49,1073 -0.525,1074 11.513,1075 13.324,1076 12.074,1077 22.907,1078 10.894,1079 2.99,1080 12.483,1081 20.401,1082 -0.88,1083 12.72,1084 14.83,1085 13.416,1086 25.421,1087 12.047,1088 2.877,1089 10.109,1090 22.322,1091 4.213,1092 13.868,1093 16.138,1094 14.758,1095 27.891,1096 13.117,1097 2.508,1098 9.22,1099 24.253,1100 3.818,1101 15.065,1102 17.6,1103 16.1,1104 30.401,1105 14.253,1106 2.297,1107 7.57,1108 26.191,1109 3.293,1110 16.244,1111 18.96,1112 17.441,1113 32.896,1114 15.359,1115 1.936,1116 6.999,1117 28.135,1118 2.872,1119 17.443,1120 20.402,1121 18.783,1122 35.408,1123 16.493,1124 1.657,1125 4.836,1126 30.085,1127 2.576,1128 18.639,1129 21.791,1130 20.124,1131 37.916,1132 17.619,1133 9226,1134 16474,1135 19.592,1136 33.671,1137 47.838,1138 48.097,1139 48.856,1140 47.162,1141 46.946,1142 56.877,1143 10.051,1144 140.005,1145 44.31,1146 5.636,1147 6.472,1148 6.979,1149 5.395,1150 5.419,1151 7.213,1152 5.335,1153 20.364,1154 5.159,1155 18.304,1156 1.543,1157 1.552,1158 1.576,1159 1.521,1160 1.514,1161 1.835,1162 0.324,1163 4.516,1164 1.429,1165 4.019,1166 4.058,1167 3.989,1168 3.894,1169 8.513,1170 3.911,1171 3.867,1172 3.919,1173 3.799,1174 3.73,1175 7.999,1176 3.739,1177 3.786,1178 3.835,1179 3.701,1180 3.659,1181 7.999,1182 3.658,1183 3.594,1184 3.668,1185 3.45,1186 3.422,1187 7.427,1188 3.416,1189 3.289,1190 3.345,1191 3.287,1192 3.041,1193 5.158,1194 3.06,1195 3.194,1196 3.228,1197 3.138,1198 2.975,1199 4.802,1200 3.005,1201 3.136,1202 3.212,1203 2.904,1204 2.94,1205 4.573,1206 2.944,1207 3.023,1208 3.133,1209 2.87,1210 2.719,1211 4.395,1212 2.751,1213 0.15,1214 0.144,1215 0.235,1216 0.14,1217 0.11,1218 4.636,1219 0.136,1220 4.472,1221 0.123,1222 7.294,1223 0.403,1224 4.327,1225 0.103,1226 3.419,1227 4.213,1228 3.825,1229 12.483,1230 3.195,1231 1.929,1232 1.9,1233 2.059,1234 2.084,1235 1.387,1236 2.073,1237 1.835,1238 1.784,1239 1.974,1240 1.999,1241 1.151,1242 1.995,1243 1.754,1244 1.71,1245 1.9,1246 1.903,1247 1.032,1248 1.903,1249 1.584,1250 1.513,1251 1.807,1252 1.789,1253 0.902,1254 1.805,1255 1.177,1256 1.108,1257 1.524,1258 1.425,1259 0.822,1260 1.442,1261 1.134,1262 1.089,1263 1.417,1264 1.39,1265 0.481,1266 1.348,1267 1.044,1268 0.998,1269 1.304,1270 1.33,1271 0.469,1272 1.324,1273 0.934,1274 0.822,1275 1.264,1276 1.287,1277 0.297,1278 1.308,1279 4.143,1281 5.493,1283 7.031,1285 8.655,1287 10.326,1289 4.234,1291 40.625,1293 5.704,1295 2.836,1296 3.415,1299 0.694,1300 1.91,1301 -4.711,1305 32.767,1306 90.738,1307 199.705,1308 253.805,1309 271.315,1310 271.315,1311 271.315,1312 85.634,1313 7.296,1314 84.14,1315 84.14,1316 18,1317 12.626,1318 3.807,1319 3,1320 52.08,1321 104,1322 116,1323 0.242,1324 201.508,1325 359.2,1326 483.439,1327 13161,1328 5.7,1329 21.181,1330 0.73,1331 0.563,1332 18.681,1333 16.331,1334 13.664,1335 0.441,1336 0.306,1337 9.302,1338 12.972,1339 9.089,1340 7.543,1341 12.452,1342 9.483,1343 13.416,1344 0.298,1345 0.168,1346 11.421,1347 7.555,1348 9.876,1349 0.176,1350 0.086,1351 9.122,1352 4.82,1353 8.409,1354 0.115,1355 0.048,1356 7.637,1357 3.524,1358 6.576,1359 0.072,1360 0.025,1361 5.932,1362 2.301,1363 0.37,1364 86.99,1365 0.226,1366 27.052,1367 0.693,1368 152,1369 616.649,1370 180.168,1371 515.575,1372 669.97,1373 476,1374 177,1375 467.988,1376 199.738,1377 454.615,1378 686.88,1379 426,1380 5.398}
{0 CHEMBL2057359,1 1.762,2 13.939,3 2.624,4 6.884,5 124.649,6 8.314,7 0.611,8 4.141,9 4.256,10 3.923,11 3.685,12 5.284,13 3.664,14 4.655,15 4.813,16 4.251,17 4.062,18 6.012,19 4.032,20 4.894,21 5.074,22 4.269,23 4.203,24 6.075,25 4.128,26 5.036,27 5.279,28 4.242,29 4.151,30 6.277,31 4.069,32 4.848,33 5.029,34 4.119,35 4.007,36 6.195,37 3.989,38 4.723,39 4.901,40 4.077,41 3.996,42 5.981,43 3.948,44 4.806,45 5.045,46 4.015,47 3.925,48 5.99,49 3.878,50 4.561,51 4.751,52 3.902,53 3.854,54 5.777,55 3.798,56 0.158,57 0.929,58 12.565,59 4.888,60 18.232,61 5.719,62 0.553,63 1.429,64 20.857,65 8.193,66 66.13,67 10.189,68 0.484,69 1.713,70 29.533,71 10.305,72 56.282,73 12.325,74 0.849,75 1.724,76 46.807,77 13.453,78 106.083,79 16.651,80 0.847,81 1.442,82 29.101,83 8.69,84 121.544,85 9.742,86 0.378,87 1.422,88 24.156,89 8.374,90 44.972,91 10.445,92 0.736,93 1.43,94 30.115,95 8.051,96 80.662,97 10.76,98 0.446,99 1.206,100 19.423,101 6.808,102 49.743,103 8.858,104 40,105 53,106 0.285,107 0.621,108 0.736,109 0.805,110 0.813,111 0.813,112 3.531,113 0.964,114 -3.81,115 -3.77,116 -3.58,119 39.3,120 3,130 1,142 8,143 2,144 2,145 2,150 1,151 1,159 1,161 1,166 1,172 8,174 3,175 4,178 6,179 1,180 5,183 10,187 9,190 1,192 3,195 4,198 4,199 15,202 3,204 5,207 1,211 2,212 7,215 1,217 5,220 3,223 1,224 12,229 4,232 3,236 3,237 10,240 1,242 4,245 3,249 2,250 5,253 2,255 1,258 5,262 2,263 5,266 1,268 1,271 9,275 1955,276 21.383,277 21.383,278 21.383,279 21.383,280 21.383,281 18.445,282 19.342,283 12.441,284 21.878,285 17.858,286 17.858,287 17.858,288 17.858,289 17.858,290 13.324,291 27.144,292 6.013,293 18.685,294 4.046,295 1.966,296 1.251,297 0.822,298 0.773,299 0.773,300 4.22,304 1,305 1,306 979,307 4.637,310 80.042,311 330.579,314 143.902,318 2.373,319 41.157,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 72.5,331 460,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.564,343 6.365,344 4.017,345 3.063,346 4.449,347 0.247,348 9.835,349 2.939,350 4.129,351 3.18,352 6.322,353 3.909,354 2.956,355 3.695,357 9.672,358 2.79,359 3.999,360 3.05,361 6.045,362 3.69,363 2.722,364 3.477,366 8.783,367 2.619,368 3.959,369 2.722,370 5.524,371 3.573,372 2.604,373 3.065,375 7.49,376 2.516,377 3.632,378 2.535,379 5.21,380 3.209,381 2.244,382 2.963,384 6.52,385 2.161,386 3.385,387 2.136,388 4.871,389 2.867,390 1.891,391 2.713,393 5.335,394 1.84,395 3.169,396 1.814,397 4.59,398 2.68,399 1.722,400 2.408,402 4.792,403 1.641,404 3.012,405 1.523,406 4.452,407 2.478,408 1.519,409 2.256,411 4.343,412 1.454,413 2.845,414 1.519,415 4.226,416 2.371,417 1.379,418 1.977,420 3.543,421 1.362,422 2.731,423 1.334,424 3.568,425 2.211,426 1.232,427 1.82,428 2.982,429 1.202,430 2.579,431 1.104,432 3.498,433 2.023,434 1.083,435 1.614,436 2.497,437 1.015,438 2.5,439 1,440 3.278,441 2,442 1,443 1.5,445 2.136,446 1,447 1.903,448 0.603,449 3.247,450 1.374,451 0.411,452 0.611,454 1.081,455 0.395,456 1.192,457 0.412,458 3.161,459 0.898,460 -0.035,461 -0.04,463 -0.096,464 -0.032,465 15.633,466 0.474,467 1.17,468 0.035,469 47.25,470 1.432,471 25.5,472 0.773,473 21.75,474 0.659,475 26.2,476 0.794,477 35.367,478 0.632,479 38.699,480 1.173,481 9.019,482 0.273,483 6.569,484 0.199,485 0.16,486 0.085,487 0.249,493 0.623,494 1.392,495 0.791,496 1.216,497 0.667,498 0.933,499 0.474,500 1.047,501 0.754,502 0.941,503 0.478,504 0.878,505 1.127,506 1.25,507 1.208,508 1.222,509 1.009,510 1.18,511 0.931,512 0.912,513 1.169,514 1.092,515 0.944,516 0.804,517 2.004,518 0.913,519 1.121,520 0.776,521 2.284,522 0.876,523 1.082,524 1.408,525 1.06,526 1.252,527 0.987,528 1.172,529 1.241,530 0.86,531 0.924,532 0.717,533 1.169,534 0.774,535 0.927,536 1.041,537 0.924,538 0.973,539 0.857,540 1.067,541 10,542 0.235,543 3.333,544 3.042,545 1.564,546 1.434,547 0.736,548 0.65,549 0.43,550 0.297,551 16365,552 48496,553 2.029,554 41.1,556 8,557 1,558 2,559 3,561 9,564 1.749,565 1.868,566 3.738,567 0.922,569 1,573 98.656,574 1.762,575 3.841,576 4.557,577 4.985,578 5.034,579 5.034,580 3.23,581 4.43,582 5.013,583 3.95,584 2085.51,585 8.762,586 32129.1,591 325.212,592 1.681,593 4.947,594 0.278,595 0.009,596 0.063,597 0.062,598 0.031,599 0.032,600 0.017,601 0.016,602 0.012,603 0.009,604 0.529,605 0.33,606 0.75,607 1.059,608 177.606,609 0.051,610 -0.161,611 0.184,612 -0.088,613 -0.153,614 0.011,615 0.391,616 0.082,617 0.143,618 0.052,619 0.29,620 0.053,621 -0.197,622 -0.161,623 -0.181,624 -0.172,625 -0.143,626 -0.229,627 0.141,628 0.031,629 0.118,630 0.05,631 0.172,632 0.235,633 -0.408,634 0.062,635 -0.179,636 0.123,637 -0.4,638 0.004,639 -0.131,640 -0.354,641 -0.135,642 -0.273,643 -0.055,644 -0.228,645 -0.117,646 0.129,647 0.043,648 0.167,649 -0.114,650 0.157,651 -0.017,652 0.016,653 -0.091,654 -0.065,655 -0.031,656 -0.135,657 4.645,658 5.656,659 0.636,660 40.871,661 1.015,662 1.131,663 2.578,664 6.648,665 0.681,666 3.611,667 3.989,668 4.159,669 4.454,670 4.615,671 4.691,672 4.883,673 5.017,674 5.124,675 5.252,676 8.168,677 0.655,678 465.59,679 3.611,680 5.187,681 6.019,682 6.923,683 7.771,684 8.676,685 9.534,686 10.439,687 11.304,688 12.209,689 12.5,691 1,696 2,697 1,699 3,703 1,704 11,705 3,709 5,711 22,731 56,733 25,734 1,735 36,737 59,738 22,739 17,740 1,741 5,746 4,747 5,751 1,752 3,761 18,762 4,763 1,766 3,769 1,771 3,775 1,778 1,781 23,782 9,783 3,784 11,785 1,790 7,794 0.75,795 3,805 2,811 1,812 3,815 1,840 3,842 1,844 3,848 33,852 1,855 3,860 1,867 1,870 5.4,873 3,877 17.667,878 10.883,879 6.889,880 3.051,881 4.159,882 1.515,883 0.986,884 6.173,885 12.227,886 3.932,887 4.598,888 5.108,889 5.736,890 6.253,891 6.582,892 7.097,893 7.531,894 7.882,895 8.336,896 1,897 49,898 12.427,900 5.591,901 7.965,902 22.731,904 18.618,905 2.465,906 81.333,910 235.422,911 153.804,912 103.825,914 69.458,916 5.807,917 147.997,918 304.88,919 103.825,920 26.476,921 36.022,922 107.07,923 144.949,924 29.937,925 17.946,926 200.109,928 235.422,929 251.821,930 69.458,931 5.807,933 129.482,934 175.398,937 101.775,938 99.812,939 56.042,941 235.422,942 173.282,943 153.804,945 5.807,946 235.422,947 18.569,948 130.592,949 52.426,950 119.692,951 235.422,952 173.282,953 153.804,955 0.597,956 0.313,957 0.173,958 0.089,959 26,960 12,961 0.102,962 6,963 1,964 1.095,965 4.374,966 300.749,967 0.095,968 21,969 155.71,973 1,974 22.867,975 8.908,976 5.735,977 0.514,978 172.118,979 18.623,980 12.659,984 2.121,986 52.426,987 562.509,988 50,991 -3.728,993 37.507,997 -0.467,999 56.84,1000 63.358,1001 0.303,1002 0.661,1003 0.785,1004 0.858,1005 0.867,1006 0.867,1007 5.19,1008 1.722,1009 6.075,1010 5.335,1011 4.673,1012 5.286,1013 1.758,1014 6.936,1015 4.582,1016 6.459,1017 1.519,1018 7.672,1019 4.792,1020 4.575,1021 5.38,1022 1.195,1023 8.184,1024 4.423,1025 7.819,1026 1.379,1027 9.38,1028 4.343,1029 6.395,1030 7.613,1031 2.415,1032 11.162,1033 6.193,1034 9.215,1035 1.232,1036 11.155,1037 3.543,1038 7.04,1039 8.48,1040 2.324,1041 13.186,1042 6.763,1043 10.642,1044 1.083,1045 12.975,1046 2.982,1047 8.437,1048 10.274,1049 3.244,1050 15.807,1051 8.11,1052 12.093,1053 1,1054 14.825,1055 2.497,1056 9.393,1057 11.496,1058 3.407,1059 18.13,1060 8.985,1061 13.563,1062 0.411,1063 16.699,1064 2.136,1065 10.646,1066 13.124,1067 4.156,1068 20.664,1069 10.181,1070 3.464,1071 -0.035,1072 18.591,1073 1.081,1074 11.738,1075 14.512,1076 4.464,1077 23.109,1078 11.192,1079 3.063,1080 12.767,1081 20.499,1082 -0.096,1083 12.946,1084 16.076,1085 5.111,1086 25.63,1087 12.336,1088 2.956,1089 9.835,1090 22.419,1091 4.714,1092 14.1,1093 17.541,1094 5.504,1095 28.127,1096 13.41,1097 2.722,1098 9.672,1099 24.349,1100 4.449,1101 15.301,1102 19.081,1103 6.091,1104 30.654,1105 14.54,1106 2.604,1107 8.783,1108 26.289,1109 3.695,1110 16.486,1111 20.582,1112 6.531,1113 33.175,1114 15.645,1115 2.244,1116 7.49,1117 28.236,1118 3.477,1119 17.69,1120 22.115,1121 7.083,1122 35.708,1123 16.774,1124 1.891,1125 6.52,1126 30.189,1127 3.065,1128 18.892,1129 23.633,1130 7.551,1131 38.241,1132 17.897,1133 15723,1134 27302,1135 23.345,1136 38.142,1137 55.571,1138 56.252,1139 55.094,1140 54.609,1141 54.579,1142 74.521,1143 3.806,1144 163.55,1145 52.301,1146 5.745,1147 6.691,1148 7.158,1149 5.467,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.217,1155 19.04,1156 1.544,1157 1.563,1158 1.53,1159 1.517,1160 1.516,1161 2.07,1162 0.106,1163 4.543,1164 1.453,1165 4.142,1166 4.18,1167 4.736,1168 4.071,1169 7.717,1170 4.022,1171 4.019,1172 4.02,1173 4.081,1174 3.888,1175 7.431,1176 3.864,1177 3.9,1178 3.937,1179 3.833,1180 3.822,1181 6.999,1182 3.819,1183 3.72,1184 3.779,1185 3.687,1186 3.576,1187 5.154,1188 3.576,1189 3.539,1190 3.564,1191 3.496,1192 3.405,1193 4.845,1194 3.369,1195 3.441,1196 3.459,1197 3.417,1198 3.202,1199 4.768,1200 3.228,1201 3.183,1202 3.237,1203 3.135,1204 2.962,1205 4.368,1206 2.995,1207 2.906,1208 3.009,1209 2.802,1210 2.751,1211 4.323,1212 2.752,1213 0.135,1214 0.13,1215 0.204,1216 0.122,1217 0.096,1218 4.877,1219 0.131,1220 4.691,1221 0.046,1222 7.356,1223 0.355,1224 4.395,1225 0.089,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.887,1238 1.855,1239 2.011,1240 1.995,1241 1.137,1242 2,1243 1.826,1244 1.81,1245 1.963,1246 1.98,1247 1.061,1248 1.996,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.416,1256 1.362,1257 1.5,1258 1.729,1259 0.483,1260 1.672,1261 1.309,1262 1.32,1263 1.417,1264 1.487,1265 0.469,1266 1.525,1267 1.077,1268 1.018,1269 1.417,1270 1.374,1271 0.469,1272 1.328,1273 0.934,1274 0.821,1275 1.234,1276 1.239,1277 0.393,1278 1.308,1279 4.29,1281 5.652,1282 2.398,1283 7.182,1284 4.727,1285 8.786,1286 6.823,1287 10.432,1289 5.31,1296 7.912,1301 -0.62,1305 36.696,1306 98.656,1307 215.119,1308 255.173,1309 279.173,1310 281.928,1311 281.928,1312 72.296,1313 8.068,1314 130.38,1315 138.76,1316 23,1317 12.736,1318 4.7,1319 3.907,1320 54.616,1321 163,1322 165,1323 0.164,1324 230.707,1325 388.96,1326 554.684,1327 39431,1329 23.64,1330 0.716,1331 0.578,1332 23.89,1333 19.089,1334 15.588,1335 0.433,1336 0.321,1337 10.05,1338 14.185,1339 9.582,1340 8.061,1341 16.409,1342 11.563,1343 15.861,1344 0.299,1345 0.19,1346 17.148,1347 10.048,1348 11.121,1349 0.177,1350 0.097,1351 12.298,1352 6.11,1353 10.069,1354 0.118,1355 0.053,1356 11.306,1357 4.484,1358 7.364,1359 0.074,1360 0.027,1361 8.077,1362 2.695,1363 0.263,1364 106.38,1365 0.207,1366 31.116,1367 0.433,1368 178,1369 561.646,1370 235.861,1371 568.207,1372 771.54,1373 522,1374 205,1375 552.695,1376 272.522,1377 596.567,1378 862.38,1379 555,1380 4}
{0 CHEMBL2057360,1 1.738,2 14.706,3 2.631,4 6.921,5 129.484,6 8.129,7 0.595,8 4.186,9 4.303,10 3.946,11 3.728,12 5.31,13 3.703,14 4.709,15 4.873,16 4.268,17 4.109,18 6.034,19 4.071,20 4.947,21 5.13,22 4.289,23 4.254,24 6.096,25 4.169,26 5.099,27 5.346,28 4.248,29 4.199,30 6.303,31 4.107,32 4.906,33 5.102,34 4.141,35 4.057,36 6.198,37 4.024,38 4.787,39 4.974,40 4.105,41 4.035,42 6.039,43 3.987,44 4.855,45 5.092,46 4.045,47 3.965,48 6.045,49 3.915,50 4.624,51 4.816,52 3.936,53 3.893,54 5.837,55 3.834,56 0.151,57 0.967,58 13.652,59 5.21,60 19.018,61 6.285,62 0.569,63 1.493,64 22.89,65 8.721,66 68.357,67 11.076,68 0.446,69 1.787,70 31.907,71 11.207,72 58.743,73 13.847,74 0.887,75 1.815,76 49.278,77 14.047,78 115.777,79 17.671,80 0.792,81 1.522,82 31.741,83 9.497,84 114.312,85 11.453,86 0.408,87 1.494,88 26.706,89 8.659,90 51.918,91 11.081,92 0.732,93 1.477,94 31.736,95 8.544,96 82.22,97 11.544,98 0.452,99 1.269,100 21.377,101 7.249,102 55.441,103 9.642,104 40,105 54,106 0.278,107 0.622,108 0.752,109 0.811,110 0.819,111 0.819,112 3.56,113 0.975,114 -3.76,115 -3.72,116 -3.54,119 39,120 3,125 1,130 1,142 8,143 3,144 1,145 2,150 1,151 1,159 1,161 1,166 1,172 10,174 3,175 4,178 6,179 1,180 4,183 12,187 9,190 1,192 3,195 5,198 4,199 14,202 3,204 5,207 1,211 2,212 7,215 1,217 6,220 3,223 1,224 11,229 5,232 3,236 3,237 10,240 1,242 5,245 3,249 2,250 7,253 2,255 1,258 4,262 2,263 8,266 1,268 1,271 7,275 2146,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.152,282 19.567,283 12.894,284 22.584,285 18.342,286 18.342,287 18.342,288 18.342,289 18.342,290 13.781,291 26.125,292 6.227,293 19.154,294 4.145,295 1.994,296 1.187,297 0.814,298 0.768,299 0.768,300 4.249,304 1,305 1,306 1063,307 4.743,310 83.907,311 347.962,314 151.191,318 2.547,319 41.445,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 74.5,331 500,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.659,339 12.767,340 3.217,341 4.512,342 3.553,343 6.365,344 4.016,345 3.062,346 4.449,347 0.564,348 9.835,349 2.939,350 4.128,351 3.18,352 6.322,353 3.909,354 2.955,355 3.695,356 0.133,357 9.671,358 2.79,359 3.995,360 3.049,361 6.045,362 3.682,363 2.712,364 3.448,366 8.782,367 2.611,368 3.911,369 2.734,370 5.397,371 3.541,372 2.554,373 3.07,375 7.094,376 2.52,377 3.7,378 2.707,379 5.287,380 3.315,381 2.344,382 2.984,384 6.764,385 2.261,386 3.4,387 2.139,388 4.875,389 2.889,390 1.923,391 2.733,393 5.393,394 1.853,395 3.177,396 1.814,397 4.7,398 2.697,399 1.744,400 2.414,402 5.026,403 1.655,404 3.013,405 1.646,406 4.452,407 2.488,408 1.52,409 2.255,411 4.343,412 1.477,413 2.909,414 1.523,415 4.227,416 2.46,417 1.471,418 2.071,420 3.546,421 1.441,422 2.733,423 1.334,424 3.623,425 2.214,426 1.236,427 1.824,428 3.118,429 1.205,430 2.579,431 1.105,432 3.498,433 2.024,434 1.084,435 1.614,436 2.498,437 1.015,438 2.5,439 1.063,440 3.278,441 2,442 1,443 1.5,445 2.136,446 1,447 1.903,448 1,449 3.247,450 1.523,451 0.569,452 0.658,454 1.317,455 0.539,456 1.787,457 0.441,458 3.162,459 1.374,460 0.41,461 0.609,463 1.079,464 0.394,465 16.133,466 0.475,467 1.17,468 0.034,469 47.25,470 1.39,471 25,472 0.735,473 22.25,474 0.654,475 27.959,476 0.822,477 36.667,478 0.621,479 39.132,480 1.151,481 9.081,482 0.267,483 7.008,484 0.206,485 0.155,486 0.083,487 0.242,493 0.619,494 1.397,495 0.801,496 1.223,497 0.663,498 0.952,499 0.499,500 1.008,501 0.777,502 0.926,503 0.484,504 0.88,505 1.072,506 1.273,507 1.186,508 1.249,509 0.989,510 1.201,511 0.997,512 0.901,513 1.191,514 1.07,515 1.022,516 0.825,517 1.807,518 0.948,519 1.047,520 0.803,521 2.049,522 0.876,523 1.191,524 1.34,525 1.085,526 1.199,527 1.069,528 1.135,529 1.312,530 0.894,531 0.935,532 0.758,533 1.273,534 0.804,535 0.985,536 1.12,537 0.936,538 1.007,539 0.958,540 1.088,541 10,542 0.205,543 3.556,544 2.792,545 1.644,546 1.407,547 0.799,548 0.615,549 0.449,550 0.335,551 18194,552 52327,553 2.028,554 42.4,556 10,557 1,558 2,559 3,561 9,564 1.756,565 1.872,566 3.806,567 0.899,573 102.531,574 1.738,575 3.889,576 4.696,577 5.068,578 5.115,579 5.115,580 3.282,581 4.433,582 5.055,583 4.028,584 2259.6,585 8.843,586 36095.4,591 347.076,592 1.659,593 4.993,594 0.27,595 0.007,596 0.066,597 0.056,598 0.033,599 0.031,600 0.018,601 0.015,602 0.012,603 0.01,604 0.517,605 0.33,606 0.75,607 1.04,608 185.593,609 0.059,610 -0.157,611 0.183,612 -0.084,613 -0.145,614 0.01,615 0.375,616 0.126,617 0.131,618 0.072,619 0.283,620 0.062,621 -0.159,622 -0.19,623 -0.161,624 -0.189,625 -0.128,626 -0.234,627 0.106,628 0.045,629 0.077,630 0.052,631 0.126,632 0.197,633 -0.307,634 0.022,635 -0.099,636 0.104,637 -0.31,638 0.029,639 -0.166,640 -0.274,641 -0.147,642 -0.233,643 -0.071,644 -0.201,645 -0.116,646 0.092,647 0.032,648 0.129,649 -0.107,650 0.119,651 -0.02,652 -0.062,653 -0.09,654 -0.098,655 -0.053,656 -0.157,657 4.644,658 5.669,659 0.618,660 44.661,661 1.012,662 1.132,663 2.525,664 6.377,665 0.676,666 3.638,667 4.007,668 4.174,669 4.454,670 4.625,671 4.691,672 4.883,673 5.004,674 5.112,675 5.236,676 8.586,677 0.648,678 479.62,679 3.638,680 5.209,681 6.038,682 6.936,683 7.783,684 8.683,685 9.54,686 10.44,687 11.305,688 12.206,689 11.9,691 1,696 2,697 1,699 3,703 1,704 11,705 3,709 5,711 22,731 59,733 25,734 1,735 37,737 62,738 23,739 17,740 1,741 5,746 4,747 5,751 1,752 3,761 18,762 5,763 1,766 3,769 1,771 3,775 1,781 25,782 9,783 3,784 11,785 1,790 7,794 0.75,795 3,805 2,811 1,812 3,815 1,840 3,842 1,844 3,848 34,852 1,854 1,855 3,860 1,867 1,870 5.1,873 3,877 18.167,878 11.383,879 7.139,880 3.239,881 4.131,882 1.509,883 0.982,884 6.666,885 12.246,886 3.951,887 4.608,888 5.114,889 5.726,890 6.249,891 6.572,892 7.083,893 7.508,894 7.859,895 8.297,896 0.9,897 50,898 12.809,900 5.732,901 7.936,902 23.547,904 19.277,905 2.436,906 82.833,910 258.964,911 156.339,912 103.825,914 69.458,916 5.807,917 150.531,918 328.422,919 103.825,920 26.476,921 38.127,922 107.07,923 144.949,924 30.366,925 17.946,926 223.651,928 258.964,929 254.356,930 69.458,931 5.807,933 153.024,934 175.398,937 103.881,938 100.241,939 56.042,941 258.964,942 173.282,943 156.339,945 5.807,946 258.964,947 21.103,948 130.592,949 52.426,950 119.692,951 258.964,952 173.282,953 156.339,955 0.595,956 0.313,957 0.169,958 0.088,959 26,960 12,961 0.113,962 7,963 1,964 1.095,965 4.493,966 309.528,967 0.095,968 21,969 162.219,973 1,974 23.833,975 9.51,976 6.187,977 0.522,978 172.118,979 19.181,980 12.692,984 2.477,986 52.426,987 588.585,988 51,991 -3.728,993 37.536,997 -0.423,999 59.723,1000 66.773,1001 0.295,1002 0.661,1003 0.798,1004 0.862,1005 0.87,1006 0.87,1007 5.207,1008 1.744,1009 6.089,1010 5.393,1011 4.691,1012 5.296,1013 1.848,1014 6.942,1015 4.604,1016 6.47,1017 1.52,1018 7.681,1019 5.026,1020 4.575,1021 5.38,1022 1.195,1023 8.184,1024 4.43,1025 7.826,1026 1.471,1027 9.385,1028 4.343,1029 6.405,1030 7.616,1031 2.443,1032 11.158,1033 6.212,1034 9.22,1035 1.236,1036 11.158,1037 3.546,1038 7.04,1039 8.48,1040 2.324,1041 13.184,1042 6.773,1043 10.646,1044 1.084,1045 12.975,1046 3.118,1047 8.44,1048 10.274,1049 3.261,1050 15.802,1051 8.123,1052 12.095,1053 1,1054 14.824,1055 2.498,1056 9.39,1057 11.495,1058 3.415,1059 18.128,1060 8.993,1061 13.564,1062 0.569,1063 16.697,1064 2.136,1065 10.644,1066 13.123,1067 4.173,1068 20.661,1069 10.19,1070 3.464,1071 0.41,1072 18.589,1073 1.317,1074 11.734,1075 14.511,1076 4.478,1077 23.107,1078 11.197,1079 3.062,1080 12.767,1081 20.496,1082 1.079,1083 12.943,1084 16.074,1085 5.131,1086 25.629,1087 12.341,1088 2.955,1089 9.835,1090 22.416,1091 4.714,1092 14.096,1093 17.539,1094 5.522,1095 28.127,1096 13.413,1097 2.712,1098 9.671,1099 24.347,1100 4.449,1101 15.297,1102 19.08,1103 6.114,1104 30.653,1105 14.542,1106 2.554,1107 8.782,1108 26.286,1109 3.695,1110 16.482,1111 20.58,1112 6.554,1113 33.175,1114 15.646,1115 2.344,1116 7.094,1117 28.234,1118 3.448,1119 17.687,1120 22.114,1121 7.11,1122 35.708,1123 16.776,1124 1.923,1125 6.764,1126 30.188,1127 3.07,1128 18.889,1129 23.632,1130 7.577,1131 38.241,1132 17.897,1133 17469,1134 29869,1135 24.038,1136 39.904,1137 56.895,1138 57.808,1139 56.418,1140 56.106,1141 56.102,1142 76.077,1143 4.711,1144 166.737,1145 53.835,1146 5.773,1147 6.691,1148 7.158,1149 5.466,1150 5.464,1151 7.714,1152 2.921,1153 20.458,1154 5.217,1155 19.494,1156 1.538,1157 1.562,1158 1.525,1159 1.516,1160 1.516,1161 2.056,1162 0.127,1163 4.506,1164 1.455,1165 4.142,1166 4.18,1167 4.736,1168 4.072,1169 7.717,1170 4.022,1171 4.019,1172 4.02,1173 4.08,1174 3.888,1175 7.431,1176 3.864,1177 3.914,1178 3.949,1179 3.839,1180 3.848,1181 6.999,1182 3.841,1183 3.722,1184 3.78,1185 3.69,1186 3.577,1187 5.154,1188 3.577,1189 3.564,1190 3.609,1191 3.499,1192 3.407,1193 4.846,1194 3.379,1195 3.48,1196 3.489,1197 3.467,1198 3.259,1199 4.755,1200 3.276,1201 3.243,1202 3.305,1203 3.174,1204 3.058,1205 4.369,1206 3.068,1207 3.014,1208 3.069,1209 2.908,1210 2.807,1211 4.327,1212 2.831,1213 0.132,1214 0.127,1215 0.199,1216 0.119,1217 0.094,1218 4.877,1219 0.127,1220 4.691,1221 0.045,1222 7.356,1223 0.345,1224 4.395,1225 0.087,1226 3.464,1227 4.714,1228 1.659,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.04,1234 2.102,1235 1.22,1236 2.105,1237 1.91,1238 1.879,1239 2.032,1240 2.005,1241 1.15,1242 2.017,1243 1.826,1244 1.81,1245 1.963,1246 1.98,1247 1.137,1248 1.996,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.462,1256 1.401,1257 1.608,1258 1.775,1259 0.692,1260 1.724,1261 1.313,1262 1.328,1263 1.417,1264 1.492,1265 0.482,1266 1.525,1267 1.22,1268 1.148,1269 1.417,1270 1.486,1271 0.469,1272 1.47,1273 0.934,1274 0.873,1275 1.39,1276 1.239,1277 0.469,1278 1.308,1279 4.317,1281 5.673,1282 2.398,1283 7.197,1284 4.727,1285 8.795,1286 6.823,1287 10.436,1289 5.316,1295 0.376,1296 7.994,1301 -0.62,1305 38.222,1306 102.531,1307 229.459,1308 277.037,1309 299.037,1310 301.792,1311 301.792,1312 76.158,1313 8.115,1314 130.38,1315 138.76,1316 23,1317 12.734,1318 4.7,1319 3.907,1320 57.226,1321 177,1322 182,1323 0.158,1324 240.299,1325 406.26,1326 578.09,1327 42846,1329 24.347,1330 0.716,1331 0.582,1332 24.597,1333 19.796,1334 16.088,1335 0.435,1336 0.325,1337 10.504,1338 14.682,1339 10.018,1340 8.423,1341 16.909,1342 12.02,1343 16.203,1344 0.3,1345 0.193,1346 17.489,1347 10.396,1348 11.453,1349 0.179,1350 0.1,1351 12.63,1352 6.375,1353 10.095,1354 0.119,1355 0.054,1356 11.332,1357 4.622,1358 7.531,1359 0.075,1360 0.028,1361 8.244,1362 2.811,1363 0.256,1364 109.425,1365 0.204,1366 32.058,1367 0.413,1368 182,1369 565.646,1370 239.528,1371 572.068,1372 775.54,1373 526,1374 209,1375 552.131,1376 276.356,1377 596.829,1378 862.14,1379 555,1380 4.7}
{0 CHEMBL2057361,1 1.715,2 15.486,3 2.952,4 8.714,5 134.239,6 7.962,7 0.579,8 4.229,9 4.348,10 3.968,11 3.77,12 5.335,13 3.74,14 4.759,15 4.928,16 4.286,17 4.152,18 6.056,19 4.107,20 5.005,21 5.199,22 4.305,23 4.298,24 6.123,25 4.206,26 5.142,27 5.389,28 4.268,29 4.25,30 6.321,31 4.148,32 4.977,33 5.182,34 4.147,35 4.11,36 6.226,37 4.063,38 4.849,39 5.051,40 4.126,41 4.083,42 6.042,43 4.022,44 4.912,45 5.153,46 4.074,47 4.005,48 6.099,49 3.955,50 4.682,51 4.874,52 3.968,53 3.934,54 5.901,55 3.873,56 0.145,57 1.005,58 14.719,59 5.535,60 19.487,61 6.845,62 0.567,63 1.556,64 24.732,65 9.319,66 69.988,67 12.055,68 0.454,69 1.866,70 34.998,71 11.948,72 62.29,73 15.199,74 0.845,75 1.886,76 50.616,77 14.815,78 116.017,79 18.903,80 0.829,81 1.615,82 34.805,83 10.169,84 121.272,85 12.676,86 0.359,87 1.574,88 29.326,89 9.479,90 49.045,91 12.716,92 0.761,93 1.547,94 33.887,95 8.768,96 86.204,97 12.1,98 0.456,99 1.318,100 23.295,101 7.82,102 58.132,103 10.476,104 40,105 55,106 0.272,107 0.618,108 0.76,109 0.817,110 0.824,111 0.824,112 3.588,113 0.988,114 -3.97,115 -3.92,116 -3.72,119 38.7,120 3,121 1,125 1,130 1,142 8,143 3,144 1,145 2,150 1,151 1,159 1,161 1,166 1,172 11,174 3,175 4,178 6,179 1,180 4,183 14,187 9,190 1,192 2,195 7,198 4,199 14,202 3,204 5,207 2,211 2,212 6,215 1,217 6,220 3,223 1,224 11,229 6,232 3,236 3,237 9,240 1,242 6,245 3,249 2,250 7,253 2,255 2,258 4,262 2,263 10,266 1,268 1,271 6,275 2412,276 22.797,277 22.797,278 22.797,279 22.797,280 22.797,281 19.859,282 19.567,283 13.38,284 23.299,285 18.842,286 18.842,287 18.842,288 18.842,289 18.842,290 14.281,291 22.636,292 6.455,293 19.662,294 4.239,295 2.059,296 1.162,297 0.807,298 0.763,299 0.763,300 4.277,305 1,306 1152,307 4.848,310 87.815,311 365.244,314 158.551,318 2.7,319 41.694,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 76.5,331 542,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.835,349 2.939,350 4.127,351 3.18,352 6.322,353 3.909,354 2.955,355 3.695,357 9.671,358 2.79,359 3.995,360 3.048,361 6.045,362 3.68,363 2.711,364 3.445,366 8.782,367 2.609,368 3.899,369 2.725,370 5.359,371 3.527,372 2.532,373 3.072,375 6.99,376 2.521,377 3.719,378 2.713,379 5.322,380 3.353,381 2.386,382 2.988,384 6.86,385 2.291,386 3.404,387 2.14,388 4.877,389 2.898,390 1.938,391 2.736,393 5.412,394 1.859,395 3.18,396 1.814,397 4.719,398 2.708,399 1.756,400 2.416,402 5.067,403 1.666,404 3.013,405 1.695,406 4.452,407 2.529,408 1.535,409 2.255,411 4.343,412 1.525,413 2.934,414 1.523,415 4.227,416 2.474,417 1.512,418 2.101,420 3.548,421 1.449,422 2.734,423 1.365,424 3.665,425 2.217,426 1.239,427 1.825,428 3.205,429 1.208,430 2.579,431 1.334,432 3.498,433 2.026,434 1.086,435 1.614,436 2.499,437 1.017,438 2.5,439 1.104,440 3.28,441 2,442 1,443 1.5,445 2.186,446 1,447 2.199,448 1,449 3.273,450 1.977,451 1,452 1.143,454 2.136,455 0.971,456 1.903,457 0.525,458 3.247,459 1.374,460 0.411,461 0.611,463 1.081,464 0.394,465 16.633,466 0.475,467 1.17,468 0.033,469 47.75,470 1.364,471 25,472 0.714,473 22.75,474 0.65,475 29.733,476 0.85,477 37.967,478 0.612,479 39.56,480 1.13,481 9.105,482 0.26,483 7.483,484 0.214,485 0.15,486 0.08,487 0.234,493 0.616,494 1.401,495 0.811,496 1.23,497 0.659,498 0.97,499 0.494,500 1.026,501 0.789,502 0.949,503 0.479,504 0.907,505 1.067,506 1.215,507 1.165,508 1.2,509 0.974,510 1.161,511 0.96,512 0.935,513 1.176,514 1.1,515 1.013,516 0.861,517 1.845,518 0.93,519 1.08,520 0.797,521 2.094,522 0.896,523 1.015,524 1.349,525 1.013,526 1.196,527 0.864,528 1.115,529 1.411,530 0.856,531 0.965,532 0.736,533 1.347,534 0.795,535 1.071,536 1.146,537 0.948,538 1.039,539 1.082,540 1.105,541 10,542 0.235,543 3.556,544 2.917,545 1.484,546 1.462,547 0.777,548 0.672,549 0.417,550 0.353,551 20171,552 56410,553 2.027,554 43.5,556 10,557 1,558 2,559 3,561 11,564 1.762,565 1.875,566 3.872,567 0.877,573 106.333,574 1.715,575 3.895,576 4.792,577 5.147,578 5.192,579 5.192,580 3.389,581 4.765,582 5.095,583 4.103,584 2441.1,585 8.921,586 40420.8,591 369.16,592 1.637,593 5.037,594 0.263,595 0.007,596 0.065,597 0.057,598 0.029,599 0.032,600 0.017,601 0.016,602 0.011,603 0.01,604 0.507,605 0.33,606 0.75,607 1.022,608 193.667,609 0.066,610 -0.152,611 0.182,612 -0.081,613 -0.136,614 0.01,615 0.378,616 0.111,617 0.126,618 0.057,619 0.287,620 0.048,621 -0.15,622 -0.136,623 -0.134,624 -0.144,625 -0.117,626 -0.185,627 0.126,628 0.013,629 0.071,630 0.021,631 0.13,632 0.158,633 -0.321,634 0.04,635 -0.126,636 0.105,637 -0.336,638 0.01,639 -0.083,640 -0.294,641 -0.069,642 -0.223,643 -0.002,644 -0.157,645 -0.147,646 0.143,647 0.006,648 0.136,649 -0.12,650 0.112,651 -0.023,652 -0.096,653 -0.089,654 -0.121,655 -0.045,656 -0.17,657 4.644,658 5.681,659 0.6,660 48.473,661 1.01,662 1.132,663 2.736,664 7.488,665 0.672,666 3.664,667 4.025,668 4.19,669 4.466,670 4.625,671 4.7,672 4.883,673 5.004,674 5.1,675 5.226,676 9.013,677 0.641,678 493.65,679 3.664,680 5.231,681 6.057,682 6.952,683 7.795,684 8.693,685 9.547,686 10.446,687 11.308,688 12.208,689 11.3,691 1,696 2,697 1,699 3,703 1,704 11,705 3,709 5,711 22,731 62,733 25,734 1,735 38,737 65,738 24,739 17,740 1,741 5,746 4,747 5,751 1,752 3,758 1,761 18,762 6,763 1,766 3,769 1,771 3,775 1,781 27,782 9,783 3,784 11,785 1,790 7,794 0.75,795 3,805 2,811 1,812 3,815 1,840 3,842 1,844 3,848 35,852 1,854 2,855 3,860 1,867 1,870 4.8,873 3,877 18.667,878 11.883,879 7.389,880 3.489,881 4.104,882 1.503,883 0.979,884 7.174,885 12.264,886 3.97,887 4.618,888 5.12,889 5.729,890 6.243,891 6.569,892 7.077,893 7.499,894 7.842,895 8.281,896 1,897 51,898 13.189,900 5.875,901 7.91,902 24.364,904 19.944,905 2.41,906 84.333,910 282.506,911 158.873,912 103.825,914 69.458,916 5.807,917 153.066,918 351.964,919 103.825,920 26.476,921 40.662,922 107.07,923 144.949,924 30.366,925 17.946,926 247.193,928 282.506,929 256.89,930 69.458,931 5.807,933 153.024,934 198.94,937 106.416,938 100.241,939 56.042,941 282.506,942 173.282,943 158.873,945 5.807,946 282.506,947 23.638,948 130.592,949 52.426,950 119.692,951 282.506,952 173.282,953 158.873,955 0.593,956 0.311,957 0.168,958 0.086,959 26,960 12,961 0.123,962 8,963 1,964 1.095,965 4.611,966 318.392,967 0.095,968 21,969 168.77,973 1,974 24.802,975 10.124,976 6.637,977 0.527,978 172.118,979 19.528,980 12.719,984 2.655,986 52.426,987 614.662,988 52,991 -3.728,993 37.577,997 -0.398,999 62.607,1000 70.188,1001 0.288,1002 0.654,1003 0.805,1004 0.864,1005 0.872,1006 0.872,1007 5.223,1008 1.756,1009 6.103,1010 5.412,1011 4.71,1012 5.306,1013 1.758,1014 6.95,1015 4.624,1016 6.48,1017 1.535,1018 7.69,1019 5.067,1020 4.575,1021 5.38,1022 1.195,1023 8.184,1024 4.43,1025 7.834,1026 1.512,1027 9.391,1028 4.343,1029 6.415,1030 7.619,1031 2.415,1032 11.16,1033 6.224,1034 9.225,1035 1.239,1036 11.162,1037 3.548,1038 7.04,1039 8.48,1040 2.324,1041 13.184,1042 6.774,1043 10.649,1044 1.086,1045 12.977,1046 3.205,1047 8.444,1048 10.275,1049 3.244,1050 15.802,1051 8.131,1052 12.097,1053 1,1054 14.826,1055 2.499,1056 9.39,1057 11.495,1058 3.407,1059 18.127,1060 8.995,1061 13.565,1062 1,1063 16.698,1064 2.186,1065 10.646,1066 13.123,1067 4.156,1068 20.661,1069 10.195,1070 3.464,1071 0.411,1072 18.59,1073 2.136,1074 11.734,1075 14.511,1076 4.464,1077 23.107,1078 11.199,1079 3.062,1080 12.767,1081 20.497,1082 1.081,1083 12.943,1084 16.074,1085 5.111,1086 25.629,1087 12.344,1088 2.955,1089 9.835,1090 22.416,1091 4.714,1092 14.096,1093 17.539,1094 5.504,1095 28.127,1096 13.414,1097 2.711,1098 9.671,1099 24.347,1100 4.449,1101 15.297,1102 19.08,1103 6.091,1104 30.653,1105 14.544,1106 2.532,1107 8.782,1108 26.286,1109 3.695,1110 16.481,1111 20.58,1112 6.531,1113 33.175,1114 15.647,1115 2.386,1116 6.99,1117 28.234,1118 3.445,1119 17.687,1120 22.114,1121 7.083,1122 35.708,1123 16.776,1124 1.938,1125 6.86,1126 30.188,1127 3.072,1128 18.889,1129 23.632,1130 7.551,1131 38.241,1132 17.898,1133 19357,1134 32634,1135 24.731,1136 41.665,1137 58.094,1138 58.885,1139 57.705,1140 57.194,1141 57.171,1142 77.124,1143 3.806,1144 168.763,1145 54.913,1146 5.793,1147 6.691,1148 7.158,1149 5.466,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.217,1155 19.944,1156 1.529,1157 1.55,1158 1.519,1159 1.505,1160 1.505,1161 2.03,1162 0.1,1163 4.441,1164 1.445,1165 4.142,1166 4.18,1167 4.736,1168 4.072,1169 7.717,1170 4.023,1171 4.019,1172 4.02,1173 4.08,1174 3.888,1175 7.431,1176 3.864,1177 3.921,1178 3.956,1179 3.842,1180 3.858,1181 6.999,1182 3.85,1183 3.724,1184 3.781,1185 3.692,1186 3.578,1187 5.154,1188 3.577,1189 3.601,1190 3.66,1191 3.516,1192 3.411,1193 4.846,1194 3.401,1195 3.501,1196 3.509,1197 3.489,1198 3.342,1199 4.752,1200 3.327,1201 3.315,1202 3.37,1203 3.222,1204 3.132,1205 4.369,1206 3.139,1207 3.118,1208 3.168,1209 3.036,1210 2.889,1211 4.328,1212 2.923,1213 0.128,1214 0.123,1215 0.194,1216 0.116,1217 0.091,1218 4.877,1219 0.124,1220 4.691,1221 0.044,1222 7.356,1223 0.336,1224 4.395,1225 0.085,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.057,1234 2.102,1235 1.227,1236 2.105,1237 1.92,1238 1.889,1239 2.032,1240 2.011,1241 1.22,1242 2.028,1243 1.826,1244 1.81,1245 1.963,1246 1.98,1247 1.137,1248 1.996,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.529,1256 1.464,1257 1.738,1258 1.814,1259 0.888,1260 1.78,1261 1.338,1262 1.334,1263 1.454,1264 1.586,1265 0.483,1266 1.57,1267 1.3,1268 1.253,1269 1.417,1270 1.487,1271 0.469,1272 1.524,1273 1.001,1274 0.948,1275 1.417,1276 1.285,1277 0.469,1278 1.308,1279 4.344,1281 5.694,1282 2.398,1283 7.212,1284 4.727,1285 8.806,1286 6.823,1287 10.443,1289 5.32,1295 1.188,1296 8.046,1301 -0.619,1305 39.749,1306 106.333,1307 241.491,1308 297.121,1309 319.121,1310 321.876,1311 321.876,1312 80.248,1313 8.16,1314 130.38,1315 138.76,1316 23,1317 12.738,1318 4.7,1319 3.907,1320 59.896,1321 190,1322 201,1323 0.152,1324 249.891,1325 423.56,1326 601.495,1327 46414,1329 25.054,1330 0.716,1331 0.586,1332 25.304,1333 20.503,1334 16.588,1335 0.437,1336 0.329,1337 11.004,1338 15.179,1339 10.512,1340 8.828,1341 17.409,1342 12.52,1343 16.556,1344 0.301,1345 0.195,1346 17.843,1347 10.72,1348 11.695,1349 0.18,1350 0.102,1351 12.872,1352 6.621,1353 10.33,1354 0.12,1355 0.056,1356 11.567,1357 4.809,1358 7.549,1359 0.075,1360 0.029,1361 8.262,1362 2.909,1363 0.248,1364 112.425,1365 0.201,1366 32.992,1367 0.394,1368 186,1369 569.646,1370 243.528,1371 576.056,1372 781.22,1373 530,1374 213,1375 556.131,1376 280.189,1377 600.507,1378 867.02,1379 559,1380 5.5}
{0 CHEMBL2057362,1 1.771,2 15,3 1.834,4 3.364,5 135.113,6 8.01,7 0.538,8 4.271,9 4.39,10 4.008,11 3.764,12 5.396,13 3.746,14 4.809,15 4.987,16 4.343,17 4.145,18 6.095,19 4.119,20 5.017,21 5.199,22 4.359,23 4.292,24 6.164,25 4.224,26 5.198,27 5.432,28 4.319,29 4.294,30 6.383,31 4.204,32 5.061,33 5.27,34 4.19,35 4.158,36 6.291,37 4.105,38 4.959,39 5.191,40 4.152,41 4.113,42 6.089,43 4.048,44 4.941,45 5.177,46 4.156,47 4.015,48 6.189,49 3.976,50 4.738,51 4.927,52 3.983,53 3.943,54 5.965,55 3.892,56 0.22,57 1.039,58 15.244,59 5.571,60 22.085,61 7.01,62 0.645,63 1.585,64 26.645,65 9.372,66 74.673,67 12.367,68 0.628,69 1.853,70 34.983,71 11.233,72 67.117,73 14.333,74 1.078,75 1.911,76 52.327,77 14.414,78 125.011,79 18.618,80 1.057,81 1.671,82 37.991,83 10.738,84 131.92,85 14.039,86 0.585,87 1.624,88 34.704,89 10,90 60.831,91 14.262,92 0.982,93 1.513,94 34.69,95 8.696,96 95.581,97 12.6,98 0.657,99 1.33,100 24.947,101 7.564,102 76.913,103 10.218,104 68,105 58,106 0.28,107 0.65,108 0.796,109 0.827,110 0.827,111 0.827,112 3.615,113 0.978,114 -3.2,115 -3.19,116 -3.06,119 35.9,120 5,121 1,125 1,130 1,142 3,143 3,144 1,145 2,146 1,150 1,151 1,152 1,159 1,161 1,166 2,172 5,174 3,175 8,178 6,179 1,180 4,183 8,187 13,190 1,192 2,195 4,198 4,199 14,202 3,204 3,207 2,211 2,212 6,215 3,217 6,220 3,223 1,224 9,229 3,232 3,236 5,237 9,240 3,242 6,245 3,249 2,250 2,253 2,255 1,258 4,262 6,263 8,266 1,268 1,271 6,275 2574,276 23.09,277 23.09,278 23.09,279 23.09,280 23.09,281 20.176,282 21.282,283 13.19,284 23.635,285 19.27,286 19.27,287 19.27,288 19.27,289 19.27,290 14.719,291 23.981,292 6.294,293 20.146,294 4.229,295 1.883,296 0.962,297 0.762,298 0.762,299 0.762,300 4.3,306 1142,307 4.95,310 209.876,311 236.596,314 164.04,318 2.667,319 46.814,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 80,331 540,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.409,344 4.017,345 3.062,346 4.449,347 0.247,348 9.835,349 2.963,350 4.361,351 3.206,352 6.365,353 3.984,354 2.994,355 4.038,357 9.701,358 2.939,359 4.127,360 3.18,361 6.322,362 3.909,363 2.955,364 3.695,366 9.671,367 2.79,368 3.995,369 3.048,370 6.045,371 3.68,372 2.71,373 3.072,375 8.782,376 2.608,377 3.722,378 2.719,379 5.341,380 3.365,381 2.402,382 2.988,384 6.885,385 2.299,386 3.404,387 2.141,388 4.877,389 2.902,390 1.944,391 2.737,393 5.416,394 1.862,395 3.181,396 2.041,397 4.732,398 2.716,399 1.76,400 2.416,402 5.077,403 1.699,404 3.055,405 1.834,406 4.724,407 2.71,408 1.732,409 2.254,411 4.726,412 1.668,413 3.012,414 1.812,415 4.452,416 2.487,417 1.523,418 2.224,420 4.343,421 1.468,422 2.744,423 1.523,424 4.227,425 2.443,426 1.463,427 1.829,428 3.614,429 1.425,430 2.725,431 1.334,432 4.069,433 2.214,434 1.236,435 1.787,436 3.526,437 1.205,438 2.579,439 1.248,440 3.498,441 2.024,442 1.084,443 1.614,445 2.498,446 1.015,447 2.147,448 1.104,449 3.34,450 1.856,451 0.881,452 1.067,454 2.027,455 0.855,456 1.903,457 0.588,458 3.278,459 1.374,460 0.411,461 0.611,463 1.081,464 0.395,465 16.867,466 0.469,467 1.348,468 0.037,469 47,470 1.306,471 23,472 0.639,473 24,474 0.667,475 33.721,476 0.937,477 40.133,478 0.627,479 39.667,480 1.102,481 8.941,482 0.248,483 7.969,484 0.221,485 0.208,486 0.079,487 0.291,493 0.617,494 1.478,495 0.799,496 1.296,497 0.658,498 1.012,499 0.549,500 1.063,501 0.703,502 0.926,503 0.469,504 0.829,505 1.172,506 1.243,507 1.194,508 1.2,509 1.03,510 1.154,511 1.069,512 0.972,513 1.261,514 1.145,515 1.049,516 0.949,517 1.549,518 0.944,519 1.074,520 0.851,521 1.94,522 0.969,523 0.923,524 1.18,525 0.927,526 1.049,527 0.819,528 0.986,529 1.051,530 0.882,531 0.88,532 0.782,533 1.193,534 0.815,535 1.277,536 1.083,537 1.064,538 0.99,539 1.412,540 1.119,541 11,542 0.326,543 4.667,544 3.771,545 1.618,546 1.452,547 0.906,548 0.688,549 0.481,550 0.358,551 21453,552 63852,553 1.994,554 43.8,556 5,557 1,558 2,559 3,560 6,561 11,564 1.769,565 1.815,566 3.812,567 0.911,573 113.352,574 1.771,575 4.117,576 5.038,577 5.238,578 5.238,579 5.238,580 3.241,581 4.705,582 5.139,583 4.101,584 2583.69,585 9.004,586 43842.7,591 384,592 1.747,593 5.06,594 0.282,595 0.01,596 0.08,597 0.07,598 0.031,599 0.031,600 0.02,601 0.015,602 0.013,603 0.009,604 0.56,605 0.33,606 0.75,607 1.057,608 200.844,609 0.097,610 -0.177,611 0.182,612 -0.098,613 -0.12,614 -0.006,615 0.306,616 0.076,617 0.217,618 0.103,619 0.298,620 0.149,621 -0.222,622 -0.119,623 -0.17,624 -0.119,625 -0.147,626 -0.18,627 -0.004,628 -0.004,629 -0.049,630 -0.026,631 0.073,632 0.06,633 -0.246,634 0.015,635 -0.136,636 0.06,637 -0.308,638 -0.039,639 -0.075,640 -0.168,641 0.026,642 -0.078,643 -0.006,644 0.001,645 0.069,646 0.105,647 0.079,648 0.102,649 0.011,650 0.108,651 -0.184,652 -0.016,653 -0.201,654 -0.071,655 -0.189,656 -0.191,657 4.655,658 5.692,659 0.556,660 49.306,661 1.016,662 1.139,663 1.967,664 3.868,665 0.658,666 3.689,667 4.078,668 4.263,669 4.533,670 4.635,671 4.718,672 4.913,673 5.017,674 5.124,675 5.247,676 9.136,677 0.633,678 512.66,679 3.689,680 5.273,681 6.111,682 7.017,683 7.871,684 8.775,685 9.637,686 10.54,687 11.408,688 12.31,689 12.5,691 1,696 2,697 1,699 4,703 1,704 6,705 4,707 1,709 7,711 21,731 64,733 24,735 39,737 67,738 23,739 14,746 4,747 5,751 1,752 5,758 1,761 15,762 8,763 1,766 3,769 1,771 3,775 1,781 28,782 11,783 3,784 13,785 1,789 1,790 8,794 0.75,795 4,805 2,811 2,812 2,815 1,840 3,842 1,844 5,848 36,852 1,854 2,855 3,860 1,867 1,870 6.3,873 3,875 1,877 19.833,878 13.083,879 7.528,880 3.628,881 3.984,882 1.483,883 0.964,884 7.253,885 12.226,886 3.98,887 4.654,888 5.17,889 5.773,890 6.206,891 6.566,892 7.08,893 7.498,894 7.843,895 8.281,896 0.9,897 54,898 13.552,900 6.035,901 7.949,902 24.904,904 20.314,905 2.449,906 88.167,910 294.278,911 137.348,912 123.421,914 79.192,916 5.807,917 131.541,918 373.47,919 123.421,920 44.126,921 40.662,922 59.689,923 164.546,924 42.857,925 23.395,926 258.964,928 294.278,929 254.962,930 79.192,931 5.807,933 164.795,934 208.674,937 126.823,938 58.308,939 75.638,941 294.278,942 202.613,943 137.348,945 5.807,946 294.278,947 31.843,948 100.861,949 52.426,950 149.023,951 294.278,952 202.613,953 137.348,955 0.603,956 0.325,957 0.173,958 0.083,959 28,960 14,961 0.119,962 8,963 1,964 1.1,965 4.612,966 333.726,967 0.1,968 20,969 179.362,973 1,974 25.923,975 10.072,976 6.354,977 0.51,978 201.449,979 9.607,980 16.609,982 5.128,984 3.968,986 52.426,987 634.239,988 52.5,991 -3.738,993 37.669,997 -0.439,999 65.036,1000 72.896,1001 0.295,1002 0.686,1003 0.84,1004 0.873,1005 0.873,1006 0.873,1007 5.254,1008 1.76,1009 6.176,1010 5.416,1011 4.762,1012 5.342,1013 1.758,1014 7.047,1015 4.676,1016 6.528,1017 1.732,1018 7.784,1019 5.077,1020 4.691,1021 5.497,1022 1.195,1023 8.293,1024 4.557,1025 7.895,1026 1.523,1027 9.502,1028 4.726,1029 6.494,1030 7.682,1031 2.415,1032 11.278,1033 6.309,1034 9.299,1035 1.463,1036 11.283,1037 4.343,1038 7.163,1039 8.607,1040 2.324,1041 13.292,1042 6.922,1043 10.733,1044 1.236,1045 13.105,1046 3.614,1047 8.543,1048 10.359,1049 3.244,1050 15.907,1051 8.251,1052 12.19,1053 1.084,1054 14.956,1055 3.526,1056 9.513,1057 11.616,1058 3.407,1059 18.216,1060 9.158,1061 13.665,1062 0.881,1063 16.828,1064 2.498,1065 10.755,1066 13.215,1067 4.156,1068 20.739,1069 10.344,1070 3.464,1071 0.411,1072 18.717,1073 2.027,1074 11.851,1075 14.618,1076 4.464,1077 23.17,1078 11.372,1079 3.062,1080 12.767,1081 20.62,1082 1.081,1083 13.051,1084 16.163,1085 5.111,1086 25.681,1087 12.511,1088 2.994,1089 9.835,1090 22.534,1091 4.714,1092 14.202,1093 17.63,1094 5.504,1095 28.168,1096 13.592,1097 2.955,1098 9.701,1099 24.458,1100 4.449,1101 15.395,1102 19.158,1103 6.091,1104 30.686,1105 14.717,1106 2.71,1107 9.671,1108 26.39,1109 4.038,1110 16.574,1111 20.655,1112 6.531,1113 33.2,1114 15.823,1115 2.402,1116 8.782,1117 28.33,1118 3.695,1119 17.771,1120 22.179,1121 7.083,1122 35.728,1123 16.947,1124 1.944,1125 6.885,1126 30.276,1127 3.072,1128 18.966,1129 23.692,1130 7.551,1131 38.257,1132 18.066,1133 20693,1134 35958,1135 24.849,1136 42.125,1137 60.303,1138 61.497,1139 61.214,1140 59.484,1141 59.478,1142 79.251,1143 3.806,1144 180.438,1145 57.047,1146 5.8,1147 6.691,1148 6.898,1149 5.469,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.173,1155 23.729,1156 1.546,1157 1.577,1158 1.57,1159 1.525,1160 1.525,1161 2.032,1162 0.098,1163 4.627,1164 1.463,1165 4.142,1166 4.181,1167 4.736,1168 4.071,1169 7.717,1170 4.022,1171 4.019,1172 4.02,1173 4.08,1174 3.887,1175 7.431,1176 3.864,1177 3.943,1178 3.969,1179 3.898,1180 3.784,1181 6.999,1182 3.804,1183 3.724,1184 3.781,1185 3.692,1186 3.577,1187 5.203,1188 3.577,1189 3.595,1190 3.652,1191 3.514,1192 3.408,1193 5.151,1194 3.389,1195 3.498,1196 3.505,1197 3.488,1198 3.298,1199 4.845,1200 3.306,1201 3.295,1202 3.355,1203 3.207,1204 3.097,1205 4.369,1206 3.105,1207 3.19,1208 3.287,1209 2.987,1210 3.004,1211 4.329,1212 2.978,1213 0.125,1214 0.12,1215 0.189,1216 0.113,1217 0.089,1218 4.877,1219 0.121,1220 4.691,1221 0.042,1222 7.356,1223 0.327,1224 4.395,1225 0.082,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.189,1242 1.996,1243 1.742,1244 1.701,1245 1.921,1246 1.907,1247 1.137,1248 1.908,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.465,1256 1.404,1257 1.672,1258 1.745,1259 0.799,1260 1.714,1261 1.36,1262 1.329,1263 1.654,1264 1.662,1265 0.694,1266 1.644,1267 1.316,1268 1.3,1269 1.449,1270 1.54,1271 0.483,1272 1.54,1273 1.268,1274 1.191,1275 1.417,1276 1.487,1277 0.469,1278 1.523,1279 4.369,1281 5.74,1282 3.045,1283 7.269,1284 5.416,1285 8.872,1286 7.486,1287 10.516,1289 8.995,1295 0.979,1296 8.001,1301 -0.626,1305 40.485,1306 113.352,1307 263.515,1308 322.451,1309 335.206,1310 335.206,1311 335.206,1312 87.532,1313 8.241,1314 156.41,1315 164.79,1316 22,1317 12.837,1318 4.644,1319 3.858,1320 62.571,1321 199,1322 169,1323 0.152,1324 254.017,1325 428.69,1326 611.561,1327 51229,1329 26.087,1330 0.725,1331 0.596,1332 26.337,1333 21.472,1334 16.91,1335 0.434,1336 0.326,1337 11.164,1338 15.298,1339 10.588,1340 8.901,1341 17.731,1342 12.719,1343 17.248,1344 0.297,1345 0.19,1346 18.535,1347 11.037,1348 12.434,1349 0.178,1350 0.099,1351 13.611,1352 6.92,1353 10.885,1354 0.118,1355 0.054,1356 12.122,1357 5.004,1358 7.551,1359 0.074,1360 0.028,1361 8.264,1362 2.842,1363 0.247,1364 115.716,1365 0.201,1366 33.663,1367 0.393,1368 194,1369 635.027,1370 256.792,1371 630.226,1372 855.46,1373 580,1374 225,1375 622.154,1376 297.841,1377 659.283,1378 950.69,1379 613,1380 5.7}
{0 CHEMBL2057363,1 1.804,2 14,3 0.526,4 0.277,5 122.722,6 8.044,7 0.457,8 4.182,9 4.307,10 3.925,11 3.646,12 5.321,13 3.633,14 4.722,15 4.911,16 4.251,17 4.02,18 6.054,19 4,20 4.929,21 5.102,22 4.293,23 4.196,24 6.172,25 4.129,26 5.13,27 5.374,28 4.247,29 4.17,30 6.382,31 4.088,32 4.93,33 5.138,34 4.142,35 4.022,36 6.291,37 3.991,38 4.777,39 4.967,40 4.093,41 4,42 6.027,43 3.954,44 4.875,45 5.109,46 4.032,47 3.923,48 6.138,49 3.88,50 4.621,51 4.819,52 3.931,53 3.848,54 5.843,55 3.789,56 0.19,57 0.96,58 14.187,59 4.814,60 20.194,61 6.28,62 0.736,63 1.427,64 25.237,65 7.874,66 75.468,67 10.727,68 0.648,69 1.668,70 31.844,71 10.298,72 69.047,73 13.165,74 1.16,75 1.654,76 51.403,77 13.012,78 153.995,79 17.11,80 1.136,81 1.429,82 33.911,83 8.81,84 154.318,85 11.804,86 0.468,87 1.41,88 26.942,89 8.272,90 46.961,91 11.52,92 1.039,93 1.348,94 33.051,95 7.633,96 113.861,97 11.095,98 0.521,99 1.187,100 22.035,101 7.329,102 53.601,103 10.34,104 97,105 52,106 0.291,107 0.646,108 0.782,109 0.8,110 0.8,111 0.8,112 3.531,113 0.98,114 -2.21,115 -2.25,116 -2.22,119 33.9,120 3,124 2,125 1,130 1,142 3,143 2,144 1,145 2,150 1,151 1,158 1,159 1,161 1,166 1,172 4,174 4,175 4,178 6,179 1,180 3,183 6,187 9,190 3,192 1,195 2,198 4,199 13,202 3,204 2,207 1,211 4,212 5,215 3,217 3,220 3,223 1,224 7,229 3,232 3,236 7,237 4,240 1,242 4,245 3,249 4,250 1,253 2,255 1,258 3,262 2,263 6,266 1,268 1,271 3,275 2001,276 20.728,277 20.728,278 20.728,279 20.728,280 20.728,281 18.411,282 19.825,283 11.82,284 21.307,285 17.283,286 17.283,287 17.283,288 17.283,289 17.283,290 13.479,291 23.532,292 5.654,293 18.19,294 4.079,295 1.886,296 1.043,297 0.929,298 0.929,299 0.929,300 4.202,304 1,305 1,306 948,307 5.292,310 83.29,311 215.393,314 149.686,318 2.424,319 48.807,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 74,331 462,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.988,339 12.767,340 3.217,341 4.512,342 3.71,343 6.365,344 4.017,345 3.062,346 4.449,347 1.653,348 9.835,349 2.939,350 4.128,351 3.527,352 6.322,353 3.909,354 2.955,355 3.695,356 0.602,357 9.671,358 2.79,359 3.995,360 3.18,361 6.045,362 3.685,363 2.716,364 3.088,365 0.254,366 8.782,367 2.614,368 3.878,369 3.048,370 5.742,371 3.624,372 2.653,373 3.046,374 0.036,375 7.453,376 2.565,377 3.691,378 2.719,379 5.336,380 3.331,381 2.369,382 2.957,384 6.849,385 2.266,386 3.398,387 2.14,388 4.876,389 2.89,390 1.926,391 2.723,393 5.402,394 1.853,395 3.174,396 1.996,397 4.716,398 2.695,399 1.744,400 2.405,402 5.047,403 1.65,404 3.012,405 1.814,406 4.452,407 2.477,408 1.518,409 2.252,411 4.343,412 1.451,413 2.734,414 1.523,415 4.227,416 2.223,417 1.248,418 1.825,420 3.547,421 1.212,422 2.579,423 1.438,424 3.635,425 2.167,426 1.198,427 1.614,428 2.73,429 1.15,430 2.382,431 1.334,432 3.498,433 2.023,434 1.083,435 1.32,436 2.497,437 1.015,438 1.903,439 1.104,440 3.278,441 1.375,442 0.412,443 0.611,445 1.083,446 0.395,447 1.691,448 0.501,449 3.161,450 1.34,451 0.35,452 0.417,454 0.774,455 0.339,456 1.106,457 0.409,458 2.879,459 0.69,460 -0.29,461 -0.358,463 -0.777,464 -0.28,465 15.367,466 0.466,467 1.335,468 0.04,469 42.75,470 1.295,471 20.5,472 0.621,473 22.25,474 0.674,475 28.887,476 0.875,477 37.433,478 0.634,479 37.948,480 1.15,481 8.312,482 0.252,483 7.026,484 0.213,485 0.249,486 0.087,487 0.28,493 0.646,494 1.677,495 0.81,496 1.387,497 0.641,498 1.058,499 0.574,500 0.947,501 0.73,502 0.811,503 0.494,504 0.754,505 1.1,506 1.295,507 1.213,508 1.305,509 1.052,510 1.25,511 1.092,512 0.91,513 1.195,514 1.067,515 1.165,516 0.83,517 1.45,518 0.808,519 0.995,520 0.712,521 1.603,522 0.822,523 0.953,524 1.447,525 1.014,526 1.289,527 0.828,528 1.185,529 1.285,530 0.748,531 1.003,532 0.708,533 1.293,534 0.825,535 0.701,536 1.178,537 0.825,538 1.103,539 0.761,540 1.136,541 11,542 0.24,543 4.222,544 2.979,545 1.653,546 1.483,547 0.799,548 0.668,549 0.494,550 0.403,551 15258,552 48983,553 1.928,554 44.1,556 11,557 1,558 2,559 3,561 9,564 1.749,565 1.737,566 3.742,567 0.982,569 1,573 106.426,574 1.804,575 3.997,576 4.839,577 4.954,578 4.954,579 4.954,580 3.23,581 4.491,582 5.011,583 3.973,584 2098.01,585 8.76,586 32613.1,591 347.076,592 1.797,593 4.918,594 0.314,595 0.009,596 0.081,597 0.061,598 0.034,599 0.033,600 0.019,601 0.017,602 0.014,603 0.012,604 0.593,605 0.33,606 0.75,607 1.858,608 178.066,609 0.021,610 -0.329,611 0.182,612 -0.157,613 -0.127,614 -0.035,615 0.293,616 0.216,617 0.204,618 0.201,619 0.238,620 0.209,621 -0.168,622 -0.138,623 -0.195,624 -0.187,625 -0.133,626 -0.261,627 0.006,628 0.012,629 0.043,630 0.059,631 0.021,632 0.186,633 -0.143,634 0.159,635 -0.053,636 0.19,637 -0.157,638 0.096,639 -0.11,640 -0.339,641 -0.097,642 -0.259,643 -0.032,644 -0.193,645 -0.115,646 0.228,647 -0.048,648 0.16,649 -0.136,650 0.081,651 0.122,652 -0.104,653 0.012,654 -0.13,655 0.014,656 -0.14,657 4.663,658 5.634,659 0.455,660 42.391,661 1.02,662 1.144,663 0.975,664 0.951,665 0.65,666 3.584,667 3.97,668 4.111,669 4.357,670 4.522,671 4.635,672 4.82,673 4.949,674 5.05,675 5.182,676 8.304,677 0.626,678 474.61,679 3.584,680 5.165,681 5.989,682 6.891,683 7.737,684 8.639,685 9.497,686 10.4,687 11.265,688 12.169,689 13.6,691 1,696 3,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 59,733 20,735 35,737 61,738 20,739 11,746 3,747 4,751 1,752 3,761 13,762 7,763 1,766 4,769 1,771 4,775 2,778 1,781 26,782 11,783 3,784 13,785 1,790 8,794 0.667,795 4,805 2,811 1,812 2,815 1,827 1,840 2,842 1,844 5,848 33,852 1,854 1,855 3,859 1,860 1,867 1,870 6.8,873 4,877 19,878 12.083,879 6.917,880 3.119,881 3.411,882 1.437,883 0.945,884 7.147,885 11.223,886 3.871,887 4.519,888 4.995,889 5.587,890 6.115,891 6.515,892 7.042,893 7.474,894 7.824,895 8.269,896 1,897 49,898 12.458,900 5.541,901 8.101,902 22.511,904 18.022,905 2.601,906 85.833,910 270.735,911 127.269,912 106.949,914 94.603,916 5.807,917 121.462,918 365.338,919 106.949,920 43.268,921 41.252,922 59.689,923 174.799,924 27.181,925 17.946,926 235.422,928 270.735,929 228.411,930 94.603,931 5.807,933 164.795,934 200.543,937 107.005,938 71.171,939 56.042,941 270.735,942 201.552,943 127.269,945 5.807,946 270.735,947 22.622,948 103.128,949 52.426,950 144.837,951 270.735,952 201.552,953 127.269,955 0.604,956 0.314,957 0.154,958 0.08,959 24,960 13,961 0.115,962 7,963 1,964 1.133,965 4.254,966 292.245,967 0.133,968 15,969 157.71,973 1,974 24.741,975 9.533,976 6.557,977 0.463,978 200.388,979 9.415,980 12.486,984 1.31,986 52.426,987 599.556,988 47,991 -3.746,993 48.818,997 -0.872,999 60.152,1000 67.481,1001 0.307,1002 0.679,1003 0.823,1004 0.842,1005 0.842,1006 0.842,1007 5.147,1008 1.744,1009 6.066,1010 5.402,1011 4.654,1012 5.207,1013 2.567,1014 6.932,1015 4.555,1016 6.422,1017 1.518,1018 7.676,1019 5.047,1020 4.635,1021 5.4,1022 2.029,1023 8.205,1024 4.486,1025 7.789,1026 1.248,1027 9.396,1028 4.343,1029 6.392,1030 7.533,1031 3.467,1032 11.166,1033 6.182,1034 9.191,1035 1.198,1036 11.178,1037 3.547,1038 7.083,1039 8.476,1040 3.523,1041 13.194,1042 6.812,1043 10.624,1044 1.083,1045 13.001,1046 2.73,1047 8.444,1048 10.212,1049 4.582,1050 15.81,1051 8.112,1052 12.078,1053 0.412,1054 14.852,1055 2.497,1056 9.42,1057 11.481,1058 4.918,1059 18.133,1060 9.019,1061 13.551,1062 0.35,1063 16.725,1064 1.083,1065 10.656,1066 13.082,1067 5.797,1068 20.665,1069 10.19,1070 3.464,1071 -0.29,1072 18.616,1073 0.774,1074 11.755,1075 14.497,1076 6.284,1077 23.11,1078 11.215,1079 3.062,1080 12.767,1081 20.521,1082 -0.777,1083 12.956,1084 16.05,1085 7.069,1086 25.631,1087 12.346,1088 2.955,1089 9.835,1090 22.438,1091 4.714,1092 14.111,1093 17.529,1094 7.64,1095 28.128,1096 13.425,1097 2.716,1098 9.671,1099 24.366,1100 4.449,1101 15.308,1102 19.065,1103 8.376,1104 30.654,1105 14.549,1106 2.653,1107 8.782,1108 26.303,1109 3.695,1110 16.492,1111 20.573,1112 8.995,1113 33.175,1114 15.655,1115 2.369,1116 7.453,1117 28.248,1118 3.088,1119 17.695,1120 22.106,1121 9.706,1122 35.708,1123 16.781,1124 1.926,1125 6.849,1126 30.2,1127 3.046,1128 18.896,1129 23.627,1130 10.353,1131 38.241,1132 17.904,1133 15312,1134 27643,1135 21.671,1136 38.364,1137 54.303,1138 56.298,1139 54.82,1140 53.421,1141 53.399,1142 70.233,1143 9.065,1144 161.56,1145 50.912,1146 5.796,1147 6.691,1148 6.898,1149 5.466,1150 5.464,1151 7.714,1152 3.466,1153 20.458,1154 5.173,1155 23.775,1156 1.552,1157 1.609,1158 1.566,1159 1.526,1160 1.526,1161 2.007,1162 0.259,1163 4.616,1164 1.455,1165 4.141,1166 4.179,1167 4.736,1168 4.071,1169 7.717,1170 4.021,1171 4.019,1172 4.02,1173 4.08,1174 3.886,1175 7.434,1176 3.864,1177 3.75,1178 3.808,1179 3.699,1180 3.58,1181 7.424,1182 3.582,1183 3.707,1184 3.768,1185 3.646,1186 3.477,1187 6.999,1188 3.509,1189 3.54,1190 3.581,1191 3.496,1192 3.402,1193 5.154,1194 3.364,1195 3.457,1196 3.483,1197 3.41,1198 3.202,1199 4.845,1200 3.226,1201 3.244,1202 3.313,1203 3.155,1204 3.026,1205 4.37,1206 3.038,1207 3.047,1208 3.094,1209 2.914,1210 2.784,1211 4.328,1212 2.809,1213 0.139,1214 0.134,1215 0.21,1216 0.126,1217 0.099,1218 4.877,1219 0.135,1220 4.691,1221 0.057,1222 7.356,1223 0.365,1224 4.395,1225 0.092,1226 3.464,1227 4.714,1228 1.988,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.836,1246 1.914,1247 0.943,1248 1.888,1249 1.628,1250 1.566,1251 1.785,1252 1.843,1253 0.932,1254 1.855,1255 1.426,1256 1.36,1257 1.626,1258 1.749,1259 0.714,1260 1.71,1261 1.312,1262 1.322,1263 1.417,1264 1.513,1265 0.482,1266 1.526,1267 1.216,1268 1.131,1269 1.417,1270 1.487,1271 0.469,1272 1.496,1273 0.934,1274 0.869,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.263,1281 5.631,1282 2.398,1283 7.157,1284 4.727,1285 8.755,1286 6.823,1287 10.396,1289 8.446,1295 -0.16,1296 7.5,1300 1.36,1301 -0.635,1305 36.959,1306 106.426,1307 235.815,1308 285.527,1309 292.282,1310 292.282,1311 292.282,1312 95.932,1313 7.812,1314 150.69,1315 159.07,1316 17,1317 12.696,1318 4.392,1319 3.7,1320 64.569,1321 165,1322 165,1323 0.193,1324 235.561,1325 402.69,1326 566.528,1327 27576,1329 24.389,1330 0.739,1331 0.599,1332 24.639,1333 19.765,1334 15.337,1335 0.438,1336 0.327,1337 9.864,1338 13.749,1339 9.308,1340 7.877,1341 16.158,1342 11.431,1343 15.92,1344 0.306,1345 0.196,1346 17.207,1347 10.199,1348 10.914,1349 0.182,1350 0.1,1351 12.09,1352 5.978,1353 8.979,1354 0.117,1355 0.054,1356 10.217,1357 4.158,1358 6.583,1359 0.072,1360 0.027,1361 7.296,1362 2.468,1363 0.31,1364 106.24,1365 0.215,1366 31.119,1367 0.508,1368 174,1369 599.027,1370 235.491,1371 594.795,1372 791.15,1373 544,1374 199,1375 551.88,1376 270.43,1377 594.782,1378 855.86,1379 549,1380 4.9}
{0 CHEMBL2057364,1 1.787,2 14.765,3 1.346,4 1.811,5 127.545,6 8.197,7 0.568,8 4.199,9 4.324,10 3.963,11 3.686,12 5.325,13 3.674,14 4.731,15 4.908,16 4.283,17 4.064,18 6.05,19 4.043,20 4.95,21 5.151,22 4.265,23 4.199,24 6.089,25 4.122,26 5.08,27 5.324,28 4.252,29 4.176,30 6.296,31 4.091,32 4.922,33 5.12,34 4.135,35 4.045,36 6.208,37 4.011,38 4.793,39 4.991,40 4.111,41 4.022,42 6.031,43 3.972,44 4.864,45 5.103,46 4.06,47 3.943,48 6.066,49 3.903,50 4.63,51 4.824,52 3.931,53 3.869,54 5.853,55 3.81,56 0.196,57 1.001,58 13.717,59 4.873,60 19.742,61 6.104,62 0.648,63 1.512,64 23.718,65 7.935,66 71.324,67 10.532,68 0.638,69 1.721,70 33.014,71 10.14,72 64.64,73 13.047,74 0.977,75 1.691,76 48.344,77 13.074,78 117.124,79 16.852,80 0.979,81 1.483,82 32.268,83 9.027,84 124.238,85 11.337,86 0.499,87 1.463,88 27.028,89 8.48,90 50.731,91 11.509,92 0.846,93 1.406,94 31.959,95 7.921,96 82.764,97 11.218,98 0.554,99 1.235,100 21.443,101 7.21,102 58.972,103 9.71,104 40,105 54,106 0.287,107 0.642,108 0.785,109 0.836,110 0.836,111 0.836,112 3.56,113 0.969,114 -2.76,115 -2.78,116 -2.69,119 35.6,120 3,125 2,130 1,142 4,143 2,144 1,145 3,150 1,151 2,159 1,161 1,166 2,172 4,174 3,175 6,178 6,179 1,180 3,183 6,187 9,190 2,192 1,195 2,198 4,199 13,202 4,204 2,207 1,211 3,212 5,215 2,217 4,220 3,223 2,224 7,227 1,229 3,232 3,236 5,237 5,240 1,242 5,245 3,249 5,250 1,253 2,255 1,258 3,262 3,263 7,266 1,268 1,271 3,275 2188,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.281,282 20.46,283 12.88,284 22.7,285 18.342,286 18.342,287 18.342,288 18.342,289 18.342,290 13.947,291 23.912,292 6.205,293 19.334,294 4.095,295 1.88,296 0.984,297 0.666,298 0.666,299 0.666,300 4.248,305 1,306 1068,307 4.848,310 197.704,311 220.976,314 153.201,318 2.602,319 43.216,322 0.75,323 0.67,324 0.83,325 0.7,327 0.67,328 0.5,329 0.59,330 75.5,331 502,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.835,349 2.939,350 4.127,351 3.18,352 6.322,353 3.909,354 2.955,355 3.695,357 9.671,358 2.79,359 3.995,360 3.048,361 6.045,362 3.68,363 2.711,364 3.479,366 8.782,367 2.608,368 3.922,369 2.72,370 5.366,371 3.495,372 2.55,373 3.072,375 7.017,376 2.406,377 3.719,378 2.647,379 5.328,380 3.35,381 2.388,382 2.988,384 6.866,385 2.284,386 3.404,387 2.14,388 4.877,389 2.898,390 1.938,391 2.736,393 5.412,394 1.859,395 3.18,396 1.814,397 4.72,398 2.706,399 1.754,400 2.415,402 5.067,403 1.661,404 3.012,405 1.632,406 4.452,407 2.479,408 1.52,409 2.254,411 4.343,412 1.454,413 2.736,414 1.523,415 4.227,416 2.352,417 1.382,418 1.827,420 3.548,421 1.336,422 2.704,423 1.334,424 3.579,425 2.213,426 1.235,427 1.762,428 2.943,429 1.204,430 2.579,431 1.178,432 3.498,433 2.024,434 1.084,435 1.614,436 2.498,437 1.015,438 2.118,439 1.104,440 3.278,441 1.84,442 0.874,443 1.038,445 1.913,446 0.839,447 2.118,448 0.618,449 3.165,450 1.566,451 0.618,452 0.927,454 1.372,455 0.585,456 1.903,457 0.491,458 3.15,459 1.374,460 0.411,461 0.611,463 1.081,464 0.394,465 15.933,466 0.469,467 1.17,468 0.034,469 46,470 1.353,471 23,472 0.676,473 23,474 0.676,475 28.538,476 0.839,477 37.467,478 0.635,479 38.212,480 1.124,481 8.822,482 0.259,483 7.266,484 0.214,485 0.157,486 0.084,487 0.238,493 0.635,494 1.529,495 0.792,496 1.307,497 0.657,498 0.997,499 0.606,500 1.111,501 0.78,502 0.931,503 0.49,504 0.867,505 1.151,506 1.133,507 1.207,508 1.159,509 1.019,510 1.136,511 0.967,512 0.894,513 1.199,514 1.116,515 1.041,516 0.851,517 1.749,518 0.909,519 1.089,520 0.809,521 2.124,522 0.924,523 0.95,524 1.3,525 1.016,526 1.222,527 0.851,528 1.145,529 1.259,530 0.827,531 0.941,532 0.765,533 1.268,534 0.82,535 0.934,536 1.04,537 0.954,538 1.062,539 1.013,540 1.163,541 10,542 0.22,543 3.556,544 2.951,545 1.458,546 1.452,547 0.743,548 0.688,549 0.382,550 0.358,551 18491,552 55588,553 2.028,554 42.4,556 8,557 2,558 3,559 3,561 9,564 1.755,565 1.872,566 3.81,567 0.957,569 1,573 105.457,574 1.787,575 4.003,576 4.899,577 5.217,578 5.217,579 5.217,580 3.282,581 4.433,582 5.053,583 4.05,584 2271.87,585 8.839,586 36567.6,591 347.076,592 1.659,593 4.993,594 0.27,595 0.007,596 0.066,597 0.061,598 0.029,599 0.032,600 0.017,601 0.017,602 0.011,603 0.01,604 0.521,605 0.33,606 0.75,607 1.04,608 186.013,609 0.065,610 -0.227,611 0.187,612 -0.129,613 -0.132,614 -0.018,615 0.286,616 0.044,617 0.131,618 0.071,619 0.278,620 0.076,621 -0.216,622 -0.041,623 -0.168,624 -0.093,625 -0.144,626 -0.165,627 0.098,628 0.041,629 0.061,630 0.037,631 0.119,632 0.184,633 -0.307,634 0.049,635 -0.15,636 0.107,637 -0.363,638 -0.009,639 -0.051,640 -0.233,641 -0.088,642 -0.219,643 0.011,644 -0.172,645 -0.107,646 0.135,647 0.019,648 0.121,649 -0.108,650 0.108,651 0.027,652 0.02,653 -0.114,654 -0.123,655 -0.052,656 -0.209,657 4.646,658 5.662,659 0.588,660 46.042,661 1.018,662 1.142,663 1.533,664 2.35,665 0.664,666 3.638,667 4.007,668 4.174,669 4.454,670 4.564,671 4.682,672 4.868,673 4.99,674 5.088,675 5.204,676 8.718,677 0.64,678 483.62,679 3.638,680 5.209,681 6.038,682 6.936,683 7.782,684 8.682,685 9.538,686 10.439,687 11.302,688 12.204,689 15.3,691 1,696 2,697 2,699 4,703 1,704 9,705 4,709 4,710 1,711 21,731 59,733 24,735 37,737 62,738 21,739 14,746 4,747 5,751 1,752 3,761 15,762 6,763 1,766 3,769 1,771 3,775 1,781 25,782 10,783 3,784 13,785 1,790 9,794 0.75,795 3,803 1,805 2,811 2,812 2,815 1,840 3,842 1,844 3,848 34,852 1,854 2,855 3,860 1,867 1,870 5.1,873 3,877 18.167,878 11.367,879 7.139,880 3.248,881 3.87,882 1.479,883 0.975,884 6.775,885 11.941,886 3.942,887 4.595,888 5.1,889 5.712,890 6.15,891 6.547,892 7.064,893 7.49,894 7.836,895 8.27,896 0.9,897 48,898 12.8,900 5.719,901 7.961,902 23.46,904 19.11,905 2.461,906 83.667,910 258.964,911 135.449,912 122.264,914 69.458,916 5.807,917 129.641,918 328.422,919 122.264,920 26.476,921 40.233,922 78.212,923 173.384,924 38.005,925 29.717,926 200.109,928 258.964,929 251.905,930 69.458,931 5.807,933 153.024,934 175.398,937 116.811,938 68.198,939 72.705,941 258.964,942 191.722,943 135.449,945 5.807,946 258.964,947 20.024,948 112.558,949 52.426,950 136.355,951 258.964,952 191.722,953 135.449,955 0.595,956 0.313,957 0.169,958 0.081,959 26,960 12,961 0.129,962 8,963 1,964 1.1,965 4.525,966 307.703,967 0.1,968 20,969 164.219,973 1,974 23.984,975 9.605,976 6.258,977 0.515,978 188.781,979 14.896,980 16.727,984 1.485,985 1.708,986 52.426,987 586.135,988 50.5,991 -3.73,993 37.448,997 -0.434,999 60.043,1000 67.355,1001 0.304,1002 0.68,1003 0.833,1004 0.887,1005 0.887,1006 0.887,1007 5.2,1008 1.754,1009 6.089,1010 5.412,1011 4.691,1012 5.283,1013 1.758,1014 6.942,1015 4.588,1016 6.461,1017 1.52,1018 7.681,1019 5.067,1020 4.575,1021 5.38,1022 1.195,1023 8.184,1024 4.416,1025 7.819,1026 1.382,1027 9.385,1028 4.343,1029 6.405,1030 7.604,1031 2.415,1032 11.158,1033 6.186,1034 9.214,1035 1.235,1036 11.158,1037 3.548,1038 7.048,1039 8.496,1040 2.324,1041 13.185,1042 6.764,1043 10.642,1044 1.084,1045 12.976,1046 2.943,1047 8.44,1048 10.265,1049 3.244,1050 15.802,1051 8.095,1052 12.093,1053 0.874,1054 14.825,1055 2.498,1056 9.397,1057 11.509,1058 3.407,1059 18.128,1060 8.981,1061 13.564,1062 0.618,1063 16.698,1064 1.913,1065 10.645,1066 13.118,1067 4.156,1068 20.661,1069 10.166,1070 3.464,1071 0.411,1072 18.59,1073 1.372,1074 11.738,1075 14.52,1076 4.464,1077 23.107,1078 11.184,1079 3.062,1080 12.767,1081 20.497,1082 1.081,1083 12.944,1084 16.072,1085 5.111,1086 25.629,1087 12.322,1088 2.955,1089 9.835,1090 22.417,1091 4.714,1092 14.099,1093 17.544,1094 5.504,1095 28.127,1096 13.4,1097 2.711,1098 9.671,1099 24.347,1100 4.449,1101 15.298,1102 19.079,1103 6.091,1104 30.653,1105 14.528,1106 2.55,1107 8.782,1108 26.287,1109 3.695,1110 16.483,1111 20.583,1112 6.531,1113 33.175,1114 15.636,1115 2.388,1116 7.017,1117 28.234,1118 3.479,1119 17.687,1120 22.114,1121 7.083,1122 35.708,1123 16.765,1124 1.938,1125 6.866,1126 30.188,1127 3.072,1128 18.89,1129 23.633,1130 7.551,1131 38.241,1132 17.889,1133 17725,1134 30974,1135 24.038,1136 39.154,1137 56.864,1138 57.45,1139 56.05,1140 55.893,1141 55.893,1142 75.161,1143 3.806,1144 166.228,1145 53.181,1146 5.797,1147 6.691,1148 7.014,1149 5.476,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.173,1155 19.517,1156 1.537,1157 1.553,1158 1.515,1159 1.511,1160 1.511,1161 2.031,1162 0.103,1163 4.493,1164 1.437,1165 4.142,1166 4.181,1167 4.736,1168 4.071,1169 7.717,1170 4.021,1171 4.019,1172 4.021,1173 4.08,1174 3.886,1175 7.431,1176 3.864,1177 3.922,1178 3.994,1179 3.859,1180 3.71,1181 6.999,1182 3.736,1183 3.723,1184 3.782,1185 3.692,1186 3.577,1187 5.155,1188 3.577,1189 3.591,1190 3.649,1191 3.51,1192 3.409,1193 4.958,1194 3.391,1195 3.497,1196 3.504,1197 3.487,1198 3.313,1199 4.845,1200 3.312,1201 3.294,1202 3.354,1203 3.205,1204 3.107,1205 4.369,1206 3.114,1207 3.091,1208 3.145,1209 2.992,1210 2.841,1211 4.328,1212 2.877,1213 0.132,1214 0.127,1215 0.199,1216 0.119,1217 0.094,1218 4.877,1219 0.127,1220 4.691,1221 0.045,1222 7.356,1223 0.345,1224 4.395,1225 0.087,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.852,1246 1.923,1247 1.102,1248 1.901,1249 1.649,1250 1.575,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.446,1256 1.394,1257 1.625,1258 1.727,1259 0.649,1260 1.67,1261 1.373,1262 1.337,1263 1.476,1264 1.57,1265 0.483,1266 1.582,1267 1.308,1268 1.294,1269 1.417,1270 1.488,1271 0.469,1272 1.525,1273 1.111,1274 1.03,1275 1.417,1276 1.446,1277 0.469,1278 1.401,1279 4.317,1281 5.673,1282 3.045,1283 7.188,1284 5.283,1285 8.778,1286 7.273,1287 10.414,1289 5.309,1295 0.928,1296 7.933,1301 -0.622,1305 37.738,1306 105.457,1307 236.176,1308 289.037,1309 307.792,1310 307.792,1311 307.792,1312 76.144,1313 8.071,1314 148.2,1315 156.58,1316 22,1317 12.732,1318 4.644,1319 3.858,1320 57.256,1321 179,1322 180,1323 0.156,1324 237.63,1325 396.3,1326 571.578,1327 40728,1329 24.347,1330 0.716,1331 0.581,1332 24.597,1333 19.743,1334 16.088,1335 0.435,1336 0.323,1337 10.398,1338 14.503,1339 9.952,1340 8.341,1341 16.909,1342 11.955,1343 16.203,1344 0.3,1345 0.19,1346 17.489,1347 10.253,1348 11.445,1349 0.179,1350 0.098,1351 12.622,1352 6.264,1353 10.153,1354 0.119,1355 0.054,1356 11.39,1357 4.561,1358 6.937,1359 0.073,1360 0.028,1361 7.65,1362 2.635,1363 0.253,1364 110.492,1365 0.204,1366 32.161,1367 0.405,1368 182,1369 592.936,1370 243.33,1371 593.098,1372 803.93,1373 546,1374 209,1375 577.593,1376 280.491,1377 616.743,1378 889.92,1379 574,1380 6.2}
{0 CHEMBL2057365,1 1.815,2 15.486,3 1.81,4 3.277,5 135.255,6 8.438,7 0.553,8 4.222,9 4.338,10 4.034,11 3.774,12 5.329,13 3.731,14 4.758,15 4.929,16 4.375,17 4.151,18 6.059,19 4.098,20 4.964,21 5.151,22 4.32,23 4.262,24 6.108,25 4.17,26 5.109,27 5.347,28 4.296,29 4.241,30 6.313,31 4.137,32 4.942,33 5.133,34 4.183,35 4.101,36 6.212,37 4.053,38 4.836,39 5.033,40 4.16,41 4.087,42 6.051,43 4.016,44 4.914,45 5.159,46 4.143,47 4.001,48 6.081,49 3.947,50 4.66,51 4.853,52 4.003,53 3.937,54 5.868,55 3.861,56 0.166,57 1.03,58 13.989,59 5.623,60 19.692,61 6.54,62 0.619,63 1.594,64 26.304,65 9.471,66 71.882,67 11.695,68 0.567,69 1.831,70 35.16,71 11.48,72 64.294,73 13.566,74 0.933,75 1.85,76 51.674,77 14.925,78 114.928,79 17.924,80 0.892,81 1.591,82 34.612,83 10.136,84 120.67,85 11.769,86 0.458,87 1.568,88 28.941,89 9.89,90 52.789,91 12.614,92 0.851,93 1.547,94 35.625,95 8.941,96 84.613,97 11.925,98 0.478,99 1.316,100 22.785,101 8.252,102 52.049,103 10.596,104 53,105 56,106 0.289,107 0.661,108 0.812,109 0.83,110 0.83,111 0.83,112 3.588,113 1.039,114 -2.89,115 -2.89,116 -2.8,119 36.1,120 4,121 1,125 1,130 1,142 3,143 2,144 1,145 2,146 1,150 1,151 2,159 1,161 2,166 1,172 4,174 3,175 7,178 6,179 1,180 4,183 7,187 9,190 1,192 1,195 3,198 4,199 14,202 4,204 3,207 2,211 2,212 5,215 1,217 4,220 3,223 2,224 9,227 1,229 4,232 3,236 3,237 6,240 1,242 5,245 3,249 4,250 2,253 2,255 2,258 4,262 3,263 6,266 1,268 1,271 5,275 2410,276 22.538,277 22.538,278 22.538,279 22.538,280 22.538,281 19.704,282 21.992,283 13.013,284 23.331,285 18.825,286 18.825,287 18.825,288 18.825,289 18.825,290 14.358,291 25.578,292 6.276,293 20.106,294 4.116,295 1.781,296 0.833,297 0.722,298 0.722,299 0.722,300 4.274,306 1151,307 4.899,310 204.309,311 229.867,314 159.543,318 2.7,319 44.265,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 77,331 542,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.835,349 2.939,350 4.128,351 3.18,352 6.322,353 3.909,354 2.955,355 3.707,357 9.671,358 2.79,359 4.086,360 3.049,361 6.045,362 3.68,363 2.713,364 3.695,366 8.782,367 2.608,368 3.995,369 2.877,370 5.55,371 3.605,372 2.694,373 3.072,375 7.57,376 2.457,377 3.722,378 2.719,379 5.34,380 3.361,381 2.401,382 2.988,384 6.883,385 2.289,386 3.405,387 2.207,388 4.877,389 2.91,390 1.965,391 2.737,393 5.422,394 1.862,395 3.195,396 2.138,397 4.734,398 2.8,399 1.863,400 2.423,402 5.133,403 1.713,404 3.139,405 1.814,406 4.631,407 2.684,408 1.735,409 2.322,411 4.949,412 1.632,413 3.012,414 1.523,415 4.452,416 2.476,417 1.518,418 2.251,420 4.343,421 1.45,422 2.734,423 1.468,424 4.227,425 2.218,426 1.24,427 1.825,428 3.546,429 1.208,430 2.579,431 1.334,432 3.498,433 2.027,434 1.088,435 1.615,436 2.499,437 1.018,438 2.273,439 1.104,440 3.357,441 1.991,442 1.034,443 1.204,445 2.29,446 0.98,447 2.118,448 0.796,449 3.278,450 1.506,451 0.706,452 0.992,454 1.679,455 0.553,456 1.903,457 0.501,458 3.255,459 1.374,460 0.411,461 0.611,463 1.081,464 0.394,465 16.867,466 0.482,467 1.276,468 0.036,469 46.25,470 1.321,471 23,472 0.657,473 23.25,474 0.664,475 32.262,476 0.922,477 38.333,478 0.628,479 37.53,480 1.072,481 8.516,482 0.243,483 7.966,484 0.228,485 0.178,486 0.079,487 0.261,493 0.64,494 1.429,495 0.78,496 1.161,497 0.665,498 0.958,499 0.516,500 1.057,501 0.773,502 0.916,503 0.469,504 0.837,505 1.193,506 1.185,507 1.213,508 1.165,509 1.043,510 1.152,511 0.982,512 0.901,513 1.132,514 1.066,515 1.04,516 0.881,517 1.847,518 0.971,519 1.067,520 0.848,521 2.144,522 0.942,523 0.91,524 1.289,525 0.927,526 1.135,527 0.824,528 1.138,529 1.303,530 0.83,531 0.819,532 0.693,533 1.264,534 0.759,535 0.834,536 1.076,537 0.85,538 1.013,539 0.858,540 1.117,541 11,542 0.22,543 3.778,544 3.299,545 1.538,546 1.507,547 0.758,548 0.75,549 0.389,550 0.398,551 20094,552 61263,553 2.011,554 42.6,556 5,557 2,558 2,559 3,560 5,561 9,564 1.762,565 1.842,566 3.87,567 0.933,573 110.701,574 1.815,575 4.149,576 5.098,577 5.209,578 5.209,579 5.209,580 3.389,581 4.879,582 5.095,583 4.102,584 2440.96,585 8.921,586 40410,591 361.775,592 1.71,593 5.027,594 0.289,595 0.007,596 0.067,597 0.066,598 0.03,599 0.033,600 0.017,601 0.018,602 0.01,603 0.011,604 0.549,605 0.33,606 0.75,607 1.051,608 193.661,609 0.043,610 -0.184,611 0.161,612 -0.06,613 -0.139,614 0.007,615 0.361,616 0.067,617 0.158,618 0.085,619 0.301,620 0.115,621 -0.238,622 -0.093,623 -0.215,624 -0.143,625 -0.153,626 -0.199,627 0.101,628 0.039,629 0.008,630 0.004,631 0.118,632 0.134,633 -0.361,634 -0.007,635 -0.176,636 0.037,637 -0.365,638 -0.042,639 -0.014,640 -0.261,641 -0.074,642 -0.214,643 0.03,644 -0.18,645 -0.119,646 0.129,647 0.072,648 0.137,649 -0.117,650 0.152,651 0.082,652 -0.049,653 -0.054,654 -0.126,655 0.028,656 -0.169,657 4.646,658 5.679,659 0.571,660 48.408,661 1.015,662 1.134,663 1.657,664 2.745,665 0.681,666 3.664,667 4.043,668 4.205,669 4.489,670 4.605,671 4.7,672 4.883,673 5.011,674 5.106,675 5.22,676 9.013,677 0.646,678 514.7,679 3.664,680 5.242,681 6.071,682 6.973,683 7.819,684 8.721,685 9.577,686 10.478,687 11.341,688 12.243,689 13.1,691 1,696 2,697 1,699 4,703 1,704 7,705 4,708 1,709 6,711 21,731 61,733 24,735 38,737 64,738 22,739 14,746 4,747 5,751 1,752 4,758 1,761 15,762 7,763 1,766 3,769 1,771 3,775 1,781 26,782 10,783 3,784 13,785 2,790 8,794 0.75,795 3,805 2,811 2,812 2,815 1,840 3,842 2,844 4,848 35,852 1,854 2,855 3,860 1,863 1,867 1,870 4.9,873 3,877 19,878 12.167,879 7.306,880 3.408,881 3.913,882 1.48,883 0.976,884 7.291,885 12.073,886 3.961,887 4.625,888 5.127,889 5.742,890 6.183,891 6.555,892 7.069,893 7.496,894 7.84,895 8.272,896 1,897 50,898 13.194,900 5.889,901 7.924,902 24.333,904 19.933,905 2.424,906 84.833,910 270.735,911 159.745,912 120.61,914 69.458,916 37.085,917 122.66,918 340.193,919 120.61,920 35.301,921 40.662,922 67.338,923 162.665,924 29.937,925 29.717,926 254.929,928 270.735,929 243.27,930 69.458,931 37.085,933 164.795,934 175.398,937 118.927,938 57.323,939 72.827,940 31.278,941 270.735,942 190.068,943 159.745,945 5.807,946 270.735,947 55.416,948 99.685,949 52.426,950 136.477,951 270.735,952 190.068,953 159.745,955 0.599,956 0.314,957 0.169,958 0.084,959 27,960 13,961 0.125,962 8,963 1,964 1.1,965 4.586,966 319.529,967 0.1,968 20,969 170.77,970 1,973 1,974 25.33,975 10.075,976 6.676,977 0.521,978 188.904,979 11.611,980 17.067,983 1.572,984 3.43,986 52.426,987 620.548,988 51.5,991 -3.73,993 37.56,997 -0.415,999 61.902,1000 69.191,1001 0.306,1002 0.7,1003 0.86,1004 0.878,1005 0.878,1006 0.878,1007 5.227,1008 1.863,1009 6.129,1010 5.422,1011 4.727,1012 5.313,1013 1.758,1014 6.984,1015 4.605,1016 6.495,1017 1.735,1018 7.724,1019 5.133,1020 4.635,1021 5.44,1022 1.195,1023 8.214,1024 4.467,1025 7.856,1026 1.518,1027 9.427,1028 4.949,1029 6.444,1030 7.639,1031 2.415,1032 11.186,1033 6.2,1034 9.253,1035 1.24,1036 11.196,1037 4.343,1038 7.091,1039 8.54,1040 2.324,1041 13.2,1042 6.79,1043 10.681,1044 1.088,1045 13.009,1046 3.546,1047 8.475,1048 10.301,1049 3.244,1050 15.816,1051 8.108,1052 12.131,1053 1.034,1054 14.853,1055 2.499,1056 9.43,1057 11.544,1058 3.407,1059 18.136,1060 8.996,1061 13.6,1062 0.706,1063 16.722,1064 2.29,1065 10.674,1066 13.149,1067 4.156,1068 20.668,1069 10.176,1070 3.464,1071 0.411,1072 18.609,1073 1.679,1074 11.764,1075 14.548,1076 4.464,1077 23.111,1078 11.194,1079 3.062,1080 12.767,1081 20.513,1082 1.081,1083 12.967,1084 16.097,1085 5.111,1086 25.632,1087 12.33,1088 2.955,1089 9.835,1090 22.43,1091 4.714,1092 14.119,1093 17.566,1094 5.504,1095 28.128,1096 13.408,1097 2.713,1098 9.671,1099 24.358,1100 4.449,1101 15.315,1102 19.098,1103 6.091,1104 30.654,1105 14.533,1106 2.694,1107 8.782,1108 26.295,1109 3.707,1110 16.498,1111 20.599,1112 6.531,1113 33.175,1114 15.641,1115 2.401,1116 7.57,1117 28.241,1118 3.695,1119 17.7,1120 22.128,1121 7.083,1122 35.708,1123 16.769,1124 1.965,1125 6.883,1126 30.193,1127 3.072,1128 18.9,1129 23.645,1130 7.551,1131 38.241,1132 17.893,1133 19323,1134 33987,1135 24.444,1136 41.557,1137 58.693,1138 59.381,1139 58.579,1140 57.563,1141 57.697,1142 77.207,1143 3.806,1144 172.9,1145 54.224,1146 5.797,1147 6.691,1148 6.91,1149 5.488,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.173,1155 21.767,1156 1.545,1157 1.563,1158 1.542,1159 1.515,1160 1.518,1161 2.032,1162 0.1,1163 4.55,1164 1.427,1165 4.142,1166 4.18,1167 4.736,1168 4.072,1169 7.717,1170 4.022,1171 4.019,1172 4.02,1173 4.216,1174 3.888,1175 7.431,1176 3.864,1177 3.879,1178 3.911,1179 4.078,1180 3.859,1181 6.999,1182 3.79,1183 3.723,1184 3.78,1185 3.693,1186 3.578,1187 5.154,1188 3.577,1189 3.591,1190 3.644,1191 3.535,1192 3.411,1193 4.847,1194 3.395,1195 3.498,1196 3.505,1197 3.492,1198 3.343,1199 4.819,1200 3.319,1201 3.31,1202 3.369,1203 3.246,1204 3.132,1205 4.369,1206 3.132,1207 3.134,1208 3.199,1209 3.06,1210 2.912,1211 4.328,1212 2.931,1213 0.128,1214 0.123,1215 0.194,1216 0.116,1217 0.091,1218 4.877,1219 0.124,1220 4.691,1221 0.044,1222 7.356,1223 0.336,1224 4.395,1225 0.085,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.62,1245 1.859,1246 1.886,1247 1.128,1248 1.874,1249 1.663,1250 1.608,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.463,1256 1.433,1257 1.664,1258 1.696,1259 0.795,1260 1.67,1261 1.407,1262 1.358,1263 1.486,1264 1.589,1265 0.504,1266 1.626,1267 1.31,1268 1.32,1269 1.417,1270 1.487,1271 0.479,1272 1.525,1273 1.148,1274 1.084,1275 1.417,1276 1.389,1277 0.469,1278 1.375,1279 4.344,1281 5.707,1282 3.045,1283 7.225,1284 5.352,1285 8.816,1286 7.38,1287 10.451,1289 7.255,1295 1.066,1296 8.005,1301 -0.621,1305 39.431,1306 110.701,1307 253.104,1308 310.981,1309 317.736,1310 317.736,1311 317.736,1312 81.542,1313 8.16,1314 143.27,1315 179.89,1316 22,1317 12.771,1318 4.644,1319 3.858,1320 59.907,1321 190,1322 203,1323 0.152,1324 251.559,1325 421.11,1326 605.565,1327 45974,1329 25.217,1330 0.72,1331 0.61,1332 25.821,1333 21.366,1334 16.482,1335 0.434,1336 0.346,1337 10.831,1338 14.509,1339 10.217,1340 8.569,1341 17.757,1342 13.164,1343 16.836,1344 0.301,1345 0.208,1346 18.76,1347 11.654,1348 11.774,1349 0.178,1350 0.11,1351 13.567,1352 7.234,1353 10.441,1354 0.119,1355 0.06,1356 12.246,1357 5.318,1358 7.315,1359 0.074,1360 0.032,1361 8.422,1362 3.175,1363 0.248,1364 116.738,1365 0.202,1366 32.971,1367 0.395,1368 188,1369 598.152,1370 270.421,1371 620.818,1372 840.45,1373 572,1374 216,1375 585.348,1376 302.002,1377 641.863,1378 927.54,1379 597,1380 6.1}
{0 CHEMBL2057366,1 1.782,2 15.486,3 0.793,4 0.629,5 129.348,6 8.26,7 0.579,8 4.211,9 4.332,10 3.978,11 3.716,12 5.353,13 3.704,14 4.737,15 4.911,16 4.294,17 4.089,18 6.066,19 4.065,20 4.964,21 5.157,22 4.31,23 4.236,24 6.125,25 4.164,26 5.098,27 5.342,28 4.268,29 4.2,30 6.314,31 4.115,32 4.937,33 5.134,34 4.15,35 4.07,36 6.223,37 4.038,38 4.817,39 5.013,40 4.133,41 4.049,42 6.054,43 3.997,44 4.887,45 5.127,46 4.079,47 3.971,48 6.099,49 3.928,50 4.649,51 4.841,52 3.974,53 3.896,54 5.891,55 3.843,56 0.178,57 1.015,58 13.518,59 4.983,60 20.15,61 6.12,62 0.635,63 1.533,64 23.438,65 8.231,66 73.63,67 10.695,68 0.606,69 1.789,70 32.496,71 10.496,72 66.836,73 13.205,74 0.985,75 1.756,76 48.993,77 13.481,78 120.307,79 17.182,80 0.952,81 1.532,82 32.321,83 9.237,84 127.998,85 11.277,86 0.492,87 1.514,88 27.266,89 8.835,90 51.429,91 11.792,92 0.881,93 1.46,94 32.657,95 8.199,96 90.586,97 11.468,98 0.524,99 1.273,100 21.497,101 7.35,102 57.121,103 9.8,104 40,105 55,106 0.284,107 0.638,108 0.784,109 0.833,110 0.838,111 0.838,112 3.588,113 0.965,114 -2.1,115 -2.15,116 -2.13,119 36.7,120 3,121 1,125 1,130 1,142 3,143 2,144 1,145 5,146 1,150 1,151 1,159 1,161 1,166 1,172 4,174 3,175 5,178 6,179 1,180 4,183 6,186 1,187 10,190 1,192 1,195 2,198 4,199 14,202 4,204 3,207 1,211 2,212 5,215 2,217 3,220 3,223 2,224 9,227 1,229 3,232 3,236 4,237 5,240 2,242 4,245 3,249 4,250 1,253 2,255 1,258 4,262 5,263 4,266 1,268 1,271 5,275 2412,276 22.797,277 22.797,278 22.797,279 22.797,280 22.797,281 19.859,282 19.567,283 13.38,284 23.433,285 18.842,286 18.842,287 18.842,288 18.842,289 18.842,290 14.281,291 22.636,292 6.455,293 19.866,294 4.125,295 1.908,296 0.994,297 0.688,298 0.655,299 0.655,300 4.277,305 1,306 1152,307 4.848,310 87.815,311 365.244,314 158.551,318 2.7,319 45.53,322 0.75,323 0.67,324 0.83,325 0.7,327 0.67,328 0.5,329 0.59,330 77.5,331 542,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.835,349 2.939,350 4.127,351 3.18,352 6.322,353 3.909,354 2.955,355 3.695,357 9.671,358 2.79,359 3.995,360 3.048,361 6.045,362 3.68,363 2.711,364 3.445,366 8.782,367 2.608,368 3.899,369 2.725,370 5.359,371 3.491,372 2.532,373 3.072,375 6.99,376 2.424,377 3.719,378 2.713,379 5.322,380 3.348,381 2.386,382 2.988,384 6.86,385 2.282,386 3.404,387 2.14,388 4.877,389 2.898,390 1.938,391 2.736,393 5.412,394 1.858,395 3.18,396 1.814,397 4.719,398 2.706,399 1.756,400 2.416,402 5.067,403 1.661,404 3.013,405 1.695,406 4.452,407 2.494,408 1.535,409 2.255,411 4.343,412 1.468,413 2.934,414 1.523,415 4.227,416 2.467,417 1.512,418 2.101,420 3.548,421 1.44,422 2.734,423 1.365,424 3.665,425 2.217,426 1.239,427 1.825,428 3.205,429 1.207,430 2.579,431 1.334,432 3.498,433 2.025,434 1.086,435 1.614,436 2.499,437 1.017,438 2.5,439 1.104,440 3.28,441 1.968,442 1,443 1.5,445 2.186,446 0.963,447 2.199,448 1,449 3.273,450 1.912,451 1,452 1.143,454 2.136,455 0.91,456 1.903,457 0.525,458 3.247,459 1.374,460 0.411,461 0.611,463 1.081,464 0.394,465 16.433,466 0.47,467 1.17,468 0.033,469 48.75,470 1.393,471 25,472 0.714,473 23.75,474 0.679,475 29.144,476 0.833,477 38.167,478 0.636,479 40.149,480 1.147,481 9.271,482 0.265,483 7.317,484 0.209,485 0.152,486 0.081,487 0.237,493 0.655,494 1.542,495 0.789,496 1.294,497 0.661,498 0.983,499 0.58,500 1.076,501 0.777,502 0.928,503 0.506,504 0.867,505 1.125,506 1.182,507 1.192,508 1.187,509 1.016,510 1.149,511 0.98,512 0.882,513 1.21,514 1.106,515 1.043,516 0.855,517 1.815,518 0.902,519 1.115,520 0.81,521 2.126,522 0.927,523 0.936,524 1.321,525 1.021,526 1.242,527 0.844,528 1.167,529 1.247,530 0.817,531 0.943,532 0.741,533 1.233,534 0.806,535 0.935,536 1.089,537 0.924,538 1.068,539 0.975,540 1.138,541 10,542 0.235,543 3.556,544 2.917,545 1.484,546 1.462,547 0.777,548 0.672,549 0.417,550 0.353,551 20171,552 61542,553 2.027,554 41.7,556 5,557 1,558 5,559 3,560 2,561 9,564 1.762,565 1.875,566 3.872,567 0.933,573 106.925,574 1.782,575 3.998,576 4.913,577 5.219,578 5.252,579 5.252,580 3.389,581 4.765,582 5.095,583 4.103,584 2441.1,585 8.921,586 40420.8,591 354.413,592 1.637,593 5.037,594 0.263,595 0.007,596 0.065,597 0.057,598 0.029,599 0.032,600 0.017,601 0.016,602 0.011,603 0.01,604 0.507,605 0.33,606 0.75,607 1.022,608 193.667,609 0.032,610 -0.265,611 0.18,612 -0.128,613 -0.131,614 -0.014,615 0.303,616 0.066,617 0.132,618 0.075,619 0.272,620 0.076,621 -0.197,622 -0.09,623 -0.162,624 -0.122,625 -0.143,626 -0.182,627 0.092,628 0.052,629 0.054,630 0.041,631 0.11,632 0.182,633 -0.363,634 0.058,635 -0.175,636 0.103,637 -0.381,638 -0.016,639 -0.041,640 -0.267,641 -0.092,642 -0.246,643 0.01,644 -0.196,645 -0.089,646 0.143,647 0.024,648 0.144,649 -0.086,650 0.124,651 0.026,652 -0.041,653 -0.081,654 -0.133,655 -0.02,656 -0.187,657 4.652,658 5.674,659 0.6,660 48.473,661 1.017,662 1.139,663 0.87,664 0.757,665 0.669,666 3.664,667 4.025,668 4.19,669 4.466,670 4.625,671 4.7,672 4.883,673 5.004,674 5.1,675 5.226,676 9.013,677 0.646,678 495.63,679 3.664,680 5.231,681 6.057,682 6.952,683 7.795,684 8.693,685 9.547,686 10.446,687 11.308,688 12.208,689 15,691 1,696 2,697 1,699 5,703 1,704 9,705 5,709 5,711 22,731 60,733 25,735 38,737 63,738 22,739 15,746 4,747 5,751 1,752 3,758 1,761 16,762 6,763 1,766 3,769 1,771 3,775 1,781 25,782 11,783 3,784 13,785 1,790 9,794 0.75,795 3,802 1,805 2,811 1,812 3,815 1,840 3,842 1,844 3,848 35,852 1,854 2,855 3,860 1,867 1,870 5,873 3,877 18.667,878 11.617,879 7.389,880 3.322,881 4.104,882 1.503,883 0.973,884 7.081,885 12.264,886 3.97,887 4.618,888 5.12,889 5.729,890 6.243,891 6.569,892 7.077,893 7.499,894 7.842,895 8.281,896 1,897 51,898 13.166,900 5.863,901 7.967,902 24.104,904 19.568,905 2.467,906 86.333,910 258.964,911 138.205,912 137.396,914 69.458,916 5.807,917 132.398,918 328.422,919 137.396,920 26.476,921 40.662,922 59.689,923 213.834,924 57.08,925 17.946,926 188.338,928 258.964,929 269.794,930 69.458,931 5.807,933 153.024,934 175.398,937 136.315,938 49.674,939 89.613,941 258.964,942 206.853,943 138.205,945 5.807,946 258.964,947 23.209,948 110.353,949 52.426,950 153.263,951 258.964,952 206.853,953 138.205,955 0.593,956 0.311,957 0.168,958 0.086,959 26,960 12,961 0.127,962 8,963 1,964 1.095,965 4.611,966 318.392,967 0.095,968 21,969 172.77,973 1,974 24.676,975 10.044,976 6.577,977 0.509,978 205.69,979 14.416,980 20.802,984 2.233,986 52.426,987 604.023,988 52,991 -3.735,993 37.528,997 -0.446,999 61.043,1000 68.355,1001 0.302,1002 0.677,1003 0.832,1004 0.884,1005 0.889,1006 0.889,1007 5.223,1008 1.756,1009 6.103,1010 5.412,1011 4.71,1012 5.306,1013 1.758,1014 6.95,1015 4.607,1016 6.48,1017 1.535,1018 7.69,1019 5.067,1020 4.575,1021 5.38,1022 1.195,1023 8.184,1024 4.423,1025 7.834,1026 1.512,1027 9.391,1028 4.343,1029 6.415,1030 7.619,1031 2.415,1032 11.16,1033 6.199,1034 9.225,1035 1.239,1036 11.162,1037 3.548,1038 7.04,1039 8.48,1040 2.324,1041 13.184,1042 6.762,1043 10.649,1044 1.086,1045 12.977,1046 3.205,1047 8.444,1048 10.275,1049 3.244,1050 15.802,1051 8.105,1052 12.097,1053 1,1054 14.826,1055 2.499,1056 9.39,1057 11.495,1058 3.407,1059 18.127,1060 8.98,1061 13.565,1062 1,1063 16.698,1064 2.186,1065 10.646,1066 13.123,1067 4.156,1068 20.661,1069 10.172,1070 3.464,1071 0.411,1072 18.59,1073 2.136,1074 11.734,1075 14.511,1076 4.464,1077 23.107,1078 11.185,1079 3.062,1080 12.767,1081 20.497,1082 1.081,1083 12.943,1084 16.074,1085 5.111,1086 25.629,1087 12.326,1088 2.955,1089 9.835,1090 22.416,1091 4.714,1092 14.096,1093 17.539,1094 5.504,1095 28.127,1096 13.401,1097 2.711,1098 9.671,1099 24.347,1100 4.449,1101 15.297,1102 19.08,1103 6.091,1104 30.653,1105 14.53,1106 2.532,1107 8.782,1108 26.286,1109 3.695,1110 16.481,1111 20.58,1112 6.531,1113 33.175,1114 15.637,1115 2.386,1116 6.99,1117 28.234,1118 3.445,1119 17.687,1120 22.114,1121 7.083,1122 35.708,1123 16.766,1124 1.938,1125 6.86,1126 30.188,1127 3.072,1128 18.889,1129 23.632,1130 7.551,1131 38.241,1132 17.89,1133 19357,1134 34050,1135 24.731,1136 40.154,1137 58.094,1138 58.885,1139 57.705,1140 57.143,1141 57.171,1142 77.124,1143 3.806,1144 168.763,1145 54.359,1146 5.793,1147 6.691,1148 7.158,1149 5.467,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.173,1155 19.944,1156 1.529,1157 1.55,1158 1.519,1159 1.504,1160 1.505,1161 2.03,1162 0.1,1163 4.441,1164 1.431,1165 4.141,1166 4.18,1167 4.736,1168 4.071,1169 7.717,1170 4.022,1171 4.019,1172 4.02,1173 4.08,1174 3.886,1175 7.431,1176 3.864,1177 3.864,1178 3.921,1179 3.802,1180 3.702,1181 6.999,1182 3.719,1183 3.723,1184 3.781,1185 3.691,1186 3.576,1187 5.155,1188 3.576,1189 3.592,1190 3.651,1191 3.512,1192 3.408,1193 4.991,1194 3.39,1195 3.499,1196 3.507,1197 3.487,1198 3.312,1199 4.845,1200 3.314,1201 3.308,1202 3.366,1203 3.218,1204 3.121,1205 4.369,1206 3.128,1207 3.113,1208 3.164,1209 3.03,1210 2.882,1211 4.329,1212 2.915,1213 0.128,1214 0.123,1215 0.194,1216 0.116,1217 0.091,1218 4.877,1219 0.124,1220 4.691,1221 0.044,1222 7.356,1223 0.336,1224 4.395,1225 0.085,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.985,1241 1.14,1242 1.996,1243 1.797,1244 1.744,1245 1.937,1246 1.98,1247 1.137,1248 1.973,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.503,1256 1.436,1257 1.678,1258 1.805,1259 0.663,1260 1.76,1261 1.329,1262 1.332,1263 1.448,1264 1.578,1265 0.483,1266 1.56,1267 1.295,1268 1.237,1269 1.417,1270 1.487,1271 0.469,1272 1.524,1273 0.995,1274 0.943,1275 1.417,1276 1.281,1277 0.469,1278 1.308,1279 4.344,1281 5.694,1282 2.398,1283 7.212,1284 4.727,1285 8.806,1286 6.823,1287 10.443,1289 5.305,1295 0.912,1296 7.935,1301 -0.625,1305 38.738,1306 106.925,1307 239.904,1308 294.765,1309 313.129,1310 315.129,1311 315.129,1312 80.553,1313 8.16,1314 156.16,1315 164.54,1316 23,1317 12.738,1318 4.7,1319 3.907,1320 59.896,1321 190,1322 201,1323 0.152,1324 244.295,1325 410.96,1326 587.841,1327 46414,1329 25.054,1330 0.716,1331 0.578,1332 25.304,1333 20.243,1334 16.588,1335 0.437,1336 0.322,1337 10.68,1338 15.033,1339 10.218,1340 8.567,1341 17.409,1342 12.229,1343 16.556,1344 0.301,1345 0.19,1346 17.843,1347 10.431,1348 11.695,1349 0.18,1350 0.098,1351 12.872,1352 6.362,1353 10.33,1354 0.12,1355 0.054,1356 11.567,1357 4.607,1358 7.549,1359 0.075,1360 0.027,1361 8.262,1362 2.759,1363 0.248,1364 113.38,1365 0.201,1366 32.992,1367 0.394,1368 186,1369 608.936,1370 246.637,1371 610.247,1372 824.86,1373 562,1374 213,1375 586.709,1376 283.408,1377 628.984,1378 906.68,1379 585,1380 5.9}
{0 CHEMBL2057367,1 1.798,2 16.351,3 1.465,4 2.146,5 136.276,6 8.213,7 0.512,8 4.29,9 4.407,10 4.048,11 3.782,12 5.4,13 3.775,14 4.826,15 4.996,16 4.36,17 4.146,18 6.118,19 4.122,20 5.032,21 5.229,22 4.364,23 4.253,24 6.164,25 4.194,26 5.154,27 5.388,28 4.341,29 4.236,30 6.379,31 4.173,32 4.967,33 5.154,34 4.195,35 4.11,36 6.251,37 4.084,38 4.862,39 5.046,40 4.184,41 4.107,42 6.099,43 4.051,44 4.983,45 5.232,46 4.131,47 4.039,48 6.131,49 3.987,50 4.757,51 4.968,52 4.03,53 3.96,54 5.933,55 3.9,56 0.216,57 1.076,58 14.597,59 5.536,60 23.031,61 6.759,62 0.734,63 1.606,64 25.857,65 9.263,66 80.06,67 12.088,68 0.729,69 1.821,70 36.062,71 10.975,72 74.305,73 14.026,74 1.235,75 1.824,76 51.171,77 13.083,78 130.166,79 16.624,80 1.019,81 1.586,82 32.583,83 9.186,84 126.711,85 11.293,86 0.628,87 1.575,88 27.945,89 9.363,90 61.511,91 12.582,92 0.956,93 1.561,94 36.491,95 9.135,96 93.179,97 13.281,98 0.675,99 1.354,100 25.349,101 8.159,102 64.624,103 11.334,104 40,105 61,106 0.283,107 0.653,108 0.802,109 0.824,110 0.824,111 0.824,112 3.642,113 0.971,114 -4.11,115 -4.06,116 -3.84,119 35.9,120 3,121 3,122 1,125 1,130 1,142 3,143 2,144 1,145 2,150 1,151 1,159 1,161 3,166 2,172 7,174 5,175 8,178 6,179 1,180 4,183 6,187 15,190 1,192 1,195 2,198 4,199 16,202 5,204 3,207 2,211 2,212 5,215 2,217 3,220 5,223 3,224 9,227 2,229 4,232 3,236 4,237 5,240 2,242 6,245 3,249 6,250 2,253 2,255 2,258 4,262 6,263 6,266 1,268 3,271 5,275 2856,276 24.193,277 24.193,278 24.193,279 24.193,280 24.193,281 21.436,282 24.418,283 13.887,284 24.769,285 20.313,286 20.313,287 20.313,288 20.313,289 20.313,290 15.894,291 27.048,292 6.682,293 21.244,294 4.202,295 1.857,296 0.907,297 0.77,298 0.77,299 0.77,300 4.333,306 1321,307 4.95,308 77.074,310 216.417,311 247.08,314 171.784,318 2.828,319 49.799,322 0.5,323 0.67,324 0.5,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 82.5,331 605,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.835,349 2.939,350 4.236,351 3.19,352 6.322,353 3.967,354 2.982,355 3.795,357 9.671,358 2.935,359 4.127,360 3.18,361 6.233,362 3.909,363 2.955,364 3.695,366 9.381,367 2.79,368 3.995,369 3.048,370 6.045,371 3.68,372 2.71,373 3.072,375 8.782,376 2.608,377 3.727,378 2.72,379 5.357,380 3.428,381 2.454,382 2.989,384 6.962,385 2.386,386 3.613,387 2.63,388 5.323,389 3.336,390 2.368,391 2.78,393 6.857,394 2.279,395 3.403,396 2.14,397 4.877,398 2.898,399 1.938,400 2.729,402 5.413,403 1.859,404 3.179,405 1.814,406 4.721,407 2.71,408 1.757,409 2.414,411 5.072,412 1.667,413 3.012,414 1.743,415 4.452,416 2.549,417 1.574,418 2.254,420 4.344,421 1.53,422 2.816,423 1.523,424 4.411,425 2.474,426 1.516,427 1.873,428 4.306,429 1.448,430 2.733,431 1.396,432 4.227,433 2.217,434 1.239,435 1.824,436 3.546,437 1.207,438 2.579,439 1.334,440 3.498,441 2.025,442 1.086,443 1.614,445 2.499,446 1.017,447 2.233,448 1.104,449 3.377,450 1.964,451 1,452 1.157,454 2.267,455 0.958,456 2.118,457 0.761,458 3.278,459 1.682,460 0.696,461 0.988,463 1.672,464 0.685,465 17.267,466 0.467,467 1.289,468 0.035,469 48.25,470 1.304,471 23,472 0.622,473 25.25,474 0.682,475 33.556,476 0.907,477 40.933,478 0.64,479 39.949,480 1.08,481 8.839,482 0.239,483 8.715,484 0.236,485 0.145,486 0.077,487 0.284,493 0.66,494 1.468,495 0.775,496 1.296,497 0.642,498 0.988,499 0.53,500 1.117,501 0.758,502 1.012,503 0.47,504 0.936,505 1.181,506 1.21,507 1.13,508 1.141,509 1.028,510 1.068,511 1.165,512 0.841,513 1.266,514 1.018,515 1.126,516 0.809,517 1.748,518 0.947,519 1.173,520 0.85,521 2.173,522 0.98,523 0.773,524 1.352,525 1.04,526 1.3,527 0.797,528 1.247,529 1.062,530 0.878,531 0.895,532 0.781,533 1.089,534 0.829,535 0.761,536 0.965,537 0.865,538 0.979,539 0.832,540 1.058,541 11,542 0.233,543 3.833,544 3.271,545 1.618,546 1.532,547 0.772,548 0.728,549 0.432,550 0.407,551 25444,552 72967,553 2.071,554 42.2,555 4,556 5,557 1,558 2,559 3,560 3,561 9,564 1.775,565 1.914,566 3.95,567 0.916,573 115.047,574 1.798,575 4.143,576 5.093,577 5.23,578 5.23,579 5.23,580 3.399,581 4.811,582 5.177,583 4.193,584 2792.75,585 9.077,586 48896.1,591 384,592 1.657,593 5.119,594 0.268,595 0.007,596 0.066,597 0.061,598 0.029,599 0.032,600 0.016,601 0.017,602 0.011,603 0.01,604 0.517,605 0.33,606 0.63,607 0.989,608 209.113,609 0.045,610 -0.171,611 0.179,612 -0.11,613 -0.102,614 -0.002,615 0.349,616 0.016,617 0.15,618 0.011,619 0.3,620 0.029,621 -0.205,622 -0.142,623 -0.084,624 -0.076,625 -0.139,626 -0.093,627 -0.016,628 0.119,629 -0.009,630 0.1,631 0.06,632 0.189,633 -0.389,634 0.059,635 -0.246,636 0.064,637 -0.396,638 -0.08,639 0.071,640 -0.263,641 -0.128,642 -0.28,643 0.06,644 -0.265,645 -0.044,646 0.071,647 0.07,648 0.109,649 -0.042,650 0.123,651 0.12,652 0.067,653 -0.002,654 -0.046,655 0.025,656 -0.088,657 4.658,658 5.699,659 0.622,660 53.684,661 1.02,662 1.14,663 2.88,664 8.293,665 0.662,666 3.738,667 4.127,668 4.29,669 4.575,670 4.7,671 4.82,672 4.97,673 5.063,674 5.165,675 5.283,676 9.6,677 0.64,678 525.66,679 3.738,680 5.323,681 6.168,682 7.074,683 7.933,684 8.839,685 9.706,686 10.611,687 11.483,688 12.387,689 14.1,691 1,696 2,697 1,699 5,703 1,704 6,705 5,707 1,709 6,711 21,731 64,733 24,735 41,737 68,738 23,739 13,746 5,747 6,751 1,752 3,755 2,756 1,758 3,761 14,762 9,763 2,766 3,769 1,771 3,775 1,781 27,782 12,783 3,784 14,785 1,790 9,794 0.8,795 4,805 2,809 1,811 2,812 2,815 1,840 4,842 1,844 3,848 37,852 1,854 4,855 3,858 1,860 1,867 1,870 6.3,873 3,875 1,877 19.333,878 12.367,879 7.667,880 3.768,881 4.023,882 1.476,883 0.981,884 6.815,885 12.476,886 4.016,887 4.673,888 5.173,889 5.789,890 6.238,891 6.623,892 7.105,893 7.508,894 7.853,895 8.284,896 0.909,897 54,898 13.955,900 6.343,901 7.928,902 25.791,904 21.656,905 2.428,906 89.833,910 282.506,911 123.415,912 137.151,914 78.965,916 5.807,917 117.608,918 361.472,919 137.151,920 26.476,921 45.731,922 59.689,923 188.315,924 36.688,925 17.946,926 247.193,928 282.506,929 254.759,930 78.965,931 5.807,933 176.567,934 184.905,937 121.525,938 49.674,939 89.368,941 282.506,942 216.116,943 123.415,945 5.807,946 282.506,947 35.561,948 83.211,949 52.426,950 162.525,951 282.506,952 216.116,953 123.415,955 0.601,956 0.31,957 0.168,958 0.082,959 31,960 14,961 0.132,962 9,963 1,964 1.087,965 4.884,966 349.182,967 0.087,968 23,969 183.995,973 1,974 25.43,975 9.916,976 6.564,977 0.503,978 214.952,979 9.589,980 20.714,982 5.579,984 2.597,986 52.426,987 622.038,988 54.5,991 -3.741,993 37.671,997 -0.466,999 65.254,1000 72.979,1001 0.3,1002 0.691,1003 0.849,1004 0.872,1005 0.872,1006 0.872,1007 5.295,1008 1.938,1009 6.221,1010 6.857,1011 4.812,1012 5.361,1013 1.758,1014 7.084,1015 4.725,1016 6.561,1017 1.757,1018 7.821,1019 5.413,1020 4.745,1021 5.491,1022 1.195,1023 8.324,1024 4.612,1025 7.922,1026 1.574,1027 9.53,1028 5.072,1029 6.544,1030 7.674,1031 2.415,1032 11.291,1033 6.359,1034 9.318,1035 1.516,1036 11.302,1037 4.344,1038 7.201,1039 8.574,1040 2.324,1041 13.293,1042 6.96,1043 10.745,1044 1.239,1045 13.116,1046 4.306,1047 8.581,1048 10.327,1049 3.244,1050 15.901,1051 8.288,1052 12.193,1053 1.086,1054 14.959,1055 3.546,1056 9.537,1057 11.568,1058 3.407,1059 18.204,1060 9.179,1061 13.66,1062 1,1063 16.824,1064 2.499,1065 10.778,1066 13.169,1067 4.156,1068 20.726,1069 10.364,1070 3.464,1071 0.696,1072 18.707,1073 2.267,1074 11.863,1075 14.566,1076 4.464,1077 23.156,1078 11.379,1079 3.062,1080 12.767,1081 20.605,1082 1.672,1083 13.062,1084 16.113,1085 5.111,1086 25.668,1087 12.516,1088 2.982,1089 9.835,1090 22.515,1091 4.714,1092 14.207,1093 17.58,1094 5.504,1095 28.156,1096 13.588,1097 2.955,1098 9.671,1099 24.436,1100 4.449,1101 15.399,1102 19.11,1103 6.091,1104 30.676,1105 14.711,1106 2.71,1107 9.381,1108 26.366,1109 3.795,1110 16.575,1111 20.61,1112 6.531,1113 33.191,1114 15.811,1115 2.454,1116 8.782,1117 28.305,1118 3.695,1119 17.771,1120 22.137,1121 7.083,1122 35.721,1123 16.934,1124 2.368,1125 6.962,1126 30.251,1127 3.072,1128 18.965,1129 23.653,1130 7.551,1131 38.251,1132 18.05,1133 23681,1134 40377,1135 26.929,1136 42.37,1137 63.589,1138 64.24,1139 63.347,1140 62.419,1141 62.428,1142 81.913,1143 3.806,1144 188.911,1145 59.841,1146 5.798,1147 6.691,1148 6.91,1149 5.47,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.196,1155 20.79,1156 1.551,1157 1.567,1158 1.545,1159 1.522,1160 1.523,1161 1.998,1162 0.093,1163 4.608,1164 1.46,1165 4.143,1166 4.181,1167 4.736,1168 4.072,1169 7.717,1170 4.022,1171 4.019,1172 4.03,1173 4.081,1174 3.887,1175 7.431,1176 3.864,1177 3.989,1178 4.016,1179 3.93,1180 3.83,1181 6.999,1182 3.839,1183 3.73,1184 3.788,1185 3.693,1186 3.579,1187 5.244,1188 3.58,1189 3.693,1190 3.754,1191 3.586,1192 3.503,1193 5.152,1194 3.518,1195 3.548,1196 3.586,1197 3.495,1198 3.403,1199 4.845,1200 3.368,1201 3.478,1202 3.491,1203 3.455,1204 3.214,1205 4.369,1206 3.252,1207 3.263,1208 3.327,1209 3.188,1210 3.034,1211 4.329,1212 3.062,1213 0.119,1214 0.114,1215 0.179,1216 0.107,1217 0.084,1218 4.877,1219 0.115,1220 4.691,1221 0.04,1222 7.356,1223 0.311,1224 4.395,1225 0.078,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.837,1246 1.887,1247 1.099,1248 1.867,1249 1.63,1250 1.575,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.397,1256 1.361,1257 1.528,1258 1.692,1259 0.86,1260 1.638,1261 1.351,1262 1.33,1263 1.513,1264 1.587,1265 0.825,1266 1.557,1267 1.307,1268 1.284,1269 1.468,1270 1.487,1271 0.483,1272 1.525,1273 1.153,1274 1.064,1275 1.417,1276 1.393,1277 0.469,1278 1.429,1279 4.419,1280 1.946,1281 5.79,1282 4.111,1283 7.321,1284 6.107,1285 8.924,1286 8.017,1287 10.571,1289 5.305,1295 2.89,1296 7.935,1299 0.387,1301 -0.628,1305 40.98,1306 115.047,1307 265.167,1308 325.961,1309 334.716,1310 334.716,1311 334.716,1312 81.927,1313 8.452,1314 169.3,1315 177.68,1316 25,1317 12.913,1318 4.644,1319 3.858,1320 57.217,1321 214,1322 215,1323 0.127,1324 253.418,1325 427.33,1326 610.1,1327 68737,1329 26.209,1330 0.708,1331 0.579,1332 26.459,1333 21.411,1334 17.555,1335 0.428,1336 0.324,1337 11.698,1338 15.901,1339 11.252,1340 9.363,1341 18.376,1342 13.27,1343 17.829,1344 0.292,1345 0.189,1346 19.116,1347 11.542,1348 12.552,1349 0.174,1350 0.095,1351 13.729,1352 6.823,1353 11.129,1354 0.116,1355 0.051,1356 12.366,1357 4.907,1358 7.826,1359 0.072,1360 0.027,1361 8.539,1362 2.894,1363 0.209,1364 119.948,1365 0.193,1366 34.683,1367 0.326,1368 204,1369 662.672,1370 269.398,1371 654.619,1372 891.97,1373 604,1374 238,1375 650.866,1376 313.532,1377 685.774,1378 996.71,1379 640,1380 5.5}
{0 CHEMBL2057368,1 1.792,2 16.351,3 1.465,4 2.145,5 136.838,6 8.214,7 0.512,8 4.293,9 4.422,10 4.052,11 3.771,12 5.404,13 3.763,14 4.826,15 5.01,16 4.358,17 4.135,18 6.114,19 4.112,20 5.03,21 5.239,22 4.362,23 4.25,24 6.16,25 4.188,26 5.152,27 5.398,28 4.344,29 4.222,30 6.376,31 4.161,32 4.972,33 5.167,34 4.199,35 4.098,36 6.257,37 4.075,38 4.861,39 5.052,40 4.181,41 4.102,42 6.091,43 4.047,44 4.983,45 5.237,46 4.134,47 4.035,48 6.132,49 3.981,50 4.757,51 4.974,52 4.03,53 3.952,54 5.928,55 3.893,56 0.246,57 1.109,58 14.705,59 5.307,60 22.875,61 6.723,62 0.72,63 1.642,64 25.978,65 8.741,66 78.459,67 11.815,68 0.717,69 1.834,70 35.939,71 10.323,72 72.515,73 13.909,74 1.157,75 1.8,76 50.852,77 12.196,78 127.211,79 16.295,80 1.093,81 1.567,82 33.019,83 8.618,84 126.061,85 11.014,86 0.563,87 1.564,88 27.909,89 9.101,90 58.664,91 12.485,92 0.972,93 1.519,94 36.5,95 8.922,96 92.521,97 13.279,98 0.646,99 1.348,100 25.321,101 8.009,102 63.357,103 11.278,104 40,105 61,106 0.282,107 0.653,108 0.797,109 0.824,110 0.824,111 0.824,112 3.642,113 0.968,114 -4,115 -3.95,116 -3.75,119 34.4,120 3,121 2,122 1,125 2,130 1,142 3,143 2,144 1,145 2,149 1,150 1,151 1,159 1,161 1,166 4,172 7,174 6,175 6,178 6,179 1,180 3,183 6,187 15,190 2,192 1,195 2,198 4,199 17,202 5,204 2,207 1,211 3,212 5,215 3,217 3,220 3,223 3,224 7,227 2,229 4,232 3,236 6,237 4,240 2,242 6,245 3,249 7,250 2,253 2,255 2,258 3,262 6,263 7,266 1,268 3,271 3,275 2856,276 24.193,277 24.193,278 24.193,279 24.193,280 24.193,281 21.436,282 25.31,283 13.887,284 24.796,285 20.313,286 20.313,287 20.313,288 20.313,289 20.313,290 15.894,291 28.771,292 6.682,293 21.299,294 4.208,295 1.857,296 0.938,297 0.77,298 0.77,299 0.77,300 4.333,306 1321,307 4.95,308 77.074,310 216.417,311 247.08,314 171.784,318 2.828,319 48.237,322 0.5,323 0.67,324 0.5,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 82.5,331 605,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.835,349 2.939,350 4.236,351 3.182,352 6.322,353 3.955,354 2.982,355 3.795,357 9.671,358 2.902,359 4.127,360 3.18,361 6.233,362 3.909,363 2.955,364 3.695,366 9.381,367 2.79,368 3.995,369 3.048,370 6.045,371 3.68,372 2.71,373 3.072,375 8.782,376 2.608,377 3.727,378 2.719,379 5.357,380 3.426,381 2.454,382 2.989,384 6.962,385 2.379,386 3.613,387 2.547,388 5.323,389 3.336,390 2.368,391 2.78,393 6.857,394 2.28,395 3.403,396 2.14,397 4.877,398 2.898,399 1.938,400 2.729,402 5.413,403 1.859,404 3.179,405 1.814,406 4.721,407 2.709,408 1.757,409 2.414,411 5.072,412 1.664,413 3.012,414 1.724,415 4.452,416 2.529,417 1.574,418 2.254,420 4.344,421 1.497,422 2.816,423 1.523,424 4.411,425 2.474,426 1.516,427 1.873,428 4.306,429 1.447,430 2.733,431 1.386,432 4.227,433 2.217,434 1.239,435 1.824,436 3.546,437 1.207,438 2.579,439 1.334,440 3.498,441 2.026,442 1.086,443 1.614,445 2.499,446 1.017,447 2.233,448 1.104,449 3.377,450 1.972,451 1,452 1.157,454 2.267,455 0.967,456 2.118,457 0.752,458 3.278,459 1.671,460 0.696,461 0.988,463 1.672,464 0.677,465 17.233,466 0.466,467 1.289,468 0.035,469 48,470 1.297,471 23,472 0.622,473 25,474 0.676,475 33.391,476 0.902,477 40.967,478 0.64,479 40.114,480 1.084,481 8.82,482 0.238,483 8.735,484 0.236,485 0.145,486 0.077,487 0.279,493 0.585,494 1.434,495 0.772,496 1.294,497 0.632,498 0.997,499 0.532,500 1.118,501 0.766,502 0.998,503 0.467,504 0.928,505 1.131,506 1.201,507 1.125,508 1.136,509 1.019,510 1.068,511 1.128,512 0.871,513 1.254,514 1.048,515 1.118,516 0.817,517 1.852,518 0.866,519 1.185,520 0.798,521 2.189,522 0.951,523 0.863,524 1.337,525 1.047,526 1.327,527 0.815,528 1.257,529 1.071,530 0.827,531 0.891,532 0.787,533 1.092,534 0.839,535 0.8,536 0.94,537 0.866,538 1.002,539 0.842,540 1.074,541 11,542 0.233,543 3.833,544 3.271,545 1.618,546 1.532,547 0.772,548 0.728,549 0.432,550 0.407,551 25444,552 72865,553 2.071,554 42.2,555 4,556 7,557 1,558 2,559 3,560 1,561 9,564 1.775,565 1.914,566 3.95,567 0.943,573 114.702,574 1.792,575 4.143,576 5.062,577 5.23,578 5.23,579 5.23,580 3.399,581 4.811,582 5.177,583 4.193,584 2792.75,585 9.077,586 48896.1,591 384,592 1.657,593 5.119,594 0.268,595 0.007,596 0.066,597 0.061,598 0.029,599 0.032,600 0.016,601 0.017,602 0.011,603 0.01,604 0.517,605 0.33,606 0.63,607 0.989,608 209.113,609 0.117,610 -0.105,611 0.185,612 -0.099,613 -0.096,614 -0.008,615 0.339,616 0.031,617 0.143,618 0.023,619 0.298,620 0.036,621 -0.193,622 -0.122,623 -0.082,624 -0.066,625 -0.136,626 -0.088,627 -0.005,628 0.087,630 0.069,631 0.065,632 0.18,633 -0.393,634 0.13,635 -0.251,636 0.11,637 -0.395,638 -0.058,639 0.007,640 -0.244,641 -0.134,642 -0.29,643 0.046,644 -0.265,645 -0.005,646 0.098,647 0.075,648 0.112,649 -0.037,650 0.119,651 0.107,652 0.089,653 -0.002,654 -0.058,655 0.019,656 -0.096,657 4.657,658 5.7,659 0.622,660 53.684,661 1.019,662 1.146,663 2.771,664 7.68,665 0.659,666 3.738,667 4.127,668 4.29,669 4.575,670 4.7,671 4.82,672 4.97,673 5.063,674 5.165,675 5.283,676 9.6,677 0.637,678 525.67,679 3.738,680 5.323,681 6.168,682 7.074,683 7.933,684 8.839,685 9.706,686 10.611,687 11.483,688 12.387,689 17.2,691 1,696 2,697 2,699 6,703 1,704 6,705 6,709 5,710 1,711 21,731 64,733 24,735 41,737 68,738 22,739 12,746 5,747 6,751 1,752 3,755 2,756 1,758 2,761 13,762 9,763 2,766 3,769 1,771 3,775 1,781 27,782 12,783 3,784 15,785 1,790 11,794 0.8,795 3,805 2,809 1,811 2,812 2,815 1,840 4,842 1,844 3,848 37,852 1,854 4,855 3,858 1,860 1,867 1,870 4.7,873 3,877 19.333,878 12.35,879 7.667,880 3.739,881 4.023,882 1.476,883 0.98,884 6.773,885 12.476,886 4.016,887 4.673,888 5.173,889 5.789,890 6.238,891 6.623,892 7.105,893 7.508,894 7.853,895 8.284,896 0.909,897 54,898 13.94,900 6.322,901 7.923,902 25.767,904 21.589,905 2.423,906 89.667,910 282.506,911 115.275,912 155.345,914 69.458,916 5.807,917 109.467,918 351.964,919 155.345,920 26.476,921 45.302,922 59.689,923 194.816,924 31.163,925 17.946,926 247.193,928 282.506,929 264.812,930 69.458,931 5.807,933 178.894,934 175.398,937 112.71,938 49.674,939 105.908,941 282.506,942 224.803,943 115.275,945 5.807,946 282.506,947 27.421,948 84.865,949 52.426,950 169.558,951 282.506,952 224.803,953 115.275,955 0.601,956 0.31,957 0.168,958 0.082,959 31,960 14,961 0.132,962 9,963 1,964 1.087,965 4.884,966 349.182,967 0.087,968 23,969 183.995,973 1,974 25.367,975 9.878,976 6.536,977 0.504,978 221.985,979 9.593,980 25.01,984 2.201,985 1.465,986 52.426,987 622.584,988 54.5,991 -3.74,993 37.673,997 -0.466,999 65.247,1000 73.351,1001 0.299,1002 0.691,1003 0.844,1004 0.872,1005 0.872,1006 0.872,1007 5.295,1008 1.938,1009 6.221,1010 6.857,1011 4.812,1012 5.361,1013 1.758,1014 7.084,1015 4.72,1016 6.561,1017 1.757,1018 7.821,1019 5.413,1020 4.745,1021 5.491,1022 1.195,1023 8.324,1024 4.607,1025 7.922,1026 1.574,1027 9.53,1028 5.072,1029 6.544,1030 7.674,1031 2.415,1032 11.291,1033 6.349,1034 9.318,1035 1.516,1036 11.302,1037 4.344,1038 7.201,1039 8.574,1040 2.324,1041 13.293,1042 6.95,1043 10.745,1044 1.239,1045 13.116,1046 4.306,1047 8.581,1048 10.327,1049 3.244,1050 15.901,1051 8.274,1052 12.193,1053 1.086,1054 14.959,1055 3.546,1056 9.537,1057 11.568,1058 3.407,1059 18.204,1060 9.164,1061 13.66,1062 1,1063 16.824,1064 2.499,1065 10.778,1066 13.169,1067 4.156,1068 20.726,1069 10.346,1070 3.464,1071 0.696,1072 18.707,1073 2.267,1074 11.863,1075 14.566,1076 4.464,1077 23.156,1078 11.361,1079 3.062,1080 12.767,1081 20.605,1082 1.672,1083 13.062,1084 16.113,1085 5.111,1086 25.668,1087 12.495,1088 2.982,1089 9.835,1090 22.515,1091 4.714,1092 14.207,1093 17.58,1094 5.504,1095 28.156,1096 13.567,1097 2.955,1098 9.671,1099 24.436,1100 4.449,1101 15.399,1102 19.11,1103 6.091,1104 30.676,1105 14.688,1106 2.71,1107 9.381,1108 26.366,1109 3.795,1110 16.575,1111 20.61,1112 6.531,1113 33.191,1114 15.788,1115 2.454,1116 8.782,1117 28.305,1118 3.695,1119 17.771,1120 22.137,1121 7.083,1122 35.721,1123 16.91,1124 2.368,1125 6.962,1126 30.251,1127 3.072,1128 18.965,1129 23.653,1130 7.551,1131 38.251,1132 18.026,1133 23681,1134 40355,1135 26.929,1136 42.165,1137 63.589,1138 64.214,1139 63.347,1140 62.419,1141 62.428,1142 81.913,1143 3.806,1144 188.911,1145 59.689,1146 5.798,1147 6.691,1148 6.91,1149 5.476,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.183,1155 20.79,1156 1.551,1157 1.566,1158 1.545,1159 1.522,1160 1.523,1161 1.998,1162 0.093,1163 4.608,1164 1.456,1165 4.143,1166 4.183,1167 4.736,1168 4.072,1169 7.717,1170 4.022,1171 4.019,1172 4.059,1173 4.081,1174 3.887,1175 7.431,1176 3.864,1177 3.988,1178 4.019,1179 3.93,1180 3.825,1181 6.999,1182 3.83,1183 3.732,1184 3.796,1185 3.693,1186 3.579,1187 5.185,1188 3.579,1189 3.701,1190 3.772,1191 3.596,1192 3.464,1193 5.15,1194 3.491,1195 3.549,1196 3.604,1197 3.495,1198 3.4,1199 4.845,1200 3.364,1201 3.478,1202 3.494,1203 3.458,1204 3.2,1205 4.369,1206 3.242,1207 3.261,1208 3.329,1209 3.187,1210 3.031,1211 4.329,1212 3.06,1213 0.119,1214 0.114,1215 0.179,1216 0.107,1217 0.084,1218 4.877,1219 0.115,1220 4.691,1221 0.04,1222 7.356,1223 0.311,1224 4.395,1225 0.078,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.828,1246 1.916,1247 1.082,1248 1.887,1249 1.619,1250 1.541,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.402,1256 1.349,1257 1.535,1258 1.717,1259 0.867,1260 1.653,1261 1.353,1262 1.328,1263 1.513,1264 1.574,1265 0.825,1266 1.554,1267 1.306,1268 1.276,1269 1.465,1270 1.487,1271 0.483,1272 1.525,1273 1.153,1274 1.064,1275 1.417,1276 1.425,1277 0.469,1278 1.429,1279 4.419,1280 1.946,1281 5.79,1282 4.111,1283 7.321,1284 6.107,1285 8.924,1286 8.017,1287 10.571,1289 5.306,1295 2.892,1296 7.935,1299 0.422,1301 -0.628,1305 40.781,1306 114.702,1307 265.167,1308 323.961,1309 334.716,1310 334.716,1311 334.716,1312 80.465,1313 8.452,1314 173.98,1315 182.36,1316 25,1317 12.913,1318 4.644,1319 3.858,1320 57.217,1321 214,1322 215,1323 0.127,1324 253.418,1325 423.24,1326 610.1,1327 68737,1329 26.209,1330 0.708,1331 0.578,1332 26.459,1333 21.397,1334 17.555,1335 0.428,1336 0.323,1337 11.643,1338 15.86,1339 11.203,1340 9.331,1341 18.376,1342 13.224,1343 17.829,1344 0.292,1345 0.189,1346 19.116,1347 11.502,1348 12.552,1349 0.174,1350 0.094,1351 13.729,1352 6.798,1353 11.129,1354 0.116,1355 0.051,1356 12.366,1357 4.885,1358 7.826,1359 0.072,1360 0.026,1361 8.539,1362 2.867,1363 0.209,1364 120.152,1365 0.193,1366 34.683,1367 0.326,1368 204,1369 656.227,1370 269.271,1371 653.216,1372 891.54,1373 602,1374 238,1375 655.588,1376 314.264,1377 690.759,1378 1000.57,1379 644,1380 6.1}
{0 CHEMBL2057369,1 1.772,2 17.158,3 1.527,4 2.332,5 141.703,6 8.055,7 0.5,8 4.331,9 4.462,10 4.072,11 3.811,12 5.427,13 3.798,14 4.871,15 5.057,16 4.375,17 4.176,18 6.134,19 4.146,20 5.082,21 5.298,22 4.379,23 4.291,24 6.185,25 4.222,26 5.2,27 5.453,28 4.36,29 4.264,30 6.394,31 4.197,32 5.024,33 5.226,34 4.218,35 4.146,36 6.28,37 4.116,38 4.923,39 5.12,40 4.184,41 4.146,42 6.097,43 4.084,44 5.025,45 5.279,46 4.153,47 4.094,48 6.165,49 4.027,50 4.832,51 5.052,52 4.064,53 4.006,54 6.001,55 3.942,56 0.24,57 1.148,58 15.792,59 5.624,60 22.977,61 7.273,62 0.718,63 1.704,64 27.809,65 9.304,66 79.363,67 12.762,68 0.691,69 1.91,70 38.755,71 10.971,72 74.839,73 15.228,74 1.159,75 1.877,76 53.238,77 12.628,78 128.412,79 17.303,80 1.067,81 1.643,82 35.469,83 9.116,84 127.588,85 12.037,86 0.585,87 1.639,88 30.594,89 9.513,90 59.642,91 13.263,92 0.968,93 1.588,94 38.08,95 9.626,96 97.574,97 14.461,98 0.671,99 1.426,100 27.839,101 8.467,102 67.951,103 12.258,104 40,105 62,106 0.277,107 0.638,108 0.79,109 0.828,110 0.828,111 0.828,112 3.667,113 0.98,114 -4.22,115 -4.16,116 -3.93,119 34.3,120 3,121 3,122 1,125 2,130 1,142 3,143 2,144 1,145 2,149 1,150 1,151 1,159 1,161 1,166 4,172 7,174 6,175 7,178 6,179 1,180 4,183 6,187 17,190 1,192 1,195 2,198 4,199 19,202 4,204 3,207 1,211 2,212 5,215 3,217 3,220 4,223 2,224 9,227 2,229 3,232 5,236 5,237 5,240 3,242 5,245 3,249 5,250 1,253 3,255 3,258 4,262 7,263 5,266 1,268 2,271 5,275 3138,276 24.9,277 24.9,278 24.9,279 24.9,280 24.9,281 22.143,282 27.355,283 14.387,284 25.501,285 20.813,286 20.813,287 20.813,288 20.813,289 20.813,290 16.394,291 32.003,292 6.929,293 21.799,294 4.295,295 1.985,296 1.008,297 0.765,298 0.765,299 0.765,300 4.359,306 1422,307 5.05,308 80.536,310 226.617,311 257.443,314 179.482,318 2.947,319 48.749,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.5,328 0.5,329 0.51,330 84.5,331 652,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.548,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.835,349 2.939,350 4.236,351 3.182,352 6.322,353 3.955,354 2.982,355 3.795,357 9.671,358 2.902,359 4.127,360 3.18,361 6.233,362 3.909,363 2.955,364 3.695,366 9.381,367 2.79,368 3.995,369 3.048,370 6.045,371 3.68,372 2.71,373 3.072,375 8.782,376 2.608,377 3.724,378 2.719,379 5.346,380 3.413,381 2.439,382 2.988,384 6.938,385 2.373,386 3.618,387 2.547,388 5.334,389 3.357,390 2.39,391 2.776,393 6.881,394 2.296,395 3.404,396 2.141,397 4.877,398 2.904,399 1.946,400 2.735,402 5.416,403 1.863,404 3.181,405 1.815,406 4.723,407 2.72,408 1.766,409 2.416,411 5.076,412 1.678,413 3.012,414 1.77,415 4.452,416 2.581,417 1.619,418 2.254,420 4.344,421 1.552,422 2.834,423 1.531,424 4.416,425 2.476,426 1.518,427 1.889,428 4.33,429 1.45,430 2.734,431 1.523,432 4.227,433 2.249,434 1.274,435 1.825,436 3.548,437 1.237,438 2.579,439 1.334,440 3.539,441 2.2,442 1.222,443 1.615,445 2.812,446 1.191,447 2.426,448 1.104,449 3.498,450 2.023,451 1.083,452 1.403,454 2.497,455 1.015,456 2.183,457 0.829,458 3.278,459 1.698,460 0.721,461 1.039,463 1.725,464 0.703,465 17.733,466 0.467,467 1.289,468 0.034,469 48.5,470 1.276,471 23,472 0.605,473 25.5,474 0.671,475 35.257,476 0.928,477 42.267,478 0.631,479 40.45,480 1.064,481 8.826,482 0.232,483 9.229,484 0.243,485 0.141,486 0.075,487 0.271,493 0.582,494 1.437,495 0.782,496 1.299,497 0.628,498 1.013,499 0.526,500 1.13,501 0.778,502 1.019,503 0.462,504 0.951,505 1.116,506 1.229,507 1.102,508 1.135,509 0.997,510 1.061,511 1.148,512 0.868,513 1.237,514 1.017,515 1.114,516 0.801,517 1.876,518 0.866,519 1.185,520 0.801,521 2.165,522 0.948,523 1.005,524 1.303,525 1.106,526 1.288,527 0.977,528 1.252,529 1.014,530 0.842,531 0.886,532 0.81,533 1.042,534 0.863,535 0.849,536 1.032,537 0.895,538 1.041,539 0.883,540 1.107,541 11,542 0.293,543 3.833,544 3.271,545 1.698,546 1.421,547 0.869,548 0.647,549 0.507,550 0.339,551 28005,552 78588,553 2.069,554 43.3,555 4,556 7,557 1,558 2,559 3,560 1,561 9,562 2,564 1.781,565 1.916,566 4.011,567 0.921,573 118.696,574 1.772,575 4.081,576 5.058,577 5.301,578 5.301,579 5.301,580 3.485,581 4.722,582 5.215,583 4.263,584 2996.9,585 9.149,586 54334.7,591 406.428,592 1.638,593 5.16,594 0.262,595 0.008,596 0.065,597 0.059,598 0.03,599 0.029,600 0.018,601 0.014,602 0.012,603 0.009,604 0.508,605 0.33,606 0.63,607 0.973,608 217.448,609 0.125,610 -0.101,611 0.184,612 -0.096,613 -0.089,614 -0.007,615 0.344,616 0.022,617 0.137,618 0.01,619 0.302,620 0.022,621 -0.183,622 -0.158,623 -0.058,624 -0.067,625 -0.118,626 -0.074,627 -0.02,628 0.089,629 0.007,630 0.086,631 0.063,632 0.188,633 -0.416,634 0.134,635 -0.244,636 0.106,637 -0.384,638 -0.05,639 -0.089,640 -0.211,641 -0.184,642 -0.262,643 -0.062,644 -0.267,645 0.035,646 0.092,647 0.072,648 0.103,649 0.008,650 0.102,651 0.091,652 -0.005,653 -0.027,654 -0.101,655 0.03,656 -0.133,657 4.656,658 5.709,659 0.605,660 58.144,661 1.017,662 1.146,663 2.986,664 8.917,665 0.656,666 3.761,667 4.143,668 4.304,669 4.585,670 4.71,671 4.82,672 4.977,673 5.056,674 5.153,675 5.273,676 10.053,677 0.631,678 539.7,679 3.761,680 5.342,681 6.184,682 7.088,683 7.945,684 8.848,685 9.714,686 10.617,687 11.488,688 12.39,689 16.4,691 1,696 2,697 2,699 6,703 1,704 6,705 6,709 5,710 1,711 21,731 67,733 24,735 42,737 71,738 23,739 12,746 5,747 6,751 1,752 3,755 2,756 1,758 3,761 13,762 10,763 2,766 3,769 1,771 3,775 1,781 29,782 12,783 3,784 15,785 1,790 11,794 0.8,795 3,805 2,809 1,811 2,812 2,815 1,840 4,842 1,844 3,848 38,852 1,854 5,855 3,858 1,860 1,867 1,870 4.5,873 3,877 19.833,878 12.85,879 7.917,880 3.989,881 4.004,882 1.472,883 0.977,884 7.251,885 12.49,886 4.034,887 4.682,888 5.179,889 5.792,890 6.24,891 6.619,892 7.103,893 7.502,894 7.842,895 8.278,896 1,897 55,898 14.319,900 6.463,901 7.899,902 26.583,904 22.256,905 2.399,906 91.167,910 306.049,911 117.809,912 155.345,914 69.458,916 5.807,917 112.002,918 375.507,919 155.345,920 26.476,921 47.837,922 59.689,923 194.816,924 31.163,925 17.946,926 270.735,928 306.049,929 267.347,930 69.458,931 5.807,933 178.894,934 198.94,937 115.244,938 49.674,939 105.908,941 306.049,942 224.803,943 117.809,945 5.807,946 306.049,947 29.955,948 84.865,949 52.426,950 169.558,951 306.049,952 224.803,953 117.809,955 0.599,956 0.309,957 0.167,958 0.083,959 31,960 14,961 0.141,962 10,963 1,964 1.087,965 5,966 358,967 0.087,968 23,969 188.666,973 1,974 26.327,975 10.466,976 6.984,977 0.513,978 221.985,979 9.624,980 25.159,984 2.271,985 1.552,986 52.426,987 648.661,988 55.5,991 -3.739,993 37.706,997 -0.431,999 68.131,1000 76.766,1001 0.292,1002 0.673,1003 0.834,1004 0.874,1005 0.874,1006 0.874,1007 5.31,1008 1.946,1009 6.232,1010 6.881,1011 4.828,1012 5.371,1013 1.758,1014 7.091,1015 4.737,1016 6.571,1017 1.766,1018 7.829,1019 5.416,1020 4.745,1021 5.491,1022 1.195,1023 8.324,1024 4.607,1025 7.929,1026 1.619,1027 9.535,1028 5.076,1029 6.553,1030 7.677,1031 2.415,1032 11.293,1033 6.359,1034 9.323,1035 1.518,1036 11.305,1037 4.344,1038 7.201,1039 8.574,1040 2.324,1041 13.293,1042 6.95,1043 10.748,1044 1.274,1045 13.118,1046 4.33,1047 8.585,1048 10.328,1049 3.244,1050 15.902,1051 8.279,1052 12.195,1053 1.222,1054 14.96,1055 3.548,1056 9.537,1057 11.568,1058 3.407,1059 18.204,1060 9.164,1061 13.661,1062 1.083,1063 16.825,1064 2.812,1065 10.779,1066 13.17,1067 4.156,1068 20.726,1069 10.349,1070 3.464,1071 0.721,1072 18.707,1073 2.497,1074 11.863,1075 14.566,1076 4.464,1077 23.156,1078 11.361,1079 3.062,1080 12.767,1081 20.605,1082 1.725,1083 13.063,1084 16.113,1085 5.111,1086 25.668,1087 12.496,1088 2.982,1089 9.835,1090 22.515,1091 4.714,1092 14.207,1093 17.58,1094 5.504,1095 28.156,1096 13.567,1097 2.955,1098 9.671,1099 24.436,1100 4.449,1101 15.399,1102 19.11,1103 6.091,1104 30.676,1105 14.689,1106 2.71,1107 9.381,1108 26.366,1109 3.795,1110 16.575,1111 20.61,1112 6.531,1113 33.191,1114 15.788,1115 2.439,1116 8.782,1117 28.305,1118 3.695,1119 17.771,1120 22.137,1121 7.083,1122 35.721,1123 16.91,1124 2.39,1125 6.938,1126 30.251,1127 3.072,1128 18.965,1129 23.653,1130 7.551,1131 38.251,1132 18.026,1133 26062,1134 43942,1135 27.622,1136 43.926,1137 64.742,1138 65.602,1139 64.512,1140 63.81,1141 63.827,1142 83.321,1143 3.806,1144 191.79,1145 61.081,1146 5.811,1147 6.691,1148 7.043,1149 5.471,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.183,1155 21.236,1156 1.541,1157 1.562,1158 1.536,1159 1.519,1160 1.52,1161 1.984,1162 0.091,1163 4.566,1164 1.454,1165 4.143,1166 4.183,1167 4.736,1168 4.072,1169 7.717,1170 4.023,1171 4.019,1172 4.061,1173 4.081,1174 3.887,1175 7.431,1176 3.864,1177 3.99,1178 4.019,1179 3.931,1180 3.826,1181 6.999,1182 3.832,1183 3.741,1184 3.808,1185 3.694,1186 3.58,1187 5.185,1188 3.581,1189 3.712,1190 3.776,1191 3.604,1192 3.522,1193 5.15,1194 3.531,1195 3.575,1196 3.644,1197 3.5,1198 3.404,1199 4.845,1200 3.371,1201 3.499,1202 3.512,1203 3.485,1204 3.238,1205 4.37,1206 3.279,1207 3.329,1208 3.388,1209 3.239,1210 3.1,1211 4.33,1212 3.124,1213 0.116,1214 0.112,1215 0.175,1216 0.105,1217 0.082,1218 4.877,1219 0.112,1220 4.691,1221 0.039,1222 7.356,1223 0.304,1224 4.395,1225 0.077,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.214,1242 1.996,1243 1.68,1244 1.62,1245 1.91,1246 1.934,1247 1.137,1248 1.924,1249 1.676,1250 1.606,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.426,1256 1.366,1257 1.551,1258 1.756,1259 0.87,1260 1.694,1261 1.371,1262 1.331,1263 1.513,1264 1.581,1265 0.825,1266 1.562,1267 1.309,1268 1.305,1269 1.51,1270 1.513,1271 0.607,1272 1.525,1273 1.159,1274 1.068,1275 1.417,1276 1.487,1277 0.482,1278 1.464,1279 4.443,1280 1.946,1281 5.808,1282 4.111,1283 7.334,1284 6.107,1285 8.933,1286 8.017,1287 10.577,1289 5.312,1295 3.856,1296 8.009,1299 0.454,1301 -0.627,1305 42.308,1306 118.696,1307 273.46,1308 338.879,1309 355.144,1310 355.144,1311 355.144,1312 84.205,1313 8.486,1314 173.98,1315 182.36,1316 25,1317 12.917,1318 4.644,1319 3.858,1320 59.631,1321 230,1322 233,1323 0.123,1324 263.01,1325 440.54,1326 633.505,1327 73648,1329 26.916,1330 0.708,1331 0.582,1332 27.166,1333 22.104,1334 18.055,1335 0.43,1336 0.327,1337 12.143,1338 16.359,1339 11.693,1340 9.747,1341 18.876,1342 13.724,1343 18.182,1344 0.293,1345 0.191,1346 19.469,1347 11.855,1348 12.802,1349 0.175,1350 0.096,1351 13.979,1352 7.021,1353 11.3,1354 0.116,1355 0.052,1356 12.537,1357 5.038,1358 7.992,1359 0.073,1360 0.027,1361 8.705,1362 2.977,1363 0.202,1364 123.152,1365 0.19,1366 35.601,1367 0.311,1368 208,1369 660.227,1370 273.271,1371 657.377,1372 897.3,1373 606,1374 242,1375 659.588,1376 318.237,1377 694.918,1378 1006.27,1379 648,1380 5.2}
{0 CHEMBL2057370,1 1.83,2 13.875,3 0.32,4 0.103,5 117.825,6 8.225,7 0.471,8 4.137,9 4.261,10 3.899,11 3.605,12 5.293,13 3.596,14 4.667,15 4.846,16 4.22,17 3.977,18 6.037,19 3.958,20 4.885,21 5.065,22 4.253,23 4.135,24 6.129,25 4.072,26 5.039,27 5.275,28 4.22,29 4.109,30 6.316,31 4.038,32 4.865,33 5.059,34 4.12,35 3.977,36 6.269,37 3.955,38 4.729,39 4.914,40 4.05,41 3.959,42 5.988,43 3.914,44 4.819,45 5.056,46 4.003,47 3.881,48 6.075,49 3.836,50 4.564,51 4.757,52 3.883,53 3.797,54 5.807,55 3.74,56 0.205,57 0.921,58 13.154,59 4.528,60 20.713,61 5.736,62 0.702,63 1.363,64 22.952,65 7.585,66 77.892,67 10.056,68 0.709,69 1.58,70 30.651,71 9.652,72 76.408,73 12.152,74 1.092,75 1.553,76 47.197,77 11.987,78 138.037,79 15.422,80 1.107,81 1.359,82 30.825,83 8.356,84 155.26,85 10.731,86 0.506,87 1.352,88 25.074,89 7.795,90 48.24,91 10.579,92 0.968,93 1.289,94 31.043,95 7.47,96 102.514,97 10.777,98 0.535,99 1.123,100 20.199,101 6.841,102 53.484,103 9.435,104 80,105 50,106 0.299,107 0.661,108 0.799,109 0.825,110 0.825,111 0.825,112 3.502,113 0.976,114 -1.98,115 -2.03,116 -2.03,119 33.9,120 3,124 1,125 1,130 1,142 3,143 2,144 1,145 2,150 1,151 1,158 1,159 1,161 1,166 1,172 4,174 3,175 4,178 7,179 1,180 3,183 6,187 9,190 2,191 1,192 1,195 2,198 4,199 13,202 3,204 2,207 1,211 3,212 5,215 3,216 1,217 3,220 3,223 1,224 7,229 3,232 3,236 5,237 4,240 3,242 4,245 3,249 3,250 1,253 3,255 1,258 3,262 2,263 5,266 1,268 2,271 3,275 1858,276 20.392,277 20.392,278 20.392,279 20.392,280 20.392,281 18.049,282 19.199,283 11.71,284 20.938,285 16.752,286 16.752,287 16.752,288 16.752,289 16.752,290 12.911,291 22.037,292 5.559,293 17.576,294 3.978,295 1.756,296 0.907,297 0.751,298 0.751,299 0.751,300 4.174,304 1,305 1,306 913,307 5.099,310 79.937,311 206.323,314 143.212,318 2.391,319 47.66,322 0.75,323 0.67,324 0.83,325 0.7,327 0.67,328 0.5,329 0.59,330 72,331 444,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.958,339 12.767,340 3.217,341 4.512,342 3.622,343 6.365,344 4.016,345 3.062,346 4.449,347 1.652,348 9.835,349 2.939,350 4.128,351 3.497,352 6.322,353 3.909,354 2.955,355 3.695,356 0.337,357 9.671,358 2.79,359 3.995,360 3.18,361 6.045,362 3.681,363 2.711,364 3.074,365 0.145,366 8.782,367 2.609,368 3.761,369 3.048,370 5.351,371 3.442,372 2.463,373 3,375 6.912,376 2.401,377 3.59,378 2.719,379 5.007,380 3.235,381 2.248,382 2.826,384 5.937,385 2.2,386 3.391,387 2.14,388 4.872,389 2.879,390 1.908,391 2.691,393 5.357,394 1.847,395 3.169,396 1.814,397 4.664,398 2.684,399 1.73,400 2.397,402 4.948,403 1.641,404 3.011,405 1.523,406 4.452,407 2.475,408 1.517,409 2.25,411 4.343,412 1.449,413 2.733,414 1.438,415 4.226,416 2.215,417 1.237,418 1.824,420 3.543,421 1.206,422 2.579,423 1.334,424 3.498,425 2.024,426 1.084,427 1.614,428 2.498,429 1.015,430 1.903,431 1.104,432 3.278,433 1.623,434 0.692,435 0.725,436 1.377,437 0.64,438 1.794,439 1.089,440 3.162,441 1.374,442 0.41,443 0.61,445 1.08,446 0.394,447 1.45,448 0.492,449 3.104,450 1.124,451 0.141,452 0.164,454 0.206,455 0.136,456 1.106,457 0.408,458 2.691,459 0.689,460 -0.293,461 -0.358,463 -0.776,464 -0.284,465 14.867,466 0.465,467 1.208,468 0.038,469 42,470 1.313,471 20.5,472 0.641,473 21.5,474 0.672,475 27.097,476 0.847,477 36.133,478 0.645,479 36.487,480 1.14,481 8.17,482 0.255,483 6.795,484 0.212,485 0.224,486 0.09,487 0.262,493 0.665,494 1.604,495 0.808,496 1.343,497 0.647,498 1.015,499 0.533,500 1.015,501 0.739,502 0.889,503 0.498,504 0.822,505 1.119,506 1.22,507 1.195,508 1.221,509 1.066,510 1.175,511 1.044,512 0.913,513 1.225,514 1.1,515 1.077,516 0.83,517 1.459,518 0.85,519 1.015,520 0.756,521 1.63,522 0.866,523 0.993,524 1.418,525 1.062,526 1.282,527 0.865,528 1.209,529 1.104,530 0.769,531 0.938,532 0.733,533 1.091,534 0.826,535 0.736,536 1.12,537 0.867,538 1.096,539 0.79,540 1.162,541 10.5,542 0.227,543 3.778,544 2.854,545 1.653,546 1.372,547 0.799,548 0.606,549 0.494,550 0.339,551 13933,552 46654,553 1.944,554 42.9,556 8,557 1,558 2,559 4,561 9,564 1.742,565 1.761,566 3.721,567 1.725,569 1,573 102.462,574 1.83,575 4.052,576 4.9,577 5.057,578 5.057,579 5.057,580 3.242,581 4.351,582 4.965,583 3.933,584 1950.67,585 8.672,586 29425.3,591 325.212,592 1.772,593 4.881,594 0.309,595 0.009,596 0.076,597 0.061,598 0.034,599 0.031,600 0.019,601 0.016,602 0.015,603 0.011,604 0.58,605 0.17,606 0.75,607 1.875,608 170.663,609 -0.001,610 -0.263,611 0.175,612 -0.121,613 -0.131,614 -0.009,615 0.31,616 0.149,617 0.179,618 0.135,619 0.238,620 0.142,621 -0.183,622 -0.094,623 -0.166,624 -0.117,625 -0.147,626 -0.193,627 0.014,628 0.031,629 0.033,630 0.053,631 0.04,632 0.196,633 -0.158,634 0.124,635 -0.086,636 0.159,637 -0.169,638 0.052,639 -0.151,640 -0.31,641 -0.153,642 -0.257,643 -0.071,644 -0.226,645 -0.045,646 0.198,647 0.011,648 0.148,649 -0.074,650 0.105,651 0.091,652 -0.044,653 -0.039,654 -0.131,655 -0.011,656 -0.176,657 4.661,658 5.615,659 0.469,660 40.32,661 1.023,662 1.144,663 0.748,664 0.559,665 0.654,666 3.555,667 3.932,668 4.078,669 4.344,670 4.511,671 4.615,672 4.812,673 4.934,674 5.037,675 5.159,676 8.049,677 0.633,678 460.58,679 3.555,680 5.13,681 5.953,682 6.855,683 7.701,684 8.606,685 9.464,686 10.37,687 11.236,688 12.142,689 14.3,691 1,696 3,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 56,733 20,735 34,737 58,738 19,739 11,746 3,747 4,751 1,752 3,761 13,762 6,763 1,766 4,769 1,771 4,775 2,778 1,781 24,782 11,783 4,784 13,785 1,790 8,794 0.667,795 4,805 2,811 1,812 2,815 1,826 1,840 2,842 1,844 4,848 32,852 1,854 1,855 4,860 1,867 1,870 7.1,873 4,877 18.167,878 11.133,879 6.806,880 2.982,881 3.419,882 1.441,883 0.952,884 6.909,885 11.17,886 3.85,887 4.497,888 4.974,889 5.584,890 6.113,891 6.51,892 7.041,893 7.472,894 7.823,895 8.266,896 1,897 47,898 12.073,900 5.387,901 8.135,902 21.729,904 17.412,905 2.635,906 84.333,910 235.422,911 118.873,912 121.835,914 94.603,916 5.807,917 113.065,918 330.025,919 121.835,920 34.872,921 56.138,922 59.689,923 174.799,924 27.181,925 17.946,926 200.109,928 235.422,929 234.901,930 94.603,931 5.807,933 129.482,934 200.543,937 121.892,938 62.775,939 56.042,941 235.422,942 216.438,943 118.873,945 5.807,946 235.422,947 22.622,948 91.607,949 70.437,950 144.837,951 235.422,952 216.438,953 118.873,955 0.597,956 0.312,957 0.159,958 0.083,959 23,960 12,961 0.121,962 7,963 1,964 1.133,965 4.192,966 280.571,967 0.133,968 15,969 153.245,973 1,974 23.76,975 9.305,976 6.315,977 0.46,978 215.274,979 9.393,980 12.439,984 1.3,986 70.437,987 570.733,988 46,991 -3.744,993 48.295,997 -0.971,999 57.269,1000 64.066,1001 0.315,1002 0.698,1003 0.844,1004 0.871,1005 0.871,1006 0.871,1007 5.118,1008 1.73,1009 6.023,1010 5.357,1011 4.615,1012 5.185,1013 2.517,1014 6.889,1015 4.521,1016 6.39,1017 1.517,1018 7.629,1019 4.948,1020 4.575,1021 5.373,1022 1.977,1023 8.169,1024 4.436,1025 7.758,1026 1.237,1027 9.345,1028 4.343,1029 6.351,1030 7.518,1031 3.428,1032 11.131,1033 6.146,1034 9.162,1035 1.084,1036 11.126,1037 3.543,1038 7.031,1039 8.459,1040 3.457,1041 13.171,1042 6.765,1043 10.595,1044 0.692,1045 12.949,1046 2.498,1047 8.402,1048 10.201,1049 4.523,1050 15.79,1051 8.073,1052 12.051,1053 0.41,1054 14.803,1055 1.377,1056 9.377,1057 11.471,1058 4.828,1059 18.121,1060 8.977,1061 13.525,1062 0.141,1063 16.679,1064 1.08,1065 10.62,1066 13.076,1067 5.707,1068 20.657,1069 10.153,1070 3.464,1071 -0.293,1072 18.574,1073 0.206,1074 11.722,1075 14.492,1076 6.165,1077 23.105,1078 11.179,1079 3.062,1080 12.767,1081 20.484,1082 -0.776,1083 12.927,1084 16.046,1085 6.946,1086 25.627,1087 12.315,1088 2.955,1089 9.835,1090 22.406,1091 4.714,1092 14.087,1093 17.526,1094 7.491,1095 28.126,1096 13.396,1097 2.711,1098 9.671,1099 24.338,1100 4.449,1101 15.287,1102 19.063,1103 8.22,1104 30.653,1105 14.523,1106 2.463,1107 8.782,1108 26.28,1109 3.695,1110 16.475,1111 20.572,1112 8.815,1113 33.174,1114 15.633,1115 2.248,1116 6.912,1117 28.228,1118 3.074,1119 17.681,1120 22.105,1121 9.516,1122 35.708,1123 16.762,1124 1.908,1125 5.937,1126 30.184,1127 3,1128 18.885,1129 23.627,1130 10.141,1131 38.241,1132 17.887,1133 13980,1134 25779,1135 21.266,1136 36.602,1137 51.903,1138 54.29,1139 53.054,1140 51.224,1141 51.25,1142 68.07,1143 8.186,1144 154.51,1145 48.97,1146 5.784,1147 6.691,1148 6.917,1149 5.465,1150 5.464,1151 7.714,1152 3.432,1153 20.458,1154 5.173,1155 21.892,1156 1.527,1157 1.597,1158 1.56,1159 1.507,1160 1.507,1161 2.002,1162 0.241,1163 4.544,1164 1.44,1165 4.141,1166 4.179,1167 4.736,1168 4.071,1169 7.717,1170 4.021,1171 4.019,1172 4.02,1173 4.079,1174 3.886,1175 7.435,1176 3.864,1177 3.736,1178 3.793,1179 3.696,1180 3.579,1181 7.425,1182 3.58,1183 3.688,1184 3.749,1185 3.616,1186 3.439,1187 6.999,1188 3.472,1189 3.527,1190 3.551,1191 3.495,1192 3.395,1193 5.154,1194 3.357,1195 3.425,1196 3.462,1197 3.374,1198 3.166,1199 4.845,1200 3.192,1201 3.214,1202 3.291,1203 3.134,1204 2.97,1205 4.37,1206 2.992,1207 3.025,1208 3.086,1209 2.833,1210 2.77,1211 4.328,1212 2.775,1213 0.143,1214 0.138,1215 0.216,1216 0.129,1217 0.102,1218 4.877,1219 0.139,1220 4.691,1221 0.058,1222 7.356,1223 0.376,1224 4.395,1225 0.095,1226 3.464,1227 4.714,1228 1.958,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.786,1246 1.89,1247 0.943,1248 1.855,1249 1.589,1250 1.53,1251 1.782,1252 1.843,1253 0.868,1254 1.855,1255 1.386,1256 1.341,1257 1.592,1258 1.711,1259 0.631,1260 1.67,1261 1.309,1262 1.302,1263 1.417,1264 1.488,1265 0.482,1266 1.525,1267 1.174,1268 1.076,1269 1.417,1270 1.482,1271 0.469,1272 1.476,1273 0.934,1274 0.865,1275 1.402,1276 1.239,1277 0.469,1278 1.308,1279 4.234,1281 5.595,1282 2.398,1283 7.117,1284 4.727,1285 8.715,1286 6.823,1287 10.357,1289 6.728,1295 -0.184,1296 9.809,1301 -0.634,1305 35.432,1306 102.462,1307 226.889,1308 274.418,1309 283.173,1310 283.173,1311 283.173,1312 89.8,1313 7.751,1314 159.48,1315 167.86,1316 17,1317 12.668,1318 4.392,1319 3.7,1320 61.484,1321 154,1322 174,1323 0.196,1324 225.968,1325 385.39,1326 543.123,1327 25319,1329 23.518,1330 0.735,1331 0.588,1332 23.768,1333 18.818,1334 14.964,1335 0.44,1336 0.325,1337 9.508,1338 13.404,1339 9.025,1340 7.612,1341 15.786,1342 11.063,1343 15.212,1344 0.304,1345 0.192,1346 16.499,1347 9.584,1348 10.51,1349 0.181,1350 0.099,1351 11.687,1352 5.767,1353 8.872,1354 0.117,1355 0.054,1356 10.109,1357 4.093,1358 6.545,1359 0.073,1360 0.027,1361 7.258,1362 2.438,1363 0.315,1364 103.818,1365 0.217,1366 30.298,1367 0.519,1368 168,1369 587.714,1370 229.13,1371 583.439,1372 776.45,1373 534,1374 192,1375 541.176,1376 262.265,1377 581.361,1378 838.16,1379 539,1380 4.8}
{0 CHEMBL2057371,1 1.775,2 14.829,3 0.987,4 0.975,5 130.262,6 7.947,7 0.421,8 4.254,9 4.378,10 3.986,11 3.74,12 5.344,13 3.722,14 4.821,15 5.003,16 4.322,17 4.139,18 6.097,19 4.107,20 5.069,21 5.273,22 4.331,23 4.285,24 6.211,25 4.202,26 5.169,27 5.412,28 4.311,29 4.226,30 6.405,31 4.149,32 4.994,33 5.19,34 4.192,35 4.09,36 6.355,37 4.057,38 4.871,39 5.079,40 4.133,41 4.068,42 6.054,43 4.014,44 4.931,45 5.166,46 4.116,47 3.989,48 6.175,49 3.95,50 4.711,51 4.905,52 3.985,53 3.917,54 5.939,55 3.863,56 0.18,57 1.036,58 15.249,59 5.364,60 21.837,61 6.962,62 0.709,63 1.599,64 27.185,65 9.111,66 76.733,67 12.365,68 0.726,69 1.851,70 38.476,71 11.852,72 82.419,73 15.751,74 1.092,75 1.766,76 52.55,77 13.795,78 145.534,79 18.06,80 1.163,81 1.545,82 35.618,83 9.536,84 165.12,85 12.485,86 0.507,87 1.528,88 30.629,89 9.022,90 57.041,91 12.775,92 0.983,93 1.459,94 34.731,95 8.393,96 108.405,97 12.166,98 0.624,99 1.286,100 24.561,101 7.686,102 71.174,103 10.669,104 53,105 56,106 0.282,107 0.637,108 0.789,109 0.806,110 0.806,111 0.806,112 3.588,113 1,114 -2.65,115 -2.67,116 -2.59,119 34.9,120 3,121 2,125 3,130 1,142 3,143 2,144 1,145 2,150 1,151 1,158 1,159 1,161 1,166 1,172 5,174 4,175 6,178 6,179 1,180 3,183 6,187 9,190 3,192 1,195 2,198 4,199 15,202 3,204 2,207 1,211 4,212 5,215 3,217 5,220 3,223 1,224 7,229 3,232 3,236 7,237 6,240 1,242 6,245 3,249 4,250 1,253 2,255 1,258 3,262 2,263 10,266 1,268 1,271 3,275 2351,276 22.59,277 22.59,278 22.59,279 22.59,280 22.59,281 20.273,282 22.988,283 13.033,284 23.169,285 18.803,286 18.803,287 18.803,288 18.803,289 18.803,290 15.013,291 27.067,292 6.25,293 19.737,294 4.202,295 1.976,296 1.016,297 0.909,298 0.909,299 0.909,300 4.273,306 1101,307 5.05,310 204.535,311 229.841,314 159.483,318 2.586,319 50.663,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 78,331 519,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.988,339 12.767,340 3.217,341 4.512,342 3.737,343 6.365,344 4.017,345 3.062,346 4.449,347 1.653,348 9.835,349 2.939,350 4.128,351 3.531,352 6.322,353 3.909,354 2.955,355 3.695,356 0.602,357 9.671,358 2.79,359 3.996,360 3.18,361 6.045,362 3.762,363 2.802,364 3.13,365 0.254,366 8.782,367 2.682,368 3.961,369 3.048,370 6.023,371 3.677,372 2.708,373 3.064,374 0.036,375 8.556,376 2.605,377 3.706,378 2.719,379 5.341,380 3.352,381 2.39,382 2.973,384 6.882,385 2.285,386 3.401,387 2.412,388 4.877,389 2.909,390 1.95,391 2.727,393 5.424,394 1.869,395 3.179,396 2.139,397 4.734,398 2.778,399 1.794,400 2.41,402 5.1,403 1.765,404 3.013,405 1.814,406 4.453,407 2.659,408 1.677,409 2.253,411 4.344,412 1.627,413 2.925,414 1.523,415 4.274,416 2.475,417 1.517,418 1.92,420 4.113,421 1.449,422 2.733,423 1.438,424 4.223,425 2.215,426 1.237,427 1.823,428 3.541,429 1.206,430 2.579,431 1.334,432 3.498,433 2.024,434 1.084,435 1.614,436 2.498,437 1.015,438 1.955,439 1.133,440 3.301,441 1.87,442 0.905,443 0.93,445 2.086,446 0.869,447 1.903,448 1.104,449 3.278,450 1.591,451 0.618,452 0.618,454 1.372,455 0.6,456 1.667,457 0.744,458 3.161,459 1.375,460 0.411,461 0.611,463 1.082,464 0.395,465 16.367,466 0.468,467 1.259,468 0.036,469 44.25,470 1.264,471 20.5,472 0.586,473 23.75,474 0.679,475 32.152,476 0.919,477 39.433,478 0.626,479 38.177,480 1.091,481 8.234,482 0.235,483 8.265,484 0.236,485 0.173,486 0.081,487 0.263,493 0.632,494 1.606,495 0.804,496 1.341,497 0.612,498 1.038,499 0.54,500 1.074,501 0.773,502 0.941,503 0.469,504 0.893,505 1.046,506 1.162,507 1.142,508 1.175,509 0.963,510 1.146,511 1.08,512 0.915,513 1.157,514 1.063,515 1.16,516 0.808,517 1.618,518 0.904,519 1.078,520 0.795,521 1.83,522 0.916,523 0.972,524 1.322,525 0.994,526 1.173,527 0.827,528 1.093,529 1.229,530 0.827,531 0.939,532 0.756,533 1.253,534 0.817,535 1.003,536 1.103,537 0.941,538 1.03,539 1.088,540 1.111,541 10.5,542 0.24,543 4.222,544 3.007,545 1.743,546 1.452,547 0.825,548 0.688,549 0.463,550 0.373,551 19734,552 56849,553 2.011,554 44.4,556 9,557 1,558 2,559 3,561 13,564 1.763,565 1.842,566 3.825,567 0.933,573 111.855,574 1.775,575 4.001,576 4.961,577 5.068,578 5.068,579 5.068,580 3.272,581 4.765,582 5.097,583 4.062,584 2417.09,585 8.926,586 39702.2,591 376.569,592 1.71,593 5.027,594 0.276,595 0.007,596 0.075,597 0.059,598 0.033,599 0.031,600 0.018,601 0.016,602 0.012,603 0.01,604 0.539,605 0.33,606 0.75,607 1.051,608 193.066,609 0.03,610 -0.273,611 0.18,612 -0.125,613 -0.098,614 -0.014,615 0.297,616 0.095,617 0.141,618 0.079,619 0.236,620 0.079,621 -0.129,622 -0.077,623 -0.116,624 -0.108,625 -0.091,626 -0.157,627 0.035,628 0.017,629 0.08,630 0.059,631 0.046,632 0.204,633 -0.189,634 0.074,635 -0.131,636 0.111,637 -0.197,638 -0.01,639 -0.109,640 -0.247,641 -0.058,642 -0.174,643 -0.04,644 -0.111,645 -0.052,646 0.155,647 0.022,648 0.121,649 -0.089,650 0.095,651 -0.005,652 -0.036,653 -0.083,654 -0.088,655 -0.089,656 -0.154,657 4.663,658 5.671,659 0.571,660 46.482,661 1.016,662 1.141,663 1.417,664 2.008,665 0.653,666 3.664,667 4.043,668 4.22,669 4.489,670 4.605,671 4.71,672 4.883,673 5.004,674 5.112,675 5.236,676 8.824,677 0.627,678 500.65,679 3.664,680 5.242,681 6.075,682 6.976,683 7.827,684 8.728,685 9.587,686 10.487,687 11.353,688 12.253,689 12.7,691 1,696 3,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 63,733 20,735 38,737 66,738 22,739 11,746 4,747 5,751 1,752 3,755 2,758 2,761 13,762 9,763 1,766 4,769 1,771 4,775 2,781 28,782 11,783 3,784 13,785 1,790 8,794 0.75,795 4,805 2,808 1,811 2,812 2,815 1,827 1,840 3,842 1,844 3,848 35,852 1,854 5,855 3,859 1,860 1,867 1,870 6.3,873 4,877 19,878 12.083,879 7.333,880 3.669,881 3.375,882 1.416,883 0.967,884 7.198,885 11.493,886 3.932,887 4.562,888 5.041,889 5.635,890 6.137,891 6.529,892 7.051,893 7.48,894 7.83,895 8.273,896 0.9,897 51,898 13.26,900 5.997,901 8.01,902 24.363,904 20.177,905 2.51,906 87.833,910 294.278,911 119.757,912 106.949,914 94.603,916 5.807,917 113.95,918 388.88,919 106.949,920 26.476,921 50.532,922 59.689,923 174.799,924 27.181,925 17.946,926 258.964,928 294.278,929 220.898,930 94.603,931 5.807,933 141.253,934 247.627,937 116.286,938 54.379,939 56.042,941 294.278,942 201.552,943 119.757,945 5.807,946 294.278,947 31.903,948 86.335,949 52.426,950 144.837,951 294.278,952 201.552,953 119.757,955 0.599,956 0.32,957 0.17,958 0.082,959 27,960 13,961 0.106,962 7,963 1,964 1.1,965 4.552,966 321.798,967 0.1,968 20,969 168.77,973 1,974 25.204,975 9.996,976 6.411,977 0.475,978 200.388,979 9.485,980 12.587,984 1.352,986 52.426,987 615.586,988 50,991 -3.746,993 49.587,997 -0.706,999 64.036,1000 71.896,1001 0.297,1002 0.669,1003 0.83,1004 0.848,1005 0.848,1006 0.848,1007 5.209,1008 1.794,1009 6.133,1010 5.424,1011 4.727,1012 5.25,1013 2.567,1014 6.995,1015 4.632,1016 6.465,1017 1.677,1018 7.734,1019 5.1,1020 4.635,1021 5.4,1022 2.029,1023 8.238,1024 4.486,1025 7.824,1026 1.517,1027 9.445,1028 4.344,1029 6.45,1030 7.552,1031 3.467,1032 11.214,1033 6.242,1034 9.221,1035 1.237,1036 11.222,1037 4.113,1038 7.107,1039 8.482,1040 3.523,1041 13.23,1042 6.835,1043 10.649,1044 1.084,1045 13.041,1046 3.541,1047 8.49,1048 10.221,1049 4.582,1050 15.844,1051 8.157,1052 12.101,1053 0.905,1054 14.89,1055 2.498,1056 9.451,1057 11.486,1058 4.918,1059 18.159,1060 9.048,1061 13.571,1062 0.618,1063 16.761,1064 2.086,1065 10.694,1066 13.087,1067 5.797,1068 20.687,1069 10.227,1070 3.464,1071 0.411,1072 18.649,1073 1.372,1074 11.786,1075 14.5,1076 6.284,1077 23.125,1078 11.245,1079 3.062,1080 12.767,1081 20.552,1082 1.082,1083 12.987,1084 16.052,1085 7.069,1086 25.643,1087 12.378,1088 2.955,1089 9.835,1090 22.467,1091 4.714,1092 14.138,1093 17.53,1094 7.64,1095 28.136,1096 13.453,1097 2.802,1098 9.671,1099 24.393,1100 4.449,1101 15.333,1102 19.067,1103 8.376,1104 30.66,1105 14.576,1106 2.708,1107 8.782,1108 26.328,1109 3.695,1110 16.514,1111 20.574,1112 8.995,1113 33.179,1114 15.68,1115 2.39,1116 8.556,1117 28.27,1118 3.13,1119 17.715,1120 22.106,1121 9.706,1122 35.711,1123 16.804,1124 1.95,1125 6.882,1126 30.22,1127 3.064,1128 18.914,1129 23.628,1130 10.353,1131 38.243,1132 17.924,1133 18980,1134 32481,1135 24.444,1136 41.125,1137 58.197,1138 60.503,1139 58.186,1140 57.841,1141 57.81,1142 74.646,1143 9.065,1144 173.615,1145 55.268,1146 5.853,1147 6.691,1148 6.954,1149 5.476,1150 5.464,1151 7.714,1152 3.466,1153 20.458,1154 5.173,1155 21.553,1156 1.531,1157 1.592,1158 1.531,1159 1.522,1160 1.521,1161 1.964,1162 0.239,1163 4.569,1164 1.454,1165 4.142,1166 4.18,1167 4.736,1168 4.071,1169 7.717,1170 4.022,1171 4.019,1172 4.02,1173 4.08,1174 3.886,1175 7.434,1176 3.864,1177 3.87,1178 3.932,1179 3.768,1180 3.688,1181 7.424,1182 3.695,1183 3.723,1184 3.781,1185 3.69,1186 3.577,1187 6.999,1188 3.576,1189 3.6,1190 3.657,1191 3.51,1192 3.41,1193 5.154,1194 3.397,1195 3.502,1196 3.507,1197 3.485,1198 3.325,1199 4.845,1200 3.323,1201 3.324,1202 3.365,1203 3.252,1204 3.114,1205 4.371,1206 3.132,1207 3.122,1208 3.159,1209 3.075,1210 2.849,1211 4.328,1212 2.901,1213 0.128,1214 0.123,1215 0.194,1216 0.116,1217 0.091,1218 4.877,1219 0.124,1220 4.691,1221 0.052,1222 7.356,1223 0.336,1224 4.395,1225 0.085,1226 3.464,1227 4.714,1228 1.988,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.211,1242 1.996,1243 1.677,1244 1.619,1245 1.86,1246 1.895,1247 1.137,1248 1.859,1249 1.613,1250 1.557,1251 1.786,1252 1.843,1253 1.018,1254 1.855,1255 1.577,1256 1.507,1257 1.782,1258 1.751,1259 0.943,1260 1.793,1261 1.414,1262 1.355,1263 1.586,1264 1.723,1265 0.768,1266 1.679,1267 1.311,1268 1.32,1269 1.417,1270 1.492,1271 0.482,1272 1.525,1273 1.205,1274 1.124,1275 1.417,1276 1.487,1277 0.469,1278 1.477,1279 4.344,1281 5.707,1282 3.045,1283 7.229,1284 5.283,1285 8.825,1286 7.286,1287 10.465,1289 5.285,1295 3.301,1296 7.657,1300 1.721,1301 -0.633,1305 39.485,1306 111.855,1307 252.084,1308 312.53,1309 319.284,1310 319.284,1311 319.284,1312 91.062,1313 8.118,1314 150.69,1315 159.07,1316 22,1317 12.782,1318 4.392,1319 3.7,1320 59.858,1321 187,1322 176,1323 0.155,1324 247.352,1325 424.93,1326 595.299,1327 42874,1329 25.217,1330 0.72,1331 0.588,1332 25.467,1333 20.593,1334 16.499,1335 0.434,1336 0.333,1337 11.111,1338 14.925,1339 10.651,1340 8.891,1341 17.32,1342 12.669,1343 16.72,1344 0.299,1345 0.196,1346 18.007,1347 10.999,1348 11.98,1349 0.179,1350 0.104,1351 13.157,1352 6.938,1353 10.408,1354 0.118,1355 0.058,1356 11.645,1357 5.078,1358 7.262,1359 0.073,1360 0.028,1361 7.975,1362 2.812,1363 0.252,1364 113.042,1365 0.202,1366 32.85,1367 0.405,1368 188,1369 613.027,1370 250.157,1371 607.558,1372 815.03,1373 558,1374 217,1375 574.585,1376 289.096,1377 613.615,1378 890.16,1379 571,1380 6}
{0 CHEMBL2057372,1 1.807,2 15.528,3 0.214,4 0.046,5 131.797,6 8.073,7 0.41,8 4.277,9 4.395,10 4.016,11 3.737,12 5.383,13 3.732,14 4.844,15 5.019,16 4.345,17 4.125,18 6.133,19 4.109,20 5.077,21 5.266,22 4.377,23 4.297,24 6.242,25 4.231,26 5.199,27 5.434,28 4.337,29 4.268,30 6.427,31 4.189,32 5.06,33 5.267,34 4.239,35 4.12,36 6.418,37 4.088,38 4.902,39 5.107,40 4.161,41 4.079,42 6.09,43 4.031,44 4.95,45 5.181,46 4.139,47 4.001,48 6.194,49 3.967,50 4.74,51 4.927,52 4.045,53 3.927,54 6.023,55 3.885,56 0.214,57 1.037,58 15.126,59 5.384,60 23.445,61 6.855,62 0.841,63 1.576,64 27.841,65 8.955,66 82.999,67 11.843,68 0.906,69 1.857,70 37.95,71 11.606,72 85.818,73 15.055,74 1.172,75 1.821,76 53.119,77 14.206,78 148.808,79 18.653,80 1.377,81 1.585,82 38.734,83 10.164,84 183.353,85 13.557,86 0.663,87 1.541,88 31.412,89 9.08,90 61.237,91 12.825,92 1.067,93 1.463,94 35.172,95 8.445,96 112.15,97 12.213,98 0.8,99 1.295,100 24.963,101 7.705,102 82.007,103 10.661,104 53,105 57,106 0.287,107 0.643,108 0.793,109 0.81,110 0.81,111 0.81,112 3.615,113 0.981,114 -1.94,115 -1.99,116 -1.99,119 34.4,120 3,125 5,130 1,142 3,143 2,144 1,145 2,150 1,151 1,158 1,159 1,161 1,166 1,172 4,174 4,175 4,178 6,179 1,180 3,183 6,186 1,187 9,190 3,192 1,195 2,198 4,199 13,202 3,204 2,207 1,211 5,212 5,215 3,217 3,220 3,223 1,224 7,227 1,229 3,232 3,236 7,237 4,240 1,242 4,245 3,249 5,250 1,253 3,255 1,258 3,262 2,263 6,266 1,268 1,271 3,275 2566,276 23.297,277 23.297,278 23.297,279 23.297,280 23.297,281 20.98,282 23.764,283 13.533,284 24.036,285 19.303,286 19.303,287 19.303,288 19.303,289 19.303,290 15.513,291 28.608,292 6.5,293 20.459,294 4.193,295 1.945,296 1.001,297 0.895,298 0.895,299 0.895,300 4.302,306 1185,307 5.05,310 91.046,311 378.3,314 164.833,318 2.665,319 54.316,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 81,331 559,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.988,339 12.767,340 3.217,341 4.512,342 3.737,343 6.365,344 4.017,345 3.062,346 4.449,347 1.653,348 9.835,349 2.939,350 4.128,351 3.531,352 6.322,353 3.909,354 2.955,355 3.695,356 0.86,357 9.671,358 2.79,359 3.995,360 3.18,361 6.045,362 3.748,363 2.791,364 3.126,365 0.602,366 8.782,367 2.665,368 3.954,369 3.048,370 6.019,371 3.676,372 2.707,373 3.063,374 0.254,375 8.544,376 2.604,377 3.705,378 2.719,379 5.341,380 3.349,381 2.389,382 2.973,383 0.036,384 6.882,385 2.281,386 3.401,387 2.565,388 4.877,389 2.905,390 1.951,391 2.727,393 5.423,394 1.861,395 3.178,396 2.14,397 4.733,398 2.763,399 1.81,400 2.409,402 5.098,403 1.71,404 3.013,405 1.937,406 4.453,407 2.656,408 1.704,409 2.253,411 4.344,412 1.61,413 2.935,414 1.814,415 4.262,416 2.475,417 1.517,418 1.931,420 4.103,421 1.449,422 2.733,423 1.523,424 4.222,425 2.216,426 1.239,427 1.823,428 3.542,429 1.206,430 2.579,431 1.438,432 3.499,433 2.036,434 1.138,435 1.614,436 2.635,437 1.017,438 2.22,439 1.334,440 3.483,441 2.021,442 1.082,443 1.189,445 2.497,446 1.003,447 2,448 1.256,449 3.278,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.903,457 1.104,458 3.247,459 1.378,460 0.414,461 0.611,463 1.084,464 0.397,465 16.7,466 0.464,467 1.259,468 0.035,469 45.25,470 1.257,471 20.5,472 0.569,473 24.75,474 0.688,475 32.888,476 0.914,477 40.9,478 0.639,479 40.104,480 1.114,481 8.732,482 0.243,483 8.267,484 0.23,485 0.17,486 0.08,487 0.257,493 0.682,494 1.65,495 0.792,496 1.381,497 0.628,498 1.048,499 0.741,500 1.048,501 0.803,502 0.901,503 0.526,504 0.855,505 1.101,506 1.139,507 1.172,508 1.142,509 1.005,510 1.132,511 0.971,512 0.985,513 1.178,514 1.145,515 1.129,516 0.907,517 1.38,518 0.863,519 1,520 0.759,521 1.724,522 0.869,523 0.95,524 1.306,525 1.003,526 1.158,527 0.828,528 1.097,529 1.161,530 0.836,531 0.938,532 0.763,533 1.246,534 0.826,535 0.893,536 1.096,537 0.918,538 1.022,539 1.092,540 1.106,541 10.5,542 0.255,543 4.222,544 3.167,545 1.684,546 1.525,547 0.859,548 0.672,549 0.498,550 0.368,551 21432,552 65741,553 2.01,554 43.8,556 13,557 1,558 2,559 3,561 9,564 1.769,565 1.846,566 3.884,567 0.938,573 115.677,574 1.807,575 4.055,576 4.999,577 5.105,578 5.105,579 5.105,580 3.388,581 4.76,582 5.139,583 4.111,584 2589.72,585 9.006,586 43651.7,591 384,592 1.691,593 5.07,594 0.269,595 0.007,596 0.074,597 0.059,598 0.031,599 0.031,600 0.019,601 0.015,602 0.012,603 0.01,604 0.528,605 0.33,606 0.75,607 1.034,608 200.672,609 0.006,610 -0.31,611 0.177,612 -0.155,613 -0.105,614 -0.028,615 0.182,616 0.108,617 0.119,618 0.114,619 0.201,620 0.103,621 -0.162,622 -0.03,623 -0.155,624 -0.068,625 -0.121,626 -0.151,627 0.024,628 -0.03,629 0.029,630 -0.013,631 0.042,632 0.121,633 -0.098,634 0.085,635 -0.051,636 0.145,637 -0.146,638 0.057,639 -0.099,640 -0.231,641 -0.071,642 -0.16,643 -0.046,644 -0.115,645 -0.072,646 0.149,647 0.017,648 0.118,649 -0.096,650 0.096,651 0.092,652 -0.023,653 -0.062,654 -0.08,655 -0.048,656 -0.153,657 4.671,658 5.681,659 0.583,660 49.046,661 1.021,662 1.142,663 0.706,664 0.499,665 0.65,666 3.689,667 4.06,668 4.234,669 4.5,670 4.663,671 4.727,672 4.913,673 5.017,674 5.124,675 5.257,676 9.09,677 0.628,678 516.65,679 3.689,680 5.263,681 6.094,682 6.991,683 7.84,684 8.738,685 9.596,686 10.494,687 11.359,688 12.257,689 12.5,691 1,696 3,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 64,733 20,735 39,737 67,738 22,739 11,746 4,747 5,751 1,752 3,761 13,762 9,763 1,766 4,769 1,771 4,775 2,781 28,782 12,783 3,784 14,785 1,790 8,794 0.75,795 5,805 2,811 1,812 3,815 1,827 1,839 1,840 3,842 1,844 3,848 36,852 1,854 5,855 3,856 1,859 1,860 1,867 1,870 7.8,873 4,874 1,877 19.5,878 12.25,879 7.583,880 3.586,881 3.365,882 1.41,883 0.959,884 7.686,885 11.568,886 3.951,887 4.572,888 5.047,889 5.639,890 6.15,891 6.532,892 7.056,893 7.481,894 7.831,895 8.275,896 1,897 54,898 13.627,900 6.132,901 8.037,902 24.898,904 20.383,905 2.537,906 91.333,910 294.278,911 123.873,912 106.949,914 105.603,916 5.807,917 118.065,918 399.88,919 106.949,920 26.476,921 54.648,922 59.689,923 185.799,924 27.181,925 17.946,926 258.964,928 294.278,929 225.014,930 105.603,931 5.807,933 188.338,934 200.543,935 11,937 120.402,938 54.379,939 56.042,941 294.278,942 212.552,943 123.873,945 5.807,946 294.278,947 36.019,948 86.335,949 52.426,950 155.837,951 294.278,952 212.552,953 123.873,955 0.597,956 0.318,957 0.169,958 0.088,959 27,960 13,961 0.104,962 7,963 1,964 1.095,965 4.635,966 332.91,967 0.095,968 21,969 175.362,973 1,974 26.137,975 10.586,976 6.853,977 0.463,978 211.388,979 9.443,980 12.577,984 1.31,986 52.426,987 630.702,988 51,991 -3.754,993 49.747,997 -0.808,999 65.363,1000 73.105,1001 0.301,1002 0.676,1003 0.833,1004 0.851,1005 0.851,1006 0.851,1007 5.226,1008 1.81,1009 6.146,1010 5.423,1011 4.745,1012 5.26,1013 2.675,1014 7.002,1015 4.637,1016 6.475,1017 1.704,1018 7.743,1019 5.098,1020 4.635,1021 5.4,1022 2.029,1023 8.238,1024 4.486,1025 7.832,1026 1.517,1027 9.451,1028 4.344,1029 6.46,1030 7.555,1031 3.5,1032 11.216,1033 6.238,1034 9.225,1035 1.239,1036 11.225,1037 4.103,1038 7.099,1039 8.48,1040 3.523,1041 13.229,1042 6.826,1043 10.651,1044 1.138,1045 13.042,1046 3.542,1047 8.494,1048 10.221,1049 4.591,1050 15.844,1051 8.152,1052 12.101,1053 1.082,1054 14.89,1055 2.635,1056 9.445,1057 11.485,1058 4.918,1059 18.158,1060 9.04,1061 13.57,1062 1,1063 16.761,1064 2.497,1065 10.694,1066 13.087,1067 5.799,1068 20.687,1069 10.221,1070 3.464,1071 0.414,1072 18.649,1073 2.136,1074 11.781,1075 14.499,1076 6.284,1077 23.125,1078 11.238,1079 3.062,1080 12.767,1081 20.552,1082 1.084,1083 12.986,1084 16.052,1085 7.07,1086 25.643,1087 12.373,1088 2.955,1089 9.835,1090 22.467,1091 4.714,1092 14.135,1093 17.53,1094 7.64,1095 28.136,1096 13.448,1097 2.791,1098 9.671,1099 24.393,1100 4.449,1101 15.331,1102 19.066,1103 8.377,1104 30.66,1105 14.571,1106 2.707,1107 8.782,1108 26.327,1109 3.695,1110 16.512,1111 20.574,1112 8.995,1113 33.179,1114 15.675,1115 2.389,1116 8.544,1117 28.27,1118 3.126,1119 17.713,1120 22.106,1121 9.706,1122 35.711,1123 16.8,1124 1.951,1125 6.882,1126 30.219,1127 3.063,1128 18.912,1129 23.628,1130 10.353,1131 38.243,1132 17.92,1133 20631,1134 36369,1135 25.137,1136 41.58,1137 59.815,1138 62.223,1139 59.894,1140 59.192,1141 59.221,1142 76.065,1143 10.785,1144 176.45,1145 56.132,1146 5.877,1147 6.691,1148 7.158,1149 5.498,1150 5.464,1151 7.714,1152 3.466,1153 20.458,1154 5.173,1155 21.977,1156 1.534,1157 1.595,1158 1.536,1159 1.518,1160 1.518,1161 1.95,1162 0.277,1163 4.524,1164 1.439,1165 4.142,1166 4.18,1167 4.736,1168 4.071,1169 7.717,1170 4.021,1171 4.019,1172 4.02,1173 4.08,1174 3.886,1175 7.434,1176 3.864,1177 3.832,1178 3.884,1179 3.742,1180 3.603,1181 7.424,1182 3.627,1183 3.721,1184 3.78,1185 3.688,1186 3.57,1187 6.999,1188 3.572,1189 3.592,1190 3.645,1191 3.507,1192 3.408,1193 5.154,1194 3.387,1195 3.5,1196 3.505,1197 3.481,1198 3.299,1199 4.845,1200 3.309,1201 3.324,1202 3.363,1203 3.256,1204 3.106,1205 4.615,1206 3.125,1207 3.126,1208 3.206,1209 3.083,1210 2.941,1211 4.369,1212 2.91,1213 0.125,1214 0.12,1215 0.189,1216 0.113,1217 0.089,1218 4.877,1219 0.121,1220 4.691,1221 0.051,1222 7.356,1223 0.327,1224 4.395,1225 0.082,1226 3.464,1227 4.714,1228 1.988,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.989,1241 1.202,1242 1.996,1243 1.731,1244 1.677,1245 1.931,1246 1.98,1247 1.137,1248 1.971,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.497,1256 1.437,1257 1.674,1258 1.812,1259 0.825,1260 1.768,1261 1.32,1262 1.332,1263 1.513,1264 1.581,1265 0.817,1266 1.544,1267 1.28,1268 1.226,1269 1.417,1270 1.487,1271 0.482,1272 1.523,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.469,1278 1.429,1279 4.369,1281 5.727,1282 2.398,1283 7.252,1284 4.727,1285 8.852,1286 6.823,1287 10.493,1289 5.275,1295 1.801,1296 7.621,1297 5.212,1300 1.628,1301 -0.639,1305 40.2,1306 115.677,1307 259.515,1308 319.961,1309 326.716,1310 326.716,1311 326.716,1312 95.228,1313 8.203,1314 159.92,1315 168.3,1316 23,1317 12.787,1318 4.392,1319 3.7,1320 62.543,1321 198,1322 198,1323 0.153,1324 251.348,1325 433.72,1326 605.05,1327 48574,1329 25.924,1330 0.72,1331 0.583,1332 26.174,1333 21.002,1334 16.999,1335 0.436,1336 0.327,1337 11.149,1338 15.28,1339 10.701,1340 8.889,1341 17.82,1342 12.747,1343 17.074,1344 0.3,1345 0.191,1346 18.361,1347 10.904,1348 12.23,1349 0.18,1350 0.101,1351 13.407,1352 6.843,1353 10.585,1354 0.119,1355 0.055,1356 11.822,1357 4.924,1358 7.874,1359 0.075,1360 0.028,1361 8.587,1362 2.964,1363 0.248,1364 117.042,1365 0.199,1366 33.661,1367 0.396,1368 192,1369 660.762,1370 257.036,1371 644.705,1372 860.15,1373 594,1374 221,1375 598.221,1376 295.865,1377 635.399,1378 922.4,1379 591,1380 6.4}
{0 CHEMBL2057373,1 1.762,2 16.243,3 0.484,4 0.234,5 138.772,6 7.79,7 0.4,8 4.327,9 4.456,10 4.035,11 3.786,12 5.408,13 3.771,14 4.897,15 5.093,16 4.37,17 4.184,18 6.143,19 4.156,20 5.141,21 5.339,22 4.409,23 4.378,24 6.269,25 4.297,26 5.309,27 5.561,28 4.362,29 4.353,30 6.476,31 4.252,32 5.149,33 5.381,34 4.253,35 4.178,36 6.432,37 4.129,38 4.935,39 5.143,40 4.197,41 4.126,42 6.124,43 4.075,44 5.014,45 5.246,46 4.167,47 4.059,48 6.254,49 4.017,50 4.825,51 5.036,52 4.063,53 3.987,54 6.034,55 3.932,56 0.184,57 1.111,58 16.83,59 5.555,60 21.641,61 7.59,62 0.792,63 1.696,64 30.452,65 9.116,66 78.018,67 13.003,68 0.755,69 2.01,70 40.899,71 12.564,72 80.018,73 17.081,74 1.134,75 1.97,76 58.806,77 15.774,78 150.736,79 21.566,80 1.331,81 1.683,82 43.902,83 10.956,84 175.659,85 15.563,86 0.539,87 1.608,88 32.838,89 9.385,90 58.456,91 13.637,92 1.057,93 1.54,94 37.743,95 8.873,96 119.88,97 13.209,98 0.744,99 1.385,100 28.74,101 8.292,102 76.322,103 12.052,104 68,105 59,106 0.276,107 0.618,108 0.778,109 0.812,110 0.812,111 0.812,112 3.642,113 0.994,114 -2.15,115 -2.19,116 -2.17,119 33.8,120 3,124 1,125 5,130 1,142 3,143 2,144 1,145 2,150 1,151 1,158 1,159 1,161 1,166 1,172 4,174 4,175 4,178 6,179 1,180 3,183 6,186 1,187 9,190 3,192 1,195 2,198 4,199 13,202 3,204 2,207 1,211 5,212 5,215 3,217 3,220 3,223 1,224 7,227 1,229 3,232 3,236 7,237 4,240 1,242 4,245 3,249 5,250 1,253 3,255 1,258 3,262 2,263 6,266 1,268 1,271 3,275 2788,276 23.745,277 23.745,278 23.745,279 23.745,280 23.745,281 21.427,282 25.416,283 13.619,284 24.443,285 19.769,286 19.769,287 19.769,288 19.769,289 19.769,290 15.979,291 32.282,292 6.537,293 20.874,294 4.326,295 2.145,296 1.129,297 0.912,298 0.912,299 0.912,300 4.327,306 1272,307 5.099,310 94.68,311 391.714,314 171.746,318 2.723,319 51.901,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.5,328 0.5,329 0.59,330 82.5,331 601,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.988,339 12.767,340 3.217,341 4.512,342 3.737,343 6.365,344 4.017,345 3.062,346 4.449,347 1.653,348 9.835,349 2.939,350 4.128,351 3.531,352 6.322,353 3.909,354 2.955,355 3.695,356 0.8,357 9.671,358 2.79,359 3.996,360 3.18,361 6.045,362 3.771,363 2.818,364 3.131,365 0.602,366 8.782,367 2.683,368 3.965,369 3.048,370 6.027,371 3.677,372 2.708,373 3.064,374 0.254,375 8.576,376 2.605,377 3.708,378 2.764,379 5.341,380 3.364,381 2.406,382 2.974,383 0.036,384 6.884,385 2.292,386 3.407,387 2.719,388 5.023,389 3.199,390 2.262,391 2.728,393 6.023,394 2.111,395 3.337,396 2.146,397 4.877,398 2.89,399 1.928,400 2.419,402 5.412,403 1.852,404 3.172,405 2.133,406 4.726,407 2.698,408 1.748,409 2.344,411 5.076,412 1.652,413 3.012,414 1.814,415 4.452,416 2.478,417 1.519,418 2.251,420 4.343,421 1.452,422 2.734,423 1.523,424 4.228,425 2.357,426 1.381,427 1.825,428 3.629,429 1.332,430 2.58,431 1.438,432 4.106,433 2.213,434 1.234,435 1.615,436 3.512,437 1.203,438 2.564,439 1.334,440 3.498,441 2.024,442 1.084,443 1.52,445 2.498,446 1.015,447 2,448 1.146,449 3.414,450 1.967,451 1,452 1,454 2.275,455 0.965,456 1.903,457 1.104,458 3.278,459 1.409,460 0.437,461 0.611,463 1.086,464 0.418,465 17.267,466 0.467,467 1.365,468 0.037,469 46,470 1.243,471 20.5,472 0.554,473 25.5,474 0.689,475 34.942,476 0.944,477 42.133,478 0.62,479 41.211,480 1.114,481 8.845,482 0.239,483 8.548,484 0.231,485 0.193,486 0.077,487 0.272,493 0.658,494 1.72,495 0.813,496 1.393,497 0.617,498 1.078,499 0.645,500 1.023,501 0.787,502 0.857,503 0.477,504 0.822,505 1.06,506 1.165,507 1.171,508 1.203,509 0.969,510 1.186,511 0.977,512 0.98,513 1.126,514 1.128,515 1.068,516 0.912,517 1.449,518 0.795,519 0.95,520 0.694,521 1.678,522 0.794,523 1.009,524 1.312,525 1.004,526 1.19,527 0.88,528 1.103,529 1.341,530 0.88,531 0.989,532 0.799,533 1.425,534 0.869,535 0.982,536 1.016,537 0.905,538 0.963,539 1.099,540 1.04,541 11.5,542 0.288,543 4.667,544 3.229,545 1.876,546 1.636,547 0.9,548 0.696,549 0.547,550 0.379,551 23197,552 65876,553 1.994,554 45.6,556 16,557 1,558 2,559 3,561 9,564 1.776,565 1.82,566 3.94,567 0.916,573 119.796,574 1.762,575 3.942,576 4.958,577 5.175,578 5.175,579 5.175,580 3.409,581 4.757,582 5.178,583 4.161,584 2771.23,585 9.083,586 47946.8,591 413.947,592 1.731,593 5.103,594 0.287,595 0.008,596 0.079,597 0.058,598 0.034,599 0.033,600 0.019,601 0.015,602 0.013,603 0.009,604 0.556,605 0.33,606 0.75,607 1.041,608 208.395,609 0.027,610 -0.359,611 0.18,612 -0.16,613 -0.101,614 -0.036,615 0.237,616 0.155,617 0.146,618 0.149,619 0.231,620 0.143,621 -0.142,622 -0.033,623 -0.16,624 -0.117,625 -0.099,626 -0.188,627 0.058,628 -0.057,629 0.057,630 -0.014,631 0.064,632 0.113,633 -0.092,634 0.119,635 0.016,636 0.199,637 -0.125,638 0.134,639 -0.105,640 -0.216,641 -0.064,642 -0.179,643 -0.035,644 -0.118,645 -0.096,646 0.101,647 -0.025,648 0.086,649 -0.126,650 0.043,651 0.05,652 0.036,653 -0.025,654 -0.03,655 -0.067,656 -0.081,657 4.669,658 5.698,659 0.568,660 51.623,661 1.015,662 1.144,663 0.921,664 0.848,665 0.645,666 3.714,667 4.094,668 4.263,669 4.522,670 4.7,671 4.779,672 4.927,673 5.03,674 5.147,675 5.268,676 9.38,677 0.618,678 529.7,679 3.714,680 5.293,681 6.125,682 7.024,683 7.873,684 8.772,685 9.63,686 10.528,687 11.393,688 12.291,689 13.2,691 1,692 1,696 3,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 68,733 20,735 40,737 71,738 23,739 11,746 4,747 5,751 1,752 3,761 13,762 10,763 1,766 4,769 1,771 4,775 2,781 31,782 12,783 3,784 14,785 1,790 9,794 0.75,795 4,805 2,811 1,812 3,815 1,827 1,836 1,840 3,842 1,844 4,848 37,852 1,854 5,855 3,859 2,860 1,867 1,870 5.9,873 4,877 20.333,878 13.283,879 7.75,880 3.819,881 3.357,882 1.405,883 0.96,884 7.924,885 11.639,886 3.97,887 4.593,888 5.06,889 5.646,890 6.158,891 6.544,892 7.058,893 7.482,894 7.833,895 8.275,896 0.909,897 56,898 14.004,900 6.274,901 7.982,902 25.777,904 21.165,905 2.482,906 91.833,910 329.591,911 127.296,912 110.073,914 94.603,916 5.807,917 121.488,918 424.194,919 110.073,920 34.872,921 49.674,922 59.689,923 174.799,924 30.305,925 17.946,926 294.278,928 329.591,929 231.561,930 94.603,931 5.807,933 223.651,934 200.543,937 118.552,938 62.775,939 56.042,941 329.591,942 204.676,943 127.296,945 5.807,946 329.591,947 31.045,948 97.856,949 52.426,950 144.837,951 329.591,952 204.676,953 127.296,955 0.601,956 0.319,957 0.166,958 0.088,959 28,960 14,961 0.099,962 7,963 1,964 1.095,965 4.697,966 345.009,967 0.095,968 21,969 181.995,973 1,974 27.109,975 10.815,976 7.094,977 0.471,978 203.512,979 9.485,980 12.624,984 1.338,986 52.426,987 661.563,988 52,991 -3.753,993 49.993,997 -0.738,999 69.021,1000 77.81,1001 0.289,1002 0.648,1003 0.814,1004 0.85,1005 0.85,1006 0.85,1007 5.252,1008 1.928,1009 6.184,1010 6.023,1011 4.779,1012 5.281,1013 2.638,1014 7.04,1015 4.675,1016 6.504,1017 1.748,1018 7.783,1019 5.412,1020 4.691,1021 5.427,1022 2.078,1023 8.266,1024 4.534,1025 7.861,1026 1.519,1027 9.489,1028 5.076,1029 6.497,1030 7.568,1031 3.481,1032 11.237,1033 6.276,1034 9.251,1035 1.381,1036 11.26,1037 4.343,1038 7.14,1039 8.49,1040 3.532,1041 13.24,1042 6.859,1043 10.674,1044 1.234,1045 13.072,1046 3.629,1047 8.524,1048 10.227,1049 4.585,1050 15.853,1051 8.181,1052 12.121,1053 1.084,1054 14.915,1055 3.512,1056 9.472,1057 11.489,1058 4.92,1059 18.162,1060 9.062,1061 13.587,1062 1,1063 16.781,1064 2.498,1065 10.716,1066 13.089,1067 5.798,1068 20.69,1069 10.242,1070 3.464,1071 0.437,1072 18.665,1073 2.275,1074 11.799,1075 14.501,1076 6.284,1077 23.127,1078 11.253,1079 3.062,1080 12.767,1081 20.564,1082 1.086,1083 13.001,1084 16.053,1085 7.069,1086 25.644,1087 12.386,1088 2.955,1089 9.835,1090 22.476,1091 4.714,1092 14.147,1093 17.53,1094 7.64,1095 28.137,1096 13.458,1097 2.818,1098 9.671,1099 24.4,1100 4.449,1101 15.342,1102 19.067,1103 8.376,1104 30.66,1105 14.58,1106 2.708,1107 8.782,1108 26.333,1109 3.695,1110 16.521,1111 20.574,1112 8.995,1113 33.18,1114 15.682,1115 2.406,1116 8.576,1117 28.274,1118 3.131,1119 17.72,1120 22.106,1121 9.706,1122 35.711,1123 16.807,1124 2.262,1125 6.884,1126 30.222,1127 3.064,1128 18.918,1129 23.628,1130 10.353,1131 38.243,1132 17.926,1133 22388,1134 38021,1135 25.542,1136 43.892,1137 61.607,1138 63.546,1139 62.196,1140 60.839,1141 60.829,1142 77.67,1143 10.665,1144 182.698,1145 57.84,1146 5.877,1147 6.691,1148 6.898,1149 5.47,1150 5.464,1151 7.714,1152 3.466,1153 20.458,1154 5.173,1155 24.16,1156 1.54,1157 1.589,1158 1.555,1159 1.521,1160 1.521,1161 1.942,1162 0.267,1163 4.567,1164 1.446,1165 4.142,1166 4.181,1167 4.736,1168 4.071,1169 7.717,1170 4.022,1171 4.019,1172 4.021,1173 4.08,1174 3.886,1175 7.434,1176 3.864,1177 3.866,1178 3.935,1179 3.769,1180 3.649,1181 7.424,1182 3.668,1183 3.723,1184 3.781,1185 3.691,1186 3.575,1187 6.999,1188 3.575,1189 3.613,1190 3.673,1191 3.523,1192 3.41,1193 5.154,1194 3.401,1195 3.507,1196 3.515,1197 3.489,1198 3.331,1199 4.845,1200 3.329,1201 3.363,1202 3.409,1203 3.301,1204 3.129,1205 4.384,1206 3.151,1207 3.184,1208 3.263,1209 3.113,1210 2.941,1211 4.358,1212 2.954,1213 0.122,1214 0.117,1215 0.184,1216 0.11,1217 0.087,1218 4.877,1219 0.118,1220 4.691,1221 0.05,1222 7.356,1223 0.319,1224 4.395,1225 0.08,1226 3.464,1227 4.714,1228 1.988,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.287,1236 2.105,1237 1.826,1238 1.81,1239 1.989,1240 2.026,1241 1.22,1242 2.019,1243 1.785,1244 1.715,1245 1.963,1246 1.98,1247 1.137,1248 1.996,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.521,1256 1.459,1257 1.7,1258 1.83,1259 0.838,1260 1.789,1261 1.335,1262 1.334,1263 1.535,1264 1.621,1265 0.825,1266 1.586,1267 1.299,1268 1.253,1269 1.513,1270 1.487,1271 0.63,1272 1.525,1273 1.153,1274 1.064,1275 1.417,1276 1.436,1277 0.482,1278 1.45,1279 4.394,1281 5.759,1282 2.398,1283 7.287,1284 4.727,1285 8.888,1286 6.823,1287 10.53,1289 7.287,1295 2.742,1296 7.689,1300 3.864,1301 -0.637,1305 42.034,1306 119.796,1307 268.066,1308 337.153,1309 351.908,1310 351.908,1311 351.908,1312 98.659,1313 8.282,1314 153.93,1315 162.31,1316 23,1317 12.821,1318 4.392,1319 3.7,1320 65.299,1321 210,1322 222,1323 0.15,1324 263.739,1325 453.23,1326 635.282,1327 53987,1329 26.794,1330 0.724,1331 0.596,1332 27.044,1333 22.041,1334 17.393,1335 0.435,1336 0.331,1337 11.654,1338 15.707,1339 11.129,1340 9.297,1341 18.214,1342 13.249,1343 17.696,1344 0.3,1345 0.197,1346 18.983,1347 11.595,1348 12.641,1349 0.181,1350 0.105,1351 13.818,1352 7.335,1353 10.737,1354 0.118,1355 0.057,1356 11.974,1357 5.168,1358 8.086,1359 0.074,1360 0.03,1361 8.799,1362 3.248,1363 0.245,1364 119.102,1365 0.198,1366 34.463,1367 0.387,1368 198,1369 642.672,1370 261.906,1371 635.345,1372 850.59,1373 584,1374 228,1375 597.345,1376 302.317,1377 638.228,1378 923.97,1379 592,1380 6.1}
{0 CHEMBL2057830,1 1.847,2 11.222,3 3.818,4 14.574,5 100.405,6 9.754,7 0.4,8 3.832,9 3.906,10 3.641,11 3.436,12 5.194,13 3.441,14 4.238,15 4.318,16 4.085,17 3.806,18 5.643,19 3.81,20 4.485,21 4.602,22 4.13,23 3.903,24 5.965,25 3.886,26 4.532,27 4.694,28 4.053,29 3.828,30 5.944,31 3.782,32 4.356,33 4.529,34 3.85,35 3.678,36 5.69,37 3.65,38 4.26,39 4.398,40 3.863,41 3.592,42 5.71,43 3.615,44 4.266,45 4.407,46 3.836,47 3.557,48 5.883,49 3.565,50 4.168,51 4.31,52 3.627,53 3.418,54 5.805,55 3.382,56 0.222,57 0.586,58 4.701,59 3.279,60 31.666,61 2.663,62 0.275,63 0.93,64 7.456,65 4.852,66 29.444,67 4.554,68 0.521,69 1.106,70 11.524,71 6.847,72 70.11,73 6.299,74 0.668,75 1.175,76 20.079,77 7.775,78 99.194,79 6.975,80 0.474,81 0.995,82 17.417,83 6.524,84 61.666,85 6.37,86 0.441,87 0.92,88 11.316,89 4.742,90 58.472,91 3.718,92 0.568,93 0.894,94 11.337,95 4.895,96 83.194,97 4.305,98 0.611,99 0.762,100 12.743,101 5.128,102 94.666,103 4.474,104 26,105 44,106 0.323,107 0.655,108 0.741,109 0.832,110 0.878,111 0.887,112 3.34,113 0.855,114 -3.57,115 -3.54,116 -3.38,119 46.2,135 1,136 1,142 7,143 2,144 3,158 3,159 1,166 1,172 9,174 2,175 7,178 1,180 5,183 10,186 1,187 7,190 1,191 1,192 7,195 8,198 1,199 10,202 2,204 6,207 4,211 1,212 11,217 5,220 2,224 8,227 1,229 5,232 4,237 3,240 4,241 1,242 2,245 7,250 2,253 5,254 1,258 7,266 1,267 1,268 2,271 7,275 1050,276 17.894,277 17.894,278 17.894,279 17.894,280 17.894,281 15.571,282 14.995,283 10.177,284 18.327,285 14.761,286 14.761,287 14.761,288 14.761,289 14.761,290 11.12,291 13.056,292 4.857,293 15.563,294 3.438,295 1.536,296 1.043,297 0.52,298 0.256,299 0.205,300 4.032,303 1,304 1,305 1,306 659,307 2.55,310 59.499,311 242.716,314 108.334,318 1.934,319 42.76,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 60,331 303,332 4.546,333 4.729,334 6.784,335 4.183,336 3.247,337 4.015,338 3.892,339 11.1,340 3.068,341 4.261,342 3.675,343 6.214,344 3.838,345 2.877,346 3.87,347 1.313,348 9.27,349 2.751,350 4.164,351 3.274,352 5.957,353 3.747,354 2.783,355 3.717,356 0.9,357 8.359,358 2.678,359 3.843,360 3.04,361 5.834,362 3.423,363 2.468,364 3.231,365 0.598,366 7.85,367 2.336,368 3.583,369 2.918,370 5.184,371 3.159,372 2.208,373 2.904,375 6.257,376 2.094,377 3.452,378 2.644,379 5.168,380 3.063,381 2.078,382 2.641,384 6.073,385 2.026,386 3.39,387 2.309,388 5.025,389 2.897,390 1.98,391 2.608,393 5.936,394 1.798,395 2.829,396 1.99,397 4.252,398 2.371,399 1.414,400 1.949,402 3.713,403 1.346,404 2.82,405 1.755,406 4.044,407 2.185,408 1.276,409 1.84,411 3.525,412 1.145,413 2.5,414 1.71,415 3.907,416 2,417 1,418 1.5,420 2.563,421 1,422 2.416,423 1.168,424 3.433,425 1.831,426 0.893,427 1.155,428 2.275,429 0.812,430 1.96,431 1,432 3.414,433 1.463,434 0.522,435 0.699,436 1.36,437 0.486,438 1.421,439 0.9,440 2.821,441 1.035,442 0.114,443 0.141,445 0.254,446 0.103,447 1.226,448 0.529,449 2.595,450 0.738,451 -0.18,452 -0.222,454 -0.408,455 -0.162,456 1.114,457 0.393,458 2.528,459 0.569,460 -0.369,461 -0.507,463 -0.986,464 -0.339,465 12.767,466 0.473,467 0.839,468 0.031,469 38.5,470 1.426,471 21,472 0.778,473 17.5,474 0.648,475 18.622,476 0.69,477 27.433,478 0.703,479 30.448,480 1.128,481 7.756,482 0.287,483 5.163,484 0.191,485 0.136,487 0.423,493 0.947,494 0.88,495 0.705,496 0.686,497 0.954,498 0.65,499 0.587,500 1.206,501 0.675,502 1.072,503 0.59,504 0.891,505 0.886,506 1.159,507 0.851,508 1.008,509 0.837,510 1.029,511 1.058,512 1.068,513 1.203,514 1.073,515 1.065,516 1.007,517 0.906,518 1.121,519 1.103,520 1.012,521 0.811,522 0.887,523 1.147,524 1.198,525 0.977,526 0.95,527 1.137,528 0.895,529 0.931,530 1.004,531 0.986,532 0.914,533 1.028,534 0.949,535 1.017,536 0.814,537 1.315,538 1.043,539 1.191,540 1.107,541 6.5,542 0.078,543 3.778,544 2.069,545 2.081,546 1.039,547 0.745,548 0.598,549 0.287,550 0.203,551 8877,552 31843,553 2.075,554 30.8,556 8,559 4,564 1.7,565 1.906,566 3.44,567 1.771,569 1,573 72.052,574 1.847,575 3.749,576 4.243,577 4.766,578 5.029,579 5.08,580 2.936,581 4.357,582 4.722,583 3.58,584 1256.42,585 8.198,586 15814.4,588 1,590 1,591 206.131,592 1.506,593 4.668,594 0.217,595 0.005,596 0.086,597 0.046,598 0.055,599 0.03,600 0.021,601 0.018,602 0.011,603 0.011,604 0.5,605 0.33,606 1,607 0.627,608 133.37,609 -0.176,610 0.151,611 -0.021,612 0.195,613 -0.229,614 0.13,615 0.083,616 -0.155,617 0.101,618 -0.145,619 0.021,620 -0.083,621 -0.012,622 -0.17,623 0.002,624 -0.077,625 0.014,626 -0.132,627 -0.105,628 -0.039,629 -0.029,630 0.009,631 -0.094,632 0.006,633 -0.089,634 -0.088,635 -0.008,636 0.018,637 0.001,638 0.137,639 -0.224,640 -0.095,641 -0.12,642 -0.076,643 -0.173,644 -0.054,645 0.091,646 0.072,647 -0.084,648 -0.017,649 0.069,650 -0.079,651 0.144,652 0.197,653 -0.221,654 -0.012,655 0.086,656 -0.153,657 2.256,658 5.359,659 0.778,660 26.173,661 1.034,662 1.113,663 2.338,664 5.465,665 0.732,666 3.434,667 3.807,668 4.094,669 4.357,670 4.625,671 4.745,672 4.868,673 5.056,674 5.165,675 5.198,676 6.389,677 0.724,678 380.41,679 3.434,680 5.004,681 5.872,682 6.767,683 7.654,684 8.553,685 9.448,686 10.351,687 11.251,688 12.156,689 10.3,692 1,698 3,704 7,709 5,711 12,728 3,731 39,733 17,734 2,735 30,737 42,738 18,739 12,740 5,741 7,742 6,746 4,747 5,761 18,766 5,770 1,771 1,773 1,774 2,775 5,778 1,781 12,782 8,783 4,784 9,785 1,790 4,791 1,794 0.75,795 4,811 1,812 3,815 1,831 1,832 1,840 3,841 1,842 1,848 27,853 3,857 1,859 1,870 10.3,872 3,873 1,877 14.167,878 6.95,879 5.75,880 2.044,881 3.364,882 1.438,883 0.953,884 4.318,885 11.048,886 3.738,887 4.357,888 4.931,889 5.456,890 5.989,891 6.283,892 6.629,893 7.038,894 7.431,895 7.693,896 0.875,897 45,898 9.965,900 4.48,901 8.185,902 18.053,904 14.955,905 2.685,906 72.5,910 94.169,911 126.434,912 68.122,914 153.195,916 32.22,917 94.214,918 247.364,919 68.122,922 75.81,923 161.349,924 77.679,925 0.693,926 126.388,928 94.169,929 162.337,930 153.195,931 32.22,933 94.169,934 153.195,937 68.122,938 84.738,939 9.476,940 32.22,941 94.169,942 221.317,943 126.434,946 94.169,947 50.624,948 78.812,950 218.315,951 94.169,952 221.317,953 126.434,955 0.6,956 0.353,957 0.179,958 0.102,959 23,960 11,961 0.048,962 2,963 1,964 1.095,965 3.829,966 238.523,967 0.095,968 21,969 124.382,970 1,974 17.49,975 6.666,976 3.26,978 221.317,979 10.494,984 0.688,986 159.722,987 441.92,988 41,992 8.32,993 12.359,995 1.406,996 8.33,997 0.112,999 40.327,1000 43.412,1001 0.35,1002 0.709,1003 0.803,1004 0.902,1005 0.951,1006 0.961,1007 5.004,1008 1.414,1009 5.889,1010 5.936,1011 4.489,1012 5.043,1013 3.578,1014 6.73,1015 4.387,1016 6.243,1017 1.276,1018 7.475,1019 3.713,1020 4.205,1021 4.902,1022 1.998,1023 7.659,1024 4.039,1025 7.571,1026 1,1027 9.155,1028 3.525,1029 6.125,1030 7.221,1031 6.08,1032 10.762,1033 5.931,1034 8.928,1035 0.893,1036 10.886,1037 2.563,1038 6.608,1039 7.819,1040 4.966,1041 12.481,1042 6.341,1043 10.312,1044 0.522,1045 12.651,1046 2.275,1047 8.038,1048 9.64,1049 8.751,1050 15.122,1051 7.745,1052 11.715,1053 0.114,1054 14.439,1055 1.36,1056 8.868,1057 10.587,1058 7.972,1059 17.193,1060 8.501,1061 13.132,1062 -0.18,1063 16.245,1064 0.254,1065 10.112,1066 12.189,1067 11.437,1068 19.671,1069 9.714,1070 3.247,1071 -0.369,1072 18.064,1073 -0.408,1074 11.108,1075 13.32,1076 10.908,1077 21.909,1078 10.638,1079 2.877,1080 11.1,1081 19.894,1082 -0.986,1083 12.283,1084 14.812,1085 14.125,1086 24.329,1087 11.773,1088 2.783,1089 9.27,1090 21.734,1091 4.015,1092 13.359,1093 16.045,1094 13.794,1095 26.648,1096 12.781,1097 2.468,1098 8.359,1099 23.582,1100 3.87,1101 14.512,1102 17.48,1103 16.815,1104 29.048,1105 13.886,1106 2.208,1107 7.85,1108 25.436,1109 3.717,1110 15.627,1111 18.77,1112 16.647,1113 31.408,1114 14.937,1115 2.078,1116 6.257,1117 27.297,1118 3.231,1119 16.776,1120 20.175,1121 19.506,1122 33.804,1123 16.033,1124 1.98,1125 6.073,1126 29.164,1127 2.904,1128 17.912,1129 21.498,1130 19.476,1131 36.184,1132 17.108,1133 8466,1134 16172,1135 19.709,1136 28.534,1137 46.835,1138 49.484,1139 48.028,1140 45.777,1141 45.718,1142 60.54,1143 13.406,1144 137.07,1145 43.287,1146 5.49,1147 6.729,1148 6.198,1149 5.322,1150 5.247,1151 7.015,1152 7.653,1153 18.633,1154 5.068,1155 14.969,1156 1.561,1157 1.649,1158 1.601,1159 1.526,1160 1.524,1161 2.018,1162 0.447,1163 4.569,1164 1.443,1165 4.001,1166 4.025,1167 4.117,1168 3.918,1169 7.431,1170 3.917,1171 3.906,1172 3.923,1173 3.883,1174 3.846,1175 6.53,1176 3.842,1177 3.768,1178 3.797,1179 3.769,1180 3.628,1181 6.471,1182 3.641,1183 3.36,1184 3.378,1185 3.513,1186 3.29,1187 6.402,1188 3.254,1189 3.079,1190 3.123,1191 3.064,1192 2.854,1193 5.821,1194 2.887,1195 3.011,1196 3.05,1197 2.964,1198 2.746,1199 4.8,1200 2.788,1201 2.925,1202 2.967,1203 2.82,1204 2.739,1205 4.569,1206 2.747,1207 2.854,1208 2.925,1209 2.788,1210 2.735,1211 4.498,1212 2.715,1213 0.152,1214 0.158,1215 0.226,1216 0.139,1217 0.108,1218 4.546,1219 0.134,1220 4.729,1221 0.13,1222 6.784,1223 0.37,1224 4.183,1225 0.102,1226 3.247,1227 4.015,1228 3.892,1229 11.1,1230 3.068,1231 1.917,1232 1.901,1233 1.998,1234 2.017,1235 1.098,1236 2.008,1237 1.888,1238 1.868,1239 1.982,1240 1.972,1241 1.074,1242 1.978,1243 1.646,1244 1.621,1245 1.688,1246 1.839,1247 0.726,1248 1.798,1249 1.174,1250 1.164,1251 1.205,1252 1.375,1253 0.315,1254 1.334,1255 1.073,1256 1.037,1257 1.181,1258 1.266,1259 0.218,1260 1.248,1261 0.886,1262 0.839,1263 1.147,1264 1.176,1265 0.213,1266 1.131,1267 0.883,1268 0.821,1269 1.118,1270 1.134,1271 0.134,1272 1.128,1273 0.844,1274 0.79,1275 0.984,1276 1.062,1278 1.107,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.727,1285 8.644,1286 6.862,1287 10.321,1294 28.372,1298 1.156,1300 1.264,1305 28.239,1306 72.052,1307 146.215,1308 165.46,1309 185.866,1310 196.131,1311 198.131,1312 57.877,1313 7.684,1314 131.8,1315 160.04,1316 23,1317 12.676,1318 4.17,1319 3.585,1320 40.25,1321 104,1322 109,1323 0.194,1324 175.951,1325 317.35,1326 421.08,1327 22046,1329 19.129,1330 0.708,1331 0.535,1332 19.483,1333 14.435,1334 12.919,1335 0.431,1336 0.285,1337 7.691,1338 11.994,1339 7.502,1340 6.181,1341 13.327,1342 8.554,1343 12.281,1344 0.279,1345 0.152,1346 12.923,1347 6.676,1348 10.582,1349 0.179,1350 0.082,1351 11.369,1352 4.837,1353 8.452,1354 0.11,1355 0.044,1356 9.427,1357 3.406,1358 7.004,1359 0.069,1360 0.023,1361 7.854,1362 2.332,1363 0.303,1364 85.547,1365 0.225,1366 25.833,1367 0.538,1368 148,1369 502.313,1370 191.81,1371 509.634,1372 688.26,1373 470,1374 177,1375 495.284,1376 218.017,1377 515.513,1378 759.55,1379 484,1380 6.523}
{0 CHEMBL2057831,1 1.791,2 12,3 3.871,4 14.982,5 111.563,6 9.915,7 0.353,8 3.909,9 3.978,10 3.747,11 3.553,12 5.231,13 3.558,14 4.354,15 4.43,16 4.19,17 3.931,18 5.714,19 3.938,20 4.583,21 4.696,22 4.257,23 4.031,24 5.984,25 4.026,26 4.623,27 4.759,28 4.206,29 3.95,30 6.088,31 3.93,32 4.448,33 4.59,34 3.995,35 3.799,36 5.82,37 3.791,38 4.381,39 4.5,40 4.035,41 3.701,42 6.053,43 3.729,44 4.308,45 4.438,46 3.922,47 3.69,48 5.767,49 3.695,50 4.264,51 4.394,52 3.87,53 3.597,54 5.73,55 3.598,56 0.177,57 0.603,58 4.089,59 3.341,60 20.216,61 2.851,62 0.307,63 0.981,64 7.68,65 5.226,66 27.592,67 4.655,68 0.445,69 1.182,70 11.93,71 7.363,72 47.265,73 6.811,74 0.77,75 1.267,76 19.554,77 8.279,78 99.117,79 6.74,80 0.489,81 1.068,82 16.171,83 6.883,84 61.536,85 5.958,86 0.743,87 1,88 12.034,89 5.361,90 96.037,91 4.437,92 0.446,93 0.925,94 10.895,95 5.329,96 48.894,97 4.664,98 0.412,99 0.875,100 12.031,101 5.502,102 53.929,103 4.404,104 17,105 50,106 0.304,107 0.653,108 0.773,109 0.854,110 0.884,111 0.884,112 3.441,113 0.85,114 -4.11,115 -4.06,116 -3.84,119 50,135 1,136 2,137 1,142 8,143 2,144 2,157 1,158 3,159 1,166 1,172 10,174 2,175 12,178 1,180 3,183 11,186 1,187 12,190 1,192 3,195 8,198 2,199 15,202 2,204 3,207 7,211 1,212 6,217 1,220 6,223 6,224 6,227 3,229 4,232 7,236 2,237 6,240 1,242 3,245 6,250 11,253 1,255 2,258 5,263 7,267 1,268 2,271 4,275 1430,276 20.309,277 20.309,278 20.309,279 20.309,280 20.309,281 17.749,282 18.759,283 11.622,284 20.761,285 16.749,286 16.749,287 16.749,288 16.749,289 16.749,290 12.649,291 19.034,292 5.52,293 17.534,294 3.601,295 1.553,296 0.845,297 0.369,298 0.19,299 0.19,300 4.149,304 1,305 1,306 805,307 2.646,310 63.235,311 319.784,314 114.006,315 130.167,318 2,319 45.063,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 66,331 360,332 4.564,333 4.729,334 6.791,335 4.202,336 3.255,337 4.078,338 3.892,339 11.124,340 3.147,341 4.44,342 3.69,343 6.622,344 4.082,345 3.1,346 3.948,347 1.313,348 10.493,349 3.007,350 4.207,351 3.625,352 6.209,353 3.794,354 2.831,355 3.747,356 0.9,357 9.243,358 2.717,359 3.88,360 3.272,361 5.86,362 3.45,363 2.488,364 3.294,365 0.86,366 8.003,367 2.38,368 3.71,369 2.919,370 5.619,371 3.279,372 2.299,373 3.071,374 0.598,375 7.2,376 2.241,377 3.503,378 2.819,379 5.184,380 3.11,381 2.147,382 2.756,384 6.077,385 2.047,386 3.45,387 2.643,388 5.026,389 2.923,390 1.998,391 2.613,393 5.954,394 1.832,395 3.133,396 2.235,397 4.719,398 2.693,399 1.747,400 2.26,402 4.872,403 1.637,404 2.897,405 1.997,406 4.253,407 2.422,408 1.433,409 2.058,411 3.717,412 1.412,413 2.828,414 1.806,415 3.926,416 2.185,417 1.274,418 1.839,420 3.085,421 1.145,422 2.5,423 1.592,424 3.687,425 2,426 1,427 1.5,428 2.576,429 1,430 2.477,431 1.32,432 3.533,433 1.906,434 0.91,435 1.31,436 2.275,437 0.892,438 2.401,439 1.187,440 3.414,441 1.824,442 0.874,443 1.157,445 2.081,446 0.809,447 1.964,448 1,449 3.386,450 1.504,451 0.57,452 0.729,454 1.492,455 0.526,456 1.497,457 0.967,458 2.929,459 1.032,460 0.054,461 0.073,463 0.135,464 0.052,465 14.267,466 0.476,467 0.836,468 0.028,469 43.25,470 1.442,471 23.5,472 0.783,473 19.75,474 0.658,475 21.328,476 0.711,477 29.533,478 0.703,479 34.97,480 1.166,481 8.717,482 0.291,483 5.791,484 0.193,485 0.098,487 0.414,493 0.775,494 0.914,495 0.64,496 0.756,497 0.732,498 0.687,499 0.697,500 1.128,501 0.701,502 1.026,503 0.608,504 0.867,505 0.974,506 1.126,507 0.8,508 0.997,509 0.855,510 0.958,511 1.199,512 1.033,513 1.222,514 1.05,515 1.219,516 0.974,517 1.13,518 1.166,519 1.185,520 1.088,521 1.104,522 0.965,523 0.777,524 0.973,525 0.893,526 0.873,527 0.934,528 0.878,529 0.991,530 1.073,531 0.94,532 0.934,533 1.091,534 0.914,535 1.151,536 1.205,537 1.085,538 1.204,539 1.367,540 1.075,541 6,542 0.11,543 4.222,544 2.382,545 2.294,546 1.24,547 0.785,548 0.651,549 0.339,550 0.26,551 12425,552 40913,553 2.145,554 28.6,556 9,557 1,559 2,564 1.728,565 2,566 3.527,567 0.276,569 1,573 75.219,574 1.791,575 3.839,576 4.547,577 5.023,578 5.202,579 5.202,580 3.057,581 4.707,582 4.876,583 3.676,584 1599.12,585 8.505,586 21644.7,588 1,590 1,591 226.477,592 1.429,593 4.837,594 0.176,595 0.005,596 0.084,597 0.045,598 0.05,599 0.03,600 0.019,601 0.017,602 0.01,603 0.01,604 0.448,605 0.5,606 0.88,607 0.551,608 153.387,609 -0.08,610 0.07,611 0.018,612 0.084,613 -0.136,614 0.063,615 0.049,616 -0.128,617 0.072,618 -0.132,619 -0.004,620 -0.085,621 -0.077,622 -0.158,623 0.064,624 -0.073,625 -0.016,626 -0.057,627 -0.077,628 0.004,629 -0.062,630 0.025,631 -0.072,632 0.001,633 -0.164,634 -0.127,635 -0.12,636 -0.073,637 -0.094,638 0.004,639 0.382,640 0.127,641 -0.007,642 0.015,643 0.281,644 -0.045,645 -0.029,646 -0.024,647 -0.039,648 -0.019,649 -0.07,650 -0.019,651 -0.121,652 -0.174,653 -0.048,654 -0.206,655 -0.155,656 -0.139,657 2.298,658 5.72,659 0.833,660 29.889,661 1.032,662 1.105,663 2.879,664 8.291,665 0.751,666 3.555,667 3.932,668 4.263,669 4.554,670 4.828,671 4.956,672 5.088,673 5.288,674 5.434,675 5.485,676 6.809,677 0.744,678 416.44,679 3.555,680 5.13,681 6.014,682 6.917,683 7.816,684 8.723,685 9.627,686 10.537,687 11.445,688 12.357,689 9.5,692 1,698 3,704 8,709 4,711 12,716 1,728 1,729 1,731 42,733 19,734 2,735 34,737 46,738 21,739 12,740 4,741 8,742 9,746 5,747 7,761 21,766 7,770 1,771 2,773 2,774 2,775 7,778 1,781 12,782 8,783 2,784 9,785 1,790 4,791 1,794 0.6,795 4,811 1,812 4,815 1,816 1,831 1,832 2,840 3,841 1,842 1,848 30,853 1,856 1,857 1,859 1,870 9.5,872 1,873 2,875 1,877 15,878 7.8,879 6.389,880 2.347,881 3.978,882 1.479,883 1.018,884 4.389,885 12.283,886 3.871,887 4.477,888 5.081,889 5.618,890 6.135,891 6.438,892 6.783,893 7.199,894 7.612,895 7.907,896 1,897 53,898 11.116,900 5.042,901 8.056,902 20.338,904 17.059,905 2.556,906 76.667,909 1,910 117.711,911 161.007,912 68.122,914 103.973,916 32.22,917 128.787,918 221.684,919 68.122,921 11.534,922 85.286,923 106.261,924 97.108,925 12.464,926 138.159,928 117.711,929 196.909,930 103.973,931 32.22,933 117.711,934 103.973,937 68.122,938 119.311,939 9.476,940 32.22,941 117.711,942 172.095,943 161.007,946 117.711,947 64.186,948 99.822,950 169.094,951 117.711,952 172.095,953 161.007,955 0.597,956 0.361,957 0.194,958 0.108,959 27,960 12,961 0.043,962 2,963 2,964 1.16,965 4.116,966 285.08,967 0.16,968 25,969 143.207,970 1,974 18.554,975 7.097,976 3.2,978 172.095,979 13.218,984 1.667,986 74.355,987 450.813,988 47,992 8.436,993 25.281,995 2.573,996 8.389,997 -0.225,999 43.327,1000 46.412,1001 0.332,1002 0.712,1003 0.843,1004 0.932,1005 0.965,1006 0.965,1007 5.142,1008 1.747,1009 6.023,1010 5.954,1011 4.615,1012 5.165,1013 3.618,1014 6.884,1015 4.531,1016 6.374,1017 1.433,1018 7.617,1019 4.872,1020 4.29,1021 4.977,1022 1.998,1023 7.856,1024 4.177,1025 7.702,1026 1.274,1027 9.309,1028 3.717,1029 6.263,1030 7.333,1031 6.083,1032 10.986,1033 6.109,1034 9.062,1035 1,1036 11.057,1037 3.085,1038 6.746,1039 7.928,1040 4.966,1041 12.76,1042 6.565,1043 10.451,1044 0.91,1045 12.84,1046 2.576,1047 8.203,1048 9.758,1049 8.751,1050 15.414,1051 7.987,1052 11.862,1053 0.874,1054 14.648,1055 2.275,1056 9.049,1057 10.722,1058 7.972,1059 17.522,1060 8.803,1061 13.288,1062 0.57,1063 16.473,1064 2.081,1065 10.311,1066 12.325,1067 11.437,1068 20.008,1069 10.033,1070 3.255,1071 0.054,1072 18.311,1073 1.492,1074 11.325,1075 13.481,1076 10.908,1077 22.263,1078 11.015,1079 3.1,1080 11.124,1081 20.159,1082 0.135,1083 12.513,1084 14.974,1085 14.125,1086 24.686,1087 12.172,1088 2.831,1089 10.493,1090 22.015,1091 4.078,1092 13.603,1093 16.232,1094 13.794,1095 27.01,1096 13.23,1097 2.488,1098 9.243,1099 23.879,1100 3.948,1101 14.765,1102 17.672,1103 16.815,1104 29.409,1105 14.361,1106 2.299,1107 8.003,1108 25.747,1109 3.747,1110 15.891,1111 18.985,1112 16.647,1113 31.765,1114 15.454,1115 2.147,1116 7.2,1117 27.621,1118 3.294,1119 17.046,1120 20.398,1121 19.506,1122 34.157,1123 16.578,1124 1.998,1125 6.077,1126 29.498,1127 3.071,1128 18.189,1129 21.743,1130 19.476,1131 36.53,1132 17.688,1133 11460,1134 20980,1135 22.887,1136 31.534,1137 53.429,1138 56.954,1139 54.102,1140 52.046,1141 51.96,1142 68.866,1143 15.126,1144 156.651,1145 49.687,1146 5.508,1147 6.729,1148 6.475,1149 5.342,1150 5.255,1151 7.078,1152 7.653,1153 18.66,1154 5.147,1155 14.054,1156 1.571,1157 1.675,1158 1.591,1159 1.531,1160 1.528,1161 2.025,1162 0.445,1163 4.607,1164 1.461,1165 4.021,1166 4.038,1167 4.119,1168 3.933,1169 7.433,1170 3.938,1171 3.934,1172 3.953,1173 3.944,1174 3.867,1175 7.426,1176 3.861,1177 3.811,1178 3.84,1179 3.785,1180 3.696,1181 6.471,1182 3.707,1183 3.525,1184 3.552,1185 3.593,1186 3.436,1187 5.821,1188 3.42,1189 3.28,1190 3.292,1191 3.338,1192 3.168,1193 4.885,1194 3.158,1195 3.06,1196 3.12,1197 3.058,1198 2.805,1199 4.794,1200 2.831,1201 2.975,1202 2.995,1203 2.903,1204 2.776,1205 4.515,1206 2.8,1207 2.905,1208 2.934,1209 2.847,1210 2.735,1211 4.434,1212 2.734,1213 0.134,1214 0.139,1215 0.2,1216 0.124,1217 0.096,1218 4.564,1219 0.12,1220 4.729,1221 0.114,1222 6.791,1223 0.327,1224 4.202,1225 0.093,1226 3.255,1227 4.078,1228 3.892,1229 11.124,1230 3.147,1231 1.946,1232 1.935,1233 2.026,1234 2.048,1235 1.117,1236 2.037,1237 1.888,1238 1.869,1239 1.983,1240 1.975,1241 1.074,1242 1.979,1243 1.738,1244 1.713,1245 1.803,1246 1.892,1247 0.884,1248 1.864,1249 1.412,1250 1.386,1251 1.491,1252 1.588,1253 0.502,1254 1.57,1255 1.173,1256 1.161,1257 1.181,1258 1.362,1259 0.305,1260 1.327,1261 0.946,1262 0.913,1263 1.172,1264 1.185,1265 0.218,1266 1.135,1267 0.903,1268 0.864,1269 1.157,1270 1.131,1271 0.203,1272 1.126,1273 0.886,1274 0.821,1275 1.027,1276 1.098,1277 0.121,1278 1.107,1279 4.234,1281 5.595,1282 2.398,1283 7.155,1284 4.727,1285 8.808,1286 6.862,1287 10.507,1294 9.446,1297 5.479,1298 1.15,1300 1.253,1305 31.239,1306 75.219,1307 161.258,1308 190.968,1309 210.968,1310 218.477,1311 218.477,1312 60.426,1313 8.305,1314 121.55,1315 149.79,1316 29,1317 12.872,1318 4.322,1319 3.807,1320 41.659,1321 122,1322 135,1323 0.167,1324 191.48,1325 351.61,1326 458.97,1327 50141,1329 20.828,1330 0.694,1331 0.534,1332 21.181,1333 16.012,1334 14.508,1335 0.427,1336 0.283,1337 8.752,1338 13.528,1339 8.55,1340 7.031,1341 14.916,1342 9.629,1343 13.552,1344 0.271,1345 0.149,1346 14.194,1347 7.444,1348 12.139,1349 0.173,1350 0.079,1351 12.927,1352 5.533,1353 10.204,1354 0.109,1355 0.042,1356 11.179,1357 3.957,1358 8.473,1359 0.068,1360 0.022,1361 9.322,1362 2.721,1363 0.261,1364 95.414,1365 0.209,1366 28.216,1367 0.46,1368 168,1369 565.485,1370 213.25,1371 566.187,1372 773.44,1373 526,1374 204,1375 563.224,1376 247.232,1377 582.49,1378 863.81,1379 548,1380 4.991}
{0 CHEMBL2057832,1 1.82,2 10.852,3 4.121,4 16.983,5 106.665,6 10.354,7 0.567,8 3.784,9 3.849,10 3.667,11 3.486,12 5.087,13 3.461,14 4.229,15 4.309,16 4.151,17 3.872,18 5.64,19 3.825,20 4.44,21 4.569,22 4.143,23 3.949,24 5.783,25 3.898,26 4.437,27 4.573,28 4.116,29 3.892,30 5.826,31 3.823,32 4.351,33 4.468,34 4.042,35 3.851,36 5.749,37 3.747,38 4.208,39 4.314,40 3.991,41 3.732,42 5.644,43 3.641,44 4.121,45 4.207,46 4.013,47 3.589,48 5.854,49 3.528,50 3.939,51 4.06,52 3.551,53 3.444,54 5.279,55 3.359,56 0.109,57 0.488,58 2.997,59 2.832,60 14.3,61 2.597,62 0.277,63 0.832,64 8.665,65 5.017,66 36.083,67 4.231,68 0.321,69 1.05,70 12.106,71 6.73,72 34.826,73 6.102,74 0.414,75 1.044,76 13.444,77 7.087,78 62.432,79 5.957,80 0.449,81 0.995,82 18.912,83 7.893,84 53.48,85 6.443,86 0.344,87 0.829,88 12.352,89 6.23,90 52.227,91 5.115,92 0.425,93 0.753,94 16.963,95 6.79,96 90.841,97 5.161,98 0.206,99 0.64,100 11.142,101 4.88,102 25.505,103 3.964,104 18,105 43,106 0.317,107 0.624,108 0.764,109 0.865,110 0.887,111 0.905,112 3.34,113 0.908,114 -3.21,115 -3.2,116 -3.07,119 50,135 1,138 1,142 8,143 1,144 1,145 1,146 3,158 2,159 1,167 1,170 1,172 7,173 1,174 1,175 7,178 1,180 1,183 7,184 2,186 1,187 12,192 2,195 3,196 1,199 7,200 1,204 1,207 3,208 1,211 3,212 4,215 1,217 1,220 6,223 2,224 1,225 1,232 5,233 1,236 1,237 5,240 1,242 1,245 3,246 1,250 9,255 1,258 1,263 5,264 1,271 2,275 1072,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.639,282 11.62,283 10.552,284 18.621,285 14.801,286 14.801,287 14.801,288 14.801,289 14.801,290 10.885,291 12.394,292 4.997,293 15.608,294 3.428,295 1.664,296 0.862,297 0.283,298 0.158,299 0.053,300 4.036,304 1,305 1,306 639,307 2.915,310 70.58,311 232.525,315 123.503,318 1.72,319 35.251,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 58.5,331 293,332 4.499,333 4.912,334 6.863,335 4.162,336 3.24,337 4.344,338 4.506,339 11.345,340 3.002,341 4.397,342 3.688,343 6.186,344 3.887,345 2.924,346 3.927,347 1.437,348 9.241,349 2.816,350 4.141,351 3.581,352 5.979,353 3.75,354 2.76,355 3.639,356 1.192,357 8.454,358 2.714,359 3.793,360 3.355,361 5.719,362 3.372,363 2.408,364 3.168,365 0.553,366 7.613,367 2.314,368 3.504,369 2.915,370 5.202,371 3.083,372 2.113,373 2.827,375 6.355,376 2.046,377 3.298,378 2.577,379 4.945,380 2.705,381 1.826,382 2.462,384 5.235,385 1.586,386 3.118,387 2.244,388 4.482,389 2.572,390 1.618,391 2.427,393 4.372,394 1.541,395 2.959,396 1.898,397 4.401,398 2.434,399 1.491,400 2.106,402 3.997,403 1.399,404 2.868,405 1.691,406 3.757,407 2.374,408 1.394,409 1.979,411 3.008,412 1.319,413 2.671,414 1.618,415 3.617,416 2.114,417 1.141,418 1.624,420 2.841,421 1.087,422 2.53,423 1.405,424 3.436,425 2.005,426 1,427 1.475,428 2.323,429 0.994,430 2.177,431 1.227,432 3.213,433 1.646,434 0.698,435 1.023,436 1.623,437 0.659,438 1.56,439 0.932,440 3.07,441 1.075,442 0.111,443 0.149,445 0.308,446 0.105,447 1.29,448 0.722,449 2.663,450 0.742,451 -0.19,452 -0.264,454 -0.469,455 -0.168,456 0.939,457 0.435,458 2.367,459 0.347,460 -0.587,461 -0.849,463 -1.456,464 -0.508,465 13.367,466 0.495,467 0.733,468 0.027,469 39.5,470 1.463,471 22,472 0.815,473 17.5,474 0.648,475 18.921,476 0.701,477 26.233,478 0.69,479 29.513,480 1.093,481 7.795,482 0.289,483 5.229,484 0.194,485 0.137,487 0.367,493 0.749,494 1.006,495 0.586,496 0.689,497 0.67,498 0.69,499 0.511,500 1.175,501 0.572,502 0.822,503 0.48,504 0.856,505 0.878,506 1.01,507 0.819,508 0.894,509 0.792,510 0.913,511 1.212,512 0.959,513 0.908,514 0.868,515 1.103,516 0.912,517 1.002,518 0.957,519 1.501,520 1.254,521 1.156,522 1.071,523 1.192,524 0.942,525 1.212,526 1.07,527 1.318,528 0.958,529 0.862,530 1.27,531 1.331,532 1.568,533 0.927,534 1.029,535 1.056,536 1.181,537 1.416,538 1.256,539 0.948,540 1.143,541 5.5,542 0.091,543 3.111,544 2.479,545 1.513,546 0.914,547 0.78,548 0.368,549 0.243,550 0.192,551 9031,552 31595,553 2.097,554 28.9,556 9,558 1,559 1,564 1.7,565 1.952,566 3.417,567 -0.272,569 1,573 69.147,574 1.82,575 3.584,576 4.386,577 4.965,578 5.09,579 5.195,580 2.921,581 4.357,582 4.727,583 3.571,584 1253.41,585 8.202,586 15910.9,588 1,590 1,591 199.421,592 1.447,593 4.681,594 0.183,595 0.005,596 0.072,597 0.056,598 0.039,599 0.025,600 0.024,601 0.012,602 0.01,603 0.009,604 0.436,605 0.5,606 1,607 0.76,608 133.602,609 -0.096,610 -0.092,611 0.008,612 0.036,613 -0.109,614 0.029,615 0.189,616 -0.193,617 0.16,618 -0.018,619 0.125,620 -0.092,621 -0.064,622 -0.009,623 0.026,624 -0.018,625 -0.026,626 -0.006,627 -0.192,628 0.047,629 0.058,630 0.097,631 -0.088,632 0.053,633 0.018,634 0.085,635 -0.225,636 -0.071,637 -0.102,638 -0.069,639 -0.098,640 0.062,641 -0.034,642 0.052,643 -0.147,644 0.004,645 0.379,646 -0.265,647 0.092,648 -0.281,649 0.441,650 -0.021,651 -0.202,652 -0.16,653 -0.316,654 -0.2,655 -0.093,656 -0.181,657 2.732,658 5.819,659 0.778,660 24.041,661 1.026,662 1.095,663 1.976,664 3.906,665 0.782,666 3.434,667 3.784,668 4.078,669 4.357,670 4.564,671 4.605,672 4.771,673 4.868,674 4.984,675 5.004,676 6.406,677 0.755,678 393.47,679 3.434,680 4.99,681 5.855,682 6.746,683 7.627,684 8.522,685 9.409,686 10.305,687 11.196,688 12.094,689 7.9,696 1,699 2,703 2,704 9,705 2,709 3,711 17,720 1,727 1,731 38,733 21,734 2,735 30,737 41,738 19,739 14,740 4,741 8,742 4,746 4,747 5,761 19,766 4,771 2,772 1,773 1,775 4,778 1,781 11,782 6,783 1,784 8,785 2,790 3,792 1,794 0.75,795 3,802 1,811 1,812 3,816 1,831 2,838 1,840 3,842 2,848 27,853 1,857 1,859 1,870 7.9,872 1,873 2,877 13.833,878 7.05,879 5.833,880 2.118,881 4.016,882 1.525,883 0.997,884 4.643,885 11.66,886 3.773,887 4.394,888 4.994,889 5.588,890 6.152,891 6.424,892 6.881,893 7.269,894 7.665,895 7.817,896 1,897 44,898 9.962,900 4.392,901 8.037,902 18.329,904 15.073,905 2.537,906 68.5,910 117.711,911 191.898,912 36.695,914 92.973,916 77.412,917 114.486,918 210.684,919 36.695,921 3.124,922 85.286,923 145.481,924 22.035,926 138.159,927 45.192,928 117.711,929 151.182,930 92.973,931 77.412,933 117.711,934 92.973,937 19.217,938 87.367,939 44.598,940 77.412,941 117.711,942 129.669,943 191.898,946 117.711,947 52.372,948 97.458,950 171.736,951 117.711,952 129.669,953 191.898,955 0.59,956 0.351,957 0.191,958 0.102,959 22,960 10,961 0.073,962 3,963 1,964 1.095,965 3.861,966 236.323,967 0.095,968 21,969 128.382,970 1,971 1,974 17.65,975 7.103,976 3.438,977 1.503,978 129.669,979 15.174,980 8.825,984 1.06,986 42.683,987 439.277,988 42.5,993 23.995,994 5.323,995 1.639,997 -0.639,999 38.975,1000 41.624,1001 0.347,1002 0.683,1003 0.836,1004 0.946,1005 0.97,1006 0.99,1007 5.012,1008 1.491,1009 5.855,1010 4.372,1011 4.466,1012 5.081,1013 3.84,1014 6.691,1015 4.368,1016 6.241,1017 1.394,1018 7.432,1019 3.997,1020 4.111,1021 4.913,1022 3.054,1023 7.63,1024 3.952,1025 7.56,1026 1.141,1027 9.108,1028 3.008,1029 6.084,1030 7.299,1031 6.578,1032 10.746,1033 5.892,1034 8.913,1035 1,1036 10.842,1037 2.841,1038 6.538,1039 7.919,1040 6.478,1041 12.523,1042 6.274,1043 10.295,1044 0.698,1045 12.613,1046 2.323,1047 8.001,1048 9.797,1049 9.503,1050 15.159,1051 7.703,1052 11.698,1053 0.111,1054 14.411,1055 1.623,1056 8.827,1057 10.806,1058 9.746,1059 17.294,1060 8.45,1061 13.118,1062 -0.19,1063 16.227,1064 0.308,1065 10.089,1066 12.456,1067 12.451,1068 19.771,1069 9.669,1070 3.24,1071 -0.587,1072 18.059,1073 -0.469,1074 11.088,1075 13.67,1076 12.932,1077 22.063,1078 10.584,1079 2.924,1080 11.345,1081 19.903,1082 -1.456,1083 12.271,1084 15.211,1085 15.408,1086 24.491,1087 11.714,1088 2.76,1089 9.241,1090 21.757,1091 4.344,1092 13.35,1093 16.534,1094 16.07,1095 26.853,1096 12.71,1097 2.408,1098 8.454,1099 23.62,1100 3.927,1101 14.506,1102 18.024,1103 18.371,1104 29.269,1105 13.803,1106 2.113,1107 7.613,1108 25.49,1109 3.639,1110 15.622,1111 19.406,1112 19.176,1113 31.663,1114 14.837,1115 1.826,1116 6.355,1117 27.366,1118 3.168,1119 16.772,1120 20.873,1121 21.339,1122 34.08,1123 15.917,1124 1.618,1125 5.235,1126 29.249,1127 2.827,1128 17.908,1129 22.287,1130 22.261,1131 36.49,1132 16.971,1133 8557,1134 16169,1135 19.997,1136 29.722,1137 46.199,1138 51.011,1139 47.209,1140 45.572,1141 45.449,1142 62.303,1143 15.375,1144 133.43,1145 43.168,1146 5.395,1147 6.912,1148 6.55,1149 5.294,1150 5.24,1151 7.344,1152 8.641,1153 18.554,1154 5.002,1155 13.216,1156 1.54,1157 1.7,1158 1.574,1159 1.519,1160 1.515,1161 2.077,1162 0.513,1163 4.448,1164 1.439,1165 4.059,1166 4.091,1167 4.225,1168 3.971,1169 7.475,1170 3.974,1171 3.951,1172 3.973,1173 3.994,1174 3.881,1175 7.428,1176 3.876,1177 3.709,1178 3.712,1179 3.836,1180 3.696,1181 6.351,1182 3.642,1183 3.424,1184 3.458,1185 3.497,1186 3.338,1187 5.072,1188 3.31,1189 3.257,1190 3.248,1191 3.265,1192 3.017,1193 4.802,1194 3.055,1195 3.002,1196 3.055,1197 3.22,1198 2.96,1199 4.616,1200 2.896,1201 2.916,1202 2.967,1203 2.938,1204 2.799,1205 4.429,1206 2.791,1207 2.782,1208 2.788,1209 2.854,1210 2.746,1211 4.152,1212 2.701,1213 0.15,1214 0.164,1215 0.229,1216 0.139,1217 0.108,1218 4.499,1219 0.145,1220 4.912,1221 0.15,1222 6.863,1223 0.378,1224 4.162,1225 0.1,1226 3.24,1227 4.344,1228 4.506,1229 11.345,1230 3.002,1231 1.996,1232 1.966,1233 2.07,1234 2.109,1235 1.131,1236 2.099,1237 1.906,1238 1.885,1239 1.997,1240 2.001,1241 1.097,1242 2,1243 1.593,1244 1.579,1245 1.677,1246 1.693,1247 0.792,1248 1.695,1249 1.29,1250 1.285,1251 1.345,1252 1.509,1253 0.378,1254 1.463,1255 1.199,1256 1.191,1257 1.246,1258 1.386,1259 0.338,1260 1.342,1261 1.078,1262 1.076,1263 1.18,1264 1.221,1265 0.227,1266 1.264,1267 0.93,1268 0.873,1269 1.143,1270 1.104,1271 0.207,1272 1.128,1273 0.754,1274 0.723,1275 0.89,1276 0.913,1277 0.005,1278 0.94,1279 4.111,1281 5.451,1282 2.398,1283 6.986,1284 4.844,1285 8.606,1286 7.002,1287 10.271,1294 9.149,1298 1.145,1300 1.326,1305 28.69,1306 69.147,1307 136.202,1308 166.666,1309 188.666,1310 193.421,1311 197.421,1312 50.421,1313 7.644,1314 85.08,1315 145.41,1316 23,1317 12.618,1318 4.459,1319 3.755,1320 40.257,1321 104,1322 97,1323 0.191,1324 182.956,1325 319.83,1326 438.173,1327 22256,1329 18.966,1330 0.702,1331 0.568,1332 19.819,1333 15.328,1334 13.025,1335 0.434,1336 0.303,1337 7.87,1338 11.985,1339 7.621,1340 6.284,1341 13.722,1342 9.084,1343 12.06,1344 0.28,1345 0.171,1346 13.235,1347 7.332,1348 10.209,1349 0.176,1350 0.09,1351 11.321,1352 5.193,1353 8.721,1354 0.113,1355 0.051,1356 10.109,1357 3.927,1358 6.994,1359 0.074,1360 0.027,1361 8.159,1362 2.579,1363 0.298,1364 88.213,1365 0.224,1366 25.867,1367 0.525,1368 146,1369 486.277,1370 204.624,1371 516.246,1372 692.76,1373 478,1374 174,1375 475.924,1376 219.765,1377 506.753,1378 747.62,1379 476,1380 4.523}
{0 CHEMBL2058163,1 1.733,2 8.72,3 -0.256,4 0.065,5 90.469,6 8.302,7 0.571,8 3.876,9 4.007,10 3.528,11 3.292,12 5.083,13 3.34,14 4.392,15 4.567,16 3.901,17 3.677,18 5.625,19 3.711,20 4.57,21 4.766,22 3.925,23 3.803,24 5.762,25 3.797,26 4.574,27 4.792,28 3.862,29 3.775,30 5.687,31 3.754,32 4.562,33 4.798,34 3.856,35 3.766,36 5.613,37 3.755,38 4.534,39 4.709,40 3.902,41 3.818,42 5.765,43 3.794,44 4.598,45 4.82,46 3.736,47 3.751,48 5.671,49 3.693,50 4.542,51 4.79,52 3.535,53 3.495,54 5.719,55 3.457,56 0.15,57 0.702,58 7.203,59 2.617,60 15.574,61 3.543,62 0.478,63 1.05,64 14.829,65 4.541,66 39.181,67 6.128,68 0.611,69 1.182,70 18.801,71 5.76,72 46.804,73 7.998,74 0.492,75 1.175,76 19.048,77 5.572,78 42.783,79 8.416,80 0.537,81 1.143,82 20.128,83 5.321,84 34.629,85 8.16,86 0.535,87 1.163,88 16.278,89 6.044,90 35.255,91 8.134,92 0.44,93 1.083,94 20.101,95 6.796,96 39.599,97 9.755,98 0.6,99 0.868,100 21.876,101 5.409,102 65.915,103 8.102,104 11,105 40,106 0.303,107 0.68,108 0.774,109 0.799,110 0.808,111 0.808,112 3.268,113 0.827,114 -1.59,115 -1.66,116 -1.7,119 36.6,125 4,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 2,164 2,165 2,174 3,175 3,177 3,178 3,186 6,187 1,189 1,190 1,198 3,199 1,201 1,202 1,204 1,209 1,211 3,212 1,223 6,226 3,227 3,236 2,237 2,239 1,240 1,242 1,247 1,252 1,253 1,262 5,265 4,266 4,275 862,276 16.947,277 16.947,278 16.947,279 16.947,280 16.947,281 15.012,282 16.441,283 9.952,284 17.541,285 13.848,286 13.848,287 13.848,288 13.848,289 13.848,290 10.815,291 19.713,292 4.777,293 14.823,294 3.624,295 1.463,296 0.927,297 0.78,298 0.732,299 0.732,300 3.966,304 1,305 1,306 475,307 2.646,310 52.008,311 199.932,314 94.05,318 1.274,319 28.887,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 56,331 218,332 4.65,333 3.525,334 6.762,335 4.168,336 3.233,337 4.589,338 0.98,339 11.142,340 3.026,341 4.173,342 3.282,343 6.112,344 3.768,345 2.796,346 3.789,347 0.86,348 8.958,349 2.718,350 3.962,351 2.843,352 6.003,353 3.642,354 2.691,355 3.381,356 0.8,357 8.55,358 2.561,359 3.669,360 2.675,361 5.588,362 3.279,363 2.348,364 3.043,366 7.072,367 2.176,368 3.569,369 2.358,370 5.044,371 3.145,372 2.213,373 2.862,375 6.081,376 2.045,377 3.014,378 2.245,379 4.693,380 2.679,381 1.772,382 2.142,384 4.824,385 1.602,386 2.932,387 1.703,388 4.394,389 2.413,390 1.458,391 2.073,393 4.176,394 1.387,395 2.572,396 1.545,397 3.77,398 2.106,399 1.235,400 1.508,402 2.948,403 1.07,404 2.5,405 1.371,406 3.688,407 2.014,408 1.029,409 1.5,411 2.567,412 1.001,413 2.383,414 1.256,415 3.414,416 1.952,417 1,418 1.366,420 2.275,421 0.946,422 2,423 1,424 3.397,425 1.917,426 1,427 1,428 2.136,429 0.916,430 1.939,431 0.632,432 3.247,433 1.468,434 0.551,435 0.75,436 1.597,437 0.504,438 1.172,439 0.119,440 2.752,441 0.754,442 -0.167,443 -0.212,445 -0.382,446 -0.154,447 0.934,448 -0.052,449 2.607,450 0.508,451 -0.413,452 -0.504,454 -1.12,455 -0.378,456 0.576,457 -0.285,458 2.251,459 0.121,460 -0.815,461 -0.967,463 -2,464 -0.757,465 11.367,466 0.455,467 0.644,468 0.026,469 35.25,470 1.41,471 16.5,472 0.66,473 18.75,474 0.75,475 17.358,476 0.694,477 27.033,478 0.659,479 26.127,480 1.045,481 7.038,482 0.282,483 5.076,484 0.203,485 0.1,487 0.378,493 0.975,494 1.659,495 0.709,496 1.18,497 0.834,498 0.91,499 1.062,500 1.046,501 0.809,502 0.849,503 0.548,504 0.785,505 0.992,506 1.005,507 0.97,508 0.944,509 0.828,510 0.962,511 0.797,512 1.208,513 0.959,514 1.105,515 0.823,516 1.063,517 0.876,518 0.886,519 0.856,520 0.745,521 0.589,522 0.758,523 0.694,524 1.053,525 1.064,526 1.258,527 0.791,528 1.256,529 0.788,530 1.17,531 1.029,532 1.381,533 0.785,534 1.284,535 1.368,536 1.078,537 1.118,538 1.106,539 1.632,540 1.07,541 5,542 0.083,543 2.889,544 1.382,545 1.463,546 1.077,547 0.717,548 0.359,549 0.276,550 0.174,551 6605,552 20949,553 2.13,554 39,556 8,557 2,558 2,559 4,564 1.688,565 2,566 3.108,567 1.894,569 1,573 71.056,574 1.733,575 3.894,576 4.431,577 4.577,578 4.626,579 4.626,580 2.519,581 4.084,582 4.611,583 3.247,584 974.206,585 8.021,586 11477.6,588 1,591 219.66,592 1.388,593 4.579,594 0.179,595 0.014,596 0.072,597 0.035,598 0.04,599 0.028,600 0.019,601 0.012,602 0.012,603 0.012,604 0.421,605 0.33,606 1,607 0.739,608 117.948,609 -0.188,610 -0.402,611 0.037,612 -0.135,613 -0.153,614 -0.007,615 -0.057,616 0.079,617 0.061,618 0.134,619 0.137,620 0.12,621 -0.028,622 0.059,623 -0.063,624 0.051,625 0.01,626 -0.017,627 -0.027,628 -0.155,629 -0.047,630 -0.121,631 -0.079,632 -0.093,633 -0.078,634 0.14,635 0.091,636 0.223,637 0.014,638 0.218,639 0.156,640 0.079,641 -0.223,642 -0.224,643 0.04,644 -0.308,645 0.016,646 -0.192,647 -0.086,648 -0.333,649 -0.036,650 -0.248,651 -0.21,652 -0.236,653 -0.046,654 -0.148,655 -0.199,656 -0.07,657 2.256,658 4.509,659 0.84,660 20.896,661 1.024,662 1.148,663 0.36,664 0.129,665 0.659,666 3.367,667 3.714,668 4.007,669 4.304,670 4.615,671 4.771,672 4.949,673 5.124,674 5.204,675 5.231,676 5.382,677 0.651,678 340.39,679 3.367,680 4.92,681 5.784,682 6.676,683 7.566,684 8.467,685 9.369,686 10.276,687 11.184,688 12.095,689 19.5,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,717 1,722 1,726 1,731 41,733 17,735 28,737 44,738 15,739 10,742 1,746 4,747 5,761 11,762 4,766 1,771 1,775 1,778 1,781 16,782 9,783 4,784 10,787 1,790 8,794 0.75,795 2,802 1,806 1,811 1,812 3,815 1,839 1,840 3,848 25,849 2,854 4,856 1,859 1,870 4.9,873 1,874 1,877 12.5,878 7.283,879 5.389,880 2.263,881 3.069,882 1.413,883 1.022,884 4.051,885 10.505,886 3.638,887 4.273,888 4.908,889 5.555,890 6.178,891 6.632,892 7.106,893 7.594,894 7.93,895 8.261,896 0.833,897 40,898 9.18,900 3.965,901 7.907,902 17.153,904 14.014,905 2.407,906 60.167,910 141.253,911 68.932,912 137.347,914 36.145,917 68.932,918 177.398,919 137.347,921 46.293,922 50.992,923 133.249,924 31.205,925 27.769,926 94.169,928 141.253,929 206.279,930 36.145,933 141.253,934 25.145,935 11,937 74.803,938 64.334,939 67.142,941 141.253,942 173.492,943 68.932,946 141.253,947 32.742,948 40.6,950 169.081,951 141.253,952 173.492,953 68.932,955 0.587,956 0.338,957 0.181,958 0.111,959 21,960 9,961 0.068,962 3,963 1,964 1.095,965 3.645,966 219.134,967 0.095,968 21,969 108.096,974 15.903,975 6.368,976 3.049,977 0.566,978 172.206,979 6.551,980 17.05,984 2.381,986 65.794,987 383.677,988 37,993 11.509,997 -0.589,999 42.003,1000 47.066,1001 0.323,1002 0.727,1003 0.827,1004 0.854,1005 0.863,1006 0.863,1007 4.883,1008 1.235,1009 5.778,1010 4.176,1011 4.394,1012 4.959,1013 1.679,1014 6.608,1015 4.267,1016 6.1,1017 1.029,1018 7.347,1019 2.948,1020 4.007,1021 4.844,1022 0.325,1023 7.529,1024 3.853,1025 7.419,1026 1,1027 9.015,1028 2.567,1029 6.004,1030 7.215,1031 1.481,1032 10.648,1033 5.763,1034 8.776,1035 1,1036 10.742,1037 2.275,1038 6.431,1039 7.947,1040 0.268,1041 12.404,1042 6.162,1043 10.165,1044 0.551,1045 12.506,1046 2.136,1047 7.907,1048 9.802,1049 1.348,1050 15.04,1051 7.558,1052 11.579,1053 -0.167,1054 14.297,1055 1.597,1056 8.708,1057 10.932,1058 0.188,1059 17.15,1060 8.32,1061 13.012,1062 -0.413,1063 16.106,1064 -0.382,1065 9.975,1066 12.58,1067 1.243,1068 19.622,1069 9.515,1070 3.233,1071 -0.815,1072 17.929,1073 -1.12,1074 10.957,1075 13.908,1076 0.125,1077 21.89,1078 10.446,1079 2.796,1080 11.142,1081 19.764,1082 -2,1083 12.143,1084 15.472,1085 1.157,1086 24.307,1087 11.562,1088 2.691,1089 8.958,1090 21.608,1091 4.589,1092 13.213,1093 16.897,1094 0.082,1095 26.647,1096 12.573,1097 2.348,1098 8.55,1099 23.46,1100 3.789,1101 14.371,1102 18.428,1103 1.086,1104 29.05,1105 13.662,1106 2.213,1107 7.072,1108 25.318,1109 3.381,1110 15.484,1111 19.902,1112 0.054,1113 31.424,1114 14.71,1115 1.772,1116 6.081,1117 27.182,1118 3.043,1119 16.636,1120 21.422,1121 1.026,1122 33.824,1123 15.793,1124 1.458,1125 4.824,1126 29.05,1127 2.862,1128 17.773,1129 22.919,1130 0.035,1131 36.215,1132 16.861,1133 6323,1134 11379,1135 18.898,1136 27,1137 43.014,1138 43.623,1139 43.651,1140 42.646,1141 42.654,1142 56.007,1143 5.28,1144 124.65,1145 39.904,1146 5.65,1147 5.525,1148 6.564,1149 5.272,1150 5.233,1151 7.589,1152 1.96,1153 18.389,1154 4.91,1155 11.135,1156 1.536,1157 1.558,1158 1.559,1159 1.523,1160 1.523,1161 2,1162 0.189,1163 4.452,1164 1.425,1165 4.137,1166 4.188,1167 4.117,1168 3.956,1169 7.437,1170 3.991,1171 3.815,1172 3.871,1173 3.781,1174 3.644,1175 5.243,1176 3.671,1177 3.739,1178 3.795,1179 3.628,1180 3.514,1181 5.068,1182 3.533,1183 3.453,1184 3.501,1185 3.402,1186 3.211,1187 4.867,1188 3.252,1189 3.127,1190 3.212,1191 3.052,1192 2.941,1193 4.615,1194 2.91,1195 3.111,1196 3.206,1197 2.908,1198 2.856,1199 4.611,1200 2.895,1201 2.994,1202 3.063,1203 2.866,1204 2.716,1205 4.316,1206 2.757,1207 2.816,1208 2.921,1209 2.664,1210 2.536,1211 3.962,1212 2.556,1213 0.166,1214 0.126,1215 0.242,1216 0.149,1217 0.115,1218 4.65,1219 0.164,1220 3.525,1221 0.035,1222 6.762,1223 0.398,1224 4.168,1225 0.108,1226 3.233,1227 4.589,1228 0.98,1229 11.142,1230 3.026,1231 1.919,1232 1.875,1233 1.989,1234 2.109,1235 1.218,1236 2.076,1237 1.708,1238 1.654,1239 1.879,1240 1.935,1241 1.018,1242 1.918,1243 1.597,1244 1.545,1245 1.709,1246 1.838,1247 0.825,1248 1.807,1249 1.498,1250 1.461,1251 1.583,1252 1.743,1253 0.725,1254 1.698,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.538,1260 1.429,1261 1.006,1262 0.933,1263 1.243,1264 1.312,1265 0.24,1266 1.304,1267 0.932,1268 0.853,1269 1.188,1270 1.29,1271 0.032,1272 1.266,1273 0.692,1274 0.598,1275 1.051,1276 1.07,1278 1.061,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.727,1285 8.533,1286 6.862,1287 10.203,1293 10.917,1295 2.575,1297 5.4,1300 2.068,1305 26.708,1306 71.056,1307 159.66,1308 181.66,1309 187.66,1310 189.66,1311 189.66,1312 34.974,1313 7.436,1314 137.55,1315 137.55,1316 23,1317 12.611,1318 4.17,1319 3.322,1320 35.581,1321 80,1322 89,1323 0.223,1324 164.01,1325 270.38,1326 391.944,1327 15043,1329 17.389,1330 0.696,1331 0.532,1332 17.389,1333 13.292,1334 12.114,1335 0.433,1336 0.276,1337 7.53,1338 11.38,1339 7.447,1340 6.094,1341 12.114,1342 7.718,1343 11.213,1344 0.28,1345 0.14,1346 11.213,1347 5.6,1348 9.442,1349 0.175,1350 0.073,1351 9.442,1352 3.951,1353 7.798,1354 0.107,1355 0.037,1356 7.798,1357 2.698,1358 6.826,1359 0.068,1360 0.019,1361 6.826,1362 1.898,1363 0.336,1364 77.714,1365 0.23,1366 23.715,1367 0.656,1368 136,1369 451.966,1370 155.802,1371 431.595,1372 591.62,1373 404,1374 162,1375 441.864,1376 182.999,1377 443.035,1378 652.88,1379 416,1380 8.745}
{0 CHEMBL2058164,1 1.648,2 11.333,3 0.089,4 0.008,5 113.385,6 7.482,7 0.485,8 4.13,9 4.272,10 3.701,11 3.525,12 5.238,13 3.547,14 4.682,15 4.894,16 4.046,17 3.906,18 5.76,19 3.911,20 4.857,21 5.072,22 4.08,23 4.063,24 5.933,25 4.019,26 4.942,27 5.199,28 4.043,29 4.047,30 5.939,31 3.986,32 4.871,33 5.123,34 4.058,35 4.012,36 5.888,37 3.983,38 4.823,39 5.019,40 4.128,41 4.071,42 5.982,43 4.037,44 4.885,45 5.096,46 4.024,47 4.044,48 5.968,49 3.99,50 4.874,51 5.119,52 3.898,53 3.911,54 5.942,55 3.862,56 0.096,57 0.888,58 11.669,59 3.661,60 10.064,61 5.823,62 0.554,63 1.32,64 23.63,65 5.871,66 34.365,67 9.487,68 0.621,69 1.502,70 28.152,71 8.263,72 47.076,73 12.729,74 0.572,75 1.503,76 32.343,77 8.506,78 54.338,79 14.241,80 0.666,81 1.452,82 30.113,83 7.054,84 46.932,85 12.079,86 0.61,87 1.488,88 26.351,89 8.252,90 43.184,91 12.348,92 0.507,93 1.447,94 29.017,95 8.71,96 53.059,97 13.182,98 0.592,99 1.308,100 30.393,101 7.037,102 59.431,103 11.836,104 22,105 46,106 0.272,107 0.612,108 0.757,109 0.799,110 0.805,111 0.805,112 3.441,113 0.886,114 -1.83,115 -1.89,116 -1.9,119 34.5,124 2,125 6,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,174 3,175 3,177 2,178 3,186 6,187 1,190 2,198 3,199 1,202 1,204 1,209 1,211 4,212 1,223 7,226 1,227 3,236 3,237 2,239 1,240 1,242 1,252 1,253 1,262 7,265 1,266 4,275 1508,276 20.223,277 20.223,278 20.223,279 20.223,280 20.223,281 18.341,282 22.447,283 12.05,284 20.994,285 16.324,286 16.324,287 16.324,288 16.324,289 16.324,290 13.307,291 27.321,292 5.803,293 17.538,294 4.133,295 2.069,296 1.191,297 0.937,298 0.9,299 0.9,300 4.137,304 1,305 1,306 727,307 3.606,310 67.211,311 261.727,314 123.954,318 1.756,319 30.365,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 66.5,331 340,332 4.651,333 3.575,334 6.764,335 4.171,336 3.236,337 4.59,338 1.058,339 11.15,340 3.03,341 4.179,342 3.289,343 6.12,344 3.784,345 2.81,346 3.791,347 0.86,348 8.988,349 2.736,350 3.987,351 2.843,352 6.056,353 3.665,354 2.711,355 3.402,356 0.8,357 8.722,358 2.584,359 3.672,360 2.68,361 5.647,362 3.313,363 2.384,364 3.045,365 0.8,366 7.336,367 2.203,368 3.599,369 2.577,370 5.044,371 3.172,372 2.256,373 2.892,375 6.087,376 2.062,377 3.22,378 2.359,379 4.697,380 3.111,381 2.191,382 2.232,384 5.183,385 2.01,386 3.014,387 2.246,388 4.66,389 2.688,390 1.78,391 2.145,393 4.831,394 1.612,395 2.947,396 1.707,397 4.405,398 2.451,399 1.504,400 2.079,402 4.244,403 1.42,404 2.66,405 1.545,406 4.11,407 2.248,408 1.312,409 1.674,411 3.476,412 1.223,413 2.5,414 1.498,415 3.753,416 2.106,417 1.234,418 1.5,420 2.942,421 1.069,422 2.386,423 1.371,424 3.414,425 1.952,426 1,427 1.373,428 2.275,429 0.946,430 2.05,431 1.256,432 3.399,433 1.917,434 1,435 1,436 2.136,437 0.916,438 2,439 1,440 3.247,441 1.786,442 0.793,443 0.937,445 1.762,446 0.778,447 1.939,448 0.632,449 3.08,450 1.467,451 0.55,452 0.748,454 1.579,455 0.503,456 1.173,457 0.304,458 2.751,459 0.756,460 -0.165,461 -0.209,463 -0.379,464 -0.152,465 13.767,466 0.459,467 0.75,468 0.025,469 38.75,470 1.292,471 16.5,472 0.55,473 22.25,474 0.742,475 24.529,476 0.818,477 33.633,478 0.612,479 31.277,480 1.043,481 7.831,482 0.261,483 6.677,484 0.223,485 0.126,487 0.341,493 0.937,494 1.867,495 0.781,496 1.361,497 0.738,498 1.073,499 1.18,500 0.984,501 0.881,502 0.766,503 0.632,504 0.757,505 0.931,506 1.061,507 0.996,508 1.068,509 0.837,510 1.055,511 0.829,512 1.142,513 0.841,514 1.006,515 1.053,516 0.934,517 1.052,518 0.872,519 0.876,520 0.697,521 1.008,522 0.724,523 0.807,524 1.058,525 0.984,526 1.162,527 0.972,528 1.116,529 1.143,530 1.244,531 1.091,532 1.301,533 1.564,534 1.216,535 1.408,536 1.167,537 1.133,538 1.086,539 1.549,540 1.058,541 6,542 0.184,543 3.333,544 1.632,545 1.543,546 1.268,547 0.854,548 0.441,549 0.395,550 0.224,551 11246,552 30500,553 2.087,554 45.5,556 18,557 2,558 2,559 3,564 1.734,565 1.957,566 3.441,567 0.999,569 1,573 90.638,574 1.648,575 3.712,576 4.59,577 4.845,578 4.881,579 4.881,580 2.949,581 4.282,582 4.867,583 3.622,584 1575.78,585 8.531,586 21659.3,588 1,591 317.975,592 1.4,593 4.839,594 0.182,595 0.008,596 0.072,597 0.035,598 0.035,599 0.028,600 0.018,601 0.011,602 0.011,603 0.008,604 0.408,605 0.33,606 0.88,607 1.369,608 153.135,609 -0.104,610 -0.534,611 0.068,612 -0.227,613 -0.072,614 -0.067,615 -0.079,616 0.158,617 0.076,618 0.207,619 0.092,620 0.177,621 0.038,622 0.044,623 -0.057,624 -0.035,625 0.038,626 -0.069,627 0.037,628 -0.155,629 0.129,630 -0.01,631 -0.03,632 0.065,633 -0.073,634 0.162,635 0.105,636 0.251,637 -0.049,638 0.228,639 0.168,640 0.103,641 -0.065,642 -0.104,643 0.101,644 -0.128,645 -0.093,646 -0.181,647 -0.144,648 -0.248,649 -0.189,650 -0.217,651 -0.242,652 -0.187,653 -0.132,654 -0.138,655 -0.191,656 -0.112,657 1.883,658 5.582,659 0.7,660 33.369,661 1.012,662 1.15,663 0.599,664 0.359,665 0.637,666 3.526,667 3.85,668 4.111,669 4.394,670 4.691,671 4.868,672 5.063,673 5.252,674 5.38,675 5.468,676 6.686,677 0.615,678 411.53,679 3.526,680 5.069,681 5.916,682 6.797,683 7.673,684 8.566,685 9.458,686 10.36,687 11.261,688 12.169,689 16.4,692 1,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,718 1,722 1,726 1,731 55,733 17,735 33,737 58,738 19,739 10,742 1,746 4,747 5,761 11,762 8,766 1,771 1,775 1,778 1,781 25,782 10,783 3,784 11,787 1,790 9,794 0.75,795 2,802 1,806 1,811 1,812 3,815 1,836 1,839 1,840 3,844 2,848 30,849 1,854 6,855 1,856 1,859 2,870 3.6,873 1,874 1,877 15.333,878 10.4,879 6.556,880 3.117,881 3.001,882 1.387,883 0.983,884 6.202,885 10.764,886 3.761,887 4.353,888 4.958,889 5.589,890 6.203,891 6.667,892 7.152,893 7.645,894 8,895 8.355,896 0.875,897 46,898 11.072,900 4.652,901 7.756,902 21.039,904 16.877,905 2.256,906 67.667,910 258.964,911 89.936,912 125.585,914 36.145,917 89.936,918 295.109,919 125.585,920 16.793,921 35.618,922 50.992,923 133.249,924 34.329,925 27.769,926 211.88,928 258.964,929 215.521,930 36.145,933 258.964,934 25.145,935 11,937 67.252,938 81.127,939 67.142,941 258.964,942 161.73,943 89.936,946 258.964,947 36.954,948 60.518,949 18.011,950 136.184,951 258.964,952 161.73,953 89.936,955 0.58,956 0.322,957 0.17,958 0.101,959 22,960 10,961 0.103,962 6,963 1,964 1.095,965 4.103,966 271.863,967 0.095,968 21,969 137.207,974 20.629,975 9.019,976 4.763,977 0.62,978 160.443,979 6.794,980 17.504,984 2.635,986 50.908,987 510.63,988 42,993 12.582,997 -0.217,999 55.64,1000 63.225,1001 0.285,1002 0.642,1003 0.794,1004 0.838,1005 0.844,1006 0.844,1007 5.004,1008 1.504,1009 5.9,1010 4.831,1011 4.533,1012 5.04,1013 1.893,1014 6.706,1015 4.4,1016 6.201,1017 1.312,1018 7.453,1019 4.244,1020 4.111,1021 4.89,1022 0.57,1023 7.591,1024 3.942,1025 7.505,1026 1.234,1027 9.106,1028 3.476,1029 6.116,1030 7.253,1031 1.709,1032 10.706,1033 5.866,1034 8.847,1035 1,1036 10.82,1037 2.942,1038 6.509,1039 7.968,1040 0.479,1041 12.446,1042 6.229,1043 10.225,1044 1,1045 12.573,1046 2.275,1047 7.989,1048 9.819,1049 1.641,1050 15.081,1051 7.634,1052 11.629,1053 0.793,1054 14.355,1055 2.136,1056 8.766,1057 10.943,1058 0.346,1059 17.183,1060 8.375,1061 13.054,1062 0.55,1063 16.157,1064 1.762,1065 10.035,1066 12.589,1067 1.626,1068 19.654,1069 9.573,1070 3.236,1071 -0.165,1072 17.975,1073 1.579,1074 11.002,1075 13.915,1076 0.237,1077 21.918,1078 10.494,1079 2.81,1080 11.15,1081 19.806,1082 -0.379,1083 12.188,1084 15.477,1085 1.645,1086 24.334,1087 11.611,1088 2.711,1089 8.988,1090 21.646,1091 4.59,1092 13.25,1093 16.902,1094 0.158,1095 26.671,1096 12.617,1097 2.384,1098 8.722,1099 23.496,1100 3.791,1101 14.406,1102 18.433,1103 1.689,1104 29.072,1105 13.707,1106 2.256,1107 7.336,1108 25.352,1109 3.402,1110 15.516,1111 19.906,1112 0.104,1113 31.445,1114 14.753,1115 2.191,1116 6.087,1117 27.214,1118 3.045,1119 16.666,1120 21.426,1121 1.749,1122 33.844,1123 15.836,1124 1.78,1125 5.183,1126 29.081,1127 2.892,1128 17.8,1129 22.923,1130 0.068,1131 36.234,1132 16.904,1133 10900,1134 18125,1135 22.076,1136 35.052,1137 49.972,1138 50.746,1139 50.731,1140 49.528,1141 49.519,1142 62.816,1143 7.037,1144 141.42,1145 46.183,1146 5.651,1147 5.575,1148 6.566,1149 5.275,1150 5.236,1151 7.59,1152 2.117,1153 18.398,1154 4.918,1155 14.885,1156 1.514,1157 1.538,1158 1.537,1159 1.501,1160 1.501,1161 1.904,1162 0.213,1163 4.285,1164 1.399,1165 4.139,1166 4.191,1167 4.119,1168 3.959,1169 7.429,1170 3.994,1171 3.817,1172 3.873,1173 3.783,1174 3.646,1175 5.243,1176 3.673,1177 3.743,1178 3.805,1179 3.636,1180 3.519,1181 5.056,1182 3.538,1183 3.701,1184 3.783,1185 3.567,1186 3.469,1187 4.623,1188 3.48,1189 3.449,1190 3.513,1191 3.367,1192 3.206,1193 4.612,1194 3.239,1195 3.219,1196 3.304,1197 3.103,1198 2.99,1199 4.365,1200 2.998,1201 3.111,1202 3.206,1203 2.922,1204 2.941,1205 4.319,1206 2.91,1207 3.029,1208 3.106,1209 2.866,1210 2.809,1211 3.978,1212 2.828,1213 0.141,1214 0.108,1215 0.205,1216 0.126,1217 0.098,1218 4.651,1219 0.139,1220 3.575,1221 0.032,1222 6.764,1223 0.338,1224 4.171,1225 0.092,1226 3.236,1227 4.59,1228 1.058,1229 11.15,1230 3.03,1231 1.919,1232 1.875,1233 1.989,1234 2.109,1235 1.218,1236 2.076,1237 1.708,1238 1.654,1239 1.905,1240 1.936,1241 1.127,1242 1.925,1243 1.671,1244 1.604,1245 1.878,1246 1.922,1247 1.018,1248 1.915,1249 1.586,1250 1.524,1251 1.709,1252 1.833,1253 0.825,1254 1.804,1255 1.479,1256 1.429,1257 1.646,1258 1.723,1259 0.745,1260 1.699,1261 1.215,1262 1.121,1263 1.513,1264 1.464,1265 0.716,1266 1.479,1267 1.153,1268 1.064,1269 1.473,1270 1.376,1271 0.537,1272 1.429,1273 1.006,1274 0.931,1275 1.417,1276 1.311,1277 0.469,1278 1.308,1279 4.205,1281 5.525,1282 2.398,1283 7.034,1284 4.727,1285 8.632,1286 6.862,1287 10.284,1289 3.916,1293 5.61,1295 3.912,1296 2.898,1297 5.47,1300 4.118,1305 33.837,1306 90.638,1307 204.161,1308 252.465,1309 266.465,1310 268.465,1311 268.465,1312 47.802,1313 7.763,1314 126.8,1315 126.8,1316 23,1317 12.687,1318 4.17,1319 3.322,1320 46.761,1321 119,1322 137,1323 0.195,1324 209.173,1325 350.58,1326 502.143,1327 23008,1329 21.087,1330 0.703,1331 0.569,1332 21.087,1333 17.076,1334 14.508,1335 0.44,1336 0.295,1337 9.504,1338 13.627,1339 9.282,1340 7.687,1341 14.508,1342 9.743,1343 13.271,1344 0.288,1345 0.159,1346 13.271,1347 7.295,1348 10.744,1349 0.179,1350 0.08,1351 10.744,1352 4.775,1353 8.802,1354 0.11,1355 0.04,1356 8.802,1357 3.172,1358 7.453,1359 0.069,1360 0.02,1361 7.453,1362 2.157,1363 0.302,1364 93.024,1365 0.213,1366 28.159,1367 0.55,1368 158,1369 498.632,1370 179.912,1371 475.134,1372 650,1373 446,1374 185,1375 480.118,1376 209.023,1377 484.518,1378 710.62,1379 452,1380 7.519}
{0 CHEMBL2058165,1 1.628,2 12.129,3 0.151,4 0.023,5 118.25,6 7.337,7 0.471,8 4.175,9 4.319,10 3.729,11 3.576,12 5.266,13 3.59,14 4.733,15 4.947,16 4.069,17 3.958,18 5.789,19 3.953,20 4.919,21 5.143,22 4.103,23 4.113,24 5.964,25 4.059,26 5.002,27 5.266,28 4.065,29 4.101,30 5.972,31 4.03,32 4.922,33 5.172,34 4.083,35 4.071,36 5.909,37 4.027,38 4.917,39 5.134,40 4.134,41 4.112,42 6.029,43 4.068,44 4.916,45 5.14,46 4.063,47 4.087,48 5.959,49 4.026,50 4.935,51 5.173,52 3.949,53 3.957,54 6.042,55 3.913,56 0.082,57 0.928,58 12.628,59 3.971,60 9.867,61 6.354,62 0.542,63 1.382,64 25.233,65 6.42,66 34.737,67 10.424,68 0.6,69 1.576,70 30.592,71 8.877,72 48.801,73 13.953,74 0.607,75 1.579,76 34.778,77 9.188,78 55.332,79 15.34,80 0.561,81 1.528,82 31.591,83 7.993,84 44.139,85 13.485,86 0.746,87 1.565,88 30.526,89 8.561,90 55.022,91 13.434,92 0.391,93 1.504,94 30.187,95 9.328,96 37.963,97 14.413,98 0.684,99 1.361,100 32.944,101 7.632,102 74.442,103 12.473,104 23,105 47,106 0.266,107 0.604,108 0.766,109 0.805,110 0.811,111 0.811,112 3.472,113 0.904,114 -2.06,115 -2.11,116 -2.09,119 34.5,121 1,124 2,125 6,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,174 3,175 4,177 2,178 3,180 1,186 6,187 1,190 1,198 3,199 2,202 2,204 1,209 1,211 3,212 2,223 7,224 1,226 1,227 3,236 3,237 2,239 1,240 1,242 1,249 1,250 2,252 1,253 1,262 5,265 1,266 4,271 1,275 1672,276 20.93,277 20.93,278 20.93,279 20.93,280 20.93,281 19.048,282 24.491,283 12.55,284 21.699,285 16.824,286 16.824,287 16.824,288 16.824,289 16.824,290 13.807,291 31.071,292 6.05,293 18.038,294 4.23,295 2.159,296 1.164,297 0.923,298 0.888,299 0.888,300 4.168,304 1,305 1,306 804,307 3.742,310 70.685,311 275.19,314 130.618,318 1.883,319 30.896,322 0.75,323 0.83,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.81,330 68.5,331 376,332 4.651,333 3.575,334 6.764,335 4.171,336 3.236,337 4.59,338 1.058,339 11.15,340 3.03,341 4.179,342 3.289,343 6.12,344 3.783,345 2.81,346 3.791,347 0.86,348 8.988,349 2.736,350 3.987,351 2.843,352 6.056,353 3.664,354 2.711,355 3.402,356 0.8,357 8.722,358 2.584,359 3.672,360 2.679,361 5.647,362 3.31,363 2.38,364 3.045,365 0.8,366 7.335,367 2.201,368 3.598,369 2.576,370 5.044,371 3.17,372 2.251,373 2.892,375 6.087,376 2.063,377 3.23,378 2.359,379 4.696,380 3.135,381 2.214,382 2.234,384 5.184,385 2.036,386 3.014,387 2.246,388 4.659,389 2.693,390 1.784,391 2.151,393 4.833,394 1.618,395 2.953,396 1.72,397 4.407,398 2.501,399 1.558,400 2.083,402 4.257,403 1.464,404 2.692,405 1.659,406 4.137,407 2.356,408 1.404,409 1.722,411 3.599,412 1.332,413 2.5,414 1.545,415 3.754,416 2.106,417 1.235,418 1.5,420 2.943,421 1.07,422 2.39,423 1.371,424 3.414,425 2.004,426 1.019,427 1.377,428 2.37,429 0.994,430 2.318,431 1.256,432 3.4,433 1.952,434 1,435 1.24,436 2.275,437 0.946,438 2,439 1,440 3.342,441 1.917,442 1,443 1,445 2.136,446 0.916,447 1.939,448 0.755,449 3.247,450 1.469,451 0.553,452 0.75,454 1.602,455 0.505,456 1.394,457 0.63,458 2.766,459 1.215,460 0.236,461 0.259,463 0.496,464 0.228,465 14.267,466 0.46,467 0.75,468 0.024,469 39.25,470 1.266,471 16.5,472 0.532,473 22.75,474 0.734,475 26.324,476 0.849,477 34.933,478 0.602,479 31.683,480 1.022,481 7.837,482 0.253,483 7.171,484 0.231,485 0.121,487 0.329,493 0.93,494 1.855,495 0.799,496 1.366,497 0.733,498 1.09,499 1.162,500 1.005,501 0.897,502 0.81,503 0.625,504 0.798,505 0.925,506 1.103,507 0.982,508 1.076,509 0.818,510 1.051,511 0.832,512 1.035,513 0.85,514 0.944,515 1.046,516 0.902,517 0.996,518 1.008,519 0.866,520 0.847,521 0.974,522 0.82,523 0.931,524 0.961,525 1.022,526 1.008,527 1.151,528 1.028,529 0.871,530 1.244,531 0.963,532 1.313,533 0.972,534 1.177,535 1.676,536 1.089,537 1.164,538 1.008,539 2.238,540 1.008,541 6,542 0.144,543 3.333,544 1.632,545 1.623,546 1.212,547 0.854,548 0.504,549 0.339,550 0.278,551 12575,552 32931,553 2.084,554 46.6,556 18,557 2,558 2,559 3,562 2,564 1.741,565 1.958,566 3.522,567 0.972,569 1,573 94.413,574 1.628,575 3.699,576 4.694,577 4.935,578 4.97,579 4.97,580 3.06,581 4.349,582 4.913,583 3.716,584 1727.86,585 8.617,586 24566.9,588 1,591 339.763,592 1.383,593 4.888,594 0.176,595 0.006,596 0.071,597 0.035,598 0.036,599 0.026,600 0.018,601 0.011,602 0.009,603 0.009,604 0.397,605 0.33,606 0.88,607 1.5,608 160.785,609 -0.091,610 -0.511,611 0.068,612 -0.217,613 -0.06,614 -0.065,615 -0.06,616 0.143,617 0.069,618 0.176,619 0.102,620 0.15,621 0.037,622 -0.01,623 -0.033,624 -0.041,625 0.052,626 -0.056,627 0.046,628 -0.048,629 0.125,630 0.043,631 -0.029,632 0.09,633 -0.057,634 0.032,635 0.106,636 0.135,637 -0.031,638 0.156,639 0.123,640 0.156,641 -0.065,642 0.005,643 0.019,644 -0.057,645 0.028,646 -0.173,647 -0.024,648 -0.248,649 0.005,650 -0.156,651 -0.285,652 -0.125,653 -0.137,654 -0.064,655 -0.279,656 -0.074,657 1.868,658 5.651,659 0.677,660 36.764,661 1.009,662 1.149,663 0.826,664 0.683,665 0.635,666 3.555,667 3.871,668 4.127,669 4.407,670 4.7,671 4.868,672 5.075,673 5.263,674 5.38,675 5.472,676 7.063,677 0.61,678 425.56,679 3.555,680 5.094,681 5.938,682 6.815,683 7.688,684 8.578,685 9.467,686 10.367,687 11.267,688 12.173,689 15.5,692 1,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,718 1,722 1,726 1,731 58,733 17,735 34,737 61,738 20,739 10,742 1,746 4,747 5,758 1,761 11,762 9,766 1,771 1,775 1,778 1,781 27,782 10,783 3,784 11,787 1,790 9,794 0.75,795 2,802 1,806 1,811 1,812 3,815 1,836 1,839 1,840 3,844 2,848 31,849 1,854 7,855 1,856 1,859 2,870 3.4,873 1,874 1,877 15.833,878 10.9,879 6.806,880 3.367,881 2.99,882 1.383,883 0.979,884 6.73,885 10.809,886 3.784,887 4.366,888 4.965,889 5.593,890 6.205,891 6.666,892 7.155,893 7.646,894 7.999,895 8.354,896 1,897 47,898 11.453,900 4.797,901 7.731,902 21.856,904 17.544,905 2.231,906 69.167,910 282.506,911 92.471,912 125.585,914 36.145,917 92.471,918 318.651,919 125.585,920 16.793,921 38.153,922 50.992,923 133.249,924 34.329,925 27.769,926 235.422,928 282.506,929 218.056,930 36.145,933 258.964,934 48.687,935 11,937 69.786,938 81.127,939 67.142,941 282.506,942 161.73,943 92.471,946 282.506,947 39.488,948 60.518,949 18.011,950 136.184,951 282.506,952 161.73,953 92.471,955 0.577,956 0.32,957 0.169,958 0.099,959 22,960 10,961 0.115,962 7,963 1,964 1.095,965 4.216,966 281.244,967 0.095,968 21,969 140.825,974 21.59,975 9.663,976 5.168,977 0.625,978 160.443,979 6.817,980 17.548,984 2.656,986 50.908,987 536.707,988 43,993 12.651,997 -0.201,999 58.523,1000 66.64,1001 0.278,1002 0.632,1003 0.801,1004 0.843,1005 0.848,1006 0.848,1007 5.024,1008 1.558,1009 5.916,1010 4.833,1011 4.554,1012 5.053,1013 1.893,1014 6.715,1015 4.424,1016 6.215,1017 1.404,1018 7.465,1019 4.257,1020 4.111,1021 4.89,1022 0.57,1023 7.591,1024 3.942,1025 7.515,1026 1.235,1027 9.114,1028 3.599,1029 6.129,1030 7.257,1031 1.709,1032 10.709,1033 5.883,1034 8.854,1035 1.019,1036 10.825,1037 2.943,1038 6.509,1039 7.968,1040 0.479,1041 12.446,1042 6.229,1043 10.231,1044 1,1045 12.577,1046 2.37,1047 7.996,1048 9.82,1049 1.641,1050 15.082,1051 7.644,1052 11.633,1053 1,1054 14.357,1055 2.275,1056 8.766,1057 10.943,1058 0.346,1059 17.183,1060 8.375,1061 13.057,1062 0.553,1063 16.158,1064 2.136,1065 10.038,1066 12.589,1067 1.626,1068 19.654,1069 9.578,1070 3.236,1071 0.236,1072 17.976,1073 1.602,1074 11.002,1075 13.915,1076 0.237,1077 21.918,1078 10.494,1079 2.81,1080 11.15,1081 19.806,1082 0.496,1083 12.189,1084 15.477,1085 1.645,1086 24.334,1087 11.614,1088 2.711,1089 8.988,1090 21.647,1091 4.59,1092 13.25,1093 16.902,1094 0.158,1095 26.671,1096 12.617,1097 2.38,1098 8.722,1099 23.496,1100 3.791,1101 14.407,1102 18.433,1103 1.689,1104 29.072,1105 13.708,1106 2.251,1107 7.335,1108 25.352,1109 3.402,1110 15.516,1111 19.906,1112 0.104,1113 31.445,1114 14.753,1115 2.214,1116 6.087,1117 27.214,1118 3.045,1119 16.666,1120 21.426,1121 1.749,1122 33.844,1123 15.837,1124 1.784,1125 5.184,1126 29.081,1127 2.892,1128 17.8,1129 22.923,1130 0.068,1131 36.234,1132 16.904,1133 12196,1134 19945,1135 22.77,1136 36.813,1137 51.094,1138 52.197,1139 51.963,1140 50.836,1141 50.78,1142 64.074,1143 7.037,1144 143.953,1145 47.445,1146 5.651,1147 5.575,1148 6.566,1149 5.275,1150 5.236,1151 7.59,1152 2.117,1153 18.398,1154 4.92,1155 15.315,1156 1.503,1157 1.535,1158 1.528,1159 1.495,1160 1.494,1161 1.885,1162 0.207,1163 4.234,1164 1.395,1165 4.14,1166 4.191,1167 4.12,1168 3.959,1169 7.429,1170 3.994,1171 3.817,1172 3.873,1173 3.783,1174 3.647,1175 5.243,1176 3.674,1177 3.747,1178 3.819,1179 3.637,1180 3.539,1181 5.056,1182 3.548,1183 3.727,1184 3.794,1185 3.588,1186 3.51,1187 4.623,1188 3.522,1189 3.495,1190 3.57,1191 3.404,1192 3.242,1193 4.612,1194 3.273,1195 3.295,1196 3.365,1197 3.167,1198 3.092,1199 4.359,1200 3.097,1201 3.111,1202 3.206,1203 2.963,1204 2.941,1205 4.324,1206 2.91,1207 3.076,1208 3.155,1209 2.893,1210 2.837,1211 4.064,1212 2.864,1213 0.137,1214 0.105,1215 0.199,1216 0.123,1217 0.095,1218 4.651,1219 0.135,1220 3.575,1221 0.031,1222 6.764,1223 0.328,1224 4.171,1225 0.089,1226 3.236,1227 4.59,1228 1.058,1229 11.15,1230 3.03,1231 1.919,1232 1.875,1233 1.99,1234 2.109,1235 1.232,1236 2.076,1237 1.713,1238 1.655,1239 1.949,1240 1.942,1241 1.218,1242 1.947,1243 1.704,1244 1.638,1245 1.879,1246 1.931,1247 1.018,1248 1.918,1249 1.593,1250 1.534,1251 1.731,1252 1.835,1253 0.832,1254 1.807,1255 1.505,1256 1.455,1257 1.696,1258 1.762,1259 0.825,1260 1.743,1261 1.328,1262 1.242,1263 1.524,1264 1.553,1265 0.725,1266 1.561,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.569,1272 1.429,1273 1.006,1274 0.932,1275 1.417,1276 1.311,1277 0.469,1278 1.308,1279 4.234,1281 5.549,1282 2.398,1283 7.052,1284 4.727,1285 8.645,1286 6.862,1287 10.292,1289 4.015,1293 5.618,1295 4.99,1296 2.937,1297 5.478,1300 4.2,1305 35.363,1306 94.413,1307 214.569,1308 272.253,1309 286.253,1310 288.253,1311 288.253,1312 51.074,1313 7.818,1314 126.8,1315 126.8,1316 23,1317 12.693,1318 4.17,1319 3.322,1320 49.222,1321 130,1322 155,1323 0.188,1324 218.766,1325 367.88,1326 525.548,1327 25021,1329 21.794,1330 0.703,1331 0.574,1332 21.794,1333 17.783,1334 15.008,1335 0.441,1336 0.301,1337 10.004,1338 14.126,1339 9.772,1340 8.103,1341 15.008,1342 10.243,1343 13.624,1344 0.29,1345 0.163,1346 13.624,1347 7.649,1348 10.994,1349 0.18,1350 0.082,1351 10.994,1352 4.999,1353 8.973,1354 0.111,1355 0.042,1356 8.973,1357 3.376,1358 7.631,1359 0.07,1360 0.021,1361 7.631,1362 2.273,1363 0.293,1364 96.024,1365 0.21,1366 29.107,1367 0.522,1368 162,1369 502.632,1370 183.912,1371 479.296,1372 655.76,1373 450,1374 189,1375 484.118,1376 212.995,1377 488.677,1378 716.32,1379 456,1380 8.06}
{0 CHEMBL2058166,1 1.713,2 11.207,3 -0.181,4 0.033,5 106.409,6 7.813,7 0.5,8 4.07,9 4.199,10 3.673,11 3.461,12 5.213,13 3.498,14 4.615,15 4.803,16 4.009,17 3.83,18 5.74,19 3.851,20 4.769,21 4.977,22 4.051,23 3.966,24 5.887,25 3.945,26 4.797,27 5.022,28 4.017,29 3.956,30 5.872,31 3.925,32 4.789,33 5.024,34 4.04,35 3.952,36 5.871,37 3.938,38 4.761,39 4.948,40 4.091,41 4.012,42 5.936,43 3.987,44 4.82,45 5.029,46 3.98,47 3.979,48 5.891,49 3.929,50 4.804,51 5.044,52 3.847,53 3.823,54 5.891,55 3.786,56 0.14,57 0.817,58 10.115,59 3.511,60 11.911,61 5.096,62 0.63,63 1.211,64 21.283,65 5.716,66 40.135,67 8.301,68 0.72,69 1.372,70 25.243,71 7.238,72 49.903,73 10.813,74 0.59,75 1.384,76 26.24,77 7.231,78 52.069,79 11.441,80 0.733,81 1.369,82 26.782,83 6.581,84 53.918,85 10.668,86 0.656,87 1.405,88 23.417,89 7.646,90 42.187,91 11.05,92 0.563,93 1.353,94 26.315,95 8.323,96 47.762,97 12.236,98 0.664,99 1.201,100 28.071,101 6.753,102 60.664,103 10.784,104 15,105 44,106 0.287,107 0.631,108 0.77,109 0.804,110 0.828,111 0.828,112 3.409,113 0.865,114 -1.6,115 -1.67,116 -1.7,119 35.3,124 1,125 6,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,174 3,175 3,177 2,178 3,186 6,187 1,190 2,198 3,199 1,202 1,204 1,209 1,211 4,212 1,223 7,226 1,227 3,236 3,237 2,239 1,240 1,242 1,252 1,253 1,262 7,265 1,266 4,275 1376,276 19.938,277 19.938,278 19.938,279 19.938,280 19.938,281 18.056,282 21.022,283 12.084,284 20.79,285 15.807,286 15.807,287 15.807,288 15.807,289 15.807,290 12.789,291 24.086,292 5.776,293 17.067,294 3.959,295 1.899,296 1.069,297 0.868,298 0.721,299 0.721,300 4.107,304 1,305 1,306 698,307 3.317,310 63.98,311 248.891,314 117.672,318 1.677,319 32.49,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 65,331 325,332 4.651,333 3.575,334 6.764,335 4.171,336 3.236,337 4.59,338 1.058,339 11.15,340 3.03,341 4.179,342 3.289,343 6.12,344 3.783,345 2.81,346 3.791,347 0.86,348 8.988,349 2.736,350 3.987,351 2.843,352 6.056,353 3.664,354 2.711,355 3.402,356 0.86,357 8.722,358 2.584,359 3.672,360 2.679,361 5.647,362 3.308,363 2.379,364 3.045,365 0.8,366 7.335,367 2.199,368 3.598,369 2.36,370 5.044,371 3.162,372 2.24,373 2.892,375 6.087,376 2.055,377 3.015,378 2.249,379 4.696,380 2.702,381 1.792,382 2.155,384 4.833,385 1.626,386 2.96,387 2.219,388 4.407,389 2.582,390 1.674,391 2.085,393 4.264,394 1.515,395 2.745,396 1.705,397 4.148,398 2.399,399 1.454,400 1.784,402 3.664,403 1.367,404 2.512,405 1.545,406 3.754,407 2.108,408 1.236,409 1.5,411 2.945,412 1.072,413 2.5,414 1.384,415 3.483,416 2.084,417 1.158,418 1.464,420 2.622,421 1.06,422 2.384,423 1.371,424 3.414,425 1.952,426 1,427 1.368,428 2.275,429 0.946,430 2,431 1.256,432 3.397,433 1.917,434 1,435 1,436 2.136,437 0.916,438 1.939,439 1,440 3.247,441 1.492,442 0.581,443 0.753,445 1.605,446 0.524,447 1.735,448 0.631,449 2.78,450 1.458,451 0.531,452 0.622,454 0.935,455 0.489,456 1.172,457 0.349,458 2.652,459 0.754,460 -0.167,461 -0.212,463 -0.381,464 -0.153,465 13.2,466 0.455,467 0.606,468 0.021,469 38,470 1.31,471 16.5,472 0.569,473 21.5,474 0.741,475 22.603,476 0.779,477 32.4,478 0.635,479 30.172,480 1.04,481 7.747,482 0.267,483 6.405,484 0.221,485 0.093,487 0.326,493 0.937,494 1.787,495 0.742,496 1.341,497 0.739,498 1.034,499 1.269,500 1.025,501 0.913,502 0.809,503 0.742,504 0.791,505 0.931,506 1.003,507 0.94,508 0.932,509 0.846,510 0.942,511 0.865,512 1.228,513 0.917,514 1.075,515 1.143,516 1.012,517 0.924,518 0.914,519 0.874,520 0.737,521 0.932,522 0.757,523 0.716,524 1.058,525 0.997,526 1.168,527 0.844,528 1.147,529 0.915,530 1.239,531 1.039,532 1.32,533 1.151,534 1.231,535 1.253,536 1.133,537 1.092,538 1.081,539 1.468,540 1.045,541 5,542 0.131,543 3.111,544 1.507,545 1.543,546 1.212,547 0.773,548 0.441,549 0.339,550 0.209,551 10169,552 30393,553 2.111,554 43.1,556 15,557 2,558 2,559 3,564 1.726,565 2,566 3.411,567 1.028,569 1,573 87.373,574 1.713,575 3.773,576 4.603,577 4.804,578 4.952,579 4.952,580 2.928,581 4.513,582 4.818,583 3.561,584 1445.85,585 8.436,586 19259.7,588 1,591 289.294,592 1.314,593 4.8,594 0.156,595 0.007,596 0.071,597 0.033,598 0.036,599 0.027,600 0.017,601 0.011,602 0.01,603 0.008,604 0.376,605 0.33,606 0.88,607 1.344,608 145.925,609 -0.124,610 -0.482,611 0.062,612 -0.222,613 -0.075,614 -0.058,615 -0.143,616 0.091,617 0.024,618 0.174,619 0.021,620 0.133,621 0.015,622 0.083,623 -0.009,624 0.072,625 0.034,626 0.023,627 -0.034,628 -0.17,629 0.017,630 -0.075,631 -0.101,632 -0.028,633 -0.036,634 0.142,635 0.081,636 0.218,638 0.198,639 0.143,640 0.106,641 -0.114,642 -0.125,643 0.08,644 -0.175,645 -0.029,646 -0.192,647 -0.114,648 -0.269,649 -0.118,650 -0.223,651 -0.207,652 -0.177,653 -0.093,654 -0.134,655 -0.168,656 -0.086,657 1.934,658 5.439,659 0.724,660 31.046,661 1.019,662 1.147,663 0.366,664 0.134,665 0.642,666 3.497,667 3.807,668 4.094,669 4.382,670 4.682,671 4.852,672 5.05,673 5.242,674 5.361,675 5.438,676 6.424,677 0.628,678 398.48,679 3.497,680 5.03,681 5.883,682 6.763,683 7.644,684 8.539,685 9.435,686 10.339,687 11.243,688 12.153,689 15.7,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,718 1,722 1,726 1,731 51,733 17,735 32,737 54,738 18,739 10,742 1,746 4,747 5,761 11,762 7,766 1,771 1,775 1,778 1,781 22,782 10,783 3,784 11,787 1,790 8,794 0.75,795 3,802 1,806 1,811 1,812 3,815 1,839 2,840 3,844 1,848 29,849 1,854 6,855 1,856 2,859 1,870 5.9,873 1,874 2,877 14.5,878 9.367,879 6.472,880 2.867,881 3.013,882 1.391,883 0.984,884 5.969,885 10.717,886 3.738,887 4.327,888 4.951,889 5.586,890 6.201,891 6.663,892 7.15,893 7.643,894 7.996,895 8.347,896 0.875,897 45,898 10.689,900 4.503,901 7.816,902 20.16,904 16.114,905 2.316,906 67.167,910 223.651,911 86.513,912 122.461,914 47.145,917 86.513,918 270.796,919 122.461,920 10.883,921 38.105,922 50.992,923 144.249,924 31.205,925 27.769,926 176.567,928 223.651,929 208.974,930 47.145,933 223.651,934 25.145,935 22,937 66.614,938 75.218,939 67.142,941 223.651,942 169.606,943 86.513,946 223.651,947 39.44,948 51.484,949 18.011,950 147.184,951 223.651,952 169.606,953 86.513,955 0.57,956 0.328,957 0.177,958 0.105,959 21,960 9,961 0.111,962 6,963 1,964 1.095,965 4.034,966 260.649,967 0.095,968 21,969 132.881,974 19.67,975 8.8,976 4.358,977 0.601,978 168.319,979 6.724,980 17.407,984 2.556,986 50.908,987 479.77,988 41,993 12.439,997 -0.268,999 51.982,1000 58.521,1001 0.302,1002 0.665,1003 0.812,1004 0.847,1005 0.873,1006 0.873,1007 4.97,1008 1.454,1009 5.855,1010 4.264,1011 4.489,1012 5.014,1013 1.968,1014 6.666,1015 4.352,1016 6.161,1017 1.236,1018 7.408,1019 3.664,1020 4.007,1021 4.844,1022 0.325,1023 7.554,1024 3.853,1025 7.466,1026 1.158,1027 9.064,1028 2.945,1029 6.071,1030 7.239,1031 1.818,1032 10.688,1033 5.822,1034 8.812,1035 1,1036 10.783,1037 2.622,1038 6.447,1039 7.954,1040 0.268,1041 12.436,1042 6.18,1043 10.195,1044 1,1045 12.543,1046 2.275,1047 7.953,1048 9.813,1049 1.74,1050 15.075,1051 7.601,1052 11.604,1053 0.581,1054 14.33,1055 2.136,1056 8.731,1057 10.939,1058 0.188,1059 17.181,1060 8.348,1061 13.034,1062 0.531,1063 16.137,1064 1.605,1065 10.01,1066 12.587,1067 1.707,1068 19.653,1069 9.553,1070 3.236,1071 -0.167,1072 17.96,1073 0.935,1074 10.982,1075 13.914,1076 0.125,1077 21.917,1078 10.479,1079 2.81,1080 11.15,1081 19.794,1082 -0.381,1083 12.173,1084 15.477,1085 1.708,1086 24.334,1087 11.6,1088 2.711,1089 8.988,1090 21.638,1091 4.59,1092 13.238,1093 16.902,1094 0.082,1095 26.671,1096 12.609,1097 2.379,1098 8.722,1099 23.489,1100 3.791,1101 14.398,1102 18.433,1103 1.735,1104 29.072,1105 13.701,1106 2.24,1107 7.335,1108 25.347,1109 3.402,1110 15.51,1111 19.906,1112 0.054,1113 31.445,1114 14.749,1115 1.792,1116 6.087,1117 27.21,1118 3.045,1119 16.662,1120 21.426,1121 1.783,1122 33.844,1123 15.833,1124 1.674,1125 4.833,1126 29.079,1127 2.892,1128 17.797,1129 22.923,1130 0.035,1131 36.234,1132 16.901,1133 9840,1134 17133,1135 21.671,1136 32.739,1137 47.877,1138 49.185,1139 48.914,1140 47.579,1141 47.601,1142 60.901,1143 7.157,1144 135.12,1145 44.234,1146 5.651,1147 5.575,1148 6.674,1149 5.275,1150 5.236,1151 7.59,1152 2.117,1153 18.398,1154 4.917,1155 12.56,1156 1.496,1157 1.537,1158 1.529,1159 1.487,1160 1.488,1161 1.903,1162 0.224,1163 4.222,1164 1.382,1165 4.139,1166 4.19,1167 4.119,1168 3.958,1169 7.429,1170 3.993,1171 3.817,1172 3.872,1173 3.783,1174 3.646,1175 5.243,1176 3.673,1177 3.741,1178 3.798,1179 3.634,1180 3.517,1181 5.056,1182 3.536,1183 3.633,1184 3.695,1185 3.519,1186 3.385,1187 4.639,1188 3.406,1189 3.378,1190 3.42,1191 3.291,1192 3.147,1193 4.622,1194 3.176,1195 3.167,1196 3.253,1197 3.05,1198 2.941,1199 4.611,1200 2.91,1201 3.111,1202 3.206,1203 2.914,1204 2.888,1205 4.335,1206 2.91,1207 3.022,1208 3.101,1209 2.866,1210 2.796,1211 3.987,1212 2.807,1213 0.145,1214 0.112,1215 0.211,1216 0.13,1217 0.101,1218 4.651,1219 0.143,1220 3.575,1221 0.033,1222 6.764,1223 0.348,1224 4.171,1225 0.095,1226 3.236,1227 4.59,1228 1.058,1229 11.15,1230 3.03,1231 1.919,1232 1.875,1233 1.989,1234 2.109,1235 1.218,1236 2.076,1237 1.708,1238 1.654,1239 1.88,1240 1.935,1241 1.038,1242 1.919,1243 1.627,1244 1.579,1245 1.82,1246 1.875,1247 1.015,1248 1.855,1249 1.567,1250 1.508,1251 1.703,1252 1.825,1253 0.825,1254 1.798,1255 1.403,1256 1.359,1257 1.572,1258 1.647,1259 0.725,1260 1.622,1261 1.153,1262 1.064,1263 1.513,1264 1.418,1265 0.578,1266 1.442,1267 1.12,1268 1.025,1269 1.467,1270 1.376,1271 0.53,1272 1.429,1273 1.006,1274 0.931,1275 1.242,1276 1.311,1277 0.246,1278 1.303,1279 4.174,1281 5.485,1282 2.398,1283 6.995,1284 4.727,1285 8.599,1286 6.862,1287 10.257,1289 1.583,1293 5.595,1295 3.425,1296 2.785,1297 10.422,1300 2.097,1305 32.003,1306 87.373,1307 192.426,1308 234.764,1309 245.029,1310 252.539,1311 252.539,1312 45.091,1313 7.704,1314 132.79,1315 132.79,1316 23,1317 12.67,1318 4.17,1319 3.322,1320 44.398,1321 110,1322 144,1323 0.2,1324 196.783,1325 331.07,1326 471.91,1327 21257,1329 20.217,1330 0.697,1331 0.553,1332 20.217,1333 16.037,1334 14.152,1335 0.442,1336 0.288,1337 8.983,1338 13.224,1339 8.843,1340 7.269,1341 14.152,1342 9.229,1343 12.442,1344 0.283,1345 0.147,1346 12.442,1347 6.485,1348 10.567,1349 0.179,1350 0.077,1351 10.567,1352 4.523,1353 8.67,1354 0.11,1355 0.039,1356 8.67,1357 3.045,1358 7.404,1359 0.069,1360 0.02,1361 7.404,1362 2.092,1363 0.308,1364 91.315,1365 0.215,1366 27.299,1367 0.57,1368 152,1369 516.722,1370 174.71,1371 484.499,1372 659.14,1373 456,1374 179,1375 479.437,1376 203.212,1377 481.443,1378 707.82,1379 450,1380 7.854}
{0 CHEMBL2058167,1 1.69,2 12,3 -0.118,4 0.014,5 111.275,6 7.639,7 0.485,8 4.118,9 4.249,10 3.703,11 3.515,12 5.241,13 3.544,14 4.67,15 4.861,16 4.033,17 3.886,18 5.769,19 3.895,20 4.836,21 5.054,22 4.074,23 4.019,24 5.915,25 3.988,26 4.869,27 5.102,28 4.043,29 4.009,30 5.92,31 3.967,32 4.839,33 5.075,34 4.058,35 4.006,36 5.866,37 3.981,38 4.839,39 5.036,40 4.117,41 4.058,42 6.015,43 4.027,44 4.86,45 5.077,46 4.023,47 4.03,48 5.912,49 3.975,50 4.874,51 5.111,52 3.902,53 3.886,54 5.971,55 3.847,56 0.124,57 0.856,58 11.103,59 3.821,60 11.337,61 5.635,62 0.614,63 1.273,64 22.953,65 6.263,66 40.005,67 9.262,68 0.683,69 1.446,70 27.763,71 7.92,72 50.821,73 12.07,74 0.66,75 1.454,76 29.173,77 7.787,78 55.386,79 12.528,80 0.621,81 1.437,82 28.348,83 7.307,84 45.326,85 11.816,86 0.783,87 1.481,88 26.797,89 8.049,90 58.851,91 11.971,92 0.479,93 1.427,94 27.711,95 8.777,96 40.056,97 13.273,98 0.754,99 1.271,100 30.723,101 7.291,102 69.512,103 11.592,104 16,105 45,106 0.28,107 0.622,108 0.787,109 0.827,110 0.833,111 0.833,112 3.441,113 0.884,114 -1.83,115 -1.89,116 -1.9,119 35.2,121 1,124 1,125 6,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,174 3,175 4,177 2,178 3,180 1,186 6,187 1,190 1,198 3,199 2,202 2,204 1,209 1,211 3,212 2,223 7,224 1,226 1,227 3,236 3,237 2,239 1,240 1,242 1,249 1,250 2,252 1,253 1,262 5,265 1,266 4,271 1,275 1532,276 20.646,277 20.646,278 20.646,279 20.646,280 20.646,281 18.763,282 22.791,283 12.584,284 21.494,285 16.307,286 16.307,287 16.307,288 16.307,289 16.307,290 13.289,291 27.084,292 6.026,293 17.561,294 4.065,295 1.995,296 0.996,297 0.755,298 0.718,299 0.718,300 4.139,304 1,305 1,306 773,307 3.464,310 67.333,311 262.041,314 124.145,318 1.8,319 33.115,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 67,331 360,332 4.651,333 3.575,334 6.764,335 4.171,336 3.236,337 4.59,338 1.058,339 11.15,340 3.03,341 4.179,342 3.289,343 6.12,344 3.783,345 2.81,346 3.791,347 0.86,348 8.988,349 2.736,350 3.987,351 2.843,352 6.056,353 3.664,354 2.711,355 3.402,356 0.86,357 8.722,358 2.584,359 3.672,360 2.679,361 5.647,362 3.309,363 2.379,364 3.045,365 0.8,366 7.335,367 2.2,368 3.598,369 2.359,370 5.044,371 3.162,372 2.24,373 2.892,375 6.087,376 2.055,377 3.015,378 2.247,379 4.696,380 2.73,381 1.805,382 2.155,384 4.833,385 1.67,386 2.962,387 2.22,388 4.408,389 2.656,390 1.738,391 2.085,393 4.267,394 1.587,395 2.786,396 1.71,397 4.152,398 2.424,399 1.476,400 1.821,402 3.724,403 1.394,404 2.59,405 1.592,406 3.755,407 2.178,408 1.264,409 1.565,411 2.98,412 1.148,413 2.5,414 1.545,415 3.631,416 2.105,417 1.233,418 1.5,420 2.926,421 1.069,422 2.385,423 1.371,424 3.414,425 1.952,426 1,427 1.372,428 2.275,429 0.946,430 2.034,431 1.256,432 3.398,433 1.917,434 1,435 1,436 2.136,437 0.916,438 2,439 1,440 3.247,441 1.781,442 0.843,443 0.957,445 1.641,446 0.776,447 1.939,448 0.702,449 2.947,450 1.468,451 0.551,452 0.749,454 1.532,455 0.504,456 1.212,457 0.63,458 2.746,459 1.02,460 0.08,461 0.087,463 0.131,464 0.074,465 13.7,466 0.457,467 0.606,468 0.02,469 38.5,470 1.283,471 16.5,472 0.55,473 22,474 0.733,475 24.362,476 0.812,477 33.7,478 0.624,479 30.647,480 1.022,481 7.753,482 0.258,483 6.899,484 0.23,485 0.09,487 0.314,493 0.928,494 1.777,495 0.761,496 1.347,497 0.733,498 1.053,499 1.245,500 1.045,501 0.925,502 0.853,503 0.73,504 0.832,505 0.939,506 1.038,507 0.927,508 0.958,509 0.833,510 0.947,511 0.885,512 1.136,513 0.925,514 0.996,515 1.134,516 0.968,517 0.963,518 0.993,519 0.877,520 0.824,521 0.988,522 0.81,523 0.812,524 1.01,525 1.03,526 1.073,527 1.072,528 1.09,529 0.769,530 1.256,531 0.97,532 1.327,533 0.847,534 1.208,535 1.388,536 1.075,537 1.114,538 1.008,539 1.798,540 1.003,541 5,542 0.131,543 3.111,544 1.507,545 1.543,546 1.212,547 0.813,548 0.441,549 0.339,550 0.233,551 11370,552 32822,553 2.107,554 44.4,556 15,557 2,558 2,559 3,562 2,564 1.734,565 2,566 3.493,567 0.999,569 1,573 91.259,574 1.69,575 3.759,576 4.759,577 5,578 5.037,579 5.037,580 3.041,581 4.348,582 4.865,583 3.654,584 1589.31,585 8.526,586 21878.9,588 1,591 310.764,592 1.295,593 4.851,594 0.152,595 0.006,596 0.069,597 0.033,598 0.035,599 0.026,600 0.017,601 0.011,602 0.009,603 0.008,604 0.366,605 0.33,606 0.88,607 1.477,608 153.41,609 -0.109,610 -0.46,611 0.064,612 -0.211,613 -0.06,614 -0.056,615 -0.119,616 0.077,617 0.022,618 0.143,619 0.036,620 0.107,622 0.037,623 0.016,624 0.05,625 0.041,626 0.03,627 -0.01,628 -0.09,629 0.028,630 -0.009,631 -0.088,632 0.011,633 -0.091,634 0.068,635 0.076,636 0.152,637 -0.063,638 0.16,639 0.137,640 0.131,641 -0.111,642 -0.052,643 0.058,644 -0.125,645 0.034,646 -0.187,647 -0.051,648 -0.272,649 -0.003,650 -0.191,651 -0.212,652 -0.125,653 -0.101,654 -0.068,655 -0.216,656 -0.058,657 1.903,658 5.542,659 0.7,660 34.276,661 1.016,662 1.147,663 0.599,664 0.359,665 0.639,666 3.526,667 3.829,668 4.111,669 4.394,670 4.691,671 4.86,672 5.063,673 5.252,674 5.371,675 5.455,676 6.777,677 0.621,678 412.51,679 3.526,680 5.056,681 5.905,682 6.781,683 7.66,684 8.551,685 9.445,686 10.347,687 11.25,688 12.158,689 14.8,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,718 1,722 1,726 1,731 54,733 17,735 33,737 57,738 19,739 10,742 1,746 4,747 5,758 1,761 11,762 8,766 1,771 1,775 1,778 1,781 24,782 10,783 3,784 11,787 1,790 8,794 0.75,795 3,802 1,806 1,811 1,812 3,815 1,839 2,840 3,844 1,848 30,849 1,854 7,855 1,856 2,859 1,870 5.6,873 1,874 2,877 15,878 9.867,879 6.722,880 3.117,881 3.001,882 1.387,883 0.979,884 6.498,885 10.764,886 3.761,887 4.341,888 4.958,889 5.589,890 6.203,891 6.664,892 7.152,893 7.645,894 7.997,895 8.35,896 1,897 46,898 11.07,900 4.648,901 7.789,902 20.976,904 16.781,905 2.289,906 68.667,910 247.193,911 89.048,912 122.461,914 47.145,917 89.048,918 294.338,919 122.461,920 10.883,921 40.64,922 50.992,923 144.249,924 31.205,925 27.769,926 200.109,928 247.193,929 211.508,930 47.145,933 223.651,934 48.687,935 22,937 69.149,938 75.218,939 67.142,941 247.193,942 169.606,943 89.048,946 247.193,947 41.975,948 51.484,949 18.011,950 147.184,951 247.193,952 169.606,953 89.048,955 0.568,956 0.326,957 0.174,958 0.103,959 21,960 9,961 0.123,962 7,963 1,964 1.095,965 4.145,966 270.23,967 0.095,968 21,969 139.207,974 20.629,975 9.45,976 4.763,977 0.61,978 168.319,979 6.761,980 17.468,984 2.595,986 50.908,987 505.846,988 42,993 12.542,997 -0.236,999 54.865,1000 61.936,1001 0.294,1002 0.653,1003 0.827,1004 0.869,1005 0.875,1006 0.875,1007 4.99,1008 1.476,1009 5.872,1010 4.267,1011 4.511,1012 5.027,1013 1.968,1014 6.676,1015 4.378,1016 6.176,1017 1.264,1018 7.42,1019 3.724,1020 4.007,1021 4.844,1022 0.325,1023 7.554,1024 3.853,1025 7.477,1026 1.233,1027 9.072,1028 2.98,1029 6.084,1030 7.243,1031 1.818,1032 10.69,1033 5.839,1034 8.819,1035 1,1036 10.788,1037 2.926,1038 6.447,1039 7.954,1040 0.268,1041 12.436,1042 6.18,1043 10.2,1044 1,1045 12.546,1046 2.275,1047 7.96,1048 9.815,1049 1.74,1050 15.076,1051 7.611,1052 11.608,1053 0.843,1054 14.332,1055 2.136,1056 8.731,1057 10.939,1058 0.188,1059 17.181,1060 8.348,1061 13.036,1062 0.551,1063 16.139,1064 1.641,1065 10.014,1066 12.587,1067 1.707,1068 19.653,1069 9.558,1070 3.236,1071 0.08,1072 17.961,1073 1.532,1074 10.982,1075 13.914,1076 0.125,1077 21.917,1078 10.479,1079 2.81,1080 11.15,1081 19.795,1082 0.131,1083 12.174,1084 15.477,1085 1.708,1086 24.334,1087 11.602,1088 2.711,1089 8.988,1090 21.638,1091 4.59,1092 13.238,1093 16.902,1094 0.082,1095 26.671,1096 12.609,1097 2.379,1098 8.722,1099 23.489,1100 3.791,1101 14.399,1102 18.433,1103 1.735,1104 29.072,1105 13.702,1106 2.24,1107 7.335,1108 25.347,1109 3.402,1110 15.51,1111 19.906,1112 0.054,1113 31.445,1114 14.749,1115 1.805,1116 6.087,1117 27.21,1118 3.045,1119 16.662,1120 21.426,1121 1.783,1122 33.844,1123 15.833,1124 1.738,1125 4.833,1126 29.079,1127 2.892,1128 17.797,1129 22.923,1130 0.035,1131 36.234,1132 16.902,1133 11014,1134 18847,1135 22.364,1136 34.5,1137 48.958,1138 50.547,1139 50.231,1140 48.732,1141 48.733,1142 62.02,1143 7.157,1144 137.449,1145 45.377,1146 5.651,1147 5.575,1148 6.7,1149 5.275,1150 5.236,1151 7.59,1152 2.117,1153 18.398,1154 4.918,1155 12.904,1156 1.484,1157 1.532,1158 1.522,1159 1.477,1160 1.477,1161 1.879,1162 0.217,1163 4.165,1164 1.375,1165 4.139,1166 4.19,1167 4.119,1168 3.959,1169 7.429,1170 3.994,1171 3.817,1172 3.873,1173 3.783,1174 3.646,1175 5.243,1176 3.674,1177 3.743,1178 3.799,1179 3.635,1180 3.52,1181 5.056,1182 3.538,1183 3.681,1184 3.745,1185 3.548,1186 3.474,1187 4.635,1188 3.479,1189 3.425,1190 3.468,1191 3.343,1192 3.188,1193 4.623,1194 3.223,1195 3.23,1196 3.306,1197 3.101,1198 2.956,1199 4.611,1200 2.974,1201 3.111,1202 3.206,1203 2.932,1204 2.941,1205 4.337,1206 2.91,1207 3.062,1208 3.143,1209 2.867,1210 2.824,1211 4.08,1212 2.843,1213 0.141,1214 0.108,1215 0.205,1216 0.126,1217 0.098,1218 4.651,1219 0.139,1220 3.575,1221 0.032,1222 6.764,1223 0.338,1224 4.171,1225 0.092,1226 3.236,1227 4.59,1228 1.058,1229 11.15,1230 3.03,1231 1.919,1232 1.875,1233 1.99,1234 2.109,1235 1.218,1236 2.076,1237 1.709,1238 1.654,1239 1.902,1240 1.935,1241 1.186,1242 1.92,1243 1.668,1244 1.613,1245 1.878,1246 1.9,1247 1.018,1248 1.897,1249 1.584,1250 1.525,1251 1.706,1252 1.83,1253 0.825,1254 1.802,1255 1.458,1256 1.421,1257 1.607,1258 1.693,1259 0.728,1260 1.664,1261 1.192,1262 1.11,1263 1.513,1264 1.49,1265 0.634,1266 1.506,1267 1.153,1268 1.064,1269 1.512,1270 1.376,1271 0.55,1272 1.429,1273 1.006,1274 0.932,1275 1.264,1276 1.311,1277 0.429,1278 1.303,1279 4.205,1281 5.509,1282 2.398,1283 7.013,1284 4.727,1285 8.612,1286 6.862,1287 10.266,1289 1.633,1293 5.605,1295 4.433,1296 2.864,1297 10.474,1300 2.105,1305 33.53,1306 91.259,1307 203.012,1308 256.989,1309 270.009,1310 272.009,1311 272.009,1312 48.46,1313 7.763,1314 132.79,1315 132.79,1316 23,1317 12.677,1318 4.17,1319 3.322,1320 46.79,1321 120,1322 163,1323 0.193,1324 206.375,1325 348.37,1326 495.316,1327 23138,1329 20.924,1330 0.697,1331 0.558,1332 20.924,1333 16.745,1334 14.652,1335 0.444,1336 0.295,1337 9.483,1338 13.723,1339 9.333,1340 7.684,1341 14.652,1342 9.729,1343 12.795,1344 0.284,1345 0.152,1346 12.795,1347 6.838,1348 10.817,1349 0.18,1350 0.079,1351 10.817,1352 4.742,1353 8.847,1354 0.111,1355 0.04,1356 8.847,1357 3.197,1358 7.538,1359 0.07,1360 0.02,1361 7.538,1362 2.183,1363 0.3,1364 94.315,1365 0.211,1366 28.24,1367 0.542,1368 156,1369 520.722,1370 178.71,1371 488.66,1372 664.9,1373 460,1374 183,1375 483.437,1376 207.157,1377 485.602,1378 713.5,1379 454,1380 7.585}
{0 CHEMBL2058168,1 1.665,2 12.094,3 0.571,4 0.326,5 118.048,6 7.561,7 0.444,8 4.194,9 4.324,10 3.771,11 3.63,12 5.287,13 3.646,14 4.767,15 4.949,16 4.151,17 4.052,18 5.845,19 4.043,20 5.047,21 5.276,22 4.187,23 4.2,24 6.083,25 4.146,26 5.05,27 5.301,28 4.118,29 4.145,30 6.054,31 4.082,32 4.951,33 5.196,34 4.138,35 4.092,36 5.998,37 4.062,38 4.885,39 5.066,40 4.187,41 4.134,42 6.065,43 4.109,44 4.947,45 5.163,46 4.107,47 4.125,48 6.048,49 4.069,50 4.942,51 5.178,52 4.009,53 4.009,54 6.027,55 3.964,56 0.125,57 0.941,58 12.188,59 4.414,60 15.702,61 6.327,62 0.496,63 1.48,64 24.363,65 7.754,66 40.041,67 11.227,68 0.778,69 1.732,70 35.163,71 10.291,72 71.156,73 15.527,74 0.702,75 1.678,76 36.147,77 9.839,78 71.475,79 15.662,80 0.723,81 1.569,82 32.705,83 8.461,84 62.927,85 13.468,86 0.708,87 1.603,88 27.675,89 8.538,90 60.921,91 12.32,92 0.562,93 1.596,94 30.531,95 9.439,96 65.88,97 14.256,98 0.668,99 1.459,100 32.275,101 8.262,102 68.506,103 13.007,104 10,105 51,106 0.271,107 0.633,108 0.784,109 0.812,110 0.818,111 0.818,112 3.503,113 0.905,114 -2.28,115 -2.32,116 -2.28,119 36.2,121 4,125 4,127 2,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,172 2,174 3,175 3,177 2,178 3,180 4,183 2,186 6,187 1,190 1,192 4,195 2,198 3,199 3,202 1,204 1,209 1,211 3,212 5,216 1,223 6,224 4,226 1,227 3,236 2,237 4,239 1,240 2,242 1,250 4,252 1,253 2,262 5,263 4,265 1,266 5,271 2,275 1730,276 21.825,277 21.825,278 21.825,279 21.825,280 21.825,281 19.943,282 23.293,283 12.853,284 22.513,285 17.807,286 17.807,287 17.807,288 17.807,289 17.807,290 14.8,291 29.216,292 6.204,293 18.939,294 4.193,295 1.962,296 1.034,297 0.862,298 0.828,299 0.828,300 4.212,304 1,305 1,306 854,307 3,310 70.197,311 386.974,314 130.374,318 1.787,319 38.926,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.68,330 71,331 387,332 4.652,333 3.589,334 6.764,335 4.173,336 3.237,337 4.59,338 1.058,339 11.151,340 3.032,341 4.182,342 3.291,343 6.125,344 3.807,345 2.833,346 3.791,347 0.86,348 9.012,349 2.758,350 4.002,351 2.844,352 6.071,353 3.694,354 2.736,355 3.409,356 0.8,357 8.783,358 2.619,359 3.689,360 2.738,361 5.682,362 3.535,363 2.579,364 3.045,366 7.601,367 2.469,368 3.648,369 2.67,370 5.366,371 3.295,372 2.36,373 2.913,375 6.864,376 2.193,377 3.511,378 2.362,379 5.044,380 3.165,381 2.241,382 2.572,384 6.087,385 2.059,386 3.074,387 2.29,388 4.89,389 2.96,390 2.008,391 2.168,393 5.666,394 1.903,395 3.013,396 2.239,397 4.693,398 2.675,399 1.768,400 2.101,402 4.826,403 1.6,404 2.909,405 1.702,406 4.398,407 2.413,408 1.458,409 2.017,411 4.197,412 1.387,413 2.56,414 1.545,415 3.981,416 2.107,417 1.235,418 1.5,420 3.019,421 1.07,422 2.5,423 1.371,424 3.751,425 2.048,426 1.072,427 1.496,428 2.925,429 1.035,430 2.384,431 1.256,432 3.414,433 2,434 1,435 1.366,436 2.275,437 1,438 2,439 1,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.398,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.939,457 0.673,458 3.247,459 1.468,460 0.552,461 0.75,463 1.602,464 0.505,465 14.7,466 0.459,467 0.78,468 0.024,469 39.75,470 1.242,471 16.5,472 0.516,473 23.25,474 0.727,475 29.112,476 0.91,477 35.7,478 0.616,479 31.289,480 0.978,481 7.424,482 0.232,483 8.139,484 0.254,485 0.073,487 0.361,493 0.935,494 1.635,495 0.78,496 1.226,497 0.801,498 1.001,499 0.975,500 1.174,501 0.899,502 1.048,503 0.653,504 0.973,505 0.972,506 1.015,507 0.967,508 0.984,509 0.89,510 0.983,511 0.919,512 1.082,513 0.92,514 0.981,515 1.056,516 0.951,517 1.017,518 0.886,519 0.834,520 0.723,521 1.095,522 0.724,523 1.039,524 1.091,525 1.111,526 1.116,527 1.289,528 1.128,529 0.837,530 1.223,531 1.015,532 1.243,533 0.777,534 1.168,535 1.241,536 1.124,537 1.065,538 1.039,539 1.26,540 1.013,541 6.5,542 0.153,543 3.556,544 1.632,545 1.965,546 1.219,547 0.908,548 0.528,549 0.373,550 0.319,551 14315,552 38211,553 2.154,554 44.8,556 10,557 2,558 2,559 4,561 8,564 1.75,565 2.043,566 3.53,567 1.663,569 1,573 96.558,574 1.665,575 3.896,576 4.823,577 4.996,578 5.03,579 5.03,580 3.016,581 4.5,582 4.965,583 3.683,584 1826.55,585 8.717,586 26228.8,588 1,591 339.763,592 1.317,593 4.943,594 0.181,595 0.005,596 0.07,597 0.032,598 0.042,599 0.024,600 0.018,601 0.011,602 0.009,603 0.009,604 0.401,605 0.17,606 0.75,607 0.476,608 166.801,609 -0.123,610 -0.329,611 0.05,612 -0.093,613 -0.085,615 -0.018,616 -0.007,617 0.011,618 -0.006,619 0.06,620 -0.001,621 -0.009,622 0.012,623 -0.004,624 0.015,625 0.002,627 -0.027,628 -0.096,629 0.058,630 -0.007,631 -0.077,632 0.034,633 -0.05,634 0.129,635 0.15,636 0.234,637 -0.056,638 0.24,639 0.002,640 0.076,641 -0.191,642 -0.098,643 -0.109,644 -0.178,645 0.025,646 -0.151,647 -0.084,648 -0.216,649 0.061,650 -0.174,651 -0.156,652 -0.132,653 -0.071,654 -0.085,655 -0.086,656 -0.06,657 1.889,658 5.907,659 0.844,660 35.137,661 1.013,662 1.144,663 1.049,664 1.101,665 0.642,666 3.611,667 3.951,668 4.234,669 4.522,670 4.828,671 4.956,672 5.159,673 5.366,674 5.497,675 5.624,676 6.956,677 0.622,678 438.55,679 3.611,680 5.165,681 6.023,682 6.909,683 7.789,684 8.683,685 9.575,686 10.475,687 11.375,688 12.279,689 13.8,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,718 1,722 1,726 1,731 58,733 17,735 36,737 62,738 21,739 10,742 1,746 5,747 6,755 6,758 6,761 11,762 10,766 1,771 1,775 1,778 1,781 26,782 10,783 4,784 11,787 1,790 8,794 0.8,795 3,797 1,802 1,806 1,811 1,812 4,815 1,838 1,839 1,840 4,848 32,849 1,853 1,854 8,855 1,856 1,858 2,859 1,870 5.2,871 1,873 1,874 1,877 15.667,878 10.067,879 6.889,880 3.558,881 2.941,882 1.362,883 0.972,884 6.022,885 11.075,886 3.829,887 4.416,888 5.013,889 5.633,890 6.239,891 6.686,892 7.177,893 7.676,894 8.035,895 8.402,896 1,897 51,898 11.885,900 5.204,901 7.792,902 22.691,904 19.18,905 2.292,906 73.333,910 258.964,911 79.07,912 122.461,914 78.828,917 79.07,918 337.792,919 122.461,921 41.545,922 93.675,923 133.249,924 31.205,925 27.769,926 211.88,928 258.964,929 201.531,930 78.828,933 164.795,934 119.314,935 53.683,937 70.054,938 64.334,939 67.142,941 258.964,942 201.289,943 79.07,946 258.964,947 42.88,948 40.6,949 18.011,950 178.867,951 258.964,952 201.289,953 79.07,955 0.586,956 0.336,957 0.179,958 0.108,959 26,960 11,961 0.065,962 4,963 1,964 1.074,965 4.321,966 306.053,967 0.074,968 27,969 148,974 21.222,975 9.08,976 4.62,977 0.608,978 200.003,979 6.786,980 17.586,984 2.585,986 93.591,987 539.323,988 45,993 12.907,997 -0.222,999 58.749,1000 66.351,1001 0.284,1002 0.665,1003 0.823,1004 0.853,1005 0.859,1006 0.859,1007 5.088,1008 1.768,1009 6.009,1010 5.666,1011 4.635,1012 5.103,1013 1.737,1014 6.819,1015 4.519,1016 6.277,1017 1.458,1018 7.564,1019 4.826,1020 4.205,1021 4.934,1022 0.325,1023 7.687,1024 4.049,1025 7.58,1026 1.235,1027 9.215,1028 4.197,1029 6.229,1030 7.29,1031 1.622,1032 10.8,1033 6.008,1034 8.917,1035 1.072,1036 10.925,1037 3.019,1038 6.608,1039 7.991,1040 0.268,1041 12.511,1042 6.346,1043 10.29,1044 1,1045 12.671,1046 2.925,1047 8.098,1048 9.838,1049 1.587,1050 15.142,1051 7.776,1052 11.688,1053 1,1054 14.445,1055 2.275,1056 8.86,1057 10.954,1058 0.188,1059 17.224,1060 8.49,1061 13.107,1062 1,1063 16.239,1064 2.275,1065 10.132,1066 12.598,1067 1.592,1068 19.69,1069 9.703,1070 3.237,1071 0.552,1072 18.049,1073 2.136,1074 11.086,1075 13.92,1076 0.125,1077 21.943,1078 10.6,1079 2.833,1080 11.151,1081 19.871,1082 1.602,1083 12.27,1084 15.481,1085 1.624,1086 24.355,1087 11.724,1088 2.736,1089 9.012,1090 21.704,1091 4.59,1092 13.321,1093 16.905,1094 0.082,1095 26.687,1096 12.713,1097 2.579,1098 8.783,1099 23.546,1100 3.791,1101 14.474,1102 18.435,1103 1.676,1104 29.086,1105 13.803,1106 2.36,1107 7.601,1108 25.396,1109 3.409,1110 15.575,1111 19.907,1112 0.054,1113 31.455,1114 14.838,1115 2.241,1116 6.864,1117 27.253,1118 3.045,1119 16.721,1120 21.427,1121 1.742,1122 33.853,1123 15.919,1124 2.008,1125 6.087,1126 29.115,1127 2.913,1128 17.849,1129 22.924,1130 0.035,1131 36.241,1132 16.978,1133 13347,1134 21970,1135 24.561,1136 37.262,1137 54.624,1138 55.836,1139 55.481,1140 54.342,1141 54.293,1142 67.584,1143 5.437,1144 157.142,1145 51.108,1146 5.652,1147 5.589,1148 6.566,1149 5.276,1150 5.237,1151 7.59,1152 2.117,1153 18.399,1154 5.032,1155 13.286,1156 1.517,1157 1.551,1158 1.541,1159 1.51,1160 1.508,1161 1.877,1162 0.151,1163 4.365,1164 1.42,1165 4.142,1166 4.193,1167 4.121,1168 3.962,1169 7.429,1170 3.996,1171 3.877,1172 3.931,1173 3.788,1174 3.743,1175 6.449,1176 3.738,1177 3.813,1178 3.87,1179 3.746,1180 3.642,1181 5.243,1182 3.668,1183 3.738,1184 3.795,1185 3.626,1186 3.514,1187 5.056,1188 3.532,1189 3.45,1190 3.493,1191 3.394,1192 3.22,1193 4.623,1194 3.258,1195 3.207,1196 3.277,1197 3.114,1198 2.983,1199 4.612,1200 3.002,1201 3.111,1202 3.206,1203 2.931,1204 2.941,1205 4.344,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.238,1212 2.91,1213 0.129,1214 0.1,1215 0.188,1216 0.116,1217 0.09,1218 4.652,1219 0.128,1220 3.589,1221 0.029,1222 6.764,1223 0.31,1224 4.173,1225 0.084,1226 3.237,1227 4.59,1228 1.058,1229 11.151,1230 3.032,1231 1.92,1232 1.875,1233 2.072,1234 2.109,1235 1.456,1236 2.076,1237 1.865,1238 1.814,1239 1.989,1240 2.032,1241 1.218,1242 2.046,1243 1.708,1244 1.654,1245 1.879,1246 1.934,1247 1.018,1248 1.918,1249 1.594,1250 1.541,1251 1.707,1252 1.835,1253 0.825,1254 1.805,1255 1.491,1256 1.456,1257 1.581,1258 1.715,1259 0.825,1260 1.677,1261 1.157,1262 1.093,1263 1.513,1264 1.415,1265 0.771,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.718,1272 1.429,1273 1.153,1274 1.064,1275 1.399,1276 1.376,1277 0.533,1278 1.41,1279 4.29,1281 5.624,1282 2.398,1283 7.149,1284 4.727,1285 8.759,1286 6.862,1287 10.414,1293 5.625,1294 9.698,1295 5.508,1296 3.054,1297 5.484,1299 -0.216,1300 2.109,1305 36.057,1306 96.558,1307 225.949,1308 279.763,1309 289.763,1310 291.763,1311 291.763,1312 57.227,1313 8.134,1314 143.79,1315 143.79,1316 29,1317 12.799,1318 4.17,1319 3.322,1320 45.484,1321 134,1322 154,1323 0.168,1324 218.167,1325 370.61,1326 524.086,1327 37705,1329 22.079,1330 0.69,1331 0.551,1332 22.079,1333 17.645,1334 15.564,1335 0.432,1336 0.302,1337 10.645,1338 14.738,1339 10.529,1340 8.6,1341 15.564,1342 10.859,1343 14.308,1344 0.281,1345 0.161,1346 14.308,1347 8.215,1348 12.144,1349 0.179,1350 0.088,1351 12.144,1352 5.963,1353 10.001,1354 0.11,1355 0.046,1356 10.001,1357 4.168,1358 8.758,1359 0.071,1360 0.025,1361 8.758,1362 3.04,1363 0.261,1364 99.108,1365 0.202,1366 29.724,1367 0.47,1368 174,1369 527.137,1370 196.933,1371 500.487,1372 685.96,1373 470,1374 206,1375 508.264,1376 230.158,1377 508.104,1378 750.93,1379 479,1380 7.155}
{0 CHEMBL2058169,1 1.675,2 12.97,3 -0.224,4 0.05,5 122.459,6 7.559,7 0.432,8 4.23,9 4.363,10 3.813,11 3.628,12 5.305,13 3.655,14 4.809,15 5.004,16 4.16,17 4.022,18 5.866,19 4.029,20 5.015,21 5.241,22 4.184,23 4.178,24 6.032,25 4.132,26 5.025,27 5.268,28 4.119,29 4.163,30 5.993,31 4.092,32 5.027,33 5.291,34 4.132,35 4.121,36 5.983,37 4.074,38 4.942,39 5.152,40 4.194,41 4.144,42 6.05,43 4.108,44 4.959,45 5.17,46 4.127,47 4.121,48 6.027,49 4.075,50 4.963,51 5.19,52 4.046,53 4.004,54 6.1,55 3.974,56 0.122,57 0.968,58 12.659,59 4.244,60 9.784,61 6.406,62 0.654,63 1.471,64 26.469,65 6.942,66 38.94,67 10.623,68 0.864,69 1.687,70 33.957,71 9.525,72 55.687,73 14.612,74 0.599,75 1.679,76 34.155,77 9.82,78 51.936,79 15.825,80 0.797,81 1.62,82 36.046,83 8.764,84 53.906,85 14.744,86 0.79,87 1.613,88 30.456,89 9.022,90 50.605,91 13.608,92 0.552,93 1.561,94 31.08,95 9.582,96 48.9,97 14.276,98 0.806,99 1.443,100 33.065,101 7.789,102 80.42,103 12.557,104 5,105 51,106 0.271,107 0.581,108 0.704,109 0.782,110 0.814,111 0.814,112 3.532,113 0.897,114 -1.56,115 -1.64,116 -1.67,119 35,125 10,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,174 3,175 3,177 2,178 3,186 7,187 1,190 2,198 3,199 1,202 1,204 1,209 1,211 4,212 1,223 7,226 1,227 4,236 3,237 2,239 1,240 1,242 1,249 1,252 1,253 1,262 8,265 1,266 4,275 1974,276 22.792,277 22.792,278 22.792,279 22.792,280 22.792,281 20.91,282 26.385,283 13.702,284 23.723,285 18.324,286 18.324,287 18.324,288 18.324,289 18.324,290 15.307,291 32.397,292 6.602,293 19.778,294 4.232,295 2.312,296 1.55,297 1.067,298 0.867,299 0.867,300 4.243,304 1,305 1,306 945,307 3.24,310 74.534,311 414.052,314 138.406,318 1.974,319 35.569,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 73.5,331 428,332 4.651,333 3.575,334 6.764,335 4.171,336 3.236,337 4.59,338 1.058,339 11.15,340 3.03,341 4.179,342 3.289,343 6.12,344 3.784,345 2.81,346 3.791,347 0.86,348 8.988,349 2.736,350 3.987,351 2.885,352 6.056,353 3.665,354 2.712,355 3.402,356 0.86,357 8.722,358 2.584,359 3.673,360 2.843,361 5.648,362 3.435,363 2.521,364 3.045,365 0.8,366 7.339,367 2.302,368 3.602,369 2.679,370 5.339,371 3.302,372 2.372,373 2.893,374 0.8,375 6.96,376 2.193,377 3.512,378 2.359,379 5.044,380 3.16,381 2.237,382 2.518,384 6.087,385 2.053,386 3.014,387 2.246,388 4.696,389 2.692,390 1.784,391 2.153,393 4.833,394 1.617,395 2.953,396 2.176,397 4.407,398 2.511,399 1.599,400 2.083,402 4.257,403 1.461,404 2.694,405 1.708,406 4.136,407 2.397,408 1.469,409 1.723,411 3.603,412 1.354,413 2.518,414 1.545,415 3.754,416 2.193,417 1.282,418 1.5,420 3.096,421 1.158,422 2.5,423 1.521,424 3.643,425 2.105,426 1.234,427 1.499,428 2.941,429 1.069,430 2.385,431 1.371,432 3.414,433 1.952,434 1,435 1.372,436 2.275,437 0.946,438 2.043,439 1.256,440 3.399,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 1.256,449 3.247,450 1.917,451 1,452 1,454 2.136,455 0.916,456 2,457 1,458 3.247,459 1.788,460 0.81,461 0.945,463 1.861,464 0.781,465 15.1,466 0.458,467 0.674,468 0.02,469 41.25,470 1.25,471 16.5,472 0.5,473 24.75,474 0.75,475 28.491,476 0.863,477 37.1,478 0.618,479 33.184,480 1.006,481 8.252,482 0.25,483 7.918,484 0.24,485 0.049,487 0.311,493 0.929,494 1.821,495 0.761,496 1.359,497 0.715,498 1.061,499 1.269,500 1.086,501 0.963,502 0.888,503 0.71,504 0.864,505 0.982,506 0.927,507 0.994,508 0.918,509 0.806,510 0.958,511 0.737,512 1.234,513 0.924,514 1.159,515 1.006,516 1.089,517 0.925,518 0.89,519 0.836,520 0.736,521 0.913,522 0.746,523 0.828,524 0.961,525 0.983,526 1.036,527 0.995,528 1.038,529 1.018,530 1.23,531 1.011,532 1.273,533 1.484,534 1.166,535 1.408,536 1.178,537 1.125,538 1.056,539 2.013,540 1.034,541 5.5,542 0.163,543 3.333,544 1.569,545 1.534,546 1.247,547 0.915,548 0.445,549 0.37,550 0.245,551 16380,552 43822,553 2.168,554 45,556 20,557 2,558 2,559 3,564 1.755,565 2.084,566 3.62,567 0.952,569 1,573 100.509,574 1.675,575 3.595,576 4.357,577 4.84,578 5.04,579 5.04,580 3.121,581 4.62,582 5.007,583 3.806,584 2009.52,585 8.793,586 30151.6,588 1,591 354.413,592 1.182,593 4.999,594 0.149,595 0.006,596 0.065,597 0.031,598 0.033,599 0.025,600 0.018,601 0.009,602 0.009,603 0.007,604 0.352,605 0.33,606 0.75,607 0.398,608 175.27,609 -0.101,610 -0.492,611 0.075,612 -0.217,613 -0.042,614 -0.055,615 -0.141,616 0.056,617 -0.012,618 0.101,619 0.041,620 0.071,621 -0.003,622 0.131,623 -0.035,624 0.083,625 0.048,626 0.018,627 0.023,628 -0.202,629 0.017,630 -0.134,631 -0.031,632 -0.073,633 -0.033,634 0.092,635 0.152,636 0.215,637 -0.008,638 0.229,639 0.123,640 0.156,641 -0.047,642 -0.017,643 0.054,644 -0.064,645 -0.057,646 -0.17,647 -0.071,648 -0.219,649 -0.144,650 -0.16,651 -0.19,652 -0.188,653 -0.12,654 -0.106,655 -0.194,656 -0.095,657 1.878,658 5.818,659 0.818,660 40.275,661 1.014,662 1.147,663 0.332,664 0.11,665 0.638,666 3.638,667 3.951,668 4.234,669 4.511,670 4.796,671 4.927,672 5.124,673 5.313,674 5.442,675 5.549,676 7.503,677 0.618,678 453.57,679 3.638,680 5.176,681 6.028,682 6.903,683 7.777,684 8.663,685 9.55,686 10.444,687 11.34,688 12.241,689 15,692 1,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,718 1,722 1,726 1,731 60,733 17,735 37,737 64,738 21,739 10,742 1,746 5,747 6,761 11,762 10,766 1,771 1,775 1,778 1,781 27,782 11,783 3,784 12,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 2,840 4,848 33,849 1,854 10,855 1,856 2,859 2,870 5,873 1,874 2,877 15.833,878 10.567,879 7.222,880 3.583,881 2.938,882 1.361,883 0.998,884 6.757,885 11.075,886 3.85,887 4.416,888 5.013,889 5.626,890 6.227,891 6.677,892 7.162,893 7.653,894 8.008,895 8.366,896 0.889,897 51,898 12.221,900 5.22,901 7.717,902 23.426,904 19.238,905 2.217,906 73.167,910 282.506,911 86.539,912 125.585,914 47.145,917 86.539,918 329.651,919 125.585,921 49.015,922 50.992,923 144.249,924 34.329,925 27.769,926 235.422,928 282.506,929 212.125,930 47.145,933 282.506,934 25.145,935 22,937 80.648,938 64.334,939 67.142,941 282.506,942 172.73,943 86.539,946 282.506,947 50.35,948 43.725,949 18.011,950 147.184,951 282.506,952 172.73,953 86.539,955 0.576,956 0.332,957 0.179,958 0.104,959 25,960 10,961 0.094,962 6,963 1,964 1.074,965 4.496,966 311.569,967 0.074,968 27,969 154.465,974 22.133,975 10.075,976 5.131,977 0.621,978 171.443,979 6.823,980 17.611,984 2.636,986 50.908,987 541.776,988 46,993 12.818,997 -0.211,999 60.851,1000 68.85,1001 0.284,1002 0.609,1003 0.738,1004 0.819,1005 0.853,1006 0.853,1007 5.094,1008 1.599,1009 5.994,1010 4.833,1011 4.635,1012 5.103,1013 2.094,1014 6.788,1015 4.494,1016 6.267,1017 1.469,1018 7.535,1019 4.257,1020 4.111,1021 4.89,1022 0.57,1023 7.636,1024 3.942,1025 7.562,1026 1.282,1027 9.178,1028 3.603,1029 6.205,1030 7.282,1031 1.89,1032 10.761,1033 5.943,1034 8.894,1035 1.234,1036 10.884,1037 3.096,1038 6.538,1039 7.974,1040 0.479,1041 12.483,1042 6.255,1043 10.266,1044 1,1045 12.63,1046 2.941,1047 8.063,1048 9.831,1049 1.787,1050 15.113,1051 7.694,1052 11.664,1053 1,1054 14.406,1055 2.275,1056 8.805,1057 10.947,1058 0.346,1059 17.204,1060 8.406,1061 13.084,1062 1,1063 16.203,1064 2.136,1065 10.093,1066 12.594,1067 1.737,1068 19.67,1069 9.617,1070 3.236,1071 0.81,1072 18.016,1073 2.136,1074 11.039,1075 13.917,1076 0.237,1077 21.928,1078 10.521,1079 2.81,1080 11.15,1081 19.842,1082 1.861,1083 12.231,1084 15.479,1085 1.727,1086 24.341,1087 11.642,1088 2.712,1089 8.988,1090 21.678,1091 4.59,1092 13.279,1093 16.903,1094 0.158,1095 26.676,1096 12.638,1097 2.521,1098 8.722,1099 23.523,1100 3.791,1101 14.437,1102 18.433,1103 1.747,1104 29.075,1105 13.727,1106 2.372,1107 7.339,1108 25.375,1109 3.402,1110 15.538,1111 19.906,1112 0.104,1113 31.447,1114 14.768,1115 2.237,1116 6.96,1117 27.234,1118 3.045,1119 16.687,1120 21.426,1121 1.791,1122 33.845,1123 15.849,1124 1.784,1125 6.087,1126 29.098,1127 2.893,1128 17.816,1129 22.923,1130 0.068,1131 36.235,1132 16.914,1133 15209,1134 25056,1135 25.542,1136 38.267,1137 55.516,1138 56.866,1139 55.979,1140 55.235,1141 55.23,1142 68.522,1143 8.757,1144 155.946,1145 51.299,1146 5.651,1147 5.575,1148 6.566,1149 5.275,1150 5.236,1151 7.59,1152 2.117,1153 18.398,1154 4.919,1155 10.896,1156 1.5,1157 1.537,1158 1.513,1159 1.493,1160 1.493,1161 1.852,1162 0.237,1163 4.215,1164 1.386,1165 4.14,1166 4.191,1167 4.12,1168 3.959,1169 7.429,1170 3.994,1171 3.823,1172 3.885,1173 3.783,1174 3.647,1175 5.243,1176 3.674,1177 3.811,1178 3.871,1179 3.698,1180 3.594,1181 5.056,1182 3.61,1183 3.74,1184 3.797,1185 3.63,1186 3.516,1187 4.631,1188 3.534,1189 3.537,1190 3.597,1191 3.45,1192 3.295,1193 4.622,1194 3.322,1195 3.298,1196 3.358,1197 3.194,1198 3.1,1199 4.61,1200 3.114,1201 3.111,1202 3.206,1203 2.974,1204 2.941,1205 4.339,1206 2.91,1207 3.111,1208 3.206,1209 2.897,1210 2.941,1211 4.148,1212 2.91,1213 0.126,1214 0.097,1215 0.183,1216 0.113,1217 0.087,1218 4.651,1219 0.124,1220 3.575,1221 0.029,1222 6.764,1223 0.301,1224 4.171,1225 0.082,1226 3.236,1227 4.59,1228 1.058,1229 11.15,1230 3.03,1231 1.919,1232 1.875,1233 1.99,1234 2.109,1235 1.261,1236 2.076,1237 1.749,1238 1.685,1239 1.965,1240 1.996,1241 1.218,1242 1.99,1243 1.708,1244 1.653,1245 1.879,1246 1.934,1247 1.019,1248 1.918,1249 1.601,1250 1.551,1251 1.741,1252 1.84,1253 0.97,1254 1.811,1255 1.533,1256 1.485,1257 1.694,1258 1.787,1259 0.825,1260 1.762,1261 1.328,1262 1.264,1263 1.513,1264 1.545,1265 0.825,1266 1.541,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.725,1272 1.429,1273 1.153,1274 1.064,1275 1.497,1276 1.376,1277 0.548,1278 1.429,1279 4.317,1281 5.631,1282 2.398,1283 7.141,1284 4.727,1285 8.739,1286 6.862,1287 10.385,1293 5.633,1295 7.179,1296 2.974,1297 10.858,1300 4.391,1305 37.078,1306 100.509,1307 215.71,1308 261.394,1309 290.413,1310 302.413,1311 302.413,1312 50.594,1313 8.138,1314 136.03,1315 136.03,1316 29,1317 12.764,1318 4.17,1319 3.322,1320 47.717,1321 148,1322 168,1323 0.157,1324 224.961,1325 381.61,1326 540.664,1327 39678,1329 22.623,1330 0.686,1331 0.555,1332 22.623,1333 18.313,1334 16.17,1335 0.437,1336 0.299,1337 10.789,1338 15.158,1339 10.675,1340 8.694,1341 16.17,1342 11.059,1343 14.381,1344 0.282,1345 0.156,1346 14.381,1347 7.946,1348 12.3,1349 0.181,1350 0.085,1351 12.3,1352 5.748,1353 10.158,1354 0.113,1355 0.044,1356 10.158,1357 3.931,1358 8.609,1359 0.072,1360 0.022,1361 8.609,1362 2.693,1363 0.247,1364 103.826,1365 0.198,1366 30.816,1367 0.431,1368 176,1369 560.367,1370 201.456,1371 524.985,1372 718.92,1373 496,1374 207,1375 526.458,1376 234.458,1377 525.071,1378 776.16,1379 494,1380 7.724}
{0 CHEMBL2058170,1 1.686,2 11.355,3 -0.209,4 0.044,5 113.841,6 7.719,7 0.457,8 4.15,9 4.277,10 3.751,11 3.573,12 5.242,13 3.6,14 4.725,15 4.905,16 4.114,17 3.978,18 5.806,19 3.983,20 4.95,21 5.172,22 4.14,23 4.118,24 5.984,25 4.077,26 4.945,27 5.186,28 4.09,29 4.08,30 5.964,31 4.029,32 4.889,33 5.124,34 4.114,35 4.049,36 5.937,37 4.029,38 4.841,39 5.015,40 4.174,41 4.096,42 6.057,43 4.075,44 4.9,45 5.119,46 4.062,47 4.082,48 5.916,49 4.026,50 4.898,51 5.135,52 3.963,53 3.953,54 5.943,55 3.91,56 0.123,57 0.896,58 11.143,59 4.083,60 10.84,61 5.777,62 0.582,63 1.387,64 23.339,65 7.008,66 38.544,67 9.935,68 0.773,69 1.606,70 31.322,71 9.047,72 57.801,73 13.51,74 0.665,75 1.573,76 31.469,77 8.758,78 53.937,79 13.849,80 0.678,81 1.499,82 30.051,83 7.913,84 52.927,85 12.29,86 0.776,87 1.545,88 25.63,89 8.096,90 63.353,91 11.478,92 0.511,93 1.531,94 28.566,95 9.005,96 40.129,97 13.525,98 0.692,99 1.378,100 30.829,101 7.913,102 57.299,103 12.288,104 5,105 49,106 0.277,107 0.62,108 0.765,109 0.8,110 0.806,111 0.806,112 3.472,113 0.888,114 -2.06,115 -2.11,116 -2.09,119 36.4,121 2,125 6,127 1,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,174 3,175 5,177 2,178 3,180 2,183 1,186 6,187 1,190 1,198 3,199 3,202 2,204 1,209 1,211 3,212 3,223 7,224 2,226 1,227 3,236 3,237 2,239 1,240 1,242 1,249 1,250 4,252 1,253 1,262 5,265 1,266 4,271 2,275 1567,276 21.378,277 21.378,278 21.378,279 21.378,280 21.378,281 19.495,282 25.45,283 12.767,284 22.178,285 17.341,286 17.341,287 17.341,288 17.341,289 17.341,290 14.334,291 34.952,292 6.169,293 18.603,294 4.095,295 2.004,296 1.127,297 0.909,298 0.873,299 0.873,300 4.184,304 1,305 1,306 779,307 2.915,310 66.845,311 369.957,314 123.901,318 1.721,319 35.204,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 69,331 352,332 4.652,333 3.589,334 6.764,335 4.173,336 3.237,337 4.59,338 1.058,339 11.151,340 3.032,341 4.182,342 3.291,343 6.125,344 3.803,345 2.829,346 3.791,347 0.86,348 9.011,349 2.754,350 4.001,351 2.843,352 6.07,353 3.687,354 2.731,355 3.409,356 0.86,357 8.782,358 2.608,359 3.682,360 2.701,361 5.68,362 3.451,363 2.511,364 3.045,365 0.8,366 7.572,367 2.364,368 3.635,369 2.634,370 5.293,371 3.248,372 2.317,373 2.911,375 6.676,376 2.155,377 3.401,378 2.359,379 5.044,380 3.133,381 2.192,382 2.459,384 6.081,385 2.04,386 3.014,387 2.246,388 4.694,389 2.682,390 1.775,391 2.139,393 4.828,394 1.605,395 2.934,396 2.068,397 4.4,398 2.44,399 1.518,400 2.071,402 4.211,403 1.404,404 2.633,405 1.702,406 4.031,407 2.317,408 1.416,409 1.629,411 3.371,412 1.258,413 2.5,414 1.545,415 3.753,416 2.106,417 1.235,418 1.5,420 2.945,421 1.069,422 2.397,423 1.371,424 3.525,425 1.994,426 1.024,427 1.38,428 2.653,429 0.978,430 2.368,431 1.256,432 3.414,433 1.969,434 1,435 1.309,436 2.275,437 0.963,438 2,439 1.2,440 3.398,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.939,457 0.633,458 3.247,459 1.468,460 0.552,461 0.75,463 1.601,464 0.504,465 14.2,466 0.458,467 0.674,468 0.022,469 39.5,470 1.274,471 16.5,472 0.532,473 23,474 0.742,475 26.448,476 0.853,477 34.4,478 0.625,479 30.9,480 0.997,481 7.652,482 0.247,483 7.518,484 0.243,485 0.052,487 0.338,493 0.913,494 1.696,495 0.742,496 1.286,497 0.718,498 1.012,499 1.177,500 1.114,501 0.926,502 0.954,503 0.688,504 0.905,505 0.996,506 1.001,507 0.974,508 0.944,509 0.817,510 0.958,511 0.803,512 1.109,513 0.909,514 1.012,515 1.037,516 0.979,517 1.059,518 0.919,519 0.849,520 0.751,521 1.307,522 0.739,523 0.935,524 1.1,525 1.104,526 1.14,527 1.392,528 1.156,529 0.791,530 1.213,531 1.011,532 1.265,533 0.781,534 1.188,535 1.224,536 1.094,537 1.057,538 1.027,539 1.396,540 1.005,541 5.5,542 0.124,543 3.111,544 1.569,545 1.774,546 1.164,547 0.828,548 0.465,549 0.354,550 0.263,551 13090,552 35726,553 2.18,554 43.6,556 13,557 2,558 2,559 3,562 4,564 1.742,565 2.09,566 3.457,567 0.972,569 1,573 92.742,574 1.686,575 3.777,576 4.654,577 4.872,578 4.909,579 4.909,580 2.943,581 4.285,582 4.92,583 3.612,584 1679.47,585 8.63,586 23483.6,588 1,591 317.975,592 1.215,593 4.907,594 0.157,595 0.005,596 0.063,597 0.032,598 0.039,599 0.024,600 0.017,601 0.011,602 0.009,603 0.008,604 0.364,605 0.33,606 0.75,607 0.415,608 159.46,609 -0.106,610 -0.401,611 0.069,612 -0.169,613 -0.051,614 -0.031,615 -0.093,616 0.02,617 -0.003,618 0.055,619 0.054,620 0.037,621 -0.032,622 0.038,623 -0.017,624 0.048,625 0.029,626 0.015,627 0.023,628 -0.087,629 0.049,630 -0.031,631 -0.041,632 0.007,633 -0.103,634 0.105,635 0.125,636 0.216,637 -0.102,638 0.227,639 0.091,640 0.066,641 -0.203,642 -0.123,643 -0.024,644 -0.216,645 0.001,646 -0.146,647 -0.091,648 -0.239,649 -0.035,650 -0.189,651 -0.154,652 -0.125,653 -0.058,654 -0.074,655 -0.128,656 -0.044,657 1.86,658 5.847,659 0.871,660 32.83,661 1.016,662 1.144,663 0.826,664 0.683,665 0.645,666 3.584,667 3.912,668 4.205,669 4.5,670 4.796,671 4.927,672 5.136,673 5.347,674 5.481,675 5.595,676 6.683,677 0.628,678 424.52,679 3.584,680 5.13,681 5.989,682 6.872,683 7.753,684 8.647,685 9.539,686 10.44,687 11.341,688 12.247,689 14.5,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,718 1,722 1,726 1,731 55,733 17,735 35,737 59,738 20,739 10,742 1,746 5,747 6,755 3,758 3,761 11,762 9,766 1,771 1,775 1,778 1,781 24,782 10,783 3,784 11,787 1,790 8,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,839 2,840 4,848 31,849 1,854 8,855 1,856 2,858 1,859 1,870 5.5,873 1,874 2,877 14.833,878 9.7,879 6.722,880 3.325,881 2.954,882 1.367,883 1.001,884 5.787,885 11.006,886 3.807,887 4.391,888 5,889 5.626,890 6.231,891 6.681,892 7.173,893 7.673,894 8.032,895 8.396,896 0.875,897 49,898 11.486,900 4.975,901 7.742,902 21.952,904 18.285,905 2.242,906 69.5,910 247.193,911 83.186,912 122.461,914 47.145,917 83.186,918 294.338,919 122.461,921 45.661,922 50.992,923 144.249,924 31.205,925 27.769,926 200.109,928 247.193,929 205.647,930 47.145,933 200.109,934 72.229,935 22,937 74.17,938 64.334,939 67.142,941 247.193,942 169.606,943 83.186,946 247.193,947 46.996,948 40.6,949 18.011,950 147.184,951 247.193,952 169.606,953 83.186,955 0.58,956 0.335,957 0.184,958 0.108,959 25,960 10,961 0.068,962 4,963 1,964 1.074,965 4.26,966 293.887,967 0.074,968 27,969 141.58,974 20.277,975 8.848,976 4.384,977 0.624,978 168.319,979 6.828,980 17.597,984 2.652,986 50.908,987 499.984,988 44,993 12.847,997 -0.194,999 55.865,1000 62.936,1001 0.292,1002 0.653,1003 0.805,1004 0.843,1005 0.849,1006 0.849,1007 5.056,1008 1.518,1009 5.964,1010 4.828,1011 4.595,1012 5.078,1013 1.968,1014 6.772,1015 4.466,1016 6.24,1017 1.416,1018 7.514,1019 4.211,1020 4.111,1021 4.89,1022 0.325,1023 7.636,1024 3.961,1025 7.542,1026 1.235,1027 9.164,1028 3.371,1029 6.18,1030 7.274,1031 1.818,1032 10.766,1033 5.942,1034 8.88,1035 1.024,1036 10.875,1037 2.945,1038 6.538,1039 7.974,1040 0.268,1041 12.489,1042 6.28,1043 10.256,1044 1,1045 12.626,1046 2.653,1047 8.052,1048 9.83,1049 1.74,1050 15.125,1051 7.712,1052 11.658,1053 1,1054 14.405,1055 2.275,1056 8.809,1057 10.948,1058 0.188,1059 17.214,1060 8.437,1061 13.081,1062 1,1063 16.205,1064 2.136,1065 10.093,1066 12.594,1067 1.707,1068 19.682,1069 9.647,1070 3.237,1071 0.552,1072 18.02,1073 2.136,1074 11.048,1075 13.918,1076 0.125,1077 21.938,1078 10.556,1079 2.829,1080 11.151,1081 19.847,1082 1.601,1083 12.239,1084 15.48,1085 1.708,1086 24.352,1087 11.678,1088 2.731,1089 9.011,1090 21.684,1091 4.59,1092 13.292,1093 16.904,1094 0.082,1095 26.685,1096 12.675,1097 2.511,1098 8.782,1099 23.53,1100 3.791,1101 14.45,1102 18.434,1103 1.735,1104 29.084,1105 13.765,1106 2.317,1107 7.572,1108 25.383,1109 3.409,1110 15.553,1111 19.907,1112 0.054,1113 31.454,1114 14.806,1115 2.192,1116 6.676,1117 27.242,1118 3.045,1119 16.703,1120 21.427,1121 1.783,1122 33.852,1123 15.888,1124 1.775,1125 6.081,1126 29.106,1127 2.911,1128 17.833,1129 22.923,1130 0.035,1131 36.241,1132 16.952,1133 12147,1134 20222,1135 24.156,1136 35.5,1137 52.961,1138 54.376,1139 53.371,1140 52.652,1141 52.674,1142 65.968,1143 7.157,1144 150.858,1145 49.194,1146 5.652,1147 5.589,1148 6.566,1149 5.276,1150 5.237,1151 7.59,1152 2.117,1153 18.399,1154 4.921,1155 10.395,1156 1.513,1157 1.554,1158 1.525,1159 1.504,1160 1.505,1161 1.885,1162 0.204,1163 4.31,1164 1.406,1165 4.141,1166 4.192,1167 4.12,1168 3.96,1169 7.429,1170 3.995,1171 3.836,1172 3.887,1173 3.785,1174 3.667,1175 5.243,1176 3.684,1177 3.804,1178 3.861,1179 3.705,1180 3.627,1181 5.056,1182 3.642,1183 3.736,1184 3.793,1185 3.621,1186 3.512,1187 4.623,1188 3.53,1189 3.419,1190 3.456,1191 3.367,1192 3.192,1193 4.62,1194 3.23,1195 3.139,1196 3.213,1197 3.063,1198 2.941,1199 4.608,1200 2.91,1201 3.111,1202 3.206,1203 2.913,1204 2.941,1205 4.335,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.867,1211 3.996,1212 2.907,1213 0.133,1214 0.103,1215 0.193,1216 0.119,1217 0.092,1218 4.652,1219 0.131,1220 3.589,1221 0.03,1222 6.764,1223 0.319,1224 4.173,1225 0.087,1226 3.237,1227 4.59,1228 1.058,1229 11.151,1230 3.032,1231 1.919,1232 1.875,1233 2.002,1234 2.109,1235 1.344,1236 2.076,1237 1.792,1238 1.742,1239 1.989,1240 1.997,1241 1.218,1242 1.998,1243 1.708,1244 1.653,1245 1.879,1246 1.934,1247 1.018,1248 1.918,1249 1.591,1250 1.536,1251 1.706,1252 1.834,1253 0.825,1254 1.804,1255 1.471,1256 1.439,1257 1.55,1258 1.691,1259 0.825,1260 1.651,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.727,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.58,1272 1.429,1273 1.007,1274 0.937,1275 1.256,1276 1.316,1277 0.428,1278 1.305,1279 4.263,1281 5.587,1282 2.398,1283 7.109,1284 4.727,1285 8.717,1286 6.862,1287 10.373,1293 5.623,1295 5.549,1296 3.065,1297 10.852,1299 0.102,1300 2.119,1305 34.53,1306 92.742,1307 207.733,1308 255.975,1309 267.975,1310 269.975,1311 269.975,1312 48.229,1313 8.052,1314 132.79,1315 132.79,1316 29,1317 12.766,1318 4.17,1319 3.322,1320 43.358,1321 125,1322 132,1323 0.172,1324 208.574,1325 353.31,1326 500.681,1327 33922,1329 21.209,1330 0.684,1331 0.549,1332 21.209,1333 17.029,1334 15.17,1335 0.433,1336 0.296,1337 10.126,1338 14.268,1339 10.023,1340 8.168,1341 15.17,1342 10.361,1343 13.686,1344 0.279,1345 0.155,1346 13.686,1347 7.596,1348 11.733,1349 0.178,1350 0.083,1351 11.733,1352 5.487,1353 9.859,1354 0.111,1355 0.043,1356 9.859,1357 3.789,1358 8.467,1359 0.071,1360 0.022,1361 8.467,1362 2.654,1363 0.266,1364 97.168,1365 0.203,1366 28.888,1367 0.486,1368 168,1369 532.722,1370 191.708,1371 500.26,1372 686.8,1373 472,1374 199,1375 506.627,1376 224.154,1377 505.513,1378 748.1,1379 476,1380 7.676}
{0 CHEMBL2058171,1 1.828,2 11.167,3 0.278,4 0.077,5 111.215,6 8.489,7 0.485,8 4.075,9 4.198,10 3.744,11 3.487,12 5.232,13 3.523,14 4.622,15 4.802,16 4.116,17 3.86,18 5.767,19 3.882,20 4.78,21 4.975,22 4.24,23 4.023,24 5.947,25 4.003,26 4.814,27 5.02,28 4.257,29 4.035,30 5.957,31 4.004,32 4.806,33 5.021,34 4.251,35 4.01,36 5.957,37 3.997,38 4.776,39 4.946,40 4.325,41 4.074,42 6.035,43 4.053,44 4.843,45 5.026,46 4.2,47 4.064,48 5.99,49 4.009,50 4.83,51 5.04,52 4.015,53 3.904,54 5.992,55 3.855,56 0.182,57 0.808,58 8.871,59 3.643,60 13.577,61 4.816,62 0.707,63 1.197,64 20.9,65 5.961,66 42.743,67 7.976,68 0.806,69 1.344,70 25.815,71 7.71,72 53.945,73 10.576,74 0.712,75 1.346,76 28.544,77 8.014,78 60.021,79 11.334,80 0.888,81 1.336,82 30.491,83 7.12,84 63.219,85 10.492,86 0.774,87 1.373,88 24.127,89 8.041,90 51.534,91 10.719,92 0.738,93 1.31,94 31.761,95 9.273,96 61.92,97 12.18,98 0.907,99 1.171,100 36.771,101 7.986,102 76.919,103 10.85,104 22,105 46,106 0.306,107 0.648,108 0.783,109 0.81,110 0.828,111 0.828,112 3.441,113 0.884,114 -1.83,115 -1.89,116 -1.9,119 35.3,124 1,125 6,143 1,145 2,146 2,147 1,150 1,151 1,153 1,158 1,161 1,163 1,164 1,165 1,174 3,175 4,177 2,178 3,186 6,187 2,190 2,195 1,198 3,199 2,202 1,204 1,209 1,211 4,212 4,223 7,224 1,226 1,227 3,229 1,236 3,237 2,239 1,240 1,242 2,247 1,250 1,252 1,253 1,262 7,263 1,265 1,266 4,275 1446,276 20.491,277 20.491,278 20.491,279 20.491,280 20.491,281 18.536,282 22.623,283 12.309,284 21.439,285 16.264,286 16.264,287 16.264,288 16.264,289 16.264,290 13.161,291 24.727,292 5.851,293 17.748,294 3.844,295 1.797,296 0.991,297 0.829,298 0.721,299 0.721,300 4.137,302 1,304 1,305 1,306 717,307 3.391,310 66.022,311 257.233,314 121.882,318 1.656,319 37.387,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 67.333,331 335,332 4.738,333 3.593,334 6.943,335 4.245,336 3.324,337 4.696,338 1.058,339 11.727,340 3.061,341 4.209,342 3.425,343 6.353,344 3.809,345 2.844,346 3.824,347 0.86,348 9.599,349 2.747,350 3.989,351 3.054,352 6.096,353 3.678,354 2.733,355 3.409,356 0.86,357 8.851,358 2.587,359 3.809,360 2.699,361 5.799,362 3.389,363 2.472,364 3.221,365 0.8,366 7.727,367 2.238,368 3.6,369 2.464,370 5.171,371 3.166,372 2.242,373 2.934,375 6.214,376 2.058,377 3.162,378 2.299,379 4.957,380 2.788,381 1.899,382 2.341,384 5.453,385 1.662,386 2.991,387 2.222,388 4.57,389 2.65,390 1.735,391 2.085,393 4.527,394 1.571,395 2.745,396 2.079,397 4.171,398 2.47,399 1.559,400 1.784,402 3.689,403 1.407,404 2.514,405 1.667,406 3.809,407 2.115,408 1.245,409 1.5,411 2.96,412 1.075,413 2.5,414 1.386,415 3.529,416 2.087,417 1.158,418 1.467,420 2.633,421 1.063,422 2.384,423 1.383,424 3.479,425 1.952,426 1,427 1.368,428 2.275,429 0.946,430 2.055,431 1.256,432 3.414,433 1.917,434 1,435 1,436 2.136,437 0.916,438 2,439 1,440 3.249,441 1.53,442 0.652,443 0.899,445 1.875,446 0.553,447 1.737,448 0.98,449 3.247,450 1.488,451 0.571,452 0.635,454 0.995,455 0.514,456 1.514,457 0.593,458 2.673,459 1.073,460 0.255,461 0.303,463 0.633,464 0.185,465 13.914,466 0.464,467 0.678,468 0.023,469 38.75,470 1.292,471 16.5,472 0.55,473 22.25,474 0.742,475 25.41,476 0.847,477 33.486,478 0.657,479 31.369,480 1.046,481 7.86,482 0.262,483 6.719,484 0.224,485 0.14,487 0.345,493 0.909,494 1.782,495 0.617,496 1.217,497 0.72,498 0.977,499 1.177,500 1.027,501 0.74,502 0.755,503 0.727,504 0.749,505 0.913,506 0.992,507 0.823,508 0.835,509 0.825,510 0.861,511 0.908,512 1.213,513 0.937,514 0.992,515 1.142,516 0.939,517 0.905,518 0.928,519 0.953,520 0.799,521 0.952,522 0.765,523 0.664,524 1.048,525 0.879,526 1.089,527 0.742,528 1.06,529 1.067,530 1.236,531 1.376,532 1.385,533 1.247,534 1.279,535 1.408,536 1.143,537 1.648,538 1.327,539 1.621,540 1.219,541 5,542 0.131,543 3.556,544 1.847,545 2.019,546 1.462,547 0.976,548 0.519,549 0.384,550 0.229,551 10728,552 34604,553 2.087,554 41.2,556 15,557 1,558 2,559 3,564 1.736,565 1.957,566 3.392,567 1.032,569 1,573 93.241,574 1.828,575 3.876,576 4.682,577 4.844,578 4.952,579 4.952,580 2.921,581 4.374,582 4.867,583 3.544,584 1541.74,585 8.541,586 20781.3,588 1,591 289.294,592 1.4,593 4.839,594 0.152,595 0.007,596 0.077,597 0.038,598 0.042,599 0.03,600 0.019,601 0.012,602 0.011,603 0.008,604 0.395,605 0.33,606 0.88,607 1.369,608 151.843,609 -0.137,610 -0.48,611 0.031,612 -0.194,613 -0.079,614 -0.054,615 -0.117,616 0.09,617 0.056,618 0.182,619 0.014,620 0.152,621 0.024,622 0.094,623 0.081,624 0.148,625 0.054,626 0.091,627 -0.039,628 -0.158,629 0.084,630 0.017,631 -0.085,632 0.041,633 0.014,634 0.128,635 0.088,636 0.172,637 0.007,638 0.188,639 0.213,640 0.112,641 0.04,642 -0.068,643 0.193,644 -0.11,645 -0.1,646 -0.196,647 -0.209,648 -0.299,649 -0.155,650 -0.275,651 -0.278,652 -0.193,653 -0.348,654 -0.305,655 -0.267,656 -0.248,657 1.989,658 5.507,659 0.7,660 31.96,661 1.026,662 1.146,663 0.599,664 0.359,665 0.659,666 3.526,667 3.85,668 4.159,669 4.454,670 4.762,671 4.956,672 5.142,673 5.318,674 5.434,675 5.497,676 6.373,677 0.644,678 432.92,679 3.526,680 5.069,681 5.932,682 6.821,683 7.715,684 8.62,685 9.529,686 10.444,687 11.361,688 12.282,689 15.7,693 1,695 1,696 1,697 1,699 4,703 1,704 3,705 4,709 6,711 16,718 1,722 1,726 1,730 1,731 51,733 17,735 33,737 54,738 18,739 10,742 1,746 4,747 5,748 1,761 11,762 7,766 1,771 1,775 1,778 1,781 21,782 10,783 3,784 12,785 1,787 1,790 8,794 0.75,795 3,802 1,806 1,811 1,812 3,815 1,839 2,840 3,844 1,845 1,848 30,849 1,854 6,855 1,856 2,859 1,869 1,870 5.9,873 1,874 2,877 15.333,878 9.426,879 6.694,880 2.865,881 3.008,882 1.388,883 0.982,884 6.412,885 10.769,886 3.761,887 4.366,888 5.008,889 5.651,890 6.274,891 6.757,892 7.225,893 7.709,894 8.063,895 8.39,896 0.875,897 49,898 11.064,900 4.7,901 7.865,902 20.72,904 16.596,905 2.365,906 70.944,910 211.88,911 80.537,912 122.461,913 39.149,914 47.145,917 80.537,918 298.173,919 122.461,920 10.883,921 38.105,922 41.945,923 144.249,924 34.276,925 55.147,926 176.567,928 211.88,929 202.998,930 47.145,931 39.149,933 211.88,934 25.145,935 22,937 69.686,938 66.17,939 67.142,940 39.149,941 211.88,942 169.606,943 119.686,946 211.88,947 42.512,948 42.436,949 18.011,950 186.333,951 211.88,952 169.606,953 119.686,955 0.574,956 0.336,957 0.182,958 0.108,959 22,960 10,961 0.111,962 6,963 1,964 1.095,965 4.036,966 277.51,967 0.095,968 21,969 137.207,974 20.903,975 9.202,976 4.409,977 0.485,978 168.319,979 4.703,980 17.316,984 2.348,986 50.908,987 501.171,988 42,993 12.507,997 -0.322,999 52.305,1000 58.465,1001 0.322,1002 0.683,1003 0.825,1004 0.854,1005 0.873,1006 0.873,1007 5.004,1008 1.559,1009 5.916,1010 4.527,1011 4.533,1012 5.053,1013 1.968,1014 6.756,1015 4.371,1016 6.207,1017 1.245,1018 7.491,1019 3.689,1020 4.111,1021 4.945,1022 0.325,1023 7.716,1024 3.898,1025 7.523,1026 1.158,1027 9.171,1028 2.96,1029 6.142,1030 7.304,1031 1.818,1032 10.872,1033 5.849,1034 8.883,1035 1,1036 10.914,1037 2.633,1038 6.581,1039 8.081,1040 0.268,1041 12.685,1042 6.231,1043 10.28,1044 1,1045 12.699,1046 2.275,1047 8.066,1048 9.919,1049 1.74,1050 15.363,1051 7.642,1052 11.704,1053 0.652,1054 14.511,1055 2.136,1056 8.897,1057 11.096,1058 0.188,1059 17.526,1060 8.407,1061 13.149,1062 0.571,1063 16.344,1064 1.875,1065 10.175,1066 12.74,1067 1.707,1068 20.046,1069 9.611,1070 3.324,1071 0.255,1072 18.193,1073 0.995,1074 11.191,1075 14.108,1076 0.125,1077 22.365,1078 10.552,1079 2.844,1080 11.727,1081 20.052,1082 0.633,1083 12.394,1084 15.679,1085 1.708,1086 24.832,1087 11.677,1088 2.733,1089 9.599,1090 21.922,1091 4.696,1092 13.497,1093 17.139,1094 0.082,1095 27.222,1096 12.7,1097 2.472,1098 8.851,1099 23.799,1100 3.824,1101 14.677,1102 18.686,1103 1.735,1104 29.675,1105 13.798,1106 2.242,1107 7.727,1108 25.683,1109 3.409,1110 15.822,1111 20.189,1112 0.054,1113 32.099,1114 14.859,1115 1.899,1116 6.214,1117 27.573,1118 3.221,1119 17,1120 21.729,1121 1.783,1122 34.55,1123 15.952,1124 1.735,1125 5.453,1126 29.468,1127 2.934,1128 18.167,1129 23.253,1130 0.035,1131 36.99,1132 17.032,1133 10432,1134 18881,1135 22.076,1136 33.597,1137 49.713,1138 51.393,1139 51.515,1140 49.351,1141 49.376,1142 62.928,1143 7.157,1144 142.587,1145 45.166,1146 5.738,1147 5.593,1148 6.853,1149 5.349,1150 5.324,1151 7.696,1152 2.117,1153 19.415,1154 4.949,1155 14.434,1156 1.506,1157 1.557,1158 1.561,1159 1.495,1160 1.496,1161 1.907,1162 0.217,1163 4.321,1164 1.369,1165 4.143,1166 4.189,1167 4.198,1168 3.969,1169 7.429,1170 4.002,1171 3.817,1172 3.872,1173 3.784,1174 3.646,1175 5.248,1176 3.673,1177 3.742,1178 3.798,1179 3.644,1180 3.517,1181 5.11,1182 3.536,1183 3.635,1184 3.695,1185 3.609,1186 3.388,1187 4.648,1188 3.41,1189 3.381,1190 3.42,1191 3.417,1192 3.16,1193 4.628,1194 3.186,1195 3.168,1196 3.253,1197 3.198,1198 2.941,1199 4.622,1200 2.915,1201 3.111,1202 3.206,1203 3.038,1204 2.893,1205 4.539,1206 2.91,1207 3.024,1208 3.101,1209 2.866,1210 2.807,1211 4.295,1212 2.816,1213 0.144,1214 0.109,1215 0.21,1216 0.129,1217 0.101,1218 4.738,1219 0.142,1220 3.593,1221 0.032,1222 6.943,1223 0.355,1224 4.245,1225 0.093,1226 3.324,1227 4.696,1228 1.058,1229 11.727,1230 3.061,1231 1.915,1232 1.876,1233 1.969,1234 2.098,1235 1.218,1236 2.064,1237 1.708,1238 1.654,1239 1.869,1240 1.934,1241 1.037,1242 1.917,1243 1.626,1244 1.579,1245 1.82,1246 1.874,1247 1.011,1248 1.855,1249 1.565,1250 1.509,1251 1.676,1252 1.818,1253 0.825,1254 1.788,1255 1.403,1256 1.359,1257 1.571,1258 1.647,1259 0.723,1260 1.622,1261 1.153,1262 1.064,1263 1.513,1264 1.417,1265 0.578,1266 1.442,1267 1.12,1268 1.025,1269 1.467,1270 1.376,1271 0.53,1272 1.429,1273 1.005,1274 0.931,1275 1.241,1276 1.311,1277 0.234,1278 1.302,1279 4.205,1281 5.525,1282 2.398,1283 7.05,1284 4.727,1285 8.673,1286 6.88,1287 10.354,1289 1.569,1290 6.65,1293 5.6,1295 3.208,1296 2.761,1297 10.418,1300 2.052,1305 32.831,1306 93.241,1307 197.671,1308 238.764,1309 247.029,1310 252.539,1311 252.539,1312 52.336,1313 7.761,1314 132.79,1315 132.79,1316 23,1317 12.791,1318 4.17,1319 3.322,1320 46.658,1321 114,1322 150,1323 0.206,1324 205.116,1325 346.28,1326 492.243,1327 22331,1328 2,1329 21.087,1330 0.703,1331 0.57,1332 21.587,1333 17.094,1334 14.58,1335 0.442,1336 0.295,1337 9.13,1338 13.396,1339 8.958,1340 7.343,1341 14.868,1342 9.723,1343 12.873,1344 0.28,1345 0.151,1346 13.206,1347 6.931,1348 11.134,1349 0.177,1350 0.079,1351 11.562,1352 4.972,1353 9.12,1354 0.107,1355 0.04,1356 9.516,1357 3.382,1358 7.752,1359 0.067,1360 0.02,1361 8.125,1362 2.301,1363 0.315,1364 97.018,1365 0.213,1366 27.926,1367 0.594,1368 158,1369 550.926,1370 197.213,1371 546.442,1372 732.31,1373 512,1374 188,1375 509.651,1376 226.532,1377 521.034,1378 771.43,1379 487,1380 7.703}
{0 CHEMBL2058172,1 1.69,2 11.133,3 -0.035,4 0.001,5 111.25,6 7.639,7 0.485,8 4.118,9 4.249,10 3.703,11 3.515,12 5.245,13 3.544,14 4.669,15 4.863,16 4.049,17 3.884,18 5.768,19 3.899,20 4.821,21 5.026,22 4.124,23 4.04,24 5.927,25 4.022,26 4.892,27 5.113,28 4.107,29 4.07,30 5.968,31 4.032,32 4.912,33 5.144,34 4.127,35 4.065,36 5.996,37 4.044,38 4.884,39 5.077,40 4.184,41 4.143,42 6.015,43 4.11,44 4.971,45 5.173,46 4.105,47 4.162,48 6.016,49 4.093,50 5.073,51 5.344,52 3.947,53 4.024,54 6.069,55 3.948,56 0.124,57 0.856,58 11.103,59 3.821,60 11.413,61 5.635,62 0.614,63 1.275,64 23.061,65 6.211,66 40.09,67 9.249,68 0.719,69 1.477,70 26.84,71 7.615,72 47.495,73 11.523,74 0.565,75 1.542,76 28.811,77 8.152,78 49.848,79 12.933,80 0.804,81 1.529,82 30.776,83 7.556,84 65.344,85 12.256,86 0.713,87 1.598,88 27.375,89 8.663,90 44.259,91 12.764,92 0.505,93 1.609,94 30.304,95 10.39,96 45.605,97 15.226,98 0.855,99 1.462,100 39.031,101 9.204,102 78.163,103 15.175,104 22,105 46,106 0.28,107 0.621,108 0.783,109 0.808,110 0.825,111 0.825,112 3.441,113 0.878,114 -1.83,115 -1.89,116 -1.9,119 35.2,120 1,124 1,125 6,143 1,145 2,146 2,147 1,150 1,151 1,152 1,158 1,161 1,163 1,164 1,165 1,174 3,175 4,177 2,178 3,186 6,187 2,190 2,198 3,199 2,202 1,204 2,209 1,211 4,212 3,220 1,223 7,226 1,227 3,236 3,237 5,239 1,240 1,242 1,250 1,252 1,253 1,262 7,265 1,266 4,268 1,273 1,275 1448,276 20.491,277 20.491,278 20.491,279 20.491,280 20.491,281 18.536,282 23.447,283 12.308,284 21.347,285 16.264,286 16.264,287 16.264,288 16.264,289 16.264,290 13.161,291 26.281,292 5.848,293 17.53,294 4.065,295 2.001,296 1.024,297 0.871,298 0.769,299 0.769,300 4.137,304 1,305 1,306 715,307 3.391,310 66.228,311 257.915,314 121.936,318 1.684,319 33.567,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 67,331 334,332 4.744,333 3.627,334 6.945,335 4.266,336 3.326,337 4.705,338 1.058,339 11.726,340 3.13,341 4.223,342 3.308,343 6.377,344 3.847,345 2.881,346 3.825,347 0.86,348 9.664,349 2.787,350 4.029,351 2.901,352 6.103,353 3.688,354 2.737,355 3.495,356 0.86,357 8.91,358 2.599,359 3.692,360 2.794,361 5.753,362 3.334,363 2.391,364 3.06,365 0.8,366 7.554,367 2.244,368 3.617,369 2.4,370 5.048,371 3.173,372 2.25,373 2.933,375 6.088,376 2.065,377 3.136,378 2.308,379 5.038,380 2.852,381 1.92,382 2.229,384 5.47,385 1.783,386 2.963,387 2.221,388 4.449,389 2.582,390 1.675,391 2.141,393 4.293,394 1.516,395 2.778,396 1.9,397 4.372,398 2.399,399 1.457,400 1.837,402 3.905,403 1.367,404 2.58,405 1.612,406 3.982,407 2.303,408 1.404,409 1.571,411 3.211,412 1.252,413 2.5,414 1.384,415 3.552,416 2.088,417 1.182,418 1.5,420 2.753,421 1.061,422 2.471,423 1.38,424 3.458,425 1.952,426 1,427 1.444,428 2.275,429 0.946,430 2.092,431 1.256,432 3.414,433 1.917,434 1,435 1.009,436 2.19,437 0.916,438 2,439 1.06,440 3.247,441 1.739,442 0.832,443 1,445 2.136,446 0.751,447 1.739,448 1,449 2.925,450 1.49,451 0.574,452 0.641,454 0.993,455 0.518,456 1.264,457 0.368,458 2.676,459 0.877,460 -0.055,461 -0.068,463 -0.131,464 -0.051,465 13.7,466 0.457,467 0.678,468 0.023,469 38.5,470 1.283,471 16.5,472 0.55,473 22,474 0.733,475 25.557,476 0.852,477 33.7,478 0.624,479 31.199,480 1.04,481 7.831,482 0.261,483 6.749,484 0.225,485 0.127,487 0.35,493 0.928,494 1.777,495 0.761,496 1.347,497 0.746,498 1.053,499 1.232,500 1.042,501 0.869,502 0.809,503 0.729,504 0.775,505 0.964,506 0.999,507 0.933,508 0.892,509 0.846,510 0.905,511 0.852,512 1.278,513 0.949,514 1.147,515 1.095,516 1.072,517 1.042,518 0.939,519 0.927,520 0.759,521 1.244,522 0.788,523 0.76,524 0.998,525 1.028,526 1.097,527 0.826,528 1.108,529 0.804,530 1.378,531 1.078,532 1.5,533 1.034,534 1.38,535 1.181,536 0.969,537 1.032,538 0.956,539 1.265,540 0.953,541 5,542 0.131,543 3.556,544 2.076,545 1.708,546 1.552,547 0.977,548 0.52,549 0.404,550 0.209,551 10740,552 31382,553 2.087,554 44.4,556 15,557 1,558 2,559 3,560 3,564 1.736,565 1.957,566 3.386,567 0.999,569 1,573 91.259,574 1.69,575 3.753,576 4.731,577 4.884,578 4.986,579 4.986,580 2.921,581 4.374,582 4.867,583 3.542,584 1540.93,585 8.542,586 20791.5,588 1,591 310.764,592 1.4,593 4.839,594 0.152,595 0.007,596 0.077,597 0.042,598 0.036,599 0.032,600 0.019,601 0.012,602 0.011,603 0.007,604 0.395,605 0.33,606 0.88,607 1.369,608 151.865,609 -0.109,610 -0.46,611 0.064,612 -0.211,613 -0.075,614 -0.056,615 -0.103,616 0.074,617 0.082,618 0.183,619 0.037,620 0.164,621 0.002,622 0.121,624 0.114,625 0.031,626 0.057,627 -0.033,628 -0.187,629 -0.024,630 -0.132,631 -0.08,632 -0.085,633 -0.078,634 0.118,635 0.039,636 0.199,637 -0.071,638 0.163,639 0.096,640 0.181,641 -0.133,642 -0.057,643 0.063,644 -0.132,645 0.007,646 -0.294,647 -0.177,648 -0.405,649 -0.091,650 -0.347,651 -0.156,652 -0.084,653 -0.005,654 -0.026,655 -0.109,656 0.02,657 1.918,658 5.66,659 0.7,660 31.653,661 1.016,662 1.147,663 0.599,664 0.359,665 0.639,666 3.526,667 3.85,668 4.159,669 4.454,670 4.754,671 4.934,672 5.142,673 5.328,674 5.451,675 5.509,676 6.372,677 0.621,678 412.51,679 3.526,680 5.069,681 5.932,682 6.821,683 7.714,684 8.619,685 9.526,686 10.441,687 11.358,688 12.279,689 14.8,693 1,695 1,696 1,697 1,699 4,703 1,704 3,705 4,709 6,711 16,718 1,722 1,726 1,731 54,733 17,735 33,737 57,738 19,739 10,742 1,746 4,747 5,752 1,761 11,762 8,766 1,771 1,775 1,778 1,781 24,782 10,783 3,784 11,787 1,790 8,794 0.75,795 3,802 1,806 1,811 1,812 3,815 1,839 2,840 3,844 2,848 30,849 1,854 6,855 1,856 2,859 1,870 5.6,873 1,874 2,877 15.333,878 10.283,879 6.694,880 3.079,881 3.004,882 1.387,883 0.979,884 6.202,885 10.772,886 3.761,887 4.366,888 5.008,889 5.651,890 6.267,891 6.736,892 7.233,893 7.716,894 8.084,895 8.414,896 0.875,897 49,898 11.072,900 4.66,901 7.794,902 20.934,904 16.762,905 2.294,906 68.833,910 247.193,911 89.048,912 122.461,914 47.145,917 89.048,918 294.338,919 122.461,920 19.708,921 38.105,922 41.945,923 144.249,924 31.205,925 18.755,926 211.88,928 247.193,929 211.508,930 47.145,933 247.193,934 25.145,935 22,937 75.439,938 68.927,939 67.142,941 247.193,942 169.606,943 89.048,946 247.193,947 42.197,948 51.261,949 18.011,950 147.184,951 247.193,952 169.606,953 89.048,955 0.574,956 0.337,957 0.182,958 0.107,959 22,960 10,961 0.105,962 6,963 1,964 1.095,965 4.038,966 277.26,967 0.095,968 21,969 139.207,974 20.629,975 9.019,976 4.301,977 0.617,978 168.319,979 5.094,980 17.592,984 3.34,986 50.908,987 505.846,988 42,993 12.66,997 -0.251,999 54.865,1000 61.936,1001 0.294,1002 0.652,1003 0.822,1004 0.849,1005 0.866,1006 0.866,1007 5.004,1008 1.457,1009 5.916,1010 4.293,1011 4.533,1012 5.053,1013 1.968,1014 6.756,1015 4.4,1016 6.207,1017 1.404,1018 7.491,1019 3.905,1020 4.111,1021 4.945,1022 0.325,1023 7.716,1024 3.961,1025 7.523,1026 1.182,1027 9.171,1028 3.211,1029 6.142,1030 7.304,1031 1.818,1032 10.87,1033 5.9,1034 8.883,1035 1,1036 10.914,1037 2.753,1038 6.581,1039 8.081,1040 0.268,1041 12.69,1042 6.32,1043 10.28,1044 1,1045 12.699,1046 2.275,1047 8.069,1048 9.923,1049 1.74,1050 15.364,1051 7.728,1052 11.706,1053 0.832,1054 14.512,1055 2.19,1056 8.904,1057 11.105,1058 0.188,1059 17.535,1060 8.531,1061 13.152,1062 0.574,1063 16.345,1064 2.136,1065 10.185,1066 12.751,1067 1.707,1068 20.051,1069 9.74,1070 3.326,1071 -0.055,1072 18.194,1073 0.993,1074 11.205,1075 14.124,1076 0.125,1077 22.374,1078 10.715,1079 2.881,1080 11.726,1081 20.055,1082 -0.131,1083 12.409,1084 15.698,1085 1.708,1086 24.838,1087 11.854,1088 2.737,1089 9.664,1090 21.926,1091 4.705,1092 13.515,1093 17.161,1094 0.082,1095 27.23,1096 12.906,1097 2.391,1098 8.91,1099 23.805,1100 3.825,1101 14.697,1102 18.71,1103 1.735,1104 29.681,1105 14.024,1106 2.25,1107 7.554,1108 25.69,1109 3.495,1110 15.844,1111 20.215,1112 0.054,1113 32.105,1114 15.111,1115 1.92,1116 6.088,1117 27.581,1118 3.06,1119 17.022,1120 21.758,1121 1.783,1122 34.554,1123 16.226,1124 1.675,1125 5.47,1126 29.477,1127 2.933,1128 18.189,1129 23.284,1130 0.035,1131 36.995,1132 17.332,1133 10440,1134 17968,1135 22.076,1136 34.5,1137 49.494,1138 50.926,1139 51.267,1140 49.212,1141 49.258,1142 62.781,1143 7.157,1144 142.331,1145 45.87,1146 5.744,1147 5.627,1148 6.855,1149 5.369,1150 5.326,1151 7.705,1152 2.117,1153 19.344,1154 5.017,1155 14.433,1156 1.5,1157 1.543,1158 1.554,1159 1.491,1160 1.493,1161 1.902,1162 0.217,1163 4.313,1164 1.39,1165 4.152,1166 4.201,1167 4.134,1168 3.977,1169 7.429,1170 4.011,1171 3.821,1172 3.876,1173 3.788,1174 3.656,1175 5.242,1176 3.682,1177 3.746,1178 3.803,1179 3.64,1180 3.525,1181 5.045,1182 3.543,1183 3.634,1184 3.695,1185 3.519,1186 3.385,1187 4.639,1188 3.407,1189 3.393,1190 3.441,1191 3.304,1192 3.181,1193 4.62,1194 3.203,1195 3.222,1196 3.3,1197 3.082,1198 2.941,1199 4.611,1200 2.953,1201 3.111,1202 3.206,1203 2.967,1204 2.937,1205 4.34,1206 2.91,1207 3.078,1208 3.164,1209 2.866,1210 2.863,1211 3.993,1212 2.882,1213 0.144,1214 0.11,1215 0.21,1216 0.129,1217 0.101,1218 4.744,1219 0.143,1220 3.627,1221 0.032,1222 6.945,1223 0.355,1224 4.266,1225 0.095,1226 3.326,1227 4.705,1228 1.058,1229 11.726,1230 3.13,1231 1.926,1232 1.882,1233 1.996,1234 2.113,1235 1.22,1236 2.081,1237 1.708,1238 1.654,1239 1.885,1240 1.936,1241 1.065,1242 1.92,1243 1.666,1244 1.622,1245 1.827,1246 1.889,1247 1.027,1248 1.868,1249 1.57,1250 1.511,1251 1.764,1252 1.832,1253 0.836,1254 1.812,1255 1.448,1256 1.395,1257 1.615,1258 1.68,1259 0.825,1260 1.668,1261 1.161,1262 1.077,1263 1.534,1264 1.479,1265 0.641,1266 1.497,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.565,1272 1.429,1273 1.048,1274 0.968,1275 1.295,1276 1.329,1277 0.316,1278 1.329,1279 4.205,1281 5.525,1282 2.398,1283 7.05,1284 4.844,1285 8.67,1286 7.05,1287 10.346,1289 3.447,1293 5.62,1295 3.419,1296 2.826,1297 10.476,1300 2.111,1305 33.53,1306 91.259,1307 202.686,1308 255.48,1309 263.744,1310 269.254,1311 269.254,1312 49.324,1313 7.769,1314 132.79,1315 132.79,1316 23,1317 12.788,1318 4.17,1319 3.322,1320 46.652,1321 114,1322 148,1323 0.206,1324 206.375,1325 348.37,1326 495.316,1327 22540,1329 21.087,1330 0.703,1331 0.565,1332 21.087,1333 16.96,1334 14.58,1335 0.442,1336 0.293,1337 9.411,1338 13.653,1339 9.206,1340 7.587,1341 14.58,1342 9.656,1343 12.873,1344 0.28,1345 0.149,1346 12.873,1347 6.867,1348 11.121,1349 0.177,1350 0.078,1351 11.121,1352 4.913,1353 9.19,1354 0.108,1355 0.039,1356 9.19,1357 3.307,1358 7.742,1359 0.067,1360 0.02,1361 7.742,1362 2.262,1363 0.315,1364 93.843,1365 0.213,1366 27.927,1367 0.593,1368 158,1369 524.722,1370 181.043,1371 492.663,1372 673.15,1373 464,1374 188,1375 492.789,1376 212.545,1377 494.931,1378 730.19,1379 463,1380 7.886}
{0 CHEMBL2059907,1 1.898,2 9.435,3 0.54,4 0.292,5 84.195,6 9.205,7 0.64,8 3.726,9 3.82,10 3.631,11 3.298,12 4.923,13 3.279,14 4.23,15 4.368,16 3.901,17 3.639,18 5.707,19 3.631,20 4.396,21 4.54,22 3.842,23 3.701,24 5.756,25 3.683,26 4.385,27 4.567,28 3.778,29 3.634,30 5.749,31 3.594,32 4.297,33 4.513,34 3.669,35 3.533,36 5.505,37 3.491,38 4.176,39 4.344,40 3.592,41 3.478,42 5.475,43 3.424,44 4.157,45 4.335,46 3.486,47 3.326,48 5.504,49 3.274,50 4.012,51 4.248,52 3.256,53 3.093,54 5.285,55 3.021,56 0.145,57 0.616,58 6.907,59 3.404,60 17.251,61 3.231,62 0.423,63 0.934,64 14.136,65 5.527,66 53.204,67 5.782,68 0.55,69 1.013,70 16.008,71 5.817,72 73.918,73 5.563,74 0.538,75 0.98,76 14.563,77 5.725,78 63.025,79 6.747,80 0.455,81 0.909,82 16.144,83 5.161,84 38.482,85 6.068,86 0.342,87 0.81,88 13.755,89 5.178,90 31.46,91 5.595,92 0.47,93 0.728,94 13.969,95 4.909,96 51.997,97 5.374,98 0.433,99 0.601,100 13.848,101 4.149,102 52.656,103 5.193,104 31,105 37,106 0.338,107 0.704,108 0.83,109 0.864,110 0.864,111 0.864,112 3.188,113 1.022,114 -2.93,115 -2.93,116 -2.83,119 38.9,120 1,124 1,142 3,143 2,144 1,145 2,150 1,151 1,158 1,161 1,166 1,172 4,174 3,175 5,178 3,180 1,183 3,187 9,190 1,195 2,198 4,199 9,204 1,207 1,211 2,212 6,217 2,223 1,224 4,229 1,232 1,236 3,237 4,242 1,245 2,249 2,250 1,253 1,258 1,262 2,263 1,271 1,275 693,276 14.798,277 14.798,278 14.798,279 14.798,280 14.798,281 12.519,282 9.992,283 8.514,284 15.279,285 12.383,286 12.383,287 12.383,288 12.383,289 12.383,290 8.822,291 12.243,292 4.089,293 13.211,294 3.271,295 1.216,296 0.507,297 0.32,298 0.32,299 0.32,300 3.863,304 1,305 1,306 456,307 3.606,310 50.959,311 130.407,314 90.166,318 1.671,319 33.152,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 51.5,331 217,332 4.808,333 5.18,334 7.118,335 4.197,336 3.325,337 4.669,338 2.95,339 11.701,340 2.965,341 4.51,342 3.536,343 6.336,344 3.993,345 3.05,346 4.449,347 1.907,348 9.775,349 2.803,350 4.1,351 3.055,352 6.045,353 3.682,354 2.716,355 3.686,356 0.149,357 8.783,358 2.59,359 3.662,360 2.8,361 5.258,362 3.287,363 2.313,364 2.989,366 6.623,367 2.25,368 3.38,369 2.517,370 4.747,371 2.852,372 1.88,373 2.703,375 5.206,376 1.813,377 3.145,378 2.106,379 4.437,380 2.65,381 1.685,382 2.365,384 4.385,385 1.611,386 3.009,387 1.583,388 4.372,389 2.472,390 1.515,391 2.239,393 4.311,394 1.446,395 2.731,396 1.514,397 4.168,398 2.2,399 1.228,400 1.821,402 3.485,403 1.188,404 2.579,405 1.118,406 3.48,407 2.02,408 1.082,409 1.613,411 2.492,412 1.012,413 1.903,414 0.658,415 3.163,416 1.374,417 0.411,418 0.611,420 1.081,421 0.394,422 1.107,423 0.588,424 2.756,425 0.725,426 -0.229,427 -0.277,428 -0.631,429 -0.217,430 1,431 0.409,432 2.63,433 0.424,434 -0.524,435 -0.705,436 -1.386,437 -0.491,438 0.888,439 -0.019,440 2.507,441 0.179,442 -0.751,443 -0.998,445 -2,446 -0.672,447 0.71,448 -0.123,449 2.202,450 0.107,451 -0.887,452 -1.231,454 -2.105,455 -0.791,456 0.609,457 -0.52,458 2,459 0.076,460 -1,461 -1.274,463 -2.602,464 -0.862,465 10.833,466 0.471,467 0.846,468 0.037,469 34.5,470 1.5,471 19,472 0.826,473 15.5,474 0.674,475 14.454,476 0.628,477 24.567,478 0.682,479 25.069,480 1.09,481 6.671,482 0.29,483 4.155,484 0.181,485 0.185,486 0.077,487 0.314,493 0.557,494 1.37,495 0.784,496 1.236,497 0.64,498 0.912,499 0.627,500 1.025,501 0.95,502 1.052,503 0.541,504 0.83,505 1.421,506 1.088,507 1.166,508 0.995,509 1.383,510 1.027,511 0.823,512 1.119,513 0.807,514 0.892,515 0.797,516 1.051,517 0.874,518 0.834,519 0.888,520 0.757,521 0.638,522 0.813,523 0.953,524 1.15,525 1.133,526 1.227,527 0.81,528 1.173,529 1.133,530 1.106,531 1.063,532 1.11,533 1.304,534 1.166,535 0.901,536 0.788,537 0.799,538 0.782,539 0.931,540 0.872,541 7,542 0.087,543 2.667,544 1.854,545 1.093,546 1.122,547 0.477,548 0.357,549 0.265,550 0.18,551 5372,552 20154,553 2.006,554 36.1,556 6,557 1,558 2,559 1,560 3,564 1.656,565 1.828,566 3.235,567 -0.155,569 1,571 1,573 68.344,574 1.898,575 3.954,576 4.663,577 4.85,578 4.85,579 4.85,580 2.703,581 4.056,582 4.493,583 3.401,584 860.363,585 7.731,586 9702.27,588 1,591 186.117,592 1.72,593 4.418,594 0.28,595 0.01,596 0.072,597 0.055,598 0.035,599 0.04,600 0.019,601 0.017,602 0.017,603 0.013,604 0.557,605 0.5,606 1,607 1.178,608 107.446,609 0.055,610 -0.166,611 0.197,612 -0.092,613 -0.139,614 -0.007,615 0.199,616 0.085,617 0.011,618 -0.013,619 0.225,620 0.085,621 -0.374,622 -0.062,623 -0.292,624 -0.05,625 -0.287,626 -0.138,627 0.046,628 -0.14,629 -0.016,630 -0.04,631 0.014,632 -0.113,633 -0.09,634 0.183,635 0.029,636 0.139,637 -0.015,638 0.152,639 -0.127,640 -0.138,641 -0.169,642 -0.212,643 -0.016,644 -0.199,645 -0.06,646 -0.178,647 -0.096,648 -0.148,649 -0.173,650 -0.194,651 0.084,652 0.089,653 0.215,654 0.142,655 0.02,656 0.174,657 4.247,658 4.627,659 0.652,660 19.376,661 1.031,662 1.131,663 1.7,664 2.89,665 0.697,666 3.258,667 3.638,668 3.829,669 4.094,670 4.317,671 4.431,672 4.595,673 4.663,674 4.727,675 4.812,676 5.753,677 0.682,678 331.39,679 3.258,680 4.828,681 5.666,682 6.567,683 7.43,684 8.329,685 9.203,686 10.101,687 10.981,688 11.879,689 13.9,696 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 36,733 19,735 25,737 38,738 14,739 11,746 3,747 4,752 1,761 12,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 13,782 7,783 1,784 9,785 1,790 5,794 0.667,795 3,805 2,811 1,812 2,815 1,826 1,840 2,842 1,844 2,848 23,851 1,855 1,867 1,870 8.3,873 3,877 12.583,878 7.217,879 4.806,880 1.878,881 3.419,882 1.483,883 0.999,884 3.782,885 10.494,886 3.611,887 4.314,888 4.841,889 5.481,890 6.05,891 6.455,892 6.976,893 7.389,894 7.722,895 8.154,896 1,897 34,898 8.616,900 3.888,901 8.17,902 15.554,904 12.706,905 2.67,906 61.417,910 141.253,911 93.873,912 69.409,914 69.458,916 6.046,917 87.828,918 210.711,919 69.409,920 16.016,921 18.011,922 43.522,923 149.654,924 27.181,925 13.67,926 105.94,928 141.253,929 157.236,930 69.458,931 6.046,933 141.253,934 69.458,937 49.709,938 57.293,939 56.28,941 141.253,942 138.867,943 93.873,945 6.046,946 141.253,947 16.241,948 72.751,949 18.011,950 119.692,951 141.253,952 138.867,953 93.873,955 0.6,956 0.318,957 0.165,958 0.092,959 19,960 9,961 0.079,962 3,963 1,964 1.133,965 3.44,966 183.88,967 0.133,968 15,969 102.042,973 1,974 15.441,975 5.633,976 3.324,977 0.56,978 137.703,979 9.625,980 12.269,984 1.728,986 18.011,987 373.993,988 36,991 -3.33,993 34.298,997 -0.258,999 37.102,1000 40.701,1001 0.367,1002 0.765,1003 0.902,1004 0.938,1005 0.938,1006 0.938,1007 4.86,1008 1.228,1009 5.72,1010 4.311,1011 4.317,1012 5.001,1013 3.197,1014 6.578,1015 4.191,1016 6.144,1017 1.082,1018 7.319,1019 3.485,1020 4.205,1021 5.19,1022 1.593,1023 7.758,1024 3.952,1025 7.517,1026 0.411,1027 9.027,1028 2.492,1029 6.019,1030 7.394,1031 5.134,1032 10.743,1033 5.725,1034 8.928,1035 -0.229,1036 10.798,1037 1.081,1038 6.648,1039 8.345,1040 3.032,1041 12.699,1042 6.2,1043 10.37,1044 -0.524,1045 12.612,1046 -0.631,1047 8.041,1048 10.117,1049 7.226,1050 15.286,1051 7.543,1052 11.834,1053 -0.751,1054 14.455,1055 -1.386,1056 8.981,1057 11.392,1058 4.409,1059 17.534,1060 8.33,1061 13.317,1062 -0.887,1063 16.319,1064 -2,1065 10.226,1066 13.007,1067 9.364,1068 20.006,1069 9.504,1070 3.325,1071 -1,1072 18.2,1073 -2.105,1074 11.299,1075 14.421,1076 5.75,1077 22.368,1078 10.435,1079 3.05,1080 11.701,1081 20.094,1082 -2.602,1083 12.492,1084 15.977,1085 11.518,1086 24.81,1087 11.539,1088 2.716,1089 9.775,1090 21.997,1091 4.669,1092 13.623,1093 17.452,1094 7.068,1095 27.219,1096 12.537,1097 2.313,1098 8.783,1099 23.909,1100 4.449,1101 14.801,1102 18.986,1103 13.678,1104 29.658,1105 13.613,1106 1.88,1107 6.623,1108 25.828,1109 3.686,1110 15.958,1111 20.487,1112 8.374,1113 32.089,1114 14.643,1115 1.685,1116 5.206,1117 27.753,1118 2.989,1119 17.134,1120 22.014,1121 15.84,1122 34.531,1123 15.71,1124 1.515,1125 4.385,1126 29.683,1127 2.703,1128 18.304,1129 23.528,1130 9.674,1131 36.973,1132 16.757,1133 5353,1134 10494,1135 16.008,1136 25.085,1137 38.854,1138 40.737,1139 39.046,1140 38.496,1141 38.408,1142 54.289,1143 10.012,1144 115.685,1145 36.145,1146 5.543,1147 7.18,1148 6.66,1149 5.252,1150 5.325,1151 7.669,1152 5.9,1153 18.743,1154 4.921,1155 13.655,1156 1.554,1157 1.629,1158 1.562,1159 1.54,1160 1.536,1161 2.172,1162 0.4,1163 4.627,1164 1.446,1165 4.136,1166 4.176,1167 4.735,1168 4.09,1169 7.716,1170 4.023,1171 4.013,1172 4.001,1173 4.079,1174 3.895,1175 7.43,1176 3.869,1177 3.651,1178 3.671,1179 3.686,1180 3.515,1181 6.999,1182 3.496,1183 3.539,1184 3.575,1185 3.472,1186 3.323,1187 5.153,1188 3.34,1189 3.222,1190 3.284,1191 3.148,1192 3.033,1193 4.844,1194 3.051,1195 2.909,1196 2.979,1197 2.802,1198 2.759,1199 4.324,1200 2.759,1201 2.752,1202 2.853,1203 2.585,1204 2.539,1205 3.904,1206 2.527,1207 2.727,1208 2.825,1209 2.52,1210 2.475,1211 3.869,1212 2.484,1213 0.192,1214 0.207,1215 0.285,1216 0.168,1217 0.133,1218 4.808,1219 0.187,1220 5.18,1221 0.118,1222 7.118,1223 0.468,1224 4.197,1225 0.119,1226 3.325,1227 4.669,1228 2.95,1229 11.701,1230 2.965,1231 1.995,1232 1.992,1233 2.032,1234 2.1,1235 1.211,1236 2.103,1237 1.816,1238 1.812,1239 1.804,1240 1.939,1241 1.039,1242 1.966,1243 1.522,1244 1.472,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.468,1250 1.447,1251 1.566,1252 1.637,1253 0.704,1254 1.669,1255 1.177,1256 1.102,1257 1.336,1258 1.457,1259 0.301,1260 1.437,1261 0.91,1262 0.848,1263 1.082,1264 1.125,1265 0.198,1266 1.118,1267 0.782,1268 0.697,1269 1.055,1270 1.035,1271 0.079,1272 1.065,1273 0.709,1274 0.624,1275 0.959,1276 0.987,1278 1.008,1279 3.932,1281 5.293,1282 2.398,1283 6.825,1284 4.727,1285 8.435,1286 6.823,1287 10.088,1289 2.508,1296 2.509,1305 24.546,1306 68.344,1307 142.343,1308 167.853,1309 174.608,1310 174.608,1311 174.608,1312 43.793,1313 7.075,1314 106.32,1315 114.7,1316 17,1317 12.406,1318 4.322,1319 3.585,1320 36.911,1321 79,1322 77,1323 0.235,1324 156.555,1325 259.74,1326 373.754,1327 10052,1329 16.613,1330 0.722,1331 0.574,1332 16.863,1333 13.202,1334 10.826,1335 0.433,1336 0.341,1337 6.662,1338 9.513,1339 6.283,1340 5.237,1341 11.72,1342 8.514,1343 11.05,1344 0.299,1345 0.19,1346 12.437,1347 7.034,1348 7.863,1349 0.175,1350 0.093,1351 8.607,1352 4.173,1353 6.644,1354 0.113,1355 0.045,1356 7.164,1357 2.637,1358 5.312,1359 0.072,1360 0.024,1361 5.799,1362 1.812,1363 0.365,1364 77.773,1365 0.25,1366 22.452,1367 0.652,1368 124,1369 446.98,1370 173.36,1371 450.052,1372 600.93,1373 412,1374 144,1375 419.062,1376 198.457,1377 453.479,1378 650.24,1379 421,1380 5.4}
{0 CHEMBL2059908,1 1.9,2 7.95,3 0.673,4 0.453,5 75.813,6 9.334,7 0.727,8 3.592,9 3.69,10 3.529,11 3.182,12 4.79,13 3.156,14 4.079,15 4.208,16 3.787,17 3.534,18 5.575,19 3.521,20 4.24,21 4.386,22 3.721,23 3.596,24 5.58,25 3.564,26 4.237,27 4.42,28 3.585,29 3.511,30 5.544,31 3.449,32 4.123,33 4.347,34 3.458,35 3.374,36 5.302,37 3.301,38 3.991,39 4.178,40 3.371,41 3.255,42 5.257,43 3.179,44 3.893,45 4.091,46 3.262,47 3.029,48 5.231,49 2.974,50 3.679,51 3.903,52 3.046,53 2.749,54 5.097,55 2.7,56 0.131,57 0.551,58 6.167,59 2.918,60 18.253,61 2.656,62 0.341,63 0.831,64 12.008,65 4.814,66 48.564,67 4.817,68 0.401,69 0.897,70 13.362,71 5.195,72 48.997,73 5.07,74 0.42,75 0.848,76 12.047,77 5.083,78 47.645,79 5.725,80 0.326,81 0.758,82 14.105,83 4.879,84 32.023,85 5.766,86 0.283,87 0.665,88 12.758,89 4.552,90 31.229,91 4.982,92 0.376,93 0.566,94 11.844,95 3.738,96 37.688,97 4.106,98 0.329,99 0.445,100 9.49,101 2.712,102 41.265,103 3.134,104 18,105 33,106 0.35,107 0.705,108 0.821,109 0.861,110 0.861,111 0.861,112 3.058,113 1.036,114 -2.81,115 -2.82,116 -2.73,119 38.7,124 1,142 3,143 2,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 4,177 2,178 2,183 3,187 9,189 1,190 1,195 2,198 2,199 7,204 1,207 1,209 1,211 1,212 5,217 2,222 2,223 1,224 3,229 1,234 1,236 3,237 2,242 1,247 1,249 2,252 1,253 1,262 2,275 444,276 12.936,277 12.936,278 12.936,279 12.936,280 12.936,281 10.812,282 6.315,283 7.357,284 13.432,285 10.883,286 10.883,287 10.883,288 10.883,289 10.883,290 7.599,291 4.984,292 3.518,293 11.726,294 3.054,295 1.13,296 0.5,297 0.282,298 0.282,299 0.282,300 3.731,304 1,305 1,306 339,307 3,310 43.016,311 106.707,314 74.1,318 1.26,319 27.247,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 44.5,331 159,332 4.808,333 5.18,334 7.118,335 4.197,336 3.325,337 4.669,338 2.95,339 11.701,340 2.963,341 4.501,342 3.059,343 6.324,344 3.981,345 3.036,346 4.443,348 9.716,349 2.796,350 4.089,351 2.799,352 6.032,353 3.657,354 2.693,355 3.681,357 8.718,358 2.566,359 3.457,360 2.513,361 4.843,362 2.935,363 2,364 2.875,366 5.5,367 1.868,368 3.211,369 2.039,370 4.713,371 2.705,372 1.762,373 2.49,375 5.024,376 1.653,377 3.013,378 1.577,379 4.437,380 2.476,381 1.518,382 2.262,384 4.332,385 1.45,386 2.732,387 1.509,388 4.171,389 2.201,390 1.23,391 1.824,393 3.487,394 1.189,395 2.579,396 1.113,397 3.48,398 2.02,399 1.082,400 1.614,402 2.492,403 1.011,404 1.903,405 0.657,406 3.163,407 1.374,408 0.41,409 0.61,411 1.08,412 0.394,413 1,414 0.41,415 2.753,416 0.514,417 -0.434,418 -0.572,420 -1.148,421 -0.408,422 0.963,423 -0.123,424 2.603,425 0.285,426 -0.648,427 -0.839,428 -1.606,429 -0.592,430 0.76,431 -0.348,432 2.209,433 0.163,434 -0.777,435 -1.019,436 -2.196,437 -0.707,438 0.66,439 -0.604,440 2,442 -1,443 -1.268,445 -2.705,446 -0.793,447 0.5,448 -0.946,449 2,450 -0.04,451 -1,452 -1.411,454 -2.933,455 -0.946,456 0.356,457 -1,458 2,459 -0.057,460 -1,461 -1.5,463 -3,464 -0.959,465 9.5,466 0.475,467 0.74,468 0.037,469 31,470 1.55,471 17.5,472 0.875,473 13.5,474 0.675,475 11.413,476 0.571,477 21.1,478 0.681,479 21.091,480 1.055,481 5.929,482 0.296,483 3.503,484 0.175,485 0.165,486 0.088,487 0.305,493 0.591,494 1.257,495 0.808,496 1.173,497 0.766,498 0.843,499 0.679,500 0.982,501 1.001,502 1.058,503 0.541,504 0.821,505 1.299,506 1.066,507 1.12,508 1.046,509 1.265,510 1.059,511 0.994,512 1.058,513 0.884,514 0.919,515 0.963,516 1.139,517 0.823,518 0.882,519 0.873,520 0.859,521 0.657,522 0.908,523 0.965,524 1.161,525 1.138,526 1.256,527 0.929,528 1.181,529 1.148,530 1.069,531 1.036,532 1.041,533 1.351,534 1.044,535 1.127,536 0.85,537 0.888,538 0.816,539 1.243,540 0.89,541 6,543 2.667,544 1.604,545 0.968,546 0.851,547 0.395,548 0.275,549 0.215,550 0.15,551 3609,552 13148,553 2.036,554 35.5,556 6,557 1,558 2,559 2,564 1.618,565 1.86,566 3.018,567 0.508,569 1,571 1,573 58.897,574 1.9,575 3.825,576 4.454,577 4.672,578 4.672,579 4.672,580 2.484,581 3.784,582 4.297,583 3.136,584 595.804,585 7.339,586 5959.19,588 1,591 153.58,592 1.72,593 4.22,594 0.273,596 0.081,597 0.053,598 0.039,599 0.039,600 0.021,601 0.017,602 0.018,603 0.019,604 0.559,605 0.67,606 1,607 0.897,608 87.597,609 0.052,610 -0.061,611 0.2,612 -0.037,613 -0.216,614 0.041,615 0.181,616 0.123,617 -0.047,618 -0.017,619 0.28,620 0.075,621 -0.304,622 -0.058,623 -0.261,624 -0.096,625 -0.223,626 -0.157,627 -0.083,628 -0.118,629 -0.111,630 -0.069,631 -0.076,632 -0.197,633 -0.054,634 0.058,635 0.07,636 0.077,637 0.008,638 0.117,639 -0.077,640 -0.215,641 -0.098,642 -0.214,643 -0.036,644 -0.164,645 0.017,646 -0.16,647 0.013,648 -0.06,649 -0.13,650 -0.061,651 0.069,652 0.058,653 0.154,654 0.106,655 -0.009,656 0.086,657 4.206,658 4.548,659 0.75,660 12.62,661 1.029,662 1.131,663 1.581,664 2.499,665 0.705,666 3.135,667 3.526,668 3.738,669 3.989,670 4.205,671 4.248,672 4.407,673 4.477,674 4.454,675 4.5,676 4.898,677 0.687,678 289.35,679 3.135,680 4.71,681 5.557,682 6.46,683 7.328,684 8.228,685 9.104,686 10.001,687 10.881,688 11.776,689 16.1,693 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,722 1,731 31,733 18,735 22,737 33,738 12,739 11,746 3,747 4,761 11,762 1,766 2,769 1,771 2,777 1,778 1,781 11,782 6,783 2,784 8,785 1,790 5,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 1,848 20,849 1,851 1,867 1,870 6.5,873 2,877 10.75,878 5.883,879 4.139,880 1.544,881 3.348,882 1.496,883 1.03,884 2.872,885 10.103,886 3.497,887 4.23,888 4.793,889 5.423,890 5.984,891 6.337,892 6.851,893 7.269,894 7.539,895 7.95,896 1,897 30,898 7.488,900 3.424,901 8.113,902 13.562,904 11.273,905 2.613,906 52.25,910 105.94,911 80.344,912 84.295,914 44.313,916 6.046,917 74.298,918 150.253,919 84.295,920 7.19,922 76.419,923 119.805,924 27.181,925 13.67,926 70.627,928 105.94,929 158.593,930 44.313,931 6.046,933 105.94,934 44.313,937 22.873,938 85.486,939 56.28,941 105.94,942 128.608,943 80.344,945 6.046,946 105.94,947 11.536,948 63.925,950 127.444,951 105.94,952 128.608,953 80.344,955 0.606,956 0.333,957 0.17,958 0.094,959 18,960 8,961 0.061,962 2,963 1,964 1.133,965 3.166,966 154.118,967 0.133,968 15,969 84.439,973 1,974 12.881,975 4.459,976 2.479,977 0.624,978 127.444,979 9.783,980 12.002,984 1.822,986 32.897,987 314.892,988 32,991 -3.289,993 23.096,999 31.891,1000 35.076,1001 0.383,1002 0.772,1003 0.899,1004 0.943,1005 0.943,1006 0.943,1007 4.745,1008 1.082,1009 5.617,1010 3.487,1011 4.205,1012 4.916,1013 2.913,1014 6.488,1015 4.063,1016 6.04,1017 0.41,1018 7.226,1019 2.492,1020 4.111,1021 5.121,1023 7.703,1024 3.819,1025 7.422,1026 -0.434,1027 8.945,1028 1.08,1029 5.927,1030 7.346,1031 5.027,1032 10.686,1033 5.61,1034 8.845,1035 -0.648,1036 10.728,1037 -1.148,1038 6.581,1039 8.31,1041 12.666,1042 6.096,1043 10.297,1044 -0.777,1045 12.553,1046 -1.606,1047 7.974,1048 10.092,1049 7.185,1050 15.253,1051 7.451,1052 11.772,1053 -1,1054 14.405,1055 -2.196,1056 8.933,1057 11.374,1059 17.513,1060 8.251,1061 13.264,1062 -1,1063 16.277,1064 -2.705,1065 10.178,1066 12.993,1067 9.348,1068 19.986,1069 9.433,1070 3.325,1071 -1,1072 18.165,1073 -2.933,1074 11.262,1075 14.411,1077 22.353,1078 10.373,1079 3.036,1080 11.701,1081 20.064,1082 -3,1083 12.456,1084 15.968,1085 11.511,1086 24.796,1087 11.482,1088 2.693,1089 9.716,1090 21.973,1091 4.669,1092 13.593,1093 17.444,1095 27.207,1096 12.487,1097 2,1098 8.718,1099 23.889,1100 4.443,1101 14.773,1102 18.979,1103 13.675,1104 29.648,1105 13.566,1106 1.762,1107 5.5,1108 25.811,1109 3.681,1110 15.933,1111 20.48,1113 32.08,1114 14.601,1115 1.518,1116 5.024,1117 27.738,1118 2.875,1119 17.11,1120 22.007,1121 15.838,1122 34.523,1123 15.67,1124 1.23,1125 4.332,1126 29.67,1127 2.49,1128 18.282,1129 23.521,1131 36.966,1132 16.72,1133 3563,1134 6919,1135 14.216,1136 21.869,1137 34.405,1138 35.984,1139 34.561,1140 34.238,1141 34.111,1142 48.937,1143 5.9,1144 104.101,1145 31.783,1146 5.481,1147 7.18,1148 6.66,1149 5.251,1150 5.325,1151 7.669,1152 5.9,1153 18.743,1154 4.919,1155 10.794,1156 1.564,1157 1.636,1158 1.571,1159 1.556,1160 1.55,1161 2.224,1162 0.268,1163 4.732,1164 1.445,1165 4.134,1166 4.172,1167 4.735,1168 4.09,1169 7.716,1170 4.022,1171 4.011,1172 4,1173 4.073,1174 3.892,1175 6.999,1176 3.867,1177 3.629,1178 3.64,1179 3.677,1180 3.505,1181 5.303,1182 3.48,1183 3.312,1184 3.382,1185 3.244,1186 3.112,1187 4.883,1188 3.133,1189 2.909,1190 2.982,1191 2.803,1192 2.763,1193 4.734,1194 2.762,1195 2.827,1196 2.942,1197 2.68,1198 2.555,1199 4.147,1200 2.559,1201 2.735,1202 2.83,1203 2.522,1204 2.489,1205 3.9,1206 2.494,1207 2.565,1208 2.653,1209 2.38,1210 2.314,1211 3.742,1212 2.319,1213 0.219,1214 0.235,1215 0.324,1216 0.191,1217 0.151,1218 4.808,1219 0.212,1220 5.18,1221 0.134,1222 7.118,1223 0.532,1224 4.197,1225 0.135,1226 3.325,1227 4.669,1228 2.95,1229 11.701,1230 2.963,1231 1.995,1232 1.992,1233 2.032,1234 2.1,1235 1.211,1236 2.103,1237 1.816,1238 1.812,1239 1.804,1240 1.939,1241 1.039,1242 1.965,1243 1.471,1244 1.456,1245 1.566,1246 1.651,1247 0.705,1248 1.67,1249 1.312,1250 1.227,1251 1.448,1252 1.636,1253 0.276,1254 1.601,1255 0.912,1256 0.852,1257 1.117,1258 1.137,1259 0.176,1260 1.128,1261 0.812,1262 0.723,1263 1.062,1264 1.073,1265 0.009,1266 1.098,1267 0.711,1268 0.626,1269 0.96,1270 0.989,1272 1.012,1273 0.535,1274 0.455,1275 0.83,1276 0.801,1278 0.819,1279 3.807,1281 5.176,1282 2.398,1283 6.723,1284 4.727,1285 8.345,1286 6.804,1287 10.007,1289 1.148,1293 5.526,1305 21.304,1306 58.897,1307 118.561,1308 138.07,1309 144.825,1310 144.825,1311 144.825,1312 32.547,1313 6.755,1314 103.24,1315 111.62,1316 17,1317 12.304,1318 4.248,1319 3.459,1320 29.967,1321 59,1322 54,1323 0.258,1324 136.301,1325 218.99,1326 324.336,1327 6629,1329 14.328,1330 0.716,1331 0.569,1332 14.578,1333 11.372,1334 9.432,1335 0.429,1336 0.345,1337 5.768,1338 8.223,1339 5.448,1340 4.528,1341 10.326,1342 7.599,1343 9.66,1344 0.293,1345 0.194,1346 11.047,1347 6.388,1348 7.197,1349 0.176,1350 0.095,1351 7.94,1352 3.902,1353 5.962,1354 0.112,1355 0.046,1356 6.482,1357 2.444,1358 4.855,1359 0.074,1360 0.026,1361 5.342,1362 1.695,1363 0.394,1364 68.713,1365 0.265,1366 19.616,1367 0.738,1368 110,1369 374.224,1370 156.118,1371 384.989,1372 519.45,1373 352,1374 129,1375 366.018,1376 180.962,1377 401.892,1378 576.91,1379 373,1380 5}
{0 CHEMBL2059909,1 1.793,2 9.417,3 1.184,4 1.403,5 92.917,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.983,13 3.358,14 4.382,15 4.55,16 3.996,17 3.772,18 5.757,19 3.74,20 4.599,21 4.772,22 4.014,23 3.937,24 5.785,25 3.847,26 4.789,27 5.039,28 3.939,29 3.905,30 5.977,31 3.795,32 4.559,33 4.739,34 3.756,35 3.727,36 5.893,37 3.676,38 4.405,39 4.597,40 3.679,41 3.676,42 5.59,43 3.584,44 4.47,45 4.734,46 3.584,47 3.542,48 5.592,49 3.45,50 4.132,51 4.321,52 3.438,53 3.383,54 5.416,55 3.296,56 0.14,57 0.713,58 10.59,59 3.7,60 19.014,61 4.451,62 0.428,63 1.085,64 17.255,65 6.268,66 61.238,67 7.902,68 0.362,69 1.285,70 22.948,71 7.857,72 40.28,73 9.501,74 0.642,75 1.266,76 39.521,77 10.887,78 83.623,79 13.371,80 0.634,81 1.033,82 22.641,83 6.887,84 104.053,85 7.928,86 0.258,87 1.006,88 18.924,89 6.59,90 31.711,91 8.567,92 0.557,93 0.933,94 23.49,95 6.076,96 57.742,97 8.554,98 0.31,99 0.743,100 13.229,101 4.673,102 40.27,103 6.196,104 40,105 40,106 0.312,107 0.663,108 0.755,109 0.783,110 0.783,111 0.783,112 3.229,113 1.008,114 -2.85,115 -2.86,116 -2.77,119 35.7,120 3,130 1,142 3,143 2,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 4,177 2,178 4,180 3,183 6,187 9,189 1,190 1,192 1,195 2,198 2,199 13,202 1,204 2,207 1,209 1,211 1,212 5,217 3,220 3,222 2,223 1,224 6,229 2,232 3,234 1,236 3,237 2,240 1,242 2,245 3,247 1,249 2,252 1,253 2,258 3,262 2,263 3,266 1,271 3,275 762,276 15.091,277 15.091,278 15.091,279 15.091,280 15.091,281 13.005,282 10.781,283 8.506,284 15.525,285 12.875,286 12.875,287 12.875,288 12.875,289 12.875,290 9.617,291 11.314,292 4.082,293 13.601,294 3.599,295 1.579,296 1.049,297 0.888,298 0.888,299 0.888,300 3.898,304 1,305 1,306 475,307 4,310 56.166,311 138.836,314 96.253,318 1.5,319 31.499,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 53,331 226,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,339 12.767,340 3.217,341 4.503,342 3.18,343 6.362,344 4.008,345 3.05,346 4.444,348 9.806,349 2.936,350 4.119,351 3.052,352 6.312,353 3.904,354 2.951,355 3.69,357 9.639,358 2.785,359 3.991,360 2.716,361 6.032,362 3.653,363 2.683,364 3.054,366 8.715,367 2.583,368 3.454,369 2.077,370 4.899,371 2.942,372 2,373 2.851,375 5.546,376 1.888,377 3.21,378 1.799,379 4.784,380 2.716,381 1.765,382 2.488,384 5.094,385 1.671,386 3.013,387 1.521,388 4.452,389 2.476,390 1.518,391 2.262,393 4.343,394 1.45,395 2.733,396 1.329,397 4.222,398 2.213,399 1.236,400 1.825,402 3.528,403 1.204,404 2.579,405 1.101,406 3.498,407 2.023,408 1.083,409 1.614,411 2.497,412 1.015,413 1.903,414 0.412,415 3.278,416 1.374,417 0.41,418 0.61,420 1.08,421 0.394,422 1,423 0.206,424 3.161,425 0.638,426 -0.324,427 -0.358,428 -1.098,429 -0.308,430 0.963,431 -0.28,432 2.687,433 0.513,434 -0.435,435 -0.574,436 -1.201,437 -0.411,438 0.861,439 -0.348,440 2.593,441 0.284,442 -0.652,443 -0.851,445 -1.628,446 -0.603,447 0.756,448 -0.604,449 2.209,450 0.161,451 -0.782,452 -1,454 -2.208,455 -0.725,456 0.657,457 -0.946,458 2,460 -1,461 -1,463 -2.705,464 -0.946,465 11.4,466 0.475,467 1.033,468 0.043,469 33.25,470 1.385,471 17.5,472 0.729,473 15.75,474 0.656,475 18.791,476 0.783,477 26.4,478 0.629,479 24.802,480 1.033,481 6.124,482 0.255,483 5.015,484 0.209,485 0.225,486 0.117,487 0.254,493 0.617,494 1.42,495 0.822,496 1.277,497 0.791,498 0.959,499 0.532,500 1.027,501 0.71,502 0.874,503 0.457,504 0.78,505 1.117,506 1.233,507 1.243,508 1.268,509 0.975,510 1.229,511 1.003,512 0.875,513 1.234,514 1.125,515 1.007,516 0.799,517 2.112,518 0.901,519 1.161,520 0.822,521 2.514,522 0.976,523 0.867,524 1.384,525 1.085,526 1.354,527 0.836,528 1.305,529 1.021,530 0.73,531 0.86,532 0.716,533 1.028,534 0.778,535 0.833,536 1.137,537 0.951,538 1.167,539 1.007,540 1.278,541 8.5,542 0.116,543 3.111,544 2.479,545 1.288,546 1.045,547 0.58,548 0.484,549 0.302,550 0.244,551 5877,552 18016,553 1.972,554 42.9,556 3,557 1,558 2,559 3,561 9,564 1.67,565 1.778,566 3.22,567 1.121,568 1,569 1,571 1,573 75.306,574 1.793,575 3.814,576 4.344,577 4.505,578 4.505,579 4.505,580 2.705,581 4.137,582 4.559,583 3.377,584 932.103,585 7.869,586 10740.9,587 1,588 1,591 226.477,592 1.825,593 4.459,594 0.327,595 0.011,596 0.078,597 0.069,598 0.036,599 0.035,600 0.021,601 0.02,602 0.015,603 0.015,604 0.627,605 0.33,606 1,607 1.264,608 113.18,609 0.078,610 -0.137,611 0.215,612 -0.083,613 -0.218,614 0.023,615 0.366,616 0.106,617 0.206,618 0.14,619 0.366,620 0.175,621 -0.212,622 -0.103,623 -0.209,624 -0.172,625 -0.139,626 -0.263,627 0.052,628 0.033,629 0.064,630 0.062,631 0.134,632 0.256,633 -0.513,634 0.037,635 -0.251,636 0.099,637 -0.497,638 -0.069,639 -0.058,640 -0.346,641 -0.16,642 -0.329,643 -0.047,644 -0.309,645 0.022,646 0.175,647 0.109,648 0.181,649 -0.04,650 0.184,651 0.123,652 -0.108,653 -0.109,654 -0.23,655 0.003,656 -0.323,657 4.571,658 5.452,659 0.625,660 18.396,661 1.015,662 1.139,663 1.624,664 2.638,665 0.67,666 3.296,667 3.714,668 3.871,669 4.174,670 4.317,671 4.369,672 4.554,673 4.654,674 4.663,675 4.718,676 5.691,677 0.641,678 346.46,679 3.296,680 4.89,681 5.727,682 6.65,683 7.506,684 8.426,685 9.291,686 10.207,687 11.078,688 11.99,689 14.3,691 1,693 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,722 1,731 42,733 18,735 26,737 44,738 15,739 11,746 3,747 4,752 3,761 11,762 4,763 1,766 2,769 1,771 2,777 1,778 1,781 18,782 7,783 3,784 9,785 1,790 6,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 3,848 24,849 1,852 1,855 1,860 1,867 1,870 4.8,873 2,877 13.5,878 8.383,879 4.889,880 2.232,881 3.312,882 1.468,883 0.977,884 3.978,885 10.388,886 3.611,887 4.327,888 4.857,889 5.499,890 6.017,891 6.376,892 6.896,893 7.324,894 7.606,895 8.016,896 1,897 36,898 9.066,900 4.133,901 8,902 16.503,904 13.658,905 2.5,906 60,910 176.567,911 99.39,912 100.7,914 44.313,916 5.807,917 93.583,918 220.879,919 100.7,920 26.476,922 92.586,923 119.805,924 27.181,925 13.67,926 141.253,928 176.567,929 194.283,930 44.313,931 5.807,933 70.627,934 150.253,937 65.754,938 78.295,939 56.042,941 176.567,942 145.013,943 99.39,945 5.807,946 176.567,947 11.536,948 83.211,949 16.405,950 127.444,951 176.567,952 145.013,953 99.39,955 0.611,956 0.316,957 0.174,958 0.088,959 21,960 10,961 0.091,962 4,963 1,964 1.133,965 3.451,966 197.83,967 0.133,968 15,969 101.284,973 1,974 16.681,975 5.724,976 3.685,977 0.613,978 143.849,979 9.786,980 12.158,984 1.694,986 49.302,987 420.97,988 36,991 -3.654,993 24.904,999 42.643,1000 47.82,1001 0.333,1002 0.707,1003 0.806,1004 0.835,1005 0.835,1006 0.835,1007 4.89,1008 1.236,1009 5.826,1010 4.343,1011 4.394,1012 5.014,1014 6.73,1015 4.29,1016 6.194,1017 1.083,1018 7.456,1019 3.528,1020 4.443,1021 5.255,1023 8.089,1024 4.278,1025 7.584,1026 0.41,1027 9.198,1028 2.497,1029 6.184,1030 7.42,1032 11.054,1033 5.964,1034 9.01,1035 -0.324,1036 11.004,1037 1.08,1038 6.929,1039 8.393,1041 13.133,1042 6.639,1043 10.463,1044 -0.435,1045 12.85,1046 -1.098,1047 8.292,1048 10.152,1050 15.757,1051 7.947,1052 11.938,1053 -0.652,1054 14.723,1055 -1.201,1056 9.306,1057 11.438,1059 18.103,1060 8.886,1061 13.429,1062 -0.782,1063 16.615,1064 -1.628,1065 10.55,1066 13.051,1068 20.642,1069 10.07,1070 3.464,1071 -1,1072 18.524,1073 -2.208,1074 11.673,1075 14.474,1077 23.095,1078 11.117,1079 3.05,1080 12.767,1081 20.444,1082 -2.705,1083 12.883,1084 16.033,1086 25.62,1087 12.26,1088 2.951,1089 9.806,1090 22.375,1091 4.714,1092 14.054,1093 17.515,1095 28.12,1096 13.354,1097 2.683,1098 9.639,1099 24.314,1100 4.444,1101 15.258,1102 19.055,1104 30.648,1105 14.487,1106 2,1107 8.715,1108 26.26,1109 3.69,1110 16.452,1111 20.564,1113 33.171,1114 15.604,1115 1.765,1116 5.546,1117 28.213,1118 3.054,1119 17.66,1120 22.098,1122 35.705,1123 16.738,1124 1.518,1125 5.094,1126 30.171,1127 2.851,1128 18.868,1129 23.62,1131 38.239,1132 17.867,1133 5837,1134 10391,1135 16.296,1136 28.159,1137 41.07,1138 40.995,1139 41.019,1140 40.331,1141 40.321,1142 55.103,1144 126.03,1145 38.289,1146 5.723,1147 6.691,1148 6.898,1149 5.463,1150 5.464,1151 7.714,1153 20.458,1154 5.173,1155 14.957,1156 1.58,1157 1.577,1158 1.578,1159 1.551,1160 1.551,1161 2.119,1163 4.847,1164 1.473,1165 4.137,1166 4.175,1167 4.736,1168 4.07,1169 7.717,1170 4.019,1171 4.017,1172 4.019,1173 4.073,1174 3.884,1175 6.999,1176 3.862,1177 3.719,1178 3.778,1179 3.683,1180 3.575,1181 5.303,1182 3.574,1183 3.516,1184 3.522,1185 3.494,1186 3.399,1187 4.883,1188 3.353,1189 3.298,1190 3.357,1191 3.242,1192 3.096,1193 4.734,1194 3.11,1195 2.906,1196 3.009,1197 2.802,1198 2.753,1199 4.368,1200 2.753,1201 2.874,1202 3.009,1203 2.679,1204 2.618,1205 4.147,1206 2.57,1207 2.874,1208 2.981,1209 2.499,1210 2.618,1211 3.9,1212 2.57,1213 0.188,1214 0.18,1215 0.283,1216 0.169,1217 0.133,1218 4.877,1219 0.181,1220 4.691,1222 7.356,1223 0.491,1224 4.395,1225 0.124,1226 3.464,1227 4.714,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.785,1246 1.843,1247 0.943,1248 1.855,1249 1.334,1250 1.335,1251 1.448,1252 1.651,1253 0.48,1254 1.602,1255 1.29,1256 1.222,1257 1.417,1258 1.487,1259 0.469,1260 1.524,1261 0.934,1262 0.821,1263 1.417,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.147,1270 1.239,1271 0.23,1272 1.308,1273 0.875,1274 0.804,1275 1.091,1276 1.132,1277 0.061,1278 1.123,1279 3.97,1281 5.361,1282 2.398,1283 6.915,1284 4.727,1285 8.542,1286 6.804,1287 10.21,1289 5.348,1293 5.576,1296 2.612,1301 -0.577,1305 26.906,1306 75.306,1307 160.174,1308 182.438,1309 189.193,1310 189.193,1311 189.193,1312 49.706,1313 7.077,1314 115.27,1315 123.65,1316 17,1317 12.512,1318 4.248,1319 3.459,1320 39.265,1321 82,1322 78,1323 0.239,1324 171.873,1325 281.89,1326 411.13,1327 10155,1329 17.535,1330 0.731,1331 0.599,1332 17.785,1333 14.372,1334 11.139,1335 0.428,1336 0.336,1337 7.262,1338 9.889,1339 6.831,1340 5.768,1341 11.96,1342 8.737,1343 12.019,1344 0.3,1345 0.203,1346 13.306,1347 8.138,1348 8.063,1349 0.172,1350 0.104,1351 9.24,1352 4.87,1353 7.397,1354 0.116,1355 0.057,1356 8.634,1357 3.663,1358 5.306,1359 0.072,1360 0.029,1361 6.019,1362 2.168,1363 0.37,1364 78.577,1365 0.248,1366 23.159,1367 0.672,1368 132,1369 410.557,1370 184.4,1371 422.812,1372 574.57,1373 386,1374 153,1375 409.396,1376 215.697,1377 452.462,1378 653.35,1379 419,1380 5.6}
{0 CHEMBL2059910,1 1.816,2 11.607,3 1.047,4 1.097,5 104.872,6 8.235,7 0.533,8 4.007,9 4.129,10 3.793,11 3.499,12 5.144,13 3.482,14 4.536,15 4.713,16 4.116,17 3.875,18 5.908,19 3.851,20 4.742,21 4.918,22 4.146,23 4.036,24 5.955,25 3.965,26 4.919,27 5.161,28 4.111,29 4.01,30 6.182,31 3.927,32 4.709,33 4.893,34 3.967,35 3.868,36 6.034,37 3.839,38 4.583,39 4.768,40 3.903,41 3.851,42 5.813,43 3.79,44 4.674,45 4.92,46 3.809,47 3.761,48 5.831,49 3.69,50 4.388,51 4.578,52 3.651,53 3.645,54 5.606,55 3.558,56 0.167,57 0.818,58 11.849,59 4.115,60 17.743,61 5.097,62 0.599,63 1.225,64 20.308,65 6.903,66 68.662,67 8.958,68 0.49,69 1.43,70 26.44,71 8.672,72 52.73,73 10.736,74 0.924,75 1.416,76 43.224,77 11.243,78 114.093,79 14.148,80 0.799,81 1.211,82 25.917,83 7.49,84 111.143,85 9.114,86 0.377,87 1.209,88 21.599,89 7.055,90 35.406,91 9.388,92 0.709,93 1.136,94 27.302,95 6.986,96 71.378,97 9.927,98 0.395,99 0.944,100 16.921,101 6.18,102 44.826,103 8.287,104 62,105 45,106 0.305,107 0.666,108 0.783,109 0.806,110 0.806,111 0.806,112 3.374,113 0.99,114 -2.61,115 -2.64,116 -2.57,119 34.7,120 3,124 1,130 1,142 3,143 2,144 1,145 2,150 1,151 1,159 1,161 1,166 1,172 4,174 3,175 4,178 6,179 1,180 3,183 6,187 9,190 1,192 1,195 2,198 4,199 13,202 3,204 2,207 1,211 2,212 5,215 1,217 3,220 3,223 1,224 7,229 3,232 3,236 3,237 4,240 1,242 4,245 3,249 2,250 1,253 2,255 1,258 3,262 2,263 4,266 1,268 1,271 3,275 1222,276 17.823,277 17.823,278 17.823,279 17.823,280 17.823,281 15.635,282 16.179,283 10.138,284 18.342,285 14.786,286 14.786,287 14.786,288 14.786,289 14.786,290 11.246,291 19.644,292 4.798,293 15.59,294 3.799,295 1.649,296 0.955,297 0.817,298 0.817,299 0.817,300 4.046,304 1,305 1,306 673,307 4.583,310 67.034,311 170.891,314 118.116,318 1.964,319 38.1,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 62.5,331 325,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.542,343 6.365,344 4.016,345 3.062,346 4.449,347 0.247,348 9.834,349 2.939,350 4.127,351 3.18,352 6.322,353 3.909,354 2.955,355 3.695,357 9.671,358 2.79,359 3.995,360 3.048,361 6.045,362 3.679,363 2.709,364 3.071,366 8.781,367 2.607,368 3.712,369 2.719,370 5.33,371 3.345,372 2.382,373 2.984,375 6.828,376 2.28,377 3.399,378 2.139,379 4.875,380 2.886,381 1.921,382 2.73,384 5.367,385 1.851,386 3.172,387 1.814,388 4.677,389 2.688,390 1.736,391 2.406,393 4.92,394 1.644,395 3.011,396 1.523,397 4.452,398 2.476,399 1.517,400 2.252,402 4.343,403 1.45,404 2.733,405 1.334,406 4.226,407 2.215,408 1.237,409 1.824,411 3.54,412 1.206,413 2.579,414 1.107,415 3.498,416 2.024,417 1.084,418 1.614,420 2.498,421 1.015,422 1.903,423 1.095,424 3.278,425 1.375,426 0.413,427 0.611,428 1.082,429 0.396,430 1.502,431 0.423,432 3.161,433 1.298,434 0.369,435 0.397,436 0.531,437 0.34,438 1.105,439 0.371,440 2.85,441 0.672,442 -0.315,443 -0.358,445 -0.791,446 -0.304,447 1,448 0.206,449 2.681,450 0.637,451 -0.326,452 -0.416,454 -1.134,455 -0.313,456 0.888,457 -0.28,458 2.584,459 0.42,460 -0.538,461 -0.731,463 -1.433,464 -0.509,465 13.133,466 0.469,467 1.101,468 0.039,469 37.75,470 1.348,471 19,472 0.679,473 18.75,474 0.67,475 22.863,476 0.817,477 31.267,478 0.638,479 30.637,480 1.094,481 7.182,482 0.257,483 5.888,484 0.21,485 0.228,486 0.102,487 0.259,493 0.637,494 1.566,495 0.81,496 1.336,497 0.672,498 1.005,499 0.51,500 0.959,501 0.721,502 0.845,503 0.477,504 0.778,505 1.113,506 1.291,507 1.196,508 1.261,509 1.011,510 1.191,511 1.002,512 0.845,513 1.226,514 1.076,515 1.047,516 0.787,517 1.752,518 0.928,519 1.081,520 0.802,521 2.014,522 0.916,523 0.945,524 1.378,525 1.099,526 1.299,527 0.791,528 1.254,529 1.092,530 0.8,531 0.927,532 0.77,533 1.048,534 0.85,535 0.767,536 1.124,537 0.936,538 1.169,539 0.854,540 1.277,541 9.5,542 0.187,543 3.333,544 2.729,545 1.413,546 1.316,547 0.717,548 0.565,549 0.382,550 0.274,551 9177,552 29695,553 1.956,554 42.9,556 6,557 1,558 2,559 3,561 9,564 1.709,565 1.768,566 3.488,567 1.059,568 1,569 1,573 88.989,574 1.816,575 3.966,576 4.66,577 4.798,578 4.798,579 4.798,580 2.985,581 4.352,582 4.775,583 3.671,584 1387.46,585 8.3,586 18317.9,588 1,591 275.121,592 1.796,593 4.685,594 0.317,595 0.01,596 0.074,597 0.065,598 0.033,599 0.035,600 0.02,601 0.018,602 0.015,603 0.012,604 0.598,605 0.33,606 0.88,607 1.488,608 141.08,609 0.038,610 -0.251,611 0.197,612 -0.127,613 -0.154,614 -0.01,615 0.365,616 0.191,617 0.201,618 0.168,619 0.296,620 0.178,621 -0.207,622 -0.159,623 -0.164,624 -0.153,625 -0.136,626 -0.213,627 0.072,628 0.093,629 0.055,630 0.086,631 0.101,632 0.242,633 -0.366,634 0.052,635 -0.171,636 0.119,637 -0.372,638 -0.004,639 -0.141,640 -0.268,641 -0.198,642 -0.282,643 -0.057,644 -0.278,645 -0.082,646 0.145,647 0.017,648 0.126,649 -0.083,650 0.103,651 0.062,652 -0.08,653 -0.114,654 -0.197,655 -0.025,656 -0.281,657 4.622,658 5.553,659 0.536,660 28.281,661 1.02,662 1.142,663 1.385,664 1.918,665 0.661,666 3.434,667 3.829,668 3.989,669 4.277,670 4.443,671 4.554,672 4.754,673 4.86,674 4.927,675 5.03,676 6.803,677 0.636,678 403.52,679 3.434,680 5.017,681 5.849,682 6.763,683 7.616,684 8.531,685 9.395,686 10.308,687 11.18,688 12.092,689 14.3,691 1,696 2,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 49,733 19,735 30,737 51,738 17,739 11,746 3,747 4,751 1,752 3,761 12,762 5,763 1,766 3,769 1,771 3,775 1,778 1,781 21,782 9,783 3,784 11,785 1,790 7,794 0.667,795 3,805 2,811 1,812 2,815 1,840 2,842 1,844 4,848 28,852 1,855 3,860 1,867 1,870 6.1,873 3,877 15.833,878 9.967,879 5.889,880 2.628,881 3.389,882 1.454,883 0.96,884 5.392,885 10.854,886 3.738,887 4.416,888 4.925,889 5.557,890 6.088,891 6.497,892 7.029,893 7.455,894 7.792,895 8.229,896 0.875,897 42,898 10.562,900 4.738,901 8.06,902 19.128,904 15.48,905 2.56,906 71.667,910 211.88,911 112.063,912 103.825,914 69.458,916 5.807,917 106.255,918 281.338,919 103.825,920 34.872,921 36.022,922 59.689,923 144.949,924 27.181,925 17.946,926 176.567,928 211.88,929 210.08,930 69.458,931 5.807,933 105.94,934 175.398,937 101.775,938 58.07,939 56.042,941 211.88,942 173.282,943 112.063,945 5.807,946 211.88,947 15.812,948 91.607,949 52.426,950 119.692,951 211.88,952 173.282,953 112.063,955 0.601,956 0.316,957 0.166,958 0.086,959 22,960 11,961 0.098,962 5,963 1,964 1.133,965 3.809,966 239.811,967 0.133,968 15,969 127.851,973 1,974 20.208,975 7.472,976 4.858,977 0.529,978 172.118,979 9.587,980 12.443,984 1.528,986 52.426,987 497.225,988 41,991 -3.705,993 36.501,997 -0.426,999 49.956,1000 55.943,1001 0.323,1002 0.706,1003 0.83,1004 0.854,1005 0.854,1006 0.854,1007 5.011,1008 1.517,1009 5.932,1010 4.92,1011 4.511,1012 5.103,1013 1.758,1014 6.819,1015 4.408,1016 6.297,1017 1.237,1018 7.551,1019 4.343,1020 4.511,1021 5.316,1022 1.195,1023 8.138,1024 4.356,1025 7.676,1026 1.084,1027 9.28,1028 3.54,1029 6.275,1030 7.472,1031 2.415,1032 11.103,1033 6.056,1034 9.091,1035 0.413,1036 11.074,1037 2.498,1038 6.986,1039 8.429,1040 2.324,1041 13.16,1042 6.703,1043 10.534,1044 0.369,1045 12.908,1046 1.082,1047 8.354,1048 10.18,1049 3.244,1050 15.781,1051 8.01,1052 12,1053 -0.315,1054 14.771,1055 0.531,1056 9.348,1057 11.458,1058 3.407,1059 18.117,1060 8.933,1061 13.482,1062 -0.326,1063 16.655,1064 -0.791,1065 10.592,1066 13.066,1067 4.156,1068 20.654,1069 10.112,1070 3.464,1071 -0.538,1072 18.556,1073 -1.134,1074 11.704,1075 14.486,1076 4.464,1077 23.104,1078 11.15,1079 3.062,1080 12.767,1081 20.47,1082 -1.433,1083 12.912,1084 16.042,1085 5.111,1086 25.627,1087 12.289,1088 2.955,1089 9.834,1090 22.396,1091 4.714,1092 14.077,1093 17.524,1094 5.504,1095 28.125,1096 13.377,1097 2.709,1098 9.671,1099 24.331,1100 4.449,1101 15.279,1102 19.062,1103 6.091,1104 30.652,1105 14.507,1106 2.382,1107 8.781,1108 26.274,1109 3.695,1110 16.47,1111 20.571,1112 6.531,1113 33.174,1114 15.621,1115 1.921,1116 6.828,1117 28.225,1118 3.071,1119 17.676,1120 22.104,1121 7.083,1122 35.708,1123 16.752,1124 1.736,1125 5.367,1126 30.181,1127 2.984,1128 18.882,1129 23.626,1130 7.551,1131 38.241,1132 17.88,1133 9201,1134 16741,1135 18.781,1136 32.381,1137 46.244,1138 47.602,1139 47.171,1140 45.651,1141 45.7,1142 61.493,1143 3.806,1144 140.325,1145 43.471,1146 5.723,1147 6.691,1148 6.907,1149 5.463,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.173,1155 18.43,1156 1.541,1157 1.587,1158 1.572,1159 1.522,1160 1.523,1161 2.05,1162 0.127,1163 4.678,1164 1.449,1165 4.14,1166 4.178,1167 4.736,1168 4.07,1169 7.717,1170 4.02,1171 4.019,1172 4.02,1173 4.079,1174 3.886,1175 7.431,1176 3.864,1177 3.725,1178 3.783,1179 3.692,1180 3.578,1181 6.999,1182 3.578,1183 3.59,1184 3.653,1185 3.505,1186 3.407,1187 5.154,1188 3.383,1189 3.494,1190 3.501,1191 3.486,1192 3.271,1193 4.845,1194 3.287,1195 3.25,1196 3.319,1197 3.172,1198 3.037,1199 4.37,1200 3.052,1201 2.97,1202 3.047,1203 2.804,1204 2.756,1205 4.334,1206 2.756,1207 2.906,1208 3.009,1209 2.785,1210 2.668,1211 4.184,1212 2.688,1213 0.163,1214 0.156,1215 0.245,1216 0.146,1217 0.115,1218 4.877,1219 0.157,1220 4.691,1221 0.055,1222 7.356,1223 0.426,1224 4.395,1225 0.107,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.785,1246 1.843,1247 0.943,1248 1.855,1249 1.491,1250 1.421,1251 1.712,1252 1.826,1253 0.693,1254 1.784,1255 1.314,1256 1.329,1257 1.417,1258 1.543,1259 0.482,1260 1.529,1261 1.23,1262 1.141,1263 1.417,1264 1.487,1265 0.469,1266 1.518,1267 0.934,1268 0.831,1269 1.413,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.804,1275 1.153,1276 1.239,1277 0.326,1278 1.308,1279 4.111,1281 5.485,1282 2.398,1283 7.024,1284 4.727,1285 8.638,1286 6.823,1287 10.295,1289 6.798,1296 7.525,1301 -0.608,1305 31.169,1306 88.989,1307 194.327,1308 228.327,1309 235.082,1310 235.082,1311 235.082,1312 66.228,1313 7.465,1314 130.38,1315 138.76,1316 17,1317 12.614,1318 4.322,1319 3.585,1320 49.802,1321 114,1322 124,1323 0.217,1324 198.921,1325 333.64,1326 477.126,1327 16881,1329 20.527,1330 0.733,1331 0.597,1332 20.777,1333 16.702,1334 13.071,1335 0.436,1336 0.33,1337 8.381,1338 11.648,1339 7.907,1340 6.694,1341 13.892,1342 9.902,1343 13.529,1344 0.301,1345 0.196,1346 14.816,1347 8.807,1348 9.358,1349 0.177,1350 0.1,1351 10.534,1352 5.306,1353 8.148,1354 0.115,1355 0.054,1356 9.385,1357 3.862,1358 5.942,1359 0.071,1360 0.028,1361 6.655,1362 2.315,1363 0.342,1364 91.423,1365 0.231,1366 26.736,1367 0.591,1368 150,1369 501.646,1370 207.195,1371 504.781,1372 679.45,1373 462,1374 173,1375 479.85,1376 239.856,1377 521.379,1378 753.5,1379 483,1380 5.3}
{0 CHEMBL2059911,1 1.795,2 13.188,3 0.941,4 0.885,5 118.843,6 8.063,7 0.457,8 4.166,9 4.281,10 3.923,11 3.645,12 5.247,13 3.633,14 4.736,15 4.909,16 4.254,17 4.038,18 6.015,19 4.018,20 4.96,21 5.147,22 4.286,23 4.21,24 6.09,25 4.137,26 5.1,27 5.343,28 4.243,29 4.171,30 6.313,31 4.085,32 4.917,33 5.116,34 4.118,35 4.011,36 6.226,37 3.982,38 4.742,39 4.933,40 4.064,41 3.985,42 5.931,43 3.936,44 4.832,45 5.073,46 4.014,47 3.923,48 5.986,49 3.875,50 4.581,51 4.759,52 3.877,53 3.87,54 5.75,55 3.798,56 0.175,57 0.933,58 13.834,59 4.972,60 20.128,61 6.218,62 0.733,63 1.437,64 25.199,65 8.291,66 73.437,67 10.741,68 0.678,69 1.709,70 33.734,71 10.622,72 62.451,73 13.65,74 1.026,75 1.682,76 49.479,77 13.155,78 125.2,79 17.1,80 1.105,81 1.423,82 33.416,83 8.932,84 138.622,85 11.462,86 0.449,87 1.411,88 25.872,89 7.905,90 45.921,91 10.931,92 0.889,93 1.371,94 31.255,95 7.379,96 78.729,97 10.919,98 0.48,99 1.174,100 20.151,101 7.405,102 44.754,103 9.957,104 40,105 52,106 0.292,107 0.639,108 0.771,109 0.791,110 0.791,111 0.791,112 3.502,113 0.993,114 -2.59,115 -2.61,116 -2.54,119 35.1,120 3,125 4,130 1,142 3,143 2,144 1,145 2,150 1,151 1,159 1,161 1,166 1,172 4,174 4,175 4,178 6,180 3,183 6,186 1,187 9,190 1,192 1,195 2,198 6,199 13,202 1,204 2,207 1,211 4,212 5,215 1,217 3,220 3,223 1,224 8,229 2,232 3,236 5,237 6,240 1,242 2,245 3,249 3,250 2,253 2,258 3,262 2,263 6,266 1,271 3,275 1770,276 20.728,277 20.728,278 20.728,279 20.728,280 20.728,281 18.565,282 20.741,283 11.964,284 21.437,285 17.336,286 17.336,287 17.336,288 17.336,289 17.336,290 13.849,291 26.212,292 5.748,293 18.465,294 4.038,295 1.904,296 1.088,297 0.97,298 0.97,299 0.97,300 4.191,304 1,305 1,306 900,307 4.528,310 76.219,311 313.061,314 136.687,318 2.25,319 44.938,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 71.5,331 422,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.701,339 12.767,340 3.217,341 4.512,342 3.69,343 6.366,344 4.019,345 3.067,346 4.449,347 0.86,348 9.839,349 2.94,350 4.132,351 3.18,352 6.324,353 3.912,354 2.958,355 3.696,356 0.563,357 9.676,358 2.792,359 4.002,360 3.055,361 6.075,362 3.756,363 2.805,364 3.165,365 0.075,366 8.85,367 2.658,368 3.94,369 2.728,370 6.003,371 3.627,372 2.665,373 3.045,375 8.539,376 2.543,377 3.464,378 2.558,379 5.135,380 3.027,381 2.101,382 2.825,384 6.246,385 1.947,386 3.245,387 2.144,388 4.866,389 2.79,390 1.827,391 2.5,393 5.284,394 1.752,395 3.02,396 1.924,397 4.453,398 2.583,399 1.655,400 2.268,402 4.345,403 1.528,404 2.879,405 1.812,406 4.245,407 2.472,408 1.518,409 1.895,411 3.889,412 1.441,413 2.73,414 1.523,415 4.157,416 2.218,417 1.242,418 1.807,420 3.523,421 1.207,422 2.579,423 1.334,424 3.499,425 2.025,426 1.088,427 1.614,428 2.505,429 1.016,430 2.177,431 1.256,432 3.44,433 1.952,434 1,435 1.111,436 2.424,437 0.946,438 2,439 1.104,440 3.278,441 1.915,442 1,443 1,445 2.136,446 0.899,447 1.903,448 0.455,449 3.247,450 1.374,451 0.41,452 0.61,454 1.081,455 0.394,456 1.106,457 0.402,458 3.161,459 0.697,460 -0.27,461 -0.334,463 -0.74,464 -0.257,465 14.967,466 0.468,467 1.153,468 0.036,469 41,470 1.281,471 19,472 0.594,473 22,474 0.688,475 28.474,476 0.89,477 36.033,478 0.632,479 34.245,480 1.07,481 7.744,482 0.242,483 7.362,484 0.23,485 0.167,486 0.089,487 0.254,493 0.664,494 1.622,495 0.792,496 1.377,497 0.65,498 1.043,499 0.763,500 1.004,501 0.793,502 0.864,503 0.522,504 0.821,505 1.094,506 1.224,507 1.166,508 1.182,509 0.953,510 1.151,511 0.957,512 0.925,513 1.174,514 1.098,515 1.138,516 0.848,517 1.617,518 0.875,519 1.037,520 0.725,521 2.144,522 0.842,523 0.942,524 1.43,525 1.042,526 1.231,527 0.81,528 1.162,529 1.093,530 0.782,531 0.952,532 0.698,533 1.068,534 0.797,535 0.763,536 1.103,537 0.96,538 1.143,539 0.811,540 1.251,541 9.5,542 0.195,543 3.778,544 2.917,545 1.604,546 1.358,547 0.773,548 0.63,549 0.379,550 0.335,551 14680,552 43628,553 2.03,554 43.9,556 11,557 1,558 2,559 2,561 9,564 1.742,565 1.864,566 3.669,567 0.332,569 1,573 102.288,574 1.795,575 3.929,576 4.744,577 4.863,578 4.863,579 4.863,580 3.144,581 4.328,582 4.97,583 3.87,584 1919.56,585 8.678,586 28506.9,591 332.475,592 1.703,593 4.9,594 0.271,595 0.008,596 0.073,597 0.06,598 0.033,599 0.031,600 0.018,601 0.016,602 0.011,603 0.011,604 0.532,605 0.33,606 0.88,607 1.078,608 169.717,609 0.039,610 -0.306,611 0.198,612 -0.163,613 -0.122,614 -0.03,615 0.204,616 0.14,617 0.132,618 0.14,619 0.243,620 0.128,621 -0.173,622 -0.112,623 -0.147,624 -0.108,625 -0.111,626 -0.172,627 0.058,628 0.023,629 0.056,630 0.026,631 0.086,632 0.172,633 -0.23,634 0.082,635 -0.094,636 0.174,637 -0.319,638 0.067,639 -0.134,640 -0.306,641 -0.13,642 -0.229,643 -0.059,644 -0.193,645 -0.079,646 0.237,647 -0.014,648 0.165,649 -0.091,650 0.114,651 0.043,652 0.005,653 -0.154,654 -0.165,655 -0.021,656 -0.265,657 4.636,658 5.65,659 0.656,660 37.227,661 1.018,662 1.14,663 1.359,664 1.846,665 0.655,666 3.584,667 3.97,668 4.159,669 4.443,670 4.615,671 4.691,672 4.898,673 5.03,674 5.142,675 5.273,676 7.765,677 0.63,678 459.59,679 3.584,680 5.165,681 6.004,682 6.911,683 7.767,684 8.674,685 9.539,686 10.445,687 11.316,688 12.221,689 12.3,691 1,696 2,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 57,733 19,735 35,737 60,738 20,739 11,746 4,747 5,751 1,752 3,761 12,762 8,763 1,766 3,769 1,771 3,775 1,778 1,781 25,782 10,783 2,784 12,785 1,790 7,794 0.75,795 4,805 2,811 1,812 3,815 1,839 1,840 3,842 1,844 3,848 32,852 1,854 4,855 2,856 1,859 1,860 1,867 1,870 7,873 3,874 1,877 17.167,878 11.083,879 6.667,880 3.232,881 3.347,882 1.417,883 0.967,884 6.187,885 11.367,886 3.85,887 4.497,888 5.001,889 5.613,890 6.13,891 6.527,892 7.06,893 7.497,894 7.847,895 8.292,896 0.889,897 49,898 12.114,900 5.481,901 7.958,902 22.296,904 18.452,905 2.458,906 78.667,910 270.735,911 117.062,912 88.938,914 80.458,916 5.807,917 111.255,918 351.193,919 88.938,920 26.476,921 34.531,922 59.689,923 155.949,924 27.181,925 17.946,926 235.422,928 270.735,929 200.193,930 80.458,931 5.807,933 164.795,934 175.398,935 11,937 100.285,938 49.674,939 56.042,941 270.735,942 169.396,943 117.062,945 5.807,946 270.735,947 29.208,948 86.335,949 34.416,950 130.692,951 270.735,952 169.396,953 117.062,955 0.6,956 0.321,957 0.174,958 0.089,959 26,960 12,961 0.083,962 5,963 1,964 1.095,965 4.252,966 292.151,967 0.095,968 21,969 149.245,973 1,974 22.616,975 8.754,976 5.445,977 0.539,978 168.232,979 9.682,980 12.734,984 1.566,986 34.416,987 557.194,988 46,991 -3.719,993 37.661,997 -0.28,999 58.051,1000 64.983,1001 0.308,1002 0.674,1003 0.813,1004 0.834,1005 0.834,1006 0.834,1007 5.13,1008 1.655,1009 6.066,1010 5.284,1011 4.654,1012 5.185,1013 2.069,1014 6.94,1015 4.537,1016 6.39,1017 1.518,1018 7.674,1019 4.345,1020 4.575,1021 5.345,1022 1.305,1023 8.209,1024 4.41,1025 7.756,1026 1.242,1027 9.393,1028 3.889,1029 6.392,1030 7.511,1031 2.596,1032 11.19,1033 6.156,1034 9.158,1035 1.088,1036 11.178,1037 3.523,1038 7.057,1039 8.451,1040 2.473,1041 13.219,1042 6.765,1043 10.594,1044 1,1045 13.005,1046 2.505,1047 8.45,1048 10.2,1049 3.415,1050 15.837,1051 8.092,1052 12.052,1053 1,1054 14.862,1055 2.424,1056 9.418,1057 11.472,1058 3.608,1059 18.156,1060 8.995,1061 13.53,1062 0.41,1063 16.739,1064 2.136,1065 10.669,1066 13.078,1067 4.365,1068 20.686,1069 10.179,1070 3.464,1071 -0.27,1072 18.633,1073 1.081,1074 11.765,1075 14.494,1076 4.717,1077 23.126,1078 11.205,1079 3.067,1080 12.767,1081 20.54,1082 -0.74,1083 12.972,1084 16.048,1085 5.374,1086 25.643,1087 12.343,1088 2.958,1089 9.839,1090 22.458,1091 4.714,1092 14.126,1093 17.528,1094 5.808,1095 28.137,1096 13.423,1097 2.805,1098 9.676,1099 24.386,1100 4.449,1101 15.325,1102 19.065,1103 6.409,1104 30.661,1105 14.55,1106 2.665,1107 8.85,1108 26.323,1109 3.696,1110 16.508,1111 20.573,1112 6.887,1113 33.18,1114 15.658,1115 2.101,1116 8.539,1117 28.267,1118 3.165,1119 17.711,1120 22.106,1121 7.458,1122 35.712,1123 16.785,1124 1.827,1125 6.246,1126 30.218,1127 3.045,1128 18.911,1129 23.627,1130 7.96,1131 38.244,1132 17.908,1133 14116,1134 24543,1135 22.652,1136 37.358,1137 54.121,1138 55.594,1139 54.064,1140 53.568,1141 53.599,1142 69.399,1143 6.4,1144 162.206,1145 50.56,1146 5.877,1147 6.691,1148 7.158,1149 5.498,1150 5.464,1151 7.714,1152 2.972,1153 20.458,1154 5.173,1155 18.584,1156 1.546,1157 1.588,1158 1.545,1159 1.531,1160 1.531,1161 1.983,1162 0.183,1163 4.634,1164 1.445,1165 4.142,1166 4.18,1167 4.736,1168 4.071,1169 7.717,1170 4.021,1171 4.019,1172 4.02,1173 4.08,1174 3.886,1175 7.429,1176 3.864,1177 3.806,1178 3.86,1179 3.724,1180 3.592,1181 6.999,1182 3.605,1183 3.714,1184 3.773,1185 3.665,1186 3.547,1187 5.154,1188 3.558,1189 3.522,1190 3.531,1191 3.495,1192 3.4,1193 4.845,1194 3.357,1195 3.37,1196 3.404,1197 3.316,1198 3.141,1199 4.615,1200 3.161,1201 3.128,1202 3.206,1203 3.078,1204 2.941,1205 4.368,1206 2.91,1207 3.111,1208 3.168,1209 2.866,1210 2.85,1211 4.321,1212 2.901,1213 0.139,1214 0.134,1215 0.21,1216 0.126,1217 0.099,1218 4.877,1219 0.135,1220 4.691,1221 0.049,1222 7.356,1223 0.365,1224 4.395,1225 0.092,1226 3.464,1227 4.714,1228 1.701,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.981,1241 1.192,1242 1.996,1243 1.712,1244 1.656,1245 1.918,1246 1.977,1247 1.137,1248 1.959,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.36,1256 1.338,1257 1.513,1258 1.671,1259 0.825,1260 1.615,1261 1.304,1262 1.28,1263 1.446,1264 1.487,1265 0.483,1266 1.524,1267 1.153,1268 1.064,1269 1.417,1270 1.376,1271 0.469,1272 1.429,1273 0.963,1274 0.92,1275 1.417,1276 1.292,1277 0.469,1278 1.308,1279 4.263,1281 5.631,1282 2.398,1283 7.171,1284 4.727,1285 8.785,1286 6.823,1287 10.439,1289 5.321,1295 2.034,1296 5.321,1297 5.253,1300 1.643,1301 -0.615,1305 35.937,1306 102.288,1307 223.968,1308 270.436,1309 277.191,1310 277.191,1311 277.191,1312 73.075,1313 8.019,1314 130.82,1315 139.2,1316 23,1317 12.746,1318 4.322,1319 3.585,1320 52.071,1321 150,1322 148,1323 0.17,1324 224.3,1325 381.97,1326 539.053,1327 36168,1329 22.933,1330 0.717,1331 0.59,1332 23.183,1333 18.886,1334 15.105,1335 0.432,1336 0.331,1337 10.022,1338 13.526,1339 9.583,1340 7.971,1341 15.926,1342 11.585,1343 15.391,1344 0.296,1345 0.195,1346 16.678,1347 10.133,1348 11.085,1349 0.176,1350 0.101,1351 12.261,1352 6.37,1353 9.833,1354 0.117,1355 0.055,1356 11.07,1357 4.639,1358 7.271,1359 0.073,1360 0.028,1361 7.984,1362 2.804,1363 0.272,1364 104.647,1365 0.21,1366 30.168,1367 0.454,1368 174,1369 574.694,1370 235.1,1371 566.147,1372 763.19,1373 522,1374 202,1375 536.894,1376 273.622,1377 575.675,1378 838.2,1379 535,1380 4.6}
{0 CHEMBL2059912,1 1.744,2 13.906,3 1.186,4 1.406,5 122.891,6 7.677,7 0.471,8 4.191,9 4.323,10 3.902,11 3.654,12 5.275,13 3.628,14 4.741,15 4.942,16 4.215,17 4.032,18 6.011,19 3.996,20 4.949,21 5.143,22 4.238,23 4.211,24 6.076,25 4.119,26 5.155,27 5.426,28 4.22,29 4.187,30 6.303,31 4.079,32 4.94,33 5.156,34 4.094,35 4.028,36 6.198,37 3.986,38 4.786,39 4.986,40 4.072,41 4.008,42 5.992,43 3.95,44 4.885,45 5.128,46 3.983,47 3.931,48 6.069,49 3.875,50 4.632,51 4.841,52 3.881,53 3.859,54 5.786,55 3.781,56 0.157,57 0.969,58 15.577,59 4.932,60 19.413,61 6.809,62 0.679,63 1.447,64 27.005,65 8.056,66 72.969,67 11.444,68 0.5,69 1.697,70 34.514,71 10.685,72 59.783,73 14.561,74 0.944,75 1.678,76 52.624,77 13.531,78 121.509,79 18.736,80 0.963,81 1.435,82 35.065,83 8.778,84 120.965,85 12.207,86 0.361,87 1.417,88 28.413,89 8.401,90 46.49,91 12.228,92 0.912,93 1.357,94 33.967,95 7.532,96 97.969,97 11.463,98 0.439,99 1.201,100 23.34,101 7.416,102 48.82,103 10.851,104 80,105 50,106 0.282,107 0.624,108 0.772,109 0.801,110 0.801,111 0.801,112 3.502,113 1.012,114 -2.59,115 -2.61,116 -2.54,119 33.3,120 3,124 2,125 2,130 1,142 3,143 2,144 1,145 2,150 1,151 1,159 1,161 1,166 1,172 4,174 3,175 4,178 6,179 1,180 3,183 6,187 9,190 2,192 1,195 2,198 4,199 13,202 3,204 2,207 1,211 3,212 5,215 2,217 3,220 3,223 1,224 7,229 3,232 3,236 5,237 4,240 1,242 4,245 3,249 3,250 1,253 2,255 1,258 3,262 2,263 5,266 1,268 1,271 3,275 1880,276 20.228,277 20.228,278 20.228,279 20.228,280 20.228,281 18.041,282 20.651,283 11.727,284 20.847,285 16.842,286 16.842,287 16.842,288 16.842,289 16.842,290 13.325,291 26.412,292 5.656,293 17.833,294 4.163,295 2.041,296 1.126,297 0.947,298 0.947,299 0.947,300 4.175,304 1,305 1,306 915,307 5.099,310 80.059,311 206.527,314 143.404,318 2.418,319 40.694,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 71,331 445,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.8,348 9.835,349 2.939,350 4.127,351 3.18,352 6.322,353 3.909,354 2.955,355 3.695,356 0.247,357 9.671,358 2.79,359 3.995,360 3.048,361 6.045,362 3.68,363 2.71,364 3.072,366 8.782,367 2.608,368 3.725,369 2.719,370 5.342,371 3.377,372 2.417,373 2.988,375 6.887,376 2.308,377 3.408,378 2.577,379 4.878,380 3.119,381 2.203,382 2.738,384 5.444,385 2.015,386 3.229,387 2.14,388 4.752,389 2.887,390 1.925,391 2.421,393 5.221,394 1.849,395 3.154,396 1.814,397 4.614,398 2.695,399 1.744,400 2.26,402 4.961,403 1.649,404 3.011,405 1.523,406 4.452,407 2.477,408 1.518,409 2.194,411 4.343,412 1.451,413 2.734,414 1.499,415 4.227,416 2.217,417 1.24,418 1.825,420 3.546,421 1.208,422 2.579,423 1.334,424 3.498,425 2.025,426 1.086,427 1.614,428 2.499,429 1.017,430 2.099,431 1.104,432 3.278,433 1.957,434 1,435 1.057,436 2.104,437 0.951,438 1.903,439 0.52,440 3.215,441 1.374,442 0.411,443 0.611,445 1.081,446 0.394,447 1.107,448 0.41,449 3.16,450 0.809,451 -0.114,452 -0.122,454 -0.291,455 -0.105,456 1,457 0.206,458 2.696,459 0.638,460 -0.324,461 -0.358,463 -0.957,464 -0.309,465 15.033,466 0.47,467 1.246,468 0.039,469 40.5,470 1.266,471 19,472 0.594,473 21.5,474 0.672,475 28.694,476 0.897,477 36.567,478 0.609,479 34.697,480 1.084,481 7.778,482 0.243,483 7.148,484 0.223,485 0.233,486 0.089,487 0.253,493 0.66,494 1.697,495 0.842,496 1.402,497 0.669,498 1.091,499 0.632,500 0.949,501 0.771,502 0.814,503 0.469,504 0.778,505 1.075,506 1.288,507 1.203,508 1.294,509 0.997,510 1.247,511 0.886,512 0.887,513 1.062,514 1.028,515 0.945,516 0.765,517 1.789,518 0.807,519 1.051,520 0.704,521 2.104,522 0.824,523 0.983,524 1.454,525 1.004,526 1.286,527 0.873,528 1.172,529 1.517,530 0.749,531 1.052,532 0.703,533 1.565,534 0.83,535 0.78,536 1.188,537 0.875,538 1.108,539 0.797,540 1.156,541 10.5,542 0.22,543 3.556,544 2.979,545 1.493,546 1.483,547 0.717,548 0.668,549 0.413,550 0.388,551 14053,552 40371,553 1.944,554 46.7,556 13,557 1,558 2,559 3,561 9,564 1.742,565 1.761,566 3.723,567 0.977,569 1,573 104.614,574 1.744,575 3.865,576 4.781,577 4.96,578 4.96,579 4.96,580 3.215,581 4.289,582 4.964,583 3.946,584 1957.14,585 8.67,586 29650.9,591 354.413,592 1.772,593 4.881,594 0.309,595 0.008,596 0.071,597 0.065,598 0.031,599 0.034,600 0.017,601 0.018,602 0.012,603 0.013,604 0.579,605 0.33,606 0.75,607 1.875,608 170.891,609 0.051,610 -0.332,611 0.194,612 -0.156,613 -0.139,614 -0.036,615 0.298,616 0.217,617 0.185,618 0.198,619 0.301,620 0.193,621 -0.164,622 -0.132,623 -0.169,624 -0.175,625 -0.126,626 -0.237,627 0.141,628 0.018,629 0.157,630 0.085,631 0.154,632 0.25,633 -0.29,634 0.165,635 -0.095,636 0.192,637 -0.327,638 0.083,639 -0.085,640 -0.338,641 -0.069,642 -0.249,644 -0.171,645 -0.212,646 0.235,647 -0.09,648 0.155,649 -0.218,650 0.061,651 0.08,652 -0.1,653 -0.028,654 -0.134,655 0.017,656 -0.158,657 4.635,658 5.635,659 0.469,660 41.094,661 1.012,662 1.145,663 1.359,664 1.846,665 0.645,666 3.555,667 3.932,668 4.06,669 4.344,670 4.5,671 4.625,672 4.804,673 4.934,674 5.024,675 5.147,676 8.125,677 0.613,678 460.63,679 3.555,680 5.13,681 5.948,682 6.851,683 7.693,684 8.599,685 9.455,686 10.362,687 11.227,688 12.134,689 13.3,691 1,692 1,696 2,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 60,733 19,735 34,737 62,738 20,739 11,746 3,747 4,751 1,752 3,761 12,762 8,763 1,766 3,769 1,771 3,775 1,778 1,781 28,782 10,783 3,784 12,785 1,790 8,794 0.667,795 3,805 2,811 1,812 2,815 1,836 1,840 2,842 1,844 5,848 32,852 1,854 2,855 3,859 1,860 1,867 1,870 5,873 3,877 18.167,878 12.167,879 6.722,880 3.253,881 3.363,882 1.434,883 0.947,884 7.154,885 11.115,886 3.829,887 4.474,888 4.953,889 5.58,890 6.101,891 6.512,892 7.037,893 7.469,894 7.813,895 8.253,896 1,897 46,898 12.075,900 5.316,901 7.958,902 22.175,904 17.793,905 2.458,906 78.667,910 294.278,911 124.67,912 106.949,914 69.458,916 5.807,917 118.863,918 363.735,919 106.949,920 43.268,921 40.233,922 59.689,923 144.949,924 30.305,925 17.946,926 258.964,928 294.278,929 225.812,930 69.458,931 5.807,933 188.338,934 175.398,937 109.111,938 66.467,939 56.042,941 294.278,942 176.407,943 124.67,945 5.807,946 294.278,947 20.024,948 103.128,949 52.426,950 119.692,951 294.278,952 176.407,953 124.67,955 0.598,956 0.3,957 0.158,958 0.081,959 23,960 12,961 0.129,962 8,963 1,964 1.133,965 4.209,966 279.564,967 0.133,968 15,969 151.245,973 1,974 24.079,975 9.508,976 6.712,977 0.531,978 175.243,979 9.647,980 12.639,984 1.536,986 52.426,987 595.355,988 45,991 -3.718,993 37.258,997 -0.392,999 60.709,1000 68.687,1001 0.295,1002 0.654,1003 0.809,1004 0.84,1005 0.84,1006 0.84,1007 5.1,1008 1.744,1009 6.019,1010 5.221,1011 4.615,1012 5.162,1013 1.911,1014 6.88,1015 4.506,1016 6.368,1017 1.518,1018 7.62,1019 4.961,1020 4.575,1021 5.345,1022 1.305,1023 8.159,1024 4.41,1025 7.733,1026 1.24,1027 9.334,1028 4.343,1029 6.344,1030 7.494,1031 2.455,1032 11.123,1033 6.118,1034 9.134,1035 1.086,1036 11.114,1037 3.546,1038 7.022,1039 8.438,1040 2.354,1041 13.166,1042 6.732,1043 10.567,1044 1,1045 12.937,1046 2.499,1047 8.394,1048 10.187,1049 3.254,1050 15.786,1051 8.044,1052 12.024,1053 0.411,1054 14.792,1055 2.104,1056 9.369,1057 11.461,1058 3.414,1059 18.119,1060 8.949,1061 13.5,1062 -0.114,1063 16.67,1064 1.081,1065 10.613,1066 13.068,1067 4.158,1068 20.655,1069 10.13,1070 3.464,1071 -0.324,1072 18.567,1073 -0.291,1074 11.716,1075 14.487,1076 4.466,1077 23.104,1078 11.159,1079 3.062,1080 12.767,1081 20.478,1082 -0.957,1083 12.922,1084 16.043,1085 5.112,1086 25.627,1087 12.298,1088 2.955,1089 9.835,1090 22.401,1091 4.714,1092 14.083,1093 17.524,1094 5.504,1095 28.125,1096 13.382,1097 2.71,1098 9.671,1099 24.335,1100 4.449,1101 15.284,1102 19.062,1103 6.091,1104 30.653,1105 14.512,1106 2.417,1107 8.782,1108 26.277,1109 3.695,1110 16.473,1111 20.571,1112 6.531,1113 33.174,1114 15.624,1115 2.203,1116 6.887,1117 28.226,1118 3.072,1119 17.679,1120 22.104,1121 7.083,1122 35.708,1123 16.755,1124 1.925,1125 5.444,1126 30.182,1127 2.988,1128 18.883,1129 23.626,1130 7.551,1131 38.241,1132 17.881,1133 14093,1134 24139,1135 21.266,1136 38.671,1137 52.292,1138 53.175,1139 52.655,1140 51.481,1141 51.474,1142 67.276,1143 5.406,1144 154.281,1145 48.793,1146 5.793,1147 6.691,1148 6.912,1149 5.466,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.173,1155 21.96,1156 1.538,1157 1.564,1158 1.549,1159 1.514,1160 1.514,1161 1.979,1162 0.159,1163 4.538,1164 1.435,1165 4.141,1166 4.179,1167 4.736,1168 4.071,1169 7.717,1170 4.021,1171 4.019,1172 4.02,1173 4.079,1174 3.886,1175 7.431,1176 3.864,1177 3.742,1178 3.815,1179 3.694,1180 3.58,1181 6.999,1182 3.581,1183 3.701,1184 3.77,1185 3.595,1186 3.482,1187 5.154,1188 3.495,1189 3.539,1190 3.582,1191 3.496,1192 3.402,1193 4.845,1194 3.363,1195 3.457,1196 3.483,1197 3.389,1198 3.202,1199 4.378,1200 3.224,1201 3.241,1202 3.314,1203 3.155,1204 3.026,1205 4.354,1206 3.037,1207 3.03,1208 3.099,1209 2.858,1210 2.785,1211 4.316,1212 2.796,1213 0.143,1214 0.138,1215 0.216,1216 0.129,1217 0.102,1218 4.877,1219 0.139,1220 4.691,1221 0.049,1222 7.356,1223 0.376,1224 4.395,1225 0.095,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.22,1236 2.105,1237 1.826,1238 1.81,1239 1.963,1240 1.98,1241 1.137,1242 1.996,1243 1.677,1244 1.619,1245 1.903,1246 1.925,1247 1.125,1248 1.921,1249 1.657,1250 1.575,1251 1.785,1252 1.843,1253 0.943,1254 1.855,1255 1.427,1256 1.361,1257 1.64,1258 1.751,1259 0.73,1260 1.711,1261 1.312,1262 1.322,1263 1.431,1264 1.516,1265 0.482,1266 1.526,1267 1.224,1268 1.133,1269 1.417,1270 1.487,1271 0.469,1272 1.509,1273 0.934,1274 0.873,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.234,1281 5.595,1282 2.398,1283 7.112,1284 4.727,1285 8.707,1286 6.823,1287 10.348,1289 9.156,1295 1.205,1296 7.95,1300 1.958,1301 -0.614,1305 36.771,1306 104.614,1307 231.928,1308 286.865,1309 297.619,1310 297.619,1311 297.619,1312 83.173,1313 7.751,1314 133.62,1315 142,1316 17,1317 12.66,1318 4.322,1319 3.585,1320 61.505,1321 155,1322 172,1323 0.195,1324 234.492,1325 396.54,1326 563.92,1327 25460,1329 23.518,1330 0.735,1331 0.611,1332 23.768,1333 19.564,1334 14.926,1335 0.439,1336 0.337,1337 9.91,1338 13.396,1339 9.346,1340 7.924,1341 15.748,1342 11.466,1343 15.446,1344 0.309,1345 0.206,1346 16.733,1347 10.287,1348 10.139,1349 0.178,1350 0.104,1351 11.316,1352 5.923,1353 8.973,1354 0.118,1355 0.056,1356 10.21,1357 4.237,1358 6.394,1359 0.072,1360 0.028,1361 7.107,1362 2.492,1363 0.313,1364 103.236,1365 0.217,1366 30.357,1367 0.514,1368 168,1369 539.291,1370 226.944,1371 541.402,1372 726.11,1373 496,1374 191,1375 509.54,1376 260.049,1377 554.252,1378 797.5,1379 511,1380 5.3}
{0 CHEMBL2059913,1 1.756,2 15.486,3 0.874,4 0.763,5 131.965,6 7.733,7 0.421,8 4.285,9 4.41,10 3.995,11 3.745,12 5.339,13 3.728,14 4.86,15 5.047,16 4.312,17 4.135,18 6.094,19 4.105,20 5.094,21 5.301,22 4.327,23 4.311,24 6.163,25 4.222,26 5.222,27 5.481,28 4.284,29 4.289,30 6.341,31 4.176,32 5.087,33 5.319,34 4.166,35 4.135,36 6.268,37 4.078,38 4.91,39 5.123,40 4.141,41 4.086,42 6.057,43 4.026,44 4.959,45 5.198,46 4.095,47 4.008,48 6.129,49 3.962,50 4.751,51 4.947,52 4,53 3.937,54 5.976,55 3.878,56 0.177,57 1.047,58 16.532,59 5.508,60 20.716,61 7.393,62 0.77,63 1.596,64 29.762,65 9.132,66 79.111,67 12.598,68 0.751,69 1.886,70 40.376,71 11.971,72 70.743,73 16.425,74 0.975,75 1.856,76 54.498,77 14.812,78 120.034,79 20.39,80 1.098,81 1.611,82 41.137,83 10.532,84 129.085,85 14.843,86 0.554,87 1.547,88 32.694,89 9.193,90 57.074,91 13.505,92 0.936,93 1.472,94 36.093,95 8.339,96 94.46,97 12.55,98 0.722,99 1.309,100 26.378,101 7.789,102 75.933,103 11.225,104 40,105 55,106 0.279,107 0.614,108 0.765,109 0.811,110 0.811,111 0.811,112 3.588,113 1.009,114 -2.31,115 -2.35,116 -2.31,119 33.8,120 3,125 6,130 1,142 3,143 2,144 1,145 2,150 1,151 1,159 1,161 1,166 1,172 4,174 3,175 4,178 6,179 1,180 3,183 6,186 1,187 9,190 2,192 1,195 2,198 4,199 13,202 3,204 2,207 1,211 3,212 5,215 2,217 3,220 3,223 1,224 7,227 1,229 3,232 3,236 5,237 4,240 1,242 4,245 3,249 4,250 1,253 3,255 1,258 3,262 2,263 5,266 1,268 1,271 3,275 2412,276 22.797,277 22.797,278 22.797,279 22.797,280 22.797,281 20.61,282 24.59,283 13.38,284 23.576,285 18.842,286 18.842,287 18.842,288 18.842,289 18.842,290 15.325,291 31.488,292 6.455,293 20.073,294 4.266,295 2.154,296 1.201,297 0.912,298 0.912,299 0.912,300 4.277,306 1152,307 4.848,310 87.815,311 365.244,314 158.551,318 2.7,319 45.86,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.5,328 0.5,329 0.59,330 78,331 542,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,338 1.656,339 12.767,340 3.217,341 4.512,342 3.549,343 6.365,344 4.016,345 3.062,346 4.449,347 0.86,348 9.835,349 2.939,350 4.127,351 3.18,352 6.322,353 3.909,354 2.955,355 3.695,356 0.8,357 9.671,358 2.79,359 3.995,360 3.049,361 6.045,362 3.68,363 2.711,364 3.072,365 0.247,366 8.782,367 2.608,368 3.727,369 2.885,370 5.359,371 3.454,372 2.532,373 2.989,375 6.99,376 2.341,377 3.516,378 2.719,379 5.322,380 3.341,381 2.386,382 2.739,384 6.86,385 2.255,386 3.4,387 2.178,388 4.877,389 2.897,390 1.938,391 2.52,393 5.412,394 1.858,395 3.178,396 2.138,397 4.719,398 2.705,399 1.756,400 2.407,402 5.067,403 1.659,404 3.012,405 1.814,406 4.452,407 2.48,408 1.535,409 2.253,411 4.343,412 1.454,413 2.734,414 1.523,415 4.227,416 2.412,417 1.512,418 1.825,420 3.548,421 1.346,422 2.58,423 1.521,424 3.665,425 2.216,426 1.239,427 1.615,428 3.205,429 1.205,430 2.553,431 1.334,432 3.498,433 2.025,434 1.086,435 1.549,436 2.499,437 1.016,438 2.084,439 1.256,440 3.28,441 1.952,442 1,443 1.048,445 2.186,446 0.946,447 2,448 1.104,449 3.273,450 1.931,451 1,452 1,454 2.136,455 0.921,456 1.903,457 0.559,458 3.247,459 1.374,460 0.411,461 0.611,463 1.081,464 0.394,465 16.367,466 0.468,467 1.17,468 0.033,469 43,470 1.229,471 19,472 0.543,473 24,474 0.686,475 32.674,476 0.934,477 40.033,478 0.616,479 36.619,480 1.046,481 8.199,482 0.234,483 8.389,484 0.24,485 0.153,486 0.081,487 0.232,493 0.697,494 1.667,495 0.821,496 1.395,497 0.655,498 1.077,499 0.808,500 1.049,501 0.838,502 0.901,503 0.515,504 0.872,505 1.087,506 1.138,507 1.165,508 1.138,509 0.942,510 1.134,511 0.8,512 0.979,513 1.106,514 1.133,515 0.929,516 0.898,517 1.512,518 0.834,519 0.983,520 0.726,521 1.89,522 0.828,523 0.976,524 1.313,525 0.994,526 1.157,527 0.88,528 1.087,529 1.341,530 0.837,531 0.984,532 0.758,533 1.5,534 0.83,535 0.981,536 1.106,537 0.962,538 1.029,539 1.206,540 1.125,541 10,542 0.235,543 3.556,544 2.917,545 1.484,546 1.462,547 0.777,548 0.672,549 0.417,550 0.353,551 20171,552 56737,553 2.027,554 46.2,556 15,557 1,558 2,559 3,561 9,564 1.762,565 1.875,566 3.872,567 0.933,573 114.14,574 1.756,575 3.868,576 4.822,577 5.11,578 5.11,579 5.11,580 3.389,581 4.765,582 5.095,583 4.103,584 2441.1,585 8.921,586 40420.8,591 391.454,592 1.637,593 5.037,594 0.263,595 0.007,596 0.065,597 0.057,598 0.029,599 0.032,600 0.017,601 0.016,602 0.011,603 0.01,604 0.507,605 0.33,606 0.75,607 1.022,608 193.667,609 0.03,610 -0.312,611 0.188,612 -0.154,613 -0.116,614 -0.028,615 0.178,616 0.112,617 0.106,618 0.114,619 0.255,620 0.096,621 -0.158,622 -0.028,623 -0.137,624 -0.063,625 -0.099,626 -0.139,627 0.116,628 -0.032,629 0.082,630 -0.008,631 0.149,632 0.133,633 -0.212,634 0.099,635 -0.029,636 0.171,637 -0.256,638 0.103,639 -0.078,640 -0.231,641 -0.05,642 -0.156,643 -0.024,644 -0.103,645 -0.153,646 0.157,647 -0.024,648 0.115,649 -0.171,650 0.077,651 0.067,652 -0.021,653 -0.093,654 -0.085,655 -0.042,656 -0.168,657 4.643,658 5.682,659 0.6,660 48.473,661 1.014,662 1.143,663 1.084,664 1.174,665 0.644,666 3.664,667 4.025,668 4.19,669 4.466,670 4.625,671 4.7,672 4.883,673 5.004,674 5.1,675 5.226,676 9.013,677 0.616,678 502.67,679 3.664,680 5.231,681 6.057,682 6.952,683 7.795,684 8.693,685 9.547,686 10.446,687 11.308,688 12.208,689 12.3,691 1,692 1,696 2,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 65,733 19,735 38,737 68,738 22,739 11,746 4,747 5,751 1,752 3,761 12,762 10,763 1,766 3,769 1,771 3,775 1,781 30,782 11,783 3,784 13,785 1,790 8,794 0.75,795 4,805 2,811 1,812 3,815 1,836 1,839 1,840 3,842 1,844 3,848 35,852 1,854 6,855 3,856 1,859 1,860 1,867 1,870 6.2,873 3,874 1,877 18.667,878 12.333,879 7.389,880 3.719,881 3.333,882 1.408,883 0.962,884 7.69,885 11.493,886 3.912,887 4.53,888 5.008,889 5.617,890 6.128,891 6.523,892 7.047,893 7.476,894 7.82,895 8.259,896 1,897 51,898 13.227,900 5.888,901 7.905,902 24.561,904 20.154,905 2.405,906 84.167,910 317.82,911 121.274,912 106.949,914 80.458,916 5.807,917 115.466,918 398.278,919 106.949,920 26.476,921 53.629,922 59.689,923 155.949,924 30.305,925 17.946,926 282.506,928 317.82,929 222.415,930 80.458,931 5.807,933 211.88,934 175.398,935 11,937 122.507,938 49.674,939 56.042,941 317.82,942 187.407,943 121.274,945 5.807,946 317.82,947 33.42,948 86.335,949 52.426,950 130.692,951 317.82,952 187.407,953 121.274,955 0.593,956 0.311,957 0.168,958 0.086,959 26,960 12,961 0.118,962 8,963 1,964 1.095,965 4.611,966 318.392,967 0.095,968 21,969 168.77,973 1,974 25.482,975 10.562,976 6.965,977 0.531,978 186.243,979 9.675,980 12.73,984 1.536,986 52.426,987 626.5,988 49,991 -3.726,993 37.587,997 -0.386,999 65.92,1000 74.311,1001 0.292,1002 0.642,1003 0.801,1004 0.849,1005 0.849,1006 0.849,1007 5.182,1008 1.756,1009 6.103,1010 5.412,1011 4.71,1012 5.218,1013 2.109,1014 6.95,1015 4.592,1016 6.425,1017 1.535,1018 7.69,1019 5.067,1020 4.575,1021 5.345,1022 1.305,1023 8.184,1024 4.41,1025 7.778,1026 1.512,1027 9.391,1028 4.343,1029 6.415,1030 7.517,1031 2.545,1032 11.16,1033 6.178,1034 9.17,1035 1.239,1036 11.162,1037 3.548,1038 7.04,1039 8.442,1040 2.354,1041 13.184,1042 6.748,1043 10.596,1044 1.086,1045 12.977,1046 3.205,1047 8.444,1048 10.195,1049 3.285,1050 15.802,1051 8.084,1052 12.047,1053 1,1054 14.826,1055 2.499,1056 9.39,1057 11.463,1058 3.414,1059 18.127,1060 8.966,1061 13.52,1062 1,1063 16.698,1064 2.186,1065 10.646,1066 13.071,1067 4.168,1068 20.661,1069 10.155,1070 3.464,1071 0.411,1072 18.59,1073 2.136,1074 11.734,1075 14.488,1076 4.466,1077 23.107,1078 11.173,1079 3.062,1080 12.767,1081 20.497,1082 1.081,1083 12.943,1084 16.044,1085 5.115,1086 25.629,1087 12.313,1088 2.955,1089 9.835,1090 22.416,1091 4.714,1092 14.096,1093 17.524,1094 5.504,1095 28.127,1096 13.392,1097 2.711,1098 9.671,1099 24.347,1100 4.449,1101 15.297,1102 19.063,1103 6.092,1104 30.653,1105 14.521,1106 2.532,1107 8.782,1108 26.286,1109 3.695,1110 16.481,1111 20.571,1112 6.531,1113 33.175,1114 15.63,1115 2.386,1116 6.99,1117 28.234,1118 3.072,1119 17.687,1120 22.104,1121 7.084,1122 35.708,1123 16.76,1124 1.938,1125 6.86,1126 30.188,1127 2.989,1128 18.889,1129 23.626,1130 7.551,1131 38.241,1132 17.885,1133 19357,1134 32715,1135 24.731,1136 41.887,1137 57.709,1138 59.176,1139 57.705,1140 57.153,1141 57.171,1142 72.971,1143 7.126,1144 168.763,1145 53.899,1146 5.877,1147 6.691,1148 7.158,1149 5.498,1150 5.464,1151 7.714,1152 2.912,1153 20.458,1154 5.173,1155 19.944,1156 1.519,1157 1.557,1158 1.519,1159 1.504,1160 1.505,1161 1.92,1162 0.188,1163 4.441,1164 1.418,1165 4.142,1166 4.18,1167 4.736,1168 4.071,1169 7.717,1170 4.021,1171 4.019,1172 4.02,1173 4.08,1174 3.886,1175 7.431,1176 3.864,1177 3.824,1178 3.89,1179 3.71,1180 3.606,1181 6.999,1182 3.62,1183 3.721,1184 3.78,1185 3.684,1186 3.57,1187 5.154,1188 3.572,1189 3.59,1190 3.646,1191 3.505,1192 3.408,1193 4.845,1194 3.386,1195 3.498,1196 3.506,1197 3.48,1198 3.301,1199 4.628,1200 3.306,1201 3.311,1202 3.367,1203 3.214,1204 3.107,1205 4.369,1206 3.116,1207 3.113,1208 3.206,1209 3.025,1210 2.941,1211 4.329,1212 2.91,1213 0.128,1214 0.123,1215 0.194,1216 0.116,1217 0.091,1218 4.877,1219 0.124,1220 4.691,1221 0.044,1222 7.356,1223 0.336,1224 4.395,1225 0.085,1226 3.464,1227 4.714,1228 1.656,1229 12.767,1230 3.217,1231 1.991,1232 1.982,1233 2.032,1234 2.102,1235 1.261,1236 2.105,1237 1.826,1238 1.81,1239 1.964,1240 1.996,1241 1.22,1242 1.996,1243 1.746,1244 1.681,1245 1.963,1246 1.98,1247 1.137,1248 1.99,1249 1.677,1250 1.619,1251 1.785,1252 1.843,1253 0.968,1254 1.855,1255 1.503,1256 1.439,1257 1.725,1258 1.813,1259 0.943,1260 1.776,1261 1.327,1262 1.332,1263 1.513,1264 1.591,1265 0.825,1266 1.57,1267 1.292,1268 1.231,1269 1.448,1270 1.487,1271 0.483,1272 1.524,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.469,1278 1.429,1279 4.344,1281 5.694,1282 2.398,1283 7.212,1284 4.727,1285 8.806,1286 6.823,1287 10.443,1289 5.323,1295 4.382,1296 8.071,1297 5.316,1300 2.225,1301 -0.618,1305 40.012,1306 114.14,1307 251.441,1308 313.415,1309 332.17,1310 332.17,1311 332.17,1312 81.785,1313 8.16,1314 142.85,1315 151.23,1316 23,1317 12.738,1318 4.322,1319 3.585,1320 59.896,1321 190,1322 201,1323 0.152,1324 250.279,1325 427.57,1326 602.442,1327 46414,1329 25.054,1330 0.716,1331 0.594,1332 25.304,1333 20.801,1334 16.588,1335 0.437,1336 0.336,1337 11.195,1338 14.928,1339 10.739,1340 8.931,1341 17.409,1342 12.782,1343 16.556,1344 0.301,1345 0.199,1346 17.843,1347 10.938,1348 11.695,1349 0.18,1350 0.106,1351 12.872,1352 6.896,1353 10.33,1354 0.12,1355 0.058,1356 11.567,1357 4.996,1358 7.549,1359 0.075,1360 0.03,1361 8.262,1362 3.028,1363 0.248,1364 114.038,1365 0.201,1366 32.992,1367 0.394,1368 186,1369 601.027,1370 248.488,1371 591.252,1372 795.03,1373 546,1374 213,1375 555.88,1376 285.483,1377 594.805,1378 863.04,1379 553,1380 5.9}
{0 CHEMBL2062546,1 1.766,2 12.875,3 2.838,4 8.053,5 120.727,6 8.52,7 0.629,8 4.092,9 4.19,10 3.9,11 3.654,12 5.247,13 3.637,14 4.601,15 4.742,16 4.196,17 4.014,18 5.969,19 3.989,20 4.783,21 4.939,22 4.241,23 4.136,24 5.992,25 4.085,26 4.873,27 5.045,28 4.263,29 4.133,30 6.178,31 4.067,32 4.846,33 5.033,34 4.212,35 4.112,36 6.072,37 4.041,38 4.873,39 5.059,40 4.148,41 4.074,42 6.152,43 4.023,44 4.758,45 4.917,46 4.083,47 4.008,48 6.051,49 3.966,50 4.747,51 4.948,52 3.967,53 3.962,54 5.917,55 3.891,56 0.157,57 0.836,58 11.352,59 4.88,60 17.803,61 5.296,62 0.559,63 1.29,64 19.258,65 7.981,66 60.385,67 9.101,68 0.496,69 1.491,70 26.981,71 10.122,72 62.675,73 10.966,74 0.827,75 1.552,76 28.93,77 10.668,78 90.084,79 12.121,80 0.558,81 1.549,82 33.508,83 11.194,84 55.664,85 12.346,86 0.74,87 1.479,88 33.71,89 10.833,90 94.959,91 11.709,92 0.686,93 1.334,94 25.792,95 9.374,96 76.193,97 10.407,98 0.623,99 1.313,100 25.316,101 9.325,102 70.32,103 11.648,104 31,105 50,106 0.288,107 0.623,108 0.764,109 0.854,110 0.868,111 0.868,112 3.502,113 0.96,114 -4.13,115 -4.08,116 -3.86,119 41.5,120 1,124 1,125 1,142 10,143 3,144 2,150 1,151 1,158 1,161 1,166 1,172 12,174 3,175 5,178 5,180 2,183 12,187 9,190 1,192 3,195 8,198 4,199 14,202 1,204 5,207 3,211 1,212 14,217 5,220 2,224 12,229 2,232 5,236 3,237 10,240 1,242 3,245 10,249 3,250 3,253 1,255 1,258 11,262 3,263 4,266 1,271 11,275 1820,276 21.358,277 21.358,278 21.358,279 21.358,280 21.358,281 18.367,282 18.099,283 12.498,284 21.861,285 17.246,286 17.246,287 17.246,288 17.246,289 17.246,290 12.558,291 22.348,292 5.9,293 18.015,294 3.961,295 1.911,296 1.047,297 0.496,298 0.406,299 0.406,300 4.195,304 1,305 1,306 884,307 4.123,310 80.181,311 313.519,314 139.635,318 2,319 41.395,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 70.5,331 412,332 4.89,333 4.71,334 7.403,335 4.359,336 3.439,337 4.75,338 1.907,339 12.889,340 3.139,341 4.511,342 3.536,343 6.338,344 4.001,345 3.052,346 4.449,347 0.86,348 9.783,349 2.906,350 4.132,351 3.052,352 6.062,353 3.71,354 2.738,355 3.742,356 0.522,357 8.838,358 2.643,359 3.891,360 2.83,361 5.68,362 3.503,363 2.512,364 3.441,365 0.149,366 7.489,367 2.489,368 3.766,369 2.722,370 5.328,371 3.336,372 2.374,373 3.205,375 6.911,376 2.283,377 3.613,378 2.615,379 5.255,380 3.235,381 2.264,382 2.876,384 6.595,385 2.186,386 3.203,387 2.114,388 4.508,389 2.731,390 1.754,391 2.416,393 4.533,394 1.695,395 3.025,396 1.71,397 4.393,398 2.502,399 1.53,400 2.283,402 4.384,403 1.496,404 2.924,405 1.565,406 4.341,407 2.487,408 1.512,409 2.093,411 3.941,412 1.461,413 2.86,414 1.513,415 4.228,416 2.379,417 1.408,418 2.009,420 3.37,421 1.36,422 2.672,423 1.364,424 3.64,425 2.176,426 1.192,427 1.732,428 3.083,429 1.168,430 2.5,431 1.012,432 3.301,433 2,434 1,435 1.5,436 2.136,437 1,438 1.934,439 1,440 3.247,441 1.565,442 0.638,443 0.752,445 1.418,446 0.585,447 1.829,448 0.804,449 3.172,450 1.467,451 0.544,452 0.674,454 1.184,455 0.498,456 1.704,457 0.59,458 2.966,459 1.321,460 0.385,461 0.524,463 0.806,464 0.36,465 15.167,466 0.474,467 0.905,468 0.028,469 46.25,470 1.445,471 25.5,472 0.797,473 20.75,474 0.648,475 23.541,476 0.736,477 34.033,478 0.642,479 38.543,480 1.204,481 9.266,482 0.29,483 6.087,484 0.19,485 0.132,486 0.055,487 0.29,493 0.621,494 1.304,495 0.772,496 1.207,497 0.649,498 0.915,499 0.714,500 0.955,501 0.821,502 0.901,503 0.554,504 0.858,505 1.113,506 1.157,507 1.155,508 1.163,509 1.108,510 1.036,511 1.016,512 1.101,513 1.043,514 1.025,515 1.08,516 1.04,517 1.076,518 1.123,519 1.325,520 1.237,521 1.003,522 1.007,523 1.523,524 0.931,525 1.235,526 1.009,527 1.561,528 0.914,529 1.317,530 0.997,531 1.099,532 1.048,533 1.489,534 1.054,535 0.936,536 0.937,537 0.844,538 0.915,539 0.868,540 1.012,541 8,542 0.164,543 3.778,544 2.479,545 1.876,546 1.636,547 0.802,548 0.529,549 0.446,550 0.313,551 14208,552 44401,553 2.056,554 39.6,556 15,557 1,559 2,560 3,564 1.746,565 1.91,566 3.629,567 0.27,569 1,573 93.624,574 1.766,575 3.817,576 4.681,577 5.232,578 5.322,579 5.322,580 3.108,581 4.218,582 4.966,583 3.8,584 1884.72,585 8.697,586 27536.3,588 1,591 303.58,592 1.574,593 4.918,594 0.229,595 0.006,596 0.076,597 0.05,598 0.039,599 0.035,600 0.018,601 0.012,602 0.012,603 0.009,604 0.484,605 0.33,606 1,607 0.981,608 168.456,609 0.057,610 -0.123,611 0.189,612 -0.099,613 -0.137,614 0.007,615 0.217,616 0.145,617 0.076,618 0.079,619 0.22,620 0.051,621 -0.159,622 -0.096,623 -0.109,624 -0.093,625 -0.139,626 -0.083,627 0.074,628 -0.088,629 -0.018,630 -0.012,631 0.011,632 -0.09,633 -0.112,634 -0.07,635 -0.094,636 -0.089,637 -0.006,638 -0.013,639 -0.285,640 0.042,641 -0.115,642 0.045,643 -0.15,644 0.057,645 -0.111,646 -0.02,647 -0.151,648 -0.072,649 -0.182,650 -0.116,651 0.028,652 -0.001,653 0.028,654 0.002,655 -0.028,656 -0.024,657 4.758,658 6.028,659 0.656,660 36.914,661 1.018,662 1.124,663 2.903,664 8.429,665 0.69,666 3.584,667 3.932,668 4.174,669 4.443,670 4.673,671 4.762,672 4.927,673 5.043,674 5.165,675 5.283,676 7.406,677 0.667,678 451.55,679 3.584,680 5.142,681 5.989,682 6.88,683 7.75,684 8.646,685 9.526,686 10.424,687 11.31,688 12.211,689 9.4,691 1,696 1,697 1,699 2,703 1,704 11,705 2,709 6,711 22,729 1,731 53,733 25,734 2,735 35,737 56,738 22,739 18,740 4,741 8,746 4,747 5,752 1,761 19,762 3,766 3,769 1,771 3,775 1,778 1,781 21,782 8,783 2,784 10,785 1,790 5,794 0.75,795 4,805 1,811 1,812 3,815 1,826 1,840 3,842 1,844 2,848 32,852 1,854 1,855 2,856 1,867 1,870 7.5,873 3,875 1,877 16.75,878 10.1,879 6.958,880 2.862,881 4.1,882 1.518,883 1.004,884 6.238,885 12.012,886 3.912,887 4.577,888 5.132,889 5.746,890 6.303,891 6.644,892 7.141,893 7.577,894 7.957,895 8.405,896 0.889,897 50,898 12.081,900 5.429,901 7.977,902 22.045,904 17.947,905 2.477,906 79.25,909 1,910 223.651,911 156.101,912 69.028,914 80.458,916 5.807,917 150.294,918 304.109,919 69.028,920 19.708,921 20.116,922 126.022,923 109.326,924 28.515,925 13.67,926 211.88,928 223.651,929 219.322,930 80.458,931 5.807,933 223.651,934 80.458,937 50.125,938 135.748,939 39.256,941 223.651,942 149.486,943 156.101,945 5.807,946 223.651,947 26.776,948 124.682,949 34.416,950 113.906,951 223.651,952 149.486,953 156.101,955 0.585,956 0.33,957 0.178,958 0.1,959 24,960 11,961 0.125,962 7,963 1,964 1.095,965 4.262,966 293.179,967 0.095,968 21,969 154,973 1,974 21.965,975 9.087,976 4.994,977 0.545,978 148.322,979 19.444,980 8.444,984 2.689,986 34.416,987 529.238,988 49,991 -3.841,993 37.296,997 -0.269,999 53.963,1000 59.571,1001 0.308,1002 0.666,1003 0.817,1004 0.913,1005 0.929,1006 0.929,1007 5.15,1008 1.53,1009 6.009,1010 4.533,1011 4.615,1012 5.265,1013 2.205,1014 6.858,1015 4.528,1016 6.404,1017 1.512,1018 7.596,1019 4.384,1020 4.369,1021 5.33,1022 1.593,1023 8.021,1024 4.207,1025 7.757,1026 1.408,1027 9.295,1028 3.941,1029 6.286,1030 7.609,1031 2.97,1032 11.064,1033 6.084,1034 9.152,1035 1.192,1036 11.064,1037 3.37,1038 6.847,1039 8.484,1040 3.032,1041 13.08,1042 6.539,1043 10.581,1044 1,1045 12.88,1046 3.083,1047 8.285,1048 10.29,1049 4.052,1050 15.736,1051 7.937,1052 12.036,1053 0.638,1054 14.732,1055 2.136,1056 9.203,1057 11.525,1058 4.409,1059 18.082,1060 8.737,1061 13.512,1062 0.544,1063 16.612,1064 1.418,1065 10.474,1066 13.157,1067 5.254,1068 20.645,1069 9.953,1070 3.439,1071 0.385,1072 18.513,1073 1.184,1074 11.552,1075 14.556,1076 5.75,1077 23.116,1078 10.915,1079 3.052,1080 12.889,1081 20.431,1082 0.806,1083 12.77,1084 16.124,1085 6.502,1086 25.662,1087 12.06,1088 2.738,1089 9.783,1090 22.364,1091 4.75,1092 13.921,1093 17.597,1094 7.068,1095 28.182,1096 13.101,1097 2.512,1098 8.838,1099 24.308,1100 4.449,1101 15.127,1102 19.143,1103 7.771,1104 30.728,1105 14.222,1106 2.374,1107 7.489,1108 26.262,1109 3.742,1110 16.312,1111 20.651,1112 8.374,1113 33.267,1114 15.301,1115 2.264,1116 6.911,1117 28.225,1118 3.441,1119 17.519,1120 22.19,1121 9.051,1122 35.817,1123 16.417,1124 1.754,1125 6.595,1126 30.194,1127 3.205,1128 18.722,1129 23.715,1130 9.674,1131 38.365,1132 17.517,1133 13630,1134 24297,1135 23.057,1136 36.585,1137 52.911,1138 54.313,1139 54.01,1140 52.659,1141 52.687,1142 72.89,1143 6.875,1144 154.719,1145 50.538,1146 5.765,1147 6.71,1148 7.204,1149 5.428,1150 5.439,1151 7.75,1152 3.306,1153 20.596,1154 5.139,1155 16.852,1156 1.512,1157 1.552,1158 1.543,1159 1.505,1160 1.505,1161 2.083,1162 0.196,1163 4.421,1164 1.444,1165 4.149,1166 4.181,1167 4.737,1168 4.093,1169 7.717,1170 4.044,1171 4.026,1172 4.031,1173 4.08,1174 3.889,1175 7.43,1176 3.88,1177 3.888,1178 3.914,1179 3.822,1180 3.83,1181 6.999,1182 3.818,1183 3.657,1184 3.666,1185 3.726,1186 3.545,1187 5.152,1188 3.499,1189 3.557,1190 3.591,1191 3.486,1192 3.338,1193 4.822,1194 3.358,1195 3.307,1196 3.358,1197 3.214,1198 3.091,1199 4.751,1200 3.112,1201 3.166,1202 3.241,1203 3.014,1204 2.99,1205 4.445,1206 2.969,1207 3.122,1208 3.169,1209 2.989,1210 2.917,1211 4.192,1212 2.923,1213 0.14,1214 0.135,1215 0.212,1216 0.125,1217 0.098,1218 4.89,1219 0.136,1220 4.71,1221 0.054,1222 7.403,1223 0.368,1224 4.359,1225 0.09,1226 3.439,1227 4.75,1228 1.907,1229 12.889,1230 3.139,1231 2.015,1232 2.013,1233 2.055,1234 2.107,1235 1.245,1236 2.113,1237 1.911,1238 1.882,1239 2.035,1240 2.011,1241 1.148,1242 2.023,1243 1.8,1244 1.787,1245 1.836,1246 1.927,1247 0.992,1248 1.935,1249 1.521,1250 1.48,1251 1.734,1252 1.805,1253 0.732,1254 1.775,1255 1.468,1256 1.46,1257 1.565,1258 1.653,1259 0.723,1260 1.678,1261 1.206,1262 1.142,1263 1.526,1264 1.501,1265 0.573,1266 1.52,1267 1.167,1268 1.087,1269 1.337,1270 1.457,1271 0.451,1272 1.436,1273 1.101,1274 1.059,1275 1.181,1276 1.274,1277 0.295,1278 1.314,1279 4.263,1281 5.602,1282 2.398,1283 7.128,1284 4.727,1285 8.74,1286 6.823,1287 10.399,1289 2.804,1295 0.16,1296 5.16,1297 5.298,1305 35.368,1306 93.624,1307 202.307,1308 248.096,1309 277.315,1310 282.07,1311 282.07,1312 66.616,1313 7.912,1314 114.69,1315 123.07,1316 23,1317 12.736,1318 4.7,1319 3.907,1320 51.845,1321 141,1322 146,1323 0.179,1324 221.114,1325 375.75,1326 531.279,1327 31124,1329 22.717,1330 0.71,1331 0.571,1332 22.967,1333 18.257,1334 15.353,1335 0.439,1336 0.32,1337 9.675,1338 13.899,1339 9.289,1340 7.746,1341 16.174,1342 11.199,1343 14.44,1344 0.289,1345 0.175,1346 15.744,1347 8.748,1348 11.408,1349 0.178,1350 0.096,1351 12.481,1352 6.137,1353 9.579,1354 0.114,1355 0.052,1356 10.614,1357 4.393,1358 7.787,1359 0.073,1360 0.03,1361 8.842,1362 3.128,1363 0.282,1364 105.245,1365 0.208,1366 29.999,1367 0.486,1368 170,1369 565.404,1370 226.466,1371 562.761,1372 762.81,1373 520,1374 199,1375 537.311,1376 264.123,1377 578.16,1378 839.26,1379 540,1380 4}
{0 CHEMBL2063751,1 1.77,2 11.724,3 1.24,4 1.538,5 107.011,6 8.03,7 0.375,8 4.073,9 4.18,10 3.834,11 3.597,12 5.115,13 3.569,14 4.659,15 4.821,16 4.12,17 3.988,18 5.887,19 3.948,20 4.898,21 5.103,22 4.115,23 4.069,24 6.02,25 4.026,26 4.82,27 5.04,28 4.121,29 4.032,30 5.952,31 3.977,32 4.813,33 5.01,34 4.132,35 4.076,36 6.001,37 4.016,38 4.834,39 5.021,40 4.112,41 4.163,42 5.834,43 4.046,44 4.963,45 5.177,46 4.025,47 4.101,48 6.045,49 3.976,50 4.837,51 5.078,52 3.732,53 3.818,54 6.068,55 3.696,56 0.131,57 0.833,58 12.646,59 5.048,60 18.854,61 5.927,62 0.577,63 1.323,64 25.625,65 8.637,66 67.797,67 10.52,68 0.738,69 1.521,70 30.732,71 9.052,72 81.582,73 12.312,74 0.587,75 1.489,76 28.744,77 8.372,78 62.619,79 12.092,80 0.698,81 1.451,82 27.397,83 9.124,84 71.044,85 12.064,86 0.401,87 1.516,88 31.166,89 11.97,90 47.456,91 14.56,92 0.692,93 1.495,94 40.418,95 12.835,96 89.602,97 15.732,98 0.96,99 1.172,100 33.909,101 10.446,102 121.124,103 13.616,104 21,105 46,106 0.295,107 0.629,108 0.776,109 0.819,110 0.819,111 0.819,112 3.408,113 1.064,114 -2.94,115 -2.94,116 -2.84,119 36.5,120 1,125 7,142 4,143 2,144 1,146 1,147 1,149 1,159 1,172 4,174 3,175 5,178 2,179 1,180 3,183 4,186 1,187 6,192 2,195 2,198 3,199 8,204 4,207 1,211 5,212 5,217 2,220 2,224 5,227 2,229 1,232 4,236 1,237 5,245 2,249 4,250 6,253 3,255 1,258 1,263 2,275 1404,276 19.472,277 19.472,278 19.472,279 19.472,280 19.472,281 17.618,282 25.085,283 11.54,284 20.222,285 15.827,286 15.827,287 15.827,288 15.827,289 15.827,290 12.788,291 32.572,292 5.489,293 17.004,294 3.93,295 1.928,296 1.044,297 0.784,298 0.784,299 0.784,300 4.103,304 1,305 1,306 735,307 3.536,310 68.431,311 250.431,314 121.37,318 1.841,319 41.503,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 340,332 4.796,333 5.179,334 6.963,335 4.295,336 3.39,337 4.574,338 3.52,339 11.868,340 3.092,341 4.391,342 3.545,343 6.507,344 3.9,345 2.984,346 4.094,347 1.656,348 10.238,349 2.753,350 4.101,351 3.295,352 6.104,353 3.723,354 2.765,355 3.67,356 0.86,357 8.916,358 2.573,359 3.811,360 2.858,361 5.65,362 3.494,363 2.538,364 3.132,365 0.8,366 7.45,367 2.421,368 3.57,369 2.648,370 5.469,371 3.252,372 2.304,373 2.781,374 0.57,375 7.292,376 2.163,377 3.442,378 2.598,379 4.822,380 3.043,381 2.063,382 2.672,383 0.247,384 5.489,385 2.011,386 2.947,387 2.383,388 4.732,389 2.673,390 1.761,391 2.024,393 4.862,394 1.601,395 2.871,396 2.186,397 4.408,398 2.389,399 1.437,400 2.004,402 4.194,403 1.364,404 2.5,405 1.512,406 3.919,407 2.116,408 1.237,409 1.5,411 2.969,412 1.078,413 2.307,414 1.497,415 3.482,416 2,417 1.014,418 1.3,420 2.275,421 1,422 2.122,423 1.38,424 3.414,425 1.982,426 1,427 1.076,428 2.136,429 0.975,430 2,431 1.256,432 3.247,433 1.952,434 1,435 1,436 1.759,437 0.946,438 1.724,439 1,440 3.127,441 1.474,442 0.559,443 0.625,445 1.609,446 0.504,447 1.297,448 0.589,449 2.889,450 0.953,451 -0.01,452 -0.012,454 -0.024,455 -0.01,456 1.06,457 0.357,458 2.766,459 0.628,460 -0.295,461 -0.368,463 -0.819,464 -0.27,465 13.667,466 0.471,467 0.809,468 0.028,469 37.5,470 1.293,471 17.5,472 0.603,473 20,474 0.69,475 24.343,476 0.839,477 32.533,478 0.626,479 29.247,480 1.009,481 7.117,482 0.245,483 6.831,484 0.236,485 0.11,486 0.061,487 0.285,493 0.671,494 1.524,495 0.814,496 1.29,497 0.612,498 1.008,499 0.84,500 1.114,501 1.078,502 1.11,503 0.569,504 0.954,505 1.264,506 1.08,507 0.88,508 0.809,509 1.213,510 0.914,511 0.795,512 1.073,513 0.783,514 0.862,515 0.69,516 0.892,517 0.904,518 0.896,519 0.864,520 0.806,521 0.949,522 0.918,523 0.714,524 1.136,525 1.186,526 1.33,527 0.693,528 1.232,529 1.051,530 1.097,531 1.28,532 1.317,533 1.119,534 1.183,535 1.009,536 0.813,537 0.943,538 0.939,539 1.288,540 1.013,541 7,542 0.157,543 3.111,544 2.229,545 1.573,546 1.41,547 0.788,548 0.45,549 0.274,550 0.214,551 10523,552 31768,553 2.082,554 44.2,556 18,559 2,561 3,564 1.721,565 1.944,566 3.444,567 0.33,568 1,569 1,573 92.061,574 1.77,575 3.773,576 4.657,577 4.917,578 4.917,579 4.917,580 2.922,581 4.513,582 4.821,583 3.639,584 1477.55,585 8.412,586 19811.1,588 1,591 296.423,592 1.548,593 4.781,594 0.219,595 0.008,596 0.068,597 0.05,598 0.036,599 0.031,600 0.019,601 0.012,602 0.01,603 0.011,604 0.463,605 0.33,606 0.88,607 1.232,608 146.898,609 0.003,610 -0.24,611 0.187,612 -0.081,613 -0.093,614 0.007,615 0.093,616 0.035,617 -0.049,618 -0.019,619 0.173,620 0.019,621 -0.217,622 -0.068,623 -0.049,624 0.056,625 -0.174,626 0.015,627 -0.01,628 -0.001,629 0.081,630 0.037,631 0.031,632 0.058,633 0.003,634 0.178,635 -0.008,636 0.118,637 -0.014,638 0.03,639 -0.021,640 -0.054,641 -0.133,642 -0.166,643 -0.021,644 -0.179,645 -0.084,646 -0.138,647 -0.145,648 -0.192,649 -0.09,650 -0.15,651 0.151,652 0.012,653 0.023,654 -0.008,655 0.024,656 -0.018,657 4.123,658 5.214,659 0.724,660 30.652,661 1.016,662 1.134,663 1.71,664 2.923,665 0.661,666 3.497,667 3.85,668 4.094,669 4.419,670 4.691,671 4.82,672 5.043,673 5.204,674 5.263,675 5.352,676 6.723,677 0.633,678 417.54,679 3.497,680 5.056,681 5.905,682 6.808,683 7.683,684 8.594,685 9.484,686 10.4,687 11.3,688 12.218,689 9.6,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 52,733 15,734 1,735 32,737 55,738 19,739 10,740 2,741 4,746 4,747 5,751 1,752 1,761 11,762 8,766 3,769 1,771 3,775 1,778 1,781 23,782 9,783 2,784 10,785 1,790 5,794 0.75,795 4,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 29,851 1,854 7,855 2,856 1,859 1,870 7.7,873 3,874 1,877 14.917,878 9.517,879 6.278,880 3.186,881 2.465,882 1.318,883 0.997,884 5.724,885 10.22,886 3.738,887 4.344,888 4.792,889 5.412,890 5.996,891 6.337,892 6.817,893 7.248,894 7.533,895 7.868,896 0.875,897 45,898 10.958,900 4.947,901 7.934,902 20.513,904 17.305,905 2.434,906 70.583,910 247.193,911 90.894,912 72.717,914 80.458,916 6.046,917 84.848,918 327.651,919 72.717,920 8.825,921 53.323,922 43.951,923 114.029,924 17.337,925 6.604,926 247.193,928 247.193,929 157.565,930 80.458,931 6.046,933 214.208,934 104.771,935 11,937 64.905,938 56.761,939 39.617,941 247.193,942 153.175,943 90.894,945 6.046,946 247.193,947 38.118,948 49.855,949 36.022,950 114.029,951 247.193,952 153.175,953 90.894,955 0.583,956 0.324,957 0.182,958 0.104,959 23,960 10,961 0.073,962 4,963 1,964 1.095,965 4.009,966 261.034,967 0.095,968 21,969 130.881,973 1,974 20.081,975 8.267,976 4.527,978 153.175,979 7.171,980 9.266,984 3.835,986 36.022,987 491.262,988 41,991 -3.206,993 36.084,997 -0.27,999 52.847,1000 58.986,1001 0.311,1002 0.662,1003 0.817,1004 0.863,1005 0.863,1006 0.863,1007 5.004,1008 1.437,1009 5.927,1010 4.862,1011 4.533,1012 5.03,1013 3.517,1014 6.781,1015 4.397,1016 6.231,1017 1.237,1018 7.51,1019 4.194,1020 4.29,1021 5.147,1022 1.305,1023 7.908,1024 4.061,1025 7.582,1026 1.014,1027 9.2,1028 2.969,1029 6.209,1030 7.304,1031 5.768,1032 10.943,1033 5.919,1034 8.971,1035 1,1036 10.953,1037 2.275,1038 6.758,1039 8.204,1040 2.354,1041 12.862,1042 6.356,1043 10.395,1044 1,1045 12.746,1046 2.136,1047 8.198,1048 9.927,1049 8.251,1050 15.478,1051 7.734,1052 11.842,1053 0.559,1054 14.566,1055 1.759,1056 9.098,1057 11.15,1058 3.414,1059 17.709,1060 8.518,1061 13.308,1062 -0.01,1063 16.405,1064 1.609,1065 10.363,1066 12.726,1067 10.762,1068 20.2,1069 9.712,1070 3.39,1071 -0.295,1072 18.259,1073 -0.024,1074 11.423,1075 14.092,1076 4.466,1077 22.559,1078 10.66,1079 2.984,1080 11.868,1081 20.125,1082 -0.819,1083 12.63,1084 15.616,1085 13.278,1086 25.015,1087 11.784,1088 2.765,1089 10.238,1090 22,1091 4.574,1092 13.763,1093 17.05,1094 5.504,1095 27.429,1096 12.811,1097 2.538,1098 8.916,1099 23.883,1100 4.094,1101 14.955,1102 18.555,1103 15.794,1104 29.88,1105 13.914,1106 2.304,1107 7.45,1108 25.773,1109 3.67,1110 16.124,1111 20.023,1112 6.531,1113 32.318,1114 14.981,1115 2.063,1116 7.292,1117 27.667,1118 3.132,1119 17.316,1120 21.524,1121 18.311,1122 34.773,1123 16.081,1124 1.761,1125 5.489,1126 29.567,1127 2.781,1128 18.503,1129 23.01,1130 7.551,1131 37.224,1132 17.168,1133 10165,1134 17810,1135 21.266,1136 34.347,1137 47.883,1138 51.444,1139 48.97,1140 48.156,1141 48.101,1142 60.906,1143 15.306,1144 142.112,1145 44.96,1146 5.796,1147 7.179,1148 6.765,1149 5.398,1150 5.39,1151 7.574,1152 7.04,1153 19.217,1154 5.092,1155 14.396,1156 1.496,1157 1.608,1158 1.53,1159 1.505,1160 1.503,1161 1.903,1162 0.478,1163 4.441,1164 1.405,1165 4.148,1166 4.144,1167 4.752,1168 4.131,1169 7.714,1170 4.042,1171 3.922,1172 3.938,1173 3.937,1174 3.858,1175 7.431,1176 3.84,1177 3.772,1178 3.814,1179 3.739,1180 3.577,1181 6.999,1182 3.575,1183 3.631,1184 3.698,1185 3.551,1186 3.393,1187 4.976,1188 3.409,1189 3.487,1190 3.512,1191 3.454,1192 3.318,1193 4.671,1194 3.309,1195 3.237,1196 3.291,1197 3.098,1198 2.997,1199 4.596,1200 3.015,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.224,1206 2.91,1207 2.949,1208 3.015,1209 2.856,1210 2.746,1211 3.995,1212 2.762,1213 0.15,1214 0.162,1215 0.218,1216 0.134,1217 0.106,1218 4.796,1219 0.143,1220 5.179,1221 0.11,1222 6.963,1223 0.371,1224 4.295,1225 0.097,1226 3.39,1227 4.574,1228 3.52,1229 11.868,1230 3.092,1231 1.941,1232 1.911,1233 2.026,1234 2.066,1235 1.232,1236 2.052,1237 1.783,1238 1.796,1239 1.932,1240 1.965,1241 1.176,1242 1.96,1243 1.724,1244 1.726,1245 1.844,1246 1.836,1247 1.109,1248 1.897,1249 1.587,1250 1.535,1251 1.733,1252 1.803,1253 0.99,1254 1.831,1255 1.548,1256 1.472,1257 1.556,1258 1.754,1259 0.959,1260 1.755,1261 1.176,1262 1.122,1263 1.513,1264 1.46,1265 0.825,1266 1.442,1267 1.153,1268 1.064,1269 1.357,1270 1.376,1271 0.374,1272 1.429,1273 0.922,1274 0.868,1275 1.181,1276 1.161,1277 0.274,1278 1.168,1279 4.174,1281 5.517,1282 2.398,1283 7.048,1284 4.844,1285 8.666,1286 7.034,1287 10.333,1289 1.847,1295 2.954,1296 5.417,1297 5.416,1300 2.069,1305 32.895,1306 92.061,1307 196.181,1308 242.158,1309 255.668,1310 255.668,1311 255.668,1312 59.654,1313 7.755,1314 113.52,1315 121.9,1316 23,1317 12.732,1318 4,1319 3.322,1320 44.688,1321 114,1322 149,1323 0.191,1324 204.047,1325 356.21,1326 489.635,1327 23563,1329 20.433,1330 0.705,1331 0.585,1332 20.683,1333 16.959,1334 13.949,1335 0.436,1336 0.355,1337 9.516,1338 12.507,1339 9.162,1340 7.516,1341 14.802,1342 11.353,1343 13.2,1344 0.287,1345 0.197,1346 14.486,1347 9.054,1348 10.27,1349 0.174,1350 0.106,1351 11.071,1352 6.282,1353 9.082,1354 0.111,1355 0.06,1356 10.074,1357 4.961,1358 7.478,1359 0.069,1360 0.031,1361 8.414,1362 3.385,1363 0.298,1364 97.058,1365 0.217,1366 27.442,1367 0.528,1368 156,1369 509.404,1370 208.626,1371 501.036,1372 671.12,1373 464,1374 183,1375 461.049,1376 243.87,1377 491.609,1378 718.06,1379 460,1380 6.289}
{0 CHEMBL2063752,1 1.742,2 11.8,3 1.618,4 2.617,5 111.429,6 7.847,7 0.364,8 4.121,9 4.231,10 3.859,11 3.644,12 5.153,13 3.611,14 4.711,15 4.878,16 4.157,17 4.039,18 5.915,19 3.995,20 4.964,21 5.171,22 4.175,23 4.14,24 6.069,25 4.095,26 4.934,27 5.157,28 4.183,29 4.129,30 6.035,31 4.066,32 4.925,33 5.133,34 4.19,35 4.176,36 6.072,37 4.105,38 4.941,39 5.135,40 4.211,41 4.272,42 5.908,43 4.147,44 5.079,45 5.297,46 4.126,47 4.226,48 6.149,49 4.09,50 4.975,51 5.216,52 3.806,53 3.94,54 6.209,55 3.813,56 0.121,57 0.872,58 13.725,59 5.375,60 18.391,61 6.478,62 0.561,63 1.391,64 27.338,65 9.184,66 69.168,67 11.475,68 0.717,69 1.63,70 33.025,71 9.624,72 79.285,73 13.415,74 0.641,75 1.631,76 32.921,77 9.599,78 68.237,79 13.919,80 0.729,81 1.61,82 31.439,83 10.271,84 76.141,85 13.984,86 0.383,87 1.684,88 34.41,89 13.431,90 48.814,91 16.721,92 0.681,93 1.7,94 47.287,95 14.734,96 89.436,97 18.149,98 1.087,99 1.319,100 38.84,101 11.793,102 147.439,103 15.38,104 30,105 48,106 0.287,107 0.621,108 0.793,109 0.859,110 0.859,111 0.859,112 3.441,113 1.071,114 -3.17,115 -3.16,116 -3.04,119 36.4,120 2,125 6,127 1,142 4,143 2,144 1,146 1,147 1,149 1,159 1,172 4,174 3,175 6,178 2,179 1,180 3,183 4,186 1,187 7,192 2,195 2,198 3,199 9,204 4,207 2,211 5,212 5,217 2,220 2,224 6,227 2,229 1,232 5,236 1,237 7,245 4,249 4,250 6,253 3,255 1,258 3,263 2,275 1520,276 19.972,277 19.972,278 19.972,279 19.972,280 19.972,281 18.118,282 26.667,283 11.7,284 20.704,285 16.295,286 16.295,287 16.295,288 16.295,289 16.295,290 13.259,291 35.748,292 5.537,293 17.459,294 4.039,295 2.013,296 0.973,297 0.573,298 0.573,299 0.573,300 4.133,304 1,305 1,306 762,307 3.606,310 70.3,311 258.937,314 124.753,318 1.84,319 42.45,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66.5,331 354,332 4.797,333 5.179,334 6.982,335 4.304,336 3.397,337 4.574,338 3.52,339 11.929,340 3.106,341 4.403,342 3.545,343 6.601,344 3.935,345 3.032,346 4.097,347 1.656,348 10.527,349 2.753,350 4.118,351 3.372,352 6.152,353 3.786,354 2.822,355 3.674,356 0.86,357 9.078,358 2.667,359 3.839,360 2.923,361 5.882,362 3.532,363 2.577,364 3.142,365 0.8,366 8.026,367 2.447,368 3.69,369 2.7,370 5.47,371 3.365,372 2.4,373 2.883,374 0.57,375 7.329,376 2.287,377 3.446,378 2.621,379 5.074,380 3.047,381 2.065,382 2.675,383 0.247,384 5.671,385 2.015,386 3.126,387 2.383,388 4.82,389 2.807,390 1.872,391 2.249,393 5.487,394 1.746,395 2.871,396 2.186,397 4.468,398 2.391,399 1.437,400 2.023,402 4.243,403 1.366,404 2.5,405 1.751,406 4.18,407 2.334,408 1.414,409 1.5,411 3.403,412 1.295,413 2.414,414 1.511,415 3.755,416 2.109,417 1.215,418 1.414,420 2.953,421 1.074,422 2.285,423 1.478,424 3.574,425 2,426 1.014,427 1.276,428 2.275,429 1,430 2.122,431 1.352,432 3.414,433 1.982,434 1,435 1.076,436 1.792,437 0.975,438 1.738,439 1,440 3.128,441 1.507,442 0.589,443 0.65,445 1.634,446 0.533,447 1.298,448 0.596,449 2.919,450 0.955,451 -0.009,452 -0.011,454 -0.022,455 -0.009,456 1.104,457 0.421,458 2.766,459 0.787,460 -0.135,461 -0.15,463 -0.331,464 -0.123,465 14.167,466 0.472,467 0.899,468 0.03,469 38,470 1.267,471 17.5,472 0.583,473 20.5,474 0.683,475 27.081,476 0.903,477 33.833,478 0.615,479 30.126,480 1.004,481 7.093,482 0.236,483 7.266,484 0.242,485 0.141,486 0.059,487 0.311,493 0.667,494 1.525,495 0.825,496 1.296,497 0.62,498 1.027,499 0.819,500 1.143,501 1.049,502 1.111,503 0.563,504 0.95,505 1.263,506 1.079,507 0.883,508 0.819,509 1.186,510 0.915,511 0.875,512 1.065,513 0.801,514 0.86,515 0.677,516 0.901,517 0.885,518 0.876,519 0.864,520 0.798,521 0.909,522 0.917,523 0.661,524 1.138,525 1.097,526 1.277,527 0.658,528 1.207,529 1.005,530 1.139,531 1.397,532 1.423,533 1.022,534 1.206,535 1.191,536 0.792,537 0.988,538 0.906,539 1.578,540 1.009,541 7.5,542 0.157,543 3.556,544 2.542,545 1.764,546 1.469,547 1.047,548 0.512,549 0.287,550 0.25,551 11254,552 33065,553 2.059,554 45.5,556 17,559 2,561 6,564 1.731,565 1.905,566 3.432,567 0.309,568 1,569 1,573 95.83,574 1.742,575 3.768,576 4.808,577 5.208,578 5.208,579 5.208,580 2.906,581 4.574,582 4.871,583 3.644,584 1585.1,585 8.515,586 21671.3,588 1,590 1,591 317.975,592 1.615,593 4.82,594 0.227,595 0.008,596 0.074,597 0.053,598 0.038,599 0.031,600 0.023,601 0.013,602 0.01,603 0.012,604 0.488,605 0.33,606 0.88,607 1.249,608 153.278,609 0.011,610 -0.231,611 0.186,612 -0.077,613 -0.099,614 0.007,615 0.116,616 0.009,617 -0.014,618 -0.015,619 0.181,620 0.035,621 -0.209,622 -0.046,623 -0.049,624 0.048,625 -0.16,626 0.012,627 -0.03,628 -0.011,629 0.068,630 0.043,631 0.029,632 0.053,633 0.002,634 0.197,635 -0.007,636 0.124,637 -0.012,638 0.04,639 0.003,640 -0.059,641 -0.067,642 -0.123,643 -0.016,644 -0.146,645 -0.069,646 -0.147,647 -0.183,648 -0.24,649 -0.039,650 -0.166,651 0.068,652 0.028,653 -0.03,654 0.012,655 -0.06,656 -0.033,657 4.14,658 5.295,659 0.7,660 32,661 1.013,662 1.135,663 1.937,664 3.752,665 0.657,666 3.526,667 3.892,668 4.143,669 4.466,670 4.736,671 4.875,672 5.1,673 5.268,674 5.313,675 5.425,676 6.769,677 0.626,678 431.57,679 3.526,680 5.094,681 5.948,682 6.855,683 7.735,684 8.65,685 9.544,686 10.463,687 11.367,688 12.288,689 9.1,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 55,733 15,734 1,735 33,737 58,738 20,739 10,740 2,741 4,746 4,747 5,751 1,752 2,755 1,758 1,761 11,762 9,766 3,769 1,771 3,775 1,778 1,781 25,782 9,783 2,784 10,785 1,790 5,794 0.75,795 4,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 30,851 1,854 6,855 2,856 1,858 1,859 1,870 7.3,873 3,874 1,877 15.75,878 10.35,879 6.472,880 3.403,881 2.452,882 1.313,883 0.984,884 5.961,885 10.298,886 3.761,887 4.369,888 4.816,889 5.434,890 6.016,891 6.362,892 6.847,893 7.284,894 7.56,895 7.909,896 0.875,897 48,898 11.341,900 5.117,901 7.914,902 21.269,904 17.992,905 2.414,906 72.417,910 270.735,911 97.613,912 72.717,914 80.458,916 6.046,917 91.567,918 351.193,919 72.717,920 17.65,921 51.217,922 43.951,923 114.029,924 17.337,925 6.604,926 270.735,928 270.735,929 164.284,930 80.458,931 6.046,933 202.437,934 140.084,935 11,937 71.624,938 56.761,939 39.617,941 270.735,942 153.175,943 97.613,945 6.046,946 270.735,947 36.012,948 58.68,949 36.022,950 114.029,951 270.735,952 153.175,953 97.613,955 0.587,956 0.33,957 0.183,958 0.104,959 24,960 11,961 0.069,962 4,963 1,964 1.095,965 4.034,966 275.841,967 0.095,968 21,969 141.207,973 1,974 21.041,975 8.5,976 4.613,978 153.175,979 7.183,980 9.341,984 3.821,986 36.022,987 521.523,988 42,991 -3.224,993 36.278,997 -0.271,999 55.731,1000 62.401,1001 0.301,1002 0.652,1003 0.832,1004 0.901,1005 0.901,1006 0.901,1007 5.037,1008 1.437,1009 5.979,1010 5.487,1011 4.575,1012 5.056,1013 3.517,1014 6.845,1015 4.442,1016 6.268,1017 1.414,1018 7.573,1019 4.243,1020 4.369,1021 5.182,1022 1.305,1023 7.984,1024 4.15,1025 7.621,1026 1.215,1027 9.272,1028 3.403,1029 6.263,1030 7.322,1031 5.768,1032 11.027,1033 5.979,1034 9.01,1035 1.014,1036 11.032,1037 2.953,1038 6.836,1039 8.223,1040 2.354,1041 12.95,1042 6.445,1043 10.433,1044 1,1045 12.83,1046 2.275,1047 8.263,1048 9.939,1049 8.251,1050 15.574,1051 7.806,1052 11.879,1053 0.589,1054 14.655,1055 1.792,1056 9.176,1057 11.161,1058 3.414,1059 17.806,1060 8.607,1061 13.343,1062 -0.009,1063 16.499,1064 1.634,1065 10.435,1066 12.734,1067 10.762,1068 20.303,1069 9.793,1070 3.397,1071 -0.135,1072 18.357,1073 -0.022,1074 11.501,1075 14.1,1076 4.466,1077 22.663,1078 10.75,1079 3.032,1080 11.929,1081 20.226,1082 -0.331,1083 12.705,1084 15.621,1085 13.278,1086 25.124,1087 11.871,1088 2.822,1089 10.527,1090 22.104,1091 4.574,1092 13.84,1093 17.055,1094 5.504,1095 27.539,1096 12.903,1097 2.577,1098 9.078,1099 23.989,1100 4.097,1101 15.031,1102 18.559,1103 15.794,1104 29.993,1105 14.005,1106 2.4,1107 8.026,1108 25.881,1109 3.674,1110 16.199,1111 20.027,1112 6.531,1113 32.433,1114 15.074,1115 2.065,1116 7.329,1117 27.778,1118 3.142,1119 17.391,1120 21.528,1121 18.311,1122 34.89,1123 16.174,1124 1.872,1125 5.671,1126 29.679,1127 2.883,1128 18.577,1129 23.014,1130 7.551,1131 37.343,1132 17.264,1133 10922,1134 18874,1135 21.671,1136 36.108,1137 49.655,1138 53.164,1139 51.386,1140 49.721,1141 49.67,1142 62.466,1143 15.306,1144 148.694,1145 46.529,1146 5.797,1147 7.179,1148 6.754,1149 5.407,1150 5.397,1151 7.574,1152 7.04,1153 19.414,1154 5.106,1155 16.313,1156 1.505,1157 1.611,1158 1.557,1159 1.507,1160 1.505,1161 1.893,1162 0.464,1163 4.506,1164 1.41,1165 4.15,1166 4.147,1167 4.752,1168 4.131,1169 7.714,1170 4.044,1171 3.922,1172 3.938,1173 3.94,1174 3.859,1175 7.431,1176 3.84,1177 3.804,1178 3.846,1179 3.756,1180 3.623,1181 6.999,1182 3.622,1183 3.632,1184 3.699,1185 3.571,1186 3.4,1187 4.977,1188 3.413,1189 3.494,1190 3.518,1191 3.462,1192 3.332,1193 4.673,1194 3.32,1195 3.264,1196 3.352,1197 3.098,1198 3.088,1199 4.602,1200 3.064,1201 3.236,1202 3.291,1203 3.037,1204 2.997,1205 4.224,1206 3.014,1207 2.959,1208 3.027,1209 2.856,1210 2.746,1211 4.027,1212 2.762,1213 0.145,1214 0.157,1215 0.212,1216 0.13,1217 0.103,1218 4.797,1219 0.139,1220 5.179,1221 0.107,1222 6.982,1223 0.361,1224 4.304,1225 0.094,1226 3.397,1227 4.574,1228 3.52,1229 11.929,1230 3.106,1231 1.942,1232 1.912,1233 2.029,1234 2.071,1235 1.266,1236 2.057,1237 1.801,1238 1.798,1239 1.962,1240 1.977,1241 1.18,1242 1.976,1243 1.726,1244 1.743,1245 1.844,1246 1.841,1247 1.113,1248 1.898,1249 1.617,1250 1.57,1251 1.747,1252 1.804,1253 0.991,1254 1.834,1255 1.551,1256 1.473,1257 1.633,1258 1.761,1259 0.966,1260 1.765,1261 1.292,1262 1.208,1263 1.556,1264 1.519,1265 0.891,1266 1.564,1267 1.176,1268 1.122,1269 1.357,1270 1.46,1271 0.456,1272 1.442,1273 0.923,1274 0.868,1275 1.295,1276 1.202,1277 0.372,1278 1.23,1279 4.205,1281 5.557,1282 2.398,1283 7.096,1284 4.844,1285 8.722,1286 7.034,1287 10.398,1289 3.888,1295 2.238,1296 5.427,1297 5.528,1299 0.095,1300 2.11,1305 34.421,1306 95.83,1307 207.264,1308 264.465,1309 286.465,1310 286.465,1311 286.465,1312 64.775,1313 7.846,1314 113.52,1315 121.9,1316 23,1317 12.8,1318 4,1319 3.322,1320 46.981,1321 119,1322 158,1323 0.193,1324 213.639,1325 373.51,1326 513.04,1327 26346,1329 21.303,1330 0.71,1331 0.594,1332 21.553,1333 17.829,1334 14.359,1335 0.435,1336 0.357,1337 9.946,1338 12.924,1339 9.529,1340 7.854,1341 15.213,1342 11.781,1343 13.728,1344 0.286,1345 0.199,1346 15.014,1347 9.572,1348 10.742,1349 0.173,1350 0.107,1351 11.543,1352 6.612,1353 9.451,1354 0.11,1355 0.061,1356 10.443,1357 5.204,1358 7.719,1359 0.068,1360 0.031,1361 8.651,1362 3.519,1363 0.301,1364 99.485,1365 0.215,1366 28.138,1367 0.537,1368 162,1369 515.404,1370 214.959,1371 507.714,1372 681.7,1373 470,1374 191,1375 471.401,1376 252.369,1377 502.633,1378 734.67,1379 470,1380 5.839}
{0 CHEMBL2063753,1 1.742,2 11.8,3 1.618,4 2.617,5 111.429,6 7.847,7 0.364,8 4.121,9 4.231,10 3.859,11 3.644,12 5.153,13 3.611,14 4.711,15 4.878,16 4.157,17 4.039,18 5.915,19 3.995,20 4.964,21 5.171,22 4.175,23 4.14,24 6.069,25 4.095,26 4.934,27 5.157,28 4.183,29 4.129,30 6.035,31 4.066,32 4.925,33 5.133,34 4.19,35 4.176,36 6.072,37 4.105,38 4.941,39 5.135,40 4.211,41 4.272,42 5.908,43 4.147,44 5.079,45 5.297,46 4.126,47 4.226,48 6.149,49 4.09,50 4.975,51 5.216,52 3.806,53 3.94,54 6.209,55 3.813,56 0.121,57 0.872,58 13.725,59 5.375,60 18.391,61 6.478,62 0.561,63 1.391,64 27.338,65 9.184,66 69.168,67 11.475,68 0.717,69 1.63,70 33.025,71 9.624,72 79.285,73 13.415,74 0.641,75 1.631,76 32.921,77 9.599,78 68.237,79 13.919,80 0.729,81 1.61,82 31.439,83 10.271,84 76.141,85 13.984,86 0.383,87 1.684,88 34.41,89 13.431,90 48.814,91 16.721,92 0.681,93 1.7,94 47.287,95 14.734,96 89.436,97 18.149,98 1.087,99 1.319,100 38.84,101 11.793,102 147.439,103 15.38,104 30,105 48,106 0.287,107 0.621,108 0.793,109 0.859,110 0.859,111 0.859,112 3.441,113 1.071,114 -3.17,115 -3.16,116 -3.04,119 36.4,120 2,125 6,127 1,142 4,143 2,144 1,146 1,147 1,149 1,159 1,172 4,174 3,175 6,178 2,179 1,180 3,183 4,186 1,187 7,192 2,195 2,198 3,199 9,204 4,207 2,211 5,212 5,217 2,220 2,224 6,227 2,229 1,232 5,236 1,237 7,245 4,249 4,250 6,253 3,255 1,258 3,263 2,275 1520,276 19.972,277 19.972,278 19.972,279 19.972,280 19.972,281 18.118,282 26.667,283 11.7,284 20.704,285 16.295,286 16.295,287 16.295,288 16.295,289 16.295,290 13.259,291 35.748,292 5.537,293 17.459,294 4.039,295 2.013,296 0.973,297 0.573,298 0.573,299 0.573,300 4.133,304 1,305 1,306 762,307 3.606,310 70.3,311 258.937,314 124.753,318 1.84,319 42.45,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66.5,331 354,332 4.797,333 5.179,334 6.982,335 4.304,336 3.397,337 4.574,338 3.52,339 11.929,340 3.106,341 4.403,342 3.545,343 6.601,344 3.935,345 3.032,346 4.097,347 1.656,348 10.527,349 2.753,350 4.118,351 3.372,352 6.152,353 3.786,354 2.822,355 3.674,356 0.86,357 9.078,358 2.667,359 3.839,360 2.923,361 5.882,362 3.532,363 2.577,364 3.142,365 0.8,366 8.026,367 2.447,368 3.69,369 2.7,370 5.47,371 3.365,372 2.4,373 2.883,374 0.57,375 7.329,376 2.287,377 3.446,378 2.621,379 5.074,380 3.047,381 2.065,382 2.675,383 0.247,384 5.671,385 2.015,386 3.126,387 2.383,388 4.82,389 2.807,390 1.872,391 2.249,393 5.487,394 1.746,395 2.871,396 2.186,397 4.468,398 2.391,399 1.437,400 2.023,402 4.243,403 1.366,404 2.5,405 1.751,406 4.18,407 2.334,408 1.414,409 1.5,411 3.403,412 1.295,413 2.414,414 1.511,415 3.755,416 2.109,417 1.215,418 1.414,420 2.953,421 1.074,422 2.285,423 1.478,424 3.574,425 2,426 1.014,427 1.276,428 2.275,429 1,430 2.122,431 1.352,432 3.414,433 1.982,434 1,435 1.076,436 1.792,437 0.975,438 1.738,439 1,440 3.128,441 1.507,442 0.589,443 0.65,445 1.634,446 0.533,447 1.298,448 0.596,449 2.919,450 0.955,451 -0.009,452 -0.011,454 -0.022,455 -0.009,456 1.104,457 0.421,458 2.766,459 0.787,460 -0.135,461 -0.15,463 -0.331,464 -0.123,465 14.167,466 0.472,467 0.899,468 0.03,469 38,470 1.267,471 17.5,472 0.583,473 20.5,474 0.683,475 27.081,476 0.903,477 33.833,478 0.615,479 30.126,480 1.004,481 7.093,482 0.236,483 7.266,484 0.242,485 0.141,486 0.059,487 0.311,493 0.667,494 1.525,495 0.825,496 1.296,497 0.62,498 1.027,499 0.819,500 1.143,501 1.049,502 1.111,503 0.563,504 0.95,505 1.263,506 1.079,507 0.883,508 0.819,509 1.186,510 0.915,511 0.875,512 1.065,513 0.801,514 0.86,515 0.677,516 0.901,517 0.885,518 0.876,519 0.864,520 0.798,521 0.909,522 0.917,523 0.661,524 1.138,525 1.097,526 1.277,527 0.658,528 1.207,529 1.005,530 1.139,531 1.397,532 1.423,533 1.022,534 1.206,535 1.191,536 0.792,537 0.988,538 0.906,539 1.578,540 1.009,541 7.5,542 0.157,543 3.556,544 2.542,545 1.764,546 1.469,547 1.047,548 0.512,549 0.287,550 0.25,551 11254,552 33065,553 2.059,554 45.5,556 17,559 2,561 6,564 1.731,565 1.905,566 3.432,567 0.309,568 1,569 1,573 95.83,574 1.742,575 3.768,576 4.808,577 5.208,578 5.208,579 5.208,580 2.906,581 4.574,582 4.871,583 3.644,584 1585.1,585 8.515,586 21671.3,588 1,590 1,591 317.975,592 1.615,593 4.82,594 0.227,595 0.008,596 0.074,597 0.053,598 0.038,599 0.031,600 0.023,601 0.013,602 0.01,603 0.012,604 0.488,605 0.33,606 0.88,607 1.249,608 153.278,609 0.011,610 -0.231,611 0.186,612 -0.077,613 -0.099,614 0.007,615 0.116,616 0.009,617 -0.014,618 -0.015,619 0.181,620 0.035,621 -0.209,622 -0.046,623 -0.049,624 0.048,625 -0.16,626 0.012,627 -0.03,628 -0.011,629 0.068,630 0.043,631 0.029,632 0.053,633 0.002,634 0.197,635 -0.007,636 0.124,637 -0.012,638 0.04,639 0.003,640 -0.059,641 -0.067,642 -0.123,643 -0.016,644 -0.146,645 -0.069,646 -0.147,647 -0.183,648 -0.24,649 -0.039,650 -0.166,651 0.068,652 0.028,653 -0.03,654 0.012,655 -0.06,656 -0.033,657 4.14,658 5.295,659 0.7,660 32,661 1.013,662 1.135,663 1.937,664 3.752,665 0.657,666 3.526,667 3.892,668 4.143,669 4.466,670 4.736,671 4.875,672 5.1,673 5.268,674 5.313,675 5.425,676 6.769,677 0.626,678 431.57,679 3.526,680 5.094,681 5.948,682 6.855,683 7.735,684 8.65,685 9.544,686 10.463,687 11.367,688 12.288,689 9.1,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 55,733 15,734 1,735 33,737 58,738 20,739 10,740 2,741 4,746 4,747 5,751 1,752 2,755 1,758 1,761 11,762 9,766 3,769 1,771 3,775 1,778 1,781 25,782 9,783 2,784 10,785 1,790 5,794 0.75,795 4,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 30,851 1,854 6,855 2,856 1,858 1,859 1,870 7.3,873 3,874 1,877 15.75,878 10.35,879 6.472,880 3.403,881 2.452,882 1.313,883 0.984,884 5.961,885 10.298,886 3.761,887 4.369,888 4.816,889 5.434,890 6.016,891 6.362,892 6.847,893 7.284,894 7.56,895 7.909,896 0.875,897 48,898 11.341,900 5.117,901 7.914,902 21.269,904 17.992,905 2.414,906 72.417,910 270.735,911 97.613,912 72.717,914 80.458,916 6.046,917 91.567,918 351.193,919 72.717,920 17.65,921 51.217,922 43.951,923 114.029,924 17.337,925 6.604,926 270.735,928 270.735,929 164.284,930 80.458,931 6.046,933 202.437,934 140.084,935 11,937 71.624,938 56.761,939 39.617,941 270.735,942 153.175,943 97.613,945 6.046,946 270.735,947 36.012,948 58.68,949 36.022,950 114.029,951 270.735,952 153.175,953 97.613,955 0.587,956 0.33,957 0.183,958 0.104,959 24,960 11,961 0.069,962 4,963 1,964 1.095,965 4.034,966 275.841,967 0.095,968 21,969 141.207,973 1,974 21.041,975 8.5,976 4.613,978 153.175,979 7.183,980 9.341,984 3.821,986 36.022,987 521.523,988 42,991 -3.224,993 36.278,997 -0.271,999 55.731,1000 62.401,1001 0.301,1002 0.652,1003 0.832,1004 0.901,1005 0.901,1006 0.901,1007 5.037,1008 1.437,1009 5.979,1010 5.487,1011 4.575,1012 5.056,1013 3.517,1014 6.845,1015 4.442,1016 6.268,1017 1.414,1018 7.573,1019 4.243,1020 4.369,1021 5.182,1022 1.305,1023 7.984,1024 4.15,1025 7.621,1026 1.215,1027 9.272,1028 3.403,1029 6.263,1030 7.322,1031 5.768,1032 11.027,1033 5.979,1034 9.01,1035 1.014,1036 11.032,1037 2.953,1038 6.836,1039 8.223,1040 2.354,1041 12.95,1042 6.445,1043 10.433,1044 1,1045 12.83,1046 2.275,1047 8.263,1048 9.939,1049 8.251,1050 15.574,1051 7.806,1052 11.879,1053 0.589,1054 14.655,1055 1.792,1056 9.176,1057 11.161,1058 3.414,1059 17.806,1060 8.607,1061 13.343,1062 -0.009,1063 16.499,1064 1.634,1065 10.435,1066 12.734,1067 10.762,1068 20.303,1069 9.793,1070 3.397,1071 -0.135,1072 18.357,1073 -0.022,1074 11.501,1075 14.1,1076 4.466,1077 22.663,1078 10.75,1079 3.032,1080 11.929,1081 20.226,1082 -0.331,1083 12.705,1084 15.621,1085 13.278,1086 25.124,1087 11.871,1088 2.822,1089 10.527,1090 22.104,1091 4.574,1092 13.84,1093 17.055,1094 5.504,1095 27.539,1096 12.903,1097 2.577,1098 9.078,1099 23.989,1100 4.097,1101 15.031,1102 18.559,1103 15.794,1104 29.993,1105 14.005,1106 2.4,1107 8.026,1108 25.881,1109 3.674,1110 16.199,1111 20.027,1112 6.531,1113 32.433,1114 15.074,1115 2.065,1116 7.329,1117 27.778,1118 3.142,1119 17.391,1120 21.528,1121 18.311,1122 34.89,1123 16.174,1124 1.872,1125 5.671,1126 29.679,1127 2.883,1128 18.577,1129 23.014,1130 7.551,1131 37.343,1132 17.264,1133 10922,1134 18874,1135 21.671,1136 36.108,1137 49.655,1138 53.164,1139 51.386,1140 49.721,1141 49.67,1142 62.466,1143 15.306,1144 148.694,1145 46.529,1146 5.797,1147 7.179,1148 6.754,1149 5.407,1150 5.397,1151 7.574,1152 7.04,1153 19.414,1154 5.106,1155 16.313,1156 1.505,1157 1.611,1158 1.557,1159 1.507,1160 1.505,1161 1.893,1162 0.464,1163 4.506,1164 1.41,1165 4.15,1166 4.147,1167 4.752,1168 4.131,1169 7.714,1170 4.044,1171 3.922,1172 3.938,1173 3.94,1174 3.859,1175 7.431,1176 3.84,1177 3.804,1178 3.846,1179 3.756,1180 3.623,1181 6.999,1182 3.622,1183 3.632,1184 3.699,1185 3.571,1186 3.4,1187 4.977,1188 3.413,1189 3.494,1190 3.518,1191 3.462,1192 3.332,1193 4.673,1194 3.32,1195 3.264,1196 3.352,1197 3.098,1198 3.088,1199 4.602,1200 3.064,1201 3.236,1202 3.291,1203 3.037,1204 2.997,1205 4.224,1206 3.014,1207 2.959,1208 3.027,1209 2.856,1210 2.746,1211 4.027,1212 2.762,1213 0.145,1214 0.157,1215 0.212,1216 0.13,1217 0.103,1218 4.797,1219 0.139,1220 5.179,1221 0.107,1222 6.982,1223 0.361,1224 4.304,1225 0.094,1226 3.397,1227 4.574,1228 3.52,1229 11.929,1230 3.106,1231 1.942,1232 1.912,1233 2.029,1234 2.071,1235 1.266,1236 2.057,1237 1.801,1238 1.798,1239 1.962,1240 1.977,1241 1.18,1242 1.976,1243 1.726,1244 1.743,1245 1.844,1246 1.841,1247 1.113,1248 1.898,1249 1.617,1250 1.57,1251 1.747,1252 1.804,1253 0.991,1254 1.834,1255 1.551,1256 1.473,1257 1.633,1258 1.761,1259 0.966,1260 1.765,1261 1.292,1262 1.208,1263 1.556,1264 1.519,1265 0.891,1266 1.564,1267 1.176,1268 1.122,1269 1.357,1270 1.46,1271 0.456,1272 1.442,1273 0.923,1274 0.868,1275 1.295,1276 1.202,1277 0.372,1278 1.23,1279 4.205,1281 5.557,1282 2.398,1283 7.096,1284 4.844,1285 8.722,1286 7.034,1287 10.398,1289 3.888,1295 2.238,1296 5.427,1297 5.528,1299 0.095,1300 2.11,1305 34.421,1306 95.83,1307 207.264,1308 264.465,1309 286.465,1310 286.465,1311 286.465,1312 64.775,1313 7.846,1314 113.52,1315 121.9,1316 23,1317 12.8,1318 4,1319 3.322,1320 46.981,1321 119,1322 158,1323 0.193,1324 213.639,1325 373.51,1326 513.04,1327 26346,1329 21.303,1330 0.71,1331 0.594,1332 21.553,1333 17.829,1334 14.359,1335 0.435,1336 0.357,1337 9.946,1338 12.924,1339 9.529,1340 7.854,1341 15.213,1342 11.781,1343 13.728,1344 0.286,1345 0.199,1346 15.014,1347 9.572,1348 10.742,1349 0.173,1350 0.107,1351 11.543,1352 6.612,1353 9.451,1354 0.11,1355 0.061,1356 10.443,1357 5.204,1358 7.719,1359 0.068,1360 0.031,1361 8.651,1362 3.519,1363 0.301,1364 99.485,1365 0.215,1366 28.138,1367 0.537,1368 162,1369 515.404,1370 214.959,1371 507.714,1372 681.7,1373 470,1374 191,1375 471.401,1376 252.369,1377 502.633,1378 734.67,1379 470,1380 5.896}
{0 CHEMBL2063754,1 1.742,2 11.867,3 1.275,4 1.626,5 111.56,6 7.847,7 0.364,8 4.121,9 4.231,10 3.859,11 3.644,12 5.146,13 3.611,14 4.711,15 4.878,16 4.142,17 4.037,18 5.913,19 3.989,20 4.973,21 5.182,22 4.168,23 4.165,24 6.055,25 4.103,26 4.931,27 5.149,28 4.171,29 4.12,30 6.03,31 4.063,32 4.899,33 5.105,34 4.196,35 4.142,36 6.094,37 4.077,38 4.905,39 5.096,40 4.143,41 4.224,42 5.895,43 4.116,44 5.047,45 5.265,46 4.062,47 4.213,48 6.042,49 4.076,50 4.999,51 5.258,52 3.863,53 4.007,54 6.106,55 3.849,56 0.121,57 0.872,58 13.725,59 5.375,60 18,61 6.478,62 0.566,63 1.386,64 27.326,65 9.2,66 67.736,67 11.478,68 0.721,69 1.645,70 35.213,71 10.584,72 81.991,73 14.121,74 0.597,75 1.629,76 32.819,77 9.182,78 68.86,79 13.428,80 0.784,81 1.575,82 30.707,83 9.81,84 83.879,85 13.48,86 0.41,87 1.624,88 33.005,89 12.325,90 45.897,91 15.5,92 0.643,93 1.652,94 41.024,95 13.864,96 83.79,97 17.759,98 0.915,99 1.406,100 39.961,101 12.894,102 113.623,103 17.297,104 21,105 47,106 0.287,107 0.625,108 0.796,109 0.825,110 0.825,111 0.825,112 3.441,113 1.078,114 -3.17,115 -3.16,116 -3.04,119 36.4,120 1,121 1,125 7,142 4,143 2,144 1,146 1,147 1,149 1,159 1,172 4,174 3,175 6,178 2,179 1,180 3,183 5,186 1,187 8,192 2,195 2,198 1,199 10,204 4,207 2,211 7,212 5,217 2,220 4,224 3,227 2,229 1,232 6,236 1,237 4,245 2,249 4,250 6,253 3,255 2,258 1,263 6,275 1524,276 20.179,277 20.179,278 20.179,279 20.179,280 20.179,281 18.326,282 25.085,283 11.961,284 20.956,285 16.301,286 16.301,287 16.301,288 16.301,289 16.301,290 13.226,291 31.444,292 5.67,293 17.495,294 4.039,295 1.99,296 0.95,297 0.777,298 0.777,299 0.777,300 4.137,304 1,305 1,306 767,307 3.536,311 333.526,315 135.568,318 1.893,319 42.173,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66.5,331 356,332 4.744,333 5.149,334 6.883,335 4.237,336 3.328,337 4.521,338 3.272,339 11.549,340 3.066,341 4.438,342 3.545,343 6.56,344 3.934,345 3.029,346 4.144,347 1.656,348 10.416,349 2.748,350 4.111,351 3.342,352 6.103,353 3.733,354 2.768,355 3.684,356 0.86,357 8.915,358 2.592,359 3.811,360 2.856,361 5.724,362 3.495,363 2.541,364 3.134,365 0.8,366 7.676,367 2.42,368 3.614,369 2.728,370 5.47,371 3.34,372 2.389,373 2.82,374 0.247,375 7.33,376 2.251,377 3.449,378 2.535,379 4.821,380 3.05,381 2.068,382 2.679,384 5.489,385 2.018,386 2.967,387 2.384,388 4.719,389 2.728,390 1.806,391 2.034,393 4.886,394 1.662,395 2.872,396 2.236,397 4.411,398 2.393,399 1.441,400 2.013,402 4.203,403 1.366,404 2.5,405 1.557,406 3.93,407 2.183,408 1.292,409 1.5,411 3.039,412 1.14,413 2.337,414 1.511,415 3.507,416 2,417 1.014,418 1.333,420 2.275,421 1,422 2.122,423 1.455,424 3.414,425 1.982,426 1,427 1.076,428 2.136,429 0.975,430 2,431 1.256,432 3.247,433 1.952,434 1,435 1,436 2.126,437 0.946,438 1.965,439 1,440 3.144,441 1.723,442 0.805,443 0.903,445 1.685,446 0.732,447 1.478,448 0.654,449 3.011,450 1.144,451 0.181,452 0.219,454 0.473,455 0.174,456 1.24,457 0.534,458 2.898,459 0.887,460 -0.075,461 -0.09,463 -0.182,464 -0.072,465 14.167,466 0.472,467 0.809,468 0.027,469 38,470 1.267,471 17.5,472 0.583,473 20.5,474 0.683,475 26.484,476 0.883,477 33.833,478 0.615,479 29.88,480 0.996,481 7.117,482 0.237,483 7.331,484 0.244,485 0.106,486 0.059,487 0.275,493 0.667,494 1.525,495 0.825,496 1.296,497 0.609,498 1.027,499 0.83,500 1.13,501 1.077,502 1.125,503 0.563,504 0.979,505 1.231,506 1.067,507 0.992,508 0.875,509 1.173,510 0.916,511 1.017,512 1.115,513 0.861,514 0.911,515 0.996,516 0.945,517 0.829,518 0.913,519 0.838,520 0.791,521 0.866,522 0.902,523 0.753,524 1.106,525 1.159,526 1.268,527 0.694,528 1.204,529 0.938,530 1.101,531 1.159,532 1.254,533 1.003,534 1.222,535 0.747,536 0.86,537 0.88,538 0.989,539 0.889,540 1.029,541 7,542 0.202,543 3.333,544 1.813,545 2.022,546 1.292,547 0.766,548 0.479,549 0.356,550 0.188,551 11459,552 33992,553 2.079,554 45.5,556 18,559 2,560 2,561 3,564 1.73,565 1.946,566 3.472,567 0.309,568 1,569 1,573 95.83,574 1.742,575 3.791,576 4.831,577 5.004,578 5.004,579 5.004,580 2.956,581 4.44,582 4.87,583 3.673,584 1597.62,585 8.512,586 21936.1,588 1,591 317.975,592 1.524,593 4.832,594 0.212,595 0.01,596 0.071,597 0.038,598 0.044,599 0.027,600 0.017,601 0.013,602 0.012,603 0.008,604 0.451,605 0.33,606 0.88,607 1.205,608 153.639,609 0.011,610 -0.231,611 0.186,612 -0.077,613 -0.088,614 0.007,615 0.105,616 0.022,617 -0.044,618 -0.03,619 0.179,620 0.005,621 -0.201,622 -0.036,623 -0.072,624 0.065,625 -0.153,626 0.036,627 -0.136,628 -0.051,629 0.007,630 -0.013,631 -0.096,633 0.087,634 0.166,635 0.027,636 0.125,637 0.055,638 0.045,639 -0.049,640 -0.008,641 -0.161,642 -0.152,643 -0.03,644 -0.166,645 -0.063,646 -0.134,647 -0.142,648 -0.186,649 -0.105,650 -0.19,651 0.222,652 -0.022,653 0.092,654 -0.027,655 0.106,656 -0.009,657 4.058,658 5.237,659 0.733,660 32.64,661 1.013,662 1.135,663 1.937,664 3.752,665 0.657,666 3.526,667 3.871,668 4.111,669 4.407,670 4.727,671 4.844,672 5.043,673 5.215,674 5.333,675 5.389,676 6.866,677 0.626,678 431.57,679 3.526,680 5.081,681 5.927,682 6.821,683 7.692,684 8.594,685 9.479,686 10.385,687 11.278,688 12.187,689 9.1,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 55,733 15,734 1,735 33,737 58,738 20,739 10,740 2,741 4,746 4,747 5,751 1,752 1,755 1,758 1,761 11,762 9,766 3,769 1,771 3,775 1,778 1,781 25,782 9,783 2,784 10,785 1,790 5,794 0.75,795 4,806 1,812 4,816 1,839 1,840 3,842 1,844 1,848 30,851 1,854 8,855 2,856 1,859 1,870 7.3,873 3,874 1,877 15.417,878 10.017,879 6.528,880 3.436,881 2.449,882 1.313,883 0.992,884 6.23,885 10.276,886 3.761,887 4.357,888 4.8,889 5.38,890 5.987,891 6.319,892 6.781,893 7.203,894 7.55,895 7.855,896 0.875,897 48,898 11.333,900 5.077,901 7.903,902 21.329,904 17.971,905 2.403,906 72.083,910 270.735,911 93.428,912 72.717,914 80.458,916 6.046,917 87.382,918 351.193,919 72.717,920 8.825,921 55.857,922 43.951,923 114.029,924 17.337,925 6.604,926 270.735,928 270.735,929 160.099,930 80.458,931 6.046,933 237.75,934 104.771,935 11,937 67.439,938 56.761,939 39.617,941 270.735,942 153.175,943 93.428,945 6.046,946 270.735,947 40.652,948 49.855,949 36.022,950 114.029,951 270.735,952 153.175,953 93.428,955 0.582,956 0.324,957 0.177,958 0.105,959 23,960 10,961 0.069,962 4,963 1,964 1.091,965 4.076,966 273.068,967 0.091,968 22,969 137.207,973 1,974 21.041,975 8.883,976 4.938,978 153.175,979 7.302,980 9.452,984 4.219,986 36.022,987 517.338,988 42,991 -3.141,993 36.162,997 -0.258,999 55.731,1000 62.401,1001 0.301,1002 0.656,1003 0.836,1004 0.866,1005 0.866,1006 0.866,1007 5.024,1008 1.441,1009 5.943,1010 4.886,1011 4.554,1012 5.043,1013 3.39,1014 6.786,1015 4.421,1016 6.245,1017 1.292,1018 7.521,1019 4.203,1020 4.29,1021 5.147,1022 1.305,1023 7.908,1024 4.061,1025 7.592,1026 1.014,1027 9.206,1028 3.039,1029 6.221,1030 7.308,1031 5.489,1032 10.924,1033 5.938,1034 8.976,1035 1,1036 10.955,1037 2.275,1038 6.746,1039 8.2,1040 2.354,1041 12.828,1042 6.353,1043 10.396,1044 1,1045 12.743,1046 2.136,1047 8.19,1048 9.92,1049 7.817,1050 15.424,1051 7.74,1052 11.838,1053 0.805,1054 14.559,1055 2.126,1056 9.064,1057 11.134,1058 3.414,1059 17.629,1060 8.503,1061 13.298,1062 0.181,1063 16.393,1064 1.685,1065 10.325,1066 12.704,1067 10.18,1068 20.098,1069 9.699,1070 3.328,1071 -0.075,1072 18.241,1073 0.473,1074 11.36,1075 14.059,1076 4.466,1077 22.426,1078 10.628,1079 3.029,1080 11.549,1081 20.101,1082 -0.182,1083 12.555,1084 15.575,1085 12.549,1086 24.857,1087 11.75,1088 2.768,1089 10.416,1090 21.968,1091 4.521,1092 13.664,1093 16.996,1094 5.504,1095 27.239,1096 12.761,1097 2.541,1098 8.915,1099 23.843,1100 4.144,1101 14.839,1102 18.492,1103 14.92,1104 29.662,1105 13.857,1106 2.389,1107 7.676,1108 25.724,1109 3.684,1110 15.984,1111 19.946,1112 6.531,1113 32.068,1114 14.91,1115 2.068,1116 7.33,1117 27.609,1118 3.134,1119 17.157,1120 21.436,1121 17.29,1122 34.491,1123 16.001,1124 1.806,1125 5.489,1126 29.499,1127 2.82,1128 18.32,1129 22.908,1130 7.551,1131 36.91,1132 17.076,1133 11081,1134 19226,1135 21.959,1136 36.108,1137 49.178,1138 52.592,1139 50.229,1140 49.402,1141 49.325,1142 62.12,1143 13.671,1144 144.395,1145 46.176,1146 5.744,1147 7.149,1148 6.685,1149 5.362,1150 5.328,1151 7.521,1152 6.545,1153 18.761,1154 5.066,1155 14.79,1156 1.49,1157 1.594,1158 1.522,1159 1.497,1160 1.495,1161 1.882,1162 0.414,1163 4.376,1164 1.399,1165 4.126,1166 4.128,1167 4.738,1168 4.103,1169 7.713,1170 4.018,1171 3.928,1172 3.94,1173 3.952,1174 3.865,1175 7.431,1176 3.842,1177 3.783,1178 3.822,1179 3.754,1180 3.604,1181 6.999,1182 3.597,1183 3.639,1184 3.703,1185 3.561,1186 3.418,1187 4.978,1188 3.428,1189 3.54,1190 3.569,1191 3.473,1192 3.358,1193 4.671,1194 3.356,1195 3.246,1196 3.303,1197 3.108,1198 3.022,1199 4.596,1200 3.031,1201 3.158,1202 3.225,1203 3.019,1204 2.983,1205 4.224,1206 2.969,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.032,1212 2.91,1213 0.144,1214 0.156,1215 0.209,1216 0.128,1217 0.101,1218 4.744,1219 0.137,1220 5.149,1221 0.099,1222 6.883,1223 0.35,1224 4.237,1225 0.093,1226 3.328,1227 4.521,1228 3.272,1229 11.549,1230 3.066,1231 2.01,1232 2.008,1233 2.046,1234 2.119,1235 1.429,1236 2.137,1237 1.884,1238 1.869,1239 1.957,1240 1.982,1241 1.194,1242 1.995,1243 1.694,1244 1.65,1245 1.873,1246 1.918,1247 1.1,1248 1.929,1249 1.56,1250 1.486,1251 1.842,1252 1.818,1253 0.988,1254 1.826,1255 1.432,1256 1.415,1257 1.513,1258 1.617,1259 0.825,1260 1.618,1261 1.153,1262 1.103,1263 1.492,1264 1.44,1265 0.752,1266 1.429,1267 1.149,1268 1.08,1269 1.374,1270 1.376,1271 0.631,1272 1.423,1273 1.147,1274 1.064,1275 1.276,1276 1.358,1277 0.331,1278 1.401,1279 4.205,1281 5.541,1283 7.076,1285 8.702,1287 10.38,1289 1.855,1295 3.52,1296 5.449,1297 5.44,1300 2.083,1305 34.421,1306 95.83,1307 208.509,1308 265.71,1309 275.22,1310 275.22,1311 275.22,1312 63.614,1313 7.827,1314 113.52,1315 121.9,1316 24,1317 12.706,1318 4,1319 3.322,1320 46.99,1321 121,1322 158,1323 0.19,1324 213.639,1325 373.51,1326 513.04,1327 26013,1329 21.14,1330 0.705,1331 0.589,1332 21.39,1333 17.666,1334 14.449,1335 0.438,1336 0.359,1337 10.016,1338 12.98,1339 9.658,1340 7.913,1341 15.302,1342 11.853,1343 13.535,1344 0.288,1345 0.202,1346 14.844,1347 9.483,1348 10.647,1349 0.177,1350 0.111,1351 11.451,1352 6.689,1353 9.064,1354 0.112,1355 0.062,1356 9.882,1357 5.005,1358 7.838,1359 0.07,1360 0.035,1361 8.816,1362 3.959,1363 0.297,1364 100.058,1365 0.213,1366 28.225,1367 0.526,1368 160,1369 513.404,1370 212.626,1371 504.839,1372 676.72,1373 468,1374 187,1375 465.049,1376 245.922,1377 494.651,1378 721.78,1379 464,1380 5.342}
{0 CHEMBL2063755,1 1.716,2 11.935,3 1.653,4 2.731,5 115.978,6 7.683,7 0.353,8 4.166,9 4.279,10 3.883,11 3.69,12 5.183,13 3.652,14 4.761,15 4.932,16 4.178,17 4.085,18 5.94,19 4.034,20 5.034,21 5.244,22 4.225,23 4.229,24 6.103,25 4.167,26 5.034,27 5.255,28 4.23,29 4.209,30 6.106,31 4.145,32 5.002,33 5.217,34 4.251,35 4.236,36 6.159,37 4.161,38 5.005,39 5.201,40 4.238,41 4.327,42 5.965,43 4.211,44 5.155,45 5.375,46 4.173,47 4.334,48 6.149,49 4.191,50 5.135,51 5.389,52 3.936,53 4.135,54 6.255,55 3.973,56 0.111,57 0.91,58 14.779,59 5.703,60 17.671,61 7.025,62 0.549,63 1.453,64 29,65 9.745,66 68.98,67 12.416,68 0.699,69 1.754,70 37.426,71 11.161,72 79.893,73 15.213,74 0.643,75 1.771,76 36.967,77 10.391,78 73.151,79 15.261,80 0.815,81 1.733,82 34.667,83 10.944,84 89.219,85 15.375,86 0.391,87 1.792,88 36.254,89 13.787,90 47.376,91 17.664,92 0.632,93 1.866,94 47.843,95 15.797,96 83.224,97 20.186,98 1.028,99 1.592,100 45.17,101 14.547,102 138.876,103 19.443,104 30,105 49,106 0.28,107 0.618,108 0.811,109 0.861,110 0.861,111 0.861,112 3.472,113 1.084,114 -3.39,115 -3.37,116 -3.23,119 36.2,120 2,121 1,125 6,127 1,142 4,143 2,144 1,146 1,147 1,149 1,159 1,172 4,174 3,175 7,178 2,179 1,180 3,183 5,186 1,187 9,192 2,195 2,198 1,199 11,204 4,207 3,211 7,212 5,217 2,220 4,224 4,227 2,229 1,232 8,236 1,237 6,245 4,249 4,250 6,253 3,255 2,258 3,263 6,275 1642,276 20.679,277 20.679,278 20.679,279 20.679,280 20.679,281 18.826,282 26.667,283 12.121,284 21.438,285 16.768,286 16.768,287 16.768,288 16.768,289 16.768,290 13.698,291 34.62,292 5.717,293 17.949,294 4.142,295 2.073,296 0.888,297 0.578,298 0.578,299 0.578,300 4.166,304 1,305 1,306 794,307 3.606,311 344.022,315 139.247,318 1.886,319 43.136,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 68.5,331 370,332 4.745,333 5.149,334 6.912,335 4.251,336 3.338,337 4.522,338 3.272,339 11.644,340 3.083,341 4.449,342 3.545,343 6.625,344 3.958,345 3.063,346 4.147,347 1.656,348 10.613,349 2.75,350 4.124,351 3.403,352 6.16,353 3.785,354 2.822,355 3.687,356 0.86,357 9.091,358 2.659,359 3.842,360 2.959,361 5.951,362 3.559,363 2.605,364 3.142,365 0.8,366 8.283,367 2.466,368 3.727,369 2.764,370 5.47,371 3.425,372 2.456,373 2.918,374 0.247,375 7.334,376 2.358,377 3.45,378 2.537,379 5.09,380 3.05,381 2.069,382 2.679,384 5.738,385 2.018,386 3.155,387 2.385,388 4.82,389 2.877,390 1.935,391 2.272,393 5.489,394 1.821,395 2.872,396 2.244,397 4.458,398 2.395,399 1.441,400 2.025,402 4.242,403 1.369,404 2.5,405 1.799,406 4.173,407 2.337,408 1.414,409 1.5,411 3.461,412 1.302,413 2.414,414 1.511,415 3.782,416 2.18,417 1.274,418 1.414,420 2.972,421 1.139,422 2.32,423 1.485,424 3.581,425 2,426 1.014,427 1.315,428 2.275,429 1,430 2.122,431 1.431,432 3.414,433 1.982,434 1,435 1.076,436 2.161,437 0.975,438 1.967,439 1,440 3.151,441 1.739,442 0.819,443 0.909,445 1.686,446 0.746,447 1.49,448 0.688,449 3.034,450 1.167,451 0.206,452 0.245,454 0.532,455 0.197,456 1.251,457 0.544,458 2.899,459 0.915,460 -0.045,461 -0.052,463 -0.105,464 -0.043,465 14.667,466 0.473,467 0.899,468 0.029,469 38.5,470 1.242,471 17.5,472 0.565,473 21,474 0.677,475 29.312,476 0.946,477 35.133,478 0.606,479 30.756,480 0.992,481 7.093,482 0.229,483 7.766,484 0.251,485 0.136,486 0.057,487 0.3,493 0.664,494 1.525,495 0.837,496 1.302,497 0.618,498 1.044,499 0.811,500 1.157,501 1.051,502 1.126,503 0.557,504 0.974,505 1.235,506 1.067,507 0.991,508 0.881,509 1.151,510 0.918,511 1.082,512 1.106,513 0.872,514 0.905,515 0.968,516 0.947,517 0.82,518 0.894,519 0.843,520 0.785,521 0.837,522 0.903,523 0.702,524 1.111,525 1.08,526 1.225,527 0.662,528 1.183,529 0.906,530 1.131,531 1.274,532 1.348,533 0.923,534 1.226,535 0.922,536 0.875,537 0.949,538 0.997,539 1.168,540 1.072,541 7.5,542 0.202,543 3.778,544 2.125,545 2.213,546 1.375,547 0.991,548 0.569,549 0.368,550 0.224,551 12216,552 35315,553 2.057,554 46.6,556 17,559 2,560 2,561 6,564 1.74,565 1.908,566 3.466,567 0.289,569 1,573 99.533,574 1.716,575 3.785,576 4.97,577 5.28,578 5.28,579 5.28,580 2.95,581 4.583,582 4.917,583 3.675,584 1708.67,585 8.612,586 23890.6,588 1,590 1,591 339.763,592 1.595,593 4.87,594 0.221,595 0.01,596 0.077,597 0.042,598 0.045,599 0.027,600 0.02,601 0.013,602 0.012,603 0.009,604 0.475,605 0.33,606 0.88,607 1.224,608 160.031,609 0.018,610 -0.223,611 0.185,612 -0.073,613 -0.093,614 0.007,615 0.125,616 -0.003,617 -0.013,618 -0.026,619 0.186,620 0.021,621 -0.196,622 -0.017,623 -0.07,624 0.058,625 -0.141,626 0.032,627 -0.144,628 -0.056,629 0.002,630 -0.002,631 -0.089,632 0.002,633 0.08,634 0.185,635 0.024,636 0.13,637 0.052,638 0.051,639 -0.025,640 -0.017,641 -0.096,642 -0.112,643 -0.025,644 -0.136,645 -0.053,646 -0.129,647 -0.172,648 -0.216,649 -0.058,650 -0.185,651 0.137,652 -0.034,653 0.006,654 -0.047,655 0.021,656 -0.071,657 4.075,658 5.318,659 0.71,660 33.707,661 1.011,662 1.135,663 2.16,664 4.666,665 0.653,666 3.555,667 3.912,668 4.159,669 4.454,670 4.771,671 4.898,672 5.1,673 5.268,674 5.394,675 5.451,676 6.9,677 0.62,678 445.6,679 3.555,680 5.118,681 5.969,682 6.868,683 7.744,684 8.65,685 9.539,686 10.449,687 11.346,688 12.259,689 8.6,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 58,733 15,734 1,735 34,737 61,738 21,739 10,740 2,741 4,746 4,747 5,751 1,752 2,755 2,758 2,761 11,762 10,766 3,769 1,771 3,775 1,778 1,781 27,782 9,783 2,784 10,785 1,790 5,794 0.75,795 4,806 1,812 4,816 1,839 1,840 3,842 1,844 2,848 31,851 1,854 7,855 2,856 1,858 1,859 1,870 6.9,873 3,874 1,877 16.25,878 10.85,879 6.722,880 3.653,881 2.436,882 1.308,883 0.98,884 6.467,885 10.351,886 3.784,887 4.382,888 4.824,889 5.403,890 6.007,891 6.346,892 6.812,893 7.234,894 7.582,895 7.888,896 0.875,897 51,898 11.716,900 5.247,901 7.884,902 22.086,904 18.659,905 2.384,906 73.917,910 294.278,911 100.148,912 72.717,914 80.458,916 6.046,917 94.102,918 374.735,919 72.717,920 17.65,921 53.752,922 43.951,923 114.029,924 17.337,925 6.604,926 294.278,928 294.278,929 166.819,930 80.458,931 6.046,933 225.979,934 140.084,935 11,937 74.159,938 56.761,939 39.617,941 294.278,942 153.175,943 100.148,945 6.046,946 294.278,947 38.546,948 58.68,949 36.022,950 114.029,951 294.278,952 153.175,953 100.148,955 0.586,956 0.33,957 0.178,958 0.105,959 24,960 11,961 0.066,962 4,963 1,964 1.091,965 4.099,966 288.171,967 0.091,968 22,969 147.58,973 1,974 22.003,975 9.112,976 5.003,978 153.175,979 7.314,980 9.528,984 4.205,986 36.022,987 547.6,988 43,991 -3.158,993 36.356,997 -0.259,999 58.614,1000 65.816,1001 0.293,1002 0.646,1003 0.848,1004 0.901,1005 0.901,1006 0.901,1007 5.056,1008 1.441,1009 5.994,1010 5.489,1011 4.595,1012 5.069,1013 3.39,1014 6.849,1015 4.466,1016 6.281,1017 1.414,1018 7.583,1019 4.242,1020 4.369,1021 5.182,1022 1.305,1023 7.984,1024 4.15,1025 7.63,1026 1.274,1027 9.278,1028 3.461,1029 6.275,1030 7.326,1031 5.489,1032 11.01,1033 5.997,1034 9.015,1035 1.014,1036 11.034,1037 2.972,1038 6.825,1039 8.219,1040 2.354,1041 12.918,1042 6.442,1043 10.434,1044 1,1045 12.828,1046 2.275,1047 8.256,1048 9.932,1049 7.817,1050 15.525,1051 7.812,1052 11.875,1053 0.819,1054 14.649,1055 2.161,1056 9.145,1057 11.145,1058 3.414,1059 17.734,1060 8.594,1061 13.334,1062 0.206,1063 16.488,1064 1.686,1065 10.4,1066 12.712,1067 10.18,1068 20.212,1069 9.781,1070 3.338,1071 -0.045,1072 18.34,1073 0.532,1074 11.443,1075 14.067,1076 4.466,1077 22.545,1078 10.721,1079 3.063,1080 11.644,1081 20.203,1082 -0.105,1083 12.636,1084 15.58,1085 12.549,1086 24.984,1087 11.839,1088 2.822,1089 10.613,1090 22.075,1091 4.522,1092 13.749,1093 17.002,1094 5.504,1095 27.37,1096 12.857,1097 2.605,1098 9.091,1099 23.953,1100 4.147,1101 14.924,1102 18.496,1103 14.92,1104 29.8,1105 13.953,1106 2.456,1107 8.283,1108 25.837,1109 3.687,1110 16.071,1111 19.951,1112 6.531,1113 32.212,1114 15.01,1115 2.069,1116 7.334,1117 27.726,1118 3.142,1119 17.244,1120 21.44,1121 17.29,1122 34.643,1123 16.102,1124 1.935,1125 5.738,1126 29.619,1127 2.918,1128 18.408,1129 22.912,1130 7.551,1131 37.068,1132 17.18,1133 11865,1134 20317,1135 22.364,1136 37.87,1137 50.941,1138 54.374,1139 52.57,1140 50.978,1141 50.915,1142 63.704,1143 13.671,1144 151.041,1145 47.764,1146 5.745,1147 7.149,1148 6.684,1149 5.375,1150 5.338,1151 7.522,1152 6.545,1153 19.026,1154 5.083,1155 16.72,1156 1.498,1157 1.599,1158 1.546,1159 1.499,1160 1.498,1161 1.874,1162 0.402,1163 4.442,1164 1.405,1165 4.128,1166 4.131,1167 4.738,1168 4.104,1169 7.713,1170 4.019,1171 3.929,1172 3.94,1173 3.955,1174 3.865,1175 7.431,1176 3.842,1177 3.811,1178 3.851,1179 3.767,1180 3.639,1181 6.999,1182 3.635,1183 3.644,1184 3.705,1185 3.588,1186 3.443,1187 4.978,1188 3.444,1189 3.547,1190 3.576,1191 3.479,1192 3.363,1193 4.673,1194 3.363,1195 3.265,1196 3.352,1197 3.108,1198 3.089,1199 4.602,1200 3.065,1201 3.246,1202 3.303,1203 3.037,1204 3.022,1205 4.224,1206 3.031,1207 3.158,1208 3.225,1209 3.019,1210 2.983,1211 4.049,1212 2.969,1213 0.14,1214 0.151,1215 0.203,1216 0.125,1217 0.098,1218 4.745,1219 0.133,1220 5.149,1221 0.096,1222 6.912,1223 0.342,1224 4.251,1225 0.091,1226 3.338,1227 4.522,1228 3.272,1229 11.644,1230 3.083,1231 2.012,1232 2.009,1233 2.05,1234 2.122,1235 1.43,1236 2.139,1237 1.884,1238 1.869,1239 1.97,1240 1.985,1241 1.238,1242 1.995,1243 1.737,1244 1.692,1245 1.898,1246 1.939,1247 1.1,1248 1.956,1249 1.561,1250 1.489,1251 1.842,1252 1.818,1253 0.988,1254 1.826,1255 1.442,1256 1.425,1257 1.637,1258 1.62,1259 0.895,1260 1.624,1261 1.291,1262 1.209,1263 1.492,1264 1.519,1265 0.752,1266 1.562,1267 1.149,1268 1.103,1269 1.374,1270 1.44,1271 0.631,1272 1.423,1273 1.147,1274 1.08,1275 1.295,1276 1.358,1277 0.454,1278 1.401,1279 4.234,1281 5.58,1283 7.122,1285 8.757,1287 10.442,1289 3.903,1295 2.8,1296 5.459,1297 5.553,1299 0.092,1300 2.124,1305 35.948,1306 99.533,1307 219.524,1308 288.253,1309 306.253,1310 306.253,1311 306.253,1312 68.918,1313 7.915,1314 113.52,1315 121.9,1316 24,1317 12.776,1318 4,1319 3.322,1320 49.329,1321 126,1322 167,1323 0.192,1324 223.232,1325 390.81,1326 536.445,1327 28956,1329 22.01,1330 0.71,1331 0.598,1332 22.26,1333 18.536,1334 14.859,1335 0.437,1336 0.361,1337 10.446,1338 13.397,1339 10.025,1340 8.251,1341 15.713,1342 12.281,1343 14.062,1344 0.287,1345 0.204,1346 15.371,1347 10.001,1348 11.119,1349 0.176,1350 0.111,1351 11.924,1352 7.018,1353 9.433,1354 0.111,1355 0.062,1356 10.25,1357 5.247,1358 8.079,1359 0.069,1360 0.035,1361 9.053,1362 4.094,1363 0.299,1364 102.485,1365 0.211,1366 28.908,1367 0.535,1368 166,1369 519.404,1370 218.959,1371 511.517,1372 687.3,1373 474,1374 195,1375 475.401,1376 254.421,1377 505.674,1378 738.39,1379 474,1380 5.342}
{0 CHEMBL2063756,1 1.716,2 11.935,3 1.653,4 2.731,5 115.978,6 7.683,7 0.353,8 4.166,9 4.279,10 3.883,11 3.69,12 5.183,13 3.652,14 4.761,15 4.932,16 4.178,17 4.085,18 5.94,19 4.034,20 5.034,21 5.244,22 4.225,23 4.229,24 6.103,25 4.167,26 5.034,27 5.255,28 4.23,29 4.209,30 6.106,31 4.145,32 5.002,33 5.217,34 4.251,35 4.236,36 6.159,37 4.161,38 5.005,39 5.201,40 4.238,41 4.327,42 5.965,43 4.211,44 5.155,45 5.375,46 4.173,47 4.334,48 6.149,49 4.191,50 5.135,51 5.389,52 3.936,53 4.135,54 6.255,55 3.973,56 0.111,57 0.91,58 14.779,59 5.703,60 17.671,61 7.025,62 0.549,63 1.453,64 29,65 9.745,66 68.98,67 12.416,68 0.699,69 1.754,70 37.426,71 11.161,72 79.893,73 15.213,74 0.643,75 1.771,76 36.967,77 10.391,78 73.151,79 15.261,80 0.815,81 1.733,82 34.667,83 10.944,84 89.219,85 15.375,86 0.391,87 1.792,88 36.254,89 13.787,90 47.376,91 17.664,92 0.632,93 1.866,94 47.843,95 15.797,96 83.224,97 20.186,98 1.028,99 1.592,100 45.17,101 14.547,102 138.876,103 19.443,104 30,105 49,106 0.28,107 0.618,108 0.811,109 0.861,110 0.861,111 0.861,112 3.472,113 1.084,114 -3.39,115 -3.37,116 -3.23,119 36.2,120 2,121 1,125 6,127 1,142 4,143 2,144 1,146 1,147 1,149 1,159 1,172 4,174 3,175 7,178 2,179 1,180 3,183 5,186 1,187 9,192 2,195 2,198 1,199 11,204 4,207 3,211 7,212 5,217 2,220 4,224 4,227 2,229 1,232 8,236 1,237 6,245 4,249 4,250 6,253 3,255 2,258 3,263 6,275 1642,276 20.679,277 20.679,278 20.679,279 20.679,280 20.679,281 18.826,282 26.667,283 12.121,284 21.438,285 16.768,286 16.768,287 16.768,288 16.768,289 16.768,290 13.698,291 34.62,292 5.717,293 17.949,294 4.142,295 2.073,296 0.888,297 0.578,298 0.578,299 0.578,300 4.166,304 1,305 1,306 794,307 3.606,311 344.022,315 139.247,318 1.886,319 43.136,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 68.5,331 370,332 4.745,333 5.149,334 6.912,335 4.251,336 3.338,337 4.522,338 3.272,339 11.644,340 3.083,341 4.449,342 3.545,343 6.625,344 3.958,345 3.063,346 4.147,347 1.656,348 10.613,349 2.75,350 4.124,351 3.403,352 6.16,353 3.785,354 2.822,355 3.687,356 0.86,357 9.091,358 2.659,359 3.842,360 2.959,361 5.951,362 3.559,363 2.605,364 3.142,365 0.8,366 8.283,367 2.466,368 3.727,369 2.764,370 5.47,371 3.425,372 2.456,373 2.918,374 0.247,375 7.334,376 2.358,377 3.45,378 2.537,379 5.09,380 3.05,381 2.069,382 2.679,384 5.738,385 2.018,386 3.155,387 2.385,388 4.82,389 2.877,390 1.935,391 2.272,393 5.489,394 1.821,395 2.872,396 2.244,397 4.458,398 2.395,399 1.441,400 2.025,402 4.242,403 1.369,404 2.5,405 1.799,406 4.173,407 2.337,408 1.414,409 1.5,411 3.461,412 1.302,413 2.414,414 1.511,415 3.782,416 2.18,417 1.274,418 1.414,420 2.972,421 1.139,422 2.32,423 1.485,424 3.581,425 2,426 1.014,427 1.315,428 2.275,429 1,430 2.122,431 1.431,432 3.414,433 1.982,434 1,435 1.076,436 2.161,437 0.975,438 1.967,439 1,440 3.151,441 1.739,442 0.819,443 0.909,445 1.686,446 0.746,447 1.49,448 0.688,449 3.034,450 1.167,451 0.206,452 0.245,454 0.532,455 0.197,456 1.251,457 0.544,458 2.899,459 0.915,460 -0.045,461 -0.052,463 -0.105,464 -0.043,465 14.667,466 0.473,467 0.899,468 0.029,469 38.5,470 1.242,471 17.5,472 0.565,473 21,474 0.677,475 29.312,476 0.946,477 35.133,478 0.606,479 30.756,480 0.992,481 7.093,482 0.229,483 7.766,484 0.251,485 0.136,486 0.057,487 0.3,493 0.664,494 1.525,495 0.837,496 1.302,497 0.618,498 1.044,499 0.811,500 1.157,501 1.051,502 1.126,503 0.557,504 0.974,505 1.235,506 1.067,507 0.991,508 0.881,509 1.151,510 0.918,511 1.082,512 1.106,513 0.872,514 0.905,515 0.968,516 0.947,517 0.82,518 0.894,519 0.843,520 0.785,521 0.837,522 0.903,523 0.702,524 1.111,525 1.08,526 1.225,527 0.662,528 1.183,529 0.906,530 1.131,531 1.274,532 1.348,533 0.923,534 1.226,535 0.922,536 0.875,537 0.949,538 0.997,539 1.168,540 1.072,541 7.5,542 0.202,543 3.778,544 2.125,545 2.213,546 1.375,547 0.991,548 0.569,549 0.368,550 0.224,551 12216,552 35315,553 2.057,554 46.6,556 17,559 2,560 2,561 6,564 1.74,565 1.908,566 3.466,567 0.289,569 1,573 99.533,574 1.716,575 3.785,576 4.97,577 5.28,578 5.28,579 5.28,580 2.95,581 4.583,582 4.917,583 3.675,584 1708.67,585 8.612,586 23890.6,588 1,590 1,591 339.763,592 1.595,593 4.87,594 0.221,595 0.01,596 0.077,597 0.042,598 0.045,599 0.027,600 0.02,601 0.013,602 0.012,603 0.009,604 0.475,605 0.33,606 0.88,607 1.224,608 160.031,609 0.018,610 -0.223,611 0.185,612 -0.073,613 -0.093,614 0.007,615 0.125,616 -0.003,617 -0.013,618 -0.026,619 0.186,620 0.021,621 -0.196,622 -0.017,623 -0.07,624 0.058,625 -0.141,626 0.032,627 -0.144,628 -0.056,629 0.002,630 -0.002,631 -0.089,632 0.002,633 0.08,634 0.185,635 0.024,636 0.13,637 0.052,638 0.051,639 -0.025,640 -0.017,641 -0.096,642 -0.112,643 -0.025,644 -0.136,645 -0.053,646 -0.129,647 -0.172,648 -0.216,649 -0.058,650 -0.185,651 0.137,652 -0.034,653 0.006,654 -0.047,655 0.021,656 -0.071,657 4.075,658 5.318,659 0.71,660 33.707,661 1.011,662 1.135,663 2.16,664 4.666,665 0.653,666 3.555,667 3.912,668 4.159,669 4.454,670 4.771,671 4.898,672 5.1,673 5.268,674 5.394,675 5.451,676 6.9,677 0.62,678 445.6,679 3.555,680 5.118,681 5.969,682 6.868,683 7.744,684 8.65,685 9.539,686 10.449,687 11.346,688 12.259,689 8.6,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 58,733 15,734 1,735 34,737 61,738 21,739 10,740 2,741 4,746 4,747 5,751 1,752 2,755 2,758 2,761 11,762 10,766 3,769 1,771 3,775 1,778 1,781 27,782 9,783 2,784 10,785 1,790 5,794 0.75,795 4,806 1,812 4,816 1,839 1,840 3,842 1,844 2,848 31,851 1,854 7,855 2,856 1,858 1,859 1,870 6.9,873 3,874 1,877 16.25,878 10.85,879 6.722,880 3.653,881 2.436,882 1.308,883 0.98,884 6.467,885 10.351,886 3.784,887 4.382,888 4.824,889 5.403,890 6.007,891 6.346,892 6.812,893 7.234,894 7.582,895 7.888,896 0.875,897 51,898 11.716,900 5.247,901 7.884,902 22.086,904 18.659,905 2.384,906 73.917,910 294.278,911 100.148,912 72.717,914 80.458,916 6.046,917 94.102,918 374.735,919 72.717,920 17.65,921 53.752,922 43.951,923 114.029,924 17.337,925 6.604,926 294.278,928 294.278,929 166.819,930 80.458,931 6.046,933 225.979,934 140.084,935 11,937 74.159,938 56.761,939 39.617,941 294.278,942 153.175,943 100.148,945 6.046,946 294.278,947 38.546,948 58.68,949 36.022,950 114.029,951 294.278,952 153.175,953 100.148,955 0.586,956 0.33,957 0.178,958 0.105,959 24,960 11,961 0.066,962 4,963 1,964 1.091,965 4.099,966 288.171,967 0.091,968 22,969 147.58,973 1,974 22.003,975 9.112,976 5.003,978 153.175,979 7.314,980 9.528,984 4.205,986 36.022,987 547.6,988 43,991 -3.158,993 36.356,997 -0.259,999 58.614,1000 65.816,1001 0.293,1002 0.646,1003 0.848,1004 0.901,1005 0.901,1006 0.901,1007 5.056,1008 1.441,1009 5.994,1010 5.489,1011 4.595,1012 5.069,1013 3.39,1014 6.849,1015 4.466,1016 6.281,1017 1.414,1018 7.583,1019 4.242,1020 4.369,1021 5.182,1022 1.305,1023 7.984,1024 4.15,1025 7.63,1026 1.274,1027 9.278,1028 3.461,1029 6.275,1030 7.326,1031 5.489,1032 11.01,1033 5.997,1034 9.015,1035 1.014,1036 11.034,1037 2.972,1038 6.825,1039 8.219,1040 2.354,1041 12.918,1042 6.442,1043 10.434,1044 1,1045 12.828,1046 2.275,1047 8.256,1048 9.932,1049 7.817,1050 15.525,1051 7.812,1052 11.875,1053 0.819,1054 14.649,1055 2.161,1056 9.145,1057 11.145,1058 3.414,1059 17.734,1060 8.594,1061 13.334,1062 0.206,1063 16.488,1064 1.686,1065 10.4,1066 12.712,1067 10.18,1068 20.212,1069 9.781,1070 3.338,1071 -0.045,1072 18.34,1073 0.532,1074 11.443,1075 14.067,1076 4.466,1077 22.545,1078 10.721,1079 3.063,1080 11.644,1081 20.203,1082 -0.105,1083 12.636,1084 15.58,1085 12.549,1086 24.984,1087 11.839,1088 2.822,1089 10.613,1090 22.075,1091 4.522,1092 13.749,1093 17.002,1094 5.504,1095 27.37,1096 12.857,1097 2.605,1098 9.091,1099 23.953,1100 4.147,1101 14.924,1102 18.496,1103 14.92,1104 29.8,1105 13.953,1106 2.456,1107 8.283,1108 25.837,1109 3.687,1110 16.071,1111 19.951,1112 6.531,1113 32.212,1114 15.01,1115 2.069,1116 7.334,1117 27.726,1118 3.142,1119 17.244,1120 21.44,1121 17.29,1122 34.643,1123 16.102,1124 1.935,1125 5.738,1126 29.619,1127 2.918,1128 18.408,1129 22.912,1130 7.551,1131 37.068,1132 17.18,1133 11865,1134 20317,1135 22.364,1136 37.87,1137 50.941,1138 54.374,1139 52.57,1140 50.978,1141 50.915,1142 63.704,1143 13.671,1144 151.041,1145 47.764,1146 5.745,1147 7.149,1148 6.684,1149 5.375,1150 5.338,1151 7.522,1152 6.545,1153 19.026,1154 5.083,1155 16.72,1156 1.498,1157 1.599,1158 1.546,1159 1.499,1160 1.498,1161 1.874,1162 0.402,1163 4.442,1164 1.405,1165 4.128,1166 4.131,1167 4.738,1168 4.104,1169 7.713,1170 4.019,1171 3.929,1172 3.94,1173 3.955,1174 3.865,1175 7.431,1176 3.842,1177 3.811,1178 3.851,1179 3.767,1180 3.639,1181 6.999,1182 3.635,1183 3.644,1184 3.705,1185 3.588,1186 3.443,1187 4.978,1188 3.444,1189 3.547,1190 3.576,1191 3.479,1192 3.363,1193 4.673,1194 3.363,1195 3.265,1196 3.352,1197 3.108,1198 3.089,1199 4.602,1200 3.065,1201 3.246,1202 3.303,1203 3.037,1204 3.022,1205 4.224,1206 3.031,1207 3.158,1208 3.225,1209 3.019,1210 2.983,1211 4.049,1212 2.969,1213 0.14,1214 0.151,1215 0.203,1216 0.125,1217 0.098,1218 4.745,1219 0.133,1220 5.149,1221 0.096,1222 6.912,1223 0.342,1224 4.251,1225 0.091,1226 3.338,1227 4.522,1228 3.272,1229 11.644,1230 3.083,1231 2.012,1232 2.009,1233 2.05,1234 2.122,1235 1.43,1236 2.139,1237 1.884,1238 1.869,1239 1.97,1240 1.985,1241 1.238,1242 1.995,1243 1.737,1244 1.692,1245 1.898,1246 1.939,1247 1.1,1248 1.956,1249 1.561,1250 1.489,1251 1.842,1252 1.818,1253 0.988,1254 1.826,1255 1.442,1256 1.425,1257 1.637,1258 1.62,1259 0.895,1260 1.624,1261 1.291,1262 1.209,1263 1.492,1264 1.519,1265 0.752,1266 1.562,1267 1.149,1268 1.103,1269 1.374,1270 1.44,1271 0.631,1272 1.423,1273 1.147,1274 1.08,1275 1.295,1276 1.358,1277 0.454,1278 1.401,1279 4.234,1281 5.58,1283 7.122,1285 8.757,1287 10.442,1289 3.903,1295 2.8,1296 5.459,1297 5.553,1299 0.092,1300 2.124,1305 35.948,1306 99.533,1307 219.524,1308 288.253,1309 306.253,1310 306.253,1311 306.253,1312 68.918,1313 7.915,1314 113.52,1315 121.9,1316 24,1317 12.776,1318 4,1319 3.322,1320 49.329,1321 126,1322 167,1323 0.192,1324 223.232,1325 390.81,1326 536.445,1327 28956,1329 22.01,1330 0.71,1331 0.598,1332 22.26,1333 18.536,1334 14.859,1335 0.437,1336 0.361,1337 10.446,1338 13.397,1339 10.025,1340 8.251,1341 15.713,1342 12.281,1343 14.062,1344 0.287,1345 0.204,1346 15.371,1347 10.001,1348 11.119,1349 0.176,1350 0.111,1351 11.924,1352 7.018,1353 9.433,1354 0.111,1355 0.062,1356 10.25,1357 5.247,1358 8.079,1359 0.069,1360 0.035,1361 9.053,1362 4.094,1363 0.299,1364 102.485,1365 0.211,1366 28.908,1367 0.535,1368 166,1369 519.404,1370 218.959,1371 511.517,1372 687.3,1373 474,1374 195,1375 475.401,1376 254.421,1377 505.674,1378 738.39,1379 474,1380 5.342}
{0 CHEMBL2063757,1 1.716,2 11.871,3 1.967,4 3.869,5 115.898,6 7.683,7 0.353,8 4.166,9 4.279,10 3.883,11 3.69,12 5.182,13 3.652,14 4.76,15 4.933,16 4.199,17 4.088,18 5.946,19 4.035,20 5.031,21 5.243,22 4.313,23 4.238,24 6.086,25 4.177,26 5.047,27 5.254,28 4.309,29 4.229,30 6.26,31 4.167,32 5.011,33 5.215,34 4.269,35 4.26,36 6.114,37 4.184,38 5.026,39 5.2,40 4.275,41 4.331,42 6.106,43 4.234,44 5.166,45 5.377,46 4.114,47 4.313,48 6.275,49 4.182,50 5.107,51 5.39,52 3.81,53 4.119,54 6.04,55 3.934,56 0.111,57 0.91,58 14.779,59 5.703,60 17.573,61 7.025,62 0.542,63 1.452,64 27.746,65 9.618,66 66.653,67 12.354,68 0.661,69 1.78,70 39.258,71 11.02,72 68.853,73 15.393,74 0.844,75 1.778,76 38.323,77 11.403,78 98.79,79 15.513,80 0.689,81 1.761,82 38.22,83 11.476,84 85.321,85 14.894,86 0.531,87 1.801,88 40.474,89 14,90 70.87,91 17.048,92 0.878,93 1.831,94 42.647,95 14.699,96 120.058,97 19.437,98 0.699,99 1.58,100 43.618,101 14.553,102 89.258,103 20.353,104 30,105 49,106 0.28,107 0.618,108 0.811,109 0.861,110 0.861,111 0.861,112 3.472,113 1.074,114 -3.66,115 -3.63,116 -3.45,119 36.2,120 2,121 2,125 5,127 1,142 4,143 1,144 2,146 1,147 1,149 1,159 1,172 5,174 3,175 4,178 2,179 1,180 3,183 4,186 1,187 8,192 2,195 2,198 7,199 13,204 4,207 1,211 1,212 6,217 2,220 3,224 8,227 2,229 1,232 8,236 3,237 6,245 7,249 2,250 7,253 3,255 1,258 3,263 2,268 1,275 1612,276 20.756,277 20.756,278 20.756,279 20.756,280 20.756,281 18.978,282 26.663,283 12.195,284 21.52,285 16.762,286 16.762,287 16.762,288 16.762,289 16.762,290 13.785,291 32.634,292 5.71,293 17.974,294 4.142,295 2.073,296 0.888,297 0.578,298 0.578,299 0.578,300 4.166,304 1,305 1,306 790,307 3.606,311 339.412,315 137.975,318 1.836,319 44.774,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 68.5,331 368,332 4.946,333 5.267,334 7.546,335 4.412,336 3.527,337 4.803,338 2.95,339 13.569,340 3.12,341 4.309,342 3.545,343 6.488,344 3.877,345 2.95,346 3.961,347 1.656,348 10.024,349 2.764,350 4.053,351 3.35,352 6.155,353 3.771,354 2.82,355 3.557,356 0.86,357 9.09,358 2.628,359 3.842,360 2.959,361 5.707,362 3.528,363 2.571,364 3.1,365 0.8,366 7.571,367 2.448,368 3.65,369 2.778,370 5.466,371 3.267,372 2.304,373 2.887,374 0.247,375 7.257,376 2.195,377 3.425,378 2.442,379 5.089,380 3.028,381 2.048,382 2.654,384 5.71,385 1.996,386 3.152,387 2.325,388 4.817,389 2.888,390 1.945,391 2.266,393 5.469,394 1.83,395 2.811,396 2.179,397 4.427,398 2.347,399 1.414,400 1.935,402 4.013,403 1.322,404 2.5,405 1.763,406 4.169,407 2.31,408 1.375,409 1.5,411 3.348,412 1.277,413 2.414,414 1.512,415 3.775,416 2.258,417 1.317,418 1.414,420 2.972,421 1.223,422 2.368,423 1.494,424 3.578,425 2,426 1.021,427 1.363,428 2.507,429 1,430 2.168,431 1.218,432 3.414,433 1.981,434 1,435 1.129,436 2.275,437 0.974,438 2.121,439 1,440 3.145,441 1.919,442 1,443 1.075,445 1.687,446 0.911,447 1.389,448 0.701,449 3.033,450 1.014,451 0.053,452 0.065,454 0.135,455 0.051,456 1.217,457 0.53,458 2.899,459 0.889,460 -0.076,461 -0.088,463 -0.189,464 -0.072,465 14.667,466 0.473,467 0.872,468 0.028,469 38.5,470 1.242,471 17.5,472 0.565,473 21,474 0.677,475 29.392,476 0.948,477 35.133,478 0.606,479 31.26,480 1.008,481 7.015,482 0.226,483 7.871,484 0.254,485 0.136,486 0.057,487 0.3,493 0.664,494 1.525,495 0.837,496 1.302,497 0.619,498 1.044,499 0.802,500 1.131,501 0.927,502 1.035,503 0.55,504 0.952,505 1.1,506 1.109,507 0.951,508 0.953,509 1,510 0.879,511 1.016,512 1.088,513 0.955,514 0.938,515 1.039,516 0.941,517 1.247,518 0.93,519 1.156,520 0.918,521 1.263,522 0.916,523 1.032,524 1.162,525 1.367,526 1.397,527 1.136,528 1.229,529 1.021,530 1.075,531 1.106,532 1.147,533 1.189,534 1.259,535 0.609,536 0.873,537 0.81,538 0.984,539 0.576,540 1.031,541 7,542 0.161,543 4,544 2.75,545 2.133,546 1.611,547 0.833,548 0.556,549 0.262,550 0.255,551 12008,552 33971,553 2.057,554 46.6,556 15,559 2,560 2,561 8,564 1.74,565 1.908,566 3.411,567 0.289,569 1,573 99.533,574 1.716,575 3.785,576 4.97,577 5.28,578 5.28,579 5.28,580 2.884,581 4.672,582 4.918,583 3.643,584 1693.8,585 8.614,586 23497.9,588 1,590 1,591 339.763,592 1.595,593 4.87,594 0.206,595 0.008,596 0.082,597 0.052,598 0.04,599 0.032,600 0.016,601 0.014,602 0.009,603 0.012,604 0.469,605 0.33,606 0.88,607 1.224,608 159.524,609 0.018,610 -0.223,611 0.185,612 -0.073,613 -0.094,614 0.007,615 0.133,616 0.014,617 0.057,618 0.027,619 0.192,620 0.036,621 -0.114,622 -0.044,623 0.052,624 0.047,625 -0.085,626 0.089,627 0.041,628 -0.023,629 0.01,630 0.019,631 0.04,632 0.004,633 -0.229,634 0.18,635 -0.112,636 0.114,637 -0.171,638 0.044,639 -0.124,640 -0.045,641 -0.246,642 -0.206,643 -0.104,644 -0.194,645 -0.027,646 -0.112,647 -0.211,648 -0.174,649 -0.077,650 -0.263,651 0.148,652 -0.04,653 0.092,654 -0.046,655 0.097,656 0.002,657 4.349,658 5.908,659 0.71,660 32.387,661 1.011,662 1.135,663 2.428,664 5.896,665 0.653,666 3.555,667 3.912,668 4.19,669 4.5,670 4.771,671 4.927,672 5.088,673 5.247,674 5.375,675 5.485,676 6.784,677 0.62,678 445.6,679 3.555,680 5.118,681 5.979,682 6.884,683 7.769,684 8.686,685 9.583,686 10.506,687 11.409,688 12.336,689 8.6,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 58,733 15,734 1,735 34,737 61,738 21,739 10,740 2,741 4,746 4,747 5,751 1,752 2,755 3,758 3,761 11,762 10,766 3,769 1,771 3,775 1,778 1,781 27,782 9,783 2,784 10,785 1,790 5,794 0.75,795 4,806 1,812 4,816 1,839 1,840 3,842 1,844 2,848 31,851 1,854 7,855 2,856 1,858 1,859 1,870 6.9,873 3,874 1,877 16.25,878 10.85,879 6.764,880 3.736,881 2.436,882 1.308,883 0.98,884 6.467,885 10.351,886 3.784,887 4.382,888 4.887,889 5.481,890 6.024,891 6.404,892 6.857,893 7.234,894 7.586,895 7.98,896 0.875,897 53,898 11.773,900 5.325,901 7.884,902 22.086,904 18.65,905 2.384,906 73.917,910 294.278,911 100.148,912 72.717,914 80.458,916 6.046,917 94.102,918 374.735,919 72.717,920 17.65,921 55.386,922 43.951,923 114.029,924 15.702,925 6.604,926 294.278,928 294.278,929 166.819,930 80.458,931 6.046,933 202.437,934 163.627,935 11,937 75.794,938 55.126,939 39.617,941 294.278,942 153.175,943 100.148,945 6.046,946 294.278,947 38.546,948 58.68,949 36.022,950 114.029,951 294.278,952 153.175,953 100.148,955 0.585,956 0.339,957 0.188,958 0.103,959 24,960 11,961 0.066,962 4,963 1,964 1.091,965 4.063,966 291.105,967 0.091,968 22,969 145.58,973 1,974 22.003,975 9.112,976 4.689,978 153.175,979 7.211,980 9.358,984 3.209,986 36.022,987 547.6,988 43,991 -3.432,993 37.535,997 -0.269,999 58.614,1000 65.816,1001 0.293,1002 0.646,1003 0.848,1004 0.901,1005 0.901,1006 0.901,1007 5.056,1008 1.414,1009 6.004,1010 5.469,1011 4.595,1012 5.069,1013 3.244,1014 6.887,1015 4.459,1016 6.281,1017 1.375,1018 7.61,1019 4.013,1020 4.369,1021 5.182,1022 1.305,1023 8.109,1024 4.121,1025 7.634,1026 1.317,1027 9.332,1028 3.348,1029 6.29,1030 7.347,1031 5.101,1032 11.206,1033 5.981,1034 9.028,1035 1.021,1036 11.125,1037 2.972,1038 6.878,1039 8.284,1040 2.354,1041 13.283,1042 6.423,1043 10.462,1044 1,1045 12.966,1046 2.507,1047 8.325,1048 10.02,1049 7.204,1050 15.998,1051 7.803,1052 11.924,1053 1,1054 14.843,1055 2.275,1056 9.275,1057 11.304,1058 3.414,1059 18.403,1060 8.595,1061 13.409,1062 0.053,1063 16.746,1064 1.687,1065 10.561,1066 12.908,1067 9.353,1068 21.024,1069 9.793,1070 3.527,1071 -0.076,1072 18.67,1073 0.135,1074 11.672,1075 14.342,1076 4.466,1077 23.553,1078 10.75,1079 2.95,1080 13.569,1081 20.611,1082 -0.189,1083 12.911,1084 15.906,1085 11.513,1086 26.155,1087 11.88,1088 2.82,1089 10.024,1090 22.566,1091 4.803,1092 14.094,1093 17.408,1094 5.504,1095 28.731,1096 12.915,1097 2.571,1098 9.09,1099 24.532,1100 3.961,1101 15.326,1102 18.964,1103 13.675,1104 31.332,1105 14.026,1106 2.304,1107 7.571,1108 26.507,1109 3.557,1110 16.543,1111 20.498,1112 6.531,1113 33.925,1114 15.1,1115 2.048,1116 7.257,1117 28.49,1118 3.1,1119 17.78,1120 22.054,1121 15.839,1122 36.528,1123 16.208,1124 1.945,1125 5.71,1126 30.48,1127 2.887,1128 19.014,1129 23.603,1130 7.551,1131 39.13,1132 17.304,1133 11671,1134 19789,1135 22.364,1136 37.87,1137 50.883,1138 54.214,1139 52.949,1140 50.766,1141 50.692,1142 63.421,1143 13.026,1144 151.254,1145 47.473,1146 5.946,1147 7.267,1148 7.318,1149 5.551,1150 5.527,1151 7.803,1152 5.9,1153 21.601,1154 5.12,1155 16.5,1156 1.497,1157 1.595,1158 1.557,1159 1.493,1160 1.491,1161 1.865,1162 0.383,1163 4.449,1164 1.396,1165 4.147,1166 4.143,1167 4.751,1168 4.129,1169 7.714,1170 4.043,1171 3.917,1172 3.936,1173 3.924,1174 3.854,1175 7.431,1176 3.837,1177 3.791,1178 3.837,1179 3.732,1180 3.603,1181 6.999,1182 3.605,1183 3.631,1184 3.699,1185 3.571,1186 3.395,1187 4.968,1188 3.41,1189 3.482,1190 3.518,1191 3.462,1192 3.323,1193 4.668,1194 3.308,1195 3.326,1196 3.361,1197 3.213,1198 3.182,1199 4.6,1200 3.147,1201 3.264,1202 3.346,1203 3.08,1204 3.086,1205 4.224,1206 3.063,1207 3.229,1208 3.289,1209 3.037,1210 2.98,1211 4.074,1212 3.003,1213 0.145,1214 0.155,1215 0.222,1216 0.13,1217 0.104,1218 4.946,1219 0.141,1220 5.267,1221 0.087,1222 7.546,1223 0.399,1224 4.412,1225 0.092,1226 3.527,1227 4.803,1228 2.95,1229 13.569,1230 3.12,1231 2.02,1232 2.024,1233 2.045,1234 2.124,1235 1.427,1236 2.143,1237 1.882,1238 1.864,1239 1.97,1240 1.985,1241 1.237,1242 1.992,1243 1.727,1244 1.676,1245 1.921,1246 1.935,1247 1.1,1248 1.949,1249 1.559,1250 1.482,1251 1.843,1252 1.817,1253 0.988,1254 1.825,1255 1.387,1256 1.347,1257 1.639,1258 1.595,1259 0.895,1260 1.59,1261 1.291,1262 1.234,1263 1.519,1264 1.519,1265 0.712,1266 1.559,1267 1.244,1268 1.205,1269 1.334,1270 1.436,1271 0.67,1272 1.475,1273 1.135,1274 1.081,1275 1.295,1276 1.417,1277 0.454,1278 1.413,1279 4.234,1281 5.58,1283 7.132,1285 8.784,1287 10.492,1289 3.855,1295 3.446,1296 5.442,1297 5.532,1299 0.015,1300 2.015,1305 35.948,1306 99.533,1307 219.524,1308 288.253,1309 306.253,1310 306.253,1311 306.253,1312 71.423,1313 7.915,1314 113.52,1315 121.9,1316 24,1317 12.845,1318 4,1319 3.322,1320 49.333,1321 124,1322 167,1323 0.196,1324 223.232,1325 390.81,1326 536.445,1327 28952,1329 22.01,1330 0.71,1331 0.598,1332 22.26,1333 18.536,1334 14.886,1335 0.438,1336 0.358,1337 10.493,1338 13.441,1339 10.107,1340 8.332,1341 15.707,1342 12.174,1343 13.898,1344 0.284,1345 0.2,1346 15.184,1347 9.794,1348 11.251,1349 0.173,1350 0.112,1351 12.338,1352 7.3,1353 9.861,1354 0.111,1355 0.063,1356 11.004,1357 5.584,1358 7.875,1359 0.067,1360 0.035,1361 8.896,1362 4.131,1363 0.305,1364 102.322,1365 0.211,1366 28.816,1367 0.549,1368 166,1369 519.404,1370 222.3,1371 511.355,1372 691.3,1373 474,1374 197,1375 480.087,1376 262.931,1377 512.764,1378 755.79,1379 482,1380 5.342}
{0 CHEMBL2063759,1 1.711,2 12.063,3 1.794,4 3.217,5 118.441,6 7.756,7 0.333,8 4.197,9 4.307,10 3.924,11 3.738,12 5.187,13 3.702,14 4.811,15 4.974,16 4.249,17 4.163,18 5.97,19 4.113,20 5.115,21 5.326,22 4.252,23 4.29,24 6.146,25 4.217,26 5.054,27 5.291,28 4.213,29 4.21,30 6.089,31 4.137,32 4.954,33 5.162,34 4.259,35 4.205,36 6.125,37 4.141,38 4.966,39 5.154,40 4.237,41 4.311,42 5.95,43 4.214,44 5.121,45 5.324,46 4.25,47 4.362,48 6.092,49 4.229,50 5.149,51 5.397,52 4.099,53 4.226,54 6.222,55 4.077,56 0.111,57 0.939,58 14.788,59 5.901,60 17.782,61 7.16,62 0.514,63 1.547,64 29.371,65 10.456,66 66.631,67 13.115,68 0.774,69 1.873,70 40.606,71 12.535,72 85.967,73 16.678,74 0.647,75 1.815,76 38.097,77 10.566,78 72.316,79 15.618,80 0.763,81 1.678,82 32.654,83 10.558,84 83.04,85 14.552,86 0.417,87 1.762,88 34.78,89 12.872,90 45.995,91 16.249,92 0.564,93 1.876,94 41.708,95 15.328,96 79.378,97 19.43,98 0.886,99 1.745,100 48.22,101 15.724,102 110.408,103 20.49,104 21,105 53,106 0.277,107 0.616,108 0.799,109 0.825,110 0.825,111 0.825,112 3.503,113 1.073,114 -3.61,115 -3.58,116 -3.41,119 37.3,120 1,121 3,125 5,127 2,142 4,143 2,144 1,146 1,147 1,149 1,159 1,172 5,174 3,175 8,178 2,179 1,180 3,183 5,186 1,187 10,192 2,195 2,198 1,199 10,204 4,207 2,211 7,212 7,217 2,220 6,224 3,227 2,229 1,232 6,236 1,237 6,245 6,249 4,250 10,253 3,255 2,258 5,263 6,271 4,275 1776,276 21.522,277 21.522,278 21.522,279 21.522,280 21.522,281 19.668,282 27.242,283 12.481,284 22.246,285 17.801,286 17.801,287 17.801,288 17.801,289 17.801,290 14.726,291 35.691,292 5.958,293 18.978,294 4.171,295 2.085,296 0.954,297 0.792,298 0.792,299 0.792,300 4.21,304 1,305 1,306 855,307 3.674,310 68.442,311 340.291,312 91.642,315 141.776,318 1.938,319 44.466,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70.5,331 386,332 4.744,333 5.149,334 6.886,335 4.243,336 3.332,337 4.521,338 3.272,339 11.561,340 3.073,341 4.442,342 3.545,343 6.568,344 3.953,345 3.055,346 4.145,347 1.656,348 10.457,349 2.75,350 4.119,351 3.398,352 6.114,353 3.808,354 2.857,355 3.685,356 0.86,357 8.992,358 2.682,359 3.874,360 3.121,361 5.872,362 3.64,363 2.684,364 3.139,365 0.8,366 8.349,367 2.519,368 3.776,369 2.797,370 5.487,371 3.463,372 2.499,373 2.933,374 0.247,375 7.34,376 2.395,377 3.457,378 2.58,379 5.469,380 3.175,381 2.239,382 2.68,384 7.1,385 2.088,386 3.434,387 2.518,388 4.879,389 3.049,390 2.068,391 2.598,393 5.638,394 2.017,395 2.879,396 2.382,397 4.821,398 2.839,399 1.879,400 2.025,402 5.489,403 1.794,404 2.872,405 2.093,406 4.63,407 2.464,408 1.514,409 1.879,411 4.549,412 1.431,413 2.635,414 1.578,415 4.389,416 2.375,417 1.427,418 1.647,420 4.149,421 1.349,422 2.5,423 1.511,424 3.867,425 2,426 1.015,427 1.5,428 2.315,429 1,430 2.122,431 1.457,432 3.414,433 1.984,434 1,435 1.077,436 2.275,437 0.977,438 1.997,439 1,440 3.275,441 1.802,442 0.856,443 0.944,445 1.687,446 0.802,447 1.699,448 0.964,449 3.155,450 1.595,451 0.675,452 0.688,454 1.664,455 0.615,456 1.477,457 0.654,458 3.048,459 1.144,460 0.181,461 0.218,463 0.478,464 0.173,465 15.167,466 0.474,467 0.946,468 0.03,469 39.5,470 1.234,471 17.5,472 0.547,473 22,474 0.688,475 30.678,476 0.959,477 35.833,478 0.607,479 30.829,480 0.963,481 7.027,482 0.22,483 8.371,484 0.262,485 0.099,486 0.055,487 0.323,493 0.654,494 1.466,495 0.819,496 1.257,497 0.601,498 1.008,499 0.766,500 1.166,501 1.04,502 1.168,503 0.528,504 1.015,505 1.288,506 1.092,507 1.012,508 0.906,509 1.115,510 0.962,511 1.001,512 1.033,513 0.853,514 0.858,515 0.933,516 0.905,517 0.813,518 0.934,519 0.8,520 0.78,521 0.859,522 0.864,523 0.81,524 1.032,525 1.152,526 1.18,527 0.724,528 1.122,529 0.912,530 1.151,531 1.099,532 1.238,533 1,534 1.236,535 0.709,536 0.927,537 1.053,538 1.149,539 0.799,540 1.049,541 8.5,542 0.24,543 3.333,544 2.035,545 2.057,546 1.292,547 0.754,548 0.686,549 0.491,550 0.178,551 14119,552 38610,553 2.127,554 45.8,556 16,559 2,560 2,561 7,564 1.748,565 1.99,566 3.465,567 0.27,569 1,573 100.977,574 1.711,575 3.798,576 4.929,577 5.09,578 5.09,579 5.09,580 2.936,581 4.414,582 4.963,583 3.701,584 1835.52,585 8.704,586 26252.4,591 347.076,592 1.54,593 4.926,594 0.236,595 0.011,596 0.063,597 0.039,598 0.043,599 0.025,600 0.015,601 0.015,602 0.012,603 0.007,604 0.465,605 0.33,606 0.75,607 1.156,608 166.858,609 0.018,610 -0.187,611 0.185,612 -0.052,613 -0.082,614 0.025,615 0.139,616 -0.014,617 -0.03,618 -0.078,619 0.192,620 -0.024,621 -0.203,622 -0.084,623 -0.09,624 0.029,625 -0.135,626 -0.009,627 -0.12,628 0.005,629 0.032,630 0.027,631 -0.069,632 0.04,633 0.116,634 0.14,635 0.077,636 0.14,637 0.073,638 0.086,639 -0.079,640 0.084,641 -0.152,642 -0.079,643 -0.046,644 -0.1,645 -0.056,646 -0.152,647 -0.106,648 -0.161,649 -0.115,650 -0.204,651 0.217,652 -0.023,653 0.032,654 -0.089,655 0.139,656 -0.017,657 4.069,658 5.378,659 0.75,660 35.219,661 1.01,662 1.132,663 2.379,664 5.659,665 0.659,666 3.611,667 3.989,668 4.248,669 4.575,670 4.883,671 5.05,672 5.252,673 5.455,674 5.624,675 5.759,676 7.031,677 0.626,678 457.61,679 3.611,680 5.187,681 6.047,682 6.956,683 7.837,684 8.75,685 9.643,686 10.558,687 11.459,688 12.377,689 8.5,695 1,696 2,699 2,704 4,705 2,709 6,711 12,726 1,731 59,733 15,734 1,735 36,737 63,738 22,739 10,740 2,741 4,746 5,747 7,751 1,752 1,755 5,758 5,761 11,762 11,766 3,769 1,771 3,775 1,778 1,781 27,782 9,783 2,784 10,785 1,790 5,794 0.6,795 4,801 1,806 1,811 1,812 4,813 1,816 1,839 1,840 3,842 1,844 1,848 32,851 1,854 8,855 2,856 1,858 2,859 1,870 6.8,873 3,874 1,877 16.083,878 10.683,879 6.778,880 3.797,881 2.393,882 1.288,883 1.009,884 5.826,885 10.711,886 3.829,887 4.431,888 4.871,889 5.447,890 6.039,891 6.384,892 6.849,893 7.289,894 7.659,895 7.99,896 0.875,897 52,898 12.122,900 5.56,901 7.836,902 23.061,904 20.186,905 2.336,906 74.75,910 294.278,911 89.313,912 72.717,914 80.458,916 6.046,917 83.267,918 374.735,919 72.717,920 8.825,921 51.742,922 43.951,923 114.029,924 17.337,925 6.604,926 294.278,928 294.278,929 155.983,930 80.458,931 6.046,933 214.208,934 151.856,935 11,937 63.324,938 56.761,939 39.617,941 294.278,942 153.175,943 89.313,945 6.046,946 294.278,947 36.536,948 49.855,949 36.022,950 114.029,951 294.278,952 153.175,953 89.313,955 0.592,956 0.33,957 0.181,958 0.104,959 28,960 12,961 0.063,962 4,963 3,964 1.208,965 4.263,966 310.092,967 0.25,968 23,969 148,973 1,974 21.628,975 8.62,976 4.639,978 153.175,979 7.365,980 9.602,984 4.326,986 36.022,987 536.765,988 45,991 -3.152,993 36.502,997 -0.254,999 59.614,1000 66.816,1001 0.291,1002 0.646,1003 0.838,1004 0.865,1005 0.865,1006 0.865,1007 5.118,1008 1.879,1009 6.075,1010 5.638,1011 4.673,1012 5.118,1013 3.39,1014 6.93,1015 4.547,1016 6.339,1017 1.514,1018 7.661,1019 5.489,1020 4.443,1021 5.215,1022 1.305,1023 8.021,1024 4.214,1025 7.686,1026 1.427,1027 9.345,1028 4.549,1029 6.354,1030 7.355,1031 5.489,1032 11.044,1033 6.08,1034 9.065,1035 1.015,1036 11.088,1037 4.149,1038 6.889,1039 8.235,1040 2.354,1041 12.908,1042 6.496,1043 10.477,1044 1,1045 12.867,1046 2.315,1047 8.319,1048 9.944,1049 7.817,1050 15.507,1051 7.878,1052 11.912,1053 0.856,1054 14.672,1055 2.275,1056 9.193,1057 11.151,1058 3.414,1059 17.688,1060 8.636,1061 13.364,1062 0.675,1063 16.495,1064 1.687,1065 10.446,1066 12.716,1067 10.18,1068 20.155,1069 9.828,1070 3.332,1071 0.181,1072 18.333,1073 1.664,1074 11.476,1075 14.068,1076 4.466,1077 22.472,1078 10.751,1079 3.055,1080 11.561,1081 20.183,1082 0.478,1083 12.665,1084 15.58,1085 12.549,1086 24.9,1087 11.868,1088 2.857,1089 10.457,1090 22.042,1091 4.521,1092 13.769,1093 17,1094 5.504,1095 27.276,1096 12.873,1097 2.684,1098 8.992,1099 23.909,1100 4.145,1101 14.939,1102 18.495,1103 14.92,1104 29.697,1105 13.965,1106 2.499,1107 8.349,1108 25.783,1109 3.685,1110 16.079,1111 19.949,1112 6.531,1113 32.1,1114 15.013,1115 2.239,1116 7.34,1117 27.662,1118 3.139,1119 17.247,1120 21.438,1121 17.29,1122 34.523,1123 16.1,1124 2.068,1125 7.1,1126 29.547,1127 2.933,1128 18.407,1129 22.91,1130 7.551,1131 36.94,1132 17.171,1133 13295,1134 22130,1135 24.156,1136 38.87,1137 54.555,1138 57.957,1139 55.416,1140 54.654,1141 54.565,1142 67.36,1143 13.671,1144 164.086,1145 51.33,1146 5.744,1147 7.149,1148 6.658,1149 5.367,1150 5.332,1151 7.521,1152 6.545,1153 18.821,1154 5.073,1155 15.415,1156 1.515,1157 1.61,1158 1.539,1159 1.518,1160 1.516,1161 1.871,1162 0.38,1163 4.558,1164 1.426,1165 4.131,1166 4.137,1167 4.738,1168 4.105,1169 7.713,1170 4.022,1171 3.936,1172 3.944,1173 3.964,1174 3.867,1175 7.431,1176 3.842,1177 3.902,1178 3.939,1179 3.818,1180 3.753,1181 6.999,1182 3.753,1183 3.662,1184 3.711,1185 3.671,1186 3.499,1187 4.979,1188 3.486,1189 3.573,1190 3.61,1191 3.489,1192 3.369,1193 4.684,1194 3.376,1195 3.26,1196 3.332,1197 3.119,1198 3.054,1199 4.635,1200 3.056,1201 3.227,1202 3.285,1203 3.106,1204 3.021,1205 4.224,1206 3.022,1207 3.093,1208 3.176,1209 2.913,1210 2.951,1211 4.037,1212 2.926,1213 0.132,1214 0.143,1215 0.191,1216 0.118,1217 0.093,1218 4.744,1219 0.126,1220 5.149,1221 0.091,1222 6.886,1223 0.321,1224 4.243,1225 0.085,1226 3.332,1227 4.521,1228 3.272,1229 11.561,1230 3.073,1231 2.01,1232 2.008,1233 2.044,1234 2.117,1235 1.429,1236 2.136,1237 1.884,1238 1.869,1239 1.948,1240 1.981,1241 1.255,1242 1.995,1243 1.674,1244 1.637,1245 1.86,1246 1.885,1247 1.194,1248 1.891,1249 1.604,1250 1.543,1251 1.843,1252 1.817,1253 1.1,1254 1.825,1255 1.56,1256 1.485,1257 1.831,1258 1.76,1259 0.988,1260 1.798,1261 1.426,1262 1.411,1263 1.485,1264 1.61,1265 0.752,1266 1.609,1267 1.149,1268 1.103,1269 1.374,1270 1.439,1271 0.632,1272 1.422,1273 1.145,1274 1.079,1275 1.275,1276 1.355,1277 0.496,1278 1.398,1279 4.29,1281 5.652,1282 2.398,1283 7.2,1284 4.727,1285 8.835,1286 6.783,1287 10.52,1289 1.86,1295 4.533,1296 5.478,1297 5.968,1299 0.338,1300 2.182,1305 36.948,1306 100.977,1307 224.082,1308 290.811,1309 300.321,1310 300.321,1311 300.321,1312 65.684,1313 8.319,1314 113.52,1315 121.9,1316 29,1317 12.89,1318 4,1319 3.322,1320 45.623,1321 133,1322 176,1323 0.168,1324 225.431,1325 395.75,1326 541.811,1327 48144,1329 22.294,1330 0.697,1331 0.588,1332 22.544,1333 18.82,1334 15.398,1335 0.428,1336 0.358,1337 11.05,1338 13.958,1339 10.682,1340 8.723,1341 16.252,1342 12.88,1343 14.913,1344 0.281,1345 0.203,1346 16.222,1347 10.746,1348 11.919,1349 0.173,1350 0.112,1351 12.723,1352 7.721,1353 10.411,1354 0.108,1355 0.063,1356 11.228,1357 6.017,1358 8.827,1359 0.067,1360 0.036,1361 9.806,1362 4.686,1363 0.261,1364 105.572,1365 0.203,1366 29.688,1367 0.466,1368 178,1369 531.404,1370 231.955,1371 523.658,1372 709.24,1373 486,1374 211,1375 498.867,1376 271.584,1377 527.177,1378 773.43,1379 496,1380 5.523}
{0 CHEMBL2064327,1 1.627,2 9.923,3 4.39,4 19.27,5 96.988,6 7.876,7 0.586,8 3.934,9 4.03,10 3.547,11 3.458,12 5.084,13 3.464,14 4.465,15 4.614,16 3.917,17 3.828,18 5.602,19 3.829,20 4.705,21 4.879,22 4.003,23 3.952,24 5.851,25 3.937,26 4.71,27 4.902,28 3.903,29 3.915,30 5.836,31 3.874,32 4.674,33 4.881,34 3.867,35 3.9,36 5.83,37 3.843,38 4.609,39 4.785,40 3.815,41 3.9,42 5.673,43 3.845,44 4.662,45 4.853,46 3.775,47 3.879,48 5.768,49 3.812,50 4.612,51 4.832,52 3.607,53 3.731,54 5.725,55 3.638,56 0.085,57 0.69,58 8.424,59 4.284,60 10.43,61 4.945,62 0.285,63 1.119,64 16.779,65 6.874,66 22.203,67 8.166,68 0.541,69 1.373,70 23.266,71 8.519,72 45.029,73 10.185,74 0.523,75 1.331,76 23.937,77 8.734,78 49.146,79 10.887,80 0.711,81 1.285,82 23.859,83 8.636,84 66.494,85 11.117,86 0.362,87 1.169,88 20.662,89 8.386,90 39.699,91 10.374,92 0.502,93 1.228,94 22.737,95 8.724,96 50.248,97 10.871,98 0.529,99 1.199,100 22.995,101 8.609,102 49.717,103 11.054,104 10,105 41,106 0.28,107 0.615,108 0.766,109 0.841,110 0.849,111 0.849,112 3.305,113 0.88,114 -4.21,115 -4.15,116 -3.92,119 44.4,120 1,125 4,142 7,143 2,144 4,146 1,147 1,172 6,174 1,175 6,180 2,183 6,186 2,187 7,192 1,195 5,199 3,202 2,204 1,207 4,211 2,212 6,215 1,217 1,220 8,224 4,232 8,237 3,240 1,242 2,245 5,249 1,250 5,255 3,258 3,263 1,275 1012,276 17.654,277 17.654,278 17.654,279 17.654,280 17.654,281 15.546,282 21.649,283 10.399,284 18.177,285 14.331,286 14.331,287 14.331,288 14.331,289 14.331,290 11.175,291 27.908,292 4.963,293 15.226,294 3.865,295 1.914,296 1.031,297 0.595,298 0.55,299 0.55,300 4.004,304 1,305 1,306 563,307 2.345,311 273.911,315 105.379,318 1.396,319 31.901,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.5,331 258,332 4.618,333 3.358,334 6.71,335 4.145,336 3.185,337 4.568,338 0.86,339 10.903,340 3.059,341 4.235,342 3.169,343 6.124,344 3.825,345 2.868,346 3.884,347 0.86,348 8.997,349 2.746,350 3.935,351 2.983,352 6.059,353 3.648,354 2.713,355 3.327,356 0.8,357 8.716,358 2.527,359 3.699,360 2.769,361 5.619,362 3.285,363 2.344,364 3.095,366 7.255,367 2.195,368 3.43,369 2.483,370 4.959,371 2.997,372 2.068,373 2.748,375 5.783,376 1.898,377 3.063,378 2.284,379 4.548,380 2.749,381 1.829,382 2.224,384 4.675,385 1.681,386 2.908,387 1.837,388 4.501,389 2.478,390 1.52,391 2.042,393 4.277,394 1.451,395 2.83,396 1.609,397 4.108,398 2.4,399 1.429,400 1.949,402 3.563,403 1.386,404 2.682,405 1.507,406 3.804,407 2.269,408 1.316,409 1.739,411 3.127,412 1.242,413 2.227,414 1.294,415 3.482,416 1.958,417 1.066,418 1.203,420 2.549,421 0.946,422 2,423 1.256,424 3.247,425 1.952,426 1,427 1,428 2.136,429 0.943,430 1.677,431 0.807,432 3.102,433 1.323,434 0.41,435 0.5,436 1.015,437 0.369,438 1.318,439 0.323,440 2.734,441 0.903,442 -0.023,443 -0.029,445 -0.057,446 -0.021,447 0.932,448 0.038,449 2.606,450 0.484,451 -0.47,452 -0.59,454 -1.187,455 -0.424,456 0.861,457 -0.162,458 2.359,459 0.46,460 -0.493,461 -0.61,463 -1.243,464 -0.469,465 12.086,466 0.465,467 0.644,468 0.025,469 34.75,470 1.337,471 17.5,472 0.673,473 17.25,474 0.663,475 19.974,476 0.768,477 28.114,478 0.625,479 25.92,480 0.997,481 7.022,482 0.27,483 5.592,484 0.215,485 0.093,487 0.364,491 1,493 0.78,494 1.13,495 0.715,496 1.086,497 0.695,498 0.929,499 0.972,500 1.003,501 0.816,502 0.956,503 0.618,504 0.864,505 1.159,506 1.013,507 1,508 0.953,509 0.951,510 0.933,511 1.014,512 0.985,513 1.015,514 1.011,515 0.869,516 1.01,517 0.758,518 0.807,519 0.924,520 0.867,521 0.895,522 0.912,523 0.913,524 0.903,525 1.016,526 1.057,527 0.873,528 1.067,529 0.936,530 0.932,531 1.085,532 1.071,533 0.877,534 1.107,535 0.875,536 1.045,537 1.047,538 1.15,539 0.862,540 1.156,541 5,542 0.078,543 3.111,544 1.563,545 1.702,546 0.944,547 0.49,548 0.472,549 0.278,550 0.141,551 7691,552 22299,553 2.124,554 42.2,555 3,556 15,559 1,564 1.695,565 2,566 3.286,567 -0.332,569 1,573 73.229,574 1.627,575 3.578,576 4.461,577 4.897,578 4.942,579 4.942,580 2.716,581 4.239,582 4.672,583 3.395,584 1103.49,585 8.119,586 13395.8,588 1,590 1,591 247.133,592 1.37,593 4.637,594 0.172,595 0.006,596 0.076,597 0.036,598 0.045,599 0.026,600 0.014,601 0.014,602 0.011,603 0.008,604 0.407,605 0.67,606 1,607 0.54,608 125.42,609 -0.058,610 -0.132,611 0.047,612 -0.057,613 -0.075,614 0.004,615 -0.09,616 -0.034,617 0.054,618 0.017,619 0.021,620 0.062,621 -0.109,622 -0.01,623 -0.059,624 0.002,625 -0.058,626 -0.011,627 -0.067,628 -0.06,629 -0.067,630 -0.057,631 -0.033,632 -0.062,633 0.15,634 0.173,635 0.034,636 0.101,637 0.036,638 0.057,639 -0.119,640 -0.075,641 -0.124,642 -0.072,643 -0.118,644 -0.095,645 -0.056,646 -0.074,647 -0.151,648 -0.098,649 -0.056,650 -0.137,651 0.063,652 -0.123,653 -0.056,654 -0.164,655 0.059,656 -0.153,657 1.974,658 5.334,659 0.846,660 21.065,661 1.014,662 1.127,663 2.975,664 8.852,665 0.67,666 3.401,667 3.738,668 4.025,669 4.304,670 4.585,671 4.644,672 4.804,673 4.934,674 5.063,675 5.094,676 5.79,677 0.651,678 354.41,679 3.401,680 4.949,681 5.808,682 6.693,683 7.571,684 8.461,685 9.347,686 10.241,687 11.131,688 12.026,689 4.4,695 1,699 1,703 2,704 7,705 1,709 6,711 17,726 1,728 1,729 1,730 1,731 45,733 17,734 2,735 29,737 48,738 20,739 15,740 6,741 6,746 4,747 5,752 1,761 15,762 5,778 1,779 1,781 19,782 6,783 1,784 6,790 2,794 0.75,795 3,805 1,812 4,816 1,839 1,840 3,844 1,846 1,848 26,853 1,854 4,856 2,859 1,869 1,870 6.7,872 1,874 1,875 1,877 13,878 8.41,879 5.639,880 2.686,881 3.411,882 1.45,883 0.982,884 4.661,885 10.999,886 3.651,887 4.29,888 4.905,889 5.519,890 6.131,891 6.442,892 6.865,893 7.285,894 7.721,895 7.928,896 0.857,897 43,898 9.645,900 4.183,901 7.859,902 18.235,904 15.051,905 2.359,906 61.333,909 1,910 211.88,911 118.394,912 19.91,914 64.683,915 14.96,917 118.394,918 276.563,919 34.87,920 8.825,921 13.396,922 66.334,923 70.469,924 41.635,925 17.288,926 211.88,928 211.88,929 138.303,930 79.643,933 226.84,934 53.683,935 11,937 24.366,938 97.152,939 16.786,941 226.84,942 84.593,943 118.394,946 211.88,947 43.235,948 78.283,950 96.429,951 211.88,952 99.553,953 118.394,955 0.585,956 0.344,957 0.189,958 0.108,959 21,960 9,961 0.063,962 3,963 1,964 1.091,965 3.752,966 227.734,967 0.091,968 22,969 118.211,974 17.07,975 7.099,976 3.487,977 1.178,978 99.553,979 11.427,980 4.714,984 2.288,986 42.683,987 429.826,988 37.5,999 45.651,1000 50.701,1001 0.296,1002 0.652,1003 0.812,1004 0.892,1005 0.9,1006 0.9,1007 4.892,1008 1.429,1009 5.796,1010 4.277,1011 4.419,1012 4.977,1013 1.593,1014 6.616,1015 4.305,1016 6.106,1017 1.316,1018 7.359,1019 3.563,1020 4.007,1021 4.856,1022 0.325,1023 7.516,1024 3.834,1025 7.422,1026 1.066,1027 9.023,1028 3.127,1029 6.019,1030 7.236,1031 1.294,1032 10.634,1033 5.809,1034 8.776,1035 1,1036 10.746,1037 2.549,1038 6.415,1039 7.945,1040 0.268,1041 12.359,1042 6.152,1043 10.162,1044 0.41,1045 12.506,1046 2.136,1047 7.903,1048 9.817,1049 1.061,1050 14.99,1051 7.607,1052 11.572,1053 -0.023,1054 14.292,1055 1.015,1056 8.682,1057 10.927,1058 0.188,1059 17.065,1060 8.339,1061 13,1062 -0.47,1063 16.097,1064 -0.057,1065 9.952,1066 12.587,1067 0.861,1068 19.523,1069 9.577,1070 3.185,1071 -0.493,1072 17.915,1073 -1.187,1074 10.915,1075 13.899,1076 0.125,1077 21.757,1078 10.497,1079 2.868,1080 10.903,1081 19.745,1082 -1.243,1083 12.096,1084 15.467,1085 0.69,1086 24.154,1087 11.644,1088 2.713,1089 8.997,1090 21.583,1091 4.568,1092 13.147,1093 16.879,1094 0.082,1095 26.461,1096 12.655,1097 2.344,1098 8.716,1099 23.428,1100 3.884,1101 14.294,1102 18.41,1103 0.544,1104 28.84,1105 13.767,1106 2.068,1107 7.255,1108 25.28,1109 3.327,1110 15.388,1111 19.872,1112 0.054,1113 31.184,1114 14.822,1115 1.829,1116 5.783,1117 27.136,1118 3.095,1119 16.524,1120 21.389,1121 0.424,1122 33.559,1123 15.923,1124 1.52,1125 4.675,1126 28.997,1127 2.748,1128 17.641,1129 22.876,1130 0.035,1131 35.921,1132 17.001,1133 7300,1134 12547,1135 19.592,1136 30.165,1137 43.618,1138 44.459,1139 44.666,1140 43.55,1141 43.496,1142 56.557,1143 5.04,1144 125.988,1145 40.885,1146 5.618,1147 5.358,1148 6.512,1149 5.248,1150 5.185,1151 7.568,1152 1.72,1153 18.099,1154 5.059,1155 11.191,1156 1.504,1157 1.533,1158 1.54,1159 1.502,1160 1.5,1161 1.95,1162 0.174,1163 4.344,1164 1.41,1165 4.092,1166 4.113,1167 4.063,1168 4.002,1169 8.201,1170 4.013,1171 3.905,1172 3.929,1173 3.859,1174 3.829,1175 6.47,1176 3.831,1177 3.755,1178 3.807,1179 3.648,1180 3.556,1181 4.991,1182 3.571,1183 3.421,1184 3.452,1185 3.338,1186 3.287,1187 4.71,1188 3.292,1189 3.183,1190 3.264,1191 3.064,1192 3.024,1193 4.608,1194 3.008,1195 3.111,1196 3.206,1197 2.975,1198 2.941,1199 4.356,1200 2.913,1201 3.083,1202 3.108,1203 2.866,1204 2.888,1205 4.1,1206 2.91,1207 2.897,1208 2.938,1209 2.815,1210 2.688,1211 3.868,1212 2.705,1213 0.159,1214 0.116,1215 0.231,1216 0.143,1217 0.11,1218 4.618,1219 0.158,1220 3.358,1221 0.03,1222 6.71,1223 0.376,1224 4.145,1225 0.105,1226 3.185,1227 4.568,1228 0.86,1229 10.903,1230 3.059,1231 2.028,1232 2.011,1233 2.088,1234 2.135,1235 1.246,1236 2.12,1237 1.882,1238 1.86,1239 1.988,1240 1.986,1241 1.154,1242 1.985,1243 1.694,1244 1.639,1245 1.901,1246 1.915,1247 1.097,1248 1.914,1249 1.387,1250 1.354,1251 1.546,1252 1.55,1253 0.825,1254 1.549,1255 1.202,1256 1.124,1257 1.534,1258 1.419,1259 0.613,1260 1.463,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.587,1266 1.429,1267 0.984,1268 0.959,1269 1.131,1270 1.226,1271 0.244,1272 1.187,1273 0.806,1274 0.76,1275 1.068,1276 1.091,1277 0.156,1278 1.072,1279 4.078,1281 5.407,1283 6.944,1285 8.576,1287 10.257,1289 1.785,1291 13.334,1294 10.461,1295 2.705,1297 11.368,1300 2.072,1305 29.312,1306 73.229,1307 161.022,1308 200.727,1309 220.379,1310 222.379,1311 222.379,1312 44.786,1313 7.588,1314 54.82,1315 54.82,1316 24,1317 12.553,1318 4.17,1319 3.248,1320 37.846,1321 88,1322 96,1323 0.208,1324 176.4,1325 305.74,1326 422.176,1327 20228,1328 2.2,1329 18.096,1330 0.696,1331 0.554,1332 17.225,1333 14.406,1334 12.614,1335 0.435,1336 0.293,1337 8.36,1338 12.007,1339 8.189,1340 6.718,1341 12.22,1342 8.511,1343 11.517,1344 0.281,1345 0.153,1346 10.883,1347 6.263,1348 9.779,1349 0.178,1350 0.081,1351 9.459,1352 4.459,1353 8.316,1354 0.114,1355 0.042,1356 7.981,1357 3.074,1358 6.997,1359 0.072,1360 0.022,1361 6.792,1362 2.088,1363 0.319,1364 79.928,1365 0.226,1366 24.737,1367 0.593,1368 140,1369 481.022,1370 157.544,1371 430.247,1372 583.76,1373 404,1374 166,1375 427.907,1376 183.707,1377 422.731,1378 623.99,1379 399,1380 5}
{0 CHEMBL2064328,1 1.459,2 9.926,3 4.08,4 16.645,5 107.794,6 7.147,7 0.4,8 4.029,9 4.14,10 3.57,11 3.566,12 5.07,13 3.544,14 4.588,15 4.757,16 3.93,17 3.953,18 5.591,19 3.917,20 4.839,21 5.035,22 4.012,23 4.107,24 5.822,25 4.045,26 4.9,27 5.109,28 3.988,29 4.117,30 5.888,31 4.033,32 4.895,33 5.099,34 3.999,35 4.141,36 5.88,37 4.058,38 4.942,39 5.148,40 3.916,41 4.139,42 5.993,43 4.039,44 4.894,45 5.129,46 3.815,47 4.068,48 5.871,49 3.952,50 4.762,51 4.997,52 3.679,53 3.977,54 5.641,55 3.847,56 0.016,57 0.706,58 10.98,59 4.898,60 6.997,61 6.356,62 0.215,63 1.165,64 21.17,65 7.981,66 21.05,67 10.636,68 0.319,69 1.449,70 28.169,71 10.101,72 33.787,73 13.65,74 0.482,75 1.468,76 30.649,77 11.306,78 46.237,79 15.287,80 0.352,81 1.478,82 30.082,83 11.492,84 39.459,85 15.441,86 0.45,87 1.539,88 32.002,89 11.578,90 63.718,91 15.425,92 0.445,93 1.438,94 31.086,95 11.346,96 61.474,97 15.556,98 0.179,99 1.321,100 26.277,101 10.12,102 29.903,103 14.214,104 10,105 42,106 0.245,107 0.596,108 0.769,109 0.82,110 0.829,111 0.829,112 3.341,113 0.934,114 -3.86,115 -3.82,116 -3.63,119 43.1,120 2,125 4,127 1,135 1,139 1,142 7,143 3,144 2,157 1,172 9,174 1,175 6,180 4,183 12,186 1,187 3,192 3,195 8,198 2,199 6,202 1,204 3,207 8,211 1,212 6,217 2,220 10,224 5,227 2,229 1,232 9,236 1,237 5,245 9,250 7,258 8,263 6,266 1,271 4,275 1136,276 18.361,277 18.361,278 18.361,279 18.361,280 18.361,281 16.583,282 24.873,283 10.971,284 18.767,285 14.854,286 14.854,287 14.854,288 14.854,289 14.854,290 12.063,291 35.888,292 5.279,293 15.501,294 4.214,295 2.123,296 1.096,297 0.79,298 0.735,299 0.735,300 4.038,303 1,304 1,305 1,306 584,307 2.828,311 294.03,315 112.279,318 1.416,319 23.56,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 268,332 4.567,333 3.663,334 6.809,335 4.212,336 3.237,337 4.227,338 1.138,339 11.251,340 3.165,341 4.055,342 3.232,343 6.153,344 3.752,345 2.81,346 3.466,347 0.86,348 9.078,349 2.679,350 3.911,351 3.153,352 5.953,353 3.58,354 2.618,355 3.355,356 0.657,357 8.268,358 2.486,359 3.707,360 2.704,361 5.381,362 3.384,363 2.387,364 2.947,365 0.643,366 6.993,367 2.364,368 3.481,369 2.464,370 5.02,371 3.144,372 2.156,373 2.771,375 5.957,376 2.13,377 3.089,378 2.365,379 4.868,380 2.753,381 1.793,382 2.203,384 5.098,385 1.718,386 2.964,387 2.206,388 4.507,389 2.683,390 1.763,391 2.032,393 4.551,394 1.598,395 2.842,396 1.665,397 4.012,398 2.417,399 1.427,400 1.892,402 3.262,403 1.408,404 2.5,405 1.551,406 3.577,407 2.085,408 1.172,409 1.5,411 2.824,412 1.065,413 2.393,414 1.256,415 3.499,416 2,417 1,418 1.354,420 2.503,421 1,422 2.201,423 1.245,424 3.247,425 1.952,426 1,427 1.132,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.902,434 0.956,435 1,436 2.136,437 0.892,438 1.55,439 0.804,440 3.015,441 1.126,442 0.156,443 0.196,445 0.417,446 0.149,447 1.038,448 0.108,449 2.754,450 0.75,451 -0.216,452 -0.253,454 -0.519,455 -0.208,456 0.903,457 -0.041,458 2.648,459 0.541,460 -0.449,461 -0.579,463 -1.215,464 -0.437,465 12.8,466 0.474,467 0.644,468 0.024,469 33.5,470 1.241,471 16,472 0.593,473 17.5,474 0.648,475 23.587,476 0.874,477 29.2,478 0.573,479 25.189,480 0.933,481 6.703,482 0.248,483 6.411,484 0.237,485 0.104,487 0.344,493 0.805,494 1.302,495 0.806,496 1.128,497 0.638,498 0.988,499 1.105,500 1.085,501 0.901,502 0.953,503 0.687,504 0.898,505 1.197,506 1.047,507 1.031,508 0.993,509 0.952,510 0.977,511 1.022,512 1.004,513 0.97,514 0.991,515 0.938,516 0.979,517 1.029,518 1.106,519 0.974,520 1.056,521 0.949,522 1.019,523 1.339,524 1.029,525 1.221,526 1.076,527 2.009,528 1.124,529 1.053,530 0.927,531 1.029,532 0.94,533 1.56,534 0.976,535 0.734,536 1.144,537 1.059,538 1.167,539 0.559,540 1.155,541 5,542 0.033,543 2.667,544 1.625,545 1.951,546 1.146,547 0.63,548 0.427,549 0.308,550 0.147,551 8420,552 20084,553 2.12,554 47.1,555 3,556 17,559 1,561 3,564 1.707,565 2,566 3.287,567 -0.382,569 1,573 74.392,574 1.459,575 3.55,576 4.576,577 4.883,578 4.937,579 4.937,580 2.713,581 4.385,582 4.724,583 3.406,584 1195.62,585 8.235,586 14906.2,588 1,590 1,591 289.294,592 1.352,593 4.694,594 0.167,595 0.003,596 0.063,597 0.037,598 0.046,599 0.027,600 0.017,601 0.012,602 0.01,603 0.007,604 0.389,605 0.5,606 1,607 0.528,608 131.681,609 -0.014,610 -0.142,611 0.068,612 -0.063,613 -0.048,614 0.003,615 -0.038,616 0.015,617 0.052,618 0.043,619 0.026,620 0.058,621 -0.088,622 0.019,623 -0.056,624 -0.022,625 -0.054,626 -0.029,627 0.101,628 -0.011,629 0.017,630 -0.006,631 0.062,632 -0.01,633 0.021,634 -0.115,635 -0.004,636 -0.055,637 0.03,638 -0.038,639 -0.142,640 -0.02,641 -0.231,642 -0.104,643 -0.23,644 -0.171,645 -0.024,646 0.038,647 -0.041,648 0.04,649 -0.085,650 0.004,651 -0.034,652 -0.137,653 -0.118,654 -0.176,655 0.038,656 -0.159,657 1.672,658 5.789,659 0.815,660 23.786,661 0.998,662 1.121,663 2.631,664 6.922,665 0.662,666 3.434,667 3.761,668 4.043,669 4.344,670 4.635,671 4.682,672 4.868,673 4.977,674 5.069,675 5.088,676 5.861,677 0.627,678 364.48,679 3.434,680 4.977,681 5.832,682 6.718,683 7.595,684 8.489,685 9.378,686 10.276,687 11.172,688 12.073,689 3.9,692 1,694 1,704 7,709 5,711 12,716 1,724 1,729 1,731 51,733 14,734 2,735 30,737 54,738 22,739 12,740 5,741 7,742 3,746 4,747 5,752 2,758 1,761 15,762 7,766 2,771 1,773 1,775 2,778 1,781 24,782 5,783 1,784 5,790 2,794 0.75,795 3,812 4,816 1,831 1,836 1,839 1,840 3,844 2,848 27,854 4,855 1,856 2,858 1,859 1,870 5.9,873 1,874 1,875 1,877 13.5,878 9.7,879 5.889,880 3.153,881 2.585,882 1.342,883 0.985,884 5.19,885 10.153,886 3.664,887 4.22,888 4.762,889 5.31,890 5.85,891 6.024,892 6.388,893 6.678,894 7.007,895 7.217,896 0.857,897 44,898 10.03,900 4.278,901 7.63,902 19.412,904 16.08,905 2.13,906 57.5,908 1,909 1,910 270.735,911 134.362,912 21.135,914 47.145,917 134.362,918 317.88,919 21.135,920 17.65,921 13.396,922 75.81,923 59.289,924 36.496,926 270.735,928 270.735,929 155.497,930 47.145,933 235.422,934 71.458,935 11,937 34.171,938 93.839,939 27.487,941 270.735,942 68.28,943 134.362,946 270.735,947 40.901,948 96.585,949 18.011,950 47.145,951 270.735,952 68.28,953 134.362,955 0.58,956 0.338,957 0.192,958 0.114,959 21,960 9,961 0.074,962 4,963 1,964 1.091,965 3.828,966 239.837,967 0.091,968 22,969 120.382,974 18.083,975 7.749,976 3.871,978 68.28,979 14.053,984 4.354,986 18.011,987 473.377,988 38,993 12.789,995 1.603,997 0.613,999 50.905,1000 57.192,1001 0.257,1002 0.626,1003 0.807,1004 0.861,1005 0.87,1006 0.87,1007 4.913,1008 1.427,1009 5.814,1010 4.551,1011 4.443,1012 4.905,1013 1.867,1014 6.632,1015 4.368,1016 6.099,1017 1.172,1018 7.372,1019 3.262,1020 4.007,1021 4.649,1022 0.325,1023 7.526,1024 3.922,1025 7.397,1026 1,1027 9.033,1028 2.824,1029 6.033,1030 7.019,1031 1.743,1032 10.669,1033 5.895,1034 8.728,1035 1,1036 10.754,1037 2.503,1038 6.415,1039 7.571,1040 0.424,1041 12.411,1042 6.268,1043 10.093,1044 0.956,1045 12.517,1046 2.136,1047 7.915,1048 9.433,1049 1.761,1050 15.073,1051 7.723,1052 11.482,1053 0.156,1054 14.307,1055 2.136,1056 8.691,1057 10.386,1058 0.581,1059 17.183,1060 8.487,1061 12.89,1062 -0.216,1063 16.118,1064 0.417,1065 9.972,1066 12.022,1067 1.854,1068 19.676,1069 9.733,1070 3.237,1071 -0.449,1072 17.945,1073 -0.519,1074 10.945,1075 13.192,1076 0.788,1077 21.952,1078 10.689,1079 2.81,1080 11.251,1081 19.785,1082 -1.215,1083 12.138,1084 14.722,1085 1.99,1086 24.386,1087 11.855,1088 2.618,1089 9.078,1090 21.636,1091 4.227,1092 13.206,1093 16.012,1094 1.027,1095 26.737,1096 12.905,1097 2.387,1098 8.268,1099 23.495,1100 3.466,1101 14.369,1102 17.491,1103 2.155,1104 29.154,1105 14.045,1106 2.156,1107 6.993,1108 25.361,1109 3.355,1110 15.483,1111 18.848,1112 1.284,1113 31.539,1114 15.142,1115 1.793,1116 5.957,1117 27.233,1118 2.947,1119 16.639,1120 20.303,1121 2.338,1122 33.952,1123 16.277,1124 1.763,1125 5.098,1126 29.111,1127 2.771,1128 17.777,1129 21.696,1130 1.553,1131 36.354,1132 17.396,1133 7986,1134 12457,1135 20.285,1136 33.75,1137 45.587,1138 46.641,1139 45.779,1140 44.934,1141 44.95,1142 56.15,1143 6.596,1144 128.946,1145 43.202,1146 5.567,1147 5.663,1148 6.611,1149 5.319,1150 5.237,1151 7.227,1152 2.22,1153 18.629,1154 5.165,1155 11.014,1156 1.52,1157 1.555,1158 1.526,1159 1.498,1160 1.498,1161 1.872,1162 0.22,1163 4.298,1164 1.44,1165 4.046,1166 4.065,1167 4.006,1168 3.962,1169 7.428,1170 3.969,1171 3.884,1172 3.917,1173 3.816,1174 3.812,1175 4.875,1176 3.808,1177 3.776,1178 3.827,1179 3.676,1180 3.586,1181 4.764,1182 3.602,1183 3.517,1184 3.56,1185 3.423,1186 3.358,1187 4.614,1188 3.366,1189 3.428,1190 3.483,1191 3.287,1192 3.279,1193 4.403,1194 3.273,1195 3.111,1196 3.206,1197 2.888,1198 2.941,1199 4.164,1200 2.91,1201 3.008,1202 3.087,1203 2.866,1204 2.844,1205 3.805,1206 2.831,1207 2.94,1208 3.001,1209 2.836,1210 2.75,1211 3.68,1212 2.753,1213 0.152,1214 0.122,1215 0.227,1216 0.14,1217 0.108,1218 4.567,1219 0.141,1220 3.663,1221 0.038,1222 6.809,1223 0.375,1224 4.212,1225 0.106,1226 3.237,1227 4.227,1228 1.138,1229 11.251,1230 3.165,1231 1.987,1232 1.971,1233 2.077,1234 2.092,1235 1.268,1236 2.085,1237 1.879,1238 1.849,1239 2,1240 1.987,1241 1.196,1242 1.991,1243 1.716,1244 1.664,1245 1.918,1246 1.928,1247 1.063,1248 1.931,1249 1.486,1250 1.438,1251 1.744,1252 1.678,1253 0.891,1254 1.698,1255 1.415,1256 1.366,1257 1.615,1258 1.607,1259 0.825,1260 1.614,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.69,1266 1.429,1267 1.021,1268 0.944,1269 1.346,1270 1.245,1271 0.449,1272 1.284,1273 0.906,1274 0.831,1275 1.192,1276 1.158,1277 0.267,1278 1.178,1279 4.111,1281 5.434,1283 6.963,1285 8.589,1287 10.269,1289 4.093,1295 2.754,1296 3.5,1297 11.669,1299 -0.002,1300 2.073,1305 31.982,1306 74.392,1307 181.039,1308 233.378,1309 249.029,1310 251.784,1311 251.784,1312 43.048,1313 7.567,1314 54.71,1315 54.71,1316 24,1317 12.596,1318 3.907,1319 3.17,1320 39.928,1321 92,1322 101,1323 0.209,1324 194.387,1325 345.17,1326 466.063,1327 19450,1329 18.803,1330 0.696,1331 0.581,1332 18.803,1333 15.697,1334 13.114,1335 0.437,1336 0.311,1337 9.216,1338 12.623,1339 8.952,1340 7.403,1341 13.114,1342 9.343,1343 11.892,1344 0.283,1345 0.167,1346 11.892,1347 7.011,1348 9.907,1349 0.177,1350 0.088,1351 9.907,1352 4.935,1353 8.563,1354 0.113,1355 0.047,1356 8.563,1357 3.545,1358 7.442,1359 0.073,1360 0.025,1361 7.442,1362 2.54,1363 0.319,1364 82.062,1365 0.222,1366 25.54,1367 0.602,1368 144,1369 401.185,1370 157.769,1371 381.27,1372 527.1,1373 360,1374 170,1375 390.334,1376 184.574,1377 393.175,1378 579.83,1379 371,1380 5}
{0 CHEMBL2064329,1 1.645,2 9.391,3 1.31,4 1.716,5 84.699,6 7.784,7 0.385,8 3.83,9 3.952,10 3.443,11 3.311,12 4.918,13 3.326,14 4.381,15 4.551,16 3.804,17 3.694,18 5.481,19 3.689,20 4.595,21 4.818,22 3.744,23 3.775,24 5.608,25 3.734,26 4.532,27 4.771,28 3.651,29 3.72,30 5.548,31 3.635,32 4.456,33 4.692,34 3.57,35 3.597,36 5.476,37 3.544,38 4.405,39 4.616,40 3.559,41 3.542,42 5.543,43 3.493,44 4.36,45 4.598,46 3.445,47 3.406,48 5.495,49 3.368,50 4.179,51 4.434,52 3.211,53 3.296,54 5.152,55 3.234,56 0.065,57 0.65,58 7.775,59 3.164,60 5.281,61 4.187,62 0.324,63 1.027,64 15.698,65 5.356,66 22.71,67 7.236,68 0.484,69 1.168,70 21.701,71 5.953,72 35.693,73 8.65,74 0.414,75 1.09,76 20.274,77 6.905,78 33.777,79 10.059,80 0.355,81 0.975,82 19.19,83 5.601,84 32.736,85 8.276,86 0.403,87 0.901,88 17.975,89 5.777,90 43.418,91 7.994,92 0.493,93 0.825,94 18.365,95 4.789,96 49.306,97 7.02,98 0.298,99 0.706,100 15.271,101 4.252,102 25.39,103 6.264,104 2,105 36,106 0.29,107 0.679,108 0.797,109 0.832,110 0.841,111 0.841,112 3.189,113 0.882,114 -3.19,115 -3.18,116 -3.06,119 40,121 1,125 4,135 1,139 1,142 4,146 1,152 1,158 2,161 1,172 3,174 1,175 6,178 3,180 4,183 2,186 1,187 2,192 2,195 1,198 3,199 3,202 3,203 1,204 1,207 3,211 1,212 1,220 2,223 2,224 3,227 2,229 3,236 1,237 3,240 1,242 2,250 4,258 2,262 1,263 4,266 1,271 2,275 708,276 15.894,277 15.894,278 15.894,279 15.894,280 15.894,281 14.212,282 17.74,283 9.58,284 16.365,285 12.926,286 12.926,287 12.926,288 12.926,289 12.926,290 10.266,291 22.177,292 4.65,293 13.682,294 3.677,295 1.471,296 0.8,297 0.6,298 0.55,299 0.55,300 3.892,303 1,304 1,305 1,306 482,307 2.121,310 45.504,311 201.261,314 90.147,318 1.452,319 22,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.5,331 216,332 4.465,333 3.581,334 6.252,335 3.962,336 3.011,337 4.403,338 1.528,339 9.52,340 2.865,341 4.251,342 3.165,343 6.197,344 3.862,345 2.921,346 3.631,347 1.005,348 9.302,349 2.751,350 3.687,351 3.071,352 5.525,353 3.423,354 2.481,355 2.936,356 0.864,357 7.442,358 2.328,359 3.487,360 2.825,361 5.082,362 3.141,363 2.151,364 2.635,365 0.86,366 6.141,367 2.119,368 3.275,369 2.328,370 4.674,371 2.752,372 1.788,373 2.48,374 0.367,375 5.032,376 1.71,377 3.032,378 2.13,379 4.414,380 2.616,381 1.709,382 2.298,383 0.052,384 4.312,385 1.544,386 2.898,387 1.536,388 4.342,389 2.495,390 1.532,391 1.984,393 4.211,394 1.474,395 2.822,396 1.532,397 3.603,398 2.335,399 1.35,400 1.867,402 2.945,403 1.327,404 2.213,405 1.386,406 3.49,407 1.952,408 1.068,409 1.154,411 2.607,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.847,423 0.721,424 3,425 1.295,426 0.347,427 0.521,428 0.86,429 0.328,430 1.311,431 0.347,432 2.952,433 0.898,434 -0.061,435 -0.071,436 -0.183,437 -0.059,438 1.05,439 0.334,440 2.559,441 0.624,442 -0.389,443 -0.5,445 -0.998,446 -0.378,447 0.674,448 -0.207,449 2.284,450 0.401,451 -0.557,452 -0.685,454 -1.365,455 -0.541,456 0.598,457 -0.36,458 2,459 0.19,460 -0.787,461 -0.972,463 -1.939,464 -0.764,465 10.667,466 0.464,467 0.482,468 0.021,469 29,470 1.261,471 12.5,472 0.543,473 16.5,474 0.717,475 16.848,476 0.733,477 24.733,478 0.618,479 19.777,480 0.86,481 5.974,482 0.26,483 5.302,484 0.231,485 0.031,487 0.319,493 0.861,494 1.52,495 0.73,496 1.154,497 0.598,498 0.945,499 1.025,500 1.208,501 0.899,502 1.033,503 0.632,504 0.963,505 1.305,506 1.004,507 1.142,508 0.848,509 1.082,510 0.928,511 0.493,512 0.925,513 0.923,514 1.077,515 0.622,516 1.081,517 1.038,518 1.062,519 0.995,520 0.973,521 1.203,522 0.961,523 1.095,524 1.085,525 1.014,526 1.112,527 1.574,528 1.074,529 1.294,530 0.964,531 1.015,532 0.831,533 1.76,534 0.857,535 1.208,536 0.799,537 0.992,538 0.743,539 0.849,540 0.796,541 4.5,542 0.019,543 1.556,544 1.667,545 0.787,546 0.719,547 0.299,548 0.251,549 0.169,550 0.107,551 6137,552 16286,553 2.196,554 42.5,556 13,559 2,560 2,564 1.657,565 2.123,566 3.251,567 0.364,568 1,569 1,571 1,573 65.781,574 1.645,575 3.851,576 4.522,577 4.722,578 4.772,579 4.772,580 2.703,581 3.915,582 4.498,583 3.375,584 853.947,585 7.74,586 9682.74,587 1,588 1,591 212.877,592 1.121,593 4.483,594 0.173,595 0.002,596 0.043,597 0.051,598 0.027,599 0.027,600 0.011,601 0.011,602 0.009,603 0.007,604 0.36,605 0.5,606 1,607 0.393,608 107.45,609 -0.087,610 -0.302,611 0.063,612 -0.111,613 -0.036,614 -0.011,615 -0.003,616 -0.092,617 -0.003,618 -0.056,619 0.057,620 -0.045,621 -0.256,622 0.041,623 -0.174,624 0.073,625 -0.167,626 -0.011,627 0.24,628 0.081,629 0.023,630 -0.098,631 0.129,632 -0.091,633 -0.085,634 -0.073,635 -0.014,636 -0.027,637 -0.109,638 -0.002,639 0.055,640 -0.123,641 -0.028,642 -0.139,643 -0.001,644 -0.116,645 -0.016,646 -0.03,647 0.03,648 0.083,649 -0.072,650 0.075,651 -0.203,652 0.148,653 0.025,654 0.197,655 -0.036,656 0.174,657 1.812,658 4.932,659 0.913,660 17.493,661 1.012,662 1.135,663 1.963,664 3.853,665 0.663,666 3.296,667 3.611,668 3.871,669 4.174,670 4.369,671 4.394,672 4.522,673 4.644,674 4.673,675 4.745,676 5.691,677 0.642,678 311.38,679 3.296,680 4.828,681 5.673,682 6.55,683 7.409,684 8.29,685 9.156,686 10.038,687 10.906,688 11.789,689 12.5,692 1,696 1,697 1,698 1,699 1,703 2,704 4,705 1,706 1,709 1,711 10,731 40,733 13,734 1,735 26,737 43,738 16,739 7,740 2,741 4,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 17,782 6,783 2,784 7,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,848 23,854 5,855 1,856 1,859 1,870 5,873 1,874 1,877 10.833,878 7.1,879 4.972,880 2.388,881 2.691,882 1.37,883 1.025,884 3.854,885 9.962,886 3.555,887 4.131,888 4.69,889 5.3,890 5.744,891 6.015,892 6.375,893 6.773,894 6.836,895 7.201,896 1,897 33,898 8.504,900 3.659,901 7.717,902 16.305,904 13.506,905 2.217,906 51,910 176.567,911 79.289,912 71.492,914 36.145,917 79.289,918 212.711,919 71.492,921 33.941,922 47.381,923 62.291,924 41.167,925 2.144,926 176.567,928 176.567,929 150.78,930 36.145,933 176.567,934 25.145,935 11,937 75.109,938 49.41,939 26.262,941 176.567,942 107.636,943 79.289,946 176.567,947 31.907,948 50.506,949 34.796,950 69.716,951 176.567,952 107.636,953 79.289,955 0.576,956 0.329,957 0.19,958 0.104,959 19,960 7,961 0.07,962 3,963 1,964 1.095,965 3.657,966 187.156,967 0.095,968 21,969 100.042,974 14.425,975 6.144,976 3.137,977 1.892,978 90.851,979 7.845,980 4.529,981 3.256,984 0.786,986 34.796,987 363.492,988 34,993 11.932,995 1.535,996 4.578,997 1.161,999 40.465,1000 45.402,1001 0.309,1002 0.724,1003 0.85,1004 0.887,1005 0.897,1006 0.897,1007 4.792,1008 1.35,1009 5.638,1010 4.211,1011 4.29,1012 4.816,1013 2.316,1014 6.415,1015 4.184,1016 5.981,1017 1.068,1018 7.163,1019 2.945,1020 3.761,1021 4.575,1022 1.048,1023 7.168,1024 3.617,1025 7.279,1026 1,1027 8.783,1028 2.607,1029 5.844,1030 6.989,1031 2.547,1032 10.279,1033 5.632,1034 8.61,1035 0.347,1036 10.46,1037 2.136,1038 6.133,1039 7.612,1040 1.926,1041 11.871,1042 5.874,1043 9.975,1044 -0.061,1045 12.174,1046 0.86,1047 7.667,1048 9.491,1049 3.017,1050 14.454,1051 7.349,1052 11.362,1053 -0.389,1054 13.914,1055 -0.183,1056 8.363,1057 10.551,1058 2.824,1059 16.409,1060 7.991,1061 12.768,1062 -0.557,1063 15.672,1064 -0.998,1065 9.649,1066 12.198,1067 3.646,1068 18.787,1069 9.223,1070 3.011,1071 -0.787,1072 17.444,1073 -1.365,1074 10.547,1075 13.477,1076 3.721,1077 20.903,1078 10.065,1079 2.921,1080 9.52,1081 19.227,1082 -1.939,1083 11.72,1084 15.022,1085 4.375,1086 23.199,1087 11.186,1088 2.481,1089 9.302,1090 21.018,1091 4.403,1092 12.718,1093 16.406,1094 4.604,1095 25.385,1096 12.128,1097 2.151,1098 7.442,1099 22.815,1100 3.631,1101 13.841,1102 17.909,1103 5.16,1104 27.648,1105 13.2,1106 1.788,1107 6.141,1108 24.618,1109 2.936,1110 14.885,1111 19.342,1112 5.476,1113 29.866,1114 14.189,1115 1.709,1116 5.032,1117 26.425,1118 2.635,1119 15.987,1120 20.828,1121 5.975,1122 32.116,1123 15.24,1124 1.532,1125 4.312,1126 28.236,1127 2.48,1128 17.055,1129 22.284,1130 6.339,1131 34.347,1132 16.254,1133 5691,1134 9386,1135 18.087,1136 26.506,1137 39.193,1138 39.651,1139 39.096,1140 38.663,1141 38.716,1142 49.819,1143 9.351,1144 109.016,1145 36.653,1146 5.465,1147 5.581,1148 6.054,1149 5.065,1150 5.011,1151 7.403,1152 2.695,1153 15.865,1154 4.865,1155 5.842,1156 1.507,1157 1.525,1158 1.504,1159 1.487,1160 1.489,1161 1.916,1162 0.36,1163 4.193,1164 1.41,1165 4.107,1166 4.152,1167 4.069,1168 3.982,1169 7.43,1170 3.997,1171 3.887,1172 3.937,1173 3.834,1174 3.697,1175 5.066,1176 3.724,1177 3.663,1178 3.714,1179 3.557,1180 3.454,1181 4.75,1182 3.469,1183 3.431,1184 3.482,1185 3.34,1186 3.273,1187 4.577,1188 3.285,1189 3.111,1190 3.206,1191 2.968,1192 2.941,1193 4.331,1194 2.91,1195 3.059,1196 3.12,1197 2.87,1198 2.889,1199 3.893,1200 2.896,1201 2.944,1202 2.992,1203 2.866,1204 2.775,1205 3.852,1206 2.769,1207 2.908,1208 2.974,1209 2.79,1210 2.594,1211 3.483,1212 2.659,1213 0.172,1214 0.138,1215 0.24,1216 0.152,1217 0.116,1218 4.465,1219 0.169,1220 3.581,1221 0.059,1222 6.252,1223 0.366,1224 3.962,1225 0.11,1226 3.011,1227 4.403,1228 1.528,1229 9.52,1230 2.865,1231 1.91,1232 1.881,1233 2.011,1234 2.031,1235 1.209,1236 2.015,1237 1.807,1238 1.759,1239 1.95,1240 2.005,1241 1.1,1242 2,1243 1.626,1244 1.569,1245 1.802,1246 1.864,1247 0.98,1248 1.849,1249 1.427,1250 1.378,1251 1.568,1252 1.668,1253 0.825,1254 1.638,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.635,1260 1.429,1261 1.004,1262 0.939,1263 1.239,1264 1.234,1265 0.309,1266 1.241,1267 0.931,1268 0.877,1269 1.126,1270 1.155,1271 0.207,1272 1.129,1273 0.777,1274 0.72,1275 1.07,1276 1.11,1277 0.187,1278 1.106,1279 3.97,1281 5.283,1282 2.398,1283 6.788,1284 4.727,1285 8.378,1286 6.823,1287 10.01,1295 3.282,1296 2.795,1297 5.341,1300 2.07,1305 25.697,1306 65.781,1307 154.048,1308 180.877,1309 188.877,1310 190.877,1311 190.877,1312 29.353,1313 7.27,1314 86.9,1315 86.9,1316 23,1317 12.326,1318 3.807,1319 3.17,1320 31.875,1321 78,1322 70,1323 0.198,1324 156.147,1325 268.22,1326 372.757,1327 14066,1329 15.648,1330 0.68,1331 0.547,1332 15.648,1333 12.58,1334 11.276,1335 0.434,1336 0.294,1337 7.499,1338 10.711,1339 7.4,1340 6.045,1341 11.276,1342 7.644,1343 10.214,1344 0.284,1345 0.154,1346 10.214,1347 5.527,1348 8.399,1349 0.179,1350 0.083,1351 8.399,1352 3.886,1353 7.507,1354 0.117,1355 0.043,1356 7.507,1357 2.78,1358 5.964,1359 0.076,1360 0.024,1361 5.964,1362 1.841,1363 0.309,1364 71.441,1365 0.235,1366 22.564,1367 0.548,1368 124,1369 379.072,1370 139.889,1371 360.189,1372 496.01,1373 340,1374 145,1375 367.23,1376 160.615,1377 366.902,1378 538.95,1379 347,1380 5}
{0 CHEMBL2064330,1 1.617,2 9.417,3 1.516,4 2.298,5 89.596,6 7.568,7 0.37,8 3.891,9 4.015,10 3.485,11 3.366,12 4.96,13 3.374,14 4.454,15 4.638,16 3.85,17 3.752,18 5.515,19 3.745,20 4.653,21 4.868,22 3.841,23 3.874,24 5.658,25 3.833,26 4.655,27 4.884,28 3.75,29 3.87,30 5.653,31 3.776,32 4.633,33 4.881,34 3.677,35 3.763,36 5.605,37 3.685,38 4.572,39 4.803,40 3.638,41 3.681,42 5.648,43 3.615,44 4.493,45 4.741,46 3.558,47 3.543,48 5.593,49 3.492,50 4.322,51 4.567,52 3.317,53 3.429,54 5.329,55 3.367,56 0.043,57 0.689,58 8.73,59 3.466,60 4.696,61 4.743,62 0.346,63 1.094,64 17.876,65 5.65,66 23.511,67 7.958,68 0.445,69 1.261,70 22.978,71 6.537,72 31.719,73 9.629,74 0.418,75 1.25,76 22.755,77 7.875,78 33.575,79 11.47,80 0.345,81 1.146,82 23.454,83 7.145,84 33.926,85 10.8,86 0.459,87 1.055,88 22.079,89 6.609,90 45.896,91 9.565,92 0.47,93 0.937,94 21.19,95 5.778,96 47.318,97 8.697,98 0.364,99 0.806,100 17.71,101 4.743,102 34.499,103 6.938,104 5,105 38,106 0.281,107 0.653,108 0.794,109 0.827,110 0.835,111 0.835,112 3.229,113 0.893,114 -3.44,115 -3.42,116 -3.27,119 39.5,121 1,124 1,125 4,135 1,139 1,142 4,146 1,152 1,158 2,161 1,172 3,174 2,175 8,178 2,180 2,183 2,186 1,187 4,195 1,198 4,199 4,202 3,207 3,211 1,212 1,220 2,223 4,224 4,229 2,236 1,237 3,240 1,242 2,250 4,258 2,262 2,263 4,271 2,275 776,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 14.692,282 19.071,283 9.787,284 16.959,285 13.377,286 13.377,287 13.377,288 13.377,289 13.377,290 10.633,291 23.091,292 4.707,293 14.193,294 3.809,295 1.668,296 0.855,297 0.669,298 0.622,299 0.622,300 3.929,303 1,304 1,305 1,306 501,307 2.236,310 47.752,311 208.842,314 94.411,318 1.417,319 21.264,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 226,332 4.613,333 3.585,334 6.686,335 4.117,336 3.174,337 4.563,338 1.528,339 10.756,340 2.995,341 4.253,342 3.283,343 6.201,344 3.874,345 2.936,346 3.631,347 1.005,348 9.323,349 2.757,350 3.706,351 3.12,352 5.626,353 3.424,354 2.481,355 3.044,356 0.864,357 7.552,358 2.331,359 3.528,360 2.859,361 5.332,362 3.178,363 2.197,364 2.685,365 0.86,366 6.571,367 2.148,368 3.36,369 2.335,370 4.868,371 2.866,372 1.894,373 2.55,374 0.367,375 5.391,376 1.825,377 3.134,378 2.2,379 4.682,380 2.646,381 1.729,382 2.407,383 0.052,384 4.866,385 1.588,386 2.899,387 1.782,388 4.344,389 2.589,390 1.648,391 1.986,393 4.215,394 1.536,395 2.823,396 1.536,397 3.631,398 2.335,399 1.35,400 1.87,402 2.966,403 1.327,404 2.215,405 1.389,406 3.493,407 1.952,408 1.07,409 1.156,411 2.608,412 0.946,413 2.162,414 1.256,415 3.443,416 1.951,417 1,418 1.034,420 2.136,421 0.935,422 2,423 0.924,424 3.247,425 1.73,426 0.77,427 1,428 1.869,429 0.737,430 1.365,431 0.718,432 2.969,433 0.986,434 0.029,435 0.035,436 0.082,437 0.028,438 1.139,439 0.338,440 2.562,441 0.633,442 -0.383,443 -0.496,445 -0.98,446 -0.375,447 0.744,448 -0.202,449 2.382,450 0.47,451 -0.471,452 -0.56,454 -1.212,455 -0.444,456 0.653,457 -0.272,458 2.198,459 0.323,460 -0.641,461 -0.78,463 -1.502,464 -0.621,465 11.167,466 0.465,467 0.554,468 0.023,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 18.672,476 0.778,477 26.033,478 0.605,479 21.234,480 0.885,481 6.126,482 0.255,483 5.578,484 0.232,485 0.075,487 0.34,493 0.833,494 1.623,495 0.742,496 1.232,497 0.592,498 1.005,499 1.086,500 1.109,501 0.878,502 0.908,503 0.632,504 0.863,505 1.284,506 1.043,507 1.101,508 0.865,509 1.054,510 0.922,511 0.546,512 0.987,513 1.032,514 1.155,515 0.658,516 1.174,517 0.892,518 1.115,519 0.939,520 1.03,521 1.053,522 0.991,523 1.132,524 0.999,525 1.057,526 1.024,527 1.543,528 1.03,529 1.143,530 0.997,531 0.911,532 0.869,533 1.544,534 0.847,535 1.542,536 0.77,537 1.144,538 0.726,539 1.487,540 0.83,541 4.5,542 0.031,543 2.222,544 2.139,545 0.987,546 0.782,547 0.362,548 0.341,549 0.218,550 0.126,551 6616,552 17075,553 2.161,554 44.2,556 16,559 1,560 2,564 1.67,565 2.057,566 3.245,567 -0.26,568 1,569 1,571 1,573 69.522,574 1.617,575 3.758,576 4.571,577 4.758,578 4.804,579 4.804,580 2.69,581 4.335,582 4.56,583 3.371,584 930.515,585 7.872,586 10800.3,588 1,590 1,591 233.329,592 1.281,593 4.532,594 0.167,595 0.003,596 0.058,597 0.058,598 0.031,599 0.026,600 0.013,601 0.013,602 0.01,603 0.007,604 0.386,605 0.5,606 1,607 0.49,608 113.327,609 -0.051,610 -0.392,611 0.078,612 -0.167,613 -0.029,614 -0.044,615 -0.016,616 0.017,617 0.052,618 0.059,619 0.061,620 0.06,621 -0.233,622 0.033,623 -0.144,624 0.075,625 -0.142,626 0.001,627 0.18,628 0.061,629 -0.107,630 -0.168,631 0.073,632 -0.193,633 -0.015,634 -0.145,635 0.038,636 -0.063,637 -0.051,638 -0.009,639 0.007,640 -0.023,641 -0.06,642 -0.075,643 -0.061,644 -0.082,645 0.064,646 -0.07,647 0.123,648 0.06,649 0.043,650 0.103,651 -0.329,652 0.199,653 -0.123,654 0.196,655 -0.185,656 0.102,657 1.805,658 5.02,659 0.875,660 18.278,661 1.008,662 1.135,663 2.206,664 4.867,665 0.657,666 3.332,667 3.664,668 3.951,669 4.248,670 4.454,671 4.477,672 4.615,673 4.727,674 4.771,675 4.82,676 5.702,677 0.633,678 325.41,679 3.332,680 4.875,681 5.733,682 6.619,683 7.493,684 8.384,685 9.264,686 10.157,687 11.041,688 11.935,689 11.6,692 1,696 1,697 1,698 1,699 1,703 2,704 4,705 1,709 1,710 1,711 10,731 43,733 13,734 1,735 27,737 46,738 17,739 7,740 2,741 4,742 4,746 4,747 5,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 19,782 6,783 1,784 7,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 1,856 1,859 1,870 4.7,873 1,874 1,877 11.667,878 8.05,879 5.194,880 2.562,881 2.724,882 1.37,883 1.01,884 4.085,885 10.086,886 3.584,887 4.178,888 4.763,889 5.372,890 5.835,891 6.108,892 6.479,893 6.862,894 6.959,895 7.261,896 1,897 37,898 8.88,900 3.798,901 7.688,902 17.087,904 14.121,905 2.188,906 52.5,910 211.88,911 87.685,912 56.605,914 36.145,917 87.685,918 248.025,919 56.605,920 8.396,921 33.941,922 47.381,923 62.291,924 26.281,925 2.144,926 211.88,928 211.88,929 144.29,930 36.145,933 211.88,934 25.145,935 11,937 60.222,938 57.806,939 26.262,941 211.88,942 92.75,943 87.685,946 211.88,947 31.907,948 60.801,949 18.011,950 69.716,951 211.88,952 92.75,953 87.685,955 0.581,956 0.341,957 0.195,958 0.106,959 20,960 8,961 0.065,962 3,963 1,964 1.095,965 3.672,966 201.191,967 0.095,968 21,969 106.039,974 15.364,975 6.381,976 3.106,977 2.015,978 90.851,979 7.983,980 4.647,984 0.874,985 2.038,986 18.011,987 392.315,988 35,993 12.02,995 1.545,996 4.625,997 1.193,999 43.349,1000 48.817,1001 0.298,1002 0.693,1003 0.842,1004 0.877,1005 0.885,1006 0.885,1007 4.832,1008 1.35,1009 5.714,1010 4.215,1011 4.344,1012 4.864,1013 2.316,1014 6.526,1015 4.232,1016 6.035,1017 1.07,1018 7.268,1019 2.966,1020 3.892,1021 4.705,1022 1.048,1023 7.387,1024 3.728,1025 7.348,1026 1,1027 8.921,1028 2.608,1029 5.932,1030 7.072,1031 2.547,1032 10.519,1033 5.707,1034 8.696,1035 0.77,1036 10.635,1037 2.136,1038 6.312,1039 7.787,1040 1.926,1041 12.233,1042 6.023,1043 10.08,1044 0.029,1045 12.388,1046 1.869,1047 7.817,1048 9.638,1049 3.017,1050 14.864,1051 7.473,1052 11.489,1053 -0.383,1054 14.168,1055 0.082,1056 8.598,1057 10.782,1058 2.824,1059 16.943,1060 8.186,1061 12.918,1062 -0.471,1063 15.968,1064 -0.98,1065 9.878,1066 12.424,1067 3.646,1068 19.394,1069 9.413,1070 3.174,1071 -0.641,1072 17.784,1073 -1.212,1074 10.851,1075 13.772,1076 3.721,1077 21.632,1078 10.317,1079 2.936,1080 10.756,1081 19.611,1082 -1.502,1083 12.039,1084 15.332,1085 4.375,1086 24.02,1087 11.45,1088 2.481,1089 9.323,1090 21.449,1091 4.563,1092 13.1,1093 16.773,1094 4.604,1095 26.326,1096 12.446,1097 2.197,1098 7.552,1099 23.295,1100 3.631,1101 14.252,1102 18.301,1103 5.16,1104 28.694,1105 13.543,1106 1.894,1107 6.571,1108 25.148,1109 3.044,1110 15.354,1111 19.783,1112 5.476,1113 31.03,1114 14.582,1115 1.729,1116 5.391,1117 27.007,1118 2.685,1119 16.494,1120 21.302,1121 5.975,1122 33.394,1123 15.666,1124 1.648,1125 4.866,1126 28.87,1127 2.55,1128 17.615,1129 22.802,1130 6.339,1131 35.745,1132 16.726,1133 6185,1134 10055,1135 18.493,1136 28.267,1137 41.006,1138 41.814,1139 41.488,1140 40.539,1141 40.556,1142 51.922,1143 9.351,1144 116.666,1145 38.308,1146 5.613,1147 5.585,1148 6.488,1149 5.221,1150 5.174,1151 7.563,1152 2.695,1153 17.804,1154 4.995,1155 8.433,1156 1.519,1157 1.549,1158 1.537,1159 1.501,1160 1.502,1161 1.923,1162 0.346,1163 4.321,1164 1.419,1165 4.124,1166 4.168,1167 4.09,1168 3.997,1169 7.43,1170 4.014,1171 3.888,1172 3.938,1173 3.834,1174 3.697,1175 5.027,1176 3.724,1177 3.663,1178 3.715,1179 3.557,1180 3.458,1181 4.75,1182 3.472,1183 3.472,1184 3.529,1185 3.374,1186 3.309,1187 4.577,1188 3.321,1189 3.159,1190 3.233,1191 3.022,1192 2.974,1193 4.326,1194 2.972,1195 3.111,1196 3.206,1197 2.875,1198 2.941,1199 3.943,1200 2.91,1201 2.96,1202 3.031,1203 2.866,1204 2.803,1205 3.892,1206 2.803,1207 2.943,1208 2.987,1209 2.845,1210 2.625,1211 3.531,1212 2.659,1213 0.171,1214 0.133,1215 0.248,1216 0.152,1217 0.118,1218 4.613,1219 0.169,1220 3.585,1221 0.057,1222 6.686,1223 0.398,1224 4.117,1225 0.111,1226 3.174,1227 4.563,1228 1.528,1229 10.756,1230 2.995,1231 1.919,1232 1.889,1233 2.02,1234 2.038,1235 1.209,1236 2.028,1237 1.809,1238 1.76,1239 1.95,1240 2.013,1241 1.139,1242 2.001,1243 1.641,1244 1.582,1245 1.821,1246 1.872,1247 0.996,1248 1.86,1249 1.481,1250 1.427,1251 1.663,1252 1.726,1253 0.825,1254 1.707,1255 1.161,1256 1.087,1257 1.513,1258 1.383,1259 0.709,1260 1.429,1261 1.153,1262 1.064,1263 1.453,1264 1.376,1265 0.579,1266 1.411,1267 0.936,1268 0.88,1269 1.167,1270 1.163,1271 0.225,1272 1.149,1273 0.795,1274 0.724,1275 1.07,1276 1.119,1277 0.203,1278 1.107,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.464,1286 7.018,1287 10.117,1289 1.981,1295 3.312,1296 2.829,1297 5.358,1300 2.081,1305 27.224,1306 69.522,1307 161.614,1308 196.574,1309 204.574,1310 206.574,1311 206.574,1312 31.545,1313 7.362,1314 76.04,1315 76.04,1316 23,1317 12.463,1318 3.807,1319 3.17,1320 33.833,1321 82,1322 76,1323 0.202,1324 165.739,1325 285.52,1326 396.163,1327 15571,1329 16.518,1330 0.688,1331 0.564,1332 16.518,1333 13.528,1334 11.704,1335 0.433,1336 0.298,1337 7.88,1338 11.102,1339 7.719,1340 6.33,1341 11.704,1342 8.038,1343 10.635,1344 0.28,1345 0.155,1346 10.635,1347 5.902,1348 9.022,1349 0.177,1350 0.085,1351 9.022,1352 4.318,1353 7.899,1354 0.114,1355 0.044,1356 7.899,1357 3.036,1358 6.356,1359 0.075,1360 0.024,1361 6.356,1362 2.031,1363 0.313,1364 74.22,1365 0.233,1366 23.273,1367 0.563,1368 130,1369 390.384,1370 146.25,1371 370.472,1372 512.09,1373 350,1374 154,1375 381.146,1376 170.614,1377 381.619,1378 561.95,1379 360,1380 5}
{0 CHEMBL2064331,1 1.782,2 10.083,3 1.516,4 2.297,5 84.916,6 8.234,7 0.37,8 3.841,9 3.959,10 3.49,11 3.309,12 4.989,13 3.34,14 4.394,15 4.558,16 3.868,17 3.691,18 5.585,19 3.708,20 4.615,21 4.83,22 3.818,23 3.771,24 5.738,25 3.757,26 4.549,27 4.781,28 3.735,29 3.716,30 5.687,31 3.655,32 4.468,33 4.699,34 3.657,35 3.594,36 5.588,37 3.563,38 4.417,39 4.623,40 3.604,41 3.539,42 5.605,43 3.508,44 4.378,45 4.61,46 3.499,47 3.402,48 5.589,49 3.388,50 4.197,51 4.444,52 3.342,53 3.293,54 5.347,55 3.257,56 0.127,57 0.713,58 6.967,59 3.19,60 10.359,61 3.902,62 0.42,63 1.119,64 14.785,65 5.397,66 26.491,67 6.79,68 0.675,69 1.275,70 21.493,71 6.014,72 56.657,73 7.91,74 0.574,75 1.172,76 20.124,77 6.936,78 52.003,79 9.676,80 0.52,81 1.037,82 18.991,83 5.606,84 47.602,85 8.023,86 0.533,87 0.939,88 17.671,89 5.802,90 59.442,91 7.638,92 0.655,93 0.876,94 18.598,95 4.822,96 70.229,97 6.543,98 0.483,99 0.777,100 15.502,101 4.241,102 40.151,103 6.143,104 5,105 38,106 0.314,107 0.709,108 0.82,109 0.841,110 0.841,111 0.841,112 3.229,113 0.86,114 -3.58,115 -3.56,116 -3.39,119 40,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 1,175 6,178 3,180 4,183 1,186 1,187 1,192 2,195 1,198 3,199 3,202 3,203 1,207 3,211 1,212 1,220 1,223 2,224 3,227 2,229 3,236 1,237 2,240 1,242 1,250 4,258 2,262 1,263 2,266 1,271 1,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 19.368,283 9.716,284 16.875,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 22.839,292 4.729,293 14.286,294 3.54,295 1.299,296 0.669,297 0.55,298 0.55,299 0.55,300 3.929,303 1,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 31.49,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 242,332 4.49,333 3.581,334 6.274,335 3.984,336 3.031,337 4.434,338 1.528,339 9.6,340 2.887,341 4.253,342 3.179,343 6.199,344 3.869,345 2.929,346 3.632,347 1.005,348 9.312,349 2.756,350 3.746,351 3.104,352 5.532,353 3.44,354 2.5,355 3.139,356 0.864,357 7.474,358 2.341,359 3.581,360 2.93,361 5.131,362 3.228,363 2.277,364 2.762,365 0.86,366 6.345,367 2.165,368 3.424,369 2.662,370 4.917,371 2.99,372 2.02,373 2.588,374 0.367,375 5.667,376 1.927,377 3.153,378 2.312,379 4.659,380 2.679,381 1.744,382 2.372,383 0.052,384 4.943,385 1.621,386 3.004,387 2.059,388 4.396,389 2.587,390 1.664,391 2.228,393 4.268,394 1.525,395 2.885,396 1.534,397 4.341,398 2.472,399 1.51,400 1.874,402 4.202,403 1.449,404 2.213,405 1.511,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.723,424 3.159,425 1.409,426 0.473,427 0.689,428 1.187,429 0.439,430 1.318,431 0.66,432 2.964,433 0.911,434 -0.046,435 -0.053,436 -0.137,437 -0.044,438 1.083,439 0.336,440 2.56,441 0.627,442 -0.386,443 -0.499,445 -0.989,446 -0.37,447 0.873,448 0.043,449 2.378,450 0.468,451 -0.435,452 -0.545,454 -1.12,455 -0.384,456 0.629,457 -0.207,458 2.272,459 0.375,460 -0.577,461 -0.71,463 -1.393,464 -0.556,465 10.952,466 0.456,467 0.588,468 0.025,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 18.054,476 0.752,477 26.248,478 0.656,479 21.381,480 0.891,481 6.178,482 0.257,483 5.492,484 0.229,485 0.057,487 0.356,491 1,493 0.746,494 1.328,495 0.672,496 1.152,497 0.539,498 0.934,499 0.881,500 1.116,501 0.83,502 1.034,503 0.559,504 0.946,505 1.223,506 0.992,507 1.157,508 0.848,509 1.018,510 0.933,511 0.523,512 0.84,513 0.894,514 1.072,515 0.621,516 1.093,517 0.805,518 0.918,519 0.911,520 0.97,521 0.842,522 0.958,523 0.947,524 0.963,525 1.007,526 1.105,527 1.124,528 1.095,529 1.213,530 0.923,531 1.069,532 0.828,533 1.395,534 0.878,535 0.865,536 0.661,537 0.882,538 0.741,539 0.64,540 0.79,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 21057,553 2.161,554 40,556 12,559 2,560 2,564 1.668,565 2.057,566 3.33,567 0.378,568 1,569 1,571 1,573 71.267,574 1.782,575 4.023,576 4.653,577 4.772,578 4.772,579 4.772,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,587 1,588 1,590 1,591 212.877,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.09,610 -0.25,611 0.047,612 -0.11,613 -0.034,614 -0.011,615 -0.039,616 -0.126,617 0.015,618 -0.059,619 0.049,620 -0.028,621 -0.263,622 -0.006,623 -0.21,624 0.072,625 -0.151,626 -0.017,627 0.199,628 0.083,629 0.043,630 -0.097,631 0.096,632 -0.091,633 -0.002,634 -0.056,635 0.049,636 -0.03,637 -0.03,638 0.019,639 -0.01,640 -0.108,641 -0.048,642 -0.138,643 -0.054,644 -0.122,645 -0.108,646 -0.04,647 -0.033,648 0.082,649 -0.14,650 0.064,651 0.026,652 0.197,653 0.13,654 0.195,655 0.098,656 0.199,657 1.999,658 5.255,659 0.875,660 19.417,661 1.024,662 1.144,663 2.353,664 5.538,665 0.661,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.652,678 329.37,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 12.5,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,706 1,709 2,711 10,730 1,731 40,733 13,734 1,735 27,737 43,738 16,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 16,782 7,783 2,784 8,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 1,856 1,859 1,869 1,870 5,873 1,874 1,877 11.667,878 7.16,879 5.139,880 2.368,881 2.699,882 1.366,883 1.026,884 4.044,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.899,900 3.896,901 7.944,902 16.726,904 13.875,905 2.444,906 58.667,910 164.795,911 78.933,912 71.492,914 36.145,915 14.96,917 78.933,918 200.94,919 86.452,921 33.941,922 37.905,923 62.291,924 50.288,925 17.104,926 164.795,928 164.795,929 150.425,930 51.105,933 179.756,934 25.145,935 11,937 75.109,938 49.054,939 26.262,941 179.756,942 107.636,943 78.933,946 164.795,947 41.028,948 41.029,949 34.796,950 84.676,951 164.795,952 122.597,953 78.933,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.07,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.303,975 6.342,976 3.352,977 1.301,978 105.811,979 4.389,980 4.349,981 3.116,984 0.291,986 34.796,987 366.325,988 35,993 11.927,995 1.489,996 4.521,997 0.95,999 40.978,1000 45.741,1001 0.335,1002 0.756,1003 0.874,1004 0.897,1005 0.897,1006 0.897,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.226,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.724,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.685,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 5.957,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.404,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.06,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.28,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.131,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.249,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.197,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.27,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.266,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.32,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.341,1133 6373,1134 11324,1135 18.493,1136 26.443,1137 40.915,1138 41.874,1139 41.066,1140 40.42,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 37.981,1146 5.49,1147 5.581,1148 6.076,1149 5.087,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.887,1155 8.805,1156 1.515,1157 1.551,1158 1.521,1159 1.497,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.407,1165 4.111,1166 4.155,1167 4.079,1168 3.981,1169 8.201,1170 4,1171 3.888,1172 3.938,1173 3.836,1174 3.697,1175 7.43,1176 3.725,1177 3.664,1178 3.716,1179 3.56,1180 3.454,1181 5.038,1182 3.47,1183 3.448,1184 3.495,1185 3.389,1186 3.272,1187 4.747,1188 3.291,1189 3.111,1190 3.206,1191 3,1192 2.941,1193 4.575,1194 2.91,1195 3.074,1196 3.13,1197 2.872,1198 2.887,1199 4.179,1200 2.904,1201 2.944,1202 2.994,1203 2.866,1204 2.775,1205 3.889,1206 2.772,1207 2.913,1208 2.976,1209 2.804,1210 2.594,1211 3.804,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.148,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 3.984,1225 0.107,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.887,1231 1.902,1232 1.876,1233 1.982,1234 2.031,1235 1.209,1236 2.011,1237 1.807,1238 1.759,1239 1.95,1240 2.006,1241 1.088,1242 1.996,1243 1.625,1244 1.568,1245 1.801,1246 1.864,1247 0.979,1248 1.849,1249 1.426,1250 1.378,1251 1.565,1252 1.668,1253 0.825,1254 1.637,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.635,1260 1.429,1261 0.989,1262 0.928,1263 1.206,1264 1.236,1265 0.267,1266 1.229,1267 0.923,1268 0.872,1269 1.109,1270 1.155,1271 0.203,1272 1.122,1273 0.776,1274 0.719,1275 1.066,1276 1.111,1277 0.167,1278 1.105,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1291 13.255,1295 3.001,1296 2.732,1297 5.32,1300 2.024,1305 26.081,1306 71.267,1307 160.903,1308 186.122,1309 190.877,1310 190.877,1311 190.877,1312 38.167,1313 7.384,1314 86.9,1315 86.9,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 157.345,1325 274.29,1326 375.681,1327 16112,1328 2.5,1329 16.518,1330 0.688,1331 0.537,1332 15.648,1333 12.881,1334 11.67,1335 0.432,1336 0.287,1337 7.573,1338 10.987,1339 7.494,1340 6.095,1341 11.276,1342 7.743,1343 10.848,1344 0.285,1345 0.149,1346 10.214,1347 5.671,1348 8.734,1349 0.178,1350 0.08,1351 8.399,1352 3.941,1353 7.762,1354 0.116,1355 0.042,1356 7.507,1357 2.806,1358 6.233,1359 0.075,1360 0.022,1361 5.964,1362 1.864,1363 0.304,1364 74.67,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 473.183,1370 149.72,1371 422.347,1372 567.38,1373 396,1374 152,1375 410.564,1376 170.525,1377 403.551,1378 592.53,1379 381,1380 5}
{0 CHEMBL2064332,1 1.748,2 10.04,3 1.722,4 2.964,5 89.813,6 7.986,7 0.357,8 3.901,9 4.021,10 3.529,11 3.364,12 5.028,13 3.387,14 4.466,15 4.645,16 3.912,17 3.749,18 5.605,19 3.763,20 4.672,21 4.879,22 3.915,23 3.864,24 5.801,25 3.849,26 4.678,27 4.9,28 3.808,29 3.841,30 5.823,31 3.772,32 4.616,33 4.863,34 3.75,35 3.717,36 5.67,37 3.667,38 4.532,39 4.743,40 3.723,41 3.671,42 5.691,43 3.646,44 4.545,45 4.766,46 3.64,47 3.649,48 5.683,49 3.603,50 4.488,51 4.744,52 3.493,53 3.588,54 5.528,55 3.5,56 0.103,57 0.752,58 7.941,59 3.491,60 8.659,61 4.464,62 0.438,63 1.183,64 17.15,65 5.689,66 24.906,67 7.523,68 0.611,69 1.371,70 22.699,71 6.592,72 48.246,73 8.901,74 0.645,75 1.308,76 23.11,77 7.768,78 63.81,79 10.732,80 0.523,81 1.166,82 23.111,83 6.802,84 49.143,85 10.198,86 0.587,87 1.076,88 20.176,89 5.945,90 57.662,91 8.079,92 0.633,93 1.066,94 21.218,95 6.28,96 64.44,97 8.6,98 0.501,99 0.997,100 20.781,101 6.41,102 41.67,103 9.463,104 10,105 40,106 0.304,107 0.681,108 0.816,109 0.835,110 0.835,111 0.835,112 3.267,113 0.872,114 -3.82,115 -3.78,116 -3.59,119 39.5,121 1,124 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 3,175 8,178 1,180 2,183 1,186 1,187 1,192 2,195 1,198 5,199 3,202 2,207 3,211 1,212 1,220 1,223 2,224 5,227 2,229 1,236 2,237 3,250 4,258 2,262 1,263 2,266 1,271 1,275 907,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 15.237,282 20.385,283 9.888,284 17.475,285 13.844,286 13.844,287 13.844,288 13.844,289 13.844,290 11.144,291 23.947,292 4.765,293 14.786,294 3.678,295 1.508,296 0.733,297 0.622,298 0.622,299 0.622,300 3.965,303 1,304 1,305 1,306 553,307 2.345,310 50.286,311 223.634,314 98.825,318 1.408,319 32.386,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 251,332 4.494,333 3.741,334 6.448,335 4.039,336 3.095,337 4.434,338 1.58,339 9.968,340 2.924,341 4.348,342 3.179,343 6.264,344 3.939,345 2.986,346 3.724,347 1.084,348 9.54,349 2.842,350 3.8,351 3.111,352 6.033,353 3.577,354 2.654,355 3.139,356 0.864,357 8.574,358 2.445,359 3.669,360 2.959,361 5.297,362 3.268,363 2.32,364 2.871,365 0.86,366 6.683,367 2.197,368 3.435,369 2.685,370 4.984,371 2.991,372 2.026,373 2.645,374 0.368,375 5.792,376 1.927,377 3.157,378 2.323,379 4.801,380 2.701,381 1.796,382 2.375,383 0.225,384 5.09,385 1.623,386 3.004,387 2.117,388 4.496,389 2.657,390 1.698,391 2.23,393 4.529,394 1.613,395 2.954,396 1.674,397 4.396,398 2.477,399 1.513,400 1.951,402 4.264,403 1.456,404 2.258,405 1.524,406 3.562,407 2.027,408 1.155,409 1.221,411 2.733,412 1,413 2,414 1.267,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.947,423 1.256,424 3.224,425 1.436,426 0.487,427 0.692,428 1.215,429 0.456,430 1.818,431 0.66,432 3.158,433 1.394,434 0.438,435 0.518,436 1.096,437 0.416,438 1.281,439 0.393,440 2.767,441 0.828,442 -0.146,443 -0.2,445 -0.409,446 -0.14,447 0.928,448 0.061,449 2.564,450 0.503,451 -0.423,452 -0.545,454 -1.088,455 -0.373,456 0.702,457 -0.049,458 2.362,459 0.381,460 -0.576,461 -0.672,463 -1.395,464 -0.555,465 11.452,466 0.458,467 0.661,468 0.026,469 30.5,470 1.22,471 12.5,472 0.5,473 18,474 0.72,475 19.97,476 0.799,477 27.548,478 0.641,479 22.891,480 0.916,481 6.333,482 0.253,483 5.765,484 0.231,485 0.098,487 0.375,491 1,493 0.724,494 1.417,495 0.684,496 1.229,497 0.534,498 0.995,499 0.918,500 1.043,501 0.81,502 0.91,503 0.571,504 0.843,505 1.192,506 1.051,507 1.1,508 0.906,509 0.975,510 0.944,511 0.697,512 0.86,513 1.049,514 1.107,515 0.891,516 1.167,517 0.701,518 0.952,519 0.801,520 0.97,521 0.74,522 0.918,523 1.064,524 0.868,525 1.077,526 0.945,527 1.115,528 0.994,529 1.078,530 0.966,531 1.103,532 0.989,533 1.232,534 1.036,535 0.664,536 0.746,537 0.901,538 0.968,539 0.53,540 0.99,541 5.5,542 0.064,543 2.667,544 1.917,545 1.329,546 0.966,547 0.532,548 0.382,549 0.258,550 0.155,551 7317,552 21924,553 2.13,554 41.9,556 15,559 1,560 2,564 1.681,565 2,566 3.322,567 -0.238,568 1,569 1,571 1,573 75.174,574 1.748,575 3.918,576 4.693,577 4.804,578 4.804,579 4.804,580 2.725,581 4.404,582 4.617,583 3.432,584 1029.53,585 7.99,586 12312.1,588 1,590 1,591 233.329,592 1.388,593 4.579,594 0.196,595 0.005,596 0.067,597 0.049,598 0.04,599 0.03,600 0.017,601 0.014,602 0.011,603 0.008,604 0.437,605 0.5,606 1,607 0.553,608 119.899,609 -0.064,610 -0.32,611 0.063,612 -0.165,613 -0.03,614 -0.045,615 -0.047,616 -0.046,617 0.068,618 0.054,619 0.037,620 0.079,621 -0.229,622 -0.03,623 -0.169,624 0.033,625 -0.105,626 -0.025,627 0.101,628 0.078,629 -0.123,630 -0.138,631 -0.009,632 -0.194,633 0.063,634 -0.118,635 0.17,636 -0.019,637 0.022,638 0.081,639 -0.098,640 0.034,641 -0.128,642 -0.017,643 -0.079,644 -0.067,645 -0.077,646 -0.056,647 -0.127,648 -0.035,649 -0.104,650 -0.078,651 0.086,652 0.08,653 0.078,654 0.006,655 0.089,656 0.035,657 1.995,658 5.321,659 0.84,660 20.211,661 1.02,662 1.143,663 2.594,664 6.727,665 0.656,666 3.367,667 3.714,668 3.989,669 4.263,670 4.5,671 4.564,672 4.691,673 4.812,674 4.844,675 4.92,676 5.9,677 0.642,678 343.4,679 3.367,680 4.92,681 5.778,682 6.663,683 7.537,684 8.427,685 9.307,686 10.198,687 11.082,688 11.973,689 11.6,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,706 1,709 2,711 10,730 1,731 43,733 13,734 1,735 28,737 46,738 17,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 18,782 7,783 1,784 8,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,827 1,831 1,836 1,839 1,840 3,844 1,846 1,848 25,854 5,856 1,859 2,869 1,870 4.7,873 1,874 1,877 12.5,878 8.11,879 5.361,880 2.543,881 2.697,882 1.362,883 1.01,884 4.277,885 10.143,886 3.611,887 4.208,888 4.782,889 5.373,890 5.86,891 6.175,892 6.532,893 6.917,894 7.012,895 7.348,896 0.857,897 39,898 9.282,900 4.045,901 7.907,902 17.508,904 14.491,905 2.407,906 60.167,910 200.109,911 87.33,912 56.605,914 36.145,915 14.96,917 87.33,918 236.254,919 71.565,920 8.396,921 19.055,922 37.905,923 62.291,924 50.288,925 17.104,926 200.109,928 200.109,929 143.935,930 51.105,933 215.069,934 25.145,935 11,937 60.222,938 57.451,939 26.262,941 215.069,942 92.75,943 87.33,946 200.109,947 41.028,948 52.55,949 16.786,950 84.676,951 200.109,952 107.71,953 87.33,955 0.589,956 0.343,957 0.184,958 0.104,959 21,960 9,961 0.065,962 3,963 1,964 1.095,965 3.73,966 212.947,967 0.095,968 21,969 112.096,974 16.246,975 6.581,976 3.3,977 1.315,978 90.925,979 4.418,980 4.397,981 3.15,984 0.313,986 16.786,987 395.149,988 36,993 12.295,995 1.544,996 4.639,997 1.144,999 43.862,1000 49.156,1001 0.322,1002 0.722,1003 0.865,1004 0.885,1005 0.885,1006 0.885,1007 4.871,1008 1.513,1009 5.771,1010 4.529,1011 4.394,1012 4.894,1013 2.377,1014 6.583,1015 4.272,1016 6.079,1017 1.155,1018 7.331,1019 4.264,1020 4.007,1021 4.758,1022 1.175,1023 7.431,1024 3.824,1025 7.394,1026 1,1027 8.986,1028 2.733,1029 5.994,1030 7.087,1031 2.653,1032 10.534,1033 5.758,1034 8.74,1035 0.487,1036 10.695,1037 2.136,1038 6.399,1039 7.771,1040 2.149,1041 12.178,1042 6.101,1043 10.118,1044 0.438,1045 12.438,1046 1.215,1047 7.868,1048 9.599,1049 3.185,1050 14.784,1051 7.521,1052 11.516,1053 -0.146,1054 14.204,1055 1.096,1056 8.643,1057 10.687,1058 3.11,1059 16.771,1060 8.236,1061 12.932,1062 -0.423,1063 15.987,1064 -0.409,1065 9.9,1066 12.309,1067 3.887,1068 19.185,1069 9.444,1070 3.095,1071 -0.576,1072 17.783,1073 -1.088,1074 10.852,1075 13.599,1076 4.06,1077 21.327,1078 10.338,1079 2.986,1080 9.968,1081 19.588,1082 -1.395,1083 12.02,1084 15.135,1085 4.69,1086 23.661,1087 11.456,1088 2.654,1089 9.54,1090 21.401,1091 4.434,1092 13.056,1093 16.525,1094 4.999,1095 25.874,1096 12.435,1097 2.32,1098 8.574,1099 23.22,1100 3.724,1101 14.187,1102 18.025,1103 5.549,1104 28.175,1105 13.516,1106 2.026,1107 6.683,1108 25.044,1109 3.139,1110 15.262,1111 19.463,1112 5.929,1113 30.421,1114 14.536,1115 1.796,1116 5.792,1117 26.872,1118 2.871,1119 16.379,1120 20.95,1121 6.436,1122 32.709,1123 15.602,1124 1.698,1125 5.09,1126 28.703,1127 2.645,1128 17.474,1129 22.412,1130 6.853,1131 34.972,1132 16.642,1133 6884,1134 12043,1135 18.898,1136 28.205,1137 42.911,1138 43.852,1139 43.251,1140 42.375,1141 42.334,1142 53.599,1143 9.965,1144 123.242,1145 39.691,1146 5.494,1147 5.741,1148 6.25,1149 5.143,1150 5.095,1151 7.434,1152 2.748,1153 16.899,1154 4.924,1155 10.844,1156 1.533,1157 1.566,1158 1.545,1159 1.513,1160 1.512,1161 1.914,1162 0.356,1163 4.401,1164 1.418,1165 4.112,1166 4.156,1167 4.081,1168 3.982,1169 8.201,1170 4,1171 3.901,1172 3.95,1173 3.852,1174 3.712,1175 7.429,1176 3.74,1177 3.683,1178 3.737,1179 3.575,1180 3.467,1181 5.037,1182 3.484,1183 3.452,1184 3.502,1185 3.393,1186 3.277,1187 4.735,1188 3.296,1189 3.167,1190 3.254,1191 3.017,1192 2.953,1193 4.568,1194 2.955,1195 3.111,1196 3.206,1197 2.979,1198 2.941,1199 4.179,1200 2.91,1201 3.058,1202 3.115,1203 2.866,1204 2.841,1205 3.961,1206 2.855,1207 2.913,1208 2.977,1209 2.806,1210 2.774,1211 3.813,1212 2.771,1213 0.161,1214 0.134,1215 0.23,1216 0.144,1217 0.111,1218 4.494,1219 0.158,1220 3.741,1221 0.056,1222 6.448,1223 0.356,1224 4.039,1225 0.104,1226 3.095,1227 4.434,1228 1.58,1229 9.968,1230 2.924,1231 1.902,1232 1.876,1233 1.982,1234 2.039,1235 1.211,1236 2.017,1237 1.819,1238 1.771,1239 1.955,1240 2.007,1241 1.089,1242 1.998,1243 1.637,1244 1.579,1245 1.828,1246 1.878,1247 1.009,1248 1.866,1249 1.442,1250 1.388,1251 1.615,1252 1.686,1253 0.825,1254 1.662,1255 1.153,1256 1.064,1257 1.513,1258 1.411,1259 0.717,1260 1.438,1261 1.152,1262 1.061,1263 1.471,1264 1.376,1265 0.543,1266 1.429,1267 0.972,1268 0.911,1269 1.198,1270 1.226,1271 0.258,1272 1.217,1273 0.92,1274 0.868,1275 1.108,1276 1.112,1277 0.193,1278 1.111,1279 4.043,1281 5.38,1282 2.398,1283 6.907,1284 4.727,1285 8.519,1286 6.823,1287 10.175,1289 1.691,1291 13.321,1295 3.038,1297 5.346,1300 3.556,1305 27.608,1306 75.174,1307 168.469,1308 201.82,1309 206.574,1310 206.574,1311 206.574,1312 41.746,1313 7.447,1314 76.04,1315 76.04,1316 23,1317 12.503,1318 3.807,1319 3.17,1320 35.882,1321 87,1322 87,1323 0.199,1324 166.937,1325 291.59,1326 399.086,1327 17047,1328 2.3,1329 17.389,1330 0.696,1331 0.553,1332 16.518,1333 13.828,1334 12.097,1335 0.432,1336 0.291,1337 7.954,1338 11.381,1339 7.812,1340 6.38,1341 11.704,1342 8.138,1343 11.238,1344 0.281,1345 0.151,1346 10.604,1347 6.049,1348 9.548,1349 0.18,1350 0.082,1351 9.212,1352 4.369,1353 7.891,1354 0.113,1355 0.042,1356 7.636,1357 2.952,1358 6.52,1359 0.073,1360 0.023,1361 6.25,1362 2.009,1363 0.309,1364 77.449,1365 0.23,1366 24.121,1367 0.555,1368 136,1369 484.495,1370 156.081,1371 432.679,1372 583.5,1373 406,1374 161,1375 424.479,1376 180.856,1377 418.405,1378 615.88,1379 394,1380 5}
{0 CHEMBL2064333,1 1.748,2 10.08,3 1.722,4 2.964,5 89.813,6 7.986,7 0.357,8 3.901,9 4.021,10 3.529,11 3.364,12 5.028,13 3.387,14 4.466,15 4.645,16 3.912,17 3.749,18 5.615,19 3.763,20 4.672,21 4.879,22 3.909,23 3.871,24 5.782,25 3.854,26 4.67,27 4.893,28 3.827,29 3.868,30 5.779,31 3.794,32 4.644,33 4.887,34 3.756,35 3.761,36 5.691,37 3.702,38 4.583,39 4.809,40 3.714,41 3.678,42 5.724,43 3.636,44 4.525,45 4.762,46 3.617,47 3.538,48 5.747,49 3.519,50 4.337,51 4.576,52 3.437,53 3.426,54 5.495,55 3.387,56 0.103,57 0.752,58 7.941,59 3.491,60 8.659,61 4.464,62 0.438,63 1.183,64 17.15,65 5.689,66 27.421,67 7.523,68 0.628,69 1.377,70 22.781,71 6.602,72 51.337,73 8.895,74 0.576,75 1.335,76 22.449,77 7.91,78 50.529,79 11.048,80 0.526,81 1.203,82 23.45,83 7.146,84 45.872,85 10.584,86 0.572,87 1.11,88 21.85,89 6.634,90 57.436,91 9.229,92 0.721,93 1.052,94 22.179,95 5.86,96 79.972,97 7.842,98 0.559,99 0.875,100 17.896,101 4.732,102 49.822,103 6.778,104 10,105 40,106 0.304,107 0.681,108 0.816,109 0.835,110 0.835,111 0.835,112 3.267,113 0.872,114 -3.82,115 -3.78,116 -3.59,119 39.5,121 1,124 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 2,175 8,178 2,180 2,183 1,186 1,187 3,195 1,198 4,199 3,202 3,207 3,211 1,212 1,220 1,223 4,224 4,229 2,236 1,237 2,240 1,242 1,250 4,258 2,262 2,263 2,271 1,275 861,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 15.115,282 20.698,283 9.924,284 17.469,285 13.86,286 13.86,287 13.86,288 13.86,289 13.86,290 11.046,291 23.753,292 4.787,293 14.797,294 3.678,295 1.508,296 0.733,297 0.622,298 0.622,299 0.622,300 3.965,303 1,304 1,305 1,306 555,307 2.345,310 50.609,311 219.717,314 99.088,318 1.376,319 31.161,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 252,332 4.627,333 3.585,334 6.693,335 4.131,336 3.187,337 4.584,338 1.528,339 10.79,340 3.008,341 4.254,342 3.302,343 6.201,344 3.875,345 2.938,346 3.633,347 1.005,348 9.324,349 2.759,350 3.811,351 3.125,352 5.655,353 3.452,354 2.509,355 3.266,356 0.864,357 7.63,358 2.355,359 3.608,360 2.932,361 5.367,362 3.295,363 2.351,364 2.767,365 0.86,366 6.802,367 2.216,368 3.427,369 2.757,370 4.999,371 3.007,372 2.028,373 2.588,374 0.367,375 5.787,376 1.961,377 3.177,378 2.312,379 4.766,380 2.7,381 1.757,382 2.443,383 0.052,384 5.12,385 1.642,386 3.134,387 2.085,388 4.662,389 2.636,390 1.714,391 2.366,393 4.821,394 1.585,395 2.889,396 1.758,397 4.344,398 2.583,399 1.646,400 1.877,402 4.214,403 1.525,404 2.248,405 1.528,406 3.574,407 1.953,408 1.073,409 1.171,411 2.611,412 0.946,413 2.209,414 1.256,415 3.489,416 1.952,417 1,418 1.131,420 2.136,421 0.938,422 2,423 1.066,424 3.247,425 1.811,426 0.858,427 1,428 2.135,429 0.814,430 1.366,431 0.719,432 3.009,433 0.991,434 0.034,435 0.041,436 0.098,437 0.033,438 1.141,439 0.373,440 2.563,441 0.64,442 -0.293,443 -0.357,445 -0.699,446 -0.256,447 1.01,448 0.25,449 2.451,450 0.597,451 -0.386,452 -0.499,454 -0.991,455 -0.377,456 0.723,457 -0.204,458 2.33,459 0.441,460 -0.498,461 -0.607,463 -1.306,464 -0.47,465 11.452,466 0.458,467 0.661,468 0.026,469 30.5,470 1.22,471 12.5,472 0.5,473 18,474 0.72,475 19.945,476 0.798,477 27.548,478 0.641,479 22.89,480 0.916,481 6.329,482 0.253,483 5.768,484 0.231,485 0.098,487 0.375,491 1,493 0.724,494 1.417,495 0.684,496 1.229,497 0.534,498 0.995,499 0.918,500 1.043,501 0.81,502 0.91,503 0.555,504 0.843,505 1.206,506 1.025,507 1.112,508 0.866,509 1.002,510 0.926,511 0.546,512 0.885,513 0.994,514 1.149,515 0.622,516 1.187,517 0.693,518 0.952,519 0.863,520 1.026,521 0.754,522 0.992,523 0.926,524 0.934,525 0.983,526 1.023,527 1.034,528 1.021,529 1.404,530 1.057,531 1.103,532 0.867,533 1.666,534 0.887,535 1.089,536 0.642,537 1.033,538 0.723,539 0.972,540 0.826,541 5.5,542 0.077,543 2.444,544 2.326,545 1.178,546 0.973,547 0.376,548 0.404,549 0.231,550 0.174,551 7319,552 21932,553 2.13,554 41.9,556 15,559 1,560 2,564 1.681,565 2,566 3.321,567 -0.238,568 1,569 1,571 1,573 75.174,574 1.748,575 3.918,576 4.693,577 4.804,578 4.804,579 4.804,580 2.713,581 4.054,582 4.618,583 3.436,584 1030.69,585 7.988,586 12325.6,588 1,590 1,591 233.329,592 1.388,593 4.579,594 0.196,595 0.005,596 0.061,597 0.06,598 0.035,599 0.03,600 0.013,601 0.015,602 0.01,603 0.009,604 0.434,605 0.5,606 1,607 0.553,608 119.95,609 -0.064,610 -0.32,611 0.063,612 -0.165,613 -0.03,614 -0.045,615 -0.047,616 -0.046,617 0.068,618 0.054,619 0.054,620 0.079,621 -0.243,622 -0.004,623 -0.181,624 0.074,625 -0.134,626 -0.006,627 0.154,628 0.072,629 -0.089,630 -0.166,631 0.063,632 -0.199,633 0.051,634 -0.111,635 0.095,636 -0.065,637 -0.013,638 0.01,639 -0.013,640 -0.083,641 -0.013,642 -0.08,643 -0.035,644 -0.057,645 -0.134,646 -0.02,647 -0.047,648 0.068,649 -0.159,650 0.051,651 -0.085,652 0.229,653 -0.03,654 0.193,655 -0.006,656 0.12,657 1.988,658 5.391,659 0.84,660 19.978,661 1.02,662 1.143,663 2.594,664 6.727,665 0.656,666 3.367,667 3.714,668 3.989,669 4.29,670 4.511,671 4.575,672 4.691,673 4.796,674 4.852,675 4.898,676 5.914,677 0.642,678 343.4,679 3.367,680 4.92,681 5.778,682 6.668,683 7.543,684 8.438,685 9.32,686 10.217,687 11.103,688 12.002,689 11.6,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,709 2,710 1,711 10,730 1,731 43,733 13,734 1,735 28,737 46,738 17,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 18,782 7,783 1,784 8,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,846 1,848 25,854 5,855 1,856 1,859 1,869 1,870 4.7,873 1,874 1,877 12.5,878 8.11,879 5.361,880 2.543,881 2.726,882 1.365,883 1.01,884 4.277,885 10.195,886 3.611,887 4.223,888 4.801,889 5.418,890 5.906,891 6.235,892 6.586,893 6.955,894 7.085,895 7.346,896 0.857,897 39,898 9.277,900 4.037,901 7.907,902 17.508,904 14.491,905 2.407,906 60.167,910 200.109,911 87.33,912 56.605,914 36.145,915 14.96,917 87.33,918 236.254,919 71.565,920 8.396,921 33.941,922 37.905,923 62.291,924 35.402,925 17.104,926 200.109,928 200.109,929 143.935,930 51.105,933 215.069,934 25.145,935 11,937 60.222,938 57.451,939 26.262,941 215.069,942 92.75,943 87.33,946 200.109,947 41.028,948 51.325,949 18.011,950 84.676,951 200.109,952 107.71,953 87.33,955 0.587,956 0.339,957 0.191,958 0.107,959 21,960 9,961 0.065,962 3,963 1,964 1.095,965 3.727,966 213.13,967 0.095,968 21,969 112.096,974 16.246,975 6.581,976 3.3,977 1.423,978 105.811,979 4.508,980 4.468,984 0.39,985 1.885,986 18.011,987 395.149,988 36,993 12.015,995 1.499,996 4.569,997 0.982,999 43.862,1000 49.156,1001 0.322,1002 0.722,1003 0.865,1004 0.885,1005 0.885,1006 0.885,1007 4.871,1008 1.646,1009 5.771,1010 4.821,1011 4.394,1012 4.909,1013 2.316,1014 6.589,1015 4.272,1016 6.086,1017 1.073,1018 7.331,1019 4.214,1020 4.007,1021 4.82,1022 1.048,1023 7.452,1024 3.824,1025 7.407,1026 1,1027 8.987,1028 2.611,1029 5.994,1030 7.132,1031 2.547,1032 10.572,1033 5.756,1034 8.761,1035 0.858,1036 10.699,1037 2.136,1038 6.399,1039 7.875,1040 1.926,1041 12.27,1042 6.095,1043 10.147,1044 0.034,1045 12.447,1046 2.135,1047 7.877,1048 9.698,1049 3.017,1050 14.902,1051 7.523,1052 11.556,1053 -0.293,1054 14.221,1055 0.098,1056 8.665,1057 10.851,1058 2.824,1059 16.971,1060 8.243,1061 12.985,1062 -0.386,1063 16.016,1064 -0.699,1065 9.934,1066 12.481,1067 3.646,1068 19.426,1069 9.461,1070 3.187,1071 -0.498,1072 17.826,1073 -0.991,1074 10.908,1075 13.833,1076 3.721,1077 21.66,1078 10.369,1079 2.938,1080 10.79,1081 19.649,1082 -1.306,1083 12.091,1084 15.389,1085 4.375,1086 24.052,1087 11.499,1088 2.509,1089 9.324,1090 21.483,1091 4.584,1092 13.153,1093 16.832,1094 4.604,1095 26.358,1096 12.498,1097 2.351,1098 7.63,1099 23.326,1100 3.633,1101 14.304,1102 18.361,1103 5.16,1104 28.729,1105 13.594,1106 2.028,1107 6.802,1108 25.176,1109 3.266,1110 15.407,1111 19.846,1112 5.476,1113 31.068,1114 14.637,1115 1.757,1116 5.787,1117 27.032,1118 2.767,1119 16.549,1120 21.367,1121 5.975,1122 33.434,1123 15.722,1124 1.714,1125 5.12,1126 28.894,1127 2.588,1128 17.672,1129 22.871,1130 6.339,1131 35.788,1132 16.786,1133 6889,1134 12051,1135 18.898,1136 28.205,1137 42.644,1138 43.685,1139 43.442,1140 42.229,1141 42.189,1142 53.733,1143 9.351,1144 122.935,1145 39.559,1146 5.627,1147 5.585,1148 6.495,1149 5.234,1150 5.187,1151 7.584,1152 2.695,1153 17.872,1154 5.008,1155 10.868,1156 1.523,1157 1.56,1158 1.552,1159 1.508,1160 1.507,1161 1.919,1162 0.334,1163 4.391,1164 1.413,1165 4.128,1166 4.171,1167 4.099,1168 3.997,1169 8.201,1170 4.016,1171 3.888,1172 3.938,1173 3.836,1174 3.697,1175 7.43,1176 3.725,1177 3.665,1178 3.716,1179 3.562,1180 3.457,1181 4.995,1182 3.473,1183 3.489,1184 3.541,1185 3.423,1186 3.308,1187 4.745,1188 3.327,1189 3.161,1190 3.234,1191 3.038,1192 2.974,1193 4.575,1194 2.975,1195 3.111,1196 3.206,1197 2.875,1198 2.941,1199 4.181,1200 2.91,1201 2.963,1202 3.034,1203 2.866,1204 2.803,1205 3.933,1206 2.803,1207 2.943,1208 2.988,1209 2.845,1210 2.623,1211 3.889,1212 2.659,1213 0.165,1214 0.128,1215 0.239,1216 0.148,1217 0.114,1218 4.627,1219 0.164,1220 3.585,1221 0.055,1222 6.693,1223 0.385,1224 4.131,1225 0.107,1226 3.187,1227 4.584,1228 1.528,1229 10.79,1230 3.008,1231 1.912,1232 1.885,1233 1.994,1234 2.038,1235 1.209,1236 2.022,1237 1.808,1238 1.76,1239 1.95,1240 2.014,1241 1.132,1242 1.999,1243 1.64,1244 1.582,1245 1.817,1246 1.872,1247 0.991,1248 1.859,1249 1.479,1250 1.426,1251 1.657,1252 1.726,1253 0.825,1254 1.704,1255 1.156,1256 1.082,1257 1.513,1258 1.384,1259 0.703,1260 1.429,1261 1.153,1262 1.064,1263 1.451,1264 1.376,1265 0.577,1266 1.408,1267 0.935,1268 0.879,1269 1.162,1270 1.163,1271 0.22,1272 1.149,1273 0.776,1274 0.72,1275 1.069,1276 1.119,1277 0.2,1278 1.107,1279 4.043,1281 5.38,1282 2.398,1283 6.907,1284 4.844,1285 8.519,1286 7.018,1287 10.176,1289 1.868,1291 13.391,1295 3.031,1296 2.766,1297 5.337,1300 2.034,1305 27.608,1306 75.174,1307 168.469,1308 201.82,1309 206.574,1310 206.574,1311 206.574,1312 40.817,1313 7.469,1314 76.04,1315 76.04,1316 23,1317 12.527,1318 3.807,1319 3.17,1320 35.908,1321 89,1322 82,1323 0.198,1324 166.937,1325 291.59,1326 399.086,1327 17645,1328 2.3,1329 17.389,1330 0.696,1331 0.553,1332 16.518,1333 13.828,1334 12.097,1335 0.432,1336 0.291,1337 7.954,1338 11.377,1339 7.813,1340 6.38,1341 11.704,1342 8.138,1343 11.269,1344 0.282,1345 0.151,1346 10.635,1347 6.047,1348 9.357,1349 0.177,1350 0.083,1351 9.022,1352 4.373,1353 8.163,1354 0.113,1355 0.043,1356 7.899,1357 3.063,1358 6.561,1359 0.073,1360 0.023,1361 6.356,1362 2.041,1363 0.308,1364 77.449,1365 0.23,1366 24.117,1367 0.552,1368 136,1369 484.495,1370 156.081,1371 432.629,1372 583.46,1373 406,1374 161,1375 424.479,1376 180.524,1377 418.268,1378 615.53,1379 394,1380 5}
{0 CHEMBL2064334,1 1.748,2 10.08,3 1.722,4 2.964,5 89.813,6 7.986,7 0.357,8 3.901,9 4.021,10 3.529,11 3.364,12 5.028,13 3.387,14 4.466,15 4.645,16 3.912,17 3.749,18 5.615,19 3.763,20 4.672,21 4.879,22 3.909,23 3.871,24 5.783,25 3.854,26 4.67,27 4.893,28 3.827,29 3.868,30 5.754,31 3.794,32 4.649,33 4.89,34 3.79,35 3.759,36 5.758,37 3.711,38 4.592,39 4.816,40 3.686,41 3.677,42 5.75,43 3.634,44 4.51,45 4.751,46 3.607,47 3.54,48 5.678,49 3.51,50 4.337,51 4.576,52 3.437,53 3.426,54 5.495,55 3.387,56 0.103,57 0.752,58 7.941,59 3.491,60 8.659,61 4.464,62 0.438,63 1.183,64 17.15,65 5.689,66 27.421,67 7.523,68 0.628,69 1.377,70 22.781,71 6.602,72 51.368,73 8.895,74 0.576,75 1.335,76 22.449,77 7.91,78 45.128,79 11.048,80 0.533,81 1.252,82 23.563,83 7.167,84 52.143,85 10.45,86 0.649,87 1.127,88 22.323,89 6.664,90 69.696,91 8.938,92 0.637,93 0.986,94 21.593,95 5.809,96 66.811,97 8.267,98 0.559,99 0.875,100 17.896,101 4.732,102 49.822,103 6.778,104 10,105 40,106 0.304,107 0.681,108 0.816,109 0.835,110 0.835,111 0.835,112 3.267,113 0.872,114 -3.82,115 -3.78,116 -3.59,119 39.5,121 1,124 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 2,175 8,178 2,180 2,183 1,186 1,187 3,195 1,198 4,199 3,202 3,207 3,211 1,212 1,220 1,223 4,224 4,229 2,236 1,237 2,240 1,242 1,250 4,258 2,262 2,263 2,271 1,275 859,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 15.115,282 20.698,283 9.926,284 17.469,285 13.86,286 13.86,287 13.86,288 13.86,289 13.86,290 11.046,291 23.753,292 4.791,293 14.797,294 3.678,295 1.508,296 0.733,297 0.622,298 0.622,299 0.622,300 3.965,303 1,304 1,305 1,306 555,307 2.345,310 50.609,311 219.717,314 99.088,318 1.376,319 31.381,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 252,332 4.629,333 3.585,334 6.697,335 4.133,336 3.189,337 4.585,338 1.528,339 10.807,340 3.01,341 4.254,342 3.306,343 6.201,344 3.875,345 2.938,346 3.633,347 1.005,348 9.324,349 2.759,350 3.793,351 3.126,352 5.648,353 3.448,354 2.506,355 3.231,356 0.864,357 7.618,358 2.352,359 3.598,360 2.93,361 5.348,362 3.278,363 2.331,364 2.766,365 0.86,366 6.713,367 2.205,368 3.424,369 2.74,370 4.954,371 2.993,372 2.02,373 2.644,374 0.367,375 5.713,376 1.939,377 3.303,378 2.312,379 4.857,380 2.804,381 1.853,382 2.55,383 0.052,384 5.398,385 1.748,386 3.047,387 2.113,388 4.657,389 2.641,390 1.728,391 2.242,393 4.74,394 1.572,395 2.885,396 1.778,397 4.343,398 2.517,399 1.576,400 1.875,402 4.209,403 1.475,404 2.219,405 1.519,406 3.542,407 1.952,408 1.071,409 1.157,411 2.61,412 0.946,413 2.205,414 1.256,415 3.489,416 1.951,417 1,418 1.095,420 2.136,421 0.936,422 2,423 0.935,424 3.247,425 1.762,426 0.803,427 1,428 2.007,429 0.767,430 1.437,431 0.723,432 3.023,433 1.088,434 0.15,435 0.179,436 0.397,437 0.139,438 1.198,439 0.597,440 2.564,441 0.657,442 -0.302,443 -0.359,445 -0.798,446 -0.277,447 0.903,448 0.158,449 2.45,450 0.581,451 -0.394,452 -0.502,454 -1.015,455 -0.38,456 0.655,457 -0.207,458 2.322,459 0.377,460 -0.577,461 -0.71,463 -1.393,464 -0.551,465 11.452,466 0.458,467 0.661,468 0.026,469 30.5,470 1.22,471 12.5,472 0.5,473 18,474 0.72,475 19.962,476 0.798,477 27.548,478 0.641,479 22.895,480 0.916,481 6.329,482 0.253,483 5.768,484 0.231,485 0.098,487 0.375,491 1,493 0.724,494 1.417,495 0.684,496 1.229,497 0.534,498 0.995,499 0.918,500 1.043,501 0.81,502 0.91,503 0.555,504 0.843,505 1.206,506 1.025,507 1.112,508 0.866,509 1,510 0.926,511 0.546,512 0.885,513 0.994,514 1.149,515 0.658,516 1.187,517 0.764,518 1.028,519 0.853,520 1.03,521 0.802,522 0.974,523 1.149,524 0.963,525 1.132,526 1.019,527 1.339,528 1.061,529 1.079,530 0.937,531 0.954,532 0.866,533 1.239,534 0.865,535 1.089,536 0.642,537 1.033,538 0.723,539 0.972,540 0.826,541 5.5,542 0.077,543 2.444,544 2.201,545 1.258,546 0.917,547 0.376,548 0.404,549 0.231,550 0.174,551 7315,552 21924,553 2.13,554 41.9,556 15,559 1,560 2,564 1.681,565 2,566 3.32,567 -0.238,568 1,569 1,571 1,573 75.174,574 1.748,575 3.918,576 4.693,577 4.804,578 4.804,579 4.804,580 2.713,581 4.404,582 4.618,583 3.435,584 1030.55,585 7.988,586 12317.5,588 1,590 1,591 233.329,592 1.388,593 4.579,594 0.196,595 0.005,596 0.061,597 0.056,598 0.037,599 0.028,600 0.013,601 0.015,602 0.01,603 0.009,604 0.431,605 0.5,606 1,607 0.553,608 119.936,609 -0.064,610 -0.32,611 0.063,612 -0.165,613 -0.03,614 -0.045,615 -0.047,616 -0.046,617 0.068,618 0.054,619 0.054,620 0.079,621 -0.243,622 -0.004,623 -0.181,624 0.074,625 -0.132,626 -0.006,627 0.154,628 0.072,629 -0.089,630 -0.166,631 0.027,632 -0.199,633 0.043,634 -0.14,635 0.115,636 -0.068,637 0.034,638 0.022,639 -0.098,640 -0.008,641 -0.144,642 -0.07,643 -0.141,644 -0.112,645 -0.032,646 -0.067,647 0.072,648 0.06,649 -0.057,650 0.096,651 -0.085,652 0.229,653 -0.03,654 0.193,655 -0.006,656 0.12,657 1.97,658 5.448,659 0.84,660 19.894,661 1.02,662 1.143,663 2.594,664 6.727,665 0.656,666 3.367,667 3.714,668 3.989,669 4.29,670 4.522,671 4.554,672 4.691,673 4.812,674 4.844,675 4.898,676 5.91,677 0.642,678 343.4,679 3.367,680 4.92,681 5.778,682 6.668,683 7.544,684 8.438,685 9.321,686 10.218,687 11.105,688 12.002,689 11.6,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,709 2,710 1,711 10,730 1,731 43,733 13,734 1,735 28,737 46,738 17,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 18,782 7,783 1,784 8,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,846 1,848 25,854 5,855 1,856 1,859 1,869 1,870 4.7,873 1,874 1,877 12.5,878 8.11,879 5.361,880 2.543,881 2.726,882 1.365,883 1.01,884 4.277,885 10.195,886 3.611,887 4.223,888 4.801,889 5.418,890 5.916,891 6.215,892 6.586,893 6.976,894 7.07,895 7.346,896 0.857,897 39,898 9.278,900 4.038,901 7.907,902 17.508,904 14.491,905 2.407,906 60.167,910 200.109,911 87.33,912 56.605,914 36.145,915 14.96,917 87.33,918 236.254,919 71.565,920 8.396,921 33.941,922 37.905,923 62.291,924 35.402,925 17.104,926 200.109,928 200.109,929 143.935,930 51.105,933 215.069,934 25.145,935 11,937 60.222,938 57.451,939 26.262,941 215.069,942 92.75,943 87.33,946 200.109,947 41.028,948 51.325,949 18.011,950 84.676,951 200.109,952 107.71,953 87.33,955 0.587,956 0.34,957 0.191,958 0.109,959 21,960 9,961 0.065,962 3,963 1,964 1.095,965 3.725,966 213.209,967 0.095,968 21,969 109.342,974 16.246,975 6.581,976 3.3,977 1.423,978 105.811,979 4.485,980 4.521,984 0.408,985 1.819,986 18.011,987 395.149,988 36,993 12.015,995 1.499,996 4.569,997 0.982,999 43.862,1000 49.156,1001 0.322,1002 0.722,1003 0.865,1004 0.885,1005 0.885,1006 0.885,1007 4.871,1008 1.576,1009 5.771,1010 4.74,1011 4.394,1012 4.909,1013 2.316,1014 6.589,1015 4.272,1016 6.086,1017 1.071,1018 7.331,1019 4.209,1020 4.007,1021 4.82,1022 1.048,1023 7.452,1024 3.824,1025 7.407,1026 1,1027 8.987,1028 2.61,1029 5.994,1030 7.132,1031 2.547,1032 10.573,1033 5.756,1034 8.761,1035 0.803,1036 10.699,1037 2.136,1038 6.399,1039 7.875,1040 1.926,1041 12.271,1042 6.095,1043 10.147,1044 0.15,1045 12.447,1046 2.007,1047 7.877,1048 9.698,1049 3.017,1050 14.906,1051 7.523,1052 11.556,1053 -0.302,1054 14.221,1055 0.397,1056 8.665,1057 10.851,1058 2.824,1059 16.976,1060 8.243,1061 12.985,1062 -0.394,1063 16.016,1064 -0.798,1065 9.934,1066 12.482,1067 3.646,1068 19.433,1069 9.461,1070 3.189,1071 -0.577,1072 17.827,1073 -1.015,1074 10.909,1075 13.834,1076 3.721,1077 21.67,1078 10.37,1079 2.938,1080 10.807,1081 19.65,1082 -1.393,1083 12.093,1084 15.39,1085 4.375,1086 24.063,1087 11.5,1088 2.506,1089 9.324,1090 21.484,1091 4.585,1092 13.155,1093 16.834,1094 4.604,1095 26.372,1096 12.5,1097 2.331,1098 7.618,1099 23.328,1100 3.633,1101 14.307,1102 18.364,1103 5.16,1104 28.745,1105 13.597,1106 2.02,1107 6.713,1108 25.178,1109 3.231,1110 15.412,1111 19.85,1112 5.476,1113 31.086,1114 14.64,1115 1.853,1116 5.713,1117 27.036,1118 2.766,1119 16.554,1120 21.371,1121 5.975,1122 33.454,1123 15.727,1124 1.728,1125 5.398,1126 28.898,1127 2.644,1128 17.678,1129 22.876,1130 6.339,1131 35.81,1132 16.791,1133 6885,1134 12042,1135 18.898,1136 28.205,1137 42.73,1138 43.911,1139 43.444,1140 42.342,1141 42.331,1142 53.915,1143 9.351,1144 123.344,1145 39.694,1146 5.629,1147 5.585,1148 6.499,1149 5.236,1150 5.189,1151 7.585,1152 2.695,1153 17.861,1154 5.01,1155 10.851,1156 1.526,1157 1.568,1158 1.552,1159 1.512,1160 1.512,1161 1.926,1162 0.334,1163 4.405,1164 1.418,1165 4.128,1166 4.171,1167 4.1,1168 3.997,1169 8.201,1170 4.016,1171 3.888,1172 3.938,1173 3.836,1174 3.697,1175 7.43,1176 3.725,1177 3.665,1178 3.716,1179 3.561,1180 3.457,1181 4.997,1182 3.473,1183 3.487,1184 3.539,1185 3.419,1186 3.308,1187 4.745,1188 3.327,1189 3.159,1190 3.233,1191 3.027,1192 2.974,1193 4.575,1194 2.972,1195 3.111,1196 3.206,1197 2.908,1198 2.941,1199 4.179,1200 2.91,1201 2.987,1202 3.049,1203 2.872,1204 2.801,1205 3.926,1206 2.816,1207 2.944,1208 2.99,1209 2.866,1210 2.625,1211 3.863,1212 2.659,1213 0.165,1214 0.128,1215 0.239,1216 0.148,1217 0.114,1218 4.629,1219 0.164,1220 3.585,1221 0.055,1222 6.697,1223 0.386,1224 4.133,1225 0.107,1226 3.189,1227 4.585,1228 1.528,1229 10.807,1230 3.01,1231 1.911,1232 1.885,1233 1.992,1234 2.038,1235 1.209,1236 2.022,1237 1.808,1238 1.76,1239 1.95,1240 2.014,1241 1.131,1242 1.999,1243 1.64,1244 1.582,1245 1.819,1246 1.872,1247 0.993,1248 1.859,1249 1.48,1250 1.427,1251 1.661,1252 1.726,1253 0.825,1254 1.706,1255 1.157,1256 1.084,1257 1.513,1258 1.384,1259 0.706,1260 1.429,1261 1.153,1262 1.064,1263 1.449,1264 1.376,1265 0.577,1266 1.408,1267 0.913,1268 0.865,1269 1.138,1270 1.164,1271 0.217,1272 1.139,1273 0.793,1274 0.724,1275 1.069,1276 1.123,1277 0.197,1278 1.097,1279 4.043,1281 5.38,1282 2.398,1283 6.907,1284 4.844,1285 8.519,1286 7.018,1287 10.176,1289 1.827,1291 13.448,1295 3.031,1296 2.766,1297 5.337,1300 2.034,1305 27.608,1306 75.174,1307 168.469,1308 201.82,1309 206.574,1310 206.574,1311 206.574,1312 40.946,1313 7.469,1314 76.04,1315 76.04,1316 23,1317 12.528,1318 3.807,1319 3.17,1320 35.91,1321 89,1322 82,1323 0.198,1324 166.937,1325 291.59,1326 399.086,1327 17645,1328 2.3,1329 17.389,1330 0.696,1331 0.553,1332 16.518,1333 13.828,1334 12.097,1335 0.432,1336 0.291,1337 7.954,1338 11.377,1339 7.813,1340 6.38,1341 11.704,1342 8.138,1343 11.269,1344 0.282,1345 0.151,1346 10.635,1347 6.047,1348 9.364,1349 0.177,1350 0.083,1351 9.022,1352 4.373,1353 8.102,1354 0.113,1355 0.042,1356 7.899,1357 3.053,1358 6.737,1359 0.074,1360 0.023,1361 6.356,1362 2.07,1363 0.308,1364 77.449,1365 0.23,1366 24.113,1367 0.552,1368 136,1369 484.495,1370 156.081,1371 432.629,1372 583.46,1373 406,1374 161,1375 424.479,1376 180.524,1377 418.268,1378 615.53,1379 394,1380 5}
{0 CHEMBL2064335,1 1.782,2 10.083,3 2.059,4 4.237,5 92.322,6 9.757,7 0.37,8 3.835,9 3.949,10 3.634,11 3.36,12 4.927,13 3.362,14 4.387,15 4.548,16 4.06,17 3.759,18 5.502,19 3.739,20 4.604,21 4.812,22 4.034,23 3.858,24 5.637,25 3.794,26 4.54,27 4.766,28 3.976,29 3.783,30 5.581,31 3.688,32 4.461,33 4.688,34 3.907,35 3.655,36 5.502,37 3.595,38 4.41,39 4.613,40 3.744,41 3.594,42 5.555,43 3.532,44 4.368,45 4.593,46 3.664,47 3.482,48 5.514,49 3.421,50 4.187,51 4.429,52 3.692,53 3.356,54 5.199,55 3.293,56 0.09,57 0.643,58 4.97,59 3.266,60 5.924,61 3.856,62 0.361,63 1.031,64 12.948,65 5.833,66 22.891,67 6.902,68 0.55,69 1.186,70 27.659,71 7.215,72 37.93,73 8.498,74 0.464,75 1.11,76 24.285,77 7.613,78 35.428,79 10.076,80 0.415,81 0.994,82 20.08,83 6.267,84 35.02,85 8.157,86 0.45,87 0.917,88 20.1,89 6.52,90 45.217,91 7.955,92 0.549,93 0.846,94 25.91,95 5.971,96 51.568,97 7.146,98 0.36,99 0.723,100 18.763,101 4.712,102 26.876,103 6.197,104 5,105 38,106 0.314,107 0.709,108 0.82,109 0.841,110 0.841,111 0.841,112 3.229,113 0.948,114 -3.82,115 -3.78,116 -3.59,117 1,119 40,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 1,175 6,178 3,180 4,183 3,186 1,187 1,192 2,195 2,198 3,199 4,202 3,203 1,207 3,211 1,212 1,217 1,220 1,223 2,224 3,227 2,229 3,232 1,236 1,237 2,240 1,242 1,250 5,255 1,258 2,262 1,263 2,266 1,271 1,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 19.384,283 9.716,284 16.977,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 22.853,292 4.729,293 14.488,294 3.54,295 1.299,296 0.669,297 0.55,298 0.55,299 0.55,300 3.929,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 23.562,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.25,331 242,332 4.49,333 3.581,334 6.274,335 3.98,336 3.031,337 4.434,338 1.528,339 9.6,340 2.873,341 4.253,342 3.178,343 6.199,344 3.868,345 2.929,346 3.632,347 1.005,348 9.312,349 2.753,350 3.746,351 3.102,352 5.532,353 3.435,354 2.5,355 3.139,356 0.864,357 7.474,358 2.332,359 3.581,360 2.926,361 5.131,362 3.204,363 2.277,364 2.762,365 0.86,366 6.345,367 2.13,368 3.424,369 2.655,370 4.917,371 2.953,372 2.02,373 2.588,374 0.367,375 5.667,376 1.777,377 3.153,378 2.312,379 4.659,380 2.672,381 1.744,382 2.372,383 0.052,384 4.943,385 1.576,386 3.004,387 2.057,388 4.396,389 2.583,390 1.664,391 2.228,393 4.268,394 1.509,395 2.885,396 1.534,397 4.341,398 2.471,399 1.51,400 1.874,402 4.202,403 1.434,404 2.213,405 1.511,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.723,424 3.159,425 1.39,426 0.473,427 0.689,428 1.187,429 0.409,430 1.318,431 0.655,432 2.964,433 0.908,434 -0.046,435 -0.053,436 -0.137,437 -0.042,438 1.083,439 0.336,440 2.56,441 0.626,442 -0.386,443 -0.499,445 -0.989,446 -0.248,447 0.873,448 0.036,449 2.378,450 0.423,451 -0.435,452 -0.545,454 -1.12,455 -0.378,456 0.629,457 -0.207,458 2.272,459 0.337,460 -0.577,461 -0.71,463 -1.393,464 -0.547,465 12,466 0.5,467 0.588,468 0.025,469 29.5,470 1.229,471 12.5,472 0.521,473 17,474 0.708,475 20.269,476 0.845,477 25.2,478 0.63,479 19.165,480 0.799,481 5.776,482 0.241,483 5.894,484 0.246,485 0.139,487 0.325,493 0.85,494 1.48,495 0.478,496 0.896,497 0.596,498 0.853,499 1.01,500 1.163,501 0.561,502 0.806,503 0.614,504 0.864,505 1.323,506 0.989,507 0.944,508 0.838,509 1.1,510 0.931,511 0.486,512 0.937,513 0.7,514 0.978,515 0.617,516 1.054,517 0.977,518 1.064,519 0.535,520 0.814,521 1.179,522 0.891,523 1.092,524 1.074,525 0.64,526 0.963,527 1.575,528 1.05,529 1.317,530 0.966,531 0.919,532 0.867,533 1.788,534 0.903,535 1.081,536 0.858,537 0.62,538 0.735,539 0.793,540 0.76,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 21057,553 2.161,554 40,556 12,559 2,560 2,564 1.668,565 2.057,566 3.33,567 0.378,568 1,569 1,573 71.267,574 1.782,575 4.023,576 4.653,577 4.772,578 4.772,579 4.772,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,587 1,588 1,590 1,591 212.877,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.103,610 -0.289,611 0.002,612 -0.073,613 -0.041,614 -0.01,615 -0.026,616 -0.058,617 0.016,618 0.028,619 0.069,620 0.001,621 -0.297,622 0.06,623 -0.096,624 0.059,625 -0.19,626 -0.026,627 0.253,628 0.067,629 0.02,630 -0.081,631 0.138,632 -0.08,633 -0.046,634 -0.072,635 0.06,636 0.029,637 -0.092,638 0.049,639 0.023,640 -0.113,641 -0.028,642 -0.098,643 -0.02,644 -0.116,645 -0.073,646 -0.021,647 -0.067,648 0.042,649 -0.119,650 0.036,651 -0.089,652 0.095,653 0.108,654 0.153,655 0.022,656 0.21,657 1.819,658 4.97,659 0.875,660 19.417,661 1.017,662 1.131,663 2.594,664 6.727,665 0.696,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.668,678 390.27,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 12.5,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,706 1,709 2,711 10,730 1,731 40,733 13,734 1,735 27,736 1,737 43,738 16,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 16,782 6,783 2,784 8,785 1,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,843 1,848 24,854 5,855 1,856 1,859 1,869 1,870 5,873 1,874 1,877 11.667,878 7.16,879 5.139,880 2.368,881 2.699,882 1.366,883 1.027,884 4.395,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.869,900 3.814,901 7.726,902 16.975,904 14.068,905 2.226,906 53.417,910 164.795,911 72.867,912 117.446,914 36.145,917 118.822,918 200.94,919 71.492,921 33.941,922 37.905,923 62.291,924 44.223,925 2.144,926 164.795,927 45.954,928 164.795,929 144.359,930 36.145,932 45.954,933 164.795,934 25.145,935 11,937 75.109,938 42.988,939 26.262,940 45.954,941 164.795,942 107.636,943 118.822,946 164.795,947 34.962,948 41.029,949 80.75,950 69.716,951 164.795,952 107.636,953 118.822,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.07,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.817,975 6.668,976 3.559,977 1.839,978 90.851,979 5.884,980 4.559,981 3.262,984 1.749,986 34.796,987 391.253,988 35,993 11.97,995 1.532,996 4.586,997 1.137,999 40.694,1000 45.243,1001 0.335,1002 0.756,1003 0.874,1004 0.897,1005 0.897,1006 0.897,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.202,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.664,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.651,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 5.904,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.367,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.013,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.241,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.086,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.206,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.15,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.223,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.215,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.267,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.283,1133 6373,1134 11324,1135 18.493,1136 27.858,1137 40.915,1138 41.859,1139 41.066,1140 40.546,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 37.348,1146 5.49,1147 5.581,1148 6.076,1149 5.083,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.873,1155 8.805,1156 1.515,1157 1.55,1158 1.521,1159 1.502,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.383,1165 4.108,1166 4.151,1167 6.88,1168 3.999,1169 7.43,1170 4.006,1171 3.888,1172 3.937,1173 4.042,1174 3.7,1175 5.062,1176 3.726,1177 3.663,1178 3.714,1179 3.829,1180 3.463,1181 4.75,1182 3.473,1183 3.437,1184 3.477,1185 3.552,1186 3.311,1187 4.577,1188 3.308,1189 3.111,1190 3.206,1191 3.262,1192 2.948,1193 4.344,1194 2.926,1195 3.065,1196 3.117,1197 2.921,1198 2.941,1199 3.895,1200 2.91,1201 2.944,1202 2.992,1203 2.866,1204 2.788,1205 3.864,1206 2.778,1207 2.91,1208 2.973,1209 2.866,1210 2.595,1211 3.492,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.147,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 3.98,1225 0.106,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.873,1231 1.906,1232 1.884,1233 1.962,1234 2.03,1235 1.209,1236 2.009,1237 1.807,1238 1.759,1239 1.948,1240 1.987,1241 1.108,1242 1.989,1243 1.626,1244 1.569,1245 1.8,1246 1.862,1247 0.98,1248 1.848,1249 1.426,1250 1.378,1251 1.564,1252 1.664,1253 0.825,1254 1.635,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.635,1260 1.429,1261 0.996,1262 0.946,1263 1.195,1264 1.215,1265 0.287,1266 1.22,1267 0.927,1268 0.879,1269 1.101,1270 1.149,1271 0.204,1272 1.115,1273 0.777,1274 0.72,1275 1.063,1276 1.092,1277 0.179,1278 1.102,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1288 3.442,1295 3.243,1296 2.797,1297 5.346,1300 2.067,1305 26.723,1306 71.267,1307 160.903,1308 186.122,1309 190.877,1310 190.877,1311 190.877,1312 32.189,1313 7.384,1314 86.9,1315 86.9,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 168.06,1325 287.5,1326 401.827,1327 16112,1328 2.5,1329 16.518,1330 0.688,1331 0.603,1332 17.518,1333 14.467,1334 11.67,1335 0.432,1336 0.316,1337 7.647,1338 10.532,1339 7.494,1340 6.095,1341 12.247,1342 8.536,1343 10.848,1344 0.285,1345 0.173,1346 11.664,1347 6.587,1348 8.734,1349 0.178,1350 0.091,1351 9.259,1352 4.435,1353 7.762,1354 0.116,1355 0.047,1356 8.232,1357 3.155,1358 6.233,1359 0.075,1360 0.026,1361 6.736,1362 2.171,1363 0.304,1364 82.176,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 405.727,1370 211.76,1371 422.347,1372 567.38,1373 396,1374 152,1375 390.964,1376 195.879,1377 403.551,1378 592.53,1379 381,1380 5.263}
{0 CHEMBL2064336,1 1.782,2 10.083,3 1.975,4 3.899,5 89.504,6 8.645,7 0.37,8 3.837,9 3.951,10 3.531,11 3.342,12 4.944,13 3.356,14 4.389,15 4.55,16 3.924,17 3.736,18 5.524,19 3.73,20 4.608,21 4.816,22 3.881,23 3.828,24 5.664,25 3.783,26 4.543,27 4.769,28 3.806,29 3.76,30 5.609,31 3.678,32 4.464,33 4.691,34 3.731,35 3.634,36 5.525,37 3.585,38 4.412,39 4.615,40 3.644,41 3.575,42 5.568,43 3.525,44 4.372,45 4.596,46 3.546,47 3.455,48 5.534,49 3.411,50 4.19,51 4.432,52 3.449,53 3.334,54 5.239,55 3.282,56 0.102,57 0.64,58 6.519,59 3.173,60 6.978,61 3.871,62 0.379,63 1.013,64 14.508,65 5.542,66 24,67 6.869,68 0.59,69 1.15,70 23.177,71 6.495,72 42.547,73 8.313,74 0.499,75 1.076,76 21.372,77 7.209,78 39.484,79 9.952,80 0.45,81 0.965,82 19.523,83 5.946,84 38.292,85 8.119,86 0.476,87 0.895,88 18.334,89 6.123,90 48.515,91 7.855,92 0.583,93 0.816,94 20.44,95 5.34,96 56.022,97 6.955,98 0.401,99 0.694,100 16.608,101 4.504,102 30.513,103 6.183,104 5,105 38,106 0.314,107 0.709,108 0.82,109 0.841,110 0.841,111 0.841,112 3.229,113 0.902,114 -3.7,115 -3.67,116 -3.49,119 40,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 1,175 6,178 3,180 4,183 3,186 1,187 1,192 2,195 2,198 3,199 4,202 3,203 1,207 3,211 1,212 1,217 1,220 1,223 2,224 3,227 2,229 3,232 1,236 1,237 2,240 1,242 1,250 5,255 1,258 2,262 1,263 2,266 1,271 1,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 19.341,283 9.716,284 16.949,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 22.818,292 4.729,293 14.432,294 3.54,295 1.299,296 0.669,297 0.55,298 0.55,299 0.55,300 3.929,301 1,303 1,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 25.618,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.833,331 242,332 4.49,333 3.581,334 6.274,335 3.981,336 3.031,337 4.434,338 1.528,339 9.6,340 2.876,341 4.253,342 3.18,343 6.199,344 3.869,345 2.929,346 3.632,347 1.005,348 9.312,349 2.754,350 3.746,351 3.107,352 5.532,353 3.436,354 2.5,355 3.139,356 0.864,357 7.474,358 2.333,359 3.581,360 2.938,361 5.131,362 3.209,363 2.277,364 2.762,365 0.86,366 6.345,367 2.136,368 3.424,369 2.674,370 4.917,371 2.962,372 2.02,373 2.588,374 0.367,375 5.667,376 1.813,377 3.153,378 2.312,379 4.659,380 2.674,381 1.744,382 2.372,383 0.052,384 4.943,385 1.592,386 3.004,387 2.06,388 4.396,389 2.584,390 1.664,391 2.228,393 4.268,394 1.517,395 2.885,396 1.534,397 4.341,398 2.471,399 1.51,400 1.874,402 4.202,403 1.441,404 2.213,405 1.511,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.723,424 3.159,425 1.394,426 0.473,427 0.689,428 1.187,429 0.42,430 1.318,431 0.668,432 2.964,433 0.909,434 -0.046,435 -0.053,436 -0.137,437 -0.043,438 1.083,439 0.336,440 2.56,441 0.626,442 -0.386,443 -0.499,445 -0.989,446 -0.291,447 0.873,448 0.053,449 2.378,450 0.43,451 -0.435,452 -0.545,454 -1.12,455 -0.379,456 0.629,457 -0.207,458 2.272,459 0.348,460 -0.577,461 -0.71,463 -1.393,464 -0.549,465 11.381,466 0.474,467 0.588,468 0.025,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 18.818,476 0.784,477 25.819,478 0.645,479 20.617,480 0.859,481 6.047,482 0.252,483 5.623,484 0.234,485 0.092,487 0.343,493 0.82,494 1.517,495 0.582,496 1.035,497 0.585,498 0.884,499 0.973,500 1.199,501 0.709,502 0.916,503 0.599,504 0.894,505 1.298,506 1.001,507 1.085,508 0.84,509 1.091,510 0.933,511 0.495,512 0.932,513 0.814,514 1.049,515 0.614,516 1.073,517 0.923,518 1.069,519 0.746,520 0.907,521 1.106,522 0.918,523 1.052,524 1.087,525 0.872,526 1.067,527 1.49,528 1.073,529 1.292,530 0.966,531 1.033,532 0.862,533 1.72,534 0.897,535 1.006,536 0.822,537 0.75,538 0.749,539 0.744,540 0.771,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 21057,553 2.161,554 40,556 12,559 2,560 2,564 1.668,565 2.057,566 3.33,567 0.378,568 1,569 1,571 1,573 71.267,574 1.782,575 4.023,576 4.653,577 4.772,578 4.772,579 4.772,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,587 1,588 1,590 1,591 212.877,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.101,610 -0.301,611 0.026,612 -0.095,613 -0.043,614 -0.01,615 -0.033,616 -0.081,617 0.021,618 0.003,619 0.068,620 -0.007,621 -0.293,622 0.048,623 -0.181,624 0.073,625 -0.191,626 -0.024,627 0.24,628 0.077,629 0.042,630 -0.096,631 0.135,632 -0.085,633 -0.029,634 -0.073,635 0.075,636 0.013,637 -0.075,638 0.041,639 0.01,640 -0.121,641 -0.048,642 -0.124,643 -0.037,644 -0.12,645 -0.09,646 -0.027,647 -0.067,648 0.063,649 -0.139,650 0.045,651 -0.043,652 0.131,653 0.158,654 0.187,655 0.057,656 0.211,657 1.833,658 4.959,659 0.875,660 19.417,661 1.02,662 1.134,663 2.474,664 6.122,665 0.684,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.663,678 345.82,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 12.5,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,706 1,709 2,711 10,730 1,731 40,733 13,734 1,735 27,737 43,738 16,739 7,740 3,741 3,742 4,746 4,747 5,748 1,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 16,782 6,783 2,784 8,785 1,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,845 1,848 24,854 5,855 1,856 1,859 1,869 1,870 5,873 1,874 1,877 11.667,878 7.16,879 5.139,880 2.368,881 2.699,882 1.366,883 1.021,884 4.267,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.862,900 3.828,901 7.782,902 16.865,904 13.983,905 2.282,906 54.778,910 164.795,911 73.313,912 71.492,913 39.149,914 36.145,917 73.313,918 240.089,919 71.492,921 33.941,922 37.905,923 62.291,924 44.668,925 2.144,926 164.795,927 39.149,928 164.795,929 144.805,930 36.145,931 39.149,933 164.795,934 25.145,935 11,937 75.109,938 43.434,939 65.41,941 164.795,942 107.636,943 112.462,946 164.795,947 35.408,948 41.029,949 34.796,950 108.865,951 164.795,952 107.636,953 112.462,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.07,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.633,975 6.551,976 3.485,977 1.699,978 90.851,979 5.497,980 4.505,981 3.224,984 1.371,986 34.796,987 384.894,988 35,993 11.959,995 1.521,996 4.569,997 1.089,999 40.789,1000 45.346,1001 0.335,1002 0.756,1003 0.874,1004 0.897,1005 0.897,1006 0.897,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.208,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.68,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.659,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 5.916,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.375,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.023,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.249,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.095,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.215,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.16,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.232,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.225,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.278,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.295,1133 6373,1134 11324,1135 18.493,1136 27.364,1137 40.915,1138 41.901,1139 41.066,1140 40.51,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 37.524,1146 5.49,1147 5.581,1148 6.076,1149 5.084,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.876,1155 8.805,1156 1.515,1157 1.552,1158 1.521,1159 1.5,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.39,1165 4.109,1166 4.152,1167 4.128,1168 3.99,1169 7.43,1170 4.004,1171 3.888,1172 3.937,1173 3.848,1174 3.698,1175 5.105,1176 3.725,1177 3.664,1178 3.714,1179 3.667,1180 3.458,1181 4.774,1182 3.472,1183 3.44,1184 3.48,1185 3.534,1186 3.291,1187 4.69,1188 3.302,1189 3.111,1190 3.206,1191 3.122,1192 2.941,1193 4.568,1194 2.918,1195 3.067,1196 3.119,1197 2.879,1198 2.916,1199 4.019,1200 2.91,1201 2.944,1202 2.992,1203 2.866,1204 2.783,1205 3.887,1206 2.776,1207 2.911,1208 2.973,1209 2.841,1210 2.594,1211 3.72,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.147,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 3.981,1225 0.107,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.876,1231 1.905,1232 1.882,1233 1.972,1234 2.03,1235 1.209,1236 2.009,1237 1.807,1238 1.759,1239 1.949,1240 1.991,1241 1.098,1242 1.991,1243 1.626,1244 1.569,1245 1.801,1246 1.863,1247 0.98,1248 1.848,1249 1.426,1250 1.378,1251 1.564,1252 1.665,1253 0.825,1254 1.636,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.635,1260 1.429,1261 0.993,1262 0.941,1263 1.2,1264 1.218,1265 0.276,1266 1.222,1267 0.925,1268 0.878,1269 1.105,1270 1.15,1271 0.203,1272 1.117,1273 0.777,1274 0.72,1275 1.065,1276 1.096,1277 0.174,1278 1.103,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1290 5.986,1295 3.181,1296 2.78,1297 5.339,1300 2.056,1305 26.525,1306 71.267,1307 160.903,1308 186.122,1309 190.877,1310 190.877,1311 190.877,1312 33.261,1313 7.384,1314 86.9,1315 86.9,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 164.479,1325 283.43,1326 393.09,1327 16112,1328 2.5,1329 16.518,1330 0.688,1331 0.568,1332 17.018,1333 13.637,1334 11.67,1335 0.432,1336 0.301,1337 7.628,1338 10.796,1339 7.494,1340 6.095,1341 11.959,1342 8.121,1343 10.848,1344 0.285,1345 0.161,1346 11.256,1347 6.108,1348 8.734,1349 0.178,1350 0.085,1351 8.996,1352 4.176,1353 7.762,1354 0.116,1355 0.044,1356 7.997,1357 2.973,1358 6.233,1359 0.075,1360 0.024,1361 6.484,1362 2.01,1363 0.304,1364 76.98,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 413.276,1370 161.408,1371 422.347,1372 567.38,1373 396,1374 152,1375 394.093,1376 177.373,1377 403.551,1378 592.53,1379 381,1380 5.248}
{0 CHEMBL2064337,1 1.617,2 10.083,3 1.796,4 3.227,5 89.741,6 7.568,7 0.37,8 3.891,9 4.016,10 3.48,11 3.374,12 4.961,13 3.38,14 4.449,15 4.628,16 3.849,17 3.762,18 5.523,19 3.749,20 4.653,21 4.867,22 3.801,23 3.863,24 5.665,25 3.813,26 4.646,27 4.892,28 3.716,29 3.821,30 5.628,31 3.723,32 4.554,33 4.798,34 3.639,35 3.684,36 5.557,37 3.624,38 4.478,39 4.691,40 3.602,41 3.617,42 5.596,43 3.561,44 4.43,45 4.669,46 3.487,47 3.491,48 5.533,49 3.439,50 4.298,51 4.565,52 3.304,53 3.394,54 5.236,55 3.322,56 0.051,57 0.688,58 8.759,59 3.486,60 4.667,61 4.742,62 0.317,63 1.089,64 17.604,65 5.908,66 22.945,67 8.227,68 0.447,69 1.251,70 22.945,71 6.549,72 33.779,73 9.628,74 0.412,75 1.202,76 23.288,77 7.944,78 35.084,79 11.749,80 0.362,81 1.071,82 21.619,83 6.105,84 34.057,85 9.306,86 0.407,87 0.977,88 19.573,89 6.082,90 42.723,91 8.608,92 0.475,93 0.886,94 19.716,95 5.285,96 47.723,97 7.879,98 0.284,99 0.786,100 17.507,101 4.948,102 26.112,103 7.531,104 5,105 38,106 0.281,107 0.673,108 0.816,109 0.835,110 0.835,111 0.835,112 3.229,113 0.895,114 -3.44,115 -3.42,116 -3.27,119 39.5,120 1,121 1,125 4,135 1,139 1,142 3,143 1,146 1,152 1,158 2,161 1,172 4,174 1,175 6,178 3,180 4,183 4,186 1,187 2,192 2,195 2,198 3,199 4,202 3,203 1,204 1,207 3,211 1,212 1,217 1,220 2,223 2,224 3,227 2,229 3,232 1,236 1,237 3,240 1,242 2,250 5,255 1,258 2,262 1,263 4,266 1,271 2,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 20.166,283 9.716,284 16.813,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 23.648,292 4.729,293 14.164,294 3.809,295 1.555,296 0.733,297 0.622,298 0.622,299 0.622,300 3.929,303 1,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 22.625,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 242,332 4.49,333 3.581,334 6.274,335 3.987,336 3.031,337 4.434,338 1.528,339 9.6,340 2.903,341 4.253,342 3.17,343 6.199,344 3.87,345 2.929,346 3.632,347 1.005,348 9.312,349 2.758,350 3.746,351 3.084,352 5.532,353 3.445,354 2.5,355 3.139,356 0.864,357 7.474,358 2.36,359 3.581,360 2.864,361 5.131,362 3.255,363 2.277,364 2.762,365 0.86,366 6.345,367 2.217,368 3.424,369 2.451,370 4.917,371 3.017,372 2.02,373 2.588,374 0.367,375 5.667,376 2.005,377 3.153,378 2.293,379 4.659,380 2.683,381 1.744,382 2.372,383 0.052,384 4.943,385 1.633,386 3.004,387 2.01,388 4.396,389 2.589,390 1.664,391 2.228,393 4.268,394 1.527,395 2.885,396 1.534,397 4.341,398 2.474,399 1.51,400 1.874,402 4.202,403 1.451,404 2.213,405 1.509,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.721,424 3.159,425 1.426,426 0.473,427 0.689,428 1.187,429 0.45,430 1.318,431 0.543,432 2.964,433 0.914,434 -0.046,435 -0.053,436 -0.137,437 -0.044,438 1.083,439 0.336,440 2.56,441 0.629,442 -0.386,443 -0.499,445 -0.989,446 -0.377,447 0.873,448 -0.185,449 2.378,450 0.538,451 -0.435,452 -0.545,454 -1.12,455 -0.422,456 0.629,457 -0.21,458 2.272,459 0.386,460 -0.577,461 -0.71,463 -1.393,464 -0.563,465 11.167,466 0.465,467 0.588,468 0.025,469 29.5,470 1.229,471 12.5,472 0.521,473 17,474 0.708,475 18.914,476 0.788,477 26.033,478 0.605,479 20.521,480 0.855,481 6.015,482 0.251,483 5.655,484 0.236,485 0.075,487 0.349,493 0.855,494 1.522,495 0.756,496 1.172,497 0.613,498 0.972,499 1.001,500 1.161,501 0.853,502 0.98,503 0.607,504 0.909,505 1.301,506 1.063,507 1.174,508 0.929,509 1.104,510 0.999,511 0.458,512 0.96,513 0.892,514 1.083,515 0.59,516 1.069,517 1.057,518 1.055,519 0.986,520 0.939,521 1.196,522 0.931,523 1.164,524 1.097,525 1.086,526 1.121,527 1.584,528 1.104,529 1.268,530 0.993,531 1.023,532 0.878,533 1.738,534 0.898,535 1.088,536 0.866,537 0.874,538 0.754,539 0.756,540 0.762,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 17415,553 2.161,554 44.2,555 3,556 12,559 2,560 2,564 1.668,565 2.057,566 3.33,567 0.337,568 1,569 1,571 1,573 69.522,574 1.617,575 3.871,576 4.693,577 4.804,578 4.804,579 4.804,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,588 1,590 1,591 233.329,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.073,610 -0.288,611 0.065,612 -0.105,613 -0.043,614 -0.01,615 0.026,616 -0.045,617 0.066,618 0.012,619 0.088,620 0.031,621 -0.25,622 0.013,623 -0.219,624 0.01,625 -0.185,626 -0.078,627 0.255,628 0.037,629 0.057,630 -0.096,631 0.139,632 -0.07,633 -0.087,634 -0.053,636 -0.003,637 -0.103,638 0.019,639 0.018,640 -0.099,641 -0.103,642 -0.159,643 -0.017,644 -0.161,645 0.002,646 -0.044,647 0.008,648 0.043,649 -0.066,650 0.035,651 -0.118,652 0.062,653 0.142,654 0.191,655 0.032,656 0.218,657 1.812,658 4.977,659 0.875,660 19.417,661 1.008,662 1.135,663 2.206,664 4.867,665 0.657,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.633,678 325.41,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 11.6,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,706 1,709 2,711 10,731 43,733 13,734 1,735 27,737 46,738 17,739 7,740 3,741 3,742 4,746 4,747 5,752 1,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 19,782 6,783 2,784 7,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 1,856 1,859 1,870 4.7,873 1,874 1,877 11.667,878 8.017,879 5.139,880 2.582,881 2.699,882 1.366,883 1.017,884 4.085,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.881,900 3.809,901 7.694,902 17.079,904 14.149,905 2.194,906 52.667,910 200.109,911 81.823,912 71.492,914 36.145,917 81.823,918 236.254,919 71.492,920 8.825,921 33.941,922 37.905,923 62.291,924 44.353,925 2.144,926 200.109,928 200.109,929 153.315,930 36.145,933 200.109,934 25.145,935 11,937 83.934,938 43.119,939 26.262,941 200.109,942 107.636,943 81.823,946 200.109,947 35.093,948 49.855,949 34.796,950 69.716,951 200.109,952 107.636,953 81.823,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.065,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.364,975 6.381,976 3.377,977 1.916,978 90.851,979 6.098,980 4.589,981 3.283,984 1.958,986 34.796,987 389.568,988 35,993 11.977,995 1.539,996 4.595,997 1.164,999 43.349,1000 48.817,1001 0.298,1002 0.713,1003 0.865,1004 0.885,1005 0.885,1006 0.885,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.243,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.767,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.714,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 6.005,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.443,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.11,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.325,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.183,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.298,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.252,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.325,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.325,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.382,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.406,1133 6373,1134 10310,1135 18.493,1136 28.267,1137 40.915,1138 41.623,1139 41.066,1140 40.359,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 38.37,1146 5.49,1147 5.581,1148 6.076,1149 5.091,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.903,1155 8.805,1156 1.515,1157 1.542,1158 1.521,1159 1.495,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.421,1165 4.116,1166 4.159,1167 4.079,1168 3.997,1169 7.43,1170 4.011,1171 3.889,1172 3.938,1173 3.835,1174 3.699,1175 5.061,1176 3.726,1177 3.668,1178 3.72,1179 3.562,1180 3.467,1181 4.75,1182 3.48,1183 3.499,1184 3.555,1185 3.406,1186 3.328,1187 4.577,1188 3.343,1189 3.152,1190 3.215,1191 3.028,1192 3.004,1193 4.352,1194 2.997,1195 3.111,1196 3.206,1197 2.874,1198 2.941,1199 3.903,1200 2.91,1201 2.946,1202 3.015,1203 2.866,1204 2.797,1205 3.877,1206 2.794,1207 2.938,1208 2.985,1209 2.817,1210 2.596,1211 3.568,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.148,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 3.987,1225 0.108,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.903,1231 1.935,1232 1.907,1233 2.037,1234 2.034,1235 1.209,1236 2.033,1237 1.807,1238 1.759,1239 1.95,1240 2.02,1241 1.16,1242 2.004,1243 1.627,1244 1.569,1245 1.803,1246 1.865,1247 0.984,1248 1.85,1249 1.433,1250 1.383,1251 1.592,1252 1.676,1253 0.825,1254 1.649,1255 1.231,1256 1.161,1257 1.513,1258 1.439,1259 0.656,1260 1.47,1261 1.153,1262 1.064,1263 1.512,1264 1.376,1265 0.607,1266 1.429,1267 0.952,1268 0.892,1269 1.175,1270 1.186,1271 0.234,1272 1.185,1273 0.797,1274 0.724,1275 1.085,1276 1.14,1277 0.2,1278 1.108,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1289 2.04,1295 3.278,1296 2.806,1297 5.35,1300 2.074,1305 27.224,1306 69.522,1307 166.469,1308 201.82,1309 206.574,1310 206.574,1311 206.574,1312 31.93,1313 7.384,1314 86.9,1315 86.9,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 165.739,1325 285.52,1326 396.163,1327 16112,1329 16.518,1330 0.688,1331 0.563,1332 16.518,1333 13.503,1334 11.67,1335 0.432,1336 0.298,1337 7.909,1338 11.105,1339 7.737,1340 6.353,1341 11.67,1342 8.054,1343 10.848,1344 0.285,1345 0.159,1346 10.848,1347 6.031,1348 8.734,1349 0.178,1350 0.084,1351 8.734,1352 4.135,1353 7.762,1354 0.116,1355 0.044,1356 7.762,1357 2.943,1358 6.233,1359 0.075,1360 0.024,1361 6.233,1362 1.984,1363 0.304,1364 73.804,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 387.072,1370 145.889,1371 369.111,1372 508.58,1373 348,1374 152,1375 377.23,1376 167.615,1377 378.758,1378 555.39,1379 357,1380 5.005}
{0 CHEMBL2064338,1 1.674,2 10.76,3 1.294,4 1.674,5 91.163,6 7.759,7 0.357,8 3.924,9 4.041,10 3.53,11 3.371,12 5.026,13 3.394,14 4.479,15 4.649,16 3.886,17 3.745,18 5.58,19 3.754,20 4.657,21 4.862,22 3.855,23 3.849,24 5.697,25 3.824,26 4.642,27 4.865,28 3.784,29 3.838,30 5.68,31 3.759,32 4.615,33 4.856,34 3.714,35 3.732,36 5.623,37 3.674,38 4.538,39 4.754,40 3.669,41 3.652,42 5.655,43 3.606,44 4.47,45 4.699,46 3.539,47 3.512,48 5.592,49 3.477,50 4.312,51 4.561,52 3.372,53 3.415,54 5.298,55 3.353,56 0.092,57 0.693,58 8.71,59 3.518,60 6.352,61 4.636,62 0.438,63 1.076,64 18.077,65 5.794,66 28.316,67 7.8,68 0.563,69 1.227,70 22.817,71 6.284,72 37.841,73 9.028,74 0.499,75 1.197,76 22.325,77 7.793,78 37.814,79 11.206,80 0.467,81 1.105,82 22.919,83 6.694,84 38.253,85 10.151,86 0.504,87 1.011,88 20.852,89 6.3,90 49.05,91 8.972,92 0.596,93 0.906,94 20.359,95 5.1,96 52.927,97 7.545,98 0.415,99 0.782,100 17.471,101 4.966,102 30.076,103 7.451,104 6,105 39,106 0.29,107 0.681,108 0.82,109 0.839,110 0.839,111 0.839,112 3.267,113 0.875,114 -2.96,115 -2.96,116 -2.86,119 38.6,121 1,124 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 1,175 8,178 3,180 4,183 1,186 1,187 2,192 2,195 1,198 4,199 3,202 3,203 1,207 3,211 1,212 1,215 1,220 1,223 2,224 4,227 2,229 3,236 1,237 2,240 1,242 1,249 1,250 4,253 1,258 2,262 1,263 2,266 1,271 1,275 885,276 17.212,277 17.212,278 17.212,279 17.212,280 17.212,281 15.558,282 22.053,283 10.219,284 17.862,285 13.836,286 13.836,287 13.836,288 13.836,289 13.836,290 11.102,291 26.828,292 4.876,293 14.78,294 3.786,295 1.52,296 0.716,297 0.608,298 0.608,299 0.608,300 3.968,304 1,305 1,306 592,307 2.449,310 51.472,311 223.604,314 99.979,318 1.549,319 25.634,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 269,332 4.493,333 3.581,334 6.28,335 3.989,336 3.035,337 4.436,338 1.528,339 9.623,340 2.895,341 4.254,342 3.174,343 6.199,344 3.871,345 2.931,346 3.632,347 1.005,348 9.314,349 2.757,350 3.774,351 3.095,352 5.538,353 3.451,354 2.511,355 3.18,356 0.864,357 7.503,358 2.352,359 3.605,360 2.908,361 5.267,362 3.279,363 2.337,364 2.78,365 0.86,366 6.711,367 2.202,368 3.436,369 2.64,370 5.038,371 3.038,372 2.058,373 2.593,374 0.86,375 5.955,376 1.996,377 3.167,378 2.312,379 4.666,380 2.688,381 1.748,382 2.379,383 0.367,384 4.977,385 1.634,386 3.007,387 2.065,388 4.411,389 2.592,390 1.673,391 2.235,392 0.052,393 4.293,394 1.528,395 2.886,396 1.534,397 4.341,398 2.475,399 1.513,400 1.874,402 4.206,403 1.452,404 2.213,405 1.513,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2.008,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 2,423 1.103,424 3.185,425 1.55,426 0.648,427 0.831,428 1.353,429 0.578,430 1.533,431 0.721,432 2.973,433 1.162,434 0.265,435 0.337,436 0.479,437 0.236,438 1.308,439 0.426,440 2.769,441 0.897,442 -0.06,443 -0.07,445 -0.177,446 -0.058,447 1.049,448 0.335,449 2.559,450 0.625,451 -0.389,452 -0.5,454 -0.997,455 -0.378,456 0.699,457 -0.207,458 2.288,459 0.404,460 -0.551,461 -0.678,463 -1.357,464 -0.532,465 11.5,466 0.46,467 0.55,468 0.022,469 31,470 1.24,471 13,472 0.52,473 18,474 0.72,475 19.254,476 0.77,477 27.5,478 0.625,479 22.397,480 0.896,481 6.459,482 0.258,483 5.749,484 0.23,485 0.072,487 0.339,493 0.882,494 1.583,495 0.733,496 1.237,497 0.624,498 0.988,499 1.15,500 1.143,501 0.882,502 0.94,503 0.691,504 0.873,505 1.293,506 1.038,507 1.144,508 0.87,509 1.115,510 0.938,511 0.494,512 0.996,513 0.939,514 1.152,515 0.625,516 1.148,517 0.818,518 1.085,519 0.905,520 0.995,521 1.06,522 0.961,523 1.036,524 1.087,525 1.022,526 1.075,527 1.501,528 1.056,529 1.299,530 0.992,531 1.119,532 0.875,533 1.739,534 0.931,535 0.9,536 0.84,537 0.901,538 0.809,539 0.731,540 0.837,541 5.5,542 0.089,543 1.778,544 1.854,545 1.018,546 0.917,547 0.369,548 0.313,549 0.182,550 0.155,551 7611,552 21148,553 2.154,554 43.2,556 15,559 2,560 2,564 1.679,565 2.055,566 3.409,567 0.352,568 1,569 1,571 1,573 73.653,574 1.674,575 3.94,576 4.743,577 4.851,578 4.851,579 4.851,580 2.869,581 4.404,582 4.616,583 3.522,584 1056.67,585 7.975,586 12800.5,588 1,591 240.215,592 1.26,593 4.592,594 0.196,595 0.006,596 0.046,597 0.05,598 0.031,599 0.03,600 0.013,601 0.013,602 0.008,603 0.008,604 0.4,605 0.33,606 1,607 0.663,608 120.904,609 -0.089,610 -0.34,611 0.067,612 -0.156,613 -0.037,614 -0.03,615 -0.079,616 -0.035,617 0.039,618 0.048,619 0.047,620 0.055,621 -0.272,622 0.045,623 -0.196,624 0.068,625 -0.186,626 -0.021,627 0.219,628 0.045,629 -0.018,630 -0.148,631 0.114,632 -0.149,633 0.017,634 -0.098,635 0.067,636 -0.034,637 -0.049,638 0.023,639 -0.008,640 -0.096,641 -0.045,642 -0.11,643 -0.03,644 -0.097,645 -0.113,646 -0.02,647 -0.097,648 0.03,649 -0.135,650 -0.013,651 0.011,652 0.114,653 0.098,654 0.145,655 0.056,656 0.148,657 1.829,658 4.999,659 0.84,660 21.376,661 1.015,662 1.137,663 1.726,664 2.979,665 0.653,666 3.367,667 3.689,668 3.951,669 4.248,670 4.466,671 4.533,672 4.663,673 4.779,674 4.82,675 4.898,676 6.195,677 0.635,678 341.41,679 3.367,680 4.905,681 5.753,682 6.632,683 7.495,684 8.38,685 9.249,686 10.135,687 11.008,688 11.895,689 11.4,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,706 1,709 2,711 10,729 1,731 44,733 13,734 1,735 28,737 47,738 17,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 19,782 7,783 2,784 8,787 1,790 5,791 1,794 0.75,795 3,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 25,854 5,855 1,856 2,859 1,870 6.8,873 1,874 1,875 1,877 12.167,878 8.183,879 5.472,880 2.54,881 2.705,882 1.361,883 1.003,884 4.53,885 10.191,886 3.611,887 4.193,888 4.757,889 5.37,890 5.851,891 6.185,892 6.556,893 6.94,894 7.045,895 7.371,896 1,897 37,898 9.234,900 3.935,901 7.747,902 17.614,904 14.393,905 2.247,906 56.167,910 200.109,911 85.939,912 71.492,914 47.145,917 85.939,918 247.253,919 71.492,920 10.883,921 33.941,922 37.905,923 62.291,924 57.411,925 2.144,926 200.109,928 200.109,929 157.431,930 47.145,933 200.109,934 36.145,935 11,937 75.109,938 56.06,939 26.262,941 200.109,942 118.636,943 85.939,946 200.109,947 37.151,948 51.912,949 34.796,950 80.716,951 200.109,952 118.636,953 85.939,955 0.577,956 0.333,957 0.188,958 0.105,959 20,960 8,961 0.085,962 4,963 1,964 1.095,965 3.801,966 209.115,967 0.095,968 21,969 112.096,974 16.271,975 6.96,976 3.586,977 1.739,978 101.851,979 5.671,980 4.557,981 3.252,984 1.497,986 34.796,987 404.684,988 36,993 11.999,995 1.526,996 4.587,997 1.101,999 44.676,1000 50.026,1001 0.307,1002 0.722,1003 0.869,1004 0.889,1005 0.889,1006 0.889,1007 4.856,1008 1.513,1009 5.727,1010 4.293,1011 4.369,1012 4.879,1013 2.452,1014 6.512,1015 4.25,1016 6.052,1017 1.069,1018 7.261,1019 4.206,1020 3.892,1021 4.705,1022 1.048,1023 7.286,1024 3.738,1025 7.357,1026 1,1027 8.886,1028 2.608,1029 5.938,1030 7.065,1031 2.629,1032 10.378,1033 5.71,1034 8.695,1035 0.648,1036 10.565,1037 2.136,1038 6.256,1039 7.725,1040 1.926,1041 11.96,1042 5.985,1043 10.064,1044 0.265,1045 12.278,1046 1.353,1047 7.763,1048 9.572,1049 3.056,1050 14.54,1051 7.432,1052 11.454,1053 -0.06,1054 14.014,1055 0.479,1056 8.471,1057 10.647,1058 2.824,1059 16.485,1060 8.091,1061 12.862,1062 -0.389,1063 15.768,1064 -0.177,1065 9.743,1066 12.279,1067 3.662,1068 18.867,1069 9.309,1070 3.035,1071 -0.551,1072 17.535,1073 -0.997,1074 10.648,1075 13.567,1076 3.721,1077 20.979,1078 10.162,1079 2.931,1080 9.623,1081 19.312,1082 -1.357,1083 11.815,1084 15.108,1085 4.381,1086 23.28,1087 11.278,1088 2.511,1089 9.314,1090 21.099,1091 4.436,1092 12.816,1093 16.498,1094 4.604,1095 25.468,1096 12.228,1097 2.337,1098 7.503,1099 22.892,1100 3.632,1101 13.939,1102 18.002,1103 5.162,1104 27.738,1105 13.301,1106 2.058,1107 6.711,1108 24.691,1109 3.18,1110 14.988,1111 19.442,1112 5.476,1113 29.96,1114 14.298,1115 1.748,1116 5.955,1117 26.496,1118 2.78,1119 16.092,1120 20.933,1121 5.975,1122 32.217,1123 15.353,1124 1.673,1125 4.977,1126 28.304,1127 2.593,1128 17.164,1129 22.397,1130 6.339,1131 34.455,1132 16.375,1133 7155,1134 12048,1135 19.186,1136 28.722,1137 41.939,1138 42.906,1139 42.412,1140 41.45,1141 41.577,1142 52.865,1143 11.071,1144 118.314,1145 39.023,1146 5.493,1147 5.581,1148 6.082,1149 5.093,1150 5.035,1151 7.436,1152 2.695,1153 16.033,1154 4.895,1155 9.179,1156 1.498,1157 1.532,1158 1.515,1159 1.48,1160 1.485,1161 1.888,1162 0.395,1163 4.225,1164 1.394,1165 4.111,1166 4.153,1167 4.077,1168 3.982,1169 7.43,1170 4,1171 3.888,1172 3.937,1173 3.835,1174 3.697,1175 5.082,1176 3.725,1177 3.666,1178 3.716,1179 3.561,1180 3.456,1181 4.758,1182 3.472,1183 3.483,1184 3.522,1185 3.406,1186 3.285,1187 4.651,1188 3.307,1189 3.206,1190 3.27,1191 3.059,1192 2.977,1193 4.566,1194 2.986,1195 3.111,1196 3.206,1197 2.882,1198 2.941,1199 4.086,1200 2.91,1201 2.997,1202 3.071,1203 2.866,1204 2.812,1205 3.889,1206 2.811,1207 2.944,1208 2.989,1209 2.849,1210 2.723,1211 3.791,1212 2.713,1213 0.16,1214 0.128,1215 0.224,1216 0.142,1217 0.108,1218 4.493,1219 0.158,1220 3.581,1221 0.055,1222 6.28,1223 0.344,1224 3.989,1225 0.103,1226 3.035,1227 4.436,1228 1.528,1229 9.623,1230 2.895,1231 1.905,1232 1.882,1233 1.988,1234 2.031,1235 1.209,1236 2.013,1237 1.807,1238 1.759,1239 1.95,1240 2.01,1241 1.101,1242 1.999,1243 1.626,1244 1.569,1245 1.801,1246 1.864,1247 0.98,1248 1.849,1249 1.428,1250 1.379,1251 1.585,1252 1.674,1253 0.825,1254 1.643,1255 1.206,1256 1.14,1257 1.55,1258 1.516,1259 0.636,1260 1.529,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.575,1266 1.429,1267 0.963,1268 0.898,1269 1.198,1270 1.205,1271 0.269,1272 1.209,1273 0.884,1274 0.814,1275 1.104,1276 1.147,1277 0.203,1278 1.111,1279 4.043,1281 5.361,1282 2.398,1283 6.87,1284 4.727,1285 8.464,1286 6.823,1287 10.102,1289 1.626,1295 3.19,1296 2.793,1297 10.568,1300 2.061,1305 27.939,1306 73.653,1307 173.354,1308 208.705,1309 213.46,1310 213.46,1311 213.46,1312 34.174,1313 7.487,1314 96.13,1315 96.13,1316 23,1317 12.429,1318 3.807,1319 3.17,1320 35.987,1321 93,1322 96,1323 0.189,1324 169.735,1325 294.31,1326 405.914,1327 18331,1329 17.225,1330 0.689,1331 0.556,1332 17.225,1333 13.911,1334 12.208,1335 0.436,1336 0.292,1337 7.98,1338 11.486,1339 7.836,1340 6.422,1341 12.208,1342 8.167,1343 11.017,1344 0.282,1345 0.151,1346 11.017,1347 5.893,1348 9.158,1349 0.18,1350 0.082,1351 9.158,1352 4.186,1353 7.996,1354 0.116,1355 0.043,1356 7.996,1357 2.94,1358 6.418,1359 0.075,1360 0.023,1361 6.418,1362 1.96,1363 0.297,1364 78.148,1365 0.228,1366 24.318,1367 0.517,1368 134,1369 434.808,1370 152.768,1371 406.555,1372 556.38,1373 384,1374 157,1375 407.776,1376 175.272,1377 407.578,1378 596.76,1379 383,1380 5}
{0 CHEMBL2064339,1 1.895,2 11,3 2.252,4 5.073,5 90.673,6 8.823,7 0.333,8 3.921,9 4.034,10 3.61,11 3.367,12 5.109,13 3.418,14 4.508,15 4.665,16 4.077,17 3.754,18 6.155,19 3.8,20 4.682,21 4.883,22 3.984,23 3.855,24 5.909,25 3.863,26 4.701,27 4.926,28 3.929,29 3.809,30 5.973,31 3.791,32 4.603,33 4.827,34 3.875,35 3.674,36 5.927,37 3.684,38 4.515,39 4.712,40 3.838,41 3.609,42 5.872,43 3.617,44 4.465,45 4.69,46 3.626,47 3.483,48 5.712,49 3.484,50 4.357,51 4.601,52 3.48,53 3.383,54 5.564,55 3.383,56 0.259,57 0.889,58 6.306,59 3.565,60 33.35,61 3.906,62 1.094,63 1.68,64 15.818,65 6.078,66 149.367,67 6.886,68 0.876,69 1.492,70 20.592,71 6.643,72 71.756,73 8.275,74 0.989,75 1.504,76 23.112,77 8.138,78 111.18,79 9.96,80 0.958,81 1.299,82 21.352,83 6.167,84 108.665,85 8.141,86 0.847,87 1.168,88 18.062,89 6.113,90 90.353,91 7.836,92 0.909,93 0.982,94 19.611,95 5.337,96 111.813,97 6.903,98 0.827,99 0.958,100 18.819,101 5.058,102 93.303,103 6.225,104 18,105 44,106 0.329,107 0.714,108 0.816,109 0.835,110 0.835,111 0.835,112 3.34,113 0.837,114 -4.06,115 -4.01,116 -3.79,119 39.5,121 1,125 4,132 1,135 1,139 1,142 3,143 1,146 1,152 1,158 2,161 1,172 3,174 1,175 6,178 3,180 4,183 2,186 1,187 2,192 2,195 1,198 3,199 3,202 3,203 1,204 1,207 3,211 1,212 1,220 2,223 2,224 3,227 2,229 3,236 1,237 3,240 1,242 2,250 4,258 2,262 1,263 4,266 1,271 2,275 1062,276 17.814,277 17.814,278 17.814,279 17.814,280 17.814,281 16.198,282 22.195,283 10.357,284 18.536,285 14.883,286 14.883,287 14.883,288 14.883,289 14.883,290 12.217,291 26.331,292 5.016,293 16.124,294 3.531,295 1.319,296 0.733,297 0.622,298 0.622,299 0.622,300 4.034,303 1,304 1,305 1,306 646,307 3.317,310 57.694,311 246.54,314 110.29,318 1.63,319 49.065,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 297,332 4.567,333 4.461,334 7.119,335 4.206,336 3.333,337 4.451,338 3.825,339 11.71,340 2.988,341 4.301,342 3.581,343 6.249,344 3.919,345 2.987,346 3.645,347 1.528,348 9.51,349 2.774,350 4.236,351 3.165,352 6.197,353 3.837,354 2.905,355 3.576,356 1.005,357 9.301,358 2.656,359 3.676,360 3.073,361 5.526,362 3.417,363 2.478,364 2.877,365 0.864,366 7.449,367 2.317,368 3.478,369 2.832,370 5.09,371 3.131,372 2.148,373 2.619,374 0.86,375 6.18,376 2.099,377 3.257,378 2.337,379 4.702,380 2.75,381 1.798,382 2.445,383 0.367,384 5.129,385 1.686,386 3.031,387 2.181,388 4.603,389 2.618,390 1.714,391 2.286,392 0.052,393 4.693,394 1.541,395 2.904,396 1.823,397 4.376,398 2.504,399 1.554,400 1.989,402 4.222,403 1.47,404 2.854,405 1.534,406 4.34,407 2.407,408 1.465,409 1.87,411 4.129,412 1.348,413 2.213,414 1.505,415 3.491,416 1.952,417 1.069,418 1.154,420 2.608,421 0.946,422 2,423 1.256,424 3.247,425 1.949,426 1,427 1,428 2.136,429 0.934,430 1.893,431 0.721,432 3.181,433 1.353,434 0.41,435 0.604,436 1.083,437 0.385,438 1.314,439 0.51,440 2.973,441 0.905,442 -0.055,443 -0.063,445 -0.164,446 -0.052,447 1.06,448 0.51,449 2.796,450 0.625,451 -0.389,452 -0.5,454 -0.997,455 -0.378,456 0.739,457 0.467,458 2.559,459 0.409,460 -0.547,461 -0.675,463 -1.363,464 -0.528,465 12.024,466 0.445,467 0.877,468 0.032,469 31.75,470 1.176,471 12.5,472 0.463,473 19.25,474 0.713,475 22.031,476 0.816,477 30.576,478 0.711,479 26.189,480 0.97,481 6.653,482 0.246,483 6.228,484 0.231,485 0.099,486 0.042,487 0.324,490 3,493 0.668,494 1.163,495 0.611,496 1.165,497 0.574,498 0.941,499 0.602,500 0.819,501 0.722,502 0.966,503 0.38,504 0.926,505 0.837,506 0.889,507 0.986,508 0.928,509 0.608,510 0.98,511 0.809,512 0.964,513 0.97,514 1.077,515 0.855,516 1.1,517 0.828,518 0.857,519 0.916,520 0.932,521 0.839,522 0.945,523 0.698,524 0.822,525 0.865,526 1.109,527 0.793,528 1.104,529 0.942,530 0.821,531 1.022,532 0.869,533 0.972,534 0.938,535 1.154,536 0.885,537 1.07,538 0.752,539 1.004,540 0.812,541 7.5,542 0.18,543 2.667,544 2.229,545 1.258,546 1.16,547 0.562,548 0.345,549 0.28,550 0.195,551 9205,552 34146,553 2.088,554 37.2,556 12,559 2,560 2,564 1.699,565 1.94,566 3.434,567 0.377,568 1,569 1,573 81.478,574 1.895,575 4.107,576 4.693,577 4.804,578 4.804,579 4.804,580 2.89,581 4.282,582 4.728,583 3.606,584 1265.72,585 8.196,586 16301.8,588 1,590 1,591 233.329,592 1.596,593 4.673,594 0.25,595 0.009,596 0.061,597 0.054,598 0.034,599 0.033,600 0.017,601 0.013,602 0.012,603 0.008,604 0.491,605 0.5,606 1,607 0.76,608 134.307,609 -0.084,610 -0.191,611 0.028,612 -0.104,613 -0.073,614 -0.011,615 0.257,616 0.182,617 0.098,618 0.026,619 0.377,620 -0.012,621 -0.152,622 -0.108,623 -0.124,624 -0.003,625 -0.026,626 -0.025,627 -0.003,628 -0.044,629 -0.02,630 -0.095,631 -0.04,632 -0.082,633 -0.012,634 -0.011,635 0.044,636 -0.005,637 -0.027,638 0.035,639 0.095,640 -0.041,641 0.053,642 -0.161,643 0.019,644 -0.123,645 -0.102,646 -0.087,647 -0.031,648 0.037,649 -0.114,650 0.048,651 -0.224,652 -0.007,653 -0.029,654 0.187,655 -0.137,656 0.199,657 5.674,658 4.962,659 0.778,660 24.444,661 1.044,662 1.159,663 2.829,664 8.001,665 0.653,666 3.434,667 3.807,668 4.025,669 4.304,670 4.533,671 4.635,672 4.787,673 4.89,674 4.942,675 5.024,676 6.581,677 0.66,678 379.38,679 3.434,680 5.004,681 5.849,682 6.746,683 7.61,684 8.508,685 9.38,686 10.277,687 11.153,688 12.05,689 11.6,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,706 1,709 2,711 10,731 43,733 13,734 1,735 30,737 46,738 17,739 7,740 3,741 3,742 4,746 4,747 5,752 1,757 1,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 3,781 16,782 9,783 2,784 10,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,846 3,848 27,854 5,855 1,856 1,859 1,860 1,869 3,870 4.7,873 1,874 1,877 13.917,878 7.695,879 5.639,880 2.502,881 2.712,882 1.354,883 1.017,884 4.663,885 10.378,886 3.664,887 4.266,888 4.807,889 5.411,890 5.908,891 6.284,892 6.691,893 7.06,894 7.195,895 7.516,896 1,897 41,898 10.447,900 5.016,901 8.312,902 18.327,904 15.243,905 2.812,906 75.917,910 164.795,911 80.757,912 71.492,914 36.145,915 44.88,917 80.757,918 200.94,919 116.372,921 33.941,922 37.905,923 62.291,924 89.233,925 2.144,926 164.795,927 7.76,928 164.795,929 152.249,930 81.025,933 164.795,934 70.025,935 11,937 82.868,938 43.119,939 26.262,941 209.676,942 107.636,943 80.757,946 172.555,947 35.093,948 41.029,949 34.796,950 114.596,951 164.795,952 152.517,953 80.757,955 0.597,956 0.327,957 0.173,958 0.097,959 23,960 10,961 0.065,962 3,963 1,964 1.095,965 3.886,966 234.172,967 0.095,968 21,969 119.627,974 18.021,975 6.986,976 3.994,977 0.705,978 135.731,979 3.341,980 4.203,981 2.967,984 -0.333,986 34.796,987 398.07,988 38,993 11.962,995 1.42,996 4.454,997 0.642,999 44.887,1000 49.836,1001 0.349,1002 0.757,1003 0.865,1004 0.885,1005 0.885,1006 0.885,1007 4.945,1008 1.554,1009 5.883,1010 4.693,1011 4.489,1012 4.952,1013 3.4,1014 6.727,1015 4.341,1016 6.175,1017 1.465,1018 7.468,1019 4.222,1020 4.29,1021 4.902,1022 3.94,1023 7.84,1024 3.991,1025 7.509,1026 1.069,1027 9.159,1028 4.129,1029 6.168,1030 7.152,1031 5.471,1032 10.844,1033 5.857,1034 8.873,1035 1,1036 10.915,1037 2.608,1038 6.735,1039 7.878,1040 6.697,1041 12.754,1042 6.255,1043 10.267,1044 0.41,1045 12.714,1046 2.136,1047 8.158,1048 9.672,1049 8.064,1050 15.345,1051 7.649,1052 11.682,1053 -0.055,1054 14.543,1055 1.083,1056 9.061,1057 10.777,1058 9.39,1059 17.569,1060 8.394,1061 13.112,1062 -0.389,1063 16.394,1064 -0.164,1065 10.316,1066 12.382,1067 10.735,1068 20.038,1069 9.591,1070 3.333,1071 -0.547,1072 18.264,1073 -0.997,1074 11.368,1075 13.678,1076 12.074,1077 22.389,1078 10.502,1079 2.987,1080 11.71,1081 20.147,1082 -1.363,1083 12.562,1084 15.205,1085 13.417,1086 24.828,1087 11.617,1088 2.905,1089 9.51,1090 22.043,1091 4.451,1092 13.68,1093 16.595,1094 14.758,1095 27.232,1096 12.607,1097 2.478,1098 9.301,1099 23.947,1100 3.645,1101 14.856,1102 18.091,1103 16.1,1104 29.669,1105 13.689,1106 2.148,1107 7.449,1108 25.86,1109 3.576,1110 16.006,1111 19.53,1112 17.441,1113 32.097,1114 14.718,1115 1.798,1116 6.18,1117 27.78,1118 2.877,1119 17.179,1120 21.016,1121 18.783,1122 34.539,1123 15.788,1124 1.714,1125 5.129,1126 29.705,1127 2.619,1128 18.344,1129 22.479,1130 20.124,1131 36.98,1132 16.837,1133 8743,1134 17042,1135 19.879,1136 28.08,1137 46.516,1138 45.923,1139 45.923,1140 45.845,1141 45.721,1142 57.029,1143 17.002,1144 136.298,1145 42.288,1146 5.567,1147 6.461,1148 6.921,1149 5.31,1150 5.333,1151 7.451,1152 5.335,1153 18.733,1154 4.988,1155 13.567,1156 1.551,1157 1.531,1158 1.531,1159 1.528,1160 1.524,1161 1.901,1162 0.567,1163 4.543,1164 1.41,1165 4.12,1166 4.162,1167 4.09,1168 3.997,1169 8.513,1170 4.014,1171 3.889,1172 3.939,1173 3.838,1174 3.699,1175 7.999,1176 3.727,1177 3.674,1178 3.725,1179 3.598,1180 3.466,1181 7.999,1182 3.484,1183 3.55,1184 3.594,1185 3.518,1186 3.326,1187 7.43,1188 3.358,1189 3.217,1190 3.262,1191 3.162,1192 3,1193 5.051,1194 3.026,1195 3.111,1196 3.206,1197 2.897,1198 2.941,1199 4.748,1200 2.91,1201 2.963,1202 3.03,1203 2.866,1204 2.797,1205 4.576,1206 2.799,1207 2.943,1208 2.987,1209 2.86,1210 2.596,1211 4.25,1212 2.659,1213 0.152,1214 0.149,1215 0.237,1216 0.14,1217 0.111,1218 4.567,1219 0.148,1220 4.461,1221 0.128,1222 7.119,1223 0.39,1224 4.206,1225 0.1,1226 3.333,1227 4.451,1228 3.825,1229 11.71,1230 2.988,1231 1.926,1232 1.902,1233 2.001,1234 2.035,1235 1.209,1236 2.022,1237 1.807,1238 1.759,1239 1.95,1240 2.021,1241 1.133,1242 2.002,1243 1.626,1244 1.569,1245 1.802,1246 1.865,1247 0.982,1248 1.85,1249 1.43,1250 1.382,1251 1.568,1252 1.677,1253 0.825,1254 1.642,1255 1.153,1256 1.108,1257 1.513,1258 1.458,1259 0.636,1260 1.429,1261 1.143,1262 1.064,1263 1.25,1264 1.376,1265 0.349,1266 1.365,1267 0.949,1268 0.891,1269 1.132,1270 1.188,1271 0.21,1272 1.173,1273 0.785,1274 0.722,1275 1.071,1276 1.14,1277 0.192,1278 1.108,1279 4.111,1281 5.468,1282 2.398,1283 7.002,1284 4.727,1285 8.614,1286 6.823,1287 10.267,1291 38.501,1295 2.578,1296 2.651,1297 5.294,1300 1.955,1301 -4.424,1305 28.374,1306 81.478,1307 176.6,1308 201.82,1309 206.574,1310 206.574,1311 206.574,1312 55.488,1313 7.666,1314 86.9,1315 86.9,1316 23,1317 12.578,1318 3.807,1319 3.17,1320 40.313,1321 108,1322 95,1323 0.184,1324 169.333,1325 303.73,1326 404.934,1327 22775,1328 7,1329 19.018,1330 0.704,1331 0.524,1332 16.518,1333 14.137,1334 12.881,1335 0.429,1336 0.279,1337 8.15,1338 12.02,1339 8.1,1340 6.557,1341 11.67,1342 8.371,1343 12.806,1344 0.291,1345 0.142,1346 10.848,1347 6.24,1348 9.697,1349 0.176,1350 0.078,1351 8.734,1352 4.307,1353 8.314,1354 0.114,1355 0.041,1356 7.762,1357 3.01,1358 6.686,1359 0.073,1360 0.022,1361 6.233,1362 2.012,1363 0.291,1364 83.322,1365 0.224,1366 25.956,1367 0.501,1368 148,1369 663.405,1370 180.906,1371 548.764,1372 716.06,1373 510,1374 173,1375 501.23,1376 199.091,1377 481.859,1378 727.86,1379 453,1380 5}
{0 CHEMBL2064340,1 1.591,2 9.48,3 1.865,4 3.477,5 94.344,6 7.379,7 0.357,8 3.948,9 4.075,10 3.52,11 3.425,12 4.995,13 3.425,14 4.518,15 4.706,16 3.882,17 3.807,18 5.554,19 3.79,20 4.733,21 4.963,22 3.887,23 3.931,24 5.696,25 3.886,26 4.709,27 4.931,28 3.847,29 3.96,30 5.7,31 3.871,32 4.745,33 4.983,34 3.774,35 3.908,36 5.704,37 3.82,38 4.732,39 4.974,40 3.738,41 3.834,42 5.758,43 3.747,44 4.648,45 4.908,46 3.637,47 3.682,48 5.693,49 3.614,50 4.46,51 4.714,52 3.445,53 3.563,54 5.444,55 3.491,56 0.031,57 0.728,58 9.7,59 3.787,60 5.084,61 5.287,62 0.324,63 1.157,64 19.538,65 6.187,66 24.84,67 8.923,68 0.47,69 1.342,70 25.795,71 7.017,72 34.286,73 10.733,74 0.394,75 1.343,76 24.077,77 8.504,78 32.723,79 12.392,80 0.335,81 1.306,82 25.906,83 8.086,84 35.275,85 12.229,86 0.449,87 1.226,88 26.282,89 8.142,90 48.747,91 12.042,92 0.52,93 1.09,94 25.036,95 6.565,96 52.25,97 10.21,98 0.338,99 0.918,100 20.451,101 5.75,102 34.711,103 8.61,104 6,105 39,106 0.273,107 0.63,108 0.782,109 0.832,110 0.84,111 0.84,112 3.268,113 0.923,114 -3.67,115 -3.64,116 -3.47,119 39.1,120 1,121 1,125 5,135 1,139 1,142 4,146 1,152 1,158 2,161 1,172 3,174 2,175 9,178 2,180 2,183 2,186 1,187 4,195 1,198 4,199 5,202 3,207 5,211 1,212 1,220 4,223 4,224 5,229 3,232 1,236 1,237 3,240 1,242 2,250 6,258 3,262 2,263 4,271 2,275 859,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 15.615,282 20.652,283 10.323,284 17.865,285 13.824,286 13.824,287 13.824,288 13.824,289 13.824,290 11.066,291 23.091,292 4.862,293 14.671,294 3.933,295 1.847,296 0.962,297 0.669,298 0.625,299 0.625,300 3.968,303 1,304 1,305 1,306 522,307 2.449,310 50.296,311 217.2,314 99.192,318 1.421,319 22.247,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 237,332 4.628,333 3.586,334 6.75,335 4.138,336 3.197,337 4.572,338 1.528,339 11.064,340 3.012,341 4.253,342 3.306,343 6.201,344 3.874,345 2.937,346 3.631,347 1.005,348 9.323,349 2.757,350 3.711,351 3.122,352 5.642,353 3.424,354 2.481,355 3.061,356 0.864,357 7.568,358 2.332,359 3.539,360 2.863,361 5.366,362 3.191,363 2.213,364 2.696,365 0.86,366 6.703,367 2.158,368 3.376,369 2.339,370 4.916,371 2.909,372 1.936,373 2.559,374 0.367,375 5.546,376 1.869,377 3.146,378 2.225,379 4.687,380 2.659,381 1.734,382 2.413,383 0.052,384 4.917,385 1.605,386 2.899,387 1.859,388 4.344,389 2.596,390 1.663,391 1.986,393 4.215,394 1.538,395 2.823,396 1.536,397 3.691,398 2.335,399 1.35,400 1.87,402 2.972,403 1.327,404 2.303,405 1.39,406 3.581,407 1.989,408 1.075,409 1.248,411 2.61,412 0.983,413 2.212,414 1.256,415 3.49,416 1.952,417 1,418 1.15,420 2.281,421 0.946,422 2,423 1.128,424 3.247,425 1.94,426 1,427 1,428 2.136,429 0.928,430 1.534,431 0.72,432 2.97,433 1.194,434 0.232,435 0.295,436 0.425,437 0.222,438 1.287,439 0.338,440 2.641,441 0.911,442 -0.054,443 -0.061,445 -0.132,446 -0.052,447 1.045,448 0.206,449 2.555,450 0.627,451 -0.388,452 -0.5,454 -0.992,455 -0.378,456 0.677,457 -0.207,458 2.313,459 0.415,460 -0.54,461 -0.656,463 -1.326,464 -0.523,465 11.667,466 0.467,467 0.516,468 0.021,469 30.25,470 1.21,471 12.5,472 0.5,473 17.75,474 0.71,475 20.761,476 0.83,477 27.333,478 0.594,479 21.624,480 0.865,481 6.109,482 0.244,483 6.133,484 0.245,485 0.071,487 0.326,493 0.829,494 1.62,495 0.767,496 1.244,497 0.594,498 1.028,499 1.058,500 1.183,501 0.89,502 0.978,503 0.628,504 0.917,505 1.305,506 0.95,507 1.046,508 0.759,509 1.032,510 0.825,511 0.535,512 1.024,513 1.003,514 1.153,515 0.638,516 1.154,517 0.92,518 1.157,519 1.039,520 1.106,521 1.069,522 1.085,523 0.99,524 1.06,525 0.998,526 1.067,527 1.366,528 1.046,529 1.181,530 0.931,531 0.968,532 0.825,533 1.521,534 0.842,535 1.357,536 0.83,537 1.021,538 0.78,539 1.273,540 0.825,541 4.5,542 0.039,543 2.222,544 2.139,545 1.112,546 0.809,547 0.402,548 0.388,549 0.238,550 0.126,551 7203,552 18036,553 2.154,554 45.7,556 15,559 1,560 2,561 3,564 1.683,565 2.055,566 3.254,567 -0.277,568 1,569 1,573 73.177,574 1.591,575 3.676,576 4.561,577 4.855,578 4.898,579 4.898,580 2.68,581 4.404,582 4.619,583 3.383,584 1014.78,585 7.998,586 12133.7,588 1,590 1,591 254.084,592 1.26,593 4.592,594 0.161,595 0.003,596 0.057,597 0.055,598 0.031,599 0.025,600 0.013,601 0.014,602 0.01,603 0.006,604 0.374,605 0.33,606 1,607 0.663,608 119.535,609 -0.04,610 -0.375,611 0.079,612 -0.157,613 -0.023,614 -0.041,615 0.015,616 -0.054,617 0.053,618 0.003,619 0.071,620 0.022,621 -0.221,622 0.12,623 -0.065,624 0.171,625 -0.123,626 0.1,627 0.187,628 0.054,629 -0.084,630 -0.148,631 0.091,632 -0.167,633 -0.053,634 -0.143,635 -0.081,636 -0.13,637 -0.09,638 -0.11,639 0.06,640 -0.098,641 -0.008,642 -0.1,643 -0.011,644 -0.076,645 0.015,646 0.015,647 0.065,648 0.084,649 -0.022,650 0.092,651 -0.218,652 0.128,653 -0.007,654 0.158,655 -0.057,656 0.127,657 1.8,658 5.09,659 0.84,660 19.494,661 1.005,662 1.135,663 2.444,664 5.972,665 0.653,666 3.367,667 3.689,668 3.989,669 4.304,670 4.511,671 4.554,672 4.682,673 4.804,674 4.844,675 4.905,676 5.778,677 0.625,678 339.44,679 3.367,680 4.905,681 5.765,682 6.653,683 7.53,684 8.424,685 9.308,686 10.205,687 11.092,688 11.99,689 10.9,692 1,696 1,697 1,698 1,699 1,703 2,704 4,705 1,709 1,710 1,711 10,731 46,733 13,734 1,735 28,737 49,738 18,739 7,740 2,741 4,742 4,746 4,747 5,752 1,758 1,761 11,762 7,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 21,782 6,783 1,784 7,787 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 25,854 6,855 1,856 1,859 1,870 4.3,873 1,874 1,877 12.167,878 8.55,879 5.528,880 2.962,881 2.749,882 1.369,883 1.003,884 4.555,885 10.196,886 3.611,887 4.193,888 4.789,889 5.41,890 5.878,891 6.172,892 6.538,893 6.927,894 7.034,895 7.344,896 1,897 39,898 9.263,900 3.942,901 7.66,902 17.903,904 14.776,905 2.16,906 54,910 235.422,911 90.22,912 56.605,914 36.145,917 90.22,918 271.567,919 56.605,920 8.825,921 36.047,922 47.381,923 62.291,924 26.281,925 2.144,926 235.422,928 235.422,929 146.825,930 36.145,933 200.109,934 60.458,935 11,937 71.153,938 49.41,939 26.262,941 235.422,942 92.75,943 90.22,946 235.422,947 34.013,948 61.23,949 18.011,950 69.716,951 235.422,952 92.75,953 90.22,955 0.573,956 0.343,957 0.203,958 0.111,959 20,960 8,961 0.082,962 4,963 1,964 1.095,965 3.732,966 213.293,967 0.095,968 21,969 112.096,974 16.308,975 6.984,976 3.323,977 2.067,978 90.851,979 8.068,980 4.718,984 0.908,985 2.163,986 18.011,987 418.392,988 36,993 12.09,995 1.553,996 4.66,997 1.214,999 46.232,1000 52.232,1001 0.288,1002 0.666,1003 0.826,1004 0.879,1005 0.887,1006 0.887,1007 4.856,1008 1.35,1009 5.74,1010 4.215,1011 4.369,1012 4.879,1013 2.316,1014 6.558,1015 4.258,1016 6.052,1017 1.075,1018 7.294,1019 2.972,1020 3.892,1021 4.705,1022 1.048,1023 7.445,1024 3.728,1025 7.362,1026 1,1027 8.949,1028 2.61,1029 5.958,1030 7.084,1031 2.547,1032 10.579,1033 5.732,1034 8.71,1035 1,1036 10.665,1037 2.281,1038 6.33,1039 7.797,1040 1.926,1041 12.336,1042 6.039,1043 10.095,1044 0.232,1045 12.423,1046 2.136,1047 7.847,1048 9.65,1049 3.017,1050 14.969,1051 7.499,1052 11.505,1053 -0.054,1054 14.208,1055 0.425,1056 8.628,1057 10.796,1058 2.824,1059 17.093,1060 8.212,1061 12.936,1062 -0.388,1063 16.015,1064 -0.132,1065 9.915,1066 12.439,1067 3.646,1068 19.558,1069 9.444,1070 3.197,1071 -0.54,1072 17.838,1073 -0.992,1074 10.893,1075 13.79,1076 3.721,1077 21.836,1078 10.353,1079 2.937,1080 11.064,1081 19.673,1082 -1.326,1083 12.086,1084 15.35,1085 4.375,1086 24.246,1087 11.49,1088 2.481,1089 9.323,1090 21.519,1091 4.572,1092 13.154,1093 16.794,1094 4.604,1095 26.589,1096 12.492,1097 2.213,1098 7.568,1099 23.374,1100 3.631,1101 14.312,1102 18.324,1103 5.16,1104 28.984,1105 13.593,1106 1.936,1107 6.703,1108 25.235,1109 3.061,1110 15.421,1111 19.809,1112 5.476,1113 31.355,1114 14.638,1115 1.734,1116 5.546,1117 27.103,1118 2.696,1119 16.568,1120 21.329,1121 5.975,1122 33.747,1123 15.727,1124 1.663,1125 4.917,1126 28.975,1127 2.559,1128 17.696,1129 22.832,1130 6.339,1131 36.132,1132 16.793,1133 6777,1134 10852,1135 19.186,1136 30.029,1137 41.993,1138 42.808,1139 42.913,1140 41.603,1141 41.632,1142 52.964,1143 9.351,1144 119.521,1145 39.353,1146 5.628,1147 5.586,1148 6.552,1149 5.242,1150 5.197,1151 7.572,1152 2.695,1153 18.119,1154 5.012,1155 8.85,1156 1.5,1157 1.529,1158 1.533,1159 1.486,1160 1.487,1161 1.892,1162 0.334,1163 4.269,1164 1.405,1165 4.129,1166 4.174,1167 4.096,1168 4.002,1169 7.43,1170 4.019,1171 3.888,1172 3.938,1173 3.834,1174 3.697,1175 5.021,1176 3.725,1177 3.664,1178 3.715,1179 3.557,1180 3.462,1181 4.75,1182 3.475,1183 3.525,1184 3.59,1185 3.406,1186 3.359,1187 4.577,1188 3.364,1189 3.301,1190 3.369,1191 3.135,1192 3.138,1193 4.324,1194 3.126,1195 3.111,1196 3.206,1197 2.92,1198 2.941,1199 4.029,1200 2.91,1201 3.018,1202 3.082,1203 2.868,1204 2.852,1205 3.892,1206 2.857,1207 2.944,1208 2.99,1209 2.866,1210 2.757,1211 3.686,1212 2.745,1213 0.165,1214 0.128,1215 0.241,1216 0.148,1217 0.114,1218 4.628,1219 0.163,1220 3.586,1221 0.055,1222 6.75,1223 0.395,1224 4.138,1225 0.108,1226 3.197,1227 4.572,1228 1.528,1229 11.064,1230 3.012,1231 1.923,1232 1.893,1233 2.027,1234 2.043,1235 1.211,1236 2.036,1237 1.809,1238 1.761,1239 1.951,1240 2.016,1241 1.185,1242 2.001,1243 1.658,1244 1.597,1245 1.858,1246 1.879,1247 1.016,1248 1.872,1249 1.532,1250 1.474,1251 1.75,1252 1.767,1253 0.895,1254 1.764,1255 1.297,1256 1.233,1257 1.519,1258 1.504,1259 0.825,1260 1.52,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.625,1266 1.429,1267 0.949,1268 0.886,1269 1.202,1270 1.178,1271 0.312,1272 1.184,1273 0.914,1274 0.856,1275 1.118,1276 1.14,1277 0.209,1278 1.117,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.844,1285 8.494,1286 7.034,1287 10.151,1289 2.095,1295 4.15,1296 2.853,1297 5.373,1300 2.088,1305 28.751,1306 73.177,1307 169.116,1308 209.819,1309 223.329,1310 225.329,1311 225.329,1312 33.939,1313 7.447,1314 76.04,1315 76.04,1316 23,1317 12.516,1318 3.807,1319 3.17,1320 35.832,1321 87,1322 82,1323 0.202,1324 175.331,1325 302.82,1326 419.568,1327 17214,1329 17.225,1330 0.689,1331 0.569,1332 17.225,1333 14.235,1334 12.242,1335 0.437,1336 0.308,1337 8.46,1338 11.639,1339 8.303,1340 6.81,1341 12.242,1342 8.614,1343 10.848,1344 0.278,1345 0.156,1346 10.848,1347 6.087,1348 9.23,1349 0.174,1350 0.085,1351 9.23,1352 4.488,1353 8.327,1354 0.114,1355 0.045,1356 8.327,1357 3.295,1358 6.665,1359 0.074,1360 0.024,1361 6.665,1362 2.187,1363 0.313,1364 77.364,1365 0.228,1366 24.035,1367 0.569,1368 134,1369 394.384,1370 150.583,1371 374.025,1372 519.23,1373 354,1374 159,1375 388.498,1376 175.78,1377 387,1378 572.86,1379 367,1380 6}
{0 CHEMBL2064341,1 1.709,2 10.148,3 2.211,4 4.889,5 97.023,6 7.86,7 0.323,8 3.995,9 4.114,10 3.618,11 3.486,12 5.068,13 3.499,14 4.561,15 4.737,16 3.97,17 3.848,18 5.662,19 3.845,20 4.776,21 5.001,22 3.988,23 3.962,24 5.824,25 3.941,26 4.742,27 4.951,28 3.993,29 4.014,30 5.827,31 3.953,32 4.79,33 5.014,34 3.915,35 3.982,36 5.803,37 3.913,38 4.79,39 5.024,40 3.882,41 3.904,42 5.834,43 3.837,44 4.723,45 4.969,46 3.809,47 3.745,48 5.872,49 3.719,50 4.538,51 4.776,52 3.656,53 3.623,54 5.707,55 3.592,56 0.086,57 0.823,58 8.973,59 4.022,60 7.75,61 5.136,62 0.396,63 1.296,64 18.87,65 6.573,66 28.641,67 8.748,68 0.666,69 1.505,70 26.524,71 7.369,72 52.318,73 10.206,74 0.536,75 1.509,76 23.601,77 8.814,78 47.196,79 12.099,80 0.508,81 1.466,82 25.857,83 8.602,84 45.001,85 12.308,86 0.561,87 1.377,88 27.149,89 8.858,90 59.49,91 12.524,92 0.748,93 1.34,94 27.002,95 7.149,96 78.648,97 9.844,98 0.637,99 1.147,100 22.274,101 6.284,102 64.636,103 8.428,104 5,105 45,106 0.29,107 0.664,108 0.811,109 0.828,110 0.828,111 0.828,112 3.341,113 0.897,114 -4.29,115 -4.23,116 -3.99,119 40.4,121 3,125 4,127 1,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 2,174 2,175 10,178 2,180 2,183 1,186 1,187 3,195 1,198 4,199 5,202 3,207 7,211 1,212 1,220 5,223 4,224 6,229 4,236 1,237 2,240 1,242 1,250 8,258 4,262 2,263 2,271 1,275 1050,276 18.549,277 18.549,278 18.549,279 18.549,280 18.549,281 16.846,282 23.861,283 10.872,284 19.118,285 15.38,286 15.38,287 15.38,288 15.38,289 15.38,290 12.599,291 26.253,292 5.253,293 16.334,294 3.846,295 1.646,296 0.782,297 0.681,298 0.681,299 0.681,300 4.044,303 1,304 1,305 1,306 619,307 2.449,308 34.614,310 54.722,311 235.241,314 107.221,318 1.35,319 32.927,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 274,332 4.686,333 3.59,334 6.951,335 4.245,336 3.303,337 4.612,338 1.528,339 11.796,340 3.112,341 4.254,342 3.413,343 6.202,344 3.878,345 2.94,346 3.633,347 1.005,348 9.325,349 2.761,350 3.908,351 3.13,352 5.872,353 3.596,354 2.626,355 3.339,356 0.864,357 8.157,358 2.546,359 3.647,360 2.934,361 5.537,362 3.427,363 2.486,364 2.779,365 0.86,366 7.446,367 2.332,368 3.488,369 2.861,370 5.2,371 3.2,372 2.237,373 2.685,374 0.367,375 6.349,376 2.151,377 3.416,378 2.484,379 4.975,380 2.99,381 2.019,382 2.588,383 0.052,384 5.739,385 1.93,386 3.152,387 2.312,388 4.729,389 2.681,390 1.745,391 2.371,393 5.055,394 1.624,395 3.004,396 2.057,397 4.619,398 2.589,399 1.668,400 2.152,402 4.615,403 1.525,404 2.886,405 1.594,406 4.344,407 2.543,408 1.582,409 1.875,411 4.214,412 1.515,413 2.214,414 1.527,415 3.639,416 1.952,417 1.071,418 1.155,420 2.61,421 0.946,422 2.134,423 1.256,424 3.49,425 1.951,426 1,427 1.003,428 2.136,429 0.935,430 2,431 0.934,432 3.247,433 1.713,434 0.758,435 1,436 2.016,437 0.72,438 1.355,439 0.719,440 3.019,441 0.991,442 0.033,443 0.039,445 0.095,446 0.031,447 1.133,448 0.364,449 2.678,450 0.679,451 -0.254,452 -0.295,454 -0.635,455 -0.228,456 1.009,457 0.235,458 2.556,459 0.62,460 -0.386,461 -0.499,463 -0.991,464 -0.376,465 12.452,466 0.461,467 0.674,468 0.025,469 32,470 1.185,471 12.5,472 0.463,473 19.5,474 0.722,475 23.292,476 0.863,477 29.548,478 0.629,479 23.444,480 0.868,481 6.265,482 0.232,483 6.905,484 0.256,485 0.05,487 0.385,491 1,493 0.706,494 1.36,495 0.688,496 1.182,497 0.511,498 0.975,499 0.882,500 1.16,501 0.87,502 1.067,503 0.538,504 0.987,505 1.215,506 0.898,507 1.028,508 0.697,509 0.972,510 0.768,511 0.531,512 0.907,513 0.923,514 1.102,515 0.609,516 1.112,517 0.717,518 0.984,519 0.999,520 1.115,521 0.75,522 1.117,523 0.777,524 0.999,525 0.91,526 1.086,527 0.91,528 1.05,529 1.321,530 1.025,531 1.039,532 0.813,533 1.504,534 0.83,535 1.365,536 0.872,537 1.05,538 0.787,539 1.416,540 0.823,541 5.5,542 0.075,543 2.056,544 2.16,545 1.268,546 0.997,547 0.43,548 0.464,549 0.29,550 0.183,551 9217,552 25224,553 2.208,554 42.6,556 13,559 1,560 2,561 4,564 1.704,565 2.104,566 3.317,567 -0.272,568 1,569 1,573 80.307,574 1.709,575 3.909,576 4.773,577 4.874,578 4.874,579 4.874,580 2.689,581 4.385,582 4.729,583 3.444,584 1208.75,585 8.226,586 15202.2,588 1,590 1,591 261.066,592 1.28,593 4.703,594 0.177,595 0.004,596 0.049,597 0.05,598 0.03,599 0.026,600 0.012,601 0.014,602 0.01,603 0.008,604 0.381,605 0.17,606 0.88,607 0.454,608 132.333,609 -0.051,610 -0.264,611 0.07,612 -0.119,613 -0.007,614 -0.018,615 -0.018,616 -0.16,617 0.011,618 -0.096,619 0.067,620 -0.057,621 -0.227,622 0.105,623 -0.062,624 0.223,625 -0.109,626 0.153,627 0.164,628 0.085,629 -0.037,630 -0.103,631 0.074,632 -0.128,633 0.002,634 -0.088,635 -0.081,636 -0.143,637 -0.042,638 -0.133,639 0.053,640 -0.164,641 0.056,642 -0.119,643 -0.016,644 -0.056,645 -0.108,646 -0.011,647 0.014,648 0.1,649 -0.125,650 0.102,651 -0.113,652 0.209,653 -0.007,654 0.165,655 -0.061,656 0.124,657 1.963,658 5.608,659 0.889,660 22.107,661 1.016,662 1.14,663 3.058,664 9.354,665 0.659,666 3.466,667 3.829,668 4.094,669 4.443,670 4.691,671 4.796,672 4.949,673 5.069,674 5.112,675 5.17,676 6.009,677 0.641,678 369.44,679 3.466,680 5.03,681 5.905,682 6.812,683 7.706,684 8.62,685 9.522,686 10.44,687 11.348,688 12.268,689 10.6,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,709 2,710 1,711 10,730 1,731 47,733 13,734 1,735 31,737 51,738 19,739 7,740 3,741 3,742 4,746 5,747 6,755 3,758 4,761 11,762 8,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 20,782 7,783 1,784 8,787 1,790 5,791 1,794 0.8,795 2,809 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 4,846 1,848 27,854 7,855 1,856 1,858 1,859 1,869 1,870 4.3,873 1,874 1,877 12.833,878 8.443,879 5.722,880 2.993,881 2.797,882 1.361,883 1.03,884 4.217,885 10.548,886 3.689,887 4.294,888 4.865,889 5.513,890 6.026,891 6.397,892 6.785,893 7.164,894 7.313,895 7.596,896 0.857,897 43,898 10.065,900 4.493,901 7.815,902 19.3,904 16.684,905 2.315,906 62.5,910 223.651,911 84.002,912 56.605,914 36.145,915 14.96,917 84.002,918 259.796,919 71.565,921 39.011,922 37.905,923 62.291,924 35.402,925 17.104,926 223.651,928 223.651,929 140.608,930 51.105,933 191.527,934 72.229,935 11,937 65.292,938 49.054,939 26.262,941 238.611,942 92.75,943 84.002,946 223.651,947 46.097,948 42.928,949 18.011,950 84.676,951 223.651,952 107.71,953 84.002,955 0.588,956 0.326,957 0.191,958 0.109,959 25,960 10,961 0.078,962 4,963 1,964 1.083,965 3.959,966 246.535,967 0.083,968 24,969 122.382,974 16.905,975 6.735,976 3.494,977 1.573,978 105.811,979 4.698,980 4.629,984 0.51,985 2.163,986 18.011,987 415.364,988 39,993 12.162,995 1.522,996 4.649,997 1.056,999 47.745,1000 53.572,1001 0.308,1002 0.704,1003 0.859,1004 0.877,1005 0.877,1006 0.877,1007 4.966,1008 1.668,1009 5.9,1010 5.055,1011 4.511,1012 4.98,1013 2.316,1014 6.744,1015 4.398,1016 6.184,1017 1.582,1018 7.473,1019 4.615,1020 4.205,1021 4.913,1022 1.048,1023 7.714,1024 4.047,1025 7.509,1026 1.071,1027 9.144,1028 4.214,1029 6.146,1030 7.189,1031 2.547,1032 10.827,1033 5.924,1034 8.865,1035 1,1036 10.874,1037 2.61,1038 6.608,1039 7.939,1040 1.926,1041 12.638,1042 6.332,1043 10.254,1044 0.758,1045 12.642,1046 2.136,1047 8.071,1048 9.75,1049 3.017,1050 15.302,1051 7.735,1052 11.666,1053 0.033,1054 14.439,1055 2.016,1056 8.901,1057 10.908,1058 2.824,1059 17.487,1060 8.505,1061 13.099,1062 -0.254,1063 16.259,1064 0.095,1065 10.172,1066 12.536,1067 3.646,1068 20.002,1069 9.718,1070 3.303,1071 -0.386,1072 18.096,1073 -0.635,1074 11.183,1075 13.894,1076 3.721,1077 22.348,1078 10.665,1079 2.94,1080 11.796,1081 19.947,1082 -0.991,1083 12.381,1084 15.451,1085 4.375,1086 24.818,1087 11.805,1088 2.626,1089 9.325,1090 21.812,1091 4.612,1092 13.478,1093 16.901,1094 4.604,1095 27.232,1096 12.838,1097 2.486,1098 8.157,1099 23.687,1100 3.633,1101 14.653,1102 18.434,1103 5.16,1104 29.692,1105 13.954,1106 2.237,1107 7.446,1108 25.571,1109 3.339,1110 15.791,1111 19.925,1112 5.476,1113 32.135,1114 15.029,1115 2.019,1116 6.349,1117 27.462,1118 2.779,1119 16.962,1120 21.451,1121 5.975,1122 34.595,1123 16.14,1124 1.745,1125 5.739,1126 29.36,1127 2.685,1128 18.121,1129 22.962,1130 6.339,1131 37.05,1132 17.237,1133 8447,1134 14103,1135 21.383,1136 30.966,1137 47.578,1138 48.692,1139 48.163,1140 46.939,1141 46.936,1142 58.458,1143 9.351,1144 139.102,1145 44.257,1146 5.686,1147 5.59,1148 6.753,1149 5.349,1150 5.303,1151 7.612,1152 2.695,1153 19.034,1154 5.112,1155 9.451,1156 1.535,1157 1.571,1158 1.554,1159 1.514,1160 1.514,1161 1.886,1162 0.302,1163 4.487,1164 1.428,1165 4.165,1166 4.21,1167 4.132,1168 4.034,1169 8.201,1170 4.052,1171 3.89,1172 3.94,1173 3.837,1174 3.698,1175 7.43,1176 3.725,1177 3.783,1178 3.831,1179 3.674,1180 3.682,1181 4.991,1182 3.673,1183 3.663,1184 3.714,1185 3.556,1186 3.448,1187 4.745,1188 3.465,1189 3.399,1190 3.445,1191 3.328,1192 3.238,1193 4.575,1194 3.252,1195 3.111,1196 3.206,1197 2.985,1198 2.941,1199 4.248,1200 2.91,1201 3.048,1202 3.101,1203 2.872,1204 2.868,1205 4.134,1206 2.886,1207 2.944,1208 2.991,1209 2.866,1210 2.765,1211 3.889,1212 2.763,1213 0.151,1214 0.116,1215 0.224,1216 0.137,1217 0.107,1218 4.686,1219 0.149,1220 3.59,1221 0.049,1222 6.951,1223 0.381,1224 4.245,1225 0.1,1226 3.303,1227 4.612,1228 1.528,1229 11.796,1230 3.112,1231 1.908,1232 1.883,1233 1.982,1234 2.032,1235 1.21,1236 2.012,1237 1.808,1238 1.76,1239 1.95,1240 2.008,1241 1.153,1242 1.997,1243 1.635,1244 1.578,1245 1.803,1246 1.866,1247 0.996,1248 1.851,1249 1.463,1250 1.417,1251 1.592,1252 1.693,1253 0.825,1254 1.662,1255 1.153,1256 1.07,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.777,1266 1.429,1267 1.128,1268 1.064,1269 1.379,1270 1.331,1271 0.606,1272 1.345,1273 0.935,1274 0.879,1275 1.161,1276 1.162,1277 0.226,1278 1.146,1279 4.143,1280 1.946,1281 5.493,1282 3.932,1283 7.036,1284 5.9,1285 8.668,1286 7.856,1287 10.347,1291 13.608,1295 5.284,1296 2.826,1297 5.37,1299 0.393,1300 2.057,1305 30.134,1306 80.307,1307 183.707,1308 224.311,1309 229.066,1310 229.066,1311 229.066,1312 42.768,1313 7.751,1314 76.04,1315 76.04,1316 26,1317 12.779,1318 3.807,1319 3.17,1320 35.64,1321 98,1322 95,1323 0.179,1324 178.728,1325 313.83,1326 427.857,1327 24632,1328 2.1,1329 18.38,1330 0.681,1331 0.549,1332 17.51,1333 14.82,1334 13.17,1335 0.425,1336 0.299,1337 9.088,1338 12.462,1339 8.99,1340 7.283,1341 12.776,1342 9.265,1343 12.325,1344 0.274,1345 0.158,1346 11.691,1347 7.089,1348 9.855,1349 0.167,1350 0.081,1351 9.519,1352 4.786,1353 8.982,1354 0.107,1355 0.043,1356 8.718,1357 3.594,1358 7.398,1359 0.069,1360 0.023,1361 7.177,1362 2.495,1363 0.276,1364 83.762,1365 0.216,1366 25.602,1367 0.503,1368 152,1369 500.495,1370 172.747,1371 448.309,1372 611.32,1373 422,1374 183,1375 451.184,1376 203.19,1377 442.935,1378 658.3,1379 420,1380 5}
{0 CHEMBL2064342,1 1.74,2 10.286,3 1.591,4 2.53,5 100.856,6 7.749,7 0.323,8 4.041,9 4.159,10 3.64,11 3.476,12 5.148,13 3.498,14 4.617,15 4.796,16 3.995,17 3.85,18 5.729,19 3.86,20 4.808,21 5.021,22 4.009,23 3.985,24 5.873,25 3.962,26 4.824,27 5.049,28 3.995,29 4.024,30 5.886,31 3.955,32 4.854,33 5.089,34 3.995,35 3.98,36 5.885,37 3.932,38 4.841,39 5.055,40 3.984,41 3.958,42 5.936,43 3.916,44 4.843,45 5.074,46 3.915,47 3.871,48 6.007,49 3.838,50 4.723,51 4.967,52 3.787,53 3.763,54 5.883,55 3.715,56 0.117,57 0.83,58 9.879,59 4.156,60 9.204,61 5.452,62 0.566,63 1.29,64 21.342,65 6.617,66 36.247,67 8.947,68 0.76,69 1.517,70 27.263,71 7.55,72 54.987,73 10.759,74 0.622,75 1.524,76 26.986,77 9.36,78 53.238,79 13.375,80 0.66,81 1.455,82 28.979,83 8.589,84 51.771,85 12.902,86 0.684,87 1.41,88 28.358,89 8.853,90 63.271,91 12.442,92 0.942,93 1.416,94 30.078,95 7.946,96 89.061,97 11.256,98 0.856,99 1.246,100 27.227,101 7.384,102 77.18,103 10.74,104 13,105 43,106 0.293,107 0.635,108 0.785,109 0.829,110 0.848,111 0.848,112 3.375,113 0.891,114 -3.54,115 -3.51,116 -3.35,119 38,121 1,124 1,125 6,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 2,175 8,178 2,180 2,183 1,186 2,187 3,195 1,198 4,199 3,202 3,207 3,211 2,212 3,220 1,223 4,224 6,229 2,236 2,237 2,240 2,242 1,250 4,258 2,262 4,263 3,271 1,275 1216,276 19.179,277 19.179,278 19.179,279 19.179,280 19.179,281 17.452,282 23.746,283 11.597,284 19.951,285 15.345,286 15.345,287 15.345,288 15.345,289 15.345,290 12.539,291 25.877,292 5.548,293 16.507,294 3.904,295 1.875,296 0.986,297 0.725,298 0.615,299 0.615,300 4.074,303 1,304 1,305 1,306 624,307 2.915,310 58.915,311 246.671,314 114.598,318 1.449,319 35.705,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 288,332 4.642,333 3.586,334 6.759,335 4.153,336 3.211,337 4.593,338 1.528,339 11.114,340 3.026,341 4.254,342 3.327,343 6.201,344 3.876,345 2.938,346 3.633,347 1.005,348 9.324,349 2.759,350 3.824,351 3.126,352 5.679,353 3.456,354 2.513,355 3.282,356 0.864,357 7.675,358 2.36,359 3.613,360 2.932,361 5.4,362 3.314,363 2.371,364 2.768,365 0.86,366 6.953,367 2.23,368 3.428,369 2.776,370 5.009,371 3.016,372 2.032,373 2.588,374 0.86,375 5.816,376 1.975,377 3.21,378 2.312,379 4.803,380 2.771,381 1.84,382 2.48,383 0.367,384 5.244,385 1.703,386 3.144,387 2.228,388 4.68,389 2.667,390 1.739,391 2.368,392 0.052,393 4.934,394 1.61,395 2.89,396 2.069,397 4.344,398 2.585,399 1.657,400 1.878,402 4.215,403 1.525,404 2.59,405 1.777,406 3.844,407 2.357,408 1.453,409 1.595,411 3.108,412 1.307,413 2.215,414 1.528,415 3.49,416 1.952,417 1.072,418 1.158,420 2.607,421 0.946,422 2.182,423 1.256,424 3.316,425 1.952,426 1,427 1.1,428 2.136,429 0.936,430 2,431 1.181,432 3.247,433 1.808,434 0.892,435 1,436 1.962,437 0.81,438 1.45,439 0.72,440 3.009,441 1.143,442 0.23,443 0.268,445 0.44,446 0.208,447 1.275,448 0.563,449 2.572,450 0.909,451 -0.039,452 -0.045,454 -0.101,455 -0.037,456 1.078,457 0.344,458 2.517,459 0.628,460 -0.38,461 -0.464,463 -0.858,464 -0.327,465 12.786,466 0.457,467 0.623,468 0.022,469 32.5,470 1.161,471 12.5,472 0.446,473 20,474 0.714,475 24.32,476 0.869,477 31.614,478 0.632,479 25.912,480 0.925,481 6.862,482 0.245,483 6.774,484 0.242,485 0.088,487 0.336,491 1,493 0.758,494 1.475,495 0.713,496 1.31,497 0.545,498 1.051,499 1.076,500 1.064,501 0.892,502 0.911,503 0.626,504 0.866,505 1.146,506 0.997,507 1.085,508 0.825,509 1.001,510 0.897,511 0.519,512 0.942,513 0.899,514 1.136,515 0.593,516 1.124,517 0.716,518 0.943,519 0.865,520 1.008,521 0.724,522 0.97,523 0.916,524 1.016,525 0.958,526 1.093,527 0.955,528 1.054,529 1.211,530 1.048,531 1.112,532 0.939,533 1.43,534 0.975,535 1.014,536 0.86,537 0.96,538 0.857,539 1.061,540 0.881,541 5.5,542 0.097,543 2.444,544 2.326,545 1.303,546 1.081,547 0.533,548 0.525,549 0.334,550 0.22,551 9504,552 28409,553 2.115,554 44,556 19,559 1,560 2,564 1.715,565 2,566 3.361,567 -0.252,568 1,569 1,573 87.01,574 1.74,575 3.769,576 4.658,577 4.919,578 5.029,579 5.029,580 2.727,581 4.593,582 4.779,583 3.496,584 1321.37,585 8.336,586 17322.8,588 1,590 1,591 282.193,592 1.333,593 4.748,594 0.177,595 0.005,596 0.057,597 0.054,598 0.032,599 0.026,600 0.013,601 0.015,602 0.01,603 0.008,604 0.397,605 0.33,606 1,607 1.032,608 139.446,609 -0.06,610 -0.336,611 0.068,612 -0.192,613 -0.019,614 -0.057,615 -0.112,616 -0.06,617 0.022,618 0.071,619 0.022,620 0.071,621 -0.201,622 0.046,623 -0.143,624 0.124,625 -0.127,626 0.035,627 0.149,628 0.045,629 -0.001,630 -0.124,631 0.081,632 -0.117,633 0.039,634 -0.049,635 0.073,636 -0.043,637 -0.005,638 0.016,639 -0.027,640 -0.132,641 -0.013,642 -0.113,643 -0.037,644 -0.075,645 -0.08,646 -0.019,647 -0.098,648 -0.009,649 -0.132,650 -0.042,651 0.036,652 0.124,653 0.055,654 0.094,655 0.045,656 0.087,657 2.003,658 5.619,659 0.75,660 25.173,661 1.019,662 1.144,663 2.31,664 5.337,665 0.644,666 3.466,667 3.784,668 4.06,669 4.382,670 4.625,671 4.727,672 4.868,673 4.99,674 5.05,675 5.106,676 6.259,677 0.628,678 387.46,679 3.466,680 5.004,681 5.855,682 6.742,683 7.616,684 8.513,685 9.398,686 10.299,687 11.189,688 12.092,689 10,692 1,696 1,697 1,698 1,699 1,703 2,704 3,705 1,709 2,710 1,711 10,730 1,731 50,733 13,734 1,735 31,737 53,738 19,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 8,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 22,782 8,783 1,784 9,787 1,790 5,791 1,794 0.75,795 3,811 1,812 3,815 1,826 1,831 1,836 1,839 2,840 3,844 1,846 1,848 28,854 7,855 1,856 2,859 1,869 1,870 6,873 1,874 2,877 14,878 9.276,879 6.194,880 2.943,881 2.782,882 1.362,883 0.985,884 5.713,885 10.471,886 3.689,887 4.266,888 4.841,889 5.471,890 5.975,891 6.334,892 6.709,893 7.09,894 7.242,895 7.519,896 0.857,897 43,898 10.402,900 4.456,901 7.881,902 19.675,904 16.049,905 2.381,906 66.667,910 247.193,911 96.515,912 56.605,914 47.145,915 14.96,917 96.515,918 294.338,919 71.565,920 10.883,921 40.64,922 37.905,923 73.291,924 35.402,925 17.104,926 247.193,928 247.193,929 153.12,930 62.105,933 262.153,934 25.145,935 22,937 66.921,938 59.937,939 26.262,941 262.153,942 103.75,943 96.515,946 247.193,947 47.727,948 53.811,949 18.011,950 95.676,951 247.193,952 118.71,953 96.515,955 0.572,956 0.328,957 0.191,958 0.113,959 21,960 9,961 0.113,962 6,963 1,964 1.095,965 3.955,966 247.652,967 0.095,968 21,969 130.606,974 19.062,975 8.393,976 4.272,977 1.387,978 116.811,979 4.524,980 4.565,984 0.358,985 1.972,986 18.011,987 462.418,988 39,993 12.167,995 1.498,996 4.618,997 0.938,999 50.956,1000 57.196,1001 0.308,1002 0.668,1003 0.825,1004 0.871,1005 0.891,1006 0.891,1007 4.938,1008 1.657,1009 5.832,1010 4.934,1011 4.466,1012 4.952,1013 2.452,1014 6.642,1015 4.335,1016 6.133,1017 1.453,1018 7.381,1019 4.215,1020 4.007,1021 4.82,1022 1.048,1023 7.506,1024 3.824,1025 7.443,1026 1.072,1027 9.03,1028 3.108,1029 6.047,1030 7.152,1031 2.629,1032 10.641,1033 5.801,1034 8.79,1035 1,1036 10.739,1037 2.607,1038 6.415,1039 7.883,1040 1.926,1041 12.374,1042 6.109,1043 10.172,1044 0.892,1045 12.488,1046 2.136,1047 7.922,1048 9.713,1049 3.056,1050 15.016,1051 7.559,1052 11.579,1053 0.23,1054 14.266,1055 1.962,1056 8.696,1057 10.864,1058 2.824,1059 17.129,1060 8.27,1061 13.008,1062 -0.039,1063 16.066,1064 0.44,1065 9.98,1066 12.497,1067 3.662,1068 19.6,1069 9.498,1070 3.211,1071 -0.38,1072 17.883,1073 -0.101,1074 10.952,1075 13.85,1076 3.721,1077 21.876,1078 10.407,1079 2.938,1080 11.114,1081 19.713,1082 -0.858,1083 12.145,1084 15.408,1085 4.381,1086 24.29,1087 11.543,1088 2.513,1089 9.324,1090 21.555,1091 4.593,1092 13.211,1093 16.853,1094 4.604,1095 26.635,1096 12.546,1097 2.371,1098 7.675,1099 23.407,1100 3.633,1101 14.37,1102 18.384,1103 5.162,1104 29.035,1105 13.648,1106 2.032,1107 6.953,1108 25.266,1109 3.282,1110 15.48,1111 19.872,1112 5.476,1113 31.41,1114 14.696,1115 1.84,1116 5.816,1117 27.132,1118 2.768,1119 16.629,1120 21.394,1121 5.975,1122 33.807,1123 15.787,1124 1.739,1125 5.244,1126 29.003,1127 2.588,1128 17.759,1129 22.901,1130 6.339,1131 36.196,1132 16.858,1133 9075,1134 15816,1135 20.978,1136 32.182,1137 46.206,1138 47.554,1139 47.432,1140 45.863,1141 45.895,1142 57.422,1143 11.071,1144 131.054,1145 42.789,1146 5.642,1147 5.586,1148 6.617,1149 5.257,1150 5.211,1151 7.593,1152 2.695,1153 18.206,1154 5.026,1155 12.064,1156 1.491,1157 1.534,1158 1.53,1159 1.479,1160 1.48,1161 1.852,1162 0.357,1163 4.228,1164 1.38,1165 4.134,1166 4.177,1167 4.106,1168 4.002,1169 8.201,1170 4.022,1171 3.888,1172 3.938,1173 3.836,1174 3.697,1175 7.43,1176 3.725,1177 3.666,1178 3.716,1179 3.563,1180 3.463,1181 4.99,1182 3.477,1183 3.574,1184 3.623,1185 3.474,1186 3.369,1187 4.745,1188 3.386,1189 3.388,1190 3.435,1191 3.271,1192 3.175,1193 4.618,1194 3.186,1195 3.125,1196 3.206,1197 3.006,1198 2.941,1199 4.574,1200 2.915,1201 3.111,1202 3.201,1203 2.874,1204 2.904,1205 4.17,1206 2.91,1207 2.982,1208 3.055,1209 2.866,1210 2.803,1211 3.889,1212 2.799,1213 0.15,1214 0.116,1215 0.218,1216 0.134,1217 0.104,1218 4.642,1219 0.148,1220 3.586,1221 0.049,1222 6.759,1223 0.359,1224 4.153,1225 0.098,1226 3.211,1227 4.593,1228 1.528,1229 11.114,1230 3.026,1231 1.916,1232 1.889,1233 1.999,1234 2.045,1235 1.212,1236 2.029,1237 1.809,1238 1.761,1239 1.95,1240 2.017,1241 1.194,1242 1.999,1243 1.656,1244 1.599,1245 1.836,1246 1.882,1247 1.012,1248 1.87,1249 1.534,1250 1.483,1251 1.739,1252 1.786,1253 0.913,1254 1.771,1255 1.33,1256 1.28,1257 1.566,1258 1.594,1259 0.825,1260 1.584,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.63,1266 1.429,1267 1.109,1268 1.024,1269 1.464,1270 1.371,1271 0.56,1272 1.405,1273 0.939,1274 0.88,1275 1.17,1276 1.167,1277 0.258,1278 1.16,1279 4.143,1281 5.46,1282 2.398,1283 6.971,1284 4.844,1285 8.575,1286 7.034,1287 10.23,1289 1.628,1291 13.619,1295 4.01,1296 2.791,1297 10.559,1300 2.033,1305 31.376,1306 87.01,1307 188.441,1308 232.909,1309 245.928,1310 251.438,1311 251.438,1312 49.778,1313 7.689,1314 85.27,1315 85.27,1316 23,1317 12.614,1318 3.807,1319 3.17,1320 42.219,1321 105,1322 102,1323 0.197,1324 190.118,1325 334.98,1326 455.648,1327 23100,1328 2,1329 19.51,1330 0.697,1331 0.559,1332 18.64,1333 15.651,1334 13.635,1335 0.44,1336 0.297,1337 8.977,1338 12.755,1339 8.831,1340 7.206,1341 13.242,1342 9.204,1343 12.216,1344 0.284,1345 0.154,1346 11.582,1347 6.632,1348 9.985,1349 0.175,1350 0.083,1351 9.649,1352 4.746,1353 8.844,1354 0.112,1355 0.043,1356 8.58,1357 3.402,1358 7.288,1359 0.072,1360 0.023,1361 7.072,1362 2.328,1363 0.305,1364 87.8,1365 0.218,1366 26.482,1367 0.553,1368 148,1369 540.231,1370 170.628,1371 478.245,1372 639.78,1373 450,1374 174,1375 454.559,1376 195.906,1377 448.287,1378 659.2,1379 421,1380 5}
{0 CHEMBL2064343,1 1.52,2 10.276,3 3.374,4 11.386,5 110.61,6 7.027,7 0.303,8 4.135,9 4.264,10 3.671,11 3.638,12 5.104,13 3.619,14 4.742,15 4.93,16 4.043,17 4.061,18 5.689,19 4.014,20 5.032,21 5.282,22 4.06,23 4.206,24 5.878,25 4.121,26 5.015,27 5.268,28 4.051,29 4.222,30 5.881,31 4.113,32 4.998,33 5.235,34 4.063,35 4.219,36 5.896,37 4.129,38 5.041,39 5.27,40 4.059,41 4.229,42 5.996,43 4.127,44 5.047,45 5.312,46 3.957,47 4.124,48 5.984,49 4.019,50 4.897,51 5.17,52 3.791,53 3.987,54 5.773,55 3.884,56 0.018,57 0.872,58 12.618,59 4.982,60 5.358,61 7.055,62 0.296,63 1.45,64 25.152,65 8.586,66 25.78,67 12.472,68 0.475,69 1.767,70 35.627,71 10.496,72 38.472,73 16.282,74 0.472,75 1.761,76 34.47,77 11.77,78 39.1,79 17.665,80 0.341,81 1.737,82 33.634,83 10.96,84 36.489,85 16.594,86 0.434,87 1.765,88 35.238,89 11.864,90 49.315,91 17.491,92 0.551,93 1.682,94 36.827,95 10.709,96 59.453,97 16.691,98 0.39,99 1.44,100 31.782,101 9.269,102 40.478,103 14.352,104 2,105 46,106 0.25,107 0.58,108 0.743,109 0.803,110 0.825,111 0.825,112 3.409,113 0.97,114 -4.58,115 -4.5,116 -4.23,119 39.3,121 6,125 4,127 1,135 1,139 1,142 4,146 1,152 1,158 2,161 1,172 7,174 2,175 10,178 2,180 2,183 6,186 1,187 6,195 3,198 4,199 7,202 3,207 7,211 1,212 3,220 10,223 4,224 7,229 4,232 8,236 1,237 5,240 1,242 4,245 4,250 9,255 1,258 5,262 2,263 8,271 4,275 1319,276 20.223,277 20.223,278 20.223,279 20.223,280 20.223,281 18.545,282 22.233,283 12.221,284 20.729,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 13.686,291 25.591,292 5.896,293 17.231,294 4.287,295 2.276,296 1.285,297 0.92,298 0.786,299 0.786,300 4.124,304 1,305 1,306 668,307 2.345,310 57.709,311 319.846,314 114.025,318 1.389,319 24.433,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 298,332 4.667,333 3.588,334 6.938,335 4.215,336 3.274,337 4.591,338 1.528,339 11.752,340 3.082,341 4.253,342 3.383,343 6.201,344 3.876,345 2.939,346 3.631,347 1.005,348 9.325,349 2.759,350 3.762,351 3.128,352 5.798,353 3.457,354 2.487,355 3.131,356 0.864,357 7.851,358 2.421,359 3.623,360 2.88,361 5.52,362 3.415,363 2.466,364 2.751,365 0.86,366 7.394,367 2.321,368 3.446,369 2.528,370 5.153,371 3.128,372 2.137,373 2.592,374 0.367,375 6.171,376 2.109,377 3.227,378 2.323,379 4.736,380 2.8,381 1.823,382 2.438,383 0.052,384 5.109,385 1.769,386 3.021,387 2.114,388 4.639,389 2.643,390 1.723,391 2.144,393 4.634,394 1.593,395 2.899,396 1.709,397 4.344,398 2.591,399 1.644,400 1.984,402 4.214,403 1.538,404 2.822,405 1.536,406 3.707,407 2.335,408 1.35,409 1.868,411 3.015,412 1.328,413 2.429,414 1.393,415 3.606,416 2.288,417 1.3,418 1.421,420 2.923,421 1.283,422 2.213,423 1.323,424 3.491,425 2,426 1.068,427 1.153,428 2.607,429 1,430 2,431 1.256,432 3.302,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.894,448 0.722,449 3.247,450 1.48,451 0.518,452 0.692,454 1.351,455 0.497,456 1.335,457 0.566,458 2.969,459 0.961,465 13.667,466 0.471,467 0.568,468 0.02,469 32.75,470 1.129,471 12.5,472 0.431,473 20.25,474 0.698,475 28.46,476 0.981,477 31.933,478 0.57,479 23.419,480 0.808,481 6.061,482 0.209,483 8.215,484 0.283,485 0.024,487 0.315,493 0.808,494 1.542,495 0.811,496 1.221,497 0.561,498 1.043,499 0.984,500 1.255,501 0.953,502 1.099,503 0.587,504 1.037,505 1.165,506 0.988,507 1.014,508 0.847,509 0.898,510 0.887,511 0.545,512 0.931,513 0.9,514 0.984,515 0.562,516 0.986,517 0.922,518 1.102,519 0.992,520 1.021,521 1.018,522 1.006,523 0.943,524 1.164,525 1.063,526 1.16,527 1.272,528 1.138,529 1.057,530 1.024,531 1.002,532 0.938,533 1.31,534 0.948,535 1.2,536 0.872,537 0.983,538 0.819,539 1.107,540 0.848,541 4.5,542 0.039,543 2.222,544 2.354,545 1.268,546 0.9,547 0.42,548 0.432,549 0.349,550 0.186,551 10888,552 23975,553 2.215,554 48.2,555 6,556 14,559 1,560 2,561 4,564 1.725,565 2.148,566 3.333,567 -0.336,568 1,569 1,573 85.113,574 1.52,575 3.531,576 4.522,577 4.888,578 5.022,579 5.022,580 2.676,581 4.513,582 4.832,583 3.47,584 1408.83,585 8.444,586 18670,588 1,590 1,591 325.212,592 1.091,593 4.82,594 0.136,595 0.002,596 0.048,597 0.051,598 0.028,599 0.02,600 0.01,601 0.011,602 0.01,603 0.006,604 0.322,605 0.17,606 0.88,607 0.335,608 145.252,609 -0.013,610 -0.286,611 0.086,612 -0.103,613 0.024,614 -0.011,615 0.054,616 -0.113,617 0.005,618 -0.078,619 0.099,620 -0.058,621 -0.135,622 0.057,623 -0.022,624 0.101,625 -0.055,626 0.065,627 0.189,628 0.108,629 0.054,630 0.005,631 0.123,632 0.006,633 -0.048,634 -0.046,635 -0.03,636 -0.03,637 -0.068,638 -0.024,639 0.043,640 -0.133,641 -0.094,642 -0.16,643 -0.026,644 -0.154,645 0.023,646 -0.042,647 0.004,648 -0.005,649 -0.022,650 0.002,651 -0.145,652 0.104,653 0.024,654 0.113,655 -0.054,656 0.104,657 1.781,658 5.322,659 0.931,660 24.224,661 0.998,662 1.134,663 3.345,664 11.191,665 0.648,666 3.526,667 3.85,668 4.159,669 4.5,670 4.754,671 4.836,672 5.017,673 5.176,674 5.257,675 5.347,676 6.185,677 0.613,678 393.54,679 3.526,680 5.069,681 5.932,682 6.823,683 7.707,684 8.608,685 9.501,686 10.407,687 11.304,688 12.213,689 8.9,692 1,696 1,697 1,698 1,699 1,703 2,704 4,705 1,709 1,710 1,711 10,731 56,733 13,734 1,735 33,737 60,738 22,739 7,740 2,741 4,742 4,746 5,747 6,755 6,758 7,761 11,762 11,766 3,771 1,773 1,774 1,775 3,778 1,781 27,782 6,783 1,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 10,855 1,856 1,858 1,859 1,870 3.6,873 1,874 1,877 13.5,878 9.883,879 6.306,880 3.763,881 2.859,882 1.357,883 1.009,884 5.384,885 10.859,886 3.738,887 4.294,888 4.876,889 5.505,890 5.998,891 6.334,892 6.737,893 7.146,894 7.322,895 7.649,896 0.857,897 46,898 10.804,900 4.681,901 7.546,902 21.328,904 18.315,905 2.046,906 59.333,908 1,909 1,910 306.049,911 91.961,912 56.605,914 36.145,917 91.961,918 342.193,919 56.605,921 46.614,922 47.381,923 62.291,924 26.281,925 2.144,926 306.049,928 306.049,929 148.567,930 36.145,933 258.964,934 72.229,935 11,937 72.895,938 49.41,939 26.262,941 306.049,942 92.75,943 91.961,946 306.049,947 44.58,948 52.405,949 18.011,950 69.716,951 306.049,952 92.75,953 91.961,955 0.574,956 0.336,957 0.202,958 0.116,959 24,960 9,961 0.067,962 4,963 1,964 1.074,965 4.09,966 271.09,967 0.074,968 27,969 132.881,974 18.834,975 8.29,976 3.964,977 2.195,978 90.851,979 8.328,980 4.922,984 0.986,985 2.399,986 18.011,987 490.76,988 41,993 12.322,995 1.582,996 4.77,997 1.288,999 55.883,1000 63.478,1001 0.262,1002 0.608,1003 0.779,1004 0.842,1005 0.865,1006 0.865,1007 4.994,1008 1.644,1009 5.9,1010 4.634,1011 4.533,1012 4.98,1013 2.316,1014 6.72,1015 4.437,1016 6.169,1017 1.35,1018 7.449,1019 4.214,1020 4.007,1021 4.758,1022 1.048,1023 7.612,1024 3.85,1025 7.47,1026 1.3,1027 9.104,1028 3.015,1029 6.116,1030 7.141,1031 2.547,1032 10.78,1033 5.912,1034 8.808,1035 1.068,1036 10.824,1037 2.923,1038 6.463,1039 7.838,1040 1.926,1041 12.586,1042 6.181,1043 10.186,1044 1,1045 12.589,1046 2.607,1047 8.007,1048 9.69,1049 3.017,1050 15.257,1051 7.684,1052 11.592,1053 1,1054 14.385,1055 2.136,1056 8.783,1057 10.834,1058 2.824,1059 17.447,1060 8.377,1061 13.022,1062 0.518,1063 16.206,1064 2.136,1065 10.09,1066 12.476,1067 3.646,1068 19.96,1069 9.638,1070 3.274,1072 18.046,1073 1.351,1074 11.075,1075 13.83,1076 3.721,1077 22.309,1078 10.543,1079 2.939,1080 11.752,1081 19.9,1083 12.286,1084 15.391,1085 4.375,1086 24.775,1087 11.703,1088 2.487,1089 9.325,1090 21.767,1091 4.591,1092 13.37,1093 16.839,1094 4.604,1095 27.189,1096 12.712,1097 2.466,1098 7.851,1099 23.644,1100 3.631,1101 14.547,1102 18.372,1103 5.16,1104 29.645,1105 13.834,1106 2.137,1107 7.394,1108 25.53,1109 3.131,1110 15.676,1111 19.861,1112 5.476,1113 32.085,1114 14.894,1115 1.823,1116 6.171,1117 27.422,1118 2.751,1119 16.844,1120 21.384,1121 5.975,1122 34.541,1123 16.003,1124 1.723,1125 5.109,1126 29.321,1127 2.592,1128 17.995,1129 22.891,1130 6.339,1131 36.993,1132 17.089,1133 10009,1134 15026,1135 23.057,1136 36.313,1137 49.91,1138 50.671,1139 50.156,1140 49.454,1141 49.458,1142 60.794,1143 9.351,1144 141.233,1145 47.157,1146 5.667,1147 5.588,1148 6.74,1149 5.319,1150 5.274,1151 7.591,1152 2.695,1153 18.92,1154 5.082,1155 6.851,1156 1.512,1157 1.535,1158 1.52,1159 1.499,1160 1.499,1161 1.842,1162 0.283,1163 4.28,1164 1.429,1165 4.147,1166 4.192,1167 4.111,1168 4.02,1169 7.43,1170 4.037,1171 3.888,1172 3.938,1173 3.835,1174 3.709,1175 5.02,1176 3.725,1177 3.806,1178 3.862,1179 3.667,1180 3.691,1181 4.75,1182 3.686,1183 3.663,1184 3.714,1185 3.556,1186 3.453,1187 4.577,1188 3.469,1189 3.43,1190 3.481,1191 3.336,1192 3.278,1193 4.336,1194 3.288,1195 3.134,1196 3.206,1197 3.007,1198 2.973,1199 4.205,1200 2.967,1201 3.111,1202 3.206,1203 2.877,1204 2.941,1205 3.892,1206 2.91,1207 3.111,1208 3.202,1209 2.866,1210 2.941,1211 3.784,1212 2.91,1213 0.141,1214 0.109,1215 0.21,1216 0.128,1217 0.099,1218 4.667,1219 0.139,1220 3.588,1221 0.046,1222 6.938,1223 0.356,1224 4.215,1225 0.093,1226 3.274,1227 4.591,1228 1.528,1229 11.752,1230 3.082,1231 1.954,1232 1.917,1233 2.113,1234 2.088,1235 1.496,1236 2.096,1237 1.841,1238 1.796,1239 1.989,1240 2.022,1241 1.209,1242 2.002,1243 1.798,1244 1.749,1245 1.949,1246 1.95,1247 1.12,1248 1.966,1249 1.617,1250 1.561,1251 1.795,1252 1.85,1253 0.994,1254 1.838,1255 1.428,1256 1.38,1257 1.581,1258 1.647,1259 0.825,1260 1.629,1261 1.153,1262 1.071,1263 1.513,1264 1.376,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.798,1272 1.429,1273 1.14,1274 1.064,1275 1.427,1276 1.342,1277 0.62,1278 1.373,1279 4.205,1281 5.525,1282 2.398,1283 7.05,1284 4.844,1285 8.666,1286 7.05,1287 10.33,1295 9.593,1296 2.932,1297 5.425,1299 0.472,1300 2.117,1305 34.331,1306 85.113,1307 197.754,1308 253.238,1309 273.702,1310 281.212,1311 281.212,1312 41.274,1313 8,1314 76.04,1315 76.04,1316 29,1317 12.732,1318 3.807,1319 3.17,1320 39.372,1321 107,1322 110,1323 0.178,1324 206.307,1325 359.66,1326 495.15,1327 34821,1329 19.631,1330 0.677,1331 0.574,1332 19.631,1333 16.641,1334 14.276,1335 0.433,1336 0.323,1337 10.514,1338 13.686,1339 10.367,1340 8.483,1341 14.276,1342 10.666,1343 12.752,1344 0.277,1345 0.174,1346 12.752,1347 8.005,1348 10.836,1349 0.172,1350 0.096,1351 10.836,1352 6.047,1353 9.852,1354 0.111,1355 0.052,1356 9.852,1357 4.648,1358 8.228,1359 0.072,1360 0.03,1361 8.228,1362 3.404,1363 0.274,1364 89.533,1365 0.208,1366 27.14,1367 0.505,1368 158,1369 418.384,1370 174.916,1371 398.636,1372 557.23,1373 378,1374 188,1375 419.85,1376 205.28,1377 418.77,1378 621.99,1379 398,1380 5.076}
{0 CHEMBL2064344,1 1.565,2 10.276,3 3.093,4 9.564,5 109.374,6 7.75,7 0.485,8 4.04,9 4.156,10 3.658,11 3.576,12 5.128,13 3.575,14 4.583,15 4.745,16 4.023,17 3.961,18 5.664,19 3.944,20 4.818,21 5.033,22 4.034,23 4.077,24 5.81,25 4.033,26 4.796,27 5.013,28 4.025,29 4.097,30 5.805,31 4.025,32 4.811,33 5.019,34 4.038,35 4.106,36 5.839,37 4.048,38 4.859,39 5.066,40 4.029,41 4.108,42 5.939,43 4.037,44 4.845,45 5.086,46 3.924,47 3.988,48 5.914,49 3.919,50 4.682,51 4.931,52 3.756,53 3.853,54 5.686,55 3.785,56 0.029,57 0.78,58 9.489,59 4.199,60 5.482,61 5.373,62 0.288,63 1.281,64 18.753,65 6.998,66 23.987,67 9.104,68 0.451,69 1.543,70 26.517,71 8.266,72 35.55,73 11.316,74 0.409,75 1.528,76 25.199,77 9.381,78 33.49,79 13.083,80 0.317,81 1.526,82 25.528,83 9.057,84 33.941,85 12.437,86 0.404,87 1.549,88 27.202,89 10.044,90 48.813,91 13.559,92 0.513,93 1.481,94 28.923,95 9.146,96 56.899,97 12.857,98 0.339,99 1.258,100 24.741,101 7.877,102 37.081,103 11.052,104 2,105 46,106 0.26,107 0.608,108 0.724,109 0.806,110 0.838,111 0.838,112 3.409,113 0.884,114 -4.62,115 -4.54,116 -4.27,119 44,121 1,125 4,135 1,139 1,142 9,144 1,146 1,152 1,158 2,161 1,172 7,174 2,175 10,178 2,180 2,183 6,186 1,187 6,195 3,198 4,199 7,202 3,207 7,211 1,212 3,220 10,223 4,224 7,229 4,232 8,236 1,237 5,240 1,242 4,245 4,250 9,255 1,258 5,262 2,263 8,271 4,275 1319,276 20.223,277 20.223,278 20.223,279 20.223,280 20.223,281 17.832,282 22.233,283 12.221,284 20.729,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.721,291 25.591,292 5.896,293 17.231,294 4.079,295 1.979,296 1.283,297 0.792,298 0.6,299 0.6,300 4.124,303 1,304 1,305 1,306 668,307 2.345,310 57.709,311 319.846,314 114.025,318 1.389,319 23.02,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 298,332 4.69,333 3.588,334 6.938,335 4.215,336 3.274,337 4.628,338 1.528,339 11.752,340 3.082,341 4.253,342 3.383,343 6.201,344 3.876,345 2.939,346 3.631,347 1.005,348 9.325,349 2.759,350 3.915,351 3.128,352 5.798,353 3.457,354 2.487,355 3.51,356 0.864,357 7.851,358 2.421,359 3.676,360 2.88,361 5.52,362 3.415,363 2.466,364 2.947,365 0.86,366 7.394,367 2.321,368 3.488,369 2.528,370 5.153,371 3.128,372 2.137,373 2.662,374 0.367,375 6.171,376 2.109,377 3.316,378 2.323,379 4.736,380 2.8,381 1.823,382 2.538,383 0.052,384 5.109,385 1.769,386 3.132,387 2.114,388 4.639,389 2.643,390 1.723,391 2.409,393 4.634,394 1.593,395 2.899,396 1.709,397 4.344,398 2.591,399 1.644,400 1.988,402 4.214,403 1.538,404 2.825,405 1.536,406 3.707,407 2.335,408 1.35,409 1.903,411 3.015,412 1.328,413 2.767,414 1.393,415 3.606,416 2.288,417 1.3,418 1.855,420 2.923,421 1.283,422 2.5,423 1.323,424 3.491,425 2,426 1.068,427 1.5,428 2.607,429 1,430 2.213,431 1.256,432 3.302,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.993,448 0.722,449 3.247,450 1.48,451 0.518,452 0.756,454 1.351,455 0.497,456 1.346,457 0.566,458 2.969,459 0.961,465 13.667,466 0.471,467 0.568,468 0.02,469 38.75,470 1.336,471 18.5,472 0.638,473 20.25,474 0.698,475 22.531,476 0.777,477 30.133,478 0.603,479 29.349,480 1.012,481 7.924,482 0.273,483 6.352,484 0.219,485 0.024,487 0.315,493 0.819,494 1.431,495 0.723,496 1.1,497 0.594,498 0.926,499 1.044,500 1.196,501 0.907,502 1.012,503 0.657,504 0.954,505 1.313,506 0.983,507 1.063,508 0.8,509 1.045,510 0.86,511 0.554,512 0.926,513 0.91,514 0.988,515 0.613,516 0.998,517 0.966,518 1.087,519 0.987,520 0.993,521 1.075,522 0.982,523 0.958,524 1.126,525 1.029,526 1.123,527 1.324,528 1.102,529 1.095,530 1.014,531 0.985,532 0.91,533 1.383,534 0.917,535 1.174,536 0.862,537 0.944,538 0.794,539 0.955,540 0.811,541 4.5,542 0.039,543 2.222,544 2.354,545 1.268,546 0.9,547 0.42,548 0.432,549 0.349,550 0.186,551 10888,552 27506,553 2.215,554 42,556 18,559 1,560 2,564 1.725,565 2.148,566 3.333,567 -0.336,568 1,569 1,573 78.237,574 1.565,575 3.664,576 4.361,577 4.852,578 5.044,579 5.044,580 2.676,581 4.513,582 4.832,583 3.47,584 1408.83,585 8.444,586 18670,588 1,590 1,591 282.193,592 1.091,593 4.82,594 0.136,595 0.002,596 0.048,597 0.051,598 0.028,599 0.02,600 0.01,601 0.011,602 0.01,603 0.006,604 0.322,605 0.17,606 0.88,607 0.335,608 145.252,609 -0.037,610 -0.281,611 0.075,612 -0.107,613 -0.03,614 -0.018,615 0.022,616 -0.09,617 -0.01,618 -0.061,619 0.04,620 -0.054,621 -0.217,622 0.089,623 -0.092,624 0.123,625 -0.139,626 0.055,627 0.2,628 0.12,629 0.023,630 -0.019,631 0.116,632 -0.03,633 -0.072,634 -0.045,635 -0.047,636 -0.029,637 -0.086,638 -0.029,639 0.051,640 -0.131,641 -0.07,642 -0.143,643 -0.026,644 -0.136,645 0.024,646 -0.033,647 0.039,648 0.035,649 -0.018,650 0.045,651 -0.142,652 0.118,653 0.078,654 0.159,655 0.028,656 0.164,657 1.82,658 5.29,659 0.931,660 24.224,661 1.005,662 1.125,663 3.386,664 11.467,665 0.681,666 3.526,667 3.85,668 4.159,669 4.5,670 4.754,671 4.836,672 5.017,673 5.176,674 5.257,675 5.347,676 6.185,677 0.655,678 387.48,679 3.526,680 5.069,681 5.932,682 6.823,683 7.707,684 8.608,685 9.501,686 10.407,687 11.304,688 12.213,689 10,692 1,696 1,697 1,698 1,699 1,703 2,704 9,705 1,709 2,710 1,711 16,731 50,733 19,734 2,735 33,737 54,738 22,739 13,740 3,741 9,742 4,746 5,747 6,758 1,761 17,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 21,782 6,783 1,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 5,855 1,856 1,859 1,870 4,873 1,874 1,877 13.5,878 8.967,879 6.306,880 3.024,881 3.812,882 1.476,883 1.035,884 4.881,885 11.811,886 3.807,887 4.404,888 5.016,889 5.672,890 6.215,891 6.562,892 7.035,893 7.499,894 7.777,895 8.145,896 0.857,897 46,898 10.726,900 4.624,901 7.644,902 20.69,904 17.264,905 2.144,906 62.167,909 1,910 235.422,911 129.427,912 56.605,914 36.145,917 129.427,918 271.567,919 56.605,921 33.941,922 94.762,923 62.291,924 29.038,925 2.144,926 235.422,928 235.422,929 186.032,930 36.145,933 235.422,934 25.145,935 11,937 60.222,938 99.548,939 26.262,941 235.422,942 92.75,943 129.427,946 235.422,947 34.664,948 99.786,949 18.011,950 69.716,951 235.422,952 92.75,953 129.427,955 0.574,956 0.336,957 0.202,958 0.116,959 24,960 9,961 0.074,962 4,963 1,964 1.074,965 4.09,966 271.09,967 0.074,968 27,969 132.881,974 18.104,975 7.819,976 3.691,977 1.943,978 90.851,979 18.154,980 4.824,984 1.863,985 2.122,986 18.011,987 457.599,988 44,993 12.29,995 1.551,996 4.719,997 1.139,999 50.232,1000 56.232,1001 0.277,1002 0.649,1003 0.773,1004 0.86,1005 0.894,1006 0.894,1007 5.043,1008 1.644,1009 5.9,1010 4.634,1011 4.533,1012 5.091,1013 2.316,1014 6.72,1015 4.437,1016 6.24,1017 1.35,1018 7.449,1019 4.214,1020 4.007,1021 4.82,1022 1.048,1023 7.612,1024 3.85,1025 7.545,1026 1.3,1027 9.104,1028 3.015,1029 6.116,1030 7.292,1031 2.547,1032 10.78,1033 5.912,1034 8.887,1035 1.068,1036 10.824,1037 2.923,1038 6.463,1039 7.925,1040 1.926,1041 12.586,1042 6.181,1043 10.267,1044 1,1045 12.589,1046 2.607,1047 8.007,1048 9.84,1049 3.017,1050 15.257,1051 7.684,1052 11.674,1053 1,1054 14.385,1055 2.136,1056 8.783,1057 10.932,1058 2.824,1059 17.447,1060 8.377,1061 13.104,1062 0.518,1063 16.206,1064 2.136,1065 10.09,1066 12.611,1067 3.646,1068 19.96,1069 9.638,1070 3.274,1072 18.046,1073 1.351,1074 11.075,1075 13.935,1076 3.721,1077 22.309,1078 10.543,1079 2.939,1080 11.752,1081 19.9,1083 12.286,1084 15.516,1085 4.375,1086 24.775,1087 11.703,1088 2.487,1089 9.325,1090 21.767,1091 4.628,1092 13.37,1093 16.95,1094 4.604,1095 27.189,1096 12.712,1097 2.466,1098 7.851,1099 23.644,1100 3.631,1101 14.547,1102 18.494,1103 5.16,1104 29.645,1105 13.834,1106 2.137,1107 7.394,1108 25.53,1109 3.51,1110 15.676,1111 19.979,1112 5.476,1113 32.085,1114 14.894,1115 1.823,1116 6.171,1117 27.422,1118 2.947,1119 16.844,1120 21.511,1121 5.975,1122 34.541,1123 16.003,1124 1.723,1125 5.109,1126 29.321,1127 2.662,1128 17.995,1129 23.021,1130 6.339,1131 36.993,1132 17.089,1133 10009,1134 16050,1135 23.057,1136 34.029,1137 50.029,1138 50.671,1139 50.156,1140 49.454,1141 49.458,1142 64.963,1143 9.351,1144 141.233,1145 47.157,1146 5.69,1147 5.588,1148 6.74,1149 5.319,1150 5.274,1151 7.628,1152 2.695,1153 18.92,1154 5.082,1155 6.851,1156 1.516,1157 1.535,1158 1.52,1159 1.499,1160 1.499,1161 1.969,1162 0.283,1163 4.28,1164 1.429,1165 4.15,1166 4.191,1167 4.122,1168 4.031,1169 7.43,1170 4.048,1171 3.888,1172 3.939,1173 3.835,1174 3.764,1175 5.044,1176 3.756,1177 3.822,1178 3.854,1179 3.748,1180 3.697,1181 4.75,1182 3.724,1183 3.663,1184 3.714,1185 3.556,1186 3.453,1187 4.708,1188 3.468,1189 3.416,1190 3.463,1191 3.332,1192 3.268,1193 4.577,1194 3.28,1195 3.111,1196 3.206,1197 2.982,1198 2.941,1199 4.298,1200 2.92,1201 3.069,1202 3.125,1203 2.872,1204 2.914,1205 3.893,1206 2.91,1207 2.944,1208 2.996,1209 2.866,1210 2.79,1211 3.827,1212 2.788,1213 0.142,1214 0.109,1215 0.21,1216 0.128,1217 0.099,1218 4.69,1219 0.14,1220 3.588,1221 0.046,1222 6.938,1223 0.356,1224 4.215,1225 0.093,1226 3.274,1227 4.628,1228 1.528,1229 11.752,1230 3.082,1231 1.963,1232 1.934,1233 2.057,1234 2.071,1235 1.21,1236 2.066,1237 1.846,1238 1.816,1239 1.965,1240 2.021,1241 1.177,1242 2.002,1243 1.798,1244 1.752,1245 1.946,1246 1.931,1247 1.033,1248 1.941,1249 1.613,1250 1.559,1251 1.787,1252 1.842,1253 0.955,1254 1.83,1255 1.407,1256 1.363,1257 1.544,1258 1.613,1259 0.825,1260 1.593,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.636,1266 1.429,1267 1.03,1268 0.976,1269 1.231,1270 1.224,1271 0.359,1272 1.23,1273 0.933,1274 0.879,1275 1.181,1276 1.155,1277 0.218,1278 1.132,1279 4.205,1281 5.525,1282 2.398,1283 7.05,1284 4.844,1285 8.666,1286 7.05,1287 10.33,1295 3.19,1296 2.88,1297 5.407,1300 2.086,1305 32.751,1306 78.237,1307 183.225,1308 218.054,1309 242.583,1310 252.193,1311 252.193,1312 37.885,1313 8,1314 76.04,1315 76.04,1316 29,1317 12.732,1318 4.322,1319 3.585,1320 39.372,1321 107,1322 110,1323 0.178,1324 197.525,1325 340.84,1326 473.721,1327 34821,1329 19.631,1330 0.677,1331 0.549,1332 19.631,1333 15.914,1334 14.276,1335 0.433,1336 0.295,1337 9.574,1338 13.686,1339 9.428,1340 7.727,1341 14.276,1342 9.725,1343 12.752,1344 0.277,1345 0.152,1346 12.752,1347 7.014,1348 10.836,1349 0.172,1350 0.081,1351 10.836,1352 5.082,1353 9.852,1354 0.111,1355 0.042,1356 9.852,1357 3.742,1358 8.228,1359 0.072,1360 0.023,1361 8.228,1362 2.592,1363 0.274,1364 89.533,1365 0.208,1366 27.14,1367 0.505,1368 158,1369 450.384,1370 174.916,1371 433.181,1372 605.74,1373 410,1374 188,1375 457.202,1376 205.28,1377 458.587,1378 678.14,1379 435,1380 5.168}
{0 CHEMBL2064345,1 1.545,2 10.9,3 3.1,4 9.607,5 114.209,6 7.576,7 0.471,8 4.09,9 4.208,10 3.687,11 3.624,12 5.158,13 3.617,14 4.64,15 4.81,16 4.044,17 4.012,18 5.695,19 3.987,20 4.875,21 5.09,22 4.045,23 4.132,24 5.842,25 4.072,26 4.885,27 5.118,28 4.005,29 4.131,30 5.838,31 4.039,32 4.874,33 5.104,34 4.04,35 4.12,36 5.843,37 4.053,38 4.894,39 5.101,40 4.081,41 4.157,42 5.962,43 4.092,44 4.917,45 5.147,46 4.028,47 4.109,48 5.973,49 4.037,50 4.822,51 5.067,52 3.847,53 4.001,54 5.808,55 3.919,56 0.019,57 0.82,58 10.474,59 4.534,60 6.03,61 5.936,62 0.295,63 1.347,64 20.678,65 7.517,66 25.34,67 10.028,68 0.408,69 1.616,70 28.333,71 9.15,72 36.459,73 12.784,74 0.43,75 1.632,76 28.723,77 10.312,78 38.042,79 14.73,80 0.32,81 1.583,82 28.71,83 9.8,84 35.965,85 13.956,86 0.428,87 1.616,88 28.63,89 10.112,90 49.399,91 13.834,92 0.46,93 1.602,94 30.575,95 10.213,96 55.913,97 14.42,98 0.378,99 1.452,100 28.333,101 9.015,102 44.453,103 12.752,104 2,105 47,106 0.254,107 0.604,108 0.736,109 0.812,110 0.842,111 0.842,112 3.441,113 0.897,114 -4.56,115 -4.49,116 -4.22,119 43.4,121 1,125 5,135 1,139 1,142 9,143 1,146 1,152 1,158 2,161 1,172 9,174 2,175 9,178 2,180 2,183 8,186 1,187 6,195 4,198 4,199 7,202 3,207 5,211 1,212 4,220 8,223 4,224 7,229 3,232 9,236 1,237 6,240 1,242 4,245 8,250 8,255 2,258 7,262 2,263 9,268 1,271 5,275 1520,276 20.878,277 20.878,278 20.878,279 20.878,280 20.878,281 18.424,282 24.29,283 12.649,284 21.381,285 16.897,286 16.897,287 16.897,288 16.897,289 16.897,290 13.143,291 33.398,292 6.127,293 17.719,294 4.183,295 2.052,296 1.248,297 0.785,298 0.604,299 0.604,300 4.156,304 1,305 1,306 730,307 2.55,310 61.531,311 339.973,314 120.86,318 1.453,319 23.835,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 327,332 4.635,333 3.586,334 6.762,335 4.152,336 3.21,337 4.576,338 1.528,339 11.132,340 3.026,341 4.253,342 3.335,343 6.201,344 3.875,345 2.937,346 3.631,347 1.005,348 9.324,349 2.758,350 3.901,351 3.125,352 5.659,353 3.5,354 2.507,355 3.454,356 0.864,357 7.603,358 2.491,359 3.701,360 2.877,361 5.443,362 3.423,363 2.48,364 3.042,365 0.86,366 7.211,367 2.33,368 3.527,369 2.683,370 5.255,371 3.171,372 2.187,373 2.691,374 0.522,375 6.49,376 2.144,377 3.366,378 2.332,379 4.887,380 2.878,381 1.903,382 2.557,383 0.367,384 5.469,385 1.84,386 3.145,387 2.188,388 4.685,389 2.657,390 1.732,391 2.414,392 0.052,393 4.905,394 1.606,395 2.9,396 1.82,397 4.344,398 2.597,399 1.66,400 2.052,402 4.215,403 1.538,404 2.885,405 1.536,406 3.749,407 2.432,408 1.438,409 1.985,411 3.135,412 1.429,413 2.822,414 1.507,415 3.612,416 2.335,417 1.35,418 1.869,420 2.961,421 1.327,422 2.5,423 1.388,424 3.493,425 2,426 1.07,427 1.5,428 2.609,429 1,430 2.217,431 1.256,432 3.47,433 1.952,434 1,435 1.158,436 2.136,437 0.946,438 2.191,439 1,440 3.247,441 1.951,442 1,443 1.078,445 2.136,446 0.936,447 2,448 0.937,449 3.247,450 1.769,451 0.803,452 1,454 2.088,455 0.774,456 1.41,457 0.719,458 2.97,459 1.028,460 0.07,461 0.088,463 0.193,464 0.067,465 14.167,466 0.472,467 0.585,468 0.019,469 39.25,470 1.308,471 18.5,472 0.617,473 20.75,474 0.692,475 24.162,476 0.805,477 31.433,478 0.593,479 29.847,480 0.995,481 8.045,482 0.268,483 6.715,484 0.224,485 0.024,487 0.304,493 0.815,494 1.435,495 0.745,496 1.115,497 0.593,498 0.947,499 1.069,500 1.146,501 0.934,502 0.99,503 0.663,504 0.951,505 1.252,506 1.062,507 1.094,508 0.914,509 1.041,510 0.958,511 0.583,512 0.96,513 0.969,514 1.033,515 0.636,516 1.049,517 0.925,518 1.049,519 0.897,520 0.923,521 1.012,522 0.899,523 1.063,524 1.041,525 1.035,526 1.023,527 1.378,528 1.026,529 1.014,530 1.071,531 0.96,532 0.968,533 1.321,534 0.953,535 1.26,536 0.903,537 1.06,538 0.851,539 1.164,540 0.901,541 5,542 0.089,543 2.222,544 2.076,545 1.298,546 0.976,547 0.475,548 0.421,549 0.308,550 0.228,551 12171,552 30087,553 2.207,554 43.4,556 20,559 1,560 2,564 1.734,565 2.143,566 3.419,567 -0.349,568 1,569 1,573 81.886,574 1.545,575 3.676,576 4.48,577 4.943,578 5.124,579 5.124,580 2.819,581 4.415,582 4.879,583 3.55,584 1544.31,585 8.541,586 21223.2,588 1,590 1,591 303.58,592 1.075,593 4.87,594 0.147,595 0.004,596 0.047,597 0.045,598 0.03,599 0.021,600 0.01,601 0.01,602 0.008,603 0.007,604 0.329,605 0.17,606 0.88,607 0.327,608 152.72,609 -0.028,610 -0.271,611 0.075,612 -0.102,613 -0.02,614 -0.016,615 0.013,616 -0.031,617 -0.019,618 -0.03,619 0.04,620 -0.037,621 -0.184,622 0.002,623 -0.126,624 0.025,625 -0.139,626 -0.029,627 0.186,628 0.075,629 -0.017,630 -0.068,631 0.092,632 -0.076,633 -0.023,634 -0.031,635 0.073,636 0.043,637 -0.034,638 0.071,639 0.007,640 -0.011,641 -0.073,642 -0.055,643 -0.044,644 -0.076,645 0.054,646 -0.08,647 0.035,648 -0.006,649 0.005,650 0.012,651 -0.2,652 0.097,653 -0.055,654 0.096,655 -0.098,656 0.058,657 1.813,658 5.311,659 0.9,660 27.578,661 1.002,662 1.125,663 3.333,664 11.11,665 0.675,666 3.555,667 3.871,668 4.159,669 4.477,670 4.727,671 4.796,672 4.984,673 5.147,674 5.252,675 5.342,676 6.495,677 0.647,678 401.51,679 3.555,680 5.094,681 5.948,682 6.83,683 7.703,684 8.594,685 9.477,686 10.372,687 11.261,688 12.159,689 9.4,692 1,696 1,697 1,698 1,699 1,703 2,704 9,705 1,709 2,710 1,711 16,731 53,733 19,734 2,735 34,737 57,738 23,739 13,740 3,741 9,742 4,746 5,747 6,758 1,761 17,762 6,766 3,771 1,773 1,774 1,775 3,778 1,781 23,782 6,783 1,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 30,854 6,855 1,856 1,859 1,870 3.8,873 1,874 1,877 14,878 9.467,879 6.528,880 3.199,881 3.784,882 1.47,883 1.028,884 5.348,885 11.832,886 3.829,887 4.416,888 4.996,889 5.614,890 6.126,891 6.409,892 6.856,893 7.316,894 7.593,895 7.965,896 1,897 46,898 11.107,900 4.765,901 7.622,902 21.506,904 17.927,905 2.122,906 63.667,909 1,910 258.964,911 131.961,912 56.605,914 36.145,917 131.961,918 295.109,919 56.605,921 36.047,922 94.762,923 62.291,924 29.467,925 2.144,926 258.964,928 258.964,929 188.566,930 36.145,933 258.964,934 25.145,935 11,937 62.328,938 99.976,939 26.262,941 258.964,942 92.75,943 131.961,946 258.964,947 37.199,948 99.786,949 18.011,950 69.716,951 258.964,952 92.75,953 131.961,955 0.573,956 0.331,957 0.193,958 0.11,959 24,960 9,961 0.088,962 5,963 1,964 1.074,965 4.213,966 279.408,967 0.074,968 27,969 139.207,974 19.042,975 8.425,976 4.186,977 2.012,978 90.851,979 18.422,980 4.843,984 2.077,985 2.2,986 18.011,987 483.675,988 45,993 12.311,995 1.557,996 4.732,997 1.17,999 53.116,1000 59.647,1001 0.27,1002 0.642,1003 0.782,1004 0.863,1005 0.895,1006 0.895,1007 5.063,1008 1.66,1009 5.911,1010 4.905,1011 4.554,1012 5.103,1013 2.368,1014 6.708,1015 4.462,1016 6.254,1017 1.438,1018 7.447,1019 4.215,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.863,1025 7.553,1026 1.35,1027 9.085,1028 3.135,1029 6.12,1030 7.286,1031 2.559,1032 10.682,1033 5.929,1034 8.887,1035 1.07,1036 10.785,1037 2.961,1038 6.431,1039 7.891,1040 1.926,1041 12.403,1042 6.17,1043 10.258,1044 1,1045 12.528,1046 2.609,1047 7.98,1048 9.806,1049 3.019,1050 15.042,1051 7.676,1052 11.654,1053 1,1054 14.302,1055 2.136,1056 8.717,1057 10.869,1058 2.824,1059 17.15,1060 8.336,1061 13.072,1062 0.803,1063 16.097,1064 2.136,1065 10.02,1066 12.545,1067 3.647,1068 19.619,1069 9.595,1070 3.21,1071 0.07,1072 17.911,1073 2.088,1074 10.97,1075 13.844,1076 3.721,1077 21.894,1078 10.468,1079 2.937,1080 11.132,1081 19.739,1082 0.193,1083 12.171,1084 15.419,1085 4.375,1086 24.308,1087 11.618,1088 2.507,1089 9.324,1090 21.578,1091 4.576,1092 13.224,1093 16.833,1094 4.604,1095 26.653,1096 12.597,1097 2.48,1098 7.603,1099 23.427,1100 3.631,1101 14.385,1102 18.369,1103 5.16,1104 29.053,1105 13.703,1106 2.187,1107 7.211,1108 25.284,1109 3.454,1110 15.487,1111 19.838,1112 5.476,1113 31.43,1114 14.736,1115 1.903,1116 6.49,1117 27.148,1118 3.042,1119 16.635,1120 21.36,1121 5.975,1122 33.828,1123 15.827,1124 1.732,1125 5.469,1126 29.018,1127 2.691,1128 17.762,1129 22.855,1130 6.339,1131 36.219,1132 16.888,1133 11198,1134 17750,1135 23.75,1136 35.79,1137 51.202,1138 51.973,1139 51.108,1140 50.675,1141 50.695,1142 66.187,1143 10.394,1144 143.21,1145 48.423,1146 5.635,1147 5.586,1148 6.564,1149 5.256,1150 5.21,1151 7.576,1152 2.695,1153 18.195,1154 5.026,1155 7.039,1156 1.506,1157 1.529,1158 1.503,1159 1.49,1160 1.491,1161 1.947,1162 0.306,1163 4.212,1164 1.424,1165 4.141,1166 4.184,1167 4.107,1168 4.018,1169 7.43,1170 4.034,1171 3.888,1172 3.938,1173 3.834,1174 3.819,1175 5.026,1176 3.811,1177 3.874,1178 3.906,1179 3.802,1180 3.697,1181 4.75,1182 3.724,1183 3.663,1184 3.715,1185 3.557,1186 3.457,1187 4.737,1188 3.471,1189 3.455,1190 3.506,1191 3.366,1192 3.302,1193 4.577,1194 3.314,1195 3.162,1196 3.222,1197 3.043,1198 3.015,1199 4.311,1200 3.01,1201 3.111,1202 3.206,1203 2.891,1204 2.941,1205 3.895,1206 2.91,1207 2.977,1208 3.04,1209 2.866,1210 2.83,1211 3.887,1212 2.833,1213 0.136,1214 0.105,1215 0.199,1216 0.122,1217 0.094,1218 4.635,1219 0.135,1220 3.586,1221 0.045,1222 6.762,1223 0.327,1224 4.152,1225 0.089,1226 3.21,1227 4.576,1228 1.528,1229 11.132,1230 3.026,1231 1.955,1232 1.924,1233 2.065,1234 2.064,1235 1.228,1236 2.064,1237 1.874,1238 1.846,1239 1.987,1240 2.021,1241 1.207,1242 2.002,1243 1.805,1244 1.758,1245 1.949,1246 1.954,1247 1.07,1248 1.967,1249 1.629,1250 1.573,1251 1.801,1252 1.858,1253 0.982,1254 1.845,1255 1.459,1256 1.411,1257 1.603,1258 1.681,1259 0.825,1260 1.659,1261 1.163,1262 1.104,1263 1.513,1264 1.376,1265 0.706,1266 1.429,1267 1.153,1268 1.064,1269 1.415,1270 1.351,1271 0.589,1272 1.374,1273 0.938,1274 0.881,1275 1.181,1276 1.163,1277 0.236,1278 1.15,1279 4.234,1281 5.549,1282 2.398,1283 7.062,1284 4.844,1285 8.663,1286 7.034,1287 10.309,1295 3.942,1296 2.893,1297 5.415,1300 2.092,1305 34.278,1306 81.886,1307 194.812,1308 237.441,1309 261.97,1310 271.58,1311 271.58,1312 40.333,1313 8.048,1314 76.04,1315 76.04,1316 29,1317 12.685,1318 4.322,1319 3.585,1320 41.35,1321 115,1322 118,1323 0.171,1324 207.117,1325 358.14,1326 497.126,1327 37874,1329 20.338,1330 0.678,1331 0.554,1332 20.338,1333 16.621,1334 14.759,1335 0.434,1336 0.299,1337 10.017,1338 14.168,1339 9.847,1340 8.076,1341 14.759,1342 10.171,1343 13.18,1344 0.28,1345 0.158,1346 13.18,1347 7.415,1348 11.089,1349 0.176,1350 0.085,1351 11.089,1352 5.355,1353 9.866,1354 0.113,1355 0.045,1356 9.866,1357 3.885,1358 8.228,1359 0.073,1360 0.024,1361 8.228,1362 2.716,1363 0.265,1364 92.469,1365 0.205,1366 28.074,1367 0.481,1368 162,1369 454.384,1370 178.583,1371 437.48,1372 608.74,1373 414,1374 191,1375 454.498,1376 208.113,1377 457.585,1378 673.54,1379 433,1380 5.242}
{0 CHEMBL2064346,1 1.565,2 11.621,3 2.829,4 8,5 109.836,6 7.75,7 0.485,8 4.04,9 4.157,10 3.654,11 3.582,12 5.13,13 3.58,14 4.579,15 4.74,16 4.017,17 3.975,18 5.665,19 3.954,20 4.813,21 5.024,22 4.012,23 4.088,24 5.813,25 4.035,26 4.79,27 5.012,28 3.988,29 4.076,30 5.809,31 3.995,32 4.778,33 4.998,34 3.962,35 4.027,36 5.808,37 3.968,38 4.766,39 4.976,40 3.903,41 3.98,42 5.85,43 3.909,44 4.71,45 4.952,46 3.748,47 3.823,48 5.761,49 3.749,50 4.538,51 4.795,52 3.571,53 3.691,54 5.469,55 3.613,56 0.038,57 0.779,58 9.523,59 4.204,60 5.667,61 5.361,62 0.287,63 1.271,64 18.634,65 7.166,66 23.612,67 9.271,68 0.428,69 1.524,70 26.17,71 8.592,72 35.501,73 11.671,74 0.388,75 1.501,76 25.297,77 9.594,78 35.862,79 13.436,80 0.333,81 1.46,82 25.349,83 8.558,84 36.501,85 11.903,86 0.412,87 1.397,88 25.089,89 8.879,90 48.945,91 11.975,92 0.488,93 1.271,94 25.573,95 7.995,96 54.056,97 11.192,98 0.298,99 1.089,100 21.646,101 6.808,102 29.778,103 9.702,104 2,105 46,106 0.26,107 0.626,108 0.742,109 0.808,110 0.838,111 0.838,112 3.408,113 0.884,114 -4.35,115 -4.28,116 -4.04,119 44,121 1,125 4,135 1,139 1,142 8,143 2,146 1,152 1,158 2,161 1,172 10,174 1,175 6,178 3,180 4,183 11,186 1,187 3,192 2,195 9,198 3,199 5,202 3,203 1,204 2,207 9,211 1,212 3,217 2,220 8,223 2,224 4,227 2,229 5,232 5,236 1,237 4,240 1,242 4,245 3,250 6,255 2,258 3,262 1,263 8,266 1,268 2,271 3,275 1295,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 17.808,282 17.74,283 12.142,284 20.638,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.737,291 22.177,292 5.866,293 17.148,294 4.079,295 1.875,296 1.175,297 0.775,298 0.6,299 0.6,300 4.124,303 1,304 1,305 1,306 756,307 2.345,310 58.02,311 339.764,314 113.778,318 1.66,319 24.222,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 337,332 4.614,333 3.582,334 6.717,335 4.149,336 3.175,337 4.56,338 1.528,339 10.957,340 3.099,341 4.259,342 3.22,343 6.203,344 3.885,345 2.946,346 3.648,347 1.005,348 9.332,349 2.77,350 4.006,351 3.125,352 5.859,353 3.601,354 2.636,355 3.573,356 0.864,357 8.246,358 2.543,359 3.672,360 2.937,361 5.51,362 3.394,363 2.444,364 2.947,365 0.86,366 7.345,367 2.31,368 3.488,369 2.583,370 5.084,371 3.125,372 2.132,373 2.671,374 0.367,375 6.109,376 2.107,377 3.321,378 2.312,379 4.708,380 2.81,381 1.828,382 2.573,383 0.052,384 5.066,385 1.789,386 3.185,387 2.108,388 4.634,389 2.688,390 1.735,391 2.446,393 4.721,394 1.655,395 2.904,396 1.755,397 4.342,398 2.61,399 1.685,400 2.024,402 4.212,403 1.542,404 2.847,405 1.536,406 4.04,407 2.361,408 1.384,409 1.87,411 3.433,412 1.349,413 2.705,414 1.416,415 3.539,416 2.207,417 1.219,418 1.802,420 2.788,421 1.203,422 2.5,423 1.256,424 3.491,425 2,426 1.068,427 1.5,428 2.607,429 1,430 2.213,431 1.221,432 3.247,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.956,448 0.721,449 3.211,450 1.417,451 0.47,452 0.695,454 1.269,455 0.444,456 1.318,457 0.472,458 2.961,459 0.91,460 -0.052,461 -0.06,463 -0.152,464 -0.049,465 13.667,466 0.471,467 0.585,468 0.02,469 38.5,470 1.328,471 18.5,472 0.638,473 20,474 0.69,475 22.337,476 0.77,477 30.133,478 0.603,479 28.612,480 0.987,481 7.863,482 0.271,483 6.396,484 0.221,485 0.024,487 0.322,493 0.839,494 1.346,495 0.735,496 1.051,497 0.61,498 0.899,499 1.011,500 1.126,501 0.905,502 0.995,503 0.656,504 0.949,505 1.247,506 0.979,507 1.08,508 0.855,509 1.053,510 0.914,511 0.488,512 0.961,513 0.892,514 1.035,515 0.608,516 1.029,517 1.018,518 1.084,519 0.997,520 0.973,521 1.122,522 0.966,523 1.072,524 1.106,525 1.087,526 1.117,527 1.427,528 1.112,529 1.166,530 1.02,531 1.025,532 0.923,533 1.533,534 0.942,535 1.115,536 0.894,537 0.946,538 0.794,539 0.793,540 0.821,541 5,542 0.134,543 2.222,544 2.069,545 1.089,546 0.99,547 0.489,548 0.298,549 0.198,550 0.196,551 11756,552 29586,553 2.215,554 42,556 17,559 2,560 2,564 1.719,565 2.148,566 3.516,567 0.228,568 1,569 1,573 78.237,574 1.565,575 3.769,576 4.469,577 4.869,578 5.044,579 5.044,580 2.918,581 4.487,582 4.831,583 3.646,584 1480.22,585 8.413,586 19963.4,588 1,590 1,591 282.193,592 1.091,593 4.82,594 0.152,595 0.006,596 0.048,597 0.046,598 0.025,599 0.024,600 0.013,601 0.009,602 0.007,603 0.007,604 0.337,605 0.17,606 0.88,607 0.335,608 147.302,609 -0.058,610 -0.193,611 0.063,612 -0.057,613 -0.039,614 0.01,615 0.024,616 -0.029,617 -0.015,618 -0.031,619 0.044,620 -0.039,621 -0.198,622 0.076,623 -0.119,624 0.086,625 -0.144,626 0.015,627 0.238,628 0.061,629 0.047,630 -0.055,631 0.134,632 -0.045,633 -0.078,634 -0.049,635 -0.033,636 -0.022,637 -0.094,638 -0.015,639 0.027,640 -0.107,641 -0.111,642 -0.152,643 -0.033,644 -0.159,645 0.026,646 -0.055,647 0.014,648 0.022,649 -0.046,650 0.021,651 -0.133,652 0.08,653 0.083,654 0.157,655 -0.018,656 0.162,657 1.822,658 5.171,659 0.931,660 26.516,661 1.005,662 1.125,663 3.118,664 9.723,665 0.681,666 3.526,667 3.85,668 4.143,669 4.466,670 4.7,671 4.771,672 4.942,673 5.088,674 5.182,675 5.298,676 6.76,677 0.655,678 387.48,679 3.526,680 5.069,681 5.927,682 6.812,683 7.687,684 8.579,685 9.461,686 10.356,687 11.242,688 12.139,689 10,692 1,696 1,697 1,698 1,699 1,703 2,704 8,705 1,706 1,709 3,711 16,731 50,733 19,734 2,735 33,737 54,738 22,739 13,740 4,741 8,742 4,746 5,747 6,758 1,761 17,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 21,782 6,783 2,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 5,855 1,856 1,859 1,870 4,873 1,874 1,877 13.5,878 8.933,879 6.278,880 3.012,881 3.794,882 1.467,883 1.041,884 4.881,885 11.915,886 3.807,887 4.404,888 5.006,889 5.651,890 6.179,891 6.52,892 6.991,893 7.448,894 7.752,895 8.155,896 0.875,897 45,898 10.726,900 4.634,901 7.649,902 20.682,904 17.301,905 2.149,906 62.333,909 1,910 223.651,911 123.565,912 71.492,914 36.145,917 123.565,918 259.796,919 71.492,921 33.941,922 85.286,923 62.291,924 47.539,925 2.144,926 223.651,928 223.651,929 195.056,930 36.145,933 223.651,934 25.145,935 11,937 75.109,938 93.686,939 26.262,941 223.651,942 107.636,943 123.565,946 223.651,947 38.279,948 88.411,949 34.796,950 69.716,951 223.651,952 107.636,953 123.565,955 0.576,956 0.335,957 0.197,958 0.11,959 24,960 9,961 0.074,962 4,963 1,964 1.074,965 4.171,966 265.131,967 0.074,968 27,969 132.881,974 18.104,975 7.819,976 3.818,977 1.883,978 90.851,979 16.303,980 4.805,981 3.366,984 2.969,986 34.796,987 454.852,988 44,993 12.171,995 1.543,996 4.658,997 1.13,999 50.232,1000 56.232,1001 0.277,1002 0.668,1003 0.792,1004 0.863,1005 0.894,1006 0.894,1007 5.043,1008 1.685,1009 5.894,1010 4.721,1011 4.533,1012 5.091,1013 2.316,1014 6.698,1015 4.45,1016 6.24,1017 1.384,1018 7.435,1019 4.212,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.897,1025 7.543,1026 1.219,1027 9.077,1028 3.433,1029 6.107,1030 7.286,1031 2.547,1032 10.678,1033 5.947,1034 8.881,1035 1.068,1036 10.78,1037 2.788,1038 6.431,1039 7.9,1040 1.926,1041 12.39,1042 6.241,1043 10.254,1044 1,1045 12.525,1046 2.607,1047 7.969,1048 9.812,1049 3.017,1050 15.023,1051 7.738,1052 11.652,1053 1,1054 14.299,1055 2.136,1056 8.708,1057 10.875,1058 2.824,1059 17.107,1060 8.447,1061 13.071,1062 0.47,1063 16.094,1064 2.136,1065 10.002,1066 12.548,1067 3.646,1068 19.564,1069 9.706,1070 3.175,1071 -0.052,1072 17.906,1073 1.269,1074 10.946,1075 13.841,1076 3.721,1077 21.81,1078 10.621,1079 2.946,1080 10.957,1081 19.731,1082 -0.152,1083 12.137,1084 15.412,1085 4.375,1086 24.208,1087 11.782,1088 2.636,1089 9.332,1090 21.566,1091 4.56,1092 13.179,1093 16.819,1094 4.604,1095 26.527,1096 12.797,1097 2.444,1098 8.246,1099 23.41,1100 3.648,1101 14.329,1102 18.349,1103 5.16,1104 28.908,1105 13.92,1106 2.132,1107 7.345,1108 25.261,1109 3.573,1110 15.418,1111 19.811,1112 5.476,1113 31.26,1114 14.985,1115 1.828,1116 6.109,1117 27.118,1118 2.947,1119 16.555,1120 21.328,1121 5.975,1122 33.64,1123 16.097,1124 1.735,1125 5.066,1126 28.981,1127 2.671,1128 17.667,1129 22.816,1130 6.339,1131 36.009,1132 17.186,1133 10758,1134 17209,1135 23.057,1136 34.029,1137 50.004,1138 50.642,1139 49.944,1140 49.398,1141 49.443,1142 64.927,1143 9.351,1144 140.71,1145 47.379,1146 5.614,1147 5.582,1148 6.519,1149 5.253,1150 5.175,1151 7.56,1152 2.695,1153 18.158,1154 5.099,1155 6.943,1156 1.515,1157 1.535,1158 1.513,1159 1.497,1160 1.498,1161 1.967,1162 0.283,1163 4.264,1164 1.436,1165 4.139,1166 4.177,1167 4.106,1168 4.042,1169 7.43,1170 4.052,1171 3.894,1172 3.942,1173 3.842,1174 3.763,1175 5.066,1176 3.767,1177 3.834,1178 3.873,1179 3.764,1180 3.693,1181 4.755,1182 3.716,1183 3.658,1184 3.708,1185 3.553,1186 3.45,1187 4.723,1188 3.466,1189 3.42,1190 3.468,1191 3.332,1192 3.271,1193 4.574,1194 3.282,1195 3.111,1196 3.206,1197 2.972,1198 2.941,1199 4.303,1200 2.912,1201 3.062,1202 3.121,1203 2.889,1204 2.911,1205 3.893,1206 2.91,1207 2.979,1208 3.028,1209 2.869,1210 2.873,1211 3.848,1212 2.873,1213 0.14,1214 0.109,1215 0.204,1216 0.126,1217 0.096,1218 4.614,1219 0.138,1220 3.582,1221 0.046,1222 6.717,1223 0.332,1224 4.149,1225 0.094,1226 3.175,1227 4.56,1228 1.528,1229 10.957,1230 3.099,1231 2,1232 1.979,1233 2.086,1234 2.069,1235 1.212,1236 2.075,1237 1.81,1238 1.762,1239 1.951,1240 2.028,1241 1.209,1242 2.006,1243 1.771,1244 1.737,1245 1.9,1246 1.891,1247 1,1248 1.894,1249 1.623,1250 1.567,1251 1.798,1252 1.844,1253 0.946,1254 1.837,1255 1.422,1256 1.375,1257 1.563,1258 1.656,1259 0.825,1260 1.628,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.635,1266 1.429,1267 1.024,1268 0.973,1269 1.233,1270 1.23,1271 0.338,1272 1.237,1273 0.95,1274 0.896,1275 1.181,1276 1.155,1277 0.227,1278 1.132,1279 4.205,1281 5.525,1282 2.398,1283 7.045,1284 4.727,1285 8.654,1286 6.843,1287 10.309,1295 3.198,1296 2.841,1297 5.388,1300 2.078,1305 32.751,1306 78.237,1307 188.444,1308 223.438,1309 243.438,1310 252.193,1311 252.193,1312 38.616,1313 8.121,1314 86.9,1315 86.9,1316 29,1317 12.665,1318 4.322,1319 3.585,1320 39.63,1321 119,1322 110,1323 0.163,1324 197.525,1325 340.84,1326 473.721,1327 41800,1329 19.631,1330 0.677,1331 0.548,1332 19.631,1333 15.89,1334 14.259,1335 0.432,1336 0.295,1337 9.576,1338 13.696,1339 9.425,1340 7.725,1341 14.259,1342 9.721,1343 12.826,1344 0.279,1345 0.154,1346 12.826,1347 7.078,1348 10.825,1349 0.175,1350 0.082,1351 10.825,1352 5.094,1353 9.76,1354 0.113,1355 0.043,1356 9.76,1357 3.708,1358 7.987,1359 0.073,1360 0.023,1361 7.987,1362 2.532,1363 0.256,1364 89.34,1365 0.208,1366 27.535,1367 0.444,1368 158,1369 447.072,1370 173.889,1371 431.593,1372 601.37,1373 408,1374 187,1375 450.23,1376 202.781,1377 453.917,1378 668.8,1379 430,1380 5.259}
{0 CHEMBL2064347,1 1.545,2 11.567,3 3.034,4 9.208,5 114.732,6 7.576,7 0.471,8 4.09,9 4.208,10 3.687,11 3.624,12 5.164,13 3.617,14 4.64,15 4.812,16 4.055,17 4.019,18 5.694,19 3.996,20 4.86,21 5.065,22 4.088,23 4.161,24 5.854,25 4.109,26 4.886,27 5.102,28 4.06,29 4.183,30 5.889,31 4.096,32 4.91,33 5.141,34 4.051,35 4.144,36 5.896,37 4.071,38 4.887,39 5.103,40 3.998,41 4.104,42 5.937,43 4.028,44 4.853,45 5.094,46 3.885,47 3.992,48 5.883,49 3.907,50 4.742,51 4.999,52 3.688,53 3.875,54 5.678,55 3.78,56 0.019,57 0.82,58 10.474,59 4.534,60 6.23,61 5.936,62 0.311,63 1.344,64 20.836,65 7.517,66 25.174,67 10.034,68 0.394,69 1.607,70 27.484,71 9.167,72 33.891,73 12.648,74 0.393,75 1.659,76 27.86,77 10.547,78 37.586,79 14.826,80 0.321,81 1.64,82 29.78,83 10.19,84 38.938,85 14.547,86 0.452,87 1.587,88 28.871,89 9.823,90 50.304,91 13.547,92 0.453,93 1.464,94 29.302,95 9.63,96 53.7,97 13.686,98 0.375,99 1.307,100 26.828,101 8.412,102 42.472,103 11.975,104 5,105 48,106 0.254,107 0.61,108 0.744,109 0.806,110 0.833,111 0.833,112 3.441,113 0.893,114 -4.56,115 -4.49,116 -4.22,119 43.4,121 1,124 1,125 4,135 1,139 1,142 8,143 2,146 1,152 1,158 2,161 1,172 10,174 2,175 8,178 2,180 2,183 11,186 1,187 5,195 9,198 4,199 7,202 3,207 9,211 1,212 5,220 8,223 4,224 7,229 2,232 5,236 1,237 5,240 1,242 3,245 3,250 6,255 2,258 3,262 2,263 8,268 2,271 3,275 1436,276 20.723,277 20.723,278 20.723,279 20.723,280 20.723,281 18.287,282 19.071,283 12.351,284 21.231,285 16.848,286 16.848,287 16.848,288 16.848,289 16.848,290 13.104,291 23.091,292 5.927,293 17.659,294 4.183,295 2.012,296 1.198,297 0.821,298 0.656,299 0.656,300 4.154,304 1,305 1,306 775,307 2.449,310 60.268,311 350.26,314 118.042,318 1.662,319 23.599,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 347,332 4.706,333 3.586,334 6.882,335 4.233,336 3.273,337 4.674,338 1.528,339 11.492,340 3.152,341 4.261,342 3.339,343 6.246,344 3.887,345 2.947,346 3.709,347 1.005,348 9.37,349 2.777,350 4.108,351 3.13,352 6.192,353 3.721,354 2.753,355 3.615,356 0.864,357 9.154,358 2.655,359 3.674,360 2.943,361 5.562,362 3.4,363 2.456,364 3.029,365 0.86,366 7.409,367 2.311,368 3.522,369 2.711,370 5.306,371 3.14,372 2.149,373 2.729,374 0.367,375 6.421,376 2.121,377 3.387,378 2.313,379 4.924,380 2.905,381 1.922,382 2.59,383 0.052,384 5.432,385 1.879,386 3.191,387 2.142,388 4.711,389 2.69,390 1.742,391 2.446,393 4.955,394 1.655,395 2.922,396 1.846,397 4.344,398 2.611,399 1.686,400 2.099,402 4.215,403 1.543,404 2.886,405 1.536,406 4.168,407 2.425,408 1.453,409 1.888,411 3.608,412 1.41,413 2.739,414 1.476,415 3.654,416 2.259,417 1.276,418 1.836,420 2.871,421 1.252,422 2.5,423 1.331,424 3.493,425 2,426 1.07,427 1.5,428 2.609,429 1,430 2.246,431 1.256,432 3.479,433 1.952,434 1,435 1.164,436 2.148,437 0.946,438 2.211,439 1,440 3.247,441 1.951,442 1,443 1.132,445 2.136,446 0.936,447 2,448 0.947,449 3.247,450 1.797,451 0.833,452 1,454 2.136,455 0.801,456 1.406,457 0.719,458 3.026,459 1.052,460 0.092,461 0.111,463 0.257,464 0.088,465 14.167,466 0.472,467 0.657,468 0.022,469 39.25,470 1.308,471 18.5,472 0.617,473 20.75,474 0.692,475 24.423,476 0.814,477 31.433,478 0.593,479 30.323,480 1.011,481 8.014,482 0.267,483 6.673,484 0.222,485 0.059,487 0.339,493 0.815,494 1.435,495 0.745,496 1.115,497 0.605,498 0.947,499 1.075,500 1.048,501 0.887,502 0.896,503 0.657,504 0.868,505 1.231,506 1.011,507 1.049,508 0.867,509 1.026,510 0.91,511 0.544,512 1.007,513 0.985,514 1.095,515 0.654,516 1.102,517 0.911,518 1.097,519 0.93,520 0.977,521 1.008,522 0.95,523 1.13,524 1.056,525 1.126,526 1.067,527 1.428,528 1.09,529 1.028,530 1.071,531 0.986,532 0.997,533 1.341,534 0.984,535 1.285,536 0.879,537 1.059,538 0.829,539 1.231,540 0.889,541 5,542 0.147,543 2.889,544 2.514,545 1.334,546 1.164,547 0.634,548 0.42,549 0.267,550 0.215,551 12395,552 30607,553 2.186,554 43.4,556 20,559 1,560 2,564 1.73,565 2.093,566 3.506,567 -0.349,568 1,569 1,573 81.886,574 1.545,575 3.716,576 4.53,577 4.907,578 5.072,579 5.072,580 2.911,581 4.507,582 4.88,583 3.633,584 1580.53,585 8.519,586 21579.8,588 1,590 1,591 303.58,592 1.231,593 4.859,594 0.147,595 0.006,596 0.06,597 0.051,598 0.029,599 0.025,600 0.015,601 0.011,602 0.009,603 0.007,604 0.361,605 0.17,606 0.88,607 0.424,608 153.306,609 -0.028,610 -0.271,611 0.075,612 -0.102,613 -0.032,614 -0.016,615 0.01,616 0.066,617 0.032,618 0.064,619 0.046,620 0.048,621 -0.181,622 0.062,623 -0.096,624 0.084,625 -0.121,626 0.022,627 0.187,628 0.042,629 -0.059,630 -0.115,631 0.08,632 -0.128,633 -0.022,634 -0.082,635 0.04,636 -0.011,637 -0.039,638 0.021,639 -0.023,640 -0.028,641 -0.151,642 -0.113,643 -0.086,644 -0.147,645 0.071,646 -0.106,647 0.028,648 -0.036,649 0.028,650 -0.013,651 -0.197,652 0.09,653 -0.033,654 0.119,655 -0.123,656 0.081,657 1.815,658 5.259,659 0.9,660 27.516,661 1.002,662 1.125,663 3.333,664 11.11,665 0.675,666 3.555,667 3.892,668 4.205,669 4.522,670 4.771,671 4.852,672 5.037,673 5.176,674 5.273,675 5.375,676 6.711,677 0.647,678 401.51,679 3.555,680 5.106,681 5.974,682 6.866,683 7.751,684 8.652,685 9.545,686 10.449,687 11.348,688 12.254,689 9.4,692 1,696 1,697 1,698 1,699 1,703 2,704 8,705 1,709 3,710 1,711 16,731 53,733 19,734 2,735 34,737 57,738 23,739 13,740 4,741 8,742 4,746 5,747 6,758 1,761 17,762 6,766 3,771 1,773 1,774 1,775 3,778 1,781 23,782 6,783 1,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,844 1,848 30,854 5,855 1,856 1,859 1,870 3.8,873 1,874 1,877 14.333,878 9.883,879 6.5,880 3.187,881 3.771,882 1.461,883 1.028,884 5.113,885 11.945,886 3.829,887 4.44,888 5.06,889 5.703,890 6.246,891 6.598,892 7.081,893 7.532,894 7.844,895 8.228,896 0.875,897 49,898 11.101,900 4.772,901 7.628,902 21.464,904 17.917,905 2.128,906 63.833,909 1,910 258.964,911 131.961,912 56.605,914 36.145,917 131.961,918 295.109,919 56.605,920 8.396,921 33.941,922 85.286,923 62.291,924 32.652,925 2.144,926 258.964,928 258.964,929 188.566,930 36.145,933 258.964,934 25.145,935 11,937 60.222,938 102.082,939 26.262,941 258.964,942 92.75,943 131.961,946 258.964,947 38.279,948 98.706,949 18.011,950 69.716,951 258.964,952 92.75,953 131.961,955 0.58,956 0.344,957 0.199,958 0.111,959 25,960 10,961 0.07,962 4,963 1,964 1.074,965 4.179,966 281.372,967 0.074,968 27,969 136.452,974 19.042,975 8.056,976 3.797,977 2.005,978 90.851,979 16.466,980 4.923,984 3.086,985 2.073,986 18.011,987 483.675,988 45,993 12.259,995 1.553,996 4.706,997 1.162,999 53.116,1000 59.647,1001 0.27,1002 0.649,1003 0.791,1004 0.857,1005 0.886,1006 0.886,1007 5.075,1008 1.686,1009 5.953,1010 4.955,1011 4.575,1012 5.127,1013 2.316,1014 6.783,1015 4.487,1016 6.282,1017 1.453,1018 7.516,1019 4.215,1020 4.111,1021 4.924,1022 1.048,1023 7.692,1024 3.982,1025 7.596,1026 1.276,1027 9.182,1028 3.608,1029 6.176,1030 7.349,1031 2.547,1032 10.846,1033 6.003,1034 8.947,1035 1.07,1036 10.91,1037 2.871,1038 6.567,1039 8.034,1040 1.926,1041 12.624,1042 6.347,1043 10.335,1044 1,1045 12.68,1046 2.609,1047 8.082,1048 9.92,1049 3.017,1050 15.284,1051 7.824,1052 11.748,1053 1,1054 14.478,1055 2.148,1056 8.879,1057 11.047,1058 2.824,1059 17.425,1060 8.575,1061 13.184,1062 0.833,1063 16.298,1064 2.136,1065 10.169,1066 12.712,1067 3.646,1068 19.919,1069 9.828,1070 3.273,1071 0.092,1072 18.134,1073 2.136,1074 11.16,1075 14.056,1076 3.721,1077 22.217,1078 10.775,1079 2.947,1080 11.492,1081 19.982,1082 0.257,1083 12.36,1084 15.634,1085 4.375,1086 24.658,1087 11.939,1088 2.753,1089 9.37,1090 21.841,1091 4.674,1092 13.442,1093 17.081,1094 4.604,1095 27.026,1096 12.979,1097 2.456,1098 9.154,1099 23.707,1100 3.709,1101 14.611,1102 18.628,1103 5.16,1104 29.454,1105 14.112,1106 2.149,1107 7.409,1108 25.581,1109 3.615,1110 15.735,1111 20.124,1112 5.476,1113 31.856,1114 15.197,1115 1.922,1116 6.421,1117 27.461,1118 3.029,1119 16.896,1120 21.661,1121 5.975,1122 34.283,1123 16.322,1124 1.742,1125 5.432,1126 29.347,1127 2.729,1128 18.041,1129 23.18,1130 6.339,1131 36.701,1132 17.43,1133 11411,1134 18076,1135 23.463,1136 35.79,1137 51.813,1138 52.685,1139 52.255,1140 51.283,1141 51.3,1142 67.044,1143 9.351,1144 148.425,1145 49.05,1146 5.706,1147 5.586,1148 6.684,1149 5.336,1150 5.273,1151 7.674,1152 2.695,1153 19.032,1154 5.152,1155 9.817,1156 1.524,1157 1.55,1158 1.537,1159 1.508,1160 1.509,1161 1.972,1162 0.275,1163 4.365,1164 1.443,1165 4.153,1166 4.191,1167 4.123,1168 4.052,1169 7.43,1170 4.064,1171 3.894,1172 3.942,1173 3.842,1174 3.771,1175 5.03,1176 3.774,1177 3.842,1178 3.88,1179 3.773,1180 3.693,1181 4.755,1182 3.717,1183 3.658,1184 3.708,1185 3.553,1186 3.453,1187 4.715,1188 3.467,1189 3.456,1190 3.509,1191 3.362,1192 3.305,1193 4.574,1194 3.316,1195 3.159,1196 3.233,1197 3.028,1198 2.984,1199 4.301,1200 2.982,1201 3.111,1202 3.206,1203 2.899,1204 2.941,1205 3.934,1206 2.91,1207 2.987,1208 3.044,1209 2.87,1210 2.878,1211 3.891,1212 2.874,1213 0.138,1214 0.105,1215 0.202,1216 0.124,1217 0.096,1218 4.706,1219 0.137,1220 3.586,1221 0.045,1222 6.882,1223 0.338,1224 4.233,1225 0.093,1226 3.273,1227 4.674,1228 1.528,1229 11.492,1230 3.152,1231 2.003,1232 1.982,1233 2.088,1234 2.074,1235 1.225,1236 2.079,1237 1.815,1238 1.769,1239 1.953,1240 2.03,1241 1.209,1242 2.007,1243 1.778,1244 1.741,1245 1.914,1246 1.914,1247 1.045,1248 1.915,1249 1.634,1250 1.577,1251 1.809,1252 1.844,1253 0.947,1254 1.839,1255 1.475,1256 1.422,1257 1.656,1258 1.707,1259 0.825,1260 1.692,1261 1.161,1262 1.088,1263 1.513,1264 1.382,1265 0.705,1266 1.429,1267 1.153,1268 1.064,1269 1.453,1270 1.376,1271 0.579,1272 1.41,1273 0.979,1274 0.932,1275 1.181,1276 1.163,1277 0.291,1278 1.154,1279 4.234,1281 5.565,1282 2.398,1283 7.098,1284 4.844,1285 8.72,1286 7.034,1287 10.39,1289 2.003,1295 3.228,1296 2.875,1297 5.406,1300 2.088,1305 34.278,1306 81.886,1307 196.945,1308 240.07,1309 260.07,1310 268.825,1311 268.825,1312 40.847,1313 8.174,1314 76.04,1315 76.04,1316 29,1317 12.774,1318 4.322,1319 3.585,1320 41.551,1321 121,1322 118,1323 0.167,1324 207.117,1325 358.14,1326 497.126,1327 43733,1329 20.501,1330 0.683,1331 0.561,1332 20.501,1333 16.837,1334 14.687,1335 0.432,1336 0.298,1337 9.957,1338 14.087,1339 9.744,1340 8.01,1341 14.687,1342 10.116,1343 13.248,1344 0.276,1345 0.155,1346 13.248,1347 7.453,1348 11.453,1349 0.174,1350 0.084,1351 11.453,1352 5.527,1353 10.123,1354 0.111,1355 0.043,1356 10.123,1357 3.953,1358 8.387,1359 0.072,1360 0.023,1361 8.387,1362 2.736,1363 0.261,1364 92.119,1365 0.206,1366 28.177,1367 0.462,1368 164,1369 458.384,1370 180.25,1371 441.875,1372 617.45,1373 418,1374 196,1375 464.146,1376 212.78,1377 468.634,1378 691.81,1379 443,1380 6.503}
{0 CHEMBL2064348,1 1.545,2 11.567,3 3.034,4 9.208,5 114.732,6 7.576,7 0.471,8 4.09,9 4.208,10 3.687,11 3.624,12 5.164,13 3.617,14 4.64,15 4.812,16 4.055,17 4.019,18 5.695,19 3.996,20 4.86,21 5.065,22 4.088,23 4.161,24 5.849,25 4.109,26 4.886,27 5.101,28 4.076,29 4.193,30 5.883,31 4.108,32 4.926,33 5.15,34 4.073,35 4.177,36 5.917,37 4.102,38 4.941,39 5.164,40 4.006,41 4.142,42 5.978,43 4.055,44 4.886,45 5.14,46 3.865,47 3.99,48 5.896,49 3.895,50 4.699,51 4.959,52 3.654,53 3.821,54 5.639,55 3.732,56 0.019,57 0.82,58 10.474,59 4.534,60 6.23,61 5.936,62 0.311,63 1.344,64 20.836,65 7.517,66 25.507,67 10.034,68 0.394,69 1.607,70 27.484,71 9.167,72 34.047,73 12.648,74 0.393,75 1.665,76 27.794,77 10.557,78 35.515,79 14.815,80 0.31,81 1.677,82 29.827,83 10.417,84 37.613,85 14.773,86 0.464,87 1.658,88 30.777,89 10.561,90 53.681,91 14.665,92 0.475,93 1.489,94 30.958,95 10.045,96 57.014,97 14.443,98 0.375,99 1.25,100 25.885,101 7.924,102 42.056,103 11.309,104 5,105 48,106 0.254,107 0.61,108 0.744,109 0.806,110 0.833,111 0.833,112 3.441,113 0.893,114 -4.56,115 -4.49,116 -4.22,119 43.4,121 1,124 1,125 4,135 1,139 1,142 8,143 2,146 1,152 1,158 2,161 1,172 10,174 2,175 8,178 2,180 2,183 11,186 1,187 5,195 9,198 4,199 7,202 3,207 9,211 1,212 5,220 8,223 4,224 7,229 2,232 5,236 1,237 5,240 1,242 3,245 3,250 6,255 2,258 3,262 2,263 8,268 2,271 3,275 1424,276 20.723,277 20.723,278 20.723,279 20.723,280 20.723,281 18.287,282 19.071,283 12.364,284 21.231,285 16.854,286 16.854,287 16.854,288 16.854,289 16.854,290 13.106,291 23.091,292 5.937,293 17.665,294 4.183,295 2.012,296 1.198,297 0.821,298 0.656,299 0.656,300 4.154,304 1,305 1,306 775,307 2.449,310 60.268,311 350.01,314 118.042,318 1.662,319 23.48,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 347,332 4.724,333 3.586,334 6.969,335 4.255,336 3.295,337 4.691,338 1.528,339 11.799,340 3.172,341 4.26,342 3.357,343 6.206,344 3.886,345 2.946,346 3.664,347 1.005,348 9.342,349 2.773,350 4.053,351 3.131,352 6.08,353 3.668,354 2.698,355 3.594,356 0.864,357 8.767,358 2.609,359 3.682,360 2.938,361 5.563,362 3.396,363 2.449,364 3.037,365 0.86,366 7.38,367 2.31,368 3.526,369 2.652,370 5.325,371 3.153,372 2.167,373 2.685,374 0.367,375 6.505,376 2.13,377 3.361,378 2.313,379 4.897,380 2.868,381 1.894,382 2.659,383 0.052,384 5.398,385 1.829,386 3.288,387 2.17,388 4.736,389 2.786,390 1.807,391 2.536,393 5.039,394 1.767,395 2.917,396 1.84,397 4.349,398 2.632,399 1.723,400 2.036,402 4.226,403 1.558,404 2.854,405 1.628,406 4.262,407 2.389,408 1.427,409 1.87,411 3.735,412 1.369,413 2.742,414 1.483,415 3.59,416 2.254,417 1.264,418 1.856,420 2.818,421 1.249,422 2.5,423 1.274,424 3.498,425 2,426 1.07,427 1.5,428 2.609,429 1,430 2.252,431 1.256,432 3.485,433 1.952,434 1,435 1.168,436 2.136,437 0.946,438 2.211,439 1,440 3.247,441 1.951,442 1,443 1.136,445 2.136,446 0.936,447 2,448 0.948,449 3.247,450 1.804,451 0.838,452 1,454 2.119,455 0.807,456 1.365,457 0.719,458 3.026,459 0.989,460 0.032,461 0.039,463 0.094,464 0.031,465 14.167,466 0.472,467 0.657,468 0.022,469 39.25,470 1.308,471 18.5,472 0.617,473 20.75,474 0.692,475 24.49,476 0.816,477 31.433,478 0.593,479 30.347,480 1.012,481 8.014,482 0.267,483 6.673,484 0.222,485 0.059,487 0.339,493 0.815,494 1.435,495 0.745,496 1.115,497 0.605,498 0.947,499 1.075,500 1.048,501 0.887,502 0.896,503 0.653,504 0.868,505 1.231,506 1.011,507 1.049,508 0.867,509 1.035,510 0.91,511 0.542,512 0.994,513 0.972,514 1.078,515 0.629,516 1.085,517 0.903,518 1.131,519 0.968,520 1.027,521 0.984,522 1.002,523 1.072,524 1.056,525 1.125,526 1.085,527 1.375,528 1.107,529 0.989,530 1.03,531 0.949,532 0.959,533 1.306,534 0.947,535 1.337,536 0.858,537 1.043,538 0.786,539 1.282,540 0.847,541 5,542 0.147,543 2.667,544 2.542,545 1.449,546 1.164,547 0.574,548 0.416,549 0.247,550 0.215,551 12367,552 30587,553 2.186,554 43.4,556 20,559 1,560 2,564 1.73,565 2.093,566 3.496,567 -0.349,568 1,569 1,573 81.886,574 1.545,575 3.716,576 4.53,577 4.907,578 5.072,579 5.072,580 2.911,581 4.507,582 4.88,583 3.631,584 1579.57,585 8.519,586 21527.3,588 1,590 1,591 303.58,592 1.231,593 4.859,594 0.147,595 0.006,596 0.056,597 0.052,598 0.031,599 0.025,600 0.014,601 0.012,602 0.008,603 0.007,604 0.357,605 0.17,606 0.88,607 0.424,608 153.235,609 -0.028,610 -0.271,611 0.075,612 -0.102,613 -0.032,614 -0.016,615 0.01,616 0.066,617 0.032,618 0.064,619 0.05,620 0.048,621 -0.181,622 0.062,623 -0.096,624 0.084,625 -0.131,626 0.022,627 0.187,628 0.058,629 -0.048,630 -0.097,631 0.088,632 -0.112,633 -0.031,634 -0.108,635 -0.01,636 -0.057,637 -0.044,638 -0.032,639 -0.011,640 -0.045,641 -0.145,642 -0.125,643 -0.083,644 -0.153,645 0.089,646 -0.087,647 0.081,648 0.002,649 0.044,650 0.036,651 -0.207,652 0.113,653 -0.008,654 0.155,655 -0.127,656 0.117,657 1.815,658 5.259,659 0.9,660 27.596,661 1.002,662 1.125,663 3.333,664 11.11,665 0.675,666 3.555,667 3.892,668 4.205,669 4.533,670 4.779,671 4.844,672 5.024,673 5.17,674 5.278,675 5.371,676 6.698,677 0.647,678 401.51,679 3.555,680 5.106,681 5.974,682 6.868,683 7.754,684 8.656,685 9.55,686 10.456,687 11.356,688 12.264,689 9.4,692 1,696 1,697 1,698 1,699 1,703 2,704 8,705 1,709 3,710 1,711 16,731 53,733 19,734 2,735 34,737 57,738 23,739 13,740 4,741 8,742 4,746 5,747 6,758 1,761 17,762 6,766 3,771 1,773 1,774 1,775 3,778 1,781 23,782 6,783 1,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,844 1,848 30,854 5,855 1,856 1,859 1,870 3.8,873 1,874 1,877 14.333,878 9.883,879 6.5,880 3.187,881 3.77,882 1.461,883 1.028,884 5.113,885 11.944,886 3.829,887 4.44,888 5.06,889 5.71,890 6.252,891 6.591,892 7.068,893 7.526,894 7.85,895 8.221,896 0.875,897 49,898 11.099,900 4.77,901 7.628,902 21.464,904 17.917,905 2.128,906 63.833,909 1,910 258.964,911 131.961,912 56.605,914 36.145,917 131.961,918 295.109,919 56.605,920 8.396,921 33.941,922 85.286,923 62.291,924 32.652,925 2.144,926 258.964,928 258.964,929 188.566,930 36.145,933 258.964,934 25.145,935 11,937 60.222,938 102.082,939 26.262,941 258.964,942 92.75,943 131.961,946 258.964,947 38.279,948 98.706,949 18.011,950 69.716,951 258.964,952 92.75,953 131.961,955 0.58,956 0.344,957 0.201,958 0.113,959 25,960 10,961 0.07,962 4,963 1,964 1.074,965 4.172,966 281.836,967 0.074,968 27,969 139.207,974 19.042,975 8.056,976 3.797,977 2.005,978 90.851,979 16.462,980 4.833,984 3.145,985 2.096,986 18.011,987 483.675,988 45,993 12.259,995 1.553,996 4.706,997 1.162,999 53.116,1000 59.647,1001 0.27,1002 0.649,1003 0.791,1004 0.857,1005 0.886,1006 0.886,1007 5.075,1008 1.723,1009 5.953,1010 5.039,1011 4.575,1012 5.127,1013 2.316,1014 6.786,1015 4.487,1016 6.282,1017 1.427,1018 7.516,1019 4.226,1020 4.111,1021 4.924,1022 1.048,1023 7.703,1024 3.982,1025 7.596,1026 1.264,1027 9.182,1028 3.735,1029 6.176,1030 7.349,1031 2.547,1032 10.865,1033 6.003,1034 8.947,1035 1.07,1036 10.912,1037 2.818,1038 6.567,1039 8.034,1040 1.926,1041 12.669,1042 6.347,1043 10.335,1044 1,1045 12.684,1046 2.609,1047 8.084,1048 9.922,1049 3.017,1050 15.343,1051 7.826,1052 11.749,1053 1,1054 14.486,1055 2.136,1056 8.885,1057 11.052,1058 2.824,1059 17.522,1060 8.58,1061 13.186,1062 0.838,1063 16.311,1064 2.136,1065 10.178,1066 12.72,1067 3.646,1068 20.038,1069 9.836,1070 3.295,1071 0.032,1072 18.154,1073 2.119,1074 11.176,1075 14.07,1076 3.721,1077 22.377,1078 10.79,1079 2.946,1080 11.799,1081 20.01,1082 0.094,1083 12.382,1084 15.651,1085 4.375,1086 24.846,1087 11.959,1088 2.698,1089 9.342,1090 21.878,1091 4.691,1092 13.472,1093 17.105,1094 4.604,1095 27.254,1096 13.008,1097 2.449,1098 8.767,1099 23.756,1100 3.664,1101 14.648,1102 18.656,1103 5.16,1104 29.712,1105 14.147,1106 2.167,1107 7.38,1108 25.643,1109 3.594,1110 15.781,1111 20.158,1112 5.476,1113 32.15,1114 15.241,1115 1.894,1116 6.505,1117 27.536,1118 3.037,1119 16.95,1120 21.701,1121 5.975,1122 34.609,1123 16.374,1124 1.807,1125 5.398,1126 29.435,1127 2.685,1128 18.105,1129 23.224,1130 6.339,1131 37.061,1132 17.491,1133 11385,1134 18050,1135 23.463,1136 35.79,1137 51.764,1138 52.655,1139 52.253,1140 51.198,1141 51.219,1142 66.942,1143 9.351,1144 148.206,1145 48.974,1146 5.724,1147 5.586,1148 6.771,1149 5.358,1150 5.295,1151 7.691,1152 2.695,1153 19.223,1154 5.172,1155 9.764,1156 1.522,1157 1.549,1158 1.537,1159 1.506,1160 1.506,1161 1.969,1162 0.275,1163 4.359,1164 1.44,1165 4.155,1166 4.193,1167 4.125,1168 4.054,1169 7.43,1170 4.066,1171 3.894,1172 3.942,1173 3.841,1174 3.766,1175 5.03,1176 3.769,1177 3.835,1178 3.874,1179 3.766,1180 3.693,1181 4.755,1182 3.716,1183 3.658,1184 3.708,1185 3.553,1186 3.453,1187 4.72,1188 3.468,1189 3.462,1190 3.517,1191 3.366,1192 3.307,1193 4.575,1194 3.318,1195 3.159,1196 3.233,1197 3.023,1198 2.978,1199 4.297,1200 2.975,1201 3.111,1202 3.206,1203 2.915,1204 2.941,1205 3.932,1206 2.91,1207 2.995,1208 3.048,1209 2.87,1210 2.893,1211 3.891,1212 2.89,1213 0.139,1214 0.105,1215 0.205,1216 0.125,1217 0.097,1218 4.724,1219 0.138,1220 3.586,1221 0.045,1222 6.969,1223 0.347,1224 4.255,1225 0.093,1226 3.295,1227 4.691,1228 1.528,1229 11.799,1230 3.172,1231 2.007,1232 1.986,1233 2.091,1234 2.082,1235 1.238,1236 2.085,1237 1.809,1238 1.761,1239 1.951,1240 2.027,1241 1.208,1242 2.005,1243 1.769,1244 1.738,1245 1.898,1246 1.882,1247 1.018,1248 1.885,1249 1.641,1250 1.582,1251 1.82,1252 1.857,1253 0.956,1254 1.856,1255 1.48,1256 1.427,1257 1.663,1258 1.725,1259 0.825,1260 1.707,1261 1.161,1262 1.087,1263 1.513,1264 1.382,1265 0.709,1266 1.429,1267 1.153,1268 1.064,1269 1.452,1270 1.376,1271 0.579,1272 1.409,1273 0.987,1274 0.943,1275 1.181,1276 1.163,1277 0.292,1278 1.155,1279 4.234,1281 5.565,1282 2.398,1283 7.098,1284 4.844,1285 8.721,1286 7.034,1287 10.394,1289 2.015,1295 3.228,1296 2.875,1297 5.406,1300 2.088,1305 34.278,1306 81.886,1307 196.945,1308 240.07,1309 260.07,1310 268.825,1311 268.825,1312 40.686,1313 8.174,1314 76.04,1315 76.04,1316 29,1317 12.782,1318 4.322,1319 3.585,1320 41.556,1321 121,1322 118,1323 0.168,1324 207.117,1325 358.14,1326 497.126,1327 43733,1329 20.501,1330 0.683,1331 0.561,1332 20.501,1333 16.837,1334 14.687,1335 0.432,1336 0.298,1337 9.957,1338 14.087,1339 9.744,1340 8.01,1341 14.687,1342 10.116,1343 13.257,1344 0.276,1345 0.155,1346 13.257,1347 7.453,1348 11.392,1349 0.173,1350 0.083,1351 11.392,1352 5.509,1353 10.199,1354 0.111,1355 0.044,1356 10.199,1357 4.008,1358 8.467,1359 0.072,1360 0.024,1361 8.467,1362 2.776,1363 0.262,1364 92.119,1365 0.206,1366 28.165,1367 0.464,1368 164,1369 458.384,1370 180.25,1371 441.875,1372 617.45,1373 418,1374 196,1375 464.146,1376 212.78,1377 468.631,1378 691.82,1379 443,1380 5.34}
{0 CHEMBL2064349,1 1.545,2 12.233,3 3.034,4 9.208,5 114.732,6 7.576,7 0.471,8 4.09,9 4.208,10 3.687,11 3.624,12 5.163,13 3.617,14 4.64,15 4.812,16 4.055,17 4.019,18 5.697,19 3.996,20 4.86,21 5.065,22 4.071,23 4.159,24 5.855,25 4.103,26 4.882,27 5.102,28 4.005,29 4.166,30 5.871,31 4.067,32 4.889,33 5.129,34 3.973,35 4.093,36 5.856,37 4.008,38 4.839,39 5.069,40 3.946,41 4.013,42 5.884,43 3.944,44 4.743,45 4.973,46 3.869,47 3.901,48 5.815,49 3.845,50 4.642,51 4.873,52 3.679,53 3.841,54 5.622,55 3.762,56 0.019,57 0.82,58 10.474,59 4.534,60 6.119,61 5.936,62 0.311,63 1.344,64 20.836,65 7.517,66 25.212,67 10.034,68 0.4,69 1.604,70 27.482,71 9.174,72 34.36,73 12.64,74 0.393,75 1.633,76 27.933,77 10.696,78 37.59,79 15.029,80 0.303,81 1.572,82 29.595,83 10.264,84 39.862,85 14.717,86 0.458,87 1.487,88 28.349,89 9.24,90 51.395,91 12.937,92 0.458,93 1.341,94 25.965,95 8.006,96 49.702,97 11.307,98 0.335,99 1.217,100 23.278,101 7.451,102 37.798,103 10.309,104 5,105 48,106 0.254,107 0.61,108 0.748,109 0.816,110 0.833,111 0.833,112 3.441,113 0.892,114 -4.56,115 -4.49,116 -4.22,119 43.4,121 1,124 1,125 4,135 1,139 1,142 8,143 2,146 1,152 1,158 2,161 1,172 10,174 2,175 8,178 2,180 2,183 12,186 1,187 4,195 11,198 4,199 5,202 3,207 10,211 1,212 4,220 6,223 4,224 8,229 2,232 2,236 1,237 6,240 1,242 2,245 2,250 6,255 1,258 4,262 2,263 6,268 2,271 3,275 1472,276 20.67,277 20.67,278 20.67,279 20.67,280 20.67,281 18.255,282 19.071,283 12.283,284 21.182,285 16.848,286 16.848,287 16.848,288 16.848,289 16.848,290 13.113,291 23.091,292 5.916,293 17.663,294 4.183,295 2.012,296 1.175,297 0.76,298 0.656,299 0.656,300 4.154,304 1,305 1,306 820,307 2.449,310 63.741,311 366.351,314 120.002,318 1.916,319 23.48,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 367,332 4.638,333 3.585,334 6.7,335 4.151,336 3.2,337 4.594,338 1.528,339 10.821,340 3.053,341 4.258,342 3.295,343 6.202,344 3.883,345 2.941,346 3.758,347 1.005,348 9.328,349 2.788,350 4.155,351 3.123,352 6.139,353 3.779,354 2.796,355 3.625,356 0.864,357 9.041,358 2.725,359 3.686,360 2.908,361 5.61,362 3.412,363 2.469,364 3.032,365 0.86,366 7.516,367 2.32,368 3.524,369 2.762,370 5.327,371 3.154,372 2.167,373 2.722,374 0.367,375 6.547,376 2.131,377 3.382,378 2.321,379 4.88,380 2.898,381 1.915,382 2.578,383 0.052,384 5.425,385 1.875,386 3.157,387 2.166,388 4.69,389 2.688,390 1.736,391 2.441,393 4.905,394 1.66,395 3.134,396 1.818,397 4.416,398 2.637,399 1.692,400 2.374,402 4.342,403 1.586,404 2.89,405 1.71,406 4.344,407 2.584,408 1.646,409 1.879,411 4.213,412 1.529,413 2.636,414 1.527,415 3.586,416 2.149,417 1.156,418 1.699,420 2.712,421 1.147,422 2.5,423 1.256,424 3.494,425 2,426 1.069,427 1.5,428 2.608,429 1,430 2.219,431 1.189,432 3.485,433 1.952,434 1,435 1.158,436 2.136,437 0.946,438 2.196,439 1,440 3.247,441 1.951,442 1,443 1.082,445 2.136,446 0.936,447 2,448 0.941,449 3.247,450 1.765,451 0.802,452 1,454 2.053,455 0.771,456 1.365,457 0.719,458 3.009,459 0.989,460 0.031,461 0.038,463 0.091,464 0.03,465 14.167,466 0.472,467 0.674,468 0.022,469 39.25,470 1.308,471 18.5,472 0.617,473 20.75,474 0.692,475 24.139,476 0.805,477 31.433,478 0.593,479 29.966,480 0.999,481 7.999,482 0.267,483 6.671,484 0.222,485 0.059,487 0.339,493 0.815,494 1.435,495 0.745,496 1.115,497 0.607,498 0.947,499 1.075,500 1.048,501 0.887,502 0.896,503 0.647,504 0.868,505 1.244,506 1,507 1.082,508 0.881,509 1.039,510 0.934,511 0.525,512 0.995,513 1.025,514 1.133,515 0.658,516 1.149,517 0.848,518 1.108,519 0.914,520 1.011,521 1.011,522 0.974,523 1.135,524 1.007,525 1.013,526 0.959,527 1.45,528 0.965,529 1.224,530 1.042,531 0.996,532 0.903,533 1.507,534 0.903,535 1.42,536 0.935,537 1.167,538 0.898,539 1.339,540 0.97,541 5.5,542 0.106,543 2.889,544 2.389,545 1.209,546 1.112,547 0.629,548 0.513,549 0.296,550 0.175,551 12983,552 31967,553 2.186,554 43.4,556 20,559 1,560 2,564 1.727,565 2.093,566 3.58,567 -0.349,568 1,569 1,573 81.886,574 1.545,575 3.716,576 4.553,577 4.968,578 5.072,579 5.072,580 3.082,581 4.415,582 4.878,583 3.725,584 1620.47,585 8.504,586 22458.2,588 1,590 1,591 303.58,592 1.231,593 4.859,594 0.162,595 0.005,596 0.06,597 0.05,598 0.028,599 0.026,600 0.016,601 0.014,602 0.01,603 0.006,604 0.376,605 0.17,606 0.88,607 0.424,608 154.524,609 -0.028,610 -0.271,611 0.075,612 -0.102,613 -0.034,614 -0.016,615 0.01,616 0.066,617 0.032,618 0.064,619 0.056,620 0.048,621 -0.194,622 0.073,623 -0.13,624 0.07,625 -0.132,626 -0.003,627 0.188,628 0.039,629 -0.096,630 -0.147,631 0.067,632 -0.167,633 0.016,634 -0.124,635 0.065,636 -0.035,637 -0.034,638 0.014,639 0.02,640 -0.001,641 -0.01,642 -0.014,643 -0.037,644 -0.018,645 0.021,646 -0.032,647 0.022,648 0.029,649 0.014,650 0.032,651 -0.27,652 0.079,653 -0.17,654 0.048,655 -0.168,656 -0.025,657 1.813,658 5.222,659 0.9,660 30.542,661 1.002,662 1.125,663 3.333,664 11.11,665 0.675,666 3.555,667 3.892,668 4.19,669 4.489,670 4.727,671 4.812,672 5.017,673 5.165,674 5.268,675 5.366,676 7.059,677 0.647,678 401.51,679 3.555,680 5.106,681 5.969,682 6.855,683 7.733,684 8.626,685 9.511,686 10.408,687 11.298,688 12.196,689 9.4,692 1,696 1,697 1,698 1,699 1,703 2,704 8,705 1,709 3,710 1,711 16,731 53,733 19,734 2,735 34,737 57,738 23,739 13,740 4,741 8,742 4,746 5,747 6,758 1,761 17,762 6,766 3,771 1,773 1,774 1,775 3,778 1,781 23,782 6,783 1,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,844 1,848 30,854 5,855 1,856 1,859 1,870 3.8,873 1,874 1,877 14.333,878 9.883,879 6.472,880 3.181,881 3.651,882 1.447,883 1.028,884 5.113,885 11.825,886 3.829,887 4.44,888 5.046,889 5.668,890 6.202,891 6.562,892 7.074,893 7.541,894 7.872,895 8.265,896 1,897 48,898 11.098,900 4.769,901 7.628,902 21.464,904 17.912,905 2.128,906 63.833,909 1,910 258.964,911 131.961,912 56.605,914 36.145,917 131.961,918 295.109,919 56.605,920 8.396,921 33.941,922 85.286,923 62.291,924 32.652,925 2.144,926 258.964,928 258.964,929 188.566,930 36.145,933 258.964,934 25.145,935 11,937 60.222,938 102.082,939 26.262,941 258.964,942 92.75,943 131.961,946 258.964,947 38.279,948 98.706,949 18.011,950 69.716,951 258.964,952 92.75,953 131.961,955 0.582,956 0.341,957 0.192,958 0.106,959 25,960 10,961 0.07,962 4,963 1,964 1.074,965 4.24,966 277.08,967 0.074,968 27,969 139.207,974 19.042,975 8.056,976 3.92,977 1.983,978 90.851,979 16.582,980 4.833,984 3.155,985 2.061,986 18.011,987 483.675,988 45,993 12.222,995 1.551,996 4.69,997 1.166,999 53.116,1000 59.647,1001 0.27,1002 0.649,1003 0.795,1004 0.867,1005 0.886,1006 0.886,1007 5.075,1008 1.692,1009 5.948,1010 4.905,1011 4.575,1012 5.127,1013 2.316,1014 6.763,1015 4.487,1016 6.282,1017 1.646,1018 7.503,1019 4.342,1020 4.111,1021 4.924,1022 1.048,1023 7.624,1024 3.982,1025 7.594,1026 1.156,1027 9.157,1028 4.213,1029 6.168,1030 7.34,1031 2.547,1032 10.752,1033 5.994,1034 8.941,1035 1.069,1036 10.87,1037 2.712,1038 6.538,1039 8.001,1040 1.926,1041 12.458,1042 6.315,1043 10.322,1044 1,1045 12.622,1046 2.608,1047 8.05,1048 9.885,1049 3.017,1050 15.081,1051 7.787,1052 11.728,1053 1,1054 14.4,1055 2.136,1056 8.819,1057 10.977,1058 2.824,1059 17.146,1060 8.503,1061 13.153,1062 0.802,1063 16.198,1064 2.136,1065 10.102,1066 12.636,1067 3.646,1068 19.589,1069 9.746,1070 3.2,1071 0.031,1072 18.011,1073 2.053,1074 11.063,1075 13.946,1076 3.721,1077 21.812,1078 10.655,1079 2.941,1080 10.821,1081 19.834,1082 0.091,1083 12.251,1084 15.512,1085 4.375,1086 24.192,1087 11.8,1088 2.796,1089 9.328,1090 21.667,1091 4.594,1092 13.304,1093 16.93,1094 4.604,1095 26.487,1096 12.801,1097 2.469,1098 9.041,1099 23.508,1100 3.758,1101 14.454,1102 18.46,1103 5.16,1104 28.849,1105 13.908,1106 2.167,1107 7.516,1108 25.355,1109 3.625,1110 15.551,1111 19.93,1112 5.476,1113 31.179,1114 14.953,1115 1.915,1116 6.547,1117 27.207,1118 3.032,1119 16.689,1120 21.449,1121 5.975,1122 33.537,1123 16.047,1124 1.736,1125 5.425,1126 29.064,1127 2.722,1128 17.808,1129 22.944,1130 6.339,1131 35.886,1132 17.115,1133 11914,1134 18843,1135 23.463,1136 35.79,1137 51.778,1138 52.68,1139 52.046,1140 51.219,1141 51.239,1142 66.962,1143 9.351,1144 147.746,1145 48.992,1146 5.638,1147 5.585,1148 6.502,1149 5.254,1150 5.2,1151 7.594,1152 2.695,1153 17.933,1154 5.053,1155 9.889,1156 1.523,1157 1.549,1158 1.531,1159 1.506,1160 1.507,1161 1.969,1162 0.275,1163 4.345,1164 1.441,1165 4.146,1166 4.186,1167 4.114,1168 4.043,1169 7.43,1170 4.054,1171 3.897,1172 3.943,1173 3.843,1174 3.791,1175 5.03,1176 3.794,1177 3.86,1178 3.899,1179 3.795,1180 3.693,1181 4.758,1182 3.719,1183 3.657,1184 3.707,1185 3.552,1186 3.45,1187 4.731,1188 3.464,1189 3.44,1190 3.49,1191 3.351,1192 3.299,1193 4.574,1194 3.309,1195 3.159,1196 3.233,1197 3.029,1198 2.985,1199 4.254,1200 2.983,1201 3.111,1202 3.206,1203 2.875,1204 2.941,1205 3.942,1206 2.91,1207 2.965,1208 3.035,1209 2.866,1210 2.805,1211 3.892,1212 2.804,1213 0.136,1214 0.105,1215 0.197,1216 0.122,1217 0.094,1218 4.638,1219 0.135,1220 3.585,1221 0.045,1222 6.7,1223 0.318,1224 4.151,1225 0.09,1226 3.2,1227 4.594,1228 1.528,1229 10.821,1230 3.053,1231 2.001,1232 1.98,1233 2.09,1234 2.073,1235 1.22,1236 2.079,1237 1.814,1238 1.767,1239 1.952,1240 2.029,1241 1.208,1242 2.007,1243 1.781,1244 1.745,1245 1.91,1246 1.911,1247 1.044,1248 1.912,1249 1.637,1250 1.579,1251 1.811,1252 1.849,1253 0.953,1254 1.843,1255 1.476,1256 1.424,1257 1.655,1258 1.711,1259 0.825,1260 1.695,1261 1.161,1262 1.093,1263 1.513,1264 1.377,1265 0.704,1266 1.429,1267 1.153,1268 1.064,1269 1.451,1270 1.376,1271 0.579,1272 1.406,1273 0.946,1274 0.896,1275 1.181,1276 1.163,1277 0.265,1278 1.149,1279 4.234,1281 5.565,1282 2.398,1283 7.093,1284 4.844,1285 8.706,1286 7.018,1287 10.362,1289 1.997,1295 3.241,1296 2.866,1297 5.4,1300 2.087,1305 34.278,1306 81.886,1307 196.945,1308 241.315,1309 263.315,1310 268.825,1311 268.825,1312 40.429,1313 8.174,1314 76.04,1315 76.04,1316 29,1317 12.721,1318 4.322,1319 3.585,1320 41.667,1321 127,1322 125,1323 0.159,1324 207.117,1325 358.14,1326 497.126,1327 43755,1329 20.501,1330 0.683,1331 0.561,1332 20.501,1333 16.837,1334 14.67,1335 0.431,1336 0.297,1337 9.951,1338 14.068,1339 9.735,1340 8.002,1341 14.67,1342 10.11,1343 13.322,1344 0.278,1345 0.156,1346 13.322,1347 7.483,1348 11.452,1349 0.176,1350 0.085,1351 11.452,1352 5.518,1353 9.998,1354 0.114,1355 0.044,1356 9.998,1357 3.9,1358 8.163,1359 0.073,1360 0.024,1361 8.163,1362 2.654,1363 0.251,1364 92.018,1365 0.206,1366 28.429,1367 0.431,1368 164,1369 458.384,1370 180.25,1371 442.053,1372 616.87,1373 418,1374 195,1375 463.146,1376 211.614,1377 467.884,1378 688.62,1379 442,1380 5}
{0 CHEMBL2064350,1 1.545,2 12.233,3 3.034,4 9.208,5 114.732,6 7.576,7 0.471,8 4.09,9 4.208,10 3.687,11 3.624,12 5.163,13 3.617,14 4.64,15 4.812,16 4.055,17 4.019,18 5.697,19 3.996,20 4.86,21 5.065,22 4.071,23 4.159,24 5.856,25 4.103,26 4.882,27 5.102,28 4.005,29 4.166,30 5.866,31 4.067,32 4.889,33 5.127,34 3.99,35 4.103,36 5.849,37 4.021,38 4.855,39 5.078,40 3.972,41 4.05,42 5.905,43 3.979,44 4.805,45 5.043,46 3.878,47 3.947,48 5.862,49 3.877,50 4.683,51 4.93,52 3.655,53 3.838,54 5.64,55 3.748,56 0.019,57 0.82,58 10.474,59 4.534,60 6.119,61 5.936,62 0.311,63 1.344,64 20.836,65 7.517,66 25.212,67 10.034,68 0.4,69 1.604,70 27.482,71 9.174,72 34.694,73 12.64,74 0.393,75 1.633,76 27.933,77 10.696,78 37.746,79 15.029,80 0.303,81 1.578,82 29.53,83 10.274,84 37.79,85 14.707,86 0.448,87 1.524,88 28.396,89 9.467,90 50.07,91 13.163,92 0.47,93 1.413,94 27.871,95 8.744,96 53.079,97 12.425,98 0.357,99 1.242,100 24.934,101 7.866,102 41.112,103 11.066,104 5,105 48,106 0.254,107 0.61,108 0.748,109 0.816,110 0.833,111 0.833,112 3.441,113 0.892,114 -4.56,115 -4.49,116 -4.22,119 43.4,121 1,124 1,125 4,135 1,139 1,142 8,143 2,146 1,152 1,158 2,161 1,172 10,174 2,175 8,178 2,180 2,183 12,186 1,187 4,195 11,198 4,199 5,202 3,207 10,211 1,212 4,220 6,223 4,224 8,229 2,232 2,236 1,237 6,240 1,242 2,245 2,250 6,255 1,258 4,262 2,263 6,268 2,271 3,275 1460,276 20.67,277 20.67,278 20.67,279 20.67,280 20.67,281 18.255,282 19.071,283 12.286,284 21.182,285 16.848,286 16.848,287 16.848,288 16.848,289 16.848,290 13.113,291 23.091,292 5.921,293 17.663,294 4.183,295 2.012,296 1.175,297 0.76,298 0.656,299 0.656,300 4.154,304 1,305 1,306 820,307 2.449,310 63.741,311 366.146,314 120.002,318 1.916,319 23.418,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 367,332 4.641,333 3.585,334 6.707,335 4.155,336 3.204,337 4.597,338 1.528,339 10.851,340 3.058,341 4.258,342 3.297,343 6.202,344 3.883,345 2.942,346 3.745,347 1.005,348 9.329,349 2.784,350 4.145,351 3.124,352 6.123,353 3.768,354 2.785,355 3.625,356 0.864,357 8.988,358 2.718,359 3.688,360 2.908,361 5.612,362 3.412,363 2.469,364 3.035,365 0.86,366 7.517,367 2.321,368 3.525,369 2.75,370 5.33,371 3.158,372 2.173,373 2.705,374 0.367,375 6.554,376 2.134,377 3.372,378 2.322,379 4.873,380 2.884,381 1.903,382 2.606,383 0.052,384 5.398,385 1.858,386 3.255,387 2.174,388 4.695,389 2.762,390 1.785,391 2.55,393 4.959,394 1.738,395 3.055,396 1.801,397 4.438,398 2.641,399 1.728,400 2.261,402 4.37,403 1.573,404 2.887,405 1.759,406 4.343,407 2.528,408 1.58,409 1.877,411 4.201,412 1.488,413 2.635,414 1.517,415 3.542,416 2.141,417 1.146,418 1.699,420 2.694,421 1.14,422 2.5,423 1.256,424 3.51,425 2,426 1.07,427 1.5,428 2.609,429 1,430 2.215,431 1.153,432 3.488,433 1.952,434 1,435 1.157,436 2.136,437 0.946,438 2.183,439 1,440 3.247,441 1.951,442 1,443 1.06,445 2.136,446 0.935,447 2,448 0.925,449 3.247,450 1.743,451 0.782,452 1,454 1.986,455 0.75,456 1.406,457 0.719,458 3.023,459 1.051,460 0.091,461 0.11,463 0.254,464 0.087,465 14.167,466 0.472,467 0.674,468 0.022,469 39.25,470 1.308,471 18.5,472 0.617,473 20.75,474 0.692,475 24.186,476 0.806,477 31.433,478 0.593,479 29.986,480 1,481 7.999,482 0.267,483 6.671,484 0.222,485 0.059,487 0.339,493 0.815,494 1.435,495 0.745,496 1.115,497 0.607,498 0.947,499 1.075,500 1.048,501 0.887,502 0.896,503 0.647,504 0.868,505 1.244,506 1,507 1.082,508 0.881,509 1.036,510 0.934,511 0.525,512 0.995,513 1.025,514 1.133,515 0.667,516 1.149,517 0.847,518 1.096,519 0.901,520 0.994,521 0.986,522 0.957,523 1.124,524 1.045,525 1.053,526 1.014,527 1.418,528 1.021,529 1.151,530 1.042,531 1.003,532 0.935,533 1.441,534 0.936,535 1.353,536 0.891,537 1.112,538 0.855,539 1.297,540 0.924,541 5.5,542 0.106,543 2.889,544 2.264,545 1.209,546 1.198,547 0.629,548 0.473,549 0.289,550 0.16,551 12955,552 31947,553 2.186,554 43.4,556 20,559 1,560 2,564 1.727,565 2.093,566 3.574,567 -0.349,568 1,569 1,573 81.886,574 1.545,575 3.716,576 4.553,577 4.968,578 5.072,579 5.072,580 3.082,581 4.574,582 4.878,583 3.723,584 1619.43,585 8.504,586 22406.8,588 1,590 1,591 303.58,592 1.231,593 4.859,594 0.162,595 0.005,596 0.06,597 0.047,598 0.028,599 0.028,600 0.015,601 0.013,602 0.01,603 0.006,604 0.373,605 0.17,606 0.88,607 0.424,608 154.458,609 -0.028,610 -0.271,611 0.075,612 -0.102,613 -0.034,614 -0.016,615 0.01,616 0.066,617 0.032,618 0.064,619 0.056,620 0.048,621 -0.194,622 0.073,623 -0.13,624 0.07,625 -0.129,626 -0.003,627 0.188,628 0.039,629 -0.096,630 -0.147,631 0.058,632 -0.167,633 0.016,634 -0.108,635 0.076,636 -0.017,637 -0.026,638 0.03,639 0.009,640 -0.03,641 -0.063,642 -0.064,643 -0.042,644 -0.075,645 0.032,646 -0.051,647 0.016,648 0.006,649 0.011,650 0.013,651 -0.232,652 0.094,653 -0.095,654 0.091,655 -0.139,656 0.036,657 1.813,658 5.222,659 0.9,660 30.489,661 1.002,662 1.125,663 3.333,664 11.11,665 0.675,666 3.555,667 3.892,668 4.19,669 4.489,670 4.736,671 4.812,672 5.004,673 5.165,674 5.273,675 5.366,676 7.046,677 0.647,678 401.51,679 3.555,680 5.106,681 5.969,682 6.855,683 7.734,684 8.627,685 9.513,686 10.409,687 11.3,688 12.199,689 9.4,692 1,696 1,697 1,698 1,699 1,703 2,704 8,705 1,709 3,710 1,711 16,731 53,733 19,734 2,735 34,737 57,738 23,739 13,740 4,741 8,742 4,746 5,747 6,758 1,761 17,762 6,766 3,771 1,773 1,774 1,775 3,778 1,781 23,782 6,783 1,784 7,787 1,790 5,791 1,794 0.8,795 2,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,844 1,848 30,854 5,855 1,856 1,859 1,870 3.8,873 1,874 1,877 14.333,878 9.883,879 6.472,880 3.181,881 3.65,882 1.447,883 1.028,884 5.113,885 11.824,886 3.829,887 4.44,888 5.046,889 5.668,890 6.209,891 6.562,892 7.061,893 7.541,894 7.879,895 8.265,896 1,897 48,898 11.098,900 4.768,901 7.628,902 21.464,904 17.912,905 2.128,906 63.833,909 1,910 258.964,911 131.961,912 56.605,914 36.145,917 131.961,918 295.109,919 56.605,920 8.396,921 33.941,922 85.286,923 62.291,924 32.652,925 2.144,926 258.964,928 258.964,929 188.566,930 36.145,933 258.964,934 25.145,935 11,937 60.222,938 102.082,939 26.262,941 258.964,942 92.75,943 131.961,946 258.964,947 38.279,948 98.706,949 18.011,950 69.716,951 258.964,952 92.75,953 131.961,955 0.582,956 0.341,957 0.192,958 0.107,959 25,960 10,961 0.07,962 4,963 1,964 1.074,965 4.235,966 277.398,967 0.074,968 27,969 139.207,974 19.042,975 8.056,976 3.92,977 1.983,978 90.851,979 16.587,980 4.781,984 3.183,985 2.073,986 18.011,987 483.675,988 45,993 12.222,995 1.551,996 4.69,997 1.166,999 53.116,1000 59.647,1001 0.27,1002 0.649,1003 0.795,1004 0.867,1005 0.886,1006 0.886,1007 5.075,1008 1.728,1009 5.948,1010 4.959,1011 4.575,1012 5.127,1013 2.316,1014 6.763,1015 4.487,1016 6.282,1017 1.58,1018 7.503,1019 4.37,1020 4.111,1021 4.924,1022 1.048,1023 7.624,1024 3.982,1025 7.594,1026 1.146,1027 9.157,1028 4.201,1029 6.168,1030 7.34,1031 2.547,1032 10.753,1033 5.994,1034 8.941,1035 1.07,1036 10.87,1037 2.694,1038 6.538,1039 8.001,1040 1.926,1041 12.46,1042 6.315,1043 10.322,1044 1,1045 12.622,1046 2.609,1047 8.05,1048 9.885,1049 3.017,1050 15.084,1051 7.787,1052 11.728,1053 1,1054 14.401,1055 2.136,1056 8.819,1057 10.977,1058 2.824,1059 17.151,1060 8.503,1061 13.153,1062 0.782,1063 16.198,1064 2.136,1065 10.102,1066 12.636,1067 3.646,1068 19.596,1069 9.747,1070 3.204,1071 0.091,1072 18.011,1073 1.986,1074 11.064,1075 13.947,1076 3.721,1077 21.823,1078 10.655,1079 2.942,1080 10.851,1081 19.835,1082 0.254,1083 12.252,1084 15.514,1085 4.375,1086 24.205,1087 11.802,1088 2.785,1089 9.329,1090 21.669,1091 4.597,1092 13.306,1093 16.932,1094 4.604,1095 26.504,1096 12.804,1097 2.469,1098 8.988,1099 23.51,1100 3.745,1101 14.457,1102 18.463,1103 5.16,1104 28.869,1105 13.912,1106 2.173,1107 7.517,1108 25.357,1109 3.625,1110 15.555,1111 19.934,1112 5.476,1113 31.203,1114 14.959,1115 1.903,1116 6.554,1117 27.21,1118 3.035,1119 16.695,1120 21.454,1121 5.975,1122 33.565,1123 16.053,1124 1.785,1125 5.398,1126 29.068,1127 2.705,1128 17.815,1129 22.95,1130 6.339,1131 35.917,1132 17.124,1133 11888,1134 18817,1135 23.463,1136 35.79,1137 51.825,1138 52.701,1139 52.055,1140 51.295,1141 51.31,1142 67.053,1143 9.351,1144 147.962,1145 49.06,1146 5.641,1147 5.585,1148 6.509,1149 5.259,1150 5.204,1151 7.597,1152 2.695,1153 17.918,1154 5.058,1155 9.845,1156 1.524,1157 1.55,1158 1.531,1159 1.509,1160 1.509,1161 1.972,1162 0.275,1163 4.352,1164 1.443,1165 4.147,1166 4.186,1167 4.115,1168 4.044,1169 7.43,1170 4.055,1171 3.897,1172 3.943,1173 3.843,1174 3.79,1175 5.03,1176 3.792,1177 3.858,1178 3.896,1179 3.793,1180 3.693,1181 4.758,1182 3.719,1183 3.656,1184 3.707,1185 3.552,1186 3.45,1187 4.733,1188 3.465,1189 3.444,1190 3.495,1191 3.353,1192 3.3,1193 4.574,1194 3.31,1195 3.159,1196 3.233,1197 3.024,1198 2.976,1199 4.252,1200 2.974,1201 3.111,1202 3.206,1203 2.9,1204 2.941,1205 3.94,1206 2.91,1207 2.998,1208 3.053,1209 2.871,1210 2.881,1211 3.89,1212 2.877,1213 0.137,1214 0.105,1215 0.197,1216 0.122,1217 0.094,1218 4.641,1219 0.135,1220 3.585,1221 0.045,1222 6.707,1223 0.319,1224 4.155,1225 0.09,1226 3.204,1227 4.597,1228 1.528,1229 10.851,1230 3.058,1231 2.003,1232 1.981,1233 2.091,1234 2.076,1235 1.224,1236 2.081,1237 1.811,1238 1.763,1239 1.951,1240 2.028,1241 1.208,1242 2.006,1243 1.778,1244 1.745,1245 1.904,1246 1.9,1247 1.034,1248 1.902,1249 1.64,1250 1.581,1251 1.816,1252 1.854,1253 0.957,1254 1.849,1255 1.48,1256 1.427,1257 1.659,1258 1.72,1259 0.825,1260 1.702,1261 1.161,1262 1.092,1263 1.513,1264 1.376,1265 0.706,1266 1.429,1267 1.153,1268 1.064,1269 1.45,1270 1.376,1271 0.579,1272 1.405,1273 0.991,1274 0.948,1275 1.181,1276 1.164,1277 0.276,1278 1.155,1279 4.234,1281 5.565,1282 2.398,1283 7.093,1284 4.844,1285 8.706,1286 7.018,1287 10.363,1289 2.003,1295 3.241,1296 2.866,1297 5.4,1300 2.087,1305 34.278,1306 81.886,1307 196.945,1308 241.315,1309 263.315,1310 268.825,1311 268.825,1312 40.366,1313 8.174,1314 76.04,1315 76.04,1316 29,1317 12.723,1318 4.322,1319 3.585,1320 41.669,1321 127,1322 124,1323 0.159,1324 207.117,1325 358.14,1326 497.126,1327 43755,1329 20.501,1330 0.683,1331 0.561,1332 20.501,1333 16.837,1334 14.67,1335 0.431,1336 0.297,1337 9.951,1338 14.068,1339 9.735,1340 8.002,1341 14.67,1342 10.11,1343 13.322,1344 0.278,1345 0.156,1346 13.322,1347 7.483,1348 11.459,1349 0.176,1350 0.085,1351 11.459,1352 5.518,1353 9.95,1354 0.113,1355 0.044,1356 9.95,1357 3.89,1358 8.248,1359 0.073,1360 0.024,1361 8.248,1362 2.691,1363 0.251,1364 92.018,1365 0.206,1366 28.417,1367 0.432,1368 164,1369 458.384,1370 180.25,1371 442.053,1372 616.87,1373 418,1374 195,1375 463.146,1376 211.614,1377 467.884,1378 688.62,1379 442,1380 5.108}
{0 CHEMBL2064351,1 1.815,2 9.5,3 1.526,4 2.328,5 82.67,6 8.471,7 0.37,8 3.824,9 3.925,10 3.497,11 3.288,12 4.995,13 3.33,14 4.379,15 4.529,16 3.879,17 3.656,18 5.591,19 3.691,20 4.587,21 4.783,22 3.857,23 3.722,24 5.781,25 3.734,26 4.506,27 4.71,28 3.783,29 3.663,30 5.749,31 3.635,32 4.417,33 4.627,34 3.616,35 3.549,36 5.525,37 3.531,38 4.385,39 4.571,40 3.619,41 3.497,42 5.652,43 3.488,44 4.339,45 4.561,46 3.552,47 3.363,48 5.612,49 3.363,50 4.174,51 4.393,52 3.337,53 3.232,54 5.311,55 3.239,56 0.156,57 0.673,58 6.297,59 3.285,60 11.738,61 3.698,62 0.498,63 1.054,64 14.039,65 5.388,66 29.269,67 6.314,68 0.795,69 1.228,70 20.6,71 6.049,72 62.428,73 7.325,74 0.732,75 1.121,76 18.587,77 6.627,78 58.171,79 8.574,80 0.561,81 0.952,82 17.54,83 5.588,84 52.299,85 7.251,86 0.671,87 0.919,88 16.582,89 5.594,90 70.028,91 6.811,92 0.71,93 0.851,94 17.619,95 4.809,96 68.846,97 6.617,98 0.542,99 0.739,100 15.263,101 4.362,102 43.456,103 5.249,104 5,105 38,106 0.322,107 0.709,108 0.815,109 0.837,110 0.837,111 0.837,112 3.229,113 0.851,114 -3.58,115 -3.56,116 -3.39,119 41,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 2,174 2,175 7,178 2,180 2,183 1,186 1,187 3,198 4,199 4,202 3,207 2,211 1,212 1,220 2,223 4,224 3,229 1,236 1,237 3,240 1,242 2,250 2,258 1,262 2,263 4,271 2,275 782,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.667,282 19.368,283 9.741,284 16.856,285 13.393,286 13.393,287 13.393,288 13.393,289 13.393,290 10.658,291 22.839,292 4.702,293 14.15,294 3.471,295 1.281,296 0.686,297 0.564,298 0.564,299 0.564,300 3.929,303 1,304 1,305 1,306 505,307 2.236,310 47.545,311 210.945,314 94.357,318 1.5,319 34.445,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 228,332 4.553,333 3.582,334 6.511,335 4.062,336 3.094,337 4.51,338 1.528,339 10.221,340 2.991,341 4.256,342 3.267,343 6.202,344 3.877,345 2.939,346 3.633,347 1.005,348 9.327,349 2.761,350 3.735,351 3.133,352 5.56,353 3.449,354 2.507,355 3.074,356 0.864,357 7.547,358 2.355,359 3.542,360 2.949,361 5.211,362 3.217,363 2.242,364 2.721,365 0.86,366 6.44,367 2.177,368 3.387,369 2.518,370 4.935,371 2.914,372 1.94,373 2.591,374 0.367,375 5.551,376 1.867,377 3.197,378 2.292,379 4.661,380 2.701,381 1.747,382 2.447,383 0.052,384 4.947,385 1.661,386 2.903,387 2.005,388 4.342,389 2.611,390 1.69,391 2.01,393 4.212,394 1.543,395 2.838,396 1.536,397 4.049,398 2.358,399 1.374,400 1.868,402 3.421,403 1.35,404 2.213,405 1.417,406 3.491,407 1.952,408 1.068,409 1.154,411 2.607,412 0.946,413 2.066,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 2,423 0.904,424 3.247,425 1.552,426 0.623,427 0.88,428 1.588,429 0.571,430 1.323,431 0.721,432 2.961,433 0.927,434 -0.044,435 -0.051,436 -0.126,437 -0.042,438 1.129,439 0.335,440 2.56,441 0.634,442 -0.341,443 -0.439,445 -0.818,446 -0.308,447 0.929,448 0.032,449 2.37,450 0.567,451 -0.393,452 -0.502,454 -1.007,455 -0.379,456 0.617,457 -0.207,458 2.272,459 0.382,460 -0.577,461 -0.708,463 -1.39,464 -0.56,465 10.886,466 0.454,467 0.571,468 0.024,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 17.996,476 0.75,477 26.314,478 0.675,479 21.621,480 0.901,481 6.225,482 0.259,483 5.461,484 0.228,485 0.057,487 0.358,491 1,493 0.75,494 1.308,495 0.637,496 1.197,497 0.544,498 0.946,499 0.9,500 1.074,501 0.81,502 1.026,503 0.589,504 0.921,505 1.206,506 0.935,507 1.083,508 0.817,509 0.982,510 0.872,511 0.616,512 0.954,513 0.892,514 1.063,515 0.731,516 1.075,517 0.936,518 0.948,519 0.987,520 0.992,521 0.942,522 0.992,523 1.009,524 1.017,525 1.07,526 1.101,527 1.269,528 1.112,529 0.864,530 0.761,531 0.865,532 0.834,533 1.017,534 0.842,535 1.362,536 0.852,537 1.024,538 0.711,539 1.039,540 0.733,541 5,542 0.052,543 2,544 1.882,545 1.103,546 0.719,547 0.38,548 0.251,549 0.214,550 0.163,551 6740,552 21295,553 2.161,554 38.5,556 12,559 1,560 2,564 1.669,565 2.057,566 3.257,567 -0.219,568 1,569 1,571 1,573 70.772,574 1.815,575 4.004,576 4.599,577 4.721,578 4.721,579 4.721,580 2.705,581 4.168,582 4.56,583 3.407,584 940.224,585 7.865,586 11003.3,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.185,595 0.004,596 0.053,597 0.052,598 0.034,599 0.026,600 0.014,601 0.01,602 0.01,603 0.009,604 0.397,605 0.5,606 1,607 0.49,608 113.795,609 -0.081,610 -0.261,611 0.056,612 -0.157,613 -0.031,614 -0.035,615 -0.039,616 -0.106,617 0.031,618 -0.061,619 0.032,620 -0.015,621 -0.208,622 0.04,623 -0.124,624 0.104,625 -0.093,626 0.045,627 0.232,628 0.028,629 0.055,630 -0.091,631 0.116,632 -0.092,633 -0.109,634 -0.087,635 -0.031,636 -0.045,637 -0.109,638 -0.011,639 -0.007,640 -0.095,641 -0.108,642 -0.138,643 -0.076,644 -0.157,645 0.11,646 0.063,647 0.172,648 0.079,649 0.053,650 0.13,651 -0.265,652 0.056,653 0.031,654 0.236,655 -0.126,656 0.247,657 2.106,658 5.695,659 0.875,660 18.965,661 1.031,662 1.14,663 2.353,664 5.538,665 0.664,666 3.332,667 3.664,668 3.932,669 4.234,670 4.431,671 4.477,672 4.585,673 4.718,674 4.771,675 4.836,676 5.834,677 0.661,678 330.35,679 3.332,680 4.875,681 5.727,682 6.611,683 7.477,684 8.365,685 9.237,686 10.127,687 11.002,688 11.892,689 10.3,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,730 1,731 39,733 13,734 1,735 27,737 42,738 16,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 15,782 8,783 1,784 8,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 1,856 1,859 1,869 1,870 7.7,873 1,874 1,875 1,877 11.667,878 7.076,879 5.167,880 2.333,881 2.717,882 1.368,883 1.012,884 4.044,885 10.101,886 3.584,887 4.178,888 4.75,889 5.365,890 5.817,891 6.123,892 6.456,893 6.869,894 6.986,895 7.294,896 1,897 36,898 8.916,900 3.926,901 7.986,902 16.628,904 13.728,905 2.486,906 59.667,910 164.795,911 84.318,912 54.706,914 45.652,915 14.96,917 84.318,918 210.448,919 69.666,921 33.941,922 37.905,923 64.983,924 43.01,925 19.796,926 164.795,928 164.795,929 139.024,930 60.612,933 179.756,934 34.652,935 11,937 61.015,938 51.746,939 26.262,941 179.756,942 100.358,943 84.318,946 164.795,947 46.413,948 41.029,949 18.011,950 94.183,951 164.795,952 115.318,953 84.318,955 0.582,956 0.336,957 0.191,958 0.104,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.694,966 199.734,967 0.095,968 21,969 106.039,974 15.303,975 6.342,976 3.214,977 0.552,978 115.318,979 4.537,980 4.142,982 5.531,984 -0.136,986 18.011,987 364.431,988 35,993 11.906,995 1.459,996 4.466,997 0.777,999 40.203,1000 44.452,1001 0.343,1002 0.758,1003 0.87,1004 0.893,1005 0.893,1006 0.893,1007 4.832,1008 1.374,1009 5.707,1010 4.212,1011 4.344,1012 4.864,1013 2.316,1014 6.506,1015 4.243,1016 6.035,1017 1.068,1018 7.251,1019 3.421,1020 3.892,1021 4.705,1022 1.048,1023 7.322,1024 3.751,1025 7.345,1026 1,1027 8.89,1028 2.607,1029 5.922,1030 7.065,1031 2.547,1032 10.436,1033 5.73,1034 8.689,1035 0.623,1036 10.587,1037 2.136,1038 6.275,1039 7.759,1040 1.926,1041 12.088,1042 6.04,1043 10.065,1044 -0.044,1045 12.32,1046 1.588,1047 7.775,1048 9.606,1049 3.017,1050 14.694,1051 7.496,1052 11.464,1053 -0.341,1054 14.079,1055 -0.126,1056 8.52,1057 10.723,1058 2.824,1059 16.71,1060 8.198,1061 12.883,1062 -0.393,1063 15.858,1064 -0.818,1065 9.793,1066 12.359,1067 3.646,1068 19.127,1069 9.43,1070 3.094,1071 -0.577,1072 17.651,1073 -1.007,1074 10.73,1075 13.684,1076 3.721,1077 21.304,1078 10.325,1079 2.939,1080 10.221,1081 19.456,1082 -1.39,1083 11.905,1084 15.235,1085 4.375,1086 23.648,1087 11.461,1088 2.507,1089 9.327,1090 21.271,1091 4.51,1092 12.934,1093 16.656,1094 4.604,1095 25.896,1096 12.451,1097 2.242,1098 7.547,1099 23.094,1100 3.633,1101 14.068,1102 18.174,1103 5.16,1104 28.214,1105 13.548,1106 1.94,1107 6.44,1108 24.923,1109 3.074,1110 15.14,1111 19.639,1112 5.476,1113 30.494,1114 14.583,1115 1.747,1116 5.551,1117 26.757,1118 2.721,1119 16.26,1120 21.146,1121 5.975,1122 32.804,1123 15.666,1124 1.69,1125 4.947,1126 28.595,1127 2.591,1128 17.353,1129 22.632,1130 6.339,1131 35.099,1132 16.723,1133 6300,1134 11343,1135 18.493,1136 25.892,1137 40.911,1138 42.011,1139 41.277,1140 40.425,1141 40.452,1142 51.776,1143 9.351,1144 115.992,1145 38.312,1146 5.553,1147 5.582,1148 6.313,1149 5.165,1150 5.094,1151 7.51,1152 2.695,1153 16.957,1154 4.991,1155 8.666,1156 1.515,1157 1.556,1158 1.529,1159 1.497,1160 1.498,1161 1.918,1162 0.346,1163 4.296,1164 1.419,1165 4.09,1166 4.106,1167 4.069,1168 3.948,1169 8.201,1170 3.973,1171 3.888,1172 3.936,1173 3.836,1174 3.697,1175 7.43,1176 3.725,1177 3.663,1178 3.715,1179 3.558,1180 3.45,1181 5.177,1182 3.468,1183 3.415,1184 3.446,1185 3.345,1186 3.244,1187 4.75,1188 3.262,1189 3.111,1190 3.206,1191 2.964,1192 2.941,1193 4.575,1194 2.91,1195 3.038,1196 3.084,1197 2.891,1198 2.862,1199 4.317,1200 2.875,1201 2.944,1202 2.99,1203 2.869,1204 2.756,1205 3.901,1206 2.777,1207 2.942,1208 2.986,1209 2.866,1210 2.594,1211 3.857,1212 2.659,1213 0.169,1214 0.133,1215 0.241,1216 0.15,1217 0.115,1218 4.553,1219 0.167,1220 3.582,1221 0.057,1222 6.511,1223 0.379,1224 4.062,1225 0.111,1226 3.094,1227 4.51,1228 1.528,1229 10.221,1230 2.991,1231 1.883,1232 1.866,1233 1.962,1234 2.026,1235 1.209,1236 2.003,1237 1.804,1238 1.757,1239 1.949,1240 1.99,1241 1.051,1242 1.979,1243 1.611,1244 1.56,1245 1.785,1246 1.855,1247 0.956,1248 1.837,1249 1.373,1250 1.346,1251 1.522,1252 1.613,1253 0.825,1254 1.575,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 0.927,1262 0.883,1263 1.1,1264 1.181,1265 0.21,1266 1.157,1267 0.899,1268 0.867,1269 1.065,1270 1.14,1271 0.137,1272 1.101,1273 0.775,1274 0.719,1275 1.054,1276 1.091,1277 0.114,1278 1.084,1279 4.007,1281 5.333,1282 2.398,1283 6.849,1284 4.727,1285 8.453,1286 6.843,1287 10.1,1291 13.695,1295 2.762,1296 2.676,1297 5.306,1300 1.994,1305 25.774,1306 70.772,1307 156.157,1308 179.376,1309 184.131,1310 184.131,1311 184.131,1312 40.419,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.424,1318 3.807,1319 3.17,1320 33.882,1321 84,1322 76,1323 0.197,1324 154.547,1325 272.08,1326 368.854,1327 16110,1328 2.6,1329 16.518,1330 0.688,1331 0.533,1332 15.648,1333 12.789,1334 11.687,1335 0.433,1336 0.284,1337 7.476,1338 10.957,1339 7.411,1340 6.017,1341 11.276,1342 7.658,1343 10.742,1344 0.283,1345 0.145,1346 10.214,1347 5.521,1348 8.872,1349 0.177,1350 0.077,1351 8.399,1352 3.845,1353 7.871,1354 0.116,1355 0.04,1356 7.507,1357 2.712,1358 6.196,1359 0.075,1360 0.021,1361 5.964,1362 1.779,1363 0.307,1364 75.18,1365 0.233,1366 23.358,1367 0.544,1368 130,1369 502.586,1370 151.929,1371 443.24,1372 595.38,1373 416,1374 153,1375 432.583,1376 174.552,1377 421.264,1378 623.04,1379 398,1380 5}
{0 CHEMBL2064352,1 1.815,2 10.083,3 1.526,4 2.328,5 82.67,6 8.471,7 0.37,8 3.824,9 3.925,10 3.497,11 3.288,12 4.995,13 3.33,14 4.379,15 4.529,16 3.879,17 3.656,18 5.603,19 3.691,20 4.585,21 4.783,22 3.822,23 3.722,24 5.74,25 3.73,26 4.499,27 4.707,28 3.742,29 3.664,30 5.689,31 3.625,32 4.419,33 4.627,34 3.665,35 3.549,36 5.6,37 3.537,38 4.373,39 4.562,40 3.612,41 3.498,42 5.6,43 3.481,44 4.343,45 4.564,46 3.501,47 3.361,48 5.562,49 3.363,50 4.169,51 4.391,52 3.35,53 3.235,54 5.361,55 3.228,56 0.156,57 0.673,58 6.297,59 3.285,60 11.711,61 3.698,62 0.498,63 1.054,64 14.039,65 5.388,66 28.401,67 6.314,68 0.781,69 1.2,70 20.64,71 6.064,72 61.449,73 7.21,74 0.665,75 1.101,76 18.469,77 6.595,78 55.225,79 8.687,80 0.63,81 0.953,82 17.541,83 5.583,84 54.637,85 7.383,86 0.612,87 0.873,88 16.264,89 5.559,90 61.498,91 7.115,92 0.693,93 0.842,94 17.776,95 4.861,96 70.988,97 6.257,98 0.578,99 0.724,100 15.189,101 4.307,102 44.18,103 5.587,104 5,105 38,106 0.322,107 0.709,108 0.815,109 0.837,110 0.837,111 0.837,112 3.229,113 0.85,114 -3.58,115 -3.56,116 -3.39,119 41,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 2,175 8,178 2,180 2,183 1,186 1,187 3,195 1,198 4,199 3,202 3,207 3,211 1,212 1,220 1,223 4,224 4,229 2,236 1,237 2,240 1,242 1,250 4,258 2,262 2,263 2,271 1,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 19.368,283 9.716,284 16.818,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 22.839,292 4.729,293 14.181,294 3.471,295 1.281,296 0.686,297 0.564,298 0.564,299 0.564,300 3.929,303 1,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 33.875,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 242,332 4.49,333 3.581,334 6.274,335 4.002,336 3.031,337 4.434,338 1.528,339 9.6,340 2.947,341 4.253,342 3.179,343 6.199,344 3.871,345 2.929,346 3.632,347 1.005,348 9.312,349 2.758,350 3.746,351 3.104,352 5.532,353 3.443,354 2.5,355 3.139,356 0.864,357 7.474,358 2.35,359 3.581,360 2.93,361 5.131,362 3.237,363 2.277,364 2.762,365 0.86,366 6.345,367 2.183,368 3.424,369 2.662,370 4.917,371 2.994,372 2.02,373 2.588,374 0.367,375 5.667,376 1.937,377 3.153,378 2.312,379 4.659,380 2.685,381 1.744,382 2.372,383 0.052,384 4.943,385 1.636,386 3.004,387 2.059,388 4.396,389 2.592,390 1.664,391 2.228,393 4.268,394 1.53,395 2.885,396 1.534,397 4.341,398 2.488,399 1.51,400 1.874,402 4.202,403 1.472,404 2.213,405 1.511,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.723,424 3.159,425 1.438,426 0.473,427 0.689,428 1.187,429 0.453,430 1.318,431 0.66,432 2.964,433 0.917,434 -0.046,435 -0.053,436 -0.137,437 -0.044,438 1.083,439 0.336,440 2.56,441 0.627,442 -0.386,443 -0.499,445 -0.989,446 -0.371,447 0.873,448 0.043,449 2.378,450 0.475,451 -0.435,452 -0.545,454 -1.12,455 -0.386,456 0.629,457 -0.207,458 2.272,459 0.379,460 -0.577,461 -0.71,463 -1.393,464 -0.558,465 10.886,466 0.454,467 0.588,468 0.025,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 17.909,476 0.746,477 26.314,478 0.675,479 21.525,480 0.897,481 6.21,482 0.259,483 5.46,484 0.227,485 0.057,487 0.358,491 1,493 0.75,494 1.308,495 0.637,496 1.197,497 0.545,498 0.946,499 0.9,500 1.074,501 0.81,502 1.026,503 0.571,504 0.921,505 1.28,506 0.954,507 1.152,508 0.815,509 1.051,510 0.89,511 0.605,512 0.847,513 0.914,514 1.059,515 0.662,516 1.095,517 0.787,518 0.947,519 0.896,520 0.993,521 0.837,522 0.972,523 0.8,524 0.927,525 0.955,526 1.1,527 0.971,528 1.094,529 1.134,530 0.912,531 1.025,532 0.835,533 1.305,534 0.864,535 1.071,536 0.605,537 0.921,538 0.701,539 0.725,540 0.749,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 21839,553 2.161,554 38.5,556 12,559 1,560 2,564 1.668,565 2.057,566 3.33,567 -0.219,568 1,569 1,571 1,573 70.772,574 1.815,575 4.004,576 4.599,577 4.721,578 4.721,579 4.721,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.081,610 -0.261,611 0.056,612 -0.157,613 -0.032,614 -0.035,615 -0.039,616 -0.106,617 0.031,618 -0.061,619 0.051,620 -0.015,621 -0.284,622 0.021,623 -0.194,624 0.106,625 -0.163,626 0.026,627 0.183,628 0.081,629 0.023,630 -0.089,631 0.089,632 -0.104,633 0.044,634 -0.086,635 0.063,636 -0.046,637 -0.002,638 0.009,639 0.067,640 -0.132,641 -0.009,642 -0.144,643 0.005,644 -0.12,645 -0.094,646 -0.024,647 0.018,648 0.081,649 -0.124,650 0.097,651 -0.053,652 0.229,653 0.124,654 0.242,655 0.057,656 0.242,657 2.039,658 5.227,659 0.875,660 19.417,661 1.031,662 1.14,663 2.353,664 5.538,665 0.664,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.661,678 330.35,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 10.3,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,730 1,731 39,733 13,734 1,735 27,737 42,738 16,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 15,782 8,783 1,784 8,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 1,856 1,859 1,869 1,870 7.7,873 1,874 1,875 1,877 11.667,878 7.076,879 5.139,880 2.326,881 2.699,882 1.366,883 1.012,884 4.044,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.903,900 3.906,901 7.986,902 16.628,904 13.723,905 2.486,906 59.667,910 164.795,911 84.318,912 54.706,914 45.652,915 14.96,917 84.318,918 210.448,919 69.666,921 33.941,922 37.905,923 64.983,924 43.01,925 19.796,926 164.795,928 164.795,929 139.024,930 60.612,933 179.756,934 34.652,935 11,937 61.015,938 51.746,939 26.262,941 179.756,942 100.358,943 84.318,946 164.795,947 46.413,948 41.029,949 18.011,950 94.183,951 164.795,952 115.318,953 84.318,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.303,975 6.342,976 3.352,977 0.94,978 115.318,979 4.153,980 4.238,982 5.579,984 0.001,986 18.011,987 364.431,988 35,993 11.907,995 1.469,996 4.481,997 0.832,999 40.203,1000 44.452,1001 0.343,1002 0.758,1003 0.87,1004 0.893,1005 0.893,1006 0.893,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.243,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.751,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.722,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 6.01,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.466,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.141,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.371,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.242,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.372,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.34,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.427,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.443,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.514,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.554,1133 6373,1134 11546,1135 18.493,1136 25.892,1137 40.915,1138 41.874,1139 41.066,1140 40.442,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 38.292,1146 5.49,1147 5.581,1148 6.076,1149 5.106,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.947,1155 8.805,1156 1.515,1157 1.551,1158 1.521,1159 1.498,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.418,1165 4.088,1166 4.105,1167 4.064,1168 3.948,1169 8.201,1170 3.972,1171 3.887,1172 3.936,1173 3.835,1174 3.697,1175 7.43,1176 3.725,1177 3.664,1178 3.715,1179 3.56,1180 3.45,1181 5.191,1182 3.468,1183 3.425,1184 3.454,1185 3.374,1186 3.243,1187 4.751,1188 3.266,1189 3.111,1190 3.206,1191 2.992,1192 2.941,1193 4.575,1194 2.91,1195 3.053,1196 3.094,1197 2.872,1198 2.86,1199 4.216,1200 2.883,1201 2.944,1202 2.99,1203 2.866,1204 2.758,1205 3.949,1206 2.759,1207 2.903,1208 2.958,1209 2.796,1210 2.594,1211 3.889,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.148,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 4.002,1225 0.109,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.947,1231 1.884,1232 1.866,1233 1.959,1234 2.026,1235 1.209,1236 2.003,1237 1.804,1238 1.757,1239 1.949,1240 1.99,1241 1.052,1242 1.979,1243 1.611,1244 1.56,1245 1.785,1246 1.855,1247 0.956,1248 1.837,1249 1.374,1250 1.347,1251 1.523,1252 1.613,1253 0.825,1254 1.576,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 0.944,1262 0.891,1263 1.168,1264 1.181,1265 0.22,1266 1.168,1267 0.868,1268 0.852,1269 1.069,1270 1.14,1271 0.2,1272 1.108,1273 0.776,1274 0.719,1275 0.963,1276 1.096,1277 0.02,1278 1.052,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1291 13.227,1295 2.834,1296 2.692,1297 5.31,1300 2.004,1305 25.774,1306 70.772,1307 156.157,1308 179.376,1309 184.131,1310 184.131,1311 184.131,1312 39.255,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 154.547,1325 272.08,1326 368.854,1327 16112,1328 2.6,1329 16.518,1330 0.688,1331 0.533,1332 15.648,1333 12.789,1334 11.67,1335 0.432,1336 0.283,1337 7.47,1338 10.931,1339 7.403,1340 6.007,1341 11.276,1342 7.652,1343 10.848,1344 0.285,1345 0.146,1346 10.214,1347 5.546,1348 8.734,1349 0.178,1350 0.078,1351 8.399,1352 3.825,1353 7.762,1354 0.116,1355 0.04,1356 7.507,1357 2.699,1358 6.233,1359 0.075,1360 0.021,1361 5.964,1362 1.784,1363 0.304,1364 75.079,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 502.586,1370 151.929,1371 443.343,1372 594.74,1373 416,1374 152,1375 431.583,1376 172.706,1377 420.317,1378 619.15,1379 397,1380 5}
{0 CHEMBL2064353,1 1.815,2 10.083,3 1.526,4 2.328,5 82.67,6 8.471,7 0.37,8 3.824,9 3.925,10 3.497,11 3.288,12 4.995,13 3.33,14 4.379,15 4.529,16 3.879,17 3.656,18 5.603,19 3.691,20 4.585,21 4.783,22 3.822,23 3.722,24 5.739,25 3.73,26 4.5,27 4.707,28 3.748,29 3.665,30 5.701,31 3.625,32 4.418,33 4.627,34 3.659,35 3.549,36 5.587,37 3.537,38 4.373,39 4.562,40 3.612,41 3.498,42 5.6,43 3.481,44 4.343,45 4.564,46 3.501,47 3.361,48 5.562,49 3.363,50 4.169,51 4.391,52 3.35,53 3.235,54 5.361,55 3.228,56 0.156,57 0.673,58 6.297,59 3.285,60 11.711,61 3.698,62 0.498,63 1.054,64 14.039,65 5.388,66 28.401,67 6.314,68 0.781,69 1.2,70 20.64,71 6.064,72 61.531,73 7.21,74 0.721,75 1.074,76 18.512,77 6.606,78 57.729,79 8.704,80 0.574,81 0.98,82 17.499,83 5.573,84 52.051,85 7.366,86 0.612,87 0.873,88 16.264,89 5.559,90 61.498,91 7.115,92 0.693,93 0.842,94 17.776,95 4.861,96 70.988,97 6.257,98 0.578,99 0.724,100 15.189,101 4.307,102 44.18,103 5.587,104 5,105 38,106 0.322,107 0.709,108 0.815,109 0.837,110 0.837,111 0.837,112 3.229,113 0.85,114 -3.58,115 -3.56,116 -3.39,119 41,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 1,174 2,175 8,178 2,180 2,183 1,186 1,187 3,195 1,198 4,199 3,202 3,207 3,211 1,212 1,220 1,223 4,224 4,229 2,236 1,237 2,240 1,242 1,250 4,258 2,262 2,263 2,271 1,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 19.368,283 9.716,284 16.818,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 22.839,292 4.729,293 14.181,294 3.471,295 1.281,296 0.686,297 0.564,298 0.564,299 0.564,300 3.929,303 1,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 33.875,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 242,332 4.49,333 3.581,334 6.274,335 4.003,336 3.031,337 4.434,338 1.528,339 9.6,340 2.948,341 4.253,342 3.179,343 6.199,344 3.871,345 2.929,346 3.632,347 1.005,348 9.312,349 2.758,350 3.746,351 3.104,352 5.532,353 3.442,354 2.5,355 3.139,356 0.864,357 7.474,358 2.35,359 3.581,360 2.93,361 5.131,362 3.235,363 2.277,364 2.762,365 0.86,366 6.345,367 2.181,368 3.424,369 2.662,370 4.917,371 2.991,372 2.02,373 2.588,374 0.367,375 5.667,376 1.93,377 3.153,378 2.312,379 4.659,380 2.686,381 1.744,382 2.372,383 0.052,384 4.943,385 1.64,386 3.004,387 2.059,388 4.396,389 2.596,390 1.664,391 2.228,393 4.268,394 1.537,395 2.885,396 1.534,397 4.341,398 2.49,399 1.51,400 1.874,402 4.202,403 1.473,404 2.213,405 1.511,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.723,424 3.159,425 1.429,426 0.473,427 0.689,428 1.187,429 0.448,430 1.318,431 0.66,432 2.964,433 0.924,434 -0.046,435 -0.053,436 -0.137,437 -0.044,438 1.083,439 0.336,440 2.56,441 0.627,442 -0.386,443 -0.499,445 -0.989,446 -0.372,447 0.873,448 0.043,449 2.378,450 0.476,451 -0.435,452 -0.545,454 -1.12,455 -0.386,456 0.629,457 -0.207,458 2.272,459 0.375,460 -0.577,461 -0.71,463 -1.393,464 -0.556,465 10.886,466 0.454,467 0.588,468 0.025,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 17.913,476 0.746,477 26.314,478 0.675,479 21.522,480 0.897,481 6.21,482 0.259,483 5.46,484 0.227,485 0.057,487 0.358,491 1,493 0.75,494 1.308,495 0.637,496 1.197,497 0.545,498 0.946,499 0.9,500 1.074,501 0.81,502 1.026,503 0.571,504 0.921,505 1.28,506 0.954,507 1.152,508 0.815,509 1.052,510 0.89,511 0.545,512 0.866,513 0.903,514 1.058,515 0.642,516 1.097,517 0.851,518 0.927,519 0.908,520 0.995,521 0.857,522 0.97,523 0.8,524 0.927,525 0.955,526 1.1,527 0.971,528 1.094,529 1.134,530 0.912,531 1.025,532 0.835,533 1.305,534 0.864,535 1.071,536 0.605,537 0.921,538 0.701,539 0.725,540 0.749,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 21831,553 2.161,554 38.5,556 12,559 1,560 2,564 1.668,565 2.057,566 3.33,567 -0.219,568 1,569 1,571 1,573 70.772,574 1.815,575 4.004,576 4.599,577 4.721,578 4.721,579 4.721,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.081,610 -0.261,611 0.056,612 -0.157,613 -0.032,614 -0.035,615 -0.039,616 -0.106,617 0.031,618 -0.061,619 0.051,620 -0.015,621 -0.284,622 0.021,623 -0.194,624 0.106,625 -0.164,626 0.026,627 0.244,628 0.062,629 0.035,630 -0.088,631 0.109,632 -0.106,633 -0.022,634 -0.065,635 0.051,636 -0.047,637 -0.022,638 0.011,639 0.067,640 -0.132,641 -0.009,642 -0.144,643 0.005,644 -0.12,645 -0.094,646 -0.024,647 0.018,648 0.081,649 -0.124,650 0.097,651 -0.053,652 0.229,653 0.124,654 0.242,655 0.057,656 0.242,657 2.05,658 5.221,659 0.875,660 19.417,661 1.031,662 1.14,663 2.353,664 5.538,665 0.664,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.661,678 330.35,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 10.3,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,730 1,731 39,733 13,734 1,735 27,737 42,738 16,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 15,782 8,783 1,784 8,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 1,856 1,859 1,869 1,870 7.7,873 1,874 1,875 1,877 11.667,878 7.076,879 5.139,880 2.326,881 2.699,882 1.366,883 1.012,884 4.044,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.903,900 3.906,901 7.986,902 16.628,904 13.723,905 2.486,906 59.667,910 164.795,911 84.318,912 54.706,914 45.652,915 14.96,917 84.318,918 210.448,919 69.666,921 33.941,922 37.905,923 64.983,924 43.01,925 19.796,926 164.795,928 164.795,929 139.024,930 60.612,933 179.756,934 34.652,935 11,937 61.015,938 51.746,939 26.262,941 179.756,942 100.358,943 84.318,946 164.795,947 46.413,948 41.029,949 18.011,950 94.183,951 164.795,952 115.318,953 84.318,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.303,975 6.342,976 3.352,977 0.94,978 115.318,979 4.165,980 4.292,982 5.531,984 -0.01,986 18.011,987 364.431,988 35,993 11.907,995 1.469,996 4.481,997 0.832,999 40.203,1000 44.452,1001 0.343,1002 0.758,1003 0.87,1004 0.893,1005 0.893,1006 0.893,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.243,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.751,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.722,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 6.01,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.466,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.141,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.372,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.243,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.373,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.342,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.429,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.446,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.517,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.557,1133 6373,1134 11545,1135 18.493,1136 25.892,1137 40.915,1138 41.874,1139 41.066,1140 40.43,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 38.29,1146 5.49,1147 5.581,1148 6.076,1149 5.106,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.948,1155 8.805,1156 1.515,1157 1.551,1158 1.521,1159 1.497,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.418,1165 4.088,1166 4.105,1167 4.064,1168 3.948,1169 8.201,1170 3.972,1171 3.887,1172 3.936,1173 3.835,1174 3.697,1175 7.43,1176 3.725,1177 3.664,1178 3.715,1179 3.56,1180 3.45,1181 5.19,1182 3.468,1183 3.425,1184 3.454,1185 3.373,1186 3.243,1187 4.75,1188 3.266,1189 3.111,1190 3.206,1191 2.99,1192 2.941,1193 4.575,1194 2.91,1195 3.051,1196 3.095,1197 2.872,1198 2.86,1199 4.244,1200 2.883,1201 2.944,1202 2.99,1203 2.866,1204 2.759,1205 3.931,1206 2.759,1207 2.906,1208 2.957,1209 2.804,1210 2.594,1211 3.859,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.148,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 4.003,1225 0.109,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.948,1231 1.884,1232 1.866,1233 1.96,1234 2.026,1235 1.209,1236 2.003,1237 1.804,1238 1.757,1239 1.949,1240 1.99,1241 1.053,1242 1.979,1243 1.611,1244 1.56,1245 1.785,1246 1.855,1247 0.956,1248 1.837,1249 1.374,1250 1.347,1251 1.523,1252 1.613,1253 0.825,1254 1.576,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 0.939,1262 0.893,1263 1.163,1264 1.18,1265 0.215,1266 1.169,1267 0.876,1268 0.848,1269 1.07,1270 1.139,1271 0.194,1272 1.109,1273 0.776,1274 0.719,1275 0.975,1276 1.098,1277 0.038,1278 1.05,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1291 13.221,1295 2.834,1296 2.692,1297 5.31,1300 2.004,1305 25.774,1306 70.772,1307 156.157,1308 179.376,1309 184.131,1310 184.131,1311 184.131,1312 39.248,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 154.547,1325 272.08,1326 368.854,1327 16112,1328 2.6,1329 16.518,1330 0.688,1331 0.533,1332 15.648,1333 12.789,1334 11.67,1335 0.432,1336 0.283,1337 7.47,1338 10.931,1339 7.403,1340 6.007,1341 11.276,1342 7.652,1343 10.848,1344 0.285,1345 0.146,1346 10.214,1347 5.546,1348 8.734,1349 0.178,1350 0.078,1351 8.399,1352 3.826,1353 7.762,1354 0.116,1355 0.04,1356 7.507,1357 2.697,1358 6.233,1359 0.075,1360 0.022,1361 5.964,1362 1.785,1363 0.304,1364 75.079,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 502.586,1370 151.929,1371 443.343,1372 594.74,1373 416,1374 152,1375 431.583,1376 172.706,1377 420.317,1378 619.16,1379 397,1380 5}
{0 CHEMBL2064354,1 1.815,2 9.5,3 1.526,4 2.328,5 82.67,6 8.471,7 0.37,8 3.824,9 3.925,10 3.497,11 3.288,12 4.995,13 3.33,14 4.379,15 4.529,16 3.879,17 3.656,18 5.591,19 3.691,20 4.587,21 4.783,22 3.862,23 3.722,24 5.792,25 3.734,26 4.505,27 4.71,28 3.777,29 3.663,30 5.738,31 3.636,32 4.417,33 4.627,34 3.616,35 3.549,36 5.525,37 3.531,38 4.385,39 4.571,40 3.619,41 3.497,42 5.652,43 3.488,44 4.339,45 4.561,46 3.552,47 3.363,48 5.612,49 3.363,50 4.174,51 4.393,52 3.337,53 3.232,54 5.311,55 3.239,56 0.156,57 0.673,58 6.297,59 3.285,60 11.738,61 3.698,62 0.498,63 1.054,64 14.039,65 5.388,66 29.35,67 6.314,68 0.851,69 1.201,70 20.642,71 6.059,72 64.933,73 7.341,74 0.676,75 1.149,76 18.545,77 6.616,78 55.585,79 8.557,80 0.561,81 0.952,82 17.54,83 5.588,84 52.299,85 7.251,86 0.671,87 0.919,88 16.582,89 5.594,90 70.028,91 6.811,92 0.71,93 0.851,94 17.619,95 4.809,96 68.846,97 6.617,98 0.542,99 0.739,100 15.263,101 4.362,102 43.456,103 5.249,104 5,105 38,106 0.322,107 0.709,108 0.815,109 0.837,110 0.837,111 0.837,112 3.229,113 0.851,114 -3.58,115 -3.56,116 -3.39,119 41,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 2,174 2,175 7,178 2,180 2,183 1,186 1,187 3,198 4,199 4,202 3,207 2,211 1,212 1,220 2,223 4,224 3,229 1,236 1,237 3,240 1,242 2,250 2,258 1,262 2,263 4,271 2,275 782,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.667,282 19.368,283 9.741,284 16.859,285 13.393,286 13.393,287 13.393,288 13.393,289 13.393,290 10.658,291 22.839,292 4.702,293 14.151,294 3.471,295 1.281,296 0.686,297 0.564,298 0.564,299 0.564,300 3.929,303 1,304 1,305 1,306 505,307 2.236,310 47.545,311 210.945,314 94.357,318 1.5,319 34.445,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 228,332 4.553,333 3.582,334 6.511,335 4.064,336 3.094,337 4.51,338 1.528,339 10.221,340 2.999,341 4.256,342 3.267,343 6.202,344 3.878,345 2.939,346 3.633,347 1.005,348 9.327,349 2.762,350 3.735,351 3.133,352 5.56,353 3.449,354 2.507,355 3.074,356 0.864,357 7.547,358 2.354,359 3.542,360 2.949,361 5.211,362 3.213,363 2.242,364 2.721,365 0.86,366 6.44,367 2.173,368 3.387,369 2.518,370 4.935,371 2.902,372 1.94,373 2.591,374 0.367,375 5.551,376 1.84,377 3.197,378 2.292,379 4.661,380 2.706,381 1.747,382 2.447,383 0.052,384 4.947,385 1.674,386 2.903,387 2.005,388 4.342,389 2.614,390 1.69,391 2.01,393 4.212,394 1.546,395 2.838,396 1.536,397 4.049,398 2.362,399 1.374,400 1.868,402 3.421,403 1.355,404 2.213,405 1.417,406 3.491,407 1.952,408 1.068,409 1.154,411 2.607,412 0.946,413 2.066,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 2,423 0.904,424 3.247,425 1.559,426 0.623,427 0.88,428 1.588,429 0.575,430 1.323,431 0.721,432 2.961,433 0.92,434 -0.044,435 -0.051,436 -0.126,437 -0.042,438 1.129,439 0.335,440 2.56,441 0.633,442 -0.341,443 -0.439,445 -0.818,446 -0.309,447 0.929,448 0.032,449 2.37,450 0.569,451 -0.393,452 -0.502,454 -1.007,455 -0.379,456 0.617,457 -0.207,458 2.272,459 0.383,460 -0.577,461 -0.708,463 -1.39,464 -0.561,465 10.886,466 0.454,467 0.571,468 0.024,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 18.001,476 0.75,477 26.314,478 0.675,479 21.616,480 0.901,481 6.225,482 0.259,483 5.461,484 0.228,485 0.057,487 0.358,491 1,493 0.75,494 1.308,495 0.637,496 1.197,497 0.544,498 0.946,499 0.9,500 1.074,501 0.81,502 1.026,503 0.59,504 0.921,505 1.15,506 0.953,507 1.072,508 0.816,509 0.964,510 0.873,511 0.675,512 0.935,513 0.903,514 1.065,515 0.749,516 1.073,517 0.936,518 0.948,519 0.987,520 0.992,521 0.942,522 0.992,523 1.009,524 1.017,525 1.07,526 1.101,527 1.269,528 1.112,529 0.864,530 0.761,531 0.865,532 0.834,533 1.017,534 0.842,535 1.362,536 0.852,537 1.024,538 0.711,539 1.039,540 0.733,541 5,542 0.052,543 2,544 1.882,545 1.103,546 0.719,547 0.38,548 0.251,549 0.214,550 0.163,551 6740,552 21287,553 2.161,554 38.5,556 12,559 1,560 2,564 1.669,565 2.057,566 3.257,567 -0.219,568 1,569 1,571 1,573 70.772,574 1.815,575 4.004,576 4.599,577 4.721,578 4.721,579 4.721,580 2.705,581 4.168,582 4.56,583 3.407,584 940.224,585 7.865,586 11003.3,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.185,595 0.004,596 0.053,597 0.052,598 0.034,599 0.026,600 0.014,601 0.01,602 0.01,603 0.009,604 0.397,605 0.5,606 1,607 0.49,608 113.795,609 -0.081,610 -0.261,611 0.056,612 -0.157,613 -0.031,614 -0.035,615 -0.039,616 -0.106,617 0.031,618 -0.061,619 0.031,620 -0.015,621 -0.151,622 0.021,623 -0.113,624 0.106,625 -0.074,626 0.044,627 0.171,628 0.048,629 0.044,630 -0.092,631 0.097,632 -0.09,633 -0.109,634 -0.087,635 -0.031,636 -0.045,637 -0.109,638 -0.011,639 -0.007,640 -0.095,641 -0.108,642 -0.138,643 -0.076,644 -0.157,645 0.11,646 0.063,647 0.172,648 0.079,649 0.053,650 0.13,651 -0.265,652 0.056,653 0.031,654 0.236,655 -0.126,656 0.247,657 2.13,658 5.684,659 0.875,660 18.965,661 1.031,662 1.14,663 2.353,664 5.538,665 0.664,666 3.332,667 3.664,668 3.932,669 4.234,670 4.431,671 4.477,672 4.585,673 4.718,674 4.771,675 4.836,676 5.834,677 0.661,678 330.35,679 3.332,680 4.875,681 5.727,682 6.611,683 7.477,684 8.365,685 9.237,686 10.127,687 11.002,688 11.892,689 10.3,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,730 1,731 39,733 13,734 1,735 27,737 42,738 16,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,779 1,781 15,782 8,783 1,784 8,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 1,856 1,859 1,869 1,870 7.7,873 1,874 1,875 1,877 11.667,878 7.076,879 5.167,880 2.333,881 2.717,882 1.368,883 1.012,884 4.044,885 10.101,886 3.584,887 4.178,888 4.75,889 5.365,890 5.817,891 6.123,892 6.456,893 6.869,894 6.986,895 7.294,896 1,897 36,898 8.917,900 3.927,901 7.986,902 16.628,904 13.728,905 2.486,906 59.667,910 164.795,911 84.318,912 54.706,914 45.652,915 14.96,917 84.318,918 210.448,919 69.666,921 33.941,922 37.905,923 64.983,924 43.01,925 19.796,926 164.795,928 164.795,929 139.024,930 60.612,933 179.756,934 34.652,935 11,937 61.015,938 51.746,939 26.262,941 179.756,942 100.358,943 84.318,946 164.795,947 46.413,948 41.029,949 18.011,950 94.183,951 164.795,952 115.318,953 84.318,955 0.582,956 0.336,957 0.191,958 0.104,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.694,966 199.734,967 0.095,968 21,969 106.039,974 15.303,975 6.342,976 3.214,977 0.552,978 115.318,979 4.561,980 4.238,982 5.446,984 -0.16,986 18.011,987 364.431,988 35,993 11.906,995 1.459,996 4.466,997 0.777,999 40.203,1000 44.452,1001 0.343,1002 0.758,1003 0.87,1004 0.893,1005 0.893,1006 0.893,1007 4.832,1008 1.374,1009 5.707,1010 4.212,1011 4.344,1012 4.864,1013 2.316,1014 6.506,1015 4.243,1016 6.035,1017 1.068,1018 7.251,1019 3.421,1020 3.892,1021 4.705,1022 1.048,1023 7.322,1024 3.751,1025 7.345,1026 1,1027 8.89,1028 2.607,1029 5.922,1030 7.065,1031 2.547,1032 10.436,1033 5.731,1034 8.689,1035 0.623,1036 10.587,1037 2.136,1038 6.275,1039 7.759,1040 1.926,1041 12.088,1042 6.043,1043 10.065,1044 -0.044,1045 12.32,1046 1.588,1047 7.775,1048 9.606,1049 3.017,1050 14.694,1051 7.5,1052 11.464,1053 -0.341,1054 14.079,1055 -0.126,1056 8.52,1057 10.723,1058 2.824,1059 16.71,1060 8.205,1061 12.883,1062 -0.393,1063 15.858,1064 -0.818,1065 9.793,1066 12.359,1067 3.646,1068 19.127,1069 9.438,1070 3.094,1071 -0.577,1072 17.651,1073 -1.007,1074 10.73,1075 13.684,1076 3.721,1077 21.304,1078 10.338,1079 2.939,1080 10.221,1081 19.456,1082 -1.39,1083 11.905,1084 15.235,1085 4.375,1086 23.648,1087 11.475,1088 2.507,1089 9.327,1090 21.271,1091 4.51,1092 12.934,1093 16.656,1094 4.604,1095 25.896,1096 12.468,1097 2.242,1098 7.547,1099 23.094,1100 3.633,1101 14.068,1102 18.174,1103 5.16,1104 28.214,1105 13.567,1106 1.94,1107 6.44,1108 24.923,1109 3.074,1110 15.14,1111 19.639,1112 5.476,1113 30.494,1114 14.605,1115 1.747,1116 5.551,1117 26.757,1118 2.721,1119 16.26,1120 21.146,1121 5.975,1122 32.804,1123 15.69,1124 1.69,1125 4.947,1126 28.595,1127 2.591,1128 17.353,1129 22.632,1130 6.339,1131 35.099,1132 16.751,1133 6300,1134 11342,1135 18.493,1136 25.892,1137 40.911,1138 42.011,1139 41.277,1140 40.438,1141 40.452,1142 51.776,1143 9.351,1144 115.992,1145 38.314,1146 5.553,1147 5.582,1148 6.313,1149 5.168,1150 5.094,1151 7.51,1152 2.695,1153 16.957,1154 4.999,1155 8.666,1156 1.515,1157 1.556,1158 1.529,1159 1.498,1160 1.498,1161 1.918,1162 0.346,1163 4.296,1164 1.419,1165 4.09,1166 4.106,1167 4.069,1168 3.948,1169 8.201,1170 3.973,1171 3.888,1172 3.936,1173 3.836,1174 3.697,1175 7.43,1176 3.725,1177 3.663,1178 3.715,1179 3.558,1180 3.45,1181 5.171,1182 3.468,1183 3.414,1184 3.446,1185 3.344,1186 3.244,1187 4.75,1188 3.262,1189 3.111,1190 3.206,1191 2.96,1192 2.941,1193 4.575,1194 2.91,1195 3.037,1196 3.084,1197 2.896,1198 2.862,1199 4.343,1200 2.875,1201 2.944,1202 2.99,1203 2.87,1204 2.756,1205 3.905,1206 2.777,1207 2.943,1208 2.986,1209 2.866,1210 2.594,1211 3.841,1212 2.659,1213 0.169,1214 0.133,1215 0.241,1216 0.151,1217 0.115,1218 4.553,1219 0.167,1220 3.582,1221 0.057,1222 6.511,1223 0.379,1224 4.064,1225 0.111,1226 3.094,1227 4.51,1228 1.528,1229 10.221,1230 2.999,1231 1.884,1232 1.866,1233 1.962,1234 2.026,1235 1.209,1236 2.003,1237 1.804,1238 1.757,1239 1.949,1240 1.99,1241 1.052,1242 1.979,1243 1.611,1244 1.56,1245 1.785,1246 1.855,1247 0.955,1248 1.837,1249 1.373,1250 1.346,1251 1.521,1252 1.613,1253 0.825,1254 1.575,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 0.926,1262 0.884,1263 1.104,1264 1.181,1265 0.21,1266 1.158,1267 0.899,1268 0.866,1269 1.067,1270 1.14,1271 0.149,1272 1.101,1273 0.775,1274 0.719,1275 1.042,1276 1.091,1277 0.095,1278 1.084,1279 4.007,1281 5.333,1282 2.398,1283 6.849,1284 4.727,1285 8.453,1286 6.843,1287 10.1,1291 13.684,1295 2.762,1296 2.676,1297 5.306,1300 1.994,1305 25.774,1306 70.772,1307 156.157,1308 179.376,1309 184.131,1310 184.131,1311 184.131,1312 40.383,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.424,1318 3.807,1319 3.17,1320 33.882,1321 84,1322 76,1323 0.197,1324 154.547,1325 272.08,1326 368.854,1327 16110,1328 2.6,1329 16.518,1330 0.688,1331 0.533,1332 15.648,1333 12.789,1334 11.687,1335 0.433,1336 0.284,1337 7.476,1338 10.959,1339 7.411,1340 6.018,1341 11.276,1342 7.658,1343 10.742,1344 0.283,1345 0.145,1346 10.214,1347 5.522,1348 8.872,1349 0.177,1350 0.077,1351 8.399,1352 3.842,1353 7.871,1354 0.116,1355 0.04,1356 7.507,1357 2.713,1358 6.196,1359 0.075,1360 0.021,1361 5.964,1362 1.779,1363 0.307,1364 75.18,1365 0.233,1366 23.358,1367 0.544,1368 130,1369 502.586,1370 151.929,1371 443.273,1372 595.4,1373 416,1374 153,1375 432.583,1376 174.814,1377 421.352,1378 623.3,1379 398,1380 5}
{0 CHEMBL2064405,1 1.647,2 9.333,3 1.526,4 2.329,5 87.351,6 7.771,7 0.37,8 3.875,9 3.983,10 3.492,11 3.346,12 4.966,13 3.364,14 4.44,15 4.611,16 3.861,17 3.719,18 5.524,19 3.728,20 4.625,21 4.822,22 3.852,23 3.823,24 5.682,25 3.803,26 4.618,27 4.826,28 3.738,29 3.798,30 5.704,31 3.727,32 4.561,33 4.796,34 3.676,35 3.677,36 5.557,37 3.625,38 4.492,39 4.686,40 3.692,41 3.625,42 5.661,43 3.606,44 4.468,45 4.677,46 3.594,47 3.609,48 5.56,49 3.56,50 4.454,51 4.697,52 3.388,53 3.548,54 5.4,55 3.46,56 0.061,57 0.648,58 8.114,59 3.565,60 4.971,61 4.541,62 0.41,63 1.032,64 17.274,65 5.647,66 23.048,67 7.489,68 0.509,69 1.177,70 22.081,71 6.572,72 33.477,73 8.928,74 0.572,75 1.15,76 21.884,77 7.398,78 48.105,79 10.172,80 0.385,81 1.044,82 21.771,83 6.798,84 34.675,85 9.806,86 0.611,87 0.972,88 19.834,89 5.819,90 53.445,91 7.748,92 0.483,93 0.953,94 19.32,95 6.04,96 42.582,97 8.345,98 0.386,99 0.881,100 20.234,101 6.495,102 32.549,103 9.042,104 5,105 38,106 0.288,107 0.643,108 0.789,109 0.822,110 0.83,111 0.83,112 3.229,113 0.883,114 -3.44,115 -3.42,116 -3.27,119 40.5,121 1,124 1,125 4,135 1,139 1,142 4,146 1,152 1,158 2,161 1,172 3,174 4,175 10,183 2,186 1,187 4,195 1,198 7,199 4,207 3,211 1,212 1,220 2,223 4,224 6,236 2,237 5,250 4,258 2,262 2,263 4,271 2,275 814,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 14.814,282 18.757,283 9.752,284 16.907,285 13.361,286 13.361,287 13.361,288 13.361,289 13.361,290 10.731,291 23.284,292 4.686,293 14.077,294 3.745,295 1.708,296 0.875,297 0.685,298 0.637,299 0.637,300 3.929,303 1,304 1,305 1,306 497,307 2.236,310 47.429,311 212.76,314 94.148,318 1.444,319 25.159,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 224,332 4.471,333 3.741,334 6.448,335 4.041,336 3.091,337 4.403,338 1.58,339 9.964,340 2.952,341 4.344,342 3.166,343 6.24,344 3.93,345 2.96,346 3.723,347 1.084,348 9.454,349 2.855,350 3.787,351 3.083,352 6.033,353 3.574,354 2.651,355 2.962,356 0.864,357 8.57,358 2.444,359 3.543,360 2.865,361 5.272,362 3.179,363 2.187,364 2.779,365 0.86,366 6.532,367 2.161,368 3.277,369 2.331,370 4.853,371 2.766,372 1.798,373 2.48,374 0.368,375 5.226,376 1.742,377 3.032,378 2.198,379 4.496,380 2.7,381 1.78,382 2.298,383 0.225,384 4.529,385 1.619,386 2.956,387 1.675,388 4.414,389 2.513,390 1.532,391 1.984,393 4.312,394 1.501,395 2.833,396 1.532,397 3.611,398 2.351,399 1.357,400 1.946,402 2.953,403 1.347,404 2.258,405 1.428,406 3.558,407 2.027,408 1.155,409 1.221,411 2.732,412 1,413 2,414 1.256,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.847,423 1.241,424 3.213,425 1.423,426 0.448,427 0.521,428 1.113,429 0.432,430 1.817,431 0.397,432 3,433 1.321,434 0.347,435 0.518,436 0.86,437 0.338,438 1.266,439 0.347,440 2.763,441 0.823,442 -0.161,443 -0.221,445 -0.45,446 -0.157,447 0.766,448 -0.035,449 2.555,450 0.441,451 -0.551,452 -0.664,454 -1.362,455 -0.541,456 0.611,457 -0.36,458 2.084,459 0.234,460 -0.724,461 -0.806,463 -1.776,464 -0.688,465 11.1,466 0.463,467 0.554,468 0.023,469 29.75,470 1.24,471 12.5,472 0.521,473 17.25,474 0.719,475 18.573,476 0.774,477 26.1,478 0.621,479 21.397,480 0.892,481 6.161,482 0.257,483 5.542,484 0.231,485 0.075,487 0.342,493 0.814,494 1.619,495 0.704,496 1.275,497 0.593,498 1.015,499 1.065,500 1.061,501 0.853,502 0.899,503 0.67,504 0.835,505 1.308,506 1.031,507 1.071,508 0.875,509 1.033,510 0.9,511 0.82,512 0.967,513 1.109,514 1.101,515 1.184,516 1.16,517 0.898,518 1.119,519 0.855,520 1.006,521 1.058,522 0.929,523 1.305,524 0.94,525 1.101,526 0.9,527 1.579,528 0.944,529 1.057,530 1.077,531 1.061,532 1.038,533 1.411,534 1.042,535 1.081,536 0.878,537 1.017,538 0.948,539 0.768,540 0.965,541 4.5,542 0.019,543 2.444,544 1.729,545 1.138,546 0.83,547 0.518,548 0.341,549 0.22,550 0.107,551 6602,552 17741,553 2.161,554 42.9,556 16,560 2,564 1.671,565 2.057,566 3.242,567 -0.699,568 1,569 1,571 1,573 69.177,574 1.647,575 3.685,576 4.517,577 4.708,578 4.755,579 4.755,580 2.705,581 3.887,582 4.559,583 3.363,584 928.188,585 7.875,586 10764.6,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.167,595 0.002,596 0.064,597 0.047,598 0.037,599 0.028,600 0.017,601 0.013,602 0.01,603 0.007,604 0.391,605 0.5,606 1,607 0.49,608 113.214,609 -0.042,610 -0.419,611 0.087,612 -0.21,613 -0.024,614 -0.066,615 -0.01,616 0.052,617 0.07,618 0.06,619 0.04,620 0.075,621 -0.225,622 0.027,623 -0.111,624 0.064,625 -0.095,626 0.018,627 0.105,628 0.068,629 -0.165,630 -0.135,631 -0.044,632 -0.205,633 -0.001,634 -0.157,635 0.133,636 -0.042,637 -0.026,638 0.058,639 -0.032,640 0.075,641 -0.104,642 0.03,643 -0.017,644 -0.038,645 -0.007,646 -0.083,647 -0.085,648 -0.079,649 -0.04,650 -0.09,651 -0.126,652 0.029,653 -0.01,654 0.035,655 -0.022,656 0.042,657 1.752,658 5.28,659 0.875,660 18.257,661 1.014,662 1.132,663 2.206,664 4.867,665 0.66,666 3.332,667 3.664,668 3.951,669 4.22,670 4.443,671 4.489,672 4.625,673 4.745,674 4.762,675 4.828,676 5.672,677 0.641,678 326.39,679 3.332,680 4.875,681 5.733,682 6.613,683 7.487,684 8.372,685 9.252,686 10.139,687 11.021,688 11.909,689 9.5,692 1,696 1,698 1,699 1,703 2,704 4,705 1,707 1,709 1,711 10,731 42,733 13,734 1,735 27,737 45,738 17,739 7,740 2,741 4,742 4,746 4,747 5,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 7,784 7,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,827 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,856 1,859 2,870 7.1,873 1,874 1,875 1,877 11.667,878 7.967,879 5.194,880 2.521,881 2.687,882 1.366,883 0.997,884 4.085,885 10.022,886 3.584,887 4.163,888 4.744,889 5.325,890 5.785,891 6.064,892 6.431,893 6.82,894 6.889,895 7.253,896 1,897 37,898 8.889,900 3.815,901 7.729,902 16.989,904 13.97,905 2.229,906 53.5,910 211.88,911 93.069,912 39.82,914 45.652,917 93.069,918 257.532,919 39.82,920 8.396,921 19.055,922 47.381,923 64.983,924 33.889,925 4.836,926 211.88,928 211.88,929 132.889,930 45.652,933 211.88,934 34.652,935 11,937 46.129,938 60.498,939 26.262,941 211.88,942 85.472,943 93.069,946 211.88,947 37.292,948 62.026,950 79.223,951 211.88,952 85.472,953 93.069,955 0.583,956 0.345,957 0.187,958 0.103,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.675,966 201.141,967 0.095,968 21,969 106.039,974 15.364,975 6.381,976 3.106,977 1.545,978 85.472,979 7.605,980 4.465,982 5.752,984 0.554,987 390.421,988 35,993 12.28,995 1.57,996 4.656,997 1.237,999 42.574,1000 47.528,1001 0.305,1002 0.683,1003 0.838,1004 0.873,1005 0.882,1006 0.882,1007 4.832,1008 1.357,1009 5.714,1010 4.312,1011 4.344,1012 4.848,1013 2.377,1014 6.521,1015 4.249,1016 6.028,1017 1.155,1018 7.268,1019 2.953,1020 3.892,1021 4.635,1022 1.175,1023 7.365,1024 3.755,1025 7.333,1026 1,1027 8.92,1028 2.732,1029 5.932,1030 7.025,1031 2.653,1032 10.479,1033 5.745,1034 8.674,1035 0.448,1036 10.631,1037 2.136,1038 6.312,1039 7.674,1040 2.149,1041 12.139,1042 6.079,1043 10.048,1044 0.347,1045 12.378,1046 1.113,1047 7.808,1048 9.533,1049 3.185,1050 14.741,1051 7.53,1052 11.446,1053 -0.161,1054 14.149,1055 0.86,1056 8.574,1057 10.605,1058 3.11,1059 16.738,1060 8.25,1061 12.862,1062 -0.551,1063 15.938,1064 -0.45,1065 9.843,1066 12.24,1067 3.887,1068 19.147,1069 9.476,1070 3.091,1071 -0.724,1072 17.738,1073 -1.362,1074 10.792,1075 13.522,1076 4.06,1077 21.292,1078 10.38,1079 2.96,1080 9.964,1081 19.548,1082 -1.776,1083 11.964,1084 15.061,1085 4.69,1086 23.623,1087 11.511,1088 2.651,1089 9.454,1090 21.364,1091 4.403,1092 12.998,1093 16.444,1094 4.999,1095 25.835,1096 12.5,1097 2.187,1098 8.57,1099 23.186,1100 3.723,1101 14.13,1102 17.942,1103 5.549,1104 28.133,1105 13.591,1106 1.798,1107 6.532,1108 25.013,1109 2.962,1110 15.203,1111 19.373,1112 5.929,1113 30.379,1114 14.621,1115 1.78,1116 5.226,1117 26.842,1118 2.779,1119 16.32,1120 20.856,1121 6.436,1122 32.664,1123 15.697,1124 1.532,1125 4.529,1126 28.675,1127 2.48,1128 17.412,1129 22.31,1130 6.853,1131 34.925,1132 16.746,1133 6168,1134 10239,1135 18.493,1136 27.716,1137 41.221,1138 41.68,1139 41.214,1140 40.62,1141 40.612,1142 51.67,1143 9.965,1144 116.763,1145 38.67,1146 5.471,1147 5.741,1148 6.25,1149 5.144,1150 5.091,1151 7.403,1152 2.748,1153 16.894,1154 4.952,1155 8.355,1156 1.527,1157 1.544,1158 1.526,1159 1.504,1160 1.504,1161 1.914,1162 0.369,1163 4.325,1164 1.432,1165 4.085,1166 4.104,1167 4.055,1168 3.949,1169 7.429,1170 3.97,1171 3.899,1172 3.946,1173 3.85,1174 3.712,1175 5.208,1176 3.739,1177 3.682,1178 3.736,1179 3.573,1180 3.465,1181 4.739,1182 3.482,1183 3.414,1184 3.45,1185 3.329,1186 3.248,1187 4.571,1188 3.264,1189 3.166,1190 3.253,1191 3.002,1192 2.946,1193 4.394,1194 2.945,1195 3.111,1196 3.206,1197 2.952,1198 2.941,1199 3.972,1200 2.91,1201 3.023,1202 3.066,1203 2.866,1204 2.823,1205 3.95,1206 2.835,1207 2.893,1208 2.949,1209 2.775,1210 2.759,1211 3.744,1212 2.754,1213 0.166,1214 0.139,1215 0.239,1216 0.15,1217 0.114,1218 4.471,1219 0.163,1220 3.741,1221 0.059,1222 6.448,1223 0.369,1224 4.041,1225 0.109,1226 3.091,1227 4.403,1228 1.58,1229 9.964,1230 2.952,1231 1.893,1232 1.871,1233 1.993,1234 2.035,1235 1.21,1236 2.011,1237 1.816,1238 1.77,1239 1.954,1240 1.988,1241 1.067,1242 1.989,1243 1.627,1244 1.573,1245 1.819,1246 1.873,1247 0.994,1248 1.859,1249 1.385,1250 1.355,1251 1.572,1252 1.629,1253 0.825,1254 1.599,1255 1.153,1256 1.064,1257 1.513,1258 1.411,1259 0.694,1260 1.437,1261 1.151,1262 1.059,1263 1.465,1264 1.376,1265 0.542,1266 1.429,1267 0.931,1268 0.878,1269 1.174,1270 1.153,1271 0.217,1272 1.152,1273 0.9,1274 0.867,1275 1.063,1276 1.091,1277 0.193,1278 1.084,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.727,1285 8.464,1286 6.823,1287 10.117,1289 1.719,1295 3.151,1297 5.357,1300 3.61,1305 26.918,1306 69.177,1307 154.762,1308 189.722,1309 197.722,1310 199.722,1311 199.722,1312 33.455,1313 7.335,1314 73.39,1315 73.39,1316 23,1317 12.44,1318 3.807,1319 3.17,1320 33.796,1321 80,1322 76,1323 0.203,1324 162.941,1325 283.31,1326 389.336,1327 14905,1329 16.518,1330 0.688,1331 0.56,1332 16.518,1333 13.436,1334 11.704,1335 0.433,1336 0.294,1337 7.777,1338 11.049,1339 7.628,1340 6.243,1341 11.704,1342 7.946,1343 10.604,1344 0.279,1345 0.152,1346 10.604,1347 5.779,1348 9.212,1349 0.181,1350 0.082,1351 9.212,1352 4.197,1353 7.636,1354 0.114,1355 0.042,1356 7.636,1357 2.817,1358 6.25,1359 0.074,1360 0.023,1361 6.25,1362 1.902,1363 0.314,1364 74.628,1365 0.233,1366 23.271,1367 0.57,1368 130,1369 419.787,1370 148.459,1371 391.519,1372 539.49,1373 370,1374 154,1375 402.165,1376 173.128,1377 398.521,1378 588.92,1379 376,1380 5}
{0 CHEMBL2064406,1 1.647,2 9.5,3 1.806,4 3.263,5 87.495,6 7.771,7 0.37,8 3.875,9 3.984,10 3.487,11 3.354,12 4.968,13 3.37,14 4.435,15 4.601,16 3.86,17 3.729,18 5.538,19 3.733,20 4.624,21 4.822,22 3.827,23 3.822,24 5.667,25 3.796,26 4.607,27 4.828,28 3.756,29 3.792,30 5.662,31 3.722,32 4.544,33 4.762,34 3.622,35 3.663,36 5.562,37 3.61,38 4.436,39 4.632,40 3.608,41 3.578,42 5.6,43 3.534,44 4.428,45 4.669,46 3.521,47 3.457,48 5.528,49 3.421,50 4.252,51 4.483,52 3.314,53 3.346,54 5.263,55 3.315,56 0.069,57 0.647,58 8.149,59 3.584,60 5.299,61 4.536,62 0.382,63 1.026,64 16.993,65 5.903,66 25.404,67 7.763,68 0.523,69 1.177,70 22.106,71 6.577,72 36.552,73 8.922,74 0.51,75 1.146,76 21.77,77 7.438,78 39.39,79 10.528,80 0.452,81 1.017,82 21.197,83 6.523,84 37.21,85 9.027,86 0.493,87 0.916,88 18.455,89 6.079,90 49.371,91 8.239,92 0.508,93 0.869,94 19.985,95 5.507,96 48.687,97 8.03,98 0.415,99 0.738,100 16.537,101 4.381,102 30.636,103 6.006,104 5,105 38,106 0.288,107 0.672,108 0.81,109 0.83,110 0.83,111 0.83,112 3.229,113 0.885,114 -3.44,115 -3.42,116 -3.27,119 40.5,120 1,121 1,125 4,135 1,139 1,142 3,143 1,146 1,152 1,158 2,161 1,172 4,174 2,175 8,178 2,180 2,183 3,186 1,187 5,195 2,198 4,199 5,202 3,207 4,211 1,212 1,220 3,223 4,224 4,229 2,236 1,237 4,240 1,242 3,250 4,258 2,262 2,263 6,271 3,275 782,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.667,282 20.166,283 9.741,284 16.804,285 13.393,286 13.393,287 13.393,288 13.393,289 13.393,290 10.658,291 23.648,292 4.702,293 14.04,294 3.745,295 1.544,296 0.75,297 0.637,298 0.637,299 0.637,300 3.929,303 1,304 1,305 1,306 505,307 2.236,310 47.545,311 210.945,314 94.357,318 1.5,319 24.959,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 228,332 4.553,333 3.582,334 6.511,335 4.073,336 3.094,337 4.51,338 1.528,339 10.221,340 3.03,341 4.256,342 3.2,343 6.202,344 3.878,345 2.939,346 3.633,347 1.005,348 9.327,349 2.764,350 3.735,351 3.115,352 5.56,353 3.454,354 2.507,355 3.074,356 0.864,357 7.547,358 2.373,359 3.542,360 2.906,361 5.211,362 3.231,363 2.242,364 2.721,365 0.86,366 6.44,367 2.204,368 3.387,369 2.403,370 4.935,371 2.94,372 1.94,373 2.591,374 0.367,375 5.551,376 1.931,377 3.197,378 2.257,379 4.661,380 2.706,381 1.747,382 2.447,383 0.052,384 4.947,385 1.673,386 2.903,387 1.929,388 4.342,389 2.611,390 1.69,391 2.01,393 4.212,394 1.543,395 2.838,396 1.536,397 4.049,398 2.359,399 1.374,400 1.868,402 3.421,403 1.351,404 2.213,405 1.413,406 3.491,407 1.952,408 1.068,409 1.154,411 2.607,412 0.946,413 2.066,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 2,423 0.735,424 3.247,425 1.589,426 0.623,427 0.88,428 1.588,429 0.6,430 1.323,431 0.72,432 2.961,433 0.932,434 -0.044,435 -0.051,436 -0.126,437 -0.042,438 1.129,439 0.335,440 2.56,441 0.657,442 -0.341,443 -0.439,445 -0.818,446 -0.338,447 0.929,448 -0.139,449 2.37,450 0.608,451 -0.393,452 -0.502,454 -1.007,455 -0.38,456 0.617,457 -0.208,458 2.272,459 0.386,460 -0.577,461 -0.708,463 -1.39,464 -0.564,465 11.1,466 0.463,467 0.571,468 0.024,469 29.5,470 1.229,471 12.5,472 0.521,473 17,474 0.708,475 18.914,476 0.788,477 26.1,478 0.621,479 20.703,480 0.863,481 6.063,482 0.253,483 5.624,484 0.234,485 0.075,487 0.351,493 0.832,494 1.513,495 0.717,496 1.214,497 0.611,498 0.981,499 0.993,500 1.116,501 0.828,502 0.971,503 0.628,504 0.883,505 1.328,506 1.031,507 1.118,508 0.881,509 1.106,510 0.93,511 0.601,512 0.949,513 0.949,514 1.072,515 0.661,516 1.08,517 1.182,518 1.068,519 1.069,520 1.011,521 1.229,522 1.013,523 0.976,524 1.125,525 1.018,526 1.131,527 1.503,528 1.1,529 1.057,530 1.002,531 0.857,532 0.836,533 1.429,534 0.802,535 1.551,536 0.677,537 1.121,538 0.634,539 1.083,540 0.737,541 5,542 0.052,543 2,544 1.882,545 1.103,546 0.719,547 0.38,548 0.251,549 0.214,550 0.163,551 6740,552 18001,553 2.161,554 42.9,555 3,556 12,559 1,560 2,564 1.669,565 2.057,566 3.257,567 -0.26,568 1,569 1,571 1,573 69.177,574 1.647,575 3.848,576 4.642,577 4.755,578 4.755,579 4.755,580 2.705,581 4.168,582 4.56,583 3.407,584 940.224,585 7.865,586 11003.3,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.185,595 0.004,596 0.053,597 0.052,598 0.034,599 0.026,600 0.014,601 0.01,602 0.01,603 0.009,604 0.397,605 0.5,606 1,607 0.49,608 113.795,609 -0.06,610 -0.311,611 0.073,612 -0.148,613 -0.035,614 -0.031,615 0.029,616 -0.016,617 0.084,618 0.012,619 0.084,620 0.045,621 -0.246,622 0.027,623 -0.159,624 0.058,625 -0.168,626 -0.012,627 0.205,628 0.081,629 -0.007,630 -0.1,631 0.117,632 -0.105,633 -0.137,634 -0.093,635 -0.081,636 -0.055,637 -0.139,638 -0.055,639 0.124,640 -0.142,641 -0.044,642 -0.158,643 0.048,644 -0.146,645 0.058,646 -0.073,647 0.188,648 0.087,649 0.025,650 0.156,651 -0.339,652 0.306,653 -0.088,654 0.272,655 -0.181,656 0.184,657 1.839,658 4.966,659 0.875,660 18.965,661 1.014,662 1.132,663 2.206,664 4.867,665 0.66,666 3.332,667 3.664,668 3.932,669 4.234,670 4.431,671 4.477,672 4.585,673 4.718,674 4.771,675 4.836,676 5.834,677 0.641,678 326.39,679 3.332,680 4.875,681 5.727,682 6.611,683 7.477,684 8.365,685 9.237,686 10.127,687 11.002,688 11.892,689 9.5,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,731 42,733 13,734 1,735 27,737 45,738 17,739 7,740 3,741 3,742 4,746 4,747 5,752 1,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 7,783 1,784 7,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 1,856 1,859 1,870 7.1,873 1,874 1,875 1,877 11.667,878 7.933,879 5.167,880 2.547,881 2.717,882 1.368,883 1.004,884 4.085,885 10.101,886 3.584,887 4.178,888 4.75,889 5.365,890 5.817,891 6.123,892 6.456,893 6.869,894 6.986,895 7.294,896 1,897 36,898 8.884,900 3.818,901 7.736,902 16.981,904 14.002,905 2.236,906 53.667,910 200.109,911 87.207,912 54.706,914 45.652,917 87.207,918 245.761,919 54.706,920 8.825,921 33.941,922 37.905,923 64.983,924 37.075,925 4.836,926 200.109,928 200.109,929 141.913,930 45.652,933 200.109,934 34.652,935 11,937 69.841,938 45.811,939 26.262,941 200.109,942 100.358,943 87.207,946 200.109,947 40.477,948 49.855,949 18.011,950 79.223,951 200.109,952 100.358,953 87.207,955 0.582,956 0.336,957 0.191,958 0.104,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.694,966 199.734,967 0.095,968 21,969 104.039,974 15.364,975 6.381,976 3.237,977 1.593,978 100.358,979 5.818,980 4.517,982 5.771,984 1.604,986 18.011,987 387.674,988 35,993 11.966,995 1.519,996 4.56,997 1.048,999 42.574,1000 47.528,1001 0.305,1002 0.714,1003 0.861,1004 0.882,1005 0.882,1006 0.882,1007 4.832,1008 1.374,1009 5.707,1010 4.212,1011 4.344,1012 4.864,1013 2.316,1014 6.506,1015 4.26,1016 6.035,1017 1.068,1018 7.251,1019 3.421,1020 3.892,1021 4.705,1022 1.048,1023 7.322,1024 3.793,1025 7.345,1026 1,1027 8.89,1028 2.607,1029 5.922,1030 7.065,1031 2.547,1032 10.436,1033 5.762,1034 8.689,1035 0.623,1036 10.587,1037 2.136,1038 6.275,1039 7.759,1040 1.926,1041 12.088,1042 6.097,1043 10.065,1044 -0.044,1045 12.32,1046 1.588,1047 7.775,1048 9.606,1049 3.017,1050 14.694,1051 7.545,1052 11.464,1053 -0.341,1054 14.079,1055 -0.126,1056 8.52,1057 10.723,1058 2.824,1059 16.71,1060 8.269,1061 12.883,1062 -0.393,1063 15.858,1064 -0.818,1065 9.793,1066 12.359,1067 3.646,1068 19.127,1069 9.499,1070 3.094,1071 -0.577,1072 17.651,1073 -1.007,1074 10.73,1075 13.684,1076 3.721,1077 21.304,1078 10.413,1079 2.939,1080 10.221,1081 19.456,1082 -1.39,1083 11.905,1084 15.235,1085 4.375,1086 23.648,1087 11.553,1088 2.507,1089 9.327,1090 21.271,1091 4.51,1092 12.934,1093 16.656,1094 4.604,1095 25.896,1096 12.558,1097 2.242,1098 7.547,1099 23.094,1100 3.633,1101 14.068,1102 18.174,1103 5.16,1104 28.214,1105 13.663,1106 1.94,1107 6.44,1108 24.923,1109 3.074,1110 15.14,1111 19.639,1112 5.476,1113 30.494,1114 14.712,1115 1.747,1116 5.551,1117 26.757,1118 2.721,1119 16.26,1120 21.146,1121 5.975,1122 32.804,1123 15.806,1124 1.69,1125 4.947,1126 28.595,1127 2.591,1128 17.353,1129 22.632,1130 6.339,1131 35.099,1132 16.877,1133 6300,1134 10431,1135 18.493,1136 27.716,1137 40.911,1138 41.693,1139 41.277,1140 40.381,1141 40.452,1142 51.776,1143 9.351,1144 115.992,1145 38.696,1146 5.553,1147 5.582,1148 6.313,1149 5.176,1150 5.094,1151 7.51,1152 2.695,1153 16.957,1154 5.03,1155 8.666,1156 1.515,1157 1.544,1158 1.529,1159 1.496,1160 1.498,1161 1.918,1162 0.346,1163 4.296,1164 1.433,1165 4.097,1166 4.114,1167 4.068,1168 3.971,1169 7.43,1170 3.989,1171 3.888,1172 3.937,1173 3.835,1174 3.699,1175 5.201,1176 3.726,1177 3.665,1178 3.717,1179 3.559,1180 3.454,1181 4.752,1182 3.471,1183 3.437,1184 3.471,1185 3.354,1186 3.259,1187 4.578,1188 3.278,1189 3.177,1190 3.253,1191 3.01,1192 3.03,1193 4.402,1194 3.012,1195 3.111,1196 3.206,1197 2.942,1198 2.941,1199 4.015,1200 2.91,1201 3.032,1202 3.083,1203 2.87,1204 2.861,1205 3.894,1206 2.873,1207 2.944,1208 2.99,1209 2.866,1210 2.594,1211 3.601,1212 2.659,1213 0.169,1214 0.133,1215 0.241,1216 0.151,1217 0.115,1218 4.553,1219 0.167,1220 3.582,1221 0.057,1222 6.511,1223 0.379,1224 4.073,1225 0.112,1226 3.094,1227 4.51,1228 1.528,1229 10.221,1230 3.03,1231 1.921,1232 1.9,1233 2.022,1234 2.026,1235 1.209,1236 2.014,1237 1.804,1238 1.757,1239 1.949,1240 2.011,1241 1.143,1242 2.003,1243 1.612,1244 1.561,1245 1.786,1246 1.855,1247 0.956,1248 1.837,1249 1.384,1250 1.357,1251 1.564,1252 1.623,1253 0.825,1254 1.59,1255 1.19,1256 1.115,1257 1.513,1258 1.401,1259 0.625,1260 1.445,1261 1.153,1262 1.064,1263 1.497,1264 1.376,1265 0.594,1266 1.429,1267 0.903,1268 0.868,1269 1.075,1270 1.163,1271 0.21,1272 1.132,1273 0.803,1274 0.736,1275 1.064,1276 1.096,1277 0.137,1278 1.085,1279 4.007,1281 5.333,1282 2.398,1283 6.849,1284 4.727,1285 8.453,1286 6.843,1287 10.1,1289 1.994,1295 3.111,1296 2.77,1297 5.342,1300 2.054,1305 26.918,1306 69.177,1307 161.617,1308 194.968,1309 199.722,1310 199.722,1311 199.722,1312 33.184,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.424,1318 3.807,1319 3.17,1320 33.882,1321 84,1322 76,1323 0.197,1324 162.941,1325 283.31,1326 389.336,1327 16110,1329 16.518,1330 0.688,1331 0.559,1332 16.518,1333 13.411,1334 11.687,1335 0.433,1336 0.295,1337 7.812,1338 11.068,1339 7.656,1340 6.269,1341 11.687,1342 7.969,1343 10.742,1344 0.283,1345 0.154,1346 10.742,1347 5.856,1348 8.872,1349 0.177,1350 0.082,1351 8.872,1352 4.096,1353 7.871,1354 0.116,1355 0.042,1356 7.871,1357 2.883,1358 6.196,1359 0.075,1360 0.023,1361 6.196,1362 1.89,1363 0.307,1364 74.314,1365 0.233,1366 23.358,1367 0.544,1368 130,1369 416.475,1370 148.098,1371 389.857,1372 536.46,1373 368,1374 153,1375 399.25,1376 170.963,1377 396.14,1378 584.4,1379 374,1380 5}
{0 CHEMBL2064407,1 1.647,2 10.083,3 1.806,4 3.263,5 87.495,6 7.771,7 0.37,8 3.875,9 3.984,10 3.487,11 3.354,12 4.967,13 3.37,14 4.435,15 4.601,16 3.86,17 3.729,18 5.542,19 3.733,20 4.624,21 4.822,22 3.805,23 3.818,24 5.666,25 3.787,26 4.6,27 4.827,28 3.724,29 3.774,30 5.629,31 3.695,32 4.508,33 4.733,34 3.645,35 3.639,36 5.546,37 3.599,38 4.447,39 4.637,40 3.612,41 3.567,42 5.624,43 3.533,44 4.362,45 4.582,46 3.488,47 3.44,48 5.492,49 3.408,50 4.273,51 4.518,52 3.312,53 3.342,54 5.252,55 3.295,56 0.069,57 0.647,58 8.149,59 3.584,60 5.234,61 4.536,62 0.382,63 1.026,64 16.993,65 5.903,66 25.448,67 7.763,68 0.527,69 1.172,70 22.097,71 6.592,72 37.534,73 8.918,74 0.505,75 1.124,76 21.953,77 7.612,78 38.239,79 10.829,80 0.399,81 1.006,82 20.295,83 6.091,84 35.465,85 8.675,86 0.554,87 0.908,88 18.898,89 5.983,90 51.997,91 7.909,92 0.485,93 0.832,94 17.991,95 5.089,96 45.978,97 7.159,98 0.374,99 0.729,100 17.328,101 5.021,102 30.048,103 7.019,104 5,105 38,106 0.288,107 0.672,108 0.81,109 0.83,110 0.83,111 0.83,112 3.229,113 0.885,114 -3.44,115 -3.42,116 -3.27,119 40.5,120 1,121 1,125 4,135 1,139 1,142 3,143 1,146 1,152 1,158 2,161 1,172 4,174 2,175 8,178 2,180 2,183 4,186 1,187 4,195 2,198 4,199 5,202 3,207 3,211 1,212 2,220 2,223 4,224 4,229 2,232 1,236 1,237 3,240 1,242 2,250 5,255 1,258 2,262 2,263 4,271 2,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 20.166,283 9.716,284 16.755,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 23.648,292 4.729,293 14.059,294 3.745,295 1.544,296 0.75,297 0.637,298 0.637,299 0.637,300 3.929,303 1,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 24.815,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 242,332 4.49,333 3.581,334 6.274,335 4.006,336 3.031,337 4.434,338 1.528,339 9.6,340 2.959,341 4.253,342 3.17,343 6.199,344 3.872,345 2.929,346 3.632,347 1.005,348 9.312,349 2.76,350 3.746,351 3.084,352 5.532,353 3.449,354 2.5,355 3.139,356 0.864,357 7.474,358 2.374,359 3.581,360 2.864,361 5.131,362 3.264,363 2.277,364 2.762,365 0.86,366 6.345,367 2.232,368 3.424,369 2.451,370 4.917,371 3.022,372 2.02,373 2.588,374 0.367,375 5.667,376 2.014,377 3.153,378 2.293,379 4.659,380 2.69,381 1.744,382 2.372,383 0.052,384 4.943,385 1.649,386 3.004,387 2.01,388 4.396,389 2.594,390 1.664,391 2.228,393 4.268,394 1.532,395 2.885,396 1.534,397 4.341,398 2.489,399 1.51,400 1.874,402 4.202,403 1.475,404 2.213,405 1.509,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.721,424 3.159,425 1.455,426 0.473,427 0.689,428 1.187,429 0.464,430 1.318,431 0.543,432 2.964,433 0.919,434 -0.046,435 -0.053,436 -0.137,437 -0.044,438 1.083,439 0.336,440 2.56,441 0.629,442 -0.386,443 -0.499,445 -0.989,446 -0.377,447 0.873,448 -0.185,449 2.378,450 0.547,451 -0.435,452 -0.545,454 -1.12,455 -0.426,456 0.629,457 -0.21,458 2.272,459 0.389,460 -0.577,461 -0.71,463 -1.393,464 -0.565,465 11.1,466 0.463,467 0.588,468 0.025,469 29.5,470 1.229,471 12.5,472 0.521,473 17,474 0.708,475 18.766,476 0.782,477 26.1,478 0.621,479 20.669,480 0.861,481 6.047,482 0.252,483 5.623,484 0.234,485 0.075,487 0.351,493 0.832,494 1.513,495 0.717,496 1.214,497 0.614,498 0.981,499 0.993,500 1.116,501 0.828,502 0.971,503 0.617,504 0.883,505 1.34,506 1.017,507 1.159,508 0.899,509 1.13,510 0.962,511 0.548,512 0.972,513 0.901,514 1.071,515 0.625,516 1.069,517 1.046,518 1.056,519 0.97,520 0.974,521 1.202,522 0.942,523 1.212,524 1.083,525 1.092,526 1.076,527 1.584,528 1.075,529 1.17,530 1.023,531 1.01,532 0.921,533 1.591,534 0.92,535 1.287,536 0.811,537 0.9,538 0.72,539 0.868,540 0.725,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 18137,553 2.161,554 42.9,555 3,556 12,559 1,560 2,564 1.668,565 2.057,566 3.33,567 -0.26,568 1,569 1,571 1,573 69.177,574 1.647,575 3.848,576 4.642,577 4.755,578 4.755,579 4.755,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.06,610 -0.311,611 0.073,612 -0.148,613 -0.038,614 -0.031,615 0.029,616 -0.016,617 0.084,618 0.012,619 0.095,620 0.045,621 -0.258,622 0.042,623 -0.201,624 0.039,625 -0.19,626 -0.046,627 0.239,628 0.028,629 0.05,630 -0.088,631 0.14,632 -0.075,633 -0.086,634 -0.051,635 0.011,636 -0.031,637 -0.104,638 0.013,639 0.042,640 -0.109,641 -0.098,642 -0.115,643 0.013,644 -0.141,645 -0.006,646 -0.05,647 0.007,648 0.004,649 -0.057,650 0.014,651 -0.172,652 0.089,653 0.145,654 0.231,655 -0.014,656 0.256,657 1.839,658 4.956,659 0.875,660 19.417,661 1.014,662 1.132,663 2.206,664 4.867,665 0.66,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.641,678 326.39,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 9.5,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,731 42,733 13,734 1,735 27,737 45,738 17,739 7,740 3,741 3,742 4,746 4,747 5,752 1,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 7,783 1,784 7,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 1,856 1,859 1,870 7.1,873 1,874 1,875 1,877 11.667,878 7.933,879 5.139,880 2.54,881 2.699,882 1.366,883 1.004,884 4.085,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.883,900 3.817,901 7.736,902 16.981,904 13.997,905 2.236,906 53.667,910 200.109,911 87.207,912 54.706,914 45.652,917 87.207,918 245.761,919 54.706,920 8.825,921 33.941,922 37.905,923 64.983,924 37.075,925 4.836,926 200.109,928 200.109,929 141.913,930 45.652,933 200.109,934 34.652,935 11,937 69.841,938 45.811,939 26.262,941 200.109,942 100.358,943 87.207,946 200.109,947 40.477,948 49.855,949 18.011,950 79.223,951 200.109,952 100.358,953 87.207,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.364,975 6.381,976 3.377,977 1.555,978 100.358,979 5.862,980 4.478,982 5.745,984 1.668,986 18.011,987 387.674,988 35,993 11.956,995 1.518,996 4.555,997 1.046,999 42.574,1000 47.528,1001 0.305,1002 0.714,1003 0.861,1004 0.882,1005 0.882,1006 0.882,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.26,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.793,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.75,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 6.056,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.502,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.187,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.412,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.288,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.416,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.388,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.475,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.495,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.567,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.611,1133 6373,1134 10532,1135 18.493,1136 27.716,1137 40.915,1138 41.623,1139 41.066,1140 40.38,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 38.681,1146 5.49,1147 5.581,1148 6.076,1149 5.109,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.959,1155 8.805,1156 1.515,1157 1.542,1158 1.521,1159 1.496,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.433,1165 4.093,1166 4.111,1167 4.063,1168 3.967,1169 7.43,1170 3.985,1171 3.888,1172 3.937,1173 3.835,1174 3.699,1175 5.204,1176 3.726,1177 3.667,1178 3.719,1179 3.561,1180 3.459,1181 4.752,1182 3.475,1183 3.477,1184 3.514,1185 3.391,1186 3.297,1187 4.578,1188 3.317,1189 3.148,1190 3.21,1191 3.023,1192 2.997,1193 4.408,1194 2.99,1195 3.111,1196 3.206,1197 2.874,1198 2.941,1199 3.966,1200 2.91,1201 2.946,1202 3.015,1203 2.866,1204 2.797,1205 3.894,1206 2.793,1207 2.938,1208 2.985,1209 2.815,1210 2.595,1211 3.628,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.148,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 4.006,1225 0.11,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.959,1231 1.92,1232 1.899,1233 2.023,1234 2.027,1235 1.209,1236 2.014,1237 1.804,1238 1.757,1239 1.949,1240 2.01,1241 1.138,1242 2.003,1243 1.611,1244 1.56,1245 1.785,1246 1.855,1247 0.956,1248 1.837,1249 1.375,1250 1.349,1251 1.533,1252 1.616,1253 0.825,1254 1.579,1255 1.214,1256 1.149,1257 1.513,1258 1.428,1259 0.619,1260 1.462,1261 1.153,1262 1.064,1263 1.512,1264 1.376,1265 0.597,1266 1.429,1267 0.943,1268 0.887,1269 1.161,1270 1.173,1271 0.218,1272 1.162,1273 0.779,1274 0.721,1275 1.069,1276 1.131,1277 0.199,1278 1.107,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1289 2.013,1295 3.111,1296 2.766,1297 5.34,1300 2.053,1305 26.918,1306 69.177,1307 161.617,1308 194.968,1309 199.722,1310 199.722,1311 199.722,1312 32.891,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 162.941,1325 283.31,1326 389.336,1327 16112,1329 16.518,1330 0.688,1331 0.559,1332 16.518,1333 13.411,1334 11.67,1335 0.432,1336 0.295,1337 7.806,1338 11.049,1339 7.646,1340 6.265,1341 11.67,1342 7.963,1343 10.848,1344 0.285,1345 0.155,1346 10.848,1347 5.905,1348 8.734,1349 0.178,1350 0.082,1351 8.734,1352 4.018,1353 7.762,1354 0.116,1355 0.042,1356 7.762,1357 2.836,1358 6.233,1359 0.075,1360 0.023,1361 6.233,1362 1.895,1363 0.304,1364 74.213,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 416.475,1370 148.098,1371 390.108,1372 535.94,1373 368,1374 152,1375 398.25,1376 169.796,1377 395.524,1378 582.01,1379 373,1380 5}
{0 CHEMBL2064408,1 1.647,2 10.083,3 1.806,4 3.263,5 87.495,6 7.771,7 0.37,8 3.875,9 3.984,10 3.487,11 3.354,12 4.967,13 3.37,14 4.435,15 4.601,16 3.86,17 3.729,18 5.542,19 3.733,20 4.624,21 4.822,22 3.805,23 3.818,24 5.666,25 3.787,26 4.6,27 4.827,28 3.727,29 3.771,30 5.632,31 3.694,32 4.513,33 4.731,34 3.642,35 3.637,36 5.55,37 3.599,38 4.442,39 4.64,40 3.611,41 3.572,42 5.618,43 3.534,44 4.362,45 4.582,46 3.488,47 3.44,48 5.492,49 3.408,50 4.273,51 4.518,52 3.312,53 3.342,54 5.252,55 3.295,56 0.069,57 0.647,58 8.149,59 3.584,60 5.234,61 4.536,62 0.382,63 1.026,64 16.993,65 5.903,66 25.448,67 7.763,68 0.527,69 1.172,70 22.097,71 6.592,72 37.407,73 8.918,74 0.495,75 1.12,76 21.918,77 7.622,78 38.16,79 10.83,80 0.445,81 0.992,82 20.61,83 6.224,84 36.731,85 8.625,86 0.518,87 0.926,88 18.618,89 5.841,90 50.937,91 7.958,92 0.485,93 0.832,94 17.991,95 5.089,96 45.978,97 7.159,98 0.374,99 0.729,100 17.328,101 5.021,102 30.048,103 7.019,104 5,105 38,106 0.288,107 0.672,108 0.81,109 0.83,110 0.83,111 0.83,112 3.229,113 0.885,114 -3.44,115 -3.42,116 -3.27,119 40.5,120 1,121 1,125 4,135 1,139 1,142 3,143 1,146 1,152 1,158 2,161 1,172 4,174 2,175 8,178 2,180 2,183 4,186 1,187 4,195 2,198 4,199 5,202 3,207 3,211 1,212 2,220 2,223 4,224 4,229 2,232 1,236 1,237 3,240 1,242 2,250 5,255 1,258 2,262 2,263 4,271 2,275 792,276 16.342,277 16.342,278 16.342,279 16.342,280 16.342,281 14.635,282 20.166,283 9.716,284 16.755,285 13.409,286 13.409,287 13.409,288 13.409,289 13.409,290 10.679,291 23.648,292 4.729,293 14.06,294 3.745,295 1.544,296 0.75,297 0.637,298 0.637,299 0.637,300 3.929,303 1,304 1,305 1,306 536,307 2.236,310 48.361,311 212.136,314 94.824,318 1.431,319 24.815,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 242,332 4.49,333 3.581,334 6.274,335 4.006,336 3.031,337 4.434,338 1.528,339 9.6,340 2.961,341 4.253,342 3.17,343 6.199,344 3.872,345 2.929,346 3.632,347 1.005,348 9.312,349 2.76,350 3.746,351 3.084,352 5.532,353 3.449,354 2.5,355 3.139,356 0.864,357 7.474,358 2.373,359 3.581,360 2.864,361 5.131,362 3.262,363 2.277,364 2.762,365 0.86,366 6.345,367 2.229,368 3.424,369 2.451,370 4.917,371 3.019,372 2.02,373 2.588,374 0.367,375 5.667,376 2.01,377 3.153,378 2.293,379 4.659,380 2.692,381 1.744,382 2.372,383 0.052,384 4.943,385 1.655,386 3.004,387 2.01,388 4.396,389 2.598,390 1.664,391 2.228,393 4.268,394 1.538,395 2.885,396 1.534,397 4.341,398 2.491,399 1.51,400 1.874,402 4.202,403 1.475,404 2.213,405 1.509,406 3.491,407 1.952,408 1.069,409 1.154,411 2.608,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.947,423 0.721,424 3.159,425 1.445,426 0.473,427 0.689,428 1.187,429 0.459,430 1.318,431 0.543,432 2.964,433 0.928,434 -0.046,435 -0.053,436 -0.137,437 -0.044,438 1.083,439 0.336,440 2.56,441 0.63,442 -0.386,443 -0.499,445 -0.989,446 -0.377,447 0.873,448 -0.185,449 2.378,450 0.545,451 -0.435,452 -0.545,454 -1.12,455 -0.426,456 0.629,457 -0.21,458 2.272,459 0.386,460 -0.577,461 -0.71,463 -1.393,464 -0.563,465 11.1,466 0.463,467 0.588,468 0.025,469 29.5,470 1.229,471 12.5,472 0.521,473 17,474 0.708,475 18.772,476 0.782,477 26.1,478 0.621,479 20.663,480 0.861,481 6.047,482 0.252,483 5.623,484 0.234,485 0.075,487 0.351,493 0.832,494 1.513,495 0.717,496 1.214,497 0.614,498 0.981,499 0.993,500 1.116,501 0.828,502 0.971,503 0.617,504 0.883,505 1.34,506 1.017,507 1.159,508 0.899,509 1.131,510 0.962,511 0.539,512 0.958,513 0.895,514 1.084,515 0.619,516 1.072,517 1.205,518 1.062,519 1.003,520 0.948,521 1.24,522 0.932,523 1.049,524 1.093,525 1.064,526 1.088,527 1.548,528 1.081,529 1.17,530 1.023,531 1.01,532 0.921,533 1.591,534 0.92,535 1.287,536 0.811,537 0.9,538 0.72,539 0.868,540 0.725,541 5.5,542 0.064,543 1.778,544 1.854,545 0.978,546 0.855,547 0.314,548 0.313,549 0.182,550 0.155,551 6820,552 18135,553 2.161,554 42.9,555 3,556 12,559 1,560 2,564 1.668,565 2.057,566 3.33,567 -0.26,568 1,569 1,571 1,573 69.177,574 1.647,575 3.848,576 4.642,577 4.755,578 4.755,579 4.755,580 2.736,581 4.054,582 4.559,583 3.443,584 950.339,585 7.861,586 11130.6,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.204,595 0.005,596 0.047,597 0.053,598 0.032,599 0.029,600 0.012,601 0.013,602 0.009,603 0.009,604 0.411,605 0.5,606 1,607 0.49,608 114.066,609 -0.06,610 -0.311,611 0.073,612 -0.148,613 -0.038,614 -0.031,615 0.029,616 -0.016,617 0.084,618 0.012,619 0.095,620 0.045,621 -0.258,622 0.042,623 -0.201,624 0.039,625 -0.192,626 -0.046,627 0.248,628 0.042,629 0.056,630 -0.101,631 0.146,632 -0.078,633 -0.132,634 -0.084,635 -0.009,636 0.003,637 -0.12,638 0.021,639 0.081,640 -0.09,641 -0.084,642 -0.137,643 0.024,644 -0.146,645 -0.006,646 -0.05,647 0.007,648 0.004,649 -0.057,650 0.014,651 -0.172,652 0.089,653 0.145,654 0.231,655 -0.014,656 0.256,657 1.839,658 4.956,659 0.875,660 19.417,661 1.014,662 1.132,663 2.206,664 4.867,665 0.66,666 3.332,667 3.664,668 3.912,669 4.22,670 4.431,671 4.477,672 4.595,673 4.718,674 4.754,675 4.828,676 5.922,677 0.641,678 326.39,679 3.332,680 4.875,681 5.72,682 6.603,683 7.463,684 8.349,685 9.217,686 10.103,687 10.974,688 11.861,689 9.5,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,731 42,733 13,734 1,735 27,737 45,738 17,739 7,740 3,741 3,742 4,746 4,747 5,752 1,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 7,783 1,784 7,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 1,856 1,859 1,870 7.1,873 1,874 1,875 1,877 11.667,878 7.933,879 5.139,880 2.54,881 2.699,882 1.366,883 1.004,884 4.085,885 10.083,886 3.584,887 4.178,888 4.731,889 5.349,890 5.822,891 6.132,892 6.482,893 6.874,894 6.961,895 7.291,896 0.857,897 35,898 8.883,900 3.817,901 7.736,902 16.981,904 13.997,905 2.236,906 53.667,910 200.109,911 87.207,912 54.706,914 45.652,917 87.207,918 245.761,919 54.706,920 8.825,921 33.941,922 37.905,923 64.983,924 37.075,925 4.836,926 200.109,928 200.109,929 141.913,930 45.652,933 200.109,934 34.652,935 11,937 69.841,938 45.811,939 26.262,941 200.109,942 100.358,943 87.207,946 200.109,947 40.477,948 49.855,949 18.011,950 79.223,951 200.109,952 100.358,953 87.207,955 0.583,956 0.328,957 0.187,958 0.105,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.712,966 198.725,967 0.095,968 21,969 106.039,974 15.364,975 6.381,976 3.377,977 1.555,978 100.358,979 5.873,980 4.459,982 5.771,984 1.656,986 18.011,987 387.674,988 35,993 11.956,995 1.518,996 4.555,997 1.046,999 42.574,1000 47.528,1001 0.305,1002 0.714,1003 0.861,1004 0.882,1005 0.882,1006 0.882,1007 4.832,1008 1.51,1009 5.7,1010 4.268,1011 4.344,1012 4.864,1013 2.316,1014 6.485,1015 4.26,1016 6.035,1017 1.069,1018 7.233,1019 4.202,1020 3.892,1021 4.705,1022 1.048,1023 7.248,1024 3.793,1025 7.343,1026 1,1027 8.858,1028 2.608,1029 5.911,1030 7.053,1031 2.547,1032 10.346,1033 5.75,1034 8.68,1035 0.473,1036 10.535,1037 2.136,1038 6.236,1039 7.715,1040 1.926,1041 11.923,1042 6.056,1043 10.049,1044 -0.046,1045 12.247,1046 1.187,1047 7.737,1048 9.561,1049 3.017,1050 14.511,1051 7.503,1052 11.439,1053 -0.386,1054 13.982,1055 -0.137,1056 8.447,1057 10.637,1058 2.824,1059 16.455,1060 8.188,1061 12.846,1062 -0.435,1063 15.736,1064 -0.989,1065 9.718,1066 12.27,1067 3.646,1068 18.841,1069 9.413,1070 3.031,1071 -0.577,1072 17.503,1073 -1.12,1074 10.624,1075 13.558,1076 3.721,1077 20.954,1078 10.29,1079 2.929,1080 9.6,1081 19.282,1082 -1.393,1083 11.791,1084 15.099,1085 4.375,1086 23.257,1087 11.418,1088 2.5,1089 9.312,1090 21.069,1091 4.434,1092 12.793,1093 16.49,1094 4.604,1095 25.445,1096 12.391,1097 2.277,1098 7.474,1099 22.864,1100 3.632,1101 13.916,1102 17.994,1103 5.16,1104 27.714,1105 13.479,1106 2.02,1107 6.345,1108 24.664,1109 3.139,1110 14.965,1111 19.434,1112 5.476,1113 29.936,1114 14.499,1115 1.744,1116 5.667,1117 26.47,1118 2.762,1119 16.069,1120 20.925,1121 5.975,1122 32.193,1123 15.572,1124 1.664,1125 4.943,1126 28.279,1127 2.588,1128 17.142,1129 22.389,1130 6.339,1131 34.43,1132 16.617,1133 6373,1134 10531,1135 18.493,1136 27.716,1137 40.915,1138 41.623,1139 41.066,1140 40.367,1141 40.434,1142 51.744,1143 9.351,1144 115.482,1145 38.679,1146 5.49,1147 5.581,1148 6.076,1149 5.11,1150 5.031,1151 7.434,1152 2.695,1153 16.006,1154 4.961,1155 8.805,1156 1.515,1157 1.542,1158 1.521,1159 1.495,1160 1.498,1161 1.916,1162 0.346,1163 4.277,1164 1.433,1165 4.093,1166 4.111,1167 4.064,1168 3.967,1169 7.43,1170 3.985,1171 3.888,1172 3.937,1173 3.835,1174 3.699,1175 5.204,1176 3.726,1177 3.667,1178 3.719,1179 3.561,1180 3.459,1181 4.752,1182 3.475,1183 3.475,1184 3.514,1185 3.39,1186 3.298,1187 4.578,1188 3.317,1189 3.146,1190 3.21,1191 3.02,1192 2.999,1193 4.407,1194 2.99,1195 3.111,1196 3.206,1197 2.874,1198 2.941,1199 3.983,1200 2.91,1201 2.955,1202 3.011,1203 2.866,1204 2.788,1205 3.901,1206 2.79,1207 2.943,1208 2.983,1209 2.827,1210 2.595,1211 3.583,1212 2.659,1213 0.166,1214 0.133,1215 0.232,1216 0.148,1217 0.112,1218 4.49,1219 0.164,1220 3.581,1221 0.057,1222 6.274,1223 0.356,1224 4.006,1225 0.11,1226 3.031,1227 4.434,1228 1.528,1229 9.6,1230 2.961,1231 1.92,1232 1.899,1233 2.023,1234 2.027,1235 1.209,1236 2.014,1237 1.804,1238 1.757,1239 1.949,1240 2.01,1241 1.138,1242 2.003,1243 1.611,1244 1.56,1245 1.786,1246 1.855,1247 0.956,1248 1.837,1249 1.377,1250 1.348,1251 1.541,1252 1.613,1253 0.825,1254 1.578,1255 1.213,1256 1.149,1257 1.513,1258 1.43,1259 0.622,1260 1.463,1261 1.153,1262 1.064,1263 1.505,1264 1.376,1265 0.596,1266 1.429,1267 0.932,1268 0.893,1269 1.152,1270 1.179,1271 0.213,1272 1.164,1273 0.78,1274 0.721,1275 1.07,1276 1.138,1277 0.19,1278 1.108,1279 4.007,1281 5.333,1282 2.398,1283 6.843,1284 4.727,1285 8.437,1286 6.823,1287 10.075,1289 2.006,1295 3.111,1296 2.766,1297 5.34,1300 2.053,1305 26.918,1306 69.177,1307 161.617,1308 194.968,1309 199.722,1310 199.722,1311 199.722,1312 32.905,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.396,1318 3.807,1319 3.17,1320 33.904,1321 85,1322 80,1323 0.194,1324 162.941,1325 283.31,1326 389.336,1327 16112,1329 16.518,1330 0.688,1331 0.559,1332 16.518,1333 13.411,1334 11.67,1335 0.432,1336 0.295,1337 7.806,1338 11.049,1339 7.646,1340 6.265,1341 11.67,1342 7.963,1343 10.848,1344 0.285,1345 0.155,1346 10.848,1347 5.905,1348 8.734,1349 0.178,1350 0.082,1351 8.734,1352 4.019,1353 7.762,1354 0.116,1355 0.042,1356 7.762,1357 2.831,1358 6.233,1359 0.075,1360 0.023,1361 6.233,1362 1.898,1363 0.304,1364 74.213,1365 0.233,1366 23.422,1367 0.534,1368 130,1369 416.475,1370 148.098,1371 390.108,1372 535.94,1373 368,1374 152,1375 398.25,1376 169.796,1377 395.525,1378 582.02,1379 373,1380 5.01}
{0 CHEMBL2064409,1 1.647,2 9.5,3 1.806,4 3.263,5 87.495,6 7.771,7 0.37,8 3.875,9 3.984,10 3.487,11 3.354,12 4.968,13 3.37,14 4.435,15 4.601,16 3.86,17 3.729,18 5.537,19 3.733,20 4.624,21 4.822,22 3.831,23 3.819,24 5.669,25 3.795,26 4.612,27 4.825,28 3.753,29 3.79,30 5.666,31 3.722,32 4.539,33 4.765,34 3.621,35 3.668,36 5.557,37 3.611,38 4.436,39 4.632,40 3.608,41 3.578,42 5.6,43 3.534,44 4.428,45 4.669,46 3.521,47 3.457,48 5.528,49 3.421,50 4.252,51 4.483,52 3.314,53 3.346,54 5.263,55 3.315,56 0.069,57 0.647,58 8.149,59 3.584,60 5.299,61 4.536,62 0.382,63 1.026,64 16.993,65 5.903,66 25.277,67 7.763,68 0.513,69 1.172,70 22.072,71 6.587,72 36.473,73 8.923,74 0.556,75 1.132,76 22.085,77 7.571,78 40.656,79 10.478,80 0.416,81 1.035,82 20.917,83 6.38,84 36.151,85 9.076,86 0.493,87 0.916,88 18.455,89 6.079,90 49.371,91 8.239,92 0.508,93 0.869,94 19.985,95 5.507,96 48.687,97 8.03,98 0.415,99 0.738,100 16.537,101 4.381,102 30.636,103 6.006,104 5,105 38,106 0.288,107 0.672,108 0.81,109 0.83,110 0.83,111 0.83,112 3.229,113 0.885,114 -3.44,115 -3.42,116 -3.27,119 40.5,120 1,121 1,125 4,135 1,139 1,142 3,143 1,146 1,152 1,158 2,161 1,172 4,174 2,175 8,178 2,180 2,183 3,186 1,187 5,195 2,198 4,199 5,202 3,207 4,211 1,212 1,220 3,223 4,224 4,229 2,236 1,237 4,240 1,242 3,250 4,258 2,262 2,263 6,271 3,275 782,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.667,282 20.166,283 9.741,284 16.808,285 13.393,286 13.393,287 13.393,288 13.393,289 13.393,290 10.658,291 23.648,292 4.702,293 14.044,294 3.745,295 1.544,296 0.75,297 0.637,298 0.637,299 0.637,300 3.929,303 1,304 1,305 1,306 505,307 2.236,310 47.545,311 210.945,314 94.357,318 1.5,319 24.982,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 228,332 4.553,333 3.582,334 6.511,335 4.076,336 3.094,337 4.51,338 1.528,339 10.221,340 3.041,341 4.256,342 3.2,343 6.202,344 3.879,345 2.939,346 3.633,347 1.005,348 9.327,349 2.764,350 3.735,351 3.115,352 5.56,353 3.453,354 2.507,355 3.074,356 0.864,357 7.547,358 2.37,359 3.542,360 2.906,361 5.211,362 3.226,363 2.242,364 2.721,365 0.86,366 6.44,367 2.195,368 3.387,369 2.403,370 4.935,371 2.928,372 1.94,373 2.591,374 0.367,375 5.551,376 1.906,377 3.197,378 2.257,379 4.661,380 2.712,381 1.747,382 2.447,383 0.052,384 4.947,385 1.686,386 2.903,387 1.929,388 4.342,389 2.614,390 1.69,391 2.01,393 4.212,394 1.546,395 2.838,396 1.536,397 4.049,398 2.364,399 1.374,400 1.868,402 3.421,403 1.357,404 2.213,405 1.413,406 3.491,407 1.952,408 1.068,409 1.154,411 2.607,412 0.946,413 2.066,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 2,423 0.735,424 3.247,425 1.595,426 0.623,427 0.88,428 1.588,429 0.604,430 1.323,431 0.72,432 2.961,433 0.923,434 -0.044,435 -0.051,436 -0.126,437 -0.042,438 1.129,439 0.335,440 2.56,441 0.657,442 -0.341,443 -0.439,445 -0.818,446 -0.338,447 0.929,448 -0.139,449 2.37,450 0.61,451 -0.393,452 -0.502,454 -1.007,455 -0.38,456 0.617,457 -0.208,458 2.272,459 0.387,460 -0.577,461 -0.708,463 -1.39,464 -0.564,465 11.1,466 0.463,467 0.571,468 0.024,469 29.5,470 1.229,471 12.5,472 0.521,473 17,474 0.708,475 18.925,476 0.789,477 26.1,478 0.621,479 20.692,480 0.862,481 6.063,482 0.253,483 5.624,484 0.234,485 0.075,487 0.351,493 0.832,494 1.513,495 0.717,496 1.214,497 0.611,498 0.981,499 0.993,500 1.116,501 0.828,502 0.971,503 0.63,504 0.883,505 1.32,506 1.017,507 1.112,508 0.894,509 1.101,510 0.932,511 0.744,512 0.955,513 0.979,514 1.049,515 0.695,516 1.072,517 1.037,518 1.077,519 1.044,520 1.022,521 1.197,522 1.018,523 0.976,524 1.125,525 1.018,526 1.131,527 1.503,528 1.1,529 1.057,530 1.002,531 0.857,532 0.836,533 1.429,534 0.802,535 1.551,536 0.677,537 1.121,538 0.634,539 1.083,540 0.737,541 5,542 0.052,543 2,544 1.882,545 1.103,546 0.719,547 0.38,548 0.251,549 0.214,550 0.163,551 6740,552 17999,553 2.161,554 42.9,555 3,556 12,559 1,560 2,564 1.669,565 2.057,566 3.257,567 -0.26,568 1,569 1,571 1,573 69.177,574 1.647,575 3.848,576 4.642,577 4.755,578 4.755,579 4.755,580 2.705,581 4.168,582 4.56,583 3.407,584 940.224,585 7.865,586 11003.3,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.185,595 0.004,596 0.053,597 0.052,598 0.034,599 0.026,600 0.014,601 0.01,602 0.01,603 0.009,604 0.397,605 0.5,606 1,607 0.49,608 113.795,609 -0.06,610 -0.311,611 0.073,612 -0.148,613 -0.035,614 -0.031,615 0.029,616 -0.016,617 0.084,618 0.012,619 0.082,620 0.045,621 -0.237,622 0.041,623 -0.153,624 0.045,625 -0.162,626 -0.015,627 0.163,628 0.051,629 -0.025,630 -0.07,631 0.103,632 -0.098,633 -0.102,634 -0.076,635 -0.068,636 -0.074,637 -0.128,638 -0.059,639 0.124,640 -0.142,641 -0.044,642 -0.158,643 0.048,644 -0.146,645 0.058,646 -0.073,647 0.188,648 0.087,649 0.025,650 0.156,651 -0.339,652 0.306,653 -0.088,654 0.272,655 -0.181,656 0.184,657 1.839,658 4.966,659 0.875,660 18.965,661 1.014,662 1.132,663 2.206,664 4.867,665 0.66,666 3.332,667 3.664,668 3.932,669 4.234,670 4.431,671 4.477,672 4.585,673 4.718,674 4.771,675 4.836,676 5.834,677 0.641,678 326.39,679 3.332,680 4.875,681 5.727,682 6.611,683 7.477,684 8.365,685 9.237,686 10.127,687 11.002,688 11.892,689 9.5,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,731 42,733 13,734 1,735 27,737 45,738 17,739 7,740 3,741 3,742 4,746 4,747 5,752 1,758 1,761 11,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 7,783 1,784 7,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 1,856 1,859 1,870 7.1,873 1,874 1,875 1,877 11.667,878 7.933,879 5.167,880 2.547,881 2.717,882 1.368,883 1.004,884 4.085,885 10.101,886 3.584,887 4.178,888 4.75,889 5.365,890 5.817,891 6.123,892 6.456,893 6.869,894 6.986,895 7.294,896 1,897 36,898 8.884,900 3.818,901 7.736,902 16.981,904 14.002,905 2.236,906 53.667,910 200.109,911 87.207,912 54.706,914 45.652,917 87.207,918 245.761,919 54.706,920 8.825,921 33.941,922 37.905,923 64.983,924 37.075,925 4.836,926 200.109,928 200.109,929 141.913,930 45.652,933 200.109,934 34.652,935 11,937 69.841,938 45.811,939 26.262,941 200.109,942 100.358,943 87.207,946 200.109,947 40.477,948 49.855,949 18.011,950 79.223,951 200.109,952 100.358,953 87.207,955 0.582,956 0.336,957 0.191,958 0.104,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.694,966 199.734,967 0.095,968 21,969 104.039,974 15.364,975 6.381,976 3.237,977 1.593,978 100.358,979 5.843,980 4.478,982 5.821,984 1.58,986 18.011,987 387.674,988 35,993 11.966,995 1.519,996 4.56,997 1.048,999 42.574,1000 47.528,1001 0.305,1002 0.714,1003 0.861,1004 0.882,1005 0.882,1006 0.882,1007 4.832,1008 1.374,1009 5.707,1010 4.212,1011 4.344,1012 4.864,1013 2.316,1014 6.506,1015 4.26,1016 6.035,1017 1.068,1018 7.251,1019 3.421,1020 3.892,1021 4.705,1022 1.048,1023 7.322,1024 3.793,1025 7.345,1026 1,1027 8.89,1028 2.607,1029 5.922,1030 7.065,1031 2.547,1032 10.436,1033 5.763,1034 8.689,1035 0.623,1036 10.587,1037 2.136,1038 6.275,1039 7.759,1040 1.926,1041 12.088,1042 6.102,1043 10.065,1044 -0.044,1045 12.32,1046 1.588,1047 7.775,1048 9.606,1049 3.017,1050 14.694,1051 7.551,1052 11.464,1053 -0.341,1054 14.079,1055 -0.126,1056 8.52,1057 10.723,1058 2.824,1059 16.71,1060 8.279,1061 12.883,1062 -0.393,1063 15.858,1064 -0.818,1065 9.793,1066 12.359,1067 3.646,1068 19.127,1069 9.511,1070 3.094,1071 -0.577,1072 17.651,1073 -1.007,1074 10.73,1075 13.684,1076 3.721,1077 21.304,1078 10.431,1079 2.939,1080 10.221,1081 19.456,1082 -1.39,1083 11.905,1084 15.235,1085 4.375,1086 23.648,1087 11.573,1088 2.507,1089 9.327,1090 21.271,1091 4.51,1092 12.934,1093 16.656,1094 4.604,1095 25.896,1096 12.583,1097 2.242,1098 7.547,1099 23.094,1100 3.633,1101 14.068,1102 18.174,1103 5.16,1104 28.214,1105 13.691,1106 1.94,1107 6.44,1108 24.923,1109 3.074,1110 15.14,1111 19.639,1112 5.476,1113 30.494,1114 14.745,1115 1.747,1116 5.551,1117 26.757,1118 2.721,1119 16.26,1120 21.146,1121 5.975,1122 32.804,1123 15.842,1124 1.69,1125 4.947,1126 28.595,1127 2.591,1128 17.353,1129 22.632,1130 6.339,1131 35.099,1132 16.918,1133 6300,1134 10430,1135 18.493,1136 27.716,1137 40.911,1138 41.693,1139 41.277,1140 40.394,1141 40.452,1142 51.776,1143 9.351,1144 115.992,1145 38.699,1146 5.553,1147 5.582,1148 6.313,1149 5.18,1150 5.094,1151 7.51,1152 2.695,1153 16.957,1154 5.041,1155 8.666,1156 1.515,1157 1.544,1158 1.529,1159 1.496,1160 1.498,1161 1.918,1162 0.346,1163 4.296,1164 1.433,1165 4.097,1166 4.114,1167 4.068,1168 3.97,1169 7.43,1170 3.989,1171 3.888,1172 3.937,1173 3.835,1174 3.699,1175 5.2,1176 3.726,1177 3.665,1178 3.717,1179 3.559,1180 3.454,1181 4.752,1182 3.471,1183 3.435,1184 3.472,1185 3.352,1186 3.261,1187 4.578,1188 3.279,1189 3.176,1190 3.253,1191 3.005,1192 3.03,1193 4.4,1194 3.013,1195 3.111,1196 3.206,1197 2.95,1198 2.941,1199 4.027,1200 2.91,1201 3.036,1202 3.081,1203 2.87,1204 2.86,1205 3.896,1206 2.873,1207 2.944,1208 2.99,1209 2.866,1210 2.594,1211 3.607,1212 2.659,1213 0.169,1214 0.133,1215 0.241,1216 0.151,1217 0.115,1218 4.553,1219 0.167,1220 3.582,1221 0.057,1222 6.511,1223 0.379,1224 4.076,1225 0.113,1226 3.094,1227 4.51,1228 1.528,1229 10.221,1230 3.041,1231 1.92,1232 1.901,1233 2.021,1234 2.027,1235 1.209,1236 2.014,1237 1.804,1238 1.757,1239 1.949,1240 2.011,1241 1.141,1242 2.003,1243 1.612,1244 1.561,1245 1.786,1246 1.855,1247 0.957,1248 1.837,1249 1.386,1250 1.356,1251 1.567,1252 1.619,1253 0.825,1254 1.589,1255 1.189,1256 1.115,1257 1.513,1258 1.402,1259 0.629,1260 1.445,1261 1.153,1262 1.064,1263 1.494,1264 1.376,1265 0.594,1266 1.429,1267 0.902,1268 0.869,1269 1.08,1270 1.164,1271 0.21,1272 1.132,1273 0.801,1274 0.737,1275 1.066,1276 1.102,1277 0.143,1278 1.084,1279 4.007,1281 5.333,1282 2.398,1283 6.849,1284 4.727,1285 8.453,1286 6.843,1287 10.1,1289 1.983,1295 3.111,1296 2.77,1297 5.342,1300 2.054,1305 26.918,1306 69.177,1307 161.617,1308 194.968,1309 199.722,1310 199.722,1311 199.722,1312 33.236,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.424,1318 3.807,1319 3.17,1320 33.882,1321 84,1322 76,1323 0.197,1324 162.941,1325 283.31,1326 389.336,1327 16110,1329 16.518,1330 0.688,1331 0.559,1332 16.518,1333 13.411,1334 11.687,1335 0.433,1336 0.295,1337 7.812,1338 11.07,1339 7.655,1340 6.27,1341 11.687,1342 7.969,1343 10.742,1344 0.283,1345 0.154,1346 10.742,1347 5.857,1348 8.872,1349 0.177,1350 0.082,1351 8.872,1352 4.087,1353 7.871,1354 0.116,1355 0.042,1356 7.871,1357 2.884,1358 6.196,1359 0.075,1360 0.023,1361 6.196,1362 1.889,1363 0.307,1364 74.314,1365 0.233,1366 23.358,1367 0.544,1368 130,1369 416.475,1370 148.098,1371 389.89,1372 536.48,1373 368,1374 153,1375 399.25,1376 171.129,1377 396.228,1378 584.6,1379 374,1380 5.146}
{0 CHEMBL2064410,1 1.815,2 9.5,3 2.069,4 4.279,5 90.077,6 10.032,7 0.37,8 3.818,9 3.916,10 3.64,11 3.339,12 4.934,13 3.352,14 4.372,15 4.518,16 4.069,17 3.727,18 5.517,19 3.723,20 4.575,21 4.764,22 4.156,23 3.82,24 5.648,25 3.78,26 4.492,27 4.69,28 4.115,29 3.761,30 5.602,31 3.684,32 4.41,33 4.616,34 3.754,35 3.604,36 5.472,37 3.555,38 4.375,39 4.553,40 3.766,41 3.57,42 5.582,43 3.517,44 4.33,45 4.547,46 3.844,47 3.422,48 5.5,49 3.396,50 4.161,51 4.373,52 3.656,53 3.357,54 5.192,55 3.295,56 0.113,57 0.599,58 4.165,59 3.325,60 6.791,61 3.645,62 0.431,63 0.966,64 11.967,65 5.801,66 25.122,67 6.403,68 0.646,69 1.105,70 24.781,71 7.079,72 42.102,73 7.704,74 0.564,75 1.025,76 23.755,77 7.562,78 38.581,79 9.084,80 0.461,81 0.926,82 20.246,83 6.346,84 36.676,85 7.529,86 0.562,87 0.867,88 22.287,89 6.485,90 52.053,91 7.323,92 0.584,93 0.807,94 20.191,95 5.42,96 51.545,97 6.661,98 0.443,99 0.662,100 20.361,101 5.333,102 30.111,103 5.792,104 5,105 38,106 0.322,107 0.709,108 0.815,109 0.837,110 0.837,111 0.837,112 3.229,113 0.939,114 -3.82,115 -3.78,116 -3.59,117 1,119 41,121 1,125 4,135 1,139 1,142 3,144 1,146 1,152 1,158 2,161 1,172 2,174 2,175 7,178 2,180 2,183 2,186 1,187 4,195 1,198 4,199 5,202 3,207 3,211 1,212 1,220 3,223 4,224 3,229 1,236 1,237 4,240 1,242 3,250 2,258 1,262 2,263 6,271 3,275 782,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.667,282 19.384,283 9.741,284 16.939,285 13.393,286 13.393,287 13.393,288 13.393,289 13.393,290 10.658,291 22.853,292 4.702,293 14.327,294 3.471,295 1.281,296 0.686,297 0.564,298 0.564,299 0.564,300 3.929,304 1,305 1,306 505,307 2.236,310 47.545,311 210.945,314 94.357,318 1.5,319 26.132,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.75,331 228,332 4.553,333 3.582,334 6.511,335 4.05,336 3.094,337 4.51,338 1.528,339 10.221,340 2.951,341 4.256,342 3.263,343 6.202,344 3.876,345 2.939,346 3.633,347 1.005,348 9.327,349 2.758,350 3.735,351 3.133,352 5.56,353 3.444,354 2.507,355 3.074,356 0.864,357 7.547,358 2.341,359 3.542,360 2.947,361 5.211,362 3.204,363 2.242,364 2.721,365 0.86,366 6.44,367 2.149,368 3.387,369 2.513,370 4.935,371 2.885,372 1.94,373 2.591,374 0.367,375 5.551,376 1.77,377 3.197,378 2.291,379 4.661,380 2.693,381 1.747,382 2.447,383 0.052,384 4.947,385 1.609,386 2.903,387 2.002,388 4.342,389 2.61,390 1.69,391 2.01,393 4.212,394 1.542,395 2.838,396 1.536,397 4.049,398 2.357,399 1.374,400 1.868,402 3.421,403 1.345,404 2.213,405 1.417,406 3.491,407 1.952,408 1.068,409 1.154,411 2.607,412 0.946,413 2.066,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 2,423 0.898,424 3.247,425 1.514,426 0.623,427 0.88,428 1.588,429 0.496,430 1.323,431 0.721,432 2.961,433 0.922,434 -0.044,435 -0.051,436 -0.126,437 -0.041,438 1.129,439 0.335,440 2.56,441 0.629,442 -0.341,443 -0.439,445 -0.818,446 -0.22,447 0.929,448 0.027,449 2.37,450 0.504,451 -0.393,452 -0.502,454 -1.007,455 -0.379,456 0.617,457 -0.207,458 2.272,459 0.374,460 -0.577,461 -0.708,463 -1.39,464 -0.552,465 11.933,466 0.497,467 0.571,468 0.024,469 29.5,470 1.229,471 12.5,472 0.521,473 17,474 0.708,475 20.363,476 0.848,477 25.267,478 0.648,479 19.254,480 0.802,481 5.823,482 0.243,483 5.863,484 0.244,485 0.14,487 0.327,493 0.835,494 1.473,495 0.47,496 0.93,497 0.598,498 0.864,499 1.011,500 1.119,501 0.559,502 0.799,503 0.641,504 0.84,505 1.326,506 0.951,507 0.89,508 0.784,509 1.103,510 0.849,511 0.564,512 0.921,513 0.876,514 1.009,515 0.642,516 1.041,517 1.055,518 1.073,519 0.626,520 0.874,521 1.232,522 0.955,523 1.03,524 1.108,525 0.906,526 1.074,527 1.552,528 1.118,529 1.058,530 1.008,531 0.561,532 0.786,533 1.501,534 0.804,535 1.448,536 0.695,537 0.983,538 0.695,539 1.023,540 0.728,541 5,542 0.052,543 2,544 1.882,545 1.103,546 0.719,547 0.38,548 0.251,549 0.214,550 0.163,551 6740,552 21295,553 2.161,554 38.5,556 12,559 1,560 2,564 1.669,565 2.057,566 3.257,567 -0.219,568 1,569 1,573 70.772,574 1.815,575 4.004,576 4.599,577 4.721,578 4.721,579 4.721,580 2.705,581 4.168,582 4.56,583 3.407,584 940.224,585 7.865,586 11003.3,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.185,595 0.004,596 0.053,597 0.052,598 0.034,599 0.026,600 0.014,601 0.01,602 0.01,603 0.009,604 0.397,605 0.5,606 1,607 0.49,608 113.795,609 -0.088,610 -0.315,611 0.004,612 -0.109,613 -0.034,614 -0.032,615 -0.024,616 -0.028,617 0.019,618 0.032,619 0.061,620 0.016,621 -0.264,622 0.085,623 -0.026,624 0.123,625 -0.169,626 0.06,627 0.26,628 0.089,629 0.033,630 -0.06,631 0.155,632 -0.066,633 -0.117,634 -0.08,635 -0.022,636 -0.024,637 -0.133,638 -0.012,639 0.057,640 -0.137,641 -0.094,642 -0.156,643 -0.003,644 -0.181,645 0.064,646 -0.056,647 0.107,648 0.073,649 -0.005,650 0.146,651 -0.295,652 0.23,653 -0.001,654 0.282,655 -0.139,656 0.261,657 1.848,658 4.958,659 0.875,660 18.965,661 1.024,662 1.127,663 2.594,664 6.727,665 0.7,666 3.332,667 3.664,668 3.932,669 4.234,670 4.431,671 4.477,672 4.585,673 4.718,674 4.771,675 4.836,676 5.834,677 0.677,678 391.25,679 3.332,680 4.875,681 5.727,682 6.611,683 7.477,684 8.365,685 9.237,686 10.127,687 11.002,688 11.892,689 10.3,692 1,696 1,698 1,699 1,703 2,704 3,705 1,707 1,709 2,711 10,730 1,731 39,733 13,734 1,735 27,736 1,737 42,738 16,739 7,740 3,741 3,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 15,782 7,783 1,784 8,785 1,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,843 1,848 24,854 5,855 1,856 1,859 1,869 1,870 7.7,873 1,874 1,875 1,877 11.667,878 7.076,879 5.167,880 2.333,881 2.717,882 1.368,883 1.014,884 4.395,885 10.101,886 3.584,887 4.178,888 4.75,889 5.365,890 5.817,891 6.123,892 6.456,893 6.869,894 6.986,895 7.294,896 1,897 36,898 8.873,900 3.825,901 7.767,902 16.877,904 13.921,905 2.267,906 54.417,910 164.795,911 78.252,912 100.66,914 45.652,917 124.206,918 210.448,919 54.706,921 33.941,922 37.905,923 64.983,924 36.944,925 4.836,926 164.795,927 45.954,928 164.795,929 132.958,930 45.652,932 45.954,933 164.795,934 34.652,935 11,937 61.015,938 45.681,939 26.262,940 45.954,941 164.795,942 100.358,943 124.206,946 164.795,947 40.347,948 41.029,949 63.965,950 79.223,951 164.795,952 100.358,953 124.206,955 0.582,956 0.336,957 0.191,958 0.104,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.694,966 199.734,967 0.095,968 21,969 106.039,974 15.817,975 6.668,976 3.414,977 1.463,978 100.358,979 5.658,980 4.47,982 5.741,984 1.387,986 18.011,987 389.359,988 35,993 11.958,995 1.511,996 4.548,997 1.014,999 39.92,1000 43.954,1001 0.343,1002 0.758,1003 0.87,1004 0.893,1005 0.893,1006 0.893,1007 4.832,1008 1.374,1009 5.707,1010 4.212,1011 4.344,1012 4.864,1013 2.316,1014 6.506,1015 4.22,1016 6.035,1017 1.068,1018 7.251,1019 3.421,1020 3.892,1021 4.705,1022 1.048,1023 7.322,1024 3.693,1025 7.345,1026 1,1027 8.89,1028 2.607,1029 5.922,1030 7.065,1031 2.547,1032 10.436,1033 5.693,1034 8.689,1035 0.623,1036 10.587,1037 2.136,1038 6.275,1039 7.759,1040 1.926,1041 12.088,1042 5.973,1043 10.065,1044 -0.044,1045 12.32,1046 1.588,1047 7.775,1048 9.606,1049 3.017,1050 14.694,1051 7.444,1052 11.464,1053 -0.341,1054 14.079,1055 -0.126,1056 8.52,1057 10.723,1058 2.824,1059 16.71,1060 8.121,1061 12.883,1062 -0.393,1063 15.858,1064 -0.818,1065 9.793,1066 12.359,1067 3.646,1068 19.127,1069 9.358,1070 3.094,1071 -0.577,1072 17.651,1073 -1.007,1074 10.73,1075 13.684,1076 3.721,1077 21.304,1078 10.234,1079 2.939,1080 10.221,1081 19.456,1082 -1.39,1083 11.905,1084 15.235,1085 4.375,1086 23.648,1087 11.368,1088 2.507,1089 9.327,1090 21.271,1091 4.51,1092 12.934,1093 16.656,1094 4.604,1095 25.896,1096 12.341,1097 2.242,1098 7.547,1099 23.094,1100 3.633,1101 14.068,1102 18.174,1103 5.16,1104 28.214,1105 13.431,1106 1.94,1107 6.44,1108 24.923,1109 3.074,1110 15.14,1111 19.639,1112 5.476,1113 30.494,1114 14.45,1115 1.747,1116 5.551,1117 26.757,1118 2.721,1119 16.26,1120 21.146,1121 5.975,1122 32.804,1123 15.523,1124 1.69,1125 4.947,1126 28.595,1127 2.591,1128 17.353,1129 22.632,1130 6.339,1131 35.099,1132 16.566,1133 6300,1134 11343,1135 18.493,1136 27.307,1137 40.911,1138 41.994,1139 41.277,1140 40.537,1141 40.452,1142 51.776,1143 9.351,1144 115.992,1145 37.682,1146 5.553,1147 5.582,1148 6.313,1149 5.153,1150 5.094,1151 7.51,1152 2.695,1153 16.957,1154 4.951,1155 8.666,1156 1.515,1157 1.555,1158 1.529,1159 1.501,1160 1.498,1161 1.918,1162 0.346,1163 4.296,1164 1.396,1165 4.086,1166 4.099,1167 6.881,1168 3.973,1169 7.43,1170 3.982,1171 3.887,1172 3.935,1173 4.008,1174 3.699,1175 5.203,1176 3.726,1177 3.663,1178 3.714,1179 3.827,1180 3.453,1181 4.752,1182 3.469,1183 3.411,1184 3.442,1185 3.553,1186 3.253,1187 4.578,1188 3.266,1189 3.111,1190 3.206,1191 3.3,1192 2.941,1193 4.399,1194 2.91,1195 3.037,1196 3.084,1197 2.954,1198 2.908,1199 3.987,1200 2.876,1201 2.944,1202 2.99,1203 2.87,1204 2.861,1205 3.893,1206 2.836,1207 2.912,1208 2.935,1209 2.866,1210 2.594,1211 3.486,1212 2.659,1213 0.169,1214 0.133,1215 0.241,1216 0.15,1217 0.115,1218 4.553,1219 0.167,1220 3.582,1221 0.057,1222 6.511,1223 0.379,1224 4.05,1225 0.109,1226 3.094,1227 4.51,1228 1.528,1229 10.221,1230 2.951,1231 1.888,1232 1.874,1233 1.949,1234 2.026,1235 1.209,1236 2.003,1237 1.804,1238 1.757,1239 1.94,1240 1.965,1241 1.077,1242 1.968,1243 1.611,1244 1.56,1245 1.785,1246 1.854,1247 0.956,1248 1.837,1249 1.374,1250 1.347,1251 1.521,1252 1.609,1253 0.825,1254 1.574,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 0.936,1262 0.901,1263 1.083,1264 1.17,1265 0.212,1266 1.149,1267 0.9,1268 0.867,1269 1.064,1270 1.121,1271 0.163,1272 1.091,1273 0.776,1274 0.72,1275 1.029,1276 1.089,1277 0.137,1278 1.082,1279 4.007,1281 5.333,1282 2.398,1283 6.849,1284 4.727,1285 8.453,1286 6.843,1287 10.1,1288 3.456,1295 3.067,1296 2.758,1297 5.337,1300 2.047,1305 26.416,1306 70.772,1307 156.157,1308 179.376,1309 184.131,1310 184.131,1311 184.131,1312 33.566,1313 7.384,1314 84.25,1315 84.25,1316 23,1317 12.424,1318 3.807,1319 3.17,1320 33.882,1321 84,1322 76,1323 0.197,1324 165.262,1325 285.29,1326 395,1327 16110,1328 2.6,1329 16.518,1330 0.688,1331 0.599,1332 17.518,1333 14.375,1334 11.687,1335 0.433,1336 0.313,1337 7.55,1338 10.529,1339 7.411,1340 6.017,1341 12.264,1342 8.451,1343 10.742,1344 0.283,1345 0.168,1346 11.483,1347 6.375,1348 8.872,1349 0.177,1350 0.09,1351 9.589,1352 4.485,1353 7.871,1354 0.116,1355 0.046,1356 8.483,1357 3.149,1358 6.196,1359 0.075,1360 0.025,1361 6.681,1362 2.061,1363 0.307,1364 82.685,1365 0.233,1366 23.358,1367 0.544,1368 130,1369 435.129,1370 213.969,1371 443.24,1372 595.38,1373 416,1374 153,1375 412.983,1376 205.821,1377 421.264,1378 623.04,1379 398,1380 5}
{0 CHEMBL2064411,1 1.588,2 11.621,3 2.839,4 8.058,5 107.59,6 7.928,7 0.485,8 4.026,9 4.13,10 3.66,11 3.566,12 5.135,13 3.572,14 4.567,15 4.715,16 4.026,17 3.949,18 5.682,19 3.94,20 4.789,21 4.986,22 4.016,23 4.052,24 5.814,25 4.014,26 4.751,27 4.954,28 3.996,29 4.038,30 5.815,31 3.974,32 4.744,33 4.946,34 3.968,35 3.987,36 5.805,37 3.945,38 4.728,39 4.916,40 3.915,41 3.929,42 5.872,43 3.88,44 4.655,45 4.878,46 3.749,47 3.766,48 5.732,49 3.713,50 4.49,51 4.721,52 3.574,53 3.633,54 5.469,55 3.581,56 0.051,57 0.731,58 8.898,59 4.273,60 5.936,61 5.147,62 0.345,63 1.2,64 17.929,65 7.133,66 25.785,67 8.77,68 0.502,69 1.435,70 25.341,71 8.619,72 39.023,73 10.961,74 0.467,75 1.401,76 23.729,77 9.216,78 38.503,79 12.407,80 0.384,81 1.358,82 24.108,83 8.58,84 38.54,85 11.183,86 0.548,87 1.286,88 23.812,89 8.644,90 57.214,91 10.921,92 0.531,93 1.17,94 23.973,95 7.799,96 53.831,97 10.274,98 0.386,99 0.996,100 20.626,101 6.648,102 33.41,103 8.678,104 2,105 46,106 0.265,107 0.624,108 0.736,109 0.804,110 0.834,111 0.834,112 3.408,113 0.875,114 -4.35,115 -4.28,116 -4.04,119 44.9,121 1,125 4,135 1,139 1,142 8,143 2,146 1,152 1,158 2,161 1,172 10,174 2,175 8,178 2,180 2,183 11,186 1,187 5,195 9,198 4,199 7,202 3,207 9,211 1,212 5,220 8,223 4,224 7,229 2,232 5,236 1,237 5,240 1,242 3,245 3,250 6,255 2,258 3,262 2,263 8,268 2,271 3,275 1295,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 17.808,282 17.74,283 12.142,284 20.58,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.737,291 22.177,292 5.866,293 17.043,294 4.027,295 1.872,296 1.199,297 0.791,298 0.612,299 0.612,300 4.124,303 1,304 1,305 1,306 756,307 2.345,310 58.02,311 339.764,314 113.778,318 1.66,319 26.568,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 337,332 4.614,333 3.582,334 6.717,335 4.159,336 3.175,337 4.56,338 1.528,339 10.957,340 3.127,341 4.259,342 3.22,343 6.203,344 3.886,345 2.946,346 3.648,347 1.005,348 9.332,349 2.773,350 4.006,351 3.125,352 5.859,353 3.616,354 2.636,355 3.573,356 0.864,357 8.246,358 2.587,359 3.672,360 2.937,361 5.51,362 3.396,363 2.444,364 2.947,365 0.86,366 7.345,367 2.314,368 3.488,369 2.583,370 5.084,371 3.131,372 2.132,373 2.671,374 0.367,375 6.109,376 2.121,377 3.321,378 2.312,379 4.708,380 2.819,381 1.828,382 2.573,383 0.052,384 5.066,385 1.807,386 3.185,387 2.108,388 4.634,389 2.695,390 1.735,391 2.446,393 4.721,394 1.667,395 2.904,396 1.755,397 4.342,398 2.611,399 1.685,400 2.024,402 4.212,403 1.543,404 2.847,405 1.536,406 4.04,407 2.367,408 1.384,409 1.87,411 3.433,412 1.358,413 2.705,414 1.416,415 3.539,416 2.214,417 1.219,418 1.802,420 2.788,421 1.212,422 2.5,423 1.256,424 3.491,425 2,426 1.068,427 1.5,428 2.607,429 1,430 2.213,431 1.221,432 3.247,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.956,448 0.721,449 3.211,450 1.442,451 0.47,452 0.695,454 1.269,455 0.456,456 1.318,457 0.472,458 2.961,459 0.921,460 -0.052,461 -0.06,463 -0.152,464 -0.05,465 13.6,466 0.469,467 0.585,468 0.02,469 38.5,470 1.328,471 18.5,472 0.638,473 20,474 0.69,475 22.178,476 0.765,477 30.2,478 0.616,479 28.771,480 0.992,481 7.895,482 0.272,483 6.364,484 0.219,485 0.025,487 0.324,493 0.816,494 1.339,495 0.702,496 1.087,497 0.611,498 0.907,499 1,500 1.092,501 0.884,502 0.989,503 0.664,504 0.93,505 1.279,506 0.943,507 1.066,508 0.83,509 1.078,510 0.883,511 0.561,512 0.965,513 0.895,514 1.037,515 0.633,516 1.031,517 1.071,518 1.062,519 0.977,520 0.987,521 1.141,522 0.958,523 1.135,524 1.083,525 1.091,526 1.105,527 1.434,528 1.098,529 1.2,530 1.009,531 1.006,532 0.926,533 1.44,534 0.926,535 1.366,536 0.868,537 0.991,538 0.767,539 0.932,540 0.798,541 5,542 0.134,543 2.222,544 2.069,545 1.089,546 0.99,547 0.489,548 0.298,549 0.198,550 0.196,551 11756,552 30502,553 2.215,554 40.8,556 17,559 1,560 2,564 1.719,565 2.148,566 3.516,567 -0.336,568 1,569 1,573 77.82,574 1.588,575 3.742,576 4.416,577 4.824,578 5.002,579 5.002,580 2.918,581 4.487,582 4.831,583 3.646,584 1480.22,585 8.413,586 19963.4,588 1,590 1,591 275.121,592 1.091,593 4.82,594 0.152,595 0.006,596 0.048,597 0.046,598 0.025,599 0.024,600 0.013,601 0.009,602 0.007,603 0.007,604 0.337,605 0.17,606 0.88,607 0.335,608 147.302,609 -0.046,610 -0.217,611 0.07,612 -0.093,613 -0.035,614 -0.008,615 0.031,616 -0.008,617 -0.001,618 -0.031,619 0.052,620 -0.031,621 -0.203,622 0.101,623 -0.1,624 0.114,625 -0.15,626 0.046,627 0.233,628 0.06,629 0.039,630 -0.061,631 0.139,632 -0.057,633 -0.082,634 -0.044,635 -0.011,636 -0.028,637 -0.091,638 -0.005,639 0.057,640 -0.1,641 -0.107,642 -0.139,643 0.003,644 -0.155,645 0.003,646 -0.047,647 0.04,648 0.027,649 -0.035,650 0.04,651 -0.202,652 0.093,653 0.057,654 0.191,655 -0.075,656 0.179,657 1.849,658 5.151,659 0.931,660 26.516,661 1.009,662 1.121,663 3.118,664 9.723,665 0.683,666 3.526,667 3.85,668 4.143,669 4.466,670 4.7,671 4.771,672 4.942,673 5.088,674 5.182,675 5.298,676 6.76,677 0.662,678 388.46,679 3.526,680 5.069,681 5.927,682 6.812,683 7.687,684 8.579,685 9.461,686 10.356,687 11.242,688 12.139,689 8.2,692 1,696 1,698 1,699 1,703 2,704 8,705 1,707 1,709 3,711 16,731 49,733 19,734 2,735 33,737 53,738 22,739 13,740 4,741 8,742 4,746 5,747 6,758 1,761 17,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 20,782 7,783 1,784 7,790 4,791 1,794 0.8,795 3,799 1,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 5,855 1,856 1,859 1,870 6.1,873 1,874 1,875 1,877 13.5,878 8.85,879 6.278,880 2.971,881 3.794,882 1.467,883 1.031,884 4.881,885 11.915,886 3.807,887 4.404,888 5.006,889 5.651,890 6.179,891 6.52,892 6.991,893 7.448,894 7.752,895 8.155,896 0.875,897 45,898 10.73,900 4.644,901 7.684,902 20.584,904 17.149,905 2.184,906 63.333,909 1,910 223.651,911 128.949,912 54.706,914 45.652,917 128.949,918 269.303,919 54.706,921 33.941,922 85.286,923 64.983,924 40.26,925 4.836,926 223.651,928 223.651,929 183.655,930 45.652,933 223.651,934 34.652,935 11,937 61.015,938 96.378,939 26.262,941 223.651,942 100.358,943 128.949,946 223.651,947 43.663,948 88.411,949 18.011,950 79.223,951 223.651,952 100.358,953 128.949,955 0.576,956 0.335,957 0.197,958 0.11,959 24,960 9,961 0.075,962 4,963 1,964 1.074,965 4.171,966 265.131,967 0.074,968 27,969 132.881,974 18.104,975 7.819,976 3.818,977 1.522,978 100.358,979 15.978,980 4.694,982 5.953,984 2.617,986 18.011,987 452.958,988 44,993 12.151,995 1.522,996 4.618,997 1.012,999 49.458,1000 54.943,1001 0.283,1002 0.667,1003 0.786,1004 0.859,1005 0.891,1006 0.891,1007 5.043,1008 1.685,1009 5.894,1010 4.721,1011 4.533,1012 5.091,1013 2.316,1014 6.698,1015 4.464,1016 6.24,1017 1.384,1018 7.435,1019 4.212,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.919,1025 7.543,1026 1.219,1027 9.077,1028 3.433,1029 6.107,1030 7.286,1031 2.547,1032 10.678,1033 5.976,1034 8.881,1035 1.068,1036 10.78,1037 2.788,1038 6.431,1039 7.9,1040 1.926,1041 12.39,1042 6.281,1043 10.254,1044 1,1045 12.525,1046 2.607,1047 7.969,1048 9.812,1049 3.017,1050 15.023,1051 7.783,1052 11.652,1053 1,1054 14.299,1055 2.136,1056 8.708,1057 10.875,1058 2.824,1059 17.107,1060 8.503,1061 13.071,1062 0.47,1063 16.094,1064 2.136,1065 10.002,1066 12.548,1067 3.646,1068 19.564,1069 9.768,1070 3.175,1071 -0.052,1072 17.906,1073 1.269,1074 10.946,1075 13.841,1076 3.721,1077 21.81,1078 10.694,1079 2.946,1080 10.957,1081 19.731,1082 -0.152,1083 12.137,1084 15.412,1085 4.375,1086 24.208,1087 11.861,1088 2.636,1089 9.332,1090 21.566,1091 4.56,1092 13.179,1093 16.819,1094 4.604,1095 26.527,1096 12.887,1097 2.444,1098 8.246,1099 23.41,1100 3.648,1101 14.329,1102 18.349,1103 5.16,1104 28.908,1105 14.018,1106 2.132,1107 7.345,1108 25.261,1109 3.573,1110 15.418,1111 19.811,1112 5.476,1113 31.26,1114 15.092,1115 1.828,1116 6.109,1117 27.118,1118 2.947,1119 16.555,1120 21.328,1121 5.975,1122 33.64,1123 16.213,1124 1.735,1125 5.066,1126 28.981,1127 2.671,1128 17.667,1129 22.816,1130 6.339,1131 36.009,1132 17.312,1133 10758,1134 17487,1135 23.057,1136 33.478,1137 50.004,1138 50.642,1139 49.944,1140 49.408,1141 49.443,1142 64.927,1143 9.351,1144 140.71,1145 47.689,1146 5.614,1147 5.582,1148 6.519,1149 5.263,1150 5.175,1151 7.56,1152 2.695,1153 18.158,1154 5.127,1155 6.943,1156 1.515,1157 1.535,1158 1.513,1159 1.497,1160 1.498,1161 1.967,1162 0.283,1163 4.264,1164 1.445,1165 4.121,1166 4.136,1167 4.094,1168 4.021,1169 7.43,1170 4.033,1171 3.894,1172 3.942,1173 3.841,1174 3.749,1175 5.205,1176 3.758,1177 3.825,1178 3.854,1179 3.758,1180 3.691,1181 4.756,1182 3.712,1183 3.658,1184 3.708,1185 3.553,1186 3.448,1187 4.744,1188 3.464,1189 3.402,1190 3.435,1191 3.32,1192 3.243,1193 4.575,1194 3.259,1195 3.111,1196 3.206,1197 2.96,1198 2.941,1199 4.345,1200 2.91,1201 3.038,1202 3.084,1203 2.885,1204 2.891,1205 3.945,1206 2.888,1207 2.975,1208 3.017,1209 2.869,1210 2.861,1211 3.891,1212 2.87,1213 0.14,1214 0.109,1215 0.204,1216 0.126,1217 0.096,1218 4.614,1219 0.138,1220 3.582,1221 0.046,1222 6.717,1223 0.332,1224 4.159,1225 0.095,1226 3.175,1227 4.56,1228 1.528,1229 10.957,1230 3.127,1231 1.994,1232 1.976,1233 2.08,1234 2.061,1235 1.209,1236 2.067,1237 1.804,1238 1.758,1239 1.949,1240 2.026,1241 1.2,1242 2.003,1243 1.758,1244 1.731,1245 1.882,1246 1.866,1247 0.956,1248 1.867,1249 1.611,1250 1.56,1251 1.785,1252 1.844,1253 0.944,1254 1.834,1255 1.372,1256 1.345,1257 1.522,1258 1.607,1259 0.825,1260 1.572,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.619,1266 1.429,1267 0.995,1268 0.955,1269 1.188,1270 1.179,1271 0.292,1272 1.173,1273 0.902,1274 0.868,1275 1.181,1276 1.142,1277 0.218,1278 1.115,1279 4.205,1281 5.525,1282 2.398,1283 7.045,1284 4.727,1285 8.654,1286 6.843,1287 10.309,1295 3.031,1296 2.801,1297 5.378,1300 2.057,1305 32.444,1306 77.82,1307 183.372,1308 216.366,1309 236.366,1310 245.121,1311 245.121,1312 39.799,1313 8.121,1314 84.25,1315 84.25,1316 29,1317 12.665,1318 4.322,1319 3.585,1320 39.63,1321 119,1322 110,1323 0.163,1324 194.727,1325 338.63,1326 466.894,1327 41800,1329 19.631,1330 0.677,1331 0.545,1332 19.631,1333 15.798,1334 14.259,1335 0.432,1336 0.292,1337 9.473,1338 13.64,1339 9.334,1340 7.637,1341 14.259,1342 9.629,1343 12.826,1344 0.279,1345 0.151,1346 12.826,1347 6.952,1348 10.825,1349 0.175,1350 0.08,1351 10.825,1352 4.979,1353 9.76,1354 0.113,1355 0.042,1356 9.76,1357 3.596,1358 7.987,1359 0.073,1360 0.022,1361 7.987,1362 2.446,1363 0.256,1364 89.748,1365 0.208,1366 27.535,1367 0.444,1368 158,1369 476.475,1370 176.098,1371 452.589,1372 628.73,1373 428,1374 187,1375 471.25,1376 204.963,1377 470.683,1378 695.44,1379 446,1380 5.11}
{0 CHEMBL2064412,1 1.588,2 11.621,3 2.839,4 8.058,5 107.59,6 7.928,7 0.485,8 4.026,9 4.13,10 3.66,11 3.566,12 5.135,13 3.572,14 4.567,15 4.715,16 4.026,17 3.949,18 5.682,19 3.94,20 4.789,21 4.986,22 4.019,23 4.051,24 5.815,25 4.013,26 4.754,27 4.953,28 4,29 4.033,30 5.82,31 3.973,32 4.747,33 4.945,34 3.969,35 3.985,36 5.808,37 3.944,38 4.727,39 4.917,40 3.912,41 3.932,42 5.869,43 3.881,44 4.651,45 4.879,46 3.745,47 3.771,48 5.728,49 3.715,50 4.488,51 4.722,52 3.574,53 3.635,54 5.467,55 3.582,56 0.051,57 0.731,58 8.898,59 4.273,60 5.936,61 5.147,62 0.345,63 1.2,64 17.929,65 7.133,66 25.653,67 8.77,68 0.493,69 1.432,70 25.302,71 8.622,72 38.822,73 10.963,74 0.48,75 1.384,76 23.88,77 9.322,78 39.136,79 12.375,80 0.407,81 1.344,82 24.299,83 8.683,84 39.241,85 11.148,86 0.546,87 1.296,88 23.755,89 8.59,90 57.065,91 10.936,92 0.518,93 1.187,94 23.821,95 7.694,96 53.331,97 10.306,98 0.374,99 1.003,100 20.53,101 6.597,102 33.06,103 8.695,104 2,105 46,106 0.265,107 0.624,108 0.736,109 0.804,110 0.834,111 0.834,112 3.408,113 0.875,114 -4.35,115 -4.28,116 -4.04,119 44.9,121 1,125 4,135 1,139 1,142 8,143 2,146 1,152 1,158 2,161 1,172 10,174 2,175 8,178 2,180 2,183 11,186 1,187 5,195 9,198 4,199 7,202 3,207 9,211 1,212 5,220 8,223 4,224 7,229 2,232 5,236 1,237 5,240 1,242 3,245 3,250 6,255 2,258 3,262 2,263 8,268 2,271 3,275 1295,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 17.808,282 17.74,283 12.142,284 20.584,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.737,291 22.177,292 5.866,293 17.048,294 4.027,295 1.872,296 1.199,297 0.791,298 0.612,299 0.612,300 4.124,303 1,304 1,305 1,306 756,307 2.345,310 58.02,311 339.764,314 113.778,318 1.66,319 26.584,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 337,332 4.614,333 3.582,334 6.717,335 4.164,336 3.175,337 4.56,338 1.528,339 10.957,340 3.141,341 4.259,342 3.22,343 6.203,344 3.885,345 2.946,346 3.648,347 1.005,348 9.332,349 2.772,350 4.006,351 3.125,352 5.859,353 3.61,354 2.636,355 3.573,356 0.864,357 8.246,358 2.569,359 3.672,360 2.937,361 5.51,362 3.395,363 2.444,364 2.947,365 0.86,366 7.345,367 2.312,368 3.488,369 2.583,370 5.084,371 3.131,372 2.132,373 2.671,374 0.367,375 6.109,376 2.121,377 3.321,378 2.312,379 4.708,380 2.813,381 1.828,382 2.573,383 0.052,384 5.066,385 1.792,386 3.185,387 2.108,388 4.634,389 2.699,390 1.735,391 2.446,393 4.721,394 1.678,395 2.904,396 1.755,397 4.342,398 2.614,399 1.685,400 2.024,402 4.212,403 1.546,404 2.847,405 1.536,406 4.04,407 2.372,408 1.384,409 1.87,411 3.433,412 1.365,413 2.705,414 1.416,415 3.539,416 2.212,417 1.219,418 1.802,420 2.788,421 1.209,422 2.5,423 1.256,424 3.491,425 2,426 1.068,427 1.5,428 2.607,429 1,430 2.213,431 1.221,432 3.247,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.956,448 0.721,449 3.211,450 1.446,451 0.47,452 0.695,454 1.269,455 0.458,456 1.318,457 0.472,458 2.961,459 0.916,460 -0.052,461 -0.06,463 -0.152,464 -0.05,465 13.6,466 0.469,467 0.585,468 0.02,469 38.5,470 1.328,471 18.5,472 0.638,473 20,474 0.69,475 22.191,476 0.765,477 30.2,478 0.616,479 28.758,480 0.992,481 7.895,482 0.272,483 6.364,484 0.219,485 0.025,487 0.324,493 0.816,494 1.339,495 0.702,496 1.087,497 0.611,498 0.907,499 1,500 1.092,501 0.884,502 0.989,503 0.665,504 0.93,505 1.271,506 0.931,507 1.06,508 0.841,509 1.074,510 0.885,511 0.641,512 0.949,513 0.904,514 1.042,515 0.647,516 1.031,517 1.161,518 1.057,519 0.991,520 0.981,521 1.161,522 0.955,523 1.098,524 1.098,525 1.089,526 1.096,527 1.429,528 1.097,529 1.111,530 1.027,531 0.996,532 0.92,533 1.423,534 0.927,535 1.308,536 0.871,537 0.982,538 0.771,539 0.92,540 0.8,541 5,542 0.134,543 2.222,544 2.069,545 1.089,546 0.99,547 0.489,548 0.298,549 0.198,550 0.196,551 11756,552 30482,553 2.215,554 40.8,556 17,559 1,560 2,564 1.719,565 2.148,566 3.516,567 -0.336,568 1,569 1,573 77.82,574 1.588,575 3.742,576 4.416,577 4.824,578 5.002,579 5.002,580 2.918,581 4.487,582 4.831,583 3.646,584 1480.22,585 8.413,586 19963.4,588 1,590 1,591 275.121,592 1.091,593 4.82,594 0.152,595 0.006,596 0.048,597 0.046,598 0.025,599 0.024,600 0.013,601 0.009,602 0.007,603 0.007,604 0.337,605 0.17,606 0.88,607 0.335,608 147.302,609 -0.046,610 -0.217,611 0.07,612 -0.093,613 -0.035,614 -0.008,615 0.031,616 -0.008,617 -0.001,618 -0.031,619 0.05,620 -0.031,621 -0.195,622 0.112,623 -0.095,624 0.103,625 -0.146,626 0.044,627 0.222,628 0.062,629 0.038,630 -0.061,631 0.139,632 -0.057,633 -0.102,634 -0.054,635 -0.018,636 -0.017,637 -0.098,638 -0.002,639 0.058,640 -0.107,641 -0.109,642 -0.133,643 0.002,644 -0.154,645 0.016,646 -0.05,647 0.042,648 0.027,649 -0.033,650 0.04,651 -0.189,652 0.099,653 0.061,654 0.184,655 -0.071,656 0.177,657 1.849,658 5.151,659 0.931,660 26.516,661 1.009,662 1.121,663 3.118,664 9.723,665 0.683,666 3.526,667 3.85,668 4.143,669 4.466,670 4.7,671 4.771,672 4.942,673 5.088,674 5.182,675 5.298,676 6.76,677 0.662,678 388.46,679 3.526,680 5.069,681 5.927,682 6.812,683 7.687,684 8.579,685 9.461,686 10.356,687 11.242,688 12.139,689 8.2,692 1,696 1,698 1,699 1,703 2,704 8,705 1,707 1,709 3,711 16,731 49,733 19,734 2,735 33,737 53,738 22,739 13,740 4,741 8,742 4,746 5,747 6,758 1,761 17,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 20,782 7,783 1,784 7,790 4,791 1,794 0.8,795 3,799 1,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 5,855 1,856 1,859 1,870 6.1,873 1,874 1,875 1,877 13.5,878 8.85,879 6.278,880 2.971,881 3.794,882 1.467,883 1.031,884 4.881,885 11.915,886 3.807,887 4.404,888 5.006,889 5.651,890 6.179,891 6.52,892 6.991,893 7.448,894 7.752,895 8.155,896 0.875,897 45,898 10.731,900 4.645,901 7.684,902 20.584,904 17.149,905 2.184,906 63.333,909 1,910 223.651,911 128.949,912 54.706,914 45.652,917 128.949,918 269.303,919 54.706,921 33.941,922 85.286,923 64.983,924 40.26,925 4.836,926 223.651,928 223.651,929 183.655,930 45.652,933 223.651,934 34.652,935 11,937 61.015,938 96.378,939 26.262,941 223.651,942 100.358,943 128.949,946 223.651,947 43.663,948 88.411,949 18.011,950 79.223,951 223.651,952 100.358,953 128.949,955 0.576,956 0.335,957 0.197,958 0.11,959 24,960 9,961 0.075,962 4,963 1,964 1.074,965 4.171,966 265.131,967 0.074,968 27,969 132.881,974 18.104,975 7.819,976 3.818,977 1.522,978 100.358,979 15.98,980 4.604,982 6.076,984 2.581,986 18.011,987 452.958,988 44,993 12.151,995 1.522,996 4.618,997 1.012,999 49.458,1000 54.943,1001 0.283,1002 0.667,1003 0.786,1004 0.859,1005 0.891,1006 0.891,1007 5.043,1008 1.685,1009 5.894,1010 4.721,1011 4.533,1012 5.091,1013 2.316,1014 6.698,1015 4.464,1016 6.24,1017 1.384,1018 7.435,1019 4.212,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.919,1025 7.543,1026 1.219,1027 9.077,1028 3.433,1029 6.107,1030 7.286,1031 2.547,1032 10.678,1033 5.977,1034 8.881,1035 1.068,1036 10.78,1037 2.788,1038 6.431,1039 7.9,1040 1.926,1041 12.39,1042 6.285,1043 10.254,1044 1,1045 12.525,1046 2.607,1047 7.969,1048 9.812,1049 3.017,1050 15.023,1051 7.787,1052 11.652,1053 1,1054 14.299,1055 2.136,1056 8.708,1057 10.875,1058 2.824,1059 17.107,1060 8.513,1061 13.071,1062 0.47,1063 16.094,1064 2.136,1065 10.002,1066 12.548,1067 3.646,1068 19.564,1069 9.78,1070 3.175,1071 -0.052,1072 17.906,1073 1.269,1074 10.946,1075 13.841,1076 3.721,1077 21.81,1078 10.712,1079 2.946,1080 10.957,1081 19.731,1082 -0.152,1083 12.137,1084 15.412,1085 4.375,1086 24.208,1087 11.882,1088 2.636,1089 9.332,1090 21.566,1091 4.56,1092 13.179,1093 16.819,1094 4.604,1095 26.527,1096 12.914,1097 2.444,1098 8.246,1099 23.41,1100 3.648,1101 14.329,1102 18.349,1103 5.16,1104 28.908,1105 14.049,1106 2.132,1107 7.345,1108 25.261,1109 3.573,1110 15.418,1111 19.811,1112 5.476,1113 31.26,1114 15.13,1115 1.828,1116 6.109,1117 27.118,1118 2.947,1119 16.555,1120 21.328,1121 5.975,1122 33.64,1123 16.255,1124 1.735,1125 5.066,1126 28.981,1127 2.671,1128 17.667,1129 22.816,1130 6.339,1131 36.009,1132 17.361,1133 10758,1134 17481,1135 23.057,1136 33.478,1137 50.004,1138 50.642,1139 49.944,1140 49.417,1141 49.443,1142 64.927,1143 9.351,1144 140.71,1145 47.69,1146 5.614,1147 5.582,1148 6.519,1149 5.267,1150 5.175,1151 7.56,1152 2.695,1153 18.158,1154 5.141,1155 6.943,1156 1.515,1157 1.535,1158 1.513,1159 1.497,1160 1.498,1161 1.967,1162 0.283,1163 4.264,1164 1.445,1165 4.122,1166 4.136,1167 4.095,1168 4.02,1169 7.43,1170 4.033,1171 3.894,1172 3.942,1173 3.841,1174 3.75,1175 5.204,1176 3.758,1177 3.823,1178 3.855,1179 3.756,1180 3.691,1181 4.755,1182 3.713,1183 3.658,1184 3.708,1185 3.553,1186 3.448,1187 4.739,1188 3.464,1189 3.402,1190 3.435,1191 3.321,1192 3.243,1193 4.575,1194 3.259,1195 3.111,1196 3.206,1197 2.958,1198 2.941,1199 4.361,1200 2.91,1201 3.037,1202 3.084,1203 2.888,1204 2.894,1205 3.943,1206 2.89,1207 2.976,1208 3.017,1209 2.87,1210 2.858,1211 3.891,1212 2.869,1213 0.14,1214 0.109,1215 0.204,1216 0.126,1217 0.096,1218 4.614,1219 0.138,1220 3.582,1221 0.046,1222 6.717,1223 0.332,1224 4.164,1225 0.095,1226 3.175,1227 4.56,1228 1.528,1229 10.957,1230 3.141,1231 1.993,1232 1.976,1233 2.08,1234 2.062,1235 1.209,1236 2.068,1237 1.805,1238 1.757,1239 1.949,1240 2.026,1241 1.199,1242 2.003,1243 1.759,1244 1.73,1245 1.884,1246 1.858,1247 0.962,1248 1.866,1249 1.61,1250 1.56,1251 1.784,1252 1.848,1253 0.94,1254 1.835,1255 1.372,1256 1.345,1257 1.521,1258 1.609,1259 0.825,1260 1.572,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.619,1266 1.429,1267 0.996,1268 0.954,1269 1.188,1270 1.179,1271 0.293,1272 1.173,1273 0.902,1274 0.868,1275 1.181,1276 1.141,1277 0.218,1278 1.115,1279 4.205,1281 5.525,1282 2.398,1283 7.045,1284 4.727,1285 8.654,1286 6.843,1287 10.309,1295 3.031,1296 2.801,1297 5.378,1300 2.057,1305 32.444,1306 77.82,1307 183.372,1308 216.366,1309 236.366,1310 245.121,1311 245.121,1312 39.901,1313 8.121,1314 84.25,1315 84.25,1316 29,1317 12.665,1318 4.322,1319 3.585,1320 39.63,1321 119,1322 110,1323 0.163,1324 194.727,1325 338.63,1326 466.894,1327 41800,1329 19.631,1330 0.677,1331 0.545,1332 19.631,1333 15.798,1334 14.259,1335 0.432,1336 0.292,1337 9.473,1338 13.642,1339 9.333,1340 7.638,1341 14.259,1342 9.629,1343 12.826,1344 0.279,1345 0.151,1346 12.826,1347 6.954,1348 10.825,1349 0.175,1350 0.08,1351 10.825,1352 4.975,1353 9.76,1354 0.113,1355 0.042,1356 9.76,1357 3.591,1358 7.987,1359 0.073,1360 0.022,1361 7.987,1362 2.442,1363 0.256,1364 89.748,1365 0.208,1366 27.535,1367 0.444,1368 158,1369 476.475,1370 176.098,1371 452.623,1372 628.75,1373 428,1374 187,1375 471.25,1376 205.129,1377 470.771,1378 695.67,1379 446,1380 5}
{0 CHEMBL2064413,1 1.735,2 11,3 2.792,4 7.795,5 106.424,6 8.576,7 0.469,8 3.977,9 4.071,10 3.714,11 3.553,12 5.083,13 3.539,14 4.52,15 4.658,16 4.092,17 3.942,18 5.638,19 3.912,20 4.709,21 4.898,22 4.019,23 3.991,24 5.74,25 3.939,26 4.661,27 4.848,28 4.064,29 3.999,30 5.75,31 3.926,32 4.67,33 4.858,34 4.029,35 3.95,36 5.743,37 3.892,38 4.637,39 4.821,40 3.876,41 3.848,42 5.791,43 3.792,44 4.557,45 4.775,46 3.705,47 3.684,48 5.641,49 3.615,50 4.39,51 4.609,52 3.64,53 3.57,54 5.391,55 3.519,56 0.074,57 0.704,58 7.822,59 4.197,60 5.886,61 4.616,62 0.379,63 1.175,64 17.578,65 7.334,66 25.059,67 8.033,68 0.549,69 1.363,70 25.039,71 8.589,72 38.107,73 9.579,74 0.488,75 1.334,76 22.487,77 8.789,78 36.115,79 10.857,80 0.428,81 1.299,82 23.663,83 8.659,84 36.503,85 9.992,86 0.561,87 1.193,88 21.826,89 8.292,90 55.108,91 9.727,92 0.558,93 1.096,94 23.887,95 7.845,96 51.899,97 9.267,98 0.406,99 0.946,100 19.57,101 6.148,102 30.734,103 7.457,104 2,105 45,106 0.293,107 0.682,108 0.81,109 0.852,110 0.852,111 0.852,112 3.375,113 0.937,114 -4.25,115 -4.19,116 -3.96,119 43.5,121 1,125 4,135 1,139 1,142 5,143 1,146 1,151 1,152 2,158 2,161 1,172 4,174 2,175 8,178 2,180 2,183 6,186 1,187 4,195 4,198 4,199 6,202 3,207 6,211 1,212 4,220 5,223 4,224 5,229 2,232 3,236 1,237 3,240 1,242 2,245 1,250 6,255 2,258 2,262 2,263 5,268 1,271 2,275 1152,276 19.463,277 19.463,278 19.463,279 19.463,280 19.463,281 17.23,282 17.74,283 11.642,284 20.075,285 15.897,286 15.897,287 15.897,288 15.897,289 15.897,290 12.404,291 22.177,292 5.616,293 16.868,294 3.788,295 1.489,296 0.731,297 0.478,298 0.478,299 0.478,300 4.089,304 1,305 1,306 695,307 2.345,310 122.946,311 247.078,314 109.779,318 1.571,319 26.502,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 308,332 4.615,333 3.582,334 6.717,335 4.15,336 3.176,337 4.561,338 1.528,339 10.958,340 3.093,341 4.259,342 3.221,343 6.203,344 3.885,345 2.946,346 3.655,347 1.005,348 9.332,349 2.769,350 4.019,351 3.126,352 5.861,353 3.589,354 2.643,355 3.591,356 0.864,357 8.253,358 2.497,359 3.673,360 2.938,361 5.511,362 3.388,363 2.447,364 2.945,365 0.86,366 7.347,367 2.294,368 3.488,369 2.591,370 5.085,371 3.12,372 2.134,373 2.659,374 0.367,375 6.113,376 2.092,377 3.31,378 2.314,379 4.713,380 2.784,381 1.817,382 2.554,383 0.052,384 5.073,385 1.739,386 3.167,387 2.111,388 4.637,389 2.663,390 1.727,391 2.438,393 4.743,394 1.621,395 2.903,396 1.722,397 4.342,398 2.608,399 1.673,400 2.011,402 4.212,403 1.542,404 2.839,405 1.536,406 4.041,407 2.359,408 1.375,409 1.869,411 3.406,412 1.35,413 2.464,414 1.411,415 3.491,416 1.952,417 1.068,418 1.448,420 2.607,421 0.946,422 2.213,423 1.256,424 3.411,425 1.95,426 1,427 1.154,428 2.328,429 0.938,430 2.118,431 1,432 3.247,433 1.949,434 1,435 1,436 2.136,437 0.934,438 2,439 0.721,440 3.111,441 1.465,442 0.618,443 0.927,445 1.372,446 0.507,447 1.905,448 0.618,449 3,450 1.365,451 0.409,452 0.611,454 1.094,455 0.388,456 1.316,457 0.41,458 2.961,459 0.915,460 -0.055,461 -0.064,463 -0.162,464 -0.053,465 13.433,466 0.48,467 0.585,468 0.021,469 36,470 1.286,471 16.5,472 0.589,473 19.5,474 0.696,475 22.737,476 0.812,477 29.167,478 0.634,479 25.675,480 0.917,481 7.165,482 0.256,483 6.594,484 0.236,485 0.025,487 0.328,493 0.825,494 1.285,495 0.674,496 0.967,497 0.602,498 0.864,499 1.015,500 1.042,501 0.891,502 0.924,503 0.654,504 0.886,505 1.34,506 0.931,507 1.06,508 0.819,509 1.111,510 0.874,511 0.583,512 0.938,513 0.856,514 0.97,515 0.646,516 0.993,517 1.071,518 1.075,519 0.933,520 0.987,521 1.165,522 0.973,523 1.106,524 1.031,525 0.939,526 0.994,527 1.462,528 1.082,529 1.195,530 1.001,531 0.997,532 0.907,533 1.484,534 0.93,535 1.327,536 0.883,537 0.815,538 0.731,539 0.946,540 0.765,541 5,542 0.119,543 2.222,544 1.91,545 1.058,546 0.973,547 0.405,548 0.292,549 0.183,550 0.201,551 10728,552 29920,553 2.223,554 39.1,556 14,557 1,559 1,560 2,564 1.71,565 2.154,566 3.45,567 -0.288,568 1,569 1,573 79.832,574 1.735,575 4.035,576 4.793,577 5.045,578 5.045,579 5.045,580 2.88,581 4.28,582 4.782,583 3.592,584 1357.66,585 8.312,586 17820.3,588 1,590 1,591 254.084,592 1.108,593 4.769,594 0.156,595 0.005,596 0.049,597 0.045,598 0.025,599 0.024,600 0.012,601 0.01,602 0.007,603 0.007,604 0.342,605 0.17,606 0.88,607 0.343,608 140.379,609 -0.062,610 -0.198,611 0.071,612 -0.042,613 -0.033,614 0.001,615 0.005,616 0.028,618 0.023,619 0.055,621 -0.246,622 0.106,623 -0.128,624 0.101,625 -0.162,626 0.044,627 0.232,628 0.086,629 0.055,630 -0.025,631 0.142,632 -0.035,633 -0.079,634 -0.067,635 0.004,636 -0.045,637 -0.105,638 -0.027,639 0.06,640 -0.079,641 -0.09,642 -0.113,643 0.009,644 -0.148,645 -0.013,646 -0.051,647 -0.007,648 0.027,649 -0.042,650 0.047,651 -0.185,652 0.075,653 0.126,654 0.175,655 -0.082,656 0.206,657 1.845,658 5.123,659 0.929,660 24.582,661 1.014,662 1.118,663 3.018,664 9.111,665 0.704,666 3.497,667 3.829,668 4.127,669 4.454,670 4.644,671 4.754,672 4.913,673 5.05,674 5.136,675 5.247,676 6.552,677 0.676,678 394.49,679 3.497,680 5.043,681 5.905,682 6.795,683 7.672,684 8.567,685 9.451,686 10.348,687 11.236,688 12.134,689 8.7,692 1,696 1,698 1,699 1,703 2,704 6,705 1,707 1,708 1,709 3,711 15,731 46,733 18,734 1,735 32,737 50,738 20,739 11,740 3,741 3,742 4,746 5,747 6,758 1,761 15,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 18,782 7,783 1,784 8,785 1,790 4,791 1,794 0.8,795 3,799 1,811 2,812 3,815 1,826 1,831 1,836 1,839 1,840 4,842 1,848 28,854 5,855 1,856 1,859 1,865 1,870 6.5,873 1,874 1,875 1,877 13,878 8.35,879 6.028,880 2.762,881 3.518,882 1.439,883 1.037,884 4.807,885 11.528,886 3.773,887 4.376,888 4.984,889 5.633,890 6.08,891 6.498,892 6.948,893 7.387,894 7.659,895 8.047,896 1,897 42,898 10.367,900 4.511,901 7.685,902 19.909,904 16.696,905 2.185,906 61.167,909 1,910 200.109,911 137.62,912 54.706,914 45.652,916 31.278,917 106.342,918 245.761,919 54.706,921 33.941,922 64.507,923 64.983,924 37.075,925 17.966,926 219.615,928 200.109,929 161.048,930 45.652,931 31.278,933 200.109,934 34.652,935 11,937 61.015,938 73.771,939 26.262,940 31.278,941 200.109,942 100.358,943 137.62,946 200.109,947 73.113,948 67.631,949 18.011,950 79.223,951 200.109,952 100.358,953 137.62,955 0.579,956 0.338,957 0.199,958 0.104,959 24,960 9,961 0.08,962 4,963 1,964 1.077,965 4.093,966 253.824,967 0.077,968 26,969 130.606,970 1,974 17.74,975 7.587,976 3.687,977 1.555,978 100.358,979 12.041,980 4.68,982 5.934,983 1.667,984 2.721,986 18.011,987 438.087,988 42.5,993 12.123,995 1.524,996 4.612,997 1.025,999 46.651,1000 51.448,1001 0.314,1002 0.73,1003 0.868,1004 0.913,1005 0.913,1006 0.913,1007 5.016,1008 1.673,1009 5.878,1010 4.743,1011 4.511,1012 5.063,1013 2.316,1014 6.688,1015 4.406,1016 6.216,1017 1.375,1018 7.424,1019 4.212,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.883,1025 7.522,1026 1.068,1027 9.069,1028 3.406,1029 6.094,1030 7.265,1031 2.547,1032 10.676,1033 5.903,1034 8.866,1035 1,1036 10.775,1037 2.607,1038 6.447,1039 7.928,1040 1.926,1041 12.393,1042 6.23,1043 10.244,1044 1,1045 12.522,1046 2.328,1047 7.962,1048 9.797,1049 3.017,1050 15.023,1051 7.695,1052 11.646,1053 0.618,1054 14.297,1055 2.136,1056 8.721,1057 10.9,1058 2.824,1059 17.108,1060 8.426,1061 13.068,1062 0.409,1063 16.094,1064 1.372,1065 10.001,1066 12.54,1067 3.646,1068 19.565,1069 9.667,1070 3.176,1071 -0.055,1072 17.906,1073 1.094,1074 10.956,1075 13.859,1076 3.721,1077 21.811,1078 10.594,1079 2.946,1080 10.958,1081 19.732,1082 -0.162,1083 12.14,1084 15.41,1085 4.375,1086 24.21,1087 11.745,1088 2.643,1089 9.332,1090 21.567,1091 4.561,1092 13.188,1093 16.832,1094 4.604,1095 26.528,1096 12.766,1097 2.447,1098 8.253,1099 23.411,1100 3.655,1101 14.335,1102 18.351,1103 5.16,1104 28.91,1105 13.885,1106 2.134,1107 7.347,1108 25.262,1109 3.591,1110 15.427,1111 19.821,1112 5.476,1113 31.262,1114 14.952,1115 1.817,1116 6.113,1117 27.12,1118 2.945,1119 16.562,1120 21.332,1121 5.975,1122 33.641,1123 16.061,1124 1.727,1125 5.073,1126 28.982,1127 2.659,1128 17.676,1129 22.824,1130 6.339,1131 36.01,1132 17.151,1133 9782,1134 16494,1135 22.364,1136 32.364,1137 48.76,1138 48.999,1139 48.285,1140 47.94,1141 48.067,1142 62.846,1143 9.351,1144 137.946,1145 45.42,1146 5.615,1147 5.582,1148 6.519,1149 5.253,1150 5.176,1151 7.561,1152 2.695,1153 18.165,1154 5.093,1155 6.762,1156 1.524,1157 1.531,1158 1.509,1159 1.498,1160 1.502,1161 1.964,1162 0.292,1163 4.311,1164 1.419,1165 4.116,1166 4.128,1167 4.258,1168 4.047,1169 7.43,1170 4.032,1171 3.892,1172 3.94,1173 3.99,1174 3.776,1175 5.203,1176 3.746,1177 3.778,1178 3.789,1179 3.83,1180 3.691,1181 4.752,1182 3.696,1183 3.654,1184 3.701,1185 3.555,1186 3.447,1187 4.673,1188 3.463,1189 3.395,1190 3.43,1191 3.319,1192 3.24,1193 4.573,1194 3.254,1195 3.111,1196 3.206,1197 2.956,1198 2.941,1199 4.328,1200 2.91,1201 3.036,1202 3.083,1203 2.87,1204 2.862,1205 3.921,1206 2.874,1207 2.944,1208 2.99,1209 2.866,1210 2.769,1211 3.887,1212 2.766,1213 0.144,1214 0.112,1215 0.21,1216 0.13,1217 0.099,1218 4.615,1219 0.143,1220 3.582,1221 0.048,1222 6.717,1223 0.342,1224 4.15,1225 0.097,1226 3.176,1227 4.561,1228 1.528,1229 10.958,1230 3.093,1231 1.923,1232 1.91,1233 1.988,1234 2.026,1235 1.209,1236 2.003,1237 1.804,1238 1.757,1239 1.949,1240 1.995,1241 1.136,1242 1.996,1243 1.612,1244 1.562,1245 1.786,1246 1.855,1247 0.956,1248 1.837,1249 1.462,1250 1.426,1251 1.635,1252 1.623,1253 0.825,1254 1.605,1255 1.381,1256 1.363,1257 1.521,1258 1.555,1259 0.682,1260 1.567,1261 1.256,1262 1.257,1263 1.513,1264 1.376,1265 0.62,1266 1.429,1267 1.153,1268 1.064,1269 1.229,1270 1.261,1271 0.537,1272 1.338,1273 0.904,1274 0.868,1275 1.073,1276 1.16,1277 0.21,1278 1.131,1279 4.174,1281 5.501,1282 3.045,1283 7.017,1284 5.283,1285 8.621,1286 7.298,1287 10.275,1295 3.054,1296 2.799,1297 5.373,1300 2.059,1305 31.105,1306 79.832,1307 185.603,1308 220.474,1309 232.084,1310 232.084,1311 232.084,1312 37.837,1313 8.01,1314 84.25,1315 112.49,1316 28,1317 12.659,1318 4.248,1319 3.524,1320 37.688,1321 112,1322 102,1323 0.165,1324 189.601,1325 325.18,1326 454.385,1327 35952,1329 18.924,1330 0.676,1331 0.567,1332 19.278,1333 15.868,1334 13.759,1335 0.43,1336 0.312,1337 9.035,1338 12.65,1339 8.826,1340 7.193,1341 14.213,1342 9.994,1343 12.473,1344 0.277,1345 0.167,1346 13.056,1347 7.511,1348 10.575,1349 0.173,1350 0.092,1351 11.241,1352 5.584,1353 9.583,1354 0.113,1355 0.049,1356 10.256,1357 4.129,1358 7.374,1359 0.072,1360 0.025,1361 7.762,1362 2.539,1363 0.26,1364 91.29,1365 0.211,1366 26.701,1367 0.453,1368 154,1369 477.335,1370 194.38,1371 471.618,1372 652.31,1373 446,1374 183,1375 471.65,1376 219.336,1377 483.82,1378 716.02,1379 458,1380 5.361}
{0 CHEMBL2064414,1 1.641,2 11.621,3 2.117,4 4.48,5 105.061,6 8.114,7 0.485,8 4.015,9 4.12,10 3.666,11 3.533,12 5.145,13 3.551,14 4.554,15 4.704,16 4.032,17 3.909,18 5.692,19 3.914,20 4.764,21 4.962,22 4.021,23 4.004,24 5.817,25 3.983,26 4.718,27 4.919,28 4.002,29 3.989,30 5.818,31 3.941,32 4.708,33 4.906,34 3.973,35 3.942,36 5.804,37 3.914,38 4.695,39 4.881,40 3.913,41 3.897,42 5.856,43 3.858,44 4.641,45 4.865,46 3.751,47 3.738,48 5.736,49 3.696,50 4.463,51 4.69,52 3.582,53 3.603,54 5.477,55 3.56,56 0.077,57 0.748,58 8.351,59 4.024,60 6.917,61 4.785,62 0.391,63 1.205,64 17.216,65 6.621,66 27.256,67 8.078,68 0.572,69 1.411,70 24.365,71 7.826,72 42.607,73 9.88,74 0.528,75 1.372,76 22.415,77 8.409,78 41.22,79 11.252,80 0.468,81 1.318,82 22.673,83 7.876,84 41.363,85 10.226,86 0.574,87 1.249,88 22.407,89 8.123,90 57.831,91 10.237,92 0.594,93 1.144,94 23.528,95 7.35,96 57.223,97 9.681,98 0.461,99 0.969,100 19.838,101 6.322,102 36.139,103 8.155,104 2,105 46,106 0.275,107 0.66,108 0.797,109 0.851,110 0.858,111 0.858,112 3.408,113 0.863,114 -3.65,115 -3.62,116 -3.45,119 43.8,121 1,125 4,135 1,139 1,142 6,143 1,145 1,146 2,152 1,158 2,161 1,172 5,174 2,175 11,178 2,180 2,183 4,186 1,187 6,195 3,198 5,199 6,202 3,207 6,211 2,212 4,220 5,223 4,224 7,229 2,232 3,236 1,237 4,240 1,242 2,245 2,249 1,250 5,253 1,255 1,258 3,262 2,263 5,268 1,271 2,275 1295,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 17.808,282 17.74,283 12.142,284 20.643,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.737,291 22.177,292 5.866,293 17.143,294 3.944,295 1.64,296 0.823,297 0.5,298 0.458,299 0.458,300 4.124,303 1,304 1,305 1,306 756,307 2.345,310 58.02,311 339.764,314 113.778,318 1.66,319 28.897,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 337,332 4.614,333 3.582,334 6.717,335 4.155,336 3.175,337 4.56,338 1.528,339 10.957,340 3.114,341 4.259,342 3.22,343 6.203,344 3.885,345 2.946,346 3.648,347 1.005,348 9.332,349 2.771,350 4.006,351 3.125,352 5.859,353 3.604,354 2.636,355 3.573,356 0.864,357 8.246,358 2.553,359 3.672,360 2.937,361 5.51,362 3.392,363 2.444,364 2.947,365 0.86,366 7.345,367 2.308,368 3.488,369 2.583,370 5.084,371 3.127,372 2.132,373 2.671,374 0.367,375 6.109,376 2.112,377 3.321,378 2.312,379 4.708,380 2.812,381 1.828,382 2.573,383 0.052,384 5.066,385 1.791,386 3.185,387 2.108,388 4.634,389 2.692,390 1.735,391 2.446,393 4.721,394 1.664,395 2.904,396 1.755,397 4.342,398 2.611,399 1.685,400 2.024,402 4.212,403 1.543,404 2.847,405 1.536,406 4.04,407 2.366,408 1.384,409 1.87,411 3.433,412 1.357,413 2.705,414 1.416,415 3.539,416 2.203,417 1.219,418 1.802,420 2.788,421 1.198,422 2.5,423 1.256,424 3.491,425 1.958,426 1.068,427 1.5,428 2.607,429 0.956,430 2.213,431 1.221,432 3.247,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.956,448 0.721,449 3.211,450 1.438,451 0.47,452 0.695,454 1.269,455 0.454,456 1.318,457 0.472,458 2.961,459 0.92,460 -0.052,461 -0.06,463 -0.152,464 -0.05,465 13.5,466 0.466,467 0.585,468 0.02,469 39,470 1.345,471 18.5,472 0.638,473 20.5,474 0.707,475 21.875,476 0.754,477 30.3,478 0.631,479 29.074,480 1.003,481 7.977,482 0.275,483 6.283,484 0.217,485 0.025,487 0.326,493 0.83,494 1.416,495 0.682,496 1.124,497 0.612,498 0.914,499 1.028,500 1.139,501 0.872,502 0.993,503 0.678,504 0.918,505 1.319,506 0.965,507 1.067,508 0.809,509 1.101,510 0.86,511 0.6,512 0.939,513 0.899,514 1.022,515 0.658,516 1.022,517 1.044,518 1.08,519 0.97,520 0.997,521 1.138,522 0.966,523 1.077,524 1.077,525 1.072,526 1.122,527 1.416,528 1.108,529 1.21,530 0.986,531 1.02,532 0.915,533 1.443,534 0.923,535 1.308,536 0.775,537 1.002,538 0.768,539 0.918,540 0.814,541 5,542 0.134,543 2.222,544 2.069,545 1.089,546 0.99,547 0.489,548 0.298,549 0.198,550 0.196,551 11756,552 31830,553 2.215,554 39.6,556 15,558 1,559 1,560 2,564 1.719,565 2.148,566 3.516,567 -0.302,568 1,569 1,573 78.764,574 1.641,575 3.945,576 4.762,577 5.085,578 5.127,579 5.127,580 2.918,581 4.487,582 4.831,583 3.646,584 1480.22,585 8.413,586 19963.4,588 1,590 1,591 268.078,592 1.091,593 4.82,594 0.152,595 0.006,596 0.048,597 0.046,598 0.025,599 0.024,600 0.013,601 0.009,602 0.007,603 0.007,604 0.337,605 0.33,606 0.88,607 0.335,608 147.302,609 -0.061,610 -0.277,611 0.07,612 -0.125,613 -0.032,614 -0.022,615 -0.002,616 -0.051,617 0.004,618 -0.037,619 0.045,620 -0.025,621 -0.239,622 0.075,623 -0.101,624 0.129,625 -0.162,626 0.063,627 0.22,628 0.095,629 0.034,630 -0.052,631 0.135,632 -0.055,633 -0.054,634 -0.066,635 -0.01,636 -0.035,637 -0.084,638 -0.014,639 0.051,640 -0.103,641 -0.099,642 -0.145,643 -0.004,644 -0.154,645 -0.03,646 -0.044,647 0.033,648 0.041,649 -0.059,650 0.052,651 -0.159,652 0.171,653 0.047,654 0.195,655 -0.062,656 0.168,657 1.859,658 5.142,659 0.931,660 26.516,661 1.014,662 1.126,663 2.419,664 5.852,665 0.682,666 3.526,667 3.85,668 4.143,669 4.466,670 4.7,671 4.771,672 4.942,673 5.088,674 5.182,675 5.298,676 6.76,677 0.665,678 389.45,679 3.526,680 5.069,681 5.927,682 6.812,683 7.687,684 8.579,685 9.461,686 10.356,687 11.242,688 12.139,689 10.4,692 1,696 1,698 1,699 2,703 2,704 7,705 2,707 1,709 3,711 16,731 48,733 19,734 1,735 33,737 52,738 21,739 12,740 3,741 3,742 4,746 5,747 6,758 1,761 16,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 19,782 8,783 1,784 8,790 5,791 1,794 0.8,795 3,799 1,805 1,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 5,855 1,856 1,859 1,870 6.3,873 1,874 1,875 1,877 13.5,878 8.717,879 6.278,880 2.893,881 3.794,882 1.467,883 1.028,884 4.841,885 11.915,886 3.807,887 4.404,888 5.006,889 5.651,890 6.179,891 6.52,892 6.991,893 7.448,894 7.752,895 8.155,896 0.875,897 45,898 10.72,900 4.642,901 7.718,902 20.455,904 16.957,905 2.218,906 64.333,910 211.88,911 118.615,912 71.492,914 45.652,917 118.615,918 257.532,919 71.492,921 33.941,922 66.334,923 93.54,924 48.879,925 4.836,926 200.109,928 211.88,929 190.107,930 45.652,933 211.88,934 34.652,935 11,937 72.82,938 74.24,939 43.047,941 211.88,942 117.144,943 118.615,946 211.88,947 43.234,948 78.505,949 18.011,950 96.009,951 211.88,952 117.144,953 118.615,955 0.576,956 0.335,957 0.197,958 0.11,959 24,960 9,961 0.077,962 4,963 1,964 1.074,965 4.171,966 265.131,967 0.074,968 27,969 134.881,974 18.043,975 7.78,976 3.795,977 1.419,978 117.144,979 13.263,980 9.064,982 5.925,984 2.228,986 18.011,987 447.639,988 44,993 12.142,995 1.514,996 4.606,997 0.976,999 48.676,1000 54.026,1001 0.294,1002 0.706,1003 0.853,1004 0.91,1005 0.918,1006 0.918,1007 5.043,1008 1.685,1009 5.894,1010 4.721,1011 4.533,1012 5.091,1013 2.316,1014 6.698,1015 4.452,1016 6.24,1017 1.384,1018 7.435,1019 4.212,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.907,1025 7.543,1026 1.219,1027 9.077,1028 3.433,1029 6.107,1030 7.286,1031 2.547,1032 10.678,1033 5.955,1034 8.881,1035 1.068,1036 10.78,1037 2.788,1038 6.431,1039 7.9,1040 1.926,1041 12.39,1042 6.26,1043 10.254,1044 1,1045 12.525,1046 2.607,1047 7.969,1048 9.812,1049 3.017,1050 15.023,1051 7.752,1052 11.652,1053 1,1054 14.299,1055 2.136,1056 8.708,1057 10.875,1058 2.824,1059 17.107,1060 8.472,1061 13.071,1062 0.47,1063 16.094,1064 2.136,1065 10.002,1066 12.548,1067 3.646,1068 19.564,1069 9.73,1070 3.175,1071 -0.052,1072 17.906,1073 1.269,1074 10.946,1075 13.841,1076 3.721,1077 21.81,1078 10.654,1079 2.946,1080 10.957,1081 19.731,1082 -0.152,1083 12.137,1084 15.412,1085 4.375,1086 24.208,1087 11.815,1088 2.636,1089 9.332,1090 21.566,1091 4.56,1092 13.179,1093 16.819,1094 4.604,1095 26.527,1096 12.838,1097 2.444,1098 8.246,1099 23.41,1100 3.648,1101 14.329,1102 18.349,1103 5.16,1104 28.908,1105 13.964,1106 2.132,1107 7.345,1108 25.261,1109 3.573,1110 15.418,1111 19.811,1112 5.476,1113 31.26,1114 15.035,1115 1.828,1116 6.109,1117 27.118,1118 2.947,1119 16.555,1120 21.328,1121 5.975,1122 33.64,1123 16.151,1124 1.735,1125 5.066,1126 28.981,1127 2.671,1128 17.667,1129 22.816,1130 6.339,1131 36.009,1132 17.247,1133 10758,1134 17861,1135 23.057,1136 32.722,1137 50.004,1138 50.642,1139 49.944,1140 49.393,1141 49.443,1142 64.927,1143 9.351,1144 140.71,1145 47.397,1146 5.614,1147 5.582,1148 6.519,1149 5.259,1150 5.175,1151 7.56,1152 2.695,1153 18.158,1154 5.114,1155 6.943,1156 1.515,1157 1.535,1158 1.513,1159 1.497,1160 1.498,1161 1.967,1162 0.283,1163 4.264,1164 1.436,1165 4.116,1166 4.133,1167 4.091,1168 4,1169 7.43,1170 4.017,1171 3.892,1172 3.941,1173 3.84,1174 3.709,1175 5.209,1176 3.734,1177 3.8,1178 3.838,1179 3.74,1180 3.67,1181 4.875,1182 3.682,1183 3.657,1184 3.707,1185 3.552,1186 3.448,1187 4.751,1188 3.464,1189 3.401,1190 3.435,1191 3.32,1192 3.243,1193 4.575,1194 3.259,1195 3.111,1196 3.206,1197 2.96,1198 2.941,1199 4.347,1200 2.91,1201 3.038,1202 3.084,1203 2.883,1204 2.885,1205 3.947,1206 2.884,1207 2.971,1208 3.013,1209 2.869,1210 2.861,1211 3.892,1212 2.869,1213 0.14,1214 0.109,1215 0.204,1216 0.126,1217 0.096,1218 4.614,1219 0.138,1220 3.582,1221 0.046,1222 6.717,1223 0.332,1224 4.155,1225 0.094,1226 3.175,1227 4.56,1228 1.528,1229 10.957,1230 3.114,1231 1.963,1232 1.943,1233 2.04,1234 2.053,1235 1.209,1236 2.05,1237 1.804,1238 1.757,1239 1.949,1240 2.026,1241 1.149,1242 2.003,1243 1.722,1244 1.689,1245 1.851,1246 1.862,1247 0.956,1248 1.852,1249 1.611,1250 1.559,1251 1.785,1252 1.837,1253 0.874,1254 1.832,1255 1.372,1256 1.345,1257 1.522,1258 1.607,1259 0.825,1260 1.572,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.619,1266 1.429,1267 0.99,1268 0.95,1269 1.187,1270 1.179,1271 0.286,1272 1.171,1273 0.902,1274 0.868,1275 1.077,1276 1.141,1277 0.209,1278 1.115,1279 4.205,1281 5.525,1282 2.398,1283 7.045,1284 4.727,1285 8.654,1286 6.843,1287 10.309,1295 2.985,1296 2.789,1297 5.373,1300 2.049,1305 31.939,1306 78.764,1307 189.349,1308 228.568,1309 244.078,1310 246.078,1311 246.078,1312 40.133,1313 8.121,1314 97.14,1315 97.14,1316 29,1317 12.665,1318 4.322,1319 3.585,1320 39.63,1321 119,1322 110,1323 0.163,1324 191.929,1325 332.33,1326 460.066,1327 41800,1329 19.631,1330 0.677,1331 0.54,1332 19.631,1333 15.668,1334 14.259,1335 0.432,1336 0.288,1337 9.317,1338 13.57,1339 9.193,1340 7.514,1341 14.259,1342 9.489,1343 12.826,1344 0.279,1345 0.148,1346 12.826,1347 6.801,1348 10.825,1349 0.175,1350 0.078,1351 10.825,1352 4.835,1353 9.76,1354 0.113,1355 0.04,1356 9.76,1357 3.474,1358 7.987,1359 0.073,1360 0.022,1361 7.987,1362 2.352,1363 0.256,1364 90.203,1365 0.208,1366 27.535,1367 0.444,1368 158,1369 496.12,1370 177.819,1371 469.638,1372 651.05,1373 444,1374 187,1375 487.714,1376 206.795,1377 485.722,1378 717.4,1379 460,1380 5.477}
{0 CHEMBL2064415,1 1.641,2 11.621,3 1.688,4 2.849,5 105.433,6 8.114,7 0.485,8 4.015,9 4.12,10 3.666,11 3.533,12 5.147,13 3.551,14 4.554,15 4.705,16 4.03,17 3.914,18 5.688,19 3.918,20 4.762,21 4.955,22 4.019,23 4.018,24 5.811,25 3.992,26 4.731,27 4.933,28 3.999,29 4.005,30 5.815,31 3.952,32 4.726,33 4.928,34 3.975,35 3.948,36 5.814,37 3.919,38 4.7,39 4.885,40 3.921,41 3.885,42 5.874,43 3.848,44 4.619,45 4.842,46 3.747,47 3.728,48 5.714,49 3.686,50 4.474,51 4.706,52 3.577,53 3.601,54 5.474,55 3.562,56 0.077,57 0.748,58 8.351,59 4.024,60 7.112,61 4.785,62 0.398,63 1.203,64 17.26,65 6.626,66 27.585,67 8.061,68 0.557,69 1.406,70 24.055,71 7.993,72 41.259,73 10.032,74 0.505,75 1.379,76 22.777,77 8.689,78 39.956,79 11.668,80 0.462,81 1.341,82 23.286,83 8.028,84 42.335,85 10.414,86 0.629,87 1.251,88 22.668,89 8.032,90 60.06,91 10.126,92 0.561,93 1.124,94 22.849,95 7.264,96 55.284,97 9.624,98 0.449,99 0.974,100 20.276,101 6.202,102 36.073,103 8.086,104 2,105 46,106 0.275,107 0.66,108 0.803,109 0.851,110 0.858,111 0.858,112 3.408,113 0.862,114 -3.38,115 -3.36,116 -3.22,119 43.8,121 1,125 4,135 1,139 1,142 5,143 2,145 2,146 1,152 1,158 2,161 1,172 6,174 2,175 10,178 2,180 2,183 5,186 1,187 7,195 4,198 4,199 7,202 3,207 6,211 2,212 4,220 5,223 5,224 6,229 2,232 2,236 1,237 5,240 1,242 3,245 1,250 5,255 1,258 2,262 3,263 7,266 1,268 1,271 3,275 1295,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 17.808,282 17.74,283 12.142,284 20.645,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.737,291 22.177,292 5.866,293 17.137,294 3.944,295 1.642,296 0.784,297 0.5,298 0.458,299 0.458,300 4.124,303 1,304 1,305 1,306 756,307 2.345,310 58.02,311 339.764,314 113.778,318 1.66,319 28.501,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 337,332 4.614,333 3.582,334 6.717,335 4.159,336 3.175,337 4.56,338 1.528,339 10.957,340 3.125,341 4.259,342 3.22,343 6.203,344 3.885,345 2.946,346 3.648,347 1.005,348 9.332,349 2.772,350 4.006,351 3.125,352 5.859,353 3.613,354 2.636,355 3.573,356 0.864,357 8.246,358 2.578,359 3.672,360 2.937,361 5.51,362 3.395,363 2.444,364 2.947,365 0.86,366 7.345,367 2.311,368 3.488,369 2.583,370 5.084,371 3.128,372 2.132,373 2.671,374 0.367,375 6.109,376 2.115,377 3.321,378 2.312,379 4.708,380 2.806,381 1.828,382 2.573,383 0.052,384 5.066,385 1.78,386 3.185,387 2.108,388 4.634,389 2.687,390 1.735,391 2.446,393 4.721,394 1.656,395 2.904,396 1.755,397 4.342,398 2.611,399 1.685,400 2.024,402 4.212,403 1.543,404 2.847,405 1.536,406 4.04,407 2.365,408 1.384,409 1.87,411 3.433,412 1.356,413 2.705,414 1.416,415 3.539,416 2.195,417 1.219,418 1.802,420 2.788,421 1.188,422 2.5,423 1.256,424 3.491,425 1.956,426 1.068,427 1.5,428 2.607,429 0.953,430 2.213,431 1.221,432 3.247,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.956,448 0.721,449 3.211,450 1.439,451 0.47,452 0.695,454 1.269,455 0.455,456 1.318,457 0.472,458 2.961,459 0.92,460 -0.052,461 -0.06,463 -0.152,464 -0.05,465 13.5,466 0.466,467 0.585,468 0.02,469 39,470 1.345,471 18.5,472 0.638,473 20.5,474 0.707,475 21.896,476 0.755,477 30.3,478 0.631,479 29.053,480 1.002,481 7.976,482 0.275,483 6.283,484 0.217,485 0.025,487 0.326,493 0.83,494 1.416,495 0.682,496 1.124,497 0.606,498 0.914,499 1.037,500 1.087,501 0.879,502 0.962,503 0.685,504 0.901,505 1.291,506 0.964,507 1.076,508 0.839,509 1.089,510 0.89,511 0.583,512 0.978,513 0.893,514 1.049,515 0.642,516 1.038,517 1.069,518 1.046,519 0.975,520 0.988,521 1.138,522 0.958,523 1.098,524 1.092,525 1.078,526 1.112,527 1.42,528 1.105,529 1.141,530 1.004,531 0.982,532 0.93,533 1.424,534 0.923,535 1.385,536 0.848,537 1.008,538 0.743,539 0.956,540 0.783,541 5,542 0.134,543 2.222,544 2.069,545 1.089,546 0.99,547 0.489,548 0.298,549 0.198,550 0.196,551 11756,552 32006,553 2.215,554 39.6,556 14,558 2,559 1,560 2,564 1.719,565 2.148,566 3.516,567 -0.302,568 1,569 1,573 78.764,574 1.641,575 3.943,576 4.801,577 5.085,578 5.127,579 5.127,580 2.918,581 4.487,582 4.831,583 3.646,584 1480.22,585 8.413,586 19963.4,588 1,590 1,591 268.078,592 1.091,593 4.82,594 0.152,595 0.006,596 0.048,597 0.046,598 0.025,599 0.024,600 0.013,601 0.009,602 0.007,603 0.007,604 0.337,605 0.33,606 0.88,607 0.335,608 147.302,609 -0.061,610 -0.277,611 0.07,612 -0.125,613 -0.026,614 -0.022,615 -0.012,616 0.002,617 -0.004,618 -0.005,619 0.037,620 -0.008,621 -0.231,622 0.072,623 -0.12,624 0.109,625 -0.164,626 0.038,627 0.211,628 0.04,629 0.04,630 -0.066,631 0.131,632 -0.058,633 -0.081,634 -0.033,635 -0.009,636 -0.03,637 -0.09,638 -0.004,639 0.084,640 -0.117,641 -0.096,642 -0.143,643 0.012,644 -0.16,645 0.002,646 -0.061,647 0.063,648 0.031,649 -0.039,650 0.058,651 -0.233,652 0.097,653 0.048,654 0.215,655 -0.097,656 0.2,657 1.858,658 5.144,659 0.931,660 26.516,661 1.014,662 1.126,663 2.151,664 4.627,665 0.682,666 3.526,667 3.85,668 4.143,669 4.466,670 4.7,671 4.771,672 4.942,673 5.088,674 5.182,675 5.298,676 6.76,677 0.665,678 389.45,679 3.526,680 5.069,681 5.927,682 6.812,683 7.687,684 8.579,685 9.461,686 10.356,687 11.242,688 12.139,689 10.4,692 1,696 1,698 1,699 2,703 2,704 7,705 2,707 1,709 3,711 16,731 48,733 19,734 1,735 33,737 52,738 21,739 12,740 3,741 3,742 4,746 5,747 6,758 1,761 16,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 19,782 8,783 1,784 8,790 5,791 1,794 0.8,795 3,799 1,805 1,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 5,855 1,856 1,859 1,870 6.3,873 1,874 1,875 1,877 13.5,878 8.717,879 6.278,880 2.882,881 3.794,882 1.467,883 1.028,884 4.841,885 11.915,886 3.807,887 4.404,888 5.006,889 5.651,890 6.179,891 6.52,892 6.991,893 7.448,894 7.752,895 8.155,896 0.875,897 45,898 10.717,900 4.638,901 7.718,902 20.455,904 16.966,905 2.218,906 64.333,910 211.88,911 118.615,912 71.492,914 45.652,917 118.615,918 257.532,919 71.492,921 33.941,922 56.857,923 105.311,924 58.355,925 4.836,926 188.338,928 211.88,929 190.107,930 45.652,933 211.88,934 34.652,935 11,937 79.11,938 67.949,939 43.047,941 211.88,942 117.144,943 118.615,946 211.88,947 43.663,948 78.077,949 18.011,950 96.009,951 211.88,952 117.144,953 118.615,955 0.576,956 0.335,957 0.197,958 0.11,959 24,960 9,961 0.077,962 4,963 1,964 1.074,965 4.171,966 265.131,967 0.074,968 27,969 136.881,974 18.043,975 7.78,976 3.795,977 1.454,978 117.144,979 13.215,980 8.851,982 5.932,984 2.423,986 18.011,987 447.639,988 44,993 12.144,995 1.515,996 4.608,997 0.983,999 48.676,1000 54.026,1001 0.294,1002 0.706,1003 0.86,1004 0.91,1005 0.918,1006 0.918,1007 5.043,1008 1.685,1009 5.894,1010 4.721,1011 4.533,1012 5.091,1013 2.316,1014 6.698,1015 4.455,1016 6.24,1017 1.384,1018 7.435,1019 4.212,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.919,1025 7.543,1026 1.219,1027 9.077,1028 3.433,1029 6.107,1030 7.286,1031 2.547,1032 10.678,1033 5.964,1034 8.881,1035 1.068,1036 10.78,1037 2.788,1038 6.431,1039 7.9,1040 1.926,1041 12.39,1042 6.28,1043 10.254,1044 1,1045 12.525,1046 2.607,1047 7.969,1048 9.812,1049 3.017,1050 15.023,1051 7.77,1052 11.652,1053 1,1054 14.299,1055 2.136,1056 8.708,1057 10.875,1058 2.824,1059 17.107,1060 8.499,1061 13.071,1062 0.47,1063 16.094,1064 2.136,1065 10.002,1066 12.548,1067 3.646,1068 19.564,1069 9.756,1070 3.175,1071 -0.052,1072 17.906,1073 1.269,1074 10.946,1075 13.841,1076 3.721,1077 21.81,1078 10.687,1079 2.946,1080 10.957,1081 19.731,1082 -0.152,1083 12.137,1084 15.412,1085 4.375,1086 24.208,1087 11.849,1088 2.636,1089 9.332,1090 21.566,1091 4.56,1092 13.179,1093 16.819,1094 4.604,1095 26.527,1096 12.878,1097 2.444,1098 8.246,1099 23.41,1100 3.648,1101 14.329,1102 18.349,1103 5.16,1104 28.908,1105 14.006,1106 2.132,1107 7.345,1108 25.261,1109 3.573,1110 15.418,1111 19.811,1112 5.476,1113 31.26,1114 15.082,1115 1.828,1116 6.109,1117 27.118,1118 2.947,1119 16.555,1120 21.328,1121 5.975,1122 33.64,1123 16.201,1124 1.735,1125 5.066,1126 28.981,1127 2.671,1128 17.667,1129 22.816,1130 6.339,1131 36.009,1132 17.301,1133 10758,1134 17905,1135 23.057,1136 32.722,1137 50.004,1138 50.642,1139 49.944,1140 49.386,1141 49.443,1142 64.927,1143 9.351,1144 140.71,1145 47.424,1146 5.614,1147 5.582,1148 6.519,1149 5.262,1150 5.175,1151 7.56,1152 2.695,1153 18.158,1154 5.125,1155 6.943,1156 1.515,1157 1.535,1158 1.513,1159 1.497,1160 1.498,1161 1.967,1162 0.283,1163 4.264,1164 1.437,1165 4.118,1166 4.134,1167 4.092,1168 4.008,1169 7.43,1170 4.023,1171 3.892,1172 3.941,1173 3.84,1174 3.71,1175 5.207,1176 3.735,1177 3.797,1178 3.835,1179 3.739,1180 3.661,1181 4.886,1182 3.675,1183 3.656,1184 3.707,1185 3.552,1186 3.446,1187 4.751,1188 3.463,1189 3.399,1190 3.434,1191 3.318,1192 3.241,1193 4.576,1194 3.256,1195 3.111,1196 3.206,1197 2.959,1198 2.941,1199 4.358,1200 2.91,1201 3.037,1202 3.084,1203 2.876,1204 2.873,1205 3.961,1206 2.878,1207 2.965,1208 3.009,1209 2.869,1210 2.861,1211 3.893,1212 2.863,1213 0.14,1214 0.109,1215 0.204,1216 0.126,1217 0.096,1218 4.614,1219 0.138,1220 3.582,1221 0.046,1222 6.717,1223 0.332,1224 4.159,1225 0.095,1226 3.175,1227 4.56,1228 1.528,1229 10.957,1230 3.125,1231 1.972,1232 1.953,1233 2.048,1234 2.055,1235 1.209,1236 2.054,1237 1.804,1238 1.757,1239 1.949,1240 2.026,1241 1.169,1242 2.003,1243 1.708,1244 1.674,1245 1.833,1246 1.861,1247 0.956,1248 1.846,1249 1.61,1250 1.559,1251 1.784,1252 1.834,1253 0.854,1254 1.828,1255 1.371,1256 1.343,1257 1.521,1258 1.606,1259 0.825,1260 1.571,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.619,1266 1.429,1267 0.984,1268 0.942,1269 1.186,1270 1.177,1271 0.28,1272 1.169,1273 0.902,1274 0.868,1275 1.073,1276 1.14,1277 0.209,1278 1.115,1279 4.205,1281 5.525,1282 2.398,1283 7.045,1284 4.727,1285 8.654,1286 6.843,1287 10.309,1295 2.993,1296 2.791,1297 5.374,1300 2.05,1305 31.939,1306 78.764,1307 189.249,1308 230.469,1309 244.078,1310 246.078,1311 246.078,1312 40.052,1313 8.121,1314 97.14,1315 97.14,1316 29,1317 12.665,1318 4.322,1319 3.585,1320 39.63,1321 119,1322 110,1323 0.163,1324 191.929,1325 332.33,1326 460.066,1327 41800,1329 19.631,1330 0.677,1331 0.54,1332 19.631,1333 15.668,1334 14.259,1335 0.432,1336 0.287,1337 9.306,1338 13.566,1339 9.179,1340 7.503,1341 14.259,1342 9.479,1343 12.826,1344 0.279,1345 0.148,1346 12.826,1347 6.828,1348 10.825,1349 0.175,1350 0.078,1351 10.825,1352 4.867,1353 9.76,1354 0.113,1355 0.041,1356 9.76,1357 3.501,1358 7.987,1359 0.073,1360 0.022,1361 7.987,1362 2.363,1363 0.256,1364 90.248,1365 0.208,1366 27.535,1367 0.444,1368 158,1369 496.12,1370 177.486,1371 469.829,1372 650.13,1373 444,1374 187,1375 485.362,1376 206.462,1377 484.324,1378 714,1379 458,1380 5}
{0 CHEMBL2064416,1 1.641,2 11.621,3 1.688,4 2.849,5 105.433,6 8.114,7 0.485,8 4.015,9 4.12,10 3.666,11 3.533,12 5.147,13 3.551,14 4.554,15 4.705,16 4.03,17 3.914,18 5.689,19 3.918,20 4.762,21 4.956,22 4.016,23 4.022,24 5.807,25 3.995,26 4.729,27 4.926,28 3.997,29 4.019,30 5.809,31 3.961,32 4.739,33 4.942,34 3.973,35 3.966,36 5.811,37 3.93,38 4.717,39 4.908,40 3.922,41 3.891,42 5.883,43 3.854,44 4.624,45 4.846,46 3.756,47 3.713,48 5.734,49 3.676,50 4.447,51 4.678,52 3.571,53 3.59,54 5.445,55 3.551,56 0.077,57 0.748,58 8.351,59 4.024,60 7.112,61 4.785,62 0.398,63 1.203,64 17.26,65 6.626,66 27.78,67 8.061,68 0.564,69 1.404,70 24.099,71 7.998,72 41.588,73 10.015,74 0.49,75 1.375,76 22.466,77 8.856,78 38.608,79 11.819,80 0.44,81 1.348,82 23.647,83 8.308,84 41.071,85 10.83,86 0.623,87 1.274,88 23.281,89 8.184,90 61.032,91 10.315,92 0.617,93 1.126,94 23.11,95 7.173,96 57.513,97 9.514,98 0.415,99 0.954,100 19.597,101 6.117,102 34.133,103 8.029,104 2,105 46,106 0.275,107 0.66,108 0.796,109 0.83,110 0.83,111 0.83,112 3.408,113 0.862,114 -3.38,115 -3.36,116 -3.22,119 43.8,121 1,125 4,135 1,139 1,142 5,143 2,145 2,146 1,152 1,158 2,161 1,172 6,174 2,175 10,178 2,180 2,183 6,186 1,187 6,195 4,198 4,199 8,202 3,207 6,211 1,212 4,220 5,223 5,224 5,229 2,232 2,236 2,237 5,240 1,242 3,250 7,255 2,258 2,262 2,263 6,271 3,275 1295,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 17.808,282 17.74,283 12.142,284 20.654,285 16.397,286 16.397,287 16.397,288 16.397,289 16.397,290 12.737,291 22.177,292 5.866,293 17.143,294 3.944,295 1.642,296 0.825,297 0.625,298 0.625,299 0.625,300 4.124,303 1,304 1,305 1,306 756,307 2.345,310 58.02,311 339.764,314 113.778,318 1.66,319 28.313,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 337,332 4.614,333 3.582,334 6.717,335 4.159,336 3.175,337 4.56,338 1.528,339 10.957,340 3.127,341 4.259,342 3.22,343 6.203,344 3.885,345 2.946,346 3.648,347 1.005,348 9.332,349 2.772,350 4.006,351 3.125,352 5.859,353 3.614,354 2.636,355 3.573,356 0.864,357 8.246,358 2.582,359 3.672,360 2.937,361 5.51,362 3.395,363 2.444,364 2.947,365 0.86,366 7.345,367 2.312,368 3.488,369 2.583,370 5.084,371 3.129,372 2.132,373 2.671,374 0.367,375 6.109,376 2.116,377 3.321,378 2.312,379 4.708,380 2.804,381 1.828,382 2.573,383 0.052,384 5.066,385 1.776,386 3.185,387 2.108,388 4.634,389 2.684,390 1.735,391 2.446,393 4.721,394 1.651,395 2.904,396 1.755,397 4.342,398 2.611,399 1.685,400 2.024,402 4.212,403 1.543,404 2.847,405 1.536,406 4.04,407 2.364,408 1.384,409 1.87,411 3.433,412 1.354,413 2.705,414 1.416,415 3.539,416 2.175,417 1.219,418 1.802,420 2.788,421 1.161,422 2.5,423 1.256,424 3.491,425 1.984,426 1.068,427 1.5,428 2.607,429 0.983,430 2.213,431 1.221,432 3.247,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.956,448 0.721,449 3.211,450 1.438,451 0.47,452 0.695,454 1.269,455 0.454,456 1.318,457 0.472,458 2.961,459 0.92,460 -0.052,461 -0.06,463 -0.152,464 -0.05,465 13.5,466 0.466,467 0.585,468 0.02,469 39,470 1.345,471 18.5,472 0.638,473 20.5,474 0.707,475 21.911,476 0.756,477 30.3,478 0.631,479 29.038,480 1.001,481 7.976,482 0.275,483 6.283,484 0.217,485 0.025,487 0.326,493 0.83,494 1.416,495 0.682,496 1.124,497 0.606,498 0.914,499 1.037,500 1.087,501 0.879,502 0.962,503 0.682,504 0.901,505 1.299,506 0.922,507 1.082,508 0.815,509 1.095,510 0.876,511 0.555,512 0.976,513 0.902,514 1.079,515 0.629,516 1.069,517 1.043,518 1.084,519 0.968,520 1.015,521 1.113,522 0.976,523 1.122,524 1.057,525 1.082,526 1.101,527 1.415,528 1.095,529 1.164,530 1.02,531 0.99,532 0.919,533 1.429,534 0.92,535 1.307,536 0.865,537 0.964,538 0.757,539 0.922,540 0.779,541 5,542 0.134,543 2.222,544 2.069,545 1.089,546 0.99,547 0.489,548 0.298,549 0.198,550 0.196,551 11756,552 32182,553 2.215,554 39.6,556 14,558 2,559 1,560 2,564 1.719,565 2.148,566 3.516,567 -0.302,568 1,569 1,573 78.764,574 1.641,575 3.943,576 4.76,577 4.96,578 4.96,579 4.96,580 2.918,581 4.487,582 4.831,583 3.646,584 1480.22,585 8.413,586 19963.4,588 1,590 1,591 268.078,592 1.091,593 4.82,594 0.152,595 0.006,596 0.048,597 0.046,598 0.025,599 0.024,600 0.013,601 0.009,602 0.007,603 0.007,604 0.337,605 0.33,606 0.88,607 0.335,608 147.302,609 -0.061,610 -0.277,611 0.07,612 -0.125,613 -0.026,614 -0.022,615 -0.012,616 0.002,617 -0.004,618 -0.005,619 0.04,620 -0.008,621 -0.239,622 0.114,623 -0.126,624 0.134,625 -0.171,626 0.053,627 0.22,628 0.037,629 0.021,630 -0.086,631 0.129,632 -0.083,633 -0.085,634 -0.086,635 -0.002,636 -0.044,637 -0.09,638 -0.008,639 0.053,640 -0.082,641 -0.093,642 -0.135,643 0.004,644 -0.148,645 0.037,646 -0.077,647 0.066,648 0.033,649 -0.021,650 0.052,651 -0.2,652 0.08,653 0.085,654 0.208,655 -0.074,656 0.211,657 1.856,658 5.145,659 0.931,660 26.516,661 1.014,662 1.126,663 2.151,664 4.627,665 0.682,666 3.526,667 3.85,668 4.143,669 4.466,670 4.7,671 4.771,672 4.942,673 5.088,674 5.182,675 5.298,676 6.76,677 0.665,678 389.45,679 3.526,680 5.069,681 5.927,682 6.812,683 7.687,684 8.579,685 9.461,686 10.356,687 11.242,688 12.139,689 10.4,692 1,696 1,698 1,699 2,703 2,704 7,705 2,707 1,709 3,711 16,731 48,733 19,734 1,735 33,737 52,738 21,739 12,740 3,741 3,742 4,746 5,747 6,758 1,761 16,762 5,766 3,771 1,773 1,774 1,775 3,778 1,781 19,782 8,783 1,784 8,790 5,791 1,794 0.8,795 3,799 1,805 1,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,848 29,854 5,855 1,856 1,859 1,870 6.3,873 1,874 1,875 1,877 13.5,878 8.717,879 6.278,880 2.882,881 3.794,882 1.467,883 1.028,884 4.841,885 11.915,886 3.807,887 4.404,888 5.006,889 5.651,890 6.179,891 6.52,892 6.991,893 7.448,894 7.752,895 8.155,896 0.875,897 45,898 10.716,900 4.636,901 7.718,902 20.455,904 16.966,905 2.218,906 64.333,910 211.88,911 118.615,912 71.492,914 45.652,917 118.615,918 257.532,919 71.492,921 33.941,922 56.857,923 105.311,924 58.355,925 4.836,926 188.338,928 211.88,929 190.107,930 45.652,933 211.88,934 34.652,935 11,937 79.11,938 67.949,939 43.047,941 211.88,942 117.144,943 118.615,946 211.88,947 43.663,948 78.077,949 18.011,950 96.009,951 211.88,952 117.144,953 118.615,955 0.576,956 0.335,957 0.197,958 0.11,959 24,960 9,961 0.077,962 4,963 1,964 1.074,965 4.171,966 265.131,967 0.074,968 27,969 132.881,974 18.043,975 7.78,976 3.795,977 1.473,978 117.144,979 13.204,980 8.743,982 5.937,984 2.499,986 18.011,987 447.639,988 44,993 12.145,995 1.516,996 4.61,997 0.988,999 48.676,1000 54.026,1001 0.294,1002 0.706,1003 0.852,1004 0.888,1005 0.888,1006 0.888,1007 5.043,1008 1.685,1009 5.894,1010 4.721,1011 4.533,1012 5.091,1013 2.316,1014 6.698,1015 4.455,1016 6.24,1017 1.384,1018 7.435,1019 4.212,1020 4.007,1021 4.82,1022 1.048,1023 7.535,1024 3.919,1025 7.543,1026 1.219,1027 9.077,1028 3.433,1029 6.107,1030 7.286,1031 2.547,1032 10.678,1033 5.965,1034 8.881,1035 1.068,1036 10.78,1037 2.788,1038 6.431,1039 7.9,1040 1.926,1041 12.39,1042 6.281,1043 10.254,1044 1,1045 12.525,1046 2.607,1047 7.969,1048 9.812,1049 3.017,1050 15.023,1051 7.772,1052 11.652,1053 1,1054 14.299,1055 2.136,1056 8.708,1057 10.875,1058 2.824,1059 17.107,1060 8.502,1061 13.071,1062 0.47,1063 16.094,1064 2.136,1065 10.002,1066 12.548,1067 3.646,1068 19.564,1069 9.759,1070 3.175,1071 -0.052,1072 17.906,1073 1.269,1074 10.946,1075 13.841,1076 3.721,1077 21.81,1078 10.691,1079 2.946,1080 10.957,1081 19.731,1082 -0.152,1083 12.137,1084 15.412,1085 4.375,1086 24.208,1087 11.854,1088 2.636,1089 9.332,1090 21.566,1091 4.56,1092 13.179,1093 16.819,1094 4.604,1095 26.527,1096 12.883,1097 2.444,1098 8.246,1099 23.41,1100 3.648,1101 14.329,1102 18.349,1103 5.16,1104 28.908,1105 14.012,1106 2.132,1107 7.345,1108 25.261,1109 3.573,1110 15.418,1111 19.811,1112 5.476,1113 31.26,1114 15.088,1115 1.828,1116 6.109,1117 27.118,1118 2.947,1119 16.555,1120 21.328,1121 5.975,1122 33.64,1123 16.207,1124 1.735,1125 5.066,1126 28.981,1127 2.671,1128 17.667,1129 22.816,1130 6.339,1131 36.009,1132 17.307,1133 10758,1134 17951,1135 23.057,1136 32.722,1137 50.004,1138 50.642,1139 49.944,1140 49.389,1141 49.443,1142 64.927,1143 9.351,1144 140.71,1145 47.42,1146 5.614,1147 5.582,1148 6.519,1149 5.263,1150 5.175,1151 7.56,1152 2.695,1153 18.158,1154 5.127,1155 6.943,1156 1.515,1157 1.535,1158 1.513,1159 1.497,1160 1.498,1161 1.967,1162 0.283,1163 4.264,1164 1.437,1165 4.118,1166 4.135,1167 4.092,1168 4.01,1169 7.43,1170 4.025,1171 3.893,1172 3.942,1173 3.841,1174 3.71,1175 5.206,1176 3.736,1177 3.796,1178 3.834,1179 3.738,1180 3.657,1181 4.889,1182 3.673,1183 3.656,1184 3.706,1185 3.552,1186 3.446,1187 4.751,1188 3.462,1189 3.398,1190 3.433,1191 3.317,1192 3.239,1193 4.576,1194 3.254,1195 3.111,1196 3.206,1197 2.958,1198 2.941,1199 4.364,1200 2.91,1201 3.036,1202 3.083,1203 2.87,1204 2.862,1205 3.975,1206 2.875,1207 2.944,1208 2.99,1209 2.866,1210 2.791,1211 3.893,1212 2.8,1213 0.14,1214 0.109,1215 0.204,1216 0.126,1217 0.096,1218 4.614,1219 0.138,1220 3.582,1221 0.046,1222 6.717,1223 0.332,1224 4.159,1225 0.095,1226 3.175,1227 4.56,1228 1.528,1229 10.957,1230 3.127,1231 1.975,1232 1.956,1233 2.051,1234 2.055,1235 1.209,1236 2.055,1237 1.804,1238 1.757,1239 1.949,1240 2.026,1241 1.174,1242 2.003,1243 1.702,1244 1.668,1245 1.825,1246 1.861,1247 0.956,1248 1.845,1249 1.61,1250 1.559,1251 1.784,1252 1.832,1253 0.846,1254 1.826,1255 1.37,1256 1.342,1257 1.52,1258 1.606,1259 0.825,1260 1.571,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.618,1266 1.429,1267 0.938,1268 0.892,1269 1.181,1270 1.173,1271 0.218,1272 1.153,1273 0.9,1274 0.867,1275 1.114,1276 1.131,1277 0.211,1278 1.107,1279 4.205,1281 5.525,1282 2.398,1283 7.045,1284 4.727,1285 8.654,1286 6.843,1287 10.309,1295 2.999,1296 2.793,1297 5.374,1300 2.051,1305 31.939,1306 78.764,1307 189.249,1308 228.469,1309 238.078,1310 238.078,1311 238.078,1312 39.841,1313 8.121,1314 97.14,1315 97.14,1316 29,1317 12.665,1318 4.322,1319 3.585,1320 39.63,1321 119,1322 110,1323 0.163,1324 191.929,1325 332.33,1326 460.066,1327 41800,1329 19.631,1330 0.677,1331 0.54,1332 19.631,1333 15.668,1334 14.259,1335 0.432,1336 0.287,1337 9.306,1338 13.562,1339 9.18,1340 7.501,1341 14.259,1342 9.479,1343 12.826,1344 0.279,1345 0.148,1346 12.826,1347 6.822,1348 10.825,1349 0.175,1350 0.079,1351 10.825,1352 4.886,1353 9.76,1354 0.113,1355 0.041,1356 9.76,1357 3.51,1358 7.987,1359 0.073,1360 0.022,1361 7.987,1362 2.367,1363 0.256,1364 90.248,1365 0.208,1366 27.535,1367 0.444,1368 158,1369 496.12,1370 177.486,1371 469.698,1372 650.09,1373 444,1374 187,1375 485.362,1376 206.295,1377 484.028,1378 713.56,1379 458,1380 5}
{0 CHEMBL2064417,1 1.705,2 11.667,3 3.044,4 9.267,5 107.807,6 8.295,7 0.471,8 4.036,9 4.135,10 3.698,11 3.564,12 5.193,13 3.583,14 4.578,15 4.721,16 4.078,17 3.946,18 5.759,19 3.955,20 4.805,21 4.996,22 4.096,23 4.049,24 5.93,25 4.036,26 4.774,27 4.967,28 4.107,29 4.033,30 5.989,31 4.002,32 4.772,33 4.962,34 4.088,35 3.982,36 6.012,37 3.976,38 4.746,39 4.927,40 3.978,41 3.926,42 5.971,43 3.9,44 4.673,45 4.89,46 3.792,47 3.762,48 5.828,49 3.73,50 4.503,51 4.729,52 3.668,53 3.631,54 5.614,55 3.597,56 0.11,57 0.802,58 8.077,59 4.304,60 9.989,61 4.864,62 0.434,63 1.299,64 16.945,65 7.18,66 29.19,67 8.318,68 0.672,69 1.579,70 24.97,71 8.691,72 55.666,73 10.24,74 0.641,75 1.602,76 23.464,77 9.298,78 56.855,79 11.72,80 0.69,81 1.555,82 24.158,83 8.683,84 67.65,85 10.34,86 0.719,87 1.408,88 23.469,89 8.715,90 75.78,91 10.223,92 0.732,93 1.262,94 24.277,95 7.857,96 78.098,97 9.629,98 0.594,99 1.08,100 20.785,101 6.639,102 50.308,103 8.563,104 5,105 48,106 0.284,107 0.654,108 0.771,109 0.824,110 0.834,111 0.834,112 3.441,113 0.859,114 -4.72,115 -4.64,116 -4.36,119 44.9,121 1,125 4,135 1,139 1,142 7,143 2,144 1,146 1,152 1,158 2,161 1,172 8,174 2,175 8,178 2,180 2,183 9,186 1,187 4,195 7,198 4,199 6,202 3,207 7,211 1,212 5,220 6,223 4,224 7,229 2,232 5,236 1,237 4,240 1,242 2,245 3,250 6,255 2,258 3,262 2,263 6,268 2,271 2,275 1410,276 20.67,277 20.67,278 20.67,279 20.67,280 20.67,281 18.255,282 19.368,283 12.33,284 21.131,285 16.87,286 16.87,287 16.87,288 16.87,289 16.87,290 13.13,291 22.839,292 5.949,293 17.622,294 3.91,295 1.691,296 0.988,297 0.668,298 0.612,299 0.612,300 4.153,304 1,305 1,306 781,307 2.449,310 60.877,311 352.648,314 118.455,318 1.644,319 38.532,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 66.5,331 350,332 4.671,333 3.582,334 6.89,335 4.225,336 3.245,337 4.617,338 1.528,339 11.533,340 3.179,341 4.262,342 3.356,343 6.203,344 3.889,345 2.949,346 3.678,347 1.005,348 9.335,349 2.776,350 4.049,351 3.144,352 5.952,353 3.647,354 2.674,355 3.602,356 0.864,357 8.488,358 2.605,359 3.684,360 2.995,361 5.512,362 3.396,363 2.445,364 3.088,365 0.86,366 7.358,367 2.315,368 3.564,369 2.682,370 5.116,371 3.171,372 2.189,373 2.777,374 0.367,375 6.152,376 2.146,377 3.427,378 2.419,379 5.02,380 2.995,381 2.018,382 2.595,383 0.052,384 5.699,385 1.95,386 3.187,387 2.31,388 4.668,389 2.697,390 1.745,391 2.466,393 4.963,394 1.667,395 3.094,396 2.057,397 4.583,398 2.643,399 1.686,400 2.293,402 4.517,403 1.6,404 2.886,405 1.701,406 4.341,407 2.579,408 1.636,409 1.88,411 4.208,412 1.52,413 2.752,414 1.525,415 3.698,416 2.265,417 1.278,418 1.863,420 2.969,421 1.26,422 2.5,423 1.295,424 3.491,425 2,426 1.069,427 1.5,428 2.608,429 1,430 2.213,431 1.256,432 3.332,433 1.952,434 1,435 1.154,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.949,442 1,443 1,445 2.136,446 0.934,447 1.992,448 0.724,449 3.247,450 1.479,451 0.51,452 0.751,454 1.357,455 0.492,456 1.399,457 0.665,458 2.991,459 1.027,460 0.086,461 0.105,463 0.231,464 0.079,465 13.886,466 0.463,467 0.674,468 0.022,469 39.25,470 1.308,471 18.5,472 0.617,473 20.75,474 0.692,475 23.685,476 0.79,477 31.714,478 0.647,479 30.809,480 1.027,481 8.114,482 0.27,483 6.556,484 0.219,485 0.045,487 0.353,491 1,493 0.725,494 1.193,495 0.655,496 1.085,497 0.547,498 0.899,499 0.88,500 1.025,501 0.828,502 0.989,503 0.597,504 0.918,505 1.192,506 0.972,507 1.037,508 0.834,509 0.998,510 0.867,511 0.691,512 1.01,513 0.856,514 1.041,515 0.793,516 1.01,517 1.094,518 1.137,519 0.965,520 0.991,521 1.188,522 0.941,523 1.125,524 1.057,525 1.112,526 1.103,527 1.249,528 1.109,529 1.214,530 0.97,531 1.089,532 0.922,533 1.322,534 0.954,535 1.018,536 0.719,537 0.906,538 0.764,539 0.68,540 0.798,541 5.5,542 0.18,543 2.444,544 2.507,545 1.44,546 1.154,547 0.544,548 0.36,549 0.211,550 0.244,551 12543,552 36019,553 2.186,554 38.8,556 16,559 1,560 2,564 1.729,565 2.093,566 3.511,567 -0.316,568 1,569 1,573 83.548,574 1.705,575 3.923,576 4.627,577 4.946,578 5.002,579 5.002,580 2.911,581 4.507,582 4.881,583 3.65,584 1587.67,585 8.515,586 21841.7,588 1,590 1,591 275.121,592 1.231,593 4.859,594 0.162,595 0.007,596 0.051,597 0.052,598 0.031,599 0.025,600 0.014,601 0.011,602 0.007,603 0.008,604 0.367,605 0.17,606 0.88,607 0.424,608 153.704,609 -0.054,610 -0.179,611 0.057,612 -0.093,613 -0.033,614 -0.009,615 -0.007,616 -0.047,617 0.012,618 -0.033,619 0.029,620 -0.019,621 -0.198,622 0.023,623 -0.087,624 0.109,625 -0.117,626 0.062,627 0.181,628 0.028,629 0.08,630 -0.064,631 0.109,632 -0.041,633 -0.026,634 -0.059,635 0.006,636 -0.028,637 -0.041,639 -0.032,640 -0.093,641 -0.141,642 -0.138,643 -0.067,644 -0.165,645 -0.092,646 -0.024,647 -0.042,648 0.03,649 -0.125,650 0.017,651 -0.023,652 0.142,653 0.134,654 0.189,655 0.057,656 0.197,657 2.033,658 6.596,659 0.9,660 27.667,661 1.02,662 1.128,663 3.494,664 12.209,665 0.682,666 3.555,667 3.892,668 4.19,669 4.522,670 4.762,671 4.844,672 5.011,673 5.159,674 5.242,675 5.361,676 6.808,677 0.67,678 406.45,679 3.555,680 5.106,681 5.969,682 6.862,683 7.742,684 8.642,685 9.53,686 10.433,687 11.326,688 12.231,689 8.2,692 1,696 1,698 1,699 1,703 2,704 7,705 1,707 1,709 4,711 16,730 1,731 49,733 19,734 2,735 34,737 53,738 22,739 13,740 5,741 7,742 4,746 5,747 6,758 1,761 17,762 5,766 3,771 1,773 1,774 1,775 3,778 1,779 1,781 19,782 8,783 1,784 8,790 4,791 1,794 0.8,795 3,799 1,811 1,812 4,815 1,826 1,831 1,836 1,839 1,840 4,846 1,848 30,854 5,855 1,856 1,859 1,869 1,870 6.1,873 1,874 1,875 1,877 14.333,878 8.91,879 6.472,880 2.958,881 3.762,882 1.46,883 1.031,884 5.072,885 11.943,886 3.829,887 4.44,888 5.046,889 5.701,890 6.244,891 6.606,892 7.07,893 7.526,894 7.817,895 8.212,896 0.875,897 48,898 11.158,900 4.924,901 7.867,902 21.006,904 17.523,905 2.367,906 71,909 1,910 211.88,911 128.594,912 54.706,914 45.652,915 14.96,917 128.594,918 257.532,919 69.666,921 33.941,922 75.81,923 64.983,924 49.381,925 19.796,926 211.88,928 211.88,929 183.3,930 60.612,933 226.84,934 34.652,935 11,937 61.015,938 96.023,939 26.262,941 226.84,942 100.358,943 128.594,946 211.88,947 52.784,948 78.934,949 18.011,950 94.183,951 211.88,952 115.318,953 128.594,955 0.58,956 0.339,957 0.199,958 0.112,959 25,960 10,961 0.075,962 4,963 1,964 1.074,965 4.193,966 280.119,967 0.074,968 27,969 139.207,974 18.981,975 8.017,976 3.898,977 0.93,978 115.318,979 12.168,980 4.515,982 5.841,984 1.109,986 18.011,987 455.792,988 45,993 12.146,995 1.476,996 4.562,997 0.801,999 49.971,1000 55.283,1001 0.304,1002 0.699,1003 0.824,1004 0.881,1005 0.891,1006 0.891,1007 5.075,1008 1.686,1009 5.948,1010 4.963,1011 4.575,1012 5.127,1013 2.316,1014 6.77,1015 4.495,1016 6.282,1017 1.636,1018 7.503,1019 4.517,1020 4.111,1021 4.924,1022 1.048,1023 7.656,1024 4,1025 7.594,1026 1.278,1027 9.158,1028 4.208,1029 6.168,1030 7.34,1031 2.547,1032 10.806,1033 6.021,1034 8.941,1035 1.069,1036 10.875,1037 2.969,1038 6.538,1039 8.001,1040 1.926,1041 12.574,1042 6.362,1043 10.322,1044 1,1045 12.634,1046 2.608,1047 8.052,1048 9.885,1049 3.017,1050 15.233,1051 7.845,1052 11.728,1053 1,1054 14.422,1055 2.136,1056 8.827,1057 10.98,1058 2.824,1059 17.381,1060 8.594,1061 13.155,1062 0.51,1063 16.234,1064 2.136,1065 10.116,1066 12.642,1067 3.646,1068 19.877,1069 9.855,1070 3.245,1071 0.086,1072 18.063,1073 1.357,1074 11.09,1075 13.959,1076 3.721,1077 22.19,1078 10.806,1079 2.949,1080 11.533,1081 19.907,1082 0.231,1083 12.287,1084 15.53,1085 4.375,1086 24.636,1087 11.98,1088 2.674,1089 9.335,1090 21.763,1091 4.617,1092 13.356,1093 16.956,1094 4.604,1095 27.018,1096 13.028,1097 2.445,1098 8.488,1099 23.629,1100 3.678,1101 14.52,1102 18.493,1103 5.16,1104 29.453,1105 14.171,1106 2.189,1107 7.358,1108 25.504,1109 3.602,1110 15.634,1111 19.971,1112 5.476,1113 31.866,1114 15.266,1115 2.018,1116 6.152,1117 27.385,1118 3.088,1119 16.789,1120 21.497,1121 5.975,1122 34.3,1123 16.402,1124 1.745,1125 5.699,1126 29.273,1127 2.777,1128 17.926,1129 23,1130 6.339,1131 36.728,1132 17.521,1133 11548,1134 19732,1135 23.463,1136 33.415,1137 51.656,1138 52.583,1139 51.876,1140 51.065,1141 51.061,1142 66.736,1143 9.351,1144 147.379,1145 48.937,1146 5.671,1147 5.582,1148 6.692,1149 5.329,1150 5.245,1151 7.617,1152 2.695,1153 18.816,1154 5.179,1155 10.025,1156 1.519,1157 1.547,1158 1.526,1159 1.502,1160 1.502,1161 1.963,1162 0.275,1163 4.335,1164 1.439,1165 4.126,1166 4.14,1167 4.105,1168 4.021,1169 8.201,1170 4.036,1171 3.895,1172 3.943,1173 3.843,1174 3.749,1175 7.43,1176 3.758,1177 3.825,1178 3.854,1179 3.758,1180 3.691,1181 5.189,1182 3.713,1183 3.659,1184 3.709,1185 3.555,1186 3.448,1187 4.751,1188 3.465,1189 3.417,1190 3.446,1191 3.366,1192 3.242,1193 4.741,1194 3.264,1195 3.111,1196 3.206,1197 2.994,1198 2.941,1199 4.574,1200 2.91,1201 3.054,1202 3.094,1203 2.886,1204 2.89,1205 4.188,1206 2.894,1207 2.976,1208 3.02,1209 2.87,1210 2.86,1211 3.93,1212 2.873,1213 0.137,1214 0.105,1215 0.203,1216 0.124,1217 0.095,1218 4.671,1219 0.136,1220 3.582,1221 0.045,1222 6.89,1223 0.339,1224 4.225,1225 0.093,1226 3.245,1227 4.617,1228 1.528,1229 11.533,1230 3.179,1231 1.989,1232 1.973,1233 2.067,1234 2.062,1235 1.209,1236 2.062,1237 1.804,1238 1.758,1239 1.949,1240 2.026,1241 1.194,1242 2.003,1243 1.754,1244 1.729,1245 1.863,1246 1.866,1247 0.956,1248 1.863,1249 1.611,1250 1.56,1251 1.785,1252 1.844,1253 0.937,1254 1.834,1255 1.372,1256 1.345,1257 1.521,1258 1.607,1259 0.825,1260 1.572,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.619,1266 1.429,1267 0.993,1268 0.953,1269 1.182,1270 1.18,1271 0.289,1272 1.17,1273 0.886,1274 0.852,1275 1.181,1276 1.142,1277 0.218,1278 1.115,1279 4.234,1281 5.565,1282 2.398,1283 7.093,1284 4.727,1285 8.712,1286 6.843,1287 10.381,1291 14.596,1295 2.75,1296 2.739,1297 5.357,1300 2.011,1305 32.828,1306 83.548,1307 192.25,1308 226.714,1309 242.366,1310 245.121,1311 245.121,1312 52.215,1313 8.181,1314 84.25,1315 84.25,1316 29,1317 12.752,1318 4.322,1319 3.585,1320 41.595,1321 124,1322 118,1323 0.164,1324 195.925,1325 344.7,1326 469.817,1327 44156,1328 2,1329 20.501,1330 0.683,1331 0.537,1332 19.631,1333 16.099,1334 14.67,1335 0.431,1336 0.286,1337 9.553,1338 13.939,1339 9.435,1340 7.696,1341 14.259,1342 9.735,1343 13.364,1344 0.278,1345 0.147,1346 12.826,1347 7.069,1348 11.246,1349 0.173,1350 0.078,1351 10.825,1352 5.048,1353 10.154,1354 0.112,1355 0.04,1356 9.76,1357 3.646,1358 8.328,1359 0.072,1360 0.021,1361 7.987,1362 2.473,1363 0.258,1364 93.079,1365 0.206,1366 28.231,1367 0.451,1368 164,1369 570.586,1370 185.929,1371 514.61,1372 700.72,1373 484,1374 195,1375 515.583,1376 216.455,1377 508.197,1378 752.67,1379 481,1380 5}
{0 CHEMBL2064418,1 1.676,2 9.391,3 1.32,4 1.743,5 82.454,6 8.009,7 0.385,8 3.813,9 3.919,10 3.451,11 3.29,12 4.924,13 3.316,14 4.366,15 4.521,16 3.815,17 3.659,18 5.501,19 3.672,20 4.565,21 4.77,22 3.748,23 3.726,24 5.61,25 3.706,26 4.481,27 4.696,28 3.659,29 3.668,30 5.551,31 3.604,32 4.405,33 4.62,34 3.572,35 3.552,36 5.458,37 3.517,38 4.366,39 4.559,40 3.57,41 3.5,42 5.565,43 3.47,44 4.323,45 4.552,46 3.447,47 3.365,48 5.466,49 3.342,50 4.151,51 4.38,52 3.219,53 3.238,54 5.17,55 3.205,56 0.085,57 0.609,58 7.141,59 3.258,60 5.943,61 3.979,62 0.39,63 0.965,64 15.007,65 5.348,66 24.912,67 6.754,68 0.571,69 1.091,70 20.911,71 6.003,72 39.78,73 7.95,74 0.502,75 1.011,76 18.806,77 6.562,78 36.97,79 9.09,80 0.403,81 0.912,82 17.821,83 5.565,84 34.34,85 7.623,86 0.51,87 0.854,88 16.87,89 5.55,90 50.232,91 7.334,92 0.521,93 0.789,94 17.59,95 4.826,96 48.993,97 6.731,98 0.388,99 0.649,100 15.012,101 4.318,102 29.282,103 5.71,104 2,105 36,106 0.297,107 0.678,108 0.791,109 0.827,110 0.837,111 0.837,112 3.189,113 0.871,114 -3.19,115 -3.18,116 -3.06,119 41,121 1,125 4,135 1,139 1,142 4,146 1,152 1,158 2,161 1,172 3,174 2,175 8,178 2,180 2,183 2,186 1,187 4,195 1,198 4,199 4,202 3,207 3,211 1,212 1,220 2,223 4,224 4,229 2,236 1,237 3,240 1,242 2,250 4,258 2,262 2,263 4,271 2,275 708,276 15.894,277 15.894,278 15.894,279 15.894,280 15.894,281 14.212,282 17.74,283 9.58,284 16.308,285 12.926,286 12.926,287 12.926,288 12.926,289 12.926,290 10.266,291 22.177,292 4.65,293 13.577,294 3.609,295 1.457,296 0.821,297 0.615,298 0.564,299 0.564,300 3.892,303 1,304 1,305 1,306 482,307 2.121,310 45.504,311 201.261,314 90.147,318 1.452,319 24.385,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 216,332 4.465,333 3.581,334 6.252,335 3.98,336 3.011,337 4.403,338 1.528,339 9.52,340 2.928,341 4.251,342 3.165,343 6.197,344 3.866,345 2.921,346 3.631,347 1.005,348 9.302,349 2.756,350 3.687,351 3.071,352 5.525,353 3.425,354 2.481,355 2.936,356 0.864,357 7.442,358 2.334,359 3.487,360 2.825,361 5.082,362 3.149,363 2.151,364 2.635,365 0.86,366 6.141,367 2.135,368 3.275,369 2.328,370 4.674,371 2.762,372 1.788,373 2.48,374 0.367,375 5.032,376 1.73,377 3.032,378 2.13,379 4.414,380 2.618,381 1.709,382 2.298,383 0.052,384 4.312,385 1.546,386 2.898,387 1.536,388 4.342,389 2.513,390 1.532,391 1.984,393 4.211,394 1.5,395 2.822,396 1.532,397 3.603,398 2.34,399 1.35,400 1.867,402 2.945,403 1.335,404 2.213,405 1.386,406 3.49,407 1.952,408 1.068,409 1.154,411 2.607,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.847,423 0.721,424 3,425 1.322,426 0.347,427 0.521,428 0.86,429 0.338,430 1.311,431 0.347,432 2.952,433 0.907,434 -0.061,435 -0.071,436 -0.183,437 -0.059,438 1.05,439 0.334,440 2.559,441 0.625,442 -0.389,443 -0.5,445 -0.998,446 -0.378,447 0.674,448 -0.207,449 2.284,450 0.402,451 -0.557,452 -0.685,454 -1.365,455 -0.542,456 0.598,457 -0.36,458 2,459 0.197,460 -0.787,461 -0.972,463 -1.939,464 -0.77,465 10.6,466 0.461,467 0.482,468 0.021,469 29,470 1.261,471 12.5,472 0.543,473 16.5,474 0.717,475 16.708,476 0.726,477 24.8,478 0.636,479 19.917,480 0.866,481 6.007,482 0.261,483 5.269,484 0.229,485 0.031,487 0.321,493 0.84,494 1.511,495 0.691,496 1.2,497 0.601,498 0.956,499 1.018,500 1.162,501 0.875,502 1.025,503 0.643,504 0.938,505 1.347,506 0.953,507 1.128,508 0.814,509 1.111,510 0.885,511 0.594,512 0.935,513 0.939,514 1.064,515 0.661,516 1.082,517 1.051,518 1.081,519 0.988,520 0.998,521 1.225,522 0.972,523 0.994,524 1.104,525 1.012,526 1.107,527 1.52,528 1.08,529 1.15,530 0.952,531 0.961,532 0.838,533 1.551,534 0.841,535 1.428,536 0.732,537 1.03,538 0.703,539 0.976,540 0.756,541 4.5,542 0.019,543 1.556,544 1.667,545 0.787,546 0.719,547 0.299,548 0.251,549 0.169,550 0.107,551 6137,552 16990,553 2.196,554 41,556 13,559 1,560 2,564 1.657,565 2.123,566 3.251,567 -0.241,568 1,569 1,571 1,573 65.376,574 1.676,575 3.828,576 4.465,577 4.67,578 4.721,579 4.721,580 2.703,581 3.915,582 4.498,583 3.375,584 853.947,585 7.74,586 9682.74,587 1,588 1,591 206.131,592 1.121,593 4.483,594 0.173,595 0.002,596 0.043,597 0.051,598 0.027,599 0.027,600 0.011,601 0.011,602 0.009,603 0.007,604 0.36,605 0.5,606 1,607 0.393,608 107.45,609 -0.074,610 -0.326,611 0.072,612 -0.158,613 -0.032,614 -0.034,615 -0.001,616 -0.064,617 0.014,618 -0.057,619 0.064,620 -0.033,621 -0.267,622 0.077,623 -0.152,624 0.108,625 -0.173,626 0.03,627 0.222,628 0.075,629 0.008,630 -0.091,631 0.13,632 -0.101,633 -0.097,634 -0.091,635 -0.012,636 -0.045,637 -0.12,638 -0.01,639 0.111,640 -0.132,641 -0.033,642 -0.142,643 0.043,644 -0.13,645 -0.004,646 -0.011,647 0.085,648 0.081,649 -0.043,650 0.108,651 -0.263,652 0.184,653 0.018,654 0.245,655 -0.091,656 0.214,657 1.84,658 4.912,659 0.913,660 17.493,661 1.018,662 1.131,663 1.963,664 3.853,665 0.666,666 3.296,667 3.611,668 3.871,669 4.174,670 4.369,671 4.394,672 4.522,673 4.644,674 4.673,675 4.745,676 5.691,677 0.651,678 312.36,679 3.296,680 4.828,681 5.673,682 6.55,683 7.409,684 8.29,685 9.156,686 10.038,687 10.906,688 11.789,689 10.3,692 1,696 1,698 1,699 1,703 2,704 4,705 1,707 1,709 1,711 10,731 39,733 13,734 1,735 26,737 42,738 16,739 7,740 2,741 4,742 4,746 4,747 5,758 1,761 11,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 16,782 7,783 1,784 7,790 4,791 1,794 0.75,795 3,799 1,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,848 23,854 5,855 1,856 1,859 1,870 7.7,873 1,874 1,875 1,877 10.833,878 7.017,879 4.972,880 2.346,881 2.691,882 1.37,883 1.012,884 3.854,885 9.962,886 3.555,887 4.131,888 4.69,889 5.3,890 5.744,891 6.015,892 6.375,893 6.773,894 6.836,895 7.201,896 1,897 33,898 8.506,900 3.666,901 7.761,902 16.207,904 13.354,905 2.261,906 52,910 176.567,911 84.673,912 54.706,914 45.652,917 84.673,918 222.219,919 54.706,921 33.941,922 47.381,923 64.983,924 33.889,925 4.836,926 176.567,928 176.567,929 139.379,930 45.652,933 176.567,934 34.652,935 11,937 61.015,938 52.102,939 26.262,941 176.567,942 100.358,943 84.673,946 176.567,947 37.292,948 50.506,949 18.011,950 79.223,951 176.567,952 100.358,953 84.673,955 0.576,956 0.329,957 0.19,958 0.104,959 19,960 7,961 0.071,962 3,963 1,964 1.095,965 3.657,966 187.156,967 0.095,968 21,969 100.042,974 14.425,975 6.144,976 3.137,977 1.531,978 100.358,979 7.569,980 4.418,982 5.69,984 0.536,986 18.011,987 361.598,988 34,993 11.912,995 1.515,996 4.538,997 1.043,999 39.691,1000 44.113,1001 0.317,1002 0.724,1003 0.845,1004 0.884,1005 0.893,1006 0.893,1007 4.792,1008 1.35,1009 5.638,1010 4.211,1011 4.29,1012 4.816,1013 2.316,1014 6.415,1015 4.202,1016 5.981,1017 1.068,1018 7.163,1019 2.945,1020 3.761,1021 4.575,1022 1.048,1023 7.168,1024 3.647,1025 7.279,1026 1,1027 8.783,1028 2.607,1029 5.844,1030 6.989,1031 2.547,1032 10.279,1033 5.671,1034 8.61,1035 0.347,1036 10.46,1037 2.136,1038 6.133,1039 7.612,1040 1.926,1041 11.871,1042 5.931,1043 9.975,1044 -0.061,1045 12.174,1046 0.86,1047 7.667,1048 9.491,1049 3.017,1050 14.454,1051 7.414,1052 11.362,1053 -0.389,1054 13.914,1055 -0.183,1056 8.363,1057 10.551,1058 2.824,1059 16.409,1060 8.077,1061 12.768,1062 -0.557,1063 15.672,1064 -0.998,1065 9.649,1066 12.198,1067 3.646,1068 18.787,1069 9.318,1070 3.011,1071 -0.787,1072 17.444,1073 -1.365,1074 10.547,1075 13.477,1076 3.721,1077 20.903,1078 10.182,1079 2.921,1080 9.52,1081 19.227,1082 -1.939,1083 11.72,1084 15.022,1085 4.375,1086 23.199,1087 11.315,1088 2.481,1089 9.302,1090 21.018,1091 4.403,1092 12.718,1093 16.406,1094 4.604,1095 25.385,1096 12.278,1097 2.151,1098 7.442,1099 22.815,1100 3.631,1101 13.841,1102 17.909,1103 5.16,1104 27.648,1105 13.365,1106 1.788,1107 6.141,1108 24.618,1109 2.936,1110 14.885,1111 19.342,1112 5.476,1113 29.866,1114 14.375,1115 1.709,1116 5.032,1117 26.425,1118 2.635,1119 15.987,1120 20.828,1121 5.975,1122 32.116,1123 15.443,1124 1.532,1125 4.312,1126 28.236,1127 2.48,1128 17.055,1129 22.284,1130 6.339,1131 34.347,1132 16.477,1133 5691,1134 9598,1135 18.087,1136 25.955,1137 39.193,1138 39.651,1139 39.096,1140 38.681,1141 38.716,1142 49.819,1143 9.351,1144 109.016,1145 36.963,1146 5.465,1147 5.581,1148 6.054,1149 5.084,1150 5.011,1151 7.403,1152 2.695,1153 15.865,1154 4.928,1155 5.842,1156 1.507,1157 1.525,1158 1.504,1159 1.488,1160 1.489,1161 1.916,1162 0.36,1163 4.193,1164 1.422,1165 4.083,1166 4.101,1167 4.053,1168 3.948,1169 7.43,1170 3.969,1171 3.887,1172 3.935,1173 3.833,1174 3.697,1175 5.208,1176 3.724,1177 3.663,1178 3.714,1179 3.556,1180 3.451,1181 4.752,1182 3.467,1183 3.409,1184 3.443,1185 3.327,1186 3.244,1187 4.578,1188 3.26,1189 3.111,1190 3.206,1191 2.957,1192 2.941,1193 4.394,1194 2.91,1195 3.037,1196 3.084,1197 2.87,1198 2.862,1199 3.961,1200 2.875,1201 2.944,1202 2.99,1203 2.866,1204 2.759,1205 3.892,1206 2.754,1207 2.893,1208 2.949,1209 2.775,1210 2.594,1211 3.484,1212 2.659,1213 0.172,1214 0.138,1215 0.24,1216 0.153,1217 0.116,1218 4.465,1219 0.169,1220 3.581,1221 0.059,1222 6.252,1223 0.366,1224 3.98,1225 0.113,1226 3.011,1227 4.403,1228 1.528,1229 9.52,1230 2.928,1231 1.893,1232 1.871,1233 1.993,1234 2.026,1235 1.209,1236 2.003,1237 1.804,1238 1.757,1239 1.949,1240 1.988,1241 1.067,1242 1.989,1243 1.611,1244 1.56,1245 1.785,1246 1.855,1247 0.956,1248 1.837,1249 1.374,1250 1.347,1251 1.524,1252 1.613,1253 0.825,1254 1.576,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 0.945,1262 0.894,1263 1.178,1264 1.18,1265 0.224,1266 1.171,1267 0.9,1268 0.867,1269 1.07,1270 1.139,1271 0.202,1272 1.109,1273 0.777,1274 0.72,1275 1.062,1276 1.091,1277 0.137,1278 1.084,1279 3.97,1281 5.283,1282 2.398,1283 6.788,1284 4.727,1285 8.378,1286 6.823,1287 10.01,1295 3.115,1296 2.755,1297 5.331,1300 2.05,1305 25.391,1306 65.376,1307 149.302,1308 174.131,1309 182.131,1310 184.131,1311 184.131,1312 30.222,1313 7.27,1314 84.25,1315 84.25,1316 23,1317 12.326,1318 3.807,1319 3.17,1320 31.875,1321 78,1322 70,1323 0.198,1324 153.348,1325 266.01,1326 365.93,1327 14066,1329 15.648,1330 0.68,1331 0.543,1332 15.648,1333 12.489,1334 11.276,1335 0.434,1336 0.29,1337 7.396,1338 10.655,1339 7.31,1340 5.957,1341 11.276,1342 7.552,1343 10.214,1344 0.284,1345 0.15,1346 10.214,1347 5.402,1348 8.399,1349 0.179,1350 0.08,1351 8.399,1352 3.769,1353 7.507,1354 0.117,1355 0.042,1356 7.507,1357 2.671,1358 5.964,1359 0.076,1360 0.023,1361 5.964,1362 1.764,1363 0.309,1364 71.849,1365 0.235,1366 22.564,1367 0.548,1368 124,1369 408.475,1370 142.098,1371 381.186,1372 523.37,1373 360,1374 145,1375 388.25,1376 162.796,1377 383.668,1378 565.57,1379 363,1380 5}
{0 CHEMBL2064419,1 1.655,2 10.087,3 0.654,4 0.428,5 84.43,6 7.668,7 0.24,8 3.829,9 3.949,10 3.413,11 3.296,12 4.953,13 3.307,14 4.368,15 4.537,16 3.739,17 3.649,18 5.516,19 3.636,20 4.609,21 4.827,22 3.705,23 3.746,24 5.686,25 3.703,26 4.537,27 4.771,28 3.667,29 3.686,30 5.683,31 3.612,32 4.502,33 4.722,34 3.619,35 3.611,36 5.671,37 3.574,38 4.445,39 4.644,40 3.591,41 3.526,42 5.783,43 3.493,44 4.386,45 4.621,46 3.386,47 3.4,48 5.549,49 3.348,50 4.225,51 4.468,52 3.24,53 3.255,54 5.342,55 3.215,56 0.076,57 0.627,58 8.082,59 3.339,60 7.966,61 4.425,62 0.362,63 0.963,64 16.021,65 5.452,66 27.785,67 7.452,68 0.551,69 1.115,70 22.674,71 6.228,72 51.847,73 8.982,74 0.475,75 1.03,76 20.91,77 6.964,78 46.659,79 10.171,80 0.436,81 0.949,82 20.549,83 6.051,84 52.322,85 8.567,86 0.548,87 0.875,88 19.274,89 5.829,90 80.055,91 8.004,92 0.547,93 0.802,94 19.179,95 5.051,96 64.386,97 7.383,98 0.381,99 0.678,100 16.509,101 4.37,102 44.677,103 6.308,104 5,105 33,106 0.293,107 0.645,108 0.766,109 0.808,110 0.82,111 0.82,112 3.188,113 0.898,114 -3.05,115 -3.05,116 -2.94,119 39,121 1,125 4,135 1,139 1,142 5,144 1,158 3,172 4,174 1,175 5,178 3,180 5,183 4,186 1,192 2,195 2,198 3,199 4,202 3,203 1,204 1,207 3,211 1,212 3,220 2,223 2,224 4,227 2,229 3,232 1,236 1,237 3,240 1,242 2,250 5,255 1,258 2,262 1,263 4,266 1,271 2,275 753,276 15.654,277 15.654,278 15.654,279 15.654,280 15.654,281 14.203,282 20.88,283 9.648,284 16.041,285 12.421,286 12.421,287 12.421,288 12.421,289 12.421,290 10.154,291 26.951,292 4.687,293 13.011,294 3.703,295 1.716,296 1.033,297 0.799,298 0.732,299 0.732,300 3.872,304 1,305 1,306 498,307 2.739,311 236.286,318 1.49,319 26.921,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 232,332 4.263,333 3.681,334 6.202,335 3.891,336 2.951,337 3.637,338 2.028,339 9.329,340 2.78,341 3.966,342 3.516,343 5.584,344 3.621,345 2.648,346 3.473,347 1.408,348 7.656,349 2.569,350 3.692,351 3.122,352 5.386,353 3.4,354 2.449,355 2.9,356 0.993,357 7.083,358 2.325,359 3.497,360 2.792,361 4.923,362 3.163,363 2.148,364 2.616,365 0.86,366 5.78,367 2.163,368 3.276,369 2.528,370 4.544,371 2.775,372 1.786,373 2.416,374 0.849,375 4.746,376 1.748,377 2.895,378 2.288,379 4.336,380 2.618,381 1.708,382 1.981,383 0.25,384 4.199,385 1.546,386 2.842,387 1.554,388 3.569,389 2.376,390 1.38,391 1.869,392 0.129,393 2.987,394 1.37,395 2.5,396 1.519,397 3.49,398 2,399 1.069,400 1.5,402 2.606,403 1,404 2.213,405 1.256,406 3.247,407 1.952,408 1,409 1.153,411 2.136,412 0.946,413 2,414 1,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.302,423 0.818,424 2.915,425 0.957,430 1.179,431 0.703,432 2.562,433 0.708,434 -0.315,435 -0.403,436 -0.782,437 -0.317,438 1,439 0.347,440 2.391,441 0.613,442 -0.395,443 -0.503,445 -1.013,446 -0.382,447 0.619,448 -0.205,449 2.073,450 0.38,451 -0.597,452 -0.741,454 -1.403,455 -0.591,456 0.5,457 -0.36,458 1.709,459 0.026,460 -1,461 -1,463 -2.253,464 -0.846,465 10.6,466 0.461,467 0.468,468 0.02,469 28.25,470 1.228,471 12.5,472 0.543,473 15.75,474 0.685,475 16.565,476 0.72,477 25.4,478 0.62,479 20.601,480 0.896,481 5.987,482 0.26,483 5.216,484 0.227,485 0.063,487 0.274,493 0.789,494 1.525,495 0.752,496 1.198,497 0.553,498 0.993,499 0.919,500 1.226,501 0.934,502 1.091,503 0.588,504 1.03,505 1.293,506 1.004,507 1.162,508 0.879,509 1.133,510 0.958,511 0.486,512 0.956,513 0.836,514 1.067,515 0.639,516 1.035,517 1.18,518 0.998,519 0.996,520 0.966,521 1.4,522 0.935,523 1.161,524 1.116,525 1.044,526 1.108,527 1.439,528 1.071,529 1.229,530 0.942,531 1.079,532 0.877,533 1.463,534 0.927,535 1.393,536 0.852,537 0.989,538 0.747,539 1.325,540 0.769,541 4.5,542 0.021,543 1.333,544 1.438,545 0.876,546 0.708,547 0.364,548 0.203,549 0.185,550 0.101,551 5919,552 16962,553 2.093,554 43.9,556 14,559 2,560 2,564 1.656,565 2,566 3.326,567 0.364,569 1,571 1,573 67.846,574 1.655,575 3.642,576 4.324,577 4.559,578 4.626,579 4.626,580 2.752,581 4.089,582 4.496,583 3.454,584 873.888,585 7.737,586 10119.8,588 1,591 219.66,592 1.214,593 4.473,594 0.18,595 0.002,596 0.04,597 0.046,598 0.03,599 0.025,600 0.014,601 0.01,602 0.01,603 0.006,604 0.364,605 0.33,606 1,607 0.503,608 108.441,609 -0.077,610 -0.278,611 0.047,612 -0.112,613 -0.034,614 -0.02,615 0.024,616 -0.096,617 -0.034,618 -0.093,619 0.047,620 -0.09,621 -0.248,622 0.036,623 -0.188,624 0.048,625 -0.175,626 -0.035,627 0.281,628 0.05,629 0.114,630 -0.086,631 0.175,632 -0.041,633 -0.121,634 -0.015,635 -0.007,636 -0.012,637 -0.122,638 0.019,639 0.07,640 -0.152,641 -0.044,642 -0.148,643 0.102,644 -0.131,645 -0.05,646 -0.005,647 -0.047,648 0.035,649 -0.122,650 0.007,651 -0.228,652 0.064,653 0.051,654 0.173,655 -0.132,656 0.18,657 1.927,658 5.074,659 0.783,660 19.119,661 1.014,662 1.135,663 1.825,664 3.33,665 0.652,666 3.258,667 3.526,668 3.714,669 3.97,670 4.143,671 4.094,672 4.143,673 4.205,674 4.174,675 4.174,676 5.961,677 0.632,678 314.38,679 3.258,680 4.762,681 5.572,682 6.422,683 7.246,684 8.102,685 8.933,686 9.791,687 10.626,688 11.486,689 9.8,692 1,696 2,698 1,704 5,709 1,711 6,731 41,733 10,734 1,735 25,737 43,738 16,739 6,740 1,741 5,742 4,746 3,747 3,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,781 18,782 7,783 2,784 7,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,848 23,854 5,855 2,856 1,859 1,870 7.3,873 2,874 1,877 11.5,878 7.15,879 5.111,880 2.378,881 1.649,882 1.245,883 0.972,884 5.055,885 8.386,886 3.497,887 3.961,888 4.353,889 4.849,890 5.22,891 5.226,892 5.302,893 5.543,894 5.486,895 5.752,896 0.857,897 31,898 8.522,900 3.595,901 7.906,902 16.038,904 12.804,905 2.406,906 55.333,910 188.338,911 89.61,912 55.931,914 61.29,917 89.61,918 249.627,919 55.931,921 51.952,922 56.857,923 73.027,924 24.995,926 188.338,928 188.338,929 145.541,930 61.29,933 188.338,934 50.29,935 11,937 71.862,938 64.203,939 9.476,941 188.338,942 117.221,943 89.61,946 188.338,947 32.753,948 59.982,949 36.022,950 78.075,951 188.338,952 117.221,953 89.61,955 0.566,956 0.311,957 0.177,958 0.097,959 15,960 6,961 0.093,962 4,964 1,965 3.627,966 174.791,968 18,969 96.042,974 15.716,975 7.398,976 4.406,978 117.221,979 9.167,984 0.712,986 36.022,987 395.169,988 32,993 23.882,995 1.448,996 4.393,997 0.453,999 41.574,1000 46.528,1001 0.309,1002 0.68,1003 0.807,1004 0.851,1005 0.863,1006 0.863,1007 4.714,1008 1.069,1009 5.517,1010 2.987,1011 4.205,1012 4.644,1013 2.784,1014 6.236,1015 4.12,1016 5.867,1017 1,1018 7.008,1019 2.606,1020 3.611,1021 4.227,1022 1.912,1023 6.88,1024 3.51,1025 7.133,1026 1,1027 8.592,1028 2.136,1029 5.7,1030 6.614,1031 3.513,1032 9.971,1033 5.526,1034 8.424,1036 10.233,1037 2.136,1038 5.889,1039 6.93,1040 3.388,1041 11.445,1042 5.683,1043 9.744,1044 -0.315,1045 11.91,1047 7.445,1048 8.832,1049 4.59,1050 14.017,1051 7.173,1052 11.083,1053 -0.395,1054 13.614,1055 -0.782,1056 8.038,1057 9.521,1058 4.849,1059 15.875,1060 7.719,1061 12.437,1062 -0.597,1063 15.336,1064 -1.013,1065 9.335,1066 11.183,1067 5.84,1068 18.237,1069 8.956,1070 2.951,1071 -1,1072 17.074,1073 -1.403,1074 10.147,1075 12.085,1076 6.297,1077 20.283,1078 9.712,1079 2.648,1080 9.329,1081 18.824,1082 -2.253,1083 11.316,1084 13.611,1085 7.17,1086 22.558,1087 10.824,1088 2.449,1089 7.656,1090 20.583,1091 3.637,1092 12.247,1093 14.643,1094 7.733,1095 24.696,1096 11.692,1097 2.148,1098 7.083,1099 22.35,1100 3.473,1101 13.355,1102 16.084,1103 8.539,1104 26.938,1105 12.744,1106 1.786,1107 5.78,1108 24.125,1109 2.9,1110 14.35,1111 17.199,1112 9.162,1113 29.122,1114 13.674,1115 1.708,1116 4.746,1117 25.905,1118 2.616,1119 15.432,1120 18.587,1121 9.928,1122 31.352,1123 14.698,1124 1.38,1125 4.199,1126 27.691,1127 2.416,1128 16.46,1129 19.756,1130 10.586,1131 33.559,1132 15.662,1133 5700,1134 9762,1135 16.989,1136 26.716,1137 36.733,1138 38.054,1139 36.805,1140 36.213,1141 36.277,1142 45.092,1143 13.034,1144 97.312,1145 34.764,1146 5.263,1147 5.681,1148 6.004,1149 4.995,1150 4.951,1151 6.637,1152 3.592,1153 15.601,1154 4.78,1155 8.214,1156 1.469,1157 1.522,1158 1.472,1159 1.449,1160 1.451,1161 1.804,1162 0.521,1163 3.892,1164 1.391,1165 3.945,1166 3.989,1167 3.888,1168 3.835,1169 7.432,1170 3.835,1171 3.869,1172 3.911,1173 3.806,1174 3.705,1175 7.427,1176 3.73,1177 3.678,1178 3.729,1179 3.572,1180 3.462,1181 4.785,1182 3.48,1183 3.457,1184 3.486,1185 3.387,1186 3.25,1187 4.742,1188 3.275,1189 3.111,1190 3.206,1191 2.911,1192 2.941,1193 4.575,1194 2.91,1195 2.993,1196 3.063,1197 2.866,1198 2.806,1199 3.969,1200 2.815,1201 2.944,1202 2.99,1203 2.864,1204 2.735,1205 3.866,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.596,1211 3.674,1212 2.66,1213 0.171,1214 0.147,1215 0.248,1216 0.156,1217 0.118,1218 4.263,1219 0.145,1220 3.681,1221 0.081,1222 6.202,1223 0.373,1224 3.891,1225 0.111,1226 2.951,1227 3.637,1228 2.028,1229 9.329,1230 2.78,1231 1.892,1232 1.86,1233 2.014,1234 2.036,1235 1.209,1236 2.019,1237 1.8,1238 1.754,1239 1.948,1240 1.985,1241 1.07,1242 1.986,1243 1.608,1244 1.557,1245 1.785,1246 1.846,1247 0.933,1248 1.831,1249 1.366,1250 1.335,1251 1.531,1252 1.604,1253 0.825,1254 1.578,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.614,1260 1.429,1261 0.946,1262 0.882,1263 1.181,1264 1.192,1265 0.24,1266 1.192,1267 0.886,1268 0.821,1269 1.181,1270 1.146,1271 0.218,1272 1.113,1273 0.777,1274 0.72,1275 1.068,1276 1.062,1277 0.204,1278 1.107,1279 3.932,1281 5.209,1283 6.678,1285 8.232,1287 9.828,1295 2.608,1296 5.392,1297 5.293,1300 1.983,1305 25.918,1306 67.846,1307 149.321,1308 177.295,1309 186.905,1310 189.66,1311 189.66,1312 39.53,1313 6.737,1314 87.32,1315 87.32,1316 18,1317 12.042,1318 3.459,1319 3,1320 36.863,1321 81,1322 79,1323 0.218,1324 160.742,1325 289.27,1326 383.97,1327 7185,1329 16.071,1330 0.699,1331 0.549,1332 16.071,1333 12.619,1334 11.204,1335 0.448,1336 0.299,1337 7.34,1338 10.627,1339 7.237,1340 5.94,1341 11.204,1342 7.484,1343 9.917,1344 0.301,1345 0.159,1346 9.917,1347 5.241,1348 7.59,1349 0.19,1350 0.087,1351 7.59,1352 3.498,1353 6.643,1354 0.128,1355 0.046,1356 6.643,1357 2.411,1358 5.107,1359 0.082,1360 0.025,1361 5.107,1362 1.555,1363 0.343,1364 71.175,1365 0.243,1366 22.795,1367 0.595,1368 116,1369 391.163,1370 131.994,1371 367.556,1372 489.27,1373 344,1374 131,1375 345.05,1376 145.75,1377 344.015,1378 498.1,1379 324,1380 5.671}
{0 CHEMBL2064478,1 1.646,2 8.619,3 2.149,4 4.616,5 79.06,6 8.067,7 0.696,8 3.683,9 3.797,10 3.322,11 3.191,12 4.884,13 3.205,14 4.161,15 4.322,16 3.667,17 3.528,18 5.376,19 3.533,20 4.283,21 4.453,22 3.644,23 3.605,24 5.456,25 3.593,26 4.295,27 4.477,28 3.608,29 3.59,30 5.476,31 3.555,32 4.309,33 4.516,34 3.486,35 3.535,36 5.395,37 3.48,38 4.269,39 4.504,40 3.331,41 3.447,42 5.304,43 3.362,44 4.11,45 4.358,46 3.142,47 3.206,48 5.198,49 3.135,50 3.816,51 4.078,52 2.753,53 2.903,54 4.818,55 2.805,56 0.074,57 0.546,58 6.125,59 2.841,60 5.228,61 3.459,62 0.289,63 0.829,64 11.926,65 4.589,66 20.373,67 5.753,68 0.297,69 0.899,70 13.913,71 4.933,72 32.357,73 6.068,74 0.284,75 0.896,76 14.142,77 5.285,78 28.739,79 6.955,80 0.354,81 0.885,82 15.293,83 5.118,84 24.148,85 6.859,86 0.266,87 0.818,88 15.506,89 5.392,90 21.809,91 7.558,92 0.282,93 0.669,94 14.017,95 4.358,96 28.957,97 6.148,98 0.222,99 0.502,100 10.502,101 3.169,102 21.514,103 4.623,104 15,105 32,106 0.298,107 0.656,108 0.779,109 0.859,110 0.879,111 0.879,112 3.104,113 0.841,114 -4.03,115 -3.98,116 -3.77,119 42.9,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 2,175 6,178 3,180 1,183 7,187 8,190 1,195 6,198 2,199 8,204 1,207 4,211 2,212 6,217 2,220 3,223 1,224 5,229 1,232 2,236 1,237 5,242 1,245 2,250 2,253 1,255 2,258 1,263 1,268 1,271 1,275 511,276 14.248,277 14.248,278 14.248,279 14.248,280 14.248,281 12.243,282 11.153,283 8.43,284 14.599,285 11.33,286 11.33,287 11.33,288 11.33,289 11.33,290 8.242,291 14.41,292 3.944,293 11.824,294 3.483,295 1.505,296 0.829,297 0.386,298 0.272,299 0.272,300 3.784,303 1,304 1,305 1,306 384,307 2.828,310 43.675,311 114.312,314 77.84,318 1.542,319 16.856,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 181,332 4.532,333 3.536,334 6.528,335 4.064,336 3.101,337 4.459,338 1.907,339 10.299,340 3.002,341 4.279,342 3.169,343 6.227,344 3.834,345 2.886,346 3.935,347 0.86,348 9.405,349 2.719,350 3.698,351 2.952,352 5.309,353 3.324,354 2.357,355 3.058,356 0.149,357 6.765,358 2.278,359 3.454,360 2.357,361 5.134,362 3.035,363 2.058,364 2.739,366 5.998,367 2,368 3.139,369 2.035,370 4.428,371 2.668,372 1.699,373 2.36,375 4.385,376 1.63,377 3.005,378 1.64,379 4.366,380 2.473,381 1.516,382 2.227,384 4.284,385 1.446,386 2.917,387 1.521,388 4.011,389 2.46,390 1.491,391 2.086,393 3.319,394 1.437,395 2.613,396 1.143,397 3.599,398 2.118,399 1.125,400 1.666,402 2.785,403 1.116,404 1.922,405 0.938,406 3.162,407 1.437,408 0.517,409 0.672,411 1.13,412 0.468,413 1.642,414 0.589,415 2.778,416 1.3,417 0.378,418 0.494,420 0.691,421 0.349,422 1.104,423 0.419,424 2.567,425 0.727,426 -0.226,427 -0.273,428 -0.605,429 -0.214,430 0.882,431 -0.015,432 2.45,433 0.484,434 -0.465,435 -0.584,436 -1.023,437 -0.435,438 0.636,439 -0.204,440 2.172,441 0.152,442 -0.805,443 -1.083,445 -1.912,446 -0.757,447 0.576,448 -0.654,449 2,450 0.102,451 -0.896,452 -1.256,454 -2,455 -0.875,456 0.5,457 -0.85,458 1.705,459 0.075,460 -1,461 -1.413,463 -2.457,464 -0.97,465 9.767,466 0.465,467 0.503,468 0.024,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 12.702,476 0.605,477 22.033,478 0.63,479 20.772,480 0.989,481 6.297,482 0.3,483 3.872,484 0.184,485 0.137,487 0.348,493 0.761,494 1.307,495 0.697,496 1.095,497 0.621,498 0.918,499 0.858,500 0.945,501 0.734,502 0.867,503 0.596,504 0.803,505 1.294,506 1.021,507 1.043,508 0.915,509 1.366,510 0.922,511 0.858,512 1.195,513 0.969,514 1.121,515 0.523,516 1.077,517 0.995,518 1.038,519 1.116,520 1.019,521 0.777,522 1.071,523 0.751,524 1.063,525 0.989,526 1.093,527 0.574,528 1.084,529 0.965,530 0.961,531 0.964,532 0.941,533 1.124,534 0.943,535 0.832,536 0.923,537 1.051,538 0.94,539 0.94,540 1.007,541 4.5,542 0.07,543 2,544 1.729,545 0.836,546 0.803,547 0.38,548 0.291,549 0.118,550 0.106,551 4186,552 12682,553 2.074,554 40,556 9,557 1,559 1,560 3,564 1.632,565 1.938,566 3.118,567 -0.244,569 1,571 1,573 57.619,574 1.646,575 3.624,576 4.3,577 4.743,578 4.858,579 4.858,580 2.57,581 4.107,582 4.36,583 3.262,584 685.083,585 7.474,586 7167.11,587 1,588 1,590 1,591 179.525,592 1.418,593 4.322,594 0.196,595 0.009,596 0.063,597 0.056,598 0.029,599 0.032,600 0.018,601 0.017,602 0.011,603 0.012,604 0.441,605 0.67,606 1,607 1.142,608 94.348,609 -0.003,610 -0.152,611 0.06,612 -0.104,613 -0.08,614 -0.029,615 0.128,616 0.139,617 0.146,618 0.095,619 0.107,620 0.102,621 -0.241,622 0.038,623 -0.145,624 0.039,625 -0.251,626 -0.019,627 0.031,628 -0.168,629 -0.068,630 -0.147,631 0.141,632 -0.133,633 -0.057,634 -0.021,635 -0.171,636 -0.072,637 -0.102,638 -0.129,639 0.027,640 -0.117,641 -0.009,642 -0.11,643 0.077,644 -0.072,645 -0.009,646 -0.039,647 0.076,648 0.017,649 -0.021,650 0.06,651 0.011,652 0.015,653 -0.013,654 0.004,655 -0.049,657 1.865,658 4.045,659 0.714,660 16.857,661 1.014,662 1.128,663 2.801,664 7.846,665 0.678,666 3.178,667 3.497,668 3.761,669 4.06,670 4.248,671 4.331,672 4.5,673 4.595,674 4.605,675 4.615,676 5.267,677 0.661,678 282.33,679 3.178,680 4.71,681 5.557,682 6.441,683 7.31,684 8.201,685 9.079,686 9.972,687 10.855,688 11.749,689 11.4,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,729 1,731 35,733 17,734 1,735 23,737 37,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 5,783 1,784 6,790 4,794 0.667,795 2,805 1,811 1,812 2,815 1,826 1,840 2,844 2,848 21,855 1,856 1,867 1,870 5.7,873 1,875 1,877 10.833,878 7.017,879 4.667,880 1.918,881 3.272,882 1.475,883 0.989,884 3.585,885 10.157,886 3.497,887 4.139,888 4.755,889 5.42,890 5.967,891 6.343,892 6.864,893 7.308,894 7.562,895 7.91,896 0.833,897 31,898 7.68,900 3.188,901 7.833,902 14.418,904 11.349,905 2.333,906 49,910 153.024,911 105.547,912 52.623,914 36.145,917 105.547,918 189.169,919 52.623,920 19.708,921 18.011,922 65.905,923 65.013,924 23.778,925 13.67,926 141.253,928 153.024,929 158.17,930 36.145,933 153.024,934 36.145,937 31.614,938 93.107,939 33.449,941 153.024,942 88.768,943 105.547,946 153.024,947 19.934,948 86.777,949 18.011,950 69.593,951 153.024,952 88.768,953 105.547,955 0.574,956 0.329,957 0.19,958 0.101,959 16,960 7,961 0.081,962 3,963 1,964 1.133,965 3.325,966 161.657,967 0.133,968 15,969 92.239,974 13.587,975 5.542,976 2.735,977 0.664,978 87.604,979 13.4,980 8.446,984 3.011,986 18.011,987 347.339,988 32,993 11.045,997 -0.198,999 35.48,1000 39.488,1001 0.321,1002 0.707,1003 0.838,1004 0.925,1005 0.947,1006 0.947,1007 4.71,1008 1.125,1009 5.541,1010 3.319,1011 4.174,1012 4.824,1013 2.143,1014 6.351,1015 4.094,1016 5.935,1017 0.517,1018 7.094,1019 2.785,1020 3.761,1021 4.677,1022 1.593,1023 7.235,1024 3.647,1025 7.251,1026 0.378,1027 8.746,1028 1.13,1029 5.759,1030 7.093,1031 2.962,1032 10.333,1033 5.595,1034 8.604,1035 -0.226,1036 10.455,1037 0.691,1038 6.155,1039 7.777,1040 3.032,1041 12.052,1042 5.948,1043 9.988,1044 -0.465,1045 12.203,1046 -0.605,1047 7.632,1048 9.667,1049 4.052,1050 14.651,1051 7.388,1052 11.394,1053 -0.805,1054 13.977,1055 -1.023,1056 8.411,1057 10.757,1058 4.409,1059 16.715,1060 8.12,1061 12.819,1062 -0.896,1063 15.77,1064 -1.912,1065 9.671,1066 12.418,1067 5.254,1068 19.135,1069 9.348,1070 3.101,1071 -1,1072 17.579,1073 -2,1074 10.631,1075 13.711,1076 5.75,1077 21.342,1078 10.263,1079 2.886,1080 10.299,1081 19.398,1082 -2.457,1083 11.801,1084 15.269,1085 6.502,1086 23.694,1087 11.401,1088 2.357,1089 9.405,1090 21.226,1091 4.459,1092 12.843,1093 16.659,1094 7.068,1095 25.961,1096 12.403,1097 2.058,1098 6.765,1099 23.06,1100 3.935,1101 13.977,1102 18.172,1103 7.771,1104 28.289,1105 13.505,1106 1.699,1107 5.998,1108 24.9,1109 3.058,1110 15.058,1111 19.609,1112 8.374,1113 30.583,1114 14.549,1115 1.516,1116 4.385,1117 26.745,1118 2.739,1119 16.179,1120 21.104,1121 9.051,1122 32.902,1123 15.638,1124 1.491,1125 4.284,1126 28.593,1127 2.36,1128 17.278,1129 22.565,1130 9.674,1131 35.208,1132 16.703,1133 4148,1134 7335,1135 15.315,1136 23.739,1137 34.573,1138 35.242,1139 35.438,1140 34.207,1141 34.26,1142 47.391,1143 5.832,1144 98.122,1145 32.887,1146 5.268,1147 5.536,1148 6.22,1149 5.112,1150 5.101,1151 7.459,1152 3.306,1153 17.119,1154 5.002,1155 10.053,1156 1.503,1157 1.532,1158 1.541,1159 1.487,1160 1.49,1161 2.06,1162 0.254,1163 4.266,1164 1.43,1165 4.116,1166 4.169,1167 4.092,1168 3.976,1169 7.43,1170 3.993,1171 3.862,1172 3.893,1173 3.814,1174 3.735,1175 5.154,1176 3.753,1177 3.573,1178 3.619,1179 3.489,1180 3.348,1181 4.854,1182 3.375,1183 3.255,1184 3.315,1185 3.177,1186 3.083,1187 4.405,1188 3.101,1189 3.249,1190 3.311,1191 3.062,1192 2.966,1193 4.296,1194 2.976,1195 2.924,1196 2.989,1197 2.812,1198 2.787,1199 3.903,1200 2.785,1201 2.791,1202 2.876,1203 2.624,1204 2.646,1205 3.853,1206 2.626,1207 2.731,1208 2.826,1209 2.543,1210 2.507,1211 3.593,1212 2.509,1213 0.197,1214 0.154,1215 0.284,1216 0.177,1217 0.135,1218 4.532,1219 0.194,1220 3.536,1221 0.083,1222 6.528,1223 0.448,1224 4.064,1225 0.131,1226 3.101,1227 4.459,1228 1.907,1229 10.299,1230 3.002,1231 1.98,1232 1.956,1233 2.061,1234 2.094,1235 1.181,1236 2.082,1237 1.747,1238 1.71,1239 1.859,1240 1.892,1241 0.925,1242 1.885,1243 1.52,1244 1.464,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.197,1250 1.125,1251 1.573,1252 1.512,1253 0.574,1254 1.532,1255 1.181,1256 1.109,1257 1.34,1258 1.457,1259 0.315,1260 1.437,1261 0.962,1262 0.909,1263 1.146,1264 1.145,1265 0.206,1266 1.138,1267 0.806,1268 0.735,1269 1.067,1270 1.043,1271 0.141,1272 1.069,1273 0.777,1274 0.695,1275 1.039,1276 0.983,1277 0.079,1278 1.016,1279 3.85,1281 5.165,1282 2.398,1283 6.673,1284 4.727,1285 8.274,1286 6.823,1287 9.923,1289 3.063,1296 2.569,1297 5.367,1305 23.149,1306 57.619,1307 126.854,1308 150.505,1309 166.015,1310 170.015,1311 170.015,1312 25.501,1313 6.884,1314 68.52,1315 68.52,1316 17,1317 12.277,1318 4.17,1319 3.322,1320 32.185,1321 67,1322 63,1323 0.248,1324 144.226,1325 238.74,1326 343.671,1327 7916,1329 14.82,1330 0.706,1331 0.557,1332 14.82,1333 11.7,1334 10.169,1335 0.442,1336 0.28,1337 6.322,1338 9.658,1339 6.128,1340 5.135,1341 10.169,1342 6.446,1343 9.177,1344 0.287,1345 0.142,1346 9.177,1347 4.537,1348 7.355,1349 0.175,1350 0.072,1351 7.355,1352 3.037,1353 6.526,1354 0.114,1355 0.037,1356 6.526,1357 2.136,1358 5.081,1359 0.074,1360 0.02,1361 5.081,1362 1.38,1363 0.381,1364 64.507,1365 0.256,1366 20.66,1367 0.7,1368 110,1369 360.739,1370 123.891,1371 345.675,1372 475.91,1373 324,1374 129,1375 358.771,1376 142.672,1377 361.01,1378 524.48,1379 338,1380 4}
{0 CHEMBL2064479,1 1.616,2 9.273,3 2.87,4 8.237,5 84.373,6 7.799,7 0.667,8 3.753,9 3.872,10 3.353,11 3.274,12 4.952,13 3.273,14 4.232,15 4.406,16 3.74,17 3.641,18 5.431,19 3.628,20 4.398,21 4.557,22 3.744,23 3.748,24 5.633,25 3.721,26 4.513,27 4.719,28 3.625,29 3.732,30 5.676,31 3.66,32 4.409,33 4.645,34 3.479,35 3.634,36 5.417,37 3.543,38 4.36,39 4.61,40 3.398,41 3.539,42 5.381,43 3.445,44 4.242,45 4.48,46 3.257,47 3.341,48 5.367,49 3.27,50 4.04,51 4.306,52 2.976,53 3.088,54 5.115,55 3.002,56 0.081,57 0.587,58 7.19,59 3.179,60 8.83,61 4.007,62 0.224,63 0.909,64 13.199,65 5.28,66 19.04,67 7.073,68 0.244,69 1.019,70 15.58,71 5.859,72 33.097,73 7.451,74 0.411,75 1.048,76 19.727,77 6.814,78 57.007,79 9.172,80 0.259,81 0.978,82 17.716,83 6.088,84 24.887,85 8.807,86 0.193,87 0.889,88 17.532,89 6.144,90 24.425,91 8.891,92 0.31,93 0.764,94 15.919,95 4.847,96 34.699,97 6.812,98 0.271,99 0.614,100 13.524,101 3.832,102 33.324,103 5.66,104 28,105 35,106 0.288,107 0.668,108 0.735,109 0.802,110 0.802,111 0.802,112 3.147,113 0.861,114 -4.28,115 -4.22,116 -3.98,119 42.1,120 3,142 4,143 4,144 1,150 1,151 1,158 1,161 1,166 1,172 9,174 2,175 4,178 3,180 3,183 10,187 5,190 1,192 4,195 11,198 2,199 7,204 2,207 9,211 1,212 6,217 3,220 4,224 7,229 2,232 3,237 6,240 1,242 3,245 2,250 3,253 1,255 2,258 1,263 2,266 1,268 2,271 2,275 594,276 14.326,277 14.326,278 14.326,279 14.326,280 14.326,281 12.19,282 10.876,283 8.201,284 14.531,285 11.834,286 11.834,287 11.834,288 11.834,289 11.834,290 8.607,291 12.363,292 3.927,293 12.214,294 3.632,295 1.497,296 1.119,297 0.744,298 0.744,299 0.744,300 3.821,303 1,304 1,305 1,306 431,307 2.828,310 48.278,311 122.884,314 85.791,318 1.57,319 20.873,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48,331 204,332 4.53,333 3.536,334 6.414,335 4.072,336 3.099,337 4.457,338 1.907,339 9.92,340 3.031,341 4.37,342 3.216,343 6.268,344 3.909,345 2.958,346 4.091,347 0.149,348 9.394,349 2.802,350 3.914,351 3.017,352 5.956,353 3.546,354 2.573,355 3.38,357 8.291,358 2.494,359 3.625,360 2.622,361 5.255,362 3.265,363 2.285,364 2.888,366 6.598,367 2.233,368 3.232,369 2.147,370 4.879,371 2.879,372 1.879,373 2.481,375 5.225,376 1.879,377 3.201,378 2.103,379 4.508,380 2.727,381 1.749,382 2.413,384 4.517,385 1.692,386 3.023,387 1.536,388 4.39,389 2.484,390 1.526,391 2.28,393 4.384,394 1.458,395 2.84,396 1.479,397 4.296,398 2.351,399 1.373,400 1.987,402 3.893,403 1.337,404 1.923,405 0.967,406 3.198,407 1.441,408 0.494,409 0.667,411 1.221,412 0.464,413 1.555,414 0.588,415 3.034,416 1.264,417 0.32,418 0.391,420 0.776,421 0.3,422 1.092,423 0.405,424 2.653,425 0.718,426 -0.236,427 -0.284,428 -0.648,429 -0.223,430 1,431 -0.02,432 2.554,433 0.653,434 -0.347,435 -0.445,436 -0.898,437 -0.347,438 0.748,439 -0.11,440 2.367,441 0.309,442 -0.651,443 -0.838,445 -1.836,446 -0.62,447 0.574,448 -0.539,449 2.127,450 0.1,451 -0.909,452 -1.246,454 -2,455 -0.885,456 0.377,457 -0.768,458 1.69,459 0.061,460 -1,461 -1.398,463 -2.679,464 -1.091,465 10.267,466 0.467,467 0.736,468 0.033,469 30.75,470 1.398,471 16.5,472 0.75,473 14.25,474 0.648,475 15.506,476 0.705,477 23.333,478 0.614,479 21.427,480 0.974,481 6.149,482 0.28,483 4.286,484 0.195,485 0.211,487 0.429,493 0.802,494 1.236,495 0.758,496 1.019,497 0.766,498 0.904,499 0.494,500 0.953,501 0.597,502 0.883,503 0.483,504 0.782,505 1.205,506 1.159,507 1.1,508 1.114,509 1.19,510 1.09,511 1.124,512 1.065,513 1.114,514 1.026,515 1.059,516 1.074,517 0.671,518 1.053,519 1.011,520 1.053,521 0.536,522 1.072,523 0.659,524 1.074,525 0.858,526 1.057,527 0.504,528 0.998,529 1.189,530 1.016,531 1.078,532 0.974,533 1.173,534 0.997,535 1.053,536 0.884,537 1.017,538 0.847,539 0.935,540 0.897,541 6,542 0.112,543 2.667,544 1.854,545 1.338,546 0.879,547 0.496,548 0.337,549 0.253,550 0.11,551 4745,552 14121,553 2.017,554 42.1,555 6,556 4,557 1,559 2,560 3,564 1.643,565 1.833,566 3.2,567 0.348,568 1,569 1,571 1,573 61.421,574 1.616,575 3.751,576 4.129,577 4.504,578 4.504,579 4.504,580 2.72,581 3.914,582 4.428,583 3.344,584 772.478,585 7.601,586 8361.61,587 1,588 1,589 1,590 1,591 199.421,592 1.544,593 4.36,594 0.25,595 0.014,596 0.076,597 0.055,598 0.046,599 0.035,600 0.022,601 0.018,602 0.018,603 0.01,604 0.543,605 0.5,606 1,607 1.094,608 100.849,609 -0.039,610 -0.06,611 0.03,612 0.002,613 -0.131,614 0.018,615 0.26,616 0.154,617 0.272,618 0.114,619 0.143,620 0.171,621 -0.198,622 -0.07,623 -0.222,624 -0.133,625 -0.162,626 -0.173,627 -0.083,628 -0.089,629 -0.154,630 -0.043,631 -0.076,632 -0.11,634 -0.045,635 -0.072,636 -0.081,637 -0.011,638 -0.083,639 0.03,640 -0.137,641 0.114,642 -0.061,643 0.101,644 0.03,645 -0.098,646 -0.067,647 -0.06,648 -0.033,649 -0.093,650 -0.037,651 -0.047,652 0.056,653 0.029,654 0.074,655 -0.022,656 0.074,657 1.874,658 4.061,659 0.682,660 17.818,661 1.01,662 1.129,663 3.051,664 9.306,665 0.671,666 3.219,667 3.584,668 3.829,669 4.094,670 4.304,671 4.431,672 4.554,673 4.644,674 4.718,675 4.779,676 5.521,677 0.649,678 296.36,679 3.219,680 4.779,681 5.631,682 6.524,683 7.396,684 8.291,685 9.172,686 10.068,687 10.953,688 11.85,689 10.5,696 1,697 1,699 2,703 1,704 5,705 2,709 6,711 16,728 1,731 38,733 17,734 1,735 24,737 40,738 16,739 12,740 4,741 2,746 3,747 4,752 3,761 13,762 3,766 1,771 1,775 1,777 1,778 1,781 16,782 5,783 2,784 6,790 4,794 0.667,795 2,805 1,811 1,812 2,815 1,826 1,840 2,844 3,848 22,853 1,855 1,867 1,870 5.3,872 1,873 1,877 12,878 7.883,879 4.694,880 2.155,881 3.22,882 1.461,883 0.967,884 3.588,885 10.207,886 3.526,887 4.216,888 4.817,889 5.462,890 6.023,891 6.434,892 6.91,893 7.362,894 7.693,895 8.093,896 1,897 34,898 8.074,900 3.414,901 7.902,902 15.134,904 12.164,905 2.402,906 52.833,910 164.795,911 94.489,912 52.623,914 67.828,917 94.489,918 232.624,919 52.623,920 26.476,921 18.011,922 46.952,923 107.697,924 13.906,925 13.67,926 153.024,928 164.795,929 147.113,930 67.828,933 164.795,934 67.828,937 49.265,938 64.399,939 33.449,941 164.795,942 120.452,943 94.489,946 164.795,947 21.061,948 74.592,949 18.011,950 101.277,951 164.795,952 120.452,953 94.489,955 0.597,956 0.336,957 0.175,958 0.094,959 18,960 9,961 0.05,962 2,963 1,964 1.133,965 3.358,966 173.659,967 0.133,968 15,969 92.107,974 14.544,975 5.427,976 2.837,977 0.653,978 119.288,979 9.473,980 8.442,984 4.2,986 60.694,987 379.736,988 33,993 11.061,997 -0.207,999 38.363,1000 42.903,1001 0.308,1002 0.715,1003 0.787,1004 0.858,1005 0.858,1006 0.858,1007 4.771,1008 1.373,1009 5.652,1010 4.384,1011 4.263,1012 4.902,1013 1.953,1014 6.479,1015 4.2,1016 6.028,1017 0.494,1018 7.229,1019 3.893,1020 4.007,1021 4.902,1022 1.593,1023 7.365,1024 3.919,1025 7.365,1026 0.32,1027 8.897,1028 1.221,1029 5.883,1030 7.202,1031 2.904,1032 10.445,1033 5.754,1034 8.734,1035 -0.236,1036 10.615,1037 0.776,1038 6.365,1039 7.962,1040 3.032,1041 12.09,1042 6.202,1043 10.129,1044 -0.347,1045 12.364,1046 -0.648,1047 7.775,1048 9.79,1049 4.037,1050 14.691,1051 7.579,1052 11.542,1053 -0.651,1054 14.133,1055 -0.898,1056 8.592,1057 10.915,1058 4.409,1059 16.67,1060 8.36,1061 12.971,1062 -0.909,1063 15.918,1064 -1.836,1065 9.82,1066 12.545,1067 5.25,1068 19.082,1069 9.557,1070 3.099,1071 -1,1072 17.714,1073 -2,1074 10.794,1075 13.85,1076 5.75,1077 21.214,1078 10.497,1079 2.958,1080 9.92,1081 19.519,1082 -2.679,1083 11.948,1084 15.392,1085 6.501,1086 23.545,1087 11.622,1088 2.573,1089 9.394,1090 21.331,1091 4.457,1092 12.995,1093 16.785,1094 7.068,1095 25.749,1096 12.637,1097 2.285,1098 8.291,1099 23.149,1100 4.091,1101 14.12,1102 18.289,1103 7.771,1104 28.046,1105 13.735,1106 1.879,1107 6.598,1108 24.971,1109 3.38,1110 15.201,1111 19.725,1112 8.374,1113 30.286,1114 14.787,1115 1.749,1116 5.225,1117 26.797,1118 2.888,1119 16.317,1120 21.213,1121 9.051,1122 32.569,1123 15.876,1124 1.526,1125 4.517,1126 28.627,1127 2.481,1128 17.414,1129 22.671,1130 9.674,1131 34.826,1132 16.947,1133 4722,1134 8262,1135 15.433,1136 25.5,1137 36.927,1138 37.639,1139 38.065,1140 36.459,1141 36.511,1142 50.073,1143 4.112,1144 108.437,1145 35.382,1146 5.266,1147 5.536,1148 5.691,1149 5.119,1150 5.099,1151 7.457,1152 3.306,1153 16.754,1154 5.031,1155 13.186,1156 1.539,1157 1.568,1158 1.586,1159 1.519,1160 1.521,1161 2.086,1162 0.171,1163 4.518,1164 1.474,1165 4.121,1166 4.172,1167 4.095,1168 3.994,1169 7.43,1170 4.007,1171 3.904,1172 3.935,1173 3.86,1174 3.777,1175 6.468,1176 3.797,1177 3.579,1178 3.626,1179 3.499,1180 3.356,1181 5.151,1182 3.383,1183 3.294,1184 3.35,1185 3.22,1186 3.125,1187 4.632,1188 3.138,1189 3.266,1190 3.347,1191 3.067,1192 3.121,1193 4.275,1194 3.101,1195 2.999,1196 3.074,1197 2.869,1198 2.842,1199 3.966,1200 2.84,1201 2.837,1202 2.933,1203 2.687,1204 2.629,1205 3.903,1206 2.624,1207 2.748,1208 2.816,1209 2.499,1210 2.407,1211 3.854,1212 2.417,1213 0.189,1214 0.147,1215 0.267,1216 0.17,1217 0.129,1218 4.53,1219 0.186,1220 3.536,1221 0.079,1222 6.414,1223 0.413,1224 4.072,1225 0.126,1226 3.099,1227 4.457,1228 1.907,1229 9.92,1230 3.031,1231 2.001,1232 1.978,1233 2.085,1234 2.102,1235 1.236,1236 2.095,1237 1.783,1238 1.747,1239 1.891,1240 1.93,1241 0.996,1242 1.921,1243 1.521,1244 1.465,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.303,1250 1.226,1251 1.639,1252 1.507,1253 0.719,1254 1.557,1255 1.19,1256 1.127,1257 1.403,1258 1.457,1259 0.488,1260 1.438,1261 1.092,1262 1.02,1263 1.324,1264 1.306,1265 0.276,1266 1.334,1267 0.8,1268 0.713,1269 1.063,1270 1.089,1271 0.08,1272 1.085,1273 0.721,1274 0.641,1275 0.963,1276 1.047,1277 0.029,1278 1.029,1279 3.892,1281 5.242,1282 2.398,1283 6.77,1284 4.727,1285 8.383,1286 6.823,1287 10.043,1289 5.155,1294 9.869,1296 2.564,1305 24.676,1306 61.421,1307 142.527,1308 156.892,1309 171.157,1310 171.157,1311 171.157,1312 33.141,1313 6.987,1314 79.52,1315 79.52,1316 17,1317 12.377,1318 4.17,1319 3.322,1320 34.55,1321 73,1322 70,1323 0.241,1324 153.818,1325 256.04,1326 367.076,1327 8811,1329 15.853,1330 0.721,1331 0.572,1332 15.853,1333 12.584,1334 10.436,1335 0.435,1336 0.287,1337 6.787,1338 10.014,1339 6.502,1340 5.464,1341 10.436,1342 6.884,1343 10.105,1344 0.289,1345 0.151,1346 10.105,1347 5.296,1348 8.068,1349 0.179,1350 0.077,1351 8.068,1352 3.443,1353 6.628,1354 0.112,1355 0.04,1356 6.628,1357 2.387,1358 5.101,1359 0.07,1360 0.02,1361 5.101,1362 1.49,1363 0.373,1364 65.568,1365 0.255,1366 21.55,1367 0.673,1368 118,1369 361.153,1370 131.116,1371 353.28,1372 484.83,1373 328,1374 139,1375 368.255,1376 152.008,1377 372.922,1378 541.44,1379 349,1380 4.9}
{0 CHEMBL2064480,1 1.646,2 9.19,3 2.149,4 4.616,5 79.06,6 8.067,7 0.696,8 3.683,9 3.797,10 3.322,11 3.191,12 4.884,13 3.205,14 4.161,15 4.322,16 3.667,17 3.528,18 5.381,19 3.533,20 4.283,21 4.453,22 3.614,23 3.604,24 5.453,25 3.584,26 4.284,27 4.479,28 3.544,29 3.57,30 5.44,31 3.517,32 4.27,33 4.5,34 3.432,35 3.471,36 5.325,37 3.418,38 4.163,39 4.378,40 3.313,41 3.383,42 5.234,43 3.321,44 4.034,45 4.242,46 3.147,47 3.204,48 5.178,49 3.142,50 3.9,51 4.168,52 2.835,53 2.951,54 4.884,55 2.859,56 0.074,57 0.546,58 6.125,59 2.841,60 5.224,61 3.459,62 0.289,63 0.829,64 11.926,65 4.589,66 20.393,67 5.753,68 0.311,69 0.899,70 13.932,71 4.935,72 32.982,73 6.047,74 0.264,75 0.89,76 14.16,77 5.323,78 28.166,79 7.229,80 0.298,81 0.846,82 15.351,83 4.921,84 23.944,85 6.872,86 0.261,87 0.744,88 13.494,89 4.712,90 18.755,91 6.354,92 0.241,93 0.634,94 11.888,95 4.14,96 25.769,97 5.484,98 0.242,99 0.531,100 11.755,101 3.507,102 21.94,103 5.116,104 15,105 32,106 0.298,107 0.656,108 0.789,109 0.869,110 0.879,111 0.879,112 3.103,113 0.84,114 -4.03,115 -3.98,116 -3.77,119 42.9,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 2,175 6,178 3,180 1,183 8,187 7,190 1,195 6,198 2,199 9,204 1,207 4,211 1,212 6,217 2,220 2,223 1,224 6,229 1,232 2,236 1,237 4,242 2,245 2,249 1,250 2,255 1,258 1,263 2,266 1,268 1,271 2,275 521,276 14.196,277 14.196,278 14.196,279 14.196,280 14.196,281 12.219,282 11.153,283 8.376,284 14.554,285 11.336,286 11.336,287 11.336,288 11.336,289 11.336,290 8.26,291 14.41,292 3.95,293 11.84,294 3.483,295 1.505,296 0.772,297 0.329,298 0.272,299 0.272,300 3.784,303 1,304 1,305 1,306 410,307 2.828,310 44.827,311 115.766,314 80.006,318 1.551,319 16.549,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 193,332 4.516,333 3.536,334 6.343,335 4.019,336 3.064,337 4.453,338 1.907,339 9.8,340 2.945,341 4.183,342 3.07,343 6.072,344 3.762,345 2.797,346 3.815,347 0.86,348 8.899,349 2.678,350 3.736,351 2.897,352 5.307,353 3.347,354 2.39,355 3.147,356 0.149,357 6.82,358 2.289,359 3.578,360 2.568,361 5.226,362 3.202,363 2.234,364 2.843,366 6.475,367 2.15,368 3.189,369 2.104,370 4.466,371 2.719,372 1.745,373 2.398,375 4.44,376 1.682,377 3.022,378 1.581,379 4.381,380 2.486,381 1.529,382 2.273,384 4.383,385 1.46,386 2.877,387 1.514,388 4.228,389 2.401,390 1.43,391 2.033,393 3.772,394 1.382,395 2.593,396 1.124,397 3.484,398 2.097,399 1.103,400 1.637,402 2.542,403 1.096,404 1.903,405 0.935,406 3.163,407 1.377,408 0.435,409 0.613,411 1.084,412 0.399,413 1.583,414 0.589,415 2.725,416 1.292,417 0.404,418 0.479,420 0.621,421 0.363,422 1.106,423 0.41,424 2.62,425 0.726,426 -0.23,427 -0.277,428 -0.631,429 -0.217,430 0.87,431 -0.019,432 2.506,433 0.44,434 -0.531,435 -0.709,436 -1.313,437 -0.512,438 0.632,439 -0.375,440 2.202,441 0.168,442 -0.777,443 -0.998,445 -1.873,446 -0.719,447 0.586,448 -0.543,449 1.788,450 0.107,451 -0.887,452 -1.238,454 -2,455 -0.865,456 0.5,457 -0.839,458 1.66,459 0.078,460 -1,461 -1.413,463 -2.572,464 -0.969,465 9.767,466 0.465,467 0.52,468 0.025,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 12.566,476 0.598,477 22.033,478 0.63,479 20.624,480 0.982,481 6.281,482 0.299,483 3.871,484 0.184,485 0.137,487 0.348,493 0.761,494 1.307,495 0.697,496 1.095,497 0.623,498 0.918,499 0.858,500 0.945,501 0.734,502 0.867,503 0.581,504 0.803,505 1.326,506 1.021,507 1.112,508 0.923,509 1.396,510 0.964,511 0.689,512 1.217,513 0.969,514 1.16,515 0.511,516 1.126,517 0.894,518 0.975,519 0.969,520 0.913,521 0.699,522 0.929,523 0.929,524 1.018,525 1.028,526 1.04,527 0.664,528 1.047,529 1.072,530 1.155,531 1.106,532 1.175,533 1.275,534 1.16,535 0.869,536 0.88,537 0.968,538 0.898,539 0.822,540 0.93,541 5,542 0.07,543 1.778,544 1.479,545 0.916,546 0.775,547 0.354,548 0.256,549 0.163,550 0.09,551 4306,552 13098,553 2.074,554 40,556 9,557 1,559 1,560 3,564 1.63,565 1.938,566 3.208,567 -0.244,569 1,571 1,573 57.619,574 1.646,575 3.624,576 4.357,577 4.8,578 4.858,579 4.858,580 2.725,581 3.88,582 4.359,583 3.329,584 699.096,585 7.464,586 7351.63,587 1,588 1,590 1,591 179.525,592 1.418,593 4.322,594 0.217,595 0.01,596 0.056,597 0.049,598 0.034,599 0.032,600 0.017,601 0.015,602 0.014,603 0.009,604 0.453,605 0.67,606 1,607 1.142,608 94.896,609 -0.003,610 -0.152,611 0.06,612 -0.104,613 -0.082,614 -0.029,615 0.128,616 0.139,617 0.146,618 0.095,619 0.123,620 0.102,621 -0.273,622 0.039,623 -0.216,624 0.031,625 -0.282,626 -0.062,627 0.079,628 -0.198,629 -0.066,630 -0.181,631 0.131,632 -0.161,633 -0.052,634 0.025,635 0.005,636 0.034,637 -0.022,638 0.041,639 -0.042,640 -0.045,641 -0.068,642 -0.064,643 0.037,644 -0.066,645 -0.052,646 -0.21,647 -0.128,648 -0.201,649 -0.117,650 -0.187,651 0.033,652 0.028,653 0.098,654 0.053,655 0.019,656 0.09,657 1.862,658 4.035,659 0.714,660 17.401,661 1.014,662 1.128,663 2.801,664 7.846,665 0.678,666 3.178,667 3.497,668 3.738,669 4.025,670 4.234,671 4.331,672 4.489,673 4.564,674 4.595,675 4.635,676 5.439,677 0.661,678 282.33,679 3.178,680 4.71,681 5.549,682 6.428,683 7.29,684 8.175,685 9.047,686 9.934,687 10.812,688 11.701,689 11.4,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,729 1,731 35,733 17,734 1,735 23,737 37,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 5,783 1,784 6,790 4,794 0.667,795 2,805 1,811 1,812 2,815 1,826 1,840 2,844 2,848 21,855 1,856 1,867 1,870 5.7,873 1,875 1,877 10.833,878 7.017,879 4.639,880 1.911,881 3.216,882 1.467,883 0.989,884 3.585,885 10.1,886 3.497,887 4.139,888 4.742,889 5.403,890 5.961,891 6.343,892 6.856,893 7.29,894 7.569,895 7.944,896 1,897 30,898 7.678,900 3.185,901 7.833,902 14.418,904 11.344,905 2.333,906 49,910 153.024,911 105.547,912 52.623,914 36.145,917 105.547,918 189.169,919 52.623,920 19.708,921 18.011,922 65.905,923 65.013,924 23.778,925 13.67,926 141.253,928 153.024,929 158.17,930 36.145,933 153.024,934 36.145,937 31.614,938 93.107,939 33.449,941 153.024,942 88.768,943 105.547,946 153.024,947 19.934,948 86.777,949 18.011,950 69.593,951 153.024,952 88.768,953 105.547,955 0.576,956 0.323,957 0.179,958 0.099,959 16,960 7,961 0.081,962 3,963 1,964 1.133,965 3.357,966 159.99,967 0.133,968 15,969 92.239,974 13.587,975 5.542,976 2.879,977 0.672,978 87.604,979 13.447,980 8.441,984 3.101,986 18.011,987 347.339,988 32,993 11.035,997 -0.195,999 35.48,1000 39.488,1001 0.321,1002 0.707,1003 0.849,1004 0.936,1005 0.947,1006 0.947,1007 4.71,1008 1.103,1009 5.533,1010 3.772,1011 4.174,1012 4.824,1013 2.143,1014 6.323,1015 4.094,1016 5.935,1017 0.435,1018 7.074,1019 2.542,1020 3.761,1021 4.677,1022 1.593,1023 7.14,1024 3.647,1025 7.248,1026 0.404,1027 8.708,1028 1.084,1029 5.746,1030 7.086,1031 2.962,1032 10.211,1033 5.583,1034 8.596,1035 -0.23,1036 10.394,1037 0.621,1038 6.111,1039 7.748,1040 3.032,1041 11.833,1042 5.905,1043 9.972,1044 -0.531,1045 12.115,1046 -0.631,1047 7.584,1048 9.64,1049 4.052,1050 14.404,1051 7.341,1052 11.369,1053 -0.777,1054 13.86,1055 -1.313,1056 8.323,1057 10.709,1058 4.409,1059 16.38,1060 8.032,1061 12.783,1062 -0.887,1063 15.622,1064 -1.873,1065 9.577,1066 12.373,1067 5.254,1068 18.762,1069 9.254,1070 3.064,1071 -1,1072 17.397,1073 -2,1074 10.501,1075 13.65,1076 5.75,1077 20.896,1078 10.129,1079 2.797,1080 9.8,1081 19.183,1082 -2.572,1083 11.661,1084 15.211,1085 6.502,1086 23.203,1087 11.256,1088 2.39,1089 8.899,1090 20.978,1091 4.453,1092 12.675,1093 16.593,1094 7.068,1095 25.409,1096 12.225,1097 2.234,1098 6.82,1099 22.779,1100 3.815,1101 13.797,1102 18.108,1103 7.771,1104 27.688,1105 13.311,1106 1.745,1107 6.475,1108 24.586,1109 3.147,1110 14.856,1111 19.542,1112 8.374,1113 29.926,1114 14.327,1115 1.529,1116 4.44,1117 26.398,1118 2.843,1119 15.963,1120 21.038,1121 9.051,1122 32.196,1123 15.398,1124 1.43,1125 4.383,1126 28.213,1127 2.398,1128 17.045,1129 22.498,1130 9.674,1131 34.45,1132 16.438,1133 4259,1134 7542,1135 15.315,1136 23.739,1137 34.537,1138 35.296,1139 35.251,1140 34.19,1141 34.263,1142 47.385,1143 5.832,1144 97.671,1145 32.888,1146 5.252,1147 5.536,1148 5.932,1149 5.066,1150 5.064,1151 7.453,1152 3.306,1153 16.299,1154 4.945,1155 10.159,1156 1.502,1157 1.535,1158 1.533,1159 1.487,1160 1.49,1161 2.06,1162 0.254,1163 4.247,1164 1.43,1165 4.116,1166 4.168,1167 4.09,1168 3.976,1169 7.43,1170 3.992,1171 3.863,1172 3.893,1173 3.814,1174 3.735,1175 5.153,1176 3.753,1177 3.575,1178 3.621,1179 3.493,1180 3.349,1181 4.859,1182 3.376,1183 3.297,1184 3.35,1185 3.206,1186 3.093,1187 4.436,1188 3.114,1189 3.198,1190 3.268,1191 3.028,1192 2.951,1193 4.241,1194 2.957,1195 2.922,1196 2.988,1197 2.808,1198 2.786,1199 3.902,1200 2.782,1201 2.782,1202 2.872,1203 2.618,1204 2.63,1205 3.85,1206 2.609,1207 2.734,1208 2.822,1209 2.54,1210 2.525,1211 3.579,1212 2.524,1213 0.196,1214 0.154,1215 0.276,1216 0.175,1217 0.133,1218 4.516,1219 0.194,1220 3.536,1221 0.083,1222 6.343,1223 0.426,1224 4.019,1225 0.128,1226 3.064,1227 4.453,1228 1.907,1229 9.8,1230 2.945,1231 1.981,1232 1.956,1233 2.063,1234 2.094,1235 1.18,1236 2.083,1237 1.747,1238 1.711,1239 1.854,1240 1.895,1241 0.925,1242 1.885,1243 1.52,1244 1.465,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.202,1250 1.136,1251 1.568,1252 1.507,1253 0.573,1254 1.527,1255 1.174,1256 1.098,1257 1.339,1258 1.457,1259 0.313,1260 1.437,1261 0.958,1262 0.903,1263 1.141,1264 1.142,1265 0.205,1266 1.137,1267 0.795,1268 0.722,1269 1.064,1270 1.042,1271 0.135,1272 1.068,1273 0.775,1274 0.695,1275 1.045,1276 0.971,1277 0.079,1278 1.005,1279 3.85,1281 5.165,1282 2.398,1283 6.666,1284 4.727,1285 8.253,1286 6.823,1287 9.888,1289 3.062,1296 2.57,1297 5.229,1305 23.149,1306 57.619,1307 126.854,1308 152.505,1309 168.015,1310 170.015,1311 170.015,1312 24.98,1313 6.884,1314 68.52,1315 68.52,1316 17,1317 12.233,1318 4.17,1319 3.322,1320 32.251,1321 69,1322 63,1323 0.24,1324 144.226,1325 238.74,1326 343.671,1327 7916,1329 14.82,1330 0.706,1331 0.557,1332 14.82,1333 11.7,1334 10.152,1335 0.441,1336 0.28,1337 6.316,1338 9.637,1339 6.12,1340 5.127,1341 10.152,1342 6.44,1343 9.261,1344 0.289,1345 0.143,1346 9.261,1347 4.569,1348 7.325,1349 0.179,1350 0.074,1351 7.325,1352 3.022,1353 6.333,1354 0.115,1355 0.038,1356 6.333,1357 2.067,1358 4.998,1359 0.074,1360 0.02,1361 4.998,1362 1.355,1363 0.371,1364 64.406,1365 0.256,1366 20.788,1367 0.667,1368 110,1369 360.739,1370 123.891,1371 345.869,1372 475.33,1373 324,1374 128,1375 357.771,1376 141.34,1377 360.292,1378 521.36,1379 337,1380 4.1}
{0 CHEMBL2064481,1 1.646,2 9.81,3 2.149,4 4.616,5 79.06,6 8.067,7 0.696,8 3.683,9 3.797,10 3.322,11 3.191,12 4.884,13 3.205,14 4.161,15 4.322,16 3.667,17 3.528,18 5.381,19 3.533,20 4.283,21 4.453,22 3.614,23 3.604,24 5.458,25 3.584,26 4.283,27 4.479,28 3.511,29 3.569,30 5.436,31 3.507,32 4.258,33 4.502,34 3.355,35 3.448,36 5.282,37 3.374,38 4.117,39 4.359,40 3.247,41 3.309,42 5.152,43 3.247,44 3.898,45 4.075,46 3.125,47 3.123,48 5.099,49 3.09,50 3.805,51 4.025,52 2.841,53 2.949,54 4.857,55 2.868,56 0.074,57 0.546,58 6.125,59 2.841,60 5.224,61 3.459,62 0.289,63 0.829,64 11.926,65 4.589,66 20.388,67 5.753,68 0.311,69 0.899,70 13.932,71 4.935,72 33.002,73 6.047,74 0.278,75 0.89,76 14.179,77 5.324,78 28.791,79 7.209,80 0.278,81 0.839,82 15.37,83 4.959,84 23.371,85 7.146,86 0.205,87 0.706,88 13.552,89 4.516,90 18.551,91 6.366,92 0.236,93 0.56,94 9.876,95 3.46,96 22.715,97 4.28,98 0.2,99 0.495,100 9.626,101 3.289,102 18.751,103 4.453,104 15,105 32,106 0.298,107 0.656,108 0.764,109 0.824,110 0.838,111 0.838,112 3.103,113 0.84,114 -4.03,115 -3.98,116 -3.77,119 42.9,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 2,175 6,178 3,180 1,183 8,187 7,190 1,195 7,198 2,199 8,204 1,207 4,211 1,212 7,217 2,220 2,224 6,229 1,232 1,236 1,237 5,242 2,245 2,249 1,250 1,255 2,258 1,262 1,263 2,271 2,275 531,276 14.196,277 14.196,278 14.196,279 14.196,280 14.196,281 12.219,282 11.153,283 8.335,284 14.554,285 11.319,286 11.319,287 11.319,288 11.319,289 11.319,290 8.254,291 14.41,292 3.924,293 11.825,294 3.483,295 1.505,296 0.908,297 0.579,298 0.5,299 0.5,300 3.784,303 1,304 1,305 1,306 438,307 2.828,310 46.175,311 117.547,314 82.618,318 1.628,319 16.362,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 206,332 4.514,333 3.536,334 6.338,335 4.014,336 3.061,337 4.453,338 1.907,339 9.781,340 2.938,341 4.159,342 3.059,343 6.051,344 3.743,345 2.775,346 3.786,347 0.86,348 8.796,349 2.667,350 3.764,351 2.872,352 5.306,353 3.366,354 2.415,355 3.194,356 0.149,357 6.814,358 2.298,359 3.608,360 2.627,361 5.244,362 3.24,363 2.269,364 2.872,366 6.557,367 2.191,368 3.203,369 2.113,370 4.484,371 2.731,372 1.754,373 2.414,375 4.498,376 1.695,377 3.025,378 1.561,379 4.385,380 2.487,381 1.53,382 2.282,384 4.383,385 1.461,386 2.86,387 1.506,388 4.261,389 2.378,390 1.406,391 2.009,393 3.858,394 1.36,395 2.5,396 1.015,397 3.414,398 2,399 1,400 1.5,402 2.275,403 1,404 1.927,405 1,406 3.169,407 1.454,408 0.547,409 0.691,411 1.162,412 0.488,413 1.643,414 0.59,415 2.831,416 1.3,417 0.377,418 0.495,420 0.706,421 0.348,422 1.104,423 0.421,424 2.56,425 0.727,426 -0.226,427 -0.273,428 -0.602,429 -0.214,430 0.888,431 -0.015,432 2.431,433 0.496,434 -0.451,435 -0.568,436 -0.965,437 -0.422,438 0.641,439 -0.199,440 2.17,441 0.137,442 -0.827,443 -1.129,445 -2,446 -0.781,447 0.53,448 -0.697,449 2,450 0.089,451 -0.948,452 -1.325,454 -2.208,455 -0.908,456 0.5,457 -0.9,458 1.706,459 0.009,460 -1,461 -1.425,463 -2.756,464 -1,465 9.767,466 0.465,467 0.52,468 0.025,469 30.5,470 1.452,471 16.5,472 0.786,473 14,474 0.667,475 12.466,476 0.594,477 22.033,478 0.63,479 20.512,480 0.977,481 6.281,482 0.299,483 3.871,484 0.184,485 0.137,487 0.348,493 0.761,494 1.307,495 0.697,496 1.095,497 0.623,498 0.918,499 0.858,500 0.945,501 0.734,502 0.867,503 0.582,504 0.803,505 1.326,506 1.021,507 1.112,508 0.923,509 1.382,510 0.964,511 0.72,512 1.217,513 1.036,514 1.168,515 0.54,516 1.167,517 0.723,518 0.998,519 0.969,520 0.953,521 0.688,522 0.978,523 0.812,524 0.945,525 0.856,526 0.919,527 0.57,528 0.883,529 1.368,530 1.111,531 1.18,532 1.119,533 1.517,534 1.123,535 0.992,536 1.115,537 1.148,538 1.188,539 0.977,540 1.201,541 5,542 0.065,543 2,544 1.354,545 0.836,546 0.83,547 0.373,548 0.238,549 0.153,550 0.126,551 4426,552 13514,553 2.074,554 40,556 9,557 1,559 1,560 3,564 1.628,565 1.938,566 3.274,567 -0.244,569 1,571 1,573 57.619,574 1.646,575 3.624,576 4.221,577 4.55,578 4.629,579 4.629,580 2.761,581 3.88,582 4.356,583 3.394,584 712.67,585 7.45,586 7531.97,587 1,588 1,590 1,591 179.525,592 1.418,593 4.322,594 0.217,595 0.008,596 0.063,597 0.045,598 0.032,599 0.038,600 0.019,601 0.014,602 0.013,603 0.011,604 0.46,605 0.67,606 1,607 1.142,608 95.407,609 -0.003,610 -0.152,611 0.06,612 -0.104,613 -0.082,614 -0.029,615 0.128,616 0.139,617 0.146,618 0.095,619 0.122,620 0.102,621 -0.273,622 0.039,623 -0.216,624 0.031,625 -0.267,626 -0.062,627 0.047,628 -0.197,629 -0.135,630 -0.189,631 0.102,632 -0.203,633 -0.004,634 -0.004,635 0.006,636 -0.001,637 -0.033,638 0.013,639 -0.035,640 0.008,641 0.137,642 0.058,643 0.133,644 0.132,645 -0.159,646 -0.13,647 -0.229,648 -0.154,649 -0.204,650 -0.201,651 -0.016,652 -0.179,653 -0.155,654 -0.217,655 -0.098,656 -0.217,657 1.86,658 4.027,659 0.714,660 18.327,661 1.014,662 1.128,663 2.801,664 7.846,665 0.678,666 3.178,667 3.497,668 3.738,669 4.007,670 4.22,671 4.344,672 4.489,673 4.543,674 4.585,675 4.654,676 5.629,677 0.661,678 282.33,679 3.178,680 4.71,681 5.549,682 6.425,683 7.286,684 8.168,685 9.039,686 9.925,687 10.801,688 11.688,689 11.4,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,729 1,731 35,733 17,734 1,735 23,737 37,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 5,783 1,784 6,790 4,794 0.667,795 2,805 1,811 1,812 2,815 1,826 1,840 2,844 2,848 21,855 1,856 1,867 1,870 5.7,873 1,875 1,877 10.833,878 7.017,879 4.639,880 1.911,881 3.197,882 1.464,883 0.989,884 3.585,885 10.082,886 3.497,887 4.139,888 4.742,889 5.393,890 5.955,891 6.352,892 6.853,893 7.277,894 7.566,895 7.969,896 0.857,897 30,898 7.676,900 3.183,901 7.833,902 14.418,904 11.344,905 2.333,906 49,910 153.024,911 105.547,912 52.623,914 36.145,917 105.547,918 189.169,919 52.623,920 19.708,921 18.011,922 65.905,923 65.013,924 23.778,925 13.67,926 141.253,928 153.024,929 158.17,930 36.145,933 153.024,934 36.145,937 31.614,938 93.107,939 33.449,941 153.024,942 88.768,943 105.547,946 153.024,947 19.934,948 86.777,949 18.011,950 69.593,951 153.024,952 88.768,953 105.547,955 0.578,956 0.323,957 0.174,958 0.095,959 16,960 7,961 0.081,962 3,963 1,964 1.133,965 3.383,966 158.861,967 0.133,968 15,969 88.239,974 13.587,975 5.542,976 2.879,977 0.677,978 87.604,979 13.46,980 8.437,984 3.168,986 18.011,987 347.339,988 32,993 11.027,997 -0.193,999 35.48,1000 39.488,1001 0.321,1002 0.707,1003 0.823,1004 0.887,1005 0.902,1006 0.902,1007 4.71,1008 1,1009 5.533,1010 3.858,1011 4.174,1012 4.824,1013 2.143,1014 6.319,1015 4.094,1016 5.935,1017 0.547,1018 7.074,1019 2.275,1020 3.761,1021 4.677,1022 1.593,1023 7.14,1024 3.647,1025 7.248,1026 0.377,1027 8.707,1028 1.162,1029 5.746,1030 7.086,1031 2.962,1032 10.195,1033 5.583,1034 8.596,1035 -0.226,1036 10.393,1037 0.706,1038 6.111,1039 7.748,1040 3.032,1041 11.819,1042 5.905,1043 9.971,1044 -0.451,1045 12.112,1046 -0.602,1047 7.581,1048 9.638,1049 4.052,1050 14.378,1051 7.338,1052 11.368,1053 -0.827,1054 13.855,1055 -0.965,1056 8.316,1057 10.704,1058 4.409,1059 16.352,1060 8.025,1061 12.781,1062 -0.948,1063 15.615,1064 -2,1065 9.568,1066 12.368,1067 5.254,1068 18.725,1069 9.244,1070 3.061,1071 -1,1072 17.388,1073 -2.208,1074 10.486,1075 13.642,1076 5.75,1077 20.858,1078 10.114,1079 2.775,1080 9.781,1081 19.172,1082 -2.756,1083 11.644,1084 15.202,1085 6.502,1086 23.16,1087 11.238,1088 2.415,1089 8.796,1090 20.964,1091 4.453,1092 12.654,1093 16.583,1094 7.068,1095 25.363,1096 12.201,1097 2.269,1098 6.814,1099 22.763,1100 3.786,1101 13.773,1102 18.097,1103 7.771,1104 27.639,1105 13.285,1106 1.754,1107 6.557,1108 24.568,1109 3.194,1110 14.829,1111 19.531,1112 8.374,1113 29.875,1114 14.295,1115 1.53,1116 4.498,1117 26.378,1118 2.872,1119 15.934,1120 21.027,1121 9.051,1122 32.142,1123 15.363,1124 1.406,1125 4.383,1126 28.192,1127 2.414,1128 17.013,1129 22.488,1130 9.674,1131 34.394,1132 16.399,1133 4371,1134 7750,1135 15.315,1136 23.739,1137 34.583,1138 35.243,1139 35.31,1140 34.212,1141 34.265,1142 47.392,1143 5.832,1144 97.659,1145 32.891,1146 5.25,1147 5.536,1148 5.889,1149 5.061,1150 5.061,1151 7.453,1152 3.306,1153 16.248,1154 4.938,1155 10.251,1156 1.504,1157 1.532,1158 1.535,1159 1.487,1160 1.49,1161 2.061,1162 0.254,1163 4.246,1164 1.43,1165 4.116,1166 4.168,1167 4.09,1168 3.976,1169 7.43,1170 3.992,1171 3.863,1172 3.893,1173 3.814,1174 3.735,1175 5.153,1176 3.754,1177 3.576,1178 3.621,1179 3.494,1180 3.349,1181 4.861,1182 3.377,1183 3.311,1184 3.361,1185 3.222,1186 3.102,1187 4.447,1188 3.125,1189 3.166,1190 3.242,1191 2.992,1192 2.918,1193 4.206,1194 2.923,1195 2.902,1196 2.973,1197 2.779,1198 2.748,1199 3.901,1200 2.743,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.834,1206 2.715,1207 2.727,1208 2.831,1209 2.545,1210 2.491,1211 3.674,1212 2.494,1213 0.196,1214 0.154,1215 0.276,1216 0.175,1217 0.133,1218 4.514,1219 0.194,1220 3.536,1221 0.083,1222 6.338,1223 0.425,1224 4.014,1225 0.128,1226 3.061,1227 4.453,1228 1.907,1229 9.781,1230 2.938,1231 1.981,1232 1.956,1233 2.064,1234 2.094,1235 1.18,1236 2.083,1237 1.746,1238 1.712,1239 1.852,1240 1.896,1241 0.925,1242 1.885,1243 1.52,1244 1.465,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.206,1250 1.144,1251 1.564,1252 1.503,1253 0.573,1254 1.523,1255 1.167,1256 1.087,1257 1.337,1258 1.457,1259 0.302,1260 1.436,1261 0.902,1262 0.841,1263 1.181,1264 1.113,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.069,1270 1.062,1271 0.156,1272 1.102,1273 0.778,1274 0.694,1275 1.033,1276 1.019,1277 0.079,1278 1.041,1279 3.85,1281 5.165,1282 2.398,1283 6.666,1284 4.727,1285 8.251,1286 6.823,1287 9.882,1289 3.064,1296 2.57,1297 5.148,1305 23.149,1306 57.619,1307 126.854,1308 147.75,1309 159.26,1310 162.015,1311 162.015,1312 24.848,1313 6.884,1314 68.52,1315 68.52,1316 17,1317 12.221,1318 4.17,1319 3.322,1320 32.337,1321 71,1322 74,1323 0.232,1324 144.226,1325 238.74,1326 343.671,1327 7916,1329 14.82,1330 0.706,1331 0.557,1332 14.82,1333 11.7,1334 10.152,1335 0.441,1336 0.28,1337 6.316,1338 9.637,1339 6.12,1340 5.126,1341 10.152,1342 6.44,1343 9.249,1344 0.289,1345 0.143,1346 9.249,1347 4.566,1348 7.393,1349 0.18,1350 0.074,1351 7.393,1352 3.042,1353 6.27,1354 0.116,1355 0.038,1356 6.27,1357 2.048,1358 4.873,1359 0.073,1360 0.02,1361 4.873,1362 1.32,1363 0.363,1364 64.406,1365 0.256,1366 20.926,1367 0.638,1368 110,1369 360.739,1370 123.891,1371 345.805,1372 475.31,1373 324,1374 128,1375 357.771,1376 141.34,1377 360.155,1378 521.08,1379 337,1380 4.6}
{0 CHEMBL2064482,1 1.676,2 9.957,3 2.132,4 4.546,5 85.523,6 8.009,7 0.64,8 3.791,9 3.9,10 3.419,11 3.258,12 4.995,13 3.281,14 4.281,15 4.444,16 3.761,17 3.588,18 5.483,19 3.608,20 4.368,21 4.516,22 3.775,23 3.691,24 5.58,25 3.692,26 4.43,27 4.603,28 3.719,29 3.71,30 5.602,31 3.673,32 4.488,33 4.704,34 3.57,35 3.646,36 5.532,37 3.589,38 4.38,39 4.608,40 3.458,41 3.553,42 5.402,43 3.478,44 4.26,45 4.481,46 3.35,47 3.376,48 5.359,49 3.317,50 4.099,51 4.338,52 3.122,53 3.176,54 5.129,55 3.101,56 0.1,57 0.592,58 7.058,59 3.233,60 6.09,61 3.916,62 0.401,63 0.883,64 14.382,65 5.103,66 26.521,67 6.323,68 0.441,69 0.964,70 15.013,71 5.358,72 35.823,73 6.533,74 0.346,75 1.003,76 16.214,77 6.162,78 31.125,79 8.092,80 0.481,81 0.989,82 19.532,83 6.154,84 33.532,85 8.319,86 0.34,87 0.882,88 17.503,89 6.061,90 24.119,91 8.455,92 0.392,93 0.746,94 15.969,95 5.24,96 33.564,97 7.156,98 0.33,99 0.64,100 13.697,101 4.227,102 25.116,103 6.075,104 27,105 35,106 0.297,107 0.647,108 0.755,109 0.817,110 0.835,111 0.844,112 3.188,113 0.836,114 -3.79,115 -3.75,116 -3.57,119 41,120 1,124 2,142 5,143 2,144 2,150 1,151 1,158 1,161 1,166 1,172 6,174 2,175 6,178 3,180 1,183 6,186 1,187 9,190 1,195 5,198 2,199 10,204 1,207 3,211 1,212 7,217 2,220 1,223 1,224 6,229 1,232 1,236 2,237 4,242 2,245 2,249 2,250 1,255 1,258 1,262 1,263 2,266 1,271 2,275 702,276 15.566,277 15.566,278 15.566,279 15.566,280 15.566,281 13.588,282 14.072,283 9.047,284 16.089,285 12.235,286 12.235,287 12.235,288 12.235,289 12.235,290 9.071,291 17.699,292 4.143,293 12.91,294 3.609,295 1.632,296 1.022,297 0.673,298 0.571,299 0.52,300 3.868,303 1,304 1,305 1,306 482,307 3.082,310 52.151,311 131.621,314 92.451,318 1.614,319 20.359,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51,331 229,332 4.521,333 3.536,334 6.362,335 4.035,336 3.077,337 4.455,338 1.907,339 9.851,340 2.965,341 4.295,342 3.215,343 6.199,344 3.851,345 2.907,346 3.967,347 0.86,348 9.281,349 2.732,350 3.904,351 3.026,352 5.933,353 3.529,354 2.573,355 3.357,356 0.86,357 8.344,358 2.444,359 3.627,360 2.654,361 5.255,362 3.266,363 2.289,364 2.89,365 0.149,366 6.601,367 2.232,368 3.205,369 2.187,370 4.514,371 2.732,372 1.754,373 2.419,375 4.545,376 1.697,377 3.026,378 2.103,379 4.403,380 2.523,381 1.612,382 2.284,384 4.384,385 1.463,386 2.919,387 1.539,388 4.365,389 2.486,390 1.528,391 2.058,393 4.168,394 1.459,395 2.859,396 1.485,397 4.236,398 2.372,399 1.395,400 2.009,402 3.797,403 1.356,404 1.955,405 1.012,406 3.174,407 1.581,408 0.679,409 0.818,411 1.292,412 0.606,413 1.838,414 0.933,415 3.038,416 1.372,417 0.425,418 0.601,420 1.015,421 0.399,422 1.454,423 0.59,424 2.721,425 1.181,426 0.322,427 0.36,428 0.442,429 0.276,430 1.104,431 0.421,432 2.54,433 0.727,434 -0.226,435 -0.272,436 -0.594,437 -0.213,438 0.891,439 0.004,440 2.452,441 0.509,442 -0.426,443 -0.521,445 -0.851,446 -0.391,447 0.656,448 -0.042,449 2.257,450 0.192,451 -0.744,452 -0.952,454 -1.922,455 -0.684,456 0.586,457 -0.521,458 2.127,459 0.112,460 -0.869,461 -1.201,463 -2,464 -0.837,465 10.6,466 0.461,467 0.571,468 0.025,469 32.5,470 1.413,471 17,472 0.739,473 15.5,474 0.674,475 14.968,476 0.651,477 24.8,478 0.636,479 23.386,480 1.017,481 6.781,482 0.295,483 4.32,484 0.188,485 0.173,487 0.368,493 0.809,494 1.388,495 0.705,496 1.189,497 0.648,498 0.967,499 1.057,500 0.878,501 0.735,502 0.767,503 0.673,504 0.705,505 1.181,506 1.056,507 1.036,508 0.943,509 1.339,510 0.947,511 0.841,512 1.273,513 1.016,514 1.228,515 0.569,516 1.175,517 1.114,518 0.979,519 1.124,520 0.954,521 0.81,522 1.019,523 0.758,524 1.033,525 0.951,526 1.079,527 0.584,528 1.058,529 0.965,530 1.025,531 0.965,532 1.029,533 1.128,534 1.013,535 0.818,536 1.043,537 1.001,538 1.062,539 0.791,540 1.066,541 5.5,542 0.098,543 2.444,544 1.667,545 1.227,546 0.948,547 0.434,548 0.303,549 0.23,550 0.151,551 5440,552 17160,553 2.041,554 41,556 11,557 1,559 1,560 3,564 1.656,565 1.89,566 3.308,567 -0.241,568 1,569 1,571 1,573 65.376,574 1.676,575 3.653,576 4.263,577 4.612,578 4.715,579 4.766,580 2.794,581 4.143,582 4.49,583 3.439,584 870.108,585 7.728,586 9822.15,587 1,588 1,590 1,591 206.131,592 1.478,593 4.443,594 0.22,595 0.01,596 0.07,597 0.048,598 0.038,599 0.035,600 0.018,601 0.014,602 0.014,603 0.011,604 0.478,605 0.33,606 1,607 1.216,608 107.702,609 -0.024,610 -0.203,611 0.065,612 -0.153,613 -0.08,614 -0.049,615 0.009,616 0.198,617 0.179,618 0.209,619 0.082,620 0.213,621 -0.131,622 0.047,623 -0.159,624 0.036,625 -0.219,626 -0.046,627 -0.009,628 -0.22,629 -0.134,630 -0.224,631 0.087,632 -0.214,633 -0.168,634 0.01,635 -0.153,636 0.005,637 -0.115,638 -0.053,639 0.01,640 -0.075,641 0.012,642 -0.081,643 0.079,644 -0.039,645 0.022,646 -0.105,647 0.038,648 -0.045,649 -0.057,650 -0.013,651 0.069,652 -0.1,653 0.008,654 -0.109,655 0.003,656 -0.072,657 1.874,658 4.083,659 0.652,660 20.548,661 1.018,662 1.131,663 2.559,664 6.551,665 0.666,666 3.258,667 3.584,668 3.85,669 4.127,670 4.331,671 4.454,672 4.605,673 4.682,674 4.754,675 4.844,676 5.838,677 0.651,678 312.36,679 3.258,680 4.796,681 5.645,682 6.529,683 7.399,684 8.289,685 9.167,686 10.058,687 10.942,688 11.834,689 10.3,696 1,697 1,699 2,703 1,704 6,705 2,709 5,711 16,729 2,731 39,733 17,734 1,735 25,737 41,738 16,739 12,740 3,741 3,746 3,747 4,752 1,761 13,762 3,766 1,771 1,775 1,777 1,778 1,781 16,782 6,783 1,784 7,790 4,794 0.667,795 3,805 1,811 1,812 2,815 1,826 1,840 2,844 3,848 23,855 1,856 2,867 1,870 7.7,873 1,875 2,877 12.167,878 8.1,879 5.167,880 2.071,881 3.224,882 1.456,883 0.97,884 4.279,885 10.303,886 3.555,887 4.201,888 4.817,889 5.465,890 6.024,891 6.431,892 6.93,893 7.365,894 7.689,895 8.111,896 0.857,897 35,898 8.408,900 3.463,901 7.855,902 15.727,904 12.236,905 2.355,906 54.167,910 176.567,911 112.197,912 52.623,914 47.145,917 112.197,918 223.711,919 52.623,920 30.591,921 18.011,922 56.429,923 65.013,924 40.022,925 13.67,926 164.795,928 176.567,929 164.82,930 47.145,933 176.567,934 47.145,937 31.614,938 99.757,939 33.449,941 176.567,942 99.768,943 112.197,946 176.567,947 25.177,948 88.184,949 18.011,950 80.593,951 176.567,952 99.768,953 112.197,955 0.576,956 0.336,957 0.187,958 0.099,959 17,960 8,961 0.098,962 4,963 1,964 1.133,965 3.489,966 182.05,967 0.133,968 15,969 104.042,974 15.466,975 6.363,976 3.183,977 0.651,978 98.604,979 11.296,980 8.457,984 3.509,986 18.011,987 388.532,988 34,993 11.083,997 -0.207,999 39.691,1000 44.113,1001 0.317,1002 0.691,1003 0.807,1004 0.873,1005 0.892,1006 0.902,1007 4.779,1008 1.395,1009 5.638,1010 4.168,1011 4.263,1012 4.887,1013 2.303,1014 6.45,1015 4.166,1016 6.009,1017 0.679,1018 7.198,1019 3.797,1020 3.892,1021 4.796,1022 1.593,1023 7.334,1024 3.765,1025 7.331,1026 0.425,1027 8.852,1028 1.292,1029 5.861,1030 7.162,1031 3.017,1032 10.398,1033 5.675,1034 8.689,1035 0.322,1036 10.558,1037 1.015,1038 6.275,1039 7.874,1040 3.032,1041 12.068,1042 6.044,1043 10.076,1044 -0.226,1045 12.298,1046 0.442,1047 7.729,1048 9.732,1049 4.066,1050 14.635,1051 7.455,1052 11.482,1053 -0.426,1054 14.06,1055 -0.594,1056 8.506,1057 10.829,1058 4.409,1059 16.634,1060 8.18,1061 12.905,1062 -0.744,1063 15.838,1064 -0.851,1065 9.749,1066 12.472,1067 5.257,1068 19.015,1069 9.387,1070 3.077,1071 -0.869,1072 17.628,1073 -1.922,1074 10.698,1075 13.762,1076 5.75,1077 21.158,1078 10.284,1079 2.907,1080 9.851,1081 19.426,1082 -2,1083 11.853,1084 15.309,1085 6.503,1086 23.465,1087 11.404,1088 2.573,1089 9.281,1090 21.232,1091 4.455,1092 12.882,1093 16.694,1094 7.068,1095 25.673,1096 12.384,1097 2.289,1098 8.344,1099 23.043,1100 3.967,1101 14.003,1102 18.2,1103 7.771,1104 27.952,1105 13.469,1106 1.754,1107 6.601,1108 24.858,1109 3.357,1110 15.07,1111 19.633,1112 8.374,1113 30.19,1114 14.491,1115 1.612,1116 4.545,1117 26.676,1118 2.89,1119 16.178,1120 21.122,1121 9.051,1122 32.459,1123 15.562,1124 1.528,1125 4.384,1126 28.498,1127 2.419,1128 17.264,1129 22.579,1130 9.674,1131 34.712,1132 16.607,1133 5416,1134 9735,1135 16.414,1136 25.955,1137 37.288,1138 38.373,1139 38.958,1140 37,1141 37.122,1142 50.436,1143 7.552,1144 107.44,1145 35.258,1146 5.256,1147 5.536,1148 5.915,1149 5.083,1150 5.077,1151 7.455,1152 3.306,1153 16.389,1154 4.965,1155 12.467,1156 1.492,1157 1.535,1158 1.558,1159 1.48,1160 1.485,1161 2.017,1162 0.302,1163 4.298,1164 1.41,1165 4.117,1166 4.169,1167 4.092,1168 3.976,1169 7.43,1170 3.994,1171 3.877,1172 3.899,1173 3.839,1174 3.736,1175 5.154,1176 3.76,1177 3.578,1178 3.623,1179 3.498,1180 3.351,1181 4.923,1182 3.379,1183 3.321,1184 3.369,1185 3.236,1186 3.109,1187 4.497,1188 3.134,1189 3.247,1190 3.314,1191 3.051,1192 2.954,1193 4.427,1194 2.962,1195 3.153,1196 3.229,1197 2.985,1198 2.917,1199 4.158,1200 2.923,1201 2.9,1202 2.971,1203 2.775,1204 2.747,1205 3.901,1206 2.741,1207 2.777,1208 2.86,1209 2.593,1210 2.63,1211 3.829,1212 2.608,1213 0.181,1214 0.141,1215 0.254,1216 0.161,1217 0.123,1218 4.521,1219 0.178,1220 3.536,1221 0.076,1222 6.362,1223 0.394,1224 4.035,1225 0.119,1226 3.077,1227 4.455,1228 1.907,1229 9.851,1230 2.965,1231 1.978,1232 1.956,1233 2.053,1234 2.095,1235 1.182,1236 2.081,1237 1.744,1238 1.714,1239 1.841,1240 1.906,1241 0.924,1242 1.885,1243 1.52,1244 1.465,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.211,1250 1.151,1251 1.576,1252 1.524,1253 0.574,1254 1.539,1255 1.191,1256 1.115,1257 1.556,1258 1.49,1259 0.571,1260 1.512,1261 1.166,1262 1.086,1263 1.336,1264 1.457,1265 0.299,1266 1.436,1267 0.9,1268 0.838,1269 1.114,1270 1.109,1271 0.181,1272 1.103,1273 0.795,1274 0.721,1275 1.063,1276 1.026,1277 0.103,1278 1.057,1279 3.932,1281 5.252,1282 2.398,1283 6.765,1284 4.727,1285 8.367,1286 6.823,1287 10.017,1289 4.616,1296 2.568,1297 10.571,1305 25.391,1306 65.376,1307 142.482,1308 166.256,1309 179.866,1310 183.866,1311 185.866,1312 30.478,1313 7.078,1314 77.75,1315 77.75,1316 17,1317 12.363,1318 4.17,1319 3.322,1320 36.924,1321 80,1322 77,1323 0.232,1324 157.814,1325 264.83,1326 376.827,1327 9994,1329 16.397,1330 0.713,1331 0.567,1332 16.397,1333 13.03,1334 11.101,1335 0.444,1336 0.279,1337 6.803,1338 10.438,1339 6.563,1340 5.513,1341 11.101,1342 6.969,1343 9.97,1344 0.285,1345 0.14,1346 9.97,1347 4.907,1348 8.153,1349 0.177,1350 0.073,1351 8.153,1352 3.336,1353 7.03,1354 0.115,1355 0.037,1356 7.03,1357 2.28,1358 5.44,1359 0.073,1360 0.02,1361 5.44,1362 1.478,1363 0.362,1364 71.213,1365 0.247,1366 22.526,1367 0.641,1368 120,1369 416.475,1370 136.769,1371 392.09,1372 536.32,1373 368,1374 141,1375 399.316,1376 157.772,1377 401.806,1378 582.75,1379 374,1380 6.5}
{0 CHEMBL2064483,1 1.84,2 9.435,3 1.691,4 2.859,5 86.351,6 8.93,7 0.64,8 3.741,9 3.834,10 3.624,11 3.339,12 4.909,13 3.307,14 4.249,15 4.382,16 3.897,17 3.685,18 5.702,19 3.661,20 4.434,21 4.587,22 3.829,23 3.759,24 5.758,25 3.718,26 4.408,27 4.584,28 3.765,29 3.711,30 5.696,31 3.647,32 4.364,33 4.573,34 3.67,35 3.616,36 5.552,37 3.55,38 4.264,39 4.455,40 3.587,41 3.54,42 5.489,43 3.466,44 4.196,45 4.381,46 3.481,47 3.374,48 5.508,49 3.309,50 4.044,51 4.282,52 3.255,53 3.131,54 5.296,55 3.052,56 0.126,57 0.604,58 7.613,59 3.63,60 15.196,61 3.591,62 0.378,63 0.937,64 14.676,65 5.999,66 47.402,67 6.475,68 0.505,69 1.034,70 17.527,71 6.571,72 69.341,73 6.57,74 0.42,75 1.003,76 16.366,77 6.616,78 50.091,79 7.648,80 0.412,81 0.952,82 17.534,83 6.163,84 40.115,85 7.323,86 0.32,87 0.862,88 16.663,89 5.964,90 29.512,91 6.883,92 0.434,93 0.763,94 15.172,95 5.226,96 47.576,97 5.857,98 0.398,99 0.641,100 14.33,101 4.301,102 50.005,103 5.384,104 31,105 37,106 0.326,107 0.661,108 0.784,109 0.858,110 0.868,111 0.868,112 3.188,113 1.04,114 -3.93,115 -3.89,116 -3.69,119 40.5,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 3,175 4,178 3,180 1,183 8,187 9,190 1,195 6,198 2,199 11,204 1,207 4,211 1,212 9,217 2,220 2,224 7,229 1,232 2,236 2,237 6,242 2,245 2,249 2,250 2,255 1,258 1,262 2,263 2,268 1,271 2,275 693,276 14.798,277 14.798,278 14.798,279 14.798,280 14.798,281 12.519,282 9.992,283 8.514,284 15.221,285 12.383,286 12.383,287 12.383,288 12.383,289 12.383,290 8.822,291 12.243,292 4.089,293 13.124,294 3.369,295 1.478,296 0.784,297 0.365,298 0.311,299 0.311,300 3.863,303 1,304 1,305 1,306 456,307 3.606,310 50.959,311 130.407,314 90.166,318 1.671,319 31.484,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51,331 217,332 4.808,333 5.18,334 7.118,335 4.199,336 3.325,337 4.669,338 2.95,339 11.701,340 2.973,341 4.51,342 3.536,343 6.336,344 3.993,345 3.05,346 4.449,347 1.907,348 9.775,349 2.806,350 4.1,351 3.055,352 6.045,353 3.684,354 2.716,355 3.686,356 0.149,357 8.783,358 2.593,359 3.662,360 2.8,361 5.258,362 3.288,363 2.313,364 2.989,366 6.623,367 2.251,368 3.38,369 2.517,370 4.747,371 2.867,372 1.88,373 2.703,375 5.206,376 1.843,377 3.145,378 2.106,379 4.437,380 2.656,381 1.685,382 2.365,384 4.385,385 1.622,386 3.009,387 1.583,388 4.372,389 2.473,390 1.515,391 2.239,393 4.311,394 1.446,395 2.731,396 1.514,397 4.168,398 2.209,399 1.228,400 1.821,402 3.485,403 1.199,404 2.579,405 1.118,406 3.48,407 2.076,408 1.082,409 1.613,411 2.492,412 1.074,413 1.903,414 0.658,415 3.163,416 1.375,417 0.411,418 0.611,420 1.081,421 0.395,422 1.107,423 0.588,424 2.756,425 0.726,426 -0.229,427 -0.277,428 -0.631,429 -0.217,430 1,431 0.409,432 2.63,433 0.448,434 -0.524,435 -0.705,436 -1.386,437 -0.505,438 0.888,439 -0.019,440 2.507,441 0.203,442 -0.751,443 -0.998,445 -2,446 -0.682,447 0.71,448 -0.123,449 2.202,450 0.108,451 -0.887,452 -1.231,454 -2.105,455 -0.793,456 0.609,457 -0.52,458 2,459 0.078,460 -1,461 -1.274,463 -2.602,464 -0.865,465 10.933,466 0.475,467 0.846,468 0.037,469 34,470 1.478,471 19,472 0.826,473 15,474 0.652,475 14.746,476 0.641,477 24.467,478 0.661,479 24.777,480 1.077,481 6.59,482 0.287,483 4.235,484 0.184,485 0.183,486 0.076,487 0.311,493 0.522,494 1.269,495 0.793,496 1.192,497 0.635,498 0.902,499 0.557,500 1.024,501 0.943,502 1.079,503 0.517,504 0.877,505 1.393,506 0.972,507 1.147,508 0.916,509 1.335,510 0.983,511 0.863,512 1.127,513 0.925,514 1.007,515 0.82,516 1.094,517 0.89,518 0.944,519 0.893,520 0.854,521 0.753,522 0.92,523 0.902,524 1.115,525 1.052,526 1.13,527 0.742,528 1.081,529 1.165,530 1.12,531 1.059,532 1.067,533 1.286,534 1.122,535 0.967,536 0.875,537 0.824,538 0.788,539 0.936,540 0.875,541 7,542 0.087,543 2.667,544 1.854,545 1.093,546 1.122,547 0.477,548 0.357,549 0.265,550 0.18,551 5372,552 19290,553 2.006,554 37.8,556 9,557 1,559 1,560 3,564 1.656,565 1.828,566 3.235,567 -0.198,568 1,569 1,571 1,573 68.089,574 1.84,575 3.732,576 4.425,577 4.844,578 4.898,579 4.898,580 2.703,581 4.056,582 4.493,583 3.401,584 860.363,585 7.731,586 9702.27,587 1,588 1,590 1,591 192.75,592 1.72,593 4.418,594 0.28,595 0.01,596 0.072,597 0.055,598 0.035,599 0.04,600 0.019,601 0.017,602 0.017,603 0.013,604 0.557,605 0.5,606 1,607 1.178,608 107.446,609 0.081,610 -0.085,611 0.201,612 -0.06,613 -0.141,614 0.011,615 0.259,616 0.076,617 0.018,618 -0.045,619 0.241,620 0.045,621 -0.339,622 0.051,623 -0.26,624 0.025,625 -0.249,626 -0.082,627 -0.029,628 -0.141,629 -0.084,630 -0.094,631 -0.025,632 -0.139,633 -0.077,634 0.046,635 0.008,636 0.057,637 -0.041,638 0.057,639 -0.098,640 -0.135,641 -0.072,642 -0.131,643 0.015,644 -0.082,645 -0.081,646 -0.175,647 -0.097,648 -0.12,649 -0.166,650 -0.164,651 0.031,652 0.047,653 0.165,654 0.118,655 0.007,656 0.131,657 4.184,658 4.667,659 0.652,660 19.376,661 1.024,662 1.125,663 2.704,664 7.314,665 0.698,666 3.258,667 3.638,668 3.829,669 4.094,670 4.317,671 4.431,672 4.595,673 4.663,674 4.727,675 4.812,676 5.753,677 0.677,678 330.4,679 3.258,680 4.828,681 5.666,682 6.567,683 7.43,684 8.329,685 9.203,686 10.101,687 10.981,688 11.879,689 10.8,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 37,733 19,734 1,735 25,737 39,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 14,782 6,783 1,784 8,785 1,790 4,794 0.667,795 3,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 2,848 23,851 1,855 1,867 1,870 8.1,873 3,877 12.583,878 7.35,879 4.806,880 1.966,881 3.419,882 1.483,883 1.003,884 3.822,885 10.494,886 3.611,887 4.314,888 4.841,889 5.481,890 6.05,891 6.455,892 6.976,893 7.389,894 7.722,895 8.154,896 1,897 34,898 8.621,900 3.882,901 8.127,902 15.684,904 12.889,905 2.627,906 60.417,910 153.024,911 104.207,912 52.623,914 69.458,916 6.046,917 98.161,918 222.482,919 52.623,920 16.016,921 18.011,922 71.951,923 109.326,924 9.086,925 13.67,926 141.253,928 153.024,929 150.785,930 69.458,931 6.046,933 153.024,934 69.458,937 31.614,938 85.722,939 39.494,941 153.024,942 122.081,943 104.207,945 6.046,946 153.024,947 16.241,948 83.084,949 18.011,950 102.906,951 153.024,952 122.081,953 104.207,955 0.6,956 0.318,957 0.165,958 0.092,959 19,960 9,961 0.077,962 3,963 1,964 1.133,965 3.44,966 183.88,967 0.133,968 15,969 102.042,973 1,974 15.504,975 5.67,976 3.35,977 0.58,978 120.917,979 11.99,980 8.334,984 2.029,986 18.011,987 379.313,988 36,991 -3.267,993 34.387,997 -0.248,999 37.884,1000 41.617,1001 0.353,1002 0.716,1003 0.849,1004 0.93,1005 0.94,1006 0.94,1007 4.86,1008 1.228,1009 5.72,1010 4.311,1011 4.317,1012 5.001,1013 3.197,1014 6.578,1015 4.203,1016 6.144,1017 1.082,1018 7.319,1019 3.485,1020 4.205,1021 5.19,1022 1.593,1023 7.758,1024 3.952,1025 7.517,1026 0.411,1027 9.027,1028 2.492,1029 6.019,1030 7.394,1031 5.134,1032 10.743,1033 5.742,1034 8.928,1035 -0.229,1036 10.798,1037 1.081,1038 6.648,1039 8.345,1040 3.032,1041 12.699,1042 6.204,1043 10.37,1044 -0.524,1045 12.612,1046 -0.631,1047 8.041,1048 10.117,1049 7.226,1050 15.286,1051 7.562,1052 11.834,1053 -0.751,1054 14.455,1055 -1.386,1056 8.981,1057 11.392,1058 4.409,1059 17.534,1060 8.339,1061 13.317,1062 -0.887,1063 16.319,1064 -2,1065 10.226,1066 13.007,1067 9.364,1068 20.006,1069 9.524,1070 3.325,1071 -1,1072 18.2,1073 -2.105,1074 11.299,1075 14.421,1076 5.75,1077 22.368,1078 10.449,1079 3.05,1080 11.701,1081 20.094,1082 -2.602,1083 12.492,1084 15.977,1085 11.518,1086 24.81,1087 11.561,1088 2.716,1089 9.775,1090 21.997,1091 4.669,1092 13.623,1093 17.452,1094 7.068,1095 27.219,1096 12.556,1097 2.313,1098 8.783,1099 23.909,1100 4.449,1101 14.801,1102 18.986,1103 13.678,1104 29.658,1105 13.638,1106 1.88,1107 6.623,1108 25.828,1109 3.686,1110 15.958,1111 20.487,1112 8.374,1113 32.089,1114 14.668,1115 1.685,1116 5.206,1117 27.753,1118 2.989,1119 17.134,1120 22.014,1121 15.84,1122 34.531,1123 15.739,1124 1.515,1125 4.385,1126 29.683,1127 2.703,1128 18.304,1129 23.528,1130 9.674,1131 36.973,1132 16.787,1133 5353,1134 10266,1135 16.008,1136 25.841,1137 38.854,1138 40.737,1139 39.046,1140 38.522,1141 38.408,1142 54.289,1143 10.012,1144 115.685,1145 36.406,1146 5.543,1147 7.18,1148 6.66,1149 5.25,1150 5.325,1151 7.669,1152 5.9,1153 18.743,1154 4.973,1155 13.655,1156 1.554,1157 1.629,1158 1.562,1159 1.541,1160 1.536,1161 2.172,1162 0.4,1163 4.627,1164 1.456,1165 4.142,1166 4.178,1167 4.735,1168 4.111,1169 7.716,1170 4.043,1171 4.017,1172 4.008,1173 4.08,1174 3.895,1175 7.43,1176 3.876,1177 3.668,1178 3.677,1179 3.705,1180 3.575,1181 6.999,1182 3.53,1183 3.551,1184 3.586,1185 3.477,1186 3.337,1187 5.151,1188 3.357,1189 3.238,1190 3.296,1191 3.16,1192 3.067,1193 4.698,1194 3.082,1195 2.922,1196 2.988,1197 2.81,1198 2.786,1199 4.293,1200 2.783,1201 2.789,1202 2.878,1203 2.62,1204 2.63,1205 3.902,1206 2.61,1207 2.751,1208 2.853,1209 2.543,1210 2.529,1211 3.852,1212 2.525,1213 0.192,1214 0.207,1215 0.285,1216 0.168,1217 0.133,1218 4.808,1219 0.187,1220 5.18,1221 0.118,1222 7.118,1223 0.468,1224 4.199,1225 0.119,1226 3.325,1227 4.669,1228 2.95,1229 11.701,1230 2.973,1231 2.022,1232 2.022,1233 2.064,1234 2.104,1235 1.256,1236 2.116,1237 1.825,1238 1.814,1239 1.856,1240 1.946,1241 1.041,1242 1.97,1243 1.528,1244 1.521,1245 1.734,1246 1.805,1247 0.788,1248 1.775,1249 1.513,1250 1.463,1251 1.582,1252 1.654,1253 0.731,1254 1.704,1255 1.179,1256 1.108,1257 1.339,1258 1.457,1259 0.314,1260 1.437,1261 0.958,1262 0.904,1263 1.142,1264 1.142,1265 0.208,1266 1.137,1267 0.809,1268 0.729,1269 1.067,1270 1.043,1271 0.198,1272 1.082,1273 0.782,1274 0.697,1275 1.051,1276 1.03,1277 0.079,1278 1.065,1279 3.932,1281 5.293,1282 2.398,1283 6.825,1284 4.727,1285 8.435,1286 6.823,1287 10.088,1289 2.556,1296 2.521,1305 25.051,1306 68.089,1307 138.079,1308 163.73,1309 179.24,1310 181.24,1311 181.24,1312 43.54,1313 7.075,1314 93.43,1315 101.81,1316 17,1317 12.406,1318 4.322,1319 3.585,1320 36.911,1321 79,1322 77,1323 0.235,1324 159.353,1325 266.04,1326 380.581,1327 10052,1329 16.613,1330 0.722,1331 0.58,1332 16.863,1333 13.333,1334 10.826,1335 0.433,1336 0.347,1337 6.83,1338 9.581,1339 6.438,1340 5.369,1341 11.72,1342 8.665,1343 11.05,1344 0.299,1345 0.193,1346 12.437,1347 7.153,1348 7.863,1349 0.175,1350 0.096,1351 8.607,1352 4.325,1353 6.644,1354 0.113,1355 0.048,1356 7.164,1357 2.837,1358 5.312,1359 0.072,1360 0.026,1361 5.799,1362 1.959,1363 0.365,1364 77.273,1365 0.25,1366 22.452,1367 0.652,1368 124,1369 427.335,1370 171.972,1371 432.681,1372 579.49,1373 396,1374 144,1375 404.95,1376 196.513,1377 439.537,1378 631.16,1379 409,1380 4.3}
{0 CHEMBL2064484,1 1.86,2 10.125,3 1.549,4 2.398,5 91.432,6 8.857,7 0.615,8 3.797,9 3.899,10 3.669,11 3.348,12 4.962,13 3.331,14 4.301,15 4.442,16 3.909,17 3.682,18 5.779,19 3.669,20 4.487,21 4.662,22 3.805,23 3.75,24 5.751,25 3.714,26 4.42,27 4.615,28 3.81,29 3.735,30 5.653,31 3.668,32 4.417,33 4.607,34 3.741,35 3.674,36 5.655,37 3.62,38 4.382,39 4.595,40 3.648,41 3.619,42 5.556,43 3.541,44 4.26,45 4.455,46 3.544,47 3.465,48 5.522,49 3.393,50 4.157,51 4.374,52 3.371,53 3.259,54 5.394,55 3.177,56 0.15,57 0.659,58 8.495,59 3.494,60 15.66,61 3.664,62 0.465,63 0.991,64 16.213,65 5.974,66 50.237,67 6.732,68 0.605,69 1.075,70 17.199,71 6.006,72 80.432,73 6.491,74 0.38,75 1.042,76 18.359,77 6.851,78 33.867,79 8.431,80 0.463,81 1.003,82 17.29,83 6.121,84 44.198,85 7.132,86 0.397,87 0.943,88 18.083,89 6.488,90 35.601,91 7.925,92 0.386,93 0.824,94 17.234,95 5.749,96 40.21,97 6.654,98 0.456,99 0.705,100 16.141,101 4.908,102 46.987,103 5.954,104 34,105 38,106 0.326,107 0.672,108 0.797,109 0.866,110 0.875,111 0.875,112 3.228,113 1.029,114 -3.19,115 -3.18,116 -3.05,119 38.5,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 3,175 4,178 5,180 3,183 8,187 5,190 1,192 2,195 6,198 2,199 11,204 3,207 4,211 1,212 9,217 3,220 2,224 9,227 1,229 2,232 2,237 6,240 1,242 2,245 2,249 2,250 4,253 1,255 1,258 1,262 2,263 2,267 1,268 1,271 2,275 812,276 15.428,277 15.428,278 15.428,279 15.428,280 15.428,281 13.074,282 11.712,283 8.974,284 15.716,285 12.914,286 12.914,287 12.914,288 12.914,289 12.914,290 9.252,291 13.234,292 4.355,293 13.433,294 3.425,295 1.453,296 0.744,297 0.346,298 0.295,299 0.295,300 3.904,303 1,304 1,305 1,306 509,307 3.742,310 54.427,311 139.056,314 96.081,318 1.729,319 30.321,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 243,332 4.646,333 4.311,334 6.461,335 4.089,336 3.148,337 4.458,338 1.907,339 10.215,340 2.977,341 4.514,342 3.536,343 6.338,344 4.003,345 3.055,346 4.437,347 0.149,348 9.788,349 2.881,350 4.165,351 3.058,352 6.065,353 3.738,354 2.769,355 3.798,357 8.871,358 2.66,359 3.714,360 2.804,361 5.276,362 3.321,363 2.351,364 3.123,366 6.741,367 2.279,368 3.556,369 2.393,370 5.182,371 3.153,372 2.172,373 2.832,375 6.404,376 2.124,377 3.183,378 2.081,379 4.464,380 2.713,381 1.737,382 2.393,384 4.436,385 1.678,386 3.02,387 1.531,388 4.38,389 2.483,390 1.524,391 2.269,393 4.383,394 1.457,395 2.857,396 1.47,397 4.226,398 2.379,399 1.396,400 2.008,402 3.765,403 1.368,404 2.591,405 1.111,406 3.488,407 2.096,408 1.1,409 1.635,411 2.54,412 1.094,413 1.903,414 0.734,415 3.165,416 1.376,417 0.411,418 0.611,420 1.083,421 0.395,422 1.2,423 0.589,424 3.089,425 0.86,426 -0.101,427 -0.122,428 -0.29,429 -0.096,430 1.104,431 0.41,432 2.649,433 0.725,434 -0.23,435 -0.277,436 -0.634,437 -0.218,438 1,439 -0.019,440 2.509,441 0.423,442 -0.548,443 -0.731,445 -1.556,446 -0.529,447 0.854,448 -0.076,449 2.203,450 0.112,451 -0.881,452 -1.161,454 -2,455 -0.777,456 0.617,457 -0.52,458 2,459 0.08,460 -1,461 -1.235,463 -2.503,464 -0.859,465 11.333,466 0.472,467 0.873,468 0.036,469 35.25,470 1.469,471 19.5,472 0.813,473 15.75,474 0.656,475 15.571,476 0.649,477 25.867,478 0.663,479 25.902,480 1.079,481 6.86,482 0.286,483 4.438,484 0.185,485 0.176,486 0.074,487 0.3,493 0.568,494 1.388,495 0.783,496 1.262,497 0.654,498 0.917,499 0.495,500 1.126,501 1.006,502 1.163,503 0.464,504 0.937,505 1.487,506 0.894,507 1.017,508 0.709,509 1.429,510 0.941,511 0.601,512 1.146,513 0.893,514 1.056,515 0.448,516 1.016,517 1.061,518 1.038,519 0.992,520 0.937,521 0.956,522 1.029,523 0.852,524 0.962,525 0.896,526 0.951,527 0.719,528 1.003,529 1.063,530 1.118,531 1.117,532 1.176,533 1.023,534 1.123,535 1.043,536 0.999,537 1.028,538 1.012,539 1.174,540 1.052,541 7.5,542 0.163,543 2,544 1.979,545 1.156,546 0.955,547 0.638,548 0.35,549 0.258,550 0.188,551 6175,552 22491,553 2.005,554 38.5,556 9,557 1,559 2,560 3,564 1.667,565 1.834,566 3.321,567 0.42,568 1,569 1,571 1,573 72.559,574 1.86,575 3.832,576 4.541,577 4.939,578 4.99,579 4.99,580 2.757,581 4.137,582 4.553,583 3.498,584 965.476,585 7.851,586 11383.2,587 1,588 1,590 1,591 206.131,592 1.697,593 4.483,594 0.288,595 0.013,596 0.053,597 0.06,598 0.035,599 0.032,600 0.024,601 0.015,602 0.014,603 0.012,604 0.545,605 0.33,606 1,607 1.26,608 114.537,609 0.064,610 -0.161,611 0.211,612 -0.115,613 -0.156,614 0.006,615 0.347,616 0.001,617 -0.042,618 -0.124,619 0.301,620 -0.016,621 -0.413,622 0.118,623 -0.239,624 0.132,625 -0.343,626 -0.058,627 0.081,628 -0.134,629 0.025,630 -0.069,631 0.13,632 -0.011,633 -0.174,634 -0.03,635 -0.126,636 -0.025,637 -0.126,638 -0.085,639 -0.063,640 -0.007,641 0.015,642 -0.006,643 0.005,644 0.007,645 -0.125,646 -0.156,647 -0.096,648 -0.157,649 -0.069,650 -0.125,651 0.001,652 -0.081,653 0.003,654 -0.045,655 -0.118,656 -0.057,657 4.253,658 4.346,659 0.625,660 21.958,661 1.025,662 1.131,663 1.956,664 3.826,665 0.688,666 3.296,667 3.664,668 3.807,669 4.127,670 4.317,671 4.443,672 4.615,673 4.71,674 4.736,675 4.82,676 6.11,677 0.669,678 345.42,679 3.296,680 4.86,681 5.68,682 6.581,683 7.424,684 8.325,685 9.181,686 10.081,687 10.945,688 11.844,689 12.8,694 1,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 39,733 19,734 1,735 26,737 41,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 15,782 7,783 2,784 9,785 1,790 5,794 0.667,795 3,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 2,848 24,852 1,855 2,867 1,870 7.7,873 3,877 13.083,878 7.6,879 5.014,880 2.029,881 3.413,882 1.477,883 1.001,884 4.263,885 10.572,886 3.638,887 4.327,888 4.784,889 5.468,890 6.017,891 6.419,892 6.941,893 7.389,894 7.663,895 8.076,896 0.857,897 33,898 8.969,900 3.983,901 8.122,902 16.317,904 13.231,905 2.622,906 62.917,910 153.024,911 105.175,912 69.028,914 69.458,916 5.807,917 99.367,918 222.482,919 69.028,920 16.016,921 18.011,922 71.712,923 125.731,924 10.292,925 13.67,926 141.253,928 153.024,929 168.396,930 69.458,931 5.807,933 153.024,934 69.458,937 31.614,938 86.928,939 55.661,941 153.024,942 138.486,943 105.175,945 5.807,946 153.024,947 17.447,948 83.084,949 34.416,950 102.906,951 153.024,952 138.486,953 105.175,955 0.594,956 0.294,957 0.166,958 0.092,959 19,960 9,961 0.098,962 4,963 1,964 1.133,965 3.564,966 192.086,967 0.133,968 15,969 108.039,973 1,974 16.43,975 6.227,976 4.116,977 0.591,978 137.322,979 12.4,980 8.365,984 2.362,986 34.416,987 396.685,988 37,991 -3.337,993 33.766,997 -0.245,999 39.985,1000 44.116,1001 0.352,1002 0.725,1003 0.859,1004 0.934,1005 0.944,1006 0.944,1007 4.883,1008 1.396,1009 5.727,1010 4.383,1011 4.344,1012 5.014,1013 1.953,1014 6.553,1015 4.264,1016 6.159,1017 1.1,1018 7.296,1019 3.765,1020 4.205,1021 5.19,1022 1.593,1023 7.636,1024 4.053,1025 7.523,1026 0.411,1027 8.964,1028 2.54,1029 6.014,1030 7.378,1031 2.904,1032 10.573,1033 5.836,1034 8.92,1035 -0.101,1036 10.687,1037 1.083,1038 6.581,1039 8.283,1040 3.032,1041 12.381,1042 6.321,1043 10.344,1044 -0.23,1045 12.443,1046 -0.29,1047 7.965,1048 10.044,1049 4.037,1050 14.9,1051 7.675,1052 11.788,1053 -0.548,1054 14.222,1055 -0.634,1056 8.838,1057 11.265,1058 4.409,1059 16.995,1060 8.468,1061 13.246,1062 -0.881,1063 16.016,1064 -1.556,1065 10.061,1066 12.864,1067 5.25,1068 19.371,1069 9.653,1070 3.148,1071 -1,1072 17.822,1073 -2,1074 11.071,1075 14.228,1076 5.75,1077 21.583,1078 10.589,1079 3.055,1080 10.215,1081 19.637,1082 -2.503,1083 12.231,1084 15.76,1085 6.501,1086 23.907,1087 11.703,1088 2.769,1089 9.788,1090 21.458,1091 4.458,1092 13.304,1093 17.19,1094 7.068,1095 26.17,1096 12.708,1097 2.351,1098 8.871,1099 23.285,1100 4.437,1101 14.44,1102 18.695,1103 7.771,1104 28.477,1105 13.793,1106 2.172,1107 6.741,1108 25.116,1109 3.798,1110 15.542,1111 20.155,1112 8.374,1113 30.76,1114 14.831,1115 1.737,1116 6.404,1117 26.951,1118 3.123,1119 16.67,1120 21.65,1121 9.051,1122 33.063,1123 15.905,1124 1.524,1125 4.436,1126 28.789,1127 2.832,1128 17.786,1129 23.125,1130 9.674,1131 35.357,1132 16.96,1133 6149,1134 11866,1135 16.701,1136 26.847,1137 39.837,1138 41.381,1139 39.961,1140 39.393,1141 39.325,1142 55.127,1143 4.112,1144 116.448,1145 37.828,1146 5.399,1147 6.311,1148 6.007,1149 5.136,1150 5.148,1151 7.458,1152 3.306,1153 16.747,1154 4.977,1155 14.264,1156 1.532,1157 1.592,1158 1.537,1159 1.515,1160 1.512,1161 2.12,1162 0.158,1163 4.479,1164 1.455,1165 4.125,1166 4.173,1167 4.716,1168 4.014,1169 7.718,1170 4.003,1171 3.984,1172 3.979,1173 4.087,1174 3.895,1175 7.43,1176 3.821,1177 3.781,1178 3.777,1179 3.788,1180 3.699,1181 6.999,1182 3.654,1183 3.569,1184 3.614,1185 3.488,1186 3.346,1187 5.152,1188 3.371,1189 3.253,1190 3.31,1191 3.181,1192 3.081,1193 4.744,1194 3.099,1195 2.93,1196 3.003,1197 2.822,1198 2.79,1199 4.309,1200 2.789,1201 2.896,1202 2.978,1203 2.751,1204 2.745,1205 3.909,1206 2.734,1207 2.763,1208 2.865,1209 2.608,1210 2.543,1211 3.89,1212 2.547,1213 0.179,1214 0.166,1215 0.248,1216 0.157,1217 0.121,1218 4.646,1219 0.171,1220 4.311,1221 0.073,1222 6.461,1223 0.393,1224 4.089,1225 0.114,1226 3.148,1227 4.458,1228 1.907,1229 10.215,1230 2.977,1231 1.992,1232 1.969,1233 2.067,1234 2.1,1235 1.196,1236 2.097,1237 1.792,1238 1.784,1239 1.858,1240 1.942,1241 0.999,1242 1.964,1243 1.633,1244 1.642,1245 1.734,1246 1.805,1247 0.883,1248 1.808,1249 1.52,1250 1.464,1251 1.605,1252 1.758,1253 0.732,1254 1.775,1255 1.181,1256 1.11,1257 1.339,1258 1.457,1259 0.318,1260 1.437,1261 0.968,1262 0.914,1263 1.175,1264 1.174,1265 0.24,1266 1.19,1267 0.902,1268 0.829,1269 1.129,1270 1.127,1271 0.204,1272 1.135,1273 0.785,1274 0.7,1275 1.06,1276 1.042,1277 0.079,1278 1.067,1279 3.97,1281 5.323,1282 2.398,1283 6.834,1284 4.727,1285 8.421,1286 6.823,1287 10.051,1289 2.488,1296 4.974,1305 26.073,1306 72.559,1307 149.46,1308 177.111,1309 192.621,1310 194.621,1311 194.621,1312 44.524,1313 7.159,1314 105.46,1315 113.84,1316 17,1317 12.374,1318 4.322,1319 3.585,1320 39.364,1321 87,1322 84,1323 0.225,1324 166.147,1325 277.04,1326 397.159,1327 11420,1329 17.32,1330 0.722,1331 0.576,1332 17.57,1333 13.833,1334 11.299,1335 0.435,1336 0.343,1337 7.064,1338 10.024,1339 6.677,1340 5.581,1341 12.225,1342 8.915,1343 11.618,1344 0.306,1345 0.185,1346 13,1347 7.041,1348 7.648,1349 0.174,1350 0.085,1351 8.099,1352 3.724,1353 7.014,1354 0.115,1355 0.046,1356 7.54,1357 2.796,1358 5.375,1359 0.073,1360 0.024,1361 5.743,1362 1.769,1363 0.352,1364 80.818,1365 0.245,1366 23.448,1367 0.616,1368 128,1369 445.668,1370 175.239,1371 450.513,1372 602.45,1373 412,1374 146,1375 423.3,1376 199.401,1377 457.655,1378 653.12,1379 425,1380 5.3}
{0 CHEMBL2064485,1 1.86,2 10.042,3 1.271,4 1.614,5 89.651,6 8.857,7 0.615,8 3.797,9 3.899,10 3.669,11 3.348,12 4.966,13 3.331,14 4.302,15 4.449,16 3.96,17 3.704,18 5.759,19 3.682,20 4.467,21 4.622,22 3.914,23 3.805,24 5.782,25 3.761,26 4.514,27 4.689,28 3.831,29 3.749,30 5.851,31 3.704,32 4.398,33 4.592,34 3.736,35 3.669,36 5.607,37 3.612,38 4.381,39 4.59,40 3.657,41 3.619,42 5.567,43 3.542,44 4.288,45 4.481,46 3.559,47 3.453,48 5.575,49 3.39,50 4.132,51 4.361,52 3.359,53 3.236,54 5.381,55 3.159,56 0.15,57 0.659,58 8.495,59 3.494,60 15.851,61 3.664,62 0.481,63 0.992,64 14.055,65 5.705,66 51.279,67 6.495,68 0.466,69 1.098,70 21.342,71 7.336,72 53.625,73 7.533,74 0.604,75 1.069,76 19.128,77 6.821,78 81.189,79 7.624,80 0.419,81 0.997,82 16.94,83 6.071,84 35.02,85 7.258,86 0.38,87 0.948,88 19.316,89 6.541,90 33.216,91 7.995,92 0.493,93 0.829,94 16.691,95 5.483,96 49.389,97 6.429,98 0.42,99 0.695,100 14.808,101 4.583,102 49.391,103 5.907,104 34,105 38,106 0.326,107 0.672,108 0.797,109 0.866,110 0.875,111 0.875,112 3.229,113 0.987,114 -3.19,115 -3.18,116 -3.05,119 38.5,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 3,175 4,178 5,180 1,183 8,187 9,190 1,192 2,195 6,198 2,199 11,204 3,207 4,211 1,212 9,217 4,220 2,224 7,229 2,232 2,236 2,237 6,240 1,242 3,245 2,249 2,250 2,253 1,255 1,258 1,262 2,263 2,266 1,268 1,271 2,275 788,276 15.72,277 15.72,278 15.72,279 15.72,280 15.72,281 13.48,282 9.715,283 8.967,284 16.051,285 12.759,286 12.759,287 12.759,288 12.759,289 12.759,290 9.178,291 11.073,292 4.188,293 13.348,294 3.425,295 1.453,296 0.744,297 0.346,298 0.295,299 0.295,300 3.904,304 1,305 1,306 505,307 3.742,310 54.159,311 138.17,314 95.524,318 1.632,319 32.57,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 241,332 4.847,333 4.683,334 7.29,335 4.297,336 3.377,337 4.703,338 1.907,339 12.364,340 3.084,341 4.511,342 3.536,343 6.337,344 4,345 3.052,346 4.449,347 0.149,348 9.781,349 2.903,350 4.104,351 3.049,352 6.05,353 3.696,354 2.722,355 3.691,357 8.802,358 2.63,359 3.663,360 2.722,361 5.259,362 3.291,363 2.314,364 2.992,366 6.626,367 2.255,368 3.388,369 2.143,370 4.907,371 2.897,372 1.901,373 2.709,375 5.345,376 1.887,377 3.147,378 1.867,379 4.456,380 2.668,381 1.694,382 2.367,384 4.386,385 1.635,386 3.01,387 1.525,388 4.378,389 2.474,390 1.516,391 2.241,393 4.331,394 1.448,395 2.739,396 1.412,397 4.217,398 2.24,399 1.256,400 1.833,402 3.53,403 1.231,404 2.58,405 1.111,406 3.492,407 2.083,408 1.087,409 1.616,411 2.498,412 1.081,413 1.903,414 0.703,415 3.167,416 1.375,417 0.411,418 0.611,420 1.081,421 0.395,422 1.538,423 0.589,424 3.099,425 1.303,426 0.375,427 0.414,428 0.498,429 0.346,430 1.107,431 0.41,432 2.658,433 0.726,434 -0.229,435 -0.277,436 -0.631,437 -0.217,438 1,439 0.041,440 2.565,441 0.447,442 -0.526,443 -0.709,445 -1.391,446 -0.507,447 0.888,448 -0.019,449 2.505,450 0.201,451 -0.757,452 -1.059,454 -2,455 -0.705,456 0.708,457 -0.52,458 2.202,459 0.108,460 -0.887,461 -1.241,463 -2.112,464 -0.865,465 11.333,466 0.472,467 0.786,468 0.033,469 34.75,470 1.448,471 19,472 0.792,473 15.75,474 0.656,475 15.57,476 0.649,477 25.867,478 0.663,479 26.366,480 1.099,481 6.858,482 0.286,483 4.528,484 0.189,485 0.176,486 0.074,487 0.3,493 0.568,494 1.388,495 0.783,496 1.262,497 0.648,498 0.917,499 0.523,500 0.926,501 0.771,502 0.877,503 0.514,504 0.819,505 1.205,506 1.11,507 1.333,508 1.196,509 1.104,510 1.009,511 1.269,512 1.047,513 1.011,514 0.91,515 1.297,516 1.028,517 0.923,518 1.051,519 0.946,520 0.948,521 0.783,522 1.019,523 0.851,524 1.096,525 0.99,526 1.095,527 0.694,528 1.049,529 1.119,530 1.042,531 1.039,532 1.036,533 1.234,534 1.103,535 0.882,536 0.97,537 0.834,538 0.903,539 0.91,540 0.996,541 7,542 0.107,543 3.111,544 1.854,545 1.093,546 1.15,547 0.517,548 0.357,549 0.277,550 0.195,551 6007,552 21511,553 2.005,554 38.5,556 9,557 1,559 2,560 3,564 1.668,565 1.834,566 3.312,567 0.42,568 1,569 1,571 1,573 72.559,574 1.86,575 3.832,576 4.541,577 4.939,578 4.99,579 4.99,580 2.792,581 4.252,582 4.554,583 3.459,584 954.711,585 7.856,586 11107.7,587 1,588 1,591 206.131,592 1.697,593 4.483,594 0.269,595 0.01,596 0.082,597 0.05,598 0.033,599 0.038,600 0.019,601 0.016,602 0.015,603 0.012,604 0.545,605 0.33,606 1,607 1.26,608 113.956,609 0.064,610 -0.161,611 0.211,612 -0.115,613 -0.15,614 0.006,615 0.328,616 0.196,617 0.121,618 0.103,619 0.247,620 0.088,621 -0.246,622 -0.044,623 -0.254,624 -0.086,625 -0.117,626 -0.052,627 -0.204,628 -0.076,629 -0.152,631 -0.17,632 -0.096,633 -0.116,634 -0.036,635 -0.081,636 -0.031,637 -0.072,638 -0.063,639 -0.07,640 -0.135,641 -0.014,642 -0.095,643 0.033,644 -0.025,645 -0.068,646 -0.092,647 -0.091,648 -0.094,649 -0.15,650 -0.142,651 0.07,652 -0.055,653 0.113,654 -0.001,655 -0.003,656 -0.002,657 4.429,658 4.924,659 0.625,660 20.708,661 1.025,662 1.131,663 1.956,664 3.826,665 0.688,666 3.296,667 3.664,668 3.892,669 4.127,670 4.344,671 4.466,672 4.635,673 4.71,674 4.771,675 4.868,676 5.944,677 0.669,678 345.42,679 3.296,680 4.86,681 5.707,682 6.603,683 7.473,684 8.37,685 9.249,686 10.146,687 11.03,688 11.927,689 12.8,691 1,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 39,733 19,734 1,735 26,737 41,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 15,782 7,783 2,784 9,785 1,790 5,794 0.667,795 3,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 2,848 24,852 1,855 2,867 1,870 7.7,873 3,877 13.083,878 7.6,879 5.181,880 2.091,881 3.413,882 1.477,883 1.001,884 4.263,885 10.572,886 3.638,887 4.327,888 4.88,889 5.493,890 6.06,891 6.469,892 6.992,893 7.407,894 7.738,895 8.177,896 0.857,897 37,898 9.019,900 4.056,901 8.122,902 16.317,904 13.258,905 2.622,906 62.917,910 153.024,911 105.175,912 69.028,914 69.458,916 5.807,917 99.367,918 222.482,919 69.028,920 17.222,921 18.011,922 88.117,923 109.326,924 9.086,925 13.67,926 141.253,928 153.024,929 168.396,930 69.458,931 5.807,933 153.024,934 69.458,937 48.019,938 86.928,939 39.256,941 153.024,942 138.486,943 105.175,945 5.807,946 153.024,947 16.241,948 84.29,949 34.416,950 102.906,951 153.024,952 138.486,953 105.175,955 0.594,956 0.334,957 0.167,958 0.09,959 19,960 9,961 0.098,962 4,963 1,964 1.133,965 3.519,966 194.795,967 0.133,968 15,969 108.039,973 1,974 16.43,975 6.227,976 3.425,977 0.571,978 137.322,979 11.866,980 8.341,984 1.894,986 34.416,987 396.685,988 37,991 -3.513,993 34.923,997 -0.254,999 39.985,1000 44.116,1001 0.352,1002 0.725,1003 0.859,1004 0.934,1005 0.944,1006 0.944,1007 4.883,1008 1.256,1009 5.753,1010 4.331,1011 4.344,1012 5.014,1013 1.953,1014 6.619,1015 4.253,1016 6.159,1017 1.087,1018 7.359,1019 3.53,1020 4.205,1021 5.19,1022 1.593,1023 7.854,1024 4.032,1025 7.532,1026 0.411,1027 9.076,1028 2.498,1029 6.052,1030 7.408,1031 2.904,1032 10.851,1033 5.834,1034 8.945,1035 0.375,1036 10.861,1037 1.081,1038 6.686,1039 8.363,1040 3.032,1041 12.887,1042 6.362,1043 10.392,1044 -0.229,1045 12.69,1046 0.498,1047 8.09,1048 10.138,1049 4.037,1050 15.501,1051 7.719,1052 11.862,1053 -0.526,1054 14.551,1055 -0.631,1056 9.046,1057 11.421,1058 4.409,1059 17.828,1060 8.564,1061 13.35,1062 -0.757,1063 16.435,1064 -1.391,1065 10.3,1066 13.038,1067 5.25,1068 20.345,1069 9.757,1070 3.377,1071 -0.887,1072 18.338,1073 -2,1074 11.39,1075 14.46,1076 5.75,1077 22.78,1078 10.742,1079 3.052,1080 12.364,1081 20.256,1082 -2.112,1083 12.595,1084 16.02,1085 6.501,1086 25.278,1087 11.874,1088 2.722,1089 9.781,1090 22.184,1091 4.703,1092 13.743,1093 17.501,1094 7.068,1095 27.755,1096 12.92,1097 2.314,1098 8.802,1099 24.122,1100 4.449,1101 14.935,1102 19.04,1103 7.771,1104 30.254,1105 14.03,1106 1.901,1107 6.626,1108 26.067,1109 3.691,1110 16.109,1111 20.548,1112 8.374,1113 32.749,1114 15.106,1115 1.694,1116 5.345,1117 28.019,1118 2.992,1119 17.3,1120 22.081,1121 9.051,1122 35.253,1123 16.21,1124 1.516,1125 4.386,1126 29.976,1127 2.709,1128 18.487,1129 23.601,1130 9.674,1131 37.757,1132 17.301,1133 5997,1134 11480,1135 16.701,1136 26.847,1137 39.549,1138 40.823,1139 40.996,1140 39.408,1141 39.409,1142 55.25,1143 4.112,1144 118.484,1145 37.795,1146 5.583,1147 6.683,1148 6.832,1149 5.349,1150 5.377,1151 7.703,1152 3.306,1153 19.566,1154 5.084,1155 14.087,1156 1.521,1157 1.57,1158 1.577,1159 1.516,1160 1.516,1161 2.125,1162 0.158,1163 4.557,1164 1.454,1165 4.141,1166 4.178,1167 4.734,1168 4.086,1169 7.717,1170 4.035,1171 4.013,1172 4.009,1173 4.079,1174 3.882,1175 7.43,1176 3.864,1177 3.669,1178 3.688,1179 3.706,1180 3.552,1181 6.999,1182 3.51,1183 3.552,1184 3.594,1185 3.477,1186 3.336,1187 5.151,1188 3.355,1189 3.244,1190 3.307,1191 3.161,1192 3.068,1193 4.699,1194 3.084,1195 3.106,1196 3.173,1197 2.909,1198 2.874,1199 4.295,1200 2.844,1201 2.921,1202 2.987,1203 2.81,1204 2.786,1205 4.133,1206 2.782,1207 2.769,1208 2.867,1209 2.617,1210 2.574,1211 3.902,1212 2.569,1213 0.186,1214 0.18,1215 0.28,1216 0.165,1217 0.13,1218 4.847,1219 0.181,1220 4.683,1221 0.073,1222 7.29,1223 0.476,1224 4.297,1225 0.119,1226 3.377,1227 4.703,1228 1.907,1229 12.364,1230 3.084,1231 2.015,1232 2.009,1233 2.062,1234 2.104,1235 1.232,1236 2.112,1237 1.812,1238 1.797,1239 1.852,1240 1.949,1241 1.004,1242 1.964,1243 1.522,1244 1.49,1245 1.734,1246 1.805,1247 0.734,1248 1.775,1249 1.494,1250 1.462,1251 1.654,1252 1.7,1253 0.73,1254 1.724,1255 1.18,1256 1.109,1257 1.339,1258 1.457,1259 0.426,1260 1.437,1261 1.074,1262 1.002,1263 1.148,1264 1.304,1265 0.305,1266 1.357,1267 0.953,1268 0.899,1269 1.105,1270 1.138,1271 0.205,1272 1.136,1273 0.786,1274 0.701,1275 1.059,1276 1.042,1277 0.079,1278 1.067,1279 3.97,1281 5.323,1282 2.398,1283 6.86,1284 4.727,1285 8.476,1286 6.823,1287 10.134,1289 2.748,1296 4.812,1305 26.073,1306 72.559,1307 149.46,1308 177.111,1309 192.621,1310 194.621,1311 194.621,1312 46.479,1313 7.159,1314 105.46,1315 113.84,1316 17,1317 12.454,1318 4.322,1319 3.585,1320 39.34,1321 85,1322 84,1323 0.232,1324 166.147,1325 277.04,1326 397.159,1327 11224,1329 17.32,1330 0.722,1331 0.576,1332 17.57,1333 13.833,1334 11.386,1335 0.438,1336 0.329,1337 7.065,1338 10.005,1339 6.735,1340 5.628,1341 12.207,1342 8.552,1343 11.026,1344 0.29,1345 0.183,1346 12.401,1347 6.959,1348 8.655,1349 0.18,1350 0.1,1351 9.794,1352 4.777,1353 6.856,1354 0.112,1355 0.049,1356 7.482,1357 3,1358 5.423,1359 0.071,1360 0.026,1361 5.966,1362 1.995,1363 0.361,1364 80.436,1365 0.245,1366 23.312,1367 0.641,1368 128,1369 445.668,1370 181.254,1371 449.086,1372 605.69,1373 412,1374 150,1375 423.483,1376 207.738,1377 460.937,1378 668.54,1379 431,1380 5}
{0 CHEMBL2064486,1 1.663,2 9.957,3 1.373,4 1.885,5 86.074,6 8.141,7 0.64,8 3.758,9 3.882,10 3.395,11 3.271,12 4.979,13 3.283,14 4.233,15 4.403,16 3.753,17 3.624,18 5.497,19 3.621,20 4.399,21 4.577,22 3.736,23 3.71,24 5.642,25 3.69,26 4.408,27 4.598,28 3.674,29 3.668,30 5.671,31 3.633,32 4.345,33 4.555,34 3.574,35 3.6,36 5.494,37 3.555,38 4.327,39 4.553,40 3.468,41 3.546,42 5.443,43 3.481,44 4.207,45 4.418,46 3.342,47 3.375,48 5.421,49 3.32,50 4.061,51 4.308,52 3.098,53 3.155,54 5.199,55 3.08,56 0.089,57 0.613,58 6.493,59 2.927,60 6.351,61 3.644,62 0.303,63 0.926,64 12.349,65 4.795,66 21.659,67 6.308,68 0.328,69 1.009,70 15.651,71 5.63,72 41.683,73 7.085,74 0.388,75 0.991,76 16.304,77 5.667,78 51.294,79 7.4,80 0.307,81 0.943,82 15.452,83 5.204,84 27.331,85 7.096,86 0.25,87 0.886,88 15.962,89 5.608,90 25.896,91 7.762,92 0.325,93 0.764,94 14.124,95 4.741,96 36.07,97 6.273,98 0.287,99 0.643,100 13.121,101 4.081,102 34.184,103 5.802,104 25,105 35,106 0.295,107 0.653,108 0.791,109 0.863,110 0.886,111 0.886,112 3.188,113 0.844,114 -3.85,115 -3.81,116 -3.62,119 42.1,120 1,124 1,142 6,143 3,150 1,151 1,158 2,161 1,166 1,172 9,174 2,175 5,178 4,180 2,183 10,187 7,190 1,192 2,195 8,198 2,199 9,204 3,207 5,211 1,212 8,217 4,220 3,224 7,229 2,232 2,236 1,237 6,240 1,242 3,245 2,249 1,250 2,253 1,255 2,258 1,262 1,263 2,266 1,268 1,271 2,275 710,276 15.403,277 15.403,278 15.403,279 15.403,280 15.403,281 13.334,282 11.197,283 9.018,284 15.639,285 12.297,286 12.297,287 12.297,288 12.297,289 12.297,290 9.014,291 12.951,292 4.23,293 12.627,294 3.585,295 1.564,296 0.784,297 0.375,298 0.25,299 0.25,300 3.867,303 1,304 1,305 1,306 482,307 3.317,310 51.093,311 130.85,314 90.444,318 1.614,319 22.741,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.5,331 229,332 4.518,333 3.553,334 6.351,335 4.031,336 3.07,337 4.454,338 1.907,339 9.821,340 2.983,341 4.256,342 3.536,343 6.144,344 3.85,345 2.871,346 3.887,347 1.058,348 9.093,349 2.785,350 3.918,351 3.05,352 5.894,353 3.572,354 2.581,355 3.334,356 0.149,357 8.148,358 2.542,359 3.638,360 2.738,361 5.255,362 3.277,363 2.297,364 2.905,366 6.602,367 2.245,368 3.261,369 2.172,370 4.535,371 2.789,372 1.798,373 2.501,375 4.624,376 1.77,377 3.093,378 1.946,379 4.397,380 2.613,381 1.632,382 2.332,384 4.384,385 1.588,386 2.998,387 1.524,388 4.33,389 2.47,390 1.51,391 2.198,393 4.092,394 1.444,395 2.657,396 1.346,397 3.968,398 2.183,399 1.196,400 1.699,402 3.096,403 1.176,404 2.559,405 1.105,406 3.467,407 2.074,408 1.079,409 1.562,411 2.453,412 1.072,413 1.903,414 1.083,415 3.162,416 1.375,417 0.411,418 0.611,420 1.081,421 0.395,422 1.471,423 0.589,424 2.658,425 1.177,426 0.188,427 0.223,428 0.249,429 0.183,430 1.107,431 0.41,432 2.515,433 0.726,434 -0.23,435 -0.277,436 -0.631,437 -0.217,438 0.889,439 -0.019,440 2.47,441 0.451,442 -0.529,443 -0.714,445 -1.389,446 -0.514,447 0.718,448 -0.363,449 2.202,450 0.246,451 -0.772,452 -1.1,454 -2,455 -0.779,456 0.61,457 -0.529,458 1.789,459 0.109,460 -0.887,461 -1.243,463 -2.053,464 -0.869,465 10.667,466 0.464,467 0.609,468 0.026,469 32.75,470 1.424,471 17.5,472 0.761,473 15.25,474 0.663,475 14.407,476 0.626,477 24.133,478 0.635,479 23.909,480 1.04,481 6.759,482 0.294,483 4.304,484 0.187,485 0.156,487 0.366,493 0.703,494 1.309,495 0.705,496 1.04,497 0.574,498 0.893,499 0.543,500 0.944,501 0.695,502 0.89,503 0.513,504 0.832,505 1.198,506 1.049,507 1.016,508 0.965,509 1.183,510 0.956,511 1.08,512 1.119,513 1.057,514 1.035,515 1.095,516 1.046,517 0.918,518 1.067,519 1.034,520 1.02,521 0.767,522 1.028,523 0.833,524 1.072,525 0.952,526 1.073,527 0.656,528 1.036,529 1.124,530 1.064,531 1.117,532 1.108,533 1.245,534 1.119,535 0.9,536 0.989,537 1.004,538 1.014,539 0.892,540 1.026,541 5.5,542 0.09,543 2.444,544 1.604,545 0.956,546 0.976,547 0.435,548 0.303,549 0.214,550 0.151,551 5464,552 17439,553 2.041,554 39.5,556 9,557 1,559 2,560 3,564 1.656,565 1.89,566 3.315,567 0.364,568 1,569 1,571 1,573 63.208,574 1.663,575 3.684,576 4.464,577 4.873,578 4.998,579 4.998,580 2.794,581 4.263,582 4.491,583 3.442,584 870.798,585 7.729,586 9854.81,587 1,588 1,591 199.421,592 1.478,593 4.443,594 0.22,595 0.009,596 0.07,597 0.047,598 0.031,599 0.035,600 0.017,601 0.014,602 0.013,603 0.011,604 0.468,605 0.5,606 1,607 1.248,608 107.78,609 -0.03,610 -0.124,611 0.038,612 -0.047,613 -0.079,614 -0.002,615 0.249,616 0.174,617 0.154,618 0.077,619 0.113,620 0.084,621 -0.204,622 -0.014,623 -0.113,624 0.014,625 -0.155,626 -0.023,627 -0.079,628 -0.11,629 -0.127,630 -0.061,631 -0.066,632 -0.101,633 -0.09,634 -0.039,635 -0.106,636 -0.058,637 -0.069,638 -0.072,639 -0.058,640 -0.117,641 0.012,642 -0.073,643 0.048,644 -0.02,645 -0.071,646 -0.108,647 -0.134,648 -0.137,649 -0.132,650 -0.151,651 0.039,652 -0.068,653 0.033,654 -0.052,655 -0.001,656 -0.02,657 1.889,658 4.737,659 0.652,660 20.276,661 1.015,662 1.131,663 2.622,664 6.874,665 0.677,666 3.258,667 3.584,668 3.829,669 4.094,670 4.304,671 4.419,672 4.585,673 4.663,674 4.71,675 4.787,676 5.85,677 0.662,678 309.36,679 3.258,680 4.796,681 5.638,682 6.518,683 7.382,684 8.267,685 9.141,686 10.029,687 10.908,688 11.797,689 13.2,696 2,697 1,699 2,703 1,704 7,705 2,709 4,711 16,718 1,731 38,733 18,734 1,735 25,737 40,738 16,739 12,740 2,741 4,742 1,746 3,747 4,752 1,761 14,762 2,766 2,771 2,775 2,777 1,778 1,781 15,782 6,783 2,784 7,790 5,794 0.667,795 2,805 1,811 1,812 2,815 1,826 1,840 2,844 2,848 23,855 2,867 1,870 5.3,873 2,877 12.167,878 7.517,879 5.083,880 2.119,881 3.334,882 1.471,883 0.992,884 4.086,885 10.409,886 3.584,887 4.216,888 4.817,889 5.456,890 6.017,891 6.415,892 6.935,893 7.36,894 7.666,895 8.079,896 0.857,897 34,898 8.434,900 3.543,901 7.964,902 15.669,904 12.382,905 2.464,906 56.667,910 153.024,911 105.707,912 70.634,914 50.29,917 105.707,918 203.314,919 70.634,920 17.222,921 36.022,922 65.905,923 94.863,924 10.721,925 13.67,926 141.253,928 153.024,929 176.341,930 50.29,933 153.024,934 50.29,937 49.625,938 93.267,939 33.449,941 153.024,942 120.924,943 105.707,946 153.024,947 22.58,948 84.29,949 36.022,950 83.738,951 153.024,952 120.924,953 105.707,955 0.58,956 0.329,957 0.175,958 0.095,959 17,960 8,961 0.075,962 3,963 1,964 1.133,965 3.501,966 181.319,967 0.133,968 15,969 104.042,974 15.192,975 6.186,976 3.223,977 0.625,978 119.76,979 12.811,980 8.41,984 2.628,986 36.022,987 379.655,988 35,993 22.806,997 -0.36,999 38.582,1000 42.986,1001 0.317,1002 0.702,1003 0.851,1004 0.928,1005 0.952,1006 0.952,1007 4.804,1008 1.196,1009 5.631,1010 4.092,1011 4.263,1012 4.902,1013 2.229,1014 6.431,1015 4.212,1016 6.033,1017 1.079,1018 7.185,1019 3.096,1020 3.892,1021 4.783,1022 1.593,1023 7.286,1024 3.83,1025 7.35,1026 0.411,1027 8.832,1028 2.453,1029 5.849,1030 7.155,1031 3.033,1032 10.354,1033 5.743,1034 8.701,1035 0.188,1036 10.533,1037 1.081,1038 6.256,1039 7.841,1040 3.032,1041 12,1042 6.133,1043 10.081,1044 -0.23,1045 12.267,1046 0.249,1047 7.708,1048 9.707,1049 4.086,1050 14.568,1051 7.547,1052 11.482,1053 -0.529,1054 14.024,1055 -0.631,1056 8.474,1057 10.787,1058 4.409,1059 16.551,1060 8.29,1061 12.899,1062 -0.772,1063 15.797,1064 -1.389,1065 9.716,1066 12.435,1067 5.267,1068 18.929,1069 9.5,1070 3.07,1071 -0.887,1072 17.583,1073 -2,1074 10.655,1075 13.715,1076 5.75,1077 21.061,1078 10.41,1079 2.871,1080 9.821,1081 19.377,1082 -2.053,1083 11.808,1084 15.265,1085 6.507,1086 23.364,1087 11.534,1088 2.581,1089 9.093,1090 21.178,1091 4.454,1092 12.829,1093 16.646,1094 7.068,1095 25.564,1096 12.525,1097 2.297,1098 8.148,1099 22.984,1100 3.887,1101 13.947,1102 18.155,1103 7.773,1104 27.839,1105 13.613,1106 1.798,1107 6.602,1108 24.795,1109 3.334,1110 15.008,1111 19.586,1112 8.374,1113 30.071,1114 14.644,1115 1.632,1116 4.624,1117 26.609,1118 2.905,1119 16.112,1120 21.078,1121 9.051,1122 32.337,1123 15.719,1124 1.51,1125 4.384,1126 28.426,1127 2.501,1128 17.193,1129 22.535,1130 9.674,1131 34.586,1132 16.77,1133 5435,1134 9819,1135 16.414,1136 25.745,1137 37.743,1138 39.306,1139 39.006,1140 37.261,1141 37.263,1142 51.409,1143 6.229,1144 107.286,1145 36.366,1146 5.254,1147 5.553,1148 5.903,1149 5.078,1150 5.07,1151 7.454,1152 3.306,1153 16.359,1154 4.983,1155 12.435,1156 1.51,1157 1.572,1158 1.56,1159 1.49,1160 1.491,1161 2.056,1162 0.249,1163 4.291,1164 1.455,1165 4.119,1166 4.171,1167 4.093,1168 3.986,1169 7.432,1170 4,1171 3.891,1172 3.924,1173 3.847,1174 3.762,1175 7.428,1176 3.782,1177 3.584,1178 3.632,1179 3.506,1180 3.358,1181 5.152,1182 3.387,1183 3.461,1184 3.533,1185 3.361,1186 3.21,1187 4.711,1188 3.237,1189 3.244,1190 3.306,1191 3.151,1192 3.06,1193 4.301,1194 3.076,1195 2.981,1196 3.037,1197 2.82,1198 2.799,1199 4.173,1200 2.793,1201 2.919,1202 2.985,1203 2.779,1204 2.778,1205 3.902,1206 2.767,1207 2.766,1208 2.866,1209 2.612,1210 2.551,1211 3.852,1212 2.554,1213 0.181,1214 0.142,1215 0.254,1216 0.161,1217 0.123,1218 4.518,1219 0.178,1220 3.553,1221 0.076,1222 6.351,1223 0.393,1224 4.031,1225 0.119,1226 3.07,1227 4.454,1228 1.907,1229 9.821,1230 2.983,1231 1.993,1232 1.968,1233 2.073,1234 2.098,1235 1.194,1236 2.089,1237 1.77,1238 1.734,1239 1.87,1240 1.922,1241 0.948,1242 1.908,1243 1.521,1244 1.465,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.38,1250 1.304,1251 1.675,1252 1.67,1253 0.679,1254 1.675,1255 1.18,1256 1.109,1257 1.34,1258 1.457,1259 0.319,1260 1.437,1261 0.988,1262 0.931,1263 1.196,1264 1.204,1265 0.238,1266 1.198,1267 0.937,1268 0.879,1269 1.132,1270 1.133,1271 0.204,1272 1.135,1273 0.785,1274 0.7,1275 1.06,1276 1.042,1277 0.079,1278 1.067,1279 3.932,1281 5.252,1282 2.398,1283 6.758,1284 4.727,1285 8.348,1286 6.823,1287 9.985,1289 3.001,1296 5.155,1305 25.171,1306 63.208,1307 139.995,1308 169.647,1309 185.157,1310 189.911,1311 189.911,1312 35.052,1313 7.075,1314 88.39,1315 88.39,1316 17,1317 12.329,1318 4.248,1319 3.459,1320 36.907,1321 80,1322 77,1323 0.231,1324 157.685,1325 264.4,1326 376.512,1327 10152,1329 16.397,1330 0.713,1331 0.552,1332 16.397,1333 12.7,1334 11.063,1335 0.443,1336 0.281,1337 6.91,1338 10.555,1339 6.705,1340 5.618,1341 11.063,1342 7.032,1343 10.133,1344 0.29,1345 0.143,1346 10.133,1347 4.997,1348 8.128,1349 0.181,1350 0.073,1351 8.128,1352 3.304,1353 6.747,1354 0.114,1355 0.038,1356 6.747,1357 2.249,1358 5.298,1359 0.073,1360 0.02,1361 5.298,1362 1.461,1363 0.36,1364 69.889,1365 0.247,1366 22.543,1367 0.638,1368 120,1369 395.072,1370 134.614,1371 382.701,1372 520.81,1373 356,1374 140,1375 388.27,1376 154.008,1377 390.978,1378 567.82,1379 367,1380 4.3}
{0 CHEMBL2064487,1 1.84,2 10.087,3 1.691,4 2.859,5 86.351,6 8.93,7 0.64,8 3.741,9 3.834,10 3.624,11 3.339,12 4.909,13 3.307,14 4.249,15 4.382,16 3.897,17 3.685,18 5.702,19 3.661,20 4.434,21 4.587,22 3.829,23 3.759,24 5.759,25 3.718,26 4.408,27 4.583,28 3.709,29 3.691,30 5.717,31 3.629,32 4.358,33 4.587,34 3.5,35 3.534,36 5.496,37 3.461,38 4.152,39 4.383,40 3.436,41 3.423,42 5.225,43 3.335,44 3.982,45 4.132,46 3.441,47 3.309,48 5.32,49 3.255,50 4.005,51 4.195,52 3.272,53 3.164,54 5.288,55 3.083,56 0.126,57 0.604,58 7.613,59 3.63,60 15.196,61 3.591,62 0.378,63 0.937,64 14.676,65 5.999,66 47.291,67 6.475,68 0.505,69 1.034,70 17.527,71 6.571,72 69.647,73 6.57,74 0.418,75 0.997,76 16.877,77 6.626,78 46.615,79 7.657,80 0.452,81 0.914,82 16.951,83 5.785,84 48.361,85 7.288,86 0.276,87 0.765,88 14.264,89 5.234,90 25.393,91 6.646,92 0.231,93 0.66,94 12.066,95 4.515,96 25.595,97 4.749,98 0.38,99 0.624,100 13.173,101 4.364,102 41.243,103 4.863,104 31,105 37,106 0.326,107 0.661,108 0.761,109 0.816,110 0.83,111 0.83,112 3.188,113 1.04,114 -3.93,115 -3.89,116 -3.69,119 40.5,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 3,175 4,178 3,180 1,183 8,187 9,190 1,195 7,198 2,199 11,204 1,207 4,211 1,212 8,217 2,220 2,224 7,229 1,232 1,237 6,242 2,245 2,249 2,250 3,255 2,258 1,262 2,263 2,271 2,275 705,276 14.798,277 14.798,278 14.798,279 14.798,280 14.798,281 12.519,282 9.992,283 8.468,284 15.221,285 12.366,286 12.366,287 12.366,288 12.366,289 12.366,290 8.816,291 12.243,292 4.052,293 13.112,294 3.369,295 1.478,296 0.913,297 0.602,298 0.527,299 0.527,300 3.863,303 1,304 1,305 1,306 488,307 3.606,310 53.611,311 133.89,314 95.285,318 1.758,319 30.796,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51,331 232,332 4.802,333 5.18,334 7.111,335 4.184,336 3.316,337 4.662,338 2.95,339 11.659,340 2.953,341 4.512,342 3.536,343 6.336,344 4.002,345 3.054,346 4.45,347 1.907,348 9.777,349 2.813,350 4.106,351 3.053,352 6.044,353 3.698,354 2.727,355 3.694,356 0.149,357 8.77,358 2.616,359 3.662,360 2.778,361 5.257,362 3.289,363 2.314,364 2.989,366 6.617,367 2.253,368 3.388,369 2.562,370 4.724,371 2.868,372 1.882,373 2.714,375 5.17,376 1.841,377 3.155,378 2.115,379 4.452,380 2.662,381 1.691,382 2.372,384 4.388,385 1.626,386 3.012,387 1.562,388 4.378,389 2.474,390 1.516,391 2.248,393 4.36,394 1.448,395 2.756,396 1.505,397 4.222,398 2.236,399 1.256,400 1.859,402 3.647,403 1.225,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 1.91,414 0.792,415 3.168,416 1.384,417 0.421,418 0.624,420 1.103,421 0.404,422 1.128,423 0.586,424 2.849,425 0.737,426 -0.218,427 -0.266,428 -0.597,429 -0.206,430 1,431 0.402,432 2.567,433 0.558,434 -0.401,435 -0.523,436 -1.039,437 -0.377,438 0.988,439 -0.013,440 2.444,441 0.143,442 -0.822,443 -1.12,445 -2,446 -0.758,447 0.665,448 -0.07,449 2.171,450 0.09,451 -0.948,452 -1.234,454 -2.275,455 -0.798,456 0.545,457 -0.608,458 2,459 0.011,460 -1,461 -1.36,463 -2.762,464 -0.908,465 10.933,466 0.475,467 0.846,468 0.037,469 34,470 1.478,471 19,472 0.826,473 15,474 0.652,475 14.571,476 0.634,477 24.467,478 0.661,479 24.524,480 1.066,481 6.59,482 0.287,483 4.235,484 0.184,485 0.183,486 0.076,487 0.311,493 0.522,494 1.269,495 0.793,496 1.192,497 0.635,498 0.902,499 0.557,500 1.024,501 0.943,502 1.079,503 0.517,504 0.877,505 1.393,506 0.972,507 1.147,508 0.916,509 1.333,510 0.983,511 0.871,512 1.182,513 1.013,514 1.1,515 0.803,516 1.168,517 0.924,518 0.901,519 0.8,520 0.74,521 0.818,522 0.945,523 0.659,524 0.881,525 0.71,526 0.768,527 0.439,528 0.852,529 1.081,530 1.287,531 1.209,532 1.329,533 1.009,534 1.174,535 1.168,536 1.091,537 1.144,538 1.104,539 1.307,540 1.151,541 7,542 0.138,543 2.889,544 1.854,545 0.916,546 1.011,547 0.536,548 0.332,549 0.236,550 0.208,551 5612,552 20330,553 2.006,554 37.8,556 9,557 1,559 1,560 3,564 1.653,565 1.828,566 3.299,567 -0.198,568 1,569 1,571 1,573 68.089,574 1.84,575 3.732,576 4.297,577 4.608,578 4.682,579 4.682,580 2.736,581 3.882,582 4.49,583 3.486,584 882.033,585 7.712,586 10079.3,587 1,588 1,590 1,591 192.75,592 1.72,593 4.418,594 0.28,595 0.012,596 0.078,597 0.055,598 0.031,599 0.042,600 0.024,601 0.016,602 0.015,603 0.014,604 0.566,605 0.5,606 1,607 1.178,608 108.344,609 0.081,610 -0.085,611 0.201,612 -0.06,613 -0.141,614 0.011,615 0.259,616 0.076,617 0.018,618 -0.045,619 0.24,620 0.045,621 -0.339,622 0.051,623 -0.26,624 0.025,625 -0.247,626 -0.082,627 -0.037,628 -0.198,629 -0.173,630 -0.19,631 -0.008,632 -0.215,633 -0.099,634 0.043,635 -0.003,636 0.074,637 -0.103,638 0.033,639 -0.007,640 0.072,641 0.177,642 0.143,643 0.083,644 0.183,645 -0.157,646 -0.266,647 -0.17,648 -0.264,649 -0.058,650 -0.215,651 -0.062,652 -0.143,653 -0.11,654 -0.119,655 -0.171,656 -0.181,657 4.129,658 4.489,659 0.652,660 21.459,661 1.024,662 1.125,663 2.704,664 7.314,665 0.698,666 3.258,667 3.638,668 3.829,669 4.078,670 4.277,671 4.443,672 4.615,673 4.625,674 4.7,675 4.828,676 6.056,677 0.677,678 330.4,679 3.258,680 4.828,681 5.666,682 6.564,683 7.424,684 8.321,685 9.191,686 10.088,687 10.963,688 11.86,689 10.8,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 37,733 19,734 1,735 25,737 39,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 14,782 6,783 1,784 8,785 1,790 4,794 0.667,795 3,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 2,848 23,851 1,855 1,867 1,870 8.1,873 3,877 12.583,878 7.35,879 4.806,880 1.966,881 3.381,882 1.478,883 1.003,884 3.822,885 10.456,886 3.611,887 4.314,888 4.841,889 5.471,890 6.023,891 6.463,892 6.993,893 7.358,894 7.699,895 8.181,896 0.857,897 34,898 8.606,900 3.863,901 8.127,902 15.684,904 12.889,905 2.627,906 60.417,910 153.024,911 104.207,912 52.623,914 69.458,916 6.046,917 98.161,918 222.482,919 52.623,920 16.016,921 18.011,922 71.951,923 109.326,924 9.086,925 13.67,926 141.253,928 153.024,929 150.785,930 69.458,931 6.046,933 153.024,934 69.458,937 31.614,938 85.722,939 39.494,941 153.024,942 122.081,943 104.207,945 6.046,946 153.024,947 16.241,948 83.084,949 18.011,950 102.906,951 153.024,952 122.081,953 104.207,955 0.602,956 0.318,957 0.161,958 0.086,959 19,960 9,961 0.077,962 3,963 1,964 1.133,965 3.477,966 181.792,967 0.133,968 15,969 98.042,973 1,974 15.504,975 5.67,976 3.35,977 0.602,978 120.917,979 12.016,980 8.348,984 2.228,986 18.011,987 379.313,988 36,991 -3.212,993 34.021,997 -0.238,999 37.884,1000 41.617,1001 0.353,1002 0.716,1003 0.825,1004 0.884,1005 0.899,1006 0.899,1007 4.86,1008 1.256,1009 5.72,1010 4.36,1011 4.317,1012 5.001,1013 3.197,1014 6.575,1015 4.203,1016 6.144,1017 1,1018 7.319,1019 3.647,1020 4.205,1021 5.19,1022 1.593,1023 7.758,1024 3.952,1025 7.517,1026 0.421,1027 9.026,1028 2.275,1029 6.019,1030 7.394,1031 5.134,1032 10.732,1033 5.742,1034 8.928,1035 -0.218,1036 10.797,1037 1.103,1038 6.648,1039 8.345,1040 3.032,1041 12.691,1042 6.204,1043 10.37,1044 -0.401,1045 12.61,1046 -0.597,1047 8.039,1048 10.116,1049 7.226,1050 15.269,1051 7.559,1052 11.834,1053 -0.822,1054 14.452,1055 -1.039,1056 8.978,1057 11.389,1058 4.409,1059 17.518,1060 8.334,1061 13.316,1062 -0.948,1063 16.315,1064 -2,1065 10.22,1066 13.004,1067 9.364,1068 19.983,1069 9.517,1070 3.316,1071 -1,1072 18.195,1073 -2.275,1074 11.291,1075 14.416,1076 5.75,1077 22.343,1078 10.438,1079 3.054,1080 11.659,1081 20.087,1082 -2.762,1083 12.482,1084 15.972,1085 11.518,1086 24.78,1087 11.546,1088 2.727,1089 9.777,1090 21.99,1091 4.662,1092 13.609,1093 17.445,1094 7.068,1095 27.185,1096 12.537,1097 2.314,1098 8.77,1099 23.901,1100 4.45,1101 14.785,1102 18.977,1103 13.678,1104 29.62,1105 13.614,1106 1.882,1107 6.617,1108 25.819,1109 3.694,1110 15.938,1111 20.477,1112 8.374,1113 32.046,1114 14.639,1115 1.691,1116 5.17,1117 27.743,1118 2.989,1119 17.112,1120 22.003,1121 15.84,1122 34.485,1123 15.704,1124 1.516,1125 4.388,1126 29.671,1127 2.714,1128 18.278,1129 23.515,1130 9.674,1131 36.922,1132 16.747,1133 5577,1134 10734,1135 16.008,1136 25.841,1137 38.806,1138 40.75,1139 39.014,1140 38.474,1141 38.355,1142 54.223,1143 10.012,1144 115.53,1145 36.358,1146 5.538,1147 7.18,1148 6.525,1149 5.235,1150 5.316,1151 7.662,1152 5.9,1153 18.562,1154 4.953,1155 13.848,1156 1.552,1157 1.63,1158 1.561,1159 1.539,1160 1.534,1161 2.169,1162 0.4,1163 4.621,1164 1.454,1165 4.139,1166 4.176,1167 4.735,1168 4.107,1169 7.716,1170 4.039,1171 4.022,1172 4.011,1173 4.081,1174 3.903,1175 7.43,1176 3.883,1177 3.673,1178 3.683,1179 3.708,1180 3.574,1181 6.999,1182 3.535,1183 3.546,1184 3.58,1185 3.474,1186 3.332,1187 5.152,1188 3.351,1189 3.219,1190 3.278,1191 3.144,1192 3.043,1193 4.698,1194 3.057,1195 2.902,1196 2.973,1197 2.793,1198 2.756,1199 4.285,1200 2.753,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.902,1206 2.715,1207 2.743,1208 2.848,1209 2.547,1210 2.505,1211 3.846,1212 2.498,1213 0.192,1214 0.207,1215 0.284,1216 0.167,1217 0.133,1218 4.802,1219 0.186,1220 5.18,1221 0.118,1222 7.111,1223 0.466,1224 4.184,1225 0.118,1226 3.316,1227 4.662,1228 2.95,1229 11.659,1230 2.953,1231 2.02,1232 2.019,1233 2.064,1234 2.103,1235 1.251,1236 2.114,1237 1.833,1238 1.824,1239 1.854,1240 1.95,1241 1.052,1242 1.976,1243 1.525,1244 1.511,1245 1.734,1246 1.805,1247 0.781,1248 1.775,1249 1.506,1250 1.462,1251 1.577,1252 1.647,1253 0.732,1254 1.694,1255 1.177,1256 1.104,1257 1.337,1258 1.457,1259 0.307,1260 1.437,1261 0.903,1262 0.842,1263 1.181,1264 1.117,1265 0.218,1266 1.116,1267 0.886,1268 0.821,1269 1.07,1270 1.062,1271 0.195,1272 1.107,1273 0.781,1274 0.695,1275 1.038,1276 1.034,1277 0.079,1278 1.064,1279 3.932,1281 5.293,1282 2.398,1283 6.825,1284 4.727,1285 8.434,1286 6.823,1287 10.083,1289 2.563,1296 2.529,1305 25.051,1306 68.089,1307 138.079,1308 158.975,1309 170.485,1310 173.24,1311 173.24,1312 42.85,1313 7.075,1314 93.43,1315 101.81,1316 17,1317 12.389,1318 4.322,1319 3.585,1320 37.055,1321 83,1322 77,1323 0.224,1324 159.353,1325 266.04,1326 380.581,1327 10052,1329 16.613,1330 0.722,1331 0.58,1332 16.863,1333 13.333,1334 10.826,1335 0.433,1336 0.347,1337 6.83,1338 9.581,1339 6.439,1340 5.367,1341 11.72,1342 8.665,1343 11.038,1344 0.298,1345 0.193,1346 12.425,1347 7.149,1348 7.921,1349 0.176,1350 0.097,1351 8.677,1352 4.363,1353 6.658,1354 0.115,1355 0.048,1356 7.175,1357 2.789,1358 5.048,1359 0.071,1360 0.025,1361 5.406,1362 1.769,1363 0.352,1364 77.273,1365 0.25,1366 22.664,1367 0.608,1368 124,1369 427.335,1370 171.972,1371 432.616,1372 579.47,1373 396,1374 144,1375 404.95,1376 196.513,1377 439.401,1378 630.88,1379 409,1380 4}
{0 CHEMBL2064488,1 1.86,2 10.75,3 1.271,4 1.614,5 89.651,6 8.857,7 0.615,8 3.797,9 3.899,10 3.669,11 3.348,12 4.966,13 3.331,14 4.302,15 4.449,16 3.96,17 3.704,18 5.758,19 3.682,20 4.467,21 4.622,22 3.914,23 3.805,24 5.783,25 3.761,26 4.514,27 4.688,28 3.779,29 3.731,30 5.87,31 3.687,32 4.392,33 4.607,34 3.573,35 3.598,36 5.552,37 3.534,38 4.278,39 4.516,40 3.489,41 3.522,42 5.321,43 3.42,44 4.114,45 4.302,46 3.486,47 3.363,48 5.382,49 3.3,50 4.036,51 4.227,52 3.356,53 3.194,54 5.328,55 3.136,56 0.15,57 0.659,58 8.495,59 3.494,60 15.851,61 3.664,62 0.481,63 0.992,64 14.055,65 5.705,66 51.171,67 6.495,68 0.466,69 1.098,70 21.342,71 7.336,72 53.925,73 7.533,74 0.603,75 1.062,76 19.628,77 6.819,78 77.594,79 7.632,80 0.466,81 0.951,82 16.401,83 5.666,84 44.44,85 7.188,86 0.315,87 0.847,88 16.307,89 5.97,90 25.902,91 7.85,92 0.289,93 0.726,94 15.07,95 5.101,96 31.032,97 5.918,98 0.421,99 0.644,100 13.557,101 4.148,102 42.264,103 4.713,104 34,105 38,106 0.326,107 0.672,108 0.775,109 0.827,110 0.839,111 0.839,112 3.228,113 0.987,114 -3.19,115 -3.18,116 -3.05,119 38.5,120 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 3,175 4,178 5,180 1,183 8,187 9,190 1,192 2,195 7,198 2,199 11,204 3,207 4,211 1,212 8,217 3,220 2,224 7,229 2,232 1,237 6,242 3,245 2,249 2,250 3,253 1,255 3,258 1,262 2,263 2,266 1,271 2,275 798,276 15.72,277 15.72,278 15.72,279 15.72,280 15.72,281 13.48,282 9.715,283 8.921,284 16.051,285 12.742,286 12.742,287 12.742,288 12.742,289 12.742,290 9.172,291 11.073,292 4.152,293 13.335,294 3.425,295 1.453,296 0.866,297 0.571,298 0.5,299 0.5,300 3.904,304 1,305 1,306 541,307 3.742,310 57.424,311 142.44,314 101.808,318 1.833,319 31.874,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 258,332 4.842,333 4.682,334 7.286,335 4.287,336 3.37,337 4.697,338 1.907,339 12.335,340 3.068,341 4.512,342 3.536,343 6.336,344 4.006,345 3.055,346 4.451,347 0.149,348 9.778,349 2.916,350 4.109,351 3.05,352 6.045,353 3.704,354 2.73,355 3.697,357 8.774,358 2.637,359 3.663,360 2.727,361 5.258,362 3.291,363 2.315,364 2.992,366 6.618,367 2.255,368 3.397,369 2.143,370 4.899,371 2.903,372 1.907,373 2.722,375 5.319,376 1.893,377 3.158,378 1.884,379 4.474,380 2.677,381 1.703,382 2.373,384 4.396,385 1.644,386 3.013,387 1.526,388 4.383,389 2.476,390 1.518,391 2.25,393 4.377,394 1.45,395 2.762,396 1.408,397 4.253,398 2.262,399 1.279,400 1.869,402 3.685,403 1.253,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 1.911,414 0.765,415 3.195,416 1.393,417 0.437,418 0.627,420 1.106,421 0.415,422 1.539,423 0.589,424 3.124,425 1.304,426 0.37,427 0.418,428 0.508,429 0.345,430 1.128,431 0.425,432 2.694,433 0.736,434 -0.22,435 -0.268,436 -0.6,437 -0.208,438 1,439 0.125,440 2.547,441 0.554,442 -0.409,443 -0.543,445 -1.055,446 -0.389,447 0.988,448 -0.024,449 2.426,450 0.143,451 -0.823,452 -1.153,454 -2,455 -0.778,456 0.665,457 -0.605,458 2.171,459 0.09,460 -0.948,461 -1.346,463 -2.277,464 -0.908,465 11.333,466 0.472,467 0.786,468 0.033,469 34.75,470 1.448,471 19,472 0.792,473 15.75,474 0.656,475 15.379,476 0.641,477 25.867,478 0.663,479 26.067,480 1.086,481 6.858,482 0.286,483 4.528,484 0.189,485 0.176,486 0.074,487 0.3,493 0.568,494 1.388,495 0.783,496 1.262,497 0.648,498 0.917,499 0.523,500 0.926,501 0.771,502 0.877,503 0.515,504 0.819,505 1.205,506 1.11,507 1.333,508 1.196,509 1.103,510 1.009,511 1.277,512 1.097,513 1.092,514 0.998,515 1.28,516 1.097,517 0.966,518 0.954,519 0.86,520 0.805,521 0.849,522 1.024,523 0.602,524 0.933,525 0.727,526 0.853,527 0.422,528 0.954,529 0.969,530 1.229,531 1.071,532 1.233,533 0.909,534 1.075,535 1.21,536 0.982,537 1.124,538 1.019,539 1.336,540 1.05,541 7,542 0.151,543 3.333,544 1.854,545 0.916,546 1.039,547 0.576,548 0.332,549 0.236,550 0.218,551 6307,552 22759,553 2.005,554 38.5,556 9,557 1,559 2,560 3,564 1.664,565 1.834,566 3.379,567 0.42,568 1,569 1,571 1,573 72.559,574 1.86,575 3.832,576 4.419,577 4.715,578 4.785,579 4.785,580 2.907,581 4.054,582 4.552,583 3.551,584 980.2,585 7.835,586 11587.7,587 1,588 1,591 206.131,592 1.697,593 4.483,594 0.269,595 0.011,596 0.088,597 0.05,598 0.029,599 0.04,600 0.025,601 0.015,602 0.013,603 0.013,604 0.552,605 0.33,606 1,607 1.26,608 115.001,609 0.064,610 -0.161,611 0.211,612 -0.115,613 -0.15,614 0.006,615 0.328,616 0.196,617 0.121,618 0.103,619 0.246,620 0.088,621 -0.246,622 -0.044,623 -0.254,624 -0.086,625 -0.116,626 -0.052,627 -0.211,628 -0.127,629 -0.235,630 -0.091,631 -0.154,632 -0.167,633 -0.145,634 0.011,635 -0.099,636 0.01,637 -0.134,638 -0.071,639 0.025,640 -0.01,641 0.15,642 0.07,643 0.079,644 0.102,645 -0.085,646 -0.255,647 -0.015,648 -0.168,649 -0.007,650 -0.059,651 -0.078,652 -0.007,653 -0.097,654 -0.043,655 -0.174,656 -0.106,657 4.374,658 4.746,659 0.625,660 23.396,661 1.025,662 1.131,663 1.956,664 3.826,665 0.688,666 3.296,667 3.664,668 3.892,669 4.111,670 4.304,671 4.466,672 4.654,673 4.682,674 4.736,675 4.875,676 6.289,677 0.669,678 345.42,679 3.296,680 4.86,681 5.707,682 6.6,683 7.467,684 8.362,685 9.237,686 10.132,687 11.012,688 11.908,689 12.8,691 1,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 39,733 19,734 1,735 26,737 41,738 15,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 15,782 7,783 2,784 9,785 1,790 5,794 0.667,795 3,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 2,848 24,852 1,855 2,867 1,870 7.7,873 3,877 13.083,878 7.6,879 5.181,880 2.091,881 3.372,882 1.471,883 1.001,884 4.263,885 10.532,886 3.638,887 4.327,888 4.88,889 5.484,890 6.034,891 6.473,892 7.008,893 7.38,894 7.712,895 8.2,896 1,897 37,898 9.002,900 4.035,901 8.122,902 16.317,904 13.258,905 2.622,906 62.917,910 153.024,911 105.175,912 69.028,914 69.458,916 5.807,917 99.367,918 222.482,919 69.028,920 17.222,921 18.011,922 88.117,923 109.326,924 9.086,925 13.67,926 141.253,928 153.024,929 168.396,930 69.458,931 5.807,933 153.024,934 69.458,937 48.019,938 86.928,939 39.256,941 153.024,942 138.486,943 105.175,945 5.807,946 153.024,947 16.241,948 84.29,949 34.416,950 102.906,951 153.024,952 138.486,953 105.175,955 0.595,956 0.335,957 0.164,958 0.084,959 19,960 9,961 0.098,962 4,963 1,964 1.133,965 3.561,966 192.341,967 0.133,968 15,969 102.039,973 1,974 16.43,975 6.227,976 3.425,977 0.594,978 137.322,979 11.892,980 8.354,984 2.109,986 34.416,987 396.685,988 37,991 -3.458,993 34.554,997 -0.243,999 39.985,1000 44.116,1001 0.352,1002 0.725,1003 0.836,1004 0.892,1005 0.905,1006 0.905,1007 4.883,1008 1.279,1009 5.753,1010 4.377,1011 4.344,1012 5.014,1013 1.953,1014 6.616,1015 4.253,1016 6.159,1017 1,1018 7.359,1019 3.685,1020 4.205,1021 5.19,1022 1.593,1023 7.854,1024 4.032,1025 7.532,1026 0.437,1027 9.076,1028 2.275,1029 6.052,1030 7.408,1031 2.904,1032 10.841,1033 5.834,1034 8.945,1035 0.37,1036 10.86,1037 1.106,1038 6.686,1039 8.363,1040 3.032,1041 12.88,1042 6.362,1043 10.391,1044 -0.22,1045 12.688,1046 0.508,1047 8.089,1048 10.137,1049 4.037,1050 15.487,1051 7.717,1052 11.861,1053 -0.409,1054 14.548,1055 -0.6,1056 9.043,1057 11.418,1058 4.409,1059 17.815,1060 8.56,1061 13.349,1062 -0.823,1063 16.432,1064 -1.055,1065 10.295,1066 13.035,1067 5.25,1068 20.328,1069 9.752,1070 3.37,1071 -0.948,1072 18.334,1073 -2,1074 11.383,1075 14.456,1076 5.75,1077 22.761,1078 10.733,1079 3.055,1080 12.335,1081 20.25,1082 -2.277,1083 12.586,1084 16.014,1085 6.501,1086 25.256,1087 11.862,1088 2.73,1089 9.778,1090 22.178,1091 4.697,1092 13.731,1093 17.495,1094 7.068,1095 27.731,1096 12.906,1097 2.315,1098 8.774,1099 24.115,1100 4.451,1101 14.921,1102 19.032,1103 7.771,1104 30.228,1105 14.012,1106 1.907,1107 6.618,1108 26.06,1109 3.697,1110 16.092,1111 20.539,1112 8.374,1113 32.72,1114 15.084,1115 1.703,1116 5.319,1117 28.011,1118 2.992,1119 17.281,1120 22.07,1121 9.051,1122 35.221,1123 16.184,1124 1.518,1125 4.396,1126 29.967,1127 2.722,1128 18.465,1129 23.589,1130 9.674,1131 37.723,1132 17.271,1133 6277,1134 12052,1135 16.701,1136 26.847,1137 39.501,1138 40.793,1139 41.027,1140 39.367,1141 39.365,1142 55.194,1143 4.112,1144 118.345,1145 37.754,1146 5.578,1147 6.682,1148 6.7,1149 5.34,1150 5.37,1151 7.697,1152 3.306,1153 19.421,1154 5.068,1155 14.273,1156 1.519,1157 1.569,1158 1.578,1159 1.514,1160 1.514,1161 2.123,1162 0.158,1163 4.552,1164 1.452,1165 4.138,1166 4.176,1167 4.734,1168 4.082,1169 7.717,1170 4.031,1171 4.017,1172 4.012,1173 4.081,1174 3.891,1175 7.43,1176 3.87,1177 3.674,1178 3.693,1179 3.708,1180 3.553,1181 6.999,1182 3.516,1183 3.547,1184 3.589,1185 3.475,1186 3.33,1187 5.152,1188 3.348,1189 3.234,1190 3.302,1191 3.146,1192 3.046,1193 4.699,1194 3.062,1195 3.091,1196 3.152,1197 2.906,1198 2.864,1199 4.288,1200 2.838,1201 2.89,1202 2.96,1203 2.788,1204 2.735,1205 4.13,1206 2.721,1207 2.854,1208 2.925,1209 2.687,1210 2.73,1211 3.902,1212 2.715,1213 0.186,1214 0.18,1215 0.28,1216 0.165,1217 0.13,1218 4.842,1219 0.181,1220 4.682,1221 0.073,1222 7.286,1223 0.474,1224 4.287,1225 0.118,1226 3.37,1227 4.697,1228 1.907,1229 12.335,1230 3.068,1231 2.013,1232 2.006,1233 2.063,1234 2.103,1235 1.227,1236 2.11,1237 1.819,1238 1.807,1239 1.849,1240 1.953,1241 1.013,1242 1.97,1243 1.522,1244 1.483,1245 1.734,1246 1.805,1247 0.733,1248 1.775,1249 1.485,1250 1.459,1251 1.652,1252 1.695,1253 0.727,1254 1.717,1255 1.18,1256 1.106,1257 1.338,1258 1.457,1259 0.428,1260 1.437,1261 1.075,1262 1.004,1263 1.181,1264 1.303,1265 0.273,1266 1.351,1267 0.886,1268 0.821,1269 1.09,1270 1.089,1271 0.218,1272 1.107,1273 0.827,1274 0.775,1275 1.056,1276 1.062,1277 0.08,1278 1.087,1279 3.97,1281 5.323,1282 2.398,1283 6.86,1284 4.727,1285 8.474,1286 6.823,1287 10.129,1289 2.756,1296 4.803,1305 26.073,1306 72.559,1307 149.46,1308 172.356,1309 183.866,1310 186.621,1311 186.621,1312 45.708,1313 7.159,1314 105.46,1315 113.84,1316 17,1317 12.436,1318 4.322,1319 3.585,1320 39.509,1321 90,1322 84,1323 0.219,1324 166.147,1325 277.04,1326 397.159,1327 11224,1329 17.32,1330 0.722,1331 0.576,1332 17.57,1333 13.833,1334 11.386,1335 0.438,1336 0.329,1337 7.065,1338 10.005,1339 6.736,1340 5.627,1341 12.207,1342 8.552,1343 11.014,1344 0.29,1345 0.183,1346 12.389,1347 6.956,1348 8.712,1349 0.182,1350 0.1,1351 9.865,1352 4.816,1353 6.863,1354 0.114,1355 0.049,1356 7.481,1357 2.939,1358 5.204,1359 0.071,1360 0.026,1361 5.638,1362 1.871,1363 0.346,1364 80.436,1365 0.245,1366 23.55,1367 0.593,1368 128,1369 445.668,1370 181.254,1371 449.021,1372 605.67,1373 412,1374 150,1375 423.483,1376 207.738,1377 460.801,1378 668.26,1379 431,1380 4}
{0 CHEMBL2064489,1 1.759,2 12,3 2.599,4 6.756,5 103.525,6 8.073,7 0.552,8 3.974,9 4.088,10 3.755,11 3.518,12 5.067,13 3.483,14 4.509,15 4.676,16 4.037,17 3.879,18 5.846,19 3.827,20 4.722,21 4.927,22 4.022,23 3.984,24 5.88,25 3.903,26 4.738,27 4.944,28 3.999,29 3.946,30 5.962,31 3.867,32 4.667,33 4.873,34 3.943,35 3.891,36 5.85,37 3.816,38 4.626,39 4.818,40 3.872,41 3.876,42 5.842,43 3.791,44 4.608,45 4.804,46 3.758,47 3.776,48 5.848,49 3.693,50 4.475,51 4.709,52 3.588,53 3.644,54 5.59,55 3.529,56 0.133,57 0.774,58 11.893,59 4.456,60 17.702,61 5.359,62 0.471,63 1.183,64 19.727,65 7.491,66 59.465,67 9.453,68 0.462,69 1.344,70 29.593,71 9.485,72 65.392,73 11.59,74 0.562,75 1.315,76 29.513,77 9.233,78 82.584,79 11.431,80 0.511,81 1.241,82 27.606,83 8.395,84 64.656,85 10.29,86 0.404,87 1.189,88 27.737,89 8.814,90 56.786,91 10.652,92 0.582,93 1.1,94 24.203,95 7.747,96 78.198,97 9.741,98 0.399,99 0.982,100 20.909,101 6.993,102 52.033,103 9.66,104 37,105 41,106 0.297,107 0.639,108 0.805,109 0.873,110 0.88,111 0.88,112 3.34,113 1.046,114 -3.92,115 -3.87,116 -3.67,119 37.5,120 2,121 2,125 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 9,174 3,175 4,178 5,180 2,183 9,187 9,190 1,192 3,195 6,198 2,199 13,204 4,207 4,211 1,212 11,217 4,220 4,224 9,229 2,232 6,236 2,237 6,240 1,242 3,245 8,249 2,250 2,253 1,255 1,258 6,262 2,263 3,266 1,268 1,271 6,275 1162,276 17.842,277 17.842,278 17.842,279 17.842,280 17.842,281 15.602,282 11.296,283 10.649,284 18.191,285 14.32,286 14.32,287 14.32,288 14.32,289 14.32,290 10.765,291 11.073,292 5.049,293 14.926,294 3.826,295 1.795,296 0.813,297 0.406,298 0.365,299 0.365,300 4.018,303 1,304 1,305 1,306 676,307 4.123,310 64.405,311 163.383,314 112.922,318 1.852,319 35.117,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 324,332 4.85,333 4.684,334 7.297,335 4.303,336 3.383,337 4.705,338 1.907,339 12.432,340 3.09,341 4.511,342 3.536,343 6.337,344 4.001,345 3.052,346 4.449,347 0.149,348 9.781,349 2.905,350 4.104,351 3.049,352 6.05,353 3.697,354 2.723,355 3.691,357 8.805,358 2.632,359 3.663,360 2.723,361 5.259,362 3.291,363 2.315,364 2.992,366 6.627,367 2.256,368 3.391,369 2.148,370 4.933,371 2.913,372 1.92,373 2.711,375 5.416,376 1.901,377 3.149,378 1.955,379 4.46,380 2.687,381 1.713,382 2.367,384 4.386,385 1.655,386 3.01,387 1.687,388 4.38,389 2.595,390 1.61,391 2.241,393 4.346,394 1.582,395 2.755,396 1.522,397 4.229,398 2.473,399 1.514,400 1.848,402 3.603,403 1.447,404 2.637,405 1.341,406 3.644,407 2.23,408 1.243,409 1.647,411 3.036,412 1.223,413 2.576,414 1.109,415 3.476,416 2.082,417 1.087,418 1.598,420 2.493,421 1.081,422 1.903,423 0.846,424 3.164,425 1.669,426 0.703,427 0.74,428 1.19,429 0.677,430 1.784,431 0.589,432 3.066,433 1.375,434 0.411,435 0.611,436 1.08,437 0.395,438 1.107,439 0.41,440 2.669,441 0.726,442 -0.229,443 -0.277,445 -0.569,446 -0.217,447 1,448 0.116,449 2.594,450 0.636,451 -0.346,452 -0.363,454 -0.631,455 -0.339,456 0.888,457 -0.019,458 2.506,459 0.447,460 -0.526,461 -0.709,463 -1.392,464 -0.508,465 12.833,466 0.475,467 0.786,468 0.029,469 36.25,470 1.343,471 19,472 0.704,473 17.25,474 0.639,475 20.794,476 0.77,477 29.767,478 0.62,479 27.97,480 1.036,481 6.808,482 0.252,483 6.078,484 0.225,485 0.156,486 0.065,487 0.265,493 0.554,494 1.407,495 0.815,496 1.281,497 0.633,498 0.991,499 0.487,500 1.06,501 0.801,502 0.995,503 0.481,504 0.951,505 1.098,506 1.045,507 1.13,508 1.047,509 1.012,510 0.924,511 1.178,512 1.068,513 1.089,514 1.01,515 1.174,516 0.95,517 1.256,518 0.974,519 1.146,520 0.97,521 1.19,522 0.91,523 1.177,524 1.146,525 1.286,526 1.263,527 1.113,528 1.078,529 1.366,530 1,531 1.075,532 0.995,533 1.586,534 1.094,535 0.724,536 1.011,537 0.825,538 0.98,539 0.762,540 1.073,541 7,542 0.127,543 3.111,544 2.104,545 1.253,546 1.261,547 0.537,548 0.4,549 0.31,550 0.221,551 8552,552 26126,553 2.005,554 43.8,555 5,556 8,557 1,559 2,560 3,561 2,564 1.7,565 1.851,566 3.534,567 0.341,568 1,569 1,573 84.416,574 1.759,575 3.79,576 4.772,577 5.179,578 5.22,579 5.22,580 3.056,581 4.385,582 4.719,583 3.677,584 1290.79,585 8.191,586 16701.7,588 1,590 1,591 268.078,592 1.623,593 4.663,594 0.241,595 0.007,596 0.076,597 0.053,598 0.033,599 0.035,600 0.016,601 0.014,602 0.013,603 0.01,604 0.498,605 0.33,606 1,607 1.711,608 134.815,609 0.092,610 -0.143,611 0.208,612 -0.095,613 -0.123,614 0.005,615 0.36,616 0.068,617 0.117,618 0.015,619 0.273,620 0.009,621 -0.14,622 -0.005,623 -0.041,624 0.032,625 -0.066,626 0.066,627 -0.101,628 -0.06,629 -0.037,630 0.018,631 -0.064,632 0.02,633 -0.186,634 0.065,635 -0.074,636 0.063,637 -0.131,638 0.049,639 -0.168,640 -0.121,641 -0.164,642 -0.141,643 -0.04,644 -0.075,645 -0.147,646 -0.039,647 -0.155,648 -0.055,649 -0.226,650 -0.147,651 0.1,652 -0.065,653 0.043,654 -0.062,655 0.02,656 -0.08,657 4.464,658 5.43,659 0.556,660 27.898,661 1.013,662 1.133,663 2.686,664 7.216,665 0.669,666 3.401,667 3.738,668 3.951,669 4.205,670 4.419,671 4.543,672 4.7,673 4.787,674 4.868,675 4.97,676 6.779,677 0.639,678 387.51,679 3.401,680 4.949,681 5.784,682 6.671,683 7.533,684 8.427,685 9.301,686 10.197,687 11.078,688 11.975,689 10.4,691 1,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 48,733 19,734 1,735 29,737 50,738 18,739 12,740 2,741 4,746 3,747 4,752 2,758 2,761 13,762 5,766 3,769 1,771 3,775 1,777 1,778 1,781 21,782 7,783 2,784 9,785 1,790 5,794 0.667,795 3,805 1,811 1,812 2,815 1,826 1,840 2,842 1,844 2,848 27,852 1,854 3,855 2,867 1,870 6.3,873 3,877 14.583,878 9.1,879 5.931,880 2.966,881 3.396,882 1.46,883 0.984,884 5.781,885 10.776,886 3.714,887 4.366,888 4.902,889 5.522,890 6.081,891 6.488,892 7.007,893 7.426,894 7.762,895 8.201,896 1,897 40,898 10.189,900 4.518,901 7.997,902 18.766,904 15.238,905 2.497,906 67.417,909 1,910 223.651,911 112.778,912 69.028,914 69.458,916 5.807,917 106.971,918 293.109,919 69.028,920 17.65,921 25.186,922 88.117,923 109.326,924 9.086,925 13.67,926 211.88,928 223.651,929 175.999,930 69.458,931 5.807,933 200.109,934 93,937 64.019,938 78.531,939 39.256,941 223.651,942 138.486,943 112.778,945 5.807,946 223.651,947 23.416,948 84.719,949 34.416,950 102.906,951 223.651,952 138.486,953 112.778,955 0.58,956 0.317,957 0.167,958 0.093,959 19,960 9,961 0.14,962 7,963 1,964 1.133,965 3.833,966 224.002,967 0.133,968 15,969 124.382,973 1,974 19.336,975 8.072,976 4.649,977 0.576,978 137.322,979 12.063,980 8.403,984 1.962,986 34.416,987 474.916,988 40,991 -3.547,993 36.001,997 -0.25,999 48.636,1000 54.361,1001 0.315,1002 0.679,1003 0.854,1004 0.927,1005 0.935,1006 0.935,1007 4.949,1008 1.514,1009 5.808,1010 4.346,1011 4.419,1012 5.053,1013 1.953,1014 6.655,1015 4.332,1016 6.203,1017 1.243,1018 7.397,1019 3.603,1020 4.205,1021 5.19,1022 1.593,1023 7.854,1024 4.032,1025 7.562,1026 1.087,1027 9.101,1028 3.036,1029 6.094,1030 7.419,1031 2.904,1032 10.872,1033 5.881,1034 8.965,1035 0.703,1036 10.877,1037 2.493,1038 6.686,1039 8.363,1040 3.032,1041 12.902,1042 6.362,1043 10.405,1044 0.411,1045 12.701,1046 1.19,1047 8.112,1048 10.141,1049 4.037,1050 15.527,1051 7.745,1052 11.871,1053 -0.229,1054 14.56,1055 1.08,1056 9.051,1057 11.422,1058 4.409,1059 17.857,1060 8.569,1061 13.357,1062 -0.346,1063 16.444,1064 -0.569,1065 10.315,1066 13.041,1067 5.25,1068 20.382,1069 9.775,1070 3.383,1071 -0.526,1072 18.346,1073 -0.631,1074 11.4,1075 14.462,1076 5.75,1077 22.822,1078 10.752,1079 3.052,1080 12.432,1081 20.264,1082 -1.392,1083 12.609,1084 16.022,1085 6.501,1086 25.328,1087 11.89,1088 2.723,1089 9.781,1090 22.193,1091 4.705,1092 13.756,1093 17.504,1094 7.068,1095 27.81,1096 12.935,1097 2.315,1098 8.805,1099 24.132,1100 4.449,1101 14.951,1102 19.043,1103 7.771,1104 30.316,1105 14.048,1106 1.92,1107 6.627,1108 26.078,1109 3.691,1110 16.126,1111 20.552,1112 8.374,1113 32.817,1114 15.124,1115 1.713,1116 5.416,1117 28.031,1118 2.992,1119 17.32,1120 22.084,1121 9.051,1122 35.327,1123 16.23,1124 1.61,1125 4.386,1126 29.988,1127 2.711,1128 18.508,1129 23.605,1130 9.674,1131 37.837,1132 17.323,1133 8539,1134 15122,1135 18.781,1136 32.131,1137 43.562,1138 44.714,1139 44.728,1140 43.377,1141 43.348,1142 59.198,1143 4.112,1144 126.393,1145 41.685,1146 5.729,1147 6.684,1148 7.196,1149 5.363,1150 5.383,1151 7.705,1152 3.306,1153 19.704,1154 5.09,1155 15.383,1156 1.502,1157 1.542,1158 1.542,1159 1.496,1160 1.495,1161 2.041,1162 0.142,1163 4.358,1164 1.437,1165 4.143,1166 4.179,1167 4.735,1168 4.089,1169 7.717,1170 4.037,1171 4.017,1172 4.016,1173 4.08,1174 3.884,1175 7.43,1176 3.867,1177 3.715,1178 3.769,1179 3.707,1180 3.587,1181 6.999,1182 3.565,1183 3.593,1184 3.633,1185 3.478,1186 3.459,1187 5.152,1188 3.42,1189 3.537,1190 3.561,1191 3.459,1192 3.335,1193 4.699,1194 3.346,1195 3.239,1196 3.3,1197 3.159,1198 3.065,1199 4.295,1200 3.08,1201 3.107,1202 3.186,1203 2.886,1204 2.905,1205 4.208,1206 2.874,1207 2.922,1208 2.987,1209 2.81,1210 2.786,1211 3.902,1212 2.782,1213 0.167,1214 0.162,1215 0.252,1216 0.148,1217 0.117,1218 4.85,1219 0.162,1220 4.684,1221 0.066,1222 7.297,1223 0.429,1224 4.303,1225 0.107,1226 3.383,1227 4.705,1228 1.907,1229 12.432,1230 3.09,1231 2.016,1232 2.011,1233 2.062,1234 2.105,1235 1.28,1236 2.114,1237 1.82,1238 1.803,1239 1.968,1240 1.966,1241 1.211,1242 1.983,1243 1.687,1244 1.622,1245 1.849,1246 1.855,1247 0.996,1248 1.882,1249 1.521,1250 1.466,1251 1.734,1252 1.805,1253 0.77,1254 1.775,1255 1.431,1256 1.431,1257 1.585,1258 1.617,1259 0.732,1260 1.655,1261 1.18,1262 1.108,1263 1.339,1264 1.457,1265 0.509,1266 1.437,1267 1.108,1268 1.031,1269 1.175,1270 1.331,1271 0.308,1272 1.385,1273 0.954,1274 0.901,1275 1.134,1276 1.139,1277 0.206,1278 1.136,1279 4.078,1281 5.407,1282 2.398,1283 6.921,1284 4.727,1285 8.522,1286 6.823,1287 10.172,1289 3.393,1295 2.124,1296 5.148,1305 30.653,1306 84.416,1307 181.897,1308 229.059,1309 248.568,1310 250.568,1311 250.568,1312 59.291,1313 7.38,1314 105.46,1315 113.84,1316 17,1317 12.503,1318 4.322,1319 3.585,1320 47.092,1321 108,1322 126,1323 0.215,1324 194.924,1325 328.94,1326 467.375,1327 15368,1329 19.441,1330 0.72,1331 0.591,1332 19.691,1333 15.954,1334 12.886,1335 0.444,1336 0.349,1337 8.631,1338 11.564,1339 8.276,1340 6.948,1341 13.707,1342 10.113,1343 12.13,1344 0.296,1345 0.192,1346 13.453,1347 7.883,1348 9.169,1349 0.18,1350 0.105,1351 10.263,1352 5.378,1353 7.602,1354 0.115,1355 0.056,1356 8.476,1357 3.693,1358 5.96,1359 0.073,1360 0.032,1361 6.771,1362 2.618,1363 0.339,1364 89.332,1365 0.231,1366 26.074,1367 0.581,1368 140,1369 457.668,1370 193.587,1371 461.625,1372 623.93,1373 424,1374 162,1375 437.765,1376 221.741,1377 474.974,1378 689.76,1379 445,1380 5}
{0 CHEMBL2064490,1 1.751,2 12.9,3 2.854,4 8.146,5 114.264,6 8.602,7 0.667,8 4.013,9 4.114,10 3.841,11 3.61,12 5.161,13 3.584,14 4.516,15 4.653,16 4.136,17 3.975,18 5.905,19 3.938,20 4.729,21 4.897,22 4.116,23 4.079,24 5.939,25 4.009,26 4.775,27 4.969,28 4.086,29 4.022,30 6.017,31 3.945,32 4.682,33 4.878,34 4.073,35 3.97,36 5.907,37 3.9,38 4.673,39 4.855,40 4.026,41 3.959,42 5.954,43 3.893,44 4.614,45 4.784,46 3.917,47 3.876,48 5.929,49 3.818,50 4.529,51 4.741,52 3.742,53 3.774,54 5.71,55 3.684,56 0.136,57 0.785,58 10.389,59 4.455,60 17.072,61 4.813,62 0.452,63 1.226,64 16.539,65 7.312,66 53.043,67 8.467,68 0.421,69 1.429,70 26.049,71 9.797,72 59.356,73 10.695,74 0.566,75 1.43,76 26.718,77 9.702,78 79.98,79 11.101,80 0.446,81 1.344,82 26.467,83 9.133,84 47.407,85 10.221,86 0.445,87 1.285,88 27.143,89 9.385,90 58.678,91 10.246,92 0.55,93 1.187,94 22.724,95 8.2,96 69.988,97 9.007,98 0.449,99 1.095,100 20.471,101 7.591,102 61.041,103 9.557,104 19,105 47,106 0.29,107 0.596,108 0.73,109 0.845,110 0.872,111 0.872,112 3.44,113 0.97,114 -4.39,115 -4.32,116 -4.07,119 42.9,120 1,125 1,142 11,143 3,144 1,150 1,151 1,158 1,161 1,166 1,172 13,174 3,175 4,178 5,180 2,183 14,187 9,190 1,192 4,195 9,198 2,199 13,204 5,207 4,211 1,212 13,217 5,220 4,224 11,229 2,232 8,236 2,237 8,240 1,242 3,245 12,249 2,250 2,253 1,255 1,258 12,262 2,263 3,266 1,268 1,271 11,275 1550,276 19.988,277 19.988,278 19.988,279 19.988,280 19.988,281 16.997,282 14.934,283 11.789,284 20.329,285 16.338,286 16.338,287 16.338,288 16.338,289 16.338,290 11.739,291 18.958,292 5.661,293 16.936,294 3.864,295 2.014,296 1.2,297 0.505,298 0.342,299 0.342,300 4.134,304 1,305 1,306 836,307 3.937,310 72.857,311 290.745,314 127.189,318 2.1,319 36.484,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 65.5,331 387,332 4.851,333 4.685,334 7.298,335 4.305,336 3.385,337 4.705,338 1.907,339 12.435,340 3.093,341 4.511,342 3.536,343 6.337,344 4.001,345 3.052,346 4.449,347 0.522,348 9.781,349 2.906,350 4.105,351 3.049,352 6.051,353 3.699,354 2.725,355 3.692,356 0.149,357 8.805,358 2.634,359 3.889,360 2.75,361 5.347,362 3.495,363 2.501,364 3.44,366 6.964,367 2.484,368 3.663,369 2.71,370 5.259,371 3.29,372 2.314,373 2.992,375 6.626,376 2.255,377 3.389,378 2.142,379 4.914,380 2.899,381 1.903,382 2.71,384 5.388,385 1.889,386 3.148,387 1.877,388 4.458,389 2.671,390 1.696,391 2.367,393 4.386,394 1.638,395 3.01,396 1.625,397 4.379,398 2.498,399 1.52,400 2.241,402 4.34,403 1.492,404 2.923,405 1.522,406 4.225,407 2.471,408 1.498,409 2.092,411 3.571,412 1.447,413 2.737,414 1.367,415 3.647,416 2.234,417 1.247,418 1.83,420 3.129,421 1.226,422 2.58,423 1.11,424 3.492,425 2.083,426 1.087,427 1.616,428 2.503,429 1.081,430 2.5,431 1,432 3.259,433 2,434 1,435 1.5,436 2.136,437 1,438 1.903,439 0.802,440 3.247,441 1.537,442 0.586,443 0.694,445 1.376,446 0.555,447 1.824,448 0.589,449 3.161,450 1.375,451 0.41,452 0.61,454 1.081,455 0.395,456 1.107,457 0.41,458 2.709,459 0.726,460 -0.229,461 -0.277,463 -0.631,464 -0.217,465 14.333,466 0.478,467 0.854,468 0.028,469 44.25,470 1.475,471 25,472 0.833,473 19.25,474 0.642,475 20.527,476 0.684,477 31.267,478 0.638,479 34.921,480 1.164,481 8.766,482 0.292,483 5.638,484 0.188,485 0.105,486 0.058,487 0.272,493 0.548,494 1.247,495 0.774,496 1.158,497 0.637,498 0.879,499 0.505,500 1.006,501 0.828,502 0.972,503 0.514,504 0.938,505 1.123,506 1.136,507 1.241,508 1.167,509 1.064,510 1.067,511 1.191,512 1.069,513 1.04,514 0.974,515 1.192,516 1.01,517 1.104,518 1.015,519 1.141,520 1.037,521 0.967,522 0.916,523 1.289,524 1.025,525 1.223,526 1.131,527 1.231,528 0.966,529 1.385,530 0.982,531 1.153,532 1.046,533 1.591,534 1.064,535 0.872,536 0.899,537 0.855,538 0.894,539 0.95,540 1.008,541 7.5,542 0.123,543 3.333,544 2.042,545 1.404,546 1.462,547 0.64,548 0.419,549 0.359,550 0.227,551 12578,552 38651,553 2.079,554 38.8,556 13,557 1,559 2,560 3,564 1.726,565 1.946,566 3.645,567 0.276,568 1,569 1,573 85.807,574 1.751,575 3.601,576 4.415,577 5.11,578 5.273,579 5.273,580 3.127,581 4.374,582 4.873,583 3.809,584 1657.07,585 8.494,586 23400.8,588 1,590 1,591 275.121,592 1.524,593 4.832,594 0.227,595 0.005,596 0.071,597 0.045,598 0.034,599 0.036,600 0.016,601 0.012,602 0.012,603 0.008,604 0.467,605 0.17,606 1,607 0.878,608 155.712,609 0.087,610 -0.087,611 0.195,612 -0.075,613 -0.139,614 0.022,615 0.342,616 0.094,617 0.046,618 -0.01,619 0.239,620 -0.044,621 -0.17,622 -0.102,623 -0.178,624 -0.106,625 -0.111,626 -0.107,627 -0.11,628 -0.082,629 -0.031,630 0.009,631 -0.089,632 -0.046,633 -0.106,634 0.022,635 -0.005,636 0.03,637 -0.017,638 0.06,639 -0.182,640 -0.037,641 -0.081,642 -0.038,643 -0.04,644 0.023,645 -0.142,646 -0.012,647 -0.178,648 -0.067,649 -0.208,650 -0.124,651 0.041,652 0.038,653 0.034,654 0.029,655 -0.038,656 -0.009,657 4.59,658 5.729,659 0.7,660 34,661 1.015,662 1.121,663 3.155,664 9.957,665 0.701,666 3.526,667 3.871,668 4.094,669 4.344,670 4.575,671 4.654,672 4.82,673 4.92,674 5.017,675 5.118,676 7.408,677 0.676,678 421.52,679 3.526,680 5.081,681 5.922,682 6.806,683 7.667,684 8.555,685 9.426,686 10.316,687 11.194,688 12.085,689 10.2,691 1,696 1,697 1,699 2,703 1,704 12,705 2,709 5,711 22,731 49,733 25,734 2,735 33,737 52,738 21,739 18,740 3,741 9,746 4,747 5,752 1,761 19,762 2,766 3,769 1,771 3,775 1,778 1,781 19,782 7,783 2,784 9,785 1,790 5,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 30,852 1,854 1,855 2,867 1,870 6.1,873 3,877 15.417,878 9.017,879 6.431,880 2.702,881 4.163,882 1.533,883 1.021,884 5.533,885 11.973,886 3.871,887 4.535,888 5.078,889 5.679,890 6.241,891 6.569,892 7.076,893 7.494,894 7.845,895 8.272,896 0.889,897 45,898 11.301,900 5.088,901 7.969,902 20.736,904 17.055,905 2.469,906 74.083,909 1,910 200.109,911 149.451,912 69.028,914 69.458,916 5.807,917 143.644,918 269.567,919 69.028,920 8.825,921 20.116,922 135.499,923 109.326,924 12.271,925 13.67,926 188.338,928 200.109,929 212.672,930 69.458,931 5.807,933 200.109,934 69.458,937 50.125,938 129.098,939 39.256,941 200.109,942 138.486,943 149.451,945 5.807,946 200.109,947 21.532,948 123.275,949 34.416,950 102.906,951 200.109,952 138.486,953 149.451,955 0.587,956 0.324,957 0.17,958 0.095,959 23,960 10,961 0.115,962 6,963 1,964 1.095,965 4.185,966 264.749,967 0.095,968 21,969 137.207,973 1,974 20.081,975 8.267,976 4.698,977 0.566,978 137.322,979 21.326,980 8.428,984 2.747,986 34.416,987 488.046,988 47,991 -3.673,993 36.648,997 -0.257,999 49.753,1000 54.946,1001 0.312,1002 0.641,1003 0.786,1004 0.91,1005 0.939,1006 0.939,1007 5.103,1008 1.52,1009 5.938,1010 4.386,1011 4.554,1012 5.223,1013 2.027,1014 6.77,1015 4.478,1016 6.355,1017 1.498,1018 7.515,1019 4.34,1020 4.29,1021 5.263,1022 1.593,1023 7.915,1024 4.133,1025 7.703,1026 1.247,1027 9.204,1028 3.571,1029 6.213,1030 7.561,1031 2.912,1032 10.932,1033 6.026,1034 9.094,1035 1.087,1036 10.965,1037 3.129,1038 6.758,1039 8.418,1040 3.032,1041 12.932,1042 6.459,1043 10.519,1044 1,1045 12.774,1046 2.503,1047 8.202,1048 10.237,1049 4.038,1050 15.552,1051 7.869,1052 11.971,1053 0.586,1054 14.619,1055 2.136,1056 9.105,1057 11.46,1058 4.409,1059 17.87,1060 8.653,1061 13.443,1062 0.41,1063 16.491,1064 1.376,1065 10.375,1066 13.098,1067 5.251,1068 20.392,1069 9.872,1070 3.385,1071 -0.229,1072 18.384,1073 1.081,1074 11.438,1075 14.488,1076 5.75,1077 22.828,1078 10.821,1079 3.052,1080 12.435,1081 20.294,1082 -0.631,1083 12.648,1084 16.055,1085 6.501,1086 25.332,1087 11.963,1088 2.725,1089 9.781,1090 22.216,1091 4.705,1092 13.783,1093 17.52,1094 7.068,1095 27.814,1096 12.99,1097 2.501,1098 8.805,1099 24.15,1100 4.449,1101 14.977,1102 19.061,1103 7.771,1104 30.319,1105 14.103,1106 2.314,1107 6.964,1108 26.092,1109 3.692,1110 16.145,1111 20.562,1112 8.374,1113 32.82,1114 15.169,1115 1.903,1116 6.626,1117 28.042,1118 3.44,1119 17.338,1120 22.095,1121 9.051,1122 35.33,1123 16.273,1124 1.696,1125 5.388,1126 29.997,1127 2.992,1128 18.523,1129 23.611,1130 9.674,1131 37.84,1132 17.359,1133 11973,1134 21182,1135 21.959,1136 34.37,1137 50.183,1138 51.158,1139 50.389,1140 49.878,1141 49.851,1142 69.878,1143 5.155,1144 145.039,1145 48.19,1146 5.72,1147 6.685,1148 7.1,1149 5.37,1150 5.385,1151 7.705,1152 3.306,1153 19.72,1154 5.093,1155 14.524,1156 1.521,1157 1.55,1158 1.527,1159 1.511,1160 1.511,1161 2.118,1162 0.156,1163 4.395,1164 1.46,1165 4.146,1166 4.181,1167 4.735,1168 4.093,1169 7.717,1170 4.041,1171 4.023,1172 4.029,1173 4.08,1174 3.889,1175 7.43,1176 3.88,1177 3.887,1178 3.913,1179 3.821,1180 3.831,1181 6.999,1182 3.817,1183 3.653,1184 3.665,1185 3.704,1186 3.544,1187 5.152,1188 3.498,1189 3.55,1190 3.585,1191 3.477,1192 3.336,1193 4.757,1194 3.354,1195 3.242,1196 3.302,1197 3.161,1198 3.07,1199 4.696,1200 3.085,1201 3.125,1202 3.17,1203 3.011,1204 2.988,1205 4.293,1206 2.967,1207 2.922,1208 2.987,1209 2.81,1210 2.786,1211 3.998,1212 2.783,1213 0.147,1214 0.142,1215 0.221,1216 0.13,1217 0.103,1218 4.851,1219 0.143,1220 4.685,1221 0.058,1222 7.298,1223 0.377,1224 4.305,1225 0.094,1226 3.385,1227 4.705,1228 1.907,1229 12.435,1230 3.093,1231 2.018,1232 2.013,1233 2.064,1234 2.106,1235 1.242,1236 2.116,1237 1.911,1238 1.882,1239 2.036,1240 2.011,1241 1.148,1242 2.023,1243 1.802,1244 1.786,1245 1.85,1246 1.92,1247 0.992,1248 1.935,1249 1.521,1250 1.478,1251 1.734,1252 1.805,1253 0.732,1254 1.775,1255 1.466,1256 1.459,1257 1.527,1258 1.642,1259 0.723,1260 1.67,1261 1.18,1262 1.11,1263 1.339,1264 1.457,1265 0.451,1266 1.437,1267 1.102,1268 1.06,1269 1.181,1270 1.274,1271 0.306,1272 1.314,1273 0.954,1274 0.901,1275 1.149,1276 1.138,1277 0.218,1278 1.136,1279 4.205,1281 5.541,1282 2.398,1283 7.06,1284 4.727,1285 8.66,1286 6.823,1287 10.302,1289 1.384,1295 0.213,1296 5.166,1305 33.126,1306 85.807,1307 176.438,1308 216.312,1309 250.366,1310 258.366,1311 258.366,1312 57.901,1313 7.81,1314 105.46,1315 113.84,1316 23,1317 12.616,1318 4.7,1319 3.907,1320 47.183,1321 132,1322 132,1323 0.173,1324 207.526,1325 349.66,1326 498.123,1327 28470,1329 21.14,1330 0.705,1331 0.564,1332 21.39,1333 16.926,1334 14.404,1335 0.436,1336 0.323,1337 9.188,1338 13.085,1339 8.845,1340 7.36,1341 15.225,1342 10.67,1343 13.715,1344 0.292,1345 0.18,1346 15.039,1347 8.442,1348 10.666,1349 0.181,1350 0.098,1351 11.744,1352 5.805,1353 8.823,1354 0.116,1355 0.053,1356 9.695,1357 4.028,1358 7.177,1359 0.075,1360 0.03,1361 8.087,1362 2.877,1363 0.275,1364 98.438,1365 0.213,1366 28.646,1367 0.462,1368 160,1369 509.668,1370 213.587,1371 516.54,1372 701.82,1373 476,1374 186,1375 495.765,1376 245.908,1377 536.645,1378 777.72,1379 503,1380 4}
{0 CHEMBL2064491,1 1.493,2 10.72,3 3.683,4 13.567,5 97.733,6 8.01,7 0.786,8 3.829,9 3.943,10 3.473,11 3.439,12 5.002,13 3.426,14 4.297,15 4.445,16 3.828,17 3.807,18 5.488,19 3.776,20 4.502,21 4.688,22 3.788,23 3.897,24 5.601,25 3.837,26 4.485,27 4.689,28 3.727,29 3.852,30 5.581,31 3.771,32 4.455,33 4.673,34 3.661,35 3.796,36 5.49,37 3.72,38 4.408,39 4.624,40 3.568,41 3.753,42 5.426,43 3.662,44 4.314,45 4.525,46 3.449,47 3.617,48 5.386,49 3.528,50 4.209,51 4.456,52 3.245,53 3.433,54 5.18,55 3.332,56 0.037,57 0.608,58 6.947,59 3.327,60 5.312,61 4.136,62 0.176,63 0.975,64 12.347,65 5.529,66 16.441,67 7.12,68 0.205,69 1.133,70 17.323,71 6.872,72 31.976,73 8.659,74 0.193,75 1.106,76 17.338,77 7.105,78 30.424,79 9.617,80 0.2,81 1.082,82 17.429,83 6.616,84 22.979,85 8.877,86 0.111,87 1.006,88 16.541,89 6.748,90 19.019,91 9.064,92 0.115,93 0.902,94 15.182,95 6.121,96 25.055,97 8.031,98 0.127,99 0.822,100 14.711,101 5.439,102 21.26,103 7.435,104 7,105 39,106 0.257,107 0.528,108 0.64,109 0.778,110 0.844,111 0.869,112 3.267,113 0.856,114 -5.5,115 -5.38,116 -5.02,119 48.8,120 1,142 11,143 4,150 1,151 1,158 1,161 1,166 1,172 16,174 2,175 4,178 3,180 1,183 20,187 5,190 1,195 19,198 2,199 7,204 1,207 16,211 1,212 6,217 2,220 14,224 7,229 1,232 11,237 8,242 2,245 8,250 7,255 2,258 4,263 7,268 2,271 3,275 897,276 17.102,277 17.102,278 17.102,279 17.102,280 17.102,281 14.436,282 6.839,283 10.233,284 17.281,285 13.897,286 13.897,287 13.897,288 13.897,289 13.897,290 9.904,291 9.759,292 4.932,293 14.212,294 3.864,295 2.288,296 1.638,297 0.838,298 0.457,299 0.311,300 3.968,303 1,304 1,305 1,306 587,307 2.739,310 55.415,311 215.171,314 97.507,318 1.731,319 14.939,321 1,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 53,331 268,332 4.519,333 3.536,334 6.357,335 4.036,336 3.072,337 4.454,338 1.907,339 9.84,340 2.992,341 4.29,342 3.066,343 6.195,344 3.877,345 2.901,346 3.959,347 0.149,348 9.288,349 2.811,350 3.986,351 2.898,352 5.965,353 3.613,354 2.629,355 3.515,357 8.483,358 2.574,359 3.652,360 2.621,361 5.256,362 3.283,363 2.305,364 2.983,366 6.611,367 2.25,368 3.398,369 2.129,370 4.632,371 2.916,372 1.917,373 2.755,375 4.95,376 1.912,377 3.175,378 1.875,379 4.424,380 2.703,381 1.724,382 2.394,384 4.385,385 1.673,386 3.023,387 1.529,388 4.367,389 2.493,390 1.528,391 2.277,393 4.305,394 1.476,395 2.923,396 1.475,397 4.153,398 2.439,399 1.453,400 2.105,402 3.635,403 1.424,404 2.612,405 1.13,406 3.527,407 2.116,408 1.121,409 1.665,411 2.693,412 1.114,413 2.5,414 1,415 3.429,416 2,417 1,418 1.5,420 2.382,421 1,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.903,431 0.589,432 3.162,433 1.375,434 0.411,435 0.611,436 1.081,437 0.395,438 1.107,439 0.41,440 2.656,441 0.726,442 -0.229,443 -0.277,445 -0.63,446 -0.217,447 0.935,448 -0.019,449 2.511,450 0.521,451 -0.473,452 -0.641,454 -1.137,455 -0.468,456 0.824,457 -0.462,458 2.402,459 0.393,460 -0.586,461 -0.784,463 -1.597,464 -0.571,465 11.933,466 0.477,467 0.571,468 0.023,469 38,470 1.52,471 22,472 0.88,473 16,474 0.64,475 15.196,476 0.608,477 24.667,478 0.602,479 26.408,480 1.056,481 7.669,482 0.307,483 4.517,484 0.181,485 0.07,487 0.327,493 0.663,494 1.097,495 0.703,496 0.918,497 0.603,498 0.832,499 0.488,500 0.979,501 0.774,502 0.972,503 0.506,504 0.925,505 1.225,506 0.953,507 1.07,508 0.928,509 1.272,510 0.972,511 0.585,512 1.077,513 0.951,514 1.057,515 0.465,516 1.051,517 0.861,518 0.923,519 0.994,520 0.912,521 0.684,522 0.947,523 0.779,524 1.001,525 0.996,526 1.045,527 0.571,528 1.043,529 1.044,530 1.12,531 1.068,532 1.126,533 1.135,534 1.11,535 0.944,536 1.052,537 1.009,538 1,539 0.783,540 1.005,541 5,542 0.09,543 2.222,544 1.542,545 0.827,546 0.962,547 0.414,548 0.244,549 0.193,550 0.136,551 7571,552 20380,553 2.154,554 39,556 11,557 1,559 1,560 3,564 1.678,565 2.055,566 3.418,567 -0.356,569 1,573 61.221,574 1.493,575 3.069,576 3.719,577 4.519,578 4.9,579 5.046,580 2.923,581 4.244,582 4.612,583 3.546,584 1063.93,585 7.969,586 12837.3,587 1,588 1,590 1,591 219.66,592 1.26,593 4.592,594 0.179,595 0.006,596 0.057,597 0.042,598 0.024,599 0.03,600 0.014,601 0.01,602 0.01,603 0.008,604 0.379,605 0.5,606 0.88,607 0.849,608 120.934,609 0.055,610 -0.027,611 0.055,612 -0.007,613 -0.079,614 0.015,615 0.338,616 0.08,617 0.057,618 -0.051,619 0.138,620 -0.047,621 -0.181,622 0.057,623 -0.147,624 0.023,625 -0.211,626 -0.046,627 0.169,628 -0.094,629 -0.017,630 -0.085,631 0.159,632 -0.079,633 -0.017,634 0.088,635 -0.033,636 0.048,637 -0.036,638 0.019,639 -0.045,640 -0.042,641 -0.04,642 -0.055,643 0.056,644 -0.045,645 -0.087,646 -0.175,647 -0.092,648 -0.137,649 -0.094,650 -0.122,651 -0.062,652 -0.088,653 0.023,654 -0.012,655 -0.033,656 0.013,657 1.855,658 4.15,659 0.84,660 22.966,661 1.001,662 1.114,663 4.273,664 18.259,665 0.708,666 3.367,667 3.689,668 3.951,669 4.248,670 4.477,671 4.564,672 4.754,673 4.86,674 4.942,675 5.043,676 6.251,677 0.682,678 328.4,679 3.367,680 4.905,681 5.753,682 6.632,683 7.498,684 8.384,685 9.259,686 10.146,687 11.026,688 11.915,689 9.8,696 1,697 1,699 2,703 1,704 12,705 2,709 5,711 22,731 41,733 23,734 2,735 28,737 44,738 20,739 18,740 3,741 9,746 4,747 5,752 1,761 19,762 1,766 1,771 1,775 1,777 1,778 1,781 16,782 4,783 1,784 5,790 4,794 0.75,795 1,805 1,811 1,812 3,815 1,826 1,840 3,844 1,848 25,855 1,867 1,870 2.4,873 1,877 12.167,878 7.767,879 5.417,880 2.376,881 4.282,882 1.567,883 1.035,884 3.945,885 11.832,886 3.714,887 4.36,888 4.979,889 5.641,890 6.219,891 6.577,892 7.121,893 7.576,894 7.93,895 8.373,896 1,897 37,898 9.165,900 3.879,901 7.707,902 17.487,904 14.247,905 2.207,906 55.167,909 1,910 176.567,911 143.173,912 52.623,914 25.145,917 143.173,918 201.711,919 52.623,920 8.825,921 18.011,922 113.286,923 65.013,924 13.906,925 13.67,926 164.795,928 176.567,929 195.796,930 25.145,933 176.567,934 25.145,937 31.614,938 130.733,939 33.449,941 176.567,942 77.768,943 143.173,946 176.567,947 21.061,948 123.275,949 18.011,950 58.593,951 176.567,952 77.768,953 143.173,955 0.578,956 0.324,957 0.184,958 0.102,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.798,966 209.596,967 0.095,968 21,969 112.096,974 15.401,975 6.404,976 3.243,977 0.687,978 76.604,979 24.457,980 8.566,984 4.78,986 18.011,987 397.507,988 40,993 11.15,997 -0.188,999 41.036,1000 45.694,1001 0.279,1002 0.573,1003 0.694,1004 0.844,1005 0.915,1006 0.942,1007 4.924,1008 1.453,1009 5.727,1010 4.305,1011 4.369,1012 5.047,1013 1.953,1014 6.518,1015 4.324,1016 6.145,1017 1.121,1018 7.265,1019 3.635,1020 3.892,1021 4.796,1022 1.593,1023 7.334,1024 3.819,1025 7.45,1026 1,1027 8.9,1028 2.693,1029 5.938,1030 7.294,1031 2.904,1032 10.432,1033 5.838,1034 8.792,1035 1,1036 10.593,1037 2.382,1038 6.275,1039 7.882,1040 3.032,1041 12.08,1042 6.142,1043 10.164,1044 0.411,1045 12.323,1046 2.136,1047 7.784,1048 9.829,1049 4.037,1050 14.658,1051 7.629,1052 11.558,1053 -0.229,1054 14.079,1055 1.081,1056 8.511,1057 10.844,1058 4.409,1059 16.652,1060 8.321,1061 12.971,1062 -0.473,1063 15.853,1064 -0.63,1065 9.785,1066 12.537,1067 5.25,1068 19.034,1069 9.574,1070 3.072,1071 -0.586,1072 17.641,1073 -1.137,1074 10.705,1075 13.777,1076 5.75,1077 21.175,1078 10.458,1079 2.901,1080 9.84,1081 19.438,1082 -1.597,1083 11.875,1084 15.349,1085 6.501,1086 23.482,1087 11.606,1088 2.629,1089 9.288,1090 21.242,1091 4.454,1092 12.887,1093 16.707,1094 7.068,1095 25.688,1096 12.585,1097 2.305,1098 8.483,1099 23.052,1100 3.959,1101 14.013,1102 18.224,1103 7.771,1104 27.966,1105 13.687,1106 1.917,1107 6.611,1108 24.866,1109 3.515,1110 15.07,1111 19.641,1112 8.374,1113 30.202,1114 14.713,1115 1.724,1116 4.95,1117 26.684,1118 2.983,1119 16.179,1120 21.135,1121 9.051,1122 32.469,1123 15.796,1124 1.528,1125 4.385,1126 28.505,1127 2.755,1128 17.259,1129 22.584,1130 9.674,1131 34.72,1132 16.847,1133 7153,1134 11882,1135 19.186,1136 29.046,1137 42.678,1138 42.909,1139 42.573,1140 42.131,1141 42.123,1142 59.436,1143 4.112,1144 119.576,1145 41.243,1146 5.255,1147 5.536,1148 6.159,1149 5.083,1150 5.072,1151 7.454,1152 3.306,1153 16.408,1154 4.992,1155 9.441,1156 1.524,1157 1.532,1158 1.52,1159 1.505,1160 1.504,1161 2.123,1162 0.147,1163 4.271,1164 1.473,1165 4.124,1166 4.174,1167 4.097,1168 4.015,1169 7.43,1170 4.022,1171 3.959,1172 3.992,1173 3.911,1174 3.853,1175 5.153,1176 3.867,1177 3.74,1178 3.776,1179 3.671,1180 3.655,1181 4.832,1182 3.656,1183 3.566,1184 3.613,1185 3.481,1186 3.345,1187 4.619,1188 3.371,1189 3.253,1190 3.309,1191 3.178,1192 3.086,1193 4.293,1194 3.104,1195 2.954,1196 3.006,1197 2.85,1198 2.866,1199 3.902,1200 2.855,1201 2.915,1202 2.98,1203 2.795,1204 2.784,1205 3.855,1206 2.779,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.73,1212 2.715,1213 0.161,1214 0.126,1215 0.227,1216 0.144,1217 0.11,1218 4.519,1219 0.159,1220 3.536,1221 0.068,1222 6.357,1223 0.351,1224 4.036,1225 0.107,1226 3.072,1227 4.454,1228 1.907,1229 9.84,1230 2.992,1231 2.025,1232 2.003,1233 2.112,1234 2.108,1235 1.234,1236 2.106,1237 1.877,1238 1.844,1239 1.979,1240 1.992,1241 1.066,1242 1.991,1243 1.689,1244 1.652,1245 1.818,1246 1.806,1247 0.881,1248 1.812,1249 1.52,1250 1.464,1251 1.734,1252 1.8,1253 0.732,1254 1.775,1255 1.181,1256 1.111,1257 1.339,1258 1.457,1259 0.326,1260 1.437,1261 0.995,1262 0.951,1263 1.189,1264 1.15,1265 0.279,1266 1.145,1267 0.941,1268 0.886,1269 1.181,1270 1.094,1271 0.218,1272 1.126,1273 0.886,1274 0.821,1275 1.133,1276 1.062,1277 0.205,1278 1.107,1279 4.043,1281 5.361,1282 2.398,1283 6.87,1284 4.727,1285 8.464,1286 6.823,1287 10.103,1289 1.437,1296 2.602,1305 27.961,1306 61.221,1307 125.831,1308 152.486,1309 185.295,1310 200.905,1311 206.905,1312 28.935,1313 7.55,1314 59.29,1315 59.29,1316 23,1317 12.447,1318 4.585,1319 3.7,1320 36.01,1321 93,1322 91,1323 0.19,1324 172.016,1325 285.27,1326 411.478,1327 19561,1329 17.225,1330 0.689,1331 0.547,1332 17.225,1333 13.678,1334 12.187,1335 0.435,1336 0.285,1337 7.906,1338 11.829,1339 7.7,1340 6.423,1341 12.187,1342 7.988,1343 11.145,1344 0.286,1345 0.148,1346 11.145,1347 5.784,1348 8.996,1349 0.176,1350 0.077,1351 8.996,1352 3.922,1353 7.93,1354 0.115,1355 0.04,1356 7.93,1357 2.773,1358 6.413,1359 0.074,1360 0.022,1361 6.413,1362 1.877,1363 0.299,1364 75.497,1365 0.228,1366 24.338,1367 0.52,1368 134,1369 373.004,1370 145.012,1371 371.085,1372 519.74,1373 348,1374 157,1375 399.225,1376 167.682,1377 405.88,1378 590.22,1379 383,1380 4.7}
{0 CHEMBL2064492,1 1.648,2 8.421,3 1.014,4 1.029,5 70.44,6 8.443,7 0.762,8 3.545,9 3.667,10 3.224,11 3.069,12 4.776,13 3.089,14 4.002,15 4.165,16 3.569,17 3.407,18 5.268,19 3.414,20 4.142,21 4.329,22 3.475,23 3.449,24 5.332,25 3.43,26 4.087,27 4.298,28 3.385,29 3.35,30 5.285,31 3.31,32 3.995,33 4.223,34 3.254,35 3.205,36 5.134,37 3.181,38 3.874,39 4.097,40 3.096,41 3.115,42 5.011,43 3.069,44 3.697,45 3.905,46 2.877,47 2.891,48 4.918,49 2.845,50 3.471,51 3.729,52 2.443,53 2.597,54 4.498,55 2.499,56 0.072,57 0.509,58 4.648,59 2.191,60 4.436,61 2.631,62 0.225,63 0.768,64 8.763,65 3.508,66 15.053,67 4.447,68 0.281,69 0.811,70 11.476,71 3.943,72 32.107,73 4.759,74 0.248,75 0.755,76 11.292,77 3.951,78 25.721,79 5.435,80 0.278,81 0.683,82 10.822,83 3.117,84 19.195,85 4.204,86 0.184,87 0.591,88 9.471,89 3.221,90 14.364,91 4.298,92 0.173,93 0.47,94 7.934,95 2.786,96 20.774,97 3.518,98 0.149,99 0.352,100 7.27,101 2.39,102 16.314,103 3.302,104 7,105 29,106 0.308,107 0.677,108 0.812,109 0.874,110 0.886,111 0.886,112 3.01,113 0.824,114 -3.24,115 -3.23,116 -3.1,119 43.3,120 1,142 4,143 2,145 2,150 1,151 1,158 1,161 1,166 1,172 5,174 2,175 6,178 3,180 1,183 4,187 7,190 1,195 3,198 2,199 7,204 1,207 2,211 2,212 5,217 2,220 1,223 1,224 3,229 1,232 1,236 1,237 3,242 1,245 2,250 1,253 1,255 1,258 1,263 1,271 1,275 380,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 10.873,282 6.839,283 7.751,284 13.122,285 10.426,286 10.426,287 10.426,288 10.426,289 10.426,290 7.427,291 9.759,292 3.748,293 10.835,294 3.259,295 1.28,296 0.558,297 0.225,298 0.158,299 0.158,300 3.691,304 1,305 1,306 344,307 2.55,310 38.851,311 101.692,314 70.173,318 1.496,319 14.993,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 41.5,331 160,332 4.513,333 3.536,334 6.336,335 4.009,336 3.058,337 4.452,338 1.907,339 9.778,340 2.927,341 4.116,342 3.051,343 6.044,344 3.711,345 2.74,346 3.71,347 0.149,348 8.769,349 2.639,350 3.661,351 2.733,352 5.257,353 3.291,354 2.316,355 2.98,357 6.614,358 2.254,359 3.343,360 2.141,361 4.529,362 2.845,363 1.866,364 2.662,366 4.678,367 1.818,368 3.124,369 1.773,370 4.393,371 2.633,372 1.667,373 2.356,375 4.384,376 1.598,377 3.003,378 1.521,379 4.312,380 2.47,381 1.512,382 2.225,384 4.09,385 1.443,386 2.631,387 1.153,388 3.508,389 2.117,390 1.142,391 1.694,393 2.688,394 1.112,395 2.5,396 1,397 3.247,398 1.956,399 1,400 1.5,402 2.136,403 0.953,404 1.902,405 0.589,406 3.154,407 1.374,408 0.41,409 0.61,411 1.075,412 0.394,413 1.106,414 0.409,415 2.598,416 0.725,417 -0.23,418 -0.277,420 -0.628,421 -0.217,422 0.868,423 -0.019,424 2.474,425 0.415,426 -0.54,427 -0.724,428 -1.353,429 -0.513,430 0.62,431 -0.513,432 2.174,433 0.11,434 -0.879,435 -1.23,436 -2,437 -0.85,438 0.5,439 -0.833,440 1.701,441 0.078,442 -1,443 -1.411,445 -2.347,446 -0.948,447 0.5,448 -1,449 1.64,450 -0.023,451 -1,452 -1.5,454 -2.355,455 -0.977,456 0.376,457 -1,458 1.555,459 -0.05,460 -1,461 -1.5,463 -2.768,464 -1.092,465 8.833,466 0.465,467 0.452,468 0.024,469 29,470 1.526,471 16,472 0.842,473 13,474 0.684,475 10.148,476 0.534,477 19.367,478 0.646,479 18.227,480 0.959,481 5.877,482 0.309,483 3.343,484 0.176,485 0.094,487 0.328,493 0.718,494 1.336,495 0.658,496 1.04,497 0.591,498 0.87,499 0.605,500 1.027,501 0.721,502 0.945,503 0.537,504 0.871,505 1.365,506 1.032,507 1.132,508 0.922,509 1.413,510 0.974,511 0.693,512 1.192,513 0.932,514 1.087,515 0.489,516 1.055,517 1.074,518 0.9,519 1.068,520 0.817,521 0.827,522 0.89,523 0.953,524 0.97,525 1.031,526 1.017,527 0.681,528 1.022,529 1.271,530 1.073,531 1.159,532 1.171,533 1.51,534 1.164,535 0.946,536 0.793,537 1.071,538 0.992,539 1.039,540 1.051,541 4,542 0.037,543 1.556,544 1.292,545 0.604,546 0.657,547 0.293,548 0.191,549 0.086,550 0.066,551 3340,552 10364,553 2.113,554 36.7,556 4,557 1,558 2,559 1,560 3,564 1.6,565 2,566 3.091,567 -0.198,569 1,571 1,573 49.438,574 1.648,575 3.627,576 4.348,577 4.682,578 4.748,579 4.748,580 2.576,581 3.827,582 4.215,583 3.203,584 547.787,585 7.17,586 5313.33,587 1,588 1,591 147.207,592 1.324,593 4.189,594 0.19,595 0.007,596 0.054,597 0.05,598 0.026,599 0.033,600 0.017,601 0.015,602 0.011,603 0.009,604 0.412,605 0.67,606 1,607 1.013,608 82.353,609 -0.005,610 -0.196,611 0.055,612 -0.097,613 -0.078,614 -0.029,615 0.242,616 0.071,617 0.1,618 -0.02,619 0.12,620 -0.003,621 -0.305,622 -0.012,623 -0.227,624 0.017,625 -0.301,626 -0.074,627 0.127,628 -0.209,629 0.01,630 -0.127,631 0.181,632 -0.089,633 -0.105,634 0.122,635 -0.09,636 0.084,637 -0.097,638 0.029,639 -0.088,640 -0.001,641 -0.061,642 -0.054,643 0.064,644 -0.044,645 -0.145,646 -0.15,647 -0.166,648 -0.196,649 -0.162,650 -0.193,651 -0.007,652 0.062,653 0.022,654 0.021,655 -0.057,656 0.024,657 1.858,658 3.97,659 0.789,660 14.632,661 1.016,662 1.132,663 2.013,664 4.054,665 0.692,666 3.091,667 3.401,668 3.638,669 3.932,670 4.127,671 4.205,672 4.369,673 4.431,674 4.407,675 4.394,676 5.02,677 0.68,678 253.29,679 3.091,680 4.615,681 5.451,682 6.326,683 7.185,684 8.067,685 8.937,686 9.823,687 10.699,688 11.586,689 16.7,696 1,697 1,699 3,703 1,704 7,705 3,709 3,711 16,731 30,733 17,735 21,737 32,738 13,739 11,746 3,747 4,752 1,761 12,762 1,766 1,771 1,775 1,778 1,781 11,782 5,783 1,784 6,790 5,794 0.667,795 1,805 2,811 1,812 2,815 1,826 1,840 2,844 1,848 19,855 1,867 1,870 3.3,873 1,877 9.5,878 5.8,879 4.139,880 1.669,881 3.17,882 1.476,883 1.01,884 2.879,885 9.824,886 3.434,887 4.073,888 4.674,889 5.34,890 5.892,891 6.256,892 6.781,893 7.206,894 7.434,895 7.773,896 0.833,897 26,898 6.936,900 2.903,901 7.86,902 12.979,904 10.273,905 2.36,906 44.833,907 0.001,910 117.711,911 88.563,912 69.409,914 25.145,917 88.563,918 142.856,919 69.409,920 8.825,921 18.011,922 46.952,923 105.341,924 25.63,925 13.67,926 82.398,928 117.711,929 157.971,930 25.145,933 117.711,934 25.145,937 49.709,938 58.028,939 50.234,941 117.711,942 94.554,943 88.563,946 117.711,947 14.69,948 75.036,949 18.011,950 75.379,951 117.711,952 94.554,953 88.563,955 0.576,956 0.315,957 0.179,958 0.098,959 15,960 6,961 0.063,962 2,963 1,964 1.133,965 3.215,966 139.224,967 0.133,968 15,969 78.711,974 11.662,975 4.69,976 2.404,977 0.677,978 93.39,979 13.006,980 12.468,984 2.289,986 18.011,987 300.827,988 30,993 10.97,997 -0.191,999 30.487,1000 33.947,1001 0.336,1002 0.739,1003 0.886,1004 0.954,1005 0.968,1006 0.968,1007 4.635,1008 1,1009 5.425,1010 2.688,1011 4.078,1012 4.758,1013 1.953,1014 6.205,1015 4.002,1016 5.855,1017 0.41,1018 6.956,1019 2.136,1020 3.611,1021 4.543,1022 1.593,1023 7.002,1024 3.514,1025 7.16,1026 -0.23,1027 8.584,1028 1.075,1029 5.631,1030 7.011,1031 2.904,1032 10.094,1033 5.474,1034 8.502,1035 -0.54,1036 10.269,1037 -0.628,1038 5.969,1039 7.638,1040 3.032,1041 11.732,1042 5.781,1043 9.873,1044 -0.879,1045 11.992,1046 -1.353,1047 7.468,1048 9.567,1049 4.037,1050 14.308,1051 7.227,1052 11.269,1053 -1,1054 13.742,1055 -2,1056 8.196,1057 10.621,1058 4.409,1059 16.299,1060 7.917,1061 12.682,1062 -1,1063 15.51,1064 -2.347,1065 9.466,1066 12.306,1067 5.25,1068 18.681,1069 9.14,1070 3.058,1071 -1,1072 17.293,1073 -2.355,1074 10.388,1075 13.58,1076 5.75,1077 20.824,1078 10.018,1079 2.74,1080 9.778,1081 19.086,1082 -2.768,1083 11.557,1084 15.152,1085 6.501,1086 23.131,1087 11.143,1088 2.316,1089 8.769,1090 20.887,1091 4.452,1092 12.572,1093 16.536,1094 7.068,1095 25.34,1096 12.112,1097 1.866,1098 6.614,1099 22.695,1100 3.71,1101 13.698,1102 18.058,1103 7.771,1104 27.618,1105 13.195,1106 1.667,1107 4.678,1108 24.507,1109 2.98,1110 14.759,1111 19.495,1112 8.374,1113 29.857,1114 14.21,1115 1.512,1116 4.384,1117 26.324,1118 2.662,1119 15.869,1120 20.996,1121 9.051,1122 32.126,1123 15.276,1124 1.142,1125 4.09,1126 28.143,1127 2.356,1128 16.952,1129 22.46,1130 9.674,1131 34.38,1132 16.313,1133 3271,1134 5868,1135 14.216,1136 20.767,1137 31.873,1138 32.116,1139 31.845,1140 31.41,1141 31.423,1142 44.378,1143 4.112,1144 88.424,1145 30.277,1146 5.249,1147 5.536,1148 6.138,1149 5.055,1150 5.058,1151 7.452,1152 3.306,1153 16.241,1154 4.88,1155 7.672,1156 1.518,1157 1.529,1158 1.516,1159 1.496,1160 1.496,1161 2.113,1162 0.196,1163 4.211,1164 1.442,1165 4.111,1166 4.167,1167 4.087,1168 3.956,1169 7.43,1170 3.978,1171 3.82,1172 3.868,1173 3.77,1174 3.673,1175 5.155,1176 3.694,1177 3.569,1178 3.617,1179 3.485,1180 3.342,1181 4.889,1182 3.369,1183 3.247,1184 3.306,1185 3.17,1186 3.069,1187 4.327,1188 3.088,1189 2.923,1190 2.988,1191 2.812,1192 2.786,1193 3.904,1194 2.783,1195 2.783,1196 2.874,1197 2.634,1198 2.59,1199 3.871,1200 2.591,1201 2.728,1202 2.828,1203 2.582,1204 2.476,1205 3.793,1206 2.491,1207 2.555,1208 2.642,1209 2.345,1210 2.3,1211 3.562,1212 2.303,1213 0.215,1214 0.168,1215 0.302,1216 0.191,1217 0.146,1218 4.513,1219 0.212,1220 3.536,1221 0.091,1222 6.336,1223 0.466,1224 4.009,1225 0.139,1226 3.058,1227 4.452,1228 1.907,1229 9.778,1230 2.927,1231 1.96,1232 1.927,1233 2.041,1234 2.089,1235 1.141,1236 2.075,1237 1.701,1238 1.655,1239 1.817,1240 1.866,1241 0.842,1242 1.855,1243 1.52,1244 1.464,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.18,1250 1.108,1251 1.339,1252 1.457,1253 0.31,1254 1.437,1255 0.957,1256 0.903,1257 1.139,1258 1.143,1259 0.205,1260 1.137,1261 0.787,1262 0.702,1263 1.061,1264 1.042,1265 0.079,1266 1.068,1267 0.718,1268 0.635,1269 0.985,1270 0.975,1272 0.988,1273 0.529,1274 0.451,1275 0.823,1276 0.805,1278 0.808,1279 3.761,1281 5.069,1282 2.398,1283 6.564,1284 4.727,1285 8.145,1286 6.823,1287 9.774,1289 1.423,1296 2.559,1305 20.402,1306 49.438,1307 108.8,1308 130.452,1309 140.452,1310 142.452,1311 142.452,1312 20.656,1313 6.654,1314 72.18,1315 72.18,1316 17,1317 12.119,1318 4.17,1319 3.322,1320 27.883,1321 58,1322 51,1323 0.25,1324 127.839,1325 206.35,1326 303.688,1327 5886,1329 13.242,1330 0.697,1331 0.539,1332 13.242,1333 10.239,1334 9.22,1335 0.439,1336 0.275,1337 5.667,1338 8.788,1339 5.53,1340 4.616,1341 9.22,1342 5.767,1343 8.458,1344 0.292,1345 0.141,1346 8.458,1347 4.079,1348 6.574,1349 0.178,1350 0.071,1351 6.574,1352 2.614,1353 5.807,1354 0.116,1355 0.036,1356 5.807,1357 1.798,1358 4.539,1359 0.074,1360 0.019,1361 4.539,1362 1.147,1363 0.384,1364 58.199,1365 0.265,1366 19.005,1367 0.702,1368 100,1369 324.649,1370 112.4,1371 316.743,1372 436.36,1373 296,1374 116,1375 331.338,1376 128.181,1377 333.258,1378 482.14,1379 313,1380 4.8}
{0 CHEMBL2064493,1 1.694,2 8.421,3 0.386,4 0.149,5 69.293,6 8.768,7 0.762,8 3.526,9 3.651,10 3.234,11 3.015,12 4.793,13 3.054,14 3.979,15 4.149,16 3.575,17 3.35,18 5.282,19 3.378,20 4.085,21 4.259,22 3.479,23 3.395,24 5.317,25 3.394,26 4.063,27 4.277,28 3.391,29 3.29,30 5.292,31 3.27,32 3.955,33 4.186,34 3.263,35 3.129,36 5.139,37 3.132,38 3.803,39 4.016,40 3.104,41 3.038,42 5.009,43 3.017,44 3.632,45 3.83,46 2.887,47 2.812,48 4.911,49 2.787,50 3.412,51 3.67,52 2.444,53 2.531,54 4.474,55 2.445,56 0.096,57 0.515,58 4.083,59 1.951,60 4.212,61 2.275,62 0.278,63 0.757,64 8.139,65 3.078,66 17.44,67 3.801,68 0.304,69 0.779,70 9.704,71 3.478,72 31.089,73 3.985,74 0.295,75 0.729,76 10.718,77 3.522,78 26.101,79 4.862,80 0.334,81 0.646,82 10.042,83 2.574,84 20.137,85 3.401,86 0.218,87 0.553,88 8.114,89 2.738,90 14.482,91 3.536,92 0.203,93 0.437,94 6.903,95 2.475,96 20.5,97 3.044,98 0.176,99 0.319,100 6.852,101 2.248,102 16.824,103 3.117,104 7,105 29,106 0.318,107 0.712,108 0.83,109 0.843,110 0.843,111 0.843,112 3.01,113 0.802,114 -3.02,115 -3.02,116 -2.92,119 41.4,120 1,142 2,143 2,145 2,148 1,150 1,151 1,158 1,161 1,166 1,172 3,174 3,175 6,178 3,180 1,183 2,187 7,190 1,195 1,198 2,199 7,204 1,211 3,212 4,217 2,223 2,224 1,229 1,232 1,236 2,237 2,245 2,250 1,253 2,258 1,275 380,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 10.873,282 6.839,283 7.751,284 13.19,285 10.426,286 10.426,287 10.426,288 10.426,289 10.426,290 7.427,291 9.759,292 3.748,293 10.935,294 3.164,295 1.07,296 0.44,297 0.371,298 0.371,299 0.371,300 3.691,304 1,305 1,306 344,307 2.55,310 38.851,311 101.692,314 70.173,318 1.496,319 16.602,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42,331 160,332 4.513,333 3.536,334 6.336,335 4.009,336 3.058,337 4.452,338 1.907,339 9.778,340 2.923,341 4.116,342 3.051,343 6.044,344 3.707,345 2.74,346 3.71,347 0.149,348 8.769,349 2.632,350 3.661,351 2.733,352 5.257,353 3.29,354 2.316,355 2.98,357 6.614,358 2.252,359 3.343,360 2.141,361 4.529,362 2.829,363 1.866,364 2.662,366 4.678,367 1.787,368 3.124,369 1.773,370 4.393,371 2.621,372 1.667,373 2.356,375 4.384,376 1.578,377 3.003,378 1.521,379 4.312,380 2.469,381 1.512,382 2.225,384 4.09,385 1.442,386 2.631,387 1.153,388 3.508,389 2.095,390 1.142,391 1.694,393 2.688,394 1.084,395 2.5,396 1,397 3.247,398 1.917,399 1,400 1.5,402 2.136,403 0.916,404 1.902,405 0.589,406 3.154,407 1.372,408 0.41,409 0.61,411 1.075,412 0.394,413 1.106,414 0.409,415 2.598,416 0.724,417 -0.23,418 -0.277,420 -0.628,421 -0.217,422 0.868,423 -0.019,424 2.474,425 0.397,426 -0.54,427 -0.724,428 -1.353,429 -0.503,430 0.62,431 -0.513,432 2.174,433 0.107,434 -0.879,435 -1.23,436 -2,437 -0.842,438 0.5,439 -0.833,440 1.701,441 0.075,442 -1,443 -1.411,445 -2.347,446 -0.94,447 0.5,448 -1,449 1.64,450 -0.049,451 -1,452 -1.5,454 -2.355,455 -0.946,456 0.376,457 -1,458 1.555,459 -0.064,460 -1,461 -1.5,463 -2.768,464 -1.092,465 8.733,466 0.46,467 0.452,468 0.024,469 29.5,470 1.553,471 16,472 0.842,473 13.5,474 0.711,475 9.924,476 0.522,477 19.467,478 0.671,479 18.451,480 0.971,481 5.955,482 0.313,483 3.266,484 0.172,485 0.095,487 0.332,493 0.76,494 1.464,495 0.63,496 1.104,497 0.595,498 0.881,499 0.663,500 0.923,501 0.711,502 0.847,503 0.568,504 0.794,505 1.348,506 1.139,507 1.146,508 1.018,509 1.437,510 1.043,511 0.742,512 1.219,513 0.922,514 1.086,515 0.507,516 1.044,517 1.137,518 0.812,519 1.097,520 0.721,521 0.884,522 0.832,523 0.952,524 0.956,525 1.051,526 1.05,527 0.726,528 1.058,529 1.196,530 1.075,531 1.144,532 1.252,533 1.529,534 1.225,535 0.797,536 0.664,537 1.002,538 0.982,539 1.007,540 1.046,541 4,542 0.037,543 1.556,544 1.292,545 0.604,546 0.657,547 0.293,548 0.191,549 0.086,550 0.066,551 3340,552 11092,553 2.113,554 34.5,556 2,557 1,558 3,559 1,560 3,564 1.6,565 2,566 3.091,567 -0.146,569 1,573 49.133,574 1.694,575 3.788,576 4.418,577 4.487,578 4.487,579 4.487,580 2.576,581 3.827,582 4.215,583 3.203,584 547.787,585 7.17,586 5313.33,588 1,591 140.881,592 1.324,593 4.189,594 0.19,595 0.007,596 0.054,597 0.05,598 0.026,599 0.033,600 0.017,601 0.015,602 0.011,603 0.009,604 0.412,605 0.67,606 1,607 1.013,608 82.353,609 -0.046,610 -0.31,611 0.054,612 -0.156,613 -0.077,614 -0.054,615 0.197,616 0.181,617 0.103,618 0.072,619 0.105,620 0.062,621 -0.334,622 -0.117,623 -0.281,624 -0.063,625 -0.332,626 -0.148,627 0.087,628 -0.255,629 0.04,630 -0.119,631 0.177,632 -0.06,633 -0.15,634 0.195,635 -0.111,636 0.158,637 -0.132,638 0.074,639 -0.074,640 0.022,641 -0.098,642 -0.091,643 0.049,644 -0.092,645 -0.081,646 -0.157,647 -0.155,648 -0.266,649 -0.159,650 -0.249,651 0.136,652 0.157,653 0.137,654 0.066,655 -0.007,656 0.086,657 1.868,658 3.961,659 0.789,660 14.632,661 1.024,662 1.139,663 1.794,664 3.22,665 0.69,666 3.091,667 3.401,668 3.638,669 3.932,670 4.127,671 4.205,672 4.369,673 4.431,674 4.407,675 4.394,676 5.02,677 0.686,678 254.28,679 3.091,680 4.615,681 5.451,682 6.326,683 7.185,684 8.067,685 8.937,686 9.823,687 10.699,688 11.586,689 20.7,696 1,697 1,699 4,703 1,704 6,705 4,709 3,711 16,731 29,733 17,735 21,737 31,738 12,739 10,746 3,747 4,752 1,761 11,762 1,766 1,771 1,775 1,778 1,781 10,782 6,783 1,784 7,790 6,794 0.667,795 1,805 1,806 1,811 1,812 2,815 1,826 1,840 2,844 1,848 19,855 1,867 1,870 3.4,873 1,877 9.5,878 5.667,879 4.139,880 1.58,881 3.17,882 1.476,883 1.005,884 2.84,885 9.824,886 3.434,887 4.073,888 4.674,889 5.34,890 5.892,891 6.256,892 6.781,893 7.206,894 7.434,895 7.773,896 0.833,897 26,898 6.92,900 2.893,901 7.912,902 12.85,904 10.09,905 2.412,906 45.833,910 105.94,911 78.229,912 86.194,914 25.145,917 78.229,918 131.085,919 86.194,920 8.825,921 18.011,922 28,923 133.898,924 34.249,925 13.67,926 58.856,928 105.94,929 164.423,930 25.145,933 105.94,934 25.145,937 58.328,938 39.076,939 67.02,941 105.94,942 111.339,943 78.229,946 105.94,947 14.69,948 64.703,949 18.011,950 92.165,951 105.94,952 111.339,953 78.229,955 0.576,956 0.315,957 0.179,958 0.098,959 15,960 6,961 0.065,962 2,963 1,964 1.133,965 3.215,966 139.224,967 0.133,968 15,969 76.711,974 11.601,975 4.652,976 2.381,977 0.657,978 110.175,979 10.458,980 16.293,984 2.099,986 18.011,987 295.508,988 30,993 10.961,997 -0.201,999 29.705,1000 33.03,1001 0.349,1002 0.78,1003 0.909,1004 0.924,1005 0.924,1006 0.924,1007 4.635,1008 1,1009 5.425,1010 2.688,1011 4.078,1012 4.758,1013 1.953,1014 6.205,1015 3.988,1016 5.855,1017 0.41,1018 6.956,1019 2.136,1020 3.611,1021 4.543,1022 1.593,1023 7.002,1024 3.514,1025 7.16,1026 -0.23,1027 8.584,1028 1.075,1029 5.631,1030 7.011,1031 2.904,1032 10.094,1033 5.455,1034 8.502,1035 -0.54,1036 10.269,1037 -0.628,1038 5.969,1039 7.638,1040 3.032,1041 11.732,1042 5.778,1043 9.873,1044 -0.879,1045 11.992,1046 -1.353,1047 7.468,1048 9.567,1049 4.037,1050 14.308,1051 7.207,1052 11.269,1053 -1,1054 13.742,1055 -2,1056 8.196,1057 10.621,1058 4.409,1059 16.299,1060 7.909,1061 12.682,1062 -1,1063 15.51,1064 -2.347,1065 9.466,1066 12.306,1067 5.25,1068 18.681,1069 9.12,1070 3.058,1071 -1,1072 17.293,1073 -2.355,1074 10.388,1075 13.58,1076 5.75,1077 20.824,1078 10.006,1079 2.74,1080 9.778,1081 19.086,1082 -2.768,1083 11.557,1084 15.152,1085 6.501,1086 23.131,1087 11.122,1088 2.316,1089 8.769,1090 20.887,1091 4.452,1092 12.572,1093 16.536,1094 7.068,1095 25.34,1096 12.096,1097 1.866,1098 6.614,1099 22.695,1100 3.71,1101 13.698,1102 18.058,1103 7.771,1104 27.618,1105 13.174,1106 1.667,1107 4.678,1108 24.507,1109 2.98,1110 14.759,1111 19.495,1112 8.374,1113 29.857,1114 14.19,1115 1.512,1116 4.384,1117 26.324,1118 2.662,1119 15.869,1120 20.996,1121 9.051,1122 32.126,1123 15.253,1124 1.142,1125 4.09,1126 28.143,1127 2.356,1128 16.952,1129 22.46,1130 9.674,1131 34.38,1132 16.291,1133 3271,1134 6066,1135 14.216,1136 20.012,1137 31.873,1138 32.116,1139 31.845,1140 31.387,1141 31.423,1142 44.378,1143 4.112,1144 88.424,1145 30.015,1146 5.249,1147 5.536,1148 6.138,1149 5.077,1150 5.058,1151 7.452,1152 3.306,1153 16.241,1154 4.873,1155 7.672,1156 1.518,1157 1.529,1158 1.516,1159 1.495,1160 1.496,1161 2.113,1162 0.196,1163 4.211,1164 1.429,1165 4.109,1166 4.165,1167 4.086,1168 3.943,1169 7.43,1170 3.968,1171 3.789,1172 3.848,1173 3.75,1174 3.598,1175 5.161,1176 3.631,1177 3.565,1178 3.614,1179 3.482,1180 3.333,1181 4.995,1182 3.36,1183 3.236,1184 3.299,1185 3.162,1186 3.037,1187 4.335,1188 3.062,1189 2.912,1190 2.981,1191 2.806,1192 2.755,1193 3.962,1194 2.759,1195 2.741,1196 2.847,1197 2.587,1198 2.495,1199 3.904,1200 2.506,1201 2.679,1202 2.776,1203 2.56,1204 2.423,1205 3.865,1206 2.442,1207 2.551,1208 2.637,1209 2.342,1210 2.297,1211 3.582,1212 2.3,1213 0.215,1214 0.168,1215 0.302,1216 0.191,1217 0.146,1218 4.513,1219 0.212,1220 3.536,1221 0.091,1222 6.336,1223 0.466,1224 4.009,1225 0.139,1226 3.058,1227 4.452,1228 1.907,1229 9.778,1230 2.923,1231 1.942,1232 1.906,1233 2.016,1234 2.086,1235 1.117,1236 2.066,1237 1.634,1238 1.579,1239 1.739,1240 1.847,1241 0.733,1242 1.816,1243 1.52,1244 1.463,1245 1.73,1246 1.805,1247 0.708,1248 1.775,1249 1.177,1250 1.103,1251 1.336,1252 1.457,1253 0.281,1254 1.437,1255 0.899,1256 0.837,1257 1.069,1258 1.127,1259 0.081,1260 1.109,1261 0.779,1262 0.694,1263 1.042,1264 1.03,1265 0.071,1266 1.051,1267 0.618,1268 0.524,1269 0.921,1270 0.912,1272 0.918,1273 0.523,1274 0.445,1275 0.821,1276 0.802,1278 0.804,1279 3.761,1281 5.069,1282 2.398,1283 6.564,1284 4.727,1285 8.145,1286 6.823,1287 9.774,1289 1.415,1296 2.547,1305 19.897,1306 49.133,1307 109.862,1308 128.127,1309 130.127,1310 130.127,1311 130.127,1312 20.567,1313 6.654,1314 85.07,1315 85.07,1316 17,1317 12.119,1318 4.17,1319 3.322,1320 27.883,1321 58,1322 51,1323 0.25,1324 125.041,1325 200.05,1326 296.86,1327 5886,1329 13.242,1330 0.697,1331 0.532,1332 13.242,1333 10.108,1334 9.22,1335 0.439,1336 0.267,1337 5.499,1338 8.717,1339 5.373,1340 4.486,1341 9.22,1342 5.616,1343 8.458,1344 0.292,1345 0.137,1346 8.458,1347 3.964,1348 6.574,1349 0.178,1350 0.068,1351 6.574,1352 2.513,1353 5.807,1354 0.116,1355 0.034,1356 5.807,1357 1.712,1358 4.539,1359 0.074,1360 0.018,1361 4.539,1362 1.08,1363 0.384,1364 58.699,1365 0.265,1366 19.005,1367 0.702,1368 100,1369 344.294,1370 113.843,1371 334.249,1372 457.84,1373 312,1374 116,1375 345.45,1376 129.68,1377 347.546,1378 501.5,1379 325,1380 4.8}
{0 CHEMBL2064494,1 1.581,2 9.304,3 1.923,4 3.697,5 86.89,6 8.426,7 0.808,8 3.726,9 3.84,10 3.411,11 3.306,12 4.933,13 3.313,14 4.197,15 4.347,16 3.78,17 3.681,18 5.423,19 3.675,20 4.376,21 4.548,22 3.761,23 3.776,24 5.53,25 3.746,26 4.372,27 4.569,28 3.704,29 3.721,30 5.535,31 3.673,32 4.318,33 4.532,34 3.589,35 3.614,36 5.425,37 3.569,38 4.231,39 4.445,40 3.452,41 3.523,42 5.318,43 3.46,44 4.113,45 4.332,46 3.301,47 3.337,48 5.251,49 3.282,50 3.898,51 4.152,52 2.982,53 3.068,54 4.927,55 2.993,56 0.06,57 0.585,58 5.486,59 2.744,60 5.024,61 3.223,62 0.216,63 0.924,64 10.243,65 4.522,66 16.326,67 5.563,68 0.251,69 1.038,70 13.829,71 5.516,72 31.776,73 6.5,74 0.239,75 1.029,76 14.343,77 5.718,78 28.548,79 7.493,80 0.282,81 0.983,82 14.251,83 4.945,84 23.35,85 6.313,86 0.182,87 0.875,88 13.136,89 5.043,90 17.93,91 6.557,92 0.196,93 0.753,94 12.342,95 4.515,96 24.845,97 5.77,98 0.181,99 0.6,100 10.93,101 3.689,102 20.883,103 4.977,104 7,105 37,106 0.279,107 0.635,108 0.785,109 0.861,110 0.881,111 0.89,112 3.189,113 0.828,114 -4.11,115 -4.05,116 -3.83,119 47.2,120 1,142 6,143 4,145 2,150 1,151 1,158 1,161 1,166 1,172 10,174 2,175 6,178 3,180 1,183 11,187 8,190 1,195 9,198 2,199 9,204 1,207 6,211 2,212 7,217 2,220 5,223 1,224 6,229 1,232 4,236 1,237 7,242 1,245 3,250 4,253 1,255 2,258 1,263 2,268 2,271 1,275 674,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.2,282 6.839,283 9.311,284 15.975,285 12.897,286 12.897,287 12.897,288 12.897,289 12.897,290 9.062,291 9.759,292 4.458,293 13.294,294 3.589,295 1.578,296 0.73,297 0.299,298 0.188,299 0.132,300 3.891,303 1,304 1,305 1,306 473,307 2.739,310 45.122,311 154.061,314 79.808,315 88.268,318 1.535,319 16.316,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 49.5,331 214,332 4.598,333 3.536,334 6.699,335 4.144,336 3.158,337 4.538,338 1.907,339 10.873,340 3.123,341 4.437,342 3.156,343 6.265,344 3.908,345 2.963,346 4.372,347 0.149,348 9.551,349 2.792,350 3.854,351 2.955,352 5.728,353 3.446,354 2.467,355 3.362,357 7.712,358 2.412,359 3.617,360 2.439,361 5.253,362 3.243,363 2.257,364 2.896,366 6.574,367 2.22,368 3.221,369 2.08,370 4.649,371 2.739,372 1.757,373 2.464,375 4.7,376 1.71,377 3.118,378 1.618,379 4.412,380 2.588,381 1.618,382 2.427,384 4.384,385 1.57,386 3.044,387 1.552,388 4.353,389 2.514,390 1.546,391 2.312,393 4.154,394 1.496,395 2.952,396 1.505,397 4.029,398 2.446,399 1.473,400 2.141,402 3.584,403 1.425,404 2.756,405 1.258,406 3.583,407 2.224,408 1.257,409 1.884,411 2.792,412 1.211,413 2.255,414 0.78,415 3.288,416 1.75,417 0.773,418 1.138,420 1.842,421 0.754,422 1.895,423 0.585,424 3.147,425 1.365,426 0.4,427 0.597,428 1.047,429 0.385,430 1.145,431 0.4,432 2.647,433 0.738,434 -0.218,435 -0.267,436 -0.595,437 -0.207,438 1.033,439 -0.018,440 2.515,441 0.586,442 -0.378,443 -0.517,445 -0.989,446 -0.363,447 0.882,448 -0.352,449 2.313,450 0.36,451 -0.618,452 -0.927,454 -1.478,455 -0.603,456 0.706,457 -0.618,458 2.181,459 0.193,460 -0.776,461 -1.112,463 -2,464 -0.746,465 10.833,466 0.471,467 0.554,468 0.024,469 35.5,470 1.543,471 20,472 0.87,473 15.5,474 0.674,475 13.52,476 0.588,477 22.767,478 0.632,479 23.961,480 1.042,481 7.099,482 0.309,483 4.105,484 0.178,485 0.077,487 0.36,493 0.694,494 1.197,495 0.655,496 0.95,497 0.588,498 0.821,499 0.581,500 0.944,501 0.723,502 0.892,503 0.534,504 0.842,505 1.23,506 0.993,507 1.048,508 0.915,509 1.291,510 0.949,511 0.662,512 1.154,513 0.933,514 1.074,515 0.465,516 1.049,517 0.999,518 0.947,519 1.079,520 0.91,521 0.774,522 0.968,523 0.867,524 1.061,525 1.04,526 1.093,527 0.626,528 1.088,529 1.136,530 1.09,531 1.041,532 1.07,533 1.204,534 1.051,535 0.988,536 0.907,537 0.984,538 0.9,539 0.896,540 0.928,541 4.5,542 0.091,543 2.222,544 1.792,545 1.009,546 0.691,547 0.398,548 0.293,549 0.145,550 0.096,551 5747,552 16545,553 2.168,554 36.1,556 6,557 1,558 2,559 1,560 3,564 1.657,565 2.06,566 3.205,567 -0.284,568 1,569 1,571 1,573 56.915,574 1.581,575 3.592,576 4.44,577 4.871,578 4.982,579 5.038,580 2.719,581 4.176,582 4.493,583 3.346,584 846.444,585 7.737,586 9369.8,587 1,588 1,590 1,591 186.117,592 1.302,593 4.469,594 0.173,595 0.009,596 0.06,597 0.05,598 0.031,599 0.024,600 0.016,601 0.014,602 0.01,603 0.008,604 0.394,605 0.5,606 1,607 0.896,608 106.634,609 0.017,610 -0.107,611 0.057,612 -0.043,613 -0.072,615 0.248,616 0.131,617 0.083,618 0.022,619 0.11,620 0.017,621 -0.224,622 0.02,623 -0.162,624 0.031,625 -0.242,626 -0.042,627 0.123,628 -0.164,629 -0.009,630 -0.111,631 0.169,632 -0.089,633 -0.077,634 0.09,635 -0.119,636 0.018,637 -0.092,638 -0.035,639 -0.044,640 -0.088,641 -0.07,642 -0.121,643 0.042,644 -0.101,645 -0.075,646 -0.147,647 -0.015,648 -0.088,649 -0.074,650 -0.054,651 -0.028,652 0.027,653 0.111,654 0.097,655 -0.015,656 0.123,657 1.862,658 4.116,659 0.826,660 18.023,661 1.01,662 1.121,663 2.876,664 8.272,665 0.709,666 3.296,667 3.638,668 3.932,669 4.263,670 4.5,671 4.595,672 4.787,673 4.927,674 5.017,675 5.069,676 5.534,677 0.692,678 303.35,679 3.296,680 4.844,681 5.707,682 6.603,683 7.485,684 8.386,685 9.276,686 10.179,687 11.074,688 11.977,689 13.9,696 1,697 1,699 3,703 3,704 9,705 3,709 3,711 21,731 36,733 22,734 1,735 26,737 39,738 17,739 15,740 2,741 4,746 4,747 6,752 1,761 16,762 1,766 1,771 1,775 1,777 1,778 1,781 13,782 5,783 1,784 6,790 5,794 0.5,795 1,805 2,811 1,812 3,815 1,816 1,826 1,840 2,844 1,848 23,855 1,867 1,870 2.8,873 1,877 11.167,878 6.967,879 4.944,880 2.072,881 4.416,882 1.588,883 1.047,884 3.196,885 11.925,886 3.651,887 4.341,888 5.01,889 5.714,890 6.318,891 6.724,892 7.272,893 7.777,894 8.179,895 8.548,896 1,897 36,898 8.422,900 3.606,901 7.768,902 15.943,904 13.068,905 2.268,906 52.167,910 141.253,911 112.661,912 69.409,914 25.145,917 112.661,918 166.398,919 69.409,920 8.825,921 18.011,922 65.905,923 105.341,924 30.776,925 13.67,926 105.94,928 141.253,929 182.07,930 25.145,933 141.253,934 25.145,937 49.709,938 82.127,939 50.234,941 141.253,942 94.554,943 112.661,946 141.253,947 19.836,948 93.989,949 18.011,950 75.379,951 141.253,952 94.554,953 112.661,955 0.582,956 0.332,957 0.195,958 0.107,959 20,960 8,961 0.051,962 2,963 2,964 1.211,965 3.56,966 192.647,967 0.211,968 19,969 104.042,974 13.709,975 5.362,976 2.506,977 2.886,978 93.39,979 17.534,980 12.838,984 2.313,986 18.011,987 348.468,988 37.5,993 11.116,997 -0.195,999 36.371,1000 40.362,1001 0.306,1002 0.695,1003 0.859,1004 0.942,1005 0.964,1006 0.974,1007 4.869,1008 1.473,1009 5.694,1010 4.154,1011 4.317,1012 5.027,1013 1.953,1014 6.521,1015 4.259,1016 6.109,1017 1.257,1018 7.253,1019 3.584,1020 3.892,1021 4.902,1022 1.593,1023 7.424,1024 3.819,1025 7.434,1026 0.773,1027 8.913,1028 2.792,1029 5.916,1030 7.357,1031 2.904,1032 10.552,1033 5.799,1034 8.798,1035 0.4,1036 10.633,1037 1.842,1038 6.312,1039 8.083,1040 3.032,1041 12.308,1042 6.18,1043 10.193,1044 -0.218,1045 12.393,1046 1.047,1047 7.809,1048 9.995,1049 4.037,1050 14.938,1051 7.641,1052 11.613,1053 -0.378,1054 14.18,1055 -0.595,1056 8.598,1057 11.135,1058 4.409,1059 17.046,1060 8.414,1061 13.052,1062 -0.618,1063 15.988,1064 -0.989,1065 9.874,1066 12.813,1067 5.25,1068 19.503,1069 9.662,1070 3.158,1071 -0.776,1072 17.812,1073 -1.478,1074 10.848,1075 14.149,1076 5.75,1077 21.758,1078 10.62,1079 2.963,1080 10.873,1081 19.647,1082 -2,1083 12.033,1084 15.724,1085 6.501,1086 24.155,1087 11.783,1088 2.467,1089 9.551,1090 21.491,1091 4.538,1092 13.092,1093 17.149,1094 7.068,1095 26.473,1096 12.828,1097 2.257,1098 7.712,1099 23.343,1100 4.372,1101 14.241,1102 18.68,1103 7.771,1104 28.85,1105 13.96,1106 1.757,1107 6.574,1108 25.201,1109 3.362,1110 15.339,1111 20.146,1112 8.374,1113 31.197,1114 15.045,1115 1.618,1116 4.7,1117 27.064,1118 2.896,1119 16.476,1120 21.658,1121 9.051,1122 33.57,1123 16.168,1124 1.546,1125 4.384,1126 28.932,1127 2.464,1128 17.593,1129 23.142,1130 9.674,1131 35.931,1132 17.274,1133 5438,1134 9350,1135 17.8,1136 25.529,1137 39.763,1138 40.144,1139 40.196,1140 39.326,1141 39.336,1142 56.257,1143 4.112,1144 114.427,1145 38.199,1146 5.333,1147 5.536,1148 6.388,1149 5.192,1150 5.158,1151 7.538,1152 3.306,1153 18.062,1154 5.123,1155 8.833,1156 1.529,1157 1.544,1158 1.546,1159 1.513,1160 1.513,1161 2.164,1162 0.158,1163 4.401,1164 1.469,1165 4.149,1166 4.192,1167 4.122,1168 4.06,1169 7.43,1170 4.066,1171 3.993,1172 4.036,1173 3.961,1174 3.841,1175 5.158,1176 3.867,1177 3.589,1178 3.635,1179 3.512,1180 3.387,1181 4.963,1182 3.411,1183 3.428,1184 3.48,1185 3.346,1186 3.272,1187 4.468,1188 3.284,1189 3.234,1190 3.295,1191 3.154,1192 3.062,1193 4.328,1194 3.077,1195 2.998,1196 3.054,1197 2.888,1198 2.88,1199 3.907,1200 2.877,1201 2.854,1202 2.936,1203 2.736,1204 2.688,1205 3.881,1206 2.688,1207 2.668,1208 2.772,1209 2.496,1210 2.479,1211 3.738,1212 2.475,1213 0.177,1214 0.136,1215 0.258,1216 0.159,1217 0.121,1218 4.598,1219 0.175,1220 3.536,1221 0.073,1222 6.699,1223 0.418,1224 4.144,1225 0.12,1226 3.158,1227 4.538,1228 1.907,1229 10.873,1230 3.123,1231 2.076,1232 2.055,1233 2.145,1234 2.154,1235 1.283,1236 2.152,1237 1.838,1238 1.8,1239 1.928,1240 1.988,1241 1.021,1242 1.971,1243 1.521,1244 1.465,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.381,1250 1.332,1251 1.538,1252 1.546,1253 0.559,1254 1.549,1255 1.179,1256 1.108,1257 1.339,1258 1.457,1259 0.345,1260 1.437,1261 1.057,1262 1.006,1263 1.244,1264 1.206,1265 0.267,1266 1.218,1267 0.805,1268 0.728,1269 1.063,1270 1.07,1271 0.08,1272 1.081,1273 0.725,1274 0.655,1275 0.963,1276 0.938,1277 0.047,1278 0.953,1279 3.97,1281 5.303,1282 2.398,1283 6.834,1284 4.727,1285 8.46,1286 6.823,1287 10.136,1289 1.429,1296 2.589,1305 24.929,1306 56.915,1307 129.323,1308 159.853,1309 175.362,1310 179.362,1311 181.362,1312 25.983,1313 7.509,1314 72.18,1315 72.18,1316 23,1317 12.498,1318 4.524,1319 3.644,1320 31.875,1321 76,1322 77,1323 0.21,1324 152.96,1325 247.01,1326 364.983,1327 18141,1329 15.811,1330 0.687,1331 0.539,1332 15.811,1333 12.393,1334 11.204,1335 0.431,1336 0.276,1337 7.078,1338 10.775,1339 6.906,1340 5.741,1341 11.204,1342 7.177,1343 10.363,1344 0.28,1345 0.142,1346 10.363,1347 5.245,1348 8.493,1349 0.17,1350 0.072,1351 8.493,1352 3.598,1353 7.736,1354 0.111,1355 0.037,1356 7.736,1357 2.599,1358 6.322,1359 0.071,1360 0.02,1361 6.322,1362 1.751,1363 0.324,1364 70.098,1365 0.237,1366 22.343,1367 0.591,1368 126,1369 374.649,1370 138.4,1371 369.116,1372 515.8,1373 346,1374 150,1375 396.338,1376 162.347,1377 401.324,1378 586.07,1379 378,1380 4}
{0 CHEMBL2064495,1 1.648,2 8.421,3 1.014,4 1.029,5 70.44,6 8.443,7 0.762,8 3.545,9 3.667,10 3.224,11 3.069,12 4.776,13 3.089,14 4.002,15 4.165,16 3.569,17 3.407,18 5.27,19 3.414,20 4.142,21 4.33,22 3.471,23 3.456,24 5.325,25 3.435,26 4.082,27 4.285,28 3.381,29 3.376,30 5.273,31 3.328,32 4.022,33 4.251,34 3.256,35 3.232,36 5.141,37 3.197,38 3.917,39 4.155,40 3.098,41 3.115,42 5.027,43 3.069,44 3.679,45 3.882,46 2.878,47 2.875,48 4.923,49 2.837,50 3.449,51 3.701,52 2.457,53 2.557,54 4.511,55 2.474,56 0.072,57 0.509,58 4.648,59 2.191,60 4.436,61 2.631,62 0.225,63 0.768,64 8.763,65 3.508,66 14.997,67 4.447,68 0.288,69 0.809,70 11.53,71 3.942,72 32.877,73 4.736,74 0.232,75 0.753,76 10.94,77 4.099,78 24.155,79 5.573,80 0.25,81 0.694,82 11.155,83 3.402,84 18.286,85 4.654,86 0.214,87 0.607,88 10.443,89 3.265,90 15.652,91 4.443,92 0.177,93 0.467,94 7.654,95 2.614,96 21.803,97 3.243,98 0.146,99 0.349,100 6.936,101 2.219,102 16.267,103 3.051,104 7,105 29,106 0.308,107 0.677,108 0.799,109 0.837,110 0.837,111 0.837,112 3.01,113 0.824,114 -3.24,115 -3.23,116 -3.1,119 43.3,120 1,142 4,143 2,145 2,150 1,151 1,158 1,161 1,166 1,172 5,174 2,175 6,178 3,180 1,183 5,187 6,190 1,195 3,198 2,199 8,204 1,207 2,211 1,212 5,217 2,223 1,224 4,229 1,232 1,236 1,237 2,242 2,245 2,249 1,250 1,258 1,263 2,266 1,271 2,275 380,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 10.873,282 6.839,283 7.751,284 13.131,285 10.426,286 10.426,287 10.426,288 10.426,289 10.426,290 7.427,291 9.759,292 3.748,293 10.841,294 3.259,295 1.28,296 0.625,297 0.425,298 0.425,299 0.425,300 3.691,304 1,305 1,306 344,307 2.55,310 38.851,311 101.692,314 70.173,318 1.496,319 14.825,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 41.5,331 160,332 4.513,333 3.536,334 6.336,335 4.01,336 3.058,337 4.452,338 1.907,339 9.778,340 2.93,341 4.116,342 3.051,343 6.044,344 3.712,345 2.74,346 3.71,347 0.149,348 8.769,349 2.643,350 3.661,351 2.733,352 5.257,353 3.291,354 2.316,355 2.98,357 6.614,358 2.254,359 3.343,360 2.141,361 4.529,362 2.843,363 1.866,364 2.662,366 4.678,367 1.814,368 3.124,369 1.773,370 4.393,371 2.628,372 1.667,373 2.356,375 4.384,376 1.591,377 3.003,378 1.521,379 4.312,380 2.469,381 1.512,382 2.225,384 4.09,385 1.442,386 2.631,387 1.153,388 3.508,389 2.096,390 1.142,391 1.694,393 2.688,394 1.086,395 2.5,396 1,397 3.247,398 1.984,399 1,400 1.5,402 2.136,403 0.983,404 1.902,405 0.589,406 3.154,407 1.373,408 0.41,409 0.61,411 1.075,412 0.394,413 1.106,414 0.409,415 2.598,416 0.725,417 -0.23,418 -0.277,420 -0.628,421 -0.217,422 0.868,423 -0.019,424 2.474,425 0.421,426 -0.54,427 -0.724,428 -1.353,429 -0.517,430 0.62,431 -0.513,432 2.174,433 0.111,434 -0.879,435 -1.23,436 -2,437 -0.854,438 0.5,439 -0.833,440 1.701,441 0.079,442 -1,443 -1.411,445 -2.347,446 -0.946,447 0.5,448 -1,449 1.64,450 -0.039,451 -1,452 -1.5,454 -2.355,455 -0.959,456 0.376,457 -1,458 1.555,459 -0.049,460 -1,461 -1.5,463 -2.768,464 -1.092,465 8.833,466 0.465,467 0.452,468 0.024,469 29,470 1.526,471 16,472 0.842,473 13,474 0.684,475 10.159,476 0.535,477 19.367,478 0.646,479 18.215,480 0.959,481 5.878,482 0.309,483 3.343,484 0.176,485 0.094,487 0.328,493 0.718,494 1.336,495 0.658,496 1.04,497 0.591,498 0.87,499 0.605,500 1.027,501 0.721,502 0.945,503 0.532,504 0.871,505 1.383,506 0.961,507 1.143,508 0.874,509 1.422,510 0.947,511 0.629,512 1.189,513 0.95,514 1.147,515 0.474,516 1.116,517 0.999,518 1.051,519 1.037,520 0.937,521 0.765,522 0.961,523 1.014,524 0.878,525 1.018,526 0.892,527 0.686,528 0.925,529 1.371,530 1.068,531 1.209,532 1.15,533 1.606,534 1.16,535 1.024,536 0.917,537 1.109,538 1.053,539 1.082,540 1.094,541 4,542 0.037,543 1.556,544 1.292,545 0.604,546 0.657,547 0.293,548 0.191,549 0.086,550 0.066,551 3340,552 10468,553 2.113,554 36.7,556 4,557 1,558 2,559 1,560 3,564 1.6,565 2,566 3.091,567 -0.198,569 1,571 1,573 49.438,574 1.648,575 3.627,576 4.282,577 4.482,578 4.482,579 4.482,580 2.576,581 3.827,582 4.215,583 3.203,584 547.787,585 7.17,586 5313.33,587 1,588 1,591 147.207,592 1.324,593 4.189,594 0.19,595 0.007,596 0.054,597 0.05,598 0.026,599 0.033,600 0.017,601 0.015,602 0.011,603 0.009,604 0.412,605 0.67,606 1,607 1.013,608 82.353,609 -0.005,610 -0.196,611 0.055,612 -0.097,613 -0.078,614 -0.029,615 0.242,616 0.071,617 0.1,618 -0.02,619 0.125,620 -0.003,621 -0.322,622 0.06,623 -0.239,624 0.067,625 -0.31,626 -0.046,627 0.147,628 -0.209,629 -0.03,630 -0.17,631 0.175,632 -0.142,633 -0.091,634 -0.061,635 -0.056,636 -0.008,637 -0.064,638 -0.01,639 -0.114,640 0.081,641 -0.007,642 0.061,643 0.06,644 0.063,645 -0.203,646 -0.123,647 -0.228,648 -0.194,649 -0.211,650 -0.216,651 -0.038,652 -0.04,653 -0.027,654 -0.068,655 -0.07,656 -0.052,657 1.856,658 3.971,659 0.789,660 14.632,661 1.016,662 1.132,663 2.013,664 4.054,665 0.692,666 3.091,667 3.401,668 3.638,669 3.932,670 4.127,671 4.205,672 4.369,673 4.431,674 4.407,675 4.394,676 5.02,677 0.68,678 253.29,679 3.091,680 4.615,681 5.451,682 6.326,683 7.185,684 8.067,685 8.937,686 9.823,687 10.699,688 11.586,689 16.7,696 1,697 1,699 3,703 1,704 7,705 3,709 3,711 16,731 30,733 17,735 21,737 32,738 13,739 11,746 3,747 4,752 1,761 12,762 1,766 1,771 1,775 1,778 1,781 11,782 5,783 1,784 6,790 5,794 0.667,795 1,805 2,811 1,812 2,815 1,826 1,840 2,844 1,848 19,855 1,867 1,870 3.3,873 1,877 9.5,878 5.8,879 4.139,880 1.669,881 3.17,882 1.476,883 1.01,884 2.879,885 9.824,886 3.434,887 4.073,888 4.674,889 5.34,890 5.892,891 6.256,892 6.781,893 7.206,894 7.434,895 7.773,896 0.833,897 26,898 6.935,900 2.901,901 7.86,902 12.979,904 10.273,905 2.36,906 44.833,907 0.001,910 117.711,911 88.563,912 69.409,914 25.145,917 88.563,918 142.856,919 69.409,920 8.825,921 18.011,922 46.952,923 105.341,924 25.63,925 13.67,926 82.398,928 117.711,929 157.971,930 25.145,933 117.711,934 25.145,937 49.709,938 58.028,939 50.234,941 117.711,942 94.554,943 88.563,946 117.711,947 14.69,948 75.036,949 18.011,950 75.379,951 117.711,952 94.554,953 88.563,955 0.576,956 0.315,957 0.179,958 0.098,959 15,960 6,961 0.063,962 2,963 1,964 1.133,965 3.215,966 139.224,967 0.133,968 15,969 76.711,974 11.662,975 4.69,976 2.404,977 0.682,978 93.39,979 13.001,980 12.38,984 2.363,986 18.011,987 300.827,988 30,993 10.971,997 -0.19,999 30.487,1000 33.947,1001 0.336,1002 0.739,1003 0.873,1004 0.913,1005 0.913,1006 0.913,1007 4.635,1008 1,1009 5.425,1010 2.688,1011 4.078,1012 4.758,1013 1.953,1014 6.205,1015 4.002,1016 5.855,1017 0.41,1018 6.956,1019 2.136,1020 3.611,1021 4.543,1022 1.593,1023 7.002,1024 3.514,1025 7.16,1026 -0.23,1027 8.584,1028 1.075,1029 5.631,1030 7.011,1031 2.904,1032 10.094,1033 5.475,1034 8.502,1035 -0.54,1036 10.269,1037 -0.628,1038 5.969,1039 7.638,1040 3.032,1041 11.732,1042 5.784,1043 9.873,1044 -0.879,1045 11.992,1046 -1.353,1047 7.468,1048 9.567,1049 4.037,1050 14.308,1051 7.232,1052 11.269,1053 -1,1054 13.742,1055 -2,1056 8.196,1057 10.621,1058 4.409,1059 16.299,1060 7.923,1061 12.682,1062 -1,1063 15.51,1064 -2.347,1065 9.466,1066 12.306,1067 5.25,1068 18.681,1069 9.147,1070 3.058,1071 -1,1072 17.293,1073 -2.355,1074 10.388,1075 13.58,1076 5.75,1077 20.824,1078 10.026,1079 2.74,1080 9.778,1081 19.086,1082 -2.768,1083 11.557,1084 15.152,1085 6.501,1086 23.131,1087 11.152,1088 2.316,1089 8.769,1090 20.887,1091 4.452,1092 12.572,1093 16.536,1094 7.068,1095 25.34,1096 12.122,1097 1.866,1098 6.614,1099 22.695,1100 3.71,1101 13.698,1102 18.058,1103 7.771,1104 27.618,1105 13.206,1106 1.667,1107 4.678,1108 24.507,1109 2.98,1110 14.759,1111 19.495,1112 8.374,1113 29.857,1114 14.222,1115 1.512,1116 4.384,1117 26.324,1118 2.662,1119 15.869,1120 20.996,1121 9.051,1122 32.126,1123 15.289,1124 1.142,1125 4.09,1126 28.143,1127 2.356,1128 16.952,1129 22.46,1130 9.674,1131 34.38,1132 16.327,1133 3271,1134 5894,1135 14.216,1136 20.767,1137 31.873,1138 32.116,1139 31.845,1140 31.413,1141 31.423,1142 44.378,1143 4.112,1144 88.424,1145 30.273,1146 5.249,1147 5.536,1148 6.138,1149 5.055,1150 5.058,1151 7.452,1152 3.306,1153 16.241,1154 4.881,1155 7.672,1156 1.518,1157 1.529,1158 1.516,1159 1.496,1160 1.496,1161 2.113,1162 0.196,1163 4.211,1164 1.442,1165 4.112,1166 4.167,1167 4.087,1168 3.958,1169 7.43,1170 3.979,1171 3.82,1172 3.868,1173 3.77,1174 3.671,1175 5.154,1176 3.692,1177 3.568,1178 3.616,1179 3.484,1180 3.339,1181 4.892,1182 3.366,1183 3.239,1184 3.3,1185 3.164,1186 3.047,1187 4.338,1188 3.07,1189 2.908,1190 2.978,1191 2.804,1192 2.75,1193 3.906,1194 2.754,1195 2.854,1196 2.925,1197 2.687,1198 2.735,1199 3.876,1200 2.715,1201 2.724,1202 2.834,1203 2.568,1204 2.441,1205 3.674,1206 2.461,1207 2.501,1208 2.585,1209 2.318,1210 2.233,1211 3.638,1212 2.245,1213 0.215,1214 0.168,1215 0.302,1216 0.191,1217 0.146,1218 4.513,1219 0.212,1220 3.536,1221 0.091,1222 6.336,1223 0.466,1224 4.01,1225 0.14,1226 3.058,1227 4.452,1228 1.907,1229 9.778,1230 2.93,1231 1.962,1232 1.93,1233 2.043,1234 2.09,1235 1.147,1236 2.076,1237 1.695,1238 1.649,1239 1.808,1240 1.865,1241 0.832,1242 1.851,1243 1.52,1244 1.464,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.178,1250 1.105,1251 1.337,1252 1.457,1253 0.288,1254 1.437,1255 0.886,1256 0.825,1257 1.181,1258 1.12,1259 0.218,1260 1.107,1261 0.886,1262 0.821,1263 1.065,1264 1.062,1265 0.081,1266 1.101,1267 0.773,1268 0.69,1269 1.001,1270 1.021,1271 0.066,1272 1.037,1273 0.434,1274 0.349,1275 0.732,1276 0.776,1278 0.754,1279 3.761,1281 5.069,1282 2.398,1283 6.564,1284 4.727,1285 8.145,1286 6.823,1287 9.774,1289 1.425,1296 2.561,1305 20.402,1306 49.438,1307 108.8,1308 128.452,1309 134.452,1310 134.452,1311 134.452,1312 20.489,1313 6.654,1314 72.18,1315 72.18,1316 17,1317 12.119,1318 4.17,1319 3.322,1320 27.883,1321 58,1322 51,1323 0.25,1324 127.839,1325 206.35,1326 303.688,1327 5886,1329 13.242,1330 0.697,1331 0.539,1332 13.242,1333 10.239,1334 9.22,1335 0.439,1336 0.275,1337 5.667,1338 8.784,1339 5.531,1340 4.614,1341 9.22,1342 5.767,1343 8.458,1344 0.292,1345 0.14,1346 8.458,1347 4.073,1348 6.574,1349 0.178,1350 0.071,1351 6.574,1352 2.632,1353 5.807,1354 0.116,1355 0.036,1356 5.807,1357 1.809,1358 4.539,1359 0.074,1360 0.019,1361 4.539,1362 1.145,1363 0.384,1364 58.199,1365 0.265,1366 19.005,1367 0.702,1368 100,1369 324.649,1370 112.4,1371 316.612,1372 436.32,1373 296,1374 116,1375 331.338,1376 128.014,1377 332.962,1378 481.7,1379 313,1380 5.8}
{0 CHEMBL2064496,1 1.777,2 8.5,3 1.455,4 2.118,5 78.659,6 8.708,7 0.682,8 3.629,9 3.747,10 3.389,11 3.202,12 4.8,13 3.172,14 4.119,15 4.294,16 3.821,17 3.56,18 5.316,19 3.516,20 4.191,21 4.36,22 3.684,23 3.591,24 5.368,25 3.523,26 4.188,27 4.362,28 3.619,29 3.577,30 5.343,31 3.478,32 4.117,33 4.309,34 3.485,35 3.432,36 5.232,37 3.354,38 4.173,39 4.435,40 3.346,41 3.357,42 5.164,43 3.246,44 3.951,45 4.191,46 3.104,47 3.098,48 5.058,49 3.017,50 3.719,51 3.982,52 2.71,53 2.847,54 4.685,55 2.692,56 0.069,57 0.564,58 5.601,59 2.821,60 4.673,61 3.249,62 0.242,63 0.882,64 12.598,65 4.815,66 17.613,67 5.873,68 0.317,69 0.912,70 15.769,71 5.042,72 32.479,73 5.082,74 0.244,75 0.902,76 17.441,77 5.881,78 23.096,79 6.717,80 0.247,81 0.821,82 12.497,83 4.318,84 16.942,85 5.307,86 0.244,87 0.773,88 16.027,89 5.227,90 20.713,91 7.079,92 0.226,93 0.606,94 12.028,95 3.844,96 24.555,97 5.066,98 0.183,99 0.47,100 10.986,101 3.5,102 19.143,103 4.416,104 19,105 32,106 0.326,107 0.693,108 0.757,109 0.847,110 0.847,111 0.847,112 3.058,113 0.945,114 -3.59,115 -3.56,116 -3.4,119 39.4,120 3,142 2,143 1,146 1,150 1,151 1,152 1,158 1,161 2,166 1,172 2,174 2,175 7,178 3,180 1,183 3,187 5,190 1,195 3,198 2,199 6,204 1,207 4,211 2,212 4,217 2,220 2,223 1,224 4,232 2,236 1,237 4,242 1,245 2,250 1,253 1,255 1,263 1,268 1,271 1,275 418,276 13.118,277 13.118,278 13.118,279 13.118,280 13.118,281 11.166,282 11.69,283 7.595,284 13.573,285 10.893,286 10.893,287 10.893,288 10.893,289 10.893,290 7.899,291 14.171,292 3.662,293 11.672,294 3.267,295 1.274,296 0.925,297 0.432,298 0.432,299 0.432,300 3.731,303 1,304 1,305 1,306 362,307 2.739,310 93.211,311 47.997,314 75.146,318 1.5,319 15.961,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 43.5,331 170,332 4.543,333 3.536,334 6.522,335 4.058,336 3.12,337 4.464,338 1.907,339 10.264,340 2.928,341 4.336,342 3.164,343 6.226,344 3.837,345 2.919,346 4.049,347 0.149,348 9.397,349 2.679,350 3.727,351 2.949,352 5.316,353 3.337,354 2.38,355 3.124,357 6.812,358 2.279,359 3.525,360 2.373,361 5.163,362 3.105,363 2.15,364 2.796,366 6.222,367 2.038,368 3.176,369 2.108,370 4.64,371 2.716,372 1.763,373 2.384,375 4.679,376 1.658,377 3.039,378 1.888,379 4.419,380 2.583,381 1.636,382 2.276,384 4.384,385 1.528,386 2.974,387 1.521,388 4.36,389 2.466,390 1.509,391 2.142,393 4.219,394 1.439,395 2.417,396 1.026,397 3.902,398 1.837,399 0.966,400 1.381,402 2.754,403 0.823,404 1.889,405 0.587,406 3.162,407 1.339,408 0.394,409 0.587,411 1.051,412 0.37,413 1.1,414 0.397,415 2.661,416 0.718,417 -0.232,418 -0.28,420 -0.639,421 -0.219,422 0.81,423 -0.02,424 2.512,425 0.416,426 -0.524,427 -0.63,428 -1.291,429 -0.483,430 0.615,431 -0.169,432 2.203,433 0.291,434 -0.64,435 -0.773,436 -1.671,437 -0.594,438 0.568,439 -0.43,440 2,441 0.103,442 -0.885,443 -1.191,445 -2,446 -0.841,447 0.384,448 -0.757,449 1.792,450 0.07,451 -1,452 -1.362,454 -2.492,455 -0.932,456 0.356,457 -0.926,458 1.658,459 -0.061,460 -1,461 -1.43,463 -2.781,464 -1.092,465 9.667,466 0.483,467 0.647,468 0.032,469 27.5,470 1.375,471 14,472 0.7,473 13.5,474 0.675,475 14.838,476 0.742,477 20.933,478 0.634,479 16.848,480 0.842,481 5.283,482 0.264,483 4.242,484 0.212,485 0.19,487 0.403,493 0.717,494 1.284,495 0.686,496 0.928,497 0.618,498 0.877,499 0.512,500 1.01,501 0.618,502 0.811,503 0.45,504 0.704,505 1.63,506 0.949,507 1.39,508 0.968,509 1.559,510 0.917,511 0.689,512 1.343,513 1.42,514 1.475,515 0.443,516 1.235,517 0.962,518 1.167,519 1.067,520 1.109,521 0.831,522 1.196,523 0.743,524 0.867,525 0.69,526 0.794,527 0.536,528 0.874,529 1.135,530 0.953,531 0.755,532 0.849,533 1.275,534 0.97,535 0.989,536 0.864,537 1.048,538 0.974,539 0.986,540 1.075,541 5.5,542 0.073,543 2,544 2.049,545 0.903,546 0.751,547 0.4,548 0.275,549 0.137,550 0.1,551 3674,552 11476,553 2.048,554 39.4,556 2,557 1,559 1,560 9,564 1.616,565 1.875,566 3.085,567 -0.173,569 1,571 1,573 58.644,574 1.777,575 3.77,576 4.119,577 4.612,578 4.612,579 4.612,580 2.571,581 3.484,582 4.29,583 3.22,584 611.745,585 7.325,586 6145.93,587 1,588 1,590 1,591 166.465,592 1.522,593 4.231,594 0.25,595 0.01,596 0.063,597 0.073,598 0.035,599 0.034,600 0.021,601 0.018,602 0.015,603 0.012,604 0.532,605 0.67,606 1,607 1.113,608 88.159,609 0.002,610 -0.148,611 0.066,612 -0.01,613 -0.091,614 -0.01,615 0.342,616 0.063,617 0.318,618 0.163,619 0.219,620 0.222,621 -0.461,622 0.174,623 -0.313,624 0.078,625 -0.368,626 -0.039,627 0.091,628 -0.277,629 -0.273,630 -0.333,631 0.19,632 -0.259,633 -0.072,634 -0.117,635 -0.215,636 -0.222,637 -0.143,638 -0.304,639 0.062,640 0.01,641 0.2,642 0.101,643 0.129,644 0.152,645 -0.063,646 -0.077,647 0.063,648 -0.016,649 -0.078,650 0.001,651 -0.057,652 0.015,653 -0.044,654 -0.018,655 -0.071,656 -0.048,657 1.852,658 4.019,659 0.7,660 15.38,661 1.014,662 1.13,663 2.359,664 5.565,665 0.702,666 3.135,667 3.497,668 3.738,669 4.06,670 4.19,671 4.29,672 4.466,673 4.575,674 4.585,675 4.585,676 5.106,677 0.67,678 287.38,679 3.135,680 4.691,681 5.541,682 6.441,683 7.313,684 8.215,685 9.097,686 9.999,687 10.886,688 11.788,689 15.2,696 1,697 1,699 3,703 1,704 3,705 3,708 1,709 5,711 15,731 33,733 16,735 22,737 35,738 13,739 9,746 3,747 4,752 3,761 10,762 3,766 1,771 1,775 1,777 1,778 1,781 13,782 5,783 1,784 7,785 1,790 5,794 0.667,795 1,805 1,811 2,812 1,815 1,826 1,840 2,842 1,844 3,848 20,855 1,863 1,867 1,870 3,873 1,877 10.667,878 7.133,879 4.25,880 1.893,881 2.984,882 1.44,883 1,884 3.262,885 9.758,886 3.45,887 4.135,888 4.738,889 5.421,890 5.878,891 6.304,892 6.832,893 7.293,894 7.543,895 7.855,896 0.833,897 28,898 7.329,900 3.072,901 7.8,902 13.853,904 11.095,905 2.3,906 46,907 0.001,910 141.253,911 102.303,912 69.409,914 25.145,916 31.278,917 71.025,918 166.398,919 69.409,920 26.476,921 18.011,922 28,923 82.729,924 7.106,925 15.029,926 160.76,928 141.253,929 140.434,930 25.145,931 31.278,933 141.253,934 25.145,937 52.951,938 37.249,939 50.234,940 31.278,941 141.253,942 94.554,943 102.303,946 141.253,947 47.827,948 55.639,949 18.011,950 75.379,951 141.253,952 94.554,953 102.303,955 0.593,956 0.326,957 0.186,958 0.096,959 17,960 8,961 0.057,962 2,963 1,964 1.143,965 3.218,966 152.37,967 0.143,968 14,969 86.439,970 1,974 13.191,975 4.946,976 2.594,977 0.691,978 93.39,979 5.761,980 12.885,983 1.651,984 4.525,986 18.011,987 338.109,988 30.5,993 11.019,997 -0.185,999 33.447,1000 37.282,1001 0.352,1002 0.747,1003 0.817,1004 0.914,1005 0.914,1006 0.914,1007 4.689,1008 0.966,1009 5.557,1010 4.219,1011 4.174,1012 4.82,1013 1.953,1014 6.382,1015 4.042,1016 5.942,1017 0.394,1018 7.124,1019 2.754,1020 3.892,1021 4.796,1022 1.593,1023 7.261,1024 3.712,1025 7.274,1026 -0.232,1027 8.782,1028 1.051,1029 5.784,1030 7.116,1031 2.904,1032 10.356,1033 5.517,1034 8.641,1035 -0.524,1036 10.493,1037 -0.639,1038 6.256,1039 7.885,1040 3.032,1041 12.05,1042 5.923,1043 10.034,1044 -0.64,1045 12.238,1046 -1.291,1047 7.677,1048 9.71,1049 4.037,1050 14.655,1051 7.272,1052 11.449,1053 -0.885,1054 14.007,1055 -1.671,1056 8.5,1057 10.858,1058 4.409,1059 16.702,1060 8.019,1061 12.881,1062 -1,1063 15.794,1064 -2,1065 9.735,1066 12.479,1067 5.25,1068 19.123,1069 9.188,1070 3.12,1071 -1,1072 17.597,1073 -2.492,1074 10.72,1075 13.806,1076 5.75,1077 21.321,1078 10.097,1079 2.919,1080 10.264,1081 19.411,1082 -2.781,1083 11.88,1084 15.341,1085 6.501,1086 23.672,1087 11.193,1088 2.38,1089 9.397,1090 21.234,1091 4.464,1092 12.939,1093 16.75,1094 7.068,1095 25.933,1096 12.178,1097 2.15,1098 6.812,1099 23.065,1100 4.049,1101 14.071,1102 18.25,1103 7.771,1104 28.258,1105 13.246,1106 1.763,1107 6.222,1108 24.902,1109 3.124,1110 15.163,1111 19.697,1112 8.374,1113 30.547,1114 14.268,1115 1.636,1116 4.679,1117 26.744,1118 2.796,1119 16.286,1120 21.184,1121 9.051,1122 32.864,1123 15.327,1124 1.509,1125 4.384,1126 28.589,1127 2.384,1128 17.394,1129 22.649,1130 9.674,1131 35.165,1132 16.367,1133 3650,1134 6578,1135 14.334,1136 23.176,1137 34.3,1138 34.335,1139 35.057,1140 33.623,1141 33.673,1142 46.408,1143 4.112,1144 99.565,1145 31.483,1146 5.279,1147 5.536,1148 5.798,1149 5.167,1150 5.12,1151 7.464,1152 3.306,1153 17.105,1154 4.88,1155 11.063,1156 1.559,1157 1.561,1158 1.593,1159 1.528,1160 1.531,1161 2.109,1162 0.187,1163 4.526,1164 1.431,1165 4.113,1166 4.165,1167 4.27,1168 4,1169 7.43,1170 3.988,1171 3.833,1172 3.864,1173 4.012,1174 3.745,1175 5.152,1176 3.721,1177 3.57,1178 3.617,1179 3.493,1180 3.344,1181 4.811,1182 3.369,1183 3.256,1184 3.324,1185 3.175,1186 3.084,1187 4.311,1188 3.089,1189 3.172,1190 3.261,1191 3.014,1192 2.999,1193 3.903,1194 2.975,1195 2.91,1196 2.983,1197 2.814,1198 2.762,1199 3.869,1200 2.749,1201 2.76,1202 2.868,1203 2.702,1204 2.573,1205 3.823,1206 2.509,1207 2.619,1208 2.722,1209 2.441,1210 2.346,1211 3.474,1212 2.337,1213 0.207,1214 0.161,1215 0.296,1216 0.184,1217 0.142,1218 4.543,1219 0.203,1220 3.536,1221 0.087,1222 6.522,1223 0.467,1224 4.058,1225 0.133,1226 3.12,1227 4.464,1228 1.907,1229 10.264,1230 2.928,1231 1.908,1232 1.876,1233 1.974,1234 2.052,1235 1.114,1236 2.032,1237 1.524,1238 1.469,1239 1.735,1240 1.805,1241 0.796,1242 1.775,1243 1.506,1244 1.444,1245 1.731,1246 1.704,1247 0.783,1248 1.717,1249 1.435,1250 1.411,1251 1.633,1252 1.548,1253 0.732,1254 1.608,1255 1.176,1256 1.1,1257 1.339,1258 1.457,1259 0.339,1260 1.437,1261 0.928,1262 0.854,1263 1.072,1264 1.138,1265 0.22,1266 1.14,1267 0.782,1268 0.697,1269 1.037,1270 1.031,1271 0.079,1272 1.062,1273 0.51,1274 0.461,1275 0.707,1276 0.793,1278 0.789,1279 3.807,1281 5.153,1282 3.045,1283 6.663,1284 5.416,1285 8.255,1286 7.496,1287 9.894,1289 5.414,1296 2.577,1305 22.116,1306 58.644,1307 124.426,1308 135.936,1309 152.2,1310 152.2,1311 152.2,1312 23.943,1313 6.774,1314 72.18,1315 100.42,1316 16,1317 12.311,1318 4.087,1319 3.248,1320 30.023,1321 63,1322 56,1323 0.252,1324 141.898,1325 227.5,1326 337.99,1327 6661,1329 14.276,1330 0.714,1331 0.608,1332 14.629,1333 12.154,1334 9.525,1335 0.433,1336 0.315,1337 6.086,1338 8.624,1339 5.755,1340 4.817,1341 9.933,1342 6.928,1343 9.278,1344 0.29,1345 0.178,1346 9.98,1347 5.688,1348 7.042,1349 0.172,1350 0.095,1351 7.831,1352 3.906,1353 6.422,1354 0.113,1355 0.052,1356 7.202,1357 2.937,1358 4.661,1359 0.072,1360 0.028,1361 5.298,1362 1.836,1363 0.387,1364 64.017,1365 0.264,1366 19.764,1367 0.711,1368 108,1369 341.509,1370 147.245,1371 352.771,1372 488.7,1373 330,1374 127,1375 358.785,1376 161.506,1377 375.627,1378 548.54,1379 353,1380 5.2}
{0 CHEMBL2064497,1 1.678,2 8.421,3 0.815,4 0.664,5 71.181,6 8.268,7 0.714,8 3.585,9 3.721,10 3.248,11 3.04,12 4.793,13 3.07,14 4.066,15 4.256,16 3.61,17 3.39,18 5.299,19 3.415,20 4.152,21 4.343,22 3.453,23 3.426,24 5.338,25 3.41,26 4.135,27 4.352,28 3.401,29 3.361,30 5.303,31 3.317,32 4.038,33 4.284,34 3.27,35 3.18,36 5.141,37 3.164,38 3.884,39 4.1,40 3.119,41 3.109,42 5.025,43 3.067,44 3.815,45 4.051,46 2.908,47 2.915,48 4.964,49 2.859,50 3.588,51 3.865,52 2.476,53 2.646,54 4.57,55 2.533,56 0.102,57 0.539,58 5.284,59 2.158,60 4.666,61 2.832,62 0.284,63 0.798,64 10.56,65 3.3,66 16.666,67 4.659,68 0.326,69 0.802,70 11.923,71 3.573,72 32.722,73 4.711,74 0.264,75 0.76,76 12.266,77 4.016,78 26.055,79 5.984,80 0.339,81 0.663,82 12.072,83 2.895,84 20.583,85 4.434,86 0.206,87 0.582,88 9.405,89 3.06,90 13.389,91 4.308,92 0.234,93 0.482,94 9.783,95 2.96,96 22.083,97 4.186,98 0.199,99 0.355,100 8.575,101 2.552,102 18.305,103 3.783,104 12,105 30,106 0.312,107 0.711,108 0.841,109 0.865,110 0.865,111 0.865,112 3.01,113 0.821,114 -3.1,115 -3.1,116 -2.98,119 38.7,120 1,124 1,142 2,143 2,145 1,150 1,151 2,158 1,161 1,166 2,172 3,174 2,175 6,178 3,180 1,183 2,187 7,190 1,195 1,198 2,199 7,204 1,211 3,212 4,217 2,223 2,224 1,229 1,232 1,236 2,237 2,245 2,250 1,253 2,258 1,275 378,276 12.618,277 12.618,278 12.618,279 12.618,280 12.618,281 10.719,282 10.002,283 7.387,284 12.877,285 10.409,286 10.409,287 10.409,288 10.409,289 10.409,290 7.504,291 12.259,292 3.576,293 10.861,294 3.276,295 1.133,296 0.436,297 0.307,298 0.307,299 0.307,300 3.686,304 1,305 1,306 343,307 2.646,310 87.404,311 45.657,314 71.184,318 1.496,319 15.09,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 42,331 160,332 4.518,333 3.536,334 6.344,335 4.021,336 3.067,337 4.454,338 1.907,339 9.802,340 2.942,341 4.2,342 3.063,343 6.075,344 3.766,345 2.808,346 3.85,347 0.149,348 8.899,349 2.673,350 3.709,351 2.818,352 5.266,353 3.323,354 2.359,355 3.099,357 6.672,358 2.274,359 3.52,360 2.32,361 5.038,362 3.114,363 2.144,364 2.796,366 5.994,367 2.069,368 3.162,369 2.043,370 4.439,371 2.694,372 1.721,373 2.373,375 4.386,376 1.656,377 3.011,378 1.524,379 4.372,380 2.475,381 1.518,382 2.245,384 4.343,385 1.449,386 2.683,387 1.297,388 4.098,389 2.212,390 1.238,391 1.758,393 3.404,394 1.204,395 2.187,396 0.71,397 3.27,398 1.636,399 0.7,400 1.036,402 1.688,403 0.654,404 1.888,405 0.585,406 3.158,407 1.358,408 0.394,409 0.587,411 1.047,412 0.379,413 1.097,414 0.395,415 2.603,416 0.719,417 -0.235,418 -0.282,420 -0.646,421 -0.222,422 0.768,423 -0.021,424 2.478,425 0.324,426 -0.619,427 -0.772,428 -1.634,429 -0.58,430 0.582,431 -0.49,432 2.174,433 0.121,434 -0.832,435 -1.071,436 -2,437 -0.783,438 0.43,439 -0.709,440 1.703,441 0.09,442 -0.931,443 -1.295,445 -2.165,446 -0.899,447 0.376,448 -0.902,449 1.641,450 0.033,451 -1,452 -1.422,454 -2.746,455 -1.092,456 0.029,457 -1.181,458 1.6,459 -0.426,460 -1.386,461 -1.824,463 -3.995,464 -1.32,465 8.733,466 0.46,467 0.558,468 0.029,469 27.25,470 1.434,471 14,472 0.737,473 13.25,474 0.697,475 11.054,476 0.582,477 20.067,478 0.647,479 17.727,480 0.933,481 5.534,482 0.291,483 3.58,484 0.188,485 0.153,487 0.378,493 0.702,494 1.446,495 0.669,496 1.147,497 0.594,498 0.938,499 0.736,500 1.047,501 0.665,502 0.818,503 0.495,504 0.73,505 1.451,506 1.034,507 1.224,508 0.942,509 1.509,510 1.022,511 0.632,512 1.315,513 0.901,514 1.216,515 0.462,516 1.129,517 1.061,518 0.829,519 1.016,520 0.738,521 0.801,522 0.819,523 0.906,524 1.047,525 1.068,526 1.161,527 0.708,528 1.143,529 1.12,530 1,531 1.082,532 1.14,533 1.352,534 1.126,535 0.827,536 0.677,537 1.03,538 0.967,539 0.982,540 1.038,541 5,542 0.073,543 1.778,544 1.451,545 0.823,546 0.667,547 0.334,548 0.203,549 0.137,550 0.06,551 3297,552 10213,553 2.081,554 38.7,556 5,557 2,558 1,559 1,560 3,564 1.6,565 1.932,566 3.085,567 -0.146,569 1,571 1,573 52.031,574 1.678,575 3.821,576 4.518,577 4.647,578 4.647,579 4.647,580 2.576,581 3.827,582 4.215,583 3.202,584 547.577,585 7.169,586 5305.11,587 1,588 1,591 153.58,592 1.462,593 4.171,594 0.238,595 0.015,596 0.059,597 0.058,598 0.036,599 0.033,600 0.02,601 0.016,602 0.017,603 0.009,604 0.5,605 0.67,606 1,607 1.091,608 82.327,609 0.049,610 -0.228,611 0.072,612 -0.152,613 -0.076,614 -0.061,615 0.153,616 0.068,617 0.201,618 0.123,619 0.164,620 0.164,621 -0.395,622 0.028,623 -0.339,624 0.011,625 -0.362,626 -0.126,627 0.143,628 -0.328,629 0.024,630 -0.214,631 0.192,632 -0.137,633 -0.085,634 0.166,635 -0.029,636 0.149,637 -0.066,638 0.098,639 -0.055,640 -0.036,641 -0.149,642 -0.185,643 0.034,644 -0.183,645 -0.052,646 -0.103,647 -0.068,648 -0.161,649 -0.099,650 -0.132,651 0.078,652 0.151,653 0.047,654 0.033,655 -0.044,656 0.029,657 1.858,658 3.97,659 0.737,660 14.521,661 1.019,662 1.143,663 1.872,664 3.504,665 0.67,666 3.091,667 3.434,668 3.664,669 3.97,670 4.111,671 4.234,672 4.382,673 4.477,674 4.477,675 4.443,676 5.017,677 0.659,678 256.3,679 3.091,680 4.635,681 5.476,682 6.365,683 7.229,684 8.121,685 8.996,686 9.889,687 10.77,688 11.663,689 19.4,696 1,697 2,699 3,703 1,704 5,705 3,709 3,710 1,711 15,731 31,733 16,735 21,737 33,738 12,739 9,746 3,747 4,752 1,761 10,762 2,766 1,771 1,775 1,778 1,781 12,782 5,783 1,784 7,790 6,794 0.667,795 1,803 1,805 1,811 2,812 1,815 1,826 1,840 2,844 2,848 19,855 1,867 1,870 3.2,873 1,877 9.833,878 6.333,879 4.056,880 1.687,881 2.94,882 1.442,883 1.001,884 2.8,885 9.593,886 3.418,887 4.086,888 4.684,889 5.359,890 5.82,891 6.266,892 6.773,893 7.223,894 7.461,895 7.745,896 0.833,897 25,898 6.936,900 2.904,901 7.86,902 12.979,904 10.273,905 2.36,906 44.833,907 0.001,910 129.482,911 78.007,912 71.063,914 25.145,917 78.007,918 154.627,919 71.063,920 17.222,921 18.011,922 37.047,923 93.448,924 18.359,925 25.441,926 94.169,928 129.482,929 149.069,930 25.145,933 129.482,934 25.145,937 42.438,938 56.52,939 50.112,941 129.482,942 96.208,943 78.007,946 129.482,947 14.69,948 66.257,949 18.011,950 75.256,951 129.482,952 96.208,953 78.007,955 0.588,956 0.318,957 0.178,958 0.094,959 16,960 7,961 0.061,962 2,963 1,964 1.143,965 3.183,966 140.364,967 0.143,968 14,969 78.711,974 11.871,975 4.481,976 2.35,977 0.677,978 93.267,979 9.351,980 12.516,984 2.289,985 1.74,986 18.011,987 303.696,988 29.5,993 10.97,997 -0.191,999 31.589,1000 35.445,1001 0.339,1002 0.771,1003 0.912,1004 0.938,1005 0.938,1006 0.938,1007 4.642,1008 0.7,1009 5.476,1010 3.404,1011 4.111,1012 4.771,1013 1.953,1014 6.275,1015 4.027,1016 5.882,1017 0.394,1018 7.024,1019 1.688,1020 3.761,1021 4.677,1022 1.593,1023 7.096,1024 3.649,1025 7.203,1026 -0.235,1027 8.662,1028 1.047,1029 5.694,1030 7.048,1031 2.904,1032 10.171,1033 5.521,1034 8.559,1035 -0.619,1036 10.352,1037 -0.646,1038 6.111,1039 7.771,1040 3.032,1041 11.803,1042 5.905,1043 9.942,1044 -0.832,1045 12.075,1046 -1.634,1047 7.548,1048 9.618,1049 4.037,1050 14.376,1051 7.288,1052 11.345,1053 -0.931,1054 13.822,1055 -2,1056 8.323,1057 10.735,1058 4.409,1059 16.361,1060 8.024,1061 12.766,1062 -1,1063 15.586,1064 -2.165,1065 9.558,1066 12.365,1067 5.25,1068 18.745,1069 9.211,1070 3.067,1071 -1.386,1072 17.364,1073 -2.746,1074 10.504,1075 13.675,1076 5.75,1077 20.885,1078 10.115,1079 2.808,1080 9.802,1081 19.153,1082 -3.995,1083 11.655,1084 15.214,1085 6.501,1086 23.194,1087 11.222,1088 2.359,1089 8.899,1090 20.951,1091 4.454,1092 12.683,1093 16.614,1094 7.068,1095 25.403,1096 12.207,1097 2.144,1098 6.672,1099 22.755,1100 3.85,1101 13.801,1102 18.117,1103 7.771,1104 27.684,1105 13.283,1106 1.721,1107 5.994,1108 24.565,1109 3.099,1110 14.868,1111 19.561,1112 8.374,1113 29.924,1114 14.307,1115 1.518,1116 4.386,1117 26.379,1118 2.796,1119 15.976,1120 21.05,1121 9.051,1122 32.195,1123 15.373,1124 1.238,1125 4.343,1126 28.197,1127 2.373,1128 17.062,1129 22.515,1130 9.674,1131 34.45,1132 16.417,1133 3253,1134 5838,1135 13.929,1136 20.773,1137 32.474,1138 32.506,1139 32.69,1140 31.885,1141 31.898,1142 44.398,1143 4.112,1144 92.471,1145 30.6,1146 5.254,1147 5.536,1148 5.633,1149 5.075,1150 5.067,1151 7.454,1152 3.306,1153 16.324,1154 4.903,1155 9.38,1156 1.546,1157 1.548,1158 1.557,1159 1.518,1160 1.519,1161 2.114,1162 0.196,1163 4.403,1164 1.457,1165 4.12,1166 4.176,1167 4.095,1168 3.953,1169 7.43,1170 3.979,1171 3.87,1172 3.943,1173 3.83,1174 3.641,1175 5.158,1176 3.68,1177 3.571,1178 3.621,1179 3.488,1180 3.337,1181 4.937,1182 3.365,1183 3.261,1184 3.329,1185 3.173,1186 3.055,1187 4.318,1188 3.076,1189 3.023,1190 3.116,1191 2.839,1192 2.833,1193 3.903,1194 2.822,1195 2.86,1196 2.946,1197 2.706,1198 2.665,1199 3.858,1200 2.662,1201 2.66,1202 2.769,1203 2.443,1204 2.356,1205 3.725,1206 2.369,1207 2.384,1208 2.493,1209 2.18,1210 2.156,1211 3.47,1212 2.143,1213 0.215,1214 0.168,1215 0.302,1216 0.191,1217 0.146,1218 4.518,1219 0.212,1220 3.536,1221 0.091,1222 6.344,1223 0.467,1224 4.021,1225 0.14,1226 3.067,1227 4.454,1228 1.907,1229 9.802,1230 2.942,1231 1.913,1232 1.878,1233 1.989,1234 2.059,1235 1.109,1236 2.038,1237 1.523,1238 1.468,1239 1.734,1240 1.806,1241 0.775,1242 1.779,1243 1.496,1244 1.418,1245 1.725,1246 1.802,1247 0.732,1248 1.775,1249 1.345,1250 1.284,1251 1.484,1252 1.508,1253 0.557,1254 1.502,1255 1.167,1256 1.089,1257 1.325,1258 1.457,1259 0.27,1260 1.434,1261 0.801,1262 0.718,1263 1.076,1264 1.08,1265 0.079,1266 1.087,1267 0.735,1268 0.633,1269 1.062,1270 1.043,1271 0.049,1272 1.071,1273 0.639,1274 0.554,1275 0.871,1276 0.887,1278 0.89,1279 3.761,1281 5.094,1282 3.045,1283 6.589,1284 5.352,1285 8.165,1286 7.391,1287 9.789,1289 3.291,1296 2.559,1305 20.424,1306 52.031,1307 118.461,1308 140.07,1309 144.07,1310 144.07,1311 144.07,1312 20.741,1313 6.653,1314 77.11,1315 77.11,1316 16,1317 12.192,1318 4.087,1319 3.248,1320 27.905,1321 58,1322 51,1323 0.251,1324 127.969,1325 202.69,1326 304.003,1327 5743,1329 13.405,1330 0.706,1331 0.554,1332 13.405,1333 10.531,1334 9.114,1335 0.434,1336 0.274,1337 5.619,1338 8.576,1339 5.443,1340 4.561,1341 9.114,1342 5.747,1343 8.739,1344 0.291,1345 0.141,1346 8.739,1347 4.24,1348 6.659,1349 0.175,1350 0.07,1351 6.659,1352 2.657,1353 5.881,1354 0.113,1355 0.035,1356 5.881,1357 1.835,1358 4.331,1359 0.072,1360 0.019,1361 4.331,1362 1.115,1363 0.386,1364 58.213,1365 0.268,1366 18.964,1367 0.705,1368 102,1369 336.294,1370 116.481,1371 325.793,1372 449.82,1373 304,1374 119,1375 347.335,1376 133.79,1377 347.763,1378 501.72,1379 325,1380 4.2}
{0 CHEMBL2064498,1 1.799,2 7.778,3 1.827,4 3.338,5 71.554,6 9.226,7 0.75,8 3.482,9 3.588,10 3.298,11 3.099,12 4.682,13 3.07,14 3.941,15 4.084,16 3.627,17 3.441,18 5.19,19 3.4,20 4.04,21 4.218,22 3.421,23 3.379,24 5.222,25 3.334,26 3.981,27 4.177,28 3.439,29 3.333,30 5.191,31 3.266,32 3.915,33 4.125,34 3.308,35 3.202,36 5.024,37 3.123,38 3.737,39 3.946,40 3.135,41 3.065,42 4.848,43 2.974,44 3.504,45 3.679,46 2.922,47 2.819,48 4.736,49 2.73,50 3.296,51 3.545,52 2.389,53 2.457,54 4.276,55 2.323,56 0.069,57 0.471,58 4.001,59 2.328,60 3.983,61 2.449,62 0.208,63 0.742,64 9.716,65 4.158,66 12.629,67 4.473,68 0.264,69 0.748,70 10.491,71 4.046,72 29.322,73 4.106,74 0.226,75 0.708,76 9.709,77 4.032,78 23.346,79 4.827,80 0.246,81 0.681,82 12.26,83 3.841,84 15.998,85 4.04,86 0.158,87 0.546,88 9.966,89 3.459,90 11.38,91 3.865,92 0.134,93 0.411,94 6.538,95 2.641,96 17.099,97 2.777,98 0.118,99 0.312,100 6.739,101 2.294,102 13.227,103 2.857,104 7,105 28,106 0.342,107 0.716,108 0.835,109 0.881,110 0.881,111 0.881,112 2.961,113 0.95,114 -3.82,115 -3.78,116 -3.59,119 42.9,120 1,142 3,143 2,150 1,151 3,158 1,161 1,166 1,172 4,174 2,175 4,178 3,180 1,183 5,187 5,190 1,195 3,198 2,199 6,204 1,207 2,211 1,212 4,217 2,220 1,224 3,229 1,232 1,237 3,242 1,245 2,250 1,255 1,258 1,263 1,271 1,275 328,276 12.171,277 12.171,278 12.171,279 12.171,280 12.171,281 10.296,282 6.839,283 7.251,284 12.561,285 9.926,286 9.926,287 9.926,288 9.926,289 9.926,290 7.093,291 9.759,292 3.498,293 10.544,294 3.009,295 1.036,296 0.411,297 0.17,298 0.17,299 0.17,300 3.637,304 1,305 1,306 302,307 2.55,310 80.938,311 42.451,314 65.948,318 1.444,319 13.144,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 39,331 140,332 4.514,333 3.536,334 6.337,335 4.01,336 3.06,337 4.453,338 1.907,339 9.779,340 2.921,341 4.128,342 3.052,343 6.046,344 3.711,345 2.749,346 3.733,347 0.149,348 8.777,349 2.627,350 3.663,351 2.742,352 5.257,353 3.29,354 2.318,355 2.979,357 6.615,358 2.25,359 3.327,360 2.144,361 4.539,362 2.807,363 1.852,364 2.63,366 4.705,367 1.753,368 3.103,369 1.734,370 4.394,371 2.581,372 1.642,373 2.344,375 4.384,376 1.528,377 2.994,378 1.52,379 4.316,380 2.462,381 1.507,382 2.201,384 4.094,385 1.432,386 2.373,387 0.908,388 3.315,389 1.783,390 0.898,391 1.313,393 2.102,394 0.774,395 2.118,396 0.618,397 3.13,398 1.501,399 0.618,400 0.927,402 1.372,403 0.531,404 1.879,405 0.585,406 3,407 1.335,408 0.381,409 0.571,411 1.009,412 0.362,413 1.095,414 0.381,415 2.565,416 0.715,417 -0.238,418 -0.286,420 -0.652,421 -0.224,422 0.75,423 -0.022,424 2.403,425 0.253,426 -0.69,427 -0.938,428 -1.939,429 -0.64,430 0.574,431 -0.649,432 2.136,433 0.097,434 -0.919,435 -1.283,436 -2,437 -0.888,438 0.377,439 -0.894,440 1.679,441 0.047,442 -1,443 -1.422,445 -2.726,446 -1.092,447 0.051,448 -1.181,449 1.617,450 -0.473,451 -1.369,452 -1.821,454 -3.136,455 -1.146,456 -0.081,457 -1.381,458 1.106,459 -0.52,460 -1.449,461 -1.918,463 -4.356,464 -1.349,465 8.767,466 0.487,467 0.452,468 0.025,469 26,470 1.444,471 14,472 0.778,473 12,474 0.667,475 10.732,476 0.596,477 18.233,478 0.651,479 15.501,480 0.861,481 5.051,482 0.281,483 3.669,484 0.204,485 0.095,487 0.331,493 0.7,494 1.133,495 0.664,496 0.829,497 0.584,498 0.791,499 0.532,500 0.972,501 0.915,502 0.993,503 0.475,504 0.878,505 1.463,506 0.981,507 0.979,508 0.82,509 1.49,510 0.976,511 0.682,512 1.075,513 0.719,514 0.823,515 0.476,516 0.953,517 1.099,518 1.041,519 1.186,520 1.021,521 0.812,522 0.983,523 1.003,524 0.957,525 1.006,526 0.979,527 0.7,528 0.954,529 1.42,530 1.121,531 1.007,532 1.091,533 1.767,534 1.177,535 0.999,536 0.9,537 0.832,538 0.935,539 1.142,540 1.073,541 4,542 0.04,543 1.556,544 1.132,545 0.663,546 0.587,547 0.273,548 0.144,549 0.081,550 0.055,551 2872,552 9434,553 2.12,554 35.7,556 3,557 3,559 1,560 3,564 1.584,565 2,566 2.991,567 -0.171,569 1,571 1,573 50.367,574 1.799,575 3.771,576 4.396,577 4.638,578 4.638,579 4.638,580 2.461,581 3.725,582 4.137,583 3.114,584 476.451,585 7.014,586 4432.79,587 1,588 1,590 1,591 134.606,592 1.352,593 4.109,594 0.2,595 0.01,596 0.056,597 0.049,598 0.03,599 0.033,600 0.018,601 0.013,602 0.013,603 0.009,604 0.431,605 0.67,606 1,607 1.047,608 76.133,609 -0.001,610 -0.059,611 0.057,612 0.026,613 -0.086,614 0.011,615 0.293,616 0.097,617 -0.028,618 -0.059,619 0.162,620 -0.018,621 -0.344,622 0.01,623 -0.23,624 -0.014,625 -0.318,626 -0.118,627 0.154,628 -0.106,629 0.071,630 0.013,631 0.198,632 -0.026,633 -0.131,634 0.005,635 -0.146,636 -0.049,637 -0.093,638 -0.048,639 -0.124,640 0.008,641 0.004,642 0.007,643 0.076,644 0.042,645 -0.225,646 -0.21,647 -0.07,648 -0.139,649 -0.249,650 -0.227,651 -0.034,652 -0.075,653 0.126,654 0.004,655 -0.094,656 0.022,657 1.844,658 3.945,659 0.778,660 13.383,661 1.016,662 1.12,663 2.591,664 6.714,665 0.729,666 3.045,667 3.367,668 3.611,669 3.912,670 4.025,671 4.174,672 4.317,673 4.382,674 4.331,675 4.263,676 4.776,677 0.699,678 258.33,679 3.045,680 4.575,681 5.416,682 6.297,683 7.16,684 8.047,685 8.92,686 9.809,687 10.688,688 11.578,689 14.3,696 1,697 1,699 2,703 1,704 6,705 2,708 1,709 3,711 15,731 28,733 16,735 20,737 30,738 12,739 10,746 3,747 4,752 1,761 11,762 1,766 1,771 1,775 1,778 1,781 10,782 4,783 1,784 6,785 1,790 4,794 0.667,795 1,805 1,811 2,812 1,815 1,826 1,840 2,842 1,844 1,848 18,855 1,865 1,867 1,870 3.6,873 1,877 9,878 5.433,879 3.889,880 1.536,881 2.908,882 1.446,883 1.023,884 2.839,885 9.426,886 3.384,887 4.034,888 4.642,889 5.316,890 5.758,891 6.227,892 6.728,893 7.154,894 7.339,895 7.597,896 1,897 23,898 6.588,900 2.778,901 7.815,902 12.434,904 10.001,905 2.315,906 41.667,907 0.001,910 105.94,911 107.567,912 52.623,914 25.145,916 31.278,917 76.29,918 131.085,919 52.623,920 8.825,921 18.011,922 52.774,923 65.013,924 7.535,925 37.212,926 101.904,928 105.94,929 128.913,930 25.145,931 31.278,933 105.94,934 25.145,937 31.614,938 63.85,939 33.449,940 31.278,941 105.94,942 77.768,943 107.567,946 105.94,947 45.968,948 62.763,949 18.011,950 58.593,951 105.94,952 77.768,953 107.567,955 0.58,956 0.318,957 0.181,958 0.089,959 15,960 6,961 0.067,962 2,963 1,964 1.143,965 3.122,966 129.933,967 0.143,968 14,969 75.059,970 1,974 11.356,975 4.5,976 2.297,977 0.706,978 76.604,979 11.929,980 8.398,983 1.651,984 2.548,986 18.011,987 291.275,988 28.5,993 10.945,997 -0.177,999 28.462,1000 31.368,1001 0.374,1002 0.784,1003 0.914,1004 0.965,1005 0.965,1006 0.965,1007 4.593,1008 0.618,1009 5.398,1010 2.102,1011 4.043,1012 4.718,1013 1.953,1014 6.188,1015 3.937,1016 5.819,1017 0.381,1018 6.936,1019 1.372,1020 3.611,1021 4.543,1022 1.593,1023 7.002,1024 3.514,1025 7.13,1026 -0.238,1027 8.57,1028 1.009,1029 5.609,1030 6.983,1031 2.904,1032 10.09,1033 5.415,1034 8.479,1035 -0.69,1036 10.261,1037 -0.652,1038 5.994,1039 7.674,1040 3.032,1041 11.738,1042 5.79,1043 9.858,1044 -0.919,1045 11.988,1046 -1.939,1047 7.456,1048 9.548,1049 4.037,1050 14.309,1051 7.178,1052 11.259,1053 -1,1054 13.74,1055 -2,1056 8.219,1057 10.654,1058 4.409,1059 16.303,1060 7.913,1061 12.679,1062 -1.369,1063 15.51,1064 -2.726,1065 9.465,1066 12.296,1067 5.25,1068 18.684,1069 9.099,1070 3.06,1071 -1.449,1072 17.294,1073 -3.136,1074 10.406,1075 13.604,1076 5.75,1077 20.827,1078 10.002,1079 2.749,1080 9.779,1081 19.088,1082 -4.356,1083 11.562,1084 15.15,1085 6.501,1086 23.134,1087 11.106,1088 2.318,1089 8.777,1090 20.889,1091 4.453,1092 12.588,1093 16.553,1094 7.068,1095 25.343,1096 12.087,1097 1.852,1098 6.615,1099 22.697,1100 3.733,1101 13.708,1102 18.06,1103 7.771,1104 27.622,1105 13.159,1106 1.642,1107 4.705,1108 24.51,1109 2.979,1110 14.774,1111 19.508,1112 8.374,1113 29.861,1114 14.178,1115 1.507,1116 4.384,1117 26.327,1118 2.63,1119 15.882,1120 21.001,1121 9.051,1122 32.13,1123 15.238,1124 0.898,1125 4.094,1126 28.147,1127 2.344,1128 16.967,1129 22.469,1130 9.674,1131 34.383,1132 16.277,1133 2815,1134 5201,1135 13.523,1136 20.409,1137 30.547,1138 30.558,1139 30.269,1140 29.948,1141 30.05,1142 42.302,1143 4.112,1144 85.676,1145 28.358,1146 5.25,1147 5.536,1148 5.934,1149 5.087,1150 5.06,1151 7.453,1152 3.306,1153 16.249,1154 4.873,1155 7.353,1156 1.527,1157 1.528,1158 1.513,1159 1.497,1160 1.502,1161 2.115,1162 0.206,1163 4.284,1164 1.418,1165 4.112,1166 4.165,1167 4.228,1168 4.002,1169 7.43,1170 3.99,1171 3.803,1172 3.82,1173 4.026,1174 3.76,1175 5.152,1176 3.721,1177 3.562,1178 3.607,1179 3.501,1180 3.343,1181 4.679,1182 3.365,1183 3.215,1184 3.271,1185 3.205,1186 3.053,1187 4.262,1188 3.059,1189 2.888,1190 2.961,1191 2.817,1192 2.745,1193 3.901,1194 2.736,1195 2.685,1196 2.791,1197 2.603,1198 2.409,1199 3.832,1200 2.412,1201 2.478,1202 2.565,1203 2.42,1204 2.368,1205 3.447,1206 2.299,1207 2.302,1208 2.332,1209 2.218,1210 2.129,1211 3.247,1212 2.072,1213 0.226,1214 0.177,1215 0.317,1216 0.2,1217 0.153,1218 4.514,1219 0.223,1220 3.536,1221 0.095,1222 6.337,1223 0.489,1224 4.01,1225 0.146,1226 3.06,1227 4.453,1228 1.907,1229 9.779,1230 2.921,1231 1.913,1232 1.879,1233 1.989,1234 2.057,1235 1.109,1236 2.036,1237 1.522,1238 1.467,1239 1.734,1240 1.805,1241 0.732,1242 1.775,1243 1.42,1244 1.384,1245 1.558,1246 1.534,1247 0.651,1248 1.546,1249 1.297,1250 1.307,1251 1.334,1252 1.457,1253 0.541,1254 1.436,1255 1.167,1256 1.091,1257 1.226,1258 1.284,1259 0.272,1260 1.387,1261 0.799,1262 0.717,1263 1.062,1264 1.07,1265 0.079,1266 1.08,1267 0.664,1268 0.6,1269 0.867,1270 0.887,1272 0.894,1273 0.337,1274 0.264,1275 0.567,1276 0.708,1278 0.687,1279 3.714,1281 5.03,1282 3.045,1283 6.518,1284 5.283,1285 8.091,1286 7.286,1287 9.715,1289 1.433,1296 2.569,1305 19.568,1306 50.367,1307 105.586,1308 123.096,1309 129.851,1310 129.851,1311 129.851,1312 18.912,1313 6.518,1314 59.29,1315 87.53,1316 16,1317 12.109,1318 4.087,1319 3.248,1320 25.809,1321 52,1322 46,1323 0.258,1324 125.511,1325 199.2,1326 298.007,1327 4834,1329 12.535,1330 0.696,1331 0.58,1332 12.889,1333 10.439,1334 8.72,1335 0.436,1336 0.317,1337 5.389,1338 7.863,1339 5.158,1340 4.293,1341 9.22,1342 6.331,1343 8.105,1344 0.289,1345 0.165,1346 8.603,1347 4.629,1348 6.324,1349 0.176,1350 0.088,1351 6.838,1352 3.157,1353 5.631,1354 0.115,1355 0.048,1356 6.227,1357 2.358,1358 3.926,1359 0.071,1360 0.023,1361 4.252,1362 1.276,1363 0.395,1364 59.699,1365 0.272,1366 18.044,1367 0.731,1368 96,1369 305.864,1370 125.954,1371 318.823,1372 437.16,1373 298,1374 112,1375 316.282,1376 137.715,1377 330.743,1378 479.09,1379 310,1380 6.7}
{0 CHEMBL2064499,1 1.705,2 9.19,3 0.998,4 0.996,5 76.903,6 8.333,7 0.696,8 3.668,9 3.783,10 3.331,11 3.144,12 4.899,13 3.174,14 4.141,15 4.307,16 3.672,17 3.474,18 5.388,19 3.499,20 4.239,21 4.4,22 3.624,23 3.549,24 5.461,25 3.546,26 4.249,27 4.448,28 3.551,29 3.506,30 5.439,31 3.471,32 4.232,33 4.47,34 3.437,35 3.386,36 5.335,37 3.364,38 4.066,39 4.257,40 3.318,41 3.31,42 5.216,43 3.273,44 3.987,45 4.189,46 3.154,47 3.147,48 5.173,49 3.099,50 3.862,51 4.13,52 2.836,53 2.905,54 4.868,55 2.821,56 0.099,57 0.554,58 5.578,59 2.58,60 5.277,61 3.1,62 0.337,63 0.82,64 11.367,65 4.064,66 21.919,67 5.062,68 0.382,69 0.875,70 12.474,71 4.332,72 34.844,73 5.188,74 0.293,75 0.869,76 13.185,77 4.715,78 27.286,79 6.544,80 0.398,81 0.808,82 14.817,83 4.025,84 28.012,85 5.678,86 0.286,87 0.692,88 11.12,89 3.972,90 17.099,91 5.133,92 0.279,93 0.6,94 10.912,95 3.828,96 25.728,97 5.016,98 0.279,99 0.491,100 11.384,101 3.361,102 22.688,103 4.927,104 15,105 32,106 0.31,107 0.703,108 0.839,109 0.875,110 0.875,111 0.875,112 3.103,113 0.82,114 -3.02,115 -3.02,116 -2.91,119 41.2,120 1,124 1,142 3,143 2,144 1,145 2,150 1,151 1,158 1,161 1,166 1,172 4,174 2,175 6,178 3,180 1,183 3,186 1,187 8,190 1,195 2,198 2,199 8,204 1,207 1,211 2,212 5,217 2,223 2,224 3,229 1,232 1,236 2,237 2,242 1,245 2,249 1,250 1,253 1,258 1,263 1,266 1,271 1,275 521,276 14.196,277 14.196,278 14.196,279 14.196,280 14.196,281 12.219,282 11.153,283 8.376,284 14.611,285 11.336,286 11.336,287 11.336,288 11.336,289 11.336,290 8.26,291 14.41,292 3.95,293 11.926,294 3.383,295 1.229,296 0.478,297 0.28,298 0.28,299 0.28,300 3.784,304 1,305 1,306 410,307 2.828,310 44.827,311 115.766,314 80.006,318 1.551,319 18.569,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46.5,331 193,332 4.516,333 3.536,334 6.343,335 4.018,336 3.064,337 4.453,338 1.907,339 9.8,340 2.939,341 4.183,342 3.07,343 6.072,344 3.758,345 2.797,346 3.815,347 0.86,348 8.899,349 2.669,350 3.736,351 2.897,352 5.307,353 3.344,354 2.39,355 3.147,356 0.149,357 6.82,358 2.283,359 3.578,360 2.568,361 5.226,362 3.199,363 2.234,364 2.843,366 6.475,367 2.139,368 3.189,369 2.104,370 4.466,371 2.718,372 1.745,373 2.398,375 4.44,376 1.68,377 3.022,378 1.581,379 4.381,380 2.484,381 1.529,382 2.273,384 4.383,385 1.457,386 2.877,387 1.514,388 4.228,389 2.377,390 1.43,391 2.033,393 3.772,394 1.35,395 2.593,396 1.124,397 3.484,398 2.048,399 1.103,400 1.637,402 2.542,403 1.038,404 1.903,405 0.935,406 3.163,407 1.377,408 0.435,409 0.613,411 1.084,412 0.399,413 1.583,414 0.589,415 2.725,416 1.284,417 0.404,418 0.479,420 0.621,421 0.36,422 1.106,423 0.41,424 2.62,425 0.725,426 -0.23,427 -0.277,428 -0.631,429 -0.217,430 0.87,431 -0.019,432 2.506,433 0.419,434 -0.531,435 -0.709,436 -1.313,437 -0.499,438 0.632,439 -0.375,440 2.202,441 0.146,442 -0.777,443 -0.998,445 -1.873,446 -0.705,447 0.586,448 -0.543,449 1.788,450 0.105,451 -0.887,452 -1.238,454 -2,455 -0.862,456 0.5,457 -0.839,458 1.66,459 0.076,460 -1,461 -1.413,463 -2.572,464 -0.958,465 9.667,466 0.46,467 0.52,468 0.025,469 31,470 1.476,471 16.5,472 0.786,473 14.5,474 0.69,475 12.3,476 0.586,477 22.133,478 0.651,479 20.891,480 0.995,481 6.361,482 0.303,483 3.791,484 0.181,485 0.138,487 0.352,493 0.789,494 1.424,495 0.671,496 1.152,497 0.623,498 0.928,499 0.93,500 0.95,501 0.723,502 0.812,503 0.622,504 0.744,505 1.29,506 1.073,507 1.124,508 0.947,509 1.416,510 0.992,511 0.649,512 1.299,513 0.924,514 1.197,515 0.501,516 1.13,517 1.03,518 0.827,519 0.999,520 0.747,521 0.791,522 0.812,523 0.972,524 1.052,525 1.094,526 1.133,527 0.726,528 1.139,529 1.014,530 1.145,531 1.088,532 1.239,533 1.262,534 1.208,535 0.772,536 0.781,537 0.918,538 0.896,539 0.783,540 0.927,541 5,542 0.07,543 1.778,544 1.479,545 0.916,546 0.775,547 0.354,548 0.256,549 0.163,550 0.09,551 4306,552 13866,553 2.074,554 38.2,556 6,557 1,558 2,559 1,560 3,564 1.63,565 1.938,566 3.208,567 -0.197,569 1,571 1,573 57.955,574 1.705,575 3.859,576 4.609,577 4.808,578 4.808,579 4.808,580 2.725,581 3.88,582 4.359,583 3.329,584 699.096,585 7.464,586 7351.63,587 1,588 1,591 172.974,592 1.418,593 4.322,594 0.217,595 0.01,596 0.056,597 0.049,598 0.034,599 0.032,600 0.017,601 0.015,602 0.014,603 0.009,604 0.453,605 0.67,606 1,607 1.142,608 94.896,609 -0.032,610 -0.25,611 0.061,612 -0.155,613 -0.079,614 -0.051,615 0.058,616 0.137,617 0.151,618 0.142,619 0.094,620 0.151,621 -0.245,622 -0.001,623 -0.257,624 0.009,625 -0.299,626 -0.107,627 0.083,628 -0.277,629 -0.022,630 -0.218,631 0.148,632 -0.159,633 -0.12,634 0.179,635 -0.002,636 0.162,637 -0.066,638 0.135,639 -0.06,640 -0.045,641 -0.177,642 -0.154,643 0.003,644 -0.185,645 -0.007,646 -0.212,647 -0.113,648 -0.248,649 -0.105,650 -0.223,651 0.112,652 0.08,653 0.176,654 0.08,655 0.058,656 0.135,657 1.872,658 4.026,659 0.714,660 17.401,661 1.021,662 1.134,663 1.786,664 3.189,665 0.676,666 3.178,667 3.497,668 3.738,669 4.025,670 4.234,671 4.331,672 4.489,673 4.564,674 4.595,675 4.635,676 5.439,677 0.666,678 283.32,679 3.178,680 4.71,681 5.549,682 6.428,683 7.29,684 8.175,685 9.047,686 9.934,687 10.812,688 11.701,689 14.7,696 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,729 1,731 34,733 17,735 23,737 36,738 14,739 11,746 3,747 4,752 1,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 13,782 6,783 1,784 7,790 5,794 0.667,795 2,805 2,811 1,812 2,815 1,826 1,840 2,844 2,848 21,855 1,856 1,867 1,870 5.9,873 1,875 1,877 10.833,878 6.883,879 4.639,880 1.822,881 3.216,882 1.467,883 0.985,884 3.544,885 10.1,886 3.497,887 4.139,888 4.742,889 5.403,890 5.961,891 6.343,892 6.856,893 7.29,894 7.569,895 7.944,896 1,897 30,898 7.664,900 3.178,901 7.881,902 14.289,904 11.16,905 2.381,906 50,910 141.253,911 95.213,912 69.409,914 36.145,917 95.213,918 177.398,919 69.409,920 19.708,921 18.011,922 37.476,923 105.341,924 41.873,925 13.67,926 105.94,928 141.253,929 164.622,930 36.145,933 141.253,934 36.145,937 49.709,938 64.678,939 50.234,941 141.253,942 105.554,943 95.213,946 141.253,947 19.934,948 76.443,949 18.011,950 86.379,951 141.253,952 105.554,953 95.213,955 0.576,956 0.323,957 0.179,958 0.099,959 16,960 7,961 0.083,962 3,963 1,964 1.133,965 3.357,966 159.99,967 0.133,968 15,969 92.239,974 13.525,975 5.502,976 2.854,977 0.651,978 104.39,979 10.844,980 12.534,984 2.801,986 18.011,987 342.02,988 32,993 11.026,997 -0.205,999 34.698,1000 38.571,1001 0.335,1002 0.758,1003 0.906,1004 0.945,1005 0.945,1006 0.945,1007 4.71,1008 1.103,1009 5.533,1010 3.772,1011 4.174,1012 4.824,1013 2.143,1014 6.323,1015 4.081,1016 5.935,1017 0.435,1018 7.074,1019 2.542,1020 3.761,1021 4.677,1022 1.593,1023 7.14,1024 3.647,1025 7.248,1026 0.404,1027 8.708,1028 1.084,1029 5.746,1030 7.086,1031 2.962,1032 10.211,1033 5.564,1034 8.596,1035 -0.23,1036 10.394,1037 0.621,1038 6.111,1039 7.748,1040 3.032,1041 11.833,1042 5.9,1043 9.972,1044 -0.531,1045 12.115,1046 -0.631,1047 7.584,1048 9.64,1049 4.052,1050 14.404,1051 7.318,1052 11.369,1053 -0.777,1054 13.86,1055 -1.313,1056 8.323,1057 10.709,1058 4.409,1059 16.38,1060 8.02,1061 12.783,1062 -0.887,1063 15.622,1064 -1.873,1065 9.577,1066 12.373,1067 5.254,1068 18.762,1069 9.228,1070 3.064,1071 -1,1072 17.397,1073 -2,1074 10.501,1075 13.65,1076 5.75,1077 20.896,1078 10.111,1079 2.797,1080 9.8,1081 19.183,1082 -2.572,1083 11.661,1084 15.211,1085 6.502,1086 23.203,1087 11.229,1088 2.39,1089 8.899,1090 20.978,1091 4.453,1092 12.675,1093 16.593,1094 7.068,1095 25.409,1096 12.201,1097 2.234,1098 6.82,1099 22.779,1100 3.815,1101 13.797,1102 18.108,1103 7.771,1104 27.688,1105 13.281,1106 1.745,1107 6.475,1108 24.586,1109 3.147,1110 14.856,1111 19.542,1112 8.374,1113 29.926,1114 14.298,1115 1.529,1116 4.44,1117 26.398,1118 2.843,1119 15.963,1120 21.038,1121 9.051,1122 32.196,1123 15.365,1124 1.43,1125 4.383,1126 28.213,1127 2.398,1128 17.045,1129 22.498,1130 9.674,1131 34.45,1132 16.405,1133 4259,1134 7754,1135 15.315,1136 22.983,1137 34.537,1138 35.296,1139 35.251,1140 34.17,1141 34.263,1142 47.385,1143 5.832,1144 97.671,1145 32.628,1146 5.252,1147 5.536,1148 5.932,1149 5.066,1150 5.064,1151 7.453,1152 3.306,1153 16.299,1154 4.895,1155 10.159,1156 1.502,1157 1.535,1158 1.533,1159 1.486,1160 1.49,1161 2.06,1162 0.254,1163 4.247,1164 1.419,1165 4.113,1166 4.167,1167 4.089,1168 3.956,1169 7.43,1170 3.979,1171 3.837,1172 3.875,1173 3.797,1174 3.676,1175 5.156,1176 3.703,1177 3.573,1178 3.619,1179 3.491,1180 3.344,1181 4.947,1182 3.372,1183 3.297,1184 3.35,1185 3.205,1186 3.087,1187 4.478,1188 3.11,1189 3.175,1190 3.252,1191 3.008,1192 2.914,1193 4.311,1194 2.922,1195 2.909,1196 2.979,1197 2.797,1198 2.753,1199 3.904,1200 2.751,1201 2.742,1202 2.846,1203 2.584,1204 2.532,1205 3.868,1206 2.525,1207 2.693,1208 2.776,1209 2.519,1210 2.47,1211 3.652,1212 2.481,1213 0.196,1214 0.154,1215 0.276,1216 0.175,1217 0.133,1218 4.516,1219 0.194,1220 3.536,1221 0.083,1222 6.343,1223 0.426,1224 4.018,1225 0.128,1226 3.064,1227 4.453,1228 1.907,1229 9.8,1230 2.939,1231 1.958,1232 1.927,1233 2.032,1234 2.09,1235 1.142,1236 2.073,1237 1.699,1238 1.661,1239 1.801,1240 1.88,1241 0.84,1242 1.857,1243 1.52,1244 1.464,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.198,1250 1.133,1251 1.554,1252 1.499,1253 0.566,1254 1.517,1255 1.166,1256 1.084,1257 1.336,1258 1.457,1259 0.296,1260 1.437,1261 0.909,1262 0.847,1263 1.079,1264 1.123,1265 0.165,1266 1.109,1267 0.781,1268 0.697,1269 1.054,1270 1.029,1271 0.079,1272 1.053,1273 0.671,1274 0.591,1275 0.954,1276 0.915,1278 0.935,1279 3.85,1281 5.165,1282 2.398,1283 6.666,1284 4.727,1285 8.253,1286 6.823,1287 9.888,1289 3.014,1296 2.557,1297 5.167,1305 22.644,1306 57.955,1307 131.199,1308 156.709,1309 163.464,1310 163.464,1311 163.464,1312 25.237,1313 6.884,1314 81.41,1315 81.41,1316 17,1317 12.233,1318 4.17,1319 3.322,1320 32.251,1321 69,1322 63,1323 0.24,1324 141.428,1325 232.44,1326 336.844,1327 7916,1329 14.82,1330 0.706,1331 0.551,1332 14.82,1333 11.569,1334 10.152,1335 0.441,1336 0.273,1337 6.148,1338 9.567,1339 5.964,1340 4.995,1341 10.152,1342 6.29,1343 9.261,1344 0.289,1345 0.139,1346 9.261,1347 4.451,1348 7.325,1349 0.179,1350 0.071,1351 7.325,1352 2.901,1353 6.333,1354 0.115,1355 0.036,1356 6.333,1357 1.953,1358 4.998,1359 0.074,1360 0.019,1361 4.998,1362 1.265,1363 0.371,1364 64.906,1365 0.256,1366 20.788,1367 0.667,1368 110,1369 380.384,1370 125.278,1371 363.241,1372 496.77,1373 340,1374 128,1375 371.883,1376 143.06,1377 374.233,1378 540.44,1379 349,1380 5.4}
{0 CHEMBL2064500,1 1.798,2 12.9,3 1.704,4 2.902,5 112.107,6 8.802,7 0.667,8 4.002,9 4.104,10 3.846,11 3.579,12 5.172,13 3.563,14 4.502,15 4.642,16 4.139,17 3.941,18 5.909,19 3.916,20 4.7,21 4.863,22 4.126,23 4.037,24 5.937,25 3.982,26 4.759,27 4.959,28 4.096,29 3.969,30 6.057,31 3.907,32 4.631,33 4.828,34 4.074,35 3.914,36 5.871,37 3.858,38 4.628,39 4.804,40 4.031,41 3.903,42 5.956,43 3.856,44 4.564,45 4.723,46 3.925,47 3.817,48 5.927,49 3.777,50 4.495,51 4.71,52 3.747,53 3.711,54 5.71,55 3.638,56 0.152,57 0.799,58 9.734,59 4.234,60 17.269,61 4.451,62 0.49,63 1.231,64 15.793,65 6.854,66 54.642,67 7.758,68 0.47,69 1.412,70 24.726,71 9.052,72 59.916,73 9.718,74 0.72,75 1.406,76 25.079,77 8.866,78 92.332,79 10.267,80 0.478,81 1.303,82 24.745,83 8.284,84 39.961,85 9.187,86 0.517,87 1.248,88 25.411,89 8.487,90 60.261,91 8.893,92 0.585,93 1.146,94 20.567,95 7.455,96 68.005,97 7.863,98 0.511,99 1.063,100 19.751,101 6.978,102 63.742,103 8.712,104 19,105 47,106 0.299,107 0.638,108 0.784,109 0.86,110 0.869,111 0.869,112 3.44,113 0.956,114 -3.42,115 -3.4,116 -3.25,119 41.7,120 1,125 1,142 8,143 3,144 1,145 2,150 1,151 1,158 1,161 1,166 1,172 10,174 3,175 5,178 5,180 2,183 9,187 9,190 1,192 3,195 5,198 4,199 11,202 1,204 4,207 1,211 2,212 10,217 4,220 1,223 1,224 9,229 2,232 4,236 3,237 8,240 1,242 2,245 7,249 2,250 3,253 2,258 7,262 2,263 3,266 1,271 7,275 1550,276 19.988,277 19.988,278 19.988,279 19.988,280 19.988,281 16.997,282 14.934,283 11.789,284 20.387,285 16.338,286 16.338,287 16.338,288 16.338,289 16.338,290 11.739,291 18.958,292 5.661,293 17.023,294 3.787,295 1.743,296 0.865,297 0.406,298 0.349,299 0.349,300 4.134,304 1,305 1,306 836,307 3.937,310 72.857,311 290.745,314 127.189,318 2.1,319 38.301,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 66,331 387,332 4.851,333 4.685,334 7.298,335 4.304,336 3.385,337 4.705,338 1.907,339 12.435,340 3.088,341 4.511,342 3.536,343 6.337,344 4.001,345 3.052,346 4.449,347 0.522,348 9.781,349 2.904,350 4.105,351 3.049,352 6.051,353 3.696,354 2.725,355 3.692,356 0.149,357 8.805,358 2.628,359 3.889,360 2.75,361 5.347,362 3.495,363 2.501,364 3.44,366 6.964,367 2.484,368 3.663,369 2.71,370 5.259,371 3.289,372 2.314,373 2.992,375 6.626,376 2.253,377 3.389,378 2.142,379 4.914,380 2.884,381 1.903,382 2.71,384 5.388,385 1.859,386 3.148,387 1.877,388 4.458,389 2.667,390 1.696,391 2.367,393 4.386,394 1.632,395 3.01,396 1.625,397 4.379,398 2.497,399 1.52,400 2.241,402 4.34,403 1.49,404 2.923,405 1.522,406 4.225,407 2.471,408 1.498,409 2.092,411 3.571,412 1.446,413 2.737,414 1.367,415 3.647,416 2.224,417 1.247,418 1.83,420 3.129,421 1.213,422 2.58,423 1.11,424 3.492,425 2.027,426 1.087,427 1.616,428 2.503,429 1.018,430 2.5,431 1,432 3.259,433 2,434 1,435 1.5,436 2.136,437 1,438 1.903,439 0.802,440 3.247,441 1.536,442 0.586,443 0.694,445 1.376,446 0.555,447 1.824,448 0.589,449 3.161,450 1.374,451 0.41,452 0.61,454 1.081,455 0.394,456 1.107,457 0.41,458 2.709,459 0.725,460 -0.229,461 -0.277,463 -0.631,464 -0.217,465 14.233,466 0.474,467 0.854,468 0.028,469 44.75,470 1.492,471 25,472 0.833,473 19.75,474 0.658,475 20.2,476 0.673,477 31.367,478 0.653,479 35.248,480 1.175,481 8.846,482 0.295,483 5.558,484 0.185,485 0.105,486 0.059,487 0.274,493 0.575,494 1.322,495 0.763,496 1.191,497 0.638,498 0.885,499 0.564,500 1.004,501 0.828,502 0.945,503 0.535,504 0.907,505 1.131,506 1.218,507 1.254,508 1.24,509 1.09,510 1.105,511 1.119,512 1.003,513 0.95,514 0.879,515 1.163,516 0.975,517 1.027,518 1.003,519 1.13,520 1.035,521 0.847,522 0.885,523 1.353,524 1.014,525 1.268,526 1.137,527 1.299,528 0.958,529 1.407,530 1.048,531 1.179,532 1.106,533 1.652,534 1.109,535 0.899,536 0.862,537 0.839,538 0.853,539 0.975,540 0.963,541 7.5,542 0.123,543 3.333,544 2.042,545 1.404,546 1.462,547 0.64,548 0.419,549 0.359,550 0.227,551 12578,552 39841,553 2.079,554 37.5,556 10,557 1,558 2,559 2,560 3,564 1.726,565 1.946,566 3.645,567 0.309,568 1,569 1,573 86.316,574 1.798,575 3.842,576 4.72,577 5.179,578 5.236,579 5.236,580 3.127,581 4.374,582 4.873,583 3.809,584 1657.07,585 8.494,586 23400.8,588 1,590 1,591 268.078,592 1.524,593 4.832,594 0.227,595 0.005,596 0.071,597 0.045,598 0.034,599 0.036,600 0.016,601 0.012,602 0.012,603 0.008,604 0.467,605 0.33,606 1,607 0.878,608 155.712,609 0.066,610 -0.146,611 0.193,612 -0.1,613 -0.136,614 0.009,615 0.29,616 0.105,617 0.042,618 0.017,619 0.225,620 -0.02,621 -0.182,622 -0.182,623 -0.194,624 -0.169,625 -0.129,626 -0.147,627 -0.024,628 -0.027,629 0.022,630 0.065,631 -0.052,632 -0.018,633 -0.083,634 0.046,635 0.019,636 0.04,637 0.014,638 0.091,639 -0.218,640 -0.009,641 -0.116,642 -0.038,643 -0.069,644 0.016,645 -0.151,646 -0.07,647 -0.209,648 -0.123,649 -0.231,650 -0.184,651 0.046,652 0.072,653 0.07,654 0.067,655 -0.038,656 0.038,657 4.652,658 5.689,659 0.7,660 34,661 1.02,662 1.126,663 2.193,664 4.811,665 0.7,666 3.526,667 3.871,668 4.094,669 4.344,670 4.575,671 4.654,672 4.82,673 4.92,674 5.017,675 5.118,676 7.408,677 0.68,678 422.51,679 3.526,680 5.081,681 5.922,682 6.806,683 7.667,684 8.555,685 9.426,686 10.316,687 11.194,688 12.085,689 12.5,691 1,696 1,697 1,699 3,703 1,704 11,705 3,709 5,711 22,731 48,733 25,734 1,735 33,737 51,738 20,739 17,740 1,741 5,746 4,747 5,752 1,761 18,762 2,766 3,769 1,771 3,775 1,778 1,781 18,782 8,783 2,784 10,785 1,790 6,794 0.75,795 3,805 2,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 30,852 1,854 1,855 2,867 1,870 6.3,873 3,877 15.417,878 8.883,879 6.431,880 2.614,881 4.163,882 1.533,883 1.018,884 5.49,885 11.973,886 3.871,887 4.535,888 5.078,889 5.679,890 6.241,891 6.569,892 7.076,893 7.494,894 7.845,895 8.272,896 0.889,897 45,898 11.3,900 5.101,901 8.003,902 20.606,904 16.872,905 2.503,906 75.083,910 188.338,911 139.117,912 85.814,914 69.458,916 5.807,917 133.31,918 257.796,919 85.814,920 8.825,921 20.116,922 107.07,923 149.654,924 30.366,925 13.67,926 153.024,928 188.338,929 219.123,930 69.458,931 5.807,933 188.338,934 69.458,937 68.22,938 100.67,939 56.042,941 188.338,942 155.272,943 139.117,945 5.807,946 188.338,947 21.532,948 112.941,949 34.416,950 119.692,951 188.338,952 155.272,953 139.117,955 0.587,956 0.324,957 0.17,958 0.095,959 23,960 10,961 0.118,962 6,963 1,964 1.095,965 4.185,966 264.749,967 0.095,968 21,969 139.207,973 1,974 20.019,975 8.227,976 4.672,977 0.545,978 154.108,979 18.895,980 12.477,984 2.426,986 34.416,987 482.726,988 47,991 -3.736,993 36.559,997 -0.267,999 48.971,1000 54.029,1001 0.322,1002 0.688,1003 0.845,1004 0.927,1005 0.938,1006 0.938,1007 5.103,1008 1.52,1009 5.938,1010 4.386,1011 4.554,1012 5.223,1013 2.027,1014 6.77,1015 4.47,1016 6.355,1017 1.498,1018 7.515,1019 4.34,1020 4.29,1021 5.263,1022 1.593,1023 7.915,1024 4.133,1025 7.703,1026 1.247,1027 9.204,1028 3.571,1029 6.213,1030 7.561,1031 2.912,1032 10.932,1033 6.013,1034 9.094,1035 1.087,1036 10.965,1037 3.129,1038 6.758,1039 8.418,1040 3.032,1041 12.932,1042 6.457,1043 10.519,1044 1,1045 12.774,1046 2.503,1047 8.202,1048 10.237,1049 4.038,1050 15.552,1051 7.856,1052 11.971,1053 0.586,1054 14.619,1055 2.136,1056 9.105,1057 11.46,1058 4.409,1059 17.87,1060 8.647,1061 13.443,1062 0.41,1063 16.491,1064 1.376,1065 10.375,1066 13.098,1067 5.251,1068 20.392,1069 9.858,1070 3.385,1071 -0.229,1072 18.384,1073 1.081,1074 11.438,1075 14.488,1076 5.75,1077 22.828,1078 10.81,1079 3.052,1080 12.435,1081 20.294,1082 -0.631,1083 12.648,1084 16.055,1085 6.501,1086 25.332,1087 11.947,1088 2.725,1089 9.781,1090 22.216,1091 4.705,1092 13.783,1093 17.52,1094 7.068,1095 27.814,1096 12.976,1097 2.501,1098 8.805,1099 24.15,1100 4.449,1101 14.977,1102 19.061,1103 7.771,1104 30.319,1105 14.085,1106 2.314,1107 6.964,1108 26.092,1109 3.692,1110 16.145,1111 20.562,1112 8.374,1113 32.82,1114 15.151,1115 1.903,1116 6.626,1117 28.042,1118 3.44,1119 17.338,1120 22.095,1121 9.051,1122 35.33,1123 16.253,1124 1.696,1125 5.388,1126 29.997,1127 2.992,1128 18.523,1129 23.611,1130 9.674,1131 37.84,1132 17.338,1133 11973,1134 21510,1135 21.959,1136 33.614,1137 50.183,1138 51.158,1139 50.389,1140 49.86,1141 49.851,1142 69.878,1143 5.155,1144 145.039,1145 47.929,1146 5.72,1147 6.685,1148 7.1,1149 5.375,1150 5.385,1151 7.705,1152 3.306,1153 19.72,1154 5.088,1155 14.524,1156 1.521,1157 1.55,1158 1.527,1159 1.511,1160 1.511,1161 2.118,1162 0.156,1163 4.395,1164 1.452,1165 4.14,1166 4.178,1167 4.735,1168 4.071,1169 7.717,1170 4.022,1171 4.02,1172 4.025,1173 4.079,1174 3.889,1175 7.43,1176 3.877,1177 3.883,1178 3.909,1179 3.821,1180 3.827,1181 6.999,1182 3.807,1183 3.64,1184 3.661,1185 3.685,1186 3.491,1187 5.154,1188 3.472,1189 3.537,1190 3.574,1191 3.473,1192 3.321,1193 4.846,1194 3.336,1195 3.229,1196 3.293,1197 3.15,1198 3.047,1199 4.752,1200 3.062,1201 3.116,1202 3.161,1203 3.01,1204 2.968,1205 4.324,1206 2.951,1207 2.905,1208 2.974,1209 2.801,1210 2.748,1211 4.003,1212 2.749,1213 0.147,1214 0.142,1215 0.221,1216 0.13,1217 0.103,1218 4.851,1219 0.143,1220 4.685,1221 0.058,1222 7.298,1223 0.377,1224 4.304,1225 0.094,1226 3.385,1227 4.705,1228 1.907,1229 12.435,1230 3.088,1231 1.992,1232 1.983,1233 2.041,1234 2.102,1235 1.204,1236 2.104,1237 1.911,1238 1.881,1239 2.027,1240 2.011,1241 1.14,1242 2.023,1243 1.785,1244 1.778,1245 1.791,1246 1.912,1247 0.968,1248 1.926,1249 1.521,1250 1.467,1251 1.734,1252 1.805,1253 0.732,1254 1.775,1255 1.427,1256 1.414,1257 1.523,1258 1.628,1259 0.69,1260 1.642,1261 1.179,1262 1.107,1263 1.337,1264 1.457,1265 0.42,1266 1.437,1267 1.094,1268 1.053,1269 1.181,1270 1.27,1271 0.268,1272 1.306,1273 0.886,1274 0.821,1275 1.11,1276 1.11,1277 0.218,1278 1.107,1279 4.205,1281 5.541,1282 2.398,1283 7.06,1284 4.727,1285 8.66,1286 6.823,1287 10.302,1289 1.376,1295 0.185,1296 5.114,1305 32.621,1306 86.316,1307 184.415,1308 226.568,1309 248.568,1310 251.323,1311 251.323,1312 58.395,1313 7.81,1314 118.35,1315 126.73,1316 23,1317 12.616,1318 4.7,1319 3.907,1320 47.183,1321 132,1322 132,1323 0.173,1324 204.728,1325 343.36,1326 491.296,1327 28470,1329 21.14,1330 0.705,1331 0.56,1332 21.39,1333 16.796,1334 14.404,1335 0.436,1336 0.319,1337 9.02,1338 13.017,1339 8.69,1340 7.228,1341 15.225,1342 10.52,1343 13.715,1344 0.292,1345 0.177,1346 15.039,1347 8.324,1348 10.666,1349 0.181,1350 0.096,1351 11.744,1352 5.653,1353 8.823,1354 0.116,1355 0.051,1356 9.695,1357 3.851,1358 7.177,1359 0.075,1360 0.028,1361 8.087,1362 2.727,1363 0.275,1364 98.938,1365 0.213,1366 28.646,1367 0.462,1368 160,1369 529.313,1370 214.975,1371 533.911,1372 723.26,1373 492,1374 186,1375 509.878,1376 247.851,1377 550.586,1378 796.8,1379 515,1380 5.5}
{0 CHEMBL2064501,1 1.909,2 10.125,3 -0.151,4 0.023,5 88.617,6 9.116,7 0.615,8 3.783,9 3.887,10 3.671,11 3.316,12 4.988,13 3.31,14 4.28,15 4.419,16 3.908,17 3.662,18 5.818,19 3.657,20 4.466,21 4.63,22 3.811,23 3.736,24 5.761,25 3.704,26 4.439,27 4.649,28 3.825,29 3.686,30 5.691,31 3.637,32 4.377,33 4.57,34 3.756,35 3.587,36 5.733,37 3.561,38 4.281,39 4.485,40 3.643,41 3.545,42 5.502,43 3.486,44 4.212,45 4.399,46 3.549,47 3.407,48 5.533,49 3.354,50 4.134,51 4.357,52 3.373,53 3.208,54 5.42,55 3.141,56 0.173,57 0.663,58 7.871,59 3.248,60 25.32,61 3.283,62 0.49,63 0.977,64 15.344,65 5.63,66 76.033,67 6.171,68 0.625,69 1.057,70 15.342,71 5.885,72 91.379,73 6.183,74 0.475,75 1.041,76 19.626,77 6.378,78 47.173,79 8.137,80 0.599,81 0.958,82 14.931,83 4.981,84 65.446,85 5.806,86 0.372,87 0.877,88 15.221,89 5.609,90 34.492,91 6.788,92 0.418,93 0.782,94 15.749,95 5.198,96 47.854,97 5.853,98 0.517,99 0.668,100 15.898,101 4.527,102 58.922,103 5.449,104 34,105 38,106 0.337,107 0.718,108 0.844,109 0.875,110 0.875,111 0.875,112 3.228,113 0.993,114 -1.92,115 -1.98,116 -1.98,119 36.8,120 1,125 1,142 3,143 3,145 2,150 1,151 1,158 1,161 1,163 1,164 1,165 1,166 1,172 5,174 3,175 6,177 2,178 5,180 1,183 4,187 9,190 1,192 1,195 3,197 1,198 2,199 9,204 2,207 2,209 1,211 4,212 7,214 1,215 1,217 3,220 1,222 1,223 1,224 5,229 2,232 1,234 1,236 1,237 5,242 2,245 2,247 1,249 2,250 3,252 1,253 2,255 2,258 1,260 1,262 2,263 1,265 1,266 1,271 1,275 812,276 15.428,277 15.428,278 15.428,279 15.428,280 15.428,281 13.074,282 12.806,283 8.974,284 15.788,285 12.914,286 12.914,287 12.914,288 12.914,289 12.914,290 9.252,291 16.483,292 4.355,293 13.522,294 3.339,295 1.174,296 0.461,297 0.283,298 0.283,299 0.283,300 3.904,304 1,305 1,306 509,307 3.742,310 54.427,311 139.056,314 96.081,318 1.729,319 33.837,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 54,331 243,332 4.646,333 4.476,334 6.461,335 4.079,336 3.148,337 4.458,338 1.907,339 10.215,340 2.96,341 4.514,342 3.536,343 6.338,344 4.001,345 3.055,346 4.437,347 1.416,348 9.788,349 2.854,350 4.165,351 3.057,352 6.065,353 3.737,354 2.769,355 3.798,356 0.149,357 8.871,358 2.659,359 3.714,360 2.795,361 5.276,362 3.324,363 2.351,364 3.123,366 6.741,367 2.286,368 3.556,369 2.374,370 5.182,371 3.165,372 2.172,373 2.832,375 6.404,376 2.152,377 3.183,378 2.079,379 4.464,380 2.714,381 1.737,382 2.393,384 4.436,385 1.68,386 3.02,387 1.531,388 4.38,389 2.482,390 1.524,391 2.269,393 4.383,394 1.456,395 2.857,396 1.472,397 4.226,398 2.361,399 1.396,400 2.008,402 3.765,403 1.344,404 2.591,405 1.112,406 3.488,407 2.045,408 1.1,409 1.635,411 2.54,412 1.036,413 1.903,414 0.761,415 3.165,416 1.375,417 0.411,418 0.611,420 1.083,421 0.395,422 1.2,423 0.589,424 3.089,425 0.837,426 -0.101,427 -0.122,428 -0.29,429 -0.092,430 1.104,431 0.41,432 2.649,433 0.724,434 -0.23,435 -0.277,436 -0.634,437 -0.217,438 1,439 -0.019,440 2.509,441 0.408,442 -0.548,443 -0.731,445 -1.556,446 -0.52,447 0.854,448 -0.331,449 2.203,450 0.109,451 -0.881,452 -1.161,454 -2,455 -0.844,456 0.617,457 -0.538,458 2,459 0.078,460 -1,461 -1.235,463 -2.503,464 -0.902,465 11.233,466 0.468,467 0.873,468 0.036,469 35,470 1.458,471 19,472 0.792,473 16,474 0.667,475 15.811,476 0.659,477 25.967,478 0.683,479 25.662,480 1.069,481 6.79,482 0.283,483 4.509,484 0.188,485 0.169,486 0.074,487 0.303,493 0.619,494 1.387,495 0.784,496 1.253,497 0.72,498 0.887,499 0.536,500 1.067,501 1.031,502 1.149,503 0.453,504 0.923,505 1.419,506 1.01,507 1.024,508 0.819,509 1.412,510 1.056,511 0.629,512 1.16,513 0.854,514 1.035,515 0.458,516 0.962,517 1.045,518 0.872,519 0.909,520 0.754,521 0.976,522 0.953,523 0.769,524 1.063,525 0.882,526 1.023,527 0.589,528 1.036,529 1.107,530 1.2,531 1.149,532 1.24,533 1.054,534 1.169,535 1.068,536 0.859,537 1.036,538 0.939,539 1.213,540 0.995,541 7.5,542 0.163,543 2,544 1.979,545 1.156,546 0.955,547 0.638,548 0.35,549 0.258,550 0.188,551 6175,552 23713,553 2.005,554 36.8,556 5,557 1,558 2,559 3,560 3,564 1.667,565 1.834,566 3.321,567 1.162,569 1,573 72.551,574 1.909,575 4.073,576 4.787,577 4.965,578 4.965,579 4.965,580 2.757,581 4.137,582 4.553,583 3.498,584 965.476,585 7.851,586 11383.2,588 1,591 199.421,592 1.697,593 4.483,594 0.288,595 0.013,596 0.053,597 0.06,598 0.035,599 0.032,600 0.024,601 0.015,602 0.014,603 0.012,604 0.545,605 0.33,606 1,607 1.26,608 114.537,609 0.018,610 -0.14,611 0.196,612 -0.091,613 -0.18,614 0.029,615 0.292,616 0.068,617 -0.082,618 -0.093,619 0.323,620 -0.001,621 -0.398,622 -0.014,623 -0.268,624 0.043,625 -0.356,626 -0.155,627 0.08,628 -0.176,629 0.095,630 -0.056,631 0.13,632 0.065,633 -0.1,634 0.147,635 -0.105,636 0.076,637 -0.112,638 -0.059,639 -0.039,640 -0.08,641 0.023,642 -0.061,643 0.048,644 -0.02,645 -0.159,646 -0.235,647 -0.124,648 -0.208,649 -0.086,650 -0.17,651 -0.013,652 0.039,653 0.02,654 0.028,655 -0.144,656 0.013,657 4.543,658 4.207,659 0.625,660 21.958,661 1.032,662 1.137,663 0.693,664 0.48,665 0.687,666 3.296,667 3.664,668 3.807,669 4.127,670 4.317,671 4.443,672 4.615,673 4.71,674 4.736,675 4.82,676 6.11,677 0.673,678 346.41,679 3.296,680 4.86,681 5.68,682 6.581,683 7.424,684 8.325,685 9.181,686 10.081,687 10.945,688 11.844,689 15.8,693 1,696 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 38,733 19,735 26,737 40,738 14,739 11,746 3,747 4,752 1,761 12,762 2,766 3,769 1,771 3,775 1,778 1,781 14,782 8,783 3,784 10,785 1,790 6,794 0.667,795 3,805 2,811 1,812 2,815 1,826 1,840 2,842 1,844 1,848 24,849 1,852 1,854 1,855 1,867 1,870 7.9,873 3,877 13.083,878 7.05,879 5.014,880 1.933,881 3.413,882 1.477,883 1.004,884 4.221,885 10.572,886 3.638,887 4.327,888 4.784,889 5.468,890 6.017,891 6.419,892 6.941,893 7.389,894 7.663,895 8.076,896 0.857,897 33,898 9.002,900 4.069,901 8.205,902 16.164,904 13.165,905 2.705,906 64.917,910 129.482,911 88.979,912 100.7,914 69.458,916 5.807,917 83.172,918 198.94,919 100.7,920 8.825,921 18.91,922 74.575,923 149.654,924 28.816,925 13.67,926 94.169,928 129.482,929 183.872,930 69.458,931 5.807,933 129.482,934 69.458,937 50.609,938 83.029,939 56.042,941 129.482,942 170.158,943 88.979,945 5.807,946 129.482,947 18.775,948 65.56,949 18.011,950 150.983,951 129.482,952 170.158,953 88.979,955 0.594,956 0.294,957 0.166,958 0.092,959 19,960 9,961 0.1,962 4,963 1,964 1.133,965 3.564,966 192.086,967 0.133,968 15,969 108.039,973 1,974 16.367,975 6.189,976 4.087,977 0.566,978 168.994,979 10.019,980 12.368,984 2.188,986 49.302,987 388.619,988 37,991 -3.627,993 33.476,997 -0.258,999 39.204,1000 43.199,1001 0.364,1002 0.776,1003 0.912,1004 0.946,1005 0.946,1006 0.946,1007 4.883,1008 1.396,1009 5.727,1010 4.383,1011 4.344,1012 5.014,1013 2.403,1014 6.553,1015 4.253,1016 6.159,1017 1.1,1018 7.296,1019 3.765,1020 4.205,1021 5.19,1022 1.593,1023 7.636,1024 4.063,1025 7.523,1026 0.411,1027 8.964,1028 2.54,1029 6.014,1030 7.378,1031 3.269,1032 10.573,1033 5.814,1034 8.92,1035 -0.101,1036 10.687,1037 1.083,1038 6.581,1039 8.283,1040 3.032,1041 12.381,1042 6.315,1043 10.344,1044 -0.23,1045 12.443,1046 -0.29,1047 7.965,1048 10.044,1049 4.288,1050 14.9,1051 7.644,1052 11.788,1053 -0.548,1054 14.222,1055 -0.634,1056 8.838,1057 11.265,1058 4.409,1059 16.995,1060 8.443,1061 13.246,1062 -0.881,1063 16.016,1064 -1.556,1065 10.061,1066 12.864,1067 5.407,1068 19.371,1069 9.61,1070 3.148,1071 -1,1072 17.822,1073 -2,1074 11.071,1075 14.228,1076 5.75,1077 21.583,1078 10.546,1079 3.055,1080 10.215,1081 19.637,1082 -2.503,1083 12.231,1084 15.76,1085 6.594,1086 23.907,1087 11.647,1088 2.769,1089 9.788,1090 21.458,1091 4.458,1092 13.304,1093 17.19,1094 7.068,1095 26.17,1096 12.648,1097 2.351,1098 8.871,1099 23.285,1100 4.437,1101 14.44,1102 18.695,1103 7.825,1104 28.477,1105 13.723,1106 2.172,1107 6.741,1108 25.116,1109 3.798,1110 15.542,1111 20.155,1112 8.374,1113 30.76,1114 14.755,1115 1.737,1116 6.404,1117 26.951,1118 3.123,1119 16.67,1120 21.65,1121 9.081,1122 33.063,1123 15.821,1124 1.524,1125 4.436,1126 28.789,1127 2.832,1128 17.786,1129 23.125,1130 9.674,1131 35.357,1132 16.869,1133 6149,1134 12176,1135 16.701,1136 26.091,1137 39.837,1138 41.45,1139 39.961,1140 39.336,1141 39.325,1142 55.127,1143 6.945,1144 116.448,1145 37.646,1146 5.399,1147 6.476,1148 6.007,1149 5.13,1150 5.148,1151 7.458,1152 3.323,1153 16.747,1154 4.919,1155 14.264,1156 1.532,1157 1.594,1158 1.537,1159 1.513,1160 1.512,1161 2.12,1162 0.267,1163 4.479,1164 1.448,1165 4.123,1166 4.172,1167 4.716,1168 4.019,1169 7.726,1170 3.998,1171 3.988,1172 3.981,1173 4.086,1174 3.895,1175 7.43,1176 3.833,1177 3.747,1178 3.753,1179 3.771,1180 3.621,1181 6.999,1182 3.59,1183 3.564,1184 3.609,1185 3.486,1186 3.339,1187 5.154,1188 3.363,1189 3.246,1190 3.303,1191 3.178,1192 3.069,1193 4.87,1194 3.086,1195 2.938,1196 3.004,1197 2.83,1198 2.799,1199 4.806,1200 2.794,1201 2.847,1202 2.939,1203 2.726,1204 2.637,1205 4.326,1206 2.641,1207 2.733,1208 2.839,1209 2.583,1210 2.48,1211 3.904,1212 2.493,1213 0.179,1214 0.172,1215 0.248,1216 0.157,1217 0.121,1218 4.646,1219 0.171,1220 4.476,1221 0.073,1222 6.461,1223 0.393,1224 4.079,1225 0.114,1226 3.148,1227 4.458,1228 1.907,1229 10.215,1230 2.96,1231 1.981,1232 1.959,1233 2.045,1234 2.098,1235 1.221,1236 2.094,1237 1.802,1238 1.797,1239 1.843,1240 1.943,1241 1.055,1242 1.967,1243 1.55,1244 1.554,1245 1.734,1246 1.805,1247 0.732,1248 1.775,1249 1.518,1250 1.464,1251 1.45,1252 1.725,1253 0.698,1254 1.749,1255 1.179,1256 1.107,1257 1.333,1258 1.457,1259 0.29,1260 1.437,1261 0.958,1262 0.911,1263 1.137,1264 1.173,1265 0.152,1266 1.184,1267 0.795,1268 0.712,1269 1.064,1270 1.085,1271 0.079,1272 1.087,1273 0.751,1274 0.667,1275 1.017,1276 1.017,1278 1.031,1279 3.97,1281 5.323,1282 2.398,1283 6.834,1284 4.727,1285 8.421,1286 6.823,1287 10.051,1289 1.375,1293 5.061,1295 -0.286,1296 2.513,1305 25.567,1306 72.551,1307 154.792,1308 181.911,1309 188.666,1310 188.666,1311 188.666,1312 45.003,1313 7.159,1314 132.34,1315 140.72,1316 17,1317 12.374,1318 4.322,1319 3.585,1320 39.364,1321 87,1322 84,1323 0.225,1324 163.349,1325 270.74,1326 390.332,1327 11420,1329 17.32,1330 0.722,1331 0.562,1332 17.57,1333 13.487,1334 11.299,1335 0.435,1336 0.331,1337 6.903,1338 9.982,1339 6.58,1340 5.473,1341 12.225,1342 8.604,1343 11.618,1344 0.306,1345 0.18,1346 13,1347 6.841,1348 7.648,1349 0.174,1350 0.088,1351 8.099,1352 3.851,1353 7.014,1354 0.115,1355 0.047,1356 7.54,1357 2.843,1358 5.375,1359 0.073,1360 0.024,1361 5.743,1362 1.748,1363 0.352,1364 81.187,1365 0.245,1366 23.448,1367 0.616,1368 128,1369 460.293,1370 175.6,1371 465.266,1372 616.33,1373 424,1374 146,1375 427.98,1376 199.789,1377 463.506,1378 660.02,1379 429,1380 7}
{0 CHEMBL2064502,1 1.723,2 12.379,3 3.675,4 13.505,5 112.634,6 7.953,7 0.5,8 4.062,9 4.175,10 3.826,11 3.624,12 5.107,13 3.585,14 4.629,15 4.788,16 4.087,17 4.019,18 5.903,19 3.963,20 4.916,21 5.138,22 4.04,23 4.122,24 5.973,25 4.033,26 4.872,27 5.108,28 4.014,29 4.043,30 5.981,31 3.949,32 4.762,33 4.982,34 3.961,35 3.927,36 5.923,37 3.864,38 4.678,39 4.902,40 3.905,41 3.872,42 5.816,43 3.809,44 4.587,45 4.798,46 3.843,47 3.793,48 5.751,49 3.734,50 4.505,51 4.708,52 3.715,53 3.726,54 5.649,55 3.643,56 0.127,57 0.84,58 12.964,59 4.964,60 17.832,61 6.034,62 0.453,63 1.34,64 23.504,65 8.916,66 64.505,67 11.23,68 0.529,69 1.569,70 31.299,71 10.673,72 79.406,73 14.25,74 0.504,75 1.489,76 32.615,77 10.525,78 72.653,79 14.168,80 0.512,81 1.342,82 28.231,83 8.595,84 68.507,85 11.32,86 0.427,87 1.287,88 25.597,89 7.653,90 53.384,91 10.245,92 0.416,93 1.193,94 24.282,95 6.836,96 50.052,97 8.983,98 0.448,99 1.078,100 21.396,101 6.626,102 47.576,103 8.731,104 19,105 46,106 0.285,107 0.606,108 0.739,109 0.828,110 0.852,111 0.852,112 3.408,113 1.08,114 -4.38,115 -4.31,116 -4.06,119 38.5,121 5,122 1,124 1,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 13,174 3,175 4,178 5,180 3,183 14,187 7,190 1,192 4,195 9,198 2,199 13,204 5,207 4,211 1,212 14,217 4,220 2,224 15,227 1,229 2,232 2,237 10,240 1,242 2,245 4,249 2,250 5,253 1,255 1,258 7,262 2,263 2,267 1,268 1,271 9,275 1337,276 19.204,277 19.204,278 19.204,279 19.204,280 19.204,281 16.927,282 14.138,283 11.276,284 19.503,285 15.875,286 15.875,287 15.875,288 15.875,289 15.875,290 12.261,291 16.154,292 5.45,293 16.399,294 3.978,295 2.04,296 1.235,297 0.697,298 0.553,299 0.553,300 4.102,304 1,305 1,306 773,307 3.808,310 66.537,311 276.72,314 120.449,318 2.159,319 34.879,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 359,332 4.646,333 4.311,334 6.461,335 4.089,336 3.148,337 4.458,338 1.907,339 10.215,340 2.978,341 4.515,342 3.715,343 6.341,344 4.009,345 3.061,346 4.437,347 0.149,348 9.797,349 2.887,350 4.169,351 3.064,352 6.089,353 3.82,354 2.826,355 3.798,357 8.925,358 2.808,359 3.956,360 2.808,361 6.011,362 3.694,363 2.714,364 3.194,366 8.56,367 2.631,368 3.64,369 2.4,370 5.22,371 3.214,372 2.247,373 3.029,375 6.607,376 2.169,377 3.329,378 2.229,379 5.111,380 2.983,381 2.033,382 2.58,384 6.139,385 1.931,386 3.024,387 2.063,388 4.462,389 2.669,390 1.674,391 2.279,393 4.406,394 1.654,395 2.913,396 1.531,397 4.257,398 2.484,399 1.525,400 2.039,402 3.967,403 1.459,404 2.833,405 1.47,406 4.158,407 2.39,408 1.406,409 1.863,411 3.714,412 1.381,413 2.591,414 1.382,415 3.488,416 2.105,417 1.108,418 1.635,420 2.547,421 1.103,422 2.177,423 1.111,424 3.44,425 2.009,426 1,427 1.111,428 2.425,429 1.001,430 2,431 1,432 3.247,433 2,434 1,435 1,436 2.136,437 1,438 1.903,439 0.734,440 3.165,441 1.375,442 0.411,443 0.611,445 1.082,446 0.395,447 1.2,448 0.443,449 3.089,450 0.86,451 -0.101,452 -0.122,454 -0.29,455 -0.096,456 1.103,457 0.398,458 2.693,459 0.702,460 -0.271,461 -0.335,463 -0.745,464 -0.261,465 13.833,466 0.477,467 0.887,468 0.031,469 38.25,470 1.319,471 19.5,472 0.672,473 18.75,474 0.647,475 23.956,476 0.826,477 31.767,478 0.611,479 28.598,480 0.986,481 6.776,482 0.234,483 7.095,484 0.245,485 0.108,486 0.06,487 0.282,493 0.542,494 1.352,495 0.807,496 1.238,497 0.606,498 0.973,499 0.453,500 1.176,501 1.004,502 1.211,503 0.433,504 1.071,505 1.107,506 0.984,507 0.858,508 0.843,509 1.083,510 0.967,511 0.875,512 1.048,513 0.878,514 0.941,515 0.786,516 0.93,517 1.274,518 1.054,519 0.914,520 0.848,521 1.235,522 0.884,523 1.174,524 1.03,525 0.937,526 0.848,527 0.958,528 0.886,529 1.29,530 1.074,531 1.116,532 0.977,533 1.024,534 0.957,535 1.141,536 1.041,537 1.109,538 1.021,539 1.105,540 1.104,541 7.5,542 0.172,543 2.667,544 2.167,545 1.347,546 0.997,547 0.75,548 0.415,549 0.286,550 0.248,551 11587,552 32451,553 2.082,554 44.2,555 10,556 9,557 1,559 2,560 1,564 1.716,565 1.944,566 3.593,567 0.296,569 1,573 89.578,574 1.723,575 3.661,576 4.465,577 5.003,578 5.147,579 5.147,580 3.082,581 4.556,582 4.827,583 3.785,584 1536.78,585 8.39,586 21301.2,588 1,590 1,591 296.423,592 1.548,593 4.781,594 0.234,595 0.008,596 0.058,597 0.052,598 0.034,599 0.026,600 0.021,601 0.013,602 0.01,603 0.01,604 0.466,605 0.17,606 1,607 0.897,608 149.172,609 0.097,610 -0.102,611 0.205,612 -0.067,613 -0.098,614 0.024,615 0.348,616 -0.044,617 -0.051,618 -0.156,619 0.292,620 -0.092,621 -0.15,622 -0.014,623 -0.029,624 0.044,625 -0.129,626 -0.004,627 0.02,628 -0.079,629 0.065,630 0.007,631 0.053,632 0.054,633 -0.154,634 -0.059,635 0.006,636 0.054,637 -0.131,638 0.051,639 -0.175,640 0.018,641 -0.02,642 0.047,643 -0.081,644 0.039,645 -0.225,646 0.013,647 -0.125,648 -0.034,649 -0.081,650 -0.042,651 -0.093,652 0.019,653 -0.177,654 -0.087,655 -0.127,656 -0.176,657 4.263,658 5.428,659 0.724,660 32.252,661 1.01,662 1.13,663 3.146,664 9.898,665 0.671,666 3.497,667 3.85,668 4.043,669 4.331,670 4.533,671 4.615,672 4.812,673 4.949,674 5.024,675 5.159,676 7.331,677 0.638,678 413.55,679 3.497,680 5.056,681 5.889,682 6.779,683 7.628,684 8.519,685 9.378,686 10.269,687 11.134,688 12.026,689 9.6,694 1,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 52,733 19,734 1,735 32,737 55,738 20,739 12,740 2,741 4,746 4,747 5,755 5,756 1,758 5,761 13,762 7,763 1,766 3,769 1,771 3,775 1,778 1,781 23,782 7,783 2,784 9,785 1,790 5,794 0.75,795 3,805 1,811 1,812 3,815 1,826 1,840 3,842 1,844 1,848 29,852 1,854 5,855 2,858 1,867 1,870 5.8,873 3,877 14.917,878 9.433,879 6.125,880 3.196,881 3.349,882 1.428,883 1.003,884 5.572,885 11.165,886 3.784,887 4.428,888 4.895,889 5.534,890 6.07,891 6.459,892 6.988,893 7.451,894 7.741,895 8.171,896 1,897 42,898 10.923,900 4.91,901 7.905,902 20.558,904 17.435,905 2.405,906 69.75,908 1,909 1,910 247.193,911 109.022,912 69.028,914 69.458,916 5.807,917 103.215,918 316.651,919 69.028,920 7.19,921 30.683,922 71.712,923 125.731,924 10.292,925 13.67,926 235.422,928 247.193,929 172.243,930 69.458,931 5.807,933 247.193,934 69.458,937 35.462,938 86.928,939 55.661,941 247.193,942 138.486,943 109.022,945 5.807,946 247.193,947 30.12,948 74.259,949 34.416,950 102.906,951 247.193,952 138.486,953 109.022,955 0.59,956 0.314,957 0.172,958 0.092,959 23,960 10,961 0.091,962 5,963 1,964 1.095,965 4.11,966 252.501,967 0.095,968 21,969 134.881,973 1,974 19.869,975 8.132,976 4.951,977 0.623,978 137.322,979 12.619,980 8.754,984 2.475,986 34.416,987 494.702,988 43,991 -3.346,993 35.349,997 -0.014,999 52.52,1000 58.777,1001 0.302,1002 0.642,1003 0.783,1004 0.878,1005 0.903,1006 0.903,1007 5.037,1008 1.525,1009 5.911,1010 4.406,1011 4.533,1012 5.115,1013 1.953,1014 6.727,1015 4.467,1016 6.279,1017 1.406,1018 7.474,1019 3.967,1020 4.29,1021 5.223,1022 1.593,1023 7.766,1024 4.152,1025 7.627,1026 1.108,1027 9.137,1028 3.714,1029 6.184,1030 7.429,1031 2.904,1032 10.732,1033 6.038,1034 9.011,1035 1,1036 10.858,1037 2.547,1038 6.698,1039 8.313,1040 3.032,1041 12.516,1042 6.475,1043 10.426,1044 1,1045 12.613,1046 2.425,1047 8.121,1048 10.072,1049 4.037,1050 15.04,1051 7.882,1052 11.862,1053 0.411,1054 14.391,1055 2.136,1056 8.964,1057 11.286,1058 4.409,1059 17.115,1060 8.652,1061 13.315,1062 -0.101,1063 16.185,1064 1.082,1065 10.201,1066 12.88,1067 5.25,1068 19.487,1069 9.863,1070 3.148,1071 -0.271,1072 17.989,1073 -0.29,1074 11.193,1075 14.24,1076 5.75,1077 21.684,1078 10.788,1079 3.061,1080 10.215,1081 19.802,1082 -0.745,1083 12.356,1084 15.77,1085 6.501,1086 24.001,1087 11.914,1088 2.826,1089 9.797,1090 21.621,1091 4.458,1092 13.416,1093 17.197,1094 7.068,1095 26.251,1096 12.912,1097 2.714,1098 8.925,1099 23.444,1100 4.437,1101 14.55,1102 18.7,1103 7.771,1104 28.551,1105 14.001,1106 2.247,1107 8.56,1108 25.272,1109 3.798,1110 15.643,1111 20.159,1112 8.374,1113 30.826,1114 15.033,1115 2.033,1116 6.607,1117 27.102,1118 3.194,1119 16.767,1120 21.653,1121 9.051,1122 33.122,1123 16.108,1124 1.674,1125 6.139,1126 28.935,1127 3.029,1128 17.876,1129 23.127,1130 9.674,1131 35.409,1132 17.157,1133 11045,1134 18722,1135 21.266,1136 34.892,1137 48.452,1138 50.538,1139 48.579,1140 48.414,1141 48.306,1142 64.071,1143 4.112,1144 141.04,1145 46.795,1146 5.646,1147 6.311,1148 6.263,1149 5.144,1150 5.148,1151 7.458,1152 3.306,1153 16.759,1154 4.978,1155 14.437,1156 1.514,1157 1.579,1158 1.518,1159 1.513,1160 1.51,1161 2.002,1162 0.129,1163 4.407,1164 1.462,1165 4.128,1166 4.177,1167 4.716,1168 4.016,1169 7.718,1170 4.006,1171 3.984,1172 3.98,1173 4.089,1174 3.896,1175 7.428,1176 3.823,1177 3.884,1178 3.934,1179 3.796,1180 3.774,1181 6.999,1182 3.76,1183 3.776,1184 3.771,1185 3.75,1186 3.693,1187 5.152,1188 3.649,1189 3.45,1190 3.5,1191 3.367,1192 3.249,1193 4.744,1194 3.273,1195 3.221,1196 3.272,1197 3.142,1198 3.055,1199 4.314,1200 3.067,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.225,1206 2.91,1207 2.932,1208 3.004,1209 2.823,1210 2.795,1211 3.908,1212 2.793,1213 0.145,1214 0.135,1215 0.202,1216 0.128,1217 0.098,1218 4.646,1219 0.139,1220 4.311,1221 0.06,1222 6.461,1223 0.319,1224 4.089,1225 0.093,1226 3.148,1227 4.458,1228 1.907,1229 10.215,1230 2.978,1231 1.992,1232 1.969,1233 2.098,1234 2.1,1235 1.484,1236 2.097,1237 1.884,1238 1.834,1239 2.067,1240 2.033,1241 1.196,1242 2.055,1243 1.791,1244 1.784,1245 1.858,1246 1.942,1247 0.999,1248 1.964,1249 1.633,1250 1.642,1251 1.605,1252 1.758,1253 0.883,1254 1.808,1255 1.413,1256 1.353,1257 1.572,1258 1.699,1259 0.841,1260 1.657,1261 1.157,1262 1.093,1263 1.513,1264 1.392,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.348,1270 1.376,1271 0.341,1272 1.39,1273 0.97,1274 0.917,1275 1.175,1276 1.174,1277 0.244,1278 1.19,1279 4.174,1281 5.517,1282 2.398,1283 7.033,1284 4.727,1285 8.622,1286 6.823,1287 10.251,1289 1.115,1295 5.211,1296 5.312,1299 0.038,1305 33.18,1306 89.578,1307 190.349,1308 232.184,1309 260.158,1310 267.668,1311 267.668,1312 58.636,1313 7.816,1314 105.46,1315 113.84,1316 23,1317 12.559,1318 4.322,1319 3.585,1320 44.9,1321 129,1322 120,1323 0.172,1324 206.716,1325 351.18,1326 496.146,1327 28130,1329 20.433,1330 0.705,1331 0.584,1332 20.683,1333 16.945,1334 13.871,1335 0.433,1336 0.36,1337 9.669,1338 12.614,1339 9.297,1340 7.721,1341 14.798,1342 11.52,1343 13.599,1344 0.296,1345 0.2,1346 14.982,1347 9.184,1348 10.003,1349 0.179,1350 0.101,1351 10.454,1352 5.648,1353 8.769,1354 0.117,1355 0.056,1356 9.294,1357 4.215,1358 6.884,1359 0.075,1360 0.031,1361 7.251,1362 2.852,1363 0.274,1364 96.252,1365 0.217,1366 27.87,1367 0.458,1368 156,1369 473.668,1370 203.239,1371 479.01,1372 646.79,1373 440,1374 180,1375 459.3,1376 234.399,1377 493.964,1378 710.88,1379 461,1380 4}
{0 CHEMBL2064503,1 1.803,2 9.5,3 1.897,4 3.598,5 91.248,6 8.611,7 0.615,8 3.807,9 3.904,10 3.659,11 3.392,12 4.951,13 3.355,14 4.331,15 4.484,16 3.94,17 3.743,18 5.718,19 3.718,20 4.502,21 4.649,22 3.928,23 3.847,24 5.824,25 3.81,26 4.559,27 4.736,28 3.841,29 3.822,30 5.85,31 3.756,32 4.53,33 4.769,34 3.731,35 3.728,36 5.631,37 3.645,38 4.343,39 4.526,40 3.654,41 3.65,42 5.554,43 3.568,44 4.35,45 4.558,46 3.527,47 3.503,48 5.578,49 3.411,50 4.138,51 4.382,52 3.334,53 3.247,54 5.34,55 3.163,56 0.113,57 0.644,58 8.731,59 3.97,60 14.17,61 4.184,62 0.41,63 1.009,64 17.17,65 6.377,66 45.839,67 7.216,68 0.439,69 1.119,70 18.737,71 7.136,72 59.698,73 7.64,74 0.504,75 1.158,76 19.555,77 7.229,78 66.267,79 8.429,80 0.465,81 1.092,82 22.742,83 7.323,84 45.81,85 9.381,86 0.283,87 0.94,88 17.521,89 6.497,90 26.296,91 7.728,92 0.445,93 0.871,94 18.796,95 6.314,96 51.234,97 7.704,98 0.394,99 0.699,100 16.01,101 4.787,102 49.986,103 6.248,104 42,105 39,106 0.315,107 0.634,108 0.782,109 0.849,110 0.858,111 0.858,112 3.229,113 1.045,114 -4.18,115 -4.13,116 -3.9,119 40,120 1,124 2,142 6,143 2,144 1,150 1,151 1,158 1,161 1,166 1,172 7,174 6,175 5,183 8,186 1,187 9,195 6,198 2,199 12,207 4,211 1,212 11,220 2,224 8,232 2,236 2,237 8,245 2,249 2,250 3,258 1,262 2,263 3,271 2,275 752,276 15.35,277 15.35,278 15.35,279 15.35,280 15.35,281 13.121,282 10.618,283 8.649,284 15.817,285 12.808,286 12.808,287 12.808,288 12.808,289 12.808,290 9.284,291 12.272,292 4.093,293 13.613,294 3.519,295 1.692,296 0.844,297 0.457,298 0.407,299 0.407,300 3.9,303 1,304 1,305 1,306 477,307 3.873,310 53.448,311 138.045,314 95.266,318 1.667,319 32.805,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53,331 228,332 4.808,333 5.18,334 7.118,335 4.2,336 3.325,337 4.669,338 2.95,339 11.701,340 2.98,341 4.532,342 3.692,343 6.449,344 4.038,345 3.105,346 4.457,347 1.94,348 10.04,349 2.837,350 4.137,351 3.062,352 6.184,353 3.779,354 2.814,355 3.697,356 0.555,357 9.094,358 2.676,359 3.888,360 2.816,361 5.937,362 3.512,363 2.549,364 3.201,366 8.19,367 2.441,368 3.389,369 2.546,370 4.804,371 2.868,372 1.885,373 2.755,375 5.27,376 1.843,377 3.148,378 2.313,379 4.716,380 2.664,381 1.686,382 2.367,384 4.73,385 1.635,386 3.011,387 1.604,388 4.437,389 2.476,390 1.516,391 2.24,393 4.33,394 1.452,395 2.737,396 1.527,397 4.178,398 2.217,399 1.234,400 1.826,402 3.497,403 1.207,404 2.581,405 1.174,406 3.48,407 2.079,408 1.084,409 1.615,411 2.493,412 1.076,413 1.915,414 1.033,415 3.182,416 1.543,417 0.587,418 0.709,420 1.361,421 0.556,422 1.879,423 0.657,424 3.152,425 1.373,426 0.408,427 0.604,428 1.071,429 0.392,430 1,431 0.409,432 2.752,433 0.483,434 -0.488,435 -0.665,436 -1.313,437 -0.47,438 0.93,439 0.288,440 2.595,441 0.219,442 -0.736,443 -0.984,445 -2,446 -0.671,447 0.726,448 -0.123,449 2.206,450 0.134,451 -0.842,452 -1.151,454 -2.027,455 -0.789,456 0.628,457 -0.492,458 2,459 0.098,460 -1,461 -1.267,463 -2.483,464 -0.821,465 11.433,466 0.476,467 0.919,468 0.038,469 34.75,470 1.448,471 19,472 0.792,473 15.75,474 0.656,475 16.52,476 0.688,477 25.767,478 0.644,479 26.261,480 1.094,481 6.754,482 0.281,483 4.499,484 0.187,485 0.219,486 0.073,487 0.332,493 0.499,494 1.386,495 0.791,496 1.252,497 0.626,498 0.965,499 0.617,500 0.926,501 0.909,502 0.957,503 0.528,504 0.767,505 1.328,506 1.105,507 1.084,508 0.989,509 1.271,510 1.006,511 1.123,512 1.136,513 1.048,514 1.003,515 1.068,516 1.144,517 0.848,518 0.831,519 0.822,520 0.747,521 0.665,522 0.812,523 0.884,524 1.177,525 1.076,526 1.192,527 0.739,528 1.158,529 1.039,530 1.089,531 0.995,532 1.047,533 1.159,534 1.106,535 0.919,536 0.833,537 0.77,538 0.744,539 0.883,540 0.811,541 7,542 0.149,543 3.556,544 1.854,545 1.378,546 1.153,547 0.532,548 0.419,549 0.289,550 0.198,551 5917,552 20303,553 1.982,554 40,556 12,557 1,560 3,564 1.668,565 1.789,566 3.256,567 -0.658,568 1,569 1,571 1,573 72.122,574 1.803,575 3.63,576 4.478,577 4.865,578 4.915,579 4.915,580 2.705,581 4.137,582 4.556,583 3.421,584 944.187,585 7.858,586 10969.5,587 1,588 1,590 1,591 212.877,592 1.75,593 4.469,594 0.269,595 0.014,596 0.091,597 0.049,598 0.042,599 0.038,600 0.02,601 0.019,602 0.016,603 0.012,604 0.57,605 0.5,606 1,607 1.181,608 113.682,609 0.109,610 -0.191,611 0.212,612 -0.107,613 -0.134,614 -0.025,615 0.234,616 0.194,617 0.073,618 0.07,619 0.226,620 0.162,621 -0.277,622 -0.059,623 -0.21,624 -0.041,625 -0.184,626 -0.102,627 -0.159,628 -0.114,629 -0.218,630 -0.118,631 -0.134,632 -0.232,633 -0.048,634 0.141,635 0.095,636 0.156,637 0.006,638 0.181,639 -0.101,640 -0.17,641 -0.135,642 -0.193,643 -0.001,644 -0.175,645 -0.022,646 -0.163,647 -0.041,648 -0.102,649 -0.115,650 -0.122,651 0.056,652 0.092,653 0.196,654 0.159,655 0.036,656 0.184,657 4.188,658 4.706,659 0.625,660 20.444,661 1.019,662 1.126,663 2.954,664 8.725,665 0.69,666 3.296,667 3.689,668 3.912,669 4.127,670 4.369,671 4.5,672 4.644,673 4.736,674 4.82,675 4.898,676 5.859,677 0.664,678 344.43,679 3.296,680 4.875,681 5.727,682 6.627,683 7.502,684 8.401,685 9.284,686 10.183,687 11.071,688 11.97,689 10,696 1,697 1,699 2,703 1,704 7,705 2,709 4,711 16,731 40,733 19,734 1,735 26,737 42,738 16,739 12,740 2,741 4,746 3,747 4,752 1,761 13,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 16,782 6,784 8,785 1,790 4,794 0.667,795 3,805 1,811 1,812 2,815 1,827 1,840 2,842 1,844 3,848 24,851 1,859 1,867 1,870 7.5,873 3,877 13.417,878 8.3,879 5.028,880 2.141,881 3.408,882 1.476,883 0.99,884 4.058,885 10.572,886 3.638,887 4.341,888 4.888,889 5.499,890 6.081,891 6.502,892 7.009,893 7.435,894 7.785,895 8.21,896 1,897 38,898 9.006,900 4.034,901 8.08,902 16.466,904 13.505,905 2.58,906 61.917,910 188.338,911 112.604,912 37.737,914 69.458,916 6.046,917 106.558,918 257.796,919 37.737,920 24.412,921 3.124,922 71.951,923 109.326,924 9.086,925 13.67,926 176.567,928 188.338,929 144.295,930 69.458,931 6.046,933 188.338,934 69.458,937 16.728,938 94.118,939 39.494,941 188.338,942 107.195,943 112.604,945 6.046,946 188.338,947 16.241,948 94.605,950 102.906,951 188.338,952 107.195,953 112.604,955 0.608,956 0.34,957 0.16,958 0.089,959 20,960 10,961 0.071,962 3,963 1,964 1.133,965 3.472,966 196.751,967 0.133,968 15,969 108.039,973 1,974 16.468,975 5.914,976 3.294,977 0.598,978 106.031,979 12.071,980 8.57,984 2.131,987 408.136,988 37,991 -3.271,993 34.832,997 -0.16,999 40.767,1000 45.033,1001 0.339,1002 0.682,1003 0.841,1004 0.914,1005 0.924,1006 0.924,1007 4.898,1008 1.234,1009 5.79,1010 4.33,1011 4.369,1012 5.027,1013 3.223,1014 6.666,1015 4.25,1016 6.184,1017 1.084,1018 7.409,1019 3.497,1020 4.29,1021 5.223,1022 1.668,1023 7.867,1024 4.033,1025 7.56,1026 0.587,1027 9.135,1028 2.493,1029 6.094,1030 7.419,1031 5.141,1032 10.862,1033 5.81,1034 8.975,1035 0.408,1036 10.921,1037 1.361,1038 6.758,1039 8.376,1040 3.13,1041 12.812,1042 6.316,1043 10.42,1044 -0.488,1045 12.745,1046 1.071,1047 8.138,1048 10.14,1049 7.23,1050 15.403,1051 7.657,1052 11.887,1053 -0.736,1054 14.594,1055 -1.313,1056 9.096,1057 11.415,1058 4.539,1059 17.636,1060 8.464,1061 13.37,1062 -0.842,1063 16.46,1064 -2,1065 10.332,1066 13.027,1067 9.366,1068 20.106,1069 9.639,1070 3.325,1071 -1,1072 18.341,1073 -2.027,1074 11.411,1075 14.439,1076 5.912,1077 22.453,1078 10.58,1079 3.105,1080 11.701,1081 20.231,1082 -2.483,1083 12.599,1084 15.993,1085 11.519,1086 24.89,1087 11.686,1088 2.814,1089 10.04,1090 22.131,1091 4.669,1092 13.73,1093 17.467,1094 7.263,1095 27.288,1096 12.69,1097 2.549,1098 9.094,1099 24.037,1100 4.457,1101 14.904,1102 18.999,1103 13.678,1104 29.721,1105 13.769,1106 1.885,1107 8.19,1108 25.95,1109 3.697,1110 16.059,1111 20.5,1112 8.602,1113 32.143,1114 14.803,1115 1.686,1116 5.27,1117 27.868,1118 3.201,1119 17.231,1120 22.026,1121 15.84,1122 34.58,1123 15.872,1124 1.516,1125 4.73,1126 29.79,1127 2.755,1128 18.399,1129 23.54,1130 9.936,1131 37.015,1132 16.922,1133 5919,1134 11090,1135 16.414,1136 27.602,1137 40.738,1138 42.627,1139 41.273,1140 40.513,1141 40.386,1142 56.282,1143 10.892,1144 123.56,1145 38.19,1146 5.546,1147 7.18,1148 6.66,1149 5.252,1150 5.325,1151 7.669,1152 5.9,1153 18.744,1154 4.98,1155 15.281,1156 1.567,1157 1.64,1158 1.587,1159 1.558,1160 1.553,1161 2.165,1162 0.419,1163 4.752,1164 1.469,1165 4.144,1166 4.18,1167 4.735,1168 4.111,1169 7.716,1170 4.044,1171 4.019,1172 4.009,1173 4.083,1174 3.897,1175 7.428,1176 3.878,1177 3.686,1178 3.709,1179 3.712,1180 3.581,1181 6.999,1182 3.541,1183 3.585,1184 3.61,1185 3.526,1186 3.393,1187 5.144,1188 3.406,1189 3.247,1190 3.309,1191 3.16,1192 3.069,1193 4.697,1194 3.083,1195 3.069,1196 3.171,1197 2.832,1198 2.852,1199 4.291,1200 2.832,1201 2.921,1202 2.988,1203 2.803,1204 2.759,1205 3.964,1206 2.758,1207 2.783,1208 2.871,1209 2.586,1210 2.628,1211 3.889,1212 2.606,1213 0.185,1214 0.199,1215 0.274,1216 0.162,1217 0.128,1218 4.808,1219 0.18,1220 5.18,1221 0.113,1222 7.118,1223 0.45,1224 4.2,1225 0.115,1226 3.325,1227 4.669,1228 2.95,1229 11.701,1230 2.98,1231 2.022,1232 2.022,1233 2.064,1234 2.104,1235 1.256,1236 2.116,1237 1.825,1238 1.814,1239 1.856,1240 1.946,1241 1.041,1242 1.97,1243 1.585,1244 1.531,1245 1.786,1246 1.857,1247 0.824,1248 1.832,1249 1.519,1250 1.513,1251 1.582,1252 1.654,1253 0.787,1254 1.704,1255 1.213,1256 1.134,1257 1.559,1258 1.485,1259 0.603,1260 1.504,1261 1.037,1262 0.956,1263 1.248,1264 1.315,1265 0.286,1266 1.313,1267 0.948,1268 0.876,1269 1.129,1270 1.138,1271 0.205,1272 1.136,1273 0.808,1274 0.728,1275 1.054,1276 1.033,1277 0.165,1278 1.081,1279 3.97,1281 5.342,1282 2.398,1283 6.891,1284 4.727,1285 8.513,1286 6.843,1287 10.173,1289 4.22,1300 1.358,1305 26.578,1306 72.122,1307 145.187,1308 179.103,1309 194.612,1310 196.612,1311 196.612,1312 48.232,1313 7.164,1314 84.64,1315 93.02,1316 17,1317 12.495,1318 4.322,1319 3.585,1320 39.336,1321 85,1322 74,1323 0.235,1324 168.945,1325 283.34,1326 403.987,1327 11129,1329 17.483,1330 0.728,1331 0.595,1332 17.733,1333 14.28,1334 11.253,1335 0.433,1336 0.348,1337 7.211,1338 9.977,1339 6.757,1340 5.654,1341 12.147,1342 9.059,1343 11.418,1344 0.293,1345 0.193,1346 12.805,1347 7.526,1348 8.793,1349 0.179,1350 0.098,1351 9.536,1352 4.798,1353 6.68,1354 0.11,1355 0.048,1356 7.2,1357 2.898,1358 5.467,1359 0.07,1360 0.026,1361 5.955,1362 2.036,1363 0.365,1364 80.052,1365 0.247,1366 23.227,1367 0.653,1368 130,1369 438.647,1370 178.333,1371 443.039,1372 595.63,1373 406,1374 153,1375 418.865,1376 207.011,1377 454.476,1378 654.69,1379 422,1380 4}
{0 CHEMBL2064504,1 1.857,2 8.619,3 1.229,4 1.51,5 81.306,6 8.923,7 0.696,8 3.668,9 3.77,10 3.567,11 3.243,12 4.815,13 3.212,14 4.177,15 4.329,16 3.817,17 3.59,18 5.59,19 3.571,20 4.318,21 4.475,22 3.778,23 3.659,24 5.611,25 3.622,26 4.33,27 4.521,28 3.654,29 3.581,30 5.603,31 3.526,32 4.219,33 4.444,34 3.53,35 3.475,36 5.334,37 3.401,38 4.094,39 4.27,40 3.453,41 3.398,42 5.326,43 3.313,44 4.097,45 4.322,46 3.32,47 3.206,48 5.302,49 3.113,50 3.812,51 4.045,52 3.142,53 2.915,54 5.11,55 2.854,56 0.12,57 0.591,58 7.327,59 3.246,60 13.391,61 3.262,62 0.37,63 0.897,64 14.475,65 5.196,66 46.849,67 5.59,68 0.374,69 0.962,70 15.777,71 5.763,72 45.717,73 6.287,74 0.442,75 0.935,76 14.354,77 5.189,78 50.147,79 6.144,80 0.327,81 0.837,82 15.581,83 5.165,84 25.197,85 6.327,86 0.251,87 0.747,88 13.512,89 5.062,90 24.782,91 5.793,92 0.398,93 0.67,94 15.467,95 4.813,96 39.417,97 5.926,98 0.336,99 0.505,100 11.369,101 3.209,102 37.595,103 4.028,104 21,105 34,106 0.336,107 0.688,108 0.824,109 0.86,110 0.86,111 0.86,112 3.104,113 1.051,114 -3.08,115 -3.08,116 -2.96,119 38.2,124 2,142 3,143 2,144 1,145 2,150 1,151 1,161 1,166 1,172 4,174 3,175 4,178 2,183 3,187 9,190 1,195 2,198 2,199 7,204 1,207 1,211 1,212 5,217 2,223 1,224 3,229 1,236 3,237 2,242 1,249 2,253 1,262 2,275 525,276 13.806,277 13.806,278 13.806,279 13.806,280 13.806,281 11.735,282 9.477,283 7.864,284 14.35,285 11.311,286 11.311,287 11.311,288 11.311,289 11.311,290 8.022,291 12.484,292 3.673,293 12.202,294 3.23,295 1.287,296 0.537,297 0.339,298 0.339,299 0.339,300 3.778,304 1,305 1,306 384,307 3.162,310 45.505,311 114.346,314 79.2,318 1.447,319 26.097,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46.5,331 181,332 4.808,333 5.18,334 7.118,335 4.197,336 3.325,337 4.669,338 2.95,339 11.701,340 2.964,341 4.507,342 3.074,343 6.333,344 3.988,345 3.045,346 4.447,347 0.4,348 9.761,349 2.8,350 4.095,351 2.814,352 6.042,353 3.669,354 2.704,355 3.684,357 8.764,358 2.576,359 3.498,360 2.529,361 5.099,362 3.02,363 2.095,364 2.906,366 6.085,367 1.937,368 3.256,369 2.19,370 4.74,371 2.747,372 1.797,373 2.542,375 5.152,376 1.699,377 3.017,378 1.588,379 4.437,380 2.482,381 1.521,382 2.27,384 4.333,385 1.458,386 2.738,387 1.518,388 4.177,389 2.21,390 1.238,391 1.832,393 3.509,394 1.198,395 2.58,396 1.122,397 3.48,398 2.022,399 1.084,400 1.616,402 2.493,403 1.013,404 1.903,405 0.667,406 3.163,407 1.378,408 0.424,409 0.614,411 1.084,412 0.402,413 1.532,414 0.647,415 2.771,416 1.291,417 0.377,418 0.431,420 0.553,421 0.346,422 1,423 0.408,424 2.717,425 0.459,426 -0.49,427 -0.666,428 -1.295,429 -0.46,430 0.924,431 -0.123,432 2.571,433 0.192,434 -0.737,435 -0.984,436 -1.961,437 -0.658,438 0.722,439 -0.492,440 2.203,441 0.127,442 -0.843,443 -1.156,445 -2.387,446 -0.786,447 0.624,448 -0.772,449 2,451 -1,452 -1.271,454 -2.752,455 -0.818,456 0.5,457 -1,458 2,459 -0.041,460 -1,461 -1.5,463 -3,464 -0.958,465 10,466 0.476,467 0.702,468 0.033,469 31.75,470 1.512,471 17.5,472 0.833,473 14.25,474 0.679,475 12.674,476 0.604,477 22.4,478 0.659,479 21.948,480 1.045,481 6.142,482 0.292,483 3.828,484 0.182,485 0.167,486 0.083,487 0.29,493 0.558,494 1.388,495 0.801,496 1.244,497 0.677,498 0.922,499 0.751,500 0.926,501 0.991,502 0.974,503 0.574,504 0.771,505 1.234,506 1.147,507 1.038,508 1.052,509 1.261,510 1.018,511 1.124,512 1.038,513 0.917,514 0.852,515 1.048,516 1.059,517 0.888,518 0.862,519 0.893,520 0.827,521 0.601,522 0.886,523 0.928,524 1.229,525 1.151,526 1.321,527 0.919,528 1.271,529 0.974,530 1.028,531 0.949,532 1.017,533 1.194,534 1.045,535 1.025,536 0.788,537 0.797,538 0.748,539 1.09,540 0.797,541 6,542 0.062,543 2.667,544 1.604,545 1.093,546 0.851,547 0.451,548 0.275,549 0.215,550 0.16,551 4134,552 14147,553 2.034,554 38.2,556 9,557 1,558 2,559 1,564 1.631,565 1.867,566 3.113,567 -0.151,569 1,571 1,573 63.153,574 1.857,575 3.8,576 4.55,577 4.749,578 4.749,579 4.749,580 2.57,581 3.88,582 4.365,583 3.238,584 679.943,585 7.476,586 7064.42,587 1,588 1,591 172.974,592 1.691,593 4.295,594 0.261,595 0.012,596 0.078,597 0.05,598 0.04,599 0.035,600 0.021,601 0.016,602 0.015,603 0.016,604 0.547,605 0.5,606 1,607 0.988,608 94.1,609 0.092,610 -0.177,611 0.216,612 -0.095,613 -0.17,614 -0.006,615 0.152,616 0.192,617 -0.01,618 0.058,619 0.262,620 0.14,621 -0.23,622 -0.132,623 -0.159,624 -0.089,625 -0.172,626 -0.094,627 -0.158,628 -0.045,629 -0.145,630 -0.024,631 -0.12,632 -0.158,633 -0.105,634 0.12,635 0.016,636 0.091,637 0.023,638 0.094,639 -0.079,640 -0.242,641 -0.176,642 -0.289,643 -0.045,644 -0.283,645 0.091,646 -0.148,647 0.069,648 -0.051,649 -0.067,650 -0.032,651 0.12,652 0.119,653 0.211,654 0.168,655 0.066,656 0.178,657 4.2,658 4.595,659 0.714,660 14.762,661 1.023,662 1.132,663 1.853,664 3.432,665 0.695,666 3.178,667 3.555,668 3.784,669 4.025,670 4.263,671 4.331,672 4.466,673 4.564,674 4.575,675 4.615,676 5.181,677 0.671,678 303.38,679 3.178,680 4.745,681 5.595,682 6.494,683 7.366,684 8.263,685 9.143,686 10.039,687 10.922,688 11.818,689 14.7,694 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,724 1,731 34,733 18,735 23,737 36,738 13,739 11,746 3,747 4,761 11,762 2,766 2,769 1,771 2,777 1,778 1,781 13,782 6,783 1,784 8,785 1,790 5,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 2,848 21,851 1,855 1,867 1,870 5.9,873 2,877 11.25,878 6.8,879 4.472,880 1.773,881 3.344,882 1.487,883 1.012,884 3.299,885 10.216,886 3.526,887 4.245,888 4.817,889 5.443,890 6.017,891 6.389,892 6.888,893 7.321,894 7.615,895 8.018,896 0.833,897 32,898 7.869,900 3.538,901 8.012,902 14.402,904 11.822,905 2.512,906 52.75,910 141.253,911 88.74,912 69.409,914 44.313,916 6.046,917 82.694,918 185.566,919 69.409,920 15.587,922 43.522,923 137.815,924 27.181,925 13.67,926 105.94,928 141.253,929 152.103,930 44.313,931 6.046,933 141.253,934 44.313,937 22.873,938 60.985,939 74.291,941 141.253,942 113.722,943 88.74,945 6.046,946 141.253,947 11.536,948 72.322,949 18.011,950 94.547,951 141.253,952 113.722,953 88.74,955 0.598,956 0.338,957 0.17,958 0.097,959 18,960 8,961 0.083,962 3,963 1,964 1.133,965 3.263,966 163.923,967 0.133,968 15,969 90.239,973 1,974 13.835,975 5.007,976 2.694,977 0.704,978 112.558,979 10.006,980 12.488,984 2.235,986 18.011,987 343.715,988 33,991 -3.283,993 23.19,999 34.774,1000 38.491,1001 0.365,1002 0.747,1003 0.894,1004 0.933,1005 0.933,1006 0.933,1007 4.771,1008 1.084,1009 5.645,1010 3.509,1011 4.234,1012 4.931,1013 2.93,1014 6.515,1015 4.09,1016 6.057,1017 0.424,1018 7.253,1019 2.493,1020 4.111,1021 5.121,1023 7.727,1024 3.819,1025 7.436,1026 0.377,1027 8.971,1028 1.084,1029 5.953,1030 7.355,1031 5.027,1032 10.709,1033 5.634,1034 8.857,1035 -0.49,1036 10.753,1037 0.553,1038 6.594,1039 8.316,1041 12.684,1042 6.109,1043 10.309,1044 -0.737,1045 12.575,1046 -1.295,1047 7.995,1048 10.099,1049 7.185,1050 15.27,1051 7.471,1052 11.783,1053 -0.843,1054 14.426,1055 -1.961,1056 8.947,1057 11.379,1059 17.526,1060 8.265,1061 13.274,1062 -1,1063 16.296,1064 -2.387,1065 10.195,1066 12.999,1067 9.348,1068 19.998,1069 9.449,1070 3.325,1071 -1,1072 18.182,1073 -2.752,1074 11.276,1075 14.415,1077 22.363,1078 10.387,1079 3.045,1080 11.701,1081 20.079,1082 -3,1083 12.471,1084 15.973,1085 11.511,1086 24.806,1087 11.497,1088 2.704,1089 9.761,1090 21.986,1091 4.669,1092 13.606,1093 17.448,1095 27.216,1096 12.5,1097 2.095,1098 8.764,1099 23.9,1100 4.447,1101 14.785,1102 18.983,1103 13.675,1104 29.655,1105 13.58,1106 1.797,1107 6.085,1108 25.821,1109 3.684,1110 15.945,1111 20.485,1113 32.086,1114 14.615,1115 1.521,1116 5.152,1117 27.747,1118 2.906,1119 17.122,1120 22.012,1121 15.838,1122 34.529,1123 15.684,1124 1.238,1125 4.333,1126 29.678,1127 2.542,1128 18.293,1129 23.526,1131 36.971,1132 16.734,1133 4099,1134 7713,1135 14.909,1136 23.631,1137 35.175,1138 37.064,1139 35.962,1140 35.313,1141 35.221,1142 50.024,1143 6.7,1144 106.873,1145 32.783,1146 5.481,1147 7.18,1148 6.66,1149 5.251,1150 5.325,1151 7.669,1152 5.9,1153 18.743,1154 4.92,1155 11.303,1156 1.529,1157 1.611,1158 1.564,1159 1.535,1160 1.531,1161 2.175,1162 0.291,1163 4.647,1164 1.425,1165 4.135,1166 4.175,1167 4.735,1168 4.09,1169 7.716,1170 4.023,1171 4.012,1172 4.001,1173 4.076,1174 3.894,1175 6.999,1176 3.869,1177 3.636,1178 3.651,1179 3.68,1180 3.51,1181 5.16,1182 3.486,1183 3.41,1184 3.492,1185 3.307,1186 3.193,1187 4.845,1188 3.204,1189 3.106,1190 3.192,1191 2.949,1192 2.883,1193 4.374,1194 2.883,1195 2.909,1196 2.978,1197 2.801,1198 2.749,1199 4.03,1200 2.751,1201 2.739,1202 2.833,1203 2.528,1204 2.527,1205 3.9,1206 2.51,1207 2.641,1208 2.725,1209 2.486,1210 2.444,1211 3.743,1212 2.449,1213 0.209,1214 0.225,1215 0.309,1216 0.182,1217 0.145,1218 4.808,1219 0.203,1220 5.18,1221 0.128,1222 7.118,1223 0.509,1224 4.197,1225 0.129,1226 3.325,1227 4.669,1228 2.95,1229 11.701,1230 2.964,1231 1.995,1232 1.992,1233 2.032,1234 2.1,1235 1.211,1236 2.103,1237 1.816,1238 1.812,1239 1.804,1240 1.939,1241 1.039,1242 1.966,1243 1.475,1244 1.457,1245 1.7,1246 1.754,1247 0.708,1248 1.737,1249 1.437,1250 1.347,1251 1.565,1252 1.637,1253 0.694,1254 1.669,1255 1.037,1256 0.95,1257 1.246,1258 1.32,1259 0.268,1260 1.313,1261 0.907,1262 0.839,1263 1.067,1264 1.117,1265 0.169,1266 1.115,1267 0.73,1268 0.648,1269 0.978,1270 0.996,1272 1.024,1273 0.691,1274 0.606,1275 0.956,1276 0.939,1278 0.963,1279 3.85,1281 5.209,1282 2.398,1283 6.753,1284 4.727,1285 8.374,1286 6.823,1287 10.036,1289 2.906,1296 2.87,1305 22.831,1306 63.153,1307 129.199,1308 154.709,1309 161.464,1310 161.464,1311 161.464,1312 34.1,1313 6.872,1314 89.25,1315 97.63,1316 17,1317 12.345,1318 4.248,1319 3.459,1320 32.208,1321 65,1322 68,1323 0.25,1324 145.894,1325 236.29,1326 347.741,1327 7698,1329 15.035,1330 0.716,1331 0.585,1332 15.285,1333 12.294,1334 9.97,1335 0.433,1336 0.35,1337 6.214,1338 8.721,1339 5.844,1340 4.89,1341 10.864,1342 8.06,1343 9.829,1344 0.289,1345 0.194,1346 11.216,1347 6.603,1348 7.636,1349 0.178,1350 0.096,1351 8.38,1352 4.109,1353 6.118,1354 0.111,1355 0.046,1356 6.638,1357 2.533,1358 5.108,1359 0.073,1360 0.026,1361 5.595,1362 1.793,1363 0.384,1364 72.211,1365 0.259,1366 20.568,1367 0.707,1368 114,1369 383.245,1370 160.479,1371 391.915,1372 531.17,1373 360,1374 134,1375 374.581,1376 186.795,1377 410.516,1378 590.66,1379 381,1380 5.4}
{0 CHEMBL2064505,1 1.817,2 8.727,3 1.582,4 2.503,5 85.541,6 8.579,7 0.667,8 3.74,9 3.845,10 3.604,11 3.301,12 4.86,13 3.265,14 4.266,15 4.437,16 3.863,17 3.654,18 5.62,19 3.633,20 4.395,21 4.54,22 3.841,23 3.751,24 5.676,25 3.706,26 4.506,27 4.736,28 3.72,29 3.68,30 5.704,31 3.613,32 4.307,33 4.533,34 3.597,35 3.566,36 5.391,37 3.492,38 4.188,39 4.355,40 3.529,41 3.523,42 5.402,43 3.431,44 4.266,45 4.509,46 3.374,47 3.357,48 5.386,49 3.235,50 3.928,51 4.17,52 3.229,53 3.057,54 5.161,55 2.987,56 0.107,57 0.631,58 8.467,59 3.569,60 13.264,61 3.846,62 0.401,63 0.964,64 16.902,65 5.543,66 46.713,67 6.338,68 0.318,69 1.052,70 16.632,71 6.321,72 41.692,73 7.271,74 0.519,75 1.072,76 20.184,77 6.111,78 61.948,79 7.994,80 0.33,81 0.916,82 17.134,83 5.464,84 23.785,85 6.936,86 0.221,87 0.83,88 14.525,89 5.622,90 24.12,91 6.672,92 0.41,93 0.774,94 18.821,95 5.859,96 43.124,97 7.657,98 0.34,99 0.565,100 13.069,101 3.709,102 37.585,103 4.888,104 30,105 36,106 0.324,107 0.645,108 0.779,109 0.811,110 0.811,111 0.811,112 3.147,113 1.054,114 -3.35,115 -3.33,116 -3.19,119 37.8,124 3,142 3,143 2,144 1,145 2,150 1,151 1,161 1,166 1,172 4,174 5,175 4,183 3,186 1,187 9,195 2,198 2,199 8,207 1,211 1,212 7,223 1,224 4,236 3,237 3,249 3,262 2,275 598,276 14.143,277 14.143,278 14.143,279 14.143,280 14.143,281 12.096,282 9.669,283 8.007,284 14.705,285 11.851,286 11.851,287 11.851,288 11.851,289 11.851,290 8.601,291 12.27,292 3.805,293 12.804,294 3.392,295 1.589,296 0.838,297 0.656,298 0.656,299 0.656,300 3.819,303 1,304 1,305 1,306 405,307 3.464,310 47.994,311 121.985,314 84.3,318 1.479,319 26.018,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48.5,331 192,332 4.808,333 5.18,334 7.118,335 4.198,336 3.325,337 4.669,338 2.95,339 11.701,340 2.968,341 4.522,342 3.149,343 6.376,344 4.012,345 3.076,346 4.455,347 0.8,348 9.882,349 2.812,350 4.111,351 2.881,352 6.09,353 3.711,354 2.75,355 3.691,357 8.889,358 2.608,359 3.657,360 2.633,361 5.676,362 3.29,363 2.367,364 3.009,366 7.323,367 2.177,368 3.32,369 2.424,370 4.748,371 2.791,372 1.834,373 2.638,375 5.201,376 1.748,377 3.024,378 1.619,379 4.437,380 2.492,381 1.528,382 2.281,384 4.336,385 1.47,386 2.757,387 1.532,388 4.189,389 2.241,390 1.276,391 1.856,393 3.57,394 1.226,395 2.587,396 1.247,397 3.698,398 2.034,399 1.105,400 1.624,402 2.59,403 1.023,404 2.289,405 1.074,406 3.479,407 1.92,408 1,409 1.247,411 2.455,412 0.918,413 1.902,414 0.657,415 3.162,416 1.373,417 0.409,418 0.609,420 1.077,421 0.393,422 1,423 0.409,424 2.752,425 0.465,426 -0.485,427 -0.662,428 -1.31,429 -0.457,430 0.933,431 -0.123,432 2.599,433 0.195,434 -0.734,435 -0.984,436 -2,437 -0.657,438 0.727,439 -0.49,440 2.207,441 0.131,442 -0.84,443 -1,445 -2.027,446 -0.786,447 0.63,448 -0.6,449 2,451 -1,452 -1.166,454 -2.495,455 -0.816,456 0.5,457 -0.781,458 2,459 -0.041,460 -1,461 -1.272,463 -2.772,464 -0.9,465 10.5,466 0.477,467 0.83,468 0.038,469 32.5,470 1.477,471 17.5,472 0.795,473 15,474 0.682,475 14.258,476 0.648,477 23.7,478 0.641,479 23.241,480 1.056,481 6.28,482 0.285,483 4.063,484 0.185,485 0.206,486 0.079,487 0.314,493 0.53,494 1.506,495 0.8,496 1.307,497 0.668,498 0.99,499 0.816,500 0.831,501 0.953,502 0.852,503 0.556,504 0.665,505 1.191,506 1.339,507 1.067,508 1.201,509 1.245,510 1.168,511 1.119,512 0.913,513 0.85,514 0.713,515 0.994,516 0.893,517 0.954,518 0.844,519 0.916,520 0.801,521 0.585,522 0.87,523 0.901,524 1.289,525 1.169,526 1.378,527 0.91,528 1.344,529 0.862,530 1.006,531 0.898,532 1.004,533 1.073,534 1.044,535 0.949,536 0.742,537 0.731,538 0.698,539 1.005,540 0.731,541 6.5,542 0.124,543 3.111,544 1.604,545 1.378,546 0.882,547 0.506,548 0.338,549 0.24,550 0.178,551 4663,552 15150,553 2.006,554 40.5,556 12,557 1,558 2,564 1.644,565 1.821,566 3.143,567 -0.627,568 1,569 1,571 1,573 67.234,574 1.817,575 3.62,576 4.371,577 4.554,578 4.554,579 4.554,580 2.556,581 3.845,582 4.432,583 3.291,584 760.25,585 7.609,586 8217.78,587 1,588 1,590 1,591 192.75,592 1.742,593 4.35,594 0.271,595 0.018,596 0.086,597 0.047,598 0.048,599 0.034,600 0.022,601 0.019,602 0.015,603 0.015,604 0.574,605 0.5,606 1,607 1.003,608 100.493,609 0.128,610 -0.281,611 0.229,612 -0.144,613 -0.162,614 -0.044,615 0.132,616 0.298,617 0.05,618 0.171,619 0.276,620 0.253,621 -0.2,622 -0.287,623 -0.21,624 -0.23,625 -0.16,626 -0.244,627 -0.137,628 0.06,629 -0.031,630 0.107,631 -0.095,632 0.027,633 -0.146,634 0.174,635 -0.023,636 0.104,637 0.025,638 0.081,639 -0.081,640 -0.265,641 -0.233,642 -0.343,643 -0.059,644 -0.363,645 0.129,646 -0.141,647 0.091,648 -0.049,649 -0.031,650 -0.024,651 0.153,652 0.169,653 0.25,654 0.217,655 0.103,656 0.243,657 4.204,658 4.634,659 0.682,660 16.289,661 1.018,662 1.133,663 2.116,664 4.479,665 0.686,666 3.219,667 3.611,668 3.829,669 4.06,670 4.317,671 4.407,672 4.522,673 4.644,674 4.682,675 4.718,676 5.394,677 0.658,678 317.41,679 3.219,680 4.796,681 5.645,682 6.547,683 7.421,684 8.32,685 9.203,686 10.1,687 10.987,688 11.884,689 13.5,695 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,726 1,731 37,733 18,735 24,737 39,738 14,739 11,746 3,747 4,761 11,762 3,766 2,769 1,771 2,777 1,778 1,781 15,782 6,784 8,785 1,790 5,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 3,848 22,851 1,859 1,867 1,870 5.4,873 2,877 12.083,878 7.75,879 4.583,880 1.911,881 3.339,882 1.479,883 0.996,884 3.532,885 10.317,886 3.555,887 4.273,888 4.841,889 5.462,890 6.05,891 6.439,892 6.923,893 7.37,894 7.686,895 8.081,896 0.833,897 34,898 8.247,900 3.682,901 7.966,902 15.184,904 12.433,905 2.466,906 54.25,910 176.567,911 97.136,912 54.522,914 44.313,916 6.046,917 91.09,918 220.879,919 54.522,920 23.983,922 43.522,923 119.805,924 30.305,925 13.67,926 141.253,928 176.567,929 145.613,930 44.313,931 6.046,933 176.567,934 44.313,937 22.873,938 72.505,939 56.28,941 176.567,942 98.835,943 97.136,945 6.046,946 176.567,947 11.536,948 83.842,950 94.547,951 176.567,952 98.835,953 97.136,955 0.608,956 0.335,957 0.163,958 0.095,959 19,960 9,961 0.077,962 3,963 1,964 1.133,965 3.321,966 175.152,967 0.133,968 15,969 94.107,973 1,974 14.793,975 5.253,976 2.931,977 0.722,978 97.671,979 10.081,980 12.741,984 2.338,987 372.538,988 34,991 -3.287,993 23.268,999 37.658,1000 41.906,1001 0.349,1002 0.695,1003 0.839,1004 0.874,1005 0.874,1006 0.874,1007 4.812,1008 1.105,1009 5.707,1010 3.57,1011 4.29,1012 4.959,1013 2.963,1014 6.581,1015 4.143,1016 6.1,1017 1,1018 7.322,1019 2.59,1020 4.205,1021 5.156,1022 0.325,1023 7.791,1024 3.911,1025 7.478,1026 0.409,1027 9.045,1028 2.455,1029 6.014,1030 7.373,1031 5.03,1032 10.775,1033 5.689,1034 8.897,1035 -0.485,1036 10.829,1037 1.077,1038 6.673,1039 8.336,1040 0.268,1041 12.739,1042 6.185,1043 10.347,1044 -0.734,1045 12.653,1046 -1.31,1047 8.059,1048 10.113,1049 7.185,1050 15.324,1051 7.528,1052 11.819,1053 -0.84,1054 14.502,1055 -2,1056 9.016,1057 11.392,1058 0.188,1059 17.57,1060 8.33,1061 13.308,1062 -1,1063 16.37,1064 -2.027,1065 10.256,1066 13.01,1067 9.348,1068 20.039,1069 9.505,1070 3.325,1071 -1,1072 18.252,1073 -2.495,1074 11.336,1075 14.426,1076 0.125,1077 22.397,1078 10.445,1079 3.076,1080 11.701,1081 20.145,1082 -2.772,1083 12.527,1084 15.983,1085 11.511,1086 24.836,1087 11.551,1088 2.75,1089 9.882,1090 22.048,1091 4.669,1092 13.66,1093 17.458,1094 0.082,1095 27.242,1096 12.554,1097 2.367,1098 8.889,1099 23.957,1100 4.455,1101 14.837,1102 18.992,1103 13.675,1104 29.679,1105 13.632,1106 1.834,1107 7.323,1108 25.873,1109 3.691,1110 15.995,1111 20.494,1112 0.054,1113 32.106,1114 14.667,1115 1.528,1116 5.201,1117 27.795,1118 3.009,1119 17.17,1120 22.021,1121 15.838,1122 34.547,1123 15.735,1124 1.276,1125 4.336,1126 29.721,1127 2.638,1128 18.339,1129 23.535,1130 0.035,1131 36.987,1132 16.785,1133 4643,1134 8515,1135 15.315,1136 25.392,1137 37.619,1138 39.099,1139 37.945,1140 37.456,1141 37.337,1142 52.159,1143 7.5,1144 114.048,1145 34.688,1146 5.481,1147 7.18,1148 6.66,1149 5.252,1150 5.325,1151 7.669,1152 5.9,1153 18.743,1154 4.924,1155 13.08,1156 1.567,1157 1.629,1158 1.581,1159 1.561,1160 1.556,1161 2.173,1162 0.313,1163 4.752,1164 1.445,1165 4.138,1166 4.178,1167 4.735,1168 4.09,1169 7.716,1170 4.024,1171 4.014,1172 4.002,1173 4.08,1174 3.896,1175 6.999,1176 3.87,1177 3.649,1178 3.678,1179 3.685,1180 3.518,1181 5.151,1182 3.496,1183 3.495,1184 3.562,1185 3.387,1186 3.285,1187 4.844,1188 3.289,1189 3.142,1190 3.216,1191 3.032,1192 2.938,1193 4.362,1194 2.95,1195 2.909,1196 3.009,1197 2.802,1198 2.751,1199 4.072,1200 2.753,1201 2.874,1202 2.978,1203 2.528,1204 2.618,1205 3.9,1206 2.57,1207 2.739,1208 2.832,1209 2.499,1210 2.526,1211 3.744,1212 2.509,1213 0.2,1214 0.216,1215 0.297,1216 0.175,1217 0.139,1218 4.808,1219 0.195,1220 5.18,1221 0.123,1222 7.118,1223 0.488,1224 4.198,1225 0.124,1226 3.325,1227 4.669,1228 2.95,1229 11.701,1230 2.968,1231 1.995,1232 1.992,1233 2.032,1234 2.1,1235 1.211,1236 2.103,1237 1.816,1238 1.812,1239 1.805,1240 1.939,1241 1.039,1242 1.966,1243 1.542,1244 1.467,1245 1.789,1246 1.827,1247 0.851,1248 1.818,1249 1.468,1250 1.438,1251 1.565,1252 1.637,1253 0.705,1254 1.67,1255 1.057,1256 0.978,1257 1.417,1258 1.337,1259 0.469,1260 1.314,1261 0.934,1262 0.839,1263 1.23,1264 1.239,1265 0.264,1266 1.308,1267 0.906,1268 0.804,1269 1.066,1270 1.116,1271 0.163,1272 1.115,1273 0.725,1274 0.643,1275 0.961,1276 0.995,1278 1.021,1279 3.892,1281 5.263,1282 2.398,1283 6.81,1284 4.727,1285 8.432,1286 6.843,1287 10.094,1289 4.905,1300 1.818,1305 24.358,1306 67.234,1307 133.956,1308 161.73,1309 168.485,1310 168.485,1311 168.485,1312 37.12,1313 6.978,1314 80.46,1315 88.84,1316 17,1317 12.41,1318 4.248,1319 3.459,1320 34.513,1321 71,1322 64,1323 0.245,1324 155.486,1325 253.59,1326 371.146,1327 8769,1329 15.905,1330 0.723,1331 0.602,1332 16.155,1333 13.241,1334 10.342,1335 0.431,1336 0.351,1337 6.57,1338 9.066,1339 6.127,1340 5.156,1341 11.237,1342 8.428,1343 10.558,1344 0.293,1345 0.201,1346 11.946,1347 7.224,1348 7.94,1349 0.176,1350 0.095,1351 8.684,1352 4.274,1353 6.251,1354 0.11,1355 0.046,1356 6.771,1357 2.604,1358 5.301,1359 0.072,1360 0.025,1361 5.788,1362 1.872,1363 0.378,1364 74.633,1365 0.256,1366 21.445,1367 0.69,1368 120,1369 394.557,1370 166.84,1371 403.379,1372 545.91,1373 370,1374 141,1375 385.285,1376 194.961,1377 424.208,1378 608.83,1379 391,1380 4}
{0 CHEMBL2064506,1 2.025,2 9.542,3 0.804,4 0.646,5 89.948,6 9.931,7 0.615,8 3.766,9 3.838,10 3.853,11 3.373,12 4.907,13 3.327,14 4.3,15 4.414,16 4.032,17 3.704,18 5.933,19 3.687,20 4.473,21 4.611,22 3.957,23 3.748,24 5.861,25 3.726,26 4.425,27 4.597,28 3.921,29 3.676,30 5.867,31 3.632,32 4.337,33 4.542,34 3.816,35 3.591,36 5.593,37 3.54,38 4.22,39 4.371,40 3.751,41 3.558,42 5.57,43 3.485,44 4.236,45 4.401,46 3.621,47 3.4,48 5.647,49 3.348,50 4.06,51 4.284,52 3.425,53 3.176,54 5.361,55 3.082,56 0.178,57 0.662,58 7.96,59 3.997,60 31.736,61 3.234,62 0.59,63 0.998,64 18.684,65 6.71,66 89.863,67 6.084,68 0.751,69 1.073,70 16.822,71 6.372,72 112.469,73 5.497,74 0.672,75 1.028,76 14.112,77 6.058,78 79.454,79 6.734,80 0.564,81 0.953,82 16.146,83 5.713,84 51.587,85 6.128,86 0.427,87 0.864,88 15.634,89 6.158,90 45.701,91 5.804,92 0.61,93 0.777,94 15.259,95 5.7,96 79.456,97 5.493,98 0.525,99 0.639,100 14.646,101 4.798,102 68.713,103 5.324,104 42,105 40,106 0.357,107 0.672,108 0.793,109 0.854,110 0.854,111 0.854,112 3.229,113 1.2,114 -2.26,115 -2.3,116 -2.27,119 35.1,124 2,142 3,143 2,144 1,145 2,150 1,151 1,161 1,166 1,172 4,174 4,175 4,178 4,183 3,187 9,190 1,195 2,198 6,199 7,204 1,207 1,211 3,212 5,217 2,223 1,224 5,229 1,236 3,237 6,242 1,249 2,250 2,253 1,262 2,263 2,275 762,276 15.038,277 15.038,278 15.038,279 15.038,280 15.038,281 12.59,282 8.025,283 8.462,284 15.606,285 12.888,286 12.888,287 12.888,288 12.888,289 12.888,290 9.014,291 5.959,292 4.078,293 13.882,294 3.184,295 1.399,296 0.71,297 0.365,298 0.365,299 0.365,300 3.899,304 1,305 1,306 479,307 4,310 53.687,311 138.437,314 95.649,318 1.708,319 41.49,322 1,323 0.83,324 1,325 0.4,327 0.83,328 1,329 0.72,330 54.5,331 229,332 4.808,333 5.18,334 7.118,335 4.198,336 3.325,337 4.669,338 2.95,339 11.701,340 2.977,341 4.658,342 4.311,343 6.477,344 4.099,345 3.169,346 4.5,348 10.272,349 2.899,350 4.48,351 3.064,352 6.307,353 3.941,354 2.993,355 4.378,357 9.668,358 2.776,359 4.087,360 2.805,361 6.031,362 3.643,363 2.681,364 3.68,366 8.729,367 2.55,368 3.463,369 2.52,370 5.029,371 2.934,372 2,373 2.879,375 5.963,376 1.865,377 3.224,378 2.119,379 4.738,380 2.71,381 1.768,382 2.504,384 5.144,385 1.657,386 3.015,387 1.583,388 4.437,389 2.477,390 1.519,391 2.265,393 4.333,394 1.451,395 2.735,396 1.514,397 4.177,398 2.203,399 1.232,400 1.827,402 3.508,403 1.191,404 2.579,405 1.118,406 3.48,407 2.021,408 1.082,409 1.614,411 2.493,412 1.012,413 1.903,414 0.727,415 3.165,416 1.374,417 0.411,418 0.611,420 1.082,421 0.395,422 1.117,423 0.657,424 3.107,425 0.757,426 -0.18,427 -0.217,428 -0.569,429 -0.167,430 1,431 0.41,432 2.752,433 0.427,434 -0.52,435 -0.703,436 -1.398,437 -0.487,438 1,439 -0.123,440 2.598,441 0.179,442 -0.751,443 -0.998,445 -2.123,446 -0.671,447 0.885,448 -0.153,449 2.207,450 0.09,451 -0.886,452 -1.189,454 -2.638,455 -0.78,456 0.707,457 -0.543,458 2,460 -1,461 -1.266,463 -2.824,464 -0.792,465 11.5,466 0.479,467 1.056,468 0.044,469 36.5,470 1.521,471 20.5,472 0.854,473 16,474 0.667,475 15.52,476 0.647,477 26.3,478 0.711,479 27.38,480 1.141,481 6.768,482 0.282,483 4.348,484 0.181,485 0.203,486 0.145,487 0.252,493 0.477,494 1.445,495 0.846,496 1.396,497 0.695,498 0.938,499 0.619,500 1.053,501 1.163,502 1.174,503 0.52,504 0.874,505 1.432,506 1.046,507 1.014,508 0.883,509 1.393,510 1.015,511 0.715,512 1.083,513 0.692,514 0.795,515 0.696,516 1.023,517 0.806,518 0.812,519 0.77,520 0.678,521 0.622,522 0.792,523 0.935,524 1.17,525 1.176,526 1.233,527 0.759,528 1.184,529 1.198,530 1.07,531 0.997,532 1.007,533 1.293,534 1.144,535 0.916,536 0.767,537 0.757,538 0.711,539 0.914,540 0.86,541 8.5,542 0.112,543 2.889,544 2.104,545 1.163,546 1.313,547 0.544,548 0.429,549 0.314,550 0.22,551 5997,552 25094,553 1.972,554 35.1,556 9,557 1,558 2,559 1,564 1.667,565 1.778,566 3.238,567 -0.095,569 1,573 74.929,574 2.025,575 3.81,576 4.5,577 4.844,578 4.844,579 4.844,580 2.678,581 4.022,582 4.556,583 3.437,584 948.644,585 7.854,586 11097.4,587 1,588 1,591 192.75,592 1.825,593 4.459,594 0.327,595 0.01,596 0.072,597 0.06,598 0.035,599 0.044,600 0.02,601 0.019,602 0.018,603 0.014,604 0.619,605 0.33,606 0.88,607 1.181,608 113.962,609 0.116,610 -0.201,611 0.26,612 -0.155,613 -0.179,614 -0.001,615 0.238,616 0.072,617 -0.161,618 -0.102,619 0.312,620 0.039,621 -0.404,622 -0.066,623 -0.237,624 -0.029,625 -0.33,626 -0.134,627 0.115,628 -0.111,629 0.034,630 -0.014,631 0.051,632 -0.101,633 -0.047,634 0.194,635 0.065,636 0.153,637 -0.01,638 0.165,639 -0.142,640 -0.142,641 -0.193,642 -0.201,643 -0.001,644 -0.197,645 -0.142,646 -0.165,647 -0.115,648 -0.113,649 -0.199,650 -0.182,651 0.032,652 0.103,653 0.215,654 0.185,655 -0.018,656 0.193,657 4.391,658 4.632,659 0.625,660 20.896,661 1.041,662 1.131,663 1.031,664 1.063,665 0.708,666 3.296,667 3.714,668 3.85,669 4.127,670 4.344,671 4.477,672 4.654,673 4.71,674 4.796,675 4.898,676 5.943,677 0.688,678 367.45,679 3.296,680 4.89,681 5.72,682 6.637,683 7.491,684 8.403,685 9.268,686 10.177,687 11.049,688 11.955,689 13.5,694 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,731 37,733 20,735 26,737 39,738 13,739 11,746 3,747 4,761 11,762 2,766 4,769 2,771 4,777 1,778 1,781 13,782 8,783 1,784 11,785 2,790 5,794 0.667,795 4,805 2,811 1,812 2,815 1,840 2,842 2,844 2,848 24,851 1,852 1,855 1,867 1,870 10.8,873 4,877 13.5,878 7.3,879 4.847,880 1.787,881 3.48,882 1.486,883 1.009,884 3.978,885 10.644,886 3.664,887 4.416,888 4.857,889 5.506,890 6.071,891 6.497,892 7.032,893 7.432,894 7.787,895 8.236,896 1,897 35,898 9.183,900 4.377,901 8.319,902 16.202,904 13.564,905 2.819,906 67.667,910 141.253,911 93.341,912 67.803,914 88.626,916 11.853,917 81.488,918 229.879,919 67.803,920 14.381,922 49.33,923 180.522,924 27.181,925 13.67,926 105.94,928 141.253,929 149.291,930 88.626,931 11.853,933 141.253,934 88.626,937 22.873,938 59.779,939 78.492,941 141.253,942 156.429,943 93.341,945 11.853,946 141.253,947 11.536,948 71.116,949 16.405,950 138.86,951 141.253,952 156.429,953 93.341,955 0.614,956 0.307,957 0.156,958 0.087,959 21,960 10,961 0.103,962 4,963 1,964 1.133,965 3.481,966 195.995,967 0.133,968 15,969 106.039,973 2,974 16.681,975 5.724,976 3.855,977 0.442,978 155.265,979 9.29,980 12.017,984 1.319,986 16.405,987 391.024,988 38,991 -6.84,993 45.728,999 38.505,1000 41.83,1001 0.389,1002 0.731,1003 0.864,1004 0.93,1005 0.93,1006 0.93,1007 4.934,1008 1.232,1009 5.82,1010 4.333,1011 4.394,1012 5.103,1013 2.913,1014 6.708,1015 4.25,1016 6.258,1017 1.082,1018 7.442,1019 3.508,1020 4.443,1021 5.479,1023 8.032,1024 4.162,1025 7.669,1026 0.411,1027 9.174,1028 2.493,1029 6.176,1030 7.586,1031 5.027,1032 10.945,1033 5.86,1034 9.116,1035 -0.18,1036 10.966,1037 1.082,1038 6.909,1039 8.653,1041 12.955,1042 6.446,1043 10.588,1044 -0.52,1045 12.795,1046 -0.569,1047 8.263,1048 10.372,1049 7.185,1050 15.509,1051 7.753,1052 12.079,1053 -0.751,1054 14.647,1055 -1.398,1056 9.255,1057 11.701,1059 17.765,1060 8.608,1061 13.582,1062 -0.886,1063 16.516,1064 -2.123,1065 10.484,1066 13.29,1067 9.348,1068 20.217,1069 9.768,1070 3.325,1071 -1,1072 18.398,1073 -2.638,1074 11.579,1075 14.726,1077 22.569,1078 10.738,1079 3.169,1080 11.701,1081 20.29,1082 -2.824,1083 12.765,1084 16.267,1085 11.511,1086 24.994,1087 11.841,1088 2.993,1089 10.272,1090 22.189,1091 4.669,1092 13.903,1093 17.747,1095 27.389,1096 12.862,1097 2.681,1098 9.668,1099 24.095,1100 4.5,1101 15.076,1102 19.271,1103 13.675,1104 29.813,1105 13.941,1106 2,1107 8.729,1108 26.006,1109 4.378,1110 16.233,1111 20.771,1113 32.229,1114 14.985,1115 1.768,1116 5.963,1117 27.923,1118 3.68,1119 17.404,1120 22.29,1121 15.838,1122 34.658,1123 16.056,1124 1.519,1125 5.144,1126 29.843,1127 2.879,1128 18.571,1129 23.799,1131 37.086,1132 17.112,1133 5992,1134 12411,1135 16.296,1136 26.188,1137 40.672,1138 43.478,1139 40.441,1140 40.508,1141 40.357,1142 57.855,1143 5.9,1144 125.786,1145 37.545,1146 5.562,1147 7.18,1148 6.66,1149 5.253,1150 5.325,1151 7.669,1152 5.9,1153 18.743,1154 4.932,1155 15.339,1156 1.564,1157 1.672,1158 1.555,1159 1.558,1160 1.552,1161 2.225,1162 0.227,1163 4.838,1164 1.444,1165 4.148,1166 4.184,1167 4.737,1168 4.092,1169 7.72,1170 4.027,1171 4.027,1172 4.007,1173 4.714,1174 3.954,1175 7.713,1176 3.882,1177 3.903,1178 3.863,1179 4.059,1180 3.847,1181 6.999,1182 3.734,1183 3.615,1184 3.623,1185 3.67,1186 3.494,1187 6.999,1188 3.465,1189 3.244,1190 3.301,1191 3.201,1192 3.064,1193 5.151,1194 3.082,1195 2.909,1196 2.979,1197 2.802,1198 2.759,1199 4.844,1200 2.759,1201 2.763,1202 2.871,1203 2.588,1204 2.54,1205 4.314,1206 2.527,1207 2.735,1208 2.83,1209 2.52,1210 2.481,1211 3.902,1212 2.485,1213 0.185,1214 0.199,1215 0.274,1216 0.161,1217 0.128,1218 4.808,1219 0.18,1220 5.18,1221 0.113,1222 7.118,1223 0.45,1224 4.198,1225 0.114,1226 3.325,1227 4.669,1228 2.95,1229 11.701,1230 2.977,1231 1.995,1232 1.992,1233 2.032,1234 2.1,1235 1.211,1236 2.103,1237 1.816,1238 1.812,1239 1.804,1240 1.94,1241 1.039,1242 1.966,1243 1.725,1244 1.762,1245 1.624,1246 1.882,1247 0.972,1248 1.947,1249 1.47,1250 1.455,1251 1.565,1252 1.637,1253 0.705,1254 1.67,1255 1.197,1256 1.129,1257 1.335,1258 1.475,1259 0.308,1260 1.446,1261 0.91,1262 0.848,1263 1.077,1264 1.125,1265 0.208,1266 1.12,1267 0.787,1268 0.7,1269 1.05,1270 1.05,1271 0.107,1272 1.086,1273 0.711,1274 0.625,1275 0.959,1276 0.99,1278 1.014,1279 3.97,1281 5.361,1282 2.398,1283 6.909,1284 4.727,1285 8.525,1286 6.823,1287 10.178,1289 2.115,1296 2.196,1305 25.448,1306 74.929,1307 140.975,1308 166.485,1309 179.24,1310 179.24,1311 179.24,1312 54.815,1313 7.164,1314 123.39,1315 140.15,1316 17,1317 12.48,1318 4.392,1319 3.7,1320 39.361,1321 86,1322 72,1323 0.231,1324 165.017,1325 272.38,1326 394.402,1327 11232,1329 17.535,1330 0.731,1331 0.597,1332 18.035,1333 14.335,1334 11.116,1335 0.428,1336 0.4,1337 6.808,1338 9.04,1339 6.255,1340 5.208,1341 12.937,1342 10.397,1343 12.185,1344 0.305,1345 0.224,1346 14.955,1347 8.976,1348 7.96,1349 0.173,1350 0.103,1351 9.154,1352 4.715,1353 6.818,1354 0.112,1355 0.05,1356 7.854,1357 3.054,1358 5.394,1359 0.071,1360 0.027,1361 6.238,1362 2.054,1363 0.361,1364 89.18,1365 0.248,1366 23.293,1367 0.64,1368 132,1369 497.576,1370 213.319,1371 517.464,1372 682.93,1373 468,1374 152,1375 453.247,1376 246.738,1377 520.194,1378 739.52,1379 479,1380 4}
{0 CHEMBL2064507,1 1.746,2 11.6,3 3.016,4 9.096,5 117.121,6 9.054,7 0.794,8 3.979,9 4.077,10 3.853,11 3.607,12 5.161,13 3.589,14 4.461,15 4.577,16 4.167,17 3.997,18 5.871,19 3.971,20 4.678,21 4.833,22 4.208,23 4.12,24 5.899,25 4.063,26 4.741,27 4.918,28 4.176,29 4.08,30 6.008,31 4.005,32 4.682,33 4.864,34 4.135,35 4.014,36 5.945,37 3.939,38 4.641,39 4.814,40 4.051,41 3.933,42 5.978,43 3.877,44 4.548,45 4.723,46 3.924,47 3.809,48 5.887,49 3.772,50 4.396,51 4.581,52 3.782,53 3.713,54 5.691,55 3.659,56 0.142,57 0.767,58 8.746,59 3.941,60 18.584,61 3.848,62 0.389,63 1.196,64 12.792,65 6.409,66 50.547,67 6.862,68 0.321,69 1.425,70 20.179,71 8.701,72 36.45,73 9.249,74 0.495,75 1.464,76 22.609,77 9.325,78 58.786,79 9.853,80 0.4,81 1.372,82 24.929,83 9.556,84 47.219,85 9.87,86 0.447,87 1.278,88 26.339,89 9.398,90 61.542,91 9.342,92 0.576,93 1.161,94 21.03,95 7.471,96 71.138,97 7.469,98 0.412,99 1.033,100 15.18,101 6.048,102 54.228,103 6.851,104 10,105 50,106 0.289,107 0.569,108 0.74,109 0.852,110 0.887,111 0.901,112 3.441,113 0.932,114 -4.18,115 -4.12,116 -3.9,119 45.7,142 10,143 4,144 2,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 13,174 3,175 4,177 2,178 4,180 2,183 14,187 9,189 1,190 1,192 4,195 11,198 2,199 11,202 1,204 5,207 6,209 1,211 1,212 11,217 4,220 4,222 2,223 1,224 11,229 2,232 5,234 1,236 3,237 7,240 1,242 2,245 8,247 1,249 2,250 3,252 1,253 2,258 9,262 2,263 3,266 1,271 9,275 1442,276 20.281,277 20.281,278 20.281,279 20.281,280 20.281,281 16.909,282 9.2,283 11.75,284 20.701,285 16.83,286 16.83,287 16.83,288 16.83,289 16.83,290 11.707,291 6.314,292 5.597,293 17.54,294 3.777,295 2.089,296 1.059,297 0.381,298 0.174,299 0.087,300 4.15,304 1,305 1,306 781,307 3.391,310 69.593,311 319.081,314 118.715,315 131.211,318 1.827,319 34.412,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65,331 348,332 4.868,333 4.687,334 7.317,335 4.334,336 3.41,337 4.726,339 12.564,340 3.145,341 4.504,342 3.062,343 6.496,344 4.007,345 3.044,346 4.446,348 10.143,349 2.96,350 4.468,351 3.047,352 6.325,353 3.962,354 2.986,355 4.406,357 9.722,358 2.878,359 4.093,360 2.719,361 6.038,362 3.668,363 2.697,364 3.687,366 8.74,367 2.599,368 3.508,369 2.2,370 5.255,371 3.061,372 2.088,373 2.926,375 6.302,376 2.028,377 3.422,378 2.063,379 4.876,380 2.917,381 1.971,382 2.822,384 5.494,385 1.867,386 3.21,387 1.78,388 4.779,389 2.709,390 1.754,391 2.49,393 5.062,394 1.667,395 3.118,396 1.618,397 4.454,398 2.618,399 1.618,400 2.427,402 4.344,403 1.618,404 3.013,405 1.521,406 4.244,407 2.476,408 1.518,409 2.262,411 3.787,412 1.45,413 2.77,414 1.347,415 4.118,416 2.273,417 1.276,418 1.903,420 3.515,421 1.272,422 2.735,423 1.266,424 3.595,425 2.216,426 1.236,427 1.829,428 2.826,429 1.207,430 2.58,431 1.104,432 3.496,433 2.027,434 1.086,435 1.616,436 2.501,437 1.018,438 2.352,439 0.932,440 3.366,441 1.877,442 0.888,443 1.28,445 2.088,446 0.878,447 1.903,448 0.412,449 3.164,450 1.374,451 0.41,452 0.61,454 1.08,455 0.394,456 1.329,457 0.225,458 3.058,459 0.938,460 -0.036,461 -0.046,463 -0.094,464 -0.034,465 14.4,466 0.48,467 0.851,468 0.028,469 47.75,470 1.592,471 28,472 0.933,473 19.75,474 0.658,475 18.883,476 0.629,477 30,478 0.652,479 37.068,480 1.236,481 9.293,482 0.31,483 5.201,484 0.173,485 0.074,486 0.058,487 0.306,493 0.602,494 1.134,495 0.759,496 1.064,497 0.758,498 0.778,499 0.547,500 0.963,501 0.824,502 0.93,503 0.525,504 0.888,505 0.978,506 1.11,507 1.058,508 1.115,509 0.898,510 1.036,511 1.158,512 1.022,513 1.099,514 1.046,515 1.158,516 1.07,517 1.241,518 1.005,519 1.211,520 1.135,521 1.249,522 0.991,523 1.494,524 1.054,525 1.344,526 1.246,527 1.627,528 1.004,529 1.609,530 0.893,531 1.131,532 0.924,533 1.935,534 0.923,535 1.042,536 0.913,537 0.901,538 0.894,539 1.194,540 1.011,541 7,542 0.078,543 4,544 2.417,545 1.764,546 1.323,547 0.661,548 0.437,549 0.326,550 0.231,551 12619,552 36987,553 2.157,554 34.8,556 10,557 1,558 2,559 3,564 1.728,565 2.034,566 3.503,567 0.933,569 1,573 80.335,574 1.746,575 3.435,576 4.464,577 5.143,578 5.35,579 5.437,580 2.921,581 4.774,582 4.881,583 3.654,584 1589.47,585 8.511,586 21712.8,588 1,590 1,591 254.084,592 1.481,593 4.84,594 0.206,595 0.003,596 0.08,597 0.048,598 0.039,599 0.031,600 0.016,601 0.012,602 0.01,603 0.008,604 0.454,605 0.33,606 0.88,607 0.496,608 153.555,609 0.074,610 -0.021,611 0.187,612 -0.041,613 -0.209,614 0.055,615 0.324,616 0.103,618 -0.007,619 0.274,620 -0.053,621 -0.103,622 -0.106,623 -0.08,624 -0.103,625 -0.049,626 -0.097,627 -0.07,628 -0.036,629 -0.061,630 -0.028,631 -0.039,632 -0.106,633 -0.129,634 -0.023,635 -0.009,636 -0.012,637 -0.044,638 0.019,639 -0.18,640 -0.102,641 -0.103,642 -0.096,643 -0.075,644 0.008,645 -0.151,646 0.065,647 -0.104,648 0.065,649 -0.249,650 0.024,651 0.029,652 0.059,653 -0.03,654 0.009,655 -0.076,656 -0.065,657 4.758,658 6.049,659 0.833,660 27.404,661 1.017,662 1.117,663 2.949,664 8.694,665 0.726,666 3.555,667 3.932,668 4.22,669 4.511,670 4.754,671 4.804,672 4.963,673 5.088,674 5.153,675 5.209,676 6.789,677 0.704,678 416.5,679 3.555,680 5.13,681 5.999,682 6.903,683 7.787,684 8.691,685 9.58,686 10.483,687 11.374,688 12.276,689 13,693 1,694 1,697 1,699 3,703 3,704 13,705 3,709 5,711 27,722 1,731 46,733 29,734 2,735 34,737 50,738 21,739 21,740 3,741 7,746 5,747 7,761 21,766 2,769 1,771 2,778 1,781 16,782 7,783 3,784 9,785 1,790 6,794 0.6,795 2,805 2,811 1,812 4,815 1,816 1,840 3,842 1,848 30,849 1,852 1,855 1,867 1,870 4.3,873 2,877 14.75,878 8.217,879 6.319,880 2.496,881 5.387,882 1.659,883 1.078,884 4.389,885 13.56,886 3.922,887 4.647,888 5.279,889 5.93,890 6.515,891 6.844,892 7.325,893 7.76,894 8.092,895 8.389,896 0.875,897 50,898 11.314,900 5.247,901 7.892,902 20.761,904 17.575,905 2.392,906 71.75,909 1,910 153.024,911 147.151,912 100.7,914 44.313,916 5.807,917 141.344,918 197.337,919 100.7,922 142.515,923 136.21,924 35.083,925 13.67,926 117.711,928 153.024,929 242.044,930 44.313,931 5.807,933 153.024,934 44.313,937 22.873,938 152.532,939 72.447,941 153.024,942 145.013,943 147.151,945 5.807,946 153.024,947 19.439,948 123.069,949 16.405,950 127.444,951 153.024,952 145.013,953 147.151,955 0.595,956 0.349,957 0.192,958 0.106,959 27,960 11,961 0.08,962 4,963 2,964 1.16,965 4.143,966 282.437,967 0.16,968 25,969 143.207,973 1,974 18.554,975 7.097,976 3.509,977 2.373,978 143.849,979 22.86,980 12.3,984 2.11,986 49.302,987 445.189,988 49.5,991 -3.841,993 26.099,999 46.76,1000 51.405,1001 0.316,1002 0.622,1003 0.808,1004 0.931,1005 0.969,1006 0.984,1007 5.163,1008 1.618,1009 6.023,1010 5.062,1011 4.615,1012 5.335,1014 6.895,1015 4.534,1016 6.435,1017 1.518,1018 7.623,1019 4.344,1020 4.369,1021 5.4,1023 8.061,1024 4.209,1025 7.798,1026 1.276,1027 9.333,1028 3.787,1029 6.308,1030 7.74,1032 11.121,1033 6.128,1034 9.204,1035 1.236,1036 11.112,1037 3.515,1038 6.878,1039 8.622,1041 13.116,1042 6.604,1043 10.644,1044 1.086,1045 12.935,1046 2.826,1047 8.33,1048 10.461,1050 15.756,1051 8.03,1052 12.11,1053 0.888,1054 14.79,1055 2.501,1056 9.254,1057 11.702,1059 18.061,1060 8.861,1061 13.594,1062 0.41,1063 16.668,1064 2.088,1065 10.527,1066 13.348,1068 20.588,1069 10.093,1070 3.41,1071 -0.036,1072 18.563,1073 1.08,1074 11.603,1075 14.747,1077 23.013,1078 11.081,1079 3.044,1080 12.564,1081 20.472,1082 -0.094,1083 12.815,1084 16.316,1086 25.518,1087 12.237,1088 2.986,1089 10.143,1090 22.393,1091 4.726,1092 13.956,1093 17.784,1095 27.994,1096 13.293,1097 2.697,1098 9.722,1099 24.322,1100 4.446,1101 15.15,1102 19.324,1104 30.5,1105 14.42,1106 2.088,1107 8.74,1108 26.259,1109 4.406,1110 16.321,1111 20.823,1113 33,1114 15.508,1115 1.971,1116 6.302,1117 28.203,1118 3.687,1119 17.514,1120 22.353,1122 35.513,1123 16.626,1124 1.754,1125 5.494,1126 30.152,1127 2.926,1128 18.701,1129 23.866,1131 38.025,1132 17.729,1133 11555,1134 19996,1135 23.057,1136 33.398,1137 52.323,1138 52.659,1139 52.925,1140 52.026,1141 51.97,1142 74.859,1144 156.333,1145 49.962,1146 5.702,1147 6.687,1148 7.006,1149 5.41,1150 5.41,1151 7.726,1153 20.082,1154 5.145,1155 12.068,1156 1.539,1157 1.549,1158 1.557,1159 1.53,1160 1.529,1161 2.202,1163 4.598,1164 1.469,1165 4.161,1166 4.186,1167 4.737,1168 4.111,1169 7.717,1170 4.075,1171 4.076,1172 4.111,1173 4.074,1174 3.985,1175 6.999,1176 3.979,1177 3.964,1178 3.961,1179 4.013,1180 3.872,1181 5.303,1182 3.837,1183 3.615,1184 3.626,1185 3.676,1186 3.484,1187 4.91,1188 3.462,1189 3.442,1190 3.479,1191 3.353,1192 3.363,1193 4.873,1194 3.344,1195 3.305,1196 3.37,1197 3.243,1198 3.105,1199 4.733,1200 3.124,1201 3.033,1202 3.074,1203 2.951,1204 2.942,1205 4.346,1206 2.929,1207 2.905,1208 2.981,1209 2.802,1210 2.752,1211 4.147,1212 2.752,1213 0.143,1214 0.138,1215 0.215,1216 0.127,1217 0.1,1218 4.868,1219 0.139,1220 4.687,1222 7.317,1223 0.37,1224 4.334,1225 0.092,1226 3.41,1227 4.726,1229 12.564,1230 3.145,1231 2.079,1232 2.065,1233 2.15,1234 2.142,1235 1.294,1236 2.156,1237 1.979,1238 1.964,1239 2.03,1240 2.09,1241 1.175,1242 2.083,1243 1.786,1244 1.78,1245 1.79,1246 1.918,1247 0.969,1248 1.931,1249 1.497,1250 1.462,1251 1.663,1252 1.651,1253 0.702,1254 1.653,1255 1.362,1256 1.362,1257 1.449,1258 1.637,1259 0.517,1260 1.601,1261 1.306,1262 1.225,1263 1.305,1264 1.511,1265 0.326,1266 1.541,1267 1.033,1268 0.996,1269 1.137,1270 1.168,1271 0.225,1272 1.193,1273 0.872,1274 0.819,1275 1.091,1276 1.127,1277 0.074,1278 1.123,1279 4.234,1281 5.595,1282 2.398,1283 7.151,1284 4.727,1285 8.792,1286 6.804,1287 10.476,1293 5.63,1296 2.677,1305 32.379,1306 80.335,1307 158.004,1308 205.355,1309 236.574,1310 246.084,1311 250.084,1312 49.46,1313 8.174,1314 115.27,1315 123.65,1316 29,1317 12.799,1318 4.907,1319 4.044,1320 41.637,1321 122,1322 122,1323 0.164,1324 200.003,1325 325.97,1326 479.767,1327 46023,1329 20.717,1330 0.691,1331 0.547,1332 20.967,1333 16.413,1334 14.493,1335 0.426,1336 0.311,1337 9.083,1338 13.237,1339 8.795,1340 7.284,1341 15.314,1342 10.558,1343 13.886,1344 0.278,1345 0.168,1346 15.186,1347 8.414,1348 11.589,1349 0.173,1350 0.091,1351 12.667,1352 6.071,1353 10.053,1354 0.112,1355 0.049,1356 11.083,1357 4.38,1358 8.37,1359 0.073,1360 0.028,1361 9.421,1362 3.17,1363 0.258,1364 98.731,1365 0.208,1366 28.225,1367 0.45,1368 168,1369 502.557,1370 220.067,1371 517.572,1372 717.26,1373 478,1374 201,1375 522.396,1376 262.36,1377 567.141,1378 828.1,1379 532,1380 7}
{0 CHEMBL2064508,1 1.944,2 11.444,3 2.772,4 7.683,5 105.476,6 10.022,7 0.733,8 3.849,9 3.942,10 3.803,11 3.464,12 5.06,13 3.45,14 4.323,15 4.435,16 4.126,17 3.842,18 5.806,19 3.821,20 4.525,21 4.671,22 4.136,23 3.953,24 5.822,25 3.89,26 4.558,27 4.727,28 4.01,29 3.853,30 5.876,31 3.793,32 4.475,33 4.657,34 3.979,35 3.73,36 5.828,37 3.687,38 4.351,39 4.527,40 3.953,41 3.687,42 5.723,43 3.639,44 4.291,45 4.483,46 3.745,47 3.599,48 5.542,49 3.537,50 4.189,51 4.363,52 3.709,53 3.497,54 5.522,55 3.439,56 0.168,57 0.686,58 6.097,59 3.358,60 19.894,61 2.907,62 0.429,63 1.042,64 9.094,65 5.404,66 49.755,67 5.31,68 0.466,69 1.19,70 17.57,71 7.535,72 39.222,73 7.062,74 0.552,75 1.173,76 23.429,77 8.244,78 52.68,79 7.617,80 0.646,81 1.051,82 19.257,83 6.755,84 84.514,85 6.228,86 0.496,87 0.957,88 15.74,89 6.261,90 48.771,91 6.692,92 0.413,93 0.917,94 17.284,95 6.128,96 36.903,97 6.414,98 0.452,99 0.803,100 12.887,101 5.166,102 46.054,103 5.182,104 17,105 44,106 0.335,107 0.634,108 0.789,109 0.865,110 0.865,111 0.865,112 3.34,113 0.962,114 -3.9,115 -3.86,116 -3.66,119 42.5,142 7,143 2,144 3,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 6,174 3,175 4,177 2,178 4,180 1,183 7,187 11,189 1,190 2,192 3,195 6,199 11,204 4,207 1,209 1,211 3,212 5,217 3,220 2,222 2,223 1,224 7,227 1,229 3,232 4,234 1,236 1,237 4,240 1,242 1,245 4,247 1,249 2,250 2,252 1,253 2,258 5,262 2,263 3,267 1,270 1,271 5,275 1069,276 17.867,277 17.867,278 17.867,279 17.867,280 17.867,281 15.005,282 10.801,283 10.287,284 18.426,285 14.831,286 14.831,287 14.831,288 14.831,289 14.831,290 10.483,291 6.955,292 4.928,293 15.823,294 3.378,295 1.641,296 0.741,297 0.3,298 0.3,299 0.3,300 4.033,301 1,304 1,305 1,306 677,307 3.317,310 64.941,311 250.08,314 111.206,318 1.72,319 35.215,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.333,331 309,332 4.856,333 4.686,334 7.308,335 4.312,336 3.393,337 4.707,339 12.509,340 3.093,341 4.507,342 3.063,343 6.332,344 4.006,345 3.05,346 4.448,348 9.747,349 2.929,350 4.166,351 2.9,352 6.059,353 3.729,354 2.766,355 3.804,357 8.833,358 2.645,359 3.842,360 2.808,361 5.377,362 3.347,363 2.419,364 3.397,366 6.883,367 2.242,368 3.647,369 2.416,370 5.088,371 3.191,372 2.248,373 3.087,375 6.213,376 2.079,377 3.292,378 2.024,379 4.813,380 2.834,381 1.911,382 2.582,384 5.331,385 1.761,386 3.071,387 1.743,388 4.654,389 2.538,390 1.595,391 2.295,393 4.645,394 1.463,395 3.018,396 1.526,397 4.453,398 2.478,399 1.521,400 2.26,402 4.374,403 1.431,404 2.854,405 1.426,406 4.222,407 2.339,408 1.378,409 2.005,411 3.746,412 1.314,413 2.591,414 1.105,415 3.488,416 2.043,417 1.1,418 1.635,420 2.536,421 1.034,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.903,431 0.657,432 3.183,433 1.374,434 0.411,435 0.611,436 1.082,437 0.395,438 1.201,439 0.411,440 3.154,441 0.844,442 -0.086,443 -0.104,445 -0.23,446 -0.072,447 1.119,448 0.018,449 2.649,450 0.581,451 -0.253,452 -0.328,454 -0.591,455 -0.185,456 1,457 -0.222,458 2.609,459 0.507,460 -0.444,461 -0.581,463 -1.2,464 -0.419,465 13.114,466 0.486,467 0.854,468 0.032,469 42,470 1.556,471 24,472 0.889,473 18,474 0.667,475 16.999,476 0.63,477 27.686,478 0.692,479 31.468,480 1.165,481 8.143,482 0.302,483 4.761,484 0.176,485 0.136,486 0.064,487 0.297,493 0.618,494 1.218,495 0.664,496 1.056,497 0.764,498 0.757,499 0.587,500 1.011,501 0.733,502 0.889,503 0.529,504 0.857,505 1.09,506 1.064,507 1.148,508 1.12,509 0.976,510 1.088,511 1.314,512 1.165,513 1.229,514 1.262,515 1.255,516 1.131,517 1.356,518 0.884,519 0.68,520 0.704,521 1.629,522 0.873,523 0.635,524 0.989,525 0.772,526 1.036,527 0.654,528 1.01,529 0.968,530 0.987,531 0.968,532 1.031,533 0.888,534 0.981,535 1.068,536 0.895,537 0.916,538 0.913,539 1.314,540 0.986,541 7.5,542 0.184,543 3.556,544 2.229,545 1.453,546 1.011,547 0.557,548 0.442,549 0.278,550 0.203,551 9279,552 33389,553 2.088,554 32.5,556 7,557 1,558 2,559 3,564 1.699,565 1.94,566 3.482,567 1.055,568 1,569 1,573 77.775,574 1.944,575 3.681,576 4.581,577 5.022,578 5.022,579 5.022,580 2.936,581 4.459,582 4.728,583 3.612,584 1267.73,585 8.196,586 16220,588 1,590 1,591 212.877,592 1.596,593 4.673,594 0.25,595 0.01,596 0.081,597 0.053,598 0.039,599 0.03,600 0.017,601 0.015,602 0.011,603 0.009,604 0.515,605 0.33,606 1,607 0.584,608 134.163,609 0.026,610 -0.062,611 0.117,612 -0.063,613 -0.218,614 0.047,615 0.248,616 0.082,617 -0.004,618 0.009,619 0.269,620 -0.048,621 -0.19,622 -0.045,623 -0.186,624 -0.107,625 -0.097,626 -0.157,627 -0.265,628 -0.191,629 -0.211,630 -0.187,631 -0.1,632 -0.134,633 -0.181,634 0.073,635 0.098,636 0.21,637 -0.239,638 0.08,639 0.246,640 -0.031,641 0.132,642 -0.091,643 0.185,644 -0.016,645 -0.078,646 -0.016,647 -0.03,648 -0.024,649 -0.013,650 0.044,651 -0.013,652 0.073,653 -0.012,654 0.055,655 -0.147,656 -0.014,657 4.67,658 5.52,659 0.778,660 23.517,661 1.03,662 1.123,663 2.673,664 7.143,665 0.737,666 3.434,667 3.807,668 4.043,669 4.304,670 4.511,671 4.575,672 4.682,673 4.796,674 4.812,675 4.905,676 6.551,677 0.717,678 400.88,679 3.434,680 5.004,681 5.855,682 6.751,683 7.618,684 8.515,685 9.387,686 10.284,687 11.159,688 12.055,689 15,693 1,694 1,697 1,699 3,703 1,704 10,705 3,709 6,711 22,722 1,730 1,731 40,733 24,734 1,735 30,737 43,738 17,739 17,740 2,741 4,746 4,747 5,748 1,761 17,766 2,769 1,771 2,778 1,781 13,782 7,783 3,784 10,785 2,790 6,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,845 1,848 27,849 1,852 1,855 1,867 1,869 1,870 5,873 2,877 13.917,878 7.11,879 5.681,880 2.073,881 4.128,882 1.546,883 1.047,884 4.477,885 11.695,886 3.784,887 4.491,888 5.062,889 5.68,890 6.221,891 6.538,892 6.973,893 7.392,894 7.65,895 8.057,896 0.875,897 42,898 10.148,900 4.668,901 8.026,902 18.358,904 15.257,905 2.526,906 68.194,909 1,910 117.711,911 117.077,912 100.7,913 39.149,914 44.313,916 5.807,917 111.27,918 201.173,919 100.7,922 114.086,923 136.21,924 33.438,925 13.67,926 82.398,927 39.149,928 117.711,929 211.97,930 44.313,931 44.956,933 117.711,934 44.313,937 22.873,938 122.458,939 111.595,941 117.711,942 145.013,943 156.226,945 5.807,946 117.711,947 17.794,948 94.64,949 16.405,950 166.593,951 117.711,952 145.013,953 156.226,955 0.598,956 0.338,957 0.177,958 0.097,959 23,960 10,961 0.093,962 4,963 1,964 1.095,965 3.883,966 234.389,967 0.095,968 21,969 122.382,973 1,974 17.737,975 6.815,976 3.735,977 0.615,978 143.849,979 15.991,980 12.255,984 2.573,986 49.302,987 418.95,988 43,991 -3.753,993 25.04,999 41.2,1000 44.933,1001 0.365,1002 0.692,1003 0.861,1004 0.944,1005 0.944,1006 0.944,1007 5.027,1008 1.521,1009 5.889,1010 4.645,1011 4.489,1012 5.179,1014 6.742,1015 4.366,1016 6.299,1017 1.378,1018 7.482,1019 4.374,1020 4.29,1021 5.27,1023 7.908,1024 4.055,1025 7.662,1026 1.1,1027 9.183,1028 3.746,1029 6.176,1030 7.555,1032 10.933,1033 5.926,1034 9.065,1035 1,1036 10.952,1037 2.536,1038 6.758,1039 8.435,1041 12.939,1042 6.389,1043 10.5,1044 0.411,1045 12.767,1046 2.275,1047 8.185,1048 10.248,1050 15.57,1051 7.791,1052 11.959,1053 -0.086,1054 14.616,1055 1.082,1056 9.11,1057 11.48,1059 17.895,1060 8.602,1061 13.438,1062 -0.253,1063 16.491,1064 -0.23,1065 10.374,1066 13.114,1068 20.427,1069 9.819,1070 3.393,1071 -0.444,1072 18.386,1073 -0.591,1074 11.449,1075 14.506,1077 22.87,1078 10.79,1079 3.05,1080 12.509,1081 20.298,1082 -1.2,1083 12.658,1084 16.071,1086 25.382,1087 11.934,1088 2.766,1089 9.747,1090 22.223,1091 4.707,1092 13.801,1093 17.537,1095 27.871,1096 12.977,1097 2.419,1098 8.833,1099 24.159,1100 4.448,1101 14.996,1102 19.076,1104 30.384,1105 14.094,1106 2.248,1107 6.883,1108 26.103,1109 3.804,1110 16.169,1111 20.576,1113 32.891,1114 15.171,1115 1.911,1116 6.213,1117 28.055,1118 3.397,1119 17.364,1120 22.107,1122 35.408,1123 16.279,1124 1.595,1125 5.331,1126 30.013,1127 3.087,1128 18.553,1129 23.623,1131 37.925,1132 17.372,1133 8755,1134 16780,1135 19.879,1136 29.494,1137 46.093,1138 46.928,1139 46.823,1140 45.823,1141 45.583,1142 64.661,1144 136.345,1145 42.775,1146 5.685,1147 6.686,1148 6.854,1149 5.376,1150 5.393,1151 7.707,1153 19.857,1154 5.093,1155 13.41,1156 1.536,1157 1.564,1158 1.561,1159 1.527,1160 1.519,1161 2.155,1163 4.545,1164 1.426,1165 4.13,1166 4.172,1167 4.737,1168 4.077,1169 7.717,1170 4.014,1171 4.052,1172 4.046,1173 4.081,1174 3.938,1175 6.999,1176 3.936,1177 3.817,1178 3.858,1179 3.926,1180 3.689,1181 5.303,1182 3.704,1183 3.595,1184 3.573,1185 3.763,1186 3.524,1187 4.933,1188 3.451,1189 3.336,1190 3.399,1191 3.277,1192 3.147,1193 4.901,1194 3.171,1195 2.925,1196 2.987,1197 3.158,1198 2.796,1199 4.743,1200 2.794,1201 2.854,1202 2.957,1203 2.824,1204 2.735,1205 4.262,1206 2.715,1207 2.849,1208 2.925,1209 2.717,1210 2.63,1211 4.15,1212 2.635,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.856,1219 0.157,1220 4.686,1222 7.308,1223 0.417,1224 4.312,1225 0.103,1226 3.393,1227 4.707,1229 12.509,1230 3.093,1231 1.984,1232 1.981,1233 2.035,1234 2.099,1235 1.178,1236 2.096,1237 1.929,1238 1.911,1239 1.951,1240 2.008,1241 1.127,1242 2.033,1243 1.711,1244 1.671,1245 1.799,1246 1.867,1247 0.865,1248 1.856,1249 1.398,1250 1.436,1251 1.449,1252 1.651,1253 0.537,1254 1.602,1255 1.313,1256 1.23,1257 1.197,1258 1.544,1259 0.264,1260 1.581,1261 0.939,1262 0.896,1263 1.181,1264 1.14,1265 0.218,1266 1.127,1267 0.886,1268 0.821,1269 1.101,1270 1.075,1271 0.157,1272 1.107,1273 0.814,1274 0.725,1275 1.02,1276 1.062,1277 0.007,1278 1.092,1279 4.111,1281 5.468,1282 2.398,1283 7.008,1284 4.727,1285 8.626,1286 6.804,1287 10.284,1290 5.809,1293 5.597,1296 2.517,1305 28.68,1306 77.775,1307 147.251,1308 183.226,1309 200.877,1310 200.877,1311 200.877,1312 47.729,1313 7.567,1314 115.27,1315 123.65,1316 23,1317 12.584,1318 4.644,1319 3.807,1320 40.315,1321 107,1322 107,1323 0.185,1324 183.215,1325 300.52,1326 438.804,1327 20546,1328 2.5,1329 19.018,1330 0.704,1331 0.567,1332 19.768,1333 15.315,1334 12.904,1335 0.43,1336 0.321,1337 7.802,1338 11.334,1339 7.511,1340 6.209,1341 14.014,1342 9.625,1343 12.612,1344 0.287,1345 0.178,1346 14.321,1347 7.831,1348 10.016,1349 0.179,1350 0.097,1351 11.409,1352 5.444,1353 8.418,1354 0.115,1355 0.051,1356 9.607,1357 3.713,1358 6.665,1359 0.074,1360 0.029,1361 7.781,1362 2.63,1363 0.291,1364 92.37,1365 0.224,1366 25.975,1367 0.502,1368 148,1369 486.76,1370 215.586,1371 527.423,1372 709.21,1373 484,1374 174,1375 484.259,1376 244.701,1377 535.881,1378 777.87,1379 501,1380 6.8}
{0 CHEMBL2064509,1 1.944,2 11.37,3 2.772,4 7.683,5 105.476,6 10.022,7 0.733,8 3.849,9 3.942,10 3.803,11 3.464,12 5.06,13 3.45,14 4.323,15 4.435,16 4.126,17 3.842,18 5.806,19 3.821,20 4.525,21 4.67,22 4.14,23 3.946,24 5.819,25 3.888,26 4.562,27 4.735,28 4.035,29 3.862,30 5.903,31 3.794,32 4.451,33 4.624,34 3.963,35 3.759,36 5.798,37 3.715,38 4.404,39 4.561,40 3.961,41 3.73,42 5.734,43 3.672,44 4.346,45 4.524,46 3.921,47 3.606,48 5.775,49 3.571,50 4.165,51 4.35,52 3.701,53 3.479,54 5.511,55 3.425,56 0.168,57 0.686,58 6.097,59 3.358,60 19.894,61 2.907,62 0.429,63 1.042,64 9.094,65 5.404,66 49.755,67 5.31,68 0.457,69 1.192,70 17.82,71 7.415,72 40.041,73 6.958,74 0.623,75 1.174,76 21.211,77 7.973,78 61.904,79 7.562,80 0.516,81 1.055,82 19.339,83 7.356,84 55.746,85 6.945,86 0.491,87 0.993,88 20.376,89 6.999,90 60.023,91 6.373,92 0.635,93 0.927,94 16.899,95 5.991,96 64.781,97 5.957,98 0.415,99 0.793,100 11.575,101 4.807,102 47.563,103 5.191,104 17,105 44,106 0.335,107 0.634,108 0.789,109 0.865,110 0.865,111 0.865,112 3.34,113 0.962,114 -3.9,115 -3.86,116 -3.66,119 42.5,142 7,143 2,144 3,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 6,174 3,175 4,177 2,178 4,180 2,183 7,187 9,189 1,190 1,192 3,195 6,198 2,199 11,202 1,204 2,207 1,209 1,211 1,212 9,217 4,220 2,222 2,223 1,224 5,229 2,232 4,234 1,236 3,237 6,240 1,242 2,245 4,247 1,249 2,252 1,253 2,258 5,262 2,263 3,266 1,271 5,275 1087,276 17.867,277 17.867,278 17.867,279 17.867,280 17.867,281 15.005,282 10.801,283 10.293,284 18.427,285 14.831,286 14.831,287 14.831,288 14.831,289 14.831,290 10.483,291 6.955,292 4.937,293 15.822,294 3.378,295 1.641,296 0.741,297 0.3,298 0.3,299 0.3,300 4.033,301 1,304 1,305 1,306 673,307 3.317,310 64.673,311 249.671,314 110.649,318 1.791,319 35.586,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.333,331 307,332 4.861,333 4.687,334 7.312,335 4.32,336 3.4,337 4.714,339 12.533,340 3.106,341 4.502,342 3.054,343 6.326,344 3.991,345 3.039,346 4.444,348 9.726,349 2.903,350 4.102,351 2.944,352 6.039,353 3.679,354 2.71,355 3.699,357 8.748,358 2.609,359 3.977,360 2.723,361 5.442,362 3.503,363 2.558,364 3.582,366 7.127,367 2.403,368 3.479,369 2.453,370 4.988,371 2.994,372 2.078,373 2.89,375 5.808,376 1.904,377 3.361,378 2.072,379 4.826,380 2.882,381 1.966,382 2.655,384 5.434,385 1.734,386 3.205,387 1.786,388 4.72,389 2.697,390 1.747,391 2.483,393 5.007,394 1.635,395 3.013,396 1.521,397 4.448,398 2.476,399 1.518,400 2.262,402 4.337,403 1.45,404 2.733,405 1.33,406 4.213,407 2.211,408 1.233,409 1.826,411 3.517,412 1.201,413 2.579,414 1.102,415 3.492,416 2.023,417 1.083,418 1.614,420 2.497,421 1.015,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.903,431 0.63,432 3.18,433 1.374,434 0.41,435 0.61,436 1.08,437 0.394,438 1.424,439 0.411,440 3.151,441 1.032,442 0.143,443 0.174,445 0.344,446 0.113,447 1,448 0.143,449 2.662,450 0.514,451 -0.434,452 -0.572,454 -1.148,455 -0.406,456 0.963,457 -0.286,458 2.583,459 0.288,460 -0.613,461 -0.739,463 -1.582,464 -0.449,465 13.114,466 0.486,467 0.854,468 0.032,469 42,470 1.556,471 24,472 0.889,473 18,474 0.667,475 17.028,476 0.631,477 27.686,478 0.692,479 31.597,480 1.17,481 8.143,482 0.302,483 4.76,484 0.176,485 0.136,486 0.064,487 0.297,493 0.618,494 1.218,495 0.664,496 1.056,497 0.764,498 0.757,499 0.587,500 1.011,501 0.733,502 0.889,503 0.529,504 0.857,505 1.103,506 1.149,507 1.142,508 1.162,509 0.982,510 1.098,511 1.222,512 0.981,513 1.121,514 1.062,515 1.225,516 1.065,517 1.203,518 0.979,519 0.921,520 1.038,521 1.347,522 0.915,523 1.303,524 1.114,525 0.95,526 1.11,527 1.51,528 1.084,529 0.957,530 0.906,531 0.845,532 0.919,533 1.162,534 0.924,535 0.894,536 0.868,537 0.764,538 0.806,539 0.983,540 0.928,541 7.5,542 0.111,543 3.556,544 2.104,545 1.631,546 1.024,547 0.598,548 0.449,549 0.297,550 0.211,551 9191,552 32913,553 2.088,554 32.5,556 7,557 1,558 2,559 3,564 1.7,565 1.94,566 3.475,567 1.055,568 1,569 1,573 77.775,574 1.944,575 3.681,576 4.581,577 5.022,578 5.022,579 5.022,580 2.936,581 4.459,582 4.726,583 3.6,584 1263.61,585 8.198,586 16077.1,588 1,590 1,591 212.877,592 1.596,593 4.673,594 0.25,595 0.007,596 0.081,597 0.05,598 0.044,599 0.028,600 0.018,601 0.014,602 0.011,603 0.01,604 0.514,605 0.33,606 1,607 0.584,608 133.88,609 0.026,610 -0.062,611 0.117,612 -0.063,613 -0.218,614 0.047,615 0.248,616 0.082,617 -0.004,618 0.009,619 0.269,620 -0.048,621 -0.204,622 -0.132,623 -0.18,624 -0.15,625 -0.104,626 -0.168,627 -0.155,628 -0.002,629 -0.143,630 -0.029,631 -0.07,632 -0.082,633 -0.145,634 -0.004,635 -0.011,636 0.017,637 -0.091,638 0.084,639 -0.215,640 -0.158,641 -0.031,642 -0.083,643 -0.226,644 -0.11,645 0.176,646 0.049,647 0.099,648 0.033,649 0.053,650 0.049,651 0.064,652 0.101,653 0.084,654 0.103,655 -0.001,656 0.046,657 4.722,658 5.658,659 0.778,660 24.752,661 1.03,662 1.123,663 2.673,664 7.143,665 0.737,666 3.434,667 3.807,668 4.043,669 4.304,670 4.533,671 4.554,672 4.736,673 4.828,674 4.844,675 4.949,676 6.487,677 0.717,678 400.88,679 3.434,680 5.004,681 5.855,682 6.751,683 7.62,684 8.515,685 9.392,686 10.287,687 11.168,688 12.062,689 15,693 1,694 1,697 1,699 3,703 1,704 10,705 3,709 6,711 22,722 1,730 1,731 40,733 24,734 1,735 30,737 43,738 17,739 17,740 2,741 4,746 4,747 5,748 1,761 17,766 2,769 1,771 2,778 1,781 13,782 7,783 3,784 10,785 2,790 6,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,845 1,848 27,849 1,852 1,855 1,867 1,869 1,870 5,873 2,877 13.917,878 7.11,879 5.681,880 2.073,881 4.128,882 1.546,883 1.047,884 4.477,885 11.695,886 3.784,887 4.491,888 5.062,889 5.68,890 6.239,891 6.525,892 7.029,893 7.446,894 7.727,895 8.16,896 0.875,897 42,898 10.164,900 4.688,901 8.026,902 18.358,904 15.257,905 2.526,906 68.194,909 1,910 117.711,911 117.077,912 100.7,913 39.149,914 44.313,916 5.807,917 111.27,918 201.173,919 100.7,922 114.086,923 136.21,924 33.438,925 13.67,926 82.398,927 39.149,928 117.711,929 211.97,930 44.313,931 44.956,933 117.711,934 44.313,937 22.873,938 122.458,939 111.595,941 117.711,942 145.013,943 156.226,945 5.807,946 117.711,947 17.794,948 94.64,949 16.405,950 166.593,951 117.711,952 145.013,953 156.226,955 0.598,956 0.338,957 0.176,958 0.1,959 23,960 10,961 0.093,962 4,963 1,964 1.095,965 3.876,966 235.154,967 0.095,968 21,969 122.382,973 1,974 17.737,975 6.815,976 3.735,977 0.595,978 143.849,979 16.012,980 12.169,984 2.463,986 49.302,987 418.95,988 43,991 -3.805,993 25.315,999 41.2,1000 44.933,1001 0.365,1002 0.692,1003 0.861,1004 0.944,1005 0.944,1006 0.944,1007 5.027,1008 1.518,1009 5.889,1010 5.007,1011 4.489,1012 5.179,1014 6.742,1015 4.366,1016 6.299,1017 1.233,1018 7.482,1019 4.337,1020 4.29,1021 5.27,1023 7.908,1024 4.055,1025 7.662,1026 1.083,1027 9.183,1028 3.517,1029 6.176,1030 7.555,1032 10.934,1033 5.926,1034 9.065,1035 1,1036 10.952,1037 2.497,1038 6.758,1039 8.435,1041 12.94,1042 6.389,1043 10.5,1044 0.41,1045 12.767,1046 2.275,1047 8.185,1048 10.248,1050 15.575,1051 7.791,1052 11.959,1053 0.143,1054 14.616,1055 1.08,1056 9.11,1057 11.48,1059 17.901,1060 8.601,1061 13.438,1062 -0.434,1063 16.491,1064 0.344,1065 10.374,1066 13.114,1068 20.436,1069 9.818,1070 3.4,1071 -0.613,1072 18.387,1073 -1.148,1074 11.451,1075 14.507,1077 22.881,1078 10.788,1079 3.039,1080 12.533,1081 20.299,1082 -1.582,1083 12.661,1084 16.073,1086 25.397,1087 11.932,1088 2.71,1089 9.726,1090 22.225,1091 4.714,1092 13.805,1093 17.539,1095 27.888,1096 12.974,1097 2.558,1098 8.748,1099 24.161,1100 4.444,1101 15.002,1102 19.08,1104 30.404,1105 14.092,1106 2.078,1107 7.127,1108 26.106,1109 3.699,1110 16.177,1111 20.581,1113 32.914,1114 15.17,1115 1.966,1116 5.808,1117 28.059,1118 3.582,1119 17.374,1120 22.114,1122 35.433,1123 16.28,1124 1.747,1125 5.434,1126 30.017,1127 2.89,1128 18.566,1129 23.631,1131 37.952,1132 17.375,1133 8675,1134 16586,1135 19.879,1136 29.494,1137 46.028,1138 46.823,1139 46.833,1140 45.923,1141 45.772,1142 64.906,1144 136.866,1145 42.932,1146 5.689,1147 6.687,1148 6.854,1149 5.394,1150 5.4,1151 7.714,1153 19.962,1154 5.106,1155 13.329,1156 1.534,1157 1.561,1158 1.561,1159 1.531,1160 1.526,1161 2.164,1163 4.562,1164 1.431,1165 4.139,1166 4.176,1167 4.737,1168 4.076,1169 7.717,1170 4.025,1171 4.026,1172 4.032,1173 4.074,1174 3.894,1175 6.999,1176 3.886,1177 3.849,1178 3.873,1179 3.974,1180 3.793,1181 5.303,1182 3.773,1183 3.588,1184 3.583,1185 3.677,1186 3.465,1187 4.946,1188 3.43,1189 3.306,1190 3.372,1191 3.31,1192 3.104,1193 4.88,1194 3.124,1195 2.915,1196 2.982,1197 3.239,1198 2.805,1199 4.734,1200 2.792,1201 2.881,1202 2.945,1203 2.802,1204 2.74,1205 4.36,1206 2.734,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 4.147,1212 2.715,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.861,1219 0.157,1220 4.687,1222 7.312,1223 0.418,1224 4.32,1225 0.104,1226 3.4,1227 4.714,1229 12.533,1230 3.106,1231 1.994,1232 1.987,1233 2.031,1234 2.102,1235 1.189,1236 2.105,1237 1.89,1238 1.867,1239 1.964,1240 1.997,1241 1.073,1242 2.006,1243 1.763,1244 1.752,1245 1.787,1246 1.88,1247 0.945,1248 1.889,1249 1.372,1250 1.383,1251 1.449,1252 1.651,1253 0.506,1254 1.602,1255 1.306,1256 1.225,1257 1.187,1258 1.539,1259 0.238,1260 1.564,1261 0.9,1262 0.851,1263 1.181,1264 1.133,1265 0.218,1266 1.124,1267 0.886,1268 0.821,1269 1.105,1270 1.064,1271 0.128,1272 1.107,1273 0.815,1274 0.763,1275 1.041,1276 1.062,1277 0.015,1278 1.074,1279 4.111,1281 5.468,1282 2.398,1283 7.008,1284 4.727,1285 8.626,1286 6.804,1287 10.285,1290 5.825,1293 5.592,1296 2.503,1305 28.68,1306 77.775,1307 147.251,1308 183.226,1309 200.877,1310 200.877,1311 200.877,1312 48.076,1313 7.567,1314 115.27,1315 123.65,1316 23,1317 12.591,1318 4.644,1319 3.807,1320 40.278,1321 105,1322 111,1323 0.188,1324 183.215,1325 300.52,1326 438.804,1327 20422,1328 2.5,1329 19.018,1330 0.704,1331 0.567,1332 19.768,1333 15.315,1334 12.904,1335 0.43,1336 0.321,1337 7.802,1338 11.336,1339 7.511,1340 6.209,1341 14.014,1342 9.625,1343 12.612,1344 0.287,1345 0.178,1346 14.321,1347 7.831,1348 10.027,1349 0.179,1350 0.096,1351 11.407,1352 5.401,1353 8.329,1354 0.114,1355 0.051,1356 9.535,1357 3.699,1358 6.905,1359 0.075,1360 0.029,1361 8.085,1362 2.631,1363 0.295,1364 92.37,1365 0.224,1366 25.944,1367 0.513,1368 148,1369 486.76,1370 215.586,1371 527.423,1372 709.21,1373 484,1374 174,1375 484.259,1376 244.952,1377 535.884,1378 777.93,1379 501,1380 5.4}
{0 CHEMBL2064510,1 1.785,2 11.444,3 1.837,4 3.373,5 103.725,6 8.848,7 0.733,8 3.902,9 4.007,10 3.765,11 3.492,12 5.07,13 3.472,14 4.389,15 4.523,16 4.05,17 3.865,18 5.802,19 3.834,20 4.588,21 4.754,22 4.036,23 3.964,24 5.793,25 3.896,26 4.66,27 4.861,28 3.959,29 3.883,30 5.91,31 3.803,32 4.51,33 4.709,34 3.938,35 3.808,36 5.735,37 3.73,38 4.515,39 4.703,40 3.894,41 3.763,42 5.827,43 3.704,44 4.396,45 4.564,46 3.786,47 3.645,48 5.756,49 3.607,50 4.303,51 4.506,52 3.624,53 3.541,54 5.591,55 3.478,56 0.143,57 0.735,58 9.03,59 3.748,60 19.173,61 3.876,62 0.413,63 1.126,64 13.673,65 6.099,66 52.431,67 6.784,68 0.327,69 1.292,70 22.133,71 8.417,72 39.386,73 9.251,74 0.59,75 1.273,76 22.697,77 8.246,78 76.957,79 9.265,80 0.339,81 1.15,82 22.585,83 7.989,84 35.661,85 8.872,86 0.454,87 1.106,88 24.23,89 7.897,90 61.264,91 8.264,92 0.5,93 0.988,94 18.197,95 6.256,96 57.137,97 6.549,98 0.421,99 0.906,100 15.52,101 5.499,102 55.552,103 6.63,104 10,105 43,106 0.303,107 0.619,108 0.769,109 0.856,110 0.867,111 0.867,112 3.34,113 0.96,114 -3.37,115 -3.35,116 -3.21,119 41.9,125 1,142 8,143 3,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 10,174 3,175 4,177 2,178 4,180 1,183 9,187 9,189 1,190 1,192 3,195 5,198 2,199 9,202 1,204 4,207 1,209 1,211 1,212 9,217 4,220 1,222 2,223 1,224 8,229 2,232 3,234 1,236 3,237 6,240 1,242 2,245 5,247 1,249 2,250 2,252 1,253 2,258 6,262 2,263 2,266 1,271 6,275 1113,276 18.126,277 18.126,278 18.126,279 18.126,280 18.126,281 15.29,282 11.257,283 10.632,284 18.54,285 14.838,286 14.838,287 14.838,288 14.838,289 14.838,290 10.516,291 11.7,292 5.09,293 15.538,294 3.641,295 1.786,296 0.901,297 0.39,298 0.326,299 0.326,300 4.036,303 1,304 1,305 1,306 679,307 3.391,310 64.913,311 254.087,314 111.123,318 1.868,319 32.239,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59,331 309,332 4.851,333 4.685,334 7.298,335 4.304,336 3.385,337 4.705,338 0.522,339 12.435,340 3.088,341 4.502,342 3.053,343 6.326,344 3.989,345 3.038,346 4.444,348 9.724,349 2.899,350 4.095,351 2.75,352 6.038,353 3.672,354 2.702,355 3.687,357 8.74,358 2.604,359 3.888,360 2.708,361 5.346,362 3.494,363 2.5,364 3.44,366 6.963,367 2.483,368 3.464,369 2.085,370 4.934,371 2.955,372 2.01,373 2.882,375 5.584,376 1.903,377 3.217,378 1.862,379 4.794,380 2.735,381 1.787,382 2.495,384 5.134,385 1.685,386 3.014,387 1.623,388 4.456,389 2.497,390 1.522,391 2.263,393 4.35,394 1.49,395 2.923,396 1.52,397 4.233,398 2.474,399 1.501,400 2.093,402 3.575,403 1.45,404 2.737,405 1.362,406 3.647,407 2.225,408 1.249,409 1.833,411 3.129,412 1.214,413 2.58,414 1.106,415 3.492,416 2.027,417 1.087,418 1.616,420 2.502,421 1.018,422 2.5,423 1,424 3.259,425 2,426 1,427 1.5,428 2.136,429 1,430 1.903,431 0.802,432 3.247,433 1.536,434 0.586,435 0.694,436 1.376,437 0.555,438 1.824,439 0.411,440 3.161,441 1.374,442 0.41,443 0.61,445 1.08,446 0.394,447 1,448 0.1,449 2.704,450 0.514,451 -0.434,452 -0.572,454 -1.147,455 -0.408,456 0.963,457 -0.347,458 2.6,459 0.42,460 -0.571,461 -0.711,463 -1.328,464 -0.56,465 12.9,466 0.478,467 0.748,468 0.028,469 41.25,470 1.528,471 23.5,472 0.87,473 17.75,474 0.657,475 16.879,476 0.625,477 27.9,478 0.649,479 30.875,480 1.144,481 8.104,482 0.3,483 4.906,484 0.182,485 0.083,486 0.065,487 0.264,493 0.612,494 1.234,495 0.781,496 1.14,497 0.76,498 0.834,499 0.595,500 0.969,501 0.855,502 0.939,503 0.534,504 0.909,505 0.975,506 1.211,507 1.224,508 1.299,509 0.917,510 1.134,511 1.339,512 0.951,513 1.016,514 0.896,515 1.429,516 1.023,517 1.033,518 1.049,519 1.139,520 1.135,521 0.936,522 0.956,523 1.484,524 1.002,525 1.277,526 1.143,527 1.565,528 0.938,529 1.515,530 1.007,531 1.167,532 1.055,533 1.832,534 1.028,535 1.046,536 0.9,537 0.882,538 0.879,539 1.21,540 0.994,541 6.5,542 0.053,543 3.333,544 1.792,545 1.279,546 1.191,547 0.558,548 0.338,549 0.309,550 0.197,551 9467,552 28719,553 2.11,554 37.2,556 10,557 1,558 2,559 3,564 1.699,565 1.988,566 3.486,567 1.018,568 1,569 1,573 76.761,574 1.785,575 3.64,576 4.525,577 5.037,578 5.101,579 5.101,580 2.936,581 4.459,582 4.725,583 3.63,584 1274.06,585 8.196,586 16399.2,588 1,590 1,591 233.329,592 1.481,593 4.685,594 0.217,595 0.003,596 0.078,597 0.044,598 0.037,599 0.034,600 0.016,601 0.011,602 0.012,603 0.009,604 0.46,605 0.33,606 1,607 0.528,608 134.416,609 0.071,610 -0.065,611 0.198,612 -0.06,613 -0.202,614 0.044,615 0.301,616 0.133,617 0.004,618 0.016,619 0.278,620 -0.039,621 -0.098,622 -0.191,623 -0.161,624 -0.214,625 -0.046,626 -0.159,627 -0.141,628 -0.006,629 -0.043,630 0.058,631 -0.146,632 -0.06,633 -0.065,634 -0.056,635 0.042,636 -0.018,637 0.041,638 0.06,639 -0.209,640 -0.041,641 -0.069,642 -0.018,643 -0.098,644 0.06,645 -0.121,646 -0.034,647 -0.159,648 -0.067,649 -0.221,650 -0.11,651 0.042,652 0.054,653 0.011,654 0.025,655 -0.064,656 -0.037,657 4.611,658 5.61,659 0.778,660 25.893,661 1.018,662 1.126,663 2.137,664 4.565,665 0.707,666 3.434,667 3.784,668 4.025,669 4.263,670 4.489,671 4.511,672 4.673,673 4.779,674 4.82,675 4.898,676 6.627,677 0.683,678 380.47,679 3.434,680 4.99,681 5.838,682 6.723,683 7.588,684 8.474,685 9.348,686 10.235,687 11.114,688 12.002,689 14,691 1,693 1,697 1,699 3,703 1,704 11,705 3,709 5,711 22,722 1,731 43,733 24,734 1,735 30,737 46,738 18,739 17,740 1,741 5,746 4,747 5,761 17,762 1,766 2,769 1,771 2,777 1,778 1,781 16,782 7,783 3,784 9,785 1,790 6,794 0.75,795 2,805 2,811 1,812 3,815 1,840 3,842 1,848 27,849 1,852 1,854 1,855 1,867 1,870 4.7,873 2,877 13.583,878 7.55,879 5.764,880 2.28,881 4.068,882 1.541,883 1.043,884 4.52,885 11.593,886 3.784,887 4.469,888 5.039,889 5.632,890 6.187,891 6.465,892 6.963,893 7.388,894 7.686,895 8.093,896 0.875,897 41,898 10.168,900 4.632,901 7.941,902 18.614,904 15.439,905 2.441,906 65.917,910 153.024,911 125.587,912 100.7,914 44.313,916 5.807,917 119.78,918 197.337,919 100.7,921 2.106,922 139.967,923 119.805,924 30.366,925 13.67,926 117.711,928 153.024,929 220.48,930 44.313,931 5.807,933 153.024,934 44.313,937 41.384,938 128.862,939 56.042,941 153.024,942 145.013,943 125.587,945 5.807,946 153.024,947 16.828,948 104.116,949 16.405,950 127.444,951 153.024,952 145.013,953 125.587,955 0.59,956 0.336,957 0.174,958 0.097,959 22,960 9,961 0.109,962 5,963 1,964 1.095,965 3.939,966 231.834,967 0.095,968 21,969 120.382,973 1,974 17.465,975 6.988,976 3.771,977 0.609,978 143.849,979 19.1,980 12.21,984 2.536,986 49.302,987 423.625,988 43,991 -3.695,993 25.219,999 43.76,1000 48.405,1001 0.329,1002 0.671,1003 0.834,1004 0.928,1005 0.94,1006 0.94,1007 5.014,1008 1.501,1009 5.855,1010 4.35,1011 4.466,1012 5.156,1013 0.434,1014 6.696,1015 4.374,1016 6.271,1017 1.249,1018 7.439,1019 3.575,1020 4.205,1021 5.198,1023 7.867,1024 4.023,1025 7.625,1026 1.087,1027 9.137,1028 3.129,1029 6.138,1030 7.52,1031 0.138,1032 10.886,1033 5.928,1034 9.023,1035 1,1036 10.906,1037 2.502,1038 6.698,1039 8.386,1041 12.906,1042 6.377,1043 10.457,1044 0.586,1045 12.724,1046 2.136,1047 8.145,1048 10.214,1049 0.039,1050 15.527,1051 7.79,1052 11.917,1053 0.41,1054 14.577,1055 1.376,1056 9.062,1057 11.443,1059 17.855,1060 8.589,1061 13.397,1062 -0.434,1063 16.457,1064 1.08,1065 10.334,1066 13.085,1067 0.011,1068 20.378,1069 9.809,1070 3.385,1071 -0.571,1072 18.355,1073 -1.147,1074 11.406,1075 14.478,1077 22.819,1078 10.769,1079 3.038,1080 12.435,1081 20.27,1082 -1.328,1083 12.618,1084 16.046,1085 0.003,1086 25.324,1087 11.91,1088 2.702,1089 9.724,1090 22.197,1091 4.705,1092 13.758,1093 17.513,1095 27.807,1096 12.944,1097 2.5,1098 8.74,1099 24.134,1100 4.444,1101 14.953,1102 19.055,1103 0.001,1104 30.314,1105 14.057,1106 2.01,1107 6.963,1108 26.079,1109 3.687,1110 16.125,1111 20.555,1113 32.816,1114 15.126,1115 1.787,1116 5.584,1117 28.031,1118 3.44,1119 17.319,1120 22.088,1122 35.327,1123 16.23,1124 1.522,1125 5.134,1126 29.988,1127 2.882,1128 18.506,1129 23.605,1131 37.837,1132 17.317,1133 8884,1134 15664,1135 20.167,1136 30.398,1137 45.729,1138 46.095,1139 45.928,1140 45.604,1141 45.554,1142 64.526,1143 1.043,1144 133.455,1145 43.567,1146 5.72,1147 6.685,1148 7.1,1149 5.374,1150 5.385,1151 7.705,1152 1.043,1153 19.72,1154 5.088,1155 11.331,1156 1.524,1157 1.537,1158 1.531,1159 1.52,1160 1.518,1161 2.151,1162 0.035,1163 4.448,1164 1.452,1165 4.137,1166 4.175,1167 4.735,1168 4.07,1169 7.717,1170 4.021,1171 4.018,1172 4.025,1173 4.074,1174 3.887,1175 6.999,1176 3.875,1177 3.882,1178 3.908,1179 3.821,1180 3.826,1181 5.303,1182 3.805,1183 3.616,1184 3.629,1185 3.676,1186 3.48,1187 4.884,1188 3.453,1189 3.316,1190 3.388,1191 3.245,1192 3.115,1193 4.754,1194 3.136,1195 3.122,1196 3.168,1197 3.011,1198 2.98,1199 4.733,1200 2.96,1201 2.905,1202 2.981,1203 2.802,1204 2.751,1205 4.147,1206 2.751,1207 2.854,1208 2.93,1209 2.687,1210 2.735,1211 4.003,1212 2.715,1213 0.162,1214 0.156,1215 0.243,1216 0.143,1217 0.113,1218 4.851,1219 0.157,1220 4.685,1221 0.017,1222 7.298,1223 0.415,1224 4.304,1225 0.103,1226 3.385,1227 4.705,1228 0.522,1229 12.435,1230 3.088,1231 1.992,1232 1.983,1233 2.041,1234 2.102,1235 1.204,1236 2.104,1237 1.911,1238 1.881,1239 2.027,1240 2.011,1241 1.14,1242 2.023,1243 1.785,1244 1.778,1245 1.791,1246 1.912,1247 0.968,1248 1.926,1249 1.429,1250 1.418,1251 1.523,1252 1.651,1253 0.69,1254 1.643,1255 1.312,1256 1.227,1257 1.448,1258 1.628,1259 0.419,1260 1.601,1261 1.097,1262 1.058,1263 1.181,1264 1.27,1265 0.225,1266 1.306,1267 0.886,1268 0.821,1269 1.131,1270 1.129,1271 0.218,1272 1.122,1273 0.868,1274 0.816,1275 1.083,1276 1.062,1277 0.059,1278 1.107,1279 4.111,1281 5.451,1282 2.398,1283 6.98,1284 4.727,1285 8.588,1286 6.804,1287 10.238,1293 5.599,1295 0.206,1296 2.591,1305 29.379,1306 76.761,1307 156.521,1308 194.574,1309 216.574,1310 219.329,1311 219.329,1312 46.393,1313 7.525,1314 115.27,1315 123.65,1316 23,1317 12.534,1318 4.644,1319 3.807,1320 40.296,1321 107,1322 107,1323 0.183,1324 184.474,1325 302.61,1326 441.877,1327 19839,1329 18.855,1330 0.698,1331 0.554,1332 19.105,1333 14.965,1334 13.01,1335 0.434,1336 0.32,1337 8.126,1338 11.727,1339 7.855,1340 6.52,1341 13.831,1342 9.604,1343 12.325,1344 0.287,1345 0.179,1346 13.648,1347 7.677,1348 9.999,1349 0.182,1350 0.098,1351 11.077,1352 5.382,1353 8.142,1354 0.116,1355 0.052,1356 9.013,1357 3.657,1358 6.721,1359 0.076,1360 0.03,1361 7.63,1362 2.61,1363 0.288,1364 89.878,1365 0.223,1366 26.085,1367 0.496,1368 146,1369 456.557,1370 197.734,1371 468.848,1372 641.78,1373 432,1374 171,1375 456.833,1376 230.356,1377 498.999,1378 723.47,1379 467,1380 4.7}
{0 CHEMBL2064511,1 1.829,2 9.304,3 0.979,4 0.959,5 88.279,6 8.524,7 0.64,8 3.795,9 3.912,10 3.641,11 3.327,12 4.936,13 3.303,14 4.308,15 4.47,16 3.935,17 3.696,18 5.716,19 3.666,20 4.5,21 4.684,22 3.943,23 3.82,24 5.701,25 3.748,26 4.587,27 4.797,28 3.854,29 3.774,30 5.872,31 3.696,32 4.443,33 4.628,34 3.69,35 3.641,36 5.743,37 3.586,38 4.331,39 4.532,40 3.61,41 3.576,42 5.519,43 3.489,44 4.329,45 4.576,46 3.514,47 3.42,48 5.501,49 3.34,50 4.034,51 4.229,52 3.357,53 3.246,54 5.344,55 3.168,56 0.145,57 0.674,58 9.452,59 3.388,60 19.062,61 3.887,62 0.432,63 1.012,64 15.239,65 5.691,66 57.814,67 6.92,68 0.39,69 1.147,70 22.113,71 7.16,72 42.244,73 8.423,74 0.59,75 1.102,76 28.674,77 8.344,78 74.727,79 9.698,80 0.533,81 0.956,82 19.425,83 6.25,84 79.913,85 7.192,86 0.299,87 0.918,88 17.922,89 6.029,90 32.73,91 7.669,92 0.515,93 0.825,94 19.951,95 5.31,96 51.344,97 7.141,98 0.323,99 0.661,100 11.98,101 4.086,102 40.453,103 5.312,104 29,105 37,106 0.322,107 0.685,108 0.804,109 0.835,110 0.835,111 0.835,112 3.189,113 1.012,114 -2.6,115 -2.62,116 -2.55,119 35.9,120 2,127 1,142 3,143 2,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 4,177 2,178 4,180 2,183 4,187 9,189 1,190 1,192 1,195 2,198 2,199 11,202 1,204 2,207 1,209 1,211 1,212 5,217 3,220 2,222 2,223 1,224 5,229 2,232 2,234 1,236 3,237 2,240 1,242 2,245 2,247 1,249 2,252 1,253 2,258 2,262 2,263 2,266 1,271 2,275 690,276 14.85,277 14.85,278 14.85,279 14.85,280 14.85,281 12.765,282 9.2,283 8.537,284 15.291,285 12.364,286 12.364,287 12.364,288 12.364,289 12.364,290 9.099,291 6.314,292 4.066,293 13.09,294 3.457,295 1.402,296 0.725,297 0.552,298 0.552,299 0.552,300 3.862,304 1,305 1,306 452,307 3.606,310 52.849,311 130.714,314 90.655,318 1.448,319 30.421,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51,331 214,332 4.856,333 4.686,334 7.31,335 4.315,336 3.396,337 4.707,339 12.515,340 3.099,341 4.502,342 3.054,343 6.326,344 3.99,345 3.039,346 4.444,348 9.725,349 2.901,350 4.095,351 2.723,352 6.038,353 3.673,354 2.703,355 3.687,357 8.744,358 2.604,359 3.473,360 2.329,361 5.063,362 3.081,363 2.123,364 2.886,366 5.788,367 2.028,368 3.232,369 2.065,370 4.81,371 2.897,372 1.96,373 2.5,375 5.282,376 1.84,377 3.051,378 1.76,379 4.509,380 2.689,381 1.732,382 2.265,384 4.591,385 1.651,386 3.008,387 1.52,388 4.391,389 2.476,390 1.517,391 2.071,393 4.286,394 1.45,395 2.723,396 1.301,397 4.149,398 2.205,399 1.226,400 1.8,402 3.463,403 1.197,404 2.578,405 1.099,406 3.484,407 2.022,408 1.082,409 1.611,411 2.492,412 1.014,413 1.903,414 0.412,415 3.163,416 1.374,417 0.41,418 0.61,420 1.08,421 0.394,422 1,423 0.176,424 2.938,425 0.588,426 -0.379,427 -0.416,428 -1.059,429 -0.362,430 0.963,431 -0.338,432 2.624,433 0.513,434 -0.437,435 -0.574,436 -1.171,437 -0.413,438 0.797,439 -0.351,440 2.525,441 0.284,442 -0.653,443 -0.851,445 -1.622,446 -0.604,447 0.752,448 -0.604,449 2.209,450 0.161,451 -0.782,452 -1,454 -2,455 -0.725,456 0.656,457 -0.946,458 2,460 -1,461 -1.094,463 -2.206,464 -0.946,465 10.9,466 0.474,467 0.824,468 0.036,469 32.75,470 1.424,471 17.5,472 0.761,473 15.25,474 0.663,475 16.11,476 0.7,477 25.1,478 0.644,479 23.905,480 1.039,481 6.143,482 0.267,483 4.705,484 0.205,485 0.19,486 0.076,487 0.312,493 0.624,494 1.414,495 0.811,496 1.269,497 0.78,498 0.93,499 0.564,500 1.028,501 0.767,502 0.911,503 0.486,504 0.837,505 1.083,506 1.123,507 1.178,508 1.165,509 0.953,510 1.029,511 1.218,512 0.963,513 1.279,514 1.144,515 1.26,516 0.938,517 1.721,518 0.96,519 1.09,520 0.883,521 1.961,522 1.006,523 0.893,524 1.28,525 1.065,526 1.27,527 0.84,528 1.221,529 1.042,530 0.8,531 0.903,532 0.792,533 1.093,534 0.845,535 0.87,536 1.093,537 0.93,538 1.114,539 1.045,540 1.224,541 7,542 0.074,543 3.111,544 2.104,545 1.128,546 0.934,547 0.478,548 0.393,549 0.252,550 0.205,551 5282,552 16953,553 2.006,554 41,556 4,557 1,558 2,559 3,561 6,564 1.658,565 1.828,566 3.218,567 1.161,569 1,571 1,573 71.318,574 1.829,575 3.884,576 4.561,577 4.734,578 4.734,579 4.734,580 2.703,581 4.263,582 4.496,583 3.342,584 845.551,585 7.744,586 9440.3,587 1,588 1,591 206.131,592 1.72,593 4.418,594 0.28,595 0.008,596 0.084,597 0.06,598 0.034,599 0.033,600 0.019,601 0.018,602 0.014,603 0.015,604 0.566,605 0.33,606 1,607 1.265,608 106.826,609 0.065,610 -0.144,611 0.216,612 -0.089,613 -0.213,614 0.026,615 0.335,616 0.1,617 0.137,618 0.091,619 0.335,620 0.096,621 -0.172,622 -0.043,623 -0.102,624 -0.057,625 -0.085,626 -0.051,627 -0.079,628 -0.001,629 -0.098,630 -0.014,631 0.001,632 0.07,633 -0.396,634 -0.013,635 -0.197,636 0.046,637 -0.37,638 -0.078,639 -0.065,640 -0.279,641 -0.115,642 -0.255,643 -0.037,644 -0.224,645 0.021,646 0.111,647 0.078,648 0.123,649 -0.058,650 0.123,651 0.125,652 -0.098,653 -0.064,654 -0.193,655 0.001,656 -0.279,657 4.512,658 5.247,659 0.652,660 17.304,661 1.019,662 1.139,663 1.368,664 1.871,665 0.677,666 3.258,667 3.638,668 3.85,669 4.127,670 4.29,671 4.344,672 4.522,673 4.615,674 4.615,675 4.673,676 5.543,677 0.651,678 332.43,679 3.258,680 4.828,681 5.673,682 6.578,683 7.444,684 8.347,685 9.222,686 10.124,687 11.004,688 11.904,689 15.4,691 1,693 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,722 1,731 39,733 18,735 25,737 41,738 14,739 11,746 3,747 4,752 2,758 1,761 11,762 3,766 2,769 1,771 2,777 1,778 1,781 16,782 7,783 3,784 9,785 1,790 6,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 2,848 23,849 1,852 1,855 1,858 1,867 1,870 5.1,873 2,877 12.583,878 7.467,879 4.847,880 2.169,881 3.32,882 1.474,883 0.998,884 3.961,885 10.324,886 3.584,887 4.287,888 4.849,889 5.479,890 6.01,891 6.368,892 6.887,893 7.313,894 7.59,895 8.003,896 1,897 35,898 8.674,900 3.938,901 8.025,902 15.768,904 12.967,905 2.525,906 58.083,910 153.024,911 90.565,912 100.7,914 44.313,916 5.807,917 84.758,918 197.337,919 100.7,920 17.65,922 92.586,923 119.805,924 27.181,925 13.67,926 117.711,928 153.024,929 185.458,930 44.313,931 5.807,933 82.398,934 114.94,937 56.929,938 78.295,939 56.042,941 153.024,942 145.013,943 90.565,945 5.807,946 153.024,947 11.536,948 74.385,949 16.405,950 127.444,951 153.024,952 145.013,953 90.565,955 0.599,956 0.329,957 0.18,958 0.092,959 19,960 9,961 0.098,962 4,963 1,964 1.133,965 3.413,966 185.309,967 0.133,968 15,969 100.042,973 1,974 15.716,975 5.797,976 3.282,977 0.615,978 143.849,979 9.774,980 12.118,984 1.712,986 49.302,987 388.603,988 35,991 -3.596,993 24.493,999 39.76,1000 44.405,1001 0.346,1002 0.735,1003 0.863,1004 0.896,1005 0.896,1006 0.896,1007 4.836,1008 1.226,1009 5.727,1010 4.286,1011 4.317,1012 4.973,1014 6.6,1015 4.207,1016 6.116,1017 1.082,1018 7.335,1019 3.463,1020 4.205,1021 5.156,1023 7.832,1024 4.013,1025 7.489,1026 0.41,1027 9.054,1028 2.492,1029 6.028,1030 7.377,1032 10.855,1033 5.786,1034 8.904,1035 -0.379,1036 10.841,1037 1.08,1038 6.673,1039 8.339,1041 12.9,1042 6.332,1043 10.353,1044 -0.437,1045 12.674,1046 -1.059,1047 8.075,1048 10.12,1050 15.537,1051 7.68,1052 11.827,1053 -0.653,1054 14.539,1055 -1.171,1056 9.041,1057 11.409,1059 17.879,1060 8.543,1061 13.32,1062 -0.782,1063 16.429,1064 -1.622,1065 10.298,1066 13.03,1068 20.415,1069 9.735,1070 3.396,1071 -1,1072 18.337,1073 -2,1074 11.398,1075 14.456,1077 22.865,1078 10.735,1079 3.039,1080 12.515,1081 20.259,1082 -2.206,1083 12.608,1084 16.017,1086 25.38,1087 11.868,1088 2.703,1089 9.725,1090 22.192,1091 4.707,1092 13.765,1093 17.501,1095 27.871,1096 12.927,1097 2.123,1098 8.744,1099 24.135,1100 4.444,1101 14.963,1102 19.041,1104 30.386,1105 14.041,1106 1.96,1107 5.788,1108 26.085,1109 3.687,1110 16.145,1111 20.55,1113 32.895,1114 15.126,1115 1.732,1116 5.282,1117 28.041,1118 2.886,1119 17.343,1120 22.083,1122 35.413,1123 16.235,1124 1.517,1125 4.591,1126 30.003,1127 2.5,1128 18.537,1129 23.605,1131 37.931,1132 17.333,1133 5237,1134 9536,1135 16.008,1136 26.398,1137 38.84,1138 38.948,1139 39.288,1140 38.405,1141 38.375,1142 53.165,1144 115.933,1145 36.354,1146 5.682,1147 6.686,1148 6.852,1149 5.379,1150 5.396,1151 7.707,1153 19.904,1154 5.055,1155 13.363,1156 1.554,1157 1.558,1158 1.572,1159 1.536,1160 1.535,1161 2.127,1163 4.637,1164 1.454,1165 4.135,1166 4.174,1167 4.735,1168 4.066,1169 7.717,1170 4.017,1171 4.013,1172 4.012,1173 4.073,1174 3.882,1175 6.999,1176 3.857,1177 3.679,1178 3.735,1179 3.68,1180 3.526,1181 5.303,1182 3.519,1183 3.471,1184 3.496,1185 3.376,1186 3.338,1187 4.883,1188 3.3,1189 3.295,1190 3.352,1191 3.24,1192 3.094,1193 4.734,1194 3.105,1195 2.906,1196 3.009,1197 2.802,1198 2.752,1199 4.275,1200 2.753,1201 2.874,1202 2.981,1203 2.678,1204 2.618,1205 4.147,1206 2.57,1207 2.82,1208 2.932,1209 2.499,1210 2.523,1211 3.9,1212 2.544,1213 0.194,1214 0.187,1215 0.292,1216 0.173,1217 0.136,1218 4.856,1219 0.188,1220 4.686,1222 7.31,1223 0.501,1224 4.315,1225 0.124,1226 3.396,1227 4.707,1229 12.515,1230 3.099,1231 1.989,1232 1.98,1233 2.031,1234 2.101,1235 1.202,1236 2.103,1237 1.812,1238 1.801,1239 1.912,1240 1.963,1241 1.105,1242 1.98,1243 1.618,1244 1.553,1245 1.784,1246 1.809,1247 0.933,1248 1.822,1249 1.328,1250 1.314,1251 1.448,1252 1.651,1253 0.48,1254 1.602,1255 1.282,1256 1.221,1257 1.417,1258 1.476,1259 0.469,1260 1.515,1261 0.934,1262 0.821,1263 1.151,1264 1.239,1265 0.231,1266 1.308,1267 0.875,1268 0.804,1269 1.094,1270 1.132,1271 0.073,1272 1.123,1273 0.809,1274 0.72,1275 1.007,1276 1.059,1278 1.066,1279 3.932,1281 5.293,1282 2.398,1283 6.832,1284 4.727,1285 8.453,1286 6.804,1287 10.117,1289 3.524,1293 5.564,1296 2.535,1299 -0.196,1305 25.379,1306 71.318,1307 151.46,1308 177.866,1309 184.621,1310 184.621,1311 184.621,1312 43.73,1313 7.004,1314 115.27,1315 123.65,1316 17,1317 12.43,1318 4.248,1319 3.459,1320 36.831,1321 76,1322 72,1323 0.241,1324 162.28,1325 264.59,1326 387.724,1327 9251,1329 16.613,1330 0.722,1331 0.585,1332 16.863,1333 13.449,1334 10.848,1335 0.434,1336 0.337,1337 6.954,1338 9.581,1339 6.616,1340 5.557,1341 11.669,1342 8.43,1343 10.88,1344 0.294,1345 0.192,1346 12.181,1347 7.09,1348 8.012,1349 0.174,1350 0.103,1351 9.162,1352 4.721,1353 7.104,1354 0.116,1355 0.056,1356 8.195,1357 3.411,1358 5.221,1359 0.073,1360 0.029,1361 5.891,1362 2.059,1363 0.373,1364 76.861,1365 0.25,1366 22.336,1367 0.679,1368 124,1369 402.557,1370 176.067,1371 412.827,1372 561.95,1373 378,1374 145,1375 399.115,1376 205.86,1377 438.702,1378 636.31,1379 409,1380 5.6}
{0 CHEMBL2064512,1 1.819,2 10,3 1.073,4 1.152,5 91.055,6 8.611,7 0.593,8 3.839,9 3.951,10 3.693,11 3.396,12 4.939,13 3.374,14 4.347,15 4.503,16 3.942,17 3.746,18 5.717,19 3.705,20 4.524,21 4.716,22 3.933,23 3.823,24 5.696,25 3.754,26 4.565,27 4.771,28 3.883,29 3.77,30 5.814,31 3.694,32 4.414,33 4.597,34 3.805,35 3.693,36 5.645,37 3.633,38 4.432,39 4.628,40 3.67,41 3.621,42 5.682,43 3.555,44 4.281,45 4.48,46 3.587,47 3.484,48 5.49,49 3.415,50 4.192,51 4.431,52 3.426,53 3.334,54 5.4,55 3.253,56 0.145,57 0.706,58 9.405,59 3.57,60 20.614,61 3.98,62 0.428,63 1.055,64 14.959,65 5.979,66 57.988,67 7.108,68 0.371,69 1.163,70 23.61,71 7.697,72 44.845,73 9.081,74 0.613,75 1.114,76 23.192,77 7.315,78 80.163,79 8.459,80 0.351,81 1.006,82 22.078,83 7.158,84 46.005,85 7.955,86 0.497,87 0.959,88 20.838,89 6.462,90 71.679,91 7.475,92 0.417,93 0.865,94 16.356,95 5.309,96 40.388,97 6.631,98 0.412,99 0.751,100 15.835,101 4.74,102 50.47,103 6.359,104 10,105 40,106 0.318,107 0.691,108 0.83,109 0.859,110 0.859,111 0.859,112 3.229,113 1.007,114 -2.85,115 -2.86,116 -2.77,119 37.5,121 2,122 1,125 1,142 3,143 2,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 7,174 3,175 4,177 2,178 4,180 1,183 3,187 9,189 1,190 1,192 3,195 2,198 2,199 9,202 1,204 2,207 1,209 1,211 1,212 9,217 3,220 1,222 2,223 1,224 4,229 2,232 3,234 1,236 3,237 4,240 1,242 2,245 3,247 1,249 2,252 1,253 2,258 3,262 2,263 1,266 1,271 3,275 792,276 16.005,277 16.005,278 16.005,279 16.005,280 16.005,281 13.92,282 7.619,283 9.146,284 16.419,285 13.338,286 13.338,287 13.338,288 13.338,289 13.338,290 10.06,291 3.814,292 4.366,293 14.038,294 3.503,295 1.367,296 0.569,297 0.4,298 0.4,299 0.4,300 3.912,304 1,305 1,306 533,307 3.391,308 47.501,310 55.977,311 137.884,314 95.962,318 1.5,319 31.277,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 53,331 240,332 4.851,333 4.684,334 7.298,335 4.305,336 3.385,337 4.705,339 12.435,340 3.089,341 4.502,342 3.053,343 6.326,344 3.99,345 3.038,346 4.444,348 9.724,349 2.9,350 4.094,351 2.725,352 6.038,353 3.68,354 2.707,355 3.686,357 8.74,358 2.638,359 3.648,360 2.668,361 5.494,362 3.626,363 2.634,364 2.885,366 7.386,367 2.588,368 3.461,369 2.085,370 4.94,371 2.954,372 2.01,373 2.645,375 5.588,376 1.902,377 3.215,378 1.855,379 4.794,380 2.732,381 1.785,382 2.492,384 5.137,385 1.683,386 3.014,387 1.525,388 4.456,389 2.477,390 1.519,391 2.263,393 4.351,394 1.451,395 2.74,396 1.438,397 4.233,398 2.239,399 1.27,400 1.837,402 3.569,403 1.226,404 2.58,405 1.115,406 3.517,407 2.031,408 1.091,409 1.617,411 2.511,412 1.022,413 1.928,414 0.969,415 3.392,416 1.767,417 0.811,418 0.874,420 1.907,421 0.773,422 1.903,423 0.411,424 3.162,425 1.374,426 0.41,427 0.61,428 1.08,429 0.394,430 1,431 0.116,432 2.807,433 0.65,434 -0.333,435 -0.348,436 -0.805,437 -0.326,438 0.963,439 -0.313,440 2.617,441 0.514,442 -0.435,443 -0.573,445 -1.151,446 -0.41,447 0.768,448 -0.348,449 2.504,450 0.285,451 -0.651,452 -0.848,454 -1.613,455 -0.601,456 0.742,457 -0.604,458 2.209,459 0.162,460 -0.781,461 -1,463 -2.203,464 -0.723,465 11.4,466 0.475,467 0.748,468 0.031,469 33.75,470 1.406,471 17.5,472 0.729,473 16.25,474 0.677,475 16.465,476 0.686,477 25.8,478 0.645,479 23.898,480 0.996,481 6.137,482 0.256,483 5.373,484 0.224,485 0.094,486 0.073,487 0.298,493 0.61,494 1.337,495 0.789,496 1.211,497 0.726,498 0.887,499 0.579,500 1.044,501 0.858,502 0.997,503 0.487,504 0.973,505 0.981,506 1.176,507 1.143,508 1.211,509 0.877,510 1.006,511 1.398,512 0.859,513 1.061,514 0.839,515 1.462,516 0.906,517 1.186,518 1.133,519 1.296,520 1.293,521 1.237,522 1.023,523 1.555,524 1.006,525 1.146,526 1.007,527 1.715,528 1.022,529 1.022,530 1.108,531 1.013,532 1.083,533 1.154,534 1.13,535 0.88,536 0.808,537 0.81,538 0.809,539 0.947,540 0.913,541 6.5,542 0.049,543 3.389,544 1.826,545 1.163,546 1.07,547 0.444,548 0.279,549 0.255,550 0.165,551 6797,552 19670,553 2.125,554 40,555 4,556 5,557 1,558 2,559 3,561 1,564 1.669,565 1.986,566 3.306,567 1.121,568 1,569 1,571 1,573 72.764,574 1.819,575 3.955,576 4.753,577 4.922,578 4.922,579 4.922,580 2.757,581 4.252,582 4.555,583 3.444,584 950.529,585 7.861,586 11036.6,587 1,588 1,591 212.877,592 1.564,593 4.509,594 0.241,595 0.004,596 0.092,597 0.051,598 0.036,599 0.033,600 0.016,601 0.012,602 0.013,603 0.01,604 0.508,605 0.33,606 1,607 0.566,608 113.803,609 0.066,610 -0.095,611 0.211,612 -0.061,613 -0.161,614 0.048,615 0.305,616 0.073,617 0.028,618 -0.009,619 0.323,620 -0.054,621 -0.085,622 -0.15,623 -0.046,624 -0.104,625 -0.003,626 -0.005,627 -0.182,628 0.104,629 -0.038,630 0.15,631 -0.151,632 0.046,633 -0.141,634 -0.112,635 -0.136,636 -0.146,637 -0.086,638 -0.027,639 -0.302,640 -0.072,641 -0.156,642 -0.02,643 -0.254,644 -0.061,645 0.026,646 -0.125,647 -0.086,648 -0.142,649 -0.092,650 -0.185,651 0.114,652 0.117,653 0.111,654 0.085,655 0.032,656 0.061,657 4.468,658 5.368,659 0.75,660 19.75,661 1.019,662 1.135,663 1.624,664 2.638,665 0.685,666 3.332,667 3.714,668 3.912,669 4.143,670 4.369,671 4.443,672 4.575,673 4.673,674 4.7,675 4.787,676 5.879,677 0.659,678 344.44,679 3.332,680 4.905,681 5.765,682 6.663,683 7.54,684 8.435,685 9.318,686 10.212,687 11.097,688 11.991,689 15,691 1,693 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,722 1,731 40,733 18,735 27,737 43,738 15,739 11,746 4,747 5,755 2,756 1,758 2,761 11,762 4,763 1,766 2,769 1,771 2,777 1,778 1,781 16,782 7,783 3,784 9,785 1,790 6,794 0.75,795 2,805 2,809 1,811 1,812 2,815 1,840 3,842 1,848 24,849 1,852 1,854 3,855 1,858 1,867 1,870 5,873 2,877 12.083,878 6.967,879 5.014,880 2.294,881 3.3,882 1.458,883 1.04,884 3.664,885 10.506,886 3.638,887 4.327,888 4.872,889 5.475,890 6.032,891 6.388,892 6.893,893 7.32,894 7.601,895 8.022,896 0.857,897 36,898 9.074,900 4.223,901 7.941,902 16.803,904 14.499,905 2.441,906 58.583,910 153.024,911 80.089,912 100.7,914 44.313,916 5.807,917 74.282,918 197.337,919 100.7,921 7.175,922 92.586,923 119.805,924 27.181,925 13.67,926 117.711,928 153.024,929 174.982,930 44.313,931 5.807,933 141.253,934 56.084,937 46.453,938 78.295,939 56.042,941 153.024,942 145.013,943 80.089,945 5.807,946 153.024,947 18.711,948 56.735,949 16.405,950 127.444,951 153.024,952 145.013,953 80.089,955 0.602,956 0.324,957 0.163,958 0.09,959 22,960 9,961 0.116,962 5,963 1,964 1.111,965 3.699,966 200.114,967 0.111,968 18,969 106.039,973 1,974 15.364,975 5.724,976 3.377,977 0.624,978 143.849,979 9.902,980 12.184,984 1.796,986 49.302,987 378.127,988 37,991 -3.552,993 24.737,999 40.76,1000 45.405,1001 0.342,1002 0.743,1003 0.893,1004 0.925,1005 0.925,1006 0.925,1007 4.898,1008 1.27,1009 5.802,1010 4.351,1011 4.394,1012 5.014,1014 6.666,1015 4.295,1016 6.172,1017 1.091,1018 7.407,1019 3.569,1020 4.29,1021 5.19,1023 7.908,1024 4.125,1025 7.543,1026 0.811,1027 9.122,1028 2.511,1029 6.116,1030 7.4,1032 10.889,1033 5.901,1034 8.955,1035 0.41,1036 10.903,1037 1.907,1038 6.758,1039 8.356,1041 12.923,1042 6.458,1043 10.399,1044 -0.333,1045 12.728,1046 1.08,1047 8.154,1048 10.13,1050 15.534,1051 7.801,1052 11.867,1053 -0.435,1054 14.585,1055 -0.805,1056 9.105,1057 11.414,1059 17.863,1060 8.657,1061 13.353,1062 -0.651,1063 16.466,1064 -1.151,1065 10.354,1066 13.032,1068 20.383,1069 9.841,1070 3.385,1071 -0.781,1072 18.365,1073 -1.613,1074 11.438,1075 14.455,1077 22.822,1078 10.826,1079 3.038,1080 12.435,1081 20.279,1082 -2.203,1083 12.639,1084 16.016,1086 25.326,1087 11.951,1088 2.707,1089 9.724,1090 22.205,1091 4.705,1092 13.782,1093 17.498,1095 27.809,1096 12.995,1097 2.634,1098 8.74,1099 24.141,1100 4.444,1101 14.971,1102 19.037,1104 30.315,1105 14.098,1106 2.01,1107 7.386,1108 26.085,1109 3.686,1110 16.142,1111 20.546,1113 32.817,1114 15.17,1115 1.785,1116 5.588,1117 28.036,1118 2.885,1119 17.333,1120 22.078,1122 35.327,1123 16.269,1124 1.519,1125 5.137,1126 29.992,1127 2.645,1128 18.519,1129 23.599,1131 37.837,1132 17.356,1133 6343,1134 10969,1135 18.087,1136 27.398,1137 41.723,1138 42.002,1139 42.115,1140 41.328,1141 41.321,1142 56.117,1144 124.856,1145 39.333,1146 5.81,1147 6.684,1148 6.84,1149 5.383,1150 5.385,1151 7.705,1153 19.721,1154 5.046,1155 10.457,1156 1.545,1157 1.556,1158 1.56,1159 1.531,1160 1.53,1161 2.078,1163 4.624,1164 1.457,1165 4.138,1166 4.176,1167 4.735,1168 4.07,1169 7.717,1170 4.02,1171 4.023,1172 4.036,1173 4.073,1174 3.886,1175 6.999,1176 3.869,1177 3.869,1178 3.91,1179 3.754,1180 3.774,1181 5.303,1182 3.755,1183 3.603,1184 3.609,1185 3.671,1186 3.47,1187 4.883,1188 3.438,1189 3.309,1190 3.38,1191 3.244,1192 3.105,1193 4.734,1194 3.125,1195 2.937,1196 3.018,1197 2.805,1198 2.767,1199 4.322,1200 2.766,1201 2.896,1202 2.979,1203 2.734,1204 2.676,1205 4.147,1206 2.662,1207 2.817,1208 2.924,1209 2.676,1210 2.518,1211 3.9,1212 2.539,1213 0.18,1214 0.173,1215 0.27,1216 0.159,1217 0.125,1218 4.851,1219 0.174,1220 4.684,1222 7.298,1223 0.461,1224 4.305,1225 0.114,1226 3.385,1227 4.705,1229 12.435,1230 3.089,1231 1.988,1232 1.978,1233 2.031,1234 2.1,1235 1.197,1236 2.1,1237 1.802,1238 1.795,1239 1.799,1240 1.945,1241 1.089,1242 1.96,1243 1.512,1244 1.469,1245 1.704,1246 1.714,1247 0.932,1248 1.722,1249 1.317,1250 1.248,1251 1.513,1252 1.651,1253 0.825,1254 1.601,1255 1.231,1256 1.207,1257 1.448,1258 1.397,1259 0.502,1260 1.439,1261 1.153,1262 1.064,1263 1.162,1264 1.376,1265 0.269,1266 1.429,1267 0.875,1268 0.821,1269 1.104,1270 1.131,1271 0.205,1272 1.123,1273 0.809,1274 0.72,1275 1.051,1276 1.059,1277 0.032,1278 1.067,1279 4.007,1280 1.946,1281 5.371,1282 3.932,1283 6.917,1284 5.82,1285 8.539,1286 7.647,1287 10.201,1293 5.58,1295 2.653,1296 2.637,1299 0.469,1305 26.379,1306 72.764,1307 158.206,1308 190.122,1309 196.877,1310 196.877,1311 196.877,1312 41.393,1313 7.206,1314 115.27,1315 123.65,1316 20,1317 12.519,1318 4.248,1319 3.459,1320 33.896,1321 84,1322 81,1323 0.197,1324 164.479,1325 269.53,1326 393.09,1327 12438,1329 16.734,1330 0.697,1331 0.565,1332 16.984,1333 13.57,1334 11.51,1335 0.426,1336 0.336,1337 7.587,1338 10.227,1339 7.347,1340 6.061,1341 12.331,1342 9.065,1343 11.264,1344 0.282,1345 0.192,1346 12.588,1347 7.662,1348 8.682,1349 0.177,1350 0.103,1351 9.76,1352 5.065,1353 6.954,1354 0.112,1355 0.055,1356 7.826,1357 3.413,1358 5.7,1359 0.073,1360 0.032,1361 6.61,1362 2.532,1363 0.307,1364 80.878,1365 0.235,1366 23.432,1367 0.546,1368 134,1369 412.557,1370 185.734,1371 421.955,1372 577.39,1373 388,1374 159,1375 410.833,1376 218.356,1377 449.719,1378 655.44,1379 421,1380 5.5}
{0 CHEMBL2064513,1 1.779,2 8.783,3 1.605,4 2.575,5 89.617,6 8.286,7 0.64,8 3.806,9 3.918,10 3.627,11 3.38,12 4.935,13 3.334,14 4.332,15 4.492,16 4.012,17 3.798,18 5.649,19 3.743,20 4.566,21 4.7,22 4.006,23 3.961,24 5.867,25 3.876,26 4.824,27 5.065,28 3.796,29 3.864,30 6.065,31 3.774,32 4.375,33 4.565,34 3.681,35 3.701,36 5.537,37 3.609,38 4.486,39 4.746,40 3.593,41 3.632,42 5.558,43 3.522,44 4.197,45 4.376,46 3.507,47 3.464,48 5.44,49 3.378,50 4.178,51 4.4,52 3.368,53 3.34,54 5.404,55 3.231,56 0.116,57 0.667,58 9.73,59 3.904,60 18.049,61 4.39,62 0.327,63 1.046,64 16.298,65 6.65,66 59.265,67 7.84,68 0.255,69 1.268,70 28.526,71 9.534,72 30.697,73 10.163,74 0.88,75 1.234,76 32.378,77 9.531,78 146.478,79 11.928,80 0.201,81 1.01,82 16.606,83 6.514,84 22.057,85 8.366,86 0.397,87 1.003,88 24.307,89 7.06,90 51.561,91 9.484,92 0.32,93 0.8,94 15.086,95 5.303,96 35.426,97 6.636,98 0.302,99 0.745,100 15.113,101 5.097,102 43.911,103 6.897,104 39,105 39,106 0.312,107 0.655,108 0.74,109 0.77,110 0.77,111 0.77,112 3.189,113 1.018,114 -3.6,115 -3.57,116 -3.41,119 37.5,120 3,130 1,142 3,143 2,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 4,177 2,178 2,183 6,187 15,189 1,190 1,195 2,198 2,199 7,204 1,207 4,209 1,211 1,212 8,217 2,220 3,222 2,223 1,224 3,229 1,232 3,234 1,236 3,237 2,242 1,245 3,247 1,249 2,250 3,252 1,253 1,258 3,262 2,263 3,275 660,276 14.499,277 14.499,278 14.499,279 14.499,280 14.499,281 12.451,282 8.061,283 8.054,284 15.068,285 12.319,286 12.319,287 12.319,288 12.319,289 12.319,290 9.085,291 7.018,292 3.811,293 13.269,294 3.542,295 1.589,296 1.101,297 0.932,298 0.932,299 0.932,300 3.857,303 1,304 1,305 1,306 425,307 3.873,310 52.616,311 129.997,314 90.175,318 1.376,319 31.796,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.5,331 202,332 5.093,333 5.509,334 8.294,335 4.636,336 3.764,337 4.863,338 2.95,339 15.26,340 3.249,341 4.505,342 3.419,343 6.339,344 4.001,345 3.047,346 4.446,348 9.747,349 2.923,350 4.124,351 3.047,352 6.139,353 3.713,354 2.75,355 3.713,357 8.866,358 2.63,359 3.63,360 2.694,361 5.934,362 3.317,363 2.368,364 2.968,366 7.781,367 2.224,368 3.341,369 2.06,370 4.824,371 2.878,372 1.95,373 2.584,375 5.396,376 1.808,377 3.131,378 1.698,379 4.596,380 2.608,381 1.651,382 2.331,384 4.702,385 1.575,386 3.009,387 1.518,388 4.418,389 2.473,390 1.514,391 2.236,393 4.267,394 1.447,395 2.698,396 1.249,397 4.153,398 2.152,399 1.17,400 1.751,402 3.342,403 1.146,404 2.573,405 1.097,406 3.487,407 2.006,408 1.062,409 1.596,411 2.477,412 0.999,413 1.903,414 0.413,415 3.165,416 1.374,417 0.41,418 0.61,420 1.08,421 0.394,422 1,423 0.297,424 3.084,425 0.514,426 -0.434,427 -0.573,428 -1.15,429 -0.409,430 0.963,431 -0.269,432 2.64,433 0.285,434 -0.651,435 -0.847,436 -1.612,437 -0.599,438 0.759,439 -0.348,440 2.561,441 0.162,442 -0.78,443 -1,445 -2.203,446 -0.722,447 0.659,448 -0.604,449 2.209,451 -1,452 -1,454 -2.705,455 -0.946,456 0.5,457 -0.946,458 2,460 -1,461 -1.08,463 -2.933,464 -0.959,465 11,466 0.478,467 0.99,468 0.043,469 32.5,470 1.413,471 17.5,472 0.761,473 15,474 0.652,475 17.797,476 0.774,477 25,478 0.625,479 23.851,480 1.037,481 5.873,482 0.255,483 4.808,484 0.209,485 0.233,486 0.121,487 0.264,493 0.569,494 1.301,495 0.832,496 1.206,497 0.762,498 0.943,499 0.594,500 0.884,501 0.697,502 0.808,503 0.559,504 0.718,505 1.054,506 1.474,507 1.83,508 1.899,509 0.931,510 1.384,511 1.742,512 0.67,513 0.871,514 0.565,515 2.033,516 0.769,517 0.744,518 1.271,519 0.959,520 1.187,521 0.653,522 1.235,523 0.911,524 0.823,525 0.909,526 0.848,527 0.761,528 0.833,529 1.003,530 1.204,531 1.056,532 1.196,533 1.195,534 1.234,535 0.76,536 1.181,537 0.851,538 1.103,539 0.931,540 1.187,541 7.5,542 0.11,543 4.222,544 2.104,545 1.208,546 1.031,547 0.678,548 0.369,549 0.31,550 0.247,551 5106,552 15815,553 1.971,554 42.5,556 3,557 1,558 2,559 2,561 9,564 1.658,565 1.769,566 3.139,567 0.407,568 1,569 1,571 1,573 71.177,574 1.779,575 3.733,576 4.221,577 4.39,578 4.39,579 4.39,580 2.541,581 4.002,582 4.5,583 3.27,584 827.304,585 7.749,586 9151.91,587 1,588 1,590 1,591 212.877,592 1.848,593 4.393,594 0.3,595 0.012,596 0.108,597 0.054,598 0.039,599 0.037,600 0.027,601 0.017,602 0.017,603 0.018,604 0.629,605 0.5,606 1,607 1.096,608 106.149,609 0.093,610 -0.056,611 0.206,612 -0.026,613 -0.195,614 0.032,615 0.264,616 0.238,617 0.289,618 0.266,619 0.257,620 0.255,621 -0.125,622 -0.312,623 -0.464,624 -0.534,625 0.046,626 -0.365,627 -0.268,628 0.136,629 0.017,630 0.289,631 -0.295,632 0.185,633 -0.042,634 -0.227,635 -0.129,636 -0.238,637 -0.039,638 -0.263,639 -0.05,640 0.105,641 0.087,642 0.111,643 0.014,644 0.171,645 0.041,646 -0.195,647 -0.143,648 -0.22,649 -0.092,650 -0.281,651 0.169,652 -0.246,653 0.026,654 -0.193,655 0.015,656 -0.213,657 4.379,658 5.569,659 0.652,660 15.943,661 1.014,662 1.133,663 2.372,664 5.628,665 0.679,666 3.258,667 3.689,668 3.932,669 4.094,670 4.29,671 4.369,672 4.543,673 4.635,674 4.615,675 4.71,676 5.355,677 0.647,678 331.44,679 3.258,680 4.86,681 5.727,682 6.64,683 7.531,684 8.439,685 9.337,686 10.243,687 11.144,688 12.049,689 12.5,693 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,722 1,731 40,733 18,735 25,737 42,738 15,739 11,746 3,747 4,752 3,761 11,762 4,763 1,766 2,769 1,771 2,777 1,778 1,781 17,782 6,783 2,784 8,785 1,790 5,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 3,848 23,849 1,851 1,860 1,867 1,870 5,873 2,877 13,878 8.133,879 4.701,880 2.169,881 3.32,882 1.474,883 0.975,884 3.565,885 10.324,886 3.584,887 4.314,888 4.91,889 5.462,890 6.017,891 6.384,892 6.903,893 7.331,894 7.598,895 8.031,896 0.833,897 39,898 8.692,900 4.02,901 8,902 15.871,904 13.366,905 2.5,906 57.5,910 176.567,911 99.629,912 84.295,914 44.313,916 6.046,917 93.583,918 220.879,919 84.295,920 26.476,922 76.419,923 119.805,924 27.181,925 13.67,926 141.253,928 176.567,929 177.878,930 44.313,931 6.046,933 70.627,934 150.253,937 49.349,938 78.295,939 56.28,941 176.567,942 128.608,943 99.629,945 6.046,946 176.567,947 11.536,948 83.211,950 127.444,951 176.567,952 128.608,953 99.629,955 0.621,956 0.36,957 0.162,958 0.084,959 21,960 10,961 0.071,962 3,963 1,964 1.133,965 3.326,966 189.645,967 0.133,968 15,969 97.287,973 1,974 15.754,975 5.205,976 2.769,977 0.623,978 127.444,979 9.939,980 12.187,984 1.845,986 32.897,987 404.804,988 35,991 -3.463,993 25.138,999 40.542,1000 45.322,1001 0.334,1002 0.701,1003 0.793,1004 0.825,1005 0.825,1006 0.825,1007 4.868,1008 1.17,1009 5.832,1010 4.267,1011 4.369,1012 5.001,1013 2.913,1014 6.786,1015 4.224,1016 6.18,1017 1.062,1018 7.513,1019 3.342,1020 4.443,1021 5.255,1023 8.307,1024 4.162,1025 7.583,1026 0.41,1027 9.325,1028 2.477,1029 6.205,1030 7.435,1031 5.027,1032 11.387,1033 5.857,1034 9.03,1035 -0.434,1036 11.221,1037 1.08,1038 7.04,1039 8.454,1041 13.725,1042 6.518,1043 10.514,1044 -0.651,1045 13.175,1046 -1.15,1047 8.444,1048 10.223,1049 7.185,1050 16.52,1051 7.835,1052 12.025,1053 -0.78,1054 15.169,1055 -1.612,1056 9.571,1057 11.557,1059 19.123,1060 8.78,1061 13.557,1062 -1,1063 17.194,1064 -2.203,1065 10.884,1066 13.185,1067 9.348,1068 21.861,1069 9.977,1070 3.764,1071 -1,1072 19.242,1073 -2.705,1074 12.123,1075 14.649,1077 24.546,1078 11.039,1079 3.047,1080 15.26,1081 21.306,1082 -2.933,1083 13.422,1084 16.228,1085 11.511,1086 27.273,1087 12.198,1088 2.75,1089 9.747,1090 23.384,1091 4.863,1092 14.704,1093 17.746,1095 29.985,1096 13.31,1097 2.368,1098 8.866,1099 25.471,1100 4.446,1101 16.008,1102 19.311,1103 13.675,1104 32.71,1105 14.461,1106 1.95,1107 7.781,1108 27.565,1109 3.713,1110 17.31,1111 20.853,1113 35.431,1114 15.597,1115 1.651,1116 5.396,1117 29.665,1118 2.968,1119 18.62,1120 22.415,1121 15.838,1122 38.156,1123 16.749,1124 1.514,1125 4.702,1126 31.768,1127 2.584,1128 19.932,1129 23.969,1131 40.879,1132 17.897,1133 5081,1134 9082,1135 15.603,1136 27.154,1137 40.011,1138 40.459,1139 40.299,1140 39.435,1141 39.37,1142 54.196,1143 5.9,1144 125.837,1145 36.79,1146 5.875,1147 7.509,1148 7.836,1149 5.737,1150 5.764,1151 7.863,1152 5.9,1153 24.054,1154 5.204,1155 14.314,1156 1.6,1157 1.618,1158 1.612,1159 1.577,1160 1.575,1161 2.168,1162 0.236,1163 5.033,1164 1.472,1165 4.149,1166 4.177,1167 4.752,1168 4.132,1169 7.713,1170 4.047,1171 4.04,1172 4.04,1173 4.074,1174 3.906,1175 6.999,1176 3.9,1177 3.704,1178 3.749,1179 3.686,1180 3.574,1181 5.303,1182 3.577,1183 3.367,1184 3.425,1185 3.287,1186 3.203,1187 4.883,1188 3.2,1189 3.229,1190 3.246,1191 3.212,1192 3.043,1193 4.734,1194 3.014,1195 2.904,1196 3.009,1197 2.802,1198 2.745,1199 4.225,1200 2.745,1201 2.874,1202 3.009,1203 2.678,1204 2.618,1205 4.147,1206 2.57,1207 2.874,1208 2.981,1209 2.499,1210 2.618,1211 3.9,1212 2.57,1213 0.204,1214 0.22,1215 0.332,1216 0.185,1217 0.151,1218 5.093,1219 0.195,1220 5.509,1221 0.118,1222 8.294,1223 0.61,1224 4.636,1225 0.13,1226 3.764,1227 4.863,1228 2.95,1229 15.26,1230 3.249,1231 2.014,1232 2.021,1233 2.036,1234 2.105,1235 1.345,1236 2.12,1237 1.869,1238 1.852,1239 1.945,1240 1.988,1241 1.126,1242 2.011,1243 1.629,1244 1.579,1245 1.772,1246 1.794,1247 0.865,1248 1.8,1249 1.316,1250 1.236,1251 1.448,1252 1.651,1253 0.469,1254 1.601,1255 1.136,1256 1.134,1257 1.417,1258 1.32,1259 0.469,1260 1.36,1261 0.934,1262 0.804,1263 1.417,1264 1.239,1265 0.385,1266 1.308,1267 0.934,1268 0.804,1269 1.125,1270 1.239,1271 0.217,1272 1.308,1273 0.855,1274 0.804,1275 1.075,1276 1.128,1277 0.029,1278 1.122,1279 3.932,1281 5.333,1282 2.398,1283 6.919,1284 4.727,1285 8.584,1286 6.804,1287 10.288,1289 4.998,1293 5.574,1301 -0.891,1305 25.885,1306 71.177,1307 149.328,1308 168.838,1309 175.593,1310 175.593,1311 175.593,1312 47.37,1313 7.004,1314 103.24,1315 111.62,1316 17,1317 12.568,1318 4.248,1319 3.459,1320 36.822,1321 74,1322 72,1323 0.25,1324 165.078,1325 270.89,1326 394.551,1327 9095,1329 16.828,1330 0.732,1331 0.603,1332 17.078,1333 13.872,1334 10.682,1335 0.427,1336 0.339,1337 7.028,1338 9.394,1339 6.594,1340 5.54,1341 11.451,1342 8.487,1343 11.265,1344 0.289,1345 0.229,1346 12.705,1347 8.919,1348 8.926,1349 0.179,1350 0.119,1351 10.534,1352 5.967,1353 6.444,1354 0.109,1355 0.057,1356 7.204,1357 3.337,1358 5.121,1359 0.071,1360 0.029,1361 5.742,1362 2.057,1363 0.383,1364 74.963,1365 0.253,1366 22.161,1367 0.712,1368 128,1369 392.224,1370 184.14,1371 404.836,1372 551.49,1373 370,1374 153,1375 391.046,1376 211.966,1377 434.051,1378 629.89,1379 403,1380 4.8}
{0 CHEMBL2064514,1 1.86,2 9.375,3 1.027,4 1.054,5 89.236,6 8.857,7 0.615,8 3.793,9 3.892,10 3.662,11 3.361,12 4.967,13 3.335,14 4.309,15 4.459,16 3.943,17 3.71,18 5.737,19 3.695,20 4.466,21 4.605,22 3.917,23 3.793,24 5.805,25 3.77,26 4.527,27 4.725,28 3.88,29 3.764,30 5.837,31 3.722,32 4.448,33 4.662,34 3.767,35 3.694,36 5.618,37 3.638,38 4.344,39 4.52,40 3.695,41 3.642,42 5.586,43 3.575,44 4.395,45 4.61,46 3.664,47 3.546,48 5.631,49 3.468,50 4.221,51 4.422,52 3.438,53 3.362,54 5.53,55 3.264,56 0.138,57 0.654,58 8.108,59 3.731,60 14.999,61 3.807,62 0.428,63 0.996,64 16.371,65 6.111,66 53.995,67 6.824,68 0.5,69 1.101,70 17.25,71 6.363,72 66.292,73 6.629,74 0.588,75 1.13,76 18.359,77 6.38,78 64.685,79 7.975,80 0.459,81 1.061,82 18.324,83 6.028,84 38.276,85 7.452,86 0.351,87 0.959,88 16.409,89 6.078,90 27.777,91 7.045,92 0.526,93 0.905,94 19.034,95 6.342,96 58.26,97 7.805,98 0.452,99 0.758,100 18.375,101 5.747,102 53.872,103 6.548,104 42,105 39,106 0.326,107 0.693,108 0.809,109 0.854,110 0.854,111 0.854,112 3.229,113 1.03,114 -3.19,115 -3.18,116 -3.05,119 38.5,120 2,124 1,142 2,143 3,144 1,145 2,150 1,151 1,158 1,161 1,166 1,172 5,174 3,175 5,178 3,180 1,183 4,187 11,190 1,195 3,198 4,199 10,204 1,207 2,211 2,212 6,217 3,220 1,223 1,224 5,229 1,232 1,236 3,237 5,242 1,245 3,249 2,250 3,253 1,258 1,262 2,263 1,271 1,275 772,276 15.298,277 15.298,278 15.298,279 15.298,280 15.298,281 12.974,282 12.417,283 8.729,284 15.772,285 12.867,286 12.867,287 12.867,288 12.867,289 12.867,290 9.22,291 13.714,292 4.189,293 13.687,294 3.425,295 1.337,296 0.673,297 0.417,298 0.417,299 0.417,300 3.901,304 1,305 1,306 471,307 3.674,310 53.001,311 135.963,314 94.376,318 1.656,319 34.024,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 225,332 4.808,333 5.18,334 7.118,335 4.203,336 3.326,337 4.671,338 2.95,339 11.702,340 3.036,341 4.597,342 3.537,343 6.564,344 4.089,345 3.144,346 4.553,347 1.907,348 10.438,349 2.844,350 4.1,351 3.182,352 6.085,353 3.685,354 2.717,355 3.686,356 0.149,357 8.875,358 2.599,359 3.723,360 2.81,361 5.383,362 3.356,363 2.386,364 3.095,366 6.956,367 2.309,368 3.427,369 2.523,370 4.992,371 2.995,372 2,373 2.716,375 5.645,376 1.978,377 3.346,378 2.34,379 4.761,380 2.81,381 1.85,382 2.695,384 5.239,385 1.767,386 3.087,387 1.908,388 4.38,389 2.587,390 1.633,391 2.28,393 4.341,394 1.544,395 2.74,396 1.577,397 4.261,398 2.209,399 1.24,400 1.834,402 3.656,403 1.196,404 2.585,405 1.142,406 3.643,407 2.025,408 1.089,409 1.621,411 2.525,412 1.015,413 2.131,414 0.799,415 3.467,416 1.644,417 0.691,418 0.975,420 1.951,421 0.657,422 1.195,423 0.651,424 2.777,425 0.793,426 -0.17,427 -0.215,428 -0.468,429 -0.162,430 1,431 0.581,432 2.716,433 0.533,434 -0.43,435 -0.533,436 -1.152,437 -0.409,438 0.925,439 0.002,440 2.582,441 0.398,442 -0.557,443 -0.743,445 -1.438,446 -0.524,447 0.843,448 -0.123,449 2.491,450 0.168,451 -0.77,452 -1.016,454 -2,455 -0.698,456 0.682,457 -0.181,458 2,459 0.096,460 -1,461 -1.269,463 -2.262,464 -0.794,465 11.333,466 0.472,467 0.936,468 0.039,469 35,470 1.458,471 19,472 0.792,473 16,474 0.667,475 16.839,476 0.702,477 25.867,478 0.663,479 26.093,480 1.087,481 6.726,482 0.28,483 4.51,484 0.188,485 0.221,486 0.074,487 0.344,493 0.549,494 1.379,495 0.79,496 1.243,497 0.639,498 0.939,499 0.603,500 0.984,501 0.891,502 0.994,503 0.524,504 0.774,505 1.369,506 1.217,507 1.136,508 1.073,509 1.36,510 1.082,511 0.865,512 1.039,513 0.798,514 0.798,515 0.755,516 0.948,517 0.854,518 0.924,519 0.924,520 0.846,521 0.61,522 0.936,523 0.915,524 1.182,525 1.117,526 1.225,527 0.759,528 1.213,529 0.965,530 0.945,531 0.849,532 0.907,533 1.078,534 0.982,535 1.045,536 1.058,537 1.317,538 1.301,539 1.093,540 1.216,541 7.5,542 0.087,543 2.889,544 2.069,545 1.569,546 1.178,547 0.58,548 0.478,549 0.265,550 0.18,551 5791,552 20997,553 1.982,554 38.5,555 3,556 5,557 1,558 2,559 1,560 3,564 1.67,565 1.789,566 3.215,567 -0.177,568 1,569 1,571 1,573 72.559,574 1.86,575 3.949,576 4.612,577 4.868,578 4.868,579 4.868,580 2.705,581 4.22,582 4.554,583 3.389,584 935.349,585 7.866,586 10777.1,587 1,588 1,591 206.131,592 1.75,593 4.469,594 0.288,595 0.01,596 0.074,597 0.056,598 0.045,599 0.038,600 0.021,601 0.019,602 0.014,603 0.013,604 0.578,605 0.5,606 1,607 1.181,608 113.196,609 0.066,610 -0.159,611 0.198,612 -0.084,613 -0.137,614 -0.006,615 0.225,616 0.126,617 0.084,618 0.054,619 0.241,620 0.168,621 -0.328,622 -0.162,623 -0.278,624 -0.12,625 -0.267,626 -0.191,627 0.007,628 -0.032,629 -0.006,630 0.04,631 0.02,632 -0.023,633 -0.097,634 0.116,635 -0.055,636 0.039,637 -0.023,638 0.009,639 -0.124,640 -0.15,641 -0.197,642 -0.234,643 -0.03,644 -0.247,645 0.017,646 -0.035,647 0.11,648 0.034,649 -0.082,650 0.023,651 -0.012,652 -0.109,653 -0.165,654 -0.215,655 -0.018,656 -0.203,657 4.257,658 4.694,659 0.625,660 20.111,661 1.025,662 1.131,663 1.956,664 3.826,665 0.688,666 3.296,667 3.689,668 3.892,669 4.174,670 4.407,671 4.543,672 4.7,673 4.779,674 4.828,675 4.913,676 5.724,677 0.669,678 345.42,679 3.296,680 4.875,681 5.72,682 6.629,683 7.501,684 8.409,685 9.292,686 10.2,687 11.09,688 11.997,689 12.8,696 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,731 39,733 19,735 26,737 41,738 15,739 11,746 3,747 4,752 2,761 12,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 15,782 7,783 1,784 9,785 1,790 5,794 0.667,795 3,805 2,811 1,812 2,815 1,826 1,840 2,842 1,844 3,848 24,851 1,855 1,867 1,870 7.7,873 3,877 13.417,878 8.133,879 5,880 2.079,881 3.403,882 1.475,883 0.993,884 4.017,885 10.561,886 3.638,887 4.353,888 4.893,889 5.544,890 6.119,891 6.548,892 7.053,893 7.477,894 7.812,895 8.228,896 1,897 37,898 8.998,900 4.045,901 8.128,902 16.329,904 13.353,905 2.628,906 63.083,910 164.795,911 96.408,912 69.409,914 69.458,916 6.046,917 90.362,918 234.253,919 69.409,920 24.841,921 18.011,922 34.046,923 149.654,924 30.366,925 13.67,926 129.482,928 164.795,929 159.771,930 69.458,931 6.046,933 164.795,934 69.458,937 58.534,938 51.002,939 56.28,941 164.795,942 138.867,943 96.408,945 6.046,946 164.795,947 19.427,948 72.099,949 18.011,950 119.692,951 164.795,952 138.867,953 96.408,955 0.604,956 0.323,957 0.169,958 0.096,959 20,960 10,961 0.073,962 3,963 1,964 1.133,965 3.463,966 197.817,967 0.133,968 15,969 108.039,973 1,974 16.405,975 5.877,976 3.415,977 0.606,978 137.703,979 8.04,980 12.459,984 2.596,986 18.011,987 400.07,988 37,991 -3.34,993 34.517,997 -0.256,999 39.985,1000 44.116,1001 0.352,1002 0.747,1003 0.873,1004 0.921,1005 0.921,1006 0.921,1007 4.898,1008 1.24,1009 5.784,1010 4.341,1011 4.369,1012 5.04,1013 3.197,1014 6.658,1015 4.25,1016 6.19,1017 1.089,1018 7.394,1019 3.656,1020 4.29,1021 5.263,1022 1.593,1023 7.847,1024 4.061,1025 7.569,1026 0.691,1027 9.112,1028 2.525,1029 6.084,1030 7.445,1031 5.134,1032 10.853,1033 5.81,1034 8.986,1035 -0.17,1036 10.891,1037 1.951,1038 6.735,1039 8.418,1040 3.032,1041 12.804,1042 6.326,1043 10.432,1044 -0.43,1045 12.71,1046 -0.468,1047 8.118,1048 10.181,1049 7.226,1050 15.41,1051 7.657,1052 11.9,1053 -0.557,1054 14.557,1055 -1.152,1056 9.072,1057 11.471,1058 4.409,1059 17.653,1060 8.478,1061 13.386,1062 -0.77,1063 16.424,1064 -1.438,1065 10.315,1066 13.086,1067 9.364,1068 20.135,1069 9.652,1070 3.326,1071 -1,1072 18.307,1073 -2,1074 11.397,1075 14.512,1076 5.75,1077 22.492,1078 10.611,1079 3.144,1080 11.702,1081 20.201,1082 -2.262,1083 12.592,1084 16.071,1085 11.518,1086 24.937,1087 11.725,1088 2.717,1089 10.438,1090 22.106,1091 4.671,1092 13.729,1093 17.555,1094 7.068,1095 27.34,1096 12.749,1097 2.386,1098 8.875,1099 24.017,1100 4.553,1101 14.909,1102 19.094,1103 13.678,1104 29.777,1105 13.841,1106 2,1107 6.956,1108 25.936,1109 3.686,1110 16.07,1111 20.604,1112 8.374,1113 32.202,1114 14.897,1115 1.85,1116 5.645,1117 27.859,1118 3.095,1119 17.249,1120 22.136,1121 15.84,1122 34.64,1123 15.983,1124 1.633,1125 5.239,1126 29.787,1127 2.716,1128 18.422,1129 23.657,1130 9.674,1131 37.075,1132 17.055,1133 5803,1134 11180,1135 16.414,1136 26.847,1137 40.629,1138 42.803,1139 41.306,1140 40.205,1141 40.153,1142 56.252,1143 10.012,1144 122.657,1145 37.892,1146 5.544,1147 7.18,1148 6.66,1149 5.258,1150 5.326,1151 7.671,1152 5.9,1153 18.751,1154 4.992,1155 15.2,1156 1.563,1157 1.646,1158 1.589,1159 1.546,1160 1.544,1161 2.164,1162 0.385,1163 4.718,1164 1.457,1165 4.145,1166 4.185,1167 4.735,1168 4.093,1169 7.716,1170 4.033,1171 4.017,1172 4.003,1173 4.093,1174 3.916,1175 7.43,1176 3.882,1177 3.652,1178 3.673,1179 3.686,1180 3.518,1181 6.999,1182 3.496,1183 3.548,1184 3.581,1185 3.483,1186 3.338,1187 5.145,1188 3.355,1189 3.298,1190 3.375,1191 3.191,1192 3.08,1193 4.844,1194 3.097,1195 3.122,1196 3.192,1197 2.996,1198 2.973,1199 4.335,1200 2.966,1201 2.752,1202 2.853,1203 2.585,1204 2.55,1205 3.995,1206 2.534,1207 2.727,1208 2.826,1209 2.52,1210 2.477,1211 3.87,1212 2.485,1213 0.185,1214 0.199,1215 0.274,1216 0.162,1217 0.128,1218 4.808,1219 0.18,1220 5.18,1221 0.113,1222 7.118,1223 0.45,1224 4.203,1225 0.117,1226 3.326,1227 4.671,1228 2.95,1229 11.702,1230 3.036,1231 2.003,1232 1.998,1233 2.048,1234 2.108,1235 1.228,1236 2.11,1237 1.837,1238 1.836,1239 1.837,1240 1.949,1241 1.089,1242 1.98,1243 1.526,1244 1.486,1245 1.734,1246 1.807,1247 0.761,1248 1.776,1249 1.481,1250 1.453,1251 1.582,1252 1.643,1253 0.73,1254 1.681,1255 1.238,1256 1.16,1257 1.495,1258 1.51,1259 0.545,1260 1.509,1261 1.054,1262 0.963,1263 1.283,1264 1.334,1265 0.223,1266 1.347,1267 0.908,1268 0.843,1269 1.064,1270 1.116,1271 0.197,1272 1.116,1273 0.715,1274 0.63,1275 0.963,1276 0.992,1277 0.004,1278 1.018,1279 3.97,1281 5.342,1282 2.398,1283 6.884,1284 4.727,1285 8.508,1286 6.843,1287 10.177,1289 4.38,1296 2.536,1305 26.073,1306 72.559,1307 153.992,1308 179.866,1309 189.866,1310 189.866,1311 189.866,1312 48.042,1313 7.158,1314 106.32,1315 114.7,1316 17,1317 12.518,1318 4.322,1319 3.585,1320 39.246,1321 82,1322 81,1323 0.242,1324 166.147,1325 277.04,1326 397.159,1327 10901,1329 17.483,1330 0.728,1331 0.589,1332 17.733,1333 14.125,1334 11.236,1335 0.432,1336 0.343,1337 7.079,1338 9.928,1339 6.628,1340 5.55,1341 12.131,1342 8.931,1343 11.589,1344 0.297,1345 0.192,1346 12.976,1347 7.494,1348 8.269,1349 0.172,1350 0.093,1351 9.012,1352 4.459,1353 7.068,1354 0.11,1355 0.045,1356 7.588,1357 2.89,1358 5.641,1359 0.07,1360 0.024,1361 6.128,1362 1.981,1363 0.373,1364 80.238,1365 0.247,1366 23.147,1367 0.681,1368 130,1369 454.98,1370 179.36,1371 458.829,1372 614.06,1373 420,1374 152,1375 430.062,1376 206.79,1377 466.191,1378 669.52,1379 432,1380 4.4}
{0 CHEMBL2064566,1 1.86,2 9.375,3 1.027,4 1.054,5 89.236,6 8.857,7 0.615,8 3.793,9 3.892,10 3.662,11 3.361,12 4.967,13 3.335,14 4.309,15 4.459,16 3.943,17 3.71,18 5.738,19 3.695,20 4.466,21 4.606,22 3.911,23 3.804,24 5.799,25 3.778,26 4.518,27 4.703,28 3.883,29 3.784,30 5.827,31 3.731,32 4.485,33 4.707,34 3.794,35 3.71,36 5.654,37 3.658,38 4.417,39 4.622,40 3.734,41 3.663,42 5.604,43 3.585,44 4.296,45 4.461,46 3.646,47 3.522,48 5.626,49 3.455,50 4.304,51 4.538,52 3.385,53 3.326,54 5.588,55 3.238,56 0.138,57 0.654,58 8.108,59 3.731,60 14.999,61 3.807,62 0.428,63 0.996,64 16.371,65 6.111,66 53.774,67 6.824,68 0.513,69 1.098,70 17.381,71 6.365,72 67.066,73 6.593,74 0.522,75 1.122,76 17.386,77 6.838,78 63.414,79 8.552,80 0.495,81 1.098,82 19.508,83 6.084,84 35.089,85 7.614,86 0.418,87 1.005,88 18.644,89 6.419,90 42.47,91 7.722,92 0.445,93 0.872,94 18.479,95 6.087,96 40.721,97 6.53,98 0.579,99 0.754,100 18.802,101 5.643,102 78.662,103 6.992,104 42,105 39,106 0.326,107 0.693,108 0.809,109 0.854,110 0.854,111 0.854,112 3.229,113 1.03,114 -3.19,115 -3.18,116 -3.05,119 38.5,120 2,124 1,142 2,143 3,144 1,145 2,150 1,151 1,158 1,161 1,166 1,172 5,174 3,175 5,178 3,180 1,183 5,187 9,190 1,195 3,198 4,199 11,204 1,207 2,211 2,212 8,217 2,223 1,224 4,229 2,232 1,236 3,237 6,242 1,245 2,249 2,250 2,253 1,258 2,262 2,263 1,271 1,275 790,276 15.298,277 15.298,278 15.298,279 15.298,280 15.298,281 12.967,282 12.417,283 8.729,284 15.779,285 12.867,286 12.867,287 12.867,288 12.867,289 12.867,290 9.22,291 13.714,292 4.189,293 13.692,294 3.425,295 1.337,296 0.673,297 0.417,298 0.417,299 0.417,300 3.901,304 1,305 1,306 471,307 3.674,310 53.816,311 135.182,314 94.843,318 1.656,319 33.951,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 225,332 4.809,333 5.18,334 7.119,335 4.21,336 3.329,337 4.672,338 2.95,339 11.708,340 3.067,341 4.567,342 3.536,343 6.541,344 4.073,345 3.124,346 4.5,347 1.907,348 10.345,349 2.82,350 4.162,351 3.171,352 6.144,353 3.728,354 2.774,355 3.772,356 0.149,357 9.09,358 2.618,359 3.686,360 2.825,361 5.28,362 3.296,363 2.321,364 3.104,366 6.69,367 2.257,368 3.514,369 2.606,370 5.088,371 3.055,372 2.07,373 2.802,375 5.896,376 2.03,377 3.168,378 2.155,379 4.648,380 2.655,381 1.691,382 2.463,384 4.91,385 1.623,386 3.123,387 1.993,388 4.408,389 2.639,390 1.679,391 2.309,393 4.347,394 1.594,395 2.834,396 1.571,397 4.355,398 2.314,399 1.35,400 1.967,402 3.991,403 1.295,404 2.605,405 1.232,406 3.615,407 2.041,408 1.109,409 1.648,411 2.551,412 1.03,413 2.066,414 0.719,415 3.455,416 1.59,417 0.616,418 0.877,420 1.764,421 0.599,422 1.126,423 0.637,424 2.77,425 0.752,426 -0.206,427 -0.25,428 -0.562,429 -0.196,430 1.002,431 0.584,432 2.7,433 0.6,434 -0.357,435 -0.462,436 -0.956,437 -0.341,438 1,439 0.002,440 2.607,441 0.358,442 -0.599,443 -0.795,445 -1.578,446 -0.564,447 0.815,448 -0.123,449 2.489,450 0.178,451 -0.751,452 -0.999,454 -2,455 -0.675,456 0.71,457 -0.174,458 2,459 0.095,460 -0.96,461 -1.262,463 -2.195,464 -0.791,465 11.333,466 0.472,467 0.936,468 0.039,469 35,470 1.458,471 19,472 0.792,473 16,474 0.667,475 16.871,476 0.703,477 25.867,478 0.663,479 26.109,480 1.088,481 6.727,482 0.28,483 4.509,484 0.188,485 0.221,486 0.074,487 0.344,493 0.549,494 1.379,495 0.79,496 1.243,497 0.639,498 0.939,499 0.603,500 0.984,501 0.891,502 0.994,503 0.522,504 0.774,505 1.388,506 1.11,507 1.147,508 1.018,509 1.366,510 1.044,511 0.738,512 1.194,513 0.774,514 0.951,515 0.73,516 1.081,517 0.877,518 0.896,519 0.903,520 0.787,521 0.594,522 0.875,523 0.907,524 1.028,525 0.994,526 1.025,527 0.741,528 1.057,529 1.105,530 1.239,531 1.421,532 1.442,533 1.17,534 1.283,535 1.198,536 0.798,537 0.899,538 0.816,539 1.331,540 0.967,541 7.5,542 0.087,543 2.889,544 2.292,545 1.364,546 1.285,547 0.654,548 0.419,549 0.265,550 0.18,551 5779,552 20977,553 1.982,554 38.5,555 3,556 5,557 1,558 2,559 1,560 3,564 1.67,565 1.789,566 3.224,567 -0.177,568 1,569 1,571 1,573 72.559,574 1.86,575 3.949,576 4.612,577 4.868,578 4.868,579 4.868,580 2.705,581 4.22,582 4.554,583 3.386,584 934.581,585 7.867,586 10753.9,587 1,588 1,591 206.131,592 1.75,593 4.469,594 0.288,595 0.01,596 0.074,597 0.062,598 0.039,599 0.04,600 0.023,601 0.017,602 0.015,603 0.013,604 0.581,605 0.5,606 1,607 1.181,608 113.136,609 0.066,610 -0.159,611 0.198,612 -0.084,613 -0.137,614 -0.006,615 0.225,616 0.126,617 0.084,618 0.054,619 0.243,620 0.168,621 -0.347,622 -0.053,623 -0.29,624 -0.063,625 -0.273,626 -0.152,627 0.086,628 -0.208,629 0.001,630 -0.085,631 0.037,632 -0.131,633 -0.109,634 0.142,635 -0.026,636 0.085,637 -0.021,638 0.067,639 -0.108,640 -0.029,641 -0.041,642 -0.053,643 -0.021,644 -0.07,645 -0.072,646 -0.214,647 -0.291,648 -0.332,649 -0.101,650 -0.318,651 -0.05,652 0.039,653 0.071,654 0.084,655 -0.106,656 0.044,657 4.259,658 4.712,659 0.625,660 20.146,661 1.025,662 1.131,663 1.956,664 3.826,665 0.688,666 3.296,667 3.689,668 3.892,669 4.174,670 4.407,671 4.543,672 4.718,673 4.779,674 4.828,675 4.86,676 5.712,677 0.669,678 345.42,679 3.296,680 4.875,681 5.72,682 6.629,683 7.501,684 8.409,685 9.292,686 10.2,687 11.09,688 11.997,689 12.8,696 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,731 39,733 19,735 26,737 41,738 15,739 11,746 3,747 4,752 2,761 12,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 15,782 7,783 1,784 9,785 1,790 5,794 0.667,795 3,805 2,811 1,812 2,815 1,826 1,840 2,842 1,844 3,848 24,851 1,855 1,867 1,870 7.7,873 3,877 13.417,878 8.133,879 5,880 2.079,881 3.425,882 1.478,883 0.993,884 4.017,885 10.582,886 3.638,887 4.353,888 4.888,889 5.54,890 6.123,891 6.551,892 7.07,893 7.475,894 7.798,895 8.19,896 1,897 37,898 8.998,900 4.045,901 8.128,902 16.329,904 13.353,905 2.628,906 63.083,910 164.795,911 96.408,912 69.409,914 69.458,916 6.046,917 90.362,918 234.253,919 69.409,920 24.841,921 18.011,922 34.046,923 149.654,924 30.366,925 13.67,926 129.482,928 164.795,929 159.771,930 69.458,931 6.046,933 164.795,934 69.458,937 58.534,938 51.002,939 56.28,941 164.795,942 138.867,943 96.408,945 6.046,946 164.795,947 19.427,948 72.099,949 18.011,950 119.692,951 164.795,952 138.867,953 96.408,955 0.604,956 0.323,957 0.169,958 0.095,959 20,960 10,961 0.073,962 3,963 1,964 1.133,965 3.461,966 197.978,967 0.133,968 15,969 108.039,973 1,974 16.405,975 5.877,976 3.415,977 0.576,978 137.703,979 8.014,980 12.412,984 2.685,986 18.011,987 400.07,988 37,991 -3.343,993 34.535,997 -0.257,999 39.985,1000 44.116,1001 0.352,1002 0.747,1003 0.873,1004 0.921,1005 0.921,1006 0.921,1007 4.898,1008 1.35,1009 5.784,1010 4.347,1011 4.369,1012 5.04,1013 3.197,1014 6.658,1015 4.25,1016 6.19,1017 1.109,1018 7.394,1019 3.991,1020 4.29,1021 5.263,1022 1.593,1023 7.847,1024 4.061,1025 7.569,1026 0.616,1027 9.112,1028 2.551,1029 6.084,1030 7.443,1031 5.134,1032 10.853,1033 5.813,1034 8.986,1035 -0.206,1036 10.891,1037 1.764,1038 6.735,1039 8.411,1040 3.032,1041 12.804,1042 6.333,1043 10.431,1044 -0.357,1045 12.71,1046 -0.562,1047 8.118,1048 10.171,1049 7.226,1050 15.409,1051 7.667,1052 11.898,1053 -0.599,1054 14.557,1055 -0.956,1056 9.072,1057 11.455,1058 4.409,1059 17.651,1060 8.496,1061 13.383,1062 -0.751,1063 16.424,1064 -1.578,1065 10.314,1066 13.066,1067 9.364,1068 20.132,1069 9.674,1070 3.329,1071 -0.96,1072 18.307,1073 -2,1074 11.396,1075 14.484,1076 5.75,1077 22.488,1078 10.643,1079 3.124,1080 11.708,1081 20.201,1082 -2.195,1083 12.589,1084 16.039,1085 11.518,1086 24.932,1087 11.762,1088 2.774,1089 10.345,1090 22.105,1091 4.672,1092 13.725,1093 17.517,1094 7.068,1095 27.335,1096 12.796,1097 2.321,1098 9.09,1099 24.017,1100 4.5,1101 14.905,1102 19.051,1103 13.678,1104 29.771,1105 13.895,1106 2.07,1107 6.69,1108 25.935,1109 3.772,1110 16.065,1111 20.555,1112 8.374,1113 32.195,1114 14.961,1115 1.691,1116 5.896,1117 27.858,1118 3.104,1119 17.242,1120 22.083,1121 15.84,1122 34.633,1123 16.056,1124 1.679,1125 4.91,1126 29.786,1127 2.802,1128 18.414,1129 23.599,1130 9.674,1131 37.068,1132 17.138,1133 5791,1134 11164,1135 16.414,1136 26.847,1137 40.607,1138 42.767,1139 41.304,1140 40.202,1141 40.128,1142 56.228,1143 10.012,1144 122.584,1145 37.866,1146 5.545,1147 7.18,1148 6.66,1149 5.265,1150 5.329,1151 7.672,1152 5.9,1153 18.82,1154 5.023,1155 15.18,1156 1.562,1157 1.645,1158 1.589,1159 1.546,1160 1.543,1161 2.163,1162 0.385,1163 4.715,1164 1.456,1165 4.145,1166 4.183,1167 4.735,1168 4.094,1169 7.716,1170 4.034,1171 4.015,1172 4.001,1173 4.09,1174 3.914,1175 7.43,1176 3.878,1177 3.66,1178 3.683,1179 3.689,1180 3.516,1181 6.999,1182 3.501,1183 3.542,1184 3.576,1185 3.482,1186 3.34,1187 5.149,1188 3.352,1189 3.347,1190 3.417,1191 3.243,1192 3.144,1193 4.844,1194 3.157,1195 3,1196 3.081,1197 2.873,1198 2.838,1199 4.344,1200 2.834,1201 2.797,1202 2.89,1203 2.615,1204 2.584,1205 3.948,1206 2.577,1207 2.738,1208 2.832,1209 2.527,1210 2.526,1211 3.872,1212 2.51,1213 0.185,1214 0.199,1215 0.274,1216 0.162,1217 0.128,1218 4.809,1219 0.18,1220 5.18,1221 0.113,1222 7.119,1223 0.45,1224 4.21,1225 0.118,1226 3.329,1227 4.672,1228 2.95,1229 11.708,1230 3.067,1231 2.006,1232 2,1233 2.051,1234 2.109,1235 1.237,1236 2.111,1237 1.833,1238 1.834,1239 1.825,1240 1.945,1241 1.085,1242 1.977,1243 1.522,1244 1.474,1245 1.734,1246 1.806,1247 0.733,1248 1.775,1249 1.471,1250 1.449,1251 1.57,1252 1.637,1253 0.72,1254 1.671,1255 1.218,1256 1.128,1257 1.504,1258 1.502,1259 0.564,1260 1.507,1261 1.151,1262 1.076,1263 1.327,1264 1.406,1265 0.297,1266 1.407,1267 0.868,1268 0.804,1269 1.082,1270 1.055,1271 0.187,1272 1.085,1273 0.71,1274 0.624,1275 0.973,1276 0.988,1277 0.023,1278 1.01,1279 3.97,1281 5.342,1282 2.398,1283 6.884,1284 4.727,1285 8.508,1286 6.823,1287 10.177,1289 4.404,1296 2.528,1305 26.073,1306 72.559,1307 153.992,1308 179.866,1309 189.866,1310 189.866,1311 189.866,1312 47.907,1313 7.158,1314 106.32,1315 114.7,1316 17,1317 12.517,1318 4.322,1319 3.585,1320 39.239,1321 81,1322 83,1323 0.242,1324 166.147,1325 277.04,1326 397.159,1327 10922,1329 17.483,1330 0.728,1331 0.589,1332 17.733,1333 14.125,1334 11.236,1335 0.432,1336 0.343,1337 7.079,1338 9.924,1339 6.629,1340 5.549,1341 12.131,1342 8.931,1343 11.589,1344 0.297,1345 0.192,1346 12.976,1347 7.487,1348 8.269,1349 0.172,1350 0.094,1351 9.012,1352 4.499,1353 7.068,1354 0.11,1355 0.045,1356 7.588,1357 2.899,1358 5.639,1359 0.07,1360 0.024,1361 6.122,1362 1.971,1363 0.374,1364 80.238,1365 0.247,1366 23.14,1367 0.684,1368 130,1369 454.98,1370 179.36,1371 458.722,1372 614,1373 420,1374 152,1375 430.062,1376 206.457,1377 465.937,1378 668.91,1379 432,1380 4}
{0 CHEMBL2064567,1 1.86,2 9.333,3 0.686,4 0.47,5 89.036,6 8.857,7 0.615,8 3.793,9 3.892,10 3.662,11 3.361,12 4.967,13 3.335,14 4.309,15 4.459,16 3.946,17 3.704,18 5.736,19 3.69,20 4.471,21 4.616,22 3.931,23 3.797,24 5.803,25 3.782,26 4.526,27 4.705,28 3.904,29 3.809,30 5.85,31 3.762,32 4.511,33 4.73,34 3.78,35 3.739,36 5.667,37 3.669,38 4.415,39 4.628,40 3.727,41 3.657,42 5.584,43 3.58,44 4.326,45 4.498,46 3.675,47 3.548,48 5.658,49 3.477,50 4.319,51 4.535,52 3.33,53 3.322,54 5.639,55 3.225,56 0.138,57 0.654,58 8.108,59 3.731,60 14.999,61 3.807,62 0.421,63 0.997,64 16.306,65 6.11,66 53.772,67 6.842,68 0.537,69 1.109,70 17.795,71 6.134,72 67.182,73 6.322,74 0.539,75 1.147,76 16.909,77 6.615,78 63.121,79 8.126,80 0.47,81 1.119,82 19.544,83 6.601,84 36.21,85 8.305,86 0.434,87 0.995,88 19.22,89 6.418,90 43.353,91 7.764,92 0.426,93 0.883,94 19.456,95 6.6,96 38.919,97 7.343,98 0.638,99 0.755,100 18.256,101 5.577,102 90.665,103 6.494,104 42,105 39,106 0.326,107 0.68,108 0.797,109 0.854,110 0.854,111 0.854,112 3.229,113 1.032,114 -3.19,115 -3.18,116 -3.05,119 38.5,120 2,124 1,142 3,143 2,144 1,145 2,150 1,152 1,158 1,161 1,166 1,172 4,174 3,175 6,178 3,180 1,183 4,187 10,190 1,195 4,198 4,199 10,204 1,207 3,211 2,212 7,217 3,223 1,224 4,229 1,232 1,236 3,237 7,242 1,245 3,249 2,250 1,253 1,258 1,262 2,263 1,271 1,275 776,276 15.35,277 15.35,278 15.35,279 15.35,280 15.35,281 12.999,282 12.417,283 8.735,284 15.843,285 12.84,286 12.84,287 12.84,288 12.84,289 12.84,290 9.194,291 13.714,292 4.156,293 13.68,294 3.425,295 1.408,296 0.744,297 0.417,298 0.417,299 0.417,300 3.901,304 1,305 1,306 469,307 3.674,310 53.001,311 135.307,314 94.376,318 1.694,319 34.119,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 53.5,331 224,332 4.81,333 5.18,334 7.119,335 4.223,336 3.332,337 4.675,338 2.95,339 11.714,340 3.097,341 4.633,342 3.537,343 6.755,344 4.123,345 3.191,346 4.577,347 1.907,348 10.975,349 2.832,350 4.126,351 3.252,352 6.133,353 3.695,354 2.738,355 3.726,356 0.149,357 9.012,358 2.594,359 3.694,360 2.802,361 5.359,362 3.31,363 2.339,364 3.08,366 6.84,367 2.266,368 3.464,369 2.572,370 5.048,371 2.974,372 2,373 2.77,375 5.741,376 1.935,377 3.185,378 2.178,379 4.669,380 2.693,381 1.718,382 2.479,384 4.81,385 1.667,386 3.126,387 1.905,388 4.376,389 2.626,390 1.668,391 2.323,393 4.373,394 1.586,395 2.748,396 1.541,397 4.274,398 2.226,399 1.252,400 1.844,402 3.599,403 1.214,404 2.587,405 1.161,406 3.511,407 2.028,408 1.092,409 1.624,411 2.506,412 1.018,413 2.067,414 0.752,415 3.444,416 1.588,417 0.623,418 0.881,420 1.672,421 0.6,422 1.375,423 0.657,424 2.926,425 1.022,426 0.045,427 0.057,428 0.114,429 0.043,430 1,431 0.585,432 2.717,433 0.619,434 -0.335,435 -0.396,436 -0.898,437 -0.316,438 0.988,439 0.167,440 2.521,441 0.263,442 -0.671,443 -0.911,445 -1.691,446 -0.605,447 0.776,448 -0.079,449 2.341,450 0.15,451 -0.805,452 -1.091,454 -2,455 -0.752,456 0.655,457 -0.124,458 2.21,459 0.095,460 -1,461 -1.272,463 -2.385,464 -0.797,465 11.333,466 0.472,467 0.919,468 0.038,469 35,470 1.458,471 19,472 0.792,473 16,474 0.667,475 16.99,476 0.708,477 25.867,478 0.663,479 26.123,480 1.088,481 6.755,482 0.281,483 4.498,484 0.187,485 0.221,486 0.074,487 0.344,493 0.549,494 1.379,495 0.79,496 1.243,497 0.639,498 0.939,499 0.592,500 1.046,501 0.885,502 1.026,503 0.526,504 0.796,505 1.441,506 1.077,507 1.129,508 0.942,509 1.356,510 0.957,511 0.81,512 1.136,513 0.823,514 0.915,515 0.755,516 1.073,517 0.794,518 0.997,519 0.925,520 0.918,521 0.58,522 1.023,523 0.913,524 0.935,525 0.969,526 0.95,527 0.741,528 0.979,529 0.959,530 1.242,531 1.295,532 1.44,533 1.055,534 1.243,535 1.48,536 0.863,537 1.095,538 0.902,539 1.691,540 1.145,541 7,542 0.087,543 3.111,544 2.319,545 1.489,546 1.15,547 0.721,548 0.357,549 0.265,550 0.18,551 5747,552 20911,553 1.982,554 38.5,556 6,558 2,559 1,560 6,564 1.67,565 1.789,566 3.208,567 -0.177,569 1,571 1,573 72.559,574 1.86,575 3.878,576 4.541,577 4.868,578 4.868,579 4.868,580 2.69,581 4.054,582 4.553,583 3.379,584 932.681,585 7.866,586 10698.1,588 1,591 206.131,592 1.75,593 4.469,594 0.269,595 0.01,596 0.08,597 0.061,598 0.041,599 0.037,600 0.026,601 0.014,602 0.017,603 0.013,604 0.567,605 0.5,606 1,607 1.181,608 113.011,609 0.066,610 -0.159,611 0.198,612 -0.084,613 -0.137,614 -0.006,615 0.236,616 0.062,617 0.091,618 0.021,619 0.239,620 0.145,621 -0.375,622 -0.008,623 -0.265,624 -0.002,625 -0.263,626 -0.079,627 0.025,628 -0.118,629 -0.068,630 -0.063,631 0.009,632 -0.149,633 -0.065,634 0.02,635 -0.061,636 -0.033,637 -0.019,638 -0.061,639 -0.108,640 0.056,641 -0.001,642 0.023,643 -0.023,644 0.017,645 0.026,646 -0.256,647 -0.164,648 -0.32,649 -0.013,650 -0.238,651 -0.197,652 -0.021,653 -0.142,654 -0.012,655 -0.27,656 -0.173,657 4.259,658 4.712,659 0.625,660 20.25,661 1.025,662 1.131,663 1.956,664 3.826,665 0.688,666 3.296,667 3.689,668 3.912,669 4.19,670 4.407,671 4.543,672 4.71,673 4.762,674 4.812,675 4.868,676 5.687,677 0.669,678 345.42,679 3.296,680 4.875,681 5.727,682 6.637,683 7.514,684 8.425,685 9.313,686 10.223,687 11.118,688 12.028,689 12.8,696 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,731 39,733 19,735 26,737 41,738 15,739 11,746 3,747 4,752 2,761 12,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 15,782 7,783 1,784 9,785 1,790 5,794 0.667,795 3,805 2,811 1,812 2,815 1,826 1,840 2,842 1,844 3,848 24,851 1,855 1,867 1,870 7.7,873 3,877 13.417,878 8.133,879 5.028,880 2.09,881 3.425,882 1.479,883 0.993,884 4.017,885 10.583,886 3.638,887 4.353,888 4.904,889 5.553,890 6.119,891 6.545,892 7.056,893 7.467,894 7.797,895 8.195,896 1,897 38,898 8.999,900 4.047,901 8.128,902 16.329,904 13.353,905 2.628,906 63.083,910 164.795,911 96.408,912 69.409,914 69.458,916 6.046,917 90.362,918 234.253,919 69.409,920 24.841,921 18.011,922 34.475,923 149.654,924 27.181,925 4.656,926 141.253,928 164.795,929 159.771,930 69.458,931 6.046,933 164.795,934 69.458,937 58.534,938 51.002,939 56.28,941 164.795,942 138.867,943 96.408,945 6.046,946 164.795,947 18.998,948 72.528,949 18.011,950 119.692,951 164.795,952 138.867,953 96.408,955 0.604,956 0.329,957 0.172,958 0.094,959 20,960 10,961 0.073,962 3,963 1,964 1.133,965 3.449,966 198.743,967 0.133,968 15,969 108.039,973 1,974 16.405,975 5.877,976 3.27,977 0.576,978 137.703,979 8.043,980 12.47,984 2.556,986 18.011,987 400.07,988 37,991 -3.343,993 34.553,997 -0.256,999 39.985,1000 44.116,1001 0.352,1002 0.734,1003 0.859,1004 0.921,1005 0.921,1006 0.921,1007 4.898,1008 1.252,1009 5.79,1010 4.373,1011 4.369,1012 5.04,1013 3.197,1014 6.676,1015 4.247,1016 6.19,1017 1.092,1018 7.409,1019 3.599,1020 4.29,1021 5.263,1022 1.593,1023 7.892,1024 4.051,1025 7.571,1026 0.623,1027 9.137,1028 2.506,1029 6.094,1030 7.451,1031 5.134,1032 10.916,1033 5.813,1034 8.991,1035 0.045,1036 10.928,1037 1.672,1038 6.758,1039 8.433,1040 3.032,1041 12.892,1042 6.344,1043 10.442,1044 -0.335,1045 12.758,1046 0.114,1047 8.145,1048 10.196,1049 7.226,1050 15.516,1051 7.681,1052 11.915,1053 -0.671,1054 14.616,1055 -0.898,1056 9.113,1057 11.494,1058 4.409,1059 17.772,1060 8.524,1061 13.405,1062 -0.805,1063 16.494,1064 -1.691,1065 10.359,1066 13.109,1067 9.364,1068 20.27,1069 9.707,1070 3.332,1071 -1,1072 18.386,1073 -2,1074 11.453,1075 14.541,1076 5.75,1077 22.634,1078 10.69,1079 3.191,1080 11.714,1081 20.289,1082 -2.385,1083 12.652,1084 16.101,1085 11.518,1086 25.09,1087 11.816,1088 2.738,1089 10.975,1090 22.201,1091 4.675,1092 13.797,1093 17.589,1094 7.068,1095 27.497,1096 12.863,1097 2.339,1098 9.012,1099 24.119,1100 4.577,1101 14.982,1102 19.13,1103 13.678,1104 29.941,1105 13.971,1106 2,1107 6.84,1108 26.043,1109 3.726,1110 16.149,1111 20.642,1112 8.374,1113 32.367,1114 15.049,1115 1.718,1116 5.741,1117 27.971,1118 3.08,1119 17.332,1120 22.176,1121 15.84,1122 34.809,1123 16.154,1124 1.668,1125 4.81,1126 29.902,1127 2.77,1128 18.509,1129 23.699,1130 9.674,1131 37.244,1132 17.248,1133 5762,1134 11119,1135 16.414,1136 26.847,1137 40.415,1138 42.59,1139 41.378,1140 40.116,1141 39.995,1142 56.069,1143 10.012,1144 122.71,1145 37.702,1146 5.546,1147 7.18,1148 6.661,1149 5.279,1150 5.332,1151 7.675,1152 5.9,1153 19.197,1154 5.053,1155 15.127,1156 1.554,1157 1.638,1158 1.591,1159 1.543,1160 1.538,1161 2.157,1162 0.385,1163 4.72,1164 1.45,1165 4.147,1166 4.187,1167 4.735,1168 4.094,1169 7.716,1170 4.035,1171 4.017,1172 4.002,1173 4.096,1174 3.914,1175 7.43,1176 3.879,1177 3.654,1178 3.676,1179 3.687,1180 3.515,1181 6.999,1182 3.497,1183 3.542,1184 3.577,1185 3.479,1186 3.329,1187 5.144,1188 3.345,1189 3.266,1190 3.337,1191 3.174,1192 3.083,1193 4.844,1194 3.088,1195 3.154,1196 3.231,1197 2.991,1198 2.985,1199 4.333,1200 2.982,1201 2.785,1202 2.868,1203 2.641,1204 2.629,1205 3.988,1206 2.617,1207 2.731,1208 2.825,1209 2.52,1210 2.498,1211 3.872,1212 2.495,1213 0.185,1214 0.199,1215 0.274,1216 0.162,1217 0.128,1218 4.81,1219 0.18,1220 5.18,1221 0.113,1222 7.119,1223 0.451,1224 4.223,1225 0.119,1226 3.332,1227 4.675,1228 2.95,1229 11.714,1230 3.097,1231 2.005,1232 1.999,1233 2.049,1234 2.112,1235 1.235,1236 2.112,1237 1.832,1238 1.831,1239 1.821,1240 1.948,1241 1.081,1242 1.979,1243 1.524,1244 1.472,1245 1.735,1246 1.806,1247 0.733,1248 1.775,1249 1.471,1250 1.452,1251 1.57,1252 1.638,1253 0.717,1254 1.672,1255 1.265,1256 1.195,1257 1.551,1258 1.494,1259 0.608,1260 1.508,1261 1.053,1262 0.96,1263 1.277,1264 1.345,1265 0.245,1266 1.358,1267 0.909,1268 0.847,1269 1.073,1270 1.124,1271 0.186,1272 1.117,1273 0.721,1274 0.636,1275 0.96,1276 0.997,1278 1.025,1279 3.97,1281 5.342,1282 2.398,1283 6.891,1284 4.727,1285 8.522,1286 6.843,1287 10.2,1289 4.356,1296 2.536,1305 26.073,1306 72.559,1307 151.237,1308 177.111,1309 189.866,1310 189.866,1311 189.866,1312 48.161,1313 7.158,1314 106.32,1315 114.7,1316 17,1317 12.546,1318 4.322,1319 3.585,1320 39.244,1321 81,1322 82,1323 0.244,1324 166.147,1325 277.04,1326 397.159,1327 10920,1329 17.483,1330 0.728,1331 0.589,1332 17.733,1333 14.125,1334 11.253,1335 0.433,1336 0.344,1337 7.09,1338 9.942,1339 6.645,1340 5.554,1341 12.147,1342 8.941,1343 11.481,1344 0.294,1345 0.19,1346 12.868,1347 7.416,1348 8.418,1349 0.172,1350 0.093,1351 9.162,1352 4.558,1353 7.166,1354 0.11,1355 0.045,1356 7.686,1357 2.949,1358 5.599,1359 0.069,1360 0.024,1361 6.082,1362 1.958,1363 0.376,1364 80.301,1365 0.247,1366 23.117,1367 0.691,1368 130,1369 454.98,1370 179.693,1371 458.232,1372 614.94,1373 420,1374 153,1375 432.415,1376 207.79,1377 466.965,1378 672.55,1379 434,1380 4}
{0 CHEMBL2064568,1 2.155,2 8.083,3 1.616,4 2.61,5 81.786,6 10.51,7 0.615,8 3.707,9 3.795,10 3.683,11 3.245,12 5.005,13 3.264,14 4.248,15 4.365,16 4.064,17 3.604,18 6.203,19 3.65,20 4.362,21 4.484,22 3.988,23 3.689,24 5.864,25 3.719,26 4.478,27 4.648,28 4.027,29 3.644,30 6.084,31 3.68,32 4.384,33 4.567,34 3.998,35 3.541,36 5.992,37 3.602,38 4.282,39 4.438,40 3.846,41 3.425,42 6.014,43 3.464,44 4.318,45 4.527,46 3.722,47 3.231,48 5.966,49 3.282,50 3.891,51 4.052,52 3.735,53 2.975,54 5.467,55 3.05,56 0.281,57 0.805,58 4.137,59 3.327,60 60.34,61 2.429,62 1.003,63 1.522,64 11.873,65 5.613,66 184.327,67 4.544,68 0.787,69 1.313,70 10.164,71 5.866,72 122.412,73 4.67,74 1.1,75 1.402,76 12.1,77 5.883,78 148.738,79 5.454,80 0.905,81 1.453,82 13.755,83 5.896,84 126.335,85 5.654,86 0.882,87 1.226,88 11.83,89 5.579,90 141.881,91 4.718,92 1.309,93 1.067,94 17.112,95 5.401,96 207.965,97 4.278,98 0.492,99 0.852,100 11.581,101 4.003,102 99.577,103 3.109,104 54,105 41,106 0.39,107 0.745,108 0.828,109 0.849,110 0.849,111 0.849,112 3.23,113 0.961,114 -3.74,115 -3.71,116 -3.53,119 38.2,124 1,132 1,142 2,143 3,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 4,177 2,178 2,183 3,187 9,189 1,190 1,195 2,198 2,199 7,204 1,207 1,209 1,211 1,212 5,217 2,222 2,223 1,224 3,229 1,234 1,236 3,237 2,242 1,247 1,249 2,252 1,253 1,262 2,275 746,276 14.908,277 14.908,278 14.908,279 14.908,280 14.908,281 12.83,282 10.769,283 8.274,284 15.648,285 12.862,286 12.862,287 12.862,288 12.862,289 12.862,290 9.547,291 9.138,292 3.964,293 14.175,294 2.932,295 0.974,296 0.515,297 0.397,298 0.397,299 0.397,300 3.896,303 1,304 1,305 1,306 405,307 3.937,310 52.172,311 130.732,314 92.533,318 1.174,319 56.731,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 57,331 194,332 4.809,333 5.18,334 7.297,335 4.33,336 3.433,337 4.673,338 3.825,339 12.511,340 3.13,341 4.714,342 4.471,343 7.118,344 4.188,345 3.321,346 4.592,347 2.95,348 11.7,349 2.872,350 4.15,351 3.084,352 6.287,353 3.793,354 2.892,355 3.681,357 9.477,358 2.625,359 4.082,360 2.802,361 6.059,362 3.638,363 2.688,364 3.426,366 8.763,367 2.453,368 3.441,369 2.514,370 4.954,371 2.923,372 2,373 2.833,375 5.661,376 1.84,377 3.2,378 2.124,379 4.789,380 2.705,381 1.768,382 2.447,384 5.21,385 1.637,386 3.011,387 1.747,388 4.674,389 2.51,390 1.587,391 2.199,393 4.814,394 1.439,395 2.734,396 1.564,397 4.269,398 2.204,399 1.235,400 1.826,402 3.64,403 1.191,404 2.58,405 1.127,406 3.694,407 2.022,408 1.085,409 1.616,411 2.512,412 1.013,413 1.998,414 0.679,415 3.471,416 1.488,417 0.545,418 0.78,420 1.657,421 0.51,422 1.025,423 0.629,424 2.88,425 0.576,426 -0.37,427 -0.492,428 -1.036,429 -0.348,430 1,431 0.51,432 2.752,433 0.339,434 -0.607,435 -0.808,436 -1.567,437 -0.561,438 0.809,439 0.51,440 2.598,441 0.164,442 -0.776,443 -1,445 -2.239,446 -0.7,447 0.674,448 -0.123,449 2.417,450 0.058,451 -0.862,452 -1,454 -2.477,455 -0.7,456 0.5,457 -0.231,458 2,460 -1,461 -1.015,463 -2.989,464 -0.706,465 10.857,466 0.452,467 1.118,468 0.047,469 33.75,470 1.406,471 17.5,472 0.729,473 16.25,474 0.677,475 16.703,476 0.696,477 26.943,478 0.792,479 28.37,480 1.182,481 6.623,482 0.276,483 4.431,484 0.185,485 0.223,486 0.123,487 0.313,490 3,493 0.589,494 1.016,495 0.742,496 1.173,497 0.697,498 0.85,499 0.486,500 0.698,501 0.878,502 0.974,503 0.422,504 0.776,505 0.89,506 0.995,507 1.01,508 1.12,509 0.854,510 1.12,511 0.875,512 0.826,513 0.832,514 0.807,515 0.952,516 1.026,517 0.897,518 1.099,519 0.75,520 0.958,521 0.837,522 0.882,523 1.072,524 1.193,525 1.146,526 1.297,527 0.99,528 1.288,529 1.631,530 1.05,531 1.25,532 0.735,533 1.685,534 0.906,535 0.902,536 1.275,537 0.81,538 1.46,539 1.081,540 0.98,541 8.5,543 3.556,544 2.319,545 1.812,546 1.723,547 0.54,548 0.482,549 0.499,550 0.15,551 5301,552 25286,553 1.948,554 29.4,556 5,557 1,558 2,559 2,564 1.675,565 1.735,566 3.005,567 0.502,569 1,571 1,573 73.284,574 2.155,575 4.113,576 4.572,577 4.69,578 4.69,579 4.69,580 2.418,581 3.887,582 4.56,583 3.167,584 874.054,585 7.9,586 9962.16,587 1,588 1,590 1,591 172.974,592 1.864,593 4.445,594 0.327,596 0.087,597 0.059,598 0.048,599 0.047,600 0.018,601 0.02,602 0.024,603 0.009,604 0.638,605 0.5,606 1,607 1.008,608 111.297,609 -0.029,610 -0.066,611 0.128,612 -0.031,613 -0.154,614 0.042,615 0.353,616 0.329,617 0.009,618 0.08,619 0.416,620 0.115,621 -0.185,622 -0.167,623 -0.231,624 -0.172,625 -0.134,626 -0.198,627 0.02,628 0.099,629 -0.046,630 0.029,631 -0.091,632 -0.096,633 -0.013,634 -0.148,635 0.159,636 -0.047,637 -0.001,638 0.12,639 -0.103,640 -0.166,641 -0.188,642 -0.295,643 -0.023,644 -0.321,645 -0.319,646 0.089,647 -0.141,648 0.229,649 -0.376,650 0.096,651 0.014,652 -0.394,653 0.474,654 -0.304,655 -0.132,656 0.052,657 5.932,658 5.258,659 0.625,660 16.833,661 1.068,662 1.162,663 2.513,664 6.316,665 0.69,666 3.296,667 3.738,668 3.932,669 4.22,670 4.489,671 4.605,672 4.762,673 4.812,674 4.868,675 4.89,676 5.161,677 0.705,678 357.35,679 3.296,680 4.905,681 5.759,682 6.691,683 7.574,684 8.501,685 9.397,686 10.321,687 11.222,688 12.145,689 14.7,693 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,722 1,731 34,733 18,735 26,737 36,738 13,739 11,746 3,747 4,752 1,757 1,761 11,762 2,766 2,769 1,771 2,777 1,778 1,779 3,781 10,782 9,783 2,784 11,785 1,790 5,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 1,846 3,848 24,849 1,851 1,860 1,867 1,869 3,870 5.9,873 2,877 13.833,878 6.479,879 4.833,880 1.665,881 3.318,882 1.467,883 1.02,884 3.685,885 10.428,886 3.611,887 4.353,888 4.915,889 5.57,890 6.163,891 6.571,892 7.081,893 7.483,894 7.817,895 8.205,896 1,897 39,898 9.648,900 5.069,901 8.715,902 15.585,904 13.014,905 3.215,906 77.167,910 94.169,911 81.812,912 84.295,914 44.313,915 44.88,916 6.046,917 75.766,918 138.482,919 129.176,920 7.19,922 66.943,923 119.805,924 75.247,925 13.67,926 58.856,927 7.76,928 94.169,929 160.062,930 89.193,931 6.046,933 94.169,934 89.193,937 30.633,938 79.195,939 56.28,941 139.049,942 128.608,943 81.812,945 6.046,946 101.928,947 14.722,948 54.449,950 172.325,951 94.169,952 173.489,953 81.812,955 0.621,956 0.331,957 0.168,958 0.101,959 22,960 11,961 0.056,962 2,963 1,964 1.133,965 3.333,966 205.021,967 0.133,968 15,969 103.284,973 1,974 16.53,975 5.351,976 3.181,977 -0.434,978 172.325,979 5.749,980 11.033,984 -1.168,986 32.897,987 349.47,988 36,991 -3.55,993 23.188,999 36.313,1000 39.51,1001 0.424,1002 0.809,1003 0.899,1004 0.922,1005 0.922,1006 0.922,1007 4.905,1008 1.235,1009 5.872,1010 4.814,1011 4.419,1012 5.04,1013 3.644,1014 6.806,1015 4.238,1016 6.225,1017 1.085,1018 7.528,1019 3.64,1020 4.511,1021 5.323,1022 3.903,1023 8.194,1024 4.134,1025 7.626,1026 0.545,1027 9.296,1028 2.512,1029 6.236,1030 7.471,1031 5.933,1032 11.186,1033 5.849,1034 9.063,1035 -0.37,1036 11.128,1037 1.657,1038 7.022,1039 8.473,1040 6.69,1041 13.279,1042 6.438,1043 10.528,1044 -0.607,1045 12.998,1046 -1.036,1047 8.383,1048 10.223,1049 8.407,1050 15.92,1051 7.762,1052 12.012,1053 -0.776,1054 14.894,1055 -1.567,1056 9.426,1057 11.525,1058 9.388,1059 18.262,1060 8.639,1061 13.512,1062 -0.862,1063 16.807,1064 -2.239,1065 10.675,1066 13.134,1067 10.957,1068 20.801,1069 9.821,1070 3.433,1071 -1,1072 18.734,1073 -2.477,1074 11.817,1075 14.565,1076 12.074,1077 23.238,1078 10.823,1079 3.321,1080 12.511,1081 20.669,1082 -2.989,1083 13.033,1084 16.122,1085 13.555,1086 25.747,1087 11.953,1088 2.892,1089 11.7,1090 22.613,1091 4.673,1092 14.214,1093 17.609,1094 14.758,1095 28.223,1096 13.014,1097 2.688,1098 9.477,1099 24.562,1100 4.592,1101 15.423,1102 19.149,1103 16.184,1104 30.727,1105 14.128,1106 2,1107 8.763,1108 26.516,1109 3.681,1110 16.622,1111 20.661,1112 17.441,1113 33.219,1114 15.216,1115 1.768,1116 5.661,1117 28.473,1118 3.426,1119 17.831,1120 22.195,1121 18.834,1122 35.724,1123 16.328,1124 1.587,1125 5.21,1126 30.434,1127 2.833,1128 19.039,1129 23.718,1130 20.124,1131 38.225,1132 17.432,1133 5346,1134 11816,1135 16.008,1136 23.443,1137 41.749,1138 42.372,1139 42.146,1140 41.371,1141 41.11,1142 56.148,1143 13.551,1144 131.893,1145 37.419,1146 5.513,1147 7.18,1148 6.838,1149 5.384,1150 5.433,1151 7.673,1152 6.775,1153 20.284,1154 5.088,1155 15.943,1156 1.606,1157 1.63,1158 1.621,1159 1.591,1160 1.581,1161 2.16,1162 0.521,1163 5.073,1164 1.439,1165 4.147,1166 4.186,1167 4.735,1168 4.092,1169 8.513,1170 4.034,1171 4.018,1172 4.003,1173 4.105,1174 3.914,1175 7.999,1176 3.883,1177 3.629,1178 3.64,1179 3.678,1180 3.511,1181 7.999,1182 3.482,1183 3.452,1184 3.506,1185 3.471,1186 3.159,1187 7.716,1188 3.211,1189 3.214,1190 3.279,1191 3.17,1192 2.974,1193 6.999,1194 3.01,1195 2.828,1196 2.943,1197 2.683,1198 2.57,1199 5.294,1200 2.574,1201 2.736,1202 2.831,1203 2.582,1204 2.49,1205 4.877,1206 2.494,1207 2.646,1208 2.719,1209 2.522,1210 2.345,1211 4.714,1212 2.385,1213 0.185,1214 0.199,1215 0.281,1216 0.167,1217 0.132,1218 4.809,1219 0.18,1220 5.18,1221 0.147,1222 7.297,1223 0.481,1224 4.33,1225 0.12,1226 3.433,1227 4.673,1228 3.825,1229 12.511,1230 3.13,1231 2,1232 1.996,1233 2.026,1234 2.109,1235 1.221,1236 2.106,1237 1.83,1238 1.831,1239 1.799,1240 1.95,1241 1.065,1242 1.972,1243 1.482,1244 1.471,1245 1.566,1246 1.67,1247 0.718,1248 1.676,1249 1.321,1250 1.24,1251 1.448,1252 1.638,1253 0.31,1254 1.607,1255 1.019,1256 0.964,1257 1.148,1258 1.421,1259 0.179,1260 1.315,1261 0.906,1262 0.841,1263 1.063,1264 1.117,1265 0.015,1266 1.116,1267 0.714,1268 0.629,1269 0.96,1270 0.992,1272 1.017,1273 0.555,1274 0.479,1275 0.839,1276 0.902,1278 0.865,1279 3.97,1281 5.38,1282 2.398,1283 6.956,1284 4.727,1285 8.608,1286 6.823,1287 10.304,1289 0.982,1291 39.774,1293 5.371,1301 -4.682,1305 23.981,1306 73.284,1307 139.854,1308 155.464,1309 159.464,1310 159.464,1311 159.464,1312 65.336,1313 7.11,1314 103.24,1315 111.62,1316 17,1317 12.655,1318 4.248,1319 3.459,1320 39.007,1321 74,1322 62,1323 0.266,1324 149.488,1325 254.5,1326 356.512,1327 9885,1328 8.8,1329 17.698,1330 0.737,1331 0.539,1332 15.448,1333 12.928,1334 11.054,1335 0.425,1336 0.32,1337 6.426,1338 9.552,1339 6.155,1340 5.049,1341 10.737,1342 8.332,1343 12.194,1344 0.297,1345 0.173,1346 11.586,1347 7.076,1348 8.383,1349 0.168,1350 0.086,1351 8.346,1352 4.309,1353 7.018,1354 0.105,1355 0.041,1356 6.897,1357 2.742,1358 5.952,1359 0.068,1360 0.022,1361 5.712,1362 1.937,1363 0.401,1364 80.696,1365 0.25,1366 22.693,1367 0.784,1368 134,1369 658.557,1370 197.135,1371 573.493,1372 740.12,1373 522,1374 158,1375 501.018,1376 220.772,1377 517.842,1378 769.68,1379 480,1380 4}
{0 CHEMBL2064569,1 2.056,2 7.952,3 1.338,4 1.79,5 80.618,6 10.445,7 0.696,8 3.601,9 3.689,10 3.61,11 3.217,12 4.82,13 3.191,14 4.09,15 4.207,16 3.91,17 3.582,18 5.608,19 3.569,20 4.26,21 4.383,22 3.934,23 3.656,24 5.656,25 3.627,26 4.257,27 4.417,28 3.871,29 3.6,30 5.629,31 3.544,32 4.144,33 4.344,34 3.715,35 3.458,36 5.42,37 3.389,38 4.026,39 4.172,40 3.591,41 3.354,42 5.384,43 3.272,44 3.906,45 4.089,46 3.601,47 3.133,48 5.249,49 3.062,50 3.716,51 3.897,52 3.459,53 2.868,54 5.373,55 2.84,56 0.154,57 0.541,58 4.242,59 2.845,60 22.197,61 2.29,62 0.385,63 0.816,64 10.7,65 4.832,66 54.192,67 4.413,68 0.515,69 0.868,70 12.743,71 5.354,72 59.781,73 4.448,74 0.515,75 0.82,76 10.41,77 5.273,78 56.773,79 5.242,80 0.429,81 0.735,82 15.017,83 5.202,84 44.021,85 5.516,86 0.41,87 0.634,88 16.094,89 4.957,90 43.46,91 4.613,92 0.427,93 0.553,94 13.359,95 4.147,96 49.424,97 3.924,98 0.449,99 0.43,100 11.156,101 3.114,102 55.228,103 3.007,104 27,105 35,106 0.379,107 0.744,108 0.837,109 0.861,110 0.861,111 0.861,112 3.104,113 1.054,114 -3.35,115 -3.33,116 -3.19,119 38.7,124 1,142 2,143 2,144 2,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 3,174 3,175 2,177 2,178 2,183 3,187 10,189 1,190 1,195 2,198 2,199 8,207 1,211 1,212 4,217 3,220 1,222 3,223 1,224 4,229 1,234 1,236 3,242 1,247 1,249 2,250 2,252 1,253 1,262 2,275 512,276 13.436,277 13.436,278 13.436,279 13.436,280 13.436,281 11.267,282 7.916,283 7.572,284 14.039,285 11.367,286 11.367,287 11.367,288 11.367,289 11.367,290 7.997,291 5.625,292 3.617,293 12.437,294 2.898,295 0.915,296 0.411,297 0.282,298 0.282,299 0.282,300 3.774,301 1,303 1,304 1,305 1,306 354,307 3.082,310 45.058,311 112.264,314 78.311,318 1.202,319 31.345,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 46.833,331 167,332 4.808,333 5.18,334 7.118,335 4.201,336 3.326,337 4.671,338 2.95,339 11.702,340 2.982,341 4.591,342 3.293,343 6.557,344 4.061,345 3.135,346 4.549,348 10.397,349 2.814,350 4.091,351 2.817,352 6.081,353 3.665,354 2.697,355 3.681,357 8.845,358 2.573,359 3.579,360 2.554,361 5.173,362 3.073,363 2.179,364 3.007,366 6.193,367 1.923,368 3.347,369 2.493,370 4.805,371 2.795,372 1.858,373 2.716,375 5.347,376 1.711,377 3.139,378 1.92,379 4.695,380 2.63,381 1.71,382 2.391,384 4.913,385 1.552,386 2.741,387 1.566,388 4.275,389 2.209,390 1.242,391 1.837,393 3.664,394 1.194,395 2.585,396 1.154,397 3.642,398 2.024,399 1.089,400 1.622,402 2.525,403 1.014,404 2.131,405 0.939,406 3.467,407 1.583,408 0.691,409 0.975,411 1.949,412 0.578,413 1.127,414 0.654,415 2.769,416 0.626,417 -0.259,418 -0.345,420 -0.696,421 -0.198,422 1,423 0.066,424 2.698,425 0.365,426 -0.557,427 -0.736,428 -1.427,429 -0.485,430 0.847,431 -0.123,432 2.572,433 0.166,434 -0.759,435 -0.904,436 -1.84,437 -0.635,438 0.682,439 -0.412,440 2,441 0.097,442 -0.781,443 -1.021,445 -2.28,446 -0.707,447 0.5,448 -0.604,449 2,451 -1,452 -1.269,454 -2.94,455 -0.793,456 0.454,457 -1,458 2,459 -0.041,460 -1,461 -1.5,463 -3,464 -0.958,465 10.214,466 0.486,467 0.83,468 0.04,469 31.75,470 1.512,471 17.5,472 0.833,473 14.25,474 0.679,475 13.468,476 0.641,477 22.186,478 0.716,479 22.17,480 1.056,481 6.016,482 0.286,483 3.827,484 0.182,485 0.223,486 0.082,487 0.333,493 0.601,494 1.252,495 0.682,496 1.076,497 0.764,498 0.781,499 0.695,500 0.969,501 0.843,502 0.956,503 0.553,504 0.743,505 1.211,506 1.084,507 1.059,508 1.07,509 1.264,510 1.063,511 0.978,512 1.046,513 0.817,514 0.832,515 0.963,516 1.034,517 0.858,518 0.879,519 0.916,520 0.849,521 0.65,522 0.88,523 1.184,524 1.178,525 1.584,526 1.452,527 1.055,528 1.374,529 1.09,530 1.046,531 0.675,532 0.82,533 1.385,534 0.921,535 0.88,536 0.851,537 1.024,538 0.978,539 0.939,540 0.904,541 6.5,543 2.889,544 1.819,545 1.444,546 0.906,547 0.417,548 0.397,549 0.215,550 0.15,551 3960,552 16187,553 2.006,554 32.3,556 5,557 1,558 2,559 2,564 1.634,565 1.813,566 3.008,567 0.519,569 1,571 1,573 63.732,574 2.056,575 4.039,576 4.543,577 4.672,578 4.672,579 4.672,580 2.47,581 4.166,582 4.368,583 3.135,584 658.326,585 7.491,586 6794.76,587 1,588 1,591 153.58,592 1.761,593 4.278,594 0.283,596 0.083,597 0.055,598 0.05,599 0.036,600 0.02,601 0.022,602 0.014,603 0.019,604 0.581,605 0.5,606 1,607 0.911,608 93.28,609 0.017,610 -0.057,611 0.106,612 -0.039,613 -0.214,614 0.041,615 0.121,616 0.138,617 -0.04,618 0.025,619 0.258,620 0.118,621 -0.233,622 -0.079,623 -0.208,624 -0.145,625 -0.236,626 -0.19,627 -0.058,628 -0.107,629 0.006,630 0.021,631 -0.073,632 -0.094,633 -0.041,634 0.062,635 0.073,636 0.1,637 0.046,638 0.162,639 -0.197,640 -0.245,641 -0.368,642 -0.394,643 -0.128,644 -0.377,645 0.015,646 -0.129,647 0.297,648 0.174,649 -0.192,650 0.092,651 0.361,652 0.055,653 0.2,654 0.005,655 0.314,656 0.093,657 4.249,658 4.589,659 0.714,660 13.542,661 1.039,662 1.13,663 2.121,664 4.497,665 0.733,666 3.178,667 3.584,668 3.807,669 4.078,670 4.304,671 4.369,672 4.5,673 4.595,674 4.575,675 4.605,676 4.926,677 0.714,678 323.79,679 3.178,680 4.762,681 5.617,682 6.529,683 7.407,684 8.316,685 9.201,686 10.108,687 10.998,688 11.903,689 16.1,693 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,722 1,730 1,731 31,733 18,735 23,737 33,738 12,739 11,746 3,747 4,748 1,761 11,762 1,766 2,769 1,771 2,777 1,778 1,781 10,782 6,783 2,784 9,785 2,790 5,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 1,845 1,848 21,849 1,851 1,867 1,869 1,870 6.5,873 2,877 11.583,878 5.943,879 4.333,880 1.531,881 3.34,882 1.487,883 1.025,884 3.266,885 10.194,886 3.526,887 4.273,888 4.847,889 5.49,890 6.058,891 6.435,892 6.922,893 7.358,894 7.641,895 8.023,896 1,897 33,898 7.859,900 3.616,901 8.168,902 14.123,904 11.755,905 2.668,906 56.028,910 94.169,911 74.368,912 84.295,913 39.149,914 44.313,916 6.046,917 68.322,918 177.63,919 84.295,920 7.19,922 66.943,923 119.805,924 30.681,925 13.67,926 58.856,927 39.149,928 94.169,929 152.617,930 44.313,931 45.195,933 94.169,934 44.313,937 22.873,938 79.51,939 95.429,941 94.169,942 128.608,943 113.517,945 6.046,946 94.169,947 15.037,948 54.449,950 166.593,951 94.169,952 128.608,953 113.517,955 0.61,956 0.339,957 0.175,958 0.099,959 19,960 9,961 0.061,962 2,963 1,964 1.133,965 3.195,966 167.067,967 0.133,968 15,969 90.239,973 1,974 14.108,975 4.861,976 2.667,977 0.435,978 127.444,979 7.695,980 11.932,984 1.874,986 32.897,987 336.294,988 33,991 -3.332,993 23.178,999 32.215,1000 35.02,1001 0.415,1002 0.815,1003 0.917,1004 0.943,1005 0.943,1006 0.943,1007 4.787,1008 1.089,1009 5.687,1010 3.664,1011 4.263,1012 4.959,1013 2.913,1014 6.575,1015 4.09,1016 6.091,1017 0.691,1018 7.309,1019 2.525,1020 4.205,1021 5.198,1023 7.796,1024 3.871,1025 7.48,1026 -0.259,1027 9.037,1028 1.949,1029 5.999,1030 7.4,1031 5.027,1032 10.802,1033 5.643,1034 8.907,1035 -0.557,1036 10.828,1037 -0.696,1038 6.673,1039 8.386,1041 12.774,1042 6.143,1043 10.364,1044 -0.759,1045 12.657,1046 -1.427,1047 8.057,1048 10.158,1049 7.185,1050 15.381,1051 7.491,1052 11.842,1053 -0.781,1054 14.512,1055 -1.84,1056 9.028,1057 11.455,1059 17.633,1060 8.301,1061 13.336,1062 -1,1063 16.387,1064 -2.28,1065 10.271,1066 13.073,1067 9.348,1068 20.117,1069 9.481,1070 3.326,1071 -1,1072 18.275,1073 -2.94,1074 11.363,1075 14.502,1077 22.477,1078 10.431,1079 3.135,1080 11.702,1081 20.175,1082 -3,1083 12.559,1084 16.063,1085 11.511,1086 24.923,1087 11.542,1088 2.697,1089 10.397,1090 22.084,1091 4.671,1092 13.702,1093 17.548,1095 27.328,1096 12.554,1097 2.179,1098 8.845,1099 23.999,1100 4.549,1101 14.884,1102 19.088,1103 13.675,1104 29.766,1105 13.638,1106 1.858,1107 6.193,1108 25.92,1109 3.681,1110 16.048,1111 20.597,1113 32.191,1114 14.68,1115 1.71,1116 5.347,1117 27.846,1118 3.007,1119 17.228,1120 22.13,1121 15.838,1122 34.63,1123 15.754,1124 1.242,1125 4.913,1126 29.776,1127 2.716,1128 18.402,1129 23.65,1131 37.065,1132 16.811,1133 3939,1134 8084,1135 14.622,1136 22.727,1137 36.197,1138 38.306,1139 36.838,1140 36.045,1141 35.854,1142 50.898,1143 5.9,1144 111.069,1145 32.683,1146 5.484,1147 7.18,1148 6.66,1149 5.255,1150 5.326,1151 7.671,1152 5.9,1153 18.751,1154 4.938,1155 12.375,1156 1.574,1157 1.665,1158 1.602,1159 1.567,1160 1.559,1161 2.213,1162 0.257,1163 4.829,1164 1.421,1165 4.136,1166 4.172,1167 4.735,1168 4.091,1169 7.716,1170 4.026,1171 4.012,1172 4,1173 4.157,1174 3.904,1175 6.999,1176 3.874,1177 3.629,1178 3.64,1179 3.681,1180 3.507,1181 5.315,1182 3.481,1183 3.317,1184 3.381,1185 3.531,1186 3.121,1187 4.919,1188 3.143,1189 2.935,1190 2.978,1191 3.144,1192 2.823,1193 4.807,1194 2.815,1195 2.827,1196 2.941,1197 2.682,1198 2.559,1199 4.502,1200 2.562,1201 2.735,1202 2.83,1203 2.523,1204 2.489,1205 4.084,1206 2.494,1207 2.565,1208 2.653,1209 2.394,1210 2.316,1211 3.743,1212 2.321,1213 0.209,1214 0.225,1215 0.309,1216 0.183,1217 0.145,1218 4.808,1219 0.203,1220 5.18,1221 0.128,1222 7.118,1223 0.509,1224 4.201,1225 0.13,1226 3.326,1227 4.671,1228 2.95,1229 11.702,1230 2.982,1231 1.993,1232 1.992,1233 2.01,1234 2.092,1235 1.211,1236 2.098,1237 1.812,1238 1.813,1239 1.776,1240 1.933,1241 1.037,1242 1.955,1243 1.47,1244 1.457,1245 1.562,1246 1.647,1247 0.699,1248 1.666,1249 1.311,1250 1.228,1251 1.441,1252 1.635,1253 0.244,1254 1.598,1255 0.911,1256 0.852,1257 1.066,1258 1.127,1259 0.168,1260 1.119,1261 0.794,1262 0.726,1263 1.02,1264 1.038,1265 0.002,1266 1.06,1267 0.711,1268 0.626,1269 0.958,1270 0.988,1272 1.007,1273 0.534,1274 0.455,1275 0.817,1276 0.801,1278 0.819,1279 3.85,1281 5.231,1282 2.398,1283 6.788,1284 4.727,1285 8.424,1286 6.823,1287 10.103,1289 1.127,1290 6.138,1293 5.536,1305 22.132,1306 63.732,1307 125.216,1308 140.825,1309 144.825,1310 144.825,1311 144.825,1312 38.225,1313 6.854,1314 103.24,1315 111.62,1316 17,1317 12.424,1318 4.248,1319 3.459,1320 32.116,1321 62,1322 56,1323 0.263,1324 144.634,1325 234.2,1326 344.668,1327 7374,1328 3.2,1329 15.198,1330 0.724,1331 0.592,1332 15.948,1333 12.428,1334 9.842,1335 0.428,1336 0.351,1337 5.904,1338 8.349,1339 5.548,1340 4.589,1341 11.025,1342 8.082,1343 10.199,1344 0.291,1345 0.198,1346 11.957,1347 6.919,1348 7.602,1349 0.173,1350 0.096,1351 8.678,1352 4.237,1353 6.377,1354 0.11,1355 0.047,1356 7.253,1357 2.74,1358 5.225,1359 0.072,1360 0.026,1361 6.051,1362 1.901,1363 0.398,1364 74.353,1365 0.262,1366 20.361,1367 0.759,1368 116,1369 408.428,1370 177.638,1371 447.15,1372 591.5,1373 408,1374 137,1375 393.88,1376 201.656,1377 439.732,1378 634.95,1379 408,1380 4}
{0 CHEMBL2064570,1 2.04,2 9.375,3 0.746,4 0.556,5 84.411,6 9.705,7 0.615,8 3.738,9 3.827,10 3.67,11 3.296,12 4.994,13 3.293,14 4.245,15 4.376,16 3.96,17 3.635,18 5.781,19 3.651,20 4.422,21 4.557,22 3.946,23 3.697,24 5.905,25 3.709,26 4.411,27 4.582,28 3.912,29 3.628,30 5.913,31 3.633,32 4.325,33 4.53,34 3.786,35 3.527,36 5.688,37 3.526,38 4.222,39 4.374,40 3.724,41 3.47,42 5.704,43 3.468,44 4.191,45 4.353,46 3.729,47 3.317,48 5.776,49 3.329,50 4.078,51 4.288,52 3.464,53 3.083,54 5.818,55 3.084,56 0.194,57 0.682,58 5.82,59 3.431,60 27.983,61 2.958,62 0.509,63 1.03,64 13.298,65 5.567,66 70.003,67 5.395,68 0.775,69 1.177,70 14.778,71 5.858,72 107.317,73 4.967,74 0.709,75 1.154,76 13.472,77 5.779,78 87.036,79 6.211,80 0.64,81 1.048,82 15.635,83 5.211,84 65.134,85 5.523,86 0.59,87 1.01,88 12.97,89 5.275,90 76.262,91 4.69,92 0.68,93 0.893,94 13.309,95 5.009,96 105.572,97 4.835,98 0.821,99 0.752,100 13.882,101 4.259,102 133.081,103 4.391,104 42,105 39,106 0.363,107 0.737,108 0.844,109 0.864,110 0.864,111 0.864,112 3.229,113 0.995,114 -3.33,115 -3.31,116 -3.17,119 38.9,120 1,124 1,142 2,143 2,144 2,145 2,150 1,151 1,158 1,161 1,166 1,172 3,174 3,175 3,178 3,180 1,183 2,187 8,190 1,195 1,198 4,199 9,211 2,212 5,217 2,223 1,224 3,229 1,236 3,237 2,242 1,245 2,249 2,250 1,253 1,258 1,262 2,263 1,271 1,275 772,276 15.298,277 15.298,278 15.298,279 15.298,280 15.298,281 12.974,282 11.619,283 8.729,284 15.825,285 12.867,286 12.867,287 12.867,288 12.867,289 12.867,290 9.22,291 12.905,292 4.189,293 13.795,294 3.13,295 1.031,296 0.431,297 0.32,298 0.32,299 0.32,300 3.901,304 1,305 1,306 471,307 3.674,310 53.001,311 135.963,314 94.376,318 1.656,319 44.479,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55,331 225,332 4.808,333 5.18,334 7.118,335 4.202,336 3.326,337 4.671,338 2.95,339 11.702,340 3.006,341 4.597,342 3.538,343 6.564,344 4.078,345 3.144,346 4.553,347 1.907,348 10.438,349 2.832,350 4.1,351 3.277,352 6.085,353 3.685,354 2.717,355 3.686,356 0.149,357 8.875,358 2.596,359 3.723,360 2.817,361 5.383,362 3.344,363 2.386,364 3.095,366 6.956,367 2.285,368 3.427,369 2.561,370 4.992,371 2.965,372 2,373 2.716,375 5.645,376 1.907,377 3.346,378 2.489,379 4.761,380 2.803,381 1.85,382 2.695,384 5.239,385 1.75,386 3.087,387 1.976,388 4.38,389 2.584,390 1.633,391 2.28,393 4.341,394 1.538,395 2.74,396 1.577,397 4.261,398 2.209,399 1.24,400 1.834,402 3.656,403 1.195,404 2.585,405 1.158,406 3.643,407 2.024,408 1.089,409 1.621,411 2.525,412 1.015,413 2.131,414 0.932,415 3.467,416 1.611,417 0.691,418 0.975,420 1.951,421 0.628,422 1.195,423 0.654,424 2.777,425 0.775,426 -0.17,427 -0.215,428 -0.468,429 -0.158,430 1,431 0.583,432 2.716,433 0.486,434 -0.43,435 -0.533,436 -1.152,437 -0.384,438 0.925,439 0.068,440 2.582,441 0.38,442 -0.557,443 -0.743,445 -1.438,446 -0.514,447 0.843,448 -0.052,449 2.491,450 0.167,451 -0.77,452 -1.016,454 -2,455 -0.694,456 0.682,457 -0.123,458 2,459 0.095,460 -1,461 -1.269,463 -2.262,464 -0.793,465 11.119,466 0.463,467 0.936,468 0.039,469 35.25,470 1.469,471 19,472 0.792,473 16.25,474 0.677,475 15.846,476 0.66,477 26.081,478 0.724,479 27.087,480 1.129,481 6.889,482 0.287,483 4.347,484 0.181,485 0.206,486 0.075,487 0.351,491 1,493 0.56,494 1.211,495 0.756,496 1.232,497 0.615,498 0.904,499 0.642,500 0.986,501 0.917,502 1.052,503 0.565,504 0.808,505 1.254,506 0.994,507 1.148,508 0.993,509 1.294,510 1.029,511 0.848,512 1.132,513 0.75,514 0.899,515 0.839,516 1.009,517 0.931,518 0.89,519 0.883,520 0.762,521 0.765,522 0.79,523 1.266,524 1.261,525 1.23,526 1.229,527 1.169,528 1.181,529 1.025,530 1.25,531 0.859,532 1.124,533 1.174,534 1.096,535 1.194,536 1.069,537 0.94,538 0.784,539 1.113,540 0.893,541 7.5,542 0.087,543 2.889,544 2.069,545 1.569,546 1.178,547 0.58,548 0.478,549 0.265,550 0.18,551 5791,552 23805,553 1.982,554 33.3,556 5,557 1,558 2,559 1,560 3,564 1.67,565 1.789,566 3.215,567 -0.136,569 1,571 1,573 73.43,574 2.04,575 4.139,576 4.739,577 4.85,578 4.85,579 4.85,580 2.705,581 4.22,582 4.554,583 3.389,584 935.349,585 7.866,586 10777.1,588 1,591 186.117,592 1.75,593 4.469,594 0.288,595 0.01,596 0.074,597 0.056,598 0.045,599 0.038,600 0.021,601 0.019,602 0.014,603 0.013,604 0.578,605 0.5,606 1,607 1.181,608 113.196,609 0.015,610 -0.142,611 0.172,612 -0.09,613 -0.11,614 -0.007,615 0.109,616 0.008,617 0.015,618 -0.017,619 0.154,620 0.11,621 -0.252,622 0.025,623 -0.293,624 -0.047,625 -0.256,626 -0.154,627 0.043,628 -0.164,629 0.046,630 -0.046,631 0.007,632 -0.072,633 -0.079,634 0.115,635 0.041,636 0.135,637 -0.022,638 0.177,639 -0.211,640 -0.064,641 -0.272,642 -0.205,643 -0.135,644 -0.25,645 0.075,646 -0.263,647 0.119,648 -0.16,649 -0.034,650 -0.13,651 0.15,652 0.145,653 0.107,654 0.155,655 0.208,656 0.104,657 4.35,658 6.243,659 0.625,660 20.111,661 1.045,662 1.14,663 2.097,664 4.397,665 0.695,666 3.296,667 3.689,668 3.892,669 4.174,670 4.407,671 4.543,672 4.7,673 4.779,674 4.828,675 4.913,676 5.724,677 0.692,678 349.38,679 3.296,680 4.875,681 5.72,682 6.629,683 7.501,684 8.409,685 9.292,686 10.2,687 11.09,688 11.997,689 13.9,696 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,730 1,731 36,733 19,735 26,737 38,738 14,739 11,746 3,747 4,752 1,761 12,762 2,766 3,769 1,771 3,775 1,777 1,778 1,779 1,781 12,782 8,783 1,784 10,785 1,790 5,794 0.667,795 3,805 2,811 1,812 2,815 1,826 1,840 2,842 1,844 2,846 1,848 24,851 1,855 1,867 1,869 1,870 8.3,873 3,877 13.417,878 7.276,879 5,880 1.865,881 3.403,882 1.475,883 1,884 3.977,885 10.561,886 3.638,887 4.353,888 4.893,889 5.544,890 6.119,891 6.548,892 7.053,893 7.477,894 7.812,895 8.228,896 1,897 37,898 9.06,900 4.197,901 8.378,902 15.975,904 13.079,905 2.878,906 69.083,910 129.482,911 93.518,912 69.409,914 69.458,915 14.96,916 6.046,917 87.472,918 198.94,919 84.369,920 16.016,921 18.011,922 34.046,923 149.654,924 36.302,925 28.63,926 94.169,928 129.482,929 156.881,930 84.418,931 6.046,933 144.442,934 69.458,937 49.709,938 56.938,939 56.28,941 144.442,942 138.867,943 93.518,945 6.046,946 129.482,947 25.362,948 63.274,949 18.011,950 134.652,951 129.482,952 153.827,953 93.518,955 0.604,956 0.323,957 0.169,958 0.096,959 20,960 10,961 0.079,962 3,963 1,964 1.133,965 3.463,966 197.817,967 0.133,968 15,969 108.039,973 1,974 16.342,975 5.84,976 3.391,977 -0.06,978 152.663,979 6.706,980 11.721,984 0.119,986 18.011,987 376.827,988 37,991 -3.434,993 34.275,997 -0.378,999 37.614,1000 41.04,1001 0.395,1002 0.801,1003 0.917,1004 0.938,1005 0.938,1006 0.938,1007 4.898,1008 1.24,1009 5.784,1010 4.341,1011 4.369,1012 5.04,1013 3.197,1014 6.658,1015 4.233,1016 6.19,1017 1.089,1018 7.394,1019 3.656,1020 4.29,1021 5.263,1022 1.593,1023 7.847,1024 4.03,1025 7.569,1026 0.691,1027 9.112,1028 2.525,1029 6.084,1030 7.445,1031 5.134,1032 10.853,1033 5.78,1034 8.986,1035 -0.17,1036 10.891,1037 1.951,1038 6.735,1039 8.418,1040 3.032,1041 12.804,1042 6.282,1043 10.432,1044 -0.43,1045 12.71,1046 -0.468,1047 8.118,1048 10.181,1049 7.226,1050 15.41,1051 7.614,1052 11.9,1053 -0.557,1054 14.557,1055 -1.152,1056 9.072,1057 11.471,1058 4.409,1059 17.653,1060 8.422,1061 13.386,1062 -0.77,1063 16.424,1064 -1.438,1065 10.315,1066 13.086,1067 9.364,1068 20.135,1069 9.595,1070 3.326,1071 -1,1072 18.307,1073 -2,1074 11.397,1075 14.512,1076 5.75,1077 22.492,1078 10.543,1079 3.144,1080 11.702,1081 20.201,1082 -2.262,1083 12.592,1084 16.071,1085 11.518,1086 24.937,1087 11.652,1088 2.717,1089 10.438,1090 22.106,1091 4.671,1092 13.729,1093 17.555,1094 7.068,1095 27.34,1096 12.666,1097 2.386,1098 8.875,1099 24.017,1100 4.553,1101 14.909,1102 19.094,1103 13.678,1104 29.777,1105 13.751,1106 2,1107 6.956,1108 25.936,1109 3.686,1110 16.07,1111 20.604,1112 8.374,1113 32.202,1114 14.797,1115 1.85,1116 5.645,1117 27.859,1118 3.095,1119 17.249,1120 22.136,1121 15.84,1122 34.64,1123 15.874,1124 1.633,1125 5.239,1126 29.787,1127 2.716,1128 18.422,1129 23.657,1130 9.674,1131 37.075,1132 16.936,1133 5803,1134 11894,1135 16.414,1136 25.023,1137 40.629,1138 43.06,1139 41.306,1140 40.24,1141 40.153,1142 56.252,1143 10.012,1144 122.657,1145 37.504,1146 5.544,1147 7.18,1148 6.66,1149 5.257,1150 5.326,1151 7.671,1152 5.9,1153 18.751,1154 4.962,1155 15.2,1156 1.563,1157 1.656,1158 1.589,1159 1.548,1160 1.544,1161 2.164,1162 0.385,1163 4.718,1164 1.442,1165 4.141,1166 4.179,1167 4.735,1168 4.09,1169 8.201,1170 4.025,1171 4.015,1172 4.002,1173 4.095,1174 3.894,1175 7.716,1176 3.872,1177 3.652,1178 3.671,1179 3.686,1180 3.515,1181 7.43,1182 3.496,1183 3.541,1184 3.576,1185 3.481,1186 3.323,1187 6.999,1188 3.342,1189 3.23,1190 3.29,1191 3.17,1192 3.033,1193 5.114,1194 3.053,1195 2.954,1196 3.011,1197 2.917,1198 2.756,1199 4.844,1200 2.779,1201 2.752,1202 2.853,1203 2.585,1204 2.539,1205 4.262,1206 2.528,1207 2.727,1208 2.825,1209 2.52,1210 2.475,1211 3.871,1212 2.484,1213 0.185,1214 0.199,1215 0.274,1216 0.162,1217 0.128,1218 4.808,1219 0.18,1220 5.18,1221 0.113,1222 7.118,1223 0.45,1224 4.202,1225 0.116,1226 3.326,1227 4.671,1228 2.95,1229 11.702,1230 3.006,1231 1.993,1232 1.991,1233 2.015,1234 2.101,1235 1.209,1236 2.1,1237 1.81,1238 1.808,1239 1.783,1240 1.94,1241 1.028,1242 1.96,1243 1.522,1244 1.471,1245 1.734,1246 1.806,1247 0.732,1248 1.774,1249 1.466,1250 1.446,1251 1.563,1252 1.637,1253 0.694,1254 1.668,1255 1.172,1256 1.1,1257 1.321,1258 1.458,1259 0.269,1260 1.432,1261 0.909,1262 0.848,1263 1.066,1264 1.125,1265 0.198,1266 1.117,1267 0.759,1268 0.683,1269 1.007,1270 1.04,1271 0.035,1272 1.045,1273 0.707,1274 0.623,1275 0.957,1276 0.987,1278 1.002,1279 3.97,1281 5.342,1282 2.398,1283 6.884,1284 4.727,1285 8.508,1286 6.843,1287 10.177,1289 2.352,1291 14.243,1296 2.369,1305 24.929,1306 73.43,1307 148.998,1308 170.608,1309 174.608,1310 174.608,1311 174.608,1312 58.506,1313 7.158,1314 106.32,1315 114.7,1316 17,1317 12.518,1318 4.322,1319 3.585,1320 39.246,1321 82,1322 81,1323 0.242,1324 157.753,1325 265.81,1326 376.678,1327 10901,1328 2.8,1329 17.483,1330 0.728,1331 0.563,1332 16.863,1333 13.503,1334 11.236,1335 0.432,1336 0.332,1337 6.743,1338 9.818,1339 6.383,1340 5.298,1341 11.72,1342 8.62,1343 11.589,1344 0.297,1345 0.184,1346 12.437,1347 7.159,1348 8.269,1349 0.172,1350 0.088,1351 8.607,1352 4.231,1353 7.068,1354 0.11,1355 0.042,1356 7.164,1357 2.687,1358 5.641,1359 0.07,1360 0.023,1361 5.799,1362 1.837,1363 0.373,1364 81.104,1365 0.247,1366 23.147,1367 0.681,1368 130,1369 541.091,1370 183.19,1371 512.212,1372 672.98,1373 468,1374 152,1375 463.396,1376 210.476,1377 491.319,1378 708.28,1379 456,1380 4.7}
{0 CHEMBL2064571,1 1.926,2 9.44,3 1.39,4 1.932,5 93.133,6 8.677,7 0.593,8 3.869,9 3.984,10 3.709,11 3.386,12 5.05,13 3.371,14 4.394,15 4.557,16 4.049,17 3.769,18 5.827,19 3.758,20 4.621,21 4.786,22 4.102,23 3.934,24 5.93,25 3.87,26 4.806,27 5.049,28 4.054,29 3.9,30 6.108,31 3.827,32 4.581,33 4.752,34 3.864,35 3.722,36 6.047,37 3.705,38 4.442,39 4.621,40 3.77,41 3.671,42 5.791,43 3.614,44 4.482,45 4.74,46 3.726,47 3.537,48 5.645,49 3.476,50 4.171,51 4.343,52 3.61,53 3.379,54 5.848,55 3.33,56 0.175,57 0.774,58 9.579,59 3.725,60 21.178,61 4.162,62 0.496,63 1.185,64 16.384,65 6.311,66 67.524,67 7.492,68 0.594,69 1.432,70 21.757,71 7.9,72 50.959,73 8.897,74 0.867,75 1.405,76 40.656,77 10.909,78 104.656,79 13.001,80 0.858,81 1.178,82 22.172,83 6.934,84 137.203,85 7.282,86 0.525,87 1.163,88 18.734,89 6.675,90 57.095,91 7.679,92 0.672,93 1.011,94 24.012,95 6.133,96 75.62,97 8.206,98 0.637,99 0.835,100 12.853,101 4.718,102 99.804,103 5.855,104 53,105 42,106 0.335,107 0.69,108 0.766,109 0.783,110 0.783,111 0.783,112 3.267,113 0.982,114 -3.25,115 -3.24,116 -3.1,119 35.7,120 3,130 1,142 2,143 2,144 2,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 3,174 3,175 2,177 2,178 4,180 3,183 5,187 8,189 1,190 1,192 1,195 1,198 2,199 13,202 1,204 1,211 1,212 4,217 3,220 3,222 2,223 1,224 6,229 2,232 3,234 1,236 3,240 1,242 1,245 3,247 1,249 2,252 1,253 2,258 3,262 2,263 3,266 1,275 848,276 15.591,277 15.591,278 15.591,279 15.591,280 15.591,281 13.46,282 12.409,283 8.721,284 16.07,285 13.359,286 13.359,287 13.359,288 13.359,289 13.359,290 10.014,291 11.976,292 4.182,293 14.185,294 3.467,295 1.42,296 0.983,297 0.888,298 0.888,299 0.888,300 3.935,303 1,304 1,305 1,306 494,307 4.062,310 58.208,311 144.392,314 100.463,318 1.462,319 42.4,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 56.5,331 236,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.715,339 12.767,340 3.218,341 4.593,342 3.283,343 6.558,344 4.089,345 3.142,346 4.55,348 10.405,349 2.986,350 4.121,351 3.179,352 6.35,353 3.917,354 2.96,355 3.69,357 9.724,358 2.803,359 3.991,360 2.725,361 6.079,362 3.661,363 2.687,364 3.069,366 8.838,367 2.6,368 3.577,369 2.53,370 5.173,371 3.101,372 2.178,373 2.976,375 6.196,376 2.001,377 3.344,378 1.961,379 4.891,380 2.818,381 1.86,382 2.706,384 5.422,385 1.778,386 3.139,387 1.784,388 4.731,389 2.64,390 1.711,391 2.39,393 4.952,394 1.582,395 2.742,396 1.34,397 4.338,398 2.221,399 1.248,400 1.838,402 3.713,403 1.211,404 2.585,405 1.132,406 3.656,407 2.028,408 1.091,409 1.622,411 2.532,412 1.019,413 2.131,414 0.931,415 3.477,416 1.61,417 0.691,418 0.975,420 1.949,421 0.628,422 1.127,423 0.206,424 3.275,425 0.66,426 -0.259,427 -0.345,428 -0.696,429 -0.233,430 1,431 0.058,432 2.737,433 0.637,434 -0.324,435 -0.359,436 -1.134,437 -0.309,438 0.864,439 -0.28,440 2.657,441 0.38,442 -0.561,443 -0.744,445 -1.467,446 -0.52,447 0.843,448 -0.415,449 2.568,450 0.165,451 -0.762,452 -0.907,454 -1.843,455 -0.677,456 0.676,457 -0.604,458 2,459 0.123,460 -0.784,461 -1,463 -2.292,464 -0.725,465 11.686,466 0.467,467 1.123,468 0.045,469 34,470 1.36,471 17.5,472 0.7,473 16.5,474 0.66,475 20.218,476 0.809,477 27.914,478 0.665,479 26.783,480 1.071,481 6.342,482 0.254,483 5.207,484 0.208,485 0.244,486 0.114,487 0.291,491 1,493 0.589,494 1.274,495 0.784,496 1.273,497 0.701,498 0.947,499 0.556,500 0.994,501 0.673,502 0.877,503 0.493,504 0.756,505 0.979,506 1.11,507 1.206,508 1.264,509 0.945,510 1.233,511 0.89,512 0.882,513 1.171,514 1.126,515 0.898,516 0.769,517 1.753,518 0.923,519 1.134,520 0.825,521 1.969,522 0.96,523 1.162,524 1.358,525 1.19,526 1.349,527 1.159,528 1.342,529 0.848,530 0.76,531 0.737,532 0.723,533 0.899,534 0.752,535 0.605,536 1.08,537 0.884,538 1.162,539 0.704,540 1.282,541 9,542 0.116,543 3.333,544 2.694,545 1.764,546 1.101,547 0.602,548 0.605,549 0.302,550 0.304,551 6368,552 21765,553 1.95,554 40.5,556 2,557 1,558 2,559 3,561 9,564 1.682,565 1.744,566 3.215,567 1.124,568 1,569 1,573 80.877,574 1.926,575 3.972,576 4.409,577 4.505,578 4.505,579 4.505,580 2.683,581 4.214,582 4.618,583 3.38,584 1013.98,585 7.994,586 11983.3,587 1,588 1,591 226.477,592 1.851,593 4.509,594 0.333,595 0.008,596 0.079,597 0.069,598 0.044,599 0.033,600 0.021,601 0.023,602 0.013,603 0.018,604 0.643,605 0.33,606 1,607 1.257,608 119.229,609 0.024,610 -0.126,611 0.192,612 -0.083,613 -0.164,614 0.024,615 0.225,616 0.03,617 0.21,618 0.135,619 0.244,620 0.198,621 -0.096,622 -0.015,623 -0.202,624 -0.167,625 -0.105,626 -0.278,627 0.073,628 -0.025,629 0.122,630 0.055,631 0.116,632 0.307,633 -0.393,634 0.017,635 -0.236,636 0.095,637 -0.346,638 -0.059,639 -0.132,640 -0.187,641 -0.264,642 -0.317,643 -0.135,644 -0.373,645 0.037,646 0.036,647 0.239,648 0.168,649 -0.06,650 0.235,651 0.48,652 0.044,653 -0.039,654 -0.219,655 0.422,656 -0.35,657 4.675,658 6.173,659 0.6,660 19.197,661 1.028,662 1.147,663 2.018,664 4.071,665 0.669,666 3.332,667 3.761,668 3.932,669 4.248,670 4.407,671 4.477,672 4.635,673 4.754,674 4.771,675 4.828,676 5.732,677 0.65,678 364.45,679 3.332,680 4.934,681 5.778,682 6.708,683 7.572,684 8.498,685 9.372,686 10.295,687 11.175,688 12.094,689 14.3,691 1,693 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,722 1,730 1,731 42,733 18,735 27,737 44,738 15,739 11,746 3,747 4,752 3,761 11,762 4,763 1,766 2,769 1,771 2,777 1,778 1,779 1,781 17,782 8,783 3,784 10,785 1,790 6,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 3,846 1,848 25,849 1,852 1,855 1,860 1,867 1,869 1,870 4.8,873 2,877 14.333,878 8.443,879 5.083,880 2.219,881 3.31,882 1.462,883 0.977,884 4.175,885 10.478,886 3.638,887 4.366,888 4.908,889 5.562,890 6.089,891 6.47,892 6.964,893 7.408,894 7.704,895 8.089,896 1,897 39,898 9.511,900 4.442,901 8.207,902 16.924,904 14.032,905 2.707,906 67.667,910 164.795,911 99.035,912 100.7,914 44.313,915 14.96,916 5.807,917 93.228,918 209.108,919 115.66,920 26.476,922 83.11,923 119.805,924 36.302,925 28.63,926 129.482,928 164.795,929 193.928,930 59.273,931 5.807,933 73.816,934 150.253,937 65.754,938 77.94,939 56.042,941 179.756,942 145.013,943 99.035,945 5.807,946 164.795,947 20.657,948 73.734,949 16.405,950 142.404,951 164.795,952 159.973,953 99.035,955 0.614,956 0.322,957 0.178,958 0.092,959 22,960 11,961 0.091,962 4,963 1,964 1.133,965 3.48,966 211.654,967 0.133,968 15,969 109.342,973 1,974 17.585,975 5.936,976 3.727,977 -0.007,978 158.809,979 6.833,980 11.61,984 0.128,986 49.302,987 423.804,988 37,991 -3.758,993 24.889,999 43.156,1000 48.16,1001 0.357,1002 0.737,1003 0.818,1004 0.835,1005 0.835,1006 0.835,1007 4.927,1008 1.248,1009 5.883,1010 4.952,1011 4.443,1012 5.053,1014 6.799,1015 4.327,1016 6.238,1017 1.091,1018 7.522,1019 3.713,1020 4.511,1021 5.323,1023 8.153,1024 4.335,1025 7.633,1026 0.691,1027 9.27,1028 2.532,1029 6.24,1030 7.47,1032 11.135,1033 6.007,1034 9.063,1035 -0.259,1036 11.08,1037 1.949,1038 6.995,1039 8.463,1041 13.203,1042 6.692,1043 10.52,1044 -0.324,1045 12.928,1046 -0.696,1047 8.353,1048 10.213,1050 15.836,1051 7.995,1052 11.997,1053 -0.561,1054 14.802,1055 -1.134,1056 9.373,1057 11.515,1059 18.172,1060 8.94,1061 13.491,1062 -0.762,1063 16.694,1064 -1.467,1065 10.615,1066 13.126,1068 20.712,1069 10.122,1070 3.464,1071 -0.784,1072 18.602,1073 -1.843,1074 11.742,1075 14.56,1077 23.157,1078 11.173,1079 3.142,1080 12.767,1081 20.521,1082 -2.292,1083 12.951,1084 16.121,1086 25.677,1087 12.317,1088 2.96,1089 10.405,1090 22.45,1091 4.715,1092 14.124,1093 17.613,1095 28.17,1096 13.413,1097 2.687,1098 9.724,1099 24.387,1100 4.55,1101 15.328,1102 19.156,1104 30.693,1105 14.547,1106 2.178,1107 8.838,1108 26.331,1109 3.69,1110 16.522,1111 20.672,1113 33.21,1114 15.665,1115 1.86,1116 6.196,1117 28.281,1118 3.069,1119 17.73,1120 22.21,1122 35.739,1123 16.799,1124 1.711,1125 5.422,1126 30.237,1127 2.976,1128 18.936,1129 23.738,1131 38.268,1132 17.93,1133 6361,1134 11954,1135 16.701,1136 28.097,1137 42.791,1138 43.24,1139 43.327,1140 42.071,1141 42.065,1142 57.064,1144 132.998,1145 39.647,1146 5.723,1147 6.691,1148 6.898,1149 5.463,1150 5.464,1151 7.715,1153 20.459,1154 5.174,1155 16.56,1156 1.585,1157 1.601,1158 1.605,1159 1.558,1160 1.558,1161 2.113,1163 4.926,1164 1.468,1165 4.141,1166 4.179,1167 4.736,1168 4.07,1169 8.201,1170 4.021,1171 4.02,1172 4.02,1173 4.09,1174 3.883,1175 7.717,1176 3.864,1177 3.719,1178 3.778,1179 3.683,1180 3.575,1181 6.999,1182 3.574,1183 3.516,1184 3.523,1185 3.494,1186 3.399,1187 5.285,1188 3.353,1189 3.308,1190 3.364,1191 3.27,1192 3.096,1193 4.873,1194 3.114,1195 2.951,1196 3.013,1197 2.917,1198 2.75,1199 4.696,1200 2.773,1201 2.874,1202 3.009,1203 2.679,1204 2.618,1205 4.368,1206 2.57,1207 2.874,1208 3.009,1209 2.499,1210 2.618,1211 4.111,1212 2.57,1213 0.181,1214 0.174,1215 0.272,1216 0.163,1217 0.128,1218 4.877,1219 0.175,1220 4.691,1222 7.356,1223 0.473,1224 4.395,1225 0.119,1226 3.464,1227 4.715,1229 12.767,1230 3.218,1231 1.988,1232 1.981,1233 2.016,1234 2.103,1235 1.219,1236 2.102,1237 1.821,1238 1.806,1239 1.962,1240 1.98,1241 1.133,1242 1.992,1243 1.675,1244 1.618,1245 1.763,1246 1.843,1247 0.931,1248 1.852,1249 1.33,1250 1.333,1251 1.442,1252 1.651,1253 0.469,1254 1.599,1255 1.29,1256 1.221,1257 1.417,1258 1.487,1259 0.469,1260 1.523,1261 0.934,1262 0.82,1263 1.417,1264 1.239,1265 0.465,1266 1.308,1267 0.934,1268 0.804,1269 1.128,1270 1.239,1271 0.185,1272 1.308,1273 0.875,1274 0.804,1275 1.038,1276 1.134,1277 0.061,1278 1.107,1279 4.007,1281 5.407,1282 2.398,1283 6.969,1284 4.727,1285 8.607,1286 6.823,1287 10.289,1289 5.209,1291 14.173,1293 5.478,1296 2.549,1301 -0.641,1305 27.289,1306 80.877,1307 166.829,1308 185.193,1309 189.193,1310 189.193,1311 189.193,1312 64.802,1313 7.169,1314 115.27,1315 123.65,1316 17,1317 12.61,1318 4.248,1319 3.459,1320 41.719,1321 86,1322 79,1323 0.243,1324 173.071,1325 287.96,1326 414.053,1327 11214,1328 2.4,1329 18.405,1330 0.736,1331 0.587,1332 17.785,1333 14.672,1334 11.549,1335 0.428,1336 0.327,1337 7.342,1338 10.193,1339 6.932,1340 5.83,1341 11.96,1342 8.842,1343 12.559,1344 0.299,1345 0.197,1346 13.306,1347 8.262,1348 8.469,1349 0.169,1350 0.099,1351 9.24,1352 4.927,1353 7.812,1354 0.113,1355 0.054,1356 8.634,1357 3.712,1358 5.676,1359 0.07,1360 0.027,1361 6.019,1362 2.197,1363 0.374,1364 81.908,1365 0.245,1366 23.874,1367 0.686,1368 138,1369 504.668,1370 194.231,1371 484.972,1372 646.62,1373 442,1374 161,1375 453.73,1376 227.716,1377 490.302,1378 711.39,1379 454,1380 5}
{0 CHEMBL2064572,1 1.926,2 9.4,3 1.39,4 1.932,5 93.133,6 8.677,7 0.593,8 3.869,9 3.984,10 3.709,11 3.386,12 5.05,13 3.371,14 4.394,15 4.557,16 4.049,17 3.769,18 5.828,19 3.758,20 4.619,21 4.784,22 4.094,23 3.933,24 5.903,25 3.874,26 4.811,27 5.052,28 4.06,29 3.9,30 6.132,31 3.827,32 4.592,33 4.759,34 3.903,35 3.721,36 6.086,37 3.715,38 4.426,39 4.608,40 3.847,41 3.671,42 5.735,43 3.615,44 4.508,45 4.756,46 3.74,47 3.537,48 6.001,49 3.485,50 4.148,51 4.331,52 3.489,53 3.38,54 5.475,55 3.314,56 0.175,57 0.774,58 9.579,59 3.725,60 21.178,61 4.162,62 0.496,63 1.185,64 16.384,65 6.311,66 67.312,67 7.492,68 0.522,69 1.434,70 21.683,71 7.936,72 47.921,73 8.711,74 0.932,75 1.425,76 40.834,77 10.909,78 106.947,79 12.946,80 0.933,81 1.247,82 22.411,83 6.955,84 144.717,85 7.093,86 0.425,87 1.157,88 18.6,89 6.665,90 49.807,91 8.066,92 0.983,93 1.038,94 24.311,95 6.134,96 133.923,97 8.011,98 0.397,99 0.793,100 12.546,101 4.709,102 51.101,103 5.812,104 53,105 42,106 0.335,107 0.69,108 0.766,109 0.783,110 0.783,111 0.783,112 3.268,113 0.982,114 -3.25,115 -3.24,116 -3.1,119 35.7,120 3,130 1,142 2,143 2,144 2,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 2,174 3,175 4,177 2,178 4,180 3,183 5,187 7,189 1,190 1,192 1,195 1,198 2,199 11,202 1,204 2,207 1,209 1,211 1,212 5,217 2,220 3,222 1,223 1,224 4,229 1,232 3,234 1,236 3,237 2,240 1,242 2,245 3,247 1,249 2,252 1,253 2,262 2,263 3,266 1,271 3,275 853,276 15.591,277 15.591,278 15.591,279 15.591,280 15.591,281 13.453,282 12.409,283 8.721,284 16.076,285 13.359,286 13.359,287 13.359,288 13.359,289 13.359,290 10.014,291 11.976,292 4.182,293 14.186,294 3.467,295 1.42,296 0.983,297 0.888,298 0.888,299 0.888,300 3.935,303 1,304 1,305 1,306 492,307 4.062,310 59.023,311 143.611,314 100.93,318 1.456,319 43.098,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 56.5,331 235,332 4.877,333 4.691,334 7.356,335 4.396,336 3.465,337 4.715,339 12.768,340 3.219,341 4.564,342 3.268,343 6.544,344 4.089,345 3.131,346 4.497,348 10.361,349 3.006,350 4.162,351 3.177,352 6.344,353 3.908,354 2.953,355 3.771,357 9.698,358 2.792,359 4.008,360 2.83,361 6.121,362 3.687,363 2.735,364 3.126,366 8.98,367 2.595,368 3.59,369 2.395,370 5.161,371 3.089,372 2.141,373 2.976,375 6.149,376 2.018,377 3.219,378 1.995,379 4.791,380 2.735,381 1.82,382 2.489,384 5.165,385 1.673,386 3.162,387 1.752,388 4.728,389 2.647,390 1.692,391 2.453,393 4.957,394 1.598,395 2.835,396 1.434,397 4.465,398 2.318,399 1.355,400 1.97,402 4.065,403 1.299,404 2.606,405 1.187,406 3.64,407 2.046,408 1.112,409 1.649,411 2.561,412 1.034,413 2.066,414 0.799,415 3.46,416 1.565,417 0.616,418 0.877,420 1.764,421 0.579,422 1.007,423 0.206,424 3.274,425 0.638,426 -0.322,427 -0.358,428 -0.878,429 -0.292,430 1,431 0.068,432 2.722,433 0.552,434 -0.341,435 -0.435,436 -1.109,437 -0.31,438 0.958,439 -0.28,440 2.649,441 0.512,442 -0.437,443 -0.574,445 -1.22,446 -0.412,447 0.861,448 -0.352,449 2.589,450 0.191,451 -0.726,452 -0.977,454 -1.834,455 -0.653,456 0.718,457 -0.653,458 2,459 0.093,460 -0.842,461 -1,463 -2.352,464 -0.778,465 11.686,466 0.467,467 1.123,468 0.045,469 34,470 1.36,471 17.5,472 0.7,473 16.5,474 0.66,475 20.271,476 0.811,477 27.914,478 0.665,479 26.84,480 1.074,481 6.343,482 0.254,483 5.206,484 0.208,485 0.244,486 0.114,487 0.291,491 1,493 0.589,494 1.274,495 0.784,496 1.273,497 0.701,498 0.947,499 0.556,500 0.994,501 0.673,502 0.877,503 0.491,504 0.756,505 1.097,506 1.228,507 1.221,508 1.269,509 0.981,510 1.216,511 0.919,512 0.862,513 1.192,514 1.124,515 0.958,516 0.781,517 1.869,518 0.979,519 1.154,520 0.827,521 2.167,522 0.956,523 0.765,524 1.304,525 0.931,526 1.358,527 0.795,528 1.279,529 0.942,530 0.782,531 0.884,532 0.714,533 0.925,534 0.792,535 0.851,536 1.066,537 0.967,538 1.163,539 0.978,540 1.297,541 9,542 0.116,543 3.333,544 2.917,545 1.559,546 1.209,547 0.742,548 0.484,549 0.376,550 0.244,551 6328,552 21509,553 1.95,554 40.5,556 2,557 1,558 2,559 3,561 9,564 1.683,565 1.744,566 3.217,567 1.124,568 1,569 1,573 80.877,574 1.926,575 3.972,576 4.409,577 4.505,578 4.505,579 4.505,580 2.695,581 4.103,582 4.618,583 3.369,584 1010.81,585 7.997,586 11907.3,587 1,588 1,591 226.477,592 1.851,593 4.509,594 0.333,595 0.011,596 0.079,597 0.075,598 0.039,599 0.036,600 0.025,601 0.018,602 0.018,603 0.013,604 0.646,605 0.33,606 1,607 1.257,608 119.051,609 0.024,610 -0.126,611 0.192,612 -0.083,613 -0.164,614 0.024,615 0.225,616 0.03,617 0.21,618 0.135,619 0.246,620 0.198,621 -0.217,622 -0.136,623 -0.217,624 -0.172,625 -0.141,626 -0.26,627 0.096,628 0.033,629 0.105,630 0.059,631 0.11,632 0.289,633 -0.374,634 0.062,635 -0.245,636 0.098,637 -0.403,638 -0.069,639 0.044,640 -0.303,641 -0.017,642 -0.334,643 -0.006,644 -0.284,645 0.229,646 0.228,647 0.111,648 0.187,649 0.221,650 0.162,651 0.022,652 -0.094,653 -0.14,654 -0.227,655 -0.078,656 -0.343,657 4.706,658 6.399,659 0.6,660 19.085,661 1.028,662 1.147,663 2.018,664 4.071,665 0.669,666 3.332,667 3.761,668 3.932,669 4.248,670 4.407,671 4.489,672 4.673,673 4.745,674 4.754,675 4.762,676 5.687,677 0.65,678 364.45,679 3.332,680 4.934,681 5.778,682 6.708,683 7.572,684 8.499,685 9.373,686 10.296,687 11.176,688 12.096,689 14.3,691 1,693 1,697 1,699 3,703 1,704 5,705 3,709 5,711 16,722 1,730 1,731 42,733 18,735 27,737 44,738 15,739 11,746 3,747 4,752 3,761 11,762 4,763 1,766 2,769 1,771 2,777 1,778 1,779 1,781 17,782 8,783 3,784 10,785 1,790 6,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 3,846 1,848 25,849 1,852 1,855 1,860 1,867 1,869 1,870 4.8,873 2,877 14.333,878 8.443,879 5.083,880 2.219,881 3.342,882 1.466,883 0.977,884 4.175,885 10.511,886 3.638,887 4.366,888 4.902,889 5.558,890 6.093,891 6.48,892 6.993,893 7.4,894 7.67,895 8.049,896 1,897 39,898 9.523,900 4.457,901 8.207,902 16.924,904 14.032,905 2.707,906 67.667,910 164.795,911 99.035,912 100.7,914 44.313,915 14.96,916 5.807,917 93.228,918 209.108,919 115.66,920 26.476,922 83.11,923 119.805,924 36.302,925 28.63,926 129.482,928 164.795,929 193.928,930 59.273,931 5.807,933 73.816,934 150.253,937 65.754,938 77.94,939 56.042,941 179.756,942 145.013,943 99.035,945 5.807,946 164.795,947 20.657,948 73.734,949 16.405,950 142.404,951 164.795,952 159.973,953 99.035,955 0.614,956 0.322,957 0.178,958 0.092,959 22,960 11,961 0.091,962 4,963 1,964 1.133,965 3.475,966 212.059,967 0.133,968 15,969 109.342,973 1,974 17.585,975 5.936,976 3.727,977 0.255,978 158.809,979 6.5,980 11.728,984 -0.194,986 49.302,987 423.804,988 37,991 -3.789,993 24.886,999 43.156,1000 48.16,1001 0.357,1002 0.737,1003 0.818,1004 0.835,1005 0.835,1006 0.835,1007 4.927,1008 1.355,1009 5.883,1010 4.957,1011 4.443,1012 5.053,1014 6.799,1015 4.327,1016 6.238,1017 1.112,1018 7.522,1019 4.065,1020 4.511,1021 5.323,1023 8.153,1024 4.335,1025 7.633,1026 0.616,1027 9.27,1028 2.561,1029 6.24,1030 7.467,1032 11.135,1033 6.009,1034 9.063,1035 -0.322,1036 11.08,1037 1.764,1038 6.995,1039 8.456,1041 13.203,1042 6.696,1043 10.519,1044 -0.341,1045 12.928,1046 -0.878,1047 8.353,1048 10.204,1050 15.835,1051 7.999,1052 11.996,1053 -0.437,1054 14.802,1055 -1.109,1056 9.373,1057 11.498,1059 18.171,1060 8.948,1061 13.488,1062 -0.726,1063 16.694,1064 -1.22,1065 10.615,1066 13.107,1068 20.71,1069 10.131,1070 3.465,1071 -0.842,1072 18.602,1073 -1.834,1074 11.741,1075 14.534,1077 23.155,1078 11.185,1079 3.131,1080 12.768,1081 20.521,1082 -2.352,1083 12.95,1084 16.091,1086 25.676,1087 12.33,1088 2.953,1089 10.361,1090 22.45,1091 4.715,1092 14.121,1093 17.577,1095 28.169,1096 13.429,1097 2.735,1098 9.698,1099 24.387,1100 4.497,1101 15.325,1102 19.116,1104 30.692,1105 14.564,1106 2.141,1107 8.98,1108 26.331,1109 3.771,1110 16.519,1111 20.627,1113 33.208,1114 15.684,1115 1.82,1116 6.149,1117 28.281,1118 3.126,1119 17.726,1120 22.161,1122 35.738,1123 16.819,1124 1.692,1125 5.165,1126 30.236,1127 2.976,1128 18.932,1129 23.685,1131 38.267,1132 17.951,1133 6321,1134 11842,1135 16.701,1136 28.097,1137 42.771,1138 43.185,1139 43.327,1140 42.074,1141 42.042,1142 57.043,1144 132.934,1145 39.626,1146 5.724,1147 6.691,1148 6.898,1149 5.464,1150 5.465,1151 7.715,1153 20.467,1154 5.175,1155 16.508,1156 1.584,1157 1.599,1158 1.605,1159 1.558,1160 1.557,1161 2.113,1163 4.923,1164 1.468,1165 4.141,1166 4.178,1167 4.736,1168 4.07,1169 8.201,1170 4.021,1171 4.019,1172 4.019,1173 4.087,1174 3.884,1175 7.717,1176 3.863,1177 3.719,1178 3.778,1179 3.684,1180 3.575,1181 6.999,1182 3.574,1183 3.519,1184 3.527,1185 3.494,1186 3.399,1187 5.294,1188 3.355,1189 3.317,1190 3.368,1191 3.298,1192 3.095,1193 4.866,1194 3.119,1195 2.921,1196 3.009,1197 2.84,1198 2.752,1199 4.711,1200 2.758,1201 2.874,1202 3.009,1203 2.705,1204 2.618,1205 4.368,1206 2.57,1207 2.874,1208 2.999,1209 2.499,1210 2.618,1211 4.017,1212 2.57,1213 0.181,1214 0.174,1215 0.272,1216 0.163,1217 0.128,1218 4.877,1219 0.175,1220 4.691,1222 7.356,1223 0.473,1224 4.396,1225 0.119,1226 3.465,1227 4.715,1229 12.768,1230 3.219,1231 1.987,1232 1.98,1233 2.012,1234 2.103,1235 1.218,1236 2.102,1237 1.822,1238 1.806,1239 1.961,1240 1.98,1241 1.131,1242 1.992,1243 1.676,1244 1.619,1245 1.772,1246 1.843,1247 0.934,1248 1.853,1249 1.334,1250 1.335,1251 1.448,1252 1.651,1253 0.48,1254 1.601,1255 1.29,1256 1.222,1257 1.417,1258 1.487,1259 0.469,1260 1.524,1261 0.934,1262 0.815,1263 1.417,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.146,1270 1.239,1271 0.22,1272 1.308,1273 0.863,1274 0.804,1275 1.057,1276 1.138,1277 0.028,1278 1.093,1279 4.007,1281 5.407,1282 2.398,1283 6.969,1284 4.727,1285 8.607,1286 6.804,1287 10.289,1289 5.18,1291 14.399,1293 5.504,1296 2.532,1301 -0.656,1305 27.289,1306 80.877,1307 166.829,1308 185.193,1309 189.193,1310 189.193,1311 189.193,1312 65.817,1313 7.169,1314 115.27,1315 123.65,1316 17,1317 12.612,1318 4.248,1319 3.459,1320 41.687,1321 85,1322 81,1323 0.245,1324 173.071,1325 287.96,1326 414.053,1327 11243,1328 2.4,1329 18.405,1330 0.736,1331 0.587,1332 17.785,1333 14.672,1334 11.549,1335 0.428,1336 0.327,1337 7.342,1338 10.188,1339 6.933,1340 5.828,1341 11.96,1342 8.842,1343 12.559,1344 0.299,1345 0.197,1346 13.306,1347 8.255,1348 8.469,1349 0.169,1350 0.099,1351 9.24,1352 4.939,1353 7.821,1354 0.113,1355 0.054,1356 8.634,1357 3.714,1358 5.628,1359 0.069,1360 0.027,1361 6.019,1362 2.185,1363 0.376,1364 81.908,1365 0.245,1366 23.849,1367 0.696,1368 138,1369 504.668,1370 194.231,1371 484.865,1372 646.56,1373 442,1374 161,1375 453.73,1376 227.189,1377 490.044,1378 710.6,1379 454,1380 4}
{0 CHEMBL2069328,1 1.655,2 13.25,3 2.015,4 4.061,5 110.654,6 7.455,7 0.379,8 4.049,9 4.178,10 3.635,11 3.587,12 5.169,13 3.533,14 4.578,15 4.771,16 4.05,17 3.951,18 5.708,19 3.875,20 4.811,21 5.008,22 4.004,23 4.08,24 5.939,25 3.973,26 4.934,27 5.185,28 4.039,29 4.078,30 6.037,31 3.936,32 4.754,33 4.958,34 3.796,35 3.917,36 5.913,37 3.807,38 4.718,39 4.988,40 3.731,41 3.819,42 5.81,43 3.673,44 4.608,45 4.863,46 3.72,47 3.716,48 5.68,49 3.613,50 4.473,51 4.67,52 3.775,53 3.657,54 5.777,55 3.588,56 0.042,57 0.797,58 11.881,59 5.075,60 9.2,61 6.631,62 0.323,63 1.242,64 23.58,65 8.271,66 35.932,67 11.389,68 0.4,69 1.459,70 30.299,71 9.86,72 64.821,73 12.885,74 0.549,75 1.501,76 40.843,77 12.583,78 78.096,79 16.377,80 0.455,81 1.283,82 30.421,83 9.238,84 81.643,85 11.876,86 0.452,87 1.217,88 29.711,89 9.332,90 71.57,91 13.162,92 0.419,93 1.097,94 28.272,95 7.466,96 55.754,97 10.123,98 0.309,99 0.992,100 24.112,101 7.193,102 45.409,103 9.42,104 76,105 41,106 0.276,107 0.599,108 0.742,109 0.779,110 0.792,111 0.792,112 3.373,113 1.015,114 -3.51,115 -3.49,116 -3.33,119 37,120 5,121 1,125 1,130 1,142 4,143 2,146 1,152 1,157 1,158 1,159 1,162 1,172 6,175 5,178 4,179 1,180 6,183 11,187 3,195 9,198 1,199 9,202 2,203 1,204 4,207 9,212 3,217 2,220 4,223 1,224 4,227 2,228 1,229 7,232 2,237 3,242 3,245 1,249 2,250 8,253 1,255 6,258 3,263 1,266 1,268 2,271 2,275 1376,276 17.602,277 17.602,278 17.602,279 17.602,280 17.602,281 15.841,282 22.797,283 10.252,284 17.939,285 14.31,286 14.31,287 14.31,288 14.31,289 14.31,290 11.522,291 35.415,292 4.889,293 14.877,294 4.1,295 2.166,296 1.311,297 1.089,298 1.015,299 1.015,300 4.03,304 1,305 1,306 749,307 4.743,310 93.979,311 106.147,318 2.268,319 32.493,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 61,331 371,332 4.448,333 3.649,334 6.502,335 4.101,336 3.13,337 4.151,338 1.907,339 10.172,340 3.035,341 4.157,342 3.547,343 6.445,344 4.013,345 3.079,346 3.665,347 1.656,348 10.151,349 2.912,350 4.109,351 3.543,352 5.916,353 3.736,354 2.733,355 3.205,356 1.277,357 8.168,358 2.713,359 3.766,360 3.112,361 5.472,362 3.437,363 2.477,364 3.066,365 0.247,366 7.268,367 2.362,368 3.536,369 3.079,370 5.046,371 3.224,372 2.219,373 2.776,374 0.149,375 5.94,376 2.221,377 3.466,378 2.43,379 4.908,380 3.082,381 2.093,382 2.596,384 5.706,385 2.047,386 3.069,387 2.083,388 4.639,389 2.633,390 1.706,391 2.224,393 4.75,394 1.554,395 2.781,396 1.81,397 4,398 2.314,399 1.304,400 1.81,402 3.218,403 1.302,404 2.5,405 1.638,406 3.673,407 2.002,408 1.029,409 1.5,411 2.421,412 1,413 2.352,414 1.006,415 3.414,416 2,417 1,418 1.264,420 2.275,421 0.989,422 2.192,423 1,424 3.375,425 1.756,426 0.862,427 1.115,428 2.216,429 0.749,430 1.049,431 0.783,432 2.944,433 0.858,434 -0.071,435 -0.074,436 -0.189,437 -0.066,438 1,439 0.458,440 2.548,441 0.619,442 -0.359,443 -0.428,445 -0.928,446 -0.341,447 0.981,448 0.328,449 2.492,450 0.573,451 -0.393,452 -0.499,454 -0.973,455 -0.376,456 0.875,457 0.235,458 2,459 0.516,460 -0.544,461 -0.711,463 -1.305,464 -0.565,465 13.433,466 0.48,467 1.038,468 0.037,469 32.25,470 1.152,471 15,472 0.536,473 17.25,474 0.616,475 27.435,476 0.98,477 31.567,478 0.585,479 24.33,480 0.869,481 6.159,482 0.22,483 6.889,484 0.246,485 0.261,486 0.037,487 0.298,493 0.707,494 1.336,495 0.807,496 1.049,497 0.586,498 1.019,499 0.445,500 1.078,501 0.685,502 0.944,503 0.469,504 0.867,505 1.362,506 1.06,507 1.186,508 1.016,509 1.224,510 1.108,511 0.827,512 0.938,513 1.045,514 1.08,515 0.902,516 0.901,517 1.642,518 1.158,519 1.316,520 1.11,521 1.681,522 1.144,523 0.493,524 1.02,525 0.824,526 0.954,527 0.41,528 0.92,529 1.316,530 0.834,531 1.049,532 0.819,533 1.108,534 0.766,535 0.985,536 1.345,537 1.064,538 1.344,539 1.045,540 1.085,541 8.5,542 0.182,543 3.111,544 2.569,545 1.157,546 1.042,547 0.508,548 0.553,549 0.238,550 0.251,551 10034,552 28611,553 1.888,554 48.1,556 6,559 3,560 8,561 9,564 1.704,565 1.706,566 3.656,567 0.953,568 1,569 1,573 89.359,574 1.655,575 3.589,576 4.444,577 4.666,578 4.74,579 4.74,580 3.115,581 4.423,582 4.775,583 3.897,584 1473.02,585 8.273,586 20979.8,588 1,590 1,591 310.764,592 1.734,593 4.685,594 0.293,595 0.009,596 0.076,597 0.069,598 0.031,599 0.035,600 0.018,601 0.02,602 0.008,603 0.013,604 0.572,605 0.33,606 1,607 2.162,608 144.963,609 -0.061,610 -0.088,611 0.043,612 0.024,613 -0.069,614 0.015,615 0.296,616 0.045,617 0.269,618 0.1,619 0.152,620 0.147,621 -0.283,622 0.048,623 -0.198,624 -0.017,625 -0.209,626 -0.15,627 0.127,628 0.029,629 0.123,630 0.023,631 0.066,632 0.112,633 -0.326,634 -0.129,635 -0.277,636 -0.112,637 -0.284,638 -0.198,639 0.28,640 -0.063,641 0.154,642 0.005,643 0.249,644 0.067,645 -0.178,646 0.189,647 0.057,648 0.157,649 -0.095,650 0.169,651 0.175,652 -0.293,653 0.051,654 -0.268,655 0.152,656 -0.103,657 2.073,658 5.031,659 0.393,660 32.959,661 1.003,662 1.132,663 2.282,664 5.208,665 0.656,666 3.401,667 3.738,668 3.829,669 4.043,670 4.094,671 4.205,672 4.304,673 4.304,674 4.248,675 4.317,676 7.913,677 0.615,678 402.57,679 3.401,680 4.949,681 5.746,682 6.621,683 7.438,684 8.315,685 9.143,686 10.021,687 10.858,688 11.737,689 7.4,696 3,699 1,704 4,705 1,708 1,709 5,711 11,716 1,731 54,733 14,734 1,735 29,737 55,738 20,739 9,740 2,741 4,742 1,746 2,747 2,751 1,752 5,758 1,761 12,762 8,763 1,766 3,771 3,775 3,778 1,781 26,782 7,783 3,784 8,785 1,790 4,794 1,795 3,811 1,812 1,826 1,840 2,842 1,844 5,848 28,854 2,855 3,860 1,863 1,870 5.6,873 3,877 16.417,878 11.2,879 6.042,880 3.114,881 2.204,882 1.32,883 0.921,884 7.446,885 9.086,886 3.651,887 4.201,888 4.606,889 5.144,890 5.497,891 5.823,892 6.234,893 6.444,894 6.695,895 6.913,896 0.889,897 37,898 10.369,900 4.27,901 7.961,902 19.435,904 15.241,905 2.461,906 68.917,910 270.735,911 143.05,912 70.818,914 75.435,916 31.278,917 111.772,918 346.17,919 70.818,920 44.126,921 58.672,922 37.905,923 102.058,924 9.629,925 5.634,926 302.013,928 270.735,929 182.59,930 75.435,931 31.278,933 164.795,934 181.375,937 106.056,938 59.748,939 16.786,940 31.278,941 270.735,942 146.253,943 143.05,946 270.735,947 61.019,948 82.031,949 54.032,950 92.22,951 270.735,952 146.253,953 143.05,955 0.592,956 0.3,957 0.151,958 0.07,959 17,960 10,961 0.127,962 7,964 1,965 3.932,966 216.457,968 11,969 125.851,970 1,974 22.188,975 9.397,976 7.105,978 146.253,979 7.294,980 4.377,983 1.356,984 3.779,986 54.032,987 560.038,988 37.5,993 35.179,997 -0.507,999 54.185,1000 61.109,1001 0.288,1002 0.624,1003 0.772,1004 0.811,1005 0.824,1006 0.824,1007 4.903,1008 1.304,1009 5.79,1010 4.75,1011 4.419,1012 4.887,1013 2.715,1014 6.589,1015 4.348,1016 6.134,1017 1.029,1018 7.356,1019 3.218,1020 4.29,1021 4.856,1022 1.977,1023 7.673,1024 4.215,1025 7.453,1026 1,1027 9.022,1028 2.421,1029 6.066,1030 7.003,1031 3.519,1032 10.585,1033 5.923,1034 8.799,1035 0.862,1036 10.744,1037 2.275,1038 6.648,1039 7.685,1040 3.4,1041 12.406,1042 6.491,1043 10.169,1044 -0.071,1045 12.5,1046 2.216,1047 8.002,1048 9.408,1049 4.5,1050 14.915,1051 7.789,1052 11.556,1053 -0.359,1054 14.28,1055 -0.189,1056 8.881,1057 10.427,1058 4.713,1059 17.026,1060 8.641,1061 12.957,1062 -0.393,1063 16.076,1064 -0.928,1065 10.084,1066 11.976,1067 5.59,1068 19.405,1069 9.797,1070 3.13,1071 -0.544,1072 17.885,1073 -0.973,1074 11.096,1075 13.172,1076 5.991,1077 21.634,1078 10.772,1079 3.079,1080 10.172,1081 19.703,1082 -1.305,1083 12.244,1084 14.643,1085 6.75,1086 23.969,1087 11.878,1088 2.733,1089 10.151,1090 21.529,1091 4.151,1092 13.316,1093 15.935,1094 7.257,1095 26.247,1096 12.909,1097 2.477,1098 8.168,1099 23.362,1100 3.665,1101 14.445,1102 17.371,1103 7.955,1104 28.568,1105 13.998,1106 2.219,1107 7.268,1108 25.199,1109 3.205,1110 15.545,1111 18.717,1112 8.521,1113 30.867,1114 15.057,1115 2.093,1116 5.94,1117 27.041,1118 3.066,1119 16.669,1120 20.138,1121 9.188,1122 33.184,1123 16.141,1124 1.706,1125 5.706,1126 28.887,1127 2.776,1128 17.783,1129 21.514,1130 9.787,1131 35.493,1132 17.214,1133 10270,1134 17524,1135 17.8,1136 35.409,1137 44.304,1138 45.842,1139 44.804,1140 43.202,1141 43.261,1142 54.742,1143 10.474,1144 124.571,1145 41.768,1146 5.397,1147 5.649,1148 6.052,1149 5.235,1150 5.13,1151 7.151,1152 3.306,1153 16.929,1154 5.035,1155 20.218,1156 1.528,1157 1.581,1158 1.545,1159 1.49,1160 1.492,1161 1.888,1162 0.361,1163 4.296,1164 1.44,1165 4.009,1166 4.027,1167 4.261,1168 3.986,1169 7.434,1170 3.953,1171 3.814,1172 3.87,1173 3.817,1174 3.705,1175 7.427,1176 3.674,1177 3.765,1178 3.799,1179 3.705,1180 3.631,1181 7.426,1182 3.633,1183 3.608,1184 3.67,1185 3.502,1186 3.419,1187 4.869,1188 3.423,1189 3.403,1190 3.447,1191 3.304,1192 3.214,1193 4.615,1194 3.223,1195 3.334,1196 3.384,1197 3.242,1198 3.07,1199 4.394,1200 3.11,1201 3.031,1202 3.114,1203 2.997,1204 2.861,1205 4.139,1206 2.805,1207 2.874,1208 3.009,1209 2.773,1210 2.735,1211 3.838,1212 2.715,1213 0.153,1214 0.126,1215 0.224,1216 0.141,1217 0.108,1218 4.448,1219 0.143,1220 3.649,1221 0.066,1222 6.502,1223 0.351,1224 4.101,1225 0.105,1226 3.13,1227 4.151,1228 1.907,1229 10.172,1230 3.035,1231 1.936,1232 1.919,1233 2.025,1234 2.003,1235 1.174,1236 2.014,1237 1.757,1238 1.697,1239 1.983,1240 1.965,1241 1.151,1242 1.969,1243 1.592,1244 1.529,1245 1.824,1246 1.837,1247 1.068,1248 1.833,1249 1.529,1250 1.496,1251 1.732,1252 1.7,1253 0.831,1254 1.71,1255 1.394,1256 1.353,1257 1.637,1258 1.613,1259 0.679,1260 1.615,1261 1.298,1262 1.248,1263 1.417,1264 1.536,1265 0.482,1266 1.544,1267 1.026,1268 0.999,1269 1.417,1270 1.272,1271 0.469,1272 1.308,1273 0.934,1274 0.821,1275 1.411,1276 1.239,1277 0.469,1278 1.308,1279 4.078,1281 5.407,1282 2.398,1283 6.884,1284 4.727,1285 8.43,1286 6.804,1287 10.015,1289 9.105,1295 0.437,1296 8.191,1301 -0.295,1305 33.212,1306 89.359,1307 193.789,1308 239.97,1309 251.97,1310 255.97,1311 255.97,1312 80.543,1313 6.881,1314 100.19,1315 128.43,1316 11,1317 12.282,1318 3.907,1319 3.248,1320 62.437,1321 132,1322 114,1323 0.228,1324 214.708,1325 375.8,1326 515.648,1327 8589,1329 20.897,1330 0.746,1331 0.629,1332 21.251,1333 17.62,1334 13.048,1335 0.45,1336 0.338,1337 8.958,1338 12.136,1339 8.428,1340 7.133,1341 13.456,1342 9.813,1343 13.039,1344 0.318,1345 0.207,1346 13.681,1347 8.495,1348 8.497,1349 0.189,1350 0.108,1351 9.334,1352 4.845,1353 7.152,1354 0.128,1355 0.062,1356 8.093,1357 3.453,1358 4.577,1359 0.078,1360 0.034,1361 5.296,1362 2.003,1363 0.371,1364 85.751,1365 0.237,1366 27.523,1367 0.586,1368 140,1369 438.711,1370 181.705,1371 443.949,1372 586.79,1373 410,1374 156,1375 400.666,1376 191.64,1377 423.232,1378 607.18,1379 394,1380 5.724}
{0 CHEMBL2071326,1 1.934,2 8.65,3 0.868,4 0.754,5 78.713,6 9.437,7 0.524,8 3.611,9 3.696,10 3.594,11 3.256,12 4.781,13 3.184,14 4.102,15 4.226,16 3.896,17 3.592,18 5.67,19 3.519,20 4.243,21 4.375,22 3.813,23 3.669,24 5.588,25 3.568,26 4.264,27 4.407,28 3.772,29 3.66,30 5.595,31 3.528,32 4.198,33 4.39,34 3.421,35 3.471,36 5.39,37 3.35,38 4.039,39 4.273,40 3.375,41 3.306,42 5.079,43 3.146,44 3.914,45 4.09,46 3.51,47 3.175,48 5.213,49 3.068,50 3.903,51 4.095,52 3.196,53 2.995,54 5.384,55 2.917,56 0.125,57 0.534,58 7.195,59 3.418,60 23.121,61 3.226,62 0.388,63 0.808,64 13.888,65 5.699,66 68.845,67 6.058,68 0.419,69 0.883,70 16.296,71 6.612,72 63.091,73 5.906,74 0.362,75 0.908,76 21.548,77 7.871,78 50.504,79 7.438,80 0.375,81 0.821,82 18.573,83 6.26,84 52.659,85 6.376,86 0.241,87 0.672,88 15.951,89 5.775,90 32.543,91 6.64,92 0.282,93 0.593,94 13.446,95 4.769,96 40.756,97 4.877,98 0.34,99 0.558,100 17.03,101 5.042,102 47.878,103 5.191,104 42,105 31,106 0.358,107 0.707,108 0.756,109 0.812,110 0.812,111 0.812,112 3.057,113 1.145,114 -2.29,115 -2.33,116 -2.29,119 36.4,120 2,142 4,143 1,144 1,146 1,152 1,158 1,162 1,163 1,164 1,165 1,172 4,174 1,175 3,177 2,178 4,180 2,183 5,187 5,192 2,195 6,197 2,198 1,199 8,204 4,207 5,209 2,212 4,217 3,220 2,222 1,224 2,229 2,232 2,237 4,242 1,245 2,247 1,249 2,250 4,252 1,253 1,255 1,258 2,260 1,266 2,267 1,270 1,275 478,276 12.488,277 12.488,278 12.488,279 12.488,280 12.488,281 10.673,282 12.176,283 7.13,284 12.908,285 10.362,286 10.362,287 10.362,288 10.362,289 10.362,290 7.557,291 14.503,292 3.387,293 11.102,294 3.11,295 1.22,296 0.955,297 0.652,298 0.652,299 0.652,300 3.703,304 1,305 1,306 349,307 3.536,310 59.989,311 67.097,318 1.515,319 29.605,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.5,331 173,332 4.802,333 4.661,334 7.111,335 4.233,336 3.317,337 4.662,338 1.907,339 11.659,340 3.012,341 4.431,342 3.536,343 6.498,344 3.982,345 3.06,346 4.127,347 0.149,348 10.158,349 2.828,350 3.816,351 3.11,352 5.447,353 3.404,354 2.455,355 3.315,357 7.2,358 2.323,359 3.533,360 2.396,361 4.983,362 3.113,363 2.116,364 2.779,366 5.687,367 2.096,368 3.168,369 2.031,370 4.597,371 2.668,372 1.702,373 2.378,375 4.693,376 1.626,377 2.942,378 1.661,379 4.332,380 2.486,381 1.534,382 2.073,384 4.154,385 1.433,386 2.5,387 1.022,388 3.891,389 2,390 1,391 1.5,393 2.668,394 1,395 2.374,396 1,397 3.414,398 1.777,399 0.909,400 1.312,402 2.275,403 0.769,404 1.049,405 0.589,406 2.831,407 0.674,408 -0.263,409 -0.307,411 -0.701,412 -0.241,413 1,414 0.234,415 2.529,416 0.555,417 -0.379,418 -0.485,420 -0.957,421 -0.35,422 0.98,423 -0.01,424 2.368,425 0.139,426 -0.798,427 -0.972,428 -1.972,429 -0.717,430 0.517,431 -0.356,432 2,433 0.091,434 -1,435 -1.226,436 -2,437 -1,438 0.5,439 -0.891,440 2,442 -1,443 -1.353,445 -3,446 -1,447 0.387,448 -1,449 2,451 -1,452 -1.5,454 -3,455 -1,456 0.294,457 -1,458 1.703,460 -1,461 -1.732,463 -3,464 -1.089,465 9.867,466 0.493,467 0.816,468 0.041,469 27.25,470 1.363,471 15,472 0.75,473 12.25,474 0.613,475 14.829,476 0.741,477 21.933,478 0.665,479 18.453,480 0.923,481 5.117,482 0.256,483 4.153,484 0.208,485 0.243,486 0.084,487 0.304,493 0.585,494 1.175,495 0.806,496 1.074,497 0.736,498 0.844,499 0.421,500 1.013,501 0.799,502 0.953,503 0.431,504 0.809,505 1.364,506 0.944,507 1.164,508 0.925,509 1.227,510 0.967,511 0.894,512 1.27,513 1.371,514 1.386,515 0.845,516 1.239,517 1.054,518 1.024,519 1.199,520 1.056,521 0.883,522 1.136,523 0.533,524 0.948,525 0.507,526 0.73,527 0.446,528 0.999,529 0.973,530 1.167,531 0.803,532 1.107,533 1.084,534 1.033,535 0.958,536 1.167,537 1.142,538 1.282,539 1.046,540 1.083,541 6.5,542 0.099,543 2.667,544 1.944,545 0.957,546 0.882,547 0.411,548 0.346,549 0.213,550 0.091,551 3410,552 14049,553 1.899,554 39.4,556 4,559 3,560 6,564 1.615,565 1.702,566 3.081,567 1.251,569 1,571 1,573 63.83,574 1.934,575 3.824,576 4.09,577 4.393,578 4.393,579 4.393,580 2.461,581 3.684,582 4.289,583 3.263,584 619.965,585 7.32,586 6360.73,587 1,588 1,591 166.465,592 1.788,593 4.189,594 0.31,595 0.02,596 0.086,597 0.069,598 0.037,599 0.044,600 0.026,601 0.022,602 0.014,603 0.015,604 0.643,605 0.5,606 1,607 1.285,608 88.848,609 0.014,610 0.001,611 0.163,612 0.008,613 -0.198,614 0.082,615 0.39,616 0.052,617 0.145,618 0.059,619 0.354,620 0.136,621 -0.366,622 0.103,623 -0.212,624 0.077,625 -0.224,626 -0.052,627 -0.077,628 -0.236,629 -0.257,630 -0.255,631 -0.032,632 -0.238,633 -0.241,634 -0.021,635 -0.288,636 -0.133,637 -0.156,638 -0.18,639 0.078,640 -0.073,641 0.264,642 0.079,643 0.073,644 0.03,645 0.005,646 -0.237,647 0.213,648 -0.103,649 -0.085,650 -0.032,651 0.146,652 -0.253,653 -0.076,654 -0.276,655 0.101,656 -0.083,657 4.608,658 4.194,659 0.55,660 16.39,661 1.026,662 1.122,663 1.06,664 1.123,665 0.712,666 3.091,667 3.466,668 3.611,669 3.829,670 3.932,671 4.06,672 4.174,673 4.043,674 3.97,675 3.97,676 5.304,677 0.673,678 311.42,679 3.091,680 4.654,681 5.476,682 6.372,683 7.219,684 8.114,685 8.972,686 9.866,687 10.731,688 11.624,689 9.1,693 1,696 1,699 1,704 4,705 1,708 1,709 5,711 11,731 33,733 14,734 1,735 21,737 34,738 12,739 9,740 2,741 4,746 2,747 2,752 2,761 10,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 13,782 6,783 3,784 8,785 2,790 3,794 1,795 3,811 1,812 1,826 1,840 2,842 2,844 2,848 20,849 1,852 1,855 1,863 1,870 9.1,873 3,877 11.75,878 6.45,879 4.222,880 1.683,881 2.322,882 1.369,883 0.981,884 4.111,885 8.615,886 3.418,887 4.09,888 4.523,889 5.09,890 5.495,891 5.859,892 6.315,893 6.479,894 6.751,895 7,896 0.833,897 28,898 7.556,900 3.408,901 8.263,902 13.517,904 10.918,905 2.763,906 55.25,910 117.711,911 106.697,912 66.088,914 69.458,916 37.085,917 69.612,918 187.169,919 66.088,920 17.65,921 18.011,922 75.004,923 90.948,924 7.994,925 1.358,926 148.989,928 117.711,929 135.7,930 69.458,931 37.085,933 117.711,934 69.458,937 38.919,938 79.996,939 22.593,940 31.278,941 117.711,942 135.546,943 106.697,945 5.807,946 117.711,947 45.335,948 55.555,949 18.011,950 117.535,951 117.711,952 135.546,953 106.697,955 0.603,956 0.314,957 0.156,958 0.079,959 15,960 8,961 0.088,962 3,964 1,965 3.103,966 143.855,968 11,969 80.439,970 1,973 1,974 14.944,975 5.502,976 3.566,978 135.546,979 6.222,980 4.242,983 1.331,984 3.034,986 49.302,987 359.954,988 29.5,991 -3.692,993 33.387,997 -0.185,999 33.858,1000 37.039,1001 0.383,1002 0.758,1003 0.811,1004 0.871,1005 0.871,1006 0.871,1007 4.67,1008 0.909,1009 5.549,1010 2.668,1011 4.143,1012 4.775,1013 1.953,1014 6.412,1015 4.01,1016 5.959,1017 -0.263,1018 7.16,1019 2.275,1020 4.111,1021 5.027,1022 1.593,1023 7.662,1024 3.898,1025 7.337,1026 -0.379,1027 8.883,1028 -0.701,1029 5.861,1030 7.141,1031 2.904,1032 10.625,1033 5.563,1034 8.754,1035 -0.798,1036 10.67,1037 -0.957,1038 6.553,1039 8.141,1040 3.032,1041 12.635,1042 6.147,1043 10.202,1044 -1,1045 12.5,1046 -1.972,1047 7.913,1048 9.853,1049 4.037,1050 15.223,1051 7.431,1052 11.672,1053 -1,1054 14.358,1055 -2,1056 8.893,1057 11.155,1058 4.409,1059 17.502,1060 8.293,1061 13.16,1062 -1,1063 16.238,1064 -3,1065 10.126,1066 12.736,1067 5.25,1068 19.98,1069 9.448,1070 3.317,1071 -1,1072 18.133,1073 -3,1074 11.222,1075 14.162,1076 5.75,1077 22.356,1078 10.43,1079 3.06,1080 11.659,1081 20.04,1082 -3,1083 12.414,1084 15.7,1085 6.501,1086 24.802,1087 11.537,1088 2.455,1089 10.158,1090 21.956,1091 4.662,1092 13.557,1093 17.179,1094 7.068,1095 27.215,1096 12.573,1097 2.116,1098 7.2,1099 23.878,1100 4.127,1101 14.737,1102 18.704,1103 7.771,1104 29.654,1105 13.663,1106 1.702,1107 5.687,1108 25.806,1109 3.315,1110 15.902,1111 20.207,1112 8.374,1113 32.084,1114 14.724,1115 1.534,1116 4.693,1117 27.739,1118 2.779,1119 17.08,1120 21.73,1121 9.051,1122 34.523,1123 15.81,1124 1,1125 4.154,1126 29.675,1127 2.378,1128 18.254,1129 23.246,1130 9.674,1131 36.961,1132 16.884,1133 3575,1134 7376,1135 12.83,1136 23.483,1137 32.656,1138 33.576,1139 33.307,1140 32.164,1141 32.184,1142 44.295,1143 4.112,1144 96.989,1145 30.176,1146 5.54,1147 6.661,1148 6.526,1149 5.357,1150 5.317,1151 7.662,1152 3.306,1153 18.614,1154 5.012,1155 13.434,1156 1.555,1157 1.599,1158 1.586,1159 1.532,1160 1.533,1161 2.109,1162 0.196,1163 4.619,1164 1.437,1165 4.081,1166 4.068,1167 4.729,1168 4.078,1169 7.726,1170 4.003,1171 3.867,1172 3.864,1173 4.253,1174 3.854,1175 7.43,1176 3.757,1177 3.589,1178 3.608,1179 3.634,1180 3.463,1181 6.999,1182 3.413,1183 3.464,1184 3.499,1185 3.417,1186 3.272,1187 4.876,1188 3.277,1189 3.019,1190 3.112,1191 2.996,1192 2.893,1193 4.811,1194 2.815,1195 2.854,1196 2.925,1197 2.687,1198 2.735,1199 4.588,1200 2.715,1201 2.717,1202 2.81,1203 2.598,1204 2.535,1205 3.948,1206 2.532,1207 2.525,1208 2.636,1209 2.352,1210 2.217,1211 3.674,1212 2.205,1213 0.229,1214 0.222,1215 0.339,1216 0.202,1217 0.158,1218 4.802,1219 0.222,1220 4.661,1221 0.091,1222 7.111,1223 0.555,1224 4.233,1225 0.143,1226 3.317,1227 4.662,1228 1.907,1229 11.659,1230 3.012,1231 1.969,1232 1.976,1233 1.992,1234 2.021,1235 1.184,1236 2.062,1237 1.574,1238 1.593,1239 1.737,1240 1.789,1241 0.84,1242 1.772,1243 1.525,1244 1.478,1245 1.697,1246 1.701,1247 0.739,1248 1.739,1249 1.358,1250 1.326,1251 1.27,1252 1.569,1253 0.556,1254 1.601,1255 1.12,1256 1.106,1257 1.181,1258 1.271,1259 0.326,1260 1.314,1261 0.886,1262 0.821,1263 1.175,1264 1.062,1265 0.218,1266 1.107,1267 0.759,1268 0.673,1269 1.011,1270 0.986,1271 0.041,1272 1.024,1273 0.402,1274 0.319,1275 0.662,1276 0.788,1278 0.792,1279 3.761,1281 5.118,1282 2.398,1283 6.637,1284 4.727,1285 8.23,1286 6.804,1287 9.863,1289 3.238,1293 5.049,1296 2.624,1305 22.217,1306 63.83,1307 126.2,1308 134.955,1309 144.955,1310 144.955,1311 144.955,1312 43.359,1313 6.293,1314 102.15,1315 138.77,1316 11,1317 12.157,1318 3.907,1319 3.248,1320 36.542,1321 63,1322 57,1323 0.296,1324 148.161,1325 250.19,1326 353.272,1327 3479,1329 14.914,1330 0.746,1331 0.625,1332 15.517,1333 12.508,1334 9.27,1335 0.441,1336 0.382,1337 5.78,1338 7.726,1339 5.352,1340 4.482,1341 10.572,1342 8.017,1343 9.586,1344 0.309,1345 0.218,1346 11.615,1347 6.745,1348 6.448,1349 0.179,1350 0.127,1351 8.042,1352 4.576,1353 5.344,1354 0.119,1355 0.071,1356 6.825,1357 3.198,1358 3.684,1359 0.074,1360 0.038,1361 4.733,1362 1.915,1363 0.459,1364 71.289,1365 0.279,1366 19.892,1367 0.826,1368 104,1369 372.218,1370 175.654,1371 401.123,1372 527.51,1373 364,1374 119,1375 336.778,1376 191.598,1377 392.48,1378 563.34,1379 364,1380 6.959}
{0 CHEMBL2071327,1 1.847,2 8.65,3 1.566,4 2.452,5 79.126,6 9.13,7 0.524,8 3.623,9 3.702,10 3.583,11 3.304,12 4.748,13 3.211,14 4.138,15 4.269,16 3.889,17 3.636,18 5.567,19 3.55,20 4.286,21 4.419,22 3.813,23 3.706,24 5.616,25 3.599,26 4.281,27 4.421,28 3.768,29 3.705,30 5.565,31 3.561,32 4.245,33 4.442,34 3.421,35 3.523,36 5.384,37 3.385,38 4.083,39 4.325,40 3.372,41 3.344,42 5.081,43 3.173,44 3.927,45 4.101,46 3.494,47 3.231,48 5.183,49 3.105,50 3.931,51 4.117,52 3.187,53 3.09,54 5.337,55 2.982,56 0.09,57 0.509,58 7.501,59 3.825,60 14.654,61 3.754,62 0.311,63 0.818,64 16.474,65 6.387,66 48.45,67 6.757,68 0.414,69 0.895,70 17.906,71 6.99,72 65.845,73 6.343,74 0.301,75 0.907,76 22.075,77 8.311,78 39.238,79 8.129,80 0.323,81 0.857,82 19.855,83 6.869,84 43.353,85 7.308,86 0.205,87 0.704,88 17.196,89 6.153,90 27.6,91 7.19,92 0.243,93 0.596,94 13.715,95 5.115,96 33.353,97 5.245,98 0.294,99 0.584,100 18.269,101 5.594,102 40.396,103 5.709,104 42,105 31,106 0.339,107 0.672,108 0.75,109 0.804,110 0.804,111 0.804,112 3.057,113 1.219,114 -3.33,115 -3.32,116 -3.18,119 38.2,120 2,124 1,142 4,143 1,144 1,146 1,152 1,158 1,162 1,172 4,174 1,175 3,178 2,180 2,183 5,187 5,195 6,198 1,199 8,204 2,207 5,212 4,217 2,220 2,224 2,229 2,232 2,237 4,245 2,249 2,250 4,258 2,266 2,275 478,276 12.488,277 12.488,278 12.488,279 12.488,280 12.488,281 10.673,282 12.417,283 7.13,284 12.996,285 10.362,286 10.362,287 10.362,288 10.362,289 10.362,290 7.557,291 15.631,292 3.387,293 11.27,294 3.24,295 1.427,296 1.008,297 0.714,298 0.714,299 0.714,300 3.703,303 1,304 1,305 1,306 349,307 3.536,310 59.989,311 67.097,318 1.515,319 28.513,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 44,331 173,332 4.802,333 5.18,334 7.111,335 4.186,336 3.317,337 4.662,338 2.95,339 11.659,340 2.906,341 4.431,342 3.537,343 6.498,344 3.978,345 3.06,346 4.127,347 1.907,348 10.158,349 2.762,350 3.816,351 3.115,352 5.447,353 3.402,354 2.455,355 3.315,356 0.149,357 7.2,358 2.317,359 3.533,360 2.662,361 4.983,362 3.108,363 2.116,364 2.779,366 5.687,367 2.08,368 3.168,369 2.321,370 4.597,371 2.657,372 1.702,373 2.378,375 4.693,376 1.6,377 2.942,378 1.983,379 4.332,380 2.478,381 1.534,382 2.073,384 4.154,385 1.425,386 2.5,387 1.184,388 3.891,389 2,390 1,391 1.5,393 2.668,394 1,395 2.374,396 1,397 3.414,398 1.775,399 0.909,400 1.312,402 2.275,403 0.767,404 1.049,405 0.707,406 2.831,407 0.674,408 -0.263,409 -0.307,411 -0.701,412 -0.241,413 1,414 0.566,415 2.529,416 0.553,417 -0.379,418 -0.485,420 -0.957,421 -0.348,422 0.98,423 -0.005,424 2.368,425 0.139,426 -0.798,427 -0.972,428 -1.972,429 -0.709,430 0.517,431 -0.059,432 2,433 0.091,434 -1,435 -1.226,436 -2,437 -0.788,438 0.5,439 -0.363,440 2,442 -1,443 -1.353,445 -3,446 -1,447 0.387,448 -0.892,449 2,451 -1,452 -1.5,454 -3,455 -1,456 0.294,457 -1,458 1.703,459 -0.202,460 -1,461 -1.732,463 -3,464 -1.089,465 9.967,466 0.498,467 0.816,468 0.041,469 27.25,470 1.363,471 15,472 0.75,473 12.25,474 0.613,475 15.06,476 0.753,477 21.833,478 0.642,479 18.222,480 0.911,481 5.076,482 0.254,483 4.194,484 0.21,485 0.251,486 0.084,487 0.301,493 0.506,494 1.18,495 0.809,496 1.074,497 0.64,498 0.902,499 0.524,500 1.052,501 0.885,502 1.017,503 0.516,504 0.805,505 1.528,506 0.877,507 1.18,508 0.881,509 1.418,510 0.941,511 0.845,512 1.287,513 1.355,514 1.391,515 0.815,516 1.251,517 0.988,518 1.048,519 1.151,520 1.051,521 0.832,522 1.126,523 0.522,524 0.917,525 0.499,526 0.701,527 0.435,528 0.948,529 0.991,530 1.067,531 0.821,532 1.044,533 1.093,534 1.005,535 0.97,536 1.203,537 1.265,538 1.354,539 1.035,540 1.111,541 6.5,542 0.099,543 2.667,544 1.944,545 0.957,546 0.882,547 0.411,548 0.346,549 0.213,550 0.091,551 3410,552 13195,553 1.899,554 41.2,556 7,559 1,560 6,564 1.615,565 1.702,566 3.081,567 -0.173,569 1,571 1,573 62.81,574 1.847,575 3.66,576 4.08,577 4.374,578 4.374,579 4.374,580 2.461,581 3.684,582 4.289,583 3.263,584 619.965,585 7.32,586 6360.73,587 1,588 1,590 1,591 172.974,592 1.788,593 4.189,594 0.31,595 0.02,596 0.086,597 0.069,598 0.037,599 0.044,600 0.026,601 0.022,602 0.014,603 0.015,604 0.643,605 0.5,606 1,607 1.285,608 88.848,609 0.061,610 -0.051,611 0.169,612 0.006,613 -0.142,614 0.043,615 0.277,616 0.005,617 0.129,618 0.031,619 0.255,620 0.161,621 -0.402,622 0.174,623 -0.223,624 0.104,625 -0.27,626 -0.044,627 -0.039,628 -0.262,629 -0.246,630 -0.271,631 -0.013,632 -0.255,633 -0.19,634 -0.043,635 -0.247,636 -0.136,637 -0.123,638 -0.17,639 0.074,640 -0.018,641 0.264,642 0.104,643 0.069,644 0.061,645 -0.003,646 -0.118,647 0.186,648 -0.044,649 -0.079,650 -0.019,651 0.12,652 -0.259,653 -0.149,654 -0.295,655 0.1,656 -0.107,657 4.108,658 4.416,659 0.55,660 16.39,661 1.019,662 1.116,663 2.103,664 4.424,665 0.713,666 3.091,667 3.466,668 3.611,669 3.829,670 3.932,671 4.06,672 4.174,673 4.043,674 3.97,675 3.97,676 5.304,677 0.668,678 310.43,679 3.091,680 4.654,681 5.476,682 6.372,683 7.219,684 8.114,685 8.972,686 9.866,687 10.731,688 11.624,689 5.9,696 1,699 1,704 4,705 1,708 1,709 5,711 11,731 34,733 14,734 1,735 21,737 35,738 13,739 9,740 2,741 4,746 2,747 2,752 2,761 10,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 14,782 5,783 1,784 7,785 2,790 2,794 1,795 3,811 1,812 1,826 1,840 2,842 2,844 3,848 20,851 1,855 1,863 1,870 8.8,873 3,877 11.75,878 7.117,879 4.222,880 1.794,881 2.322,882 1.369,883 0.97,884 4.14,885 8.615,886 3.418,887 4.09,888 4.523,889 5.09,890 5.495,891 5.859,892 6.315,893 6.479,894 6.751,895 7,896 0.833,897 28,898 7.519,900 3.325,901 8.163,902 13.724,904 11.135,905 2.663,906 53.25,910 153.024,911 114.126,912 34.796,914 69.458,916 37.324,917 76.803,918 222.482,919 34.796,920 24.841,921 18.011,922 43.951,923 90.948,924 7.994,925 1.358,926 184.302,928 153.024,929 111.599,930 69.458,931 37.324,933 153.024,934 69.458,937 38.919,938 55.895,939 22.831,940 31.278,941 153.024,942 104.254,943 114.126,945 6.046,946 153.024,947 45.335,948 62.746,949 18.011,950 86.243,951 153.024,952 104.254,953 114.126,955 0.603,956 0.314,957 0.156,958 0.079,959 15,960 8,961 0.086,962 3,964 1,965 3.103,966 143.855,968 11,969 80.439,970 1,973 1,974 14.982,975 5.526,976 3.584,978 104.254,979 6.632,980 4.267,983 1.362,984 3.409,986 18.011,987 371.405,988 29.5,991 -3.192,993 33.846,997 -0.169,999 34.64,1000 37.956,1001 0.363,1002 0.719,1003 0.802,1004 0.86,1005 0.86,1006 0.86,1007 4.67,1008 0.909,1009 5.549,1010 2.668,1011 4.143,1012 4.775,1013 3.197,1014 6.412,1015 3.98,1016 5.959,1017 -0.263,1018 7.16,1019 2.275,1020 4.111,1021 5.027,1022 1.593,1023 7.662,1024 3.806,1025 7.337,1026 -0.379,1027 8.883,1028 -0.701,1029 5.861,1030 7.141,1031 5.134,1032 10.625,1033 5.488,1034 8.754,1035 -0.798,1036 10.67,1037 -0.957,1038 6.553,1039 8.141,1040 3.032,1041 12.635,1042 6.001,1043 10.202,1044 -1,1045 12.5,1046 -1.972,1047 7.913,1048 9.853,1049 7.226,1050 15.223,1051 7.291,1052 11.672,1053 -1,1054 14.358,1055 -2,1056 8.893,1057 11.155,1058 4.409,1059 17.502,1060 8.09,1061 13.16,1062 -1,1063 16.238,1064 -3,1065 10.126,1066 12.736,1067 9.364,1068 19.98,1069 9.235,1070 3.317,1071 -1,1072 18.133,1073 -3,1074 11.222,1075 14.162,1076 5.75,1077 22.356,1078 10.162,1079 3.06,1080 11.659,1081 20.04,1082 -3,1083 12.414,1084 15.7,1085 11.518,1086 24.802,1087 11.249,1088 2.455,1089 10.158,1090 21.956,1091 4.662,1092 13.557,1093 17.179,1094 7.068,1095 27.215,1096 12.238,1097 2.116,1098 7.2,1099 23.878,1100 4.127,1101 14.737,1102 18.704,1103 13.678,1104 29.654,1105 13.301,1106 1.702,1107 5.687,1108 25.806,1109 3.315,1110 15.902,1111 20.207,1112 8.374,1113 32.084,1114 14.32,1115 1.534,1116 4.693,1117 27.739,1118 2.779,1119 17.08,1120 21.73,1121 15.84,1122 34.523,1123 15.374,1124 1,1125 4.154,1126 29.675,1127 2.378,1128 18.254,1129 23.246,1130 9.674,1131 36.961,1132 16.409,1133 3575,1134 7142,1135 12.83,1136 24.239,1137 32.656,1138 34.545,1139 33.307,1140 32.236,1141 32.184,1142 44.295,1143 10.012,1144 96.989,1145 29.714,1146 5.54,1147 7.18,1148 6.526,1149 5.311,1150 5.317,1151 7.662,1152 5.9,1153 18.614,1154 4.906,1155 13.434,1156 1.555,1157 1.645,1158 1.586,1159 1.535,1160 1.533,1161 2.109,1162 0.477,1163 4.619,1164 1.415,1165 4.092,1166 4.073,1167 4.735,1168 4.109,1169 7.716,1170 4.019,1171 3.876,1172 3.871,1173 4.253,1174 3.875,1175 7.43,1176 3.777,1177 3.602,1178 3.621,1179 3.636,1180 3.499,1181 6.999,1182 3.451,1183 3.47,1184 3.51,1185 3.417,1186 3.275,1187 4.866,1188 3.285,1189 3.02,1190 3.112,1191 2.996,1192 2.894,1193 4.603,1194 2.815,1195 2.854,1196 2.925,1197 2.687,1198 2.735,1199 3.949,1200 2.715,1201 2.775,1202 2.864,1203 2.608,1204 2.606,1205 3.678,1206 2.593,1207 2.618,1208 2.704,1209 2.399,1210 2.319,1211 3.674,1212 2.286,1213 0.229,1214 0.247,1215 0.339,1216 0.199,1217 0.158,1218 4.802,1219 0.222,1220 5.18,1221 0.14,1222 7.111,1223 0.555,1224 4.186,1225 0.138,1226 3.317,1227 4.662,1228 2.95,1229 11.659,1230 2.906,1231 1.985,1232 1.998,1233 1.996,1234 2.026,1235 1.233,1236 2.076,1237 1.626,1238 1.646,1239 1.738,1240 1.79,1241 0.931,1242 1.784,1243 1.526,1244 1.478,1245 1.701,1246 1.721,1247 0.747,1248 1.764,1249 1.402,1250 1.357,1251 1.578,1252 1.589,1253 0.73,1254 1.625,1255 1.134,1256 1.115,1257 1.181,1258 1.273,1259 0.421,1260 1.319,1261 0.886,1262 0.821,1263 1.177,1264 1.062,1265 0.218,1266 1.107,1267 0.817,1268 0.727,1269 1.053,1270 1.042,1271 0.186,1272 1.089,1273 0.56,1274 0.497,1275 0.667,1276 0.837,1278 0.872,1279 3.761,1281 5.118,1282 2.398,1283 6.637,1284 4.727,1285 8.23,1286 6.804,1287 9.863,1289 4.452,1296 2.644,1305 22.722,1306 62.81,1307 124.444,1308 138.709,1309 148.709,1310 148.709,1311 148.709,1312 44.746,1313 6.293,1314 76.13,1315 112.75,1316 11,1317 12.157,1318 3.907,1319 3.248,1320 36.542,1321 63,1322 57,1323 0.296,1324 150.959,1325 256.49,1326 360.1,1327 3479,1329 14.914,1330 0.746,1331 0.647,1332 15.517,1333 12.931,1334 9.27,1335 0.441,1336 0.406,1337 5.992,1338 7.745,1339 5.462,1340 4.585,1341 10.572,1342 8.535,1343 9.586,1344 0.309,1345 0.24,1346 11.615,1347 7.426,1348 6.448,1349 0.179,1350 0.135,1351 8.042,1352 4.875,1353 5.344,1354 0.119,1355 0.075,1356 6.825,1357 3.37,1358 3.684,1359 0.074,1360 0.04,1361 4.733,1362 2.002,1363 0.459,1364 71.039,1365 0.279,1366 19.892,1367 0.826,1368 104,1369 362.905,1370 174.073,1371 390.376,1372 513.99,1373 356,1374 119,1375 327.174,1376 189.486,1377 379.85,1378 543.54,1379 352,1380 6.699}
{0 CHEMBL2071328,1 2,2 8.667,3 2.23,4 4.975,5 83.931,6 10.143,7 0.5,8 3.632,9 3.701,10 3.66,11 3.335,12 4.779,13 3.244,14 4.148,15 4.267,16 4,17 3.681,18 5.603,19 3.596,20 4.304,21 4.416,22 4.076,23 3.788,24 5.653,25 3.674,26 4.311,27 4.416,28 4.09,29 3.792,30 5.778,31 3.665,32 4.271,33 4.437,34 3.74,35 3.623,36 5.476,37 3.472,38 4.1,39 4.323,40 3.644,41 3.42,42 5.192,43 3.265,44 3.952,45 4.097,46 3.611,47 3.289,48 5.27,49 3.16,50 3.944,51 4.115,52 3.308,53 3.143,54 5.363,55 3.034,56 0.113,57 0.498,58 5.424,59 3.642,60 17.653,61 3.395,62 0.357,63 0.803,64 15.356,65 6.402,66 53.976,67 6.482,68 0.512,69 0.866,70 19.251,71 7.185,72 79.365,73 5.746,74 0.473,75 0.871,76 23.252,77 8.534,78 58.529,79 7.751,80 0.453,81 0.822,82 25.688,83 7.386,84 54.868,85 6.978,86 0.3,87 0.684,88 17.582,89 6.347,90 36.342,91 7.166,92 0.347,93 0.573,94 15.674,95 5.358,96 43.345,97 5.053,98 0.354,99 0.577,100 19.849,101 5.943,102 48.386,103 5.712,104 55,105 33,106 0.367,107 0.708,108 0.789,109 0.847,110 0.847,111 0.847,112 3.103,113 1.23,114 -3.86,115 -3.82,116 -3.63,119 38.2,120 2,124 1,142 3,143 1,144 2,146 1,152 1,158 1,162 1,172 3,174 1,175 3,178 2,180 2,183 4,187 3,195 7,198 1,199 10,204 2,207 5,212 3,217 2,220 2,224 3,229 1,232 3,237 4,242 1,245 2,249 2,250 3,258 1,263 1,266 2,271 1,275 542,276 12.988,277 12.988,278 12.988,279 12.988,280 12.988,281 11.12,282 13.106,283 7.354,284 13.601,285 10.85,286 10.85,287 10.85,288 10.85,289 10.85,290 7.955,291 15.878,292 3.492,293 11.986,294 3.087,295 1.236,296 0.795,297 0.478,298 0.478,299 0.478,300 3.748,301 1,303 1,304 1,305 1,306 366,307 3.606,310 62.989,311 70.963,318 1.46,319 32.924,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 46.333,331 182,332 4.844,333 5.193,334 7.236,335 4.245,336 3.377,337 4.709,338 2.95,339 12.157,340 2.936,341 4.436,342 3.537,343 6.504,344 3.979,345 3.061,346 4.135,347 1.907,348 10.187,349 2.769,350 3.913,351 3.176,352 5.552,353 3.431,354 2.502,355 3.477,356 0.149,357 7.411,358 2.323,359 3.611,360 2.989,361 5.319,362 3.194,363 2.244,364 2.863,366 6.561,367 2.112,368 3.306,369 2.322,370 4.884,371 2.826,372 1.891,373 2.537,375 5.259,376 1.697,377 2.98,378 2.176,379 4.334,380 2.529,381 1.598,382 2.119,384 4.177,385 1.45,386 2.748,387 1.956,388 4.047,389 2.234,390 1.283,391 1.847,393 3.293,394 1.179,395 2.375,396 1.145,397 3.896,398 1.775,399 0.909,400 1.313,402 2.704,403 0.768,404 1.198,405 0.782,406 2.952,407 0.7,408 -0.142,409 -0.178,411 -0.357,412 -0.099,413 1.024,414 0.576,415 2.579,416 0.663,417 -0.275,418 -0.32,420 -0.727,421 -0.252,422 1,423 0.228,424 2.507,425 0.322,426 -0.544,427 -0.666,428 -1.441,429 -0.44,430 0.773,431 -0.007,432 2.221,433 0.114,434 -0.84,435 -1.06,436 -2,437 -0.74,438 0.515,439 -0.168,440 2,441 0.087,442 -1,443 -1.226,445 -2.236,446 -0.792,447 0.389,448 -0.376,449 2,451 -1,452 -1.357,454 -3,455 -1,456 0.295,457 -0.893,458 1.827,459 -0.202,460 -1,461 -1.695,463 -3,464 -1.088,465 10.681,466 0.509,467 0.905,468 0.043,469 28,470 1.333,471 15,472 0.714,473 13,474 0.619,475 17.452,476 0.831,477 22.919,478 0.674,479 19.122,480 0.911,481 5.164,482 0.246,483 4.516,484 0.215,485 0.301,486 0.078,487 0.328,493 0.517,494 1.177,495 0.712,496 1.008,497 0.642,498 0.844,499 0.546,500 1.044,501 0.785,502 0.948,503 0.52,504 0.736,505 1.494,506 0.854,507 1.03,508 0.783,509 1.458,510 0.872,511 0.761,512 1.281,513 1.307,514 1.398,515 0.697,516 1.194,517 1.142,518 1.045,519 1.276,520 1.081,521 0.929,522 1.206,523 0.522,524 0.915,525 0.508,526 0.659,527 0.434,528 0.871,529 1.085,530 1.101,531 1.113,532 1.195,533 1.157,534 1.16,535 0.989,536 1.21,537 1.198,538 1.343,539 1.065,540 1.125,541 7,542 0.099,543 2.889,544 2.507,545 1.148,546 0.969,547 0.508,548 0.346,549 0.262,550 0.091,551 3745,552 16076,553 1.878,554 38.2,556 6,559 1,560 6,564 1.632,565 1.669,566 3.079,567 -0.151,569 1,571 1,573 68.007,574 2,575 3.851,576 4.293,577 4.609,578 4.609,579 4.609,580 2.489,581 3.88,582 4.36,583 3.261,584 684.834,585 7.473,586 7203.8,587 1,588 1,590 1,591 172.974,592 1.782,593 4.248,594 0.318,595 0.02,596 0.088,597 0.081,598 0.037,599 0.044,600 0.027,601 0.02,602 0.016,603 0.011,604 0.662,605 0.5,606 1,607 1.27,608 94.456,609 0.04,610 -0.05,611 0.103,612 -0.005,613 -0.138,614 0.039,615 0.228,616 0.016,617 0.108,618 0.061,619 0.248,620 0.204,621 -0.409,622 0.195,623 -0.1,624 0.187,625 -0.329,626 0.002,627 0.119,628 -0.268,629 -0.162,630 -0.296,631 0.133,632 -0.222,633 -0.27,634 -0.047,635 -0.258,636 -0.151,637 -0.192,638 -0.255,639 0.136,640 -0.012,641 0.317,642 0.164,643 0.104,644 0.161,645 -0.057,646 -0.16,647 -0.041,648 -0.191,649 -0.133,650 -0.182,651 0.056,652 -0.259,653 -0.163,654 -0.286,655 0.052,656 -0.107,657 4.271,658 4.552,659 0.524,660 16.848,661 1.028,662 1.115,663 2.635,664 6.943,665 0.738,666 3.135,667 3.526,668 3.689,669 3.951,670 4.007,671 4.159,672 4.263,673 4.205,674 4.094,675 4.078,676 5.298,677 0.693,678 344.87,679 3.135,680 4.71,681 5.541,682 6.45,683 7.305,684 8.215,685 9.079,686 9.988,687 10.859,688 11.767,689 5.9,696 1,699 1,704 3,705 1,708 1,709 6,711 11,730 1,731 34,733 14,734 1,735 22,737 35,738 13,739 9,740 3,741 3,746 2,747 2,748 1,752 2,761 10,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 13,782 5,783 1,784 8,785 3,790 2,794 1,795 3,811 1,812 1,826 1,840 2,842 2,844 3,845 1,848 21,851 1,855 1,863 1,869 1,870 8.8,873 3,877 12.583,878 7.176,879 4.417,880 1.782,881 2.313,882 1.362,883 0.968,884 4.589,885 8.708,886 3.45,887 4.139,888 4.586,889 5.187,890 5.562,891 5.951,892 6.39,893 6.627,894 6.841,895 7.089,896 0.833,897 31,898 7.91,900 3.545,901 8.216,902 14.285,904 11.617,905 2.716,906 57.028,910 141.253,911 108.151,912 34.796,913 39.149,914 69.458,916 37.324,917 70.827,918 249.86,919 34.796,920 24.841,921 18.011,922 34.475,923 90.948,924 11.494,925 1.358,926 172.531,927 39.149,928 141.253,929 105.623,930 69.458,931 76.472,933 141.253,934 69.458,937 38.919,938 49.919,939 61.98,940 31.278,941 141.253,942 104.254,943 147.299,945 6.046,946 141.253,947 48.835,948 53.27,949 18.011,950 125.392,951 141.253,952 104.254,953 147.299,955 0.606,956 0.32,957 0.169,958 0.079,959 16,960 9,961 0.086,962 3,964 1,965 3.13,966 156.684,968 11,969 90.239,970 1,973 1,974 16.244,975 5.933,976 3.745,978 104.254,979 4.751,980 4.253,983 1.312,984 3.103,986 18.011,987 392.807,988 30.5,991 -3.354,993 34.151,997 -0.194,999 34.964,1000 37.9,1001 0.393,1002 0.757,1003 0.844,1004 0.906,1005 0.906,1006 0.906,1007 4.716,1008 0.909,1009 5.624,1010 3.293,1011 4.205,1012 4.824,1013 3.197,1014 6.509,1015 4.009,1016 6.014,1017 -0.142,1018 7.248,1019 2.704,1020 4.205,1021 5.112,1022 1.593,1023 7.766,1024 3.858,1025 7.4,1026 -0.275,1027 8.981,1028 -0.357,1029 5.938,1030 7.203,1031 5.134,1032 10.771,1033 5.524,1034 8.822,1035 -0.544,1036 10.777,1037 -0.727,1038 6.648,1039 8.221,1040 3.032,1041 12.79,1042 6.051,1043 10.274,1044 -0.84,1045 12.614,1046 -1.441,1047 8.003,1048 9.924,1049 7.226,1050 15.424,1051 7.335,1052 11.748,1053 -1,1054 14.481,1055 -2,1056 8.999,1057 11.238,1058 4.409,1059 17.728,1060 8.146,1061 13.239,1062 -1,1063 16.369,1064 -2.236,1065 10.235,1066 12.817,1067 9.364,1068 20.251,1069 9.291,1070 3.377,1071 -1,1072 18.273,1073 -3,1074 11.347,1075 14.253,1076 5.75,1077 22.663,1078 10.23,1079 3.061,1080 12.157,1081 20.191,1082 -3,1083 12.549,1084 15.794,1085 11.518,1086 25.155,1087 11.32,1088 2.502,1089 10.187,1090 22.119,1091 4.709,1092 13.709,1093 17.283,1094 7.068,1095 27.61,1096 12.319,1097 2.244,1098 7.411,1099 24.055,1100 4.135,1101 14.903,1102 18.814,1103 13.678,1104 30.095,1105 13.389,1106 1.891,1107 6.561,1108 25.997,1109 3.477,1110 16.084,1111 20.327,1112 8.374,1113 32.568,1114 14.418,1115 1.598,1116 5.259,1117 27.945,1118 2.863,1119 17.279,1120 21.859,1121 15.84,1122 35.054,1123 15.48,1124 1.283,1125 4.177,1126 29.897,1127 2.537,1128 18.471,1129 23.384,1130 9.674,1131 37.537,1132 16.524,1133 3942,1134 8287,1135 13.235,1136 25.097,1137 34.244,1138 36.774,1139 35.544,1140 33.88,1141 33.729,1142 46.001,1143 10.012,1144 103.498,1145 30.467,1146 5.582,1147 7.193,1148 6.485,1149 5.371,1150 5.377,1151 7.709,1152 5.9,1153 19.627,1154 4.936,1155 14.813,1156 1.557,1157 1.672,1158 1.616,1159 1.54,1160 1.533,1161 2.091,1162 0.455,1163 4.704,1164 1.385,1165 4.096,1166 4.073,1167 4.743,1168 4.117,1169 7.716,1170 4.027,1171 3.876,1172 3.871,1173 4.256,1174 3.875,1175 7.43,1176 3.778,1177 3.605,1178 3.621,1179 3.842,1180 3.51,1181 6.999,1182 3.458,1183 3.472,1184 3.509,1185 3.438,1186 3.276,1187 4.932,1188 3.287,1189 3.02,1190 3.112,1191 3.252,1192 2.894,1193 4.774,1194 2.816,1195 2.879,1196 2.922,1197 2.996,1198 2.798,1199 4.283,1200 2.77,1201 2.779,1202 2.863,1203 2.628,1204 2.619,1205 3.946,1206 2.605,1207 2.62,1208 2.704,1209 2.404,1210 2.323,1211 3.678,1212 2.288,1213 0.22,1214 0.236,1215 0.329,1216 0.193,1217 0.153,1218 4.844,1219 0.214,1220 5.193,1221 0.134,1222 7.236,1223 0.553,1224 4.245,1225 0.133,1226 3.377,1227 4.709,1228 2.95,1229 12.157,1230 2.936,1231 1.981,1232 1.999,1233 1.961,1234 2.013,1235 1.235,1236 2.064,1237 1.626,1238 1.646,1239 1.737,1240 1.79,1241 0.931,1242 1.783,1243 1.526,1244 1.478,1245 1.698,1246 1.721,1247 0.746,1248 1.763,1249 1.401,1250 1.358,1251 1.577,1252 1.585,1253 0.729,1254 1.62,1255 1.133,1256 1.116,1257 1.177,1258 1.271,1259 0.416,1260 1.317,1261 0.869,1262 0.824,1263 1.12,1264 1.046,1265 0.193,1266 1.092,1267 0.812,1268 0.728,1269 0.966,1270 1.002,1271 0.146,1272 1.046,1273 0.559,1274 0.498,1275 0.66,1276 0.827,1278 0.86,1279 3.807,1281 5.176,1282 2.398,1283 6.708,1284 4.727,1285 8.32,1286 6.804,1287 9.977,1289 4.338,1290 6.043,1296 2.626,1305 23.55,1306 68.007,1307 130.935,1308 145.954,1309 156.709,1310 156.709,1311 156.709,1312 52.672,1313 6.395,1314 76.13,1315 112.75,1316 11,1317 12.291,1318 3.907,1319 3.248,1320 39.32,1321 66,1322 63,1323 0.305,1324 159.292,1325 271.7,1326 380.432,1327 3886,1328 2.9,1329 15.784,1330 0.752,1331 0.666,1332 16.888,1333 13.987,1334 9.681,1335 0.44,1336 0.41,1337 6.127,1338 7.892,1339 5.563,1340 4.646,1341 11.272,1342 9.018,1343 10.131,1344 0.307,1345 0.24,1346 12.512,1347 7.923,1348 6.774,1349 0.174,1350 0.138,1351 8.743,1352 5.375,1353 6.043,1354 0.118,1355 0.081,1356 8.326,1357 4.149,1358 3.826,1359 0.071,1360 0.04,1361 5.096,1362 2.152,1363 0.468,1364 76.678,1365 0.275,1366 20.623,1367 0.861,1368 110,1369 397.109,1370 195.592,1371 452.478,1372 586.02,1373 412,1374 127,1375 355.037,1376 214.126,1377 417.551,1378 601.35,1379 387,1380 7.456}
{0 CHEMBL2071329,1 2,2 8.667,3 2.314,4 5.356,5 86.749,6 11.451,7 0.5,8 3.63,9 3.698,10 3.751,11 3.353,12 4.76,13 3.252,14 4.145,15 4.264,16 4.127,17 3.705,18 5.585,19 3.607,20 4.299,21 4.411,22 4.337,23 3.832,24 5.626,25 3.691,26 4.302,27 4.408,28 4.395,29 3.838,30 5.687,31 3.689,32 4.264,33 4.429,34 4.042,35 3.677,36 5.432,37 3.492,38 4.095,39 4.318,40 3.911,41 3.462,42 5.141,43 3.285,44 3.944,45 4.088,46 3.743,47 3.321,48 5.231,49 3.173,50 3.94,51 4.112,52 3.445,53 3.172,54 5.345,55 3.046,56 0.105,57 0.491,58 2.636,59 3.625,60 15.72,61 3.37,62 0.34,63 0.804,64 13.846,65 6.594,66 50.704,67 6.538,68 0.475,69 0.878,70 24.844,71 7.971,72 71.852,73 5.898,74 0.387,75 0.883,76 26.364,77 9.307,78 39.838,79 7.926,80 0.395,81 0.844,82 42.803,83 8.695,84 45.135,85 7.387,86 0.263,87 0.699,88 17.671,89 6.692,90 31.089,91 7.29,92 0.298,93 0.586,94 23.797,95 5.984,96 35.336,97 5.271,98 0.331,99 0.59,100 23.571,101 6.376,102 43.477,103 5.856,104 55,105 33,106 0.367,107 0.708,108 0.789,109 0.847,110 0.847,111 0.847,112 3.103,113 1.286,114 -3.99,115 -3.95,116 -3.74,117 1,119 38.2,120 2,124 1,142 3,143 1,144 2,146 1,152 1,158 1,162 1,172 3,174 1,175 3,178 2,180 2,183 4,187 3,195 7,198 1,199 10,204 2,207 5,212 3,217 2,220 2,224 3,229 1,232 3,237 4,242 1,245 2,249 2,250 3,258 1,263 1,266 2,271 1,275 542,276 12.988,277 12.988,278 12.988,279 12.988,280 12.988,281 11.12,282 13.132,283 7.354,284 13.624,285 10.85,286 10.85,287 10.85,288 10.85,289 10.85,290 7.955,291 15.897,292 3.492,293 12.034,294 3.087,295 1.236,296 0.795,297 0.478,298 0.478,299 0.478,300 3.748,303 1,304 1,305 1,306 366,307 3.606,310 62.989,311 70.963,318 1.46,319 30.478,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 45.75,331 182,332 4.844,333 5.192,334 7.236,335 4.244,336 3.377,337 4.709,338 2.95,339 12.157,340 2.927,341 4.436,342 3.537,343 6.504,344 3.978,345 3.061,346 4.135,347 1.907,348 10.187,349 2.767,350 3.913,351 3.168,352 5.552,353 3.429,354 2.502,355 3.477,356 0.149,357 7.411,358 2.321,359 3.611,360 2.975,361 5.319,362 3.19,363 2.244,364 2.863,366 6.561,367 2.103,368 3.306,369 2.322,370 4.884,371 2.819,372 1.891,373 2.537,375 5.259,376 1.67,377 2.98,378 2.154,379 4.334,380 2.528,381 1.598,382 2.119,384 4.177,385 1.445,386 2.748,387 1.952,388 4.047,389 2.229,390 1.283,391 1.847,393 3.293,394 1.151,395 2.375,396 1.145,397 3.896,398 1.775,399 0.909,400 1.313,402 2.704,403 0.768,404 1.198,405 0.781,406 2.952,407 0.692,408 -0.142,409 -0.178,411 -0.357,412 -0.087,413 1.024,414 0.575,415 2.579,416 0.659,417 -0.275,418 -0.32,420 -0.727,421 -0.25,422 1,423 0.212,424 2.507,425 0.309,426 -0.544,427 -0.666,428 -1.441,429 -0.42,430 0.773,431 -0.007,432 2.221,433 0.113,434 -0.84,435 -1.06,436 -2,437 -0.733,438 0.515,439 -0.175,440 2,441 0.086,442 -1,443 -1.226,445 -2.236,446 -0.791,447 0.389,448 -0.377,449 2,451 -1,452 -1.357,454 -3,455 -1,456 0.295,457 -0.893,458 1.827,459 -0.202,460 -1,461 -1.695,463 -3,464 -1.083,465 11.3,466 0.538,467 0.905,468 0.043,469 27.75,470 1.321,471 15,472 0.714,473 12.75,474 0.607,475 19.217,476 0.915,477 22.3,478 0.656,479 17.357,480 0.827,481 4.893,482 0.233,483 4.787,484 0.228,485 0.339,486 0.074,487 0.31,493 0.516,494 1.149,495 0.562,496 0.915,497 0.644,498 0.815,499 0.538,500 1.013,501 0.643,502 0.87,503 0.515,504 0.713,505 1.527,506 0.819,507 0.96,508 0.763,509 1.459,510 0.862,511 0.75,512 1.276,513 1.37,514 1.411,515 0.726,516 1.194,517 1.08,518 1.056,519 1.447,520 1.148,521 0.872,522 1.238,523 0.506,524 0.908,525 0.684,526 0.664,527 0.422,528 0.853,529 1.042,530 1.174,531 1.382,532 1.295,533 1.12,534 1.207,535 0.997,536 1.204,537 0.933,538 1.262,539 1.066,540 1.11,541 7,542 0.099,543 2.889,544 2.507,545 1.148,546 0.969,547 0.508,548 0.346,549 0.262,550 0.091,551 3745,552 16076,553 1.878,554 38.2,556 6,559 1,560 6,564 1.632,565 1.669,566 3.079,567 -0.151,569 1,573 68.007,574 2,575 3.851,576 4.293,577 4.609,578 4.609,579 4.609,580 2.489,581 3.88,582 4.36,583 3.261,584 684.834,585 7.473,586 7203.8,587 1,588 1,590 1,591 172.974,592 1.782,593 4.248,594 0.318,595 0.02,596 0.088,597 0.081,598 0.037,599 0.044,600 0.027,601 0.02,602 0.016,603 0.011,604 0.662,605 0.5,606 1,607 1.27,608 94.456,609 0.047,610 -0.048,611 0.026,612 -0.009,613 -0.141,614 0.037,615 0.253,616 0.035,617 0.044,618 0.067,619 0.259,620 0.205,621 -0.425,622 0.226,623 -0.015,624 0.201,625 -0.317,626 0.011,627 0.083,628 -0.272,629 -0.078,630 -0.281,631 0.077,632 -0.208,633 -0.258,634 -0.054,635 -0.167,636 -0.148,637 -0.166,638 -0.266,639 0.126,640 -0.002,641 0.175,642 0.171,643 0.093,644 0.175,645 -0.042,646 -0.236,647 -0.143,648 -0.247,649 -0.11,650 -0.213,651 0.077,652 -0.251,653 -0.096,654 -0.249,655 0.069,656 -0.103,657 4.186,658 4.607,659 0.524,660 16.848,661 1.026,662 1.112,663 2.764,664 7.639,665 0.753,666 3.135,667 3.526,668 3.689,669 3.951,670 4.007,671 4.159,672 4.263,673 4.205,674 4.094,675 4.078,676 5.298,677 0.698,678 389.32,679 3.135,680 4.71,681 5.541,682 6.45,683 7.305,684 8.215,685 9.079,686 9.988,687 10.859,688 11.767,689 5.9,696 1,699 1,704 3,705 1,708 1,709 6,711 11,730 1,731 34,733 14,734 1,735 22,736 1,737 35,738 13,739 9,740 3,741 3,746 2,747 2,752 2,761 10,762 3,766 3,769 1,771 3,775 1,778 1,781 13,782 5,783 1,784 8,785 3,790 2,794 1,795 3,811 1,812 1,826 1,840 2,842 2,843 1,844 3,848 21,851 1,855 1,863 1,869 1,870 8.8,873 3,877 12.583,878 7.176,879 4.417,880 1.782,881 2.313,882 1.362,883 0.975,884 4.736,885 8.708,886 3.45,887 4.139,888 4.586,889 5.187,890 5.562,891 5.951,892 6.39,893 6.627,894 6.841,895 7.089,896 0.833,897 31,898 7.902,900 3.506,901 8.151,902 14.395,904 11.702,905 2.651,906 55.667,910 141.253,911 107.705,912 80.75,914 69.458,916 37.324,917 116.336,918 210.711,919 34.796,920 24.841,921 18.011,922 34.475,923 90.948,924 11.049,925 1.358,926 172.531,927 45.954,928 141.253,929 105.178,930 69.458,931 37.324,932 45.954,933 141.253,934 69.458,937 38.919,938 49.474,939 22.831,940 77.232,941 141.253,942 104.254,943 153.659,945 6.046,946 141.253,947 48.39,948 53.27,949 63.965,950 86.243,951 141.253,952 104.254,953 153.659,955 0.606,956 0.32,957 0.169,958 0.079,959 16,960 9,961 0.086,962 3,964 1,965 3.13,966 156.684,968 11,969 90.239,970 1,973 1,974 16.436,975 6.051,976 3.832,978 104.254,979 5.041,980 4.281,983 1.35,984 3.799,986 18.011,987 399.167,988 30.5,991 -3.269,993 34.274,997 -0.177,999 34.869,1000 37.798,1001 0.393,1002 0.757,1003 0.844,1004 0.906,1005 0.906,1006 0.906,1007 4.716,1008 0.909,1009 5.624,1010 3.293,1011 4.205,1012 4.824,1013 3.197,1014 6.509,1015 4.002,1016 6.014,1017 -0.142,1018 7.248,1019 2.704,1020 4.205,1021 5.112,1022 1.593,1023 7.766,1024 3.845,1025 7.4,1026 -0.275,1027 8.981,1028 -0.357,1029 5.938,1030 7.203,1031 5.134,1032 10.771,1033 5.514,1034 8.822,1035 -0.544,1036 10.777,1037 -0.727,1038 6.648,1039 8.221,1040 3.032,1041 12.79,1042 6.037,1043 10.274,1044 -0.84,1045 12.614,1046 -1.441,1047 8.003,1048 9.924,1049 7.226,1050 15.424,1051 7.322,1052 11.748,1053 -1,1054 14.481,1055 -2,1056 8.999,1057 11.238,1058 4.409,1059 17.728,1060 8.13,1061 13.239,1062 -1,1063 16.369,1064 -2.236,1065 10.235,1066 12.817,1067 9.364,1068 20.251,1069 9.275,1070 3.377,1071 -1,1072 18.273,1073 -3,1074 11.347,1075 14.253,1076 5.75,1077 22.663,1078 10.211,1079 3.061,1080 12.157,1081 20.191,1082 -3,1083 12.549,1084 15.794,1085 11.518,1086 25.155,1087 11.3,1088 2.502,1089 10.187,1090 22.119,1091 4.709,1092 13.709,1093 17.283,1094 7.068,1095 27.61,1096 12.296,1097 2.244,1098 7.411,1099 24.055,1100 4.135,1101 14.903,1102 18.814,1103 13.678,1104 30.095,1105 13.364,1106 1.891,1107 6.561,1108 25.997,1109 3.477,1110 16.084,1111 20.327,1112 8.374,1113 32.568,1114 14.39,1115 1.598,1116 5.259,1117 27.945,1118 2.863,1119 17.279,1120 21.859,1121 15.84,1122 35.054,1123 15.45,1124 1.283,1125 4.177,1126 29.897,1127 2.537,1128 18.471,1129 23.384,1130 9.674,1131 37.537,1132 16.491,1133 3942,1134 8287,1135 13.235,1136 25.591,1137 34.244,1138 36.746,1139 35.544,1140 33.912,1141 33.729,1142 46.001,1143 10.012,1144 103.498,1145 30.304,1146 5.582,1147 7.192,1148 6.485,1149 5.369,1150 5.377,1151 7.709,1152 5.9,1153 19.627,1154 4.927,1155 14.813,1156 1.557,1157 1.67,1158 1.616,1159 1.541,1160 1.533,1161 2.091,1162 0.455,1163 4.704,1164 1.377,1165 4.095,1166 4.072,1167 6.881,1168 4.124,1169 7.716,1170 4.03,1171 3.876,1172 3.871,1173 4.725,1174 3.875,1175 7.43,1176 3.778,1177 3.604,1178 3.621,1179 4.251,1180 3.522,1181 6.999,1182 3.46,1183 3.471,1184 3.509,1185 3.573,1186 3.278,1187 4.864,1188 3.288,1189 3.02,1190 3.112,1191 3.409,1192 2.898,1193 4.601,1194 2.818,1195 2.871,1196 2.915,1197 2.996,1198 2.871,1199 3.951,1200 2.791,1201 2.778,1202 2.862,1203 2.634,1204 2.626,1205 3.775,1206 2.608,1207 2.619,1208 2.704,1209 2.482,1210 2.327,1211 3.678,1212 2.289,1213 0.22,1214 0.236,1215 0.329,1216 0.193,1217 0.153,1218 4.844,1219 0.214,1220 5.192,1221 0.134,1222 7.236,1223 0.553,1224 4.244,1225 0.133,1226 3.377,1227 4.709,1228 2.95,1229 12.157,1230 2.927,1231 1.982,1232 2,1233 1.952,1234 2.008,1235 1.242,1236 2.062,1237 1.626,1238 1.646,1239 1.736,1240 1.79,1241 0.931,1242 1.783,1243 1.526,1244 1.478,1245 1.697,1246 1.721,1247 0.747,1248 1.763,1249 1.401,1250 1.358,1251 1.577,1252 1.584,1253 0.73,1254 1.62,1255 1.133,1256 1.116,1257 1.177,1258 1.271,1259 0.418,1260 1.317,1261 0.873,1262 0.83,1263 1.115,1264 1.046,1265 0.195,1266 1.092,1267 0.814,1268 0.729,1269 0.945,1270 0.987,1271 0.165,1272 1.039,1273 0.559,1274 0.498,1275 0.659,1276 0.823,1278 0.858,1279 3.807,1281 5.176,1282 2.398,1283 6.708,1284 4.727,1285 8.32,1286 6.804,1287 9.977,1288 3.287,1289 4.434,1296 2.647,1305 23.747,1306 68.007,1307 130.935,1308 145.954,1309 156.709,1310 156.709,1311 156.709,1312 50.691,1313 6.395,1314 76.13,1315 112.75,1316 11,1317 12.291,1318 3.907,1319 3.248,1320 39.32,1321 66,1322 63,1323 0.305,1324 162.873,1325 275.77,1326 389.169,1327 3886,1328 2.9,1329 15.784,1330 0.752,1331 0.706,1332 17.388,1333 14.817,1334 9.681,1335 0.44,1336 0.429,1337 6.146,1338 7.655,1339 5.563,1340 4.646,1341 11.56,1342 9.433,1343 10.131,1344 0.307,1345 0.254,1346 12.883,1347 8.37,1348 6.774,1349 0.174,1350 0.15,1351 9.103,1352 5.869,1353 6.043,1354 0.118,1355 0.094,1356 8.936,1357 4.809,1358 3.826,1359 0.071,1360 0.043,1361 5.315,1362 2.33,1363 0.468,1364 81.875,1365 0.275,1366 20.623,1367 0.861,1368 110,1369 389.56,1370 245.943,1371 452.478,1372 586.02,1373 412,1374 127,1375 351.908,1376 242.515,1377 417.551,1378 601.35,1379 387,1380 7.959}
{0 CHEMBL2071330,1 2,2 8.667,3 1.772,4 3.138,5 79.342,6 9.659,7 0.5,8 3.637,9 3.711,10 3.624,11 3.302,12 4.832,13 3.227,14 4.154,15 4.278,16 3.948,17 3.633,18 5.654,19 3.571,20 4.314,21 4.436,22 3.959,23 3.7,24 5.727,25 3.635,26 4.327,27 4.447,28 3.949,29 3.698,30 6,31 3.611,32 4.287,33 4.469,34 3.6,35 3.515,36 5.591,37 3.427,38 4.11,39 4.34,40 3.523,41 3.338,42 5.327,43 3.217,44 3.966,45 4.128,46 3.557,47 3.226,48 5.375,49 3.131,50 3.951,51 4.129,52 3.252,53 3.086,54 5.41,55 3.007,56 0.133,57 0.581,58 6.306,59 3.859,60 24.077,61 3.468,62 0.394,63 0.918,64 15.657,65 6.427,66 65.146,67 6.39,68 0.59,69 1.082,70 16.754,71 7.11,72 103.355,73 5.49,74 0.648,75 1.124,76 21.289,77 8.419,78 113.788,79 7.42,80 0.574,81 1.057,82 19.672,83 7.018,84 86.542,85 6.237,86 0.376,87 0.825,88 16.991,89 6.187,90 52.569,91 6.913,92 0.448,93 0.722,94 13.052,95 5.177,96 67.748,97 4.667,98 0.405,99 0.626,100 18.496,101 5.614,102 64.037,103 5.438,104 55,105 33,106 0.367,107 0.708,108 0.789,109 0.847,110 0.847,111 0.847,112 3.103,113 1.178,114 -3.73,115 -3.7,116 -3.52,119 38.2,120 2,124 1,142 3,143 1,144 2,146 1,152 1,158 1,162 1,172 3,174 1,175 3,178 2,180 2,183 3,187 3,195 5,198 1,199 8,204 2,207 4,212 3,217 2,220 1,224 2,229 1,232 2,237 4,245 2,249 2,250 3,258 1,266 2,275 542,276 12.988,277 12.988,278 12.988,279 12.988,280 12.988,281 11.12,282 13.122,283 7.354,284 13.538,285 10.85,286 10.85,287 10.85,288 10.85,289 10.85,290 7.955,291 15.89,292 3.492,293 11.856,294 3.087,295 1.236,296 0.795,297 0.478,298 0.478,299 0.478,300 3.748,303 1,304 1,305 1,306 366,307 3.606,310 62.989,311 70.963,318 1.46,319 39.912,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 47.5,331 182,332 4.844,333 5.193,334 7.236,335 4.252,336 3.377,337 4.709,338 2.95,339 12.157,340 2.965,341 4.436,342 3.537,343 6.504,344 3.979,345 3.061,346 4.135,347 1.907,348 10.187,349 2.773,350 3.913,351 3.171,352 5.552,353 3.437,354 2.502,355 3.477,356 0.149,357 7.411,358 2.33,359 3.611,360 2.98,361 5.319,362 3.208,363 2.244,364 2.863,366 6.561,367 2.146,368 3.306,369 2.322,370 4.884,371 2.847,372 1.891,373 2.537,375 5.259,376 1.775,377 2.98,378 2.162,379 4.334,380 2.533,381 1.598,382 2.119,384 4.177,385 1.462,386 2.748,387 1.954,388 4.047,389 2.25,390 1.283,391 1.847,393 3.293,394 1.231,395 2.375,396 1.145,397 3.896,398 1.775,399 0.909,400 1.313,402 2.704,403 0.768,404 1.198,405 0.781,406 2.952,407 0.742,408 -0.142,409 -0.178,411 -0.357,412 -0.121,413 1.024,414 0.575,415 2.579,416 0.668,417 -0.275,418 -0.32,420 -0.727,421 -0.255,422 1,423 0.218,424 2.507,425 0.365,426 -0.544,427 -0.666,428 -1.441,429 -0.483,430 0.773,431 -0.007,432 2.221,433 0.116,434 -0.84,435 -1.06,436 -2,437 -0.755,438 0.515,439 -0.172,440 2,441 0.087,442 -1,443 -1.226,445 -2.236,446 -0.795,447 0.389,448 -0.376,449 2,451 -1,452 -1.357,454 -3,455 -1,456 0.295,457 -0.893,458 1.827,459 -0.202,460 -1,461 -1.695,463 -3,464 -1.089,465 10.252,466 0.488,467 0.905,468 0.043,469 28,470 1.333,471 15,472 0.714,473 13,474 0.619,475 16.522,476 0.787,477 23.348,478 0.687,479 20.051,480 0.955,481 5.295,482 0.252,483 4.385,484 0.209,485 0.272,486 0.081,487 0.341,491 1,493 0.517,494 1.046,495 0.786,496 1.071,497 0.613,498 0.891,499 0.56,500 0.989,501 0.858,502 1.017,503 0.539,504 0.781,505 1.405,506 1.002,507 1.103,508 0.889,509 1.387,510 0.905,511 0.839,512 1.354,513 1.308,514 1.391,515 0.758,516 1.214,517 1.266,518 1.161,519 1.186,520 1.055,521 1.141,522 1.149,523 0.577,524 0.918,525 0.459,526 0.706,527 0.527,528 0.915,529 1.176,530 0.993,531 0.937,532 1.037,533 1.272,534 1.063,535 0.952,536 1.074,537 1.291,538 1.347,539 1.006,540 1.134,541 7,542 0.099,543 2.889,544 2.507,545 1.148,546 0.969,547 0.508,548 0.346,549 0.262,550 0.091,551 3745,552 16076,553 1.878,554 38.2,556 6,559 1,560 6,564 1.632,565 1.669,566 3.079,567 -0.151,569 1,571 1,573 68.007,574 2,575 3.851,576 4.293,577 4.609,578 4.609,579 4.609,580 2.489,581 3.88,582 4.36,583 3.261,584 684.834,585 7.473,586 7203.8,587 1,588 1,590 1,591 172.974,592 1.782,593 4.248,594 0.318,595 0.02,596 0.088,597 0.081,598 0.037,599 0.044,600 0.027,601 0.02,602 0.016,603 0.011,604 0.662,605 0.5,606 1,607 1.27,608 94.456,609 0.025,610 -0.042,611 0.147,612 0.007,613 -0.109,614 0.043,615 0.171,616 -0.044,617 0.132,618 0.029,619 0.184,620 0.188,621 -0.353,622 0.04,623 -0.167,624 0.096,625 -0.308,626 -0.022,627 0.155,628 -0.194,629 -0.215,630 -0.266,631 0.219,632 -0.247,633 -0.27,634 -0.031,635 -0.277,636 -0.134,637 -0.226,638 -0.215,639 0.137,640 -0.044,641 0.334,642 0.098,643 0.107,644 0.112,645 -0.079,646 0.079,647 0.068,648 -0.033,649 -0.169,650 -0.096,651 0.019,652 -0.207,653 -0.175,654 -0.292,655 0.005,656 -0.111,657 4.514,658 5.916,659 0.524,660 16.848,661 1.034,662 1.126,663 2.504,664 6.271,665 0.711,666 3.135,667 3.526,668 3.689,669 3.951,670 4.007,671 4.159,672 4.263,673 4.205,674 4.094,675 4.078,676 5.298,677 0.68,678 328.42,679 3.135,680 4.71,681 5.541,682 6.45,683 7.305,684 8.215,685 9.079,686 9.988,687 10.859,688 11.767,689 5.9,696 1,699 1,704 3,705 1,708 1,709 6,711 11,730 1,731 34,733 14,734 1,735 22,737 35,738 13,739 9,740 3,741 3,746 2,747 2,752 2,761 10,762 3,766 3,769 1,771 3,775 1,777 1,778 1,779 1,781 13,782 6,783 1,784 8,785 2,790 2,794 1,795 3,811 1,812 1,826 1,840 2,842 2,844 3,846 1,848 21,851 1,855 1,863 1,869 1,870 8.8,873 3,877 12.583,878 7.176,879 4.417,880 1.782,881 2.313,882 1.362,883 0.97,884 4.332,885 8.708,886 3.45,887 4.139,888 4.586,889 5.187,890 5.562,891 5.951,892 6.39,893 6.627,894 6.841,895 7.089,896 0.833,897 31,898 8.004,900 3.695,901 8.401,902 14.145,904 11.508,905 2.901,906 60.917,910 141.253,911 113.771,912 34.796,914 69.458,915 14.96,916 37.324,917 76.447,918 210.711,919 49.756,920 24.841,921 18.011,922 34.475,923 90.948,924 17.115,925 16.319,926 172.531,928 141.253,929 111.244,930 84.418,931 37.324,933 156.213,934 69.458,937 38.919,938 55.539,939 22.831,940 31.278,941 156.213,942 104.254,943 113.771,945 6.046,946 141.253,947 54.456,948 53.27,949 18.011,950 101.204,951 141.253,952 119.214,953 113.771,955 0.606,956 0.32,957 0.169,958 0.079,959 16,960 9,961 0.086,962 3,964 1,965 3.13,966 156.684,968 11,969 90.239,970 1,973 1,974 15.9,975 5.722,976 3.59,978 119.214,979 3.92,980 4.174,983 1.204,984 1.112,986 18.011,987 374.239,988 30.5,991 -3.597,993 33.801,997 -0.242,999 35.153,1000 38.296,1001 0.393,1002 0.757,1003 0.844,1004 0.906,1005 0.906,1006 0.906,1007 4.716,1008 0.909,1009 5.624,1010 3.293,1011 4.205,1012 4.824,1013 3.197,1014 6.509,1015 4.031,1016 6.014,1017 -0.142,1018 7.248,1019 2.704,1020 4.205,1021 5.112,1022 1.593,1023 7.766,1024 3.895,1025 7.4,1026 -0.275,1027 8.981,1028 -0.357,1029 5.938,1030 7.203,1031 5.134,1032 10.771,1033 5.556,1034 8.822,1035 -0.544,1036 10.777,1037 -0.727,1038 6.648,1039 8.221,1040 3.032,1041 12.79,1042 6.097,1043 10.274,1044 -0.84,1045 12.614,1046 -1.441,1047 8.003,1048 9.924,1049 7.226,1050 15.424,1051 7.378,1052 11.748,1053 -1,1054 14.481,1055 -2,1056 8.999,1057 11.238,1058 4.409,1059 17.728,1060 8.201,1061 13.239,1062 -1,1063 16.369,1064 -2.236,1065 10.235,1066 12.817,1067 9.364,1068 20.251,1069 9.346,1070 3.377,1071 -1,1072 18.273,1073 -3,1074 11.347,1075 14.253,1076 5.75,1077 22.663,1078 10.296,1079 3.061,1080 12.157,1081 20.191,1082 -3,1083 12.549,1084 15.794,1085 11.518,1086 25.155,1087 11.391,1088 2.502,1089 10.187,1090 22.119,1091 4.709,1092 13.709,1093 17.283,1094 7.068,1095 27.61,1096 12.4,1097 2.244,1098 7.411,1099 24.055,1100 4.135,1101 14.903,1102 18.814,1103 13.678,1104 30.095,1105 13.476,1106 1.891,1107 6.561,1108 25.997,1109 3.477,1110 16.084,1111 20.327,1112 8.374,1113 32.568,1114 14.515,1115 1.598,1116 5.259,1117 27.945,1118 2.863,1119 17.279,1120 21.859,1121 15.84,1122 35.054,1123 15.585,1124 1.283,1125 4.177,1126 29.897,1127 2.537,1128 18.471,1129 23.384,1130 9.674,1131 37.537,1132 16.639,1133 3942,1134 8287,1135 13.235,1136 24.176,1137 34.244,1138 36.757,1139 35.544,1140 33.797,1141 33.729,1142 46.001,1143 10.012,1144 103.498,1145 30.9,1146 5.582,1147 7.193,1148 6.485,1149 5.377,1150 5.377,1151 7.709,1152 5.9,1153 19.627,1154 4.965,1155 14.813,1156 1.557,1157 1.671,1158 1.616,1159 1.536,1160 1.533,1161 2.091,1162 0.455,1163 4.704,1164 1.405,1165 4.098,1166 4.078,1167 4.737,1168 4.109,1169 8.201,1170 4.022,1171 3.876,1172 3.872,1173 4.254,1174 3.875,1175 7.715,1176 3.778,1177 3.607,1178 3.623,1179 3.668,1180 3.498,1181 7.43,1182 3.454,1183 3.474,1184 3.512,1185 3.421,1186 3.275,1187 6.999,1188 3.286,1189 3.02,1190 3.112,1191 2.996,1192 2.894,1193 4.851,1194 2.816,1195 2.899,1196 2.957,1197 2.827,1198 2.733,1199 4.508,1200 2.735,1201 2.78,1202 2.867,1203 2.622,1204 2.605,1205 3.947,1206 2.598,1207 2.621,1208 2.705,1209 2.4,1210 2.318,1211 3.678,1212 2.287,1213 0.22,1214 0.236,1215 0.329,1216 0.193,1217 0.153,1218 4.844,1219 0.214,1220 5.193,1221 0.134,1222 7.236,1223 0.553,1224 4.252,1225 0.135,1226 3.377,1227 4.709,1228 2.95,1229 12.157,1230 2.965,1231 1.979,1232 1.995,1233 1.97,1234 2.028,1235 1.226,1236 2.069,1237 1.626,1238 1.645,1239 1.737,1240 1.79,1241 0.931,1242 1.783,1243 1.526,1244 1.478,1245 1.698,1246 1.721,1247 0.745,1248 1.764,1249 1.4,1250 1.355,1251 1.577,1252 1.59,1253 0.727,1254 1.622,1255 1.132,1256 1.114,1257 1.177,1258 1.273,1259 0.414,1260 1.318,1261 0.862,1262 0.805,1263 1.127,1264 1.069,1265 0.192,1266 1.093,1267 0.809,1268 0.723,1269 0.99,1270 1.043,1271 0.125,1272 1.069,1273 0.559,1274 0.497,1275 0.661,1276 0.838,1278 0.865,1279 3.807,1281 5.176,1282 2.398,1283 6.708,1284 4.727,1285 8.32,1286 6.804,1287 9.977,1289 4.064,1291 13.916,1296 2.565,1305 23.106,1306 68.007,1307 130.935,1308 145.954,1309 156.709,1310 156.709,1311 156.709,1312 60.413,1313 6.395,1314 76.13,1315 112.75,1316 11,1317 12.291,1318 3.907,1319 3.248,1320 39.32,1321 66,1322 63,1323 0.305,1324 152.157,1325 262.56,1326 363.023,1327 3886,1328 2.9,1329 15.784,1330 0.752,1331 0.63,1332 15.517,1333 13.231,1334 9.681,1335 0.44,1336 0.393,1337 6.072,1338 8.064,1339 5.563,1340 4.646,1341 10.572,1342 8.64,1343 10.131,1344 0.307,1345 0.228,1346 11.615,1347 7.515,1348 6.774,1349 0.174,1350 0.126,1351 8.042,1352 4.925,1353 6.043,1354 0.118,1355 0.07,1356 6.825,1357 3.548,1358 3.826,1359 0.071,1360 0.037,1361 4.733,1362 1.99,1363 0.468,1364 74.369,1365 0.275,1366 20.623,1367 0.861,1368 110,1369 457.017,1370 183.903,1371 452.478,1372 586.02,1373 412,1374 127,1375 371.508,1376 203.62,1377 417.551,1378 601.35,1379 387,1380 6.914}
{0 CHEMBL2071331,1 1.903,2 8.727,3 1.445,4 2.088,5 84.864,6 9.584,7 0.478,8 3.655,9 3.729,10 3.639,11 3.349,12 4.878,13 3.27,14 4.158,15 4.281,16 3.948,17 3.684,18 5.618,19 3.612,20 4.321,21 4.44,22 3.95,23 3.794,24 5.698,25 3.704,26 4.349,27 4.467,28 3.991,29 3.825,30 5.778,31 3.72,32 4.353,33 4.523,34 3.713,35 3.667,36 5.86,37 3.569,38 4.194,39 4.426,40 3.603,41 3.483,42 5.367,43 3.346,44 4.001,45 4.153,46 3.635,47 3.334,48 5.419,49 3.24,50 4.02,51 4.209,52 3.291,53 3.176,54 5.489,55 3.084,56 0.103,57 0.529,58 6.436,59 3.701,60 20.897,61 3.398,62 0.333,63 0.842,64 15.617,65 6.337,66 59.658,67 6.455,68 0.452,69 0.948,70 15.391,71 6.872,72 83.82,73 5.666,74 0.314,75 1.012,76 21.166,77 8.359,78 56.782,79 7.738,80 0.442,81 0.984,82 17.813,83 6.938,84 97.115,85 6.853,86 0.288,87 0.834,88 18.404,89 6.433,90 60.275,91 7.272,92 0.272,93 0.679,94 12.022,95 5.141,96 48.387,97 4.982,98 0.365,99 0.671,100 18.873,101 5.823,102 65.593,103 5.735,104 60,105 34,106 0.344,107 0.709,108 0.787,109 0.842,110 0.842,111 0.842,112 3.147,113 1.164,114 -3.02,115 -3.02,116 -2.91,119 40,120 2,124 1,142 3,143 2,144 1,146 1,152 1,158 2,162 1,172 4,174 1,175 4,178 2,180 2,183 5,187 6,195 6,198 1,199 10,204 2,207 5,211 2,212 5,217 2,220 2,224 3,229 2,232 2,236 1,237 5,245 2,249 2,250 4,253 1,258 2,266 2,275 620,276 13.859,277 13.859,278 13.859,279 13.859,280 13.859,281 11.951,282 14.721,283 7.879,284 14.365,285 11.288,286 11.288,287 11.288,288 11.288,289 11.288,290 8.203,291 17.232,292 3.652,293 12.202,294 3.226,295 1.201,296 0.772,297 0.465,298 0.465,299 0.465,300 3.795,303 1,304 1,305 1,306 385,307 3.742,310 66.194,311 75.154,318 1.455,319 35.74,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48.5,331 192,332 4.853,333 5.194,334 7.249,335 4.27,336 3.385,337 4.719,338 2.95,339 12.245,340 3.018,341 4.438,342 4.052,343 6.505,344 3.979,345 3.061,346 4.137,347 2.035,348 10.19,349 2.779,350 4.001,351 3.537,352 5.643,353 3.463,354 2.52,355 3.547,356 1.907,357 7.609,358 2.353,359 3.68,360 3.123,361 5.371,362 3.259,363 2.282,364 2.916,365 0.149,366 6.83,367 2.215,368 3.436,369 2.797,370 4.898,371 2.915,372 1.932,373 2.604,375 5.326,376 1.881,377 3.128,378 2.322,379 4.334,380 2.546,381 1.608,382 2.157,384 4.181,385 1.478,386 2.946,387 2.009,388 4.165,389 2.309,390 1.334,391 1.957,393 3.489,394 1.294,395 2.64,396 1.809,397 3.908,398 1.775,399 0.909,400 1.313,402 2.706,403 0.768,404 2.374,405 1.141,406 3.034,407 1.422,408 0.477,409 0.929,411 0.754,412 0.448,413 1.133,414 0.77,415 2.679,416 0.674,417 -0.26,418 -0.306,420 -0.688,421 -0.237,422 1.02,423 0.574,424 2.525,425 0.585,426 -0.347,427 -0.467,428 -0.844,429 -0.32,430 1,431 0.105,432 2.459,433 0.227,434 -0.714,435 -0.934,436 -1.72,437 -0.647,438 0.72,439 -0.008,440 2.164,441 0.107,442 -0.873,443 -1.225,445 -2,446 -0.783,447 0.515,448 -0.258,449 2,450 0.085,451 -1,452 -1.294,454 -2.398,455 -0.843,456 0.389,457 -0.394,458 2,460 -1,461 -1.366,463 -3,464 -1,465 10.867,466 0.494,467 0.867,468 0.039,469 31.5,470 1.432,471 18,472 0.818,473 13.5,474 0.614,475 16.605,476 0.755,477 23.333,478 0.667,479 22.441,480 1.02,481 5.807,482 0.264,483 4.412,484 0.201,485 0.267,486 0.077,487 0.322,493 0.516,494 1.136,495 0.801,496 1.057,497 0.605,498 0.863,499 0.527,500 0.988,501 0.882,502 0.998,503 0.495,504 0.759,505 1.503,506 0.838,507 1.128,508 0.817,509 1.327,510 0.884,511 0.807,512 1.312,513 1.327,514 1.424,515 0.799,516 1.194,517 1.001,518 1.074,519 1.107,520 1.026,521 0.868,522 1.15,523 0.59,524 0.924,525 0.546,526 0.702,527 0.67,528 0.898,529 0.962,530 1.214,531 0.842,532 1.129,533 1.061,534 1.112,535 1.003,536 1.076,537 1.3,538 1.309,539 1.133,540 1.13,541 7,542 0.099,543 2.889,544 2.507,545 1.428,546 1.032,547 0.549,548 0.387,549 0.262,550 0.131,551 4168,552 17231,553 1.883,554 37.1,556 6,559 1,560 6,564 1.647,565 1.682,566 3.108,567 -0.175,569 1,571 1,573 66.606,574 1.903,575 3.928,576 4.357,577 4.665,578 4.665,579 4.665,580 2.517,581 3.971,582 4.428,583 3.277,584 757.063,585 7.619,586 8228.23,587 1,588 1,590 1,591 179.525,592 1.78,593 4.322,594 0.304,595 0.014,596 0.085,597 0.076,598 0.042,599 0.038,600 0.026,601 0.019,602 0.015,603 0.015,604 0.635,605 0.5,606 1,607 1.323,608 100.431,609 0.05,610 -0.047,611 0.154,613 -0.097,614 0.04,615 0.265,616 0.035,617 0.134,618 0.055,619 0.225,620 0.205,621 -0.416,622 0.19,623 -0.193,624 0.166,625 -0.291,627 -0.015,628 -0.283,629 -0.211,630 -0.296,631 0.009,632 -0.219,633 -0.12,634 -0.06,635 -0.244,636 -0.14,637 0.016,638 -0.231,639 0.045,640 0.009,641 0.291,642 0.143,643 -0.002,644 0.136,645 0.009,646 -0.251,647 0.127,648 -0.155,649 -0.077,650 -0.153,651 0.079,652 -0.112,653 -0.187,654 -0.265,655 -0.012,656 -0.114,657 4.374,658 4.644,659 0.5,660 17.926,661 1.025,662 1.115,663 1.787,664 3.195,665 0.728,666 3.178,667 3.555,668 3.738,669 4.007,670 4.111,671 4.22,672 4.344,673 4.29,674 4.248,675 4.19,676 5.367,677 0.692,678 335.44,679 3.178,680 4.745,681 5.58,682 6.488,683 7.348,684 8.257,685 9.128,686 10.036,687 10.914,688 11.821,689 8.6,696 1,698 1,699 1,704 3,705 1,708 1,709 6,711 11,713 1,731 35,733 15,734 1,735 23,737 36,738 14,739 9,740 3,741 3,746 2,747 2,752 2,760 1,761 10,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 13,782 6,783 1,784 8,785 2,790 3,794 1,795 3,811 1,812 1,826 1,840 2,842 2,844 3,848 22,851 1,855 1,861 1,863 1,866 1,868 1,870 8.6,873 3,877 13.083,878 7.483,879 4.75,880 1.858,881 2.454,882 1.378,883 0.962,884 4.53,885 8.943,886 3.541,887 4.186,888 4.674,889 5.283,890 5.736,891 6.075,892 6.547,893 6.785,894 7.128,895 7.271,896 0.833,897 33,898 8.283,900 3.716,901 8.292,902 14.832,904 11.983,905 2.792,906 61.417,910 141.253,911 124.437,912 65.856,914 69.458,916 37.324,917 87.114,918 210.711,919 65.856,920 24.841,921 18.011,922 34.475,923 107.55,924 42.239,925 1.358,926 172.531,928 141.253,929 152.969,930 69.458,931 37.324,933 141.253,934 69.458,937 69.978,938 66.206,939 22.831,940 31.278,941 141.253,942 135.314,943 124.437,945 6.046,946 141.253,947 48.52,948 53.27,949 34.612,950 117.303,951 141.253,952 135.314,953 124.437,955 0.597,956 0.324,957 0.176,958 0.091,959 16,960 9,961 0.083,962 3,964 1,965 3.202,966 167.792,968 11,969 96.107,970 1,973 1,974 16.448,975 6.059,976 3.655,978 135.314,979 4.574,980 4.239,983 1.272,984 2.725,986 18.011,987 401.004,988 33.5,991 -3.457,993 34.36,997 -0.217,999 35.858,1000 39.039,1001 0.371,1002 0.766,1003 0.849,1004 0.909,1005 0.909,1006 0.909,1007 4.81,1008 0.909,1009 5.652,1010 3.489,1011 4.234,1012 4.871,1013 3.488,1014 6.538,1015 4.083,1016 6.105,1017 0.477,1018 7.274,1019 2.706,1020 4.205,1021 5.112,1022 1.593,1023 7.796,1024 3.931,1025 7.484,1026 -0.26,1027 9.006,1028 0.754,1029 5.964,1030 7.242,1031 5.318,1032 10.807,1033 5.626,1034 8.899,1035 -0.347,1036 10.802,1037 -0.688,1038 6.661,1039 8.239,1040 3.032,1041 12.829,1042 6.167,1043 10.343,1044 -0.714,1045 12.639,1046 -0.844,1047 8.025,1048 9.956,1049 7.324,1050 15.466,1051 7.464,1052 11.811,1053 -0.873,1054 14.505,1055 -1.72,1056 9.016,1057 11.261,1058 4.409,1059 17.774,1060 8.296,1061 13.296,1062 -1,1063 16.393,1064 -2,1065 10.256,1066 12.845,1067 9.413,1068 20.303,1069 9.453,1070 3.385,1071 -1,1072 18.298,1073 -2.398,1074 11.367,1075 14.278,1076 5.75,1077 22.721,1078 10.417,1079 3.061,1080 12.245,1081 20.216,1082 -3,1083 12.57,1084 15.821,1085 11.542,1086 25.219,1087 11.523,1088 2.52,1089 10.19,1090 22.144,1091 4.719,1092 13.731,1093 17.309,1094 7.068,1095 27.681,1096 12.549,1097 2.282,1098 7.609,1099 24.08,1100 4.137,1101 14.927,1102 18.842,1103 13.689,1104 30.174,1105 13.637,1106 1.932,1107 6.83,1108 26.023,1109 3.547,1110 16.109,1111 20.355,1112 8.374,1113 32.655,1114 14.693,1115 1.608,1116 5.326,1117 27.971,1118 2.916,1119 17.306,1120 21.888,1121 15.845,1122 35.148,1123 15.778,1124 1.334,1125 4.181,1126 29.924,1127 2.604,1128 18.5,1129 23.415,1130 9.674,1131 37.639,1132 16.849,1133 4392,1134 9043,1135 13.929,1136 25.483,1137 36.774,1138 40.281,1139 36.998,1140 35.053,1141 35.015,1142 48.56,1143 14.081,1144 106.662,1145 32.468,1146 5.591,1147 7.194,1148 6.769,1149 5.395,1150 5.385,1151 7.719,1152 5.9,1153 19.769,1154 5.018,1155 15.349,1156 1.599,1157 1.751,1158 1.609,1159 1.524,1160 1.522,1161 2.111,1162 0.612,1163 4.637,1164 1.412,1165 4.104,1166 4.084,1167 4.737,1168 4.121,1169 7.716,1170 4.037,1171 3.876,1172 3.873,1173 4.254,1174 3.875,1175 7.43,1176 3.779,1177 3.619,1178 3.631,1179 3.693,1180 3.527,1181 6.999,1182 3.474,1183 3.485,1184 3.524,1185 3.426,1186 3.28,1187 6.82,1188 3.295,1189 3.169,1190 3.223,1191 3.132,1192 3.017,1193 4.856,1194 3.036,1195 3.018,1196 3.11,1197 2.996,1198 2.892,1199 4.553,1200 2.815,1201 2.789,1202 2.874,1203 2.63,1204 2.637,1205 3.948,1206 2.624,1207 2.645,1208 2.721,1209 2.428,1210 2.379,1211 3.678,1212 2.358,1213 0.211,1214 0.226,1215 0.315,1216 0.186,1217 0.147,1218 4.853,1219 0.205,1220 5.194,1221 0.128,1222 7.249,1223 0.532,1224 4.27,1225 0.131,1226 3.385,1227 4.719,1228 2.95,1229 12.245,1230 3.018,1231 1.997,1232 2.012,1233 1.989,1234 2.033,1235 1.242,1236 2.077,1237 1.627,1238 1.647,1239 1.738,1240 1.79,1241 0.931,1242 1.784,1243 1.527,1244 1.478,1245 1.701,1246 1.721,1247 0.747,1248 1.764,1249 1.416,1250 1.378,1251 1.578,1252 1.598,1253 0.73,1254 1.63,1255 1.167,1256 1.141,1257 1.227,1258 1.308,1259 0.419,1260 1.33,1261 1.073,1262 1.031,1263 1.177,1264 1.254,1265 0.196,1266 1.258,1267 0.827,1268 0.742,1269 1.075,1270 1.045,1271 0.173,1272 1.092,1273 0.574,1274 0.51,1275 0.704,1276 0.878,1278 0.907,1279 3.85,1281 5.209,1282 2.398,1283 6.739,1284 4.727,1285 8.352,1286 6.804,1287 10.013,1289 4.244,1296 2.608,1303 9.163,1304 1.906,1305 24.217,1306 66.606,1307 137.486,1308 152.505,1309 163.26,1310 163.26,1311 163.26,1312 59.215,1313 6.489,1314 99.92,1315 136.54,1316 11,1317 12.344,1318 4,1319 3.524,1320 42.173,1321 70,1322 69,1323 0.307,1324 161.491,1325 279.51,1326 385.797,1327 4351,1329 16.491,1330 0.75,1331 0.627,1332 17.095,1333 13.801,1334 10.219,1335 0.444,1336 0.388,1337 6.375,1338 8.664,1339 5.835,1340 4.894,1341 11.521,1342 8.925,1343 10.322,1344 0.304,1345 0.226,1346 12.333,1347 7.693,1348 7.112,1349 0.173,1350 0.125,1351 8.695,1352 5.118,1353 6.211,1354 0.115,1355 0.07,1356 7.87,1357 3.778,1358 4.397,1359 0.073,1360 0.037,1361 5.612,1362 2.194,1363 0.47,1364 77.085,1365 0.268,1366 21.418,1367 0.874,1368 114,1369 414.551,1370 184.766,1371 444.226,1372 581.28,1373 404,1374 132,1375 371.583,1376 204.822,1377 426.75,1378 610.11,1379 395,1380 7.347}
{0 CHEMBL2071332,1 2.104,2 8.833,3 2.508,4 6.292,5 85.1,6 10.228,7 0.44,8 3.735,9 3.806,10 3.729,11 3.361,12 4.971,13 3.314,14 4.297,15 4.417,16 4.142,17 3.7,18 6.2,19 3.675,20 4.403,21 4.516,22 4.08,23 3.809,24 5.879,25 3.761,26 4.503,27 4.615,28 4.264,29 3.853,30 5.986,31 3.814,32 4.594,33 4.739,34 4.12,35 3.703,36 6.57,37 3.714,38 4.442,39 4.666,40 3.933,41 3.524,42 5.831,43 3.472,44 4.171,45 4.313,46 3.897,47 3.364,48 5.825,49 3.36,50 4.227,51 4.428,52 3.464,53 3.2,54 5.822,55 3.164,56 0.243,57 0.78,58 5.262,59 4.295,60 55.197,61 3.496,62 1.021,63 1.543,64 16.565,65 7.19,66 192.832,67 6.538,68 0.799,69 1.309,70 13.997,71 7.694,72 141.296,73 5.839,74 0.785,75 1.658,76 25.104,77 10.419,78 163.265,79 7.91,80 1.546,81 1.593,82 20.483,83 8.691,84 292.858,85 7.016,86 1.12,87 1.425,88 27.352,89 8.947,90 197.277,91 7.41,92 0.672,93 1.11,94 11.759,95 5.824,96 106.748,97 5.07,98 1.002,99 0.91,100 23.815,101 6.588,102 155.97,103 5.807,104 92,105 39,106 0.38,107 0.712,108 0.785,109 0.838,110 0.838,111 0.838,112 3.229,113 1.112,114 -4.25,115 -4.19,116 -3.95,119 37.8,120 2,124 1,132 1,142 3,143 2,144 1,146 1,152 1,158 1,162 1,172 4,174 1,175 3,178 2,180 2,183 5,187 5,195 6,198 1,199 8,204 2,207 5,212 4,217 2,220 2,224 2,229 2,232 2,237 4,245 2,249 2,250 4,258 2,266 2,275 764,276 14.46,277 14.46,278 14.46,279 14.46,280 14.46,281 12.683,282 15.602,283 8.058,284 15.208,285 12.345,286 12.345,287 12.345,288 12.345,289 12.345,290 9.502,291 18.561,292 3.845,293 13.718,294 3.106,295 1.265,296 0.859,297 0.568,298 0.568,299 0.568,300 3.873,303 1,304 1,305 1,306 423,307 4.359,310 72.604,311 83.535,318 1.431,319 59.901,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 212,332 4.889,333 5.198,334 7.472,335 4.401,336 3.519,337 4.728,338 3.825,339 13.094,340 3.114,341 4.453,342 4.447,343 6.876,344 3.982,345 3.103,346 4.141,347 2.95,348 10.832,349 2.79,350 4.305,351 3.537,352 6.495,353 3.913,354 3.046,355 3.694,356 1.907,357 10.147,358 2.547,359 3.765,360 3.118,361 5.46,362 3.389,363 2.446,364 3.08,365 0.149,366 7.239,367 2.301,368 3.502,369 2.72,370 5.113,371 3.088,372 2.11,373 2.724,375 5.984,376 2.031,377 3.153,378 2.322,379 4.848,380 2.66,381 1.724,382 2.331,384 5.086,385 1.574,386 2.943,387 1.99,388 4.334,389 2.488,390 1.555,391 2.071,393 4.172,394 1.423,395 2.579,396 1.514,397 4.04,398 2.106,399 1.136,400 1.611,402 3.032,403 1.086,404 2.374,405 1.132,406 3.899,407 1.775,408 0.909,409 1.313,411 2.7,412 0.767,413 1.085,414 0.757,415 3.032,416 0.677,417 -0.252,418 -0.298,420 -0.688,421 -0.227,422 1.011,423 0.572,424 2.698,425 0.62,426 -0.317,427 -0.398,428 -0.869,429 -0.294,430 1,431 0.51,432 2.529,433 0.248,434 -0.691,435 -0.836,436 -1.877,437 -0.627,438 0.648,439 0.51,440 2.47,441 0.108,442 -0.869,443 -1,445 -2,446 -0.7,447 0.515,448 0.019,449 2.166,450 0.085,451 -1,452 -1,454 -2.67,455 -0.7,456 0.389,457 -0.012,458 2,460 -1,461 -1.15,463 -3,464 -0.781,465 11.324,466 0.472,467 1.194,468 0.05,469 30,470 1.25,471 15,472 0.625,473 15,474 0.625,475 21.041,476 0.877,477 27.676,478 0.748,479 25.312,480 1.055,481 5.771,482 0.24,483 5.121,484 0.213,485 0.296,486 0.118,487 0.309,490 3,493 0.542,494 0.959,495 0.755,496 1.082,497 0.644,498 0.901,499 0.415,500 0.71,501 0.798,502 0.955,503 0.416,504 0.762,505 1.012,506 0.825,507 1.051,508 0.866,509 0.983,510 0.921,511 0.917,512 1.302,513 1.263,514 1.533,515 0.962,516 1.219,517 1.004,518 1.228,519 1.022,520 1.007,521 0.884,522 1.104,523 1.242,524 1.173,525 0.778,526 0.818,527 1.173,528 0.901,529 0.913,530 1.158,531 0.769,532 1.148,533 0.979,534 1.104,535 1.225,536 0.861,537 1.383,538 1.099,539 1.27,540 1.081,541 9,542 0.099,543 3.556,544 2.882,545 2.086,546 1.323,547 0.723,548 0.531,549 0.287,550 0.211,551 5026,552 24773,553 1.839,554 35.1,556 6,559 1,560 6,564 1.674,565 1.618,566 3.1,567 -0.136,568 1,569 1,573 77.831,574 2.104,575 3.945,576 4.351,577 4.641,578 4.641,579 4.641,580 2.519,581 4.022,582 4.554,583 3.285,584 906.713,585 7.886,586 10394.2,587 1,588 1,590 1,591 192.75,592 1.848,593 4.418,594 0.36,595 0.009,596 0.091,597 0.078,598 0.052,599 0.036,600 0.029,601 0.02,602 0.015,603 0.019,604 0.71,605 0.33,606 1,607 1.288,608 112.267,610 -0.032,611 0.117,612 0.012,613 -0.114,614 0.041,615 0.414,616 0.291,617 0.167,618 0.099,619 0.407,620 0.199,621 -0.259,623 -0.178,624 0.115,625 -0.19,626 -0.008,627 -0.078,628 -0.271,629 -0.133,630 -0.337,631 -0.122,632 -0.217,633 0.113,634 -0.118,635 -0.167,636 -0.116,637 0.216,638 -0.219,639 -0.178,640 -0.053,641 0.209,642 0.107,643 -0.187,644 0.136,645 0.031,646 -0.178,647 0.154,648 -0.195,649 -0.038,650 -0.164,651 -0.106,652 0.169,653 -0.278,654 -0.095,655 -0.165,656 -0.075,657 6.062,658 5.219,659 0.458,660 19.403,661 1.056,662 1.146,663 3.017,664 9.1,665 0.698,666 3.258,667 3.689,668 3.829,669 4.111,670 4.29,671 4.331,672 4.489,673 4.443,674 4.5,675 4.382,676 5.446,677 0.686,678 378.43,679 3.258,680 4.86,681 5.694,682 6.624,683 7.492,684 8.417,685 9.301,686 10.221,687 11.115,688 12.031,689 5.4,696 1,699 1,704 3,705 1,708 1,709 6,711 11,731 37,733 14,734 1,735 25,737 38,738 14,739 9,740 3,741 3,746 2,747 2,752 3,757 1,761 10,762 4,766 3,769 1,771 3,775 1,777 1,778 1,779 3,781 13,782 8,783 1,784 10,785 2,790 2,794 1,795 3,811 1,812 1,826 1,840 2,842 2,844 3,846 3,848 24,851 1,855 1,860 1,863 1,869 3,870 8.1,873 3,877 14.833,878 7.712,879 4.917,880 1.915,881 2.286,882 1.343,883 0.966,884 4.963,885 8.944,886 3.541,887 4.23,888 4.674,889 5.283,890 5.736,891 6.075,892 6.547,893 6.785,894 7.128,895 7.271,896 0.833,897 37,898 9.9,900 5.271,901 8.757,902 15.747,904 12.876,905 3.257,906 78.167,910 141.253,911 115.595,912 34.796,914 69.458,915 44.88,916 37.324,917 78.271,918 210.711,919 79.677,920 24.841,921 18.011,922 34.475,923 90.948,924 56.06,925 1.358,926 172.531,927 7.76,928 141.253,929 113.068,930 114.338,931 37.324,933 141.253,934 114.338,937 46.678,938 49.604,939 22.831,940 31.278,941 186.134,942 104.254,943 115.595,945 6.046,946 149.013,947 48.52,948 53.27,949 18.011,950 131.124,951 141.253,952 149.134,953 115.595,955 0.617,956 0.316,957 0.165,958 0.097,959 19,960 11,961 0.079,962 3,964 1,965 3.267,966 194.281,968 11,969 103.284,970 1,973 1,974 18.724,975 6.361,976 4.282,978 149.134,979 3.017,980 4.077,983 1.014,984 -0.704,986 18.011,987 405.983,988 33.5,991 -4.026,993 34.218,997 -0.348,999 39.062,1000 42.39,1001 0.404,1002 0.757,1003 0.835,1004 0.891,1005 0.891,1006 0.891,1007 4.842,1008 1.136,1009 5.82,1010 4.172,1011 4.369,1012 4.916,1013 3.791,1014 6.753,1015 4.169,1016 6.157,1017 0.909,1018 7.479,1019 3.032,1020 4.511,1021 5.247,1022 3.979,1023 8.174,1024 4.125,1025 7.557,1026 -0.252,1027 9.253,1028 2.7,1029 6.188,1030 7.288,1031 5.978,1032 11.168,1033 5.753,1034 8.991,1035 -0.317,1036 11.091,1037 -0.688,1038 7.004,1039 8.323,1040 6.714,1041 13.294,1042 6.368,1043 10.452,1044 -0.691,1045 12.969,1046 -0.869,1047 8.345,1048 10.005,1049 8.419,1050 15.959,1051 7.642,1052 11.933,1053 -0.869,1054 14.873,1055 -1.877,1056 9.406,1057 11.321,1058 9.395,1059 18.336,1060 8.525,1061 13.43,1062 -1,1063 16.796,1064 -2,1065 10.652,1066 12.891,1067 10.961,1068 20.911,1069 9.682,1070 3.519,1071 -1,1072 18.734,1073 -2.67,1074 11.808,1075 14.327,1076 12.076,1077 23.387,1078 10.683,1079 3.103,1080 13.094,1081 20.682,1082 -3,1083 13.03,1084 15.864,1085 13.556,1086 25.939,1087 11.801,1088 3.046,1089 10.832,1090 22.639,1091 4.728,1092 14.226,1093 17.352,1094 14.758,1095 28.459,1096 12.858,1097 2.446,1098 10.147,1099 24.602,1100 4.141,1101 15.447,1102 18.882,1103 16.185,1104 31.01,1105 13.966,1106 2.11,1107 7.239,1108 26.57,1109 3.694,1110 16.661,1111 20.395,1112 17.441,1113 33.551,1114 15.052,1115 1.724,1116 5.984,1117 28.544,1118 3.08,1119 17.887,1120 21.927,1121 18.834,1122 36.106,1123 16.161,1124 1.555,1125 5.086,1126 30.521,1127 2.724,1128 19.112,1129 23.454,1130 20.124,1131 38.659,1132 17.262,1133 5316,1134 11953,1135 14.622,1136 25.813,1137 39.806,1138 40.929,1139 40.914,1140 39.259,1141 39.096,1142 51.389,1143 17.663,1144 124.574,1145 35.269,1146 5.628,1147 7.198,1148 6.72,1149 5.526,1150 5.519,1151 7.728,1152 6.775,1153 21.211,1154 5.114,1155 18.147,1156 1.592,1157 1.637,1158 1.637,1159 1.57,1160 1.564,1161 2.056,1162 0.707,1163 4.983,1164 1.411,1165 4.111,1166 4.092,1167 4.737,1168 4.121,1169 8.513,1170 4.038,1171 3.876,1172 3.874,1173 4.254,1174 3.875,1175 7.999,1176 3.779,1177 3.634,1178 3.64,1179 3.737,1180 3.525,1181 7.999,1182 3.476,1183 3.498,1184 3.538,1185 3.437,1186 3.28,1187 7.715,1188 3.296,1189 3.287,1190 3.336,1191 3.29,1192 3,1193 7.43,1194 3.05,1195 3.019,1196 3.111,1197 2.996,1198 2.892,1199 6.999,1200 2.815,1201 2.791,1202 2.874,1203 2.632,1204 2.636,1205 4.857,1206 2.625,1207 2.66,1208 2.735,1209 2.469,1210 2.368,1211 4.553,1212 2.361,1213 0.196,1214 0.208,1215 0.299,1216 0.176,1217 0.141,1218 4.889,1219 0.189,1220 5.198,1221 0.153,1222 7.472,1223 0.524,1224 4.401,1225 0.125,1226 3.519,1227 4.728,1228 3.825,1229 13.094,1230 3.114,1231 1.997,1232 2.012,1233 1.987,1234 2.045,1235 1.261,1236 2.081,1237 1.627,1238 1.647,1239 1.738,1240 1.79,1241 0.931,1242 1.785,1243 1.526,1244 1.478,1245 1.701,1246 1.722,1247 0.752,1248 1.765,1249 1.415,1250 1.377,1251 1.578,1252 1.614,1253 0.734,1254 1.634,1255 1.161,1256 1.139,1257 1.206,1258 1.429,1259 0.431,1260 1.359,1261 1.061,1262 1.023,1263 1.177,1264 1.266,1265 0.263,1266 1.296,1267 0.827,1268 0.741,1269 1.068,1270 1.045,1271 0.189,1272 1.092,1273 0.569,1274 0.508,1275 0.685,1276 0.895,1278 0.917,1279 3.932,1281 5.333,1282 2.398,1283 6.889,1284 4.727,1285 8.522,1286 6.804,1287 10.203,1289 3.609,1291 39.656,1296 2.467,1301 -4.812,1305 25.399,1306 77.831,1307 145.956,1308 160.975,1309 171.73,1310 171.73,1311 171.73,1312 87.059,1313 6.658,1314 76.13,1315 112.75,1316 11,1317 12.546,1318 3.907,1319 3.248,1320 48.216,1321 78,1322 81,1323 0.317,1324 164.146,1325 292,1326 392.276,1327 5287,1328 8.1,1329 18.284,1330 0.762,1331 0.604,1332 16.388,1333 14.487,1334 10.892,1335 0.436,1336 0.371,1337 6.65,1338 9.085,1339 6.169,1340 5.106,1341 10.983,1342 9.268,1343 12.126,1344 0.311,1345 0.207,1346 12.142,1347 8.079,1348 7.567,1349 0.168,1350 0.118,1351 8.382,1352 5.303,1353 6.516,1354 0.109,1355 0.066,1356 7.717,1357 3.983,1358 5.085,1359 0.071,1360 0.034,1361 4.878,1362 2.467,1363 0.482,1364 83.021,1365 0.262,1366 22.91,1367 0.917,1368 128,1369 647.239,1370 215.09,1371 578.822,1372 734.64,1373 526,1374 148,1375 462.174,1376 230.632,1377 495.662,1378 736.11,1379 459,1380 7.553}
{0 CHEMBL2071333,1 1.703,2 9.333,3 2.267,4 5.137,5 83.733,6 8.526,7 0.696,8 3.671,9 3.784,10 3.414,11 3.285,12 4.84,13 3.242,14 4.14,15 4.298,16 3.816,17 3.629,18 5.308,19 3.574,20 4.258,21 4.44,22 3.707,23 3.677,24 5.369,25 3.582,26 4.245,27 4.413,28 3.74,29 3.725,30 5.354,31 3.594,32 4.244,33 4.436,34 3.455,35 3.619,36 5.295,37 3.492,38 4.184,39 4.436,40 3.204,41 3.388,42 5.111,43 3.253,44 3.979,45 4.209,46 3.206,47 3.196,48 5.06,49 3.088,50 3.886,51 4.113,52 3.187,53 3.156,54 5.017,55 3.043,56 0.05,57 0.556,58 6.11,59 3.058,60 4.877,61 3.584,62 0.161,63 0.878,64 12.74,65 4.924,66 15.07,67 6.057,68 0.253,69 0.939,70 15.93,71 5.683,72 30.182,73 6.153,74 0.18,75 0.941,76 19.698,77 7.225,78 17.981,79 7.876,80 0.161,81 0.911,82 18.181,83 6.488,84 17.594,85 7.386,86 0.136,87 0.778,88 15.14,89 5.728,90 18.212,91 7.845,92 0.184,93 0.637,94 13.041,95 4.633,96 25.473,97 5.781,98 0.183,99 0.6,100 12.614,101 4.47,102 21.981,103 5.275,104 12,105 32,106 0.308,107 0.676,108 0.768,109 0.838,110 0.838,111 0.838,112 3.103,113 0.953,114 -3.85,115 -3.81,116 -3.62,119 42.9,120 2,142 5,143 1,144 1,145 1,146 1,151 1,152 1,158 1,162 1,166 1,172 4,175 7,178 2,180 2,183 5,187 5,195 6,198 1,199 7,204 2,207 7,212 3,217 2,220 4,224 3,229 2,232 3,236 1,237 4,245 2,249 1,250 3,253 1,258 3,263 1,266 1,271 1,275 556,276 14.085,277 14.085,278 14.085,279 14.085,280 14.085,281 12.012,282 15.589,283 8.351,284 14.453,285 11.376,286 11.376,287 11.376,288 11.376,289 11.376,290 8.305,291 18.147,292 3.984,293 12.028,294 3.426,295 1.393,296 0.889,297 0.5,298 0.5,299 0.5,300 3.779,303 1,304 1,305 1,306 419,307 2.646,310 124.147,311 67.045,318 1.619,319 13.975,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 45,331 196,332 4.451,333 3.537,334 6.502,335 4.014,336 3.082,337 4.157,338 1.907,339 10.175,340 2.89,341 4.212,342 3.129,343 6.137,344 3.785,345 2.84,346 3.842,347 0.149,348 9.032,349 2.671,350 3.776,351 2.958,352 5.44,353 3.386,354 2.436,355 3.243,357 7.176,358 2.309,359 3.521,360 2.369,361 4.962,362 3.094,363 2.103,364 2.794,366 5.598,367 2.069,368 3.234,369 2.028,370 4.482,371 2.755,372 1.784,373 2.499,375 4.566,376 1.722,377 2.983,378 1.773,379 4.33,380 2.535,381 1.596,382 2.125,384 4.159,385 1.467,386 2.5,387 1.113,388 3.893,389 2,390 1.046,391 1.5,393 2.789,394 1,395 2.481,396 1,397 3.414,398 1.965,399 1,400 1.473,402 2.275,403 0.951,404 2.257,405 0.797,406 3.271,407 1.691,408 0.769,409 1.139,411 1.955,412 0.695,413 2.118,414 0.618,415 3,416 1.565,417 0.618,418 0.927,420 1.372,421 0.584,422 1.045,423 0.579,424 2.585,425 0.674,426 -0.264,427 -0.308,428 -0.702,429 -0.243,430 0.974,431 -0.007,432 2.503,433 0.569,434 -0.379,435 -0.49,436 -0.944,437 -0.357,438 0.517,439 -0.25,440 2.112,441 0.156,442 -0.785,443 -0.967,445 -1.938,446 -0.717,447 0.5,448 -0.538,449 2,450 0.092,451 -1,452 -1.341,454 -2,455 -1,456 0.386,457 -1,458 1.701,460 -1,461 -1.5,463 -3,464 -1.089,465 10.267,466 0.489,467 0.541,468 0.026,469 29.5,470 1.405,471 16,472 0.762,473 13.5,474 0.643,475 14.641,476 0.697,477 21.533,478 0.615,479 18.412,480 0.877,481 5.83,482 0.278,483 4.301,484 0.205,485 0.13,487 0.331,493 0.685,494 1.144,495 0.699,496 0.877,497 0.594,498 0.85,499 0.629,500 1.195,501 0.711,502 0.94,503 0.522,504 0.83,505 1.577,506 0.858,507 1.158,508 0.813,509 1.45,510 0.882,511 0.65,512 1.181,513 1.471,514 1.445,515 0.492,516 1.154,517 0.984,518 1.129,519 1.485,520 1.363,521 0.775,522 1.258,523 0.632,524 1.039,525 0.708,526 0.967,527 0.61,528 1.085,529 1.17,530 0.939,531 0.784,532 0.875,533 1.486,534 0.926,535 1.119,536 0.786,537 0.948,538 0.869,539 1.279,540 0.851,541 4.5,542 0.053,543 2.222,544 1.472,545 0.847,546 0.758,547 0.354,548 0.221,549 0.157,550 0.096,551 4519,552 13645,553 2.074,554 40,556 5,557 1,558 1,559 1,560 6,564 1.628,565 1.938,566 3.209,567 -0.244,569 1,571 1,573 59.619,574 1.703,575 3.736,576 4.24,577 4.629,578 4.629,579 4.629,580 2.701,581 3.916,582 4.359,583 3.372,584 708.136,585 7.454,586 7550.43,587 1,588 1,590 1,591 179.525,592 1.418,593 4.322,594 0.196,595 0.009,596 0.069,597 0.053,598 0.03,599 0.033,600 0.021,601 0.014,602 0.01,603 0.009,604 0.443,605 0.67,606 1,607 1.029,608 95.482,609 0.035,610 -0.05,611 0.066,612 0.02,613 -0.071,614 0.008,615 0.213,616 -0.131,617 0.214,618 0.02,619 0.133,620 0.078,621 -0.408,622 0.212,623 -0.143,624 0.177,625 -0.292,626 0.02,627 0.071,628 -0.13,629 -0.171,630 -0.21,631 0.124,632 -0.145,633 -0.205,634 -0.105,635 -0.403,636 -0.298,637 -0.125,638 -0.286,639 0.077,640 -0.183,641 0.088,642 -0.1,643 0.051,644 -0.057,645 0.005,646 -0.052,647 0.152,648 0.062,649 -0.068,650 0.073,651 0.044,652 0.159,653 0.114,654 0.145,655 0.03,656 0.147,657 1.774,658 4.092,659 0.762,660 18.163,661 1.007,662 1.12,663 2.623,664 6.881,665 0.712,666 3.178,667 3.497,668 3.738,669 4.007,670 4.078,671 4.19,672 4.317,673 4.317,674 4.369,675 4.394,676 5.623,677 0.675,678 298.4,679 3.178,680 4.71,681 5.549,682 6.425,683 7.283,684 8.163,685 9.029,686 9.911,687 10.782,688 11.664,689 11.4,696 1,697 1,699 2,704 7,705 2,708 1,709 5,710 1,711 16,731 35,733 17,734 1,735 23,737 37,738 15,739 12,740 2,741 4,746 3,747 3,752 2,761 13,762 2,766 1,771 1,775 1,777 1,778 1,781 14,782 4,783 1,784 6,785 1,790 4,794 1,795 1,803 1,811 2,812 1,826 1,840 3,842 1,844 2,848 21,855 1,863 1,870 2.9,873 1,877 10.833,878 7.017,879 4.583,880 1.976,881 2.875,882 1.43,883 1,884 3.842,885 9.561,886 3.497,887 4.111,888 4.677,889 5.293,890 5.637,891 6.011,892 6.475,893 6.816,894 7.19,895 7.49,896 1,897 28,898 7.693,900 3.192,901 7.754,902 14.622,904 11.662,905 2.254,906 47.333,910 153.024,911 129.667,912 53.236,914 25.145,916 31.278,917 98.389,918 178.169,919 53.236,920 17.65,921 18.011,922 56.429,923 75.069,924 20.024,925 13.13,926 160.76,928 153.024,929 151.625,930 25.145,931 31.278,933 153.024,934 25.145,937 49.743,938 68.434,939 33.449,940 31.278,941 153.024,942 78.381,943 129.667,946 153.024,947 46.541,948 84.903,949 18.011,950 58.593,951 153.024,952 78.381,953 129.667,955 0.58,956 0.325,957 0.182,958 0.086,959 16,960 7,961 0.081,962 3,964 1,965 3.397,966 158.05,968 16,969 88.239,970 1,974 13.959,975 5.78,976 3.03,978 76.604,979 13.646,980 8.571,983 1.479,984 4.693,985 1.812,986 18.011,987 361.072,988 32,993 11.092,997 -0.107,999 35.229,1000 39.199,1001 0.332,1002 0.728,1003 0.827,1004 0.902,1005 0.902,1006 0.902,1007 4.71,1008 1,1009 5.533,1010 2.789,1011 4.174,1012 4.796,1013 1.953,1014 6.326,1015 4.066,1016 5.927,1017 0.769,1018 7.079,1019 2.275,1020 3.761,1021 4.543,1022 1.593,1023 7.182,1024 3.604,1025 7.23,1026 0.618,1027 8.723,1028 1.955,1029 5.746,1030 6.981,1031 2.904,1032 10.266,1033 5.522,1034 8.569,1035 -0.264,1036 10.426,1037 1.372,1038 6.155,1039 7.575,1040 3.032,1041 11.966,1042 5.861,1043 9.939,1044 -0.379,1045 12.167,1046 -0.702,1047 7.605,1048 9.437,1049 4.037,1050 14.544,1051 7.258,1052 11.33,1053 -0.785,1054 13.934,1055 -0.944,1056 8.385,1057 10.432,1058 4.409,1059 16.586,1060 7.958,1061 12.738,1062 -1,1063 15.721,1064 -1.938,1065 9.625,1066 12.046,1067 5.25,1068 18.987,1069 9.147,1070 3.082,1071 -1,1072 17.522,1073 -2,1074 10.578,1075 13.244,1076 5.75,1077 21.175,1078 10.019,1079 2.84,1080 10.175,1081 19.335,1082 -3,1083 11.733,1084 14.744,1085 6.501,1086 23.511,1087 11.12,1088 2.436,1089 9.032,1090 21.156,1091 4.157,1092 12.766,1093 16.044,1094 7.068,1095 25.761,1096 12.077,1097 2.103,1098 7.176,1099 22.984,1100 3.842,1101 13.888,1102 17.494,1103 7.771,1104 28.075,1105 13.142,1106 1.784,1107 5.598,1108 24.817,1109 3.243,1110 14.96,1111 18.846,1112 8.374,1113 30.355,1114 14.14,1115 1.596,1116 4.566,1117 26.655,1118 2.794,1119 16.071,1120 20.272,1121 9.051,1122 32.662,1123 15.191,1124 1.046,1125 4.159,1126 28.496,1127 2.499,1128 17.161,1129 21.651,1130 9.674,1131 34.956,1132 16.212,1133 4417,1134 7791,1135 15.315,1136 24.932,1137 35.243,1138 35.055,1139 35.212,1140 34.537,1141 34.548,1142 47.397,1143 4.112,1144 98.189,1145 32.717,1146 5.19,1147 5.537,1148 6.099,1149 5.138,1150 5.082,1151 7.157,1152 3.306,1153 16.94,1154 4.89,1155 9.914,1156 1.532,1157 1.524,1158 1.531,1159 1.502,1160 1.502,1161 2.061,1162 0.179,1163 4.269,1164 1.422,1165 4.042,1166 4.079,1167 4.262,1168 3.988,1169 7.43,1170 3.962,1171 3.861,1172 3.902,1173 3.925,1174 3.747,1175 5.01,1176 3.732,1177 3.652,1178 3.696,1179 3.604,1180 3.532,1181 4.841,1182 3.529,1183 3.489,1184 3.535,1185 3.419,1186 3.28,1187 4.568,1188 3.297,1189 3.022,1190 3.114,1191 2.997,1192 2.895,1193 3.949,1194 2.82,1195 2.854,1196 2.925,1197 2.742,1198 2.735,1199 3.674,1200 2.715,1201 2.833,1202 2.898,1203 2.687,1204 2.706,1205 3.67,1206 2.707,1207 2.567,1208 2.663,1209 2.418,1210 2.271,1211 3.61,1212 2.258,1213 0.194,1214 0.154,1215 0.283,1216 0.175,1217 0.134,1218 4.451,1219 0.181,1220 3.537,1221 0.083,1222 6.502,1223 0.442,1224 4.014,1225 0.126,1226 3.082,1227 4.157,1228 1.907,1229 10.175,1230 2.89,1231 1.928,1232 1.905,1233 2.012,1234 2.016,1235 1.146,1236 2.018,1237 1.533,1238 1.478,1239 1.739,1240 1.789,1241 0.817,1242 1.77,1243 1.508,1244 1.475,1245 1.704,1246 1.675,1247 0.739,1248 1.687,1249 1.431,1250 1.383,1251 1.632,1252 1.577,1253 0.659,1254 1.599,1255 1.23,1256 1.173,1257 1.337,1258 1.499,1259 0.457,1260 1.47,1261 1.091,1262 1.041,1263 1.181,1264 1.267,1265 0.27,1266 1.307,1267 0.886,1268 0.821,1269 1.175,1270 1.062,1271 0.218,1272 1.107,1273 0.752,1274 0.666,1275 0.97,1276 0.942,1277 0.065,1278 0.987,1279 3.85,1281 5.165,1282 3.045,1283 6.65,1284 5.283,1285 8.217,1286 7.273,1287 9.83,1289 3.424,1296 2.724,1305 23.622,1306 59.619,1307 130.754,1308 148.405,1309 162.015,1310 162.015,1311 162.015,1312 25.652,1313 6.686,1314 59.81,1315 88.05,1316 16,1317 12.201,1318 4.17,1319 3.322,1320 32.334,1321 70,1322 63,1323 0.23,1324 151.361,1325 248.46,1326 361.08,1327 6158,1329 14.82,1330 0.706,1331 0.596,1332 15.173,1333 12.516,1334 10.131,1335 0.44,1336 0.318,1337 6.476,1338 9.322,1339 6.177,1340 5.17,1341 10.539,1342 7.304,1343 9.328,1344 0.291,1345 0.175,1346 9.97,1347 5.611,1348 7.335,1349 0.179,1350 0.1,1351 8.172,1352 4.1,1353 6.404,1354 0.119,1355 0.057,1356 7.369,1357 3.073,1358 4.323,1359 0.075,1360 0.031,1361 5.015,1362 1.782,1363 0.36,1364 67.292,1365 0.256,1366 20.976,1367 0.631,1368 110,1369 331.864,1370 147.248,1371 345.97,1372 477.91,1373 324,1374 128,1375 345.616,1376 161.428,1377 364.554,1378 529.34,1379 343,1380 7.523}
{0 CHEMBL2071334,1 1.693,2 8.526,3 1.78,4 3.168,5 75.774,6 8.314,7 0.55,8 3.577,9 3.681,10 3.291,11 3.215,12 4.762,13 3.155,14 4.058,15 4.22,16 3.705,17 3.55,18 5.259,19 3.476,20 4.19,21 4.338,22 3.655,23 3.624,24 5.439,25 3.529,26 4.204,27 4.358,28 3.649,29 3.644,30 5.402,31 3.499,32 4.187,33 4.393,34 3.31,35 3.479,36 5.265,37 3.341,38 4.057,39 4.311,40 3.077,41 3.264,42 5.024,43 3.125,44 3.866,45 4.066,46 3.124,47 3.109,48 5.068,49 3.007,50 3.839,51 4.057,52 2.869,53 2.978,54 5.109,55 2.861,56 0.027,57 0.464,58 6.053,59 3.146,60 5.096,61 3.692,62 0.153,63 0.747,64 13.05,65 5.197,66 16.88,67 6.447,68 0.252,69 0.815,70 15.271,71 5.836,72 43.987,73 6.125,74 0.183,75 0.844,76 19.725,77 7.399,78 25.224,79 7.934,80 0.201,81 0.82,82 19.002,83 6.376,84 27.735,85 7.254,86 0.126,87 0.669,88 13.588,89 5.223,90 20.594,91 7.012,92 0.158,93 0.535,94 11.679,95 4.335,96 25.798,97 5.097,98 0.171,99 0.511,100 13.494,101 4.631,102 28.749,103 5.419,104 31,105 28,106 0.315,107 0.638,108 0.687,109 0.79,110 0.813,111 0.813,112 3.01,113 0.998,114 -3.65,115 -3.62,116 -3.45,119 42.4,120 3,142 4,143 2,146 1,152 1,157 1,158 1,162 1,172 6,175 5,178 2,180 2,183 8,187 3,195 9,198 1,199 6,204 2,207 7,212 3,217 2,220 4,224 3,229 2,232 3,237 3,242 1,245 3,249 1,250 4,258 3,263 1,266 1,268 1,271 1,275 433,276 12.223,277 12.223,278 12.223,279 12.223,280 12.223,281 10.565,282 11.693,283 7.134,284 12.442,285 9.856,286 9.856,287 9.856,288 9.856,289 9.856,290 7.335,291 14.988,292 3.378,293 10.263,294 3.352,295 1.615,296 1.349,297 0.796,298 0.675,299 0.675,300 3.659,303 1,304 1,305 1,306 328,307 3.082,310 55.811,311 62.906,318 1.452,319 19.441,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 41,331 162,332 4.448,333 3.545,334 6.501,335 4.012,336 3.079,337 4.151,338 1.907,339 10.171,340 2.912,341 4.108,342 3.536,343 5.916,344 3.735,345 2.731,346 3.664,347 1.277,348 8.167,349 2.713,350 3.727,351 3.111,352 5.433,353 3.372,354 2.411,355 3.051,356 0.149,357 7.134,358 2.305,359 3.457,360 2.429,361 4.943,362 3.048,363 2.047,364 2.688,366 5.502,367 2.031,368 3.04,369 2.081,370 4.337,371 2.577,372 1.633,373 2.181,375 4.203,376 1.509,377 2.78,378 1.81,379 4,380 2.312,381 1.303,382 1.809,384 3.218,385 1.298,386 2.5,387 1.006,388 3.671,389 2,390 1,391 1.5,393 2.4,394 1,395 2.35,396 1,397 3.414,398 1.757,399 0.865,400 1.259,402 2.275,403 0.75,404 1.048,405 0.585,406 2.559,407 0.674,408 -0.265,409 -0.308,411 -0.703,412 -0.244,413 0.981,414 0.328,415 2.482,416 0.573,417 -0.391,418 -0.498,420 -0.959,421 -0.372,422 0.532,423 -0.007,424 2,425 0.155,426 -0.8,427 -0.972,428 -1.957,429 -0.74,430 0.5,431 -0.252,432 1.831,433 0.097,434 -1,435 -1.323,436 -2,437 -1,438 0.424,439 -0.554,440 1.694,441 0.089,442 -1,443 -1.398,445 -2,446 -1.089,447 0.371,448 -1,449 1.548,451 -1,452 -1.5,454 -3,455 -1.093,456 -0.05,457 -1.121,458 1.085,459 -0.446,460 -1.366,461 -1.741,463 -4.108,464 -1.251,465 9.3,466 0.489,467 0.617,468 0.032,469 25,470 1.316,471 13.5,472 0.711,473 11.5,474 0.605,475 14.11,476 0.743,477 20.1,478 0.609,479 15.939,480 0.839,481 4.92,482 0.259,483 4.049,484 0.213,485 0.233,487 0.376,493 0.623,494 1.119,495 0.724,496 0.892,497 0.562,498 0.886,499 0.465,500 1.013,501 0.648,502 0.889,503 0.506,504 0.774,505 1.549,506 0.882,507 1.178,508 0.867,509 1.467,510 0.934,511 0.727,512 1.329,513 1.505,514 1.534,515 0.725,516 1.265,517 1.004,518 1.119,519 1.447,520 1.266,521 0.804,522 1.157,523 0.588,524 0.948,525 0.662,526 0.83,527 0.479,528 0.967,529 1.148,530 1.007,531 0.831,532 0.977,533 1.244,534 1.015,535 1.028,536 1.12,537 1.155,538 1.229,539 1.129,540 1.09,541 5,542 0.066,543 2.222,544 1.694,545 0.917,546 0.764,547 0.33,548 0.262,549 0.157,550 0.071,551 2995,552 10003,553 1.935,554 42.4,556 4,559 1,560 9,564 1.601,565 1.754,566 3.082,567 -0.249,569 1,571 1,573 55.859,574 1.693,575 3.43,576 3.695,577 4.248,578 4.37,579 4.37,580 2.479,581 3.261,582 4.213,583 3.228,584 551.912,585 7.171,586 5435.35,587 1,588 1,590 1,591 166.465,592 1.568,593 4.14,594 0.25,595 0.017,596 0.079,597 0.065,598 0.038,599 0.04,600 0.022,601 0.019,602 0.013,603 0.014,604 0.558,605 0.67,606 1,607 1.296,608 82.76,609 -0.041,610 -0.041,611 0.051,612 0.047,613 -0.071,614 0.026,615 0.243,616 0.027,617 0.299,618 0.11,619 0.117,620 0.189,621 -0.363,622 0.186,623 -0.17,624 0.138,625 -0.272,626 -0.033,627 0.049,628 -0.281,629 -0.205,630 -0.297,631 0.031,632 -0.254,633 -0.181,634 -0.066,635 -0.328,636 -0.207,637 -0.104,638 -0.184,639 0.045,640 -0.038,641 0.112,642 0.007,643 0.065,644 0.032,645 -0.06,646 -0.087,647 0.066,648 -0.059,649 -0.084,650 -0.053,651 0.086,652 -0.217,653 -0.103,654 -0.222,655 0.079,656 -0.09,657 1.799,658 4.228,659 0.579,660 15.102,661 1.007,662 1.116,663 2.42,664 5.857,665 0.701,666 3.045,667 3.367,668 3.555,669 3.784,670 3.892,671 3.989,672 4.078,673 3.932,674 3.85,675 3.807,676 5.134,677 0.661,678 274.37,679 3.045,680 4.575,681 5.398,682 6.271,683 7.119,684 7.997,685 8.856,686 9.735,687 10.6,688 11.481,689 6.1,696 1,699 1,704 4,705 1,708 1,709 5,711 11,716 1,731 33,733 13,734 1,735 20,737 34,738 14,739 9,740 2,741 4,742 1,746 2,747 2,752 3,761 11,762 3,766 2,771 2,775 2,777 1,778 1,781 14,782 4,783 1,784 5,785 1,790 2,794 1,795 2,811 1,812 1,826 1,840 2,842 1,844 3,848 19,855 1,863 1,870 6.1,873 2,877 10.833,878 7.033,879 4.167,880 1.885,881 2.247,882 1.363,883 0.957,884 3.984,885 8.437,886 3.35,887 3.946,888 4.456,889 5.033,890 5.438,891 5.758,892 6.178,893 6.347,894 6.598,895 6.784,896 0.833,897 26,898 6.983,900 2.869,901 7.974,902 13.076,904 10.238,905 2.474,906 47,907 0.001,910 153.024,911 116.483,912 34.796,914 50.29,916 31.278,917 85.206,918 203.314,919 34.796,920 26.476,921 18.011,922 37.905,923 76.914,924 9.629,925 1.358,926 184.302,928 153.024,929 120.002,930 50.29,931 31.278,933 153.024,934 50.29,937 47.744,938 55.473,939 16.786,940 31.278,941 153.024,942 85.086,943 116.483,946 153.024,947 52.103,948 64.381,949 18.011,950 67.075,951 153.024,952 85.086,953 116.483,955 0.587,956 0.318,957 0.165,958 0.085,959 13,960 7,961 0.088,962 3,964 1,965 3.069,966 132.26,968 11,969 76.711,970 1,974 13.724,975 5.516,976 3.194,978 85.086,979 7.396,980 4.304,983 1.427,984 4.142,986 18.011,987 354.594,988 27.5,993 22.236,997 -0.085,999 33.236,1000 36.827,1001 0.336,1002 0.68,1003 0.733,1004 0.842,1005 0.866,1006 0.866,1007 4.572,1008 0.865,1009 5.407,1010 2.4,1011 4.043,1012 4.63,1013 2.333,1014 6.201,1015 3.969,1016 5.802,1017 -0.265,1018 6.965,1019 2.275,1020 3.761,1021 4.527,1022 1.593,1023 7.086,1024 3.681,1025 7.115,1026 -0.391,1027 8.619,1028 -0.703,1029 5.624,1030 6.805,1031 3.16,1032 10.131,1033 5.473,1034 8.46,1035 -0.8,1036 10.326,1037 -0.959,1038 6.089,1039 7.465,1040 3.032,1041 11.819,1042 5.916,1043 9.831,1044 -1,1045 12.067,1046 -1.957,1047 7.491,1048 9.264,1049 4.18,1050 14.39,1051 7.261,1052 11.222,1053 -1,1054 13.833,1055 -2,1056 8.292,1057 10.286,1058 4.409,1059 16.423,1060 8.022,1061 12.629,1062 -1,1063 15.616,1064 -2,1065 9.51,1066 11.878,1067 5.322,1068 18.824,1069 9.192,1070 3.079,1071 -1.366,1072 17.413,1073 -3,1074 10.47,1075 13.084,1076 5.75,1077 21.01,1078 10.1,1079 2.731,1080 10.171,1081 19.221,1082 -4.108,1083 11.614,1084 14.578,1085 6.535,1086 23.351,1087 11.198,1088 2.411,1089 8.167,1090 21.037,1091 4.151,1092 12.65,1093 15.881,1094 7.068,1095 25.606,1096 12.177,1097 2.047,1098 7.134,1099 22.861,1100 3.664,1101 13.767,1102 17.33,1103 7.787,1104 27.927,1105 13.245,1106 1.633,1107 5.502,1108 24.691,1109 3.051,1110 14.84,1111 18.684,1112 8.374,1113 30.214,1114 14.26,1115 1.303,1116 4.203,1117 26.526,1118 2.688,1119 15.949,1120 20.112,1121 9.058,1122 32.53,1123 15.316,1124 1,1125 3.218,1126 28.365,1127 2.181,1128 17.041,1129 21.493,1130 9.674,1131 34.832,1132 16.349,1133 3135,1134 5817,1135 12.542,1136 23.137,1137 30.822,1138 31.329,1139 31.63,1140 30.105,1141 30.14,1142 40.604,1143 6.667,1144 86.14,1145 29.035,1146 5.186,1147 5.545,1148 5.916,1149 5.132,1150 5.079,1151 7.151,1152 3.306,1153 16.927,1154 4.912,1155 11.93,1156 1.541,1157 1.566,1158 1.581,1159 1.505,1160 1.507,1161 2.03,1162 0.333,1163 4.307,1164 1.452,1165 4.006,1166 4.023,1167 4.261,1168 3.985,1169 7.431,1170 3.952,1171 3.773,1172 3.801,1173 3.817,1174 3.706,1175 7.427,1176 3.673,1177 3.519,1178 3.562,1179 3.438,1180 3.3,1181 4.868,1182 3.321,1183 3.369,1184 3.42,1185 3.268,1186 3.191,1187 4.615,1188 3.193,1189 3.019,1190 3.112,1191 2.996,1192 2.893,1193 3.951,1194 2.815,1195 2.854,1196 2.925,1197 2.687,1198 2.735,1199 3.778,1200 2.715,1201 2.764,1202 2.846,1203 2.601,1204 2.606,1205 3.674,1206 2.592,1207 2.555,1208 2.643,1209 2.376,1210 2.25,1211 3.67,1212 2.234,1213 0.222,1214 0.177,1215 0.325,1216 0.201,1217 0.154,1218 4.448,1219 0.208,1220 3.545,1221 0.095,1222 6.501,1223 0.509,1224 4.012,1225 0.146,1226 3.079,1227 4.151,1228 1.907,1229 10.171,1230 2.912,1231 1.936,1232 1.919,1233 2.025,1234 2.003,1235 1.151,1236 2.014,1237 1.536,1238 1.496,1239 1.744,1240 1.789,1241 0.831,1242 1.77,1243 1.514,1244 1.478,1245 1.715,1246 1.679,1247 0.739,1248 1.698,1249 1.338,1250 1.277,1251 1.635,1252 1.559,1253 0.677,1254 1.585,1255 1.13,1256 1.106,1257 1.181,1258 1.273,1259 0.421,1260 1.319,1261 0.886,1262 0.821,1263 1.177,1264 1.062,1265 0.218,1266 1.107,1267 0.812,1268 0.724,1269 1.069,1270 1.019,1271 0.167,1272 1.059,1273 0.465,1274 0.404,1275 0.681,1276 0.775,1278 0.746,1279 3.714,1281 5.03,1282 2.398,1283 6.518,1284 4.727,1285 8.084,1286 6.804,1287 9.694,1289 4.899,1296 2.68,1305 21.82,1306 55.859,1307 113.181,1308 121.936,1309 140.2,1310 144.2,1311 144.2,1312 33.162,1313 6.19,1314 59.06,1315 87.3,1316 11,1317 12.02,1318 3.807,1319 3.087,1320 33.748,1321 57,1322 52,1323 0.299,1324 142.497,1325 243.85,1326 339.452,1327 3064,1329 13.991,1330 0.736,1331 0.621,1332 14.345,1333 11.798,1334 8.969,1335 0.448,1336 0.333,1337 5.847,1338 8.254,1339 5.487,1340 4.618,1341 9.377,1342 6.652,1343 8.527,1344 0.305,1345 0.187,1346 9.169,1347 5.247,1348 6.211,1349 0.183,1350 0.11,1351 7.048,1352 3.755,1353 5.17,1354 0.12,1355 0.064,1356 6.135,1357 2.743,1358 3.602,1359 0.075,1360 0.034,1361 4.294,1362 1.618,1363 0.462,1364 59.869,1365 0.282,1366 19.033,1367 0.837,1368 96,1369 312.309,1370 131.217,1371 323.49,1372 431.91,1373 300,1374 110,1375 293.086,1376 140.316,1377 313.971,1378 453.34,1379 294,1380 6.721}
{0 CHEMBL2071335,1 1.854,2 11.037,3 1.325,4 1.755,5 102.864,6 8.693,7 0.379,8 3.959,9 4.058,10 3.818,11 3.561,12 5.078,13 3.497,14 4.512,15 4.659,16 4.159,17 3.948,18 5.859,19 3.877,20 4.749,21 4.925,22 4.136,23 4.052,24 5.973,25 3.958,26 4.772,27 4.942,28 4.143,29 4.012,30 6.081,31 3.927,32 4.733,33 4.942,34 3.904,35 3.874,36 6.081,37 3.769,38 4.553,39 4.799,40 3.892,41 3.79,42 5.578,43 3.63,44 4.371,45 4.539,46 3.996,47 3.716,48 5.639,49 3.616,50 4.331,51 4.464,52 3.722,53 3.66,54 5.686,55 3.588,56 0.138,57 0.751,58 10.679,59 4.922,60 24.459,61 5.194,62 0.488,63 1.205,64 21.992,65 8.337,66 70.239,67 9.609,68 0.635,69 1.385,70 28.512,71 10.295,72 91.99,73 11.27,74 0.639,75 1.406,76 33.492,77 10.793,78 93.305,79 11.515,80 0.84,81 1.278,82 28.733,83 9.153,84 139.083,85 10.629,86 0.461,87 1.133,88 31.238,89 9.456,90 61.488,91 10.724,92 0.449,93 1.005,94 25.355,95 7.548,96 49.064,97 7.816,98 0.342,99 0.936,100 21.633,101 7.288,102 44.548,103 7.736,104 54,105 43,106 0.316,107 0.675,108 0.818,109 0.847,110 0.847,111 0.847,112 3.34,113 1.14,114 -2.8,115 -2.81,116 -2.73,119 36.2,120 1,121 2,124 1,125 1,127 1,142 4,143 1,144 1,146 1,152 1,158 1,159 1,162 1,163 1,164 1,165 1,172 5,174 2,175 4,177 1,178 4,180 1,183 5,186 1,187 6,189 1,190 1,192 1,195 6,197 1,198 2,199 11,204 5,207 4,209 1,211 1,212 4,214 1,215 2,216 1,217 2,219 1,220 2,224 6,229 2,232 2,236 1,237 7,239 1,240 1,242 1,247 1,249 2,250 6,258 4,263 2,266 2,268 2,271 4,273 2,275 1077,276 17.264,277 17.264,278 17.264,279 17.264,280 17.264,281 15.343,282 19.1,283 9.769,284 17.872,285 14.275,286 14.275,287 14.275,288 14.275,289 14.275,290 11.24,291 22.667,292 4.574,293 15.343,294 3.701,295 1.593,296 0.756,297 0.585,298 0.585,299 0.585,300 4.009,304 1,305 1,306 623,307 4.062,310 168.393,311 94.151,318 1.893,319 44.003,322 1,323 1,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.88,330 60,331 298,332 4.802,333 5.18,334 7.111,335 4.186,336 3.317,337 4.662,338 2.95,339 11.659,340 2.945,341 4.435,342 3.85,343 6.614,344 4.047,345 3.105,346 4.128,347 1.946,348 10.452,349 2.903,350 4.187,351 3.53,352 6.495,353 3.962,354 3.028,355 3.376,356 1.692,357 10.142,358 2.76,359 3.793,360 3.121,361 5.563,362 3.39,363 2.436,364 3.258,365 0.585,366 7.312,367 2.317,368 3.576,369 2.665,370 5.293,371 3.172,372 2.19,373 2.79,374 0.085,375 6.339,376 2.122,377 3.232,378 2.515,379 4.881,380 2.794,381 1.851,382 2.457,384 5.307,385 1.728,386 2.984,387 2.307,388 4.584,389 2.562,390 1.582,391 2.125,393 4.558,394 1.54,395 2.794,396 1.981,397 4.134,398 2.453,399 1.488,400 1.769,402 3.554,403 1.409,404 2.5,405 1.278,406 3.891,407 2,408 1,409 1.5,411 2.675,412 1,413 2.374,414 1.184,415 3.455,416 1.785,417 0.917,418 1.313,420 2.275,421 0.775,422 1.903,423 1.117,424 3.414,425 1.746,426 0.763,427 0.828,428 1.93,429 0.74,430 1.854,431 1,432 3.283,433 1.702,434 0.72,435 0.77,436 1.741,437 0.701,438 1.048,439 0.696,440 2.832,441 0.637,442 -0.325,443 -0.403,445 -0.857,446 -0.3,447 1,448 0.409,449 2.646,450 0.553,451 -0.382,452 -0.486,454 -0.961,455 -0.356,456 0.98,457 0.143,458 2.37,459 0.137,460 -0.8,461 -0.976,463 -1.973,464 -0.712,465 13.1,466 0.485,467 1.008,468 0.037,469 34,470 1.259,471 16.5,472 0.611,473 17.5,474 0.648,475 24.026,476 0.89,477 30.1,478 0.64,479 26.19,480 0.97,481 6.264,482 0.232,483 6.4,484 0.237,485 0.209,486 0.064,487 0.336,493 0.61,494 1.286,495 0.801,496 1.081,497 0.645,498 0.918,499 0.497,500 1.062,501 0.868,502 1.025,503 0.468,504 0.9,505 1.16,506 0.95,507 1.015,508 0.908,509 1.104,510 0.971,511 1.178,512 1.231,513 1.212,514 1.241,515 1.167,516 1.123,517 1.187,518 0.899,519 0.976,520 0.809,521 1.124,522 1.005,523 0.769,524 0.9,525 0.856,526 0.805,527 0.614,528 0.807,529 0.925,530 1.07,531 1.221,532 1.28,533 0.872,534 0.96,535 0.968,536 1.419,537 1.449,538 1.571,539 0.908,540 1.33,541 7.5,542 0.156,543 4,544 2.5,545 1.697,546 0.914,547 0.634,548 0.543,549 0.424,550 0.161,551 8645,552 30031,553 1.963,554 42.6,556 10,559 3,560 3,561 4,564 1.698,565 1.77,566 3.42,567 1.055,568 1,569 1,573 87.14,574 1.854,575 3.962,576 4.799,577 4.969,578 4.969,579 4.969,580 2.908,581 4.208,582 4.726,583 3.643,584 1278.65,585 8.19,586 16682.2,588 1,591 261.066,592 1.74,593 4.637,594 0.259,595 0.009,596 0.093,597 0.061,598 0.042,599 0.029,600 0.023,601 0.018,602 0.015,603 0.008,604 0.557,605 0.33,606 1,607 0.959,608 134.915,609 -0.009,610 -0.059,611 0.148,612 0.03,613 -0.115,614 0.057,615 0.27,616 0.056,617 0.093,618 0.021,619 0.228,620 0.077,621 -0.18,622 0.077,623 -0.091,624 0.057,625 -0.136,626 -0.019,627 -0.139,628 -0.196,629 -0.167,630 -0.197,631 -0.123,632 -0.161,633 -0.105,634 0.071,635 -0.113,636 0.045,637 -0.064,638 -0.084,639 -0.042,640 0.085,641 0.209,642 0.217,643 -0.009,644 0.224,646 0.06,647 0.053,648 -0.058,649 -0.014,650 0.042,651 -0.043,652 -0.322,653 -0.387,654 -0.455,655 0.029,656 -0.354,657 4.174,658 5.449,659 0.593,660 25.72,661 1.02,662 1.127,663 1.573,664 2.473,665 0.686,666 3.401,667 3.784,668 4.007,669 4.234,670 4.304,671 4.394,672 4.533,673 4.585,674 4.635,675 4.71,676 6.767,677 0.65,678 408.55,679 3.401,680 4.977,681 5.826,682 6.725,683 7.591,684 8.487,685 9.36,686 10.254,687 11.131,688 12.024,689 8.5,696 3,699 1,704 4,705 1,708 1,709 5,711 11,731 47,733 15,734 1,735 29,737 49,738 17,739 9,740 2,741 4,746 3,747 3,751 1,752 1,755 3,758 3,761 11,762 6,766 4,769 1,771 4,775 2,778 1,781 20,782 8,783 3,784 10,785 2,790 4,794 1,795 4,808 1,811 2,812 1,825 1,840 3,842 2,844 2,848 27,849 1,851 1,854 3,855 1,858 1,859 1,863 1,870 8.5,873 4,877 15.25,878 8.9,879 5.722,880 2.636,881 2.316,882 1.322,883 0.978,884 5.656,885 9.506,886 3.676,887 4.301,888 4.737,889 5.255,890 5.626,891 5.957,892 6.416,893 6.648,894 6.945,895 7.224,896 1,897 41,898 10.203,900 4.64,901 8.157,902 18.692,904 15.716,905 2.657,906 71.75,910 200.109,911 116.752,912 70.818,914 94.603,916 37.324,917 79.428,918 294.712,919 70.818,920 16.016,921 61.207,922 43.951,923 116.093,924 7.994,925 5.634,926 231.386,928 200.109,929 150.246,930 94.603,931 37.324,933 153.024,934 141.687,937 73.29,938 60.171,939 22.831,940 31.278,941 200.109,942 165.421,943 116.752,945 6.046,946 200.109,947 56.785,948 57.045,949 18.011,950 144.286,951 200.109,952 165.421,953 116.752,955 0.604,956 0.343,957 0.174,958 0.081,959 21,960 11,961 0.082,962 4,964 1,965 3.761,966 225.986,968 16,969 122.382,970 1,973 1,974 19.93,975 7.663,976 4.37,978 165.421,979 6.52,980 4.365,983 1.287,984 3.019,986 50.908,987 482.281,988 38.5,991 -3.257,993 47.061,997 -0.909,999 47.938,1000 52.992,1001 0.334,1002 0.713,1003 0.864,1004 0.895,1005 0.895,1006 0.895,1007 4.954,1008 1.488,1009 5.883,1010 4.558,1011 4.466,1012 4.987,1013 3.405,1014 6.758,1015 4.327,1016 6.211,1017 1,1018 7.501,1019 3.554,1020 4.369,1021 5.173,1022 2.029,1023 7.962,1024 4.104,1025 7.574,1026 0.917,1027 9.226,1028 2.675,1029 6.18,1030 7.274,1031 5.208,1032 10.97,1033 5.867,1034 8.976,1035 0.763,1036 11.013,1037 2.275,1038 6.847,1039 8.243,1040 3.481,1041 12.94,1042 6.388,1043 10.409,1044 0.72,1045 12.84,1046 1.93,1047 8.222,1048 9.934,1049 7.252,1050 15.537,1051 7.709,1052 11.866,1053 -0.325,1054 14.692,1055 1.741,1056 9.187,1057 11.217,1058 4.839,1059 17.783,1060 8.533,1061 13.34,1062 -0.382,1063 16.564,1064 -0.857,1065 10.42,1066 12.783,1067 9.374,1068 20.255,1069 9.694,1070 3.317,1071 -0.8,1072 18.449,1073 -0.961,1074 11.504,1075 14.198,1076 6.163,1077 22.605,1078 10.649,1079 3.105,1080 11.659,1081 20.345,1082 -1.973,1083 12.689,1084 15.726,1085 11.521,1086 25.039,1087 11.749,1088 3.028,1089 10.452,1090 22.248,1091 4.662,1092 13.821,1093 17.199,1094 7.473,1095 27.432,1096 12.761,1097 2.436,1098 10.142,1099 24.159,1100 4.128,1101 14.992,1102 18.719,1103 13.679,1104 29.857,1105 13.837,1106 2.19,1107 7.312,1108 26.074,1109 3.376,1110 16.146,1111 20.218,1112 8.78,1113 32.269,1114 14.876,1115 1.851,1116 6.339,1117 27.994,1118 3.258,1119 17.314,1120 21.738,1121 15.84,1122 34.695,1123 15.944,1124 1.582,1125 5.307,1126 29.918,1127 2.79,1128 18.478,1129 23.252,1130 10.088,1131 37.117,1132 16.996,1133 8578,1134 16130,1135 18.205,1136 32.227,1137 45.005,1138 47.883,1139 46.264,1140 44.923,1141 44.794,1142 57.952,1143 14.516,1144 135.889,1145 41.882,1146 5.755,1147 7.18,1148 6.587,1149 5.331,1150 5.317,1151 7.662,1152 5.9,1153 18.634,1154 4.945,1155 17.937,1156 1.552,1157 1.651,1158 1.595,1159 1.549,1160 1.545,1161 1.998,1162 0.501,1163 4.686,1164 1.444,1165 4.095,1166 4.079,1167 4.735,1168 4.11,1169 7.716,1170 4.02,1171 3.92,1172 3.957,1173 4.254,1174 3.877,1175 7.439,1176 3.787,1177 3.84,1178 3.846,1179 3.805,1180 3.714,1181 7.427,1182 3.715,1183 3.565,1184 3.579,1185 3.628,1186 3.489,1187 6.999,1188 3.433,1189 3.351,1190 3.407,1191 3.286,1192 3.056,1193 4.887,1194 3.099,1195 3.28,1196 3.342,1197 3.154,1198 3.028,1199 4.862,1200 3.05,1201 2.962,1202 3.032,1203 2.985,1204 2.822,1205 4.603,1206 2.761,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 4.224,1212 2.715,1213 0.166,1214 0.179,1215 0.245,1216 0.144,1217 0.114,1218 4.802,1219 0.161,1220 5.18,1221 0.102,1222 7.111,1223 0.402,1224 4.186,1225 0.102,1226 3.317,1227 4.662,1228 2.95,1229 11.659,1230 2.945,1231 1.985,1232 1.998,1233 1.996,1234 2.026,1235 1.233,1236 2.076,1237 1.634,1238 1.646,1239 1.861,1240 1.872,1241 1.215,1242 1.841,1243 1.626,1244 1.587,1245 1.73,1246 1.778,1247 0.985,1248 1.793,1249 1.557,1250 1.494,1251 1.706,1252 1.728,1253 0.93,1254 1.779,1255 1.421,1256 1.369,1257 1.579,1258 1.618,1259 0.741,1260 1.642,1261 1.274,1262 1.252,1263 1.338,1264 1.509,1265 0.461,1266 1.499,1267 0.979,1268 0.931,1269 1.224,1270 1.293,1271 0.222,1272 1.301,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.078,1281 5.442,1282 3.045,1283 6.973,1284 5.352,1285 8.576,1286 7.402,1287 10.219,1289 2.972,1293 5.35,1295 1.775,1296 2.726,1299 -0.589,1300 1.43,1305 30.533,1306 87.14,1307 186.205,1308 225.556,1309 233.556,1310 233.556,1311 233.556,1312 73.641,1313 7.19,1314 122.46,1315 159.08,1316 16,1317 12.554,1318 4,1319 3.392,1320 47.172,1321 111,1322 91,1323 0.212,1324 196.592,1325 341.48,1326 471.445,1327 12250,1329 19.767,1330 0.732,1331 0.613,1332 20.371,1333 16.562,1334 12.664,1335 0.437,1336 0.38,1337 8.429,1338 10.955,1339 7.94,1340 6.568,1341 13.966,1342 11.022,1343 12.672,1344 0.295,1345 0.219,1346 14.701,1347 9.429,1348 9.561,1349 0.177,1350 0.123,1351 11.155,1352 6.648,1353 7.929,1354 0.117,1355 0.068,1356 9.375,1357 4.632,1358 5.464,1359 0.075,1360 0.037,1361 6.555,1362 2.666,1363 0.336,1364 92.806,1365 0.234,1366 26.04,1367 0.572,1368 144,1369 485.598,1370 220.228,1371 505.45,1372 666.75,1373 462,1374 169,1375 437.825,1376 246.224,1377 488.555,1378 708.46,1379 455,1380 6.728}
{0 CHEMBL2071336,1 1.976,2 11.071,3 1.53,4 2.342,5 103.08,6 9.075,7 0.367,8 3.968,9 4.064,10 3.85,11 3.559,12 5.139,13 3.509,14 4.523,15 4.665,16 4.205,17 3.946,18 5.925,19 3.893,20 4.766,21 4.935,22 4.244,23 4.047,24 6.052,25 3.983,26 4.801,27 4.958,28 4.271,29 4.007,30 6.362,31 3.962,32 4.759,33 4.958,34 4.019,35 3.868,36 6.189,37 3.797,38 4.57,39 4.809,40 3.984,41 3.787,42 5.734,43 3.658,44 4.397,45 4.557,46 4.034,47 3.713,48 5.764,49 3.632,50 4.344,51 4.472,52 3.76,53 3.658,54 5.737,55 3.601,56 0.187,57 0.819,58 9.596,59 4.953,60 33.717,61 4.902,62 0.563,63 1.302,64 21.027,65 8.38,66 84.256,67 9.198,68 0.827,69 1.559,70 27.949,71 10.41,72 131.213,73 10.474,74 1.022,75 1.587,76 33.02,77 10.882,78 172.385,79 10.78,80 1.097,81 1.452,82 28.768,83 9.291,84 180.317,85 9.574,86 0.643,87 1.245,88 31.386,89 9.481,90 87.19,91 10.422,92 0.633,93 1.115,94 24.962,95 7.599,96 80.032,97 7.21,98 0.447,99 0.996,100 21.14,101 7.321,102 64.95,103 7.325,104 69,105 45,106 0.337,107 0.698,108 0.844,109 0.875,110 0.875,111 0.875,112 3.374,113 1.113,114 -3.19,115 -3.18,116 -3.06,119 36.2,120 1,121 2,124 1,125 1,127 1,142 3,143 1,144 2,146 1,152 1,158 1,159 1,162 1,163 1,164 1,165 1,172 4,174 2,175 4,177 1,178 4,180 1,183 3,186 1,187 4,189 1,190 1,192 1,195 5,197 1,198 2,199 11,204 5,207 3,209 1,211 1,212 3,214 1,215 2,216 1,217 2,219 1,220 1,224 6,229 1,232 2,236 1,237 7,239 1,240 1,242 1,247 1,249 2,250 4,258 4,263 2,266 2,268 2,271 4,273 2,275 1170,276 17.764,277 17.764,278 17.764,279 17.764,280 17.764,281 15.79,282 19.805,283 9.993,284 18.414,285 14.763,286 14.763,287 14.763,288 14.763,289 14.763,290 11.638,291 22.926,292 4.679,293 15.928,294 3.579,295 1.455,296 0.601,297 0.415,298 0.415,299 0.415,300 4.042,304 1,305 1,306 646,307 4.123,310 174.86,311 98.018,318 1.862,319 55.898,322 1,323 1,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.88,330 63.5,331 310,332 4.844,333 5.193,334 7.236,335 4.252,336 3.377,337 4.709,338 2.95,339 12.157,340 2.968,341 4.44,342 3.85,343 6.614,344 4.047,345 3.105,346 4.136,347 1.946,348 10.453,349 2.94,350 4.188,351 3.53,352 6.502,353 3.963,354 3.029,355 3.487,356 1.692,357 10.17,358 2.771,359 3.899,360 3.174,361 5.593,362 3.422,363 2.485,364 3.317,365 0.585,366 7.461,367 2.326,368 3.621,369 2.984,370 5.462,371 3.249,372 2.276,373 2.842,374 0.085,375 6.776,376 2.181,377 3.369,378 2.517,379 5.196,380 2.927,381 1.998,382 2.614,384 6.038,385 1.829,386 3.044,387 2.308,388 4.8,389 2.68,390 1.72,391 2.196,393 4.914,394 1.642,395 2.796,396 2.16,397 4.135,398 2.472,399 1.496,400 1.849,402 3.555,403 1.429,404 2.747,405 1.953,406 4.047,407 2.25,408 1.283,409 1.769,411 3.293,412 1.231,413 2.375,414 1.278,415 3.897,416 1.785,417 0.917,418 1.313,420 2.711,421 0.776,422 1.903,423 1.145,424 3.455,425 1.746,426 0.763,427 0.828,428 1.931,429 0.741,430 1.854,431 1.116,432 3.283,433 1.702,434 0.72,435 0.77,436 1.741,437 0.701,438 1.197,439 0.776,440 2.952,441 0.74,442 -0.145,443 -0.182,445 -0.363,446 -0.123,447 1.024,448 0.412,449 2.656,450 0.635,451 -0.337,452 -0.413,454 -0.88,455 -0.32,456 1,457 0.218,458 2.551,459 0.365,460 -0.545,461 -0.669,463 -1.447,464 -0.484,465 13.386,466 0.478,467 1.098,468 0.039,469 34.75,470 1.241,471 16.5,472 0.589,473 18.25,474 0.652,475 25.663,476 0.917,477 31.614,478 0.673,479 28.213,480 1.008,481 6.483,482 0.232,483 6.591,484 0.235,485 0.226,486 0.062,487 0.366,491 1,493 0.593,494 1.166,495 0.777,496 1.08,497 0.62,498 0.908,499 0.524,500 1.011,501 0.842,502 1.025,503 0.488,504 0.884,505 1.111,506 1,507 0.954,508 0.913,509 1.102,510 0.95,511 1.07,512 1.262,513 1.171,514 1.242,515 1.027,516 1.098,517 1.299,518 0.988,519 0.994,520 0.813,521 1.245,522 1.018,523 0.735,524 0.888,525 0.818,526 0.808,527 0.626,528 0.781,529 1.047,530 1.003,531 1.294,532 1.273,533 1.018,534 0.998,535 0.942,536 1.271,537 1.458,538 1.564,539 0.897,540 1.351,541 8,542 0.182,543 4.222,544 3.063,545 1.888,546 1,547 0.73,548 0.543,549 0.448,550 0.181,551 9302,552 35142,553 1.944,554 40.4,556 9,559 3,560 3,561 4,564 1.708,565 1.741,566 3.426,567 1.059,568 1,569 1,573 92.868,574 1.976,575 4.1,576 4.953,577 5.139,578 5.139,579 5.139,580 2.91,581 4.423,582 4.78,583 3.647,584 1378.46,585 8.301,586 18335.8,588 1,590 1,591 261.066,592 1.745,593 4.681,594 0.267,595 0.01,596 0.094,597 0.07,598 0.042,599 0.03,600 0.024,601 0.018,602 0.015,603 0.008,604 0.576,605 0.33,606 1,607 0.96,608 141.185,609 -0.025,610 -0.057,611 0.132,612 0.03,613 -0.094,614 0.058,615 0.19,616 0.006,617 0.096,618 0.018,619 0.184,620 0.093,621 -0.169,622 -0.005,623 -0.038,624 0.051,625 -0.163,627 0.005,628 -0.179,629 -0.134,630 -0.196,631 0.051,632 -0.148,633 -0.183,634 0.038,635 -0.124,636 0.044,637 -0.149,638 -0.106,639 0.017,640 0.037,641 0.253,642 0.211,643 0.03,644 0.264,645 -0.061,646 0.161,647 -0.042,648 -0.05,649 -0.082,650 -0.01,651 -0.089,652 -0.246,653 -0.422,654 -0.45,655 -0.027,656 -0.378,657 4.579,658 6.188,659 0.571,660 26.556,661 1.031,662 1.135,663 1.96,664 3.842,665 0.684,666 3.434,667 3.829,668 4.06,669 4.317,670 4.357,671 4.466,672 4.595,673 4.682,674 4.7,675 4.779,676 6.799,677 0.658,678 426.54,679 3.434,680 5.017,681 5.872,682 6.781,683 7.651,684 8.558,685 9.434,686 10.339,687 11.218,688 12.122,689 8.5,696 3,699 1,704 3,705 1,708 1,709 6,711 11,730 1,731 47,733 15,734 1,735 30,737 49,738 17,739 9,740 3,741 3,746 3,747 3,751 1,752 1,755 3,758 3,761 11,762 6,766 4,769 1,771 4,775 2,778 1,779 1,781 19,782 9,783 3,784 11,785 2,790 4,794 1,795 4,808 1,811 2,812 1,825 1,840 3,842 2,844 2,846 1,848 28,849 1,851 1,854 3,855 1,858 1,859 1,863 1,869 1,870 8.5,873 4,877 16.083,878 8.96,879 5.917,880 2.623,881 2.319,882 1.319,883 0.978,884 5.849,885 9.591,886 3.701,887 4.341,888 4.789,889 5.337,890 5.685,891 6.04,892 6.484,893 6.774,894 7.019,895 7.303,896 1,897 44,898 10.701,900 5.028,901 8.336,902 19.113,904 16.09,905 2.836,906 79.417,910 188.338,911 116.396,912 70.818,914 94.603,915 14.96,916 37.324,917 79.073,918 282.94,919 85.778,920 16.016,921 61.207,922 34.475,923 116.093,924 17.115,925 20.594,926 219.615,928 188.338,929 149.891,930 109.563,931 37.324,933 156.213,934 141.687,937 73.29,938 59.815,939 22.831,940 31.278,941 203.298,942 165.421,943 116.396,945 6.046,946 188.338,947 65.906,948 47.569,949 18.011,950 159.246,951 188.338,952 180.381,953 116.396,955 0.607,956 0.347,957 0.183,958 0.082,959 22,960 12,961 0.082,962 4,964 1,965 3.787,966 240.254,968 16,969 132.606,970 1,973 1,974 20.841,975 7.858,976 4.426,978 180.381,979 3.834,980 4.272,983 1.129,984 0.678,986 50.908,987 485.115,988 39.5,991 -3.663,993 47.013,997 -1.023,999 48.451,1000 53.332,1001 0.356,1002 0.738,1003 0.892,1004 0.925,1005 0.925,1006 0.925,1007 4.989,1008 1.496,1009 5.938,1010 4.914,1011 4.511,1012 5.027,1013 3.405,1014 6.828,1015 4.363,1016 6.254,1017 1.283,1018 7.564,1019 3.555,1020 4.443,1021 5.247,1022 2.029,1023 8.04,1024 4.171,1025 7.624,1026 0.917,1027 9.296,1028 3.293,1029 6.236,1030 7.329,1031 5.208,1032 11.076,1033 5.914,1034 9.03,1035 0.763,1036 11.09,1037 2.711,1038 6.919,1039 8.316,1040 3.481,1041 13.057,1042 6.454,1043 10.468,1044 0.72,1045 12.922,1046 1.931,1047 8.289,1048 9.999,1049 7.252,1050 15.687,1051 7.767,1052 11.928,1053 -0.145,1054 14.781,1055 1.741,1056 9.267,1057 11.295,1058 4.839,1059 17.958,1060 8.606,1061 13.406,1062 -0.337,1063 16.66,1064 -0.363,1065 10.502,1066 12.86,1067 9.374,1068 20.467,1069 9.766,1070 3.377,1071 -0.545,1072 18.553,1073 -0.88,1074 11.6,1075 14.286,1076 6.163,1077 22.852,1078 10.733,1079 3.105,1080 12.157,1081 20.458,1082 -1.447,1083 12.793,1084 15.818,1085 11.521,1086 25.327,1087 11.837,1088 3.029,1089 10.453,1090 22.373,1091 4.709,1092 13.939,1093 17.301,1094 7.473,1095 27.761,1096 12.861,1097 2.485,1098 10.17,1099 24.295,1100 4.136,1101 15.123,1102 18.827,1103 13.679,1104 30.23,1105 13.943,1106 2.276,1107 7.461,1108 26.223,1109 3.487,1110 16.291,1111 20.337,1112 8.78,1113 32.686,1114 14.993,1115 1.998,1116 6.776,1117 28.157,1118 3.317,1119 17.475,1120 21.866,1121 15.84,1122 35.158,1123 16.068,1124 1.72,1125 6.038,1126 30.096,1127 2.842,1128 18.654,1129 23.389,1130 10.088,1131 37.628,1132 17.13,1133 9261,1134 18166,1135 18.611,1136 32.165,1137 46.56,1138 50.131,1139 48.435,1140 46.51,1141 46.339,1142 59.659,1143 14.516,1144 142.398,1145 43.067,1146 5.796,1147 7.193,1148 6.712,1149 5.397,1150 5.377,1151 7.709,1152 5.9,1153 19.627,1154 4.968,1155 19.5,1156 1.552,1157 1.671,1158 1.615,1159 1.55,1160 1.545,1161 1.989,1162 0.484,1163 4.747,1164 1.436,1165 4.101,1166 4.084,1167 4.737,1168 4.11,1169 8.201,1170 4.023,1171 3.921,1172 3.958,1173 4.255,1174 3.877,1175 7.715,1176 3.788,1177 3.84,1178 3.846,1179 3.805,1180 3.714,1181 7.439,1182 3.715,1183 3.572,1184 3.583,1185 3.662,1186 3.488,1187 7.427,1188 3.436,1189 3.352,1190 3.407,1191 3.288,1192 3.056,1193 6.999,1194 3.099,1195 3.28,1196 3.342,1197 3.156,1198 3.028,1199 4.885,1200 3.05,1201 2.964,1202 3.034,1203 2.985,1204 2.822,1205 4.849,1206 2.763,1207 2.898,1208 2.956,1209 2.825,1210 2.733,1211 4.508,1212 2.734,1213 0.161,1214 0.173,1215 0.241,1216 0.142,1217 0.113,1218 4.844,1219 0.157,1220 5.193,1221 0.098,1222 7.236,1223 0.405,1224 4.252,1225 0.099,1226 3.377,1227 4.709,1228 2.95,1229 12.157,1230 2.968,1231 1.979,1232 1.995,1233 1.97,1234 2.028,1235 1.226,1236 2.069,1237 1.634,1238 1.645,1239 1.861,1240 1.872,1241 1.215,1242 1.841,1243 1.626,1244 1.587,1245 1.729,1246 1.778,1247 0.985,1248 1.793,1249 1.557,1250 1.494,1251 1.703,1252 1.728,1253 0.93,1254 1.779,1255 1.419,1256 1.367,1257 1.578,1258 1.619,1259 0.735,1260 1.64,1261 1.273,1262 1.251,1263 1.338,1264 1.509,1265 0.455,1266 1.499,1267 0.978,1268 0.93,1269 1.224,1270 1.293,1271 0.222,1272 1.3,1273 0.863,1274 0.805,1275 1.128,1276 1.069,1277 0.13,1278 1.1,1279 4.111,1281 5.485,1282 3.045,1283 7.024,1284 5.352,1285 8.641,1286 7.402,1287 10.3,1289 2.639,1291 14.188,1293 5.328,1295 1.64,1296 2.647,1299 -0.641,1300 1.374,1305 30.917,1306 92.868,1307 192.695,1308 232.801,1309 241.556,1310 241.556,1311 241.556,1312 90.983,1313 7.272,1314 122.46,1315 159.08,1316 16,1317 12.646,1318 4,1319 3.392,1320 49.851,1321 116,1322 92,1323 0.215,1324 197.79,1325 347.55,1326 474.369,1327 13425,1328 2.1,1329 20.637,1330 0.737,1331 0.602,1332 20.371,1333 16.863,1334 13.074,1335 0.436,1336 0.371,1337 8.51,1338 11.274,1339 8.041,1340 6.628,1341 13.966,1342 11.128,1343 13.217,1344 0.294,1345 0.212,1346 14.701,1347 9.518,1348 9.886,1349 0.173,1350 0.118,1351 11.155,1352 6.698,1353 8.629,1354 0.117,1355 0.065,1356 9.375,1357 4.81,1358 5.606,1359 0.073,1360 0.034,1361 6.555,1362 2.654,1363 0.339,1364 96.136,1365 0.232,1366 26.74,1367 0.583,1368 150,1369 579.709,1370 230.058,1371 567.552,1372 738.78,1373 518,1374 177,1375 482.158,1376 260.359,1377 526.255,1378 766.27,1379 490,1380 7.301}
{0 CHEMBL2071337,1 2.073,2 11.258,3 2.267,4 5.14,5 108.837,6 9.531,7 0.333,8 4.04,9 4.132,10 3.935,11 3.604,12 5.243,13 3.575,14 4.624,15 4.762,16 4.358,17 3.995,18 6.365,19 3.97,20 4.823,21 4.984,22 4.336,23 4.125,24 6.164,25 4.074,26 4.914,27 5.062,28 4.509,29 4.123,30 6.352,31 4.109,32 4.961,33 5.132,34 4.389,35 4.004,36 6.838,37 4.004,38 4.793,39 5.024,40 4.262,41 3.91,42 6.097,43 3.83,44 4.534,45 4.681,46 4.258,47 3.8,48 6.09,49 3.777,50 4.538,51 4.693,52 3.893,53 3.723,54 6.05,55 3.691,56 0.295,57 1.003,58 8.631,59 5.359,60 64.122,61 4.904,62 1.194,63 1.903,64 21.911,65 9.116,66 215.402,67 9.321,68 1.062,69 1.748,70 25.696,71 11.014,72 176.851,73 10.88,74 1.19,75 2.064,76 37.456,77 12.769,78 219.771,79 11.238,80 2.088,81 1.959,82 30.343,83 10.93,84 389.867,85 10.34,86 1.363,87 1.817,88 42.547,89 12.002,90 222.063,91 10.802,92 0.814,93 1.511,94 24.287,95 8.256,96 114.663,97 7.569,98 1.026,99 1.299,100 25.674,101 8.266,102 152.668,103 7.526,104 110,105 51,106 0.349,107 0.704,108 0.839,109 0.868,110 0.868,111 0.868,112 3.472,113 1.069,114 -3.65,115 -3.62,116 -3.45,119 36,120 1,121 2,124 1,125 1,127 1,132 1,142 3,143 2,144 1,146 1,152 1,158 1,159 1,162 1,163 1,164 1,165 1,172 5,174 2,175 4,177 1,178 4,180 1,183 5,186 1,187 6,189 1,190 1,192 1,195 6,197 1,198 2,199 11,204 5,207 4,209 1,211 1,212 4,214 1,215 2,216 1,217 2,219 1,220 2,224 6,229 2,232 2,236 1,237 7,239 1,240 1,242 1,247 1,249 2,250 6,258 4,263 2,266 2,268 2,271 4,273 2,275 1569,276 19.236,277 19.236,278 19.236,279 19.236,280 19.236,281 17.353,282 22.284,283 10.698,284 20.084,285 16.257,286 16.257,287 16.257,288 16.257,289 16.257,290 13.185,291 25.597,292 5.032,293 17.791,294 3.57,295 1.463,296 0.66,297 0.485,298 0.485,299 0.485,300 4.136,304 1,305 1,306 721,307 4.796,310 195.166,311 110.589,318 1.863,319 76.669,322 1,323 0.83,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.85,330 72.5,331 349,332 4.889,333 5.198,334 7.472,335 4.401,336 3.519,337 4.728,338 3.825,339 13.094,340 3.114,341 4.456,342 4.447,343 6.876,344 4.047,345 3.111,346 4.142,347 2.95,348 10.832,349 2.943,350 4.309,351 3.85,352 6.614,353 3.969,354 3.092,355 3.696,356 1.946,357 10.451,358 2.787,359 4.182,360 3.53,361 6.493,362 3.91,363 3.019,364 3.336,365 1.692,366 10.132,367 2.547,368 3.741,369 3.124,370 5.565,371 3.379,372 2.428,373 3.051,374 0.585,375 7.337,376 2.307,377 3.553,378 2.722,379 5.32,380 3.153,381 2.184,382 2.759,383 0.085,384 6.426,385 2.073,386 3.212,387 2.516,388 5.05,389 2.79,390 1.859,391 2.401,393 5.672,394 1.712,395 2.984,396 2.307,397 4.782,398 2.573,399 1.614,400 2.119,402 4.827,403 1.524,404 2.794,405 1.988,406 4.135,407 2.458,408 1.491,409 1.769,411 3.554,412 1.409,413 2.579,414 1.514,415 4.04,416 2.106,417 1.136,418 1.611,420 3.032,421 1.086,422 2.375,423 1.278,424 3.899,425 1.785,426 0.917,427 1.313,428 2.707,429 0.776,430 1.903,431 1.133,432 3.455,433 1.746,434 0.763,435 0.828,436 1.931,437 0.74,438 1.854,439 1.116,440 3.283,441 1.702,442 0.72,443 0.77,445 1.741,446 0.701,447 1.085,448 0.75,449 3.032,450 0.644,451 -0.288,452 -0.366,454 -0.81,455 -0.258,456 1.011,457 0.51,458 2.707,459 0.617,460 -0.346,461 -0.427,463 -0.906,464 -0.33,465 14.457,466 0.466,467 1.386,468 0.045,469 36.75,470 1.185,471 16.5,472 0.532,473 20.25,474 0.653,475 30.649,476 0.989,477 35.943,478 0.719,479 33.974,480 1.096,481 6.959,482 0.224,483 7.327,484 0.236,485 0.248,486 0.092,487 0.339,490 3,493 0.585,494 1.06,495 0.745,496 1.091,497 0.636,498 0.914,499 0.409,500 0.769,501 0.789,502 0.98,503 0.395,504 0.868,505 0.855,506 0.839,507 0.917,508 0.898,509 0.835,510 0.964,511 1.023,512 1.229,513 1.148,514 1.374,515 1.067,516 1.113,517 1.056,518 1.098,519 0.902,520 0.827,521 0.984,522 1.006,523 1.19,524 1.108,525 1.006,526 0.892,527 1.087,528 0.792,529 0.86,530 1.126,531 1.124,532 1.344,533 0.846,534 1.033,535 1.163,536 1.027,537 1.51,538 1.351,539 1.142,540 1.29,541 10,542 0.231,543 4.889,544 3.438,545 2.826,546 1.354,547 0.945,548 0.728,549 0.473,550 0.261,551 11645,552 49461,553 1.906,554 38,556 9,559 3,560 3,561 4,564 1.737,565 1.691,566 3.442,567 1.036,569 1,573 103.669,574 2.073,575 4.181,576 4.983,577 5.159,578 5.159,579 5.159,580 2.865,581 4.518,582 4.928,583 3.669,584 1706.18,585 8.609,586 24234.9,591 282.193,592 1.826,593 4.809,594 0.303,595 0.009,596 0.096,597 0.069,598 0.052,599 0.028,600 0.026,601 0.018,602 0.014,603 0.01,604 0.626,605 0.33,606 0.88,607 1.012,608 160.695,609 -0.035,610 -0.053,611 0.108,612 0.03,613 -0.101,614 0.057,615 0.381,616 0.264,617 0.13,618 0.072,619 0.371,620 0.103,621 -0.127,622 -0.023,623 -0.04,624 0.068,625 -0.092,626 0.015,627 -0.129,628 -0.253,629 -0.069,630 -0.257,631 -0.16,632 -0.128,633 0.092,634 -0.068,635 -0.049,636 0.023,637 0.175,638 -0.114,639 -0.179,640 -0.012,641 0.177,642 0.196,643 -0.159,644 0.26,645 0.019,646 -0.069,647 0.028,648 -0.165,649 0.004,650 -0.06,651 -0.148,652 0.109,653 -0.487,654 -0.271,655 -0.142,656 -0.342,657 6.121,658 5.486,659 0.516,660 30.633,661 1.047,662 1.149,663 2.425,664 5.88,665 0.676,666 3.526,667 3.951,668 4.159,669 4.431,670 4.564,671 4.595,672 4.762,673 4.836,674 4.942,675 4.942,676 7.002,677 0.664,678 476.55,679 3.526,680 5.13,681 5.984,682 6.909,683 7.787,684 8.705,685 9.594,686 10.508,687 11.403,688 12.314,689 8,696 3,699 1,704 3,705 1,708 1,709 6,711 11,731 50,733 15,734 1,735 33,737 52,738 18,739 9,740 3,741 3,746 3,747 3,751 1,752 2,755 3,757 1,758 3,761 11,762 7,766 4,769 1,771 4,775 2,779 3,781 19,782 11,783 3,784 13,785 2,790 4,794 1,795 4,808 1,811 2,812 1,825 1,840 3,842 2,844 2,846 3,848 31,849 1,851 1,854 3,855 1,858 1,859 1,860 1,863 1,869 3,870 8,873 4,877 18.333,878 9.495,879 6.417,880 2.757,881 2.321,882 1.31,883 0.974,884 6.479,885 9.81,886 3.773,887 4.416,888 4.861,889 5.42,890 5.84,891 6.154,892 6.628,893 6.912,894 7.265,895 7.452,896 1,897 50,898 12.673,900 6.694,901 8.618,902 20.715,904 17.457,905 3.118,906 96.667,910 188.338,911 118.22,912 70.818,914 94.603,915 44.88,916 37.324,917 80.897,918 282.94,919 115.698,920 16.016,921 61.207,922 34.475,923 116.093,924 56.06,925 5.634,926 219.615,927 7.76,928 188.338,929 151.715,930 139.483,931 37.324,933 141.253,934 186.568,937 81.049,938 53.88,939 22.831,940 31.278,941 233.218,942 165.421,943 118.22,945 6.046,946 196.097,947 59.971,948 47.569,949 18.011,950 189.166,951 188.338,952 210.301,953 118.22,955 0.615,956 0.341,957 0.178,958 0.095,959 25,960 14,961 0.077,962 4,964 1,965 3.913,966 281.788,968 16,969 146.825,970 1,973 1,974 23.646,975 8.494,976 5.082,978 210.301,979 2.931,980 4.176,983 0.939,984 -1.139,986 50.908,987 516.859,988 42.5,991 -4.091,993 47.453,997 -1.195,999 52.36,1000 57.427,1001 0.367,1002 0.741,1003 0.883,1004 0.914,1005 0.914,1006 0.914,1007 5.086,1008 1.614,1009 6.084,1010 5.672,1011 4.635,1012 5.103,1013 3.911,1014 7.011,1015 4.464,1016 6.368,1017 1.491,1018 7.738,1019 4.827,1020 4.691,1021 5.366,1022 4.028,1023 8.364,1024 4.35,1025 7.752,1026 1.136,1027 9.502,1028 3.554,1029 6.428,1030 7.404,1031 6.011,1032 11.383,1033 6.055,1034 9.17,1035 0.917,1036 11.329,1037 3.032,1038 7.201,1039 8.409,1040 6.728,1041 13.463,1042 6.652,1043 10.617,1044 0.763,1045 13.194,1046 2.707,1047 8.556,1048 10.074,1049 8.427,1050 16.122,1051 7.954,1052 12.085,1053 0.72,1054 15.086,1055 1.931,1056 9.593,1057 11.374,1058 9.399,1059 18.468,1060 8.834,1061 13.57,1062 -0.288,1063 16.996,1064 1.741,1065 10.836,1066 12.931,1067 10.963,1068 21.028,1069 9.999,1070 3.519,1071 -0.346,1072 18.919,1073 -0.81,1074 11.975,1075 14.357,1076 12.077,1077 23.483,1078 11,1079 3.111,1080 13.094,1081 20.854,1082 -0.906,1083 13.188,1084 15.886,1085 13.557,1086 26.022,1087 12.118,1088 3.092,1089 10.832,1090 22.797,1091 4.728,1092 14.37,1093 17.368,1094 14.759,1095 28.527,1096 13.173,1097 3.019,1098 10.451,1099 24.748,1100 4.142,1101 15.58,1102 18.894,1103 16.185,1104 31.066,1105 14.277,1106 2.428,1107 10.132,1108 26.704,1109 3.696,1110 16.783,1111 20.404,1112 17.441,1113 33.597,1114 15.358,1115 2.184,1116 7.337,1117 28.666,1118 3.336,1119 17.998,1120 21.934,1121 18.834,1122 36.144,1123 16.461,1124 1.859,1125 6.426,1126 30.632,1127 3.051,1128 19.213,1129 23.459,1130 20.124,1131 38.69,1132 17.555,1133 11673,1134 24289,1135 19.997,1136 33.801,1137 52.176,1138 54.256,1139 53.602,1140 52.002,1141 51.707,1142 65.047,1143 22.167,1144 163.474,1145 47.437,1146 5.841,1147 7.198,1148 6.947,1149 5.546,1150 5.519,1151 7.728,1152 6.775,1153 21.211,1154 5.114,1155 23.108,1156 1.581,1157 1.644,1158 1.624,1159 1.576,1160 1.567,1161 1.971,1162 0.672,1163 4.954,1164 1.437,1165 4.113,1166 4.097,1167 4.737,1168 4.122,1169 8.513,1170 4.04,1171 3.921,1172 3.959,1173 4.256,1174 3.877,1175 7.999,1176 3.789,1177 3.84,1178 3.847,1179 3.806,1180 3.714,1181 7.999,1182 3.715,1183 3.613,1184 3.617,1185 3.734,1186 3.517,1187 7.716,1188 3.463,1189 3.36,1190 3.411,1191 3.33,1192 3.059,1193 7.439,1194 3.107,1195 3.309,1196 3.364,1197 3.265,1198 3.036,1199 7.427,1200 3.069,1201 3.26,1202 3.318,1203 3.15,1204 2.994,1205 6.999,1206 3.029,1207 2.958,1208 3.028,1209 2.985,1210 2.818,1211 4.886,1212 2.759,1213 0.148,1214 0.158,1215 0.226,1216 0.133,1217 0.107,1218 4.889,1219 0.143,1220 5.198,1221 0.116,1222 7.472,1223 0.397,1224 4.401,1225 0.094,1226 3.519,1227 4.728,1228 3.825,1229 13.094,1230 3.114,1231 1.997,1232 2.012,1233 1.987,1234 2.045,1235 1.261,1236 2.081,1237 1.634,1238 1.647,1239 1.861,1240 1.872,1241 1.215,1242 1.841,1243 1.626,1244 1.587,1245 1.73,1246 1.778,1247 0.985,1248 1.793,1249 1.557,1250 1.494,1251 1.705,1252 1.728,1253 0.931,1254 1.781,1255 1.43,1256 1.384,1257 1.579,1258 1.635,1259 0.749,1260 1.65,1261 1.285,1262 1.264,1263 1.338,1264 1.525,1265 0.468,1266 1.505,1267 1.088,1268 1.046,1269 1.224,1270 1.42,1271 0.268,1272 1.341,1273 0.973,1274 0.924,1275 1.206,1276 1.29,1277 0.221,1278 1.294,1279 4.205,1281 5.602,1282 3.045,1283 7.159,1284 5.352,1285 8.791,1286 7.402,1287 10.469,1289 2.266,1291 40.35,1293 5.307,1295 1.423,1296 2.549,1299 -0.724,1300 1.293,1301 -4.871,1305 33.21,1306 103.669,1307 209.068,1308 249.173,1309 257.928,1310 257.928,1311 257.928,1312 119.632,1313 7.489,1314 122.46,1315 159.08,1316 16,1317 12.831,1318 4,1319 3.392,1320 58.269,1321 131,1322 116,1323 0.22,1324 209.779,1325 376.99,1326 503.621,1327 17298,1328 6,1329 23.137,1330 0.746,1331 0.584,1332 21.241,1333 18.119,1334 14.286,1335 0.433,1336 0.356,1337 9.087,1338 12.295,1339 8.648,1340 7.088,1341 14.377,1342 11.756,1343 15.212,1344 0.298,1345 0.198,1346 15.228,1347 10.082,1348 10.68,1349 0.17,1350 0.112,1351 11.494,1352 7.076,1353 9.101,1354 0.11,1355 0.063,1356 10.267,1357 5.244,1358 6.865,1359 0.072,1360 0.033,1361 6.699,1362 3.131,1363 0.345,1364 104.788,1365 0.224,1366 28.903,1367 0.604,1368 168,1369 769.932,1370 261.245,1371 693.896,1372 887.4,1373 632,1374 198,1375 572.825,1376 287.371,1377 604.366,1378 901.03,1379 562,1380 7.699}
{0 CHEMBL2071338,1 1.738,2 11.714,3 2.025,4 4.102,5 107.471,6 8.261,7 0.516,8 3.993,9 4.116,10 3.687,11 3.545,12 5.145,13 3.52,14 4.513,15 4.679,16 4.104,17 3.943,18 5.672,19 3.895,20 4.731,21 4.937,22 4.061,23 4.031,24 5.807,25 3.946,26 4.751,27 4.937,28 4.124,29 4.026,30 5.96,31 3.95,32 4.733,33 4.938,34 3.925,35 3.942,36 6.037,37 3.842,38 4.618,39 4.87,40 3.795,41 3.819,42 5.596,43 3.681,44 4.405,45 4.61,46 3.831,47 3.695,48 5.562,49 3.606,50 4.3,51 4.46,52 3.722,53 3.698,54 5.47,55 3.621,56 0.094,57 0.793,58 9.046,59 4.129,60 10.909,61 5.016,62 0.343,63 1.266,64 18.548,65 6.881,66 34.309,67 8.965,68 0.457,69 1.419,70 26.161,71 8.962,72 50.541,73 11.077,74 0.479,75 1.436,76 31.062,77 9.76,78 59.061,79 11.272,80 0.664,81 1.342,82 27.488,83 8.906,84 108.118,85 10.792,86 0.374,87 1.2,88 28.891,89 8.955,90 46.498,91 11.39,92 0.408,93 1.037,94 24.372,95 6.986,96 41.272,97 8.239,98 0.232,99 0.97,100 17.029,101 6.347,102 23.28,103 7.282,104 18,105 44,106 0.293,107 0.684,108 0.828,109 0.869,110 0.869,111 0.869,112 3.374,113 0.948,114 -3.27,115 -3.26,116 -3.13,119 39.6,120 1,121 2,125 1,127 1,142 5,143 1,144 1,145 1,146 1,151 1,152 1,158 1,159 1,162 1,163 1,164 1,165 1,166 1,172 5,174 1,175 8,177 1,178 4,180 1,183 5,186 1,187 6,189 1,190 1,192 1,195 6,197 1,198 2,199 10,204 5,207 6,209 1,211 1,212 3,214 1,215 2,216 1,217 2,219 1,220 4,224 7,229 2,232 3,236 2,237 7,239 1,240 1,242 1,247 1,249 1,250 5,253 1,258 5,263 3,266 1,268 2,271 5,273 2,275 1212,276 18.861,277 18.861,278 18.861,279 18.861,280 18.861,281 16.683,282 22.272,283 10.991,284 19.328,285 15.288,286 15.288,287 15.288,288 15.288,289 15.288,290 11.988,291 25.183,292 5.171,293 16.1,294 3.847,295 1.526,296 0.674,297 0.432,298 0.432,299 0.432,300 4.065,304 1,305 1,306 714,307 3.317,310 260.38,311 94.1,318 2.092,319 28.863,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 328,332 4.454,333 3.85,334 6.614,335 4.053,336 3.113,337 4.157,338 1.946,339 10.452,340 2.945,341 4.224,342 3.53,343 6.5,344 3.994,345 3.044,346 3.843,347 1.692,348 10.158,349 2.886,350 4.175,351 3.134,352 6.137,353 3.782,354 2.837,355 3.353,356 0.585,357 9.031,358 2.669,359 3.754,360 2.959,361 5.561,362 3.377,363 2.42,364 3.208,365 0.085,366 7.295,367 2.312,368 3.565,369 2.522,370 5.284,371 3.156,372 2.177,373 2.798,375 6.309,376 2.108,377 3.278,378 2.351,379 4.859,380 2.828,381 1.877,382 2.558,384 5.199,385 1.772,386 3.044,387 2.025,388 4.473,389 2.664,390 1.692,391 2.203,393 4.477,394 1.64,395 2.796,396 1.773,397 4.134,398 2.473,399 1.497,400 1.769,402 3.555,403 1.432,404 2.5,405 1.278,406 3.894,407 2,408 1.048,409 1.5,411 2.792,412 1,413 2.481,414 1.119,415 3.455,416 1.966,417 1,418 1.473,420 2.275,421 0.951,422 2.258,423 1.11,424 3.414,425 1.756,426 0.795,427 1.141,428 1.991,429 0.75,430 2.118,431 1,432 3.283,433 1.712,434 0.746,435 0.927,436 1.896,437 0.71,438 1.903,439 0.794,440 3.271,441 1.68,442 0.717,443 0.828,445 1.741,446 0.684,447 1.854,448 0.618,449 3,450 1.565,451 0.618,452 0.77,454 1.372,455 0.584,456 1.045,457 0.414,458 2.661,459 0.638,460 -0.326,461 -0.404,463 -0.855,464 -0.304,465 13.4,466 0.479,467 0.733,468 0.026,469 36.25,470 1.295,471 17.5,472 0.625,473 18.75,474 0.67,475 23.546,476 0.841,477 29.8,478 0.621,479 26.373,480 0.942,481 7.018,482 0.251,483 6.507,484 0.232,485 0.117,487 0.358,493 0.749,494 1.258,495 0.72,496 0.931,497 0.623,498 0.879,499 0.553,500 1.166,501 0.752,502 0.977,503 0.454,504 0.919,505 1.125,506 0.936,507 1.006,508 0.892,509 1.044,510 0.936,511 1.254,512 1.163,513 1.305,514 1.28,515 1.367,516 1.058,517 1.304,518 0.957,519 1.199,520 1.001,521 1.382,522 1.091,523 0.916,524 0.986,525 1.095,526 1.026,527 0.833,528 0.909,529 1.028,530 0.985,531 1.313,532 1.212,533 0.983,534 0.908,535 1.073,536 1.129,537 1.306,538 1.277,539 0.984,540 1.157,541 5.5,542 0.109,543 3.556,544 2.028,545 1.587,546 0.789,547 0.576,548 0.418,549 0.368,550 0.165,551 10638,552 30663,553 2.094,554 41.7,556 8,557 1,558 1,559 3,560 3,561 4,564 1.707,565 1.953,566 3.518,567 0.988,568 1,569 1,573 83.419,574 1.738,575 4.059,576 4.911,577 5.153,578 5.153,579 5.153,580 2.972,581 4.379,582 4.778,583 3.72,584 1406.22,585 8.289,586 18949.6,588 1,590 1,591 268.078,592 1.432,593 4.736,594 0.177,595 0.006,596 0.081,597 0.049,598 0.038,599 0.023,600 0.02,601 0.014,602 0.012,603 0.007,604 0.427,605 0.33,606 1,607 0.744,608 142.106,609 -0.044,610 -0.074,611 0.056,612 0.031,613 -0.065,614 0.03,615 0.237,616 -0.049,617 0.144,618 0.007,619 0.147,620 0.018,621 -0.131,622 0.092,623 -0.03,624 0.093,625 -0.105,626 0.02,627 -0.099,628 -0.121,629 -0.113,630 -0.148,631 -0.112,632 -0.086,633 -0.066,634 0.034,635 -0.19,636 -0.021,637 0.004,638 -0.148,639 -0.057,640 -0.038,641 0.096,642 0.085,643 -0.049,644 0.137,645 0.029,646 0.078,647 0.019,648 -0.002,649 0.03,650 0.091,651 -0.127,652 -0.029,653 -0.249,654 -0.179,655 -0.044,656 -0.2,657 2.138,658 5.527,659 0.75,660 28.541,661 1.011,662 1.13,663 2.043,664 4.172,665 0.686,666 3.466,667 3.807,668 4.094,669 4.357,670 4.407,671 4.489,672 4.635,673 4.754,674 4.86,675 4.934,676 7.077,677 0.655,678 396.52,679 3.466,680 5.017,681 5.878,682 6.763,683 7.636,684 8.521,685 9.399,686 10.285,687 11.165,688 12.05,689 12.5,696 3,697 1,699 2,704 7,705 2,708 1,709 5,710 1,711 16,731 48,733 18,734 1,735 31,737 51,738 19,739 12,740 2,741 4,746 4,747 4,751 1,752 1,755 3,758 3,761 14,762 5,766 2,771 2,775 2,778 1,781 20,782 7,783 3,784 9,785 1,790 6,794 1,795 2,803 1,808 1,811 3,812 1,825 1,840 4,842 1,844 1,848 28,849 1,854 3,855 1,858 1,859 1,863 1,870 4.2,873 2,877 14.333,878 8.8,879 6.083,880 2.818,881 2.9,882 1.385,883 1.001,884 5.354,885 10.431,886 3.738,887 4.317,888 4.864,889 5.429,890 5.751,891 6.095,892 6.562,893 6.939,894 7.319,895 7.633,896 0.875,897 41,898 10.361,900 4.487,901 7.851,902 19.59,904 16.243,905 2.351,906 65.833,910 200.109,911 132.292,912 89.257,914 50.29,916 31.278,917 101.015,918 250.399,919 89.257,920 8.825,921 61.207,922 56.429,923 100.214,924 20.024,925 17.405,926 207.844,928 200.109,929 190.272,930 50.29,931 31.278,933 153.024,934 97.374,937 84.114,938 72.71,939 33.449,940 31.278,941 200.109,942 139.547,943 132.292,946 200.109,947 57.991,948 79.202,949 18.011,950 116.636,951 200.109,952 139.547,953 132.292,955 0.588,956 0.351,957 0.192,958 0.087,959 22,960 10,961 0.078,962 4,964 1,965 4.031,966 241.692,968 21,969 130.606,970 1,974 18.937,975 7.916,976 3.928,978 137.771,979 13.485,980 8.688,983 1.404,984 4.303,985 1.792,986 50.908,987 471.948,988 41,993 24.033,997 -0.809,999 48.527,1000 54.235,1001 0.311,1002 0.727,1003 0.879,1004 0.923,1005 0.923,1006 0.923,1007 4.984,1008 1.497,1009 5.872,1010 4.477,1011 4.489,1012 5.004,1013 2.543,1014 6.698,1015 4.389,1016 6.186,1017 1.048,1018 7.444,1019 3.555,1020 4.111,1021 4.771,1022 2.029,1023 7.63,1024 3.958,1025 7.491,1026 1,1027 9.115,1028 2.792,1029 6.098,1030 7.136,1031 3.443,1032 10.729,1033 5.89,1034 8.83,1035 0.795,1036 10.846,1037 2.275,1038 6.567,1039 7.749,1040 3.481,1041 12.494,1042 6.296,1043 10.201,1044 0.746,1045 12.614,1046 1.991,1047 8.006,1048 9.556,1049 4.534,1050 15.09,1051 7.687,1052 11.593,1053 0.717,1054 14.408,1055 1.896,1056 8.836,1057 10.556,1058 4.839,1059 17.18,1060 8.451,1061 13,1062 0.618,1063 16.219,1064 1.741,1065 10.072,1066 12.137,1067 5.711,1068 19.605,1069 9.64,1070 3.113,1071 -0.326,1072 18.044,1073 1.372,1074 11.06,1075 13.33,1076 6.163,1077 21.828,1078 10.563,1079 3.044,1080 10.452,1081 19.878,1082 -0.855,1083 12.219,1084 14.811,1085 6.937,1086 24.191,1087 11.673,1088 2.837,1089 10.158,1090 21.719,1091 4.157,1092 13.277,1093 16.104,1094 7.473,1095 26.472,1096 12.669,1097 2.42,1098 9.031,1099 23.567,1100 3.843,1101 14.406,1102 17.542,1103 8.194,1104 28.812,1105 13.747,1106 2.177,1107 7.295,1108 25.419,1109 3.353,1110 15.495,1111 18.887,1112 8.78,1113 31.119,1114 14.777,1115 1.877,1116 6.309,1117 27.275,1118 3.208,1119 16.615,1120 20.306,1121 9.472,1122 33.451,1123 15.845,1124 1.692,1125 5.199,1126 29.134,1127 2.798,1128 17.719,1129 21.68,1130 10.088,1131 35.77,1132 16.891,1133 10052,1134 17214,1135 20.69,1136 32.921,1137 47.771,1138 48.287,1139 48.271,1140 47.184,1141 47.158,1142 61.054,1143 8.616,1144 137.088,1145 44.884,1146 5.406,1147 5.85,1148 6.211,1149 5.198,1150 5.113,1151 7.157,1152 3.414,1153 17.419,1154 4.945,1155 13.737,1156 1.541,1157 1.558,1158 1.557,1159 1.522,1160 1.521,1161 1.969,1162 0.278,1163 4.422,1164 1.448,1165 4.047,1166 4.085,1167 4.263,1168 3.99,1169 7.439,1170 3.964,1171 3.908,1172 3.962,1173 3.925,1174 3.752,1175 7.427,1176 3.749,1177 3.837,1178 3.878,1179 3.805,1180 3.71,1181 5.01,1182 3.708,1183 3.626,1184 3.669,1185 3.597,1186 3.525,1187 4.884,1188 3.517,1189 3.353,1190 3.408,1191 3.288,1192 3.057,1193 4.84,1194 3.101,1195 3.282,1196 3.344,1197 3.156,1198 3.03,1199 4.568,1200 3.053,1201 2.972,1202 3.042,1203 2.985,1204 2.837,1205 4.224,1206 2.786,1207 2.854,1208 2.925,1209 2.729,1210 2.735,1211 3.86,1212 2.715,1213 0.144,1214 0.124,1215 0.213,1216 0.131,1217 0.1,1218 4.454,1219 0.134,1220 3.85,1221 0.063,1222 6.614,1223 0.337,1224 4.053,1225 0.095,1226 3.113,1227 4.157,1228 1.946,1229 10.452,1230 2.945,1231 1.928,1232 1.905,1233 2.012,1234 2.016,1235 1.215,1236 2.018,1237 1.634,1238 1.587,1239 1.861,1240 1.872,1241 1.146,1242 1.841,1243 1.557,1244 1.494,1245 1.731,1246 1.777,1247 0.985,1248 1.792,1249 1.517,1250 1.476,1251 1.708,1252 1.691,1253 0.817,1254 1.698,1255 1.435,1256 1.385,1257 1.632,1258 1.584,1259 0.661,1260 1.603,1261 1.313,1262 1.28,1263 1.349,1264 1.544,1265 0.486,1266 1.524,1267 1.17,1268 1.093,1269 1.325,1270 1.474,1271 0.303,1272 1.446,1273 0.968,1274 0.915,1275 1.223,1276 1.291,1277 0.218,1278 1.297,1279 4.143,1281 5.476,1282 3.434,1283 6.982,1284 5.687,1285 8.567,1286 7.687,1287 10.196,1289 1.908,1293 5.391,1295 1.894,1296 2.806,1299 -0.546,1300 1.484,1305 31.433,1306 83.419,1307 194.843,1308 235.714,1309 247.323,1310 247.323,1311 247.323,1312 50.346,1313 7.532,1314 106.14,1315 134.38,1316 21,1317 12.583,1318 4.248,1319 3.459,1320 42.637,1321 120,1322 106,1323 0.174,1324 196.994,1325 333.45,1326 472.425,1327 19721,1329 19.673,1330 0.703,1331 0.577,1332 20.027,1333 16.148,1334 13.525,1335 0.436,1336 0.316,1337 8.913,1338 12.532,1339 8.655,1340 7.153,1341 13.933,1342 9.792,1343 12.414,1344 0.282,1345 0.173,1346 13.056,1347 7.614,1348 10.447,1349 0.177,1350 0.1,1351 11.284,1352 5.873,1353 8.989,1354 0.117,1355 0.056,1356 9.919,1357 4.335,1358 6.103,1359 0.075,1360 0.03,1361 6.836,1362 2.447,1363 0.278,1364 89.058,1365 0.22,1366 27.042,1367 0.465,1368 150,1369 454.557,1370 193.403,1371 461.044,1372 630.67,1373 430,1374 178,1375 456.266,1376 218.167,1377 473.259,1378 694.26,1379 446,1380 8.301}
{0 CHEMBL2071339,1 1.992,2 12,3 2.437,4 5.94,5 109.426,6 9.385,7 0.471,8 4.02,9 4.133,10 3.786,11 3.549,12 5.285,13 3.562,14 4.565,15 4.707,16 4.292,17 3.964,18 6.247,19 3.961,20 4.773,21 4.95,22 4.235,23 4.07,24 6.055,25 4.041,26 4.861,27 5.051,28 4.319,29 4.005,30 6.409,31 4.002,32 4.783,33 4.99,34 4.113,35 3.905,36 6.255,37 3.871,38 4.586,39 4.78,40 4.085,41 3.852,42 5.932,43 3.798,44 4.5,45 4.667,46 4.047,47 3.743,48 5.978,49 3.732,50 4.368,51 4.531,52 3.964,53 3.628,54 5.736,55 3.619,56 0.277,57 1.006,58 6.453,59 4.159,60 49.249,61 4.077,62 1.033,63 1.915,64 15.501,65 7.391,66 169.057,67 7.885,68 0.82,69 1.743,70 22.735,71 9.499,72 117.386,73 10.298,74 1.258,75 1.854,76 27.129,77 9.257,78 193.309,79 9.927,80 1.276,81 1.628,82 28.033,83 9.391,84 205.289,85 9.486,86 0.798,87 1.509,88 27.353,89 8.934,90 108.908,91 8.869,92 0.822,93 1.463,94 22.008,95 7.435,96 117.326,97 6.336,98 0.587,99 1.361,100 19.463,101 6.964,102 87.412,103 6.351,104 54,105 51,106 0.336,107 0.711,108 0.834,109 0.89,110 0.89,111 0.89,112 3.472,113 0.887,114 -3.61,115 -3.58,116 -3.41,119 39.6,121 2,125 1,127 1,132 1,142 4,143 3,145 1,146 1,147 1,152 1,158 1,159 1,162 1,163 2,164 2,165 2,172 7,174 1,175 6,177 2,178 5,180 2,183 7,185 1,186 1,187 5,189 1,190 1,192 2,195 7,197 2,198 2,199 8,204 6,207 5,209 2,211 1,212 2,214 1,215 2,216 1,217 3,219 1,220 2,222 1,224 8,229 3,232 3,234 2,236 2,237 6,239 1,240 1,242 3,247 2,250 2,253 1,255 2,258 4,260 1,263 4,265 1,266 1,268 2,271 4,273 2,275 1539,276 20.074,277 20.074,278 20.074,279 20.074,280 20.074,281 17.977,282 19.308,283 11.339,284 20.771,285 16.767,286 16.767,287 16.767,288 16.767,289 16.767,290 13.447,291 22.049,292 5.358,293 18.021,294 3.593,295 1.367,296 0.641,297 0.307,298 0.307,299 0.307,300 4.158,304 1,305 1,306 793,307 4.183,310 164.791,311 189.249,314 130.485,318 2.065,319 60.461,322 1,323 0.83,324 1,325 0.8,326 0.5,327 0.83,328 0.5,329 0.78,330 71.5,331 372,332 4.578,333 4.47,334 7.242,335 4.263,336 3.382,337 4.456,338 3.825,339 12.191,340 3.049,341 4.487,342 3.849,343 6.613,344 4.047,345 3.101,346 4.075,347 1.946,348 10.445,349 2.943,350 4.192,351 3.53,352 6.335,353 3.968,354 3.024,355 3.468,356 1.692,357 9.767,358 2.831,359 4.032,360 3.062,361 6.048,362 3.653,363 2.714,364 3.328,365 0.585,366 8.788,367 2.52,368 3.653,369 2.811,370 5.516,371 3.315,372 2.344,373 2.892,374 0.085,375 6.986,376 2.274,377 3.532,378 2.521,379 5.396,380 3.13,381 2.224,382 2.752,384 6.646,385 1.947,386 3.291,387 2.459,388 5.059,389 2.861,390 1.933,391 2.521,393 5.756,394 1.77,395 3.024,396 2.089,397 4.484,398 2.534,399 1.543,400 2.282,402 4.439,403 1.513,404 2.877,405 1.529,406 4.303,407 2.456,408 1.522,409 2.015,411 3.948,412 1.403,413 2.783,414 1.431,415 4.136,416 2.348,417 1.372,418 1.768,420 3.548,421 1.329,422 2.583,423 1.334,424 4.024,425 2.078,426 1.153,427 1.616,428 3.12,429 1.052,430 1.918,431 1.278,432 3.457,433 1.753,434 0.77,435 0.831,436 1.945,437 0.748,438 1.903,439 1.117,440 3.283,441 1.706,442 0.722,443 0.771,445 1.741,446 0.704,447 1.855,448 0.51,449 3.168,450 1.342,451 0.435,452 0.638,454 1.126,455 0.388,456 1.262,457 0.51,458 2.895,459 0.877,460 -0.042,461 -0.052,463 -0.103,464 -0.038,465 14.257,466 0.46,467 1.128,468 0.036,469 39,470 1.258,471 18,472 0.581,473 21,474 0.677,475 26.856,476 0.866,477 34.343,478 0.715,479 33.633,480 1.085,481 7.61,482 0.245,483 7.02,484 0.226,485 0.163,486 0.035,487 0.379,490 3,493 0.673,494 1.006,495 0.657,496 0.869,497 0.644,498 0.797,499 0.379,500 0.761,501 0.65,502 0.91,503 0.363,504 0.887,505 0.73,506 0.925,507 0.932,508 1.044,509 0.69,510 1.038,511 0.927,512 0.854,513 0.961,514 1.003,515 0.979,516 1.019,517 1.173,518 0.901,519 1.097,520 0.828,521 1.15,522 0.915,523 0.983,524 1.058,525 1.352,526 1.216,527 0.863,528 0.921,529 1.298,530 1.207,531 1.496,532 1.302,533 1.218,534 1.061,535 0.983,536 1.301,537 1.135,538 1.488,539 1.006,540 1.189,541 8.5,542 0.165,543 4.444,544 2.847,545 2.024,546 1.264,547 0.779,548 0.529,549 0.475,550 0.304,551 13160,552 51069,553 2.02,554 35.4,556 7,558 1,559 5,561 4,564 1.734,565 1.833,566 3.543,567 2.509,569 1,573 95.616,574 1.992,575 4.218,576 4.944,577 5.278,578 5.278,579 5.278,580 2.934,581 4.349,582 4.927,583 3.773,584 1754.62,585 8.589,586 25380.4,588 1,591 268.078,592 1.705,593 4.848,594 0.25,595 0.008,596 0.087,597 0.057,598 0.041,599 0.032,600 0.02,601 0.014,602 0.015,603 0.011,604 0.535,605 0.33,606 1,607 0.9,608 162.185,609 -0.111,610 -0.047,611 0.006,612 0.091,613 -0.109,614 0.088,615 0.408,616 0.276,617 0.175,618 0.093,619 0.379,620 0.038,621 -0.059,622 -0.118,623 -0.036,624 -0.061,625 -0.034,626 -0.043,627 0.021,628 0.061,629 0.005,630 -0.048,631 -0.019,632 -0.068,633 -0.159,634 -0.007,635 -0.049,636 0.16,637 -0.108,638 0.082,639 -0.146,640 -0.118,641 -0.031,642 0.043,643 -0.054,644 0.15,645 -0.252,646 -0.069,647 -0.283,648 -0.105,649 -0.187,650 -0.115,651 -0.088,652 -0.248,653 -0.019,654 -0.325,655 -0.132,656 -0.19,657 5.864,658 5.505,659 0.645,660 32.795,661 1.043,662 1.151,663 2.382,664 5.675,665 0.682,666 3.555,667 3.951,668 4.205,669 4.477,670 4.625,671 4.727,672 4.883,673 5.05,674 5.165,675 5.328,676 7.43,677 0.679,678 450.49,679 3.555,680 5.142,681 6.004,682 6.913,683 7.791,684 8.697,685 9.582,686 10.486,687 11.373,688 12.277,689 12.5,693 1,696 3,699 2,703 2,704 5,705 2,708 1,709 5,711 16,722 1,731 48,733 18,734 1,735 34,737 51,738 19,739 12,740 3,741 3,746 4,747 5,751 1,752 1,755 3,757 1,758 3,761 14,762 5,766 2,771 2,775 2,778 1,779 3,781 17,782 11,783 5,784 12,785 1,790 6,794 0.75,795 2,805 1,808 1,811 2,812 2,815 1,825 1,840 3,842 1,846 3,848 31,849 2,854 3,855 1,858 1,859 1,860 1,863 1,869 3,870 4.2,873 2,877 16.917,878 8.445,879 6.5,880 2.693,881 3.24,882 1.405,883 1.014,884 5.688,885 11.236,886 3.807,887 4.44,888 5.001,889 5.603,890 6.124,891 6.513,892 7.014,893 7.48,894 7.829,895 8.279,896 0.875,897 50,898 12.055,900 5.907,901 8.417,902 20.766,904 17.458,905 2.917,906 90.417,909 1,910 141.253,911 117.42,912 120.5,914 50.29,915 44.88,916 31.278,917 86.142,918 191.543,919 165.381,921 61.207,922 70.802,923 100.337,924 66.129,925 7.35,926 160.76,927 7.76,928 141.253,929 206.643,930 95.17,931 31.278,933 94.169,934 142.255,937 80.659,938 92.413,939 33.571,940 31.278,941 186.134,942 170.79,943 117.42,946 149.013,947 62.708,948 50.077,949 18.011,950 194.536,951 141.253,952 215.671,953 117.42,955 0.606,956 0.347,957 0.183,958 0.091,959 26,960 13,961 0.059,962 3,963 1,964 1.1,965 4.113,966 283.955,967 0.1,968 20,969 148.825,970 1,974 21.628,975 8.154,976 4.399,977 1.224,978 215.671,979 7.141,980 7.985,983 1.163,984 -0.531,986 83.805,987 474.344,988 44,993 23.998,997 -1.032,999 50.065,1000 55.254,1001 0.357,1002 0.755,1003 0.885,1004 0.945,1005 0.945,1006 0.945,1007 5.094,1008 1.543,1009 6.057,1010 5.756,1011 4.635,1012 5.127,1013 3.483,1014 6.938,1015 4.501,1016 6.34,1017 1.522,1018 7.673,1019 4.439,1020 4.511,1021 5.13,1022 4.028,1023 8.107,1024 4.246,1025 7.683,1026 1.372,1027 9.394,1028 3.948,1029 6.347,1030 7.353,1031 5.546,1032 11.146,1033 6.07,1034 9.058,1035 1.153,1036 11.175,1037 3.548,1038 6.986,1039 8.117,1040 6.728,1041 13.096,1042 6.574,1043 10.461,1044 0.77,1045 12.996,1046 3.12,1047 8.377,1048 9.894,1049 8.086,1050 15.722,1051 7.936,1052 11.883,1053 0.722,1054 14.844,1055 1.945,1056 9.326,1057 11.01,1058 9.399,1059 17.975,1060 8.763,1061 13.321,1062 0.435,1063 16.711,1064 1.741,1065 10.569,1066 12.612,1067 10.741,1068 20.479,1069 9.952,1070 3.382,1071 -0.042,1072 18.595,1073 1.126,1074 11.649,1075 13.905,1076 12.077,1077 22.858,1078 10.921,1079 3.101,1080 12.191,1081 20.491,1082 -0.103,1083 12.843,1084 15.43,1085 13.418,1086 25.331,1087 12.045,1088 3.024,1089 10.445,1090 22.397,1091 4.456,1092 13.979,1093 16.813,1094 14.759,1095 27.764,1096 13.077,1097 2.714,1098 9.767,1099 24.312,1100 4.075,1101 15.161,1102 18.307,1103 16.1,1104 30.234,1105 14.176,1106 2.344,1107 8.788,1108 26.235,1109 3.468,1110 16.324,1111 19.736,1112 17.441,1113 32.693,1114 15.238,1115 2.224,1116 6.986,1117 28.164,1118 3.328,1119 17.505,1120 21.218,1121 18.783,1122 35.169,1123 16.329,1124 1.933,1125 6.646,1126 30.098,1127 2.892,1128 18.682,1129 22.671,1130 20.124,1131 37.642,1132 17.406,1133 12696,1134 25210,1135 21.789,1136 32.733,1137 53.177,1138 53.254,1139 54.129,1140 52.72,1141 52.476,1142 66.827,1143 16.267,1144 160.893,1145 48.94,1146 5.53,1147 6.47,1148 6.717,1149 5.404,1150 5.382,1151 7.456,1152 5.335,1153 19.617,1154 5.049,1155 19.789,1156 1.564,1157 1.566,1158 1.592,1159 1.551,1160 1.543,1161 1.965,1162 0.478,1163 4.732,1164 1.439,1165 4.094,1166 4.113,1167 4.325,1168 4.072,1169 8.513,1170 4.038,1171 3.898,1172 3.948,1173 3.907,1174 3.772,1175 7.999,1176 3.773,1177 3.866,1178 3.9,1179 3.807,1180 3.717,1181 7.999,1182 3.727,1183 3.456,1184 3.497,1185 3.51,1186 3.32,1187 7.439,1188 3.302,1189 3.335,1190 3.395,1191 3.296,1192 3.05,1193 7.427,1194 3.087,1195 3.276,1196 3.327,1197 3.242,1198 2.99,1199 5.155,1200 3.035,1201 3.13,1202 3.192,1203 3.136,1204 2.901,1205 4.962,1206 2.906,1207 2.97,1208 3.039,1209 2.941,1210 2.761,1211 4.882,1212 2.791,1213 0.135,1214 0.131,1215 0.213,1216 0.125,1217 0.099,1218 4.578,1219 0.131,1220 4.47,1221 0.113,1222 7.242,1223 0.359,1224 4.263,1225 0.09,1226 3.382,1227 4.456,1228 3.825,1229 12.191,1230 3.049,1231 1.979,1232 1.962,1233 2.036,1234 2.057,1235 1.215,1236 2.054,1237 1.743,1238 1.717,1239 1.861,1240 1.881,1241 1.192,1242 1.859,1243 1.634,1244 1.588,1245 1.807,1246 1.862,1247 0.985,1248 1.84,1249 1.557,1250 1.496,1251 1.722,1252 1.774,1253 0.912,1254 1.79,1255 1.327,1256 1.296,1257 1.365,1258 1.558,1259 0.475,1260 1.539,1261 1.109,1262 1.082,1263 1.265,1264 1.413,1265 0.288,1266 1.335,1267 1.002,1268 0.958,1269 1.221,1270 1.336,1271 0.146,1272 1.297,1273 0.915,1274 0.838,1275 1.108,1276 1.277,1277 0.111,1278 1.278,1279 4.234,1281 5.609,1282 3.045,1283 7.155,1284 5.352,1285 8.78,1286 7.413,1287 10.448,1291 39.38,1293 10.704,1295 1.613,1296 2.663,1299 -0.651,1300 1.374,1301 -4.614,1305 32.583,1306 95.616,1307 202.453,1308 237.323,1309 253.323,1310 253.323,1311 253.323,1312 82.698,1313 7.997,1314 127.23,1315 155.47,1316 22,1317 12.799,1318 4.248,1319 3.459,1320 49.638,1321 141,1322 115,1323 0.175,1324 200.589,1325 351.66,1326 481.196,1327 34390,1328 6.3,1329 22.336,1330 0.721,1331 0.541,1332 20.19,1333 16.757,1334 14.63,1335 0.43,1336 0.296,1337 9.113,1338 13.398,1339 8.958,1340 7.308,1341 13.827,1342 10.055,1343 14.669,1344 0.288,1345 0.158,1346 13.343,1347 8.071,1348 11.385,1349 0.173,1350 0.09,1351 11.41,1352 5.935,1353 9.777,1354 0.112,1355 0.05,1356 9.712,1357 4.382,1358 7.241,1359 0.072,1360 0.027,1361 7.527,1362 2.697,1363 0.278,1364 97.653,1365 0.214,1366 29.208,1367 0.469,1368 170,1369 726.557,1370 229.088,1371 640.402,1372 835.09,1373 590,1374 202,1375 573.41,1376 249.196,1377 574.543,1378 865.61,1379 539,1380 7.398}
{0 CHEMBL2071340,1 2.001,2 14.875,3 1.791,4 3.207,5 116.793,6 9.261,7 0.471,8 4.075,9 4.166,10 3.954,11 3.634,12 5.294,13 3.602,14 4.588,15 4.726,16 4.284,17 3.977,18 6.016,19 3.945,20 4.779,21 4.935,22 4.265,23 4.033,24 6.106,25 3.99,26 4.801,27 4.959,28 4.271,29 4.024,30 6.364,31 3.97,32 4.733,33 4.918,34 4.061,35 3.887,36 6.067,37 3.846,38 4.657,39 4.875,40 4.05,41 3.827,42 5.989,43 3.739,44 4.577,45 4.749,46 4.037,47 3.766,48 5.917,49 3.703,50 4.523,51 4.69,52 3.973,53 3.706,54 5.952,55 3.665,56 0.264,57 0.892,58 9.699,59 5.247,60 30.566,61 5.034,62 0.647,63 1.364,64 21.455,65 8.689,66 78.942,67 9.287,68 1.005,69 1.559,70 27.317,71 9.826,72 131.995,73 9.014,74 1.12,75 1.598,76 32.293,77 10.949,78 160.215,79 10.82,80 1.004,81 1.465,82 26.486,83 8.896,84 128.022,85 8.835,86 0.838,87 1.309,88 29.232,89 9.49,90 98.897,91 10.817,92 0.895,93 1.208,94 25.059,95 7.985,96 111.109,97 7.513,98 0.7,99 1.108,100 26.004,101 8.099,102 84.805,103 8.646,104 66,105 49,106 0.331,107 0.699,108 0.828,109 0.879,110 0.879,111 0.879,112 3.501,113 1.058,114 -3.66,115 -3.63,116 -3.46,119 36.5,120 2,121 1,124 1,125 1,142 4,143 1,144 2,146 1,147 1,152 2,158 1,159 1,162 1,166 1,172 3,174 1,175 6,178 5,179 1,180 4,183 4,187 4,190 1,195 5,198 2,199 10,202 2,203 1,204 5,207 4,211 1,212 4,217 2,220 1,223 1,224 4,227 3,228 1,229 4,232 2,237 4,240 1,242 2,249 4,250 5,253 2,255 4,258 2,262 1,266 3,271 2,275 1950,276 20.436,277 20.436,278 20.436,279 20.436,280 20.436,281 17.819,282 25.07,283 11.824,284 21.137,285 16.783,286 16.783,287 16.783,288 16.783,289 16.783,290 12.68,291 32.205,292 5.661,293 17.993,294 3.699,295 1.478,296 0.697,297 0.39,298 0.39,299 0.39,300 4.173,305 1,306 997,307 4.583,310 222.577,311 121.97,318 2.391,319 57.297,322 1,323 0.67,324 1,325 0.8,327 0.83,328 0.5,329 0.69,330 73,331 476,332 4.844,333 5.193,334 7.236,335 4.252,336 3.377,337 4.709,338 2.95,339 12.157,340 2.965,341 4.437,342 3.598,343 6.504,344 3.979,345 3.062,346 4.135,347 1.907,348 10.188,349 2.773,350 4.111,351 3.542,352 5.619,353 3.709,354 2.741,355 3.72,356 1.656,357 7.787,358 2.654,359 3.92,360 3.171,361 5.563,362 3.476,363 2.535,364 3.478,365 0.247,366 7.479,367 2.381,368 3.69,369 2.981,370 5.36,371 3.322,372 2.341,373 2.925,374 0.149,375 6.696,376 2.295,377 3.608,378 2.779,379 5.028,380 3.238,381 2.259,382 2.82,384 6.055,385 2.165,386 3.341,387 2.324,388 4.967,389 2.884,390 1.955,391 2.59,393 5.637,394 1.792,395 3.038,396 2.162,397 4.636,398 2.684,399 1.716,400 2.186,402 4.705,403 1.654,404 2.997,405 2.042,406 4.481,407 2.569,408 1.637,409 2.144,411 4.545,412 1.497,413 2.748,414 1.955,415 4.047,416 2.251,417 1.283,418 1.848,420 3.293,421 1.231,422 2.376,423 1.637,424 3.897,425 1.992,426 1.02,427 1.316,428 2.714,429 0.979,430 2.223,431 1.145,432 3.328,433 1.774,434 0.903,435 1.134,436 2.204,437 0.767,438 2.176,439 0.835,440 3.262,441 1.715,442 0.722,443 1.044,445 1.713,446 0.716,447 1.198,448 0.782,449 2.953,450 0.867,451 -0.064,452 -0.069,454 -0.169,455 -0.059,456 1.026,457 0.728,458 2.795,459 0.739,460 -0.149,461 -0.187,463 -0.374,464 -0.128,465 15.119,466 0.472,467 1.148,468 0.036,469 42,470 1.313,471 21,472 0.656,473 21,474 0.656,475 27.565,476 0.861,477 35.881,478 0.69,479 34.323,480 1.073,481 8.215,482 0.257,483 6.809,484 0.213,485 0.206,486 0.055,487 0.331,491 1,493 0.608,494 1.174,495 0.765,496 1.091,497 0.601,498 0.907,499 0.575,500 1.053,501 0.837,502 1.075,503 0.534,504 0.893,505 1.336,506 1.03,507 1.086,508 0.897,509 1.29,510 0.939,511 0.946,512 1.196,513 1.237,514 1.264,515 0.948,516 1.141,517 1.279,518 1.141,519 1.052,520 0.942,521 1.289,522 1.057,523 0.625,524 0.915,525 0.716,526 0.858,527 0.541,528 0.936,529 1.31,530 0.993,531 1.201,532 1.046,533 1.334,534 1.04,535 0.811,536 1.129,537 1.159,538 1.363,539 0.872,540 1.142,541 9.5,542 0.189,543 3.778,544 3.451,545 1.388,546 1.351,547 0.66,548 0.584,549 0.343,550 0.3,551 15682,552 60551,553 1.951,554 38.5,556 9,559 3,560 8,564 1.738,565 1.77,566 3.812,567 1.008,569 1,573 104.054,574 2.001,575 4.222,576 5.003,577 5.311,578 5.311,579 5.311,580 3.296,581 4.664,582 4.97,583 4.048,584 2007.78,585 8.657,586 31708.8,591 296.423,592 1.709,593 4.888,594 0.279,595 0.008,596 0.077,597 0.077,598 0.031,599 0.037,600 0.019,601 0.018,602 0.01,603 0.011,604 0.566,605 0.33,606 0.75,607 0.813,608 173.209,609 0.009,610 -0.061,611 0.127,612 0.015,613 -0.087,614 0.037,615 0.178,616 -0.033,617 0.121,618 -0.016,619 0.171,620 0.083,621 -0.307,622 -0.009,623 -0.128,624 0.089,625 -0.256,626 -0.011,627 0.069,628 -0.083,629 -0.158,630 -0.172,631 0.128,632 -0.165,633 -0.24,634 -0.055,635 -0.168,636 -0.045,637 -0.227,638 -0.128,639 0.173,640 0.002,641 0.224,642 0.067,643 0.176,644 0.089,645 -0.235,646 0.061,647 -0.12,648 0.003,649 -0.226,650 -0.09,651 0.083,652 -0.18,653 -0.079,654 -0.29,655 0.065,656 -0.145,657 4.591,658 6.207,659 0.5,660 40.93,661 1.036,662 1.135,663 2.433,664 5.918,665 0.685,666 3.555,667 3.912,668 4.078,669 4.317,670 4.344,671 4.466,672 4.564,673 4.564,674 4.522,675 4.595,676 8.739,677 0.666,678 481.58,679 3.555,680 5.118,681 5.943,682 6.83,683 7.671,684 8.56,685 9.409,686 10.299,687 11.155,688 12.046,689 9.6,696 3,699 2,704 4,705 2,707 1,708 1,709 8,711 16,730 1,731 52,733 20,734 1,735 34,737 54,738 19,739 12,740 3,741 3,746 3,747 3,751 1,752 2,758 1,761 14,762 5,766 4,769 1,771 4,775 2,779 1,781 20,782 11,783 3,784 13,785 2,789 1,790 5,794 1,795 5,811 2,812 1,826 1,840 3,842 2,844 3,846 1,848 32,851 1,854 2,855 3,863 1,869 1,870 9.6,873 4,875 1,877 18.083,878 10.293,879 6.833,880 2.802,881 2.781,882 1.376,883 0.97,884 7.517,885 10.169,886 3.85,887 4.489,888 4.927,889 5.491,890 5.77,891 6.11,892 6.519,893 6.734,894 6.952,895 7.223,896 0.9,897 45,898 12.112,900 5.488,901 8.294,902 21.564,904 17.352,905 2.794,906 89.417,910 200.109,911 139.94,912 90.414,914 104.337,915 14.96,916 37.324,917 102.616,918 304.446,919 105.374,920 24.841,921 58.672,922 43.951,923 135.69,924 26.849,925 28.371,926 231.386,928 200.109,929 193.031,930 119.297,931 37.324,933 215.069,934 104.337,937 79.58,938 77.068,939 42.428,940 31.278,941 215.069,942 194.751,943 139.94,945 6.046,946 200.109,947 71.148,948 62.746,949 54.032,950 155.679,951 200.109,952 209.711,953 139.94,955 0.596,956 0.323,957 0.167,958 0.077,959 22,960 12,961 0.13,962 7,964 1,965 4.326,966 270.435,968 16,969 158,970 1,973 1,974 24.142,975 9.964,976 6.503,978 209.711,979 5.375,980 7.883,982 4.847,983 1.11,984 1.45,986 54.032,987 549.76,988 46,991 -3.674,993 47.074,997 -0.903,999 53.88,1000 59.04,1001 0.351,1002 0.741,1003 0.878,1004 0.932,1005 0.932,1006 0.932,1007 5.106,1008 1.716,1009 5.984,1010 5.637,1011 4.595,1012 5.176,1013 3.376,1014 6.815,1015 4.458,1016 6.365,1017 1.637,1018 7.568,1019 4.705,1020 4.443,1021 5.323,1022 1.977,1023 7.928,1024 4.187,1025 7.719,1026 1.283,1027 9.258,1028 4.545,1029 6.26,1030 7.469,1031 5.192,1032 10.937,1033 5.955,1034 9.109,1035 1.02,1036 11.012,1037 3.293,1038 6.858,1039 8.393,1040 3.4,1041 12.875,1042 6.4,1043 10.531,1044 0.903,1045 12.81,1046 2.714,1047 8.238,1048 10.106,1049 7.244,1050 15.497,1051 7.722,1052 11.977,1053 0.722,1054 14.641,1055 2.204,1056 9.163,1057 11.364,1058 4.713,1059 17.767,1060 8.482,1061 13.442,1062 -0.064,1063 16.499,1064 1.713,1065 10.398,1066 12.936,1067 9.369,1068 20.281,1069 9.636,1070 3.377,1071 -0.149,1072 18.378,1073 -0.169,1074 11.468,1075 14.341,1076 5.991,1077 22.68,1078 10.544,1079 3.062,1080 12.157,1081 20.274,1082 -0.374,1083 12.659,1084 15.872,1085 11.519,1086 25.167,1087 11.631,1088 2.741,1089 10.188,1090 22.185,1091 4.709,1092 13.794,1093 17.342,1094 7.257,1095 27.617,1096 12.612,1097 2.535,1098 7.787,1099 24.107,1100 4.135,1101 14.977,1102 18.864,1103 13.678,1104 30.1,1105 13.675,1106 2.341,1107 7.479,1108 26.038,1109 3.72,1110 16.143,1111 20.366,1112 8.521,1113 32.571,1114 14.692,1115 2.259,1116 6.696,1117 27.977,1118 3.478,1119 17.329,1120 21.891,1121 15.84,1122 35.056,1123 15.748,1124 1.955,1125 6.055,1126 29.922,1127 2.925,1128 18.511,1129 23.409,1130 9.787,1131 37.538,1132 16.786,1133 15362,1134 30406,1135 21.383,1136 35.625,1137 51.839,1138 55.057,1139 53.056,1140 51.217,1141 51.103,1142 68.101,1143 13.819,1144 150.344,1145 47.741,1146 5.789,1147 7.193,1148 6.788,1149 5.39,1150 5.377,1151 7.709,1152 5.9,1153 19.627,1154 4.965,1155 21.846,1156 1.525,1157 1.619,1158 1.56,1159 1.506,1160 1.503,1161 2.003,1162 0.406,1163 4.422,1164 1.404,1165 4.1,1166 4.081,1167 4.737,1168 4.109,1169 8.201,1170 4.023,1171 3.906,1172 3.932,1173 4.254,1174 3.875,1175 7.715,1176 3.778,1177 3.871,1178 3.872,1179 3.861,1180 3.686,1181 7.433,1182 3.72,1183 3.678,1184 3.722,1185 3.67,1186 3.502,1187 7.427,1188 3.488,1189 3.566,1190 3.581,1191 3.574,1192 3.447,1193 6.999,1194 3.425,1195 3.386,1196 3.429,1197 3.341,1198 3.096,1199 5.22,1200 3.146,1201 3.103,1202 3.201,1203 3.003,1204 2.898,1205 4.851,1206 2.868,1207 2.981,1208 3.064,1209 2.885,1210 2.802,1211 4.508,1212 2.763,1213 0.142,1214 0.153,1215 0.213,1216 0.125,1217 0.099,1218 4.844,1219 0.139,1220 5.193,1221 0.087,1222 7.236,1223 0.358,1224 4.252,1225 0.087,1226 3.377,1227 4.709,1228 2.95,1229 12.157,1230 2.965,1231 1.979,1232 1.995,1233 1.97,1234 2.028,1235 1.226,1236 2.069,1237 1.666,1238 1.645,1239 1.856,1240 1.906,1241 1.094,1242 1.889,1243 1.626,1244 1.614,1245 1.76,1246 1.752,1247 0.93,1248 1.78,1249 1.545,1250 1.5,1251 1.71,1252 1.726,1253 0.846,1254 1.741,1255 1.438,1256 1.387,1257 1.578,1258 1.687,1259 0.735,1260 1.666,1261 1.349,1262 1.321,1263 1.473,1264 1.594,1265 0.488,1266 1.596,1267 1.215,1268 1.163,1269 1.354,1270 1.477,1271 0.441,1272 1.463,1273 0.977,1274 0.955,1275 1.128,1276 1.203,1277 0.276,1278 1.189,1279 4.234,1281 5.58,1282 3.045,1283 7.077,1284 5.352,1285 8.65,1286 7.368,1287 10.269,1289 4.317,1291 14.207,1295 0.095,1296 7.637,1305 34.653,1306 104.054,1307 219.562,1308 260.158,1309 276.158,1310 276.158,1311 276.158,1312 101.137,1313 7.388,1314 143.29,1315 179.91,1316 16,1317 12.582,1318 4.392,1319 3.7,1320 61.758,1321 168,1322 168,1323 0.175,1324 221.911,1325 385.76,1326 533.223,1327 17573,1328 1.9,1329 23.466,1330 0.733,1331 0.593,1332 23.199,1333 18.987,1334 15.024,1335 0.442,1336 0.353,1337 9.331,1338 13.015,1339 8.808,1340 7.318,1341 15.916,1342 11.989,1343 14.898,1344 0.304,1345 0.201,1346 16.383,1347 9.836,1348 10.638,1349 0.183,1350 0.11,1351 11.906,1352 6.396,1353 9.104,1354 0.123,1355 0.06,1356 9.862,1357 4.408,1358 5.79,1359 0.076,1360 0.033,1361 6.725,1362 2.481,1363 0.287,1364 109.231,1365 0.216,1366 30.818,1367 0.447,1368 166,1369 682.798,1370 251.378,1371 661.525,1372 864.98,1373 606,1374 190,1375 581.111,1376 277.486,1377 620.084,1378 890.71,1379 577,1380 6.959}
{0 CHEMBL2071341,1 1.882,2 13.433,3 2.654,4 7.044,5 112.273,6 8.474,7 0.355,8 4.074,9 4.17,10 3.887,11 3.633,12 5.219,13 3.575,14 4.626,15 4.782,16 4.238,17 3.98,18 6.007,19 3.926,20 4.855,21 5.011,22 4.226,23 4.086,24 6.119,25 4.016,26 4.924,27 5.125,28 4.253,29 4.076,30 6.384,31 3.99,32 4.791,33 4.97,34 3.985,35 3.925,36 6.093,37 3.853,38 4.733,39 4.984,40 3.994,41 3.847,42 5.977,43 3.717,44 4.637,45 4.868,46 3.981,47 3.767,48 5.839,49 3.671,50 4.518,51 4.684,52 3.958,53 3.691,54 5.948,55 3.65,56 0.172,57 0.863,58 12.398,59 5.9,60 23.383,61 6.263,62 0.64,63 1.329,64 26.155,65 9.557,66 83.617,67 10.953,68 0.935,69 1.586,70 32.723,71 11.278,72 117.812,73 11.508,74 1.122,75 1.65,76 41.975,77 12.875,78 161.211,79 14.573,80 0.917,81 1.476,82 30.62,83 9.854,84 141.601,85 10.553,86 0.795,87 1.342,88 34.202,89 10.353,90 100.691,91 12.946,92 0.781,93 1.229,94 31.602,95 8.456,96 92.592,97 9.748,98 0.586,99 1.066,100 27.49,101 8.072,102 68.551,103 9.057,104 112,105 46,106 0.313,107 0.646,108 0.792,109 0.807,110 0.807,111 0.807,112 3.439,113 1.133,114 -4.06,115 -4.01,116 -3.8,119 35.2,120 4,121 1,124 1,125 1,130 1,142 3,143 1,144 2,146 1,152 1,158 1,159 1,162 1,172 3,174 2,175 7,178 3,179 1,180 2,183 6,187 3,195 5,198 1,199 11,202 3,204 4,207 6,212 3,217 2,220 1,223 2,224 3,227 2,229 6,232 1,237 4,242 2,249 4,250 8,255 4,258 2,266 2,271 2,275 1612,276 18.367,277 18.367,278 18.367,279 18.367,280 18.367,281 16.396,282 21.982,283 10.472,284 19.112,285 15.305,286 15.305,287 15.305,288 15.305,289 15.305,290 12.142,291 27.667,292 5.002,293 16.597,294 3.872,295 1.87,296 0.992,297 0.904,298 0.904,299 0.904,300 4.092,304 1,305 1,306 811,307 5.099,310 101.157,311 114.204,318 2.3,319 55.868,322 1,323 0.83,324 1,325 1,326 1,327 0.83,328 1,329 0.95,330 68,331 403,332 4.844,333 5.193,334 7.236,335 4.252,336 3.377,337 4.709,338 2.95,339 12.157,340 2.965,341 4.437,342 3.789,343 6.504,344 4.07,345 3.13,346 4.135,347 2.443,348 10.188,349 2.929,350 4.157,351 3.548,352 6.445,353 3.979,354 3.062,355 3.478,356 1.656,357 10.151,358 2.773,359 3.92,360 3.185,361 5.563,362 3.475,363 2.535,364 3.205,365 0.286,366 7.48,367 2.37,368 3.68,369 3.171,370 5.36,371 3.283,372 2.326,373 2.919,374 0.247,375 6.696,376 2.208,377 3.486,378 2.981,379 4.989,380 3.174,381 2.181,382 2.626,384 5.815,385 2.133,386 3.338,387 2.324,388 4.901,389 2.878,390 1.944,391 2.567,393 5.587,394 1.788,395 3,396 2.162,397 4.627,398 2.577,399 1.652,400 2.15,402 4.657,403 1.501,404 2.748,405 1.955,406 4.047,407 2.251,408 1.283,409 1.848,411 3.293,412 1.231,413 2.376,414 1.638,415 3.897,416 1.995,417 1.031,418 1.316,420 2.715,421 0.979,422 2.193,423 1.145,424 3.376,425 1.774,426 0.904,427 1.116,428 2.226,429 0.767,430 1.198,431 0.862,432 2.966,433 0.846,434 -0.068,435 -0.071,436 -0.181,437 -0.061,438 1.025,439 0.777,440 2.93,441 0.738,442 -0.15,443 -0.187,445 -0.376,446 -0.129,447 1,448 0.575,449 2.571,450 0.603,451 -0.366,452 -0.432,454 -0.954,455 -0.343,456 1,457 0.318,458 2.515,459 0.486,460 -0.535,461 -0.659,463 -1.303,464 -0.483,465 14.319,466 0.477,467 1.327,468 0.044,469 35.25,470 1.175,471 16.5,472 0.55,473 18.75,474 0.625,475 30.024,476 1.001,477 34.881,478 0.646,479 29.122,480 0.971,481 6.572,482 0.219,483 7.187,484 0.24,485 0.288,486 0.093,487 0.279,491 1,493 0.607,494 1.232,495 0.799,496 1.182,497 0.617,498 1.019,499 0.562,500 1.001,501 0.795,502 1.023,503 0.495,504 0.841,505 1.446,506 1.061,507 1.108,508 0.95,509 1.212,510 1.033,511 0.836,512 1.089,513 1.015,514 1.089,515 0.848,516 0.941,517 1.488,518 1.208,519 1.123,520 0.991,521 1.566,522 1.154,523 0.441,524 0.978,525 0.623,526 0.83,527 0.419,528 0.884,529 1.077,530 0.837,531 0.987,532 0.855,533 1.005,534 0.786,535 0.861,536 1.255,537 1.116,538 1.399,539 0.935,540 1.107,541 10.5,542 0.232,543 3.778,544 3.382,545 1.388,546 1.247,547 0.686,548 0.637,549 0.343,550 0.291,551 11728,552 42500,553 1.852,554 44.4,556 8,559 2,560 5,561 9,564 1.723,565 1.651,566 3.658,567 0.342,569 1,573 101.65,574 1.882,575 3.885,576 4.763,577 4.851,578 4.851,579 4.851,580 3.089,581 4.523,582 4.875,583 3.924,584 1706.79,585 8.475,586 25391.9,591 310.764,592 1.826,593 4.76,594 0.339,595 0.01,596 0.082,597 0.081,598 0.032,599 0.038,600 0.021,601 0.021,602 0.01,603 0.013,604 0.646,605 0.33,606 1,607 2.097,608 158.26,609 -0.004,610 -0.089,611 0.143,612 -0.011,613 -0.1,614 0.017,615 0.232,616 0.015,617 0.19,618 0.051,619 0.212,620 0.167,621 -0.324,622 -0.042,623 -0.161,624 0.037,625 -0.241,626 -0.096,627 0.152,628 -0.048,629 0.054,630 -0.035,631 0.174,632 0.063,633 -0.337,634 -0.115,635 -0.253,636 -0.093,637 -0.321,638 -0.238,639 0.276,640 -0.074,641 0.285,642 0.07,643 0.223,644 0.121,645 -0.116,646 0.208,647 0.101,648 0.149,649 -0.096,650 0.175,651 0.089,652 -0.263,653 -0.035,654 -0.318,655 0.065,656 -0.128,657 4.581,658 6.175,659 0.367,660 36.631,661 1.025,662 1.135,663 2.831,664 8.014,665 0.665,666 3.466,667 3.85,668 3.932,669 4.174,670 4.19,671 4.344,672 4.454,673 4.5,674 4.419,675 4.5,676 8.124,677 0.633,678 457.6,679 3.466,680 5.043,681 5.849,682 6.751,683 7.576,684 8.478,685 9.315,686 10.217,687 11.063,688 11.965,689 5.6,696 2,699 1,704 3,705 1,708 1,709 6,711 11,730 1,731 54,733 15,734 1,735 31,737 55,738 19,739 9,740 3,741 3,746 2,747 2,751 1,752 4,758 1,761 11,762 8,763 1,766 4,769 1,771 4,775 2,778 1,779 1,781 24,782 9,783 2,784 11,785 2,790 3,794 1,795 5,811 1,812 1,829 1,840 2,842 2,844 5,846 1,848 30,851 1,854 2,855 2,856 1,860 1,863 1,869 1,870 9.3,873 4,875 1,877 18.167,878 11.26,879 6.292,880 2.969,881 2.291,882 1.325,883 0.926,884 7.725,885 9.344,886 3.726,887 4.353,888 4.72,889 5.283,890 5.614,891 6.005,892 6.435,893 6.702,894 6.917,895 7.19,896 0.889,897 42,898 11.417,900 5.132,901 8.294,902 20.406,904 16.348,905 2.794,906 83.833,909 1,910 258.964,911 142.824,912 52.807,914 105.603,915 14.96,916 37.324,917 105.501,918 364.567,919 67.767,920 42.491,921 40.662,922 34.475,923 118.58,924 28.115,925 20.594,926 290.242,928 258.964,929 158.308,930 120.563,931 37.324,933 167.984,934 211.543,937 79.22,938 62.302,939 22.831,940 31.278,941 273.924,942 158.41,943 142.824,945 6.046,946 258.964,947 65.858,948 70.92,949 36.022,950 137.348,951 258.964,952 173.37,953 142.824,955 0.605,956 0.302,957 0.155,958 0.067,959 20,960 12,961 0.145,962 8,964 1,965 3.991,966 243.612,968 11,969 140.452,970 1,973 1,974 24.387,975 9.503,976 7.4,978 173.37,979 3.821,980 4.234,983 1.12,984 0.653,986 36.022,987 575.158,988 40.5,991 -3.664,993 46.77,997 -0.966,999 55.327,1000 61.289,1001 0.327,1002 0.675,1003 0.828,1004 0.843,1005 0.843,1006 0.843,1007 5.009,1008 1.652,1009 5.943,1010 5.587,1011 4.533,1012 5.04,1013 3.504,1014 6.808,1015 4.373,1016 6.29,1017 1.283,1018 7.555,1019 4.657,1020 4.575,1021 5.308,1022 2.462,1023 8.106,1024 4.313,1025 7.664,1026 1.031,1027 9.278,1028 3.293,1029 6.279,1030 7.34,1031 5.339,1032 11.036,1033 5.936,1034 9.07,1035 0.904,1036 11.063,1037 2.715,1038 7.004,1039 8.33,1040 4.39,1041 13.055,1042 6.535,1043 10.504,1044 -0.068,1045 12.887,1046 2.226,1047 8.339,1048 10.001,1049 7.368,1050 15.644,1051 7.79,1052 11.958,1053 -0.15,1054 14.739,1055 -0.181,1056 9.332,1057 11.294,1058 6.218,1059 17.93,1060 8.649,1061 13.43,1062 -0.366,1063 16.612,1064 -0.376,1065 10.554,1066 12.857,1067 9.464,1068 20.424,1069 9.781,1070 3.377,1071 -0.535,1072 18.5,1073 -0.954,1074 11.656,1075 14.281,1076 8.021,1077 22.816,1078 10.753,1079 3.13,1080 12.157,1081 20.402,1082 -1.303,1083 12.845,1084 15.814,1085 11.588,1086 25.287,1087 11.842,1088 3.062,1089 10.188,1090 22.314,1091 4.709,1092 13.993,1093 17.296,1094 9.815,1095 27.724,1096 12.864,1097 2.535,1098 10.151,1099 24.234,1100 4.135,1101 15.174,1102 18.824,1103 13.727,1104 30.193,1105 13.938,1106 2.326,1107 7.48,1108 26.162,1109 3.478,1110 16.343,1111 20.334,1112 11.606,1113 32.652,1114 14.985,1115 2.181,1116 6.696,1117 28.096,1118 3.205,1119 17.525,1120 21.863,1121 15.874,1122 35.125,1123 16.055,1124 1.944,1125 5.815,1126 30.035,1127 2.919,1128 18.705,1129 23.387,1130 13.394,1131 37.598,1132 17.114,1133 12057,1134 23223,1135 18.493,1136 35.898,1137 47.614,1138 51.353,1139 48.601,1140 46.904,1141 46.85,1142 60.139,1143 15.164,1144 141.929,1145 43.291,1146 5.793,1147 7.193,1148 6.786,1149 5.39,1150 5.377,1151 7.709,1152 5.9,1153 19.627,1154 4.965,1155 23.466,1156 1.536,1157 1.657,1158 1.568,1159 1.513,1160 1.511,1161 1.94,1162 0.489,1163 4.578,1164 1.396,1165 4.1,1166 4.08,1167 4.737,1168 4.109,1169 8.201,1170 4.023,1171 3.88,1172 3.88,1173 4.254,1174 3.874,1175 7.715,1176 3.777,1177 3.778,1178 3.81,1179 3.687,1180 3.593,1181 7.434,1182 3.602,1183 3.632,1184 3.685,1185 3.665,1186 3.496,1187 7.429,1188 3.458,1189 3.552,1190 3.574,1191 3.491,1192 3.413,1193 6.999,1194 3.401,1195 3.346,1196 3.385,1197 3.268,1198 3.068,1199 4.852,1200 3.113,1201 3.02,1202 3.093,1203 2.997,1204 2.856,1205 4.559,1206 2.799,1207 2.901,1208 3.009,1209 2.83,1210 2.733,1211 4.508,1212 2.735,1213 0.156,1214 0.168,1215 0.233,1216 0.137,1217 0.109,1218 4.844,1219 0.152,1220 5.193,1221 0.095,1222 7.236,1223 0.392,1224 4.252,1225 0.096,1226 3.377,1227 4.709,1228 2.95,1229 12.157,1230 2.965,1231 1.979,1232 1.995,1233 1.97,1234 2.028,1235 1.226,1236 2.069,1237 1.716,1238 1.673,1239 1.953,1240 1.934,1241 1.131,1242 1.933,1243 1.626,1244 1.645,1245 1.822,1246 1.834,1247 1.068,1248 1.832,1249 1.592,1250 1.528,1251 1.71,1252 1.731,1253 0.93,1254 1.78,1255 1.432,1256 1.38,1257 1.578,1258 1.639,1259 0.735,1260 1.652,1261 1.324,1262 1.303,1263 1.417,1264 1.546,1265 0.476,1266 1.545,1267 1.004,1268 0.99,1269 1.417,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.804,1275 1.401,1276 1.239,1277 0.469,1278 1.308,1279 4.143,1281 5.509,1282 2.398,1283 7.02,1284 4.727,1285 8.603,1286 6.804,1287 10.228,1289 7.905,1291 14.175,1295 0.12,1296 5.099,1297 5.156,1301 -0.59,1305 34.191,1306 101.65,1307 209.789,1308 257.215,1309 261.97,1310 261.97,1311 261.97,1312 121.431,1313 7.054,1314 114.46,1315 151.08,1316 11,1317 12.497,1318 4,1319 3.392,1320 69.779,1321 146,1322 132,1323 0.232,1324 221.571,1325 392.3,1326 532.392,1327 10499,1328 1.9,1329 22.69,1330 0.756,1331 0.632,1332 22.423,1333 18.962,1334 13.759,1335 0.444,1336 0.378,1337 9.08,1338 11.881,1339 8.414,1340 7.056,1341 14.651,1342 11.71,1343 14.643,1344 0.318,1345 0.229,1346 16.127,1347 10.551,1348 9.06,1349 0.181,1350 0.118,1351 10.328,1352 5.897,1353 8.026,1354 0.125,1355 0.065,1356 8.783,1357 4.159,1358 4.8,1359 0.074,1360 0.036,1361 5.735,1362 2.329,1363 0.377,1364 100.632,1365 0.233,1366 29.004,1367 0.601,1368 154,1369 612.82,1370 236.987,1371 593.774,1372 768.14,1373 542,1374 173,1375 500.107,1376 256.601,1377 543.262,1378 780.35,1379 503,1380 5.672}
{0 CHEMBL2071342,1 1.997,2 14,3 1.891,4 3.577,5 112.34,6 9.072,7 0.5,8 4.035,9 4.145,10 3.912,11 3.583,12 5.211,13 3.541,14 4.563,15 4.726,16 4.233,17 3.928,18 5.944,19 3.884,20 4.734,21 4.925,22 4.216,23 3.988,24 5.994,25 3.934,26 4.742,27 4.909,28 4.213,29 3.978,30 6.275,31 3.921,32 4.675,33 4.876,34 3.967,35 3.841,36 5.928,37 3.777,38 4.564,39 4.793,40 3.969,41 3.762,42 5.794,43 3.66,44 4.534,45 4.742,46 4.011,47 3.712,48 5.838,49 3.631,50 4.457,51 4.644,52 3.878,53 3.646,54 5.795,55 3.592,56 0.225,57 0.913,58 10.066,59 5.021,60 23.406,61 5.118,62 0.603,63 1.371,64 22.342,65 8.077,66 67.856,67 9.133,68 0.809,69 1.534,70 28.337,71 9.071,72 102.173,73 9.338,74 0.982,75 1.555,76 30.481,77 9.506,78 130.934,79 9.54,80 0.812,81 1.397,82 25.499,83 8.261,84 95.068,85 8.715,86 0.615,87 1.22,88 27.061,89 8.648,90 62.974,91 10.137,92 0.77,93 1.137,94 26.299,95 7.723,96 80.317,97 8.345,98 0.587,99 1.044,100 25.396,101 7.113,102 65.925,103 8.01,104 54,105 46,106 0.334,107 0.696,108 0.84,109 0.87,110 0.87,111 0.87,112 3.44,113 1.094,114 -4.49,115 -4.42,116 -4.16,119 34,120 2,121 1,124 1,125 2,142 3,143 1,144 2,146 1,149 1,152 1,159 1,162 1,166 3,172 3,174 4,175 5,178 3,179 1,180 2,183 3,187 7,195 5,198 1,199 9,202 3,204 4,207 3,212 3,215 2,217 2,220 2,223 2,224 3,227 2,229 3,232 1,236 2,237 4,240 2,242 3,249 4,250 5,255 1,258 2,262 2,263 3,266 2,268 1,271 2,275 1606,276 19.444,277 19.444,278 19.444,279 19.444,280 19.444,281 17.034,282 22.974,283 11.206,284 20.22,285 15.727,286 15.727,287 15.727,288 15.727,289 15.727,290 11.896,291 24.371,292 5.261,293 17.023,294 3.647,295 1.482,296 0.62,297 0.445,298 0.445,299 0.445,300 4.112,304 1,305 1,306 880,307 4.243,310 201.781,311 111.342,318 2.267,319 49.725,322 1,323 0.67,324 1,325 0.8,326 0.5,327 0.83,328 1,329 0.83,330 68,331 420,332 4.844,333 5.193,334 7.236,335 4.252,336 3.377,337 4.709,338 2.95,339 12.157,340 2.965,341 4.437,342 3.55,343 6.504,344 3.979,345 3.062,346 4.135,347 1.656,348 10.188,349 2.773,350 4.111,351 3.171,352 5.635,353 3.689,354 2.733,355 3.729,356 0.247,357 7.827,358 2.61,359 3.919,360 2.981,361 5.563,362 3.469,363 2.532,364 3.478,366 7.479,367 2.359,368 3.676,369 2.884,370 5.359,371 3.263,372 2.312,373 2.918,375 6.694,376 2.175,377 3.347,378 2.325,379 4.982,380 2.963,381 2.018,382 2.597,384 5.698,385 1.908,386 3.227,387 2.247,388 4.869,389 2.864,390 1.922,391 2.404,393 5.519,394 1.783,395 3,396 2.162,397 4.629,398 2.575,399 1.651,400 2.15,402 4.66,403 1.499,404 2.748,405 1.955,406 4.047,407 2.251,408 1.283,409 1.848,411 3.293,412 1.231,413 2.376,414 1.483,415 3.897,416 2.044,417 1.085,418 1.318,420 2.716,421 1.033,422 2.302,423 1.145,424 3.388,425 1.776,426 0.907,427 1.242,428 2.34,429 0.768,430 2.117,431 0.853,432 3.255,433 1.703,434 0.729,435 0.994,436 1.701,437 0.707,438 1.486,439 0.777,440 2.953,441 1.318,442 0.336,443 0.379,445 0.499,446 0.329,447 1.198,448 0.497,449 2.794,450 0.812,451 -0.108,452 -0.121,454 -0.274,455 -0.097,456 1.025,457 0.377,458 2.562,459 0.737,460 -0.157,461 -0.193,463 -0.39,464 -0.138,465 14.252,466 0.475,467 1.004,468 0.033,469 38.25,470 1.275,471 19,472 0.633,473 19.25,474 0.642,475 26.406,476 0.88,477 33.748,478 0.675,479 30.035,480 1.001,481 7.306,482 0.244,483 6.862,484 0.229,485 0.195,486 0.058,487 0.309,491 1,493 0.542,494 1.143,495 0.766,496 1.12,497 0.598,498 0.95,499 0.565,500 1.038,501 0.844,502 1.042,503 0.521,504 0.874,505 1.279,506 1.006,507 0.991,508 0.844,509 1.216,510 0.833,511 1.098,512 1.177,513 1.33,514 1.274,515 0.973,516 1.161,517 1.357,518 1.11,519 1.081,520 0.977,521 1.292,522 1.121,523 0.612,524 0.97,525 0.71,526 0.91,527 0.567,528 0.969,529 1.052,530 0.896,531 1.026,532 1.006,533 1.117,534 0.926,535 0.937,536 1.106,537 1.202,538 1.325,539 0.94,540 1.087,541 8.5,542 0.202,543 3.556,544 3.076,545 1.398,546 1.16,547 0.645,548 0.563,549 0.318,550 0.22,551 12788,552 46932,553 1.966,554 40,556 10,559 2,560 5,561 3,564 1.722,565 1.791,566 3.721,567 0.408,569 1,573 99.861,574 1.997,575 4.162,576 5.023,577 5.199,578 5.199,579 5.199,580 3.231,581 4.682,582 4.875,583 3.944,584 1715.49,585 8.472,586 25357.6,588 1,591 282.193,592 1.697,593 4.8,594 0.266,595 0.009,596 0.077,597 0.072,598 0.033,599 0.035,600 0.02,601 0.018,602 0.01,603 0.009,604 0.549,605 0.17,606 0.88,607 0.914,608 158.227,609 0.067,610 0.011,611 0.145,612 0.002,613 -0.085,614 0.015,615 0.205,616 -0.01,617 0.126,618 0.014,619 0.195,620 0.104,621 -0.279,622 0.006,623 -0.02,624 0.147,625 -0.203,626 0.119,627 -0.012,628 -0.018,629 -0.258,630 -0.18,631 0.12,632 -0.218,633 -0.287,634 -0.024,635 -0.207,636 -0.074,637 -0.243,638 -0.19,639 0.172,640 -0.047,641 0.22,642 0.037,643 0.136,644 0.059,645 -0.001,646 0.123,647 0.079,648 0.057,649 -0.066,650 0.062,651 -0.005,652 -0.152,653 -0.107,654 -0.235,655 0.016,656 -0.09,657 4.566,658 6.193,659 0.533,660 36.404,661 1.031,662 1.144,663 3.258,664 10.617,665 0.679,666 3.497,667 3.85,668 4.043,669 4.277,670 4.317,671 4.443,672 4.533,673 4.564,674 4.543,675 4.585,676 8.128,677 0.655,678 453.58,679 3.497,680 5.056,681 5.889,682 6.777,683 7.625,684 8.515,685 9.371,686 10.262,687 11.124,688 12.016,689 14,696 2,697 1,699 4,704 3,705 4,708 1,709 7,710 1,711 16,730 1,731 50,733 19,734 1,735 32,737 52,738 17,739 10,740 3,741 3,746 3,747 3,751 1,752 2,758 1,761 11,762 6,766 3,769 1,771 3,775 1,778 1,779 1,781 20,782 10,783 2,784 13,785 2,790 7,794 1,795 3,811 2,812 1,840 3,842 2,844 3,846 1,848 30,851 1,854 3,855 2,863 1,869 1,870 6,873 3,877 16.75,878 9.976,879 6.5,880 2.914,881 2.865,882 1.391,883 0.97,884 6.912,885 10.198,886 3.784,887 4.431,888 4.905,889 5.468,890 5.757,891 6.097,892 6.491,893 6.75,894 6.982,895 7.234,896 1,897 43,898 11.348,900 5.109,901 8.186,902 20.441,904 16.465,905 2.686,906 80.583,910 211.88,911 122.416,912 104.328,914 69.458,915 14.96,916 37.324,917 85.092,918 281.338,919 119.288,920 24.841,921 42.767,922 34.475,923 136.11,924 21.097,925 20.594,926 243.158,928 211.88,929 189.42,930 84.418,931 37.324,933 193.855,934 104.771,937 65.329,938 55.111,939 72.698,940 31.278,941 226.84,942 173.785,943 122.416,945 6.046,946 211.88,947 63.101,948 54.924,949 36.022,950 151.07,951 211.88,952 188.746,953 122.416,955 0.593,956 0.331,957 0.171,958 0.079,959 21,960 11,961 0.135,962 7,964 1,965 4.148,966 250.298,968 16,969 145.207,970 1,973 1,974 22.413,975 9.252,976 5.67,978 187.092,979 3.888,980 16.128,983 1.162,984 1.371,985 1.459,986 36.022,987 523.041,988 43,991 -3.649,993 35.228,997 -0.447,999 51.545,1000 57.202,1001 0.354,1002 0.737,1003 0.89,1004 0.921,1005 0.921,1006 0.921,1007 5.037,1008 1.651,1009 5.927,1010 5.519,1011 4.533,1012 5.118,1013 3.144,1014 6.767,1015 4.376,1016 6.295,1017 1.283,1018 7.517,1019 4.66,1020 4.369,1021 5.263,1022 1.195,1023 7.908,1024 4.074,1025 7.653,1026 1.085,1027 9.214,1028 3.293,1029 6.209,1030 7.433,1031 5.092,1032 10.916,1033 5.869,1034 9.05,1035 0.907,1036 10.976,1037 2.716,1038 6.815,1039 8.366,1040 2.324,1041 12.871,1042 6.307,1043 10.48,1044 0.729,1045 12.782,1046 2.34,1047 8.203,1048 10.089,1049 7.203,1050 15.491,1051 7.641,1052 11.933,1053 0.336,1054 14.62,1055 1.701,1056 9.136,1057 11.352,1058 3.407,1059 17.766,1060 8.402,1061 13.405,1062 -0.108,1063 16.484,1064 0.499,1065 10.376,1066 12.93,1067 9.353,1068 20.28,1069 9.564,1070 3.377,1071 -0.157,1072 18.367,1073 -0.274,1074 11.451,1075 14.337,1076 4.464,1077 22.68,1078 10.476,1079 3.062,1080 12.157,1081 20.267,1082 -0.39,1083 12.645,1084 15.87,1085 11.513,1086 25.167,1087 11.569,1088 2.733,1089 10.188,1090 22.179,1091 4.709,1092 13.784,1093 17.341,1094 5.504,1095 27.617,1096 12.554,1097 2.532,1098 7.827,1099 24.103,1100 4.135,1101 14.969,1102 18.864,1103 13.675,1104 30.1,1105 13.622,1106 2.312,1107 7.479,1108 26.035,1109 3.729,1110 16.137,1111 20.367,1112 6.531,1113 32.572,1114 14.643,1115 2.018,1116 6.694,1117 27.975,1118 3.478,1119 17.324,1120 21.891,1121 15.839,1122 35.056,1123 15.703,1124 1.922,1125 5.698,1126 29.921,1127 2.918,1128 18.507,1129 23.41,1130 7.551,1131 37.538,1132 16.744,1133 12568,1134 24314,1135 20.285,1136 33.966,1137 48.244,1138 50.92,1139 49.886,1140 48.078,1141 47.892,1142 63.802,1143 9.706,1144 141.54,1145 44.285,1146 5.764,1147 7.193,1148 6.798,1149 5.39,1150 5.377,1151 7.709,1152 5.9,1153 19.627,1154 4.965,1155 19.508,1156 1.508,1157 1.591,1158 1.559,1159 1.502,1160 1.497,1161 1.994,1162 0.303,1163 4.423,1164 1.384,1165 4.1,1166 4.083,1167 4.737,1168 4.109,1169 8.201,1170 4.023,1171 3.905,1172 3.986,1173 4.254,1174 3.874,1175 7.715,1176 3.778,1177 3.865,1178 3.87,1179 3.856,1180 3.61,1181 7.431,1182 3.651,1183 3.618,1184 3.666,1185 3.669,1186 3.492,1187 6.999,1188 3.447,1189 3.529,1190 3.566,1191 3.486,1192 3.325,1193 5.18,1194 3.333,1195 3.343,1196 3.418,1197 3.188,1198 3.097,1199 4.851,1200 3.123,1201 3.132,1202 3.23,1203 3.005,1204 2.906,1205 4.508,1206 2.88,1207 2.947,1208 3.017,1209 2.912,1210 2.749,1211 4.151,1212 2.738,1213 0.151,1214 0.162,1215 0.226,1216 0.133,1217 0.106,1218 4.844,1219 0.147,1220 5.193,1221 0.092,1222 7.236,1223 0.38,1224 4.252,1225 0.093,1226 3.377,1227 4.709,1228 2.95,1229 12.157,1230 2.965,1231 1.979,1232 1.995,1233 1.97,1234 2.028,1235 1.226,1236 2.069,1237 1.641,1238 1.645,1239 1.856,1240 1.892,1241 1.104,1242 1.878,1243 1.626,1244 1.574,1245 1.82,1246 1.84,1247 1,1248 1.827,1249 1.551,1250 1.462,1251 1.71,1252 1.732,1253 0.93,1254 1.78,1255 1.436,1256 1.382,1257 1.578,1258 1.648,1259 0.735,1260 1.655,1261 1.334,1262 1.307,1263 1.41,1264 1.554,1265 0.48,1266 1.554,1267 1.039,1268 1.004,1269 1.153,1270 1.301,1271 0.312,1272 1.266,1273 0.869,1274 0.805,1275 1.128,1276 1.265,1277 0.207,1278 1.255,1279 4.174,1281 5.517,1282 3.045,1283 7.022,1284 5.352,1285 8.603,1286 7.38,1287 10.229,1289 4.571,1291 14.193,1295 1.367,1296 5.313,1305 32.739,1306 99.861,1307 208.08,1308 251.173,1309 259.928,1310 259.928,1311 259.928,1312 83.706,1313 7.332,1314 131.76,1315 168.38,1316 16,1317 12.55,1318 4.322,1319 3.585,1320 55.773,1321 146,1322 158,1323 0.184,1324 211.25,1325 358.22,1326 507.209,1327 15912,1328 2,1329 21.889,1330 0.73,1331 0.605,1332 21.622,1333 18.142,1334 14.168,1335 0.443,1336 0.365,1337 9.015,1338 12.197,1339 8.515,1340 7.081,1341 15.06,1342 11.668,1343 13.727,1344 0.298,1345 0.203,1346 15.211,1347 9.359,1348 10.241,1349 0.183,1350 0.112,1351 11.51,1352 6.274,1353 8.63,1354 0.122,1355 0.06,1356 9.387,1357 4.286,1358 5.593,1359 0.076,1360 0.033,1361 6.528,1362 2.478,1363 0.299,1364 103.677,1365 0.222,1366 29.068,1367 0.475,1368 156,1369 617.93,1370 239.533,1371 605.592,1372 801.19,1373 556,1374 180,1375 546.654,1376 267.166,1377 585.631,1378 844.43,1379 546,1380 5.854}
{0 CHEMBL208652,1 1.76,2 8.65,3 2.88,4 8.294,5 75.32,6 9.907,7 0.5,8 3.528,9 3.582,10 3.372,11 3.174,12 4.846,13 3.165,14 3.958,15 4.017,16 3.808,17 3.524,18 5.355,19 3.51,20 4.127,21 4.234,22 3.648,23 3.475,24 5.487,25 3.457,26 4.043,27 4.157,28 3.568,29 3.345,30 5.556,31 3.334,32 3.999,33 4.13,34 3.467,35 3.31,36 5.346,37 3.269,38 3.852,39 4.006,40 3.189,41 3.148,42 5.188,43 3.086,44 3.613,45 3.788,46 3.012,47 2.941,48 4.867,49 2.853,50 3.418,51 3.546,52 3.158,53 2.851,54 4.772,55 2.791,56 0.141,57 0.368,58 3.145,59 2.563,60 15.938,61 2.131,62 0.246,63 0.582,64 5.967,65 4.167,66 19.972,67 3.683,68 0.404,69 0.656,70 12.155,71 5.676,72 49.286,73 4.807,74 0.494,75 0.596,76 9.239,77 4.759,78 64.948,79 4.347,80 0.474,81 0.584,82 10.867,83 4.923,84 47.554,85 4.533,86 0.369,87 0.519,88 9.274,89 4.202,90 38.143,91 4.17,92 0.241,93 0.413,94 7.475,95 3.449,96 36.198,97 3.561,98 0.169,99 0.352,100 7.605,101 3.154,102 25.285,103 2.841,104 10,105 31,106 0.332,107 0.661,108 0.789,109 0.89,110 0.916,111 0.916,112 3.058,113 0.897,114 -2.65,115 -2.67,116 -2.59,119 48.3,135 1,138 1,142 6,143 1,144 1,152 2,158 1,159 1,172 5,175 5,178 2,180 3,183 7,187 3,192 3,195 5,198 1,199 4,202 1,204 2,207 5,211 1,212 2,215 1,217 2,220 5,223 1,224 2,229 2,232 4,237 2,242 1,245 2,250 2,255 2,258 2,263 3,266 1,267 1,268 2,271 1,275 448,276 13.378,277 13.378,278 13.378,279 13.378,280 13.378,281 11.589,282 7.297,283 7.847,284 13.62,285 10.866,286 10.866,287 10.866,288 10.866,289 10.866,290 8.098,291 4.963,292 3.749,293 11.251,294 3.098,295 1.35,296 0.673,297 0.138,300 3.732,304 1,305 1,306 372,307 2.121,310 108.845,311 65.714,318 1.42,319 28.54,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 44.5,331 173,332 4.409,333 4.802,334 6.465,335 4.026,336 3.04,337 4.088,338 4.337,339 10.018,340 3.002,341 4.244,342 3.599,343 6.148,344 3.863,345 2.918,346 3.672,347 1.058,348 9.082,349 2.743,350 3.86,351 3.121,352 5.445,353 3.445,354 2.461,355 3.343,356 0.508,357 7.155,358 2.412,359 3.382,360 3.08,361 4.891,362 2.914,363 1.938,364 2.574,366 5.44,367 1.863,368 3.161,369 2.533,370 4.719,371 2.748,372 1.752,373 2.331,375 4.905,376 1.715,377 2.862,378 1.914,379 4.133,380 2.392,381 1.414,382 2.016,384 3.526,385 1.377,386 2.776,387 1.534,388 3.842,389 2.238,390 1.287,391 1.765,393 3.065,394 1.203,395 2.473,396 1.499,397 3.577,398 1.993,399 1.023,400 1.423,402 2.648,403 0.977,404 2.172,405 1.088,406 3.272,407 1.682,408 0.684,409 1.013,411 1.667,412 0.682,413 1.2,414 0.802,415 2.852,416 0.817,417 -0.115,418 -0.143,420 -0.301,421 -0.106,422 1.074,423 0.694,424 2.387,425 0.665,426 -0.269,427 -0.345,428 -0.666,429 -0.247,430 1,431 0.212,432 2,433 0.484,434 -0.596,435 -0.863,436 -1.365,437 -0.623,438 0.633,439 0.057,440 2,441 0.18,442 -0.809,443 -1.099,445 -1.979,446 -0.795,447 0.448,448 -0.574,449 1.854,450 0.063,451 -0.947,452 -1.237,454 -2.492,455 -0.925,456 0.062,457 -0.785,458 1.611,459 -0.398,460 -1.403,461 -1.874,463 -3.459,464 -1.321,465 9.567,466 0.478,467 0.541,468 0.027,469 27.75,470 1.388,471 15,472 0.75,473 12.75,474 0.638,475 12.28,476 0.614,477 20.433,478 0.705,479 18.717,480 0.936,481 5.655,482 0.283,483 3.976,484 0.199,485 0.105,487 0.366,493 0.813,494 0.888,495 0.673,496 0.74,497 0.691,498 0.685,499 0.623,500 1.108,501 0.728,502 1.08,503 0.581,504 0.945,505 1.165,506 1.058,507 1.078,508 1.134,509 1.035,510 1.064,511 0.919,512 0.975,513 0.78,514 0.941,515 0.734,516 1.034,517 1.028,518 0.851,519 0.986,520 0.872,521 0.81,522 0.951,523 0.84,524 0.996,525 0.988,526 0.945,527 0.808,528 1.104,529 0.88,530 0.883,531 0.886,532 0.837,533 1.086,534 0.98,535 0.819,536 1.144,537 1.108,538 1.227,539 1.033,540 0.876,541 4.5,542 0.037,543 2.222,544 1.889,545 0.667,546 0.605,547 0.239,548 0.209,549 0.159,550 0.124,551 3902,552 14643,553 2.077,554 31,556 7,559 2,564 1.615,565 1.935,566 3.098,567 0.41,569 1,571 1,573 51.049,574 1.76,575 3.508,576 4.185,577 4.72,578 4.858,579 4.858,580 2.471,581 4.022,582 4.297,583 3.24,584 615.545,585 7.323,586 6327.04,587 1,588 1,589 1,590 1,591 140.881,592 1.441,593 4.248,594 0.205,595 0.006,596 0.072,597 0.07,598 0.028,599 0.028,600 0.014,601 0.016,602 0.011,603 0.01,604 0.459,605 0.67,606 1,607 0.627,608 88.826,609 -0.13,610 0.082,611 0.007,612 0.113,613 -0.124,614 0.088,615 0.117,616 -0.139,617 0.095,618 -0.154,619 0.031,620 -0.128,621 -0.175,622 -0.148,623 -0.128,624 -0.164,625 -0.127,626 -0.108,627 0.118,628 -0.068,629 0.045,630 -0.069,631 0.145,632 -0.094,633 0.001,634 0.085,635 -0.016,636 0.092,637 -0.028,638 0.05,639 0.024,640 -0.052,641 -0.075,642 -0.03,643 0.014,644 -0.072,645 -0.078,646 0.066,647 0.134,648 0.141,649 -0.117,650 0.124,651 0.002,652 -0.116,653 0.241,654 -0.013,655 -0.047,656 0.196,657 2.097,658 4.417,659 0.8,660 14.04,661 1.035,662 1.101,663 1.417,664 2.008,665 0.742,666 3.135,667 3.466,668 3.714,669 3.97,670 4.025,671 4.007,672 4.127,673 4.19,674 4.248,675 4.248,676 5.253,677 0.73,678 287.31,679 3.135,680 4.673,681 5.517,682 6.395,683 7.255,684 8.134,685 8.999,686 9.877,687 10.746,688 11.623,689 3.4,696 1,704 6,707 1,709 4,711 11,728 1,731 29,733 14,734 1,735 22,737 31,738 14,739 10,740 2,741 4,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,778 1,780 1,781 9,782 5,783 2,784 6,785 1,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,848 20,853 1,855 1,857 1,870 13.8,872 1,873 2,875 1,877 10.333,878 5.2,879 4.333,880 1.557,881 2.805,882 1.424,883 0.976,884 3.381,885 9.414,886 3.45,887 4.039,888 4.581,889 5.144,890 5.532,891 5.815,892 6.226,893 6.582,894 6.89,895 7.142,896 0.833,897 27,898 7.369,900 3.237,901 8.175,902 13.442,904 10.94,905 2.675,906 53.5,910 82.398,911 121.962,912 18.011,914 102.481,916 32.22,917 89.742,918 184.878,919 18.011,921 18.011,922 66.334,923 99.229,924 12.693,925 13.967,926 114.617,928 82.398,929 107.753,930 102.481,931 32.22,933 82.398,934 102.481,937 18.011,938 78.715,939 11.027,940 32.22,941 82.398,942 120.491,943 121.962,946 82.398,947 55.628,948 66.334,949 18.011,950 102.481,951 82.398,952 120.491,953 121.962,955 0.587,956 0.341,957 0.186,958 0.089,959 16,960 7,961 0.065,962 2,964 1,965 3.285,966 148.897,968 16,969 86.439,970 1,974 13.03,975 5.19,976 2.669,978 120.491,979 10.164,982 5.555,984 1.612,986 60.694,987 324.851,988 30.5,993 22.469,995 1.494,997 -0.539,999 30.022,1000 31.917,1001 0.362,1002 0.722,1003 0.862,1004 0.972,1005 1,1006 1,1007 4.68,1008 1.023,1009 5.509,1010 3.065,1011 4.143,1012 4.723,1013 3.666,1014 6.308,1015 4.079,1016 5.897,1017 0.684,1018 7.062,1019 2.648,1020 3.761,1021 4.511,1022 2.89,1023 7.154,1024 3.664,1025 7.206,1026 -0.115,1027 8.711,1028 1.667,1029 5.727,1030 6.877,1031 6.42,1032 10.243,1033 5.603,1034 8.549,1035 -0.269,1036 10.416,1037 -0.301,1038 6.155,1039 7.468,1040 6.24,1041 11.921,1042 5.992,1043 9.92,1044 -0.596,1045 12.156,1046 -0.666,1047 7.598,1048 9.301,1049 9.282,1050 14.501,1051 7.419,1052 11.312,1053 -0.809,1054 13.922,1055 -1.365,1056 8.392,1057 10.275,1058 9.437,1059 16.522,1060 8.173,1061 12.72,1062 -0.947,1063 15.705,1064 -1.979,1065 9.627,1066 11.875,1067 12.158,1068 18.919,1069 9.394,1070 3.04,1071 -1.403,1072 17.503,1073 -2.492,1074 10.585,1075 13.042,1076 12.55,1077 21.086,1078 10.317,1079 2.918,1080 10.018,1081 19.311,1082 -3.459,1083 11.735,1084 14.533,1085 15.039,1086 23.413,1087 11.452,1088 2.461,1089 9.082,1090 21.128,1091 4.088,1092 12.767,1093 15.801,1094 15.615,1095 25.644,1096 12.455,1097 1.938,1098 7.155,1099 22.951,1100 3.672,1101 13.882,1102 17.24,1103 17.926,1104 27.945,1105 13.555,1106 1.752,1107 5.44,1108 24.779,1109 3.343,1110 14.948,1111 18.563,1112 18.648,1113 30.207,1114 14.597,1115 1.414,1116 4.905,1117 26.612,1118 2.574,1119 16.051,1120 19.977,1121 20.819,1122 32.499,1123 15.684,1124 1.287,1125 3.526,1126 28.449,1127 2.331,1128 17.133,1129 21.332,1130 21.659,1131 34.775,1132 16.746,1133 3802,1134 7503,1135 14.622,1136 21.517,1137 33.727,1138 36.971,1139 34.325,1140 33.093,1141 33.036,1142 44.449,1143 11.807,1144 95.013,1145 31.95,1146 5.187,1147 6.802,1148 6.15,1149 5.118,1150 5.04,1151 7.088,1152 8.335,1153 16.756,1154 5.002,1155 9.451,1156 1.533,1157 1.68,1158 1.56,1159 1.504,1160 1.502,1161 2.02,1162 0.537,1163 4.319,1164 1.452,1165 4.022,1166 4.027,1167 4.086,1168 3.928,1169 7.449,1170 3.935,1171 3.807,1172 3.82,1173 3.924,1174 3.736,1175 7.409,1176 3.718,1177 3.647,1178 3.658,1179 3.651,1180 3.515,1181 6.469,1182 3.508,1183 3.044,1184 3.07,1185 3.039,1186 2.878,1187 5.062,1188 2.891,1189 2.942,1190 2.974,1191 2.907,1192 2.746,1193 4.584,1194 2.752,1195 2.828,1196 2.854,1197 2.821,1198 2.67,1199 4.135,1200 2.677,1201 2.72,1202 2.716,1203 2.67,1204 2.484,1205 3.663,1206 2.502,1207 2.311,1208 2.351,1209 2.312,1210 2.011,1211 3.623,1212 1.978,1213 0.2,1214 0.218,1215 0.294,1216 0.183,1217 0.138,1218 4.409,1219 0.186,1220 4.802,1221 0.197,1222 6.465,1223 0.455,1224 4.026,1225 0.136,1226 3.04,1227 4.088,1228 4.337,1229 10.018,1230 3.002,1231 1.897,1232 1.88,1233 1.996,1234 1.986,1235 1.083,1236 1.988,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.835,1242 1.745,1243 1.37,1244 1.344,1245 1.502,1246 1.568,1247 0.576,1248 1.534,1249 1.236,1250 1.222,1251 1.299,1252 1.494,1253 0.236,1254 1.473,1255 1.052,1256 1.074,1257 1.145,1258 1.234,1259 0.167,1260 1.211,1261 0.883,1262 0.84,1263 1.078,1264 1.146,1265 0.139,1266 1.131,1267 0.653,1268 0.62,1269 0.838,1270 0.913,1272 0.919,1273 0.297,1274 0.273,1275 0.554,1276 0.679,1278 0.645,1279 3.807,1281 5.13,1282 3.045,1283 6.624,1284 5.352,1285 8.196,1286 7.368,1287 9.809,1294 9.746,1296 2.17,1298 0.829,1305 21.175,1306 51.049,1307 101.72,1308 121.372,1309 136.881,1310 140.881,1311 140.881,1312 36.414,1313 6.609,1314 83.3,1315 111.54,1316 16,1317 12.162,1318 3.907,1319 3.248,1320 30.071,1321 64,1322 53,1323 0.238,1324 133.374,1325 235.43,1326 317.193,1327 5817,1329 14.113,1330 0.706,1331 0.547,1332 14.466,1333 10.938,1334 9.631,1335 0.438,1336 0.299,1337 5.748,1338 8.789,1339 5.592,1340 4.608,1341 10.039,1342 6.58,1343 8.914,1344 0.288,1345 0.164,1346 9.643,1347 5.086,1348 7.285,1349 0.182,1350 0.088,1351 8.006,1352 3.522,1353 6.191,1354 0.119,1355 0.047,1356 6.959,1357 2.47,1358 4.312,1359 0.078,1360 0.025,1361 4.866,1362 1.366,1363 0.37,1364 64.825,1365 0.262,1366 19.938,1367 0.66,1368 106,1369 388.55,1370 146.083,1371 388.713,1372 518.51,1373 360,1374 124,1375 358.572,1376 156.675,1377 374.095,1378 549.12,1379 352,1380 6.481}
{0 CHEMBL208662,1 1.76,2 8.7,3 2.88,4 8.294,5 75.32,6 9.907,7 0.5,8 3.528,9 3.582,10 3.372,11 3.174,12 4.846,13 3.165,14 3.958,15 4.017,16 3.808,17 3.524,18 5.365,19 3.51,20 4.126,21 4.234,22 3.617,23 3.473,24 5.475,25 3.446,26 4.027,27 4.161,28 3.514,29 3.334,30 5.452,31 3.311,32 3.954,33 4.081,34 3.473,35 3.296,36 5.34,37 3.25,38 3.848,39 3.984,40 3.24,41 3.136,42 5.237,43 3.1,44 3.638,45 3.815,46 3.016,47 2.961,48 4.895,49 2.868,50 3.416,51 3.546,52 3.01,53 2.845,54 4.761,55 2.765,56 0.141,57 0.368,58 3.145,59 2.563,60 15.827,61 2.131,62 0.246,63 0.582,64 5.967,65 4.167,66 19.409,67 3.683,68 0.415,69 0.656,70 12.023,71 5.668,72 50.868,73 4.718,74 0.423,75 0.596,76 9.95,77 4.844,78 60.176,79 4.657,80 0.47,81 0.561,82 10.038,83 4.713,84 44.41,85 4.634,86 0.391,87 0.508,88 8.93,89 4.063,90 39,91 3.711,92 0.245,93 0.424,94 7.605,95 3.543,96 36.144,97 3.687,98 0.179,99 0.352,100 7.863,101 3.194,102 25.519,103 2.836,104 10,105 31,106 0.332,107 0.661,108 0.802,109 0.903,110 0.916,111 0.916,112 3.057,113 0.896,114 -2.65,115 -2.67,116 -2.59,119 48.3,135 1,138 1,142 6,143 1,144 1,152 2,158 1,159 1,172 5,175 5,178 2,180 3,183 7,187 4,192 3,195 6,198 1,199 3,204 1,207 5,211 1,212 2,215 2,217 2,220 5,223 1,224 2,229 2,232 3,237 2,242 2,245 3,250 3,255 2,258 1,263 3,268 2,271 1,275 454,276 13.326,277 13.326,278 13.326,279 13.326,280 13.326,281 11.565,282 7.297,283 7.811,284 13.574,285 10.882,286 10.882,287 10.882,288 10.882,289 10.882,290 8.119,291 4.963,292 3.761,293 11.276,294 3.098,295 1.35,296 0.604,297 0.069,300 3.732,304 1,305 1,306 374,307 2.121,310 110.261,311 65.714,318 1.46,319 27.941,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 44.5,331 174,332 4.358,333 4.802,334 6.219,335 3.968,336 2.99,337 4.017,338 4.337,339 9.37,340 2.947,341 4.214,342 3.599,343 6.129,344 3.839,345 2.881,346 3.642,347 1.058,348 9.015,349 2.729,350 3.854,351 3.116,352 5.339,353 3.428,354 2.448,355 3.354,356 0.508,357 6.946,358 2.393,359 3.46,360 2.956,361 4.98,362 3.061,363 2.09,364 2.72,366 5.861,367 2.017,368 3.285,369 2.576,370 4.751,371 2.825,372 1.838,373 2.448,375 5.083,376 1.764,377 2.884,378 2.167,379 4.216,380 2.379,381 1.4,382 1.961,384 3.767,385 1.36,386 2.694,387 1.55,388 4.024,389 2.184,390 1.225,391 1.714,393 3.218,394 1.16,395 2.473,396 1.385,397 3.47,398 1.993,399 1.022,400 1.421,402 2.49,403 0.976,404 2.167,405 1.078,406 3.273,407 1.675,408 0.676,409 1.004,411 1.663,412 0.675,413 1.183,414 0.802,415 2.85,416 0.766,417 -0.162,418 -0.206,420 -0.47,421 -0.148,422 1,423 0.681,424 2.378,425 0.533,426 -0.402,427 -0.509,428 -0.897,429 -0.369,430 0.942,431 0.183,432 2,433 0.486,434 -0.593,435 -0.851,436 -1.361,437 -0.618,438 0.69,439 -0.057,440 2,441 0.265,442 -0.723,443 -0.977,445 -2,446 -0.714,447 0.448,448 -0.56,449 1.854,450 0.064,451 -0.947,452 -1.221,454 -2.514,455 -0.924,456 0.087,457 -0.723,458 1.569,459 -0.33,460 -1.304,461 -1.775,463 -3.388,464 -1.251,465 9.567,466 0.478,467 0.558,468 0.028,469 27.75,470 1.388,471 15,472 0.75,473 12.75,474 0.638,475 12.213,476 0.611,477 20.433,478 0.705,479 18.605,480 0.93,481 5.639,482 0.282,483 3.975,484 0.199,485 0.105,487 0.366,493 0.813,494 0.888,495 0.673,496 0.74,497 0.692,498 0.685,499 0.623,500 1.108,501 0.728,502 1.08,503 0.566,504 0.945,505 1.189,506 1.058,507 1.135,508 1.141,509 1.066,510 1.115,511 0.917,512 0.943,513 0.757,514 0.91,515 0.662,516 0.988,517 0.718,518 0.885,519 0.911,520 0.914,521 0.655,522 0.977,523 1.038,524 0.981,525 1.011,526 0.921,527 0.929,528 1.048,529 0.859,530 0.905,531 0.894,532 0.86,533 1.039,534 1.019,535 0.934,536 1.142,537 1.434,538 1.256,539 1.066,540 1.007,541 5,542 0.074,543 2,544 1.639,545 0.792,546 0.501,547 0.336,548 0.178,549 0.141,550 0.115,551 3962,552 14991,553 2.077,554 31,556 7,559 2,564 1.614,565 1.935,566 3.128,567 0.41,569 1,571 1,573 51.049,574 1.76,575 3.508,576 4.254,577 4.789,578 4.858,579 4.858,580 2.528,581 4.022,582 4.296,583 3.273,584 621.934,585 7.318,586 6418.03,587 1,588 1,589 1,590 1,591 140.881,592 1.441,593 4.248,594 0.227,595 0.009,596 0.065,597 0.063,598 0.034,599 0.023,600 0.019,601 0.014,602 0.011,603 0.01,604 0.474,605 0.67,606 1,607 0.627,608 89.116,609 -0.13,610 0.082,611 0.007,612 0.113,613 -0.125,614 0.088,615 0.117,616 -0.139,617 0.095,618 -0.154,619 0.047,620 -0.128,621 -0.2,622 -0.148,623 -0.186,624 -0.171,625 -0.161,626 -0.161,627 0.031,628 -0.034,629 0.099,630 -0.022,631 0.127,632 0.004,633 0.241,634 0.051,635 0.055,636 0.051,637 0.093,638 0.025,639 -0.054,640 -0.033,641 -0.116,642 -0.013,643 -0.038,644 -0.065,645 -0.07,646 0.041,647 0.119,648 0.115,649 -0.087,650 0.089,651 -0.116,652 -0.115,653 -0.096,654 -0.042,655 -0.084,656 0.061,657 2.088,658 4.415,659 0.8,660 14.37,661 1.035,662 1.101,663 1.417,664 2.008,665 0.742,666 3.135,667 3.466,668 3.689,669 3.951,670 4.025,671 4.007,672 4.127,673 4.205,674 4.234,675 4.248,676 5.345,677 0.73,678 287.31,679 3.135,680 4.673,681 5.509,682 6.385,683 7.238,684 8.113,685 8.973,686 9.847,687 10.711,688 11.584,689 3.4,696 1,704 6,707 1,709 4,711 11,728 1,731 29,733 14,734 1,735 22,737 31,738 14,739 10,740 2,741 4,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,778 1,780 1,781 9,782 5,783 2,784 6,785 1,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,848 20,853 1,855 1,857 1,870 13.8,872 1,873 2,875 1,877 10.333,878 5.2,879 4.306,880 1.55,881 2.772,882 1.419,883 0.976,884 3.381,885 9.382,886 3.45,887 4.039,888 4.566,889 5.131,890 5.532,891 5.82,892 6.228,893 6.605,894 6.89,895 7.162,896 0.833,897 26,898 7.361,900 3.224,901 8.175,902 13.442,904 10.936,905 2.675,906 53.5,910 82.398,911 121.962,912 18.011,914 102.481,916 32.22,917 89.742,918 184.878,919 18.011,921 18.011,922 66.334,923 99.229,924 12.693,925 13.967,926 114.617,928 82.398,929 107.753,930 102.481,931 32.22,933 82.398,934 102.481,937 18.011,938 78.715,939 11.027,940 32.22,941 82.398,942 120.491,943 121.962,946 82.398,947 55.628,948 66.334,949 18.011,950 102.481,951 82.398,952 120.491,953 121.962,955 0.587,956 0.332,957 0.18,958 0.09,959 16,960 7,961 0.065,962 2,964 1,965 3.304,966 147.935,968 16,969 86.439,970 1,974 13.03,975 5.19,976 2.815,978 120.491,979 10.098,982 5.578,984 1.919,986 60.694,987 324.851,988 30.5,993 22.465,995 1.511,997 -0.511,999 30.022,1000 31.917,1001 0.362,1002 0.722,1003 0.876,1004 0.986,1005 1,1006 1,1007 4.68,1008 1.022,1009 5.501,1010 3.218,1011 4.143,1012 4.723,1013 3.666,1014 6.282,1015 4.079,1016 5.897,1017 0.676,1018 7.041,1019 2.49,1020 3.761,1021 4.511,1022 2.89,1023 7.066,1024 3.664,1025 7.203,1026 -0.162,1027 8.673,1028 1.663,1029 5.714,1030 6.868,1031 6.42,1032 10.134,1033 5.591,1034 8.54,1035 -0.402,1036 10.355,1037 -0.47,1038 6.111,1039 7.429,1040 6.24,1041 11.726,1042 5.951,1043 9.903,1044 -0.593,1045 12.07,1046 -0.897,1047 7.552,1048 9.265,1049 9.282,1050 14.282,1051 7.376,1052 11.285,1053 -0.723,1054 13.808,1055 -1.361,1056 8.309,1057 10.199,1058 9.437,1059 16.222,1060 8.094,1061 12.682,1062 -0.947,1063 15.562,1064 -2,1065 9.539,1066 11.8,1067 12.158,1068 18.582,1069 9.31,1070 2.99,1071 -1.304,1072 17.33,1073 -2.514,1074 10.465,1075 12.929,1076 12.55,1077 20.678,1078 10.201,1079 2.881,1080 9.37,1081 19.108,1082 -3.388,1083 11.605,1084 14.416,1085 15.039,1086 22.958,1087 11.326,1088 2.448,1089 9.015,1090 20.893,1091 4.017,1092 12.612,1093 15.651,1094 15.615,1095 25.123,1096 12.302,1097 2.09,1098 6.946,1099 22.685,1100 3.642,1101 13.714,1102 17.082,1103 17.926,1104 27.37,1105 13.388,1106 1.838,1107 5.861,1108 24.482,1109 3.354,1110 14.759,1111 18.376,1112 18.648,1113 29.567,1114 14.406,1115 1.4,1116 5.083,1117 26.284,1118 2.72,1119 15.847,1120 19.778,1121 20.819,1122 31.8,1123 15.477,1124 1.225,1125 3.767,1126 28.089,1127 2.448,1128 16.91,1129 21.106,1130 21.659,1131 34.012,1132 16.518,1133 3857,1134 7638,1135 14.622,1136 21.517,1137 33.822,1138 37.064,1139 34.14,1140 33.194,1141 33.139,1142 44.561,1143 11.807,1144 94.826,1145 32.043,1146 5.136,1147 6.802,1148 5.771,1149 5.061,1150 4.99,1151 7.017,1152 8.335,1153 15.758,1154 4.947,1155 9.569,1156 1.537,1157 1.685,1158 1.552,1159 1.509,1160 1.506,1161 2.025,1162 0.537,1163 4.31,1164 1.456,1165 4.021,1166 4.027,1167 4.086,1168 3.928,1169 7.449,1170 3.935,1171 3.808,1172 3.82,1173 3.921,1174 3.736,1175 7.409,1176 3.718,1177 3.649,1178 3.658,1179 3.657,1180 3.515,1181 6.471,1182 3.509,1183 3.048,1184 3.072,1185 3.041,1186 2.878,1187 5.069,1188 2.893,1189 2.935,1190 2.97,1191 2.915,1192 2.746,1193 4.556,1194 2.75,1195 2.828,1196 2.849,1197 2.809,1198 2.669,1199 4.131,1200 2.676,1201 2.715,1202 2.714,1203 2.669,1204 2.483,1205 3.663,1206 2.5,1207 2.259,1208 2.279,1209 2.308,1210 2.002,1211 3.623,1212 1.948,1213 0.198,1214 0.218,1215 0.283,1216 0.18,1217 0.136,1218 4.358,1219 0.183,1220 4.802,1221 0.197,1222 6.219,1223 0.426,1224 3.968,1225 0.134,1226 2.99,1227 4.017,1228 4.337,1229 9.37,1230 2.947,1231 1.897,1232 1.88,1233 1.996,1234 1.986,1235 1.085,1236 1.988,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.835,1242 1.745,1243 1.368,1244 1.344,1245 1.497,1246 1.568,1247 0.57,1248 1.533,1249 1.235,1250 1.222,1251 1.298,1252 1.499,1253 0.236,1254 1.473,1255 1.051,1256 1.074,1257 1.14,1258 1.236,1259 0.165,1260 1.211,1261 0.883,1262 0.839,1263 1.084,1264 1.136,1265 0.133,1266 1.13,1267 0.65,1268 0.61,1269 0.845,1270 0.879,1272 0.892,1273 0.292,1274 0.265,1275 0.582,1276 0.66,1278 0.626,1279 3.807,1281 5.13,1282 3.045,1283 6.616,1284 5.352,1285 8.176,1286 7.368,1287 9.775,1294 9.428,1296 2.175,1298 0.838,1305 21.175,1306 51.049,1307 101.72,1308 123.372,1309 138.881,1310 140.881,1311 140.881,1312 35.28,1313 6.609,1314 83.3,1315 111.54,1316 16,1317 12.127,1318 3.907,1319 3.248,1320 30.097,1321 65,1322 53,1323 0.234,1324 133.374,1325 235.43,1326 317.193,1327 5817,1329 14.113,1330 0.706,1331 0.547,1332 14.466,1333 10.938,1334 9.614,1335 0.437,1336 0.299,1337 5.742,1338 8.768,1339 5.583,1340 4.601,1341 10.022,1342 6.574,1343 9.021,1344 0.291,1345 0.165,1346 9.749,1347 5.119,1348 7.146,1349 0.183,1350 0.089,1351 7.866,1352 3.483,1353 6.094,1354 0.119,1355 0.048,1356 6.862,1357 2.457,1358 4.325,1359 0.079,1360 0.025,1361 4.88,1362 1.368,1363 0.365,1364 64.724,1365 0.262,1366 20.005,1367 0.643,1368 106,1369 388.55,1370 146.083,1371 388.932,1372 517.95,1373 360,1374 123,1375 357.572,1376 155.343,1377 373.434,1378 546.21,1379 351,1380 5.745}
{0 CHEMBL208696,1 1.792,2 9.478,3 2.484,4 6.172,5 82.078,6 10.354,7 0.44,8 3.638,9 3.679,10 3.491,11 3.242,12 5.039,13 3.26,14 4.058,15 4.098,16 3.94,17 3.602,18 5.627,19 3.614,20 4.244,21 4.325,22 3.826,23 3.594,24 5.719,25 3.608,26 4.24,27 4.335,28 3.768,29 3.5,30 5.816,31 3.522,32 4.193,33 4.311,34 3.717,35 3.459,36 5.626,37 3.465,38 4.091,39 4.192,40 3.589,41 3.32,42 5.816,43 3.326,44 3.931,45 4.069,46 3.311,47 3.137,48 5.376,49 3.114,50 3.674,51 3.804,52 3.317,53 3.019,54 5.096,55 2.98,56 0.26,57 0.412,58 2.915,59 2.871,60 36.44,61 2.03,62 0.427,63 0.639,64 5.11,65 4.548,66 57.85,67 3.615,68 0.612,69 0.726,70 10.976,71 6.08,72 86.46,73 4.635,74 0.769,75 0.707,76 9.687,77 5.576,78 114.287,79 4.424,80 0.695,81 0.693,82 12.071,83 5.781,84 91.97,85 5.208,86 0.796,87 0.617,88 9.495,89 4.862,90 97.979,91 4.33,92 0.565,93 0.532,94 9.142,95 4.373,96 91.471,97 3.62,98 0.343,99 0.44,100 9.037,101 3.881,102 58.192,103 3.421,104 27,105 36,106 0.329,107 0.69,108 0.829,109 0.907,110 0.919,111 0.919,112 3.188,113 0.86,114 -2.11,115 -2.15,116 -2.14,119 46.9,135 1,138 1,142 5,143 2,144 1,152 2,158 2,159 1,167 1,170 1,172 5,173 1,175 6,178 3,180 4,183 7,184 2,187 5,192 5,195 5,196 2,198 1,199 6,202 1,204 4,207 5,211 1,212 2,213 1,215 1,217 2,218 1,220 5,221 1,223 2,224 3,227 2,228 1,229 3,232 4,233 1,237 3,242 2,245 2,246 1,250 3,255 3,258 2,263 3,266 1,267 1,268 2,271 1,272 1,275 696,276 15.033,277 15.033,278 15.033,279 15.033,280 15.033,281 13.127,282 9.575,283 8.628,284 15.28,285 12.317,286 12.317,287 12.317,288 12.317,289 12.317,290 9.272,291 6.613,292 4.105,293 12.708,294 3.208,295 1.246,296 0.488,297 0.063,300 3.861,303 1,304 1,305 1,306 461,307 2.828,310 128.544,311 77.962,318 1.546,319 42.835,321 1,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 52.5,331 218,332 4.452,333 4.802,334 6.502,335 4.07,336 3.08,337 4.149,338 4.337,339 10.166,340 3.05,341 4.264,342 3.599,343 6.149,344 3.877,345 2.932,346 3.736,347 1.437,348 9.09,349 2.769,350 4.018,351 3.582,352 5.871,353 3.647,354 2.651,355 3.463,356 1.058,357 8.035,358 2.621,359 3.75,360 3.12,361 5.43,362 3.365,363 2.381,364 3.119,365 0.508,366 7.055,367 2.331,368 3.373,369 3.075,370 4.887,371 2.9,372 1.927,373 2.555,375 5.417,376 1.842,377 3.147,378 2.537,379 4.719,380 2.737,381 1.745,382 2.31,384 4.903,385 1.704,386 2.778,387 1.914,388 4.137,389 2.24,390 1.288,391 1.765,393 3.536,394 1.209,395 2.754,396 1.904,397 3.904,398 2.23,399 1.234,400 1.751,402 2.977,403 1.202,404 2.473,405 1.52,406 3.759,407 1.993,408 1.023,409 1.423,411 2.745,412 0.977,413 2.172,414 1.089,415 3.276,416 1.682,417 0.685,418 1.013,420 1.675,421 0.683,422 1.258,423 0.803,424 2.873,425 0.888,426 -0.053,427 -0.066,428 -0.131,429 -0.049,430 1.16,431 0.7,432 2.546,433 0.727,434 -0.204,435 -0.263,436 -0.563,437 -0.186,438 1,439 0.499,440 2.311,441 0.486,442 -0.595,443 -0.86,445 -1.364,446 -0.622,447 0.671,448 0.249,449 2,450 0.226,451 -0.773,452 -1.044,454 -2,455 -0.765,456 0.45,457 0.14,458 1.931,459 0.064,460 -0.947,461 -1.221,463 -2.296,464 -0.924,465 10.733,466 0.467,467 0.736,468 0.032,469 31.25,470 1.359,471 16.5,472 0.717,473 14.75,474 0.641,475 15.115,476 0.657,477 24.067,478 0.752,479 23.88,480 1.038,481 6.444,482 0.28,483 4.492,484 0.195,485 0.155,487 0.419,493 0.871,494 0.872,495 0.688,496 0.726,497 0.758,498 0.652,499 0.571,500 1.071,501 0.69,502 1.049,503 0.523,504 0.909,505 1.091,506 1.106,507 1.095,508 1.173,509 0.956,510 1.124,511 1.044,512 0.968,513 0.869,514 0.931,515 0.934,516 1.068,517 0.969,518 0.919,519 0.903,520 0.912,521 0.836,522 0.939,523 0.674,524 0.967,525 0.918,526 0.926,527 0.659,528 1.104,529 1.269,530 0.868,531 1.054,532 0.814,533 1.332,534 1.024,535 0.882,536 1.091,537 1.116,538 1.157,539 0.993,540 0.956,541 6,542 0.12,543 2.889,544 2.076,545 1.098,546 0.983,547 0.362,548 0.322,549 0.184,550 0.179,551 5509,552 24057,553 2.016,554 28.1,556 6,559 3,564 1.656,565 1.84,566 3.229,567 1.118,569 1,571 1,573 57.358,574 1.792,575 3.754,576 4.512,577 4.938,578 5,579 5,580 2.666,581 4.35,582 4.496,583 3.394,584 858.696,585 7.735,586 9808.59,587 1,588 1,590 1,591 160,592 1.538,593 4.428,594 0.24,595 0.009,596 0.08,597 0.063,598 0.037,599 0.034,600 0.014,601 0.018,602 0.011,603 0.011,604 0.517,605 0.5,606 1,607 0.872,608 107.731,609 -0.174,610 0.122,611 -0.028,612 0.157,613 -0.151,614 0.125,615 0.151,616 -0.077,617 0.099,618 -0.099,619 0.114,620 -0.094,621 -0.199,622 -0.186,623 -0.188,624 -0.208,625 -0.129,626 -0.177,627 -0.06,628 -0.057,629 -0.046,630 -0.058,631 -0.049,632 -0.115,633 -0.032,634 0.01,635 0.073,636 0.043,637 -0.057,638 0.107,639 0.319,640 -0.028,641 -0.034,642 -0.031,643 0.236,644 -0.123,645 -0.286,646 0.067,647 -0.047,648 0.135,649 -0.274,650 0.058,651 -0.066,652 -0.09,653 0.179,654 0.007,655 -0.086,656 0.18,657 2.794,658 4.472,659 0.696,660 18.707,661 1.052,662 1.104,663 0.878,664 0.772,665 0.732,666 3.258,667 3.611,668 3.85,669 4.094,670 4.22,671 4.277,672 4.344,673 4.407,674 4.477,675 4.511,676 5.787,677 0.738,678 331.32,679 3.258,680 4.812,681 5.659,682 6.544,683 7.41,684 8.295,685 9.168,686 10.052,687 10.927,688 11.811,689 3.1,696 1,704 5,707 1,709 5,711 11,720 1,728 1,731 32,733 15,734 1,735 25,737 34,738 15,739 10,740 3,741 3,742 4,746 3,747 3,761 15,766 4,771 3,773 1,775 4,777 1,778 1,780 1,781 9,782 7,783 3,784 8,785 1,790 1,792 1,794 1,795 6,811 2,812 1,831 2,837 1,838 1,840 3,842 1,848 23,853 2,855 1,857 1,870 18.8,872 2,873 3,875 1,877 12.5,878 5.733,879 4.944,880 1.656,881 2.933,882 1.424,883 0.94,884 4.087,885 9.85,886 3.57,887 4.171,888 4.711,889 5.268,890 5.715,891 6.079,892 6.449,893 6.793,894 7.134,895 7.42,896 1,897 33,898 8.502,900 3.813,901 8.449,902 15.07,904 12.245,905 2.949,906 67.833,910 70.627,911 116.581,912 18.011,914 170.309,916 32.22,917 84.361,918 240.935,919 18.011,921 18.011,922 56.857,923 167.967,924 15.878,925 13.967,926 102.846,928 70.627,929 102.372,930 170.309,931 32.22,933 70.627,934 170.309,937 18.011,938 73.334,939 11.027,940 32.22,941 70.627,942 188.32,943 116.581,946 70.627,947 59.723,948 56.857,949 18.011,950 170.309,951 70.627,952 188.32,953 116.581,955 0.596,956 0.342,957 0.177,958 0.092,959 18,960 9,961 0.088,962 3,964 1,965 3.477,966 181.775,968 16,969 104.042,970 1,974 15.554,975 6.043,976 3.217,978 188.32,979 6.905,982 5.497,984 0.631,986 103.377,987 375.527,988 34.5,993 33.566,995 1.395,997 -1.898,999 33.676,1000 35.336,1001 0.358,1002 0.751,1003 0.902,1004 0.988,1005 1,1006 1,1007 4.818,1008 1.234,1009 5.673,1010 3.536,1011 4.29,1012 4.856,1013 3.766,1014 6.488,1015 4.234,1016 6.052,1017 1.023,1018 7.244,1019 2.977,1020 4.007,1021 4.758,1022 2.89,1023 7.372,1024 3.927,1025 7.374,1026 0.685,1027 8.906,1028 2.745,1029 5.9,1030 7.028,1031 6.434,1032 10.438,1033 5.796,1034 8.726,1035 -0.053,1036 10.62,1037 1.675,1038 6.382,1039 7.696,1040 6.24,1041 12.111,1042 6.25,1043 10.105,1044 -0.204,1045 12.366,1046 -0.131,1047 7.786,1048 9.47,1049 9.284,1050 14.687,1051 7.638,1052 11.502,1053 -0.595,1054 14.133,1055 -0.563,1056 8.603,1057 10.491,1058 9.437,1059 16.697,1060 8.425,1061 12.913,1062 -0.773,1063 15.917,1064 -1.364,1065 9.819,1066 12.06,1067 12.158,1068 19.094,1069 9.627,1070 3.08,1071 -0.947,1072 17.712,1073 -2,1074 10.787,1075 13.257,1076 12.55,1077 21.257,1078 10.569,1079 2.932,1080 10.166,1081 19.518,1082 -2.296,1083 11.929,1084 14.734,1085 15.039,1086 23.587,1087 11.696,1088 2.651,1089 9.09,1090 21.331,1091 4.149,1092 12.967,1093 16.024,1094 15.615,1095 25.82,1096 12.712,1097 2.381,1098 8.035,1099 23.15,1100 3.736,1101 14.081,1102 17.459,1103 17.926,1104 28.127,1105 13.811,1106 1.927,1107 7.055,1108 24.974,1109 3.463,1110 15.152,1111 18.8,1112 18.648,1113 30.395,1114 14.864,1115 1.745,1116 5.417,1117 26.803,1118 3.119,1119 16.257,1120 20.217,1121 20.819,1122 32.696,1123 15.955,1124 1.288,1125 4.903,1126 28.635,1127 2.555,1128 17.344,1129 21.587,1130 21.659,1131 34.982,1132 17.027,1133 5440,1134 11486,1135 16.126,1136 23.426,1137 38.764,1138 42.293,1139 39.669,1140 37.966,1141 37.892,1142 50.567,1143 14.68,1144 111.2,1145 36.775,1146 5.229,1147 6.802,1148 5.8,1149 5.163,1150 5.08,1151 7.149,1152 8.335,1153 16.918,1154 5.05,1155 13.557,1156 1.551,1157 1.692,1158 1.587,1159 1.519,1160 1.516,1161 2.023,1162 0.587,1163 4.448,1164 1.471,1165 4.033,1166 4.036,1167 4.089,1168 3.942,1169 7.475,1170 3.951,1171 3.828,1172 3.834,1173 3.945,1174 3.749,1175 7.448,1176 3.737,1177 3.663,1178 3.668,1179 3.696,1180 3.528,1181 7.409,1182 3.521,1183 3.288,1184 3.266,1185 3.254,1186 3.024,1187 6.469,1188 3.076,1189 3.035,1190 3.061,1191 3.033,1192 2.859,1193 6.351,1194 2.874,1195 2.829,1196 2.858,1197 2.898,1198 2.676,1199 5.059,1200 2.679,1201 2.727,1202 2.733,1203 2.67,1204 2.486,1205 4.5,1206 2.505,1207 2.712,1208 2.715,1209 2.601,1210 2.342,1211 4.132,1212 2.406,1213 0.178,1214 0.192,1215 0.26,1216 0.163,1217 0.123,1218 4.452,1219 0.166,1220 4.802,1221 0.173,1222 6.502,1223 0.407,1224 4.07,1225 0.122,1226 3.08,1227 4.149,1228 4.337,1229 10.166,1230 3.05,1231 1.913,1232 1.902,1233 1.988,1234 2.003,1235 1.107,1236 1.995,1237 1.638,1238 1.63,1239 1.717,1240 1.761,1241 0.836,1242 1.745,1243 1.386,1244 1.37,1245 1.504,1246 1.569,1247 0.581,1248 1.541,1249 1.24,1250 1.225,1251 1.301,1252 1.542,1253 0.236,1254 1.488,1255 1.108,1256 1.125,1257 1.207,1258 1.386,1259 0.169,1260 1.331,1261 1.023,1262 1.031,1263 1.097,1264 1.229,1265 0.146,1266 1.204,1267 0.681,1268 0.642,1269 0.864,1270 0.974,1272 0.936,1273 0.516,1274 0.5,1275 0.802,1276 0.911,1278 0.91,1279 3.932,1281 5.273,1282 3.045,1283 6.779,1284 5.352,1285 8.361,1286 7.368,1287 9.986,1294 18.854,1296 2.125,1298 0.758,1305 23.605,1306 57.358,1307 120.126,1308 144.39,1309 158,1310 160,1311 160,1312 56.063,1313 6.917,1314 120.6,1315 148.84,1316 16,1317 12.346,1318 4,1319 3.392,1320 36.901,1321 80,1322 72,1323 0.23,1324 148.031,1325 267.67,1326 352.957,1327 8530,1329 16.56,1330 0.72,1331 0.531,1332 16.914,1333 12.216,1334 10.936,1335 0.437,1336 0.287,1337 6.307,1338 9.952,1339 6.157,1340 5.054,1341 11.344,1342 7.169,1343 10.447,1344 0.29,1345 0.156,1346 11.176,1347 5.606,1348 8.349,1349 0.181,1350 0.084,1351 9.069,1352 3.862,1353 6.799,1354 0.115,1355 0.045,1356 7.567,1357 2.654,1358 4.99,1359 0.074,1360 0.023,1361 5.544,1362 1.528,1363 0.359,1364 73.807,1365 0.249,1366 22.521,1367 0.636,1368 122,1369 492.435,1370 166.511,1371 482.986,1372 632.4,1373 444,1374 143,1375 431.239,1376 178.997,1377 445.752,1378 653.62,1379 418,1380 5.87}
{0 CHEMBL2087474,1 1.772,2 12.303,3 0.348,4 0.121,5 125.123,6 7.894,7 0.432,8 4.231,9 4.355,10 3.974,11 3.678,12 5.256,13 3.673,14 4.829,15 5.021,16 4.272,17 4.081,18 6.011,19 4.067,20 5.049,21 5.26,22 4.274,23 4.265,24 6.072,25 4.197,26 5.119,27 5.351,28 4.204,29 4.268,30 6.104,31 4.177,32 5.115,33 5.38,34 4.17,35 4.201,36 6.075,37 4.127,38 4.976,39 5.207,40 4.172,41 4.199,42 5.93,43 4.125,44 4.97,45 5.183,46 4.144,47 4.179,48 5.953,49 4.095,50 5.026,51 5.289,52 4.094,53 4.1,54 5.993,55 4.011,56 0.154,57 1.013,58 15.173,59 4.789,60 19.221,61 6.572,62 0.757,63 1.561,64 29.833,65 7.977,66 67.083,67 11.147,68 0.858,69 1.825,70 38.463,71 11.032,72 67.109,73 15.075,74 0.72,75 1.846,76 41.695,77 12.004,78 78.907,79 17.515,80 0.956,81 1.757,82 40.257,83 10.367,84 80.994,85 16.447,86 0.698,87 1.723,88 33.308,89 9.983,90 40.823,91 14.751,92 0.532,93 1.665,94 31.348,95 10.426,96 49.091,97 15.173,98 0.725,99 1.596,100 37.93,101 9.798,102 63.957,103 15.462,104 18,105 54,106 0.285,107 0.592,108 0.743,109 0.799,110 0.799,111 0.799,112 3.532,113 1.028,114 -1.4,115 -1.48,116 -1.54,119 33.3,124 1,125 9,143 1,145 2,146 2,147 1,150 1,151 2,161 1,163 1,164 1,165 1,174 6,175 3,177 2,178 2,186 7,187 1,198 3,199 1,204 1,209 1,211 5,212 1,223 7,226 1,227 1,236 3,237 2,239 1,240 1,249 2,252 1,253 1,262 9,265 1,266 1,275 1892,276 22.09,277 22.09,278 22.09,279 22.09,280 22.09,281 19.946,282 27.761,283 12.839,284 22.963,285 18.321,286 18.321,287 18.321,288 18.321,289 18.321,290 14.91,291 38.164,292 6.185,293 19.762,294 4.135,295 2.229,296 1.296,297 0.946,298 0.946,299 0.946,300 4.239,304 1,305 1,306 889,307 3.464,310 73.858,311 401.281,314 137.361,318 1.888,319 39.24,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 73.5,331 406,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.577,338 0.916,339 11.657,340 3.077,341 4.638,342 3.335,343 6.753,344 4.156,345 3.223,346 4.51,347 0.86,348 11.114,349 3.007,350 4.153,351 3.014,352 6.107,353 3.743,354 2.779,355 3.777,356 0.8,357 8.938,358 2.678,359 3.863,360 2.841,361 5.866,362 3.592,363 2.664,364 3.242,365 0.4,366 8.286,367 2.471,368 3.664,369 2.71,370 5.477,371 3.362,372 2.449,373 3.037,374 0.172,375 7.274,376 2.234,377 3.545,378 2.417,379 5.049,380 3.194,381 2.28,382 2.685,384 6.117,385 2.08,386 3.213,387 2.314,388 4.95,389 2.896,390 1.954,391 2.351,393 5.701,394 1.833,395 3.013,396 2.213,397 4.683,398 2.648,399 1.743,400 2.117,402 4.816,403 1.574,404 2.869,405 1.95,406 4.551,407 2.465,408 1.547,409 2.007,411 4.581,412 1.416,413 2.685,414 1.548,415 4.373,416 2.331,417 1.389,418 1.676,420 4.07,421 1.302,422 2.5,423 1.432,424 3.755,425 2.106,426 1.234,427 1.5,428 2.943,429 1.069,430 2.388,431 1.256,432 3.414,433 1.967,434 1,435 1.375,436 2.275,437 0.965,438 2,439 1.146,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.643,458 3.247,459 1.471,460 0.557,461 0.754,463 1.615,464 0.508,465 15.433,466 0.468,467 0.98,468 0.03,469 42.5,470 1.288,471 18,472 0.545,473 24.5,474 0.742,475 29.763,476 0.902,477 37.367,478 0.623,479 33.9,480 1.027,481 8.088,482 0.245,483 7.776,484 0.236,485 0.102,486 0.054,487 0.298,493 0.759,494 1.879,495 0.795,496 1.454,497 0.716,498 1.082,499 1.04,500 1.075,501 0.994,502 0.922,503 0.546,504 0.832,505 1.146,506 0.961,507 1.166,508 1.015,509 1.048,510 1.024,511 0.923,512 1.213,513 1.043,514 1.178,515 1.102,516 1.135,517 0.93,518 0.853,519 0.741,520 0.655,521 0.973,522 0.791,523 0.703,524 0.931,525 0.945,526 0.957,527 0.417,528 1.031,529 0.814,530 1.254,531 0.899,532 1.189,533 0.789,534 1.252,535 0.822,536 1.087,537 0.839,538 0.946,539 0.514,540 0.967,541 8,542 0.178,543 3.778,544 2.132,545 1.56,546 1.511,547 0.797,548 0.487,549 0.414,550 0.343,551 15712,552 46523,553 2.123,554 45,556 21,557 2,558 2,559 2,564 1.755,565 1.99,566 3.556,567 0.342,569 1,573 106.309,574 1.772,575 3.678,576 4.611,577 4.961,578 4.961,579 4.961,580 3.048,581 4.476,582 5.01,583 3.766,584 1988.53,585 8.795,586 29507.1,591 354.413,592 1.521,593 4.972,594 0.216,595 0.006,596 0.07,597 0.04,598 0.032,599 0.031,600 0.016,601 0.011,602 0.01,603 0.009,604 0.441,605 0.33,606 0.63,607 0.675,608 174.61,609 0.002,610 -0.53,611 0.207,612 -0.228,613 -0.125,614 -0.055,615 0.026,616 0.085,617 -0.003,618 0.091,619 0.256,620 0.106,621 -0.151,622 0.131,623 -0.18,624 0.014,625 -0.106,626 -0.051,627 -0.074,628 -0.203,629 -0.106,630 -0.168,631 -0.108,632 -0.122,633 -0.029,634 0.08,635 0.089,636 0.183,637 -0.087,638 0.171,639 0.029,640 0.163,641 -0.094,642 -0.013,643 0.014,644 -0.05,645 -0.026,646 -0.195,647 -0.097,648 -0.228,649 -0.082,650 -0.244,651 0.01,652 -0.135,653 0.067,654 -0.033,655 0.092,656 0.018,657 4.066,658 4.779,659 0.818,660 37.556,661 1.015,662 1.146,663 0.172,664 0.029,665 0.649,666 3.638,667 4.007,668 4.263,669 4.543,670 4.828,671 4.99,672 5.198,673 5.384,674 5.529,675 5.71,676 7.332,677 0.621,678 473.63,679 3.638,680 5.209,681 6.066,682 6.963,683 7.84,684 8.742,685 9.629,686 10.535,687 11.428,688 12.336,689 15,692 2,693 1,695 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,722 1,726 1,731 60,733 18,735 37,737 64,738 20,739 10,746 5,747 6,761 10,762 10,766 2,769 1,771 2,778 1,781 27,782 11,783 2,784 13,785 1,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 1,848 33,849 1,852 1,854 9,856 1,859 3,870 5,873 2,874 1,877 16.583,878 10.933,879 6.944,880 3.456,881 3.01,882 1.364,883 1.009,884 6.204,885 11.285,886 3.871,887 4.508,888 5.02,889 5.626,890 6.202,891 6.635,892 7.141,893 7.623,894 7.967,895 8.368,896 1,897 53,898 12.372,900 5.494,901 7.801,902 23.504,904 19.853,905 2.301,906 75.917,910 294.278,911 87.754,912 109.093,914 55.313,916 5.807,917 81.946,918 349.59,919 109.093,920 7.19,921 23.925,922 56.799,923 147.712,924 35.848,925 27.769,926 247.193,928 294.278,929 191.039,930 55.313,931 5.807,933 294.278,934 44.313,935 11,937 57.077,938 66.82,939 72.95,941 294.278,942 164.406,943 87.754,945 5.807,946 294.278,947 38.566,948 52.434,950 155.352,951 294.278,952 164.406,953 87.754,955 0.595,956 0.333,957 0.173,958 0.1,959 28,960 12,961 0.078,962 5,963 1,964 1.074,965 4.372,966 318.373,967 0.074,968 27,969 152.465,973 1,974 22.442,975 9.123,976 4.953,977 0.779,978 163.119,979 7.259,980 17.989,984 3.419,986 32.897,987 546.437,988 47,991 -3.15,993 23.559,999 60.927,1000 68.77,1001 0.3,1002 0.623,1003 0.781,1004 0.84,1005 0.84,1006 0.84,1007 5.147,1008 1.743,1009 6.089,1010 5.701,1011 4.691,1012 5.196,1013 1.661,1014 6.938,1015 4.546,1016 6.377,1017 1.547,1018 7.676,1019 4.816,1020 4.443,1021 5.293,1022 0.57,1023 8.044,1024 4.226,1025 7.725,1026 1.389,1027 9.369,1028 4.581,1029 6.365,1030 7.499,1031 1.271,1032 11.079,1033 6.084,1034 9.112,1035 1.234,1036 11.128,1037 4.07,1038 6.909,1039 8.412,1040 0.581,1041 12.996,1042 6.558,1043 10.535,1044 1,1045 12.93,1046 2.943,1047 8.35,1048 10.169,1049 1.026,1050 15.608,1051 7.934,1052 11.983,1053 1,1054 14.762,1055 2.275,1056 9.242,1057 11.419,1058 0.515,1059 17.838,1060 8.756,1061 13.451,1062 1,1063 16.617,1064 2.275,1065 10.506,1066 13.02,1067 0.841,1068 20.323,1069 9.952,1070 3.314,1071 0.557,1072 18.488,1073 2.136,1074 11.554,1075 14.415,1076 0.441,1077 22.676,1078 10.93,1079 3.223,1080 11.657,1081 20.374,1082 1.615,1083 12.754,1084 15.957,1085 0.689,1086 25.122,1087 12.06,1088 2.779,1089 11.114,1090 22.27,1091 4.577,1092 13.873,1093 17.416,1094 0.373,1095 27.524,1096 13.106,1097 2.664,1098 8.938,1099 24.174,1100 4.51,1101 15.054,1102 18.937,1103 0.564,1104 29.962,1105 14.215,1106 2.449,1107 8.286,1108 26.086,1109 3.777,1110 16.205,1111 20.424,1112 0.314,1113 32.384,1114 15.293,1115 2.28,1116 7.274,1117 28.004,1118 3.242,1119 17.381,1120 21.938,1121 0.461,1122 34.821,1123 16.396,1124 1.954,1125 6.117,1126 29.927,1127 3.037,1128 18.548,1129 23.438,1130 0.264,1131 37.253,1132 17.489,1133 14759,1134 25547,1135 24.849,1136 38.915,1137 56.322,1138 57.77,1139 56.929,1140 56.431,1141 56.366,1142 71.325,1143 6.298,1144 167.867,1145 52.244,1146 5.743,1147 6.375,1148 6.913,1149 5.352,1150 5.314,1151 7.577,1152 1.776,1153 18.903,1154 4.965,1155 16.004,1156 1.522,1157 1.561,1158 1.539,1159 1.525,1160 1.523,1161 1.928,1162 0.17,1163 4.537,1164 1.412,1165 4.146,1166 4.198,1167 4.722,1168 3.986,1169 7.716,1170 3.998,1171 4.009,1172 4.005,1173 4.115,1174 3.933,1175 6.999,1176 3.829,1177 3.816,1178 3.872,1179 3.78,1180 3.649,1181 5.243,1182 3.672,1183 3.742,1184 3.798,1185 3.641,1186 3.528,1187 5.068,1188 3.539,1189 3.645,1190 3.679,1191 3.583,1192 3.461,1193 4.631,1194 3.446,1195 3.32,1196 3.383,1197 3.252,1198 3.139,1199 4.612,1200 3.153,1201 3.111,1202 3.206,1203 2.939,1204 2.941,1205 4.387,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.258,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.124,1220 4.375,1221 0.025,1222 7.111,1223 0.315,1224 4.248,1225 0.083,1226 3.314,1227 4.577,1228 0.916,1229 11.657,1230 3.077,1231 1.92,1232 1.875,1233 1.991,1234 2.109,1235 1.333,1236 2.077,1237 1.854,1238 1.843,1239 1.973,1240 2.044,1241 1.218,1242 2.068,1243 1.708,1244 1.654,1245 1.878,1246 1.934,1247 1.028,1248 1.918,1249 1.622,1250 1.593,1251 1.712,1252 1.835,1253 0.959,1254 1.829,1255 1.566,1256 1.514,1257 1.633,1258 1.769,1259 0.825,1260 1.791,1261 1.394,1262 1.346,1263 1.562,1264 1.579,1265 0.825,1266 1.596,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.807,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.699,1278 1.429,1279 4.317,1281 5.673,1282 2.398,1283 7.215,1284 4.727,1285 8.836,1286 6.843,1287 10.5,1289 1.259,1293 5.646,1295 5.722,1297 5.516,1300 5.927,1305 37.265,1306 106.309,1307 220.665,1308 276.639,1309 297.659,1310 297.659,1311 297.659,1312 57.611,1313 8.275,1314 135.08,1315 143.46,1316 29,1317 12.856,1318 4.248,1319 3.459,1320 47.716,1321 146,1322 141,1323 0.161,1324 229.427,1325 385.46,1326 551.561,1327 44798,1329 23.001,1330 0.697,1331 0.584,1332 23.251,1333 19.278,1334 15.864,1335 0.429,1336 0.343,1337 10.744,1338 14.167,1339 10.382,1340 8.475,1341 16.759,1342 12.682,1343 15.394,1344 0.285,1345 0.19,1346 16.781,1347 10.263,1348 12.298,1349 0.176,1350 0.103,1351 13.055,1352 7.237,1353 10.256,1354 0.11,1355 0.054,1356 10.772,1357 4.981,1358 8.624,1359 0.07,1360 0.028,1361 8.992,1362 3.429,1363 0.253,1364 110.458,1365 0.201,1366 30.586,1367 0.445,1368 182,1369 570.54,1370 240.571,1371 560.948,1372 764.42,1373 522,1374 215,1375 542.501,1376 282.168,1377 576.485,1378 841.64,1379 538,1380 8.081}
{0 CHEMBL2087479,1 1.97,2 12.568,3 1.718,4 2.953,5 130.724,6 8.597,7 0.39,8 4.293,9 4.41,10 4.075,11 3.717,12 5.395,13 3.738,14 4.912,15 5.093,16 4.453,17 4.119,18 6.46,19 4.141,20 5.109,21 5.311,22 4.441,23 4.311,24 6.296,25 4.278,26 5.196,27 5.41,28 4.447,29 4.334,30 6.358,31 4.299,32 5.249,33 5.497,34 4.485,35 4.271,36 6.616,37 4.259,38 5.117,39 5.344,40 4.372,41 4.261,42 6.282,43 4.232,44 5.063,45 5.259,46 4.407,47 4.252,48 6.255,49 4.225,50 5.165,51 5.403,52 4.421,53 4.204,54 6.408,55 4.189,56 0.314,57 1.217,58 13.342,59 5.152,60 44.688,61 6.296,62 1.492,63 2.167,64 30.555,65 8.62,66 186.925,67 10.828,68 1.326,69 2.12,70 38.166,71 11.429,72 125.352,73 14.739,74 1.21,75 2.326,76 42.049,77 12.951,78 140.183,79 17.396,80 1.908,81 2.356,82 45.15,83 10.966,84 208.107,85 16.405,86 1.469,87 2.172,88 38.024,89 11.132,90 117.041,91 14.535,92 1.066,93 2.151,94 30.926,95 11.193,96 82.118,97 14.949,98 1.448,99 2.27,100 41.356,101 11.137,102 146.965,103 15.478,104 54,105 62,106 0.314,107 0.611,108 0.76,109 0.813,110 0.813,111 0.813,112 3.643,113 0.982,114 -2.22,115 -2.26,116 -2.23,119 33.3,124 1,125 9,132 1,143 1,145 1,146 3,147 1,150 1,151 2,161 1,163 1,164 1,165 1,174 6,175 3,177 2,178 2,186 7,187 1,198 3,199 1,204 1,209 1,211 5,212 1,223 7,226 1,227 1,236 3,237 2,239 1,240 1,249 2,252 1,253 1,262 9,265 1,266 1,275 2569,276 24.062,277 24.062,278 24.062,279 24.062,280 24.062,281 21.956,282 32.216,283 13.746,284 25.18,285 20.299,286 20.299,287 20.299,288 20.299,289 20.299,290 16.852,291 44.235,292 6.611,293 22.226,294 4.008,295 2.147,296 1.215,297 0.881,298 0.881,299 0.881,300 4.341,306 1003,307 4.301,310 83.691,311 451.546,314 153.088,318 1.927,319 69.848,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 86,331 465,332 4.743,333 4.471,334 7.29,335 4.308,336 3.417,337 4.585,338 3.825,339 12.47,340 3.107,341 4.679,342 4.375,343 7.111,344 4.248,345 3.314,346 4.51,347 0.916,348 11.657,349 3.077,350 4.537,351 3.336,352 6.748,353 4.112,354 3.197,355 4.118,356 0.86,357 11.079,358 2.914,359 3.93,360 3.014,361 6.121,362 3.609,363 2.685,364 3.291,365 0.8,366 8.845,367 2.481,368 3.827,369 2.884,370 5.866,371 3.55,372 2.64,373 3.064,374 0.4,375 8.286,376 2.355,377 3.656,378 2.726,379 5.479,380 3.356,381 2.445,382 3.026,383 0.172,384 7.279,385 2.219,386 3.545,387 2.423,388 5.134,389 3.186,390 2.277,391 2.679,393 6.307,394 2.053,395 3.211,396 2.314,397 4.953,398 2.895,399 1.954,400 2.344,402 5.713,403 1.83,404 3.013,405 2.214,406 4.711,407 2.648,408 1.743,409 2.115,411 4.83,412 1.574,413 2.879,414 1.961,415 4.63,416 2.471,417 1.556,418 2.006,420 4.652,421 1.415,422 2.687,423 1.646,424 4.54,425 2.354,426 1.433,427 1.677,428 4.418,429 1.31,430 2.578,431 1.542,432 4.034,433 2.112,434 1.242,435 1.609,436 3.102,437 1.073,438 2.389,439 1.256,440 3.742,441 2.032,442 1.128,443 1.377,445 2.896,446 1.01,447 2,448 1.222,449 3.414,450 1.967,451 1,452 1,454 2.275,455 0.965,456 2,457 1.146,458 3.403,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.79,466 0.454,467 1.358,468 0.037,469 45.25,470 1.223,471 18,472 0.486,473 27.25,474 0.736,475 36.45,476 0.985,477 43.21,478 0.686,479 42.247,480 1.142,481 8.784,482 0.237,483 8.702,484 0.235,485 0.144,486 0.079,487 0.304,490 3,493 0.653,494 1.476,495 0.721,496 1.446,497 0.63,498 1.073,499 0.688,500 0.85,501 0.881,502 0.909,503 0.389,504 0.817,505 0.772,506 0.753,507 1.049,508 0.977,509 0.659,510 0.997,511 0.77,512 1.162,513 0.931,514 1.233,515 0.788,516 1.144,517 0.805,518 0.783,519 0.722,520 0.682,521 0.805,522 0.807,523 0.906,524 0.882,525 0.985,526 0.885,527 0.843,528 0.991,529 0.693,530 1.09,531 0.795,532 1.183,533 0.686,534 1.221,535 0.89,536 1.131,537 0.819,538 1.001,539 0.777,540 0.981,541 10.5,542 0.314,543 4.667,544 3.194,545 2.369,546 1.893,547 1.13,548 0.905,549 0.677,550 0.478,551 19984,552 72189,553 2.054,554 41.3,556 21,557 2,558 1,559 2,564 1.785,565 1.881,566 3.567,567 0.35,573 124.079,574 1.97,575 3.83,576 4.763,577 5.096,578 5.096,579 5.096,580 3.072,581 4.628,582 5.176,583 3.806,584 2534.94,585 9.139,586 40311.3,591 376.569,592 1.718,593 5.11,594 0.256,595 0.008,596 0.075,597 0.052,598 0.038,599 0.03,600 0.019,601 0.016,602 0.012,603 0.01,604 0.516,605 0.33,606 0.63,607 0.823,608 201.698,609 -0.044,610 -0.361,611 0.16,612 -0.215,613 -0.103,614 -0.055,615 0.207,616 0.183,617 0.051,618 0.108,619 0.391,620 0.117,621 -0.042,622 0.127,623 -0.128,624 0.041,625 -0.005,626 -0.012,627 -0.043,628 -0.276,629 -0.032,630 -0.217,631 -0.038,632 -0.108,633 0.104,634 0.129,635 0.128,636 0.143,637 0.089,638 0.148,639 -0.045,640 0.17,641 -0.124,642 0.053,643 -0.079,644 -0.02,645 0.04,646 -0.131,647 -0.021,648 -0.219,649 -0.016,650 -0.209,652 -0.165,653 0.085,654 -0.081,655 0.035,656 0.008,657 6.004,658 5.783,659 0.73,660 42.606,661 1.037,662 1.162,663 0.989,664 0.979,665 0.643,666 3.738,667 4.143,668 4.382,669 4.682,670 4.97,671 5.112,672 5.347,673 5.537,674 5.707,675 5.878,676 7.606,677 0.634,678 541.63,679 3.738,680 5.333,681 6.192,682 7.109,683 7.993,684 8.91,685 9.805,686 10.723,687 11.625,688 12.544,689 14.3,692 2,693 1,695 1,697 1,699 4,703 1,704 3,705 4,709 6,711 16,722 1,726 1,731 63,733 18,735 41,737 67,738 21,739 10,746 5,747 6,752 1,757 1,761 10,762 11,766 2,769 1,771 2,779 3,781 26,782 14,783 2,784 16,785 1,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 1,846 3,848 37,849 1,852 1,854 9,856 1,859 3,860 1,869 3,870 4.8,873 2,874 1,877 19.667,878 11.529,879 7.639,880 3.588,881 3.203,882 1.375,883 1.005,884 7.026,885 11.743,886 3.951,887 4.603,888 5.114,889 5.734,890 6.312,891 6.746,892 7.266,893 7.747,894 8.125,895 8.521,896 1,897 62,898 14.588,900 7.182,901 8.225,902 25.527,904 21.586,905 2.725,906 100.833,910 282.506,911 89.222,912 109.093,914 55.313,915 44.88,916 5.807,917 83.415,918 337.819,919 153.973,920 7.19,921 23.925,922 56.799,923 135.941,924 74.437,925 27.769,926 247.193,927 7.76,928 282.506,929 192.508,930 100.193,931 5.807,933 282.506,934 89.193,935 11,937 58.546,938 66.82,939 72.95,941 327.387,942 164.406,943 89.222,945 5.807,946 290.266,947 41.323,948 43.386,950 200.232,951 282.506,952 209.286,953 89.222,955 0.606,956 0.333,957 0.175,958 0.103,959 32,960 15,961 0.075,962 5,963 1,964 1.074,965 4.505,966 379.461,967 0.074,968 27,969 177.995,973 1,974 26.077,975 9.969,976 5.663,977 0.5,978 208,979 4.252,980 16.527,984 -0.78,986 32.897,987 581.015,988 51,991 -3.244,993 23.59,999 65.349,1000 73.204,1001 0.33,1002 0.641,1003 0.797,1004 0.853,1005 0.853,1006 0.853,1007 5.257,1008 1.954,1009 6.256,1010 6.307,1011 4.828,1012 5.291,1013 3.223,1014 7.152,1015 4.656,1016 6.512,1017 1.743,1018 7.878,1019 5.713,1020 4.745,1021 5.466,1022 3.919,1023 8.416,1024 4.44,1025 7.879,1026 1.556,1027 9.612,1028 4.83,1029 6.575,1030 7.604,1031 5.432,1032 11.441,1033 6.233,1034 9.283,1035 1.433,1036 11.413,1037 4.652,1038 7.245,1039 8.554,1040 6.691,1041 13.47,1042 6.777,1043 10.72,1044 1.242,1045 13.256,1046 4.418,1047 8.648,1048 10.281,1049 8.058,1050 16.113,1051 8.127,1052 12.18,1053 1.128,1054 15.128,1055 3.102,1056 9.626,1057 11.546,1058 9.389,1059 18.423,1060 8.995,1061 13.658,1062 1,1063 17.02,1064 2.896,1065 10.886,1066 13.132,1067 10.734,1068 20.955,1069 10.187,1070 3.417,1071 1,1072 18.929,1073 2.275,1074 11.993,1075 14.531,1076 12.074,1077 23.372,1078 11.195,1079 3.314,1080 12.47,1081 20.849,1082 2.136,1083 13.207,1084 16.066,1085 13.416,1086 25.871,1087 12.332,1088 3.197,1089 11.657,1090 22.779,1091 4.585,1092 14.367,1093 17.523,1094 14.758,1095 28.331,1096 13.401,1097 2.685,1098 11.079,1099 24.716,1100 4.51,1101 15.569,1102 19.039,1103 16.1,1104 30.822,1105 14.52,1106 2.64,1107 8.845,1108 26.658,1109 4.118,1110 16.754,1111 20.523,1112 17.441,1113 33.301,1114 15.615,1115 2.445,1116 8.286,1117 28.606,1118 3.291,1119 17.955,1120 22.032,1121 18.783,1122 35.794,1123 16.731,1124 2.277,1125 7.279,1126 30.558,1127 3.064,1128 19.151,1129 23.529,1130 20.124,1131 38.282,1132 17.838,1133 19054,1134 36476,1135 26.641,1136 40.489,1137 63.449,1138 64.412,1139 64.061,1140 63.549,1141 63.297,1142 78.442,1143 13.948,1144 195.456,1145 57.784,1146 5.743,1147 6.471,1148 7.092,1149 5.412,1150 5.417,1151 7.585,1152 5.335,1153 20.227,1154 5.015,1155 22.256,1156 1.548,1157 1.571,1158 1.562,1159 1.55,1160 1.544,1161 1.913,1162 0.34,1163 4.767,1164 1.409,1165 4.15,1166 4.201,1167 4.722,1168 3.989,1169 8.513,1170 4.004,1171 4.009,1172 4.005,1173 4.121,1174 3.935,1175 7.999,1176 3.829,1177 3.863,1178 3.911,1179 3.853,1180 3.687,1181 7.999,1182 3.718,1183 3.742,1184 3.798,1185 3.643,1186 3.529,1187 7.716,1188 3.539,1189 3.647,1190 3.68,1191 3.585,1192 3.464,1193 6.999,1194 3.449,1195 3.322,1196 3.384,1197 3.334,1198 3.145,1199 5.226,1200 3.159,1201 3.308,1202 3.37,1203 3.252,1204 2.941,1205 5.068,1206 3.004,1207 3.111,1208 3.206,1209 2.926,1210 2.941,1211 4.621,1212 2.91,1213 0.116,1214 0.109,1215 0.178,1216 0.105,1217 0.083,1218 4.743,1219 0.112,1220 4.471,1221 0.093,1222 7.29,1223 0.304,1224 4.308,1225 0.076,1226 3.417,1227 4.585,1228 3.825,1229 12.47,1230 3.107,1231 1.926,1232 1.884,1233 1.989,1234 2.113,1235 1.333,1236 2.079,1237 1.854,1238 1.843,1239 1.973,1240 2.044,1241 1.218,1242 2.068,1243 1.722,1244 1.671,1245 1.875,1246 1.95,1247 1.04,1248 1.925,1249 1.626,1250 1.596,1251 1.709,1252 1.846,1253 0.962,1254 1.832,1255 1.572,1256 1.523,1257 1.632,1258 1.77,1259 0.825,1260 1.796,1261 1.394,1262 1.346,1263 1.562,1264 1.579,1265 0.825,1266 1.596,1267 1.153,1268 1.064,1269 1.513,1270 1.464,1271 0.815,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.728,1278 1.429,1279 4.419,1281 5.802,1282 2.398,1283 7.363,1284 4.727,1285 9.004,1286 6.843,1287 10.69,1289 1.193,1291 41.348,1293 5.443,1295 4.22,1297 5.431,1300 5.448,1301 -4.754,1305 39.942,1306 124.079,1307 241.31,1308 300.039,1309 321.059,1310 321.059,1311 321.059,1312 91.695,1313 8.54,1314 135.08,1315 143.46,1316 29,1317 13.056,1318 4.248,1319 3.459,1320 56.514,1321 169,1322 177,1323 0.165,1324 242.614,1325 420.97,1326 583.738,1327 61296,1328 4.8,1329 26.372,1330 0.713,1331 0.563,1332 24.122,1333 20.834,1334 17.486,1335 0.426,1336 0.327,1337 11.413,1338 15.502,1339 11.104,1340 9.007,1341 17.169,1342 13.426,1343 17.929,1344 0.289,1345 0.176,1346 17.321,1347 10.921,1348 13.455,1349 0.17,1350 0.096,1351 13.431,1352 7.621,1353 11.428,1354 0.107,1355 0.05,1356 11.369,1357 5.3,1358 9.813,1359 0.069,1360 0.025,1361 9.105,1362 3.622,1363 0.256,1364 122.394,1365 0.194,1366 33.319,1367 0.459,1368 206,1369 854.873,1370 281.921,1371 749.259,1372 985.99,1373 692,1374 244,1375 679.853,1376 322.601,1377 693.73,1378 1037.87,1379 647,1380 7.991}
{0 CHEMBL2087482,1 1.727,2 12.343,3 1.103,4 1.216,5 133.959,6 7.601,7 0.41,8 4.311,9 4.439,10 4.017,11 3.764,12 5.321,13 3.747,14 4.916,15 5.113,16 4.335,17 4.172,18 6.06,19 4.149,20 5.159,21 5.373,22 4.37,23 4.381,24 6.156,25 4.311,26 5.28,27 5.518,28 4.365,29 4.453,30 6.211,31 4.346,32 5.329,33 5.592,34 4.366,35 4.446,36 6.278,37 4.342,38 5.284,39 5.528,40 4.284,41 4.402,42 6.286,43 4.305,44 5.18,45 5.433,46 4.22,47 4.317,48 6.077,49 4.211,50 5.101,51 5.35,52 4.208,53 4.222,54 6.079,55 4.134,56 0.133,57 1.091,58 17.295,59 5.401,60 19.416,61 7.646,62 0.725,63 1.7,64 33.194,65 9.018,66 70.67,67 13.022,68 0.859,69 2.054,70 43.15,71 12.206,72 67.788,73 17.325,74 0.73,75 2.196,76 48.14,77 14.362,78 84.105,79 21.244,80 0.898,81 2.194,82 54.722,83 15.024,84 80.874,85 22.473,86 1.035,87 2.109,88 48.009,89 13.395,90 98.003,91 20.024,92 0.647,93 1.919,94 42.227,95 12.732,96 58.659,97 19.446,98 0.619,99 1.795,100 39.819,101 10.877,102 61.585,103 17.197,104 38,105 58,106 0.273,107 0.587,108 0.769,109 0.792,110 0.792,111 0.792,112 3.589,113 1.041,114 -1.84,115 -1.9,116 -1.91,119 33.3,120 2,124 1,125 7,127 2,143 1,145 2,146 2,147 1,150 1,151 2,161 1,163 1,164 1,165 1,174 6,175 5,177 2,178 2,186 7,187 3,198 3,199 1,204 1,207 1,209 1,211 5,212 7,223 7,224 2,226 1,227 1,236 3,237 2,239 1,240 1,249 2,250 4,252 1,253 1,262 9,265 1,266 1,271 2,275 2092,276 23.09,277 23.09,278 23.09,279 23.09,280 23.09,281 20.946,282 30.923,283 13.254,284 23.949,285 19.283,286 19.283,287 19.283,288 19.283,289 19.283,290 15.872,291 45.235,292 6.371,293 20.728,294 4.318,295 2.335,296 1.186,297 1.034,298 1.034,299 1.034,300 4.29,306 939,307 3.606,310 77.708,311 427.488,314 145.363,318 1.819,319 41.202,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.5,328 0.5,329 0.59,330 77.5,331 432,332 4.75,333 4.376,334 7.128,335 4.282,336 3.346,337 4.577,338 0.916,339 11.757,340 3.115,341 4.638,342 3.358,343 6.754,344 4.157,345 3.224,346 4.512,347 0.86,348 11.116,349 3.008,350 4.157,351 3.261,352 6.399,353 3.858,354 2.923,355 3.777,356 0.8,357 9.709,358 2.734,359 3.989,360 2.856,361 6.106,362 3.728,363 2.766,364 3.254,365 0.4,366 8.933,367 2.652,368 3.797,369 2.778,370 5.844,371 3.504,372 2.583,373 3.04,374 0.172,375 8.156,376 2.381,377 3.66,378 2.435,379 5.127,380 3.207,381 2.292,382 2.956,384 6.228,385 2.093,386 3.292,387 2.316,388 5.037,389 2.953,390 2.009,391 2.525,393 5.994,394 1.89,395 3.013,396 2.217,397 4.879,398 2.856,399 1.879,400 2.119,402 5.225,403 1.833,404 2.879,405 2.015,406 4.692,407 2.653,408 1.749,409 2.015,411 4.85,412 1.578,413 2.872,414 1.982,415 4.649,416 2.47,417 1.554,418 1.879,420 4.75,421 1.419,422 2.703,423 1.548,424 4.378,425 2.344,426 1.4,427 1.69,428 4.094,429 1.316,430 2.5,431 1.44,432 3.755,433 2.106,434 1.235,435 1.5,436 2.944,437 1.069,438 2.388,439 1.256,440 3.453,441 1.952,442 1,443 1.376,445 2.275,446 0.946,447 2,448 1,449 3.414,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.941,457 0.774,458 3.396,459 1.488,460 0.57,461 0.757,463 1.634,464 0.521,465 16.433,466 0.47,467 1.158,468 0.033,469 43.5,470 1.243,471 18,472 0.514,473 25.5,474 0.729,475 35.986,476 1.028,477 39.967,478 0.606,479 35.682,480 1.019,481 8.047,482 0.23,483 8.639,484 0.247,485 0.156,486 0.051,487 0.341,493 0.75,494 1.857,495 0.818,496 1.454,497 0.737,498 1.108,499 0.996,500 1.125,501 0.953,502 0.943,503 0.532,504 0.84,505 1.168,506 0.985,507 1.154,508 1,509 1.023,510 1.013,511 0.911,512 1.15,513 0.989,514 1.093,515 1.045,516 1.11,517 0.778,518 0.999,519 0.967,520 0.993,521 0.757,522 0.913,523 1.091,524 0.898,525 1.027,526 0.915,527 1.236,528 1.043,529 0.773,530 1.051,531 0.809,532 0.985,533 0.689,534 1.045,535 0.797,536 1.231,537 0.846,538 1.044,539 0.516,540 1.036,541 9,542 0.277,543 4.444,544 2.632,545 2.582,546 1.511,547 0.99,548 0.53,549 0.575,550 0.503,551 17566,552 49677,553 2.082,554 47,556 19,557 2,558 2,559 2,561 6,564 1.771,565 1.918,566 3.549,567 0.304,573 113.958,574 1.727,575 3.71,576 4.859,577 5.01,578 5.01,579 5.01,580 3.005,581 4.4,582 5.098,583 3.76,584 2237.11,585 8.976,586 34207.7,591 398.93,592 1.628,593 5.041,594 0.231,595 0.007,596 0.077,597 0.045,598 0.046,599 0.026,600 0.019,601 0.011,602 0.012,603 0.012,604 0.484,605 0.33,606 0.63,607 0.729,608 187.669,609 0.021,610 -0.494,611 0.204,612 -0.21,613 -0.134,614 -0.049,615 0.076,616 0.043,617 0.049,618 0.085,619 0.273,620 0.12,621 -0.152,622 0.134,623 -0.167,624 0.023,625 -0.097,626 -0.039,627 -0.08,628 -0.117,629 -0.067,630 -0.087,631 -0.112,632 -0.098,633 0.045,634 -0.02,635 0.035,636 0.022,637 0.049,638 0.097,639 -0.099,640 0.11,641 -0.146,642 -0.002,643 -0.173,644 -0.079,645 0.007,646 -0.065,647 0.03,648 -0.054,649 -0.028,650 -0.039,651 0.027,652 -0.222,653 0.043,654 -0.104,655 0.089,656 -0.047,657 4.132,658 5.071,659 0.771,660 38.007,661 1.011,662 1.145,663 0.614,664 0.376,665 0.643,666 3.689,667 4.078,668 4.344,669 4.635,670 4.934,671 5.063,672 5.283,673 5.455,674 5.606,675 5.799,676 7.354,677 0.611,678 501.69,679 3.689,680 5.273,681 6.138,682 7.045,683 7.932,684 8.841,685 9.739,686 10.649,687 11.553,688 12.465,689 13.6,692 2,693 1,695 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,722 1,726 1,731 66,733 18,735 39,737 70,738 22,739 10,746 5,747 6,752 2,755 2,758 2,761 10,762 12,766 2,769 1,771 2,781 31,782 11,783 2,784 13,785 1,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 3,848 35,849 1,852 1,854 7,856 1,858 2,859 3,870 4.5,873 2,874 1,877 18.25,878 12.6,879 7.333,880 3.889,881 2.983,882 1.355,883 0.986,884 6.679,885 11.389,886 3.912,887 4.551,888 5.059,889 5.658,890 6.242,891 6.656,892 7.171,893 7.656,894 8.001,895 8.413,896 1,897 59,898 13.144,900 5.84,901 7.774,902 25.018,904 21.229,905 2.274,906 79.583,910 341.362,911 101.193,912 109.093,914 55.313,916 5.807,917 95.385,918 396.675,919 109.093,920 24.841,921 19.713,922 56.799,923 147.712,924 35.848,925 27.769,926 294.278,928 341.362,929 204.478,930 55.313,931 5.807,933 270.735,934 114.94,935 11,937 70.516,938 66.82,939 72.95,941 341.362,942 164.406,943 101.193,945 5.807,946 341.362,947 34.355,948 70.084,950 155.352,951 341.362,952 164.406,953 101.193,955 0.601,956 0.341,957 0.179,958 0.107,959 30,960 14,961 0.071,962 5,963 1,964 1.074,965 4.411,966 350.545,967 0.074,968 27,969 163.525,973 1,974 24.348,975 9.6,976 5.129,977 0.775,978 163.119,979 7.286,980 18.122,984 3.402,986 32.897,987 606.96,988 49,991 -3.216,993 24.141,999 66.694,1000 75.6,1001 0.286,1002 0.614,1003 0.804,1004 0.829,1005 0.829,1006 0.829,1007 5.204,1008 1.879,1009 6.176,1010 5.994,1011 4.762,1012 5.239,1013 1.661,1014 7.047,1015 4.624,1016 6.439,1017 1.749,1018 7.779,1019 5.225,1020 4.575,1021 5.352,1022 0.57,1023 8.169,1024 4.373,1025 7.791,1026 1.554,1027 9.488,1028 4.85,1029 6.457,1030 7.529,1031 1.271,1032 11.221,1033 6.185,1034 9.178,1035 1.4,1036 11.258,1037 4.75,1038 7.04,1039 8.443,1040 0.581,1041 13.129,1042 6.702,1043 10.6,1044 1.235,1045 13.067,1046 4.094,1047 8.461,1048 10.188,1049 1.026,1050 15.755,1051 8.054,1052 12.046,1053 1,1054 14.904,1055 2.944,1056 9.375,1057 11.435,1058 0.515,1059 17.972,1060 8.9,1061 13.511,1062 1,1063 16.761,1064 2.275,1065 10.631,1066 13.031,1067 0.841,1068 20.462,1069 10.087,1070 3.346,1071 0.57,1072 18.633,1073 2.136,1074 11.691,1075 14.423,1076 0.441,1077 22.805,1078 11.077,1079 3.224,1080 11.757,1081 20.518,1082 1.634,1083 12.888,1084 15.964,1085 0.689,1086 25.253,1087 12.204,1088 2.923,1089 11.116,1090 22.412,1091 4.577,1092 14.013,1093 17.42,1094 0.373,1095 27.649,1096 13.258,1097 2.766,1098 9.709,1099 24.314,1100 4.512,1101 15.194,1102 18.941,1103 0.564,1104 30.086,1105 14.367,1106 2.583,1107 8.933,1108 26.222,1109 3.777,1110 16.348,1111 20.427,1112 0.314,1113 32.507,1114 15.451,1115 2.292,1116 8.156,1117 28.137,1118 3.254,1119 17.526,1120 21.941,1121 0.461,1122 34.944,1123 16.557,1124 2.009,1125 6.228,1126 30.055,1127 3.04,1128 18.696,1129 23.441,1130 0.264,1131 37.377,1132 17.655,1133 16623,1134 28113,1135 25.66,1136 42.438,1137 60.157,1138 61.54,1139 61.337,1140 60.047,1141 60.047,1142 75.028,1143 6.298,1144 182.321,1145 55.874,1146 5.75,1147 6.376,1148 6.93,1149 5.386,1150 5.346,1151 7.577,1152 1.776,1153 19.003,1154 5.004,1155 19.773,1156 1.542,1157 1.578,1158 1.573,1159 1.54,1160 1.54,1161 1.924,1162 0.161,1163 4.675,1164 1.433,1165 4.149,1166 4.201,1167 4.722,1168 3.994,1169 7.716,1170 4.002,1171 4.02,1172 4.024,1173 4.117,1174 3.934,1175 6.999,1176 3.846,1177 3.817,1178 3.872,1179 3.783,1180 3.656,1181 5.243,1182 3.674,1183 3.749,1184 3.8,1185 3.694,1186 3.576,1187 5.068,1188 3.557,1189 3.7,1190 3.725,1191 3.611,1192 3.503,1193 4.631,1194 3.507,1195 3.367,1196 3.452,1197 3.263,1198 3.217,1199 4.612,1200 3.19,1201 3.331,1202 3.395,1203 3.151,1204 3.152,1205 4.416,1206 3.168,1207 3.111,1208 3.206,1209 2.939,1210 2.941,1211 4.306,1212 2.91,1213 0.122,1214 0.112,1215 0.183,1216 0.11,1217 0.086,1218 4.75,1219 0.117,1220 4.376,1221 0.023,1222 7.128,1223 0.301,1224 4.282,1225 0.08,1226 3.346,1227 4.577,1228 0.916,1229 11.757,1230 3.115,1231 1.92,1232 1.876,1233 2.024,1234 2.109,1235 1.382,1236 2.091,1237 1.887,1238 1.865,1239 1.989,1240 2.069,1241 1.218,1242 2.075,1243 1.708,1244 1.655,1245 1.879,1246 1.934,1247 1.028,1248 1.918,1249 1.638,1250 1.629,1251 1.733,1252 1.836,1253 0.972,1254 1.847,1255 1.578,1256 1.524,1257 1.714,1258 1.784,1259 0.97,1260 1.799,1261 1.433,1262 1.385,1263 1.633,1264 1.611,1265 0.828,1266 1.655,1267 1.405,1268 1.325,1269 1.59,1270 1.606,1271 0.825,1272 1.622,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.7,1278 1.429,1279 4.369,1281 5.74,1282 2.398,1283 7.294,1284 4.727,1285 8.93,1286 6.843,1287 10.612,1289 5.39,1293 5.668,1295 4.288,1297 5.539,1299 0.134,1300 6.053,1305 40.319,1306 113.958,1307 244.834,1308 320.665,1309 330.665,1310 330.665,1311 330.665,1312 67.266,1313 8.405,1314 135.08,1315 143.46,1316 29,1317 12.98,1318 4.248,1319 3.459,1320 52.016,1321 158,1322 153,1323 0.165,1324 248.612,1325 420.06,1326 598.372,1327 51914,1329 24.742,1330 0.707,1331 0.601,1332 24.992,1333 21.018,1334 16.686,1335 0.428,1336 0.347,1337 11.604,1338 14.995,1339 11.117,1340 9.146,1341 17.58,1342 13.537,1343 16.463,1344 0.284,1345 0.194,1346 17.85,1347 11.275,1348 13.165,1349 0.173,1350 0.103,1351 13.895,1352 7.866,1353 10.981,1354 0.108,1355 0.056,1356 11.521,1357 5.756,1358 9.579,1359 0.069,1360 0.031,1361 10.224,1362 4.32,1363 0.257,1364 115.311,1365 0.197,1366 31.874,1367 0.459,1368 194,1369 582.54,1370 253.237,1371 574.154,1372 785.48,1373 534,1374 231,1375 563.205,1376 298.834,1377 598.133,1378 873.84,1379 558,1380 6.613}
{0 CHEMBL2087483,1 1.749,2 12.353,3 0.725,4 0.526,5 129.541,6 7.741,7 0.421,8 4.272,9 4.398,10 3.996,11 3.722,12 5.289,13 3.711,14 4.873,15 5.068,16 4.304,17 4.128,18 6.036,19 4.109,20 5.106,21 5.318,22 4.343,23 4.33,24 6.109,25 4.258,26 5.204,27 5.436,28 4.298,29 4.368,30 6.188,31 4.271,32 5.237,33 5.495,34 4.214,35 4.309,36 6.226,37 4.22,38 5.115,39 5.376,40 4.208,41 4.274,42 6.007,43 4.181,44 5.012,45 5.224,46 4.185,47 4.225,48 6.002,49 4.142,50 5.083,51 5.349,52 4.133,53 4.157,54 6.033,55 4.065,56 0.144,57 1.052,58 16.244,59 5.093,60 19.25,61 7.111,62 0.742,63 1.631,64 31.532,65 8.498,66 69.037,67 12.092,68 0.856,69 1.946,70 40.463,71 11.676,72 68.692,73 16.204,74 0.709,75 2.026,76 47.956,77 13.617,78 77.228,79 19.549,80 1.06,81 1.936,82 45.407,83 12.052,84 103.352,85 18.744,86 0.775,87 1.857,88 40.7,89 11.747,90 49.741,91 17.894,92 0.52,93 1.751,94 33.03,95 10.744,96 50.388,97 15.859,98 0.735,99 1.69,100 40.302,101 10.281,102 65.189,103 16.429,104 27,105 56,106 0.279,107 0.595,108 0.78,109 0.833,110 0.833,111 0.833,112 3.561,113 1.035,114 -1.62,115 -1.69,116 -1.73,119 33.3,120 1,124 1,125 8,127 1,143 1,145 2,146 2,147 1,150 1,151 2,161 1,163 1,164 1,165 1,174 6,175 4,177 2,178 2,186 7,187 2,198 3,199 3,204 1,209 1,211 5,212 1,223 7,224 1,226 1,227 1,236 3,237 3,239 1,240 1,249 2,252 1,253 1,262 9,263 2,265 1,266 1,275 1998,276 22.59,277 22.59,278 22.59,279 22.59,280 22.59,281 20.446,282 29.342,283 13.06,284 23.459,285 18.809,286 18.809,287 18.809,288 18.809,289 18.809,290 15.403,291 42.431,292 6.283,293 20.254,294 4.229,295 2.248,296 1.091,297 0.754,298 0.754,299 0.754,300 4.265,305 1,306 916,307 3.536,310 76.372,311 416.07,314 142.403,318 1.882,319 40.274,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 75.5,331 420,332 4.766,333 4.384,334 7.236,335 4.309,336 3.373,337 4.577,338 0.916,339 12.152,340 3.142,341 4.638,342 3.336,343 6.753,344 4.156,345 3.223,346 4.519,347 0.86,348 11.114,349 3.007,350 4.153,351 3.066,352 6.107,353 3.744,354 2.781,355 3.777,356 0.8,357 8.938,358 2.678,359 3.868,360 2.85,361 5.869,362 3.608,363 2.678,364 3.242,365 0.4,366 8.309,367 2.487,368 3.67,369 2.777,370 5.626,371 3.429,372 2.508,373 3.037,374 0.172,375 7.608,376 2.307,377 3.637,378 2.517,379 5.265,380 3.206,381 2.291,382 2.737,384 6.425,385 2.094,386 3.322,387 2.352,388 5.045,389 3.027,390 2.088,391 2.502,393 6.079,394 1.951,395 3.014,396 2.253,397 4.841,398 2.743,399 1.821,400 2.124,402 5.279,403 1.676,404 2.957,405 1.966,406 4.675,407 2.605,408 1.687,409 2.051,411 4.794,412 1.544,413 2.813,414 1.548,415 4.375,416 2.348,417 1.4,418 1.883,420 4.08,421 1.323,422 2.5,423 1.519,424 4.034,425 2.215,426 1.266,427 1.5,428 3.291,429 1.196,430 2.388,431 1.432,432 3.755,433 2.106,434 1.234,435 1.376,436 2.944,437 1.069,438 2.313,439 1.256,440 3.414,441 1.952,442 1,443 1.299,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.649,458 3.247,459 1.471,460 0.557,461 0.754,463 1.615,464 0.508,465 15.933,466 0.469,467 1.069,468 0.031,469 43,470 1.265,471 18,472 0.529,473 25,474 0.735,475 32.719,476 0.962,477 38.667,478 0.614,479 34.78,480 1.023,481 8.07,482 0.237,483 8.205,484 0.241,485 0.13,486 0.052,487 0.32,493 0.754,494 1.868,495 0.806,496 1.454,497 0.727,498 1.095,499 1.017,500 1.101,501 0.972,502 0.932,503 0.538,504 0.836,505 1.153,506 0.965,507 1.129,508 0.98,509 1.046,510 1.01,511 0.906,512 1.221,513 1.162,514 1.272,515 1.01,516 1.132,517 1.098,518 0.9,519 0.851,520 0.751,521 1.333,522 0.914,523 0.616,524 0.844,525 0.82,526 0.846,527 0.364,528 0.897,529 0.849,530 1.278,531 0.924,532 1.195,533 0.821,534 1.256,535 0.845,536 1.054,537 0.842,538 0.913,539 0.511,540 0.94,541 8.5,542 0.244,543 4,544 2.819,545 1.671,546 1.622,547 0.797,548 0.559,549 0.432,550 0.408,551 16725,552 48226,553 2.102,554 46,556 20,557 2,558 2,559 2,561 3,564 1.763,565 1.952,566 3.57,567 0.323,573 110.164,574 1.749,575 3.729,576 4.886,577 5.223,578 5.223,579 5.223,580 3.044,581 4.631,582 5.055,583 3.772,584 2116.01,585 8.885,586 31986.5,591 376.569,592 1.583,593 5.007,594 0.224,595 0.007,596 0.071,597 0.05,598 0.031,599 0.032,600 0.016,601 0.012,602 0.01,603 0.01,604 0.464,605 0.33,606 0.63,607 0.706,608 181.332,609 0.012,610 -0.511,611 0.206,612 -0.219,613 -0.13,614 -0.052,615 0.052,616 0.063,617 0.024,618 0.088,619 0.265,620 0.113,621 -0.149,622 0.14,623 -0.143,624 0.046,625 -0.113,626 -0.037,627 -0.064,628 -0.18,629 -0.129,630 -0.187,631 -0.045,632 -0.107,633 -0.095,634 0.032,635 -0.02,636 0.099,637 -0.176,638 0.043,639 0.094,640 0.166,641 0.055,642 0.084,643 0.062,644 0.098,645 -0.044,646 -0.197,647 -0.117,648 -0.233,649 -0.101,650 -0.253,651 -0.002,652 -0.093,653 0.063,654 -0.006,655 0.091,656 0.036,657 4.116,658 4.99,659 0.794,660 38,661 1.013,662 1.146,663 0.395,664 0.156,665 0.646,666 3.664,667 4.043,668 4.304,669 4.605,670 4.852,671 5.024,672 5.22,673 5.425,674 5.565,675 5.749,676 7.391,677 0.616,678 487.66,679 3.664,680 5.242,681 6.103,682 7.008,683 7.886,684 8.796,685 9.684,686 10.597,687 11.49,688 12.405,689 14.3,692 2,693 1,695 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,722 1,726 1,731 63,733 18,735 38,737 67,738 21,739 10,746 5,747 6,752 1,755 1,758 1,761 10,762 11,766 2,769 1,771 2,781 29,782 11,783 2,784 13,785 1,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 2,848 34,849 1,852 1,854 8,856 1,858 1,859 3,870 4.8,873 2,874 1,877 17.417,878 11.767,879 7.139,880 3.672,881 2.996,882 1.359,883 0.997,884 6.441,885 11.338,886 3.892,887 4.53,888 5.039,889 5.654,890 6.208,891 6.643,892 7.146,893 7.633,894 7.98,895 8.382,896 1,897 56,898 12.762,900 5.673,901 7.787,902 24.261,904 20.541,905 2.287,906 77.75,910 317.82,911 94.473,912 109.093,914 55.313,916 5.807,917 88.666,918 373.133,919 109.093,920 16.016,921 21.819,922 56.799,923 147.712,924 35.848,925 27.769,926 270.735,928 317.82,929 197.759,930 55.313,931 5.807,933 282.506,934 79.626,935 11,937 63.796,938 66.82,939 72.95,941 317.82,942 164.406,943 94.473,945 5.807,946 317.82,947 36.46,948 61.259,950 155.352,951 317.82,952 164.406,953 94.473,955 0.598,956 0.336,957 0.181,958 0.098,959 29,960 13,961 0.075,962 5,963 1,964 1.074,965 4.397,966 333.691,967 0.074,968 27,969 162.974,973 1,974 23.394,975 9.361,976 5.046,977 0.778,978 163.119,979 7.269,980 18.041,984 3.411,986 32.897,987 576.699,988 48,991 -3.199,993 23.98,999 63.811,1000 72.185,1001 0.293,1002 0.624,1003 0.817,1004 0.874,1005 0.874,1006 0.874,1007 5.176,1008 1.821,1009 6.133,1010 6.079,1011 4.727,1012 5.218,1013 1.661,1014 6.997,1015 4.586,1016 6.409,1017 1.687,1018 7.729,1019 5.279,1020 4.511,1021 5.323,1022 0.57,1023 8.116,1024 4.302,1025 7.758,1026 1.4,1027 9.431,1028 4.794,1029 6.412,1030 7.514,1031 1.271,1032 11.173,1033 6.136,1034 9.145,1035 1.266,1036 11.197,1037 4.08,1038 6.976,1039 8.427,1040 0.581,1041 13.106,1042 6.635,1043 10.568,1044 1.234,1045 13.006,1046 3.291,1047 8.409,1048 10.179,1049 1.026,1050 15.747,1051 8.001,1052 12.016,1053 1,1054 14.845,1055 2.944,1056 9.317,1057 11.429,1058 0.515,1059 18.002,1060 8.842,1061 13.484,1062 1,1063 16.708,1064 2.275,1065 10.582,1066 13.029,1067 0.841,1068 20.52,1069 10.038,1070 3.373,1071 0.557,1072 18.588,1073 2.136,1074 11.645,1075 14.424,1076 0.441,1077 22.904,1078 11.033,1079 3.223,1080 12.152,1081 20.484,1082 1.615,1083 12.851,1084 15.966,1085 0.689,1086 25.386,1087 12.17,1088 2.781,1089 11.114,1090 22.391,1091 4.577,1092 13.985,1093 17.425,1094 0.373,1095 27.824,1096 13.232,1097 2.678,1098 8.938,1099 24.308,1100 4.519,1101 15.175,1102 18.947,1103 0.564,1104 30.298,1105 14.352,1106 2.508,1107 8.309,1108 26.233,1109 3.777,1110 16.34,1111 20.435,1112 0.314,1113 32.759,1114 15.446,1115 2.291,1116 7.608,1117 28.165,1118 3.242,1119 17.529,1120 21.95,1121 0.461,1122 35.234,1123 16.563,1124 2.088,1125 6.425,1126 30.102,1127 3.037,1128 18.71,1129 23.451,1130 0.264,1131 37.706,1132 17.673,1133 15768,1134 26927,1135 25.255,1136 40.676,1137 58.064,1138 59.493,1139 59.125,1140 58.024,1141 57.988,1142 72.944,1143 6.298,1144 174.557,1145 53.851,1146 5.766,1147 6.384,1148 7.038,1149 5.413,1150 5.373,1151 7.577,1152 1.776,1153 19.588,1154 5.03,1155 17.987,1156 1.528,1157 1.566,1158 1.556,1159 1.527,1160 1.526,1161 1.92,1162 0.166,1163 4.594,1164 1.417,1165 4.147,1166 4.199,1167 4.723,1168 3.992,1169 7.716,1170 4,1171 4.018,1172 4.019,1173 4.116,1174 3.936,1175 6.999,1176 3.844,1177 3.816,1178 3.872,1179 3.781,1180 3.65,1181 5.243,1182 3.672,1183 3.743,1184 3.798,1185 3.655,1186 3.537,1187 5.068,1188 3.54,1189 3.661,1190 3.687,1191 3.602,1192 3.488,1193 4.631,1194 3.469,1195 3.359,1196 3.43,1197 3.272,1198 3.184,1199 4.612,1200 3.189,1201 3.25,1202 3.334,1203 3.059,1204 3.073,1205 4.396,1206 3.06,1207 3.111,1208 3.206,1209 2.934,1210 2.941,1211 4.29,1212 2.91,1213 0.125,1214 0.115,1215 0.19,1216 0.113,1217 0.089,1218 4.766,1219 0.12,1220 4.384,1221 0.024,1222 7.236,1223 0.32,1224 4.309,1225 0.083,1226 3.373,1227 4.577,1228 0.916,1229 12.152,1230 3.142,1231 1.92,1232 1.876,1233 2.002,1234 2.109,1235 1.36,1236 2.083,1237 1.875,1238 1.859,1239 1.987,1240 2.058,1241 1.218,1242 2.075,1243 1.708,1244 1.654,1245 1.879,1246 1.934,1247 1.029,1248 1.918,1249 1.623,1250 1.598,1251 1.725,1252 1.836,1253 0.96,1254 1.829,1255 1.568,1256 1.518,1257 1.673,1258 1.769,1259 0.912,1260 1.792,1261 1.438,1262 1.389,1263 1.615,1264 1.619,1265 0.825,1266 1.65,1267 1.284,1268 1.201,1269 1.556,1270 1.5,1271 0.81,1272 1.535,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.701,1278 1.429,1279 4.344,1281 5.707,1282 2.398,1283 7.255,1284 4.727,1285 8.886,1286 6.843,1287 10.562,1289 3.212,1293 5.655,1295 5.173,1297 5.526,1299 -0.08,1300 5.99,1305 38.792,1306 110.164,1307 234.917,1308 307.84,1309 329.059,1310 329.059,1311 329.059,1312 62.73,1313 8.342,1314 135.08,1315 143.46,1316 29,1317 12.921,1318 4.248,1319 3.459,1320 49.866,1321 153,1322 146,1323 0.162,1324 239.019,1325 402.76,1326 574.967,1327 48351,1329 23.872,1330 0.702,1331 0.593,1332 24.122,1333 20.148,1334 16.275,1335 0.428,1336 0.345,1337 11.174,1338 14.595,1339 10.749,1340 8.813,1341 17.169,1342 13.11,1343 15.939,1344 0.285,1345 0.192,1346 17.308,1347 10.735,1348 12.617,1349 0.173,1350 0.104,1351 13.388,1352 7.605,1353 11,1354 0.111,1355 0.058,1356 11.719,1357 5.721,1358 8.701,1359 0.069,1360 0.027,1361 9.035,1362 3.475,1363 0.253,1364 112.884,1365 0.199,1366 31.261,1367 0.447,1368 188,1369 576.54,1370 246.904,1371 567.622,1372 775.02,1373 528,1374 223,1375 552.853,1376 292.171,1377 587.415,1378 858.52,1379 548,1380 6.921}
{0 CHEMBL2087488,1 1.6,2 13.829,3 0.252,4 0.063,5 134.332,6 7.174,7 0.41,8 4.321,9 4.465,10 3.865,11 3.72,12 5.36,13 3.729,14 4.91,15 5.131,16 4.222,17 4.127,18 5.893,19 4.118,20 5.116,21 5.337,22 4.262,23 4.328,24 6.086,25 4.261,26 5.241,27 5.506,28 4.236,29 4.335,30 6.152,31 4.243,32 5.188,33 5.448,34 4.232,35 4.283,36 6.14,37 4.225,38 5.12,39 5.348,40 4.232,41 4.346,42 6.039,43 4.263,44 5.208,45 5.464,46 4.146,47 4.331,48 6.061,49 4.213,50 5.192,51 5.49,52 4.049,53 4.184,54 6.022,55 4.08,56 0.059,57 1.079,58 15.118,59 4.661,60 10.272,61 7.638,62 0.612,63 1.651,64 30.747,65 7.339,66 35.408,67 12.474,68 0.713,69 1.938,70 37.553,71 11.149,72 47.368,73 17.361,74 0.553,75 1.97,76 44.116,77 12.419,78 60.703,79 20.501,80 0.891,81 1.902,82 42.712,83 9.884,84 75.326,85 17.089,86 0.65,87 1.97,88 37.316,89 11.358,90 40.245,91 17.918,92 0.47,93 1.92,94 41.907,95 13.093,96 47.343,97 20.8,98 0.694,99 1.722,100 43.702,101 10.408,102 58.681,103 18.488,104 20,105 55,106 0.253,107 0.559,108 0.736,109 0.795,110 0.795,111 0.795,112 3.589,113 0.915,114 -1.73,115 -1.79,116 -1.81,119 34.3,124 2,125 10,143 1,145 2,146 2,147 1,150 1,151 2,158 1,161 1,163 1,164 1,165 1,174 4,175 3,177 2,178 2,186 9,187 1,198 3,199 1,204 1,209 1,211 4,212 1,223 8,226 1,227 1,236 3,237 2,239 1,240 1,249 1,252 1,253 1,262 9,265 1,266 1,275 2259,276 23.687,277 23.687,278 23.687,279 23.687,280 23.687,281 21.766,282 30.241,283 13.996,284 24.609,285 19.307,286 19.307,287 19.307,288 19.307,289 19.307,290 16.244,291 39.298,292 6.746,293 20.777,294 4.467,295 2.533,296 1.411,297 1.037,298 1.037,299 1.037,300 4.296,305 1,306 1055,307 3.606,310 81.066,311 438.364,314 151.096,318 2.072,319 31.783,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 77,331 484,332 4.638,333 3.738,334 6.753,335 4.156,336 3.224,337 4.577,338 1.989,339 11.114,340 3.008,341 4.154,342 3.335,343 6.107,344 3.8,345 2.849,346 3.777,347 0.916,348 8.938,349 2.707,350 3.982,351 3.007,352 6.048,353 3.738,354 2.773,355 3.243,356 0.86,357 8.674,358 2.671,359 3.856,360 2.84,361 5.864,362 3.573,363 2.642,364 3.127,365 0.835,366 8.27,367 2.458,368 3.663,369 2.705,370 5.456,371 3.336,372 2.415,373 3.036,374 0.8,375 7.197,376 2.22,377 3.513,378 2.499,379 5.048,380 3.193,381 2.278,382 2.67,383 0.543,384 6.111,385 2.08,386 3.21,387 2.392,388 4.928,389 3.007,390 2.095,391 2.32,392 0.172,393 5.648,394 1.913,395 3.037,396 2.296,397 4.708,398 2.82,399 1.888,400 2.119,402 5.164,403 1.754,404 3.012,405 2.176,406 4.672,407 2.629,408 1.717,409 2.065,411 4.799,412 1.56,413 2.848,414 1.94,415 4.376,416 2.359,417 1.408,418 1.972,420 4.088,421 1.334,422 2.5,423 1.548,424 3.842,425 2.187,426 1.235,427 1.5,428 3.012,429 1.169,430 2.466,431 1.432,432 3.754,433 2.106,434 1.2,435 1.387,436 2.943,437 1.069,438 2.387,439 1.256,440 3.414,441 1.967,442 1,443 1.37,445 2.275,446 0.965,447 2,448 1.146,449 3.414,450 1.952,451 1,452 1,454 2.275,455 0.946,456 2,457 1,458 3.399,459 1.917,460 1,461 1,463 2.136,464 0.916,465 16.167,466 0.462,467 0.886,468 0.025,469 42.75,470 1.221,471 16.5,472 0.471,473 26.25,474 0.75,475 32.793,476 0.937,477 39.633,478 0.592,479 35.229,480 1.007,481 8.578,482 0.245,483 8.38,484 0.239,485 0.107,487 0.34,493 0.913,494 1.944,495 0.804,496 1.421,497 0.703,498 1.129,499 1.256,500 1,501 0.93,502 0.765,503 0.646,504 0.774,505 0.997,506 1.037,507 1.092,508 1.099,509 0.983,510 1.116,511 0.828,512 1.171,513 0.863,514 1.088,515 1.092,516 0.999,517 1.333,518 0.873,519 1.014,520 0.717,521 1.649,522 0.794,523 0.768,524 1.027,525 1.115,526 1.159,527 0.528,528 1.184,529 0.689,530 1.221,531 0.971,532 1.292,533 0.692,534 1.201,535 0.928,536 0.941,537 0.872,538 0.842,539 0.592,540 0.835,541 7.5,542 0.152,543 3.556,544 2.132,545 1.68,546 1.532,547 0.837,548 0.511,549 0.378,550 0.319,551 18874,552 47770,553 2.123,554 47.8,556 26,557 2,558 2,559 2,564 1.768,565 2,566 3.712,567 0.276,573 107.167,574 1.6,575 3.533,576 4.655,577 5.029,578 5.029,579 5.029,580 3.212,581 4.615,582 5.093,583 3.908,584 2325.3,585 8.955,586 36598.7,591 406.428,592 1.366,593 5.067,594 0.192,595 0.004,596 0.065,597 0.039,598 0.032,599 0.028,600 0.016,601 0.011,602 0.009,603 0.008,604 0.404,605 0.33,606 0.63,607 0.944,608 190.008,609 -0.058,610 -0.585,611 0.089,612 -0.255,613 -0.027,614 -0.083,615 -0.104,616 0.161,617 0.057,618 0.204,619 0.067,620 0.168,621 -0.002,622 0.092,623 -0.138,624 -0.052,625 -0.046,626 -0.117,627 0.027,628 -0.194,629 0.104,630 -0.065,631 0.011,632 0.018,633 -0.173,634 0.132,635 -0.004,636 0.222,637 -0.205,638 0.15,639 0.034,640 0.127,641 -0.183,642 -0.107,643 -0.012,644 -0.173,645 0.061,646 -0.214,647 -0.03,648 -0.225,649 0.002,650 -0.158,651 -0.023,652 -0.038,653 0.128,654 0.091,655 0.081,656 0.137,657 1.484,658 5.36,659 0.771,660 44.075,661 1.006,662 1.149,663 0.498,664 0.248,665 0.632,666 3.689,667 4.025,668 4.29,669 4.585,670 4.86,671 5.004,672 5.22,673 5.421,674 5.561,675 5.724,676 7.983,677 0.604,678 480.65,679 3.689,680 5.242,681 6.094,682 6.978,683 7.851,684 8.744,685 9.628,686 10.526,687 11.419,688 12.321,689 14.9,692 2,693 1,695 1,696 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,722 1,726 1,731 67,733 17,735 39,737 71,738 23,739 10,746 5,747 6,761 11,762 12,766 1,771 1,775 1,781 32,782 11,783 2,784 12,787 1,790 10,794 0.8,795 2,802 1,806 1,811 1,812 4,815 1,827 1,836 2,839 1,840 4,844 2,848 35,849 1,854 10,856 1,859 4,870 3,873 1,874 1,877 17.5,878 12.55,879 7.556,880 3.917,881 2.935,882 1.349,883 0.988,884 7.226,885 11.338,886 3.892,887 4.463,888 5.026,889 5.64,890 6.206,891 6.633,892 7.141,893 7.623,894 7.965,895 8.361,896 1,897 55,898 12.96,900 5.477,901 7.648,902 25.087,904 20.637,905 2.148,906 75.167,910 353.133,911 98.359,912 113.823,914 36.145,917 98.359,918 389.278,919 113.823,920 16.793,921 29.155,922 50.992,923 133.249,924 37.453,925 27.769,926 306.049,928 353.133,929 212.182,930 36.145,933 353.133,934 25.145,935 11,937 63.913,938 81.127,939 67.142,941 353.133,942 149.968,943 98.359,946 353.133,947 45.376,948 66.766,950 136.184,951 353.133,952 149.968,953 98.359,955 0.584,956 0.328,957 0.179,958 0.102,959 27,960 12,961 0.085,962 6,963 1,964 1.074,965 4.583,966 338.553,967 0.074,968 27,969 165.525,974 24.038,975 10.521,976 5.605,977 0.821,978 148.681,979 7.401,980 18.155,984 3.588,986 32.897,987 601.46,988 48,993 12.36,997 0.183,999 67.392,1000 76.969,1001 0.264,1002 0.582,1003 0.767,1004 0.829,1005 0.829,1006 0.829,1007 5.153,1008 1.888,1009 6.08,1010 5.648,1011 4.71,1012 5.15,1013 2.575,1014 6.884,1015 4.572,1016 6.337,1017 1.717,1018 7.631,1019 5.164,1020 4.29,1021 4.977,1022 1.865,1023 7.743,1024 4.098,1025 7.635,1026 1.408,1027 9.278,1028 4.799,1029 6.297,1030 7.309,1031 3.218,1032 10.847,1033 6.031,1034 8.965,1035 1.235,1036 10.982,1037 4.088,1038 6.673,1039 7.993,1040 3.255,1041 12.545,1042 6.358,1043 10.331,1044 1.2,1045 12.724,1046 3.012,1047 8.157,1048 9.832,1049 4.326,1050 15.167,1051 7.771,1052 11.721,1053 1,1054 14.493,1055 2.943,1056 8.912,1057 10.935,1058 4.695,1059 17.237,1060 8.476,1061 13.132,1062 1,1063 16.281,1064 2.275,1065 10.18,1066 12.575,1067 5.598,1068 19.693,1069 9.674,1070 3.224,1071 1,1072 18.086,1073 2.275,1074 11.125,1075 13.89,1076 6.119,1077 21.936,1078 10.564,1079 2.849,1080 11.114,1081 19.903,1082 2.136,1083 12.303,1084 15.449,1085 6.926,1086 24.34,1087 11.674,1088 2.773,1089 8.938,1090 21.732,1091 4.577,1092 13.345,1093 16.868,1094 7.524,1095 26.664,1096 12.655,1097 2.642,1098 8.674,1099 23.569,1100 3.777,1101 14.492,1102 18.396,1103 8.277,1104 29.055,1105 13.732,1106 2.415,1107 8.27,1108 25.414,1109 3.243,1110 15.584,1111 19.865,1112 8.915,1113 31.418,1114 14.758,1115 2.278,1116 7.197,1117 27.266,1118 3.127,1119 16.723,1120 21.384,1121 9.639,1122 33.811,1123 15.827,1124 2.095,1125 6.111,1126 29.123,1127 3.036,1128 17.841,1129 22.878,1130 10.3,1131 36.194,1132 16.878,1133 17819,1134 28526,1135 26.353,1136 42.341,1137 59.026,1138 59.869,1139 60.036,1140 58.687,1141 58.659,1142 71.937,1143 12.229,1144 168.771,1145 54.644,1146 5.638,1147 5.738,1148 6.555,1149 5.26,1150 5.224,1151 7.577,1152 3.465,1153 18.359,1154 4.895,1155 16.844,1156 1.513,1157 1.535,1158 1.539,1159 1.505,1160 1.504,1161 1.845,1162 0.314,1163 4.327,1164 1.401,1165 4.143,1166 4.196,1167 4.118,1168 3.963,1169 7.427,1170 3.996,1171 3.865,1172 3.932,1173 3.787,1174 3.669,1175 5.243,1176 3.689,1177 3.81,1178 3.869,1179 3.757,1180 3.62,1181 5.068,1182 3.646,1183 3.738,1184 3.797,1185 3.623,1186 3.514,1187 4.631,1188 3.532,1189 3.621,1190 3.705,1191 3.491,1192 3.385,1193 4.612,1194 3.399,1195 3.369,1196 3.438,1197 3.28,1198 3.165,1199 4.394,1200 3.184,1201 3.203,1202 3.269,1203 3.096,1204 2.949,1205 4.31,1206 2.972,1207 3.111,1208 3.206,1209 2.927,1210 2.941,1211 4.239,1212 2.91,1213 0.119,1214 0.096,1215 0.173,1216 0.107,1217 0.083,1218 4.638,1219 0.117,1220 3.738,1221 0.051,1222 6.753,1223 0.285,1224 4.156,1225 0.077,1226 3.224,1227 4.577,1228 1.989,1229 11.114,1230 3.008,1231 1.92,1232 1.875,1233 1.996,1234 2.109,1235 1.306,1236 2.076,1237 1.802,1238 1.735,1239 1.986,1240 2.033,1241 1.218,1242 2.025,1243 1.708,1244 1.653,1245 1.879,1246 1.934,1247 1.025,1248 1.918,1249 1.606,1250 1.544,1251 1.84,1252 1.855,1253 0.988,1254 1.854,1255 1.572,1256 1.502,1257 1.711,1258 1.828,1259 0.855,1260 1.801,1261 1.447,1262 1.383,1263 1.619,1264 1.654,1265 0.825,1266 1.649,1267 1.153,1268 1.067,1269 1.513,1270 1.409,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.702,1278 1.429,1279 4.369,1281 5.7,1282 2.398,1283 7.217,1284 4.727,1285 8.819,1286 6.843,1287 10.469,1289 3.84,1293 5.672,1295 7.145,1297 5.546,1300 8.419,1305 40.438,1306 107.167,1307 236.707,1308 311.899,1309 336.918,1310 336.918,1311 336.918,1312 54.656,1313 8.403,1314 121.25,1315 121.25,1316 29,1317 12.844,1318 4.17,1319 3.322,1320 52.199,1321 169,1322 183,1323 0.152,1324 246.944,1325 418.42,1326 594.302,1327 53676,1329 24.363,1330 0.696,1331 0.58,1332 24.363,1333 20.299,1334 16.958,1335 0.435,1336 0.305,1337 11.622,1338 15.944,1339 11.345,1340 9.338,1341 16.958,1342 11.901,1343 15.698,1344 0.285,1345 0.168,1346 15.698,1347 9.237,1348 12.766,1349 0.177,1350 0.088,1351 12.766,1352 6.31,1353 10.921,1354 0.113,1355 0.046,1356 10.921,1357 4.461,1358 9.01,1359 0.07,1360 0.025,1361 9.01,1362 3.161,1363 0.241,1364 108.455,1365 0.195,1366 32.328,1367 0.412,1368 188,1369 553.589,1370 212.687,1371 526.775,1372 722.66,1373 496,1374 221,1375 533.357,1376 248.742,1377 538.442,1378 790.21,1379 502,1380 6.319}
{0 CHEMBL2087490,1 1.749,2 13.029,3 0.696,4 0.485,5 129.871,6 7.741,7 0.421,8 4.272,9 4.398,10 3.996,11 3.722,12 5.285,13 3.711,14 4.873,15 5.068,16 4.312,17 4.132,18 6.017,19 4.105,20 5.103,21 5.317,22 4.331,23 4.315,24 6.124,25 4.241,26 5.182,27 5.411,28 4.245,29 4.309,30 6.205,31 4.225,32 5.15,33 5.407,34 4.21,35 4.266,36 6.105,37 4.187,38 5.084,39 5.328,40 4.202,41 4.276,42 5.997,43 4.184,44 5.062,45 5.299,46 4.165,47 4.225,48 5.998,49 4.131,50 5.046,51 5.304,52 4.116,53 4.136,54 6.007,55 4.045,56 0.144,57 1.052,58 16.244,59 5.093,60 18.465,61 7.111,62 0.743,63 1.631,64 31.182,65 8.578,66 66.475,67 12.105,68 0.826,69 1.915,70 43.771,71 12.251,72 64.89,73 16.578,74 0.843,75 1.925,76 44.965,77 12.308,78 97.087,79 17.963,80 0.905,81 1.859,82 40.885,83 11.006,84 77.139,85 17.362,86 0.716,87 1.858,88 38.084,89 11.46,90 45.104,91 17.215,92 0.59,93 1.752,94 36.423,95 11.28,96 53.039,97 16.927,98 0.681,99 1.65,100 38.325,101 10.07,102 62.16,103 15.917,104 19,105 55,106 0.279,107 0.585,108 0.752,109 0.805,110 0.805,111 0.805,112 3.561,113 1.029,114 -1.62,115 -1.69,116 -1.73,119 33.3,120 1,125 10,143 1,145 2,146 2,147 1,150 1,151 2,161 1,163 1,164 1,165 1,174 6,175 3,177 2,178 2,186 7,187 4,198 3,199 1,204 1,209 1,211 5,212 1,223 7,224 1,226 1,227 1,236 3,237 2,239 1,240 1,249 2,252 1,253 1,262 9,263 1,265 1,266 1,275 2046,276 23.013,277 23.013,278 23.013,279 23.013,280 23.013,281 20.907,282 28.343,283 13.292,284 24.08,285 18.697,286 18.697,287 18.697,288 18.697,289 18.697,290 15.264,291 38.164,292 6.284,293 20.229,294 4.229,295 2.31,296 1.266,297 0.933,298 0.933,299 0.933,300 4.267,305 1,306 968,307 3.606,310 77.316,311 419.136,314 144,318 1.915,319 40.867,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 75.5,331 443,332 4.788,333 4.505,334 7.286,335 4.298,336 3.368,337 4.577,338 0.916,339 12.335,340 3.111,341 4.638,342 3.335,343 6.753,344 4.156,345 3.223,346 4.553,347 0.86,348 11.114,349 3.007,350 4.153,351 3.016,352 6.107,353 3.743,354 2.78,355 3.777,356 0.8,357 8.938,358 2.678,359 3.863,360 2.841,361 5.866,362 3.593,363 2.665,364 3.242,365 0.4,366 8.287,367 2.472,368 3.664,369 2.715,370 5.483,371 3.367,372 2.454,373 3.037,374 0.172,375 7.285,376 2.237,377 3.547,378 2.428,379 5.052,380 3.195,381 2.281,382 2.685,384 6.119,385 2.08,386 3.216,387 2.324,388 4.988,389 2.903,390 1.963,391 2.354,393 5.736,394 1.839,395 3.013,396 2.23,397 4.745,398 2.653,399 1.749,400 2.117,402 4.841,403 1.578,404 2.871,405 1.96,406 4.67,407 2.497,408 1.582,409 2.008,411 4.717,412 1.441,413 2.697,414 1.548,415 4.375,416 2.336,417 1.392,418 1.694,420 4.074,421 1.308,422 2.5,423 1.432,424 3.755,425 2.106,426 1.234,427 1.5,428 2.943,429 1.069,430 2.388,431 1.256,432 3.414,433 1.967,434 1,435 1.376,436 2.275,437 0.965,438 2,439 1.146,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.399,450 1.917,451 1,452 1,454 2.136,455 0.916,456 1.94,457 0.822,458 3.247,459 1.471,460 0.557,461 0.754,463 1.615,464 0.508,465 15.933,466 0.469,467 0.919,468 0.027,469 43,470 1.265,471 18,472 0.529,473 25,474 0.735,475 31.757,476 0.934,477 38.667,478 0.614,479 34.543,480 1.016,481 8.056,482 0.237,483 8.369,484 0.246,485 0.098,486 0.052,487 0.289,493 0.754,494 1.868,495 0.806,496 1.454,497 0.71,498 1.095,499 1.024,500 1.079,501 0.958,502 0.911,503 0.581,504 0.852,505 1.101,506 1.019,507 1.271,508 1.146,509 0.973,510 1.017,511 1.191,512 1.15,513 1.101,514 1.101,515 1.528,516 1.09,517 0.935,518 0.912,519 0.784,520 0.731,521 0.98,522 0.868,523 0.647,524 0.96,525 0.918,526 0.983,527 0.393,528 1.049,529 0.803,530 1.142,531 0.848,532 1.07,533 0.744,534 1.129,535 0.837,536 1.123,537 0.865,538 0.984,539 0.532,540 1.002,541 8,542 0.198,543 4.222,544 2.132,545 1.56,546 1.539,547 0.837,548 0.487,549 0.414,550 0.343,551 17081,552 48766,553 2.12,554 46,556 20,557 2,558 2,559 2,561 3,564 1.762,565 1.99,566 3.625,567 0.323,573 110.164,574 1.749,575 3.667,576 4.711,577 5.045,578 5.045,579 5.045,580 3.114,581 4.676,582 5.054,583 3.819,584 2142.43,585 8.878,586 32627.8,591 376.569,592 1.501,593 5.017,594 0.211,595 0.006,596 0.077,597 0.038,598 0.031,599 0.03,600 0.017,601 0.011,602 0.01,603 0.009,604 0.438,605 0.33,606 0.63,607 0.812,608 181.995,609 0.012,610 -0.511,611 0.206,612 -0.219,613 -0.114,614 -0.052,615 0.046,616 0.085,617 0.039,618 0.11,619 0.221,620 0.097,621 -0.104,622 0.087,623 -0.161,624 -0.028,625 -0.031,626 -0.021,627 -0.169,628 -0.145,629 -0.148,630 -0.111,631 -0.196,632 -0.103,633 -0.038,634 0.058,635 0.034,636 0.125,637 -0.093,638 0.095,639 0.062,640 0.101,641 -0.061,642 -0.036,643 0.029,644 -0.054,645 -0.008,646 -0.128,647 -0.019,648 -0.128,649 -0.051,650 -0.123,651 0.003,652 -0.145,653 0.036,654 -0.062,655 0.081,656 -0.021,657 4.062,658 5.147,659 0.794,660 39.55,661 1.013,662 1.146,663 0.395,664 0.156,665 0.646,666 3.664,667 4.025,668 4.304,669 4.564,670 4.844,671 5.004,672 5.22,673 5.403,674 5.545,675 5.724,676 7.576,677 0.616,678 487.66,679 3.664,680 5.231,681 6.094,682 6.987,683 7.869,684 8.769,685 9.659,686 10.563,687 11.459,688 12.366,689 14.3,692 2,693 1,695 1,697 1,699 4,703 1,704 4,705 4,709 5,711 16,722 1,726 1,731 63,733 18,735 38,737 67,738 21,739 10,746 5,747 6,752 1,761 10,762 11,766 2,769 1,771 2,781 29,782 11,783 2,784 13,785 1,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 1,848 34,849 1,852 1,854 10,856 1,859 3,870 4.8,873 2,874 1,877 17.083,878 11.433,879 7.319,880 3.872,881 2.997,882 1.359,883 1.004,884 6.688,885 11.338,886 3.892,887 4.519,888 5.052,889 5.633,890 6.206,891 6.638,892 7.144,893 7.625,894 7.969,895 8.37,896 0.889,897 56,898 12.771,900 5.666,901 7.777,902 24.321,904 20.545,905 2.277,906 77.417,910 317.82,911 90.288,912 109.093,914 55.313,916 5.807,917 84.481,918 373.133,919 109.093,920 8.825,921 24.824,922 56.799,923 147.712,924 35.848,925 27.769,926 270.735,928 317.82,929 193.574,930 55.313,931 5.807,933 282.506,934 79.626,935 11,937 66.802,938 59.63,939 72.95,941 317.82,942 164.406,943 90.288,945 5.807,946 317.82,947 39.466,948 54.069,950 155.352,951 317.82,952 164.406,953 90.288,955 0.591,956 0.344,957 0.175,958 0.098,959 28,960 12,961 0.09,962 6,963 1,964 1.074,965 4.447,966 330.405,967 0.074,968 27,969 158.974,973 1,974 23.394,975 9.72,976 5.046,977 0.782,978 163.119,979 7.275,980 18.027,984 3.428,986 32.897,987 572.514,988 48,991 -3.145,993 24.295,999 63.811,1000 72.185,1001 0.293,1002 0.613,1003 0.788,1004 0.844,1005 0.844,1006 0.844,1007 5.165,1008 1.749,1009 6.111,1010 5.736,1011 4.71,1012 5.207,1013 1.661,1014 6.967,1015 4.561,1016 6.389,1017 1.582,1018 7.704,1019 4.841,1020 4.443,1021 5.293,1022 0.57,1023 8.116,1024 4.226,1025 7.737,1026 1.392,1027 9.405,1028 4.717,1029 6.389,1030 7.511,1031 1.271,1032 11.157,1033 6.099,1034 9.126,1035 1.234,1036 11.173,1037 4.074,1038 6.938,1039 8.43,1040 0.581,1041 13.139,1042 6.579,1043 10.553,1044 1,1045 12.987,1046 2.943,1047 8.387,1048 10.188,1049 1.026,1050 15.768,1051 7.957,1052 12.007,1053 1,1054 14.834,1055 2.275,1056 9.292,1057 11.447,1058 0.515,1059 18.062,1060 8.789,1061 13.48,1062 1,1063 16.704,1064 2.275,1065 10.563,1066 13.049,1067 0.841,1068 20.58,1069 9.988,1070 3.368,1071 0.557,1072 18.594,1073 2.136,1074 11.626,1075 14.451,1076 0.441,1077 22.992,1078 10.976,1079 3.223,1080 12.335,1081 20.498,1082 1.615,1083 12.835,1084 15.997,1085 0.689,1086 25.482,1087 12.11,1088 2.78,1089 11.114,1090 22.415,1091 4.577,1092 13.968,1093 17.461,1094 0.373,1095 27.941,1096 13.166,1097 2.665,1098 8.938,1099 24.341,1100 4.553,1101 15.159,1102 18.986,1103 0.564,1104 30.428,1105 14.281,1106 2.454,1107 8.287,1108 26.276,1109 3.777,1110 16.324,1111 20.478,1112 0.314,1113 32.907,1114 15.368,1115 2.281,1116 7.285,1117 28.217,1118 3.242,1119 17.513,1120 21.996,1121 0.461,1122 35.396,1123 16.479,1124 1.963,1125 6.119,1126 30.163,1127 3.037,1128 18.694,1129 23.501,1130 0.264,1131 37.885,1132 17.581,1133 16094,1134 27345,1135 25.542,1136 40.676,1137 57.214,1138 58.904,1139 58.883,1140 57.432,1141 57.364,1142 72.28,1143 6.298,1144 170.658,1145 53.138,1146 5.788,1147 6.505,1148 7.087,1149 5.402,1150 5.368,1151 7.577,1152 1.776,1153 19.58,1154 4.999,1155 16.32,1156 1.506,1157 1.55,1158 1.55,1159 1.511,1160 1.51,1161 1.902,1162 0.166,1163 4.491,1164 1.398,1165 4.147,1166 4.198,1167 4.728,1168 4,1169 7.714,1170 3.999,1171 4.023,1172 4.017,1173 4.115,1174 3.942,1175 6.999,1176 3.853,1177 3.817,1178 3.873,1179 3.78,1180 3.65,1181 5.243,1182 3.673,1183 3.744,1184 3.8,1185 3.642,1186 3.531,1187 5.068,1188 3.542,1189 3.66,1190 3.708,1191 3.584,1192 3.471,1193 4.631,1194 3.466,1195 3.332,1196 3.402,1197 3.254,1198 3.149,1199 4.612,1200 3.164,1201 3.152,1202 3.225,1203 2.976,1204 2.941,1205 4.387,1206 2.91,1207 3.111,1208 3.206,1209 2.93,1210 2.941,1211 4.258,1212 2.91,1213 0.126,1214 0.119,1215 0.192,1216 0.113,1217 0.089,1218 4.788,1219 0.12,1220 4.505,1221 0.024,1222 7.286,1223 0.325,1224 4.298,1225 0.082,1226 3.368,1227 4.577,1228 0.916,1229 12.335,1230 3.111,1231 1.92,1232 1.876,1233 1.992,1234 2.109,1235 1.351,1236 2.08,1237 1.869,1238 1.864,1239 1.975,1240 2.049,1241 1.218,1242 2.074,1243 1.708,1244 1.654,1245 1.879,1246 1.934,1247 1.119,1248 1.919,1249 1.655,1250 1.614,1251 1.797,1252 1.841,1253 1.02,1254 1.863,1255 1.578,1256 1.519,1257 1.709,1258 1.809,1259 0.852,1260 1.799,1261 1.426,1262 1.367,1263 1.608,1264 1.617,1265 0.825,1266 1.626,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.702,1278 1.429,1279 4.344,1281 5.694,1282 2.398,1283 7.238,1284 4.727,1285 8.863,1286 6.843,1287 10.531,1289 1.684,1293 5.654,1295 5.898,1297 5.524,1300 6,1305 38.792,1306 110.164,1307 231.017,1308 296.794,1309 317.814,1310 317.814,1311 317.814,1312 61.465,1313 8.341,1314 135.08,1315 143.46,1316 29,1317 12.886,1318 4.248,1319 3.459,1320 49.921,1321 156,1322 164,1323 0.158,1324 239.019,1325 402.76,1326 574.967,1327 48840,1329 23.709,1330 0.697,1331 0.588,1332 23.959,1333 19.985,1334 16.425,1335 0.432,1336 0.343,1337 11.311,1338 14.648,1339 10.978,1340 8.962,1341 17.246,1342 13.03,1343 15.37,1344 0.279,1345 0.194,1346 16.745,1347 10.676,1348 13.09,1349 0.179,1350 0.111,1351 14.242,1352 8.105,1353 10.46,1354 0.11,1355 0.057,1356 11.078,1357 5.368,1358 8.779,1359 0.07,1360 0.03,1361 9.225,1362 3.744,1363 0.249,1364 113.089,1365 0.198,1366 31.395,1367 0.433,1368 186,1369 574.54,1370 247.912,1371 564.289,1372 772.16,1373 526,1374 221,1375 548.844,1376 290.669,1377 582.091,1378 855.65,1379 546,1380 7.007}
{0 CHEMBL2087491,1 1.875,2 12.206,3 0.916,4 0.838,5 132.528,6 9.209,7 0.421,8 4.234,9 4.353,10 4.09,11 3.712,12 5.263,13 3.698,14 4.833,15 5.019,16 4.453,17 4.118,18 6.02,19 4.097,20 5.055,21 5.257,22 4.597,23 4.331,24 6.098,25 4.253,26 5.127,27 5.346,28 4.493,29 4.337,30 6.129,31 4.231,32 5.122,33 5.376,34 4.603,35 4.284,36 6.103,37 4.199,38 4.991,39 5.197,40 4.668,41 4.341,42 5.975,43 4.236,44 4.993,45 5.166,46 4.651,47 4.326,48 6.036,49 4.207,50 5.037,51 5.283,52 4.554,53 4.199,54 6.02,55 4.081,56 0.175,57 1.016,58 11.825,59 5.093,60 19.919,61 6.291,62 0.799,63 1.581,64 29.467,65 8.493,66 67.101,67 10.843,68 0.919,69 1.859,70 40.559,71 12.111,72 69.4,73 14.945,74 0.813,75 1.889,76 54.803,77 13.821,78 82.796,79 17.851,80 1.039,81 1.803,82 48.009,83 11.859,84 83.528,85 16.712,86 0.765,87 1.774,88 51.468,89 12.604,90 40.952,91 15.401,92 0.673,93 1.723,94 70.934,95 13.54,96 52.871,97 16.173,98 0.832,99 1.645,100 65.439,101 12.55,102 64.381,103 16.105,104 27,105 56,106 0.302,107 0.606,108 0.748,109 0.799,110 0.799,111 0.799,112 3.561,113 1.073,114 -2,115 -2.05,116 -2.05,118 1,119 33.3,124 1,125 9,143 1,145 2,146 2,147 1,150 1,151 1,153 1,161 1,163 1,164 1,165 1,174 6,175 4,177 2,178 2,186 7,187 2,198 3,199 2,204 1,209 1,211 5,212 3,220 1,223 7,226 1,227 1,236 3,237 5,239 1,240 1,249 2,250 1,252 1,253 1,262 9,263 2,265 1,266 1,268 1,273 1,275 2048,276 22.643,277 22.643,278 22.643,279 22.643,280 22.643,281 20.425,282 28.051,283 13.05,284 23.629,285 18.772,286 18.772,287 18.772,288 18.772,289 18.772,290 15.277,291 37.236,292 6.25,293 20.484,294 4.032,295 2.142,296 1.263,297 0.946,298 0.946,299 0.946,300 4.265,306 906,307 3.536,310 76.106,311 412.594,314 141.625,318 1.924,319 41.621,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 75.25,331 415,332 4.744,333 4.375,334 7.111,335 4.249,336 3.317,337 4.689,338 0.916,339 11.658,340 3.077,341 4.724,342 3.487,343 6.907,344 4.219,345 3.302,346 4.51,347 0.86,348 11.607,349 3.025,350 4.188,351 3.127,352 6.255,353 3.78,354 2.836,355 3.805,356 0.8,357 9.304,358 2.689,359 3.973,360 2.873,361 6.103,362 3.657,363 2.728,364 3.401,365 0.4,366 8.904,367 2.499,368 3.665,369 2.81,370 5.55,371 3.385,372 2.474,373 3.06,374 0.172,375 7.358,376 2.244,377 3.55,378 2.457,379 5.228,380 3.201,381 2.289,382 2.685,384 6.239,385 2.082,386 3.253,387 2.324,388 5.045,389 2.942,390 2.021,391 2.37,393 6.032,394 1.849,395 3.081,396 2.278,397 4.871,398 2.688,399 1.782,400 2.22,402 5.201,403 1.595,404 2.871,405 2.012,406 4.567,407 2.466,408 1.55,409 2.007,411 4.604,412 1.416,413 2.703,414 1.859,415 4.387,416 2.35,417 1.443,418 1.694,420 4.107,421 1.308,422 2.512,423 1.432,424 4.042,425 2.182,426 1.311,427 1.512,428 3.227,429 1.105,430 2.5,431 1.29,432 3.504,433 1.967,434 1,435 1.5,436 2.308,437 0.965,438 2.109,439 1.256,440 3.414,441 1.952,442 1,443 1.039,445 2.275,446 0.946,447 2,448 1.146,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1,458 3.247,459 1.694,460 0.857,461 1,463 2.136,464 0.653,465 16.767,466 0.493,467 1.052,468 0.031,469 43,470 1.265,471 18,472 0.529,473 25,474 0.735,475 35.189,476 1.035,477 37.833,478 0.631,479 32.69,480 0.961,481 7.941,482 0.234,483 8.351,484 0.246,485 0.173,486 0.05,487 0.304,493 0.756,494 1.842,495 0.546,496 1.228,497 0.714,498 1.006,499 1.003,500 1.071,501 0.633,502 0.823,503 0.545,504 0.782,505 1.123,506 0.937,507 0.863,508 0.899,509 1.033,510 0.943,511 0.942,512 1.215,513 1.109,514 1.177,515 1.118,516 1.145,517 0.9,518 0.843,519 0.772,520 0.626,521 0.96,522 0.724,523 0.801,524 0.887,525 1.738,526 1.064,527 0.445,528 1.03,529 0.932,530 1.332,531 2.587,532 1.701,533 0.841,534 1.486,535 0.83,536 1.084,537 1.176,538 1.017,539 0.555,540 1.01,541 8,542 0.178,543 4.444,544 2.451,545 1.805,546 1.907,547 0.981,548 0.563,549 0.554,550 0.343,551 16427,552 51960,553 2.102,554 43.3,556 21,557 1,558 2,559 2,564 1.764,565 1.952,566 3.534,567 0.352,573 112.479,574 1.875,575 3.765,576 4.644,577 4.961,578 4.961,579 4.961,580 3.044,581 4.477,582 5.052,583 3.75,584 2103.62,585 8.889,586 31465.5,591 354.413,592 1.583,593 5.007,594 0.211,595 0.006,596 0.079,597 0.043,598 0.035,599 0.035,600 0.018,601 0.011,602 0.012,603 0.008,604 0.458,605 0.33,606 0.63,607 0.706,608 180.696,609 -0.013,610 -0.517,611 0.054,612 -0.187,613 -0.125,614 -0.052,615 0.035,616 0.081,617 0.019,618 0.088,619 0.253,620 0.117,621 -0.139,622 0.15,623 -0.015,624 0.078,625 -0.094,626 0.01,627 -0.084,628 -0.209,629 -0.078,630 -0.164,631 -0.124,632 -0.135,633 0.006,634 0.093,635 0.125,636 0.236,637 -0.073,638 0.243,639 -0.034,640 0.211,641 -0.099,642 0.049,643 -0.004,644 -0.017,645 -0.08,646 -0.27,647 -0.298,648 -0.415,649 -0.121,650 -0.41,651 0.022,652 -0.128,653 0.046,654 -0.023,655 0.058,656 -0.005,657 4.084,658 4.826,659 0.794,660 38.837,661 1.019,662 1.144,663 0.773,664 0.597,665 0.671,666 3.664,667 4.043,668 4.317,669 4.595,670 4.898,671 5.069,672 5.278,673 5.476,674 5.638,675 5.768,676 7.261,677 0.638,678 552.52,679 3.664,680 5.242,681 6.107,682 7.009,683 7.897,684 8.805,685 9.703,686 10.617,687 11.521,688 12.438,689 15,692 2,693 1,695 1,697 1,699 4,703 1,704 3,705 4,709 6,711 16,722 1,726 1,730 1,731 60,733 18,735 38,736 1,737 64,738 20,739 10,746 5,747 6,761 10,762 10,766 2,769 1,771 2,781 26,782 11,783 2,784 14,785 2,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,843 1,844 1,848 34,849 1,852 1,854 9,856 1,859 3,869 1,870 5,873 2,874 1,877 17.417,878 10.993,879 7.167,880 3.454,881 3.002,882 1.361,883 1.011,884 6.766,885 11.323,886 3.892,887 4.541,888 5.073,889 5.679,890 6.271,891 6.712,892 7.218,893 7.702,894 8.065,895 8.435,896 1,897 57,898 12.744,900 5.661,901 7.804,902 24.175,904 20.421,905 2.304,906 78.333,910 282.506,911 81.332,912 155.047,914 55.313,916 5.807,917 121.479,918 337.819,919 109.093,920 7.19,921 23.925,922 47.752,923 147.712,924 38.474,925 15.998,926 293.147,928 282.506,929 184.618,930 55.313,931 5.807,932 45.954,933 282.506,934 44.313,935 11,937 59.703,938 57.773,939 72.95,940 45.954,941 282.506,942 164.406,943 127.287,945 5.807,946 282.506,947 41.192,948 43.386,949 45.954,950 155.352,951 282.506,952 164.406,953 127.287,955 0.598,956 0.34,957 0.175,958 0.102,959 29,960 13,961 0.078,962 5,963 1,964 1.074,965 4.376,966 336.088,967 0.074,968 27,969 158.974,973 1,974 23.852,975 9.645,976 5.083,977 0.749,978 163.119,979 5.232,980 18.084,984 4.147,986 32.897,987 574.199,988 48,991 -3.167,993 23.652,999 61.156,1000 68.611,1001 0.317,1002 0.637,1003 0.786,1004 0.84,1005 0.84,1006 0.84,1007 5.176,1008 1.782,1009 6.138,1010 6.032,1011 4.727,1012 5.228,1013 1.661,1014 7.006,1015 4.558,1016 6.413,1017 1.55,1018 7.739,1019 5.201,1020 4.511,1021 5.359,1022 0.57,1023 8.141,1024 4.25,1025 7.769,1026 1.443,1027 9.448,1028 4.604,1029 6.418,1030 7.55,1031 1.271,1032 11.195,1033 6.099,1034 9.164,1035 1.311,1036 11.221,1037 4.107,1038 6.995,1039 8.495,1040 0.581,1041 13.131,1042 6.584,1043 10.596,1044 1,1045 13.036,1046 3.227,1047 8.429,1048 10.246,1049 1.026,1050 15.763,1051 7.956,1052 12.053,1053 1,1054 14.879,1055 2.308,1056 9.346,1057 11.523,1058 0.515,1059 18.006,1060 8.785,1061 13.53,1062 1,1063 16.743,1064 2.275,1065 10.61,1066 13.126,1067 0.841,1068 20.509,1069 9.98,1070 3.317,1071 0.857,1072 18.622,1073 2.275,1074 11.677,1075 14.542,1076 0.441,1077 22.873,1078 10.962,1079 3.302,1080 11.658,1081 20.514,1082 2.136,1083 12.882,1084 16.093,1085 0.689,1086 25.335,1087 12.092,1088 2.836,1089 11.607,1090 22.415,1091 4.689,1092 14.015,1093 17.57,1094 0.373,1095 27.748,1096 13.142,1097 2.728,1098 9.304,1099 24.325,1100 4.51,1101 15.202,1102 19.103,1103 0.564,1104 30.199,1105 14.251,1106 2.474,1107 8.904,1108 26.24,1109 3.805,1110 16.365,1111 20.608,1112 0.314,1113 32.633,1114 15.332,1115 2.289,1116 7.358,1117 28.161,1118 3.401,1119 17.55,1120 22.136,1121 0.461,1122 35.082,1123 16.437,1124 2.021,1125 6.239,1126 30.087,1127 3.06,1128 18.726,1129 23.654,1130 0.264,1131 37.526,1132 17.532,1133 15500,1134 27726,1135 25.255,1136 40.267,1137 58.156,1138 60.197,1139 59.282,1140 58.396,1141 58.26,1142 73.484,1143 6.298,1144 175.669,1145 53.095,1146 5.744,1147 6.375,1148 6.913,1149 5.353,1150 5.317,1151 7.689,1152 1.776,1153 19.206,1154 4.965,1155 17.844,1156 1.53,1157 1.584,1158 1.56,1159 1.537,1160 1.533,1161 1.934,1162 0.166,1163 4.623,1164 1.397,1165 4.148,1166 4.196,1167 6.881,1168 3.998,1169 7.716,1170 4.01,1171 4.009,1172 4.005,1173 4.722,1174 3.941,1175 6.999,1176 3.829,1177 3.817,1178 3.872,1179 4.066,1180 3.659,1181 5.243,1182 3.678,1183 3.743,1184 3.798,1185 3.768,1186 3.532,1187 5.06,1188 3.542,1189 3.645,1190 3.679,1191 3.634,1192 3.465,1193 4.63,1194 3.447,1195 3.322,1196 3.381,1197 3.575,1198 3.162,1199 4.612,1200 3.166,1201 3.111,1202 3.206,1203 3.222,1204 2.941,1205 4.388,1206 2.91,1207 3.111,1208 3.206,1209 2.931,1210 2.941,1211 4.26,1212 2.91,1213 0.125,1214 0.115,1215 0.187,1216 0.112,1217 0.087,1218 4.744,1219 0.123,1220 4.375,1221 0.024,1222 7.111,1223 0.307,1224 4.249,1225 0.081,1226 3.317,1227 4.689,1228 0.916,1229 11.658,1230 3.077,1231 1.919,1232 1.876,1233 1.982,1234 2.104,1235 1.333,1236 2.073,1237 1.854,1238 1.843,1239 1.972,1240 2.043,1241 1.218,1242 2.068,1243 1.708,1244 1.654,1245 1.876,1246 1.934,1247 1.032,1248 1.918,1249 1.619,1250 1.595,1251 1.676,1252 1.824,1253 0.959,1254 1.82,1255 1.566,1256 1.515,1257 1.622,1258 1.766,1259 0.825,1260 1.787,1261 1.39,1262 1.349,1263 1.545,1264 1.558,1265 0.825,1266 1.577,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.808,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.699,1278 1.429,1279 4.344,1281 5.707,1282 2.398,1283 7.259,1284 4.844,1285 8.891,1286 7.034,1287 10.567,1288 3.744,1289 1.255,1293 5.662,1295 5.548,1297 5.53,1300 5.906,1305 38.29,1306 112.479,1307 225.91,1308 278.639,1309 297.659,1310 297.659,1311 297.659,1312 62.101,1313 8.321,1314 135.08,1315 143.46,1316 29,1317 12.952,1318 4.248,1319 3.459,1320 49.809,1321 148,1322 148,1323 0.166,1324 241.341,1325 404.74,1326 580.631,1327 46541,1328 1.7,1329 23.872,1330 0.702,1331 0.622,1332 25.122,1333 21.165,1334 16.292,1335 0.429,1336 0.358,1337 10.91,1338 14.113,1339 10.497,1340 8.548,1341 17.764,1342 13.591,1343 15.815,1344 0.282,1345 0.198,1346 17.869,1347 11.094,1348 12.934,1349 0.175,1350 0.111,1351 14.59,1352 8.191,1353 10.58,1354 0.108,1355 0.056,1356 11.752,1357 5.49,1358 9.054,1359 0.068,1360 0.03,1361 10.167,1362 3.943,1363 0.259,1364 121.357,1365 0.199,1366 31.187,1367 0.463,1368 188,1369 597.195,1370 314.658,1371 622.81,1372 837.55,1373 578,1374 224,1375 569.586,1376 332.012,1377 615.896,1378 904.7,1379 575,1380 8.092}
{0 CHEMBL2087492,1 1.749,2 12.206,3 0.493,4 0.243,5 129.964,6 7.741,7 0.421,8 4.272,9 4.398,10 3.996,11 3.722,12 5.287,13 3.711,14 4.873,15 5.07,16 4.303,17 4.124,18 6.033,19 4.105,20 5.089,21 5.298,22 4.333,23 4.321,24 6.109,25 4.258,26 5.189,27 5.416,28 4.264,29 4.354,30 6.168,31 4.259,32 5.213,33 5.484,34 4.255,35 4.3,36 6.142,37 4.222,38 5.078,39 5.301,40 4.277,41 4.332,42 6.021,43 4.258,44 5.15,45 5.364,46 4.255,47 4.365,48 6.097,49 4.259,50 5.272,51 5.566,52 4.197,53 4.276,54 6.146,55 4.152,56 0.144,57 1.052,58 16.244,59 5.093,60 18.679,61 7.111,62 0.746,63 1.626,64 31.647,65 8.475,66 67.672,67 12.081,68 0.851,69 1.93,70 40.02,71 11.392,72 64.175,73 15.816,74 0.696,75 2.01,76 43.994,77 12.922,78 77.699,79 19.01,80 0.98,81 1.936,82 44.761,83 11.594,84 81.326,85 18.606,86 0.725,87 1.954,88 36.338,89 11.12,90 39.624,91 16.501,92 0.508,93 1.988,94 37.589,95 13.227,96 50.328,97 19.352,98 0.899,99 1.907,100 50.192,101 12.661,102 78.057,103 20.542,104 27,105 56,106 0.279,107 0.583,108 0.75,109 0.798,110 0.798,111 0.798,112 3.561,113 1.035,114 -1.62,115 -1.69,116 -1.73,119 33.3,120 1,124 1,125 9,143 1,145 2,146 2,147 1,150 1,151 1,152 1,161 1,163 1,164 1,165 1,174 6,175 4,177 2,178 2,186 7,187 2,198 3,199 2,204 1,209 1,211 5,212 3,220 1,223 7,226 1,227 1,236 3,237 5,239 1,240 1,249 2,250 1,252 1,253 1,262 9,263 2,265 1,266 1,268 1,273 1,275 2048,276 22.643,277 22.643,278 22.643,279 22.643,280 22.643,281 20.425,282 28.618,283 13.05,284 23.519,285 18.772,286 18.772,287 18.772,288 18.772,289 18.772,290 15.277,291 38.211,292 6.25,293 20.218,294 4.229,295 2.322,296 1.278,297 0.976,298 0.976,299 0.976,300 4.265,305 1,306 906,307 3.536,310 76.106,311 412.594,314 141.625,318 1.924,319 40.23,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 75.5,331 415,332 4.744,333 4.375,334 7.111,335 4.252,336 3.317,337 4.689,338 0.916,339 11.658,340 3.093,341 4.724,342 3.423,343 6.907,344 4.237,345 3.302,346 4.51,347 0.86,348 11.607,349 3.074,350 4.188,351 3.088,352 6.255,353 3.795,354 2.836,355 3.805,356 0.8,357 9.304,358 2.729,359 3.973,360 2.857,361 6.103,362 3.669,363 2.728,364 3.401,365 0.4,366 8.904,367 2.557,368 3.665,369 2.79,370 5.55,371 3.39,372 2.474,373 3.06,374 0.172,375 7.358,376 2.264,377 3.55,378 2.441,379 5.228,380 3.203,381 2.289,382 2.685,384 6.239,385 2.088,386 3.253,387 2.318,388 5.045,389 2.958,390 2.021,391 2.37,393 6.032,394 1.887,395 3.081,396 2.255,397 4.871,398 2.702,399 1.782,400 2.22,402 5.201,403 1.634,404 2.871,405 1.975,406 4.567,407 2.467,408 1.55,409 2.007,411 4.604,412 1.417,413 2.703,414 1.751,415 4.387,416 2.362,417 1.443,418 1.694,420 4.107,421 1.322,422 2.512,423 1.432,424 4.042,425 2.212,426 1.311,427 1.512,428 3.227,429 1.172,430 2.5,431 1.256,432 3.504,433 1.967,434 1,435 1.5,436 2.308,437 0.965,438 2.109,439 1.146,440 3.414,441 1.952,442 1,443 1.039,445 2.275,446 0.946,447 2,448 1.13,449 3.414,450 1.917,451 1,452 1,454 2.275,455 0.916,456 2,457 1,458 3.247,459 1.775,460 0.857,461 1,463 2.136,464 0.782,465 15.933,466 0.469,467 1.052,468 0.031,469 43,470 1.265,471 18,472 0.529,473 25,474 0.735,475 33.043,476 0.972,477 38.667,478 0.614,479 34.836,480 1.025,481 8.172,482 0.24,483 8.12,484 0.239,485 0.13,486 0.052,487 0.32,493 0.754,494 1.868,495 0.806,496 1.454,497 0.722,498 1.095,499 1.016,500 1.087,501 0.962,502 0.916,503 0.541,504 0.817,505 1.175,506 0.96,507 1.156,508 0.987,509 1.043,510 0.992,511 0.931,512 1.261,513 1.078,514 1.225,515 1.104,516 1.196,517 0.894,518 0.843,519 0.706,520 0.635,521 0.907,522 0.754,523 0.752,524 0.937,525 0.993,526 0.971,527 0.427,528 1.07,529 0.699,530 1.351,531 0.918,532 1.303,533 0.697,534 1.366,535 0.753,536 0.928,537 0.754,538 0.814,539 0.479,540 0.873,541 8,542 0.178,543 4.444,544 2.451,545 1.805,546 1.907,547 0.981,548 0.563,549 0.554,550 0.343,551 16427,552 47790,553 2.102,554 46,556 21,557 1,558 2,559 2,560 3,564 1.764,565 1.952,566 3.534,567 0.323,573 110.164,574 1.749,575 3.655,576 4.699,577 5.001,578 5.001,579 5.001,580 3.044,581 4.477,582 5.052,583 3.75,584 2103.62,585 8.889,586 31465.5,591 376.569,592 1.583,593 5.007,594 0.211,595 0.006,596 0.079,597 0.043,598 0.035,599 0.035,600 0.018,601 0.011,602 0.012,603 0.008,604 0.458,605 0.33,606 0.63,607 0.706,608 180.696,609 0.012,610 -0.511,611 0.206,612 -0.219,613 -0.127,614 -0.052,615 0.056,616 0.071,617 0.038,618 0.103,619 0.262,620 0.132,621 -0.159,622 0.157,623 -0.169,624 0.043,625 -0.098,626 -0.021,627 -0.089,628 -0.219,629 -0.155,630 -0.211,631 -0.126,632 -0.185,633 -0.01,634 0.09,635 0.125,636 0.207,637 -0.058,638 0.21,639 -0.021,640 0.2,641 -0.157,642 -0.02,643 -0.008,644 -0.089,645 0.011,646 -0.289,647 -0.132,648 -0.32,649 -0.061,650 -0.331,651 0.04,652 -0.043,653 0.154,654 0.067,655 0.081,656 0.111,657 4.075,658 4.834,659 0.794,660 38.837,661 1.013,662 1.146,663 0.395,664 0.156,665 0.646,666 3.664,667 4.043,668 4.317,669 4.595,670 4.898,671 5.069,672 5.278,673 5.476,674 5.638,675 5.768,676 7.261,677 0.616,678 487.66,679 3.664,680 5.242,681 6.107,682 7.009,683 7.897,684 8.805,685 9.703,686 10.617,687 11.521,688 12.438,689 14.3,692 2,693 1,695 1,697 1,699 4,703 1,704 3,705 4,709 6,711 16,722 1,726 1,731 63,733 18,735 38,737 67,738 21,739 10,746 5,747 6,752 1,761 10,762 11,766 2,769 1,771 2,781 29,782 11,783 2,784 13,785 1,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 2,848 34,849 1,852 1,854 9,856 1,859 3,870 4.8,873 2,874 1,877 17.417,878 11.85,879 7.167,880 3.668,881 3.002,882 1.361,883 1.004,884 6.441,885 11.323,886 3.892,887 4.541,888 5.073,889 5.679,890 6.271,891 6.712,892 7.218,893 7.702,894 8.065,895 8.435,896 1,897 57,898 12.752,900 5.648,901 7.782,902 24.279,904 20.501,905 2.282,906 77.583,910 317.82,911 90.288,912 109.093,914 55.313,916 5.807,917 84.481,918 373.133,919 109.093,920 16.016,921 23.925,922 47.752,923 147.712,924 35.848,925 18.755,926 282.506,928 317.82,929 193.574,930 55.313,931 5.807,933 317.82,934 44.313,935 11,937 65.902,938 60.53,939 72.95,941 317.82,942 164.406,943 90.288,945 5.807,946 317.82,947 41.323,948 52.211,950 155.352,951 317.82,952 164.406,953 90.288,955 0.598,956 0.34,957 0.175,958 0.102,959 29,960 13,961 0.075,962 5,963 1,964 1.074,965 4.376,966 336.088,967 0.074,968 27,969 158.974,973 1,974 23.394,975 9.361,976 4.906,977 0.796,978 163.119,979 5.309,980 18.175,984 4.508,986 32.897,987 572.514,988 48,991 -3.158,993 23.667,999 63.811,1000 72.185,1001 0.293,1002 0.611,1003 0.786,1004 0.837,1005 0.837,1006 0.837,1007 5.176,1008 1.782,1009 6.138,1010 6.032,1011 4.727,1012 5.228,1013 1.661,1014 7.006,1015 4.586,1016 6.413,1017 1.55,1018 7.739,1019 5.201,1020 4.511,1021 5.359,1022 0.57,1023 8.141,1024 4.302,1025 7.769,1026 1.443,1027 9.448,1028 4.604,1029 6.418,1030 7.55,1031 1.271,1032 11.195,1033 6.144,1034 9.164,1035 1.311,1036 11.221,1037 4.107,1038 6.995,1039 8.495,1040 0.581,1041 13.131,1042 6.656,1043 10.596,1044 1,1045 13.036,1046 3.227,1047 8.429,1048 10.246,1049 1.026,1050 15.763,1051 8.024,1052 12.053,1053 1,1054 14.879,1055 2.308,1056 9.346,1057 11.523,1058 0.515,1059 18.006,1060 8.875,1061 13.53,1062 1,1063 16.743,1064 2.275,1065 10.61,1066 13.126,1067 0.841,1068 20.509,1069 10.071,1070 3.317,1071 0.857,1072 18.622,1073 2.275,1074 11.677,1075 14.542,1076 0.441,1077 22.873,1078 11.07,1079 3.302,1080 11.658,1081 20.514,1082 2.136,1083 12.882,1084 16.093,1085 0.689,1086 25.335,1087 12.206,1088 2.836,1089 11.607,1090 22.415,1091 4.689,1092 14.015,1093 17.57,1094 0.373,1095 27.748,1096 13.268,1097 2.728,1098 9.304,1099 24.325,1100 4.51,1101 15.202,1102 19.103,1103 0.564,1104 30.199,1105 14.385,1106 2.474,1107 8.904,1108 26.24,1109 3.805,1110 16.365,1111 20.608,1112 0.314,1113 32.633,1114 15.476,1115 2.289,1116 7.358,1117 28.161,1118 3.401,1119 17.55,1120 22.136,1121 0.461,1122 35.082,1123 16.589,1124 2.021,1125 6.239,1126 30.087,1127 3.06,1128 18.726,1129 23.654,1130 0.264,1131 37.526,1132 17.694,1133 15500,1134 26592,1135 25.255,1136 40.676,1137 58.156,1138 59.857,1139 59.282,1140 58.304,1141 58.26,1142 73.484,1143 6.298,1144 175.669,1145 54.104,1146 5.744,1147 6.375,1148 6.913,1149 5.355,1150 5.317,1151 7.689,1152 1.776,1153 19.206,1154 4.982,1155 17.844,1156 1.53,1157 1.575,1158 1.56,1159 1.534,1160 1.533,1161 1.934,1162 0.166,1163 4.623,1164 1.424,1165 4.158,1166 4.208,1167 4.722,1168 3.997,1169 7.716,1170 4.016,1171 4.009,1172 4.005,1173 4.131,1174 3.94,1175 6.999,1176 3.829,1177 3.821,1178 3.876,1179 3.785,1180 3.659,1181 5.243,1182 3.681,1183 3.747,1184 3.803,1185 3.645,1186 3.533,1187 5.056,1188 3.545,1189 3.645,1190 3.679,1191 3.586,1192 3.465,1193 4.629,1194 3.447,1195 3.359,1196 3.423,1197 3.282,1198 3.181,1199 4.612,1200 3.193,1201 3.111,1202 3.206,1203 2.967,1204 2.941,1205 4.389,1206 2.91,1207 3.111,1208 3.206,1209 2.89,1210 2.941,1211 4.261,1212 2.91,1213 0.125,1214 0.115,1215 0.187,1216 0.112,1217 0.087,1218 4.744,1219 0.123,1220 4.375,1221 0.024,1222 7.111,1223 0.307,1224 4.252,1225 0.081,1226 3.317,1227 4.689,1228 0.916,1229 11.658,1230 3.093,1231 1.926,1232 1.882,1233 2,1234 2.113,1235 1.334,1236 2.082,1237 1.855,1238 1.843,1239 1.973,1240 2.044,1241 1.22,1242 2.068,1243 1.708,1244 1.654,1245 1.883,1246 1.934,1247 1.076,1248 1.92,1249 1.661,1250 1.627,1251 1.782,1252 1.857,1253 0.961,1254 1.852,1255 1.568,1256 1.523,1257 1.642,1258 1.774,1259 0.858,1260 1.795,1261 1.441,1262 1.393,1263 1.583,1264 1.63,1265 0.825,1266 1.652,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.713,1278 1.429,1279 4.344,1281 5.707,1282 2.398,1283 7.259,1284 4.844,1285 8.891,1286 7.034,1287 10.567,1289 3.313,1293 5.67,1295 5.721,1297 5.539,1300 5.968,1305 38.792,1306 110.164,1307 230.265,1308 296.039,1309 315.059,1310 315.059,1311 315.059,1312 61.275,1313 8.321,1314 135.08,1315 143.46,1316 29,1317 12.952,1318 4.248,1319 3.459,1320 49.809,1321 148,1322 148,1323 0.166,1324 239.019,1325 402.76,1326 574.967,1327 46541,1329 23.872,1330 0.702,1331 0.594,1332 24.122,1333 20.201,1334 16.292,1335 0.429,1336 0.345,1337 11.172,1338 14.595,1339 10.745,1340 8.792,1341 17.186,1342 13.109,1343 15.815,1344 0.282,1345 0.19,1346 17.203,1347 10.637,1348 12.934,1349 0.175,1350 0.104,1351 13.69,1352 7.681,1353 10.58,1354 0.108,1355 0.053,1356 11.097,1357 5.196,1358 9.054,1359 0.068,1360 0.027,1361 9.422,1362 3.653,1363 0.259,1364 112.985,1365 0.199,1366 31.187,1367 0.463,1368 188,1369 578.54,1370 246.904,1371 569.03,1372 778.39,1373 530,1374 224,1375 555.853,1376 291.501,1377 589.797,1378 863.54,1379 551,1380 7.812}
{0 CHEMBL2087493,1 1.875,2 12.265,3 0.807,4 0.651,5 129.929,6 8.468,7 0.421,8 4.235,9 4.354,10 4.026,11 3.7,12 5.275,13 3.694,14 4.834,15 5.02,16 4.355,17 4.105,18 6.032,19 4.091,20 5.058,21 5.259,22 4.428,23 4.307,24 6.121,25 4.243,26 5.131,27 5.349,28 4.407,29 4.326,30 6.172,31 4.239,32 5.127,33 5.378,34 4.358,35 4.247,36 6.148,37 4.177,38 4.99,39 5.205,40 4.347,41 4.254,42 5.988,43 4.181,44 4.99,45 5.179,46 4.368,47 4.257,48 6.048,49 4.172,50 5.053,51 5.285,52 4.276,53 4.185,54 6.109,55 4.088,56 0.185,57 1.004,58 13.631,59 4.924,60 20.934,61 6.295,62 0.826,63 1.549,64 29.412,65 8.229,66 67.929,67 10.835,68 0.956,69 1.798,70 39.098,71 11.517,72 73.894,73 14.805,74 0.858,75 1.811,76 44.501,77 12.878,78 89.528,79 17.514,80 1.137,81 1.726,82 44.926,83 11.078,84 93.327,85 16.49,86 0.808,87 1.689,88 36.079,89 10.583,90 45.536,91 14.625,92 0.691,93 1.616,94 36.109,95 11.333,96 61.528,97 15.166,98 0.993,99 1.551,100 49.651,101 11.318,102 81.876,103 15.81,104 27,105 56,106 0.302,107 0.606,108 0.748,109 0.799,110 0.799,111 0.799,112 3.561,113 1.04,114 -1.89,115 -1.95,116 -1.95,119 33.3,124 1,125 9,143 1,145 2,146 2,147 1,150 1,151 1,153 1,161 1,163 1,164 1,165 1,174 6,175 4,177 2,178 2,186 7,187 2,195 1,198 3,199 2,204 1,209 1,211 5,212 4,223 7,224 1,226 1,227 1,236 3,237 2,239 1,240 1,242 1,247 1,249 2,250 1,252 1,253 1,262 9,263 1,265 1,266 1,275 2062,276 22.643,277 22.643,278 22.643,279 22.643,280 22.643,281 20.425,282 29.362,283 13.064,284 23.611,285 18.778,286 18.778,287 18.778,288 18.778,289 18.778,290 15.282,291 38.805,292 6.26,293 20.444,294 4.032,295 2.142,296 1.263,297 0.946,298 0.946,299 0.946,300 4.265,302 1,306 910,307 3.536,310 75.899,311 412.992,314 141.571,318 1.869,319 44.354,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 75.833,331 417,332 4.744,333 4.375,334 7.111,335 4.249,336 3.319,337 4.687,338 0.916,339 11.703,340 3.077,341 4.729,342 3.482,343 6.937,344 4.233,345 3.31,346 4.51,347 0.86,348 11.657,349 3.042,350 4.179,351 3.054,352 6.348,353 3.772,354 2.819,355 3.804,356 0.8,357 9.578,358 2.687,359 3.88,360 3.013,361 5.979,362 3.604,363 2.681,364 3.255,365 0.4,366 8.515,367 2.474,368 3.776,369 2.717,370 5.526,371 3.404,372 2.496,373 3.212,374 0.172,375 7.426,376 2.254,377 3.553,378 2.529,379 5.204,380 3.224,381 2.315,382 2.747,384 6.345,385 2.096,386 3.284,387 2.351,388 4.982,389 2.915,390 1.981,391 2.425,393 5.809,394 1.842,395 3.1,396 2.264,397 4.925,398 2.788,399 1.895,400 2.189,402 5.376,403 1.657,404 2.894,405 2.108,406 4.573,407 2.51,408 1.598,409 2.018,411 4.63,412 1.446,413 2.685,414 1.845,415 4.507,416 2.357,417 1.437,418 1.676,420 4.255,421 1.316,422 2.5,423 1.465,424 3.811,425 2.114,426 1.243,427 1.5,428 2.958,429 1.075,430 2.388,431 1.256,432 3.518,433 1.967,434 1,435 1.376,436 2.275,437 0.965,438 2.056,439 1.146,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1,449 3.414,450 1.917,451 1,452 1,454 2.136,455 0.916,456 2,457 0.988,458 3.284,459 1.53,460 0.651,461 0.9,463 1.876,464 0.553,465 16.148,466 0.475,467 1.052,468 0.031,469 43.25,470 1.272,471 18,472 0.529,473 25.25,474 0.743,475 32.809,476 0.965,477 38.452,478 0.641,479 35.061,480 1.031,481 8.201,482 0.241,483 8.091,484 0.238,485 0.141,486 0.052,487 0.316,493 0.743,494 1.876,495 0.692,496 1.362,497 0.702,498 1.033,499 0.968,500 1.078,501 0.847,502 0.879,503 0.543,504 0.797,505 1.101,506 0.953,507 1.022,508 0.946,509 1.017,510 0.962,511 0.937,512 1.204,513 1.001,514 1.116,515 1.091,516 1.08,517 0.9,518 0.863,519 0.786,520 0.691,521 0.964,522 0.793,523 0.761,524 0.925,525 0.997,526 0.943,527 0.486,528 1.008,529 0.947,530 1.245,531 1.133,532 1.206,533 0.864,534 1.252,535 1.054,536 1.091,537 1.413,538 1.153,539 0.706,540 1.119,541 8,542 0.228,543 4.222,544 2.472,545 2.116,546 1.65,547 1.041,548 0.596,549 0.447,550 0.359,551 16455,552 52112,553 2.102,554 43.3,556 21,557 1,558 2,559 2,564 1.764,565 1.952,566 3.541,567 0.352,573 112.479,574 1.875,575 3.765,576 4.644,577 4.961,578 4.961,579 4.961,580 3.044,581 4.595,582 5.053,583 3.754,584 2106.01,585 8.887,586 31522.9,591 354.413,592 1.583,593 5.007,594 0.211,595 0.007,596 0.075,597 0.043,598 0.039,599 0.031,600 0.02,601 0.012,602 0.01,603 0.009,604 0.458,605 0.33,606 0.63,607 0.706,608 180.765,609 -0.018,610 -0.529,611 0.146,612 -0.215,613 -0.121,614 -0.054,615 0.037,616 0.084,617 0.018,618 0.096,619 0.24,620 0.117,621 -0.13,622 0.139,623 -0.091,624 0.062,625 -0.085,626 -0.001,627 -0.065,628 -0.195,629 -0.035,630 -0.109,631 -0.092,632 -0.07,633 0.022,634 0.07,635 0.108,636 0.165,637 -0.064,638 0.176,639 0.014,640 0.168,641 -0.074,642 0.004,643 -0.006,644 -0.034,645 -0.07,646 -0.193,647 -0.123,648 -0.218,649 -0.092,650 -0.246,651 -0.08,652 -0.146,653 -0.173,654 -0.166,655 0.011,656 -0.116,657 4.089,658 4.802,659 0.794,660 38.644,661 1.021,662 1.145,663 0.663,664 0.439,665 0.663,666 3.664,667 4.043,668 4.317,669 4.605,670 4.898,671 5.075,672 5.278,673 5.46,674 5.595,675 5.768,676 7.28,677 0.635,678 508.07,679 3.664,680 5.242,681 6.107,682 7.011,683 7.898,684 8.809,685 9.707,686 10.621,687 11.526,688 12.444,689 15,692 2,693 1,695 1,697 1,699 4,703 1,704 3,705 4,709 6,711 16,722 1,726 1,730 1,731 60,733 18,735 38,737 64,738 20,739 10,746 5,747 6,748 1,761 10,762 10,766 2,769 1,771 2,781 26,782 11,783 2,784 14,785 2,787 1,790 9,794 0.8,795 3,802 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,842 1,844 1,845 1,848 34,849 1,852 1,854 9,856 1,859 3,869 1,870 5,873 2,874 1,877 17.417,878 10.993,879 7.167,880 3.454,881 3.002,882 1.361,883 1.007,884 6.633,885 11.322,886 3.892,887 4.541,888 5.073,889 5.689,890 6.275,891 6.723,892 7.212,893 7.694,894 8.031,895 8.409,896 1,897 57,898 12.749,900 5.693,901 7.844,902 24.065,904 20.336,905 2.344,906 79.694,910 282.506,911 81.778,912 109.093,913 39.149,914 55.313,916 5.807,917 75.97,918 376.968,919 109.093,920 7.19,921 23.925,922 47.752,923 147.712,924 38.919,925 55.147,926 247.193,928 282.506,929 185.063,930 55.313,931 44.956,933 282.506,934 44.313,935 11,937 60.149,938 57.773,939 72.95,940 39.149,941 282.506,942 164.406,943 120.927,945 5.807,946 282.506,947 41.638,948 43.386,950 194.501,951 282.506,952 164.406,953 120.927,955 0.598,956 0.34,957 0.177,958 0.102,959 29,960 13,961 0.078,962 5,963 1,964 1.074,965 4.375,966 336.14,967 0.074,968 27,969 156.974,973 1,974 23.666,975 9.529,976 5.011,977 0.664,978 163.119,979 5.114,980 17.898,984 3.324,986 32.897,987 567.839,988 48,991 -3.173,993 23.604,999 61.251,1000 68.714,1001 0.317,1002 0.637,1003 0.786,1004 0.84,1005 0.84,1006 0.84,1007 5.176,1008 1.895,1009 6.138,1010 5.809,1011 4.727,1012 5.228,1013 1.661,1014 7.008,1015 4.562,1016 6.413,1017 1.598,1018 7.739,1019 5.376,1020 4.511,1021 5.359,1022 0.57,1023 8.146,1024 4.258,1025 7.769,1026 1.437,1027 9.449,1028 4.63,1029 6.418,1030 7.55,1031 1.271,1032 11.207,1033 6.104,1034 9.164,1035 1.243,1036 11.223,1037 4.255,1038 6.995,1039 8.495,1040 0.581,1041 13.145,1042 6.593,1043 10.596,1044 1,1045 13.039,1046 2.958,1047 8.427,1048 10.244,1049 1.026,1050 15.787,1051 7.964,1052 12.053,1053 1,1054 14.884,1055 2.275,1056 9.345,1057 11.519,1058 0.515,1059 18.032,1060 8.796,1061 13.529,1062 1,1063 16.75,1064 2.275,1065 10.609,1066 13.122,1067 0.841,1068 20.543,1069 9.992,1070 3.319,1071 0.651,1072 18.632,1073 2.136,1074 11.677,1075 14.537,1076 0.441,1077 22.909,1078 10.977,1079 3.31,1080 11.703,1081 20.526,1082 1.876,1083 12.884,1084 16.087,1085 0.689,1086 25.379,1087 12.109,1088 2.819,1089 11.657,1090 22.431,1091 4.687,1092 14.018,1093 17.564,1094 0.373,1095 27.795,1096 13.162,1097 2.681,1098 9.578,1099 24.343,1100 4.51,1101 15.208,1102 19.097,1103 0.564,1104 30.252,1105 14.274,1106 2.496,1107 8.515,1108 26.261,1109 3.804,1110 16.373,1111 20.602,1112 0.314,1113 32.689,1114 15.358,1115 2.315,1116 7.426,1117 28.184,1118 3.255,1119 17.56,1120 22.13,1121 0.461,1122 35.144,1123 16.465,1124 1.981,1125 6.345,1126 30.112,1127 3.212,1128 18.739,1129 23.647,1130 0.264,1131 37.591,1132 17.563,1133 15528,1134 27801,1135 25.255,1136 39.773,1137 58.214,1138 60.128,1139 59.322,1140 58.175,1141 58.132,1142 73.349,1143 6.298,1144 175.318,1145 53.168,1146 5.744,1147 6.375,1148 6.913,1149 5.353,1150 5.319,1151 7.687,1152 1.776,1153 19.391,1154 4.966,1155 17.868,1156 1.532,1157 1.582,1158 1.561,1159 1.531,1160 1.53,1161 1.93,1162 0.166,1163 4.614,1164 1.399,1165 4.149,1166 4.197,1167 4.722,1168 3.991,1169 7.716,1170 4.007,1171 4.009,1172 4.005,1173 4.195,1174 3.938,1175 6.999,1176 3.829,1177 3.816,1178 3.872,1179 3.781,1180 3.65,1181 5.249,1182 3.672,1183 3.742,1184 3.798,1185 3.644,1186 3.528,1187 5.117,1188 3.539,1189 3.646,1190 3.678,1191 3.64,1192 3.464,1193 4.652,1194 3.448,1195 3.324,1196 3.382,1197 3.459,1198 3.154,1199 4.625,1200 3.165,1201 3.111,1202 3.206,1203 3.149,1204 2.941,1205 4.548,1206 2.91,1207 3.111,1208 3.206,1209 2.915,1210 2.941,1211 4.339,1212 2.91,1213 0.125,1214 0.115,1215 0.187,1216 0.112,1217 0.087,1218 4.744,1219 0.123,1220 4.375,1221 0.024,1222 7.111,1223 0.308,1224 4.249,1225 0.081,1226 3.319,1227 4.687,1228 0.916,1229 11.703,1230 3.077,1231 1.915,1232 1.876,1233 1.976,1234 2.098,1235 1.333,1236 2.07,1237 1.854,1238 1.843,1239 1.967,1240 2.044,1241 1.218,1242 2.063,1243 1.708,1244 1.654,1245 1.868,1246 1.934,1247 1.025,1248 1.917,1249 1.621,1250 1.593,1251 1.692,1252 1.827,1253 0.958,1254 1.827,1255 1.564,1256 1.515,1257 1.625,1258 1.769,1259 0.825,1260 1.783,1261 1.394,1262 1.346,1263 1.562,1264 1.579,1265 0.825,1266 1.596,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.807,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.696,1278 1.429,1279 4.344,1281 5.707,1282 2.398,1283 7.259,1284 4.727,1285 8.895,1286 6.862,1287 10.577,1289 1.247,1290 6.796,1293 5.651,1295 5.385,1297 5.513,1300 5.831,1305 38.093,1306 112.479,1307 225.91,1308 278.639,1309 297.659,1310 297.659,1311 297.659,1312 64.599,1313 8.32,1314 135.08,1315 143.46,1316 29,1317 12.957,1318 4.248,1319 3.459,1320 49.826,1321 148,1322 150,1323 0.166,1324 237.76,1325 400.67,1326 571.894,1327 46520,1328 1.7,1329 23.872,1330 0.702,1331 0.598,1332 24.622,1333 20.334,1334 16.292,1335 0.429,1336 0.347,1337 10.891,1338 14.338,1339 10.496,1340 8.55,1341 17.475,1342 13.176,1343 15.825,1344 0.283,1345 0.191,1346 17.546,1347 10.709,1348 12.865,1349 0.174,1350 0.104,1351 14.05,1352 7.686,1353 10.702,1354 0.108,1355 0.054,1356 11.614,1357 5.315,1358 9.003,1359 0.068,1360 0.027,1361 9.752,1362 3.652,1363 0.258,1364 116.161,1365 0.199,1366 31.196,1367 0.462,1368 188,1369 604.744,1370 263.074,1371 622.892,1372 837.59,1373 578,1374 224,1375 572.716,1376 305.488,1377 616.075,1378 905.25,1379 575,1380 8.284}
{0 CHEMBL2088660,1 1.8,2 9.462,3 3.851,4 14.83,5 100.919,6 10.596,7 0.552,8 3.813,9 3.909,10 3.678,11 3.424,12 5.068,13 3.42,14 4.307,15 4.43,16 4.121,17 3.844,18 5.653,19 3.829,20 4.534,21 4.674,22 4.214,23 3.995,24 5.786,25 3.957,26 4.646,27 4.815,28 4.173,29 3.997,30 5.852,31 3.951,32 4.624,33 4.809,34 4.185,35 3.961,36 5.802,37 3.895,38 4.564,39 4.743,40 4.224,41 3.918,42 5.776,43 3.838,44 4.512,45 4.711,46 4.056,47 3.761,48 5.735,49 3.641,50 4.18,51 4.393,52 3.672,53 3.42,54 5.341,55 3.327,56 0.182,57 0.59,58 2.874,59 3.046,60 5.833,61 3.263,62 0.329,63 0.935,64 7.69,65 5.424,66 45.243,67 5.87,68 0.409,69 1.154,70 18.337,71 7.312,72 30.489,73 7.6,74 0.495,75 1.252,76 18.468,77 8.192,78 49.069,79 8.494,80 0.523,81 1.181,82 18.605,83 8.373,84 62.361,85 9.086,86 0.481,87 1.11,88 16.947,89 8.063,90 57.342,91 8.609,92 0.642,93 0.982,94 43.318,95 9.152,96 65.03,97 9.414,98 0.324,99 0.737,100 17.993,101 5.955,102 37.681,103 6.726,104 27,105 43,106 0.313,107 0.683,108 0.774,109 0.844,110 0.844,111 0.844,112 3.305,113 0.895,114 -4.61,115 -4.53,116 -4.26,117 1,119 46.2,120 1,125 1,142 7,143 3,144 2,152 2,157 1,158 1,166 2,168 1,172 7,174 1,175 8,178 1,183 10,186 2,187 12,190 1,192 2,195 8,198 1,199 10,204 1,207 6,212 8,217 3,220 9,223 1,224 6,229 3,232 13,236 2,237 5,242 3,245 7,250 5,258 4,262 1,263 8,266 1,271 2,275 1008,276 17.292,277 17.292,278 17.292,279 17.292,280 17.292,281 14.696,282 21.742,283 9.85,284 17.654,285 14.283,286 14.283,287 14.283,288 14.283,289 14.283,290 10.324,291 27.384,292 4.659,293 14.897,294 3.485,295 1.357,296 0.831,297 0.43,298 0.43,299 0.43,300 3.999,304 1,305 1,306 534,307 3,310 42.514,311 175.116,314 159.956,318 1.308,319 30.08,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56.75,331 246,332 4.842,333 3.778,334 7.229,335 4.411,336 3.438,337 4.791,338 2.612,339 12.827,340 3.343,341 4.255,342 3.714,343 6.05,344 3.764,345 2.787,346 3.952,347 0.98,348 8.49,349 2.721,350 4.007,351 3.212,352 6.005,353 3.573,354 2.603,355 3.514,356 0.782,357 8.379,358 2.523,359 3.868,360 2.892,361 5.923,362 3.456,363 2.495,364 3.305,365 0.522,366 8.151,367 2.4,368 3.673,369 2.845,370 5.311,371 3.221,372 2.234,373 3.087,375 6.7,376 2.196,377 3.514,378 2.566,379 5.056,380 3.029,381 2.13,382 2.815,384 5.949,385 1.82,386 3.117,387 2.035,388 4.737,389 2.58,390 1.609,391 2.313,393 4.659,394 1.559,395 2.968,396 1.787,397 4.583,398 2.465,399 1.509,400 2.087,402 4.361,403 1.384,404 2.85,405 1.764,406 3.848,407 2.242,408 1.246,409 1.92,411 2.985,412 1.238,413 2.5,414 1.039,415 3.718,416 2,417 1,418 1.5,420 2.427,421 1,422 2.343,423 1,424 3.414,425 1.898,426 0.923,427 1.267,428 2.275,429 0.887,430 1.479,431 1,432 3.068,433 1.2,434 0.163,435 0.194,436 0.358,437 0.166,438 1.373,439 0.952,440 2.772,441 1.026,442 0.059,443 0.075,445 0.155,446 0.054,447 1.028,448 0.426,449 2.676,450 0.536,451 -0.305,452 -0.383,454 -0.781,455 -0.183,456 1,457 0.182,458 2.425,459 0.447,460 -0.532,461 -0.696,463 -1.41,464 -0.519,465 12.933,466 0.497,467 0.806,468 0.031,469 36.75,470 1.413,471 20,472 0.769,473 16.75,474 0.644,475 20.869,476 0.803,477 26.067,478 0.668,479 26.651,480 1.025,481 7.168,482 0.276,483 5.285,484 0.203,485 0.219,487 0.41,493 0.418,494 0.979,495 0.46,496 0.693,497 0.48,498 0.74,499 0.535,500 1.099,501 0.539,502 0.75,503 0.396,504 0.775,505 0.723,506 1.093,507 0.933,508 1.018,509 0.601,510 1.032,511 0.985,512 1.051,513 0.694,514 0.935,515 0.862,516 1.042,517 0.946,518 0.954,519 0.641,520 0.853,521 0.894,522 0.98,523 0.915,524 0.98,525 0.831,526 0.956,527 0.891,528 1.072,529 0.966,530 0.946,531 1.778,532 1.371,533 1.019,534 1.261,535 0.894,536 1.113,537 0.951,538 1.043,539 0.843,540 1.078,541 5.5,542 0.128,543 3.333,544 2.674,545 2.045,546 1.285,547 0.593,548 0.35,549 0.326,550 0.255,551 7211,552 27129,553 2.078,554 33.3,556 9,559 1,560 3,564 1.696,565 1.902,566 3.164,567 -0.256,569 1,573 70.211,574 1.8,575 3.929,576 4.454,577 4.856,578 4.856,579 4.856,580 2.632,581 4.21,582 4.668,583 3.346,584 1087.39,585 8.118,586 12956.4,588 1,590 1,591 206.131,592 1.513,593 4.611,594 0.19,595 0.009,596 0.078,597 0.058,598 0.048,599 0.033,600 0.016,601 0.013,602 0.016,603 0.014,604 0.474,605 0.33,606 1,607 0.819,608 124.491,609 0.185,610 0.13,611 0.004,612 0.065,613 -0.006,614 0.028,615 0.134,616 -0.046,617 0.033,618 0.07,619 0.187,620 0.076,622 -0.055,623 -0.095,624 -0.119,625 0.022,626 -0.139,627 -0.146,628 -0.048,629 -0.042,630 -0.064,631 -0.067,632 -0.103,633 -0.112,634 0.002,635 0.042,636 0.057,637 -0.073,638 0.025,639 -0.084,640 -0.025,641 0.036,642 0.002,643 -0.085,644 -0.064,645 -0.009,646 -0.053,647 -0.162,648 -0.173,649 -0.098,650 -0.132,651 -0.05,652 -0.191,653 0.017,654 -0.033,655 -0.055,656 0.018,657 2.429,658 5.5,659 0.731,660 21.077,661 1.027,662 1.116,663 3.379,664 11.419,665 0.732,666 3.401,667 3.784,668 4.111,669 4.454,670 4.779,671 4.934,672 5.075,673 5.247,674 5.308,675 5.318,676 5.612,677 0.715,678 413.25,679 3.401,680 4.977,681 5.861,682 6.779,683 7.691,684 8.619,685 9.543,686 10.477,687 11.408,688 12.346,689 10.3,696 1,697 1,698 1,700 1,703 2,704 7,709 5,710 1,711 16,725 1,730 1,731 39,733 20,734 2,735 29,736 1,737 42,738 18,739 14,740 5,741 7,742 2,746 4,747 7,749 1,752 1,761 16,762 2,766 4,768 1,771 3,774 1,775 2,778 1,781 13,782 5,783 1,784 8,785 1,790 4,794 0.5,795 3,807 1,811 1,812 3,815 2,840 2,843 1,844 1,848 26,854 1,855 1,869 1,870 7.7,873 1,876 2,877 13.667,878 7.576,879 5.556,880 2.244,881 3.701,882 1.478,883 1.026,884 4.135,885 11.442,886 3.738,887 4.428,888 5.063,889 5.737,890 6.363,891 6.795,892 7.22,893 7.678,894 7.986,895 8.291,896 1,897 46,898 9.58,900 4.22,901 8.029,902 17.806,904 14.879,905 2.529,906 65.75,910 141.253,911 104.383,912 88.074,914 75.892,917 150.337,918 217.145,919 42.12,920 14.495,921 19.994,922 66.334,923 32.606,924 33.318,925 4.901,926 141.253,927 96.701,928 141.253,929 146.503,930 75.892,932 45.954,933 141.253,934 25.145,935 50.747,937 47.381,938 93.452,939 5.67,940 45.954,941 141.253,942 118.012,943 150.337,946 141.253,947 29.224,948 82.728,949 63.842,950 92.555,951 141.253,952 118.012,953 150.337,955 0.598,956 0.354,957 0.196,958 0.119,959 23,960 11,961 0.071,962 3,963 2,964 1.211,965 3.634,966 235.529,967 0.211,968 19,969 116.211,974 16.947,975 6.345,976 2.868,977 1.843,978 110.443,979 12.188,984 3.18,985 1.922,986 17.888,987 409.602,988 41,990 -0.429,993 34.173,996 4.097,997 0.477,999 40.036,1000 43.539,1001 0.341,1002 0.743,1003 0.843,1004 0.919,1005 0.919,1006 0.919,1007 4.997,1008 1.509,1009 5.883,1010 4.659,1011 4.466,1012 5.115,1013 2.766,1014 6.77,1015 4.392,1016 6.258,1017 1.246,1018 7.491,1019 4.361,1020 4.205,1021 5.139,1022 2.361,1023 7.825,1024 4.072,1025 7.608,1026 1,1027 9.198,1028 2.985,1029 6.129,1030 7.435,1031 4.197,1032 10.987,1033 5.997,1034 8.994,1035 0.923,1036 10.964,1037 2.427,1038 6.661,1039 8.265,1040 4.506,1041 12.916,1042 6.487,1043 10.411,1044 0.163,1045 12.769,1046 2.275,1047 8.108,1048 10.079,1049 5.954,1050 15.641,1051 7.926,1052 11.851,1053 0.059,1054 14.603,1055 0.358,1056 9.009,1057 11.291,1058 6.556,1059 17.951,1060 8.794,1061 13.312,1062 -0.305,1063 16.461,1064 0.155,1065 10.288,1066 12.928,1067 7.795,1068 20.546,1069 10.056,1070 3.438,1071 -0.532,1072 18.337,1073 -0.781,1074 11.364,1075 14.325,1076 8.548,1077 23.009,1078 11.102,1079 2.787,1080 12.827,1081 20.228,1082 -1.41,1083 12.59,1084 15.901,1085 9.67,1086 25.569,1087 12.306,1088 2.603,1089 8.49,1090 22.133,1091 4.791,1092 13.748,1093 17.384,1094 10.509,1095 28.088,1096 13.435,1097 2.495,1098 8.379,1099 24.05,1100 3.952,1101 14.963,1102 18.942,1103 11.563,1104 30.64,1105 14.626,1106 2.234,1107 8.151,1108 25.976,1109 3.514,1110 16.159,1111 20.467,1112 12.452,1113 33.18,1114 15.792,1115 2.13,1116 6.7,1117 27.911,1118 3.305,1119 17.377,1120 22.022,1121 13.468,1122 35.731,1123 16.984,1124 1.609,1125 5.949,1126 29.853,1127 3.087,1128 18.59,1129 23.566,1130 14.386,1131 38.278,1132 18.169,1133 6978,1134 13645,1135 19.016,1136 28.546,1137 44.9,1138 47.071,1139 46.71,1140 44.715,1141 44.393,1142 61.635,1143 9.792,1144 135.435,1145 42.58,1146 5.682,1147 5.778,1148 6.643,1149 5.447,1150 5.438,1151 7.791,1152 4.612,1153 20.355,1154 5.343,1155 14.561,1156 1.548,1157 1.623,1158 1.611,1159 1.542,1160 1.531,1161 2.125,1162 0.338,1163 4.67,1164 1.468,1165 4.185,1166 4.214,1167 6.88,1168 4.101,1169 7.815,1170 4.108,1171 3.967,1172 3.993,1173 4.141,1174 3.855,1175 7.429,1176 3.86,1177 3.643,1178 3.686,1179 3.929,1180 3.529,1181 6.999,1182 3.524,1183 3.541,1184 3.574,1185 3.533,1186 3.241,1187 4.941,1188 3.276,1189 3.302,1190 3.354,1191 3.488,1192 3.041,1193 4.679,1194 3.081,1195 3.133,1196 3.187,1197 3.175,1198 2.884,1199 4.612,1200 2.909,1201 2.928,1202 2.986,1203 2.991,1204 2.795,1205 4.153,1206 2.787,1207 2.854,1208 2.925,1209 2.797,1210 2.735,1211 3.762,1212 2.715,1213 0.167,1214 0.13,1215 0.249,1216 0.152,1217 0.119,1218 4.842,1219 0.165,1220 3.778,1221 0.09,1222 7.229,1223 0.442,1224 4.411,1225 0.115,1226 3.438,1227 4.791,1228 2.612,1229 12.827,1230 3.343,1231 1.966,1232 1.942,1233 2.054,1234 2.103,1235 1.227,1236 2.079,1237 1.914,1238 1.894,1239 1.975,1240 1.996,1241 1.146,1242 1.995,1243 1.728,1244 1.691,1245 1.819,1246 1.946,1247 0.936,1248 1.9,1249 1.364,1250 1.312,1251 1.567,1252 1.687,1253 0.705,1254 1.625,1255 1.181,1256 1.136,1257 1.374,1258 1.481,1259 0.468,1260 1.472,1261 0.987,1262 0.942,1263 1.181,1264 1.328,1265 0.218,1266 1.301,1267 0.927,1268 0.879,1269 1.138,1270 1.098,1271 0.179,1272 1.121,1273 0.886,1274 0.821,1275 1.112,1276 1.062,1277 0.14,1278 1.107,1279 4.078,1281 5.442,1282 2.398,1283 7.006,1284 4.949,1285 8.664,1286 7.261,1287 10.376,1288 3.479,1289 1.856,1295 0.423,1296 2.541,1305 27.889,1306 70.211,1307 153.218,1308 173.724,1309 189.376,1310 189.376,1311 189.376,1312 46.399,1313 7.741,1314 96.5,1315 96.5,1316 23,1317 12.844,1318 4.392,1319 3.7,1320 37.857,1321 84,1322 100,1323 0.22,1324 175.665,1325 301.07,1326 420.382,1327 22931,1328 2.6,1329 18.422,1330 0.709,1331 0.588,1332 19.422,1333 15.279,1334 12.452,1335 0.429,1336 0.298,1337 7.79,1338 11.342,1339 7.559,1340 6.229,1341 13.03,1342 8.648,1343 11.857,1344 0.276,1345 0.162,1346 12.673,1347 6.949,1348 10.032,1349 0.167,1350 0.082,1351 10.556,1352 4.909,1353 8.6,1354 0.101,1355 0.042,1356 9.038,1357 3.604,1358 7.62,1359 0.065,1360 0.023,1361 8.144,1362 2.732,1363 0.335,1364 87.008,1365 0.229,1366 24.503,1367 0.64,1368 144,1369 479.129,1370 224.451,1371 499.444,1372 663.86,1373 460,1374 175,1375 470.707,1376 218.792,1377 483.084,1378 706.36,1379 453,1380 5}
{0 CHEMBL2088661,1 1.8,2 8.731,3 3.851,4 14.83,5 100.919,6 10.596,7 0.552,8 3.813,9 3.909,10 3.678,11 3.424,12 5.068,13 3.42,14 4.307,15 4.43,16 4.121,17 3.844,18 5.654,19 3.829,20 4.534,21 4.674,22 4.214,23 3.995,24 5.784,25 3.957,26 4.646,27 4.815,28 4.188,29 4,30 5.838,31 3.958,32 4.632,33 4.808,34 4.228,35 3.975,36 5.847,37 3.922,38 4.641,39 4.821,40 4.251,41 3.935,42 5.912,43 3.862,44 4.486,45 4.675,46 4.122,47 3.785,48 5.707,49 3.692,50 4.266,51 4.454,52 3.837,53 3.481,54 5.603,55 3.437,56 0.182,57 0.59,58 2.874,59 3.046,60 5.833,61 3.263,62 0.329,63 0.935,64 7.69,65 5.424,66 45.354,67 5.87,68 0.409,69 1.154,70 18.337,71 7.312,72 29.878,73 7.6,74 0.492,75 1.254,76 18.818,77 8.213,78 54.075,79 8.562,80 0.505,81 1.213,82 16.676,83 8.109,84 51.051,85 8.631,86 0.686,87 1.161,88 20.097,89 8.625,90 84.298,91 8.764,92 0.494,93 0.978,94 41.717,95 8.87,96 53.115,97 9.18,98 0.38,99 0.801,100 17.477,101 6.138,102 34.769,103 6.641,104 27,105 43,106 0.313,107 0.683,108 0.792,109 0.879,110 0.879,111 0.879,112 3.306,113 0.895,114 -4.61,115 -4.53,116 -4.26,117 1,119 46.2,120 1,125 1,142 7,143 3,144 2,152 2,157 1,158 1,166 2,168 1,172 7,174 1,175 8,178 1,183 10,186 2,187 12,190 1,192 2,195 8,198 1,199 9,204 1,207 6,211 1,212 9,217 3,220 9,223 2,224 6,229 3,232 10,237 7,242 2,245 8,249 1,250 10,253 1,255 1,258 5,262 3,263 6,266 2,271 2,275 984,276 17.292,277 17.292,278 17.292,279 17.292,280 17.292,281 14.696,282 21.742,283 9.891,284 17.654,285 14.3,286 14.3,287 14.3,288 14.3,289 14.3,290 10.33,291 29.302,292 4.686,293 14.913,294 3.485,295 1.357,296 0.728,297 0.224,298 0.224,299 0.224,300 3.999,304 1,305 1,306 491,307 3,310 40.629,311 172.022,314 154.192,318 1.157,319 30.891,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56.75,331 227,332 4.842,333 3.781,334 7.229,335 4.411,336 3.439,337 4.791,338 2.612,339 12.827,340 3.343,341 4.277,342 3.714,343 6.054,344 3.797,345 2.819,346 3.976,347 0.98,348 8.609,349 2.755,350 4.007,351 3.212,352 6.02,353 3.572,354 2.602,355 3.514,356 0.782,357 8.444,358 2.522,359 3.845,360 2.892,361 5.946,362 3.423,363 2.466,364 3.266,365 0.522,366 8.173,367 2.362,368 3.649,369 2.845,370 5.264,371 3.184,372 2.197,373 3.065,375 6.49,376 2.16,377 3.513,378 2.572,379 5.05,380 3.024,381 2.123,382 2.815,384 5.937,385 1.818,386 3.118,387 2.007,388 4.735,389 2.583,390 1.611,391 2.314,393 4.651,394 1.56,395 2.964,396 1.773,397 4.583,398 2.476,399 1.517,400 2.098,402 4.359,403 1.406,404 2.838,405 1.729,406 3.845,407 2.311,408 1.318,409 1.915,411 3.057,412 1.297,413 2.587,414 1.192,415 3.706,416 2,417 1,418 1.585,420 2.424,421 1,422 2.337,423 1.03,424 3.436,425 1.895,426 0.921,427 1.26,428 2.322,429 0.884,430 1.475,431 1,432 3.067,433 1.2,434 0.162,435 0.193,436 0.357,437 0.166,438 1.3,439 0.932,440 2.772,441 0.963,447 1.024,448 0.362,449 2.68,450 0.535,451 -0.309,452 -0.388,454 -0.812,455 -0.191,456 1,457 0.126,458 2.43,459 0.361,460 -0.623,461 -0.823,463 -1.61,464 -0.606,465 12.933,466 0.497,467 0.806,468 0.031,469 36.75,470 1.413,471 20,472 0.769,473 16.75,474 0.644,475 20.992,476 0.807,477 26.067,478 0.668,479 26.919,480 1.035,481 7.168,482 0.276,483 5.285,484 0.203,485 0.219,487 0.41,493 0.418,494 0.979,495 0.46,496 0.693,497 0.48,498 0.74,499 0.535,500 1.099,501 0.539,502 0.75,503 0.396,504 0.775,505 0.723,506 1.093,507 0.933,508 1.018,509 0.604,510 1.032,511 0.975,512 1.064,513 0.685,514 0.921,515 0.87,516 1.011,517 0.942,518 0.977,519 0.642,520 0.897,521 0.861,522 1.012,523 1.16,524 0.921,525 0.809,526 0.849,527 1.27,528 1,529 0.904,530 1.077,531 1.781,532 1.436,533 0.852,534 1.217,535 1.013,536 1.125,537 0.893,538 1.08,539 1.074,540 1.052,541 5.5,542 0.095,543 3.111,544 2.799,545 2.045,546 1.174,547 0.555,548 0.462,549 0.399,550 0.186,551 6971,552 25905,553 2.078,554 33.3,556 9,559 1,560 3,564 1.698,565 1.902,566 3.104,567 -0.256,569 1,573 70.211,574 1.8,575 3.929,576 4.557,577 5.061,578 5.061,579 5.061,580 2.459,581 4.239,582 4.672,583 3.243,584 1054.13,585 8.137,586 12571.6,588 1,590 1,591 206.131,592 1.513,593 4.611,594 0.19,595 0.012,596 0.072,597 0.061,598 0.046,599 0.029,600 0.015,601 0.015,602 0.015,603 0.01,604 0.465,605 0.33,606 1,607 0.819,608 123.708,609 0.185,610 0.13,611 0.004,612 0.065,613 -0.006,614 0.028,615 0.134,616 -0.046,617 0.033,618 0.07,619 0.188,620 0.076,622 -0.055,623 -0.095,624 -0.119,625 0.019,626 -0.139,627 -0.135,628 -0.061,629 -0.033,630 -0.05,631 -0.074,632 -0.071,633 -0.1,634 0.008,635 0.027,636 -0.009,637 -0.05,638 -0.045,639 -0.13,640 0.02,641 0.03,642 0.109,643 -0.185,644 0.003,645 -0.031,646 -0.172,647 -0.148,648 -0.245,649 -0.042,650 -0.106,651 0.015,652 -0.184,653 0.017,654 -0.107,655 -0.029,656 -0.028,657 2.423,658 5.513,659 0.731,660 19.692,661 1.027,662 1.116,663 3.379,664 11.419,665 0.732,666 3.401,667 3.784,668 4.111,669 4.466,670 4.787,671 4.927,672 5.094,673 5.263,674 5.313,675 5.308,676 5.366,677 0.715,678 413.25,679 3.401,680 4.977,681 5.861,682 6.781,683 7.694,684 8.623,685 9.548,686 10.483,687 11.415,688 12.353,689 10.3,696 1,697 1,698 1,700 1,703 2,704 7,709 5,710 1,711 16,725 1,730 1,731 39,733 20,734 2,735 29,736 1,737 42,738 18,739 14,740 5,741 7,742 2,746 4,747 7,749 1,752 1,761 16,762 2,766 4,768 1,771 3,774 1,775 2,778 1,781 13,782 5,783 1,784 8,785 1,790 4,794 0.5,795 3,807 1,811 1,812 3,815 2,840 2,843 1,844 1,848 26,854 1,855 1,869 1,870 7.7,873 1,876 2,877 13.667,878 7.576,879 5.556,880 2.244,881 3.734,882 1.482,883 1.026,884 4.135,885 11.475,886 3.738,887 4.428,888 5.063,889 5.744,890 6.371,891 6.78,892 7.237,893 7.686,894 7.989,895 8.278,896 0.833,897 46,898 9.59,900 4.233,901 8.029,902 17.806,904 14.879,905 2.529,906 65.75,910 141.253,911 104.383,912 88.074,914 75.892,917 150.337,918 217.145,919 42.12,920 14.495,921 19.994,922 66.334,923 32.606,924 33.318,925 4.901,926 141.253,927 96.701,928 141.253,929 146.503,930 75.892,932 45.954,933 141.253,934 25.145,935 50.747,937 47.381,938 93.452,939 5.67,940 45.954,941 141.253,942 118.012,943 150.337,946 141.253,947 29.224,948 82.728,949 63.842,950 92.555,951 141.253,952 118.012,953 150.337,955 0.597,956 0.354,957 0.199,958 0.123,959 23,960 11,961 0.071,962 3,963 2,964 1.211,965 3.602,966 237.456,967 0.211,968 19,969 120.211,974 16.947,975 6.345,976 2.868,977 1.784,978 110.443,979 12.223,984 2.971,985 1.879,986 17.888,987 409.602,988 41,990 -0.423,993 34.607,996 4.089,997 0.434,999 40.036,1000 43.539,1001 0.341,1002 0.743,1003 0.862,1004 0.958,1005 0.958,1006 0.958,1007 4.997,1008 1.517,1009 5.883,1010 4.651,1011 4.466,1012 5.115,1013 2.766,1014 6.772,1015 4.392,1016 6.258,1017 1.318,1018 7.491,1019 4.359,1020 4.205,1021 5.139,1022 2.361,1023 7.825,1024 4.072,1025 7.608,1026 1,1027 9.198,1028 3.057,1029 6.129,1030 7.435,1031 4.197,1032 10.994,1033 5.997,1034 8.994,1035 0.921,1036 10.965,1037 2.424,1038 6.661,1039 8.265,1040 4.506,1041 12.921,1042 6.487,1043 10.411,1044 0.162,1045 12.771,1046 2.322,1047 8.11,1048 10.08,1049 5.954,1050 15.649,1051 7.928,1052 11.852,1054 14.606,1055 0.357,1056 9.012,1057 11.293,1058 6.556,1059 17.957,1060 8.798,1061 13.313,1062 -0.309,1063 16.464,1065 10.292,1066 12.932,1067 7.795,1068 20.552,1069 10.061,1070 3.439,1071 -0.623,1072 18.34,1073 -0.812,1074 11.37,1075 14.329,1076 8.548,1077 23.013,1078 11.109,1079 2.819,1080 12.827,1081 20.232,1082 -1.61,1083 12.597,1084 15.905,1085 9.67,1086 25.573,1087 12.313,1088 2.602,1089 8.609,1090 22.138,1091 4.791,1092 13.755,1093 17.389,1094 10.509,1095 28.091,1096 13.443,1097 2.466,1098 8.444,1099 24.054,1100 3.976,1101 14.971,1102 18.947,1103 11.563,1104 30.642,1105 14.634,1106 2.197,1107 8.173,1108 25.981,1109 3.514,1110 16.166,1111 20.472,1112 12.452,1113 33.182,1114 15.8,1115 2.123,1116 6.49,1117 27.915,1118 3.266,1119 17.384,1120 22.027,1121 13.468,1122 35.732,1123 16.992,1124 1.611,1125 5.937,1126 29.857,1127 3.065,1128 18.597,1129 23.57,1130 14.386,1131 38.279,1132 18.176,1133 6756,1134 13135,1135 19.016,1136 28.546,1137 44.975,1138 47.191,1139 46.696,1140 44.664,1141 44.352,1142 61.586,1143 9.792,1144 135.3,1145 42.546,1146 5.682,1147 5.781,1148 6.776,1149 5.447,1150 5.439,1151 7.791,1152 4.612,1153 20.355,1154 5.343,1155 14.394,1156 1.551,1157 1.627,1158 1.61,1159 1.54,1160 1.529,1161 2.124,1162 0.338,1163 4.666,1164 1.467,1165 4.185,1166 4.214,1167 6.88,1168 4.101,1169 7.815,1170 4.109,1171 3.968,1172 3.992,1173 4.141,1174 3.856,1175 7.429,1176 3.861,1177 3.643,1178 3.686,1179 3.929,1180 3.529,1181 6.999,1182 3.524,1183 3.525,1184 3.558,1185 3.532,1186 3.224,1187 4.941,1188 3.251,1189 3.322,1190 3.377,1191 3.476,1192 3.038,1193 4.681,1194 3.098,1195 3.15,1196 3.206,1197 3.19,1198 2.908,1199 4.612,1200 2.931,1201 2.962,1202 3.017,1203 3.013,1204 2.842,1205 4.158,1206 2.833,1207 2.86,1208 2.915,1209 2.827,1210 2.782,1211 3.767,1212 2.752,1213 0.167,1214 0.13,1215 0.249,1216 0.152,1217 0.119,1218 4.842,1219 0.165,1220 3.781,1221 0.09,1222 7.229,1223 0.442,1224 4.411,1225 0.115,1226 3.439,1227 4.791,1228 2.612,1229 12.827,1230 3.343,1231 1.966,1232 1.942,1233 2.053,1234 2.105,1235 1.228,1236 2.08,1237 1.915,1238 1.895,1239 1.975,1240 1.995,1241 1.147,1242 1.995,1243 1.727,1244 1.69,1245 1.819,1246 1.943,1247 0.935,1248 1.897,1249 1.349,1250 1.294,1251 1.565,1252 1.68,1253 0.703,1254 1.612,1255 1.186,1256 1.146,1257 1.366,1258 1.496,1259 0.467,1260 1.489,1261 1.069,1262 1.012,1263 1.262,1264 1.356,1265 0.213,1266 1.348,1267 0.927,1268 0.881,1269 1.137,1270 1.11,1271 0.181,1272 1.129,1273 0.854,1274 0.817,1275 0.993,1276 0.986,1277 0.14,1278 1.01,1279 4.078,1281 5.442,1282 2.398,1283 7.006,1284 4.949,1285 8.665,1286 7.261,1287 10.379,1288 3.472,1289 1.844,1295 0.343,1296 2.528,1305 27.889,1306 70.211,1307 153.218,1308 177.724,1309 197.376,1310 197.376,1311 197.376,1312 47.397,1313 7.741,1314 96.5,1315 96.5,1316 23,1317 12.851,1318 4.392,1319 3.7,1320 37.719,1321 81,1322 86,1323 0.229,1324 175.665,1325 301.07,1326 420.382,1327 22931,1328 2.6,1329 18.422,1330 0.709,1331 0.588,1332 19.422,1333 15.279,1334 12.452,1335 0.429,1336 0.298,1337 7.79,1338 11.342,1339 7.559,1340 6.23,1341 13.03,1342 8.648,1343 11.869,1344 0.276,1345 0.162,1346 12.685,1347 6.952,1348 9.964,1349 0.166,1350 0.081,1351 10.488,1352 4.883,1353 8.661,1354 0.101,1355 0.042,1356 9.1,1357 3.649,1358 7.765,1359 0.065,1360 0.023,1361 8.29,1362 2.739,1363 0.344,1364 87.008,1365 0.229,1366 24.309,1367 0.677,1368 144,1369 479.129,1370 224.451,1371 499.509,1372 663.88,1373 460,1374 175,1375 470.707,1376 218.792,1377 483.219,1378 706.61,1379 453,1380 5.387}
{0 CHEMBL2088662,1 1.647,2 9.36,3 3.836,4 14.711,5 99.332,6 10.349,7 0.571,8 3.766,9 3.865,10 3.623,11 3.438,12 4.988,13 3.417,14 4.257,15 4.391,16 4.061,17 3.85,18 5.416,19 3.814,20 4.494,21 4.64,22 4.163,23 4.004,24 5.692,25 3.943,26 4.584,27 4.765,28 4.118,29 3.995,30 5.71,31 3.925,32 4.579,33 4.775,34 4.156,35 3.959,36 5.711,37 3.879,38 4.543,39 4.724,40 4.199,41 3.923,42 5.744,43 3.83,44 4.457,45 4.667,46 4.014,47 3.769,48 5.632,49 3.631,50 4.123,51 4.35,52 3.574,53 3.45,54 5.223,55 3.314,56 0.057,57 0.54,58 3.103,59 2.826,60 7.998,61 3.226,62 0.136,63 0.874,64 8.052,65 5.06,66 14.829,67 5.865,68 0.264,69 1.096,70 18.603,71 7.029,72 28.291,73 7.8,74 0.228,75 1.22,76 17.836,77 7.665,78 30.841,79 8.686,80 0.279,81 1.17,82 18.311,83 7.957,84 40.185,85 9.095,86 0.282,87 1.082,88 17.565,89 8,90 47.828,91 8.75,92 0.376,93 0.975,94 42.218,95 9.027,96 49.406,97 9.555,98 0.182,99 0.715,100 18,101 5.945,102 28.928,103 7.004,104 18,105 41,106 0.288,107 0.682,108 0.777,109 0.848,110 0.848,111 0.848,112 3.269,113 0.914,114 -4.19,115 -4.14,116 -3.91,117 1,119 50,120 1,125 1,142 7,143 4,144 1,152 2,157 1,158 2,168 1,172 9,175 7,178 1,183 12,186 2,187 8,190 1,192 2,195 9,198 1,199 7,204 1,207 6,212 8,217 3,220 9,224 6,229 3,232 13,236 1,237 5,242 3,245 10,250 3,255 1,258 6,263 4,271 3,275 899,276 16.955,277 16.955,278 16.955,279 16.955,280 16.955,281 14.572,282 20.114,283 9.714,284 17.271,285 13.743,286 13.743,287 13.743,288 13.743,289 13.743,290 9.993,291 24.585,292 4.539,293 14.298,294 3.6,295 1.34,296 0.8,297 0.388,298 0.388,299 0.388,300 3.964,304 1,305 1,306 511,307 2.646,310 39.386,311 164.346,314 149.249,318 1.254,319 20.881,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52.75,331 234,332 4.842,333 4.057,334 7.229,335 4.411,336 3.438,337 4.79,338 2.035,339 12.827,340 3.343,341 4.106,342 3.714,343 6.049,344 3.661,345 2.67,346 3.694,347 0.98,348 8.482,349 2.649,350 4.007,351 3.212,352 6.002,353 3.57,354 2.6,355 3.513,356 0.782,357 8.343,358 2.521,359 3.82,360 2.898,361 5.472,362 3.378,363 2.415,364 3.193,365 0.522,366 7.236,367 2.328,368 3.606,369 2.848,370 5.159,371 3.136,372 2.161,373 2.842,375 6.283,376 2.116,377 3.511,378 2.608,379 5.029,380 3.01,381 2.092,382 2.814,384 5.924,385 1.807,386 3.114,387 2.288,388 4.73,389 2.573,390 1.6,391 2.303,393 4.641,394 1.554,395 2.974,396 1.844,397 4.582,398 2.446,399 1.491,400 1.972,402 4.354,403 1.365,404 2.861,405 1.769,406 3.787,407 2,408 1,409 1.5,411 2.505,412 1,413 2.5,414 1.046,415 3.414,416 1.93,417 0.955,418 1.309,420 2.275,421 0.919,422 2.345,423 1,424 3.121,425 1.521,426 0.568,427 1.044,428 0.965,429 0.537,430 1.481,431 0.963,432 2.799,433 1.2,434 0.162,435 0.193,436 0.356,437 0.166,438 1.397,439 0.518,440 2.758,441 0.953,447 1.03,448 0.236,449 2.578,450 0.535,451 -0.307,452 -0.386,454 -0.778,455 -0.187,456 0.898,457 -0.012,458 2.394,459 0.417,460 -0.557,461 -0.782,463 -1.321,464 -0.539,465 12.767,466 0.511,467 0.678,468 0.027,469 35.75,470 1.43,471 20,472 0.8,473 15.75,474 0.63,475 20.139,476 0.806,477 23.833,478 0.627,479 24.361,480 0.974,481 6.856,482 0.274,483 5.224,484 0.209,485 0.201,487 0.384,493 0.612,494 0.977,495 0.463,496 0.702,497 0.474,498 0.725,499 0.669,500 1.021,501 0.544,502 0.721,503 0.457,504 0.75,505 0.814,506 1.058,507 0.933,508 1.011,509 0.714,510 1.023,511 0.991,512 1.078,513 0.688,514 0.958,515 0.858,516 1.039,517 1.101,518 0.941,519 0.631,520 0.854,521 0.99,522 0.946,523 1.332,524 1.04,525 0.822,526 0.981,527 1.273,528 1.061,529 1.16,530 0.891,531 1.79,532 1.403,533 1.158,534 1.228,535 0.991,536 0.923,537 0.962,538 0.965,539 0.965,540 1.035,541 5,542 0.087,543 2.889,544 2.424,545 2.005,546 1.167,547 0.593,548 0.35,549 0.301,550 0.15,551 6444,552 21424,553 2.105,554 34.2,556 9,559 1,560 3,564 1.686,565 1.948,566 3.13,567 -0.317,569 1,573 62.605,574 1.647,575 3.908,576 4.448,577 4.86,578 4.86,579 4.86,580 2.603,581 4.214,582 4.61,583 3.276,584 982.805,585 8.01,586 11310.7,588 1,590 1,591 199.421,592 1.473,593 4.565,594 0.179,595 0.01,596 0.07,597 0.055,598 0.049,599 0.031,600 0.017,601 0.013,602 0.016,603 0.011,604 0.45,605 0.5,606 1,607 0.795,608 117.607,609 0.028,610 0.042,611 0.001,612 0.021,613 0.009,614 0.027,615 0.058,616 -0.015,617 0.031,618 0.074,619 0.048,620 0.082,621 0.077,622 -0.064,623 -0.093,624 -0.125,625 0.011,626 -0.149,627 -0.091,628 -0.071,629 -0.035,630 -0.095,631 -0.057,632 -0.119,633 -0.099,634 0.028,635 0.047,636 0.053,637 -0.048,638 0.03,639 -0.143,640 -0.117,641 0.035,642 -0.015,643 -0.128,644 -0.079,645 -0.023,646 0.012,647 -0.155,648 -0.19,649 -0.081,650 -0.115,651 -0.081,652 -0.013,653 0.01,654 0.08,655 -0.082,656 0.067,657 1.874,658 5.503,659 0.76,660 19.558,661 1.01,662 1.108,663 2.964,664 8.783,665 0.754,666 3.367,667 3.738,668 4.078,669 4.431,670 4.762,671 4.905,672 5.05,673 5.226,674 5.268,675 5.247,676 5.356,677 0.723,678 393.26,679 3.367,680 4.934,681 5.82,682 6.737,683 7.651,684 8.579,685 9.506,686 10.441,687 11.374,688 12.313,689 10.5,696 1,697 1,698 2,703 2,704 7,709 5,710 1,711 16,713 1,730 1,731 38,733 19,734 2,735 28,736 1,737 41,738 19,739 14,740 5,741 7,742 2,746 4,747 7,749 1,752 1,760 1,761 16,762 2,766 2,771 1,774 1,775 2,778 1,781 13,782 4,783 1,784 6,785 1,790 4,794 0.5,795 1,807 1,811 1,812 3,815 2,840 2,843 1,844 1,848 25,854 1,855 1,861 1,866 1,868 1,869 1,870 2.6,873 1,877 12.833,878 7.493,879 5.444,880 2.24,881 3.701,882 1.483,883 1.04,884 3.858,885 11.358,886 3.714,887 4.366,888 5.044,889 5.722,890 6.351,891 6.775,892 7.204,893 7.669,894 7.967,895 8.256,896 1,897 44,898 9.188,900 3.986,901 7.83,902 17.383,904 14.545,905 2.33,906 58.25,910 141.253,911 121.413,912 113.464,914 25.145,917 167.368,918 166.398,919 67.51,920 8.825,921 19.994,922 66.334,923 49.208,924 64.806,925 4.901,926 141.253,927 45.954,928 141.253,929 188.923,930 25.145,932 45.954,933 141.253,934 25.145,937 78.441,938 110.483,940 45.954,941 141.253,942 92.655,943 167.368,946 141.253,947 29.653,948 77.058,949 80.444,950 72.867,951 141.253,952 92.655,953 167.368,955 0.59,956 0.357,957 0.201,958 0.125,959 22,960 10,961 0.049,962 2,963 2,964 1.211,965 3.573,966 223.828,967 0.211,968 19,969 112.096,974 15.927,975 6.056,976 2.633,977 1.971,978 90.756,979 13.388,984 4.082,985 2.006,986 17.888,987 401.275,988 40,993 12.503,996 4.128,997 0.581,999 38.382,1000 42.12,1001 0.314,1002 0.745,1003 0.848,1004 0.926,1005 0.926,1006 0.926,1007 4.977,1008 1.491,1009 5.832,1010 4.641,1011 4.419,1012 5.053,1013 2.562,1014 6.715,1015 4.349,1016 6.232,1017 1,1018 7.433,1019 4.354,1020 4.111,1021 4.987,1023 7.763,1024 3.986,1025 7.574,1026 0.955,1027 9.135,1028 2.505,1029 6.075,1030 7.36,1031 3.638,1032 10.935,1033 5.955,1034 8.951,1035 0.568,1036 10.897,1037 2.275,1038 6.581,1039 8.138,1041 12.872,1042 6.421,1043 10.36,1044 0.162,1045 12.701,1046 0.965,1047 8.047,1048 9.994,1049 4.978,1050 15.606,1051 7.88,1052 11.795,1054 14.535,1055 0.356,1056 8.94,1057 11.186,1059 17.926,1060 8.74,1061 13.25,1062 -0.307,1063 16.394,1065 10.229,1066 12.846,1067 6.381,1068 20.528,1069 10.012,1070 3.438,1071 -0.557,1072 18.273,1073 -0.778,1074 11.307,1075 14.241,1077 22.997,1078 11.059,1079 2.67,1080 12.827,1081 20.169,1082 -1.321,1083 12.541,1084 15.831,1085 7.798,1086 25.56,1087 12.27,1088 2.6,1089 8.482,1090 22.079,1091 4.79,1092 13.704,1093 17.319,1095 28.083,1096 13.402,1097 2.415,1098 8.343,1099 24.001,1100 3.694,1101 14.926,1102 18.887,1103 9.218,1104 30.636,1105 14.597,1106 2.161,1107 7.236,1108 25.933,1109 3.513,1110 16.126,1111 20.417,1113 33.178,1114 15.768,1115 2.092,1116 6.283,1117 27.872,1118 3.193,1119 17.349,1120 21.98,1121 10.638,1122 35.729,1123 16.963,1124 1.6,1125 5.924,1126 29.819,1127 2.842,1128 18.567,1129 23.529,1131 38.277,1132 18.151,1133 6216,1134 11429,1135 18.611,1136 28.637,1137 44.05,1138 46.675,1139 44.718,1140 42.617,1141 42.305,1142 58.337,1143 8.637,1144 128.381,1145 40.609,1146 5.681,1147 6.057,1148 6.781,1149 5.447,1150 5.438,1151 7.79,1152 4.069,1153 20.355,1154 5.343,1155 12.582,1156 1.573,1157 1.667,1158 1.597,1159 1.522,1160 1.511,1161 2.083,1162 0.308,1163 4.585,1164 1.45,1165 4.183,1166 4.212,1167 6.88,1168 4.101,1169 7.429,1170 4.108,1171 3.906,1172 3.932,1173 4.139,1174 3.858,1175 6.82,1176 3.853,1177 3.643,1178 3.686,1179 3.85,1180 3.529,1181 4.941,1182 3.524,1183 3.397,1184 3.457,1185 3.529,1186 3.241,1187 4.679,1188 3.248,1189 3.207,1190 3.26,1191 3.288,1192 3.04,1193 4.612,1194 3.046,1195 3.086,1196 3.137,1197 3.121,1198 2.884,1199 4.153,1200 2.902,1201 2.911,1202 2.973,1203 2.956,1204 2.794,1205 3.762,1206 2.782,1207 2.854,1208 2.925,1209 2.777,1210 2.735,1211 3.674,1212 2.715,1213 0.173,1214 0.145,1215 0.258,1216 0.158,1217 0.123,1218 4.842,1219 0.171,1220 4.057,1221 0.073,1222 7.229,1223 0.458,1224 4.411,1225 0.119,1226 3.438,1227 4.79,1228 2.035,1229 12.827,1230 3.343,1231 1.963,1232 1.94,1233 2.05,1234 2.055,1235 1.225,1236 2.055,1237 1.911,1238 1.891,1239 1.974,1240 1.983,1241 1.144,1242 1.985,1243 1.726,1244 1.689,1245 1.818,1246 1.901,1247 0.931,1248 1.88,1249 1.348,1250 1.291,1251 1.562,1252 1.54,1253 0.699,1254 1.554,1255 1.153,1256 1.102,1257 1.364,1258 1.394,1259 0.464,1260 1.389,1261 0.956,1262 0.911,1263 1.181,1264 1.198,1265 0.218,1266 1.168,1267 0.927,1268 0.878,1269 1.137,1270 1.086,1271 0.173,1272 1.107,1273 0.886,1274 0.821,1275 1.056,1276 1.062,1277 0.14,1278 1.105,1279 4.043,1281 5.398,1282 2.398,1283 6.959,1284 4.949,1285 8.618,1286 7.261,1287 10.333,1288 3.507,1289 1.894,1295 0.542,1296 2.581,1303 8.949,1304 2.12,1305 27.46,1306 62.605,1307 148.509,1308 169.015,1309 184.666,1310 184.666,1311 184.666,1312 37.639,1313 7.657,1314 74.47,1315 74.47,1316 23,1317 12.811,1318 4.322,1319 3.7,1320 35.687,1321 77,1322 105,1323 0.228,1324 174.337,1325 298.15,1326 417.143,1327 20554,1328 2.6,1329 17.552,1330 0.702,1331 0.598,1332 18.552,1333 14.962,1334 12.08,1335 0.431,1336 0.305,1337 7.711,1338 11.175,1339 7.448,1340 6.152,1341 12.657,1342 8.533,1343 11.127,1344 0.271,1345 0.167,1346 11.944,1347 6.834,1348 9.741,1349 0.168,1350 0.084,1351 10.265,1352 4.844,1353 8.384,1354 0.101,1355 0.043,1356 8.823,1357 3.565,1358 7.532,1359 0.065,1360 0.023,1361 8.056,1362 2.72,1363 0.343,1364 83.227,1365 0.232,1366 23.627,1367 0.671,1368 138,1369 399.658,1370 212.968,1371 435.21,1372 587.96,1373 404,1374 168,1375 412.751,1376 206.639,1377 434.979,1378 637.12,1379 409,1380 5}
{0 CHEMBL2088663,1 1.647,2 8.64,3 3.836,4 14.711,5 99.332,6 10.349,7 0.571,8 3.766,9 3.865,10 3.623,11 3.438,12 4.988,13 3.417,14 4.257,15 4.391,16 4.061,17 3.85,18 5.416,19 3.814,20 4.494,21 4.64,22 4.163,23 4.004,24 5.69,25 3.943,26 4.584,27 4.765,28 4.132,29 4.002,30 5.704,31 3.936,32 4.582,33 4.766,34 4.178,35 3.975,36 5.746,37 3.899,38 4.579,39 4.77,40 4.215,41 3.94,42 5.803,43 3.851,44 4.445,45 4.642,46 4.06,47 3.806,48 5.627,49 3.683,50 4.162,51 4.375,52 3.675,53 3.498,54 5.409,55 3.386,56 0.057,57 0.54,58 3.103,59 2.826,60 7.998,61 3.226,62 0.136,63 0.874,64 8.052,65 5.06,66 14.836,67 5.865,68 0.264,69 1.096,70 18.603,71 7.029,72 28.221,73 7.8,74 0.231,75 1.22,76 18.245,77 7.681,78 31.528,79 8.719,80 0.25,81 1.175,82 16.519,83 7.814,84 37.063,85 8.882,86 0.35,87 1.148,88 19.339,89 8.177,90 58.017,91 8.863,92 0.335,93 0.947,94 41.559,95 8.915,96 43.834,97 9.44,98 0.154,99 0.758,100 17.18,101 5.938,102 28.47,103 6.983,104 18,105 41,106 0.288,107 0.682,108 0.795,109 0.885,110 0.885,111 0.885,112 3.269,113 0.914,114 -4.19,115 -4.14,116 -3.91,117 1,119 50,120 1,125 1,142 7,143 4,144 1,152 2,157 1,158 2,168 1,172 9,175 7,178 1,183 12,186 2,187 8,190 1,192 2,195 9,198 1,199 7,204 1,207 6,212 8,217 3,220 9,223 1,224 6,229 3,232 13,237 5,242 3,245 10,250 6,255 1,258 6,262 1,263 3,266 1,271 3,275 881,276 16.955,277 16.955,278 16.955,279 16.955,280 16.955,281 14.572,282 20.114,283 9.751,284 17.271,285 13.76,286 13.76,287 13.76,288 13.76,289 13.76,290 9.999,291 25.716,292 4.561,293 14.315,294 3.6,295 1.34,296 0.695,297 0.178,298 0.178,299 0.178,300 3.964,304 1,305 1,306 470,307 2.646,310 38.112,311 162.27,314 145.364,318 1.123,319 21.196,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52.75,331 216,332 4.842,333 4.058,334 7.229,335 4.411,336 3.439,337 4.791,338 2.035,339 12.827,340 3.343,341 4.137,342 3.714,343 6.05,344 3.696,345 2.704,346 3.729,347 0.98,348 8.493,349 2.684,350 4.007,351 3.212,352 6.004,353 3.571,354 2.6,355 3.513,356 0.782,357 8.37,358 2.521,359 3.804,360 2.905,361 5.571,362 3.365,363 2.404,364 3.182,365 0.522,366 7.533,367 2.311,368 3.558,369 2.851,370 5.112,371 3.087,372 2.148,373 2.815,375 6.052,376 2.038,377 3.507,378 2.624,379 4.949,380 2.97,381 2.015,382 2.717,384 5.761,385 1.796,386 3.116,387 2.218,388 4.715,389 2.572,390 1.599,391 2.302,393 4.617,394 1.553,395 2.968,396 1.823,397 4.58,398 2.448,399 1.492,400 1.984,402 4.346,403 1.369,404 2.849,405 1.768,406 3.786,407 2.212,408 1.216,409 1.786,411 2.695,412 1.211,413 2.614,414 1.248,415 3.493,416 1.897,417 0.922,418 1.262,420 2.406,421 0.885,422 2.337,423 1.03,424 3.079,425 1.375,426 0.43,427 0.875,428 0.626,429 0.405,430 1.475,431 0.932,432 2.774,433 1.2,434 0.162,435 0.193,436 0.357,437 0.166,438 1.3,439 0.364,440 2.719,441 0.963,447 1.024,448 0.126,449 2.648,450 0.535,451 -0.309,452 -0.388,454 -0.811,455 -0.191,456 0.837,457 -0.05,458 2.428,459 0.351,460 -0.632,461 -0.84,463 -1.48,464 -0.613,465 12.767,466 0.511,467 0.678,468 0.027,469 35.75,470 1.43,471 20,472 0.8,473 15.75,474 0.63,475 20.223,476 0.809,477 23.833,478 0.627,479 24.539,480 0.982,481 6.856,482 0.274,483 5.224,484 0.209,485 0.201,487 0.384,493 0.612,494 0.977,495 0.463,496 0.702,497 0.474,498 0.725,499 0.669,500 1.021,501 0.544,502 0.721,503 0.456,504 0.75,505 0.814,506 1.058,507 0.933,508 1.011,509 0.72,510 1.023,511 0.986,512 1.044,513 0.681,514 0.921,515 0.854,516 0.992,517 1.08,518 1.069,519 0.636,520 0.935,521 0.985,522 1.023,523 1.378,524 0.883,525 0.802,526 0.874,527 1.467,528 0.971,529 1.134,530 0.933,531 1.79,532 1.387,533 1.072,534 1.171,535 0.954,536 1.116,537 0.926,538 1.037,539 1.003,540 1.06,541 5,542 0.054,543 2.667,544 2.674,545 1.925,546 1.112,547 0.555,548 0.431,549 0.269,550 0.137,551 6284,552 20744,553 2.105,554 34.2,556 9,559 1,560 3,564 1.688,565 1.948,566 3.069,567 -0.317,569 1,573 62.605,574 1.647,575 3.908,576 4.553,577 5.07,578 5.07,579 5.07,580 2.423,581 4.404,582 4.614,583 3.189,584 956.735,585 8.025,586 11059,588 1,590 1,591 199.421,592 1.473,593 4.565,594 0.179,595 0.011,596 0.065,597 0.061,598 0.046,599 0.029,600 0.015,601 0.015,602 0.012,603 0.011,604 0.442,605 0.5,606 1,607 0.795,608 117.051,609 0.028,610 0.042,611 0.001,612 0.021,613 0.009,614 0.027,615 0.058,616 -0.015,617 0.031,618 0.074,619 0.049,620 0.082,621 0.077,622 -0.064,623 -0.093,624 -0.125,625 0.005,626 -0.149,627 -0.087,628 -0.036,629 -0.027,630 -0.057,631 -0.053,632 -0.071,633 -0.09,634 -0.101,635 0.031,636 -0.045,637 -0.049,638 -0.073,639 -0.151,640 0.075,641 0.041,642 0.088,643 -0.173,644 0.013,645 -0.033,646 -0.046,647 -0.149,648 -0.177,649 -0.057,650 -0.07,651 -0.034,652 -0.184,653 0.009,654 -0.028,655 0.027,656 -0.002,657 1.885,658 5.517,659 0.76,660 18.49,661 1.01,662 1.108,663 2.964,664 8.783,665 0.754,666 3.367,667 3.738,668 4.078,669 4.443,670 4.762,671 4.905,672 5.063,673 5.236,674 5.268,675 5.242,676 5.175,677 0.723,678 393.26,679 3.367,680 4.934,681 5.82,682 6.739,683 7.653,684 8.584,685 9.51,686 10.446,687 11.379,688 12.32,689 10.5,696 1,697 1,698 2,703 2,704 7,709 5,710 1,711 16,713 1,730 1,731 38,733 19,734 2,735 28,736 1,737 41,738 19,739 14,740 5,741 7,742 2,746 4,747 7,749 1,752 1,760 1,761 16,762 2,766 2,771 1,774 1,775 2,778 1,781 13,782 4,783 1,784 6,785 1,790 4,794 0.5,795 1,807 1,811 1,812 3,815 2,840 2,843 1,844 1,848 25,854 1,855 1,861 1,866 1,868 1,869 1,870 2.6,873 1,877 12.833,878 7.493,879 5.444,880 2.24,881 3.729,882 1.487,883 1.04,884 3.858,885 11.386,886 3.714,887 4.366,888 5.044,889 5.729,890 6.355,891 6.766,892 7.217,893 7.676,894 7.968,895 8.245,896 0.833,897 44,898 9.192,900 3.992,901 7.83,902 17.383,904 14.545,905 2.33,906 58.25,910 141.253,911 121.413,912 113.464,914 25.145,917 167.368,918 166.398,919 67.51,920 8.825,921 19.994,922 66.334,923 49.208,924 64.806,925 4.901,926 141.253,927 45.954,928 141.253,929 188.923,930 25.145,932 45.954,933 141.253,934 25.145,937 78.441,938 110.483,940 45.954,941 141.253,942 92.655,943 167.368,946 141.253,947 29.653,948 77.058,949 80.444,950 72.867,951 141.253,952 92.655,953 167.368,955 0.588,956 0.356,957 0.206,958 0.126,959 22,960 10,961 0.049,962 2,963 2,964 1.211,965 3.548,966 225.176,967 0.211,968 19,969 116.096,974 15.927,975 6.056,976 2.633,977 1.944,978 90.756,979 13.391,984 3.979,985 1.987,986 17.888,987 401.275,988 40,993 12.517,996 4.125,997 0.562,999 38.382,1000 42.12,1001 0.314,1002 0.745,1003 0.868,1004 0.966,1005 0.966,1006 0.966,1007 4.977,1008 1.492,1009 5.832,1010 4.617,1011 4.419,1012 5.053,1013 2.562,1014 6.718,1015 4.349,1016 6.232,1017 1.216,1018 7.433,1019 4.346,1020 4.111,1021 4.987,1023 7.763,1024 3.986,1025 7.574,1026 0.922,1027 9.135,1028 2.695,1029 6.075,1030 7.36,1031 3.638,1032 10.942,1033 5.955,1034 8.951,1035 0.43,1036 10.898,1037 2.406,1038 6.581,1039 8.138,1041 12.876,1042 6.421,1043 10.36,1044 0.162,1045 12.702,1046 0.626,1047 8.049,1048 9.996,1049 4.978,1050 15.613,1051 7.882,1052 11.795,1054 14.537,1055 0.357,1056 8.944,1057 11.188,1059 17.93,1060 8.744,1061 13.252,1062 -0.309,1063 16.397,1065 10.234,1066 12.85,1067 6.381,1068 20.532,1069 10.018,1070 3.439,1071 -0.632,1072 18.276,1073 -0.811,1074 11.313,1075 14.245,1077 22.999,1078 11.066,1079 2.704,1080 12.827,1081 20.173,1082 -1.48,1083 12.547,1084 15.835,1085 7.798,1086 25.562,1087 12.277,1088 2.6,1089 8.493,1090 22.083,1091 4.791,1092 13.71,1093 17.323,1095 28.084,1096 13.41,1097 2.404,1098 8.37,1099 24.004,1100 3.729,1101 14.932,1102 18.891,1103 9.218,1104 30.637,1105 14.605,1106 2.148,1107 7.533,1108 25.936,1109 3.513,1110 16.131,1111 20.421,1113 33.178,1114 15.775,1115 2.015,1116 6.052,1117 27.876,1118 3.182,1119 17.354,1120 21.983,1121 10.638,1122 35.73,1123 16.97,1124 1.599,1125 5.761,1126 29.822,1127 2.815,1128 18.571,1129 23.532,1131 38.277,1132 18.157,1133 6068,1134 11123,1135 18.611,1136 28.637,1137 44.142,1138 46.749,1139 44.706,1140 42.553,1141 42.261,1142 58.302,1143 8.637,1144 128.167,1145 40.565,1146 5.682,1147 6.058,1148 6.821,1149 5.447,1150 5.439,1151 7.791,1152 4.069,1153 20.355,1154 5.343,1155 12.479,1156 1.576,1157 1.67,1158 1.597,1159 1.52,1160 1.509,1161 2.082,1162 0.308,1163 4.577,1164 1.449,1165 4.183,1166 4.212,1167 6.88,1168 4.101,1169 7.429,1170 4.108,1171 3.907,1172 3.932,1173 4.139,1174 3.858,1175 6.82,1176 3.853,1177 3.643,1178 3.686,1179 3.851,1180 3.529,1181 4.941,1182 3.524,1183 3.384,1184 3.446,1185 3.529,1186 3.224,1187 4.681,1188 3.229,1189 3.201,1190 3.254,1191 3.264,1192 3.037,1193 4.612,1194 3.048,1195 3.12,1196 3.176,1197 3.126,1198 2.907,1199 4.158,1200 2.925,1201 2.959,1202 3.015,1203 2.995,1204 2.842,1205 3.767,1206 2.831,1207 2.86,1208 2.915,1209 2.824,1210 2.782,1211 3.677,1212 2.752,1213 0.173,1214 0.145,1215 0.258,1216 0.158,1217 0.123,1218 4.842,1219 0.171,1220 4.058,1221 0.073,1222 7.229,1223 0.458,1224 4.411,1225 0.119,1226 3.439,1227 4.791,1228 2.035,1229 12.827,1230 3.343,1231 1.964,1232 1.94,1233 2.05,1234 2.055,1235 1.225,1236 2.055,1237 1.911,1238 1.891,1239 1.974,1240 1.983,1241 1.144,1242 1.985,1243 1.725,1244 1.688,1245 1.818,1246 1.9,1247 0.931,1248 1.88,1249 1.338,1250 1.278,1251 1.562,1252 1.535,1253 0.699,1254 1.551,1255 1.144,1256 1.094,1257 1.36,1258 1.386,1259 0.465,1260 1.381,1261 1.049,1262 0.993,1263 1.222,1264 1.26,1265 0.192,1266 1.246,1267 0.927,1268 0.881,1269 1.137,1270 1.109,1271 0.175,1272 1.129,1273 0.854,1274 0.817,1275 0.989,1276 0.983,1277 0.14,1278 1.006,1279 4.043,1281 5.398,1282 2.398,1283 6.959,1284 4.949,1285 8.62,1286 7.261,1287 10.336,1288 3.505,1289 1.888,1295 0.504,1296 2.576,1303 9.117,1304 2.156,1305 27.46,1306 62.605,1307 148.509,1308 173.015,1309 192.666,1310 192.666,1311 192.666,1312 38.054,1313 7.657,1314 74.47,1315 74.47,1316 23,1317 12.816,1318 4.322,1319 3.7,1320 35.587,1321 75,1322 90,1323 0.234,1324 174.337,1325 298.15,1326 417.143,1327 20554,1328 2.6,1329 17.552,1330 0.702,1331 0.598,1332 18.552,1333 14.962,1334 12.08,1335 0.431,1336 0.305,1337 7.711,1338 11.175,1339 7.447,1340 6.153,1341 12.657,1342 8.533,1343 11.139,1344 0.272,1345 0.167,1346 11.956,1347 6.837,1348 9.666,1349 0.167,1350 0.083,1351 10.191,1352 4.818,1353 8.496,1354 0.101,1355 0.043,1356 8.935,1357 3.62,1358 7.568,1359 0.065,1360 0.023,1361 8.092,1362 2.707,1363 0.35,1364 83.227,1365 0.232,1366 23.479,1367 0.7,1368 138,1369 399.658,1370 212.968,1371 435.275,1372 587.98,1373 404,1374 168,1375 412.751,1376 206.639,1377 435.114,1378 637.36,1379 409,1380 6.53}
{0 CHEMBL2088664,1 1.663,2 9.36,3 3.94,4 15.525,5 100.058,6 9.714,7 0.571,8 3.84,9 3.941,10 3.643,11 3.452,12 4.986,13 3.432,14 4.351,15 4.495,16 4.076,17 3.855,18 5.463,19 3.823,20 4.535,21 4.678,22 4.173,23 4.011,24 5.675,25 3.954,26 4.643,27 4.82,28 4.127,29 4.037,30 5.682,31 3.959,32 4.685,33 4.895,34 4.166,35 4.019,36 5.727,37 3.921,38 4.635,39 4.832,40 4.207,41 3.955,42 5.773,43 3.853,44 4.492,45 4.695,46 4.027,47 3.782,48 5.603,49 3.645,50 4.267,51 4.512,52 3.611,53 3.455,54 5.253,55 3.327,56 0.061,57 0.581,58 4.882,59 3.494,60 6.083,61 4.096,62 0.214,63 0.941,64 12.682,65 6.098,66 18.132,67 7.089,68 0.306,69 1.127,70 21.432,71 7.751,72 27.326,73 8.81,74 0.247,75 1.259,76 20.918,77 8.633,78 19.868,79 10.297,80 0.284,81 1.266,82 24.111,83 9.433,84 32.492,85 11.788,86 0.39,87 1.157,88 24.265,89 9.13,90 46.783,91 10.685,92 0.337,93 0.973,94 42.687,95 9.227,96 41.126,97 10.292,98 0.243,99 0.79,100 22.718,101 6.75,102 28.336,103 8.136,104 18,105 41,106 0.289,107 0.663,108 0.782,109 0.848,110 0.848,111 0.848,112 3.269,113 0.929,114 -4.27,115 -4.21,116 -3.97,117 1,119 46.3,120 1,124 1,125 1,142 7,143 3,144 2,152 2,157 1,158 1,168 1,172 7,175 8,178 1,183 10,186 2,187 8,190 1,192 2,195 8,198 1,199 6,204 1,207 6,212 6,217 3,220 9,223 1,224 6,229 3,232 13,237 5,242 3,245 7,250 5,258 4,262 1,263 2,266 1,271 2,275 899,276 16.955,277 16.955,278 16.955,279 16.955,280 16.955,281 14.663,282 21.102,283 9.714,284 17.44,285 13.743,286 13.743,287 13.743,288 13.743,289 13.743,290 10.177,291 26.892,292 4.539,293 14.467,294 3.694,295 1.544,296 0.858,297 0.476,298 0.476,299 0.476,300 3.964,304 1,305 1,306 511,307 2.646,310 39.386,311 164.347,314 149.249,318 1.254,319 18.816,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 53.25,331 234,332 4.842,333 3.714,334 7.229,335 4.411,336 3.438,337 4.79,338 0.98,339 12.827,340 3.343,341 4.047,342 3.213,343 6.049,344 3.646,345 2.67,346 3.642,347 0.86,348 8.482,349 2.606,350 4.006,351 2.939,352 6.002,353 3.569,354 2.6,355 3.513,356 0.782,357 8.343,358 2.519,359 3.786,360 2.861,361 5.472,362 3.364,363 2.415,364 3.18,365 0.522,366 7.236,367 2.296,368 3.522,369 2.765,370 5.159,371 3.115,372 2.161,373 2.815,375 6.283,376 2.046,377 3.442,378 2.473,379 5.029,380 3.001,381 2.092,382 2.731,384 5.924,385 1.8,386 3.102,387 1.867,388 4.73,389 2.573,390 1.6,391 2.301,393 4.641,394 1.553,395 2.887,396 1.769,397 4.582,398 2.444,399 1.491,400 1.967,402 4.354,403 1.363,404 2.5,405 1.182,406 3.787,407 2,408 1,409 1.5,411 2.505,412 1,413 2.352,414 1.024,415 3.414,416 1.926,417 0.955,418 1.283,420 2.275,421 0.915,422 1.741,423 1,424 3.121,425 1.449,426 0.568,427 0.642,428 0.965,429 0.493,430 1.473,431 0.926,432 2.799,433 1.2,434 0.162,435 0.193,436 0.356,437 0.166,438 1.251,439 0.403,440 2.758,441 0.936,447 1.024,448 0.174,449 2.578,450 0.535,451 -0.307,452 -0.384,454 -0.778,455 -0.187,456 0.795,457 -0.063,458 2.394,459 0.4,460 -0.557,461 -0.693,463 -1.321,464 -0.526,465 12.7,466 0.508,467 0.678,468 0.027,469 33.5,470 1.34,471 17.5,472 0.7,473 16,474 0.64,475 21.285,476 0.851,477 25.1,478 0.612,479 23.216,480 0.929,481 6.626,482 0.265,483 5.454,484 0.218,485 0.21,487 0.386,493 0.707,494 1.093,495 0.475,496 0.798,497 0.577,498 0.801,499 0.962,500 1.005,501 0.548,502 0.673,503 0.618,504 0.698,505 0.92,506 1.076,507 0.956,508 0.986,509 0.876,510 0.991,511 0.906,512 1.131,513 0.697,514 0.974,515 0.849,516 1.058,517 0.801,518 1.002,519 0.599,520 0.867,521 0.992,522 0.946,523 1.135,524 0.965,525 0.793,526 0.876,527 1.593,528 0.958,529 1.01,530 1.091,531 1.802,532 1.448,533 1.27,534 1.245,535 1.102,536 0.876,537 0.894,538 0.888,539 1.025,540 0.917,541 5,542 0.087,543 2.889,544 2.424,545 2.005,546 1.167,547 0.593,548 0.35,549 0.301,550 0.15,551 6444,552 19816,553 2.105,554 39,556 12,559 1,560 3,564 1.686,565 1.948,566 3.13,567 -0.317,569 1,573 68.194,574 1.663,575 3.814,576 4.5,577 4.882,578 4.882,579 4.882,580 2.603,581 4.214,582 4.61,583 3.276,584 982.805,585 8.01,586 11310.7,588 1,590 1,591 219.66,592 1.473,593 4.565,594 0.179,595 0.01,596 0.07,597 0.055,598 0.049,599 0.031,600 0.017,601 0.013,602 0.016,603 0.011,604 0.45,605 0.5,606 1,607 0.795,608 117.607,609 0.016,610 -0.01,611 0.004,612 -0.014,613 -0.044,614 0.011,615 -0.039,616 0.051,617 0.041,618 0.161,619 0.041,620 0.167,621 0.005,622 -0.027,623 -0.094,624 -0.084,625 -0.005,626 -0.114,627 -0.09,628 -0.098,629 -0.045,630 -0.113,631 -0.066,632 -0.148,633 -0.019,634 -0.017,635 0.061,636 0.028,637 0.011,638 0.03,639 -0.066,640 -0.005,641 0.054,642 0.073,643 -0.112,644 0.013,645 -0.027,646 -0.169,647 -0.149,648 -0.277,649 -0.042,650 -0.194,651 -0.079,652 0.067,653 0.036,654 0.102,655 -0.062,656 0.123,657 1.846,658 5.526,659 0.76,660 19.558,661 1.009,662 1.114,663 3.038,664 9.227,665 0.722,666 3.367,667 3.738,668 4.078,669 4.431,670 4.762,671 4.905,672 5.05,673 5.226,674 5.268,675 5.247,676 5.356,677 0.688,678 398.28,679 3.367,680 4.934,681 5.82,682 6.737,683 7.651,684 8.579,685 9.506,686 10.441,687 11.374,688 12.313,689 7.3,696 1,697 1,698 1,703 2,704 7,709 5,710 1,711 16,729 1,730 1,731 41,733 18,734 2,735 28,736 1,737 44,738 19,739 14,740 5,741 7,742 2,746 4,747 7,749 1,752 1,761 16,762 3,766 2,771 1,774 1,775 2,778 1,781 16,782 4,783 1,784 6,785 1,790 3,794 0.5,795 2,807 1,811 1,812 3,815 2,840 2,843 1,844 2,848 25,854 1,855 1,856 1,869 1,870 4.9,873 1,875 1,877 12.833,878 8.21,879 5.444,880 2.336,881 3.507,882 1.458,883 1.028,884 4.138,885 11.164,886 3.664,887 4.341,888 5.005,889 5.692,890 6.327,891 6.736,892 7.17,893 7.649,894 7.928,895 8.182,896 1,897 44,898 9.209,900 3.952,901 7.71,902 17.584,904 14.589,905 2.21,906 55.25,909 1,910 176.567,911 117.753,912 82.404,914 36.145,917 163.707,918 212.711,919 36.45,920 19.708,921 19.994,922 66.334,923 32.606,924 46.805,925 4.901,926 176.567,927 45.954,928 176.567,929 154.203,930 36.145,932 45.954,933 176.567,934 36.145,937 47.381,938 106.822,940 45.954,941 176.567,942 72.595,943 163.707,946 176.567,947 31.711,948 87.941,949 63.842,950 52.808,951 176.567,952 72.595,953 163.707,955 0.59,956 0.357,957 0.201,958 0.125,959 22,960 10,961 0.068,962 3,963 2,964 1.211,965 3.573,966 223.828,967 0.211,968 19,969 112.096,974 16.369,975 6.32,976 2.774,977 2.032,978 70.696,979 13.934,984 4.428,985 2.048,986 17.888,987 412.868,988 38,993 12.526,996 4.147,997 0.632,999 41.374,1000 45.662,1001 0.31,1002 0.712,1003 0.84,1004 0.911,1005 0.911,1006 0.911,1007 4.92,1008 1.491,1009 5.832,1010 4.641,1011 4.419,1012 5.027,1013 1.819,1014 6.715,1015 4.332,1016 6.168,1017 1,1018 7.433,1019 4.354,1020 4.111,1021 4.987,1023 7.763,1024 3.964,1025 7.51,1026 0.955,1027 9.135,1028 2.505,1029 6.075,1030 7.334,1031 1.576,1032 10.935,1033 5.929,1034 8.891,1035 0.568,1036 10.897,1037 2.275,1038 6.581,1039 8.125,1041 12.872,1042 6.393,1043 10.304,1044 0.162,1045 12.701,1046 0.965,1047 8.047,1048 9.973,1049 1.405,1050 15.606,1051 7.852,1052 11.743,1054 14.535,1055 0.356,1056 8.94,1057 11.171,1059 17.926,1060 8.714,1061 13.203,1062 -0.307,1063 16.394,1065 10.229,1066 12.83,1067 1.278,1068 20.528,1069 9.988,1070 3.438,1071 -0.557,1072 18.273,1073 -0.778,1074 11.307,1075 14.229,1077 22.997,1078 11.038,1079 2.67,1080 12.827,1081 20.169,1082 -1.321,1083 12.541,1084 15.819,1085 1.178,1086 25.56,1087 12.252,1088 2.6,1089 8.482,1090 22.079,1091 4.79,1092 13.704,1093 17.31,1095 28.083,1096 13.386,1097 2.415,1098 8.343,1099 24.001,1100 3.642,1101 14.926,1102 18.879,1103 1.098,1104 30.636,1105 14.584,1106 2.161,1107 7.236,1108 25.933,1109 3.513,1110 16.126,1111 20.411,1113 33.178,1114 15.757,1115 2.092,1116 6.283,1117 27.872,1118 3.18,1119 17.349,1120 21.975,1121 1.033,1122 35.729,1123 16.954,1124 1.6,1125 5.924,1126 29.819,1127 2.815,1128 18.567,1129 23.525,1131 38.277,1132 18.144,1133 6216,1134 11013,1135 18.611,1136 29.608,1137 42.826,1138 44.23,1139 44.718,1140 42.595,1141 42.305,1142 57.115,1143 6.287,1144 128.381,1145 40.202,1146 5.682,1147 5.714,1148 6.781,1149 5.447,1150 5.438,1151 7.79,1152 1.96,1153 20.355,1154 5.343,1155 12.582,1156 1.53,1157 1.58,1158 1.597,1159 1.521,1160 1.511,1161 2.04,1162 0.225,1163 4.585,1164 1.436,1165 4.183,1166 4.211,1167 6.88,1168 4.1,1169 7.429,1170 4.108,1171 3.894,1172 3.916,1173 4.138,1174 3.831,1175 4.951,1176 3.827,1177 3.643,1178 3.686,1179 3.831,1180 3.528,1181 4.845,1182 3.524,1183 3.392,1184 3.45,1185 3.529,1186 3.209,1187 4.615,1188 3.214,1189 3.235,1190 3.298,1191 3.25,1192 2.997,1193 4.383,1194 3.005,1195 3.128,1196 3.192,1197 3.092,1198 2.887,1199 4.127,1200 2.902,1201 2.94,1202 3.001,1203 2.949,1204 2.805,1205 3.759,1206 2.795,1207 2.854,1208 2.925,1209 2.789,1210 2.747,1211 3.674,1212 2.715,1213 0.173,1214 0.133,1215 0.258,1216 0.158,1217 0.123,1218 4.842,1219 0.171,1220 3.714,1221 0.035,1222 7.229,1223 0.458,1224 4.411,1225 0.119,1226 3.438,1227 4.79,1228 0.98,1229 12.827,1230 3.343,1231 1.957,1232 1.936,1233 2.042,1234 2.053,1235 1.223,1236 2.052,1237 1.899,1238 1.878,1239 1.972,1240 1.983,1241 1.142,1242 1.983,1243 1.719,1244 1.684,1245 1.816,1246 1.9,1247 0.928,1248 1.878,1249 1.335,1250 1.276,1251 1.598,1252 1.57,1253 0.701,1254 1.581,1255 1.189,1256 1.121,1257 1.522,1258 1.469,1259 0.567,1260 1.492,1261 1.057,1262 0.985,1263 1.331,1264 1.344,1265 0.453,1266 1.345,1267 0.927,1268 0.88,1269 1.181,1270 1.104,1271 0.218,1272 1.125,1273 0.886,1274 0.821,1275 1.137,1276 1.062,1277 0.166,1278 1.107,1279 4.043,1281 5.398,1282 2.398,1283 6.959,1284 4.949,1285 8.618,1286 7.261,1287 10.333,1288 3.524,1289 3.561,1295 0.595,1296 2.604,1297 5.218,1305 28.207,1306 68.194,1307 156.357,1308 184.498,1309 200.15,1310 200.15,1311 200.15,1312 35.073,1313 7.657,1314 59.91,1315 59.91,1316 23,1317 12.811,1318 4.248,1319 3.459,1320 35.687,1321 77,1322 105,1323 0.228,1324 177.394,1325 301.22,1326 424.601,1327 20554,1328 2.4,1329 17.552,1330 0.702,1331 0.617,1332 18.552,1333 15.423,1334 12.08,1335 0.431,1336 0.31,1337 7.816,1338 11.061,1339 7.517,1340 6.229,1341 12.657,1342 8.672,1343 11.127,1344 0.271,1345 0.168,1346 11.944,1347 6.873,1348 9.741,1349 0.168,1350 0.085,1351 10.265,1352 4.92,1353 8.384,1354 0.101,1355 0.044,1356 8.823,1357 3.612,1358 7.532,1359 0.065,1360 0.024,1361 8.056,1362 2.731,1363 0.343,1364 83.988,1365 0.232,1366 23.627,1367 0.671,1368 138,1369 403.749,1370 215.153,1371 427.597,1372 581.64,1373 400,1374 168,1375 409.888,1376 208.63,1377 429.611,1378 631.84,1379 403,1380 5.284}
{0 CHEMBL2088665,1 1.663,2 8.64,3 3.94,4 15.525,5 100.058,6 9.714,7 0.571,8 3.84,9 3.941,10 3.643,11 3.452,12 4.986,13 3.432,14 4.351,15 4.495,16 4.076,17 3.855,18 5.463,19 3.823,20 4.535,21 4.678,22 4.173,23 4.011,24 5.672,25 3.954,26 4.643,27 4.82,28 4.145,29 4.038,30 5.683,31 3.965,32 4.696,33 4.894,34 4.188,35 4.031,36 5.758,37 3.94,38 4.661,39 4.857,40 4.229,41 3.983,42 5.793,43 3.884,44 4.579,45 4.803,46 4.083,47 3.819,48 5.657,49 3.697,50 4.267,51 4.466,52 3.717,53 3.538,54 5.401,55 3.426,56 0.061,57 0.581,58 4.882,59 3.494,60 6.083,61 4.096,62 0.214,63 0.941,64 12.682,65 6.098,66 18.168,67 7.089,68 0.306,69 1.127,70 21.432,71 7.751,72 27.189,73 8.81,74 0.233,75 1.259,76 21.025,77 8.637,78 19.074,79 10.341,80 0.37,81 1.269,82 23.537,83 9.353,84 34.585,85 11.343,86 0.315,87 1.202,88 23.839,89 9.316,90 44.988,91 10.981,92 0.409,93 1.055,94 47.426,95 9.987,96 44.687,97 11.266,98 0.321,99 0.778,100 19.408,101 6.643,102 32.619,103 7.872,104 18,105 41,106 0.289,107 0.663,108 0.799,109 0.882,110 0.882,111 0.882,112 3.269,113 0.929,114 -4.27,115 -4.21,116 -3.97,117 1,119 46.3,120 1,124 1,125 1,142 7,143 3,144 2,152 2,157 1,158 1,168 1,172 7,175 8,178 1,183 10,186 2,187 8,190 1,192 2,195 8,198 1,199 5,204 1,207 6,211 1,212 7,217 3,220 9,224 6,229 3,232 10,237 7,242 2,245 8,249 1,250 4,253 1,255 1,258 5,262 1,263 2,271 2,275 881,276 16.955,277 16.955,278 16.955,279 16.955,280 16.955,281 14.663,282 21.102,283 9.751,284 17.44,285 13.76,286 13.76,287 13.76,288 13.76,289 13.76,290 10.183,291 28.2,292 4.561,293 14.482,294 3.694,295 1.544,296 0.76,297 0.281,298 0.281,299 0.281,300 3.964,304 1,305 1,306 470,307 2.646,310 38.112,311 162.27,314 145.364,318 1.123,319 19.034,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 53.25,331 216,332 4.842,333 3.714,334 7.229,335 4.411,336 3.439,337 4.791,338 0.98,339 12.827,340 3.343,341 4.077,342 3.213,343 6.05,344 3.678,345 2.704,346 3.676,347 0.86,348 8.493,349 2.634,350 4.006,351 2.974,352 6.004,353 3.57,354 2.6,355 3.513,356 0.782,357 8.37,358 2.52,359 3.78,360 2.862,361 5.571,362 3.355,363 2.404,364 3.173,365 0.522,366 7.533,367 2.291,368 3.518,369 2.747,370 5.112,371 3.075,372 2.148,373 2.815,375 6.052,376 1.97,377 3.346,378 2.415,379 4.949,380 2.948,381 2.015,382 2.594,384 5.761,385 1.781,386 3.098,387 1.859,388 4.715,389 2.571,390 1.599,391 2.298,393 4.617,394 1.551,395 2.889,396 1.769,397 4.58,398 2.445,399 1.492,400 1.973,402 4.346,403 1.366,404 2.676,405 1.337,406 3.786,407 2.205,408 1.216,409 1.753,411 2.695,412 1.2,413 2.338,414 1.03,415 3.493,416 1.896,417 0.922,418 1.261,420 2.406,421 0.885,422 1.584,423 0.941,424 3.079,425 1.295,426 0.43,427 0.482,428 0.626,429 0.368,430 1.475,431 0.927,432 2.774,433 1.2,434 0.162,435 0.193,436 0.357,437 0.166,438 1.299,439 0.362,440 2.719,441 0.963,447 1.024,448 0.126,449 2.648,450 0.535,451 -0.309,452 -0.388,454 -0.811,455 -0.191,456 0.767,457 -0.094,458 2.428,459 0.345,460 -0.632,461 -0.817,463 -1.48,464 -0.606,465 12.7,466 0.508,467 0.678,468 0.027,469 33.5,470 1.34,471 17.5,472 0.7,473 16,474 0.64,475 21.433,476 0.857,477 25.1,478 0.612,479 23.329,480 0.933,481 6.626,482 0.265,483 5.454,484 0.218,485 0.21,487 0.386,493 0.707,494 1.093,495 0.475,496 0.798,497 0.577,498 0.801,499 0.962,500 1.005,501 0.548,502 0.673,503 0.617,504 0.698,505 0.92,506 1.076,507 0.956,508 0.986,509 0.888,510 0.991,511 0.882,512 1.132,513 0.687,514 0.97,515 0.825,516 1.032,517 0.962,518 0.985,519 0.614,520 0.854,521 1.054,522 0.957,523 1.089,524 1.07,525 0.777,526 0.948,527 1.535,528 1.015,529 1.1,530 0.883,531 1.64,532 1.23,533 1.203,534 1.019,535 0.926,536 1.025,537 0.915,538 1.04,539 0.854,540 1.085,541 5,542 0.054,543 2.667,544 2.674,545 1.925,546 1.112,547 0.555,548 0.431,549 0.269,550 0.137,551 6284,552 19272,553 2.105,554 39,556 12,559 1,560 3,564 1.688,565 1.948,566 3.069,567 -0.317,569 1,573 68.194,574 1.663,575 3.814,576 4.598,577 5.077,578 5.077,579 5.077,580 2.423,581 4.404,582 4.614,583 3.189,584 956.735,585 8.025,586 11059,588 1,590 1,591 219.66,592 1.473,593 4.565,594 0.179,595 0.011,596 0.065,597 0.061,598 0.046,599 0.029,600 0.015,601 0.015,602 0.012,603 0.011,604 0.442,605 0.5,606 1,607 0.795,608 117.051,609 0.016,610 -0.01,611 0.004,612 -0.014,613 -0.044,614 0.011,615 -0.039,616 0.051,617 0.041,618 0.161,619 0.043,620 0.167,621 0.005,622 -0.027,623 -0.094,624 -0.084,625 -0.017,626 -0.114,627 -0.066,628 -0.098,629 -0.034,630 -0.109,631 -0.042,632 -0.122,633 -0.036,634 0.001,635 0.041,636 0.034,637 -0.022,638 -0.004,639 -0.09,640 -0.103,641 0.048,642 -0.011,643 -0.105,644 -0.048,645 -0.023,646 0.041,647 -0.087,648 -0.077,649 -0.012,650 0.046,651 0.185,652 -0.097,653 -0.006,654 -0.065,655 0.129,656 -0.094,657 1.851,658 5.544,659 0.76,660 18.49,661 1.009,662 1.114,663 3.038,664 9.227,665 0.722,666 3.367,667 3.738,668 4.078,669 4.443,670 4.762,671 4.905,672 5.063,673 5.236,674 5.268,675 5.242,676 5.175,677 0.688,678 398.28,679 3.367,680 4.934,681 5.82,682 6.739,683 7.653,684 8.584,685 9.51,686 10.446,687 11.379,688 12.32,689 7.3,696 1,697 1,698 1,703 2,704 7,709 5,710 1,711 16,729 1,730 1,731 41,733 18,734 2,735 28,736 1,737 44,738 19,739 14,740 5,741 7,742 2,746 4,747 7,749 1,752 1,761 16,762 3,766 2,771 1,774 1,775 2,778 1,781 16,782 4,783 1,784 6,785 1,790 3,794 0.5,795 2,807 1,811 1,812 3,815 2,840 2,843 1,844 2,848 25,854 1,855 1,856 1,869 1,870 4.9,873 1,875 1,877 12.833,878 8.21,879 5.444,880 2.336,881 3.524,882 1.46,883 1.028,884 4.138,885 11.181,886 3.664,887 4.341,888 5.005,889 5.7,890 6.323,891 6.737,892 7.177,893 7.653,894 7.925,895 8.178,896 0.833,897 44,898 9.211,900 3.955,901 7.71,902 17.584,904 14.589,905 2.21,906 55.25,909 1,910 176.567,911 117.753,912 82.404,914 36.145,917 163.707,918 212.711,919 36.45,920 19.708,921 19.994,922 66.334,923 32.606,924 46.805,925 4.901,926 176.567,927 45.954,928 176.567,929 154.203,930 36.145,932 45.954,933 176.567,934 36.145,937 47.381,938 106.822,940 45.954,941 176.567,942 72.595,943 163.707,946 176.567,947 31.711,948 87.941,949 63.842,950 52.808,951 176.567,952 72.595,953 163.707,955 0.588,956 0.356,957 0.206,958 0.126,959 22,960 10,961 0.068,962 3,963 2,964 1.211,965 3.548,966 225.176,967 0.211,968 19,969 116.096,974 16.369,975 6.32,976 2.774,977 2.019,978 70.696,979 13.926,984 4.37,985 2.041,986 17.888,987 412.868,988 38,993 12.544,996 4.148,997 0.623,999 41.374,1000 45.662,1001 0.31,1002 0.712,1003 0.858,1004 0.948,1005 0.948,1006 0.948,1007 4.92,1008 1.492,1009 5.832,1010 4.617,1011 4.419,1012 5.027,1013 1.819,1014 6.718,1015 4.332,1016 6.168,1017 1.216,1018 7.433,1019 4.346,1020 4.111,1021 4.987,1023 7.763,1024 3.964,1025 7.51,1026 0.922,1027 9.135,1028 2.695,1029 6.075,1030 7.334,1031 1.576,1032 10.942,1033 5.929,1034 8.891,1035 0.43,1036 10.898,1037 2.406,1038 6.581,1039 8.125,1041 12.876,1042 6.393,1043 10.304,1044 0.162,1045 12.702,1046 0.626,1047 8.049,1048 9.974,1049 1.405,1050 15.613,1051 7.854,1052 11.743,1054 14.537,1055 0.357,1056 8.944,1057 11.174,1059 17.93,1060 8.718,1061 13.204,1062 -0.309,1063 16.397,1065 10.234,1066 12.834,1067 1.278,1068 20.532,1069 9.993,1070 3.439,1071 -0.632,1072 18.276,1073 -0.811,1074 11.313,1075 14.233,1077 22.999,1078 11.044,1079 2.704,1080 12.827,1081 20.173,1082 -1.48,1083 12.547,1084 15.823,1085 1.178,1086 25.562,1087 12.257,1088 2.6,1089 8.493,1090 22.083,1091 4.791,1092 13.71,1093 17.314,1095 28.084,1096 13.392,1097 2.404,1098 8.37,1099 24.004,1100 3.676,1101 14.932,1102 18.883,1103 1.098,1104 30.637,1105 14.59,1106 2.148,1107 7.533,1108 25.936,1109 3.513,1110 16.131,1111 20.414,1113 33.178,1114 15.762,1115 2.015,1116 6.052,1117 27.876,1118 3.173,1119 17.354,1120 21.977,1121 1.033,1122 35.73,1123 16.958,1124 1.599,1125 5.761,1126 29.822,1127 2.815,1128 18.571,1129 23.528,1131 38.277,1132 18.148,1133 6068,1134 10741,1135 18.611,1136 29.608,1137 42.687,1138 44.26,1139 44.706,1140 42.524,1141 42.261,1142 57.043,1143 6.287,1144 128.167,1145 40.154,1146 5.682,1147 5.714,1148 6.821,1149 5.447,1150 5.439,1151 7.791,1152 1.96,1153 20.355,1154 5.343,1155 12.479,1156 1.525,1157 1.581,1158 1.597,1159 1.519,1160 1.509,1161 2.037,1162 0.225,1163 4.577,1164 1.434,1165 4.183,1166 4.211,1167 6.88,1168 4.1,1169 7.429,1170 4.108,1171 3.894,1172 3.916,1173 4.139,1174 3.831,1175 4.951,1176 3.827,1177 3.643,1178 3.686,1179 3.832,1180 3.528,1181 4.843,1182 3.523,1183 3.382,1184 3.442,1185 3.529,1186 3.205,1187 4.615,1188 3.207,1189 3.24,1190 3.304,1191 3.235,1192 2.986,1193 4.385,1194 2.995,1195 3.147,1196 3.207,1197 3.084,1198 2.909,1199 4.145,1200 2.923,1201 2.964,1202 3.018,1203 2.985,1204 2.846,1205 3.766,1206 2.835,1207 2.86,1208 2.915,1209 2.826,1210 2.782,1211 3.677,1212 2.752,1213 0.173,1214 0.133,1215 0.258,1216 0.158,1217 0.123,1218 4.842,1219 0.171,1220 3.714,1221 0.035,1222 7.229,1223 0.458,1224 4.411,1225 0.119,1226 3.439,1227 4.791,1228 0.98,1229 12.827,1230 3.343,1231 1.957,1232 1.936,1233 2.041,1234 2.054,1235 1.223,1236 2.052,1237 1.899,1238 1.878,1239 1.972,1240 1.983,1241 1.142,1242 1.983,1243 1.719,1244 1.684,1245 1.817,1246 1.9,1247 0.928,1248 1.878,1249 1.33,1250 1.269,1251 1.591,1252 1.559,1253 0.701,1254 1.572,1255 1.193,1256 1.123,1257 1.536,1258 1.481,1259 0.571,1260 1.505,1261 1.087,1262 1.023,1263 1.35,1264 1.36,1265 0.461,1266 1.361,1267 0.927,1268 0.881,1269 1.137,1270 1.11,1271 0.185,1272 1.129,1273 0.855,1274 0.817,1275 1.086,1276 0.999,1277 0.146,1278 1.033,1279 4.043,1281 5.398,1282 2.398,1283 6.959,1284 4.949,1285 8.62,1286 7.261,1287 10.336,1288 3.524,1289 3.561,1295 0.575,1296 2.604,1297 5.314,1305 28.207,1306 68.194,1307 156.357,1308 188.498,1309 208.15,1310 208.15,1311 208.15,1312 35.26,1313 7.657,1314 59.91,1315 59.91,1316 23,1317 12.816,1318 4.248,1319 3.459,1320 35.587,1321 75,1322 90,1323 0.234,1324 177.394,1325 301.22,1326 424.601,1327 20554,1328 2.4,1329 17.552,1330 0.702,1331 0.617,1332 18.552,1333 15.423,1334 12.08,1335 0.431,1336 0.31,1337 7.816,1338 11.061,1339 7.517,1340 6.23,1341 12.657,1342 8.672,1343 11.139,1344 0.272,1345 0.168,1346 11.956,1347 6.877,1348 9.666,1349 0.167,1350 0.084,1351 10.191,1352 4.896,1353 8.496,1354 0.101,1355 0.043,1356 8.935,1357 3.651,1358 7.568,1359 0.065,1360 0.024,1361 8.092,1362 2.746,1363 0.35,1364 83.988,1365 0.232,1366 23.479,1367 0.7,1368 138,1369 403.749,1370 215.153,1371 427.662,1372 581.66,1373 400,1374 168,1375 409.888,1376 208.63,1377 429.746,1378 632.1,1379 403,1380 5.658}
{0 CHEMBL2089096,1 1.747,2 9.13,3 2.869,4 8.233,5 91.234,6 8.421,7 0.423,8 3.802,9 3.906,10 3.537,11 3.367,12 4.884,13 3.343,14 4.359,15 4.521,16 3.935,17 3.758,18 5.436,19 3.716,20 4.536,21 4.727,22 3.977,23 3.853,24 5.534,25 3.772,26 4.551,27 4.777,28 3.85,29 3.829,30 5.568,31 3.701,32 4.388,33 4.593,34 3.729,35 3.705,36 5.374,37 3.594,38 4.28,39 4.456,40 3.704,41 3.627,42 5.387,43 3.586,44 4.339,45 4.516,46 3.609,47 3.61,48 5.49,49 3.528,50 4.283,51 4.506,52 3.281,53 3.369,54 5.439,55 3.255,56 0.043,57 0.623,58 7.065,59 3.564,60 4.786,61 4.127,62 0.368,63 1.047,64 16.495,65 5.749,66 22.799,67 6.762,68 0.334,69 1.187,70 21.71,71 7.624,72 21.826,73 9.388,74 0.425,75 1.207,76 26.265,77 8.624,78 36.428,79 10.287,80 0.336,81 1.041,82 24.941,83 7.856,84 21.082,85 9.009,86 0.239,87 0.922,88 14.056,89 5.169,90 20.852,91 6.145,92 0.329,93 0.935,94 17.403,95 6.069,96 34.642,97 6.796,98 0.47,99 0.773,100 19.282,101 6.175,102 53.466,103 7.246,104 2,105 36,106 0.31,107 0.646,108 0.755,109 0.79,110 0.802,111 0.802,112 3.189,113 0.964,114 -4.36,115 -4.29,116 -4.05,119 41,125 5,142 5,143 1,147 1,152 1,158 2,162 1,172 6,174 4,175 3,183 6,186 1,187 5,195 3,198 4,199 4,211 3,212 6,220 1,224 6,232 2,236 1,237 6,245 2,249 2,250 4,258 1,263 3,275 717,276 15.999,277 15.999,278 15.999,279 15.999,280 15.999,281 14.481,282 24.178,283 9.643,284 16.616,285 12.887,286 12.887,287 12.887,288 12.887,289 12.887,290 10.465,291 36.971,292 4.646,293 13.912,294 3.538,295 1.65,296 1.035,297 0.84,298 0.769,299 0.769,300 3.892,303 1,304 1,305 1,306 465,307 2.121,310 42.719,311 189.945,314 83.918,318 1.452,319 19.887,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 210,332 4.532,333 3.668,334 6.737,335 4.127,336 3.213,337 4.172,338 1.237,339 11.015,340 2.941,341 3.937,342 3.164,343 6.074,344 3.634,345 2.727,346 3.453,347 0.935,348 8.809,349 2.525,350 3.847,351 3.032,352 5.678,353 3.517,354 2.536,355 3.114,356 0.86,357 7.617,358 2.424,359 3.448,360 2.596,361 5.261,362 3.126,363 2.16,364 2.601,365 0.8,366 6.478,367 2.071,368 3.22,369 2.335,370 4.699,371 2.807,372 1.914,373 2.33,374 0.349,375 5.034,376 1.698,377 2.873,378 2.066,379 4.291,380 2.468,381 1.552,382 2.015,384 3.852,385 1.431,386 2.798,387 1.588,388 3.738,389 2.38,390 1.419,391 1.818,393 3.074,394 1.333,395 2.5,396 1.42,397 3.543,398 2,399 1,400 1.5,402 2.521,403 1,404 2.231,405 1.256,406 3.484,407 1.952,408 1,409 1.139,411 2.136,412 0.946,413 2.171,414 1.225,415 3.247,416 1.854,417 1,418 1.023,420 2.136,421 0.847,422 2,423 1,424 3.247,425 1.574,426 0.727,427 1,428 2.114,429 0.601,430 1.883,431 0.809,432 2.947,433 1.272,434 0.299,435 0.437,436 0.716,437 0.286,438 0.978,439 0.105,440 2.537,441 0.62,442 -0.366,443 -0.473,445 -0.883,446 -0.357,447 0.5,448 -0.347,449 2.385,450 0.256,451 -0.672,452 -0.724,454 -1.546,455 -0.62,456 0.451,457 -0.36,458 2.308,460 -1,461 -1,463 -2.347,464 -0.846,465 11.1,466 0.483,467 0.448,468 0.019,469 30.25,470 1.315,471 14,472 0.609,473 16.25,474 0.707,475 17.491,476 0.76,477 24.3,478 0.623,479 19.559,480 0.85,481 5.934,482 0.258,483 5.375,484 0.234,485 0.03,487 0.297,493 0.783,494 1.446,495 0.679,496 1.02,497 0.547,498 0.925,499 1.1,500 0.917,501 0.857,502 0.814,503 0.66,504 0.814,505 0.89,506 1.246,507 0.853,508 1.052,509 0.724,510 1.007,511 0.741,512 0.933,513 1.194,514 1.049,515 0.832,516 0.957,517 0.622,518 1.149,519 1.442,520 1.392,521 0.563,522 1.052,523 1.288,524 1.031,525 0.863,526 0.815,527 1.37,528 0.906,529 1.436,530 1.084,531 1.266,532 1.123,533 1.933,534 1.178,535 1.408,536 0.823,537 1.153,538 0.969,539 2.051,540 1.048,541 3.5,542 0.016,543 2.222,544 1.097,545 1.282,546 0.663,547 0.421,548 0.285,549 0.137,550 0.024,551 5783,552 15939,553 2.196,554 41,556 15,558 1,564 1.66,565 2.123,566 3.185,567 -0.686,568 1,569 1,571 1,573 68.131,574 1.747,575 3.636,576 4.25,577 4.446,578 4.516,579 4.516,580 2.653,581 4.002,582 4.492,583 3.299,584 834.538,585 7.754,586 9288.75,587 1,588 1,589 1,590 1,591 206.131,592 1.121,593 4.483,594 0.135,595 0.002,596 0.062,597 0.031,598 0.041,599 0.023,600 0.014,601 0.011,602 0.008,603 0.002,604 0.33,605 0.33,606 1,607 0.393,608 106.362,609 -0.037,610 -0.329,611 0.083,612 -0.085,613 -0.004,614 -0.036,615 -0.026,616 0.187,617 0.058,618 0.123,619 0.024,620 0.069,621 0.017,622 -0.24,623 0.112,624 -0.071,625 0.012,626 -0.047,627 0.081,628 0.111,629 -0.017,630 0.042,631 0.055,632 0.042,633 0.148,634 -0.079,635 -0.139,636 -0.19,637 0.076,638 -0.032,639 -0.255,640 0.031,641 -0.078,642 0.03,643 -0.166,644 -0.029,645 -0.249,646 -0.049,647 -0.308,648 -0.171,649 -0.245,650 -0.276,651 -0.02,652 0.064,653 -0.144,654 -0.015,655 -0.077,656 -0.077,657 1.874,658 5.082,659 0.913,660 19.138,661 1.011,662 1.124,663 3.128,664 9.785,665 0.696,666 3.296,667 3.611,668 3.912,669 4.205,670 4.466,671 4.554,672 4.7,673 4.852,674 4.898,675 4.92,676 5.415,677 0.663,678 328.43,679 3.296,680 4.828,681 5.687,682 6.567,683 7.447,684 8.338,685 9.229,686 10.126,687 11.024,688 11.925,689 10.3,695 2,698 1,699 1,704 5,705 1,708 1,709 4,711 11,726 2,731 39,733 13,734 1,735 26,737 42,738 16,739 9,740 1,741 5,742 2,746 4,747 5,761 11,762 5,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 16,782 6,784 7,785 1,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,848 23,854 5,856 1,859 2,863 1,870 5.1,873 1,874 1,877 10.833,878 7.05,879 5.028,880 2.336,881 2.33,882 1.318,883 1.011,884 4.102,885 9.647,886 3.541,887 4.073,888 4.641,889 5.186,890 5.635,891 5.889,892 6.201,893 6.564,894 6.807,895 7.002,896 1,897 35,898 8.514,900 3.657,901 7.681,902 16.418,904 13.648,905 2.181,906 50.167,910 188.338,911 114.857,912 39.82,914 36.145,916 31.278,917 83.579,918 224.482,919 39.82,921 15.502,922 47.381,923 78.025,924 26.72,925 3.686,926 207.844,928 188.338,929 123.399,930 36.145,931 31.278,933 188.338,934 25.145,935 11,937 32.788,938 73.825,939 16.786,940 31.278,941 188.338,942 75.965,943 114.857,946 188.338,947 58.857,948 62.248,950 69.716,951 188.338,952 75.965,953 114.857,955 0.575,956 0.337,957 0.189,958 0.108,959 19,960 7,961 0.071,962 3,963 1,964 1.095,965 3.607,966 190.909,967 0.095,968 21,969 96.042,970 1,974 14.79,975 6.379,976 3.011,978 75.965,979 10.103,980 4.705,983 1.419,984 3.348,987 379.159,988 33.5,993 12.082,995 1.584,996 3.997,997 -0.207,999 39.44,1000 43.823,1001 0.331,1002 0.688,1003 0.804,1004 0.841,1005 0.854,1006 0.854,1007 4.777,1008 1,1009 5.652,1010 3.074,1011 4.29,1012 4.758,1013 2.117,1014 6.46,1015 4.142,1016 5.946,1017 1,1018 7.2,1019 2.521,1020 3.761,1021 4.369,1022 0.57,1023 7.334,1024 3.546,1025 7.229,1026 1,1027 8.852,1028 2.136,1029 5.866,1030 6.844,1031 2.108,1032 10.476,1033 5.57,1034 8.549,1035 0.727,1036 10.568,1037 2.136,1038 6.217,1039 7.36,1040 0.703,1041 12.23,1042 5.828,1043 9.906,1044 0.299,1045 12.327,1046 2.114,1047 7.748,1048 9.247,1049 2.273,1050 14.87,1051 7.291,1052 11.291,1053 -0.366,1054 14.115,1055 0.716,1056 8.514,1057 10.203,1058 0.812,1059 16.983,1060 7.952,1061 12.697,1062 -0.672,1063 15.924,1064 -0.883,1065 9.81,1066 11.835,1067 2.535,1068 19.457,1069 9.177,1070 3.213,1071 -1,1072 17.749,1073 -1.546,1074 10.779,1075 13.017,1076 0.985,1077 21.726,1078 10.038,1079 2.727,1080 11.015,1081 19.587,1082 -2.347,1083 11.979,1084 14.533,1085 2.856,1086 24.142,1087 11.162,1088 2.536,1089 8.809,1090 21.434,1091 4.172,1092 13.046,1093 15.832,1094 1.248,1095 26.48,1096 12.123,1097 2.16,1098 7.617,1099 23.289,1100 3.453,1101 14.211,1102 17.295,1103 3.213,1104 28.879,1105 13.205,1106 1.914,1107 6.478,1108 25.151,1109 3.114,1110 15.325,1111 18.654,1112 1.593,1113 31.248,1114 14.217,1115 1.552,1116 5.034,1117 27.019,1118 2.601,1119 16.481,1120 20.095,1121 3.591,1122 33.642,1123 15.286,1124 1.419,1125 3.852,1126 28.891,1127 2.33,1128 17.617,1129 21.485,1130 2.001,1131 36.026,1132 16.324,1133 5417,1134 9139,1135 18.087,1136 27.148,1137 39.958,1138 40.47,1139 39.429,1140 39.081,1141 39.093,1142 49.201,1143 8.362,1144 111.003,1145 36.205,1146 5.532,1147 5.668,1148 6.539,1149 5.269,1150 5.213,1151 7.172,1152 2.45,1153 18.2,1154 4.941,1155 5.801,1156 1.537,1157 1.557,1158 1.516,1159 1.503,1160 1.504,1161 1.892,1162 0.322,1163 4.269,1164 1.393,1165 4.004,1166 4.037,1167 4.272,1168 3.925,1169 7.431,1170 3.9,1171 3.868,1172 3.9,1173 3.833,1174 3.817,1175 4.868,1176 3.79,1177 3.714,1178 3.763,1179 3.612,1180 3.496,1181 4.732,1182 3.514,1183 3.3,1184 3.346,1185 3.416,1186 3.159,1187 4.604,1188 3.136,1189 3.168,1190 3.215,1191 3.089,1192 2.951,1193 4.413,1194 2.974,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.805,1200 2.91,1201 2.854,1202 2.925,1203 2.718,1204 2.735,1205 3.68,1206 2.715,1207 2.781,1208 2.843,1209 2.687,1210 2.55,1211 3.674,1212 2.578,1213 0.174,1214 0.141,1215 0.259,1216 0.159,1217 0.124,1218 4.532,1219 0.16,1220 3.668,1221 0.048,1222 6.737,1223 0.424,1224 4.127,1225 0.113,1226 3.213,1227 4.172,1228 1.237,1229 11.015,1230 2.941,1231 1.916,1232 1.885,1233 2.042,1234 2.017,1235 1.199,1236 2.024,1237 1.708,1238 1.658,1239 1.911,1240 1.95,1241 1.167,1242 1.944,1243 1.651,1244 1.62,1245 1.701,1246 1.837,1247 0.825,1248 1.809,1249 1.209,1250 1.188,1251 1.513,1252 1.386,1253 0.82,1254 1.429,1255 1.153,1256 1.064,1257 1.357,1258 1.376,1259 0.557,1260 1.388,1261 1.07,1262 1.023,1263 1.181,1264 1.291,1265 0.344,1266 1.284,1267 0.886,1268 0.821,1269 1.151,1270 1.062,1271 0.218,1272 1.107,1273 0.845,1274 0.793,1275 0.962,1276 1.016,1277 0.111,1278 1.025,1279 3.97,1281 5.283,1282 2.398,1283 6.801,1284 4.727,1285 8.41,1286 6.88,1287 10.067,1295 3.655,1297 5.378,1300 4.104,1305 25.863,1306 68.131,1307 141.792,1308 165.766,1309 173.376,1310 176.131,1311 176.131,1312 29.483,1313 7.317,1314 60.25,1315 88.49,1316 23,1317 12.447,1318 3.807,1319 3.087,1320 31.729,1321 73,1322 74,1323 0.213,1324 160.483,1325 275.73,1326 383.339,1327 14211,1329 15.648,1330 0.68,1331 0.58,1332 16.002,1333 13.33,1334 11.31,1335 0.435,1336 0.321,1337 7.469,1338 10.377,1339 7.279,1340 5.958,1341 11.718,1342 8.354,1343 10.012,1344 0.278,1345 0.177,1346 10.627,1347 6.389,1348 8.706,1349 0.178,1350 0.101,1351 9.596,1352 4.949,1353 7.381,1354 0.112,1355 0.056,1356 8.321,1357 3.677,1358 6.205,1359 0.072,1360 0.029,1361 7.059,1362 2.527,1363 0.326,1364 75.53,1365 0.235,1366 22.365,1367 0.61,1368 124,1369 382.912,1370 164.599,1371 383.881,1372 526.64,1373 362,1374 147,1375 369.283,1376 188.53,1377 387.803,1378 576.14,1379 364,1380 5.102}
{0 CHEMBL2089097,1 1.713,2 9.208,3 3.356,4 11.259,5 96.275,6 8.154,7 0.407,8 3.865,9 3.972,10 3.57,11 3.426,12 4.929,13 3.396,14 4.428,15 4.6,16 3.975,17 3.822,18 5.476,19 3.774,20 4.597,21 4.782,22 4.038,23 3.942,24 5.591,25 3.859,26 4.665,27 4.887,28 3.913,29 3.948,30 5.662,31 3.809,32 4.579,33 4.819,34 3.788,35 3.823,36 5.487,37 3.696,38 4.392,39 4.572,40 3.79,41 3.736,42 5.478,43 3.687,44 4.487,45 4.684,46 3.739,47 3.743,48 5.6,49 3.653,50 4.398,51 4.611,52 3.403,53 3.523,54 5.536,55 3.385,56 0.03,57 0.662,58 8.149,59 3.906,60 4.634,61 4.692,62 0.366,63 1.108,64 18.702,65 6.337,66 23.093,67 7.829,68 0.306,69 1.267,70 23.102,71 8.158,72 20.113,73 10.303,74 0.395,75 1.343,76 28.432,77 9.712,78 36.753,79 11.96,80 0.4,81 1.207,82 30.414,83 9.27,84 25.916,85 11.383,86 0.209,87 1.026,88 16.362,89 6.036,90 20.475,91 7.584,92 0.376,93 1.086,94 20.641,95 6.749,96 38.194,97 8.056,98 0.437,99 0.891,100 23.762,101 7.551,102 50.609,103 8.72,104 5,105 38,106 0.3,107 0.637,108 0.782,109 0.807,110 0.824,111 0.832,112 3.229,113 0.974,114 -4.6,115 -4.52,116 -4.26,119 40.5,120 1,125 5,142 4,143 2,147 1,152 1,158 2,162 1,172 7,174 4,175 3,183 8,186 1,187 5,195 5,198 4,199 5,207 1,211 3,212 6,220 1,224 8,232 2,236 1,237 6,245 3,249 2,250 6,258 1,263 3,275 796,276 16.499,277 16.499,278 16.499,279 16.499,280 16.499,281 14.928,282 25.035,283 9.785,284 17.116,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 10.849,291 37.019,292 4.676,293 14.372,294 3.68,295 1.755,296 0.923,297 0.78,298 0.685,299 0.637,300 3.929,303 1,304 1,305 1,306 486,307 2.236,310 44.798,311 199.234,314 87.709,318 1.476,319 20.572,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 221,332 4.534,333 3.669,334 6.739,335 4.131,336 3.216,337 4.173,338 1.237,339 11.022,340 2.954,341 4.166,342 3.184,343 6.099,344 3.796,345 2.819,346 3.775,347 0.935,348 8.901,349 2.767,350 3.868,351 3.091,352 6.022,353 3.598,354 2.68,355 3.116,356 0.86,357 8.563,358 2.429,359 3.47,360 2.812,361 5.569,362 3.182,363 2.226,364 2.61,365 0.8,366 7.043,367 2.115,368 3.228,369 2.365,370 4.739,371 2.821,372 1.923,373 2.335,374 0.349,375 5.103,376 1.716,377 2.883,378 2.085,379 4.318,380 2.478,381 1.561,382 2.047,384 3.954,385 1.436,386 2.826,387 1.74,388 4.144,389 2.414,390 1.42,391 1.943,393 3.646,394 1.414,395 2.798,396 1.49,397 3.687,398 2.374,399 1.414,400 1.817,402 2.975,403 1.328,404 2.231,405 1.42,406 3.588,407 1.952,408 1,409 1.139,411 2.521,412 0.946,413 2.173,414 1.256,415 3.484,416 1.854,417 1,418 1.028,420 2.136,421 0.847,422 2,423 1.224,424 3.247,425 1.583,426 0.733,427 1,428 2.124,429 0.609,430 1.909,431 0.821,432 2.999,433 1.332,434 0.357,435 0.505,436 0.845,437 0.343,438 1.238,439 0.34,440 2.583,441 0.886,442 -0.103,443 -0.135,445 -0.231,446 -0.101,447 0.714,448 -0.175,449 2.388,450 0.349,451 -0.63,452 -0.69,454 -1.501,455 -0.596,456 0.452,457 -0.36,458 2.325,459 0.254,460 -0.687,461 -0.844,463 -1.606,464 -0.657,465 11.6,466 0.483,467 0.538,468 0.022,469 30.75,470 1.281,471 14,472 0.583,473 16.75,474 0.698,475 19.828,476 0.826,477 25.6,478 0.61,479 20.31,480 0.846,481 5.991,482 0.25,483 5.73,484 0.239,485 0.072,487 0.328,493 0.777,494 1.45,495 0.698,496 1.04,497 0.561,498 0.95,499 1.073,500 0.886,501 0.819,502 0.781,503 0.641,504 0.771,505 0.886,506 1.26,507 0.863,508 1.069,509 0.723,510 1.024,511 0.7,512 1.055,513 1.198,514 1.146,515 0.814,516 1.081,517 0.616,518 0.995,519 1.268,520 1.186,521 0.514,522 0.921,523 1.181,524 1.129,525 0.826,526 0.874,527 1.271,528 0.941,529 1.473,530 0.953,531 1.17,532 0.946,533 1.902,534 1.056,535 1.319,536 1.042,537 1.461,538 1.311,539 1.871,540 1.2,541 4,542 0.033,543 2.889,544 1.285,545 1.473,546 0.774,547 0.467,548 0.385,549 0.186,550 0.064,551 6338,552 16894,553 2.161,554 42.9,555 3,556 14,558 1,564 1.673,565 2.057,566 3.192,567 -0.699,568 1,569 1,571 1,573 71.932,574 1.713,575 3.637,576 4.47,577 4.612,578 4.708,579 4.755,580 2.642,581 4.252,582 4.556,583 3.319,584 915.967,585 7.882,586 10514,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.148,595 0.003,596 0.076,597 0.034,598 0.045,599 0.025,600 0.014,601 0.014,602 0.01,603 0.005,604 0.374,605 0.33,606 1,607 0.49,608 112.574,609 -0.025,610 -0.315,611 0.086,612 -0.08,613 -0.01,614 -0.032,615 0.008,616 0.217,617 0.112,618 0.168,619 0.049,620 0.135,621 0.017,622 -0.229,623 0.087,624 -0.081,625 0.009,626 -0.066,627 0.086,628 -0.01,629 -0.073,630 -0.071,631 0.037,632 -0.089,633 0.148,634 0.035,635 -0.018,636 -0.041,637 0.091,638 0.106,639 -0.184,640 -0.071,641 -0.036,642 -0.014,643 -0.114,644 -0.039,645 -0.269,646 0.108,647 -0.215,648 -0.02,649 -0.273,650 -0.157,651 0.011,652 -0.105,653 -0.275,654 -0.221,655 0.004,656 -0.213,657 1.872,658 5.149,659 0.875,660 19.833,661 1.008,662 1.125,663 3.371,664 11.366,665 0.688,666 3.332,667 3.664,668 3.97,669 4.248,670 4.511,671 4.605,672 4.745,673 4.913,674 4.97,675 4.99,676 5.517,677 0.652,678 342.46,679 3.332,680 4.875,681 5.74,682 6.624,683 7.509,684 8.402,685 9.297,686 10.195,687 11.095,688 11.997,689 9.5,695 2,698 1,699 1,704 4,705 1,708 1,709 5,711 11,726 2,731 42,733 13,734 1,735 27,737 45,738 17,739 9,740 2,741 4,742 2,746 4,747 5,752 1,761 11,762 6,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 18,782 6,784 7,785 1,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 24,854 5,856 1,859 2,863 1,870 4.8,873 1,874 1,877 11.667,878 7.967,879 5.222,880 2.538,881 2.397,882 1.323,883 1.004,884 4.335,885 9.818,886 3.57,887 4.123,888 4.697,889 5.231,890 5.681,891 5.95,892 6.239,893 6.615,894 6.866,895 7.069,896 1,897 38,898 8.89,900 3.806,901 7.66,902 17.193,904 14.296,905 2.16,906 51.833,909 1,910 211.88,911 117.391,912 39.82,914 36.145,916 31.278,917 86.114,918 248.025,919 39.82,920 8.825,921 15.502,922 37.905,923 78.025,924 29.906,925 3.686,926 231.386,928 211.88,929 125.933,930 36.145,931 31.278,933 211.88,934 25.145,935 11,937 41.613,938 67.534,939 16.786,940 31.278,941 211.88,942 75.965,943 117.391,946 211.88,947 62.042,948 61.597,950 69.716,951 211.88,952 75.965,953 117.391,955 0.582,956 0.346,957 0.188,958 0.106,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.64,966 203.725,967 0.095,968 21,969 104.039,970 1,974 15.731,975 6.614,976 3.116,978 75.965,979 8.227,980 4.735,983 1.423,984 4.618,987 405.236,988 34.5,993 12.149,995 1.597,996 4.026,997 -0.206,999 42.323,1000 47.238,1001 0.318,1002 0.675,1003 0.829,1004 0.855,1005 0.873,1006 0.882,1007 4.818,1008 1.414,1009 5.72,1010 3.646,1011 4.344,1012 4.808,1013 2.117,1014 6.544,1015 4.204,1016 6.002,1017 1,1018 7.284,1019 2.975,1020 3.892,1021 4.527,1022 0.57,1023 7.455,1024 3.706,1025 7.298,1026 1,1027 8.951,1028 2.521,1029 5.943,1030 6.927,1031 2.108,1032 10.585,1033 5.671,1034 8.631,1035 0.733,1036 10.68,1037 2.136,1038 6.347,1039 7.528,1040 0.703,1041 12.345,1042 6.016,1043 10.001,1044 0.357,1045 12.448,1046 2.124,1047 7.846,1048 9.365,1049 2.273,1050 14.977,1051 7.441,1052 11.396,1053 -0.103,1054 14.242,1055 0.845,1056 8.643,1057 10.379,1058 0.812,1059 17.081,1060 8.167,1061 12.811,1062 -0.63,1063 16.055,1064 -0.231,1065 9.92,1066 11.981,1067 2.535,1068 19.546,1069 9.375,1070 3.216,1071 -0.687,1072 17.882,1073 -1.501,1074 10.902,1075 13.194,1076 0.985,1077 21.803,1078 10.279,1079 2.819,1080 11.022,1081 19.72,1082 -1.606,1083 12.091,1084 14.692,1085 2.856,1086 24.21,1087 11.396,1088 2.68,1089 8.901,1090 21.566,1091 4.173,1092 13.16,1093 16.004,1094 1.248,1095 26.538,1096 12.383,1097 2.226,1098 8.563,1099 23.418,1100 3.775,1101 14.318,1102 17.454,1103 3.213,1104 28.929,1105 13.465,1106 1.923,1107 7.043,1108 25.276,1109 3.116,1110 15.428,1111 18.815,1112 1.593,1113 31.291,1114 14.49,1115 1.561,1116 5.103,1117 27.139,1118 2.61,1119 16.577,1120 20.245,1121 3.591,1122 33.68,1123 15.559,1124 1.42,1125 3.954,1126 29.007,1127 2.335,1128 17.709,1129 21.632,1130 2.001,1131 36.059,1132 16.605,1133 5978,1134 9920,1135 18.493,1136 28.909,1137 41.504,1138 42.156,1139 41.714,1140 40.634,1141 40.697,1142 50.98,1143 8.362,1144 117.666,1145 37.81,1146 5.534,1147 5.669,1148 6.541,1149 5.273,1150 5.216,1151 7.173,1152 2.45,1153 18.216,1154 4.954,1155 8.554,1156 1.537,1157 1.561,1158 1.545,1159 1.505,1160 1.507,1161 1.888,1162 0.31,1163 4.358,1164 1.4,1165 4.012,1166 4.045,1167 4.273,1168 3.935,1169 7.431,1170 3.916,1171 3.888,1172 3.917,1173 3.865,1174 3.839,1175 4.867,1176 3.807,1177 3.715,1178 3.766,1179 3.613,1180 3.496,1181 4.722,1182 3.514,1183 3.3,1184 3.346,1185 3.418,1186 3.159,1187 4.604,1188 3.136,1189 3.18,1190 3.257,1191 3.089,1192 3.025,1193 4.413,1194 3.008,1195 3.154,1196 3.21,1197 2.959,1198 2.941,1199 3.902,1200 2.954,1201 3.111,1202 3.206,1203 2.866,1204 2.938,1205 3.791,1206 2.91,1207 2.788,1208 2.845,1209 2.714,1210 2.583,1211 3.679,1212 2.599,1213 0.168,1214 0.136,1215 0.25,1216 0.153,1217 0.119,1218 4.534,1219 0.155,1220 3.669,1221 0.046,1222 6.739,1223 0.408,1224 4.131,1225 0.109,1226 3.216,1227 4.173,1228 1.237,1229 11.022,1230 2.954,1231 1.94,1232 1.912,1233 2.063,1234 2.033,1235 1.219,1236 2.043,1237 1.708,1238 1.658,1239 1.911,1240 1.951,1241 1.199,1242 1.944,1243 1.654,1244 1.623,1245 1.705,1246 1.844,1247 0.84,1248 1.815,1249 1.217,1250 1.188,1251 1.552,1252 1.418,1253 0.825,1254 1.469,1255 1.198,1256 1.127,1257 1.513,1258 1.386,1259 0.606,1260 1.429,1261 1.153,1262 1.064,1263 1.354,1264 1.376,1265 0.556,1266 1.387,1267 1.064,1268 1.014,1269 1.151,1270 1.289,1271 0.343,1272 1.283,1273 0.846,1274 0.793,1275 1.059,1276 1.016,1277 0.134,1278 1.026,1279 4.007,1281 5.333,1282 2.398,1283 6.862,1284 4.727,1285 8.481,1286 6.88,1287 10.146,1289 2.086,1295 3.657,1297 5.391,1300 4.13,1305 27.39,1306 71.932,1307 152.762,1308 187.722,1309 193.722,1310 197.722,1311 199.722,1312 32.159,1313 7.421,1314 60.25,1315 88.49,1316 23,1317 12.518,1318 3.807,1319 3.087,1320 33.712,1321 78,1322 77,1323 0.212,1324 170.075,1325 293.03,1326 406.744,1327 16208,1329 16.518,1330 0.688,1331 0.594,1332 16.872,1333 14.252,1334 11.72,1335 0.434,1336 0.325,1337 7.886,1338 10.787,1339 7.626,1340 6.267,1341 12.129,1342 8.77,1343 10.53,1344 0.277,1345 0.18,1346 11.145,1347 6.83,1348 9.24,1349 0.178,1350 0.103,1351 10.13,1352 5.356,1353 7.662,1354 0.111,1355 0.056,1356 8.602,1357 3.868,1358 6.429,1359 0.071,1360 0.03,1361 7.284,1362 2.664,1363 0.325,1364 77.994,1365 0.233,1366 23.133,1367 0.608,1368 130,1369 390.912,1370 170.599,1371 392.437,1372 539.65,1373 370,1374 155,1375 380.283,1376 196.53,1377 400.029,1378 594.08,1379 375,1380 5.602}
{0 CHEMBL2089098,1 1.713,2 9.125,3 3.247,4 10.542,5 95.652,6 8.154,7 0.407,8 3.865,9 3.972,10 3.57,11 3.426,12 4.931,13 3.396,14 4.429,15 4.597,16 3.979,17 3.822,18 5.48,19 3.775,20 4.628,21 4.826,22 4.054,23 3.949,24 5.607,25 3.871,26 4.668,27 4.878,28 3.973,29 3.988,30 5.697,31 3.862,32 4.643,33 4.874,34 3.879,35 3.915,36 5.588,37 3.785,38 4.492,39 4.685,40 3.794,41 3.799,42 5.543,43 3.716,44 4.459,45 4.649,46 3.674,47 3.686,48 5.614,49 3.608,50 4.363,51 4.568,52 3.375,53 3.512,54 5.501,55 3.393,56 0.03,57 0.662,58 8.149,59 3.906,60 5.112,61 4.692,62 0.354,63 1.114,64 18.493,65 6.338,66 24.167,67 7.823,68 0.351,69 1.299,70 24.536,71 8.213,72 23.556,73 10.476,74 0.378,75 1.367,76 27.797,77 9.718,78 35.723,79 11.895,80 0.412,81 1.307,82 30.573,83 9.626,84 31.806,85 11.812,86 0.228,87 1.12,88 21.592,89 7.492,90 21.223,91 9.083,92 0.411,93 1.027,94 20.909,95 6.615,96 46.612,97 7.622,98 0.435,99 0.854,100 19.693,101 6.672,102 52.723,103 8.011,104 5,105 38,106 0.3,107 0.635,108 0.764,109 0.796,110 0.807,111 0.807,112 3.23,113 0.979,114 -4.6,115 -4.52,116 -4.26,119 40.5,120 1,125 4,127 1,142 5,143 1,147 1,152 1,158 2,162 1,172 6,174 4,175 4,183 7,186 1,187 5,195 5,198 4,199 6,207 2,211 3,212 6,220 3,224 8,232 2,236 1,237 6,245 2,249 2,250 4,258 1,263 4,275 788,276 16.552,277 16.552,278 16.552,279 16.552,280 16.552,281 15.058,282 25.14,283 9.845,284 17.176,285 13.338,286 13.338,287 13.338,288 13.338,289 13.338,290 10.943,291 39.284,292 4.693,293 14.371,294 3.68,295 1.765,296 1.027,297 0.845,298 0.78,299 0.78,300 3.928,303 1,304 1,305 1,306 482,307 2.55,310 45.091,311 200.745,314 88.659,318 1.396,319 20.645,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 219,332 4.554,333 3.69,334 6.857,335 4.185,336 3.263,337 4.179,338 1.237,339 11.394,340 3.018,341 4.089,342 3.307,343 6.287,344 3.797,345 2.86,346 3.554,347 0.935,348 9.394,349 2.705,350 3.854,351 3.115,352 6.024,353 3.574,354 2.637,355 3.115,356 0.86,357 8.542,358 2.426,359 3.487,360 2.657,361 5.463,362 3.143,363 2.172,364 2.675,365 0.8,366 6.719,367 2.097,368 3.259,369 2.335,370 4.794,371 2.846,372 1.931,373 2.395,374 0.349,375 5.133,376 1.763,377 2.928,378 2.075,379 4.343,380 2.54,381 1.608,382 2.056,384 3.954,385 1.486,386 2.798,387 1.721,388 4.022,389 2.388,390 1.465,391 1.818,393 3.377,394 1.333,395 2.5,396 1.421,397 3.618,398 2,399 1,400 1.5,402 2.522,403 1,404 2.292,405 1.256,406 3.484,407 1.952,408 1,409 1.205,411 2.38,412 0.946,413 2.23,414 1.23,415 3.292,416 1.865,417 1,418 1.136,420 2.136,421 0.861,422 2.109,423 1,424 3.247,425 1.831,426 0.906,427 1,428 2.136,429 0.824,430 2,431 0.983,432 3.247,433 1.495,434 0.596,435 0.847,436 1.545,437 0.52,438 1.319,439 0.42,440 2.709,441 0.858,442 -0.12,443 -0.168,445 -0.287,446 -0.115,447 0.638,448 -0.332,449 2.399,450 0.257,451 -0.672,452 -0.717,454 -1.547,455 -0.619,456 0.5,457 -0.36,458 2.356,459 0.246,460 -0.752,461 -0.964,463 -1.612,464 -0.751,465 11.6,466 0.483,467 0.521,468 0.022,469 30.75,470 1.281,471 14,472 0.583,473 16.75,474 0.698,475 20.013,476 0.834,477 25.6,478 0.61,479 20.513,480 0.855,481 5.902,482 0.246,483 5.836,484 0.243,485 0.072,487 0.328,493 0.777,494 1.45,495 0.698,496 1.04,497 0.571,498 0.95,499 1.062,500 0.963,501 0.829,502 0.831,503 0.645,504 0.817,505 0.928,506 1.149,507 0.827,508 0.955,509 0.702,510 0.913,511 0.689,512 1.083,513 1.182,514 1.149,515 0.797,516 1.074,517 0.659,518 1.01,519 1.261,520 1.175,521 0.601,522 0.991,523 1.088,524 1.177,525 1.136,526 1.138,527 1.123,528 1.066,529 1.73,530 0.955,531 1.26,532 0.974,533 2.434,534 1.049,535 1.383,536 0.943,537 1.208,538 1.089,539 2.019,540 1.185,541 3.5,542 0.016,543 2.889,544 1.597,545 1.397,546 0.924,547 0.502,548 0.347,549 0.158,550 0.04,551 6206,552 16662,553 2.161,554 42.9,556 14,558 1,561 3,564 1.674,565 2.057,566 3.187,567 -0.699,568 1,569 1,571 1,573 71.932,574 1.713,575 3.627,576 4.366,577 4.547,578 4.612,579 4.612,580 2.657,581 4.085,582 4.555,583 3.287,584 907.324,585 7.886,586 10299.5,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.13,595 0.002,596 0.076,597 0.041,598 0.039,599 0.028,600 0.016,601 0.013,602 0.008,603 0.003,604 0.356,605 0.33,606 1,607 0.49,608 112.049,609 -0.025,610 -0.315,611 0.086,612 -0.08,613 -0.016,614 -0.032,615 0.016,616 0.143,617 0.097,618 0.117,619 0.046,620 0.086,621 -0.001,622 -0.118,623 0.134,624 0.019,625 0.024,626 0.042,627 0.086,628 -0.023,629 -0.075,630 -0.074,631 0.046,632 -0.087,633 0.095,634 0.04,635 -0.061,636 -0.058,637 0.019,638 0.017,639 -0.151,640 -0.125,641 -0.145,642 -0.144,643 -0.057,644 -0.118,645 -0.332,646 0.082,647 -0.281,648 -0.038,649 -0.331,650 -0.157,651 -0.033,652 -0.022,653 -0.25,654 -0.142,655 -0.093,656 -0.236,657 1.876,658 5.189,659 0.875,660 19.403,661 1.008,662 1.125,663 3.371,664 11.366,665 0.688,666 3.332,667 3.664,668 3.989,669 4.277,670 4.533,671 4.644,672 4.787,673 4.905,674 4.963,675 4.99,676 5.391,677 0.652,678 342.46,679 3.332,680 4.875,681 5.746,682 6.635,683 7.527,684 8.426,685 9.328,686 10.233,687 11.14,688 12.05,689 9.5,695 2,698 1,699 1,704 5,705 1,708 1,709 4,711 11,726 2,731 42,733 13,734 1,735 27,737 45,738 17,739 9,740 1,741 5,742 2,746 4,747 5,752 1,758 1,761 11,762 6,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 18,782 6,784 7,785 1,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 24,854 4,856 1,858 1,859 2,863 1,870 4.8,873 1,874 1,877 11.667,878 7.883,879 5.25,880 2.594,881 2.296,882 1.311,883 0.993,884 4.335,885 9.67,886 3.57,887 4.107,888 4.688,889 5.237,890 5.686,891 5.968,892 6.283,893 6.599,894 6.855,895 7.053,896 1,897 39,898 8.892,900 3.822,901 7.667,902 17.175,904 14.334,905 2.167,906 52,909 1,910 211.88,911 121.576,912 39.82,914 36.145,916 31.278,917 90.299,918 248.025,919 39.82,920 8.825,921 13.396,922 47.381,923 78.025,924 26.72,925 3.686,926 231.386,928 211.88,929 130.118,930 36.145,931 31.278,933 176.567,934 60.458,935 11,937 39.508,938 73.825,939 16.786,940 31.278,941 211.88,942 75.965,943 121.576,946 211.88,947 56.751,948 71.074,950 69.716,951 211.88,952 75.965,953 121.576,955 0.58,956 0.35,957 0.194,958 0.108,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.611,966 205.732,967 0.095,968 21,969 102.039,970 1,974 15.731,975 6.614,976 2.996,978 75.965,979 10.168,980 4.756,983 1.421,984 3.345,987 409.421,988 34.5,993 12.189,995 1.602,996 4.047,997 -0.21,999 42.323,1000 47.238,1001 0.318,1002 0.673,1003 0.81,1004 0.843,1005 0.855,1006 0.855,1007 4.818,1008 1,1009 5.727,1010 3.377,1011 4.344,1012 4.792,1013 2.117,1014 6.567,1015 4.201,1016 5.994,1017 1,1018 7.3,1019 2.522,1020 3.892,1021 4.443,1022 0.57,1023 7.522,1024 3.691,1025 7.286,1026 1,1027 8.981,1028 2.38,1029 5.953,1030 6.882,1031 2.108,1032 10.677,1033 5.671,1034 8.615,1035 0.906,1036 10.726,1037 2.136,1038 6.382,1039 7.429,1040 0.703,1041 12.488,1042 6.026,1043 9.983,1044 0.596,1045 12.512,1046 2.136,1047 7.883,1048 9.293,1049 2.273,1050 15.151,1051 7.457,1052 11.377,1053 -0.12,1054 14.326,1055 1.545,1056 8.708,1057 10.269,1058 0.812,1059 17.3,1060 8.2,1061 12.791,1062 -0.672,1063 16.159,1064 -0.287,1065 9.99,1066 11.887,1067 2.535,1068 19.8,1069 9.415,1070 3.263,1071 -0.752,1072 18.007,1073 -1.547,1074 10.998,1075 13.08,1076 0.985,1077 22.096,1078 10.338,1079 2.86,1080 11.394,1081 19.865,1082 -1.612,1083 12.197,1084 14.588,1085 2.856,1086 24.54,1087 11.467,1088 2.637,1089 9.394,1090 21.731,1091 4.179,1092 13.289,1093 15.891,1094 1.248,1095 26.903,1096 12.474,1097 2.172,1098 8.542,1099 23.604,1100 3.554,1101 14.46,1102 17.35,1103 3.213,1104 29.33,1105 13.571,1106 1.931,1107 6.719,1108 25.482,1109 3.115,1110 15.59,1111 18.711,1112 1.593,1113 31.725,1114 14.619,1115 1.608,1116 5.133,1117 27.366,1118 2.675,1119 16.755,1120 20.149,1121 3.591,1122 34.149,1123 15.707,1124 1.465,1125 3.954,1126 29.253,1127 2.395,1128 17.905,1129 21.539,1130 2.001,1131 36.561,1132 16.775,1133 5857,1134 9749,1135 18.493,1136 28.909,1137 41.617,1138 42.234,1139 41.798,1140 40.828,1141 40.874,1142 50.96,1143 8.362,1144 118.46,1145 37.959,1146 5.554,1147 5.69,1148 6.659,1149 5.328,1150 5.263,1151 7.179,1152 2.45,1153 18.912,1154 5.018,1155 8.272,1156 1.541,1157 1.564,1158 1.548,1159 1.512,1160 1.514,1161 1.887,1162 0.31,1163 4.387,1164 1.406,1165 4.015,1166 4.048,1167 4.273,1168 3.935,1169 7.431,1170 3.913,1171 3.873,1172 3.904,1173 3.849,1174 3.822,1175 4.87,1176 3.792,1177 3.715,1178 3.765,1179 3.613,1180 3.499,1181 4.733,1182 3.516,1183 3.395,1184 3.455,1185 3.435,1186 3.275,1187 4.604,1188 3.247,1189 3.246,1190 3.291,1191 3.194,1192 3.026,1193 4.415,1194 3.041,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.99,1200 2.91,1201 2.854,1202 2.925,1203 2.771,1204 2.735,1205 3.694,1206 2.715,1207 2.825,1208 2.881,1209 2.687,1210 2.602,1211 3.674,1212 2.578,1213 0.169,1214 0.137,1215 0.254,1216 0.155,1217 0.121,1218 4.554,1219 0.155,1220 3.69,1221 0.046,1222 6.857,1223 0.422,1224 4.185,1225 0.112,1226 3.263,1227 4.179,1228 1.237,1229 11.394,1230 3.018,1231 1.93,1232 1.899,1233 2.054,1234 2.032,1235 1.213,1236 2.039,1237 1.708,1238 1.659,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.662,1244 1.628,1245 1.765,1246 1.841,1247 0.875,1248 1.82,1249 1.36,1250 1.311,1251 1.557,1252 1.55,1253 0.825,1254 1.575,1255 1.153,1256 1.102,1257 1.513,1258 1.376,1259 0.666,1260 1.429,1261 1.128,1262 1.064,1263 1.181,1264 1.333,1265 0.37,1266 1.319,1267 0.886,1268 0.821,1269 1.153,1270 1.062,1271 0.222,1272 1.107,1273 0.851,1274 0.796,1275 1.1,1276 1.036,1277 0.218,1278 1.053,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.727,1285 8.494,1286 6.88,1287 10.169,1289 2.092,1295 2.989,1297 5.395,1299 0.057,1300 4.15,1305 27.39,1306 71.932,1307 152.338,1308 183.358,1309 190.968,1310 193.722,1311 193.722,1312 33.194,1313 7.374,1314 60.25,1315 88.49,1316 23,1317 12.566,1318 3.807,1319 3.087,1320 33.671,1321 76,1322 77,1323 0.219,1324 170.075,1325 293.03,1326 406.744,1327 14937,1329 16.518,1330 0.688,1331 0.592,1332 16.872,1333 14.2,1334 11.737,1335 0.435,1336 0.326,1337 7.925,1338 10.803,1339 7.688,1340 6.309,1341 12.145,1342 8.808,1343 10.433,1344 0.275,1345 0.178,1346 11.049,1347 6.77,1348 9.321,1349 0.176,1350 0.102,1351 10.211,1352 5.41,1353 7.828,1354 0.11,1355 0.055,1356 8.759,1357 3.918,1358 6.425,1359 0.07,1360 0.029,1361 7.303,1362 2.689,1363 0.332,1364 78.058,1365 0.233,1366 23.046,1367 0.634,1368 130,1369 388.912,1370 170.932,1371 390.044,1372 538.08,1373 368,1374 156,1375 381.635,1376 197.696,1377 399.351,1378 595.59,1379 376,1380 5.398}
{0 CHEMBL2089099,1 1.713,2 9.917,3 3.191,4 10.179,5 95.988,6 8.154,7 0.407,8 3.865,9 3.972,10 3.57,11 3.426,12 4.923,13 3.396,14 4.429,15 4.597,16 3.961,17 3.818,18 5.475,19 3.766,20 4.623,21 4.828,22 4,23 3.918,24 5.581,25 3.826,26 4.625,27 4.85,28 3.864,29 3.899,30 5.607,31 3.754,32 4.52,33 4.754,34 3.717,35 3.761,36 5.423,37 3.628,38 4.351,39 4.532,40 3.681,41 3.671,42 5.397,43 3.615,44 4.431,45 4.622,46 3.683,47 3.685,48 5.564,49 3.62,50 4.416,51 4.637,52 3.498,53 3.578,54 5.522,55 3.448,56 0.03,57 0.662,58 8.149,59 3.906,60 4.556,61 4.692,62 0.359,63 1.11,64 18.464,65 6.339,66 23.329,67 7.811,68 0.345,69 1.272,70 24.81,71 8.362,72 23.188,73 10.713,74 0.387,75 1.279,76 27.854,77 9.479,78 36.677,79 11.641,80 0.387,81 1.145,82 28.763,83 8.698,84 25.531,85 10.525,86 0.206,87 0.975,88 17.351,89 6.095,90 18.957,91 7.48,92 0.376,93 1.015,94 18.038,95 5.998,96 39.479,97 7.302,98 0.417,99 0.926,100 21.535,101 7.243,102 48.919,103 8.857,104 2,105 37,106 0.3,107 0.623,108 0.744,109 0.799,110 0.81,111 0.81,112 3.229,113 0.984,114 -4.6,115 -4.52,116 -4.26,119 40.5,121 1,125 5,142 5,143 1,147 1,152 1,158 2,162 1,172 7,174 4,175 3,183 8,186 1,187 4,195 5,198 4,199 4,207 1,211 3,212 5,220 1,224 7,232 1,236 1,237 6,245 2,249 2,250 6,258 2,263 5,271 1,275 836,276 16.706,277 16.706,278 16.706,279 16.706,280 16.706,281 15.188,282 23.855,283 10.088,284 17.332,285 13.37,286 13.37,287 13.37,288 13.37,289 13.37,290 10.938,291 33.471,292 4.845,293 14.402,294 3.68,295 1.831,296 1.14,297 0.827,298 0.762,299 0.762,300 3.932,303 1,304 1,305 1,306 526,307 2.345,310 46.294,311 206.46,314 90.835,318 1.59,319 20.384,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 238,332 4.53,333 3.665,334 6.734,335 4.121,336 3.209,337 4.17,338 1.229,339 10.997,340 2.933,341 3.907,342 3.152,343 6.071,344 3.617,345 2.713,346 3.445,347 0.86,348 8.788,349 2.523,350 3.864,351 2.971,352 5.612,353 3.52,354 2.526,355 3.118,356 0.858,357 7.27,358 2.429,359 3.483,360 2.687,361 5.328,362 3.203,363 2.247,364 2.616,365 0.8,366 6.859,367 2.133,368 3.231,369 2.366,370 4.732,371 2.825,372 1.926,373 2.332,374 0.168,375 5.096,376 1.719,377 2.918,378 2.08,379 4.299,380 2.509,381 1.562,382 2.081,384 3.873,385 1.493,386 2.799,387 1.622,388 3.762,389 2.42,390 1.485,391 1.82,393 3.168,394 1.354,395 2.5,396 1.47,397 3.599,398 2,399 1,400 1.5,402 2.522,403 1,404 2.235,405 1.256,406 3.484,407 1.952,408 1,409 1.148,411 2.337,412 0.946,413 2.222,414 1.246,415 3.247,416 1.858,417 1,418 1.118,420 2.136,421 0.852,422 2.065,423 1,424 3.247,425 1.777,426 0.87,427 1,428 2.136,429 0.777,430 2,431 0.977,432 3.126,433 1.491,434 0.577,435 0.789,436 1.421,437 0.514,438 1.414,439 0.443,440 2.688,441 0.981,447 0.704,448 -0.177,449 2.399,450 0.348,451 -0.63,452 -0.691,454 -1.431,455 -0.596,456 0.5,457 -0.36,458 2.356,459 0.253,460 -0.688,461 -0.841,463 -1.563,464 -0.658,465 11.6,466 0.483,467 0.448,468 0.019,469 30.75,470 1.281,471 14,472 0.583,473 16.75,474 0.698,475 19.174,476 0.799,477 25.6,478 0.61,479 19.813,480 0.826,481 5.959,482 0.248,483 5.851,484 0.244,485 0.029,487 0.284,493 0.777,494 1.45,495 0.698,496 1.04,497 0.544,498 0.95,499 1.08,500 0.946,501 0.866,502 0.849,503 0.65,504 0.854,505 0.893,506 1.164,507 0.846,508 0.999,509 0.712,510 0.967,511 0.685,512 1.031,513 1.203,514 1.146,515 0.838,516 1.069,517 0.672,518 1.047,519 1.385,520 1.281,521 0.6,522 1.015,523 1.196,524 1.187,525 1.03,526 1.049,527 1.274,528 1.024,529 1.595,530 0.941,531 1.027,532 0.822,533 2.181,534 1.005,535 1.135,536 0.966,537 1.128,538 1.061,539 1.513,540 1.098,541 3.5,542 0.021,543 2.444,544 0.972,545 1.202,546 0.799,547 0.332,548 0.241,549 0.211,550 0.086,551 6738,552 17982,553 2.187,554 42.9,556 15,558 1,561 2,564 1.67,565 2.118,566 3.289,567 -0.699,568 1,569 1,571 1,573 71.932,574 1.713,575 3.562,576 4.252,577 4.565,578 4.63,579 4.63,580 2.736,581 4.085,582 4.553,583 3.424,584 945.11,585 7.866,586 11028.3,587 1,588 1,590 1,591 226.477,592 1.099,593 4.546,594 0.13,595 0.002,596 0.066,597 0.027,598 0.039,599 0.029,600 0.011,601 0.009,602 0.01,603 0.006,604 0.328,605 0.17,606 1,607 0.382,608 113.726,609 -0.025,610 -0.315,611 0.086,612 -0.08,613 0.008,614 -0.032,615 -0.002,616 0.159,617 0.059,618 0.099,619 0.039,620 0.049,621 0.018,622 -0.155,623 0.125,624 -0.018,625 0.019,626 0.001,627 0.105,628 0.004,629 -0.053,630 -0.056,631 0.04,632 -0.067,633 0.121,634 0.003,635 -0.106,636 -0.121,637 0.04,638 0.003,639 -0.188,640 -0.133,641 -0.152,642 -0.129,643 -0.115,644 -0.106,645 -0.301,646 0.099,647 -0.201,648 0.018,649 -0.337,650 -0.131,651 0.053,652 -0.031,653 -0.106,654 -0.074,655 0.033,656 -0.124,657 1.863,658 5.104,659 0.875,660 21.736,661 1.008,662 1.125,663 3.371,664 11.366,665 0.688,666 3.332,667 3.638,668 3.932,669 4.205,670 4.454,671 4.533,672 4.654,673 4.804,674 4.875,675 4.898,676 5.848,677 0.652,678 342.46,679 3.332,680 4.86,681 5.714,682 6.586,683 7.461,684 8.345,685 9.23,686 10.121,687 11.013,688 11.909,689 9.5,695 2,698 1,699 1,704 5,705 1,708 1,709 4,711 11,726 2,731 42,733 13,734 1,735 27,737 45,738 17,739 9,740 1,741 5,742 2,746 4,747 5,758 1,761 11,762 6,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 18,782 6,784 7,785 1,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,848 24,854 6,856 1,859 2,863 1,870 4.8,873 1,874 1,877 11.333,878 7.55,879 5.278,880 2.586,881 2.296,882 1.311,883 1.004,884 4.585,885 9.67,886 3.57,887 4.09,888 4.65,889 5.18,890 5.604,891 5.829,892 6.073,893 6.39,894 6.616,895 6.781,896 0.857,897 36,898 8.893,900 3.799,901 7.653,902 17.235,904 14.315,905 2.153,906 51.667,909 1,910 211.88,911 117.391,912 39.82,914 36.145,916 31.278,917 86.114,918 248.025,919 39.82,921 18.036,922 47.381,923 78.025,924 26.72,925 3.686,926 231.386,928 211.88,929 125.933,930 36.145,931 31.278,933 188.338,934 48.687,935 11,937 35.323,938 73.825,939 16.786,940 31.278,941 211.88,942 75.965,943 117.391,946 211.88,947 61.391,948 62.248,950 69.716,951 211.88,952 75.965,953 117.391,955 0.574,956 0.336,957 0.185,958 0.104,959 19,960 7,961 0.089,962 4,963 1,964 1.095,965 3.737,966 198.735,967 0.095,968 21,969 102.039,970 1,974 15.731,975 6.995,976 3.38,978 75.965,979 10.292,980 4.721,983 1.43,984 3.504,987 405.236,988 34.5,993 12.104,995 1.608,996 4.013,997 -0.196,999 42.323,1000 47.238,1001 0.318,1002 0.66,1003 0.789,1004 0.847,1005 0.859,1006 0.859,1007 4.802,1008 1,1009 5.673,1010 3.168,1011 4.317,1012 4.775,1013 2.049,1014 6.469,1015 4.174,1016 5.964,1017 1,1018 7.215,1019 2.522,1020 3.761,1021 4.369,1022 0.57,1023 7.334,1024 3.546,1025 7.243,1026 1,1027 8.861,1028 2.337,1029 5.883,1030 6.85,1031 2.046,1032 10.466,1033 5.594,1034 8.558,1035 0.87,1036 10.573,1037 2.136,1038 6.217,1039 7.36,1040 0.612,1041 12.221,1042 5.831,1043 9.913,1044 0.577,1045 12.328,1046 2.136,1047 7.754,1048 9.248,1049 2.217,1050 14.853,1051 7.305,1052 11.295,1054 14.113,1055 1.421,1056 8.509,1057 10.201,1058 0.644,1059 16.967,1060 7.95,1061 12.699,1062 -0.63,1063 15.92,1065 9.806,1066 11.833,1067 2.482,1068 19.436,1069 9.181,1070 3.209,1071 -0.688,1072 17.743,1073 -1.431,1074 10.767,1075 13.013,1076 0.759,1077 21.706,1078 10.029,1079 2.713,1080 10.997,1081 19.579,1082 -1.563,1083 11.967,1084 14.529,1085 2.804,1086 24.12,1087 11.154,1088 2.526,1089 8.788,1090 21.425,1091 4.17,1092 13.029,1093 15.827,1094 0.979,1095 26.458,1096 12.106,1097 2.247,1098 7.27,1099 23.279,1100 3.445,1101 14.193,1102 17.29,1103 3.159,1104 28.855,1105 13.188,1106 1.926,1107 6.859,1108 25.14,1109 3.118,1110 15.304,1111 18.649,1112 1.296,1113 31.224,1114 14.193,1115 1.562,1116 5.096,1117 27.007,1118 2.616,1119 16.459,1120 20.089,1121 3.532,1122 33.617,1123 15.259,1124 1.485,1125 3.873,1126 28.879,1127 2.332,1128 17.593,1129 21.479,1130 1.682,1131 36,1132 16.293,1133 6304,1134 10457,1135 18.781,1136 28.909,1137 41.116,1138 41.684,1139 40.703,1140 40.281,1141 40.231,1142 50.274,1143 7.831,1144 113.205,1145 37.345,1146 5.53,1147 5.665,1148 6.536,1149 5.263,1150 5.209,1151 7.17,1152 2.442,1153 18.156,1154 4.933,1155 6.017,1156 1.523,1157 1.544,1158 1.508,1159 1.492,1160 1.49,1161 1.862,1162 0.29,1163 4.193,1164 1.383,1165 3.999,1166 4.033,1167 4.272,1168 3.919,1169 7.431,1170 3.893,1171 3.89,1172 3.921,1173 3.839,1174 3.838,1175 4.86,1176 3.813,1177 3.722,1178 3.775,1179 3.617,1180 3.501,1181 4.743,1182 3.519,1183 3.396,1184 3.451,1185 3.448,1186 3.277,1187 4.606,1188 3.248,1189 3.244,1190 3.288,1191 3.194,1192 3.034,1193 4.417,1194 3.046,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.905,1200 2.91,1201 2.887,1202 2.927,1203 2.839,1204 2.735,1205 3.696,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.678,1211 3.674,1212 2.7,1213 0.168,1214 0.136,1215 0.249,1216 0.153,1217 0.119,1218 4.53,1219 0.154,1220 3.665,1221 0.046,1222 6.734,1223 0.407,1224 4.121,1225 0.109,1226 3.209,1227 4.17,1228 1.229,1229 10.997,1230 2.933,1231 1.923,1232 1.892,1233 2.057,1234 2.019,1235 1.24,1236 2.032,1237 1.708,1238 1.663,1239 1.911,1240 1.951,1241 1.199,1242 1.944,1243 1.683,1244 1.641,1245 1.778,1246 1.874,1247 0.931,1248 1.851,1249 1.35,1250 1.308,1251 1.518,1252 1.526,1253 0.825,1254 1.542,1255 1.153,1256 1.105,1257 1.513,1258 1.376,1259 0.674,1260 1.429,1261 1.129,1262 1.064,1263 1.181,1264 1.331,1265 0.379,1266 1.317,1267 0.886,1268 0.821,1269 1.153,1270 1.062,1271 0.232,1272 1.107,1273 0.859,1274 0.804,1275 1.073,1276 1.049,1277 0.218,1278 1.055,1279 4.007,1281 5.313,1282 2.398,1283 6.823,1284 4.727,1285 8.424,1286 6.88,1287 10.073,1295 4.653,1297 5.386,1300 4.152,1305 27.39,1306 71.932,1307 149.583,1308 178.603,1309 191.722,1310 194.477,1311 194.477,1312 31.938,1313 7.374,1314 60.25,1315 88.49,1316 23,1317 12.435,1318 3.807,1319 3.087,1320 33.81,1321 82,1322 86,1323 0.2,1324 170.075,1325 293.03,1326 406.744,1327 15762,1329 16.355,1330 0.681,1331 0.585,1332 16.709,1333 14.037,1334 11.81,1335 0.437,1336 0.328,1337 7.969,1338 10.873,1339 7.774,1340 6.359,1341 12.218,1342 8.854,1343 10.353,1344 0.28,1345 0.181,1346 10.969,1347 6.705,1348 9.016,1349 0.18,1350 0.105,1351 9.906,1352 5.238,1353 7.521,1354 0.114,1355 0.058,1356 8.461,1357 3.839,1358 6.252,1359 0.074,1360 0.031,1361 7.113,1362 2.655,1363 0.309,1364 78.53,1365 0.231,1366 23.425,1367 0.558,1368 128,1369 386.912,1370 168.599,1371 387.777,1372 532.28,1373 366,1374 151,1375 373.283,1376 192.363,1377 391.186,1378 580.54,1379 368,1380 5.699}
{0 CHEMBL2089100,1 1.885,2 9.208,3 3.534,4 12.487,5 96.039,6 9.304,7 0.407,8 3.809,9 3.905,10 3.617,11 3.396,12 4.911,13 3.372,14 4.367,15 4.519,16 4.041,17 3.797,18 5.475,19 3.755,20 4.55,21 4.725,22 4.131,23 3.913,24 5.601,25 3.832,26 4.571,27 4.774,28 3.992,29 3.886,30 5.653,31 3.756,32 4.4,33 4.591,34 3.863,35 3.754,36 5.426,37 3.644,38 4.299,39 4.453,40 3.92,41 3.685,42 5.496,43 3.648,44 4.352,45 4.514,46 3.918,47 3.691,48 5.543,49 3.603,50 4.294,51 4.504,52 3.519,53 3.4,54 5.55,55 3.301,56 0.08,57 0.612,58 5.496,59 3.457,60 6.012,61 3.796,62 0.413,63 1.033,64 14.76,65 5.82,66 24.215,67 6.304,68 0.42,69 1.163,70 21.546,71 7.962,72 25.766,73 9.057,74 0.56,75 1.177,76 30.476,77 9.128,78 44.893,79 10.098,80 0.395,81 1.026,82 26.288,83 8.223,84 23.464,85 8.854,86 0.36,87 0.892,88 14.549,89 5.304,90 28.98,91 5.72,92 0.401,93 0.913,94 18.835,95 6.381,96 36.935,97 6.375,98 0.601,99 0.765,100 20.324,101 6.487,102 64.875,103 7.15,104 5,105 38,106 0.335,107 0.68,108 0.793,109 0.83,110 0.839,111 0.839,112 3.229,113 0.982,114 -4.87,115 -4.78,116 -4.48,119 41,125 5,142 4,143 1,144 1,147 1,152 1,158 2,162 1,172 4,174 4,175 3,183 6,186 1,187 4,195 4,198 4,199 5,207 1,211 3,212 4,220 1,224 8,232 1,236 1,237 4,245 3,249 2,250 6,258 1,263 3,275 796,276 16.499,277 16.499,278 16.499,279 16.499,280 16.499,281 14.928,282 24.434,283 9.785,284 17.226,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 10.849,291 35.985,292 4.676,293 14.609,294 3.4,295 1.457,296 0.821,297 0.615,298 0.564,299 0.564,300 3.929,301 1,303 1,304 1,305 1,306 486,307 2.236,310 44.798,311 199.234,314 87.709,318 1.476,319 23.915,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.333,331 221,332 4.534,333 3.67,334 6.739,335 4.13,336 3.216,337 4.173,338 1.237,339 11.022,340 2.943,341 4.166,342 3.253,343 6.099,344 3.75,345 2.819,346 3.775,347 0.935,348 8.901,349 2.612,350 3.868,351 3.132,352 6.022,353 3.594,354 2.68,355 3.116,356 0.86,357 8.563,358 2.427,359 3.47,360 2.903,361 5.569,362 3.172,363 2.226,364 2.61,365 0.8,366 7.043,367 2.091,368 3.228,369 2.379,370 4.739,371 2.818,372 1.923,373 2.335,374 0.349,375 5.103,376 1.704,377 2.883,378 2.108,379 4.318,380 2.472,381 1.561,382 2.047,384 3.954,385 1.432,386 2.826,387 1.916,388 4.144,389 2.383,390 1.42,391 1.943,393 3.646,394 1.335,395 2.798,396 1.54,397 3.687,398 2.33,399 1.414,400 1.817,402 2.975,403 1.227,404 2.231,405 1.42,406 3.588,407 1.952,408 1,409 1.139,411 2.521,412 0.946,413 2.173,414 1.256,415 3.484,416 1.854,417 1,418 1.028,420 2.136,421 0.847,422 2,423 1.225,424 3.247,425 1.581,426 0.733,427 1,428 2.124,429 0.607,430 1.909,431 0.824,432 2.999,433 1.315,434 0.357,435 0.505,436 0.845,437 0.329,438 1.238,439 0.481,440 2.583,441 0.796,442 -0.103,443 -0.135,445 -0.231,446 -0.079,447 0.714,448 -0.063,449 2.388,450 0.271,451 -0.63,452 -0.69,454 -1.501,455 -0.519,456 0.452,457 -0.36,458 2.325,459 0.241,460 -0.687,461 -0.844,463 -1.606,464 -0.626,465 11.814,466 0.492,467 0.538,468 0.022,469 31,470 1.292,471 14,472 0.583,473 17,474 0.708,475 19.72,476 0.822,477 25.386,478 0.651,479 20.418,480 0.851,481 6.022,482 0.251,483 5.698,484 0.237,485 0.089,487 0.322,493 0.749,494 1.446,495 0.583,496 0.944,497 0.536,498 0.872,499 1.035,500 0.908,501 0.727,502 0.741,503 0.636,504 0.754,505 0.922,506 1.238,507 0.842,508 0.997,509 0.74,510 0.965,511 0.859,512 0.946,513 1.335,514 1.148,515 0.937,516 1.047,517 0.675,518 1.145,519 1.271,520 1.34,521 0.602,522 1.031,523 1.181,524 1.048,525 0.885,526 0.849,527 1.282,528 0.898,529 1.338,530 1.062,531 0.933,532 0.949,533 1.835,534 1.07,535 1.104,536 0.841,537 0.907,538 0.988,539 1.698,540 1.035,541 4,542 0.033,543 2.889,544 1.285,545 1.473,546 0.774,547 0.467,548 0.385,549 0.186,550 0.064,551 6338,552 20020,553 2.161,554 38.5,556 14,558 1,564 1.673,565 2.057,566 3.192,567 -0.658,569 1,573 73.527,574 1.885,575 3.828,576 4.465,577 4.67,578 4.721,579 4.721,580 2.642,581 4.252,582 4.556,583 3.319,584 915.967,585 7.882,586 10514,587 1,588 1,589 1,590 1,591 206.131,592 1.281,593 4.532,594 0.148,595 0.003,596 0.076,597 0.034,598 0.045,599 0.025,600 0.014,601 0.014,602 0.01,603 0.005,604 0.374,605 0.33,606 1,607 0.49,608 112.574,609 -0.055,610 -0.33,611 0.044,612 -0.079,613 -0.009,614 -0.038,615 -0.058,616 0.202,617 0.053,618 0.161,619 0.025,620 0.105,621 -0.026,622 -0.231,623 0.082,624 -0.03,625 0.009,626 -0.013,627 0.019,628 0.096,629 -0.152,630 -0.054,631 -0.012,632 -0.047,633 0.094,634 -0.072,635 -0.129,636 -0.167,637 0.053,638 -0.015,639 -0.156,640 0.012,641 -0.043,642 -0.009,643 -0.103,644 -0.042,645 -0.225,646 -0.024,647 -0.035,648 -0.008,649 -0.266,650 -0.178,651 0.17,652 0.053,653 0.009,654 -0.028,655 0.118,656 -0.045,657 1.905,658 5.123,659 0.875,660 19.833,661 1.02,662 1.122,663 3.639,664 13.245,665 0.718,666 3.332,667 3.664,668 3.97,669 4.248,670 4.511,671 4.605,672 4.745,673 4.913,674 4.97,675 4.99,676 5.517,677 0.684,678 362.87,679 3.332,680 4.875,681 5.74,682 6.624,683 7.509,684 8.402,685 9.297,686 10.195,687 11.095,688 11.997,689 10.3,695 2,698 1,699 1,704 4,705 1,708 1,709 5,711 11,726 2,730 1,731 39,733 13,734 1,735 27,737 42,738 16,739 9,740 2,741 4,742 2,746 4,747 5,748 1,761 11,762 5,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 15,782 6,784 8,785 2,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,845 1,848 24,854 5,856 1,859 2,863 1,869 1,870 5.1,873 1,874 1,877 11.667,878 7.11,879 5.222,880 2.323,881 2.397,882 1.323,883 1.008,884 4.524,885 9.818,886 3.57,887 4.123,888 4.697,889 5.231,890 5.681,891 5.95,892 6.239,893 6.615,894 6.866,895 7.069,896 1,897 38,898 8.876,900 3.832,901 7.748,902 16.979,904 14.13,905 2.248,906 53.944,910 176.567,911 108.881,912 39.82,913 39.149,914 36.145,916 31.278,917 77.603,918 251.86,919 39.82,921 15.502,922 37.905,923 78.025,924 30.221,925 3.686,926 196.073,927 39.149,928 176.567,929 117.423,930 36.145,931 70.426,933 176.567,934 25.145,935 11,937 32.788,938 67.849,939 55.934,940 31.278,941 176.567,942 75.965,943 148.03,946 176.567,947 62.357,948 52.772,950 108.865,951 176.567,952 75.965,953 148.03,955 0.582,956 0.346,957 0.188,958 0.106,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.64,966 203.725,967 0.095,968 21,969 106.039,970 1,974 16.001,975 6.786,976 3.216,978 75.965,979 7.644,980 4.692,983 1.39,984 3.721,987 400.561,988 34.5,993 12.123,995 1.539,996 3.983,997 -0.239,999 39.764,1000 43.767,1001 0.357,1002 0.724,1003 0.845,1004 0.884,1005 0.893,1006 0.893,1007 4.818,1008 1.414,1009 5.72,1010 3.646,1011 4.344,1012 4.808,1013 2.117,1014 6.544,1015 4.168,1016 6.002,1017 1,1018 7.284,1019 2.975,1020 3.892,1021 4.527,1022 0.57,1023 7.455,1024 3.613,1025 7.298,1026 1,1027 8.951,1028 2.521,1029 5.943,1030 6.927,1031 2.108,1032 10.585,1033 5.605,1034 8.631,1035 0.733,1036 10.68,1037 2.136,1038 6.347,1039 7.528,1040 0.703,1041 12.345,1042 5.894,1043 10.001,1044 0.357,1045 12.448,1046 2.124,1047 7.846,1048 9.365,1049 2.273,1050 14.977,1051 7.339,1052 11.396,1053 -0.103,1054 14.242,1055 0.845,1056 8.643,1057 10.379,1058 0.812,1059 17.081,1060 8.021,1061 12.811,1062 -0.63,1063 16.055,1064 -0.231,1065 9.92,1066 11.981,1067 2.535,1068 19.546,1069 9.237,1070 3.216,1071 -0.687,1072 17.882,1073 -1.501,1074 10.902,1075 13.194,1076 0.985,1077 21.803,1078 10.11,1079 2.819,1080 11.022,1081 19.72,1082 -1.606,1083 12.091,1084 14.692,1085 2.856,1086 24.21,1087 11.229,1088 2.68,1089 8.901,1090 21.566,1091 4.173,1092 13.16,1093 16.004,1094 1.248,1095 26.538,1096 12.196,1097 2.226,1098 8.563,1099 23.418,1100 3.775,1101 14.318,1102 17.454,1103 3.213,1104 28.929,1105 13.275,1106 1.923,1107 7.043,1108 25.276,1109 3.116,1110 15.428,1111 18.815,1112 1.593,1113 31.291,1114 14.289,1115 1.561,1116 5.103,1117 27.139,1118 2.61,1119 16.577,1120 20.245,1121 3.591,1122 33.68,1123 15.355,1124 1.42,1125 3.954,1126 29.007,1127 2.335,1128 17.709,1129 21.632,1130 2.001,1131 36.059,1132 16.393,1133 5978,1134 10760,1135 18.493,1136 28.006,1137 41.504,1138 42.524,1139 41.714,1140 40.835,1141 40.697,1142 50.98,1143 8.362,1144 117.666,1145 36.997,1146 5.534,1147 5.67,1148 6.541,1149 5.273,1150 5.216,1151 7.173,1152 2.45,1153 18.216,1154 4.943,1155 8.554,1156 1.537,1157 1.575,1158 1.545,1159 1.512,1160 1.507,1161 1.888,1162 0.31,1163 4.358,1164 1.37,1165 4.006,1166 4.037,1167 4.273,1168 3.93,1169 7.431,1170 3.907,1171 3.874,1172 3.899,1173 4.003,1174 3.829,1175 4.944,1176 3.798,1177 3.714,1178 3.763,1179 3.615,1180 3.496,1181 4.836,1182 3.514,1183 3.3,1184 3.346,1185 3.429,1186 3.159,1187 4.605,1188 3.136,1189 3.168,1190 3.215,1191 3.293,1192 2.953,1193 4.416,1194 2.976,1195 3.111,1196 3.206,1197 3.089,1198 2.941,1199 4.339,1200 2.91,1201 2.879,1202 2.922,1203 2.866,1204 2.796,1205 3.796,1206 2.769,1207 2.782,1208 2.843,1209 2.715,1210 2.559,1211 3.679,1212 2.585,1213 0.168,1214 0.136,1215 0.25,1216 0.153,1217 0.119,1218 4.534,1219 0.155,1220 3.67,1221 0.046,1222 6.739,1223 0.408,1224 4.13,1225 0.109,1226 3.216,1227 4.173,1228 1.237,1229 11.022,1230 2.943,1231 1.91,1232 1.886,1233 2.007,1234 2.005,1235 1.199,1236 2.01,1237 1.708,1238 1.658,1239 1.911,1240 1.95,1241 1.168,1242 1.944,1243 1.651,1244 1.62,1245 1.699,1246 1.832,1247 0.825,1248 1.807,1249 1.209,1250 1.188,1251 1.513,1252 1.386,1253 0.819,1254 1.429,1255 1.153,1256 1.064,1257 1.356,1258 1.376,1259 0.557,1260 1.388,1261 1.07,1262 1.023,1263 1.151,1264 1.291,1265 0.343,1266 1.284,1267 0.868,1268 0.824,1269 1.105,1270 1.02,1271 0.172,1272 1.062,1273 0.845,1274 0.793,1275 0.961,1276 1.015,1277 0.104,1278 1.024,1279 4.007,1281 5.333,1282 2.398,1283 6.862,1284 4.727,1285 8.481,1286 6.88,1287 10.146,1290 6.248,1295 3.448,1297 5.376,1300 4.02,1305 26.691,1306 73.527,1307 149.302,1308 174.131,1309 182.131,1310 184.131,1311 184.131,1312 34.031,1313 7.421,1314 60.25,1315 88.49,1316 23,1317 12.518,1318 3.807,1319 3.087,1320 33.712,1321 78,1322 77,1323 0.212,1324 168.816,1325 290.94,1326 403.671,1327 16208,1328 2.6,1329 16.518,1330 0.688,1331 0.599,1332 17.372,1333 14.386,1334 11.72,1335 0.434,1336 0.327,1337 7.605,1338 10.495,1339 7.381,1340 6.014,1341 12.417,1342 8.837,1343 10.53,1344 0.277,1345 0.182,1346 11.516,1347 6.902,1348 9.24,1349 0.178,1350 0.104,1351 10.51,1352 5.421,1353 7.662,1354 0.111,1355 0.057,1356 8.855,1357 3.902,1358 6.429,1359 0.071,1360 0.03,1361 7.502,1362 2.69,1363 0.325,1364 81.17,1365 0.233,1366 23.133,1367 0.608,1368 130,1369 417.115,1370 186.118,1371 445.82,1372 598.57,1373 418,1374 155,1375 397.146,1376 208.24,1377 425.148,1378 632.48,1379 399,1380 5.602}
{0 CHEMBL2089101,1 2.02,2 8.565,3 2.99,4 8.942,5 94.996,6 10.247,7 0.385,8 3.747,9 3.83,10 3.673,11 3.381,12 4.846,13 3.332,14 4.309,15 4.45,16 4.158,17 3.793,18 5.419,19 3.721,20 4.443,21 4.609,22 4.102,23 3.821,24 5.505,25 3.735,26 4.479,27 4.673,28 3.952,29 3.811,30 5.57,31 3.676,32 4.286,33 4.456,34 3.895,35 3.716,36 5.338,37 3.594,38 4.207,39 4.338,40 3.986,41 3.644,42 5.426,43 3.585,44 4.215,45 4.358,46 3.993,47 3.639,48 5.416,49 3.504,50 4.151,51 4.356,52 3.484,53 3.204,54 5.445,55 3.121,56 0.106,57 0.585,58 3.685,59 3.283,60 6.241,61 3.249,62 0.449,63 1.007,64 16.826,65 6.202,66 23.56,67 5.527,68 0.437,69 1.079,70 17.044,71 7.412,72 22.837,73 7.513,74 0.583,75 1.132,76 30.374,77 8.939,78 43.351,79 8.803,80 0.371,81 0.959,82 22.204,83 7.821,84 19.623,85 7.615,86 0.38,87 0.857,88 12.786,89 5.181,90 27.728,91 4.613,92 0.405,93 0.821,94 17.632,95 6.513,96 34.813,97 5.258,98 0.607,99 0.662,100 17.668,101 5.888,102 61.921,103 5.901,104 5,105 37,106 0.366,107 0.715,108 0.825,109 0.825,110 0.825,111 0.825,112 3.189,113 1.062,114 -4.46,115 -4.39,116 -4.13,119 38.9,125 5,142 1,143 1,147 1,151 1,152 1,153 1,158 2,162 1,172 1,174 4,175 3,183 4,186 1,187 4,195 1,198 4,199 4,211 3,212 3,220 1,224 6,232 1,236 1,237 2,245 2,249 2,250 4,263 1,275 704,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 14.351,282 24.434,283 9.285,284 16.769,285 12.848,286 12.848,287 12.848,288 12.848,289 12.848,290 10.516,291 35.985,292 4.429,293 14.501,294 3.15,295 1.222,296 0.611,297 0.611,298 0.611,299 0.611,300 3.887,302 1,303 1,304 1,305 1,306 435,307 2.236,310 99.618,311 122.316,314 83.736,318 1.459,319 23.627,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 50.333,331 197,332 4.534,333 3.67,334 6.739,335 4.13,336 3.217,337 4.173,338 1.237,339 11.022,340 2.941,341 4.191,342 3.264,343 6.103,344 3.73,345 2.837,346 3.815,347 0.935,348 8.912,349 2.538,350 3.868,351 3.134,352 6.029,353 3.59,354 2.684,355 3.116,356 0.86,357 8.586,358 2.425,359 3.468,360 2.906,361 5.57,362 3.161,363 2.227,364 2.606,365 0.8,366 7.05,367 2.065,368 3.225,369 2.378,370 4.739,371 2.81,372 1.922,373 2.324,374 0.349,375 5.102,376 1.684,377 2.799,378 2.103,379 4.312,380 2.434,381 1.551,382 1.822,384 3.912,385 1.357,386 2.649,387 1.88,388 4.078,389 2.088,390 1.288,391 1.682,393 3.435,394 0.986,395 2.555,396 1.459,397 3.665,398 1.979,399 1.112,400 1.577,402 2.521,403 0.946,404 2.231,405 1.281,406 3.484,407 1.952,408 1,409 1.139,411 2.423,412 0.886,413 2.164,414 1.256,415 3.411,416 1.854,417 1,418 1.004,420 2.136,421 0.846,422 2,423 1.197,424 3.247,425 1.552,426 0.708,427 1,428 2.04,429 0.582,430 1.844,431 0.751,432 2.947,433 1.204,434 0.253,435 0.375,436 0.608,437 0.234,438 0.875,439 0.119,440 2.537,441 0.483,442 -0.396,443 -0.49,445 -0.941,446 -0.287,447 0.447,448 -0.168,449 2.385,450 0.254,451 -0.671,452 -0.717,454 -1.543,455 -0.594,456 0.379,457 -0.36,458 2.309,459 -0.094,460 -0.898,461 -1,463 -2.244,464 -0.67,465 11.648,466 0.506,467 0.538,468 0.023,469 28.5,470 1.239,471 12,472 0.522,473 16.5,474 0.717,475 20.25,476 0.88,477 24.352,478 0.676,479 17.442,480 0.758,481 5.299,482 0.23,483 5.922,484 0.257,485 0.09,487 0.326,493 0.769,494 1.382,495 0.599,496 0.855,497 0.527,498 0.823,499 1.038,500 0.86,501 0.691,502 0.698,503 0.63,504 0.694,505 0.93,506 1.238,507 0.738,508 0.906,509 0.725,510 0.946,511 0.863,512 0.93,513 1.267,514 1.122,515 0.945,516 1.051,517 0.615,518 1.098,519 1.087,520 1.196,521 0.575,522 1.003,523 1.197,524 1.117,525 0.951,526 0.949,527 1.339,528 0.94,529 1.366,530 0.954,531 0.839,532 0.828,533 1.939,534 1.05,535 1.085,536 0.833,537 0.708,538 0.885,539 1.826,540 1.01,541 4,542 0.032,543 2.889,544 1.354,545 1.246,546 0.767,547 0.461,548 0.328,549 0.161,550 0.054,551 5650,552 19714,553 2.168,554 36.1,556 11,557 1,558 1,564 1.661,565 2.06,566 3.103,567 -0.601,568 1,569 1,573 72.709,574 2.02,575 3.948,576 4.559,577 4.559,578 4.559,579 4.559,580 2.562,581 4.176,582 4.494,583 3.257,584 823.939,585 7.758,586 9154.86,587 1,588 1,589 1,590 1,591 186.117,592 1.302,593 4.469,594 0.154,595 0.004,596 0.078,597 0.039,598 0.04,599 0.026,600 0.015,601 0.013,602 0.01,603 0.005,604 0.383,605 0.33,606 1,607 0.503,608 106.037,609 -0.08,610 -0.306,611 0.035,612 -0.037,613 -0.005,614 -0.03,615 -0.074,616 0.236,617 0.115,618 0.21,619 0.026,620 0.156,621 -0.038,622 -0.259,623 0.074,624 -0.03,625 0.024,626 -0.019,627 0.001,628 0.103,629 -0.2,630 -0.096,631 -0.026,632 -0.055,633 0.116,634 -0.048,635 -0.095,636 -0.123,637 0.064,638 -0.004,639 -0.176,640 -0.062,641 -0.079,642 -0.082,643 -0.133,644 -0.104,645 -0.244,646 0.048,647 0.068,648 0.119,649 -0.292,650 -0.153,651 0.257,652 -0.006,653 0.131,654 -0.018,655 0.126,656 -0.003,657 1.898,658 5.075,659 0.87,660 18.548,661 1.027,662 1.119,663 3.226,664 10.41,665 0.747,666 3.296,667 3.638,668 3.951,669 4.234,670 4.443,671 4.575,672 4.727,673 4.89,674 4.934,675 4.942,676 5.318,677 0.704,678 368.9,679 3.296,680 4.844,681 5.714,682 6.603,683 7.492,684 8.388,685 9.286,686 10.187,687 11.089,688 11.993,689 11.1,695 2,698 1,699 1,704 2,705 1,708 2,709 5,711 10,726 2,730 1,731 36,733 12,735 26,737 39,738 14,739 7,742 2,746 4,747 5,748 1,761 9,762 5,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 13,782 6,784 9,785 3,790 4,791 1,794 0.75,795 2,811 2,812 2,815 1,839 1,840 3,842 2,845 1,848 23,854 5,856 1,859 2,863 1,865 1,869 1,870 5.6,873 1,874 1,877 11.167,878 6.61,879 4.972,880 2.115,881 2.137,882 1.292,883 1.014,884 4.453,885 9.454,886 3.526,887 4.086,888 4.666,889 5.203,890 5.512,891 5.882,892 6.204,893 6.577,894 6.795,895 6.962,896 0.833,897 35,898 8.512,900 3.698,901 7.751,902 16.303,904 13.677,905 2.251,906 51.778,910 153.024,911 117.552,912 39.82,913 39.149,914 36.145,916 62.555,917 54.997,918 228.318,919 39.82,921 15.502,922 17.125,923 78.025,924 28.394,925 54.606,926 192.037,928 153.024,929 94.816,930 36.145,931 101.704,933 153.024,934 25.145,935 11,937 34.462,938 43.569,939 16.786,940 101.704,941 153.024,942 75.965,943 156.701,946 153.024,947 91.808,948 31.993,950 108.865,951 153.024,952 75.965,953 156.701,955 0.586,956 0.349,957 0.189,958 0.1,959 20,960 8,961 0.077,962 3,963 1,964 1.1,965 3.559,966 193.098,967 0.1,968 20,969 100.042,970 2,974 15.633,975 6.551,976 3.073,978 75.965,979 3.928,980 4.68,983 2.885,984 3.85,987 385.689,988 33,993 12.075,995 1.543,996 3.971,997 -0.232,999 36.956,1000 40.272,1001 0.391,1002 0.764,1003 0.882,1004 0.882,1005 0.882,1006 0.882,1007 4.783,1008 1.112,1009 5.7,1010 3.435,1011 4.317,1012 4.771,1013 2.117,1014 6.532,1015 4.096,1016 5.971,1017 1,1018 7.27,1019 2.521,1020 3.892,1021 4.527,1022 0.57,1023 7.455,1024 3.594,1025 7.272,1026 1,1027 8.942,1028 2.423,1029 5.927,1030 6.896,1031 2.108,1032 10.583,1033 5.524,1034 8.611,1035 0.708,1036 10.674,1037 2.136,1038 6.365,1039 7.568,1040 0.703,1041 12.351,1042 5.876,1043 9.988,1044 0.253,1045 12.445,1046 2.04,1047 7.843,1048 9.349,1049 2.273,1050 14.978,1051 7.259,1052 11.39,1053 -0.396,1054 14.241,1055 0.608,1056 8.663,1057 10.428,1058 0.812,1059 17.087,1060 7.988,1061 12.811,1062 -0.671,1063 16.056,1064 -0.941,1065 9.926,1066 11.98,1067 2.535,1068 19.548,1069 9.162,1070 3.217,1071 -0.898,1072 17.884,1073 -1.543,1074 10.921,1075 13.242,1076 0.985,1077 21.807,1078 10.064,1079 2.837,1080 11.022,1081 19.722,1082 -2.244,1083 12.103,1084 14.703,1085 2.856,1086 24.213,1087 11.157,1088 2.684,1089 8.912,1090 21.569,1091 4.173,1092 13.177,1093 16.047,1094 1.248,1095 26.541,1096 12.141,1097 2.227,1098 8.586,1099 23.421,1100 3.815,1101 14.331,1102 17.474,1103 3.213,1104 28.932,1105 13.208,1106 1.922,1107 7.05,1108 25.28,1109 3.116,1110 15.444,1111 18.855,1112 1.593,1113 31.293,1114 14.232,1115 1.551,1116 5.102,1117 27.143,1118 2.606,1119 16.591,1120 20.27,1121 3.591,1122 33.682,1123 15.292,1124 1.288,1125 3.912,1126 29.011,1127 2.324,1128 17.723,1129 21.668,1130 2.001,1131 36.06,1132 16.336,1133 5322,1134 10087,1135 17.8,1136 26.892,1137 40.597,1138 41.269,1139 40.341,1140 39.738,1141 39.597,1142 49.269,1143 8.362,1144 115.494,1145 34.979,1146 5.534,1147 5.543,1148 6.541,1149 5.278,1150 5.217,1151 6.852,1152 2.45,1153 18.216,1154 4.83,1155 8.342,1156 1.561,1157 1.587,1158 1.552,1159 1.528,1160 1.523,1161 1.895,1162 0.322,1163 4.442,1164 1.345,1165 3.999,1166 4.028,1167 4.331,1168 3.957,1169 7.431,1170 3.901,1171 3.841,1172 3.853,1173 4.259,1174 3.861,1175 4.915,1176 3.786,1177 3.708,1178 3.748,1179 3.616,1180 3.496,1181 4.827,1182 3.512,1183 3.284,1184 3.326,1185 3.437,1186 3.137,1187 4.605,1188 3.109,1189 3.111,1190 3.206,1191 3.249,1192 2.941,1193 4.416,1194 2.91,1195 3.091,1196 3.131,1197 3.117,1198 2.878,1199 4.21,1200 2.884,1201 2.767,1202 2.841,1203 2.866,1204 2.488,1205 3.724,1206 2.5,1207 2.636,1208 2.68,1209 2.717,1210 2.477,1211 3.565,1212 2.436,1213 0.174,1214 0.141,1215 0.259,1216 0.159,1217 0.124,1218 4.534,1219 0.16,1220 3.67,1221 0.048,1222 6.739,1223 0.424,1224 4.13,1225 0.113,1226 3.217,1227 4.173,1228 1.237,1229 11.022,1230 2.941,1231 1.729,1232 1.696,1233 1.911,1234 1.955,1235 1.199,1236 1.945,1237 1.708,1238 1.653,1239 1.814,1240 1.912,1241 1.044,1242 1.888,1243 1.497,1244 1.482,1245 1.563,1246 1.611,1247 0.825,1248 1.614,1249 1.302,1250 1.323,1251 1.513,1252 1.376,1253 0.683,1254 1.429,1255 1.153,1256 1.13,1257 1.271,1258 1.348,1259 0.543,1260 1.391,1261 1.143,1262 1.064,1263 1.15,1264 1.282,1265 0.37,1266 1.313,1267 0.864,1268 0.81,1269 0.962,1270 1.026,1271 0.198,1272 1.046,1273 0.756,1274 0.711,1275 0.855,1276 1.011,1277 0.055,1278 1.006,1279 3.97,1281 5.303,1282 3.045,1283 6.828,1284 5.352,1285 8.439,1286 7.413,1287 10.099,1290 6.182,1295 3.5,1297 5.368,1300 4.028,1305 25.351,1306 72.709,1307 142.143,1308 164.117,1309 164.117,1310 164.117,1311 164.117,1312 32.035,1313 7.317,1314 60.25,1315 116.73,1316 22,1317 12.513,1318 3.7,1319 3,1320 31.712,1321 72,1322 71,1323 0.217,1324 163.69,1325 277.49,1326 391.163,1327 13972,1328 2.8,1329 15.811,1330 0.687,1331 0.629,1332 17.018,1333 14.456,1334 11.22,1335 0.432,1336 0.354,1337 7.166,1338 9.594,1339 6.871,1340 5.576,1341 12.371,1342 9.201,1343 10.176,1344 0.275,1345 0.207,1346 11.908,1347 7.641,1348 8.99,1349 0.176,1350 0.118,1351 10.931,1352 6.039,1353 7.491,1354 0.11,1355 0.065,1356 9.311,1357 4.425,1358 5.884,1359 0.07,1360 0.034,1361 7.341,1362 2.827,1363 0.331,1364 82.711,1365 0.237,1366 22.255,1367 0.627,1368 126,1369 417.976,1370 210.92,1371 465.249,1372 622.39,1373 436,1374 151,1375 397.546,1376 220.943,1377 439.428,1378 655.34,1379 411,1380 5.495}
{0 CHEMBL2089102,1 1.885,2 9.25,3 3.534,4 12.487,5 96.039,6 9.304,7 0.407,8 3.809,9 3.905,10 3.617,11 3.396,12 4.91,13 3.372,14 4.367,15 4.519,16 4.041,17 3.797,18 5.481,19 3.755,20 4.55,21 4.725,22 4.088,23 3.902,24 5.596,25 3.819,26 4.561,27 4.776,28 3.97,29 3.873,30 5.614,31 3.746,32 4.404,33 4.59,34 3.822,35 3.742,36 5.438,37 3.629,38 4.289,39 4.454,40 3.836,41 3.671,42 5.425,43 3.631,44 4.357,45 4.513,46 3.844,47 3.669,48 5.589,49 3.594,50 4.297,51 4.504,52 3.689,53 3.471,54 5.494,55 3.352,56 0.08,57 0.612,58 5.496,59 3.457,60 5.995,61 3.796,62 0.413,63 1.033,64 14.76,65 5.82,66 24.373,67 6.304,68 0.43,69 1.165,70 22.238,71 7.972,72 26.644,73 9.056,74 0.501,75 1.194,76 27.149,77 8.977,78 41.132,79 10.113,80 0.438,81 1.02,82 28.254,83 8.26,84 26.117,85 8.85,86 0.303,87 0.909,88 12.693,89 5.26,90 23.851,91 5.724,92 0.449,93 0.908,94 17.874,95 6.255,96 42.446,97 6.378,98 0.541,99 0.754,100 22.4,101 6.695,102 56.041,103 7.135,104 5,105 38,106 0.335,107 0.68,108 0.802,109 0.839,110 0.839,111 0.839,112 3.229,113 0.981,114 -4.87,115 -4.78,116 -4.48,119 41,125 5,142 4,143 1,144 1,147 1,152 1,158 2,162 1,172 4,174 4,175 3,183 6,186 1,187 5,195 4,198 4,199 3,207 1,211 3,212 7,220 1,224 4,232 2,236 1,237 8,245 1,249 2,250 2,258 2,263 5,275 806,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 14.904,282 25.779,283 9.762,284 17.2,285 13.37,286 13.37,287 13.37,288 13.37,289 13.37,290 10.875,291 38.583,292 4.696,293 14.662,294 3.4,295 1.457,296 0.769,297 0.564,298 0.564,299 0.564,300 3.929,301 1,303 1,304 1,305 1,306 488,307 2.236,310 45.308,311 200.449,314 88.736,318 1.521,319 23.529,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.333,331 222,332 4.533,333 3.668,334 6.737,335 4.127,336 3.214,337 4.172,338 1.237,339 11.016,340 2.941,341 4.052,342 3.17,343 6.074,344 3.661,345 2.741,346 3.65,347 0.935,348 8.812,349 2.557,350 3.867,351 3.072,352 5.7,353 3.572,354 2.629,355 3.118,356 0.86,357 7.778,358 2.426,359 3.507,360 2.904,361 5.408,362 3.192,363 2.258,364 2.683,365 0.8,366 6.852,367 2.094,368 3.293,369 2.463,370 4.812,371 2.874,372 1.957,373 2.48,374 0.349,375 5.356,376 1.744,377 3.139,378 2.286,379 4.625,380 2.716,381 1.826,382 2.257,384 4.893,385 1.577,386 2.799,387 2.051,388 4.284,389 2.42,390 1.531,391 1.82,393 3.832,394 1.346,395 2.665,396 1.472,397 3.695,398 2.171,399 1.191,400 1.738,402 2.614,403 1.143,404 2.231,405 1.291,406 3.484,407 1.952,408 1,409 1.139,411 2.521,412 0.946,413 2.171,414 1.256,415 3.478,416 1.854,417 1,418 1.024,420 2.136,421 0.847,422 2,423 1.216,424 3.247,425 1.574,426 0.728,427 1,428 2.129,429 0.602,430 1.884,431 0.813,432 2.999,433 1.273,434 0.3,435 0.438,436 0.73,437 0.286,438 1.024,439 0.215,440 2.579,441 0.631,442 -0.335,443 -0.438,445 -0.785,446 -0.249,447 0.838,448 0.103,449 2.388,450 0.354,451 -0.464,452 -0.565,454 -1.183,455 -0.374,456 0.453,457 -0.348,458 2.324,459 0.255,460 -0.673,461 -0.728,463 -1.554,464 -0.62,465 11.814,466 0.492,467 0.554,468 0.023,469 31,470 1.292,471 14,472 0.583,473 17,474 0.708,475 19.549,476 0.815,477 25.386,478 0.651,479 20.388,480 0.849,481 6.007,482 0.25,483 5.697,484 0.237,485 0.089,487 0.322,493 0.749,494 1.446,495 0.583,496 0.944,497 0.538,498 0.872,499 1.035,500 0.908,501 0.727,502 0.741,503 0.622,504 0.754,505 0.941,506 1.248,507 0.905,508 1.049,509 0.769,510 1.02,511 0.758,512 0.93,513 1.056,514 1.01,515 0.822,516 0.939,517 0.697,518 1.173,519 1.445,520 1.478,521 0.667,522 1.15,523 1.204,524 1.022,525 0.737,526 0.739,527 1.284,528 0.841,529 1.305,530 1.101,531 1.172,532 1.141,533 1.783,534 1.171,535 1.318,536 0.796,537 0.849,538 0.794,539 1.946,540 0.935,541 4.5,542 0.049,543 2.444,544 1.41,545 1.393,546 0.719,547 0.502,548 0.322,549 0.213,550 0.064,551 6418,552 20564,553 2.161,554 38.5,556 14,558 1,564 1.672,565 2.057,566 3.215,567 -0.658,569 1,573 73.527,574 1.885,575 3.828,576 4.516,577 4.721,578 4.721,579 4.721,580 2.678,581 4.252,582 4.555,583 3.347,584 923.849,585 7.877,586 10641.9,587 1,588 1,589 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.005,596 0.064,597 0.038,598 0.042,599 0.024,600 0.016,601 0.012,602 0.011,603 0.005,604 0.383,605 0.33,606 1,607 0.49,608 112.864,609 -0.055,610 -0.33,611 0.044,612 -0.079,613 -0.012,614 -0.038,615 -0.058,616 0.202,617 0.053,618 0.161,619 0.039,620 0.105,621 -0.045,622 -0.24,623 0.018,624 -0.083,625 -0.019,626 -0.069,627 0.042,628 0.121,629 -0.02,630 0.064,631 0.041,632 0.066,633 0.103,634 -0.104,635 -0.247,636 -0.301,637 0.012,638 -0.138,639 -0.252,640 0.046,641 -0.031,642 0.083,643 -0.163,644 0.018,645 -0.157,646 -0.067,647 -0.215,648 -0.196,649 -0.185,650 -0.282,651 -0.013,652 0.095,653 0.139,654 0.181,655 -0.109,656 0.058,657 1.899,658 5.115,659 0.875,660 20.25,661 1.02,662 1.122,663 3.639,664 13.245,665 0.718,666 3.332,667 3.664,668 3.951,669 4.248,670 4.5,671 4.605,672 4.736,673 4.898,674 4.97,675 5.004,676 5.602,677 0.684,678 362.87,679 3.332,680 4.875,681 5.733,682 6.619,683 7.497,684 8.391,685 9.28,686 10.179,687 11.074,688 11.977,689 10.3,695 2,698 1,699 1,704 4,705 1,708 1,709 5,711 11,726 2,730 1,731 39,733 13,734 1,735 27,737 42,738 16,739 9,740 2,741 4,742 2,746 4,747 5,748 1,761 11,762 5,766 2,771 1,773 1,774 1,775 1,777 1,778 1,781 15,782 6,784 8,785 2,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,845 1,848 24,854 5,856 1,859 2,863 1,869 1,870 5.1,873 1,874 1,877 11.667,878 7.11,879 5.194,880 2.316,881 2.366,882 1.319,883 1.008,884 4.524,885 9.787,886 3.57,887 4.123,888 4.683,889 5.235,890 5.678,891 5.956,892 6.233,893 6.603,894 6.88,895 7.091,896 1,897 37,898 8.872,900 3.826,901 7.748,902 16.979,904 14.126,905 2.248,906 53.944,910 176.567,911 108.881,912 39.82,913 39.149,914 36.145,916 31.278,917 77.603,918 251.86,919 39.82,921 15.502,922 37.905,923 78.025,924 30.221,925 3.686,926 196.073,927 39.149,928 176.567,929 117.423,930 36.145,931 70.426,933 176.567,934 25.145,935 11,937 32.788,938 67.849,939 55.934,940 31.278,941 176.567,942 75.965,943 148.03,946 176.567,947 62.357,948 52.772,950 108.865,951 176.567,952 75.965,953 148.03,955 0.582,956 0.337,957 0.187,958 0.106,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.657,966 202.683,967 0.095,968 21,969 106.039,970 1,974 16.001,975 6.786,976 3.347,978 75.965,979 7.639,980 4.695,983 1.396,984 3.82,987 400.561,988 34.5,993 12.115,995 1.55,996 3.986,997 -0.232,999 39.764,1000 43.767,1001 0.357,1002 0.724,1003 0.854,1004 0.893,1005 0.893,1006 0.893,1007 4.818,1008 1.191,1009 5.714,1010 3.832,1011 4.344,1012 4.808,1013 2.117,1014 6.526,1015 4.168,1016 6.002,1017 1,1018 7.268,1019 2.614,1020 3.892,1021 4.527,1022 0.57,1023 7.402,1024 3.613,1025 7.296,1026 1,1027 8.921,1028 2.521,1029 5.932,1030 6.918,1031 2.108,1032 10.53,1033 5.599,1034 8.623,1035 0.728,1036 10.636,1037 2.136,1038 6.312,1039 7.491,1040 0.703,1041 12.265,1042 5.872,1043 9.986,1044 0.3,1045 12.389,1046 2.129,1047 7.812,1048 9.333,1049 2.273,1050 14.903,1051 7.319,1052 11.373,1053 -0.335,1054 14.171,1055 0.73,1056 8.587,1057 10.319,1058 0.812,1059 17.003,1060 7.986,1061 12.779,1062 -0.464,1063 15.974,1064 -0.785,1065 9.867,1066 11.926,1067 2.535,1068 19.475,1069 9.205,1070 3.214,1071 -0.673,1072 17.792,1073 -1.183,1074 10.837,1075 13.122,1076 0.985,1077 21.737,1078 10.068,1079 2.741,1080 11.016,1081 19.624,1082 -1.554,1083 12.028,1084 14.623,1085 2.856,1086 24.152,1087 11.188,1088 2.629,1089 8.812,1090 21.466,1091 4.172,1092 13.092,1093 15.925,1094 1.248,1095 26.487,1096 12.149,1097 2.258,1098 7.778,1099 23.317,1100 3.65,1101 14.251,1102 17.379,1103 3.213,1104 28.884,1105 13.23,1106 1.957,1107 6.852,1108 25.175,1109 3.118,1110 15.361,1111 18.736,1112 1.593,1113 31.252,1114 14.241,1115 1.826,1116 5.356,1117 27.039,1118 2.683,1119 16.512,1120 20.169,1121 3.591,1122 33.646,1123 15.308,1124 1.531,1125 4.893,1126 28.909,1127 2.48,1128 17.646,1129 21.556,1130 2.001,1131 36.028,1132 16.346,1133 6051,1134 10963,1135 18.493,1136 28.006,1137 41.613,1138 42.383,1139 41.529,1140 40.906,1141 40.751,1142 51.035,1143 8.362,1144 117.337,1145 37.021,1146 5.533,1147 5.668,1148 6.539,1149 5.27,1150 5.214,1151 7.172,1152 2.45,1153 18.201,1154 4.941,1155 8.704,1156 1.541,1157 1.57,1158 1.538,1159 1.515,1160 1.509,1161 1.89,1162 0.31,1163 4.346,1164 1.371,1165 4.005,1166 4.037,1167 4.273,1168 3.929,1169 7.431,1170 3.905,1171 3.874,1172 3.899,1173 3.994,1174 3.829,1175 4.947,1176 3.798,1177 3.714,1178 3.763,1179 3.618,1180 3.496,1181 4.842,1182 3.514,1183 3.301,1184 3.346,1185 3.467,1186 3.166,1187 4.606,1188 3.141,1189 3.172,1190 3.214,1191 3.311,1192 2.961,1193 4.422,1194 2.982,1195 3.111,1196 3.206,1197 3.031,1198 2.941,1199 4.317,1200 2.91,1201 2.878,1202 2.921,1203 2.866,1204 2.79,1205 3.786,1206 2.764,1207 2.782,1208 2.843,1209 2.714,1210 2.553,1211 3.679,1212 2.581,1213 0.168,1214 0.136,1215 0.25,1216 0.153,1217 0.119,1218 4.533,1219 0.155,1220 3.668,1221 0.046,1222 6.737,1223 0.408,1224 4.127,1225 0.109,1226 3.214,1227 4.172,1228 1.237,1229 11.016,1230 2.941,1231 1.911,1232 1.886,1233 2.009,1234 2.006,1235 1.199,1236 2.011,1237 1.708,1238 1.658,1239 1.911,1240 1.95,1241 1.167,1242 1.944,1243 1.65,1244 1.621,1245 1.692,1246 1.83,1247 0.825,1248 1.804,1249 1.207,1250 1.188,1251 1.513,1252 1.382,1253 0.816,1254 1.429,1255 1.153,1256 1.064,1257 1.347,1258 1.376,1259 0.552,1260 1.383,1261 1.068,1262 1.024,1263 1.151,1264 1.287,1265 0.343,1266 1.281,1267 0.867,1268 0.824,1269 1.081,1270 1.017,1271 0.163,1272 1.055,1273 0.845,1274 0.793,1275 0.962,1276 1.012,1277 0.106,1278 1.024,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.727,1285 8.468,1286 6.88,1287 10.127,1290 6.053,1295 3.504,1297 5.376,1300 4.042,1305 26.691,1306 73.527,1307 149.302,1308 176.131,1309 184.131,1310 184.131,1311 184.131,1312 33.404,1313 7.421,1314 60.25,1315 88.49,1316 23,1317 12.499,1318 3.807,1319 3.087,1320 33.739,1321 79,1322 77,1323 0.209,1324 168.816,1325 290.94,1326 403.671,1327 16208,1328 2.6,1329 16.518,1330 0.688,1331 0.599,1332 17.372,1333 14.386,1334 11.704,1335 0.433,1336 0.327,1337 7.599,1338 10.462,1339 7.372,1340 6.008,1341 12.4,1342 8.831,1343 10.646,1344 0.28,1345 0.183,1346 11.669,1347 6.97,1348 9.027,1349 0.177,1350 0.103,1351 10.179,1352 5.231,1353 7.731,1354 0.112,1355 0.057,1356 8.94,1357 3.942,1358 6.344,1359 0.071,1360 0.03,1361 7.364,1362 2.64,1363 0.321,1364 81.069,1365 0.233,1366 23.196,1367 0.596,1368 130,1369 417.115,1370 186.118,1371 446.038,1372 598.01,1373 418,1374 154,1375 396.146,1376 205.289,1377 424.449,1378 629.67,1379 398,1380 5.495}
{0 CHEMBL2089103,1 1.97,2 9.32,3 4.198,4 17.624,5 100.843,6 10.187,7 0.393,8 3.817,9 3.904,10 3.691,11 3.425,12 4.938,13 3.4,14 4.375,15 4.518,16 4.137,17 3.835,18 5.51,19 3.793,20 4.564,21 4.722,22 4.339,23 3.973,24 5.692,25 3.89,26 4.581,27 4.772,28 4.097,29 3.927,30 5.696,31 3.799,32 4.416,33 4.588,34 3.945,35 3.789,36 5.488,37 3.677,38 4.307,39 4.451,40 4.028,41 3.727,42 5.53,43 3.69,44 4.37,45 4.511,46 4.096,47 3.746,48 5.637,49 3.664,50 4.308,51 4.503,52 3.853,53 3.499,54 5.6,55 3.394,56 0.12,57 0.601,58 3.772,59 3.304,60 7.732,61 3.449,62 0.465,63 1.02,64 12.595,65 5.839,66 25.975,67 5.806,68 0.55,69 1.144,70 23.244,71 8.201,72 33.232,73 8.614,74 0.639,75 1.164,76 30.858,77 9.386,78 49.933,79 9.795,80 0.499,81 1.005,82 29.256,83 8.546,84 29.121,85 8.599,86 0.42,87 0.879,88 12.476,89 5.335,90 31.914,91 5.24,92 0.515,93 0.886,94 18.024,95 6.455,96 45.184,97 5.861,98 0.664,99 0.747,100 22.368,101 6.928,102 67.576,103 6.985,104 10,105 40,106 0.35,107 0.693,108 0.808,109 0.839,110 0.839,111 0.839,112 3.268,113 0.999,114 -5.37,115 -5.26,116 -4.91,119 41,125 5,142 3,143 1,144 2,147 1,152 1,158 2,162 1,172 3,174 4,175 3,183 4,186 1,187 4,195 6,198 4,199 4,207 2,211 3,212 5,220 1,224 6,232 1,236 1,237 6,245 2,249 2,250 4,258 2,263 5,275 880,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.376,282 25,283 9.927,284 17.824,285 13.805,286 13.805,287 13.805,288 13.805,289 13.805,290 11.232,291 36.282,292 4.716,293 15.314,294 3.315,295 1.384,296 0.737,297 0.564,298 0.564,299 0.564,300 3.965,301 2,304 1,305 1,306 509,307 2.345,310 47.386,311 209.738,314 92.526,318 1.533,319 27.934,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.667,331 233,332 4.536,333 3.671,334 6.741,335 4.132,336 3.218,337 4.174,338 1.237,339 11.026,340 2.944,341 4.314,342 3.433,343 6.344,344 3.857,345 2.948,346 3.977,347 0.935,348 9.462,349 2.653,350 3.872,351 3.15,352 6.068,353 3.603,354 2.7,355 3.118,356 0.86,357 8.768,358 2.428,359 3.516,360 2.971,361 5.613,362 3.222,363 2.286,364 2.686,365 0.8,366 7.218,367 2.113,368 3.293,369 2.479,370 5.022,371 2.879,372 1.958,373 2.48,374 0.349,375 5.603,376 1.751,377 3.14,378 2.324,379 4.691,380 2.716,381 1.827,382 2.257,384 4.959,385 1.578,386 2.866,387 2.075,388 4.291,389 2.42,390 1.531,391 2.028,393 3.838,394 1.346,395 2.799,396 1.847,397 3.88,398 2.359,399 1.414,400 1.819,402 3.182,403 1.283,404 2.231,405 1.47,406 3.699,407 1.952,408 1,409 1.14,411 2.521,412 0.946,413 2.178,414 1.26,415 3.484,416 1.855,417 1,418 1.041,420 2.199,421 0.848,422 2,423 1.256,424 3.247,425 1.594,426 0.758,427 1,428 2.136,429 0.615,430 1.937,431 1.157,432 3.095,433 1.351,434 0.459,435 0.596,436 1.098,437 0.366,438 1.402,439 0.742,440 2.658,441 0.891,442 0.089,443 0.116,445 0.201,446 0.06,447 1.021,448 0.124,449 2.395,450 0.567,451 -0.336,452 -0.438,454 -0.795,455 -0.278,456 0.473,457 -0.177,458 2.361,459 0.258,460 -0.668,461 -0.711,463 -1.541,464 -0.6,465 12.529,466 0.501,467 0.627,468 0.025,469 31.75,470 1.27,471 14,472 0.56,473 17.75,474 0.71,475 22.055,476 0.882,477 26.471,478 0.679,479 21.19,480 0.848,481 6.11,482 0.244,483 6.021,484 0.241,485 0.141,487 0.343,493 0.732,494 1.447,495 0.535,496 0.881,497 0.531,498 0.826,499 0.997,500 0.899,501 0.662,502 0.68,503 0.629,504 0.699,505 0.882,506 1.237,507 0.742,508 0.935,509 0.709,510 0.923,511 0.87,512 0.944,513 1.22,514 1.116,515 0.925,516 1.037,517 0.743,518 1.17,519 1.333,520 1.437,521 0.698,522 1.138,523 1.132,524 1.039,525 0.796,526 0.782,527 1.221,528 0.839,529 1.248,530 1.08,531 0.944,532 0.981,533 1.722,534 1.07,535 1.072,536 0.815,537 0.729,538 0.827,539 1.648,540 0.929,541 4.5,542 0.066,543 3.333,544 1.597,545 1.584,546 0.83,547 0.549,548 0.422,549 0.263,550 0.104,551 6981,552 24821,553 2.13,554 35.9,556 13,558 1,564 1.684,565 2,566 3.221,567 -0.632,569 1,573 76.828,574 1.97,575 3.901,576 4.548,577 4.721,578 4.721,579 4.721,580 2.668,581 4.214,582 4.616,583 3.358,584 1007.49,585 8.001,586 11920.8,588 1,590 1,591 206.131,592 1.388,593 4.579,594 0.161,595 0.006,596 0.083,597 0.039,598 0.045,599 0.026,600 0.016,601 0.014,602 0.012,603 0.007,604 0.408,605 0.33,606 1,607 0.553,608 119.026,609 -0.069,610 -0.331,611 0.023,612 -0.075,613 -0.012,614 -0.039,615 -0.084,616 0.217,617 0.05,618 0.196,619 0.018,620 0.142,621 0.01,622 -0.229,623 0.164,624 0.022,625 0.055,626 0.023,627 -0.018,628 0.106,629 -0.148,630 -0.037,631 -0.025,632 -0.03,633 0.054,634 -0.097,635 -0.235,636 -0.284,637 -0.008,638 -0.127,639 -0.175,640 0.027,641 -0.027,642 0.038,643 -0.112,644 -0.001,645 -0.158,646 -0.042,647 -0.034,648 -0.045,649 -0.218,650 -0.192,651 0.151,652 0.084,653 0.199,654 0.158,655 0.067,656 0.088,657 1.93,658 5.156,659 0.84,660 20.768,661 1.028,662 1.121,663 4.145,664 17.18,665 0.74,666 3.367,667 3.714,668 4.025,669 4.29,670 4.543,671 4.654,672 4.787,673 4.956,674 5.037,675 5.069,676 5.673,677 0.706,678 397.31,679 3.367,680 4.92,681 5.79,682 6.678,683 7.567,684 8.463,685 9.359,686 10.26,687 11.16,688 12.064,689 10.3,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 2,731 39,733 13,734 1,735 28,737 42,738 16,739 9,740 3,741 3,742 2,746 4,747 5,748 2,761 11,762 5,766 2,771 1,773 1,774 1,775 1,778 1,781 14,782 6,784 9,785 3,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,845 2,848 25,854 5,856 1,859 2,863 1,869 2,870 5.1,873 1,874 1,877 12.5,878 7.169,879 5.417,880 2.31,881 2.422,882 1.322,883 1.005,884 4.954,885 9.937,886 3.597,887 4.171,888 4.75,889 5.278,890 5.722,891 6.013,892 6.285,893 6.652,894 6.936,895 7.152,896 1,897 41,898 9.238,900 4.011,901 7.809,902 17.539,904 14.612,905 2.309,906 57.722,910 164.795,911 102.905,912 39.82,913 78.297,914 36.145,916 31.278,917 71.628,918 279.238,919 39.82,921 15.502,922 28.429,923 78.025,924 33.722,925 3.686,926 184.302,927 78.297,928 164.795,929 111.447,930 36.145,931 109.575,933 164.795,934 25.145,935 11,937 32.788,938 61.874,939 95.083,940 31.278,941 164.795,942 75.965,943 181.203,946 164.795,947 65.858,948 43.296,950 148.013,951 164.795,952 75.965,953 181.203,955 0.588,956 0.353,957 0.187,958 0.103,959 21,960 9,961 0.071,962 3,963 1,964 1.095,965 3.681,966 216.318,967 0.095,968 21,969 112.096,970 1,974 17.218,975 7.193,976 3.405,978 75.965,979 5.482,980 4.681,983 1.367,984 3.817,987 421.963,988 35.5,993 12.156,995 1.505,996 3.973,997 -0.263,999 40.087,1000 43.711,1001 0.373,1002 0.738,1003 0.861,1004 0.893,1005 0.893,1006 0.893,1007 4.858,1008 1.414,1009 5.784,1010 3.838,1011 4.394,1012 4.856,1013 2.117,1014 6.621,1015 4.192,1016 6.055,1017 1,1018 7.362,1019 3.182,1020 4.007,1021 4.663,1022 0.57,1023 7.561,1024 3.676,1025 7.363,1026 1,1027 9.042,1028 2.521,1029 6.014,1030 7.003,1031 2.108,1032 10.687,1033 5.635,1034 8.708,1035 0.758,1036 10.781,1037 2.199,1038 6.463,1039 7.671,1040 0.703,1041 12.451,1042 5.944,1043 10.088,1044 0.459,1045 12.557,1046 2.136,1047 7.935,1048 9.472,1049 2.273,1050 15.089,1051 7.373,1052 11.492,1053 0.089,1054 14.358,1055 1.098,1056 8.76,1057 10.533,1058 0.812,1059 17.189,1060 8.065,1061 12.915,1062 -0.336,1063 16.176,1064 0.201,1065 10.025,1066 12.117,1067 2.535,1068 19.656,1069 9.275,1070 3.218,1071 -0.668,1072 18.008,1073 -0.795,1074 11.022,1075 13.363,1076 0.985,1077 21.906,1078 10.153,1079 2.948,1080 11.026,1081 19.849,1082 -1.541,1083 12.206,1084 14.853,1085 2.856,1086 24.313,1087 11.269,1088 2.7,1089 9.462,1090 21.698,1091 4.174,1092 13.282,1093 16.185,1094 1.248,1095 26.632,1096 12.238,1097 2.286,1098 8.768,1099 23.554,1100 3.977,1101 14.437,1102 17.634,1103 3.213,1104 29.019,1105 13.317,1106 1.958,1107 7.218,1108 25.414,1109 3.118,1110 15.55,1111 19.007,1112 1.593,1113 31.372,1114 14.331,1115 1.827,1116 5.603,1117 27.279,1118 2.686,1119 16.697,1120 20.438,1121 3.591,1122 33.756,1123 15.396,1124 1.531,1125 4.959,1126 29.148,1127 2.48,1128 17.828,1129 21.831,1130 2.001,1131 36.127,1132 16.435,1133 6623,1134 12631,1135 18.898,1136 28.864,1137 43.202,1138 44.881,1139 43.778,1140 42.447,1141 42.378,1142 52.868,1143 8.362,1144 124.422,1145 37.862,1146 5.536,1147 5.671,1148 6.542,1149 5.275,1150 5.218,1151 7.174,1152 2.45,1153 18.232,1154 4.944,1155 10.839,1156 1.543,1157 1.603,1158 1.564,1159 1.516,1160 1.513,1161 1.888,1162 0.299,1163 4.444,1164 1.352,1165 4.007,1166 4.037,1167 4.275,1168 3.935,1169 7.431,1170 3.913,1171 3.879,1172 3.898,1173 4.115,1174 3.84,1175 5.039,1176 3.806,1177 3.714,1178 3.763,1179 3.618,1180 3.497,1181 4.847,1182 3.514,1183 3.301,1184 3.346,1185 3.473,1186 3.166,1187 4.606,1188 3.141,1189 3.172,1190 3.214,1191 3.384,1192 2.962,1193 4.488,1194 2.983,1195 3.111,1196 3.206,1197 3.267,1198 2.941,1199 4.416,1200 2.91,1201 2.899,1202 2.917,1203 3.024,1204 2.837,1205 4.268,1206 2.806,1207 2.784,1208 2.843,1209 2.866,1210 2.569,1211 3.744,1212 2.594,1213 0.162,1214 0.131,1215 0.241,1216 0.148,1217 0.115,1218 4.536,1219 0.149,1220 3.671,1221 0.044,1222 6.741,1223 0.394,1224 4.132,1225 0.105,1226 3.218,1227 4.174,1228 1.237,1229 11.026,1230 2.944,1231 1.906,1232 1.887,1233 1.976,1234 1.995,1235 1.199,1236 1.997,1237 1.708,1238 1.658,1239 1.911,1240 1.949,1241 1.168,1242 1.944,1243 1.649,1244 1.621,1245 1.689,1246 1.825,1247 0.825,1248 1.8,1249 1.207,1250 1.188,1251 1.513,1252 1.382,1253 0.814,1254 1.429,1255 1.153,1256 1.064,1257 1.343,1258 1.376,1259 0.552,1260 1.383,1261 1.068,1262 1.024,1263 1.151,1264 1.287,1265 0.342,1266 1.281,1267 0.847,1268 0.827,1269 0.963,1270 1.016,1271 0.106,1272 1.024,1273 0.845,1274 0.793,1275 0.957,1276 0.95,1277 0.081,1278 0.989,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.727,1285 8.547,1286 6.88,1287 10.221,1290 12.375,1295 3.297,1297 5.375,1300 3.957,1305 27.518,1306 76.828,1307 152.157,1308 177.376,1309 184.131,1310 184.131,1311 184.131,1312 39.166,1313 7.515,1314 60.25,1315 88.49,1316 23,1317 12.584,1318 3.807,1319 3.087,1320 35.775,1321 84,1322 83,1323 0.21,1324 177.149,1325 306.15,1326 424.003,1327 18215,1328 5.1,1329 17.389,1330 0.696,1331 0.618,1332 18.742,1333 15.443,1334 12.131,1335 0.433,1336 0.333,1337 7.74,1338 10.646,1339 7.482,1340 6.075,1341 13.117,1342 9.321,1343 11.035,1344 0.276,1345 0.185,1346 12.355,1347 7.402,1348 9.826,1349 0.179,1350 0.109,1351 11.727,1352 5.984,1353 7.943,1354 0.11,1355 0.057,1356 9.356,1357 4.131,1358 6.535,1359 0.07,1360 0.03,1361 7.741,1362 2.786,1363 0.321,1364 86.809,1365 0.23,1366 23.935,1367 0.599,1368 136,1369 451.319,1370 207.637,1371 507.941,1372 670.62,1373 474,1374 163,1375 425.009,1376 233.711,1377 462.935,1378 690.41,1379 434,1380 6}
{0 CHEMBL2089104,1 1.952,2 10.179,3 4.298,4 18.471,5 102.249,6 9.121,7 0.355,8 3.953,9 4.053,10 3.718,11 3.476,12 5.119,13 3.482,14 4.55,15 4.709,16 4.21,17 3.875,18 6.152,19 3.876,20 4.684,21 4.85,22 4.234,23 4.017,24 5.873,25 3.984,26 4.818,27 5.015,28 4.202,29 4.048,30 6.105,31 3.983,32 4.811,33 5.041,34 4.035,35 3.916,36 6.044,37 3.857,38 4.588,39 4.78,40 3.967,41 3.804,42 5.879,43 3.793,44 4.583,45 4.758,46 4.001,47 3.824,48 5.883,49 3.796,50 4.606,51 4.806,52 3.923,53 3.654,54 6.131,55 3.618,56 0.215,57 0.919,58 6.419,59 4.338,60 29.18,61 4.425,62 1.107,63 1.794,64 18.641,65 7.105,66 151.117,67 7.476,68 0.66,69 1.652,70 20.913,71 8.844,72 54.18,73 9.959,74 0.897,75 1.906,76 29.053,77 11.047,78 92.111,79 11.724,80 1.188,81 1.774,82 37.735,83 11.096,84 140.195,85 11.427,86 0.97,87 1.427,88 19.83,89 7.069,90 101.979,91 7.314,92 0.697,93 1.411,94 18.69,95 7.431,96 74.124,97 7.705,98 1.138,99 1.413,100 26.646,101 8.238,102 134.923,103 8.623,104 27,105 46,106 0.337,107 0.663,108 0.801,109 0.819,110 0.827,111 0.827,112 3.375,113 0.92,114 -5.45,115 -5.33,116 -4.98,119 40,120 1,125 5,132 1,142 3,143 3,147 1,152 1,158 2,162 1,172 7,174 4,175 3,183 8,186 1,187 5,195 5,198 4,199 5,207 1,211 3,212 6,220 1,224 8,232 2,236 1,237 6,245 3,249 2,250 6,258 1,263 3,275 1194,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 16.939,282 27.922,283 10.617,284 19.339,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 12.779,291 40.27,292 5.038,293 16.806,294 3.54,295 1.653,296 0.85,297 0.745,298 0.7,299 0.7,300 4.066,304 1,305 1,306 614,307 3.391,310 55.632,311 243.23,314 107.864,318 1.62,319 50.21,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 64.5,331 285,332 4.586,333 4.472,334 7.265,335 4.288,336 3.394,337 4.179,338 3.825,339 12.291,340 3.105,341 4.523,342 3.669,343 6.739,344 4.122,345 3.211,346 4.11,347 1.237,348 11.018,349 2.926,350 3.943,351 3.188,352 6.105,353 3.658,354 2.751,355 3.171,356 0.935,357 8.882,358 2.46,359 3.855,360 3.099,361 6.038,362 3.572,363 2.643,364 3.101,365 0.86,366 8.555,367 2.417,368 3.458,369 2.841,370 5.584,371 3.166,372 2.219,373 2.595,374 0.8,375 7.089,376 2.081,377 3.224,378 2.373,379 4.834,380 2.819,381 1.923,382 2.323,383 0.349,384 5.196,385 1.702,386 2.894,387 2.102,388 4.648,389 2.507,390 1.59,391 2.045,393 4.669,394 1.428,395 2.849,396 1.915,397 4.29,398 2.414,399 1.494,400 1.957,402 3.827,403 1.414,404 2.798,405 1.513,406 3.886,407 2.399,408 1.414,409 1.818,411 3.172,412 1.333,413 2.231,414 1.454,415 3.7,416 1.952,417 1,418 1.14,420 2.521,421 0.946,422 2.175,423 1.256,424 3.484,425 1.854,426 1,427 1.033,428 2.177,429 0.848,430 2,431 1.233,432 3.247,433 1.593,434 0.743,435 1,436 2.136,437 0.617,438 1.92,439 0.907,440 3.166,441 1.365,442 0.396,443 0.541,445 0.977,446 0.377,447 1.292,448 0.533,449 2.851,450 0.958,451 -0.022,452 -0.029,454 -0.053,455 -0.022,456 0.88,457 0.51,458 2.58,459 0.509,460 -0.471,461 -0.594,463 -1.199,464 -0.457,465 12.957,466 0.463,467 0.916,468 0.033,469 33.5,470 1.196,471 14,472 0.5,473 19.5,474 0.696,475 25.757,476 0.92,477 31.443,478 0.699,479 26.94,480 0.962,481 6.686,482 0.239,483 6.657,484 0.238,485 0.13,486 0.039,487 0.332,490 3,493 0.623,494 1.118,495 0.623,496 1.053,497 0.558,498 0.948,499 0.608,500 0.652,501 0.708,502 0.747,503 0.378,504 0.739,505 0.651,506 1.001,507 0.771,508 1.079,509 0.517,510 1.029,511 0.815,512 1.077,513 1.151,514 1.205,515 0.805,516 1.148,517 1.135,518 1.073,519 1.378,520 1.144,521 1.146,522 0.99,523 1.143,524 0.806,525 0.972,526 0.72,527 1.202,528 0.894,529 0.916,530 0.937,531 1.027,532 1.017,533 0.893,534 1.084,535 1.002,536 0.836,537 1.245,538 1.117,539 1.15,540 1.076,541 6.5,542 0.132,543 4,544 2.347,545 1.882,546 1.073,547 0.671,548 0.578,549 0.369,550 0.305,551 9258,552 34496,553 2.064,554 37.8,555 3,556 13,558 1,564 1.713,565 1.898,566 3.328,567 -0.636,569 1,573 87.833,574 1.952,575 3.839,576 4.642,577 4.747,578 4.792,579 4.792,580 2.764,581 4.325,582 4.78,583 3.493,584 1320.45,585 8.328,586 16981.1,588 1,590 1,591 247.133,592 1.656,593 4.716,594 0.21,595 0.007,596 0.087,597 0.05,598 0.043,599 0.028,600 0.018,601 0.016,602 0.012,603 0.013,604 0.483,605 0.33,606 0.88,607 0.787,608 138.946,609 -0.049,610 -0.185,611 0.053,612 -0.074,613 -0.061,614 -0.034,615 0.266,616 0.329,617 0.167,618 0.213,619 0.379,620 0.167,621 -0.011,622 -0.186,623 0.101,624 -0.091,625 0.029,626 -0.044,627 -0.04,628 -0.146,629 -0.103,630 -0.144,631 -0.015,632 -0.142,633 -0.14,634 -0.025,635 -0.171,636 -0.033,637 -0.137,638 0.044,639 -0.175,640 0.211,641 -0.16,642 0.146,643 -0.206,644 0.005,645 -0.161,646 -0.115,647 -0.154,648 -0.092,649 -0.107,650 -0.161,651 0.097,652 0.12,653 -0.111,654 -0.078,655 0.028,656 -0.106,657 5.665,658 5.196,659 0.75,660 24.403,661 1.039,662 1.148,663 4.224,664 17.838,665 0.677,666 3.466,667 3.85,668 4.127,669 4.407,670 4.635,671 4.736,672 4.905,673 5.056,674 5.147,675 5.242,676 6.179,677 0.668,678 410.46,679 3.466,680 5.043,681 5.911,682 6.819,683 7.706,684 8.616,685 9.512,686 10.423,687 11.323,688 12.236,689 8.9,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,731 45,733 13,734 1,735 31,737 48,738 18,739 9,740 3,741 3,742 2,746 4,747 5,752 2,757 1,761 11,762 7,766 2,771 1,773 1,774 1,775 1,778 1,779 3,781 17,782 9,784 10,785 1,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 1,846 3,848 28,854 5,856 1,859 2,860 1,863 1,869 3,870 4.4,873 1,874 1,877 14.75,878 8.562,879 5.917,880 2.659,881 2.471,882 1.319,883 0.998,884 5.15,885 10.229,886 3.676,887 4.259,888 4.825,889 5.366,890 5.807,891 6.1,892 6.415,893 6.74,894 7.015,895 7.303,896 0.857,897 47,898 10.854,900 5.18,901 8.241,902 19.215,904 16.038,905 2.741,906 76.75,909 1,910 200.109,911 118.86,912 39.82,914 36.145,915 44.88,916 31.278,917 87.582,918 236.254,919 84.7,920 8.825,921 15.502,922 28.429,923 78.025,924 77.972,925 3.686,926 219.615,927 7.76,928 200.109,929 127.402,930 81.025,931 31.278,933 200.109,934 70.025,935 11,937 49.373,938 61.244,939 16.786,940 31.278,941 244.989,942 75.965,943 118.86,946 207.868,947 65.228,948 52.121,950 114.596,951 200.109,952 120.845,953 118.86,955 0.6,956 0.348,957 0.186,958 0.1,959 24,960 11,961 0.063,962 3,963 1,964 1.095,965 3.838,966 254.053,967 0.095,968 21,969 125.851,970 1,974 19.347,975 7.453,976 3.815,978 120.845,979 4.097,980 4.584,983 1.25,984 1.519,987 439.814,988 38.5,993 12.186,995 1.34,996 3.875,997 -0.385,999 46.745,1000 51.673,1001 0.355,1002 0.699,1003 0.845,1004 0.864,1005 0.872,1006 0.872,1007 4.968,1008 1.494,1009 5.953,1010 4.669,1011 4.533,1012 4.945,1013 3.337,1014 6.843,1015 4.358,1016 6.193,1017 1.414,1018 7.571,1019 3.827,1020 4.369,1021 4.868,1022 3.919,1023 8.042,1024 4.053,1025 7.526,1026 1,1027 9.3,1028 3.172,1029 6.248,1030 7.107,1031 5.452,1032 11.105,1033 5.899,1034 8.895,1035 1,1036 11.093,1037 2.521,1038 6.878,1039 7.841,1040 6.691,1041 13.088,1042 6.388,1043 10.299,1044 0.743,1045 12.928,1046 2.177,1047 8.297,1048 9.596,1049 8.06,1050 15.741,1051 7.76,1052 11.726,1053 0.396,1054 14.791,1055 2.136,1056 9.254,1057 10.696,1058 9.389,1059 18.018,1060 8.593,1061 13.171,1062 -0.022,1063 16.673,1064 0.977,1065 10.516,1066 12.26,1067 10.735,1068 20.549,1069 9.791,1070 3.394,1071 -0.471,1072 18.571,1073 -0.053,1074 11.61,1075 13.53,1076 12.074,1077 22.946,1078 10.777,1079 3.211,1080 12.291,1081 20.48,1082 -1.199,1083 12.822,1084 15.013,1085 13.417,1086 25.441,1087 11.912,1088 2.751,1089 11.018,1090 22.399,1091 4.179,1092 13.974,1093 16.362,1094 14.758,1095 27.889,1096 12.965,1097 2.643,1098 8.882,1099 24.325,1100 4.11,1101 15.171,1102 17.812,1103 16.1,1104 30.376,1105 14.08,1106 2.219,1107 8.555,1108 26.258,1109 3.171,1110 16.349,1111 19.198,1112 17.441,1113 32.848,1114 15.165,1115 1.923,1116 7.089,1117 28.197,1118 3.101,1119 17.546,1120 20.632,1121 18.783,1122 35.336,1123 16.275,1124 1.59,1125 5.196,1126 30.14,1127 2.595,1128 18.736,1129 22.037,1130 20.124,1131 37.819,1132 17.375,1133 8891,1134 17323,1135 20.285,1136 30.483,1137 48.724,1138 48.296,1139 48.807,1140 47.773,1141 47.556,1142 58.023,1143 16.013,1144 145.021,1145 43.308,1146 5.586,1147 6.472,1148 7.067,1149 5.431,1150 5.394,1151 7.179,1152 5.335,1153 20.012,1154 5.105,1155 15.128,1156 1.572,1157 1.558,1158 1.574,1159 1.541,1160 1.534,1161 1.872,1162 0.517,1163 4.678,1164 1.397,1165 4.026,1166 4.057,1167 4.273,1168 3.948,1169 8.513,1170 3.937,1171 3.913,1172 3.939,1173 3.93,1174 3.854,1175 7.999,1176 3.821,1177 3.718,1178 3.77,1179 3.616,1180 3.497,1181 7.999,1182 3.516,1183 3.378,1184 3.42,1185 3.451,1186 3.19,1187 7.431,1188 3.186,1189 3.269,1190 3.313,1191 3.332,1192 3.044,1193 4.863,1194 3.062,1195 3.176,1196 3.257,1197 3.055,1198 3.011,1199 4.672,1200 3.008,1201 3.111,1202 3.206,1203 2.938,1204 2.941,1205 4.602,1206 2.91,1207 3.087,1208 3.148,1209 2.866,1210 2.777,1211 4.412,1212 2.818,1213 0.148,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.586,1219 0.135,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.288,1225 0.1,1226 3.394,1227 4.179,1228 3.825,1229 12.291,1230 3.105,1231 1.954,1232 1.93,1233 2.054,1234 2.049,1235 1.244,1236 2.049,1237 1.708,1238 1.659,1239 1.911,1240 1.951,1241 1.199,1242 1.944,1243 1.658,1244 1.626,1245 1.705,1246 1.855,1247 0.853,1248 1.82,1249 1.233,1250 1.211,1251 1.552,1252 1.478,1253 0.825,1254 1.47,1255 1.209,1256 1.133,1257 1.513,1258 1.418,1259 0.607,1260 1.429,1261 1.153,1262 1.08,1263 1.356,1264 1.376,1265 0.565,1266 1.422,1267 1.11,1268 1.064,1269 1.151,1270 1.352,1271 0.345,1272 1.316,1273 0.931,1274 0.865,1275 1.108,1276 1.251,1277 0.181,1278 1.224,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.88,1287 10.399,1289 1.45,1291 39.587,1295 2.665,1297 5.338,1300 3.66,1301 -4.415,1305 30.067,1306 87.833,1307 172.763,1308 208.869,1309 213.624,1310 215.624,1311 215.624,1312 61.984,1313 7.758,1314 60.25,1315 88.49,1316 23,1317 12.752,1318 3.807,1319 3.087,1320 42.301,1321 103,1322 103,1323 0.202,1324 183.262,1325 328.54,1326 438.92,1327 24740,1328 6.7,1329 19.889,1330 0.71,1331 0.565,1332 17.742,1333 15.809,1334 13.342,1335 0.43,1336 0.307,1337 8.543,1338 12.113,1339 8.335,1340 6.782,1341 12.539,1342 9.504,1343 13.03,1344 0.283,1345 0.163,1346 11.651,1347 7.491,1348 10.532,1349 0.173,1350 0.096,1351 10.717,1352 5.846,1353 8.927,1354 0.11,1355 0.052,1356 8.883,1357 4.242,1358 7.103,1359 0.07,1360 0.028,1361 7.389,1362 2.825,1363 0.311,1364 89.976,1365 0.222,1366 26.357,1367 0.569,1368 154,1369 675.245,1370 211.616,1371 580.704,1372 760.2,1373 540,1374 184,1375 515.283,1376 236.006,1377 515.465,1378 785.3,1379 482,1380 5.398}
{0 CHEMBL2089105,1 1.845,2 9.32,3 4.02,4 16.16,5 101.08,6 8.974,7 0.393,8 3.871,9 3.971,10 3.648,11 3.454,12 4.955,13 3.423,14 4.436,15 4.599,16 4.077,17 3.858,18 5.514,19 3.812,20 4.61,21 4.78,22 4.183,23 3.997,24 5.657,25 3.915,26 4.683,27 4.884,28 4.039,29 4.005,30 5.735,31 3.864,32 4.592,33 4.817,34 3.876,35 3.855,36 5.544,37 3.727,38 4.4,39 4.571,40 3.912,41 3.776,42 5.513,43 3.728,44 4.502,45 4.682,46 3.948,47 3.795,48 5.689,49 3.711,50 4.41,51 4.61,52 3.772,53 3.611,54 5.587,55 3.471,56 0.065,57 0.651,58 6.65,59 3.81,60 5.558,61 4.372,62 0.41,63 1.095,64 17.373,65 6.435,66 24.831,67 7.434,68 0.386,69 1.242,70 22.945,71 8.468,72 23.547,73 9.967,74 0.51,75 1.315,76 32.081,77 10.234,78 44.395,79 11.788,80 0.514,81 1.189,82 34.559,83 9.815,84 31.917,85 11.389,86 0.274,87 1.013,88 15.169,89 6.147,90 22.781,91 7.215,92 0.502,93 1.06,94 21.338,95 6.969,96 47.303,97 7.662,98 0.507,99 0.872,100 27.225,101 8.108,102 51.834,103 8.646,104 10,105 40,106 0.323,107 0.665,108 0.812,109 0.832,110 0.832,111 0.832,112 3.268,113 0.991,114 -5.11,115 -5,116 -4.69,119 40.5,120 1,125 5,142 3,143 2,144 1,147 1,152 1,158 2,162 1,172 5,174 4,175 3,183 7,186 1,187 5,195 7,198 4,199 4,207 2,211 3,212 7,220 1,224 6,232 2,236 1,237 8,245 2,249 2,250 4,258 2,263 5,275 880,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.376,282 25.291,283 9.927,284 17.726,285 13.805,286 13.805,287 13.805,288 13.805,289 13.805,290 11.232,291 37.087,292 4.716,293 15.068,294 3.547,295 1.592,296 0.75,297 0.637,298 0.637,299 0.637,300 3.965,301 1,303 1,304 1,305 1,306 509,307 2.345,310 47.386,311 209.738,314 92.526,318 1.533,319 24.212,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.333,331 233,332 4.536,333 3.67,334 6.741,335 4.134,336 3.218,337 4.174,338 1.237,339 11.026,340 2.96,341 4.314,342 3.308,343 6.344,344 3.906,345 2.948,346 3.977,347 0.935,348 9.462,349 2.812,350 3.872,351 3.145,352 6.068,353 3.605,354 2.7,355 3.118,356 0.86,357 8.768,358 2.43,359 3.516,360 2.961,361 5.613,362 3.227,363 2.286,364 2.686,365 0.8,366 7.218,367 2.134,368 3.293,369 2.472,370 5.022,371 2.88,372 1.958,373 2.48,374 0.349,375 5.603,376 1.763,377 3.14,378 2.307,379 4.691,380 2.716,381 1.827,382 2.257,384 4.959,385 1.58,386 2.866,387 2.061,388 4.291,389 2.42,390 1.531,391 2.028,393 3.838,394 1.414,395 2.799,396 1.552,397 3.88,398 2.414,399 1.414,400 1.819,402 3.182,403 1.346,404 2.231,405 1.468,406 3.699,407 1.952,408 1,409 1.14,411 2.521,412 0.946,413 2.178,414 1.256,415 3.484,416 1.855,417 1,418 1.041,420 2.199,421 0.848,422 2,423 1.251,424 3.247,425 1.606,426 0.758,427 1,428 2.136,429 0.625,430 1.937,431 1.092,432 3.095,433 1.397,434 0.459,435 0.596,436 1.098,437 0.407,438 1.402,439 0.702,440 2.658,441 1.014,442 0.089,443 0.116,445 0.201,446 0.074,447 1.021,448 0.122,449 2.395,450 0.581,451 -0.336,452 -0.438,454 -0.795,455 -0.28,456 0.473,457 -0.255,458 2.361,459 0.258,460 -0.668,461 -0.711,463 -1.541,464 -0.612,465 12.314,466 0.493,467 0.627,468 0.025,469 31.5,470 1.26,471 14,472 0.56,473 17.5,474 0.7,475 22.176,476 0.887,477 26.686,478 0.635,479 21.069,480 0.843,481 6.079,482 0.243,483 6.052,484 0.242,485 0.126,487 0.349,493 0.741,494 1.45,495 0.597,496 0.964,497 0.547,498 0.898,499 1.007,500 0.877,501 0.698,502 0.712,503 0.618,504 0.713,505 0.914,506 1.252,507 0.845,508 1.013,509 0.732,510 0.981,511 0.853,512 1.057,513 1.313,514 1.196,515 0.915,516 1.14,517 0.667,518 1.015,519 1.26,520 1.254,521 0.6,522 0.996,523 1.102,524 1.122,525 0.705,526 0.8,527 1.189,528 0.881,529 1.328,530 0.968,531 1.079,532 0.962,533 1.747,534 1.045,535 1.231,536 1.02,537 1.087,538 1.137,539 1.774,540 1.096,541 4.5,542 0.066,543 3.333,544 1.597,545 1.584,546 0.83,547 0.549,548 0.422,549 0.263,550 0.104,551 6981,552 21557,553 2.13,554 40.5,555 3,556 13,558 1,564 1.684,565 2,566 3.221,567 -0.672,569 1,573 77.504,574 1.845,575 3.8,576 4.642,577 4.755,578 4.755,579 4.755,580 2.668,581 4.214,582 4.616,583 3.358,584 1007.49,585 8.001,586 11920.8,588 1,590 1,591 226.477,592 1.388,593 4.579,594 0.161,595 0.006,596 0.083,597 0.039,598 0.045,599 0.026,600 0.016,601 0.014,602 0.012,603 0.007,604 0.408,605 0.33,606 1,607 0.553,608 119.026,609 -0.043,610 -0.316,611 0.048,612 -0.075,613 -0.015,614 -0.034,615 -0.023,616 0.231,617 0.099,618 0.203,619 0.049,620 0.169,621 -0.024,622 -0.222,623 0.062,624 -0.046,625 0.013,626 -0.038,627 -0.013,628 -0.014,629 -0.187,630 -0.125,631 -0.03,632 -0.151,633 0.118,634 0.018,635 -0.108,636 -0.122,637 0.044,638 0.036,639 -0.182,640 -0.06,642 0.034,643 -0.112,644 0.001,645 -0.177,646 0.095,647 -0.14,648 -0.04,649 -0.21,650 -0.156,651 0.017,652 -0.08,653 0.006,654 -0.047,655 -0.029,656 -0.099,657 1.897,658 5.182,659 0.84,660 20.768,661 1.015,662 1.123,663 3.877,664 15.03,665 0.709,666 3.367,667 3.714,668 4.025,669 4.29,670 4.543,671 4.654,672 4.787,673 4.956,674 5.037,675 5.069,676 5.673,677 0.672,678 376.9,679 3.367,680 4.92,681 5.79,682 6.678,683 7.567,684 8.463,685 9.359,686 10.26,687 11.16,688 12.064,689 9.5,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 1,731 42,733 13,734 1,735 28,737 45,738 17,739 9,740 3,741 3,742 2,746 4,747 5,748 1,752 1,761 11,762 6,766 2,771 1,773 1,774 1,775 1,778 1,781 17,782 6,784 8,785 2,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 1,845 1,848 25,854 5,856 1,859 2,863 1,869 1,870 4.8,873 1,874 1,877 12.5,878 8.026,879 5.417,880 2.525,881 2.422,882 1.322,883 1.001,884 4.759,885 9.937,886 3.597,887 4.171,888 4.75,889 5.278,890 5.722,891 6.013,892 6.285,893 6.652,894 6.936,895 7.152,896 1,897 41,898 9.251,900 3.979,901 7.724,902 17.753,904 14.778,905 2.224,906 55.611,909 1,910 200.109,911 111.416,912 39.82,913 39.149,914 36.145,916 31.278,917 80.138,918 275.402,919 39.82,920 8.825,921 15.502,922 28.429,923 78.025,924 33.407,925 3.686,926 219.615,927 39.149,928 200.109,929 119.958,930 36.145,931 70.426,933 200.109,934 25.145,935 11,937 41.613,938 61.559,939 55.934,940 31.278,941 200.109,942 75.965,943 150.564,946 200.109,947 65.543,948 52.121,950 108.865,951 200.109,952 75.965,953 150.564,955 0.588,956 0.353,957 0.187,958 0.103,959 21,960 9,961 0.067,962 3,963 1,964 1.095,965 3.681,966 216.318,967 0.095,968 21,969 112.096,970 1,974 16.947,975 7.021,976 3.306,978 75.965,979 5.831,980 4.724,983 1.4,984 4.948,987 426.637,988 35.5,993 12.182,995 1.563,996 4.016,997 -0.23,999 42.647,1000 47.182,1001 0.342,1002 0.705,1003 0.861,1004 0.882,1005 0.882,1006 0.882,1007 4.858,1008 1.414,1009 5.784,1010 3.838,1011 4.394,1012 4.856,1013 2.117,1014 6.621,1015 4.228,1016 6.055,1017 1,1018 7.362,1019 3.182,1020 4.007,1021 4.663,1022 0.57,1023 7.561,1024 3.763,1025 7.363,1026 1,1027 9.042,1028 2.521,1029 6.014,1030 7.003,1031 2.108,1032 10.687,1033 5.703,1034 8.708,1035 0.758,1036 10.781,1037 2.199,1038 6.463,1039 7.671,1040 0.703,1041 12.451,1042 6.071,1043 10.088,1044 0.459,1045 12.557,1046 2.136,1047 7.935,1048 9.472,1049 2.273,1050 15.089,1051 7.483,1052 11.492,1053 0.089,1054 14.358,1055 1.098,1056 8.76,1057 10.533,1058 0.812,1059 17.189,1060 8.225,1061 12.915,1062 -0.336,1063 16.176,1064 0.201,1065 10.025,1066 12.117,1067 2.535,1068 19.656,1069 9.428,1070 3.218,1071 -0.668,1072 18.008,1073 -0.795,1074 11.022,1075 13.363,1076 0.985,1077 21.906,1078 10.344,1079 2.948,1080 11.026,1081 19.849,1082 -1.541,1083 12.206,1084 14.853,1085 2.856,1086 24.313,1087 11.462,1088 2.7,1089 9.462,1090 21.698,1091 4.174,1092 13.282,1093 16.185,1094 1.248,1095 26.632,1096 12.457,1097 2.286,1098 8.768,1099 23.554,1100 3.977,1101 14.437,1102 17.634,1103 3.213,1104 29.019,1105 13.541,1106 1.958,1107 7.218,1108 25.414,1109 3.118,1110 15.55,1111 19.007,1112 1.593,1113 31.372,1114 14.573,1115 1.827,1116 5.603,1117 27.279,1118 2.686,1119 16.697,1120 20.438,1121 3.591,1122 33.756,1123 15.645,1124 1.531,1125 4.959,1126 29.148,1127 2.48,1128 17.828,1129 21.831,1130 2.001,1131 36.127,1132 16.696,1133 6623,1134 11773,1135 18.898,1136 29.767,1137 43.202,1138 44.516,1139 43.778,1140 42.481,1141 42.378,1142 52.868,1143 8.362,1144 124.422,1145 38.678,1146 5.536,1147 5.67,1148 6.542,1149 5.277,1150 5.218,1151 7.174,1152 2.45,1153 18.232,1154 4.96,1155 10.839,1156 1.543,1157 1.59,1158 1.564,1159 1.517,1160 1.513,1161 1.888,1162 0.299,1163 4.444,1164 1.381,1165 4.014,1166 4.045,1167 4.273,1168 3.942,1169 7.431,1170 3.924,1171 3.892,1172 3.916,1173 4.017,1174 3.848,1175 4.936,1176 3.813,1177 3.715,1178 3.766,1179 3.618,1180 3.497,1181 4.84,1182 3.515,1183 3.301,1184 3.346,1185 3.467,1186 3.166,1187 4.606,1188 3.141,1189 3.18,1190 3.257,1191 3.314,1192 3.026,1193 4.422,1194 3.008,1195 3.157,1196 3.209,1197 3.039,1198 2.957,1199 4.319,1200 2.97,1201 3.111,1202 3.206,1203 2.923,1204 2.941,1205 3.898,1206 2.91,1207 2.8,1208 2.845,1209 2.866,1210 2.625,1211 3.724,1212 2.63,1213 0.162,1214 0.131,1215 0.241,1216 0.148,1217 0.115,1218 4.536,1219 0.149,1220 3.67,1221 0.044,1222 6.741,1223 0.394,1224 4.134,1225 0.106,1226 3.218,1227 4.174,1228 1.237,1229 11.026,1230 2.96,1231 1.936,1232 1.913,1233 2.032,1234 2.022,1235 1.221,1236 2.03,1237 1.708,1238 1.659,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.653,1244 1.623,1245 1.698,1246 1.839,1247 0.837,1248 1.811,1249 1.216,1250 1.189,1251 1.552,1252 1.418,1253 0.825,1254 1.469,1255 1.196,1256 1.127,1257 1.513,1258 1.382,1259 0.606,1260 1.429,1261 1.153,1262 1.064,1263 1.338,1264 1.376,1265 0.551,1266 1.381,1267 1.06,1268 1.015,1269 1.15,1270 1.284,1271 0.341,1272 1.278,1273 0.845,1274 0.793,1275 0.962,1276 1.016,1277 0.106,1278 1.024,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.727,1285 8.547,1286 6.88,1287 10.221,1289 1.991,1290 6.222,1295 3.506,1297 5.39,1300 4.068,1305 28.217,1306 77.504,1307 159.617,1308 194.968,1309 199.722,1310 199.722,1311 199.722,1312 36.763,1313 7.515,1314 60.25,1315 88.49,1316 23,1317 12.584,1318 3.807,1319 3.087,1320 35.775,1321 84,1322 83,1323 0.21,1324 178.408,1325 308.24,1326 427.076,1327 18215,1328 2.4,1329 17.389,1330 0.696,1331 0.612,1332 18.242,1333 15.309,1334 12.131,1335 0.433,1336 0.33,1337 8.021,1338 10.906,1339 7.728,1340 6.322,1341 12.828,1342 9.254,1343 11.035,1344 0.276,1345 0.183,1346 12.022,1347 7.335,1348 9.826,1349 0.179,1350 0.107,1351 11.124,1352 5.884,1353 7.943,1354 0.11,1355 0.057,1356 9.121,1357 4.098,1358 6.535,1359 0.07,1360 0.03,1361 7.535,1362 2.761,1363 0.321,1364 83.634,1365 0.23,1366 23.935,1367 0.599,1368 136,1369 425.115,1370 192.118,1371 454.36,1372 611.58,1373 426,1374 163,1375 408.146,1376 216.24,1377 437.35,1378 650.39,1379 410,1380 5.602}
{0 CHEMBL2089106,1 1.915,2 10.138,3 4.345,4 18.877,5 106.841,6 8.844,7 0.344,8 4.007,9 4.11,10 3.746,11 3.529,12 5.152,13 3.528,14 4.607,15 4.774,16 4.245,17 3.922,18 6.176,19 3.919,20 4.744,21 4.916,22 4.282,23 4.074,24 5.913,25 4.045,26 4.887,27 5.076,28 4.275,29 4.144,30 6.164,31 4.078,32 4.949,33 5.186,34 4.142,35 4.051,36 6.157,37 3.981,38 4.701,39 4.884,40 4.063,41 3.964,42 5.951,43 3.925,44 4.725,45 4.902,46 4.09,47 3.985,48 5.952,49 3.94,50 4.809,51 5.021,52 4.064,53 3.87,54 6.254,55 3.81,56 0.194,57 0.956,58 7.535,59 4.68,60 26.285,61 4.972,62 1.102,63 1.857,64 20.988,65 7.655,66 151.647,67 8.542,68 0.666,69 1.741,70 23.279,71 8.955,72 50.676,73 10.326,74 0.819,75 2.041,76 30.289,77 11.934,78 77.739,79 12.957,80 1.294,81 1.949,82 42.33,83 12.36,84 155.066,85 13.237,86 0.944,87 1.607,88 25.157,89 8.798,90 96.874,91 9.237,92 0.705,93 1.6,94 21.854,95 8.671,96 73.28,97 9.551,98 1.139,99 1.724,100 31.795,101 10.444,102 125.777,103 12.01,104 38,105 48,106 0.326,107 0.635,108 0.777,109 0.816,110 0.823,111 0.823,112 3.409,113 0.931,114 -5.68,115 -5.55,116 -5.17,119 39.6,120 2,125 5,132 1,142 3,143 3,147 1,152 1,158 2,162 1,172 7,174 4,175 5,183 8,186 1,187 5,195 5,198 4,199 7,207 2,211 3,212 6,220 4,224 9,232 5,236 1,237 6,245 4,249 2,250 6,258 1,263 4,275 1335,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.333,282 28.385,283 10.831,284 19.848,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 13.163,291 40.842,292 5.136,293 17.313,294 3.67,295 1.855,296 1.021,297 0.797,298 0.756,299 0.756,300 4.097,304 1,305 1,306 631,307 3.464,310 58.489,311 252.263,314 112.54,318 1.6,319 51.695,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 66.5,331 294,332 4.6,333 4.472,334 7.265,335 4.291,336 3.395,337 4.204,338 3.825,339 12.293,340 3.111,341 4.551,342 3.74,343 6.839,344 4.175,345 3.263,346 4.111,347 1.526,348 11.356,349 2.979,350 3.994,351 3.234,352 6.16,353 3.688,354 2.792,355 3.283,356 0.985,357 9.073,358 2.481,359 3.892,360 3.122,361 6.042,362 3.581,363 2.651,364 3.139,365 0.86,366 8.561,367 2.42,368 3.576,369 2.942,370 5.8,371 3.266,372 2.327,373 2.739,374 0.8,375 7.62,376 2.166,377 3.423,378 2.558,379 5.185,380 3.009,381 2.069,382 2.579,383 0.642,384 6.074,385 1.927,386 2.927,387 2.235,388 4.771,389 2.574,390 1.687,391 2.063,392 0.076,393 4.846,394 1.483,395 2.861,396 2.018,397 4.404,398 2.507,399 1.576,400 1.978,402 4.229,403 1.426,404 2.84,405 1.571,406 3.901,407 2.414,408 1.414,409 1.889,411 3.173,412 1.414,413 2.317,414 1.512,415 3.758,416 1.952,417 1.08,418 1.218,420 2.649,421 0.946,422 2.175,423 1.256,424 3.634,425 1.934,426 1,427 1.064,428 2.221,429 0.913,430 2,431 1.235,432 3.459,433 1.64,434 0.76,435 1,436 2.136,437 0.644,438 1.968,439 0.911,440 3.247,441 1.578,442 0.649,443 0.793,445 1.771,446 0.601,447 1.294,448 0.567,449 3.022,450 1.002,451 0.029,452 0.034,454 0.073,455 0.028,456 0.912,457 0.51,458 2.657,459 0.519,460 -0.469,461 -0.594,463 -1.2,464 -0.456,465 13.457,466 0.464,467 1.005,468 0.035,469 34,470 1.172,471 14,472 0.483,473 20,474 0.69,475 28.734,476 0.991,477 32.743,478 0.682,479 27.796,480 0.958,481 6.741,482 0.232,483 7.012,484 0.242,485 0.163,486 0.037,487 0.357,490 3,493 0.617,494 1.131,495 0.637,496 1.071,497 0.561,498 0.969,499 0.585,500 0.7,501 0.67,502 0.771,503 0.367,504 0.738,505 0.707,506 0.966,507 0.793,508 0.995,509 0.537,510 0.95,511 0.786,512 1.126,513 1.133,514 1.27,515 0.775,516 1.204,517 1.135,518 0.976,519 1.272,520 1.003,521 1.176,522 0.911,523 1.068,524 0.871,525 1.208,526 0.987,527 1.118,528 1.036,529 0.863,530 0.919,531 1.035,532 1.04,533 0.838,534 1.143,535 0.802,536 0.911,537 1.075,538 1.179,539 0.915,540 1.138,541 7,542 0.132,543 4.222,544 2.66,545 2.153,546 1.289,547 0.775,548 0.762,549 0.397,550 0.321,551 9837,552 35629,553 2.041,554 39.6,555 3,556 13,560 3,564 1.724,565 1.861,566 3.318,567 -0.649,569 1,573 91.902,574 1.915,575 3.73,576 4.564,577 4.788,578 4.829,579 4.829,580 2.76,581 4.418,582 4.83,583 3.48,584 1413.03,585 8.439,586 18481,588 1,590 1,591 268.078,592 1.694,593 4.757,594 0.219,595 0.007,596 0.088,597 0.053,598 0.045,599 0.031,600 0.018,601 0.019,602 0.011,603 0.013,604 0.504,605 0.33,606 0.88,607 0.805,608 144.952,609 -0.042,610 -0.18,611 0.056,612 -0.071,613 -0.066,614 -0.031,615 0.292,616 0.282,617 0.219,618 0.197,619 0.391,620 0.185,621 -0.052,622 -0.126,623 0.076,624 -0.02,625 0.007,626 0.011,627 -0.027,628 -0.172,629 -0.123,630 -0.205,631 0.001,632 -0.208,633 -0.146,634 0.025,635 -0.106,636 0.068,637 -0.148,638 0.105,639 -0.151,640 0.163,641 -0.273,642 0.008,643 -0.177,644 -0.103,645 -0.148,646 -0.091,647 -0.196,648 -0.118,649 -0.11,650 -0.214,651 0.165,652 -0.021,653 -0.014,654 -0.17,655 0.111,656 -0.14,657 5.67,658 5.407,659 0.724,660 25.141,661 1.034,662 1.148,663 4.449,664 19.791,665 0.672,666 3.497,667 3.892,668 4.174,669 4.466,670 4.7,671 4.828,672 4.99,673 5.153,674 5.236,675 5.323,676 6.154,677 0.658,678 424.49,679 3.497,680 5.081,681 5.953,682 6.868,683 7.76,684 8.677,685 9.579,686 10.497,687 11.404,688 12.323,689 8.3,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,731 48,733 13,734 1,735 32,737 51,738 19,739 9,740 3,741 3,742 2,746 4,747 5,752 3,757 1,761 11,762 8,766 2,771 1,774 1,775 2,778 1,779 3,781 19,782 9,784 10,785 1,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 2,846 3,848 29,854 5,856 1,859 2,860 1,863 1,869 3,870 4.2,873 1,874 1,877 15.583,878 9.479,879 6.111,880 2.875,881 2.463,882 1.315,883 0.992,884 5.387,885 10.28,886 3.701,887 4.301,888 4.857,889 5.411,890 5.851,891 6.168,892 6.49,893 6.822,894 7.091,895 7.358,896 0.857,897 50,898 11.245,900 5.344,901 8.204,902 19.99,904 16.672,905 2.704,906 78.417,909 1,910 223.651,911 121.395,912 39.82,914 36.145,915 44.88,916 31.278,917 90.117,918 259.796,919 84.7,920 17.65,921 15.502,922 28.429,923 59.963,924 77.972,925 3.686,926 254.929,927 7.76,928 223.651,929 129.937,930 81.025,931 31.278,933 223.651,934 70.025,935 11,937 58.198,938 54.953,939 16.786,940 31.278,941 268.531,942 75.965,943 121.395,946 231.41,947 67.556,948 52.328,950 114.596,951 223.651,952 120.845,953 121.395,955 0.603,956 0.351,957 0.189,958 0.101,959 25,960 12,961 0.059,962 3,963 1,964 1.095,965 3.857,966 269.647,967 0.095,968 21,969 132.127,970 1,974 20.305,975 7.695,976 3.905,978 120.845,979 4.126,980 4.645,983 1.259,984 1.561,987 465.89,988 39.5,993 12.407,996 4.07,997 0.046,999 49.629,1000 55.088,1001 0.343,1002 0.668,1003 0.817,1004 0.857,1005 0.865,1006 0.865,1007 5.002,1008 1.576,1009 6.004,1010 4.846,1011 4.575,1012 4.987,1013 3.398,1014 6.905,1015 4.403,1016 6.237,1017 1.414,1018 7.63,1019 4.229,1020 4.443,1021 4.956,1022 3.947,1023 8.109,1024 4.134,1025 7.579,1026 1.08,1027 9.365,1028 3.173,1029 6.301,1030 7.159,1031 5.469,1032 11.183,1033 5.956,1034 8.955,1035 1,1036 11.163,1037 2.649,1038 6.948,1039 7.913,1040 6.697,1041 13.162,1042 6.465,1043 10.364,1044 0.76,1045 13.001,1046 2.221,1047 8.357,1048 9.652,1049 8.064,1050 15.825,1051 7.825,1052 11.794,1053 0.649,1054 14.865,1055 2.136,1056 9.324,1057 10.757,1058 9.39,1059 18.1,1060 8.671,1061 13.242,1062 0.029,1063 16.748,1064 1.771,1065 10.584,1066 12.314,1067 10.735,1068 20.638,1069 9.865,1070 3.395,1071 -0.469,1072 18.646,1073 0.073,1074 11.683,1075 13.585,1076 12.074,1077 23.034,1078 10.859,1079 3.263,1080 12.293,1081 20.555,1082 -1.2,1083 12.895,1084 15.066,1085 13.417,1086 25.533,1087 11.995,1088 2.792,1089 11.356,1090 22.473,1091 4.204,1092 14.052,1093 16.417,1094 14.758,1095 27.981,1096 13.055,1097 2.651,1098 9.073,1099 24.399,1100 4.111,1101 15.251,1102 17.866,1103 16.1,1104 30.47,1105 14.173,1106 2.327,1107 8.561,1108 26.332,1109 3.283,1110 16.433,1111 19.255,1112 17.441,1113 32.941,1114 15.264,1115 2.069,1116 7.62,1117 28.27,1118 3.139,1119 17.631,1120 20.69,1121 18.783,1122 35.429,1123 16.378,1124 1.687,1125 6.074,1126 30.213,1127 2.739,1128 18.825,1129 22.098,1130 20.124,1131 37.911,1132 17.483,1133 9494,1134 18235,1135 20.69,1136 32.245,1137 50.273,1138 49.714,1139 50.974,1140 49.588,1141 49.386,1142 60.189,1143 17.431,1144 152.148,1145 45.08,1146 5.6,1147 6.472,1148 7.067,1149 5.436,1150 5.395,1151 7.204,1152 5.335,1153 20.014,1154 5.111,1155 16.807,1156 1.571,1157 1.554,1158 1.593,1159 1.55,1160 1.543,1161 1.881,1162 0.545,1163 4.755,1164 1.409,1165 4.033,1166 4.064,1167 4.275,1168 3.952,1169 8.513,1170 3.942,1171 3.916,1172 3.941,1173 3.93,1174 3.856,1175 7.999,1176 3.826,1177 3.729,1178 3.782,1179 3.631,1180 3.507,1181 7.999,1182 3.527,1183 3.414,1184 3.458,1185 3.497,1186 3.288,1187 7.431,1188 3.26,1189 3.347,1190 3.397,1191 3.351,1192 3.091,1193 4.857,1194 3.125,1195 3.177,1196 3.259,1197 3.057,1198 3.035,1199 4.672,1200 3.015,1201 3.111,1202 3.206,1203 2.95,1204 2.941,1205 4.6,1206 2.91,1207 3.09,1208 3.15,1209 2.866,1210 2.778,1211 4.423,1212 2.826,1213 0.144,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.6,1219 0.131,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.291,1225 0.097,1226 3.395,1227 4.204,1228 3.825,1229 12.293,1230 3.111,1231 1.955,1232 1.931,1233 2.055,1234 2.052,1235 1.247,1236 2.051,1237 1.708,1238 1.673,1239 1.911,1240 1.952,1241 1.199,1242 1.944,1243 1.698,1244 1.647,1245 1.796,1246 1.887,1247 0.918,1248 1.863,1249 1.241,1250 1.229,1251 1.553,1252 1.487,1253 0.825,1254 1.47,1255 1.213,1256 1.146,1257 1.513,1258 1.418,1259 0.646,1260 1.462,1261 1.208,1262 1.133,1263 1.487,1264 1.404,1265 0.602,1266 1.429,1267 1.153,1268 1.064,1269 1.314,1270 1.376,1271 0.553,1272 1.402,1273 1.102,1274 1.061,1275 1.146,1276 1.346,1277 0.329,1278 1.316,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.727,1285 8.767,1286 6.88,1287 10.466,1289 3.123,1291 39.825,1295 2.666,1297 5.357,1300 3.752,1301 -4.42,1305 31.593,1306 91.902,1307 179.059,1308 219.059,1309 229.814,1310 231.814,1311 231.814,1312 66.445,1313 7.817,1314 60.25,1315 88.49,1316 23,1317 12.835,1318 3.807,1319 3.087,1320 44.491,1321 105,1322 110,1323 0.206,1324 192.855,1325 345.84,1326 462.326,1327 26072,1328 6.3,1329 20.759,1330 0.716,1331 0.577,1332 18.612,1333 16.732,1334 13.753,1335 0.43,1336 0.31,1337 8.976,1338 12.524,1339 8.704,1340 7.101,1341 12.95,1342 9.935,1343 13.57,1344 0.283,1345 0.164,1346 12.19,1347 7.864,1348 10.927,1349 0.171,1350 0.096,1351 11.112,1352 6.157,1353 9.405,1354 0.109,1355 0.052,1356 9.342,1357 4.453,1358 7.355,1359 0.067,1360 0.028,1361 7.699,1362 3.054,1363 0.317,1364 92.357,1365 0.22,1366 27.016,1367 0.589,1368 160,1369 683.245,1370 218.282,1371 588.794,1372 774.51,1373 548,1374 192,1375 529.987,1376 244.339,1377 529.37,1378 807.6,1379 496,1380 5.602}
{0 CHEMBL2089107,1 1.808,2 9.308,3 4.067,4 16.54,5 105.672,6 8.687,7 0.379,8 3.93,9 4.034,10 3.678,11 3.508,12 4.994,13 3.472,14 4.5,15 4.671,16 4.117,17 3.907,18 5.559,19 3.857,20 4.675,21 4.85,22 4.232,23 4.055,24 5.707,25 3.98,26 4.762,27 4.953,28 4.124,29 4.106,30 5.82,31 3.97,32 4.762,33 4.996,34 4,35 3.998,36 5.724,37 3.867,38 4.535,39 4.698,40 4.013,41 3.94,42 5.612,43 3.868,44 4.655,45 4.836,46 4.072,47 3.963,48 5.806,49 3.869,50 4.658,51 4.878,52 3.856,53 3.829,54 5.742,55 3.655,56 0.051,57 0.691,58 7.78,59 4.16,60 4.852,61 4.941,62 0.39,63 1.16,64 19.631,65 7.046,66 24.755,67 8.536,68 0.416,69 1.34,70 25.306,71 8.593,72 23.373,73 10.363,74 0.452,75 1.432,76 33.132,77 11.036,78 40.113,79 13.063,80 0.617,81 1.375,82 38.954,83 11.153,84 46.981,85 13.266,86 0.251,87 1.182,88 20.589,89 7.908,90 20.004,91 9.189,92 0.497,93 1.243,94 23.85,95 8.139,96 45.641,97 9.532,98 0.579,99 1.078,100 36.977,101 10.601,102 59.809,103 12.188,104 17,105 42,106 0.312,107 0.635,108 0.786,109 0.827,110 0.827,111 0.827,112 3.305,113 1.002,114 -5.34,115 -5.22,116 -4.88,119 40,120 2,125 5,142 3,143 2,144 1,147 1,152 1,158 2,162 1,172 5,174 4,175 5,183 7,186 1,187 5,195 7,198 4,199 6,207 3,211 3,212 7,220 4,224 7,232 4,236 1,237 8,245 4,249 2,250 4,258 2,263 6,275 972,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.77,282 25.754,283 10.14,284 18.235,285 14.289,286 14.289,287 14.289,288 14.289,289 14.289,290 11.616,291 37.658,292 4.813,293 15.575,294 3.684,295 1.811,296 0.939,297 0.7,298 0.7,299 0.7,300 3.999,301 1,304 1,305 1,306 526,307 2.449,310 50.243,311 218.771,314 97.203,318 1.485,319 25.328,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.333,331 242,332 4.578,333 3.741,334 6.841,335 4.191,336 3.271,337 4.201,338 1.526,339 11.366,340 3.015,341 4.314,342 3.319,343 6.346,344 3.906,345 2.949,346 3.977,347 0.985,348 9.484,349 2.816,350 3.962,351 3.153,352 6.12,353 3.646,354 2.75,355 3.271,356 0.86,357 8.929,358 2.451,359 3.605,360 3.094,361 5.828,362 3.312,363 2.371,364 2.774,365 0.8,366 7.736,367 2.218,368 3.439,369 2.561,370 5.185,371 3.011,372 2.076,373 2.618,374 0.642,375 6.077,376 1.927,377 3.243,378 2.456,379 5.009,380 2.822,381 1.901,382 2.459,383 0.076,384 5.561,385 1.683,386 2.867,387 2.22,388 4.404,389 2.552,390 1.677,391 2.029,393 4.233,394 1.451,395 2.858,396 1.66,397 3.895,398 2.414,399 1.414,400 1.896,402 3.185,403 1.414,404 2.318,405 1.519,406 3.758,407 1.952,408 1.085,409 1.22,411 2.653,412 0.946,413 2.178,414 1.256,415 3.631,416 1.94,417 1,418 1.067,420 2.236,421 0.917,422 2,423 1.252,424 3.456,425 1.646,426 0.764,427 1,428 2.136,429 0.646,430 1.986,431 1.093,432 3.247,433 1.604,434 0.696,435 0.83,436 1.835,437 0.62,438 1.402,439 0.704,440 2.842,441 1.072,442 0.168,443 0.195,445 0.392,446 0.135,447 1.037,448 0.411,449 2.594,450 0.582,451 -0.334,452 -0.425,454 -0.807,455 -0.275,456 0.786,457 0.015,458 2.403,459 0.455,460 -0.536,461 -0.662,463 -1.281,464 -0.517,465 12.814,466 0.493,467 0.716,468 0.028,469 32,470 1.231,471 14,472 0.538,473 18,474 0.692,475 25.003,476 0.962,477 27.986,478 0.622,479 21.816,480 0.839,481 6.134,482 0.236,483 6.407,484 0.246,485 0.16,487 0.375,493 0.736,494 1.453,495 0.612,496 0.983,497 0.566,498 0.922,499 0.961,500 0.958,501 0.666,502 0.736,503 0.588,504 0.714,505 1.034,506 1.168,507 0.864,508 0.926,509 0.798,510 0.907,511 0.809,512 1.163,513 1.285,514 1.262,515 0.849,516 1.197,517 0.84,518 0.895,519 1.152,520 1.071,521 0.988,522 0.905,523 1.031,524 1.257,525 0.939,526 1.081,527 1.104,528 1.028,529 1.252,530 1.018,531 1.022,532 0.975,533 1.58,534 1.096,535 1.156,536 0.991,537 1.236,538 1.177,539 1.586,540 1.16,541 5,542 0.066,543 3.556,544 1.91,545 1.855,546 1.046,547 0.693,548 0.512,549 0.29,550 0.12,551 7476,552 22414,553 2.101,554 42.2,555 3,556 13,560 3,564 1.696,565 1.95,566 3.216,567 -0.684,569 1,573 81.364,574 1.808,575 3.681,576 4.553,577 4.792,578 4.792,579 4.792,580 2.676,581 4.133,582 4.672,583 3.347,584 1087.71,585 8.124,586 13136.4,588 1,590 1,591 247.133,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.043,598 0.048,599 0.029,600 0.018,601 0.015,602 0.012,603 0.008,604 0.435,605 0.33,606 1,607 0.596,608 124.886,609 -0.033,610 -0.303,611 0.051,612 -0.072,613 -0.03,614 -0.03,615 0.028,616 0.147,617 0.145,618 0.188,619 0.083,620 0.187,621 -0.083,622 -0.087,623 0.046,624 0.026,625 -0.033,626 0.014,627 0.01,628 -0.101,629 -0.197,630 -0.201,631 0.016,632 -0.219,633 0.047,634 0.126,635 -0.054,636 0.017,637 -0.047,638 0.104,639 -0.163,640 -0.155,641 -0.117,642 -0.117,643 -0.101,644 -0.109,645 -0.159,646 0.059,647 -0.131,648 -0.067,649 -0.171,650 -0.204,651 0.009,652 -0.092,653 -0.072,654 -0.108,655 -0.039,656 -0.141,657 1.881,658 5.403,659 0.808,660 21.538,661 1.012,662 1.124,663 4.109,664 16.886,665 0.701,666 3.401,667 3.761,668 4.078,669 4.357,670 4.615,671 4.754,672 4.883,673 5.043,674 5.136,675 5.147,676 5.658,677 0.661,678 390.93,679 3.401,680 4.963,681 5.838,682 6.735,683 7.629,684 8.534,685 9.437,686 10.346,687 11.254,688 12.166,689 8.9,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 1,731 45,733 13,734 1,735 29,737 48,738 18,739 9,740 3,741 3,742 2,746 4,747 5,748 1,752 2,761 11,762 7,766 2,771 1,774 1,775 2,778 1,781 19,782 6,784 8,785 2,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 2,845 1,848 26,854 5,856 1,859 2,863 1,869 1,870 4.4,873 1,874 1,877 13.333,878 8.943,879 5.611,880 2.741,881 2.41,882 1.318,883 0.995,884 4.995,885 9.991,886 3.624,887 4.216,888 4.784,889 5.328,890 5.77,891 6.087,892 6.371,893 6.733,894 7.018,895 7.205,896 1,897 44,898 9.635,900 4.136,901 7.703,902 18.528,904 15.413,905 2.203,906 57.278,909 1,910 223.651,911 113.95,912 39.82,913 39.149,914 36.145,916 31.278,917 82.672,918 298.944,919 39.82,920 17.65,921 15.502,922 28.429,923 59.963,924 33.407,925 3.686,926 254.929,927 39.149,928 223.651,929 122.492,930 36.145,931 70.426,933 223.651,934 25.145,935 11,937 50.439,938 55.268,939 55.934,940 31.278,941 223.651,942 75.965,943 153.099,946 223.651,947 67.871,948 52.328,950 108.865,951 223.651,952 75.965,953 153.099,955 0.592,956 0.357,957 0.19,958 0.105,959 22,960 10,961 0.063,962 3,963 1,964 1.095,965 3.701,966 231.105,967 0.095,968 21,969 118.211,970 1,974 17.897,975 7.257,976 3.412,978 75.965,979 5.86,980 4.785,983 1.409,984 4.99,987 452.714,988 36.5,993 12.403,996 4.21,997 0.439,999 45.531,1000 50.598,1001 0.329,1002 0.67,1003 0.829,1004 0.872,1005 0.872,1006 0.872,1007 4.896,1008 1.414,1009 5.844,1010 4.233,1011 4.443,1012 4.902,1013 2.31,1014 6.698,1015 4.279,1016 6.105,1017 1.085,1018 7.434,1019 3.185,1020 4.111,1021 4.771,1022 1.175,1023 7.667,1024 3.87,1025 7.425,1026 1,1027 9.126,1028 2.653,1029 6.08,1030 7.061,1031 2.51,1032 10.804,1033 5.771,1034 8.779,1035 0.764,1036 10.875,1037 2.236,1038 6.567,1039 7.756,1040 1.932,1041 12.586,1042 6.175,1043 10.167,1044 0.696,1045 12.66,1046 2.136,1047 8.021,1048 9.534,1049 3.007,1050 15.245,1051 7.567,1052 11.578,1053 0.168,1054 14.47,1055 1.835,1056 8.872,1057 10.605,1058 2.766,1059 17.367,1060 8.335,1061 13.006,1062 -0.334,1063 16.296,1064 0.392,1065 10.132,1066 12.179,1067 3.666,1068 19.861,1069 9.533,1070 3.271,1071 -0.536,1072 18.136,1073 -0.807,1074 11.15,1075 13.428,1076 3.644,1077 22.137,1078 10.468,1079 2.949,1080 11.366,1081 19.986,1082 -1.281,1083 12.338,1084 14.915,1085 4.409,1086 24.573,1087 11.59,1088 2.75,1089 9.484,1090 21.844,1091 4.201,1092 13.432,1093 16.25,1094 4.529,1095 26.923,1096 12.603,1097 2.371,1098 8.929,1099 23.708,1100 3.977,1101 14.597,1102 17.699,1103 5.193,1104 29.342,1105 13.696,1106 2.076,1107 7.736,1108 25.578,1109 3.271,1110 15.726,1111 19.076,1112 5.409,1113 31.728,1114 14.745,1115 1.901,1116 6.077,1117 27.453,1118 2.774,1119 16.886,1120 20.508,1121 6,1122 34.144,1123 15.83,1124 1.677,1125 5.561,1126 29.332,1127 2.618,1128 18.034,1129 21.906,1130 6.281,1131 36.549,1132 16.898,1133 7136,1134 12493,1135 19.304,1136 31.529,1137 44.776,1138 45.852,1139 45.926,1140 44.294,1141 44.244,1142 55.072,1143 9.78,1144 131.642,1145 40.48,1146 5.578,1147 5.741,1148 6.643,1149 5.336,1150 5.271,1151 7.201,1152 2.797,1153 18.864,1154 5.015,1155 12.672,1156 1.544,1157 1.581,1158 1.584,1159 1.527,1160 1.526,1161 1.899,1162 0.337,1163 4.539,1164 1.396,1165 4.022,1166 4.053,1167 4.275,1168 3.947,1169 7.431,1170 3.929,1171 3.894,1172 3.918,1173 4.018,1174 3.85,1175 4.935,1176 3.817,1177 3.726,1178 3.778,1179 3.634,1180 3.507,1181 4.836,1182 3.526,1183 3.403,1184 3.451,1185 3.508,1186 3.284,1187 4.604,1188 3.254,1189 3.187,1190 3.259,1191 3.338,1192 3.039,1193 4.431,1194 3.025,1195 3.159,1196 3.228,1197 3.042,1198 2.998,1199 4.322,1200 2.982,1201 3.111,1202 3.206,1203 2.944,1204 2.941,1205 3.899,1206 2.91,1207 3.015,1208 3.062,1209 2.866,1210 2.749,1211 3.734,1212 2.781,1213 0.158,1214 0.129,1215 0.236,1216 0.145,1217 0.113,1218 4.578,1219 0.145,1220 3.741,1221 0.053,1222 6.841,1223 0.392,1224 4.191,1225 0.104,1226 3.271,1227 4.201,1228 1.526,1229 11.366,1230 3.015,1231 1.937,1232 1.914,1233 2.034,1234 2.028,1235 1.224,1236 2.033,1237 1.708,1238 1.671,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.694,1244 1.646,1245 1.792,1246 1.871,1247 0.906,1248 1.854,1249 1.234,1250 1.221,1251 1.553,1252 1.42,1253 0.825,1254 1.47,1255 1.211,1256 1.134,1257 1.513,1258 1.418,1259 0.638,1260 1.447,1261 1.177,1262 1.105,1263 1.478,1264 1.376,1265 0.598,1266 1.429,1267 1.153,1268 1.064,1269 1.302,1270 1.368,1271 0.545,1272 1.376,1273 1.06,1274 1.014,1275 1.146,1276 1.28,1277 0.326,1278 1.278,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.727,1285 8.612,1286 6.88,1287 10.3,1289 3.842,1290 6.262,1295 3.508,1297 5.409,1300 4.16,1305 29.744,1306 81.364,1307 165.624,1308 204.869,1309 215.624,1310 215.624,1311 215.624,1312 39.897,1313 7.581,1314 60.25,1315 88.49,1316 23,1317 12.681,1318 3.807,1319 3.087,1320 37.806,1321 87,1322 89,1323 0.214,1324 188.001,1325 325.54,1326 450.482,1327 19319,1328 2.2,1329 18.259,1330 0.702,1331 0.624,1332 19.112,1333 16.232,1334 12.542,1335 0.432,1336 0.334,1337 8.454,1338 11.316,1339 8.097,1340 6.641,1341 13.239,1342 9.685,1343 11.574,1344 0.276,1345 0.184,1346 12.561,1347 7.708,1348 10.222,1349 0.176,1350 0.107,1351 11.519,1352 6.195,1353 8.422,1354 0.109,1355 0.056,1356 9.58,1357 4.308,1358 6.787,1359 0.068,1360 0.03,1361 7.845,1362 2.991,1363 0.327,1364 86.014,1365 0.228,1366 24.621,1367 0.62,1368 142,1369 433.115,1370 198.784,1371 462.45,1372 625.89,1373 434,1374 171,1375 422.85,1376 224.573,1377 451.255,1378 672.69,1379 424,1380 5.699}
{0 CHEMBL2089108,1 1.88,2 10.133,3 5.012,4 25.117,5 111.468,6 8.598,7 0.333,8 4.058,9 4.165,10 3.773,11 3.58,12 5.182,13 3.572,14 4.662,15 4.833,16 4.264,17 3.974,18 6.194,19 3.96,20 4.814,21 4.999,22 4.315,23 4.12,24 5.949,25 4.085,26 4.937,27 5.129,28 4.32,29 4.195,30 6.19,31 4.134,32 5.01,33 5.238,34 4.219,35 4.147,36 6.211,37 4.076,38 4.855,39 5.053,40 4.167,41 4.093,42 6.071,43 4.042,44 4.824,45 4.995,46 4.175,47 4.12,48 6.015,49 4.055,50 4.924,51 5.134,52 4.147,53 4.025,54 6.293,55 3.952,56 0.174,57 0.994,58 8.633,59 5.021,60 24.819,61 5.515,62 1.096,63 1.918,64 22.955,65 8.226,66 151.726,67 9.521,68 0.655,69 1.814,70 26.819,71 9.729,72 50.895,73 11.813,74 0.822,75 2.132,76 32.574,77 12.039,78 76.863,79 13.293,80 1.207,81 2.087,82 42.982,83 13.172,84 139.957,85 14.369,86 1.067,87 1.781,88 30.355,89 10.146,90 115.083,91 11.259,92 0.673,93 1.778,94 27.458,95 10.436,96 70.551,97 11.555,98 1.149,99 1.917,100 34.607,101 11.626,102 130.228,103 13.7,104 41,105 49,106 0.316,107 0.631,108 0.806,109 0.822,110 0.828,111 0.828,112 3.441,113 0.954,114 -5.9,115 -5.76,116 -5.36,119 39.2,120 2,121 1,125 5,132 1,142 3,143 3,147 1,152 1,158 2,162 1,172 8,174 4,175 5,183 8,186 1,187 7,195 5,198 4,199 7,207 2,211 3,212 8,220 5,224 9,232 8,236 1,237 7,245 7,249 2,250 6,258 2,263 4,275 1500,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 18.256,282 29.597,283 11.355,284 20.7,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.584,291 41.905,292 5.294,293 17.745,294 3.793,295 1.923,296 0.883,297 0.79,298 0.75,299 0.75,300 4.131,304 1,305 1,306 650,307 3.606,310 61.6,311 262.046,314 117.696,318 1.551,319 52.796,322 0.75,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.87,330 68.5,331 304,332 4.603,333 4.472,334 7.265,335 4.292,336 3.396,337 4.206,338 3.825,339 12.293,340 3.113,341 4.554,342 3.751,343 6.855,344 4.184,345 3.271,346 4.111,347 1.526,348 11.439,349 2.988,350 4.009,351 3.247,352 6.176,353 3.697,354 2.802,355 3.308,356 0.985,357 9.148,358 2.489,359 3.896,360 3.126,361 6.043,362 3.583,363 2.652,364 3.14,365 0.86,366 8.562,367 2.421,368 3.609,369 2.96,370 5.843,371 3.306,372 2.365,373 2.776,374 0.8,375 7.812,376 2.209,377 3.429,378 2.593,379 5.271,380 3.041,381 2.093,382 2.581,383 0.642,384 6.312,385 1.968,386 2.935,387 2.25,388 4.777,389 2.605,390 1.717,391 2.066,392 0.076,393 4.873,394 1.51,395 2.864,396 2.024,397 4.424,398 2.507,399 1.578,400 1.981,402 4.285,403 1.427,404 2.841,405 1.595,406 3.917,407 2.414,408 1.414,409 1.896,411 3.174,412 1.414,413 2.347,414 1.512,415 3.789,416 2.005,417 1.127,418 1.263,420 2.72,421 0.977,422 2.175,423 1.256,424 3.75,425 1.952,426 1,427 1.075,428 2.239,429 0.946,430 2,431 1.236,432 3.471,433 1.748,434 0.827,435 1,436 2.136,437 0.749,438 1.992,439 0.922,440 3.247,441 1.589,442 0.726,443 0.885,445 2.011,446 0.615,447 1.568,448 0.836,449 3.055,450 1.239,451 0.26,452 0.305,454 0.451,455 0.252,456 1.291,457 0.521,458 2.712,459 0.96,460 -0.021,461 -0.026,463 -0.047,464 -0.02,465 13.957,466 0.465,467 0.967,468 0.032,469 34.5,470 1.15,471 14,472 0.467,473 20.5,474 0.683,475 30.918,476 1.031,477 34.043,478 0.668,479 28.466,480 0.949,481 6.683,482 0.223,483 7.608,484 0.254,485 0.157,486 0.036,487 0.344,490 3,493 0.612,494 1.142,495 0.651,496 1.087,497 0.558,498 0.989,499 0.577,500 0.72,501 0.683,502 0.804,503 0.367,504 0.778,505 0.674,506 0.978,507 0.742,508 0.979,509 0.516,510 0.911,511 0.838,512 1.099,513 1.14,514 1.195,515 0.799,516 1.13,517 1.105,518 1.027,519 1.252,520 1.074,521 1.144,522 0.979,523 1.074,524 0.78,525 1.116,526 0.852,527 1.152,528 0.945,529 0.822,530 0.973,531 1.238,532 1.244,533 0.791,534 1.235,535 0.776,536 0.904,537 1.081,538 1.183,539 0.883,540 1.177,541 7,542 0.144,543 4.222,544 2.66,545 2.273,546 1.351,547 0.871,548 0.778,549 0.491,550 0.331,551 10544,552 36994,553 2.04,554 41.2,555 6,556 13,560 2,564 1.735,565 1.865,566 3.312,567 -0.66,573 95.862,574 1.88,575 3.749,576 4.79,577 4.883,578 4.922,579 4.922,580 2.759,581 4.482,582 4.879,583 3.477,584 1512.46,585 8.546,586 20254,588 1,591 289.294,592 1.679,593 4.809,594 0.212,595 0.008,596 0.086,597 0.051,598 0.045,599 0.029,600 0.019,601 0.017,602 0.012,603 0.011,604 0.491,605 0.17,606 0.88,607 0.888,608 151.29,609 -0.037,610 -0.176,611 0.059,612 -0.067,613 -0.062,614 -0.028,615 0.301,616 0.269,617 0.211,618 0.173,619 0.389,620 0.157,621 -0.02,622 -0.146,623 0.145,625 0.025,626 0.067,627 -0.059,628 -0.121,629 -0.132,630 -0.142,631 -0.015,632 -0.155,633 -0.13,634 -0.002,635 -0.128,636 -0.002,637 -0.129,638 0.023,639 -0.154,640 0.198,641 -0.179,642 0.12,643 -0.182,644 -0.002,645 -0.134,646 -0.113,647 -0.286,648 -0.207,649 -0.094,650 -0.275,651 0.146,652 -0.009,653 -0.071,654 -0.186,655 0.084,656 -0.191,657 5.672,658 5.566,659 0.7,660 26.8,661 1.03,662 1.147,663 4.67,664 21.805,665 0.667,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.883,672 5.063,673 5.22,674 5.318,675 5.398,676 6.186,677 0.649,678 438.52,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.705,685 9.608,686 10.528,687 11.437,688 12.358,689 7.8,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,731 51,733 13,734 1,735 33,737 54,738 20,739 9,740 3,741 3,742 2,746 4,747 5,752 3,757 1,758 1,761 11,762 9,766 2,771 1,774 1,775 2,779 3,781 21,782 9,784 10,785 1,790 4,791 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 2,846 3,848 30,854 6,856 1,859 2,860 1,863 1,869 3,870 3.9,873 1,874 1,877 16.083,878 9.979,879 6.444,880 3.25,881 2.455,882 1.312,883 0.987,884 5.868,885 10.328,886 3.726,887 4.314,888 4.88,889 5.429,890 5.879,891 6.199,892 6.537,893 6.873,894 7.15,895 7.413,896 0.857,897 52,898 11.636,900 5.496,901 8.164,902 20.806,904 17.334,905 2.664,906 79.917,909 1,910 247.193,911 123.929,912 39.82,914 36.145,915 44.88,916 31.278,917 92.651,918 283.338,919 84.7,920 17.65,921 18.036,922 28.429,923 59.963,924 77.972,925 3.686,926 278.471,927 7.76,928 247.193,929 132.471,930 81.025,931 31.278,933 247.193,934 70.025,935 11,937 60.733,938 54.953,939 16.786,940 31.278,941 292.073,942 75.965,943 123.929,946 254.953,947 70.09,948 52.328,950 114.596,951 247.193,952 120.845,953 123.929,955 0.596,956 0.353,957 0.192,958 0.105,959 25,960 12,961 0.074,962 4,963 1,964 1.095,965 3.912,966 283.147,967 0.095,968 21,969 138.452,970 1,974 21.265,975 8.278,976 4.135,978 120.845,979 4.158,980 4.692,983 1.269,984 1.619,987 491.967,988 40.5,993 12.566,996 4.188,997 0.152,999 52.512,1000 58.503,1001 0.331,1002 0.661,1003 0.844,1004 0.861,1005 0.868,1006 0.868,1007 5.022,1008 1.578,1009 6.023,1010 4.873,1011 4.595,1012 5.001,1013 3.398,1014 6.925,1015 4.427,1016 6.25,1017 1.414,1018 7.648,1019 4.285,1020 4.443,1021 4.956,1022 3.947,1023 8.131,1024 4.134,1025 7.591,1026 1.127,1027 9.382,1028 3.174,1029 6.319,1030 7.17,1031 5.469,1032 11.206,1033 5.979,1034 8.966,1035 1,1036 11.18,1037 2.72,1038 6.957,1039 7.921,1040 6.697,1041 13.186,1042 6.478,1043 10.375,1044 0.827,1045 13.018,1046 2.239,1047 8.373,1048 9.661,1049 8.064,1050 15.85,1051 7.846,1052 11.806,1053 0.726,1054 14.882,1055 2.136,1056 9.336,1057 10.765,1058 9.39,1059 18.126,1060 8.688,1061 13.254,1062 0.26,1063 16.765,1064 2.011,1065 10.598,1066 12.322,1067 10.735,1068 20.664,1069 9.885,1070 3.396,1071 -0.021,1072 18.663,1073 0.451,1074 11.697,1075 13.593,1076 12.074,1077 23.06,1078 10.878,1079 3.271,1080 12.293,1081 20.572,1082 -0.047,1083 12.909,1084 15.074,1085 13.417,1086 25.56,1087 12.015,1088 2.802,1089 11.439,1090 22.49,1091 4.206,1092 14.066,1093 16.424,1094 14.758,1095 28.008,1096 13.075,1097 2.652,1098 9.148,1099 24.415,1100 4.111,1101 15.265,1102 17.873,1103 16.1,1104 30.497,1105 14.194,1106 2.365,1107 8.562,1108 26.348,1109 3.308,1110 16.447,1111 19.261,1112 17.441,1113 32.969,1114 15.284,1115 2.093,1116 7.812,1117 28.285,1118 3.14,1119 17.646,1120 20.697,1121 18.783,1122 35.457,1123 16.4,1124 1.717,1125 6.312,1126 30.228,1127 2.776,1128 18.84,1129 22.104,1130 20.124,1131 37.939,1132 17.505,1133 10216,1134 19313,1135 21.383,1136 34.006,1137 51.404,1138 51.113,1139 52.616,1140 50.701,1141 50.454,1142 61.185,1143 17.431,1144 154.907,1145 46.156,1146 5.603,1147 6.472,1148 7.067,1149 5.439,1150 5.396,1151 7.206,1152 5.335,1153 20.015,1154 5.113,1155 17.276,1156 1.558,1157 1.549,1158 1.594,1159 1.536,1160 1.529,1161 1.854,1162 0.528,1163 4.694,1164 1.399,1165 4.036,1166 4.068,1167 4.276,1168 3.955,1169 8.513,1170 3.944,1171 3.917,1172 3.942,1173 3.931,1174 3.857,1175 7.999,1176 3.828,1177 3.736,1178 3.791,1179 3.642,1180 3.52,1181 7.999,1182 3.537,1183 3.503,1184 3.558,1185 3.524,1186 3.388,1187 7.431,1188 3.356,1189 3.365,1190 3.411,1191 3.36,1192 3.123,1193 4.854,1194 3.147,1195 3.179,1196 3.26,1197 3.079,1198 3.037,1199 4.672,1200 3.018,1201 3.142,1202 3.206,1203 3.042,1204 2.941,1205 4.597,1206 2.912,1207 3.111,1208 3.198,1209 2.929,1210 2.894,1211 4.412,1212 2.91,1213 0.139,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.603,1219 0.127,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.292,1225 0.094,1226 3.396,1227 4.206,1228 3.825,1229 12.293,1230 3.113,1231 1.956,1232 1.932,1233 2.056,1234 2.054,1235 1.251,1236 2.053,1237 1.728,1238 1.693,1239 1.911,1240 1.952,1241 1.199,1242 1.944,1243 1.707,1244 1.651,1245 1.881,1246 1.908,1247 1.064,1248 1.896,1249 1.408,1250 1.359,1251 1.599,1252 1.604,1253 0.825,1254 1.624,1255 1.233,1256 1.203,1257 1.551,1258 1.473,1259 0.79,1260 1.47,1261 1.209,1262 1.133,1263 1.513,1264 1.418,1265 0.606,1266 1.429,1267 1.153,1268 1.075,1269 1.34,1270 1.376,1271 0.563,1272 1.418,1273 1.107,1274 1.064,1275 1.149,1276 1.35,1277 0.342,1278 1.316,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.727,1285 8.787,1286 6.88,1287 10.488,1289 3.329,1291 40.024,1295 3.149,1297 5.374,1300 3.818,1301 -4.422,1305 33.12,1306 95.862,1307 191.215,1308 244.274,1309 249.029,1310 251.029,1311 251.029,1312 70.998,1313 7.873,1314 60.25,1315 88.49,1316 23,1317 12.868,1318 3.807,1319 3.087,1320 46.722,1321 108,1322 117,1323 0.209,1324 202.447,1325 363.14,1326 485.731,1327 27546,1328 5.9,1329 21.466,1330 0.716,1331 0.581,1332 19.319,1333 17.439,1334 14.291,1335 0.433,1336 0.318,1337 9.537,1338 13.07,1339 9.269,1340 7.578,1341 13.488,1342 10.495,1343 13.761,1344 0.281,1345 0.165,1346 12.381,1347 8.086,1348 11.257,1349 0.171,1350 0.096,1351 11.442,1352 6.361,1353 9.653,1354 0.108,1355 0.052,1356 9.59,1357 4.639,1358 7.722,1359 0.068,1360 0.028,1361 8.04,1362 3.168,1363 0.319,1364 95.585,1365 0.216,1366 27.72,1367 0.6,1368 164,1369 687.245,1370 222.282,1371 592.637,1372 781.27,1373 552,1374 197,1375 535.987,1376 249.672,1377 534.7,1378 817.64,1379 502,1380 5.398}
{0 CHEMBL2089109,1 1.869,2 10.129,3 5.103,4 26.037,5 114.24,6 8.664,7 0.314,8 4.092,9 4.195,10 3.818,11 3.634,12 5.189,13 3.626,14 4.69,15 4.856,16 4.282,17 4.015,18 6.2,19 3.996,20 4.837,21 5.023,22 4.344,23 4.144,24 5.957,25 4.11,26 4.954,27 5.144,28 4.359,29 4.229,30 6.195,31 4.175,32 5.031,33 5.249,34 4.284,35 4.201,36 6.218,37 4.137,38 4.902,39 5.1,40 4.25,41 4.163,42 6.102,43 4.112,44 4.857,45 5.019,46 4.24,47 4.187,48 6.028,49 4.123,50 4.961,51 5.162,52 4.213,53 4.109,54 6.299,55 4.04,56 0.172,57 1.024,58 8.604,59 5.18,60 26.118,61 5.631,62 1.088,63 1.97,64 22.718,65 8.549,66 153.022,67 9.743,68 0.65,69 1.852,70 27.272,71 10.031,72 51.073,73 12.125,74 0.831,75 2.191,76 32.599,77 12.117,78 77.79,79 13.204,80 1.166,81 2.188,82 42.421,83 13.644,84 137.01,85 14.691,86 1.109,87 1.891,88 31.019,89 10.702,90 120.732,91 11.69,92 0.66,93 1.874,94 28.279,95 11.048,96 69.633,97 11.908,98 1.142,99 2.045,100 34.364,101 12.18,102 133.199,103 14.12,104 27,105 53,106 0.312,107 0.63,108 0.797,109 0.812,110 0.819,111 0.819,112 3.473,113 0.946,114 -6.12,115 -5.96,116 -5.54,119 40.4,120 1,121 2,122 1,125 5,132 1,142 3,143 3,147 1,152 1,158 2,162 1,172 10,174 4,175 5,183 8,186 1,187 9,195 5,198 4,199 7,207 2,211 3,212 10,220 6,224 9,232 11,236 1,237 8,245 10,249 2,250 6,258 3,263 4,275 1661,276 20.626,277 20.626,278 20.626,279 20.626,280 20.626,281 19.065,282 30.81,283 11.752,284 21.478,285 17.288,286 17.288,287 17.288,288 17.288,289 17.288,290 14.696,291 44.44,292 5.588,293 18.795,294 3.831,295 1.925,296 0.928,297 0.837,298 0.798,299 0.798,300 4.167,304 1,305 1,306 689,307 3.536,308 44.107,310 64.045,311 269.791,314 121.32,318 1.505,319 54.069,322 0.75,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.92,330 70.5,331 314,332 4.616,333 4.472,334 7.265,335 4.299,336 3.398,337 4.212,338 3.825,339 12.295,340 3.132,341 4.561,342 3.789,343 6.924,344 4.228,345 3.31,346 4.112,347 1.526,348 11.689,349 3.049,350 4.113,351 3.322,352 6.33,353 3.827,354 2.904,355 3.414,356 0.985,357 9.629,358 2.708,359 3.913,360 3.144,361 6.057,362 3.618,363 2.68,364 3.145,365 0.86,366 8.599,367 2.446,368 3.756,369 3.033,370 6.015,371 3.549,372 2.61,373 2.916,374 0.8,375 8.524,376 2.413,377 3.446,378 2.732,379 5.573,380 3.155,381 2.201,382 2.588,383 0.642,384 7.039,385 2.076,386 3.144,387 2.328,388 4.928,389 2.851,390 1.935,391 2.191,392 0.076,393 5.471,394 1.757,395 2.899,396 2.089,397 4.751,398 2.507,399 1.611,400 2.043,402 4.79,403 1.435,404 2.85,405 1.934,406 4.39,407 2.497,408 1.561,409 1.959,411 4.153,412 1.417,413 2.82,414 1.522,415 3.902,416 2.414,417 1.414,418 1.845,420 3.173,421 1.414,422 2.285,423 1.508,424 3.76,425 1.952,426 1.052,427 1.184,428 2.626,429 0.946,430 2.175,431 1.256,432 3.689,433 1.906,434 1,435 1.056,436 2.217,437 0.89,438 2,439 1.235,440 3.467,441 1.613,442 0.752,443 1,445 2.136,446 0.626,447 1.956,448 0.909,449 3.247,450 1.562,451 0.606,452 0.748,454 1.7,455 0.575,456 1.294,457 0.551,458 3.048,459 1.002,460 0.029,461 0.033,463 0.072,464 0.028,465 14.457,466 0.466,467 1.018,468 0.033,469 35.5,470 1.145,471 14,472 0.452,473 21.5,474 0.694,475 32.114,476 1.036,477 34.743,478 0.668,479 28.731,480 0.927,481 6.657,482 0.215,483 8.169,484 0.264,485 0.117,486 0.035,487 0.367,490 3,493 0.601,494 1.103,495 0.638,496 1.047,497 0.539,498 0.953,499 0.574,500 0.737,501 0.721,502 0.851,503 0.361,504 0.846,505 0.661,506 0.991,507 0.717,508 0.975,509 0.511,510 0.894,511 0.857,512 1.064,513 1.138,514 1.14,515 0.806,516 1.076,517 1.093,518 1.045,519 1.244,520 1.101,521 1.137,522 0.997,523 1.08,524 0.723,525 1.056,526 0.755,527 1.164,528 0.869,529 0.809,530 0.979,531 1.292,532 1.282,533 0.777,534 1.236,535 0.772,536 0.894,537 1.096,538 1.181,539 0.87,540 1.192,541 7,542 0.137,543 4.056,544 2.535,545 2.188,546 1.389,547 0.816,548 0.8,549 0.536,550 0.393,551 12031,552 39849,553 2.112,554 40.4,555 7,556 13,560 1,564 1.744,565 1.948,566 3.298,567 -0.671,573 97.191,574 1.869,575 3.776,576 4.772,577 4.864,578 4.902,579 4.902,580 2.75,581 4.478,582 4.926,583 3.472,584 1614.61,585 8.647,586 22059.5,591 296.423,592 1.633,593 4.868,594 0.2,595 0.007,596 0.081,597 0.047,598 0.041,599 0.028,600 0.016,601 0.016,602 0.012,603 0.011,604 0.459,605 0.17,606 0.75,607 0.744,608 157.592,609 -0.035,610 -0.151,611 0.06,612 -0.047,613 -0.048,614 -0.009,615 0.295,616 0.247,617 0.163,618 0.119,619 0.389,620 0.082,621 -0.006,622 -0.172,623 0.178,624 -0.005,625 0.028,626 0.083,627 -0.071,628 -0.086,629 -0.13,630 -0.101,631 -0.02,632 -0.114,633 -0.123,634 -0.013,635 -0.131,636 -0.028,637 -0.126,638 0.002,639 -0.157,640 0.238,641 -0.12,642 0.208,643 -0.184,644 0.071,645 -0.132,646 -0.114,647 -0.312,648 -0.222,649 -0.088,650 -0.278,651 0.134,652 0.009,653 -0.107,654 -0.186,655 0.08,656 -0.211,657 5.666,658 5.739,659 0.774,660 27.954,661 1.029,662 1.144,663 4.886,664 23.877,665 0.673,666 3.584,667 3.989,668 4.263,669 4.575,670 4.836,671 5.004,672 5.209,673 5.389,674 5.497,675 5.595,676 6.208,677 0.656,678 450.53,679 3.584,680 5.176,681 6.061,682 6.984,683 7.889,684 8.815,685 9.729,686 10.657,687 11.577,688 12.507,689 7.7,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,731 52,733 13,734 1,735 35,737 56,738 21,739 9,740 3,741 3,742 2,746 5,747 6,752 2,755 2,756 1,757 1,758 2,761 11,762 10,763 1,766 2,771 1,774 1,775 2,779 3,781 21,782 9,784 10,785 1,790 4,791 1,794 0.8,795 2,809 1,811 1,812 3,815 1,839 1,840 4,842 1,844 1,846 3,848 31,854 7,856 1,858 1,859 2,860 1,863 1,869 3,870 3.8,873 1,874 1,877 15.917,878 9.812,879 6.472,880 3.292,881 2.436,882 1.304,883 1.011,884 5.301,885 10.46,886 3.773,887 4.366,888 4.917,889 5.472,890 5.928,891 6.268,892 6.622,893 6.982,894 7.274,895 7.544,896 0.857,897 54,898 12.041,900 5.811,901 8.105,902 21.782,904 18.876,905 2.605,906 80.75,909 1,910 247.193,911 117.638,912 39.82,914 36.145,915 44.88,916 31.278,917 86.361,918 283.338,919 84.7,920 8.825,921 20.571,922 28.429,923 59.963,924 77.972,925 3.686,926 278.471,927 7.76,928 247.193,929 126.18,930 81.025,931 31.278,933 247.193,934 70.025,935 11,937 54.442,938 54.953,939 16.786,940 31.278,941 292.073,942 75.965,943 117.638,946 254.953,947 72.625,948 43.503,950 114.596,951 247.193,952 120.845,953 117.638,955 0.603,956 0.34,957 0.185,958 0.1,959 29,960 13,961 0.071,962 4,963 1,964 1.083,965 4.077,966 305.756,967 0.083,968 24,969 142.825,970 1,974 20.902,975 7.862,976 4.102,978 120.845,979 4.217,980 4.755,983 1.291,984 1.757,987 485.676,988 42.5,993 12.739,996 4.331,997 0.305,999 53.512,1000 59.503,1001 0.328,1002 0.662,1003 0.837,1004 0.853,1005 0.86,1006 0.86,1007 5.086,1008 1.611,1009 6.107,1010 5.471,1011 4.673,1012 5.053,1013 3.398,1014 7.017,1015 4.519,1016 6.321,1017 1.561,1018 7.737,1019 4.79,1020 4.575,1021 5.037,1022 3.947,1023 8.241,1024 4.31,1025 7.666,1026 1.414,1027 9.475,1028 4.153,1029 6.415,1030 7.215,1031 5.469,1032 11.31,1033 6.11,1034 9.042,1035 1.052,1036 11.275,1037 3.173,1038 7.074,1039 7.974,1040 6.697,1041 13.291,1042 6.655,1043 10.451,1044 1,1045 13.113,1046 2.626,1047 8.479,1048 9.7,1049 8.064,1050 15.956,1051 8.01,1052 11.881,1053 0.752,1054 14.977,1055 2.217,1056 9.447,1057 10.806,1058 9.39,1059 18.229,1060 8.874,1061 13.329,1062 0.606,1063 16.86,1064 2.136,1065 10.706,1066 12.356,1067 10.735,1068 20.769,1069 10.07,1070 3.398,1071 0.029,1072 18.757,1073 1.7,1074 11.805,1075 13.626,1076 12.074,1077 23.164,1078 11.073,1079 3.31,1080 12.295,1081 20.665,1082 0.072,1083 13.016,1084 15.104,1085 13.417,1086 25.664,1087 12.213,1088 2.904,1089 11.689,1090 22.581,1091 4.212,1092 14.171,1093 16.453,1094 14.758,1095 28.112,1096 13.279,1097 2.68,1098 9.629,1099 24.505,1100 4.112,1101 15.37,1102 17.899,1103 16.1,1104 30.602,1105 14.401,1106 2.61,1107 8.599,1108 26.436,1109 3.414,1110 16.551,1111 19.287,1112 17.441,1113 33.073,1114 15.497,1115 2.201,1116 8.524,1117 28.372,1118 3.145,1119 17.75,1120 20.721,1121 18.783,1122 35.561,1123 16.616,1124 1.935,1125 7.039,1126 30.312,1127 2.916,1128 18.944,1129 22.128,1130 20.124,1131 38.044,1132 17.726,1133 11316,1134 20769,1135 23.175,1136 35.006,1137 55.226,1138 55.045,1139 55.835,1140 54.277,1141 54.125,1142 64.89,1143 17.431,1144 168.223,1145 49.825,1146 5.616,1147 6.472,1148 7.067,1149 5.45,1150 5.398,1151 7.212,1152 5.335,1153 20.017,1154 5.132,1155 16.08,1156 1.578,1157 1.573,1158 1.595,1159 1.551,1160 1.546,1161 1.854,1162 0.498,1163 4.806,1164 1.424,1165 4.061,1166 4.096,1167 4.278,1168 3.972,1169 8.513,1170 3.961,1171 3.931,1172 3.958,1173 3.934,1174 3.866,1175 7.999,1176 3.851,1177 3.835,1178 3.883,1179 3.794,1180 3.748,1181 7.999,1182 3.716,1183 3.679,1184 3.721,1185 3.592,1186 3.485,1187 7.431,1188 3.496,1189 3.371,1190 3.415,1191 3.393,1192 3.152,1193 4.857,1194 3.165,1195 3.204,1196 3.262,1197 3.266,1198 3.039,1199 4.672,1200 3.026,1201 3.173,1202 3.236,1203 3.054,1204 2.957,1205 4.6,1206 2.98,1207 3.111,1208 3.206,1209 2.936,1210 2.941,1211 4.451,1212 2.91,1213 0.132,1214 0.128,1215 0.208,1216 0.123,1217 0.097,1218 4.616,1219 0.12,1220 4.472,1221 0.109,1222 7.265,1223 0.351,1224 4.299,1225 0.089,1226 3.398,1227 4.212,1228 3.825,1229 12.295,1230 3.132,1231 1.955,1232 1.931,1233 2.054,1234 2.049,1235 1.248,1236 2.049,1237 1.708,1238 1.668,1239 1.911,1240 1.951,1241 1.199,1242 1.944,1243 1.685,1244 1.644,1245 1.726,1246 1.865,1247 0.97,1248 1.831,1249 1.235,1250 1.224,1251 1.553,1252 1.48,1253 0.825,1254 1.47,1255 1.209,1256 1.134,1257 1.513,1258 1.418,1259 0.825,1260 1.429,1261 1.172,1262 1.129,1263 1.513,1264 1.376,1265 0.717,1266 1.429,1267 1.153,1268 1.064,1269 1.41,1270 1.376,1271 0.604,1272 1.427,1273 1.153,1274 1.064,1275 1.29,1276 1.355,1277 0.559,1278 1.326,1279 4.263,1280 1.946,1281 5.645,1282 3.932,1283 7.22,1284 5.861,1285 8.882,1286 7.776,1287 10.591,1289 1.488,1291 40.24,1295 4.579,1297 5.396,1299 0.15,1300 3.918,1301 -4.416,1305 34.12,1306 97.191,1307 196.345,1308 248.158,1309 252.913,1310 254.913,1311 254.913,1312 68.151,1313 8.024,1314 60.25,1315 88.49,1316 26,1317 13.011,1318 3.807,1319 3.087,1320 43.278,1321 111,1322 124,1323 0.185,1324 204.646,1325 368.08,1326 491.096,1327 32255,1328 5.8,1329 21.75,1330 0.702,1331 0.572,1332 19.604,1333 17.723,1334 14.826,1335 0.424,1336 0.315,1337 10.082,1338 13.609,1339 9.853,1340 7.992,1341 14.022,1342 11.04,1343 14.594,1344 0.275,1345 0.169,1346 13.214,1347 8.949,1348 11.585,1349 0.166,1350 0.095,1351 11.77,1352 6.649,1353 10.056,1354 0.105,1355 0.051,1356 9.993,1357 4.901,1358 8.114,1359 0.065,1360 0.027,1361 8.42,1362 3.381,1363 0.283,1364 98.792,1365 0.208,1366 28.42,1367 0.537,1368 176,1369 699.245,1370 234.282,1371 604.822,1372 801.57,1373 564,1374 214,1375 553.987,1376 267.005,1377 553.204,1378 848.21,1379 520,1380 5.886}
{0 CHEMBL2089110,1 1.835,2 10.235,3 6.009,4 36.109,5 127.014,6 8.847,7 0.447,8 4.141,9 4.24,10 3.882,11 3.71,12 5.293,13 3.703,14 4.72,15 4.871,16 4.361,17 4.107,18 6.254,19 4.094,20 4.889,21 5.06,22 4.413,23 4.249,24 6.035,25 4.211,26 5.012,27 5.204,28 4.428,29 4.295,30 6.264,31 4.243,32 5.055,33 5.267,34 4.387,35 4.275,36 6.287,37 4.23,38 4.958,39 5.134,40 4.405,41 4.291,42 6.224,43 4.26,44 4.98,45 5.137,46 4.444,47 4.356,48 6.213,49 4.301,50 5.036,51 5.211,52 4.407,53 4.296,54 6.423,55 4.232,56 0.164,57 1.044,58 8.287,59 5.283,60 24.029,61 5.592,62 1.066,63 2.067,64 21.459,65 8.818,66 146.511,67 9.508,68 0.599,69 1.97,70 26.15,71 10.951,72 47.639,73 12.668,74 0.818,75 2.317,76 33.698,77 12.998,78 77.443,79 14.112,80 1.142,81 2.358,82 42.061,83 13.9,84 126.917,85 14.465,86 1.039,87 2.109,88 28.286,89 11.123,90 108.894,91 11.584,92 0.737,93 2.114,94 29.149,95 12.302,96 84.943,97 12.691,98 1.133,99 2.335,100 36.116,101 13.793,102 124.402,103 14.799,104 27,105 56,106 0.3,107 0.619,108 0.744,109 0.804,110 0.827,111 0.827,112 3.562,113 0.915,114 -6.79,115 -6.6,116 -6.11,119 43.6,120 1,125 5,132 1,142 8,143 4,147 1,152 1,158 2,162 1,172 13,174 4,175 5,183 14,186 1,187 9,195 8,198 4,199 11,207 2,211 3,212 12,220 6,224 13,232 13,236 1,237 10,245 17,249 2,250 8,258 12,263 5,271 5,275 2232,276 22.747,277 22.747,278 22.747,279 22.747,280 22.747,281 20.474,282 28.799,283 13.238,284 23.599,285 18.788,286 18.788,287 18.788,288 18.788,289 18.788,290 15.225,291 41.924,292 6.311,293 20.295,294 3.946,295 1.993,296 1.227,297 0.864,298 0.718,299 0.718,300 4.265,305 1,306 757,307 3.536,310 71.621,311 388.509,314 133.455,318 1.484,319 55.35,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 76.5,331 348,332 4.622,333 4.472,334 7.265,335 4.296,336 3.397,337 4.228,338 3.825,339 12.295,340 3.124,341 4.563,342 3.745,343 6.919,344 4.217,345 3.3,346 4.112,347 1.237,348 11.675,349 3.032,350 4.174,351 3.25,352 6.31,353 3.779,354 2.869,355 3.712,356 0.935,357 9.567,358 2.637,359 3.92,360 3.128,361 6.054,362 3.605,363 2.667,364 3.16,365 0.86,366 8.579,367 2.438,368 3.804,369 2.976,370 6.005,371 3.525,372 2.575,373 3.087,374 0.8,375 8.478,376 2.408,377 3.462,378 2.656,379 5.546,380 3.147,381 2.191,382 2.642,383 0.349,384 6.958,385 2.073,386 3.35,387 2.303,388 4.876,389 2.879,390 1.945,391 2.569,393 5.319,394 1.81,395 2.947,396 2.079,397 4.734,398 2.585,399 1.67,400 2.076,402 4.763,403 1.512,404 2.87,405 1.945,406 4.381,407 2.507,408 1.577,409 1.997,411 4.143,412 1.427,413 2.844,414 1.562,415 3.904,416 2.414,417 1.414,418 1.923,420 3.174,421 1.414,422 2.68,423 1.512,424 3.77,425 2.234,426 1.284,427 1.718,428 2.978,429 1.208,430 2.5,431 1.256,432 3.746,433 2,434 1,435 1.5,436 2.532,437 1,438 2.262,439 1.247,440 3.485,441 1.952,442 1,443 1.159,445 2.208,446 0.946,447 2.175,448 1.218,449 3.363,450 1.866,451 1,452 1.047,454 2.136,455 0.858,456 2,457 1,458 3.247,459 1.597,460 0.746,461 1,463 2.136,464 0.619,465 15.957,466 0.469,467 1.018,468 0.03,469 43,470 1.265,471 20,472 0.588,473 23,474 0.676,475 32.702,476 0.962,477 36.843,478 0.67,479 37.355,480 1.099,481 8.573,482 0.252,483 7.752,484 0.228,485 0.106,486 0.031,487 0.332,490 3,493 0.603,494 1.054,495 0.633,496 0.997,497 0.556,498 0.908,499 0.587,500 0.712,501 0.72,502 0.811,503 0.382,504 0.802,505 0.645,506 1.001,507 0.76,508 1.033,509 0.514,510 0.976,511 0.834,512 1.08,513 1.102,514 1.133,515 0.795,516 1.054,517 1.135,518 1.014,519 1.235,520 1.011,521 1.138,522 0.889,523 1.072,524 0.741,525 0.966,526 0.731,527 1.146,528 0.846,529 0.847,530 0.868,531 1.156,532 1.073,533 0.857,534 1.069,535 0.797,536 0.89,537 1.24,538 1.227,539 0.903,540 1.166,541 7,542 0.21,543 4.444,544 2.722,545 2.344,546 1.542,547 1.028,548 0.941,549 0.635,550 0.451,551 14949,552 50236,553 2.102,554 38.2,555 3,556 18,564 1.77,565 1.952,566 3.312,567 -0.7,573 100.942,574 1.835,575 3.788,576 4.554,577 4.918,578 5.063,579 5.063,580 2.735,581 4.595,582 5.058,583 3.497,584 1961.9,585 8.928,586 28784.9,591 317.975,592 1.583,593 5.007,594 0.184,595 0.006,596 0.079,597 0.046,598 0.04,599 0.027,600 0.017,601 0.015,602 0.011,603 0.01,604 0.435,605 0.17,606 0.63,607 0.706,608 177.629,609 -0.033,610 -0.139,611 0.056,612 -0.045,613 -0.067,614 -0.012,615 0.297,616 0.281,617 0.149,618 0.143,619 0.378,620 0.096,622 -0.184,623 0.12,624 -0.071,625 0.026,626 -0.01,627 -0.042,628 -0.127,629 -0.076,630 -0.112,631 -0.005,632 -0.089,633 -0.137,634 0.043,635 -0.106,636 0.051,637 -0.121,638 0.096,639 -0.149,640 0.234,641 -0.103,642 0.189,643 -0.17,644 0.06,645 -0.14,646 -0.036,647 -0.194,648 -0.057,649 -0.111,650 -0.135,651 0.11,652 0.037,653 -0.167,654 -0.162,655 0.052,656 -0.191,657 5.705,658 5.98,659 0.794,660 32.45,661 1.027,662 1.136,663 5.556,664 30.865,665 0.691,666 3.664,667 4.043,668 4.344,669 4.654,670 4.927,671 5.081,672 5.313,673 5.517,674 5.67,675 5.796,676 6.456,677 0.675,678 486.56,679 3.664,680 5.242,681 6.116,682 7.027,683 7.923,684 8.841,685 9.748,686 10.67,687 11.583,688 12.507,689 7.3,695 2,698 1,699 1,704 8,705 1,708 1,709 7,711 17,726 2,731 55,733 19,734 2,735 38,737 59,738 24,739 15,740 4,741 8,742 2,746 5,747 6,752 2,757 1,761 17,762 7,766 2,771 1,774 1,775 2,779 3,781 21,782 9,784 10,785 1,790 4,791 1,794 0.8,795 2,811 1,812 4,815 1,839 1,840 4,842 1,844 1,846 3,848 34,854 5,856 1,859 2,860 1,863 1,869 3,870 3.6,873 1,874 1,877 17.417,878 10.395,879 7.222,880 3.299,881 3.089,882 1.373,883 1.016,884 6.176,885 11.365,886 3.902,887 4.503,888 5.09,889 5.658,890 6.156,891 6.461,892 6.882,893 7.291,894 7.673,895 8.016,896 0.857,897 59,898 13.132,900 6.215,901 8.091,902 23.593,904 19.82,905 2.591,906 88.083,910 247.193,911 163.136,912 39.82,914 36.145,915 44.88,916 31.278,917 131.859,918 283.338,919 84.7,920 8.825,921 15.502,922 75.81,923 59.963,924 81.158,925 3.686,926 278.471,927 7.76,928 247.193,929 171.678,930 81.025,931 31.278,933 247.193,934 70.025,935 11,937 49.373,938 105.52,939 16.786,940 31.278,941 292.073,942 75.965,943 163.136,946 254.953,947 70.742,948 90.884,950 114.596,951 247.193,952 120.845,953 163.136,955 0.594,956 0.347,957 0.191,958 0.106,959 29,960 13,961 0.068,962 4,963 1,964 1.074,965 4.25,966 346.528,967 0.074,968 27,969 160.219,970 1,974 23.01,975 9.125,976 4.503,978 120.845,979 13.282,980 4.77,983 1.254,984 2.116,987 531.174,988 48.5,993 12.98,996 4.339,997 -0.031,999 56.512,1000 62.503,1001 0.317,1002 0.655,1003 0.788,1004 0.851,1005 0.876,1006 0.876,1007 5.183,1008 1.67,1009 6.146,1010 5.319,1011 4.727,1012 5.19,1013 3.337,1014 7.038,1015 4.582,1016 6.407,1017 1.577,1018 7.76,1019 4.763,1020 4.511,1021 5.047,1022 3.919,1023 8.212,1024 4.226,1025 7.739,1026 1.414,1027 9.485,1028 4.143,1029 6.431,1030 7.363,1031 5.452,1032 11.306,1033 6.132,1034 9.106,1035 1.284,1036 11.277,1037 3.174,1038 7.031,1039 8.033,1040 6.691,1041 13.277,1042 6.588,1043 10.507,1044 1,1045 13.11,1046 2.978,1047 8.47,1048 9.844,1049 8.06,1050 15.947,1051 7.997,1052 11.933,1053 1,1054 14.971,1055 2.532,1056 9.412,1057 10.889,1058 9.389,1059 18.219,1060 8.812,1061 13.377,1062 1,1063 16.852,1064 2.208,1065 10.684,1066 12.489,1067 10.735,1068 20.759,1069 10.032,1070 3.397,1071 0.746,1072 18.748,1073 2.136,1074 11.773,1075 13.72,1076 12.074,1077 23.155,1078 11.011,1079 3.3,1080 12.295,1081 20.656,1082 2.136,1083 12.989,1084 15.224,1085 13.417,1086 25.655,1087 12.16,1088 2.869,1089 11.675,1090 22.572,1091 4.228,1092 14.141,1093 16.548,1094 14.758,1095 28.103,1096 13.214,1097 2.667,1098 9.567,1099 24.497,1100 4.112,1101 15.342,1102 18.008,1103 16.1,1104 30.593,1105 14.339,1106 2.575,1107 8.579,1108 26.427,1109 3.712,1110 16.521,1111 19.381,1112 17.441,1113 33.065,1114 15.428,1115 2.191,1116 8.478,1117 28.363,1118 3.16,1119 17.721,1120 20.821,1121 18.783,1122 35.554,1123 16.547,1124 1.945,1125 6.958,1126 30.304,1127 3.087,1128 18.914,1129 22.218,1130 20.124,1131 38.036,1132 17.652,1133 14133,1134 26107,1135 25.255,1136 38.006,1137 59.434,1138 59.238,1139 59.532,1140 58.579,1141 58.329,1142 73.262,1143 16.013,1144 176.77,1145 54.03,1146 5.622,1147 6.472,1148 7.067,1149 5.445,1150 5.397,1151 7.228,1152 5.335,1153 20.016,1154 5.124,1155 17.072,1156 1.564,1157 1.559,1158 1.567,1159 1.542,1160 1.535,1161 1.928,1162 0.421,1163 4.652,1164 1.422,1165 4.055,1166 4.085,1167 4.278,1168 3.974,1169 8.513,1170 3.964,1171 3.929,1172 3.953,1173 3.936,1174 3.869,1175 7.999,1176 3.859,1177 3.85,1178 3.885,1179 3.836,1180 3.798,1181 7.999,1182 3.764,1183 3.699,1184 3.743,1185 3.605,1186 3.493,1187 7.431,1188 3.509,1189 3.375,1190 3.418,1191 3.425,1192 3.189,1193 4.888,1194 3.186,1195 3.257,1196 3.295,1197 3.322,1198 3.05,1199 4.735,1200 3.076,1201 3.176,1202 3.257,1203 3.055,1204 3.025,1205 4.671,1206 3.011,1207 3.111,1208 3.206,1209 2.941,1210 2.941,1211 4.587,1212 2.91,1213 0.122,1214 0.118,1215 0.191,1216 0.113,1217 0.089,1218 4.622,1219 0.111,1220 4.472,1221 0.101,1222 7.265,1223 0.324,1224 4.296,1225 0.082,1226 3.397,1227 4.228,1228 3.825,1229 12.295,1230 3.124,1231 1.964,1232 1.939,1233 2.061,1234 2.064,1235 1.249,1236 2.061,1237 1.903,1238 1.878,1239 2.014,1240 1.989,1241 1.199,1242 1.996,1243 1.708,1244 1.656,1245 1.911,1246 1.95,1247 1.093,1248 1.944,1249 1.611,1250 1.588,1251 1.654,1252 1.778,1253 0.831,1254 1.754,1255 1.233,1256 1.211,1257 1.552,1258 1.476,1259 0.825,1260 1.47,1261 1.209,1262 1.133,1263 1.513,1264 1.418,1265 0.606,1266 1.429,1267 1.153,1268 1.081,1269 1.349,1270 1.376,1271 0.565,1272 1.421,1273 1.11,1274 1.064,1275 1.181,1276 1.351,1277 0.353,1278 1.316,1279 4.344,1281 5.707,1282 2.398,1283 7.268,1284 4.727,1285 8.917,1286 6.88,1287 10.616,1289 1.466,1291 40.62,1295 2.531,1297 5.415,1300 3.796,1301 -4.455,1305 37.12,1306 100.942,1307 208.359,1308 250.465,1309 270.465,1310 278.465,1311 278.465,1312 74.623,1313 8.276,1314 60.25,1315 88.49,1316 29,1317 13.015,1318 4.322,1319 3.524,1320 49.45,1321 124,1322 145,1323 0.185,1324 224.641,1325 401.16,1326 539.884,1327 43712,1328 5.5,1329 23.872,1330 0.702,1331 0.562,1332 21.725,1333 19.118,1334 16.326,1335 0.43,1336 0.305,1337 10.637,1338 15.109,1339 10.38,1340 8.478,1341 15.522,1342 11.595,1343 15.654,1344 0.28,1345 0.161,1346 14.275,1347 9.006,1348 12.902,1349 0.17,1350 0.092,1351 13.087,1352 6.998,1353 11.19,1354 0.108,1355 0.049,1356 11.127,1357 5.117,1358 9.195,1359 0.067,1360 0.026,1361 9.502,1362 3.529,1363 0.281,1364 107.792,1365 0.199,1366 30.613,1367 0.54,1368 188,1369 743.245,1370 246.282,1371 651.845,1372 866.96,1373 608,1374 226,1375 601.987,1376 279.005,1377 604.61,1378 920.56,1379 568,1380 5.495}
{0 CHEMBL2089111,1 1.808,2 10.371,3 6.044,4 36.529,5 131.563,6 8.631,7 0.436,8 4.186,9 4.288,10 3.906,11 3.752,12 5.319,13 3.74,14 4.769,15 4.925,16 4.378,17 4.15,18 6.271,19 4.129,20 4.946,21 5.124,22 4.417,23 4.294,24 6.062,25 4.245,26 5.074,27 5.273,28 4.424,29 4.338,30 6.278,31 4.266,32 5.121,33 5.35,34 4.379,35 4.291,36 6.302,37 4.235,38 4.971,39 5.144,40 4.407,41 4.309,42 6.212,43 4.277,44 5.054,45 5.221,46 4.486,47 4.406,48 6.273,49 4.355,50 5.138,51 5.324,52 4.485,53 4.384,54 6.485,55 4.309,56 0.146,57 1.082,58 9.374,59 5.64,60 23.609,61 6.152,62 1.06,63 2.13,64 23.525,65 9.424,66 148.255,67 10.547,68 0.6,69 2.048,70 28.781,71 11.572,72 47.293,73 13.712,74 0.771,75 2.391,76 37.033,77 14.336,78 80.776,79 16.275,80 1.204,81 2.423,82 46.85,83 14.586,84 142.072,85 15.849,86 0.949,87 2.16,88 30.306,89 11.415,90 93.637,91 12.193,92 0.754,93 2.224,94 30.755,95 12.676,96 84.839,97 13.849,98 1.185,99 2.497,100 42.092,101 15.555,102 143.453,103 17.28,104 27,105 57,106 0.293,107 0.604,108 0.743,109 0.799,110 0.832,111 0.832,112 3.589,113 0.927,114 -6.72,115 -6.54,116 -6.06,119 43.1,120 1,121 1,125 5,132 1,142 8,143 4,147 1,152 1,158 2,162 1,172 14,174 4,175 5,183 16,186 1,187 7,195 10,198 4,199 11,207 3,211 3,212 12,220 5,224 15,232 10,236 1,237 11,245 15,249 2,250 10,258 15,263 6,271 11,275 2496,276 23.402,277 23.402,278 23.402,279 23.402,280 23.402,281 21.065,282 31.856,283 13.675,284 24.261,285 19.294,286 19.294,287 19.294,288 19.294,289 19.294,290 15.661,291 45.871,292 6.547,293 20.809,294 4.05,295 2.127,296 1.267,297 0.923,298 0.716,299 0.716,300 4.292,306 788,307 3.674,310 75.664,311 411.084,314 140.589,318 1.561,319 55.636,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.66,330 78.5,331 363,332 4.604,333 4.472,334 7.265,335 4.292,336 3.396,337 4.208,338 3.825,339 12.293,340 3.114,341 4.555,342 3.759,343 6.858,344 4.189,345 3.275,346 4.111,347 1.594,348 11.457,349 2.997,350 4.052,351 3.268,352 6.183,353 3.718,354 2.817,355 3.503,356 1.001,357 9.188,358 2.575,359 3.916,360 3.133,361 6.043,362 3.594,363 2.657,364 3.251,365 0.86,366 8.562,367 2.453,368 3.847,369 3,370 5.868,371 3.524,372 2.549,373 3.138,374 0.8,375 8.002,376 2.417,377 3.567,378 2.735,379 5.433,380 3.232,381 2.28,382 2.757,383 0.738,384 6.998,385 2.148,386 3.424,387 2.453,388 5.14,389 3.008,390 2.064,391 2.581,392 0.203,393 6.091,394 1.934,395 2.949,396 2.222,397 4.775,398 2.607,399 1.707,400 2.083,402 4.866,403 1.529,404 2.882,405 2.017,406 4.419,407 2.507,408 1.579,409 2.035,411 4.279,412 1.428,413 2.85,414 1.616,415 3.92,416 2.414,417 1.429,418 1.969,420 3.175,421 1.414,422 2.83,423 1.513,424 3.811,425 2.411,426 1.414,427 1.881,428 3.117,429 1.39,430 2.5,431 1.482,432 3.754,433 2,434 1.077,435 1.5,436 2.657,437 1,438 2.321,439 1.256,440 3.539,441 1.952,442 1,443 1.224,445 2.227,446 0.946,447 2.175,448 1.235,449 3.463,450 1.937,451 1,452 1.066,454 2.136,455 0.916,456 2,457 1,458 3.247,459 1.66,460 0.764,461 1,463 2.136,464 0.661,465 16.457,466 0.47,467 1.035,468 0.03,469 43.5,470 1.243,471 20,472 0.571,473 23.5,474 0.671,475 34.81,476 0.995,477 38.143,478 0.658,479 37.591,480 1.074,481 8.665,482 0.248,483 8.144,484 0.233,485 0.103,486 0.03,487 0.322,490 3,493 0.6,494 1.067,495 0.647,496 1.013,497 0.553,498 0.926,499 0.581,500 0.73,501 0.731,502 0.837,503 0.38,504 0.832,505 0.663,506 0.977,507 0.808,508 1.029,509 0.522,510 1,511 0.776,512 1.107,513 1.081,514 1.191,515 0.767,516 1.117,517 1.154,518 0.981,519 1.207,520 0.945,521 1.168,522 0.84,523 1.054,524 0.831,525 1.069,526 0.872,527 1.085,528 0.917,529 0.869,530 0.841,531 1.022,532 0.962,533 0.868,534 1.02,535 0.787,536 0.87,537 1.185,538 1.184,539 0.911,540 1.103,541 7.5,542 0.252,543 4.222,544 2.722,545 2.344,546 1.469,547 1.039,548 0.965,549 0.632,550 0.522,551 16472,552 53761,553 2.099,554 39.7,555 3,556 18,560 2,564 1.777,565 1.953,566 3.333,567 -0.709,573 104.87,574 1.808,575 3.731,576 4.591,577 4.935,578 5.142,579 5.142,580 2.741,581 4.708,582 5.099,583 3.545,584 2109.13,585 9.012,586 32063.9,591 339.763,592 1.566,593 5.051,594 0.192,595 0.006,596 0.074,597 0.046,598 0.04,599 0.026,600 0.017,601 0.015,602 0.011,603 0.01,604 0.438,605 0.17,606 0.63,607 0.694,608 185.263,609 -0.029,610 -0.137,611 0.058,612 -0.043,613 -0.063,614 -0.01,615 0.304,616 0.267,617 0.147,618 0.126,619 0.378,620 0.081,621 -0.015,622 -0.149,623 0.074,624 -0.067,625 0.014,626 -0.035,627 -0.004,628 -0.17,629 -0.054,630 -0.16,631 0.012,632 -0.129,633 -0.136,634 0.054,635 -0.062,636 0.101,637 -0.129,638 0.147,639 -0.136,640 0.185,641 -0.17,642 0.081,643 -0.146,644 -0.012,645 -0.142,646 -0.011,647 -0.133,648 -0.008,649 -0.101,650 -0.097,651 0.118,652 0.036,653 -0.084,654 -0.105,655 0.063,656 -0.113,657 5.7,658 5.997,659 0.771,660 35.848,661 1.024,662 1.137,663 5.49,664 30.144,665 0.686,666 3.689,667 4.06,668 4.344,669 4.644,670 4.905,671 5.05,672 5.268,673 5.485,674 5.635,675 5.778,676 6.718,677 0.666,678 500.59,679 3.689,680 5.263,681 6.129,682 7.034,683 7.922,684 8.834,685 9.732,686 10.648,687 11.554,688 12.473,689 6.9,695 2,698 1,699 1,704 8,705 1,708 1,709 7,711 17,726 2,731 58,733 19,734 2,735 39,737 62,738 25,739 15,740 4,741 8,742 2,746 5,747 6,752 2,757 1,758 1,761 17,762 8,766 2,771 1,774 1,775 2,779 3,781 23,782 9,784 10,785 1,790 4,791 1,794 0.8,795 2,811 1,812 4,815 1,839 1,840 4,842 1,844 1,846 3,848 35,854 6,856 1,859 2,860 1,863 1,869 3,870 3.4,873 1,874 1,877 17.917,878 10.895,879 7.444,880 3.486,881 3.068,882 1.369,883 1.011,884 6.651,885 11.382,886 3.922,887 4.514,888 5.071,889 5.63,890 6.099,891 6.373,892 6.749,893 7.156,894 7.508,895 7.866,896 0.857,897 59,898 13.512,900 6.353,901 8.06,902 24.409,904 20.485,905 2.56,906 89.583,910 270.735,911 165.671,912 39.82,914 36.145,915 44.88,916 31.278,917 134.393,918 306.88,919 84.7,920 8.825,921 18.036,922 75.81,923 59.963,924 81.158,925 3.686,926 302.013,927 7.76,928 270.735,929 174.213,930 81.025,931 31.278,933 270.735,934 70.025,935 11,937 51.907,938 105.52,939 16.786,940 31.278,941 315.616,942 75.965,943 165.671,946 278.495,947 73.276,948 90.884,950 114.596,951 270.735,952 120.845,953 165.671,955 0.593,956 0.342,957 0.187,958 0.103,959 29,960 13,961 0.081,962 5,963 1,964 1.074,965 4.367,966 355.528,967 0.074,968 27,969 166.77,970 1,974 23.964,975 9.714,976 4.982,978 120.845,979 13.716,980 4.786,983 1.265,984 2.456,987 557.251,988 49.5,993 12.997,996 4.364,997 0.087,999 59.396,1000 65.918,1001 0.309,1002 0.637,1003 0.784,1004 0.843,1005 0.878,1006 0.878,1007 5.2,1008 1.707,1009 6.155,1010 6.091,1011 4.745,1012 5.201,1013 3.429,1014 7.031,1015 4.602,1016 6.419,1017 1.579,1018 7.758,1019 4.866,1020 4.511,1021 5.047,1022 3.947,1023 8.177,1024 4.226,1025 7.745,1026 1.429,1027 9.473,1028 4.279,1029 6.435,1030 7.357,1031 5.478,1032 11.261,1033 6.138,1034 9.106,1035 1.414,1036 11.254,1037 3.175,1038 7.013,1039 8.005,1040 6.698,1041 13.214,1042 6.566,1043 10.5,1044 1.077,1045 13.077,1046 3.117,1047 8.454,1048 9.815,1049 8.065,1050 15.878,1051 7.979,1052 11.918,1053 1,1054 14.93,1055 2.657,1056 9.381,1057 10.841,1058 9.39,1059 18.143,1060 8.77,1061 13.355,1062 1,1063 16.805,1064 2.227,1065 10.652,1066 12.44,1067 10.735,1068 20.679,1069 9.99,1070 3.396,1071 0.764,1072 18.695,1073 2.136,1074 11.732,1075 13.657,1076 12.075,1077 23.072,1078 10.951,1079 3.275,1080 12.293,1081 20.598,1082 2.136,1083 12.946,1084 15.161,1085 13.417,1086 25.57,1087 12.097,1088 2.817,1089 11.457,1090 22.512,1091 4.208,1092 14.092,1093 16.476,1094 14.758,1095 28.017,1096 13.138,1097 2.657,1098 9.188,1099 24.433,1100 4.111,1101 15.292,1102 17.935,1103 16.1,1104 30.506,1105 14.259,1106 2.549,1107 8.562,1108 26.363,1109 3.503,1110 16.468,1111 19.302,1112 17.441,1113 32.976,1114 15.339,1115 2.28,1116 8.002,1117 28.298,1118 3.251,1119 17.666,1120 20.742,1121 18.783,1122 35.464,1123 16.453,1124 2.064,1125 6.998,1126 30.238,1127 3.138,1128 18.857,1129 22.136,1130 20.124,1131 37.947,1132 17.552,1133 15562,1134 28331,1135 25.948,1136 39.767,1137 60.356,1138 60.179,1139 60.652,1140 59.682,1141 59.484,1142 74.393,1143 18.043,1144 178.516,1145 55.184,1146 5.604,1147 6.472,1148 7.067,1149 5.441,1150 5.396,1151 7.208,1152 5.335,1153 20.015,1154 5.114,1155 17.449,1156 1.548,1157 1.543,1158 1.555,1159 1.53,1160 1.525,1161 1.908,1162 0.463,1163 4.577,1164 1.415,1165 4.049,1166 4.081,1167 4.277,1168 3.968,1169 8.513,1170 3.957,1171 3.927,1172 3.953,1173 3.935,1174 3.867,1175 7.999,1176 3.857,1177 3.877,1178 3.908,1179 3.837,1180 3.826,1181 7.999,1182 3.795,1183 3.719,1184 3.768,1185 3.62,1186 3.503,1187 7.431,1188 3.522,1189 3.395,1190 3.433,1191 3.475,1192 3.272,1193 4.866,1194 3.25,1195 3.334,1196 3.38,1197 3.347,1198 3.095,1199 4.741,1200 3.127,1201 3.177,1202 3.259,1203 3.057,1204 3.035,1205 4.671,1206 3.016,1207 3.111,1208 3.206,1209 2.967,1210 2.941,1211 4.594,1212 2.91,1213 0.118,1214 0.115,1215 0.186,1216 0.11,1217 0.087,1218 4.604,1219 0.108,1220 4.472,1221 0.098,1222 7.265,1223 0.315,1224 4.292,1225 0.08,1226 3.396,1227 4.208,1228 3.825,1229 12.293,1230 3.114,1231 1.961,1232 1.936,1233 2.064,1234 2.061,1235 1.254,1236 2.061,1237 1.915,1238 1.887,1239 2.036,1240 1.998,1241 1.199,1242 2.011,1243 1.708,1244 1.66,1245 1.911,1246 1.951,1247 1.17,1248 1.944,1249 1.664,1250 1.632,1251 1.722,1252 1.836,1253 0.881,1254 1.81,1255 1.237,1256 1.226,1257 1.553,1258 1.481,1259 0.825,1260 1.47,1261 1.21,1262 1.152,1263 1.513,1264 1.418,1265 0.654,1266 1.431,1267 1.203,1268 1.133,1269 1.436,1270 1.376,1271 0.603,1272 1.429,1273 1.153,1274 1.066,1275 1.306,1276 1.362,1277 0.556,1278 1.365,1279 4.369,1281 5.727,1282 2.398,1283 7.277,1284 4.727,1285 8.916,1286 6.88,1287 10.603,1289 1.475,1291 40.688,1295 2.931,1297 5.423,1300 3.844,1301 -4.45,1305 38.647,1306 104.87,1307 216.405,1308 266.253,1309 286.253,1310 298.253,1311 298.253,1312 78.307,1313 8.314,1314 60.25,1315 88.49,1316 29,1317 12.985,1318 4.322,1319 3.524,1320 51.632,1321 132,1322 152,1323 0.179,1324 234.233,1325 418.46,1326 563.289,1327 46636,1328 5.2,1329 24.579,1330 0.702,1331 0.566,1332 22.432,1333 19.825,1334 16.809,1335 0.431,1336 0.309,1337 11.094,1338 15.588,1339 10.815,1340 8.836,1341 16.006,1342 12.052,1343 16.092,1344 0.282,1345 0.165,1346 14.713,1347 9.395,1348 13.094,1349 0.172,1350 0.095,1351 13.278,1352 7.25,1353 11.306,1354 0.11,1355 0.051,1356 11.243,1357 5.282,1358 9.165,1359 0.068,1360 0.027,1361 9.483,1362 3.667,1363 0.274,1364 110.691,1365 0.196,1366 31.493,1367 0.52,1368 192,1369 747.245,1370 250.282,1371 655.959,1372 870.72,1373 612,1374 229,1375 601.987,1376 281.672,1377 604.867,1378 917.72,1379 568,1380 5.602}
{0 CHEMBL2089112,1 1.963,2 10.133,3 3.886,4 15.103,5 108.694,6 8.99,7 0.333,8 4.037,9 4.134,10 3.777,11 3.536,12 5.215,13 3.546,14 4.628,15 4.784,16 4.267,17 3.932,18 6.211,19 3.938,20 4.775,21 4.946,22 4.322,23 4.087,24 5.982,25 4.064,26 4.912,27 5.095,28 4.328,29 4.155,30 6.209,31 4.107,32 4.986,33 5.206,34 4.234,35 4.075,36 6.309,37 4.029,38 4.768,39 4.946,40 4.184,41 3.997,42 6.066,43 3.982,44 4.775,45 4.937,46 4.182,47 4.022,48 6.064,49 3.995,50 4.871,51 5.064,52 4.159,53 3.91,54 6.335,55 3.881,56 0.267,57 0.965,58 7.515,59 4.751,60 38.694,61 4.858,62 1.188,63 1.866,64 20.579,65 7.681,66 165.274,67 8.27,68 0.807,69 1.759,70 23.718,71 9.202,72 68.076,73 10.681,74 0.954,75 2.056,76 30.261,77 11.872,78 101.319,79 12.671,80 1.538,81 1.966,82 42.579,83 12.432,84 199.635,85 13.091,86 1.104,87 1.638,88 26.416,89 9.057,90 123.276,91 9.331,92 0.856,93 1.64,94 22.906,95 9.142,96 93.921,97 9.62,98 1.341,99 1.755,100 32.47,101 10.576,102 168.404,103 11.606,104 41,105 49,106 0.333,107 0.67,108 0.813,109 0.83,110 0.836,111 0.836,112 3.441,113 0.919,114 -4.92,115 -4.83,116 -4.53,119 38.8,120 1,125 6,132 1,142 3,143 3,147 1,152 1,158 2,162 1,172 7,174 4,175 3,183 8,186 1,187 5,190 2,195 5,198 4,199 5,207 1,211 3,212 6,215 2,217 1,220 1,224 8,229 3,232 2,236 1,237 6,240 1,242 3,245 3,249 2,250 6,255 1,258 1,263 3,275 1500,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 18.256,282 29.401,283 11.355,284 20.723,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.584,291 41.378,292 5.294,293 17.793,294 3.652,295 1.666,296 0.822,297 0.725,298 0.684,299 0.684,300 4.131,304 1,305 1,306 650,307 3.606,310 61.6,311 262.046,314 117.696,318 1.551,319 58.907,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 69.5,331 304,332 4.603,333 4.472,334 7.265,335 4.292,336 3.396,337 4.206,338 3.825,339 12.293,340 3.112,341 4.554,342 3.754,343 6.855,344 4.183,345 3.271,346 4.111,347 1.614,348 11.439,349 2.986,350 4.009,351 3.253,352 6.176,353 3.696,354 2.802,355 3.308,356 1.006,357 9.148,358 2.487,359 3.896,360 3.128,361 6.043,362 3.583,363 2.652,364 3.14,365 0.86,366 8.562,367 2.421,368 3.609,369 2.969,370 5.843,371 3.303,372 2.365,373 2.776,374 0.8,375 7.812,376 2.199,377 3.429,378 2.611,379 5.271,380 3.038,381 2.093,382 2.581,383 0.759,384 6.312,385 1.96,386 2.935,387 2.259,388 4.777,389 2.602,390 1.717,391 2.066,392 0.22,393 4.873,394 1.505,395 2.864,396 2.029,397 4.424,398 2.507,399 1.578,400 1.981,402 4.285,403 1.426,404 2.841,405 1.628,406 3.917,407 2.414,408 1.414,409 1.896,411 3.174,412 1.414,413 2.347,414 1.512,415 3.789,416 1.99,417 1.127,418 1.263,420 2.72,421 0.961,422 2.175,423 1.256,424 3.75,425 1.952,426 1,427 1.075,428 2.239,429 0.946,430 2,431 1.246,432 3.471,433 1.729,434 0.827,435 1,436 2.136,437 0.732,438 1.992,439 1.205,440 3.247,441 1.588,442 0.726,443 0.885,445 2.011,446 0.614,447 1.568,448 0.907,449 3.055,450 1.17,451 0.26,452 0.305,454 0.451,455 0.233,456 1.291,457 0.538,458 2.712,459 0.944,460 -0.021,461 -0.026,463 -0.047,464 -0.02,465 13.79,466 0.46,467 0.967,468 0.032,469 34.75,470 1.158,471 14,472 0.467,473 20.75,474 0.692,475 29.608,476 0.987,477 34.21,478 0.698,479 29.776,480 0.993,481 6.996,482 0.233,483 7.295,484 0.243,485 0.147,486 0.036,487 0.348,490 3,493 0.68,494 1.129,495 0.647,496 1.055,497 0.624,498 0.949,499 0.644,500 0.715,501 0.712,502 0.788,503 0.442,504 0.769,505 0.637,506 0.965,507 0.754,508 0.993,509 0.511,510 0.946,511 0.799,512 1.131,513 1.117,514 1.26,515 0.781,516 1.179,517 1.101,518 0.992,519 1.26,520 1.026,521 1.127,522 0.93,523 1.067,524 0.856,525 1.106,526 0.96,527 1.12,528 0.979,529 0.879,530 0.943,531 1.093,532 1.12,533 0.86,534 1.166,535 0.929,536 0.914,537 1.113,538 1.178,539 1.04,540 1.144,541 7,542 0.144,543 4.222,544 2.66,545 2.273,546 1.351,547 0.871,548 0.778,549 0.491,550 0.331,551 10544,552 39958,553 2.04,554 38.8,555 3,556 15,559 1,564 1.735,565 1.865,566 3.312,567 -0.217,569 1,573 96.19,574 1.963,575 3.949,576 4.793,577 4.89,578 4.931,579 4.931,580 2.759,581 4.482,582 4.879,583 3.477,584 1512.46,585 8.546,586 20254,588 1,590 1,591 275.121,592 1.679,593 4.809,594 0.212,595 0.008,596 0.086,597 0.051,598 0.045,599 0.029,600 0.019,601 0.017,602 0.012,603 0.011,604 0.491,605 0.17,606 1,607 0.888,608 151.29,609 -0.074,610 -0.17,611 0.04,612 -0.042,613 -0.083,614 -0.011,615 0.224,616 0.282,617 0.163,618 0.19,619 0.322,620 0.152,621 0.007,622 -0.122,623 0.116,624 -0.009,625 0.034,626 0.031,627 -0.045,628 -0.164,629 -0.115,630 -0.192,631 -0.016,632 -0.183,633 -0.109,634 0.015,635 -0.107,636 0.045,637 -0.1,638 0.08,639 -0.155,640 0.158,641 -0.176,642 0.029,643 -0.178,644 -0.043,645 -0.144,646 -0.103,647 -0.222,648 -0.157,649 -0.108,650 -0.235,651 0.07,652 -0.026,653 -0.069,654 -0.18,655 0.014,656 -0.165,657 5.721,658 5.455,659 0.7,660 26.8,661 1.04,662 1.149,663 3.69,664 13.613,665 0.667,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.883,672 5.063,673 5.22,674 5.318,675 5.398,676 6.186,677 0.659,678 440.49,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.705,685 9.608,686 10.528,687 11.437,688 12.358,689 8.2,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,731 49,733 13,734 1,735 33,737 52,738 19,739 9,740 3,741 3,742 2,746 4,747 5,752 3,757 1,761 11,762 8,766 2,771 1,774 1,775 2,778 1,779 3,781 19,782 10,783 1,784 11,785 1,790 4,791 1,794 0.75,795 3,796 1,811 1,812 3,815 1,838 1,839 1,840 3,842 1,844 1,846 3,848 30,853 1,854 6,856 1,859 2,860 1,863 1,869 3,870 6.1,871 1,873 1,874 1,877 16.083,878 9.179,879 6.444,880 2.85,881 2.455,882 1.312,883 0.967,884 5.841,885 10.328,886 3.726,887 4.314,888 4.88,889 5.429,890 5.879,891 6.199,892 6.537,893 6.873,894 7.15,895 7.413,896 0.857,897 52,898 11.668,900 5.587,901 8.297,902 20.507,904 17.09,905 2.797,906 83.917,909 1,910 211.88,911 112.569,912 39.82,914 78.828,915 44.88,916 31.278,917 81.292,918 290.708,919 84.7,920 8.825,921 15.502,922 71.112,923 59.963,924 77.972,925 3.686,926 243.158,927 7.76,928 211.88,929 121.111,930 123.708,931 31.278,933 211.88,934 70.025,935 53.683,937 49.373,938 54.953,939 16.786,940 31.278,941 256.76,942 118.648,943 112.569,946 219.639,947 67.556,948 43.503,950 157.28,951 211.88,952 163.528,953 112.569,955 0.596,956 0.353,957 0.192,958 0.105,959 25,960 12,961 0.077,962 4,963 1,964 1.095,965 3.912,966 283.147,967 0.095,968 21,969 138.452,970 1,974 21.228,975 8.255,976 4.121,978 163.528,979 3.965,980 4.581,983 1.188,984 1.011,986 42.683,987 487.977,988 40.5,993 12.455,996 3.938,997 -0.453,999 50.956,1000 56.297,1001 0.35,1002 0.703,1003 0.854,1004 0.871,1005 0.878,1006 0.878,1007 5.022,1008 1.578,1009 6.023,1010 4.873,1011 4.595,1012 5.001,1013 3.437,1014 6.925,1015 4.422,1016 6.25,1017 1.414,1018 7.648,1019 4.285,1020 4.443,1021 4.956,1022 3.947,1023 8.131,1024 4.134,1025 7.591,1026 1.127,1027 9.382,1028 3.174,1029 6.319,1030 7.17,1031 5.481,1032 11.206,1033 5.974,1034 8.966,1035 1,1036 11.18,1037 2.72,1038 6.957,1039 7.921,1040 6.699,1041 13.186,1042 6.475,1043 10.375,1044 0.827,1045 13.018,1046 2.239,1047 8.373,1048 9.661,1049 8.066,1050 15.85,1051 7.841,1052 11.806,1053 0.726,1054 14.882,1055 2.136,1056 9.336,1057 10.765,1058 9.39,1059 18.126,1060 8.684,1061 13.254,1062 0.26,1063 16.765,1064 2.011,1065 10.598,1066 12.322,1067 10.736,1068 20.664,1069 9.88,1070 3.396,1071 -0.021,1072 18.663,1073 0.451,1074 11.697,1075 13.593,1076 12.075,1077 23.06,1078 10.874,1079 3.271,1080 12.293,1081 20.572,1082 -0.047,1083 12.909,1084 15.074,1085 13.417,1086 25.56,1087 12.01,1088 2.802,1089 11.439,1090 22.49,1091 4.206,1092 14.066,1093 16.424,1094 14.758,1095 28.008,1096 13.071,1097 2.652,1098 9.148,1099 24.415,1100 4.111,1101 15.265,1102 17.873,1103 16.1,1104 30.497,1105 14.189,1106 2.365,1107 8.562,1108 26.348,1109 3.308,1110 16.447,1111 19.261,1112 17.441,1113 32.969,1114 15.28,1115 2.093,1116 7.812,1117 28.285,1118 3.14,1119 17.646,1120 20.697,1121 18.783,1122 35.457,1123 16.395,1124 1.717,1125 6.312,1126 30.228,1127 2.776,1128 18.84,1129 22.104,1130 20.124,1131 37.939,1132 17.5,1133 10216,1134 20041,1135 21.383,1136 32.699,1137 51.404,1138 51.156,1139 52.616,1140 50.622,1141 50.454,1142 61.185,1143 18.17,1144 154.907,1145 45.992,1146 5.603,1147 6.472,1148 7.067,1149 5.439,1150 5.396,1151 7.206,1152 5.335,1153 20.015,1154 5.112,1155 17.276,1156 1.558,1157 1.55,1158 1.594,1159 1.534,1160 1.529,1161 1.854,1162 0.551,1163 4.694,1164 1.394,1165 4.034,1166 4.064,1167 4.275,1168 3.952,1169 8.513,1170 3.942,1171 3.916,1172 3.941,1173 3.931,1174 3.856,1175 7.999,1176 3.826,1177 3.73,1178 3.782,1179 3.637,1180 3.507,1181 7.999,1182 3.528,1183 3.434,1184 3.465,1185 3.512,1186 3.288,1187 7.431,1188 3.271,1189 3.355,1190 3.4,1191 3.355,1192 3.091,1193 6.457,1194 3.129,1195 3.178,1196 3.259,1197 3.059,1198 3.035,1199 4.846,1200 3.015,1201 3.111,1202 3.206,1203 2.981,1204 2.941,1205 4.672,1206 2.91,1207 3.092,1208 3.151,1209 2.907,1210 2.778,1211 4.593,1212 2.83,1213 0.139,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.603,1219 0.127,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.292,1225 0.094,1226 3.396,1227 4.206,1228 3.825,1229 12.293,1230 3.112,1231 1.955,1232 1.931,1233 2.055,1234 2.052,1235 1.247,1236 2.051,1237 1.708,1238 1.673,1239 1.911,1240 1.952,1241 1.199,1242 1.944,1243 1.693,1244 1.647,1245 1.755,1246 1.889,1247 0.921,1248 1.856,1249 1.237,1250 1.231,1251 1.553,1252 1.494,1253 0.825,1254 1.47,1255 1.21,1256 1.152,1257 1.513,1258 1.436,1259 0.633,1260 1.458,1261 1.198,1262 1.133,1263 1.442,1264 1.418,1265 0.599,1266 1.429,1267 1.153,1268 1.064,1269 1.301,1270 1.376,1271 0.548,1272 1.402,1273 1.101,1274 1.063,1275 1.146,1276 1.348,1277 0.327,1278 1.316,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.727,1285 8.787,1286 6.88,1287 10.488,1289 1.407,1291 39.904,1294 9.735,1295 1.81,1297 5.341,1300 3.506,1301 -4.471,1305 32.308,1306 96.19,1307 193.498,1308 234.856,1309 239.611,1310 241.611,1311 241.611,1312 75.971,1313 7.873,1314 80.48,1315 108.72,1316 23,1317 12.868,1318 3.807,1319 3.087,1320 46.722,1321 108,1322 117,1323 0.209,1324 196.851,1325 354.63,1326 472.076,1327 27546,1328 6.1,1329 21.466,1330 0.716,1331 0.563,1332 19.319,1333 16.886,1334 14.291,1335 0.433,1336 0.306,1337 9.125,1338 12.989,1339 8.912,1340 7.238,1341 13.488,1342 10.104,1343 13.761,1344 0.281,1345 0.161,1346 12.381,1347 7.891,1348 11.257,1349 0.171,1350 0.094,1351 11.442,1352 6.186,1353 9.653,1354 0.108,1355 0.05,1356 9.59,1357 4.489,1358 7.722,1359 0.068,1360 0.027,1361 8.04,1362 3.056,1363 0.319,1364 96.292,1365 0.216,1366 27.72,1367 0.6,1368 164,1369 719.395,1370 223.721,1371 618.916,1372 809.03,1373 576,1374 197,1375 545.503,1376 251.112,1377 544.34,1378 831.8,1379 510,1380 6.201}
{0 CHEMBL2089113,1 1.934,2 10.133,3 3.597,4 12.936,5 110.351,6 8.79,7 0.333,8 4.05,9 4.161,10 3.776,11 3.55,12 5.209,13 3.554,14 4.641,15 4.808,16 4.265,17 3.949,18 6.202,19 3.946,20 4.794,21 4.976,22 4.319,23 4.102,24 5.966,25 4.072,26 4.924,27 5.115,28 4.324,29 4.17,30 6.199,31 4.116,32 4.998,33 5.229,34 4.227,35 4.105,36 6.261,37 4.046,38 4.812,39 5.005,40 4.176,41 4.038,42 6.069,43 4.005,44 4.8,45 4.973,46 4.179,47 4.065,48 6.04,49 4.019,50 4.898,51 5.11,52 4.153,53 3.958,54 6.314,55 3.907,56 0.222,57 0.999,58 8.183,59 4.674,60 33.151,61 5.056,62 1.129,63 1.897,64 21.587,65 7.702,66 157.206,67 8.756,68 0.723,69 1.8,70 25.319,71 9.44,72 58.658,73 11.272,74 0.879,75 2.102,76 31.434,77 11.715,78 87.071,79 12.908,80 1.347,81 2.018,82 42.77,83 12.41,84 168.442,85 13.565,86 1.081,87 1.71,88 28.434,89 9.123,90 118.209,91 10.181,92 0.751,93 1.728,94 25.214,95 9.48,96 81.098,97 10.49,98 1.223,99 1.837,100 33.55,101 10.495,102 147.828,103 12.374,104 41,105 49,106 0.327,107 0.664,108 0.797,109 0.827,110 0.834,111 0.834,112 3.441,113 0.927,114 -4.92,115 -4.83,116 -4.53,119 38,120 1,125 6,132 1,142 3,143 3,147 1,152 1,158 2,162 1,163 1,164 1,165 1,172 7,174 4,175 3,183 8,186 1,187 5,189 2,190 2,195 5,198 4,199 5,207 1,211 3,212 6,214 2,215 2,217 1,220 1,222 1,224 8,229 3,232 2,234 3,236 1,237 6,239 1,240 1,242 3,245 3,247 3,249 2,250 6,255 1,258 1,260 1,263 3,275 1500,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 18.256,282 29.487,283 11.355,284 20.711,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.584,291 41.61,292 5.294,293 17.768,294 3.71,295 1.712,296 0.925,297 0.75,298 0.71,299 0.71,300 4.131,304 1,305 1,306 650,307 3.606,310 61.6,311 262.046,314 117.696,318 1.551,319 55.703,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 69,331 304,332 4.603,333 4.472,334 7.265,335 4.292,336 3.396,337 4.206,338 3.825,339 12.293,340 3.113,341 4.554,342 3.752,343 6.855,344 4.183,345 3.271,346 4.111,347 1.564,348 11.439,349 2.987,350 4.009,351 3.249,352 6.176,353 3.696,354 2.802,355 3.308,356 0.994,357 9.148,358 2.488,359 3.896,360 3.126,361 6.043,362 3.583,363 2.652,364 3.14,365 0.86,366 8.562,367 2.421,368 3.609,369 2.963,370 5.843,371 3.304,372 2.365,373 2.776,374 0.8,375 7.812,376 2.204,377 3.429,378 2.599,379 5.271,380 3.04,381 2.093,382 2.581,383 0.701,384 6.312,385 1.964,386 2.935,387 2.254,388 4.777,389 2.604,390 1.717,391 2.066,392 0.167,393 4.873,394 1.507,395 2.864,396 2.026,397 4.424,398 2.507,399 1.578,400 1.981,402 4.285,403 1.427,404 2.841,405 1.604,406 3.917,407 2.414,408 1.414,409 1.896,411 3.174,412 1.414,413 2.347,414 1.512,415 3.789,416 1.997,417 1.127,418 1.263,420 2.72,421 0.969,422 2.175,423 1.256,424 3.75,425 1.952,426 1,427 1.075,428 2.239,429 0.946,430 2,431 1.237,432 3.471,433 1.738,434 0.827,435 1,436 2.136,437 0.741,438 1.992,439 1.005,440 3.247,441 1.589,442 0.726,443 0.885,445 2.011,446 0.614,447 1.568,448 0.9,449 3.055,450 1.204,451 0.26,452 0.305,454 0.451,455 0.243,456 1.291,457 0.53,458 2.712,459 0.953,460 -0.021,461 -0.026,463 -0.047,464 -0.02,465 13.857,466 0.462,467 0.967,468 0.032,469 34.75,470 1.158,471 14,472 0.467,473 20.75,474 0.692,475 29.8,476 0.993,477 34.143,478 0.683,479 29.584,480 0.986,481 6.956,482 0.232,483 7.335,484 0.244,485 0.151,486 0.036,487 0.346,490 3,493 0.659,494 1.134,495 0.657,496 1.045,497 0.606,498 0.945,499 0.609,500 0.725,501 0.7,502 0.798,503 0.398,504 0.774,505 0.661,506 0.948,507 0.747,508 0.993,509 0.515,510 0.934,511 0.824,512 1.14,513 1.129,514 1.244,515 0.794,516 1.166,517 1.103,518 1.009,519 1.255,520 1.049,521 1.136,522 0.955,523 1.073,524 0.865,525 1.11,526 0.921,527 1.139,528 0.974,529 0.842,530 0.977,531 1.167,532 1.192,533 0.818,534 1.209,535 0.83,536 0.937,537 1.094,538 1.176,539 0.946,540 1.156,541 7,542 0.144,543 4.222,544 2.66,545 2.273,546 1.351,547 0.871,548 0.778,549 0.491,550 0.331,551 10544,552 38476,553 2.04,554 40,555 3,556 15,559 2,564 1.735,565 1.865,566 3.312,567 0.342,569 1,573 96.679,574 1.934,575 3.931,576 4.719,577 4.894,578 4.934,579 4.934,580 2.759,581 4.482,582 4.879,583 3.477,584 1512.46,585 8.546,586 20254,588 1,590 1,591 282.193,592 1.679,593 4.809,594 0.212,595 0.008,596 0.086,597 0.051,598 0.045,599 0.029,600 0.019,601 0.017,602 0.012,603 0.011,604 0.491,605 0.17,606 1,607 0.888,608 151.29,609 -0.071,610 -0.153,611 0.044,612 -0.031,613 -0.086,614 0.002,615 0.269,616 0.277,617 0.183,618 0.185,619 0.364,620 0.157,621 -0.006,622 -0.105,623 0.131,624 -0.001,625 0.031,626 0.051,627 -0.054,628 -0.165,629 -0.124,630 -0.175,631 -0.016,632 -0.176,633 -0.122,634 0.005,635 -0.118,636 0.022,637 -0.116,638 0.049,639 -0.157,640 0.13,641 -0.177,642 0.062,643 -0.183,644 -0.032,645 -0.141,646 -0.118,647 -0.256,648 -0.189,649 -0.102,650 -0.262,651 0.114,652 -0.041,653 -0.069,654 -0.188,655 0.051,656 -0.18,657 5.696,658 5.51,659 0.7,660 26.8,661 1.035,662 1.152,663 3.69,664 13.613,665 0.665,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.883,672 5.063,673 5.22,674 5.318,675 5.398,676 6.186,677 0.652,678 439.51,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.705,685 9.608,686 10.528,687 11.437,688 12.358,689 10,690 1,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,731 50,733 13,734 1,735 33,737 53,738 19,739 9,740 3,741 3,742 2,746 4,747 5,752 3,757 1,761 11,762 8,766 2,771 1,774 1,775 2,778 1,779 3,781 20,782 10,783 2,784 11,785 1,790 5,791 1,794 0.75,795 2,811 1,812 3,815 1,833 1,839 1,840 3,842 1,844 1,846 3,848 30,849 1,854 6,856 1,859 2,860 1,863 1,869 3,870 4,873 1,874 1,877 16.083,878 9.312,879 6.444,880 2.917,881 2.455,882 1.312,883 0.997,884 5.841,885 10.328,886 3.726,887 4.314,888 4.88,889 5.429,890 5.879,891 6.199,892 6.537,893 6.873,894 7.15,895 7.413,896 0.857,897 52,898 11.635,900 5.534,901 8.231,902 20.599,904 17.165,905 2.731,906 81.917,909 1,910 211.88,911 114.675,912 72.717,914 36.145,915 44.88,916 31.278,917 83.397,918 248.025,919 117.597,920 8.825,921 50.505,922 28.429,923 59.963,924 77.972,925 3.686,926 243.158,927 7.76,928 211.88,929 156.114,930 81.025,931 31.278,933 211.88,934 70.025,935 11,937 84.376,938 54.953,939 16.786,940 31.278,941 256.76,942 108.862,943 114.675,946 219.639,947 69.662,948 43.503,950 147.493,951 211.88,952 153.742,953 114.675,955 0.596,956 0.353,957 0.192,958 0.105,959 25,960 12,961 0.075,962 4,963 1,964 1.095,965 3.912,966 283.147,967 0.095,968 21,969 138.452,970 1,974 21.228,975 8.255,976 4.121,978 153.742,979 4.062,980 4.637,983 1.229,984 1.315,986 32.897,987 480.297,988 40.5,993 12.51,996 4.063,997 -0.15,999 51.731,1000 57.586,1001 0.343,1002 0.697,1003 0.836,1004 0.867,1005 0.874,1006 0.874,1007 5.022,1008 1.578,1009 6.023,1010 4.873,1011 4.595,1012 5.001,1013 3.416,1014 6.925,1015 4.425,1016 6.25,1017 1.414,1018 7.648,1019 4.285,1020 4.443,1021 4.956,1022 3.947,1023 8.131,1024 4.134,1025 7.591,1026 1.127,1027 9.382,1028 3.174,1029 6.319,1030 7.17,1031 5.474,1032 11.206,1033 5.976,1034 8.966,1035 1,1036 11.18,1037 2.72,1038 6.957,1039 7.921,1040 6.698,1041 13.186,1042 6.476,1043 10.375,1044 0.827,1045 13.018,1046 2.239,1047 8.373,1048 9.661,1049 8.065,1050 15.85,1051 7.844,1052 11.806,1053 0.726,1054 14.882,1055 2.136,1056 9.336,1057 10.765,1058 9.39,1059 18.126,1060 8.686,1061 13.254,1062 0.26,1063 16.765,1064 2.011,1065 10.598,1066 12.322,1067 10.735,1068 20.664,1069 9.883,1070 3.396,1071 -0.021,1072 18.663,1073 0.451,1074 11.697,1075 13.593,1076 12.074,1077 23.06,1078 10.876,1079 3.271,1080 12.293,1081 20.572,1082 -0.047,1083 12.909,1084 15.074,1085 13.417,1086 25.56,1087 12.013,1088 2.802,1089 11.439,1090 22.49,1091 4.206,1092 14.066,1093 16.424,1094 14.758,1095 28.008,1096 13.073,1097 2.652,1098 9.148,1099 24.415,1100 4.111,1101 15.265,1102 17.873,1103 16.1,1104 30.497,1105 14.191,1106 2.365,1107 8.562,1108 26.348,1109 3.308,1110 16.447,1111 19.261,1112 17.441,1113 32.969,1114 15.282,1115 2.093,1116 7.812,1117 28.285,1118 3.14,1119 17.646,1120 20.697,1121 18.783,1122 35.457,1123 16.397,1124 1.717,1125 6.312,1126 30.228,1127 2.776,1128 18.84,1129 22.104,1130 20.124,1131 37.939,1132 17.502,1133 10216,1134 19677,1135 21.383,1136 33.25,1137 51.404,1138 51.071,1139 52.616,1140 50.658,1141 50.454,1142 61.185,1143 17.823,1144 154.907,1145 46.076,1146 5.603,1147 6.472,1148 7.067,1149 5.439,1150 5.396,1151 7.206,1152 5.335,1153 20.015,1154 5.113,1155 17.276,1156 1.558,1157 1.548,1158 1.594,1159 1.535,1160 1.529,1161 1.854,1162 0.54,1163 4.694,1164 1.396,1165 4.035,1166 4.066,1167 4.276,1168 3.953,1169 8.513,1170 3.942,1171 3.916,1172 3.942,1173 3.931,1174 3.857,1175 7.999,1176 3.827,1177 3.732,1178 3.788,1179 3.639,1180 3.509,1181 7.999,1182 3.53,1183 3.46,1184 3.521,1185 3.517,1186 3.313,1187 7.431,1188 3.292,1189 3.36,1190 3.409,1191 3.357,1192 3.1,1193 5.037,1194 3.135,1195 3.178,1196 3.259,1197 3.062,1198 3.035,1199 4.825,1200 3.016,1201 3.111,1202 3.206,1203 3.011,1204 2.941,1205 4.672,1206 2.91,1207 3.104,1208 3.167,1209 2.921,1210 2.795,1211 4.589,1212 2.844,1213 0.139,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.603,1219 0.127,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.292,1225 0.094,1226 3.396,1227 4.206,1228 3.825,1229 12.293,1230 3.113,1231 1.955,1232 1.931,1233 2.055,1234 2.053,1235 1.248,1236 2.052,1237 1.709,1238 1.676,1239 1.911,1240 1.952,1241 1.199,1242 1.944,1243 1.702,1244 1.648,1245 1.787,1246 1.9,1247 0.937,1248 1.874,1249 1.282,1250 1.248,1251 1.553,1252 1.553,1253 0.825,1254 1.545,1255 1.23,1256 1.177,1257 1.513,1258 1.468,1259 0.663,1260 1.47,1261 1.209,1262 1.133,1263 1.503,1264 1.418,1265 0.603,1266 1.429,1267 1.153,1268 1.068,1269 1.323,1270 1.376,1271 0.554,1272 1.416,1273 1.105,1274 1.064,1275 1.147,1276 1.35,1277 0.329,1278 1.316,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.727,1285 8.787,1286 6.88,1287 10.488,1289 1.438,1291 39.964,1293 5.797,1295 2.48,1297 5.358,1300 3.662,1301 -4.446,1305 32.615,1306 96.679,1307 196.57,1308 235.928,1309 244.683,1310 246.683,1311 246.683,1312 72.826,1313 7.873,1314 86.27,1315 114.51,1316 23,1317 12.868,1318 3.807,1319 3.087,1320 46.722,1321 108,1322 117,1323 0.209,1324 199.649,1325 356.84,1326 478.904,1327 27546,1328 6,1329 21.466,1330 0.716,1331 0.567,1332 19.319,1333 17.016,1334 14.291,1335 0.433,1336 0.309,1337 9.225,1338 13.027,1339 9.007,1340 7.33,1341 13.488,1342 10.196,1343 13.761,1344 0.281,1345 0.162,1346 12.381,1347 7.937,1348 11.257,1349 0.171,1350 0.094,1351 11.442,1352 6.227,1353 9.653,1354 0.108,1355 0.051,1356 9.59,1357 4.524,1358 7.722,1359 0.068,1360 0.027,1361 8.04,1362 3.082,1363 0.319,1364 95.939,1365 0.216,1366 27.72,1367 0.6,1368 164,1369 696.557,1370 222.975,1371 601.77,1372 791.11,1373 560,1374 197,1375 540.41,1376 250.394,1377 539.36,1378 824.32,1379 506,1380 5.602}
{0 CHEMBL2089114,1 1.86,2 9.333,3 3.608,4 13.02,5 107.525,6 8.846,7 0.367,8 3.961,9 4.059,10 3.711,11 3.515,12 5.067,13 3.491,14 4.523,15 4.683,16 4.142,17 3.917,18 5.623,19 3.877,20 4.708,21 4.882,22 4.275,23 4.068,24 5.791,25 4.001,26 4.79,27 4.975,28 4.186,29 4.117,30 5.882,31 4.002,32 4.806,33 5.021,34 4.106,35 4.024,36 5.951,37 3.92,38 4.613,39 4.771,40 4.14,41 3.975,42 5.77,43 3.928,44 4.709,45 4.873,46 4.166,47 4.002,48 5.93,49 3.928,50 4.73,51 4.927,52 4.016,53 3.87,54 5.945,55 3.739,56 0.11,57 0.704,58 7.747,59 4.262,60 11.135,61 4.824,62 0.475,63 1.17,64 19.278,65 7.079,66 33.382,67 8.255,68 0.554,69 1.362,70 25.722,71 8.871,72 33.86,73 10.721,74 0.547,75 1.455,76 33.258,77 11.012,78 46.484,79 12.768,80 0.829,81 1.397,82 39.386,83 11.23,84 81.055,85 13.105,86 0.386,87 1.238,88 21.832,89 8.272,90 32.838,91 9.276,92 0.625,93 1.285,94 24.884,95 8.634,96 55.536,97 9.591,98 0.809,99 1.118,100 37.799,101 10.744,102 88.539,103 11.734,104 18,105 43,106 0.32,107 0.672,108 0.824,109 0.842,110 0.842,111 0.842,112 3.341,113 0.985,114 -4.58,115 -4.5,116 -4.24,119 39.1,120 1,125 6,142 3,143 2,144 1,147 1,152 1,158 2,162 1,172 5,174 4,175 3,183 7,186 1,187 5,190 2,195 7,198 4,199 4,207 2,211 3,212 7,215 2,217 1,220 1,224 6,229 3,232 2,236 1,237 8,240 1,242 2,245 2,249 2,250 4,255 2,258 2,263 5,275 1110,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.693,282 26.77,283 10.665,284 19.11,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 12.037,291 38.194,292 4.972,293 16.055,294 3.664,295 1.611,296 0.728,297 0.625,298 0.625,299 0.625,300 4.036,301 1,304 1,305 1,306 545,307 2.646,310 53.354,311 228.555,314 102.358,318 1.457,319 32.303,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.333,331 252,332 4.583,333 3.755,334 6.857,335 4.199,336 3.279,337 4.203,338 1.614,339 11.449,340 3.023,341 4.314,342 3.324,343 6.347,344 3.906,345 2.949,346 3.977,347 1.006,348 9.493,349 2.816,350 3.982,351 3.164,352 6.138,353 3.657,354 2.762,355 3.297,356 0.86,357 8.998,358 2.458,359 3.629,360 3.12,361 5.867,362 3.339,363 2.398,364 2.8,365 0.8,366 7.909,367 2.245,368 3.452,369 2.627,370 5.274,371 3.049,372 2.11,373 2.631,374 0.759,375 6.333,376 1.965,377 3.246,378 2.462,379 5.013,380 2.831,381 1.909,382 2.461,383 0.22,384 5.577,385 1.693,386 2.87,387 2.234,388 4.425,389 2.569,390 1.697,391 2.029,393 4.297,394 1.463,395 2.864,396 1.722,397 3.912,398 2.414,399 1.414,400 1.905,402 3.186,403 1.414,404 2.349,405 1.526,406 3.789,407 2.001,408 1.137,409 1.266,411 2.728,412 0.968,413 2.178,414 1.257,415 3.749,416 1.952,417 1,418 1.076,420 2.246,421 0.946,422 2.008,423 1.256,424 3.471,425 1.735,426 0.832,427 1,428 2.136,429 0.736,430 2,431 1.209,432 3.247,433 1.606,434 0.754,435 0.912,436 2.066,437 0.624,438 1.569,439 1.092,440 2.893,441 1.206,442 0.322,443 0.361,445 0.599,446 0.267,447 1.402,448 0.702,449 2.681,450 0.987,451 0.076,452 0.096,454 0.146,455 0.063,456 1.021,457 0.19,458 2.416,459 0.581,460 -0.336,461 -0.435,463 -0.813,464 -0.279,465 13.148,466 0.487,467 0.678,468 0.025,469 32.75,470 1.213,471 14,472 0.519,473 18.75,474 0.694,475 25.842,476 0.957,477 29.452,478 0.64,479 23.65,480 0.876,481 6.39,482 0.237,483 6.69,484 0.248,485 0.143,487 0.365,493 0.817,494 1.439,495 0.621,496 0.965,497 0.702,498 0.902,499 0.992,500 0.976,501 0.704,502 0.752,503 0.704,504 0.744,505 0.831,506 1.162,507 0.827,508 0.923,509 0.646,510 0.903,511 0.813,512 1.16,513 1.269,514 1.248,515 0.817,516 1.171,517 0.81,518 0.924,519 1.142,520 1.092,521 0.887,522 0.924,523 1.054,524 1.229,525 0.851,526 1.042,527 1.154,528 0.964,529 1.198,530 1.068,531 1.068,532 1.056,533 1.429,534 1.118,535 1.258,536 1.005,537 1.205,538 1.17,539 1.591,540 1.159,541 5,542 0.078,543 3.556,544 1.91,545 1.975,546 1.108,547 0.79,548 0.559,549 0.31,550 0.13,551 8087,552 25771,553 2.097,554 41.3,555 3,556 15,559 1,564 1.708,565 1.952,566 3.212,567 -0.236,569 1,573 85.56,574 1.86,575 3.912,576 4.795,577 4.898,578 4.898,579 4.898,580 2.672,581 4.533,582 4.726,583 3.347,584 1174.96,585 8.243,586 14589.2,588 1,590 1,591 254.084,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.042,598 0.047,599 0.028,600 0.018,601 0.014,602 0.011,603 0.007,604 0.423,605 0.17,606 1,607 0.76,608 131.098,609 -0.085,610 -0.276,611 0.037,612 -0.039,613 -0.071,614 -0.011,615 -0.05,616 0.141,617 0.1,618 0.18,619 -0.005,620 0.155,621 0.023,622 -0.08,623 0.079,624 0.038,625 0.033,626 0.034,627 -0.021,628 -0.08,629 -0.189,630 -0.186,631 -0.021,632 -0.194,633 0.121,634 0.1,635 -0.055,636 -0.009,637 0.11,638 0.077,639 -0.149,640 -0.132,641 -0.036,642 -0.081,643 -0.099,644 -0.046,645 -0.138,646 0.022,647 -0.155,648 -0.112,649 -0.144,650 -0.224,651 -0.024,652 -0.098,653 -0.064,654 -0.12,655 -0.05,656 -0.163,657 2.023,658 5.451,659 0.778,660 23.012,661 1.019,662 1.126,663 3.35,664 11.223,665 0.695,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.812,672 4.963,673 5.118,674 5.209,675 5.236,676 5.707,677 0.662,678 406.93,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.471,686 10.381,687 11.292,688 12.206,689 8.7,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 1,731 46,733 13,734 1,735 30,737 49,738 18,739 9,740 3,741 3,742 2,746 4,747 5,748 1,752 2,761 11,762 7,766 2,771 1,774 1,775 2,778 1,781 19,782 7,783 1,784 9,785 2,790 4,791 1,794 0.75,795 3,796 1,811 1,812 3,815 1,838 1,839 1,840 3,842 1,844 1,845 1,848 27,853 1,854 6,856 1,859 2,863 1,869 1,870 6.5,871 1,873 1,874 1,877 13.833,878 8.643,879 5.944,880 2.716,881 2.399,882 1.314,883 0.969,884 5.46,885 10.041,886 3.651,887 4.23,888 4.809,889 5.347,890 5.801,891 6.12,892 6.423,893 6.789,894 7.075,895 7.268,896 1,897 46,898 10.025,900 4.34,901 7.825,902 19.046,904 15.831,905 2.325,906 62.778,909 1,910 211.88,911 105.125,912 39.82,913 39.149,914 78.828,916 31.278,917 73.847,918 329.857,919 39.82,920 8.825,921 15.502,922 71.112,923 59.963,924 33.407,925 3.686,926 243.158,927 39.149,928 211.88,929 113.667,930 78.828,931 70.426,933 211.88,934 25.145,935 53.683,937 41.613,938 55.268,939 55.934,940 31.278,941 211.88,942 118.648,943 144.274,946 211.88,947 67.871,948 43.503,950 151.548,951 211.88,952 118.648,953 144.274,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.082,962 4,963 1,964 1.095,965 3.759,966 243.897,967 0.095,968 21,969 124.382,970 1,974 18.813,975 7.836,976 3.613,978 118.648,979 5.699,980 4.722,983 1.337,984 4.441,986 42.683,987 474.801,988 37.5,993 12.451,996 4.078,997 -0.059,999 46.858,1000 51.807,1001 0.337,1002 0.708,1003 0.868,1004 0.887,1005 0.887,1006 0.887,1007 4.918,1008 1.414,1009 5.866,1010 4.297,1011 4.466,1012 4.916,1013 2.42,1014 6.723,1015 4.301,1016 6.121,1017 1.137,1018 7.456,1019 3.186,1020 4.111,1021 4.771,1022 1.175,1023 7.7,1024 3.87,1025 7.439,1026 1,1027 9.148,1028 2.728,1029 6.103,1030 7.073,1031 2.712,1032 10.837,1033 5.792,1034 8.793,1035 0.832,1036 10.897,1037 2.246,1038 6.581,1039 7.765,1040 2.12,1041 12.63,1042 6.188,1043 10.181,1044 0.754,1045 12.684,1046 2.136,1047 8.043,1048 9.545,1049 3.309,1050 15.288,1051 7.588,1052 11.592,1053 0.322,1054 14.494,1055 2.066,1056 8.891,1057 10.614,1058 3.128,1059 17.419,1060 8.354,1061 13.021,1062 0.076,1063 16.323,1064 0.599,1065 10.155,1066 12.188,1067 4.081,1068 19.915,1069 9.554,1070 3.279,1071 -0.336,1072 18.164,1073 0.146,1074 11.172,1075 13.437,1076 4.147,1077 22.201,1078 10.489,1079 2.949,1080 11.449,1081 20.015,1082 -0.813,1083 12.363,1084 14.924,1085 4.939,1086 24.641,1087 11.612,1088 2.762,1089 9.493,1090 21.874,1091 4.203,1092 13.458,1093 16.258,1094 5.153,1095 26.999,1096 12.626,1097 2.398,1098 8.998,1099 23.74,1100 3.977,1101 14.624,1102 17.707,1103 5.839,1104 29.424,1105 13.721,1106 2.11,1107 7.909,1108 25.611,1109 3.297,1110 15.756,1111 19.084,1112 6.146,1113 31.818,1114 14.772,1115 1.909,1116 6.333,1117 27.488,1118 2.8,1119 16.917,1120 20.516,1121 6.763,1122 34.241,1123 15.859,1124 1.697,1125 5.577,1126 29.369,1127 2.631,1128 18.067,1129 21.914,1130 7.127,1131 36.654,1132 16.928,1133 7756,1134 13975,1135 19.997,1136 31.983,1137 45.891,1138 47.435,1139 47.432,1140 45.33,1141 45.278,1142 56.03,1143 10.519,1144 134.324,1145 41.363,1146 5.583,1147 5.755,1148 6.659,1149 5.346,1150 5.279,1151 7.203,1152 2.936,1153 18.965,1154 5.023,1155 13.103,1156 1.53,1157 1.581,1158 1.581,1159 1.511,1160 1.509,1161 1.868,1162 0.351,1163 4.477,1164 1.379,1165 4.023,1166 4.053,1167 4.276,1168 3.947,1169 7.431,1170 3.929,1171 3.894,1172 3.918,1173 4.018,1174 3.85,1175 6.457,1176 3.817,1177 3.728,1178 3.778,1179 3.641,1180 3.506,1181 4.933,1182 3.527,1183 3.429,1184 3.46,1185 3.52,1186 3.284,1187 4.826,1188 3.265,1189 3.189,1190 3.26,1191 3.345,1192 3.039,1193 4.596,1194 3.028,1195 3.16,1196 3.23,1197 3.046,1198 2.999,1199 4.371,1200 2.983,1201 3.111,1202 3.206,1203 2.98,1204 2.941,1205 4.301,1206 2.91,1207 3.06,1208 3.084,1209 2.879,1210 2.755,1211 3.898,1212 2.803,1213 0.153,1214 0.125,1215 0.229,1216 0.14,1217 0.109,1218 4.583,1219 0.14,1220 3.755,1221 0.054,1222 6.857,1223 0.382,1224 4.199,1225 0.101,1226 3.279,1227 4.203,1228 1.614,1229 11.449,1230 3.023,1231 1.937,1232 1.914,1233 2.033,1234 2.028,1235 1.225,1236 2.033,1237 1.708,1238 1.67,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.689,1244 1.646,1245 1.75,1246 1.873,1247 0.91,1248 1.847,1249 1.226,1250 1.223,1251 1.553,1252 1.456,1253 0.825,1254 1.47,1255 1.209,1256 1.136,1257 1.513,1258 1.418,1259 0.626,1260 1.443,1261 1.17,1262 1.11,1263 1.431,1264 1.376,1265 0.593,1266 1.429,1267 1.153,1268 1.064,1269 1.292,1270 1.375,1271 0.542,1272 1.376,1273 1.06,1274 1.014,1275 1.145,1276 1.281,1277 0.324,1278 1.278,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.727,1285 8.636,1286 6.88,1287 10.325,1289 1.948,1290 6.247,1294 9.76,1295 2.848,1297 5.393,1300 3.914,1305 30.459,1306 85.56,1307 179.971,1308 220.574,1309 225.329,1310 225.329,1311 225.329,1312 47.395,1313 7.643,1314 80.48,1315 108.72,1316 23,1317 12.72,1318 3.807,1319 3.087,1320 39.883,1321 90,1322 96,1323 0.216,1324 191.997,1325 334.33,1326 460.233,1327 20547,1328 2.2,1329 18.966,1330 0.702,1331 0.607,1332 19.819,1333 16.386,1334 13.08,1335 0.436,1336 0.328,1337 8.603,1338 11.782,1339 8.305,1340 6.778,1341 13.777,1342 9.854,1343 11.766,1344 0.274,1345 0.18,1346 12.752,1347 7.735,1348 10.552,1349 0.176,1350 0.104,1351 11.849,1352 6.224,1353 8.67,1354 0.108,1355 0.054,1356 9.828,1357 4.345,1358 7.154,1359 0.068,1360 0.028,1361 8.186,1362 2.992,1363 0.328,1364 89.95,1365 0.224,1366 25.358,1367 0.63,1368 146,1369 469.265,1370 204.223,1371 492.572,1372 660.41,1373 462,1374 176,1375 438.365,1376 231.346,1377 466.225,1378 696.89,1379 438,1380 6.301}
{0 CHEMBL2089115,1 1.898,2 9.308,3 3.182,4 10.127,5 101.173,6 9.137,7 0.379,8 3.902,9 4,10 3.682,11 3.464,12 5.016,13 3.444,14 4.468,15 4.623,16 4.128,17 3.876,18 5.602,19 3.838,20 4.665,21 4.826,22 4.244,23 4.018,24 5.785,25 3.958,26 4.731,27 4.91,28 4.143,29 4.035,30 5.991,31 3.918,32 4.654,33 4.871,34 4.018,35 3.889,36 5.708,37 3.791,38 4.459,39 4.611,40 4.018,41 3.805,42 5.692,43 3.787,44 4.594,45 4.749,46 4.096,47 3.849,48 5.921,49 3.798,50 4.564,51 4.763,52 3.851,53 3.691,54 5.784,55 3.564,56 0.113,57 0.671,58 6.506,59 3.864,60 8.733,61 4.269,62 0.516,63 1.115,64 17.151,65 6.629,66 28.316,67 7.618,68 0.526,69 1.279,70 23.534,71 8.682,72 39.018,73 9.789,74 0.724,75 1.347,76 33.109,77 10.594,78 84.123,79 11.664,80 0.618,81 1.229,82 35.876,83 10.015,84 40.097,85 11.475,86 0.412,87 1.048,88 15.131,89 6.28,90 33.416,91 6.955,92 0.711,93 1.114,94 21.505,95 7.34,96 77.158,97 7.36,98 0.739,99 0.951,100 32.251,101 9.185,102 82.922,103 9.56,104 17,105 42,106 0.331,107 0.679,108 0.817,109 0.837,110 0.837,111 0.837,112 3.305,113 0.977,114 -4.21,115 -4.15,116 -3.92,119 39.5,120 1,125 5,142 3,143 2,144 1,147 1,152 1,158 1,159 1,162 1,172 5,174 3,175 3,178 3,183 7,186 1,187 4,192 1,195 7,198 5,199 4,202 1,204 1,207 2,211 2,212 8,215 1,217 2,220 1,223 1,224 6,229 2,232 2,236 1,237 8,242 2,245 2,249 1,250 4,253 1,258 2,262 1,263 5,275 972,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.876,282 25.658,283 10.14,284 18.202,285 14.289,286 14.289,287 14.289,288 14.289,289 14.289,290 11.711,291 37.094,292 4.813,293 15.505,294 3.529,295 1.526,296 0.733,297 0.622,298 0.622,299 0.622,300 3.999,301 1,304 1,305 1,306 526,307 2.449,310 50.243,311 218.771,314 97.203,318 1.485,319 32.662,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.333,331 242,332 4.562,333 3.857,334 6.841,335 4.196,336 3.271,337 4.177,338 1.718,339 11.366,340 3.031,341 4.315,342 3.406,343 6.346,344 3.906,345 2.949,346 3.977,347 1.008,348 9.484,349 2.817,350 3.931,351 3.271,352 6.12,353 3.652,354 2.75,355 3.173,356 0.86,357 8.929,358 2.46,359 3.638,360 3.138,361 5.828,362 3.325,363 2.371,364 2.828,365 0.8,366 7.736,367 2.247,368 3.37,369 2.754,370 5.185,371 3.028,372 2.076,373 2.533,374 0.692,375 6.077,376 1.957,377 3.25,378 2.466,379 5.009,380 2.826,381 1.901,382 2.457,383 0.076,384 5.561,385 1.689,386 2.867,387 2.248,388 4.404,389 2.558,390 1.677,391 2.029,393 4.233,394 1.456,395 2.852,396 1.759,397 3.895,398 2.414,399 1.414,400 1.889,402 3.185,403 1.414,404 2.354,405 1.526,406 3.758,407 1.952,408 1.085,409 1.241,411 2.653,412 0.946,413 2.167,414 1.256,415 3.631,416 1.952,417 1,418 1.069,420 2.236,421 0.924,422 2,423 1.253,424 3.456,425 1.663,426 0.764,427 1,428 2.136,429 0.654,430 1.984,431 1.093,432 3.247,433 1.605,434 0.696,435 0.841,436 1.835,437 0.621,438 1.389,439 0.855,440 2.842,441 1.078,442 0.168,443 0.195,445 0.392,446 0.135,447 1.005,448 0.669,449 2.594,450 0.582,451 -0.334,452 -0.42,454 -0.807,455 -0.275,456 1,457 0.084,458 2.403,459 0.516,460 -0.536,461 -0.693,463 -1.281,464 -0.539,465 12.648,466 0.486,467 0.716,468 0.028,469 32.25,470 1.24,471 14,472 0.538,473 18.25,474 0.702,475 23.69,476 0.911,477 28.152,478 0.655,479 23.129,480 0.89,481 6.269,482 0.241,483 6.273,484 0.241,485 0.149,487 0.38,493 0.74,494 1.44,495 0.598,496 0.95,497 0.53,498 0.88,499 0.812,500 0.905,501 0.677,502 0.741,503 0.551,504 0.743,505 0.998,506 1.235,507 0.849,508 0.992,509 0.911,510 0.957,511 0.831,512 1.099,513 1.36,514 1.267,515 0.854,516 1.172,517 0.694,518 1.011,519 1.158,520 1.222,521 0.678,522 0.942,523 1.137,524 1.137,525 0.698,526 0.809,527 1.219,528 0.864,529 1.403,530 1.005,531 1.046,532 0.986,533 1.74,534 1.071,535 1.363,536 0.95,537 1.159,538 1.083,539 1.775,540 1.082,541 5,542 0.066,543 3.556,544 1.91,545 1.855,546 1.046,547 0.693,548 0.512,549 0.29,550 0.12,551 7476,552 24383,553 2.101,554 39.5,555 3,556 13,559 1,564 1.696,565 1.95,566 3.216,567 -0.218,568 1,569 1,573 81.601,574 1.898,575 3.9,576 4.693,577 4.804,578 4.804,579 4.804,580 2.676,581 4.133,582 4.672,583 3.347,584 1087.71,585 8.124,586 13136.4,588 1,590 1,591 233.329,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.043,598 0.048,599 0.029,600 0.018,601 0.015,602 0.012,603 0.008,604 0.435,605 0.5,606 1,607 0.596,608 124.886,609 -0.074,610 -0.276,611 0.039,612 -0.051,613 -0.029,614 -0.016,615 0.08,616 0.212,617 0.112,618 0.182,619 0.058,620 0.148,621 -0.086,622 -0.198,623 0.05,624 -0.025,625 -0.063,626 -0.018,627 0.062,628 -0.04,629 -0.216,630 -0.166,631 0.129,632 -0.189,633 0.107,634 0.02,635 -0.021,636 -0.101,637 0.045,638 0.094,639 -0.164,640 -0.062,641 -0.004,642 0.022,643 -0.092,644 -0.001,645 -0.19,646 0.05,647 -0.138,648 -0.073,649 -0.176,650 -0.206,651 -0.11,652 -0.049,653 -0.043,654 -0.013,655 -0.17,656 -0.074,657 2.138,658 5.446,659 0.808,660 21.538,661 1.023,662 1.125,663 2.98,664 8.879,665 0.703,666 3.401,667 3.761,668 4.078,669 4.357,670 4.615,671 4.754,672 4.883,673 5.043,674 5.136,675 5.147,676 5.658,677 0.673,678 392.9,679 3.401,680 4.963,681 5.838,682 6.735,683 7.629,684 8.534,685 9.437,686 10.346,687 11.254,688 12.166,689 9.3,695 1,696 2,699 1,704 3,705 1,708 1,709 6,711 11,726 1,730 1,731 43,733 13,734 1,735 29,737 46,738 17,739 9,740 3,741 3,742 1,746 4,747 5,748 1,751 1,752 1,761 11,762 6,766 2,771 2,775 2,778 1,781 17,782 7,783 1,784 9,785 2,790 4,792 1,794 0.75,795 3,811 1,812 3,815 1,839 1,840 3,842 1,844 1,845 1,848 26,854 5,855 1,856 1,859 2,863 1,869 1,870 7,873 2,874 1,877 13.333,878 8.16,879 5.611,880 2.558,881 2.076,882 1.274,883 1,884 4.969,885 9.656,886 3.624,887 4.201,888 4.75,889 5.288,890 5.709,891 6.002,892 6.232,893 6.547,894 6.832,895 6.992,896 1,897 44,898 9.668,900 4.239,901 7.876,902 18.254,904 15.243,905 2.376,906 61.778,909 1,910 188.338,911 107.073,912 41.045,913 39.149,914 61.29,916 31.278,917 75.795,918 288.776,919 41.045,920 8.825,921 36.637,922 28.429,923 82.78,924 13.497,925 7.962,926 219.615,927 39.149,928 188.338,929 116.84,930 61.29,931 70.426,933 188.338,934 50.29,935 11,937 45.963,938 54.092,939 55.934,940 31.278,941 188.338,942 102.335,943 146.221,946 188.338,947 69.819,948 43.503,949 18.011,950 117.224,951 188.338,952 102.335,953 146.221,955 0.592,956 0.357,957 0.19,958 0.105,959 22,960 10,961 0.065,962 3,963 1,964 1.095,965 3.701,966 231.105,967 0.095,968 21,969 118.211,970 1,974 17.86,975 7.234,976 3.399,978 102.335,979 5.573,980 4.605,983 1.301,984 4.049,986 18.011,987 436.894,988 36.5,993 24.704,997 -0.873,999 43.974,1000 48.392,1001 0.35,1002 0.719,1003 0.865,1004 0.885,1005 0.885,1006 0.885,1007 4.896,1008 1.414,1009 5.844,1010 4.233,1011 4.443,1012 4.887,1013 2.429,1014 6.698,1015 4.289,1016 6.098,1017 1.085,1018 7.434,1019 3.185,1020 4.111,1021 4.771,1022 1.404,1023 7.667,1024 3.89,1025 7.416,1026 1,1027 9.126,1028 2.653,1029 6.08,1030 7.028,1031 2.823,1032 10.804,1033 5.788,1034 8.766,1035 0.764,1036 10.875,1037 2.236,1038 6.567,1039 7.739,1040 2.512,1041 12.586,1042 6.201,1043 10.151,1044 0.696,1045 12.66,1046 2.136,1047 8.021,1048 9.494,1049 3.562,1050 15.245,1051 7.592,1052 11.558,1053 0.168,1054 14.47,1055 1.835,1056 8.872,1057 10.574,1058 3.655,1059 17.367,1060 8.367,1061 12.984,1062 -0.334,1063 16.296,1064 0.392,1065 10.132,1066 12.135,1067 4.485,1068 19.861,1069 9.565,1070 3.271,1071 -0.536,1072 18.136,1073 -0.807,1074 11.15,1075 13.388,1076 4.788,1077 22.137,1078 10.507,1079 2.949,1080 11.366,1081 19.986,1082 -1.281,1083 12.338,1084 14.868,1085 5.492,1086 24.573,1087 11.629,1088 2.75,1089 9.484,1090 21.844,1091 4.177,1092 13.432,1093 16.202,1094 5.904,1095 26.923,1096 12.648,1097 2.371,1098 8.929,1099 23.708,1100 3.977,1101 14.597,1102 17.646,1103 6.537,1104 29.342,1105 13.744,1106 2.076,1107 7.736,1108 25.578,1109 3.173,1110 15.726,1111 19.02,1112 7.006,1113 31.728,1114 14.799,1115 1.901,1116 6.077,1117 27.453,1118 2.828,1119 16.886,1120 20.448,1121 7.6,1122 34.144,1123 15.888,1124 1.677,1125 5.561,1126 29.332,1127 2.533,1128 18.034,1129 21.842,1130 8.1,1131 36.549,1132 16.961,1133 7136,1134 13028,1135 19.304,1136 30.222,1137 44.632,1138 46.897,1139 45.926,1140 44.281,1141 44.244,1142 54.815,1143 10.307,1144 131.642,1145 40.705,1146 5.562,1147 5.857,1148 6.643,1149 5.341,1150 5.271,1151 7.177,1152 3.027,1153 18.864,1154 5.031,1155 12.672,1156 1.539,1157 1.617,1158 1.584,1159 1.527,1160 1.526,1161 1.89,1162 0.355,1163 4.539,1164 1.404,1165 4.017,1166 4.045,1167 4.273,1168 3.94,1169 7.447,1170 3.923,1171 3.893,1172 3.917,1173 4.018,1174 3.847,1175 7.411,1176 3.812,1177 3.72,1178 3.768,1179 3.628,1180 3.495,1181 4.929,1182 3.514,1183 3.348,1184 3.373,1185 3.502,1186 3.176,1187 4.798,1188 3.168,1189 3.202,1190 3.261,1191 3.332,1192 3.027,1193 4.58,1194 3.013,1195 3.166,1196 3.245,1197 3.07,1198 2.967,1199 4.336,1200 2.98,1201 3.111,1202 3.206,1203 2.949,1204 2.941,1205 3.946,1206 2.91,1207 2.895,1208 2.896,1209 2.866,1210 2.664,1211 3.862,1212 2.699,1213 0.157,1214 0.133,1215 0.236,1216 0.145,1217 0.113,1218 4.562,1219 0.144,1220 3.857,1221 0.059,1222 6.841,1223 0.392,1224 4.196,1225 0.105,1226 3.271,1227 4.177,1228 1.718,1229 11.366,1230 3.031,1231 1.935,1232 1.913,1233 2.031,1234 2.025,1235 1.22,1236 2.03,1237 1.708,1238 1.658,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.646,1244 1.621,1245 1.681,1246 1.858,1247 0.834,1248 1.819,1249 1.223,1250 1.2,1251 1.552,1252 1.418,1253 0.825,1254 1.47,1255 1.201,1256 1.127,1257 1.513,1258 1.413,1259 0.608,1260 1.429,1261 1.153,1262 1.064,1263 1.359,1264 1.376,1265 0.563,1266 1.407,1267 1.062,1268 1.018,1269 1.153,1270 1.289,1271 0.34,1272 1.28,1273 0.881,1274 0.863,1275 0.953,1276 1.116,1277 0.069,1278 1.081,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.727,1285 8.612,1286 6.88,1287 10.3,1289 1.909,1290 6.192,1295 2.983,1296 2.398,1297 5.365,1300 3.572,1305 28.932,1306 81.601,1307 167.714,1308 201.82,1309 206.574,1310 206.574,1311 206.574,1312 47.43,1313 7.581,1314 80.22,1315 108.46,1316 23,1317 12.681,1318 3.807,1319 3.087,1320 37.806,1321 87,1322 89,1323 0.214,1324 182.405,1325 317.03,1326 436.827,1327 19319,1328 2.3,1329 18.259,1330 0.702,1331 0.604,1332 19.112,1333 15.693,1334 12.542,1335 0.432,1336 0.326,1337 8.196,1338 11.258,1339 7.917,1340 6.462,1341 13.239,1342 9.442,1343 11.574,1344 0.276,1345 0.179,1346 12.561,1347 7.503,1348 10.222,1349 0.176,1350 0.104,1351 11.519,1352 6.029,1353 8.422,1354 0.109,1355 0.054,1356 9.58,1357 4.191,1358 6.787,1359 0.068,1360 0.029,1361 7.845,1362 2.863,1363 0.327,1364 86.592,1365 0.228,1366 24.621,1367 0.62,1368 142,1369 469.539,1370 201.109,1371 492.707,1372 657.44,1373 460,1374 171,1375 437.923,1376 226.567,1377 464.365,1378 692.81,1379 436,1380 4.301}
{0 CHEMBL2089116,1 1.86,2 9.333,3 4.71,4 22.185,5 107.296,6 8.846,7 0.367,8 3.962,9 4.059,10 3.719,11 3.505,12 5.057,13 3.485,14 4.53,15 4.693,16 4.147,17 3.901,18 5.62,19 3.865,20 4.671,21 4.831,22 4.275,23 4.043,24 5.731,25 3.985,26 4.788,27 4.973,28 4.192,29 4.087,30 5.914,31 3.982,32 4.746,33 4.952,34 4.107,35 4.005,36 5.756,37 3.908,38 4.658,39 4.833,40 4.13,41 3.97,42 5.786,43 3.927,44 4.7,45 4.849,46 4.18,47 3.993,48 5.899,49 3.923,50 4.676,51 4.863,52 3.986,53 3.863,54 5.819,55 3.737,56 0.093,57 0.702,58 7.618,59 4.263,60 6.344,61 4.842,62 0.583,63 1.151,64 20.2,65 7.075,66 32.007,67 8.231,68 0.436,69 1.314,70 24.07,71 8.727,72 23.072,73 10.285,74 0.751,75 1.434,76 34.036,77 10.484,78 56.407,79 11.939,80 0.587,81 1.354,82 36.645,83 10.81,84 35.272,85 12.644,86 0.514,87 1.249,88 21.723,89 8.109,90 41.537,91 9.351,92 0.698,93 1.274,94 27.238,95 8.9,96 54.523,97 9.179,98 0.703,99 1.104,100 32.308,101 9.887,102 60.555,103 10.62,104 18,105 43,106 0.32,107 0.652,108 0.814,109 0.831,110 0.831,111 0.831,112 3.341,113 0.98,114 -5.25,115 -5.14,116 -4.81,119 39.1,120 1,124 1,125 5,142 3,143 2,144 1,147 1,152 1,158 1,159 1,162 1,172 5,174 6,175 3,183 7,186 1,187 5,195 7,198 6,199 5,207 2,211 3,212 10,220 1,223 1,224 8,232 2,236 1,237 10,245 2,249 2,250 4,258 2,262 1,263 5,275 1110,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.693,282 26.566,283 10.665,284 19.265,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 12.037,291 37.938,292 4.972,293 16.201,294 3.664,295 1.728,296 0.788,297 0.685,298 0.685,299 0.685,300 4.036,301 1,304 1,305 1,306 545,307 2.646,310 53.354,311 228.555,314 102.358,318 1.457,319 28.831,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.333,331 252,332 4.583,333 3.764,334 6.857,335 4.193,336 3.279,337 4.203,338 1.727,339 11.449,340 3.005,341 4.314,342 3.327,343 6.347,344 3.906,345 2.949,346 3.977,347 1.017,348 9.493,349 2.815,350 3.982,351 3.175,352 6.138,353 3.65,354 2.762,355 3.297,356 0.86,357 8.998,358 2.448,359 3.629,360 3.128,361 5.867,362 3.324,363 2.398,364 2.8,365 0.8,366 7.909,367 2.208,368 3.452,369 2.65,370 5.274,371 3.032,372 2.11,373 2.631,374 0.779,375 6.333,376 1.922,377 3.246,378 2.463,379 5.013,380 2.828,381 1.909,382 2.461,383 0.222,384 5.577,385 1.685,386 2.87,387 2.237,388 4.425,389 2.563,390 1.697,391 2.029,393 4.297,394 1.455,395 2.864,396 1.733,397 3.912,398 2.414,399 1.414,400 1.905,402 3.186,403 1.414,404 2.349,405 1.526,406 3.789,407 1.984,408 1.137,409 1.266,411 2.728,412 0.951,413 2.178,414 1.258,415 3.749,416 1.952,417 1,418 1.076,420 2.246,421 0.946,422 2.008,423 1.256,424 3.471,425 1.721,426 0.832,427 1,428 2.136,429 0.723,430 2,431 1.219,432 3.247,433 1.606,434 0.754,435 0.912,436 2.066,437 0.624,438 1.569,439 1.092,440 2.893,441 1.197,442 0.322,443 0.361,445 0.599,446 0.266,447 1.402,448 0.702,449 2.681,450 0.986,451 0.076,452 0.096,454 0.146,455 0.063,456 1.021,457 0.198,458 2.416,459 0.581,460 -0.336,461 -0.435,463 -0.813,464 -0.279,465 13.148,466 0.487,467 0.678,468 0.025,469 33,470 1.222,471 14,472 0.519,473 19,474 0.704,475 25.612,476 0.949,477 29.452,478 0.64,479 23.88,480 0.884,481 6.503,482 0.241,483 6.577,484 0.244,485 0.156,487 0.365,493 0.785,494 1.507,495 0.607,496 1.028,497 0.581,498 0.936,499 1.009,500 0.829,501 0.69,502 0.664,503 0.651,504 0.669,505 0.918,506 1.34,507 0.829,508 1.034,509 0.765,510 0.958,511 0.918,512 1.016,513 1.301,514 1.128,515 0.875,516 1.079,517 0.703,518 1.113,519 1.142,520 1.278,521 0.677,522 1.02,523 1.193,524 1.01,525 0.727,526 0.755,527 1.505,528 0.824,529 1.347,530 1.12,531 1.224,532 1.195,533 1.595,534 1.156,535 1.329,536 1.041,537 1.138,538 1.123,539 1.622,540 1.171,541 5,542 0.078,543 3.556,544 1.91,545 1.975,546 1.108,547 0.79,548 0.559,549 0.31,550 0.13,551 8087,552 25379,553 2.097,554 41.3,555 3,556 16,564 1.708,565 1.952,566 3.212,567 -0.659,573 85.56,574 1.86,575 3.795,576 4.735,577 4.839,578 4.839,579 4.839,580 2.672,581 4.533,582 4.726,583 3.347,584 1174.96,585 8.243,586 14589.2,588 1,591 254.084,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.042,598 0.047,599 0.028,600 0.018,601 0.014,602 0.011,603 0.007,604 0.423,605 0.17,606 1,607 0.76,608 131.098,609 -0.052,610 -0.345,611 0.052,612 -0.103,613 -0.024,614 -0.047,615 0.031,616 0.274,617 0.131,618 0.267,619 0.062,620 0.226,621 -0.039,622 -0.267,623 0.079,624 -0.057,625 -0.004,626 -0.019,627 0.017,628 0.077,629 -0.198,630 -0.079,631 0.039,632 -0.129,633 0.101,634 -0.066,635 -0.056,636 -0.176,637 0.06,638 -0.009,639 -0.175,640 0.045,641 0.025,642 0.121,643 -0.18,644 0.076,645 -0.174,646 -0.018,647 -0.224,648 -0.175,649 -0.187,650 -0.262,651 -0.125,652 -0.087,653 -0.097,654 -0.088,655 -0.11,656 -0.202,657 1.988,658 5.482,659 0.778,660 23.012,661 1.019,662 1.126,663 4.024,664 16.193,665 0.695,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.812,672 4.963,673 5.118,674 5.209,675 5.236,676 5.707,677 0.662,678 406.93,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.471,686 10.381,687 11.292,688 12.206,689 8.7,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 1,731 46,733 13,734 1,735 30,737 49,738 18,739 9,740 3,741 3,742 2,746 4,747 5,748 1,752 1,761 11,762 7,766 2,771 1,774 1,775 2,781 19,782 7,784 9,785 2,790 4,794 0.75,795 3,811 1,812 3,815 1,839 2,840 3,842 1,844 2,845 1,848 27,854 5,856 2,859 2,863 1,869 1,870 6.5,873 1,874 1,875 1,877 13.833,878 9.11,879 5.944,880 2.7,881 2.399,882 1.314,883 0.984,884 5.46,885 10.041,886 3.651,887 4.23,888 4.809,889 5.347,890 5.801,891 6.12,892 6.423,893 6.789,894 7.075,895 7.268,896 1,897 46,898 9.995,900 4.272,901 7.751,902 19.062,904 15.657,905 2.251,906 60.778,909 1,910 223.651,911 118.066,912 39.82,913 39.149,914 47.145,916 31.278,917 86.788,918 309.944,919 39.82,920 19.708,921 15.502,922 28.429,923 57.635,924 44.407,925 8.072,926 254.929,927 39.149,928 223.651,929 126.608,930 47.145,931 70.426,933 223.651,934 36.145,935 11,937 41.613,938 68.209,939 55.934,940 31.278,941 223.651,942 86.964,943 157.214,946 223.651,947 69.929,948 54.386,950 119.864,951 223.651,952 86.964,953 157.214,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.082,962 4,963 1,964 1.095,965 3.759,966 243.897,967 0.095,968 21,969 124.382,970 1,974 18.813,975 7.836,976 3.613,978 86.964,979 5.764,980 4.753,983 1.363,984 4.612,987 467.83,988 37.5,993 12.482,996 4.106,997 -0.08,999 46.858,1000 51.807,1001 0.337,1002 0.687,1003 0.857,1004 0.876,1005 0.876,1006 0.876,1007 4.918,1008 1.414,1009 5.866,1010 4.297,1011 4.466,1012 4.916,1013 2.486,1014 6.723,1015 4.287,1016 6.121,1017 1.137,1018 7.456,1019 3.186,1020 4.111,1021 4.771,1022 1.288,1023 7.7,1024 3.85,1025 7.439,1026 1,1027 9.148,1028 2.728,1029 6.103,1030 7.073,1031 2.907,1032 10.837,1033 5.768,1034 8.793,1035 0.832,1036 10.897,1037 2.246,1038 6.581,1039 7.765,1040 2.417,1041 12.63,1042 6.159,1043 10.181,1044 0.754,1045 12.684,1046 2.136,1047 8.043,1048 9.545,1049 3.662,1050 15.288,1051 7.557,1052 11.592,1053 0.322,1054 14.494,1055 2.066,1056 8.891,1057 10.614,1058 3.597,1059 17.419,1060 8.318,1061 13.021,1062 0.076,1063 16.323,1064 0.599,1065 10.155,1066 12.188,1067 4.589,1068 19.915,1069 9.516,1070 3.279,1071 -0.336,1072 18.164,1073 0.146,1074 11.172,1075 13.437,1076 4.766,1077 22.201,1078 10.447,1079 2.949,1080 11.449,1081 20.015,1082 -0.813,1083 12.363,1084 14.924,1085 5.597,1086 24.641,1087 11.567,1088 2.762,1089 9.493,1090 21.874,1091 4.203,1092 13.458,1093 16.258,1094 5.913,1095 26.999,1096 12.577,1097 2.398,1098 8.998,1099 23.74,1100 3.977,1101 14.624,1102 17.707,1103 6.641,1104 29.424,1105 13.668,1106 2.11,1107 7.909,1108 25.611,1109 3.297,1110 15.756,1111 19.084,1112 7.041,1113 31.818,1114 14.714,1115 1.909,1116 6.333,1117 27.488,1118 2.8,1119 16.917,1120 20.516,1121 7.705,1122 34.241,1123 15.796,1124 1.697,1125 5.577,1126 29.369,1127 2.631,1128 18.067,1129 21.914,1130 8.157,1131 36.654,1132 16.86,1133 7756,1134 13887,1135 19.997,1136 31.983,1137 45.891,1138 47.428,1139 47.432,1140 45.326,1141 45.278,1142 56.03,1143 10.81,1144 134.324,1145 41.047,1146 5.583,1147 5.764,1148 6.659,1149 5.342,1150 5.279,1151 7.203,1152 3.125,1153 18.965,1154 5.005,1155 13.103,1156 1.53,1157 1.581,1158 1.581,1159 1.511,1160 1.509,1161 1.868,1162 0.36,1163 4.477,1164 1.368,1165 4.019,1166 4.047,1167 4.275,1168 3.942,1169 7.431,1170 3.925,1171 3.893,1172 3.917,1173 4.018,1174 3.848,1175 4.949,1176 3.814,1177 3.721,1178 3.769,1179 3.632,1180 3.497,1181 4.879,1182 3.517,1183 3.395,1184 3.426,1185 3.506,1186 3.199,1187 4.693,1188 3.193,1189 3.191,1190 3.261,1191 3.339,1192 3.032,1193 4.562,1194 3.022,1195 3.161,1196 3.24,1197 3.045,1198 2.99,1199 4.333,1200 2.982,1201 3.116,1202 3.206,1203 2.987,1204 2.941,1205 4.03,1206 2.91,1207 3.111,1208 3.162,1209 2.894,1210 2.834,1211 3.894,1212 2.852,1213 0.153,1214 0.125,1215 0.229,1216 0.14,1217 0.109,1218 4.583,1219 0.14,1220 3.764,1221 0.058,1222 6.857,1223 0.382,1224 4.193,1225 0.1,1226 3.279,1227 4.203,1228 1.727,1229 11.449,1230 3.005,1231 1.935,1232 1.913,1233 2.031,1234 2.024,1235 1.221,1236 2.029,1237 1.708,1238 1.659,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.652,1244 1.627,1245 1.695,1246 1.854,1247 0.837,1248 1.816,1249 1.22,1250 1.201,1251 1.556,1252 1.507,1253 0.825,1254 1.521,1255 1.207,1256 1.132,1257 1.541,1258 1.418,1259 0.607,1260 1.469,1261 1.183,1262 1.112,1263 1.513,1264 1.379,1265 0.577,1266 1.429,1267 1.153,1268 1.064,1269 1.323,1270 1.376,1271 0.549,1272 1.38,1273 1.06,1274 1.014,1275 1.147,1276 1.283,1277 0.335,1278 1.278,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.727,1285 8.636,1286 6.88,1287 10.325,1289 3.474,1290 6.265,1295 3.288,1297 10.787,1300 3.963,1305 30.459,1306 85.56,1307 174.574,1308 217.819,1309 222.574,1310 222.574,1311 222.574,1312 42.768,1313 7.643,1314 69.48,1315 97.72,1316 23,1317 12.72,1318 3.807,1319 3.087,1320 39.883,1321 90,1322 96,1323 0.216,1324 191.997,1325 334.33,1326 460.233,1327 20547,1328 2.2,1329 18.966,1330 0.702,1331 0.616,1332 19.819,1333 16.64,1334 13.08,1335 0.436,1336 0.327,1337 8.525,1338 11.718,1339 8.191,1340 6.726,1341 13.777,1342 9.797,1343 11.766,1344 0.274,1345 0.178,1346 12.752,1347 7.647,1348 10.552,1349 0.176,1350 0.103,1351 11.849,1352 6.151,1353 8.67,1354 0.108,1355 0.054,1356 9.828,1357 4.295,1358 7.154,1359 0.068,1360 0.028,1361 8.186,1362 2.928,1363 0.328,1364 90.358,1365 0.224,1366 25.358,1367 0.63,1368 146,1369 480.851,1370 205.884,1371 500.553,1372 674.09,1373 470,1374 176,1375 453.396,1376 232.896,1377 481.624,1378 718.25,1379 450,1380 5.796}
{0 CHEMBL2089117,1 1.915,2 9.308,3 4.081,4 16.658,5 109.164,6 9.511,7 0.379,8 3.897,9 3.995,10 3.715,11 3.5,12 4.978,13 3.459,14 4.462,15 4.616,16 4.177,17 3.907,18 5.545,19 3.853,20 4.656,21 4.817,22 4.302,23 4.088,24 5.723,25 3.987,26 4.717,27 4.896,28 4.237,29 4.113,30 5.855,31 3.955,32 4.644,33 4.863,34 4.146,35 3.997,36 5.626,37 3.835,38 4.444,39 4.595,40 4.115,41 3.907,42 5.589,43 3.829,44 4.574,45 4.726,46 4.227,47 3.986,48 5.797,49 3.851,50 4.547,51 4.743,52 3.917,53 3.801,54 5.699,55 3.607,56 0.081,57 0.664,58 5.88,59 3.802,60 6.302,61 4.228,62 0.416,63 1.156,64 17.054,65 6.703,66 23.556,67 7.458,68 0.437,69 1.333,70 24.015,71 9.47,72 29.148,73 10.189,74 0.519,75 1.445,76 35.949,77 11.732,78 53.806,79 12.22,80 0.546,81 1.323,82 39.329,83 11.595,84 35.029,85 12.129,86 0.294,87 1.119,88 16.264,89 7.043,90 24.336,91 7.387,92 0.515,93 1.218,94 27.456,95 9.146,96 51.834,97 8.481,98 0.579,99 1.068,100 37.168,101 11.03,102 61.38,103 10.771,104 17,105 42,106 0.334,107 0.687,108 0.817,109 0.837,110 0.837,111 0.837,112 3.305,113 1.019,114 -4.56,115 -4.49,116 -4.22,119 39.5,120 1,125 5,142 3,143 2,144 1,147 1,152 1,158 1,159 1,162 1,172 5,174 2,175 3,178 2,183 7,186 1,187 4,192 1,195 7,198 3,199 3,202 1,204 1,207 2,211 2,212 5,215 1,217 2,220 1,224 4,229 2,232 2,236 1,237 6,242 2,245 2,249 1,250 4,253 1,258 2,263 5,275 972,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.876,282 25.599,283 10.14,284 18.293,285 14.289,286 14.289,287 14.289,288 14.289,289 14.289,290 11.711,291 36.926,292 4.813,293 15.695,294 3.511,295 1.479,296 0.733,297 0.622,298 0.622,299 0.622,300 3.999,301 1,304 1,305 1,306 526,307 2.449,310 50.243,311 218.771,314 97.203,318 1.485,319 26.661,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.333,331 242,332 4.562,333 3.983,334 6.841,335 4.184,336 3.271,337 4.177,338 1.816,339 11.366,340 2.994,341 4.315,342 3.475,343 6.346,344 3.906,345 2.949,346 3.977,347 1.009,348 9.484,349 2.815,350 3.931,351 3.287,352 6.12,353 3.64,354 2.75,355 3.173,356 0.86,357 8.929,358 2.442,359 3.638,360 3.14,361 5.828,362 3.298,363 2.371,364 2.828,365 0.8,366 7.736,367 2.182,368 3.37,369 2.8,370 5.185,371 2.99,372 2.076,373 2.533,374 0.699,375 6.077,376 1.871,377 3.25,378 2.467,379 5.009,380 2.817,381 1.901,382 2.457,383 0.076,384 5.561,385 1.668,386 2.867,387 2.254,388 4.404,389 2.543,390 1.677,391 2.029,393 4.233,394 1.439,395 2.852,396 1.787,397 3.895,398 2.414,399 1.414,400 1.889,402 3.185,403 1.414,404 2.354,405 1.528,406 3.758,407 1.952,408 1.085,409 1.241,411 2.653,412 0.946,413 2.167,414 1.256,415 3.631,416 1.927,417 1,418 1.069,420 2.236,421 0.903,422 2,423 1.254,424 3.456,425 1.624,426 0.764,427 1,428 2.136,429 0.632,430 1.984,431 1.093,432 3.247,433 1.602,434 0.696,435 0.841,436 1.835,437 0.612,438 1.389,439 0.926,440 2.842,441 1.065,442 0.168,443 0.195,445 0.392,446 0.133,447 1.005,448 0.671,449 2.594,450 0.582,451 -0.334,452 -0.42,454 -0.807,455 -0.274,456 1,457 0.089,458 2.403,459 0.369,460 -0.536,461 -0.693,463 -1.281,464 -0.463,465 13.148,466 0.506,467 0.716,468 0.028,469 31.5,470 1.212,471 13.5,472 0.519,473 18,474 0.692,475 24.962,476 0.96,477 27.652,478 0.643,479 21.857,480 0.841,481 6.066,482 0.233,483 6.475,484 0.249,485 0.181,487 0.365,493 0.788,494 1.33,495 0.565,496 0.821,497 0.555,498 0.834,499 0.954,500 0.969,501 0.629,502 0.729,503 0.596,504 0.725,505 0.998,506 1.155,507 0.849,508 0.922,509 0.907,510 0.931,511 0.816,512 1.139,513 1.333,514 1.293,515 0.823,516 1.174,517 0.665,518 0.885,519 1.045,520 1.003,521 0.608,522 0.883,523 1.101,524 1.118,525 0.777,526 0.834,527 1.167,528 0.856,529 1.274,530 1.054,531 1.166,532 1.112,533 1.646,534 1.121,535 1.194,536 1.031,537 1.315,538 1.277,539 1.703,540 1.167,541 5,542 0.066,543 3.556,544 1.91,545 1.855,546 1.046,547 0.693,548 0.512,549 0.29,550 0.12,551 7476,552 24383,553 2.101,554 39.5,555 3,556 13,559 1,564 1.696,565 1.95,566 3.216,567 -0.218,569 1,573 82.356,574 1.915,575 3.947,576 4.693,577 4.804,578 4.804,579 4.804,580 2.676,581 4.133,582 4.672,583 3.347,584 1087.71,585 8.124,586 13136.4,588 1,590 1,591 233.329,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.043,598 0.048,599 0.029,600 0.018,601 0.015,602 0.012,603 0.008,604 0.435,605 0.33,606 1,607 0.596,608 124.886,609 -0.072,610 -0.245,611 0.027,612 -0.039,613 -0.033,614 -0.015,615 0.023,616 0.102,617 0.111,618 0.115,619 0.052,620 0.137,621 -0.066,622 -0.139,623 0.035,624 0.01,625 -0.053,626 -0.005,627 0.018,628 -0.078,629 -0.192,630 -0.197,631 0.074,632 -0.187,633 0.12,634 0.145,635 0.051,636 0.083,637 0.051,638 0.149,639 -0.187,640 -0.039,642 0.049,643 -0.107,644 0.017,645 -0.174,646 0.045,647 -0.128,648 -0.073,649 -0.184,650 -0.216,651 -0.013,652 -0.081,653 -0.121,654 -0.113,655 -0.093,656 -0.123,657 1.86,658 5.392,659 0.808,660 21.538,661 1.017,662 1.119,663 3.333,664 11.108,665 0.731,666 3.401,667 3.761,668 4.078,669 4.357,670 4.615,671 4.754,672 4.883,673 5.043,674 5.136,675 5.147,676 5.658,677 0.684,678 408.97,679 3.401,680 4.963,681 5.838,682 6.735,683 7.629,684 8.534,685 9.437,686 10.346,687 11.254,688 12.166,689 9.3,695 1,696 2,699 1,704 3,705 1,708 1,709 6,711 11,726 1,730 1,731 43,733 13,734 1,735 29,737 46,738 17,739 9,740 3,741 3,742 1,746 4,747 5,748 1,751 1,752 1,761 11,762 6,766 2,771 1,772 1,775 2,778 1,781 17,782 6,783 1,784 9,785 3,790 4,792 1,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 2,844 1,845 1,848 26,854 5,855 1,856 1,859 2,863 1,869 1,870 4.7,873 1,874 1,877 13.333,878 8.16,879 5.611,880 2.558,881 2.076,882 1.274,883 1.003,884 5.254,885 9.656,886 3.624,887 4.201,888 4.75,889 5.288,890 5.709,891 6.002,892 6.232,893 6.547,894 6.832,895 6.992,896 1,897 44,898 9.623,900 4.159,901 7.748,902 18.398,904 15.355,905 2.248,906 58.444,909 1,910 188.338,911 148.274,912 41.045,913 39.149,914 36.145,916 76.47,917 71.804,918 263.631,919 41.045,920 8.825,921 36.637,922 28.429,923 57.635,924 13.497,925 3.971,926 219.615,927 84.341,928 188.338,929 112.849,930 36.145,931 115.618,933 188.338,934 25.145,935 11,937 45.963,938 50.1,939 55.934,940 76.47,941 188.338,942 77.19,943 187.422,946 188.338,947 65.828,948 43.503,949 18.011,950 137.271,951 188.338,952 77.19,953 187.422,955 0.592,956 0.357,957 0.19,958 0.105,959 22,960 10,961 0.065,962 3,963 1,964 1.095,965 3.701,966 231.105,967 0.095,968 21,969 118.211,970 1,971 1,974 18.256,975 7.482,976 3.541,978 77.19,979 5.786,980 4.738,983 1.394,984 4.777,986 18.011,987 452.95,988 36.5,993 12.392,994 5.413,997 0.168,999 43.724,1000 48.102,1001 0.353,1002 0.727,1003 0.865,1004 0.885,1005 0.885,1006 0.885,1007 4.896,1008 1.414,1009 5.844,1010 4.233,1011 4.443,1012 4.887,1013 2.484,1014 6.698,1015 4.264,1016 6.098,1017 1.085,1018 7.434,1019 3.185,1020 4.111,1021 4.771,1022 1.494,1023 7.667,1024 3.839,1025 7.416,1026 1,1027 9.126,1028 2.653,1029 6.08,1030 7.028,1031 2.996,1032 10.804,1033 5.746,1034 8.766,1035 0.764,1036 10.875,1037 2.236,1038 6.567,1039 7.739,1040 2.741,1041 12.586,1042 6.138,1043 10.151,1044 0.696,1045 12.66,1046 2.136,1047 8.021,1048 9.494,1049 3.874,1050 15.245,1051 7.535,1052 11.558,1053 0.168,1054 14.47,1055 1.835,1056 8.872,1057 10.574,1058 4.018,1059 17.367,1060 8.294,1061 12.984,1062 -0.334,1063 16.296,1064 0.392,1065 10.132,1066 12.135,1067 4.926,1068 19.861,1069 9.492,1070 3.271,1071 -0.536,1072 18.136,1073 -0.807,1074 11.15,1075 13.388,1076 5.273,1077 22.137,1078 10.421,1079 2.949,1080 11.366,1081 19.986,1082 -1.281,1083 12.338,1084 14.868,1085 6.051,1086 24.573,1087 11.54,1088 2.75,1089 9.484,1090 21.844,1091 4.177,1092 13.432,1093 16.202,1094 6.507,1095 26.923,1096 12.547,1097 2.371,1098 8.929,1099 23.708,1100 3.977,1101 14.597,1102 17.646,1103 7.209,1104 29.342,1105 13.636,1106 2.076,1107 7.736,1108 25.578,1109 3.173,1110 15.726,1111 19.02,1112 7.724,1113 31.728,1114 14.679,1115 1.901,1116 6.077,1117 27.453,1118 2.828,1119 16.886,1120 20.448,1121 8.384,1122 34.144,1123 15.759,1124 1.677,1125 5.561,1126 29.332,1127 2.533,1128 18.034,1129 21.842,1130 8.932,1131 36.549,1132 16.82,1133 7136,1134 13028,1135 19.304,1136 31.415,1137 44.632,1138 47.25,1139 45.926,1140 44.348,1141 44.244,1142 54.815,1143 10.522,1144 131.642,1145 40.104,1146 5.562,1147 5.983,1148 6.643,1149 5.33,1150 5.271,1151 7.177,1152 3.219,1153 18.864,1154 4.994,1155 12.672,1156 1.539,1157 1.629,1158 1.584,1159 1.529,1160 1.526,1161 1.89,1162 0.363,1163 4.539,1164 1.383,1165 4.014,1166 4.042,1167 4.286,1168 3.948,1169 7.429,1170 3.926,1171 3.893,1172 3.916,1173 4.021,1174 3.85,1175 4.948,1176 3.814,1177 3.716,1178 3.764,1179 3.868,1180 3.512,1181 4.876,1182 3.52,1183 3.328,1184 3.356,1185 3.579,1186 3.309,1187 4.687,1188 3.211,1189 3.202,1190 3.261,1191 3.37,1192 3.036,1193 4.555,1194 3.019,1195 3.166,1196 3.244,1197 3.121,1198 2.995,1199 4.33,1200 2.982,1201 3.111,1202 3.206,1203 3.013,1204 2.941,1205 3.902,1206 2.91,1207 2.866,1208 2.87,1209 2.881,1210 2.746,1211 3.76,1212 2.74,1213 0.157,1214 0.137,1215 0.236,1216 0.144,1217 0.113,1218 4.562,1219 0.144,1220 3.983,1221 0.063,1222 6.841,1223 0.392,1224 4.184,1225 0.103,1226 3.271,1227 4.177,1228 1.816,1229 11.366,1230 2.994,1231 1.936,1232 1.913,1233 2.03,1234 2.017,1235 1.221,1236 2.028,1237 1.708,1238 1.659,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.654,1244 1.63,1245 1.659,1246 1.823,1247 0.846,1248 1.803,1249 1.223,1250 1.204,1251 1.552,1252 1.418,1253 0.825,1254 1.47,1255 1.202,1256 1.128,1257 1.513,1258 1.413,1259 0.609,1260 1.429,1261 1.153,1262 1.064,1263 1.355,1264 1.376,1265 0.563,1266 1.407,1267 1.063,1268 1.018,1269 1.152,1270 1.286,1271 0.343,1272 1.28,1273 0.916,1274 0.911,1275 0.949,1276 1.021,1277 0.086,1278 1.037,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.727,1285 8.612,1286 6.88,1287 10.3,1289 1.977,1290 6.244,1295 3.378,1296 2.769,1297 5.398,1300 4.011,1305 29.405,1306 82.356,1307 169.714,1308 201.82,1309 206.574,1310 206.574,1311 206.574,1312 41.38,1313 7.581,1314 63.15,1315 123.48,1316 23,1317 12.681,1318 3.807,1319 3.087,1320 37.806,1321 87,1322 89,1323 0.214,1324 189.539,1325 326.75,1326 454.236,1327 19319,1328 2.3,1329 18.259,1330 0.702,1331 0.635,1332 19.612,1333 16.509,1334 12.542,1335 0.432,1336 0.34,1337 8.245,1338 11.086,1339 7.917,1340 6.462,1341 13.527,1342 9.85,1343 11.574,1344 0.276,1345 0.188,1346 12.932,1347 7.889,1348 10.222,1349 0.176,1350 0.11,1351 11.851,1352 6.352,1353 8.422,1354 0.109,1355 0.058,1356 9.958,1357 4.435,1358 6.787,1359 0.068,1360 0.031,1361 8.174,1362 3.119,1363 0.327,1364 88.901,1365 0.228,1366 24.621,1367 0.62,1368 142,1369 440.663,1370 212.708,1371 492.707,1372 657.44,1373 460,1374 171,1375 427.658,1376 234.595,1377 464.365,1378 692.81,1379 436,1380 5.699}
{0 CHEMBL2089118,1 1.876,2 9.333,3 5.268,4 27.755,5 113.739,6 9.196,7 0.367,8 3.952,9 4.048,10 3.782,11 3.574,12 5.017,13 3.514,14 4.516,15 4.676,16 4.201,17 3.957,18 5.57,19 3.887,20 4.664,21 4.824,22 4.329,23 4.104,24 5.704,25 4.011,26 4.775,27 4.96,28 4.283,29 4.161,30 5.842,31 4.017,32 4.737,33 4.944,34 4.224,35 4.101,36 5.717,37 3.947,38 4.646,39 4.82,40 4.217,41 4.056,42 5.74,43 3.963,44 4.681,45 4.829,46 4.301,47 4.113,48 5.837,49 3.97,50 4.66,51 4.844,52 4.044,53 3.957,54 5.778,55 3.774,56 0.058,57 0.709,58 7.329,59 4.405,60 4.96,61 4.967,62 0.424,63 1.224,64 23.072,65 7.894,66 24.804,67 8.681,68 0.374,69 1.355,70 23.732,71 9.295,72 20.67,73 10.517,74 0.55,75 1.536,76 36.911,77 11.643,78 41.769,79 12.48,80 0.516,81 1.443,82 39.951,83 12.337,84 33.181,85 13.276,86 0.39,87 1.328,88 23.081,89 8.994,90 35.887,91 9.814,92 0.507,93 1.376,94 33.264,95 10.741,96 42.912,97 10.291,98 0.551,99 1.217,100 36.662,101 11.595,102 52.211,103 11.735,104 18,105 43,106 0.322,107 0.652,108 0.814,109 0.831,110 0.831,111 0.831,112 3.341,113 1.102,114 -5.61,115 -5.48,116 -5.11,119 39.1,120 1,124 1,125 5,142 3,143 2,144 1,147 1,152 1,158 1,159 1,162 1,172 5,174 4,175 5,183 7,186 1,187 5,195 7,198 4,199 6,207 3,211 3,212 7,220 4,224 7,232 4,236 1,237 8,245 4,249 2,250 4,258 2,263 6,275 1110,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.693,282 25.454,283 10.665,284 19.375,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 12.037,291 36.307,292 4.972,293 16.318,294 3.647,295 1.728,296 0.788,297 0.685,298 0.685,299 0.685,300 4.036,301 1,304 1,305 1,306 545,307 2.646,310 53.354,311 228.555,314 102.358,318 1.457,319 25.988,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 58.333,331 252,332 4.583,333 4.487,334 6.857,335 4.191,336 3.279,337 4.203,338 3.66,339 11.449,340 2.997,341 4.314,342 3.603,343 6.347,344 3.906,345 2.949,346 3.977,347 1.12,348 9.493,349 2.815,350 3.982,351 3.304,352 6.138,353 3.647,354 2.762,355 3.297,356 0.897,357 8.998,358 2.443,359 3.629,360 3.144,361 5.867,362 3.317,363 2.398,364 2.8,365 0.86,366 7.909,367 2.191,368 3.452,369 2.959,370 5.274,371 3.022,372 2.11,373 2.631,374 0.8,375 6.333,376 1.893,377 3.246,378 2.543,379 5.013,380 2.826,381 1.909,382 2.461,383 0.298,384 5.577,385 1.677,386 2.87,387 2.459,388 4.425,389 2.559,390 1.697,391 2.029,393 4.297,394 1.448,395 2.864,396 2.237,397 3.912,398 2.414,399 1.414,400 1.905,402 3.186,403 1.414,404 2.349,405 1.74,406 3.789,407 1.971,408 1.137,409 1.266,411 2.728,412 0.946,413 2.178,414 1.526,415 3.749,416 1.952,417 1,418 1.076,420 2.246,421 0.934,422 2.008,423 1.256,424 3.471,425 1.705,426 0.832,427 1,428 2.136,429 0.704,430 2,431 1.253,432 3.247,433 1.605,434 0.754,435 0.912,436 2.066,437 0.624,438 1.569,439 1.096,440 2.893,441 1.165,442 0.322,443 0.361,445 0.599,446 0.253,447 1.402,448 1.009,449 2.681,450 0.964,451 0.076,452 0.096,454 0.146,455 0.061,456 1.021,457 0.701,458 2.416,459 0.581,460 -0.336,461 -0.435,463 -0.813,464 -0.279,465 13.648,466 0.505,467 0.678,468 0.025,469 32.5,470 1.204,471 14,472 0.519,473 18.5,474 0.685,475 27.904,476 1.033,477 28.952,478 0.629,479 21.588,480 0.8,481 5.792,482 0.215,483 7.287,484 0.27,485 0.15,487 0.352,493 0.742,494 1.369,495 0.626,496 0.902,497 0.567,498 0.886,499 0.967,500 0.999,501 0.815,502 0.88,503 0.6,504 0.741,505 0.957,506 1.226,507 0.787,508 0.901,509 0.767,510 0.908,511 0.922,512 1.058,513 1.282,514 1.171,515 0.921,516 1.084,517 0.684,518 0.988,519 1.031,520 1.059,521 0.673,522 0.961,523 1.21,524 0.992,525 0.773,526 0.765,527 1.529,528 0.813,529 1.235,530 1.156,531 1.298,532 1.269,533 1.574,534 1.191,535 1.183,536 1.107,537 1.272,538 1.282,539 1.567,540 1.237,541 5,542 0.078,543 3.556,544 1.91,545 1.975,546 1.108,547 0.79,548 0.559,549 0.31,550 0.13,551 8087,552 25379,553 2.097,554 41.3,555 3,556 16,564 1.708,565 1.952,566 3.212,567 -0.659,573 86.315,574 1.876,575 3.795,576 4.735,577 4.839,578 4.839,579 4.839,580 2.672,581 4.533,582 4.726,583 3.347,584 1174.96,585 8.243,586 14589.2,591 254.084,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.042,598 0.047,599 0.028,600 0.018,601 0.014,602 0.011,603 0.007,604 0.423,605 0.17,606 0.88,607 0.76,608 131.098,609 -0.038,610 -0.261,611 0.051,612 -0.03,613 -0.029,614 -0.02,615 0.032,616 0.105,617 0.066,618 0.085,619 0.077,620 0.162,621 -0.029,622 -0.187,623 0.078,624 0.012,625 0.002,626 0.009,627 -0.033,628 0.039,629 -0.175,630 -0.117,631 -0.022,632 -0.128,633 0.113,634 0.048,635 0.015,636 -0.001,637 0.056,638 0.042,639 -0.206,640 0.063,641 0.029,642 0.139,643 -0.184,644 0.091,645 -0.165,646 -0.025,647 -0.201,648 -0.164,649 -0.175,650 -0.268,651 -0.042,652 -0.12,653 -0.161,654 -0.174,655 -0.049,656 -0.242,657 1.884,658 5.549,659 0.778,660 23.012,661 1.013,662 1.12,663 4.377,664 19.16,665 0.721,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.812,672 4.963,673 5.118,674 5.209,675 5.236,676 5.707,677 0.672,678 423,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.471,686 10.381,687 11.292,688 12.206,689 8.7,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 1,731 46,733 13,734 1,735 30,737 49,738 18,739 9,740 3,741 3,742 2,746 4,747 5,748 1,752 1,761 11,762 7,766 2,771 1,774 1,775 2,781 19,782 6,784 9,785 3,790 4,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,841 1,842 2,844 2,845 1,848 27,854 5,856 1,857 1,859 2,863 1,869 1,870 4.3,873 1,874 1,877 13.833,878 9.11,879 5.944,880 2.7,881 2.399,882 1.314,883 0.992,884 5.738,885 10.041,886 3.651,887 4.23,888 4.809,889 5.347,890 5.801,891 6.12,892 6.423,893 6.789,894 7.075,895 7.268,896 1,897 46,898 10.009,900 4.278,901 7.689,902 19.266,904 15.959,905 2.189,906 59.111,910 223.651,911 142.9,912 39.82,913 39.149,914 36.145,916 63.497,917 79.403,918 298.944,919 39.82,920 16.016,921 15.502,922 28.429,923 57.635,924 33.407,925 4.379,926 287.148,927 39.149,928 223.651,929 119.222,930 36.145,931 102.646,933 223.651,934 25.145,935 11,937 41.613,938 60.824,939 55.934,940 63.497,941 223.651,942 75.965,943 182.049,946 223.651,947 98.456,948 50.693,950 108.865,951 223.651,952 75.965,953 182.049,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.082,962 4,963 1,964 1.095,965 3.759,966 243.897,967 0.095,968 21,969 124.382,970 2,974 19.186,975 8.075,976 3.749,978 75.965,979 5.871,980 4.82,983 1.41,984 4.976,987 481.664,988 37.5,993 12.549,996 4.291,997 0.441,999 46.607,1000 51.518,1001 0.34,1002 0.687,1003 0.857,1004 0.876,1005 0.876,1006 0.876,1007 4.918,1008 1.414,1009 5.866,1010 4.297,1011 4.466,1012 4.916,1013 3.508,1014 6.723,1015 4.277,1016 6.121,1017 1.137,1018 7.456,1019 3.186,1020 4.111,1021 4.771,1022 2.097,1023 7.7,1024 3.839,1025 7.439,1026 1,1027 9.148,1028 2.728,1029 6.103,1030 7.073,1031 5.81,1032 10.837,1033 5.756,1034 8.793,1035 0.832,1036 10.897,1037 2.246,1038 6.581,1039 7.765,1040 4.99,1041 12.63,1042 6.144,1043 10.181,1044 0.754,1045 12.684,1046 2.136,1047 8.043,1048 9.545,1049 8.341,1050 15.288,1051 7.543,1052 11.592,1053 0.322,1054 14.494,1055 2.066,1056 8.891,1057 10.614,1058 7.867,1059 17.419,1060 8.301,1061 13.021,1062 0.076,1063 16.323,1064 0.599,1065 10.155,1066 12.188,1067 10.893,1068 19.915,1069 9.499,1070 3.279,1071 -0.336,1072 18.164,1073 0.146,1074 11.172,1075 13.437,1076 10.667,1077 22.201,1078 10.428,1079 2.949,1080 11.449,1081 20.015,1082 -0.813,1083 12.363,1084 14.924,1085 13.448,1086 24.641,1087 11.547,1088 2.762,1089 9.493,1090 21.874,1091 4.203,1092 13.458,1093 16.258,1094 13.416,1095 26.999,1096 12.554,1097 2.398,1098 8.998,1099 23.74,1100 3.977,1101 14.624,1102 17.707,1103 16.007,1104 29.424,1105 13.644,1106 2.11,1107 7.909,1108 25.611,1109 3.297,1110 15.756,1111 19.084,1112 16.133,1113 31.818,1114 14.688,1115 1.909,1116 6.333,1117 27.488,1118 2.8,1119 16.917,1120 20.516,1121 18.567,1122 34.241,1123 15.768,1124 1.697,1125 5.577,1126 29.369,1127 2.631,1128 18.067,1129 21.914,1130 18.827,1131 36.654,1132 16.83,1133 7756,1134 13887,1135 19.997,1136 33.176,1137 45.891,1138 49.992,1139 47.432,1140 45.292,1141 45.278,1142 56.03,1143 15.271,1144 134.324,1145 40.802,1146 5.583,1147 6.487,1148 6.659,1149 5.341,1150 5.279,1151 7.203,1152 7.141,1153 18.965,1154 4.997,1155 13.103,1156 1.53,1157 1.666,1158 1.581,1159 1.51,1160 1.509,1161 1.868,1162 0.509,1163 4.477,1164 1.36,1165 4.016,1166 4.045,1167 4.284,1168 3.948,1169 7.431,1170 3.927,1171 3.893,1172 3.916,1173 4.02,1174 3.85,1175 4.934,1176 3.816,1177 3.718,1178 3.765,1179 3.856,1180 3.513,1181 4.831,1182 3.522,1183 3.365,1184 3.397,1185 3.585,1186 3.353,1187 4.599,1188 3.245,1189 3.189,1190 3.26,1191 3.385,1192 3.06,1193 4.398,1194 3.032,1195 3.16,1196 3.236,1197 3.184,1198 3.014,1199 4.315,1200 2.985,1201 3.111,1202 3.206,1203 3.035,1204 2.941,1205 3.899,1206 2.91,1207 3.106,1208 3.158,1209 2.911,1210 2.872,1211 3.792,1212 2.878,1213 0.153,1214 0.15,1215 0.229,1216 0.14,1217 0.109,1218 4.583,1219 0.14,1220 4.487,1221 0.122,1222 6.857,1223 0.382,1224 4.191,1225 0.1,1226 3.279,1227 4.203,1228 3.66,1229 11.449,1230 2.997,1231 1.936,1232 1.913,1233 2.031,1234 2.018,1235 1.222,1236 2.028,1237 1.708,1238 1.661,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.659,1244 1.634,1245 1.662,1246 1.821,1247 0.86,1248 1.799,1249 1.236,1250 1.217,1251 1.552,1252 1.418,1253 0.825,1254 1.487,1255 1.213,1256 1.149,1257 1.513,1258 1.409,1259 0.658,1260 1.469,1261 1.19,1262 1.123,1263 1.511,1264 1.377,1265 0.604,1266 1.429,1267 1.153,1268 1.064,1269 1.323,1270 1.376,1271 0.55,1272 1.38,1273 1.06,1274 1.014,1275 1.147,1276 1.283,1277 0.336,1278 1.278,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.727,1285 8.636,1286 6.88,1287 10.325,1289 3.925,1290 6.291,1295 3.486,1297 5.423,1298 1.448,1300 4.182,1305 30.931,1306 86.315,1307 174.574,1308 217.819,1309 222.574,1310 222.574,1311 222.574,1312 42.629,1313 7.643,1314 60.25,1315 113.79,1316 23,1317 12.72,1318 3.807,1319 3.087,1320 39.883,1321 90,1322 96,1323 0.216,1324 199.132,1325 344.05,1326 477.641,1327 20547,1328 2.2,1329 18.966,1330 0.702,1331 0.647,1332 20.173,1333 17.456,1334 13.08,1335 0.436,1336 0.367,1337 8.674,1338 11.388,1339 8.191,1340 6.726,1341 14.334,1342 11.022,1343 11.766,1344 0.274,1345 0.196,1346 13.218,1347 8.42,1348 10.552,1349 0.176,1350 0.114,1351 12.346,1352 6.828,1353 8.67,1354 0.108,1355 0.061,1356 10.33,1357 4.84,1358 7.154,1359 0.068,1360 0.032,1361 8.686,1362 3.41,1363 0.328,1364 94.819,1365 0.224,1366 25.358,1367 0.63,1368 146,1369 451.976,1370 222.838,1371 500.553,1372 674.09,1373 470,1374 176,1375 440.564,1376 244.939,1377 481.624,1378 718.25,1379 450,1380 5.699}
{0 CHEMBL2089119,1 1.953,2 9.567,3 4.938,4 24.382,5 119.974,6 9.531,7 0.333,8 4.026,9 4.111,10 3.863,11 3.621,12 5.177,13 3.581,14 4.574,15 4.716,16 4.302,17 4.012,18 5.791,19 3.956,20 4.755,21 4.905,22 4.438,23 4.158,24 5.878,25 4.075,26 4.821,27 5,28 4.35,29 4.201,30 5.916,31 4.07,32 4.799,33 4.991,34 4.349,35 4.155,36 5.903,37 4.033,38 4.742,39 4.89,40 4.386,41 4.149,42 5.955,43 4.099,44 4.851,45 4.974,46 4.518,47 4.229,48 6.305,49 4.136,50 4.81,51 4.968,52 4.337,53 4.102,54 6.066,55 3.981,56 0.158,57 0.747,58 6.893,59 4.687,60 15.125,61 4.814,62 0.591,63 1.276,64 21.248,65 8.113,66 54.333,67 8.539,68 0.646,69 1.445,70 26.386,71 10.319,72 53.095,73 10.524,74 0.664,75 1.598,76 38.176,77 12.308,78 51.475,79 12.862,80 0.776,81 1.523,82 40.285,83 12.444,84 54.406,85 13.25,86 0.549,87 1.445,88 21.81,89 9.426,90 54.906,91 9.586,92 0.988,93 1.543,94 33.94,95 11.787,96 130.451,97 10.386,98 0.775,99 1.39,100 39.717,101 12.966,102 74.617,103 12.23,104 29,105 47,106 0.33,107 0.686,108 0.833,109 0.849,110 0.849,111 0.849,112 3.441,113 1.04,114 -5.06,115 -4.96,116 -4.65,119 38.8,120 1,125 6,142 3,143 2,144 1,147 1,152 1,158 2,159 1,162 1,167 1,170 1,172 5,174 4,175 5,178 1,183 7,184 1,186 1,187 6,192 1,195 7,198 4,199 6,200 2,207 3,211 5,212 7,215 2,220 4,224 7,225 2,232 4,233 1,236 3,237 9,240 2,242 1,245 4,246 3,249 2,250 7,251 1,255 3,258 2,259 2,262 1,263 8,266 1,268 2,272 2,275 1616,276 20.068,277 20.068,278 20.068,279 20.068,280 20.068,281 18.185,282 27.173,283 11.778,284 20.975,285 16.282,286 16.282,287 16.282,288 16.282,289 16.282,290 13.295,291 37.501,292 5.623,293 17.88,294 3.662,295 1.553,296 0.684,297 0.587,298 0.587,299 0.587,300 4.134,301 1,304 1,305 1,306 612,307 3.317,310 63.611,311 260.859,314 119.6,318 1.529,319 40.012,322 1,323 0.83,324 1,325 1,326 0.5,327 0.83,328 1,329 0.88,330 66.333,331 287,332 4.584,333 4.579,334 6.858,335 4.192,336 3.281,337 4.203,338 3.889,339 11.456,340 2.997,341 4.314,342 3.732,343 6.347,344 3.906,345 2.949,346 3.977,347 2.345,348 9.495,349 2.815,350 3.988,351 3.514,352 6.14,353 3.65,354 2.766,355 3.303,356 1.137,357 9.008,358 2.444,359 3.656,360 3.301,361 5.871,362 3.339,363 2.423,364 2.828,365 0.915,366 7.942,367 2.205,368 3.52,369 3.144,370 5.289,371 3.179,372 2.216,373 2.686,374 0.86,375 6.41,376 2.111,377 3.435,378 2.953,379 5.014,380 2.993,381 2.06,382 2.608,383 0.8,384 5.583,385 1.88,386 3.245,387 2.587,388 4.645,389 2.822,390 1.904,391 2.46,392 0.417,393 5.105,394 1.675,395 2.869,396 2.463,397 4.419,398 2.556,399 1.69,400 2.029,401 0.043,402 4.293,403 1.447,404 2.863,405 2.242,406 3.913,407 2.414,408 1.414,409 1.904,411 3.186,412 1.414,413 2.353,414 1.754,415 3.796,416 1.972,417 1.133,418 1.268,420 2.772,421 0.946,422 2.178,423 1.526,424 3.751,425 1.952,426 1,427 1.078,428 2.268,429 0.935,430 2.019,431 1.256,432 3.472,433 1.717,434 0.842,435 1,436 2.168,437 0.714,438 2,439 1.254,440 3.247,441 1.606,442 0.755,443 0.925,445 2.136,446 0.624,447 1.747,448 1.098,449 2.953,450 1.275,451 0.402,452 0.473,454 0.925,455 0.331,456 1.402,457 1.047,458 2.761,459 1.028,460 0.12,461 0.147,463 0.282,464 0.098,465 14.814,466 0.494,467 0.822,468 0.027,469 36,470 1.2,471 15.5,472 0.517,473 20.5,474 0.683,475 31.019,476 1.034,477 32.586,478 0.665,479 26.814,480 0.894,481 6.751,482 0.225,483 7.685,484 0.256,485 0.149,487 0.358,493 0.784,494 1.343,495 0.63,496 0.89,497 0.639,498 0.861,499 0.783,500 1.029,501 0.794,502 0.889,503 0.47,504 0.786,505 0.964,506 1.212,507 0.861,508 0.964,509 0.87,510 0.936,511 0.724,512 1.133,513 1.312,514 1.233,515 0.593,516 1.11,517 0.526,518 0.942,519 1.01,520 1.019,521 0.516,522 0.926,523 1.078,524 1.071,525 0.745,526 0.813,527 1.13,528 0.813,529 1.151,530 1.059,531 1.197,532 1.139,533 1.297,534 1.098,535 1.087,536 1.154,537 1.21,538 1.324,539 1.252,540 1.18,541 6,542 0.144,543 3.778,544 1.91,545 2.055,546 1.247,547 0.993,548 0.74,549 0.484,550 0.254,551 10532,552 37493,553 2.067,554 38.8,555 3,556 15,559 1,564 1.738,565 1.915,566 3.231,567 -0.217,573 95.7,574 1.953,575 4.061,576 4.931,577 5.028,578 5.028,579 5.028,580 2.674,581 4.574,582 4.875,583 3.418,584 1486.9,585 8.56,586 20270.5,591 275.121,592 1.475,593 4.828,594 0.182,595 0.006,596 0.08,597 0.039,598 0.045,599 0.027,600 0.019,601 0.015,602 0.012,603 0.008,604 0.432,605 0.17,606 0.88,607 1.085,608 151.17,609 -0.091,610 -0.225,611 0.034,613 -0.055,614 -0.002,615 0.072,616 0.088,617 0.074,618 0.086,619 0.149,620 0.122,621 -0.087,622 -0.162,623 0.071,624 0.018,625 -0.089,626 0.006,627 -0.018,628 -0.022,629 -0.172,630 -0.135,631 -0.001,632 -0.114,633 0.205,634 0.128,635 0.037,636 0.038,637 0.098,638 0.084,639 -0.188,640 0.008,641 0.025,642 0.083,643 -0.131,644 0.078,645 -0.037,646 0.057,647 -0.164,648 -0.067,649 0.064,650 -0.205,651 -0.049,652 -0.147,653 -0.094,654 -0.193,655 -0.055,656 -0.18,657 2.646,658 5.687,659 0.7,660 29.067,661 1.026,662 1.121,663 3.832,664 14.682,665 0.716,666 3.526,667 3.871,668 4.159,669 4.443,670 4.727,671 4.898,672 5.075,673 5.257,674 5.38,675 5.416,676 6.121,677 0.681,678 467.01,679 3.526,680 5.081,681 5.943,682 6.834,683 7.722,684 8.624,685 9.525,686 10.434,687 11.342,688 12.256,689 8.2,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 1,731 49,733 14,734 1,735 33,737 52,738 19,739 9,740 3,741 3,742 2,746 4,747 5,748 1,752 1,761 12,762 7,766 3,771 2,774 1,775 3,781 19,782 8,783 1,784 11,785 3,790 4,794 0.75,795 4,811 1,812 3,815 1,828 1,838 1,839 1,840 3,841 1,842 2,844 1,845 1,848 30,853 1,854 6,856 1,857 1,859 2,863 1,869 1,870 8.2,872 1,873 2,874 1,877 15.667,878 9.226,879 6.528,880 2.833,881 2.411,882 1.309,883 0.964,884 6.749,885 10.222,886 3.75,887 4.314,888 4.841,889 5.375,890 5.839,891 6.168,892 6.494,893 6.871,894 7.189,895 7.405,896 1,897 49,898 11.145,900 4.833,901 7.943,902 20.937,904 17.281,905 2.443,906 73.278,910 211.88,911 137.519,912 39.82,913 39.149,914 103.973,916 63.497,917 74.022,918 355.002,919 39.82,920 8.825,921 16.402,922 28.429,923 126.373,924 33.407,925 4.379,926 275.377,927 39.149,928 211.88,929 113.842,930 103.973,931 102.646,933 211.88,934 92.973,935 11,937 42.513,938 54.543,939 55.934,940 63.497,941 211.88,942 143.793,943 176.668,946 211.88,947 100.265,948 43.503,950 176.693,951 211.88,952 143.793,953 176.668,955 0.586,956 0.337,957 0.179,958 0.105,959 23,960 11,961 0.115,962 6,963 1,964 1.095,965 3.986,966 279.143,967 0.095,968 21,969 143.207,970 2,974 21.715,975 9.324,976 4.732,978 143.793,979 5.632,980 4.751,983 1.307,984 4.217,986 42.683,987 532.34,988 41.5,993 23.802,996 4.181,997 -1.047,999 50.262,1000 54.936,1001 0.348,1002 0.723,1003 0.878,1004 0.895,1005 0.895,1006 0.895,1007 5.016,1008 1.69,1009 5.943,1010 5.105,1011 4.554,1012 5.001,1013 3.828,1014 6.781,1015 4.374,1016 6.217,1017 1.414,1018 7.521,1019 4.293,1020 4.205,1021 4.868,1022 2.807,1023 7.732,1024 3.956,1025 7.53,1026 1.133,1027 9.201,1028 3.186,1029 6.172,1030 7.129,1031 6.144,1032 10.862,1033 5.833,1034 8.876,1035 1,1036 10.94,1037 2.772,1038 6.635,1039 7.814,1040 5.46,1041 12.642,1042 6.217,1043 10.255,1044 0.842,1045 12.717,1046 2.268,1047 8.09,1048 9.577,1049 8.75,1050 15.3,1051 7.596,1052 11.656,1053 0.755,1054 14.521,1055 2.168,1056 8.923,1057 10.639,1058 8.271,1059 17.427,1060 8.344,1061 13.076,1062 0.402,1063 16.343,1064 2.136,1065 10.185,1066 12.205,1067 11.409,1068 19.923,1069 9.533,1070 3.281,1071 0.12,1072 18.179,1073 0.925,1074 11.193,1075 13.449,1076 11.131,1077 22.207,1078 10.453,1079 2.949,1080 11.456,1081 20.027,1082 0.282,1083 12.382,1084 14.932,1085 14.083,1086 24.649,1087 11.567,1088 2.766,1089 9.495,1090 21.884,1091 4.203,1092 13.472,1093 16.264,1094 13.986,1095 27.007,1096 12.569,1097 2.423,1098 9.008,1099 23.748,1100 3.977,1101 14.637,1102 17.711,1103 16.763,1104 29.432,1105 13.656,1106 2.216,1107 7.942,1108 25.618,1109 3.303,1110 15.766,1111 19.087,1112 16.823,1113 31.826,1114 14.697,1115 2.06,1116 6.41,1117 27.493,1118 2.828,1119 16.927,1120 20.518,1121 19.447,1122 34.25,1123 15.775,1124 1.904,1125 5.583,1126 29.373,1127 2.686,1128 18.076,1129 21.916,1130 19.641,1131 36.663,1132 16.836,1133 10199,1134 19401,1135 21.789,1136 35.085,1137 50.62,1138 54.341,1139 51.675,1140 49.931,1141 49.911,1142 61.78,1143 20.81,1144 146.057,1145 45.27,1146 5.584,1147 6.579,1148 6.66,1149 5.355,1150 5.281,1151 7.203,1152 7.611,1153 18.977,1154 4.997,1155 15.965,1156 1.534,1157 1.647,1158 1.566,1159 1.513,1160 1.512,1161 1.872,1162 0.631,1163 4.426,1164 1.372,1165 4.018,1166 4.046,1167 4.285,1168 3.949,1169 7.474,1170 3.928,1171 3.893,1172 3.916,1173 4.02,1174 3.85,1175 7.431,1176 3.816,1177 3.72,1178 3.766,1179 3.898,1180 3.527,1181 6.351,1182 3.526,1183 3.54,1184 3.539,1185 3.594,1186 3.431,1187 4.934,1188 3.377,1189 3.277,1190 3.311,1191 3.415,1192 3.117,1193 4.83,1194 3.11,1195 3.179,1196 3.257,1197 3.308,1198 3.024,1199 4.598,1200 3.006,1201 3.157,1202 3.206,1203 3.053,1204 2.95,1205 4.388,1206 2.968,1207 3.111,1208 3.202,1209 3.006,1210 2.941,1211 4.311,1212 2.91,1213 0.139,1214 0.139,1215 0.208,1216 0.127,1217 0.099,1218 4.584,1219 0.127,1220 4.579,1221 0.118,1222 6.858,1223 0.347,1224 4.192,1225 0.091,1226 3.281,1227 4.203,1228 3.889,1229 11.456,1230 2.997,1231 1.936,1232 1.913,1233 2.031,1234 2.018,1235 1.222,1236 2.028,1237 1.708,1238 1.663,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.664,1244 1.639,1245 1.661,1246 1.825,1247 0.888,1248 1.804,1249 1.394,1250 1.389,1251 1.552,1252 1.638,1253 0.825,1254 1.61,1255 1.216,1256 1.185,1257 1.528,1258 1.418,1259 0.756,1260 1.469,1261 1.195,1262 1.127,1263 1.513,1264 1.381,1265 0.606,1266 1.429,1267 1.153,1268 1.064,1269 1.324,1270 1.376,1271 0.55,1272 1.381,1273 1.06,1274 1.015,1275 1.147,1276 1.283,1277 0.336,1278 1.278,1279 4.205,1281 5.541,1282 2.398,1283 7.071,1284 4.727,1285 8.694,1286 6.88,1287 10.37,1289 1.926,1290 6.282,1294 9.107,1295 2.807,1297 5.404,1298 1.009,1300 3.899,1305 33.361,1306 95.7,1307 199.008,1308 241.611,1309 246.366,1310 246.366,1311 246.366,1312 60.973,1313 7.81,1314 97.55,1315 151.09,1316 23,1317 12.77,1318 3.907,1319 3.248,1320 46.525,1321 104,1322 117,1323 0.211,1324 213.789,1325 376.29,1326 513.405,1327 24860,1328 2,1329 21.25,1330 0.708,1331 0.617,1332 22.457,1333 18.519,1334 14.436,1335 0.437,1336 0.347,1337 9.286,1338 12.642,1339 8.881,1340 7.249,1341 15.587,1342 11.444,1343 13.328,1344 0.284,1345 0.193,1346 14.866,1347 9.068,1348 11.142,1349 0.177,1350 0.115,1351 13.232,1352 7.255,1353 9.08,1354 0.108,1355 0.061,1356 10.945,1357 5.082,1358 7.617,1359 0.068,1360 0.032,1361 9.381,1362 3.638,1363 0.32,1364 103.073,1365 0.214,1366 27.745,1367 0.615,1368 160,1369 551.861,1370 244.607,1371 590.099,1372 780.05,1373 550,1374 190,1375 503.574,1376 267.717,1377 542.748,1378 806.65,1379 508,1380 6.398}
{0 CHEMBL2089120,1 1.865,2 9.308,3 3.826,4 14.634,5 104.471,6 8.907,7 0.379,8 3.92,9 4.03,10 3.68,11 3.476,12 5.03,13 3.452,14 4.474,15 4.639,16 4.122,17 3.884,18 5.583,19 3.841,20 4.659,21 4.833,22 4.237,23 4.027,24 5.723,25 3.959,26 4.746,27 4.942,28 4.132,29 4.062,30 5.894,31 3.936,32 4.715,33 4.946,34 4.01,35 3.938,36 5.721,37 3.823,38 4.502,39 4.669,40 4.017,41 3.875,42 5.649,43 3.824,44 4.621,45 4.804,46 4.084,47 3.891,48 5.857,49 3.819,50 4.594,51 4.811,52 3.853,53 3.746,54 5.751,55 3.598,56 0.094,57 0.705,58 7.31,59 3.864,60 9.297,61 4.468,62 0.446,63 1.147,64 18.137,65 6.714,66 28.411,67 7.965,68 0.446,69 1.322,70 24.105,71 8.34,72 26.202,73 9.959,74 0.574,75 1.41,76 32.556,77 10.396,78 58.397,79 12.204,80 0.628,81 1.317,82 37.643,83 10.215,84 45.712,85 12.236,86 0.322,87 1.157,88 18.475,89 7.029,90 26.197,91 8.129,92 0.594,93 1.201,94 22.68,95 7.113,96 59.538,97 8.097,98 0.637,99 1.012,100 33.805,101 9.224,102 68.05,103 10.31,104 17,105 42,106 0.323,107 0.688,108 0.814,109 0.833,110 0.833,111 0.833,112 3.305,113 0.98,114 -5.02,115 -4.92,116 -4.61,119 38.6,120 1,125 5,142 3,143 2,144 1,147 1,152 1,158 1,159 1,162 1,163 1,164 1,165 1,172 5,174 4,175 3,177 2,178 2,183 7,186 1,187 5,195 7,198 4,199 4,201 2,202 2,204 1,207 2,209 1,211 3,212 7,217 3,220 1,222 3,224 6,226 1,227 1,229 2,232 2,234 2,236 1,237 8,242 2,245 2,247 2,249 2,250 4,258 2,263 5,265 1,266 1,275 972,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.77,282 25.886,283 10.14,284 18.254,285 14.289,286 14.289,287 14.289,288 14.289,289 14.289,290 11.616,291 38.003,292 4.813,293 15.613,294 3.594,295 1.491,296 0.762,297 0.654,298 0.654,299 0.654,300 3.999,301 1,304 1,305 1,306 526,307 2.449,310 50.243,311 218.771,314 97.203,318 1.485,319 28.418,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.833,331 242,332 4.578,333 3.733,334 6.841,335 4.189,336 3.271,337 4.201,338 1.4,339 11.366,340 3.008,341 4.314,342 3.318,343 6.346,344 3.906,345 2.949,346 3.977,347 0.971,348 9.484,349 2.815,350 3.962,351 3.15,352 6.12,353 3.644,354 2.75,355 3.271,356 0.86,357 8.929,358 2.448,359 3.605,360 3.079,361 5.828,362 3.307,363 2.371,364 2.774,365 0.8,366 7.736,367 2.205,368 3.439,369 2.536,370 5.185,371 3.004,372 2.076,373 2.618,374 0.589,375 6.077,376 1.91,377 3.243,378 2.452,379 5.009,380 2.821,381 1.901,382 2.459,383 0.074,384 5.561,385 1.679,386 2.867,387 2.215,388 4.404,389 2.549,390 1.677,391 2.029,393 4.233,394 1.448,395 2.858,396 1.649,397 3.895,398 2.414,399 1.414,400 1.896,402 3.185,403 1.414,404 2.318,405 1.518,406 3.758,407 1.952,408 1.085,409 1.22,411 2.653,412 0.946,413 2.178,414 1.256,415 3.631,416 1.936,417 1,418 1.067,420 2.236,421 0.913,422 2,423 1.252,424 3.456,425 1.639,426 0.764,427 1,428 2.136,429 0.641,430 1.986,431 1.093,432 3.247,433 1.604,434 0.696,435 0.83,436 1.835,437 0.619,438 1.402,439 0.703,440 2.842,441 1.07,442 0.168,443 0.195,445 0.392,446 0.134,447 1.037,448 0.334,449 2.594,450 0.582,451 -0.334,452 -0.425,454 -0.807,455 -0.274,456 0.786,457 -0.012,458 2.403,459 0.425,460 -0.536,461 -0.662,463 -1.281,464 -0.502,465 12.714,466 0.489,467 0.716,468 0.028,469 32.25,470 1.24,471 14,472 0.538,473 18.25,474 0.702,475 24.157,476 0.929,477 28.086,478 0.638,479 22.662,480 0.872,481 6.255,482 0.241,483 6.287,484 0.242,485 0.153,487 0.378,493 0.818,494 1.415,495 0.617,496 0.933,497 0.687,498 0.873,499 0.91,500 0.867,501 0.674,502 0.739,503 0.563,504 0.727,505 0.987,506 1.244,507 0.849,508 0.974,509 0.775,510 0.937,511 0.795,512 1.107,513 1.291,514 1.237,515 0.816,516 1.179,517 0.784,518 1.016,519 1.157,520 1.158,521 0.857,522 0.934,523 1.055,524 1.243,525 0.86,526 1,527 1.14,528 0.977,529 1.312,530 1.027,531 1.034,532 0.957,533 1.658,534 1.064,535 1.262,536 0.987,537 1.223,538 1.141,539 1.712,540 1.133,541 5,542 0.066,543 3.556,544 1.91,545 1.855,546 1.046,547 0.693,548 0.512,549 0.29,550 0.12,551 7476,552 23368,553 2.101,554 40.9,555 3,556 13,559 2,564 1.696,565 1.95,566 3.216,567 0.365,569 1,573 82.06,574 1.865,575 3.968,576 4.698,577 4.806,578 4.806,579 4.806,580 2.676,581 4.133,582 4.672,583 3.347,584 1087.71,585 8.124,586 13136.4,588 1,590 1,591 240.215,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.043,598 0.048,599 0.029,600 0.018,601 0.015,602 0.012,603 0.008,604 0.435,605 0.33,606 1,607 0.596,608 124.886,609 -0.093,610 -0.235,611 0.037,612 -0.027,613 -0.081,614 0.002,615 0.056,616 0.241,617 0.127,618 0.194,619 0.095,620 0.172,621 -0.074,622 -0.183,623 0.055,624 -0.008,625 -0.028,626 -0.002,627 0.045,628 -0.044,629 -0.194,630 -0.173,631 0.083,632 -0.203,633 0.072,634 -0.006,635 -0.041,636 -0.052,637 -0.008,638 0.087,639 -0.162,640 -0.139,641 -0.079,642 -0.079,643 -0.102,644 -0.079,645 -0.186,646 0.06,647 -0.133,648 -0.062,649 -0.195,650 -0.194,651 -0.061,652 -0.065,653 -0.08,654 -0.078,655 -0.121,656 -0.132,657 2.006,658 5.323,659 0.808,660 21.538,661 1.017,662 1.129,663 3.792,664 14.377,665 0.699,666 3.401,667 3.761,668 4.078,669 4.357,670 4.615,671 4.754,672 4.883,673 5.043,674 5.136,675 5.147,676 5.658,677 0.665,678 391.92,679 3.401,680 4.963,681 5.838,682 6.735,683 7.629,684 8.534,685 9.437,686 10.346,687 11.254,688 12.166,689 11.4,690 1,695 2,698 1,699 1,704 3,705 1,708 1,709 6,711 11,726 2,730 1,731 44,733 13,734 1,735 29,737 47,738 17,739 9,740 3,741 3,742 2,746 4,747 5,748 1,750 1,752 1,761 11,762 6,766 2,771 1,774 1,775 2,778 1,781 18,782 7,783 2,784 9,785 2,790 5,794 0.75,795 2,811 1,812 3,815 1,833 1,839 1,840 3,842 1,844 1,845 1,848 26,849 1,854 5,856 1,859 2,863 1,869 1,870 4.5,873 1,874 1,877 13.333,878 8.276,879 5.611,880 2.575,881 2.41,882 1.318,883 1.006,884 4.969,885 9.991,886 3.624,887 4.216,888 4.784,889 5.328,890 5.77,891 6.087,892 6.371,893 6.733,894 7.018,895 7.205,896 1,897 44,898 9.622,900 4.167,901 7.78,902 18.321,904 15.252,905 2.28,906 59.278,909 1,910 188.338,911 104.696,912 72.717,913 39.149,914 36.145,916 31.278,917 73.418,918 263.631,919 72.717,920 8.825,921 48.399,922 28.429,923 57.635,924 33.407,925 5.585,926 219.615,927 39.149,928 188.338,929 146.135,930 36.145,931 70.426,933 188.338,934 25.145,935 11,937 74.511,938 54.839,939 55.934,940 31.278,941 188.338,942 108.862,943 143.845,946 188.338,947 67.442,948 43.503,950 141.762,951 188.338,952 108.862,953 143.845,955 0.592,956 0.357,957 0.19,958 0.105,959 22,960 10,961 0.064,962 3,963 1,964 1.095,965 3.701,966 231.105,967 0.095,968 21,969 118.211,970 1,974 17.86,975 7.234,976 3.399,978 108.862,979 5.733,980 4.705,983 1.353,984 4.553,986 32.897,987 441.044,988 36.5,993 12.323,996 3.988,997 -0.186,999 44.749,1000 49.681,1001 0.342,1002 0.727,1003 0.861,1004 0.88,1005 0.88,1006 0.88,1007 4.896,1008 1.414,1009 5.844,1010 4.233,1011 4.443,1012 4.902,1013 2.235,1014 6.698,1015 4.274,1016 6.105,1017 1.085,1018 7.434,1019 3.185,1020 4.111,1021 4.771,1022 0.968,1023 7.667,1024 3.86,1025 7.425,1026 1,1027 9.126,1028 2.653,1029 6.08,1030 7.061,1031 2.327,1032 10.804,1033 5.762,1034 8.779,1035 0.764,1036 10.875,1037 2.236,1038 6.567,1039 7.756,1040 1.474,1041 12.586,1042 6.162,1043 10.167,1044 0.696,1045 12.66,1046 2.136,1047 8.021,1048 9.534,1049 2.666,1050 15.245,1051 7.556,1052 11.578,1053 0.168,1054 14.47,1055 1.835,1056 8.872,1057 10.605,1058 2.069,1059 17.367,1060 8.321,1061 13.006,1062 -0.334,1063 16.296,1064 0.392,1065 10.132,1066 12.179,1067 3.141,1068 19.861,1069 9.518,1070 3.271,1071 -0.536,1072 18.136,1073 -0.807,1074 11.15,1075 13.428,1076 2.744,1077 22.137,1078 10.451,1079 2.949,1080 11.366,1081 19.986,1082 -1.281,1083 12.338,1084 14.915,1085 3.691,1086 24.573,1087 11.572,1088 2.75,1089 9.484,1090 21.844,1091 4.201,1092 13.432,1093 16.25,1094 3.453,1095 26.923,1096 12.582,1097 2.371,1098 8.929,1099 23.708,1100 3.977,1101 14.597,1102 17.699,1103 4.283,1104 29.342,1105 13.674,1106 2.076,1107 7.736,1108 25.578,1109 3.271,1110 15.726,1111 19.076,1112 4.171,1113 31.728,1114 14.722,1115 1.901,1116 6.077,1117 27.453,1118 2.774,1119 16.886,1120 20.508,1121 4.9,1122 34.144,1123 15.805,1124 1.677,1125 5.561,1126 29.332,1127 2.618,1128 18.034,1129 21.906,1130 4.885,1131 36.549,1132 16.87,1133 7136,1134 12755,1135 19.304,1136 30.773,1137 44.776,1138 45.916,1139 45.926,1140 44.308,1141 44.244,1142 55.072,1143 9.389,1144 131.642,1145 40.361,1146 5.578,1147 5.733,1148 6.643,1149 5.334,1150 5.271,1151 7.201,1152 2.642,1153 18.864,1154 5.008,1155 12.672,1156 1.544,1157 1.583,1158 1.584,1159 1.528,1160 1.526,1161 1.899,1162 0.324,1163 4.539,1164 1.392,1165 4.019,1166 4.05,1167 4.275,1168 3.943,1169 7.431,1170 3.926,1171 3.893,1172 3.917,1173 4.018,1174 3.848,1175 5.127,1176 3.814,1177 3.721,1178 3.774,1179 3.63,1180 3.498,1181 4.923,1182 3.518,1183 3.356,1184 3.411,1185 3.498,1186 3.193,1187 4.776,1188 3.178,1189 3.184,1190 3.259,1191 3.333,1192 3.029,1193 4.578,1194 3.014,1195 3.158,1196 3.222,1197 3.041,1198 2.972,1199 4.335,1200 2.976,1201 3.111,1202 3.206,1203 2.935,1204 2.941,1205 4.046,1206 2.91,1207 2.935,1208 3,1209 2.866,1210 2.648,1211 3.893,1212 2.683,1213 0.158,1214 0.129,1215 0.236,1216 0.144,1217 0.113,1218 4.578,1219 0.145,1220 3.733,1221 0.048,1222 6.841,1223 0.392,1224 4.189,1225 0.104,1226 3.271,1227 4.201,1228 1.4,1229 11.366,1230 3.008,1231 1.936,1232 1.913,1233 2.032,1234 2.026,1235 1.221,1236 2.031,1237 1.708,1238 1.659,1239 1.911,1240 1.95,1241 1.199,1242 1.944,1243 1.661,1244 1.628,1245 1.696,1246 1.86,1247 0.835,1248 1.827,1249 1.217,1250 1.192,1251 1.552,1252 1.418,1253 0.825,1254 1.469,1255 1.197,1256 1.127,1257 1.513,1258 1.387,1259 0.606,1260 1.429,1261 1.153,1262 1.064,1263 1.35,1264 1.376,1265 0.551,1266 1.384,1267 1.061,1268 1.015,1269 1.193,1270 1.312,1271 0.338,1272 1.296,1273 0.99,1274 0.908,1275 1.139,1276 1.272,1277 0.08,1278 1.278,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.727,1285 8.612,1286 6.88,1287 10.3,1289 1.96,1290 6.231,1293 6.061,1295 3.271,1297 5.389,1300 3.897,1305 29.239,1306 82.06,1307 174.599,1308 206.705,1309 211.46,1310 211.46,1311 211.46,1312 41.696,1313 7.581,1314 86.27,1315 114.51,1316 23,1317 12.681,1318 3.807,1319 3.087,1320 37.806,1321 87,1322 89,1323 0.214,1324 185.203,1325 319.24,1326 443.654,1327 19319,1328 2.3,1329 18.259,1330 0.702,1331 0.608,1332 19.112,1333 15.809,1334 12.542,1335 0.432,1336 0.327,1337 8.233,1338 11.286,1339 7.942,1340 6.495,1341 13.239,1342 9.473,1343 11.574,1344 0.276,1345 0.179,1346 12.561,1347 7.519,1348 10.222,1349 0.176,1350 0.104,1351 11.519,1352 6.033,1353 8.422,1354 0.109,1355 0.054,1356 9.58,1357 4.187,1358 6.787,1359 0.068,1360 0.029,1361 7.845,1362 2.863,1363 0.327,1364 86.303,1365 0.228,1366 24.621,1367 0.62,1368 142,1369 442.428,1370 199.922,1371 472.455,1372 637.57,1373 442,1374 171,1375 431.695,1376 225.572,1377 459.985,1378 685.93,1379 432,1380 6.602}
{0 CHEMBL209159,1 2.04,2 8.864,3 3.849,4 14.816,5 82.196,6 11.702,7 0.458,8 3.543,9 3.585,10 3.55,11 3.264,12 4.955,13 3.235,14 3.978,15 4.021,16 4.032,17 3.649,18 5.51,19 3.607,20 4.17,21 4.249,22 3.934,23 3.608,24 5.811,25 3.573,26 4.081,27 4.171,28 3.98,29 3.543,30 5.854,31 3.481,32 4.025,33 4.126,34 3.942,35 3.467,36 5.642,37 3.413,38 3.907,39 4.034,40 3.485,41 3.196,42 5.457,43 3.191,44 3.666,45 3.821,46 3.16,47 2.932,48 5.137,49 2.907,50 3.481,51 3.589,52 3.287,53 2.841,54 5.031,55 2.848,56 0.244,57 0.508,58 0.855,59 2.523,60 40.61,61 1.766,62 0.377,63 0.829,64 1.734,65 4.302,66 58.21,67 3.135,68 0.716,69 1.013,70 12.06,71 6.758,72 137.715,73 4.527,74 0.744,75 1.038,76 9.371,77 6.054,78 139.791,79 4.007,80 0.57,81 0.933,82 11.923,83 6.268,84 107.394,85 4.547,86 0.555,87 0.795,88 9.585,89 4.958,90 95.283,91 3.557,92 0.479,93 0.551,94 5.771,95 3.533,96 82.35,97 3.031,98 0.36,99 0.498,100 6.177,101 3.227,102 68.57,103 2.313,104 26,105 35,106 0.385,107 0.736,108 0.838,109 0.903,110 0.916,111 0.916,112 3.147,113 0.95,114 -3.69,115 -3.66,116 -3.48,119 48.3,135 1,138 1,142 4,143 1,144 3,152 2,158 1,159 1,172 2,175 1,178 2,180 2,183 8,187 2,192 3,195 5,198 1,199 1,204 2,207 4,212 2,217 3,220 4,224 3,229 2,232 2,237 2,242 1,245 2,250 2,255 2,263 1,266 1,267 1,271 1,275 584,276 14.326,277 14.326,278 14.326,279 14.326,280 14.326,281 12.459,282 9.31,283 8.177,284 14.851,285 11.823,286 11.823,287 11.823,288 11.823,289 11.823,290 8.898,291 6.353,292 3.909,293 12.755,294 2.818,295 0.952,296 0.414,297 0.069,300 3.817,304 1,305 1,306 414,307 2.345,310 121.556,311 73.448,318 1.446,319 45.694,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50.5,331 195,332 4.497,333 4.802,334 6.618,335 4.075,336 3.126,337 4.216,338 4.337,339 10.483,340 2.961,341 4.271,342 3.599,343 6.151,344 3.875,345 2.938,346 3.76,347 1.058,348 9.098,349 2.737,350 3.984,351 3.357,352 5.71,353 3.508,354 2.599,355 3.451,356 0.508,357 7.711,358 2.342,359 3.496,360 3.115,361 5.225,362 3.079,363 2.135,364 2.792,366 6.39,367 1.993,368 3.416,369 2.771,370 4.971,371 2.979,372 2.06,373 2.693,375 5.73,376 1.865,377 3.285,378 2.701,379 4.761,380 2.816,381 1.838,382 2.448,384 5.107,385 1.75,386 2.876,387 2.259,388 4.385,389 2.35,390 1.398,391 1.924,393 3.942,394 1.307,395 2.569,396 1.661,397 4.091,398 2.063,399 1.158,400 1.515,402 3.317,403 1.02,404 2.182,405 1.494,406 3.289,407 1.611,408 0.712,409 1.032,411 1.72,412 0.623,413 1.542,414 0.941,415 3.036,416 1.166,417 0.315,418 0.371,420 0.761,421 0.262,422 1.181,423 0.8,424 2.791,425 0.727,426 -0.166,427 -0.213,428 -0.484,429 -0.145,430 1,431 0.653,432 2.662,433 0.491,434 -0.453,435 -0.576,436 -1.176,437 -0.395,438 0.91,439 0.242,440 2.099,441 0.458,442 -0.595,443 -0.848,445 -1.364,446 -0.611,447 0.472,448 0.181,449 2,450 0.091,451 -0.77,452 -0.922,454 -1.967,455 -0.658,456 0.369,457 -0.326,458 1.846,459 0.025,460 -0.947,461 -1.198,463 -2.501,464 -0.898,465 10.638,466 0.484,467 0.736,468 0.033,469 28.75,470 1.307,471 15,472 0.682,473 13.75,474 0.625,475 16.237,476 0.738,477 22.962,478 0.792,479 20.636,480 0.938,481 5.71,482 0.26,483 4.725,484 0.215,485 0.148,487 0.423,491 2,493 0.675,494 0.689,495 0.693,496 0.64,497 0.627,498 0.604,499 0.587,500 0.871,501 0.783,502 0.927,503 0.617,504 0.845,505 1.051,506 1.037,507 1.383,508 1.245,509 1.045,510 1.193,511 0.862,512 0.865,513 0.91,514 0.909,515 0.808,516 1.035,517 0.779,518 1.06,519 1.088,520 1.251,521 0.79,522 1.061,523 1.211,524 1.163,525 1.214,526 1.148,527 1.149,528 1.236,529 1.129,530 0.819,531 0.816,532 0.69,533 1.1,534 0.996,535 1.225,536 1.042,537 1.021,538 1.008,539 1.229,540 0.863,541 6,542 0.11,543 2.667,544 2.264,545 1.289,546 0.667,547 0.432,548 0.209,549 0.208,550 0.195,551 4852,552 23101,553 2.017,554 24.1,556 5,559 2,564 1.643,565 1.833,566 3.126,567 0.438,569 1,571 1,573 59.172,574 2.04,575 3.906,576 4.444,577 4.789,578 4.858,579 4.858,580 2.504,581 4.096,582 4.434,583 3.302,584 762.823,585 7.607,586 8413.03,588 1,589 1,590 1,591 140.881,592 1.544,593 4.36,594 0.25,595 0.009,596 0.076,597 0.071,598 0.044,599 0.025,600 0.021,601 0.014,602 0.013,603 0.011,604 0.534,605 0.5,606 1,607 0.688,608 101.046,609 -0.096,610 0.072,611 -0.026,612 0.154,613 -0.078,614 0.129,615 0.054,616 -0.044,617 0.055,618 -0.02,619 0.012,620 -0.051,621 -0.116,622 -0.063,623 -0.334,624 -0.202,625 -0.106,626 -0.225,627 0.07,628 0.091,629 0.104,630 0.096,631 0.1,632 -0.053,633 0.079,634 -0.141,635 0.136,636 -0.126,637 0.037,638 0.039,639 -0.233,640 -0.149,641 -0.258,642 -0.214,643 -0.191,644 -0.199,645 -0.204,646 0.014,647 0.06,648 0.147,649 -0.175,650 0.139,651 -0.231,652 -0.065,653 0.011,654 -0.007,655 -0.23,656 0.16,657 2.709,658 5.363,659 0.727,660 16.496,661 1.062,662 1.114,663 2.461,664 6.055,665 0.779,666 3.219,667 3.584,668 3.829,669 4.094,670 4.19,671 4.19,672 4.29,673 4.357,674 4.407,675 4.477,676 5.523,677 0.773,678 339.36,679 3.219,680 4.779,681 5.631,682 6.524,683 7.392,684 8.283,685 9.158,686 10.047,687 10.925,688 11.813,689 3.4,696 1,704 4,708 1,709 6,711 11,728 1,730 2,731 29,733 14,734 1,735 24,737 31,738 14,739 10,740 4,741 2,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,778 1,779 2,781 7,782 6,783 2,784 8,785 2,790 1,792 1,794 1,795 3,811 2,812 1,831 2,837 1,840 3,842 2,846 2,848 22,853 1,855 1,857 1,865 1,869 2,870 10.3,872 1,873 2,877 12,878 5.319,879 4.694,880 1.524,881 2.832,882 1.415,883 0.989,884 4.019,885 9.656,886 3.512,887 4.139,888 4.683,889 5.256,890 5.681,891 5.994,892 6.37,893 6.743,894 7.043,895 7.37,896 0.833,897 32,898 8.216,900 3.783,901 8.553,902 14.488,904 11.999,905 3.053,906 67.167,910 58.856,911 144.348,912 18.011,914 92.973,915 29.92,916 63.497,917 80.851,918 151.829,919 47.931,921 18.011,922 47.381,923 99.229,924 21.428,925 35.707,926 122.353,928 58.856,929 98.862,930 122.893,931 63.497,933 88.776,934 92.973,937 18.011,938 69.824,939 11.027,940 63.497,941 88.776,942 110.984,943 144.348,946 58.856,947 96.967,948 47.381,949 18.011,950 122.893,951 58.856,952 140.904,953 144.348,955 0.599,956 0.347,957 0.186,958 0.093,959 18,960 9,961 0.065,962 2,964 1,965 3.374,966 172.418,968 16,969 98.107,970 2,974 15.192,975 5.82,976 3.085,978 140.904,979 4.832,983 1.133,984 -1.379,986 60.694,987 344.108,988 32.5,993 22.531,995 1.506,997 -0.685,999 30.796,1000 32.307,1001 0.42,1002 0.804,1003 0.915,1004 0.986,1005 1,1006 1,1007 4.769,1008 1.158,1009 5.652,1010 3.942,1011 4.263,1012 4.824,1013 3.666,1014 6.479,1015 4.115,1016 6.012,1017 0.712,1018 7.229,1019 3.317,1020 4.007,1021 4.771,1022 2.89,1023 7.365,1024 3.78,1025 7.341,1026 0.315,1027 8.897,1028 1.72,1029 5.883,1030 7.024,1031 6.42,1032 10.458,1033 5.609,1034 8.7,1035 -0.166,1036 10.616,1037 0.761,1038 6.382,1039 7.722,1040 6.24,1041 12.134,1042 6.017,1043 10.086,1044 -0.453,1045 12.367,1046 -0.484,1047 7.78,1048 9.491,1049 9.282,1050 14.753,1051 7.385,1052 11.489,1053 -0.595,1054 14.14,1055 -1.176,1056 8.616,1057 10.542,1058 9.437,1059 16.78,1060 8.135,1061 12.907,1062 -0.77,1063 15.931,1064 -1.364,1065 9.835,1066 12.113,1067 12.158,1068 19.223,1069 9.322,1070 3.126,1071 -0.947,1072 17.736,1073 -1.967,1074 10.823,1075 13.342,1076 12.55,1077 21.412,1078 10.234,1079 2.938,1080 10.483,1081 19.552,1082 -2.501,1083 11.974,1084 14.826,1085 15.039,1086 23.787,1087 11.348,1088 2.599,1089 9.098,1090 21.378,1091 4.216,1092 13.032,1093 16.146,1094 15.615,1095 26.052,1096 12.339,1097 2.135,1098 7.711,1099 23.212,1100 3.76,1101 14.159,1102 17.593,1103 17.926,1104 28.401,1105 13.422,1106 2.06,1107 6.39,1108 25.052,1109 3.451,1110 15.249,1111 18.961,1112 18.648,1113 30.703,1114 14.452,1115 1.838,1116 5.73,1117 26.898,1118 2.792,1119 16.368,1120 20.393,1121 20.819,1122 33.044,1123 15.524,1124 1.398,1125 5.107,1126 28.749,1127 2.693,1128 17.474,1129 21.786,1130 21.659,1131 35.365,1132 16.574,1133 4781,1134 10546,1135 15.433,1136 22.585,1137 37.155,1138 40.923,1139 38.141,1140 36.547,1141 36.559,1142 48.403,1143 11.807,1144 108.52,1145 33.718,1146 5.274,1147 6.802,1148 5.854,1149 5.216,1150 5.126,1151 7.216,1152 8.335,1153 17.654,1154 4.961,1155 12.988,1156 1.548,1157 1.705,1158 1.589,1159 1.523,1160 1.523,1161 2.017,1162 0.492,1163 4.522,1164 1.405,1165 4.012,1166 4.016,1167 4.282,1168 4.025,1169 8.211,1170 3.972,1171 3.815,1172 3.824,1173 4.011,1174 3.749,1175 8.191,1176 3.734,1177 3.64,1178 3.649,1179 3.816,1180 3.576,1181 7.449,1182 3.532,1183 3.05,1184 3.074,1185 3.048,1186 2.877,1187 7.409,1188 2.894,1189 2.997,1190 3.02,1191 2.98,1192 2.741,1193 6.463,1194 2.784,1195 2.849,1196 2.869,1197 2.917,1198 2.67,1199 4.696,1200 2.685,1201 2.727,1202 2.716,1203 2.742,1204 2.491,1205 4.291,1206 2.504,1207 2.31,1208 2.356,1209 2.682,1210 2.295,1211 4.084,1212 2.105,1213 0.187,1214 0.2,1215 0.276,1216 0.17,1217 0.13,1218 4.497,1219 0.176,1220 4.802,1221 0.181,1222 6.618,1223 0.437,1224 4.075,1225 0.123,1226 3.126,1227 4.216,1228 4.337,1229 10.483,1230 2.961,1231 1.884,1232 1.875,1233 1.929,1234 1.977,1235 1.075,1236 1.963,1237 1.646,1238 1.641,1239 1.701,1240 1.731,1241 0.87,1242 1.73,1243 1.371,1244 1.35,1245 1.467,1246 1.562,1247 0.596,1248 1.531,1249 1.241,1250 1.227,1251 1.255,1252 1.413,1253 0.31,1254 1.437,1255 1.074,1256 1.107,1257 1.047,1258 1.162,1259 0.162,1260 1.16,1261 0.831,1262 0.81,1263 0.975,1264 1.121,1265 0.017,1266 1.085,1267 0.656,1268 0.624,1269 0.761,1270 0.887,1272 0.888,1273 0.31,1274 0.29,1275 0.529,1276 0.629,1278 0.622,1279 3.892,1281 5.242,1282 3.045,1283 6.756,1284 5.352,1285 8.35,1286 7.368,1287 9.99,1291 26.633,1294 9.682,1296 2.132,1298 0.78,1305 22.414,1306 59.172,1307 113.272,1308 128.881,1309 138.881,1310 140.881,1311 140.881,1312 60.732,1313 6.824,1314 70.16,1315 126.64,1316 16,1317 12.345,1318 3.907,1319 3.248,1320 34.552,1321 74,1322 65,1323 0.237,1324 142.905,1325 257.29,1326 340.449,1327 7517,1328 6.9,1329 15.853,1330 0.721,1331 0.562,1332 14.82,1333 12.356,1334 10.436,1335 0.435,1336 0.317,1337 6.002,1338 9.019,1339 5.786,1340 4.719,1341 10.448,1342 7.602,1343 10.066,1344 0.288,1345 0.185,1346 10.312,1347 6.468,1348 8.129,1349 0.181,1350 0.105,1351 8.762,1352 4.712,1353 6.814,1354 0.115,1355 0.061,1356 7.856,1357 3.595,1358 4.873,1359 0.075,1360 0.033,1361 5.592,1362 2.158,1363 0.367,1364 74.651,1365 0.255,1366 21.589,1367 0.658,1368 118,1369 547.897,1370 187.16,1371 512.989,1372 661.91,1373 472,1374 139,1375 425.709,1376 195.997,1377 448.483,1378 660.44,1379 421,1380 6.469}
{0 CHEMBL209193,1 1.769,2 9.455,3 2.915,4 8.5,5 79.393,6 10.172,7 0.44,8 3.63,9 3.672,10 3.5,11 3.237,12 4.891,13 3.255,14 4.125,15 4.176,16 3.945,17 3.604,18 5.483,19 3.622,20 4.185,21 4.276,22 3.735,23 3.556,24 5.484,25 3.548,26 4.114,27 4.22,28 3.621,29 3.448,30 5.485,31 3.435,32 4.078,33 4.223,34 3.548,35 3.389,36 5.324,37 3.34,38 3.926,39 4.046,40 3.426,41 3.216,42 5.277,43 3.212,44 3.778,45 3.913,46 3.231,47 3.094,48 5.011,49 3.053,50 3.607,51 3.737,52 3.135,53 2.995,54 4.849,55 2.921,56 0.184,57 0.401,58 2.733,59 2.784,60 11.823,61 2.188,62 0.503,63 0.663,64 7.431,65 4.805,66 26.159,67 3.627,68 0.496,69 0.687,70 11.16,71 5.823,72 39.296,73 4.613,74 0.52,75 0.637,76 8.451,77 5.02,78 51.904,79 4.279,80 0.562,81 0.638,82 11.801,83 5.432,84 39.836,85 5.614,86 0.494,87 0.54,88 8.892,89 4.283,90 33.47,91 3.98,92 0.377,93 0.467,94 7.434,95 3.782,96 32.209,97 3.295,98 0.265,99 0.417,100 8.556,101 3.719,102 22.016,103 3.292,104 5,105 36,106 0.327,107 0.694,108 0.799,109 0.88,110 0.904,111 0.904,112 3.147,113 0.87,114 -2.54,115 -2.56,116 -2.5,119 48.4,126 1,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 4,174 1,175 7,178 2,180 1,183 5,187 8,192 1,195 5,198 1,199 5,207 5,211 2,212 2,215 1,217 1,220 4,223 2,224 4,229 1,232 2,237 4,242 1,245 2,250 4,255 2,258 1,263 4,268 1,275 586,276 14.98,277 14.98,278 14.98,279 14.98,280 14.98,281 13.271,282 11.741,283 8.684,284 15.333,285 12.37,286 12.37,287 12.37,288 12.37,289 12.37,290 9.56,291 11.64,292 4.165,293 12.919,294 3.185,295 1.197,296 0.633,297 0.194,298 0.065,299 0.065,300 3.843,303 1,304 1,305 1,306 466,307 2.236,310 166.936,311 54.416,314 87.269,318 1.595,319 28.832,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 49.5,331 208,332 4.402,333 4.802,334 6.308,335 4.013,336 3.035,337 4.084,338 4.337,339 9.647,340 2.977,341 4.265,342 3.599,343 6.152,344 3.877,345 2.934,346 3.768,347 1.392,348 9.108,349 2.758,350 4.065,351 3.315,352 6.019,353 3.692,354 2.729,355 3.498,356 1.058,357 8.656,358 2.605,359 3.595,360 3.115,361 5.284,362 3.233,363 2.248,364 2.907,365 0.532,366 6.732,367 2.206,368 3.319,369 2.86,370 4.761,371 2.84,372 1.855,373 2.476,374 0.508,375 5.129,376 1.776,377 2.911,378 2.284,379 4.417,380 2.48,381 1.534,382 2.03,384 4.288,385 1.448,386 2.882,387 1.991,388 4.255,389 2.424,390 1.441,391 1.96,393 3.89,394 1.4,395 2.585,396 1.788,397 4.058,398 2.145,399 1.199,400 1.528,402 3.3,403 1.115,404 2.208,405 1.536,406 3.434,407 1.996,408 1.013,409 1.156,411 2.357,412 0.984,413 2.144,414 1.271,415 3.276,416 1.691,417 0.695,418 1.011,420 1.688,421 0.691,422 1.628,423 0.809,424 3.034,425 1.33,426 0.394,427 0.472,428 0.98,429 0.365,430 1.18,431 0.776,432 2.848,433 0.762,434 -0.165,435 -0.21,436 -0.48,437 -0.15,438 1,439 0.656,440 2.484,441 0.489,442 -0.59,443 -0.817,445 -1.359,446 -0.611,447 0.715,448 0.185,449 2.118,450 0.326,451 -0.661,452 -0.891,454 -1.782,455 -0.651,456 0.478,457 -0.413,458 2,459 0.09,460 -0.903,461 -1.177,463 -2.48,464 -0.883,465 10.4,466 0.473,467 0.571,468 0.026,469 30.5,470 1.386,471 15.5,472 0.705,473 15,474 0.682,475 14.093,476 0.641,477 22.6,478 0.729,479 20.385,480 0.927,481 6.164,482 0.28,483 4.523,484 0.206,485 0.064,487 0.385,493 0.814,494 1.019,495 0.623,496 0.855,497 0.589,498 0.734,499 0.895,500 0.947,501 0.767,502 0.923,503 0.622,504 0.81,505 1.12,506 1.072,507 1.129,508 1.154,509 1.015,510 1.123,511 0.975,512 1.006,513 0.884,514 0.98,515 0.646,516 1.136,517 0.624,518 0.873,519 0.877,520 0.903,521 0.576,522 0.991,523 0.827,524 1.001,525 0.892,526 0.938,527 0.808,528 1.002,529 1.155,530 0.867,531 0.988,532 0.818,533 1.111,534 0.988,535 0.912,536 1.15,537 1.412,538 1.247,539 0.926,540 1.128,541 5,542 0.095,543 2.444,544 1.646,545 0.858,546 0.532,547 0.349,548 0.209,549 0.139,550 0.121,551 5612,552 20591,553 2.176,554 29,556 6,557 2,559 1,564 1.64,565 2.063,566 3.231,567 -0.22,569 1,571 1,573 54.838,574 1.769,575 3.757,576 4.322,577 4.761,578 4.89,579 4.89,580 2.681,581 4.369,582 4.434,583 3.392,584 783.563,585 7.589,586 8651.41,587 1,588 1,589 1,590 1,591 153.58,592 1.322,593 4.403,594 0.2,595 0.008,596 0.068,597 0.055,598 0.033,599 0.022,600 0.016,601 0.012,602 0.009,603 0.009,604 0.432,605 0.5,606 1,607 0.517,608 101.709,609 -0.108,610 -0.055,611 0.034,612 -0.004,613 -0.083,614 0.023,615 0.035,616 0.027,617 0.066,618 0.011,619 0.016,620 0.002,621 -0.198,622 -0.159,623 -0.204,624 -0.188,625 -0.129,626 -0.177,627 -0.062,628 -0.098,629 -0.075,630 -0.108,631 0.113,632 -0.183,633 0.228,634 0.062,635 0.143,636 0.077,637 0.119,638 0.11,639 0.117,640 -0.052,641 0.009,642 -0.028,643 0.062,644 -0.006,645 -0.226,646 0.079,647 -0.023,648 0.134,649 -0.155,650 0.052,651 -0.12,652 -0.146,653 -0.14,654 -0.084,655 -0.03,656 -0.03,657 2.073,658 4.501,659 0.864,660 17.091,661 1.044,662 1.101,663 1.307,664 1.709,665 0.741,666 3.258,667 3.611,668 3.892,669 4.174,670 4.263,671 4.344,672 4.511,673 4.644,674 4.663,675 4.727,676 5.747,677 0.738,678 315.32,679 3.258,680 4.812,681 5.673,682 6.561,683 7.434,684 8.321,685 9.199,686 10.085,687 10.965,688 11.851,689 3.2,696 1,704 5,707 1,709 5,711 11,729 2,731 31,733 14,734 1,735 25,737 34,738 15,739 10,740 3,741 3,742 3,746 4,747 5,761 14,762 1,766 3,771 2,773 1,775 3,777 1,778 1,780 1,781 9,782 6,783 1,784 7,785 1,790 1,792 1,794 0.75,795 5,811 3,812 1,815 1,831 2,837 1,840 3,842 1,848 22,854 1,855 1,856 2,857 1,870 16.1,873 2,875 3,877 10.667,878 5.75,879 4.667,880 1.701,881 2.864,882 1.396,883 1.027,884 3.296,885 10.092,886 3.541,887 4.139,888 4.702,889 5.273,890 5.695,891 6.06,892 6.492,893 6.893,894 7.196,895 7.498,896 1,897 30,898 8.109,900 3.597,901 8.03,902 14.986,904 12.42,905 2.53,906 55.667,910 94.169,911 129.623,912 18.011,914 81.797,916 32.22,917 97.403,918 175.966,919 18.011,921 24.661,922 56.857,923 56.545,924 45.18,925 37.51,926 102.846,928 94.169,929 115.414,930 81.797,931 32.22,933 94.169,934 81.797,937 24.661,938 79.726,939 11.027,940 32.22,941 94.169,942 99.808,943 129.623,946 94.169,947 72.765,948 56.857,949 18.011,950 81.797,951 94.169,952 99.808,953 129.623,955 0.592,956 0.346,957 0.189,958 0.089,959 20,960 8,961 0.059,962 2,963 1,964 1.105,965 3.567,966 176.79,967 0.105,968 19,969 98.107,970 1,974 13.636,975 5.318,976 2.599,978 99.808,979 9.048,982 5.698,984 3.355,986 18.011,987 323.599,988 33.5,993 22.624,995 1.543,997 -0.466,999 32.349,1000 34.126,1001 0.357,1002 0.758,1003 0.872,1004 0.961,1005 0.987,1006 0.987,1007 4.794,1008 1.199,1009 5.666,1010 3.89,1011 4.29,1012 4.824,1013 3.773,1014 6.475,1015 4.212,1016 6.007,1017 1.013,1018 7.222,1019 3.3,1020 3.892,1021 4.649,1022 2.89,1023 7.31,1024 3.78,1025 7.32,1026 0.695,1027 8.87,1028 2.357,1029 5.889,1030 6.985,1031 6.432,1032 10.393,1033 5.736,1034 8.668,1035 0.394,1036 10.57,1037 1.688,1038 6.312,1039 7.616,1040 6.24,1041 12.04,1042 6.116,1043 10.044,1044 -0.165,1045 12.304,1046 0.98,1047 7.763,1048 9.418,1049 9.284,1050 14.597,1051 7.54,1052 11.44,1053 -0.59,1054 14.061,1055 -0.48,1056 8.55,1057 10.416,1058 9.437,1059 16.576,1060 8.281,1061 12.849,1062 -0.661,1063 15.834,1064 -1.359,1065 9.785,1066 11.995,1067 12.158,1068 18.94,1069 9.493,1070 3.035,1071 -0.903,1072 17.618,1073 -1.782,1074 10.736,1075 13.175,1076 12.55,1077 21.062,1078 10.4,1079 2.934,1080 9.647,1081 19.411,1082 -2.48,1083 11.882,1084 14.651,1085 15.039,1086 23.35,1087 11.523,1088 2.729,1089 9.108,1090 21.211,1091 4.084,1092 12.906,1093 15.924,1094 15.615,1095 25.534,1096 12.51,1097 2.248,1098 8.656,1099 23.015,1100 3.768,1101 14.017,1102 17.353,1103 17.926,1104 27.792,1105 13.596,1106 1.855,1107 6.732,1108 24.824,1109 3.498,1110 15.075,1111 18.676,1112 18.648,1113 30.006,1114 14.622,1115 1.534,1116 5.129,1117 26.636,1118 2.907,1119 16.172,1120 20.082,1121 20.819,1122 32.253,1123 15.695,1124 1.441,1125 4.288,1126 28.45,1127 2.476,1128 17.247,1129 21.434,1130 21.659,1131 34.481,1132 16.741,1133 5210,1134 10125,1135 17.107,1136 22.972,1137 38.526,1138 42.066,1139 38.638,1140 38.142,1141 38.151,1142 49.78,1143 15.653,1144 111.553,1145 36.65,1146 5.223,1147 6.802,1148 5.817,1149 5.105,1150 5.035,1151 7.084,1152 8.335,1153 16.143,1154 4.977,1155 8.393,1156 1.541,1157 1.683,1158 1.546,1159 1.526,1160 1.526,1161 1.991,1162 0.626,1163 4.462,1164 1.466,1165 4.038,1166 4.04,1167 4.089,1168 3.937,1169 7.449,1170 3.947,1171 3.841,1172 3.844,1173 3.951,1174 3.745,1175 7.409,1176 3.736,1177 3.672,1178 3.675,1179 3.717,1180 3.527,1181 5.099,1182 3.523,1183 3.261,1184 3.29,1185 3.167,1186 3.019,1187 4.951,1188 3.05,1189 3.018,1190 3.044,1191 3.019,1192 2.826,1193 4.29,1194 2.843,1195 2.845,1196 2.887,1197 2.878,1198 2.7,1199 4.112,1200 2.7,1201 2.75,1202 2.728,1203 2.716,1204 2.502,1205 3.965,1206 2.525,1207 2.542,1208 2.603,1209 2.42,1210 2.41,1211 3.626,1212 2.393,1213 0.176,1214 0.192,1215 0.252,1216 0.161,1217 0.121,1218 4.402,1219 0.163,1220 4.802,1221 0.173,1222 6.308,1223 0.386,1224 4.013,1225 0.119,1226 3.035,1227 4.084,1228 4.337,1229 9.647,1230 2.977,1231 1.879,1232 1.866,1233 1.959,1234 1.962,1235 1.089,1236 1.96,1237 1.638,1238 1.63,1239 1.716,1240 1.76,1241 0.835,1242 1.745,1243 1.357,1244 1.337,1245 1.483,1246 1.568,1247 0.582,1248 1.529,1249 1.234,1250 1.221,1251 1.435,1252 1.526,1253 0.557,1254 1.49,1255 1.157,1256 1.127,1257 1.285,1258 1.47,1259 0.202,1260 1.449,1261 1.034,1262 1.06,1263 1.091,1264 1.23,1265 0.162,1266 1.196,1267 0.794,1268 0.737,1269 1.008,1270 0.988,1271 0.12,1272 1.019,1273 0.587,1274 0.562,1275 0.75,1276 0.812,1278 0.8,1279 3.932,1281 5.273,1282 3.434,1283 6.779,1284 5.733,1285 8.361,1286 7.743,1287 9.986,1295 0.217,1296 2.199,1297 10.595,1298 0.855,1305 22.89,1306 54.838,1307 116.461,1308 133.97,1309 147.58,1310 151.58,1311 151.58,1312 32.29,1313 7.228,1314 81.53,1315 109.77,1316 21,1317 12.384,1318 3.907,1319 3.248,1320 30.088,1321 77,1322 65,1323 0.195,1324 139.569,1325 249.16,1326 332.309,1327 13217,1329 15.104,1330 0.687,1331 0.543,1332 15.458,1333 11.937,1334 10.687,1335 0.427,1336 0.29,1337 6.369,1338 9.662,1339 6.219,1340 5.086,1341 11.095,1342 7.253,1343 10.013,1344 0.278,1345 0.157,1346 10.741,1347 5.637,1348 8.499,1349 0.177,1350 0.084,1351 9.219,1352 4.01,1353 7.352,1354 0.115,1355 0.044,1356 8.12,1357 2.848,1358 5.192,1359 0.074,1360 0.023,1361 5.747,1362 1.606,1363 0.306,1364 72.398,1365 0.242,1366 21.814,1367 0.53,1368 122,1369 461.871,1370 167.286,1371 446.527,1372 603.36,1373 418,1374 145,1375 424.451,1376 183.101,1377 437.007,1378 647.51,1379 410,1380 4.699}
{0 CHEMBL210991,1 1.896,2 9.478,3 2.774,4 7.697,5 82.644,6 10.72,7 0.44,8 3.62,9 3.667,10 3.506,11 3.207,12 5.046,13 3.23,14 4.047,15 4.088,16 3.944,17 3.57,18 5.649,19 3.594,20 4.223,21 4.306,22 3.859,23 3.55,24 5.71,25 3.585,26 4.237,27 4.317,28 3.848,29 3.454,30 6.02,31 3.513,32 4.183,33 4.292,34 3.699,35 3.413,36 5.683,37 3.43,38 4.032,39 4.15,40 3.495,41 3.24,42 5.612,43 3.252,44 3.814,45 3.953,46 3.298,47 3.065,48 5.285,49 3.054,50 3.586,51 3.694,52 3.317,53 2.939,54 5.085,55 2.93,56 0.29,57 0.442,58 2.196,59 2.647,60 33.34,61 1.876,62 0.468,63 0.667,64 4.097,65 4.375,66 67.699,67 3.271,68 0.663,69 0.744,70 10.228,71 5.708,72 90.548,73 4.32,74 0.909,75 0.717,76 8.073,77 5.118,78 141.246,79 3.662,80 0.814,81 0.691,82 10.816,83 5.388,84 108.635,85 4.255,86 0.744,87 0.605,88 9.119,89 4.475,90 85.411,91 3.72,92 0.5,93 0.491,94 7.332,95 3.788,96 82.962,97 3.28,98 0.35,99 0.414,100 7.454,101 3.346,102 60.157,103 2.548,104 27,105 36,106 0.348,107 0.714,108 0.818,109 0.886,110 0.898,111 0.898,112 3.188,113 0.85,114 -2.47,115 -2.49,116 -2.44,119 45.2,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,166 2,172 4,174 1,175 6,178 2,180 2,183 5,187 7,190 1,192 3,195 4,198 1,199 8,202 3,204 2,207 4,211 2,212 5,215 1,217 2,220 4,223 3,224 5,229 2,232 3,237 5,242 1,245 2,250 4,255 2,258 1,263 3,266 1,267 1,268 1,271 1,275 684,276 15.085,277 15.085,278 15.085,279 15.085,280 15.085,281 12.992,282 10.482,283 8.669,284 15.373,285 12.307,286 12.307,287 12.307,288 12.307,289 12.307,290 9.062,291 8.467,292 4.086,293 12.76,294 3.058,295 1.068,296 0.504,297 0.129,298 0.065,299 0.065,300 3.86,303 1,304 1,305 1,306 461,307 2.828,310 128.544,311 77.962,318 1.546,319 44.278,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 53,331 218,332 4.534,333 4.802,334 6.699,335 4.124,336 3.145,337 4.276,338 4.337,339 10.724,340 3.081,341 4.288,342 3.812,343 6.156,344 3.887,345 2.943,346 3.842,347 2.612,348 9.116,349 2.778,350 4.095,351 3.599,352 6.009,353 3.662,354 2.684,355 3.542,356 1.058,357 8.457,358 2.607,359 3.715,360 3.119,361 5.352,362 3.253,363 2.269,364 3.152,365 0.508,366 6.811,367 2.227,368 3.363,369 3.074,370 4.803,371 2.855,372 1.875,373 2.543,375 5.184,376 1.791,377 3.136,378 2.564,379 4.664,380 2.608,381 1.62,382 2.297,384 4.487,385 1.59,386 2.863,387 2.005,388 4.134,389 2.392,390 1.414,391 2.016,393 3.472,394 1.376,395 2.799,396 1.546,397 3.905,398 2.211,399 1.265,400 1.786,402 3.149,403 1.176,404 2.519,405 1.533,406 3.735,407 1.994,408 1.019,409 1.456,411 2.678,412 0.979,413 2.177,414 1.271,415 3.277,416 1.687,417 0.69,418 1.02,420 1.683,421 0.687,422 1.235,423 1,424 2.872,425 0.87,426 -0.058,427 -0.072,428 -0.147,429 -0.053,430 1.152,431 0.806,432 2.531,433 0.72,434 -0.207,435 -0.268,436 -0.566,437 -0.189,438 1,439 0.73,440 2.327,441 0.487,442 -0.59,443 -0.843,445 -1.359,446 -0.608,447 1,448 0.353,449 2,450 0.357,451 -0.637,452 -0.906,454 -1.599,455 -0.64,456 0.814,457 0.16,458 1.929,459 0.072,460 -0.937,461 -1.197,463 -2,464 -0.911,465 10.633,466 0.462,467 0.72,468 0.031,469 33,470 1.435,471 18,472 0.783,473 15,474 0.652,475 14.237,476 0.619,477 24.167,478 0.78,479 24.927,480 1.084,481 6.696,482 0.291,483 4.256,484 0.185,485 0.157,487 0.414,493 0.667,494 0.855,495 0.647,496 0.709,497 0.636,498 0.668,499 0.592,500 1.116,501 0.696,502 1.084,503 0.521,504 0.944,505 1.028,506 1.105,507 1.047,508 1.179,509 0.868,510 1.096,511 0.988,512 0.972,513 0.837,514 0.925,515 0.821,516 1.054,517 1.118,518 0.844,519 1.06,520 0.876,521 1.015,522 1.005,523 0.885,524 0.965,525 1.025,526 0.895,527 0.857,528 1.104,529 1.075,530 0.919,531 0.96,532 0.868,533 1.186,534 1.025,535 1.017,536 1.109,537 1.221,538 1.195,539 1.105,540 0.935,541 5.5,542 0.12,543 2.889,544 2.451,545 1.018,546 0.872,547 0.362,548 0.322,549 0.184,550 0.179,551 5485,552 25012,553 2.016,554 25.8,556 6,559 2,564 1.656,565 1.84,566 3.222,567 0.45,569 1,571 1,573 58.767,574 1.896,575 3.886,576 4.451,577 4.825,578 4.89,579 4.89,580 2.666,581 4.089,582 4.497,583 3.39,584 857.724,585 7.734,586 9759.98,587 1,588 1,589 1,590 1,591 153.58,592 1.538,593 4.428,594 0.22,595 0.009,596 0.08,597 0.072,598 0.032,599 0.031,600 0.016,601 0.018,602 0.011,603 0.011,604 0.5,605 0.5,606 1,607 0.872,608 107.633,610 0.195,612 0.17,613 -0.078,614 0.099,615 0.135,616 -0.117,617 0.092,618 -0.122,619 0.118,620 -0.119,621 -0.149,622 -0.171,623 -0.118,624 -0.207,625 -0.093,626 -0.123,627 0.051,628 -0.058,629 -0.025,630 -0.062,631 0.125,632 -0.13,633 -0.121,634 0.073,635 -0.072,636 0.082,637 -0.151,638 0.04,639 0.067,640 -0.035,641 -0.084,642 0.014,644 -0.055,645 -0.189,646 0.001,647 0.075,648 0.094,649 -0.189,650 0.11,651 -0.163,652 -0.095,653 0.094,655 -0.15,656 0.169,657 2.699,658 4.462,659 0.696,660 18.272,661 1.061,662 1.11,663 1.236,664 1.527,665 0.731,666 3.258,667 3.611,668 3.871,669 4.127,670 4.19,671 4.22,672 4.357,673 4.431,674 4.477,675 4.511,676 5.768,677 0.745,678 332.31,679 3.258,680 4.812,681 5.666,682 6.555,683 7.425,684 8.314,685 9.189,686 10.077,687 10.956,688 11.843,689 6.5,696 1,700 1,704 5,707 1,709 5,711 11,725 1,728 1,731 31,733 16,734 1,735 25,737 33,738 14,739 10,740 3,741 3,742 3,746 3,747 3,761 14,766 5,768 1,771 4,773 1,775 3,777 1,778 1,780 1,781 8,782 7,783 2,784 9,785 1,790 2,792 1,794 1,795 6,811 2,812 1,831 2,837 1,840 3,842 1,848 23,853 1,855 1,857 1,870 19.4,872 1,873 2,875 1,876 2,877 12.5,878 5.65,879 4.972,880 1.625,881 3.019,882 1.436,883 0.954,884 4.044,885 9.935,886 3.597,887 4.216,888 4.75,889 5.32,890 5.722,891 6.071,892 6.508,893 6.864,894 7.183,895 7.467,896 1,897 34,898 8.501,900 3.833,901 8.507,902 14.972,904 12.122,905 3.007,906 69.167,910 70.627,911 115.242,912 23.681,914 153.227,916 32.22,917 83.023,918 223.854,919 23.681,920 5.67,921 18.011,922 56.857,923 99.229,924 15.45,925 13.967,926 102.846,927 50.747,928 70.627,929 106.703,930 153.227,931 32.22,933 70.627,934 102.481,935 50.747,937 18.011,938 71.996,939 16.697,940 32.22,941 70.627,942 176.908,943 115.242,946 70.627,947 58.385,948 62.528,949 18.011,950 153.227,951 70.627,952 176.908,953 115.242,955 0.594,956 0.349,957 0.188,958 0.087,959 18,960 9,961 0.091,962 3,964 1,965 3.462,966 182.559,968 16,969 102.042,970 1,974 15.491,975 6.005,976 3.051,978 171.238,979 7.1,982 5.467,984 -0.307,986 60.694,987 362.777,988 35.5,990 -0.699,993 44.219,995 1.378,997 -0.806,999 32.895,1000 34.419,1001 0.383,1002 0.784,1003 0.898,1004 0.974,1005 0.987,1006 0.987,1007 4.842,1008 1.265,1009 5.68,1010 3.472,1011 4.29,1012 4.902,1013 3.918,1014 6.512,1015 4.223,1016 6.083,1017 1.019,1018 7.261,1019 3.149,1020 4.007,1021 4.856,1022 3.318,1023 7.445,1024 3.908,1025 7.413,1026 0.69,1027 8.938,1028 2.678,1029 5.911,1030 7.112,1031 6.517,1032 10.539,1033 5.78,1034 8.776,1035 -0.058,1036 10.669,1037 1.683,1038 6.415,1039 7.851,1040 6.401,1041 12.278,1042 6.245,1043 10.168,1044 -0.207,1045 12.436,1046 -0.147,1047 7.825,1048 9.607,1049 9.317,1050 14.891,1051 7.633,1052 11.578,1053 -0.59,1054 14.226,1055 -0.566,1056 8.672,1057 10.7,1058 9.491,1059 16.963,1060 8.44,1061 13.004,1062 -0.637,1063 16.034,1064 -1.359,1065 9.897,1066 12.262,1067 12.17,1068 19.408,1069 9.645,1070 3.145,1071 -0.937,1072 17.856,1073 -1.599,1074 10.894,1075 13.521,1076 12.568,1077 21.628,1078 10.606,1079 2.943,1080 10.724,1081 19.688,1082 -2,1083 12.049,1084 15.004,1085 15.044,1086 24.013,1087 11.74,1088 2.684,1089 9.116,1090 21.529,1091 4.276,1092 13.113,1093 16.346,1094 15.621,1095 26.302,1096 12.772,1097 2.269,1098 8.457,1099 23.377,1100 3.842,1101 14.243,1102 17.796,1103 17.928,1104 28.667,1105 13.882,1106 1.875,1107 6.811,1108 25.23,1109 3.542,1110 15.337,1111 19.182,1112 18.65,1113 30.991,1114 14.949,1115 1.62,1116 5.184,1117 27.089,1118 3.152,1119 16.46,1120 20.62,1121 20.82,1122 33.351,1123 16.051,1124 1.414,1125 4.487,1126 28.951,1127 2.543,1128 17.57,1129 22.029,1130 21.66,1131 35.694,1132 17.137,1133 5417,1134 11700,1135 16.126,1136 22.67,1137 38.576,1138 42.288,1139 39.866,1140 37.906,1141 37.849,1142 51.859,1143 17.032,1144 111.523,1145 36.583,1146 5.312,1147 6.802,1148 6.21,1149 5.217,1150 5.145,1151 7.276,1152 8.335,1153 18.046,1154 5.081,1155 13.478,1156 1.543,1157 1.692,1158 1.595,1159 1.516,1160 1.514,1161 2.074,1162 0.681,1163 4.461,1164 1.463,1165 4.055,1166 4.063,1167 4.093,1168 3.941,1169 7.815,1170 3.954,1171 3.865,1172 3.874,1173 3.981,1174 3.749,1175 7.449,1176 3.741,1177 3.685,1178 3.691,1179 3.755,1180 3.528,1181 7.409,1182 3.525,1183 3.44,1184 3.462,1185 3.408,1186 3.034,1187 6.999,1188 3.125,1189 3.039,1190 3.065,1191 3.035,1192 2.861,1193 6.467,1194 2.878,1195 2.906,1196 2.919,1197 2.904,1198 2.685,1199 5.06,1200 2.706,1201 2.761,1202 2.735,1203 2.791,1204 2.488,1205 4.533,1206 2.516,1207 2.629,1208 2.673,1209 2.538,1210 2.345,1211 4.133,1212 2.408,1213 0.181,1214 0.192,1215 0.268,1216 0.165,1217 0.126,1218 4.534,1219 0.171,1220 4.802,1221 0.173,1222 6.699,1223 0.429,1224 4.124,1225 0.123,1226 3.145,1227 4.276,1228 4.337,1229 10.724,1230 3.081,1231 1.921,1232 1.905,1233 1.994,1234 2.084,1235 1.101,1236 2.039,1237 1.638,1238 1.63,1239 1.718,1240 1.764,1241 0.836,1242 1.745,1243 1.398,1244 1.378,1245 1.507,1246 1.703,1247 0.579,1248 1.612,1249 1.244,1250 1.227,1251 1.309,1252 1.568,1253 0.235,1254 1.516,1255 1.162,1256 1.146,1257 1.248,1258 1.44,1259 0.165,1260 1.421,1261 1.032,1262 1.041,1263 1.078,1264 1.232,1265 0.133,1266 1.206,1267 0.695,1268 0.686,1269 0.842,1270 1.088,1272 1.02,1273 0.508,1274 0.466,1275 0.764,1276 0.792,1278 0.81,1279 3.932,1281 5.273,1282 3.045,1283 6.786,1284 5.352,1285 8.379,1286 7.368,1287 10.018,1294 9.953,1296 2.115,1298 0.746,1305 23.099,1306 58.767,1307 120.461,1308 137.97,1309 149.58,1310 151.58,1311 151.58,1312 58.14,1313 6.917,1314 129.12,1315 157.36,1316 16,1317 12.375,1318 4.087,1319 3.524,1320 36.924,1321 80,1322 72,1323 0.231,1324 145.233,1325 261.37,1326 346.13,1327 8530,1329 16.56,1330 0.72,1331 0.527,1332 16.914,1333 12.125,1334 10.952,1335 0.438,1336 0.283,1337 6.209,1338 9.868,1339 6.078,1340 4.993,1341 11.361,1342 7.086,1343 10.351,1344 0.288,1345 0.153,1346 11.079,1347 5.499,1348 8.389,1349 0.178,1350 0.081,1351 9.11,1352 3.83,1353 7.184,1354 0.118,1355 0.044,1356 7.952,1357 2.665,1358 4.854,1359 0.075,1360 0.023,1361 5.408,1362 1.475,1363 0.361,1364 74.652,1365 0.249,1366 22.497,1367 0.639,1368 122,1369 519.666,1370 168.259,1371 506.772,1372 661.7,1373 464,1374 144,1375 460.937,1376 183.048,1377 469.057,1378 684.89,1379 439,1380 5.903}
{0 CHEMBL211068,1 1.916,2 9.286,3 3.085,4 9.52,5 75.536,6 10.528,7 0.478,8 3.543,9 3.591,10 3.422,11 3.171,12 4.922,13 3.181,14 3.978,15 4.029,16 3.872,17 3.52,18 5.469,19 3.533,20 4.158,21 4.254,22 3.734,23 3.467,24 5.635,25 3.485,26 4.076,27 4.19,28 3.678,29 3.325,30 5.798,31 3.35,32 3.984,33 4.117,34 3.519,35 3.277,36 5.432,37 3.266,38 3.818,39 3.943,40 3.308,41 3.115,42 5.333,43 3.099,44 3.659,45 3.805,46 3.148,47 2.942,48 5.076,49 2.912,50 3.48,51 3.599,52 3.253,53 2.858,54 4.95,55 2.832,56 0.222,57 0.441,58 2.258,59 2.597,60 28.244,61 1.913,62 0.356,63 0.7,64 4.374,65 4.223,66 37.706,67 3.319,68 0.629,69 0.814,70 10.806,71 5.744,72 88.888,73 4.193,74 0.77,75 0.773,76 8.666,77 4.929,78 108.105,79 4.131,80 0.625,81 0.736,82 10.035,83 4.899,84 77.883,85 4.19,86 0.507,87 0.559,88 7.343,89 3.893,90 56.403,91 3.479,92 0.405,93 0.481,94 6.662,95 3.442,96 61.385,97 2.95,98 0.271,99 0.471,100 7.508,101 3.361,102 45.685,103 2.686,104 17,105 33,106 0.361,107 0.714,108 0.827,109 0.903,110 0.916,111 0.916,112 3.103,113 0.871,114 -2.78,115 -2.79,116 -2.7,119 48.3,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 3,175 5,178 2,180 3,183 6,187 3,192 2,195 4,198 1,199 4,204 1,207 5,211 1,212 1,215 1,217 1,220 4,223 1,224 2,227 1,229 2,232 3,237 2,242 2,245 1,250 2,255 2,258 2,263 3,268 2,275 501,276 13.826,277 13.826,278 13.826,279 13.826,280 13.826,281 12.012,282 8.925,283 7.98,284 14.126,285 11.349,286 11.349,287 11.349,288 11.349,289 11.349,290 8.508,291 6.502,292 3.822,293 11.847,294 2.941,295 1.073,296 0.469,297 0.069,300 3.776,304 1,305 1,306 417,307 2.236,310 116.949,311 69.581,318 1.51,319 38.546,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48,331 195,332 4.427,333 4.802,334 6.475,335 4.037,336 3.055,337 4.119,338 4.337,339 10.059,340 3.002,341 4.253,342 3.599,343 6.148,344 3.867,345 2.924,346 3.707,347 1.058,348 9.085,349 2.746,350 3.924,351 3.229,352 5.481,353 3.501,354 2.526,355 3.412,356 0.508,357 7.271,358 2.451,359 3.517,360 3.114,361 5.091,362 3.124,363 2.157,364 2.825,366 6.15,367 2.076,368 3.328,369 2.661,370 4.776,371 2.848,372 1.873,373 2.495,375 5.17,376 1.78,377 3.042,378 2.4,379 4.63,380 2.611,381 1.657,382 2.186,384 4.609,385 1.555,386 2.788,387 2.005,388 4.132,389 2.266,390 1.307,391 1.821,393 3.532,394 1.237,395 2.551,396 1.531,397 3.898,398 2.064,399 1.111,400 1.505,402 2.999,403 1.035,404 2.183,405 1.242,406 3.278,407 1.698,408 0.703,409 1.031,411 1.7,412 0.699,413 1.283,414 0.805,415 2.882,416 0.914,417 -0.019,418 -0.024,420 -0.048,421 -0.017,422 1.152,423 0.728,424 2.569,425 0.711,426 -0.217,427 -0.284,428 -0.603,429 -0.198,430 1,431 0.336,432 2.359,433 0.484,434 -0.515,435 -0.621,436 -1.242,437 -0.441,438 0.796,439 0.162,440 2,441 0.376,442 -0.596,443 -0.865,445 -1.366,446 -0.623,447 0.458,448 0.021,449 1.919,450 0.083,451 -0.922,452 -1.171,454 -2.441,455 -0.893,456 0.178,457 -0.579,458 1.83,459 -0.175,460 -1.126,461 -1.45,463 -3.103,464 -1.071,465 9.852,466 0.469,467 0.647,468 0.031,469 28.5,470 1.357,471 15,472 0.714,473 13.5,474 0.643,475 13.418,476 0.639,477 21.948,478 0.757,479 20.292,480 0.966,481 5.858,482 0.279,483 4.166,484 0.198,485 0.13,487 0.406,491 1,493 0.753,494 0.801,495 0.654,496 0.74,497 0.654,498 0.671,499 0.656,500 1.008,501 0.702,502 1.078,503 0.601,504 0.931,505 1.232,506 1.099,507 1.159,508 1.143,509 1.125,510 1.105,511 0.878,512 1.047,513 0.776,514 0.919,515 0.767,516 1.022,517 1.1,518 1.023,519 1.06,520 0.882,521 1.001,522 0.956,523 0.761,524 0.914,525 0.989,526 0.967,527 0.797,528 1.131,529 1.122,530 0.858,531 0.995,532 0.826,533 1.174,534 0.981,535 0.93,536 1.271,537 1.139,538 1.286,539 1.074,540 0.972,541 5.5,542 0.075,543 2.444,544 2.076,545 0.858,546 0.716,547 0.304,548 0.281,549 0.175,550 0.155,551 4431,552 18984,553 2.045,554 27.6,556 6,559 2,564 1.628,565 1.881,566 3.179,567 0.425,569 1,571 1,573 55.578,574 1.916,575 3.785,576 4.389,577 4.789,578 4.858,579 4.858,580 2.661,581 3.88,582 4.366,583 3.329,584 699.13,585 7.461,586 7431.39,587 1,588 1,589 1,590 1,591 140.881,592 1.51,593 4.305,594 0.239,595 0.009,596 0.074,597 0.072,598 0.033,599 0.031,600 0.016,601 0.019,602 0.012,603 0.011,604 0.516,605 0.5,606 1,607 0.665,608 95.21,609 -0.12,610 0.044,611 -0.009,612 0.111,613 -0.104,614 0.094,615 0.051,616 -0.128,617 0.088,618 -0.154,619 0.02,620 -0.123,621 -0.249,622 -0.158,623 -0.216,624 -0.172,625 -0.199,626 -0.155,627 0.183,628 0.006,629 0.09,630 -0.026,631 0.192,632 -0.053,633 -0.077,634 0.085,635 -0.053,636 0.105,637 -0.104,638 0.079,639 0.096,640 -0.055,641 -0.09,642 -0.066,643 0.023,644 -0.123,645 -0.21,646 0.031,647 0.02,648 0.138,649 -0.199,650 0.097,651 -0.07,652 -0.272,653 0.188,654 -0.09,655 -0.103,656 0.115,657 2.285,658 5.715,659 0.762,660 15.864,661 1.053,662 1.112,663 1.546,664 2.39,665 0.74,666 3.178,667 3.526,668 3.761,669 4.025,670 4.094,671 4.127,672 4.19,673 4.277,674 4.357,675 4.331,676 5.498,677 0.743,678 305.3,679 3.178,680 4.727,681 5.572,682 6.457,683 7.317,684 8.201,685 9.067,686 9.951,687 10.819,688 11.702,689 3.4,696 1,704 5,707 1,709 5,711 11,728 1,730 1,731 29,733 14,734 1,735 23,737 31,738 14,739 10,740 3,741 3,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,778 1,779 1,780 1,781 8,782 6,783 2,784 7,785 1,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,846 1,848 21,853 1,855 1,857 1,869 1,870 13.8,872 1,873 2,875 1,877 11.167,878 5.26,879 4.5,880 1.537,881 2.812,882 1.418,883 0.977,884 3.573,885 9.533,886 3.481,887 4.09,888 4.626,889 5.195,890 5.597,891 5.929,892 6.284,893 6.662,894 7.007,895 7.223,896 1,897 29,898 7.778,900 3.495,901 8.413,902 13.863,904 11.309,905 2.913,906 61.167,910 70.627,911 121.606,912 18.011,914 102.481,915 14.96,916 32.22,917 89.387,918 173.107,919 32.971,921 18.011,922 56.857,923 99.229,924 21.814,925 28.928,926 102.846,928 70.627,929 107.398,930 117.441,931 32.22,933 85.587,934 102.481,937 18.011,938 78.36,939 11.027,940 32.22,941 85.587,942 120.491,943 121.606,946 70.627,947 64.749,948 56.857,949 18.011,950 117.441,951 70.627,952 135.451,953 121.606,955 0.594,956 0.339,957 0.183,958 0.089,959 17,960 8,961 0.065,962 2,964 1,965 3.346,966 159.685,968 16,969 92.239,970 1,974 13.922,975 5.39,976 2.865,978 135.451,979 6.82,982 5.433,984 -0.023,986 60.694,987 327.684,988 31.5,993 22.451,995 1.409,997 -0.714,999 30.535,1000 32.256,1001 0.395,1002 0.779,1003 0.903,1004 0.986,1005 1,1006 1,1007 4.725,1008 1.111,1009 5.58,1010 3.532,1011 4.205,1012 4.775,1013 3.666,1014 6.385,1015 4.125,1016 5.956,1017 0.703,1018 7.14,1019 2.999,1020 3.892,1021 4.649,1022 2.89,1023 7.235,1024 3.766,1025 7.274,1026 -0.019,1027 8.791,1028 1.7,1029 5.802,1030 6.949,1031 6.42,1032 10.311,1033 5.656,1034 8.623,1035 -0.217,1036 10.494,1037 -0.048,1038 6.256,1039 7.586,1040 6.24,1041 11.967,1042 6.062,1043 9.999,1044 -0.515,1045 12.23,1046 -0.603,1047 7.673,1048 9.383,1049 9.282,1050 14.552,1051 7.465,1052 11.392,1053 -0.596,1054 13.99,1055 -1.242,1056 8.474,1057 10.383,1058 9.437,1059 16.558,1060 8.22,1061 12.8,1062 -0.922,1063 15.767,1064 -1.366,1065 9.697,1066 11.965,1067 12.158,1068 18.96,1069 9.429,1070 3.055,1071 -1.126,1072 17.558,1073 -2.441,1074 10.658,1075 13.149,1076 12.55,1077 21.121,1078 10.349,1079 2.924,1080 10.059,1081 19.361,1082 -3.103,1083 11.803,1084 14.632,1085 15.039,1086 23.453,1087 11.478,1088 2.526,1089 9.085,1090 21.173,1091 4.119,1092 12.837,1093 15.913,1094 15.615,1095 25.683,1096 12.478,1097 2.157,1098 7.271,1099 22.992,1100 3.707,1101 13.951,1102 17.349,1103 17.926,1104 27.989,1105 13.573,1106 1.873,1107 6.15,1108 24.817,1109 3.412,1110 15.019,1111 18.683,1112 18.648,1113 30.252,1114 14.613,1115 1.657,1116 5.17,1117 26.647,1118 2.825,1119 16.123,1120 20.098,1121 20.819,1122 32.548,1123 15.697,1124 1.307,1125 4.609,1126 28.482,1127 2.495,1128 17.208,1129 21.462,1130 21.659,1131 34.827,1132 16.758,1133 4340,1134 9103,1135 15.027,1136 21.455,1137 35.372,1138 38.962,1139 36.187,1140 34.736,1141 34.626,1142 46.2,1143 11.807,1144 101.15,1145 33.16,1146 5.204,1147 6.802,1148 5.768,1149 5.13,1150 5.055,1151 7.119,1152 8.335,1153 16.866,1154 5.002,1155 11.384,1156 1.538,1157 1.694,1158 1.573,1159 1.51,1160 1.505,1161 2.009,1162 0.513,1163 4.398,1164 1.442,1165 4.026,1166 4.031,1167 4.088,1168 3.928,1169 8.201,1170 3.938,1171 3.814,1172 3.823,1173 3.938,1174 3.735,1175 7.449,1176 3.721,1177 3.652,1178 3.659,1179 3.672,1180 3.515,1181 7.409,1182 3.51,1183 3.057,1184 3.078,1185 3.046,1186 2.88,1187 6.47,1188 2.899,1189 2.916,1190 2.96,1191 2.938,1192 2.733,1193 5.06,1194 2.736,1195 2.874,1196 2.897,1197 2.844,1198 2.676,1199 4.429,1200 2.701,1201 2.739,1202 2.719,1203 2.739,1204 2.484,1205 4.125,1206 2.505,1207 2.319,1208 2.355,1209 2.319,1210 2.01,1211 3.628,1212 1.986,1213 0.192,1214 0.209,1215 0.282,1216 0.176,1217 0.133,1218 4.427,1219 0.179,1220 4.802,1221 0.189,1222 6.475,1223 0.437,1224 4.037,1225 0.131,1226 3.055,1227 4.119,1228 4.337,1229 10.059,1230 3.002,1231 1.889,1232 1.875,1233 1.967,1234 1.988,1235 1.071,1236 1.979,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.834,1242 1.745,1243 1.366,1244 1.344,1245 1.492,1246 1.568,1247 0.563,1248 1.533,1249 1.235,1250 1.222,1251 1.293,1252 1.502,1253 0.2,1254 1.472,1255 1.049,1256 1.075,1257 1.123,1258 1.239,1259 0.161,1260 1.212,1261 0.86,1262 0.805,1263 1.043,1264 1.068,1265 0.129,1266 1.079,1267 0.641,1268 0.627,1269 0.79,1270 0.994,1272 0.93,1273 0.295,1274 0.272,1275 0.55,1276 0.681,1278 0.645,1279 3.85,1281 5.187,1282 3.045,1283 6.688,1284 5.352,1285 8.266,1286 7.368,1287 9.887,1291 13.715,1294 9.174,1296 2.128,1298 0.773,1305 21.558,1306 55.578,1307 109.762,1308 127.272,1309 138.881,1310 140.881,1311 140.881,1312 47.96,1313 6.721,1314 83.3,1315 111.54,1316 16,1317 12.239,1318 3.907,1319 3.248,1320 32.318,1321 71,1322 61,1323 0.233,1324 134.572,1325 241.5,1326 320.116,1327 6662,1328 3.4,1329 14.983,1330 0.713,1331 0.535,1332 14.466,1333 11.239,1334 10.025,1335 0.436,1336 0.29,1337 5.822,1338 9.067,1339 5.685,1340 4.659,1341 10.022,1342 6.68,1343 9.548,1344 0.289,1345 0.159,1346 9.737,1347 5.233,1348 7.605,1349 0.181,1350 0.085,1351 7.949,1352 3.571,1353 6.535,1354 0.119,1355 0.045,1356 6.711,1357 2.492,1358 4.456,1359 0.076,1360 0.023,1361 4.877,1362 1.38,1363 0.364,1364 68.055,1365 0.258,1366 20.847,1367 0.641,1368 112,1369 482.661,1370 155.914,1371 450.92,1372 589.92,1373 416,1374 131,1375 401.905,1376 166.835,1377 410.878,1378 603.18,1379 386,1380 6}
{0 CHEMBL211173,1 1.792,2 9.286,3 2.613,4 6.825,5 77.014,6 10.11,7 0.478,8 3.575,9 3.622,10 3.418,11 3.184,12 4.941,13 3.192,14 3.991,15 4.039,16 3.863,17 3.539,18 5.444,19 3.544,20 4.18,21 4.268,22 3.72,23 3.504,24 5.602,25 3.508,26 4.126,27 4.237,28 3.654,29 3.386,30 5.726,31 3.388,32 4.067,33 4.194,34 3.514,35 3.339,36 5.437,37 3.31,38 3.908,39 4.053,40 3.305,41 3.175,42 5.336,43 3.136,44 3.699,45 3.846,46 3.141,47 2.979,48 5.061,49 2.934,50 3.527,51 3.652,52 3.221,53 2.907,54 4.919,55 2.86,56 0.214,57 0.39,58 3.18,59 2.723,60 26.954,61 2.02,62 0.308,63 0.606,64 5.48,65 4.324,66 29.224,67 3.571,68 0.54,69 0.682,70 11.567,71 5.79,72 71.738,73 4.395,74 0.655,75 0.641,76 9.879,77 5.143,78 91.019,79 4.697,80 0.601,81 0.617,82 11.448,83 5.192,84 67.747,85 4.552,86 0.493,87 0.54,88 9.595,89 4.374,90 52.236,91 4.386,92 0.358,93 0.434,94 7.538,95 3.575,96 51.423,97 3.239,98 0.247,99 0.386,100 8.049,101 3.42,102 38.735,103 2.977,104 17,105 33,106 0.336,107 0.687,108 0.809,109 0.894,110 0.919,111 0.919,112 3.103,113 0.876,114 -1.88,115 -1.93,116 -1.94,119 46.7,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 3,175 5,178 2,180 5,183 6,187 3,192 3,195 4,198 1,199 4,202 1,203 1,204 3,207 5,211 1,212 1,215 1,217 2,220 4,223 1,224 2,227 1,229 3,232 3,237 2,242 2,245 1,250 2,255 3,258 2,263 3,266 1,267 1,268 2,275 501,276 13.826,277 13.826,278 13.826,279 13.826,280 13.826,281 12.012,282 9.454,283 7.98,284 14.108,285 11.349,286 11.349,287 11.349,288 11.349,289 11.349,290 8.508,291 7.288,292 3.822,293 11.811,294 3.115,295 1.237,296 0.587,297 0.133,300 3.776,303 1,304 1,305 1,306 417,307 2.236,310 116.949,311 69.581,318 1.51,319 35.042,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 47.5,331 195,332 4.427,333 4.802,334 6.475,335 4.041,336 3.055,337 4.119,338 4.337,339 10.059,340 3.014,341 4.253,342 3.599,343 6.148,344 3.868,345 2.924,346 3.707,347 1.058,348 9.085,349 2.749,350 3.924,351 3.132,352 5.481,353 3.504,354 2.526,355 3.412,356 0.508,357 7.271,358 2.461,359 3.517,360 3.105,361 5.091,362 3.124,363 2.157,364 2.825,366 6.15,367 2.076,368 3.328,369 2.637,370 4.776,371 2.849,372 1.873,373 2.495,375 5.17,376 1.782,377 3.042,378 2.334,379 4.63,380 2.624,381 1.657,382 2.186,384 4.609,385 1.586,386 2.788,387 1.877,388 4.132,389 2.269,390 1.307,391 1.821,393 3.532,394 1.244,395 2.551,396 1.525,397 3.898,398 2.064,399 1.111,400 1.505,402 2.999,403 1.035,404 2.183,405 1.228,406 3.278,407 1.699,408 0.703,409 1.031,411 1.7,412 0.699,413 1.283,414 0.805,415 2.882,416 0.923,417 -0.019,418 -0.024,420 -0.048,421 -0.018,422 1.152,423 0.725,424 2.569,425 0.714,426 -0.217,427 -0.284,428 -0.603,429 -0.199,430 1,431 0.257,432 2.359,433 0.484,434 -0.515,435 -0.621,436 -1.242,437 -0.46,438 0.796,439 0.102,440 2,441 0.399,442 -0.596,443 -0.865,445 -1.366,446 -0.623,447 0.458,448 -0.071,449 1.919,450 0.083,451 -0.922,452 -1.171,454 -2.441,455 -0.894,456 0.178,457 -0.579,458 1.83,459 -0.172,460 -1.126,461 -1.45,463 -3.103,464 -1.072,465 9.9,466 0.471,467 0.647,468 0.031,469 29,470 1.381,471 15.5,472 0.738,473 13.5,474 0.643,475 13.194,476 0.628,477 21.9,478 0.73,479 20.515,480 0.977,481 5.895,482 0.281,483 4.13,484 0.197,485 0.135,487 0.404,493 0.904,494 0.865,495 0.696,496 0.714,497 0.795,498 0.651,499 0.651,500 1.125,501 0.702,502 1.088,503 0.591,504 0.923,505 1.22,506 1.084,507 1.133,508 1.152,509 1.105,510 1.109,511 0.801,512 0.97,513 0.756,514 0.936,515 0.648,516 1.045,517 1.056,518 0.838,519 1.026,520 0.857,521 0.874,522 0.971,523 0.68,524 0.994,525 0.91,526 0.941,527 0.725,528 1.082,529 1.101,530 0.886,531 0.943,532 0.827,533 1.173,534 0.964,535 0.875,536 1.146,537 1.127,538 1.217,539 1.021,540 0.941,541 5.5,542 0.075,543 2.444,544 2.076,545 0.858,546 0.716,547 0.304,548 0.281,549 0.175,550 0.155,551 4431,552 18052,553 2.045,554 30,556 6,559 3,564 1.628,565 1.881,566 3.179,567 1.156,569 1,571 1,573 53.765,574 1.792,575 3.67,576 4.32,577 4.774,578 4.907,579 4.907,580 2.661,581 3.88,582 4.366,583 3.329,584 699.13,585 7.461,586 7431.39,587 1,588 1,589 1,590 1,591 147.207,592 1.51,593 4.305,594 0.239,595 0.009,596 0.074,597 0.072,598 0.033,599 0.031,600 0.016,601 0.019,602 0.012,603 0.011,604 0.516,605 0.5,606 1,607 0.665,608 95.21,609 -0.184,610 0.129,611 -0.022,612 0.164,613 -0.169,614 0.127,615 0.073,616 -0.135,617 0.099,618 -0.144,619 0.032,620 -0.106,621 -0.243,622 -0.168,623 -0.212,624 -0.188,625 -0.195,626 -0.176,627 0.181,628 -0.062,629 0.085,630 -0.06,631 0.205,632 -0.075,633 -0.069,634 0.096,635 -0.048,636 0.106,637 -0.086,638 0.051,639 0.168,640 -0.053,641 0.017,642 -0.027,643 0.083,644 -0.029,645 -0.189,646 0.059,647 0.055,648 0.134,649 -0.182,650 0.099,651 -0.052,652 -0.131,653 0.178,654 -0.028,655 -0.074,656 0.146,657 2.129,658 4.427,659 0.762,660 15.864,661 1.045,662 1.104,663 0.645,664 0.416,665 0.732,666 3.178,667 3.526,668 3.761,669 4.025,670 4.094,671 4.127,672 4.19,673 4.277,674 4.357,675 4.331,676 5.498,677 0.73,678 303.31,679 3.178,680 4.727,681 5.572,682 6.457,683 7.317,684 8.201,685 9.067,686 9.951,687 10.819,688 11.702,689 3.3,696 1,704 5,707 1,709 5,711 11,728 2,731 30,733 14,734 1,735 23,737 32,738 14,739 10,740 3,741 3,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,777 1,778 1,780 1,781 9,782 6,783 3,784 7,785 1,790 1,792 1,794 1,795 5,811 2,812 1,831 2,837 1,840 3,842 1,848 21,853 2,855 1,857 1,870 16.7,872 2,873 2,875 1,877 11.167,878 5.317,879 4.5,880 1.551,881 2.812,882 1.418,883 0.944,884 3.59,885 9.533,886 3.481,887 4.09,888 4.626,889 5.195,890 5.597,891 5.929,892 6.284,893 6.662,894 7.007,895 7.223,896 1,897 29,898 7.741,900 3.443,901 8.317,902 13.917,904 11.352,905 2.817,906 59.167,910 70.627,911 112.485,912 18.011,914 145.164,916 32.22,917 80.266,918 215.79,919 18.011,921 18.011,922 56.857,923 141.912,924 12.693,925 13.967,926 102.846,928 70.627,929 98.277,930 145.164,931 32.22,933 70.627,934 145.164,937 18.011,938 69.239,939 11.027,940 32.22,941 70.627,942 163.175,943 112.485,946 70.627,947 55.628,948 56.857,949 18.011,950 145.164,951 70.627,952 163.175,953 112.485,955 0.594,956 0.339,957 0.183,958 0.089,959 17,960 8,961 0.063,962 2,964 1,965 3.346,966 159.685,968 16,969 92.239,970 1,974 13.947,975 5.405,976 2.875,978 163.175,979 7.383,982 5.513,984 1.005,986 103.377,987 346.287,988 31.5,993 22.487,995 1.45,997 -0.638,999 31.349,1000 33.126,1001 0.365,1002 0.748,1003 0.88,1004 0.973,1005 1,1006 1,1007 4.725,1008 1.111,1009 5.58,1010 3.532,1011 4.205,1012 4.775,1013 3.666,1014 6.385,1015 4.131,1016 5.956,1017 0.703,1018 7.14,1019 2.999,1020 3.892,1021 4.649,1022 2.89,1023 7.235,1024 3.78,1025 7.274,1026 -0.019,1027 8.791,1028 1.7,1029 5.802,1030 6.949,1031 6.42,1032 10.311,1033 5.667,1034 8.623,1035 -0.217,1036 10.494,1037 -0.048,1038 6.256,1039 7.586,1040 6.24,1041 11.967,1042 6.08,1043 9.999,1044 -0.515,1045 12.23,1046 -0.603,1047 7.673,1048 9.383,1049 9.282,1050 14.552,1051 7.482,1052 11.392,1053 -0.596,1054 13.99,1055 -1.242,1056 8.474,1057 10.383,1058 9.437,1059 16.558,1060 8.244,1061 12.8,1062 -0.922,1063 15.767,1064 -1.366,1065 9.697,1066 11.965,1067 12.158,1068 18.96,1069 9.453,1070 3.055,1071 -1.126,1072 17.558,1073 -2.441,1074 10.658,1075 13.149,1076 12.55,1077 21.121,1078 10.379,1079 2.924,1080 10.059,1081 19.361,1082 -3.103,1083 11.803,1084 14.632,1085 15.039,1086 23.453,1087 11.509,1088 2.526,1089 9.085,1090 21.173,1091 4.119,1092 12.837,1093 15.913,1094 15.615,1095 25.683,1096 12.515,1097 2.157,1098 7.271,1099 22.992,1100 3.707,1101 13.951,1102 17.349,1103 17.926,1104 27.989,1105 13.613,1106 1.873,1107 6.15,1108 24.817,1109 3.412,1110 15.019,1111 18.683,1112 18.648,1113 30.252,1114 14.658,1115 1.657,1116 5.17,1117 26.647,1118 2.825,1119 16.123,1120 20.098,1121 20.819,1122 32.548,1123 15.745,1124 1.307,1125 4.609,1126 28.482,1127 2.495,1128 17.208,1129 21.462,1130 21.659,1131 34.827,1132 16.81,1133 4340,1134 8883,1135 15.027,1136 21.972,1137 35.372,1138 38.892,1139 36.187,1140 34.709,1141 34.626,1142 46.2,1143 11.807,1144 101.15,1145 33.291,1146 5.204,1147 6.802,1148 5.768,1149 5.133,1150 5.055,1151 7.119,1152 8.335,1153 16.866,1154 5.014,1155 11.384,1156 1.538,1157 1.691,1158 1.573,1159 1.509,1160 1.505,1161 2.009,1162 0.513,1163 4.398,1164 1.447,1165 4.024,1166 4.026,1167 4.087,1168 3.927,1169 7.449,1170 3.936,1171 3.812,1172 3.82,1173 3.931,1174 3.734,1175 7.409,1176 3.72,1177 3.651,1178 3.659,1179 3.668,1180 3.515,1181 6.493,1182 3.51,1183 3.058,1184 3.078,1185 3.046,1186 2.88,1187 6.446,1188 2.899,1189 2.952,1190 2.976,1191 2.935,1192 2.746,1193 5.058,1194 2.753,1195 2.876,1196 2.898,1197 2.839,1198 2.679,1199 4.417,1200 2.701,1201 2.74,1202 2.72,1203 2.739,1204 2.485,1205 4.125,1206 2.506,1207 2.334,1208 2.371,1209 2.321,1210 2.02,1211 3.628,1212 2.008,1213 0.192,1214 0.209,1215 0.282,1216 0.176,1217 0.133,1218 4.427,1219 0.179,1220 4.802,1221 0.189,1222 6.475,1223 0.437,1224 4.041,1225 0.131,1226 3.055,1227 4.119,1228 4.337,1229 10.059,1230 3.014,1231 1.888,1232 1.877,1233 1.97,1234 1.987,1235 1.074,1236 1.979,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.834,1242 1.745,1243 1.366,1244 1.344,1245 1.492,1246 1.568,1247 0.563,1248 1.533,1249 1.235,1250 1.222,1251 1.293,1252 1.502,1253 0.2,1254 1.472,1255 1.05,1256 1.075,1257 1.142,1258 1.24,1259 0.163,1260 1.214,1261 0.883,1262 0.84,1263 1.058,1264 1.15,1265 0.133,1266 1.132,1267 0.661,1268 0.649,1269 0.831,1270 1.008,1272 0.968,1273 0.302,1274 0.279,1275 0.576,1276 0.683,1278 0.648,1279 3.85,1281 5.187,1282 3.045,1283 6.688,1284 5.352,1285 8.266,1286 7.368,1287 9.887,1294 19.021,1296 2.148,1298 0.798,1305 21.89,1306 53.765,1307 110.087,1308 129.597,1309 143.207,1310 147.207,1311 147.207,1312 44.234,1313 6.721,1314 103.53,1315 131.77,1316 16,1317 12.239,1318 3.907,1319 3.248,1320 32.318,1321 71,1322 61,1323 0.233,1324 137.37,1325 244.22,1326 326.944,1327 6662,1329 14.983,1330 0.713,1331 0.538,1332 15.336,1333 11.308,1334 10.025,1335 0.436,1336 0.292,1337 5.867,1338 9.112,1339 5.718,1340 4.697,1341 10.433,1342 6.715,1343 9.548,1344 0.289,1345 0.16,1346 10.277,1347 5.27,1348 7.605,1349 0.181,1350 0.086,1351 8.326,1352 3.6,1353 6.535,1354 0.119,1355 0.046,1356 7.303,1357 2.516,1358 4.456,1359 0.076,1360 0.024,1361 5.01,1362 1.391,1363 0.364,1364 67.766,1365 0.258,1366 20.847,1367 0.641,1368 112,1369 428.699,1370 154.186,1371 425.125,1372 562.2,1373 392,1374 131,1375 387.602,1376 165.336,1377 402.407,1378 589.52,1379 378,1380 6.721}
{0 CHEMBL211759,1 1.76,2 9.25,3 2.88,4 8.294,5 75.32,6 9.907,7 0.5,8 3.528,9 3.582,10 3.372,11 3.174,12 4.846,13 3.165,14 3.958,15 4.017,16 3.808,17 3.524,18 5.364,19 3.51,20 4.126,21 4.234,22 3.617,23 3.473,24 5.483,25 3.446,26 4.026,27 4.161,28 3.48,29 3.333,30 5.439,31 3.299,32 3.936,33 4.086,34 3.414,35 3.285,36 5.21,37 3.225,38 3.796,39 3.928,40 3.247,41 3.119,42 5.231,43 3.077,44 3.633,45 3.788,46 3.076,47 2.946,48 4.96,49 2.885,50 3.447,51 3.581,52 3.014,53 2.867,54 4.791,55 2.781,56 0.141,57 0.368,58 3.145,59 2.563,60 15.827,61 2.131,62 0.246,63 0.582,64 5.967,65 4.167,66 19.297,67 3.683,68 0.415,69 0.656,70 12.023,71 5.668,72 50.305,73 4.718,74 0.434,75 0.596,76 9.818,77 4.836,78 61.759,79 4.568,80 0.399,81 0.561,82 10.748,83 4.798,84 39.638,85 4.943,86 0.388,87 0.485,88 8.101,89 3.853,90 35.856,91 3.812,92 0.267,93 0.413,94 7.261,95 3.404,96 37.001,97 3.228,98 0.183,99 0.363,100 7.993,101 3.287,102 25.464,103 2.962,104 10,105 31,106 0.332,107 0.661,108 0.776,109 0.851,110 0.864,111 0.864,112 3.057,113 0.896,114 -2.65,115 -2.67,116 -2.59,119 48.3,135 1,138 1,142 6,143 1,144 1,152 2,158 1,159 1,172 5,175 5,178 2,180 3,183 7,187 4,192 3,195 6,198 1,199 4,204 1,207 6,211 1,212 1,215 1,217 1,220 5,223 1,224 2,227 1,229 2,232 3,237 2,242 2,245 2,250 3,255 3,258 2,263 4,268 2,275 460,276 13.326,277 13.326,278 13.326,279 13.326,280 13.326,281 11.565,282 7.297,283 7.775,284 13.574,285 10.865,286 10.865,287 10.865,288 10.865,289 10.865,290 8.113,291 4.963,292 3.741,293 11.262,294 3.098,295 1.35,296 0.742,297 0.345,298 0.276,299 0.276,300 3.732,304 1,305 1,306 398,307 2.121,310 112.01,311 65.714,318 1.55,319 27.574,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 44.5,331 185,332 4.352,333 4.802,334 6.207,335 3.962,336 2.985,337 4.005,338 4.337,339 9.32,340 2.94,341 4.206,342 3.599,343 6.124,344 3.833,345 2.871,346 3.633,347 1.058,348 8.991,349 2.726,350 3.851,351 3.116,352 5.315,353 3.421,354 2.442,355 3.359,356 0.508,357 6.855,358 2.386,359 3.509,360 2.933,361 5.009,362 3.121,363 2.15,364 2.8,366 5.98,367 2.076,368 3.306,369 2.593,370 4.756,371 2.833,372 1.847,373 2.465,375 5.109,376 1.77,377 2.888,378 2.221,379 4.255,380 2.375,381 1.397,382 1.939,384 3.85,385 1.353,386 2.562,387 1.551,388 4.045,389 2.074,390 1.137,391 1.505,393 3.241,394 1.039,395 2.5,396 1.327,397 3.414,398 2,399 1,400 1.5,402 2.275,403 1,404 2.178,405 1,406 3.275,407 1.691,408 0.694,409 1.022,411 1.687,412 0.691,413 1.203,414 0.804,415 2.855,416 0.819,417 -0.114,418 -0.142,420 -0.296,421 -0.105,422 1.092,423 0.712,424 2.388,425 0.672,426 -0.264,427 -0.341,428 -0.656,429 -0.243,430 1,431 0.214,432 2,433 0.484,434 -0.596,435 -0.864,436 -1.365,437 -0.623,438 0.5,439 0.057,440 2,441 0.084,442 -0.921,443 -1.164,445 -2.432,446 -0.891,447 0.457,448 -0.577,449 1.854,451 -1,452 -1.435,454 -2.996,455 -1,456 0.127,457 -0.946,458 1.617,459 -0.222,460 -1.174,461 -1.5,463 -3,464 -1.103,465 9.567,466 0.478,467 0.558,468 0.028,469 27.75,470 1.388,471 15,472 0.75,473 12.75,474 0.638,475 12.165,476 0.608,477 20.433,478 0.705,479 18.523,480 0.926,481 5.639,482 0.282,483 3.975,484 0.199,485 0.105,487 0.366,493 0.813,494 0.888,495 0.673,496 0.74,497 0.692,498 0.685,499 0.623,500 1.108,501 0.728,502 1.08,503 0.567,504 0.945,505 1.189,506 1.058,507 1.135,508 1.141,509 1.053,510 1.115,511 0.943,512 0.943,513 0.819,514 0.917,515 0.696,516 1.044,517 0.716,518 0.851,519 0.886,520 0.88,521 0.576,522 0.927,523 0.676,524 1.029,525 0.924,526 0.973,527 0.753,528 1.083,529 1.102,530 0.884,531 0.919,532 0.828,533 1.194,534 0.948,535 0.905,536 1.161,537 1.425,538 1.269,539 1.007,540 1.054,541 5,542 0.075,543 2.222,544 1.514,545 0.712,546 0.581,547 0.304,548 0.25,549 0.132,550 0.111,551 4022,552 15339,553 2.077,554 31,556 7,559 2,564 1.613,565 1.935,566 3.191,567 0.41,569 1,571 1,573 51.049,574 1.76,575 3.508,576 4.116,577 4.513,578 4.582,579 4.582,580 2.684,581 3.922,582 4.294,583 3.326,584 631.855,585 7.311,586 6506.6,587 1,588 1,589 1,590 1,591 140.881,592 1.441,593 4.248,594 0.227,595 0.011,596 0.072,597 0.058,598 0.032,599 0.028,600 0.017,601 0.018,602 0.01,603 0.01,604 0.483,605 0.67,606 1,607 0.627,608 89.389,609 -0.13,610 0.082,611 0.007,612 0.113,613 -0.125,614 0.088,615 0.117,616 -0.139,617 0.095,618 -0.154,619 0.046,620 -0.128,621 -0.2,622 -0.148,623 -0.186,624 -0.171,625 -0.148,626 -0.161,627 0.003,628 -0.034,629 0.035,630 -0.03,631 0.089,632 -0.054,633 0.146,634 0.087,635 0.114,636 0.101,637 0.074,638 0.132,639 0.225,640 -0.079,641 -0.038,642 -0.068,643 0.104,644 -0.1,645 -0.168,646 0.067,647 0.075,648 0.139,649 -0.154,650 0.101,651 -0.105,652 -0.141,653 -0.106,654 -0.069,655 -0.048,656 0.019,657 2.081,658 4.413,659 0.8,660 14.9,661 1.035,662 1.101,663 1.417,664 2.008,665 0.742,666 3.135,667 3.466,668 3.689,669 3.932,670 4.025,671 4.025,672 4.111,673 4.205,674 4.263,675 4.205,676 5.449,677 0.73,678 287.31,679 3.135,680 4.673,681 5.509,682 6.382,683 7.235,684 8.107,685 8.967,686 9.839,687 10.702,688 11.574,689 3.4,696 1,704 6,707 1,709 4,711 11,728 1,731 29,733 14,734 1,735 22,737 31,738 14,739 10,740 2,741 4,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,778 1,780 1,781 9,782 5,783 2,784 6,785 1,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,848 20,853 1,855 1,857 1,870 13.8,872 1,873 2,875 1,877 10.333,878 5.2,879 4.306,880 1.55,881 2.762,882 1.418,883 0.976,884 3.381,885 9.371,886 3.45,887 4.039,888 4.566,889 5.118,890 5.532,891 5.834,892 6.218,893 6.601,894 6.93,895 7.118,896 1,897 26,898 7.356,900 3.218,901 8.175,902 13.442,904 10.936,905 2.675,906 53.5,910 82.398,911 121.962,912 18.011,914 102.481,916 32.22,917 89.742,918 184.878,919 18.011,921 18.011,922 66.334,923 99.229,924 12.693,925 13.967,926 114.617,928 82.398,929 107.753,930 102.481,931 32.22,933 82.398,934 102.481,937 18.011,938 78.715,939 11.027,940 32.22,941 82.398,942 120.491,943 121.962,946 82.398,947 55.628,948 66.334,949 18.011,950 102.481,951 82.398,952 120.491,953 121.962,955 0.589,956 0.332,957 0.174,958 0.09,959 16,960 7,961 0.065,962 2,964 1,965 3.318,966 147.31,968 16,969 82.439,970 1,974 13.03,975 5.19,976 2.815,978 120.491,979 10.061,982 5.592,984 2.097,986 60.694,987 324.851,988 30.5,993 22.461,995 1.523,997 -0.49,999 30.022,1000 31.917,1001 0.362,1002 0.722,1003 0.847,1004 0.929,1005 0.943,1006 0.943,1007 4.68,1008 1,1009 5.501,1010 3.241,1011 4.143,1012 4.723,1013 3.666,1014 6.279,1015 4.079,1016 5.897,1017 0.694,1018 7.041,1019 2.275,1020 3.761,1021 4.511,1022 2.89,1023 7.066,1024 3.664,1025 7.203,1026 -0.114,1027 8.672,1028 1.687,1029 5.714,1030 6.868,1031 6.42,1032 10.119,1033 5.591,1034 8.54,1035 -0.264,1036 10.353,1037 -0.296,1038 6.111,1039 7.429,1040 6.24,1041 11.712,1042 5.951,1043 9.903,1044 -0.596,1045 12.066,1046 -0.656,1047 7.549,1048 9.262,1049 9.282,1050 14.256,1051 7.373,1052 11.284,1053 -0.921,1054 13.802,1055 -1.365,1056 8.302,1057 10.191,1058 9.437,1059 16.196,1060 8.088,1061 12.68,1062 -1,1063 15.555,1064 -2.432,1065 9.529,1066 11.791,1067 12.158,1068 18.546,1069 9.301,1070 2.985,1071 -1.174,1072 17.32,1073 -2.996,1074 10.451,1075 12.912,1076 12.55,1077 20.64,1078 10.187,1079 2.871,1080 9.32,1081 19.096,1082 -3,1083 11.589,1084 14.398,1085 15.039,1086 22.913,1087 11.31,1088 2.442,1089 8.991,1090 20.88,1091 4.005,1092 12.591,1093 15.626,1094 15.615,1095 25.076,1096 12.281,1097 2.15,1098 6.855,1099 22.67,1100 3.633,1101 13.692,1102 17.055,1103 17.926,1104 27.317,1105 13.365,1106 1.847,1107 5.98,1108 24.465,1109 3.359,1110 14.733,1111 18.343,1112 18.648,1113 29.51,1114 14.38,1115 1.397,1116 5.109,1117 26.265,1118 2.8,1119 15.819,1120 19.743,1121 20.819,1122 31.738,1123 15.448,1124 1.137,1125 3.85,1126 28.068,1127 2.465,1128 16.879,1129 21.067,1130 21.659,1131 33.946,1132 16.485,1133 3913,1134 7774,1135 14.622,1136 21.517,1137 33.752,1138 36.953,1139 34.149,1140 33.11,1141 33.049,1142 44.456,1143 11.807,1144 94.616,1145 31.96,1146 5.13,1147 6.802,1148 5.622,1149 5.054,1150 4.985,1151 7.005,1152 8.335,1153 15.647,1154 4.94,1155 9.668,1156 1.534,1157 1.68,1158 1.552,1159 1.505,1160 1.502,1161 2.021,1162 0.537,1163 4.301,1164 1.453,1165 4.021,1166 4.027,1167 4.086,1168 3.928,1169 7.449,1170 3.935,1171 3.808,1172 3.82,1173 3.92,1174 3.735,1175 7.409,1176 3.718,1177 3.65,1178 3.658,1179 3.659,1180 3.515,1181 6.471,1182 3.509,1183 3.055,1184 3.077,1185 3.045,1186 2.88,1187 5.071,1188 2.898,1189 2.884,1190 2.925,1191 2.925,1192 2.735,1193 4.543,1194 2.715,1195 2.854,1196 2.892,1197 2.762,1198 2.677,1199 4.127,1200 2.699,1201 2.736,1202 2.718,1203 2.687,1204 2.484,1205 3.674,1206 2.504,1207 2.315,1208 2.353,1209 2.316,1210 2.011,1211 3.628,1212 1.979,1213 0.198,1214 0.218,1215 0.282,1216 0.18,1217 0.136,1218 4.352,1219 0.182,1220 4.802,1221 0.197,1222 6.207,1223 0.424,1224 3.962,1225 0.134,1226 2.985,1227 4.005,1228 4.337,1229 9.32,1230 2.94,1231 1.898,1232 1.88,1233 1.996,1234 1.986,1235 1.086,1236 1.989,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.835,1242 1.745,1243 1.366,1244 1.344,1245 1.492,1246 1.568,1247 0.564,1248 1.533,1249 1.235,1250 1.222,1251 1.293,1252 1.502,1253 0.218,1254 1.472,1255 1.05,1256 1.075,1257 1.181,1258 1.239,1259 0.199,1260 1.213,1261 0.886,1262 0.821,1263 1.068,1264 1.062,1265 0.149,1266 1.107,1267 0.657,1268 0.637,1269 0.836,1270 0.991,1272 0.948,1273 0.298,1274 0.274,1275 0.552,1276 0.681,1278 0.645,1279 3.807,1281 5.13,1282 3.045,1283 6.616,1284 5.352,1285 8.173,1286 7.368,1287 9.77,1294 9.233,1296 2.179,1298 0.844,1305 21.175,1306 51.049,1307 101.72,1308 119.372,1309 130.881,1310 132.881,1311 132.881,1312 34.836,1313 6.609,1314 83.3,1315 111.54,1316 16,1317 12.117,1318 3.907,1319 3.248,1320 30.138,1321 66,1322 62,1323 0.23,1324 133.374,1325 235.43,1326 317.193,1327 5817,1329 14.113,1330 0.706,1331 0.547,1332 14.466,1333 10.938,1334 9.614,1335 0.437,1336 0.299,1337 5.742,1338 8.768,1339 5.583,1340 4.599,1341 10.022,1342 6.574,1343 9.009,1344 0.291,1345 0.165,1346 9.737,1347 5.116,1348 7.229,1349 0.185,1350 0.09,1351 7.949,1352 3.505,1353 5.942,1354 0.119,1355 0.048,1356 6.711,1357 2.424,1358 4.323,1359 0.079,1360 0.025,1361 4.877,1362 1.374,1363 0.361,1364 64.724,1365 0.262,1366 20.081,1367 0.628,1368 106,1369 388.55,1370 146.083,1371 388.867,1372 517.93,1373 360,1374 123,1375 357.572,1376 155.343,1377 373.298,1378 545.94,1379 351,1380 5.444}
{0 CHEMBL211768,1 2.045,2 10.24,3 5,4 24.998,5 82.894,6 11.252,7 0.407,8 3.692,9 3.733,10 3.596,11 3.234,12 5.101,13 3.288,14 4.194,15 4.239,16 4.133,17 3.578,18 6.21,19 3.637,20 4.246,21 4.326,22 3.868,23 3.568,24 5.702,25 3.605,26 4.259,27 4.352,28 3.906,29 3.503,30 5.91,31 3.569,32 4.329,33 4.453,34 3.891,35 3.483,36 5.935,37 3.542,38 4.175,39 4.294,40 3.702,41 3.321,42 5.739,43 3.397,44 4.055,45 4.166,46 3.719,47 3.162,48 6.039,49 3.225,50 3.915,51 4.05,52 3.59,53 3.064,54 5.574,55 3.137,56 0.459,57 0.662,58 1.453,59 3.2,60 65.898,61 1.969,62 1.219,63 1.318,64 4.616,65 5.283,66 158.809,67 3.375,68 0.97,69 0.893,70 9.264,71 6.137,72 126.118,73 4.31,74 1.068,75 1.004,76 6.733,77 5.77,78 136.636,79 4.372,80 1.381,81 1.142,82 12.562,83 6.591,84 178.781,85 5.069,86 1.098,87 0.976,88 9.061,89 5.399,90 144.608,91 3.846,92 1.206,93 0.807,94 7.923,95 4.71,96 160.325,97 3.701,98 0.898,99 0.903,100 10.065,101 4.754,102 144.245,103 3.136,104 39,105 40,106 0.376,107 0.716,108 0.813,109 0.878,110 0.9,111 0.9,112 3.267,113 0.83,114 -2.5,115 -2.53,116 -2.47,119 45.5,133 1,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 3,175 7,178 2,180 3,183 5,187 5,192 3,195 5,198 1,199 3,202 1,204 1,207 4,211 2,212 3,215 2,217 2,220 4,223 1,224 3,229 2,232 3,237 3,242 1,245 2,250 2,255 2,258 1,263 3,266 1,267 1,268 1,271 1,275 915,276 15.928,277 15.928,278 15.928,279 15.928,280 15.928,281 14.167,282 12.486,283 9.086,284 16.608,285 13.354,286 13.354,287 13.354,288 13.354,289 13.354,290 10.547,291 10.345,292 4.383,293 14.584,294 2.999,295 1.148,296 0.617,297 0.265,298 0.144,299 0.144,300 3.937,304 1,305 1,306 537,307 3.464,310 142.676,311 87.057,318 1.69,319 54.964,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 256,332 4.443,333 4.802,334 6.512,335 4.062,336 3.159,337 4.131,338 4.337,339 10.296,340 3.023,341 4.263,342 4.437,343 6.427,344 3.891,345 3.033,346 3.712,347 4.032,348 10.007,349 2.751,350 4.138,351 3.599,352 6.148,353 3.838,354 2.921,355 3.42,356 1.058,357 9.085,358 2.483,359 3.882,360 3.137,361 5.471,362 3.472,363 2.499,364 3.146,365 0.508,366 7.269,367 2.305,368 3.459,369 3.107,370 5.142,371 3.057,372 2.116,373 2.71,374 0.394,375 6.333,376 1.957,377 3.34,378 2.626,379 4.872,380 2.872,381 1.907,382 2.522,384 5.371,385 1.796,386 3.128,387 2.43,388 4.718,389 2.722,390 1.738,391 2.293,393 4.894,394 1.682,395 2.777,396 1.914,397 4.136,398 2.238,399 1.287,400 1.765,402 3.534,403 1.204,404 2.473,405 1.521,406 3.868,407 1.993,408 1.023,409 1.423,411 2.807,412 0.977,413 2.173,414 1.091,415 3.276,416 1.683,417 0.686,418 1.014,420 1.676,421 0.683,422 1.446,423 0.804,424 3.163,425 1.104,426 0.216,427 0.253,428 0.542,429 0.188,430 1.18,431 0.776,432 2.873,433 0.762,434 -0.161,435 -0.204,436 -0.473,437 -0.147,438 1,439 0.672,440 2.545,441 0.492,442 -0.473,443 -0.552,445 -1.337,446 -0.413,447 0.765,448 0.51,449 2.316,450 0.414,451 -0.598,452 -0.864,454 -1.423,455 -0.623,456 0.541,457 0.51,458 2,459 0.14,460 -0.821,461 -1,463 -2.354,464 -0.7,465 11.257,466 0.45,467 0.963,468 0.039,469 32,470 1.28,471 15.5,472 0.62,473 16.5,474 0.66,475 17.809,476 0.712,477 27.743,478 0.841,479 26.737,480 1.069,481 6.697,482 0.268,483 5.013,484 0.201,485 0.165,486 0.044,487 0.355,492 3,493 0.768,494 0.818,495 0.633,496 0.837,497 0.704,498 0.722,499 0.364,500 0.54,501 0.623,502 0.918,503 0.369,504 0.896,505 0.862,506 0.686,507 1.088,508 1.109,509 0.701,510 1.154,511 0.829,512 0.892,513 0.766,514 1.006,515 0.671,516 1.128,517 1.077,518 0.968,519 1.064,520 0.86,521 1.041,522 0.976,523 1.149,524 1.041,525 1.08,526 0.973,527 1.052,528 1.112,529 0.671,530 0.891,531 0.786,532 0.793,533 0.779,534 0.986,535 1.482,536 1.386,537 1.36,538 1.117,539 1.543,540 0.934,541 8,542 0.14,543 2.667,544 2.451,545 1.298,546 0.893,547 0.741,548 0.325,549 0.327,550 0.179,551 6935,552 35992,553 1.982,554 24.2,556 6,559 2,564 1.679,565 1.796,566 3.317,567 0.431,573 67.497,574 2.045,575 3.897,576 4.427,577 4.779,578 4.9,579 4.9,580 2.793,581 4.374,582 4.615,583 3.52,584 1056.12,585 7.976,586 12921.5,588 1,591 166.465,592 1.735,593 4.532,594 0.296,595 0.01,596 0.067,597 0.072,598 0.038,599 0.027,600 0.026,601 0.013,602 0.015,603 0.009,604 0.574,605 0.5,606 1,607 1.051,608 121.113,609 -0.125,610 -0.014,611 -0.022,612 0.059,613 -0.134,614 0.069,615 0.51,616 0.463,617 0.164,618 0.061,619 0.419,620 -0.094,621 -0.15,622 -0.071,623 -0.183,624 -0.161,625 -0.081,626 -0.145,627 -0.031,628 -0.167,629 0.045,630 -0.152,631 0.038,632 -0.135,633 -0.104,634 -0.019,635 -0.061,636 0.088,637 -0.147,638 0.091,639 -0.228,640 -0.155,641 -0.169,642 -0.084,643 -0.188,644 -0.088,645 0.353,646 0.058,647 0.215,648 0.137,649 0.248,650 0.06,651 -0.384,652 -0.131,653 -0.114,654 0.023,655 -0.356,656 0.151,657 6.118,658 4.472,659 0.64,660 22.592,661 1.084,662 1.138,663 1.273,664 1.62,665 0.713,666 3.332,667 3.714,668 3.871,669 4.159,670 4.263,671 4.317,672 4.5,673 4.522,674 4.575,675 4.635,676 6.25,677 0.744,678 371.31,679 3.332,680 4.905,681 5.733,682 6.635,683 7.482,684 8.38,685 9.236,686 10.131,687 10.994,688 11.886,689 3,696 1,704 5,707 1,709 5,711 11,728 1,729 1,731 33,733 14,734 1,735 27,737 35,738 15,739 10,740 3,741 3,742 3,746 3,747 3,761 14,762 1,766 3,771 2,773 1,775 3,779 3,780 1,781 8,782 9,783 2,784 10,785 1,790 1,792 1,794 1,795 5,811 2,812 1,831 2,837 1,840 3,842 1,846 3,848 25,853 1,855 1,856 1,857 1,860 1,869 3,870 15.2,872 1,873 2,875 2,877 13.917,878 5.962,879 5.208,880 1.692,881 2.852,882 1.403,883 0.959,884 4.646,885 9.935,886 3.597,887 4.201,888 4.683,889 5.268,890 5.7,891 6.031,892 6.465,893 6.815,894 7.117,895 7.436,896 0.857,897 34,898 9.909,900 4.91,901 8.777,902 15.999,904 12.876,905 3.277,906 81.917,910 70.627,911 127.546,912 18.011,914 113.48,915 44.88,916 32.22,917 95.327,918 184.107,919 62.891,921 18.011,922 56.857,923 99.229,924 73.817,925 13.967,926 102.846,927 9.817,928 70.627,929 113.337,930 158.361,931 32.22,933 70.627,934 113.48,935 44.88,936 9.817,937 18.011,938 74.482,939 11.027,940 32.22,941 115.507,942 131.491,943 127.546,946 80.444,947 60.871,948 56.857,949 18.011,950 158.361,951 70.627,952 176.372,953 127.546,955 0.603,956 0.314,957 0.17,958 0.088,959 20,960 10,961 0.086,962 3,964 1,965 3.629,966 203.064,968 16,969 111.342,970 1,974 17.61,975 6.596,976 4.255,978 176.372,979 5.812,982 5.403,984 -0.61,986 60.694,987 374.544,988 35.5,993 22.569,995 1.307,997 -0.974,999 35.771,1000 37.56,1001 0.405,1002 0.772,1003 0.878,1004 0.947,1005 0.971,1006 0.971,1007 4.873,1008 1.287,1009 5.79,1010 4.894,1011 4.394,1012 4.887,1013 4.128,1014 6.627,1015 4.246,1016 6.123,1017 1.023,1018 7.373,1019 3.534,1020 4.29,1021 4.856,1022 4.303,1023 7.719,1024 3.969,1025 7.457,1026 0.686,1027 9.053,1028 2.807,1029 6.08,1030 7.049,1031 6.794,1032 10.669,1033 5.773,1034 8.819,1035 0.216,1036 10.786,1037 1.676,1038 6.686,1039 7.725,1040 7.351,1041 12.485,1042 6.21,1043 10.203,1044 -0.161,1045 12.551,1046 0.542,1047 8.047,1048 9.471,1049 9.621,1050 15.017,1051 7.574,1052 11.603,1053 -0.473,1054 14.337,1055 -0.473,1056 8.945,1057 10.48,1058 10.303,1059 17.119,1060 8.338,1061 13.015,1062 -0.598,1063 16.139,1064 -1.337,1065 10.154,1066 12.038,1067 12.47,1068 19.508,1069 9.529,1070 3.159,1071 -0.821,1072 17.952,1073 -1.423,1074 11.178,1075 13.223,1076 13.242,1077 21.729,1078 10.452,1079 3.033,1080 10.296,1081 19.774,1082 -2.354,1083 12.33,1084 14.693,1085 15.328,1086 24.066,1087 11.572,1088 2.921,1089 10.007,1090 21.603,1091 4.131,1092 13.409,1093 15.974,1094 16.179,1095 26.338,1096 12.575,1097 2.499,1098 9.085,1099 23.438,1100 3.712,1101 14.541,1102 17.404,1103 18.191,1104 28.657,1105 13.669,1106 2.116,1107 7.269,1108 25.277,1109 3.42,1110 15.644,1111 18.738,1112 19.114,1113 30.951,1114 14.711,1115 1.907,1116 6.333,1117 27.12,1118 3.146,1119 16.771,1120 20.151,1121 21.06,1122 33.265,1123 15.797,1124 1.738,1125 5.371,1126 28.966,1127 2.71,1128 17.886,1129 21.515,1130 22.048,1131 35.569,1132 16.862,1133 6873,1134 15817,1135 17.107,1136 23.545,1137 42.118,1138 43.943,1139 42.281,1140 41.416,1141 41.169,1142 52.776,1143 20.659,1144 123.631,1145 38.097,1146 5.228,1147 6.802,1148 5.816,1149 5.155,1150 5.159,1151 7.131,1152 8.335,1153 17.048,1154 5.023,1155 15.795,1156 1.56,1157 1.628,1158 1.566,1159 1.534,1160 1.525,1161 1.955,1162 0.765,1163 4.579,1164 1.411,1165 4.028,1166 4.03,1167 4.088,1168 3.929,1169 8.516,1170 3.939,1171 3.818,1172 3.826,1173 3.939,1174 3.736,1175 7.999,1176 3.723,1177 3.659,1178 3.666,1179 3.69,1180 3.517,1181 7.999,1182 3.512,1183 3.404,1184 3.428,1185 3.44,1186 2.963,1187 7.449,1188 3.069,1189 3.039,1190 3.066,1191 3.038,1192 2.863,1193 7.409,1194 2.881,1195 2.886,1196 2.91,1197 2.906,1198 2.681,1199 6.469,1200 2.684,1201 2.828,1202 2.85,1203 2.817,1204 2.605,1205 5.063,1206 2.655,1207 2.72,1208 2.716,1209 2.67,1210 2.483,1211 4.679,1212 2.501,1213 0.165,1214 0.178,1215 0.241,1216 0.15,1217 0.117,1218 4.443,1219 0.153,1220 4.802,1221 0.161,1222 6.512,1223 0.381,1224 4.062,1225 0.112,1226 3.159,1227 4.131,1228 4.337,1229 10.296,1230 3.023,1231 1.89,1232 1.88,1233 1.968,1234 1.994,1235 1.083,1236 1.981,1237 1.638,1238 1.63,1239 1.717,1240 1.761,1241 0.835,1242 1.745,1243 1.371,1244 1.35,1245 1.497,1246 1.579,1247 0.572,1248 1.537,1249 1.236,1250 1.223,1251 1.298,1252 1.565,1253 0.236,1254 1.483,1255 1.073,1256 1.09,1257 1.132,1258 1.452,1259 0.164,1260 1.368,1261 1.018,1262 1.013,1263 1.075,1264 1.231,1265 0.087,1266 1.206,1267 0.753,1268 0.711,1269 0.869,1270 1.074,1272 1.026,1273 0.634,1274 0.607,1275 0.817,1276 0.913,1278 0.918,1279 4.007,1281 5.371,1282 3.045,1283 6.88,1284 5.352,1285 8.459,1286 7.368,1287 10.079,1291 36.877,1294 9.832,1296 2.076,1297 3.801,1298 0.693,1301 -4.868,1305 24.566,1306 67.497,1307 128.591,1308 146.1,1309 157.71,1310 161.71,1311 161.71,1312 69.04,1313 7.083,1314 92.53,1315 120.77,1316 16,1317 12.419,1318 3.907,1319 3.248,1320 41.836,1321 93,1322 86,1323 0.221,1324 150.557,1325 279.73,1326 359.12,1327 10667,1328 9.1,1329 18.19,1330 0.728,1331 0.516,1332 16.043,1333 12.903,1334 11.709,1335 0.434,1336 0.277,1337 6.53,1338 10.455,1339 6.438,1340 5.245,1341 10.971,1342 7.466,1343 12.074,1344 0.302,1345 0.145,1346 10.446,1347 5.796,1348 8.375,1349 0.178,1350 0.081,1351 8.772,1352 3.82,1353 7.302,1354 0.116,1355 0.043,1356 7.39,1357 2.697,1358 5.284,1359 0.075,1360 0.022,1361 5.437,1362 1.528,1363 0.347,1364 80.307,1365 0.242,1366 24.294,1367 0.606,1368 134,1369 720.618,1370 197.132,1371 615.952,1372 789.48,1373 566,1374 154,1375 531.845,1376 199.06,1377 524.87,1378 792.38,1379 490,1380 6.222}
{0 CHEMBL211819,1 1.792,2 8.762,3 2.613,4 6.825,5 77.014,6 10.11,7 0.478,8 3.575,9 3.622,10 3.418,11 3.184,12 4.941,13 3.192,14 3.991,15 4.039,16 3.863,17 3.539,18 5.444,19 3.544,20 4.18,21 4.268,22 3.72,23 3.504,24 5.608,25 3.508,26 4.124,27 4.237,28 3.643,29 3.387,30 5.643,31 3.393,32 4.073,33 4.19,34 3.605,35 3.347,36 5.597,37 3.331,38 3.952,39 4.079,40 3.306,41 3.187,42 5.384,43 3.165,44 3.726,45 3.902,46 3.085,47 3,48 5.009,49 2.921,50 3.499,51 3.621,52 3.217,53 2.886,54 4.892,55 2.844,56 0.214,57 0.39,58 3.18,59 2.723,60 26.954,61 2.02,62 0.308,63 0.606,64 5.48,65 4.324,66 29.224,67 3.571,68 0.54,69 0.682,70 11.567,71 5.79,72 70.697,73 4.395,74 0.612,75 0.641,76 9.968,77 5.144,78 84.469,79 4.582,80 0.659,81 0.617,82 11.137,83 5.173,84 72.641,85 4.868,86 0.536,87 0.552,88 9.447,89 4.395,90 61.016,91 3.646,92 0.347,93 0.455,94 8.477,95 3.838,96 52.493,97 3.915,98 0.243,99 0.375,100 7.929,101 3.326,102 38.506,103 2.851,104 17,105 33,106 0.336,107 0.687,108 0.797,109 0.881,110 0.919,111 0.919,112 3.103,113 0.876,114 -1.88,115 -1.93,116 -1.94,119 46.7,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 3,175 5,178 2,180 5,183 5,187 3,192 5,195 5,198 1,199 3,202 1,204 1,207 4,211 1,212 2,215 2,216 1,217 3,220 4,223 1,224 2,229 3,232 3,237 2,242 2,245 2,250 2,255 2,258 1,263 2,266 1,267 1,268 2,271 1,275 498,276 13.826,277 13.826,278 13.826,279 13.826,280 13.826,281 12.012,282 9.454,283 7.986,284 14.108,285 11.349,286 11.349,287 11.349,288 11.349,289 11.349,290 8.508,291 6.125,292 3.831,293 11.813,294 3.115,295 1.237,296 0.654,297 0.2,300 3.776,303 1,304 1,305 1,306 393,307 2.236,310 115.2,311 69.581,318 1.438,319 35.379,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 47.5,331 184,332 4.432,333 4.802,334 6.484,335 4.046,336 3.06,337 4.125,338 4.337,339 10.102,340 3.02,341 4.253,342 3.599,343 6.148,344 3.869,345 2.925,346 3.703,347 1.058,348 9.086,349 2.749,350 3.908,351 3.135,352 5.463,353 3.489,354 2.508,355 3.396,356 0.508,357 7.228,358 2.45,359 3.485,360 3.106,361 4.988,362 3.082,363 2.123,364 2.791,366 5.875,367 2.027,368 3.346,369 2.598,370 4.838,371 2.874,372 1.906,373 2.529,375 5.302,376 1.805,377 3.129,378 2.379,379 4.716,380 2.722,381 1.737,382 2.294,384 4.884,385 1.685,386 2.777,387 1.914,388 4.135,389 2.238,390 1.287,391 1.765,393 3.534,394 1.204,395 2.473,396 1.521,397 3.864,398 1.993,399 1.023,400 1.423,402 2.804,403 0.977,404 2.173,405 1.09,406 3.276,407 1.683,408 0.686,409 1.014,411 1.675,412 0.683,413 1.369,414 0.803,415 2.875,416 1.015,417 0.102,418 0.123,420 0.226,421 0.092,422 1.175,423 0.707,424 2.559,425 0.75,426 -0.175,427 -0.223,428 -0.502,429 -0.159,430 1,431 0.505,432 2.366,433 0.487,434 -0.593,435 -0.842,436 -1.361,437 -0.617,438 0.69,439 0.179,440 2,441 0.269,442 -0.707,443 -0.917,445 -1.966,446 -0.677,447 0.448,448 -0.395,449 1.919,450 0.064,451 -0.946,452 -1.183,454 -2.433,455 -0.892,456 0.208,457 -0.58,458 1.831,459 -0.107,460 -1,461 -1.267,463 -2.654,464 -0.928,465 9.9,466 0.471,467 0.647,468 0.031,469 29,470 1.381,471 15.5,472 0.738,473 13.5,474 0.643,475 13.233,476 0.63,477 21.9,478 0.73,479 20.576,480 0.98,481 5.895,482 0.281,483 4.13,484 0.197,485 0.135,487 0.404,493 0.904,494 0.865,495 0.696,496 0.714,497 0.795,498 0.651,499 0.651,500 1.125,501 0.702,502 1.088,503 0.591,504 0.923,505 1.22,506 1.084,507 1.133,508 1.152,509 1.097,510 1.109,511 0.923,512 0.97,513 0.777,514 0.93,515 0.783,516 1.024,517 0.755,518 0.869,519 0.881,520 0.886,521 0.636,522 0.947,523 1.152,524 0.973,525 1.105,526 0.916,527 1.045,528 1.113,529 0.872,530 0.883,531 0.895,532 0.836,533 1.014,534 1.008,535 0.901,536 1.129,537 1.124,538 1.202,539 1.073,540 0.89,541 5.5,542 0.074,543 2.444,544 1.951,545 1.018,546 0.636,547 0.336,548 0.209,549 0.184,550 0.159,551 4375,552 17740,553 2.045,554 30,556 6,559 3,564 1.629,565 1.881,566 3.123,567 1.156,569 1,571 1,573 53.765,574 1.792,575 3.67,576 4.253,577 4.707,578 4.907,579 4.907,580 2.498,581 3.594,582 4.367,583 3.279,584 688.546,585 7.468,586 7348.47,587 1,588 1,589 1,590 1,591 147.207,592 1.51,593 4.305,594 0.239,595 0.008,596 0.074,597 0.067,598 0.039,599 0.025,600 0.018,601 0.015,602 0.012,603 0.011,604 0.509,605 0.5,606 1,607 0.665,608 94.971,609 -0.184,610 0.129,611 -0.022,612 0.164,613 -0.169,614 0.127,615 0.073,616 -0.135,617 0.099,618 -0.144,619 0.032,620 -0.106,621 -0.243,622 -0.168,623 -0.212,624 -0.188,625 -0.187,626 -0.176,627 0.055,628 -0.062,629 0.064,630 -0.054,631 0.066,632 -0.054,633 0.238,634 0.063,635 0.087,636 0.071,637 0.158,638 0.062,639 -0.162,640 -0.032,641 -0.211,642 -0.015,643 -0.13,644 -0.127,645 -0.076,646 0.055,647 0.143,648 0.135,649 -0.1,650 0.138,651 -0.062,652 -0.106,653 0.196,654 -0.001,655 -0.106,656 0.19,657 2.136,658 4.429,659 0.762,660 15.537,661 1.045,662 1.104,663 0.645,664 0.416,665 0.732,666 3.178,667 3.526,668 3.761,669 4.025,670 4.127,671 4.094,672 4.205,673 4.277,674 4.331,675 4.369,676 5.409,677 0.73,678 303.31,679 3.178,680 4.727,681 5.572,682 6.457,683 7.319,684 8.202,685 9.072,686 9.953,687 10.826,688 11.706,689 3.3,696 1,704 5,707 1,709 5,711 11,728 2,731 30,733 14,734 1,735 23,737 32,738 14,739 10,740 3,741 3,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,777 1,778 1,780 1,781 9,782 6,783 3,784 7,785 1,790 1,792 1,794 1,795 5,811 2,812 1,831 2,837 1,840 3,842 1,848 21,853 2,855 1,857 1,870 16.7,872 2,873 2,875 1,877 11.167,878 5.317,879 4.5,880 1.551,881 2.821,882 1.42,883 0.944,884 3.59,885 9.542,886 3.481,887 4.09,888 4.626,889 5.195,890 5.622,891 5.901,892 6.294,893 6.666,894 6.969,895 7.262,896 0.833,897 29,898 7.744,900 3.446,901 8.317,902 13.917,904 11.352,905 2.817,906 59.167,910 70.627,911 112.485,912 18.011,914 145.164,916 32.22,917 80.266,918 215.79,919 18.011,921 18.011,922 56.857,923 141.912,924 12.693,925 13.967,926 102.846,928 70.627,929 98.277,930 145.164,931 32.22,933 70.627,934 145.164,937 18.011,938 69.239,939 11.027,940 32.22,941 70.627,942 163.175,943 112.485,946 70.627,947 55.628,948 56.857,949 18.011,950 145.164,951 70.627,952 163.175,953 112.485,955 0.594,956 0.34,957 0.183,958 0.095,959 17,960 8,961 0.063,962 2,964 1,965 3.336,966 160.185,968 16,969 92.239,970 1,974 13.947,975 5.405,976 2.875,978 163.175,979 7.272,982 5.499,984 0.99,986 103.377,987 346.287,988 31.5,993 22.49,995 1.439,997 -0.659,999 31.349,1000 33.126,1001 0.365,1002 0.748,1003 0.867,1004 0.959,1005 1,1006 1,1007 4.725,1008 1.023,1009 5.58,1010 3.534,1011 4.205,1012 4.775,1013 3.666,1014 6.385,1015 4.131,1016 5.956,1017 0.686,1018 7.14,1019 2.804,1020 3.892,1021 4.649,1022 2.89,1023 7.235,1024 3.78,1025 7.274,1026 0.102,1027 8.791,1028 1.675,1029 5.802,1030 6.949,1031 6.42,1032 10.314,1033 5.667,1034 8.623,1035 -0.175,1036 10.494,1037 0.226,1038 6.256,1039 7.586,1040 6.24,1041 11.972,1042 6.08,1043 9.999,1044 -0.593,1045 12.23,1046 -0.502,1047 7.673,1048 9.383,1049 9.282,1050 14.56,1051 7.483,1052 11.392,1053 -0.707,1054 13.99,1055 -1.361,1056 8.474,1057 10.383,1058 9.437,1059 16.571,1060 8.245,1061 12.8,1062 -0.946,1063 15.768,1064 -1.966,1065 9.698,1066 11.966,1067 12.158,1068 18.977,1069 9.455,1070 3.06,1071 -1,1072 17.56,1073 -2.433,1074 10.66,1075 13.151,1076 12.55,1077 21.144,1078 10.384,1079 2.925,1080 10.102,1081 19.363,1082 -2.654,1083 11.806,1084 14.635,1085 15.039,1086 23.48,1087 11.515,1088 2.508,1089 9.086,1090 21.176,1091 4.125,1092 12.842,1093 15.918,1094 15.615,1095 25.717,1096 12.523,1097 2.123,1098 7.228,1099 22.996,1100 3.703,1101 13.959,1102 17.356,1103 17.926,1104 28.026,1105 13.624,1106 1.906,1107 5.875,1108 24.823,1109 3.396,1110 15.029,1111 18.692,1112 18.648,1113 30.294,1114 14.671,1115 1.737,1116 5.302,1117 26.654,1118 2.791,1119 16.134,1120 20.11,1121 20.819,1122 32.595,1123 15.761,1124 1.287,1125 4.884,1126 28.49,1127 2.529,1128 17.221,1129 21.475,1130 21.659,1131 34.879,1132 16.828,1133 4288,1134 8759,1135 15.027,1136 21.972,1137 35.299,1138 38.659,1139 36.183,1140 34.716,1141 34.716,1142 46.325,1143 11.807,1144 101.433,1145 33.383,1146 5.209,1147 6.802,1148 5.807,1149 5.139,1150 5.06,1151 7.125,1152 8.335,1153 16.845,1154 5.02,1155 11.319,1156 1.535,1157 1.681,1158 1.573,1159 1.509,1160 1.509,1161 2.014,1162 0.513,1163 4.41,1164 1.451,1165 4.024,1166 4.026,1167 4.087,1168 3.927,1169 7.449,1170 3.936,1171 3.811,1172 3.82,1173 3.931,1174 3.735,1175 7.409,1176 3.72,1177 3.651,1178 3.658,1179 3.665,1180 3.515,1181 6.484,1182 3.509,1183 3.055,1184 3.075,1185 3.043,1186 2.878,1187 6.455,1188 2.895,1189 2.997,1190 3.009,1191 2.945,1192 2.756,1193 5.056,1194 2.784,1195 2.829,1196 2.855,1197 2.883,1198 2.671,1199 4.404,1200 2.678,1201 2.72,1202 2.716,1203 2.67,1204 2.484,1205 4.129,1206 2.502,1207 2.377,1208 2.421,1209 2.313,1210 2.011,1211 3.663,1212 1.981,1213 0.193,1214 0.209,1215 0.282,1216 0.176,1217 0.133,1218 4.432,1219 0.179,1220 4.802,1221 0.189,1222 6.484,1223 0.439,1224 4.046,1225 0.131,1226 3.06,1227 4.125,1228 4.337,1229 10.102,1230 3.02,1231 1.888,1232 1.877,1233 1.969,1234 1.987,1235 1.073,1236 1.979,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.835,1242 1.745,1243 1.368,1244 1.344,1245 1.497,1246 1.568,1247 0.569,1248 1.533,1249 1.235,1250 1.222,1251 1.298,1252 1.499,1253 0.236,1254 1.473,1255 1.051,1256 1.074,1257 1.123,1258 1.239,1259 0.164,1260 1.212,1261 0.88,1262 0.856,1263 1.056,1264 1.193,1265 0.057,1266 1.149,1267 0.654,1268 0.622,1269 0.838,1270 0.914,1272 0.919,1273 0.297,1274 0.273,1275 0.615,1276 0.733,1278 0.694,1279 3.85,1281 5.187,1282 3.045,1283 6.688,1284 5.352,1285 8.266,1286 7.368,1287 9.888,1294 19.2,1296 2.144,1298 0.791,1305 21.89,1306 53.765,1307 110.087,1308 127.597,1309 141.207,1310 147.207,1311 147.207,1312 44.515,1313 6.721,1314 103.53,1315 131.77,1316 16,1317 12.243,1318 3.907,1319 3.248,1320 32.275,1321 70,1322 58,1323 0.236,1324 137.37,1325 244.22,1326 326.944,1327 6662,1329 14.983,1330 0.713,1331 0.538,1332 15.336,1333 11.308,1334 10.025,1335 0.436,1336 0.292,1337 5.867,1338 9.112,1339 5.718,1340 4.697,1341 10.433,1342 6.715,1343 9.548,1344 0.289,1345 0.16,1346 10.277,1347 5.27,1348 7.628,1349 0.182,1350 0.086,1351 8.348,1352 3.598,1353 6.379,1354 0.116,1355 0.046,1356 7.147,1357 2.509,1358 4.774,1359 0.078,1360 0.023,1361 5.328,1362 1.418,1363 0.367,1364 67.766,1365 0.258,1366 20.784,1367 0.655,1368 112,1369 428.699,1370 154.186,1371 425.125,1372 562.2,1373 392,1374 131,1375 387.602,1376 165.336,1377 402.407,1378 589.51,1379 378,1380 7}
{0 CHEMBL212119,1 1.916,2 8.762,3 3.544,4 12.562,5 80.125,6 11.095,7 0.478,8 3.537,9 3.58,10 3.466,11 3.209,12 4.874,13 3.2,14 3.971,15 4.015,16 3.927,17 3.573,18 5.404,19 3.558,20 4.147,21 4.23,22 3.798,23 3.546,24 5.552,25 3.521,26 4.06,27 4.154,28 3.724,29 3.414,30 5.592,31 3.399,32 4.02,33 4.126,34 3.75,35 3.368,36 5.495,37 3.343,38 3.878,39 4.001,40 3.417,41 3.245,42 5.277,43 3.178,44 3.63,45 3.785,46 3.154,47 3.002,48 4.93,49 2.911,50 3.438,51 3.543,52 3.282,53 2.917,54 4.83,55 2.853,56 0.187,57 0.357,58 1.619,59 2.332,60 20.273,61 1.836,62 0.305,63 0.564,64 3.206,65 3.88,66 26.247,67 3.243,68 0.524,69 0.631,70 12.397,71 5.707,72 61.483,73 4.491,74 0.578,75 0.578,76 8.276,77 4.771,78 74.118,79 4.079,80 0.608,81 0.567,82 10.577,83 4.997,84 58.321,85 4.467,86 0.462,87 0.496,88 10.282,89 4.309,90 46.609,91 3.87,92 0.314,93 0.402,94 7.763,95 3.501,96 43.846,97 3.45,98 0.223,99 0.34,100 8.041,101 3.198,102 31.865,103 2.736,104 17,105 33,106 0.361,107 0.714,108 0.827,109 0.903,110 0.916,111 0.916,112 3.103,113 0.921,114 -2.9,115 -2.91,116 -2.81,119 48.3,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 3,175 5,178 2,180 3,183 7,187 3,192 3,195 7,198 1,199 3,202 1,204 1,207 4,211 1,212 3,215 1,217 3,220 5,223 1,224 2,229 2,232 4,237 2,242 1,245 3,250 2,255 2,258 1,263 2,266 1,267 1,268 1,271 2,275 498,276 13.826,277 13.826,278 13.826,279 13.826,280 13.826,281 12.012,282 8.899,283 7.986,284 14.204,285 11.349,286 11.349,287 11.349,288 11.349,289 11.349,290 8.508,291 5.604,292 3.831,293 12.002,294 2.941,295 1.073,296 0.469,297 0.069,300 3.776,301 1,304 1,305 1,306 393,307 2.236,310 115.2,311 69.581,318 1.438,319 32.318,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 46.833,331 184,332 4.432,333 4.802,334 6.484,335 4.043,336 3.06,337 4.125,338 4.337,339 10.102,340 3.009,341 4.253,342 3.599,343 6.148,344 3.868,345 2.925,346 3.703,347 1.058,348 9.086,349 2.746,350 3.908,351 3.171,352 5.463,353 3.479,354 2.508,355 3.396,356 0.508,357 7.228,358 2.425,359 3.485,360 3.112,361 4.988,362 3.027,363 2.123,364 2.791,366 5.875,367 1.9,368 3.346,369 2.769,370 4.838,371 2.861,372 1.906,373 2.529,375 5.302,376 1.748,377 3.129,378 2.487,379 4.716,380 2.716,381 1.737,382 2.294,384 4.884,385 1.634,386 2.777,387 1.914,388 4.135,389 2.238,390 1.287,391 1.765,393 3.534,394 1.204,395 2.473,396 1.521,397 3.864,398 1.993,399 1.023,400 1.423,402 2.804,403 0.977,404 2.173,405 1.091,406 3.276,407 1.683,408 0.686,409 1.014,411 1.675,412 0.683,413 1.369,414 0.803,415 2.875,416 0.962,417 0.102,418 0.123,420 0.226,421 0.077,422 1.175,423 0.738,424 2.559,425 0.743,426 -0.175,427 -0.223,428 -0.502,429 -0.156,430 1,431 0.635,432 2.366,433 0.487,434 -0.593,435 -0.842,436 -1.361,437 -0.535,438 0.69,439 0.185,440 2,441 0.242,442 -0.707,443 -0.917,445 -1.966,446 -0.626,447 0.448,448 -0.233,449 1.919,450 0.064,451 -0.946,452 -1.183,454 -2.433,455 -0.825,456 0.208,457 -0.577,458 1.831,459 -0.225,460 -1,461 -1.267,463 -2.654,464 -0.925,465 10.281,466 0.49,467 0.647,468 0.031,469 28.5,470 1.357,471 15,472 0.714,473 13.5,474 0.643,475 14.174,476 0.675,477 21.519,478 0.742,479 19.636,480 0.935,481 5.727,482 0.273,483 4.297,484 0.205,485 0.167,487 0.389,493 0.808,494 0.885,495 0.589,496 0.676,497 0.699,498 0.632,499 0.651,500 1.103,501 0.658,502 0.994,503 0.585,504 0.877,505 1.239,506 1.061,507 1.19,508 1.163,509 1.088,510 1.127,511 0.973,512 0.972,513 0.848,514 0.922,515 0.795,516 1.038,517 0.818,518 0.862,519 0.823,520 0.923,521 0.698,522 0.925,523 0.992,524 0.991,525 1.243,526 0.997,527 0.894,528 1.175,529 0.947,530 0.886,531 0.974,532 0.863,533 1.116,534 1.035,535 0.926,536 1.149,537 1.219,538 1.255,539 1.096,540 0.932,541 5.5,542 0.074,543 2.444,544 1.951,545 1.018,546 0.636,547 0.336,548 0.209,549 0.184,550 0.159,551 4375,552 18800,553 2.045,554 27.6,556 6,559 2,564 1.629,565 1.881,566 3.123,567 0.425,569 1,571 1,573 55.578,574 1.916,575 3.785,576 4.389,577 4.789,578 4.858,579 4.858,580 2.498,581 3.594,582 4.367,583 3.279,584 688.546,585 7.468,586 7348.47,587 1,588 1,589 1,590 1,591 140.881,592 1.51,593 4.305,594 0.239,595 0.008,596 0.074,597 0.067,598 0.039,599 0.025,600 0.018,601 0.015,602 0.012,603 0.011,604 0.509,605 0.5,606 1,607 0.665,608 94.971,609 -0.138,610 0.086,611 -0.017,612 0.112,613 -0.127,614 0.09,615 0.08,616 -0.134,617 0.057,618 -0.124,619 0.036,620 -0.104,621 -0.254,622 -0.156,623 -0.241,624 -0.2,625 -0.18,626 -0.18,627 0.042,628 -0.062,629 -0.019,630 -0.044,631 0.081,632 -0.091,633 0.204,634 0.078,635 0.132,636 0.049,637 0.098,638 0.096,639 -0.085,640 -0.053,641 -0.213,642 -0.063,643 -0.054,644 -0.138,645 -0.121,646 0.07,647 0.03,648 0.129,649 -0.141,650 0.109,651 -0.082,652 -0.122,653 0.019,654 -0.059,655 -0.107,656 0.143,657 2.117,658 4.444,659 0.762,660 15.537,661 1.046,662 1.099,663 1.673,664 2.799,665 0.772,666 3.178,667 3.526,668 3.761,669 4.025,670 4.127,671 4.094,672 4.205,673 4.277,674 4.331,675 4.369,676 5.409,677 0.759,678 321.75,679 3.178,680 4.727,681 5.572,682 6.457,683 7.319,684 8.202,685 9.072,686 9.953,687 10.826,688 11.706,689 3.4,696 1,704 5,707 1,709 5,711 11,728 1,730 1,731 29,733 14,734 1,735 23,737 31,738 14,739 10,740 3,741 3,742 3,746 3,747 3,748 1,761 14,766 3,771 2,773 1,775 3,778 1,780 1,781 8,782 5,783 2,784 7,785 2,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,845 1,848 21,853 1,855 1,857 1,869 1,870 13.8,872 1,873 2,875 1,877 11.167,878 5.26,879 4.5,880 1.537,881 2.821,882 1.42,883 0.975,884 3.8,885 9.542,886 3.481,887 4.09,888 4.626,889 5.195,890 5.622,891 5.901,892 6.294,893 6.666,894 6.969,895 7.262,896 0.833,897 29,898 7.731,900 3.413,901 8.228,902 14.002,904 11.418,905 2.728,906 57.278,910 70.627,911 115.986,912 18.011,913 39.149,914 102.481,916 32.22,917 83.767,918 212.256,919 18.011,921 18.011,922 56.857,923 99.229,924 16.194,925 13.967,926 102.846,927 39.149,928 70.627,929 101.777,930 102.481,931 71.368,933 70.627,934 102.481,937 18.011,938 72.74,939 50.176,940 32.22,941 70.627,942 120.491,943 155.135,946 70.627,947 59.129,948 56.857,949 18.011,950 141.629,951 70.627,952 120.491,953 155.135,955 0.594,956 0.34,957 0.183,958 0.095,959 17,960 8,961 0.065,962 2,964 1,965 3.336,966 160.185,968 16,969 92.239,970 1,974 14.257,975 5.598,976 2.998,978 120.491,979 7.901,982 5.551,984 1.77,986 60.694,987 346.253,988 31.5,993 22.519,995 1.468,997 -0.602,999 30.346,1000 31.861,1001 0.395,1002 0.779,1003 0.903,1004 0.986,1005 1,1006 1,1007 4.725,1008 1.023,1009 5.58,1010 3.534,1011 4.205,1012 4.775,1013 3.666,1014 6.385,1015 4.105,1016 5.956,1017 0.686,1018 7.14,1019 2.804,1020 3.892,1021 4.649,1022 2.89,1023 7.235,1024 3.724,1025 7.274,1026 0.102,1027 8.791,1028 1.675,1029 5.802,1030 6.949,1031 6.42,1032 10.314,1033 5.631,1034 8.623,1035 -0.175,1036 10.494,1037 0.226,1038 6.256,1039 7.586,1040 6.24,1041 11.972,1042 6.029,1043 9.999,1044 -0.593,1045 12.23,1046 -0.502,1047 7.673,1048 9.383,1049 9.282,1050 14.56,1051 7.444,1052 11.392,1053 -0.707,1054 13.99,1055 -1.361,1056 8.474,1057 10.383,1058 9.437,1059 16.571,1060 8.201,1061 12.8,1062 -0.946,1063 15.768,1064 -1.966,1065 9.698,1066 11.966,1067 12.158,1068 18.977,1069 9.417,1070 3.06,1071 -1,1072 17.56,1073 -2.433,1074 10.66,1075 13.151,1076 12.55,1077 21.144,1078 10.342,1079 2.925,1080 10.102,1081 19.363,1082 -2.654,1083 11.806,1084 14.635,1085 15.039,1086 23.48,1087 11.476,1088 2.508,1089 9.086,1090 21.176,1091 4.125,1092 12.842,1093 15.918,1094 15.615,1095 25.717,1096 12.481,1097 2.123,1098 7.228,1099 22.996,1100 3.703,1101 13.959,1102 17.356,1103 17.926,1104 28.026,1105 13.582,1106 1.906,1107 5.875,1108 24.823,1109 3.396,1110 15.029,1111 18.692,1112 18.648,1113 30.294,1114 14.626,1115 1.737,1116 5.302,1117 26.654,1118 2.791,1119 16.134,1120 20.11,1121 20.819,1122 32.595,1123 15.715,1124 1.287,1125 4.884,1126 28.49,1127 2.529,1128 17.221,1129 21.475,1130 21.659,1131 34.879,1132 16.779,1133 4288,1134 9007,1135 15.027,1136 22.375,1137 35.299,1138 38.758,1139 36.183,1140 34.785,1141 34.716,1142 46.325,1143 11.807,1144 101.433,1145 32.805,1146 5.209,1147 6.802,1148 5.807,1149 5.136,1150 5.06,1151 7.125,1152 8.335,1153 16.845,1154 5.009,1155 11.319,1156 1.535,1157 1.685,1158 1.573,1159 1.512,1160 1.509,1161 2.014,1162 0.513,1163 4.41,1164 1.426,1165 4.024,1166 4.026,1167 4.098,1168 3.936,1169 7.449,1170 3.941,1171 3.811,1172 3.819,1173 4.008,1174 3.743,1175 7.409,1176 3.725,1177 3.65,1178 3.657,1179 3.759,1180 3.521,1181 6.469,1182 3.512,1183 3.046,1184 3.07,1185 3.323,1186 2.889,1187 5.07,1188 2.899,1189 2.962,1190 2.97,1191 3.033,1192 2.8,1193 4.862,1194 2.8,1195 2.829,1196 2.854,1197 2.896,1198 2.673,1199 4.169,1200 2.678,1201 2.72,1202 2.716,1203 2.67,1204 2.484,1205 4.078,1206 2.502,1207 2.316,1208 2.35,1209 2.433,1210 2.011,1211 3.663,1212 1.98,1213 0.193,1214 0.209,1215 0.282,1216 0.176,1217 0.133,1218 4.432,1219 0.179,1220 4.802,1221 0.189,1222 6.484,1223 0.439,1224 4.043,1225 0.131,1226 3.06,1227 4.125,1228 4.337,1229 10.102,1230 3.009,1231 1.891,1232 1.881,1233 1.955,1234 1.971,1235 1.082,1236 1.971,1237 1.638,1238 1.63,1239 1.716,1240 1.76,1241 0.835,1242 1.745,1243 1.368,1244 1.344,1245 1.494,1246 1.568,1247 0.571,1248 1.532,1249 1.235,1250 1.222,1251 1.297,1252 1.487,1253 0.236,1254 1.468,1255 1.051,1256 1.074,1257 1.113,1258 1.233,1259 0.164,1260 1.208,1261 0.865,1262 0.843,1263 1.007,1264 1.105,1265 0.069,1266 1.085,1267 0.651,1268 0.62,1269 0.832,1270 0.913,1272 0.918,1273 0.297,1274 0.273,1275 0.538,1276 0.676,1278 0.641,1279 3.85,1281 5.187,1282 3.045,1283 6.688,1284 5.352,1285 8.266,1286 7.368,1287 9.888,1290 5.888,1294 9.812,1296 2.16,1298 0.81,1305 22.002,1306 55.578,1307 109.762,1308 127.272,1309 138.881,1310 140.881,1311 140.881,1312 41.71,1313 6.721,1314 83.3,1315 111.54,1316 16,1317 12.243,1318 3.907,1319 3.248,1320 32.275,1321 70,1322 58,1323 0.236,1324 141.707,1325 250.64,1326 337.525,1327 6662,1328 3.4,1329 14.983,1330 0.713,1331 0.571,1332 15.836,1333 11.995,1334 10.025,1335 0.436,1336 0.307,1337 5.877,1338 8.874,1339 5.685,1340 4.658,1341 10.722,1342 7.058,1343 9.548,1344 0.289,1345 0.172,1346 10.685,1347 5.667,1348 7.628,1349 0.182,1350 0.091,1351 8.61,1352 3.812,1353 6.379,1354 0.116,1355 0.048,1356 7.367,1357 2.665,1358 4.774,1359 0.078,1360 0.026,1361 5.672,1362 1.572,1363 0.367,1364 70.364,1365 0.258,1366 20.784,1367 0.655,1368 112,1369 422.753,1370 167.602,1371 450.871,1372 589.88,1373 416,1374 131,1375 385.435,1376 173.433,1377 410.743,1378 602.69,1379 386,1380 6.264}
{0 CHEMBL2151048,1 1.925,2 10.88,3 1.608,4 2.586,5 92.27,6 10.031,7 0.222,8 3.845,9 3.953,10 3.649,11 3.343,12 5.031,13 3.357,14 4.386,15 4.541,16 4.064,17 3.714,18 5.623,19 3.708,20 4.639,21 4.833,22 4.219,23 3.825,24 5.874,25 3.796,26 4.56,27 4.776,28 4.019,29 3.749,30 5.79,31 3.681,32 4.516,33 4.722,34 3.845,35 3.672,36 5.738,37 3.625,38 4.463,39 4.648,40 3.974,41 3.579,42 5.87,43 3.559,44 4.409,45 4.623,46 3.707,47 3.474,48 5.768,49 3.423,50 4.254,51 4.477,52 3.752,53 3.315,54 5.484,55 3.297,56 0.169,57 0.685,58 4.457,59 3.486,60 14.926,61 3.844,62 0.502,63 1.059,64 12.274,65 6.014,66 33.532,67 6.756,68 0.846,69 1.252,70 28.205,71 7.65,72 76.235,73 8.092,74 0.683,75 1.111,76 25.018,77 7.785,78 64.435,79 9.814,80 0.674,81 0.987,82 26.821,83 7.113,84 70.486,85 8.494,86 0.751,87 0.931,88 19.369,89 6.618,90 98.409,91 7.533,92 0.815,93 0.856,94 26.633,95 6.241,96 107.712,97 7.34,98 0.621,99 0.76,100 20.232,101 4.941,102 68.43,103 5.832,104 17,105 37,106 0.341,107 0.707,108 0.825,109 0.854,110 0.854,111 0.854,112 3.266,113 0.942,114 -3.8,115 -3.77,116 -3.58,117 1,119 39,121 1,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 1,175 5,178 3,180 5,183 2,186 1,192 1,195 2,198 3,199 4,202 3,203 1,204 1,207 4,211 1,212 2,220 1,223 2,224 4,227 2,229 3,232 1,236 1,237 2,240 1,242 1,250 5,255 1,258 2,262 1,263 2,266 1,271 1,275 920,276 16.602,277 16.602,278 16.602,279 16.602,280 16.602,281 15.073,282 23.094,283 9.9,284 17.179,285 13.355,286 13.355,287 13.355,288 13.355,289 13.355,290 10.945,291 29.197,292 4.775,293 14.359,294 3.433,295 1.365,296 0.701,297 0.537,298 0.537,299 0.537,300 3.946,304 1,305 1,306 579,307 2.915,311 261.763,318 1.584,319 37.789,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.25,331 272,332 4.266,333 3.682,334 6.202,335 3.893,336 2.952,337 3.875,338 2.028,339 9.329,340 2.781,341 4.22,342 3.517,343 5.958,344 3.766,345 2.842,346 3.634,347 1.408,348 8.381,349 2.623,350 3.793,351 3.278,352 5.553,353 3.499,354 2.551,355 3.03,356 0.993,357 7.508,358 2.392,359 3.572,360 3.122,361 5.309,362 3.292,363 2.336,364 2.746,365 0.86,366 6.747,367 2.218,368 3.423,369 2.788,370 4.901,371 3.011,372 2.032,373 2.589,374 0.849,375 5.686,376 1.934,377 3.195,378 2.389,379 4.522,380 2.708,381 1.745,382 2.322,383 0.25,384 4.65,385 1.672,386 2.888,387 2.287,388 4.335,389 2.601,390 1.662,391 1.948,392 0.129,393 4.191,394 1.534,395 2.82,396 2.08,397 4.039,398 2.308,399 1.414,400 1.873,402 3.521,403 1.175,404 2.213,405 1.554,406 3.49,407 1.952,408 1.069,409 1.153,411 2.607,412 0.946,413 2,414 1.256,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.534,423 0.884,424 3.021,425 1.167,426 0.284,427 0.335,428 0.662,429 0.228,430 1.293,431 0.768,432 2.59,433 0.828,434 -0.112,435 -0.125,436 -0.306,437 -0.089,438 1,439 0.692,440 2.526,441 0.621,442 -0.378,443 -0.481,445 -0.965,446 -0.299,447 0.959,448 0.334,449 2.374,450 0.487,451 -0.41,452 -0.51,454 -1.048,455 -0.38,456 0.632,457 -0.141,458 2.195,459 0.378,460 -0.597,461 -0.74,463 -1.406,464 -0.57,465 12.219,466 0.489,467 0.664,468 0.027,469 29.5,470 1.18,471 12.5,472 0.5,473 17,474 0.68,475 21.429,476 0.857,477 27.381,478 0.668,479 21.534,480 0.861,481 6.008,482 0.24,483 6,484 0.24,485 0.187,487 0.319,491 1,493 0.719,494 1.295,495 0.486,496 0.93,497 0.536,498 0.885,499 0.836,500 1.095,501 0.578,502 0.853,503 0.571,504 0.908,505 1.186,506 1.013,507 0.881,508 0.867,509 1.039,510 0.93,511 0.594,512 0.89,513 0.712,514 0.965,515 0.702,516 1.034,517 0.897,518 0.773,519 0.826,520 0.93,521 1.007,522 0.982,523 0.961,524 0.971,525 0.567,526 0.942,527 1.124,528 1.015,529 0.952,530 0.858,531 0.918,532 0.893,533 1.002,534 0.962,535 1.279,536 0.912,537 0.646,538 0.732,539 1.252,540 0.748,541 6,542 0.116,543 2.222,544 1.813,545 1.178,546 0.875,547 0.446,548 0.29,549 0.234,550 0.162,551 7341,552 27336,553 2.038,554 39,556 12,559 2,560 2,564 1.678,565 1.899,566 3.425,567 0.391,568 1,569 1,573 78.905,574 1.925,575 3.992,576 4.656,577 4.821,578 4.821,579 4.821,580 2.869,581 4.484,582 4.618,583 3.564,584 1069.13,585 7.975,586 13238.2,588 1,590 1,591 219.66,592 1.44,593 4.569,594 0.222,595 0.007,596 0.06,597 0.05,598 0.037,599 0.029,600 0.015,601 0.012,602 0.011,603 0.008,604 0.452,605 0.33,606 1,607 0.609,608 121.769,609 -0.089,610 -0.219,612 -0.072,613 -0.032,614 -0.016,615 -0.028,616 -0.104,617 0.017,618 0.001,619 0.037,620 -0.02,621 -0.22,622 -0.027,623 -0.019,624 0.038,625 -0.127,626 -0.016,627 0.165,628 0.03,629 0.029,630 -0.064,631 0.075,632 -0.045,633 -0.065,634 0.025,635 -0.059,636 -0.039,637 -0.088,638 -0.017,639 0.042,640 -0.123,641 0.052,642 -0.089,643 0.045,644 -0.086,645 0.036,646 -0.03,647 -0.063,648 0.008,649 0.057,650 -0.003,651 -0.201,652 -0.006,653 0.092,654 0.145,655 -0.16,656 0.211,657 2.081,658 5.226,659 0.72,660 21.472,661 1.032,662 1.139,663 2.574,664 6.624,665 0.683,666 3.332,667 3.638,668 3.829,669 4.06,670 4.248,671 4.234,672 4.248,673 4.29,674 4.277,675 4.317,676 6.405,677 0.666,678 411.26,679 3.332,680 4.86,681 5.68,682 6.541,683 7.376,684 8.239,685 9.079,686 9.944,687 10.786,688 11.65,689 9.8,692 1,696 2,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 27,736 1,737 43,738 16,739 6,740 3,741 3,742 4,746 3,747 3,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,778 1,779 1,781 16,782 8,783 2,784 9,785 1,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,843 1,846 1,848 25,854 5,855 2,856 1,859 1,869 2,870 7.3,873 2,874 1,877 13.167,878 7.269,879 5.472,880 2.345,881 1.706,882 1.246,883 0.977,884 5.837,885 8.638,886 3.555,887 4.069,888 4.48,889 4.965,890 5.367,891 5.46,892 5.464,893 5.649,894 5.611,895 5.915,896 1,897 36,898 9.289,900 3.998,901 8.117,902 17.129,904 13.74,905 2.617,906 65.417,910 164.795,911 82.834,912 101.885,914 61.29,915 14.96,917 128.788,918 226.085,919 70.891,921 51.952,922 37.905,923 73.027,924 37.171,925 14.96,926 164.795,927 45.954,928 164.795,929 138.765,930 76.25,932 45.954,933 179.756,934 50.29,935 11,937 71.862,938 57.427,939 9.476,940 45.954,941 179.756,942 117.221,943 128.788,946 164.795,947 44.929,948 41.029,949 81.976,950 93.035,951 164.795,952 132.181,953 128.788,955 0.58,956 0.324,957 0.172,958 0.095,959 17,960 8,961 0.093,962 4,964 1,965 3.732,966 197.538,968 18,969 112.096,974 18.05,975 8.084,976 4.876,978 132.181,979 4.171,984 0.29,986 36.022,987 425.764,988 34,993 24.004,995 1.407,996 4.355,997 0.122,999 42.316,1000 46.709,1001 0.359,1002 0.745,1003 0.869,1004 0.9,1005 0.9,1006 0.9,1007 4.8,1008 1.414,1009 5.659,1010 4.191,1011 4.317,1012 4.754,1013 2.784,1014 6.412,1015 4.183,1016 5.985,1017 1.069,1018 7.183,1019 3.521,1020 3.892,1021 4.559,1022 1.912,1023 7.14,1024 3.675,1025 7.277,1026 1,1027 8.798,1028 2.607,1029 5.861,1030 6.8,1031 3.513,1032 10.2,1033 5.608,1034 8.594,1035 0.284,1036 10.464,1037 2.136,1038 6.176,1039 7.332,1040 3.388,1041 11.695,1042 5.828,1043 9.937,1044 -0.112,1045 12.162,1046 0.662,1047 7.648,1048 9.113,1049 4.59,1050 14.262,1051 7.267,1052 11.298,1053 -0.378,1054 13.882,1055 -0.306,1056 8.326,1057 10.001,1058 4.849,1059 16.113,1060 7.849,1061 12.673,1062 -0.41,1063 15.618,1064 -0.965,1065 9.576,1066 11.576,1067 5.84,1068 18.475,1069 9.06,1070 2.952,1071 -0.597,1072 17.365,1073 -1.048,1074 10.441,1075 12.655,1076 6.297,1077 20.505,1078 9.834,1079 2.842,1080 9.329,1081 19.123,1082 -1.406,1083 11.586,1084 14.127,1085 7.17,1086 22.777,1087 10.933,1088 2.551,1089 8.381,1090 20.888,1091 3.875,1092 12.547,1093 15.314,1094 7.733,1095 24.898,1096 11.811,1097 2.336,1098 7.508,1099 22.66,1100 3.634,1101 13.645,1102 16.728,1103 8.539,1104 27.133,1105 12.856,1106 2.032,1107 6.747,1108 24.437,1109 3.03,1110 14.656,1111 17.977,1112 9.162,1113 29.3,1114 13.791,1115 1.745,1116 5.686,1117 26.219,1118 2.746,1119 15.733,1120 19.361,1121 9.928,1122 31.521,1123 14.81,1124 1.662,1125 4.65,1126 28.004,1127 2.589,1128 16.769,1129 20.646,1130 10.586,1131 33.713,1132 15.776,1133 7135,1134 13919,1135 17.8,1136 28.006,1137 40.212,1138 42.18,1139 40.858,1140 39.842,1141 39.776,1142 49.012,1143 13.034,1144 110.838,1145 36.873,1146 5.266,1147 5.682,1148 6.004,1149 4.996,1150 4.952,1151 6.875,1152 3.592,1153 15.605,1154 4.781,1155 12.754,1156 1.489,1157 1.562,1158 1.513,1159 1.476,1160 1.473,1161 1.815,1162 0.483,1163 4.105,1164 1.366,1165 3.952,1166 3.991,1167 6.88,1168 3.866,1169 8.201,1170 3.858,1171 3.878,1172 3.915,1173 3.877,1174 3.708,1175 7.432,1176 3.734,1177 3.68,1178 3.729,1179 3.773,1180 3.463,1181 7.427,1182 3.481,1183 3.462,1184 3.489,1185 3.57,1186 3.255,1187 4.763,1188 3.28,1189 3.111,1190 3.206,1191 3.386,1192 2.941,1193 4.656,1194 2.91,1195 3.016,1196 3.075,1197 2.944,1198 2.9,1199 4.575,1200 2.854,1201 2.944,1202 2.992,1203 2.872,1204 2.784,1205 3.936,1206 2.771,1207 2.87,1208 2.915,1209 2.866,1210 2.597,1211 3.826,1212 2.66,1213 0.158,1214 0.136,1215 0.23,1216 0.144,1217 0.109,1218 4.266,1219 0.144,1220 3.682,1221 0.075,1222 6.202,1223 0.346,1224 3.893,1225 0.103,1226 2.952,1227 3.875,1228 2.028,1229 9.329,1230 2.781,1231 1.88,1232 1.857,1233 1.956,1234 2.034,1235 1.209,1236 2.011,1237 1.8,1238 1.753,1239 1.931,1240 1.97,1241 1.065,1242 1.967,1243 1.607,1244 1.556,1245 1.779,1246 1.843,1247 0.931,1248 1.828,1249 1.364,1250 1.334,1251 1.523,1252 1.599,1253 0.825,1254 1.57,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.613,1260 1.429,1261 0.924,1262 0.872,1263 1.141,1264 1.189,1265 0.212,1266 1.174,1267 0.871,1268 0.83,1269 1.071,1270 1.146,1271 0.19,1272 1.109,1273 0.776,1274 0.72,1275 1,1276 0.995,1277 0.11,1278 1.041,1279 4.007,1281 5.313,1283 6.804,1285 8.377,1287 9.993,1288 3.064,1291 13.226,1295 2.341,1296 5.215,1297 5.281,1300 1.942,1305 27.326,1306 78.905,1307 163.685,1308 190.905,1309 197.66,1310 197.66,1311 197.66,1312 55.774,1313 6.932,1314 87.32,1315 87.32,1316 18,1317 12.202,1318 3.459,1319 3,1320 41.866,1321 96,1322 90,1323 0.211,1324 173.854,1325 314.62,1326 415.963,1327 9241,1328 4.9,1329 17.811,1330 0.712,1331 0.592,1332 17.941,1333 14.806,1334 12.008,1335 0.445,1336 0.314,1337 7.568,1338 10.788,1339 7.432,1340 6.05,1341 12.175,1342 8.482,1343 11.047,1344 0.299,1345 0.172,1346 11.367,1347 6.358,1348 8.572,1349 0.19,1350 0.094,1351 8.434,1352 4.251,1353 7.093,1354 0.124,1355 0.05,1356 7.531,1357 2.842,1358 5.494,1359 0.08,1360 0.026,1361 5.569,1362 1.788,1363 0.334,1364 85.24,1365 0.237,1366 24.49,1367 0.568,1368 128,1369 511.928,1370 213.696,1371 491.775,1372 632.67,1373 456,1374 146,1375 413.117,1376 201.449,1377 418.303,1378 609.31,1379 393,1380 5.383}
{0 CHEMBL2151050,1 1.724,2 15,3 2.783,4 7.747,5 138.63,6 8.256,7 0.6,8 4.233,9 4.34,10 4.008,11 3.786,12 5.358,13 3.768,14 4.763,15 4.924,16 4.325,17 4.172,18 6.018,19 4.14,20 4.983,21 5.156,22 4.422,23 4.362,24 6.106,25 4.294,26 5.114,27 5.297,28 4.362,29 4.373,30 6.276,31 4.299,32 5.137,33 5.356,34 4.315,35 4.363,36 6.24,37 4.278,38 5.062,39 5.275,40 4.276,41 4.328,42 6.09,43 4.22,44 5.07,45 5.306,46 4.229,47 4.231,48 6.214,49 4.118,50 4.929,51 5.165,52 4.146,53 4.099,54 5.998,55 4.002,56 0.126,57 0.992,58 13.494,59 5.427,60 20.53,61 6.299,62 0.581,63 1.564,64 23.22,65 8.754,66 60.616,67 10.484,68 0.453,69 1.908,70 35.203,71 12.688,72 45.827,73 14.604,74 0.664,75 2.006,76 40.23,77 13.629,78 98.53,79 15.844,80 0.769,81 2.029,82 38.996,83 13.26,84 91.361,85 16.853,86 0.482,87 1.934,88 37.028,89 13.308,90 57.07,91 17.434,92 0.86,93 1.823,94 38.059,95 13.122,96 100.165,97 17.602,98 0.484,99 1.604,100 34.271,101 11.614,102 60.367,103 15.268,104 18,105 57,106 0.274,107 0.582,108 0.729,109 0.817,110 0.83,111 0.83,112 3.616,113 0.959,114 -3.02,115 -3.02,116 -2.91,119 41,124 1,125 4,142 8,143 3,144 2,145 4,146 1,147 1,150 1,163 1,164 1,165 1,172 9,174 5,175 5,177 2,178 2,183 10,186 3,187 14,195 5,199 17,204 1,207 1,209 1,211 3,212 12,217 1,222 1,223 2,224 5,229 2,234 2,236 10,237 4,242 1,247 1,249 2,250 8,255 1,260 1,263 8,265 3,266 3,271 2,275 2392,276 24.504,277 24.504,278 24.504,279 24.504,280 24.504,281 21.44,282 22.236,283 14.248,284 25.277,285 19.656,286 19.656,287 19.656,288 19.656,289 19.656,290 14.995,291 28.385,292 6.634,293 20.82,294 4.207,295 2.259,296 1.336,297 0.779,298 0.701,299 0.701,300 4.321,305 1,306 1184,307 3.464,311 613.545,318 2.222,319 42.699,322 0.75,323 0.67,324 0.83,325 0.5,327 0.83,328 1,329 0.65,330 78.5,331 540,332 4.935,333 4.726,334 7.668,335 4.44,336 3.517,337 4.764,338 0.86,339 13.625,340 3.222,341 4.431,342 3.26,343 6.686,344 4.065,345 3.112,346 4.075,347 0.8,348 10.819,349 2.974,350 4.233,351 2.879,352 6.164,353 3.844,354 2.858,355 3.872,356 0.4,357 9.124,358 2.822,359 3.937,360 2.855,361 5.79,362 3.557,363 2.607,364 3.471,366 7.89,367 2.468,368 3.759,369 2.653,370 5.544,371 3.301,372 2.369,373 3.279,375 6.772,376 2.205,377 3.54,378 2.436,379 5.288,380 3.231,381 2.303,382 2.763,384 6.529,385 2.133,386 3.357,387 2.341,388 5.041,389 2.982,390 2.039,391 2.657,393 6.012,394 1.913,395 3.196,396 1.873,397 4.68,398 2.749,399 1.792,400 2.403,402 4.847,403 1.71,404 2.908,405 1.71,406 4.438,407 2.512,408 1.566,409 2.012,411 4.228,412 1.473,413 2.705,414 1.312,415 4.094,416 2.207,417 1.233,418 1.765,420 3.329,421 1.199,422 2.628,423 1.26,424 3.837,425 2.119,426 1.166,427 1.682,428 2.819,429 1.11,430 2.575,431 1.147,432 3.583,433 2.07,434 1.096,435 1.606,436 2.705,437 1.065,438 2.5,439 1.146,440 3.477,441 2,442 1,443 1.5,445 2.462,446 1,447 2.5,448 1.069,449 3.414,450 1.967,451 1,452 1.5,454 2.275,455 0.965,456 2.367,457 1,458 3.414,459 1.938,460 1,461 1.309,463 2.275,464 0.935,465 17.133,466 0.476,467 0.892,468 0.025,469 53,470 1.472,471 28.5,472 0.792,473 24.5,474 0.681,475 27.86,476 0.774,477 38.067,478 0.624,479 44.074,480 1.224,481 10.415,482 0.289,483 7.036,484 0.195,485 0.091,486 0.049,487 0.28,493 0.701,494 1.463,495 0.778,496 1.236,497 0.73,498 0.94,499 0.917,500 0.898,501 0.832,502 0.785,503 0.611,504 0.8,505 0.992,506 1.097,507 1.267,508 1.224,509 0.805,510 1.019,511 1.441,512 1.171,513 1.306,514 1.201,515 1.755,516 1.125,517 1.142,518 0.925,519 0.996,520 0.881,521 1.392,522 0.976,523 0.727,524 1.169,525 1.028,526 1.227,527 0.784,528 1.182,529 0.672,530 0.914,531 0.85,532 0.958,533 0.905,534 1.026,535 0.811,536 1.103,537 0.852,538 1.047,539 0.779,540 0.968,541 7.5,542 0.215,543 5.333,544 2.625,545 1.649,546 1.521,547 1.026,548 0.679,549 0.517,550 0.298,551 21010,552 61096,553 2.113,554 41,556 19,558 4,559 2,564 1.772,565 1.991,566 3.829,567 0.231,573 105.176,574 1.724,575 3.671,576 4.595,577 5.152,578 5.23,579 5.23,580 3.372,581 4.517,582 5.138,583 3.984,584 2510.11,585 9.023,586 40352.8,591 361.775,592 1.463,593 5.103,594 0.188,595 0.006,596 0.094,597 0.042,598 0.029,599 0.028,600 0.021,601 0.015,602 0.012,603 0.007,604 0.441,605 0.33,606 0.63,607 0.639,608 197.77,609 0.03,610 -0.273,611 0.188,612 -0.132,613 -0.143,614 -0.008,615 0.112,616 0.222,617 0.08,618 0.18,619 0.213,620 0.102,621 -0.085,622 -0.002,623 -0.119,624 -0.083,625 0.037,626 -0.042,627 -0.268,628 -0.165,629 -0.236,630 -0.144,631 -0.255,632 -0.159,633 -0.124,634 0.055,635 -0.063,636 0.061,637 -0.173,638 -0.007,639 0.034,640 -0.188,641 -0.036,642 -0.195,643 -0.002,644 -0.161,645 0.294,646 0.015,647 0.128,648 0.009,649 0.163,650 -0.015,651 0.108,652 -0.17,653 0.196,654 -0.029,655 0.126,656 0.06,657 4.602,658 6.433,659 0.833,660 43.247,661 1.012,662 1.127,663 1.787,664 3.194,665 0.687,666 3.714,667 4.06,668 4.357,669 4.585,670 4.852,671 4.927,672 5.094,673 5.187,674 5.303,675 5.361,676 8.318,677 0.659,678 503.64,679 3.714,680 5.273,681 6.138,682 7.024,683 7.905,684 8.796,685 9.683,686 10.576,687 11.466,688 12.361,689 11.5,692 1,693 1,695 1,699 4,704 12,705 4,709 8,711 24,722 1,726 1,729 1,731 61,733 26,734 2,735 40,737 65,738 25,739 20,740 4,741 8,746 5,747 5,761 20,762 5,766 2,769 1,771 2,781 25,782 10,783 2,784 11,785 1,790 7,794 1,795 3,802 1,806 1,812 5,840 5,842 1,844 1,848 36,849 1,852 1,854 4,856 1,859 2,870 4.9,873 2,875 1,877 18.083,878 11.2,879 7.861,880 3.415,881 4.501,882 1.531,883 1.014,884 6.835,885 12.98,886 4.007,887 4.635,888 5.201,889 5.731,890 6.295,891 6.507,892 6.925,893 7.215,894 7.549,895 7.792,896 1,897 62,898 13.546,900 6.058,901 7.826,902 25.214,904 20.906,905 2.326,906 83.75,910 270.735,911 160.448,912 104.682,914 55.313,916 5.807,917 154.64,918 326.048,919 104.682,920 10.883,921 8.423,922 114.515,923 158.539,924 70.94,925 4.227,926 223.651,928 270.735,929 259.322,930 55.313,931 5.807,933 270.735,934 55.313,937 50.787,938 141.393,939 72.95,941 270.735,942 159.995,943 160.448,945 5.807,946 270.735,947 31.757,948 127.526,950 155.352,951 270.735,952 159.995,953 160.448,955 0.587,956 0.352,957 0.181,958 0.101,959 28,960 12,961 0.092,962 6,964 1,965 4.626,966 351.908,968 30,969 172.117,973 1,974 24.138,975 10.194,976 5.054,978 159.995,979 20.873,980 17.097,984 4.939,986 32.897,987 591.178,988 54,991 -3.685,993 26.866,999 61.723,1000 68.773,1001 0.291,1002 0.619,1003 0.775,1004 0.869,1005 0.882,1006 0.882,1007 5.252,1008 1.792,1009 6.146,1010 6.012,1011 4.745,1012 5.323,1013 1.324,1014 7.008,1015 4.636,1016 6.48,1017 1.566,1018 7.745,1019 4.847,1020 4.443,1021 5.263,1022 0.325,1023 8.214,1024 4.255,1025 7.819,1026 1.233,1027 9.462,1028 4.228,1029 6.422,1030 7.598,1031 0.958,1032 11.296,1033 6.196,1034 9.202,1035 1.166,1036 11.255,1037 3.329,1038 6.976,1039 8.392,1040 0.268,1041 13.391,1042 6.659,1043 10.625,1044 1.096,1045 13.101,1046 2.819,1047 8.446,1048 10.225,1049 0.736,1050 16.088,1051 8.088,1052 12.077,1053 1,1054 14.985,1055 2.705,1056 9.377,1057 11.405,1058 0.188,1059 18.505,1060 8.922,1061 13.553,1062 1,1063 16.899,1064 2.462,1065 10.669,1066 13.049,1067 0.57,1068 21.115,1069 10.159,1070 3.517,1071 1,1072 18.836,1073 2.275,1074 11.768,1075 14.413,1076 0.125,1077 23.647,1078 11.16,1079 3.112,1080 13.625,1081 20.79,1082 2.275,1083 13.005,1084 15.985,1085 0.439,1086 26.243,1087 12.327,1088 2.858,1089 10.819,1090 22.759,1091 4.764,1092 14.177,1093 17.44,1094 0.082,1095 28.818,1096 13.403,1097 2.607,1098 9.124,1099 24.74,1100 4.075,1101 15.402,1102 18.987,1103 0.334,1104 31.415,1105 14.547,1106 2.369,1107 7.89,1108 26.731,1109 3.872,1110 16.609,1111 20.488,1112 0.054,1113 34.008,1114 15.659,1115 2.303,1116 6.772,1117 28.729,1118 3.471,1119 17.837,1120 22.031,1121 0.252,1122 36.61,1123 16.798,1124 2.039,1125 6.529,1126 30.734,1127 3.279,1128 19.061,1129 23.556,1130 0.035,1131 39.212,1132 17.927,1133 19631,1134 33679,1135 26.929,1136 41.904,1137 60.57,1138 61.227,1139 62.046,1140 60.326,1141 60.315,1142 80.439,1143 4.12,1144 177.526,1145 57.076,1146 5.935,1147 6.726,1148 7.347,1149 5.513,1150 5.517,1151 7.764,1152 1.72,1153 21.634,1154 5.222,1155 16.444,1156 1.514,1157 1.531,1158 1.551,1159 1.508,1160 1.508,1161 2.011,1162 0.103,1163 4.438,1164 1.427,1165 4.121,1166 4.121,1167 4.743,1168 4.092,1169 7.715,1170 4.021,1171 3.979,1172 4.006,1173 3.953,1174 3.893,1175 6.999,1176 3.897,1177 3.867,1178 3.903,1179 3.878,1180 3.747,1181 5.236,1182 3.726,1183 3.753,1184 3.793,1185 3.703,1186 3.599,1187 5.011,1188 3.613,1189 3.636,1190 3.692,1191 3.582,1192 3.474,1193 4.818,1194 3.485,1195 3.451,1196 3.453,1197 3.458,1198 3.312,1199 4.736,1200 3.272,1201 3.242,1202 3.307,1203 3.075,1204 2.985,1205 4.512,1206 2.995,1207 3.111,1208 3.206,1209 2.933,1210 2.941,1211 4.346,1212 2.91,1213 0.123,1214 0.118,1215 0.192,1216 0.111,1217 0.088,1218 4.935,1219 0.119,1220 4.726,1221 0.022,1222 7.668,1223 0.341,1224 4.44,1225 0.081,1226 3.517,1227 4.764,1228 0.86,1229 13.625,1230 3.222,1231 2.003,1232 2.004,1233 2.038,1234 2.1,1235 1.333,1236 2.118,1237 1.939,1238 1.913,1239 2.023,1240 2.048,1241 1.169,1242 2.045,1243 1.788,1244 1.751,1245 1.932,1246 1.96,1247 1.098,1248 1.96,1249 1.674,1250 1.636,1251 1.744,1252 1.852,1253 0.825,1254 1.842,1255 1.58,1256 1.527,1257 1.718,1258 1.774,1259 0.792,1260 1.765,1261 1.302,1262 1.311,1263 1.562,1264 1.498,1265 0.701,1266 1.521,1267 1.192,1268 1.121,1269 1.513,1270 1.475,1271 0.569,1272 1.51,1273 1.153,1274 1.064,1275 1.254,1276 1.376,1277 0.516,1278 1.429,1279 4.394,1281 5.733,1283 7.283,1285 8.917,1287 10.594,1289 1.624,1293 5.567,1295 1.644,1297 5.249,1300 3.576,1305 40.222,1306 105.176,1307 223.947,1308 280.265,1309 314.265,1310 319.02,1311 319.02,1312 68.824,1313 8.479,1314 127.43,1315 135.81,1316 30,1317 12.888,1318 4.755,1319 3.907,1320 54.642,1321 182,1322 192,1323 0.146,1324 249.163,1325 425.86,1326 599.718,1327 68762,1329 25.123,1330 0.698,1331 0.569,1332 25.373,1333 20.467,1334 17.452,1335 0.436,1336 0.32,1337 11.267,1338 15.901,1339 10.909,1340 9.012,1341 18.241,1342 12.78,1343 15.878,1344 0.279,1345 0.178,1346 17.197,1347 10.144,1348 13.873,1349 0.18,1350 0.103,1351 15.2,1352 7.952,1353 11.097,1354 0.114,1355 0.058,1356 12.184,1357 5.596,1358 9.302,1359 0.073,1360 0.032,1361 10.282,1362 4.075,1363 0.234,1364 117.946,1365 0.193,1366 33.197,1367 0.39,1368 194,1369 597.25,1370 254.034,1371 597.554,1372 821.12,1373 556,1374 231,1375 583.1,1376 299.462,1377 628.739,1378 918.23,1379 589,1380 7.42}
{0 CHEMBL215152,1 1.681,2 17.459,3 3.771,4 14.22,5 139.919,6 7.577,7 0.55,8 4.307,9 4.435,10 3.872,11 3.771,12 5.458,13 3.774,14 4.827,15 5.009,16 4.192,17 4.127,18 5.96,19 4.108,20 5.066,21 5.289,22 4.202,23 4.231,24 6.134,25 4.185,26 5.098,27 5.335,28 4.193,29 4.241,30 6.171,31 4.167,32 5.13,33 5.377,34 4.134,35 4.209,36 6.206,37 4.136,38 5.077,39 5.331,40 4.092,41 4.138,42 6.191,43 4.06,44 4.929,45 5.166,46 3.994,47 4.054,48 5.984,49 3.995,50 4.815,51 5.039,52 3.982,53 4.027,54 5.903,55 3.96,56 0.144,57 1.088,58 13.616,59 5.607,60 16.068,61 7.417,62 0.443,63 1.651,64 25.778,65 8.954,66 42.252,67 12.355,68 0.745,69 1.9,70 35.981,71 10.775,72 73.434,73 15.28,74 0.757,75 1.89,76 37.31,77 12.071,78 69.112,79 17.533,80 0.771,81 1.811,82 39.939,83 12.191,84 98.061,85 17.545,86 0.945,87 1.666,88 38.803,89 11.702,90 116.811,91 17.129,92 0.766,93 1.581,94 32.383,95 9.258,96 76.09,97 13.442,98 0.524,99 1.523,100 26.96,101 8.899,102 47.555,103 13.035,104 27,105 53,106 0.264,107 0.627,108 0.817,109 0.91,110 0.91,111 0.91,112 3.641,113 0.908,114 -4.34,115 -4.28,116 -4.04,119 38.8,120 1,121 2,125 5,142 8,143 1,144 3,146 1,147 2,148 1,152 1,158 1,168 1,172 4,174 1,175 10,178 3,180 7,183 7,187 4,190 1,191 1,192 2,195 2,198 3,199 9,202 2,203 1,204 5,207 6,211 1,212 2,215 2,217 3,220 3,223 2,224 9,227 2,228 1,229 3,232 7,237 3,240 2,242 3,245 2,249 3,250 6,253 1,255 5,258 5,263 2,266 1,268 4,271 1,275 3142,276 25.342,277 25.342,278 25.342,279 25.342,280 25.342,281 22.558,282 34.329,283 15.396,284 26.028,285 19.724,286 19.724,287 19.724,288 19.724,289 19.724,290 15.519,291 51.895,292 7.238,293 20.792,294 4.385,295 2.082,296 0.87,297 0.28,298 0.28,299 0.28,300 4.338,305 1,306 1367,307 4.472,310 108.317,311 361.786,315 188.83,318 3.229,319 42.761,322 0.75,323 0.5,324 0.67,325 0.7,326 0.5,327 0.67,328 0.5,329 0.61,330 82,331 646,332 4.526,333 3.63,334 6.529,335 4.042,336 3.075,337 4.464,338 1.987,339 10.306,340 2.975,341 4.148,342 3.155,343 5.728,344 3.759,345 2.788,346 3.75,347 0.86,348 8.122,349 2.706,350 4.055,351 2.951,352 5.572,353 3.626,354 2.667,355 3.657,356 0.8,357 7.651,358 2.553,359 3.774,360 2.876,361 5.43,362 3.401,363 2.478,364 3.213,365 0.4,366 7.171,367 2.298,368 3.616,369 2.804,370 5.299,371 3.36,372 2.423,373 2.867,374 0.324,375 6.787,376 2.259,377 3.466,378 2.709,379 5.15,380 3.232,381 2.266,382 2.655,384 6.375,385 2.172,386 3.34,387 2.319,388 4.961,389 2.925,390 1.993,391 2.466,393 5.729,394 1.848,395 3.206,396 2.24,397 4.757,398 2.769,399 1.816,400 2.442,402 5.211,403 1.715,404 3.039,405 1.87,406 4.44,407 2.567,408 1.597,409 2.252,411 4.417,412 1.537,413 2.96,414 1.693,415 4.148,416 2.482,417 1.543,418 2.119,420 3.725,421 1.442,422 2.657,423 1.567,424 3.617,425 2.369,426 1.417,427 1.728,428 3.03,429 1.342,430 2.518,431 1.476,432 3.479,433 2.171,434 1.18,435 1.52,436 2.587,437 1.165,438 2.385,439 1.275,440 3.402,441 2.02,442 1.099,443 1.341,445 2.224,446 1.003,447 2.206,448 1.022,449 3.28,450 1.904,451 0.947,452 1.102,454 1.822,455 0.904,456 2.103,457 0.864,458 3.13,459 1.71,460 0.728,461 1.064,463 1.738,464 0.714,465 17.086,466 0.462,467 0.724,468 0.02,469 47.5,470 1.284,471 23,472 0.622,473 24.5,474 0.662,475 31.584,476 0.854,477 41.114,478 0.614,479 38.653,480 1.045,481 9.642,482 0.261,483 8.391,484 0.227,485 0.085,487 0.287,491 1,493 0.795,494 1.298,495 0.782,496 1.15,497 0.658,498 0.992,499 0.887,500 1.151,501 0.895,502 1.079,503 0.658,504 1.003,505 1.179,506 1.024,507 1.052,508 0.934,509 1.017,510 0.953,511 0.727,512 0.948,513 0.91,514 1.057,515 0.646,516 1.032,517 1.015,518 0.92,519 0.957,520 0.977,521 1.099,522 0.96,523 0.83,524 0.823,525 0.828,526 0.857,527 0.7,528 0.857,529 1.144,530 0.934,531 1.035,532 0.836,533 0.938,534 0.894,535 0.648,536 1.004,537 0.948,538 1.095,539 0.546,540 1.084,541 7.5,542 0.206,543 2.667,544 2.444,545 1.449,546 0.962,547 0.534,548 0.481,549 0.303,550 0.306,551 24809,552 71439,553 2.071,554 44.8,556 18,558 1,559 4,560 2,561 3,562 2,564 1.775,565 1.965,566 4.047,567 1.525,573 112.603,574 1.681,575 3.984,576 5.196,577 5.786,578 5.786,579 5.786,580 3.517,581 5.155,582 5.172,583 4.276,584 2847.78,585 9.075,586 51192.2,591 406.428,592 1.283,593 5.153,594 0.188,595 0.006,596 0.05,597 0.047,598 0.029,599 0.02,600 0.012,601 0.011,602 0.007,603 0.008,604 0.379,606 0.75,607 1.56,608 210.706,609 -0.06,610 -0.137,611 0.034,612 -0.049,613 -0.055,614 0.002,615 -0.027,616 -0.09,617 0.003,618 -0.056,619 0.023,620 -0.031,621 -0.162,622 -0.012,623 -0.081,624 0.039,625 -0.102,626 0.007,627 0.112,628 -0.005,629 0.047,630 -0.064,631 0.09,632 -0.034,633 -0.053,634 -0.032,635 0.036,636 -0.003,637 -0.059,638 0.03,639 0.131,640 0.002,641 0.179,642 0.113,643 0.14,644 0.142,645 -0.124,646 0.019,647 -0.044,648 0.12,649 -0.099,650 0.068,651 0.095,652 -0.009,653 -0.026,654 -0.097,655 0.068,656 -0.093,657 2.084,658 5.319,659 0.568,660 61.746,661 1.012,662 1.141,663 3.115,664 9.701,665 0.649,666 3.714,667 3.989,668 4.205,669 4.454,670 4.605,671 4.673,672 4.787,673 4.942,674 5.05,675 5.124,676 10.066,677 0.627,678 507.63,679 3.714,680 5.231,681 6.052,682 6.907,683 7.743,684 8.604,685 9.448,686 10.314,687 11.164,688 12.034,689 10.4,692 1,696 1,697 2,699 3,703 2,704 9,705 3,706 1,709 6,711 22,724 1,729 1,730 1,731 67,733 23,734 2,735 40,737 70,738 26,739 17,740 5,741 7,746 4,747 5,752 2,758 2,761 18,762 8,766 1,771 1,775 1,779 1,781 30,782 10,783 4,784 11,790 7,794 0.75,795 3,796 1,803 1,806 1,811 1,812 3,816 1,826 1,836 1,838 1,840 3,844 1,846 1,848 37,853 1,854 7,855 2,856 1,859 1,869 1,870 4.5,871 1,873 1,875 1,877 18.833,878 11.976,879 8.389,880 4.04,881 4.241,882 1.511,883 0.961,884 9.52,885 12.544,886 3.97,887 4.535,888 5.07,889 5.663,890 6.143,891 6.418,892 6.796,893 7.218,894 7.598,895 7.779,896 0.917,897 52,898 13.677,900 5.722,901 7.892,902 25.769,904 20.475,905 2.392,906 88.5,910 306.049,911 143.188,912 106.043,914 78.828,915 14.96,917 143.188,918 384.877,919 121.003,920 8.825,921 33.989,922 118.493,923 91.855,924 79.255,925 22.373,926 294.278,928 306.049,929 249.231,930 93.788,933 262.153,934 95,935 42.683,937 91.375,938 107.621,939 50.234,941 321.009,942 184.871,943 143.188,946 306.049,947 49.934,948 96.378,949 52.685,950 144.022,951 306.049,952 199.831,953 143.188,955 0.563,956 0.32,957 0.176,958 0.089,959 22,960 10,961 0.186,962 13,963 1,964 1.095,965 4.954,966 329.043,967 0.095,968 21,969 192.75,974 26.642,975 13.221,976 7.782,977 1.513,978 183.168,979 14.521,980 12.897,981 2.832,984 2.348,986 95.368,987 649.068,988 52,993 12.293,997 -0.295,999 67.81,1000 76.438,1001 0.277,1002 0.657,1003 0.857,1004 0.954,1005 0.954,1006 0.954,1007 5.179,1008 1.816,1009 6.004,1010 5.729,1011 4.673,1012 5.223,1013 2.373,1014 6.744,1015 4.575,1016 6.358,1017 1.597,1018 7.512,1019 5.211,1020 4.111,1021 4.945,1022 1.668,1023 7.466,1024 3.966,1025 7.641,1026 1.543,1027 9.113,1028 4.417,1029 6.196,1030 7.39,1031 3.17,1032 10.538,1033 6.013,1034 8.959,1035 1.417,1036 10.769,1037 3.725,1038 6.447,1039 7.962,1040 3.181,1041 12.104,1042 6.224,1043 10.307,1044 1.18,1045 12.463,1046 3.03,1047 7.967,1048 9.866,1049 4.326,1050 14.676,1051 7.711,1052 11.679,1053 1.099,1054 14.183,1055 2.587,1056 8.621,1057 10.869,1058 4.656,1059 16.637,1060 8.331,1061 13.069,1062 0.947,1063 15.924,1064 2.224,1065 9.892,1066 12.535,1067 5.604,1068 19.036,1069 9.572,1070 3.075,1071 0.728,1072 17.682,1073 1.822,1074 10.756,1075 13.769,1076 6.091,1077 21.191,1078 10.405,1079 2.788,1080 10.306,1081 19.454,1082 1.738,1083 11.917,1084 15.327,1085 6.928,1086 23.533,1087 11.537,1088 2.667,1089 8.122,1090 21.239,1091 4.464,1092 12.89,1093 16.682,1094 7.501,1095 25.78,1096 12.481,1097 2.478,1098 7.651,1099 23.035,1100 3.75,1101 14.005,1102 18.193,1103 8.273,1104 28.107,1105 13.568,1106 2.423,1107 7.171,1108 24.841,1109 3.657,1110 15.036,1111 19.611,1112 8.894,1113 30.397,1114 14.57,1115 2.266,1116 6.787,1117 26.656,1118 3.213,1119 16.135,1120 21.105,1121 9.631,1122 32.722,1123 15.641,1124 1.993,1125 6.375,1126 28.478,1127 2.867,1128 17.198,1129 22.556,1130 10.279,1131 35.033,1132 16.675,1133 23907,1134 40870,1135 26.929,1136 43.478,1137 57.72,1138 59.01,1139 59.7,1140 57.527,1141 57.475,1142 74.798,1143 8.742,1144 156.512,1145 54.599,1146 5.452,1147 5.63,1148 6.311,1149 5.126,1150 5.075,1151 7.464,1152 3.497,1153 17.2,1154 4.975,1155 17.777,1156 1.443,1157 1.475,1158 1.492,1159 1.438,1160 1.437,1161 1.87,1162 0.219,1163 3.913,1164 1.365,1165 4.079,1166 4.117,1167 4.047,1168 3.972,1169 8.201,1170 3.985,1171 3.943,1172 3.985,1173 3.896,1174 3.833,1175 7.429,1176 3.839,1177 3.875,1178 3.921,1179 3.827,1180 3.721,1181 6.456,1182 3.743,1183 3.771,1184 3.844,1185 3.637,1186 3.574,1187 5.109,1188 3.578,1189 3.525,1190 3.577,1191 3.435,1192 3.317,1193 4.966,1194 3.333,1195 3.436,1196 3.483,1197 3.361,1198 3.219,1199 4.674,1200 3.235,1201 3.35,1202 3.418,1203 3.214,1204 3.144,1205 4.659,1206 3.167,1207 3.331,1208 3.406,1209 3.108,1210 3.124,1211 4.275,1212 3.106,1213 0.113,1214 0.091,1215 0.163,1216 0.101,1217 0.077,1218 4.526,1219 0.112,1220 3.63,1221 0.05,1222 6.529,1223 0.258,1224 4.042,1225 0.074,1226 3.075,1227 4.464,1228 1.987,1229 10.306,1230 2.975,1231 2.002,1232 1.978,1233 2.064,1234 2.118,1235 1.267,1236 2.102,1237 1.882,1238 1.854,1239 1.986,1240 2.001,1241 1.171,1242 1.996,1243 1.724,1244 1.654,1245 1.961,1246 1.951,1247 1.063,1248 1.959,1249 1.641,1250 1.602,1251 1.788,1252 1.82,1253 1.024,1254 1.809,1255 1.486,1256 1.425,1257 1.769,1258 1.73,1259 0.975,1260 1.733,1261 1.389,1262 1.323,1263 1.677,1264 1.636,1265 0.871,1266 1.629,1267 1.339,1268 1.259,1269 1.524,1270 1.598,1271 0.549,1272 1.614,1273 1.235,1274 1.178,1275 1.378,1276 1.486,1277 0.469,1278 1.456,1279 4.394,1281 5.68,1282 2.398,1283 7.146,1284 4.595,1285 8.7,1286 6.555,1287 10.305,1289 2.07,1291 13.319,1294 9.089,1295 4.032,1296 5.819,1297 5.889,1300 2.173,1305 41.999,1306 112.603,1307 266.902,1308 348.163,1309 387.673,1310 387.673,1311 387.673,1312 80.399,1313 8.303,1314 128.29,1315 128.29,1316 23,1317 12.582,1318 4.585,1319 3.7,1320 65.309,1321 220,1322 236,1323 0.14,1324 259.143,1325 445.72,1326 624.07,1327 59378,1328 1.5,1329 26.037,1330 0.704,1331 0.556,1332 25.167,1333 20.576,1334 18.034,1335 0.451,1336 0.303,1337 11.89,1338 17.112,1339 11.684,1340 9.668,1341 17.64,1342 12.113,1343 15.637,1344 0.295,1345 0.158,1346 15.003,1347 8.4,1348 12.456,1349 0.189,1350 0.086,1351 12.136,1352 5.696,1353 10.618,1354 0.125,1355 0.045,1356 10.267,1357 3.856,1358 7.92,1359 0.08,1360 0.024,1361 7.79,1362 2.327,1363 0.23,1364 114.505,1365 0.193,1366 34.912,1367 0.355,1368 186,1369 639.311,1370 210.266,1371 585.122,1372 784.3,1373 548,1374 212,1375 563.94,1376 234.712,1377 559.909,1378 810.57,1379 527,1380 5}
{0 CHEMBL2151819,1 1.791,2 10.167,3 0.86,4 0.739,5 84.647,6 8.107,7 0.231,8 3.84,9 3.956,10 3.462,11 3.294,12 5.022,13 3.321,14 4.381,15 4.544,16 3.808,17 3.646,18 5.605,19 3.656,20 4.63,21 4.839,22 3.818,23 3.742,24 5.843,25 3.731,26 4.563,27 4.787,28 3.75,29 3.681,30 5.821,31 3.641,32 4.521,33 4.733,34 3.712,35 3.608,36 5.874,37 3.595,38 4.463,39 4.655,40 3.638,41 3.522,42 5.854,43 3.51,44 4.401,45 4.63,46 3.498,47 3.398,48 5.684,49 3.368,50 4.246,51 4.48,52 3.355,53 3.25,54 5.462,55 3.249,56 0.14,57 0.689,58 7.316,59 3.366,60 13.647,61 4.147,62 0.458,63 1.051,64 15.209,65 5.493,66 32.073,67 7.025,68 0.772,69 1.246,70 22.584,71 6.272,72 73.029,73 8.379,74 0.663,75 1.154,76 21.237,77 7.046,78 68.961,79 9.452,80 0.704,81 1.005,82 20.631,83 6.084,84 97.301,85 8.186,86 0.714,87 0.931,88 19.17,89 5.867,90 100.172,91 7.515,92 0.74,93 0.859,94 19.317,95 5.032,96 85.236,97 7.257,98 0.536,99 0.763,100 16.93,101 4.411,102 63.144,103 5.876,104 10,105 35,106 0.317,107 0.678,108 0.802,109 0.846,110 0.854,111 0.854,112 3.228,113 0.876,114 -3.45,115 -3.42,116 -3.27,119 39,121 1,125 4,135 1,139 1,142 4,144 2,158 3,172 3,174 1,175 5,178 3,180 4,183 2,186 1,192 2,195 1,198 3,199 3,202 3,203 1,204 1,207 2,211 1,212 3,220 2,223 2,224 3,227 2,229 2,232 1,236 1,237 3,240 1,242 2,250 3,255 1,258 1,262 1,263 4,266 1,271 2,275 826,276 16.154,277 16.154,278 16.154,279 16.154,280 16.154,281 14.65,282 20.836,283 9.79,284 16.589,285 12.882,286 12.882,287 12.882,288 12.882,289 12.882,290 10.539,291 24.828,292 4.717,293 13.579,294 3.567,295 1.532,296 0.829,297 0.585,298 0.537,299 0.537,300 3.91,304 1,305 1,306 521,307 2.828,311 246.946,318 1.514,319 37.089,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 244,332 4.266,333 3.686,334 6.203,335 3.895,336 2.954,337 3.789,338 2.028,339 9.33,340 2.786,341 4.18,342 3.52,343 6.054,344 3.781,345 2.828,346 3.632,347 1.408,348 8.703,349 2.686,350 3.732,351 3.129,352 5.512,353 3.458,354 2.507,355 2.921,356 0.993,357 7.408,358 2.382,359 3.511,360 3.089,361 5.011,362 3.214,363 2.209,364 2.619,365 0.86,366 5.986,367 2.195,368 3.291,369 2.777,370 4.639,371 2.797,372 1.813,373 2.426,374 0.849,375 4.968,376 1.764,377 2.895,378 2.289,379 4.342,380 2.621,381 1.714,382 2.038,383 0.25,384 4.215,385 1.547,386 2.871,387 1.876,388 4.074,389 2.391,390 1.414,391 1.92,392 0.129,393 3.541,394 1.38,395 2.802,396 1.554,397 3.595,398 2.347,399 1.37,400 1.863,402 2.957,403 1.319,404 2.213,405 1.497,406 3.49,407 1.952,408 1.068,409 1.153,411 2.606,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.417,423 0.822,424 2.965,425 1.1,426 0.167,427 0.196,428 0.407,429 0.154,430 1.288,431 0.707,432 2.567,433 0.792,434 -0.198,435 -0.233,436 -0.523,437 -0.191,438 1,439 0.564,440 2.45,441 0.618,442 -0.391,443 -0.501,445 -1.004,446 -0.379,447 0.781,448 0.105,449 2.112,450 0.384,451 -0.567,452 -0.69,454 -1.364,455 -0.531,456 0.618,457 -0.206,458 2,459 0.343,460 -0.633,461 -0.817,463 -1.45,464 -0.618,465 10.886,466 0.454,467 0.558,468 0.023,469 29,470 1.208,471 12.5,472 0.521,473 16.5,474 0.688,475 17.861,476 0.744,477 26.914,478 0.656,479 22.353,480 0.931,481 6.206,482 0.259,483 5.408,484 0.225,485 0.087,487 0.312,491 1,493 0.714,494 1.332,495 0.693,496 1.196,497 0.533,498 0.98,499 0.831,500 1.135,501 0.862,502 1.092,503 0.575,504 1.012,505 1.162,506 0.977,507 1.109,508 0.882,509 1.03,510 0.945,511 0.75,512 1.007,513 0.912,514 1.066,515 0.876,516 1.047,517 0.971,518 0.924,519 0.952,520 0.962,521 1.042,522 0.939,523 1.116,524 1.027,525 1.085,526 1.103,527 1.271,528 1.097,529 0.92,530 0.759,531 0.976,532 0.873,533 1.083,534 0.929,535 1.32,536 0.936,537 0.976,538 0.754,539 1.249,540 0.746,541 5,542 0.054,543 2,544 1.625,545 1.147,546 0.708,547 0.446,548 0.203,549 0.23,550 0.157,551 6512,552 21269,553 2.064,554 41.5,556 13,559 2,560 2,564 1.669,565 1.946,566 3.329,567 0.378,569 1,571 1,573 73.418,574 1.791,575 3.825,576 4.528,577 4.772,578 4.821,579 4.821,580 2.736,581 3.939,582 4.559,583 3.474,584 958.951,585 7.864,586 11457.7,587 1,588 1,591 219.66,592 1.347,593 4.522,594 0.192,595 0.004,596 0.057,597 0.048,598 0.037,599 0.024,600 0.017,601 0.009,602 0.011,603 0.008,604 0.406,605 0.33,606 1,607 0.566,608 114.755,609 -0.08,610 -0.23,611 0.035,612 -0.112,613 -0.031,614 -0.02,615 -0.014,616 -0.133,617 -0.011,618 -0.097,619 0.031,620 -0.073,621 -0.187,622 0.008,623 -0.153,624 0.045,625 -0.117,626 -0.021,627 0.118,628 0.022,629 0.046,630 -0.084,631 0.04,632 -0.057,633 -0.015,634 -0.014,635 0.021,636 -0.011,637 0.032,638 0.022,639 -0.036,640 -0.114,641 -0.108,642 -0.145,643 -0.02,644 -0.154,645 0.073,646 0.066,647 0.039,648 0.034,649 -0.026,650 0.024,651 -0.231,652 -0.036,653 0.069,654 0.165,655 -0.157,656 0.211,657 2.186,658 5.553,659 0.75,660 19.917,661 1.027,662 1.143,663 2.215,664 4.908,665 0.65,666 3.296,667 3.584,668 3.784,669 4.025,670 4.205,671 4.143,672 4.19,673 4.248,674 4.263,675 4.248,676 6.079,677 0.641,678 332.37,679 3.296,680 4.812,681 5.631,682 6.488,683 7.322,684 8.182,685 9.022,686 9.883,687 10.725,688 11.587,689 9.8,692 1,696 2,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 26,737 43,738 16,739 6,740 2,741 4,742 4,746 3,747 3,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 17,782 8,783 2,784 8,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 2,856 1,859 1,869 1,870 7.3,873 2,874 1,877 12.333,878 7.21,879 5.306,880 2.365,881 1.714,882 1.251,883 0.972,884 5.233,885 8.553,886 3.526,887 4.016,888 4.428,889 4.912,890 5.296,891 5.312,892 5.361,893 5.589,894 5.626,895 5.821,896 0.857,897 34,898 8.935,900 3.856,901 8.125,902 16.459,904 13.178,905 2.625,906 63,910 176.567,911 89.255,912 55.931,914 61.29,915 14.96,917 89.255,918 237.856,919 70.891,921 51.952,922 47.381,923 73.027,924 34.116,925 14.96,926 176.567,928 176.567,929 145.186,930 76.25,933 191.527,934 50.29,935 11,937 71.862,938 63.848,939 9.476,941 191.527,942 117.221,943 89.255,946 176.567,947 41.874,948 50.506,949 36.022,950 93.035,951 176.567,952 132.181,953 89.255,955 0.573,956 0.322,957 0.178,958 0.098,959 16,960 7,961 0.093,962 4,964 1,965 3.662,966 186.978,968 18,969 106.039,974 16.618,975 7.557,976 4.412,978 132.181,979 5.885,984 -0.427,986 36.022,987 398.003,988 33,993 23.862,995 1.392,996 4.322,997 -0.045,999 42.087,1000 46.868,1001 0.334,1002 0.714,1003 0.845,1004 0.891,1005 0.9,1006 0.9,1007 4.758,1008 1.37,1009 5.595,1010 3.541,1011 4.263,1012 4.7,1013 2.784,1014 6.34,1015 4.164,1016 5.928,1017 1.068,1018 7.109,1019 2.957,1020 3.761,1021 4.407,1022 1.912,1023 7.066,1024 3.628,1025 7.209,1026 1,1027 8.719,1028 2.606,1029 5.79,1030 6.717,1031 3.513,1032 10.146,1033 5.593,1034 8.517,1035 0.167,1036 10.386,1037 2.136,1038 6.066,1039 7.178,1040 3.388,1041 11.682,1042 5.821,1043 9.854,1044 -0.198,1045 12.089,1046 0.407,1047 7.575,1048 9.006,1049 4.59,1050 14.251,1051 7.273,1052 11.211,1053 -0.391,1054 13.816,1055 -0.523,1056 8.238,1057 9.843,1058 4.849,1059 16.145,1060 7.877,1061 12.583,1062 -0.567,1063 15.562,1064 -1.004,1065 9.507,1066 11.447,1067 5.84,1068 18.507,1069 9.094,1070 2.954,1071 -0.633,1072 17.321,1073 -1.364,1074 10.368,1075 12.486,1076 6.297,1077 20.569,1078 9.891,1079 2.828,1080 9.33,1081 19.09,1082 -1.45,1083 11.524,1084 13.972,1085 7.17,1086 22.843,1087 10.994,1088 2.507,1089 8.703,1090 20.868,1091 3.789,1092 12.485,1093 15.124,1094 7.733,1095 24.983,1096 11.892,1097 2.209,1098 7.408,1099 22.651,1100 3.632,1101 13.589,1102 16.543,1103 8.539,1104 27.221,1105 12.941,1106 1.813,1107 5.986,1108 24.44,1109 2.921,1110 14.601,1111 17.762,1112 9.162,1113 29.399,1114 13.891,1115 1.714,1116 4.968,1117 26.233,1118 2.619,1119 15.681,1120 19.142,1121 9.928,1122 31.622,1123 14.916,1124 1.414,1125 4.215,1126 28.03,1127 2.426,1128 16.72,1129 20.399,1130 10.586,1131 33.82,1132 15.893,1133 6305,1134 11515,1135 17.394,1136 26.654,1137 38.47,1138 40.042,1139 39.032,1140 38.025,1141 38.086,1142 47.115,1143 13.034,1144 104.512,1145 36.186,1146 5.266,1147 5.686,1148 6.004,1149 4.998,1150 4.954,1151 6.789,1152 3.592,1153 15.616,1154 4.786,1155 10.501,1156 1.48,1157 1.54,1158 1.501,1159 1.463,1160 1.465,1161 1.812,1162 0.501,1163 4.02,1164 1.392,1165 3.951,1166 3.992,1167 3.902,1168 3.834,1169 8.201,1170 3.841,1171 3.876,1172 3.917,1173 3.824,1174 3.705,1175 7.432,1176 3.731,1177 3.679,1178 3.729,1179 3.573,1180 3.462,1181 7.427,1182 3.48,1183 3.458,1184 3.486,1185 3.389,1186 3.25,1187 4.763,1188 3.275,1189 3.111,1190 3.206,1191 2.916,1192 2.941,1193 4.661,1194 2.91,1195 2.996,1196 3.064,1197 2.868,1198 2.805,1199 4.575,1200 2.817,1201 2.944,1202 2.991,1203 2.866,1204 2.733,1205 3.968,1206 2.734,1207 2.897,1208 2.956,1209 2.817,1210 2.596,1211 3.863,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.266,1219 0.146,1220 3.686,1221 0.078,1222 6.203,1223 0.359,1224 3.895,1225 0.107,1226 2.954,1227 3.789,1228 2.028,1229 9.33,1230 2.786,1231 1.883,1232 1.854,1233 1.988,1234 2.036,1235 1.209,1236 2.015,1237 1.8,1238 1.753,1239 1.947,1240 1.987,1241 1.056,1242 1.981,1243 1.607,1244 1.556,1245 1.784,1246 1.846,1247 0.932,1248 1.83,1249 1.366,1250 1.335,1251 1.531,1252 1.604,1253 0.825,1254 1.577,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.614,1260 1.429,1261 0.944,1262 0.88,1263 1.181,1264 1.192,1265 0.237,1266 1.191,1267 0.859,1268 0.804,1269 1.098,1270 1.146,1271 0.204,1272 1.113,1273 0.777,1274 0.72,1275 1.063,1276 1.068,1277 0.128,1278 1.077,1279 3.97,1281 5.263,1283 6.746,1285 8.316,1287 9.928,1291 13.553,1295 2.256,1296 5.006,1297 5.269,1300 1.928,1305 26.301,1306 73.418,1307 156.831,1308 185.66,1309 195.66,1310 197.66,1311 197.66,1312 52.212,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.14,1318 3.459,1319 3,1320 39.29,1321 87,1322 76,1323 0.218,1324 161.94,1325 295.34,1326 386.894,1327 8208,1328 2.4,1329 16.941,1330 0.706,1331 0.538,1332 16.071,1333 12.919,1334 11.614,1335 0.447,1336 0.292,1337 7.42,1338 10.928,1339 7.339,1340 5.998,1341 11.204,1342 7.59,1343 10.435,1344 0.298,1345 0.153,1346 9.917,1347 5.355,1348 8.123,1349 0.189,1350 0.083,1351 7.59,1352 3.588,1353 6.911,1354 0.126,1355 0.044,1356 6.643,1357 2.441,1358 5.406,1359 0.082,1360 0.024,1361 5.107,1362 1.578,1363 0.342,1364 74.506,1365 0.24,1366 23.572,1367 0.594,1368 122,1369 485.274,1370 141.825,1371 429.544,1372 561.24,1373 400,1374 139,1375 389.383,1376 157.506,1377 381.457,1378 554.97,1379 359,1380 5}
{0 CHEMBL2151820,1 1.791,2 10.208,3 0.86,4 0.739,5 84.647,6 8.107,7 0.231,8 3.84,9 3.956,10 3.462,11 3.294,12 5.022,13 3.321,14 4.381,15 4.544,16 3.808,17 3.646,18 5.616,19 3.656,20 4.629,21 4.839,22 3.782,23 3.742,24 5.807,25 3.727,26 4.554,27 4.781,28 3.749,29 3.683,30 5.803,31 3.633,32 4.519,33 4.733,34 3.665,35 3.608,36 5.747,37 3.59,38 4.459,39 4.651,40 3.683,41 3.523,42 5.948,43 3.513,44 4.404,45 4.632,46 3.444,47 3.396,48 5.638,49 3.368,50 4.242,51 4.478,52 3.368,53 3.252,54 5.505,55 3.238,56 0.14,57 0.689,58 7.316,59 3.366,60 13.591,61 4.147,62 0.458,63 1.051,64 15.209,65 5.493,66 31.022,67 7.025,68 0.755,69 1.218,70 22.615,71 6.287,72 75.896,73 8.281,74 0.641,75 1.112,76 20.916,77 6.992,78 59.605,79 9.824,80 0.629,81 1.004,82 20.61,83 6.088,84 76.345,85 8.073,86 0.759,87 0.91,88 19.004,89 5.846,90 117.2,91 7.77,92 0.716,93 0.851,94 19.483,95 5.085,96 88.259,97 6.928,98 0.581,99 0.744,100 16.848,101 4.354,102 62.683,103 6.198,104 10,105 35,106 0.317,107 0.678,108 0.811,109 0.854,110 0.854,111 0.854,112 3.228,113 0.875,114 -3.45,115 -3.42,116 -3.27,119 39,121 1,125 4,135 1,139 1,142 4,144 2,158 3,172 2,174 1,175 5,178 3,180 5,183 3,186 1,192 1,195 1,198 3,199 4,202 3,203 1,204 1,207 3,211 1,212 2,220 1,223 2,224 4,227 2,229 3,232 1,236 1,237 2,240 1,242 1,250 5,255 1,258 2,262 1,263 2,266 1,271 1,275 836,276 16.102,277 16.102,278 16.102,279 16.102,280 16.102,281 14.626,282 22.507,283 9.767,284 16.551,285 12.904,286 12.904,287 12.904,288 12.904,289 12.904,290 10.565,291 28.9,292 4.737,293 13.615,294 3.567,295 1.532,296 0.78,297 0.537,298 0.537,299 0.537,300 3.91,304 1,305 1,306 523,307 2.828,311 248.261,318 1.559,319 36.469,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 245,332 4.263,333 3.682,334 6.202,335 3.892,336 2.951,337 3.669,338 2.028,339 9.329,340 2.781,341 4.07,342 3.516,343 5.626,344 3.677,345 2.711,346 3.626,347 1.408,348 7.799,349 2.612,350 3.74,351 3.122,352 5.458,353 3.448,354 2.498,355 2.949,356 0.993,357 7.281,358 2.371,359 3.528,360 2.95,361 5.017,362 3.231,363 2.242,364 2.648,365 0.86,366 6.038,367 2.201,368 3.351,369 2.782,370 4.765,371 2.902,372 1.939,373 2.537,374 0.849,375 5.345,376 1.844,377 3.133,378 2.31,379 4.459,380 2.678,381 1.737,382 2.278,383 0.25,384 4.511,385 1.633,386 2.888,387 2.281,388 4.331,389 2.592,390 1.639,391 1.874,392 0.129,393 4.181,394 1.53,395 2.658,396 1.554,397 3.491,398 2.171,399 1.181,400 1.727,402 2.611,403 1.165,404 2.213,405 1.275,406 3.479,407 1.952,408 1.068,409 1.153,411 2.582,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.302,423 0.819,424 2.964,425 0.957,430 1.187,431 0.703,432 2.566,433 0.712,434 -0.305,435 -0.391,436 -0.752,437 -0.299,438 1,439 0.36,440 2.445,441 0.614,442 -0.393,443 -0.502,445 -0.994,446 -0.375,447 0.886,448 0.187,449 2.112,450 0.456,451 -0.441,452 -0.543,454 -1.065,455 -0.39,456 0.618,457 -0.205,458 2,459 0.379,460 -0.599,461 -0.744,463 -1.407,464 -0.593,465 10.886,466 0.454,467 0.575,468 0.024,469 29,470 1.208,471 12.5,472 0.521,473 16.5,474 0.688,475 17.773,476 0.741,477 26.914,478 0.656,479 22.252,480 0.927,481 6.191,482 0.258,483 5.406,484 0.225,485 0.087,487 0.312,491 1,493 0.714,494 1.332,495 0.693,496 1.196,497 0.534,498 0.98,499 0.831,500 1.135,501 0.862,502 1.092,503 0.56,504 1.012,505 1.233,506 0.995,507 1.173,508 0.88,509 1.083,510 0.962,511 0.52,512 0.865,513 0.81,514 1.063,515 0.646,516 1.042,517 1.111,518 0.925,519 1.033,520 0.961,521 1.227,522 0.957,523 0.866,524 0.983,525 0.946,526 1.103,527 0.964,528 1.07,529 1.18,530 0.905,531 1.123,532 0.875,533 1.303,534 0.948,535 1.044,536 0.698,537 0.883,538 0.745,539 1.012,540 0.761,541 5.5,542 0.066,543 1.556,544 1.75,545 0.987,546 0.819,547 0.364,548 0.266,549 0.185,550 0.14,551 6588,552 21797,553 2.064,554 41.5,556 13,559 2,560 2,564 1.668,565 1.946,566 3.349,567 0.378,569 1,571 1,573 73.418,574 1.791,575 3.825,576 4.577,577 4.821,578 4.821,579 4.821,580 2.772,581 4.022,582 4.559,583 3.5,584 965.947,585 7.86,586 11585.7,587 1,588 1,591 219.66,592 1.347,593 4.522,594 0.212,595 0.004,596 0.044,597 0.053,598 0.032,599 0.028,600 0.013,601 0.012,602 0.009,603 0.008,604 0.415,605 0.33,606 1,607 0.566,608 115.02,609 -0.08,610 -0.23,611 0.035,612 -0.112,613 -0.032,614 -0.02,615 -0.014,616 -0.133,617 -0.011,618 -0.097,619 0.046,620 -0.073,621 -0.26,622 -0.01,623 -0.218,624 0.047,625 -0.171,626 -0.039,627 0.233,628 0.059,629 0.131,630 -0.085,631 0.128,632 -0.038,633 -0.158,634 -0.015,635 -0.063,636 -0.01,637 -0.157,638 0.004,639 0.152,640 -0.131,641 0.024,642 -0.148,643 0.21,644 -0.118,645 -0.121,646 -0.02,647 -0.099,648 0.035,649 -0.163,650 -0.005,651 -0.033,652 0.131,653 0.15,654 0.171,655 -0.017,656 0.206,657 2.103,658 5.129,659 0.75,660 20.333,661 1.027,662 1.143,663 2.215,664 4.908,665 0.65,666 3.296,667 3.584,668 3.761,669 4.025,670 4.19,671 4.174,672 4.174,673 4.263,674 4.22,675 4.263,676 6.163,677 0.641,678 332.37,679 3.296,680 4.812,681 5.624,682 6.482,683 7.307,684 8.169,685 9,686 9.864,687 10.698,688 11.563,689 9.8,692 1,696 2,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 26,737 43,738 16,739 6,740 2,741 4,742 4,746 3,747 3,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 17,782 8,783 2,784 8,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 2,856 1,859 1,869 1,870 7.3,873 2,874 1,877 12.333,878 7.21,879 5.278,880 2.358,881 1.685,882 1.246,883 0.972,884 5.233,885 8.524,886 3.526,887 4.016,888 4.41,889 4.917,890 5.285,891 5.362,892 5.338,893 5.625,894 5.534,895 5.858,896 0.857,897 33,898 8.921,900 3.835,901 8.125,902 16.459,904 13.173,905 2.625,906 63,910 176.567,911 89.255,912 55.931,914 61.29,915 14.96,917 89.255,918 237.856,919 70.891,921 51.952,922 47.381,923 73.027,924 34.116,925 14.96,926 176.567,928 176.567,929 145.186,930 76.25,933 191.527,934 50.29,935 11,937 71.862,938 63.848,939 9.476,941 191.527,942 117.221,943 89.255,946 176.567,947 41.874,948 50.506,949 36.022,950 93.035,951 176.567,952 132.181,953 89.255,955 0.573,956 0.313,957 0.176,958 0.096,959 16,960 7,961 0.093,962 4,964 1,965 3.679,966 186.063,968 18,969 106.039,974 16.618,975 7.557,976 4.637,978 132.181,979 5.601,984 -0.083,986 36.022,987 398.003,988 33,993 23.866,995 1.402,996 4.336,997 0.08,999 42.087,1000 46.868,1001 0.334,1002 0.714,1003 0.854,1004 0.9,1005 0.9,1006 0.9,1007 4.758,1008 1.181,1009 5.587,1010 4.181,1011 4.263,1012 4.7,1013 2.784,1014 6.319,1015 4.164,1016 5.928,1017 1.068,1018 7.089,1019 2.611,1020 3.761,1021 4.407,1022 1.912,1023 6.986,1024 3.628,1025 7.206,1026 1,1027 8.682,1028 2.582,1029 5.778,1030 6.706,1031 3.513,1032 10.059,1033 5.584,1034 8.508,1036 10.326,1037 2.136,1038 6.019,1039 7.125,1040 3.388,1041 11.52,1042 5.783,1043 9.836,1044 -0.305,1045 12.004,1047 7.531,1048 8.96,1049 4.59,1050 14.092,1051 7.239,1052 11.182,1053 -0.393,1054 13.705,1055 -0.752,1056 8.153,1057 9.738,1058 4.849,1059 15.934,1060 7.81,1061 12.543,1062 -0.441,1063 15.424,1064 -0.994,1065 9.426,1066 11.352,1067 5.84,1068 18.297,1069 9.029,1070 2.951,1071 -0.599,1072 17.157,1073 -1.065,1074 10.253,1075 12.332,1076 6.297,1077 20.331,1078 9.798,1079 2.711,1080 9.329,1081 18.902,1082 -1.407,1083 11.409,1084 13.823,1085 7.17,1086 22.605,1087 10.902,1088 2.498,1089 7.799,1090 20.656,1091 3.669,1092 12.346,1093 14.922,1094 7.733,1095 24.735,1096 11.778,1097 2.242,1098 7.281,1099 22.419,1100 3.626,1101 13.447,1102 16.342,1103 8.539,1104 26.975,1105 12.825,1106 1.939,1107 6.038,1108 24.189,1109 2.949,1110 14.443,1111 17.512,1112 9.162,1113 29.153,1114 13.759,1115 1.737,1116 5.345,1117 25.965,1118 2.648,1119 15.52,1120 18.888,1121 9.928,1122 31.38,1123 14.78,1124 1.639,1125 4.511,1126 27.746,1127 2.537,1128 16.548,1129 20.103,1130 10.586,1131 33.582,1132 15.746,1133 6376,1134 11716,1135 17.394,1136 26.654,1137 38.369,1138 40.048,1139 38.85,1140 37.915,1141 37.933,1142 46.925,1143 13.034,1144 103.625,1145 36.032,1146 5.263,1147 5.682,1148 6.004,1149 4.995,1150 4.951,1151 6.669,1152 3.592,1153 15.602,1154 4.781,1155 10.623,1156 1.476,1157 1.54,1158 1.494,1159 1.458,1160 1.459,1161 1.805,1162 0.501,1163 3.986,1164 1.386,1165 3.95,1166 3.992,1167 3.899,1168 3.834,1169 8.201,1170 3.84,1171 3.876,1172 3.917,1173 3.824,1174 3.705,1175 7.432,1176 3.731,1177 3.679,1178 3.73,1179 3.574,1180 3.462,1181 7.427,1182 3.48,1183 3.46,1184 3.488,1185 3.396,1186 3.25,1187 4.763,1188 3.276,1189 3.111,1190 3.206,1191 2.933,1192 2.941,1193 4.659,1194 2.91,1195 3.002,1196 3.068,1197 2.871,1198 2.805,1199 4.575,1200 2.82,1201 2.944,1202 2.991,1203 2.866,1204 2.733,1205 3.952,1206 2.733,1207 2.894,1208 2.954,1209 2.797,1210 2.596,1211 3.852,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.263,1219 0.141,1220 3.682,1221 0.078,1222 6.202,1223 0.359,1224 3.892,1225 0.107,1226 2.951,1227 3.669,1228 2.028,1229 9.329,1230 2.781,1231 1.883,1232 1.854,1233 1.987,1234 2.036,1235 1.209,1236 2.015,1237 1.8,1238 1.753,1239 1.947,1240 1.987,1241 1.057,1242 1.981,1243 1.607,1244 1.556,1245 1.783,1246 1.846,1247 0.931,1248 1.83,1249 1.365,1250 1.334,1251 1.528,1252 1.604,1253 0.825,1254 1.576,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.613,1260 1.429,1261 0.942,1262 0.879,1263 1.181,1264 1.193,1265 0.236,1266 1.189,1267 0.857,1268 0.803,1269 1.089,1270 1.147,1271 0.204,1272 1.113,1273 0.777,1274 0.72,1275 1.065,1276 1.068,1277 0.122,1278 1.075,1279 3.97,1281 5.263,1283 6.739,1285 8.3,1287 9.904,1291 13.129,1295 2.328,1296 5.13,1297 5.272,1300 1.937,1305 26.301,1306 73.418,1307 156.831,1308 187.66,1309 197.66,1310 197.66,1311 197.66,1312 50.773,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.117,1318 3.459,1319 3,1320 39.316,1321 88,1322 78,1323 0.215,1324 161.94,1325 295.34,1326 386.894,1327 8208,1328 2.4,1329 16.941,1330 0.706,1331 0.538,1332 16.071,1333 12.919,1334 11.597,1335 0.446,1336 0.292,1337 7.414,1338 10.902,1339 7.331,1340 5.99,1341 11.204,1342 7.584,1343 10.551,1344 0.301,1345 0.154,1346 9.917,1347 5.385,1348 7.91,1349 0.188,1350 0.084,1351 7.59,1352 3.549,1353 6.994,1354 0.127,1355 0.045,1356 6.643,1357 2.456,1358 5.237,1359 0.081,1360 0.024,1361 5.107,1362 1.563,1363 0.339,1364 74.405,1365 0.24,1366 23.631,1367 0.583,1368 122,1369 485.274,1370 141.825,1371 429.713,1372 560.64,1373 400,1374 138,1375 388.383,1376 155.66,1377 380.662,1378 551.65,1379 358,1380 5.206}
{0 CHEMBL2151821,1 1.791,2 10.792,3 0.86,4 0.739,5 84.647,6 8.107,7 0.231,8 3.84,9 3.956,10 3.462,11 3.294,12 5.022,13 3.321,14 4.381,15 4.544,16 3.808,17 3.646,18 5.615,19 3.656,20 4.629,21 4.839,22 3.782,23 3.742,24 5.815,25 3.727,26 4.553,27 4.78,28 3.711,29 3.683,30 5.764,31 3.628,32 4.509,33 4.726,34 3.665,35 3.61,36 5.727,37 3.582,38 4.457,39 4.651,40 3.635,41 3.523,42 5.831,43 3.507,44 4.401,45 4.628,46 3.498,47 3.397,48 5.753,49 3.371,50 4.246,51 4.481,52 3.306,53 3.251,54 5.45,55 3.238,56 0.14,57 0.689,58 7.316,59 3.366,60 13.591,61 4.147,62 0.458,63 1.051,64 15.209,65 5.493,66 30.966,67 7.025,68 0.755,69 1.218,70 22.615,71 6.287,72 74.845,73 8.281,74 0.625,75 1.084,76 20.948,77 7.007,78 62.472,79 9.727,80 0.608,81 0.962,82 20.289,83 6.034,84 66.989,85 8.445,86 0.685,87 0.909,88 18.983,89 5.85,90 96.244,91 7.656,92 0.761,93 0.83,94 19.317,95 5.063,96 105.286,97 7.183,98 0.556,99 0.736,100 17.014,101 4.406,102 65.706,103 5.869,104 10,105 35,106 0.317,107 0.678,108 0.794,109 0.82,110 0.82,111 0.82,112 3.228,113 0.875,114 -3.45,115 -3.42,116 -3.27,119 39,121 1,125 4,135 1,139 1,142 4,144 2,158 3,172 2,174 1,175 5,178 3,180 5,183 2,186 1,192 2,195 2,198 3,199 4,202 3,203 1,207 3,211 1,212 3,220 2,223 2,224 3,227 2,229 3,236 1,237 3,240 1,242 2,250 4,258 2,262 1,263 4,266 1,271 2,275 846,276 16.102,277 16.102,278 16.102,279 16.102,280 16.102,281 14.626,282 22.507,283 9.734,284 16.551,285 12.887,286 12.887,287 12.887,288 12.887,289 12.887,290 10.559,291 27.613,292 4.722,293 13.603,294 3.567,295 1.532,296 0.878,297 0.732,298 0.732,299 0.732,300 3.91,304 1,305 1,306 554,307 2.828,311 249.788,318 1.576,319 36.108,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54.5,331 259,332 4.263,333 3.682,334 6.202,335 3.891,336 2.951,337 3.648,338 2.028,339 9.329,340 2.78,341 4.043,342 3.516,343 5.594,344 3.656,345 2.687,346 3.615,347 1.408,348 7.688,349 2.596,350 3.746,351 3.122,352 5.419,353 3.443,354 2.492,355 2.972,356 0.993,357 7.167,358 2.365,359 3.542,360 2.92,361 5.024,362 3.242,363 2.264,364 2.698,365 0.86,366 6.057,367 2.204,368 3.394,369 2.785,370 4.839,371 2.967,372 2,373 2.579,374 0.849,375 5.546,376 1.903,377 3.183,378 2.389,379 4.502,380 2.704,381 1.744,382 2.314,383 0.25,384 4.619,385 1.668,386 2.888,387 2.287,388 4.334,389 2.6,390 1.66,391 1.873,392 0.129,393 4.189,394 1.534,395 2.5,396 1.554,397 3.49,398 2,399 1.069,400 1.5,402 2.607,403 1,404 2.213,405 1.256,406 3.414,407 1.952,408 1,409 1.153,411 2.275,412 0.946,413 2,414 1,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.418,423 0.865,424 2.98,425 1.102,426 0.172,427 0.199,428 0.425,429 0.158,430 1.288,431 0.728,432 2.567,433 0.794,434 -0.197,435 -0.232,436 -0.518,437 -0.19,438 1,439 0.647,440 2.452,441 0.618,442 -0.391,443 -0.501,445 -1.004,446 -0.379,447 0.696,448 0.104,449 2.112,450 0.382,451 -0.577,452 -0.697,454 -1.388,455 -0.548,456 0.613,457 -0.206,458 2,459 0.287,460 -0.684,461 -0.857,463 -1.62,464 -0.653,465 10.886,466 0.454,467 0.575,468 0.024,469 29,470 1.208,471 12.5,472 0.521,473 16.5,474 0.688,475 17.708,476 0.738,477 26.914,478 0.656,479 22.175,480 0.924,481 6.191,482 0.258,483 5.406,484 0.225,485 0.087,487 0.312,491 1,493 0.714,494 1.332,495 0.693,496 1.196,497 0.534,498 0.98,499 0.831,500 1.135,501 0.862,502 1.092,503 0.561,504 1.012,505 1.233,506 0.995,507 1.173,508 0.88,509 1.072,510 0.962,511 0.594,512 0.884,513 0.877,514 1.061,515 0.702,516 1.06,517 0.867,518 0.774,519 0.925,520 0.958,521 0.983,522 0.952,523 1.016,524 0.983,525 1.033,526 1.102,527 1.162,528 1.089,529 0.917,530 0.859,531 0.976,532 0.875,533 0.98,534 0.92,535 1.348,536 0.87,537 1.055,538 0.747,539 1.269,540 0.784,541 5.5,542 0.07,543 1.778,544 1.5,545 1.067,546 0.764,547 0.446,548 0.227,549 0.234,550 0.124,551 6664,552 22325,553 2.064,554 41.5,556 13,559 2,560 2,564 1.667,565 1.946,566 3.407,567 0.378,569 1,571 1,573 73.418,574 1.791,575 3.825,576 4.48,577 4.626,578 4.626,579 4.626,580 2.872,581 4.002,582 4.557,583 3.537,584 976.121,585 7.854,586 11711,587 1,588 1,591 219.66,592 1.347,593 4.522,594 0.212,595 0.005,596 0.051,597 0.045,598 0.036,599 0.026,600 0.017,601 0.01,602 0.012,603 0.007,604 0.42,605 0.33,606 1,607 0.566,608 115.272,609 -0.08,610 -0.23,611 0.035,612 -0.112,613 -0.032,614 -0.02,615 -0.014,616 -0.133,617 -0.011,618 -0.097,619 0.046,620 -0.073,621 -0.26,622 -0.01,623 -0.218,624 0.047,625 -0.16,626 -0.039,627 0.157,628 0.04,629 0.063,630 -0.083,631 0.071,632 -0.056,633 -0.036,634 0.025,635 0.027,636 -0.012,637 -0.065,638 0.025,639 -0.002,640 -0.131,641 -0.066,642 -0.147,643 0.006,644 -0.137,645 0.076,646 -0.037,647 0.039,648 0.032,649 0.079,650 0.033,651 -0.26,652 0.031,653 -0.012,654 0.172,655 -0.177,656 0.172,657 2.044,658 5.065,659 0.75,660 20.75,661 1.027,662 1.143,663 2.215,664 4.908,665 0.65,666 3.296,667 3.584,668 3.761,669 4.007,670 4.205,671 4.159,672 4.205,673 4.234,674 4.234,675 4.234,676 6.256,677 0.641,678 332.37,679 3.296,680 4.812,681 5.624,682 6.479,683 7.306,684 8.164,685 8.998,686 9.857,687 10.694,688 11.554,689 9.8,692 1,696 2,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 26,737 43,738 16,739 6,740 2,741 4,742 4,746 3,747 3,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 17,782 8,783 2,784 8,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,846 1,848 24,854 5,855 2,856 1,859 1,869 1,870 7.3,873 2,874 1,877 12.333,878 7.21,879 5.278,880 2.358,881 1.676,882 1.245,883 0.972,884 5.233,885 8.514,886 3.526,887 4.016,888 4.41,889 4.901,890 5.307,891 5.338,892 5.398,893 5.569,894 5.567,895 5.814,896 1,897 33,898 8.913,900 3.825,901 8.125,902 16.459,904 13.173,905 2.625,906 63,910 176.567,911 89.255,912 55.931,914 61.29,915 14.96,917 89.255,918 237.856,919 70.891,921 51.952,922 47.381,923 73.027,924 34.116,925 14.96,926 176.567,928 176.567,929 145.186,930 76.25,933 191.527,934 50.29,935 11,937 71.862,938 63.848,939 9.476,941 191.527,942 117.221,943 89.255,946 176.567,947 41.874,948 50.506,949 36.022,950 93.035,951 176.567,952 132.181,953 89.255,955 0.574,956 0.314,957 0.172,958 0.098,959 16,960 7,961 0.093,962 4,964 1,965 3.692,966 185.448,968 18,969 102.039,974 16.618,975 7.557,976 4.637,978 132.181,979 5.449,984 0.102,986 36.022,987 398.003,988 33,993 23.869,995 1.409,996 4.347,997 0.162,999 42.087,1000 46.868,1001 0.334,1002 0.714,1003 0.836,1004 0.863,1005 0.863,1006 0.863,1007 4.758,1008 1.069,1009 5.587,1010 4.189,1011 4.263,1012 4.7,1013 2.784,1014 6.315,1015 4.164,1016 5.928,1017 1,1018 7.089,1019 2.607,1020 3.761,1021 4.407,1022 1.912,1023 6.986,1024 3.628,1025 7.206,1026 1,1027 8.681,1028 2.275,1029 5.778,1030 6.706,1031 3.513,1032 10.044,1033 5.584,1034 8.508,1035 0.172,1036 10.324,1037 2.136,1038 6.019,1039 7.125,1040 3.388,1041 11.507,1042 5.783,1043 9.836,1044 -0.197,1045 12,1046 0.425,1047 7.528,1048 8.956,1049 4.59,1050 14.068,1051 7.236,1052 11.181,1053 -0.391,1054 13.699,1055 -0.518,1056 8.145,1057 9.726,1058 4.849,1059 15.911,1060 7.802,1061 12.54,1062 -0.577,1063 15.416,1064 -1.004,1065 9.416,1066 11.338,1067 5.84,1068 18.269,1069 9.02,1070 2.951,1071 -0.684,1072 17.147,1073 -1.388,1074 10.237,1075 12.305,1076 6.297,1077 20.306,1078 9.785,1079 2.687,1080 9.329,1081 18.89,1082 -1.62,1083 11.392,1084 13.796,1085 7.17,1086 22.579,1087 10.887,1088 2.492,1089 7.688,1090 20.642,1091 3.648,1092 12.325,1093 14.882,1094 7.733,1095 24.711,1096 11.759,1097 2.264,1098 7.167,1099 22.403,1100 3.615,1101 13.425,1102 16.301,1103 8.539,1104 26.951,1105 12.806,1106 2,1107 6.057,1108 24.172,1109 2.972,1110 14.419,1111 17.459,1112 9.162,1113 29.132,1114 13.737,1115 1.744,1116 5.546,1117 25.947,1118 2.698,1119 15.495,1120 18.834,1121 9.928,1122 31.361,1123 14.757,1124 1.66,1125 4.619,1126 27.728,1127 2.579,1128 16.521,1129 20.038,1130 10.586,1131 33.566,1132 15.721,1133 6448,1134 11918,1135 17.394,1136 26.654,1137 38.494,1138 40.008,1139 38.861,1140 38.029,1141 38.079,1142 47.103,1143 13.034,1144 104.074,1145 36.177,1146 5.263,1147 5.682,1148 6.004,1149 4.995,1150 4.951,1151 6.648,1152 3.592,1153 15.601,1154 4.78,1155 10.728,1156 1.481,1157 1.539,1158 1.495,1159 1.463,1160 1.465,1161 1.812,1162 0.501,1163 4.003,1164 1.391,1165 3.95,1166 3.992,1167 3.898,1168 3.834,1169 8.201,1170 3.84,1171 3.876,1172 3.917,1173 3.823,1174 3.705,1175 7.432,1176 3.731,1177 3.679,1178 3.73,1179 3.575,1180 3.462,1181 7.427,1182 3.48,1183 3.461,1184 3.489,1185 3.399,1186 3.25,1187 4.763,1188 3.277,1189 3.111,1190 3.206,1191 2.954,1192 2.941,1193 4.659,1194 2.91,1195 3.014,1196 3.076,1197 2.873,1198 2.803,1199 4.575,1200 2.828,1201 2.944,1202 2.992,1203 2.866,1204 2.735,1205 3.931,1206 2.715,1207 2.854,1208 2.925,1209 2.703,1210 2.596,1211 3.772,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.263,1219 0.14,1220 3.682,1221 0.078,1222 6.202,1223 0.359,1224 3.891,1225 0.107,1226 2.951,1227 3.648,1228 2.028,1229 9.329,1230 2.78,1231 1.884,1232 1.855,1233 1.987,1234 2.036,1235 1.209,1236 2.015,1237 1.8,1238 1.753,1239 1.946,1240 1.987,1241 1.057,1242 1.981,1243 1.607,1244 1.556,1245 1.783,1246 1.846,1247 0.931,1248 1.83,1249 1.364,1250 1.334,1251 1.526,1252 1.605,1253 0.825,1254 1.574,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.613,1260 1.429,1261 0.927,1262 0.869,1263 1.181,1264 1.194,1265 0.218,1266 1.179,1267 0.886,1268 0.821,1269 1.123,1270 1.147,1271 0.212,1272 1.109,1273 0.776,1274 0.72,1275 1.062,1276 1.062,1277 0.146,1278 1.107,1279 3.97,1281 5.263,1283 6.739,1285 8.298,1287 9.899,1291 12.861,1295 2.379,1296 5.202,1297 5.275,1300 1.945,1305 26.301,1306 73.418,1307 156.831,1308 183.66,1309 189.66,1310 189.66,1311 189.66,1312 50.021,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.109,1318 3.459,1319 3,1320 39.354,1321 89,1322 94,1323 0.212,1324 161.94,1325 295.34,1326 386.894,1327 8208,1328 2.4,1329 16.941,1330 0.706,1331 0.538,1332 16.071,1333 12.919,1334 11.597,1335 0.446,1336 0.292,1337 7.414,1338 10.902,1339 7.331,1340 5.989,1341 11.204,1342 7.584,1343 10.539,1344 0.301,1345 0.154,1346 9.917,1347 5.382,1348 8,1349 0.19,1350 0.085,1351 7.59,1352 3.568,1353 6.785,1354 0.126,1355 0.045,1356 6.643,1357 2.423,1358 5.398,1359 0.082,1360 0.024,1361 5.107,1362 1.583,1363 0.336,1364 74.405,1365 0.24,1366 23.697,1367 0.573,1368 122,1369 485.274,1370 141.825,1371 429.648,1372 560.62,1373 400,1374 138,1375 388.383,1376 155.66,1377 380.525,1378 551.36,1379 358,1380 5.542}
{0 CHEMBL2151822,1 1.626,2 10.167,3 1.14,4 1.301,5 89.472,6 7.464,7 0.231,8 3.89,9 4.013,10 3.451,11 3.359,12 4.996,13 3.361,14 4.436,15 4.615,16 3.788,17 3.72,18 5.552,19 3.699,20 4.666,21 4.876,22 3.787,23 3.84,24 5.74,25 3.793,26 4.657,27 4.891,28 3.738,29 3.813,30 5.768,31 3.725,32 4.645,33 4.884,34 3.691,35 3.731,36 5.764,37 3.672,38 4.55,39 4.75,40 3.636,41 3.615,42 5.873,43 3.571,44 4.484,45 4.731,46 3.465,47 3.489,48 5.606,49 3.426,50 4.319,51 4.563,52 3.333,53 3.362,54 5.421,55 3.324,56 0.062,57 0.665,58 9.043,59 3.665,60 7.319,61 4.969,62 0.357,63 1.025,64 17.852,65 6,66 28.805,67 8.405,68 0.505,69 1.203,70 23.891,71 6.827,72 48.131,73 9.95,74 0.491,75 1.168,76 23.707,77 7.853,78 48.02,79 11.575,80 0.425,81 1.072,82 24.304,83 7.273,84 51.965,85 10.633,86 0.594,87 0.953,88 21.932,89 6.505,90 91.201,91 8.981,92 0.532,93 0.881,94 21.426,95 5.7,96 63.91,97 8.608,98 0.407,99 0.766,100 18.054,101 4.433,102 45.604,103 6.637,104 10,105 35,106 0.284,107 0.645,108 0.799,109 0.839,110 0.847,111 0.847,112 3.228,113 0.912,114 -3.3,115 -3.28,116 -3.15,119 38.6,120 1,121 1,125 4,135 1,139 1,142 4,143 1,144 1,158 3,172 5,174 1,175 5,178 3,180 5,183 5,186 1,192 3,195 4,198 3,199 4,202 3,203 1,204 1,207 4,211 1,212 4,220 3,223 2,224 4,227 2,229 3,232 1,236 1,237 4,240 1,242 3,250 5,255 1,258 2,262 1,263 6,266 1,271 3,275 826,276 16.154,277 16.154,278 16.154,279 16.154,280 16.154,281 14.65,282 21.474,283 9.79,284 16.537,285 12.882,286 12.882,287 12.882,288 12.882,289 12.882,290 10.539,291 26.161,292 4.717,293 13.468,294 3.834,295 1.766,296 0.881,297 0.654,298 0.608,299 0.608,300 3.91,304 1,305 1,306 521,307 2.828,311 246.946,318 1.514,319 27.567,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 53,331 244,332 4.266,333 3.684,334 6.203,335 3.897,336 2.954,337 3.789,338 2.028,339 9.33,340 2.805,341 4.18,342 3.518,343 6.054,344 3.805,345 2.828,346 3.632,347 1.408,348 8.703,349 2.745,350 3.732,351 3.123,352 5.512,353 3.462,354 2.507,355 2.921,356 0.993,357 7.408,358 2.399,359 3.511,360 2.909,361 5.011,362 3.218,363 2.209,364 2.619,365 0.86,366 5.986,367 2.202,368 3.291,369 2.765,370 4.639,371 2.8,372 1.813,373 2.426,374 0.849,375 4.968,376 1.771,377 2.895,378 2.289,379 4.342,380 2.621,381 1.714,382 2.038,383 0.25,384 4.215,385 1.548,386 2.871,387 1.67,388 4.074,389 2.414,390 1.414,391 1.92,392 0.129,393 3.541,394 1.414,395 2.802,396 1.554,397 3.595,398 2.365,399 1.37,400 1.863,402 2.957,403 1.358,404 2.213,405 1.472,406 3.49,407 1.952,408 1.068,409 1.153,411 2.606,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.417,423 0.822,424 2.965,425 1.136,426 0.167,427 0.196,428 0.407,429 0.161,430 1.288,431 0.705,432 2.567,433 0.806,434 -0.198,435 -0.233,436 -0.523,437 -0.197,438 1,439 0.49,440 2.45,441 0.619,442 -0.391,443 -0.501,445 -1.004,446 -0.379,447 0.781,448 -0.073,449 2.112,450 0.41,451 -0.567,452 -0.69,454 -1.364,455 -0.554,456 0.618,457 -0.208,458 2,459 0.375,460 -0.633,461 -0.817,463 -1.45,464 -0.64,465 11.1,466 0.463,467 0.558,468 0.023,469 28.75,470 1.198,471 12.5,472 0.521,473 16.25,474 0.677,475 18.786,476 0.783,477 26.7,478 0.607,479 21.428,480 0.893,481 6.044,482 0.252,483 5.571,484 0.232,485 0.105,487 0.306,493 0.783,494 1.525,495 0.777,496 1.214,497 0.561,498 1.018,499 0.896,500 1.175,501 0.887,502 1.034,503 0.576,504 0.972,505 1.279,506 1.078,507 1.155,508 0.94,509 1.126,510 0.997,511 0.523,512 0.986,513 0.92,514 1.103,515 0.646,516 1.09,517 1.049,518 0.985,519 0.92,520 0.971,521 1.24,522 0.919,523 1.327,524 1.098,525 1.118,526 1.095,527 1.738,528 1.085,529 1.139,530 0.993,531 0.973,532 0.872,533 1.368,534 0.883,535 1.518,536 0.792,537 1.08,538 0.68,539 1.377,540 0.752,541 5,542 0.054,543 2,544 1.625,545 1.147,546 0.708,547 0.446,548 0.203,549 0.23,550 0.157,551 6512,552 17975,553 2.064,554 45.5,555 3,556 13,559 2,560 2,564 1.669,565 1.946,566 3.329,567 0.337,568 1,569 1,571 1,573 71.535,574 1.626,575 3.693,576 4.579,577 4.806,578 4.851,579 4.851,580 2.736,581 3.939,582 4.559,583 3.474,584 958.951,585 7.864,586 11457.7,588 1,591 240.215,592 1.347,593 4.522,594 0.192,595 0.004,596 0.057,597 0.048,598 0.037,599 0.024,600 0.017,601 0.009,602 0.011,603 0.008,604 0.406,605 0.33,606 1,607 0.566,608 114.755,609 -0.066,610 -0.264,611 0.048,612 -0.106,613 -0.037,614 -0.02,615 0.049,616 -0.046,617 0.033,618 -0.023,619 0.062,620 -0.012,621 -0.231,622 -0.007,623 -0.191,624 0.009,625 -0.165,626 -0.066,627 0.235,628 0.046,629 0.021,630 -0.12,631 0.133,632 -0.103,633 -0.05,634 -0.025,635 0.071,636 -0.009,637 -0.048,638 0.054,639 0.016,640 -0.138,641 -0.104,642 -0.136,643 0.026,644 -0.151,645 0.009,646 -0.066,647 0.058,648 0.044,649 -0.069,650 0.06,651 -0.3,652 0.186,653 -0.044,654 0.206,655 -0.186,656 0.158,657 1.926,658 5.226,659 0.75,660 19.917,661 1.01,662 1.135,663 2.068,664 4.277,665 0.647,666 3.296,667 3.584,668 3.784,669 4.025,670 4.205,671 4.143,672 4.19,673 4.248,674 4.263,675 4.248,676 6.079,677 0.624,678 328.41,679 3.296,680 4.812,681 5.631,682 6.488,683 7.322,684 8.182,685 9.022,686 9.883,687 10.725,688 11.587,689 9.1,692 1,696 2,698 1,704 4,709 2,711 6,731 44,733 10,734 1,735 26,737 46,738 17,739 6,740 2,741 4,742 4,746 3,747 3,752 1,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,781 20,782 7,783 2,784 7,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 2,856 1,859 1,870 6.8,873 2,874 1,877 12.333,878 8.067,879 5.306,880 2.579,881 1.714,882 1.251,883 0.967,884 5.283,885 8.553,886 3.526,887 4.016,888 4.428,889 4.912,890 5.296,891 5.312,892 5.361,893 5.589,894 5.626,895 5.821,896 0.857,897 34,898 8.902,900 3.748,901 7.875,902 16.813,904 13.452,905 2.375,906 57,910 211.88,911 92.145,912 55.931,914 61.29,917 92.145,918 273.17,919 55.931,920 8.825,921 51.952,922 47.381,923 73.027,924 28.18,926 211.88,928 211.88,929 148.076,930 61.29,933 211.88,934 50.29,935 11,937 80.687,938 57.912,939 9.476,941 211.88,942 117.221,943 92.145,946 211.88,947 35.938,948 59.331,949 36.022,950 78.075,951 211.88,952 117.221,953 92.145,955 0.573,956 0.322,957 0.178,958 0.098,959 16,960 7,961 0.087,962 4,964 1,965 3.662,966 186.978,968 18,969 104.039,974 16.681,975 7.6,976 4.442,978 117.221,979 7.542,984 1.739,986 36.022,987 421.246,988 33,993 24.089,995 1.452,996 4.415,997 0.465,999 44.458,1000 49.943,1001 0.298,1002 0.676,1003 0.839,1004 0.88,1005 0.889,1006 0.889,1007 4.758,1008 1.37,1009 5.595,1010 3.541,1011 4.263,1012 4.7,1013 2.784,1014 6.34,1015 4.183,1016 5.928,1017 1.068,1018 7.109,1019 2.957,1020 3.761,1021 4.407,1022 1.912,1023 7.066,1024 3.675,1025 7.209,1026 1,1027 8.719,1028 2.606,1029 5.79,1030 6.717,1031 3.513,1032 10.146,1033 5.63,1034 8.517,1035 0.167,1036 10.386,1037 2.136,1038 6.066,1039 7.178,1040 3.388,1041 11.682,1042 5.891,1043 9.854,1044 -0.198,1045 12.089,1046 0.407,1047 7.575,1048 9.006,1049 4.59,1050 14.251,1051 7.333,1052 11.211,1053 -0.391,1054 13.816,1055 -0.523,1056 8.238,1057 9.843,1058 4.849,1059 16.145,1060 7.97,1061 12.583,1062 -0.567,1063 15.562,1064 -1.004,1065 9.507,1066 11.447,1067 5.84,1068 18.507,1069 9.181,1070 2.954,1071 -0.633,1072 17.321,1073 -1.364,1074 10.368,1075 12.486,1076 6.297,1077 20.569,1078 10.006,1079 2.828,1080 9.33,1081 19.09,1082 -1.45,1083 11.524,1084 13.972,1085 7.17,1086 22.843,1087 11.11,1088 2.507,1089 8.703,1090 20.868,1091 3.789,1092 12.485,1093 15.124,1094 7.733,1095 24.983,1096 12.029,1097 2.209,1098 7.408,1099 22.651,1100 3.632,1101 13.589,1102 16.543,1103 8.539,1104 27.221,1105 13.084,1106 1.813,1107 5.986,1108 24.44,1109 2.921,1110 14.601,1111 17.762,1112 9.162,1113 29.399,1114 14.052,1115 1.714,1116 4.968,1117 26.233,1118 2.619,1119 15.681,1120 19.142,1121 9.928,1122 31.622,1123 15.085,1124 1.414,1125 4.215,1126 28.03,1127 2.426,1128 16.72,1129 20.399,1130 10.586,1131 33.82,1132 16.078,1133 6305,1134 10597,1135 17.394,1136 28.478,1137 38.47,1138 39.854,1139 39.032,1140 38.002,1141 38.086,1142 47.115,1143 13.034,1144 104.512,1145 36.566,1146 5.266,1147 5.684,1148 6.004,1149 5,1150 4.954,1151 6.789,1152 3.592,1153 15.616,1154 4.805,1155 10.501,1156 1.48,1157 1.533,1158 1.501,1159 1.462,1160 1.465,1161 1.812,1162 0.501,1163 4.02,1164 1.406,1165 3.96,1166 4.001,1167 3.902,1168 3.867,1169 7.432,1170 3.866,1171 3.882,1172 3.926,1173 3.824,1174 3.707,1175 7.427,1176 3.734,1177 3.68,1178 3.73,1179 3.573,1180 3.462,1181 4.779,1182 3.481,1183 3.459,1184 3.488,1185 3.39,1186 3.25,1187 4.736,1188 3.276,1189 3.17,1190 3.257,1191 2.969,1192 3.024,1193 4.575,1194 3,1195 3.111,1196 3.206,1197 2.901,1198 2.941,1199 3.973,1200 2.91,1201 2.985,1202 3.056,1203 2.866,1204 2.796,1205 3.899,1206 2.803,1207 2.944,1208 2.989,1209 2.86,1210 2.598,1211 3.847,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.266,1219 0.146,1220 3.684,1221 0.078,1222 6.203,1223 0.359,1224 3.897,1225 0.108,1226 2.954,1227 3.789,1228 2.028,1229 9.33,1230 2.805,1231 1.918,1232 1.888,1233 2.039,1234 2.04,1235 1.209,1236 2.032,1237 1.802,1238 1.755,1239 1.948,1240 2.001,1241 1.14,1242 1.995,1243 1.608,1244 1.557,1245 1.786,1246 1.848,1247 0.938,1248 1.833,1249 1.367,1250 1.335,1251 1.553,1252 1.607,1253 0.825,1254 1.58,1255 1.208,1256 1.128,1257 1.53,1258 1.418,1259 0.615,1260 1.469,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.603,1266 1.429,1267 0.939,1268 0.874,1269 1.181,1270 1.188,1271 0.236,1272 1.187,1273 0.78,1274 0.721,1275 1.072,1276 1.145,1277 0.204,1278 1.113,1279 3.97,1281 5.263,1283 6.746,1285 8.316,1287 9.928,1289 1.925,1295 2.605,1296 5.475,1297 5.304,1300 1.988,1305 27.444,1306 71.535,1307 162.5,1308 201.46,1309 211.46,1310 213.46,1311 213.46,1312 43.387,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.14,1318 3.459,1319 3,1320 39.29,1321 87,1322 76,1323 0.218,1324 170.334,1325 306.57,1326 407.375,1327 8208,1329 16.941,1330 0.706,1331 0.564,1332 16.941,1333 13.541,1334 11.614,1335 0.447,1336 0.304,1337 7.756,1338 11.039,1339 7.584,1340 6.251,1341 11.614,1342 7.901,1343 10.435,1344 0.298,1345 0.163,1346 10.435,1347 5.69,1348 8.123,1349 0.189,1350 0.09,1351 8.123,1352 3.859,1353 6.911,1354 0.126,1355 0.047,1356 6.911,1357 2.592,1358 5.406,1359 0.082,1360 0.026,1361 5.406,1362 1.686,1363 0.342,1364 73.64,1365 0.24,1366 23.572,1367 0.594,1368 122,1369 399.163,1370 137.994,1371 376.161,1372 502.32,1373 352,1374 139,1375 356.05,1376 153.917,1377 356.337,1378 516.45,1379 335,1380 5}
{0 CHEMBL2151919,1 1.626,2 10.208,3 1.14,4 1.301,5 89.472,6 7.464,7 0.231,8 3.89,9 4.013,10 3.451,11 3.359,12 4.995,13 3.361,14 4.436,15 4.615,16 3.788,17 3.72,18 5.556,19 3.699,20 4.666,21 4.876,22 3.764,23 3.836,24 5.738,25 3.785,26 4.65,27 4.892,28 3.731,29 3.791,30 5.753,31 3.702,32 4.597,33 4.824,34 3.662,35 3.698,36 5.729,37 3.648,38 4.538,39 4.752,40 3.656,41 3.608,42 5.838,43 3.565,44 4.467,45 4.69,46 3.441,47 3.488,48 5.65,49 3.431,50 4.339,51 4.595,52 3.331,53 3.357,54 5.411,55 3.304,56 0.062,57 0.665,58 9.043,59 3.665,60 7.291,61 4.969,62 0.357,63 1.025,64 17.852,65 6,66 28.75,67 8.405,68 0.51,69 1.198,70 23.892,71 6.848,72 48.728,73 9.954,74 0.474,75 1.142,76 23.839,77 7.974,78 48.84,79 11.804,80 0.44,81 1.045,82 22.868,83 6.589,84 51.77,85 9.597,86 0.532,87 0.948,88 21.711,89 6.535,90 78.812,91 9.262,92 0.577,93 0.864,94 20.782,95 5.5,96 72.75,97 7.94,98 0.364,99 0.757,100 18.672,101 5.025,102 44.93,103 7.519,104 10,105 35,106 0.284,107 0.645,108 0.807,109 0.847,110 0.847,111 0.847,112 3.228,113 0.911,114 -3.3,115 -3.28,116 -3.15,119 38.6,120 1,121 1,125 4,135 1,139 1,142 4,143 1,144 1,158 3,172 5,174 1,175 5,178 3,180 5,183 6,186 1,192 2,195 3,198 3,199 4,202 3,203 1,204 2,207 4,211 1,212 3,220 2,223 2,224 5,227 2,229 3,232 2,236 1,237 3,240 1,242 2,250 6,255 2,258 2,262 1,263 4,266 1,271 2,275 836,276 16.102,277 16.102,278 16.102,279 16.102,280 16.102,281 14.626,282 23.305,283 9.767,284 16.488,285 12.904,286 12.904,287 12.904,288 12.904,289 12.904,290 10.565,291 30.339,292 4.737,293 13.493,294 3.834,295 1.766,296 0.835,297 0.608,298 0.608,299 0.608,300 3.91,304 1,305 1,306 523,307 2.828,311 248.261,318 1.559,319 27.392,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 53,331 245,332 4.263,333 3.682,334 6.202,335 3.892,336 2.951,337 3.669,338 2.028,339 9.329,340 2.782,341 4.07,342 3.516,343 5.626,344 3.69,345 2.711,346 3.626,347 1.408,348 7.799,349 2.65,350 3.74,351 3.122,352 5.458,353 3.457,354 2.498,355 2.949,356 0.993,357 7.281,358 2.401,359 3.528,360 2.806,361 5.017,362 3.243,363 2.242,364 2.648,365 0.86,366 6.038,367 2.217,368 3.351,369 2.715,370 4.765,371 2.928,372 1.939,373 2.537,374 0.849,375 5.345,376 1.906,377 3.133,378 2.29,379 4.459,380 2.689,381 1.737,382 2.278,383 0.25,384 4.511,385 1.663,386 2.888,387 2.139,388 4.331,389 2.597,390 1.639,391 1.874,392 0.129,393 4.181,394 1.534,395 2.658,396 1.554,397 3.491,398 2.179,399 1.181,400 1.727,402 2.611,403 1.178,404 2.213,405 1.256,406 3.479,407 1.952,408 1.068,409 1.153,411 2.582,412 0.946,413 2,414 1.24,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.302,423 0.819,424 2.964,425 0.957,430 1.187,431 0.703,432 2.566,433 0.716,434 -0.305,435 -0.391,436 -0.752,437 -0.306,438 1,439 0.352,440 2.445,441 0.616,442 -0.393,443 -0.502,445 -0.994,446 -0.38,447 0.886,448 -0.132,449 2.112,450 0.561,451 -0.441,452 -0.543,454 -1.065,455 -0.44,456 0.618,457 -0.206,458 2,459 0.379,460 -0.599,461 -0.744,463 -1.407,464 -0.594,465 11.1,466 0.463,467 0.575,468 0.024,469 28.75,470 1.198,471 12.5,472 0.521,473 16.25,474 0.677,475 18.634,476 0.776,477 26.7,478 0.607,479 21.39,480 0.891,481 6.028,482 0.251,483 5.569,484 0.232,485 0.105,487 0.306,493 0.783,494 1.525,495 0.777,496 1.214,497 0.562,498 1.018,499 0.896,500 1.175,501 0.887,502 1.034,503 0.569,504 0.972,505 1.29,506 1.064,507 1.194,508 0.958,509 1.146,510 1.028,511 0.451,512 0.992,513 0.815,514 1.075,515 0.6,516 1.03,517 1.197,518 1.001,519 1.046,520 0.977,521 1.386,522 0.967,523 1.081,524 1.079,525 0.946,526 1.063,527 1.332,528 0.999,529 1.447,530 0.973,531 1.196,532 0.921,533 1.835,534 0.994,535 1.268,536 0.917,537 0.878,538 0.759,539 1.213,540 0.74,541 5.5,542 0.066,543 1.556,544 1.75,545 0.987,546 0.819,547 0.364,548 0.266,549 0.185,550 0.14,551 6588,552 18107,553 2.064,554 45.5,555 3,556 13,559 2,560 2,564 1.668,565 1.946,566 3.349,567 0.337,568 1,569 1,571 1,573 71.535,574 1.626,575 3.693,576 4.624,577 4.851,578 4.851,579 4.851,580 2.772,581 4.022,582 4.559,583 3.5,584 965.947,585 7.86,586 11585.7,588 1,591 240.215,592 1.347,593 4.522,594 0.212,595 0.004,596 0.044,597 0.053,598 0.032,599 0.028,600 0.013,601 0.012,602 0.009,603 0.008,604 0.415,605 0.33,606 1,607 0.566,608 115.02,609 -0.066,610 -0.264,611 0.048,612 -0.106,613 -0.039,614 -0.02,615 0.049,616 -0.046,617 0.033,618 -0.023,619 0.069,620 -0.012,621 -0.242,622 0.007,623 -0.231,624 -0.009,625 -0.185,626 -0.097,627 0.289,628 0.007,629 0.134,630 -0.086,631 0.182,632 -0.028,633 -0.133,634 0.002,635 -0.058,636 -0.032,637 -0.135,638 -0.02,639 0.123,640 -0.125,641 0.062,642 -0.099,643 0.167,644 -0.045,645 -0.122,646 -0.021,647 -0.162,648 -0.006,649 -0.214,650 -0.077,651 -0.148,652 -0.014,653 0.158,654 0.167,655 -0.071,656 0.218,657 1.926,658 5.185,659 0.75,660 20.333,661 1.01,662 1.135,663 2.068,664 4.277,665 0.647,666 3.296,667 3.584,668 3.761,669 4.025,670 4.19,671 4.174,672 4.174,673 4.263,674 4.22,675 4.263,676 6.163,677 0.624,678 328.41,679 3.296,680 4.812,681 5.624,682 6.482,683 7.307,684 8.169,685 9,686 9.864,687 10.698,688 11.563,689 9.1,692 1,696 2,698 1,704 4,709 2,711 6,731 44,733 10,734 1,735 26,737 46,738 17,739 6,740 2,741 4,742 4,746 3,747 3,752 1,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,781 20,782 7,783 2,784 7,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 2,856 1,859 1,870 6.8,873 2,874 1,877 12.333,878 8.067,879 5.278,880 2.572,881 1.685,882 1.246,883 0.967,884 5.283,885 8.524,886 3.526,887 4.016,888 4.41,889 4.917,890 5.285,891 5.362,892 5.338,893 5.625,894 5.534,895 5.858,896 0.857,897 33,898 8.901,900 3.746,901 7.875,902 16.813,904 13.447,905 2.375,906 57,910 211.88,911 92.145,912 55.931,914 61.29,917 92.145,918 273.17,919 55.931,920 8.825,921 51.952,922 47.381,923 73.027,924 28.18,926 211.88,928 211.88,929 148.076,930 61.29,933 211.88,934 50.29,935 11,937 80.687,938 57.912,939 9.476,941 211.88,942 117.221,943 92.145,946 211.88,947 35.938,948 59.331,949 36.022,950 78.075,951 211.88,952 117.221,953 92.145,955 0.573,956 0.313,957 0.176,958 0.096,959 16,960 7,961 0.087,962 4,964 1,965 3.679,966 186.063,968 18,969 104.039,974 16.681,975 7.6,976 4.668,978 117.221,979 7.55,984 1.792,986 36.022,987 421.246,988 33,993 24.038,995 1.452,996 4.41,997 0.46,999 44.458,1000 49.943,1001 0.298,1002 0.676,1003 0.847,1004 0.889,1005 0.889,1006 0.889,1007 4.758,1008 1.181,1009 5.587,1010 4.181,1011 4.263,1012 4.7,1013 2.784,1014 6.319,1015 4.183,1016 5.928,1017 1.068,1018 7.089,1019 2.611,1020 3.761,1021 4.407,1022 1.912,1023 6.986,1024 3.675,1025 7.206,1026 1,1027 8.682,1028 2.582,1029 5.778,1030 6.706,1031 3.513,1032 10.059,1033 5.617,1034 8.508,1036 10.326,1037 2.136,1038 6.019,1039 7.125,1040 3.388,1041 11.52,1042 5.84,1043 9.836,1044 -0.305,1045 12.004,1047 7.531,1048 8.96,1049 4.59,1050 14.092,1051 7.284,1052 11.182,1053 -0.393,1054 13.705,1055 -0.752,1056 8.153,1057 9.738,1058 4.849,1059 15.934,1060 7.873,1061 12.543,1062 -0.441,1063 15.424,1064 -0.994,1065 9.426,1066 11.352,1067 5.84,1068 18.297,1069 9.085,1070 2.951,1071 -0.599,1072 17.157,1073 -1.065,1074 10.253,1075 12.332,1076 6.297,1077 20.331,1078 9.867,1079 2.711,1080 9.329,1081 18.902,1082 -1.407,1083 11.409,1084 13.823,1085 7.17,1086 22.605,1087 10.966,1088 2.498,1089 7.799,1090 20.656,1091 3.669,1092 12.346,1093 14.922,1094 7.733,1095 24.735,1096 11.851,1097 2.242,1098 7.281,1099 22.419,1100 3.626,1101 13.447,1102 16.342,1103 8.539,1104 26.975,1105 12.896,1106 1.939,1107 6.038,1108 24.189,1109 2.949,1110 14.443,1111 17.512,1112 9.162,1113 29.153,1114 13.836,1115 1.737,1116 5.345,1117 25.965,1118 2.648,1119 15.52,1120 18.888,1121 9.928,1122 31.38,1123 14.857,1124 1.639,1125 4.511,1126 27.746,1127 2.537,1128 16.548,1129 20.103,1130 10.586,1131 33.582,1132 15.826,1133 6376,1134 10696,1135 17.394,1136 28.478,1137 38.369,1138 39.994,1139 38.85,1140 37.842,1141 37.933,1142 46.925,1143 13.034,1144 103.625,1145 36.42,1146 5.263,1147 5.682,1148 6.004,1149 4.995,1150 4.951,1151 6.669,1152 3.592,1153 15.602,1154 4.782,1155 10.623,1156 1.476,1157 1.538,1158 1.494,1159 1.455,1160 1.459,1161 1.805,1162 0.501,1163 3.986,1164 1.401,1165 3.958,1166 3.999,1167 3.9,1168 3.866,1169 7.432,1170 3.864,1171 3.882,1172 3.925,1173 3.823,1174 3.707,1175 7.427,1176 3.734,1177 3.681,1178 3.731,1179 3.575,1180 3.463,1181 4.779,1182 3.482,1183 3.469,1184 3.501,1185 3.398,1186 3.259,1187 4.736,1188 3.284,1189 3.168,1190 3.249,1191 2.993,1192 3.02,1193 4.575,1194 3,1195 3.111,1196 3.206,1197 2.884,1198 2.941,1199 4.003,1200 2.91,1201 2.971,1202 3.043,1203 2.866,1204 2.791,1205 3.899,1206 2.794,1207 2.943,1208 2.989,1209 2.845,1210 2.597,1211 3.813,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.263,1219 0.141,1220 3.682,1221 0.078,1222 6.202,1223 0.359,1224 3.892,1225 0.107,1226 2.951,1227 3.669,1228 2.028,1229 9.329,1230 2.782,1231 1.917,1232 1.887,1233 2.039,1234 2.039,1235 1.209,1236 2.031,1237 1.802,1238 1.755,1239 1.949,1240 2.001,1241 1.135,1242 1.995,1243 1.609,1244 1.558,1245 1.788,1246 1.85,1247 0.941,1248 1.834,1249 1.379,1250 1.344,1251 1.571,1252 1.621,1253 0.825,1254 1.598,1255 1.195,1256 1.119,1257 1.513,1258 1.403,1259 0.63,1260 1.446,1261 1.153,1262 1.064,1263 1.501,1264 1.376,1265 0.59,1266 1.429,1267 0.935,1268 0.87,1269 1.181,1270 1.18,1271 0.236,1272 1.182,1273 0.778,1274 0.721,1275 1.07,1276 1.142,1277 0.204,1278 1.113,1279 3.97,1281 5.263,1283 6.739,1285 8.3,1287 9.904,1289 1.959,1295 2.605,1296 5.445,1297 5.303,1300 1.987,1305 27.444,1306 71.535,1307 162.5,1308 203.46,1309 213.46,1310 213.46,1311 213.46,1312 43.003,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.117,1318 3.459,1319 3,1320 39.316,1321 88,1322 78,1323 0.215,1324 170.334,1325 306.57,1326 407.375,1327 8208,1329 16.941,1330 0.706,1331 0.564,1332 16.941,1333 13.541,1334 11.597,1335 0.446,1336 0.304,1337 7.751,1338 11.02,1339 7.574,1340 6.248,1341 11.597,1342 7.895,1343 10.551,1344 0.301,1345 0.164,1346 10.551,1347 5.744,1348 7.91,1349 0.188,1350 0.089,1351 7.91,1352 3.742,1353 6.994,1354 0.127,1355 0.047,1356 6.994,1357 2.612,1358 5.237,1359 0.081,1360 0.025,1361 5.237,1362 1.645,1363 0.339,1364 73.539,1365 0.24,1366 23.631,1367 0.583,1368 122,1369 399.163,1370 137.994,1371 376.477,1372 501.84,1373 352,1374 138,1375 355.05,1376 152.75,1377 355.869,1378 514.51,1379 334,1380 6.203}
{0 CHEMBL2151920,1 1.791,2 10.792,3 1.319,4 1.739,5 89.235,6 8.508,7 0.231,8 3.836,9 3.948,10 3.504,11 3.327,12 4.978,13 3.337,14 4.376,15 4.535,16 3.867,17 3.693,18 5.557,19 3.679,20 4.622,21 4.825,22 3.847,23 3.801,24 5.743,25 3.753,26 4.547,27 4.769,28 3.749,29 3.723,30 5.719,31 3.646,32 4.506,33 4.722,34 3.705,35 3.625,36 5.694,37 3.592,38 4.453,39 4.643,40 3.673,41 3.56,42 5.8,43 3.524,44 4.395,45 4.62,46 3.59,47 3.441,48 5.643,49 3.396,50 4.238,51 4.466,52 3.363,53 3.312,54 5.386,55 3.265,56 0.114,57 0.617,58 6.907,59 3.359,60 9.965,61 4.131,62 0.417,63 0.95,64 15.022,65 5.666,66 29.059,67 7.142,68 0.664,69 1.098,70 24.397,71 6.812,72 59.947,73 8.726,74 0.554,75 1.02,76 22.576,77 7.385,78 51.014,79 10.166,80 0.537,81 0.946,82 20.501,83 6.309,84 58.12,85 8.403,86 0.626,87 0.87,88 19.636,89 6.228,90 85.146,91 7.882,92 0.664,93 0.798,94 20.327,95 5.509,96 77.271,97 7.318,98 0.479,99 0.668,100 19.073,101 4.9,102 51.296,103 6.315,104 10,105 35,106 0.317,107 0.678,108 0.794,109 0.82,110 0.82,111 0.82,112 3.228,113 0.919,114 -3.57,115 -3.54,116 -3.38,119 39,121 1,125 4,135 1,139 1,142 4,144 2,158 3,172 2,174 1,175 5,178 3,180 5,183 4,186 1,192 2,195 4,198 3,199 4,202 3,203 1,207 3,211 1,212 3,217 1,220 2,223 2,224 3,227 2,229 3,236 1,237 4,240 1,242 2,245 1,250 4,258 2,262 1,263 5,266 1,268 1,271 2,275 846,276 16.102,277 16.102,278 16.102,279 16.102,280 16.102,281 14.626,282 22.481,283 9.734,284 16.625,285 12.887,286 12.887,287 12.887,288 12.887,289 12.887,290 10.559,291 27.592,292 4.722,293 13.754,294 3.567,295 1.532,296 0.878,297 0.732,298 0.732,299 0.732,300 3.91,301 1,303 1,304 1,305 1,306 554,307 2.828,311 249.788,318 1.576,319 30.367,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.333,331 259,332 4.263,333 3.682,334 6.202,335 3.891,336 2.951,337 3.648,338 2.028,339 9.329,340 2.78,341 4.043,342 3.516,343 5.594,344 3.65,345 2.687,346 3.615,347 1.408,348 7.688,349 2.581,350 3.746,351 3.122,352 5.419,353 3.435,354 2.492,355 2.972,356 0.993,357 7.167,358 2.342,359 3.542,360 2.939,361 5.024,362 3.229,363 2.264,364 2.698,365 0.86,366 6.057,367 2.183,368 3.394,369 2.786,370 4.839,371 2.941,372 2,373 2.579,374 0.849,375 5.546,376 1.812,377 3.183,378 2.395,379 4.502,380 2.696,381 1.744,382 2.314,383 0.25,384 4.619,385 1.618,386 2.888,387 2.287,388 4.334,389 2.598,390 1.66,391 1.873,392 0.129,393 4.189,394 1.528,395 2.5,396 1.554,397 3.49,398 2,399 1.069,400 1.5,402 2.607,403 1,404 2.213,405 1.256,406 3.414,407 1.952,408 1,409 1.153,411 2.275,412 0.946,413 2,414 1,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.418,423 0.868,424 2.98,425 1.074,426 0.172,427 0.199,428 0.425,429 0.141,430 1.288,431 0.73,432 2.567,433 0.782,434 -0.197,435 -0.232,436 -0.518,437 -0.176,438 1,439 0.652,440 2.452,441 0.618,442 -0.391,443 -0.501,445 -1.004,446 -0.379,447 0.696,448 0.112,449 2.112,450 0.381,451 -0.577,452 -0.697,454 -1.388,455 -0.495,456 0.613,457 -0.206,458 2,459 0.237,460 -0.684,461 -0.857,463 -1.62,464 -0.612,465 11.314,466 0.471,467 0.575,468 0.024,469 29,470 1.208,471 12.5,472 0.521,473 16.5,474 0.688,475 18.431,476 0.768,477 26.486,478 0.646,479 21.452,480 0.894,481 6.06,482 0.253,483 5.537,484 0.231,485 0.122,487 0.301,493 0.765,494 1.522,495 0.601,496 1.073,497 0.552,498 0.928,499 0.891,500 1.216,501 0.74,502 0.966,503 0.574,504 0.957,505 1.295,506 1,507 1.101,508 0.865,509 1.134,510 0.96,511 0.549,512 0.96,513 0.851,514 1.062,515 0.674,516 1.061,517 1.041,518 1.014,519 0.706,520 0.919,521 1.316,522 0.917,523 1.121,524 1.119,525 0.893,526 1.059,527 1.414,528 1.066,529 1.063,530 0.943,531 0.802,532 0.837,533 1.299,534 0.883,535 1.408,536 0.852,537 1.068,538 0.792,539 1.351,540 0.814,541 5.5,542 0.07,543 1.778,544 1.5,545 1.067,546 0.764,547 0.446,548 0.227,549 0.234,550 0.124,551 6664,552 22325,553 2.064,554 41.5,556 13,559 2,560 2,564 1.667,565 1.946,566 3.407,567 0.378,568 1,569 1,571 1,573 73.418,574 1.791,575 3.825,576 4.48,577 4.626,578 4.626,579 4.626,580 2.872,581 4.002,582 4.557,583 3.537,584 976.121,585 7.854,586 11711,587 1,588 1,591 219.66,592 1.347,593 4.522,594 0.212,595 0.005,596 0.051,597 0.045,598 0.036,599 0.026,600 0.017,601 0.01,602 0.012,603 0.007,604 0.42,605 0.33,606 1,607 0.566,608 115.272,609 -0.088,610 -0.276,611 0.019,612 -0.094,613 -0.038,614 -0.018,615 -0.002,616 -0.084,617 0.006,618 -0.028,619 0.056,620 -0.048,621 -0.283,622 0.044,623 -0.186,624 0.055,625 -0.187,626 -0.043,627 0.216,628 0.049,629 0.013,630 -0.106,631 0.136,632 -0.071,633 -0.07,634 -0.023,635 0.045,636 -0.01,637 -0.105,638 0.031,639 0.022,640 -0.15,641 -0.062,642 -0.128,643 0.052,644 -0.134,645 0.043,646 0.002,647 0.082,648 0.068,649 -0.011,650 0.06,651 -0.276,652 0.067,653 -0.054,654 0.148,655 -0.18,656 0.149,657 1.944,658 5.126,659 0.75,660 20.75,661 1.022,662 1.133,663 2.336,664 5.458,665 0.673,666 3.296,667 3.584,668 3.761,669 4.007,670 4.205,671 4.159,672 4.205,673 4.234,674 4.234,675 4.234,676 6.256,677 0.652,678 348.82,679 3.296,680 4.812,681 5.624,682 6.479,683 7.306,684 8.164,685 8.998,686 9.857,687 10.694,688 11.554,689 9.8,692 1,696 2,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 26,737 43,738 16,739 6,740 2,741 4,742 4,746 3,747 3,748 1,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,781 17,782 7,783 2,784 8,785 1,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,845 1,848 24,854 5,855 2,856 1,859 1,869 1,870 7.3,873 2,874 1,877 12.333,878 7.21,879 5.278,880 2.358,881 1.676,882 1.245,883 0.971,884 5.505,885 8.514,886 3.526,887 4.016,888 4.41,889 4.901,890 5.307,891 5.338,892 5.398,893 5.569,894 5.567,895 5.814,896 1,897 33,898 8.88,900 3.763,901 7.963,902 16.599,904 13.281,905 2.463,906 59.111,910 176.567,911 83.634,912 55.931,913 39.149,914 61.29,917 83.634,918 277.005,919 55.931,921 51.952,922 47.381,923 73.027,924 28.495,926 176.567,927 39.149,928 176.567,929 139.566,930 61.29,931 39.149,933 176.567,934 50.29,935 11,937 71.862,938 58.227,939 48.625,941 176.567,942 117.221,943 122.783,946 176.567,947 36.253,948 50.506,949 36.022,950 117.224,951 176.567,952 117.221,953 122.783,955 0.574,956 0.314,957 0.172,958 0.098,959 16,960 7,961 0.093,962 4,964 1,965 3.692,966 185.448,968 18,969 102.039,974 16.957,975 7.792,976 4.807,978 117.221,979 6.799,984 1.23,986 36.022,987 416.571,988 33,993 23.957,995 1.436,996 4.386,997 0.354,999 41.898,1000 46.472,1001 0.334,1002 0.714,1003 0.836,1004 0.863,1005 0.863,1006 0.863,1007 4.758,1008 1.069,1009 5.587,1010 4.189,1011 4.263,1012 4.7,1013 2.784,1014 6.315,1015 4.146,1016 5.928,1017 1,1018 7.089,1019 2.607,1020 3.761,1021 4.407,1022 1.912,1023 6.986,1024 3.579,1025 7.206,1026 1,1027 8.681,1028 2.275,1029 5.778,1030 6.706,1031 3.513,1032 10.044,1033 5.556,1034 8.508,1035 0.172,1036 10.324,1037 2.136,1038 6.019,1039 7.125,1040 3.388,1041 11.507,1042 5.734,1043 9.836,1044 -0.197,1045 12,1046 0.425,1047 7.528,1048 8.956,1049 4.59,1050 14.068,1051 7.202,1052 11.181,1053 -0.391,1054 13.699,1055 -0.518,1056 8.145,1057 9.726,1058 4.849,1059 15.911,1060 7.757,1061 12.54,1062 -0.577,1063 15.416,1064 -1.004,1065 9.416,1066 11.338,1067 5.84,1068 18.269,1069 8.985,1070 2.951,1071 -0.684,1072 17.147,1073 -1.388,1074 10.237,1075 12.305,1076 6.297,1077 20.306,1078 9.743,1079 2.687,1080 9.329,1081 18.89,1082 -1.62,1083 11.392,1084 13.796,1085 7.17,1086 22.579,1087 10.851,1088 2.492,1089 7.688,1090 20.642,1091 3.648,1092 12.325,1093 14.882,1094 7.733,1095 24.711,1096 11.72,1097 2.264,1098 7.167,1099 22.403,1100 3.615,1101 13.425,1102 16.301,1103 8.539,1104 26.951,1105 12.77,1106 2,1107 6.057,1108 24.172,1109 2.972,1110 14.419,1111 17.459,1112 9.162,1113 29.132,1114 13.7,1115 1.744,1116 5.546,1117 25.947,1118 2.698,1119 15.495,1120 18.834,1121 9.928,1122 31.361,1123 14.722,1124 1.66,1125 4.619,1126 27.728,1127 2.579,1128 16.521,1129 20.038,1130 10.586,1131 33.566,1132 15.686,1133 6448,1134 11918,1135 17.394,1136 27.574,1137 38.494,1138 40.031,1139 38.861,1140 38.103,1141 38.079,1142 47.103,1143 13.034,1144 104.074,1145 35.73,1146 5.263,1147 5.682,1148 6.004,1149 4.995,1150 4.951,1151 6.648,1152 3.592,1153 15.601,1154 4.78,1155 10.728,1156 1.481,1157 1.54,1158 1.495,1159 1.466,1160 1.465,1161 1.812,1162 0.501,1163 4.003,1164 1.374,1165 3.948,1166 3.989,1167 4,1168 3.85,1169 7.432,1170 3.848,1171 3.873,1172 3.911,1173 3.856,1174 3.706,1175 7.427,1176 3.733,1177 3.679,1178 3.729,1179 3.59,1180 3.462,1181 4.946,1182 3.481,1183 3.46,1184 3.485,1185 3.473,1186 3.254,1187 4.758,1188 3.279,1189 3.111,1190 3.206,1191 3.228,1192 2.941,1193 4.575,1194 2.91,1195 3.005,1196 3.061,1197 2.882,1198 2.854,1199 4.374,1200 2.852,1201 2.944,1202 2.99,1203 2.866,1204 2.735,1205 3.919,1206 2.715,1207 2.854,1208 2.925,1209 2.806,1210 2.598,1211 3.674,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.263,1219 0.14,1220 3.682,1221 0.078,1222 6.202,1223 0.359,1224 3.891,1225 0.107,1226 2.951,1227 3.648,1228 2.028,1229 9.329,1230 2.78,1231 1.886,1232 1.861,1233 1.978,1234 2.034,1235 1.209,1236 2.013,1237 1.8,1238 1.754,1239 1.946,1240 1.974,1241 1.068,1242 1.976,1243 1.607,1244 1.557,1245 1.782,1246 1.844,1247 0.932,1248 1.829,1249 1.365,1250 1.335,1251 1.525,1252 1.598,1253 0.825,1254 1.572,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.613,1260 1.429,1261 0.933,1262 0.884,1263 1.181,1264 1.179,1265 0.218,1266 1.171,1267 0.886,1268 0.821,1269 1.111,1270 1.137,1271 0.213,1272 1.107,1273 0.776,1274 0.72,1275 1.058,1276 1.062,1277 0.165,1278 1.106,1279 3.97,1281 5.263,1283 6.739,1285 8.298,1287 9.899,1290 5.811,1295 2.525,1296 5.349,1297 5.292,1300 1.972,1305 26.745,1306 73.418,1307 156.831,1308 183.66,1309 189.66,1310 189.66,1311 189.66,1312 44.402,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.109,1318 3.459,1319 3,1320 39.354,1321 89,1322 94,1323 0.212,1324 169.075,1325 304.48,1326 404.302,1327 8208,1328 2.4,1329 16.941,1330 0.706,1331 0.57,1332 17.441,1333 13.675,1334 11.597,1335 0.446,1336 0.306,1337 7.469,1338 10.711,1339 7.331,1340 5.989,1341 11.886,1342 7.962,1343 10.539,1344 0.301,1345 0.166,1346 10.947,1347 5.818,1348 8,1349 0.19,1350 0.091,1351 8.289,1352 3.82,1353 6.785,1354 0.126,1355 0.047,1356 6.951,1357 2.549,1358 5.398,1359 0.082,1360 0.026,1361 5.634,1362 1.719,1363 0.336,1364 76.714,1365 0.24,1366 23.697,1367 0.573,1368 122,1369 425.366,1370 153.514,1371 429.648,1372 560.62,1373 400,1374 138,1375 371.913,1376 162.509,1377 380.525,1378 551.36,1379 358,1380 5.643}
{0 CHEMBL2151921,1 1.791,2 10.208,3 1.319,4 1.739,5 89.235,6 8.508,7 0.231,8 3.836,9 3.948,10 3.504,11 3.327,12 4.978,13 3.337,14 4.376,15 4.535,16 3.867,17 3.693,18 5.557,19 3.679,20 4.622,21 4.825,22 3.847,23 3.801,24 5.738,25 3.753,26 4.548,27 4.769,28 3.82,29 3.728,30 5.736,31 3.656,32 4.513,33 4.721,34 3.705,35 3.651,36 5.7,37 3.609,38 4.454,39 4.643,40 3.76,41 3.562,42 5.858,43 3.535,44 4.398,45 4.619,46 3.494,47 3.449,48 5.586,49 3.391,50 4.236,51 4.466,52 3.472,53 3.296,54 5.414,55 3.264,56 0.114,57 0.617,58 6.907,59 3.359,60 9.965,61 4.131,62 0.417,63 0.95,64 15.022,65 5.666,66 29.061,67 7.142,68 0.664,69 1.098,70 24.397,71 6.812,72 60,73 8.726,74 0.564,75 1.016,76 22.307,77 7.318,78 50.71,79 10.152,80 0.545,81 0.939,82 22.252,83 6.545,84 60.086,85 8.454,86 0.663,87 0.869,88 19.635,89 6.208,90 91.208,91 7.866,92 0.64,93 0.793,94 21.338,95 5.609,96 72.235,97 7.354,98 0.494,99 0.666,100 18.063,101 4.677,102 51.11,103 6.27,104 10,105 35,106 0.317,107 0.678,108 0.811,109 0.854,110 0.854,111 0.854,112 3.228,113 0.919,114 -3.57,115 -3.54,116 -3.38,119 39,121 1,125 4,135 1,139 1,142 4,144 2,158 3,172 2,174 1,175 5,178 3,180 5,183 5,186 1,192 1,195 2,198 3,199 4,202 3,203 1,204 2,207 4,211 1,212 2,220 1,223 2,224 5,227 2,229 3,232 2,236 1,237 2,240 1,242 1,250 6,255 2,258 2,262 1,263 2,266 1,271 1,275 836,276 16.102,277 16.102,278 16.102,279 16.102,280 16.102,281 14.626,282 22.481,283 9.767,284 16.625,285 12.904,286 12.904,287 12.904,288 12.904,289 12.904,290 10.565,291 28.858,292 4.737,293 13.761,294 3.567,295 1.532,296 0.78,297 0.537,298 0.537,299 0.537,300 3.91,301 1,303 1,304 1,305 1,306 523,307 2.828,311 248.261,318 1.559,319 30.532,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.333,331 245,332 4.263,333 3.682,334 6.202,335 3.892,336 2.951,337 3.669,338 2.028,339 9.329,340 2.78,341 4.07,342 3.516,343 5.626,344 3.668,345 2.711,346 3.626,347 1.408,348 7.799,349 2.588,350 3.74,351 3.122,352 5.458,353 3.441,354 2.498,355 2.949,356 0.993,357 7.281,358 2.346,359 3.528,360 2.968,361 5.017,362 3.222,363 2.242,364 2.648,365 0.86,366 6.038,367 2.183,368 3.351,369 2.783,370 4.765,371 2.88,372 1.939,373 2.537,374 0.849,375 5.345,376 1.787,377 3.133,378 2.316,379 4.459,380 2.668,381 1.737,382 2.278,383 0.25,384 4.511,385 1.576,386 2.888,387 2.282,388 4.331,389 2.586,390 1.639,391 1.874,392 0.129,393 4.181,394 1.51,395 2.658,396 1.554,397 3.491,398 2.164,399 1.181,400 1.727,402 2.611,403 1.139,404 2.213,405 1.278,406 3.479,407 1.952,408 1.068,409 1.153,411 2.582,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.302,423 0.819,424 2.964,425 0.957,430 1.187,431 0.703,432 2.566,433 0.711,434 -0.305,435 -0.391,436 -0.752,437 -0.251,438 1,439 0.361,440 2.445,441 0.614,442 -0.393,443 -0.502,445 -0.994,446 -0.33,447 0.886,448 0.203,449 2.112,450 0.382,451 -0.441,452 -0.543,454 -1.065,455 -0.382,456 0.618,457 -0.205,458 2,459 0.365,460 -0.599,461 -0.744,463 -1.407,464 -0.592,465 11.314,466 0.471,467 0.575,468 0.024,469 29,470 1.208,471 12.5,472 0.521,473 16.5,474 0.688,475 18.538,476 0.772,477 26.486,478 0.646,479 21.487,480 0.895,481 6.06,482 0.253,483 5.537,484 0.231,485 0.122,487 0.301,493 0.765,494 1.522,495 0.601,496 1.073,497 0.552,498 0.928,499 0.891,500 1.216,501 0.74,502 0.966,503 0.574,504 0.957,505 1.295,506 1,507 1.101,508 0.865,509 1.143,510 0.96,511 0.491,512 0.964,513 0.76,514 1.036,515 0.636,516 1.023,517 1.178,518 1.002,519 0.975,520 0.972,521 1.402,522 0.964,523 1.003,524 1.119,525 0.774,526 1.05,527 1.28,528 1.027,529 1.238,530 0.945,531 1.071,532 0.899,533 1.466,534 0.962,535 1.205,536 0.876,537 0.753,538 0.749,539 1.233,540 0.742,541 5.5,542 0.066,543 1.556,544 1.75,545 0.987,546 0.819,547 0.364,548 0.266,549 0.185,550 0.14,551 6588,552 21797,553 2.064,554 41.5,556 13,559 2,560 2,564 1.668,565 1.946,566 3.349,567 0.378,568 1,569 1,571 1,573 73.418,574 1.791,575 3.825,576 4.577,577 4.821,578 4.821,579 4.821,580 2.772,581 4.022,582 4.559,583 3.5,584 965.947,585 7.86,586 11585.7,587 1,588 1,591 219.66,592 1.347,593 4.522,594 0.212,595 0.004,596 0.044,597 0.053,598 0.032,599 0.028,600 0.013,601 0.012,602 0.009,603 0.008,604 0.415,605 0.33,606 1,607 0.566,608 115.02,609 -0.088,610 -0.276,611 0.019,612 -0.094,613 -0.038,614 -0.018,615 -0.002,616 -0.084,617 0.006,618 -0.028,619 0.056,620 -0.048,621 -0.283,622 0.044,623 -0.186,624 0.055,625 -0.197,626 -0.043,627 0.276,628 0.045,629 0.106,630 -0.08,631 0.175,632 -0.032,633 -0.163,634 -0.015,635 -0.084,636 -0.033,637 -0.167,638 -0.014,639 0.142,640 -0.15,641 0.06,642 -0.119,643 0.189,644 -0.094,645 -0.11,646 -0.002,647 -0.111,648 0.022,649 -0.167,650 -0.019,651 -0.1,652 0.046,653 0.171,654 0.172,655 -0.077,656 0.219,657 1.947,658 5.142,659 0.75,660 20.333,661 1.022,662 1.133,663 2.336,664 5.458,665 0.673,666 3.296,667 3.584,668 3.761,669 4.025,670 4.19,671 4.174,672 4.174,673 4.263,674 4.22,675 4.263,676 6.163,677 0.652,678 348.82,679 3.296,680 4.812,681 5.624,682 6.482,683 7.307,684 8.169,685 9,686 9.864,687 10.698,688 11.563,689 9.8,692 1,696 2,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 26,737 43,738 16,739 6,740 2,741 4,742 4,746 3,747 3,748 1,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,781 17,782 7,783 2,784 8,785 1,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,845 1,848 24,854 5,855 2,856 1,859 1,869 1,870 7.3,873 2,874 1,877 12.333,878 7.21,879 5.278,880 2.358,881 1.685,882 1.246,883 0.971,884 5.505,885 8.524,886 3.526,887 4.016,888 4.41,889 4.917,890 5.285,891 5.362,892 5.338,893 5.625,894 5.534,895 5.858,896 0.857,897 33,898 8.882,900 3.766,901 7.963,902 16.599,904 13.281,905 2.463,906 59.111,910 176.567,911 83.634,912 55.931,913 39.149,914 61.29,917 83.634,918 277.005,919 55.931,921 51.952,922 47.381,923 73.027,924 28.495,926 176.567,927 39.149,928 176.567,929 139.566,930 61.29,931 39.149,933 176.567,934 50.29,935 11,937 71.862,938 58.227,939 48.625,941 176.567,942 117.221,943 122.783,946 176.567,947 36.253,948 50.506,949 36.022,950 117.224,951 176.567,952 117.221,953 122.783,955 0.573,956 0.313,957 0.176,958 0.096,959 16,960 7,961 0.093,962 4,964 1,965 3.679,966 186.063,968 18,969 103.284,974 16.957,975 7.792,976 4.807,978 117.221,979 6.864,984 1.132,986 36.022,987 416.571,988 33,993 23.978,995 1.434,996 4.384,997 0.327,999 41.898,1000 46.472,1001 0.334,1002 0.714,1003 0.854,1004 0.9,1005 0.9,1006 0.9,1007 4.758,1008 1.181,1009 5.587,1010 4.181,1011 4.263,1012 4.7,1013 2.784,1014 6.319,1015 4.146,1016 5.928,1017 1.068,1018 7.089,1019 2.611,1020 3.761,1021 4.407,1022 1.912,1023 6.986,1024 3.579,1025 7.206,1026 1,1027 8.682,1028 2.582,1029 5.778,1030 6.706,1031 3.513,1032 10.059,1033 5.556,1034 8.508,1036 10.326,1037 2.136,1038 6.019,1039 7.125,1040 3.388,1041 11.52,1042 5.734,1043 9.836,1044 -0.305,1045 12.004,1047 7.531,1048 8.96,1049 4.59,1050 14.092,1051 7.204,1052 11.182,1053 -0.393,1054 13.705,1055 -0.752,1056 8.153,1057 9.738,1058 4.849,1059 15.934,1060 7.762,1061 12.543,1062 -0.441,1063 15.424,1064 -0.994,1065 9.426,1066 11.352,1067 5.84,1068 18.297,1069 8.989,1070 2.951,1071 -0.599,1072 17.157,1073 -1.065,1074 10.253,1075 12.332,1076 6.297,1077 20.331,1078 9.751,1079 2.711,1080 9.329,1081 18.902,1082 -1.407,1083 11.409,1084 13.823,1085 7.17,1086 22.605,1087 10.858,1088 2.498,1089 7.799,1090 20.656,1091 3.669,1092 12.346,1093 14.922,1094 7.733,1095 24.735,1096 11.73,1097 2.242,1098 7.281,1099 22.419,1100 3.626,1101 13.447,1102 16.342,1103 8.539,1104 26.975,1105 12.78,1106 1.939,1107 6.038,1108 24.189,1109 2.949,1110 14.443,1111 17.512,1112 9.162,1113 29.153,1114 13.711,1115 1.737,1116 5.345,1117 25.965,1118 2.648,1119 15.52,1120 18.888,1121 9.928,1122 31.38,1123 14.734,1124 1.639,1125 4.511,1126 27.746,1127 2.537,1128 16.548,1129 20.103,1130 10.586,1131 33.582,1132 15.698,1133 6376,1134 11716,1135 17.394,1136 27.574,1137 38.369,1138 40.06,1139 38.85,1140 38.028,1141 37.933,1142 46.925,1143 13.034,1144 103.625,1145 35.579,1146 5.263,1147 5.682,1148 6.004,1149 4.995,1150 4.951,1151 6.669,1152 3.592,1153 15.602,1154 4.78,1155 10.623,1156 1.476,1157 1.541,1158 1.494,1159 1.463,1160 1.459,1161 1.805,1162 0.501,1163 3.986,1164 1.368,1165 3.948,1166 3.989,1167 4.003,1168 3.851,1169 7.432,1170 3.848,1171 3.873,1172 3.911,1173 3.855,1174 3.706,1175 7.427,1176 3.733,1177 3.679,1178 3.729,1179 3.586,1180 3.462,1181 4.945,1182 3.481,1183 3.459,1184 3.486,1185 3.456,1186 3.252,1187 4.758,1188 3.278,1189 3.111,1190 3.206,1191 3.247,1192 2.941,1193 4.575,1194 2.91,1195 2.997,1196 3.062,1197 2.896,1198 2.836,1199 4.365,1200 2.833,1201 2.944,1202 2.99,1203 2.866,1204 2.775,1205 3.941,1206 2.758,1207 2.877,1208 2.921,1209 2.856,1210 2.597,1211 3.844,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.263,1219 0.141,1220 3.682,1221 0.078,1222 6.202,1223 0.359,1224 3.892,1225 0.107,1226 2.951,1227 3.669,1228 2.028,1229 9.329,1230 2.78,1231 1.886,1232 1.861,1233 1.978,1234 2.034,1235 1.209,1236 2.013,1237 1.8,1238 1.754,1239 1.946,1240 1.973,1241 1.068,1242 1.976,1243 1.607,1244 1.557,1245 1.782,1246 1.844,1247 0.933,1248 1.829,1249 1.366,1250 1.335,1251 1.528,1252 1.6,1253 0.825,1254 1.574,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.614,1260 1.429,1261 0.943,1262 0.883,1263 1.181,1264 1.188,1265 0.236,1266 1.188,1267 0.866,1268 0.824,1269 1.075,1270 1.145,1271 0.204,1272 1.113,1273 0.777,1274 0.72,1275 1.055,1276 1.01,1277 0.146,1278 1.05,1279 3.97,1281 5.263,1283 6.739,1285 8.3,1287 9.904,1290 5.889,1295 2.507,1296 5.334,1297 5.292,1300 1.969,1305 26.745,1306 73.418,1307 156.831,1308 187.66,1309 197.66,1310 197.66,1311 197.66,1312 44.663,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.117,1318 3.459,1319 3,1320 39.316,1321 88,1322 78,1323 0.215,1324 169.075,1325 304.48,1326 404.302,1327 8208,1328 2.4,1329 16.941,1330 0.706,1331 0.57,1332 17.441,1333 13.675,1334 11.597,1335 0.446,1336 0.306,1337 7.469,1338 10.711,1339 7.331,1340 5.99,1341 11.886,1342 7.962,1343 10.551,1344 0.301,1345 0.166,1346 10.959,1347 5.821,1348 7.91,1349 0.188,1350 0.09,1351 8.172,1352 3.784,1353 6.994,1354 0.127,1355 0.048,1356 7.262,1357 2.646,1358 5.237,1359 0.081,1360 0.026,1361 5.403,1362 1.663,1363 0.339,1364 76.714,1365 0.24,1366 23.631,1367 0.583,1368 122,1369 425.366,1370 153.514,1371 429.713,1372 560.64,1373 400,1374 138,1375 371.913,1376 162.509,1377 380.662,1378 551.65,1379 358,1380 5.593}
{0 CHEMBL2151922,1 1.671,2 10.88,3 0.638,4 0.407,5 90.894,6 7.654,7 0.222,8 3.923,9 4.038,10 3.503,11 3.356,12 5.057,13 3.376,14 4.466,15 4.636,16 3.827,17 3.702,18 5.611,19 3.704,20 4.67,21 4.871,22 3.82,23 3.822,24 5.768,25 3.796,26 4.646,27 4.865,28 3.798,29 3.809,30 5.798,31 3.739,32 4.658,33 4.882,34 3.727,35 3.744,36 5.783,37 3.698,38 4.583,39 4.788,40 3.712,41 3.641,42 5.91,43 3.605,44 4.521,45 4.755,46 3.516,47 3.513,48 5.678,49 3.467,50 4.366,51 4.591,52 3.408,53 3.383,54 5.537,55 3.349,56 0.104,57 0.67,58 9.016,59 3.686,60 8.839,61 4.863,62 0.478,63 1.011,64 18.36,65 5.864,66 33.95,67 7.988,68 0.634,69 1.173,70 23.82,71 6.573,72 53.856,73 9.369,74 0.562,75 1.137,76 22.997,77 7.85,78 49.494,79 11.319,80 0.556,81 1.079,82 24.335,83 7.087,84 58.304,85 10.247,86 0.707,87 0.982,88 22.374,89 6.507,90 89.398,91 9.282,92 0.658,93 0.88,94 22.214,95 5.749,96 70.987,97 8.477,98 0.555,99 0.753,100 18.947,101 5,102 59.749,103 7.167,104 11,105 36,106 0.29,107 0.654,108 0.812,109 0.851,110 0.851,111 0.851,112 3.266,113 0.89,114 -2.82,115 -2.83,116 -2.74,119 37.8,121 1,124 1,125 4,135 1,139 1,142 4,144 2,158 3,172 2,174 1,175 7,178 3,180 5,183 3,186 1,187 1,192 1,195 1,198 3,199 5,202 4,203 1,204 1,207 3,211 1,212 2,220 1,223 3,224 5,227 2,229 3,232 1,236 1,237 2,240 1,242 1,249 1,250 5,253 1,255 1,258 2,262 1,263 2,266 1,271 1,275 928,276 16.972,277 16.972,278 16.972,279 16.972,280 16.972,281 15.548,282 25.193,283 10.27,284 17.537,285 13.331,286 13.331,287 13.331,288 13.331,289 13.331,290 10.988,291 33.307,292 4.883,293 14.109,294 3.821,295 1.727,296 0.817,297 0.595,298 0.595,299 0.595,300 3.95,304 1,305 1,306 579,307 3,311 260.806,318 1.584,319 30.646,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 56,331 272,332 4.263,333 3.682,334 6.202,335 3.892,336 2.951,337 3.687,338 2.028,339 9.329,340 2.781,341 4.091,342 3.516,343 5.663,344 3.698,345 2.733,346 3.63,347 1.408,348 7.916,349 2.633,350 3.75,351 3.122,352 5.49,353 3.463,354 2.511,355 2.958,356 0.993,357 7.367,358 2.391,359 3.536,360 2.898,361 5.124,362 3.253,363 2.273,364 2.663,365 0.86,366 6.313,367 2.213,368 3.373,369 2.779,370 4.852,371 2.953,372 1.985,373 2.557,374 0.86,375 5.561,376 1.9,377 3.164,378 2.314,379 4.496,380 2.7,381 1.742,382 2.3,383 0.849,384 4.593,385 1.665,386 2.888,387 2.283,388 4.334,389 2.6,390 1.659,391 1.874,392 0.25,393 4.187,394 1.534,395 2.671,396 1.554,397 3.495,398 2.192,399 1.203,400 1.744,401 0.129,402 2.628,403 1.187,404 2.213,405 1.333,406 3.489,407 1.952,408 1.068,409 1.153,411 2.6,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.584,423 0.937,424 2.974,425 1.295,426 0.431,427 0.482,428 0.626,429 0.369,430 1.302,431 0.818,432 2.688,433 0.957,438 1.178,439 0.703,440 2.565,441 0.708,442 -0.314,443 -0.402,445 -0.8,446 -0.316,447 1,448 0.349,449 2.441,450 0.613,451 -0.395,452 -0.503,454 -1.013,455 -0.382,456 0.62,457 -0.205,458 2.112,459 0.38,460 -0.597,461 -0.74,463 -1.402,464 -0.59,465 11.433,466 0.457,467 0.537,468 0.021,469 30.25,470 1.21,471 13,472 0.52,473 17.25,474 0.69,475 18.975,476 0.759,477 28.167,478 0.626,479 23.3,480 0.932,481 6.472,482 0.259,483 5.663,484 0.227,485 0.102,487 0.297,493 0.824,494 1.589,495 0.753,496 1.279,497 0.574,498 1.033,499 1.056,500 1.154,501 0.914,502 0.995,503 0.631,504 0.935,505 1.295,506 1.036,507 1.164,508 0.902,509 1.171,510 0.968,511 0.489,512 1.028,513 0.862,514 1.145,515 0.636,516 1.106,517 1.068,518 1.033,519 0.99,520 0.993,521 1.309,522 0.967,523 0.952,524 1.105,525 1.005,526 1.103,527 1.271,528 1.072,529 1.187,530 0.93,531 1.036,532 0.868,533 1.472,534 0.901,535 1.312,536 0.89,537 1.025,538 0.814,539 1.621,540 0.848,541 5.5,542 0.091,543 1.556,544 1.75,545 1.027,546 0.882,547 0.405,548 0.266,549 0.185,550 0.14,551 7361,552 21888,553 2.062,554 44.4,556 16,559 2,560 2,564 1.679,565 1.948,566 3.431,567 0.352,569 1,571 1,573 75.208,574 1.671,575 3.765,576 4.675,577 4.897,578 4.897,579 4.897,580 2.869,581 4.484,582 4.617,583 3.565,584 1069.52,585 7.977,586 13273.9,588 1,591 247.133,592 1.323,593 4.583,594 0.204,595 0.005,596 0.043,597 0.05,598 0.031,599 0.028,600 0.014,601 0.011,602 0.008,603 0.007,604 0.402,605 0.33,606 1,607 0.739,608 121.819,609 -0.08,610 -0.318,611 0.052,612 -0.158,613 -0.037,614 -0.04,615 -0.048,616 -0.035,617 0.01,618 0.009,619 0.04,620 0.011,621 -0.267,622 0.04,623 -0.207,624 0.047,625 -0.192,626 -0.041,627 0.254,628 0.013,629 0.064,630 -0.135,631 0.161,632 -0.101,633 -0.112,634 -0.048,635 -0.013,636 -0.027,637 -0.121,638 0.005,639 0.137,640 -0.119,641 -0.016,642 -0.143,643 0.171,644 -0.121,645 -0.07,646 0.001,647 -0.009,648 0.05,649 -0.11,650 0.043,651 -0.133,652 0.037,653 0.006,654 0.114,655 -0.175,656 0.094,657 1.944,658 5.233,659 0.72,660 21.805,661 1.017,662 1.137,663 1.588,664 2.521,665 0.643,666 3.332,667 3.611,668 3.807,669 4.06,670 4.234,671 4.22,672 4.248,673 4.29,674 4.277,675 4.304,676 6.412,677 0.626,678 344.41,679 3.332,680 4.844,681 5.659,682 6.515,683 7.344,684 8.204,685 9.039,686 9.901,687 10.738,688 11.601,689 8.9,692 1,696 2,698 1,704 4,709 2,711 6,729 1,731 45,733 10,734 1,735 27,737 47,738 17,739 6,740 2,741 4,742 4,746 3,747 3,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,781 20,782 8,783 2,784 8,790 4,791 1,794 1,795 4,812 3,826 2,831 1,836 1,839 1,840 3,844 1,848 25,854 5,855 2,856 2,859 1,870 8.9,873 2,874 1,875 1,877 12.833,878 8.233,879 5.611,880 2.531,881 1.713,882 1.247,883 0.956,884 5.811,885 8.645,886 3.555,887 4.034,888 4.446,889 4.95,890 5.329,891 5.418,892 5.46,893 5.651,894 5.617,895 5.891,896 1,897 35,898 9.255,900 3.874,901 7.92,902 17.347,904 13.691,905 2.42,906 60.5,910 211.88,911 96.26,912 55.931,914 72.29,917 96.26,918 284.169,919 55.931,920 10.883,921 51.952,922 47.381,923 73.027,924 41.238,926 211.88,928 211.88,929 152.192,930 72.29,933 211.88,934 61.29,935 11,937 71.862,938 70.853,939 9.476,941 211.88,942 128.221,943 96.26,946 211.88,947 37.996,948 61.389,949 36.022,950 89.075,951 211.88,952 128.221,953 96.26,955 0.567,956 0.319,957 0.179,958 0.097,959 16,960 7,961 0.106,962 5,964 1,965 3.766,966 196.224,968 18,969 112.096,974 17.61,975 8.25,976 4.888,978 128.221,979 7.063,984 1.273,986 36.022,987 436.361,988 34,993 24.108,995 1.439,996 4.402,997 0.349,999 45.785,1000 51.152,1001 0.304,1002 0.686,1003 0.851,1004 0.892,1005 0.892,1006 0.892,1007 4.783,1008 1.203,1009 5.617,1010 4.187,1011 4.29,1012 4.718,1013 2.871,1014 6.351,1015 4.19,1016 5.946,1017 1.068,1018 7.12,1019 2.628,1020 3.761,1021 4.407,1022 1.912,1023 7.034,1024 3.644,1025 7.223,1026 1,1027 8.715,1028 2.6,1029 5.808,1030 6.723,1031 3.545,1032 10.101,1033 5.613,1034 8.525,1035 0.431,1036 10.362,1037 2.136,1038 6.043,1039 7.143,1040 3.388,1041 11.575,1042 5.816,1043 9.855,1045 12.043,1046 0.626,1047 7.564,1048 8.98,1049 4.598,1050 14.136,1051 7.271,1052 11.202,1053 -0.314,1054 13.746,1056 8.185,1057 9.763,1058 4.849,1059 15.983,1060 7.848,1061 12.564,1062 -0.395,1063 15.467,1064 -0.8,1065 9.459,1066 11.375,1067 5.841,1068 18.338,1069 9.065,1070 2.951,1071 -0.597,1072 17.201,1073 -1.013,1074 10.287,1075 12.362,1076 6.297,1077 20.372,1078 9.84,1079 2.733,1080 9.329,1081 18.947,1082 -1.402,1083 11.443,1084 13.852,1085 7.17,1086 22.64,1087 10.941,1088 2.511,1089 7.916,1090 20.701,1091 3.687,1092 12.381,1093 14.958,1094 7.733,1095 24.768,1096 11.821,1097 2.273,1098 7.367,1099 22.463,1100 3.63,1101 13.481,1102 16.376,1103 8.539,1104 27.004,1105 12.867,1106 1.985,1107 6.313,1108 24.232,1109 2.958,1110 14.477,1111 17.553,1112 9.162,1113 29.179,1114 13.803,1115 1.742,1116 5.561,1117 26.007,1118 2.663,1119 15.554,1120 18.928,1121 9.928,1122 31.404,1123 14.824,1124 1.659,1125 4.593,1126 27.786,1127 2.557,1128 16.581,1129 20.149,1130 10.586,1131 33.603,1132 15.791,1133 7150,1134 12448,1135 18.087,1136 28.932,1137 39.445,1138 41.197,1139 40.106,1140 38.965,1141 39.115,1142 48.097,1143 14.754,1144 106.515,1145 37.108,1146 5.263,1147 5.682,1148 6.004,1149 4.995,1150 4.951,1151 6.687,1152 3.592,1153 15.603,1154 4.781,1155 11.022,1156 1.461,1157 1.526,1158 1.485,1159 1.443,1160 1.449,1161 1.781,1162 0.546,1163 3.945,1164 1.374,1165 3.952,1166 3.992,1167 3.898,1168 3.837,1169 7.432,1170 3.843,1171 3.876,1172 3.914,1173 3.821,1174 3.705,1175 7.427,1176 3.731,1177 3.68,1178 3.73,1179 3.575,1180 3.462,1181 4.875,1182 3.481,1183 3.466,1184 3.494,1185 3.398,1186 3.251,1187 4.756,1188 3.278,1189 3.243,1190 3.308,1191 3.069,1192 2.97,1193 4.575,1194 2.981,1195 3.111,1196 3.206,1197 2.896,1198 2.941,1199 4.401,1200 2.91,1201 2.981,1202 3.052,1203 2.866,1204 2.794,1205 3.948,1206 2.799,1207 2.944,1208 2.989,1209 2.857,1210 2.619,1211 3.85,1212 2.66,1213 0.158,1214 0.136,1215 0.23,1216 0.144,1217 0.109,1218 4.263,1219 0.137,1220 3.682,1221 0.075,1222 6.202,1223 0.346,1224 3.892,1225 0.103,1226 2.951,1227 3.687,1228 2.028,1229 9.329,1230 2.781,1231 1.886,1232 1.861,1233 1.993,1234 2.036,1235 1.209,1236 2.017,1237 1.8,1238 1.754,1239 1.947,1240 1.991,1241 1.071,1242 1.984,1243 1.608,1244 1.557,1245 1.784,1246 1.848,1247 0.933,1248 1.831,1249 1.369,1250 1.338,1251 1.576,1252 1.62,1253 0.825,1254 1.592,1255 1.193,1256 1.121,1257 1.524,1258 1.496,1259 0.615,1260 1.515,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.573,1266 1.429,1267 0.938,1268 0.873,1269 1.181,1270 1.185,1271 0.236,1272 1.185,1273 0.79,1274 0.724,1275 1.074,1276 1.144,1277 0.204,1278 1.113,1279 4.007,1281 5.293,1283 6.77,1285 8.331,1287 9.936,1289 1.562,1295 2.517,1296 5.385,1297 10.428,1300 1.974,1305 28.159,1306 75.208,1307 169.418,1308 210.379,1309 220.379,1310 220.379,1311 220.379,1312 45.96,1313 6.931,1314 96.55,1315 96.55,1316 18,1317 12.155,1318 3.459,1319 3,1320 41.838,1321 96,1322 94,1323 0.21,1324 174.33,1325 315.36,1326 417.126,1327 9321,1329 17.648,1330 0.706,1331 0.558,1332 17.648,1333 13.95,1334 12.135,1335 0.449,1336 0.297,1337 7.821,1338 11.401,1339 7.673,1340 6.317,1341 12.135,1342 8.007,1343 10.72,1344 0.298,1345 0.156,1346 10.72,1347 5.607,1348 8.334,1349 0.189,1350 0.086,1351 8.334,1352 3.794,1353 7.207,1354 0.126,1355 0.045,1356 7.207,1357 2.59,1358 5.52,1359 0.081,1360 0.025,1361 5.52,1362 1.669,1363 0.333,1364 77.882,1365 0.235,1366 24.507,1367 0.567,1368 126,1369 446.898,1370 144.873,1371 413.922,1372 549.64,1373 388,1374 143,1375 385.595,1376 160.408,1377 384.689,1378 555.88,1379 360,1380 5.625}
{0 CHEMBL2151923,1 1.791,2 10.208,3 1.403,4 1.967,5 92.053,6 9.592,7 0.231,8 3.834,9 3.946,10 3.609,11 3.345,12 4.962,13 3.344,14 4.373,15 4.533,16 4.011,17 3.717,18 5.536,19 3.689,20 4.618,21 4.821,22 4.005,23 3.831,24 5.713,25 3.765,26 4.544,27 4.766,28 3.987,29 3.752,30 5.711,31 3.667,32 4.51,33 4.718,34 3.806,35 3.673,36 5.683,37 3.617,38 4.452,39 4.64,40 3.943,41 3.582,42 5.825,43 3.545,44 4.394,45 4.616,46 3.617,47 3.477,48 5.567,49 3.401,50 4.232,51 4.463,52 3.71,53 3.319,54 5.38,55 3.276,56 0.101,57 0.621,58 5.445,59 3.458,60 8.824,61 4.122,62 0.398,63 0.968,64 13.669,65 5.972,66 28.154,67 7.188,68 0.622,69 1.135,70 29.112,71 7.54,72 54.695,73 8.924,74 0.527,75 1.05,76 25.684,77 7.739,78 47.605,79 10.295,80 0.504,81 0.968,82 27.148,83 7.126,84 54.875,85 8.626,86 0.615,87 0.893,88 20.424,89 6.594,90 82.273,91 7.902,92 0.604,93 0.824,94 26.765,95 6.229,96 67.132,97 7.546,98 0.45,99 0.696,100 20.553,101 4.906,102 46.808,103 6.297,104 10,105 35,106 0.317,107 0.678,108 0.811,109 0.854,110 0.854,111 0.854,112 3.228,113 0.967,114 -3.69,115 -3.65,116 -3.48,117 1,119 39,121 1,125 4,135 1,139 1,142 4,144 2,158 3,172 2,174 1,175 5,178 3,180 5,183 5,186 1,192 1,195 2,198 3,199 4,202 3,203 1,204 2,207 4,211 1,212 2,220 1,223 2,224 5,227 2,229 3,232 2,236 1,237 2,240 1,242 1,250 6,255 2,258 2,262 1,263 2,266 1,271 1,275 836,276 16.102,277 16.102,278 16.102,279 16.102,280 16.102,281 14.626,282 22.524,283 9.767,284 16.652,285 12.904,286 12.904,287 12.904,288 12.904,289 12.904,290 10.565,291 28.926,292 4.737,293 13.817,294 3.567,295 1.532,296 0.78,297 0.537,298 0.537,299 0.537,300 3.91,304 1,305 1,306 523,307 2.828,311 248.261,318 1.559,319 28.455,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.75,331 245,332 4.263,333 3.682,334 6.202,335 3.892,336 2.951,337 3.669,338 2.028,339 9.329,340 2.78,341 4.07,342 3.516,343 5.626,344 3.666,345 2.711,346 3.626,347 1.408,348 7.799,349 2.582,350 3.74,351 3.122,352 5.458,353 3.439,354 2.498,355 2.949,356 0.993,357 7.281,358 2.339,359 3.528,360 2.939,361 5.017,362 3.219,363 2.242,364 2.648,365 0.86,366 6.038,367 2.178,368 3.351,369 2.781,370 4.765,371 2.874,372 1.939,373 2.537,374 0.849,375 5.345,376 1.774,377 3.133,378 2.306,379 4.459,380 2.664,381 1.737,382 2.278,383 0.25,384 4.511,385 1.56,386 2.888,387 2.279,388 4.331,389 2.584,390 1.639,391 1.874,392 0.129,393 4.181,394 1.487,395 2.658,396 1.554,397 3.491,398 2.161,399 1.181,400 1.727,402 2.611,403 1.122,404 2.213,405 1.274,406 3.479,407 1.952,408 1.068,409 1.153,411 2.582,412 0.946,413 2,414 1.256,415 3.247,416 1.949,417 1,418 1,420 2.136,421 0.934,422 1.302,423 0.819,424 2.964,425 0.957,430 1.187,431 0.703,432 2.566,433 0.71,434 -0.305,435 -0.391,436 -0.752,437 -0.21,438 1,439 0.359,440 2.445,441 0.614,442 -0.393,443 -0.502,445 -0.994,446 -0.324,447 0.886,448 0.177,449 2.112,450 0.38,451 -0.441,452 -0.543,454 -1.065,455 -0.382,456 0.618,457 -0.205,458 2,459 0.341,460 -0.599,461 -0.744,463 -1.407,464 -0.592,465 11.933,466 0.497,467 0.575,468 0.024,469 28.75,470 1.198,471 12.5,472 0.521,473 16.25,474 0.677,475 19.993,476 0.833,477 25.867,478 0.631,479 20.032,480 0.835,481 5.789,482 0.241,483 5.809,484 0.242,485 0.168,487 0.285,493 0.784,494 1.483,495 0.492,496 0.93,497 0.554,498 0.896,499 0.913,500 1.179,501 0.585,502 0.851,503 0.579,504 0.924,505 1.313,506 0.988,507 0.958,508 0.859,509 1.148,510 0.956,511 0.482,512 0.969,513 0.693,514 0.97,515 0.635,516 1.006,517 1.198,518 0.999,519 0.832,520 0.937,521 1.428,522 0.961,523 1.069,524 1.105,525 0.558,526 0.946,527 1.373,528 0.996,529 1.254,530 0.945,531 0.931,532 0.895,533 1.488,534 0.964,535 1.283,536 0.913,537 0.62,538 0.732,539 1.291,540 0.732,541 5.5,542 0.066,543 1.556,544 1.75,545 0.987,546 0.819,547 0.364,548 0.266,549 0.185,550 0.14,551 6588,552 21797,553 2.064,554 41.5,556 13,559 2,560 2,564 1.668,565 1.946,566 3.349,567 0.378,568 1,569 1,573 73.418,574 1.791,575 3.825,576 4.577,577 4.821,578 4.821,579 4.821,580 2.772,581 4.022,582 4.559,583 3.5,584 965.947,585 7.86,586 11585.7,588 1,590 1,591 219.66,592 1.347,593 4.522,594 0.212,595 0.004,596 0.044,597 0.053,598 0.032,599 0.028,600 0.013,601 0.012,602 0.009,603 0.008,604 0.415,605 0.33,606 1,607 0.566,608 115.02,609 -0.089,610 -0.264,611 0.002,612 -0.072,613 -0.037,614 -0.017,615 0.005,616 -0.06,617 0.013,618 0.004,619 0.056,620 -0.037,621 -0.285,622 0.056,623 -0.097,624 0.047,625 -0.193,626 -0.043,627 0.289,628 0.035,629 0.043,630 -0.067,631 0.182,632 -0.029,633 -0.157,634 -0.015,635 -0.068,636 -0.039,637 -0.157,638 -0.021,639 0.128,640 -0.141,641 0.058,642 -0.089,643 0.16,644 -0.081,645 -0.097,646 0.003,647 -0.079,648 0.01,649 -0.154,650 -0.025,651 -0.14,652 0.011,653 0.113,654 0.145,655 -0.101,656 0.219,657 1.934,658 5.17,659 0.75,660 20.333,661 1.02,662 1.131,663 2.456,664 6.03,665 0.685,666 3.296,667 3.584,668 3.761,669 4.025,670 4.19,671 4.174,672 4.174,673 4.263,674 4.22,675 4.263,676 6.163,677 0.657,678 393.27,679 3.296,680 4.812,681 5.624,682 6.482,683 7.307,684 8.169,685 9,686 9.864,687 10.698,688 11.563,689 9.8,692 1,696 2,698 1,704 4,709 2,711 6,730 1,731 41,733 10,734 1,735 26,736 1,737 43,738 16,739 6,740 2,741 4,742 4,746 3,747 3,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,778 1,781 17,782 7,783 2,784 8,785 1,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,843 1,848 24,854 5,855 2,856 1,859 1,869 1,870 7.3,873 2,874 1,877 12.333,878 7.21,879 5.278,880 2.358,881 1.685,882 1.246,883 0.977,884 5.66,885 8.524,886 3.526,887 4.016,888 4.41,889 4.917,890 5.285,891 5.362,892 5.338,893 5.625,894 5.534,895 5.858,896 0.857,897 33,898 8.888,900 3.751,901 7.906,902 16.708,904 13.367,905 2.406,906 57.75,910 176.567,911 83.189,912 101.885,914 61.29,917 129.143,918 237.856,919 55.931,921 51.952,922 47.381,923 73.027,924 28.05,926 176.567,927 45.954,928 176.567,929 139.12,930 61.29,932 45.954,933 176.567,934 50.29,935 11,937 71.862,938 57.782,939 9.476,940 45.954,941 176.567,942 117.221,943 129.143,946 176.567,947 35.808,948 50.506,949 81.976,950 78.075,951 176.567,952 117.221,953 129.143,955 0.573,956 0.313,957 0.176,958 0.096,959 16,960 7,961 0.093,962 4,964 1,965 3.679,966 186.063,968 18,969 106.039,974 17.145,975 7.923,976 4.903,978 117.221,979 7.306,984 1.558,986 36.022,987 422.931,988 33,993 24.017,995 1.445,996 4.401,997 0.413,999 41.803,1000 46.369,1001 0.334,1002 0.714,1003 0.854,1004 0.9,1005 0.9,1006 0.9,1007 4.758,1008 1.181,1009 5.587,1010 4.181,1011 4.263,1012 4.7,1013 2.784,1014 6.319,1015 4.139,1016 5.928,1017 1.068,1018 7.089,1019 2.611,1020 3.761,1021 4.407,1022 1.912,1023 6.986,1024 3.563,1025 7.206,1026 1,1027 8.682,1028 2.582,1029 5.778,1030 6.706,1031 3.513,1032 10.059,1033 5.547,1034 8.508,1036 10.326,1037 2.136,1038 6.019,1039 7.125,1040 3.388,1041 11.52,1042 5.719,1043 9.836,1044 -0.305,1045 12.004,1047 7.531,1048 8.96,1049 4.59,1050 14.092,1051 7.195,1052 11.182,1053 -0.393,1054 13.705,1055 -0.752,1056 8.153,1057 9.738,1058 4.849,1059 15.934,1060 7.749,1061 12.543,1062 -0.441,1063 15.424,1064 -0.994,1065 9.426,1066 11.352,1067 5.84,1068 18.297,1069 8.979,1070 2.951,1071 -0.599,1072 17.157,1073 -1.065,1074 10.253,1075 12.332,1076 6.297,1077 20.331,1078 9.739,1079 2.711,1080 9.329,1081 18.902,1082 -1.407,1083 11.409,1084 13.823,1085 7.17,1086 22.605,1087 10.848,1088 2.498,1089 7.799,1090 20.656,1091 3.669,1092 12.346,1093 14.922,1094 7.733,1095 24.735,1096 11.718,1097 2.242,1098 7.281,1099 22.419,1100 3.626,1101 13.447,1102 16.342,1103 8.539,1104 26.975,1105 12.769,1106 1.939,1107 6.038,1108 24.189,1109 2.949,1110 14.443,1111 17.512,1112 9.162,1113 29.153,1114 13.7,1115 1.737,1116 5.345,1117 25.965,1118 2.648,1119 15.52,1120 18.888,1121 9.928,1122 31.38,1123 14.722,1124 1.639,1125 4.511,1126 27.746,1127 2.537,1128 16.548,1129 20.103,1130 10.586,1131 33.582,1132 15.687,1133 6376,1134 11716,1135 17.394,1136 28.068,1137 38.369,1138 40.041,1139 38.85,1140 38.071,1141 37.933,1142 46.925,1143 13.034,1144 103.625,1145 35.406,1146 5.263,1147 5.682,1148 6.004,1149 4.995,1150 4.951,1151 6.669,1152 3.592,1153 15.602,1154 4.78,1155 10.623,1156 1.476,1157 1.54,1158 1.494,1159 1.464,1160 1.459,1161 1.805,1162 0.501,1163 3.986,1164 1.362,1165 3.947,1166 3.988,1167 6.88,1168 3.867,1169 7.432,1170 3.853,1171 3.872,1172 3.909,1173 3.874,1174 3.708,1175 7.427,1176 3.733,1177 3.679,1178 3.729,1179 3.751,1180 3.463,1181 4.781,1182 3.481,1183 3.458,1184 3.485,1185 3.567,1186 3.255,1187 4.739,1188 3.279,1189 3.111,1190 3.206,1191 3.372,1192 2.941,1193 4.575,1194 2.91,1195 2.996,1196 3.061,1197 2.903,1198 2.9,1199 3.981,1200 2.845,1201 2.944,1202 2.99,1203 2.866,1204 2.786,1205 3.877,1206 2.768,1207 2.87,1208 2.915,1209 2.86,1210 2.597,1211 3.755,1212 2.66,1213 0.164,1214 0.142,1215 0.239,1216 0.15,1217 0.114,1218 4.263,1219 0.141,1220 3.682,1221 0.078,1222 6.202,1223 0.359,1224 3.892,1225 0.107,1226 2.951,1227 3.669,1228 2.028,1229 9.329,1230 2.78,1231 1.888,1232 1.862,1233 1.97,1234 2.034,1235 1.209,1236 2.013,1237 1.8,1238 1.754,1239 1.944,1240 1.969,1241 1.077,1242 1.974,1243 1.607,1244 1.557,1245 1.782,1246 1.843,1247 0.934,1248 1.829,1249 1.366,1250 1.335,1251 1.527,1252 1.598,1253 0.825,1254 1.574,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.614,1260 1.429,1261 0.944,1262 0.884,1263 1.181,1264 1.187,1265 0.237,1266 1.187,1267 0.872,1268 0.83,1269 1.071,1270 1.145,1271 0.204,1272 1.113,1273 0.777,1274 0.72,1275 1.036,1276 0.995,1277 0.17,1278 1.042,1279 3.97,1281 5.263,1283 6.739,1285 8.3,1287 9.904,1288 3.355,1295 2.57,1296 5.405,1297 5.299,1300 1.981,1305 26.943,1306 73.418,1307 156.831,1308 187.66,1309 197.66,1310 197.66,1311 197.66,1312 43.319,1313 6.838,1314 87.32,1315 87.32,1316 18,1317 12.117,1318 3.459,1319 3,1320 39.316,1321 88,1322 78,1323 0.215,1324 172.656,1325 308.55,1326 413.04,1327 8208,1328 2.4,1329 16.941,1330 0.706,1331 0.604,1332 17.941,1333 14.505,1334 11.597,1335 0.446,1336 0.322,1337 7.488,1338 10.447,1339 7.331,1340 5.99,1341 12.175,1342 8.377,1343 10.551,1344 0.301,1345 0.18,1346 11.367,1347 6.301,1348 7.91,1349 0.188,1350 0.096,1351 8.434,1352 4.042,1353 6.994,1354 0.127,1355 0.052,1356 7.531,1357 2.855,1358 5.237,1359 0.081,1360 0.027,1361 5.569,1362 1.772,1363 0.339,1364 81.91,1365 0.24,1366 23.631,1367 0.583,1368 122,1369 417.817,1370 203.865,1371 429.713,1372 560.64,1373 400,1374 138,1375 368.783,1376 181.014,1377 380.662,1378 551.65,1379 358,1380 5.72}
{0 CHEMBL2151924,1 1.876,2 10.88,3 1.065,4 1.135,5 84.863,6 8.545,7 0.222,8 3.851,9 3.962,10 3.508,11 3.292,12 5.086,13 3.334,14 4.393,15 4.551,16 3.872,17 3.643,18 5.69,19 3.676,20 4.651,21 4.851,22 3.9,23 3.738,24 6.046,25 3.753,26 4.569,27 4.79,28 3.79,29 3.68,30 5.875,31 3.648,32 4.525,33 4.737,34 3.709,35 3.607,36 5.798,37 3.598,38 4.471,39 4.658,40 3.723,41 3.52,42 5.989,43 3.527,44 4.419,45 4.64,46 3.549,47 3.393,48 5.826,49 3.39,50 4.263,51 4.491,52 3.427,53 3.248,54 5.597,55 3.261,56 0.215,57 0.755,58 6.503,59 3.392,60 23.034,61 3.869,62 0.576,63 1.149,64 14.272,65 5.534,66 45.781,67 6.597,68 1.086,69 1.439,70 22.323,71 6.351,72 130.298,73 7.695,74 0.815,75 1.16,76 20.754,77 7.035,78 86.158,79 9.36,80 0.808,81 1.012,82 20.21,83 6.072,84 99.107,85 7.938,86 0.903,87 0.943,88 18.545,89 5.867,90 140.804,91 7.416,92 0.935,93 0.877,94 19.426,95 5.097,96 132.541,97 6.715,98 0.752,99 0.796,100 17.181,101 4.389,102 87.732,103 5.75,104 17,105 37,106 0.332,107 0.69,108 0.808,109 0.846,110 0.854,111 0.854,112 3.266,113 0.854,114 -3.57,115 -3.54,116 -3.38,119 39,121 1,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 1,175 5,178 3,180 5,183 1,186 1,192 1,195 1,198 3,199 4,202 3,203 1,207 3,211 1,212 2,220 1,223 2,224 3,227 2,229 3,236 1,237 2,240 1,242 1,250 4,258 2,262 1,263 2,266 1,271 1,275 920,276 16.602,277 16.602,278 16.602,279 16.602,280 16.602,281 15.073,282 23.083,283 9.9,284 17.093,285 13.355,286 13.355,287 13.355,288 13.355,289 13.355,290 10.945,291 29.174,292 4.775,293 14.171,294 3.482,295 1.463,296 0.799,297 0.585,298 0.537,299 0.537,300 3.946,304 1,305 1,306 579,307 2.915,311 261.763,318 1.584,319 45.932,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 272,332 4.266,333 3.682,334 6.202,335 3.893,336 2.952,337 3.875,338 2.028,339 9.329,340 2.783,341 4.22,342 3.517,343 5.958,344 3.789,345 2.842,346 3.634,347 1.408,348 8.381,349 2.681,350 3.793,351 3.285,352 5.553,353 3.506,354 2.551,355 3.03,356 0.993,357 7.508,358 2.428,359 3.572,360 3.122,361 5.309,362 3.297,363 2.336,364 2.746,365 0.86,366 6.747,367 2.232,368 3.423,369 2.788,370 4.901,371 3.017,372 2.032,373 2.589,374 0.849,375 5.686,376 1.969,377 3.195,378 2.389,379 4.522,380 2.709,381 1.745,382 2.322,383 0.25,384 4.65,385 1.678,386 2.888,387 2.287,388 4.335,389 2.601,390 1.662,391 1.948,392 0.129,393 4.191,394 1.535,395 2.82,396 2.092,397 4.039,398 2.353,399 1.414,400 1.873,402 3.521,403 1.311,404 2.213,405 1.554,406 3.49,407 1.952,408 1.069,409 1.153,411 2.607,412 0.946,413 2,414 1.256,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.534,423 0.884,424 3.021,425 1.185,426 0.284,427 0.335,428 0.662,429 0.249,430 1.293,431 0.768,432 2.59,433 0.841,434 -0.112,435 -0.125,436 -0.306,437 -0.103,438 1,439 0.692,440 2.526,441 0.624,442 -0.378,443 -0.481,445 -0.965,446 -0.364,447 0.959,448 0.337,449 2.374,450 0.55,451 -0.41,452 -0.51,454 -1.048,455 -0.387,456 0.632,457 -0.136,458 2.195,459 0.379,460 -0.597,461 -0.74,463 -1.406,464 -0.586,465 11.171,466 0.447,467 0.664,468 0.027,469 29.75,470 1.19,471 12.5,472 0.5,473 17.25,474 0.69,475 19.019,476 0.761,477 28.429,478 0.693,479 23.944,480 0.958,481 6.41,482 0.256,483 5.598,484 0.224,485 0.111,487 0.349,491 2,493 0.682,494 1.223,495 0.646,496 1.194,497 0.532,498 0.969,499 0.793,500 1.088,501 0.806,502 1.093,503 0.573,504 0.995,505 1.084,506 0.937,507 1.11,508 0.88,509 0.922,510 0.954,511 0.607,512 0.831,513 0.858,514 1.057,515 0.702,516 1.071,517 0.894,518 0.765,519 0.973,520 0.953,521 0.974,522 0.977,523 0.83,524 0.908,525 0.949,526 1.097,527 0.891,528 1.09,529 0.961,530 0.852,531 1.034,532 0.872,533 0.998,534 0.943,535 1.101,536 0.748,537 0.96,538 0.745,539 1.065,540 0.778,541 6,542 0.116,543 2.222,544 1.813,545 1.178,546 0.875,547 0.446,548 0.29,549 0.234,550 0.162,551 7341,552 27336,553 2.038,554 39,556 12,559 2,560 2,564 1.678,565 1.899,566 3.425,567 0.391,568 1,569 1,571 1,573 76.905,574 1.876,575 3.895,576 4.559,577 4.772,578 4.821,579 4.821,580 2.869,581 4.484,582 4.618,583 3.564,584 1069.13,585 7.975,586 13238.2,587 1,588 1,591 219.66,592 1.44,593 4.569,594 0.222,595 0.007,596 0.06,597 0.05,598 0.037,599 0.029,600 0.015,601 0.012,602 0.011,603 0.008,604 0.452,605 0.33,606 1,607 0.609,608 121.769,609 -0.083,610 -0.202,611 0.025,612 -0.111,613 -0.029,614 -0.02,615 -0.037,616 -0.156,617 0.009,618 -0.1,619 0.027,620 -0.055,621 -0.146,622 0.018,623 -0.168,624 0.045,625 -0.027,626 -0.031,627 0.143,628 0.047,629 0.079,630 -0.082,631 0.057,632 -0.054,633 -0.085,634 0.018,635 -0.027,636 -0.01,637 -0.107,638 0.01,639 0.078,640 -0.12,642 -0.147,643 0.113,644 -0.124,645 -0.012,646 -0.045,647 -0.018,648 0.032,649 -0.007,650 0.021,651 -0.11,652 0.088,653 0.08,654 0.169,655 -0.09,656 0.198,657 2.723,658 5.166,659 0.72,660 21.472,661 1.039,662 1.151,663 2.336,664 5.458,665 0.649,666 3.332,667 3.638,668 3.829,669 4.06,670 4.248,671 4.234,672 4.248,673 4.29,674 4.277,675 4.317,676 6.405,677 0.651,678 350.36,679 3.332,680 4.86,681 5.68,682 6.541,683 7.376,684 8.239,685 9.079,686 9.944,687 10.786,688 11.65,689 9.8,692 1,696 2,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 27,737 43,738 16,739 6,740 3,741 3,742 4,746 3,747 3,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 2,781 16,782 9,783 2,784 9,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,846 2,848 25,854 5,855 2,856 1,859 1,869 2,870 7.3,873 2,874 1,877 13.167,878 7.269,879 5.472,880 2.345,881 1.706,882 1.246,883 0.973,884 5.413,885 8.638,886 3.555,887 4.069,888 4.48,889 4.965,890 5.367,891 5.46,892 5.464,893 5.649,894 5.611,895 5.915,896 1,897 36,898 9.344,900 4.115,901 8.327,902 16.88,904 13.547,905 2.827,906 70.667,910 164.795,911 88.9,912 55.931,914 61.29,915 29.92,917 88.9,918 226.085,919 85.852,921 51.952,922 37.905,923 73.027,924 43.237,925 29.92,926 164.795,928 164.795,929 144.831,930 91.21,933 194.716,934 50.29,935 11,937 71.862,938 63.493,939 9.476,941 194.716,942 117.221,943 88.9,946 164.795,947 50.995,948 41.029,949 36.022,950 107.995,951 164.795,952 147.141,953 88.9,955 0.58,956 0.324,957 0.172,958 0.095,959 17,960 8,961 0.093,962 4,964 1,965 3.732,966 197.538,968 18,969 112.096,974 17.522,975 7.723,976 4.619,978 147.141,979 3.05,984 -1.934,986 36.022,987 400.836,988 34,993 23.853,995 1.363,996 4.29,997 -0.211,999 42.6,1000 47.207,1001 0.35,1002 0.727,1003 0.851,1004 0.891,1005 0.9,1006 0.9,1007 4.8,1008 1.414,1009 5.659,1010 4.191,1011 4.317,1012 4.754,1013 2.784,1014 6.412,1015 4.207,1016 5.985,1017 1.069,1018 7.183,1019 3.521,1020 3.892,1021 4.559,1022 1.912,1023 7.14,1024 3.734,1025 7.277,1026 1,1027 8.798,1028 2.607,1029 5.861,1030 6.8,1031 3.513,1032 10.2,1033 5.646,1034 8.594,1035 0.284,1036 10.464,1037 2.136,1038 6.176,1039 7.332,1040 3.388,1041 11.695,1042 5.901,1043 9.937,1044 -0.112,1045 12.162,1046 0.662,1047 7.648,1048 9.113,1049 4.59,1050 14.262,1051 7.323,1052 11.298,1053 -0.378,1054 13.882,1055 -0.306,1056 8.326,1057 10.001,1058 4.849,1059 16.113,1060 7.934,1061 12.673,1062 -0.41,1063 15.618,1064 -0.965,1065 9.576,1066 11.576,1067 5.84,1068 18.475,1069 9.134,1070 2.952,1071 -0.597,1072 17.365,1073 -1.048,1074 10.441,1075 12.655,1076 6.297,1077 20.505,1078 9.93,1079 2.842,1080 9.329,1081 19.123,1082 -1.406,1083 11.586,1084 14.127,1085 7.17,1086 22.777,1087 11.024,1088 2.551,1089 8.381,1090 20.888,1091 3.875,1092 12.547,1093 15.314,1094 7.733,1095 24.898,1096 11.918,1097 2.336,1098 7.508,1099 22.66,1100 3.634,1101 13.645,1102 16.728,1103 8.539,1104 27.133,1105 12.962,1106 2.032,1107 6.747,1108 24.437,1109 3.03,1110 14.656,1111 17.977,1112 9.162,1113 29.3,1114 13.907,1115 1.745,1116 5.686,1117 26.219,1118 2.746,1119 15.733,1120 19.361,1121 9.928,1122 31.521,1123 14.928,1124 1.662,1125 4.65,1126 28.004,1127 2.589,1128 16.769,1129 20.646,1130 10.586,1131 33.713,1132 15.901,1133 7135,1134 13919,1135 17.8,1136 26.591,1137 40.212,1138 42.19,1139 40.858,1140 39.726,1141 39.776,1142 49.012,1143 13.034,1144 110.838,1145 37.494,1146 5.266,1147 5.682,1148 6.004,1149 4.996,1150 4.952,1151 6.875,1152 3.592,1153 15.605,1154 4.783,1155 12.754,1156 1.489,1157 1.563,1158 1.513,1159 1.471,1160 1.473,1161 1.815,1162 0.483,1163 4.105,1164 1.389,1165 3.955,1166 3.995,1167 3.915,1168 3.833,1169 8.24,1170 3.845,1171 3.881,1172 3.921,1173 3.836,1174 3.705,1175 8.161,1176 3.732,1177 3.68,1178 3.73,1179 3.576,1180 3.461,1181 7.432,1182 3.481,1183 3.464,1184 3.492,1185 3.406,1186 3.25,1187 7.427,1188 3.278,1189 3.111,1190 3.206,1191 2.969,1192 2.941,1193 4.761,1194 2.91,1195 3.021,1196 3.081,1197 2.874,1198 2.803,1199 4.582,1200 2.833,1201 2.944,1202 2.992,1203 2.866,1204 2.733,1205 4.57,1206 2.733,1207 2.894,1208 2.954,1209 2.801,1210 2.596,1211 3.925,1212 2.66,1213 0.158,1214 0.136,1215 0.23,1216 0.144,1217 0.109,1218 4.266,1219 0.144,1220 3.682,1221 0.075,1222 6.202,1223 0.346,1224 3.893,1225 0.103,1226 2.952,1227 3.875,1228 2.028,1229 9.329,1230 2.783,1231 1.876,1232 1.849,1233 1.964,1234 2.036,1235 1.209,1236 2.013,1237 1.799,1238 1.753,1239 1.941,1240 1.988,1241 1.045,1242 1.974,1243 1.607,1244 1.556,1245 1.78,1246 1.846,1247 0.927,1248 1.829,1249 1.363,1250 1.333,1251 1.524,1252 1.605,1253 0.825,1254 1.572,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.613,1260 1.429,1261 0.923,1262 0.866,1263 1.144,1264 1.195,1265 0.212,1266 1.176,1267 0.856,1268 0.803,1269 1.079,1270 1.147,1271 0.18,1272 1.109,1273 0.775,1274 0.72,1275 1.037,1276 1.068,1277 0.061,1278 1.074,1279 4.007,1281 5.313,1283 6.804,1285 8.377,1287 9.993,1291 26.064,1295 2.098,1296 4.94,1297 5.254,1300 1.898,1305 26.684,1306 76.905,1307 159.685,1308 186.905,1309 195.66,1310 197.66,1311 197.66,1312 63.779,1313 6.932,1314 87.32,1315 87.32,1316 18,1317 12.202,1318 3.459,1319 3,1320 41.866,1321 96,1322 90,1323 0.211,1324 163.138,1325 301.41,1326 389.817,1327 9241,1328 4.9,1329 17.811,1330 0.712,1331 0.529,1332 16.071,1333 13.22,1334 12.008,1335 0.445,1336 0.285,1337 7.495,1338 11.21,1339 7.432,1340 6.05,1341 11.204,1342 7.689,1343 11.047,1344 0.299,1345 0.149,1346 9.917,1347 5.504,1348 8.572,1349 0.19,1350 0.081,1351 7.59,1352 3.644,1353 7.093,1354 0.124,1355 0.043,1356 6.643,1357 2.463,1358 5.494,1359 0.08,1360 0.023,1361 5.107,1362 1.589,1363 0.334,1364 77.735,1365 0.237,1366 24.49,1367 0.568,1368 128,1369 579.385,1370 151.656,1371 491.775,1372 632.67,1373 456,1374 146,1375 432.717,1376 168.073,1377 418.303,1378 609.31,1379 393,1380 5.415}
{0 CHEMBL2151925,1 1.756,2 10.88,3 1.346,4 1.811,5 89.688,6 7.873,7 0.222,8 3.9,9 4.019,10 3.498,11 3.357,12 5.061,13 3.374,14 4.448,15 4.621,16 3.853,17 3.717,18 5.642,19 3.718,20 4.685,21 4.887,22 3.866,23 3.832,24 5.879,25 3.813,26 4.677,27 4.91,28 3.781,29 3.787,30 5.889,31 3.724,32 4.603,33 4.827,34 3.706,35 3.697,36 5.782,37 3.655,38 4.549,39 4.759,40 3.697,41 3.605,42 5.883,43 3.579,44 4.48,45 4.697,46 3.547,47 3.485,48 5.837,49 3.452,50 4.358,51 4.607,52 3.391,53 3.354,54 5.512,55 3.325,56 0.122,57 0.727,58 8.309,59 3.692,60 12.348,61 4.696,62 0.449,63 1.114,64 17.204,65 6.041,66 34.3,67 8.001,68 0.683,69 1.334,70 23.715,71 6.918,72 66.365,73 9.267,74 0.71,75 1.26,76 24.656,77 8.064,78 79.112,79 11.015,80 0.612,81 1.054,82 22.644,83 6.572,84 67.085,85 9.473,86 0.671,87 0.98,88 21.648,89 6.554,90 93.87,91 8.963,92 0.795,93 0.893,94 20.875,95 5.514,96 115.257,97 7.718,98 0.542,99 0.814,100 19.366,101 5.057,102 66.361,103 7.138,104 17,105 37,106 0.307,107 0.672,108 0.82,109 0.847,110 0.847,111 0.847,112 3.266,113 0.889,114 -3.69,115 -3.65,116 -3.48,119 38.6,120 1,121 1,125 4,135 1,139 1,142 3,143 1,144 2,158 3,172 3,174 1,175 5,178 3,180 5,183 3,186 1,192 2,195 3,198 3,199 4,202 3,203 1,204 1,207 4,211 1,212 3,220 2,223 2,224 4,227 2,229 3,232 1,236 1,237 3,240 1,242 2,250 5,255 1,258 2,262 1,263 4,266 1,271 2,275 920,276 16.602,277 16.602,278 16.602,279 16.602,280 16.602,281 15.073,282 23.582,283 9.9,284 17.039,285 13.355,286 13.355,287 13.355,288 13.355,289 13.355,290 10.945,291 30.238,292 4.775,293 14.056,294 3.703,295 1.61,296 0.762,297 0.608,298 0.608,299 0.608,300 3.946,303 1,304 1,305 1,306 579,307 2.915,311 261.763,318 1.584,319 37.402,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 56.5,331 272,332 4.266,333 3.682,334 6.202,335 3.894,336 2.952,337 3.875,338 2.028,339 9.329,340 2.79,341 4.22,342 3.516,343 5.958,344 3.811,345 2.842,346 3.634,347 1.408,348 8.381,349 2.74,350 3.793,351 3.155,352 5.553,353 3.512,354 2.551,355 3.03,356 0.993,357 7.508,358 2.451,359 3.572,360 3.121,361 5.309,362 3.302,363 2.336,364 2.746,365 0.86,366 6.747,367 2.241,368 3.423,369 2.787,370 4.901,371 3.022,372 2.032,373 2.589,374 0.849,375 5.686,376 1.99,377 3.195,378 2.389,379 4.522,380 2.71,381 1.745,382 2.322,383 0.25,384 4.65,385 1.681,386 2.888,387 2.287,388 4.335,389 2.602,390 1.662,391 1.948,392 0.129,393 4.191,394 1.535,395 2.82,396 1.782,397 4.039,398 2.392,399 1.414,400 1.873,402 3.521,403 1.374,404 2.213,405 1.554,406 3.49,407 1.952,408 1.069,409 1.153,411 2.607,412 0.946,413 2,414 1.256,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.534,423 0.882,424 3.021,425 1.205,426 0.284,427 0.335,428 0.662,429 0.256,430 1.293,431 0.759,432 2.59,433 0.857,434 -0.112,435 -0.125,436 -0.306,437 -0.106,438 1,439 0.687,440 2.526,441 0.636,442 -0.378,443 -0.481,445 -0.965,446 -0.373,447 0.959,448 0.256,449 2.374,450 0.595,451 -0.41,452 -0.51,454 -1.048,455 -0.401,456 0.632,457 -0.205,458 2.195,459 0.38,460 -0.597,461 -0.74,463 -1.406,464 -0.591,465 11.386,466 0.455,467 0.664,468 0.027,469 29.5,470 1.18,471 12.5,472 0.5,473 17,474 0.68,475 19.954,476 0.798,477 28.214,478 0.641,479 23.008,480 0.92,481 6.247,482 0.25,483 5.761,484 0.23,485 0.128,487 0.343,491 1,493 0.707,494 1.341,495 0.717,496 1.212,497 0.537,498 1.006,499 0.81,500 1.099,501 0.819,502 1.035,503 0.557,504 0.953,505 1.208,506 1.087,507 1.147,508 0.963,509 1.049,510 1.008,511 0.797,512 1.011,513 0.968,514 1.07,515 0.936,516 1.071,517 0.879,518 0.785,519 0.974,520 0.97,521 0.972,522 0.982,523 0.949,524 0.956,525 0.935,526 1.057,527 1.081,528 1.012,529 1.074,530 0.886,531 1.089,532 0.919,533 1.226,534 0.988,535 1.231,536 0.907,537 0.934,538 0.758,539 1.167,540 0.753,541 6,542 0.116,543 2.222,544 1.813,545 1.178,546 0.875,547 0.446,548 0.29,549 0.234,550 0.162,551 7341,552 23508,553 2.038,554 43.2,555 3,556 12,559 2,560 2,564 1.678,565 1.899,566 3.425,567 0.352,568 1,569 1,571 1,573 77.263,574 1.756,575 3.849,576 4.698,577 4.851,578 4.851,579 4.851,580 2.869,581 4.484,582 4.618,583 3.564,584 1069.13,585 7.975,586 13238.2,588 1,591 240.215,592 1.44,593 4.569,594 0.222,595 0.007,596 0.06,597 0.05,598 0.037,599 0.029,600 0.015,601 0.012,602 0.011,603 0.008,604 0.452,605 0.33,606 1,607 0.609,608 121.769,609 -0.07,610 -0.22,611 0.037,612 -0.106,613 -0.034,614 -0.019,615 0.009,616 -0.092,617 0.055,618 -0.027,619 0.05,620 0.007,621 -0.233,622 -0.068,623 -0.207,624 -0.014,625 -0.134,626 -0.08,627 0.095,628 0.049,629 -0.003,630 -0.078,631 0.011,632 -0.077,633 -0.049,634 0.034,635 -0.025,636 -0.031,637 -0.075,638 -0.016,639 0.047,640 -0.112,641 0.044,642 -0.099,643 0.06,644 -0.046,645 0.014,646 -0.044,647 -0.082,648 -0.008,649 0.005,650 -0.058,651 -0.183,652 -0.027,653 0.105,654 0.165,655 -0.12,656 0.215,657 2.006,658 5.273,659 0.72,660 21.472,661 1.022,662 1.143,663 2.456,664 6.03,665 0.646,666 3.332,667 3.638,668 3.829,669 4.06,670 4.248,671 4.234,672 4.248,673 4.29,674 4.277,675 4.317,676 6.405,677 0.632,678 346.4,679 3.332,680 4.86,681 5.68,682 6.541,683 7.376,684 8.239,685 9.079,686 9.944,687 10.786,688 11.65,689 9.1,692 1,696 2,698 1,704 3,709 3,711 6,730 1,731 44,733 10,734 1,735 27,737 46,738 17,739 6,740 3,741 3,742 4,746 3,747 3,752 1,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 19,782 8,783 2,784 8,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,844 1,846 1,848 25,854 5,855 2,856 1,859 1,869 1,870 6.8,873 2,874 1,877 13.167,878 8.126,879 5.472,880 2.559,881 1.706,882 1.246,883 0.968,884 5.462,885 8.638,886 3.555,887 4.069,888 4.48,889 4.965,890 5.367,891 5.46,892 5.464,893 5.649,894 5.611,895 5.915,896 1,897 36,898 9.301,900 3.99,901 8.087,902 17.234,904 13.821,905 2.587,906 64.667,910 200.109,911 91.789,912 55.931,914 61.29,915 14.96,917 91.789,918 261.398,919 70.891,920 8.825,921 51.952,922 37.905,923 73.027,924 37.301,925 14.96,926 200.109,928 200.109,929 147.721,930 76.25,933 215.069,934 50.29,935 11,937 80.687,938 57.557,939 9.476,941 215.069,942 117.221,943 91.789,946 200.109,947 45.059,948 49.855,949 36.022,950 93.035,951 200.109,952 132.181,953 91.789,955 0.58,956 0.324,957 0.172,958 0.095,959 17,960 8,961 0.087,962 4,964 1,965 3.732,966 197.538,968 18,969 112.096,974 17.585,975 7.766,976 4.65,978 132.181,979 4.332,984 0.608,986 36.022,987 424.079,988 34,993 24.025,995 1.413,996 4.365,997 0.169,999 44.971,1000 50.283,1001 0.322,1002 0.705,1003 0.861,1004 0.889,1005 0.889,1006 0.889,1007 4.8,1008 1.414,1009 5.659,1010 4.191,1011 4.317,1012 4.754,1013 2.784,1014 6.412,1015 4.225,1016 5.985,1017 1.069,1018 7.183,1019 3.521,1020 3.892,1021 4.559,1022 1.912,1023 7.14,1024 3.776,1025 7.277,1026 1,1027 8.798,1028 2.607,1029 5.861,1030 6.8,1031 3.513,1032 10.2,1033 5.68,1034 8.594,1035 0.284,1036 10.464,1037 2.136,1038 6.176,1039 7.332,1040 3.388,1041 11.695,1042 5.963,1043 9.937,1044 -0.112,1045 12.162,1046 0.662,1047 7.648,1048 9.113,1049 4.59,1050 14.262,1051 7.377,1052 11.298,1053 -0.378,1054 13.882,1055 -0.306,1056 8.326,1057 10.001,1058 4.849,1059 16.113,1060 8.014,1061 12.673,1062 -0.41,1063 15.618,1064 -0.965,1065 9.576,1066 11.576,1067 5.84,1068 18.475,1069 9.21,1070 2.952,1071 -0.597,1072 17.365,1073 -1.048,1074 10.441,1075 12.655,1076 6.297,1077 20.505,1078 10.028,1079 2.842,1080 9.329,1081 19.123,1082 -1.406,1083 11.586,1084 14.127,1085 7.17,1086 22.777,1087 11.123,1088 2.551,1089 8.381,1090 20.888,1091 3.875,1092 12.547,1093 15.314,1094 7.733,1095 24.898,1096 12.034,1097 2.336,1098 7.508,1099 22.66,1100 3.634,1101 13.645,1102 16.728,1103 8.539,1104 27.133,1105 13.081,1106 2.032,1107 6.747,1108 24.437,1109 3.03,1110 14.656,1111 17.977,1112 9.162,1113 29.3,1114 14.041,1115 1.745,1116 5.686,1117 26.219,1118 2.746,1119 15.733,1120 19.361,1121 9.928,1122 31.521,1123 15.067,1124 1.662,1125 4.65,1126 28.004,1127 2.589,1128 16.769,1129 20.646,1130 10.586,1131 33.713,1132 16.052,1133 7135,1134 12881,1135 17.8,1136 28.415,1137 40.212,1138 42.069,1139 40.858,1140 39.68,1141 39.776,1142 49.012,1143 13.034,1144 110.838,1145 37.876,1146 5.266,1147 5.682,1148 6.004,1149 4.997,1150 4.952,1151 6.875,1152 3.592,1153 15.605,1154 4.79,1155 12.754,1156 1.489,1157 1.558,1158 1.513,1159 1.47,1160 1.473,1161 1.815,1162 0.483,1163 4.105,1164 1.403,1165 3.965,1166 4.003,1167 3.916,1168 3.865,1169 8.201,1170 3.869,1171 3.886,1172 3.929,1173 3.836,1174 3.707,1175 7.432,1176 3.735,1177 3.681,1178 3.732,1179 3.577,1180 3.463,1181 7.427,1182 3.482,1183 3.472,1184 3.504,1185 3.408,1186 3.259,1187 4.764,1188 3.286,1189 3.169,1190 3.249,1191 3.006,1192 3.02,1193 4.653,1194 3.001,1195 3.111,1196 3.206,1197 2.893,1198 2.941,1199 4.575,1200 2.91,1201 2.99,1202 3.056,1203 2.866,1204 2.789,1205 3.96,1206 2.805,1207 2.944,1208 2.991,1209 2.866,1210 2.597,1211 3.896,1212 2.66,1213 0.158,1214 0.136,1215 0.23,1216 0.144,1217 0.109,1218 4.266,1219 0.144,1220 3.682,1221 0.075,1222 6.202,1223 0.346,1224 3.894,1225 0.103,1226 2.952,1227 3.875,1228 2.028,1229 9.329,1230 2.79,1231 1.909,1232 1.882,1233 2.013,1234 2.04,1235 1.209,1236 2.025,1237 1.802,1238 1.755,1239 1.948,1240 2.002,1241 1.124,1242 1.993,1243 1.609,1244 1.558,1245 1.786,1246 1.85,1247 0.94,1248 1.833,1249 1.377,1250 1.343,1251 1.571,1252 1.622,1253 0.825,1254 1.596,1255 1.195,1256 1.119,1257 1.513,1258 1.403,1259 0.63,1260 1.446,1261 1.153,1262 1.064,1263 1.497,1264 1.376,1265 0.589,1266 1.429,1267 0.919,1268 0.859,1269 1.138,1270 1.182,1271 0.212,1272 1.17,1273 0.777,1274 0.72,1275 1.068,1276 1.143,1277 0.172,1278 1.109,1279 4.007,1281 5.313,1283 6.804,1285 8.377,1287 9.993,1289 1.621,1291 13.273,1295 2.375,1296 5.254,1297 5.284,1300 1.948,1305 27.828,1306 77.263,1307 169.354,1308 206.705,1309 213.46,1310 213.46,1311 213.46,1312 55.42,1313 6.932,1314 87.32,1315 87.32,1316 18,1317 12.202,1318 3.459,1319 3,1320 41.866,1321 96,1322 90,1323 0.211,1324 171.532,1325 312.64,1326 410.299,1327 9241,1328 2.3,1329 17.811,1330 0.712,1331 0.554,1332 16.941,1333 13.842,1334 12.008,1335 0.445,1336 0.296,1337 7.831,1338 11.319,1339 7.677,1340 6.302,1341 11.597,1342 8,1343 11.047,1344 0.299,1345 0.158,1346 10.551,1347 5.839,1348 8.572,1349 0.19,1350 0.086,1351 7.91,1352 3.882,1353 7.093,1354 0.124,1355 0.046,1356 6.994,1357 2.612,1358 5.494,1359 0.08,1360 0.024,1361 5.237,1362 1.667,1363 0.334,1364 76.869,1365 0.237,1366 24.49,1367 0.568,1368 128,1369 493.274,1370 147.825,1371 438.392,1372 573.75,1373 408,1374 146,1375 399.383,1376 164.242,1377 393.176,1378 570.55,1379 369,1380 6.08}
{0 CHEMBL2151926,1 1.925,2 10.88,3 1.524,4 2.323,5 89.452,6 8.947,7 0.222,8 3.847,9 3.955,10 3.548,11 3.325,12 5.045,13 3.35,14 4.389,15 4.543,16 3.928,17 3.69,18 5.641,19 3.698,20 4.643,21 4.836,22 3.997,23 3.796,24 5.922,25 3.783,26 4.563,27 4.779,28 3.857,29 3.726,30 5.813,31 3.671,32 4.519,33 4.725,34 3.747,35 3.65,36 5.754,37 3.617,38 4.466,39 4.65,40 3.797,41 3.559,42 5.902,43 3.549,44 4.412,45 4.627,46 3.594,47 3.446,48 5.783,49 3.413,50 4.257,51 4.48,52 3.525,53 3.292,54 5.515,55 3.286,56 0.184,57 0.679,58 6.041,59 3.387,60 16.701,61 3.852,62 0.526,63 1.036,64 13.95,65 5.708,66 35.847,67 6.709,68 0.925,69 1.182,70 24.174,71 6.893,72 89.365,73 7.968,74 0.726,75 1.071,76 22.015,77 7.364,78 69.213,79 9.673,80 0.717,81 0.953,82 21.866,83 6.533,84 76.986,85 8.318,86 0.802,87 0.904,88 19.015,89 6.232,90 108.979,91 7.5,92 0.854,93 0.821,94 21.249,95 5.623,96 113.549,97 7.143,98 0.666,99 0.726,100 18.225,101 4.712,102 73.4,103 5.81,104 17,105 37,106 0.341,107 0.707,108 0.825,109 0.854,110 0.854,111 0.854,112 3.266,113 0.896,114 -3.69,115 -3.65,116 -3.48,119 39,121 1,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 1,175 5,178 3,180 5,183 2,186 1,192 1,195 2,198 3,199 4,202 3,203 1,204 1,207 4,211 1,212 2,220 1,223 2,224 4,227 2,229 3,232 1,236 1,237 2,240 1,242 1,250 5,255 1,258 2,262 1,263 2,266 1,271 1,275 920,276 16.602,277 16.602,278 16.602,279 16.602,280 16.602,281 15.073,282 23.065,283 9.9,284 17.156,285 13.355,286 13.355,287 13.355,288 13.355,289 13.355,290 10.945,291 29.138,292 4.775,293 14.308,294 3.433,295 1.365,296 0.701,297 0.537,298 0.537,299 0.537,300 3.946,301 1,303 1,304 1,305 1,306 579,307 2.915,311 261.763,318 1.584,319 39.867,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.833,331 272,332 4.266,333 3.682,334 6.202,335 3.893,336 2.952,337 3.875,338 2.028,339 9.329,340 2.781,341 4.22,342 3.517,343 5.958,344 3.771,345 2.842,346 3.634,347 1.408,348 8.381,349 2.635,350 3.793,351 3.296,352 5.553,353 3.501,354 2.551,355 3.03,356 0.993,357 7.508,358 2.401,359 3.572,360 3.122,361 5.309,362 3.293,363 2.336,364 2.746,365 0.86,366 6.747,367 2.222,368 3.423,369 2.788,370 4.901,371 3.012,372 2.032,373 2.589,374 0.849,375 5.686,376 1.943,377 3.195,378 2.389,379 4.522,380 2.708,381 1.745,382 2.322,383 0.25,384 4.65,385 1.674,386 2.888,387 2.287,388 4.335,389 2.601,390 1.662,391 1.948,392 0.129,393 4.191,394 1.534,395 2.82,396 2.112,397 4.039,398 2.319,399 1.414,400 1.873,402 3.521,403 1.217,404 2.213,405 1.554,406 3.49,407 1.952,408 1.069,409 1.153,411 2.607,412 0.946,413 2,414 1.256,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.534,423 0.885,424 3.021,425 1.171,426 0.284,427 0.335,428 0.662,429 0.236,430 1.293,431 0.769,432 2.59,433 0.83,434 -0.112,435 -0.125,436 -0.306,437 -0.095,438 1,439 0.693,440 2.526,441 0.622,442 -0.378,443 -0.481,445 -0.965,446 -0.323,447 0.959,448 0.342,449 2.374,450 0.501,451 -0.41,452 -0.51,454 -1.048,455 -0.381,456 0.632,457 -0.128,458 2.195,459 0.378,460 -0.597,461 -0.74,463 -1.406,464 -0.575,465 11.6,466 0.464,467 0.664,468 0.027,469 29.75,470 1.19,471 12.5,472 0.5,473 17.25,474 0.69,475 19.85,476 0.794,477 28,478 0.683,479 23.113,480 0.925,481 6.279,482 0.251,483 5.729,484 0.229,485 0.144,487 0.336,491 1,493 0.71,494 1.326,495 0.574,496 1.071,497 0.537,498 0.917,499 0.827,500 1.126,501 0.707,502 0.968,503 0.573,504 0.94,505 1.154,506 1.003,507 1.008,508 0.872,509 1.008,510 0.938,511 0.597,512 0.888,513 0.801,514 1.03,515 0.703,516 1.051,517 0.9,518 0.774,519 0.94,520 0.963,521 1.01,522 0.985,523 0.921,524 0.983,525 0.787,526 1.045,527 1.075,528 1.047,529 0.959,530 0.859,531 1.015,532 0.896,533 1.01,534 0.959,535 1.225,536 0.887,537 0.817,538 0.748,539 1.219,540 0.759,541 6,542 0.116,543 2.222,544 1.813,545 1.178,546 0.875,547 0.446,548 0.29,549 0.234,550 0.162,551 7341,552 27336,553 2.038,554 39,556 12,559 2,560 2,564 1.678,565 1.899,566 3.425,567 0.391,568 1,569 1,573 78.905,574 1.925,575 3.992,576 4.656,577 4.821,578 4.821,579 4.821,580 2.869,581 4.484,582 4.618,583 3.564,584 1069.13,585 7.975,586 13238.2,587 1,588 1,590 1,591 219.66,592 1.44,593 4.569,594 0.222,595 0.007,596 0.06,597 0.05,598 0.037,599 0.029,600 0.015,601 0.012,602 0.011,603 0.008,604 0.452,605 0.33,606 1,607 0.609,608 121.769,609 -0.089,610 -0.228,611 0.013,612 -0.094,613 -0.032,614 -0.017,615 -0.032,616 -0.123,617 0.019,618 -0.032,619 0.036,620 -0.031,621 -0.196,622 -0.016,623 -0.099,624 0.047,625 -0.099,626 -0.02,627 0.16,628 0.037,629 0.068,630 -0.077,631 0.073,632 -0.048,633 -0.074,634 0.025,635 -0.057,636 -0.033,637 -0.098,638 -0.009,639 0.057,640 -0.129,641 0.042,642 -0.119,643 0.07,644 -0.099,645 0.018,646 -0.034,647 -0.055,648 0.019,649 0.039,650 0.004,651 -0.17,652 0.018,653 0.117,654 0.171,655 -0.144,656 0.211,657 2.233,658 5.141,659 0.72,660 21.472,661 1.034,662 1.142,663 2.456,664 6.03,665 0.671,666 3.332,667 3.638,668 3.829,669 4.06,670 4.248,671 4.234,672 4.248,673 4.29,674 4.277,675 4.317,676 6.405,677 0.662,678 366.81,679 3.332,680 4.86,681 5.68,682 6.541,683 7.376,684 8.239,685 9.079,686 9.944,687 10.786,688 11.65,689 9.8,692 1,696 2,698 1,704 3,709 3,711 6,730 2,731 41,733 10,734 1,735 27,737 43,738 16,739 6,740 3,741 3,742 4,746 3,747 3,748 1,758 1,761 11,762 5,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 16,782 8,783 2,784 9,785 1,790 4,791 1,794 1,795 3,812 3,826 2,831 1,836 1,839 1,840 3,845 1,846 1,848 25,854 5,855 2,856 1,859 1,869 2,870 7.3,873 2,874 1,877 13.167,878 7.269,879 5.472,880 2.345,881 1.706,882 1.246,883 0.971,884 5.683,885 8.638,886 3.555,887 4.069,888 4.48,889 4.965,890 5.367,891 5.46,892 5.464,893 5.649,894 5.611,895 5.915,896 1,897 36,898 9.286,900 4.019,901 8.171,902 17.02,904 13.655,905 2.671,906 66.778,910 164.795,911 83.279,912 55.931,913 39.149,914 61.29,915 14.96,917 83.279,918 265.234,919 70.891,921 51.952,922 37.905,923 73.027,924 37.616,925 14.96,926 164.795,927 39.149,928 164.795,929 139.211,930 76.25,931 39.149,933 179.756,934 50.29,935 11,937 71.862,938 57.872,939 48.625,941 179.756,942 117.221,943 122.428,946 164.795,947 45.374,948 41.029,949 36.022,950 132.184,951 164.795,952 132.181,953 122.428,955 0.58,956 0.324,957 0.172,958 0.095,959 17,960 8,961 0.093,962 4,964 1,965 3.732,966 197.538,968 18,969 112.096,974 17.862,975 7.954,976 4.784,978 132.181,979 3.881,984 -0.286,986 36.022,987 419.404,988 34,993 23.965,995 1.395,996 4.338,997 0.036,999 42.411,1000 46.812,1001 0.359,1002 0.745,1003 0.869,1004 0.9,1005 0.9,1006 0.9,1007 4.8,1008 1.414,1009 5.659,1010 4.191,1011 4.317,1012 4.754,1013 2.784,1014 6.412,1015 4.189,1016 5.985,1017 1.069,1018 7.183,1019 3.521,1020 3.892,1021 4.559,1022 1.912,1023 7.14,1024 3.69,1025 7.277,1026 1,1027 8.798,1028 2.607,1029 5.861,1030 6.8,1031 3.513,1032 10.2,1033 5.617,1034 8.594,1035 0.284,1036 10.464,1037 2.136,1038 6.176,1039 7.332,1040 3.388,1041 11.695,1042 5.845,1043 9.937,1044 -0.112,1045 12.162,1046 0.662,1047 7.648,1048 9.113,1049 4.59,1050 14.262,1051 7.28,1052 11.298,1053 -0.378,1054 13.882,1055 -0.306,1056 8.326,1057 10.001,1058 4.849,1059 16.113,1060 7.868,1061 12.673,1062 -0.41,1063 15.618,1064 -0.965,1065 9.576,1066 11.576,1067 5.84,1068 18.475,1069 9.076,1070 2.952,1071 -0.597,1072 17.365,1073 -1.048,1074 10.441,1075 12.655,1076 6.297,1077 20.505,1078 9.855,1079 2.842,1080 9.329,1081 19.123,1082 -1.406,1083 11.586,1084 14.127,1085 7.17,1086 22.777,1087 10.952,1088 2.551,1089 8.381,1090 20.888,1091 3.875,1092 12.547,1093 15.314,1094 7.733,1095 24.898,1096 11.833,1097 2.336,1098 7.508,1099 22.66,1100 3.634,1101 13.645,1102 16.728,1103 8.539,1104 27.133,1105 12.877,1106 2.032,1107 6.747,1108 24.437,1109 3.03,1110 14.656,1111 17.977,1112 9.162,1113 29.3,1114 13.814,1115 1.745,1116 5.686,1117 26.219,1118 2.746,1119 15.733,1120 19.361,1121 9.928,1122 31.521,1123 14.834,1124 1.662,1125 4.65,1126 28.004,1127 2.589,1128 16.769,1129 20.646,1130 10.586,1131 33.713,1132 15.801,1133 7135,1134 13919,1135 17.8,1136 27.512,1137 40.212,1138 42.206,1139 40.858,1140 39.808,1141 39.776,1142 49.012,1143 13.034,1144 110.838,1145 37.046,1146 5.266,1147 5.682,1148 6.004,1149 4.996,1150 4.952,1151 6.875,1152 3.592,1153 15.605,1154 4.781,1155 12.754,1156 1.489,1157 1.563,1158 1.513,1159 1.474,1160 1.473,1161 1.815,1162 0.483,1163 4.105,1164 1.372,1165 3.953,1166 3.991,1167 4.025,1168 3.85,1169 8.201,1170 3.853,1171 3.879,1172 3.916,1173 3.856,1174 3.706,1175 7.432,1176 3.733,1177 3.68,1178 3.73,1179 3.587,1180 3.462,1181 7.427,1182 3.481,1183 3.463,1184 3.489,1185 3.457,1186 3.252,1187 4.867,1188 3.279,1189 3.111,1190 3.206,1191 3.254,1192 2.941,1193 4.757,1194 2.91,1195 3.018,1196 3.076,1197 2.931,1198 2.834,1199 4.575,1200 2.844,1201 2.944,1202 2.992,1203 2.871,1204 2.775,1205 4.357,1206 2.759,1207 2.877,1208 2.921,1209 2.866,1210 2.596,1211 3.923,1212 2.66,1213 0.158,1214 0.136,1215 0.23,1216 0.144,1217 0.109,1218 4.266,1219 0.144,1220 3.682,1221 0.075,1222 6.202,1223 0.346,1224 3.893,1225 0.103,1226 2.952,1227 3.875,1228 2.028,1229 9.329,1230 2.781,1231 1.878,1232 1.856,1233 1.959,1234 2.034,1235 1.209,1236 2.012,1237 1.799,1238 1.753,1239 1.937,1240 1.975,1241 1.055,1242 1.969,1243 1.607,1244 1.556,1245 1.779,1246 1.844,1247 0.93,1248 1.828,1249 1.363,1250 1.334,1251 1.523,1252 1.601,1253 0.825,1254 1.571,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.613,1260 1.429,1261 0.924,1262 0.87,1263 1.142,1264 1.19,1265 0.212,1266 1.174,1267 0.866,1268 0.824,1269 1.074,1270 1.146,1271 0.184,1272 1.109,1273 0.775,1274 0.72,1275 1.018,1276 1.01,1277 0.086,1278 1.049,1279 4.007,1281 5.313,1283 6.804,1285 8.377,1287 9.993,1290 5.683,1291 13.141,1295 2.278,1296 5.144,1297 5.274,1300 1.93,1305 27.128,1306 78.905,1307 163.685,1308 190.905,1309 197.66,1310 197.66,1311 197.66,1312 57.41,1313 6.932,1314 87.32,1315 87.32,1316 18,1317 12.202,1318 3.459,1319 3,1320 41.866,1321 96,1322 90,1323 0.211,1324 170.273,1325 310.55,1326 407.226,1327 9241,1328 4.9,1329 17.811,1330 0.712,1331 0.559,1332 17.441,1333 13.976,1334 12.008,1335 0.445,1336 0.299,1337 7.55,1338 11.033,1339 7.432,1340 6.05,1341 11.886,1342 8.067,1343 11.047,1344 0.299,1345 0.16,1346 10.959,1347 5.911,1348 8.572,1349 0.19,1350 0.087,1351 8.172,1352 3.933,1353 7.093,1354 0.124,1355 0.046,1356 7.262,1357 2.644,1358 5.494,1359 0.08,1360 0.024,1361 5.403,1362 1.684,1363 0.334,1364 80.044,1365 0.237,1366 24.49,1367 0.568,1368 128,1369 519.477,1370 163.344,1371 491.775,1372 632.67,1373 456,1374 146,1375 416.246,1376 177.088,1377 418.303,1378 609.31,1379 393,1380 5.721}
{0 CHEMBL2151927,1 1.799,2 11,3 0.843,4 0.711,5 91.11,6 8.053,7 0.214,8 3.933,9 4.044,10 3.547,11 3.354,12 5.12,13 3.389,14 4.478,15 4.643,16 3.89,17 3.699,18 5.691,19 3.723,20 4.691,21 4.882,22 3.926,23 3.818,24 5.934,25 3.821,26 4.665,27 4.876,28 3.868,29 3.805,30 5.907,31 3.762,32 4.677,33 4.895,34 3.777,35 3.742,36 5.892,37 3.713,38 4.593,39 4.794,40 3.75,41 3.639,42 5.952,43 3.618,44 4.534,45 4.762,46 3.614,47 3.511,48 5.86,49 3.488,50 4.384,51 4.603,52 3.464,53 3.379,54 5.627,55 3.369,56 0.173,57 0.728,58 8.247,59 3.712,60 13.88,61 4.591,62 0.588,63 1.096,64 17.695,65 5.903,66 39.593,67 7.577,68 0.911,69 1.283,70 23.669,71 6.632,72 79.486,73 8.77,74 0.727,75 1.242,76 22.988,77 7.918,78 64.656,79 10.739,80 0.83,81 1.151,82 24.718,83 7.116,84 89.231,85 9.738,86 0.845,87 1.011,88 22.116,89 6.527,90 103.576,91 8.956,92 0.884,93 0.906,94 22.433,95 5.759,96 112.335,97 8.288,98 0.725,99 0.811,100 19.335,101 5.035,102 81.575,103 6.735,104 18,105 38,106 0.313,107 0.681,108 0.825,109 0.851,110 0.851,111 0.851,112 3.304,113 0.869,114 -2.94,115 -2.94,116 -2.84,119 37.8,121 1,124 1,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 1,175 6,178 3,180 5,183 1,186 1,187 1,192 1,195 1,198 3,199 5,202 4,203 1,207 3,211 1,212 2,220 1,223 3,224 4,227 2,229 3,236 1,237 2,240 1,242 1,249 1,250 4,253 1,258 2,262 1,263 2,266 1,271 1,275 1004,276 17.472,277 17.472,278 17.472,279 17.472,280 17.472,281 15.996,282 25.578,283 10.422,284 18.083,285 13.793,286 13.793,287 13.793,288 13.793,289 13.793,290 11.372,291 32.911,292 4.926,293 14.675,294 3.693,295 1.575,296 0.745,297 0.595,298 0.595,299 0.595,300 3.985,304 1,305 1,306 606,307 3.082,311 274.308,318 1.615,319 40.461,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 59.5,331 286,332 4.269,333 3.682,334 6.202,335 3.894,336 2.953,337 3.896,338 2.028,339 9.329,340 2.786,341 4.241,342 3.516,343 6.073,344 3.822,345 2.876,346 3.634,347 1.408,348 8.785,349 2.715,350 3.798,351 3.239,352 5.558,353 3.515,354 2.558,355 3.037,356 0.993,357 7.544,358 2.444,359 3.577,360 3.122,361 5.32,362 3.305,363 2.346,364 2.752,365 0.86,366 6.822,367 2.239,368 3.427,369 2.788,370 4.902,371 3.027,372 2.039,373 2.59,374 0.86,375 5.696,376 1.987,377 3.198,378 2.389,379 4.522,380 2.712,381 1.746,382 2.325,383 0.849,384 4.653,385 1.682,386 2.888,387 2.287,388 4.335,389 2.602,390 1.664,391 2.02,392 0.25,393 4.191,394 1.535,395 2.882,396 2.143,397 4.204,398 2.454,399 1.53,400 1.873,401 0.129,402 3.835,403 1.402,404 2.213,405 1.554,406 3.49,407 1.952,408 1.069,409 1.153,411 2.607,412 0.946,413 2,414 1.256,415 3.247,416 1.95,417 1,418 1,420 2.136,421 0.934,422 1.749,423 0.945,424 3.025,425 1.425,426 0.545,427 0.634,428 0.968,429 0.473,430 1.354,431 0.865,432 2.855,433 1.067,434 0.15,435 0.169,436 0.328,437 0.136,438 1.283,439 0.735,440 2.579,441 0.794,442 -0.186,443 -0.215,445 -0.468,446 -0.176,447 1,448 0.667,449 2.511,450 0.619,451 -0.391,452 -0.501,454 -1.001,455 -0.379,456 0.733,457 0.188,458 2.226,459 0.387,460 -0.55,461 -0.652,463 -1.303,464 -0.509,465 11.719,466 0.451,467 0.626,468 0.024,469 31,470 1.192,471 13,472 0.5,473 18,474 0.692,475 20.296,476 0.781,477 29.681,478 0.66,479 25.044,480 0.963,481 6.691,482 0.257,483 5.855,484 0.225,485 0.124,487 0.333,491 1,493 0.755,494 1.394,495 0.7,496 1.277,497 0.549,498 1.021,499 0.952,500 1.087,501 0.85,502 0.997,503 0.606,504 0.915,505 1.146,506 1.031,507 1.107,508 0.904,509 1.044,510 0.955,511 0.64,512 1.023,513 0.886,514 1.144,515 0.759,516 1.113,517 1.053,518 0.92,519 1.051,520 0.986,521 1.217,522 1.002,523 0.874,524 0.977,525 0.994,526 1.097,527 1.05,528 1.088,529 0.931,530 0.849,531 0.947,532 0.866,533 1.003,534 0.894,535 1.287,536 0.893,537 1.078,538 0.813,539 1.456,540 0.864,541 6,542 0.14,543 2.222,544 1.938,545 1.218,546 0.938,547 0.487,548 0.29,549 0.234,550 0.162,551 8126,552 27435,553 2.037,554 42.2,556 15,559 2,560 2,564 1.689,565 1.902,566 3.453,567 0.365,569 1,573 80.936,574 1.799,575 3.917,576 4.747,577 4.897,578 4.897,579 4.897,580 2.888,581 4.162,582 4.675,583 3.606,584 1171.92,585 8.09,586 14998.3,588 1,591 247.133,592 1.42,593 4.628,594 0.214,595 0.007,596 0.058,597 0.051,598 0.035,599 0.029,600 0.016,601 0.011,602 0.01,603 0.007,604 0.44,605 0.33,606 1,607 0.777,608 128.499,609 -0.085,610 -0.264,611 0.041,612 -0.157,613 -0.035,614 -0.039,615 -0.069,616 -0.088,617 0.031,618 0.004,619 0.024,620 0.031,621 -0.167,622 -0.001,623 -0.17,624 0.045,625 -0.107,626 -0.032,627 0.144,628 -0.013,629 0.035,630 -0.134,631 0.069,632 -0.107,633 -0.117,634 0.038,635 -0.078,636 -0.02,637 -0.14,638 -0.027,639 0.065,640 -0.108,641 -0.034,642 -0.143,643 0.064,644 -0.126,645 0.04,646 -0.029,647 0.066,648 0.047,649 0.076,650 0.068,651 -0.188,652 0.016,653 -0.051,654 0.114,655 -0.21,656 0.084,657 2.185,658 5.419,659 0.692,660 23.124,661 1.029,662 1.144,663 1.707,664 2.915,665 0.642,666 3.367,667 3.664,668 3.871,669 4.111,670 4.29,671 4.277,672 4.317,673 4.331,674 4.331,675 4.357,676 6.603,677 0.634,678 362.4,679 3.367,680 4.89,681 5.714,682 6.575,683 7.413,684 8.277,685 9.12,686 9.985,687 10.83,688 11.695,689 8.9,692 1,696 2,698 1,704 3,709 3,711 6,729 1,730 1,731 45,733 10,734 1,735 28,737 47,738 17,739 6,740 3,741 3,742 4,746 3,747 3,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 19,782 9,783 2,784 9,790 4,791 1,794 1,795 4,812 3,826 2,831 1,836 1,839 1,840 3,844 1,846 1,848 26,854 5,855 2,856 2,859 1,869 1,870 8.9,873 2,874 1,875 1,877 13.667,878 8.293,879 5.806,880 2.518,881 1.729,882 1.246,883 0.956,884 5.986,885 8.749,886 3.584,887 4.086,888 4.514,889 5.006,890 5.408,891 5.511,892 5.572,893 5.701,894 5.688,895 5.946,896 1,897 38,898 9.663,900 4.128,901 8.122,902 17.768,904 14.065,905 2.622,906 68.167,910 200.109,911 95.905,912 55.931,914 72.29,915 14.96,917 95.905,918 272.398,919 70.891,920 10.883,921 51.952,922 37.905,923 73.027,924 50.359,925 14.96,926 200.109,928 200.109,929 151.836,930 87.25,933 215.069,934 61.29,935 11,937 71.862,938 70.498,939 9.476,941 215.069,942 128.221,943 95.905,946 200.109,947 47.117,948 51.912,949 36.022,950 104.035,951 200.109,952 143.181,953 95.905,955 0.574,956 0.328,957 0.18,958 0.097,959 17,960 8,961 0.106,962 5,964 1,965 3.812,966 208.278,968 18,969 118.211,974 18.516,975 8.405,976 4.891,978 143.181,979 4.011,984 -0.099,986 36.022,987 439.195,988 35,993 24.095,995 1.4,996 4.356,997 0.058,999 46.298,1000 51.492,1001 0.327,1002 0.713,1003 0.864,1004 0.892,1005 0.892,1006 0.892,1007 4.824,1008 1.53,1009 5.687,1010 4.191,1011 4.344,1012 4.771,1013 2.871,1014 6.444,1015 4.232,1016 6.002,1017 1.069,1018 7.212,1019 3.835,1020 3.892,1021 4.559,1022 1.912,1023 7.195,1024 3.748,1025 7.293,1026 1,1027 8.829,1028 2.607,1029 5.889,1030 6.816,1031 3.545,1032 10.255,1033 5.674,1034 8.61,1035 0.545,1036 10.498,1037 2.136,1038 6.196,1039 7.347,1040 3.388,1041 11.783,1042 5.934,1043 9.954,1044 0.15,1045 12.201,1046 0.968,1047 7.68,1048 9.132,1049 4.598,1050 14.345,1051 7.358,1052 11.317,1053 -0.186,1054 13.926,1055 0.328,1056 8.36,1057 10.024,1058 4.849,1059 16.226,1060 7.979,1061 12.694,1062 -0.391,1063 15.667,1064 -0.468,1065 9.614,1066 11.6,1067 5.841,1068 18.585,1069 9.179,1070 2.953,1071 -0.55,1072 17.422,1073 -1.001,1074 10.484,1075 12.687,1076 6.297,1077 20.636,1078 9.986,1079 2.876,1080 9.329,1081 19.186,1082 -1.303,1083 11.633,1084 14.159,1085 7.17,1086 22.908,1087 11.08,1088 2.558,1089 8.785,1090 20.958,1091 3.896,1092 12.599,1093 15.354,1094 7.733,1095 25.042,1096 11.983,1097 2.346,1098 7.544,1099 22.736,1100 3.634,1101 13.7,1102 16.77,1103 8.539,1104 27.278,1105 13.028,1106 2.039,1107 6.822,1108 24.52,1109 3.037,1110 14.715,1111 18.027,1112 9.162,1113 29.452,1114 13.981,1115 1.746,1116 5.696,1117 26.308,1118 2.752,1119 15.795,1120 19.412,1121 9.928,1122 31.674,1123 15.004,1124 1.664,1125 4.653,1126 28.1,1127 2.59,1128 16.836,1129 20.705,1130 10.586,1131 33.869,1132 15.983,1133 7923,1134 14683,1135 18.493,1136 28.87,1137 41.262,1138 43.167,1139 42.322,1140 40.822,1141 40.948,1142 50.167,1143 14.754,1144 113.789,1145 38.556,1146 5.269,1147 5.682,1148 6.004,1149 4.998,1150 4.953,1151 6.896,1152 3.592,1153 15.606,1154 4.786,1155 13.152,1156 1.474,1157 1.542,1158 1.512,1159 1.458,1160 1.462,1161 1.792,1162 0.527,1163 4.064,1164 1.377,1165 3.958,1166 3.995,1167 3.913,1168 3.836,1169 8.201,1170 3.848,1171 3.881,1172 3.919,1173 3.834,1174 3.705,1175 7.432,1176 3.732,1177 3.681,1178 3.73,1179 3.577,1180 3.462,1181 7.427,1182 3.481,1183 3.469,1184 3.497,1185 3.408,1186 3.251,1187 4.801,1188 3.28,1189 3.243,1190 3.308,1191 3.07,1192 2.97,1193 4.75,1194 2.982,1195 3.111,1196 3.206,1197 2.929,1198 2.941,1199 4.575,1200 2.91,1201 3.001,1202 3.066,1203 2.871,1204 2.792,1205 4.391,1206 2.811,1207 2.944,1208 2.991,1209 2.866,1210 2.619,1211 3.924,1212 2.66,1213 0.152,1214 0.132,1215 0.222,1216 0.139,1217 0.105,1218 4.269,1219 0.139,1220 3.682,1221 0.072,1222 6.202,1223 0.333,1224 3.894,1225 0.099,1226 2.953,1227 3.896,1228 2.028,1229 9.329,1230 2.786,1231 1.878,1232 1.856,1233 1.969,1234 2.037,1235 1.209,1236 2.014,1237 1.8,1238 1.753,1239 1.944,1240 1.992,1241 1.059,1242 1.978,1243 1.607,1244 1.557,1245 1.782,1246 1.848,1247 0.93,1248 1.83,1249 1.367,1250 1.337,1251 1.576,1252 1.62,1253 0.825,1254 1.59,1255 1.193,1256 1.121,1257 1.519,1258 1.496,1259 0.614,1260 1.513,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.573,1266 1.429,1267 0.92,1268 0.861,1269 1.142,1270 1.187,1271 0.212,1272 1.172,1273 0.79,1274 0.724,1275 1.073,1276 1.145,1277 0.182,1278 1.109,1279 4.043,1281 5.342,1283 6.832,1285 8.408,1287 10.026,1289 1.343,1291 13.419,1295 2.287,1296 5.195,1297 10.166,1300 1.935,1305 28.543,1306 80.936,1307 176.273,1308 213.624,1309 220.379,1310 220.379,1311 220.379,1312 59.072,1313 7.019,1314 96.55,1315 96.55,1316 18,1317 12.246,1318 3.459,1319 3,1320 44.441,1321 104,1322 90,1323 0.208,1324 175.529,1325 321.43,1326 420.05,1327 10366,1328 2.2,1329 18.518,1330 0.712,1331 0.548,1332 17.648,1333 14.25,1334 12.546,1335 0.448,1336 0.29,1337 7.902,1338 11.705,1339 7.774,1340 6.376,1341 12.135,1342 8.113,1343 11.238,1344 0.296,1345 0.151,1346 10.72,1347 5.724,1348 8.86,1349 0.189,1350 0.082,1351 8.334,1352 3.875,1353 7.516,1354 0.125,1355 0.044,1356 7.207,1357 2.627,1358 5.756,1359 0.08,1360 0.023,1361 5.52,1362 1.69,1363 0.33,1364 81.212,1365 0.233,1366 25.325,1367 0.559,1368 132,1369 541.009,1370 154.704,1371 475.959,1372 621.65,1373 444,1374 151,1375 429.929,1376 172.426,1377 422.253,1378 613.28,1379 395,1380 5.461}
{0 CHEMBL2151928,1 1.823,2 11.75,3 0.715,4 0.511,5 96.174,6 8.307,7 0.2,8 3.977,9 4.082,10 3.612,11 3.404,12 5.202,13 3.445,14 4.52,15 4.675,16 3.964,17 3.753,18 5.804,19 3.782,20 4.728,21 4.912,22 4.01,23 3.877,24 5.999,25 3.893,26 4.748,27 4.941,28 4.013,29 3.853,30 6.189,31 3.842,32 4.694,33 4.888,34 3.918,35 3.803,36 5.993,37 3.795,38 4.696,39 4.892,40 3.836,41 3.725,42 6.07,43 3.717,44 4.6,45 4.813,46 3.739,47 3.593,48 6.061,49 3.578,50 4.478,51 4.706,52 3.56,53 3.455,54 5.708,55 3.457,56 0.218,57 0.756,58 7.973,59 3.897,60 19.586,61 4.584,62 0.728,63 1.143,64 17.707,65 6.207,66 54.181,67 7.665,68 0.874,69 1.375,70 23.267,71 7.095,72 83.191,73 8.871,74 1.112,75 1.296,76 24.919,77 8.206,78 133.007,79 10.59,80 0.863,81 1.196,82 23.183,83 7.326,84 86.71,85 9.723,86 1.038,87 1.162,88 24.635,89 7.441,90 140.696,91 9.336,92 1.081,93 0.99,94 22.959,95 6.101,96 151.385,97 8.575,98 0.82,99 0.881,100 21.724,101 5.578,102 96.531,103 7.438,104 28,105 41,106 0.313,107 0.684,108 0.83,109 0.855,110 0.855,111 0.855,112 3.374,113 0.857,114 -3.17,115 -3.16,116 -3.04,119 38.3,121 1,124 1,125 4,135 1,139 1,142 3,143 1,144 2,158 4,172 2,174 2,175 7,178 3,180 5,183 2,186 1,187 2,192 2,195 2,198 3,199 6,202 3,203 1,207 3,211 1,212 5,215 2,220 2,223 2,224 3,227 2,229 3,236 3,237 5,240 1,242 2,250 4,258 2,262 3,263 4,266 3,271 2,275 1214,276 18.679,277 18.679,278 18.679,279 18.679,280 18.679,281 17.111,282 25.772,283 11.085,284 19.273,285 14.76,286 14.76,287 14.76,288 14.76,289 14.76,290 12.131,291 30.162,292 5.23,293 15.566,294 3.731,295 1.566,296 0.713,297 0.569,298 0.569,299 0.569,300 4.054,304 1,305 1,306 693,307 3.536,311 299.851,318 1.714,319 49.248,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 64.5,331 329,332 4.363,333 3.701,334 6.411,335 3.978,336 3.001,337 4.004,338 2.028,339 9.752,340 2.922,341 4.261,342 3.674,343 6.202,344 3.888,345 2.948,346 3.635,347 1.674,348 9.329,349 2.776,350 3.834,351 3.515,352 5.569,353 3.549,354 2.581,355 3.103,356 1.408,357 7.594,358 2.494,359 3.62,360 3.122,361 5.353,362 3.34,363 2.383,364 2.82,365 0.993,366 6.954,367 2.267,368 3.475,369 2.934,370 4.93,371 3.104,372 2.101,373 2.612,374 0.86,375 5.745,376 2.09,377 3.323,378 2.786,379 4.842,380 2.872,381 1.925,382 2.507,383 0.849,384 5.141,385 1.799,386 3.173,387 2.389,388 4.522,389 2.7,390 1.743,391 2.307,392 0.25,393 4.642,394 1.657,395 2.888,396 2.287,397 4.335,398 2.6,399 1.659,400 1.873,401 0.129,402 4.191,403 1.534,404 2.578,405 1.554,406 3.82,407 2.096,408 1.127,409 1.571,411 2.767,412 1.081,413 2.213,414 1.462,415 3.49,416 1.952,417 1.069,418 1.153,420 2.607,421 0.946,422 2,423 1.393,424 3.247,425 1.95,426 1,427 1,428 2.136,429 0.934,430 1.515,431 1.256,432 3.021,433 1.208,434 0.311,435 0.355,436 0.613,437 0.273,438 1.434,439 0.879,440 2.65,441 1.063,442 0.119,443 0.141,445 0.207,446 0.11,447 1.291,448 0.75,449 2.57,450 0.808,451 -0.181,452 -0.214,454 -0.476,455 -0.174,456 1,457 0.68,458 2.504,459 0.619,460 -0.391,461 -0.501,463 -1.002,464 -0.379,465 12.552,466 0.448,467 0.715,468 0.026,469 33.25,470 1.188,471 14,472 0.5,473 19.25,474 0.688,475 22.253,476 0.795,477 31.848,478 0.678,479 28.773,480 1.028,481 7.223,482 0.258,483 6.234,484 0.223,485 0.142,487 0.351,491 1,493 0.737,494 1.378,495 0.676,496 1.263,497 0.546,498 1.004,499 0.86,500 1.058,501 0.821,502 0.963,503 0.576,504 0.898,505 1.127,506 1.111,507 1.064,508 0.968,509 1.007,510 0.965,511 0.75,512 0.977,513 0.904,514 1.051,515 0.896,516 1.042,517 0.862,518 0.924,519 0.959,520 1.061,521 0.972,522 1.045,523 1.143,524 1.083,525 1.115,526 1.081,527 1.261,528 1.09,529 0.784,530 0.878,531 0.972,532 0.929,533 0.841,534 0.982,535 1.24,536 0.891,537 0.979,538 0.76,539 1.191,540 0.764,541 6.5,542 0.174,543 2.667,544 2.188,545 1.418,546 1.028,547 0.608,548 0.321,549 0.283,550 0.162,551 9820,552 35170,553 2.013,554 40.4,556 15,559 2,560 2,564 1.709,565 1.867,566 3.526,567 0.353,569 1,573 85.687,574 1.823,575 3.988,576 4.842,577 4.985,578 4.985,579 4.985,580 2.924,581 4.164,582 4.782,583 3.683,584 1392.19,585 8.306,586 18880,588 1,591 261.066,592 1.47,593 4.727,594 0.217,595 0.008,596 0.065,597 0.052,598 0.035,599 0.028,600 0.018,601 0.011,602 0.011,603 0.006,604 0.451,605 0.33,606 1,607 0.959,608 142.027,609 -0.087,610 -0.251,611 0.035,612 -0.149,613 -0.035,614 -0.037,615 -0.008,616 -0.054,617 0.043,618 0.041,619 0.049,620 0.048,621 -0.228,622 -0.068,623 -0.151,624 -0.005,625 -0.126,626 -0.029,627 0.172,628 0.057,629 0.048,630 -0.057,631 0.111,632 -0.059,633 -0.023,634 -0.023,635 -0.029,636 -0.088,637 -0.066,638 -0.067,639 -0.104,640 -0.084,641 -0.122,642 -0.105,643 -0.086,644 -0.12,645 0.145,646 -0.026,647 0.028,648 -0.015,649 0.165,650 -0.02,651 -0.224,652 -0.017,653 0.071,654 0.169,655 -0.155,656 0.222,657 2.516,658 5.68,659 0.643,660 25.98,661 1.035,662 1.143,663 1.938,664 3.755,665 0.645,666 3.434,667 3.738,668 3.951,669 4.19,670 4.369,671 4.357,672 4.419,673 4.431,674 4.419,675 4.443,676 6.964,677 0.644,678 390.41,679 3.434,680 4.963,681 5.79,682 6.655,683 7.498,684 8.367,685 9.216,686 10.085,687 10.936,688 11.805,689 8.5,692 1,696 2,698 1,704 3,709 3,711 6,721 1,730 1,731 47,733 11,734 1,735 30,737 49,738 18,739 6,740 3,741 3,742 5,746 3,747 3,758 1,761 12,762 6,766 5,771 3,773 1,774 1,775 5,778 1,779 1,781 19,782 10,783 2,784 10,790 4,791 1,794 1,795 5,812 3,826 2,831 1,836 1,839 1,840 3,844 1,846 1,848 28,854 5,855 2,856 2,859 1,869 1,870 10.6,873 3,874 1,875 1,877 15,878 8.71,879 6.25,880 2.622,881 1.846,882 1.257,883 0.95,884 6.52,885 9.022,886 3.664,887 4.167,888 4.608,889 5.102,890 5.51,891 5.639,892 5.797,893 5.874,894 5.87,895 6.059,896 0.875,897 42,898 10.442,900 4.52,901 8.244,902 18.921,904 14.958,905 2.744,906 76.833,910 200.109,911 101.039,912 55.931,914 97.435,915 14.96,917 101.039,918 297.543,919 70.891,920 10.883,921 51.952,922 37.905,923 105.363,924 48.301,925 14.96,926 200.109,928 200.109,929 156.97,930 112.395,933 215.069,934 86.435,935 11,937 71.862,938 75.632,939 9.476,941 215.069,942 153.366,943 101.039,946 200.109,947 52.251,948 51.912,949 36.022,950 129.18,951 200.109,952 168.326,953 101.039,955 0.576,956 0.331,957 0.18,958 0.098,959 18,960 9,961 0.122,962 6,964 1,965 3.941,966 231.353,968 18,969 130.606,974 20.145,975 9.062,976 5.237,978 168.326,979 3.556,984 -0.825,986 36.022,987 469.473,988 38,993 35.756,995 1.37,996 4.332,997 -1.025,999 48.625,1000 53.702,1001 0.328,1002 0.718,1003 0.872,1004 0.898,1005 0.898,1006 0.898,1007 4.909,1008 1.659,1009 5.771,1010 4.642,1011 4.419,1012 4.852,1013 3.081,1014 6.544,1015 4.325,1016 6.094,1017 1.127,1018 7.309,1019 4.191,1020 4.007,1021 4.677,1022 1.912,1023 7.345,1024 3.9,1025 7.39,1026 1.069,1027 8.94,1028 2.767,1029 5.979,1030 6.906,1031 3.897,1032 10.417,1033 5.805,1034 8.714,1035 1,1036 10.626,1037 2.607,1038 6.33,1039 7.482,1040 3.388,1041 12.014,1042 6.136,1043 10.066,1044 0.311,1045 12.347,1046 2.136,1047 7.795,1048 9.242,1049 4.96,1050 14.597,1051 7.545,1052 11.436,1053 0.119,1054 14.092,1055 0.613,1056 8.514,1057 10.182,1058 4.849,1059 16.551,1060 8.237,1061 12.822,1062 -0.181,1063 15.855,1064 0.207,1065 9.763,1066 11.744,1067 6.147,1068 18.94,1069 9.436,1070 3.001,1071 -0.391,1072 17.633,1073 -0.476,1074 10.667,1075 12.877,1076 6.297,1077 21.061,1078 10.308,1079 2.948,1080 9.752,1081 19.422,1082 -1.002,1083 11.819,1084 14.345,1085 7.406,1086 23.371,1087 11.417,1088 2.581,1089 9.329,1090 21.221,1091 4.004,1092 12.814,1093 15.583,1094 7.733,1095 25.568,1096 12.378,1097 2.383,1098 7.594,1099 23.027,1100 3.635,1101 13.925,1102 17.005,1103 8.713,1104 27.846,1105 13.448,1106 2.101,1107 6.954,1108 24.84,1109 3.103,1110 14.966,1111 18.301,1112 9.162,1113 30.078,1114 14.454,1115 1.925,1116 5.745,1117 26.658,1118 2.82,1119 16.061,1120 19.699,1121 10.053,1122 32.345,1123 15.511,1124 1.743,1125 5.141,1126 28.48,1127 2.612,1128 17.125,1129 21.029,1130 10.586,1131 34.593,1132 16.539,1133 9625,1134 18355,1135 19.592,1136 30.324,1137 44.468,1138 47.153,1139 45.884,1140 43.812,1141 43.934,1142 54.161,1143 16.383,1144 123.353,1145 41.767,1146 5.363,1147 5.701,1148 6.213,1149 5.081,1150 5.001,1151 7.004,1152 3.702,1153 16.224,1154 4.922,1155 15.46,1156 1.482,1157 1.572,1158 1.529,1159 1.46,1160 1.464,1161 1.805,1162 0.546,1163 4.112,1164 1.392,1165 3.972,1166 4.003,1167 3.933,1168 3.864,1169 8.201,1170 3.875,1171 3.889,1172 3.929,1173 3.842,1174 3.707,1175 7.435,1176 3.735,1177 3.683,1178 3.732,1179 3.58,1180 3.463,1181 7.429,1182 3.483,1183 3.491,1184 3.514,1185 3.432,1186 3.261,1187 7.427,1188 3.293,1189 3.373,1190 3.4,1191 3.284,1192 3.103,1193 4.763,1194 3.141,1195 3.111,1196 3.206,1197 2.945,1198 2.941,1199 4.641,1200 2.91,1201 3.024,1202 3.087,1203 2.872,1204 2.804,1205 4.575,1206 2.822,1207 2.958,1208 3.019,1209 2.866,1210 2.77,1211 4.465,1212 2.757,1213 0.145,1214 0.123,1215 0.214,1216 0.133,1217 0.1,1218 4.363,1219 0.133,1220 3.701,1221 0.068,1222 6.411,1223 0.325,1224 3.978,1225 0.097,1226 3.001,1227 4.004,1228 2.028,1229 9.752,1230 2.922,1231 1.901,1232 1.881,1233 1.981,1234 2.039,1235 1.209,1236 2.018,1237 1.801,1238 1.755,1239 1.946,1240 2.001,1241 1.083,1242 1.986,1243 1.609,1244 1.558,1245 1.783,1246 1.85,1247 0.934,1248 1.832,1249 1.376,1250 1.348,1251 1.597,1252 1.647,1253 0.825,1254 1.614,1255 1.265,1256 1.228,1257 1.524,1258 1.562,1259 0.614,1260 1.551,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.581,1266 1.429,1267 0.971,1268 0.909,1269 1.184,1270 1.218,1271 0.228,1272 1.205,1273 0.916,1274 0.856,1275 1.126,1276 1.167,1277 0.212,1278 1.159,1279 4.111,1281 5.416,1283 6.911,1285 8.491,1287 10.117,1289 1.135,1291 13.68,1295 2.092,1296 5.078,1297 9.778,1300 1.906,1305 30.257,1306 85.687,1307 187.45,1308 227.556,1309 234.311,1310 234.311,1311 234.311,1312 74.926,1313 7.175,1314 113.62,1315 113.62,1316 18,1317 12.352,1318 3.585,1319 3.17,1320 49.799,1321 119,1322 104,1323 0.204,1324 186.19,1325 344.88,1326 446.063,1327 12714,1328 2.1,1329 20.096,1330 0.718,1331 0.541,1332 19.225,1333 15.159,1334 13.457,1335 0.449,1336 0.286,1337 8.342,1338 12.548,1339 8.212,1340 6.734,1341 13.046,1342 8.567,1343 12.119,1344 0.296,1345 0.148,1346 11.591,1347 6.061,1348 9.606,1349 0.188,1350 0.08,1351 9.137,1352 4.096,1353 7.978,1354 0.123,1355 0.042,1356 7.617,1357 2.759,1358 6.184,1359 0.079,1360 0.023,1361 5.841,1362 1.78,1363 0.325,1364 87.253,1365 0.226,1366 26.951,1367 0.547,1368 142,1369 604.745,1370 167.028,1371 533.897,1372 691.89,1373 496,1374 163,1375 473.565,1376 185.893,1377 465.811,1378 677.79,1379 435,1380 5.089}
{0 CHEMBL2151929,1 1.91,2 11.111,3 0.754,4 0.569,5 91.972,6 8.776,7 0.207,8 3.908,9 4.015,10 3.585,11 3.324,12 5.192,13 3.376,14 4.44,15 4.586,16 3.945,17 3.687,18 5.847,19 3.729,20 4.688,21 4.879,22 3.974,23 3.799,24 5.985,25 3.825,26 4.675,27 4.875,28 3.972,29 3.755,30 6.215,31 3.756,32 4.602,33 4.801,34 3.836,35 3.669,36 5.953,37 3.679,38 4.547,39 4.729,40 3.773,41 3.579,42 5.99,43 3.594,44 4.481,45 4.682,46 3.702,47 3.454,48 6.078,49 3.475,50 4.357,51 4.573,52 3.494,53 3.322,54 5.663,55 3.347,56 0.302,57 0.728,58 6.446,59 3.298,60 26.805,61 3.832,62 0.71,63 1.095,64 14.144,65 5.487,66 78.215,67 6.617,68 1.031,69 1.295,70 21.609,71 6.202,72 105.651,73 7.784,74 1.141,75 1.18,76 22.313,77 7.323,78 161.939,79 9.548,80 0.955,81 1.003,82 20.896,83 6.025,84 111.305,85 8.093,86 1.009,87 0.937,88 19.67,89 6.019,90 148.252,91 7.545,92 1.103,93 0.852,94 19.63,95 5.007,96 178.136,97 6.844,98 0.883,99 0.772,100 18.632,101 4.691,102 118.026,103 5.89,104 27,105 40,106 0.332,107 0.701,108 0.819,109 0.846,110 0.846,111 0.846,112 3.339,113 0.837,114 -3.33,115 -3.31,116 -3.17,119 37.2,121 1,125 4,135 1,139 1,142 3,144 3,158 3,166 2,172 1,174 2,175 6,178 3,180 5,183 1,186 1,187 3,192 1,195 1,198 3,199 7,202 4,203 1,207 3,211 1,212 4,215 2,220 1,223 3,224 4,227 2,229 3,236 3,237 4,240 1,242 1,249 1,250 4,253 1,258 2,262 3,263 2,266 3,271 1,275 1103,276 17.809,277 17.809,278 17.809,279 17.809,280 17.809,281 16.028,282 25.789,283 10.581,284 18.3,285 14.339,286 14.339,287 14.339,288 14.339,289 14.339,290 11.526,291 33.398,292 5.072,293 15.113,294 3.517,295 1.395,296 0.715,297 0.558,298 0.558,299 0.558,300 4.018,304 1,305 1,306 633,307 3.391,311 286.853,318 1.679,319 51.894,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 63,331 300,332 4.408,333 3.82,334 6.367,335 3.943,336 2.984,337 4.135,338 2.612,339 9.569,340 2.856,341 4.262,342 3.68,343 6.202,344 3.887,345 2.946,346 3.635,347 2.028,348 9.328,349 2.774,350 3.854,351 3.515,352 5.567,353 3.541,354 2.577,355 3.232,356 1.408,357 7.583,358 2.482,359 3.651,360 3.122,361 5.345,362 3.331,363 2.374,364 2.905,365 0.993,366 6.922,367 2.26,368 3.503,369 2.933,370 4.91,371 3.079,372 2.076,373 2.662,374 0.86,375 5.722,376 2.067,377 3.364,378 2.786,379 4.697,380 2.814,381 1.861,382 2.569,383 0.849,384 4.789,385 1.763,386 3.18,387 2.389,388 4.522,389 2.694,390 1.742,391 2.312,392 0.25,393 4.621,394 1.648,395 2.888,396 2.287,397 4.335,398 2.599,399 1.658,400 1.873,401 0.129,402 4.191,403 1.533,404 2.607,405 1.554,406 3.608,407 2,408 1.069,409 1.596,411 2.607,412 1,413 2.213,414 1.413,415 3.49,416 1.952,417 1,418 1.153,420 2.424,421 0.946,422 2,423 1.256,424 3.247,425 1.95,426 1,427 1,428 2.136,429 0.934,430 1.476,431 1,432 3.02,433 1.134,434 0.21,435 0.248,436 0.525,437 0.19,438 1.291,439 0.879,440 2.585,441 0.812,442 -0.168,443 -0.195,445 -0.456,446 -0.161,447 1,448 0.751,449 2.521,450 0.62,451 -0.39,452 -0.501,454 -1.002,455 -0.379,456 1,457 0.681,458 2.316,459 0.418,460 -0.534,461 -0.651,463 -1.354,464 -0.503,465 11.952,466 0.443,467 0.753,468 0.028,469 34.25,470 1.269,471 15.5,472 0.574,473 18.75,474 0.694,475 19.861,476 0.736,477 30.648,478 0.713,479 28.693,480 1.063,481 7.233,482 0.268,483 5.686,484 0.211,485 0.135,487 0.36,491 1,493 0.609,494 1.324,495 0.626,496 1.173,497 0.52,498 0.961,499 0.746,500 1.171,501 0.789,502 1.109,503 0.497,504 1.001,505 1.068,506 1.032,507 1.078,508 0.939,509 0.879,510 0.972,511 0.651,512 0.959,513 0.853,514 1.084,515 0.713,516 1.065,517 0.859,518 0.784,519 0.957,520 0.975,521 0.917,522 0.991,523 0.991,524 0.973,525 1.042,526 1.104,527 1.085,528 1.111,529 0.826,530 0.88,531 0.961,532 0.908,533 0.787,534 0.954,535 1.275,536 0.837,537 1.066,538 0.76,539 1.219,540 0.808,541 6.5,542 0.174,543 2.444,544 2.188,545 1.338,546 1,547 0.568,548 0.29,549 0.283,550 0.163,551 8915,552 34964,553 2.014,554 37.2,556 12,559 2,560 2,564 1.699,565 1.862,566 3.459,567 0.414,569 1,573 82.11,574 1.91,575 4.032,576 4.711,577 4.868,578 4.868,579 4.868,580 2.89,581 4.31,582 4.73,583 3.635,584 1275.8,585 8.2,586 16810.6,588 1,591 233.329,592 1.487,593 4.672,594 0.224,595 0.008,596 0.061,597 0.055,598 0.035,599 0.029,600 0.018,601 0.01,602 0.012,603 0.007,604 0.46,605 0.33,606 0.88,607 0.803,608 135.154,609 0.011,610 -0.184,611 0.037,612 -0.073,613 -0.01,614 -0.025,615 0.018,616 -0.147,617 0.021,618 -0.079,619 0.113,620 -0.048,621 -0.208,622 -0.026,623 -0.156,624 0.016,625 -0.108,626 -0.021,627 0.217,628 0.056,629 0.114,630 -0.083,631 0.182,632 -0.048,633 -0.045,634 0.029,635 -0.001,636 -0.021,637 -0.07,638 0.006,639 -0.049,640 -0.128,641 -0.069,642 -0.127,643 -0.067,644 -0.121,645 0.124,646 -0.051,647 0.059,648 0.012,649 0.192,650 0.024,651 -0.255,652 0.039,653 -0.002,654 0.172,655 -0.212,656 0.19,657 2.879,658 5.353,659 0.667,660 24.206,661 1.046,662 1.148,663 2.095,664 4.39,665 0.647,666 3.401,667 3.714,668 3.912,669 4.159,670 4.331,671 4.317,672 4.382,673 4.369,674 4.382,675 4.394,676 6.76,677 0.656,678 377.37,679 3.401,680 4.934,681 5.759,682 6.627,683 7.467,684 8.336,685 9.182,686 10.052,687 10.901,688 11.769,689 11.6,692 1,696 2,698 1,700 1,704 3,709 3,711 6,725 1,730 1,731 43,733 12,734 1,735 29,737 45,738 16,739 6,740 3,741 3,742 4,746 3,747 3,758 1,761 11,762 5,766 6,768 1,771 4,773 1,774 1,775 4,777 1,778 1,779 1,781 16,782 10,783 2,784 11,790 5,791 1,794 1,795 5,812 3,826 2,831 1,836 1,839 1,840 3,846 1,848 27,854 5,855 2,856 1,859 1,869 1,870 11.6,873 2,874 1,876 2,877 14.5,878 7.66,879 5.917,880 2.426,881 1.921,882 1.271,883 0.954,884 5.912,885 9.021,886 3.664,887 4.197,888 4.608,889 5.12,890 5.522,891 5.651,892 5.841,893 5.84,894 5.889,895 6.035,896 1,897 40,898 10.068,900 4.448,901 8.414,902 17.989,904 14.356,905 2.914,906 78.667,910 164.795,911 82.535,912 61.601,914 112.037,915 14.96,917 82.535,918 276.832,919 76.562,920 5.67,921 51.952,922 37.905,923 73.027,924 36.872,925 14.96,926 164.795,927 50.747,928 164.795,929 144.137,930 126.997,933 179.756,934 50.29,935 61.747,937 71.862,938 57.128,939 15.146,941 179.756,942 173.638,943 82.535,946 164.795,947 44.63,948 46.699,949 36.022,950 143.782,951 164.795,952 188.598,953 82.535,955 0.582,956 0.326,957 0.178,958 0.096,959 18,960 9,961 0.111,962 5,964 1,965 3.86,966 220.445,968 18,969 122.382,974 19.109,975 8.353,976 4.949,978 182.928,979 3.029,984 -1.671,986 36.022,987 435.929,988 38,990 -0.879,993 45.557,995 1.343,996 4.285,997 -0.356,999 44.96,1000 49.369,1001 0.352,1002 0.743,1003 0.868,1004 0.897,1005 0.897,1006 0.897,1007 4.909,1008 1.658,1009 5.746,1010 4.621,1011 4.394,1012 4.883,1013 3.31,1014 6.518,1015 4.298,1016 6.108,1017 1.069,1018 7.283,1019 4.191,1020 4.007,1021 4.783,1022 2.795,1023 7.314,1024 3.881,1025 7.412,1026 1,1027 8.914,1028 2.607,1029 5.953,1030 6.979,1031 4.567,1032 10.38,1033 5.763,1034 8.744,1035 1,1036 10.598,1037 2.424,1038 6.312,1039 7.63,1040 4.781,1041 11.965,1042 6.082,1043 10.103,1044 0.21,1045 12.317,1046 2.136,1047 7.769,1048 9.365,1049 6.175,1050 14.541,1051 7.482,1052 11.48,1053 -0.168,1054 14.06,1055 0.525,1056 8.489,1057 10.374,1058 6.721,1059 16.482,1060 8.155,1061 12.872,1062 -0.39,1063 15.821,1064 -0.456,1065 9.734,1066 11.924,1067 7.926,1068 18.861,1069 9.347,1070 2.984,1071 -0.534,1072 17.596,1073 -1.002,1074 10.635,1075 13.117,1076 8.648,1077 20.968,1078 10.197,1079 2.946,1080 9.569,1081 19.382,1082 -1.354,1083 11.785,1084 14.587,1085 9.749,1086 23.266,1087 11.296,1088 2.577,1089 9.328,1090 21.177,1091 4.135,1092 12.778,1093 15.878,1094 10.569,1095 25.448,1096 12.235,1097 2.374,1098 7.583,1099 22.98,1100 3.635,1101 13.886,1102 17.311,1103 11.611,1104 27.714,1105 13.293,1106 2.076,1107 6.922,1108 24.788,1109 3.232,1110 14.923,1111 18.655,1112 12.489,1113 29.931,1114 14.278,1115 1.861,1116 5.722,1117 26.602,1118 2.905,1119 16.015,1120 20.074,1121 13.496,1122 32.184,1123 15.319,1124 1.742,1125 4.789,1126 28.42,1127 2.662,1128 17.075,1129 21.447,1130 14.408,1131 34.417,1132 16.327,1133 8719,1134 17457,1135 18.898,1136 27.807,1137 43.365,1138 45.624,1139 44.414,1140 42.925,1141 42.996,1142 54.641,1143 18.259,1144 120.834,1145 40.907,1146 5.408,1147 5.82,1148 6.169,1149 5.047,1150 4.984,1151 7.135,1152 4.612,1153 15.924,1154 4.856,1155 15.068,1156 1.495,1157 1.573,1158 1.532,1159 1.48,1160 1.483,1161 1.884,1162 0.63,1163 4.167,1164 1.411,1165 4.008,1166 4.038,1167 3.982,1168 3.861,1169 8.201,1170 3.88,1171 3.901,1172 3.947,1173 3.853,1174 3.707,1175 7.814,1176 3.736,1177 3.688,1178 3.738,1179 3.592,1180 3.463,1181 7.432,1182 3.483,1183 3.542,1184 3.572,1185 3.499,1186 3.259,1187 7.427,1188 3.295,1189 3.399,1190 3.421,1191 3.345,1192 3.03,1193 6.999,1194 3.119,1195 3.111,1196 3.206,1197 2.94,1198 2.941,1199 4.762,1200 2.91,1201 2.999,1202 3.062,1203 2.872,1204 2.789,1205 4.614,1206 2.81,1207 2.944,1208 2.991,1209 2.866,1210 2.597,1211 4.574,1212 2.66,1213 0.152,1214 0.132,1215 0.22,1216 0.136,1217 0.103,1218 4.408,1219 0.143,1220 3.82,1221 0.09,1222 6.367,1223 0.33,1224 3.943,1225 0.098,1226 2.984,1227 4.135,1228 2.612,1229 9.569,1230 2.856,1231 1.908,1232 1.883,1233 1.985,1234 2.091,1235 1.209,1236 2.046,1237 1.801,1238 1.755,1239 1.946,1240 2.024,1241 1.075,1242 1.999,1243 1.609,1244 1.558,1245 1.783,1246 1.86,1247 0.933,1248 1.837,1249 1.376,1250 1.346,1251 1.528,1252 1.709,1253 0.825,1254 1.624,1255 1.183,1256 1.153,1257 1.513,1258 1.55,1259 0.613,1260 1.498,1261 1.153,1262 1.064,1263 1.278,1264 1.376,1265 0.214,1266 1.429,1267 0.918,1268 0.86,1269 1.134,1270 1.184,1271 0.211,1272 1.17,1273 0.777,1274 0.72,1275 1.065,1276 1.144,1277 0.142,1278 1.109,1279 4.078,1281 5.389,1283 6.884,1285 8.465,1287 10.09,1291 13.353,1295 1.961,1296 4.914,1297 5.253,1300 1.878,1305 28.225,1306 82.11,1307 173.355,1308 202.574,1309 209.329,1310 209.329,1311 209.329,1312 75.673,1313 7.1,1314 133.14,1315 133.14,1316 18,1317 12.317,1318 3.7,1319 3.322,1320 47.088,1321 111,1322 95,1323 0.207,1324 173.799,1325 321.28,1326 415.831,1327 11493,1328 2.3,1329 19.389,1330 0.718,1331 0.522,1332 18.518,1333 14.106,1334 12.919,1335 0.445,1336 0.279,1337 7.876,1338 11.984,1339 7.816,1340 6.376,1341 12.508,1342 8.089,1343 11.977,1344 0.299,1345 0.145,1346 11.45,1347 5.798,1348 9.088,1349 0.185,1350 0.079,1351 8.631,1352 3.867,1353 7.811,1354 0.124,1355 0.042,1356 7.372,1357 2.62,1358 5.94,1359 0.079,1360 0.022,1361 5.717,1362 1.685,1363 0.329,1364 84.231,1365 0.23,1366 26.12,1367 0.555,1368 138,1369 616.39,1370 164.002,1371 547.78,1372 703.85,1373 504,1374 158,1375 490.748,1376 182.325,1377 475.664,1378 687.63,1379 445,1380 5.361}
{0 CHEMBL2151930,1 1.626,2 10.042,3 0.86,4 0.74,5 89.327,6 7.464,7 0.231,8 3.89,9 4.012,10 3.456,11 3.351,12 4.994,13 3.355,14 4.442,15 4.625,16 3.789,17 3.709,18 5.538,19 3.695,20 4.666,21 4.876,22 3.813,23 3.841,24 5.753,25 3.8,26 4.667,27 4.891,28 3.745,29 3.815,30 5.814,31 3.734,32 4.645,33 4.883,34 3.719,35 3.729,36 5.762,37 3.677,38 4.562,39 4.76,40 3.689,41 3.638,42 5.885,43 3.612,44 4.521,45 4.745,46 3.535,47 3.618,48 5.629,49 3.548,50 4.509,51 4.762,52 3.406,53 3.56,54 5.535,55 3.468,56 0.054,57 0.667,58 9.016,59 3.636,60 6.871,61 4.966,62 0.385,63 1.029,64 18.121,65 5.735,66 26.056,67 8.143,68 0.491,69 1.203,70 23.864,71 6.821,72 44.218,73 9.946,74 0.542,75 1.168,76 23.987,77 7.794,78 57.156,79 11.284,80 0.412,81 1.078,82 24.277,83 7.223,84 50.893,85 10.625,86 0.642,87 0.988,88 22.178,89 6.083,90 89.468,91 8.481,92 0.521,93 0.957,94 21.372,95 6.261,96 58.837,97 9.074,98 0.372,99 0.906,100 21.663,101 6.509,102 47.041,103 9.562,104 10,105 35,106 0.284,107 0.631,108 0.774,109 0.804,110 0.815,111 0.815,112 3.228,113 0.909,114 -3.3,115 -3.28,116 -3.15,119 38.6,121 1,124 1,125 4,135 1,139 1,142 5,144 1,158 3,172 4,174 3,175 7,178 1,180 3,183 4,186 1,192 2,195 2,198 5,199 4,202 2,204 1,207 3,211 1,212 3,220 2,223 2,224 6,227 2,229 1,232 1,236 2,237 5,250 6,258 2,262 1,263 4,266 1,271 2,275 862,276 16.206,277 16.206,278 16.206,279 16.206,280 16.206,281 14.805,282 21.897,283 9.82,284 16.64,285 12.856,286 12.856,287 12.856,288 12.856,289 12.856,290 10.619,291 28.058,292 4.723,293 13.511,294 3.834,295 1.846,296 1.025,297 0.852,298 0.79,299 0.79,300 3.91,304 1,305 1,306 515,307 2.828,311 248.277,318 1.465,319 28.103,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 53,331 241,332 4.362,333 3.779,334 6.443,335 4.018,336 3.075,337 3.728,338 2.03,339 9.93,340 2.901,341 3.966,342 3.576,343 6.036,344 3.632,345 2.684,346 3.474,347 1.475,348 8.589,349 2.569,350 3.783,351 3.128,352 5.497,353 3.537,354 2.584,355 2.941,356 1.056,357 7.398,358 2.429,359 3.563,360 2.86,361 5.133,362 3.193,363 2.18,364 2.743,365 0.86,366 6.115,367 2.197,368 3.279,369 2.531,370 4.65,371 2.779,372 1.798,373 2.419,374 0.849,375 4.865,376 1.761,377 2.956,378 2.315,379 4.496,380 2.7,381 1.777,382 1.981,383 0.267,384 4.529,385 1.619,386 2.848,387 1.676,388 3.592,389 2.384,390 1.387,391 1.947,392 0.193,393 2.998,394 1.379,395 2.5,396 1.519,397 3.546,398 2.027,399 1.155,400 1.5,401 0.034,402 2.732,403 1.001,404 2.258,405 1.373,406 3.247,407 2,408 1,409 1.221,411 2.136,412 1,413 2,414 1.256,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.817,423 1,424 3.162,425 1.425,426 0.447,427 0.512,428 1.097,429 0.431,430 1.25,431 0.754,432 2.767,433 0.886,434 -0.081,435 -0.101,436 -0.212,437 -0.077,438 1.164,439 0.37,440 2.594,441 0.705,442 -0.319,443 -0.437,445 -0.8,446 -0.321,447 0.693,448 0.009,449 2.221,450 0.392,451 -0.596,452 -0.677,454 -1.403,455 -0.58,456 0.5,457 -0.36,458 1.893,459 0.105,460 -0.879,461 -1,463 -2.151,464 -0.846,465 11.1,466 0.463,467 0.541,468 0.023,469 29,470 1.208,471 12.5,472 0.521,473 16.5,474 0.688,475 18.426,476 0.768,477 26.7,478 0.607,479 22.12,480 0.922,481 6.142,482 0.256,483 5.489,484 0.229,485 0.105,487 0.297,493 0.765,494 1.632,495 0.763,496 1.273,497 0.548,498 1.051,499 0.97,500 1.119,501 0.911,502 0.962,503 0.604,504 0.925,505 1.259,506 1.079,507 1.111,508 0.935,509 1.083,510 0.97,511 0.715,512 0.986,513 1.01,514 1.104,515 0.977,516 1.115,517 1.029,518 1.048,519 0.875,520 0.98,521 1.225,522 0.903,523 1.458,524 0.999,525 1.163,526 0.966,527 1.748,528 1,529 1.133,530 1.007,531 1.103,532 0.986,533 1.338,534 1.026,535 1.077,536 0.968,537 0.99,538 0.969,539 1.045,540 0.961,541 4.5,542 0.021,543 2.222,544 1.5,545 1.227,546 0.819,547 0.527,548 0.313,549 0.226,550 0.117,551 6376,552 17711,553 2.064,554 45.5,556 17,559 1,560 2,564 1.67,565 1.946,566 3.316,567 -0.26,569 1,571 1,573 71.535,574 1.626,575 3.613,576 4.434,577 4.607,578 4.67,579 4.67,580 2.736,581 3.97,582 4.556,583 3.442,584 949.94,585 7.871,586 11231.6,588 1,591 240.215,592 1.347,593 4.522,594 0.173,595 0.002,596 0.063,597 0.043,598 0.04,599 0.026,600 0.018,601 0.013,602 0.01,603 0.007,604 0.395,605 0.33,606 1,607 0.566,608 114.207,609 -0.047,610 -0.373,611 0.061,612 -0.167,613 -0.029,614 -0.053,615 0.011,616 0.02,617 0.02,618 0.022,619 0.031,620 0.017,621 -0.21,622 -0.007,623 -0.145,624 0.015,625 -0.122,626 -0.037,627 0.165,628 0.046,629 -0.058,630 -0.127,631 0.043,632 -0.144,633 -0.03,634 -0.089,635 0.117,636 -0.019,637 -0.031,638 0.07,639 -0.06,640 0.005,641 -0.141,642 -0.04,643 0.013,644 -0.098,645 -0.038,646 -0.024,647 -0.112,648 -0.03,649 -0.099,650 -0.074,651 -0.113,652 -0.051,653 0.009,654 -0.006,655 -0.065,656 0.025,657 1.872,658 5.233,659 0.75,660 19.917,661 1.01,662 1.135,663 2.068,664 4.277,665 0.647,666 3.296,667 3.584,668 3.807,669 4.025,670 4.234,671 4.205,672 4.263,673 4.304,674 4.29,675 4.277,676 5.934,677 0.624,678 328.41,679 3.296,680 4.812,681 5.638,682 6.494,683 7.338,684 8.199,685 9.051,686 9.916,687 10.772,688 11.64,689 9.1,692 1,696 2,698 1,704 5,709 1,711 6,731 44,733 10,734 1,735 26,737 46,738 17,739 6,740 1,741 5,742 4,746 3,747 3,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,781 20,782 7,783 1,784 7,790 4,791 1,794 1,795 3,812 3,826 1,827 1,831 1,836 1,839 1,840 3,844 1,848 24,854 5,855 1,856 1,859 2,870 6.8,873 2,874 1,877 12.333,878 8.1,879 5.333,880 2.553,881 1.641,882 1.241,883 0.961,884 5.283,885 8.453,886 3.526,887 3.998,888 4.428,889 4.888,890 5.288,891 5.314,892 5.411,893 5.606,894 5.591,895 5.82,896 0.857,897 35,898 8.907,900 3.746,901 7.868,902 16.82,904 13.42,905 2.368,906 56.833,910 223.651,911 98.006,912 41.045,914 61.29,917 98.006,918 284.941,919 41.045,920 8.396,921 37.066,922 56.857,923 73.027,924 24.995,926 223.651,928 223.651,929 139.051,930 61.29,933 223.651,934 50.29,935 11,937 56.976,938 72.6,939 9.476,941 223.651,942 102.335,943 98.006,946 223.651,947 32.753,948 71.502,949 18.011,950 78.075,951 223.651,952 102.335,953 98.006,955 0.573,956 0.328,957 0.175,958 0.098,959 16,960 7,961 0.087,962 4,964 1,965 3.646,966 188.471,968 18,969 102.039,974 16.681,975 7.6,976 4.232,978 102.335,979 9.209,984 0.719,986 18.011,987 423.992,988 33,993 24.409,995 1.504,996 4.511,997 0.665,999 44.458,1000 49.943,1001 0.298,1002 0.662,1003 0.812,1004 0.844,1005 0.855,1006 0.855,1007 4.758,1008 1.155,1009 5.602,1010 2.998,1011 4.263,1012 4.682,1013 2.823,1014 6.361,1015 4.171,1016 5.92,1017 1,1018 7.128,1019 2.732,1020 3.761,1021 4.311,1022 1.968,1023 7.135,1024 3.633,1025 7.195,1026 1,1027 8.756,1028 2.136,1029 5.802,1030 6.666,1031 3.554,1032 10.234,1033 5.611,1034 8.5,1035 0.447,1036 10.443,1037 2.136,1038 6.111,1039 7.05,1040 3.445,1041 11.83,1042 5.869,1043 9.836,1044 -0.081,1045 12.168,1046 1.097,1047 7.617,1048 8.911,1049 4.627,1050 14.432,1051 7.318,1052 11.192,1053 -0.319,1054 13.92,1055 -0.212,1056 8.319,1057 9.665,1058 4.891,1059 16.383,1060 7.959,1061 12.565,1062 -0.596,1063 15.691,1064 -0.8,1065 9.592,1066 11.295,1067 5.87,1068 18.796,1069 9.177,1070 3.075,1071 -0.879,1072 17.476,1073 -1.403,1074 10.493,1075 12.256,1076 6.329,1077 20.914,1078 10.012,1079 2.684,1080 9.93,1081 19.273,1082 -2.151,1083 11.662,1084 13.76,1085 7.195,1086 23.249,1087 11.126,1088 2.584,1089 8.589,1090 21.078,1091 3.728,1092 12.664,1093 14.845,1094 7.76,1095 25.449,1096 12.063,1097 2.18,1098 7.398,1099 22.89,1100 3.474,1101 13.79,1102 16.274,1103 8.562,1104 27.752,1105 13.133,1106 1.798,1107 6.115,1108 24.708,1109 2.941,1110 14.843,1111 17.436,1112 9.186,1113 29.993,1114 14.122,1115 1.777,1116 4.865,1117 26.531,1118 2.743,1119 15.954,1120 18.819,1121 9.95,1122 32.284,1123 15.175,1124 1.387,1125 4.529,1126 28.359,1127 2.419,1128 17.034,1129 20.031,1130 10.608,1131 34.548,1132 16.192,1133 6178,1134 10407,1135 17.394,1136 28.478,1137 38.742,1138 40.105,1139 39.012,1140 38.144,1141 38.172,1142 46.934,1143 13.529,1144 105.048,1145 36.469,1146 5.362,1147 5.779,1148 6.245,1149 5.122,1150 5.075,1151 6.728,1152 3.595,1153 16.85,1154 4.901,1155 10.254,1156 1.49,1157 1.543,1158 1.5,1159 1.467,1160 1.468,1161 1.805,1162 0.52,1163 4.04,1164 1.403,1165 3.954,1166 3.999,1167 3.901,1168 3.836,1169 7.431,1170 3.838,1171 3.875,1172 3.915,1173 3.811,1174 3.719,1175 7.426,1176 3.744,1177 3.693,1178 3.746,1179 3.584,1180 3.474,1181 4.781,1182 3.492,1183 3.465,1184 3.497,1185 3.394,1186 3.255,1187 4.733,1188 3.281,1189 3.164,1190 3.253,1191 2.998,1192 2.941,1193 4.569,1194 2.932,1195 3.111,1196 3.206,1197 2.911,1198 2.935,1199 3.988,1200 2.91,1201 2.984,1202 3.047,1203 2.866,1204 2.787,1205 3.922,1206 2.796,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.74,1212 2.715,1213 0.168,1214 0.145,1215 0.248,1216 0.155,1217 0.118,1218 4.362,1219 0.143,1220 3.779,1221 0.078,1222 6.443,1223 0.382,1224 4.018,1225 0.112,1226 3.075,1227 3.728,1228 2.03,1229 9.93,1230 2.901,1231 1.892,1232 1.86,1233 2.015,1234 2.044,1235 1.21,1236 2.024,1237 1.812,1238 1.766,1239 1.953,1240 1.986,1241 1.072,1242 1.988,1243 1.624,1244 1.57,1245 1.818,1246 1.866,1247 0.973,1248 1.854,1249 1.376,1250 1.342,1251 1.578,1252 1.618,1253 0.825,1254 1.599,1255 1.153,1256 1.064,1257 1.513,1258 1.411,1259 0.685,1260 1.437,1261 1.151,1262 1.058,1263 1.467,1264 1.376,1265 0.541,1266 1.429,1267 0.933,1268 0.868,1269 1.181,1270 1.174,1271 0.235,1272 1.178,1273 0.886,1274 0.821,1275 1.175,1276 1.072,1277 0.218,1278 1.107,1279 3.97,1281 5.263,1283 6.753,1285 8.332,1287 9.955,1289 1.629,1295 2.645,1296 2.808,1297 5.319,1300 3.415,1305 27.444,1306 71.535,1307 158.99,1308 195.096,1309 202.705,1310 205.46,1311 205.46,1312 43.888,1313 6.812,1314 76.46,1315 76.46,1316 18,1317 12.187,1318 3.459,1319 3,1320 39.206,1321 83,1322 86,1323 0.225,1324 170.334,1325 306.57,1326 407.375,1327 7692,1329 16.941,1330 0.706,1331 0.565,1332 16.941,1333 13.566,1334 11.631,1335 0.447,1336 0.303,1337 7.721,1338 11.021,1339 7.556,1340 6.226,1341 11.631,1342 7.878,1343 10.307,1344 0.294,1345 0.161,1346 10.307,1347 5.618,1348 8.403,1349 0.191,1350 0.089,1351 8.403,1352 3.925,1353 6.763,1354 0.123,1355 0.046,1356 6.763,1357 2.557,1358 5.441,1359 0.08,1360 0.025,1361 5.441,1362 1.699,1363 0.351,1364 73.954,1365 0.24,1366 23.5,1367 0.622,1368 122,1369 402.475,1370 138.355,1371 377.888,1372 505.39,1373 354,1374 140,1375 358.965,1376 156.082,1377 358.868,1378 521.45,1379 337,1380 5}
{0 CHEMBL2151931,1 1.756,2 10.76,3 1.066,4 1.136,5 89.544,6 7.873,7 0.222,8 3.9,9 4.018,10 3.502,11 3.349,12 5.059,13 3.368,14 4.454,15 4.632,16 3.854,17 3.706,18 5.635,19 3.713,20 4.685,21 4.887,22 3.882,23 3.837,24 5.874,25 3.822,26 4.681,27 4.9,28 3.786,29 3.812,30 5.886,31 3.748,32 4.651,33 4.886,34 3.761,35 3.728,36 5.813,37 3.684,38 4.572,39 4.767,40 3.729,41 3.636,42 5.928,43 3.625,44 4.534,45 4.752,46 3.632,47 3.615,48 5.819,49 3.567,50 4.525,51 4.772,52 3.462,53 3.557,54 5.625,55 3.486,56 0.116,57 0.728,58 8.271,59 3.662,60 11.501,61 4.697,62 0.476,63 1.115,64 17.489,65 5.776,66 29.437,67 7.733,68 0.687,69 1.314,70 23.785,71 6.884,72 65.183,73 9.267,74 0.691,75 1.22,76 23.903,77 7.838,78 72.766,79 10.819,80 0.6,81 1.085,82 24.27,83 7.201,84 66.311,85 10.559,86 0.778,87 1.02,88 21.877,89 6.106,90 104.03,91 8.107,92 0.738,93 0.992,94 21.381,95 6.278,96 99.456,97 8.847,98 0.565,99 0.957,100 22.241,101 6.542,102 67.374,103 9.172,104 17,105 37,106 0.307,107 0.661,108 0.799,109 0.815,110 0.815,111 0.815,112 3.267,113 0.886,114 -3.69,115 -3.65,116 -3.48,119 38.6,121 1,124 1,125 4,135 1,139 1,142 4,144 2,158 3,172 2,174 3,175 7,178 1,180 3,183 2,186 1,192 2,195 2,198 5,199 4,202 2,207 3,211 1,212 3,220 2,223 2,224 5,227 2,229 1,236 2,237 5,250 4,258 2,262 1,263 4,266 1,271 2,275 965,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 15.227,282 23.524,283 9.906,284 17.15,285 13.322,286 13.322,287 13.322,288 13.322,289 13.322,290 11.024,291 28.721,292 4.758,293 14.103,294 3.703,295 1.675,296 0.881,297 0.79,298 0.79,299 0.79,300 3.946,304 1,305 1,306 573,307 2.915,311 261.779,318 1.549,319 37.493,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 56.5,331 269,332 4.362,333 3.779,334 6.443,335 4.018,336 3.075,337 3.729,338 2.03,339 9.93,340 2.902,341 4.043,342 3.576,343 6.036,344 3.659,345 2.7,346 3.626,347 1.475,348 8.589,349 2.596,350 3.804,351 3.128,352 5.528,353 3.564,354 2.628,355 2.988,356 1.056,357 7.485,358 2.443,359 3.637,360 2.922,361 5.173,362 3.297,363 2.313,364 2.813,365 0.86,366 6.293,367 2.265,368 3.397,369 2.851,370 4.935,371 2.967,372 2.004,373 2.613,374 0.849,375 5.699,376 1.904,377 3.187,378 2.389,379 4.585,380 2.705,381 1.796,382 2.32,383 0.267,384 4.71,385 1.675,386 2.955,387 2.314,388 4.496,389 2.692,390 1.696,391 1.95,392 0.193,393 4.529,394 1.619,395 2.5,396 1.676,397 3.559,398 2.027,399 1.155,400 1.5,401 0.034,402 2.732,403 1.001,404 2.258,405 1.373,406 3.414,407 2,408 1,409 1.221,411 2.275,412 1,413 2,414 1.256,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.818,423 1,424 3.198,425 1.434,426 0.46,427 0.522,428 1.137,429 0.442,430 1.418,431 0.83,432 2.8,433 1.056,434 0.117,435 0.144,436 0.272,437 0.108,438 1.22,439 0.647,440 2.63,441 0.76,442 -0.241,443 -0.325,445 -0.635,446 -0.234,447 0.727,448 0.156,449 2.277,450 0.398,451 -0.576,452 -0.669,454 -1.39,455 -0.548,456 0.656,457 -0.027,458 2,459 0.287,460 -0.672,461 -0.777,463 -1.607,464 -0.624,465 11.386,466 0.455,467 0.647,468 0.026,469 29.75,470 1.19,471 12.5,472 0.5,473 17.25,474 0.69,475 19.61,476 0.784,477 28.214,478 0.641,479 23.726,480 0.949,481 6.346,482 0.254,483 5.679,484 0.227,485 0.128,487 0.334,491 1,493 0.694,494 1.423,495 0.704,496 1.271,497 0.528,498 1.039,499 0.863,500 1.056,501 0.842,502 0.964,503 0.567,504 0.904,505 1.205,506 1.055,507 1.119,508 0.936,509 1.037,510 0.972,511 0.743,512 0.902,513 1.031,514 1.098,515 0.906,516 1.14,517 0.757,518 0.82,519 0.813,520 0.972,521 0.86,522 0.917,523 1.221,524 0.895,525 1.14,526 0.962,527 1.354,528 1.014,529 0.845,530 0.902,531 1.005,532 0.982,533 0.894,534 1.024,535 1.04,536 0.911,537 1.023,538 0.965,539 0.993,540 0.981,541 5.5,542 0.07,543 2.667,544 1.563,545 1.418,546 0.875,547 0.609,548 0.337,549 0.267,550 0.159,551 7157,552 23224,553 2.038,554 43.2,556 16,559 1,560 2,564 1.68,565 1.899,566 3.398,567 -0.238,568 1,569 1,571 1,573 77.263,574 1.756,575 3.784,576 4.579,577 4.67,578 4.67,579 4.67,580 2.869,581 4.324,582 4.615,583 3.525,584 1057.5,585 7.983,586 12932.1,588 1,591 240.215,592 1.44,593 4.569,594 0.204,595 0.005,596 0.072,597 0.042,598 0.044,599 0.027,600 0.02,601 0.012,602 0.012,603 0.008,604 0.447,605 0.33,606 1,607 0.609,608 121.112,609 -0.057,610 -0.304,611 0.05,612 -0.166,613 -0.029,614 -0.054,615 -0.022,616 -0.047,617 0.041,618 0.017,619 0.037,620 0.037,621 -0.229,622 -0.035,623 -0.178,624 0.014,625 -0.122,626 -0.044,627 0.069,628 0.039,629 -0.101,630 -0.124,631 -0.023,632 -0.162,633 0.033,634 -0.037,635 0.148,636 -0.019,637 0.002,638 0.078,639 -0.107,640 -0.017,641 -0.162,642 -0.04,643 -0.058,644 -0.103,645 0.08,646 -0.037,647 -0.04,648 -0.032,649 0.087,650 -0.059,651 -0.133,652 -0.045,653 -0.026,654 -0.005,655 -0.095,656 0.018,657 2.041,658 5.224,659 0.72,660 21.664,661 1.022,662 1.143,663 2.456,664 6.03,665 0.646,666 3.332,667 3.638,668 3.85,669 4.06,670 4.29,671 4.263,672 4.317,673 4.331,674 4.344,675 4.357,676 6.227,677 0.632,678 346.4,679 3.332,680 4.86,681 5.687,682 6.547,683 7.392,684 8.256,685 9.108,686 9.974,687 10.831,688 11.698,689 9.1,692 1,696 2,698 1,704 4,709 2,711 6,730 1,731 44,733 10,734 1,735 27,737 46,738 17,739 6,740 2,741 4,742 4,746 3,747 3,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 19,782 8,783 1,784 8,790 4,791 1,794 1,795 3,812 3,826 1,827 1,831 1,836 1,839 1,840 3,844 1,846 1,848 25,854 5,855 1,856 1,859 2,869 1,870 6.8,873 2,874 1,877 13.167,878 8.16,879 5.5,880 2.533,881 1.67,882 1.242,883 0.961,884 5.462,885 8.58,886 3.555,887 4.052,888 4.48,889 4.937,890 5.37,891 5.416,892 5.497,893 5.63,894 5.664,895 5.897,896 1,897 37,898 9.298,900 3.977,901 8.08,902 17.241,904 13.789,905 2.58,906 64.5,910 211.88,911 97.651,912 41.045,914 61.29,915 14.96,917 97.651,918 273.17,919 56.005,920 8.396,921 37.066,922 47.381,923 73.027,924 34.116,925 14.96,926 211.88,928 211.88,929 138.696,930 76.25,933 226.84,934 50.29,935 11,937 56.976,938 72.244,939 9.476,941 226.84,942 102.335,943 97.651,946 211.88,947 41.874,948 62.026,949 18.011,950 93.035,951 211.88,952 117.295,953 97.651,955 0.581,956 0.329,957 0.17,958 0.099,959 17,960 8,961 0.087,962 4,964 1,965 3.711,966 199.34,968 18,969 108.096,974 17.585,975 7.766,976 4.44,978 117.295,979 5.485,984 0.112,986 18.011,987 426.826,988 34,993 24.396,995 1.465,996 4.465,997 0.374,999 44.971,1000 50.283,1001 0.322,1002 0.693,1003 0.839,1004 0.855,1005 0.855,1006 0.855,1007 4.8,1008 1.155,1009 5.666,1010 4.529,1011 4.317,1012 4.736,1013 2.823,1014 6.431,1015 4.214,1016 5.977,1017 1,1018 7.201,1019 2.732,1020 3.892,1021 4.477,1022 1.968,1023 7.217,1024 3.738,1025 7.264,1026 1,1027 8.832,1028 2.275,1029 5.872,1030 6.754,1031 3.554,1032 10.291,1033 5.665,1034 8.578,1035 0.46,1036 10.517,1037 2.136,1038 6.217,1039 7.224,1040 3.445,1041 11.872,1042 5.952,1043 9.92,1044 0.117,1045 12.238,1046 1.137,1047 7.688,1048 9.026,1049 4.627,1050 14.467,1051 7.373,1052 11.281,1053 -0.241,1054 13.984,1055 0.272,1056 8.401,1057 9.844,1058 4.891,1059 16.405,1060 8.025,1061 12.656,1062 -0.576,1063 15.748,1064 -0.635,1065 9.655,1066 11.434,1067 5.87,1068 18.815,1069 9.228,1070 3.075,1071 -0.672,1072 17.526,1073 -1.39,1074 10.558,1075 12.444,1076 6.329,1077 20.926,1078 10.067,1079 2.7,1080 9.93,1081 19.315,1082 -1.607,1083 11.716,1084 13.921,1085 7.195,1086 23.259,1087 11.173,1088 2.628,1089 8.589,1090 21.114,1091 3.729,1092 12.716,1093 15.044,1094 7.76,1095 25.456,1096 12.109,1097 2.313,1098 7.485,1099 22.921,1100 3.626,1101 13.836,1102 16.456,1103 8.562,1104 27.758,1105 13.175,1106 2.004,1107 6.293,1108 24.735,1109 2.988,1110 14.886,1111 17.647,1112 9.186,1113 29.997,1114 14.162,1115 1.796,1116 5.699,1117 26.554,1118 2.813,1119 15.992,1120 19.02,1121 9.95,1122 32.288,1123 15.212,1124 1.696,1125 4.71,1126 28.378,1127 2.613,1128 17.069,1129 20.253,1130 10.608,1131 34.55,1132 16.228,1133 6964,1134 12661,1135 17.8,1136 28.415,1137 40.534,1138 42.109,1139 41.05,1140 39.897,1141 39.889,1142 48.855,1143 13.529,1144 111.574,1145 37.802,1146 5.362,1147 5.779,1148 6.245,1149 5.122,1150 5.075,1151 6.729,1152 3.595,1153 16.85,1154 4.902,1155 12.545,1156 1.501,1157 1.56,1158 1.52,1159 1.478,1160 1.477,1161 1.809,1162 0.501,1163 4.132,1164 1.4,1165 3.958,1166 4.001,1167 3.908,1168 3.835,1169 8.201,1170 3.842,1171 3.882,1172 3.921,1173 3.832,1174 3.719,1175 7.431,1176 3.745,1177 3.694,1178 3.747,1179 3.586,1180 3.474,1181 7.426,1182 3.492,1183 3.47,1184 3.501,1185 3.407,1186 3.255,1187 4.751,1188 3.283,1189 3.164,1190 3.253,1191 3,1192 2.941,1193 4.658,1194 2.933,1195 3.111,1196 3.206,1197 2.951,1198 2.934,1199 4.569,1200 2.91,1201 3.005,1202 3.063,1203 2.866,1204 2.785,1205 3.976,1206 2.809,1207 2.854,1208 2.925,1209 2.751,1210 2.735,1211 3.83,1212 2.715,1213 0.162,1214 0.14,1215 0.239,1216 0.149,1217 0.114,1218 4.362,1219 0.138,1220 3.779,1221 0.075,1222 6.443,1223 0.368,1224 4.018,1225 0.107,1226 3.075,1227 3.729,1228 2.03,1229 9.93,1230 2.902,1231 1.884,1232 1.855,1233 1.988,1234 2.044,1235 1.21,1236 2.022,1237 1.811,1238 1.765,1239 1.951,1240 1.987,1241 1.06,1242 1.982,1243 1.624,1244 1.57,1245 1.817,1246 1.866,1247 0.97,1248 1.854,1249 1.374,1250 1.34,1251 1.574,1252 1.619,1253 0.825,1254 1.596,1255 1.153,1256 1.064,1257 1.513,1258 1.411,1259 0.684,1260 1.437,1261 1.151,1262 1.057,1263 1.466,1264 1.376,1265 0.541,1266 1.429,1267 0.911,1268 0.854,1269 1.181,1270 1.177,1271 0.218,1272 1.16,1273 0.886,1274 0.821,1275 1.109,1276 1.072,1277 0.196,1278 1.107,1279 4.007,1281 5.313,1283 6.81,1285 8.392,1287 10.017,1289 1.582,1291 12.915,1295 2.415,1296 2.669,1297 5.301,1300 3.32,1305 27.828,1306 77.263,1307 166.5,1308 201.46,1309 205.46,1310 205.46,1311 205.46,1312 54.939,1313 6.911,1314 76.46,1315 76.46,1316 18,1317 12.246,1318 3.459,1319 3,1320 41.77,1321 91,1322 102,1323 0.219,1324 171.532,1325 312.64,1326 410.299,1327 8763,1328 2.3,1329 17.811,1330 0.712,1331 0.555,1332 16.941,1333 13.867,1334 12.025,1335 0.445,1336 0.295,1337 7.795,1338 11.296,1339 7.65,1340 6.274,1341 11.631,1342 7.978,1343 10.929,1344 0.295,1345 0.156,1346 10.307,1347 5.759,1348 8.814,1349 0.192,1350 0.087,1351 8.403,1352 3.996,1353 6.905,1354 0.121,1355 0.045,1356 6.763,1357 2.569,1358 5.732,1359 0.08,1360 0.024,1361 5.441,1362 1.727,1363 0.343,1364 77.183,1365 0.237,1366 24.394,1367 0.599,1368 128,1369 496.586,1370 148.186,1371 439.981,1372 576.74,1373 410,1374 147,1375 402.299,1376 165.992,1377 395.379,1378 574.71,1379 371,1380 5}
{0 CHEMBL2151932,1 1.839,2 10.846,3 1.271,4 1.616,5 89.76,6 8.282,7 0.214,8 3.91,9 4.024,10 3.546,11 3.347,12 5.122,13 3.381,14 4.465,15 4.638,16 3.916,17 3.703,18 5.709,19 3.732,20 4.706,21 4.899,22 3.989,23 3.833,24 6.093,25 3.846,26 4.695,27 4.909,28 3.86,29 3.809,30 5.984,31 3.766,32 4.665,33 4.895,34 3.801,35 3.725,36 5.879,37 3.698,38 4.584,39 4.773,40 3.81,41 3.633,42 6.072,43 3.642,44 4.549,45 4.762,46 3.677,47 3.612,48 5.888,49 3.583,50 4.538,51 4.779,52 3.566,53 3.555,54 5.738,55 3.503,56 0.188,57 0.792,58 7.473,59 3.688,60 19.003,61 4.423,62 0.589,63 1.211,64 16.739,65 5.816,66 40.017,67 7.311,68 1.018,69 1.541,70 23.523,71 6.951,72 116.254,73 8.674,74 0.882,75 1.295,76 23.579,77 7.867,78 92.899,79 10.405,80 0.814,81 1.129,82 24.499,83 7.232,84 96.17,85 10.125,86 0.997,87 1.053,88 21.442,89 6.123,90 146.113,91 7.819,92 0.913,93 1.047,94 21.357,95 6.316,96 125.191,97 8.362,98 0.793,99 1.008,100 22.474,101 6.522,102 87.652,103 9.065,104 26,105 39,106 0.321,107 0.672,108 0.812,109 0.839,110 0.847,111 0.847,112 3.304,113 0.866,114 -3.8,115 -3.77,116 -3.58,119 38.6,121 1,124 1,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 3,175 7,178 1,180 3,183 1,186 1,192 1,195 1,198 5,199 4,202 2,207 3,211 1,212 2,220 1,223 2,224 5,227 2,229 1,236 2,237 3,250 4,258 2,262 1,263 2,266 1,271 1,275 1048,276 17.154,277 17.154,278 17.154,279 17.154,280 17.154,281 15.674,282 24.1,283 10.073,284 17.693,285 13.79,286 13.79,287 13.79,288 13.79,289 13.79,290 11.41,291 30.282,292 4.811,293 14.671,294 3.62,295 1.61,296 0.807,297 0.654,298 0.608,299 0.608,300 3.981,304 1,305 1,306 598,307 3,311 273.754,318 1.562,319 47.507,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 60,331 282,332 4.362,333 3.779,334 6.443,335 4.019,336 3.075,337 3.875,338 2.03,339 9.93,340 2.902,341 4.222,342 3.578,343 6.036,344 3.79,345 2.843,346 3.726,347 1.475,348 8.594,349 2.685,350 3.826,351 3.285,352 5.957,353 3.59,354 2.664,355 3.036,356 1.056,357 8.364,358 2.468,359 3.685,360 3.128,361 5.409,362 3.388,363 2.417,364 2.848,365 0.86,366 6.983,367 2.33,368 3.433,369 2.857,370 5.101,371 3.019,372 2.04,373 2.646,374 0.849,375 5.981,376 1.969,377 3.199,378 2.39,379 4.619,380 2.709,381 1.796,382 2.329,383 0.267,384 4.752,385 1.687,386 2.955,387 2.314,388 4.496,389 2.696,390 1.7,391 1.951,392 0.193,393 4.529,394 1.619,395 2.82,396 2.092,397 4.04,398 2.353,399 1.414,400 1.948,401 0.034,402 3.522,403 1.311,404 2.258,405 1.676,406 3.559,407 2.027,408 1.155,409 1.221,411 2.732,412 1.001,413 2,414 1.373,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.818,423 1.256,424 3.211,425 1.436,426 0.466,427 0.528,428 1.152,429 0.445,430 1.533,431 0.866,432 2.839,433 1.152,434 0.245,435 0.298,436 0.548,437 0.215,438 1.226,439 0.714,440 2.663,441 0.788,442 -0.18,443 -0.228,445 -0.484,446 -0.168,447 0.96,448 0.356,449 2.389,450 0.565,451 -0.388,452 -0.499,454 -0.988,455 -0.366,456 0.696,457 0.024,458 2.36,459 0.391,460 -0.596,461 -0.677,463 -1.406,464 -0.577,465 11.671,466 0.449,467 0.736,468 0.028,469 30.5,470 1.173,471 12.5,472 0.481,473 18,474 0.692,475 20.966,476 0.806,477 29.729,478 0.676,479 25.531,480 0.982,481 6.565,482 0.252,483 5.871,484 0.226,485 0.149,487 0.368,491 2,493 0.663,494 1.301,495 0.657,496 1.268,497 0.525,498 1.029,499 0.814,500 1.024,501 0.786,502 0.966,503 0.573,504 0.884,505 1.059,506 0.988,507 1.056,508 0.936,509 0.893,510 0.963,511 0.714,512 0.841,513 1.002,514 1.093,515 0.844,516 1.151,517 0.784,518 0.791,519 0.851,520 0.968,521 0.857,522 0.938,523 0.99,524 0.835,525 1.054,526 0.959,527 1.033,528 1.012,529 0.881,530 0.875,531 1.046,532 0.978,533 0.909,534 1.047,535 0.848,536 0.776,537 0.942,538 0.96,539 0.844,540 0.986,541 6,542 0.116,543 3.111,544 1.875,545 1.529,546 0.986,547 0.609,548 0.368,549 0.292,550 0.198,551 7866,552 28369,553 2.014,554 40.9,556 15,559 1,560 2,564 1.691,565 1.857,566 3.418,567 -0.218,568 1,569 1,573 80.915,574 1.839,575 3.849,576 4.652,577 4.806,578 4.851,579 4.851,580 2.869,581 4.316,582 4.673,583 3.553,584 1154.87,585 8.098,586 14560.3,588 1,591 240.215,592 1.502,593 4.615,594 0.214,595 0.006,596 0.08,597 0.047,598 0.045,599 0.03,600 0.019,601 0.013,602 0.012,603 0.009,604 0.475,605 0.33,606 1,607 0.638,608 127.68,609 -0.063,610 -0.262,611 0.04,612 -0.165,613 -0.026,614 -0.054,615 -0.043,616 -0.089,617 0.06,618 0.012,619 0.023,620 0.058,621 -0.119,622 0.002,623 -0.134,624 0.014,625 0.004,626 -0.038,627 0.067,628 0.048,629 -0.086,630 -0.123,631 -0.02,632 -0.165,633 -0.013,634 -0.032,635 0.107,636 -0.018,637 -0.04,638 0.071,639 -0.02,640 -0.03,641 -0.106,642 -0.041,643 0.052,644 -0.091,645 0.004,646 -0.034,647 -0.09,648 -0.03,649 0.013,650 -0.075,651 -0.013,652 0.018,653 0.053,654 -0.005,655 -0.036,656 0.034,657 2.72,658 5.233,659 0.692,660 22.331,661 1.034,662 1.151,663 2.574,664 6.624,665 0.644,666 3.367,667 3.689,668 3.912,669 4.111,670 4.331,671 4.331,672 4.357,673 4.382,674 4.394,675 4.431,676 6.377,677 0.641,678 364.39,679 3.367,680 4.905,681 5.74,682 6.605,683 7.456,684 8.325,685 9.182,686 10.052,687 10.912,688 11.783,689 9.1,692 1,696 2,698 1,704 3,709 3,711 6,730 2,731 44,733 10,734 1,735 28,737 46,738 17,739 6,740 3,741 3,742 4,746 3,747 3,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 2,781 18,782 9,783 1,784 9,790 4,791 1,794 1,795 3,812 3,826 1,827 1,831 1,836 1,839 1,840 3,844 1,846 2,848 26,854 5,855 1,856 1,859 2,869 2,870 6.8,873 2,874 1,877 14,878 8.219,879 5.694,880 2.52,881 1.701,882 1.243,883 0.962,884 5.645,885 8.703,886 3.584,887 4.103,888 4.546,889 5,890 5.426,891 5.529,892 5.557,893 5.706,894 5.712,895 5.99,896 1,897 40,898 9.731,900 4.268,901 8.276,902 17.662,904 14.163,905 2.776,906 72.167,910 200.109,911 97.296,912 41.045,914 61.29,915 29.92,917 97.296,918 261.398,919 70.965,920 8.396,921 37.066,922 37.905,923 73.027,924 43.237,925 29.92,926 200.109,928 200.109,929 138.341,930 91.21,933 230.029,934 50.29,935 11,937 56.976,938 71.889,939 9.476,941 230.029,942 102.335,943 97.296,946 200.109,947 50.995,948 52.55,949 18.011,950 107.995,951 200.109,952 132.255,953 97.296,955 0.587,956 0.339,957 0.17,958 0.096,959 18,960 9,961 0.087,962 4,964 1,965 3.752,966 211.668,968 18,969 118.211,974 18.491,975 7.937,976 4.47,978 132.255,979 3.078,984 -1.92,986 18.011,987 429.66,988 35,993 24.38,995 1.419,996 4.408,997 0.001,999 45.483,1000 50.622,1001 0.337,1002 0.705,1003 0.852,1004 0.88,1005 0.889,1006 0.889,1007 4.84,1008 1.414,1009 5.733,1010 4.529,1011 4.369,1012 4.787,1013 2.823,1014 6.518,1015 4.254,1016 6.031,1017 1.155,1018 7.286,1019 3.522,1020 4.007,1021 4.62,1022 1.968,1023 7.341,1024 3.834,1025 7.331,1026 1,1027 8.933,1028 2.732,1029 5.948,1030 6.844,1031 3.554,1032 10.414,1033 5.723,1034 8.658,1035 0.466,1036 10.634,1037 2.136,1038 6.347,1039 7.414,1040 3.445,1041 12.006,1042 6.053,1043 10.014,1044 0.245,1045 12.368,1046 1.152,1047 7.791,1048 9.173,1049 4.627,1050 14.6,1051 7.45,1052 11.387,1053 -0.18,1054 14.124,1055 0.548,1056 8.545,1057 10.092,1058 4.891,1059 16.533,1060 8.131,1061 12.775,1062 -0.388,1063 15.896,1064 -0.484,1065 9.783,1066 11.653,1067 5.87,1068 18.939,1069 9.322,1070 3.075,1071 -0.596,1072 17.68,1073 -0.988,1074 10.71,1075 12.756,1076 6.329,1077 21.039,1078 10.179,1079 2.843,1080 9.93,1081 19.474,1082 -1.406,1083 11.86,1084 14.218,1085 7.195,1086 23.365,1087 11.278,1088 2.664,1089 8.594,1090 21.275,1091 3.875,1092 12.872,1093 15.422,1094 7.76,1095 25.549,1096 12.224,1097 2.417,1098 8.364,1099 23.082,1100 3.726,1101 13.987,1102 16.832,1103 8.562,1104 27.843,1105 13.285,1106 2.04,1107 6.983,1108 24.894,1109 3.036,1110 15.041,1111 18.093,1112 9.186,1113 30.072,1114 14.277,1115 1.796,1116 5.981,1117 26.711,1118 2.848,1119 16.143,1120 19.475,1121 9.95,1122 32.354,1123 15.324,1124 1.7,1125 4.752,1126 28.532,1127 2.646,1128 17.22,1129 20.769,1130 10.608,1131 34.608,1132 16.34,1133 7685,1134 14750,1135 18.205,1136 28.353,1137 42.225,1138 44.314,1139 43.055,1140 41.634,1141 41.628,1142 50.811,1143 13.529,1144 118.444,1145 39.157,1146 5.362,1147 5.779,1148 6.245,1149 5.122,1150 5.075,1151 6.875,1152 3.595,1153 16.851,1154 4.902,1155 14.469,1156 1.508,1157 1.583,1158 1.538,1159 1.487,1160 1.487,1161 1.815,1162 0.483,1163 4.23,1164 1.398,1165 3.962,1166 4.004,1167 3.922,1168 3.835,1169 8.24,1170 3.847,1171 3.888,1172 3.926,1173 3.848,1174 3.719,1175 8.161,1176 3.746,1177 3.694,1178 3.747,1179 3.588,1180 3.474,1181 7.431,1182 3.493,1183 3.473,1184 3.503,1185 3.414,1186 3.255,1187 7.426,1188 3.284,1189 3.164,1190 3.253,1191 3.002,1192 2.941,1193 4.748,1194 2.933,1195 3.111,1196 3.206,1197 2.964,1198 2.934,1199 4.581,1200 2.91,1201 3.012,1202 3.068,1203 2.866,1204 2.784,1205 4.564,1206 2.813,1207 2.895,1208 2.954,1209 2.806,1210 2.733,1211 3.975,1212 2.733,1213 0.156,1214 0.135,1215 0.23,1216 0.144,1217 0.11,1218 4.362,1219 0.138,1220 3.779,1221 0.072,1222 6.443,1223 0.355,1224 4.019,1225 0.104,1226 3.075,1227 3.875,1228 2.03,1229 9.93,1230 2.902,1231 1.877,1232 1.85,1233 1.967,1234 2.044,1235 1.21,1236 2.02,1237 1.81,1238 1.765,1239 1.943,1240 1.989,1241 1.049,1242 1.975,1243 1.624,1244 1.57,1245 1.815,1246 1.866,1247 0.966,1248 1.853,1249 1.373,1250 1.34,1251 1.572,1252 1.619,1253 0.825,1254 1.594,1255 1.153,1256 1.064,1257 1.513,1258 1.411,1259 0.683,1260 1.437,1261 1.151,1262 1.057,1263 1.466,1264 1.376,1265 0.541,1266 1.429,1267 0.908,1268 0.851,1269 1.14,1270 1.178,1271 0.197,1272 1.156,1273 0.855,1274 0.802,1275 1.048,1276 1.072,1277 0.18,1278 1.074,1279 4.043,1281 5.361,1283 6.87,1285 8.464,1287 10.101,1289 1.526,1291 26.185,1295 2.135,1296 2.47,1297 5.28,1300 3.205,1305 28.211,1306 80.915,1307 169.354,1308 204.705,1309 211.46,1310 213.46,1311 213.46,1312 69.44,1313 7.002,1314 76.46,1315 76.46,1316 18,1317 12.327,1318 3.459,1319 3,1320 44.351,1321 98,1322 98,1323 0.217,1324 172.731,1325 318.71,1326 413.223,1327 9844,1328 4.5,1329 18.681,1330 0.719,1331 0.545,1332 16.941,1333 14.167,1334 12.436,1335 0.444,1336 0.289,1337 7.876,1338 11.604,1339 7.751,1340 6.336,1341 11.631,1342 8.084,1343 11.436,1344 0.293,1345 0.151,1346 10.307,1347 5.881,1348 9.385,1349 0.192,1350 0.083,1351 8.403,1352 4.071,1353 7.213,1354 0.12,1355 0.043,1356 6.763,1357 2.609,1358 5.827,1359 0.078,1360 0.023,1361 5.441,1362 1.733,1363 0.341,1364 80.514,1365 0.234,1366 25.18,1367 0.593,1368 134,1369 590.697,1370 158.017,1371 502.108,1372 648.79,1373 466,1374 155,1375 446.632,1376 178.404,1377 433.156,1378 632.66,1379 406,1380 5.07}
{0 CHEMBL2151933,1 1.884,2 10.846,3 1.814,4 3.291,5 97.166,6 9.666,7 0.214,8 3.905,9 4.015,10 3.683,11 3.395,12 5.068,13 3.403,14 4.459,15 4.629,16 4.1,17 3.771,18 5.643,19 3.762,20 4.694,21 4.882,22 4.285,23 3.913,24 5.93,25 3.885,26 4.687,27 4.896,28 4.075,29 3.87,30 5.909,31 3.796,32 4.657,33 4.882,34 3.925,35 3.784,36 5.824,37 3.722,38 4.578,39 4.764,40 4.042,41 3.686,42 5.964,43 3.671,44 4.541,45 4.747,46 3.817,47 3.677,48 5.833,49 3.61,50 4.531,51 4.769,52 3.855,53 3.604,54 5.65,55 3.532,56 0.144,57 0.724,58 5.521,59 3.809,60 12.582,61 4.413,62 0.519,63 1.124,64 15.591,65 6.351,66 31.145,67 7.499,68 0.782,69 1.344,70 29.531,71 8.187,72 66.859,73 9.064,74 0.752,75 1.248,76 27.089,77 8.594,78 74.574,79 10.779,80 0.674,81 1.113,82 31.975,83 8.413,84 69.701,85 10.785,86 0.846,87 1.042,88 22.317,89 6.879,90 106.232,91 7.874,92 0.795,93 1.015,94 27.684,95 7.342,96 101.791,97 8.936,98 0.644,99 0.984,100 25.757,101 7.113,102 69.954,103 9.187,104 26,105 39,106 0.329,107 0.688,108 0.828,109 0.847,110 0.847,111 0.847,112 3.304,113 0.951,114 -4.04,115 -3.99,116 -3.78,117 1,119 38.6,121 1,124 1,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 3,175 7,178 1,180 3,183 2,186 1,192 1,195 2,198 5,199 4,202 2,204 1,207 4,211 1,212 2,220 1,223 2,224 6,227 2,229 1,232 1,236 2,237 3,250 6,258 2,262 1,263 2,266 1,271 1,275 1048,276 17.154,277 17.154,278 17.154,279 17.154,280 17.154,281 15.674,282 24.111,283 10.073,284 17.779,285 13.79,286 13.79,287 13.79,288 13.79,289 13.79,290 11.41,291 30.304,292 4.811,293 14.859,294 3.575,295 1.52,296 0.716,297 0.608,298 0.608,299 0.608,300 3.981,304 1,305 1,306 598,307 3,311 273.754,318 1.562,319 39.197,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 58.25,331 282,332 4.362,333 3.779,334 6.443,335 4.019,336 3.075,337 3.875,338 2.03,339 9.93,340 2.902,341 4.222,342 3.578,343 6.036,344 3.767,345 2.843,346 3.726,347 1.475,348 8.594,349 2.624,350 3.826,351 3.278,352 5.957,353 3.588,354 2.664,355 3.036,356 1.056,357 8.364,358 2.453,359 3.685,360 3.128,361 5.409,362 3.379,363 2.417,364 2.848,365 0.86,366 6.983,367 2.295,368 3.433,369 2.857,370 5.101,371 3.013,372 2.04,373 2.646,374 0.849,375 5.981,376 1.934,377 3.199,378 2.39,379 4.619,380 2.709,381 1.796,382 2.329,383 0.267,384 4.752,385 1.681,386 2.955,387 2.314,388 4.496,389 2.695,390 1.7,391 1.951,392 0.193,393 4.529,394 1.619,395 2.82,396 2.081,397 4.04,398 2.308,399 1.414,400 1.948,401 0.034,402 3.522,403 1.175,404 2.258,405 1.676,406 3.559,407 2.027,408 1.155,409 1.221,411 2.732,412 1.001,413 2,414 1.373,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.818,423 1.256,424 3.211,425 1.436,426 0.466,427 0.528,428 1.152,429 0.444,430 1.533,431 0.866,432 2.839,433 1.131,434 0.245,435 0.298,436 0.548,437 0.194,438 1.226,439 0.713,440 2.663,441 0.779,442 -0.18,443 -0.228,445 -0.484,446 -0.144,447 0.96,448 0.353,449 2.389,450 0.498,451 -0.388,452 -0.499,454 -0.988,455 -0.304,456 0.696,457 0.023,458 2.36,459 0.389,460 -0.596,461 -0.677,463 -1.406,464 -0.567,465 12.719,466 0.489,467 0.736,468 0.028,469 30.25,470 1.163,471 12.5,472 0.481,473 17.75,474 0.683,475 23.457,476 0.902,477 28.681,478 0.652,479 23.04,480 0.886,481 6.163,482 0.237,483 6.273,484 0.241,485 0.219,487 0.338,491 1,493 0.697,494 1.387,495 0.491,496 1,497 0.529,498 0.945,499 0.865,500 1.019,501 0.572,502 0.765,503 0.577,504 0.81,505 1.155,506 1.072,507 0.873,508 0.91,509 1.002,510 0.938,511 0.736,512 0.908,513 0.723,514 0.989,515 0.906,516 1.106,517 0.781,518 0.818,519 0.744,520 0.924,521 0.881,522 0.937,523 1.161,524 0.884,525 0.587,526 0.836,527 1.316,528 0.946,529 0.873,530 0.9,531 0.872,532 0.957,533 0.912,534 1.047,535 0.985,536 0.942,537 0.558,538 0.867,539 0.984,540 0.934,541 6,542 0.116,543 3.111,544 1.875,545 1.529,546 0.986,547 0.609,548 0.368,549 0.292,550 0.198,551 7866,552 28369,553 2.014,554 40.9,556 15,559 1,560 2,564 1.691,565 1.857,566 3.418,567 -0.218,568 1,569 1,573 82.915,574 1.884,575 3.94,576 4.743,577 4.851,578 4.851,579 4.851,580 2.869,581 4.316,582 4.673,583 3.553,584 1154.87,585 8.098,586 14560.3,588 1,590 1,591 240.215,592 1.502,593 4.615,594 0.214,595 0.006,596 0.08,597 0.047,598 0.045,599 0.03,600 0.019,601 0.013,602 0.012,603 0.009,604 0.475,605 0.33,606 1,607 0.638,608 127.68,609 -0.066,610 -0.294,611 0.004,612 -0.117,613 -0.028,614 -0.049,615 -0.036,616 -0.018,617 0.032,618 0.089,619 0.029,620 0.084,621 -0.188,622 -0.054,623 -0.014,624 0.005,625 -0.088,626 -0.027,627 0.075,628 0.029,629 -0.017,630 -0.1,631 -0.021,632 -0.151,633 0.011,634 -0.036,635 -0.008,636 -0.033,637 -0.016,638 0.049,639 -0.069,640 -0.008,641 0.017,642 -0.009,643 -0.023,644 -0.061,645 0.047,646 -0.036,647 -0.077,648 -0.052,649 0.069,650 -0.093,651 -0.08,652 -0.076,653 0.082,654 0.005,655 -0.083,656 0.055,657 2.078,658 5.32,659 0.692,660 22.331,661 1.027,662 1.139,663 2.806,664 7.874,665 0.677,666 3.367,667 3.689,668 3.912,669 4.111,670 4.331,671 4.331,672 4.357,673 4.382,674 4.394,675 4.431,676 6.377,677 0.656,678 425.29,679 3.367,680 4.905,681 5.74,682 6.605,683 7.456,684 8.325,685 9.182,686 10.052,687 10.912,688 11.783,689 9.1,692 1,696 2,698 1,704 3,709 3,711 6,730 2,731 44,733 10,734 1,735 28,736 1,737 46,738 17,739 6,740 3,741 3,742 4,746 3,747 3,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,778 1,779 1,781 18,782 8,783 1,784 9,785 1,790 4,791 1,794 1,795 3,812 3,826 1,827 1,831 1,836 1,839 1,840 3,843 1,844 1,846 1,848 26,854 5,855 1,856 1,859 2,869 2,870 6.8,873 2,874 1,877 14,878 8.219,879 5.694,880 2.52,881 1.701,882 1.243,883 0.967,884 6.067,885 8.703,886 3.584,887 4.103,888 4.546,889 5,890 5.426,891 5.529,892 5.557,893 5.706,894 5.712,895 5.99,896 1,897 40,898 9.675,900 4.15,901 8.074,902 17.911,904 14.356,905 2.574,906 66.917,910 200.109,911 91.23,912 86.999,914 61.29,915 14.96,917 137.184,918 261.398,919 56.005,920 8.396,921 37.066,922 37.905,923 73.027,924 37.171,925 14.96,926 200.109,927 45.954,928 200.109,929 132.275,930 76.25,932 45.954,933 215.069,934 50.29,935 11,937 56.976,938 65.823,939 9.476,940 45.954,941 215.069,942 102.335,943 137.184,946 200.109,947 44.929,948 52.55,949 63.965,950 93.035,951 200.109,952 117.295,953 137.184,955 0.587,956 0.339,957 0.17,958 0.096,959 18,960 9,961 0.087,962 4,964 1,965 3.752,966 211.668,968 18,969 118.211,974 19.021,975 8.293,976 4.711,978 117.295,979 4.2,984 0.304,986 18.011,987 454.588,988 35,993 24.531,995 1.462,996 4.473,997 0.334,999 45.2,1000 50.124,1001 0.345,1002 0.722,1003 0.869,1004 0.889,1005 0.889,1006 0.889,1007 4.84,1008 1.414,1009 5.733,1010 4.529,1011 4.369,1012 4.787,1013 2.823,1014 6.518,1015 4.231,1016 6.031,1017 1.155,1018 7.286,1019 3.522,1020 4.007,1021 4.62,1022 1.968,1023 7.341,1024 3.78,1025 7.331,1026 1,1027 8.933,1028 2.732,1029 5.948,1030 6.844,1031 3.554,1032 10.414,1033 5.687,1034 8.658,1035 0.466,1036 10.634,1037 2.136,1038 6.347,1039 7.414,1040 3.445,1041 12.006,1042 5.99,1043 10.014,1044 0.245,1045 12.368,1046 1.152,1047 7.791,1048 9.173,1049 4.627,1050 14.6,1051 7.4,1052 11.387,1053 -0.18,1054 14.124,1055 0.548,1056 8.545,1057 10.092,1058 4.891,1059 16.533,1060 8.063,1061 12.775,1062 -0.388,1063 15.896,1064 -0.484,1065 9.783,1066 11.653,1067 5.87,1068 18.939,1069 9.26,1070 3.075,1071 -0.596,1072 17.68,1073 -0.988,1074 10.71,1075 12.756,1076 6.329,1077 21.039,1078 10.105,1079 2.843,1080 9.93,1081 19.474,1082 -1.406,1083 11.86,1084 14.218,1085 7.195,1086 23.365,1087 11.208,1088 2.664,1089 8.594,1090 21.275,1091 3.875,1092 12.872,1093 15.422,1094 7.76,1095 25.549,1096 12.146,1097 2.417,1098 8.364,1099 23.082,1100 3.726,1101 13.987,1102 16.832,1103 8.562,1104 27.843,1105 13.21,1106 2.04,1107 6.983,1108 24.894,1109 3.036,1110 15.041,1111 18.093,1112 9.186,1113 30.072,1114 14.198,1115 1.796,1116 5.981,1117 26.711,1118 2.848,1119 16.143,1120 19.475,1121 9.95,1122 32.354,1123 15.246,1124 1.7,1125 4.752,1126 28.532,1127 2.646,1128 17.22,1129 20.769,1130 10.608,1131 34.608,1132 16.261,1133 7685,1134 14750,1135 18.205,1136 29.767,1137 42.225,1138 44.304,1139 43.055,1140 41.761,1141 41.628,1142 50.811,1143 13.529,1144 118.444,1145 38.533,1146 5.362,1147 5.779,1148 6.245,1149 5.122,1150 5.075,1151 6.875,1152 3.595,1153 16.851,1154 4.902,1155 14.469,1156 1.508,1157 1.582,1158 1.538,1159 1.491,1160 1.487,1161 1.815,1162 0.483,1163 4.23,1164 1.376,1165 3.96,1166 4,1167 6.88,1168 3.867,1169 8.201,1170 3.859,1171 3.884,1172 3.918,1173 3.893,1174 3.722,1175 7.431,1176 3.749,1177 3.694,1178 3.747,1179 3.775,1180 3.475,1181 7.426,1182 3.493,1183 3.471,1184 3.5,1185 3.583,1186 3.261,1187 4.751,1188 3.286,1189 3.164,1190 3.253,1191 3.392,1192 2.941,1193 4.655,1194 2.935,1195 3.111,1196 3.206,1197 2.999,1198 2.94,1199 4.569,1200 2.91,1201 3.007,1202 3.062,1203 2.942,1204 2.888,1205 3.977,1206 2.837,1207 2.87,1208 2.915,1209 2.866,1210 2.772,1211 3.862,1212 2.768,1213 0.156,1214 0.135,1215 0.23,1216 0.144,1217 0.11,1218 4.362,1219 0.138,1220 3.779,1221 0.072,1222 6.443,1223 0.355,1224 4.019,1225 0.104,1226 3.075,1227 3.875,1228 2.03,1229 9.93,1230 2.902,1231 1.88,1232 1.858,1233 1.961,1234 2.042,1235 1.21,1236 2.019,1237 1.811,1238 1.766,1239 1.931,1240 1.971,1241 1.067,1242 1.967,1243 1.624,1244 1.57,1245 1.813,1246 1.863,1247 0.971,1248 1.852,1249 1.373,1250 1.341,1251 1.57,1252 1.613,1253 0.825,1254 1.592,1255 1.153,1256 1.064,1257 1.513,1258 1.411,1259 0.684,1260 1.437,1261 1.151,1262 1.057,1263 1.465,1264 1.376,1265 0.541,1266 1.429,1267 0.909,1268 0.857,1269 1.135,1270 1.17,1271 0.197,1272 1.154,1273 0.871,1274 0.829,1275 1.043,1276 1.072,1277 0.19,1278 1.053,1279 4.043,1281 5.361,1283 6.87,1285 8.464,1287 10.101,1288 3.078,1289 1.579,1291 13.28,1295 2.377,1296 2.68,1297 5.307,1300 3.313,1305 28.853,1306 82.915,1307 173.354,1308 208.705,1309 213.46,1310 213.46,1311 213.46,1312 60.975,1313 7.002,1314 76.46,1315 76.46,1316 18,1317 12.327,1318 3.459,1319 3,1320 44.351,1321 98,1322 98,1323 0.217,1324 183.446,1325 331.92,1326 439.369,1327 9844,1328 4.5,1329 18.681,1330 0.719,1331 0.606,1332 18.811,1333 15.753,1334 12.436,1335 0.444,1336 0.317,1337 7.95,1338 11.183,1339 7.751,1340 6.336,1341 12.602,1342 8.877,1343 11.436,1344 0.293,1345 0.173,1346 11.757,1347 6.735,1348 9.385,1349 0.192,1350 0.095,1351 9.248,1352 4.679,1353 7.213,1354 0.12,1355 0.05,1356 7.651,1357 2.988,1358 5.827,1359 0.078,1360 0.026,1361 5.903,1362 1.932,1363 0.341,1364 88.019,1365 0.234,1366 25.18,1367 0.593,1368 134,1369 523.24,1370 220.057,1371 502.108,1372 648.79,1373 466,1374 155,1375 427.032,1376 211.78,1377 433.156,1378 632.66,1379 406,1380 5.119}
{0 CHEMBL2151934,1 1.766,2 10.963,3 1.049,4 1.101,5 96.007,6 7.842,7 0.207,8 3.988,9 4.101,10 3.584,11 3.406,12 5.154,13 3.433,14 4.545,15 4.723,16 3.933,17 3.757,18 5.71,19 3.777,20 4.743,21 4.929,22 4.014,23 3.906,24 5.986,25 3.908,26 4.78,27 4.986,28 3.933,29 3.92,30 6.013,31 3.868,32 4.798,33 5.032,34 3.863,35 3.846,36 5.966,37 3.802,38 4.694,39 4.895,40 3.835,41 3.74,42 6.038,43 3.724,44 4.651,45 4.87,46 3.735,47 3.708,48 5.919,49 3.664,50 4.631,51 4.864,52 3.599,53 3.653,54 5.771,55 3.589,56 0.148,57 0.767,58 9.204,59 4,60 12.03,61 5.132,62 0.603,63 1.16,64 19.886,65 6.173,66 37.101,67 8.267,68 0.848,69 1.38,70 24.924,71 7.253,72 70.69,73 9.768,74 0.793,75 1.378,76 26.059,77 8.76,78 75.428,79 11.882,80 0.818,81 1.274,82 28.687,83 8.242,84 87.406,85 11.827,86 0.939,87 1.121,88 24.997,89 6.783,90 112.089,91 9.423,92 0.857,93 1.069,94 24.469,95 6.997,96 106.342,97 9.963,98 0.741,99 1.03,100 24.624,101 7.158,102 82.5,103 10.027,104 27,105 40,106 0.303,107 0.662,108 0.828,109 0.845,110 0.845,111 0.845,112 3.34,113 0.88,114 -3.17,115 -3.17,116 -3.04,119 37.5,121 1,124 2,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 3,175 8,178 1,180 3,183 1,186 1,187 1,192 1,195 1,198 5,199 5,202 3,207 3,211 1,212 2,220 1,223 3,224 6,227 2,229 1,236 2,237 3,249 2,250 4,258 2,262 1,263 2,266 1,271 1,275 1142,276 18.024,277 18.024,278 18.024,279 18.024,280 18.024,281 16.597,282 26.595,283 10.594,284 18.683,285 14.228,286 14.228,287 14.228,288 14.228,289 14.228,290 11.837,291 34.019,292 4.962,293 15.175,294 3.819,295 1.724,296 0.756,297 0.656,298 0.656,299 0.656,300 4.018,304 1,305 1,306 625,307 3.162,311 286.299,318 1.599,319 41.893,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 61.5,331 296,332 4.362,333 3.779,334 6.443,335 4.019,336 3.075,337 3.896,338 2.03,339 9.931,340 2.902,341 4.247,342 3.577,343 6.073,344 3.825,345 2.877,346 3.726,347 1.475,348 8.787,349 2.722,350 3.829,351 3.239,352 6.035,353 3.593,354 2.666,355 3.042,356 1.056,357 8.582,358 2.475,359 3.691,360 3.128,361 5.422,362 3.402,363 2.43,364 2.852,365 0.86,366 7.077,367 2.344,368 3.438,369 2.857,370 5.104,371 3.03,372 2.047,373 2.65,374 0.86,375 6,376 1.988,377 3.202,378 2.39,379 4.619,380 2.712,381 1.796,382 2.331,383 0.849,384 4.755,385 1.692,386 2.955,387 2.314,388 4.496,389 2.697,390 1.703,391 2.02,392 0.267,393 4.529,394 1.619,395 2.883,396 2.143,397 4.204,398 2.454,399 1.53,400 1.95,401 0.193,402 3.835,403 1.402,404 2.258,405 1.676,406 3.559,407 2.027,408 1.155,409 1.221,410 0.034,411 2.732,412 1.001,413 2,414 1.373,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.818,423 1.256,424 3.211,425 1.452,426 0.549,427 0.638,428 1.165,429 0.483,430 1.748,431 0.945,432 2.889,433 1.403,434 0.451,435 0.514,436 0.915,437 0.428,438 1.351,439 0.833,440 2.805,441 1.024,442 0.101,443 0.121,445 0.209,446 0.091,447 1.218,448 0.67,449 2.652,450 0.761,451 -0.233,452 -0.308,454 -0.599,455 -0.224,456 0.749,457 0.224,458 2.364,459 0.404,460 -0.545,461 -0.649,463 -1.287,464 -0.505,465 12.219,466 0.453,467 0.698,468 0.026,469 31.75,470 1.176,471 13,472 0.481,473 18.75,474 0.694,475 22.285,476 0.825,477 30.981,478 0.645,479 26.648,480 0.987,481 6.846,482 0.254,483 6.128,484 0.227,485 0.16,487 0.352,491 1,493 0.736,494 1.478,495 0.71,496 1.342,497 0.543,498 1.074,499 0.976,500 1.014,501 0.833,502 0.886,503 0.612,504 0.823,505 1.118,506 1.088,507 1.06,508 0.957,509 1.007,510 0.966,511 0.763,512 1.03,513 1.024,514 1.17,515 0.954,516 1.181,517 0.944,518 0.95,519 0.938,520 0.996,521 1.092,522 0.966,523 1.05,524 0.898,525 1.091,526 0.974,527 1.237,528 1.022,529 0.867,530 0.893,531 0.976,532 0.964,533 0.926,534 0.991,535 1.022,536 0.934,537 1.042,538 0.999,539 1.177,540 1.026,541 6,542 0.14,543 3.111,544 2,545 1.569,546 1.049,547 0.65,548 0.368,549 0.292,550 0.218,551 8687,552 28470,553 2.014,554 43.8,556 18,559 1,560 2,564 1.701,565 1.862,566 3.447,567 -0.236,568 1,569 1,573 84.781,574 1.766,575 3.861,576 4.829,577 4.929,578 4.929,579 4.929,580 2.89,581 4.431,582 4.728,583 3.597,584 1262.42,585 8.208,586 16432.4,588 1,591 268.078,592 1.487,593 4.672,594 0.207,595 0.007,596 0.078,597 0.048,598 0.042,599 0.03,600 0.02,601 0.012,602 0.011,603 0.009,604 0.464,605 0.33,606 1,607 0.803,608 134.482,609 -0.064,610 -0.333,611 0.055,612 -0.205,613 -0.031,614 -0.069,615 -0.073,616 -0.009,617 0.074,618 0.099,619 0.017,620 0.121,621 -0.138,622 -0.026,623 -0.132,624 0.018,625 -0.068,626 -0.033,627 0.069,628 -0.009,629 -0.106,630 -0.164,631 -0.018,632 -0.194,633 -0.049,634 -0.019,635 0.039,636 -0.027,637 -0.072,638 0.025,639 -0.029,640 -0.006,641 -0.121,642 -0.049,644 -0.096,645 0.047,646 -0.028,647 -0.007,648 -0.007,649 0.084,650 -0.017,651 -0.086,652 -0.051,653 -0.053,654 -0.032,655 -0.133,656 -0.034,657 2.183,658 5.473,659 0.667,660 23.959,661 1.025,662 1.144,663 1.942,664 3.772,665 0.638,666 3.401,667 3.714,668 3.951,669 4.159,670 4.369,671 4.369,672 4.419,673 4.419,674 4.443,675 4.477,676 6.577,677 0.626,678 376.43,679 3.401,680 4.934,681 5.771,682 6.637,683 7.491,684 8.36,685 9.219,686 10.089,687 10.951,688 11.822,689 8.3,692 1,696 2,698 1,704 3,709 3,711 6,729 1,730 1,731 48,733 10,734 1,735 29,737 50,738 18,739 6,740 3,741 3,742 4,746 3,747 3,758 1,761 11,762 7,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 21,782 9,783 1,784 9,790 4,791 1,794 1,795 4,812 3,826 1,827 1,831 1,836 1,839 1,840 3,844 2,846 1,848 27,854 5,855 1,856 2,859 2,869 1,870 8.3,873 2,874 1,875 1,877 14.5,878 9.243,879 6.028,880 2.693,881 1.725,882 1.243,883 0.948,884 6.215,885 8.812,886 3.611,887 4.119,888 4.577,889 5.039,890 5.465,891 5.577,892 5.656,893 5.754,894 5.782,895 6.024,896 1,897 42,898 10.049,900 4.28,901 8.08,902 18.55,904 14.681,905 2.58,906 69.667,910 235.422,911 104.301,912 41.045,914 72.29,915 14.96,917 104.301,918 307.712,919 56.005,920 19.279,921 37.066,922 37.905,923 73.027,924 50.359,925 14.96,926 235.422,928 235.422,929 145.346,930 87.25,933 250.382,934 61.29,935 11,937 56.976,938 78.895,939 9.476,941 250.382,942 113.335,943 104.301,946 235.422,947 47.117,948 63.433,949 18.011,950 104.035,951 235.422,952 128.295,953 104.301,955 0.58,956 0.342,957 0.178,958 0.098,959 18,960 9,961 0.1,962 5,964 1,965 3.831,966 222.619,968 18,969 124.382,974 19.488,975 8.611,976 4.718,978 128.295,979 4.039,984 -0.085,986 18.011,987 468.018,988 36,993 24.622,995 1.456,996 4.474,997 0.27,999 49.182,1000 54.907,1001 0.316,1002 0.691,1003 0.865,1004 0.882,1005 0.882,1006 0.882,1007 4.864,1008 1.53,1009 5.759,1010 4.529,1011 4.394,1012 4.804,1013 2.907,1014 6.547,1015 4.278,1016 6.048,1017 1.155,1018 7.311,1019 3.835,1020 4.007,1021 4.62,1022 1.968,1023 7.387,1024 3.846,1025 7.346,1026 1,1027 8.96,1028 2.732,1029 5.974,1030 6.859,1031 3.585,1032 10.459,1033 5.748,1034 8.673,1035 0.549,1036 10.663,1037 2.136,1038 6.365,1039 7.428,1040 3.445,1041 12.072,1042 6.082,1043 10.029,1044 0.451,1045 12.4,1046 1.165,1047 7.819,1048 9.191,1049 4.635,1050 14.66,1051 7.481,1052 11.404,1053 0.101,1054 14.159,1055 0.915,1056 8.571,1057 10.114,1058 4.891,1059 16.609,1060 8.169,1061 12.794,1062 -0.233,1063 15.934,1064 0.209,1065 9.814,1066 11.675,1067 5.872,1068 19.009,1069 9.359,1070 3.075,1071 -0.545,1072 17.722,1073 -0.599,1074 10.743,1075 12.784,1076 6.329,1077 21.118,1078 10.222,1079 2.877,1080 9.931,1081 19.518,1082 -1.287,1083 11.896,1084 14.248,1085 7.196,1086 23.439,1087 11.322,1088 2.666,1089 8.787,1090 21.322,1091 3.896,1092 12.91,1093 15.458,1094 7.76,1095 25.627,1096 12.272,1097 2.43,1098 8.582,1099 23.132,1100 3.726,1101 14.026,1102 16.87,1103 8.562,1104 27.917,1105 13.334,1106 2.047,1107 7.077,1108 24.947,1109 3.042,1110 15.082,1111 18.137,1112 9.186,1113 30.145,1114 14.328,1115 1.796,1116 6,1117 26.767,1118 2.852,1119 16.185,1120 19.521,1121 9.95,1122 32.424,1123 15.376,1124 1.703,1125 4.755,1126 28.589,1127 2.65,1128 17.263,1129 20.821,1130 10.608,1131 34.675,1132 16.394,1133 8511,1134 15534,1135 18.898,1136 30.631,1137 43.291,1138 45.289,1139 44.491,1140 42.7,1141 42.761,1142 51.922,1143 15.249,1144 121.305,1145 40.184,1146 5.362,1147 5.779,1148 6.245,1149 5.122,1150 5.075,1151 6.896,1152 3.595,1153 16.851,1154 4.902,1155 14.902,1156 1.493,1157 1.562,1158 1.534,1159 1.472,1160 1.475,1161 1.79,1162 0.526,1163 4.183,1164 1.386,1165 3.964,1166 4.004,1167 3.92,1168 3.837,1169 8.201,1170 3.85,1171 3.889,1172 3.923,1173 3.845,1174 3.719,1175 7.431,1176 3.746,1177 3.695,1178 3.747,1179 3.588,1180 3.474,1181 7.426,1182 3.493,1183 3.478,1184 3.508,1185 3.416,1186 3.257,1187 4.799,1188 3.286,1189 3.243,1190 3.308,1191 3.07,1192 2.973,1193 4.739,1194 2.984,1195 3.163,1196 3.253,1197 2.996,1198 2.941,1199 4.569,1200 2.927,1201 3.111,1202 3.206,1203 2.929,1204 2.929,1205 4.391,1206 2.91,1207 2.994,1208 3.052,1209 2.866,1210 2.776,1211 3.974,1212 2.796,1213 0.15,1214 0.13,1215 0.222,1216 0.139,1217 0.106,1218 4.362,1219 0.134,1220 3.779,1221 0.07,1222 6.443,1223 0.342,1224 4.019,1225 0.1,1226 3.075,1227 3.896,1228 2.03,1229 9.931,1230 2.902,1231 1.879,1232 1.856,1233 1.971,1234 2.044,1235 1.21,1236 2.021,1237 1.811,1238 1.766,1239 1.946,1240 1.993,1241 1.061,1242 1.979,1243 1.624,1244 1.57,1245 1.816,1246 1.867,1247 0.97,1248 1.854,1249 1.376,1250 1.343,1251 1.588,1252 1.633,1253 0.825,1254 1.608,1255 1.193,1256 1.121,1257 1.555,1258 1.498,1259 0.684,1260 1.517,1261 1.153,1262 1.064,1263 1.513,1264 1.411,1265 0.574,1266 1.437,1267 1.15,1268 1.056,1269 1.465,1270 1.376,1271 0.541,1272 1.429,1273 0.907,1274 0.848,1275 1.137,1276 1.168,1277 0.197,1278 1.153,1279 4.078,1281 5.389,1283 6.897,1285 8.492,1287 10.131,1289 2.919,1291 13.473,1295 2.324,1296 2.663,1297 10.213,1300 3.298,1305 30.069,1306 84.781,1307 185.323,1308 231.814,1309 236.568,1310 236.568,1311 236.568,1312 64.453,1313 7.087,1314 85.69,1315 85.69,1316 18,1317 12.366,1318 3.459,1319 3,1320 46.997,1321 106,1322 98,1323 0.214,1324 185.121,1325 338.73,1326 443.455,1327 11021,1328 2.1,1329 19.389,1330 0.718,1331 0.563,1332 18.518,1333 15.198,1334 12.974,1335 0.447,1336 0.293,1337 8.283,1338 12.099,1339 8.093,1340 6.662,1341 12.563,1342 8.507,1343 11.627,1344 0.291,1345 0.153,1346 11.11,1347 6.102,1348 9.674,1349 0.19,1350 0.084,1351 9.147,1352 4.303,1353 7.636,1354 0.121,1355 0.044,1356 7.327,1357 2.773,1358 6.09,1359 0.078,1360 0.024,1361 5.854,1362 1.834,1363 0.337,1364 83.991,1365 0.23,1366 26.008,1367 0.582,1368 138,1369 552.321,1370 161.064,1371 486.291,1372 637.77,1373 454,1374 160,1375 443.844,1376 182.757,1377 437.107,1378 636.63,1379 408,1380 5}
{0 CHEMBL2151935,1 1.884,2 10.846,3 1.73,4 2.993,5 94.348,6 8.655,7 0.214,8 3.907,9 4.017,10 3.585,11 3.379,12 5.082,13 3.396,14 4.461,15 4.631,16 3.969,17 3.748,18 5.661,19 3.753,20 4.698,21 4.885,22 4.078,23 3.886,24 5.975,25 3.873,26 4.69,27 4.898,28 3.923,29 3.849,30 5.929,31 3.786,32 4.66,33 4.885,34 3.836,35 3.764,36 5.838,37 3.715,38 4.58,39 4.766,40 3.878,41 3.668,42 5.993,43 3.662,44 4.544,45 4.75,46 3.717,47 3.655,48 5.847,49 3.602,50 4.533,51 4.771,52 3.653,53 3.587,54 5.674,55 3.523,56 0.159,57 0.718,58 7.035,59 3.7,60 13.856,61 4.416,62 0.542,63 1.1,64 16.622,65 6.022,66 32.391,67 7.442,68 0.86,69 1.277,70 25.384,71 7.457,72 78.571,73 8.94,74 0.794,75 1.207,76 24.666,77 8.185,78 78.262,79 10.663,80 0.719,81 1.077,82 26.374,83 7.789,84 75.415,85 10.578,86 0.896,87 1.014,88 21.922,89 6.489,90 115.857,91 7.859,92 0.833,93 0.982,94 22.967,95 6.771,96 107.001,97 8.756,98 0.694,99 0.948,100 23.584,101 6.876,102 73.913,103 9.15,104 26,105 39,106 0.329,107 0.688,108 0.828,109 0.847,110 0.847,111 0.847,112 3.304,113 0.907,114 -3.92,115 -3.88,116 -3.68,119 38.6,121 1,124 1,125 4,135 1,139 1,142 3,144 3,158 3,172 1,174 3,175 7,178 1,180 3,183 2,186 1,192 1,195 2,198 5,199 4,202 2,204 1,207 4,211 1,212 2,220 1,223 2,224 6,227 2,229 1,232 1,236 2,237 3,250 6,258 2,262 1,263 2,266 1,271 1,275 1048,276 17.154,277 17.154,278 17.154,279 17.154,280 17.154,281 15.674,282 24.082,283 10.073,284 17.755,285 13.79,286 13.79,287 13.79,288 13.79,289 13.79,290 11.41,291 30.246,292 4.811,293 14.808,294 3.575,295 1.52,296 0.716,297 0.608,298 0.608,299 0.608,300 3.981,301 1,303 1,304 1,305 1,306 598,307 3,311 273.754,318 1.562,319 41.336,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 58.833,331 282,332 4.362,333 3.779,334 6.443,335 4.019,336 3.075,337 3.875,338 2.03,339 9.93,340 2.902,341 4.222,342 3.578,343 6.036,344 3.772,345 2.843,346 3.726,347 1.475,348 8.594,349 2.636,350 3.826,351 3.296,352 5.957,353 3.589,354 2.664,355 3.036,356 1.056,357 8.364,358 2.457,359 3.685,360 3.128,361 5.409,362 3.381,363 2.417,364 2.848,365 0.86,366 6.983,367 2.305,368 3.433,369 2.857,370 5.101,371 3.014,372 2.04,373 2.646,374 0.849,375 5.981,376 1.943,377 3.199,378 2.39,379 4.619,380 2.709,381 1.796,382 2.329,383 0.267,384 4.752,385 1.682,386 2.955,387 2.314,388 4.496,389 2.695,390 1.7,391 1.951,392 0.193,393 4.529,394 1.619,395 2.82,396 2.112,397 4.04,398 2.319,399 1.414,400 1.948,401 0.034,402 3.522,403 1.217,404 2.258,405 1.676,406 3.559,407 2.027,408 1.155,409 1.221,411 2.732,412 1.001,413 2,414 1.373,415 3.247,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.818,423 1.256,424 3.211,425 1.436,426 0.466,427 0.528,428 1.152,429 0.445,430 1.533,431 0.866,432 2.839,433 1.136,434 0.245,435 0.298,436 0.548,437 0.202,438 1.226,439 0.715,440 2.663,441 0.781,442 -0.18,443 -0.228,445 -0.484,446 -0.154,447 0.96,448 0.361,449 2.389,450 0.513,451 -0.388,452 -0.499,454 -0.988,455 -0.325,456 0.696,457 0.026,458 2.36,459 0.389,460 -0.596,461 -0.677,463 -1.406,464 -0.571,465 12.1,466 0.465,467 0.736,468 0.028,469 30.5,470 1.173,471 12.5,472 0.481,473 18,474 0.692,475 21.825,476 0.839,477 29.3,478 0.666,479 24.672,480 0.949,481 6.434,482 0.247,483 6.002,484 0.231,485 0.179,487 0.355,491 1,493 0.689,494 1.418,495 0.584,496 1.147,497 0.53,498 0.978,499 0.853,500 1.047,501 0.694,502 0.855,503 0.577,504 0.837,505 1.124,506 1.062,507 0.972,508 0.923,509 0.972,510 0.947,511 0.73,512 0.906,513 0.899,514 1.063,515 0.897,516 1.127,517 0.785,518 0.821,519 0.829,520 0.969,521 0.883,522 0.942,523 1.11,524 0.894,525 0.866,526 0.915,527 1.259,528 0.973,529 0.879,530 0.902,531 1.003,532 0.987,533 0.919,534 1.052,535 0.943,536 0.925,537 0.784,538 0.94,539 0.96,540 0.957,541 6,542 0.116,543 3.111,544 1.875,545 1.529,546 0.986,547 0.609,548 0.368,549 0.292,550 0.198,551 7866,552 28369,553 2.014,554 40.9,556 15,559 1,560 2,564 1.691,565 1.857,566 3.418,567 -0.218,568 1,569 1,573 82.915,574 1.884,575 3.94,576 4.743,577 4.851,578 4.851,579 4.851,580 2.869,581 4.316,582 4.673,583 3.553,584 1154.87,585 8.098,586 14560.3,588 1,590 1,591 240.215,592 1.502,593 4.615,594 0.214,595 0.006,596 0.08,597 0.047,598 0.045,599 0.03,600 0.019,601 0.013,602 0.012,603 0.009,604 0.475,605 0.33,606 1,607 0.638,608 127.68,609 -0.066,610 -0.303,611 0.025,612 -0.146,613 -0.029,614 -0.051,615 -0.04,616 -0.037,617 0.058,618 0.074,619 0.028,620 0.077,621 -0.165,622 -0.042,623 -0.078,624 0.011,625 -0.061,626 -0.03,627 0.074,628 0.036,629 -0.057,630 -0.118,631 -0.022,632 -0.158,633 0.002,634 -0.037,635 0.054,636 -0.031,637 -0.025,638 0.056,639 -0.051,640 -0.014,641 -0.044,642 -0.021,643 0.001,644 -0.071,645 0.031,646 -0.036,647 -0.104,648 -0.05,649 0.054,650 -0.089,651 -0.056,652 -0.056,653 0.091,654 0.002,655 -0.072,656 0.05,657 2.23,658 5.292,659 0.692,660 22.331,661 1.029,662 1.142,663 2.691,664 7.239,665 0.665,666 3.367,667 3.689,668 3.912,669 4.111,670 4.331,671 4.331,672 4.357,673 4.382,674 4.394,675 4.431,676 6.377,677 0.651,678 380.84,679 3.367,680 4.905,681 5.74,682 6.605,683 7.456,684 8.325,685 9.182,686 10.052,687 10.912,688 11.783,689 9.1,692 1,696 2,698 1,704 3,709 3,711 6,730 2,731 44,733 10,734 1,735 28,737 46,738 17,739 6,740 3,741 3,742 4,746 3,747 3,748 1,758 1,761 11,762 6,766 4,771 2,773 1,774 1,775 4,777 1,778 1,779 1,781 18,782 8,783 1,784 9,785 1,790 4,791 1,794 1,795 3,812 3,826 1,827 1,831 1,836 1,839 1,840 3,844 1,845 1,846 1,848 26,854 5,855 1,856 1,859 2,869 2,870 6.8,873 2,874 1,877 14,878 8.219,879 5.694,880 2.52,881 1.701,882 1.243,883 0.961,884 5.914,885 8.703,886 3.584,887 4.103,888 4.546,889 5,890 5.426,891 5.529,892 5.557,893 5.706,894 5.712,895 5.99,896 1,897 40,898 9.672,900 4.172,901 8.126,902 17.801,904 14.271,905 2.626,906 68.278,910 200.109,911 91.676,912 41.045,913 39.149,914 61.29,915 14.96,917 91.676,918 300.547,919 56.005,920 8.396,921 37.066,922 37.905,923 73.027,924 37.616,925 14.96,926 200.109,927 39.149,928 200.109,929 132.72,930 76.25,931 39.149,933 215.069,934 50.29,935 11,937 56.976,938 66.269,939 48.625,941 215.069,942 102.335,943 130.824,946 200.109,947 45.374,948 52.55,949 18.011,950 132.184,951 200.109,952 117.295,953 130.824,955 0.587,956 0.339,957 0.17,958 0.096,959 18,960 9,961 0.087,962 4,964 1,965 3.752,966 211.668,968 18,969 118.211,974 18.832,975 8.165,976 4.624,978 117.295,979 3.909,984 -0.273,986 18.011,987 448.228,988 35,993 24.492,995 1.451,996 4.456,997 0.247,999 45.294,1000 50.227,1001 0.345,1002 0.722,1003 0.869,1004 0.889,1005 0.889,1006 0.889,1007 4.84,1008 1.414,1009 5.733,1010 4.529,1011 4.369,1012 4.787,1013 2.823,1014 6.518,1015 4.237,1016 6.031,1017 1.155,1018 7.286,1019 3.522,1020 4.007,1021 4.62,1022 1.968,1023 7.341,1024 3.794,1025 7.331,1026 1,1027 8.933,1028 2.732,1029 5.948,1030 6.844,1031 3.554,1032 10.414,1033 5.695,1034 8.658,1035 0.466,1036 10.634,1037 2.136,1038 6.347,1039 7.414,1040 3.445,1041 12.006,1042 6.005,1043 10.014,1044 0.245,1045 12.368,1046 1.152,1047 7.791,1048 9.173,1049 4.627,1050 14.6,1051 7.411,1052 11.387,1053 -0.18,1054 14.124,1055 0.548,1056 8.545,1057 10.092,1058 4.891,1059 16.533,1060 8.078,1061 12.775,1062 -0.388,1063 15.896,1064 -0.484,1065 9.783,1066 11.653,1067 5.87,1068 18.939,1069 9.273,1070 3.075,1071 -0.596,1072 17.68,1073 -0.988,1074 10.71,1075 12.756,1076 6.329,1077 21.039,1078 10.12,1079 2.843,1080 9.93,1081 19.474,1082 -1.406,1083 11.86,1084 14.218,1085 7.195,1086 23.365,1087 11.223,1088 2.664,1089 8.594,1090 21.275,1091 3.875,1092 12.872,1093 15.422,1094 7.76,1095 25.549,1096 12.162,1097 2.417,1098 8.364,1099 23.082,1100 3.726,1101 13.987,1102 16.832,1103 8.562,1104 27.843,1105 13.225,1106 2.04,1107 6.983,1108 24.894,1109 3.036,1110 15.041,1111 18.093,1112 9.186,1113 30.072,1114 14.213,1115 1.796,1116 5.981,1117 26.711,1118 2.848,1119 16.143,1120 19.475,1121 9.95,1122 32.354,1123 15.261,1124 1.7,1125 4.752,1126 28.532,1127 2.646,1128 17.22,1129 20.769,1130 10.608,1131 34.608,1132 16.276,1133 7685,1134 14750,1135 18.205,1136 29.273,1137 42.225,1138 44.333,1139 43.055,1140 41.724,1141 41.628,1142 50.811,1143 13.529,1144 118.444,1145 38.707,1146 5.362,1147 5.779,1148 6.245,1149 5.122,1150 5.075,1151 6.875,1152 3.595,1153 16.851,1154 4.902,1155 14.469,1156 1.508,1157 1.583,1158 1.538,1159 1.49,1160 1.487,1161 1.815,1162 0.483,1163 4.23,1164 1.382,1165 3.96,1166 4.001,1167 4.026,1168 3.851,1169 8.201,1170 3.855,1171 3.886,1172 3.92,1173 3.874,1174 3.721,1175 7.431,1176 3.748,1177 3.694,1178 3.747,1179 3.595,1180 3.474,1181 7.426,1182 3.493,1183 3.471,1184 3.501,1185 3.467,1186 3.258,1187 4.867,1188 3.285,1189 3.164,1190 3.253,1191 3.254,1192 2.941,1193 4.744,1194 2.934,1195 3.111,1196 3.206,1197 2.998,1198 2.936,1199 4.569,1200 2.91,1201 3.009,1202 3.062,1203 2.93,1204 2.822,1205 4.357,1206 2.825,1207 2.877,1208 2.921,1209 2.866,1210 2.768,1211 3.974,1212 2.758,1213 0.156,1214 0.135,1215 0.23,1216 0.144,1217 0.11,1218 4.362,1219 0.138,1220 3.779,1221 0.072,1222 6.443,1223 0.355,1224 4.019,1225 0.104,1226 3.075,1227 3.875,1228 2.03,1229 9.93,1230 2.902,1231 1.879,1232 1.856,1233 1.963,1234 2.042,1235 1.21,1236 2.019,1237 1.81,1238 1.765,1239 1.938,1240 1.975,1241 1.058,1242 1.969,1243 1.624,1244 1.57,1245 1.814,1246 1.864,1247 0.969,1248 1.852,1249 1.373,1250 1.341,1251 1.571,1252 1.615,1253 0.825,1254 1.592,1255 1.153,1256 1.064,1257 1.513,1258 1.411,1259 0.684,1260 1.437,1261 1.151,1262 1.057,1263 1.465,1264 1.376,1265 0.541,1266 1.429,1267 0.909,1268 0.855,1269 1.137,1270 1.171,1271 0.197,1272 1.155,1273 0.865,1274 0.824,1275 1.044,1276 1.072,1277 0.184,1278 1.053,1279 4.043,1281 5.361,1283 6.87,1285 8.464,1287 10.101,1289 1.565,1290 5.71,1291 13.195,1295 2.314,1296 2.625,1297 5.3,1300 3.285,1305 28.655,1306 82.915,1307 173.354,1308 208.705,1309 213.46,1310 213.46,1311 213.46,1312 62.707,1313 7.002,1314 76.46,1315 76.46,1316 18,1317 12.327,1318 3.459,1319 3,1320 44.351,1321 98,1322 98,1323 0.217,1324 179.865,1325 327.85,1326 430.631,1327 9844,1328 4.5,1329 18.681,1330 0.719,1331 0.574,1332 18.311,1333 14.923,1334 12.436,1335 0.444,1336 0.302,1337 7.931,1338 11.427,1339 7.751,1340 6.336,1341 12.314,1342 8.462,1343 11.436,1344 0.293,1345 0.161,1346 11.349,1347 6.288,1348 9.385,1349 0.192,1350 0.089,1351 8.986,1352 4.361,1353 7.213,1354 0.12,1355 0.046,1356 7.383,1357 2.79,1358 5.827,1359 0.078,1360 0.024,1361 5.737,1362 1.828,1363 0.341,1364 82.823,1365 0.234,1366 25.18,1367 0.593,1368 134,1369 530.789,1370 169.705,1371 502.108,1372 648.79,1373 466,1374 155,1375 430.162,1376 187.42,1377 433.156,1378 632.66,1379 406,1380 5}
{0 CHEMBL2152124,1 1.634,2 15.676,3 4.771,4 22.765,5 143.782,6 7.949,7 0.585,8 4.281,9 4.377,10 4.027,11 3.856,12 5.361,13 3.825,14 4.825,15 4.979,16 4.335,17 4.237,18 6.017,19 4.194,20 5.038,21 5.205,22 4.447,23 4.429,24 6.123,25 4.353,26 5.172,27 5.351,28 4.389,29 4.454,30 6.299,31 4.367,32 5.21,33 5.43,34 4.333,35 4.452,36 6.271,37 4.346,38 5.147,39 5.371,40 4.284,41 4.407,42 6.118,43 4.278,44 5.107,45 5.331,46 4.252,47 4.299,48 6.165,49 4.182,50 5.006,51 5.229,52 4.192,53 4.185,54 6.088,55 4.088,56 0.085,57 0.956,58 15.043,59 6.314,60 17.122,61 7.393,62 0.528,63 1.557,64 26.328,65 9.991,66 57.498,67 11.936,68 0.396,69 1.941,70 38.056,71 14.233,72 42.88,73 16.48,74 0.575,75 2.095,76 43.211,77 15.308,78 88.827,79 17.993,80 0.663,81 2.174,82 42.643,83 15.364,84 86.083,85 19.778,86 0.413,87 2.048,88 41.5,89 15.72,90 56.351,91 20.448,92 0.594,93 1.898,94 41.509,95 14.813,96 75.272,97 18.959,98 0.523,99 1.714,100 37.35,101 12.906,102 69.876,103 16.211,104 21,105 58,106 0.256,107 0.524,108 0.655,109 0.759,110 0.791,111 0.806,112 3.642,113 0.979,114 -3.87,115 -3.83,116 -3.64,119 43.1,124 2,125 4,142 12,143 3,144 3,145 2,146 1,147 1,172 13,174 4,175 5,183 16,186 3,187 14,195 13,199 14,207 7,211 3,212 11,220 4,223 2,224 11,232 2,236 4,237 11,249 2,250 9,262 3,263 10,271 2,275 2648,276 25.374,277 25.374,278 25.374,279 25.374,280 25.374,281 22.362,282 23.387,283 14.746,284 26.169,285 20.083,286 20.083,287 20.083,288 20.083,289 20.083,290 15.418,291 30.536,292 6.773,293 21.188,294 4.388,295 2.683,296 1.848,297 1.186,298 0.977,299 0.885,300 4.348,305 1,306 1267,307 3.606,311 636.031,318 2.351,319 39.47,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 80,331 580,332 4.935,333 4.726,334 7.668,335 4.44,336 3.517,337 4.764,338 0.86,339 13.625,340 3.222,341 4.431,342 3.26,343 6.686,344 4.065,345 3.112,346 4.075,347 0.86,348 10.819,349 2.974,350 4.238,351 2.931,352 6.165,353 3.858,354 2.863,355 3.877,356 0.8,357 9.13,358 2.847,359 3.938,360 2.864,361 5.79,362 3.557,363 2.607,364 3.471,365 0.4,366 7.89,367 2.468,368 3.802,369 2.712,370 5.546,371 3.379,372 2.428,373 3.31,375 6.871,376 2.306,377 3.542,378 2.628,379 5.295,380 3.26,381 2.325,382 2.764,384 6.732,385 2.164,386 3.378,387 2.379,388 5.283,389 3.004,390 2.055,391 2.685,393 6.392,394 1.943,395 3.2,396 1.884,397 4.683,398 2.758,399 1.8,400 2.405,402 4.869,403 1.718,404 2.913,405 1.761,406 4.464,407 2.523,408 1.578,409 2.02,411 4.274,412 1.482,413 2.716,414 1.342,415 4.109,416 2.224,417 1.249,418 1.777,420 3.365,421 1.215,422 2.629,423 1.291,424 3.837,425 2.128,426 1.172,427 1.684,428 2.819,429 1.118,430 2.58,431 1.199,432 3.583,433 2.074,434 1.105,435 1.612,436 2.707,437 1.067,438 2.5,439 1.146,440 3.479,441 2,442 1,443 1.5,445 2.466,446 1,447 2.5,448 1.077,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.367,457 1,458 3.414,459 1.967,460 1,461 1.309,463 2.275,464 0.965,465 17.767,466 0.48,467 0.854,468 0.023,469 52.75,470 1.426,471 28.5,472 0.77,473 24.25,474 0.655,475 29.912,476 0.808,477 39.233,478 0.604,479 44.557,480 1.204,481 10.519,482 0.284,483 7.471,484 0.202,485 0.094,486 0.047,487 0.27,493 0.658,494 1.411,495 0.784,496 1.244,497 0.66,498 0.973,499 1.072,500 0.93,501 0.863,502 0.779,503 0.679,504 0.796,505 0.986,506 1.074,507 1.248,508 1.183,509 0.818,510 1.002,511 1.367,512 1.188,513 1.297,514 1.177,515 1.796,516 1.121,517 0.987,518 0.959,519 0.985,520 0.909,521 1.398,522 1.003,523 0.663,524 1.093,525 0.985,526 1.113,527 0.756,528 1.099,529 0.849,530 1.067,531 0.971,532 1.06,533 1.004,534 1.023,535 1.039,536 1.041,537 0.934,538 0.995,539 1.168,540 0.957,541 7.5,542 0.215,543 5.333,544 2.625,545 1.689,546 1.583,547 1.026,548 0.679,549 0.529,550 0.354,551 22715,552 62133,553 2.11,554 43.1,556 26,558 2,564 1.779,565 1.991,566 3.883,567 -0.751,573 106.242,574 1.634,575 3.34,576 4.174,577 4.836,578 5.045,579 5.138,580 3.386,581 4.757,582 5.177,583 4.039,584 2689.68,585 9.1,586 44371,591 391.454,592 1.444,593 5.144,594 0.183,595 0.006,596 0.092,597 0.041,598 0.029,599 0.028,600 0.02,601 0.014,602 0.012,603 0.008,604 0.433,605 0.33,606 0.75,607 0.715,608 205.422,609 0.077,610 -0.267,611 0.199,612 -0.144,613 -0.112,614 -0.021,615 0.031,616 0.179,617 0.073,618 0.184,619 0.176,620 0.113,621 -0.061,622 0.026,623 -0.097,624 -0.065,625 0.048,626 -0.03,627 -0.228,628 -0.156,629 -0.233,630 -0.141,631 -0.243,632 -0.165,633 -0.07,634 0.056,635 -0.062,636 0.024,637 -0.159,638 -0.037,639 0.049,640 -0.1,641 0.007,642 -0.102,643 0.023,644 -0.084,645 0.11,646 -0.096,647 0.072,648 -0.048,649 0.088,650 -0.021,651 0.019,652 -0.055,653 0.102,654 -0.009,655 0.034,656 0.025,657 4.566,658 6.511,659 0.811,660 46.614,661 1.006,662 1.119,663 2.643,664 6.984,665 0.687,666 3.738,667 4.078,668 4.382,669 4.605,670 4.868,671 4.956,672 5.13,673 5.209,674 5.333,675 5.407,676 8.597,677 0.653,678 516.67,679 3.738,680 5.293,681 6.159,682 7.043,683 7.925,684 8.814,685 9.701,686 10.594,687 11.484,688 12.378,689 6.2,692 1,695 1,699 2,704 14,705 2,709 8,711 24,726 1,729 2,731 65,733 26,734 3,735 41,737 69,738 28,739 22,740 6,741 12,746 5,747 5,761 22,762 6,766 2,769 1,771 2,781 28,782 8,784 9,785 1,790 4,794 1,795 4,802 1,812 5,840 5,842 1,844 2,848 37,852 1,854 4,856 2,859 2,870 6.2,873 2,875 2,877 18.583,878 12.3,879 8.194,880 3.696,881 4.534,882 1.529,883 1.002,884 7.425,885 13.097,886 4.025,887 4.644,888 5.218,889 5.745,890 6.308,891 6.532,892 6.959,893 7.237,894 7.58,895 7.85,896 0.909,897 64,898 13.938,900 6.17,901 7.75,902 26.215,904 21.695,905 2.25,906 83.25,910 329.591,911 194.485,912 38.214,914 66.313,916 5.807,917 188.678,918 395.904,919 38.214,920 21.766,921 8.423,922 119.522,923 101.426,924 69.089,925 2.328,926 306.049,928 329.591,929 226.892,930 66.313,931 5.807,933 329.591,934 66.313,937 30.793,938 162.528,939 39.378,941 329.591,942 104.527,943 194.485,945 5.807,946 329.591,947 35.102,948 158.219,950 99.884,951 329.591,952 104.527,953 194.485,955 0.582,956 0.355,957 0.183,958 0.1,959 28,960 12,961 0.101,962 7,964 1,965 4.711,966 363.465,968 30,969 178.75,973 1,974 25.218,975 10.894,976 5.325,978 104.527,979 25.641,980 9.139,984 5.997,987 628.603,988 55,991 -3.649,993 27.022,999 65.396,1000 72.733,1001 0.271,1002 0.555,1003 0.693,1004 0.803,1005 0.838,1006 0.853,1007 5.268,1008 1.8,1009 6.163,1010 6.392,1011 4.762,1012 5.333,1013 1.656,1014 7.024,1015 4.662,1016 6.491,1017 1.578,1018 7.762,1019 4.869,1020 4.443,1021 5.263,1022 0.325,1023 8.228,1024 4.261,1025 7.828,1026 1.249,1027 9.478,1028 4.274,1029 6.438,1030 7.605,1031 1.308,1032 11.308,1033 6.229,1034 9.211,1035 1.172,1036 11.27,1037 3.365,1038 6.986,1039 8.398,1040 0.268,1041 13.399,1042 6.677,1043 10.633,1044 1.105,1045 13.114,1046 2.819,1047 8.459,1048 10.231,1049 1.064,1050 16.094,1051 8.121,1052 12.086,1053 1,1054 14.997,1055 2.707,1056 9.387,1057 11.41,1058 0.188,1059 18.508,1060 8.943,1061 13.561,1062 1,1063 16.909,1064 2.466,1065 10.679,1066 13.053,1067 0.862,1068 21.117,1069 10.188,1070 3.517,1071 1,1072 18.844,1073 2.275,1074 11.775,1075 14.417,1076 0.125,1077 23.648,1078 11.182,1079 3.112,1080 13.625,1081 20.797,1082 2.275,1083 13.011,1084 15.988,1085 0.69,1086 26.243,1087 12.352,1088 2.863,1089 10.819,1090 22.765,1091 4.764,1092 14.182,1093 17.443,1094 0.082,1095 28.818,1096 13.423,1097 2.607,1098 9.13,1099 24.744,1100 4.075,1101 15.407,1102 18.99,1103 0.544,1104 31.416,1105 14.569,1106 2.428,1107 7.89,1108 26.734,1109 3.877,1110 16.612,1111 20.49,1112 0.054,1113 34.008,1114 15.677,1115 2.325,1116 6.871,1117 28.731,1118 3.471,1119 17.84,1120 22.032,1121 0.424,1122 36.61,1123 16.817,1124 2.055,1125 6.732,1126 30.736,1127 3.31,1128 19.063,1129 23.557,1130 0.035,1131 39.212,1132 17.944,1133 21301,1134 35420,1135 27.622,1136 44.625,1137 61.684,1138 62.844,1139 63.362,1140 61.569,1141 61.602,1142 81.74,1143 5.84,1144 180.633,1145 58.555,1146 5.935,1147 6.726,1148 7.347,1149 5.513,1150 5.517,1151 7.764,1152 1.72,1153 21.634,1154 5.222,1155 16.821,1156 1.504,1157 1.533,1158 1.545,1159 1.502,1160 1.502,1161 1.994,1162 0.142,1163 4.406,1164 1.428,1165 4.125,1166 4.124,1167 4.743,1168 4.1,1169 7.715,1170 4.034,1171 3.98,1172 4.008,1173 3.954,1174 3.893,1175 6.999,1176 3.898,1177 3.904,1178 3.917,1179 3.903,1180 3.84,1181 5.014,1182 3.804,1183 3.766,1184 3.801,1185 3.704,1186 3.626,1187 4.89,1188 3.638,1189 3.651,1190 3.697,1191 3.607,1192 3.522,1193 4.817,1194 3.515,1195 3.459,1196 3.457,1197 3.46,1198 3.327,1199 4.662,1200 3.285,1201 3.242,1202 3.307,1203 3.075,1204 2.986,1205 4.346,1206 2.995,1207 3.234,1208 3.298,1209 3.067,1210 2.981,1211 4.317,1212 2.989,1213 0.12,1214 0.115,1215 0.187,1216 0.108,1217 0.086,1218 4.935,1219 0.116,1220 4.726,1221 0.021,1222 7.668,1223 0.332,1224 4.44,1225 0.079,1226 3.517,1227 4.764,1228 0.86,1229 13.625,1230 3.222,1231 2.022,1232 2.02,1233 2.073,1234 2.102,1235 1.335,1236 2.122,1237 1.941,1238 1.914,1239 2.03,1240 2.053,1241 1.202,1242 2.051,1243 1.839,1244 1.83,1245 1.938,1246 1.967,1247 1.102,1248 1.978,1249 1.728,1250 1.682,1251 1.862,1252 1.866,1253 0.989,1254 1.874,1255 1.594,1256 1.552,1257 1.719,1258 1.778,1259 0.825,1260 1.772,1261 1.316,1262 1.329,1263 1.565,1264 1.518,1265 0.717,1266 1.544,1267 1.192,1268 1.121,1269 1.562,1270 1.497,1271 0.586,1272 1.519,1273 1.184,1274 1.116,1275 1.513,1276 1.45,1277 0.569,1278 1.487,1279 4.419,1281 5.753,1283 7.3,1285 8.934,1287 10.61,1289 3.248,1295 1.736,1297 10.485,1300 3.631,1305 42.453,1306 106.242,1307 217.074,1308 271.315,1309 314.334,1310 327.944,1311 333.944,1312 71.02,1313 8.563,1314 84.86,1315 93.24,1316 30,1317 12.905,1318 4.755,1319 3.907,1320 56.969,1321 192,1322 212,1323 0.144,1324 261.553,1325 453.55,1326 629.95,1327 76627,1329 25.83,1330 0.698,1331 0.583,1332 26.08,1333 21.558,1334 17.99,1335 0.439,1336 0.326,1337 11.871,1338 16.456,1339 11.443,1340 9.479,1341 18.779,1342 13.384,1343 16.047,1344 0.277,1345 0.182,1346 17.366,1347 10.542,1348 14.281,1349 0.181,1350 0.106,1351 15.609,1352 8.37,1353 11.408,1354 0.115,1355 0.06,1356 12.494,1357 5.892,1358 9.412,1359 0.073,1360 0.033,1361 10.393,1362 4.267,1363 0.231,1364 121.092,1365 0.19,1366 34.012,1367 0.382,1368 198,1369 596.383,1370 256.278,1371 590.894,1372 812.68,1373 552,1374 236,1375 571.871,1376 302.956,1377 618.658,1378 903.39,1379 579,1380 6.018}
{0 CHEMBL2152125,1 1.701,2 8.682,3 0.374,4 0.14,5 80.381,6 8.716,7 0.708,8 3.682,9 3.823,10 3.367,11 3.146,12 4.999,13 3.185,14 4.103,15 4.274,16 3.69,17 3.489,18 5.406,19 3.513,20 4.222,21 4.396,22 3.708,23 3.565,24 5.549,25 3.567,26 4.286,27 4.472,28 3.681,29 3.53,30 5.669,31 3.537,32 4.275,33 4.487,34 3.574,35 3.481,36 5.5,37 3.48,38 4.19,39 4.409,40 3.447,41 3.381,42 5.432,43 3.361,44 4.12,45 4.36,46 3.3,47 3.224,48 5.349,49 3.192,50 3.942,51 4.19,52 3.098,53 3.007,54 5.123,55 2.971,56 0.165,57 0.606,58 5.205,59 2.206,60 11.694,61 2.649,62 0.299,63 0.861,64 9.422,65 3.548,66 23.5,67 4.578,68 0.32,69 0.91,70 11.083,71 4.419,72 31.256,73 5.693,74 0.442,75 0.909,76 12.482,77 4.03,78 52.972,79 5.18,80 0.388,81 0.877,82 13.243,83 3.718,84 37.515,85 5.007,86 0.352,87 0.788,88 12.242,89 3.71,90 32.276,91 5.062,92 0.379,93 0.675,94 12.725,95 3.7,96 37.062,97 5.178,98 0.281,99 0.546,100 10.993,101 3.175,102 26.809,103 4.677,104 12,105 33,106 0.309,107 0.719,108 0.834,109 0.877,110 0.888,111 0.888,112 3.147,113 0.797,114 -3.45,115 -3.43,116 -3.28,119 38.2,124 1,142 4,143 2,145 1,146 2,147 1,149 1,158 1,163 1,164 1,165 1,166 1,168 2,172 6,174 2,175 3,177 1,178 3,183 6,186 2,187 8,189 1,190 2,192 1,195 3,198 1,199 10,201 1,202 2,203 1,204 2,206 1,212 8,217 4,222 1,223 2,224 4,229 5,234 2,236 3,237 2,240 1,242 4,247 2,249 1,250 1,253 1,255 2,260 1,262 2,265 2,266 4,275 610,276 15.008,277 15.008,278 15.008,279 15.008,280 15.008,281 12.921,282 7.52,283 8.833,284 15.264,285 11.765,286 11.765,287 11.765,288 11.765,289 11.765,290 8.592,291 6.637,292 4.083,293 12.119,294 3.386,295 1.128,296 0.493,297 0.257,298 0.199,299 0.199,300 3.825,304 1,305 1,306 406,307 2.646,310 58.339,311 141.207,318 1.347,319 22.171,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 49,331 191,332 4.43,333 3.583,334 6.453,335 4.032,336 3.06,337 4.117,338 1.058,339 9.959,340 2.973,341 4.256,342 2.973,343 6.225,344 3.864,345 2.887,346 3.88,348 9.302,349 2.819,350 3.945,351 2.739,352 5.974,353 3.573,354 2.594,355 3.433,357 8.438,358 2.533,359 3.438,360 2.447,361 4.879,362 2.977,363 2.006,364 2.806,366 5.239,367 1.936,368 3.287,369 1.886,370 4.62,371 2.831,372 1.859,373 2.532,375 4.872,376 1.802,377 2.873,378 1.429,379 4.194,380 2.399,381 1.414,382 2.038,384 3.699,385 1.391,386 2.593,387 1.316,388 3.815,389 2.097,390 1.129,391 1.637,393 2.764,394 1.095,395 2.578,396 1.115,397 3.488,398 2.053,399 1.107,400 1.571,402 2.549,403 1.039,404 2.28,405 1.087,406 3.243,407 1.762,408 0.789,409 1.173,411 1.905,412 0.766,413 2.118,414 0.79,415 3,416 1.591,417 0.618,418 0.927,420 1.372,421 0.6,422 1.484,423 0.618,424 2.711,425 1.216,426 0.259,427 0.297,428 0.379,429 0.244,430 1.272,431 0.18,432 2.575,433 0.854,434 -0.108,435 -0.139,436 -0.226,437 -0.103,438 0.788,439 -0.469,440 2.267,441 0.35,442 -0.64,443 -0.874,445 -1.566,446 -0.633,447 0.677,448 -0.656,449 2.158,450 0.212,451 -0.779,452 -1.068,454 -2.273,455 -0.766,456 0.582,457 -0.805,458 1.821,459 0.094,460 -0.88,461 -1.245,463 -2.499,464 -0.854,465 10.033,466 0.456,467 0.486,468 0.022,469 32.5,470 1.477,471 18,472 0.818,473 14.5,474 0.659,475 12.744,476 0.579,477 22.967,478 0.675,479 23.318,480 1.06,481 6.763,482 0.307,483 3.923,484 0.178,485 0.123,487 0.349,493 0.775,494 1.092,495 0.687,496 0.9,497 0.74,498 0.785,499 0.693,500 0.994,501 0.692,502 0.874,503 0.626,504 0.792,505 0.774,506 1.109,507 0.805,508 1.117,509 0.864,510 1.005,511 1.153,512 1.124,513 1.06,514 1.067,515 1.267,516 1.058,517 1.322,518 1.159,519 1.13,520 1.001,521 1.167,522 1.007,523 1.097,524 1.083,525 1.13,526 1.11,527 1.007,528 1.119,529 1.045,530 0.922,531 1.06,532 1.052,533 1.181,534 1.069,535 0.938,536 1.159,537 0.952,538 1.198,539 1.037,540 1.108,541 4,542 0.06,543 2.889,544 1.09,545 0.966,546 0.861,547 0.334,548 0.222,549 0.238,550 0.117,551 4737,552 16329,553 2.07,554 35.3,556 7,558 1,559 4,564 1.647,565 1.941,566 3.152,567 2.004,569 1,573 57.848,574 1.701,575 3.959,576 4.595,577 4.83,578 4.889,579 4.889,580 2.534,581 3.823,582 4.433,583 3.26,584 753.102,585 7.624,586 8195.92,588 1,591 172.974,592 1.395,593 4.392,594 0.167,595 0.008,596 0.088,597 0.033,598 0.031,599 0.031,600 0.014,601 0.011,602 0.015,603 0.01,604 0.406,605 0.5,606 1,607 1,608 100.4,609 -0.017,610 0.126,611 0.015,612 0.087,613 -0.129,614 0.064,615 0.114,616 0.131,617 0.112,618 0.125,619 0.053,620 0.121,621 0.087,622 -0.05,623 0.044,624 -0.07,625 0.072,626 -0.036,627 -0.094,628 -0.099,629 -0.165,630 -0.091,631 -0.054,632 -0.14,633 -0.355,634 -0.164,635 -0.194,636 -0.042,637 -0.217,638 -0.064,639 -0.186,640 -0.101,641 -0.18,642 -0.137,643 -0.108,644 -0.15,645 -0.029,646 -0.02,647 -0.019,648 -0.072,649 -0.097,650 -0.054,651 0.029,652 -0.299,653 0.124,654 -0.197,655 -0.024,656 -0.05,657 2.054,658 4.745,659 0.773,660 16.041,661 1.027,662 1.148,663 2.224,664 4.948,665 0.677,666 3.219,667 3.526,668 3.807,669 4.025,670 4.19,671 4.248,672 4.344,673 4.407,674 4.443,675 4.443,676 5.317,677 0.675,678 296.33,679 3.219,680 4.745,681 5.595,682 6.463,683 7.33,684 8.203,685 9.074,686 9.949,687 10.822,688 11.698,689 23.5,693 1,696 1,697 1,699 5,704 5,705 5,706 1,709 6,711 17,718 1,722 1,731 34,733 18,734 1,735 24,737 36,738 13,739 11,740 2,741 4,742 1,746 3,747 3,761 12,762 1,766 1,771 1,775 1,777 1,778 1,781 12,782 8,783 4,784 9,790 8,794 1,795 1,802 1,811 1,812 2,840 3,844 1,848 22,849 1,855 1,870 2.9,873 1,877 11.333,878 6.417,879 4.944,880 1.783,881 3.154,882 1.465,883 0.999,884 3.768,885 9.934,886 3.541,887 4.147,888 4.761,889 5.333,890 5.812,891 6.132,892 6.571,893 6.941,894 7.299,895 7.623,896 0.833,897 33,898 8.014,900 3.366,901 7.985,902 14.694,904 11.464,905 2.485,906 54.667,910 94.169,911 76.594,912 150.886,914 25.145,917 76.594,918 119.314,919 150.886,920 8.396,921 18.011,922 70.802,923 125.058,924 39.8,925 2.328,926 82.398,928 94.169,929 227.48,930 25.145,933 96.497,934 25.145,937 49.112,938 92.602,939 83.438,941 94.169,942 176.031,943 76.594,946 94.169,947 21.245,948 55.349,949 34.551,950 141.48,951 94.169,952 176.031,953 76.594,955 0.576,956 0.349,957 0.184,958 0.092,959 16,960 7,961 0.083,962 3,964 1,965 3.402,966 171.793,968 17,969 96.107,974 14.108,975 5.876,976 2.807,978 159.49,979 8.866,980 19.656,981 2.418,984 2.698,986 67.448,987 346.794,988 33.5,993 11.745,997 -0.388,999 34.909,1000 39.026,1001 0.334,1002 0.778,1003 0.903,1004 0.949,1005 0.961,1006 0.961,1007 4.747,1008 1.107,1009 5.572,1010 2.764,1011 4.205,1012 4.832,1013 1.176,1014 6.375,1015 4.147,1016 5.959,1017 0.789,1018 7.13,1019 2.549,1020 3.761,1021 4.543,1023 7.273,1024 3.689,1025 7.263,1026 0.618,1027 8.79,1028 1.905,1029 5.79,1030 7.03,1031 1.255,1032 10.357,1033 5.679,1034 8.606,1035 0.259,1036 10.509,1037 1.372,1038 6.196,1039 7.59,1041 12.068,1042 6.066,1043 9.98,1044 -0.108,1045 12.266,1046 0.379,1047 7.662,1048 9.49,1049 1.338,1050 14.642,1051 7.5,1052 11.375,1053 -0.64,1054 14.046,1055 -0.226,1056 8.441,1057 10.446,1059 16.669,1060 8.255,1061 12.787,1062 -0.779,1063 15.844,1064 -1.566,1065 9.685,1066 12.09,1067 1.422,1068 19.059,1069 9.471,1070 3.06,1071 -0.88,1072 17.652,1073 -2.273,1074 10.635,1075 13.25,1077 21.221,1078 10.394,1079 2.887,1080 9.959,1081 19.469,1082 -2.499,1083 11.788,1084 14.77,1085 1.51,1086 23.538,1087 11.52,1088 2.594,1089 9.302,1090 21.292,1091 4.117,1092 12.815,1093 16.037,1095 25.759,1096 12.519,1097 2.006,1098 8.438,1099 23.12,1100 3.88,1101 13.933,1102 17.496,1103 1.599,1104 28.048,1105 13.609,1106 1.859,1107 5.239,1108 24.951,1109 3.433,1110 14.996,1111 18.821,1113 30.297,1114 14.644,1115 1.414,1116 4.872,1117 26.785,1118 2.806,1119 16.1,1120 20.25,1121 1.69,1122 32.577,1123 15.72,1124 1.129,1125 3.699,1126 28.621,1127 2.532,1128 17.181,1129 21.607,1131 34.84,1132 16.773,1133 4658,1134 8772,1135 16.008,1136 23.023,1137 35.852,1138 36.723,1139 36.78,1140 35.432,1141 35.445,1142 48.822,1143 2.117,1144 100.954,1145 34.395,1146 5.161,1147 5.583,1148 6.052,1149 5.101,1150 5.06,1151 7.117,1152 2.117,1153 16.504,1154 4.973,1155 10.065,1156 1.494,1157 1.53,1158 1.532,1159 1.476,1160 1.477,1161 2.034,1162 0.088,1163 4.206,1164 1.433,1165 4.019,1166 4.06,1167 3.986,1168 3.924,1169 7.429,1170 3.931,1171 3.831,1172 3.897,1173 3.809,1174 3.638,1175 5.271,1176 3.671,1177 3.64,1178 3.715,1179 3.593,1180 3.323,1181 5.179,1182 3.388,1183 3.43,1184 3.516,1185 3.323,1186 3.156,1187 4.757,1188 3.185,1189 3.057,1190 3.142,1191 2.937,1192 2.881,1193 4.518,1194 2.881,1195 2.917,1196 2.989,1197 2.743,1198 2.67,1199 4.187,1200 2.674,1201 2.829,1202 2.898,1203 2.706,1204 2.614,1205 3.936,1206 2.638,1207 2.675,1208 2.768,1209 2.5,1210 2.432,1211 3.748,1212 2.441,1213 0.185,1214 0.149,1215 0.269,1216 0.168,1217 0.128,1218 4.43,1219 0.172,1220 3.583,1221 0.044,1222 6.453,1223 0.415,1224 4.032,1225 0.124,1226 3.06,1227 4.117,1228 1.058,1229 9.959,1230 2.973,1231 1.951,1232 1.927,1233 2.031,1234 2.055,1235 1.136,1236 2.044,1237 1.709,1238 1.671,1239 1.793,1240 1.89,1241 0.775,1242 1.869,1243 1.364,1244 1.285,1245 1.646,1246 1.666,1247 0.644,1248 1.661,1249 1.184,1250 1.118,1251 1.305,1252 1.619,1253 0.317,1254 1.529,1255 1.058,1256 0.954,1257 1.25,1258 1.386,1259 0.257,1260 1.343,1261 1.008,1262 0.913,1263 1.188,1264 1.26,1265 0.023,1266 1.257,1267 0.811,1268 0.742,1269 1.063,1270 1.16,1272 1.139,1273 0.689,1274 0.589,1275 1,1276 0.945,1278 0.972,1279 3.892,1281 5.198,1282 2.398,1283 6.706,1284 4.443,1285 8.301,1286 6.293,1287 9.944,1289 1.507,1293 5.684,1296 2.481,1305 22.94,1306 57.848,1307 134.609,1308 156.219,1309 164.219,1310 166.219,1311 166.219,1312 32.009,1313 6.78,1314 135.36,1315 135.36,1316 17,1317 12.237,1318 4.248,1319 3.392,1320 34.387,1321 70,1322 64,1323 0.245,1324 145.295,1325 236.71,1326 346.279,1327 6979,1329 15.527,1330 0.706,1331 0.528,1332 15.527,1333 11.608,1334 10.686,1335 0.445,1336 0.266,1337 6.239,1338 10.104,1339 6.115,1340 5.122,1341 10.686,1342 6.376,1343 9.331,1344 0.283,1345 0.133,1346 9.331,1347 4.384,1348 8.162,1349 0.185,1350 0.068,1351 8.162,1352 3.005,1353 6.467,1354 0.118,1355 0.035,1356 6.467,1357 1.925,1358 4.859,1359 0.075,1360 0.019,1361 4.859,1362 1.219,1363 0.376,1364 68.31,1365 0.25,1366 21.487,1367 0.695,1368 114,1369 395.939,1370 128.842,1371 387.432,1372 529.6,1373 360,1374 134,1375 401.466,1376 149.815,1377 404.118,1378 583.2,1379 378,1380 6.277}
{0 CHEMBL2152126,1 1.637,2 15.135,3 3.994,4 15.952,5 146.358,6 7.814,7 0.585,8 4.291,9 4.408,10 4.02,11 3.865,12 5.367,13 3.827,14 4.835,15 5.01,16 4.349,17 4.266,18 6.029,19 4.21,20 5.09,21 5.281,22 4.448,23 4.465,24 6.154,25 4.373,26 5.229,27 5.434,28 4.393,29 4.473,30 6.332,31 4.375,32 5.228,33 5.46,34 4.335,35 4.438,36 6.289,37 4.334,38 5.12,39 5.345,40 4.285,41 4.383,42 6.103,43 4.262,44 5.107,45 5.345,46 4.25,47 4.296,48 6.221,49 4.177,50 5.007,51 5.249,52 4.195,53 4.206,54 6.051,55 4.098,56 0.089,57 1.06,58 15.761,59 6.008,60 19.959,61 7.537,62 0.476,63 1.699,64 26.661,65 9.984,66 59.141,67 12.978,68 0.327,69 2.111,70 40.52,71 14.604,72 45.078,73 18.095,74 0.511,75 2.225,76 46.96,77 15.801,78 95.163,79 19.831,80 0.661,81 2.196,82 44.497,83 14.906,84 90.308,85 19.806,86 0.338,87 2.043,88 40.877,89 14.312,90 55.666,91 19.372,92 0.685,93 1.936,94 39.767,95 13.59,96 95.825,97 18.581,98 0.388,99 1.791,100 36.974,101 12.227,102 58.256,103 16.662,104 27,105 59,106 0.256,107 0.565,108 0.722,109 0.803,110 0.814,111 0.814,112 3.642,113 0.996,114 -4.15,115 -4.1,116 -3.87,119 40.9,120 2,122 1,125 4,142 8,143 4,144 1,145 4,146 1,147 1,150 1,163 1,164 1,165 1,172 14,174 5,175 3,177 2,178 2,183 17,186 3,187 12,195 12,199 16,204 1,207 6,209 1,211 3,212 13,217 1,220 2,222 1,223 1,224 8,229 2,234 2,236 8,237 8,242 1,247 1,249 2,250 12,255 1,260 1,263 9,265 3,266 3,271 2,275 2555,276 24.841,277 24.841,278 24.841,279 24.841,280 24.841,281 21.801,282 22.773,283 14.385,284 25.435,285 20.196,286 20.196,287 20.196,288 20.196,289 20.196,290 15.575,291 26.675,292 6.754,293 21.17,294 4.408,295 2.43,296 1.428,297 0.913,298 0.841,299 0.841,300 4.345,305 1,306 1223,307 3.742,311 634.714,318 2.308,319 41.117,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 79.5,331 560,332 4.935,333 4.726,334 7.668,335 4.44,336 3.517,337 4.764,338 0.8,339 13.625,340 3.222,341 4.434,342 3.261,343 6.686,344 4.07,345 3.114,346 4.079,347 0.4,348 10.82,349 2.986,350 4.233,351 2.985,352 6.164,353 3.844,354 2.858,355 3.872,357 9.124,358 2.822,359 4.031,360 2.87,361 5.939,362 3.735,363 2.747,364 3.533,366 8.262,367 2.711,368 3.76,369 2.682,370 5.746,371 3.406,372 2.453,373 3.279,375 7.676,376 2.328,377 3.615,378 2.445,379 5.538,380 3.263,381 2.335,382 2.847,384 6.579,385 2.169,386 3.368,387 2.348,388 5.041,389 3.01,390 2.065,391 2.661,393 6.016,394 1.941,395 3.219,396 1.894,397 4.716,398 2.79,399 1.827,400 2.415,402 4.929,403 1.755,404 2.908,405 1.713,406 4.444,407 2.519,408 1.571,409 2.012,411 4.263,412 1.48,413 2.729,414 1.38,415 4.104,416 2.345,417 1.367,418 1.81,420 3.356,421 1.336,422 2.688,423 1.281,424 3.915,425 2.195,426 1.22,427 1.737,428 3.117,429 1.187,430 2.576,431 1.15,432 3.685,433 2.084,434 1.1,435 1.607,436 2.705,437 1.081,438 2.5,439 1.146,440 3.564,441 2,442 1,443 1.5,445 2.495,446 1,447 2.5,448 1.069,449 3.477,450 1.976,451 1,452 1.5,454 2.462,455 0.974,456 2.384,457 1,458 3.414,459 1.967,460 1,461 1.339,463 2.275,464 0.965,465 17.8,466 0.481,467 1.019,468 0.028,469 52.5,470 1.419,471 28,472 0.757,473 24.5,474 0.662,475 31.752,476 0.858,477 39.2,478 0.594,479 43.573,480 1.178,481 9.887,482 0.267,483 7.937,484 0.215,485 0.116,486 0.047,487 0.298,493 0.639,494 1.429,495 0.811,496 1.211,497 0.732,498 0.963,499 0.719,500 0.925,501 0.808,502 0.83,503 0.546,504 0.843,505 0.917,506 1.095,507 1.217,508 1.213,509 0.758,510 1.035,511 1.467,512 1.14,513 1.226,514 1.165,515 1.661,516 1.087,517 1.279,518 0.92,519 0.984,520 0.879,521 1.381,522 0.96,523 0.825,524 1.159,525 1.011,526 1.183,527 0.802,528 1.122,529 0.807,530 0.977,531 0.875,532 0.965,533 0.959,534 1.014,535 0.874,536 1.106,537 0.891,538 1.013,539 0.793,540 0.961,541 8,542 0.223,543 5.778,544 2.875,545 1.689,546 1.583,547 1.067,548 0.741,549 0.587,550 0.354,551 22591,552 58643,553 2.093,554 43.9,555 7,556 16,558 4,559 2,564 1.779,565 1.956,566 3.848,567 0.189,573 108.015,574 1.637,575 3.614,576 4.616,577 5.131,578 5.203,579 5.203,580 3.386,581 4.777,582 5.178,583 4.023,584 2679.4,585 9.101,586 44123.7,591 398.93,592 1.531,593 5.134,594 0.195,595 0.006,596 0.098,597 0.045,598 0.029,599 0.028,600 0.021,601 0.015,602 0.013,603 0.008,604 0.458,605 0.33,606 0.63,607 0.672,608 205.232,609 0.074,610 -0.229,611 0.189,612 -0.096,613 -0.144,614 0.006,615 0.254,616 0.2,617 0.118,618 0.149,619 0.257,620 0.094,621 -0.017,622 -0.012,623 -0.076,624 -0.085,625 0.055,626 -0.04,627 -0.207,628 -0.149,629 -0.154,630 -0.118,631 -0.195,632 -0.11,633 -0.105,634 0.052,635 -0.04,636 0.062,637 -0.151,638 0.003,639 0.008,640 -0.176,641 -0.012,642 -0.154,643 -0.007,644 -0.113,645 0.263,646 -0.02,647 0.09,648 -0.005,649 0.146,650 -0.033,651 0.096,652 -0.127,653 0.131,654 -0.02,655 0.11,656 0.028,657 4.593,658 6.472,659 0.811,660 45.521,661 1.002,662 1.127,663 2.924,664 8.547,665 0.681,666 3.738,667 4.094,668 4.382,669 4.605,670 4.868,671 4.956,672 5.13,673 5.22,674 5.342,675 5.398,676 8.538,677 0.645,678 515.7,679 3.738,680 5.303,681 6.168,682 7.055,683 7.936,684 8.827,685 9.714,686 10.608,687 11.498,688 12.393,689 10.6,692 1,693 1,695 1,699 4,704 12,705 4,709 8,711 24,722 1,726 1,731 66,733 26,734 2,735 41,737 70,738 27,739 20,740 4,741 8,746 5,747 5,752 2,761 20,762 7,763 1,766 2,769 1,771 2,781 29,782 9,783 2,784 10,785 1,790 7,794 1,795 2,802 1,806 1,812 5,840 5,842 1,844 2,848 37,849 1,852 1,854 4,858 1,859 2,870 3,873 2,877 18.917,878 12.367,879 7.972,880 3.957,881 4.528,882 1.529,883 1.008,884 7.098,885 13.087,886 4.025,887 4.654,888 5.218,889 5.745,890 6.308,891 6.532,892 6.959,893 7.244,894 7.583,895 7.828,896 1,897 64,898 13.947,900 6.233,901 7.759,902 26.252,904 22.01,905 2.259,906 83.583,910 317.82,911 165.157,912 104.682,914 44.313,916 5.807,917 159.35,918 362.133,919 104.682,920 17.65,921 8.423,922 114.515,923 158.539,924 57.882,925 4.227,926 270.735,928 317.82,929 264.032,930 44.313,931 5.807,933 317.82,934 44.313,937 68.437,938 128.452,939 72.95,941 317.82,942 148.995,943 165.157,945 5.807,946 317.82,947 29.7,948 134.293,950 144.352,951 317.82,952 148.995,953 165.157,955 0.593,956 0.35,957 0.178,958 0.098,959 29,960 13,961 0.086,962 6,964 1,965 4.681,966 364.965,968 30,969 176.75,973 1,974 25.131,975 10.45,976 5.292,978 148.995,979 21.741,980 17.222,984 5.645,986 32.897,987 631.972,988 55,991 -3.676,993 26.943,999 66.163,1000 74.394,1001 0.271,1002 0.598,1003 0.764,1004 0.849,1005 0.861,1006 0.861,1007 5.278,1008 1.827,1009 6.184,1010 6.016,1011 4.779,1012 5.342,1013 0.824,1014 7.048,1015 4.688,1016 6.509,1017 1.571,1018 7.788,1019 4.929,1020 4.511,1021 5.293,1022 0.325,1023 8.253,1024 4.352,1025 7.848,1026 1.367,1027 9.508,1028 4.263,1029 6.46,1030 7.612,1031 0.413,1032 11.332,1033 6.265,1034 9.23,1035 1.22,1036 11.302,1037 3.356,1038 7.031,1039 8.411,1040 0.268,1041 13.418,1042 6.754,1043 10.653,1044 1.1,1045 13.147,1046 3.117,1047 8.487,1048 10.238,1049 0.246,1050 16.11,1051 8.169,1052 12.104,1053 1,1054 15.03,1055 2.705,1056 9.422,1057 11.418,1058 0.188,1059 18.519,1060 9.013,1061 13.579,1062 1,1063 16.94,1064 2.495,1065 10.707,1066 13.059,1067 0.157,1068 21.125,1069 10.242,1070 3.517,1071 1,1072 18.872,1073 2.462,1074 11.804,1075 14.423,1076 0.125,1077 23.653,1078 11.244,1079 3.114,1080 13.625,1081 20.823,1082 2.275,1083 13.035,1084 15.993,1085 0.102,1086 26.247,1087 12.404,1088 2.858,1089 10.82,1090 22.787,1091 4.764,1092 14.204,1093 17.447,1094 0.082,1095 28.82,1096 13.478,1097 2.747,1098 9.124,1099 24.764,1100 4.079,1101 15.426,1102 18.993,1103 0.067,1104 31.417,1105 14.616,1106 2.453,1107 8.262,1108 26.751,1109 3.872,1110 16.629,1111 20.493,1112 0.054,1113 34.009,1114 15.723,1115 2.335,1116 7.676,1117 28.746,1118 3.533,1119 17.854,1120 22.035,1121 0.043,1122 36.611,1123 16.857,1124 2.065,1125 6.579,1126 30.747,1127 3.279,1128 19.075,1129 23.559,1130 0.035,1131 39.212,1132 17.981,1133 21185,1134 34446,1135 27.334,1136 44.972,1137 62.811,1138 62.898,1139 64.126,1140 62.396,1141 62.347,1142 82.473,1143 2.4,1144 184.509,1145 59.603,1146 5.935,1147 6.726,1148 7.347,1149 5.513,1150 5.517,1151 7.764,1152 1.2,1153 21.634,1154 5.222,1155 18.881,1156 1.532,1157 1.534,1158 1.564,1159 1.522,1160 1.521,1161 2.012,1162 0.059,1163 4.5,1164 1.454,1165 4.123,1166 4.125,1167 4.743,1168 4.093,1169 7.715,1170 4.023,1171 3.995,1172 4.02,1173 3.964,1174 3.929,1175 6.999,1176 3.924,1177 3.873,1178 3.915,1179 3.878,1180 3.749,1181 5.236,1182 3.732,1183 3.78,1184 3.822,1185 3.731,1186 3.637,1187 5.001,1188 3.644,1189 3.649,1190 3.711,1191 3.584,1192 3.49,1193 4.736,1194 3.499,1195 3.477,1196 3.534,1197 3.467,1198 3.349,1199 4.676,1200 3.322,1201 3.438,1202 3.451,1203 3.295,1204 3.296,1205 4.512,1206 3.265,1207 3.111,1208 3.206,1209 2.933,1210 2.941,1211 4.273,1212 2.91,1213 0.12,1214 0.115,1215 0.187,1216 0.108,1217 0.086,1218 4.935,1219 0.116,1220 4.726,1221 0.02,1222 7.668,1223 0.332,1224 4.44,1225 0.079,1226 3.517,1227 4.764,1228 0.8,1229 13.625,1230 3.222,1231 2.004,1232 2.004,1233 2.085,1234 2.103,1235 1.334,1236 2.119,1237 1.972,1238 1.945,1239 2.031,1240 2.057,1241 1.26,1242 2.067,1243 1.805,1244 1.761,1245 1.955,1246 1.979,1247 1.164,1248 1.982,1249 1.699,1250 1.665,1251 1.827,1252 1.873,1253 0.965,1254 1.869,1255 1.607,1256 1.548,1257 1.741,1258 1.796,1259 0.825,1260 1.796,1261 1.474,1262 1.412,1263 1.682,1264 1.65,1265 0.787,1266 1.677,1267 1.302,1268 1.31,1269 1.513,1270 1.476,1271 0.675,1272 1.512,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.516,1278 1.429,1279 4.419,1281 5.765,1283 7.317,1285 8.951,1287 10.628,1289 4.331,1293 5.577,1295 1.723,1299 0.45,1300 3.627,1305 42.561,1306 108.015,1307 238.552,1308 304.665,1309 338.665,1310 343.42,1311 343.42,1312 73.644,1313 8.559,1314 118.2,1315 126.58,1316 30,1317 12.919,1318 4.755,1319 3.907,1320 56.958,1321 193,1322 195,1323 0.145,1324 264.351,1325 451.67,1326 636.777,1327 76041,1329 25.993,1330 0.703,1331 0.585,1332 26.243,1333 21.636,1334 17.825,1335 0.435,1336 0.332,1337 12.14,1338 16.431,1339 11.687,1340 9.706,1341 18.613,1342 13.611,1343 16.608,1344 0.281,1345 0.19,1346 17.927,1347 11.192,1348 14.163,1349 0.179,1350 0.107,1351 15.491,1352 8.439,1353 11.312,1354 0.114,1355 0.059,1356 12.399,1357 5.873,1358 9.396,1359 0.073,1360 0.033,1361 10.376,1362 4.23,1363 0.232,1364 119.067,1365 0.191,1366 33.97,1367 0.384,1368 200,1369 559.514,1370 257.156,1371 570.698,1372 789.62,1373 530,1374 238,1375 566.555,1376 303.804,1377 614.328,1378 898.81,1379 577,1380 6.297}
{0 CHEMBL2152127,1 1.599,2 15.135,3 4.606,4 21.211,5 148.201,6 7.682,7 0.585,8 4.299,9 4.416,10 4.015,11 3.888,12 5.359,13 3.843,14 4.845,15 5.018,16 4.344,17 4.292,18 6.022,19 4.229,20 5.108,21 5.3,22 4.443,23 4.495,24 6.149,25 4.395,26 5.248,27 5.452,28 4.389,29 4.514,30 6.328,31 4.404,32 5.26,33 5.492,34 4.332,35 4.484,36 6.287,37 4.365,38 5.165,39 5.398,40 4.281,41 4.421,42 6.12,43 4.287,44 5.125,45 5.363,46 4.244,47 4.328,48 6.196,49 4.2,50 5.031,51 5.269,52 4.19,53 4.246,54 6.07,55 4.129,56 0.085,57 1.045,58 16.329,59 6.259,60 19.425,61 7.901,62 0.433,63 1.693,64 27.314,65 10.423,66 57.598,67 13.607,68 0.28,69 2.128,70 41.602,71 15.245,72 42.532,73 18.992,74 0.446,75 2.256,76 47.886,77 16.859,78 89.841,79 21.189,80 0.556,81 2.247,82 46.033,83 16.322,84 85.361,85 21.714,86 0.308,87 2.112,88 43.153,89 15.572,90 55.727,91 20.982,92 0.572,93 1.982,94 41.611,95 14.46,96 85.034,97 19.433,98 0.389,99 1.82,100 38.002,101 12.986,102 62.231,103 17.436,104 27,105 59,106 0.249,107 0.555,108 0.718,109 0.811,110 0.817,111 0.817,112 3.642,113 1.006,114 -4.28,115 -4.22,116 -3.98,119 41.8,120 2,122 1,125 4,142 10,143 4,144 2,145 3,146 1,150 1,163 1,164 1,165 1,172 15,174 4,175 5,177 2,178 2,183 17,186 2,187 13,195 13,199 14,204 1,207 9,209 1,211 2,212 12,217 1,220 6,222 1,223 1,224 8,229 2,232 3,234 2,236 6,237 9,242 1,245 2,247 1,249 2,250 10,255 1,258 5,260 1,263 7,265 3,266 3,271 8,275 2555,276 24.841,277 24.841,278 24.841,279 24.841,280 24.841,281 21.801,282 22.773,283 14.385,284 25.373,285 20.196,286 20.196,287 20.196,288 20.196,289 20.196,290 15.575,291 26.675,292 6.754,293 21.068,294 4.467,295 2.51,296 1.466,297 0.87,298 0.829,299 0.829,300 4.345,305 1,306 1223,307 3.742,311 634.714,318 2.308,319 38.778,322 0.75,323 0.83,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.78,330 79,331 560,332 4.935,333 4.726,334 7.668,335 4.44,336 3.517,337 4.764,338 0.8,339 13.625,340 3.222,341 4.434,342 3.261,343 6.686,344 4.08,345 3.114,346 4.079,347 0.4,348 10.82,349 3.013,350 4.233,351 2.985,352 6.164,353 3.844,354 2.858,355 3.872,357 9.124,358 2.822,359 4.031,360 2.87,361 5.939,362 3.738,363 2.747,364 3.533,366 8.262,367 2.721,368 3.76,369 2.682,370 5.746,371 3.407,372 2.453,373 3.279,375 7.676,376 2.336,377 3.615,378 2.445,379 5.538,380 3.264,381 2.335,382 2.847,384 6.579,385 2.171,386 3.368,387 2.348,388 5.041,389 3.017,390 2.065,391 2.661,393 6.016,394 1.954,395 3.219,396 1.894,397 4.716,398 2.799,399 1.827,400 2.415,402 4.929,403 1.771,404 2.908,405 1.713,406 4.444,407 2.521,408 1.571,409 2.012,411 4.263,412 1.484,413 2.729,414 1.38,415 4.104,416 2.362,417 1.367,418 1.81,420 3.356,421 1.359,422 2.688,423 1.281,424 3.915,425 2.198,426 1.22,427 1.737,428 3.117,429 1.191,430 2.576,431 1.15,432 3.685,433 2.086,434 1.1,435 1.607,436 2.705,437 1.084,438 2.5,439 1.146,440 3.564,441 2,442 1,443 1.5,445 2.495,446 1,447 2.5,448 1.069,449 3.477,450 1.984,451 1,452 1.5,454 2.462,455 0.982,456 2.384,457 1,458 3.414,459 1.967,460 1,461 1.339,463 2.275,464 0.965,465 17.9,466 0.484,467 1.019,468 0.028,469 52,470 1.405,471 28,472 0.757,473 24,474 0.649,475 32.131,476 0.868,477 39.1,478 0.584,479 43.194,480 1.167,481 9.809,482 0.265,483 8.016,484 0.217,485 0.115,486 0.047,487 0.296,493 0.622,494 1.371,495 0.823,496 1.185,497 0.733,498 0.957,499 0.715,500 0.941,501 0.818,502 0.844,503 0.536,504 0.859,505 0.932,506 1.081,507 1.221,508 1.194,509 0.748,510 1.03,511 1.435,512 1.121,513 1.221,514 1.17,515 1.637,516 1.101,517 1.201,518 0.961,519 0.96,520 0.918,521 1.324,522 0.986,523 0.807,524 1.112,525 0.992,526 1.128,527 0.765,528 1.087,529 0.89,530 0.981,531 0.937,532 0.996,533 0.997,534 1.008,535 0.976,536 1.045,537 0.922,538 0.991,539 0.965,540 0.962,541 8,542 0.223,543 5.778,544 2.875,545 1.689,546 1.583,547 1.067,548 0.741,549 0.587,550 0.354,551 22591,552 56973,553 2.093,554 44.8,555 7,556 18,558 3,559 2,564 1.779,565 1.956,566 3.848,567 0.162,573 107.106,574 1.599,575 3.556,576 4.6,577 5.196,578 5.238,579 5.238,580 3.386,581 4.777,582 5.178,583 4.023,584 2679.4,585 9.101,586 44123.7,591 406.428,592 1.531,593 5.134,594 0.195,595 0.006,596 0.098,597 0.045,598 0.029,599 0.028,600 0.021,601 0.015,602 0.013,603 0.008,604 0.458,605 0.17,606 0.75,607 0.672,608 205.232,609 0.089,610 -0.185,611 0.19,612 -0.077,613 -0.147,614 0.016,615 0.259,616 0.179,617 0.113,618 0.136,619 0.261,620 0.083,621 -0.032,622 -0.003,623 -0.079,624 -0.074,625 0.054,626 -0.035,627 -0.182,628 -0.136,629 -0.155,630 -0.122,631 -0.18,632 -0.118,633 -0.07,634 -0.002,635 -0.024,636 0.033,637 -0.125,638 -0.011,639 0.019,640 -0.137,641 0.008,642 -0.108,643 0.01,644 -0.078,645 0.187,646 -0.013,647 0.065,648 -0.013,649 0.105,650 -0.024,651 0.072,652 -0.065,653 0.098,654 0.002,655 0.068,656 0.022,657 4.573,658 6.487,659 0.811,660 45.521,661 0.999,662 1.124,663 3.049,664 9.295,665 0.683,666 3.738,667 4.094,668 4.382,669 4.605,670 4.868,671 4.956,672 5.13,673 5.22,674 5.342,675 5.398,676 8.538,677 0.643,678 514.71,679 3.738,680 5.303,681 6.168,682 7.055,683 7.936,684 8.827,685 9.714,686 10.608,687 11.498,688 12.393,689 9,692 1,693 1,695 1,699 3,704 13,705 3,709 8,711 24,722 1,726 1,731 67,733 26,734 2,735 41,737 71,738 28,739 21,740 4,741 8,746 5,747 5,752 2,761 21,762 7,763 1,766 2,769 1,771 2,781 30,782 8,783 2,784 9,785 1,790 6,794 1,795 2,805 1,806 1,812 5,840 5,842 1,844 2,848 37,849 1,852 1,854 4,858 1,859 2,870 3,873 2,877 18.917,878 12.5,879 7.972,880 4.035,881 4.528,882 1.529,883 1.01,884 7.142,885 13.087,886 4.025,887 4.654,888 5.218,889 5.745,890 6.308,891 6.532,892 6.959,893 7.244,894 7.583,895 7.828,896 1,897 64,898 13.95,900 6.227,901 7.732,902 26.382,904 22.202,905 2.232,906 82.583,910 329.591,911 175.491,912 87.897,914 44.313,916 5.807,917 169.684,918 373.904,919 87.897,920 17.65,921 8.423,922 133.467,923 129.983,924 51.592,925 1.899,926 294.278,928 329.591,929 257.58,930 44.313,931 5.807,933 329.591,934 44.313,937 59.39,938 147.834,939 56.164,941 329.591,942 132.21,943 175.491,945 5.807,946 329.591,947 30.128,948 144.198,950 127.567,951 329.591,952 132.21,953 175.491,955 0.593,956 0.35,957 0.178,958 0.098,959 29,960 13,961 0.085,962 6,964 1,965 4.681,966 364.965,968 30,969 176.75,973 1,974 25.193,975 10.489,976 5.316,978 132.21,979 24.351,980 12.689,984 6.128,986 32.897,987 637.291,988 55,991 -3.656,993 26.974,999 66.945,1000 75.311,1001 0.264,1002 0.586,1003 0.758,1004 0.857,1005 0.863,1006 0.863,1007 5.278,1008 1.827,1009 6.184,1010 6.016,1011 4.779,1012 5.342,1013 0.824,1014 7.048,1015 4.697,1016 6.509,1017 1.571,1018 7.788,1019 4.929,1020 4.511,1021 5.293,1022 0.325,1023 8.253,1024 4.359,1025 7.848,1026 1.367,1027 9.508,1028 4.263,1029 6.46,1030 7.612,1031 0.413,1032 11.332,1033 6.281,1034 9.23,1035 1.22,1036 11.302,1037 3.356,1038 7.031,1039 8.411,1040 0.268,1041 13.418,1042 6.767,1043 10.653,1044 1.1,1045 13.147,1046 3.117,1047 8.487,1048 10.238,1049 0.246,1050 16.11,1051 8.189,1052 12.104,1053 1,1054 15.03,1055 2.705,1056 9.422,1057 11.418,1058 0.188,1059 18.519,1060 9.032,1061 13.579,1062 1,1063 16.94,1064 2.495,1065 10.707,1066 13.059,1067 0.157,1068 21.125,1069 10.266,1070 3.517,1071 1,1072 18.872,1073 2.462,1074 11.804,1075 14.423,1076 0.125,1077 23.653,1078 11.268,1079 3.114,1080 13.625,1081 20.823,1082 2.275,1083 13.035,1084 15.993,1085 0.102,1086 26.247,1087 12.431,1088 2.858,1089 10.82,1090 22.787,1091 4.764,1092 14.204,1093 17.447,1094 0.082,1095 28.82,1096 13.505,1097 2.747,1098 9.124,1099 24.764,1100 4.079,1101 15.426,1102 18.993,1103 0.067,1104 31.417,1105 14.646,1106 2.453,1107 8.262,1108 26.751,1109 3.872,1110 16.629,1111 20.493,1112 0.054,1113 34.009,1114 15.753,1115 2.335,1116 7.676,1117 28.746,1118 3.533,1119 17.854,1120 22.035,1121 0.043,1122 36.611,1123 16.889,1124 2.065,1125 6.579,1126 30.747,1127 3.279,1128 19.075,1129 23.559,1130 0.035,1131 39.212,1132 18.014,1133 21185,1134 33964,1135 27.334,1136 45.728,1137 62.811,1138 62.898,1139 64.126,1140 62.407,1141 62.347,1142 82.473,1143 2.4,1144 184.509,1145 59.888,1146 5.935,1147 6.726,1148 7.347,1149 5.508,1150 5.517,1151 7.764,1152 1.2,1153 21.634,1154 5.222,1155 18.881,1156 1.532,1157 1.534,1158 1.564,1159 1.522,1160 1.521,1161 2.012,1162 0.059,1163 4.5,1164 1.461,1165 4.125,1166 4.127,1167 4.743,1168 4.095,1169 7.715,1170 4.026,1171 4.003,1172 4.024,1173 3.972,1174 3.944,1175 6.999,1176 3.937,1177 3.874,1178 3.916,1179 3.878,1180 3.756,1181 5.236,1182 3.745,1183 3.796,1184 3.831,1185 3.742,1186 3.696,1187 4.924,1188 3.682,1189 3.656,1190 3.715,1191 3.585,1192 3.498,1193 4.736,1194 3.507,1195 3.479,1196 3.539,1197 3.47,1198 3.357,1199 4.648,1200 3.334,1201 3.444,1202 3.452,1203 3.3,1204 3.314,1205 4.512,1206 3.273,1207 3.111,1208 3.206,1209 2.933,1210 2.941,1211 4.271,1212 2.91,1213 0.12,1214 0.115,1215 0.187,1216 0.108,1217 0.086,1218 4.935,1219 0.116,1220 4.726,1221 0.02,1222 7.668,1223 0.332,1224 4.44,1225 0.079,1226 3.517,1227 4.764,1228 0.8,1229 13.625,1230 3.222,1231 2.007,1232 2.005,1233 2.094,1234 2.106,1235 1.341,1236 2.122,1237 1.982,1238 1.959,1239 2.031,1240 2.059,1241 1.262,1242 2.072,1243 1.826,1244 1.783,1245 1.977,1246 1.98,1247 1.169,1248 1.985,1249 1.726,1250 1.702,1251 1.85,1252 1.881,1253 1.008,1254 1.885,1255 1.616,1256 1.558,1257 1.745,1258 1.8,1259 0.825,1260 1.802,1261 1.495,1262 1.433,1263 1.735,1264 1.656,1265 0.825,1266 1.691,1267 1.303,1268 1.314,1269 1.513,1270 1.476,1271 0.769,1272 1.513,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.524,1278 1.429,1279 4.419,1281 5.765,1283 7.317,1285 8.951,1287 10.628,1289 4.356,1293 5.581,1295 1.928,1299 0.466,1300 3.766,1305 43.067,1306 107.106,1307 238.235,1308 308.189,1309 348.163,1310 350.918,1311 350.918,1312 72.908,1313 8.559,1314 105.31,1315 113.69,1316 30,1317 12.919,1318 4.755,1319 3.907,1320 56.958,1321 193,1322 195,1323 0.145,1324 267.149,1325 457.97,1326 643.605,1327 76041,1329 25.993,1330 0.703,1331 0.588,1332 26.243,1333 21.766,1334 17.825,1335 0.435,1336 0.335,1337 12.296,1338 16.496,1339 11.828,1340 9.827,1341 18.613,1342 13.752,1343 16.608,1344 0.281,1345 0.192,1346 17.927,1347 11.335,1348 14.163,1349 0.179,1350 0.109,1351 15.491,1352 8.588,1353 11.312,1354 0.114,1355 0.061,1356 12.399,1357 6.011,1358 9.396,1359 0.073,1360 0.034,1361 10.376,1362 4.339,1363 0.232,1364 118.613,1365 0.191,1366 33.97,1367 0.384,1368 200,1369 539.869,1370 255.38,1371 553.517,1372 767.22,1373 514,1374 238,1375 550.09,1376 301.75,1377 598.963,1378 875.95,1379 563,1380 6.658}
{0 CHEMBL2152128,1 1.909,2 8,3 1.847,4 3.412,5 70.601,6 9.259,7 0.545,8 3.601,9 3.719,10 3.304,11 3.07,12 4.949,13 3.121,14 4.1,15 4.254,16 3.769,17 3.397,18 5.998,19 3.453,20 4.218,21 4.38,22 3.763,23 3.493,24 5.746,25 3.535,26 4.318,27 4.503,28 3.693,29 3.415,30 5.903,31 3.47,32 4.204,33 4.402,34 3.569,35 3.317,36 5.674,37 3.369,38 4.126,39 4.328,40 3.459,41 3.211,42 5.713,43 3.241,44 4.06,45 4.284,46 3.301,47 3.05,48 5.611,49 3.069,50 3.818,51 4.041,52 3.07,53 2.795,54 5.221,55 2.819,56 0.231,57 0.715,58 3.971,59 2.565,60 40.194,61 2.569,62 0.863,63 1.351,64 9.569,65 4.193,66 140.912,67 4.412,68 0.544,69 1.141,70 10.139,71 4.926,72 72.245,73 5.419,74 0.873,75 1.146,76 13.746,77 4.977,78 138.091,79 4.817,80 0.69,81 1.038,82 12.38,83 4.198,84 102.671,85 4.408,86 0.686,87 0.912,88 11.333,89 3.797,90 90.755,91 4.213,92 0.708,93 0.798,94 12.546,95 3.853,96 104.02,97 4.537,98 0.444,99 0.671,100 9.531,101 3.409,102 75.497,103 4.148,104 42,105 32,106 0.359,107 0.717,108 0.825,109 0.872,110 0.872,111 0.872,112 3.103,113 0.798,114 -3.77,115 -3.73,116 -3.55,119 40.6,124 1,132 1,142 4,143 2,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 6,175 1,177 1,178 2,183 6,186 2,187 3,189 1,190 2,195 3,198 1,199 4,201 1,202 2,203 1,206 1,212 4,217 2,222 1,224 3,229 4,234 2,237 2,242 4,247 2,250 1,255 2,260 1,275 537,276 13.411,277 13.411,278 13.411,279 13.411,280 13.411,281 11.921,282 11.975,283 7.615,284 13.848,285 10.751,286 10.751,287 10.751,288 10.751,289 10.751,290 8.397,291 10.79,292 3.49,293 11.478,294 3.091,295 1.184,296 0.61,297 0.36,298 0.36,299 0.36,300 3.753,303 1,304 1,305 1,306 338,307 3.536,311 139.494,318 1.238,319 43.854,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 49.5,331 168,332 4.491,333 4.46,334 7.118,335 4.194,336 3.325,337 4.112,338 3.825,339 11.701,340 2.991,341 4.363,342 3.583,343 6.446,344 3.989,345 3.03,346 3.828,347 1.058,348 9.91,349 2.856,350 3.98,351 2.879,352 6.067,353 3.645,354 2.669,355 3.316,357 8.731,358 2.558,359 3.402,360 2.502,361 4.884,362 2.97,363 2.007,364 2.653,366 5.33,367 1.914,368 3.188,369 2.032,370 4.73,371 2.745,372 1.807,373 2.407,375 5.03,376 1.667,377 2.666,378 1.385,379 4.212,380 2.192,381 1.24,382 1.732,384 3.566,385 1.164,386 2.578,387 1.311,388 3.814,389 2.071,390 1.127,391 1.586,393 2.758,394 1.064,395 2.559,396 1.105,397 3.479,398 2.053,399 1.083,400 1.571,402 2.49,403 1.039,404 1.484,405 1.087,406 2.774,407 1.216,408 0.259,409 0.297,411 0.379,412 0.244,413 1.272,414 0.51,415 2.677,416 0.854,417 -0.108,418 -0.139,420 -0.226,421 -0.103,422 0.767,423 0.51,424 2.568,425 0.33,426 -0.654,427 -0.875,428 -1.623,429 -0.64,430 0.657,431 0.18,432 2.158,433 0.19,434 -0.794,435 -1,436 -2.359,437 -0.7,438 0.578,439 -0.419,440 2,441 0.092,442 -0.883,443 -1,445 -2.516,446 -0.7,447 0.008,448 -0.496,449 2,450 -0.3,451 -1,452 -1.077,454 -3,455 -0.775,457 -0.771,458 1.821,459 -0.3,460 -1,461 -1.246,463 -3,464 -0.856,465 9.29,466 0.442,467 0.761,468 0.036,469 27.75,470 1.321,471 14,472 0.667,473 13.75,474 0.655,475 13.469,476 0.641,477 23.71,478 0.741,479 22.882,480 1.09,481 5.914,482 0.282,483 3.911,484 0.186,485 0.225,486 0.054,487 0.323,490 3,493 0.65,494 1.017,495 0.617,496 1.009,497 0.667,498 0.854,499 0.449,500 0.738,501 0.565,502 0.856,503 0.416,504 0.802,505 0.65,506 0.959,507 0.692,508 1.11,509 0.624,510 1.003,511 1.195,512 1.07,513 1.163,514 1.006,515 1.196,516 1.043,517 1.095,518 1.079,519 1.053,520 0.996,521 1.009,522 0.975,523 0.969,524 0.909,525 1.123,526 1.041,527 0.945,528 1.121,529 0.987,530 0.881,531 1.051,532 1.004,533 1.06,534 1.054,535 0.88,536 1.231,537 0.827,538 1.366,539 0.945,540 1.188,541 6,543 3.333,544 1.563,545 1.173,546 1.09,547 0.447,548 0.319,549 0.357,550 0.076,551 3634,552 16605,553 1.904,554 34.4,556 7,558 1,559 3,564 1.635,565 1.714,566 3.031,567 1.203,569 1,570 1,571 1,573 61.086,574 1.909,575 3.816,576 4.39,577 4.64,578 4.64,579 4.64,580 2.47,581 3.844,582 4.366,583 3.157,584 663.048,585 7.496,586 6971.63,587 1,588 1,590 1,591 160,592 1.772,593 4.266,594 0.273,596 0.104,597 0.047,598 0.04,599 0.042,600 0.02,601 0.018,602 0.026,603 0.007,604 0.577,605 0.67,606 1,607 1.258,608 93.781,609 -0.095,610 -0.089,611 -0.019,612 0.016,613 -0.14,614 0.05,615 0.405,616 0.306,617 0.227,618 0.154,619 0.41,620 0.112,621 0.013,622 -0.127,623 0.085,624 -0.132,625 0.029,626 -0.044,627 -0.219,628 -0.1,629 -0.248,630 -0.058,631 -0.205,632 -0.132,633 -0.242,634 -0.193,635 -0.142,636 -0.066,637 -0.168,638 -0.033,639 -0.082,640 0.012,641 -0.2,642 -0.115,643 -0.075,644 -0.188,645 -0.025,646 0.001,647 -0.006,648 -0.057,649 -0.09,650 -0.042,651 -0.022,652 -0.438,653 0.229,654 -0.385,655 -0.069,656 -0.096,657 5.707,658 4.69,659 0.571,660 14.463,661 1.053,662 1.166,663 2.54,664 6.454,665 0.659,666 3.135,667 3.497,668 3.689,669 3.85,670 4.078,671 4.094,672 4.159,673 4.143,674 4.174,675 4.025,676 5.034,677 0.675,678 296.28,679 3.135,680 4.691,681 5.525,682 6.412,683 7.27,684 8.156,685 9.022,686 9.906,687 10.776,688 11.66,689 12.5,693 1,696 1,699 2,704 5,705 2,709 5,711 12,718 1,722 1,731 32,733 13,734 1,735 22,737 33,738 13,739 10,740 2,741 4,742 1,746 2,747 2,752 1,757 1,761 11,762 2,766 1,771 1,775 1,777 1,778 1,779 3,781 11,782 8,783 3,784 8,790 4,794 1,795 1,802 1,812 2,840 2,844 1,846 3,848 21,849 1,855 1,860 1,869 3,870 3.1,873 1,877 12.25,878 5.995,879 4.583,880 1.65,881 2.395,882 1.374,883 0.971,884 4.033,885 8.792,886 3.401,887 4.007,888 4.559,889 5.085,890 5.648,891 5.884,892 6.276,893 6.54,894 6.85,895 7.052,896 1,897 33,898 8.168,900 3.925,901 8.679,902 13.51,904 10.547,905 3.179,906 66.75,910 94.169,911 82.026,912 84.479,914 25.145,915 44.88,917 82.026,918 119.314,919 129.359,920 8.396,921 18.011,922 70.802,923 75.192,924 65.812,925 2.328,926 82.398,927 7.76,928 94.169,929 166.505,930 70.025,933 94.169,934 70.025,937 40.331,938 92.602,939 33.571,941 139.049,942 109.624,943 82.026,946 101.928,947 18.917,948 55.349,949 18.011,950 136.494,951 94.169,952 154.504,953 82.026,955 0.597,956 0.34,957 0.161,958 0.089,959 15,960 8,961 0.061,962 2,964 1,965 3.121,966 156.976,968 12,969 87.484,974 15.11,975 5.605,976 3.245,978 154.504,979 5.817,980 7.759,984 -0.7,986 50.908,987 330.699,988 29,993 11.57,997 -0.561,999 33.691,1000 37.298,1001 0.382,1002 0.763,1003 0.878,1004 0.928,1005 0.928,1006 0.928,1007 4.654,1008 1.083,1009 5.587,1010 2.758,1011 4.174,1012 4.691,1013 3.139,1014 6.457,1015 4.053,1016 5.907,1017 0.259,1018 7.207,1019 2.49,1020 4.111,1021 4.649,1022 3.903,1023 7.719,1024 3.829,1025 7.248,1026 -0.108,1027 8.939,1028 0.379,1029 5.9,1030 6.898,1031 5.431,1032 10.691,1033 5.636,1034 8.624,1035 -0.654,1036 10.736,1037 -0.226,1038 6.581,1039 7.573,1040 6.69,1041 12.69,1042 6.148,1043 10.027,1044 -0.794,1045 12.572,1046 -1.623,1047 7.955,1048 9.379,1049 8.059,1050 15.278,1051 7.51,1052 11.449,1053 -0.883,1054 14.433,1055 -2.359,1056 8.927,1057 10.386,1058 9.388,1059 17.541,1060 8.333,1061 12.886,1062 -1,1063 16.313,1064 -2.516,1065 10.163,1066 11.993,1067 10.734,1068 20.015,1069 9.52,1070 3.325,1071 -1,1072 18.206,1073 -3,1074 11.253,1075 13.172,1076 12.074,1077 22.381,1078 10.48,1079 3.03,1080 11.701,1081 20.109,1082 -3,1083 12.444,1084 14.679,1085 13.416,1086 24.825,1087 11.597,1088 2.669,1089 9.91,1090 22.021,1091 4.112,1092 13.583,1093 15.953,1094 14.758,1095 27.234,1096 12.618,1097 2.007,1098 8.731,1099 23.938,1100 3.828,1101 14.762,1102 17.407,1103 16.1,1104 29.674,1105 13.708,1106 1.807,1107 5.33,1108 25.861,1109 3.316,1110 15.923,1111 18.734,1112 17.441,1113 32.103,1114 14.757,1115 1.24,1116 5.03,1117 27.788,1118 2.653,1119 17.1,1120 20.161,1121 18.783,1122 34.545,1123 15.837,1124 1.127,1125 3.566,1126 29.719,1127 2.407,1128 18.273,1129 21.519,1130 20.124,1131 36.986,1132 16.9,1133 3815,1134 8270,1135 13.523,1136 21.097,1137 33.695,1138 33.914,1139 34.954,1140 33.297,1141 33.095,1142 43.001,1143 9.767,1144 99.792,1145 30.995,1146 5.222,1147 6.46,1148 6.661,1149 5.263,1150 5.325,1151 7.112,1152 5.335,1153 18.743,1154 4.991,1155 13.652,1156 1.532,1157 1.542,1158 1.589,1159 1.514,1160 1.504,1161 1.955,1162 0.444,1163 4.536,1164 1.409,1165 4.004,1166 4.036,1167 3.974,1168 3.915,1169 8.513,1170 3.922,1171 3.793,1172 3.833,1173 3.766,1174 3.628,1175 7.999,1176 3.658,1177 3.452,1178 3.53,1179 3.388,1180 3.189,1181 7.999,1182 3.219,1183 3.303,1184 3.357,1185 3.271,1186 3.009,1187 7.429,1188 3.054,1189 3.041,1190 3.124,1191 2.916,1192 2.862,1193 5.182,1194 2.862,1195 2.917,1196 2.989,1197 2.743,1198 2.627,1199 4.763,1200 2.644,1201 2.711,1202 2.801,1203 2.546,1204 2.454,1205 4.518,1206 2.472,1207 2.558,1208 2.635,1209 2.429,1210 2.265,1211 4.187,1212 2.31,1213 0.204,1214 0.203,1215 0.324,1216 0.191,1217 0.151,1218 4.491,1219 0.187,1220 4.46,1221 0.174,1222 7.118,1223 0.532,1224 4.194,1225 0.136,1226 3.325,1227 4.112,1228 3.825,1229 11.701,1230 2.991,1231 1.951,1232 1.926,1233 2.03,1234 2.06,1235 1.137,1236 2.047,1237 1.708,1238 1.67,1239 1.793,1240 1.898,1241 0.775,1242 1.871,1243 1.362,1244 1.283,1245 1.645,1246 1.666,1247 0.643,1248 1.661,1249 1.113,1250 1.07,1251 1.261,1252 1.437,1253 0.292,1254 1.353,1255 1.002,1256 0.943,1257 1.204,1258 1.264,1259 0.249,1260 1.256,1261 0.811,1262 0.742,1263 1.063,1264 1.16,1265 0.018,1266 1.139,1267 0.678,1268 0.578,1269 0.994,1270 0.943,1272 0.968,1273 0.429,1274 0.357,1275 0.642,1276 0.776,1278 0.771,1279 3.807,1281 5.153,1283 6.693,1285 8.313,1287 9.973,1289 1.389,1291 38.069,1293 5.529,1296 2.335,1301 -4.457,1305 21.584,1306 61.086,1307 122.126,1308 140.49,1309 148.49,1310 148.49,1311 148.49,1312 56.071,1313 6.397,1314 80.9,1315 80.9,1316 12,1317 12.196,1318 3.807,1319 3,1320 39.133,1321 63,1322 59,1323 0.315,1324 134.96,1325 239.46,1326 321.063,1327 4002,1328 9.4,1329 15.621,1330 0.744,1331 0.519,1332 13.121,1333 10.901,1334 9.825,1335 0.447,1336 0.266,1337 5.693,1338 9.217,1339 5.603,1340 4.643,1341 8.613,1342 5.849,1343 9.589,1344 0.3,1345 0.13,1346 7.632,1347 4.147,1348 7.28,1349 0.187,1350 0.07,1351 6.317,1352 2.729,1353 5.357,1354 0.116,1355 0.036,1356 4.824,1357 1.678,1358 4.37,1359 0.075,1360 0.019,1361 3.823,1362 1.103,1363 0.479,1364 63.484,1365 0.272,1366 20.436,1367 0.907,1368 108,1369 553.004,1370 133.476,1371 453.25,1372 578.71,1373 416,1374 125,1375 396.172,1376 144.297,1377 382.568,1378 576.51,1379 357,1380 5.447}
{0 CHEMBL2152129,1 1.802,2 10.778,3 1.865,4 3.478,5 103.241,6 8.715,7 0.621,8 3.9,9 4.004,10 3.739,11 3.482,12 5.106,13 3.459,14 4.372,15 4.506,16 4.013,17 3.827,18 5.819,19 3.795,20 4.592,21 4.754,22 4.107,23 3.944,24 5.94,25 3.893,26 4.642,27 4.811,28 4.077,29 3.899,30 6.065,31 3.85,32 4.605,33 4.779,34 4.006,35 3.86,36 5.97,37 3.826,38 4.545,39 4.712,40 3.89,41 3.823,42 5.939,43 3.773,44 4.528,45 4.733,46 3.746,47 3.761,48 5.799,49 3.678,50 4.4,51 4.616,52 3.689,53 3.627,54 5.519,55 3.538,56 0.142,57 0.711,58 9.507,59 3.879,60 20.7,61 4.088,62 0.413,63 1.058,64 14.474,65 6.286,66 54.144,67 7.144,68 0.43,69 1.265,70 21.087,71 8.3,72 50.985,73 9.138,74 0.604,75 1.265,76 24.494,77 8.417,78 83.23,79 8.717,80 0.539,81 1.198,82 24.299,83 7.86,84 77.764,85 8.222,86 0.536,87 1.136,88 20.408,89 7.262,90 71.437,91 8.018,92 0.505,93 1.073,94 19.79,95 7.495,96 71.037,97 9.127,98 0.294,99 0.961,100 19.208,101 6.889,102 43.338,103 8.909,104 28,105 41,106 0.308,107 0.62,108 0.749,109 0.844,110 0.867,111 0.867,112 3.34,113 0.974,114 -2.79,115 -2.8,116 -2.72,119 40.9,124 1,142 9,143 1,144 2,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 8,174 1,175 1,177 1,178 4,180 2,183 8,186 2,187 7,189 1,190 2,192 4,195 4,198 1,199 11,201 1,202 2,203 1,204 3,206 1,212 9,217 3,220 4,222 1,223 2,224 5,227 1,229 4,232 8,234 2,236 2,237 1,240 1,242 2,245 8,247 1,250 3,255 2,258 4,260 1,262 2,263 4,265 2,266 5,267 2,270 1,271 1,275 1083,276 17.894,277 17.894,278 17.894,279 17.894,280 17.894,281 15.351,282 13.557,283 10.464,284 18.252,285 14.232,286 14.232,287 14.232,288 14.232,289 14.232,290 10.323,291 10.451,292 4.874,293 14.773,294 3.657,295 1.83,296 1.075,297 0.517,298 0.381,299 0.381,300 4.017,303 1,304 1,305 1,306 611,307 3.742,311 280.564,318 1.712,319 39.975,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 59.5,331 291,332 4.861,333 4.687,334 7.312,335 4.321,336 3.4,337 4.713,338 1.058,339 12.533,340 3.108,341 4.404,342 3.583,343 6.447,344 4.001,345 3.034,346 4.073,348 9.917,349 2.929,350 4.046,351 2.864,352 6.074,353 3.676,354 2.685,355 3.571,357 8.764,358 2.657,359 3.845,360 2.594,361 5.389,362 3.403,363 2.428,364 3.398,366 6.943,367 2.362,368 3.442,369 2.47,370 4.89,371 2.98,372 2.007,373 2.779,375 5.357,376 1.944,377 3.262,378 1.855,379 4.803,380 2.794,381 1.817,382 2.501,384 5.064,385 1.769,386 2.886,387 1.529,388 4.271,389 2.426,390 1.442,391 2.049,393 3.633,394 1.417,395 2.729,396 1.327,397 3.815,398 2.209,399 1.228,400 1.816,402 3.012,403 1.201,404 2.579,405 1.281,406 3.608,407 2.076,408 1.127,409 1.61,411 2.758,412 1.074,413 2.576,414 1.105,415 3.48,416 2.053,417 1.082,418 1.571,420 2.491,421 1.039,422 2.5,423 1.087,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.484,431 1,432 3.078,433 1.216,434 0.259,435 0.297,436 0.379,437 0.244,438 1.273,439 0.231,440 2.717,441 0.855,442 -0.108,443 -0.139,445 -0.226,446 -0.103,447 1.195,448 0.178,449 2.608,450 0.845,451 -0.121,452 -0.151,454 -0.324,455 -0.117,456 1,457 -0.115,458 2.56,459 0.319,460 -0.658,461 -0.904,463 -1.631,464 -0.63,465 12.833,466 0.475,467 0.769,468 0.028,469 40.75,470 1.509,471 23.5,472 0.87,473 17.25,474 0.639,475 16.976,476 0.629,477 28.567,478 0.649,479 33.007,480 1.222,481 8.171,482 0.303,483 4.732,484 0.175,485 0.148,486 0.065,487 0.273,493 0.646,494 1.266,495 0.808,496 1.149,497 0.722,498 0.85,499 0.583,500 1.091,501 0.83,502 0.966,503 0.569,504 0.906,505 0.94,506 1.101,507 1.013,508 1.091,509 0.912,510 0.991,511 1.338,512 1.034,513 1.227,514 1.086,515 1.32,516 0.993,517 1.506,518 1.016,519 1.181,520 1.012,521 1.448,522 0.893,523 1.24,524 0.985,525 1.139,526 1.048,527 1.27,528 1.076,529 0.968,530 0.88,531 0.875,532 0.869,533 1.043,534 1.026,535 0.65,536 1.194,537 0.769,538 1.158,539 0.741,540 1.099,541 6.5,542 0.115,543 3.778,544 2,545 1.644,546 1.25,547 0.528,548 0.431,549 0.398,550 0.116,551 8291,552 27371,553 2.005,554 38.6,556 12,558 1,559 4,564 1.702,565 1.851,566 3.411,567 1.771,568 1,569 1,573 79.305,574 1.802,575 3.63,576 4.385,577 4.942,578 5.079,579 5.079,580 2.876,581 4.31,582 4.726,583 3.547,584 1245.02,585 8.213,586 15867.4,588 1,590 1,591 240.215,592 1.623,593 4.663,594 0.224,595 0.007,596 0.092,597 0.047,598 0.041,599 0.032,600 0.015,601 0.014,602 0.015,603 0.005,604 0.493,605 0.17,606 1,607 0.979,608 133.487,609 -0.008,610 -0.073,611 0.18,612 -0.034,613 -0.184,614 0.061,615 0.254,616 0.011,617 0.053,618 0.023,619 0.2,620 0.002,621 -0.008,622 -0.051,623 0.001,624 -0.052,625 0.001,626 -0.043,627 -0.139,628 0.003,629 -0.116,630 -0.032,631 -0.078,632 -0.065,633 -0.301,634 -0.006,635 -0.108,636 0.021,637 -0.181,638 0.045,639 -0.145,640 0.023,641 -0.207,642 -0.086,643 -0.122,644 -0.151,645 -0.022,646 0.05,647 -0.016,648 0.036,649 -0.08,650 -0.04,651 0.089,652 -0.28,653 0.184,654 -0.172,655 -0.025,656 -0.048,657 4.702,658 5.629,659 0.667,660 24.428,661 1.02,662 1.126,663 1.56,664 2.432,665 0.696,666 3.401,667 3.738,668 3.97,669 4.174,670 4.394,671 4.394,672 4.5,673 4.564,674 4.625,675 4.625,676 6.339,677 0.673,678 383.47,679 3.401,680 4.949,681 5.79,682 6.671,683 7.532,684 8.416,685 9.285,686 10.171,687 11.044,688 11.931,689 11.4,693 1,694 1,696 1,699 2,704 10,705 2,709 6,711 18,718 1,722 1,731 44,733 21,734 2,735 29,737 46,738 18,739 16,740 3,741 9,742 1,746 3,747 3,761 17,762 1,766 3,769 1,771 3,775 1,777 1,778 1,781 17,782 8,783 4,784 9,785 1,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,848 27,849 1,852 1,855 2,870 6.8,873 3,877 14.583,878 7.983,879 5.958,880 2.293,881 3.316,882 1.464,883 1.003,884 5.4,885 10.457,886 3.738,887 4.376,888 4.9,889 5.439,890 5.992,891 6.191,892 6.61,893 6.929,894 7.279,895 7.57,896 1,897 43,898 10.212,900 4.628,901 8.114,902 18.298,904 14.75,905 2.614,906 70.583,910 153.024,911 128.577,912 100.884,914 69.458,916 5.807,917 122.769,918 222.482,919 100.884,920 8.396,921 18.011,922 123.991,923 135.91,924 22.054,925 2.328,926 141.253,928 153.024,929 223.653,930 69.458,931 5.807,933 153.024,934 69.458,937 32.572,938 141.105,939 55.783,941 153.024,942 170.342,943 128.577,945 5.807,946 153.024,947 20.039,948 102.73,949 34.416,950 135.926,951 153.024,952 170.342,953 128.577,955 0.585,956 0.342,957 0.174,958 0.095,959 19,960 9,961 0.109,962 5,964 1,965 3.763,966 227.251,968 18,969 120.382,973 1,974 18.832,975 7.742,976 4.246,978 170.342,979 16.155,980 8.179,984 1.308,986 67.313,987 451.943,988 41,991 -3.785,993 37.107,997 -0.476,999 44.869,1000 49.531,1001 0.33,1002 0.665,1003 0.803,1004 0.905,1005 0.93,1006 0.93,1007 4.966,1008 1.228,1009 5.814,1010 3.633,1011 4.419,1012 5.063,1013 1.176,1014 6.666,1015 4.342,1016 6.218,1017 1.127,1018 7.412,1019 3.012,1020 4.205,1021 5.112,1023 7.881,1024 4.049,1025 7.571,1026 1.082,1027 9.125,1028 2.758,1029 6.103,1030 7.381,1031 1.255,1032 10.909,1033 5.919,1034 8.967,1035 1,1036 10.91,1037 2.491,1038 6.698,1039 8.238,1041 12.944,1042 6.411,1043 10.399,1044 0.259,1045 12.742,1046 2.136,1047 8.127,1048 10.038,1049 1.338,1050 15.581,1051 7.805,1052 11.857,1053 -0.108,1054 14.606,1055 0.379,1056 9.066,1057 11.252,1059 17.915,1060 8.635,1061 13.335,1062 -0.121,1063 16.494,1064 -0.226,1065 10.331,1066 12.879,1067 1.422,1068 20.451,1069 9.848,1070 3.4,1071 -0.658,1072 18.4,1073 -0.324,1074 11.417,1075 14.26,1077 22.896,1078 10.829,1079 3.034,1080 12.533,1081 20.32,1082 -1.631,1083 12.63,1084 15.823,1085 1.51,1086 25.411,1087 11.972,1088 2.685,1089 9.917,1090 22.251,1091 4.713,1092 13.78,1093 17.283,1095 27.901,1096 13.021,1097 2.428,1098 8.764,1099 24.19,1100 4.073,1101 14.979,1102 18.824,1103 1.599,1104 30.415,1105 14.139,1106 2.007,1107 6.943,1108 26.137,1109 3.571,1110 16.158,1111 20.324,1113 32.924,1114 15.22,1115 1.817,1116 5.357,1117 28.09,1118 3.398,1119 17.357,1120 21.86,1121 1.69,1122 35.442,1123 16.331,1124 1.442,1125 5.064,1126 30.049,1127 2.779,1128 18.551,1129 23.38,1131 37.96,1132 17.427,1133 8180,1134 15026,1135 18.781,1136 30.608,1137 43.296,1138 45.012,1139 44.966,1140 43.057,1141 43.017,1142 59.755,1143 2.117,1144 125.975,1145 41.486,1146 5.687,1147 6.687,1148 7.114,1149 5.391,1150 5.4,1151 7.713,1152 2.117,1153 19.961,1154 5.108,1155 14.757,1156 1.493,1157 1.552,1158 1.551,1159 1.485,1160 1.483,1161 2.061,1162 0.073,1163 4.344,1164 1.431,1165 4.106,1166 4.098,1167 4.737,1168 4.085,1169 7.717,1170 4.013,1171 3.906,1172 3.939,1173 3.915,1174 3.813,1175 7.429,1176 3.811,1177 3.821,1178 3.844,1179 3.786,1180 3.712,1181 6.999,1182 3.702,1183 3.582,1184 3.581,1185 3.631,1186 3.481,1187 5.182,1188 3.432,1189 3.421,1190 3.496,1191 3.32,1192 3.16,1193 4.779,1194 3.181,1195 3.049,1196 3.133,1197 2.925,1198 2.878,1199 4.747,1200 2.876,1201 2.917,1202 2.989,1203 2.765,1204 2.735,1205 4.516,1206 2.727,1207 2.868,1208 2.926,1209 2.743,1210 2.735,1211 4.187,1212 2.715,1213 0.168,1214 0.162,1215 0.252,1216 0.149,1217 0.117,1218 4.861,1219 0.163,1220 4.687,1221 0.036,1222 7.312,1223 0.432,1224 4.321,1225 0.107,1226 3.4,1227 4.713,1228 1.058,1229 12.533,1230 3.108,1231 1.998,1232 1.999,1233 2.025,1234 2.078,1235 1.203,1236 2.098,1237 1.879,1238 1.849,1239 1.996,1240 1.989,1241 1.056,1242 1.99,1243 1.728,1244 1.704,1245 1.788,1246 1.889,1247 0.798,1248 1.886,1249 1.432,1250 1.449,1251 1.644,1252 1.672,1253 0.668,1254 1.677,1255 1.335,1256 1.259,1257 1.265,1258 1.556,1259 0.541,1260 1.59,1261 1.021,1262 0.96,1263 1.24,1264 1.272,1265 0.265,1266 1.274,1267 0.886,1268 0.821,1269 1.181,1270 1.16,1271 0.218,1272 1.139,1273 0.856,1274 0.802,1275 1.089,1276 1.062,1277 0.176,1278 1.107,1279 4.078,1281 5.407,1283 6.938,1285 8.553,1287 10.21,1289 1.457,1293 5.689,1296 4.95,1305 29.599,1306 79.305,1307 159.711,1308 192.931,1309 217.46,1310 223.46,1311 223.46,1312 63.981,1313 7.141,1314 127.07,1315 135.45,1316 18,1317 12.465,1318 4.459,1319 3.7,1320 46.921,1321 103,1322 100,1323 0.225,1324 189.07,1325 323.66,1326 453.09,1327 11544,1329 19.441,1330 0.72,1331 0.563,1332 19.691,1333 15.195,1334 12.903,1335 0.445,1336 0.325,1337 7.941,1338 11.656,1339 7.627,1340 6.383,1341 13.724,1342 9.417,1343 11.92,1344 0.291,1345 0.177,1346 13.221,1347 7.25,1348 9.7,1349 0.187,1350 0.098,1351 10.791,1352 5.088,1353 7.582,1354 0.118,1355 0.054,1356 8.621,1357 3.47,1358 6.125,1359 0.077,1360 0.03,1361 7.082,1362 2.424,1363 0.352,1364 89.296,1365 0.231,1366 25.816,1367 0.625,1368 140,1369 469.335,1370 191.367,1371 478.194,1372 641.6,1373 438,1374 163,1375 441.275,1376 222.883,1377 485.014,1378 702.97,1379 453,1380 6.128}
{0 CHEMBL2152130,1 1.927,2 10.75,3 2.529,4 6.397,5 108.045,6 9.498,7 0.6,8 3.907,9 4.003,10 3.805,11 3.508,12 5.128,13 3.485,14 4.381,15 4.505,16 4.111,17 3.864,18 5.847,19 3.831,20 4.605,21 4.752,22 4.309,23 4.009,24 5.971,25 3.949,26 4.663,27 4.807,28 4.294,29 3.954,30 6.198,31 3.913,32 4.615,33 4.777,34 4.11,35 3.902,36 5.996,37 3.866,38 4.559,39 4.71,40 4.109,41 3.888,42 6.001,43 3.842,44 4.552,45 4.73,46 4.008,47 3.851,48 5.897,49 3.769,50 4.419,51 4.613,52 3.893,53 3.709,54 5.588,55 3.619,56 0.166,57 0.701,58 7.864,59 3.827,60 23.657,61 3.725,62 0.452,63 1.041,64 12.803,65 6.264,66 57.395,67 6.734,68 0.523,69 1.236,70 23.248,71 8.628,72 63.941,73 8.728,74 0.815,75 1.234,76 26.92,77 8.828,78 103.65,79 8.3,80 0.64,81 1.183,82 24.429,83 8.214,84 88.435,85 7.823,86 0.626,87 1.108,88 19.818,89 7.501,90 79.921,91 7.569,92 0.641,93 1.032,94 22.982,95 7.955,96 82.619,97 8.827,98 0.395,99 0.934,100 21.192,101 7.349,102 55.48,103 8.771,104 39,105 43,106 0.329,107 0.655,108 0.779,109 0.856,110 0.867,111 0.867,112 3.375,113 0.99,114 -3.02,115 -3.02,116 -2.91,119 40.9,124 1,142 8,143 1,144 3,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 7,174 1,175 1,177 1,178 4,180 2,183 7,186 2,187 5,189 1,190 2,192 3,195 5,198 1,199 13,201 1,202 2,203 1,204 4,206 1,207 1,212 8,217 3,220 2,222 1,223 2,224 5,227 1,229 4,232 8,234 2,236 2,237 2,240 1,242 2,245 9,247 1,250 2,258 5,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1174,276 18.394,277 18.394,278 18.394,279 18.394,280 18.394,281 15.799,282 14.247,283 10.65,284 18.857,285 14.703,286 14.703,287 14.703,288 14.703,289 14.703,290 10.715,291 10.763,292 4.958,293 15.481,294 3.532,295 1.62,296 0.898,297 0.443,298 0.381,299 0.381,300 4.049,301 1,304 1,305 1,306 630,307 3.808,311 292.343,318 1.679,319 44.545,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 301,332 4.896,333 4.716,334 7.405,335 4.36,336 3.446,337 4.754,338 1.058,339 12.909,340 3.125,341 4.405,342 3.583,343 6.447,344 4.001,345 3.034,346 4.075,348 9.919,349 2.929,350 4.08,351 2.93,352 6.085,353 3.69,354 2.705,355 3.64,357 8.797,358 2.662,359 3.853,360 2.765,361 5.63,362 3.425,363 2.458,364 3.398,366 7.361,367 2.37,368 3.659,369 2.549,370 5.208,371 3.138,372 2.209,373 3.068,375 6.37,376 2.013,377 3.352,378 2.443,379 4.875,380 2.927,381 1.971,382 2.577,384 5.189,385 1.854,386 2.886,387 1.602,388 4.37,389 2.428,390 1.444,391 2.049,393 4.056,394 1.418,395 2.862,396 1.509,397 4.148,398 2.354,399 1.414,400 2.017,402 3.271,403 1.295,404 2.656,405 1.316,406 3.815,407 2.136,408 1.146,409 1.707,411 2.946,412 1.126,413 2.578,414 1.253,415 3.596,416 2.053,417 1.127,418 1.571,420 2.758,421 1.039,422 2.5,423 1.087,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.49,431 1,432 3.136,433 1.221,434 0.271,435 0.312,436 0.434,437 0.252,438 1.392,439 0.654,440 2.805,441 0.962,442 0.066,443 0.081,445 0.133,446 0.051,447 1.195,448 0.199,449 2.678,450 0.845,451 -0.12,452 -0.151,454 -0.311,455 -0.116,456 1.094,457 0.025,458 2.599,459 0.605,460 -0.277,461 -0.356,463 -0.636,464 -0.225,465 13.548,466 0.484,467 0.858,468 0.031,469 41.5,470 1.482,471 23.5,472 0.839,473 18,474 0.643,475 19.354,476 0.691,477 29.652,478 0.674,479 34.334,480 1.226,481 8.259,482 0.295,483 5.055,484 0.181,485 0.193,486 0.062,487 0.295,493 0.642,494 1.263,495 0.693,496 1.072,497 0.721,498 0.803,499 0.599,500 1.082,501 0.728,502 0.888,503 0.573,504 0.846,505 0.959,506 1.087,507 0.87,508 0.982,509 0.955,510 0.937,511 1.191,512 1.046,513 1.223,514 1.174,515 1.21,516 1.02,517 1.464,518 1.012,519 1.08,520 0.977,521 1.449,522 0.877,523 1.196,524 0.976,525 1.016,526 0.972,527 1.244,528 0.994,529 1.088,530 0.874,531 1.133,532 0.916,533 1.095,534 1.043,535 0.79,536 1.181,537 0.956,538 1.142,539 0.816,540 1.089,541 7,542 0.115,543 4.222,544 2.438,545 1.836,546 1.472,547 0.69,548 0.493,549 0.513,550 0.136,551 8864,552 31890,553 1.984,554 36.4,556 11,558 1,559 4,564 1.714,565 1.816,566 3.392,567 1.768,568 1,569 1,573 84.792,574 1.927,575 3.839,576 4.561,577 5.016,578 5.079,579 5.079,580 2.856,581 4.039,582 4.778,583 3.538,584 1337.41,585 8.327,586 17361.9,588 1,590 1,591 240.215,592 1.678,593 4.706,594 0.233,595 0.007,596 0.098,597 0.053,598 0.042,599 0.036,600 0.018,601 0.015,602 0.018,603 0.005,604 0.524,605 0.17,606 1,607 0.991,608 139.537,609 -0.025,610 -0.071,611 0.113,612 -0.033,613 -0.183,614 0.062,615 0.207,616 0.02,617 0.049,618 0.056,619 0.19,620 0.032,621 -0.034,622 -0.038,623 0.102,624 0.038,625 -0.044,626 -0.004,627 0.005,628 -0.013,629 -0.085,630 -0.117,631 0.028,632 -0.103,633 -0.323,634 0.001,635 -0.112,636 0.04,637 -0.209,638 0.057,639 -0.124,640 0.032,641 -0.089,642 -0.017,643 -0.108,644 -0.079,645 -0.069,646 0.048,647 -0.075,648 0.02,649 -0.11,650 -0.057,651 0.024,652 -0.273,653 0.105,654 -0.14,655 -0.071,656 -0.032,657 4.865,658 5.766,659 0.643,660 25.49,661 1.027,662 1.124,663 1.792,664 3.211,665 0.715,666 3.434,667 3.784,668 4.025,669 4.248,670 4.454,671 4.489,672 4.575,673 4.673,674 4.762,675 4.736,676 6.327,677 0.692,678 417.91,679 3.434,680 4.99,681 5.838,682 6.727,683 7.594,684 8.489,685 9.363,686 10.26,687 11.139,688 12.038,689 11.4,693 1,694 1,696 1,699 2,704 9,705 2,709 7,711 18,718 1,722 1,730 1,731 44,733 21,734 2,735 30,737 46,738 18,739 16,740 4,741 8,742 1,746 3,747 3,748 1,761 17,762 1,766 3,769 1,771 3,775 1,778 1,781 16,782 8,783 4,784 10,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 1,848 28,849 1,852 1,855 2,869 1,870 6.8,873 3,877 15.417,878 8.043,879 6.153,880 2.28,881 3.281,882 1.455,883 1,884 5.843,885 10.486,886 3.761,887 4.413,888 4.943,889 5.499,890 6.037,891 6.269,892 6.669,893 7.03,894 7.398,895 7.667,896 1,897 46,898 10.621,900 4.872,901 8.156,902 18.859,904 15.232,905 2.656,906 74.361,909 1,910 141.253,911 122.601,912 100.884,913 39.149,914 69.458,916 5.807,917 116.794,918 249.86,919 100.884,920 8.396,921 18.011,922 114.515,923 135.91,924 25.555,925 2.328,926 129.482,927 39.149,928 141.253,929 217.677,930 69.458,931 44.956,933 141.253,934 69.458,937 32.572,938 135.13,939 94.932,941 141.253,942 170.342,943 161.75,945 5.807,946 141.253,947 23.54,948 93.254,949 34.416,950 175.075,951 141.253,952 170.342,953 161.75,955 0.59,956 0.346,957 0.178,958 0.095,959 20,960 10,961 0.109,962 5,964 1,965 3.788,966 241.893,968 18,969 128.606,973 1,974 20.082,975 8.147,976 4.441,978 170.342,979 14.168,980 8.155,984 0.921,986 67.313,987 473.345,988 42,991 -3.948,993 37.412,997 -0.501,999 45.193,1000 49.475,1001 0.353,1002 0.703,1003 0.836,1004 0.919,1005 0.93,1006 0.93,1007 5.001,1008 1.414,1009 5.872,1010 4.056,1011 4.466,1012 5.1,1013 1.176,1014 6.739,1015 4.362,1016 6.261,1017 1.146,1018 7.48,1019 3.271,1020 4.29,1021 5.19,1023 7.966,1024 4.09,1025 7.62,1026 1.127,1027 9.203,1028 2.946,1029 6.163,1030 7.43,1031 1.255,1032 11.016,1033 5.942,1034 9.022,1035 1,1036 10.994,1037 2.758,1038 6.781,1039 8.311,1041 13.062,1042 6.445,1043 10.458,1044 0.271,1045 12.831,1046 2.136,1047 8.198,1048 10.095,1049 1.338,1050 15.731,1051 7.831,1052 11.919,1053 0.066,1054 14.701,1055 0.434,1056 9.152,1057 11.325,1059 18.087,1060 8.667,1061 13.401,1062 -0.12,1063 16.594,1064 0.133,1065 10.417,1066 12.947,1067 1.422,1068 20.657,1069 9.878,1070 3.446,1071 -0.277,1072 18.507,1073 -0.311,1074 11.517,1075 14.339,1077 23.132,1078 10.863,1079 3.034,1080 12.909,1081 20.434,1082 -0.636,1083 12.736,1084 15.903,1085 1.51,1086 25.681,1087 12.008,1088 2.705,1089 9.919,1090 22.374,1091 4.754,1092 13.9,1093 17.373,1095 28.202,1096 13.061,1097 2.458,1098 8.797,1099 24.324,1100 4.075,1101 15.11,1102 18.919,1103 1.599,1104 30.75,1105 14.182,1106 2.209,1107 7.361,1108 26.281,1109 3.64,1110 16.303,1111 20.429,1113 33.29,1114 15.267,1115 1.971,1116 6.37,1117 28.246,1118 3.398,1119 17.515,1120 21.972,1121 1.69,1122 35.841,1123 16.383,1124 1.444,1125 5.189,1126 30.217,1127 3.068,1128 18.724,1129 23.501,1131 38.39,1132 17.484,1133 8783,1134 16836,1135 19.186,1136 31.466,1137 44.832,1138 47.436,1139 47.125,1140 44.692,1141 44.582,1142 61.499,1143 2.117,1144 132.556,1145 42.266,1146 5.726,1147 6.716,1148 7.207,1149 5.431,1150 5.446,1151 7.754,1152 2.117,1153 20.668,1154 5.125,1155 16.455,1156 1.494,1157 1.581,1158 1.571,1159 1.49,1160 1.486,1161 2.05,1162 0.071,1163 4.419,1164 1.409,1165 4.108,1166 4.097,1167 4.744,1168 4.092,1169 7.717,1170 4.02,1171 3.906,1172 3.939,1173 3.953,1174 3.814,1175 7.429,1176 3.811,1177 3.823,1178 3.843,1179 3.814,1180 3.712,1181 6.999,1182 3.705,1183 3.584,1184 3.581,1185 3.762,1186 3.488,1187 5.183,1188 3.435,1189 3.423,1190 3.495,1191 3.405,1192 3.166,1193 4.903,1194 3.186,1195 3.058,1196 3.132,1197 3.223,1198 2.904,1199 4.762,1200 2.898,1201 2.917,1202 2.989,1203 2.796,1204 2.735,1205 4.644,1206 2.727,1207 2.868,1208 2.926,1209 2.764,1210 2.735,1211 4.223,1212 2.715,1213 0.163,1214 0.157,1215 0.247,1216 0.145,1217 0.115,1218 4.896,1219 0.158,1220 4.716,1221 0.035,1222 7.405,1223 0.43,1224 4.36,1225 0.104,1226 3.446,1227 4.754,1228 1.058,1229 12.909,1230 3.125,1231 1.995,1232 2,1233 2.012,1234 2.071,1235 1.204,1236 2.09,1237 1.879,1238 1.849,1239 1.982,1240 1.989,1241 1.056,1242 1.989,1243 1.726,1244 1.704,1245 1.774,1246 1.88,1247 0.796,1248 1.88,1249 1.432,1250 1.449,1251 1.637,1252 1.671,1253 0.668,1254 1.677,1255 1.334,1256 1.26,1257 1.255,1258 1.553,1259 0.539,1260 1.586,1261 1.014,1262 0.962,1263 1.224,1264 1.261,1265 0.238,1266 1.262,1267 0.886,1268 0.821,1269 1.181,1270 1.16,1271 0.218,1272 1.138,1273 0.856,1274 0.802,1275 1.089,1276 1.062,1277 0.176,1278 1.107,1279 4.111,1281 5.451,1283 6.991,1285 8.618,1287 10.289,1289 1.443,1290 6.125,1293 5.692,1296 4.894,1305 30.427,1306 84.792,1307 168.931,1308 200.705,1309 220.705,1310 223.46,1311 223.46,1312 72.534,1313 7.206,1314 127.07,1315 135.45,1316 18,1317 12.565,1318 4.459,1319 3.7,1320 49.538,1321 107,1322 104,1323 0.231,1324 197.402,1325 338.87,1326 473.422,1327 12211,1328 2.3,1329 20.311,1330 0.725,1331 0.58,1332 21.061,1333 16.251,1334 13.314,1335 0.444,1336 0.33,1337 8.077,1338 11.804,1339 7.728,1340 6.442,1341 14.423,1342 9.901,1343 12.453,1344 0.29,1345 0.18,1346 14.106,1347 7.743,1348 10.12,1349 0.184,1350 0.103,1351 11.617,1352 5.648,1353 8.073,1354 0.117,1355 0.058,1356 9.775,1357 3.993,1358 6.316,1359 0.074,1360 0.031,1361 7.505,1362 2.61,1363 0.358,1364 94.936,1365 0.228,1366 26.494,1367 0.647,1368 146,1369 503.539,1370 212.887,1371 540.231,1372 713.61,1373 494,1374 171,1375 469.138,1376 247.523,1377 522.578,1378 760.52,1379 488,1380 6.759}
{0 CHEMBL2152131,1 2.026,2 8.696,3 0.675,4 0.455,5 86.487,6 9.617,7 0.5,8 3.734,9 3.836,10 3.657,11 3.282,12 4.961,13 3.261,14 4.221,15 4.367,16 3.955,17 3.631,18 5.721,19 3.605,20 4.397,21 4.529,22 4.146,23 3.789,24 5.845,25 3.745,26 4.494,27 4.628,28 4.079,29 3.722,30 6.092,31 3.706,32 4.379,33 4.556,34 3.832,35 3.648,36 5.687,37 3.601,38 4.366,39 4.554,40 3.767,41 3.585,42 5.736,43 3.509,44 4.273,45 4.48,46 3.633,47 3.427,48 5.628,49 3.347,50 4.096,51 4.318,52 3.543,53 3.235,54 5.28,55 3.156,56 0.177,57 0.602,58 7.034,59 3.203,60 26.051,61 3.176,62 0.504,63 0.861,64 12.946,65 5.234,66 62.576,67 5.715,68 0.522,69 0.971,70 23.09,71 7.433,72 68.398,73 7.22,74 0.894,75 0.949,76 20.626,77 6.505,78 130.18,79 6.16,80 0.526,81 0.915,82 17.042,83 5.892,84 65.921,85 6.567,86 0.607,87 0.848,88 20.5,89 6.085,90 70.812,91 7.06,92 0.575,93 0.734,94 17.113,95 5.605,96 72.944,97 6.654,98 0.39,99 0.618,100 15.574,101 4.757,102 55.961,103 5.862,104 58,105 35,106 0.365,107 0.722,108 0.82,109 0.872,110 0.872,111 0.872,112 3.189,113 1.03,114 -2.02,115 -2.07,116 -2.06,119 35.1,124 2,142 3,143 1,144 2,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 3,174 1,175 1,177 1,178 4,183 3,186 2,187 5,189 1,190 2,192 1,195 3,198 1,199 9,201 1,202 2,203 1,204 3,206 1,207 1,212 4,217 3,222 1,223 2,224 3,227 1,229 4,234 2,236 2,237 2,240 1,242 2,247 1,262 2,263 1,265 2,266 5,267 2,268 2,270 1,273 1,275 681,276 14.834,277 14.834,278 14.834,279 14.834,280 14.834,281 12.989,282 11.084,283 8.254,284 15.277,285 11.598,286 11.598,287 11.598,288 11.598,289 11.598,290 8.592,291 8.263,292 3.673,293 12.35,294 3.183,295 1.196,296 0.656,297 0.365,298 0.365,299 0.365,300 3.839,301 1,304 1,305 1,306 401,307 3.742,311 156.524,318 1.301,319 40.314,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.833,331 200,332 4.883,333 4.713,334 7.387,335 4.339,336 3.427,337 4.745,338 1.058,339 12.769,340 3.1,341 4.404,342 3.583,343 6.447,344 3.999,345 3.033,346 4.074,348 9.916,349 2.924,350 4.068,351 2.919,352 6.081,353 3.675,354 2.688,355 3.624,357 8.773,358 2.648,359 3.677,360 2.753,361 5.527,362 3.18,363 2.264,364 3.077,366 6.867,367 2.033,368 3.352,369 2.443,370 4.875,371 2.929,372 1.971,373 2.577,375 5.189,376 1.857,377 2.863,378 1.593,379 4.37,380 2.355,381 1.414,382 2.019,384 4.056,385 1.301,386 2.667,387 1.43,388 4.16,389 2.17,390 1.19,391 1.727,393 3.191,394 1.152,395 2.578,396 1.314,397 3.815,398 2.053,399 1.127,400 1.571,402 2.758,403 1.039,404 1.542,405 1.087,406 3.176,407 1.316,408 0.396,409 0.434,411 0.552,412 0.36,413 1.489,414 0.776,415 2.801,416 1.22,417 0.269,418 0.309,420 0.413,421 0.251,422 1.389,423 0.516,424 2.644,425 0.949,426 0.043,427 0.054,428 0.085,429 0.034,430 1.094,431 0.164,432 2.597,433 0.608,434 -0.269,435 -0.343,436 -0.606,437 -0.217,438 1,439 -0.151,440 2.248,441 0.177,442 -0.796,443 -1.112,445 -2.434,446 -0.758,447 0.676,448 -0.505,449 2.119,450 0.119,451 -0.847,452 -1.209,454 -2.61,455 -0.789,456 0.626,457 -0.873,458 2,460 -1,461 -1.41,463 -3,464 -0.938,465 11.048,466 0.48,467 0.79,468 0.034,469 32,470 1.391,471 17,472 0.739,473 15,474 0.652,475 16.08,476 0.699,477 25.552,478 0.691,479 25.981,480 1.13,481 6.385,482 0.278,483 4.412,484 0.192,485 0.282,486 0.075,487 0.317,493 0.67,494 1.448,495 0.706,496 1.17,497 0.737,498 0.856,499 0.654,500 0.953,501 0.696,502 0.745,503 0.582,504 0.686,505 0.982,506 1.139,507 1.008,508 1.137,509 0.97,510 0.919,511 1.381,512 0.985,513 1.125,514 0.987,515 1.495,516 1.054,517 1.092,518 1.162,519 0.915,520 0.965,521 0.972,522 1.023,523 0.946,524 1.032,525 1.129,526 1.084,527 0.86,528 1.155,529 0.915,530 0.97,531 0.837,532 0.895,533 0.965,534 1.039,535 0.827,536 1.217,537 0.713,538 1.065,539 0.91,540 0.995,541 6.5,542 0.017,543 4.222,544 2,545 1.444,546 1.229,547 0.567,548 0.359,549 0.464,550 0.151,551 4556,552 19299,553 1.888,554 37.8,556 9,558 1,559 4,564 1.662,565 1.693,566 3.111,567 1.993,569 1,571 1,573 74.977,574 2.026,575 4.013,576 4.554,577 4.844,578 4.844,579 4.844,580 2.452,581 4.089,582 4.497,583 3.234,584 818.242,585 7.765,586 9163.02,588 1,591 192.75,592 1.771,593 4.392,594 0.271,595 0.002,596 0.121,597 0.051,598 0.041,599 0.041,600 0.022,601 0.016,602 0.026,603 0.009,604 0.601,605 0.17,606 1,607 1.332,608 106.092,609 -0.05,610 -0.161,611 0.117,612 -0.061,613 -0.19,614 0.05,615 0.17,616 0.182,617 0.109,618 0.226,619 0.195,620 0.225,621 -0.066,622 -0.034,623 0.017,624 -0.015,625 -0.027,626 0.039,627 -0.15,628 0.009,629 -0.177,630 -0.083,631 -0.168,632 -0.189,633 -0.234,634 -0.139,635 -0.102,636 -0.064,637 -0.147,638 -0.086,639 -0.056,640 -0.052,641 -0.154,642 -0.151,643 -0.037,644 -0.186,645 0.017,646 -0.053,647 0.04,648 -0.009,649 -0.044,650 -0.053,651 0.019,652 -0.306,653 0.234,654 -0.09,655 -0.091,656 0.049,657 4.649,658 4.965,659 0.522,660 16.896,661 1.035,662 1.137,663 0.791,664 0.626,665 0.695,666 3.219,667 3.584,668 3.829,669 3.989,670 4.19,671 4.234,672 4.29,673 4.344,674 4.419,675 4.277,676 5.3,677 0.673,678 355.84,679 3.219,680 4.779,681 5.631,682 6.524,683 7.397,684 8.292,685 9.171,686 10.066,687 10.948,688 11.843,689 13.5,691 1,693 1,696 1,699 2,704 4,705 2,709 6,711 12,718 1,722 1,730 1,731 37,733 15,734 1,735 24,737 38,738 13,739 10,740 3,741 3,742 1,746 2,747 2,748 1,761 11,762 2,766 3,769 1,771 3,775 1,777 1,778 1,781 14,782 8,783 4,784 10,785 2,790 5,794 1,795 3,802 1,812 2,840 2,842 1,844 2,845 1,848 23,849 1,852 1,855 2,869 1,870 8.1,873 3,877 13.583,878 7.126,879 5.153,880 1.857,881 2.548,882 1.387,883 0.97,884 5.092,885 9.13,886 3.526,887 4.19,888 4.723,889 5.235,890 5.783,891 6.081,892 6.473,893 6.793,894 7.169,895 7.362,896 0.833,897 39,898 8.698,900 3.949,901 8.313,902 15.256,904 12.094,905 2.813,906 64.694,910 117.711,911 80.859,912 100.884,913 39.149,914 69.458,916 5.807,917 75.052,918 226.318,919 100.884,920 16.793,921 18.011,922 83.538,923 119.505,924 22.798,925 2.328,926 105.94,927 39.149,928 117.711,929 175.936,930 69.458,931 44.956,933 117.711,934 69.458,937 48.977,938 93.388,939 78.527,941 117.711,942 170.342,943 120.008,945 5.807,946 117.711,947 20.783,948 54.269,949 34.416,950 175.075,951 117.711,952 170.342,953 120.008,955 0.595,956 0.362,957 0.171,958 0.089,959 16,960 9,961 0.105,962 4,964 1,965 3.24,966 180.399,968 12,969 102.042,973 1,974 17.47,975 6.703,976 3.552,978 170.342,979 5.701,980 8.049,984 0.628,986 67.313,987 408.061,988 33,991 -3.733,993 35.654,997 -0.492,999 38.309,1000 42.06,1001 0.389,1002 0.77,1003 0.874,1004 0.93,1005 0.93,1006 0.93,1007 4.779,1008 1.127,1009 5.694,1010 3.191,1011 4.263,1012 4.875,1013 1.176,1014 6.589,1015 4.141,1016 6.06,1017 0.396,1018 7.332,1019 2.758,1020 4.205,1021 5.112,1023 7.908,1024 3.995,1025 7.444,1026 0.269,1027 9.082,1028 0.552,1029 6.009,1030 7.258,1031 1.255,1032 10.922,1033 5.76,1034 8.869,1035 0.043,1036 10.895,1037 0.413,1038 6.711,1039 8.25,1041 13.005,1042 6.36,1043 10.326,1044 -0.269,1045 12.75,1046 0.085,1047 8.089,1048 9.979,1049 1.338,1050 15.655,1051 7.69,1052 11.806,1053 -0.796,1054 14.633,1055 -0.606,1056 9.088,1057 11.275,1059 18.017,1060 8.584,1061 13.302,1062 -0.847,1063 16.537,1064 -2.434,1065 10.336,1066 12.871,1067 1.422,1068 20.573,1069 9.766,1070 3.427,1071 -1,1072 18.457,1073 -2.61,1074 11.455,1075 14.298,1077 23.042,1078 10.78,1079 3.033,1080 12.769,1081 20.389,1082 -3,1083 12.667,1084 15.851,1085 1.51,1086 25.578,1087 11.91,1088 2.688,1089 9.916,1090 22.333,1091 4.745,1092 13.836,1093 17.338,1095 28.089,1096 12.975,1097 2.264,1098 8.773,1099 24.284,1100 4.074,1101 15.041,1102 18.879,1103 1.599,1104 30.625,1105 14.087,1106 1.971,1107 6.867,1108 26.243,1109 3.624,1110 16.234,1111 20.395,1113 33.154,1114 15.175,1115 1.414,1116 5.189,1117 28.208,1118 3.077,1119 17.442,1120 21.936,1121 1.69,1122 35.693,1123 16.283,1124 1.19,1125 4.056,1126 30.178,1127 2.577,1128 18.647,1129 23.468,1131 38.231,1132 17.383,1133 4793,1134 9989,1135 14.622,1136 25.705,1137 35.577,1138 38.452,1139 39.173,1140 35.747,1141 35.646,1142 48.419,1143 2.117,1144 109.137,1145 33.398,1146 5.623,1147 6.713,1148 6.93,1149 5.409,1150 5.427,1151 7.745,1152 2.117,1153 20.353,1154 5.1,1155 15.658,1156 1.482,1157 1.602,1158 1.632,1159 1.489,1160 1.485,1161 2.017,1162 0.088,1163 4.547,1164 1.392,1165 4.093,1166 4.081,1167 4.742,1168 4.08,1169 7.717,1170 4.006,1171 3.876,1172 3.895,1173 3.952,1174 3.735,1175 7.429,1176 3.725,1177 3.629,1178 3.649,1179 3.796,1180 3.513,1181 6.999,1182 3.475,1183 3.427,1184 3.51,1185 3.405,1186 3.168,1187 5.183,1188 3.189,1189 3.121,1190 3.196,1191 3.223,1192 2.913,1193 4.902,1194 2.906,1195 3.048,1196 3.118,1197 2.911,1198 2.866,1199 4.644,1200 2.837,1201 2.917,1202 2.989,1203 2.794,1204 2.643,1205 4.225,1206 2.653,1207 2.725,1208 2.801,1209 2.731,1210 2.508,1211 4.184,1212 2.503,1213 0.203,1214 0.196,1215 0.308,1216 0.181,1217 0.143,1218 4.883,1219 0.198,1220 4.713,1221 0.044,1222 7.387,1223 0.532,1224 4.339,1225 0.129,1226 3.427,1227 4.745,1228 1.058,1229 12.769,1230 3.1,1231 1.984,1232 1.99,1233 1.99,1234 2.063,1235 1.198,1236 2.078,1237 1.742,1238 1.723,1239 1.777,1240 1.92,1241 0.827,1242 1.916,1243 1.504,1244 1.496,1245 1.661,1246 1.72,1247 0.724,1248 1.737,1249 1.348,1250 1.265,1251 1.63,1252 1.641,1253 0.63,1254 1.645,1255 1.081,1256 1.009,1257 1.228,1258 1.319,1259 0.416,1260 1.364,1261 1.004,1262 0.951,1263 1.132,1264 1.245,1265 0.238,1266 1.255,1267 0.809,1268 0.744,1269 1.062,1270 1.16,1271 0.016,1272 1.138,1273 0.692,1274 0.609,1275 0.879,1276 0.928,1278 0.962,1279 3.892,1281 5.242,1283 6.797,1285 8.437,1287 10.119,1289 2.723,1290 5.937,1293 5.627,1296 4.599,1305 24.9,1306 74.977,1307 148.485,1308 168.485,1309 179.24,1310 179.24,1311 179.24,1312 65.683,1313 6.582,1314 127.07,1315 135.45,1316 12,1317 12.371,1318 4,1319 3.322,1320 45.085,1321 73,1322 70,1323 0.314,1324 165.616,1325 283.55,1326 395.864,1327 4991,1328 2.7,1329 17.198,1330 0.748,1331 0.603,1332 17.948,1333 13.865,1334 10.796,1335 0.45,1336 0.343,1337 6.408,1338 9.199,1339 6.055,1340 5.069,1341 11.906,1342 8.24,1343 10.099,1344 0.289,1345 0.191,1346 11.826,1347 6.683,1348 8.492,1349 0.189,1350 0.109,1351 10.037,1352 4.924,1353 6.049,1354 0.114,1355 0.058,1356 7.332,1357 3.051,1358 4.735,1359 0.073,1360 0.03,1361 5.579,1362 1.96,1363 0.478,1364 79.979,1365 0.262,1366 22.086,1367 0.903,1368 118,1369 443.539,1370 184.221,1371 476.294,1372 621.4,1373 434,1374 139,1375 396.293,1376 211.517,1377 446.497,1378 650.14,1379 416,1380 6.848}
{0 CHEMBL2152132,1 2.076,2 8.091,3 0.397,4 0.158,5 82.774,6 10.053,7 0.522,8 3.662,9 3.761,10 3.622,11 3.223,12 4.932,13 3.208,14 4.128,15 4.252,16 3.899,17 3.565,18 5.757,19 3.553,20 4.321,21 4.451,22 4.08,23 3.707,24 5.798,25 3.673,26 4.37,27 4.503,28 4.031,29 3.636,30 6.003,31 3.619,32 4.302,33 4.487,34 3.715,35 3.523,36 5.643,37 3.484,38 4.2,39 4.38,40 3.69,41 3.417,42 5.663,43 3.371,44 4.147,45 4.348,46 3.562,47 3.289,48 5.586,49 3.224,50 3.935,51 4.144,52 3.464,53 3.085,54 5.18,55 3.016,56 0.187,57 0.563,58 5.883,59 2.894,60 35.431,61 2.562,62 0.472,63 0.794,64 11.137,65 4.861,66 79.079,67 4.971,68 0.562,69 0.892,70 16.994,71 6.221,72 82.933,73 5.841,74 0.754,75 0.871,76 16.71,77 5.794,78 109.134,79 5.408,80 0.58,81 0.833,82 17.197,83 5.409,84 81.696,85 5.68,86 0.538,87 0.749,88 13.106,89 4.768,90 71.435,91 5.138,92 0.581,93 0.638,94 14.779,95 4.811,96 81.386,97 5.309,98 0.373,99 0.517,100 13.04,101 4.205,102 62.254,103 4.893,104 55,105 34,106 0.38,107 0.743,108 0.848,109 0.874,110 0.874,111 0.874,112 3.147,113 1.022,114 -1.76,115 -1.82,116 -1.84,119 35.3,124 1,142 3,143 1,144 2,145 1,146 2,147 1,158 1,163 2,164 2,165 2,172 3,174 1,175 1,177 3,178 4,183 3,186 2,187 5,189 1,190 2,192 1,195 3,197 1,198 1,199 9,201 1,202 2,203 1,204 3,206 1,207 1,209 3,212 4,217 3,222 2,223 2,224 3,226 1,227 1,229 4,234 2,236 2,237 2,239 1,240 1,242 2,247 1,262 2,263 1,265 3,266 5,267 2,268 2,270 3,273 1,274 1,275 592,276 13.911,277 13.911,278 13.911,279 13.911,280 13.911,281 12.028,282 11.12,283 7.8,284 14.358,285 11.222,286 11.222,287 11.222,288 11.222,289 11.222,290 8.236,291 8.305,292 3.572,293 11.959,294 3.012,295 1.033,296 0.456,297 0.316,298 0.316,299 0.316,300 3.796,301 1,304 1,305 1,306 357,307 3.606,311 148.117,318 1.281,319 40.012,322 1,323 1,324 1,325 0.4,327 0.83,328 0.5,329 0.68,330 49.833,331 178,332 4.848,333 4.692,334 7.242,335 4.293,336 3.382,337 4.714,338 1.058,339 12.191,340 3.057,341 4.403,342 3.583,343 6.446,344 3.996,345 3.03,346 4.073,348 9.911,349 2.915,350 4.061,351 2.912,352 6.07,353 3.665,354 2.678,355 3.615,357 8.74,358 2.636,359 3.668,360 2.747,361 5.397,362 3.154,363 2.238,364 3.07,366 6.657,367 2.013,368 3.352,369 2.443,370 4.875,371 2.927,372 1.971,373 2.577,375 5.188,376 1.852,377 2.862,378 1.553,379 4.37,380 2.355,381 1.414,382 2.019,384 4.056,385 1.298,386 2.658,387 1.32,388 4.026,389 2.141,390 1.153,391 1.711,393 3.122,394 1.13,395 2.578,396 1.294,397 3.815,398 2.053,399 1.127,400 1.571,402 2.758,403 1.039,404 1.49,405 1.087,406 2.902,407 1.221,408 0.271,409 0.311,411 0.431,412 0.252,413 1.391,414 0.645,415 2.769,416 0.954,417 0.055,418 0.069,420 0.11,421 0.043,422 1.094,423 0.181,424 2.602,425 0.614,426 -0.262,427 -0.331,428 -0.594,429 -0.212,430 1,431 -0.117,432 2.249,433 0.179,434 -0.794,435 -1.064,436 -2.434,437 -0.753,438 0.677,439 -0.505,440 2.12,441 0.12,442 -0.846,443 -1.188,445 -2.605,446 -0.788,447 0.628,448 -0.873,449 2,451 -1,452 -1.28,454 -3,455 -0.938,456 0.294,457 -0.92,458 2,460 -1,461 -1.41,463 -3,464 -1,465 10.548,466 0.479,467 0.851,468 0.039,469 31.25,470 1.42,471 17,472 0.773,473 14.25,474 0.648,475 14.973,476 0.681,477 24.252,478 0.713,479 24.602,480 1.118,481 6.158,482 0.28,483 4.078,484 0.185,485 0.286,486 0.079,487 0.332,493 0.705,494 1.321,495 0.711,496 1.1,497 0.821,498 0.774,499 0.612,500 1.035,501 0.747,502 0.865,503 0.512,504 0.744,505 1.034,506 1.054,507 0.83,508 0.895,509 1.038,510 0.912,511 1.069,512 1.06,513 1.095,514 1.076,515 1.07,516 1.11,517 1.141,518 1.108,519 0.979,520 0.958,521 1.005,522 1.011,523 0.902,524 1.071,525 0.842,526 0.982,527 0.882,528 1.076,529 1.008,530 0.885,531 0.878,532 0.84,533 1.049,534 1,535 0.848,536 1.238,537 0.726,538 1.12,539 0.976,540 1.013,541 6.5,543 3.778,544 2,545 1.364,546 1.201,547 0.527,548 0.359,549 0.451,550 0.096,551 4047,552 18302,553 1.883,554 35.3,556 6,558 1,559 5,564 1.649,565 1.682,566 3.025,567 2.913,569 1,573 70.57,574 2.076,575 4.055,576 4.631,577 4.771,578 4.771,579 4.771,580 2.461,581 2.936,582 4.434,583 3.177,584 733.993,585 7.635,586 7970.95,588 1,591 172.974,592 1.78,593 4.322,594 0.283,596 0.111,597 0.056,598 0.041,599 0.044,600 0.022,601 0.018,602 0.028,603 0.007,604 0.61,605 0.33,606 1,607 1.246,608 99.771,609 -0.088,610 -0.044,611 0.101,612 -0.004,613 -0.244,614 0.105,615 0.191,616 0.095,617 0.035,618 0.11,619 0.279,620 0.156,621 -0.121,622 -0.001,623 0.044,624 0.069,625 -0.123,626 0.001,627 -0.026,628 -0.051,629 -0.143,630 -0.171,631 -0.038,632 -0.232,633 -0.266,634 -0.127,635 -0.132,636 -0.062,637 -0.168,638 -0.056,639 -0.033,640 -0.064,641 -0.035,642 -0.088,643 -0.03,644 -0.137,645 -0.032,646 0.018,647 0.035,648 0.048,649 -0.085,650 -0.008,651 0.035,652 -0.356,653 0.279,654 -0.106,655 -0.099,656 0.073,657 4.904,658 4.668,659 0.545,660 15.339,661 1.042,662 1.137,663 0.527,664 0.278,665 0.704,666 3.178,667 3.555,668 3.761,669 3.951,670 4.143,671 4.19,672 4.234,673 4.277,674 4.344,675 4.159,676 5.134,677 0.687,678 341.81,679 3.178,680 4.745,681 5.587,682 6.485,683 7.349,684 8.247,685 9.118,686 10.015,687 10.89,688 11.786,689 14.7,693 2,696 1,699 2,704 4,705 2,709 6,711 12,718 1,722 1,730 1,731 34,733 15,734 1,735 23,737 35,738 12,739 10,740 3,741 3,742 1,746 2,747 2,748 1,761 11,762 1,766 3,769 1,771 3,775 1,777 1,778 1,781 12,782 8,783 5,784 10,785 2,790 5,794 1,795 3,802 1,812 2,840 2,842 1,844 1,845 1,848 22,849 2,852 1,855 1,869 1,870 8.8,873 3,877 13.083,878 6.21,879 4.778,880 1.62,881 2.559,882 1.394,883 0.982,884 4.559,885 9.055,886 3.497,887 4.174,888 4.677,889 5.219,890 5.764,891 6.06,892 6.446,893 6.759,894 7.135,895 7.313,896 1,897 36,898 8.353,900 3.877,901 8.418,902 14.416,904 11.509,905 2.918,906 64.194,910 82.398,911 72.463,912 115.77,913 39.149,914 69.458,916 5.807,917 66.656,918 191.004,919 115.77,920 8.396,921 18.011,922 98.425,923 119.505,924 22.798,925 2.328,926 70.627,927 39.149,928 82.398,929 182.426,930 69.458,931 44.956,933 82.398,934 69.458,937 32.572,938 116.283,939 78.527,941 82.398,942 185.228,943 111.612,945 5.807,946 82.398,947 20.783,948 45.873,949 18.011,950 206.366,951 82.398,952 185.228,953 111.612,955 0.602,956 0.346,957 0.169,958 0.088,959 16,960 9,961 0.086,962 3,964 1,965 3.162,966 169.42,968 12,969 96.107,973 1,974 16.487,975 6.083,976 3.491,978 185.228,979 5.475,980 7.967,984 0.282,986 82.199,987 379.238,988 32,991 -3.987,993 34.64,997 -0.507,999 35.425,1000 38.645,1001 0.408,1002 0.797,1003 0.91,1004 0.938,1005 0.938,1006 0.938,1007 4.754,1008 1.127,1009 5.659,1010 3.122,1011 4.234,1012 4.86,1013 1.176,1014 6.547,1015 4.112,1016 6.044,1017 0.271,1018 7.291,1019 2.758,1020 4.205,1021 5.112,1023 7.818,1024 3.995,1025 7.428,1026 0.055,1027 9.032,1028 0.431,1029 5.974,1030 7.242,1031 1.255,1032 10.82,1033 5.724,1034 8.851,1035 -0.262,1036 10.835,1037 0.11,1038 6.673,1039 8.229,1041 12.833,1042 6.322,1043 10.303,1044 -0.794,1045 12.677,1046 -0.594,1047 8.039,1048 9.955,1049 1.338,1050 15.461,1051 7.641,1052 11.777,1053 -0.846,1054 14.545,1055 -2.434,1056 9.026,1057 11.241,1059 17.755,1060 8.522,1061 13.267,1062 -1,1063 16.432,1064 -2.605,1065 10.264,1066 12.835,1067 1.422,1068 20.273,1069 9.698,1070 3.382,1071 -1,1072 18.334,1073 -3,1074 11.369,1075 14.252,1077 22.68,1078 10.697,1079 3.03,1080 12.191,1081 20.247,1082 -3,1083 12.569,1084 15.8,1085 1.51,1086 25.169,1087 11.819,1088 2.678,1089 9.911,1090 22.171,1091 4.714,1092 13.724,1093 17.278,1095 27.624,1096 12.871,1097 2.238,1098 8.74,1099 24.101,1100 4.073,1101 14.917,1102 18.814,1103 1.599,1104 30.11,1105 13.973,1106 1.971,1107 6.657,1108 26.039,1109 3.615,1110 16.095,1111 20.322,1113 32.585,1114 15.048,1115 1.414,1116 5.188,1117 27.982,1118 3.07,1119 17.289,1120 21.856,1121 1.69,1122 35.074,1123 16.145,1124 1.153,1125 4.056,1126 29.93,1127 2.577,1128 18.479,1129 23.38,1131 37.56,1132 17.231,1133 4259,1134 9184,1135 13.929,1136 23.943,1137 34.798,1138 37.5,1139 37.176,1140 34.737,1141 34.64,1142 47.457,1143 2.117,1144 106.33,1145 32.471,1146 5.574,1147 6.692,1148 6.785,1149 5.362,1150 5.382,1151 7.714,1152 2.117,1153 19.617,1154 5.057,1155 15.153,1156 1.513,1157 1.63,1158 1.616,1159 1.51,1160 1.506,1161 2.063,1162 0.092,1163 4.623,1164 1.412,1165 4.086,1166 4.075,1167 4.736,1168 4.073,1169 7.726,1170 4.001,1171 3.87,1172 3.887,1173 3.951,1174 3.73,1175 7.429,1176 3.72,1177 3.608,1178 3.612,1179 3.795,1180 3.5,1181 6.999,1182 3.45,1183 3.424,1184 3.501,1185 3.405,1186 3.166,1187 5.183,1188 3.186,1189 3.058,1190 3.132,1191 3.223,1192 2.904,1193 4.917,1194 2.897,1195 2.917,1196 2.989,1197 2.794,1198 2.644,1199 4.795,1200 2.653,1201 2.738,1202 2.824,1203 2.731,1204 2.544,1205 4.644,1206 2.536,1207 2.656,1208 2.731,1209 2.567,1210 2.46,1211 4.221,1212 2.46,1213 0.211,1214 0.204,1215 0.315,1216 0.187,1217 0.147,1218 4.848,1219 0.205,1220 4.692,1221 0.046,1222 7.242,1223 0.53,1224 4.293,1225 0.133,1226 3.382,1227 4.714,1228 1.058,1229 12.191,1230 3.057,1231 1.982,1232 1.986,1233 1.989,1234 2.061,1235 1.18,1236 2.073,1237 1.737,1238 1.717,1239 1.775,1240 1.911,1241 0.791,1242 1.906,1243 1.45,1244 1.465,1245 1.637,1246 1.683,1247 0.659,1248 1.695,1249 1.337,1250 1.26,1251 1.28,1252 1.596,1253 0.486,1254 1.616,1255 1.013,1256 0.961,1257 1.224,1258 1.262,1259 0.238,1260 1.262,1261 0.81,1262 0.745,1263 1.064,1264 1.16,1265 0.021,1266 1.138,1267 0.724,1268 0.637,1269 1.05,1270 0.975,1272 1.008,1273 0.594,1274 0.527,1275 0.804,1276 0.851,1278 0.87,1279 3.85,1281 5.209,1283 6.76,1285 8.395,1287 10.072,1289 1.428,1290 5.818,1293 10.692,1296 2.387,1305 23.373,1306 70.57,1307 137.854,1308 157.464,1309 162.219,1310 162.219,1311 162.219,1312 60.335,1313 6.495,1314 141.06,1315 149.44,1316 12,1317 12.315,1318 4,1319 3.322,1320 42.06,1321 68,1322 64,1323 0.317,1324 156.024,1325 266.25,1326 372.458,1327 4455,1328 2.9,1329 16.491,1330 0.75,1331 0.588,1332 17.241,1333 12.942,1334 10.235,1335 0.445,1336 0.341,1337 5.961,1338 8.757,1339 5.649,1340 4.706,1341 11.418,1342 7.835,1343 10.123,1344 0.298,1345 0.182,1346 11.862,1347 6.195,1348 7.689,1349 0.183,1350 0.099,1351 8.833,1352 4.169,1353 5.905,1354 0.116,1355 0.054,1356 7.152,1357 2.775,1358 4.519,1359 0.073,1360 0.026,1361 5.167,1362 1.632,1363 0.481,1364 77.067,1365 0.268,1366 21.23,1367 0.914,1368 114,1369 434.518,1370 176.519,1371 470.637,1372 608.72,1373 426,1374 133,1375 387.362,1376 202.404,1377 437.726,1378 632.55,1379 406,1380 7.013}
{0 CHEMBL2152133,1 2.259,2 10.185,3 1.682,4 2.83,5 91.937,6 10.596,7 0.429,8 3.834,9 3.927,10 3.793,11 3.339,12 5.138,13 3.359,14 4.369,15 4.499,16 4.184,17 3.685,18 6.279,19 3.712,20 4.549,21 4.695,22 4.277,23 3.846,24 6.1,25 3.826,26 4.59,27 4.713,28 4.324,29 3.795,30 6.195,31 3.813,32 4.562,33 4.706,34 4.18,35 3.725,36 6.504,37 3.757,38 4.474,39 4.638,40 4.049,41 3.694,42 5.986,43 3.683,44 4.503,45 4.68,46 4.153,47 3.575,48 6.188,49 3.6,50 4.292,51 4.491,52 3.84,53 3.364,54 5.727,55 3.38,56 0.341,57 0.836,58 5.045,59 3.586,60 67.328,61 2.926,62 1.15,63 1.523,64 11.465,65 6.016,66 191.893,67 5.407,68 1.149,69 1.225,70 23.247,71 8.179,72 176.129,73 6.953,74 1.215,75 1.245,76 21.961,77 7.841,78 220.287,79 5.833,80 1.477,81 1.176,82 16.78,83 6.675,84 273.668,85 6.253,86 0.968,87 1.176,88 17.024,89 6.717,90 135.585,91 6.755,92 1.338,93 1.116,94 21.501,95 7.149,96 190.12,97 6.605,98 0.927,99 0.968,100 15.923,101 5.646,102 147.853,103 5.866,104 92,105 42,106 0.4,107 0.752,108 0.853,109 0.874,110 0.874,111 0.874,112 3.34,113 0.966,114 -2.65,115 -2.67,116 -2.6,119 35,124 1,125 1,132 1,142 3,143 1,144 2,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 3,174 1,175 1,177 1,178 4,183 3,186 2,187 5,189 1,190 2,192 1,195 3,198 1,199 9,201 1,202 2,203 1,204 3,206 1,207 1,212 4,217 3,222 1,223 2,224 3,227 1,229 4,234 2,236 2,237 2,240 1,242 2,247 1,262 2,263 1,265 2,266 5,267 2,268 2,270 1,273 1,275 1088,276 16.773,277 16.773,278 16.773,279 16.773,280 16.773,281 14.928,282 13.261,283 9.346,284 17.498,285 13.671,286 13.671,287 13.671,288 13.671,289 13.671,290 10.692,291 10.034,292 4.31,293 14.972,294 3.063,295 1.078,296 0.507,297 0.388,298 0.388,299 0.388,300 3.991,301 1,304 1,305 1,306 550,307 4.583,311 192.364,318 1.553,319 66.181,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 64.333,331 275,332 4.888,333 4.715,334 7.395,335 4.351,336 3.44,337 4.747,338 3.02,339 12.833,340 3.109,341 4.405,342 4.26,343 6.447,344 4.002,345 3.086,346 4.075,347 1.058,348 9.955,349 2.926,350 4.106,351 3.583,352 6.393,353 3.879,354 3.029,355 3.625,357 9.908,358 2.654,359 4.051,360 2.92,361 6.08,362 3.67,363 2.686,364 3.108,366 8.776,367 2.42,368 3.676,369 2.753,370 5.533,371 3.178,372 2.263,373 3.056,375 6.912,376 2.028,377 3.352,378 2.443,379 4.875,380 2.929,381 1.971,382 2.577,384 5.189,385 1.857,386 2.863,387 1.625,388 4.37,389 2.355,390 1.414,391 2.019,393 4.056,394 1.301,395 2.667,396 1.47,397 4.191,398 2.174,399 1.199,400 1.728,402 3.254,403 1.154,404 2.578,405 1.314,406 3.816,407 2.053,408 1.127,409 1.571,411 2.759,412 1.039,413 1.759,414 1.087,415 3.444,416 1.534,417 0.632,418 0.685,420 1.524,421 0.562,422 1.49,423 0.952,424 2.933,425 1.221,426 0.27,427 0.311,428 0.428,429 0.251,430 1.39,431 0.603,432 2.785,433 0.952,434 0.05,435 0.062,436 0.1,437 0.039,438 1.094,439 0.51,440 2.606,441 0.61,442 -0.266,443 -0.337,445 -0.603,446 -0.215,447 1,448 0.51,449 2.564,450 0.178,451 -0.795,452 -1,454 -2.434,455 -0.7,456 0.676,457 0.173,458 2.248,459 0.119,460 -0.847,461 -1,463 -2.61,464 -0.7,465 12.405,466 0.459,467 1.143,468 0.042,469 34.75,470 1.287,471 17,472 0.63,473 17.75,474 0.657,475 21.181,476 0.784,477 31.395,478 0.785,479 32.408,480 1.2,481 7.076,482 0.262,483 5.367,484 0.199,485 0.28,486 0.107,487 0.282,490 3,493 0.646,494 1.14,495 0.671,496 1.174,497 0.706,498 0.855,499 0.512,500 0.78,501 0.671,502 0.812,503 0.477,504 0.777,505 0.927,506 0.755,507 1.055,508 0.969,509 0.953,510 0.939,511 0.989,512 0.862,513 1.147,514 1.188,515 1.113,516 1.109,517 0.72,518 0.918,519 0.828,520 0.884,521 0.634,522 0.966,523 0.793,524 0.96,525 1.02,526 1.08,527 0.725,528 1.147,529 0.966,530 1.088,531 0.905,532 1.023,533 0.983,534 1.044,535 0.997,536 1.234,537 0.75,538 1.096,539 0.999,540 1.018,541 9,542 0.112,543 4.667,544 2.25,545 2.004,546 1.451,547 0.832,548 0.503,549 0.624,550 0.221,551 7288,552 38217,553 1.856,554 32.5,556 8,558 1,559 4,564 1.704,565 1.653,566 3.304,567 1.918,568 1,569 1,573 90.349,574 2.259,575 4.244,576 4.815,577 4.934,578 4.934,579 4.934,580 2.745,581 4.255,582 4.725,583 3.493,584 1226.05,585 8.223,586 15574.6,588 1,590 1,591 212.877,592 1.84,593 4.606,594 0.321,595 0.007,596 0.111,597 0.052,598 0.049,599 0.035,600 0.024,601 0.015,602 0.024,603 0.009,604 0.649,605 0.17,606 1,607 1.613,608 132.932,609 -0.071,610 -0.126,611 0.081,612 -0.057,613 -0.147,614 0.054,615 0.329,616 0.273,617 0.104,618 0.168,619 0.355,620 0.12,621 -0.102,622 0.194,623 -0.058,624 0.127,625 -0.125,626 0.037,627 -0.151,628 -0.064,629 -0.113,630 -0.155,631 -0.228,632 -0.177,633 0.172,634 -0.035,635 -0.021,636 0.009,637 0.286,638 -0.042,639 -0.064,640 -0.16,641 -0.082,642 -0.15,643 -0.034,644 -0.145,645 0.016,646 -0.152,647 0.141,648 -0.099,649 -0.04,650 -0.031,651 -0.103,652 -0.328,653 0.198,654 -0.135,655 -0.13,656 0.053,657 5.984,658 5.143,659 0.444,660 24.107,661 1.068,662 1.162,663 1.419,664 2.013,665 0.682,666 3.367,667 3.761,668 3.912,669 4.094,670 4.344,671 4.357,672 4.443,673 4.5,674 4.605,675 4.533,676 6.18,677 0.689,678 423.84,679 3.367,680 4.949,681 5.778,682 6.681,683 7.537,684 8.438,685 9.307,686 10.205,687 11.081,688 11.979,689 12.5,691 1,693 1,696 1,699 2,704 4,705 2,709 6,711 12,718 1,722 1,730 1,731 40,733 15,734 1,735 28,737 41,738 14,739 10,740 3,741 3,742 1,746 2,747 2,748 1,752 1,757 1,761 11,762 3,766 3,769 1,771 3,775 1,778 1,779 3,781 13,782 11,783 4,784 13,785 2,790 5,794 1,795 3,802 1,812 2,840 2,842 1,844 1,845 1,846 3,848 27,849 1,852 1,854 1,855 2,860 1,869 4,870 7.5,873 3,877 16.333,878 7.305,879 5.778,880 1.964,881 2.506,882 1.364,883 0.967,884 6.2,885 9.386,886 3.638,887 4.29,888 4.758,889 5.277,890 5.837,891 6.115,892 6.514,893 6.841,894 7.229,895 7.444,896 0.857,897 43,898 11.079,900 5.894,901 8.813,902 17.32,904 13.842,905 3.313,906 89.444,910 105.94,911 82.328,912 100.884,913 39.149,914 69.458,915 44.88,916 5.807,917 76.521,918 214.546,919 145.764,920 8.396,921 20.116,922 83.538,923 119.505,924 67.678,925 2.328,926 94.169,927 46.908,928 105.94,929 177.405,930 114.338,931 44.956,933 105.94,934 114.338,937 58.842,938 84.992,939 78.527,941 150.82,942 170.342,943 121.477,945 5.807,946 113.699,947 22.889,948 45.873,949 34.416,950 219.955,951 105.94,952 215.222,953 121.477,955 0.607,956 0.328,957 0.155,958 0.092,959 19,960 11,961 0.122,962 5,964 1,965 3.557,966 223.793,968 12,969 121.627,973 1,974 21.225,975 7.886,976 5.222,978 215.222,979 4.759,980 7.829,984 -0.97,986 67.313,987 442.639,988 37,991 -4.548,993 36.036,997 -0.615,999 42.731,1000 46.494,1001 0.424,1002 0.797,1003 0.905,1004 0.927,1005 0.927,1006 0.927,1007 4.92,1008 1.199,1009 5.878,1010 4.056,1011 4.443,1012 4.977,1013 2.829,1014 6.777,1015 4.274,1016 6.212,1017 1.127,1018 7.519,1019 3.254,1020 4.511,1021 5.247,1022 3.075,1023 8.169,1024 4.178,1025 7.598,1026 0.632,1027 9.271,1028 2.759,1029 6.232,1030 7.327,1031 4.576,1032 11.112,1033 5.885,1034 9.021,1035 0.27,1036 11.085,1037 1.524,1038 6.995,1039 8.318,1040 5.466,1041 13.207,1042 6.487,1043 10.471,1044 0.05,1045 12.937,1046 0.428,1047 8.339,1048 10.022,1049 6.667,1050 15.823,1051 7.795,1052 11.942,1053 -0.266,1054 14.815,1055 0.1,1056 9.357,1057 11.31,1058 7.721,1059 18.174,1060 8.677,1061 13.429,1062 -0.795,1063 16.711,1064 -0.603,1065 10.589,1066 12.895,1067 8.85,1068 20.711,1069 9.849,1070 3.44,1071 -0.847,1072 18.622,1073 -2.434,1074 11.708,1075 14.316,1076 9.943,1077 23.167,1078 10.852,1079 3.086,1080 12.833,1081 20.544,1082 -2.61,1083 12.908,1084 15.865,1085 11.055,1086 25.692,1087 11.976,1088 3.029,1089 9.955,1090 22.476,1091 4.747,1092 14.072,1093 17.349,1094 12.157,1095 28.195,1096 13.034,1097 2.686,1098 9.908,1099 24.417,1100 4.075,1101 15.267,1102 18.888,1103 13.264,1104 30.725,1105 14.143,1106 2.263,1107 8.776,1108 26.366,1109 3.625,1110 16.452,1111 20.403,1112 14.368,1113 33.251,1114 15.227,1115 1.971,1116 6.912,1117 28.321,1118 3.108,1119 17.651,1120 21.943,1121 15.474,1122 35.788,1123 16.333,1124 1.414,1125 5.189,1126 30.281,1127 3.056,1128 18.848,1129 23.475,1130 16.579,1131 38.325,1132 17.431,1133 7615,1134 17641,1135 16.701,1136 27.279,1137 42.735,1138 44.45,1139 45.086,1140 42.65,1141 42.336,1142 55.125,1143 8.157,1144 131.389,1145 38.68,1146 5.777,1147 6.715,1148 6.938,1149 5.422,1150 5.44,1151 7.747,1152 4.53,1153 20.496,1154 5.109,1155 19.964,1156 1.526,1157 1.587,1158 1.61,1159 1.523,1160 1.512,1161 1.969,1162 0.291,1163 4.692,1164 1.381,1165 4.097,1166 4.085,1167 4.743,1168 4.082,1169 8.513,1170 4.008,1171 3.879,1172 3.901,1173 3.952,1174 3.737,1175 7.999,1176 3.728,1177 3.667,1178 3.706,1179 3.798,1180 3.523,1181 7.999,1182 3.503,1183 3.476,1184 3.528,1185 3.54,1186 3.204,1187 7.717,1188 3.233,1189 3.413,1190 3.444,1191 3.405,1192 3.156,1193 7.429,1194 3.171,1195 3.057,1196 3.13,1197 3.223,1198 2.903,1199 6.999,1200 2.896,1201 2.917,1202 2.989,1203 2.795,1204 2.644,1205 5.183,1206 2.653,1207 2.741,1208 2.824,1209 2.731,1210 2.532,1211 4.902,1212 2.53,1213 0.175,1214 0.168,1215 0.264,1216 0.155,1217 0.123,1218 4.888,1219 0.17,1220 4.715,1221 0.108,1222 7.395,1223 0.458,1224 4.351,1225 0.111,1226 3.44,1227 4.747,1228 3.02,1229 12.833,1230 3.109,1231 1.985,1232 1.991,1233 1.989,1234 2.065,1235 1.204,1236 2.079,1237 1.745,1238 1.725,1239 1.776,1240 1.929,1241 0.898,1242 1.92,1243 1.54,1244 1.52,1245 1.651,1246 1.779,1247 0.768,1248 1.761,1249 1.356,1250 1.28,1251 1.625,1252 1.659,1253 0.647,1254 1.654,1255 1.224,1256 1.21,1257 1.228,1258 1.47,1259 0.454,1260 1.463,1261 1.011,1262 0.959,1263 1.135,1264 1.259,1265 0.238,1266 1.259,1267 0.81,1268 0.744,1269 1.062,1270 1.16,1271 0.018,1272 1.138,1273 0.704,1274 0.623,1275 0.889,1276 0.964,1278 0.977,1279 4.043,1281 5.416,1283 6.965,1285 8.59,1287 10.257,1289 1.357,1290 5.827,1291 36.93,1293 5.58,1295 -1.752,1296 3.747,1301 -4.734,1305 27.577,1306 90.349,1307 169.758,1308 192.612,1309 197.367,1310 197.367,1311 197.367,1312 102.245,1313 6.879,1314 127.07,1315 135.45,1316 12,1317 12.506,1318 4,1319 3.322,1320 58.225,1321 100,1322 94,1323 0.292,1324 178.803,1325 319.06,1326 428.04,1327 7564,1328 10,1329 20.405,1330 0.756,1331 0.563,1332 18.655,1333 15.206,1334 12.443,1335 0.444,1336 0.322,1337 7.111,1338 10.605,1339 6.854,1340 5.627,1341 12.406,1342 9.014,1343 12.806,1344 0.305,1345 0.174,1346 12.171,1347 7.296,1348 9.1,1349 0.186,1350 0.104,1351 10.012,1352 5.105,1353 6.669,1354 0.113,1355 0.059,1356 8.183,1357 3.485,1358 5.711,1359 0.075,1360 0.03,1361 5.706,1362 2.297,1363 0.452,1364 92.004,1365 0.245,1366 25.607,1367 0.822,1368 140,1369 723.872,1370 223.571,1371 660.324,1372 832.2,1373 600,1374 161,1375 520.574,1376 244.874,1377 549.187,1378 815.3,1379 512,1380 6.124}
{0 CHEMBL2152134,1 1.813,2 10.759,3 1.849,4 3.417,5 109.704,6 8.615,7 0.581,8 3.988,9 4.088,10 3.804,11 3.532,12 5.196,13 3.519,14 4.471,15 4.608,16 4.08,17 3.872,18 5.888,19 3.853,20 4.654,21 4.802,22 4.233,23 4.009,24 5.993,25 3.978,26 4.754,27 4.899,28 4.255,29 4.023,30 6.219,31 3.983,32 4.781,33 4.949,34 4.155,35 4.017,36 6.125,37 3.977,38 4.767,39 4.944,40 4.051,41 3.954,42 6.147,43 3.92,44 4.68,45 4.865,46 3.962,47 3.905,48 5.96,49 3.854,50 4.625,51 4.825,52 3.9,53 3.846,54 5.747,55 3.773,56 0.167,57 0.76,58 10.471,59 4.278,60 21.282,61 4.571,62 0.528,63 1.118,64 17.217,65 6.901,66 62.285,67 7.763,68 0.5,69 1.328,70 22.017,71 8.654,72 56.487,73 9.397,74 0.853,75 1.389,76 26.666,77 9.416,78 91.605,79 9.787,80 0.661,81 1.4,82 31.375,83 9.864,84 84.576,85 10.398,86 0.831,87 1.32,88 27.114,89 8.757,90 110.787,91 9.803,92 0.664,93 1.218,94 22.547,95 8.468,96 78.193,97 10.099,98 0.428,99 1.187,100 22.667,101 8.186,102 49.815,103 10.424,104 42,105 44,106 0.305,107 0.651,108 0.783,109 0.853,110 0.863,111 0.863,112 3.408,113 0.963,114 -2.28,115 -2.32,116 -2.29,119 39.6,124 2,142 8,143 1,144 3,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 7,174 1,175 2,177 1,178 4,180 2,183 6,186 2,187 7,189 1,190 2,192 3,195 3,198 3,199 12,201 1,202 3,203 1,204 3,206 1,212 8,217 3,220 2,222 1,223 3,224 6,227 1,229 4,232 6,234 2,236 3,237 3,240 1,242 2,245 7,247 1,250 3,258 4,262 3,263 4,265 3,266 7,267 2,270 1,271 1,275 1342,276 19.264,277 19.264,278 19.264,279 19.264,280 19.264,281 16.721,282 16.722,283 11.173,284 19.784,285 15.141,286 15.141,287 15.141,288 15.141,289 15.141,290 11.142,291 13.841,292 5.113,293 15.851,294 3.771,295 1.709,296 0.922,297 0.506,298 0.448,299 0.448,300 4.084,304 1,305 1,306 651,307 3.937,311 304.774,318 1.629,319 44.867,322 1,323 0.83,324 1,325 0.6,327 0.83,328 0.5,329 0.68,330 64.5,331 312,332 4.899,333 4.712,334 7.414,335 4.371,336 3.451,337 4.757,338 1.058,339 12.967,340 3.151,341 4.405,342 3.583,343 6.447,344 4.001,345 3.034,346 4.076,347 0.86,348 9.919,349 2.929,350 4.088,351 2.903,352 6.089,353 3.697,354 2.711,355 3.65,357 8.815,358 2.671,359 3.855,360 2.728,361 5.73,362 3.443,363 2.473,364 3.398,366 7.683,367 2.394,368 3.698,369 2.542,370 5.252,371 3.23,372 2.271,373 3.102,375 6.566,376 2.172,377 3.357,378 2.44,379 4.876,380 2.938,381 1.976,382 2.582,384 5.196,385 1.887,386 2.889,387 1.638,388 4.421,389 2.434,390 1.466,391 2.051,393 4.176,394 1.422,395 2.886,396 1.518,397 4.222,398 2.407,399 1.439,400 2.048,402 3.329,403 1.382,404 2.661,405 1.319,406 3.816,407 2.143,408 1.153,409 1.713,411 2.956,412 1.138,413 2.578,414 1.263,415 3.597,416 2.053,417 1.127,418 1.571,420 2.759,421 1.039,422 2.5,423 1.087,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.749,431 1.013,432 3.166,433 1.449,434 0.574,435 0.651,436 0.981,437 0.497,438 1.482,439 1,440 2.92,441 1.212,442 0.256,443 0.293,445 0.369,446 0.241,447 1.252,448 0.344,449 2.71,450 0.85,451 -0.099,452 -0.124,454 -0.194,455 -0.093,456 1.195,457 0.194,458 2.602,459 0.845,460 -0.121,461 -0.151,463 -0.319,464 -0.116,465 13.667,466 0.471,467 0.82,468 0.028,469 42.75,470 1.474,471 24,472 0.828,473 18.75,474 0.647,475 19.819,476 0.683,477 31.333,478 0.653,479 36.642,480 1.264,481 8.671,482 0.299,483 5.181,484 0.179,485 0.176,486 0.061,487 0.293,493 0.707,494 1.33,495 0.804,496 1.206,497 0.73,498 0.893,499 0.794,500 1.028,501 0.822,502 0.887,503 0.606,504 0.816,505 0.966,506 1.128,507 0.93,508 1.091,509 0.959,510 0.959,511 1.132,512 1.073,513 1.212,514 1.136,515 1.194,516 1.031,517 1.373,518 1.134,519 1.364,520 1.233,521 1.416,522 0.998,523 1.38,524 0.887,525 1.103,526 0.924,527 1.536,528 0.971,529 1.059,530 0.918,531 0.862,532 0.874,533 1.004,534 0.997,535 0.794,536 1.228,537 0.847,538 1.181,539 0.739,540 1.166,541 7,542 0.132,543 4.222,544 2.438,545 2.036,546 1.535,547 0.69,548 0.493,549 0.537,550 0.207,551 9557,552 32001,553 1.985,554 39.6,556 14,558 1,559 4,564 1.724,565 1.822,566 3.401,567 1.731,568 1,569 1,573 87.047,574 1.813,575 3.876,576 4.663,577 5.079,578 5.137,579 5.137,580 2.862,581 4.444,582 4.828,583 3.54,584 1437.06,585 8.437,586 19118.8,588 1,590 1,591 268.078,592 1.658,593 4.76,594 0.226,595 0.007,596 0.096,597 0.051,598 0.043,599 0.034,600 0.017,601 0.013,602 0.016,603 0.007,604 0.51,605 0.17,606 0.88,607 1.071,608 145.903,609 -0.024,610 -0.116,611 0.175,612 -0.065,613 -0.181,614 0.04,615 0.136,616 0.07,617 0.086,618 0.119,619 0.182,620 0.107,621 -0.025,622 -0.044,623 0.067,624 -0.037,625 -0.031,626 -0.016,627 0.054,628 -0.005,629 -0.092,630 -0.046,631 0.024,632 -0.109,633 -0.262,634 -0.099,635 -0.185,636 -0.106,637 -0.149,638 -0.031,639 -0.186,640 0.096,641 -0.157,642 0.018,643 -0.189,644 -0.044,645 -0.044,646 0.035,647 -0.023,648 0.029,649 -0.073,650 -0.036,651 -0.01,652 -0.273,653 0.048,654 -0.22,655 -0.078,656 -0.152,657 4.87,658 5.929,659 0.621,660 27.22,661 1.022,662 1.128,663 1.053,664 1.109,665 0.684,666 3.466,667 3.807,668 4.06,669 4.29,670 4.511,671 4.543,672 4.654,673 4.736,674 4.852,675 4.86,676 6.373,677 0.663,678 413.5,679 3.466,680 5.017,681 5.866,682 6.756,683 7.626,684 8.521,685 9.399,686 10.297,687 11.18,688 12.079,689 10.4,693 1,694 1,696 1,699 2,704 9,705 2,709 7,711 18,718 1,722 1,729 1,731 48,733 21,734 2,735 31,737 50,738 19,739 16,740 4,741 8,742 1,746 3,747 3,761 17,762 2,766 3,769 1,771 3,775 1,778 1,781 19,782 9,783 4,784 10,785 1,790 5,794 1,795 4,802 1,812 3,840 3,842 1,844 2,848 29,849 1,852 1,855 2,856 1,870 8.3,873 3,875 1,877 15.917,878 9.067,879 6.486,880 2.453,881 3.248,882 1.447,883 0.986,884 6.132,885 10.515,886 3.784,887 4.425,888 4.965,889 5.523,890 6.07,891 6.303,892 6.718,893 7.069,894 7.462,895 7.749,896 1,897 48,898 10.997,900 4.977,901 8.112,902 19.607,904 15.642,905 2.612,906 75.75,910 176.567,911 135.227,912 100.884,914 80.458,916 5.807,917 129.419,918 257.024,919 100.884,920 19.279,921 18.011,922 114.515,923 135.91,924 38.297,925 2.328,926 164.795,928 176.567,929 230.303,930 80.458,931 5.807,933 176.567,934 80.458,937 32.572,938 147.756,939 55.783,941 176.567,942 181.342,943 135.227,945 5.807,946 176.567,947 25.283,948 104.137,949 34.416,950 146.926,951 176.567,952 181.342,953 135.227,955 0.583,956 0.348,957 0.183,958 0.1,959 20,960 10,961 0.12,962 6,964 1,965 3.848,966 254.635,968 18,969 134.881,973 1,974 20.74,975 8.575,976 4.541,978 181.342,979 14.377,980 8.205,984 1.129,986 67.313,987 493.135,988 43,991 -3.953,993 37.787,997 -0.496,999 49.08,1000 54.156,1001 0.325,1002 0.694,1003 0.835,1004 0.909,1005 0.92,1006 0.92,1007 5.021,1008 1.439,1009 5.894,1010 4.176,1011 4.489,1012 5.112,1013 1.552,1014 6.763,1015 4.398,1016 6.274,1017 1.153,1018 7.502,1019 3.329,1020 4.29,1021 5.19,1023 7.991,1024 4.129,1025 7.631,1026 1.127,1027 9.223,1028 2.956,1029 6.184,1030 7.438,1031 1.527,1032 11.043,1033 5.984,1034 9.032,1035 1,1036 11.014,1037 2.759,1038 6.792,1039 8.317,1041 13.091,1042 6.495,1043 10.468,1044 0.574,1045 12.851,1046 2.136,1047 8.216,1048 10.102,1049 1.53,1050 15.761,1051 7.877,1052 11.929,1053 0.256,1054 14.72,1055 0.981,1056 9.167,1057 11.331,1059 18.119,1060 8.721,1061 13.411,1062 -0.099,1063 16.614,1064 0.369,1065 10.434,1066 12.953,1067 1.557,1068 20.693,1069 9.931,1070 3.451,1071 -0.121,1072 18.526,1073 -0.194,1074 11.534,1075 14.345,1077 23.171,1078 10.922,1079 3.034,1080 12.967,1081 20.454,1082 -0.319,1083 12.754,1084 15.909,1085 1.603,1086 25.724,1087 12.069,1088 2.711,1089 9.919,1090 22.393,1091 4.757,1092 13.918,1093 17.38,1095 28.249,1096 13.129,1097 2.473,1098 8.815,1099 24.343,1100 4.076,1101 15.129,1102 18.926,1103 1.663,1104 30.802,1105 14.254,1106 2.271,1107 7.683,1108 26.301,1109 3.65,1110 16.323,1111 20.436,1113 33.347,1114 15.346,1115 1.976,1116 6.566,1117 28.266,1118 3.398,1119 17.536,1120 21.979,1121 1.734,1122 35.902,1123 16.467,1124 1.466,1125 5.196,1126 30.236,1127 3.102,1128 18.746,1129 23.509,1131 38.456,1132 17.576,1133 9499,1134 17555,1135 19.879,1136 32.824,1137 46.034,1138 48.35,1139 48.587,1140 45.85,1141 45.861,1142 62.782,1143 3.837,1144 135.699,1145 43.843,1146 5.734,1147 6.712,1148 7.216,1149 5.442,1150 5.451,1151 7.757,1152 2.117,1153 20.776,1154 5.151,1155 16.927,1156 1.485,1157 1.56,1158 1.567,1159 1.479,1160 1.479,1161 2.025,1162 0.124,1163 4.377,1164 1.414,1165 4.111,1166 4.1,1167 4.738,1168 4.085,1169 7.717,1170 4.017,1171 3.906,1172 3.939,1173 3.919,1174 3.813,1175 7.429,1176 3.811,1177 3.824,1178 3.846,1179 3.787,1180 3.712,1181 6.999,1182 3.703,1183 3.589,1184 3.583,1185 3.656,1186 3.483,1187 5.183,1188 3.435,1189 3.434,1190 3.504,1191 3.335,1192 3.168,1193 4.841,1194 3.192,1195 3.247,1196 3.315,1197 3.087,1198 2.974,1199 4.76,1200 2.987,1201 3,1202 3.092,1203 2.823,1204 2.801,1205 4.63,1206 2.791,1207 2.913,1208 2.989,1209 2.765,1210 2.735,1211 4.281,1212 2.727,1213 0.158,1214 0.152,1215 0.239,1216 0.141,1217 0.111,1218 4.899,1219 0.153,1220 4.712,1221 0.034,1222 7.414,1223 0.418,1224 4.371,1225 0.102,1226 3.451,1227 4.757,1228 1.058,1229 12.967,1230 3.151,1231 1.994,1232 1.999,1233 2.015,1234 2.08,1235 1.206,1236 2.095,1237 1.879,1238 1.849,1239 1.989,1240 1.989,1241 1.056,1242 1.989,1243 1.727,1244 1.705,1245 1.783,1246 1.895,1247 0.798,1248 1.886,1249 1.432,1250 1.451,1251 1.646,1252 1.673,1253 0.669,1254 1.677,1255 1.339,1256 1.268,1257 1.559,1258 1.574,1259 0.578,1260 1.605,1261 1.192,1262 1.117,1263 1.254,1264 1.496,1265 0.533,1266 1.515,1267 0.977,1268 0.909,1269 1.222,1270 1.246,1271 0.233,1272 1.249,1273 0.886,1274 0.821,1275 1.181,1276 1.159,1277 0.218,1278 1.137,1279 4.143,1281 5.476,1283 7.015,1285 8.642,1287 10.315,1289 2.826,1293 5.714,1296 4.943,1297 5.219,1305 31.841,1306 87.047,1307 186.039,1308 223.814,1309 243.814,1310 246.568,1311 246.568,1312 74.238,1313 7.267,1314 136.3,1315 144.68,1316 18,1317 12.605,1318 4.459,1319 3.7,1320 52.208,1321 110,1322 110,1323 0.233,1324 202.658,1325 349.75,1326 486.246,1327 12962,1329 21.018,1330 0.725,1331 0.57,1332 21.268,1333 16.526,1334 13.852,1335 0.447,1336 0.321,1337 8.429,1338 12.469,1339 8.071,1340 6.768,1341 14.673,1342 9.946,1343 12.644,1344 0.287,1345 0.172,1346 13.926,1347 7.556,1348 10.442,1349 0.183,1350 0.095,1351 11.528,1352 5.42,1353 8.341,1354 0.116,1355 0.053,1356 9.546,1357 3.84,1358 6.715,1359 0.075,1360 0.03,1361 7.808,1362 2.661,1363 0.36,1364 96.104,1365 0.224,1366 27.216,1367 0.659,1368 150,1369 525.071,1370 204.246,1371 524.415,1372 702.59,1373 482,1374 176,1375 482.82,1376 241.098,1377 526.529,1378 764.51,1379 490,1380 5.743}
{0 CHEMBL2152135,1 1.927,2 10.75,3 2.07,4 4.287,5 103.457,6 9.124,7 0.6,8 3.91,9 4.01,10 3.774,11 3.48,12 5.165,13 3.471,14 4.385,15 4.513,16 4.066,17 3.824,18 5.887,19 3.812,20 4.613,21 4.766,22 4.218,23 3.939,24 6.028,25 3.919,26 4.675,27 4.83,28 4.196,29 3.894,30 6.346,31 3.88,32 4.62,33 4.788,34 4.062,35 3.857,36 6.037,37 3.845,38 4.567,39 4.725,40 4.011,41 3.818,42 6.084,43 3.806,44 4.566,45 4.757,46 3.891,47 3.754,48 6.014,49 3.721,50 4.43,51 4.634,52 3.801,53 3.621,54 5.69,55 3.576,56 0.184,57 0.778,58 8.512,59 3.906,60 29.126,61 3.8,62 0.484,63 1.164,64 13.337,65 6.334,66 63.88,67 6.717,68 0.598,69 1.448,70 20.372,71 8.418,72 84.963,73 8.369,74 1.023,75 1.441,76 23.88,77 8.501,78 162.921,79 8.043,80 0.716,81 1.293,82 23.675,83 7.905,84 109.858,85 7.646,86 0.702,87 1.31,88 19.512,89 7.32,90 94.969,91 7.428,92 0.773,93 1.318,94 19.551,95 7.609,96 111.75,97 8.142,98 0.487,99 1.128,100 18.994,101 6.973,102 78.812,103 8.182,104 39,105 43,106 0.329,107 0.655,108 0.779,109 0.856,110 0.867,111 0.867,112 3.375,113 0.952,114 -2.91,115 -2.91,116 -2.81,119 40.9,124 1,142 8,143 1,144 3,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 7,174 1,175 1,177 1,178 4,180 2,183 6,186 2,187 5,189 1,190 2,192 3,195 3,198 1,199 11,201 1,202 2,203 1,204 3,206 1,212 8,217 3,220 2,222 1,223 2,224 4,227 1,229 4,232 6,234 2,236 2,237 1,240 1,242 2,245 7,247 1,250 2,258 4,262 2,263 4,265 2,266 5,267 2,270 1,271 1,275 1174,276 18.394,277 18.394,278 18.394,279 18.394,280 18.394,281 15.799,282 14.262,283 10.65,284 18.794,285 14.703,286 14.703,287 14.703,288 14.703,289 14.703,290 10.715,291 10.773,292 4.958,293 15.347,294 3.532,295 1.62,296 0.898,297 0.443,298 0.381,299 0.381,300 4.049,304 1,305 1,306 630,307 3.808,311 292.343,318 1.679,319 52.002,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 63,331 301,332 4.896,333 4.715,334 7.405,335 4.364,336 3.446,337 4.754,338 1.058,339 12.909,340 3.141,341 4.405,342 3.583,343 6.447,344 4.001,345 3.034,346 4.075,348 9.919,349 2.929,350 4.08,351 2.921,352 6.085,353 3.692,354 2.705,355 3.64,357 8.797,358 2.667,359 3.853,360 2.754,361 5.63,362 3.43,363 2.458,364 3.398,366 7.361,367 2.381,368 3.659,369 2.546,370 5.208,371 3.168,372 2.209,373 3.068,375 6.37,376 2.104,377 3.352,378 2.441,379 4.875,380 2.932,381 1.971,382 2.577,384 5.189,385 1.878,386 2.886,387 1.599,388 4.37,389 2.429,390 1.444,391 2.049,393 4.056,394 1.419,395 2.862,396 1.508,397 4.148,398 2.368,399 1.414,400 2.017,402 3.271,403 1.341,404 2.656,405 1.316,406 3.815,407 2.138,408 1.146,409 1.707,411 2.946,412 1.133,413 2.578,414 1.253,415 3.596,416 2.053,417 1.127,418 1.571,420 2.758,421 1.039,422 2.5,423 1.087,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.49,431 1,432 3.136,433 1.223,434 0.271,435 0.312,436 0.434,437 0.254,438 1.392,439 0.646,440 2.805,441 0.996,442 0.066,443 0.081,445 0.133,446 0.06,447 1.195,448 0.199,449 2.678,450 0.845,451 -0.12,452 -0.151,454 -0.311,455 -0.116,456 1.094,457 0.022,458 2.599,459 0.647,460 -0.277,461 -0.356,463 -0.636,464 -0.251,465 13.119,466 0.469,467 0.858,468 0.031,469 41.5,470 1.482,471 23.5,472 0.839,473 18,474 0.643,475 18.431,476 0.658,477 30.081,478 0.684,479 35.258,480 1.259,481 8.39,482 0.3,483 4.924,484 0.176,485 0.167,486 0.064,487 0.305,491 1,493 0.617,494 1.144,495 0.777,496 1.146,497 0.674,498 0.84,499 0.605,500 1.046,501 0.795,502 0.968,503 0.584,504 0.888,505 0.966,506 1.143,507 0.926,508 1.098,509 0.981,510 0.967,511 1.154,512 1.033,513 1.204,514 1.083,515 1.142,516 0.993,517 1.34,518 0.982,519 1.179,520 1.01,521 1.302,522 0.891,523 1.15,524 1.033,525 1.076,526 1.053,527 1.174,528 1.039,529 1.23,530 1.057,531 0.929,532 0.876,533 1.274,534 1.01,535 0.932,536 1.282,537 0.81,538 1.162,539 0.986,540 1.085,541 7,542 0.115,543 4.222,544 2.438,545 1.836,546 1.472,547 0.69,548 0.493,549 0.513,550 0.136,551 8864,552 31890,553 1.984,554 36.4,556 11,558 1,559 4,564 1.714,565 1.816,566 3.392,567 1.768,568 1,569 1,573 84.792,574 1.927,575 3.839,576 4.561,577 5.016,578 5.079,579 5.079,580 2.856,581 4.039,582 4.778,583 3.538,584 1337.41,585 8.327,586 17361.9,588 1,590 1,591 240.215,592 1.678,593 4.706,594 0.233,595 0.007,596 0.098,597 0.053,598 0.042,599 0.036,600 0.018,601 0.015,602 0.018,603 0.005,604 0.524,605 0.17,606 1,607 0.991,608 139.537,609 -0.029,610 -0.072,611 0.16,612 -0.033,613 -0.15,614 0.063,615 0.157,616 -0.036,617 0.058,618 0.02,619 0.139,620 0.016,621 -0.043,622 -0.11,623 0.072,624 -0.058,625 -0.069,626 -0.025,627 0.061,628 0.071,629 -0.106,630 -0.025,631 0.109,632 -0.084,633 -0.289,634 -0.042,635 -0.125,636 0.019,637 -0.195,638 0.053,639 -0.1,640 -0.026,641 -0.154,642 -0.091,643 -0.083,644 -0.121,645 -0.088,646 0.038,647 -0.05,648 0.036,649 -0.132,650 -0.047,651 -0.013,652 -0.272,653 0.163,654 -0.172,655 -0.096,656 -0.04,657 5.108,658 6.271,659 0.643,660 25.49,661 1.031,662 1.133,663 1.676,664 2.81,665 0.694,666 3.434,667 3.784,668 4.025,669 4.248,670 4.454,671 4.489,672 4.575,673 4.673,674 4.762,675 4.736,676 6.327,677 0.681,678 401.46,679 3.434,680 4.99,681 5.838,682 6.727,683 7.594,684 8.489,685 9.363,686 10.26,687 11.139,688 12.038,689 11.4,693 1,694 1,696 1,699 2,704 9,705 2,709 7,711 18,718 1,722 1,730 1,731 44,733 21,734 2,735 30,737 46,738 18,739 16,740 4,741 8,742 1,746 3,747 3,761 17,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 16,782 9,783 4,784 10,785 1,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,846 1,848 28,849 1,852 1,855 2,869 1,870 6.8,873 3,877 15.417,878 8.043,879 6.153,880 2.28,881 3.281,882 1.455,883 1.003,884 5.589,885 10.486,886 3.761,887 4.413,888 4.943,889 5.499,890 6.037,891 6.269,892 6.669,893 7.03,894 7.398,895 7.667,896 1,897 46,898 10.752,900 5.071,901 8.295,902 18.719,904 15.124,905 2.795,906 78.25,910 141.253,911 128.221,912 100.884,914 69.458,915 14.96,916 5.807,917 122.414,918 210.711,919 115.844,920 8.396,921 18.011,922 114.515,923 135.91,924 31.175,925 17.288,926 129.482,928 141.253,929 223.298,930 84.418,931 5.807,933 156.213,934 69.458,937 32.572,938 140.75,939 55.783,941 156.213,942 170.342,943 128.221,945 5.807,946 141.253,947 29.16,948 93.254,949 34.416,950 150.886,951 141.253,952 185.302,953 128.221,955 0.59,956 0.346,957 0.178,958 0.095,959 20,960 10,961 0.109,962 5,964 1,965 3.788,966 241.893,968 18,969 128.606,973 1,974 19.74,975 7.927,976 4.299,978 185.302,979 12.842,980 8.015,984 -0.964,986 67.313,987 454.777,988 42,991 -4.191,993 37.062,997 -0.549,999 45.382,1000 49.871,1001 0.353,1002 0.703,1003 0.836,1004 0.919,1005 0.93,1006 0.93,1007 5.001,1008 1.414,1009 5.872,1010 4.056,1011 4.466,1012 5.1,1013 1.176,1014 6.739,1015 4.378,1016 6.261,1017 1.146,1018 7.48,1019 3.271,1020 4.29,1021 5.19,1023 7.966,1024 4.12,1025 7.62,1026 1.127,1027 9.203,1028 2.946,1029 6.163,1030 7.43,1031 1.255,1032 11.016,1033 5.964,1034 9.022,1035 1,1036 10.994,1037 2.758,1038 6.781,1039 8.311,1041 13.062,1042 6.476,1043 10.458,1044 0.271,1045 12.831,1046 2.136,1047 8.198,1048 10.095,1049 1.338,1050 15.731,1051 7.856,1052 11.919,1053 0.066,1054 14.701,1055 0.434,1056 9.152,1057 11.325,1059 18.087,1060 8.699,1061 13.401,1062 -0.12,1063 16.594,1064 0.133,1065 10.417,1066 12.947,1067 1.422,1068 20.657,1069 9.908,1070 3.446,1071 -0.277,1072 18.507,1073 -0.311,1074 11.517,1075 14.339,1077 23.132,1078 10.898,1079 3.034,1080 12.909,1081 20.434,1082 -0.636,1083 12.736,1084 15.903,1085 1.51,1086 25.681,1087 12.044,1088 2.705,1089 9.919,1090 22.374,1091 4.754,1092 13.9,1093 17.373,1095 28.202,1096 13.101,1097 2.458,1098 8.797,1099 24.324,1100 4.075,1101 15.11,1102 18.919,1103 1.599,1104 30.75,1105 14.225,1106 2.209,1107 7.361,1108 26.281,1109 3.64,1110 16.303,1111 20.429,1113 33.29,1114 15.315,1115 1.971,1116 6.37,1117 28.246,1118 3.398,1119 17.515,1120 21.972,1121 1.69,1122 35.841,1123 16.434,1124 1.444,1125 5.189,1126 30.217,1127 3.068,1128 18.724,1129 23.501,1131 38.39,1132 17.54,1133 8783,1134 16836,1135 19.186,1136 30.546,1137 44.832,1138 47.404,1139 47.125,1140 44.626,1141 44.582,1142 61.499,1143 2.117,1144 132.556,1145 42.691,1146 5.726,1147 6.715,1148 7.207,1149 5.435,1150 5.446,1151 7.754,1152 2.117,1153 20.668,1154 5.141,1155 16.455,1156 1.494,1157 1.58,1158 1.571,1159 1.488,1160 1.486,1161 2.05,1162 0.071,1163 4.419,1164 1.423,1165 4.111,1166 4.101,1167 4.739,1168 4.085,1169 8.201,1170 4.016,1171 3.906,1172 3.939,1173 3.919,1174 3.812,1175 7.716,1176 3.811,1177 3.824,1178 3.847,1179 3.788,1180 3.712,1181 7.429,1182 3.703,1183 3.585,1184 3.582,1185 3.655,1186 3.481,1187 6.999,1188 3.433,1189 3.424,1190 3.498,1191 3.329,1192 3.16,1193 5.181,1194 3.183,1195 3.065,1196 3.143,1197 2.979,1198 2.877,1199 4.768,1200 2.884,1201 2.918,1202 2.989,1203 2.765,1204 2.735,1205 4.719,1206 2.727,1207 2.868,1208 2.926,1209 2.745,1210 2.735,1211 4.428,1212 2.715,1213 0.163,1214 0.157,1215 0.247,1216 0.145,1217 0.115,1218 4.896,1219 0.158,1220 4.715,1221 0.035,1222 7.405,1223 0.43,1224 4.364,1225 0.105,1226 3.446,1227 4.754,1228 1.058,1229 12.909,1230 3.141,1231 1.993,1232 1.996,1233 2.014,1234 2.079,1235 1.196,1236 2.094,1237 1.878,1238 1.848,1239 1.986,1240 1.989,1241 1.055,1242 1.989,1243 1.726,1244 1.703,1245 1.777,1246 1.89,1247 0.794,1248 1.883,1249 1.432,1250 1.449,1251 1.639,1252 1.672,1253 0.667,1254 1.677,1255 1.333,1256 1.258,1257 1.256,1258 1.556,1259 0.538,1260 1.588,1261 1.011,1262 0.954,1263 1.227,1264 1.274,1265 0.23,1266 1.266,1267 0.886,1268 0.821,1269 1.181,1270 1.161,1271 0.218,1272 1.138,1273 0.856,1274 0.802,1275 1.089,1276 1.062,1277 0.175,1278 1.107,1279 4.111,1281 5.451,1283 6.991,1285 8.618,1287 10.289,1289 1.411,1291 14.271,1293 5.653,1296 4.699,1305 29.983,1306 84.792,1307 168.931,1308 200.705,1309 220.705,1310 223.46,1311 223.46,1312 80.657,1313 7.206,1314 127.07,1315 135.45,1316 18,1317 12.565,1318 4.459,1319 3.7,1320 49.538,1321 107,1322 104,1323 0.231,1324 190.268,1325 329.73,1326 456.013,1327 12211,1328 2.3,1329 20.311,1330 0.725,1331 0.553,1332 19.691,1333 15.495,1334 13.314,1335 0.444,1336 0.317,1337 8.022,1338 11.975,1339 7.728,1340 6.442,1341 13.724,1342 9.523,1343 12.453,1344 0.29,1345 0.171,1346 13.221,1347 7.336,1348 10.12,1349 0.184,1350 0.094,1351 10.791,1352 5.182,1353 8.073,1354 0.117,1355 0.052,1356 8.621,1357 3.571,1358 6.316,1359 0.074,1360 0.029,1361 7.082,1362 2.426,1363 0.358,1364 92.626,1365 0.228,1366 26.494,1367 0.647,1368 146,1369 563.446,1370 201.198,1371 540.231,1372 713.61,1373 494,1374 171,1375 485.608,1376 237.017,1377 522.578,1378 760.52,1379 488,1380 6.021}
{0 CHEMBL2152136,1 1.861,2 10.75,3 0.507,4 0.257,5 106.098,6 8.877,7 0.6,8 3.935,9 4.05,10 3.775,11 3.469,12 5.182,13 3.464,14 4.397,15 4.538,16 4.061,17 3.816,18 5.872,19 3.802,20 4.608,21 4.765,22 4.201,23 3.938,24 5.983,25 3.914,26 4.693,27 4.86,28 4.186,29 3.916,30 6.249,31 3.884,32 4.678,33 4.863,34 4.062,35 3.87,36 6.058,37 3.851,38 4.569,39 4.733,40 3.992,41 3.821,42 6.017,43 3.801,44 4.599,45 4.806,46 3.881,47 3.777,48 5.973,49 3.728,50 4.496,51 4.728,52 3.786,53 3.663,54 5.632,55 3.596,56 0.187,57 0.768,58 9.512,59 3.637,60 27.901,61 3.827,62 0.479,63 1.115,64 14.568,65 6.038,66 62.032,67 6.893,68 0.512,69 1.32,70 20.174,71 7.365,72 63.509,73 8.29,74 0.825,75 1.328,76 25.441,77 8.185,78 113.949,79 8.604,80 0.73,81 1.246,82 26.326,83 7.727,84 105.049,85 8.24,86 0.603,87 1.181,88 19.949,89 6.841,90 79.978,91 7.665,92 0.698,93 1.168,94 20.237,95 6.806,96 91.721,97 8.371,98 0.426,99 1.048,100 21.168,101 6.557,102 59.157,103 8.88,104 39,105 43,106 0.316,107 0.652,108 0.771,109 0.837,110 0.863,111 0.863,112 3.375,113 0.948,114 -1.89,115 -1.95,116 -1.95,119 37.8,124 1,142 6,143 1,144 2,145 2,146 2,147 2,158 1,163 2,164 2,165 2,172 5,174 1,175 2,177 2,178 5,180 2,183 4,186 2,187 5,189 1,190 2,192 4,195 2,197 1,198 4,199 7,201 3,202 5,203 2,204 3,206 2,209 1,211 1,212 5,217 2,220 2,222 1,223 2,224 5,226 1,227 2,229 4,232 4,234 3,236 3,237 2,239 2,240 4,242 2,245 3,247 2,250 3,255 1,258 1,260 1,262 2,263 4,265 3,266 6,267 4,270 4,274 1,275 1174,276 18.394,277 18.394,278 18.394,279 18.394,280 18.394,281 15.799,282 15.103,283 10.65,284 18.822,285 14.703,286 14.703,287 14.703,288 14.703,289 14.703,290 10.715,291 11.294,292 4.958,293 15.367,294 3.631,295 1.656,296 0.956,297 0.567,298 0.417,299 0.417,300 4.049,304 1,305 1,306 630,307 3.808,311 292.343,318 1.679,319 45.631,322 0.75,323 0.67,324 0.83,325 0.5,327 0.67,328 0.5,329 0.56,330 62.5,331 301,332 4.896,333 4.707,334 7.405,335 4.365,336 3.446,337 4.754,338 1.058,339 12.909,340 3.143,341 4.405,342 3.583,343 6.447,344 4.001,345 3.034,346 4.075,348 9.919,349 2.928,350 4.08,351 2.876,352 6.085,353 3.689,354 2.705,355 3.64,357 8.797,358 2.658,359 3.853,360 2.624,361 5.63,362 3.431,363 2.458,364 3.398,366 7.361,367 2.386,368 3.659,369 2.487,370 5.208,371 3.17,372 2.209,373 3.068,375 6.37,376 2.118,377 3.352,378 2.275,379 4.875,380 2.933,381 1.971,382 2.577,384 5.189,385 1.883,386 2.886,387 1.551,388 4.37,389 2.426,390 1.444,391 2.049,393 4.056,394 1.416,395 2.862,396 1.464,397 4.148,398 2.373,399 1.414,400 2.017,402 3.271,403 1.353,404 2.656,405 1.313,406 3.815,407 2.101,408 1.146,409 1.707,411 2.946,412 1.089,413 2.578,414 1.242,415 3.596,416 2.053,417 1.127,418 1.571,420 2.758,421 1.039,422 2.5,423 1.087,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.49,431 1,432 3.136,433 1.223,434 0.271,435 0.312,436 0.434,437 0.255,438 1.392,439 0.47,440 2.805,441 1.007,442 0.066,443 0.081,445 0.133,446 0.062,447 1.195,448 0.196,449 2.678,450 0.845,451 -0.12,452 -0.151,454 -0.311,455 -0.116,456 1.094,457 -0.048,458 2.599,459 0.666,460 -0.277,461 -0.356,463 -0.636,464 -0.259,465 13.133,466 0.469,467 0.858,468 0.031,469 42.5,470 1.518,471 24,472 0.857,473 18.5,474 0.661,475 17.976,476 0.642,477 30.067,478 0.668,479 35.713,480 1.275,481 8.489,482 0.303,483 4.825,484 0.172,485 0.175,486 0.063,487 0.305,493 0.747,494 1.333,495 0.816,496 1.149,497 0.796,498 0.828,499 0.611,500 1.103,501 0.795,502 0.95,503 0.575,504 0.861,505 0.975,506 1.235,507 0.947,508 1.138,509 0.968,510 0.992,511 1.116,512 0.983,513 1.28,514 1.162,515 1.154,516 1.039,517 1.558,518 0.975,519 1.176,520 0.964,521 1.534,522 0.86,523 1.205,524 1.152,525 1.078,526 1.108,527 1.241,528 1.078,529 1.004,530 0.864,531 0.912,532 0.833,533 1.064,534 1.021,535 0.711,536 1.182,537 0.768,538 1.087,539 0.703,540 1.035,541 7,542 0.115,543 4.222,544 2.438,545 1.836,546 1.472,547 0.69,548 0.493,549 0.513,550 0.136,551 8864,552 30534,553 1.984,554 37.8,556 9,558 2,559 6,564 1.714,565 1.816,566 3.392,567 3.462,569 1,573 83.753,574 1.861,575 3.836,576 4.536,577 4.925,578 5.075,579 5.075,580 2.856,581 4.039,582 4.778,583 3.538,584 1337.41,585 8.327,586 17361.9,588 1,591 247.133,592 1.678,593 4.706,594 0.233,595 0.007,596 0.098,597 0.053,598 0.042,599 0.036,600 0.018,601 0.015,602 0.018,603 0.005,604 0.524,605 0.17,606 0.88,607 0.991,608 139.537,609 -0.081,610 -0.09,611 0.158,612 -0.01,613 -0.222,614 0.085,615 0.229,616 0.024,617 0.085,618 0.062,619 0.198,620 0.057,621 -0.044,622 -0.154,623 0.049,624 -0.083,625 -0.055,626 -0.052,627 0.062,628 0.084,629 -0.141,630 -0.077,631 0.072,632 -0.125,633 -0.341,634 0.006,635 -0.102,636 0.067,637 -0.23,638 0.088,639 -0.134,640 -0.129,641 -0.16,642 -0.137,643 -0.103,644 -0.155,645 -0.017,646 0.111,647 -0.065,648 0.03,649 -0.093,650 -0.082,651 0.034,652 -0.252,653 0.19,654 -0.125,655 -0.037,656 0.011,657 4.92,658 5.73,659 0.643,660 25.49,661 1.026,662 1.136,663 0.664,664 0.441,665 0.686,666 3.434,667 3.784,668 4.025,669 4.248,670 4.454,671 4.489,672 4.575,673 4.673,674 4.762,675 4.736,676 6.327,677 0.669,678 399.48,679 3.434,680 4.99,681 5.838,682 6.727,683 7.594,684 8.489,685 9.363,686 10.26,687 11.139,688 12.038,689 15.6,693 2,694 1,696 1,699 3,704 8,705 3,709 7,711 18,718 1,722 2,731 45,733 21,734 1,735 30,737 47,738 17,739 15,740 1,741 5,742 1,746 3,747 3,761 16,762 1,766 3,769 1,771 3,775 1,778 1,781 17,782 10,783 6,784 11,785 1,790 7,794 1,795 3,802 1,805 1,812 3,840 3,842 1,844 1,848 28,849 2,852 1,855 2,870 6.7,873 3,877 15.417,878 8.1,879 6.153,880 2.25,881 3.281,882 1.455,883 1.004,884 5.561,885 10.486,886 3.761,887 4.413,888 4.943,889 5.499,890 6.037,891 6.269,892 6.669,893 7.03,894 7.398,895 7.667,896 1,897 46,898 10.623,900 4.887,901 8.188,902 18.736,904 15.045,905 2.688,906 75.25,910 129.482,911 111.523,912 150.567,914 69.458,916 5.807,917 105.716,918 198.94,919 150.567,920 8.396,921 18.011,922 128.459,923 164.466,924 31.101,925 4.656,926 105.94,928 129.482,929 256.282,930 69.458,931 5.807,933 129.482,934 69.458,937 41.619,938 147.902,939 72.569,941 129.482,942 220.025,943 111.523,945 5.807,946 129.482,947 22.367,948 83.349,949 34.416,950 185.609,951 129.482,952 220.025,953 111.523,955 0.59,956 0.346,957 0.178,958 0.095,959 20,960 10,961 0.106,962 5,964 1,965 3.788,966 241.893,968 18,969 128.606,973 1,974 19.703,975 7.903,976 4.283,978 220.025,979 12.318,980 12.031,984 0.364,986 100.21,987 461.03,988 42,991 -4.003,993 37.327,997 -0.52,999 46.189,1000 51.112,1001 0.339,1002 0.698,1003 0.826,1004 0.897,1005 0.924,1006 0.924,1007 5.001,1008 1.414,1009 5.872,1010 4.056,1011 4.466,1012 5.1,1013 1.176,1014 6.739,1015 4.376,1016 6.261,1017 1.146,1018 7.48,1019 3.271,1020 4.29,1021 5.19,1023 7.966,1024 4.13,1025 7.62,1026 1.127,1027 9.203,1028 2.946,1029 6.163,1030 7.43,1031 1.255,1032 11.016,1033 5.96,1034 9.022,1035 1,1036 10.994,1037 2.758,1038 6.781,1039 8.311,1041 13.062,1042 6.484,1043 10.458,1044 0.271,1045 12.831,1046 2.136,1047 8.198,1048 10.095,1049 1.338,1050 15.731,1051 7.853,1052 11.919,1053 0.066,1054 14.701,1055 0.434,1056 9.152,1057 11.325,1059 18.087,1060 8.704,1061 13.401,1062 -0.12,1063 16.594,1064 0.133,1065 10.417,1066 12.947,1067 1.422,1068 20.657,1069 9.906,1070 3.446,1071 -0.277,1072 18.507,1073 -0.311,1074 11.517,1075 14.339,1077 23.132,1078 10.901,1079 3.034,1080 12.909,1081 20.434,1082 -0.636,1083 12.736,1084 15.903,1085 1.51,1086 25.681,1087 12.043,1088 2.705,1089 9.919,1090 22.374,1091 4.754,1092 13.9,1093 17.373,1095 28.202,1096 13.104,1097 2.458,1098 8.797,1099 24.324,1100 4.075,1101 15.11,1102 18.919,1103 1.599,1104 30.75,1105 14.226,1106 2.209,1107 7.361,1108 26.281,1109 3.64,1110 16.303,1111 20.429,1113 33.29,1114 15.318,1115 1.971,1116 6.37,1117 28.246,1118 3.398,1119 17.515,1120 21.972,1121 1.69,1122 35.841,1123 16.437,1124 1.444,1125 5.189,1126 30.217,1127 3.068,1128 18.724,1129 23.501,1131 38.39,1132 17.544,1133 8783,1134 16476,1135 19.186,1136 30.858,1137 44.832,1138 46.986,1139 47.125,1140 44.585,1141 44.582,1142 61.499,1143 2.117,1144 132.556,1145 42.661,1146 5.726,1147 6.707,1148 7.207,1149 5.437,1150 5.446,1151 7.754,1152 2.117,1153 20.668,1154 5.143,1155 16.455,1156 1.494,1157 1.566,1158 1.571,1159 1.486,1160 1.486,1161 2.05,1162 0.071,1163 4.419,1164 1.422,1165 4.102,1166 4.098,1167 4.738,1168 4.065,1169 7.717,1170 3.993,1171 3.904,1172 3.938,1173 3.914,1174 3.803,1175 7.429,1176 3.805,1177 3.821,1178 3.846,1179 3.787,1180 3.712,1181 6.999,1182 3.7,1183 3.567,1184 3.576,1185 3.632,1186 3.426,1187 5.198,1188 3.396,1189 3.419,1190 3.494,1191 3.325,1192 3.144,1193 5.131,1194 3.168,1195 3.104,1196 3.203,1197 2.989,1198 2.87,1199 4.764,1200 2.883,1201 2.923,1202 2.989,1203 2.762,1204 2.735,1205 4.696,1206 2.715,1207 2.859,1208 2.972,1209 2.748,1210 2.717,1211 4.433,1212 2.708,1213 0.163,1214 0.157,1215 0.247,1216 0.145,1217 0.115,1218 4.896,1219 0.158,1220 4.707,1221 0.035,1222 7.405,1223 0.43,1224 4.365,1225 0.105,1226 3.446,1227 4.754,1228 1.058,1229 12.909,1230 3.143,1231 1.97,1232 1.97,1233 2.009,1234 2.077,1235 1.149,1236 2.088,1237 1.872,1238 1.84,1239 1.951,1240 1.989,1241 1.039,1242 1.987,1243 1.72,1244 1.701,1245 1.761,1246 1.892,1247 0.794,1248 1.882,1249 1.415,1250 1.412,1251 1.634,1252 1.673,1253 0.667,1254 1.676,1255 1.311,1256 1.24,1257 1.294,1258 1.549,1259 0.47,1260 1.571,1261 1.028,1262 0.953,1263 1.219,1264 1.346,1265 0.218,1266 1.337,1267 0.886,1268 0.821,1269 1.181,1270 1.174,1271 0.198,1272 1.165,1273 0.836,1274 0.783,1275 1.128,1276 1.138,1277 0.089,1278 1.128,1279 4.111,1281 5.451,1283 6.991,1285 8.618,1287 10.289,1289 1.431,1293 11.458,1296 4.844,1305 30.115,1306 83.753,1307 172.604,1308 204.114,1309 221.624,1310 228.379,1311 228.379,1312 71.635,1313 7.206,1314 165.98,1315 174.36,1316 18,1317 12.565,1318 4.459,1319 3.7,1320 49.538,1321 107,1322 104,1323 0.231,1324 193.066,1325 328.36,1326 462.841,1327 12211,1329 20.311,1330 0.725,1331 0.556,1332 20.561,1333 15.565,1334 13.314,1335 0.444,1336 0.316,1337 7.981,1338 11.982,1339 7.679,1340 6.421,1341 14.135,1342 9.482,1343 12.453,1344 0.29,1345 0.17,1346 13.735,1347 7.298,1348 10.12,1349 0.184,1350 0.094,1351 11.23,1352 5.146,1353 8.073,1354 0.117,1355 0.051,1356 9.285,1357 3.516,1358 6.316,1359 0.074,1360 0.027,1361 7.259,1362 2.337,1363 0.358,1364 92.503,1365 0.228,1366 26.494,1367 0.647,1368 146,1369 506.293,1370 200.17,1371 513.821,1372 688.61,1373 470,1374 171,1375 477.585,1376 235.941,1377 521.081,1378 756.38,1379 486,1380 6.699}
{0 CHEMBL2152137,1 1.802,2 10.852,3 1.865,4 3.478,5 103.241,6 8.715,7 0.621,8 3.9,9 4.004,10 3.739,11 3.482,12 5.106,13 3.459,14 4.372,15 4.506,16 4.013,17 3.827,18 5.819,19 3.795,20 4.592,21 4.754,22 4.107,23 3.944,24 5.939,25 3.893,26 4.642,27 4.81,28 4.053,29 3.886,30 6.079,31 3.843,32 4.606,33 4.788,34 3.926,35 3.831,36 5.954,37 3.797,38 4.506,39 4.688,40 3.82,41 3.802,42 5.782,43 3.742,44 4.51,45 4.716,46 3.75,47 3.756,48 5.761,49 3.67,50 4.424,51 4.64,52 3.641,53 3.635,54 5.69,55 3.535,56 0.142,57 0.711,58 9.507,59 3.879,60 20.7,61 4.088,62 0.413,63 1.058,64 14.474,65 6.286,66 54.144,67 7.144,68 0.43,69 1.265,70 21.087,71 8.3,72 50.808,73 9.138,74 0.599,75 1.263,76 25.047,77 8.427,78 80.945,79 8.752,80 0.588,81 1.184,82 22.881,83 7.522,84 85.67,85 7.983,86 0.425,87 1.111,88 18.825,89 6.92,90 55.482,91 8.003,92 0.447,93 1.071,94 20.638,95 7.514,96 60.201,97 9.332,98 0.446,99 0.965,100 18.257,101 7.102,102 54.588,103 9.044,104 28,105 41,106 0.308,107 0.62,108 0.749,109 0.844,110 0.867,111 0.867,112 3.34,113 0.974,114 -2.79,115 -2.8,116 -2.72,119 40.9,124 1,142 9,143 1,144 2,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 8,174 1,175 1,177 1,178 4,180 2,183 8,186 2,187 7,189 1,190 2,192 4,195 4,198 1,199 11,201 1,202 2,203 1,204 3,206 1,212 9,215 1,217 3,220 4,222 1,224 5,227 1,229 4,232 8,234 2,236 2,237 1,242 2,245 8,247 1,249 2,250 3,253 1,254 2,255 2,257 1,258 4,260 1,263 4,271 1,275 1073,276 17.894,277 17.894,278 17.894,279 17.894,280 17.894,281 15.351,282 13.557,283 10.459,284 18.252,285 14.232,286 14.232,287 14.232,288 14.232,289 14.232,290 10.323,291 10.451,292 4.862,293 14.776,294 3.657,295 1.83,296 1.075,297 0.517,298 0.381,299 0.381,300 4.017,303 1,304 1,305 1,306 615,307 3.742,311 280.947,318 1.657,319 39.448,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 59.5,331 293,332 4.855,333 4.685,334 7.308,335 4.31,336 3.391,337 4.704,338 1.058,339 12.507,340 3.093,341 4.416,342 3.583,343 6.449,344 4.014,345 3.046,346 4.094,348 9.931,349 2.945,350 4.113,351 2.919,352 6.098,353 3.734,354 2.746,355 3.683,357 8.859,358 2.708,359 3.657,360 2.588,361 5.363,362 3.256,363 2.283,364 3.091,366 6.826,367 2.217,368 3.519,369 2.334,370 4.879,371 2.993,372 2.003,373 2.954,375 5.251,376 1.984,377 3.335,378 1.98,379 4.799,380 2.911,381 1.941,382 2.557,384 5.128,385 1.867,386 2.879,387 1.514,388 4.287,389 2.406,390 1.434,391 2.039,393 3.908,394 1.391,395 2.691,396 1.32,397 3.815,398 2.17,399 1.178,400 1.757,402 2.77,403 1.165,404 2.588,405 1.266,406 3.63,407 2.091,408 1.128,409 1.63,411 2.739,412 1.089,413 2.578,414 1.109,415 3.478,416 2.053,417 1.099,418 1.571,420 2.526,421 1.039,422 2.5,423 1.087,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 1.484,431 1,432 3.069,433 1.216,434 0.259,435 0.297,436 0.379,437 0.244,438 1.275,439 0.229,440 2.71,441 0.861,442 -0.104,443 -0.135,445 -0.223,446 -0.1,447 1.191,448 0.179,449 2.575,450 0.837,451 -0.126,452 -0.156,454 -0.354,455 -0.12,456 1,457 -0.115,458 2.525,459 0.27,460 -0.717,461 -0.965,463 -1.635,464 -0.678,465 12.833,466 0.475,467 0.769,468 0.028,469 40.75,470 1.509,471 23.5,472 0.87,473 17.25,474 0.639,475 16.923,476 0.627,477 28.567,478 0.649,479 32.845,480 1.216,481 8.171,482 0.303,483 4.732,484 0.175,485 0.148,486 0.065,487 0.273,493 0.646,494 1.266,495 0.808,496 1.149,497 0.722,498 0.85,499 0.583,500 1.091,501 0.83,502 0.966,503 0.569,504 0.906,505 0.94,506 1.101,507 1.013,508 1.091,509 0.914,510 0.991,511 1.334,512 1.091,513 1.27,514 1.15,515 1.296,516 1.021,517 1.557,518 0.916,519 1.115,520 0.867,521 1.495,522 0.893,523 1.13,524 0.974,525 1.034,526 0.985,527 1.077,528 1.063,529 0.831,530 1.009,531 0.918,532 1.005,533 0.866,534 1.058,535 0.645,536 0.936,537 0.794,538 0.957,539 0.776,540 1.081,541 6.5,542 0.149,543 3.778,544 2.125,545 1.484,546 1.083,547 0.569,548 0.455,549 0.267,550 0.227,551 8387,552 27987,553 2.005,554 38.6,556 12,558 1,559 4,564 1.701,565 1.851,566 3.42,567 1.771,568 1,569 1,573 79.305,574 1.802,575 3.63,576 4.385,577 4.942,578 5.079,579 5.079,580 2.876,581 4.385,582 4.728,583 3.562,584 1250.33,585 8.21,586 16041.8,588 1,590 1,591 240.215,592 1.623,593 4.663,594 0.224,595 0.007,596 0.092,597 0.049,598 0.037,599 0.029,600 0.017,601 0.015,602 0.01,603 0.011,604 0.493,605 0.17,606 1,607 0.979,608 133.828,609 -0.008,610 -0.073,611 0.18,612 -0.034,613 -0.184,614 0.061,615 0.254,616 0.011,617 0.053,618 0.023,619 0.2,620 0.002,621 -0.008,622 -0.051,623 0.001,624 -0.052,625 -0.002,626 -0.043,627 -0.134,628 -0.056,629 -0.161,630 -0.097,631 -0.054,632 -0.093,633 -0.334,634 0.08,635 -0.154,636 0.073,637 -0.23,638 0.024,639 -0.2,640 0.032,641 -0.164,642 -0.059,643 -0.155,644 -0.121,645 0.025,646 -0.071,647 0.001,648 -0.049,649 -0.011,650 -0.048,651 0.208,652 -0.024,653 0.094,654 -0.032,655 0.066,656 -0.062,657 4.631,658 5.468,659 0.667,660 23.731,661 1.02,662 1.126,663 1.56,664 2.432,665 0.696,666 3.401,667 3.738,668 3.97,669 4.174,670 4.369,671 4.369,672 4.477,673 4.522,674 4.564,675 4.644,676 6.419,677 0.673,678 383.47,679 3.401,680 4.949,681 5.79,682 6.671,683 7.53,684 8.414,685 9.279,686 10.164,687 11.031,688 11.916,689 11.4,693 1,694 1,696 1,699 2,704 10,705 2,709 6,711 18,718 1,722 1,731 44,733 21,734 2,735 29,737 46,738 18,739 16,740 3,741 9,742 1,746 3,747 3,761 17,762 1,766 3,769 1,771 3,775 1,777 1,778 1,781 17,782 8,783 4,784 9,785 1,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,848 27,849 1,852 1,855 2,870 6.8,873 3,877 14.583,878 7.983,879 5.958,880 2.293,881 3.316,882 1.464,883 1.003,884 5.4,885 10.457,886 3.738,887 4.376,888 4.9,889 5.439,890 5.969,891 6.153,892 6.564,893 6.846,894 7.161,895 7.528,896 1,897 43,898 10.19,900 4.599,901 8.114,902 18.298,904 14.75,905 2.614,906 70.583,910 153.024,911 128.577,912 100.884,914 69.458,916 5.807,917 122.769,918 222.482,919 100.884,920 8.396,921 18.011,922 123.991,923 135.91,924 22.054,925 2.328,926 141.253,928 153.024,929 223.653,930 69.458,931 5.807,933 153.024,934 69.458,937 32.572,938 141.105,939 55.783,941 153.024,942 170.342,943 128.577,945 5.807,946 153.024,947 20.039,948 102.73,949 34.416,950 135.926,951 153.024,952 170.342,953 128.577,955 0.585,956 0.343,957 0.176,958 0.094,959 19,960 9,961 0.109,962 5,964 1,965 3.771,966 226.343,968 18,969 122.382,973 1,974 18.832,975 7.742,976 4.246,978 170.342,979 16.105,980 8.224,984 1.509,986 67.313,987 451.943,988 41,991 -3.715,993 36.78,997 -0.456,999 44.869,1000 49.531,1001 0.33,1002 0.665,1003 0.803,1004 0.905,1005 0.93,1006 0.93,1007 4.966,1008 1.178,1009 5.814,1010 3.908,1011 4.419,1012 5.063,1013 1.176,1014 6.666,1015 4.342,1016 6.218,1017 1.128,1018 7.412,1019 2.77,1020 4.205,1021 5.112,1023 7.881,1024 4.049,1025 7.571,1026 1.099,1027 9.125,1028 2.739,1029 6.103,1030 7.381,1031 1.255,1032 10.907,1033 5.919,1034 8.967,1035 1,1036 10.91,1037 2.526,1038 6.698,1039 8.238,1041 12.943,1042 6.411,1043 10.399,1044 0.259,1045 12.742,1046 2.136,1047 8.127,1048 10.038,1049 1.338,1050 15.577,1051 7.805,1052 11.857,1053 -0.104,1054 14.606,1055 0.379,1056 9.066,1057 11.252,1059 17.909,1060 8.636,1061 13.335,1062 -0.126,1063 16.494,1064 -0.223,1065 10.331,1066 12.879,1067 1.422,1068 20.442,1069 9.85,1070 3.391,1071 -0.717,1072 18.399,1073 -0.354,1074 11.416,1075 14.259,1077 22.885,1078 10.83,1079 3.046,1080 12.507,1081 20.319,1082 -1.635,1083 12.627,1084 15.82,1085 1.51,1086 25.396,1087 11.974,1088 2.746,1089 9.931,1090 22.249,1091 4.704,1092 13.775,1093 17.279,1095 27.883,1096 13.022,1097 2.283,1098 8.859,1099 24.188,1100 4.094,1101 14.971,1102 18.818,1103 1.599,1104 30.394,1105 14.139,1106 2.003,1107 6.826,1108 26.134,1109 3.683,1110 16.148,1111 20.315,1113 32.9,1114 15.217,1115 1.941,1116 5.251,1117 28.086,1118 3.091,1119 17.344,1120 21.849,1121 1.69,1122 35.416,1123 16.326,1124 1.434,1125 5.128,1126 30.044,1127 2.954,1128 18.534,1129 23.366,1131 37.931,1132 17.42,1133 8272,1134 15268,1135 18.781,1136 30.608,1137 43.296,1138 45.016,1139 44.983,1140 43.054,1141 43.014,1142 59.752,1143 2.117,1144 125.922,1145 41.484,1146 5.682,1147 6.685,1148 7.11,1149 5.379,1150 5.391,1151 7.704,1152 2.117,1153 19.85,1154 5.093,1155 14.872,1156 1.493,1157 1.552,1158 1.551,1159 1.485,1160 1.483,1161 2.06,1162 0.073,1163 4.342,1164 1.43,1165 4.096,1166 4.089,1167 4.736,1168 4.075,1169 7.717,1170 3.997,1171 3.951,1172 3.971,1173 3.944,1174 3.872,1175 7.429,1176 3.866,1177 3.772,1178 3.813,1179 3.721,1180 3.629,1181 6.999,1182 3.648,1183 3.585,1184 3.574,1185 3.658,1186 3.507,1187 5.183,1188 3.434,1189 3.433,1190 3.51,1191 3.33,1192 3.171,1193 4.792,1194 3.195,1195 3.062,1196 3.143,1197 2.948,1198 2.889,1199 4.712,1200 2.888,1201 2.917,1202 2.989,1203 2.75,1204 2.735,1205 4.546,1206 2.725,1207 2.865,1208 2.926,1209 2.741,1210 2.735,1211 4.188,1212 2.715,1213 0.167,1214 0.162,1215 0.252,1216 0.149,1217 0.117,1218 4.855,1219 0.162,1220 4.685,1221 0.036,1222 7.308,1223 0.431,1224 4.31,1225 0.107,1226 3.391,1227 4.704,1228 1.058,1229 12.507,1230 3.093,1231 1.985,1232 1.985,1233 2.029,1234 2.074,1235 1.182,1236 2.092,1237 1.909,1238 1.889,1239 1.99,1240 2.001,1241 1.095,1242 2.01,1243 1.703,1244 1.665,1245 1.791,1246 1.879,1247 0.774,1248 1.866,1249 1.426,1250 1.453,1251 1.645,1252 1.667,1253 0.65,1254 1.669,1255 1.349,1256 1.271,1257 1.268,1258 1.563,1259 0.566,1260 1.605,1261 1.029,1262 0.969,1263 1.234,1264 1.278,1265 0.268,1266 1.278,1267 0.886,1268 0.821,1269 1.181,1270 1.161,1271 0.218,1272 1.139,1273 0.861,1274 0.805,1275 1.08,1276 1.062,1277 0.181,1278 1.107,1279 4.078,1281 5.407,1283 6.938,1285 8.553,1287 10.209,1289 1.467,1293 5.695,1296 4.973,1305 29.599,1306 79.305,1307 159.711,1308 192.931,1309 217.46,1310 223.46,1311 223.46,1312 63.181,1313 7.141,1314 127.07,1315 135.45,1316 18,1317 12.452,1318 4.459,1319 3.7,1320 46.973,1321 105,1322 96,1323 0.221,1324 189.07,1325 323.66,1326 453.09,1327 11628,1329 19.441,1330 0.72,1331 0.563,1332 19.691,1333 15.195,1334 12.903,1335 0.445,1336 0.325,1337 7.941,1338 11.656,1339 7.627,1340 6.383,1341 13.724,1342 9.417,1343 11.92,1344 0.291,1345 0.177,1346 13.221,1347 7.25,1348 9.689,1349 0.186,1350 0.098,1351 10.793,1352 5.104,1353 7.656,1354 0.12,1355 0.054,1356 8.697,1357 3.449,1358 6.018,1359 0.077,1360 0.03,1361 6.872,1362 2.31,1363 0.347,1364 89.296,1365 0.231,1366 25.856,1367 0.609,1368 140,1369 469.335,1370 191.367,1371 478.194,1372 641.6,1373 438,1374 163,1375 441.275,1376 222.883,1377 485.014,1378 702.95,1379 453,1380 5.439}
{0 CHEMBL2152138,1 1.927,2 10.964,3 2.529,4 6.397,5 108.045,6 9.498,7 0.6,8 3.907,9 4.003,10 3.805,11 3.508,12 5.127,13 3.485,14 4.381,15 4.505,16 4.111,17 3.864,18 5.85,19 3.831,20 4.605,21 4.752,22 4.204,23 3.989,24 5.981,25 3.935,26 4.651,27 4.808,28 4.224,29 3.938,30 6.093,31 3.886,32 4.621,33 4.786,34 4.126,35 3.866,36 6.084,37 3.842,38 4.513,39 4.687,40 3.885,41 3.828,42 5.803,43 3.767,44 4.517,45 4.715,46 3.877,47 3.795,48 5.794,49 3.712,50 4.439,51 4.638,52 3.792,53 3.696,54 5.742,55 3.595,56 0.166,57 0.701,58 7.864,59 3.827,60 23.546,61 3.725,62 0.452,63 1.041,64 12.803,65 6.264,66 57.144,67 6.734,68 0.528,69 1.243,70 21.543,71 8.515,72 60.433,73 8.73,74 0.692,75 1.244,76 27.253,77 8.867,78 93.953,79 8.352,80 0.792,81 1.165,82 24.5,83 7.874,84 105.835,85 7.58,86 0.505,87 1.102,88 18.222,89 7.078,90 63.068,91 7.581,92 0.518,93 1.06,94 20.096,95 7.749,96 66.833,97 9.118,98 0.532,99 0.946,100 19.901,101 7.43,102 62.516,103 8.906,104 39,105 43,106 0.329,107 0.655,108 0.797,109 0.89,110 0.898,111 0.898,112 3.375,113 0.989,114 -3.02,115 -3.02,116 -2.91,119 40.9,124 1,142 8,143 1,144 3,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 6,174 1,175 1,177 1,178 4,180 2,183 9,186 2,187 7,189 1,190 2,192 4,195 4,198 1,199 9,201 1,202 2,203 1,204 2,206 1,207 1,212 11,215 1,217 4,220 4,222 1,224 5,227 1,229 4,232 6,234 2,236 2,237 1,242 2,245 8,247 1,249 2,250 3,253 1,254 2,255 2,257 1,258 5,260 1,263 3,271 2,275 1158,276 18.342,277 18.342,278 18.342,279 18.342,280 18.342,281 15.774,282 15.159,283 10.584,284 18.836,285 14.715,286 14.715,287 14.715,288 14.715,289 14.715,290 10.734,291 11.558,292 4.923,293 15.524,294 3.532,295 1.62,296 0.79,297 0.244,298 0.199,299 0.199,300 4.05,301 1,304 1,305 1,306 642,307 3.808,311 292.64,318 1.686,319 43.313,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 307,332 4.859,333 4.687,334 7.311,335 4.316,336 3.397,337 4.711,338 1.058,339 12.527,340 3.096,341 4.416,342 3.583,343 6.449,344 4.014,345 3.046,346 4.094,348 9.932,349 2.945,350 4.115,351 2.925,352 6.098,353 3.735,354 2.747,355 3.685,357 8.859,358 2.708,359 3.841,360 2.885,361 5.402,362 3.348,363 2.418,364 3.392,366 6.958,367 2.247,368 3.615,369 2.583,370 5.122,371 3.173,372 2.219,373 2.992,375 6.29,376 2.078,377 3.338,378 2.322,379 4.872,380 2.924,381 1.963,382 2.559,384 5.18,385 1.872,386 3.003,387 1.729,388 4.554,389 2.492,390 1.55,391 2.191,393 4.347,394 1.42,395 2.865,396 1.469,397 4.269,398 2.366,399 1.398,400 2.017,402 3.847,403 1.318,404 2.612,405 1.317,406 3.815,407 2.107,408 1.129,409 1.657,411 2.763,412 1.099,413 2.588,414 1.19,415 3.499,416 2.088,417 1.116,418 1.628,420 2.55,421 1.085,422 2.578,423 1.108,424 3.475,425 2.053,426 1.096,427 1.571,428 2.512,429 1.039,430 1.484,431 1.087,432 3.146,433 1.216,434 0.259,435 0.297,436 0.379,437 0.244,438 1.275,439 0.258,440 2.713,441 0.862,442 -0.104,443 -0.135,445 -0.223,446 -0.1,447 1.191,448 0.189,449 2.62,450 0.837,451 -0.126,452 -0.156,454 -0.355,455 -0.12,456 1,457 0.178,458 2.571,459 0.418,460 -0.403,461 -0.51,463 -0.898,464 -0.255,465 13.548,466 0.484,467 0.875,468 0.031,469 41.5,470 1.482,471 23.5,472 0.839,473 18,474 0.643,475 18.972,476 0.678,477 29.652,478 0.674,479 34,480 1.214,481 8.243,482 0.294,483 5.054,484 0.18,485 0.193,486 0.062,487 0.295,493 0.642,494 1.263,495 0.693,496 1.072,497 0.722,498 0.803,499 0.599,500 1.082,501 0.728,502 0.888,503 0.567,504 0.846,505 0.996,506 1.1,507 1.054,508 1.09,509 0.945,510 1.007,511 1.285,512 1.085,513 1.027,514 1.056,515 1.318,516 0.992,517 1.315,518 0.934,519 1.008,520 0.947,521 1.343,522 0.914,523 1.101,524 0.977,525 0.942,526 0.969,527 1.078,528 1.072,529 0.812,530 1.003,531 0.781,532 0.932,533 0.851,534 1.008,535 0.751,536 0.931,537 0.928,538 0.967,539 0.821,540 1.099,541 7.5,542 0.165,543 4,544 2.313,545 1.836,546 1.083,547 0.651,548 0.486,549 0.288,550 0.282,551 9196,552 34250,553 1.984,554 36.4,556 11,558 1,559 4,564 1.711,565 1.816,566 3.446,567 1.768,568 1,569 1,573 84.792,574 1.927,575 3.839,576 4.67,577 5.215,578 5.26,579 5.26,580 2.897,581 4.084,582 4.781,583 3.601,584 1361.27,585 8.315,586 17968.3,588 1,590 1,591 240.215,592 1.678,593 4.706,594 0.25,595 0.008,596 0.093,597 0.051,598 0.044,599 0.027,600 0.019,601 0.015,602 0.01,603 0.012,604 0.53,605 0.17,606 1,607 0.991,608 140.592,609 -0.025,610 -0.071,611 0.113,612 -0.033,613 -0.184,614 0.062,615 0.207,616 0.02,617 0.049,618 0.056,619 0.197,620 0.032,621 -0.072,622 -0.051,623 -0.087,624 -0.073,625 -0.034,626 -0.075,627 -0.153,628 -0.046,629 -0.039,630 -0.021,631 -0.104,632 -0.071,633 -0.134,634 0.064,635 -0.065,636 -0.007,637 -0.096,639 -0.213,640 0.033,641 -0.164,642 -0.066,643 -0.172,644 -0.137,645 0.022,646 -0.061,647 0.055,648 0.011,649 -0.002,650 0.008,651 0.135,652 -0.02,653 0.02,654 -0.03,655 0.033,656 -0.071,657 4.738,658 5.561,659 0.643,660 24.98,661 1.027,662 1.124,663 1.792,664 3.211,665 0.715,666 3.434,667 3.784,668 4.007,669 4.22,670 4.431,671 4.419,672 4.533,673 4.554,674 4.615,675 4.7,676 6.598,677 0.692,678 417.91,679 3.434,680 4.99,681 5.832,682 6.718,683 7.578,684 8.465,685 9.332,686 10.218,687 11.089,688 11.975,689 11.4,693 1,694 1,696 1,699 2,704 9,705 2,709 7,711 18,718 1,722 1,730 1,731 44,733 21,734 2,735 30,737 46,738 18,739 16,740 4,741 8,742 1,746 3,747 3,748 1,761 17,762 1,766 3,769 1,771 3,775 1,778 1,781 16,782 8,783 4,784 10,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 1,848 28,849 1,852 1,855 2,869 1,870 6.8,873 3,877 15.417,878 8.043,879 6.125,880 2.273,881 3.352,882 1.463,883 1,884 5.843,885 10.588,886 3.761,887 4.413,888 4.933,889 5.477,890 6.022,891 6.2,892 6.608,893 6.862,894 7.188,895 7.56,896 1,897 45,898 10.574,900 4.806,901 8.156,902 18.859,904 15.228,905 2.656,906 74.361,909 1,910 141.253,911 122.601,912 100.884,913 39.149,914 69.458,916 5.807,917 116.794,918 249.86,919 100.884,920 8.396,921 18.011,922 114.515,923 135.91,924 25.555,925 2.328,926 129.482,927 39.149,928 141.253,929 217.677,930 69.458,931 44.956,933 141.253,934 69.458,937 32.572,938 135.13,939 94.932,941 141.253,942 170.342,943 161.75,945 5.807,946 141.253,947 23.54,948 93.254,949 34.416,950 175.075,951 141.253,952 170.342,953 161.75,955 0.591,956 0.343,957 0.175,958 0.096,959 20,960 10,961 0.109,962 5,964 1,965 3.821,966 238.737,968 18,969 132.606,973 1,974 20.082,975 8.147,976 4.616,978 170.342,979 13.891,980 8.214,984 1.596,986 67.313,987 473.345,988 42,991 -3.822,993 36.983,997 -0.468,999 45.193,1000 49.475,1001 0.353,1002 0.703,1003 0.855,1004 0.955,1005 0.964,1006 0.964,1007 5.001,1008 1.398,1009 5.866,1010 4.347,1011 4.466,1012 5.1,1013 1.176,1014 6.72,1015 4.362,1016 6.261,1017 1.129,1018 7.467,1019 3.847,1020 4.29,1021 5.19,1023 7.921,1024 4.09,1025 7.618,1026 1.116,1027 9.179,1028 2.763,1029 6.155,1030 7.425,1031 1.255,1032 10.944,1033 5.939,1034 9.017,1035 1.096,1036 10.959,1037 2.55,1038 6.758,1039 8.294,1041 12.961,1042 6.436,1043 10.448,1044 0.259,1045 12.784,1046 2.512,1047 8.171,1048 10.078,1049 1.338,1050 15.597,1051 7.822,1052 11.904,1053 -0.104,1054 14.641,1055 0.379,1056 9.108,1057 11.294,1059 17.922,1060 8.653,1061 13.38,1062 -0.126,1063 16.523,1064 -0.223,1065 10.366,1066 12.913,1067 1.422,1068 20.457,1069 9.863,1070 3.397,1071 -0.403,1072 18.423,1073 -0.355,1074 11.448,1075 14.291,1077 22.899,1078 10.843,1079 3.046,1080 12.527,1081 20.338,1082 -0.898,1083 12.655,1084 15.848,1085 1.51,1086 25.412,1087 11.985,1088 2.747,1089 9.932,1090 22.265,1091 4.711,1092 13.802,1093 17.306,1095 27.9,1096 13.032,1097 2.418,1098 8.859,1099 24.201,1100 4.094,1101 14.997,1102 18.842,1103 1.599,1104 30.413,1105 14.149,1106 2.219,1107 6.958,1108 26.146,1109 3.685,1110 16.173,1111 20.339,1113 32.92,1114 15.227,1115 1.963,1116 6.29,1117 28.097,1118 3.392,1119 17.369,1120 21.872,1121 1.69,1122 35.437,1123 16.336,1124 1.55,1125 5.18,1126 30.054,1127 2.992,1128 18.56,1129 23.389,1131 37.954,1132 17.43,1133 9100,1134 17727,1135 19.186,1136 31.466,1137 45.026,1138 46.961,1139 47.224,1140 44.864,1141 44.675,1142 61.589,1143 2.117,1144 132.289,1145 42.301,1146 5.689,1147 6.687,1148 6.861,1149 5.385,1150 5.397,1151 7.711,1152 2.117,1153 19.927,1154 5.096,1155 16.802,1156 1.501,1157 1.565,1158 1.574,1159 1.495,1160 1.489,1161 2.053,1162 0.071,1163 4.41,1164 1.41,1165 4.098,1166 4.089,1167 4.738,1168 4.079,1169 7.717,1170 4.002,1171 3.952,1172 3.971,1173 3.944,1174 3.874,1175 7.429,1176 3.869,1177 3.774,1178 3.812,1179 3.915,1180 3.633,1181 6.999,1182 3.65,1183 3.59,1184 3.573,1185 3.705,1186 3.522,1187 5.183,1188 3.447,1189 3.433,1190 3.51,1191 3.33,1192 3.171,1193 4.924,1194 3.195,1195 3.062,1196 3.143,1197 3.218,1198 2.889,1199 4.787,1200 2.889,1201 2.917,1202 2.989,1203 2.948,1204 2.795,1205 4.547,1206 2.767,1207 2.879,1208 2.926,1209 2.749,1210 2.735,1211 4.292,1212 2.725,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.859,1219 0.157,1220 4.687,1221 0.035,1222 7.311,1223 0.418,1224 4.316,1225 0.103,1226 3.397,1227 4.711,1228 1.058,1229 12.527,1230 3.096,1231 1.983,1232 1.985,1233 2.027,1234 2.072,1235 1.182,1236 2.088,1237 1.907,1238 1.889,1239 1.95,1240 1.992,1241 1.095,1242 2.003,1243 1.703,1244 1.665,1245 1.79,1246 1.876,1247 0.774,1248 1.864,1249 1.422,1250 1.454,1251 1.645,1252 1.666,1253 0.649,1254 1.667,1255 1.349,1256 1.271,1257 1.267,1258 1.555,1259 0.556,1260 1.596,1261 1.029,1262 0.969,1263 1.232,1264 1.278,1265 0.268,1266 1.278,1267 0.869,1268 0.824,1269 1.111,1270 1.161,1271 0.186,1272 1.139,1273 0.858,1274 0.806,1275 1.063,1276 1.043,1277 0.151,1278 1.075,1279 4.111,1281 5.451,1283 6.986,1285 8.603,1287 10.262,1289 1.46,1290 5.874,1293 5.697,1296 4.935,1305 30.427,1306 84.792,1307 168.931,1308 205.46,1309 229.46,1310 231.46,1311 231.46,1312 70.105,1313 7.236,1314 127.07,1315 135.45,1316 18,1317 12.51,1318 4.459,1319 3.7,1320 49.694,1321 113,1322 100,1323 0.219,1324 197.402,1325 338.87,1326 473.422,1327 13165,1328 2.3,1329 20.311,1330 0.725,1331 0.58,1332 21.061,1333 16.251,1334 13.297,1335 0.443,1336 0.33,1337 8.071,1338 11.741,1339 7.72,1340 6.432,1341 14.407,1342 9.895,1343 12.554,1344 0.292,1345 0.182,1346 14.263,1347 7.831,1348 10.02,1349 0.186,1350 0.1,1351 11.373,1352 5.374,1353 7.916,1354 0.118,1355 0.056,1356 9.244,1357 3.763,1358 6.372,1359 0.077,1360 0.031,1361 7.699,1362 2.612,1363 0.344,1364 94.835,1365 0.228,1366 26.652,1367 0.602,1368 146,1369 503.539,1370 212.887,1371 540.351,1372 712.97,1373 494,1374 170,1375 468.138,1376 239.642,1377 521.661,1378 756.52,1379 487,1380 5.471}
{0 CHEMBL2152139,1 2.004,2 10.931,3 3.194,4 10.2,5 112.85,6 10.281,7 0.581,8 3.913,9 4.002,10 3.867,11 3.534,12 5.148,13 3.51,14 4.389,15 4.504,16 4.201,17 3.899,18 5.876,19 3.867,20 4.618,21 4.75,22 4.335,23 4.036,24 6.034,25 3.982,26 4.666,27 4.806,28 4.377,29 3.999,30 6.119,31 3.935,32 4.636,33 4.784,34 4.322,35 3.917,36 6.194,37 3.901,38 4.528,39 4.685,40 4.105,41 3.894,42 5.874,43 3.836,44 4.541,45 4.711,46 4.11,47 3.883,48 5.886,49 3.8,50 4.459,51 4.635,52 4.122,53 3.79,54 5.827,55 3.689,56 0.193,57 0.69,58 6.095,59 3.744,60 27.069,61 3.349,62 0.497,63 1.025,64 10.814,65 6.183,66 61.124,67 6.295,68 0.636,69 1.216,70 21.003,71 8.589,72 71.211,73 8.245,74 0.809,75 1.216,76 30.618,77 9.282,78 110.134,79 7.805,80 0.947,81 1.146,82 24.167,83 8.194,84 123.203,85 7.136,86 0.603,87 1.074,88 17.082,89 7.231,90 73.027,91 7.086,92 0.656,93 1.019,94 22.767,95 8.142,96 79.811,97 8.751,98 0.649,99 0.922,100 23.019,101 7.719,102 74.804,103 8.643,104 52,105 45,106 0.342,107 0.674,108 0.806,109 0.89,110 0.898,111 0.898,112 3.408,113 1.004,114 -3.25,115 -3.24,116 -3.11,119 40.9,124 1,142 7,143 1,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 4,180 1,183 8,186 2,187 7,189 1,190 2,192 5,195 5,198 1,199 7,201 1,202 2,203 1,204 2,206 1,207 2,212 12,215 1,217 4,220 2,222 1,224 5,227 1,229 4,232 7,234 2,236 2,237 2,242 2,245 7,247 1,249 2,250 2,253 1,254 2,257 1,258 7,263 4,268 2,271 2,273 1,275 1313,276 18.842,277 18.842,278 18.842,279 18.842,280 18.842,281 16.221,282 15.092,283 10.745,284 19.445,285 15.177,286 15.177,287 15.177,288 15.177,289 15.177,290 11.118,291 10.759,292 4.988,293 16.223,294 3.455,295 1.509,296 0.737,297 0.244,298 0.199,299 0.199,300 4.081,301 2,304 1,305 1,306 661,307 3.873,311 304.418,318 1.667,319 47.829,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 64.167,331 317,332 4.863,333 4.687,334 7.315,335 4.323,336 3.404,337 4.713,338 1.058,339 12.546,340 3.101,341 4.427,342 3.583,343 6.452,344 4.021,345 3.055,346 4.117,348 9.951,349 2.948,350 4.213,351 3.182,352 6.186,353 3.796,354 2.835,355 3.829,357 9.111,358 2.727,359 3.854,360 2.888,361 5.88,362 3.44,363 2.495,364 3.393,366 8.053,367 2.313,368 3.789,369 2.802,370 5.212,371 3.276,372 2.366,373 3.202,375 6.488,376 2.114,377 3.358,378 2.444,379 4.875,380 2.937,381 1.975,382 2.583,384 5.191,385 1.882,386 3.011,387 1.969,388 4.622,389 2.516,390 1.589,391 2.199,393 4.463,394 1.428,395 2.872,396 1.629,397 4.37,398 2.369,399 1.414,400 2.033,402 4.056,403 1.323,404 2.826,405 1.466,406 4.134,407 2.329,408 1.388,409 1.95,411 3.653,412 1.25,413 2.61,414 1.314,415 3.815,416 2.101,417 1.127,418 1.653,420 2.759,421 1.093,422 2.578,423 1.181,424 3.488,425 2.053,426 1.108,427 1.571,428 2.529,429 1.039,430 1.533,431 1.087,432 3.187,433 1.224,434 0.289,435 0.338,436 0.6,437 0.257,438 1.475,439 0.646,440 2.803,441 1.102,442 0.203,443 0.244,445 0.34,446 0.166,447 1.239,448 0.238,449 2.646,450 0.842,451 -0.118,452 -0.149,454 -0.266,455 -0.112,456 1,457 0.188,458 2.602,459 0.439,460 -0.402,461 -0.507,463 -0.893,464 -0.255,465 14.262,466 0.492,467 0.964,468 0.033,469 42.25,470 1.457,471 23.5,472 0.81,473 18.75,474 0.647,475 21.427,476 0.739,477 30.738,478 0.699,479 35.276,480 1.216,481 8.331,482 0.287,483 5.377,484 0.185,485 0.233,486 0.058,487 0.316,493 0.644,494 1.26,495 0.632,496 1.007,497 0.723,498 0.759,499 0.617,500 1.074,501 0.676,502 0.822,503 0.575,504 0.791,505 0.996,506 1.102,507 1.034,508 1.076,509 0.949,510 0.991,511 1.333,512 1.081,513 1.055,514 1.044,515 1.388,516 1.03,517 1.151,518 0.931,519 0.912,520 0.945,521 1.211,522 0.866,523 1.083,524 0.967,525 0.897,526 0.905,527 1.063,528 0.994,529 0.945,530 0.998,531 1.028,532 0.982,533 0.921,534 1.031,535 0.781,536 0.913,537 0.869,538 0.883,539 0.845,540 1.023,541 8,542 0.165,543 4.667,544 2.375,545 2.187,546 1.306,547 0.771,548 0.58,549 0.403,550 0.302,551 9805,552 39377,553 1.965,554 34.1,556 10,558 1,559 4,564 1.722,565 1.785,566 3.444,567 1.766,569 1,573 88.188,574 2.004,575 3.95,576 4.723,577 5.215,578 5.26,579 5.26,580 2.902,581 4.487,582 4.831,583 3.593,584 1458.61,585 8.426,586 19581.6,588 1,591 240.215,592 1.713,593 4.748,594 0.258,595 0.007,596 0.104,597 0.049,598 0.05,599 0.03,600 0.02,601 0.016,602 0.013,603 0.012,604 0.558,605 0.17,606 1,607 0.998,608 146.692,609 -0.04,610 -0.068,611 0.074,612 -0.032,613 -0.183,614 0.063,615 0.168,616 0.03,617 0.044,618 0.086,619 0.185,620 0.061,621 -0.076,622 -0.054,623 -0.093,624 -0.078,625 -0.039,626 -0.075,627 -0.219,628 -0.043,629 -0.06,630 -0.011,631 -0.187,632 -0.118,633 -0.002,634 0.069,635 0.02,636 -0.004,637 0.02,638 0.046,639 -0.185,640 0.042,641 -0.079,642 -0.002,643 -0.152,644 -0.065,645 -0.031,646 -0.064,647 -0.029,648 -0.015,649 -0.045,650 -0.017,651 0.151,652 -0.006,653 0.162,654 0.072,655 0.027,656 0.011,657 4.845,658 5.655,659 0.621,660 25.96,661 1.034,662 1.123,663 2.019,664 4.078,665 0.735,666 3.466,667 3.829,668 4.06,669 4.263,670 4.511,671 4.511,672 4.605,673 4.654,674 4.771,675 4.812,676 6.577,677 0.71,678 452.35,679 3.466,680 5.03,681 5.878,682 6.767,683 7.636,684 8.525,685 9.401,686 10.291,687 11.17,688 12.059,689 11.4,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 2,731 44,733 21,734 2,735 31,737 46,738 18,739 16,740 5,741 7,742 1,746 3,747 3,748 2,761 17,762 1,766 3,769 1,771 3,775 1,778 1,781 15,782 8,783 4,784 11,785 3,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 2,848 29,849 1,852 1,855 2,869 2,870 6.8,873 3,877 16.25,878 8.102,879 6.319,880 2.26,881 3.317,882 1.455,883 0.998,884 6.291,885 10.615,886 3.784,887 4.449,888 4.975,889 5.511,890 6.08,891 6.278,892 6.667,893 6.944,894 7.337,895 7.661,896 1,897 48,898 10.969,900 5.029,901 8.194,902 19.42,904 15.71,905 2.694,906 78.139,909 1,910 129.482,911 116.625,912 100.884,913 78.297,914 69.458,916 5.807,917 110.818,918 277.237,919 100.884,920 8.396,921 18.011,922 105.038,923 135.91,924 29.055,925 2.328,926 117.711,927 78.297,928 129.482,929 211.702,930 69.458,931 84.105,933 129.482,934 69.458,937 32.572,938 129.154,939 134.081,941 129.482,942 170.342,943 194.923,945 5.807,946 129.482,947 27.04,948 83.778,949 34.416,950 214.223,951 129.482,952 170.342,953 194.923,955 0.596,956 0.348,957 0.172,958 0.099,959 21,960 11,961 0.109,962 5,964 1,965 3.848,966 253.389,968 18,969 136.881,973 1,974 21.335,975 8.551,976 4.793,978 170.342,979 11.809,980 8.19,984 1.31,986 67.313,987 494.747,988 43,991 -3.929,993 37.204,997 -0.493,999 45.516,1000 49.419,1001 0.367,1002 0.724,1003 0.865,1004 0.955,1005 0.964,1006 0.964,1007 5.034,1008 1.414,1009 5.922,1010 4.463,1011 4.511,1012 5.136,1013 1.176,1014 6.786,1015 4.383,1016 6.302,1017 1.388,1018 7.532,1019 4.056,1020 4.369,1021 5.263,1023 7.991,1024 4.129,1025 7.666,1026 1.127,1027 9.252,1028 3.653,1029 6.213,1030 7.472,1031 1.255,1032 11.015,1033 5.963,1034 9.069,1035 1.108,1036 11.036,1037 2.759,1038 6.836,1039 8.364,1041 13.019,1042 6.471,1043 10.504,1044 0.289,1045 12.862,1046 2.529,1047 8.236,1048 10.131,1049 1.338,1050 15.655,1051 7.849,1052 11.962,1053 0.203,1054 14.719,1055 0.6,1056 9.182,1057 11.356,1059 17.967,1060 8.685,1061 13.439,1062 -0.118,1063 16.597,1064 0.34,1065 10.432,1066 12.966,1067 1.422,1068 20.5,1069 9.892,1070 3.404,1071 -0.402,1072 18.494,1073 -0.266,1074 11.516,1075 14.346,1077 22.933,1078 10.874,1079 3.055,1080 12.546,1081 20.404,1082 -0.893,1083 12.719,1084 15.897,1085 1.51,1086 25.445,1087 12.015,1088 2.835,1089 9.951,1090 22.326,1091 4.713,1092 13.864,1093 17.353,1095 27.928,1096 13.063,1097 2.495,1098 9.111,1099 24.258,1100 4.117,1101 15.056,1102 18.885,1103 1.599,1104 30.44,1105 14.179,1106 2.366,1107 8.053,1108 26.197,1109 3.829,1110 16.231,1111 20.379,1113 32.946,1114 15.259,1115 1.975,1116 6.488,1117 28.144,1118 3.393,1119 17.425,1120 21.909,1121 1.69,1122 35.463,1123 16.368,1124 1.589,1125 5.191,1126 30.096,1127 3.202,1128 18.615,1129 23.424,1131 37.98,1132 17.462,1133 9741,1134 19693,1135 19.592,1136 32.324,1137 46.751,1138 49.307,1139 49.396,1140 46.734,1141 46.495,1142 63.651,1143 2.117,1144 139.477,1145 43.282,1146 5.698,1147 6.687,1148 6.865,1149 5.392,1150 5.404,1151 7.713,1152 2.117,1153 19.987,1154 5.101,1155 18.448,1156 1.508,1157 1.591,1158 1.593,1159 1.508,1160 1.5,1161 2.053,1162 0.068,1163 4.499,1164 1.396,1165 4.099,1166 4.089,1167 4.739,1168 4.081,1169 7.717,1170 4.005,1171 3.953,1172 3.971,1173 4.022,1174 3.882,1175 7.429,1176 3.874,1177 3.778,1178 3.812,1179 3.915,1180 3.639,1181 6.999,1182 3.657,1183 3.591,1184 3.573,1185 3.822,1186 3.525,1187 5.184,1188 3.448,1189 3.434,1190 3.51,1191 3.405,1192 3.178,1193 4.939,1194 3.2,1195 3.07,1196 3.142,1197 3.231,1198 2.914,1199 4.913,1200 2.91,1201 2.918,1202 2.989,1203 3.217,1204 2.795,1205 4.645,1206 2.767,1207 2.879,1208 2.926,1209 2.812,1210 2.735,1211 4.295,1212 2.725,1213 0.157,1214 0.151,1215 0.236,1216 0.139,1217 0.11,1218 4.863,1219 0.152,1220 4.687,1221 0.034,1222 7.315,1223 0.405,1224 4.323,1225 0.1,1226 3.404,1227 4.713,1228 1.058,1229 12.546,1230 3.101,1231 1.981,1232 1.986,1233 2,1234 2.066,1235 1.182,1236 2.082,1237 1.905,1238 1.89,1239 1.949,1240 1.992,1241 1.094,1242 2.001,1243 1.7,1244 1.665,1245 1.777,1246 1.865,1247 0.771,1248 1.854,1249 1.422,1250 1.454,1251 1.639,1252 1.665,1253 0.646,1254 1.666,1255 1.348,1256 1.271,1257 1.253,1258 1.554,1259 0.555,1260 1.594,1261 1.021,1262 0.971,1263 1.221,1264 1.267,1265 0.239,1266 1.266,1267 0.869,1268 0.824,1269 1.111,1270 1.16,1271 0.185,1272 1.138,1273 0.858,1274 0.806,1275 1.062,1276 1.043,1277 0.15,1278 1.075,1279 4.143,1281 5.493,1283 7.036,1285 8.662,1287 10.33,1289 1.446,1290 12.044,1293 5.7,1296 4.86,1305 31.254,1306 88.188,1307 173.809,1308 207.809,1309 229.46,1310 231.46,1311 231.46,1312 78.97,1313 7.298,1314 127.07,1315 135.45,1316 18,1317 12.591,1318 4.459,1319 3.7,1320 52.367,1321 115,1322 108,1323 0.225,1324 205.735,1325 354.08,1326 493.754,1327 13880,1328 4.5,1329 21.181,1330 0.73,1331 0.597,1332 22.431,1333 17.308,1334 13.708,1335 0.442,1336 0.335,1337 8.207,1338 11.863,1339 7.822,1340 6.491,1341 15.106,1342 10.379,1343 13.072,1344 0.29,1345 0.186,1346 15.151,1347 8.352,1348 10.573,1349 0.185,1350 0.101,1351 12.293,1352 5.784,1353 8.066,1354 0.115,1355 0.057,1356 9.649,1357 4.016,1358 6.794,1359 0.075,1360 0.033,1361 8.653,1362 2.946,1363 0.35,1364 100.474,1365 0.226,1366 27.322,1367 0.623,1368 152,1369 537.742,1370 234.406,1371 602.339,1372 784.94,1373 550,1374 178,1375 496,1376 259.843,1377 559.106,1378 813.43,1379 522,1380 7.046}
{0 CHEMBL2152140,1 1.892,2 10.862,3 3.016,4 9.093,5 113.087,6 9.19,7 0.581,8 3.963,9 4.063,10 3.831,11 3.56,12 5.163,13 3.53,14 4.448,15 4.585,16 4.145,17 3.921,18 5.876,19 3.883,20 4.662,21 4.805,22 4.342,23 4.079,24 6.01,25 4.014,26 4.763,27 4.925,28 4.329,29 4.035,30 6.241,31 3.98,32 4.7,33 4.873,34 4.16,35 3.975,36 6.031,37 3.924,38 4.645,39 4.807,40 4.174,41 3.966,42 6.057,43 3.907,44 4.657,45 4.83,46 4.057,47 3.922,48 6.02,49 3.844,50 4.488,51 4.674,52 3.993,53 3.815,54 5.654,55 3.722,56 0.158,57 0.74,58 9.042,59 4.155,60 21.575,61 4.319,62 0.455,63 1.105,64 15.443,65 6.919,66 59.981,67 7.849,68 0.485,69 1.315,70 24.478,71 9.203,72 55.911,73 9.647,74 0.82,75 1.35,76 31.116,77 9.988,78 104.746,79 10.327,80 0.639,81 1.289,82 26.343,83 8.787,84 85.359,85 8.964,86 0.609,87 1.21,88 26.903,89 9.028,90 73.104,91 9.49,92 0.756,93 1.113,94 26.302,95 8.708,96 108.982,97 9.451,98 0.347,99 1.009,100 21.188,101 7.831,102 47.599,103 9.524,104 52,105 45,106 0.319,107 0.674,108 0.818,109 0.888,110 0.888,111 0.888,112 3.408,113 0.998,114 -3.25,115 -3.24,116 -3.11,119 40.4,120 1,124 1,142 7,143 2,144 3,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 8,174 1,175 1,177 1,178 4,180 2,183 9,186 2,187 5,189 1,190 2,192 3,195 6,198 1,199 13,201 1,202 2,203 1,204 5,206 1,207 2,212 8,217 3,220 2,222 1,223 2,224 7,227 1,229 4,232 8,234 2,236 2,237 2,240 1,242 2,245 10,247 1,250 2,258 8,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 2,273 1,275 1327,276 18.842,277 18.842,278 18.842,279 18.842,280 18.842,281 16.221,282 16.672,283 10.77,284 19.305,285 15.187,286 15.187,287 15.187,288 15.187,289 15.187,290 11.126,291 14.151,292 5.008,293 15.962,294 3.662,295 1.557,296 0.706,297 0.287,298 0.287,299 0.287,300 4.081,301 1,304 1,305 1,306 657,307 3.873,311 304.035,318 1.729,319 45.196,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 63.833,331 315,332 4.896,333 4.716,334 7.405,335 4.361,336 3.446,337 4.755,338 1.058,339 12.909,340 3.126,341 4.405,342 3.583,343 6.447,344 4.002,345 3.034,346 4.076,348 9.919,349 2.93,350 4.092,351 2.934,352 6.085,353 3.7,354 2.716,355 3.675,357 8.799,358 2.671,359 3.994,360 2.786,361 5.66,362 3.573,363 2.588,364 3.576,366 7.587,367 2.544,368 3.676,369 2.712,370 5.366,371 3.186,372 2.261,373 3.077,375 6.722,376 2.053,377 3.353,378 2.443,379 4.875,380 2.933,381 1.973,382 2.578,384 5.197,385 1.88,386 3.247,387 2.163,388 4.728,389 2.851,390 1.879,391 2.496,393 5.161,394 1.802,395 2.862,396 1.552,397 4.37,398 2.355,399 1.414,400 2.019,402 4.056,403 1.299,404 2.677,405 1.34,406 4.118,407 2.2,408 1.208,409 1.755,411 3.167,412 1.193,413 2.644,414 1.312,415 3.815,416 2.128,417 1.136,418 1.695,420 2.758,421 1.121,422 2.578,423 1.189,424 3.484,425 2.053,426 1.127,427 1.571,428 2.588,429 1.039,430 1.49,431 1.087,432 3.199,433 1.221,434 0.271,435 0.312,436 0.435,437 0.252,438 1.392,439 0.655,440 2.811,441 0.962,442 0.066,443 0.081,445 0.134,446 0.051,447 1.203,448 0.2,449 2.698,450 0.847,451 -0.119,452 -0.15,454 -0.324,455 -0.115,456 1.094,457 0.025,458 2.6,459 0.609,460 -0.276,461 -0.355,463 -0.635,464 -0.224,465 14.048,466 0.484,467 0.964,468 0.033,469 42,470 1.448,471 23.5,472 0.81,473 18.5,474 0.638,475 21.593,476 0.745,477 30.952,478 0.659,479 35.345,480 1.219,481 8.299,482 0.286,483 5.408,484 0.186,485 0.222,486 0.059,487 0.32,493 0.634,494 1.274,495 0.7,496 1.083,497 0.719,498 0.832,499 0.579,500 1.04,501 0.696,502 0.848,503 0.55,504 0.797,505 0.947,506 1.138,507 0.889,508 1.034,509 0.954,510 1.001,511 1.103,512 1.063,513 1.145,514 1.151,515 1.127,516 1.009,517 1.45,518 0.998,519 1.043,520 0.936,521 1.425,522 0.892,523 1.118,524 1.014,525 1.133,526 1.127,527 1.132,528 0.961,529 1.403,530 0.825,531 1.166,532 0.855,533 1.521,534 1.005,535 0.757,536 1.222,537 0.899,538 1.134,539 0.79,540 1.093,541 8,542 0.132,543 4.444,544 2.75,545 1.947,546 1.583,547 0.731,548 0.556,549 0.534,550 0.191,551 9709,552 33523,553 1.965,554 38.3,555 3,556 10,558 1,559 4,564 1.723,565 1.785,566 3.416,567 1.731,568 1,569 1,573 88.932,574 1.892,575 3.998,576 4.849,577 5.267,578 5.267,579 5.267,580 2.879,581 4.418,582 4.829,583 3.579,584 1453.24,585 8.428,586 19401.1,588 1,590 1,591 261.066,592 1.713,593 4.748,594 0.258,595 0.007,596 0.099,597 0.057,598 0.042,599 0.038,600 0.017,601 0.015,602 0.017,603 0.007,604 0.557,605 0.17,606 1,607 0.998,608 146.38,609 -0.015,610 -0.07,611 0.116,612 -0.031,613 -0.18,614 0.057,615 0.227,616 0.061,617 0.099,618 0.111,619 0.212,620 0.11,621 -0.03,622 -0.068,623 0.065,624 -0.016,625 -0.051,626 -0.074,627 0.058,628 -0.045,629 -0.024,630 -0.101,631 0.066,632 -0.065,633 -0.31,634 0.03,635 -0.084,636 0.065,637 -0.213,638 0.036,639 -0.057,640 0.016,641 -0.071,642 -0.053,643 -0.008,644 -0.002,645 -0.188,646 0.093,647 -0.125,648 0.075,649 -0.236,650 -0.05,651 0.032,652 -0.286,653 0.12,654 -0.139,655 -0.064,656 -0.063,657 4.881,658 5.877,659 0.621,660 27.182,661 1.023,662 1.125,663 2.019,664 4.078,665 0.707,666 3.466,667 3.829,668 4.06,669 4.29,670 4.489,671 4.554,672 4.605,673 4.727,674 4.804,675 4.796,676 6.51,677 0.68,678 431.94,679 3.466,680 5.03,681 5.878,682 6.772,683 7.638,684 8.536,685 9.408,686 10.308,687 11.184,688 12.086,689 10.6,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 1,731 47,733 21,734 2,735 31,737 49,738 19,739 16,740 5,741 7,742 1,746 3,747 3,748 1,752 1,761 17,762 2,766 3,769 1,771 3,775 1,778 1,781 18,782 8,783 4,784 10,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 2,845 1,848 29,849 1,852 1,855 2,869 1,870 6.4,873 3,877 16.25,878 8.96,879 6.319,880 2.475,881 3.317,882 1.455,883 0.995,884 6.079,885 10.615,886 3.784,887 4.449,888 4.975,889 5.535,890 6.066,891 6.327,892 6.684,893 7.064,894 7.419,895 7.699,896 1,897 48,898 11.006,900 5.031,901 8.122,902 19.634,904 15.875,905 2.622,906 76.028,909 1,910 164.795,911 125.135,912 100.884,913 39.149,914 69.458,916 5.807,917 119.328,918 273.402,919 100.884,920 17.222,921 18.011,922 105.038,923 135.91,924 28.74,925 2.328,926 153.024,927 39.149,928 164.795,929 220.212,930 69.458,931 44.956,933 164.795,934 69.458,937 41.397,938 128.839,939 94.932,941 164.795,942 170.342,943 164.284,945 5.807,946 164.795,947 26.725,948 92.603,949 34.416,950 175.075,951 164.795,952 170.342,953 164.284,955 0.595,956 0.346,957 0.177,958 0.094,959 21,960 11,961 0.102,962 5,964 1,965 3.839,966 254.391,968 18,969 136.881,973 1,974 21.056,975 8.373,976 4.674,978 170.342,979 12.704,980 8.176,984 1.85,986 67.313,987 499.421,988 43,991 -3.965,993 37.662,997 -0.5,999 48.076,1000 52.89,1001 0.341,1002 0.72,1003 0.873,1004 0.948,1005 0.948,1006 0.948,1007 5.034,1008 1.414,1009 5.922,1010 5.161,1011 4.511,1012 5.136,1013 1.176,1014 6.79,1015 4.412,1016 6.302,1017 1.208,1018 7.532,1019 4.056,1020 4.369,1021 5.263,1023 8.003,1024 4.186,1025 7.666,1026 1.136,1027 9.252,1028 3.167,1029 6.213,1030 7.472,1031 1.255,1032 11.047,1033 6.003,1034 9.069,1035 1.127,1036 11.039,1037 2.758,1038 6.836,1039 8.364,1041 13.077,1042 6.521,1043 10.504,1044 0.271,1045 12.87,1046 2.588,1047 8.239,1048 10.133,1049 1.338,1050 15.745,1051 7.89,1052 11.964,1053 0.066,1054 14.732,1055 0.435,1056 9.192,1057 11.364,1059 18.093,1060 8.729,1061 13.442,1062 -0.119,1063 16.62,1064 0.134,1065 10.449,1066 12.978,1067 1.422,1068 20.663,1069 9.931,1070 3.446,1071 -0.276,1072 18.527,1073 -0.324,1074 11.545,1075 14.368,1077 23.135,1078 10.915,1079 3.034,1080 12.909,1081 20.451,1082 -0.635,1083 12.759,1084 15.927,1085 1.51,1086 25.683,1087 12.054,1088 2.716,1089 9.919,1090 22.387,1091 4.755,1092 13.92,1093 17.394,1095 28.203,1096 13.104,1097 2.588,1098 8.799,1099 24.334,1100 4.076,1101 15.126,1102 18.937,1103 1.599,1104 30.751,1105 14.221,1106 2.261,1107 7.587,1108 26.289,1109 3.675,1110 16.317,1111 20.443,1113 33.291,1114 15.303,1115 1.973,1116 6.722,1117 28.252,1118 3.576,1119 17.527,1120 21.984,1121 1.69,1122 35.842,1123 16.415,1124 1.879,1125 5.197,1126 30.221,1127 3.077,1128 18.734,1129 23.512,1131 38.391,1132 17.514,1133 9649,1134 18125,1135 19.592,1136 33.227,1137 46.55,1138 49.233,1139 49.429,1140 46.307,1141 46.238,1142 63.332,1143 2.117,1144 138.865,1145 43.922,1146 5.729,1147 6.716,1148 6.96,1149 5.432,1150 5.446,1151 7.755,1152 2.117,1153 20.672,1154 5.126,1155 18.351,1156 1.502,1157 1.588,1158 1.594,1159 1.494,1160 1.492,1161 2.043,1162 0.068,1163 4.48,1164 1.417,1165 4.111,1166 4.101,1167 4.744,1168 4.094,1169 7.717,1170 4.023,1171 3.917,1172 3.95,1173 3.953,1174 3.84,1175 7.429,1176 3.837,1177 3.839,1178 3.856,1179 3.833,1180 3.719,1181 6.999,1182 3.711,1183 3.591,1184 3.59,1185 3.78,1186 3.492,1187 5.183,1188 3.442,1189 3.424,1190 3.499,1191 3.405,1192 3.167,1193 4.903,1194 3.187,1195 3.162,1196 3.242,1197 3.223,1198 3.017,1199 4.75,1200 2.993,1201 3.057,1202 3.131,1203 2.98,1204 2.904,1205 4.644,1206 2.897,1207 2.917,1208 2.989,1209 2.795,1210 2.735,1211 4.223,1212 2.725,1213 0.158,1214 0.152,1215 0.239,1216 0.141,1217 0.111,1218 4.896,1219 0.153,1220 4.716,1221 0.034,1222 7.405,1223 0.416,1224 4.361,1225 0.101,1226 3.446,1227 4.755,1228 1.058,1229 12.909,1230 3.126,1231 1.997,1232 2.002,1233 2.035,1234 2.073,1235 1.21,1236 2.093,1237 1.902,1238 1.873,1239 1.986,1240 2.004,1241 1.118,1242 2.004,1243 1.729,1244 1.708,1245 1.774,1246 1.887,1247 0.801,1248 1.886,1249 1.442,1250 1.457,1251 1.637,1252 1.674,1253 0.68,1254 1.681,1255 1.338,1256 1.261,1257 1.548,1258 1.574,1259 0.614,1260 1.602,1261 1.185,1262 1.114,1263 1.246,1264 1.388,1265 0.51,1266 1.438,1267 1.013,1268 0.961,1269 1.223,1270 1.26,1271 0.238,1272 1.261,1273 0.862,1274 0.806,1275 1.097,1276 1.16,1277 0.184,1278 1.138,1279 4.143,1281 5.493,1283 7.036,1285 8.665,1287 10.337,1289 3.301,1290 6.156,1293 5.704,1296 4.939,1305 31.954,1306 88.932,1307 187.904,1308 227.904,1309 247.556,1310 247.556,1311 247.556,1312 77.527,1313 7.298,1314 127.07,1315 135.45,1316 18,1317 12.612,1318 4.459,1319 3.7,1320 52.324,1321 113,1322 108,1323 0.228,1324 206.995,1325 356.17,1326 496.827,1327 13796,1328 2.1,1329 21.181,1330 0.73,1331 0.592,1332 21.931,1333 17.174,1334 13.708,1335 0.442,1336 0.333,1337 8.488,1338 12.198,1339 8.065,1340 6.75,1341 14.817,1342 10.312,1343 13.087,1344 0.291,1345 0.183,1346 14.74,1347 8.246,1348 10.44,1349 0.183,1350 0.103,1351 11.938,1352 5.893,1353 8.427,1354 0.117,1355 0.058,1356 10.119,1357 4.187,1358 6.423,1359 0.073,1360 0.031,1361 7.623,1362 2.736,1363 0.355,1364 97.299,1365 0.226,1366 27.287,1367 0.637,1368 152,1369 511.539,1370 218.887,1371 549.152,1372 726.18,1373 502,1374 178,1375 479.138,1376 254.523,1377 534.433,1378 776.93,1379 498,1380 6.491}
{0 CHEMBL2152141,1 2.05,2 10.862,3 2.735,4 7.479,5 108.262,6 9.907,7 0.581,8 3.917,9 4.009,10 3.838,11 3.506,12 5.185,13 3.496,14 4.393,15 4.512,16 4.159,17 3.861,18 5.92,19 3.848,20 4.625,21 4.765,22 4.352,23 4.006,24 6.063,25 3.968,26 4.678,27 4.817,28 4.339,29 3.952,30 6.272,31 3.929,32 4.63,33 4.787,34 4.177,35 3.899,36 6.033,37 3.88,38 4.578,39 4.72,40 4.195,41 3.886,42 6.239,43 3.862,44 4.563,45 4.736,46 4.061,47 3.849,48 5.958,49 3.786,50 4.445,51 4.628,52 4.036,53 3.704,54 5.791,55 3.653,56 0.214,57 0.767,58 6.829,59 3.854,60 32.987,61 3.444,62 0.534,63 1.146,64 11.55,65 6.312,66 67.657,67 6.317,68 0.715,69 1.371,70 21.863,71 8.713,72 97.642,73 7.97,74 0.986,75 1.335,76 25.57,77 8.867,78 128.991,79 7.798,80 0.841,81 1.285,82 23.596,83 8.304,84 131.609,85 7.115,86 0.917,87 1.189,88 18.483,89 7.55,90 144.118,91 7.23,92 0.773,93 1.102,94 22.013,95 7.989,96 103.948,97 8.449,98 0.635,99 1.037,100 20.557,101 7.431,102 91.613,103 8.154,104 52,105 45,106 0.35,107 0.69,108 0.822,109 0.898,110 0.898,111 0.898,112 3.408,113 0.968,114 -3.14,115 -3.13,116 -3.01,119 40.9,124 1,142 7,143 1,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 4,180 2,183 6,186 2,187 5,189 1,190 2,192 2,195 4,198 1,199 13,201 1,202 2,203 1,204 4,206 1,207 1,212 6,217 3,220 2,222 1,223 2,224 5,227 1,229 4,232 7,234 2,236 2,237 2,240 1,242 2,245 6,247 1,250 2,258 4,262 2,263 4,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1327,276 18.842,277 18.842,278 18.842,279 18.842,280 18.842,281 16.221,282 15.874,283 10.77,284 19.367,285 15.187,286 15.187,287 15.187,288 15.187,289 15.187,290 11.126,291 12.712,292 5.008,293 16.084,294 3.41,295 1.418,296 0.646,297 0.199,298 0.199,299 0.199,300 4.081,301 1,304 1,305 1,306 657,307 3.873,311 304.035,318 1.729,319 54.943,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65.333,331 315,332 4.896,333 4.716,334 7.405,335 4.361,336 3.446,337 4.755,338 1.058,339 12.909,340 3.126,341 4.405,342 3.583,343 6.447,344 4.002,345 3.034,346 4.076,348 9.919,349 2.929,350 4.092,351 2.977,352 6.085,353 3.697,354 2.716,355 3.675,357 8.799,358 2.666,359 3.994,360 2.906,361 5.66,362 3.551,363 2.588,364 3.576,366 7.587,367 2.476,368 3.676,369 2.754,370 5.366,371 3.179,372 2.261,373 3.077,375 6.722,376 2.036,377 3.353,378 2.443,379 4.875,380 2.931,381 1.973,382 2.578,384 5.197,385 1.864,386 3.247,387 2.328,388 4.728,389 2.812,390 1.879,391 2.496,393 5.161,394 1.73,395 2.862,396 1.555,397 4.37,398 2.355,399 1.414,400 2.019,402 4.056,403 1.298,404 2.677,405 1.361,406 4.118,407 2.192,408 1.208,409 1.755,411 3.167,412 1.18,413 2.644,414 1.313,415 3.815,416 2.128,417 1.136,418 1.695,420 2.758,421 1.12,422 2.578,423 1.203,424 3.484,425 2.053,426 1.127,427 1.571,428 2.588,429 1.039,430 1.49,431 1.087,432 3.199,433 1.221,434 0.271,435 0.312,436 0.435,437 0.252,438 1.392,439 0.655,440 2.811,441 0.962,442 0.066,443 0.081,445 0.134,446 0.051,447 1.203,448 0.208,449 2.698,450 0.846,451 -0.119,452 -0.15,454 -0.324,455 -0.115,456 1.094,457 0.187,458 2.6,459 0.606,460 -0.276,461 -0.355,463 -0.635,464 -0.224,465 13.833,466 0.477,467 0.964,468 0.033,469 42.25,470 1.457,471 23.5,472 0.81,473 18.75,474 0.647,475 20.662,476 0.712,477 31.167,478 0.708,479 36.276,480 1.251,481 8.462,482 0.292,483 5.245,484 0.181,485 0.21,486 0.06,487 0.325,491 1,493 0.623,494 1.139,495 0.678,496 1.069,497 0.679,498 0.793,499 0.622,500 1.037,501 0.71,502 0.89,503 0.579,504 0.829,505 1.033,506 1.071,507 0.909,508 0.98,509 1.013,510 0.947,511 1.067,512 0.94,513 1.227,514 1.168,515 1.095,516 1.036,517 1.328,518 0.951,519 1.063,520 0.976,521 1.357,522 0.897,523 0.892,524 0.914,525 0.966,526 0.968,527 0.887,528 0.99,529 0.968,530 0.842,531 1.115,532 0.915,533 0.962,534 1.041,535 0.828,536 1.195,537 0.878,538 1.147,539 0.869,540 1.065,541 8,542 0.132,543 4.444,544 2.75,545 1.947,546 1.583,547 0.731,548 0.556,549 0.534,550 0.191,551 9709,552 38761,553 1.965,554 34.1,556 10,558 1,559 4,564 1.723,565 1.785,566 3.416,567 1.766,569 1,573 90.188,574 2.05,575 4.041,576 4.814,577 5.26,578 5.26,579 5.26,580 2.879,581 4.418,582 4.829,583 3.579,584 1453.24,585 8.428,586 19401.1,588 1,590 1,591 240.215,592 1.713,593 4.748,594 0.258,595 0.007,596 0.099,597 0.057,598 0.042,599 0.038,600 0.017,601 0.015,602 0.017,603 0.007,604 0.557,605 0.17,606 1,607 0.998,608 146.38,609 -0.041,610 -0.07,611 0.1,612 -0.033,613 -0.15,614 0.064,615 0.128,616 -0.029,617 0.051,618 0.053,619 0.143,620 0.047,621 -0.116,622 -0.038,623 0.049,624 0.04,625 -0.103,626 -0.022,627 -0.019,628 0.014,629 -0.107,630 -0.115,631 -0.013,632 -0.114,633 -0.308,634 -0.009,635 -0.102,636 0.038,637 -0.264,638 0.043,639 0.092,640 0.039,641 -0.048,642 -0.015,643 0.143,644 -0.074,645 -0.072,646 -0.016,647 -0.06,648 0.017,649 -0.098,650 -0.036,651 0.068,652 -0.245,653 0.192,654 -0.144,655 -0.028,656 -0.006,657 5.048,658 5.755,659 0.621,660 27.182,661 1.039,662 1.132,663 1.906,664 3.634,665 0.714,666 3.466,667 3.829,668 4.06,669 4.29,670 4.489,671 4.554,672 4.605,673 4.727,674 4.804,675 4.796,676 6.51,677 0.7,678 435.9,679 3.466,680 5.03,681 5.878,682 6.772,683 7.638,684 8.536,685 9.408,686 10.308,687 11.184,688 12.086,689 11.4,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 2,731 44,733 21,734 2,735 31,737 46,738 18,739 16,740 5,741 7,742 1,746 3,747 3,748 1,761 17,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 15,782 9,783 4,784 11,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 1,846 1,848 29,849 1,852 1,855 2,869 2,870 6.8,873 3,877 16.25,878 8.102,879 6.319,880 2.26,881 3.317,882 1.455,883 1,884 6.032,885 10.615,886 3.784,887 4.449,888 4.975,889 5.535,890 6.066,891 6.327,892 6.684,893 7.064,894 7.419,895 7.699,896 1,897 48,898 11.075,900 5.19,901 8.329,902 19.28,904 15.602,905 2.829,906 82.028,909 1,910 129.482,911 122.246,912 100.884,913 39.149,914 69.458,915 14.96,916 5.807,917 116.438,918 238.089,919 115.844,920 8.396,921 18.011,922 105.038,923 135.91,924 34.676,925 17.288,926 117.711,927 39.149,928 129.482,929 217.322,930 84.418,931 44.956,933 144.442,934 69.458,937 32.572,938 134.775,939 94.932,941 144.442,942 170.342,943 161.394,945 5.807,946 129.482,947 32.661,948 83.778,949 34.416,950 190.035,951 129.482,952 185.302,953 161.394,955 0.595,956 0.346,957 0.177,958 0.094,959 21,960 11,961 0.109,962 5,964 1,965 3.839,966 254.391,968 18,969 138.881,973 1,974 20.993,975 8.332,976 4.647,978 185.302,979 10.478,980 8.085,984 -0.452,986 67.313,987 476.178,988 43,991 -4.131,993 37.387,997 -0.536,999 45.705,1000 49.815,1001 0.375,1002 0.74,1003 0.882,1004 0.964,1005 0.964,1006 0.964,1007 5.034,1008 1.414,1009 5.922,1010 5.161,1011 4.511,1012 5.136,1013 1.176,1014 6.79,1015 4.397,1016 6.302,1017 1.208,1018 7.532,1019 4.056,1020 4.369,1021 5.263,1023 8.003,1024 4.158,1025 7.666,1026 1.136,1027 9.252,1028 3.167,1029 6.213,1030 7.472,1031 1.255,1032 11.047,1033 5.981,1034 9.069,1035 1.127,1036 11.039,1037 2.758,1038 6.836,1039 8.364,1041 13.077,1042 6.493,1043 10.504,1044 0.271,1045 12.87,1046 2.588,1047 8.239,1048 10.133,1049 1.338,1050 15.745,1051 7.865,1052 11.964,1053 0.066,1054 14.732,1055 0.435,1056 9.192,1057 11.364,1059 18.093,1060 8.703,1061 13.442,1062 -0.119,1063 16.62,1064 0.134,1065 10.449,1066 12.978,1067 1.422,1068 20.663,1069 9.907,1070 3.446,1071 -0.276,1072 18.527,1073 -0.324,1074 11.545,1075 14.368,1077 23.135,1078 10.891,1079 3.034,1080 12.909,1081 20.451,1082 -0.635,1083 12.759,1084 15.927,1085 1.51,1086 25.683,1087 12.032,1088 2.716,1089 9.919,1090 22.387,1091 4.755,1092 13.92,1093 17.394,1095 28.203,1096 13.084,1097 2.588,1098 8.799,1099 24.334,1100 4.076,1101 15.126,1102 18.937,1103 1.599,1104 30.751,1105 14.202,1106 2.261,1107 7.587,1108 26.289,1109 3.675,1110 16.317,1111 20.443,1113 33.291,1114 15.286,1115 1.973,1116 6.722,1117 28.252,1118 3.576,1119 17.527,1120 21.984,1121 1.69,1122 35.842,1123 16.399,1124 1.879,1125 5.197,1126 30.221,1127 3.077,1128 18.734,1129 23.512,1131 38.391,1132 17.499,1133 9649,1134 19451,1135 19.592,1136 31.404,1137 46.55,1138 49.357,1139 49.429,1140 46.395,1141 46.238,1142 63.332,1143 2.117,1144 138.865,1145 43.534,1146 5.729,1147 6.716,1148 6.96,1149 5.432,1150 5.446,1151 7.755,1152 2.117,1153 20.672,1154 5.126,1155 18.351,1156 1.502,1157 1.592,1158 1.594,1159 1.497,1160 1.492,1161 2.043,1162 0.068,1163 4.48,1164 1.404,1165 4.109,1166 4.098,1167 4.744,1168 4.092,1169 8.201,1170 4.021,1171 3.91,1172 3.943,1173 3.953,1174 3.814,1175 7.717,1176 3.816,1177 3.829,1178 3.847,1179 3.832,1180 3.712,1181 7.429,1182 3.706,1183 3.586,1184 3.583,1185 3.78,1186 3.488,1187 6.999,1188 3.436,1189 3.423,1190 3.496,1191 3.405,1192 3.166,1193 5.183,1194 3.186,1195 3.058,1196 3.132,1197 3.223,1198 2.904,1199 4.903,1200 2.898,1201 2.917,1202 2.989,1203 2.863,1204 2.735,1205 4.656,1206 2.743,1207 2.91,1208 2.962,1209 2.794,1210 2.732,1211 4.644,1212 2.723,1213 0.158,1214 0.152,1215 0.239,1216 0.141,1217 0.111,1218 4.896,1219 0.153,1220 4.716,1221 0.034,1222 7.405,1223 0.416,1224 4.361,1225 0.101,1226 3.446,1227 4.755,1228 1.058,1229 12.909,1230 3.126,1231 1.994,1232 2,1233 1.996,1234 2.071,1235 1.204,1236 2.089,1237 1.871,1238 1.844,1239 1.967,1240 1.99,1241 1.043,1242 1.982,1243 1.726,1244 1.703,1245 1.774,1246 1.881,1247 0.795,1248 1.878,1249 1.43,1250 1.449,1251 1.637,1252 1.671,1253 0.667,1254 1.676,1255 1.334,1256 1.26,1257 1.249,1258 1.554,1259 0.535,1260 1.584,1261 1.014,1262 0.962,1263 1.223,1264 1.261,1265 0.238,1266 1.262,1267 0.868,1268 0.81,1269 1.113,1270 1.16,1271 0.187,1272 1.138,1273 0.841,1274 0.792,1275 1.067,1276 1.069,1277 0.113,1278 1.084,1279 4.143,1281 5.493,1283 7.036,1285 8.665,1287 10.337,1289 1.418,1290 6.082,1291 13.355,1293 5.673,1296 4.669,1305 30.81,1306 90.188,1307 177.809,1308 211.809,1309 231.46,1310 231.46,1311 231.46,1312 87.653,1313 7.298,1314 127.07,1315 135.45,1316 18,1317 12.612,1318 4.459,1319 3.7,1320 52.324,1321 113,1322 108,1323 0.228,1324 198.601,1325 344.94,1326 476.346,1327 13796,1328 4.5,1329 21.181,1330 0.73,1331 0.571,1332 21.061,1333 16.552,1334 13.708,1335 0.442,1336 0.323,1337 8.151,1338 12.079,1339 7.822,1340 6.492,1341 14.423,1342 10.001,1343 13.087,1344 0.291,1345 0.175,1346 14.106,1347 7.887,1348 10.44,1349 0.183,1350 0.1,1351 11.617,1352 5.699,1353 8.427,1354 0.117,1355 0.056,1356 9.775,1357 4.03,1358 6.423,1359 0.073,1360 0.03,1361 7.505,1362 2.621,1363 0.355,1364 98.165,1365 0.226,1366 27.287,1367 0.637,1368 152,1369 597.65,1370 222.718,1371 602.388,1372 784.98,1373 550,1374 178,1375 512.471,1376 257.433,1377 559.225,1378 814.07,1379 522,1380 6.5}
{0 CHEMBL2152142,1 1.931,2 11.5,3 2.513,4 6.315,5 114.509,6 9.332,7 0.563,8 3.994,9 4.087,10 3.866,11 3.557,12 5.216,13 3.543,14 4.478,15 4.607,16 4.173,17 3.907,18 5.917,19 3.888,20 4.666,21 4.8,22 4.374,23 4.068,24 6.033,25 4.022,26 4.759,27 4.898,28 4.366,29 4.049,30 6.269,31 4.009,32 4.755,33 4.929,34 4.209,35 4.004,36 6.068,37 3.962,38 4.688,39 4.844,40 4.232,41 3.983,42 6.14,43 3.932,44 4.679,45 4.858,46 4.126,47 3.949,48 6.017,49 3.871,50 4.574,51 4.747,52 4.065,53 3.813,54 5.835,55 3.755,56 0.195,57 0.749,58 8.851,59 4.25,60 23.461,61 4.224,62 0.576,63 1.102,64 15.91,65 6.967,66 65.067,67 7.396,68 0.6,69 1.298,70 24.143,71 9.071,72 64.087,73 9.013,74 0.905,75 1.341,76 28.636,77 9.672,78 103.398,79 9.507,80 0.778,81 1.324,82 28.442,83 9.398,84 97.651,85 9.65,86 0.846,87 1.239,88 23.629,89 8.576,90 86.965,91 9.134,92 0.749,93 1.152,94 30.429,95 9.662,96 91.858,97 10.571,98 0.661,99 1.031,100 23.889,101 8.11,102 86.945,103 8.988,104 55,105 46,106 0.324,107 0.682,108 0.822,109 0.891,110 0.891,111 0.891,112 3.441,113 0.977,114 -2.51,115 -2.54,116 -2.48,119 39.6,124 2,142 7,143 1,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 3,177 1,178 4,180 2,183 6,186 2,187 6,189 1,190 2,192 2,195 4,198 1,199 14,201 1,202 3,203 1,204 4,206 1,207 1,212 6,217 3,220 2,222 1,223 4,224 5,227 1,229 4,232 7,234 2,236 2,237 3,240 1,242 2,245 6,247 1,250 5,258 4,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1496,276 19.712,277 19.712,278 19.712,279 19.712,280 19.712,281 17.144,282 18.56,283 11.272,284 20.354,285 15.614,286 15.614,287 15.614,288 15.614,289 15.614,290 11.548,291 17.119,292 5.154,293 16.578,294 3.654,295 1.524,296 0.691,297 0.281,298 0.281,299 0.281,300 4.115,301 1,304 1,305 1,306 718,307 4,311 316.335,318 1.833,319 48.594,322 1,323 0.83,324 1,325 0.6,327 0.83,328 0.5,329 0.68,330 66.833,331 345,332 4.896,333 4.716,334 7.405,335 4.361,336 3.446,337 4.755,338 1.058,339 12.909,340 3.126,341 4.405,342 3.583,343 6.447,344 4.002,345 3.034,346 4.076,347 0.86,348 9.919,349 2.929,350 4.098,351 2.949,352 6.085,353 3.702,354 2.723,355 3.687,357 8.8,358 2.668,359 4.016,360 2.882,361 5.683,362 3.587,363 2.622,364 3.587,366 7.756,367 2.518,368 3.678,369 2.752,370 5.449,371 3.192,372 2.275,373 3.078,375 6.888,376 2.05,377 3.354,378 2.443,379 4.915,380 2.937,381 1.979,382 2.581,384 5.611,385 1.878,386 3.304,387 2.333,388 4.874,389 2.887,390 1.951,391 2.553,393 5.188,394 1.801,395 2.863,396 1.557,397 4.37,398 2.355,399 1.414,400 2.019,402 4.056,403 1.299,404 2.689,405 1.393,406 4.126,407 2.214,408 1.232,409 1.772,411 3.174,412 1.203,413 2.648,414 1.315,415 3.815,416 2.13,417 1.139,418 1.698,420 2.758,421 1.121,422 2.578,423 1.224,424 3.5,425 2.053,426 1.127,427 1.571,428 2.624,429 1.039,430 1.584,431 1.087,432 3.205,433 1.295,434 0.431,435 0.482,436 0.626,437 0.369,438 1.49,439 0.936,440 2.813,441 1.221,442 0.271,443 0.312,445 0.434,446 0.252,447 1.392,448 0.654,449 2.718,450 0.962,451 0.066,452 0.081,454 0.134,455 0.051,456 1.194,457 0.199,458 2.663,459 0.845,460 -0.12,461 -0.151,463 -0.329,464 -0.115,465 14.381,466 0.479,467 0.926,468 0.031,469 43.5,470 1.45,471 24,472 0.8,473 19.5,474 0.65,475 21.954,476 0.732,477 32.419,478 0.675,479 37.509,480 1.25,481 8.743,482 0.291,483 5.502,484 0.183,485 0.217,486 0.058,487 0.313,493 0.701,494 1.327,495 0.695,496 1.127,497 0.729,498 0.846,499 0.792,500 1.019,501 0.726,502 0.813,503 0.603,504 0.759,505 1.024,506 1.112,507 0.892,508 0.991,509 0.99,510 0.94,511 1.077,512 1.098,513 1.201,514 1.208,515 1.174,516 1.081,517 1.286,518 1.031,519 0.994,520 0.968,521 1.371,522 0.9,523 0.955,524 0.976,525 0.99,526 0.981,527 1.078,528 0.988,529 1.049,530 0.918,531 1.239,532 1.062,533 1.13,534 0.997,535 1.094,536 1.124,537 0.94,538 1.063,539 1.272,540 1.034,541 8,542 0.144,543 4.444,544 2.75,545 1.987,546 1.646,547 0.812,548 0.556,549 0.558,550 0.201,551 10678,552 38880,553 1.966,554 37.5,556 13,558 1,559 4,564 1.731,565 1.791,566 3.484,567 1.73,569 1,573 92.699,574 1.931,575 4.061,576 4.894,577 5.304,578 5.304,579 5.304,580 2.911,581 4.548,582 4.878,583 3.637,584 1582.28,585 8.524,586 21719.7,588 1,591 268.078,592 1.697,593 4.8,594 0.25,595 0.007,596 0.097,597 0.055,598 0.041,599 0.037,600 0.019,601 0.014,602 0.016,603 0.006,604 0.543,605 0.17,606 0.88,607 1.077,608 153.443,609 -0.04,610 -0.114,611 0.114,612 -0.062,613 -0.181,614 0.041,615 0.103,616 0.08,617 0.079,618 0.153,619 0.178,620 0.139,621 -0.091,622 -0.03,623 0.066,624 0.039,625 -0.065,626 -0.019,627 0.018,628 -0.047,629 -0.1,630 -0.154,631 0.029,632 -0.158,633 -0.25,634 -0.025,635 -0.038,636 0.041,637 -0.2,638 0.059,639 0.059,640 0.058,641 -0.029,642 0.008,643 0.018,644 -0.054,645 -0.06,646 0.032,647 -0.071,648 -0.009,649 -0.064,650 0.022,651 -0.067,652 -0.21,653 0.085,654 -0.078,655 -0.202,656 -0.029,657 4.945,658 5.925,659 0.6,660 29.058,661 1.029,662 1.127,663 1.28,664 1.64,665 0.702,666 3.497,667 3.85,668 4.094,669 4.317,670 4.522,671 4.585,672 4.663,673 4.754,674 4.852,675 4.836,676 6.738,677 0.681,678 447.94,679 3.497,680 5.056,681 5.905,682 6.797,683 7.664,684 8.56,685 9.434,686 10.332,687 11.209,688 12.109,689 10.4,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,729 1,730 1,731 48,733 21,734 2,735 32,737 50,738 19,739 16,740 5,741 7,742 1,746 3,747 3,748 1,761 17,762 2,766 3,769 1,771 3,775 1,778 1,781 18,782 9,783 4,784 11,785 2,790 5,794 1,795 4,802 1,812 3,840 3,842 1,844 2,845 1,848 30,849 1,852 1,855 2,856 1,869 1,870 8.3,873 3,875 1,877 16.75,878 9.126,879 6.653,880 2.433,881 3.347,882 1.453,883 0.985,884 6.582,885 10.73,886 3.807,887 4.46,888 4.996,889 5.552,890 6.087,891 6.349,892 6.722,893 7.074,894 7.442,895 7.715,896 0.875,897 50,898 11.378,900 5.182,901 8.151,902 20.168,904 16.12,905 2.651,906 79.528,909 1,910 164.795,911 129.251,912 100.884,913 39.149,914 80.458,916 5.807,917 123.444,918 284.402,919 100.884,920 19.279,921 18.011,922 105.038,923 135.91,924 41.798,925 2.328,926 153.024,927 39.149,928 164.795,929 224.328,930 80.458,931 44.956,933 164.795,934 80.458,937 32.572,938 141.78,939 94.932,941 164.795,942 181.342,943 168.4,945 5.807,946 164.795,947 28.783,948 94.661,949 34.416,950 186.075,951 164.795,952 181.342,953 168.4,955 0.589,956 0.35,957 0.179,958 0.095,959 21,960 11,961 0.12,962 6,964 1,965 3.923,966 265.627,968 18,969 145.207,973 1,974 21.994,975 8.978,976 4.907,978 181.342,979 12.147,980 8.167,984 1.205,986 67.313,987 514.537,988 44,991 -4.028,993 37.772,997 -0.511,999 49.404,1000 54.1,1001 0.346,1002 0.727,1003 0.876,1004 0.95,1005 0.95,1006 0.95,1007 5.053,1008 1.414,1009 5.943,1010 5.188,1011 4.533,1012 5.147,1013 1.552,1014 6.81,1015 4.418,1016 6.315,1017 1.232,1018 7.552,1019 4.056,1020 4.369,1021 5.263,1023 8.021,1024 4.167,1025 7.677,1026 1.139,1027 9.271,1028 3.174,1029 6.232,1030 7.48,1031 1.527,1032 11.063,1033 6,1034 9.079,1035 1.127,1036 11.057,1037 2.758,1038 6.847,1039 8.369,1041 13.089,1042 6.51,1043 10.514,1044 0.431,1045 12.886,1046 2.624,1047 8.256,1048 10.139,1049 1.53,1050 15.753,1051 7.883,1052 11.973,1053 0.271,1054 14.747,1055 0.626,1056 9.203,1057 11.369,1059 18.099,1060 8.719,1061 13.451,1062 0.066,1063 16.633,1064 0.434,1065 10.461,1066 12.983,1067 1.557,1068 20.666,1069 9.922,1070 3.446,1071 -0.12,1072 18.539,1073 0.134,1074 11.555,1075 14.372,1077 23.137,1078 10.905,1079 3.034,1080 12.909,1081 20.46,1082 -0.329,1083 12.768,1084 15.93,1085 1.603,1086 25.685,1087 12.045,1088 2.723,1089 9.919,1090 22.395,1091 4.755,1092 13.927,1093 17.397,1095 28.204,1096 13.095,1097 2.622,1098 8.8,1099 24.34,1100 4.076,1101 15.133,1102 18.939,1103 1.663,1104 30.752,1105 14.213,1106 2.275,1107 7.756,1108 26.295,1109 3.687,1110 16.323,1111 20.446,1113 33.292,1114 15.296,1115 1.979,1116 6.888,1117 28.256,1118 3.587,1119 17.532,1120 21.986,1121 1.734,1122 35.842,1123 16.408,1124 1.951,1125 5.611,1126 30.225,1127 3.078,1128 18.738,1129 23.513,1131 38.391,1132 17.507,1133 10633,1134 20474,1135 20.285,1136 33.682,1137 47.489,1138 50.696,1139 50.749,1140 47.457,1141 47.42,1142 64.504,1143 3.837,1144 141.753,1145 44.61,1146 5.732,1147 6.716,1148 6.997,1149 5.433,1150 5.446,1151 7.755,1152 2.117,1153 20.672,1154 5.126,1155 18.859,1156 1.484,1157 1.584,1158 1.586,1159 1.483,1160 1.482,1161 2.016,1162 0.12,1163 4.43,1164 1.394,1165 4.11,1166 4.098,1167 4.744,1168 4.093,1169 7.717,1170 4.021,1171 3.911,1172 3.941,1173 3.953,1174 3.815,1175 7.429,1176 3.817,1177 3.832,1178 3.847,1179 3.83,1180 3.713,1181 6.999,1182 3.707,1183 3.588,1184 3.585,1185 3.779,1186 3.488,1187 5.183,1188 3.437,1189 3.424,1190 3.498,1191 3.405,1192 3.167,1193 4.907,1194 3.187,1195 3.243,1196 3.306,1197 3.223,1198 2.967,1199 4.864,1200 2.976,1201 3.058,1202 3.132,1203 3.071,1204 2.904,1205 4.644,1206 2.898,1207 2.917,1208 2.989,1209 2.795,1210 2.735,1211 4.395,1212 2.725,1213 0.153,1214 0.147,1215 0.231,1216 0.136,1217 0.108,1218 4.896,1219 0.149,1220 4.716,1221 0.033,1222 7.405,1223 0.403,1224 4.361,1225 0.098,1226 3.446,1227 4.755,1228 1.058,1229 12.909,1230 3.126,1231 1.994,1232 2,1233 1.998,1234 2.072,1235 1.205,1236 2.089,1237 1.874,1238 1.85,1239 1.972,1240 1.994,1241 1.057,1242 1.986,1243 1.726,1244 1.705,1245 1.774,1246 1.884,1247 0.796,1248 1.88,1249 1.433,1250 1.451,1251 1.637,1252 1.673,1253 0.668,1254 1.679,1255 1.335,1256 1.26,1257 1.572,1258 1.578,1259 0.578,1260 1.598,1261 1.19,1262 1.118,1263 1.248,1264 1.481,1265 0.531,1266 1.513,1267 1.014,1268 0.961,1269 1.223,1270 1.261,1271 0.238,1272 1.261,1273 0.863,1274 0.806,1275 1.105,1276 1.16,1277 0.188,1278 1.138,1279 4.174,1281 5.517,1283 7.059,1285 8.686,1287 10.358,1289 2.919,1290 6.158,1293 5.705,1296 4.888,1297 5.106,1305 32.668,1306 92.699,1307 194.917,1308 234.917,1309 254.568,1310 254.568,1311 254.568,1312 81.727,1313 7.383,1314 136.3,1315 144.68,1316 18,1317 12.636,1318 4.459,1319 3.7,1320 55.181,1321 120,1322 126,1323 0.225,1324 210.991,1325 364.96,1326 506.578,1327 15511,1328 2.1,1329 21.889,1330 0.73,1331 0.586,1332 22.639,1333 17.582,1334 14.246,1335 0.445,1336 0.326,1337 8.558,1338 12.578,1339 8.164,1340 6.819,1341 15.355,1342 10.424,1343 13.256,1344 0.288,1345 0.176,1346 14.909,1347 8.109,1348 10.864,1349 0.184,1350 0.101,1351 12.361,1352 5.944,1353 8.641,1354 0.117,1355 0.056,1356 10.333,1357 4.165,1358 6.71,1359 0.074,1360 0.03,1361 7.898,1362 2.729,1363 0.35,1364 101.642,1365 0.222,1366 28.119,1367 0.623,1368 156,1369 559.274,1370 225.765,1371 586.597,1372 773.98,1373 538,1374 183,1375 509.683,1376 262.181,1377 563.253,1378 818.3,1379 524,1380 6.538}
{0 CHEMBL2152143,1 2.141,2 11.719,3 3.472,4 12.052,5 114.019,6 10.339,7 0.529,8 3.992,9 4.081,10 3.924,11 3.554,12 5.285,13 3.564,14 4.508,15 4.624,16 4.319,17 3.915,18 6.358,19 3.928,20 4.691,21 4.822,22 4.453,23 4.072,24 6.189,25 4.054,26 4.813,27 4.957,28 4.45,29 4.026,30 6.443,31 4.033,32 4.742,33 4.9,34 4.307,35 3.968,36 6.272,37 3.969,38 4.688,39 4.834,40 4.353,41 3.957,42 6.166,43 3.946,44 4.709,45 4.858,46 4.308,47 3.914,48 6.604,49 3.902,50 4.522,51 4.693,52 4.146,53 3.806,54 5.875,55 3.776,56 0.324,57 0.95,58 5.977,59 4.238,60 60.753,61 3.489,62 1.143,63 1.765,64 11.949,65 7.137,66 185.509,67 6.435,68 0.907,69 1.604,70 19.811,71 9.345,72 127.153,73 8.333,74 1.426,75 1.695,76 27.302,77 10.196,78 215.084,79 8.15,80 1.264,81 1.575,82 23.127,83 8.889,84 180.238,85 7.488,86 1.129,87 1.502,88 23.62,89 9.306,90 196.573,91 7.446,92 1.627,93 1.327,94 23.139,95 8.844,96 293.46,97 8.577,98 0.795,99 1.255,100 18.391,101 7.932,102 122.357,103 8.564,104 87,105 51,106 0.361,107 0.696,108 0.818,109 0.888,110 0.888,111 0.888,112 3.502,113 0.938,114 -3.58,115 -3.55,116 -3.39,119 40.4,124 1,132 1,142 7,143 2,144 3,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 7,174 1,175 1,177 1,178 4,180 2,183 7,186 2,187 5,189 1,190 2,192 3,195 5,198 1,199 13,201 1,202 2,203 1,204 4,206 1,207 1,212 8,217 3,220 2,222 1,223 2,224 5,227 1,229 4,232 8,234 2,236 2,237 2,240 1,242 2,245 9,247 1,250 2,258 5,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1804,276 20.314,277 20.314,278 20.314,279 20.314,280 20.314,281 17.784,282 18.701,283 11.411,284 21.028,285 16.661,286 16.661,287 16.661,288 16.661,289 16.661,290 12.664,291 16.834,292 5.292,293 17.923,294 3.413,295 1.429,296 0.706,297 0.287,298 0.287,299 0.287,300 4.172,301 1,305 1,306 776,307 4.583,311 340.933,318 1.924,319 73.893,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 74.333,331 375,332 4.896,333 4.716,334 7.406,335 4.363,336 3.449,337 4.755,338 3.825,339 12.91,340 3.129,341 4.449,342 4.46,343 7.116,344 4.173,345 3.314,346 4.076,347 1.058,348 11.688,349 2.934,350 4.404,351 3.583,352 6.447,353 4.001,354 3.034,355 3.858,357 9.919,358 2.875,359 4.076,360 2.93,361 6.085,362 3.686,363 2.702,364 3.624,366 8.797,367 2.654,368 3.765,369 2.767,370 5.635,371 3.37,372 2.43,373 3.113,375 7.413,376 2.241,377 3.64,378 2.591,379 5.256,380 3.126,381 2.203,382 3.006,384 6.496,385 1.998,386 3.352,387 2.443,388 4.875,389 2.927,390 1.971,391 2.577,393 5.189,394 1.852,395 2.905,396 1.868,397 4.51,398 2.475,399 1.538,400 2.039,402 4.4,403 1.414,404 2.862,405 1.547,406 4.37,407 2.354,408 1.414,409 2.017,411 4.056,412 1.296,413 2.657,414 1.322,415 4.116,416 2.141,417 1.157,418 1.709,420 3.157,421 1.128,422 2.578,423 1.301,424 3.815,425 2.09,426 1.127,427 1.6,428 2.758,429 1.077,430 2.57,431 1.163,432 3.494,433 2.053,434 1.107,435 1.571,436 2.538,437 1.039,438 1.49,439 1.087,440 3.204,441 1.221,442 0.271,443 0.312,445 0.435,446 0.252,447 1.392,448 0.654,449 2.814,450 0.962,451 0.066,452 0.081,454 0.134,455 0.051,456 1.198,457 0.51,458 2.74,459 0.846,460 -0.12,461 -0.15,463 -0.328,464 -0.115,465 14.905,466 0.466,467 1.253,468 0.039,469 44.25,470 1.383,471 23.5,472 0.734,473 20.75,474 0.648,475 24.902,476 0.778,477 35.495,478 0.755,479 41.944,480 1.311,481 8.938,482 0.279,483 5.981,484 0.187,485 0.233,486 0.089,487 0.302,490 3,493 0.611,494 1.035,495 0.658,496 1.077,497 0.685,498 0.805,499 0.476,500 0.779,501 0.668,502 0.839,503 0.458,504 0.812,505 0.776,506 0.956,507 0.845,508 1.03,509 0.738,510 0.994,511 1.157,512 1.02,513 1.247,514 1.142,515 1.134,516 1.05,517 1.101,518 0.819,519 1.059,520 0.927,521 1.115,522 0.921,523 1.038,524 0.912,525 1.086,526 1.121,527 1.13,528 1.028,529 0.709,530 0.767,531 1.031,532 0.848,533 0.691,534 0.999,535 0.715,536 1.051,537 0.85,538 1.13,539 0.713,540 1.078,541 10,542 0.235,543 5.333,544 3.125,545 2.244,546 1.771,547 1.016,548 0.649,549 0.682,550 0.27,551 12628,552 57226,553 1.926,554 31.9,556 10,558 1,559 4,564 1.747,565 1.73,566 3.514,567 1.725,569 1,573 100.632,574 2.141,575 4.126,576 4.849,577 5.267,578 5.267,579 5.267,580 2.941,581 4.515,582 4.972,583 3.705,584 1837.81,585 8.709,586 26529,591 261.066,592 1.81,593 4.87,594 0.294,595 0.009,596 0.105,597 0.058,598 0.043,599 0.037,600 0.023,601 0.014,602 0.018,603 0.007,604 0.608,605 0.17,606 0.88,607 1.077,608 167.349,609 -0.048,610 -0.068,611 0.083,612 -0.03,613 -0.148,614 0.063,615 0.357,616 0.267,617 0.087,618 0.123,619 0.362,620 0.059,621 -0.064,622 -0.112,623 0.07,624 -0.021,625 -0.03,626 -0.044,627 -0.176,628 -0.074,629 -0.164,630 -0.096,631 -0.132,632 -0.106,633 -0.198,634 0.057,635 -0.116,636 0.066,637 -0.174,638 0.029,639 -0.153,640 -0.006,641 -0.051,642 -0.054,643 -0.216,644 -0.055,645 0.261,646 0.062,647 0.002,648 0.077,649 0.301,650 -0.019,651 0.011,652 -0.264,653 0.18,654 -0.146,655 -0.029,656 0.005,657 5.894,658 5.846,659 0.563,660 32.047,661 1.056,662 1.147,663 2.352,664 5.534,665 0.703,666 3.555,667 3.951,668 4.159,669 4.369,670 4.585,671 4.644,672 4.771,673 4.804,674 4.942,675 4.913,676 7.077,677 0.704,678 485.91,679 3.555,680 5.142,681 5.989,682 6.895,683 7.763,684 8.667,685 9.542,686 10.445,687 11.325,688 12.227,689 10.6,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 1,731 47,733 21,734 2,735 34,737 49,738 19,739 16,740 5,741 7,742 1,746 3,747 3,748 1,752 1,757 1,761 17,762 2,766 3,769 1,771 3,775 1,779 3,781 15,782 11,783 4,784 13,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 1,846 3,848 32,849 1,852 1,855 2,860 1,869 4,870 6.4,873 3,877 18.5,878 8.638,879 6.819,880 2.394,881 3.39,882 1.45,883 0.995,884 6.653,885 10.925,886 3.85,887 4.516,888 5.035,889 5.587,890 6.127,891 6.391,892 6.795,893 7.094,894 7.487,895 7.746,896 0.875,897 54,898 12.83,900 6.578,901 8.602,902 20.882,904 16.969,905 3.102,906 99.278,910 129.482,911 124.07,912 100.884,913 39.149,914 69.458,915 44.88,916 5.807,917 118.262,918 238.089,919 145.764,920 8.396,921 18.011,922 105.038,923 135.91,924 73.62,925 2.328,926 117.711,927 46.908,928 129.482,929 219.146,930 114.338,931 44.956,933 129.482,934 114.338,937 40.331,938 128.839,939 94.932,941 174.362,942 170.342,943 163.218,945 5.807,946 137.242,947 26.725,948 83.778,949 34.416,950 219.955,951 129.482,952 215.222,953 163.218,955 0.606,956 0.345,957 0.169,958 0.091,959 24,960 13,961 0.102,962 5,964 1,965 4.009,966 292.387,968 18,969 153.245,973 1,974 23.799,975 8.946,976 5.325,978 215.222,979 8.836,980 7.995,984 -1.821,986 67.313,987 507.923,988 46,991 -4.377,993 37.59,997 -0.593,999 49.614,1000 53.909,1001 0.385,1002 0.743,1003 0.873,1004 0.948,1005 0.948,1006 0.948,1007 5.127,1008 1.538,1009 6.071,1010 5.189,1011 4.635,1012 5.204,1013 3.139,1014 6.974,1015 4.495,1016 6.411,1017 1.414,1018 7.711,1019 4.4,1020 4.635,1021 5.38,1022 3.903,1023 8.324,1024 4.339,1025 7.789,1026 1.157,1027 9.465,1028 4.056,1029 6.409,1030 7.538,1031 5.431,1032 11.325,1033 6.112,1034 9.203,1035 1.127,1036 11.285,1037 3.157,1038 7.14,1039 8.452,1040 6.69,1041 13.42,1042 6.678,1043 10.648,1044 1.107,1045 13.147,1046 2.758,1047 8.515,1048 10.198,1049 8.059,1050 16.066,1051 8.026,1052 12.114,1053 0.271,1054 15.036,1055 2.538,1056 9.53,1057 11.434,1058 9.388,1059 18.428,1060 8.892,1061 13.598,1062 0.066,1063 16.946,1064 0.435,1065 10.781,1066 13.035,1067 10.734,1068 20.979,1069 10.085,1070 3.449,1071 -0.12,1072 18.87,1073 0.134,1074 11.91,1075 14.423,1076 12.074,1077 23.442,1078 11.081,1079 3.314,1080 12.91,1081 20.807,1082 -0.328,1083 13.125,1084 15.973,1085 13.416,1086 25.972,1087 12.215,1088 3.034,1089 11.688,1090 22.752,1091 4.755,1092 14.3,1093 17.437,1094 14.758,1095 28.475,1096 13.27,1097 2.702,1098 9.919,1099 24.705,1100 4.076,1101 15.507,1102 18.973,1103 16.1,1104 31.004,1105 14.384,1106 2.43,1107 8.797,1108 26.663,1109 3.858,1110 16.703,1111 20.476,1112 17.441,1113 33.526,1114 15.466,1115 2.203,1116 7.413,1117 28.627,1118 3.624,1119 17.912,1120 22.011,1121 18.783,1122 36.059,1123 16.574,1124 1.971,1125 6.496,1126 30.595,1127 3.113,1128 19.118,1129 23.535,1130 20.124,1131 38.591,1132 17.671,1133 12625,1134 27092,1135 20.978,1136 33.04,1137 52.187,1138 53.99,1139 54.656,1140 51.864,1141 51.567,1142 68.672,1143 9.767,1144 159.778,1145 47.88,1146 5.737,1147 6.716,1148 6.95,1149 5.436,1150 5.449,1151 7.755,1152 5.335,1153 20.677,1154 5.129,1155 22.422,1156 1.535,1157 1.588,1158 1.608,1159 1.525,1160 1.517,1161 2.02,1162 0.287,1163 4.699,1164 1.408,1165 4.112,1166 4.102,1167 4.744,1168 4.094,1169 8.513,1170 4.024,1171 3.925,1172 3.957,1173 3.953,1174 3.84,1175 7.999,1176 3.842,1177 3.846,1178 3.861,1179 3.874,1180 3.719,1181 7.999,1182 3.712,1183 3.597,1184 3.596,1185 3.79,1186 3.492,1187 7.717,1188 3.444,1189 3.425,1190 3.502,1191 3.405,1192 3.167,1193 7.429,1194 3.188,1195 3.301,1196 3.339,1197 3.328,1198 3.007,1199 6.999,1200 3.057,1201 3.057,1202 3.131,1203 3.223,1204 2.904,1205 5.183,1206 2.897,1207 2.917,1208 2.989,1209 2.795,1210 2.735,1211 4.903,1212 2.725,1213 0.144,1214 0.139,1215 0.218,1216 0.128,1217 0.101,1218 4.896,1219 0.14,1220 4.716,1221 0.113,1222 7.406,1223 0.38,1224 4.363,1225 0.092,1226 3.449,1227 4.755,1228 3.825,1229 12.91,1230 3.129,1231 1.996,1232 2.001,1233 2.005,1234 2.074,1235 1.207,1236 2.091,1237 1.894,1238 1.869,1239 1.979,1240 2.005,1241 1.089,1242 1.995,1243 1.728,1244 1.707,1245 1.774,1246 1.888,1247 0.797,1248 1.883,1249 1.437,1250 1.455,1251 1.637,1252 1.674,1253 0.669,1254 1.679,1255 1.336,1256 1.26,1257 1.258,1258 1.577,1259 0.543,1260 1.592,1261 1.087,1262 1.053,1263 1.225,1264 1.406,1265 0.266,1266 1.326,1267 1.013,1268 0.961,1269 1.203,1270 1.26,1271 0.238,1272 1.261,1273 0.862,1274 0.806,1275 1.091,1276 1.16,1277 0.18,1278 1.138,1279 4.234,1281 5.609,1283 7.169,1285 8.808,1287 10.488,1289 1.378,1290 6.048,1291 38.77,1293 5.654,1296 4.441,1301 -4.644,1305 33.104,1306 100.632,1307 193.904,1308 227.904,1309 247.556,1310 247.556,1311 247.556,1312 115.054,1313 7.535,1314 127.07,1315 135.45,1316 18,1317 12.752,1318 4.459,1319 3.7,1320 61.101,1321 134,1322 132,1323 0.221,1324 210.589,1325 374.38,1326 505.598,1327 18947,1328 8.5,1329 23.681,1330 0.74,1331 0.556,1332 21.931,1333 17.808,1334 14.919,1335 0.439,1336 0.313,1337 8.729,1338 13.113,1339 8.428,1340 6.954,1341 14.817,1342 10.629,1343 15.045,1344 0.295,1345 0.166,1346 14.74,1347 8.456,1348 11.403,1349 0.181,1350 0.096,1351 11.938,1352 6.064,1353 8.945,1354 0.115,1355 0.054,1356 10.119,1357 4.237,1358 7.07,1359 0.073,1360 0.029,1361 7.623,1362 2.786,1363 0.345,1364 106.817,1365 0.218,1366 29.661,1367 0.61,1368 170,1369 787.872,1370 253.904,1371 728.806,1372 933.66,1373 664,1374 199,1375 603.138,1376 286,1377 637.533,1378 949.4,1379 594,1380 6.138}
{0 CHEMBL2152144,1 2.004,2 10.862,3 3.194,4 10.2,5 112.85,6 10.281,7 0.581,8 3.913,9 4.002,10 3.867,11 3.534,12 5.148,13 3.51,14 4.389,15 4.504,16 4.201,17 3.899,18 5.877,19 3.867,20 4.617,21 4.75,22 4.39,23 4.051,24 6.01,25 3.989,26 4.672,27 4.806,28 4.379,29 3.987,30 6.23,31 3.946,32 4.624,33 4.776,34 4.235,35 3.943,36 6.006,37 3.895,38 4.571,39 4.708,40 4.268,41 3.921,42 6.112,43 3.884,44 4.559,45 4.729,46 4.107,47 3.887,48 5.92,49 3.806,50 4.435,51 4.611,52 4.151,53 3.783,54 5.68,55 3.691,56 0.193,57 0.69,58 6.095,59 3.744,60 27.069,61 3.349,62 0.497,63 1.025,64 10.814,65 6.183,66 61.397,67 6.295,68 0.624,69 1.214,70 22.994,71 8.71,72 74.538,73 8.217,74 0.906,75 1.217,76 25.932,77 9.001,78 112.863,79 7.823,80 0.752,81 1.166,82 27.194,83 8.606,84 104.334,85 7.331,86 0.771,87 1.094,88 18.677,89 7.642,90 96.218,91 7.09,92 0.717,93 1.021,94 21.495,95 8.055,96 91.088,97 8.467,98 0.519,99 0.917,100 24.066,101 7.653,102 66.503,103 8.527,104 52,105 45,106 0.342,107 0.674,108 0.806,109 0.89,110 0.898,111 0.898,112 3.408,113 1.004,114 -3.25,115 -3.24,116 -3.11,119 40.9,124 1,142 7,143 1,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 4,180 2,183 8,186 2,187 5,189 1,190 2,192 2,195 5,198 1,199 13,201 1,202 2,203 1,204 5,206 1,207 2,212 6,217 3,220 2,222 1,223 2,224 7,227 1,229 4,232 7,234 2,236 2,237 2,240 1,242 2,245 7,247 1,250 2,258 7,262 2,263 4,265 2,266 5,267 2,268 2,270 1,271 2,273 1,275 1327,276 18.842,277 18.842,278 18.842,279 18.842,280 18.842,281 16.221,282 15.848,283 10.77,284 19.441,285 15.187,286 15.187,287 15.187,288 15.187,289 15.187,290 11.126,291 12.67,292 5.008,293 16.23,294 3.455,295 1.509,296 0.737,297 0.244,298 0.199,299 0.199,300 4.081,301 2,304 1,305 1,306 657,307 3.873,311 304.035,318 1.729,319 48.426,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 64.167,331 315,332 4.896,333 4.716,334 7.405,335 4.361,336 3.446,337 4.755,338 1.058,339 12.909,340 3.125,341 4.405,342 3.583,343 6.447,344 4.002,345 3.034,346 4.076,348 9.919,349 2.929,350 4.092,351 2.99,352 6.085,353 3.696,354 2.716,355 3.675,357 8.799,358 2.663,359 3.994,360 2.911,361 5.66,362 3.534,363 2.588,364 3.576,366 7.587,367 2.421,368 3.676,369 2.755,370 5.366,371 3.173,372 2.261,373 3.077,375 6.722,376 2.023,377 3.353,378 2.443,379 4.875,380 2.93,381 1.973,382 2.578,384 5.197,385 1.858,386 3.247,387 2.336,388 4.728,389 2.775,390 1.879,391 2.496,393 5.161,394 1.61,395 2.862,396 1.555,397 4.37,398 2.355,399 1.414,400 2.019,402 4.056,403 1.297,404 2.677,405 1.362,406 4.118,407 2.184,408 1.208,409 1.755,411 3.167,412 1.155,413 2.644,414 1.313,415 3.815,416 2.127,417 1.136,418 1.695,420 2.758,421 1.116,422 2.578,423 1.204,424 3.484,425 2.053,426 1.127,427 1.571,428 2.588,429 1.039,430 1.49,431 1.087,432 3.199,433 1.221,434 0.271,435 0.312,436 0.435,437 0.252,438 1.392,439 0.655,440 2.811,441 0.962,442 0.066,443 0.081,445 0.134,446 0.051,447 1.203,448 0.219,449 2.698,450 0.846,451 -0.119,452 -0.15,454 -0.324,455 -0.114,456 1.094,457 0.193,458 2.6,459 0.605,460 -0.276,461 -0.355,463 -0.635,464 -0.223,465 14.262,466 0.492,467 0.964,468 0.033,469 42.25,470 1.457,471 23.5,472 0.81,473 18.75,474 0.647,475 21.49,476 0.741,477 30.738,478 0.699,479 35.448,480 1.222,481 8.331,482 0.287,483 5.376,484 0.185,485 0.233,486 0.058,487 0.316,493 0.644,494 1.26,495 0.632,496 1.007,497 0.723,498 0.759,499 0.617,500 1.074,501 0.676,502 0.822,503 0.572,504 0.791,505 1.017,506 1.085,507 0.946,508 0.991,509 0.988,510 0.958,511 1.148,512 1.056,513 1.138,514 1.172,515 1.199,516 1.029,517 1.436,518 1.013,519 0.99,520 0.949,521 1.485,522 0.908,523 1.01,524 0.981,525 0.892,526 0.988,527 1.094,528 0.97,529 1.056,530 0.867,531 0.996,532 0.855,533 1.086,534 1,535 0.788,536 1.176,537 0.858,538 1.07,539 0.814,540 1.04,541 8,542 0.132,543 4.444,544 2.75,545 1.947,546 1.583,547 0.731,548 0.556,549 0.534,550 0.191,551 9709,552 38761,553 1.965,554 34.1,556 10,558 1,559 4,564 1.723,565 1.785,566 3.416,567 1.766,569 1,573 88.188,574 2.004,575 3.95,576 4.723,577 5.215,578 5.26,579 5.26,580 2.879,581 4.418,582 4.829,583 3.579,584 1453.24,585 8.428,586 19401.1,588 1,591 240.215,592 1.713,593 4.748,594 0.258,595 0.007,596 0.099,597 0.057,598 0.042,599 0.038,600 0.017,601 0.015,602 0.017,603 0.007,604 0.557,605 0.17,606 1,607 0.998,608 146.38,609 -0.04,610 -0.068,611 0.074,612 -0.032,613 -0.183,614 0.063,615 0.168,616 0.03,617 0.044,618 0.086,619 0.187,620 0.061,621 -0.098,622 -0.037,623 -0.002,624 0.009,625 -0.079,626 -0.042,627 -0.012,628 -0.019,629 -0.107,630 -0.135,631 0.012,632 -0.119,633 -0.343,634 0.003,635 -0.079,636 0.059,637 -0.269,638 0.024,639 0.029,640 0.029,641 -0.01,642 -0.048,643 0.025,644 -0.063,645 -0.079,646 0.06,647 -0.038,648 0.069,649 -0.116,650 -0.008,651 0.063,652 -0.27,653 0.219,654 -0.066,655 -0.05,656 0.022,657 4.94,658 5.834,659 0.621,660 27.182,661 1.034,662 1.123,663 2.019,664 4.078,665 0.735,666 3.466,667 3.829,668 4.06,669 4.29,670 4.489,671 4.554,672 4.605,673 4.727,674 4.804,675 4.796,676 6.51,677 0.71,678 452.35,679 3.466,680 5.03,681 5.878,682 6.772,683 7.638,684 8.536,685 9.408,686 10.308,687 11.184,688 12.086,689 11.4,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 2,731 44,733 21,734 2,735 31,737 46,738 18,739 16,740 5,741 7,742 1,746 3,747 3,748 2,761 17,762 1,766 3,769 1,771 3,775 1,778 1,781 15,782 8,783 4,784 11,785 3,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 2,848 29,849 1,852 1,855 2,869 2,870 6.8,873 3,877 16.25,878 8.102,879 6.319,880 2.26,881 3.317,882 1.455,883 0.998,884 6.291,885 10.615,886 3.784,887 4.449,888 4.975,889 5.535,890 6.066,891 6.327,892 6.684,893 7.064,894 7.419,895 7.699,896 1,897 48,898 11.002,900 5.074,901 8.194,902 19.42,904 15.71,905 2.694,906 78.139,909 1,910 129.482,911 116.625,912 100.884,913 78.297,914 69.458,916 5.807,917 110.818,918 277.237,919 100.884,920 8.396,921 18.011,922 105.038,923 135.91,924 29.055,925 2.328,926 117.711,927 78.297,928 129.482,929 211.702,930 69.458,931 84.105,933 129.482,934 69.458,937 32.572,938 129.154,939 134.081,941 129.482,942 170.342,943 194.923,945 5.807,946 129.482,947 27.04,948 83.778,949 34.416,950 214.223,951 129.482,952 170.342,953 194.923,955 0.595,956 0.346,957 0.177,958 0.094,959 21,960 11,961 0.109,962 5,964 1,965 3.839,966 254.391,968 18,969 138.881,973 1,974 21.335,975 8.551,976 4.793,978 170.342,979 11.921,980 8.144,984 1.04,986 67.313,987 494.747,988 43,991 -4.023,993 37.566,997 -0.513,999 45.516,1000 49.419,1001 0.367,1002 0.724,1003 0.865,1004 0.955,1005 0.964,1006 0.964,1007 5.034,1008 1.414,1009 5.922,1010 5.161,1011 4.511,1012 5.136,1013 1.176,1014 6.79,1015 4.383,1016 6.302,1017 1.208,1018 7.532,1019 4.056,1020 4.369,1021 5.263,1023 8.003,1024 4.129,1025 7.666,1026 1.136,1027 9.252,1028 3.167,1029 6.213,1030 7.472,1031 1.255,1032 11.047,1033 5.962,1034 9.069,1035 1.127,1036 11.039,1037 2.758,1038 6.836,1039 8.364,1041 13.077,1042 6.469,1043 10.504,1044 0.271,1045 12.87,1046 2.588,1047 8.239,1048 10.133,1049 1.338,1050 15.745,1051 7.847,1052 11.964,1053 0.066,1054 14.732,1055 0.435,1056 9.192,1057 11.364,1059 18.093,1060 8.683,1061 13.442,1062 -0.119,1063 16.62,1064 0.134,1065 10.449,1066 12.978,1067 1.422,1068 20.663,1069 9.891,1070 3.446,1071 -0.276,1072 18.527,1073 -0.324,1074 11.545,1075 14.368,1077 23.135,1078 10.876,1079 3.034,1080 12.909,1081 20.451,1082 -0.635,1083 12.759,1084 15.927,1085 1.51,1086 25.683,1087 12.018,1088 2.716,1089 9.919,1090 22.387,1091 4.755,1092 13.92,1093 17.394,1095 28.203,1096 13.071,1097 2.588,1098 8.799,1099 24.334,1100 4.076,1101 15.126,1102 18.937,1103 1.599,1104 30.751,1105 14.191,1106 2.261,1107 7.587,1108 26.289,1109 3.675,1110 16.317,1111 20.443,1113 33.291,1114 15.275,1115 1.973,1116 6.722,1117 28.252,1118 3.576,1119 17.527,1120 21.984,1121 1.69,1122 35.842,1123 16.39,1124 1.879,1125 5.197,1126 30.221,1127 3.077,1128 18.734,1129 23.512,1131 38.391,1132 17.491,1133 9649,1134 19451,1135 19.592,1136 32.324,1137 46.55,1138 49.374,1139 49.429,1140 46.506,1141 46.238,1142 63.332,1143 2.117,1144 138.865,1145 43.081,1146 5.729,1147 6.716,1148 6.96,1149 5.433,1150 5.446,1151 7.755,1152 2.117,1153 20.672,1154 5.125,1155 18.351,1156 1.502,1157 1.593,1158 1.594,1159 1.5,1160 1.492,1161 2.043,1162 0.068,1163 4.48,1164 1.39,1165 4.109,1166 4.097,1167 4.745,1168 4.093,1169 7.717,1170 4.022,1171 3.908,1172 3.938,1173 3.978,1174 3.828,1175 7.429,1176 3.823,1177 3.827,1178 3.843,1179 3.949,1180 3.716,1181 6.999,1182 3.707,1183 3.585,1184 3.581,1185 3.794,1186 3.49,1187 5.183,1188 3.437,1189 3.423,1190 3.495,1191 3.405,1192 3.167,1193 4.946,1194 3.187,1195 3.058,1196 3.132,1197 3.301,1198 2.905,1199 4.898,1200 2.899,1201 2.917,1202 2.989,1203 3.223,1204 2.808,1205 4.644,1206 2.781,1207 2.888,1208 2.926,1209 2.795,1210 2.735,1211 4.356,1212 2.724,1213 0.158,1214 0.152,1215 0.239,1216 0.141,1217 0.111,1218 4.896,1219 0.153,1220 4.716,1221 0.034,1222 7.405,1223 0.416,1224 4.361,1225 0.101,1226 3.446,1227 4.755,1228 1.058,1229 12.909,1230 3.125,1231 1.994,1232 2,1233 1.994,1234 2.07,1235 1.205,1236 2.088,1237 1.874,1238 1.85,1239 1.959,1240 1.979,1241 1.054,1242 1.978,1243 1.726,1244 1.704,1245 1.774,1246 1.875,1247 0.796,1248 1.876,1249 1.431,1250 1.45,1251 1.637,1252 1.671,1253 0.667,1254 1.676,1255 1.334,1256 1.26,1257 1.248,1258 1.549,1259 0.537,1260 1.583,1261 1.014,1262 0.962,1263 1.223,1264 1.261,1265 0.238,1266 1.261,1267 0.871,1268 0.824,1269 1.106,1270 1.16,1271 0.189,1272 1.138,1273 0.848,1274 0.803,1275 1.063,1276 1.044,1277 0.134,1278 1.078,1279 4.143,1281 5.493,1283 7.036,1285 8.665,1287 10.337,1289 1.435,1290 12.032,1293 5.693,1296 4.844,1305 31.254,1306 88.188,1307 173.809,1308 207.809,1309 229.46,1310 231.46,1311 231.46,1312 79.74,1313 7.298,1314 127.07,1315 135.45,1316 18,1317 12.612,1318 4.459,1319 3.7,1320 52.324,1321 113,1322 108,1323 0.228,1324 205.735,1325 354.08,1326 493.754,1327 13796,1328 4.5,1329 21.181,1330 0.73,1331 0.597,1332 22.431,1333 17.308,1334 13.708,1335 0.442,1336 0.335,1337 8.207,1338 11.889,1339 7.822,1340 6.492,1341 15.106,1342 10.379,1343 13.087,1344 0.291,1345 0.185,1346 15.148,1347 8.324,1348 10.44,1349 0.183,1350 0.104,1351 12.2,1352 5.934,1353 8.427,1354 0.117,1355 0.059,1356 10.388,1357 4.22,1358 6.423,1359 0.073,1360 0.031,1361 7.804,1362 2.76,1363 0.355,1364 100.474,1365 0.226,1366 27.287,1367 0.637,1368 152,1369 537.742,1370 234.406,1371 602.388,1372 784.98,1373 550,1374 178,1375 496,1376 264.282,1377 559.225,1378 814.07,1379 522,1380 6.759}
{0 CHEMBL2152145,1 2.004,2 10.828,3 3.194,4 10.2,5 112.85,6 10.281,7 0.581,8 3.913,9 4.002,10 3.867,11 3.534,12 5.149,13 3.51,14 4.389,15 4.504,16 4.201,17 3.899,18 5.872,19 3.867,20 4.618,21 4.75,22 4.427,23 4.055,24 6.024,25 3.996,26 4.678,27 4.805,28 4.437,29 4.015,30 6.224,31 3.961,32 4.629,33 4.775,34 4.272,35 3.941,36 6.115,37 3.912,38 4.566,39 4.709,40 4.199,41 3.923,42 6.022,43 3.877,44 4.567,45 4.727,46 4.241,47 3.915,48 5.965,49 3.831,50 4.43,51 4.611,52 4.008,53 3.758,54 5.634,55 3.668,56 0.193,57 0.69,58 6.095,59 3.744,60 27.18,61 3.349,62 0.497,63 1.025,64 10.814,65 6.183,66 61.334,67 6.295,68 0.629,69 1.209,70 22.383,71 8.673,72 74.619,73 8.243,74 0.92,75 1.205,76 29.966,77 9.228,78 118.173,79 7.735,80 0.819,81 1.165,82 25.222,83 8.54,84 108.05,85 7.372,86 0.695,87 1.097,88 17.607,89 7.598,90 88.787,91 7.072,92 0.762,93 1.015,94 25.291,95 8.184,96 93.153,97 8.413,98 0.487,99 0.919,100 21.292,101 7.578,102 64.898,103 8.552,104 52,105 45,106 0.342,107 0.674,108 0.798,109 0.882,110 0.898,111 0.898,112 3.408,113 1.005,114 -3.25,115 -3.24,116 -3.11,119 40.9,124 1,142 7,143 1,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 6,174 1,175 1,177 1,178 4,180 1,183 6,186 2,187 5,189 1,190 2,192 4,195 6,198 1,199 11,201 1,202 2,203 1,204 4,206 1,207 2,212 10,217 3,220 1,222 1,223 2,224 5,227 1,229 4,232 6,234 2,236 2,237 2,240 1,242 2,245 11,247 1,250 1,258 6,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1312,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.246,282 14.18,283 10.795,284 19.466,285 15.165,286 15.165,287 15.165,288 15.165,289 15.165,290 11.099,291 9.964,292 4.992,293 16.18,294 3.455,295 1.509,296 0.782,297 0.29,298 0.199,299 0.199,300 4.081,301 2,304 1,305 1,306 655,307 3.873,311 302.643,318 1.696,319 48.792,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 64.167,331 314,332 4.898,333 4.716,334 7.408,335 4.365,336 3.45,337 4.756,338 1.058,339 12.922,340 3.128,341 4.406,342 3.583,343 6.447,344 4.002,345 3.035,346 4.076,348 9.92,349 2.93,350 4.153,351 3.146,352 6.105,353 3.726,354 2.777,355 3.768,357 8.856,358 2.668,359 4.042,360 2.912,361 6.012,362 3.612,363 2.652,364 3.602,366 8.483,367 2.472,368 3.672,369 2.75,370 5.504,371 3.164,372 2.248,373 3.074,375 6.835,376 2.02,377 3.352,378 2.443,379 4.875,380 2.928,381 1.971,382 2.577,384 5.189,385 1.856,386 2.891,387 1.927,388 4.371,389 2.429,390 1.456,391 2.064,393 4.056,394 1.418,395 2.862,396 1.566,397 4.302,398 2.354,399 1.414,400 2.019,402 3.808,403 1.296,404 2.832,405 1.5,406 4.014,407 2.336,408 1.414,409 1.959,411 3.128,412 1.228,413 2.654,414 1.316,415 3.815,416 2.134,417 1.144,418 1.705,420 2.946,421 1.124,422 2.578,423 1.249,424 3.599,425 2.053,426 1.127,427 1.571,428 2.758,429 1.039,430 1.49,431 1.087,432 3.192,433 1.221,434 0.272,435 0.312,436 0.451,437 0.252,438 1.427,439 0.664,440 2.812,441 1.045,442 0.157,443 0.19,445 0.349,446 0.124,447 1.388,448 0.492,449 2.7,450 0.945,451 0.04,452 0.05,454 0.082,455 0.032,456 1.094,457 0.181,458 2.6,459 0.61,460 -0.265,461 -0.336,463 -0.6,464 -0.213,465 14.262,466 0.492,467 0.948,468 0.033,469 42.25,470 1.457,471 23.5,472 0.81,473 18.75,474 0.647,475 21.658,476 0.747,477 30.738,478 0.699,479 35.522,480 1.225,481 8.346,482 0.288,483 5.378,484 0.185,485 0.233,486 0.058,487 0.316,493 0.644,494 1.26,495 0.632,496 1.007,497 0.722,498 0.759,499 0.617,500 1.074,501 0.676,502 0.822,503 0.581,504 0.791,505 0.962,506 1.089,507 0.882,508 0.971,509 0.959,510 0.921,511 1.247,512 1.042,513 1.216,514 1.159,515 1.277,516 1.058,517 1.302,518 1.018,519 1.026,520 1.026,521 1.32,522 0.885,523 1.156,524 0.969,525 0.901,526 0.909,527 1.23,528 0.95,529 1.056,530 0.867,531 0.996,532 0.855,533 1.083,534 1,535 0.835,536 1.177,537 0.956,538 1.112,539 0.84,540 1.077,541 7.5,542 0.124,543 4.889,544 2.625,545 2.107,546 1.528,547 0.771,548 0.516,549 0.583,550 0.156,551 9613,552 38009,553 1.965,554 34.1,556 10,558 1,559 4,564 1.723,565 1.785,566 3.399,567 1.766,569 1,573 88.188,574 2.004,575 3.95,576 4.677,577 5.17,578 5.26,579 5.26,580 2.84,581 4.254,582 4.83,583 3.558,584 1444.47,585 8.431,586 19222.2,588 1,591 240.215,592 1.713,593 4.748,594 0.242,595 0.007,596 0.109,597 0.054,598 0.046,599 0.035,600 0.019,601 0.014,602 0.019,603 0.006,604 0.548,605 0.17,606 1,607 0.998,608 146.118,609 -0.04,610 -0.068,611 0.074,612 -0.032,613 -0.182,614 0.063,615 0.168,616 0.03,617 0.044,618 0.086,619 0.178,620 0.061,621 -0.042,622 -0.041,623 0.063,624 0.03,625 -0.048,626 -0.003,627 -0.079,628 -0.01,629 -0.109,630 -0.109,631 -0.056,632 -0.154,633 -0.188,634 -0.004,635 -0.075,636 -0.014,637 -0.095,638 0.045,639 -0.139,640 0.043,641 -0.062,642 0.026,643 -0.12,644 -0.04,645 -0.041,646 0.055,647 0.045,648 0.083,649 -0.1,650 -0.014,651 -0.006,652 -0.268,653 0.072,654 -0.115,655 -0.084,656 -0.012,657 4.971,658 5.859,659 0.621,660 26.611,661 1.034,662 1.123,663 2.019,664 4.078,665 0.735,666 3.466,667 3.829,668 4.078,669 4.29,670 4.511,671 4.533,672 4.615,673 4.71,674 4.82,675 4.796,676 6.438,677 0.71,678 452.35,679 3.466,680 5.03,681 5.883,682 6.777,683 7.649,684 8.545,685 9.425,686 10.322,687 11.205,688 12.103,689 11.4,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 2,731 44,733 21,734 2,735 31,737 46,738 18,739 16,740 5,741 7,742 1,746 3,747 3,748 2,761 17,762 1,766 3,769 1,771 3,775 1,778 1,781 15,782 8,783 4,784 11,785 3,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 2,848 29,849 1,852 1,855 2,869 2,870 6.8,873 3,877 16.25,878 8.102,879 6.347,880 2.267,881 3.346,882 1.459,883 0.998,884 6.291,885 10.644,886 3.784,887 4.449,888 4.985,889 5.532,890 6.078,891 6.306,892 6.69,893 7.048,894 7.436,895 7.699,896 1,897 49,898 11.015,900 5.094,901 8.194,902 19.42,904 15.714,905 2.694,906 78.139,909 1,910 129.482,911 116.625,912 100.884,913 78.297,914 69.458,916 5.807,917 110.818,918 277.237,919 100.884,920 8.396,921 18.011,922 105.038,923 135.91,924 29.055,925 2.328,926 117.711,927 78.297,928 129.482,929 211.702,930 69.458,931 84.105,933 129.482,934 69.458,937 32.572,938 129.154,939 134.081,941 129.482,942 170.342,943 194.923,945 5.807,946 129.482,947 27.04,948 83.778,949 34.416,950 214.223,951 129.482,952 170.342,953 194.923,955 0.595,956 0.353,957 0.178,958 0.097,959 21,960 11,961 0.109,962 5,964 1,965 3.823,966 255.505,968 18,969 138.881,973 1,974 21.335,975 8.551,976 4.622,978 170.342,979 12.044,980 8.142,984 0.789,986 67.313,987 494.747,988 43,991 -4.055,993 37.619,997 -0.515,999 45.516,1000 49.419,1001 0.367,1002 0.724,1003 0.857,1004 0.947,1005 0.964,1006 0.964,1007 5.034,1008 1.414,1009 5.927,1010 4.056,1011 4.511,1012 5.136,1013 1.176,1014 6.804,1015 4.383,1016 6.302,1017 1.414,1018 7.545,1019 3.808,1020 4.369,1021 5.263,1023 8.032,1024 4.129,1025 7.668,1026 1.144,1027 9.274,1028 3.128,1029 6.221,1030 7.477,1031 1.255,1032 11.081,1033 5.966,1034 9.074,1035 1.127,1036 11.069,1037 2.946,1038 6.858,1039 8.379,1041 13.114,1042 6.48,1043 10.514,1044 0.272,1045 12.906,1046 2.758,1047 8.261,1048 10.148,1049 1.338,1050 15.779,1051 7.857,1052 11.977,1053 0.157,1054 14.774,1055 0.451,1056 9.223,1057 11.385,1059 18.123,1060 8.699,1061 13.459,1062 0.04,1063 16.664,1064 0.349,1065 10.479,1066 12.997,1067 1.422,1068 20.689,1069 9.906,1070 3.45,1071 -0.265,1072 18.572,1073 0.082,1074 11.579,1075 14.39,1077 23.156,1078 10.892,1079 3.035,1080 12.922,1081 20.494,1082 -0.6,1083 12.792,1084 15.946,1085 1.51,1086 25.703,1087 12.035,1088 2.777,1089 9.92,1090 22.428,1091 4.756,1092 13.953,1093 17.414,1095 28.221,1096 13.088,1097 2.652,1098 8.856,1099 24.373,1100 4.076,1101 15.158,1102 18.954,1103 1.599,1104 30.768,1105 14.207,1106 2.248,1107 8.483,1108 26.325,1109 3.768,1110 16.348,1111 20.46,1113 33.307,1114 15.292,1115 1.971,1116 6.835,1117 28.285,1118 3.602,1119 17.557,1120 21.999,1121 1.69,1122 35.858,1123 16.406,1124 1.456,1125 5.189,1126 30.251,1127 3.074,1128 18.763,1129 23.526,1131 38.407,1132 17.507,1133 9558,1134 19182,1135 19.592,1136 32.324,1137 46.453,1138 49.607,1139 49.61,1140 46.525,1141 46.317,1142 63.446,1143 2.117,1144 139.564,1145 43.172,1146 5.735,1147 6.716,1148 7.095,1149 5.437,1150 5.45,1151 7.756,1152 2.117,1153 20.707,1154 5.128,1155 18.252,1156 1.498,1157 1.6,1158 1.6,1159 1.501,1160 1.494,1161 2.047,1162 0.068,1163 4.502,1164 1.393,1165 4.109,1166 4.097,1167 4.745,1168 4.094,1169 7.717,1170 4.022,1171 3.909,1172 3.938,1173 3.981,1174 3.828,1175 7.429,1176 3.824,1177 3.826,1178 3.843,1179 3.945,1180 3.715,1181 6.999,1182 3.707,1183 3.584,1184 3.581,1185 3.793,1186 3.488,1187 5.183,1188 3.435,1189 3.423,1190 3.495,1191 3.405,1192 3.166,1193 4.942,1194 3.186,1195 3.058,1196 3.132,1197 3.292,1198 2.905,1199 4.897,1200 2.898,1201 2.917,1202 2.989,1203 3.223,1204 2.809,1205 4.644,1206 2.781,1207 2.888,1208 2.926,1209 2.795,1210 2.735,1211 4.346,1212 2.724,1213 0.158,1214 0.152,1215 0.239,1216 0.141,1217 0.111,1218 4.898,1219 0.153,1220 4.716,1221 0.034,1222 7.408,1223 0.417,1224 4.365,1225 0.101,1226 3.45,1227 4.756,1228 1.058,1229 12.922,1230 3.128,1231 1.994,1232 2,1233 1.994,1234 2.069,1235 1.205,1236 2.087,1237 1.874,1238 1.85,1239 1.961,1240 1.978,1241 1.054,1242 1.977,1243 1.726,1244 1.704,1245 1.774,1246 1.877,1247 0.796,1248 1.877,1249 1.432,1250 1.449,1251 1.637,1252 1.671,1253 0.668,1254 1.677,1255 1.334,1256 1.26,1257 1.251,1258 1.553,1259 0.539,1260 1.585,1261 1.014,1262 0.962,1263 1.223,1264 1.261,1265 0.238,1266 1.262,1267 0.872,1268 0.824,1269 1.118,1270 1.16,1271 0.192,1272 1.138,1273 0.847,1274 0.803,1275 1.063,1276 1.044,1277 0.128,1278 1.08,1279 4.143,1281 5.493,1283 7.041,1285 8.676,1287 10.353,1289 1.434,1290 12.164,1293 5.693,1296 4.823,1305 31.254,1306 88.188,1307 173.809,1308 205.809,1309 227.46,1310 231.46,1311 231.46,1312 80.859,1313 7.298,1314 127.07,1315 135.45,1316 18,1317 12.63,1318 4.459,1319 3.7,1320 52.302,1321 112,1322 108,1323 0.231,1324 205.735,1325 354.08,1326 493.754,1327 13796,1328 4.5,1329 21.181,1330 0.73,1331 0.597,1332 22.431,1333 17.308,1334 13.724,1335 0.443,1336 0.335,1337 8.213,1338 11.926,1339 7.83,1340 6.5,1341 15.123,1342 10.385,1343 12.971,1344 0.288,1345 0.184,1346 14.995,1347 8.264,1348 10.658,1349 0.184,1350 0.104,1351 12.522,1352 6.054,1353 8.31,1354 0.115,1355 0.059,1356 10.301,1357 4.281,1358 6.669,1359 0.074,1360 0.032,1361 8.329,1362 2.888,1363 0.358,1364 100.575,1365 0.226,1366 27.231,1367 0.647,1368 152,1369 537.742,1370 234.406,1371 602.219,1372 785.58,1373 550,1374 179,1375 497,1376 267.725,1377 560.022,1378 817.41,1379 523,1380 6.322}
{0 CHEMBL2152146,1 2.004,2 11.414,3 3.194,4 10.2,5 112.85,6 10.281,7 0.581,8 3.913,9 4.002,10 3.867,11 3.534,12 5.148,13 3.51,14 4.389,15 4.504,16 4.201,17 3.899,18 5.877,19 3.867,20 4.617,21 4.75,22 4.39,23 4.051,24 6.014,25 3.989,26 4.671,27 4.806,28 4.339,29 3.983,30 6.219,31 3.938,32 4.619,33 4.777,34 4.163,35 3.913,36 6.014,37 3.879,38 4.566,39 4.708,40 4.231,41 3.923,42 6.003,43 3.867,44 4.565,45 4.728,46 4.183,47 3.886,48 6.02,49 3.814,50 4.427,51 4.612,52 4.004,53 3.751,54 5.62,55 3.662,56 0.193,57 0.69,58 6.095,59 3.744,60 27.069,61 3.349,62 0.497,63 1.025,64 10.814,65 6.183,66 61.286,67 6.295,68 0.624,69 1.214,70 22.994,71 8.71,72 74.601,73 8.217,74 0.901,75 1.221,76 26.542,77 9.038,78 112.783,79 7.797,80 0.738,81 1.177,82 23.16,83 8.38,84 99.025,85 7.419,86 0.704,87 1.094,88 20.649,89 7.708,90 92.502,91 7.049,92 0.794,93 1.019,94 22.565,95 8.1,96 98.518,97 8.486,98 0.474,99 0.923,100 20.27,101 7.524,102 64.438,103 8.582,104 52,105 45,106 0.342,107 0.674,108 0.788,109 0.856,110 0.867,111 0.867,112 3.408,113 1.004,114 -3.25,115 -3.24,116 -3.11,119 40.9,124 1,142 7,143 1,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 4,180 2,183 7,186 2,187 5,189 1,190 2,192 3,195 7,198 1,199 13,201 1,202 2,203 1,204 3,206 1,207 1,212 8,217 4,220 2,222 1,223 2,224 3,227 1,229 4,232 8,234 2,236 2,237 4,240 1,242 2,245 8,247 1,250 2,258 3,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 3,273 1,275 1342,276 18.842,277 18.842,278 18.842,279 18.842,280 18.842,281 16.221,282 15.848,283 10.737,284 19.441,285 15.17,286 15.17,287 15.17,288 15.17,289 15.17,290 11.12,291 11.404,292 4.993,293 16.223,294 3.455,295 1.509,296 0.845,297 0.443,298 0.381,299 0.381,300 4.081,301 2,304 1,305 1,306 691,307 3.873,311 305.673,318 1.807,319 48.196,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 64.167,331 331,332 4.896,333 4.716,334 7.405,335 4.36,336 3.446,337 4.755,338 1.058,339 12.909,340 3.125,341 4.405,342 3.583,343 6.447,344 4.001,345 3.034,346 4.076,348 9.919,349 2.929,350 4.087,351 2.96,352 6.085,353 3.693,354 2.71,355 3.661,357 8.797,358 2.663,359 3.972,360 2.91,361 5.638,362 3.509,363 2.562,364 3.56,366 7.424,367 2.409,368 3.678,369 2.758,370 5.295,371 3.18,372 2.27,373 3.079,375 6.597,376 2.025,377 3.367,378 2.444,379 4.876,380 2.935,381 1.993,382 2.65,384 5.564,385 1.86,386 3.346,387 2.419,388 4.864,389 2.876,390 1.964,391 2.575,393 5.188,394 1.692,395 2.862,396 1.554,397 4.37,398 2.355,399 1.414,400 2.019,402 4.056,403 1.298,404 2.66,405 1.331,406 4.127,407 2.145,408 1.16,409 1.715,411 3.169,412 1.132,413 2.578,414 1.308,415 3.815,416 2.053,417 1.127,418 1.571,420 2.758,421 1.039,422 2.5,423 1.087,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 1.49,431 1,432 3.221,433 1.221,434 0.272,435 0.312,436 0.456,437 0.252,438 1.428,439 0.703,440 2.813,441 1.046,442 0.162,443 0.194,445 0.361,446 0.126,447 1.388,448 0.558,449 2.702,450 0.945,451 0.04,452 0.05,454 0.082,455 0.032,456 1.094,457 0.181,458 2.6,459 0.61,460 -0.265,461 -0.336,463 -0.599,464 -0.213,465 14.262,466 0.492,467 0.964,468 0.033,469 42.25,470 1.457,471 23.5,472 0.81,473 18.75,474 0.647,475 21.365,476 0.737,477 30.738,478 0.699,479 35.39,480 1.22,481 8.331,482 0.287,483 5.376,484 0.185,485 0.233,486 0.058,487 0.316,493 0.644,494 1.26,495 0.632,496 1.007,497 0.723,498 0.759,499 0.617,500 1.074,501 0.676,502 0.822,503 0.573,504 0.791,505 1.017,506 1.085,507 0.946,508 0.991,509 0.981,510 0.958,511 1.201,512 1.052,513 1.2,514 1.192,515 1.228,516 1.066,517 1.334,518 1.027,519 0.91,520 0.962,521 1.405,522 0.878,523 1.152,524 0.975,525 0.854,526 0.907,527 1.268,528 0.994,529 0.911,530 0.878,531 0.987,532 0.933,533 0.951,534 1.02,535 0.788,536 1.176,537 0.858,538 1.07,539 0.817,540 1.04,541 8,542 0.161,543 4.667,544 2.5,545 2.027,546 1.486,547 0.811,548 0.549,549 0.578,550 0.177,551 9805,552 39513,553 1.965,554 34.1,556 10,558 1,559 4,564 1.722,565 1.785,566 3.461,567 1.766,569 1,573 88.188,574 2.004,575 3.95,576 4.615,577 5.016,578 5.079,579 5.079,580 2.918,581 4.237,582 4.828,583 3.61,584 1465.65,585 8.424,586 19576.4,588 1,591 240.215,592 1.713,593 4.748,594 0.258,595 0.008,596 0.104,597 0.052,598 0.045,599 0.035,600 0.02,601 0.015,602 0.019,603 0.006,604 0.563,605 0.17,606 1,607 0.998,608 146.63,609 -0.04,610 -0.068,611 0.074,612 -0.032,613 -0.183,614 0.063,615 0.168,616 0.03,617 0.044,618 0.086,619 0.187,620 0.061,621 -0.098,622 -0.037,623 -0.002,624 0.009,625 -0.072,626 -0.042,627 -0.066,628 -0.015,629 -0.17,630 -0.155,631 -0.018,632 -0.156,633 -0.274,634 -0.006,635 -0.076,636 0.032,637 -0.2,638 0.06,639 -0.134,640 0.037,641 -0.014,642 0.028,643 -0.159,644 -0.086,645 0.088,646 0.046,647 0.013,648 -0.004,649 0.028,650 -0.031,651 0.022,652 -0.264,653 0.126,654 -0.08,655 -0.068,656 0.028,657 4.92,658 5.818,659 0.621,660 27.753,661 1.034,662 1.123,663 2.019,664 4.078,665 0.735,666 3.466,667 3.829,668 4.06,669 4.277,670 4.5,671 4.533,672 4.635,673 4.71,674 4.812,675 4.787,676 6.59,677 0.71,678 452.35,679 3.466,680 5.03,681 5.878,682 6.77,683 7.637,684 8.531,685 9.406,686 10.302,687 11.181,688 12.078,689 11.4,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 2,731 44,733 21,734 2,735 31,737 46,738 18,739 16,740 5,741 7,742 1,746 3,747 3,748 2,761 17,762 1,766 3,769 1,771 3,775 1,778 1,781 15,782 8,783 4,784 11,785 3,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 2,848 29,849 1,852 1,855 2,869 2,870 6.8,873 3,877 16.25,878 8.102,879 6.319,880 2.26,881 3.308,882 1.453,883 0.998,884 6.291,885 10.606,886 3.784,887 4.449,888 4.975,889 5.526,890 6.076,891 6.31,892 6.711,893 7.048,894 7.422,895 7.695,896 0.875,897 48,898 10.994,900 5.062,901 8.194,902 19.42,904 15.71,905 2.694,906 78.139,909 1,910 129.482,911 116.625,912 100.884,913 78.297,914 69.458,916 5.807,917 110.818,918 277.237,919 100.884,920 8.396,921 18.011,922 105.038,923 135.91,924 29.055,925 2.328,926 117.711,927 78.297,928 129.482,929 211.702,930 69.458,931 84.105,933 129.482,934 69.458,937 32.572,938 129.154,939 134.081,941 129.482,942 170.342,943 194.923,945 5.807,946 129.482,947 27.04,948 83.778,949 34.416,950 214.223,951 129.482,952 170.342,953 194.923,955 0.596,956 0.347,957 0.174,958 0.096,959 21,960 11,961 0.109,962 5,964 1,965 3.852,966 253.631,968 18,969 134.881,973 1,974 21.335,975 8.551,976 4.793,978 170.342,979 11.839,980 8.146,984 1.202,986 67.313,987 494.747,988 43,991 -4.004,993 37.531,997 -0.511,999 45.516,1000 49.419,1001 0.367,1002 0.724,1003 0.845,1004 0.919,1005 0.93,1006 0.93,1007 5.034,1008 1.414,1009 5.922,1010 5.188,1011 4.511,1012 5.136,1013 1.176,1014 6.788,1015 4.383,1016 6.302,1017 1.16,1018 7.532,1019 4.056,1020 4.369,1021 5.263,1023 8.003,1024 4.129,1025 7.666,1026 1.127,1027 9.252,1028 3.169,1029 6.213,1030 7.472,1031 1.255,1032 11.042,1033 5.962,1034 9.069,1035 1,1036 11.038,1037 2.758,1038 6.836,1039 8.364,1041 13.074,1042 6.469,1043 10.504,1044 0.272,1045 12.868,1046 2.275,1047 8.238,1048 10.132,1049 1.338,1050 15.74,1051 7.846,1052 11.963,1053 0.162,1054 14.73,1055 0.456,1056 9.189,1057 11.361,1059 18.091,1060 8.682,1061 13.441,1062 0.04,1063 16.618,1064 0.361,1065 10.446,1066 12.975,1067 1.422,1068 20.66,1069 9.889,1070 3.446,1071 -0.265,1072 18.525,1073 0.082,1074 11.541,1075 14.364,1077 23.133,1078 10.873,1079 3.034,1080 12.909,1081 20.448,1082 -0.599,1083 12.755,1084 15.923,1085 1.51,1086 25.682,1087 12.016,1088 2.71,1089 9.919,1090 22.384,1091 4.755,1092 13.915,1093 17.391,1095 28.202,1096 13.068,1097 2.562,1098 8.797,1099 24.331,1100 4.076,1101 15.122,1102 18.934,1103 1.599,1104 30.75,1105 14.188,1106 2.27,1107 7.424,1108 26.287,1109 3.661,1110 16.313,1111 20.441,1113 33.291,1114 15.273,1115 1.993,1116 6.597,1117 28.25,1118 3.56,1119 17.523,1120 21.981,1121 1.69,1122 35.841,1123 16.387,1124 1.964,1125 5.564,1126 30.22,1127 3.079,1128 18.73,1129 23.509,1131 38.39,1132 17.488,1133 9741,1134 19721,1135 19.592,1136 32.324,1137 46.475,1138 49.563,1139 49.439,1140 46.536,1141 46.307,1142 63.43,1143 2.117,1144 139.109,1145 43.161,1146 5.728,1147 6.716,1148 6.949,1149 5.432,1150 5.446,1151 7.755,1152 2.117,1153 20.668,1154 5.125,1155 18.437,1156 1.499,1157 1.599,1158 1.595,1159 1.501,1160 1.494,1161 2.046,1162 0.068,1163 4.487,1164 1.392,1165 4.109,1166 4.097,1167 4.744,1168 4.093,1169 7.717,1170 4.021,1171 3.908,1172 3.938,1173 3.978,1174 3.828,1175 7.429,1176 3.823,1177 3.827,1178 3.843,1179 3.95,1180 3.716,1181 6.999,1182 3.708,1183 3.586,1184 3.581,1185 3.795,1186 3.49,1187 5.183,1188 3.438,1189 3.423,1190 3.495,1191 3.405,1192 3.167,1193 4.946,1194 3.187,1195 3.058,1196 3.132,1197 3.306,1198 2.905,1199 4.899,1200 2.899,1201 2.917,1202 2.989,1203 3.222,1204 2.8,1205 4.644,1206 2.781,1207 2.892,1208 2.925,1209 2.794,1210 2.735,1211 4.361,1212 2.715,1213 0.158,1214 0.152,1215 0.239,1216 0.141,1217 0.111,1218 4.896,1219 0.153,1220 4.716,1221 0.034,1222 7.405,1223 0.416,1224 4.36,1225 0.101,1226 3.446,1227 4.755,1228 1.058,1229 12.909,1230 3.125,1231 1.994,1232 2,1233 1.994,1234 2.07,1235 1.205,1236 2.088,1237 1.874,1238 1.85,1239 1.958,1240 1.98,1241 1.054,1242 1.978,1243 1.726,1244 1.704,1245 1.774,1246 1.875,1247 0.795,1248 1.875,1249 1.43,1250 1.45,1251 1.637,1252 1.67,1253 0.667,1254 1.675,1255 1.333,1256 1.26,1257 1.232,1258 1.547,1259 0.534,1260 1.581,1261 1.014,1262 0.962,1263 1.204,1264 1.261,1265 0.238,1266 1.261,1267 0.886,1268 0.821,1269 1.181,1270 1.16,1271 0.218,1272 1.138,1273 0.839,1274 0.806,1275 1.063,1276 1.062,1277 0.118,1278 1.107,1279 4.143,1281 5.493,1283 7.036,1285 8.663,1287 10.334,1289 1.436,1290 11.95,1293 5.693,1296 4.857,1305 31.254,1306 88.188,1307 173.809,1308 203.054,1309 220.705,1310 223.46,1311 223.46,1312 79.342,1313 7.298,1314 127.07,1315 135.45,1316 18,1317 12.606,1318 4.459,1319 3.7,1320 52.358,1321 114,1322 125,1323 0.226,1324 205.735,1325 354.08,1326 493.754,1327 13796,1328 4.5,1329 21.181,1330 0.73,1331 0.597,1332 22.431,1333 17.308,1334 13.708,1335 0.442,1336 0.335,1337 8.207,1338 11.889,1339 7.822,1340 6.491,1341 15.106,1342 10.379,1343 13.075,1344 0.291,1345 0.185,1346 15.136,1347 8.32,1348 10.53,1349 0.185,1350 0.105,1351 12.317,1352 5.971,1353 8.215,1354 0.116,1355 0.058,1356 10.084,1357 4.131,1358 6.611,1359 0.074,1360 0.031,1361 8.022,1362 2.765,1363 0.352,1364 100.474,1365 0.226,1366 27.35,1367 0.628,1368 152,1369 537.742,1370 234.406,1371 602.323,1372 784.96,1373 550,1374 178,1375 496,1376 264.282,1377 559.089,1378 813.78,1379 522,1380 6.848}
{0 CHEMBL2152147,1 1.927,2 10.893,3 2.529,4 6.397,5 108.045,6 9.498,7 0.6,8 3.907,9 4.003,10 3.805,11 3.508,12 5.127,13 3.485,14 4.381,15 4.505,16 4.111,17 3.864,18 5.85,19 3.831,20 4.605,21 4.752,22 4.204,23 3.989,24 5.981,25 3.935,26 4.652,27 4.809,28 4.18,29 3.933,30 6.102,31 3.885,32 4.615,33 4.777,34 4.145,35 3.902,36 5.98,37 3.856,38 4.557,39 4.71,40 4.085,41 3.858,42 6.057,43 3.818,44 4.535,45 4.733,46 3.873,47 3.8,48 5.831,49 3.719,50 4.415,51 4.614,52 3.833,53 3.688,54 5.581,55 3.597,56 0.166,57 0.701,58 7.864,59 3.827,60 23.546,61 3.725,62 0.452,63 1.041,64 12.803,65 6.264,66 57.144,67 6.734,68 0.528,69 1.243,70 21.543,71 8.515,72 60.433,73 8.73,74 0.71,75 1.248,76 24.318,77 8.666,78 92.8,79 8.313,80 0.652,81 1.181,82 27.581,83 8.346,84 92.914,85 7.815,86 0.69,87 1.122,88 20.238,89 7.475,90 87.63,91 7.587,92 0.578,93 1.062,94 19.049,95 7.694,96 77.979,97 8.875,98 0.391,99 0.941,100 20.887,101 7.295,102 52.792,103 8.78,104 39,105 43,106 0.329,107 0.655,108 0.797,109 0.89,110 0.898,111 0.898,112 3.375,113 0.989,114 -3.02,115 -3.02,116 -2.91,119 40.9,124 1,142 8,143 1,144 3,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 6,174 1,175 1,177 1,178 4,180 2,183 9,186 2,187 7,189 1,190 2,192 3,195 4,198 1,199 11,201 1,202 2,203 1,204 4,206 1,207 1,212 7,217 3,220 4,222 1,223 2,224 7,227 1,229 4,232 6,234 2,236 2,237 1,240 1,242 2,245 8,247 1,250 3,255 2,258 5,260 1,262 2,263 3,265 2,266 5,267 2,270 1,271 2,275 1174,276 18.342,277 18.342,278 18.342,279 18.342,280 18.342,281 15.774,282 15.159,283 10.584,284 18.836,285 14.715,286 14.715,287 14.715,288 14.715,289 14.715,290 10.734,291 12.358,292 4.924,293 15.523,294 3.532,295 1.62,296 0.79,297 0.244,298 0.199,299 0.199,300 4.05,301 1,304 1,305 1,306 638,307 3.808,311 292.257,318 1.758,319 43.809,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 305,332 4.861,333 4.687,334 7.312,335 4.321,336 3.4,337 4.714,338 1.058,339 12.534,340 3.108,341 4.404,342 3.583,343 6.447,344 4.001,345 3.034,346 4.073,348 9.917,349 2.929,350 4.058,351 2.978,352 6.074,353 3.681,354 2.693,355 3.641,357 8.765,358 2.658,359 3.993,360 2.861,361 5.52,362 3.527,363 2.584,364 3.542,366 7.4,367 2.416,368 3.45,369 2.487,370 4.962,371 2.992,372 2.026,373 2.789,375 5.607,376 1.948,377 3.295,378 2.361,379 4.868,380 2.862,381 1.938,382 2.532,384 5.196,385 1.784,386 3.214,387 1.824,388 4.639,389 2.716,390 1.764,391 2.462,393 4.906,394 1.6,395 2.738,396 1.376,397 4.256,398 2.229,399 1.254,400 1.832,402 3.594,403 1.213,404 2.66,405 1.315,406 3.815,407 2.159,408 1.176,409 1.731,411 2.759,412 1.137,413 2.579,414 1.223,415 3.499,416 2.075,417 1.127,418 1.61,420 2.595,421 1.074,422 2.576,423 1.104,424 3.475,425 2.053,426 1.082,427 1.571,428 2.49,429 1.039,430 1.484,431 1.087,432 3.146,433 1.216,434 0.259,435 0.297,436 0.379,437 0.244,438 1.273,439 0.246,440 2.721,441 0.855,442 -0.108,443 -0.139,445 -0.226,446 -0.103,447 1.203,448 0.199,449 2.62,450 0.846,451 -0.12,452 -0.15,454 -0.339,455 -0.115,456 1,457 0.178,458 2.562,459 0.37,460 -0.429,461 -0.53,463 -1.006,464 -0.264,465 13.548,466 0.484,467 0.875,468 0.031,469 41.5,470 1.482,471 23.5,472 0.839,473 18,474 0.643,475 19.004,476 0.679,477 29.652,478 0.674,479 34.138,480 1.219,481 8.243,482 0.294,483 5.054,484 0.18,485 0.193,486 0.062,487 0.295,493 0.642,494 1.263,495 0.693,496 1.072,497 0.722,498 0.803,499 0.599,500 1.082,501 0.728,502 0.888,503 0.567,504 0.846,505 0.996,506 1.1,507 1.054,508 1.09,509 0.945,510 1.007,511 1.267,512 1.043,513 1.098,514 1.079,515 1.302,516 0.996,517 1.459,518 1.017,519 1.026,520 0.974,521 1.481,522 0.918,523 1.023,524 0.99,525 0.939,526 1.054,527 1.111,528 1.046,529 0.936,530 0.873,531 0.747,532 0.801,533 1.022,534 0.977,535 0.757,536 1.19,537 0.913,538 1.161,539 0.788,540 1.117,541 7.5,542 0.132,543 4,544 2.313,545 1.756,546 1.361,547 0.61,548 0.462,549 0.419,550 0.171,551 9108,552 33746,553 1.984,554 36.4,556 11,558 1,559 4,564 1.712,565 1.816,566 3.435,567 1.768,568 1,569 1,573 84.792,574 1.927,575 3.839,576 4.67,577 5.215,578 5.26,579 5.26,580 2.897,581 3.941,582 4.779,583 3.589,584 1356.7,585 8.318,586 17807.9,588 1,590 1,591 240.215,592 1.678,593 4.706,594 0.25,595 0.007,596 0.093,597 0.051,598 0.042,599 0.034,600 0.016,601 0.014,602 0.015,603 0.007,604 0.53,605 0.17,606 1,607 0.991,608 140.297,609 -0.025,610 -0.071,611 0.113,612 -0.033,613 -0.184,614 0.062,615 0.207,616 0.02,617 0.049,618 0.056,619 0.197,620 0.032,621 -0.072,622 -0.051,623 -0.087,624 -0.073,625 -0.034,626 -0.075,627 -0.134,628 -0.002,629 -0.112,630 -0.045,631 -0.087,632 -0.074,633 -0.318,634 -0.004,635 -0.057,636 0.043,637 -0.242,638 0.015,639 0.031,640 0.02,641 -0.067,642 -0.11,643 0.018,644 -0.131,645 -0.025,646 0.062,647 0.042,648 0.094,649 -0.072,650 0.016,651 0.033,652 -0.28,653 0.088,654 -0.169,655 -0.051,656 -0.059,657 4.777,658 5.698,659 0.643,660 26.204,661 1.027,662 1.124,663 1.792,664 3.211,665 0.715,666 3.434,667 3.784,668 4.007,669 4.22,670 4.431,671 4.466,672 4.533,673 4.615,674 4.673,675 4.682,676 6.53,677 0.692,678 417.91,679 3.434,680 4.99,681 5.832,682 6.718,683 7.578,684 8.467,685 9.334,686 10.223,687 11.094,688 11.984,689 11.4,693 1,694 1,696 1,699 2,704 9,705 2,709 7,711 18,718 1,722 1,730 1,731 44,733 21,734 2,735 30,737 46,738 18,739 16,740 4,741 8,742 1,746 3,747 3,748 1,761 17,762 1,766 3,769 1,771 3,775 1,778 1,781 16,782 8,783 4,784 10,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 1,848 28,849 1,852 1,855 2,869 1,870 6.8,873 3,877 15.417,878 8.043,879 6.125,880 2.273,881 3.352,882 1.463,883 1,884 5.843,885 10.588,886 3.761,887 4.413,888 4.933,889 5.477,890 6.022,891 6.253,892 6.626,893 6.963,894 7.304,895 7.601,896 1,897 45,898 10.589,900 4.824,901 8.156,902 18.859,904 15.228,905 2.656,906 74.361,909 1,910 141.253,911 122.601,912 100.884,913 39.149,914 69.458,916 5.807,917 116.794,918 249.86,919 100.884,920 8.396,921 18.011,922 114.515,923 135.91,924 25.555,925 2.328,926 129.482,927 39.149,928 141.253,929 217.677,930 69.458,931 44.956,933 141.253,934 69.458,937 32.572,938 135.13,939 94.932,941 141.253,942 170.342,943 161.75,945 5.807,946 141.253,947 23.54,948 93.254,949 34.416,950 175.075,951 141.253,952 170.342,953 161.75,955 0.591,956 0.342,957 0.173,958 0.094,959 20,960 10,961 0.109,962 5,964 1,965 3.815,966 239.48,968 18,969 132.606,973 1,974 20.082,975 8.147,976 4.616,978 170.342,979 13.855,980 8.168,984 1.49,986 67.313,987 473.345,988 42,991 -3.861,993 37.26,997 -0.488,999 45.193,1000 49.475,1001 0.353,1002 0.703,1003 0.855,1004 0.955,1005 0.964,1006 0.964,1007 5.001,1008 1.254,1009 5.866,1010 4.906,1011 4.466,1012 5.1,1013 1.176,1014 6.72,1015 4.362,1016 6.261,1017 1.176,1018 7.467,1019 3.594,1020 4.29,1021 5.19,1023 7.921,1024 4.09,1025 7.618,1026 1.127,1027 9.179,1028 2.759,1029 6.155,1030 7.425,1031 1.255,1032 10.944,1033 5.939,1034 9.017,1035 1.082,1036 10.959,1037 2.595,1038 6.758,1039 8.294,1041 12.961,1042 6.436,1043 10.448,1044 0.259,1045 12.784,1046 2.49,1047 8.171,1048 10.078,1049 1.338,1050 15.598,1051 7.822,1052 11.904,1053 -0.108,1054 14.641,1055 0.379,1056 9.108,1057 11.294,1059 17.923,1060 8.652,1061 13.38,1062 -0.12,1063 16.523,1064 -0.226,1065 10.366,1066 12.913,1067 1.422,1068 20.458,1069 9.862,1070 3.4,1071 -0.429,1072 18.423,1073 -0.339,1074 11.448,1075 14.291,1077 22.9,1078 10.842,1079 3.034,1080 12.534,1081 20.338,1082 -1.006,1083 12.655,1084 15.848,1085 1.51,1086 25.415,1087 11.983,1088 2.693,1089 9.917,1090 22.265,1091 4.714,1092 13.802,1093 17.306,1095 27.903,1096 13.031,1097 2.584,1098 8.765,1099 24.201,1100 4.073,1101 14.998,1102 18.843,1103 1.599,1104 30.417,1105 14.148,1106 2.026,1107 7.4,1108 26.146,1109 3.641,1110 16.174,1111 20.34,1113 32.925,1114 15.228,1115 1.938,1116 5.607,1117 28.097,1118 3.542,1119 17.371,1120 21.873,1121 1.69,1122 35.443,1123 16.338,1124 1.764,1125 5.196,1126 30.054,1127 2.789,1128 18.563,1129 23.391,1131 37.961,1132 17.434,1133 9016,1134 17515,1135 19.186,1136 31.466,1137 45.026,1138 46.962,1139 47.227,1140 44.864,1141 44.673,1142 61.587,1143 2.117,1144 132.283,1145 42.301,1146 5.69,1147 6.687,1148 6.867,1149 5.392,1150 5.4,1151 7.714,1152 2.117,1153 19.967,1154 5.108,1155 16.721,1156 1.501,1157 1.565,1158 1.574,1159 1.495,1160 1.489,1161 2.053,1162 0.071,1163 4.409,1164 1.41,1165 4.106,1166 4.098,1167 4.737,1168 4.086,1169 7.717,1170 4.014,1171 3.908,1172 3.938,1173 3.974,1174 3.826,1175 7.429,1176 3.822,1177 3.825,1178 3.843,1179 3.915,1180 3.715,1181 6.999,1182 3.705,1183 3.583,1184 3.581,1185 3.636,1186 3.483,1187 5.182,1188 3.434,1189 3.421,1190 3.496,1191 3.322,1192 3.16,1193 4.943,1194 3.181,1195 3.05,1196 3.133,1197 3.297,1198 2.879,1199 4.761,1200 2.876,1201 2.917,1202 2.989,1203 2.924,1204 2.808,1205 4.517,1206 2.781,1207 2.888,1208 2.926,1209 2.746,1210 2.735,1211 4.354,1212 2.724,1213 0.162,1214 0.156,1215 0.244,1216 0.144,1217 0.113,1218 4.861,1219 0.157,1220 4.687,1221 0.035,1222 7.312,1223 0.418,1224 4.321,1225 0.104,1226 3.4,1227 4.714,1228 1.058,1229 12.534,1230 3.108,1231 1.997,1232 1.999,1233 2.02,1234 2.077,1235 1.203,1236 2.096,1237 1.874,1238 1.849,1239 1.961,1240 1.979,1241 1.054,1242 1.978,1243 1.728,1244 1.704,1245 1.788,1246 1.884,1247 0.797,1248 1.882,1249 1.431,1250 1.449,1251 1.644,1252 1.671,1253 0.668,1254 1.676,1255 1.335,1256 1.259,1257 1.262,1258 1.552,1259 0.539,1260 1.587,1261 1.021,1262 0.96,1263 1.236,1264 1.272,1265 0.265,1266 1.274,1267 0.871,1268 0.824,1269 1.106,1270 1.16,1271 0.189,1272 1.139,1273 0.848,1274 0.803,1275 1.064,1276 1.044,1277 0.134,1278 1.078,1279 4.111,1281 5.451,1283 6.986,1285 8.603,1287 10.262,1289 1.449,1290 5.897,1293 5.69,1296 4.9,1305 30.427,1306 84.792,1307 168.931,1308 205.46,1309 229.46,1310 231.46,1311 231.46,1312 70.679,1313 7.236,1314 127.07,1315 135.45,1316 18,1317 12.517,1318 4.459,1319 3.7,1320 49.644,1321 111,1322 100,1323 0.223,1324 197.402,1325 338.87,1326 473.422,1327 13085,1328 2.3,1329 20.311,1330 0.725,1331 0.58,1332 21.061,1333 16.251,1334 13.297,1335 0.443,1336 0.33,1337 8.071,1338 11.741,1339 7.72,1340 6.432,1341 14.407,1342 9.895,1343 12.554,1344 0.292,1345 0.182,1346 14.263,1347 7.831,1348 10.02,1349 0.186,1350 0.1,1351 11.373,1352 5.374,1353 7.936,1354 0.118,1355 0.055,1356 9.235,1357 3.697,1358 6.233,1359 0.075,1360 0.031,1361 7.381,1362 2.574,1363 0.348,1364 94.835,1365 0.228,1366 26.619,1367 0.615,1368 146,1369 503.539,1370 212.887,1371 540.351,1372 712.97,1373 494,1374 170,1375 468.138,1376 239.642,1377 521.661,1378 756.52,1379 487,1380 6.152}
{0 CHEMBL2152148,1 2.125,2 11.467,3 3.399,4 11.555,5 113.067,6 10.69,7 0.563,8 3.923,9 4.008,10 3.898,11 3.532,12 5.205,13 3.521,14 4.401,15 4.511,16 4.245,17 3.897,18 5.943,19 3.882,20 4.638,21 4.763,22 4.465,23 4.052,24 6.11,25 4.014,26 4.693,27 4.814,28 4.506,29 4.012,30 6.312,31 3.978,32 4.635,33 4.779,34 4.296,35 3.94,36 6.151,37 3.917,38 4.576,39 4.715,40 4.259,41 3.92,42 6.041,43 3.888,44 4.586,45 4.738,46 4.317,47 3.913,48 6.211,49 3.851,50 4.442,51 4.618,52 4.061,53 3.755,54 5.712,55 3.687,56 0.246,57 0.755,58 5.054,59 3.77,60 37.119,61 3.086,62 0.588,63 1.128,64 9.514,65 6.23,66 72.945,67 5.898,68 0.826,69 1.344,70 20.647,71 8.761,72 110.212,73 7.504,74 1.118,75 1.26,76 28.034,77 9.3,78 150.584,79 7.126,80 0.964,81 1.199,82 24.131,83 8.539,84 129.542,85 7.215,86 0.834,87 1.177,88 15.853,89 7.678,90 121.863,91 6.538,92 1.052,93 1.093,94 23.898,95 8.239,96 154.84,97 8.163,98 0.634,99 0.988,100 20.492,101 7.607,102 88.312,103 8.271,104 67,105 47,106 0.363,107 0.707,108 0.83,109 0.898,110 0.898,111 0.898,112 3.441,113 0.983,114 -3.36,115 -3.34,116 -3.2,119 40.9,124 1,142 6,143 1,144 5,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 4,174 1,175 1,177 1,178 4,180 1,183 5,186 2,187 5,189 1,190 2,192 4,195 5,198 1,199 11,201 1,202 2,203 1,204 3,206 1,207 2,212 10,217 3,220 1,222 1,223 2,224 3,227 1,229 4,232 6,234 2,236 2,237 2,240 1,242 2,245 10,247 1,250 1,258 3,262 2,263 5,265 2,266 5,267 2,268 2,270 1,273 1,275 1476,276 19.342,277 19.342,278 19.342,279 19.342,280 19.342,281 16.668,282 15.808,283 10.928,284 19.976,285 15.648,286 15.648,287 15.648,288 15.648,289 15.648,290 11.51,291 11.278,292 5.065,293 16.778,294 3.335,295 1.316,296 0.597,297 0.199,298 0.199,299 0.199,300 4.112,301 2,304 1,305 1,306 716,307 3.937,311 315.973,318 1.8,319 58.699,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 67.667,331 344,332 4.899,333 4.716,334 7.408,335 4.365,336 3.451,337 4.757,338 1.058,339 12.922,340 3.128,341 4.406,342 3.583,343 6.447,344 4.003,345 3.036,346 4.077,348 9.92,349 2.93,350 4.213,351 3.221,352 6.114,353 3.762,354 2.827,355 3.866,357 8.889,358 2.674,359 4.058,360 2.918,361 6.036,362 3.647,363 2.671,364 3.615,366 8.595,367 2.537,368 3.679,369 2.759,370 5.515,371 3.189,372 2.272,373 3.079,375 6.892,376 2.046,377 3.431,378 2.69,379 4.948,380 2.98,381 2.063,382 2.744,384 5.734,385 1.887,386 3.352,387 2.443,388 4.875,389 2.924,390 1.97,391 2.576,393 5.189,394 1.826,395 2.863,396 1.927,397 4.37,398 2.357,399 1.436,400 2.019,402 4.056,403 1.299,404 2.832,405 1.545,406 4.265,407 2.341,408 1.414,409 1.962,411 3.727,412 1.232,413 2.658,414 1.32,415 4.032,416 2.142,417 1.155,418 1.712,420 3.137,421 1.13,422 2.578,423 1.295,424 3.815,425 2.053,426 1.127,427 1.571,428 2.758,429 1.039,430 1.599,431 1.087,432 3.256,433 1.229,434 0.337,435 0.405,436 0.815,437 0.28,438 1.49,439 0.749,440 2.824,441 1.218,442 0.269,443 0.31,445 0.427,446 0.25,447 1.39,448 0.601,449 2.729,450 0.952,451 0.05,452 0.063,454 0.101,455 0.039,456 1.094,457 0.246,458 2.601,459 0.613,460 -0.263,461 -0.333,463 -0.597,464 -0.213,465 14.548,466 0.485,467 1.054,468 0.035,469 43,470 1.433,471 23.5,472 0.783,473 19.5,474 0.65,475 23.019,476 0.767,477 32.252,478 0.733,479 37.401,480 1.247,481 8.55,482 0.285,483 5.568,484 0.186,485 0.248,486 0.057,487 0.344,491 1,493 0.632,494 1.135,495 0.625,496 1.005,497 0.685,498 0.75,499 0.641,500 1.029,501 0.667,502 0.823,503 0.589,504 0.774,505 1.041,506 1.071,507 0.923,508 0.97,509 1.023,510 0.933,511 1.098,512 0.963,513 1.176,514 1.156,515 1.131,516 1.067,517 1.035,518 0.807,519 1.021,520 1.017,521 1.057,522 0.91,523 1.034,524 0.889,525 0.87,526 0.909,527 1.129,528 0.968,529 0.81,530 0.826,531 0.964,532 0.852,533 0.778,534 1,535 0.801,536 1.094,537 0.949,538 1.11,539 0.79,540 1.075,541 8.5,542 0.169,543 5.111,544 2.813,545 2.298,546 1.542,547 0.892,548 0.571,549 0.648,550 0.197,551 10566,552 45872,553 1.948,554 31.8,556 9,558 1,559 4,564 1.731,565 1.756,566 3.465,567 1.763,569 1,573 93.489,574 2.125,575 4.143,576 4.863,577 5.26,578 5.26,579 5.26,580 2.911,581 4.548,582 4.878,583 3.622,584 1575.42,585 8.525,586 21508.9,591 240.215,592 1.731,593 4.788,594 0.266,595 0.008,596 0.109,597 0.055,598 0.048,599 0.034,600 0.021,601 0.014,602 0.02,603 0.006,604 0.581,605 0.17,606 0.88,607 0.999,608 153.163,609 -0.051,610 -0.068,611 0.064,612 -0.032,613 -0.15,614 0.066,615 0.101,616 -0.022,617 0.044,618 0.083,619 0.136,620 0.078,621 -0.127,622 -0.04,623 0.012,624 0.032,625 -0.112,626 -0.024,627 -0.059,628 -0.011,629 -0.081,630 -0.11,631 -0.057,632 -0.158,633 -0.119,634 0.033,635 -0.07,636 -0.013,637 -0.071,638 0.047,639 -0.135,640 0.012,641 -0.031,642 0.022,643 -0.172,644 -0.045,645 0.148,646 0.053,647 0.08,648 0.084,649 0.148,650 -0.003,651 -0.01,652 -0.264,653 0.09,654 -0.118,655 -0.063,656 0.016,657 5.107,658 5.851,659 0.6,660 28.347,661 1.046,662 1.131,663 2.132,664 4.543,665 0.733,666 3.497,667 3.871,668 4.111,669 4.331,670 4.554,671 4.585,672 4.673,673 4.745,674 4.868,675 4.844,676 6.669,677 0.719,678 470.34,679 3.497,680 5.069,681 5.922,682 6.819,683 7.691,684 8.59,685 9.469,686 10.368,687 11.251,688 12.151,689 11.4,693 1,694 1,696 1,699 2,704 7,705 2,709 9,711 18,718 1,722 1,730 3,731 44,733 21,734 2,735 32,737 46,738 18,739 16,740 6,741 6,742 1,746 3,747 3,748 2,761 17,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 14,782 9,783 4,784 12,785 3,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 2,846 1,848 30,849 1,852 1,855 2,869 3,870 6.8,873 3,877 17.083,878 8.162,879 6.514,880 2.247,881 3.364,882 1.456,883 0.998,884 6.48,885 10.747,886 3.807,887 4.483,888 5.016,889 5.567,890 6.116,891 6.354,892 6.731,893 7.066,894 7.459,895 7.726,896 0.875,897 51,898 11.461,900 5.401,901 8.36,902 19.841,904 16.084,905 2.86,906 85.806,910 117.711,911 116.27,912 100.884,913 78.297,914 69.458,915 14.96,916 5.807,917 110.463,918 265.466,919 115.844,920 8.396,921 18.011,922 95.562,923 135.91,924 38.176,925 17.288,926 105.94,927 78.297,928 117.711,929 211.347,930 84.418,931 84.105,933 132.671,934 69.458,937 32.572,938 128.799,939 134.081,941 132.671,942 170.342,943 194.567,945 5.807,946 117.711,947 36.161,948 74.301,949 34.416,950 229.184,951 117.711,952 185.302,953 194.567,955 0.599,956 0.352,957 0.177,958 0.097,959 22,960 12,961 0.109,962 5,964 1,965 3.883,966 267.823,968 18,969 145.207,973 1,974 22.248,975 8.738,976 4.842,978 185.302,979 8.652,980 8.083,984 -0.755,986 67.313,987 497.58,988 44,991 -4.19,993 37.599,997 -0.545,999 46.029,1000 49.759,1001 0.389,1002 0.759,1003 0.891,1004 0.964,1005 0.964,1006 0.964,1007 5.066,1008 1.436,1009 5.974,1010 5.189,1011 4.554,1012 5.17,1013 1.176,1014 6.851,1015 4.417,1016 6.342,1017 1.414,1018 7.593,1019 4.056,1020 4.443,1021 5.33,1023 8.067,1024 4.195,1025 7.711,1026 1.155,1027 9.32,1028 3.727,1029 6.267,1030 7.517,1031 1.255,1032 11.111,1033 6.004,1034 9.119,1035 1.127,1036 11.11,1037 3.137,1038 6.909,1039 8.428,1041 13.129,1042 6.526,1043 10.558,1044 0.337,1045 12.942,1046 2.758,1047 8.3,1048 10.184,1049 1.338,1050 15.793,1051 7.89,1052 12.019,1053 0.269,1054 14.803,1055 0.815,1056 9.259,1057 11.422,1059 18.13,1060 8.732,1061 13.498,1062 0.05,1063 16.688,1064 0.427,1065 10.51,1066 13.028,1067 1.422,1068 20.696,1069 9.933,1070 3.451,1071 -0.263,1072 18.591,1073 0.101,1074 11.607,1075 14.419,1077 23.16,1078 10.918,1079 3.036,1080 12.922,1081 20.51,1082 -0.597,1083 12.816,1084 15.971,1085 1.51,1086 25.706,1087 12.057,1088 2.827,1089 9.92,1090 22.441,1091 4.757,1092 13.974,1093 17.437,1095 28.223,1096 13.108,1097 2.671,1098 8.889,1099 24.383,1100 4.077,1101 15.177,1102 18.975,1103 1.599,1104 30.769,1105 14.225,1106 2.272,1107 8.595,1108 26.333,1109 3.866,1110 16.365,1111 20.478,1113 33.308,1114 15.309,1115 2.063,1116 6.892,1117 28.291,1118 3.615,1119 17.572,1120 22.015,1121 1.69,1122 35.859,1123 16.421,1124 1.97,1125 5.734,1126 30.256,1127 3.079,1128 18.777,1129 23.54,1131 38.408,1132 17.521,1133 10530,1134 22129,1135 19.997,1136 32.261,1137 48.395,1138 51.577,1139 51.663,1140 48.423,1141 48.155,1142 65.511,1143 2.117,1144 146.319,1145 44.595,1146 5.737,1147 6.716,1148 6.951,1149 5.438,1150 5.451,1151 7.757,1152 2.117,1153 20.709,1154 5.128,1155 20.126,1156 1.512,1157 1.612,1158 1.614,1159 1.513,1160 1.505,1161 2.047,1162 0.066,1163 4.572,1164 1.394,1165 4.11,1166 4.098,1167 4.745,1168 4.094,1169 8.201,1170 4.022,1171 3.913,1172 3.942,1173 3.995,1174 3.827,1175 7.717,1176 3.828,1177 3.832,1178 3.847,1179 3.948,1180 3.715,1181 7.429,1182 3.708,1183 3.587,1184 3.583,1185 3.793,1186 3.488,1187 6.999,1188 3.437,1189 3.423,1190 3.496,1191 3.405,1192 3.166,1193 5.183,1194 3.187,1195 3.059,1196 3.133,1197 3.337,1198 2.904,1199 4.91,1200 2.899,1201 2.922,1202 2.989,1203 3.223,1204 2.808,1205 4.88,1206 2.789,1207 2.917,1208 2.954,1209 2.849,1210 2.733,1211 4.644,1212 2.737,1213 0.153,1214 0.147,1215 0.231,1216 0.136,1217 0.108,1218 4.899,1219 0.149,1220 4.716,1221 0.033,1222 7.408,1223 0.404,1224 4.365,1225 0.098,1226 3.451,1227 4.757,1228 1.058,1229 12.922,1230 3.128,1231 1.993,1232 2,1233 1.991,1234 2.069,1235 1.204,1236 2.086,1237 1.866,1238 1.845,1239 1.929,1240 1.979,1241 1.04,1242 1.971,1243 1.725,1244 1.703,1245 1.774,1246 1.877,1247 0.795,1248 1.874,1249 1.429,1250 1.448,1251 1.637,1252 1.671,1253 0.666,1254 1.676,1255 1.333,1256 1.26,1257 1.233,1258 1.554,1259 0.532,1260 1.582,1261 1.014,1262 0.961,1263 1.209,1264 1.261,1265 0.238,1266 1.261,1267 0.869,1268 0.824,1269 1.104,1270 1.16,1271 0.171,1272 1.138,1273 0.825,1274 0.785,1275 1.063,1276 1.048,1277 0.089,1278 1.07,1279 4.174,1281 5.533,1283 7.084,1285 8.72,1287 10.4,1289 1.412,1290 11.994,1291 13.219,1293 5.677,1296 4.661,1305 31.638,1306 93.489,1307 182.299,1308 213.95,1309 231.46,1310 231.46,1311 231.46,1312 96.829,1313 7.383,1314 127.07,1315 135.45,1316 18,1317 12.676,1318 4.459,1319 3.7,1320 55.181,1321 119,1322 124,1323 0.227,1324 206.934,1325 360.15,1326 496.678,1327 15391,1328 6.8,1329 22.052,1330 0.735,1331 0.587,1332 22.431,1333 17.608,1334 14.118,1335 0.441,1336 0.328,1337 8.287,1338 12.202,1339 7.924,1340 6.55,1341 15.123,1342 10.484,1343 13.605,1344 0.289,1345 0.179,1346 14.995,1347 8.408,1348 10.978,1349 0.183,1350 0.102,1351 12.522,1352 6.095,1353 8.645,1354 0.115,1355 0.058,1356 10.301,1357 4.341,1358 6.878,1359 0.073,1360 0.031,1361 8.329,1362 2.889,1363 0.353,1364 103.804,1365 0.224,1366 28.059,1367 0.633,1368 158,1369 631.853,1370 244.237,1371 664.376,1372 856.95,1373 606,1374 186,1375 540.334,1376 277.635,1377 596.672,1378 871.01,1379 557,1380 6.68}
{0 CHEMBL2152149,1 2.125,2 10.933,3 3.399,4 11.555,5 113.067,6 10.69,7 0.563,8 3.923,9 4.008,10 3.898,11 3.532,12 5.206,13 3.521,14 4.401,15 4.511,16 4.245,17 3.897,18 5.935,19 3.882,20 4.639,21 4.763,22 4.514,23 4.051,24 6.159,25 4.02,26 4.692,27 4.814,28 4.476,29 4.013,30 6.296,31 3.976,32 4.644,33 4.784,34 4.33,35 3.938,36 6.148,37 3.925,38 4.585,39 4.719,40 4.278,41 3.921,42 6.255,43 3.896,44 4.577,45 4.733,46 4.283,47 3.913,48 6.022,49 3.847,50 4.456,51 4.626,52 4.137,53 3.753,54 5.828,55 3.7,56 0.246,57 0.755,58 5.054,59 3.77,60 37.23,61 3.086,62 0.588,63 1.128,64 9.514,65 6.23,66 74.624,67 5.898,68 0.861,69 1.325,70 20.504,71 8.771,72 112.128,73 7.536,74 1.086,75 1.307,76 28.238,77 9.275,78 143.124,79 7.253,80 1.002,81 1.269,82 23.775,83 8.633,84 148.344,85 6.702,86 0.978,87 1.177,88 16.034,89 7.65,90 152.028,91 6.782,92 0.895,93 1.084,94 23.986,95 8.22,96 114.836,97 8.059,98 0.732,99 1.021,100 20.165,101 7.661,102 101.584,103 7.954,104 67,105 47,106 0.363,107 0.707,108 0.83,109 0.898,110 0.898,111 0.898,112 3.441,113 0.983,114 -3.36,115 -3.34,116 -3.2,119 40.9,124 1,142 6,143 1,144 5,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 4,180 1,183 4,186 2,187 5,189 1,190 2,192 3,195 5,198 1,199 11,201 1,202 2,203 1,204 4,206 1,207 2,212 8,217 3,220 1,222 1,223 2,224 5,227 1,229 4,232 5,234 2,236 2,237 2,240 1,242 2,245 8,247 1,250 1,258 5,262 2,263 4,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1460,276 19.394,277 19.394,278 19.394,279 19.394,280 19.394,281 16.693,282 14.764,283 10.937,284 19.997,285 15.622,286 15.622,287 15.622,288 15.622,289 15.622,290 11.482,291 10.265,292 5.033,293 16.734,294 3.335,295 1.316,296 0.597,297 0.199,298 0.199,299 0.199,300 4.112,301 2,304 1,305 1,306 682,307 3.937,311 314.335,318 1.738,319 59.338,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 67.667,331 328,332 4.899,333 4.716,334 7.408,335 4.367,336 3.452,337 4.757,338 1.058,339 12.925,340 3.13,341 4.407,342 3.583,343 6.447,344 4.003,345 3.037,346 4.078,348 9.921,349 2.931,350 4.296,351 3.39,352 6.336,353 3.832,354 2.915,355 3.962,357 9.394,358 2.684,359 4.063,360 2.921,361 6.079,362 3.663,363 2.681,364 3.619,366 8.761,367 2.575,368 3.679,369 2.756,370 5.555,371 3.188,372 2.272,373 3.078,375 6.974,376 2.04,377 3.353,378 2.443,379 4.981,380 2.931,381 1.973,382 2.578,384 5.461,385 1.865,386 3.247,387 2.391,388 4.875,389 2.812,390 1.879,391 2.496,393 5.188,394 1.731,395 2.866,396 1.844,397 4.37,398 2.359,399 1.414,400 2.029,402 4.056,403 1.3,404 2.862,405 1.552,406 4.151,407 2.354,408 1.414,409 2.019,411 3.206,412 1.29,413 2.66,414 1.358,415 3.866,416 2.146,417 1.162,418 1.715,420 3.152,421 1.132,422 2.578,423 1.313,424 3.815,425 2.053,426 1.127,427 1.571,428 2.758,429 1.039,430 1.555,431 1.087,432 3.278,433 1.221,434 0.376,435 0.422,436 0.892,437 0.257,438 1.49,439 1.052,440 2.826,441 1.16,442 0.27,443 0.31,445 0.429,446 0.247,447 1.39,448 0.643,449 2.732,450 0.951,451 0.054,452 0.067,454 0.108,455 0.042,456 1.108,457 0.195,458 2.601,459 0.689,460 -0.211,461 -0.265,463 -0.499,464 -0.184,465 14.548,466 0.485,467 1.037,468 0.035,469 43,470 1.433,471 23.5,472 0.783,473 19.5,474 0.65,475 23.134,476 0.771,477 32.252,478 0.733,479 37.516,480 1.251,481 8.565,482 0.286,483 5.57,484 0.186,485 0.248,486 0.057,487 0.344,491 1,493 0.632,494 1.135,495 0.625,496 1.005,497 0.684,498 0.75,499 0.641,500 1.029,501 0.667,502 0.823,503 0.603,504 0.774,505 0.939,506 1.083,507 0.834,508 0.975,509 0.949,510 0.902,511 1.13,512 0.935,513 1.23,514 1.153,515 1.156,516 1.079,517 1.222,518 0.955,519 1.021,520 1.024,521 1.269,522 0.909,523 0.889,524 0.908,525 0.867,526 0.906,527 0.89,528 0.948,529 0.96,530 0.835,531 0.991,532 0.855,533 0.961,534 0.999,535 0.87,536 1.19,537 0.9,538 1.116,539 0.892,540 1.056,541 8,542 0.14,543 5.333,544 2.938,545 2.218,546 1.639,547 0.812,548 0.578,549 0.603,550 0.211,551 10466,552 45056,553 1.948,554 31.8,556 9,558 1,559 4,564 1.731,565 1.756,566 3.422,567 1.763,569 1,573 93.489,574 2.125,575 4.143,576 4.863,577 5.26,578 5.26,579 5.26,580 2.864,581 4.548,582 4.88,583 3.592,584 1562.64,585 8.529,586 21321.5,591 240.215,592 1.731,593 4.788,594 0.25,595 0.007,596 0.113,597 0.056,598 0.046,599 0.036,600 0.018,601 0.015,602 0.018,603 0.007,604 0.567,605 0.17,606 0.88,607 0.999,608 152.912,609 -0.051,610 -0.068,611 0.064,612 -0.032,613 -0.149,614 0.066,615 0.101,616 -0.022,617 0.044,618 0.083,619 0.121,620 0.078,621 -0.024,622 -0.051,623 0.102,624 0.027,625 -0.037,626 0.007,627 -0.092,628 0.017,629 -0.135,630 -0.106,631 -0.082,632 -0.17,633 -0.213,634 -0.013,635 -0.073,636 -0.015,637 -0.181,638 0.029,639 0.065,640 0.048,641 -0.03,642 0.028,643 0.128,644 -0.035,645 -0.056,646 -0.011,647 0.054,648 0.079,649 -0.094,650 0.008,651 0.033,652 -0.24,653 0.137,654 -0.119,655 -0.045,656 0.012,657 5.155,658 5.848,659 0.6,660 27.778,661 1.046,662 1.131,663 2.132,664 4.543,665 0.733,666 3.497,667 3.871,668 4.127,669 4.331,670 4.543,671 4.595,672 4.654,673 4.762,674 4.86,675 4.852,676 6.594,677 0.719,678 470.34,679 3.497,680 5.069,681 5.927,682 6.823,683 7.699,684 8.598,685 9.48,686 10.38,687 11.264,688 12.165,689 11.4,693 1,694 1,696 1,699 2,704 7,705 2,709 9,711 18,718 1,722 1,730 3,731 44,733 21,734 2,735 32,737 46,738 18,739 16,740 6,741 6,742 1,746 3,747 3,748 2,761 17,762 1,766 3,769 1,771 3,775 1,778 1,779 1,781 14,782 9,783 4,784 12,785 3,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 2,846 1,848 30,849 1,852 1,855 2,869 3,870 6.8,873 3,877 17.083,878 8.162,879 6.542,880 2.254,881 3.372,882 1.457,883 0.998,884 6.48,885 10.755,886 3.807,887 4.483,888 5.026,889 5.567,890 6.106,891 6.362,892 6.713,893 7.082,894 7.457,895 7.729,896 1,897 52,898 11.492,900 5.448,901 8.36,902 19.841,904 16.088,905 2.86,906 85.806,910 117.711,911 116.27,912 100.884,913 78.297,914 69.458,915 14.96,916 5.807,917 110.463,918 265.466,919 115.844,920 8.396,921 18.011,922 95.562,923 135.91,924 38.176,925 17.288,926 105.94,927 78.297,928 117.711,929 211.347,930 84.418,931 84.105,933 132.671,934 69.458,937 32.572,938 128.799,939 134.081,941 132.671,942 170.342,943 194.567,945 5.807,946 117.711,947 36.161,948 74.301,949 34.416,950 229.184,951 117.711,952 185.302,953 194.567,955 0.6,956 0.359,957 0.177,958 0.094,959 22,960 12,961 0.109,962 5,964 1,965 3.867,966 268.822,968 18,969 143.207,973 1,974 22.248,975 8.738,976 4.678,978 185.302,979 9.089,980 8.072,984 -1.393,986 67.313,987 497.58,988 44,991 -4.238,993 37.594,997 -0.55,999 46.029,1000 49.759,1001 0.389,1002 0.759,1003 0.891,1004 0.964,1005 0.964,1006 0.964,1007 5.066,1008 1.414,1009 5.979,1010 5.188,1011 4.554,1012 5.17,1013 1.176,1014 6.864,1015 4.417,1016 6.342,1017 1.414,1018 7.605,1019 4.056,1020 4.443,1021 5.33,1023 8.093,1024 4.195,1025 7.713,1026 1.162,1027 9.34,1028 3.206,1029 6.275,1030 7.522,1031 1.255,1032 11.144,1033 6.007,1034 9.124,1035 1.127,1036 11.138,1037 3.152,1038 6.929,1039 8.443,1041 13.165,1042 6.534,1043 10.566,1044 0.376,1045 12.976,1046 2.758,1047 8.321,1048 10.198,1049 1.338,1050 15.831,1051 7.899,1052 12.031,1053 0.27,1054 14.843,1055 0.892,1056 9.289,1057 11.444,1059 18.162,1060 8.745,1061 13.514,1062 0.054,1063 16.732,1064 0.429,1065 10.54,1066 13.049,1067 1.422,1068 20.726,1069 9.946,1070 3.452,1071 -0.211,1072 18.637,1073 0.108,1074 11.641,1075 14.444,1077 23.185,1078 10.934,1079 3.037,1080 12.925,1081 20.556,1082 -0.499,1083 12.85,1084 15.995,1085 1.51,1086 25.727,1087 12.072,1088 2.915,1089 9.921,1090 22.487,1091 4.757,1092 14.01,1093 17.461,1095 28.24,1096 13.124,1097 2.681,1098 9.394,1099 24.427,1100 4.078,1101 15.211,1102 18.998,1103 1.599,1104 30.784,1105 14.241,1106 2.272,1107 8.761,1108 26.376,1109 3.962,1110 16.399,1111 20.501,1113 33.32,1114 15.325,1115 1.973,1116 6.974,1117 28.332,1118 3.619,1119 17.604,1120 22.036,1121 1.69,1122 35.869,1123 16.436,1124 1.879,1125 5.461,1126 30.294,1127 3.078,1128 18.807,1129 23.559,1131 38.416,1132 17.536,1133 10435,1134 21844,1135 19.997,1136 32.261,1137 48.193,1138 51.964,1139 51.823,1140 48.183,1141 48.053,1142 65.402,1143 2.117,1144 146.449,1145 44.52,1146 5.738,1147 6.716,1148 6.952,1149 5.44,1150 5.452,1151 7.757,1152 2.117,1153 20.727,1154 5.13,1155 20.033,1156 1.506,1157 1.624,1158 1.619,1159 1.506,1160 1.502,1161 2.044,1162 0.066,1163 4.577,1164 1.391,1165 4.11,1166 4.098,1167 4.745,1168 4.094,1169 8.201,1170 4.022,1171 3.914,1172 3.942,1173 4.003,1174 3.827,1175 7.717,1176 3.828,1177 3.832,1178 3.847,1179 3.948,1180 3.715,1181 7.429,1182 3.708,1183 3.586,1184 3.583,1185 3.793,1186 3.488,1187 6.999,1188 3.436,1189 3.423,1190 3.496,1191 3.405,1192 3.166,1193 5.183,1194 3.186,1195 3.058,1196 3.132,1197 3.296,1198 2.905,1199 4.906,1200 2.898,1201 2.918,1202 2.989,1203 3.223,1204 2.808,1205 4.854,1206 2.787,1207 2.917,1208 2.961,1209 2.859,1210 2.733,1211 4.644,1212 2.74,1213 0.153,1214 0.147,1215 0.232,1216 0.136,1217 0.108,1218 4.899,1219 0.149,1220 4.716,1221 0.033,1222 7.408,1223 0.404,1224 4.367,1225 0.098,1226 3.452,1227 4.757,1228 1.058,1229 12.925,1230 3.13,1231 1.993,1232 2,1233 1.991,1234 2.069,1235 1.204,1236 2.086,1237 1.866,1238 1.845,1239 1.934,1240 1.979,1241 1.04,1242 1.971,1243 1.725,1244 1.704,1245 1.774,1246 1.877,1247 0.795,1248 1.874,1249 1.43,1250 1.449,1251 1.637,1252 1.671,1253 0.667,1254 1.676,1255 1.334,1256 1.26,1257 1.241,1258 1.554,1259 0.535,1260 1.584,1261 1.014,1262 0.962,1263 1.22,1264 1.261,1265 0.238,1266 1.262,1267 0.847,1268 0.814,1269 1.074,1270 1.16,1271 0.146,1272 1.138,1273 0.837,1274 0.792,1275 1.061,1276 1.051,1277 0.051,1278 1.052,1279 4.174,1281 5.533,1283 7.089,1285 8.731,1287 10.414,1289 1.409,1290 11.915,1291 13.636,1293 5.675,1296 4.598,1305 31.638,1306 93.489,1307 182.299,1308 213.95,1309 231.46,1310 231.46,1311 231.46,1312 97.7,1313 7.383,1314 127.07,1315 135.45,1316 18,1317 12.69,1318 4.459,1319 3.7,1320 55.154,1321 118,1322 116,1323 0.229,1324 206.934,1325 360.15,1326 496.678,1327 15391,1328 6.8,1329 22.052,1330 0.735,1331 0.587,1332 22.431,1333 17.608,1334 14.135,1335 0.442,1336 0.328,1337 8.293,1338 12.248,1339 7.931,1340 6.561,1341 15.123,1342 10.49,1343 13.477,1344 0.287,1345 0.178,1346 14.995,1347 8.356,1348 11.244,1349 0.184,1350 0.101,1351 12.522,1352 6.187,1353 8.594,1354 0.115,1355 0.057,1356 10.301,1357 4.302,1358 6.749,1359 0.073,1360 0.031,1361 8.329,1362 2.891,1363 0.356,1364 103.905,1365 0.224,1366 27.998,1367 0.641,1368 158,1369 631.853,1370 244.237,1371 664.339,1372 857.63,1373 606,1374 187,1375 541.334,1376 282.305,1377 597.809,1378 875.36,1379 558,1380 6.012}
{0 CHEMBL2152150,1 2.062,2 11.467,3 3.858,4 14.885,5 117.655,6 11.063,7 0.563,8 3.919,9 4.001,10 3.925,11 3.558,12 5.169,13 3.534,14 4.397,15 4.502,16 4.284,17 3.933,18 5.902,19 3.901,20 4.63,21 4.748,22 4.499,23 4.095,24 6.06,25 4.034,26 4.687,27 4.803,28 4.565,29 4.055,30 6.263,31 3.998,32 4.633,33 4.774,34 4.318,35 3.951,36 6.13,37 3.924,38 4.572,39 4.707,40 4.311,41 3.957,42 6.023,43 3.901,44 4.579,45 4.726,46 4.382,47 3.947,48 6.08,49 3.874,50 4.438,51 4.61,52 4.107,53 3.798,54 5.664,55 3.709,56 0.222,57 0.68,58 4.253,59 3.634,60 30.794,61 3,62 0.547,63 1.009,64 8.609,65 6.052,66 65.821,67 5.859,68 0.73,69 1.187,70 21.684,71 8.662,72 85.949,73 7.754,74 1.019,75 1.196,76 30.442,77 9.321,78 127.492,79 7.279,80 0.904,81 1.159,82 23.512,83 8.667,84 117.237,85 7.129,86 0.773,87 1.083,88 17.908,89 7.734,90 101.407,91 6.641,92 0.903,93 1.002,94 23.922,95 8.241,96 107.714,97 8.123,98 0.571,99 0.908,100 20.013,101 7.679,102 74.127,103 8.379,104 67,105 47,106 0.352,107 0.686,108 0.812,109 0.89,110 0.898,111 0.898,112 3.441,113 1.018,114 -3.47,115 -3.45,116 -3.3,119 40.9,124 1,142 6,143 1,144 5,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 4,174 1,175 1,177 1,178 4,180 1,183 7,186 2,187 5,189 1,190 2,192 4,195 6,198 1,199 11,201 1,202 2,203 1,204 3,206 1,207 3,212 10,217 4,220 1,222 1,223 2,224 3,227 1,229 4,232 6,234 2,236 2,237 4,240 1,242 2,245 10,247 1,250 1,258 4,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 3,273 1,275 1476,276 19.342,277 19.342,278 19.342,279 19.342,280 19.342,281 16.668,282 15.782,283 10.928,284 20.05,285 15.648,286 15.648,287 15.648,288 15.648,289 15.648,290 11.51,291 11.246,292 5.065,293 16.926,294 3.397,295 1.441,296 0.705,297 0.244,298 0.199,299 0.199,300 4.112,301 3,305 1,306 716,307 3.937,311 315.973,318 1.8,319 52.526,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 66.5,331 344,332 4.899,333 4.716,334 7.408,335 4.365,336 3.451,337 4.757,338 1.058,339 12.922,340 3.128,341 4.406,342 3.583,343 6.447,344 4.003,345 3.036,346 4.077,348 9.92,349 2.93,350 4.213,351 3.226,352 6.114,353 3.757,354 2.827,355 3.866,357 8.889,358 2.67,359 4.058,360 2.919,361 6.036,362 3.643,363 2.671,364 3.615,366 8.595,367 2.503,368 3.679,369 2.762,370 5.515,371 3.183,372 2.272,373 3.079,375 6.892,376 2.029,377 3.431,378 2.708,379 4.948,380 2.943,381 2.063,382 2.744,384 5.734,385 1.86,386 3.352,387 2.443,388 4.875,389 2.914,390 1.97,391 2.576,393 5.189,394 1.702,395 2.863,396 1.927,397 4.37,398 2.357,399 1.436,400 2.019,402 4.056,403 1.299,404 2.832,405 1.546,406 4.265,407 2.341,408 1.414,409 1.962,411 3.727,412 1.231,413 2.658,414 1.32,415 4.032,416 2.142,417 1.155,418 1.712,420 3.137,421 1.129,422 2.578,423 1.296,424 3.815,425 2.053,426 1.127,427 1.571,428 2.758,429 1.039,430 1.599,431 1.087,432 3.256,433 1.222,434 0.337,435 0.405,436 0.815,437 0.261,438 1.49,439 0.753,440 2.824,441 1.2,442 0.269,443 0.31,445 0.427,446 0.248,447 1.39,448 0.603,449 2.729,450 0.951,451 0.05,452 0.063,454 0.101,455 0.039,456 1.094,457 0.256,458 2.601,459 0.612,460 -0.263,461 -0.333,463 -0.597,464 -0.212,465 14.976,466 0.499,467 1.054,468 0.035,469 43,470 1.433,471 23.5,472 0.783,473 19.5,474 0.65,475 23.88,476 0.796,477 31.824,478 0.723,479 36.539,480 1.218,481 8.419,482 0.281,483 5.699,484 0.19,485 0.27,486 0.056,487 0.334,493 0.65,494 1.258,495 0.598,496 0.953,497 0.726,498 0.72,499 0.637,500 1.066,501 0.649,502 0.764,503 0.582,504 0.74,505 1.022,506 1.087,507 0.958,508 0.988,509 0.997,510 0.948,511 1.188,512 1.046,513 1.074,514 1.117,515 1.257,516 1.049,517 1.202,518 1.035,519 0.902,520 1.017,521 1.286,522 0.891,523 1.126,524 0.969,525 0.791,526 0.853,527 1.259,528 0.955,529 0.901,530 0.87,531 0.906,532 0.879,533 0.946,534 0.982,535 0.836,536 1.171,537 0.885,538 1.05,539 0.843,540 1.034,541 8.5,542 0.169,543 5.111,544 2.813,545 2.298,546 1.542,547 0.892,548 0.571,549 0.648,550 0.197,551 10566,552 45872,553 1.948,554 31.8,556 9,558 1,559 4,564 1.731,565 1.756,566 3.465,567 1.763,569 1,573 90.734,574 2.062,575 4.018,576 4.754,577 5.215,578 5.26,579 5.26,580 2.911,581 4.548,582 4.878,583 3.622,584 1575.42,585 8.525,586 21508.9,591 240.215,592 1.731,593 4.788,594 0.266,595 0.008,596 0.109,597 0.055,598 0.048,599 0.034,600 0.021,601 0.014,602 0.02,603 0.006,604 0.581,605 0.17,606 0.88,607 0.999,608 153.163,609 -0.052,610 -0.066,611 0.047,612 -0.031,613 -0.182,614 0.065,615 0.134,616 0.039,617 0.038,618 0.114,619 0.176,620 0.091,621 -0.108,622 -0.04,623 -0.033,624 -0.004,625 -0.088,626 -0.048,627 -0.071,628 -0.01,629 -0.048,630 -0.084,631 -0.061,632 -0.152,633 -0.155,634 -0.012,635 -0.054,636 -0.022,637 -0.09,638 0.047,639 -0.149,640 0.048,641 -0.002,642 0.069,643 -0.17,644 -0.047,645 0.098,646 0.053,647 0.093,648 0.053,649 0.032,650 0.009,651 -0.009,652 -0.259,653 0.091,654 -0.061,655 -0.082,656 0.047,657 5.027,658 5.911,659 0.6,660 28.347,661 1.042,662 1.122,663 2.242,664 5.029,665 0.754,666 3.497,667 3.871,668 4.111,669 4.331,670 4.554,671 4.585,672 4.673,673 4.745,674 4.868,675 4.844,676 6.669,677 0.729,678 486.79,679 3.497,680 5.069,681 5.922,682 6.819,683 7.691,684 8.59,685 9.469,686 10.368,687 11.251,688 12.151,689 11.4,693 1,694 1,696 1,699 2,704 7,705 2,709 9,711 18,718 1,722 1,730 3,731 44,733 21,734 2,735 32,737 46,738 18,739 16,740 6,741 6,742 1,746 3,747 3,748 3,761 17,762 1,766 3,769 1,771 3,775 1,781 14,782 8,783 4,784 12,785 4,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 3,848 30,849 1,852 1,855 2,869 3,870 6.8,873 3,877 17.083,878 8.162,879 6.514,880 2.247,881 3.364,882 1.456,883 0.996,884 6.745,885 10.747,886 3.807,887 4.483,888 5.016,889 5.567,890 6.116,891 6.354,892 6.731,893 7.066,894 7.459,895 7.726,896 0.875,897 51,898 11.393,900 5.292,901 8.231,902 19.98,904 16.192,905 2.731,906 81.917,910 117.711,911 110.65,912 100.884,913 117.446,914 69.458,916 5.807,917 104.842,918 304.615,919 100.884,920 8.396,921 18.011,922 95.562,923 135.91,924 32.556,925 2.328,926 105.94,927 117.446,928 117.711,929 205.726,930 69.458,931 123.253,933 117.711,934 69.458,937 32.572,938 123.178,939 173.229,941 117.711,942 170.342,943 228.096,945 5.807,946 117.711,947 30.541,948 74.301,949 34.416,950 253.372,951 117.711,952 170.342,953 228.096,955 0.599,956 0.352,957 0.177,958 0.097,959 22,960 12,961 0.109,962 5,964 1,965 3.883,966 267.823,968 18,969 145.207,973 1,974 22.591,975 8.956,976 4.986,978 170.342,979 9.905,980 8.133,984 0.838,986 67.313,987 516.148,988 44,991 -4.111,993 37.737,997 -0.525,999 45.84,1000 49.363,1001 0.378,1002 0.736,1003 0.871,1004 0.955,1005 0.964,1006 0.964,1007 5.066,1008 1.436,1009 5.974,1010 5.189,1011 4.554,1012 5.17,1013 1.176,1014 6.851,1015 4.402,1016 6.342,1017 1.414,1018 7.593,1019 4.056,1020 4.443,1021 5.33,1023 8.067,1024 4.167,1025 7.711,1026 1.155,1027 9.32,1028 3.727,1029 6.267,1030 7.517,1031 1.255,1032 11.111,1033 5.985,1034 9.119,1035 1.127,1036 11.11,1037 3.137,1038 6.909,1039 8.428,1041 13.129,1042 6.503,1043 10.558,1044 0.337,1045 12.942,1046 2.758,1047 8.3,1048 10.184,1049 1.338,1050 15.793,1051 7.873,1052 12.019,1053 0.269,1054 14.803,1055 0.815,1056 9.259,1057 11.422,1059 18.13,1060 8.714,1061 13.498,1062 0.05,1063 16.688,1064 0.427,1065 10.51,1066 13.028,1067 1.422,1068 20.696,1069 9.918,1070 3.451,1071 -0.263,1072 18.591,1073 0.101,1074 11.607,1075 14.419,1077 23.16,1078 10.904,1079 3.036,1080 12.922,1081 20.51,1082 -0.597,1083 12.816,1084 15.971,1085 1.51,1086 25.706,1087 12.044,1088 2.827,1089 9.92,1090 22.441,1091 4.757,1092 13.974,1093 17.437,1095 28.223,1096 13.096,1097 2.671,1098 8.889,1099 24.383,1100 4.077,1101 15.177,1102 18.975,1103 1.599,1104 30.769,1105 14.215,1106 2.272,1107 8.595,1108 26.333,1109 3.866,1110 16.365,1111 20.478,1113 33.308,1114 15.299,1115 2.063,1116 6.892,1117 28.291,1118 3.615,1119 17.572,1120 22.015,1121 1.69,1122 35.859,1123 16.412,1124 1.97,1125 5.734,1126 30.256,1127 3.079,1128 18.777,1129 23.54,1131 38.408,1132 17.513,1133 10530,1134 22129,1135 19.997,1136 33.182,1137 48.395,1138 51.6,1139 51.663,1140 48.508,1141 48.155,1142 65.511,1143 2.117,1144 146.319,1145 44.136,1146 5.737,1147 6.716,1148 6.951,1149 5.439,1150 5.451,1151 7.757,1152 2.117,1153 20.709,1154 5.128,1155 20.126,1156 1.512,1157 1.612,1158 1.614,1159 1.516,1160 1.505,1161 2.047,1162 0.066,1163 4.572,1164 1.379,1165 4.11,1166 4.097,1167 4.745,1168 4.095,1169 7.717,1170 4.023,1171 3.911,1172 3.938,1173 4.07,1174 3.841,1175 7.429,1176 3.835,1177 3.83,1178 3.842,1179 3.951,1180 3.718,1181 6.999,1182 3.709,1183 3.586,1184 3.581,1185 3.795,1186 3.491,1187 5.184,1188 3.438,1189 3.423,1190 3.495,1191 3.582,1192 3.167,1193 5.02,1194 3.187,1195 3.058,1196 3.132,1197 3.405,1198 2.905,1199 4.9,1200 2.899,1201 2.917,1202 2.989,1203 3.223,1204 2.839,1205 4.644,1206 2.811,1207 2.904,1208 2.923,1209 3.083,1210 2.771,1211 4.631,1212 2.75,1213 0.153,1214 0.147,1215 0.231,1216 0.136,1217 0.108,1218 4.899,1219 0.149,1220 4.716,1221 0.033,1222 7.408,1223 0.404,1224 4.365,1225 0.098,1226 3.451,1227 4.757,1228 1.058,1229 12.922,1230 3.128,1231 1.993,1232 2,1233 1.991,1234 2.068,1235 1.205,1236 2.085,1237 1.869,1238 1.85,1239 1.918,1240 1.969,1241 1.051,1242 1.967,1243 1.725,1244 1.704,1245 1.774,1246 1.87,1247 0.795,1248 1.871,1249 1.43,1250 1.45,1251 1.637,1252 1.67,1253 0.667,1254 1.675,1255 1.333,1256 1.26,1257 1.232,1258 1.546,1259 0.534,1260 1.58,1261 1.014,1262 0.962,1263 1.204,1264 1.261,1265 0.238,1266 1.261,1267 0.87,1268 0.824,1269 1.101,1270 1.16,1271 0.173,1272 1.138,1273 0.832,1274 0.806,1275 1.063,1276 1.024,1277 0.098,1278 1.065,1279 4.174,1281 5.533,1283 7.084,1285 8.72,1287 10.4,1289 1.427,1290 18.031,1293 5.695,1296 4.786,1305 32.082,1306 90.734,1307 176.789,1308 209.195,1309 229.46,1310 231.46,1311 231.46,1312 88.593,1313 7.383,1314 127.07,1315 135.45,1316 18,1317 12.676,1318 4.459,1319 3.7,1320 55.181,1321 119,1322 124,1323 0.227,1324 214.068,1325 369.29,1326 514.086,1327 15391,1328 6.8,1329 22.052,1330 0.735,1331 0.612,1332 23.802,1333 18.364,1334 14.118,1335 0.441,1336 0.339,1337 8.342,1338 12.011,1339 7.924,1340 6.55,1341 15.805,1342 10.862,1343 13.605,1344 0.289,1345 0.188,1346 16.037,1347 8.845,1348 10.978,1349 0.183,1350 0.105,1351 13.078,1352 6.33,1353 8.645,1354 0.115,1355 0.061,1356 11.063,1357 4.582,1358 6.878,1359 0.073,1360 0.032,1361 8.704,1362 3.011,1363 0.353,1364 106.114,1365 0.224,1366 28.059,1367 0.633,1368 158,1369 571.945,1370 255.925,1371 664.376,1372 856.95,1373 606,1374 186,1375 523.863,1376 284.484,1377 596.672,1378 871.01,1379 557,1380 6.491}
{0 CHEMBL2152250,1 2.062,2 10.933,3 3.858,4 14.885,5 117.655,6 11.063,7 0.563,8 3.919,9 4.001,10 3.925,11 3.558,12 5.17,13 3.534,14 4.397,15 4.502,16 4.284,17 3.933,18 5.896,19 3.901,20 4.632,21 4.748,22 4.586,23 4.107,24 6.084,25 4.046,26 4.687,27 4.803,28 4.511,29 4.045,30 6.255,31 3.993,32 4.639,33 4.773,34 4.38,35 3.98,36 6.123,37 3.94,38 4.578,39 4.707,40 4.345,41 3.955,42 6.131,43 3.918,44 4.573,45 4.726,46 4.32,47 3.949,48 5.987,49 3.866,50 4.446,51 4.609,52 4.241,53 3.828,54 5.722,55 3.736,56 0.222,57 0.68,58 4.253,59 3.634,60 30.906,61 3,62 0.547,63 1.009,64 8.609,65 6.052,66 66.322,67 5.859,68 0.745,69 1.19,70 23.108,71 8.674,72 85.866,73 7.764,74 1.006,75 1.188,76 28.312,77 9.282,78 127.132,79 7.313,80 0.918,81 1.148,82 27.305,83 8.835,84 122.288,85 6.987,86 0.832,87 1.083,88 15.896,89 7.687,90 104.046,91 6.706,92 0.838,93 1.005,94 23.035,95 8.202,96 101.644,97 8.098,98 0.611,99 0.902,100 23.435,101 7.774,102 75.82,103 8.292,104 67,105 47,106 0.352,107 0.686,108 0.812,109 0.89,110 0.898,111 0.898,112 3.441,113 1.019,114 -3.47,115 -3.45,116 -3.3,119 40.9,124 1,142 6,143 1,144 5,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 4,180 1,183 5,186 2,187 5,189 1,190 2,192 3,195 7,198 1,199 11,201 1,202 2,203 1,204 5,206 1,207 3,212 8,217 3,220 1,222 1,223 2,224 7,227 1,229 4,232 5,234 2,236 2,237 2,240 1,242 2,245 9,247 1,250 1,258 8,262 2,263 4,265 2,266 5,267 2,268 2,270 1,271 2,273 1,275 1460,276 19.394,277 19.394,278 19.394,279 19.394,280 19.394,281 16.693,282 14.747,283 10.937,284 20.063,285 15.622,286 15.622,287 15.622,288 15.622,289 15.622,290 11.482,291 10.25,292 5.033,293 16.885,294 3.397,295 1.441,296 0.705,297 0.244,298 0.199,299 0.199,300 4.112,301 3,305 1,306 682,307 3.937,311 314.335,318 1.738,319 52.821,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 66.5,331 328,332 4.899,333 4.716,334 7.408,335 4.367,336 3.452,337 4.757,338 1.058,339 12.925,340 3.129,341 4.407,342 3.583,343 6.447,344 4.003,345 3.037,346 4.078,348 9.921,349 2.93,350 4.296,351 3.398,352 6.336,353 3.817,354 2.915,355 3.962,357 9.394,358 2.674,359 4.063,360 2.921,361 6.079,362 3.66,363 2.681,364 3.619,366 8.761,367 2.526,368 3.679,369 2.756,370 5.555,371 3.184,372 2.272,373 3.078,375 6.974,376 2.029,377 3.353,378 2.443,379 4.981,380 2.93,381 1.973,382 2.578,384 5.461,385 1.859,386 3.247,387 2.408,388 4.875,389 2.777,390 1.879,391 2.496,393 5.188,394 1.613,395 2.866,396 1.846,397 4.37,398 2.359,399 1.414,400 2.029,402 4.056,403 1.298,404 2.862,405 1.552,406 4.151,407 2.354,408 1.414,409 2.019,411 3.206,412 1.283,413 2.66,414 1.359,415 3.866,416 2.145,417 1.162,418 1.715,420 3.152,421 1.131,422 2.578,423 1.313,424 3.815,425 2.053,426 1.127,427 1.571,428 2.758,429 1.039,430 1.555,431 1.087,432 3.278,433 1.221,434 0.376,435 0.422,436 0.892,437 0.253,438 1.49,439 1.057,440 2.826,441 1.136,442 0.27,443 0.31,445 0.429,446 0.231,447 1.39,448 0.643,449 2.732,450 0.95,451 0.054,452 0.067,454 0.108,455 0.042,456 1.108,457 0.195,458 2.601,459 0.637,460 -0.211,461 -0.265,463 -0.499,464 -0.165,465 14.976,466 0.499,467 1.037,468 0.035,469 43,470 1.433,471 23.5,472 0.783,473 19.5,474 0.65,475 24.071,476 0.802,477 31.824,478 0.723,479 36.579,480 1.219,481 8.434,482 0.281,483 5.701,484 0.19,485 0.27,486 0.056,487 0.334,493 0.65,494 1.258,495 0.598,496 0.953,497 0.725,498 0.72,499 0.637,500 1.066,501 0.649,502 0.764,503 0.593,504 0.74,505 0.946,506 1.085,507 0.813,508 0.918,509 0.954,510 0.884,511 1.212,512 1.052,513 1.161,514 1.165,515 1.269,516 1.074,517 1.298,518 1.021,519 0.971,520 1.004,521 1.364,522 0.922,523 0.994,524 0.974,525 0.824,526 0.933,527 1.089,528 0.931,529 1.037,530 0.859,531 0.914,532 0.803,533 1.077,534 0.962,535 0.836,536 1.171,537 0.885,538 1.05,539 0.84,540 1.034,541 8,542 0.14,543 5.333,544 2.938,545 2.218,546 1.639,547 0.812,548 0.578,549 0.603,550 0.211,551 10466,552 45056,553 1.948,554 31.8,556 9,558 1,559 4,564 1.731,565 1.756,566 3.422,567 1.763,569 1,573 90.734,574 2.062,575 4.018,576 4.754,577 5.215,578 5.26,579 5.26,580 2.864,581 4.548,582 4.88,583 3.592,584 1562.64,585 8.529,586 21321.5,591 240.215,592 1.731,593 4.788,594 0.25,595 0.007,596 0.113,597 0.056,598 0.046,599 0.036,600 0.018,601 0.015,602 0.018,603 0.007,604 0.567,605 0.17,606 0.88,607 0.999,608 152.912,609 -0.052,610 -0.066,611 0.047,612 -0.031,613 -0.181,614 0.065,615 0.134,616 0.039,617 0.038,618 0.114,619 0.165,620 0.091,621 -0.03,622 -0.038,623 0.115,624 0.067,625 -0.044,626 0.018,627 -0.095,628 -0.016,629 -0.137,630 -0.133,631 -0.072,632 -0.178,633 -0.223,634 -0.003,635 -0.062,636 0.001,637 -0.16,638 0.007,639 0.002,640 0.04,641 -0.003,642 -0.007,643 0.009,644 -0.026,645 -0.056,646 0.067,647 0.053,648 0.126,649 -0.107,650 0.033,651 0.025,652 -0.266,653 0.163,654 -0.05,655 -0.067,656 0.037,657 5.047,658 5.928,659 0.6,660 27.778,661 1.042,662 1.122,663 2.242,664 5.029,665 0.754,666 3.497,667 3.871,668 4.127,669 4.331,670 4.543,671 4.595,672 4.654,673 4.762,674 4.86,675 4.852,676 6.594,677 0.729,678 486.79,679 3.497,680 5.069,681 5.927,682 6.823,683 7.699,684 8.598,685 9.48,686 10.38,687 11.264,688 12.165,689 11.4,693 1,694 1,696 1,699 2,704 7,705 2,709 9,711 18,718 1,722 1,730 3,731 44,733 21,734 2,735 32,737 46,738 18,739 16,740 6,741 6,742 1,746 3,747 3,748 3,761 17,762 1,766 3,769 1,771 3,775 1,781 14,782 8,783 4,784 12,785 4,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 3,848 30,849 1,852 1,855 2,869 3,870 6.8,873 3,877 17.083,878 8.162,879 6.542,880 2.254,881 3.372,882 1.457,883 0.996,884 6.745,885 10.755,886 3.807,887 4.483,888 5.026,889 5.567,890 6.106,891 6.362,892 6.713,893 7.082,894 7.457,895 7.729,896 1,897 52,898 11.404,900 5.309,901 8.231,902 19.98,904 16.196,905 2.731,906 81.917,910 117.711,911 110.65,912 100.884,913 117.446,914 69.458,916 5.807,917 104.842,918 304.615,919 100.884,920 8.396,921 18.011,922 95.562,923 135.91,924 32.556,925 2.328,926 105.94,927 117.446,928 117.711,929 205.726,930 69.458,931 123.253,933 117.711,934 69.458,937 32.572,938 123.178,939 173.229,941 117.711,942 170.342,943 228.096,945 5.807,946 117.711,947 30.541,948 74.301,949 34.416,950 253.372,951 117.711,952 170.342,953 228.096,955 0.6,956 0.359,957 0.177,958 0.094,959 22,960 12,961 0.109,962 5,964 1,965 3.867,966 268.822,968 18,969 145.207,973 1,974 22.591,975 8.956,976 4.818,978 170.342,979 10.099,980 8.132,984 0.531,986 67.313,987 516.148,988 44,991 -4.13,993 37.772,997 -0.527,999 45.84,1000 49.363,1001 0.378,1002 0.736,1003 0.871,1004 0.955,1005 0.964,1006 0.964,1007 5.066,1008 1.414,1009 5.979,1010 5.188,1011 4.554,1012 5.17,1013 1.176,1014 6.864,1015 4.402,1016 6.342,1017 1.414,1018 7.605,1019 4.056,1020 4.443,1021 5.33,1023 8.093,1024 4.167,1025 7.713,1026 1.162,1027 9.34,1028 3.206,1029 6.275,1030 7.522,1031 1.255,1032 11.144,1033 5.987,1034 9.124,1035 1.127,1036 11.138,1037 3.152,1038 6.929,1039 8.443,1041 13.165,1042 6.508,1043 10.566,1044 0.376,1045 12.976,1046 2.758,1047 8.321,1048 10.198,1049 1.338,1050 15.831,1051 7.878,1052 12.031,1053 0.27,1054 14.843,1055 0.892,1056 9.289,1057 11.444,1059 18.162,1060 8.721,1061 13.514,1062 0.054,1063 16.732,1064 0.429,1065 10.54,1066 13.049,1067 1.422,1068 20.726,1069 9.925,1070 3.452,1071 -0.211,1072 18.637,1073 0.108,1074 11.641,1075 14.444,1077 23.185,1078 10.912,1079 3.037,1080 12.925,1081 20.556,1082 -0.499,1083 12.85,1084 15.995,1085 1.51,1086 25.727,1087 12.052,1088 2.915,1089 9.921,1090 22.487,1091 4.757,1092 14.01,1093 17.461,1095 28.24,1096 13.104,1097 2.681,1098 9.394,1099 24.427,1100 4.078,1101 15.211,1102 18.998,1103 1.599,1104 30.784,1105 14.223,1106 2.272,1107 8.761,1108 26.376,1109 3.962,1110 16.399,1111 20.501,1113 33.32,1114 15.307,1115 1.973,1116 6.974,1117 28.332,1118 3.619,1119 17.604,1120 22.036,1121 1.69,1122 35.869,1123 16.42,1124 1.879,1125 5.461,1126 30.294,1127 3.078,1128 18.807,1129 23.559,1131 38.416,1132 17.52,1133 10435,1134 21844,1135 19.997,1136 33.182,1137 48.193,1138 51.989,1139 51.823,1140 48.278,1141 48.053,1142 65.402,1143 2.117,1144 146.449,1145 44.073,1146 5.738,1147 6.716,1148 6.952,1149 5.44,1150 5.452,1151 7.757,1152 2.117,1153 20.727,1154 5.129,1155 20.033,1156 1.506,1157 1.625,1158 1.619,1159 1.509,1160 1.502,1161 2.044,1162 0.066,1163 4.577,1164 1.377,1165 4.11,1166 4.097,1167 4.746,1168 4.095,1169 7.717,1170 4.023,1171 3.911,1172 3.938,1173 4.099,1174 3.842,1175 7.429,1176 3.835,1177 3.83,1178 3.842,1179 3.951,1180 3.718,1181 6.999,1182 3.709,1183 3.585,1184 3.581,1185 3.795,1186 3.49,1187 5.184,1188 3.438,1189 3.423,1190 3.495,1191 3.405,1192 3.167,1193 5.039,1194 3.187,1195 3.058,1196 3.132,1197 3.403,1198 2.905,1199 4.901,1200 2.899,1201 2.917,1202 2.989,1203 3.251,1204 2.838,1205 4.644,1206 2.806,1207 2.899,1208 2.924,1209 3.222,1210 2.771,1211 4.491,1212 2.756,1213 0.153,1214 0.147,1215 0.232,1216 0.136,1217 0.108,1218 4.899,1219 0.149,1220 4.716,1221 0.033,1222 7.408,1223 0.404,1224 4.367,1225 0.098,1226 3.452,1227 4.757,1228 1.058,1229 12.925,1230 3.129,1231 1.993,1232 2,1233 1.991,1234 2.068,1235 1.205,1236 2.085,1237 1.869,1238 1.85,1239 1.925,1240 1.969,1241 1.051,1242 1.967,1243 1.725,1244 1.704,1245 1.774,1246 1.871,1247 0.795,1248 1.872,1249 1.431,1250 1.45,1251 1.637,1252 1.67,1253 0.667,1254 1.676,1255 1.334,1256 1.26,1257 1.24,1258 1.549,1259 0.537,1260 1.582,1261 1.014,1262 0.962,1263 1.219,1264 1.261,1265 0.238,1266 1.261,1267 0.848,1268 0.827,1269 1.071,1270 1.16,1271 0.149,1272 1.138,1273 0.847,1274 0.804,1275 1.06,1276 1.019,1277 0.078,1278 1.045,1279 4.174,1281 5.533,1283 7.089,1285 8.731,1287 10.414,1289 1.426,1290 18.145,1293 5.695,1296 4.773,1305 32.082,1306 90.734,1307 176.789,1308 209.195,1309 229.46,1310 231.46,1311 231.46,1312 89.639,1313 7.383,1314 127.07,1315 135.45,1316 18,1317 12.69,1318 4.459,1319 3.7,1320 55.154,1321 118,1322 116,1323 0.229,1324 214.068,1325 369.29,1326 514.086,1327 15391,1328 6.8,1329 22.052,1330 0.735,1331 0.612,1332 23.802,1333 18.364,1334 14.135,1335 0.442,1336 0.34,1337 8.348,1338 12.077,1339 7.931,1340 6.561,1341 15.822,1342 10.868,1343 13.477,1344 0.287,1345 0.186,1346 15.833,1347 8.763,1348 11.244,1349 0.184,1350 0.109,1351 13.739,1352 6.621,1353 8.594,1354 0.115,1355 0.06,1356 10.797,1357 4.476,1358 6.749,1359 0.073,1360 0.032,1361 8.562,1362 3.016,1363 0.356,1364 106.215,1365 0.224,1366 27.998,1367 0.641,1368 158,1369 571.945,1370 255.925,1371 664.339,1372 857.63,1373 606,1374 187,1375 524.863,1376 293.196,1377 597.809,1378 875.36,1379 558,1380 6.256}
{0 CHEMBL2152251,1 2.004,2 10.966,3 2.276,4 5.18,5 103.673,6 9.533,7 0.581,8 3.921,9 4.016,10 3.808,11 3.478,12 5.221,13 3.483,14 4.398,15 4.521,16 4.116,17 3.822,18 5.944,19 3.829,20 4.635,21 4.781,22 4.264,23 3.937,24 6.249,25 3.938,26 4.681,27 4.835,28 4.222,29 3.891,30 6.222,31 3.89,32 4.643,33 4.801,34 4.172,35 3.853,36 6.258,37 3.862,38 4.575,39 4.728,40 4.05,41 3.817,42 6.242,43 3.811,44 4.56,45 4.752,46 3.884,47 3.754,48 5.977,49 3.721,50 4.442,51 4.641,52 3.836,53 3.619,54 5.762,55 3.59,56 0.237,57 0.849,58 7.507,59 3.932,60 39.861,61 3.522,62 0.576,63 1.28,64 12.161,65 6.382,66 79.608,67 6.306,68 0.923,69 1.679,70 19.05,71 8.445,72 134.764,73 7.954,74 1.023,75 1.527,76 22.781,77 8.581,78 159.875,79 7.256,80 1.086,81 1.395,82 23.142,83 8.001,84 193.859,85 7.062,86 0.943,87 1.295,88 18.4,89 7.341,90 153.577,91 7.253,92 0.839,93 1.27,94 18.556,95 7.597,96 125.21,97 8.108,98 0.658,99 1.18,100 18.413,101 6.998,102 106.275,103 7.862,104 52,105 45,106 0.342,107 0.674,108 0.806,109 0.89,110 0.898,111 0.898,112 3.408,113 0.932,114 -3.02,115 -3.02,116 -2.91,119 40.9,124 1,142 7,143 1,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 6,174 1,175 1,177 1,178 4,180 1,183 5,186 2,187 7,189 1,190 2,192 3,195 2,198 1,199 9,201 1,202 2,203 1,204 3,206 1,212 7,217 3,220 2,222 1,223 2,224 5,227 1,229 4,232 4,234 2,236 2,237 1,240 1,242 2,245 5,247 1,250 2,255 2,258 3,260 1,262 2,263 2,265 2,266 5,267 2,270 1,271 1,275 1300,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.246,282 14.089,283 10.751,284 19.343,285 15.151,286 15.151,287 15.151,288 15.151,289 15.151,290 11.09,291 9.98,292 4.949,293 15.904,294 3.455,295 1.509,296 0.737,297 0.244,298 0.199,299 0.199,300 4.081,304 1,305 1,306 663,307 3.873,311 302.557,318 1.762,319 61.752,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 66.5,331 318,332 4.865,333 4.687,334 7.316,335 4.33,336 3.408,337 4.717,338 1.058,339 12.556,340 3.119,341 4.405,342 3.583,343 6.447,344 4.004,345 3.036,346 4.075,348 9.919,349 2.932,350 4.29,351 3.377,352 6.326,353 3.843,354 2.903,355 3.958,357 9.347,358 2.722,359 4.036,360 2.862,361 6.072,362 3.66,363 2.672,364 3.556,366 8.745,367 2.62,368 3.451,369 2.487,370 5.131,371 2.998,372 2.028,373 2.79,375 5.85,376 1.958,377 3.295,378 2.402,379 4.882,380 2.885,381 1.939,382 2.533,384 5.252,385 1.823,386 3.214,387 1.908,388 4.773,389 2.733,390 1.765,391 2.462,393 4.988,394 1.694,395 2.866,396 1.749,397 4.272,398 2.384,399 1.414,400 2.029,402 3.605,403 1.36,404 2.736,405 1.374,406 3.871,407 2.222,408 1.245,409 1.826,411 3.18,412 1.212,413 2.579,414 1.313,415 3.815,416 2.077,417 1.127,418 1.611,420 2.759,421 1.076,422 2.576,423 1.122,424 3.494,425 2.053,426 1.085,427 1.571,428 2.495,429 1.039,430 1.554,431 1.087,432 3.235,433 1.222,434 0.369,435 0.415,436 0.873,437 0.305,438 1.484,439 1.046,440 2.731,441 1.216,442 0.259,443 0.297,445 0.379,446 0.244,447 1.272,448 0.211,449 2.647,450 0.854,451 -0.108,452 -0.139,454 -0.226,455 -0.103,456 1.107,457 0.177,458 2.566,459 0.7,460 -0.223,461 -0.282,463 -0.536,464 -0.202,465 13.405,466 0.462,467 0.948,468 0.033,469 42.25,470 1.457,471 23.5,472 0.81,473 18.75,474 0.647,475 19.655,476 0.678,477 31.595,478 0.718,479 37.097,480 1.279,481 8.608,482 0.297,483 5.117,484 0.176,485 0.184,486 0.062,487 0.336,491 2,493 0.609,494 1.072,495 0.752,496 1.144,497 0.654,498 0.83,499 0.627,500 1.022,501 0.766,502 0.969,503 0.609,504 0.87,505 0.864,506 1.007,507 0.971,508 1.089,509 0.853,510 0.978,511 1.226,512 0.989,513 1.212,514 1.084,515 1.262,516 1.017,517 1.126,518 0.937,519 1.11,520 1.007,521 1.113,522 0.913,523 0.834,524 0.896,525 1.03,526 1.042,527 0.821,528 1.069,529 0.959,530 0.893,531 0.89,532 0.87,533 0.976,534 1.031,535 0.898,536 1.164,537 0.833,538 1.156,539 0.923,540 1.11,541 7.5,542 0.14,543 4.889,544 2.5,545 2.027,546 1.472,547 0.651,548 0.484,549 0.489,550 0.191,551 9841,552 39609,553 1.965,554 34.1,556 10,558 1,559 4,564 1.721,565 1.785,566 3.439,567 1.766,568 1,569 1,573 88.188,574 2.004,575 3.95,576 4.723,577 5.215,578 5.26,579 5.26,580 2.879,581 4.651,582 4.831,583 3.602,584 1462.25,585 8.422,586 19639.7,588 1,590 1,591 240.215,592 1.713,593 4.748,594 0.242,595 0.007,596 0.109,597 0.051,598 0.046,599 0.034,600 0.016,601 0.014,602 0.016,603 0.007,604 0.543,605 0.17,606 1,607 0.998,608 146.795,609 -0.041,610 -0.072,611 0.142,612 -0.033,613 -0.129,614 0.066,615 0.099,616 -0.067,617 0.062,618 0.017,619 0.092,620 0.032,621 0.056,622 0.019,623 0.009,624 -0.049,625 0.063,626 -0.044,627 -0.188,628 -0.003,629 -0.139,630 -0.032,631 -0.187,632 -0.094,633 -0.109,634 0.002,635 -0.066,636 0.022,637 -0.048,638 0.029,639 0.053,640 -0.016,641 -0.125,642 -0.086,643 0.102,644 -0.131,645 -0.085,646 -0.034,647 -0.016,648 0.03,649 -0.1,650 -0.021,651 -0.036,652 -0.234,653 0.147,654 -0.171,655 -0.087,656 -0.043,657 5.148,658 5.814,659 0.621,660 26.844,661 1.043,662 1.141,663 1.792,664 3.211,665 0.693,666 3.466,667 3.829,668 4.078,669 4.263,670 4.489,671 4.511,672 4.575,673 4.654,674 4.736,675 4.745,676 6.617,677 0.69,678 419.45,679 3.466,680 5.03,681 5.883,682 6.772,683 7.643,684 8.533,685 9.41,686 10.301,687 11.181,688 12.072,689 11.4,693 1,694 1,696 1,699 2,704 8,705 2,709 8,711 18,718 1,722 1,730 2,731 44,733 21,734 2,735 31,737 46,738 18,739 16,740 5,741 7,742 1,746 3,747 3,761 17,762 1,766 3,769 1,771 3,775 1,778 1,779 2,781 15,782 10,783 4,784 11,785 1,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,846 2,848 29,849 1,852 1,855 2,869 2,870 6.8,873 3,877 16.25,878 8.102,879 6.347,880 2.267,881 3.406,882 1.465,883 1.003,884 5.779,885 10.73,886 3.784,887 4.449,888 4.985,889 5.511,890 6.064,891 6.29,892 6.655,893 6.983,894 7.345,895 7.635,896 1,897 49,898 11.184,900 5.361,901 8.463,902 19.14,904 15.498,905 2.963,906 85.917,910 129.482,911 127.866,912 100.884,914 69.458,915 29.92,916 5.807,917 122.059,918 198.94,919 130.804,920 8.396,921 18.011,922 105.038,923 135.91,924 40.296,925 32.248,926 117.711,928 129.482,929 222.943,930 99.378,931 5.807,933 159.402,934 69.458,937 32.572,938 140.395,939 55.783,941 159.402,942 170.342,943 127.866,945 5.807,946 129.482,947 38.281,948 83.778,949 34.416,950 165.846,951 129.482,952 200.262,953 127.866,955 0.596,956 0.356,957 0.173,958 0.094,959 21,960 11,961 0.109,962 5,964 1,965 3.843,966 253.602,968 18,969 138.881,973 1,974 20.651,975 8.115,976 4.341,978 200.262,979 9.947,980 8.025,984 -2.914,986 67.313,987 457.61,988 43,991 -4.231,993 37.049,997 -0.552,999 45.894,1000 50.21,1001 0.367,1002 0.724,1003 0.865,1004 0.955,1005 0.964,1006 0.964,1007 5.034,1008 1.414,1009 5.927,1010 4.988,1011 4.511,1012 5.136,1013 1.176,1014 6.799,1015 4.412,1016 6.302,1017 1.245,1018 7.545,1019 3.605,1020 4.369,1021 5.263,1023 8.019,1024 4.186,1025 7.668,1026 1.127,1027 9.273,1028 3.18,1029 6.221,1030 7.477,1031 1.255,1032 11.051,1033 6.008,1034 9.074,1035 1.085,1036 11.066,1037 2.759,1038 6.858,1039 8.379,1041 13.059,1042 6.541,1043 10.513,1044 0.369,1045 12.9,1046 2.495,1047 8.258,1048 10.146,1049 1.338,1050 15.697,1051 7.908,1052 11.976,1053 0.259,1054 14.762,1055 0.873,1056 9.214,1057 11.38,1059 18.004,1060 8.758,1061 13.456,1062 -0.108,1063 16.645,1064 0.379,1065 10.464,1066 12.988,1067 1.422,1068 20.535,1069 9.958,1070 3.408,1071 -0.223,1072 18.544,1073 -0.226,1074 11.553,1075 14.373,1077 22.963,1078 10.947,1079 3.036,1080 12.556,1081 20.455,1082 -0.536,1083 12.756,1084 15.922,1085 1.51,1086 25.472,1087 12.083,1088 2.903,1089 9.919,1090 22.377,1091 4.717,1092 13.902,1093 17.379,1095 27.952,1096 13.133,1097 2.672,1098 9.347,1099 24.307,1100 4.075,1101 15.094,1102 18.91,1103 1.599,1104 30.462,1105 14.247,1106 2.028,1107 8.745,1108 26.245,1109 3.958,1110 16.268,1111 20.403,1113 32.965,1114 15.327,1115 1.939,1116 5.85,1117 28.19,1118 3.556,1119 17.461,1120 21.931,1121 1.69,1122 35.481,1123 16.435,1124 1.765,1125 5.252,1126 30.139,1127 2.79,1128 18.649,1129 23.445,1131 37.997,1132 17.53,1133 9776,1134 19798,1135 19.592,1136 30.483,1137 46.641,1138 49.628,1139 49.591,1140 46.511,1141 46.501,1142 63.676,1143 2.117,1144 139.896,1145 44.206,1146 5.7,1147 6.687,1148 6.86,1149 5.401,1150 5.408,1151 7.717,1152 2.117,1153 20.061,1154 5.119,1155 18.447,1156 1.505,1157 1.601,1158 1.6,1159 1.5,1160 1.5,1161 2.054,1162 0.068,1163 4.513,1164 1.426,1165 4.108,1166 4.1,1167 4.737,1168 4.085,1169 8.239,1170 4.014,1171 3.916,1172 3.947,1173 3.915,1174 3.811,1175 8.161,1176 3.82,1177 3.833,1178 3.85,1179 3.855,1180 3.711,1181 7.717,1182 3.704,1183 3.585,1184 3.583,1185 3.633,1186 3.481,1187 7.429,1188 3.433,1189 3.422,1190 3.496,1191 3.32,1192 3.16,1193 6.999,1194 3.181,1195 3.05,1196 3.134,1197 2.925,1198 2.878,1199 5.182,1200 2.876,1201 2.93,1202 2.989,1203 2.878,1204 2.734,1205 4.763,1206 2.751,1207 2.917,1208 2.981,1209 2.834,1210 2.73,1211 4.572,1212 2.737,1213 0.157,1214 0.151,1215 0.236,1216 0.14,1217 0.11,1218 4.865,1219 0.152,1220 4.687,1221 0.034,1222 7.316,1223 0.405,1224 4.33,1225 0.101,1226 3.408,1227 4.717,1228 1.058,1229 12.556,1230 3.119,1231 1.996,1232 1.999,1233 2.019,1234 2.078,1235 1.202,1236 2.096,1237 1.864,1238 1.84,1239 1.944,1240 1.992,1241 1.028,1242 1.977,1243 1.727,1244 1.703,1245 1.788,1246 1.89,1247 0.796,1248 1.882,1249 1.43,1250 1.448,1251 1.644,1252 1.672,1253 0.667,1254 1.676,1255 1.335,1256 1.259,1257 1.26,1258 1.557,1259 0.537,1260 1.588,1261 1.021,1262 0.96,1263 1.228,1264 1.272,1265 0.265,1266 1.274,1267 0.844,1268 0.793,1269 1.075,1270 1.16,1271 0.143,1272 1.139,1273 0.828,1274 0.786,1275 1.061,1276 1.074,1277 0.035,1278 1.053,1279 4.143,1281 5.493,1283 7.041,1285 8.673,1287 10.345,1289 1.403,1291 27.153,1293 5.649,1296 4.387,1305 30.366,1306 88.188,1307 173.809,1308 207.809,1309 229.46,1310 231.46,1311 231.46,1312 94.694,1313 7.324,1314 127.07,1315 135.45,1316 18,1317 12.602,1318 4.459,1319 3.7,1320 52.412,1321 116,1322 108,1323 0.224,1324 191.466,1325 335.8,1326 458.937,1327 14636,1328 4.5,1329 21.181,1330 0.73,1331 0.545,1332 19.691,1333 15.796,1334 13.724,1335 0.443,1336 0.311,1337 8.102,1338 12.265,1339 7.83,1340 6.501,1341 13.724,1342 9.629,1343 12.944,1344 0.288,1345 0.166,1346 13.221,1347 7.485,1348 10.824,1349 0.187,1350 0.09,1351 10.791,1352 5.242,1353 8.103,1354 0.116,1355 0.051,1356 8.621,1357 3.537,1358 6.556,1359 0.075,1360 0.028,1361 7.082,1362 2.478,1363 0.349,1364 95.956,1365 0.226,1366 27.338,1367 0.619,1368 152,1369 657.557,1370 211.029,1371 602.302,1372 785.62,1373 550,1374 179,1375 529.942,1376 247.051,1377 560.245,1378 817.81,1379 523,1380 5.625}
{0 CHEMBL2152252,1 2.125,2 10.933,3 2.94,4 8.645,5 108.478,6 10.316,7 0.563,8 3.927,9 4.015,10 3.869,11 3.504,12 5.241,13 3.508,14 4.406,15 4.52,16 4.205,17 3.858,18 5.968,19 3.864,20 4.648,21 4.779,22 4.44,23 4.002,24 6.271,25 3.992,26 4.701,27 4.832,28 4.413,29 3.947,30 6.337,31 3.951,32 4.652,33 4.8,34 4.26,35 3.896,36 6.278,37 3.901,38 4.589,39 4.726,40 4.239,41 3.883,42 6.282,43 3.878,44 4.585,45 4.748,46 4.183,47 3.844,48 6.102,49 3.815,50 4.462,51 4.638,52 4.09,53 3.7,54 5.88,55 3.675,56 0.271,57 0.837,58 5.805,59 3.881,60 44.367,61 3.171,62 0.634,63 1.26,64 10.302,65 6.36,66 86.003,67 5.916,68 1.017,69 1.649,70 20.29,71 8.787,72 149.233,73 7.514,74 1.193,75 1.501,76 23.908,77 9.001,78 175.585,79 6.798,80 1.177,81 1.38,82 22.405,83 8.364,84 204.368,85 6.64,86 1.029,87 1.265,88 17.039,89 7.585,90 164.94,91 6.805,92 1.018,93 1.21,94 20.852,95 8.077,96 141.892,97 7.766,98 0.817,99 1.133,100 19.614,101 7.48,102 122.244,103 7.697,104 67,105 47,106 0.363,107 0.707,108 0.83,109 0.898,110 0.898,111 0.898,112 3.441,113 0.948,114 -3.25,115 -3.24,116 -3.11,119 40.9,124 1,142 6,143 1,144 5,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 4,180 1,183 4,186 2,187 5,189 1,190 2,192 2,195 3,198 1,199 11,201 1,202 2,203 1,204 4,206 1,207 1,212 6,217 3,220 1,222 1,223 2,224 5,227 1,229 4,232 4,234 2,236 2,237 2,240 1,242 2,245 5,247 1,250 1,258 4,262 2,263 3,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1460,276 19.394,277 19.394,278 19.394,279 19.394,280 19.394,281 16.693,282 14.778,283 10.937,284 19.948,285 15.622,286 15.622,287 15.622,288 15.622,289 15.622,290 11.482,291 10.292,292 5.033,293 16.611,294 3.335,295 1.316,296 0.597,297 0.199,298 0.199,299 0.199,300 4.112,301 1,304 1,305 1,306 682,307 3.937,311 314.335,318 1.738,319 66.396,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 68.833,331 328,332 4.899,333 4.716,334 7.408,335 4.367,336 3.452,337 4.757,338 1.058,339 12.925,340 3.134,341 4.407,342 3.583,343 6.447,344 4.004,345 3.037,346 4.078,348 9.921,349 2.932,350 4.296,351 3.379,352 6.336,353 3.854,354 2.915,355 3.962,357 9.394,358 2.73,359 4.063,360 2.921,361 6.079,362 3.665,363 2.681,364 3.619,366 8.761,367 2.62,368 3.679,369 2.756,370 5.555,371 3.189,372 2.272,373 3.078,375 6.974,376 2.042,377 3.353,378 2.443,379 4.981,380 2.931,381 1.973,382 2.578,384 5.461,385 1.865,386 3.247,387 2.389,388 4.875,389 2.812,390 1.879,391 2.496,393 5.188,394 1.731,395 2.866,396 1.825,397 4.37,398 2.384,399 1.414,400 2.029,402 4.056,403 1.36,404 2.862,405 1.552,406 4.151,407 2.355,408 1.414,409 2.019,411 3.206,412 1.298,413 2.66,414 1.358,415 3.866,416 2.147,417 1.162,418 1.715,420 3.152,421 1.134,422 2.578,423 1.313,424 3.815,425 2.053,426 1.127,427 1.571,428 2.758,429 1.039,430 1.555,431 1.087,432 3.278,433 1.23,434 0.376,435 0.422,436 0.892,437 0.31,438 1.49,439 1.048,440 2.826,441 1.219,442 0.27,443 0.31,445 0.429,446 0.251,447 1.39,448 0.643,449 2.732,450 0.953,451 0.054,452 0.067,454 0.108,455 0.042,456 1.108,457 0.195,458 2.601,459 0.705,460 -0.211,461 -0.265,463 -0.499,464 -0.187,465 14.119,466 0.471,467 1.037,468 0.035,469 43,470 1.433,471 23.5,472 0.783,473 19.5,474 0.65,475 22.174,476 0.739,477 32.681,478 0.743,479 38.476,480 1.283,481 8.696,482 0.29,483 5.439,484 0.181,485 0.226,486 0.059,487 0.354,491 2,493 0.619,494 1.067,495 0.666,496 1.067,497 0.661,498 0.784,499 0.645,500 1.015,501 0.695,502 0.891,503 0.617,504 0.811,505 0.895,506 0.995,507 0.858,508 0.98,509 0.889,510 0.926,511 1.161,512 0.995,513 1.237,514 1.169,515 1.208,516 1.052,517 1.142,518 0.932,519 1.049,520 0.972,521 1.131,522 0.901,523 0.845,524 0.888,525 0.954,526 0.967,527 0.832,528 0.987,529 0.959,530 0.897,531 1.051,532 0.921,533 0.967,534 1.023,535 0.885,536 1.165,537 0.897,538 1.145,539 0.905,540 1.069,541 8,542 0.14,543 5.333,544 2.938,545 2.218,546 1.639,547 0.812,548 0.578,549 0.603,550 0.211,551 10466,552 45056,553 1.948,554 31.8,556 9,558 1,559 4,564 1.731,565 1.756,566 3.422,567 1.763,569 1,573 93.489,574 2.125,575 4.143,576 4.863,577 5.26,578 5.26,579 5.26,580 2.864,581 4.548,582 4.88,583 3.592,584 1562.64,585 8.529,586 21321.5,588 1,591 240.215,592 1.731,593 4.788,594 0.25,595 0.007,596 0.113,597 0.056,598 0.046,599 0.036,600 0.018,601 0.015,602 0.018,603 0.007,604 0.567,605 0.17,606 1,607 0.999,608 152.912,609 -0.05,610 -0.07,611 0.088,612 -0.032,613 -0.129,614 0.067,615 0.077,616 -0.061,617 0.053,618 0.05,619 0.088,620 0.064,621 0.021,622 0.03,623 0.09,624 0.04,625 0.026,626 -0.008,627 -0.12,628 -0.01,629 -0.133,630 -0.114,631 -0.135,632 -0.144,633 -0.146,634 0.008,635 -0.093,636 0.042,637 -0.074,638 0.039,639 0.045,640 -0.01,641 -0.042,642 -0.018,643 0.092,644 -0.058,645 -0.044,646 -0.042,647 0.008,648 0.011,649 -0.08,650 -0.015,651 0.011,652 -0.238,653 0.179,654 -0.145,655 -0.058,656 0.003,657 5.31,658 5.881,659 0.6,660 27.778,661 1.05,662 1.14,663 2.019,664 4.078,665 0.712,666 3.497,667 3.871,668 4.127,669 4.331,670 4.543,671 4.595,672 4.654,673 4.762,674 4.86,675 4.852,676 6.594,677 0.709,678 453.89,679 3.497,680 5.069,681 5.927,682 6.823,683 7.699,684 8.598,685 9.48,686 10.38,687 11.264,688 12.165,689 11.4,693 1,694 1,696 1,699 2,704 7,705 2,709 9,711 18,718 1,722 1,730 3,731 44,733 21,734 2,735 32,737 46,738 18,739 16,740 6,741 6,742 1,746 3,747 3,748 1,761 17,762 1,766 3,769 1,771 3,775 1,778 1,779 2,781 14,782 10,783 4,784 12,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 1,845 1,846 2,848 30,849 1,852 1,855 2,869 3,870 6.8,873 3,877 17.083,878 8.162,879 6.542,880 2.254,881 3.372,882 1.457,883 1.001,884 6.222,885 10.755,886 3.807,887 4.483,888 5.026,889 5.567,890 6.106,891 6.362,892 6.713,893 7.082,894 7.457,895 7.729,896 1,897 52,898 11.626,900 5.65,901 8.49,902 19.701,904 15.98,905 2.99,906 89.694,909 1,910 117.711,911 121.89,912 100.884,913 39.149,914 69.458,915 29.92,916 5.807,917 116.083,918 226.318,919 130.804,920 8.396,921 18.011,922 95.562,923 135.91,924 43.797,925 32.248,926 105.94,927 39.149,928 117.711,929 216.967,930 99.378,931 44.956,933 147.631,934 69.458,937 32.572,938 134.419,939 94.932,941 147.631,942 170.342,943 161.039,945 5.807,946 117.711,947 41.782,948 74.301,949 34.416,950 204.995,951 117.711,952 200.262,953 161.039,955 0.6,956 0.359,957 0.177,958 0.094,959 22,960 12,961 0.109,962 5,964 1,965 3.867,966 268.822,968 18,969 145.207,973 1,974 21.906,975 8.521,976 4.54,978 200.262,979 8.22,980 8.001,984 -3.585,986 67.313,987 479.012,988 44,991 -4.394,993 37.354,997 -0.577,999 46.218,1000 50.154,1001 0.389,1002 0.759,1003 0.891,1004 0.964,1005 0.964,1006 0.964,1007 5.066,1008 1.414,1009 5.979,1010 5.188,1011 4.554,1012 5.17,1013 1.176,1014 6.864,1015 4.431,1016 6.342,1017 1.414,1018 7.605,1019 4.056,1020 4.443,1021 5.33,1023 8.093,1024 4.222,1025 7.713,1026 1.162,1027 9.34,1028 3.206,1029 6.275,1030 7.522,1031 1.255,1032 11.144,1033 6.029,1034 9.124,1035 1.127,1036 11.138,1037 3.152,1038 6.929,1039 8.443,1041 13.165,1042 6.57,1043 10.566,1044 0.376,1045 12.976,1046 2.758,1047 8.321,1048 10.198,1049 1.338,1050 15.831,1051 7.931,1052 12.031,1053 0.27,1054 14.843,1055 0.892,1056 9.289,1057 11.444,1059 18.162,1060 8.786,1061 13.514,1062 0.054,1063 16.732,1064 0.429,1065 10.54,1066 13.049,1067 1.422,1068 20.726,1069 9.985,1070 3.452,1071 -0.211,1072 18.637,1073 0.108,1074 11.641,1075 14.444,1077 23.185,1078 10.977,1079 3.037,1080 12.925,1081 20.556,1082 -0.499,1083 12.85,1084 15.995,1085 1.51,1086 25.727,1087 12.115,1088 2.915,1089 9.921,1090 22.487,1091 4.757,1092 14.01,1093 17.461,1095 28.24,1096 13.169,1097 2.681,1098 9.394,1099 24.427,1100 4.078,1101 15.211,1102 18.998,1103 1.599,1104 30.784,1105 14.286,1106 2.272,1107 8.761,1108 26.376,1109 3.962,1110 16.399,1111 20.501,1113 33.32,1114 15.37,1115 1.973,1116 6.974,1117 28.332,1118 3.619,1119 17.604,1120 22.036,1121 1.69,1122 35.869,1123 16.482,1124 1.879,1125 5.461,1126 30.294,1127 3.078,1128 18.807,1129 23.559,1131 38.416,1132 17.581,1133 10435,1134 21844,1135 19.997,1136 31.341,1137 48.193,1138 51.932,1139 51.823,1140 48.161,1141 48.053,1142 65.402,1143 2.117,1144 146.449,1145 44.975,1146 5.738,1147 6.716,1148 6.952,1149 5.44,1150 5.452,1151 7.757,1152 2.117,1153 20.727,1154 5.134,1155 20.033,1156 1.506,1157 1.623,1158 1.619,1159 1.505,1160 1.502,1161 2.044,1162 0.066,1163 4.577,1164 1.405,1165 4.111,1166 4.1,1167 4.745,1168 4.092,1169 8.239,1170 4.021,1171 3.916,1172 3.947,1173 3.953,1174 3.813,1175 8.161,1176 3.821,1177 3.834,1178 3.85,1179 3.859,1180 3.712,1181 7.717,1182 3.707,1183 3.587,1184 3.583,1185 3.787,1186 3.488,1187 7.429,1188 3.436,1189 3.423,1190 3.496,1191 3.405,1192 3.166,1193 6.999,1194 3.186,1195 3.058,1196 3.132,1197 3.223,1198 2.904,1199 5.183,1200 2.898,1201 2.93,1202 2.989,1203 2.879,1204 2.734,1205 4.902,1206 2.751,1207 2.917,1208 2.981,1209 2.836,1210 2.73,1211 4.644,1212 2.737,1213 0.153,1214 0.147,1215 0.232,1216 0.136,1217 0.108,1218 4.899,1219 0.149,1220 4.716,1221 0.033,1222 7.408,1223 0.404,1224 4.367,1225 0.098,1226 3.452,1227 4.757,1228 1.058,1229 12.925,1230 3.134,1231 1.993,1232 1.999,1233 1.992,1234 2.071,1235 1.203,1236 2.087,1237 1.864,1238 1.84,1239 1.943,1240 1.992,1241 1.028,1242 1.976,1243 1.725,1244 1.703,1245 1.774,1246 1.881,1247 0.795,1248 1.876,1249 1.43,1250 1.448,1251 1.637,1252 1.671,1253 0.667,1254 1.676,1255 1.334,1256 1.26,1257 1.242,1258 1.554,1259 0.535,1260 1.584,1261 1.014,1262 0.962,1263 1.22,1264 1.261,1265 0.238,1266 1.262,1267 0.844,1268 0.793,1269 1.074,1270 1.16,1271 0.142,1272 1.138,1273 0.828,1274 0.786,1275 1.061,1276 1.074,1277 0.032,1278 1.053,1279 4.174,1281 5.533,1283 7.089,1285 8.731,1287 10.414,1289 1.389,1290 6.028,1291 27.274,1293 5.652,1296 4.332,1305 31.193,1306 93.489,1307 182.299,1308 213.95,1309 231.46,1310 231.46,1311 231.46,1312 104.832,1313 7.383,1314 127.07,1315 135.45,1316 18,1317 12.69,1318 4.459,1319 3.7,1320 55.154,1321 118,1322 116,1323 0.229,1324 199.799,1325 351.01,1326 479.269,1327 15391,1328 6.8,1329 22.052,1330 0.735,1331 0.562,1332 21.061,1333 16.853,1334 14.135,1335 0.442,1336 0.316,1337 8.238,1338 12.413,1339 7.931,1340 6.561,1341 14.423,1342 10.112,1343 13.477,1344 0.287,1345 0.17,1346 14.106,1347 7.978,1348 11.244,1349 0.184,1350 0.095,1351 11.617,1352 5.802,1353 8.594,1354 0.115,1355 0.054,1356 9.775,1357 4.06,1358 6.749,1359 0.073,1360 0.029,1361 7.505,1362 2.666,1363 0.356,1364 101.596,1365 0.224,1366 27.998,1367 0.641,1368 158,1369 691.761,1370 232.548,1371 664.339,1372 857.63,1373 606,1374 187,1375 557.804,1376 271.692,1377 597.809,1378 875.36,1379 558,1380 6.362}
{0 CHEMBL2152253,1 2.011,2 10.933,3 3.221,4 10.375,5 113.303,6 9.573,7 0.563,8 3.973,9 4.069,10 3.862,11 3.558,12 5.219,13 3.542,14 4.46,15 4.592,16 4.192,17 3.919,18 5.937,19 3.899,20 4.681,21 4.817,22 4.413,23 4.078,24 6.114,25 4.042,26 4.794,27 4.941,28 4.4,29 4.056,30 6.351,31 4.02,32 4.759,33 4.935,34 4.243,35 4.009,36 6.11,37 3.965,38 4.705,39 4.856,40 4.236,41 3.962,42 6.333,43 3.935,44 4.623,45 4.79,46 4.145,47 3.941,48 6.004,49 3.874,50 4.577,51 4.766,52 4.091,53 3.833,54 5.875,55 3.759,56 0.204,57 0.805,58 8.016,59 4.182,60 30.723,61 4.035,62 0.537,63 1.209,64 14.35,65 6.965,66 70.571,67 7.44,68 0.649,69 1.479,70 23.19,71 9.296,72 87.295,73 8.953,74 1.098,75 1.555,76 27.947,77 9.8,78 143.23,79 8.772,80 0.843,81 1.433,82 32.504,83 10.364,84 127.037,85 9.949,86 1.077,87 1.285,88 23.703,89 8.619,90 177.745,91 8.45,92 0.72,93 1.182,94 22.031,95 8.511,96 95.313,97 9.279,98 0.686,99 1.136,100 27.731,101 8.771,102 95.632,103 9.974,104 67,105 47,106 0.339,107 0.705,108 0.832,109 0.888,110 0.888,111 0.888,112 3.441,113 0.977,114 -3.36,115 -3.34,116 -3.2,119 40.4,120 1,124 1,142 6,143 2,144 4,145 1,146 2,147 1,158 1,163 1,164 1,165 1,172 6,174 1,175 1,177 1,178 4,180 2,183 6,186 2,187 5,189 1,190 2,192 3,195 6,198 1,199 13,201 1,202 2,203 1,204 4,206 1,207 2,212 8,217 3,220 2,222 1,223 2,224 5,227 1,229 4,232 8,234 2,236 2,237 2,240 1,242 2,245 9,247 1,250 2,258 5,262 2,263 5,265 2,266 5,267 2,268 2,270 1,271 1,273 1,275 1460,276 19.394,277 19.394,278 19.394,279 19.394,280 19.394,281 16.693,282 15.117,283 10.937,284 19.905,285 15.622,286 15.622,287 15.622,288 15.622,289 15.622,290 11.482,291 10.985,292 5.033,293 16.505,294 3.544,295 1.376,296 0.617,297 0.287,298 0.287,299 0.287,300 4.112,301 1,304 1,305 1,306 682,307 3.937,311 314.335,318 1.738,319 56.599,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 67.333,331 328,332 4.899,333 4.716,334 7.408,335 4.368,336 3.452,337 4.757,338 1.058,339 12.925,340 3.142,341 4.407,342 3.583,343 6.447,344 4.005,345 3.037,346 4.078,348 9.921,349 2.936,350 4.296,351 3.243,352 6.336,353 3.881,354 2.915,355 3.962,357 9.394,358 2.803,359 4.063,360 2.92,361 6.079,362 3.667,363 2.681,364 3.619,366 8.761,367 2.636,368 3.679,369 2.755,370 5.555,371 3.189,372 2.272,373 3.078,375 6.974,376 2.044,377 3.353,378 2.443,379 4.981,380 2.931,381 1.973,382 2.578,384 5.461,385 1.865,386 3.247,387 2.366,388 4.875,389 2.812,390 1.879,391 2.496,393 5.188,394 1.731,395 2.866,396 1.573,397 4.37,398 2.414,399 1.414,400 2.029,402 4.056,403 1.414,404 2.862,405 1.526,406 4.151,407 2.355,408 1.414,409 2.019,411 3.206,412 1.298,413 2.66,414 1.355,415 3.866,416 2.147,417 1.162,418 1.715,420 3.152,421 1.134,422 2.578,423 1.312,424 3.815,425 2.053,426 1.127,427 1.571,428 2.758,429 1.039,430 1.555,431 1.087,432 3.278,433 1.308,434 0.376,435 0.422,436 0.892,437 0.343,438 1.49,439 0.936,440 2.826,441 1.221,442 0.27,443 0.31,445 0.429,446 0.251,447 1.39,448 0.636,449 2.732,450 0.954,451 0.054,452 0.067,454 0.108,455 0.042,456 1.108,457 0.194,458 2.601,459 0.72,460 -0.211,461 -0.265,463 -0.499,464 -0.189,465 14.333,466 0.478,467 1.037,468 0.035,469 42.75,470 1.425,471 23.5,472 0.783,473 19.25,474 0.642,475 23.253,476 0.775,477 32.467,478 0.691,479 37.397,480 1.247,481 8.534,482 0.284,483 5.601,484 0.187,485 0.237,486 0.058,487 0.349,491 1,493 0.614,494 1.154,495 0.683,496 1.081,497 0.674,498 0.822,499 0.601,500 1.005,501 0.676,502 0.849,503 0.572,504 0.778,505 0.991,506 1.165,507 0.867,508 1.023,509 0.969,510 0.954,511 1.262,512 1.033,513 1.243,514 1.132,515 1.276,516 1.086,517 1.186,518 0.97,519 1.138,520 1.124,521 1.196,522 0.912,523 1.098,524 0.842,525 0.978,526 0.876,527 1.173,528 0.927,529 0.939,530 0.885,531 1.053,532 0.922,533 0.94,534 1.045,535 0.863,536 1.142,537 1.137,538 1.209,539 0.851,540 1.128,541 8,542 0.14,543 5.333,544 2.938,545 2.218,546 1.639,547 0.812,548 0.578,549 0.603,550 0.211,551 10466,552 40244,553 1.948,554 36.2,555 3,556 9,558 1,559 4,564 1.731,565 1.756,566 3.422,567 1.73,569 1,573 94.504,574 2.011,575 4.179,576 4.937,577 5.267,578 5.267,579 5.267,580 2.864,581 4.548,582 4.88,583 3.592,584 1562.64,585 8.529,586 21321.5,588 1,591 261.066,592 1.731,593 4.788,594 0.25,595 0.007,596 0.113,597 0.056,598 0.046,599 0.036,600 0.018,601 0.015,602 0.018,603 0.007,604 0.567,605 0.17,606 1,607 0.999,608 152.912,609 -0.031,610 -0.069,611 0.104,612 -0.03,613 -0.146,614 0.059,615 0.149,616 0.005,617 0.104,618 0.108,619 0.148,620 0.128,621 -0.08,622 -0.111,623 0.071,624 -0.003,625 -0.062,626 -0.036,627 -0.095,628 0.065,629 -0.158,630 -0.095,631 -0.092,632 -0.187,633 -0.211,634 -0.034,635 -0.069,636 -0.017,637 -0.156,638 0.084,639 0.006,640 0.082,641 -0.055,642 0.074,643 0.041,644 -0.009,645 -0.057,646 -0.03,647 -0.035,648 0.009,649 -0.086,650 -0.064,651 0.035,652 -0.219,653 0.055,654 -0.188,655 -0.038,656 -0.066,657 5.07,658 5.907,659 0.6,660 27.778,661 1.034,662 1.133,663 2.132,664 4.543,665 0.706,666 3.497,667 3.871,668 4.127,669 4.331,670 4.543,671 4.595,672 4.654,673 4.762,674 4.86,675 4.852,676 6.594,677 0.688,678 449.93,679 3.497,680 5.069,681 5.927,682 6.823,683 7.699,684 8.598,685 9.48,686 10.38,687 11.264,688 12.165,689 10.6,693 1,694 1,696 1,699 2,704 7,705 2,709 9,711 18,718 1,722 1,730 2,731 47,733 21,734 2,735 32,737 49,738 19,739 16,740 6,741 6,742 1,746 3,747 3,748 1,752 1,761 17,762 2,766 3,769 1,771 3,775 1,778 1,779 1,781 17,782 9,783 4,784 11,785 2,790 5,794 1,795 3,802 1,812 3,840 3,842 1,844 2,845 1,846 1,848 30,849 1,852 1,855 2,869 2,870 6.4,873 3,877 17.083,878 9.019,879 6.542,880 2.469,881 3.372,882 1.457,883 0.995,884 6.269,885 10.755,886 3.807,887 4.483,888 5.026,889 5.567,890 6.106,891 6.362,892 6.713,893 7.082,894 7.457,895 7.729,896 1,897 52,898 11.476,900 5.372,901 8.29,902 20.055,904 16.254,905 2.79,906 83.694,909 1,910 153.024,911 124.78,912 100.884,913 39.149,914 69.458,915 14.96,916 5.807,917 118.973,918 261.631,919 115.844,920 17.222,921 18.011,922 95.562,923 135.91,924 37.861,925 17.288,926 141.253,927 39.149,928 153.024,929 219.857,930 84.418,931 44.956,933 167.984,934 69.458,937 41.397,938 128.484,939 94.932,941 167.984,942 170.342,943 163.929,945 5.807,946 153.024,947 35.846,948 83.126,949 34.416,950 190.035,951 153.024,952 185.302,953 163.929,955 0.6,956 0.359,957 0.177,958 0.094,959 22,960 12,961 0.102,962 5,964 1,965 3.867,966 268.822,968 18,969 145.207,973 1,974 21.969,975 8.561,976 4.566,978 185.302,979 9.56,980 8.111,984 -0.203,986 67.313,987 502.255,988 44,991 -4.154,993 37.723,997 -0.535,999 48.589,1000 53.23,1001 0.362,1002 0.752,1003 0.889,1004 0.948,1005 0.948,1006 0.948,1007 5.066,1008 1.414,1009 5.979,1010 5.188,1011 4.554,1012 5.17,1013 1.176,1014 6.864,1015 4.445,1016 6.342,1017 1.414,1018 7.605,1019 4.056,1020 4.443,1021 5.33,1023 8.093,1024 4.248,1025 7.713,1026 1.162,1027 9.34,1028 3.206,1029 6.275,1030 7.522,1031 1.255,1032 11.144,1033 6.055,1034 9.124,1035 1.127,1036 11.138,1037 3.152,1038 6.929,1039 8.443,1041 13.165,1042 6.61,1043 10.566,1044 0.376,1045 12.976,1046 2.758,1047 8.321,1048 10.198,1049 1.338,1050 15.831,1051 7.969,1052 12.031,1053 0.27,1054 14.843,1055 0.892,1056 9.289,1057 11.444,1059 18.162,1060 8.835,1061 13.514,1062 0.054,1063 16.732,1064 0.429,1065 10.54,1066 13.049,1067 1.422,1068 20.726,1069 10.033,1070 3.452,1071 -0.211,1072 18.637,1073 0.108,1074 11.641,1075 14.444,1077 23.185,1078 11.034,1079 3.037,1080 12.925,1081 20.556,1082 -0.499,1083 12.85,1084 15.995,1085 1.51,1086 25.727,1087 12.172,1088 2.915,1089 9.921,1090 22.487,1091 4.757,1092 14.01,1093 17.461,1095 28.24,1096 13.231,1097 2.681,1098 9.394,1099 24.427,1100 4.078,1101 15.211,1102 18.998,1103 1.599,1104 30.784,1105 14.349,1106 2.272,1107 8.761,1108 26.376,1109 3.962,1110 16.399,1111 20.501,1113 33.32,1114 15.436,1115 1.973,1116 6.974,1117 28.332,1118 3.619,1119 17.604,1120 22.036,1121 1.69,1122 35.869,1123 16.548,1124 1.879,1125 5.461,1126 30.294,1127 3.078,1128 18.807,1129 23.559,1131 38.416,1132 17.65,1133 10435,1134 20632,1135 19.997,1136 33.165,1137 48.193,1138 51.541,1139 51.823,1140 48.188,1141 48.053,1142 65.402,1143 2.117,1144 146.449,1145 45.357,1146 5.738,1147 6.716,1148 6.952,1149 5.441,1150 5.452,1151 7.757,1152 2.117,1153 20.727,1154 5.142,1155 20.033,1156 1.506,1157 1.611,1158 1.619,1159 1.506,1160 1.502,1161 2.044,1162 0.066,1163 4.577,1164 1.417,1165 4.113,1166 4.103,1167 4.745,1168 4.095,1169 8.201,1170 4.025,1171 3.923,1172 3.956,1173 3.953,1174 3.84,1175 7.717,1176 3.842,1177 3.841,1178 3.856,1179 3.86,1180 3.717,1181 7.429,1182 3.71,1183 3.588,1184 3.585,1185 3.787,1186 3.489,1187 6.999,1188 3.437,1189 3.423,1190 3.496,1191 3.405,1192 3.166,1193 5.183,1194 3.186,1195 3.17,1196 3.257,1197 3.223,1198 3.024,1199 4.903,1200 3,1201 3.058,1202 3.132,1203 2.971,1204 2.904,1205 4.65,1206 2.898,1207 2.917,1208 2.989,1209 2.856,1210 2.733,1211 4.644,1212 2.741,1213 0.153,1214 0.147,1215 0.232,1216 0.137,1217 0.108,1218 4.899,1219 0.149,1220 4.716,1221 0.033,1222 7.408,1223 0.404,1224 4.368,1225 0.098,1226 3.452,1227 4.757,1228 1.058,1229 12.925,1230 3.142,1231 1.997,1232 2.002,1233 2.011,1234 2.074,1235 1.212,1236 2.092,1237 1.895,1238 1.869,1239 1.981,1240 2.005,1241 1.109,1242 1.998,1243 1.727,1244 1.706,1245 1.774,1246 1.886,1247 0.797,1248 1.883,1249 1.431,1250 1.45,1251 1.637,1252 1.672,1253 0.668,1254 1.677,1255 1.334,1256 1.26,1257 1.552,1258 1.556,1259 0.604,1260 1.586,1261 1.207,1262 1.127,1263 1.237,1264 1.418,1265 0.535,1266 1.469,1267 1.014,1268 0.961,1269 1.217,1270 1.261,1271 0.238,1272 1.261,1273 0.842,1274 0.792,1275 1.072,1276 1.16,1277 0.135,1278 1.138,1279 4.174,1281 5.533,1283 7.089,1285 8.731,1287 10.414,1289 2.874,1290 6.121,1291 13.767,1293 5.687,1296 4.742,1305 32.337,1306 94.504,1307 196.395,1308 232.046,1309 247.556,1310 247.556,1311 247.556,1312 95.586,1313 7.383,1314 127.07,1315 135.45,1316 18,1317 12.69,1318 4.459,1319 3.7,1320 55.154,1321 118,1322 116,1323 0.229,1324 208.193,1325 362.24,1326 499.751,1327 15391,1328 4.3,1329 22.052,1330 0.735,1331 0.582,1332 21.931,1333 17.475,1334 14.135,1335 0.442,1336 0.326,1337 8.574,1338 12.515,1339 8.177,1340 6.808,1341 14.834,1342 10.423,1343 13.477,1344 0.287,1345 0.176,1346 14.624,1347 8.289,1348 11.244,1349 0.184,1350 0.1,1351 12.142,1352 6.119,1353 8.594,1354 0.115,1355 0.057,1356 10.027,1357 4.259,1358 6.749,1359 0.073,1360 0.031,1361 7.97,1362 2.851,1363 0.356,1364 100.73,1365 0.224,1366 27.998,1367 0.641,1368 158,1369 605.65,1370 228.718,1371 610.759,1372 798.59,1373 558,1374 187,1375 524.471,1376 267.182,1377 572.222,1378 835.22,1379 534,1380 6.466}
{0 CHEMBL2152254,1 2.127,2 10.038,3 3.304,4 10.914,5 95.373,6 10.725,7 0.643,8 3.764,9 3.843,10 3.761,11 3.386,12 5.077,13 3.382,14 4.233,15 4.327,16 4.086,17 3.74,18 5.828,19 3.738,20 4.486,21 4.616,22 4.297,23 3.871,24 6.102,25 3.841,26 4.508,27 4.648,28 4.238,29 3.779,30 6.088,31 3.757,32 4.412,33 4.553,34 4.083,35 3.683,36 6.08,37 3.676,38 4.303,39 4.419,40 4.077,41 3.636,42 6.091,43 3.636,44 4.27,45 4.406,46 3.987,47 3.567,48 5.9,49 3.555,50 4.143,51 4.32,52 3.72,53 3.365,54 5.631,55 3.348,56 0.224,57 0.723,58 4.308,59 3.318,60 39.798,61 2.507,62 0.515,63 1.1,64 6.371,65 5.337,66 75.432,67 4.609,68 0.875,69 1.469,70 16.209,71 7.581,72 128.12,73 6.031,74 0.984,75 1.281,76 21.334,77 8.182,78 141.379,79 6.169,80 0.979,81 1.122,82 19.097,83 7.426,84 178.052,85 5.861,86 0.834,87 0.985,88 12.902,89 6.087,90 139.295,91 5.18,92 0.776,93 0.934,94 14.856,95 5.889,96 105.224,97 4.945,98 0.686,99 0.866,100 14.854,101 5.383,102 99.223,103 5.17,104 37,105 41,106 0.377,107 0.663,108 0.81,109 0.904,110 0.904,111 0.904,112 3.305,113 0.962,114 -3.45,115 -3.43,116 -3.28,119 43.2,142 6,143 1,144 5,145 2,146 1,147 1,163 1,164 1,165 1,172 5,174 1,175 1,177 1,178 3,180 1,183 4,186 1,187 5,189 1,190 1,192 2,195 3,199 11,204 4,207 1,212 5,217 2,220 1,222 1,223 2,224 3,227 1,229 2,232 4,234 2,236 2,237 1,240 1,242 1,245 5,247 1,250 1,258 4,263 2,265 2,266 2,267 1,268 1,270 1,271 1,273 1,275 1024,276 16.817,277 16.817,278 16.817,279 16.817,280 16.817,281 14.208,282 10.421,283 9.583,284 17.327,285 13.749,286 13.749,287 13.749,288 13.749,289 13.749,290 9.91,291 6.155,292 4.518,293 14.735,294 3.083,295 1.467,296 0.635,297 0.108,298 0.108,299 0.108,300 3.977,301 1,304 1,305 1,306 550,307 3.317,311 266.686,318 1.583,319 55.029,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.333,331 261,332 4.899,333 4.716,334 7.408,335 4.367,336 3.452,337 4.757,339 12.925,340 3.133,341 4.308,342 3.379,343 6.338,344 3.88,345 2.931,346 3.975,348 9.419,349 2.797,350 4.222,351 2.922,352 6.15,353 3.786,354 2.827,355 3.869,357 9.06,358 2.673,359 3.832,360 2.747,361 5.562,362 3.32,363 2.387,364 3.39,366 7.021,367 2.216,368 3.56,369 2.389,370 5.039,371 3.108,372 2.19,373 2.919,375 6.05,376 1.963,377 3.247,378 2.375,379 4.978,380 2.812,381 1.88,382 2.497,384 5.457,385 1.732,386 2.866,387 1.825,388 4.317,389 2.384,390 1.414,391 2.029,393 3.979,394 1.36,395 2.863,396 1.552,397 4.148,398 2.355,399 1.414,400 2.02,402 3.205,403 1.298,404 2.66,405 1.355,406 3.866,407 2.147,408 1.162,409 1.715,411 3.151,412 1.134,413 2.5,414 1.048,415 3.414,416 1.916,417 1,418 1.5,420 2.275,421 0.915,422 1.555,423 1,424 3.278,425 1.228,426 0.376,427 0.421,428 0.891,429 0.309,430 1.365,431 0.638,432 2.788,433 0.928,434 0.065,435 0.08,436 0.149,437 0.049,438 1.107,439 0.113,440 2.65,441 0.701,442 -0.22,443 -0.276,445 -0.526,446 -0.199,447 1,448 -0.016,449 2.365,450 0.53,451 -0.334,452 -0.422,454 -0.76,455 -0.269,456 1,457 -0.185,458 2.309,459 0.152,460 -0.81,461 -1.022,463 -2.281,464 -0.738,465 12.386,466 0.476,467 0.896,468 0.034,469 38.75,470 1.49,471 22,472 0.846,473 16.75,474 0.644,475 17.44,476 0.671,477 27.814,478 0.752,479 31.249,480 1.202,481 7.718,482 0.297,483 4.557,484 0.175,485 0.19,486 0.067,487 0.323,491 2,493 0.586,494 0.987,495 0.661,496 1.046,497 0.67,498 0.748,499 0.645,500 1.016,501 0.728,502 0.938,503 0.621,504 0.88,505 0.918,506 0.95,507 0.93,508 0.988,509 0.888,510 0.996,511 1.151,512 0.987,513 1.281,514 1.218,515 1.183,516 1.083,517 1.112,518 0.914,519 1.056,520 1.02,521 1.165,522 0.892,523 0.838,524 0.904,525 0.958,526 0.985,527 0.873,528 0.918,529 1.072,530 0.966,531 1.246,532 1.017,533 1.072,534 1.069,535 1.095,536 1.137,537 1.064,538 1.018,539 1.062,540 1.079,541 7,542 0.091,543 4.444,544 2.375,545 1.787,546 1.319,547 0.711,548 0.394,549 0.377,550 0.116,551 7262,552 31023,553 1.983,554 29.7,556 6,558 2,559 3,564 1.694,565 1.803,566 3.292,567 1.088,568 1,569 1,573 78.696,574 2.127,575 3.743,576 4.574,577 5.101,578 5.101,579 5.101,580 2.738,581 4.104,582 4.672,583 3.44,584 1118.07,585 8.112,586 13644.6,588 1,590 1,591 192.75,592 1.717,593 4.592,594 0.25,595 0.007,596 0.108,597 0.055,598 0.047,599 0.037,600 0.02,601 0.013,602 0.016,603 0.006,604 0.559,605 0.33,606 1,607 0.669,608 125.922,609 -0.028,610 -0.049,611 0.092,612 -0.044,613 -0.138,614 0.07,615 0.069,616 -0.097,617 -0.012,618 -0.03,619 0.092,620 -0.055,621 -0.006,622 0.05,623 0.029,624 0.023,625 0.019,626 -0.082,627 -0.121,628 -0.04,629 -0.099,630 -0.124,631 -0.131,632 -0.101,633 -0.061,634 0.006,635 -0.025,636 0.053,637 -0.021,638 0.106,639 0.139,640 -0.035,641 0.023,642 -0.001,643 0.17,644 0.009,645 -0.067,646 -0.067,647 -0.12,648 -0.086,649 -0.094,650 -0.122,651 -0.087,652 -0.183,653 0.011,654 -0.097,655 -0.11,656 -0.023,657 5.2,658 5.765,659 0.692,660 21.385,661 1.051,662 1.136,663 2.221,664 4.934,665 0.733,666 3.367,667 3.738,668 3.97,669 4.174,670 4.394,671 4.419,672 4.443,673 4.511,674 4.585,675 4.533,676 5.929,677 0.728,678 396.83,679 3.367,680 4.934,681 5.784,682 6.676,683 7.544,684 8.438,685 9.313,686 10.21,687 11.088,688 11.986,689 10.8,693 1,694 1,699 2,704 8,705 2,709 8,711 18,722 1,730 3,731 37,733 20,734 2,735 28,737 39,738 16,739 16,740 6,741 6,746 3,747 3,748 1,761 16,766 2,769 1,771 2,778 1,779 2,781 11,782 8,783 3,784 10,785 2,790 4,794 1,795 2,802 1,812 3,840 3,842 1,845 1,846 2,848 26,849 1,852 1,855 1,869 3,870 5.4,873 2,877 14.417,878 6.579,879 5.569,880 1.875,881 3.204,882 1.455,883 1.019,884 4.987,885 10.242,886 3.689,887 4.376,888 4.9,889 5.445,890 5.988,891 6.193,892 6.511,893 6.85,894 7.196,895 7.429,896 0.857,897 43,898 10.059,900 4.905,901 8.456,902 17.141,904 14.059,905 2.956,906 76.861,910 94.169,911 115.08,912 82.873,913 39.149,914 44.313,915 29.92,916 5.807,917 109.273,918 177.63,919 112.793,922 95.562,923 117.831,924 50.087,925 32.248,926 70.627,927 39.149,928 94.169,929 192.146,930 74.233,931 44.956,933 124.089,934 44.313,937 20.852,938 121.318,939 94.932,941 124.089,942 127.186,943 154.229,945 5.807,946 94.169,947 34.32,948 74.952,949 16.405,950 179.85,951 94.169,952 157.106,953 154.229,955 0.601,956 0.348,957 0.171,958 0.094,959 20,960 10,961 0.103,962 4,964 1,965 3.62,966 219.76,968 18,969 120.211,973 1,974 18.365,975 7.06,976 3.895,978 157.106,979 9.989,980 7.94,984 -2.459,986 49.302,987 405.504,988 39,991 -4.283,993 25.166,999 38.905,1000 42.031,1001 0.408,1002 0.718,1003 0.878,1004 0.979,1005 0.979,1006 0.979,1007 4.938,1008 1.414,1009 5.832,1010 3.979,1011 4.419,1012 5.063,1014 6.703,1015 4.28,1016 6.214,1017 1.162,1018 7.447,1019 3.205,1020 4.29,1021 5.198,1023 7.938,1024 4.03,1025 7.583,1026 1,1027 9.174,1028 3.151,1029 6.129,1030 7.419,1032 10.981,1033 5.851,1034 8.992,1035 0.376,1036 10.968,1037 2.275,1038 6.77,1039 8.321,1041 13.03,1042 6.353,1043 10.433,1044 0.065,1045 12.807,1046 0.891,1047 8.172,1048 10.097,1050 15.702,1051 7.729,1052 11.899,1053 -0.22,1054 14.677,1055 0.149,1056 9.136,1057 11.335,1059 18.061,1060 8.56,1061 13.383,1062 -0.334,1063 16.571,1064 -0.526,1065 10.396,1066 12.954,1068 20.638,1069 9.769,1070 3.452,1071 -0.81,1072 18.485,1073 -0.76,1074 11.5,1075 14.348,1077 23.116,1078 10.75,1079 2.931,1080 12.925,1081 20.413,1082 -2.281,1083 12.717,1084 15.91,1086 25.671,1087 11.895,1088 2.827,1089 9.419,1090 22.354,1091 4.757,1092 13.883,1093 17.38,1095 28.196,1096 12.946,1097 2.387,1098 9.06,1099 24.305,1100 3.975,1101 15.094,1102 18.924,1104 30.749,1105 14.068,1106 2.19,1107 7.021,1108 26.264,1109 3.869,1110 16.29,1111 20.433,1113 33.293,1114 15.154,1115 1.88,1116 6.05,1117 28.23,1118 3.39,1119 17.504,1120 21.975,1122 35.848,1123 16.271,1124 1.414,1125 5.457,1126 30.202,1127 2.919,1128 18.715,1129 23.504,1131 38.4,1132 17.375,1133 7162,1134 14979,1135 17.8,1136 27.119,1137 42.379,1138 44.749,1139 44.568,1140 42.261,1141 42.197,1142 58.344,1144 127.163,1145 39.159,1146 5.738,1147 6.716,1148 6.942,1149 5.437,1150 5.452,1151 7.757,1153 20.726,1154 5.133,1155 15.527,1156 1.514,1157 1.598,1158 1.592,1159 1.509,1160 1.507,1161 2.084,1163 4.542,1164 1.399,1165 4.108,1166 4.095,1167 4.744,1168 4.091,1169 8.239,1170 4.019,1171 3.904,1172 3.936,1173 3.937,1174 3.81,1175 8.161,1176 3.817,1177 3.799,1178 3.82,1179 3.852,1180 3.679,1181 7.717,1182 3.658,1183 3.554,1184 3.548,1185 3.741,1186 3.449,1187 6.999,1188 3.404,1189 3.055,1190 3.131,1191 3.289,1192 2.922,1193 5.209,1194 2.916,1195 2.93,1196 2.981,1197 2.879,1198 2.734,1199 4.902,1200 2.751,1201 2.891,1202 2.941,1203 2.836,1204 2.73,1205 4.658,1206 2.737,1207 2.725,1208 2.799,1209 2.783,1210 2.557,1211 4.57,1212 2.545,1213 0.175,1214 0.168,1215 0.265,1216 0.156,1217 0.123,1218 4.899,1219 0.17,1220 4.716,1222 7.408,1223 0.462,1224 4.367,1225 0.112,1226 3.452,1227 4.757,1229 12.925,1230 3.133,1231 1.991,1232 1.998,1233 1.992,1234 2.066,1235 1.202,1236 2.086,1237 1.862,1238 1.837,1239 1.943,1240 1.982,1241 1.028,1242 1.971,1243 1.687,1244 1.661,1245 1.737,1246 1.849,1247 0.744,1248 1.848,1249 1.4,1250 1.419,1251 1.242,1252 1.56,1253 0.535,1254 1.594,1255 1.004,1256 0.953,1257 1.22,1258 1.261,1259 0.221,1260 1.261,1261 0.843,1262 0.793,1263 1.074,1264 1.074,1265 0.141,1266 1.053,1267 0.828,1268 0.786,1269 0.995,1270 1.04,1271 0.03,1272 1.041,1273 0.693,1274 0.631,1275 0.953,1276 0.935,1278 0.959,1279 4.043,1281 5.398,1283 6.948,1285 8.582,1287 10.257,1290 5.988,1291 27.058,1293 5.474,1296 1.989,1305 26.93,1306 78.696,1307 138.485,1308 169.24,1309 188.75,1310 188.75,1311 188.75,1312 76.515,1313 7.038,1314 97.97,1315 106.35,1316 18,1317 12.513,1318 4.392,1319 3.585,1320 44.203,1321 90,1322 102,1323 0.238,1324 172.751,1325 299.26,1326 413.272,1327 9893,1328 8.1,1329 18.897,1330 0.727,1331 0.559,1332 17.906,1333 14.522,1334 12.276,1335 0.438,1336 0.321,1337 7.145,1338 10.692,1339 6.888,1340 5.674,1341 12.564,1342 8.981,1343 11.897,1344 0.29,1345 0.177,1346 12.526,1347 7.237,1348 9.631,1349 0.185,1350 0.101,1351 10.004,1352 5.231,1353 7.437,1354 0.116,1355 0.058,1356 8.617,1357 3.724,1358 5.932,1359 0.074,1360 0.031,1361 6.688,1362 2.46,1363 0.367,1364 89.351,1365 0.237,1366 24.822,1367 0.672,1368 138,1369 601.692,1370 208.613,1371 581.381,1372 750.24,1373 530,1374 162,1375 483.407,1376 242.451,1377 524.1,1378 763.97,1379 489,1380 5.333}
{0 CHEMBL2152255,1 2.127,2 10.038,3 3.38,4 11.422,5 96.356,6 10.725,7 0.643,8 3.764,9 3.843,10 3.761,11 3.386,12 5.077,13 3.382,14 4.234,15 4.33,16 4.087,17 3.747,18 5.838,19 3.741,20 4.48,21 4.605,22 4.292,23 3.884,24 6.08,25 3.85,26 4.518,27 4.654,28 4.24,29 3.796,30 6.097,31 3.769,32 4.446,33 4.602,34 4.079,35 3.697,36 6.091,37 3.681,38 4.287,39 4.394,40 4.071,41 3.636,42 6.047,43 3.641,44 4.304,45 4.44,46 4.009,47 3.549,48 5.992,49 3.547,50 4.095,51 4.277,52 3.705,53 3.355,54 5.561,55 3.336,56 0.224,57 0.723,58 4.308,59 3.318,60 39.798,61 2.507,62 0.521,63 1.101,64 6.427,65 5.388,66 75.725,67 4.726,68 0.856,69 1.462,70 15.983,71 7.671,72 126.379,73 6.158,74 0.977,75 1.294,76 20.718,77 8.302,78 141.007,79 6.319,80 1.023,81 1.138,82 20.916,83 7.846,84 184.252,85 6.441,86 0.779,87 0.988,88 13.512,89 6.133,90 136.996,91 4.863,92 0.892,93 0.929,94 15.657,95 5.673,96 117.897,97 4.661,98 0.611,99 0.857,100 13.115,101 5.175,102 87.061,103 5.27,104 37,105 41,106 0.377,107 0.654,108 0.791,109 0.875,110 0.875,111 0.875,112 3.305,113 0.962,114 -3.86,115 -3.82,116 -3.62,119 43.2,142 6,143 2,144 5,145 2,150 1,163 1,164 1,165 1,172 6,174 2,175 2,177 2,178 4,180 1,183 6,187 4,192 2,195 4,199 12,204 5,207 1,209 1,212 8,217 3,220 2,222 1,224 2,229 2,232 4,234 2,236 4,237 2,240 2,242 1,245 6,247 1,258 5,263 2,265 2,266 2,267 1,268 1,270 1,271 2,273 1,275 1024,276 16.817,277 16.817,278 16.817,279 16.817,280 16.817,281 14.208,282 10.421,283 9.583,284 17.341,285 13.749,286 13.749,287 13.749,288 13.749,289 13.749,290 9.91,291 6.155,292 4.518,293 14.748,294 3.083,295 1.521,296 0.744,297 0.27,298 0.27,299 0.27,300 3.977,301 1,304 1,305 1,306 550,307 3.317,311 266.686,318 1.583,319 54.43,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 59.333,331 261,332 4.899,333 4.716,334 7.408,335 4.367,336 3.452,337 4.757,339 12.925,340 3.134,341 4.308,342 3.379,343 6.338,344 3.884,345 2.931,346 3.975,348 9.419,349 2.824,350 4.222,351 2.922,352 6.15,353 3.793,354 2.827,355 3.869,357 9.06,358 2.681,359 3.832,360 2.747,361 5.562,362 3.307,363 2.387,364 3.39,366 7.021,367 2.179,368 3.56,369 2.389,370 5.039,371 3.097,372 2.19,373 2.919,375 6.05,376 1.949,377 3.247,378 2.375,379 4.978,380 2.813,381 1.88,382 2.497,384 5.457,385 1.732,386 2.866,387 1.825,388 4.317,389 2.384,390 1.414,391 2.029,393 3.979,394 1.36,395 2.863,396 1.552,397 4.148,398 2.367,399 1.414,400 2.02,402 3.205,403 1.313,404 2.66,405 1.355,406 3.866,407 2.147,408 1.162,409 1.715,411 3.151,412 1.134,413 2.5,414 1.048,415 3.414,416 1.917,417 1,418 1.5,420 2.275,421 0.916,422 1.555,423 1,424 3.278,425 1.228,426 0.376,427 0.421,428 0.891,429 0.309,430 1.365,431 0.638,432 2.788,433 0.928,434 0.065,435 0.08,436 0.149,437 0.049,438 1.107,439 0.113,440 2.65,441 0.701,442 -0.22,443 -0.276,445 -0.526,446 -0.199,447 1,448 -0.016,449 2.365,450 0.533,451 -0.334,452 -0.422,454 -0.76,455 -0.269,456 1,457 -0.185,458 2.309,459 0.152,460 -0.81,461 -1.022,463 -2.281,464 -0.738,465 12.386,466 0.476,467 0.896,468 0.034,469 38.75,470 1.49,471 22,472 0.846,473 16.75,474 0.644,475 17.466,476 0.672,477 27.814,478 0.752,479 31.222,480 1.201,481 7.716,482 0.297,483 4.56,484 0.175,485 0.19,486 0.067,487 0.323,491 2,493 0.586,494 0.987,495 0.661,496 1.046,497 0.67,498 0.748,499 0.605,500 0.9,501 0.726,502 0.899,503 0.607,504 0.863,505 0.92,506 1.005,507 0.927,508 1.022,509 0.881,510 1.02,511 1.126,512 1.007,513 1.283,514 1.262,515 1.175,516 1.148,517 1.09,518 0.855,519 1.028,520 0.933,521 1.12,522 0.833,523 0.975,524 1.045,525 1.084,526 1.138,527 0.943,528 0.957,529 1.099,530 0.842,531 1.292,532 0.909,533 1.171,534 1.057,535 0.947,536 1.144,537 0.876,538 0.985,539 0.911,540 1.022,541 7,542 0.091,543 4.444,544 2.375,545 1.787,546 1.319,547 0.711,548 0.394,549 0.377,550 0.116,551 7262,552 31183,553 1.983,554 29.7,556 6,558 2,559 3,564 1.694,565 1.803,566 3.292,567 1.088,568 1,569 1,573 78.696,574 2.127,575 3.689,576 4.466,577 4.939,578 4.939,579 4.939,580 2.738,581 4.104,582 4.672,583 3.44,584 1118.07,585 8.112,586 13644.6,588 1,590 1,591 192.75,592 1.717,593 4.592,594 0.25,595 0.007,596 0.108,597 0.055,598 0.047,599 0.037,600 0.02,601 0.013,602 0.016,603 0.006,604 0.559,605 0.33,606 1,607 0.669,608 125.922,609 -0.028,610 -0.049,611 0.092,612 -0.044,613 -0.138,614 0.07,615 0.11,616 0.023,617 -0.01,618 0.011,619 0.107,620 -0.038,621 -0.017,622 -0.011,623 0.03,624 -0.001,625 0.021,626 -0.094,627 -0.109,628 -0.064,629 -0.117,630 -0.171,631 -0.133,632 -0.167,633 -0.054,634 0.04,635 0.022,636 0.139,638 0.201,640 -0.162,641 -0.06,642 -0.102,643 0.111,644 -0.032,645 -0.024,646 0.039,647 -0.156,648 -0.033,649 -0.121,650 -0.147,651 0.004,652 -0.164,653 0.135,654 -0.067,655 -0.032,656 0.052,657 5.193,658 5.767,659 0.692,660 21.385,661 1.051,662 1.136,663 2.627,664 6.903,665 0.733,666 3.367,667 3.738,668 3.97,669 4.174,670 4.394,671 4.419,672 4.443,673 4.511,674 4.585,675 4.533,676 5.929,677 0.728,678 396.83,679 3.367,680 4.934,681 5.784,682 6.676,683 7.544,684 8.438,685 9.313,686 10.21,687 11.088,688 11.986,689 10.8,693 1,694 1,699 2,704 8,705 2,709 8,711 18,722 1,730 3,731 37,733 20,734 2,735 28,737 39,738 16,739 16,740 6,741 6,746 3,747 3,748 1,761 16,766 2,769 1,771 2,778 1,779 2,781 11,782 8,783 3,784 10,785 2,790 4,794 1,795 2,806 1,812 3,840 3,842 1,845 1,846 2,848 26,849 1,852 1,855 1,869 3,870 5.4,873 2,877 14.417,878 6.579,879 5.569,880 1.875,881 3.204,882 1.455,883 1.019,884 4.987,885 10.242,886 3.689,887 4.376,888 4.9,889 5.445,890 5.988,891 6.193,892 6.511,893 6.85,894 7.196,895 7.429,896 0.857,897 43,898 10.053,900 4.896,901 8.456,902 17.141,904 14.059,905 2.956,906 76.861,910 94.169,911 115.08,912 82.873,913 39.149,914 44.313,915 29.92,916 5.807,917 109.273,918 177.63,919 112.793,922 95.562,923 117.831,924 50.516,925 31.819,926 70.627,927 39.149,928 94.169,929 192.146,930 74.233,931 44.956,933 124.089,934 44.313,937 19.994,938 122.176,939 94.932,941 124.089,942 127.186,943 154.229,945 5.807,946 94.169,947 34.32,948 74.952,949 16.405,950 179.85,951 94.169,952 157.106,953 154.229,955 0.601,956 0.348,957 0.171,958 0.094,959 20,960 10,961 0.103,962 4,964 1,965 3.62,966 219.76,968 18,969 116.211,973 1,974 18.365,975 7.06,976 3.895,978 157.106,979 10.201,980 7.672,984 -2.384,986 49.302,987 405.504,988 39,991 -4.276,993 25.175,999 38.905,1000 42.031,1001 0.408,1002 0.708,1003 0.857,1004 0.948,1005 0.948,1006 0.948,1007 4.938,1008 1.414,1009 5.832,1010 3.979,1011 4.419,1012 5.063,1014 6.703,1015 4.281,1016 6.214,1017 1.162,1018 7.447,1019 3.205,1020 4.29,1021 5.198,1023 7.938,1024 4.032,1025 7.583,1026 1,1027 9.174,1028 3.151,1029 6.129,1030 7.419,1032 10.981,1033 5.855,1034 8.992,1035 0.376,1036 10.968,1037 2.275,1038 6.77,1039 8.321,1041 13.03,1042 6.362,1043 10.433,1044 0.065,1045 12.807,1046 0.891,1047 8.172,1048 10.097,1050 15.702,1051 7.74,1052 11.899,1053 -0.22,1054 14.677,1055 0.149,1056 9.136,1057 11.335,1059 18.061,1060 8.576,1061 13.383,1062 -0.334,1063 16.571,1064 -0.526,1065 10.396,1066 12.954,1068 20.638,1069 9.787,1070 3.452,1071 -0.81,1072 18.485,1073 -0.76,1074 11.5,1075 14.348,1077 23.116,1078 10.771,1079 2.931,1080 12.925,1081 20.413,1082 -2.281,1083 12.717,1084 15.91,1086 25.671,1087 11.918,1088 2.827,1089 9.419,1090 22.354,1091 4.757,1092 13.883,1093 17.38,1095 28.196,1096 12.971,1097 2.387,1098 9.06,1099 24.305,1100 3.975,1101 15.094,1102 18.924,1104 30.749,1105 14.095,1106 2.19,1107 7.021,1108 26.264,1109 3.869,1110 16.29,1111 20.433,1113 33.293,1114 15.182,1115 1.88,1116 6.05,1117 28.23,1118 3.39,1119 17.504,1120 21.975,1122 35.848,1123 16.3,1124 1.414,1125 5.457,1126 30.202,1127 2.919,1128 18.715,1129 23.504,1131 38.4,1132 17.404,1133 7162,1134 15015,1135 17.8,1136 27.119,1137 42.379,1138 44.749,1139 44.568,1140 42.264,1141 42.197,1142 58.344,1144 127.163,1145 39.16,1146 5.738,1147 6.716,1148 6.942,1149 5.436,1150 5.452,1151 7.757,1153 20.726,1154 5.134,1155 15.527,1156 1.514,1157 1.598,1158 1.592,1159 1.509,1160 1.507,1161 2.084,1163 4.542,1164 1.399,1165 4.109,1166 4.096,1167 4.745,1168 4.094,1169 8.239,1170 4.023,1171 3.906,1172 3.937,1173 3.939,1174 3.814,1175 8.161,1176 3.82,1177 3.797,1178 3.817,1179 3.852,1180 3.69,1181 7.717,1182 3.661,1183 3.547,1184 3.544,1185 3.739,1186 3.429,1187 6.999,1188 3.39,1189 3.058,1190 3.142,1191 3.281,1192 2.877,1193 5.236,1194 2.886,1195 2.93,1196 2.981,1197 2.879,1198 2.734,1199 4.899,1200 2.751,1201 2.891,1202 2.941,1203 2.836,1204 2.73,1205 4.609,1206 2.737,1207 2.728,1208 2.8,1209 2.794,1210 2.543,1211 4.57,1212 2.534,1213 0.175,1214 0.168,1215 0.265,1216 0.156,1217 0.123,1218 4.899,1219 0.17,1220 4.716,1222 7.408,1223 0.462,1224 4.367,1225 0.112,1226 3.452,1227 4.757,1229 12.925,1230 3.134,1231 1.997,1232 2.003,1233 2.004,1234 2.067,1235 1.212,1236 2.088,1237 1.864,1238 1.84,1239 1.944,1240 1.983,1241 1.031,1242 1.972,1243 1.682,1244 1.664,1245 1.718,1246 1.844,1247 0.782,1248 1.841,1249 1.389,1250 1.404,1251 1.244,1252 1.558,1253 0.517,1254 1.589,1255 0.986,1256 0.918,1257 1.226,1258 1.277,1259 0.152,1260 1.28,1261 0.843,1262 0.793,1263 1.076,1264 1.074,1265 0.076,1266 1.053,1267 0.828,1268 0.786,1269 0.995,1270 1.04,1271 0.019,1272 1.041,1273 0.695,1274 0.626,1275 0.921,1276 0.918,1278 0.945,1279 4.043,1281 5.398,1283 6.948,1285 8.582,1287 10.257,1290 5.992,1291 27.061,1293 5.425,1296 1.994,1305 26.93,1306 78.696,1307 136.485,1308 165.24,1309 182.75,1310 182.75,1311 182.75,1312 75.656,1313 7.038,1314 97.97,1315 106.35,1316 18,1317 12.513,1318 4.392,1319 3.585,1320 44.203,1321 90,1322 102,1323 0.238,1324 172.751,1325 299.26,1326 413.272,1327 9893,1328 8.1,1329 18.897,1330 0.727,1331 0.559,1332 17.906,1333 14.522,1334 12.276,1335 0.438,1336 0.321,1337 7.145,1338 10.69,1339 6.888,1340 5.675,1341 12.564,1342 8.981,1343 11.897,1344 0.29,1345 0.177,1346 12.526,1347 7.24,1348 9.631,1349 0.185,1350 0.101,1351 10.004,1352 5.269,1353 7.437,1354 0.116,1355 0.059,1356 8.617,1357 3.745,1358 5.932,1359 0.074,1360 0.031,1361 6.688,1362 2.483,1363 0.367,1364 89.351,1365 0.237,1366 24.822,1367 0.672,1368 138,1369 601.692,1370 208.724,1371 581.431,1372 750.28,1373 530,1374 162,1375 483.407,1376 242.034,1377 524.23,1378 764.19,1379 489,1380 5.779}
{0 CHEMBL2152256,1 2.13,2 10.143,3 3.902,4 15.228,5 103.132,6 10.411,7 0.6,8 3.864,9 3.941,10 3.825,11 3.441,12 5.168,13 3.446,14 4.347,15 4.451,16 4.153,17 3.795,18 5.913,19 3.8,20 4.547,21 4.663,22 4.372,23 3.943,24 6.133,25 3.93,26 4.632,27 4.756,28 4.363,29 3.905,30 6.208,31 3.901,32 4.617,33 4.756,34 4.207,35 3.864,36 6.215,37 3.854,38 4.549,39 4.689,40 4.201,41 3.825,42 6.166,43 3.813,44 4.556,45 4.725,46 4.218,47 3.739,48 6.176,49 3.715,50 4.31,51 4.48,52 3.906,53 3.555,54 5.76,55 3.523,56 0.265,57 0.769,58 5.301,59 3.772,60 39.494,61 2.995,62 0.678,63 1.157,64 10.157,65 6.256,66 82.409,67 5.557,68 0.908,69 1.532,70 17.383,71 8.131,72 123.913,73 6.53,74 1.11,75 1.408,76 22.345,77 8.813,78 141.031,79 6.686,80 1.187,81 1.309,82 21.486,83 8.756,84 185.257,85 6.916,86 0.981,87 1.2,88 17.749,89 7.639,90 153.822,91 6.675,92 1.226,93 1.101,94 23.828,95 7.954,96 139.011,97 8.178,98 0.745,99 0.987,100 20.093,101 6.987,102 98.654,103 6.75,104 51,105 44,106 0.37,107 0.699,108 0.82,109 0.894,110 0.894,111 0.894,112 3.375,113 0.952,114 -4.14,115 -4.09,116 -3.87,119 41.5,124 1,142 6,143 2,144 5,145 1,147 1,150 1,163 1,164 1,165 1,172 6,174 3,175 3,177 2,178 4,180 1,183 6,187 5,192 2,195 4,198 1,199 14,201 1,202 1,204 5,207 1,209 1,212 9,217 3,220 2,222 1,224 2,229 2,232 4,234 2,236 6,237 3,240 3,242 1,245 6,247 1,258 5,263 3,265 2,266 2,267 1,268 1,270 1,271 2,273 1,275 1222,276 18.187,277 18.187,278 18.187,279 18.187,280 18.187,281 15.578,282 14.734,283 10.313,284 18.884,285 14.671,286 14.671,287 14.671,288 14.671,289 14.671,290 10.732,291 12.511,292 4.757,293 15.862,294 3.228,295 1.333,296 0.641,297 0.214,298 0.214,299 0.214,300 4.047,301 1,304 1,305 1,306 594,307 3.536,311 286.954,318 1.582,319 59.023,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 64.333,331 284,332 4.9,333 4.716,334 7.409,335 4.369,336 3.453,337 4.758,338 0.86,339 12.926,340 3.14,341 4.394,342 3.379,343 6.511,344 3.99,345 3.028,346 4.071,348 10.222,349 2.917,350 4.29,351 3.164,352 6.333,353 3.84,354 2.905,355 3.957,357 9.376,358 2.695,359 3.888,360 2.833,361 5.623,362 3.374,363 2.442,364 3.461,366 7.312,367 2.256,368 3.561,369 2.392,370 5.272,371 3.098,372 2.191,373 2.924,375 6.423,376 1.952,377 3.249,378 2.389,379 4.98,380 2.821,381 1.89,382 2.5,384 5.465,385 1.744,386 3.178,387 2.22,388 4.803,389 2.739,390 1.844,391 2.398,393 5.178,394 1.617,395 2.866,396 1.824,397 4.169,398 2.384,399 1.414,400 2.029,402 3.384,403 1.36,404 2.721,405 1.459,406 4.054,407 2.204,408 1.269,409 1.819,411 3.193,412 1.171,413 2.66,414 1.334,415 3.866,416 2.147,417 1.161,418 1.715,420 3.134,421 1.132,422 1.695,423 1.048,424 3.278,425 1.351,426 0.499,427 0.576,428 0.904,429 0.419,430 1.555,431 0.939,432 2.966,433 1.227,434 0.375,435 0.42,436 0.832,437 0.309,438 1.318,439 0.647,440 2.767,441 0.911,442 0.058,443 0.07,445 0.119,446 0.044,447 1.107,448 0.133,449 2.552,450 0.701,451 -0.218,452 -0.274,454 -0.524,455 -0.197,456 1,457 0.019,458 2.365,459 0.537,460 -0.327,461 -0.413,463 -0.77,464 -0.261,465 13.219,466 0.472,467 0.948,468 0.034,469 40.75,470 1.455,471 22.5,472 0.804,473 18.25,474 0.652,475 20.234,476 0.723,477 30.581,478 0.746,479 34.642,480 1.237,481 8.215,482 0.293,483 5.01,484 0.179,485 0.216,486 0.063,487 0.34,491 2,493 0.64,494 1.049,495 0.66,496 1.104,497 0.677,498 0.801,499 0.712,500 0.864,501 0.71,502 0.815,503 0.619,504 0.759,505 0.943,506 1.069,507 0.893,508 1.031,509 0.905,510 0.963,511 1.112,512 1.006,513 1.225,514 1.209,515 1.143,516 1.077,517 1.131,518 0.923,519 1.048,520 0.996,521 1.072,522 0.968,523 0.888,524 0.967,525 0.981,526 1.075,527 0.878,528 1.031,529 0.7,530 0.76,531 0.975,532 0.849,533 0.859,534 0.926,535 0.966,536 1.181,537 1.173,538 1.243,539 0.919,540 1.092,541 7.5,542 0.14,543 4.667,544 2.938,545 2.098,546 1.41,547 0.935,548 0.516,549 0.402,550 0.156,551 8580,552 36885,553 1.964,554 31.7,556 9,558 1,559 3,564 1.715,565 1.778,566 3.315,567 1.059,569 1,573 87.312,574 2.13,575 4.024,576 4.717,577 5.144,578 5.144,579 5.144,580 2.727,581 4.593,582 4.781,583 3.473,584 1312.79,585 8.335,586 16879,588 1,590 1,591 219.66,592 1.728,593 4.694,594 0.25,595 0.008,596 0.106,597 0.061,598 0.047,599 0.034,600 0.023,601 0.014,602 0.014,603 0.007,604 0.563,605 0.33,606 1,607 0.843,608 138.758,609 -0.043,610 -0.08,611 0.096,612 -0.07,613 -0.141,614 0.045,615 0.076,616 0.061,617 0.045,618 0.128,619 0.105,620 0.107,621 -0.042,622 -0.026,623 0.043,624 -0.003,625 0.016,626 -0.061,627 -0.1,628 -0.029,629 -0.122,630 -0.145,631 -0.113,632 -0.154,633 -0.13,634 -0.016,635 -0.097,636 0.024,637 -0.024,638 -0.008,639 -0.015,640 -0.117,641 -0.015,642 -0.09,643 0.053,644 -0.069,645 0.28,646 0.053,647 0.185,648 0.085,649 0.09,650 0.105,651 -0.041,652 -0.212,653 0.001,654 -0.179,655 -0.01,656 -0.015,657 5.253,658 5.849,659 0.643,660 23.786,661 1.052,662 1.138,663 2.912,664 8.483,665 0.715,666 3.434,667 3.807,668 4.06,669 4.29,670 4.5,671 4.533,672 4.595,673 4.654,674 4.71,675 4.673,676 6.116,677 0.712,678 426.86,679 3.434,680 5.004,681 5.861,682 6.76,683 7.636,684 8.538,685 9.419,686 10.322,687 11.207,688 12.111,689 9.8,693 1,694 1,699 2,704 7,705 2,709 9,711 18,722 1,729 1,730 3,731 41,733 20,734 2,735 30,737 43,738 17,739 16,740 6,741 6,746 3,747 3,748 1,761 16,762 1,766 2,769 1,771 2,778 1,779 2,781 13,782 9,783 3,784 11,785 2,790 4,794 1,795 3,806 1,812 3,840 3,842 1,844 1,845 1,846 2,848 28,849 1,852 1,855 1,856 1,869 3,870 7.3,873 2,875 1,877 15.75,878 7.662,879 6.097,880 2.046,881 3.305,882 1.458,883 0.999,884 5.702,885 10.529,886 3.738,887 4.425,888 4.965,889 5.526,890 6.062,891 6.291,892 6.628,893 6.957,894 7.295,895 7.53,896 0.857,897 48,898 10.822,900 5.223,901 8.43,902 18.451,904 14.942,905 2.93,906 82.028,909 1,910 117.711,911 121.73,912 82.873,913 39.149,914 55.313,915 29.92,916 5.807,917 115.923,918 212.173,919 112.793,920 10.883,922 95.562,923 106.06,924 52.469,925 36.634,926 105.94,927 39.149,928 117.711,929 198.796,930 85.233,931 44.956,933 147.631,934 55.313,937 10.947,938 137.874,939 94.932,941 147.631,942 138.186,943 160.879,945 5.807,946 117.711,947 39.135,948 76.788,949 16.405,950 190.85,951 117.711,952 168.106,953 160.879,955 0.597,956 0.355,957 0.183,958 0.099,959 21,960 11,961 0.116,962 5,964 1,965 3.717,966 245.875,968 18,969 132.606,973 1,974 20.271,975 7.876,976 4.196,978 168.106,979 8.591,980 7.791,984 -2.709,986 49.302,987 446.696,988 41,991 -4.336,993 25.422,999 43.116,1000 46.656,1001 0.397,1002 0.751,1003 0.88,1004 0.96,1005 0.96,1006 0.96,1007 4.994,1008 1.414,1009 5.911,1010 5.178,1011 4.489,1012 5.112,1013 0.908,1014 6.797,1015 4.339,1016 6.271,1017 1.269,1018 7.534,1019 3.384,1020 4.369,1021 5.27,1023 8.036,1024 4.106,1025 7.643,1026 1.161,1027 9.268,1028 3.193,1029 6.209,1030 7.474,1031 0.739,1032 11.092,1033 5.92,1034 9.056,1035 0.499,1036 11.066,1037 3.134,1038 6.858,1039 8.393,1041 13.131,1042 6.445,1043 10.501,1044 0.375,1045 12.907,1046 0.904,1047 8.258,1048 10.159,1049 0.593,1050 15.805,1051 7.817,1052 11.968,1053 0.058,1054 14.778,1055 0.832,1056 9.228,1057 11.406,1059 18.151,1060 8.668,1061 13.455,1062 -0.218,1063 16.672,1064 0.119,1065 10.486,1066 13.018,1067 0.469,1068 20.721,1069 9.877,1070 3.453,1071 -0.327,1072 18.583,1073 -0.524,1074 11.592,1075 14.415,1077 23.187,1078 10.874,1079 3.028,1080 12.926,1081 20.509,1082 -0.77,1083 12.807,1084 15.972,1085 0.366,1086 25.733,1087 12.021,1088 2.905,1089 10.222,1090 22.446,1091 4.758,1092 13.972,1093 17.441,1095 28.248,1096 13.082,1097 2.442,1098 9.376,1099 24.392,1100 4.071,1101 15.179,1102 18.981,1103 0.283,1104 30.794,1105 14.207,1106 2.191,1107 7.312,1108 26.347,1109 3.957,1110 16.371,1111 20.487,1113 33.33,1114 15.299,1115 1.89,1116 6.423,1117 28.308,1118 3.461,1119 17.581,1120 22.024,1121 0.217,1122 35.879,1123 16.418,1124 1.844,1125 5.465,1126 30.275,1127 2.924,1128 18.788,1129 23.55,1131 38.426,1132 17.525,1133 8525,1134 17862,1135 18.898,1136 29.335,1137 45.116,1138 47.977,1139 48.125,1140 45.088,1141 45.06,1142 61.394,1143 1.72,1144 136.935,1145 41.511,1146 5.739,1147 6.716,1148 6.942,1149 5.44,1150 5.453,1151 7.758,1152 1.72,1153 20.733,1154 5.14,1155 17.72,1156 1.504,1157 1.599,1158 1.604,1159 1.503,1160 1.502,1161 2.046,1162 0.057,1163 4.564,1164 1.384,1165 4.111,1166 4.097,1167 4.745,1168 4.094,1169 8.239,1170 4.024,1171 3.91,1172 3.938,1173 3.948,1174 3.814,1175 8.161,1176 3.821,1177 3.808,1178 3.822,1179 3.854,1180 3.692,1181 7.717,1182 3.67,1183 3.55,1184 3.545,1185 3.757,1186 3.433,1187 6.999,1188 3.393,1189 3.247,1190 3.321,1191 3.281,1192 2.931,1193 5.244,1194 2.949,1195 3.036,1196 3.116,1197 3.069,1198 2.871,1199 4.902,1200 2.871,1201 2.93,1202 2.981,1203 2.879,1204 2.734,1205 4.731,1206 2.751,1207 2.891,1208 2.941,1209 2.836,1210 2.73,1211 4.57,1212 2.737,1213 0.163,1214 0.157,1215 0.247,1216 0.146,1217 0.115,1218 4.9,1219 0.159,1220 4.716,1221 0.029,1222 7.409,1223 0.431,1224 4.369,1225 0.105,1226 3.453,1227 4.758,1228 0.86,1229 12.926,1230 3.14,1231 1.996,1232 2.003,1233 1.996,1234 2.069,1235 1.213,1236 2.087,1237 1.863,1238 1.84,1239 1.943,1240 1.985,1241 1.031,1242 1.971,1243 1.681,1244 1.668,1245 1.713,1246 1.851,1247 0.782,1248 1.843,1249 1.39,1250 1.407,1251 1.549,1252 1.558,1253 0.572,1254 1.591,1255 1.179,1256 1.095,1257 1.238,1258 1.519,1259 0.499,1260 1.528,1261 0.975,1262 0.911,1263 1.217,1264 1.249,1265 0.151,1266 1.257,1267 0.843,1268 0.793,1269 1.074,1270 1.074,1271 0.075,1272 1.053,1273 0.828,1274 0.786,1275 0.995,1276 1.04,1277 0.019,1278 1.041,1279 4.111,1281 5.468,1283 7.024,1285 8.668,1287 10.356,1289 1.368,1290 6.035,1291 27.213,1293 5.521,1296 1.991,1297 5.14,1305 29.172,1306 87.312,1307 164.989,1308 193.395,1309 210.905,1310 210.905,1311 210.905,1312 85.73,1313 7.224,1314 107.2,1315 115.58,1316 18,1317 12.634,1318 4.392,1319 3.585,1320 49.479,1321 101,1322 100,1323 0.239,1324 186.34,1325 325.35,1326 446.429,1327 12523,1328 7.3,1329 20.474,1330 0.731,1331 0.566,1332 19.484,1333 15.853,1334 13.224,1335 0.441,1336 0.317,1337 7.643,1338 11.495,1339 7.345,1340 6.073,1341 13.513,1342 9.52,1343 12.627,1344 0.287,1345 0.172,1346 13.257,1347 7.561,1348 10.337,1349 0.181,1350 0.097,1351 10.711,1352 5.54,1353 8.252,1354 0.115,1355 0.055,1356 9.433,1357 3.978,1358 6.552,1359 0.074,1360 0.029,1361 7.304,1362 2.625,1363 0.368,1364 96.112,1365 0.23,1366 26.309,1367 0.678,1368 148,1369 657.428,1370 222.046,1371 627.715,1372 812.29,1373 574,1374 175,1375 527.305,1376 258.357,1377 567.666,1378 829.98,1379 528,1380 6.631}
{0 CHEMBL2152257,1 2.222,2 11.063,3 4.91,4 24.105,5 108.582,6 11.247,7 0.529,8 3.953,9 4.024,10 3.941,11 3.491,12 5.312,13 3.528,14 4.479,15 4.572,16 4.347,17 3.839,18 6.394,19 3.888,20 4.686,21 4.809,22 4.469,23 3.977,24 6.382,25 3.99,26 4.675,27 4.791,28 4.445,29 3.944,30 6.282,31 3.964,32 4.708,33 4.839,34 4.384,35 3.933,36 6.409,37 3.967,38 4.682,39 4.8,40 4.443,41 3.931,42 6.402,43 3.987,44 4.775,45 4.928,46 4.511,47 3.865,48 6.645,49 3.925,50 4.603,51 4.782,52 4.163,53 3.694,54 6.199,55 3.728,56 0.483,57 1.048,58 3.493,59 4.193,60 88.219,61 2.834,62 1.36,63 1.89,64 7.744,65 7.143,66 221.757,67 5.291,68 1.767,69 1.723,70 18.212,71 9.248,72 243.051,73 6.478,74 1.433,75 1.572,76 18.928,77 9.129,78 213.895,79 6.53,80 1.65,81 1.637,82 19.538,83 9.101,84 261.88,85 6.726,86 1.498,87 1.778,88 14.2,89 8.593,90 247.252,91 6.503,92 1.914,93 1.852,94 22.019,95 9.077,96 256.59,97 7.957,98 1.822,99 1.586,100 23.718,101 9.058,102 288.267,103 7.056,104 85,105 51,106 0.381,107 0.715,108 0.826,109 0.894,110 0.894,111 0.894,112 3.503,113 0.911,114 -4.7,115 -4.62,116 -4.34,119 40.9,125 1,132 1,142 6,143 2,144 5,145 1,147 1,150 1,163 1,164 1,165 1,172 6,174 3,175 3,177 2,178 4,180 1,183 6,187 5,192 2,195 4,198 1,199 14,201 1,202 1,204 5,207 1,209 1,212 9,217 3,220 2,222 1,224 2,229 2,232 4,234 2,236 6,237 3,240 3,242 1,245 6,247 1,258 5,263 3,265 2,266 2,267 1,268 1,270 1,271 2,273 1,275 1716,276 20.126,277 20.126,278 20.126,279 20.126,280 20.126,281 17.517,282 16.891,283 11.344,284 21.035,285 16.721,286 16.721,287 16.721,288 16.721,289 16.721,290 12.805,291 14.713,292 5.366,293 18.46,294 3.237,295 1.288,296 0.642,297 0.244,298 0.244,299 0.244,300 4.172,301 1,305 1,306 732,307 4.416,311 333.063,318 1.758,319 84.376,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 76.833,331 354,332 4.9,333 4.716,334 7.409,335 4.369,336 3.453,337 4.758,338 3.02,339 12.926,340 3.14,341 4.4,342 4.271,343 6.522,344 4.007,345 3.121,346 4.073,347 0.86,348 10.275,349 2.919,350 4.29,351 3.379,352 6.386,353 3.878,354 3.005,355 3.957,357 9.925,358 2.696,359 4.094,360 3.167,361 6.333,362 3.835,363 2.904,364 3.462,366 9.376,367 2.428,368 3.885,369 2.834,370 5.624,371 3.372,372 2.441,373 3.096,375 7.325,376 2.249,377 3.561,378 2.395,379 5.277,380 3.098,381 2.191,382 2.924,384 6.44,385 1.952,386 3.249,387 2.389,388 4.98,389 2.821,390 1.89,391 2.5,393 5.467,394 1.744,395 3.176,396 2.25,397 4.812,398 2.738,399 1.846,400 2.393,402 5.254,403 1.613,404 2.866,405 1.824,406 4.172,407 2.384,408 1.414,409 2.029,411 3.444,412 1.36,413 2.722,414 1.488,415 4.075,416 2.207,417 1.274,418 1.82,420 3.196,421 1.172,422 2.66,423 1.348,424 3.866,425 2.147,426 1.161,427 1.715,428 3.139,429 1.132,430 1.821,431 1.111,432 3.352,433 1.506,434 0.664,435 0.746,436 1.598,437 0.553,438 1.555,439 1.048,440 3.278,441 1.228,442 0.376,443 0.421,445 0.892,446 0.309,447 1.373,448 0.655,449 2.865,450 0.969,451 0.104,452 0.125,454 0.245,455 0.08,456 1.107,457 0.51,458 2.75,459 0.702,460 -0.215,461 -0.269,463 -0.52,464 -0.191,465 14.576,466 0.456,467 1.301,468 0.041,469 43.5,470 1.359,471 22.5,472 0.703,473 21,474 0.656,475 25.524,476 0.798,477 36.424,478 0.828,479 41.624,480 1.301,481 8.877,482 0.277,483 5.994,484 0.187,485 0.22,486 0.091,487 0.309,490 3,491 2,493 0.647,494 0.966,495 0.642,496 1.108,497 0.689,498 0.807,499 0.593,500 0.762,501 0.694,502 0.877,503 0.531,504 0.859,505 0.893,506 0.832,507 0.992,508 0.899,509 0.891,510 0.978,511 0.868,512 0.828,513 1.212,514 1.198,515 0.851,516 1.131,517 0.901,518 0.754,519 1.003,520 0.94,521 0.854,522 0.937,523 0.889,524 1.071,525 0.916,526 1.136,527 0.859,528 1.039,529 0.847,530 0.856,531 0.989,532 0.887,533 0.925,534 0.985,535 1.39,536 1.209,537 1.295,538 1.047,539 1.36,540 1.051,541 10,542 0.157,543 5.111,544 3.063,545 2.338,546 1.715,547 1.364,548 0.708,549 0.542,550 0.422,551 12312,552 64435,553 1.926,554 27.3,556 8,558 1,559 3,564 1.75,565 1.73,566 3.434,567 1.039,573 97.772,574 2.222,575 4.171,576 4.817,577 5.215,578 5.215,579 5.215,580 2.891,581 4.015,582 4.972,583 3.636,584 1803.57,585 8.724,586 25909.8,591 240.215,592 1.81,593 4.87,594 0.294,595 0.005,596 0.1,597 0.059,598 0.047,599 0.034,600 0.026,601 0.014,602 0.015,603 0.013,604 0.606,605 0.17,606 0.88,607 1.14,608 166.524,609 -0.055,610 -0.07,611 0.069,612 -0.063,613 -0.124,614 0.047,615 0.226,616 0.195,617 0.035,618 0.079,619 0.262,620 -0.009,621 -0.021,622 0.094,623 -0.04,624 0.127,625 -0.05,626 -0.029,627 -0.098,628 -0.056,629 -0.13,630 -0.148,631 -0.093,632 -0.153,633 -0.074,634 0.035,635 -0.069,636 0.052,637 -0.019,638 0.049,639 -0.081,640 -0.232,641 -0.005,642 -0.164,643 -0.024,644 -0.078,645 0.126,646 0.039,647 0.096,648 0.016,649 0.031,650 0.005,651 -0.305,652 -0.129,653 -0.136,654 0.005,655 -0.274,656 0.051,657 5.926,658 5.893,659 0.563,660 31.75,661 1.08,662 1.161,663 3.473,664 12.061,665 0.702,666 3.555,667 3.951,668 4.127,669 4.357,670 4.595,671 4.673,672 4.771,673 4.812,674 4.92,675 4.92,676 6.843,677 0.724,678 494.86,679 3.555,680 5.142,681 5.979,682 6.884,683 7.745,684 8.65,685 9.521,686 10.426,687 11.304,688 12.209,689 9.1,693 1,694 1,699 2,704 7,705 2,709 9,711 18,722 1,729 1,730 3,731 44,733 20,734 2,735 34,737 46,738 18,739 16,740 6,741 6,746 3,747 3,748 1,752 1,757 1,761 16,762 2,766 2,769 1,771 2,779 5,781 12,782 12,783 3,784 14,785 2,790 4,794 1,795 3,806 1,812 3,840 3,842 1,845 1,846 5,848 32,849 1,852 1,854 1,855 1,856 1,860 1,869 6,870 6.8,873 2,875 1,877 18.5,878 7.84,879 6.722,880 2.195,881 3.411,882 1.453,883 0.994,884 6.795,885 10.934,886 3.829,887 4.505,888 4.992,889 5.55,890 6.096,891 6.348,892 6.701,893 7.034,894 7.392,895 7.635,896 1,897 52,898 13.022,900 6.905,901 8.837,902 20.515,904 16.68,905 3.337,906 106.778,910 105.94,911 123.199,912 82.873,913 39.149,914 55.313,915 74.801,916 5.807,917 117.392,918 200.401,919 157.674,921 4.592,922 95.562,923 106.06,924 97.349,925 36.634,926 94.169,927 46.908,928 105.94,929 200.265,930 130.113,931 44.956,933 135.86,934 100.193,937 23.298,938 126.991,939 94.932,941 180.74,942 138.186,943 162.348,945 5.807,946 113.699,947 43.727,948 65.905,949 16.405,950 235.73,951 105.94,952 212.987,953 162.348,955 0.607,956 0.327,957 0.162,958 0.093,959 24,960 13,961 0.13,962 6,964 1,965 4.001,966 293.443,968 18,969 153.245,973 1,974 23.989,975 9.064,976 5.784,978 212.987,979 7.306,980 7.291,984 -5.294,986 49.302,987 481.274,988 45,991 -4.545,993 25.5,999 47.538,1000 51.09,1001 0.407,1002 0.764,1003 0.882,1004 0.955,1005 0.955,1006 0.955,1007 5.109,1008 1.846,1009 6.061,1010 5.467,1011 4.635,1012 5.193,1013 2.783,1014 6.95,1015 4.447,1016 6.395,1017 1.414,1018 7.689,1019 5.254,1020 4.635,1021 5.387,1022 3.075,1023 8.269,1024 4.271,1025 7.772,1026 1.274,1027 9.427,1028 3.444,1029 6.395,1030 7.53,1031 4.561,1032 11.247,1033 6.021,1034 9.183,1035 1.161,1036 11.228,1037 3.196,1038 7.107,1039 8.453,1040 5.466,1041 13.303,1042 6.56,1043 10.624,1044 0.664,1045 13.068,1046 3.139,1047 8.472,1048 10.194,1049 6.665,1050 15.936,1051 7.901,1052 12.085,1053 0.376,1054 14.935,1055 1.598,1056 9.464,1057 11.436,1058 7.721,1059 18.271,1060 8.748,1061 13.563,1062 0.104,1063 16.823,1064 0.892,1065 10.703,1066 13.037,1067 8.85,1068 20.817,1069 9.94,1070 3.453,1071 -0.215,1072 18.726,1073 0.245,1074 11.81,1075 14.43,1076 9.943,1077 23.268,1078 10.928,1079 3.121,1080 12.926,1081 20.643,1082 -0.52,1083 13.013,1084 15.982,1085 11.055,1086 25.798,1087 12.065,1088 3.005,1089 10.275,1090 22.57,1091 4.758,1092 14.171,1093 17.448,1094 12.157,1095 28.301,1096 13.119,1097 2.904,1098 9.925,1099 24.506,1100 4.073,1101 15.366,1102 18.986,1103 13.264,1104 30.835,1105 14.237,1106 2.441,1107 9.376,1108 26.451,1109 3.957,1110 16.548,1111 20.49,1112 14.368,1113 33.363,1114 15.324,1115 2.191,1116 7.325,1117 28.402,1118 3.462,1119 17.747,1120 22.027,1121 15.474,1122 35.905,1123 16.439,1124 1.89,1125 6.44,1126 30.36,1127 3.096,1128 18.943,1129 23.552,1130 16.579,1131 38.446,1132 17.543,1133 12313,1134 28346,1135 20.978,1136 30.909,1137 52.048,1138 54.066,1139 54.168,1140 51.917,1141 51.693,1142 68.037,1143 7.76,1144 159.004,1145 46.693,1146 5.759,1147 6.716,1148 6.942,1149 5.45,1150 5.453,1151 7.758,1152 4.53,1153 20.733,1154 5.14,1155 22.327,1156 1.531,1157 1.59,1158 1.593,1159 1.527,1160 1.52,1161 2.001,1162 0.228,1163 4.677,1164 1.373,1165 4.112,1166 4.098,1167 4.745,1168 4.094,1169 8.513,1170 4.024,1171 3.911,1172 3.939,1173 3.951,1174 3.815,1175 8.239,1176 3.821,1177 3.815,1178 3.828,1179 3.856,1180 3.695,1181 8.161,1182 3.675,1183 3.58,1184 3.61,1185 3.765,1186 3.437,1187 7.999,1188 3.399,1189 3.53,1190 3.542,1191 3.549,1192 3.232,1193 7.999,1194 3.286,1195 3.061,1196 3.139,1197 3.281,1198 2.876,1199 7.717,1200 2.885,1201 2.93,1202 2.981,1203 2.879,1204 2.734,1205 6.999,1206 2.751,1207 2.891,1208 2.941,1209 2.867,1210 2.73,1211 5.242,1212 2.737,1213 0.144,1214 0.139,1215 0.218,1216 0.129,1217 0.102,1218 4.9,1219 0.14,1220 4.716,1221 0.089,1222 7.409,1223 0.38,1224 4.369,1225 0.092,1226 3.453,1227 4.758,1228 3.02,1229 12.926,1230 3.14,1231 1.996,1232 2.003,1233 1.996,1234 2.069,1235 1.213,1236 2.087,1237 1.864,1238 1.841,1239 1.943,1240 1.986,1241 1.031,1242 1.972,1243 1.684,1244 1.672,1245 1.709,1246 1.859,1247 0.817,1248 1.847,1249 1.398,1250 1.413,1251 1.543,1252 1.704,1253 0.712,1254 1.645,1255 1.356,1256 1.311,1257 1.238,1258 1.558,1259 0.507,1260 1.587,1261 0.98,1262 0.916,1263 1.217,1264 1.27,1265 0.151,1266 1.265,1267 0.843,1268 0.793,1269 1.074,1270 1.074,1271 0.075,1272 1.053,1273 0.828,1274 0.786,1275 0.995,1276 1.04,1277 0.019,1278 1.041,1279 4.234,1281 5.609,1283 7.16,1285 8.79,1287 10.462,1290 5.973,1291 64.96,1293 5.404,1295 -1.685,1296 1.873,1297 4.672,1301 -4.676,1305 31.849,1306 97.772,1307 183.544,1308 211.95,1309 229.46,1310 229.46,1311 229.46,1312 120.062,1313 7.523,1314 107.2,1315 115.58,1316 18,1317 12.733,1318 4.392,1319 3.585,1320 60.907,1321 132,1322 114,1323 0.228,1324 199.526,1325 360.86,1326 478.605,1327 18843,1328 13.6,1329 23.681,1330 0.74,1331 0.537,1332 20.191,1333 17.194,1334 14.871,1335 0.437,1336 0.304,1337 8.376,1338 12.87,1339 8.171,1340 6.656,1341 14.013,1342 10.321,1343 15.318,1344 0.3,1345 0.162,1346 13.637,1347 8.261,1348 11.078,1349 0.182,1350 0.094,1351 10.846,1352 5.72,1353 8.733,1354 0.113,1355 0.053,1356 9.666,1357 4.083,1358 7.1,1359 0.072,1360 0.028,1361 7.461,1362 2.718,1363 0.354,1364 108.034,1365 0.218,1366 29.532,1367 0.64,1368 170,1369 937.761,1370 261.728,1371 811.491,1372 1024.01,1373 740,1374 197,1375 654.214,1376 290.997,1377 671.223,1378 998.69,1379 626,1380 6.959}
{0 CHEMBL2152264,1 1.382,2 8.591,3 2.172,4 4.717,5 87.756,6 7.954,7 0.88,8 3.708,9 3.829,10 3.346,11 3.342,12 4.889,13 3.325,14 4.153,15 4.294,16 3.687,17 3.734,18 5.275,19 3.696,20 4.363,21 4.544,22 3.69,23 3.831,24 5.415,25 3.758,26 4.39,27 4.6,28 3.586,29 3.783,30 5.384,31 3.689,32 4.367,33 4.596,34 3.53,35 3.696,36 5.355,37 3.604,38 4.262,39 4.495,40 3.437,41 3.56,42 5.307,43 3.479,44 4.105,45 4.345,46 3.215,47 3.405,48 5.091,49 3.31,50 3.893,51 4.108,52 3.021,53 3.24,54 4.916,55 3.128,56 0.035,57 0.539,58 6.267,59 2.76,60 8.161,61 3.473,62 0.078,63 0.836,64 10.377,65 4.624,66 9.907,67 5.954,68 0.076,69 1,70 14.207,71 6.135,72 14.952,73 8.136,74 0.089,75 1.007,76 15.757,77 6.626,78 17.283,79 8.98,80 0.101,81 0.989,82 16.198,83 6.433,84 19.071,85 8.818,86 0.17,87 0.926,88 14.667,89 5.394,90 22.84,91 7.322,92 0.145,93 0.776,94 12.769,95 4.669,96 16.938,97 6.34,98 0.064,99 0.608,100 9.62,101 4.123,102 10.786,103 5.652,104 2,105 35,106 0.245,107 0.536,108 0.757,109 0.867,110 0.867,111 0.867,112 3.148,113 0.845,114 -3.47,115 -3.45,116 -3.29,119 50,142 7,143 5,144 1,145 3,151 1,161 1,163 1,164 1,165 1,172 11,175 4,178 1,180 4,183 13,185 2,187 4,192 4,195 10,197 2,199 4,204 5,207 8,209 2,212 4,217 2,220 7,222 1,224 2,226 1,227 2,229 3,232 6,234 1,236 1,237 1,242 2,245 6,247 1,250 1,254 1,255 2,257 1,258 3,260 1,263 2,268 2,271 2,273 2,275 598,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 12.762,282 3.162,283 9.106,284 15.495,285 12.38,286 12.38,287 12.38,288 12.38,289 12.38,290 8.664,291 2.5,292 4.353,293 12.698,294 3.788,295 2.145,296 0.9,297 0.278,298 0.278,299 0.278,300 3.851,303 1,304 1,305 1,306 420,307 1.871,310 43.829,311 174.37,314 78.115,318 1.318,319 10.74,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 189,332 4.621,333 3.185,334 6.726,335 4.169,336 3.184,337 4.566,339 10.973,340 3.137,341 4.204,342 2.846,343 6.154,344 3.828,345 2.833,346 3.83,348 9.116,349 2.82,350 3.899,351 2.48,352 5.716,353 3.439,354 2.464,355 3.491,357 7.648,358 2.402,359 3.595,360 2.267,361 5.042,362 3.178,363 2.201,364 3.021,366 6.053,367 2.149,368 3.226,369 1.749,370 4.637,371 2.694,372 1.748,373 2.567,375 4.654,376 1.651,377 2.94,378 1.5,379 4.283,380 2.449,381 1.473,382 2.14,384 3.983,385 1.436,386 2.802,387 1.327,388 4,389 2.277,390 1.324,391 1.944,393 3.245,394 1.259,395 2.637,396 1.155,397 3.501,398 2.13,399 1.15,400 1.703,402 2.607,403 1.126,404 2.5,405 1,406 3.471,407 1.984,408 1,409 1.5,411 2.473,412 0.983,413 2.5,414 1,415 3.247,416 1.967,417 1,418 1.5,420 2.136,421 0.965,422 2.015,423 0.532,424 3.205,425 1.472,426 0.531,427 0.784,428 1.342,429 0.499,430 1.019,431 -0.245,432 2.627,433 0.605,434 -0.367,435 -0.48,436 -0.843,437 -0.355,438 0.893,439 -0.421,440 2.366,441 0.5,442 -0.46,443 -0.594,445 -1.137,446 -0.439,447 0.724,448 -0.71,449 2.137,450 0.271,451 -0.714,452 -0.987,454 -1.794,455 -0.703,456 0.614,457 -0.876,458 2,459 0.098,460 -0.877,461 -1.306,463 -2.347,464 -0.85,465 10.6,466 0.482,467 0.448,468 0.02,469 34.75,470 1.58,471 20.5,472 0.932,473 14.25,474 0.648,475 12.243,476 0.556,477 21.2,478 0.589,479 22.576,480 1.026,481 6.964,482 0.317,483 3.845,484 0.175,485 0.038,487 0.33,493 1.082,494 1.013,495 0.749,496 0.79,497 1.14,498 0.743,499 0.89,500 0.968,501 0.851,502 0.904,503 0.758,504 0.879,505 0.918,506 1.093,507 1.003,508 1.082,509 0.955,510 1.058,511 0.856,512 1.053,513 1.012,514 1.086,515 0.86,516 1.07,517 0.934,518 1.078,519 0.943,520 1.022,521 0.823,522 0.992,523 1.131,524 0.962,525 1.013,526 0.946,527 1.047,528 0.962,529 1.229,530 0.842,531 1.065,532 0.886,533 1.049,534 0.943,535 0.632,536 1.15,537 1.065,538 1.253,539 0.775,540 1.218,541 3.5,542 0.033,543 2.444,544 1.194,545 0.912,546 0.601,547 0.393,548 0.212,549 0.099,550 0.063,551 5094,552 12940,553 2.205,554 38.9,556 7,557 1,558 3,559 3,564 1.647,565 2.129,566 3.14,567 0.979,568 1,569 1,571 1,573 49.756,574 1.382,575 3.025,576 4.27,577 4.892,578 4.892,579 4.892,580 2.534,581 4.187,582 4.432,583 3.23,584 746.082,585 7.623,586 7981.33,587 1,588 1,590 1,591 186.117,592 1.143,593 4.418,594 0.14,595 0.005,596 0.07,597 0.035,598 0.03,599 0.021,600 0.016,601 0.011,602 0.006,603 0.006,604 0.341,605 0.67,606 1,607 0.405,608 99.809,609 -0.144,610 0.043,611 0.026,612 0.091,613 -0.222,614 0.08,615 -0.015,616 0.053,617 -0.041,618 0.004,619 -0.021,620 -0.017,621 -0.093,622 -0.124,623 -0.118,624 -0.129,625 -0.103,626 -0.127,627 -0.051,628 -0.114,629 -0.07,630 -0.101,631 -0.06,632 -0.09,633 -0.01,634 -0.129,635 0.046,636 -0.034,637 0.057,638 0.003,639 0.053,640 0.052,641 -0.01,642 0.005,643 0.03,644 -0.007,645 -0.099,646 0.157,647 -0.053,648 0.081,649 -0.079,650 0.032,651 0.163,652 -0.227,653 -0.106,654 -0.261,655 0.129,656 -0.223,657 0.916,658 1.876,659 0.955,660 15.744,661 0.995,662 1.113,663 2.237,664 5.006,665 0.717,666 3.258,667 3.584,668 3.892,669 4.19,670 4.431,671 4.511,672 4.682,673 4.82,674 4.875,675 4.942,676 5.184,677 0.687,678 286.36,679 3.258,680 4.796,681 5.659,682 6.544,683 7.426,684 8.318,685 9.209,686 10.105,687 11,688 11.9,689 11.1,693 1,697 1,699 2,703 2,704 11,705 2,706 1,709 5,711 22,722 1,731 36,733 22,734 1,735 25,737 39,738 18,739 18,740 2,741 4,746 4,747 5,761 18,777 1,778 1,781 14,782 3,783 3,784 4,790 4,794 0.75,805 2,807 1,811 1,812 3,815 1,840 3,848 22,849 1,877 10.333,878 6.4,879 4.778,880 2.007,881 4.099,882 1.562,883 1.081,884 3.043,885 11.391,886 3.611,887 4.28,888 4.953,889 5.617,890 6.209,891 6.584,892 7.123,893 7.623,894 7.991,895 8.418,896 0.833,897 34,898 8.05,900 3.436,901 7.598,902 15.488,904 12.874,905 2.098,906 46.167,910 129.482,911 122.311,912 83.254,917 122.311,918 129.482,919 83.254,922 108.278,923 70.6,924 62,925 11.771,926 82.398,928 129.482,929 205.565,933 129.482,937 45.643,938 126.35,939 33.571,941 129.482,942 83.254,943 122.311,946 129.482,947 19.787,948 102.523,949 16.786,950 66.468,951 129.482,952 83.254,953 122.311,955 0.579,956 0.341,957 0.193,958 0.107,959 19,960 7,961 0.051,962 2,963 1,964 1.095,965 3.498,966 181.311,967 0.095,968 21,969 94.107,974 12.9,975 5.19,976 2.344,977 1.964,978 66.468,979 21.408,980 8.592,981 3.22,984 5.107,986 49.683,987 335.047,988 36,999 35.825,1000 40.069,1001 0.267,1002 0.585,1003 0.826,1004 0.946,1005 0.946,1006 0.946,1007 4.816,1008 1.15,1009 5.631,1010 3.245,1011 4.263,1012 4.966,1014 6.447,1015 4.218,1016 6.041,1017 1,1018 7.185,1019 2.607,1020 3.761,1021 4.691,1023 7.345,1024 3.72,1025 7.351,1026 1,1027 8.841,1028 2.473,1029 5.849,1030 7.25,1032 10.478,1033 5.777,1034 8.704,1035 0.531,1036 10.562,1037 2.136,1038 6.217,1039 7.866,1041 12.251,1042 6.15,1043 10.09,1044 -0.367,1045 12.324,1046 1.342,1047 7.739,1048 9.832,1050 14.881,1051 7.647,1052 11.501,1053 -0.46,1054 14.116,1055 -0.843,1056 8.514,1057 10.89,1059 17.005,1060 8.422,1061 12.933,1062 -0.714,1063 15.928,1064 -1.137,1065 9.802,1066 12.593,1068 19.467,1069 9.689,1070 3.184,1071 -0.877,1072 17.756,1073 -1.794,1074 10.771,1075 13.877,1077 21.738,1078 10.652,1079 2.833,1080 10.973,1081 19.596,1082 -2.347,1083 11.962,1084 15.464,1086 24.144,1087 11.827,1088 2.464,1089 9.116,1090 21.445,1091 4.566,1092 13.022,1093 16.863,1095 26.478,1096 12.877,1097 2.201,1098 7.648,1099 23.301,1100 3.83,1101 14.178,1102 18.4,1104 28.868,1105 14.017,1106 1.748,1107 6.053,1108 25.164,1109 3.491,1110 15.282,1111 19.856,1113 31.231,1114 15.107,1115 1.473,1116 4.654,1117 27.032,1118 3.021,1119 16.426,1120 21.375,1122 33.618,1123 16.236,1124 1.324,1125 3.983,1126 28.904,1127 2.567,1128 17.551,1129 22.86,1131 35.995,1132 17.347,1133 4768,1134 7692,1135 17.394,1136 25.83,1137 38.201,1138 37.727,1139 38.363,1140 37.794,1141 37.816,1142 54.09,1144 108.461,1145 36.851,1146 5.275,1147 5.185,1148 6.528,1149 5.214,1150 5.184,1151 7.566,1153 18.108,1154 5.137,1155 5.889,1156 1.528,1157 1.509,1158 1.535,1159 1.512,1160 1.513,1161 2.164,1163 4.338,1164 1.474,1165 4.146,1166 4.18,1167 4.114,1168 4.058,1169 5.132,1170 4.068,1171 3.896,1172 3.928,1173 3.839,1174 3.83,1175 5.05,1176 3.828,1177 3.768,1178 3.817,1179 3.708,1180 3.647,1181 4.865,1182 3.656,1183 3.345,1184 3.403,1185 3.266,1186 3.213,1187 4.518,1188 3.219,1189 3.023,1190 3.127,1191 2.875,1192 2.81,1193 4.264,1194 2.812,1195 2.886,1196 2.956,1197 2.808,1198 2.735,1199 3.906,1200 2.715,1201 2.854,1202 2.925,1203 2.687,1204 2.691,1205 3.674,1206 2.712,1207 2.735,1208 2.808,1209 2.595,1210 2.584,1211 3.663,1212 2.581,1213 0.185,1214 0.127,1215 0.269,1216 0.167,1217 0.127,1218 4.621,1219 0.183,1220 3.185,1222 6.726,1223 0.439,1224 4.169,1225 0.125,1226 3.184,1227 4.566,1229 10.973,1230 3.137,1231 1.992,1232 1.971,1233 2.068,1234 2.072,1235 1.196,1236 2.072,1237 1.863,1238 1.834,1239 1.963,1240 1.966,1241 1.047,1242 1.968,1243 1.714,1244 1.673,1245 1.815,1246 1.874,1247 0.859,1248 1.86,1249 1.387,1250 1.322,1251 1.546,1252 1.609,1253 0.539,1254 1.6,1255 1.066,1256 1.022,1257 1.282,1258 1.312,1259 0.326,1260 1.314,1261 0.968,1262 0.891,1263 1.187,1264 1.15,1265 0.218,1266 1.166,1267 0.886,1268 0.821,1269 1.181,1270 1.062,1271 0.187,1272 1.107,1273 0.694,1274 0.618,1275 0.987,1276 0.928,1277 0.012,1278 0.953,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.727,1285 8.395,1286 6.843,1287 10.056,1293 5.876,1305 24.72,1306 49.756,1307 108.902,1308 153.711,1309 176.117,1310 176.117,1311 176.117,1312 22.519,1313 7.292,1314 67.59,1315 67.59,1316 23,1317 12.423,1318 4.524,1319 3.585,1320 29.823,1321 68,1322 63,1323 0.219,1324 151.762,1325 244.52,1326 362.06,1327 13671,1329 14.941,1330 0.679,1331 0.537,1332 14.941,1333 11.823,1334 10.81,1335 0.432,1336 0.282,1337 6.985,1338 10.564,1339 6.832,1340 5.681,1341 10.81,1342 7.046,1343 9.668,1344 0.276,1345 0.148,1346 9.668,1347 5.184,1348 8.408,1349 0.175,1350 0.078,1351 8.408,1352 3.742,1353 7.29,1354 0.112,1355 0.041,1356 7.29,1357 2.65,1358 5.985,1359 0.072,1360 0.021,1361 5.985,1362 1.766,1363 0.334,1364 66.555,1365 0.24,1366 21.411,1367 0.626,1368 120,1369 296.935,1370 125.912,1371 303.688,1372 431.75,1373 286,1374 143,1375 332.394,1376 149.162,1377 344.401,1378 501.24,1379 325,1380 5.538}
{0 CHEMBL2152265,1 1.382,2 8.591,3 2.172,4 4.717,5 87.756,6 7.954,7 0.88,8 3.708,9 3.829,10 3.346,11 3.342,12 4.889,13 3.325,14 4.153,15 4.294,16 3.687,17 3.734,18 5.274,19 3.696,20 4.363,21 4.543,22 3.694,23 3.826,24 5.421,25 3.754,26 4.394,27 4.609,28 3.589,29 3.766,30 5.393,31 3.676,32 4.348,33 4.576,34 3.533,35 3.673,36 5.358,37 3.588,38 4.234,39 4.461,40 3.429,41 3.556,42 5.287,43 3.476,44 4.1,45 4.331,46 3.216,47 3.417,48 5.076,49 3.32,50 3.934,51 4.166,52 3.023,53 3.24,54 4.948,55 3.129,56 0.035,57 0.539,58 6.267,59 2.76,60 8.161,61 3.473,62 0.078,63 0.836,64 10.377,65 4.624,66 9.583,67 5.954,68 0.068,69 1.001,70 14.167,71 6.145,72 14.827,73 8.163,74 0.101,75 1.019,76 16.049,77 6.527,78 18.513,79 8.848,80 0.133,81 0.987,82 15.848,83 6.143,84 19.9,85 8.387,86 0.166,87 0.899,88 14.082,89 5.239,90 22.676,91 7.086,92 0.099,93 0.761,94 12.41,95 4.743,96 14.03,97 6.44,98 0.087,99 0.638,100 10.481,101 4.222,102 13.354,103 5.805,104 2,105 35,106 0.245,107 0.536,108 0.757,109 0.886,110 0.906,111 0.906,112 3.148,113 0.845,114 -3.47,115 -3.45,116 -3.29,119 50,142 7,143 5,144 1,145 3,151 1,161 1,163 1,164 1,165 1,172 11,175 4,178 1,180 4,183 12,185 2,187 5,192 4,195 10,197 2,199 4,204 4,207 8,209 2,212 3,215 1,217 3,220 7,222 1,223 1,224 3,226 1,227 1,229 3,232 6,234 1,237 1,242 2,245 5,247 1,250 2,254 1,255 2,257 1,258 4,260 1,263 1,268 1,271 2,273 1,275 598,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 12.762,282 3.162,283 9.106,284 15.487,285 12.38,286 12.38,287 12.38,288 12.38,289 12.38,290 8.664,291 2.5,292 4.353,293 12.692,294 3.788,295 2.145,296 0.9,297 0.167,298 0.056,299 0.056,300 3.851,303 1,304 1,305 1,306 420,307 1.871,310 43.829,311 174.37,314 78.115,318 1.318,319 11.02,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 46,331 189,332 4.621,333 3.185,334 6.726,335 4.168,336 3.184,337 4.566,339 10.973,340 3.135,341 4.204,342 2.846,343 6.154,344 3.828,345 2.833,346 3.83,348 9.116,349 2.819,350 3.899,351 2.48,352 5.716,353 3.437,354 2.464,355 3.491,357 7.648,358 2.396,359 3.595,360 2.267,361 5.042,362 3.178,363 2.201,364 3.021,366 6.053,367 2.148,368 3.226,369 1.749,370 4.637,371 2.701,372 1.748,373 2.567,375 4.654,376 1.663,377 2.94,378 1.5,379 4.283,380 2.449,381 1.473,382 2.14,384 3.983,385 1.436,386 2.802,387 1.327,388 4,389 2.289,390 1.324,391 1.944,393 3.245,394 1.274,395 2.637,396 1.155,397 3.501,398 2.134,399 1.15,400 1.703,402 2.607,403 1.13,404 2.5,405 1,406 3.471,407 1.976,408 1,409 1.5,411 2.473,412 0.974,413 2.5,414 1,415 3.247,416 1.954,417 1,418 1.5,420 2.136,421 0.951,422 2.015,423 0.532,424 3.205,425 1.474,426 0.531,427 0.784,428 1.342,429 0.5,430 1.019,431 -0.245,432 2.627,433 0.604,434 -0.367,435 -0.48,436 -0.843,437 -0.355,438 0.893,439 -0.421,440 2.366,441 0.499,442 -0.46,443 -0.594,445 -1.137,446 -0.439,447 0.724,448 -0.71,449 2.137,450 0.263,451 -0.714,452 -0.987,454 -1.794,455 -0.695,456 0.614,457 -0.876,458 2,459 0.098,460 -0.877,461 -1.306,463 -2.347,464 -0.85,465 10.6,466 0.482,467 0.448,468 0.02,469 34.75,470 1.58,471 20.5,472 0.932,473 14.25,474 0.648,475 12.23,476 0.556,477 21.2,478 0.589,479 22.59,480 1.027,481 6.964,482 0.317,483 3.846,484 0.175,485 0.038,487 0.33,493 1.082,494 1.013,495 0.749,496 0.79,497 1.14,498 0.743,499 0.89,500 0.968,501 0.851,502 0.904,503 0.769,504 0.879,505 0.889,506 1.149,507 0.994,508 1.116,509 0.936,510 1.077,511 0.953,512 1.055,513 0.999,514 1.046,515 0.898,516 1.031,517 0.981,518 1.029,519 0.952,520 0.986,521 0.871,522 0.97,523 1.114,524 0.922,525 1.014,526 0.93,527 1.059,528 0.954,529 1.163,530 1.014,531 1.074,532 1.011,533 0.969,534 1.028,535 0.811,536 1.053,537 1.053,538 1.132,539 0.851,540 1.122,541 3.5,542 0.033,543 2.444,544 1.194,545 0.912,546 0.601,547 0.393,548 0.212,549 0.099,550 0.063,551 5094,552 12824,553 2.205,554 38.9,556 7,557 1,558 3,559 3,564 1.647,565 2.129,566 3.14,567 0.979,568 1,569 1,571 1,573 49.756,574 1.382,575 3.025,576 4.27,577 5.003,578 5.114,579 5.114,580 2.534,581 4.187,582 4.432,583 3.23,584 746.082,585 7.623,586 7981.33,587 1,588 1,590 1,591 186.117,592 1.143,593 4.418,594 0.14,595 0.005,596 0.07,597 0.035,598 0.03,599 0.021,600 0.016,601 0.011,602 0.006,603 0.006,604 0.341,605 0.67,606 1,607 0.405,608 99.809,609 -0.144,610 0.043,611 0.026,612 0.091,613 -0.222,614 0.08,615 -0.015,616 0.053,617 -0.041,618 0.004,619 -0.032,620 -0.017,621 -0.064,622 -0.181,623 -0.109,624 -0.164,625 -0.082,626 -0.146,627 -0.065,628 -0.101,629 -0.042,630 -0.068,631 -0.052,632 -0.055,633 0.038,634 -0.054,635 0.038,636 -0.014,637 0.056,638 0.007,639 0.043,640 0.092,641 -0.024,642 0.02,643 0.018,644 -0.003,645 -0.146,646 -0.041,647 -0.081,648 -0.037,649 -0.079,650 -0.049,651 0.102,652 -0.111,653 -0.058,654 -0.14,655 0.12,656 -0.122,657 0.917,658 1.875,659 0.955,660 15.744,661 0.995,662 1.113,663 2.237,664 5.006,665 0.717,666 3.258,667 3.584,668 3.892,669 4.19,670 4.431,671 4.511,672 4.682,673 4.82,674 4.875,675 4.942,676 5.184,677 0.687,678 286.36,679 3.258,680 4.796,681 5.659,682 6.544,683 7.426,684 8.318,685 9.209,686 10.105,687 11,688 11.9,689 11.1,693 1,697 1,699 2,703 2,704 11,705 2,706 1,709 5,711 22,722 1,731 36,733 22,734 1,735 25,737 39,738 18,739 18,740 2,741 4,746 4,747 5,761 18,777 1,778 1,781 14,782 3,783 3,784 4,790 4,794 0.75,805 2,807 1,811 1,812 3,815 1,840 3,848 22,849 1,877 10.333,878 6.4,879 4.778,880 2.007,881 4.099,882 1.562,883 1.081,884 3.043,885 11.391,886 3.611,887 4.28,888 4.953,889 5.617,890 6.209,891 6.584,892 7.123,893 7.623,894 7.991,895 8.418,896 0.833,897 34,898 8.051,900 3.438,901 7.598,902 15.488,904 12.874,905 2.098,906 46.167,910 129.482,911 122.311,912 83.254,917 122.311,918 129.482,919 83.254,922 108.278,923 70.6,924 62,925 11.771,926 82.398,928 129.482,929 205.565,933 129.482,937 45.643,938 126.35,939 33.571,941 129.482,942 83.254,943 122.311,946 129.482,947 19.787,948 102.523,949 16.786,950 66.468,951 129.482,952 83.254,953 122.311,955 0.579,956 0.341,957 0.193,958 0.107,959 19,960 7,961 0.051,962 2,963 1,964 1.095,965 3.498,966 181.311,967 0.095,968 21,969 98.107,974 12.9,975 5.19,976 2.344,977 1.944,978 66.468,979 21.404,980 8.705,981 3.213,984 5.026,986 49.683,987 335.047,988 36,999 35.825,1000 40.069,1001 0.267,1002 0.585,1003 0.826,1004 0.968,1005 0.989,1006 0.989,1007 4.816,1008 1.15,1009 5.631,1010 3.245,1011 4.263,1012 4.966,1014 6.447,1015 4.218,1016 6.041,1017 1,1018 7.185,1019 2.607,1020 3.761,1021 4.691,1023 7.345,1024 3.72,1025 7.351,1026 1,1027 8.841,1028 2.473,1029 5.849,1030 7.25,1032 10.478,1033 5.775,1034 8.704,1035 0.531,1036 10.562,1037 2.136,1038 6.217,1039 7.866,1041 12.251,1042 6.148,1043 10.09,1044 -0.367,1045 12.324,1046 1.342,1047 7.739,1048 9.832,1050 14.881,1051 7.644,1052 11.501,1053 -0.46,1054 14.116,1055 -0.843,1056 8.514,1057 10.89,1059 17.005,1060 8.419,1061 12.933,1062 -0.714,1063 15.928,1064 -1.137,1065 9.802,1066 12.593,1068 19.467,1069 9.685,1070 3.184,1071 -0.877,1072 17.756,1073 -1.794,1074 10.771,1075 13.877,1077 21.738,1078 10.648,1079 2.833,1080 10.973,1081 19.596,1082 -2.347,1083 11.962,1084 15.464,1086 24.144,1087 11.822,1088 2.464,1089 9.116,1090 21.445,1091 4.566,1092 13.022,1093 16.863,1095 26.478,1096 12.872,1097 2.201,1098 7.648,1099 23.301,1100 3.83,1101 14.178,1102 18.4,1104 28.868,1105 14.011,1106 1.748,1107 6.053,1108 25.164,1109 3.491,1110 15.282,1111 19.856,1113 31.231,1114 15.101,1115 1.473,1116 4.654,1117 27.032,1118 3.021,1119 16.426,1120 21.375,1122 33.618,1123 16.23,1124 1.324,1125 3.983,1126 28.904,1127 2.567,1128 17.551,1129 22.86,1131 35.995,1132 17.34,1133 4768,1134 7660,1135 17.394,1136 25.83,1137 38.201,1138 37.727,1139 38.363,1140 37.791,1141 37.816,1142 54.09,1144 108.461,1145 36.855,1146 5.275,1147 5.185,1148 6.528,1149 5.214,1150 5.184,1151 7.566,1153 18.108,1154 5.135,1155 5.889,1156 1.528,1157 1.509,1158 1.535,1159 1.512,1160 1.513,1161 2.164,1163 4.338,1164 1.474,1165 4.145,1166 4.18,1167 4.114,1168 4.057,1169 5.132,1170 4.067,1171 3.895,1172 3.928,1173 3.839,1174 3.828,1175 5.051,1176 3.827,1177 3.77,1178 3.818,1179 3.708,1180 3.651,1181 4.859,1182 3.659,1183 3.347,1184 3.404,1185 3.268,1186 3.221,1187 4.517,1188 3.226,1189 3.024,1190 3.127,1191 2.879,1192 2.813,1193 4.259,1194 2.816,1195 2.917,1196 2.982,1197 2.822,1198 2.764,1199 3.897,1200 2.768,1201 2.767,1202 2.85,1203 2.627,1204 2.601,1205 3.798,1206 2.595,1207 2.735,1208 2.809,1209 2.596,1210 2.561,1211 3.584,1212 2.566,1213 0.185,1214 0.127,1215 0.269,1216 0.167,1217 0.127,1218 4.621,1219 0.183,1220 3.185,1222 6.726,1223 0.439,1224 4.168,1225 0.125,1226 3.184,1227 4.566,1229 10.973,1230 3.135,1231 1.992,1232 1.97,1233 2.067,1234 2.072,1235 1.195,1236 2.072,1237 1.861,1238 1.832,1239 1.962,1240 1.965,1241 1.042,1242 1.967,1243 1.715,1244 1.675,1245 1.817,1246 1.874,1247 0.862,1248 1.861,1249 1.401,1250 1.339,1251 1.56,1252 1.613,1253 0.568,1254 1.606,1255 1.078,1256 1.033,1257 1.284,1258 1.313,1259 0.341,1260 1.315,1261 0.971,1262 0.892,1263 1.21,1264 1.162,1265 0.187,1266 1.182,1267 0.778,1268 0.712,1269 1.059,1270 0.99,1271 0.111,1272 1.016,1273 0.693,1274 0.614,1275 0.985,1276 0.93,1277 0.001,1278 0.955,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.727,1285 8.395,1286 6.843,1287 10.056,1293 5.875,1305 24.72,1306 49.756,1307 108.902,1308 153.711,1309 180.117,1310 184.117,1311 184.117,1312 22.702,1313 7.292,1314 67.59,1315 67.59,1316 23,1317 12.423,1318 4.524,1319 3.585,1320 29.823,1321 68,1322 63,1323 0.219,1324 151.762,1325 244.52,1326 362.06,1327 13671,1329 14.941,1330 0.679,1331 0.537,1332 14.941,1333 11.823,1334 10.81,1335 0.432,1336 0.282,1337 6.985,1338 10.568,1339 6.831,1340 5.683,1341 10.81,1342 7.046,1343 9.668,1344 0.276,1345 0.148,1346 9.668,1347 5.19,1348 8.408,1349 0.175,1350 0.078,1351 8.408,1352 3.724,1353 7.29,1354 0.112,1355 0.041,1356 7.29,1357 2.64,1358 5.985,1359 0.072,1360 0.021,1361 5.985,1362 1.762,1363 0.334,1364 66.555,1365 0.24,1366 21.411,1367 0.626,1368 120,1369 296.935,1370 125.912,1371 303.819,1372 431.79,1373 286,1374 143,1375 332.394,1376 149.328,1377 344.696,1378 501.68,1379 325,1380 5.347}
{0 CHEMBL2152268,1 1.36,2 9.333,3 3.201,4 10.249,5 95.651,6 8.168,7 0.815,8 3.752,9 3.865,10 3.408,11 3.423,12 4.988,13 3.403,14 4.192,15 4.321,16 3.755,17 3.818,18 5.335,19 3.777,20 4.434,21 4.606,22 3.792,23 3.928,24 5.553,25 3.856,26 4.476,27 4.685,28 3.7,29 3.876,30 5.558,31 3.789,32 4.419,33 4.636,34 3.643,35 3.793,36 5.488,37 3.71,38 4.329,39 4.541,40 3.592,41 3.693,42 5.467,43 3.623,44 4.237,45 4.461,46 3.397,47 3.568,48 5.384,49 3.48,50 4.071,51 4.307,52 3.195,53 3.408,54 5.114,55 3.305,56 0.034,57 0.533,58 6.05,59 2.825,60 10.52,61 3.457,62 0.059,63 0.821,64 9.907,65 4.82,66 8.811,67 6.135,68 0.059,69 1.041,70 14.366,71 6.558,72 18.038,73 8.558,74 0.11,75 1.1,76 16.813,77 7.019,78 27.45,79 9.273,80 0.107,81 1.044,82 16.319,83 6.666,84 24.65,85 8.866,86 0.125,87 0.98,88 14.611,89 5.81,90 25.67,91 7.632,92 0.182,93 0.914,94 13.624,95 5.112,96 32.165,97 6.599,98 0.08,99 0.721,100 12.174,101 4.975,102 16.685,103 6.751,104 6,105 38,106 0.236,107 0.549,108 0.745,109 0.875,110 0.894,111 0.903,112 3.229,113 0.842,114 -4.12,115 -4.07,116 -3.85,119 52.6,142 9,143 6,144 1,145 1,151 1,158 1,161 1,163 1,164 1,165 1,172 15,175 3,178 1,180 4,183 18,185 2,187 5,192 4,195 15,197 2,199 5,204 5,207 11,209 2,212 6,217 3,220 10,222 1,224 3,228 1,229 4,231 1,232 9,234 1,236 1,237 2,239 1,240 1,242 3,245 9,247 1,250 1,255 2,258 8,260 1,263 1,266 1,268 2,271 6,273 2,275 772,276 16.61,277 16.61,278 16.61,279 16.61,280 16.61,281 14.015,282 6.487,283 9.731,284 16.75,285 13.291,286 13.291,287 13.291,288 13.291,289 13.291,290 9.313,291 4.844,292 4.555,293 13.53,294 3.888,295 2.088,296 0.961,297 0.211,298 0.105,299 0.053,300 3.93,303 1,304 1,305 1,306 492,307 2.236,310 49.238,311 195.677,314 87.698,318 1.444,319 14.65,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50,331 224,332 4.625,333 4.058,334 6.729,335 4.174,336 3.189,337 4.568,338 2.035,339 10.989,340 3.143,341 4.243,342 3.19,343 6.163,344 3.849,345 2.851,346 3.873,348 9.157,349 2.844,350 4.019,351 2.841,352 5.757,353 3.552,354 2.572,355 3.645,357 7.84,358 2.52,359 3.802,360 2.601,361 5.276,362 3.299,363 2.308,364 3.17,366 6.677,367 2.287,368 3.471,369 2.31,370 5.03,371 3.041,372 2.074,373 2.822,375 5.91,376 2.004,377 3.199,378 2.125,379 4.505,380 2.501,381 1.518,382 2.267,384 4.317,385 1.491,386 2.962,387 1.519,388 4.312,389 2.45,390 1.485,391 2.17,393 3.981,394 1.428,395 2.796,396 1.505,397 3.924,398 2.213,399 1.228,400 1.809,402 2.974,403 1.208,404 2.676,405 1.235,406 3.485,407 2.13,408 1.141,409 1.695,411 2.558,412 1.128,413 2.604,414 1.142,415 3.471,416 1.979,417 1,418 1.5,420 2.467,421 0.978,422 2.5,423 1,424 3.226,425 1.48,426 0.535,427 0.877,428 1.363,429 0.504,430 2.016,431 0.534,432 2.722,433 1.372,434 0.427,435 0.781,436 0.621,437 0.402,438 1.018,439 -0.05,440 2.6,441 0.597,442 -0.374,443 -0.489,445 -0.86,446 -0.362,447 0.921,448 -0.246,449 2.47,450 0.525,451 -0.442,452 -0.578,454 -1.105,455 -0.426,456 0.795,457 -0.422,458 2.16,459 0.28,460 -0.706,461 -0.993,463 -1.599,464 -0.695,465 11.6,466 0.483,467 0.516,468 0.022,469 38.5,470 1.604,471 23.5,472 0.979,473 15,474 0.625,475 13.725,476 0.572,477 22.6,478 0.595,479 26.21,480 1.092,481 7.598,482 0.317,483 4.143,484 0.173,485 0.069,487 0.345,493 1.01,494 0.894,495 0.731,496 0.737,497 0.717,498 0.71,499 0.679,500 0.923,501 0.81,502 0.914,503 0.465,504 0.884,505 0.818,506 1.127,507 0.987,508 1.118,509 0.658,510 1.081,511 1.003,512 1.016,513 1.021,514 1.024,515 0.935,516 1.024,517 1.011,518 1.036,519 0.956,520 0.984,521 0.802,522 0.969,523 1.102,524 1.083,525 0.98,526 1.001,527 0.868,528 0.982,529 1.351,530 0.871,531 1.19,532 0.96,533 1.15,534 1.037,535 0.888,536 0.946,537 0.95,538 0.967,539 0.734,540 0.966,541 4.5,542 0.066,543 2.667,544 1.382,545 1.143,546 0.75,547 0.489,548 0.25,549 0.189,550 0.107,551 6336,552 17154,553 2.161,554 36.8,556 9,557 1,558 1,559 3,564 1.671,565 2.057,566 3.249,567 0.915,568 1,569 1,571 1,573 51.68,574 1.36,575 3.16,576 4.287,577 5.037,578 5.143,579 5.195,580 2.705,581 4.502,582 4.557,583 3.35,584 924.738,585 7.875,586 10599.3,587 1,588 1,589 1,590 1,591 199.421,592 1.281,593 4.532,594 0.167,595 0.007,596 0.07,597 0.036,598 0.034,599 0.023,600 0.016,601 0.01,602 0.009,603 0.007,604 0.38,605 0.5,606 1,607 0.681,608 112.809,609 -0.15,610 0.11,611 0.013,612 0.118,613 -0.08,614 0.091,615 0.048,616 0.033,617 -0.03,618 -0.018,619 0.002,620 -0.03,621 -0.038,622 -0.188,623 -0.106,624 -0.173,625 -0.014,626 -0.152,627 -0.09,628 -0.059,629 -0.053,630 -0.045,631 -0.081,632 -0.045,633 -0.045,634 -0.07,635 0.037,636 0.002,637 -0.008,638 0.023,639 0.015,640 -0.077,641 0.005,642 -0.044,643 0.021,644 -0.026,645 -0.094,646 0.175,647 -0.187,648 -0.012,649 -0.075,650 -0.09,651 -0.007,652 -0.013,653 0.088,654 0.06,655 0.049,656 0.079,657 1.03,658 3.084,659 0.875,660 18.778,661 0.995,662 1.107,663 2.893,664 8.368,665 0.732,666 3.332,667 3.664,668 3.97,669 4.263,670 4.511,671 4.615,672 4.779,673 4.927,674 5.004,675 5.1,676 5.592,677 0.703,678 310.38,679 3.332,680 4.875,681 5.74,682 6.627,683 7.509,684 8.404,685 9.294,686 10.192,687 11.087,688 11.988,689 10.5,693 1,697 1,698 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,713 1,722 1,731 38,733 23,734 2,735 27,737 41,738 20,739 19,740 4,741 8,746 4,747 5,760 1,761 19,777 1,778 1,781 14,782 3,783 3,784 4,790 4,794 0.75,805 1,807 1,811 1,812 3,815 1,840 3,848 24,849 1,861 1,866 1,868 1,877 11.667,878 6.9,879 5.278,880 2.153,881 4.366,882 1.582,883 1.067,884 3.44,885 11.871,886 3.714,887 4.36,888 5.044,889 5.695,890 6.293,891 6.697,892 7.228,893 7.722,894 8.124,895 8.586,896 1,897 38,898 8.771,900 3.755,901 7.722,902 16.725,904 13.901,905 2.222,906 53.333,910 129.482,911 142.956,912 97.528,917 142.956,918 129.482,919 97.528,922 127.231,923 46.874,924 78.15,925 11.771,926 105.94,928 129.482,929 240.483,933 129.482,937 58.608,938 165.09,939 16.786,941 129.482,942 97.528,943 142.956,946 129.482,947 22.973,948 103.381,949 33.387,950 80.742,951 129.482,952 97.528,953 142.956,955 0.579,956 0.346,957 0.191,958 0.106,959 20,960 8,961 0.049,962 2,963 1,964 1.095,965 3.633,966 203.733,967 0.095,968 21,969 110.039,974 14.352,975 5.752,976 2.627,977 1.855,978 80.742,979 21.179,980 4.512,981 3.203,984 5.423,986 49.683,987 369.965,988 40,999 37.825,1000 42.069,1001 0.259,1002 0.602,1003 0.817,1004 0.96,1005 0.98,1006 0.99,1007 4.938,1008 1.228,1009 5.72,1010 3.981,1011 4.344,1012 5.047,1013 2.228,1014 6.541,1015 4.31,1016 6.176,1017 1.141,1018 7.28,1019 2.974,1020 3.892,1021 4.808,1023 7.445,1024 3.856,1025 7.494,1026 1,1027 8.939,1028 2.558,1029 5.943,1030 7.336,1031 3.563,1032 10.559,1033 5.886,1034 8.848,1035 0.535,1036 10.657,1037 2.467,1038 6.33,1039 7.971,1041 12.313,1042 6.269,1043 10.234,1044 0.427,1045 12.414,1046 1.363,1047 7.829,1048 9.912,1049 4.962,1050 14.937,1051 7.752,1052 11.642,1053 -0.374,1054 14.198,1055 0.621,1056 8.608,1057 10.975,1059 17.046,1060 8.523,1061 13.07,1062 -0.442,1063 16.003,1064 -0.86,1065 9.882,1066 12.663,1067 6.378,1068 19.506,1069 9.784,1070 3.189,1071 -0.706,1072 17.823,1073 -1.105,1074 10.849,1075 13.946,1077 21.769,1078 10.74,1079 2.851,1080 10.989,1081 19.655,1082 -1.599,1083 12.033,1084 15.523,1085 7.797,1086 24.175,1087 11.911,1088 2.572,1089 9.157,1090 21.498,1091 4.568,1092 13.09,1093 16.918,1095 26.506,1096 12.955,1097 2.308,1098 7.84,1099 23.349,1100 3.873,1101 14.241,1102 18.449,1103 9.217,1104 28.895,1105 14.093,1106 2.074,1107 6.677,1108 25.206,1109 3.645,1110 15.341,1111 19.901,1113 31.257,1114 15.179,1115 1.518,1116 5.91,1117 27.07,1118 3.17,1119 16.483,1120 21.415,1121 10.638,1122 33.644,1123 16.307,1124 1.485,1125 4.317,1126 28.938,1127 2.822,1128 17.605,1129 22.897,1131 36.021,1132 17.415,1133 6006,1134 9974,1135 18.493,1136 27.83,1137 42.268,1138 43.541,1139 41.831,1140 40.614,1141 40.655,1142 58.355,1143 4.069,1144 117.709,1145 39.876,1146 5.288,1147 6.058,1148 6.319,1149 5.22,1150 5.189,1151 7.568,1152 4.069,1153 18.153,1154 5.143,1155 8.987,1156 1.565,1157 1.613,1158 1.549,1159 1.504,1160 1.506,1161 2.161,1162 0.151,1163 4.36,1164 1.477,1165 4.15,1166 4.183,1167 4.118,1168 4.068,1169 6.82,1170 4.076,1171 3.912,1172 3.939,1173 3.863,1174 3.862,1175 5.132,1176 3.859,1177 3.814,1178 3.855,1179 3.755,1180 3.723,1181 5.036,1182 3.727,1183 3.37,1184 3.42,1185 3.313,1186 3.257,1187 4.683,1188 3.264,1189 3.141,1190 3.199,1191 3.086,1192 2.99,1193 4.494,1194 3.006,1195 3.043,1196 3.146,1197 2.911,1198 2.825,1199 4.252,1200 2.834,1201 2.912,1202 2.978,1203 2.801,1204 2.762,1205 3.879,1206 2.762,1207 2.747,1208 2.818,1209 2.607,1210 2.606,1211 3.607,1212 2.598,1213 0.171,1214 0.15,1215 0.249,1216 0.155,1217 0.118,1218 4.625,1219 0.169,1220 4.058,1221 0.075,1222 6.729,1223 0.407,1224 4.174,1225 0.116,1226 3.189,1227 4.568,1228 2.035,1229 10.989,1230 3.143,1231 2.002,1232 1.983,1233 2.075,1234 2.073,1235 1.209,1236 2.074,1237 1.909,1238 1.884,1239 2.009,1240 1.99,1241 1.099,1242 1.998,1243 1.738,1244 1.704,1245 1.826,1246 1.872,1247 0.902,1248 1.861,1249 1.425,1250 1.366,1251 1.577,1252 1.632,1253 0.596,1254 1.625,1255 1.146,1256 1.109,1257 1.28,1258 1.317,1259 0.345,1260 1.313,1261 1.028,1262 0.976,1263 1.234,1264 1.278,1265 0.189,1266 1.267,1267 0.976,1268 0.896,1269 1.206,1270 1.155,1271 0.187,1272 1.177,1273 0.749,1274 0.685,1275 1.026,1276 0.94,1277 0.08,1278 0.972,1279 4.007,1281 5.333,1282 2.398,1283 6.862,1284 4.727,1285 8.479,1286 6.843,1287 10.143,1293 5.905,1303 9.084,1304 2.172,1305 26.72,1306 51.68,1307 120.083,1308 162.892,1309 191.421,1310 195.421,1311 197.421,1312 29.145,1313 7.504,1314 78.49,1315 78.49,1316 23,1317 12.51,1318 4.585,1319 3.807,1320 33.777,1321 80,1322 82,1323 0.21,1324 165.092,1325 273.84,1326 394.585,1327 17901,1329 16.518,1330 0.688,1331 0.534,1332 16.518,1333 12.823,1334 11.742,1335 0.435,1336 0.281,1337 7.529,1338 11.53,1339 7.352,1340 6.117,1341 11.742,1342 7.58,1343 10.471,1344 0.276,1345 0.148,1346 10.471,1347 5.641,1348 9.159,1349 0.176,1350 0.078,1351 9.159,1352 4.054,1353 7.82,1354 0.112,1355 0.041,1356 7.82,1357 2.875,1358 6.42,1359 0.071,1360 0.022,1361 6.42,1362 1.939,1363 0.322,1364 72,1365 0.233,1366 23.132,1367 0.594,1368 130,1369 328.935,1370 135.218,1371 340.558,1372 477.08,1373 318,1374 155,1375 361.69,1376 160.495,1377 377.098,1378 546.16,1379 355,1380 4.921}
{0 CHEMBL2158011,1 1.683,2 16.079,3 4.321,4 18.671,5 147.027,6 7.936,7 0.585,8 4.297,9 4.415,10 4.026,11 3.85,12 5.419,13 3.819,14 4.809,15 4.981,16 4.334,17 4.212,18 6.084,19 4.161,20 5.032,21 5.224,22 4.418,23 4.373,24 6.173,25 4.302,26 5.13,27 5.31,28 4.371,29 4.387,30 6.375,31 4.32,32 5.167,33 5.38,34 4.287,35 4.378,36 6.356,37 4.298,38 5.08,39 5.31,40 4.197,41 4.326,42 6.104,43 4.224,44 5.022,45 5.269,46 4.149,47 4.244,48 6.101,49 4.132,50 4.904,51 5.14,52 4.093,53 4.151,54 5.97,55 4.055,56 0.117,57 1.062,58 15.519,59 5.925,60 18.763,61 7.315,62 0.57,63 1.633,64 25.69,65 9.673,66 62.509,67 12.466,68 0.406,69 1.957,70 39.191,71 13.036,72 57.315,73 15.822,74 0.631,75 2.022,76 43.369,77 13.841,78 106.825,79 16.393,80 0.78,81 2.026,82 41.181,83 13.875,84 118.07,85 17.958,86 0.457,87 1.932,88 36.44,89 12.854,90 67.364,91 17.969,92 0.604,93 1.823,94 34.792,95 12.296,96 70.499,97 17.387,98 0.355,99 1.629,100 31.392,101 11.132,102 47.879,103 15.269,104 54,105 57,106 0.263,107 0.574,108 0.734,109 0.837,110 0.848,111 0.848,112 3.667,113 0.99,114 -3.35,115 -3.34,116 -3.2,119 40.3,120 2,124 1,125 2,142 11,143 2,144 3,145 2,146 2,150 1,159 1,172 8,174 4,175 8,178 4,179 1,180 4,183 10,187 11,192 3,195 8,199 16,204 6,207 6,211 1,212 11,215 3,217 4,220 9,224 5,227 1,229 2,232 10,236 7,237 3,240 1,242 4,245 10,249 1,250 3,253 1,255 4,258 4,263 15,266 1,268 4,271 4,275 3020,276 25.692,277 25.692,278 25.692,279 25.692,280 25.692,281 22.529,282 27.217,283 15,284 26.34,285 20.039,286 20.039,287 20.039,288 20.039,289 20.039,290 15.12,291 39.663,292 6.836,293 20.956,294 4.383,295 2.385,296 1.359,297 0.702,298 0.631,299 0.631,300 4.359,305 1,306 1286,307 4.583,311 535.794,318 2.666,319 43.164,322 0.75,323 0.67,324 0.67,325 0.5,327 0.83,328 1,329 0.63,330 82.5,331 611,332 4.932,333 4.726,334 7.666,335 4.432,336 3.51,337 4.762,338 1.656,339 13.604,340 3.21,341 4.362,342 3.54,343 6.278,344 3.968,345 2.99,346 4.043,347 0.4,348 9.553,349 2.929,350 4.158,351 3.005,352 6.042,353 3.757,354 2.791,355 3.767,356 0.4,357 8.755,358 2.702,359 3.959,360 2.851,361 5.696,362 3.571,363 2.609,364 3.488,365 0.247,366 7.759,367 2.506,368 3.845,369 2.678,370 5.469,371 3.48,372 2.511,373 3.327,375 7.315,376 2.425,377 3.63,378 2.513,379 5.43,380 3.189,381 2.238,382 2.99,384 6.612,385 2.119,386 3.439,387 2.41,388 5.007,389 3.031,390 2.051,391 2.679,393 5.603,394 1.995,395 3.17,396 2.164,397 4.78,398 2.849,399 1.911,400 2.389,402 5.315,403 1.782,404 3.053,405 1.706,406 4.487,407 2.607,408 1.644,409 2.238,411 4.487,412 1.577,413 2.824,414 1.468,415 4.191,416 2.378,417 1.406,418 1.894,420 3.616,421 1.363,422 2.732,423 1.297,424 4.073,425 2.23,426 1.262,427 1.808,428 3.345,429 1.218,430 2.604,431 1.147,432 3.503,433 2.097,434 1.123,435 1.652,436 2.589,437 1.091,438 2.588,439 1.12,440 3.482,441 2.074,442 1.079,443 1.591,445 2.503,446 1.072,447 2.5,448 1.096,449 3.456,450 2,451 1,452 1.5,454 2.401,455 1,456 2.5,457 1,458 3.414,459 1.937,460 1,461 1.5,463 2.275,464 0.934,465 18.133,466 0.477,467 0.926,468 0.024,469 54.25,470 1.428,471 29.5,472 0.776,473 24.75,474 0.651,475 30.434,476 0.801,477 40.667,478 0.607,479 47.218,480 1.243,481 10.66,482 0.281,483 7.673,484 0.202,485 0.138,486 0.046,487 0.27,493 0.655,494 1.444,495 0.815,496 1.219,497 0.655,498 0.964,499 0.585,500 0.975,501 0.792,502 0.876,503 0.542,504 0.878,505 1.104,506 1.114,507 1.229,508 1.137,509 0.908,510 0.921,511 1.616,512 1.166,513 1.399,514 1.225,515 1.703,516 1.078,517 1.309,518 0.925,519 1.012,520 0.889,521 1.472,522 0.969,523 0.808,524 1.073,525 0.849,526 0.979,527 0.79,528 1.046,529 0.473,530 0.879,531 0.767,532 0.867,533 0.392,534 0.964,535 0.664,536 1.062,537 0.816,538 0.969,539 0.538,540 0.959,541 9,542 0.301,543 4.667,544 2.875,545 1.547,546 1.264,547 0.888,548 0.549,549 0.386,550 0.355,551 23821,552 69886,553 2.031,554 43.3,556 18,558 2,559 3,561 6,564 1.784,565 1.892,566 3.953,567 0.817,573 112.758,574 1.683,575 3.681,576 4.707,577 5.364,578 5.435,579 5.435,580 3.432,581 4.827,582 5.216,583 4.137,584 2908.25,585 9.173,586 50449,591 406.428,592 1.538,593 5.168,594 0.22,595 0.008,596 0.082,597 0.046,598 0.026,599 0.023,600 0.018,601 0.012,602 0.009,603 0.008,604 0.45,605 0.33,606 0.75,607 1.295,608 214.572,609 0.032,610 -0.226,611 0.173,612 -0.095,613 -0.132,614 0.002,615 0.331,616 0.154,617 0.138,618 0.114,619 0.232,620 0.061,621 -0.14,622 -0.018,623 -0.046,624 0.001,625 -0.006,626 0.063,627 -0.297,628 -0.129,629 -0.263,630 -0.136,631 -0.189,632 -0.12,633 -0.132,634 0.042,635 -0.102,636 0.044,637 -0.161,638 -0.009,639 -0.043,640 -0.102,641 -0.001,642 -0.048,643 -0.088,644 -0.047,645 0.233,646 0.104,647 0.101,648 0.048,649 0.145,650 0.031,651 0.073,652 -0.074,653 0.102,654 -0.004,655 0.078,656 0.045,657 4.503,658 5.906,659 0.632,660 51.075,661 1.007,662 1.128,663 2.125,664 4.515,665 0.678,666 3.738,667 4.06,668 4.317,669 4.522,670 4.718,671 4.762,672 4.949,673 5.05,674 5.159,675 5.252,676 9.206,677 0.646,678 531.7,679 3.738,680 5.283,681 6.129,682 7.004,683 7.865,684 8.744,685 9.611,686 10.491,687 11.362,688 12.242,689 10.4,692 1,696 2,697 1,699 3,704 13,705 3,709 8,711 24,724 1,731 67,733 27,734 2,735 41,737 70,738 27,739 21,740 4,741 8,746 4,747 4,751 1,752 2,761 22,762 5,766 3,769 1,771 3,775 1,781 29,782 10,783 3,784 11,785 1,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 3,848 38,852 1,854 2,855 3,859 1,870 4.5,873 3,877 20.083,878 12.8,879 8.556,880 4.06,881 4.844,882 1.577,883 0.989,884 8.694,885 13.247,886 4.043,887 4.654,888 5.193,889 5.734,890 6.293,891 6.527,892 7.027,893 7.403,894 7.815,895 8.219,896 0.909,897 62,898 14.244,900 6.192,901 7.879,902 26.433,904 21.214,905 2.379,906 90.417,910 306.049,911 183.523,912 105.907,914 69.458,916 5.807,917 177.716,918 375.507,919 105.907,920 26.047,921 40.233,922 110.046,923 143.357,924 56.573,925 6.175,926 282.506,928 306.049,929 283.623,930 69.458,931 5.807,933 235.422,934 140.084,937 102.92,938 130.346,939 56.164,941 306.049,942 175.365,943 183.523,945 5.807,946 306.049,947 29.335,948 149.899,949 54.032,950 119.814,951 306.049,952 175.365,953 183.523,955 0.577,956 0.347,957 0.179,958 0.09,959 25,960 12,961 0.129,962 9,964 1,965 4.754,966 359.33,968 24,969 189.421,973 1,974 27.21,975 12.142,976 6.551,978 175.365,979 22.9,980 13.401,984 4.924,986 54.032,987 664.937,988 56,991 -3.587,993 37.325,997 -0.289,999 67.491,1000 75.604,1001 0.277,1002 0.607,1003 0.776,1004 0.884,1005 0.896,1006 0.896,1007 5.273,1008 1.911,1009 6.133,1010 5.603,1011 4.745,1012 5.342,1013 1.863,1014 6.971,1015 4.657,1016 6.501,1017 1.644,1018 7.719,1019 5.315,1020 4.443,1021 5.293,1022 1.195,1023 8.143,1024 4.283,1025 7.836,1026 1.406,1027 9.42,1028 4.487,1029 6.402,1030 7.61,1031 2.424,1032 11.202,1033 6.208,1034 9.215,1035 1.262,1036 11.197,1037 3.616,1038 6.938,1039 8.391,1040 2.324,1041 13.281,1042 6.65,1043 10.63,1044 1.123,1045 13.028,1046 3.345,1047 8.396,1048 10.219,1049 3.244,1050 15.971,1051 8.069,1052 12.075,1053 1.079,1054 14.901,1055 2.589,1056 9.311,1057 11.386,1058 3.407,1059 18.394,1060 8.879,1061 13.542,1062 1,1063 16.805,1064 2.503,1065 10.595,1066 13.028,1067 4.156,1068 21.009,1069 10.107,1070 3.51,1071 1,1072 18.737,1073 2.401,1074 11.684,1075 14.386,1076 4.464,1077 23.553,1078 11.089,1079 2.99,1080 13.604,1081 20.689,1082 2.275,1083 12.915,1084 15.957,1085 5.111,1086 26.157,1087 12.248,1088 2.791,1089 9.553,1090 22.659,1091 4.762,1092 14.083,1093 17.41,1094 5.504,1095 28.742,1096 13.31,1097 2.609,1098 8.755,1099 24.642,1100 4.043,1101 15.307,1102 18.958,1103 6.091,1104 31.348,1105 14.447,1106 2.511,1107 7.759,1108 26.637,1109 3.767,1110 16.512,1111 20.459,1112 6.531,1113 33.948,1114 15.549,1115 2.238,1116 7.315,1117 28.64,1118 3.488,1119 17.74,1120 22.003,1121 7.083,1122 36.556,1123 16.684,1124 2.051,1125 6.612,1126 30.651,1127 3.327,1128 18.965,1129 23.529,1130 7.551,1131 39.162,1132 17.806,1133 23157,1134 39856,1135 26.929,1136 45.426,1137 60.428,1138 62.383,1139 63.112,1140 60.287,1141 60.291,1142 81.356,1143 5.406,1144 174.294,1145 57.795,1146 5.762,1147 6.726,1148 7.284,1149 5.506,1150 5.51,1151 7.762,1152 2.912,1153 21.555,1154 5.21,1155 21.605,1156 1.474,1157 1.522,1158 1.539,1159 1.47,1160 1.471,1161 1.984,1162 0.132,1163 4.251,1164 1.41,1165 4.103,1166 4.103,1167 4.741,1168 4.076,1169 7.715,1170 4,1171 4.009,1172 4.025,1173 3.987,1174 3.94,1175 7.431,1176 3.932,1177 3.863,1178 3.903,1179 3.831,1180 3.754,1181 6.999,1182 3.76,1183 3.731,1184 3.774,1185 3.717,1186 3.613,1187 5.047,1188 3.584,1189 3.638,1190 3.695,1191 3.582,1192 3.475,1193 4.875,1194 3.491,1195 3.519,1196 3.587,1197 3.431,1198 3.257,1199 4.692,1200 3.277,1201 3.394,1202 3.407,1203 3.331,1204 3.237,1205 4.638,1206 3.201,1207 3.306,1208 3.403,1209 3.04,1210 3.123,1211 4.216,1212 3.089,1213 0.12,1214 0.115,1215 0.187,1216 0.108,1217 0.086,1218 4.932,1219 0.116,1220 4.726,1221 0.04,1222 7.666,1223 0.332,1224 4.432,1225 0.078,1226 3.51,1227 4.762,1228 1.656,1229 13.604,1230 3.21,1231 1.984,1232 1.978,1233 2.059,1234 2.084,1235 1.243,1236 2.094,1237 1.963,1238 1.948,1239 1.993,1240 2.046,1241 1.157,1242 2.064,1243 1.82,1244 1.788,1245 1.911,1246 1.955,1247 1.056,1248 1.949,1249 1.669,1250 1.626,1251 1.886,1252 1.859,1253 0.981,1254 1.872,1255 1.576,1256 1.524,1257 1.725,1258 1.782,1259 0.869,1260 1.764,1261 1.418,1262 1.342,1263 1.709,1264 1.703,1265 0.693,1266 1.7,1267 1.351,1268 1.278,1269 1.678,1270 1.584,1271 0.666,1272 1.638,1273 1.275,1274 1.256,1275 1.265,1276 1.443,1277 0.522,1278 1.496,1279 4.419,1281 5.74,1283 7.263,1285 8.872,1287 10.522,1289 5.182,1295 0.791,1296 8.356,1300 1.413,1305 43.276,1306 112.758,1307 246.653,1308 315.355,1309 359.408,1310 364.163,1311 364.163,1312 84.438,1313 8.402,1314 129.21,1315 137.59,1316 24,1317 12.78,1318 4.807,1319 4,1320 67.895,1321 210,1322 234,1323 0.155,1324 272.814,1325 470.18,1326 657.425,1327 63313,1329 27.123,1330 0.714,1331 0.583,1332 27.373,1333 22.158,1334 18.332,1335 0.447,1336 0.33,1337 12.047,1338 16.847,1339 11.591,1340 9.71,1341 19.121,1342 13.536,1343 16.309,1344 0.286,1345 0.178,1346 17.628,1347 10.157,1348 13.776,1349 0.186,1350 0.106,1351 15.163,1352 7.856,1353 11.055,1354 0.121,1355 0.059,1356 12.22,1357 5.326,1358 8.441,1359 0.076,1360 0.029,1361 9.144,1362 3.169,1363 0.251,1364 122.702,1365 0.193,1366 34.97,1367 0.405,1368 196,1369 603.646,1370 256.147,1371 608.808,1372 832.68,1373 564,1374 229,1375 591.332,1376 295.494,1377 636.22,1378 926.44,1379 598,1380 7.108}
{0 CHEMBL2158390,1 1.602,2 9.286,3 1.463,4 2.139,5 79.776,6 7.343,7 0.261,8 3.777,9 3.906,10 3.334,11 3.241,12 4.845,13 3.242,14 4.322,15 4.505,16 3.644,17 3.603,18 5.398,19 3.575,20 4.545,21 4.774,22 3.604,23 3.703,24 5.506,25 3.632,26 4.495,27 4.75,28 3.497,29 3.615,30 5.488,31 3.512,32 4.436,33 4.696,34 3.465,35 3.53,36 5.395,37 3.453,38 4.357,39 4.58,40 3.407,41 3.421,42 5.465,43 3.388,44 4.271,45 4.509,46 3.281,47 3.34,48 5.415,49 3.272,50 4.134,51 4.393,52 2.999,53 3.253,54 5.061,55 3.135,56 0.042,57 0.601,58 8.307,59 3.159,60 4.947,61 4.427,62 0.33,63 0.925,64 16.178,65 5.289,66 23.757,67 7.402,68 0.37,69 1.06,70 21.462,71 6.235,72 30.011,73 9.446,74 0.393,75 0.994,76 20.576,77 6.234,78 35.431,79 9.727,80 0.28,81 0.907,82 19.701,83 5.688,84 29.179,85 8.914,86 0.359,87 0.829,88 18.202,89 4.381,90 40.08,91 6.63,92 0.474,93 0.731,94 16.999,95 4.543,96 46.604,97 6.847,98 0.215,99 0.618,100 14.781,101 4.951,102 25.778,103 7.124,104 2,105 30,106 0.288,107 0.645,108 0.765,109 0.8,110 0.813,111 0.813,112 3.103,113 0.917,114 -3.64,115 -3.61,116 -3.44,119 38.5,125 5,135 1,139 1,142 5,143 1,158 1,159 1,172 6,174 1,175 3,178 3,179 1,180 2,183 6,186 1,192 2,195 3,198 2,199 1,202 3,204 4,211 1,212 3,217 3,224 4,229 2,232 1,236 1,237 5,240 2,242 1,245 2,250 4,258 2,263 3,271 1,275 575,276 14.499,277 14.499,278 14.499,279 14.499,280 14.499,281 13.203,282 19.274,283 8.981,284 14.918,285 11.421,286 11.421,287 11.421,288 11.421,289 11.421,290 9.404,291 24.897,292 4.354,293 12.075,294 3.684,295 1.701,296 1.035,297 0.84,298 0.769,299 0.769,300 3.789,303 1,304 1,305 1,306 421,307 2.121,311 206.385,318 1.442,319 18.106,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 46,331 195,332 4.255,333 3.564,334 6.2,335 3.877,336 2.944,337 3.629,338 1.321,339 9.317,340 2.751,341 3.901,342 3.128,343 5.468,344 3.531,345 2.556,346 3.442,347 0.986,348 7.287,349 2.509,350 3.62,351 2.883,352 5.306,353 3.364,354 2.414,355 2.731,356 0.86,357 6.86,358 2.274,359 3.409,360 2.645,361 4.785,362 2.951,363 1.972,364 2.556,365 0.845,366 5.396,367 1.905,368 2.927,369 2.286,370 4.346,371 2.634,372 1.727,373 2.082,374 0.56,375 4.228,376 1.56,377 2.885,378 1.648,379 3.635,380 2.475,381 1.484,382 1.882,383 0.175,384 3.138,385 1.467,386 2.5,387 1.518,388 3.491,389 2,390 1.077,391 1.5,393 2.613,394 1,395 2.216,396 1.256,397 3.247,398 1.956,399 1,400 1.16,402 2.136,403 0.946,404 2,405 1,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.939,413 1.838,414 0.916,415 3.12,416 1.543,417 0.607,418 0.7,420 1.437,421 0.567,422 1.206,423 0.71,424 2.568,425 0.648,426 -0.363,427 -0.44,428 -0.941,429 -0.357,430 0.813,431 -0.111,432 2.442,433 0.542,434 -0.414,435 -0.507,436 -1.073,437 -0.391,438 0.622,439 -0.212,440 2.081,441 0.366,442 -0.605,443 -0.744,445 -1.393,446 -0.593,447 0.5,448 -0.36,449 1.673,450 0.049,451 -0.9,452 -1,454 -2.164,455 -0.846,456 0.287,457 -0.63,458 1.555,460 -1,461 -1.037,463 -2.347,464 -0.854,465 9.767,466 0.465,467 0.362,468 0.017,469 25,470 1.19,471 10.5,472 0.5,473 14.5,474 0.69,475 14.974,476 0.713,477 23.233,478 0.596,479 17.083,480 0.813,481 5.353,482 0.255,483 4.957,484 0.236,485 0.034,487 0.246,493 0.864,494 1.553,495 0.794,496 1.21,497 0.604,498 1.013,499 1.047,500 1.016,501 0.998,502 1.007,503 0.645,504 0.999,505 1.151,506 1.124,507 1.087,508 0.99,509 1.013,510 1.016,511 0.556,512 1.032,513 0.957,514 1.057,515 0.631,516 1.067,517 0.841,518 1.083,519 0.852,520 0.961,521 0.928,522 0.904,523 1.791,524 1.063,525 1.256,526 0.918,527 2.198,528 0.966,529 1.193,530 0.812,531 1.097,532 0.835,533 1.58,534 0.921,535 1.001,536 0.794,537 0.929,538 0.903,539 1.107,540 0.913,541 3.5,542 0.016,543 1.333,544 0.813,545 0.876,546 0.486,547 0.206,548 0.245,549 0.107,550 0.024,551 4653,552 12181,553 2.131,554 46.2,556 16,559 2,564 1.631,565 2.066,566 3.22,567 0.378,568 1,569 1,571 1,573 62.469,574 1.602,575 3.584,576 4.25,577 4.446,578 4.516,579 4.516,580 2.701,581 3.916,582 4.365,583 3.341,584 701.618,585 7.471,586 7561.09,587 1,588 1,590 1,591 206.131,592 1.049,593 4.355,594 0.152,595 0.002,596 0.044,597 0.029,598 0.036,599 0.02,600 0.009,601 0.013,602 0.007,603 0.002,604 0.316,605 0.5,606 1,607 0.418,608 95.53,609 -0.07,610 -0.296,611 0.058,612 -0.119,613 -0.035,614 -0.022,615 0.032,616 0.124,617 -0.059,618 -0.018,619 0.059,620 -0.061,621 -0.146,622 -0.096,623 -0.119,624 -0.033,625 -0.123,626 -0.067,627 0.209,628 -0.018,629 -0.001,630 -0.108,631 0.129,632 -0.099,633 0.031,634 -0.117,635 0.128,636 -0.014,637 0.003,638 0.067,639 -0.379,640 -0.042,641 -0.229,642 -0.034,643 -0.34,644 -0.086,645 0.083,646 0.162,647 -0.076,648 0.079,649 0.038,650 -0.003,651 -0.078,652 0.087,653 0.052,654 0.109,655 -0.004,656 0.107,657 1.818,658 4.772,659 0.857,660 16.363,661 1.006,662 1.136,663 2.414,664 5.83,665 0.648,666 3.178,667 3.434,668 3.638,669 3.871,670 4.078,671 3.989,672 4.078,673 4.111,674 4.174,675 4.111,676 5.547,677 0.621,678 286.37,679 3.178,680 4.673,681 5.485,682 6.326,683 7.154,684 8.001,685 8.836,686 9.687,687 10.526,688 11.378,689 10.3,691 1,692 1,696 1,698 1,704 5,709 1,711 6,731 39,733 9,734 1,735 23,737 41,738 15,739 6,740 1,741 5,742 4,746 3,747 3,750 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 6,783 2,784 6,790 4,794 1,795 2,812 3,826 1,831 1,835 1,836 1,839 1,840 3,848 21,854 5,855 2,856 1,859 1,870 5.1,873 1,874 1,877 10.167,878 6.733,879 4.694,880 2.274,881 1.686,882 1.255,883 0.981,884 4.529,885 8.298,886 3.401,887 3.861,888 4.287,889 4.742,890 5.153,891 5.079,892 5.21,893 5.417,894 5.739,895 5.906,896 1,897 28,898 7.757,900 3.222,901 7.722,902 14.885,904 11.905,905 2.222,906 46.667,907 0.001,910 188.338,911 84.477,912 55.931,914 36.145,917 84.477,918 224.482,919 55.931,921 33.513,922 74.868,923 40.849,924 25.423,925 1.899,926 188.338,928 188.338,929 140.408,930 36.145,933 188.338,934 25.145,935 11,937 71.433,938 59.498,939 9.476,941 188.338,942 92.076,943 84.477,946 188.338,947 27.619,948 59.982,949 36.022,950 52.93,951 188.338,952 92.076,953 84.477,955 0.562,956 0.314,957 0.174,958 0.098,959 14,960 5,961 0.098,962 4,964 1,965 3.48,966 154.154,968 18,969 84.239,974 14.108,975 6.741,976 3.834,978 92.076,979 9.991,984 1.136,986 36.022,987 364.89,988 29,993 11.772,995 1.527,996 4.476,997 1.035,999 39.247,1000 44.318,1001 0.303,1002 0.678,1003 0.804,1004 0.841,1005 0.854,1006 0.854,1007 4.61,1008 1,1009 5.416,1010 2.613,1011 4.111,1012 4.543,1013 2.235,1014 6.125,1015 4.008,1016 5.75,1017 1,1018 6.899,1019 2.136,1020 3.434,1021 4.034,1022 0.81,1023 6.763,1024 3.299,1025 7.008,1026 0.607,1027 8.478,1028 2.136,1029 5.595,1030 6.515,1031 2.244,1032 9.851,1033 5.388,1034 8.294,1035 -0.363,1036 10.117,1037 1.437,1038 5.74,1039 6.783,1040 1.296,1041 11.348,1042 5.487,1043 9.613,1044 -0.414,1045 11.795,1046 -0.941,1047 7.334,1048 8.744,1049 2.43,1050 13.906,1051 7.018,1052 10.952,1053 -0.605,1054 13.501,1055 -1.073,1056 7.902,1057 9.403,1058 1.822,1059 15.787,1060 7.528,1061 12.308,1062 -0.9,1063 15.227,1064 -1.393,1065 9.22,1066 11.102,1067 2.731,1068 18.141,1069 8.787,1070 2.944,1071 -1,1072 16.969,1073 -2.164,1074 10.019,1075 11.984,1076 2.383,1077 20.204,1078 9.518,1079 2.556,1080 9.317,1081 18.723,1082 -2.347,1083 11.199,1084 13.534,1085 3.117,1086 22.478,1087 10.64,1088 2.414,1089 7.287,1090 20.487,1091 3.629,1092 12.124,1093 14.552,1094 2.959,1095 24.629,1096 11.491,1097 1.972,1098 6.86,1099 22.258,1100 3.442,1101 13.239,1102 16.009,1103 3.561,1104 26.872,1105 12.546,1106 1.727,1107 5.396,1108 24.037,1109 2.731,1110 14.231,1111 17.113,1112 3.538,1113 29.064,1114 13.463,1115 1.484,1116 4.228,1117 25.822,1118 2.556,1119 15.317,1120 18.511,1121 4.046,1122 31.298,1123 14.485,1124 1.077,1125 3.138,1126 27.611,1127 2.082,1128 16.346,1129 19.671,1130 4.115,1131 33.509,1132 15.438,1133 4463,1134 7323,1135 15.89,1136 25.262,1137 33.883,1138 34.595,1139 33.515,1140 33.52,1141 33.561,1142 41.364,1143 9.494,1144 89.094,1145 31.836,1146 5.255,1147 5.564,1148 6.002,1149 4.98,1150 4.944,1151 6.629,1152 2.44,1153 15.563,1154 4.751,1155 5.49,1156 1.473,1157 1.504,1158 1.457,1159 1.457,1160 1.459,1161 1.798,1162 0.413,1163 3.874,1164 1.384,1165 3.947,1166 3.993,1167 3.884,1168 3.856,1169 7.43,1170 3.851,1171 3.86,1172 3.902,1173 3.793,1174 3.681,1175 4.825,1176 3.709,1177 3.652,1178 3.706,1179 3.549,1180 3.416,1181 4.722,1182 3.44,1183 3.3,1184 3.37,1185 3.184,1186 3.107,1187 4.588,1188 3.112,1189 3.111,1190 3.206,1191 2.878,1192 2.941,1193 4.065,1194 2.91,1195 2.945,1196 3.003,1197 2.866,1198 2.735,1199 3.762,1200 2.715,1201 2.873,1202 2.925,1203 2.777,1204 2.695,1205 3.674,1206 2.71,1207 2.854,1208 2.919,1209 2.687,1210 2.589,1211 3.485,1212 2.657,1213 0.185,1214 0.155,1215 0.27,1216 0.169,1217 0.128,1218 4.255,1219 0.158,1220 3.564,1221 0.057,1222 6.2,1223 0.405,1224 3.877,1225 0.12,1226 2.944,1227 3.629,1228 1.321,1229 9.317,1230 2.751,1231 1.912,1232 1.881,1233 2.041,1234 2.039,1235 1.207,1236 2.03,1237 1.783,1238 1.734,1239 1.942,1240 1.981,1241 1.151,1242 1.981,1243 1.564,1244 1.512,1245 1.718,1246 1.822,1247 0.825,1248 1.798,1249 1.261,1250 1.193,1251 1.513,1252 1.497,1253 0.755,1254 1.501,1255 1.153,1256 1.064,1257 1.504,1258 1.376,1259 0.636,1260 1.429,1261 0.886,1262 0.821,1263 1.181,1264 1.162,1265 0.224,1266 1.136,1267 0.839,1268 0.77,1269 1.095,1270 1.062,1271 0.218,1272 1.107,1273 0.752,1274 0.708,1275 1.012,1276 1.037,1277 0.081,1278 1.024,1279 3.85,1281 5.118,1283 6.586,1285 8.141,1287 9.738,1295 3.474,1296 5.878,1297 5.316,1300 2.062,1305 24.203,1306 62.469,1307 139.792,1308 165.766,1309 173.376,1310 176.131,1311 176.131,1312 27.153,1313 6.612,1314 70.25,1315 70.25,1316 18,1317 11.937,1318 3.322,1319 2.807,1320 32.203,1321 69,1322 66,1323 0.226,1324 150.081,1325 265.82,1326 357.957,1327 6084,1329 14.493,1330 0.69,1331 0.558,1332 14.493,1333 11.711,1334 10.31,1335 0.448,1336 0.306,1337 6.896,1338 9.805,1339 6.797,1340 5.592,1341 10.31,1342 7.03,1343 8.918,1344 0.297,1345 0.163,1346 8.918,1347 4.891,1348 7.101,1349 0.192,1350 0.091,1351 7.101,1352 3.366,1353 5.976,1354 0.127,1355 0.048,1356 5.976,1357 2.265,1358 4.842,1359 0.083,1360 0.026,1361 4.842,1362 1.505,1363 0.354,1364 65.281,1365 0.251,1366 21.023,1367 0.621,1368 106,1369 327.427,1370 119.558,1371 309.73,1372 419.51,1373 292,1374 120,1375 300.85,1376 133.089,1377 301.407,1378 438.36,1379 284,1380 4.914}
{0 CHEMBL2158424,1 1.602,2 9.286,3 1.268,4 1.608,5 79.776,6 7.343,7 0.261,8 3.777,9 3.906,10 3.334,11 3.241,12 4.844,13 3.242,14 4.322,15 4.505,16 3.645,17 3.605,18 5.407,19 3.575,20 4.536,21 4.76,22 3.602,23 3.711,24 5.505,25 3.64,26 4.499,27 4.754,28 3.49,29 3.635,30 5.469,31 3.525,32 4.463,33 4.731,34 3.457,35 3.551,36 5.384,37 3.463,38 4.37,39 4.595,40 3.402,41 3.431,42 5.479,43 3.396,44 4.231,45 4.455,46 3.286,47 3.322,48 5.414,49 3.26,50 4.108,51 4.365,52 3.014,53 3.214,54 5.051,55 3.108,56 0.042,57 0.601,58 8.307,59 3.159,60 5.021,61 4.427,62 0.355,63 0.923,64 16.206,65 5.233,66 25.979,67 7.413,68 0.371,69 1.058,70 21.134,71 6.214,72 29.29,73 9.332,74 0.353,75 0.996,76 20.587,77 6.654,78 32.263,79 10.109,80 0.286,81 0.914,82 20.455,83 6.084,84 28.7,85 9.467,86 0.382,87 0.827,88 18.59,89 4.525,90 42.208,91 6.748,92 0.444,93 0.716,94 16.054,95 4.389,96 46.467,97 6.545,98 0.197,99 0.619,100 14.267,101 4.53,102 24.266,103 6.701,104 2,105 30,106 0.288,107 0.636,108 0.756,109 0.8,110 0.813,111 0.813,112 3.103,113 0.916,114 -3.24,115 -3.23,116 -3.1,119 38.5,125 5,135 1,139 1,142 5,143 1,158 1,159 1,172 6,175 3,178 4,179 1,180 2,183 6,186 1,187 2,195 3,198 3,199 3,202 2,204 1,207 1,212 2,215 1,217 2,220 2,224 2,229 3,232 2,236 2,237 4,240 1,242 3,245 1,250 4,255 2,263 3,268 1,275 575,276 14.499,277 14.499,278 14.499,279 14.499,280 14.499,281 13.126,282 19.234,283 8.981,284 14.924,285 11.421,286 11.421,287 11.421,288 11.421,289 11.421,290 9.372,291 25.5,292 4.354,293 12.073,294 3.684,295 1.752,296 1.086,297 0.84,298 0.769,299 0.769,300 3.789,304 1,305 1,306 421,307 2.121,311 206.385,318 1.442,319 17.356,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 46,331 195,332 4.224,333 3.61,334 6.2,335 3.877,336 2.944,337 3.573,338 1.663,339 9.317,340 2.746,341 3.908,342 3.093,343 5.468,344 3.531,345 2.556,346 3.429,347 0.944,348 7.287,349 2.508,350 3.656,351 2.893,352 5.306,353 3.363,354 2.414,355 2.801,356 0.868,357 6.86,358 2.266,359 3.413,360 2.585,361 4.785,362 2.946,363 1.972,364 2.573,365 0.86,366 5.396,367 1.907,368 2.948,369 2.305,370 4.346,371 2.637,372 1.727,373 2.072,374 0.381,375 4.228,376 1.565,377 2.881,378 1.631,379 3.635,380 2.475,381 1.484,382 1.907,383 0.191,384 3.138,385 1.467,386 2.5,387 1.555,388 3.491,389 2,390 1.077,391 1.5,393 2.613,394 1,395 2.23,396 1.256,397 3.247,398 1.958,399 1,400 1.17,402 2.136,403 0.946,404 2,405 1,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.942,413 1.755,414 0.933,415 3.12,416 1.544,417 0.607,418 0.676,420 1.437,421 0.567,422 1.131,423 0.648,424 2.568,425 0.653,426 -0.363,427 -0.45,428 -0.941,429 -0.358,430 0.96,431 0.02,432 2.442,433 0.539,434 -0.414,435 -0.487,436 -1.073,437 -0.393,438 0.514,439 -0.284,440 2.081,441 0.36,442 -0.605,443 -0.72,445 -1.393,446 -0.587,447 0.5,448 -0.36,449 1.673,450 0.059,451 -0.9,452 -1,454 -2.164,455 -0.846,456 0.435,457 -0.66,458 1.555,460 -1,461 -1.043,463 -2.347,464 -0.861,465 9.767,466 0.465,467 0.362,468 0.017,469 25,470 1.19,471 10.5,472 0.5,473 14.5,474 0.69,475 14.972,476 0.713,477 23.233,478 0.596,479 17.085,480 0.814,481 5.391,482 0.257,483 4.918,484 0.234,485 0.034,487 0.246,493 0.864,494 1.553,495 0.794,496 1.21,497 0.605,498 1.013,499 1.009,500 1.042,501 0.997,502 0.996,503 0.64,504 0.998,505 1.176,506 1.102,507 1.124,508 0.996,509 1.014,510 1.036,511 0.515,512 0.994,513 0.932,514 1.087,515 0.583,516 1.081,517 0.768,518 1.003,519 0.794,520 0.914,521 0.886,522 0.858,523 1.849,524 0.98,525 1.258,526 0.864,527 2.245,528 0.93,529 1.2,530 0.946,531 1.128,532 0.945,533 1.661,534 1.006,535 0.993,536 0.937,537 0.949,538 0.966,539 1.106,540 0.954,541 3.5,542 0.016,543 1.333,544 0.813,545 0.876,546 0.486,547 0.206,548 0.245,549 0.107,550 0.024,551 4653,552 12231,553 2.131,554 46.2,556 16,559 2,564 1.631,565 2.066,566 3.22,567 0.378,568 1,569 1,571 1,573 62.469,574 1.602,575 3.533,576 4.199,577 4.446,578 4.516,579 4.516,580 2.701,581 3.916,582 4.365,583 3.341,584 701.618,585 7.471,586 7561.09,587 1,588 1,591 206.131,592 1.049,593 4.355,594 0.152,595 0.002,596 0.044,597 0.029,598 0.036,599 0.02,600 0.009,601 0.013,602 0.007,603 0.002,604 0.316,605 0.67,606 1,607 0.418,608 95.53,609 -0.07,610 -0.296,611 0.058,612 -0.119,613 -0.037,614 -0.022,615 0.071,616 0.097,617 -0.058,618 -0.007,619 0.07,620 -0.059,621 -0.167,622 -0.061,623 -0.162,624 -0.034,625 -0.127,626 -0.088,627 0.206,628 0.007,629 0.015,630 -0.115,631 0.148,632 -0.094,633 0.063,634 -0.066,635 0.188,636 0.044,637 0.018,638 0.129,639 -0.396,640 0.024,641 -0.224,642 0.023,643 -0.372,644 -0.048,645 0.098,646 0.048,647 -0.117,648 -0.019,649 0.025,650 -0.088,651 -0.08,652 -0.024,653 0.031,654 0.022,655 0.003,656 0.045,657 1.911,658 4.736,659 0.857,660 16.363,661 1.006,662 1.136,663 2.008,664 4.034,665 0.648,666 3.178,667 3.434,668 3.638,669 3.871,670 4.078,671 3.989,672 4.078,673 4.111,674 4.174,675 4.111,676 5.547,677 0.621,678 286.37,679 3.178,680 4.673,681 5.485,682 6.326,683 7.154,684 8.001,685 8.836,686 9.687,687 10.526,688 11.378,689 10.3,692 1,696 2,698 1,704 5,709 1,711 6,731 39,733 9,734 1,735 23,737 41,738 15,739 6,740 1,741 5,742 3,746 3,747 3,751 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 6,783 2,784 6,790 4,791 1,794 1,795 2,812 3,831 1,836 1,839 1,840 3,848 21,854 5,855 2,856 1,859 1,870 5.1,873 1,874 1,877 10.167,878 6.733,879 4.694,880 2.261,881 1.955,882 1.296,883 0.981,884 4.529,885 8.567,886 3.401,887 3.861,888 4.259,889 4.733,890 5.138,891 5.164,892 5.422,893 5.715,894 6.05,895 6.272,896 1,897 28,898 7.754,900 3.218,901 7.722,902 14.885,904 11.903,905 2.222,906 46.667,907 0.001,910 188.338,911 84.477,912 55.931,914 36.145,917 84.477,918 224.482,919 55.931,921 51.523,922 56.857,923 38.473,924 25.423,925 4.276,926 188.338,928 188.338,929 140.408,930 36.145,933 188.338,934 25.145,935 11,937 71.433,938 59.498,939 9.476,941 188.338,942 92.076,943 84.477,946 188.338,947 27.619,948 59.982,949 36.022,950 52.93,951 188.338,952 92.076,953 84.477,955 0.562,956 0.314,957 0.174,958 0.098,959 14,960 5,961 0.073,962 3,964 1,965 3.48,966 154.154,968 18,969 84.239,974 14.108,975 6.741,976 3.834,978 92.076,979 9.954,984 1.11,986 36.022,987 364.89,988 29,993 11.736,995 1.871,996 4.459,997 1.128,999 39.247,1000 44.318,1001 0.303,1002 0.668,1003 0.794,1004 0.841,1005 0.854,1006 0.854,1007 4.61,1008 1,1009 5.416,1010 2.613,1011 4.111,1012 4.543,1013 2.355,1014 6.125,1015 4.007,1016 5.75,1017 1,1018 6.899,1019 2.136,1020 3.434,1021 4.034,1022 1.305,1023 6.763,1024 3.293,1025 7.008,1026 0.607,1027 8.478,1028 2.136,1029 5.595,1030 6.503,1031 2.702,1032 9.851,1033 5.384,1034 8.293,1035 -0.363,1036 10.117,1037 1.437,1038 5.74,1039 6.76,1040 2.363,1041 11.348,1042 5.477,1043 9.609,1044 -0.414,1045 11.795,1046 -0.941,1047 7.334,1048 8.711,1049 3.376,1050 13.906,1051 7.011,1052 10.945,1053 -0.605,1054 13.501,1055 -1.073,1056 7.902,1057 9.35,1058 3.434,1059 15.787,1060 7.515,1061 12.296,1062 -0.9,1063 15.227,1064 -1.393,1065 9.22,1066 11.045,1067 4.229,1068 18.141,1069 8.776,1070 2.944,1071 -1,1072 16.969,1073 -2.164,1074 10.019,1075 11.9,1076 4.496,1077 20.204,1078 9.502,1079 2.556,1080 9.317,1081 18.723,1082 -2.347,1083 11.199,1084 13.449,1085 5.169,1086 22.478,1087 10.625,1088 2.414,1089 7.287,1090 20.487,1091 3.573,1092 12.124,1093 14.437,1094 5.545,1095 24.629,1096 11.473,1097 1.972,1098 6.86,1099 22.258,1100 3.429,1101 13.239,1102 15.894,1103 6.148,1104 26.872,1105 12.528,1106 1.727,1107 5.396,1108 24.037,1109 2.801,1110 14.231,1111 16.969,1112 6.582,1113 29.064,1114 13.441,1115 1.484,1116 4.228,1117 25.822,1118 2.573,1119 15.317,1120 18.366,1121 7.145,1122 31.298,1123 14.463,1124 1.077,1125 3.138,1126 27.611,1127 2.072,1128 16.346,1129 19.498,1130 7.611,1131 33.509,1132 15.413,1133 4463,1134 7337,1135 15.89,1136 25.262,1137 33.809,1138 34.503,1139 33.515,1140 33.524,1141 33.561,1142 41.404,1143 9.814,1144 89.094,1145 31.826,1146 5.224,1147 5.61,1148 6.002,1149 4.981,1150 4.944,1151 6.573,1152 2.935,1153 15.563,1154 4.746,1155 5.49,1156 1.47,1157 1.5,1158 1.457,1159 1.458,1160 1.459,1161 1.8,1162 0.427,1163 3.874,1164 1.384,1165 3.949,1166 3.995,1167 3.885,1168 3.86,1169 7.431,1170 3.855,1171 3.852,1172 3.897,1173 3.78,1174 3.673,1175 4.82,1176 3.698,1177 3.651,1178 3.706,1179 3.551,1180 3.42,1181 4.682,1182 3.443,1183 3.26,1184 3.327,1185 3.168,1186 3.055,1187 4.585,1188 3.065,1189 3.111,1190 3.206,1191 2.981,1192 2.941,1193 4.166,1194 2.91,1195 3.056,1196 3.091,1197 2.866,1198 2.787,1199 3.725,1200 2.837,1201 2.854,1202 2.925,1203 2.723,1204 2.735,1205 3.674,1206 2.715,1207 2.833,1208 2.903,1209 2.687,1210 2.596,1211 3.547,1212 2.625,1213 0.184,1214 0.157,1215 0.27,1216 0.169,1217 0.128,1218 4.224,1219 0.155,1220 3.61,1221 0.072,1222 6.2,1223 0.405,1224 3.877,1225 0.119,1226 2.944,1227 3.573,1228 1.663,1229 9.317,1230 2.746,1231 1.914,1232 1.883,1233 2.041,1234 2.04,1235 1.211,1236 2.031,1237 1.78,1238 1.728,1239 1.943,1240 1.977,1241 1.142,1242 1.98,1243 1.567,1244 1.513,1245 1.727,1246 1.822,1247 0.825,1248 1.798,1249 1.205,1250 1.14,1251 1.513,1252 1.449,1253 0.787,1254 1.447,1255 1.153,1256 1.064,1257 1.447,1258 1.376,1259 0.597,1260 1.429,1261 0.921,1262 0.889,1263 1.181,1264 1.231,1265 0.223,1266 1.196,1267 0.886,1268 0.821,1269 1.116,1270 1.062,1271 0.218,1272 1.107,1273 0.756,1274 0.685,1275 1.01,1276 1.036,1278 1.033,1279 3.85,1281 5.118,1283 6.586,1285 8.141,1287 9.738,1295 3.452,1296 5.536,1297 5.322,1300 2.097,1305 24.203,1306 62.469,1307 137.792,1308 163.766,1309 173.376,1310 176.131,1311 176.131,1312 26.541,1313 6.612,1314 73.48,1315 73.48,1316 18,1317 11.937,1318 3.322,1319 2.807,1320 32.203,1321 69,1322 66,1323 0.226,1324 150.081,1325 265.82,1326 357.957,1327 6084,1329 14.493,1330 0.69,1331 0.558,1332 14.493,1333 11.711,1334 10.31,1335 0.448,1336 0.305,1337 6.886,1338 9.803,1339 6.781,1340 5.58,1341 10.31,1342 7.019,1343 8.918,1344 0.297,1345 0.163,1346 8.918,1347 4.895,1348 7.101,1349 0.192,1350 0.091,1351 7.101,1352 3.383,1353 5.976,1354 0.127,1355 0.049,1356 5.976,1357 2.285,1358 4.842,1359 0.083,1360 0.026,1361 4.842,1362 1.518,1363 0.354,1364 65.281,1365 0.251,1366 21.023,1367 0.621,1368 106,1369 327.427,1370 119.613,1371 309.656,1372 418.65,1373 292,1374 120,1375 298.709,1376 132.922,1377 299.768,1378 435.64,1379 282,1380 4.079}
{0 CHEMBL2158430,1 1.549,2 9.286,3 2.146,4 4.605,5 86.305,6 7.135,7 0.522,8 3.798,9 3.938,10 3.331,11 3.257,12 4.862,13 3.251,14 4.329,15 4.523,16 3.635,17 3.614,18 5.374,19 3.579,20 4.537,21 4.775,22 3.59,23 3.723,24 5.435,25 3.641,26 4.505,27 4.763,28 3.481,29 3.667,30 5.397,31 3.547,32 4.488,33 4.762,34 3.458,35 3.595,36 5.386,37 3.498,38 4.406,39 4.664,40 3.391,41 3.51,42 5.375,43 3.435,44 4.362,45 4.639,46 3.275,47 3.428,48 5.332,49 3.319,50 4.233,51 4.521,52 3.014,53 3.294,54 5.055,55 3.159,56 0.03,57 0.628,58 8.924,59 3.109,60 7.404,61 4.608,62 0.283,63 0.947,64 16.701,65 5.295,66 25.244,67 7.675,68 0.301,69 1.076,70 21.316,71 6.114,72 24.198,73 9.686,74 0.263,75 1.031,76 20.554,77 6.704,78 24.916,79 10.31,80 0.261,81 0.977,82 20.763,83 5.66,84 27.181,85 9.412,86 0.259,87 0.918,88 19.027,89 4.509,90 28.59,91 7.725,92 0.354,93 0.821,94 18.581,95 4.946,96 34.708,97 8.199,98 0.2,99 0.686,100 16.461,101 4.912,102 22.673,103 7.7,104 2,105 30,106 0.277,107 0.608,108 0.737,109 0.797,110 0.81,111 0.81,112 3.103,113 0.921,114 -4.05,115 -4,116 -3.79,119 37.5,125 5,142 6,143 1,147 2,150 1,163 1,164 1,165 1,172 6,174 2,175 3,177 2,178 3,180 2,183 6,186 1,192 2,195 3,198 1,199 1,201 1,202 3,203 1,204 3,206 1,207 1,209 1,211 1,212 3,217 1,220 2,224 4,229 1,232 2,234 1,236 1,237 5,239 1,240 2,242 2,245 1,247 2,250 4,255 2,260 2,263 3,268 1,273 1,275 575,276 14.499,277 14.499,278 14.499,279 14.499,280 14.499,281 13.024,282 23.329,283 8.981,284 14.986,285 11.421,286 11.421,287 11.421,288 11.421,289 11.421,290 9.225,291 40.71,292 4.354,293 12.194,294 3.773,295 1.925,296 1.207,297 0.869,298 0.8,299 0.8,300 3.789,303 1,304 1,305 1,306 421,307 2.121,311 206.385,318 1.442,319 14.708,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 195,332 4.253,333 3.166,334 6.2,335 3.869,336 2.944,337 3.866,338 0.86,339 9.317,340 2.723,341 3.899,342 2.817,343 5.468,344 3.531,345 2.556,346 3.444,347 0.8,348 7.287,349 2.507,350 3.645,351 2.61,352 5.306,353 3.344,354 2.414,355 2.856,356 0.657,357 6.86,358 2.228,359 3.298,360 2.245,361 4.785,362 2.892,363 1.972,364 2.549,366 5.396,367 1.811,368 2.919,369 2.123,370 4.346,371 2.627,372 1.727,373 2.082,375 4.228,376 1.552,377 2.878,378 1.592,379 3.635,380 2.475,381 1.484,382 1.933,384 3.138,385 1.467,386 2.5,387 1.404,388 3.491,389 2,390 1.077,391 1.5,393 2.613,394 1,395 2.205,396 1.256,397 3.247,398 1.956,399 1,400 1.183,402 2.136,403 0.946,404 2,405 1,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.94,413 1.823,414 0.806,415 3.12,416 1.544,417 0.607,418 0.716,420 1.437,421 0.567,422 0.979,423 -0.18,424 2.568,425 0.585,426 -0.363,427 -0.463,428 -0.941,429 -0.341,430 0.905,431 -0.243,432 2.442,433 0.516,434 -0.414,435 -0.508,436 -1.073,437 -0.385,438 0.658,439 -0.36,440 2.081,441 0.333,442 -0.605,443 -0.67,445 -1.393,446 -0.568,447 0.5,448 -0.377,449 1.673,450 0.053,451 -0.9,452 -1,454 -2.164,455 -0.846,456 0.295,457 -0.772,458 1.555,460 -1,461 -1.132,463 -2.347,464 -0.858,465 9.833,466 0.468,467 0.362,468 0.017,469 28,470 1.333,471 13.5,472 0.643,473 14.5,474 0.69,475 14.036,476 0.668,477 23.167,478 0.579,479 18.022,480 0.858,481 5.687,482 0.271,483 4.622,484 0.22,485 0.041,487 0.244,493 1.035,494 1.528,495 0.844,496 1.186,497 1.094,498 1.007,499 1.231,500 0.999,501 1.002,502 0.992,503 0.775,504 0.981,505 1.204,506 1.105,507 1.087,508 0.982,509 1.035,510 1.012,511 0.565,512 1.03,513 0.994,514 1.154,515 0.747,516 1.14,517 0.891,518 1.051,519 0.932,520 0.925,521 1.005,522 0.918,523 1.42,524 1.065,525 1.183,526 0.927,527 1.703,528 0.982,529 0.858,530 0.906,531 0.994,532 0.894,533 1.061,534 0.941,535 1.052,536 0.876,537 0.931,538 0.869,539 0.992,540 0.886,541 3.5,542 0.016,543 1.333,544 0.813,545 0.876,546 0.486,547 0.206,548 0.245,549 0.107,550 0.024,551 4653,552 11529,553 2.131,554 47.5,556 16,559 3,564 1.631,565 2.066,566 3.22,567 1.109,568 1,569 1,571 1,573 61.954,574 1.549,575 3.397,576 4.115,577 4.453,578 4.522,579 4.522,580 2.701,581 3.916,582 4.365,583 3.341,584 701.618,585 7.471,586 7561.09,587 1,588 1,590 1,591 212.877,592 1.049,593 4.355,594 0.152,595 0.002,596 0.044,597 0.029,598 0.036,599 0.02,600 0.009,601 0.013,602 0.007,603 0.002,604 0.316,605 0.5,606 1,607 0.418,608 95.53,609 -0.092,610 -0.258,611 0.054,612 -0.09,613 -0.133,614 -0.005,615 0.027,616 0.135,617 -0.033,618 0.007,619 0.164,620 -0.03,621 -0.144,622 -0.068,623 -0.116,624 -0.011,625 -0.159,626 -0.054,627 0.165,628 -0.014,629 -0.051,630 -0.166,631 0.063,632 -0.151,633 -0.005,634 -0.072,635 0.047,636 0.013,637 -0.021,638 0.04,639 -0.296,640 -0.02,641 -0.185,642 -0.037,643 -0.341,644 -0.076,645 0.158,646 0.055,647 0.003,648 0.024,649 0.157,650 0.002,651 -0.091,652 -0.002,653 0.061,654 0.1,655 0.004,656 0.102,657 1.38,658 1.855,659 0.857,660 16.363,661 1.001,662 1.14,663 2.82,664 7.955,665 0.645,666 3.178,667 3.434,668 3.638,669 3.871,670 4.078,671 3.989,672 4.078,673 4.111,674 4.174,675 4.111,676 5.547,677 0.613,678 285.39,679 3.178,680 4.673,681 5.485,682 6.326,683 7.154,684 8.001,685 8.836,686 9.687,687 10.526,688 11.378,689 12.5,693 1,694 1,695 1,699 2,704 6,705 2,709 4,711 12,722 1,724 1,726 1,731 40,733 12,734 1,735 23,737 42,738 15,739 10,740 1,741 5,746 3,747 3,761 10,762 5,777 1,778 1,781 19,782 6,783 3,784 6,790 5,794 1,795 1,806 1,812 3,839 1,840 3,848 21,849 1,854 5,855 1,856 1,859 1,870 2.5,874 1,877 10.167,878 6.85,879 4.694,880 2.29,881 2.152,882 1.325,883 0.988,884 4.529,885 8.764,886 3.401,887 3.912,888 4.388,889 4.894,890 5.367,891 5.33,892 5.535,893 5.763,894 6.1,895 6.328,896 1,897 28,898 7.725,900 3.167,901 7.603,902 14.952,904 11.914,905 2.103,906 44.167,907 0.001,910 188.338,911 82.1,912 87.603,914 11,917 82.1,918 199.338,919 87.603,921 15.502,922 89.755,923 62.582,924 6.31,925 6.555,926 188.338,928 188.338,929 169.703,930 11,933 188.338,935 11,937 17.401,938 100.72,939 51.582,941 188.338,942 98.603,943 82.1,946 188.338,947 25.242,948 59.982,949 18.011,950 77.468,951 188.338,952 98.603,953 82.1,955 0.562,956 0.314,957 0.174,958 0.098,959 14,960 5,961 0.095,962 4,964 1,965 3.48,966 154.154,968 18,969 84.239,974 14.108,975 6.741,976 3.834,978 98.603,979 12.114,980 8.551,984 3.075,986 50.908,987 369.041,988 29,999 40.022,1000 45.607,1001 0.291,1002 0.638,1003 0.773,1004 0.837,1005 0.85,1006 0.85,1007 4.595,1008 1,1009 5.416,1010 2.613,1011 4.111,1012 4.595,1013 1.459,1014 6.125,1015 3.987,1016 5.738,1017 1,1018 6.899,1019 2.136,1020 3.434,1021 4.111,1022 0.325,1023 6.763,1024 3.237,1025 6.993,1026 0.607,1027 8.478,1028 2.136,1029 5.595,1030 6.646,1031 1.074,1032 9.851,1033 5.348,1034 8.278,1035 -0.363,1036 10.117,1037 1.437,1038 5.74,1039 6.955,1040 0.268,1041 11.348,1042 5.412,1043 9.596,1044 -0.414,1045 11.795,1046 -0.941,1047 7.334,1048 8.965,1049 0.807,1050 13.906,1051 6.963,1052 10.936,1053 -0.605,1054 13.501,1055 -1.073,1056 7.902,1057 9.679,1058 0.188,1059 15.787,1060 7.445,1061 12.292,1062 -0.9,1063 15.227,1064 -1.393,1065 9.22,1066 11.422,1067 0.608,1068 18.141,1069 8.717,1070 2.944,1071 -1,1072 16.969,1073 -2.164,1074 10.019,1075 12.372,1076 0.125,1077 20.204,1078 9.426,1079 2.556,1080 9.317,1081 18.723,1082 -2.347,1083 11.199,1084 13.961,1085 0.458,1086 22.478,1087 10.555,1088 2.414,1089 7.287,1090 20.487,1091 3.866,1092 12.124,1093 15.055,1094 0.082,1095 24.629,1096 11.389,1097 1.972,1098 6.86,1099 22.258,1100 3.444,1101 13.239,1102 16.55,1103 0.343,1104 26.872,1105 12.444,1106 1.727,1107 5.396,1108 24.037,1109 2.856,1110 14.231,1111 17.736,1112 0.054,1113 29.064,1114 13.346,1115 1.484,1116 4.228,1117 25.822,1118 2.549,1119 15.317,1120 19.173,1121 0.256,1122 31.298,1123 14.365,1124 1.077,1125 3.138,1126 27.611,1127 2.082,1128 16.346,1129 20.417,1130 0.035,1131 33.509,1132 15.305,1133 4463,1134 7123,1135 15.89,1136 25.813,1137 33.622,1138 33.861,1139 33.515,1140 33.596,1141 33.561,1142 42.255,1143 4.635,1144 89.094,1145 31.481,1146 5.253,1147 5.166,1148 6.002,1149 4.972,1150 4.944,1151 6.866,1152 1.72,1153 15.563,1154 4.723,1155 5.49,1156 1.462,1157 1.472,1158 1.457,1159 1.461,1160 1.459,1161 1.837,1162 0.202,1163 3.874,1164 1.369,1165 3.961,1166 4.012,1167 3.905,1168 3.86,1169 5.226,1170 3.857,1171 3.866,1172 3.909,1173 3.8,1174 3.707,1175 4.765,1176 3.733,1177 3.664,1178 3.723,1179 3.557,1180 3.441,1181 4.664,1182 3.46,1183 3.274,1184 3.365,1185 3.144,1186 3.068,1187 4.558,1188 3.071,1189 3.111,1190 3.206,1191 2.9,1192 2.941,1193 4.138,1194 2.91,1195 3.03,1196 3.127,1197 2.866,1198 2.756,1199 3.814,1200 2.782,1201 2.854,1202 2.925,1203 2.724,1204 2.735,1205 3.674,1206 2.715,1207 2.834,1208 2.907,1209 2.687,1210 2.572,1211 3.587,1212 2.605,1213 0.185,1214 0.138,1215 0.27,1216 0.168,1217 0.128,1218 4.253,1219 0.168,1220 3.166,1221 0.037,1222 6.2,1223 0.405,1224 3.869,1225 0.118,1226 2.944,1227 3.866,1228 0.86,1229 9.317,1230 2.723,1231 1.916,1232 1.884,1233 2.044,1234 2.053,1235 1.208,1236 2.039,1237 1.804,1238 1.752,1239 1.947,1240 1.982,1241 1.152,1242 1.986,1243 1.59,1244 1.533,1245 1.754,1246 1.835,1247 0.825,1248 1.818,1249 1.232,1250 1.155,1251 1.513,1252 1.496,1253 0.801,1254 1.497,1255 1.153,1256 1.064,1257 1.484,1258 1.376,1259 0.609,1260 1.429,1261 0.949,1262 0.854,1263 1.24,1264 1.282,1265 0.222,1266 1.281,1267 0.886,1268 0.821,1269 1.181,1270 1.065,1271 0.218,1272 1.107,1273 0.747,1274 0.673,1275 1.057,1276 1.062,1277 0.016,1278 1.063,1279 3.85,1281 5.118,1283 6.586,1285 8.141,1287 9.738,1293 5.815,1295 3.802,1296 3.292,1297 5.355,1300 2.162,1305 24.509,1306 61.954,1307 135.883,1308 164.612,1309 178.122,1310 180.877,1311 180.877,1312 23.133,1313 6.612,1314 76.3,1315 76.3,1316 18,1317 11.937,1318 3.7,1319 2.807,1320 32.203,1321 69,1322 66,1323 0.226,1324 152.879,1325 257.13,1326 364.784,1327 6084,1329 14.493,1330 0.69,1331 0.563,1332 14.493,1333 11.827,1334 10.31,1335 0.448,1336 0.307,1337 6.934,1338 9.833,1339 6.822,1340 5.626,1341 10.31,1342 7.062,1343 8.918,1344 0.297,1345 0.164,1346 8.918,1347 4.908,1348 7.101,1349 0.192,1350 0.091,1351 7.101,1352 3.381,1353 5.976,1354 0.127,1355 0.049,1356 5.976,1357 2.286,1358 4.842,1359 0.083,1360 0.026,1361 4.842,1362 1.518,1363 0.354,1364 64.992,1365 0.251,1366 21.023,1367 0.621,1368 106,1369 300.316,1370 118.426,1371 289.512,1372 399.66,1373 274,1374 120,1375 294.622,1376 132.094,1377 297.12,1378 431.64,1379 280,1380 4.079}
{0 CHEMBL2158431,1 1.565,2 9.318,3 2.352,4 5.532,5 84.557,6 7.574,7 0.5,8 3.771,9 3.896,10 3.359,11 3.277,12 4.896,13 3.274,14 4.303,15 4.486,16 3.651,17 3.619,18 5.358,19 3.593,20 4.515,21 4.745,22 3.644,23 3.737,24 5.515,25 3.663,26 4.483,27 4.734,28 3.524,29 3.681,30 5.414,31 3.577,32 4.452,33 4.713,34 3.543,35 3.625,36 5.457,37 3.541,38 4.344,39 4.575,40 3.474,41 3.553,42 5.421,43 3.495,44 4.263,45 4.495,46 3.378,47 3.453,48 5.447,49 3.388,50 4.146,51 4.401,52 3.164,53 3.312,54 5.267,55 3.22,56 0.021,57 0.613,58 7.658,59 3.146,60 8.184,61 4.239,62 0.244,63 0.947,64 15.171,65 5.075,66 20.267,67 6.926,68 0.333,69 1.099,70 20.122,71 6.498,72 33.89,73 9.408,74 0.23,75 1.059,76 19.566,77 6.669,78 23.992,79 9.916,80 0.274,81 1.005,82 19.529,83 6.245,84 31.582,85 9.444,86 0.228,87 0.941,88 16.728,89 4.747,90 30.8,91 7.105,92 0.293,93 0.852,94 15.515,95 4.385,96 42.201,97 6.625,98 0.22,99 0.712,100 14.425,101 4.504,102 38.073,103 6.71,104 3,105 31,106 0.279,107 0.611,108 0.73,109 0.792,110 0.804,111 0.804,112 3.146,113 0.906,114 -3.81,115 -3.77,116 -3.59,119 41,125 5,142 6,143 1,147 2,149 1,158 1,172 6,174 2,175 3,178 1,180 2,183 6,186 3,192 2,195 3,198 1,199 1,202 2,204 2,207 1,211 2,212 4,215 1,217 1,220 2,224 4,232 2,236 1,237 6,240 1,245 1,249 1,250 6,263 5,275 664,276 15.37,277 15.37,278 15.37,279 15.37,280 15.37,281 13.855,282 23.491,283 9.488,284 15.827,285 11.848,286 11.848,287 11.848,288 11.848,289 11.848,290 9.464,291 38.503,292 4.509,293 12.596,294 3.72,295 1.852,296 1.186,297 0.84,298 0.769,299 0.769,300 3.834,303 1,304 1,305 1,306 440,307 2.345,311 218.501,318 1.409,319 16.869,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 205,332 4.292,333 4.059,334 6.209,335 3.882,336 2.955,337 3.913,338 2.035,339 9.362,340 2.74,341 3.9,342 3.154,343 5.52,344 3.532,345 2.558,346 3.444,347 0.86,348 7.419,349 2.508,350 3.763,351 2.814,352 5.332,353 3.38,354 2.442,355 2.929,356 0.8,357 6.936,358 2.268,359 3.527,360 2.595,361 4.973,362 3,363 2.057,364 2.72,365 0.657,366 5.878,367 1.936,368 2.987,369 2.245,370 4.373,371 2.646,372 1.742,373 2.087,375 4.286,376 1.572,377 2.896,378 2.138,379 3.636,380 2.476,381 1.486,382 1.949,384 3.14,385 1.467,386 2.801,387 1.595,388 3.492,389 2,390 1.087,391 1.5,393 2.622,394 1,395 2.5,396 1.411,397 3.247,398 1.965,399 1,400 1.203,402 2.136,403 0.948,404 2.202,405 1.256,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.946,413 2,414 1,415 3.12,416 1.549,417 0.615,418 0.893,420 1.442,421 0.573,422 1.822,423 0.807,424 2.816,425 1.349,426 0.427,427 0.704,428 0.637,429 0.393,430 0.944,431 -0.05,432 2.552,433 0.555,434 -0.397,435 -0.497,436 -1.032,437 -0.375,438 0.859,439 -0.189,440 2.334,441 0.423,442 -0.515,443 -0.596,445 -1.272,446 -0.484,447 0.643,448 -0.354,449 1.725,450 0.172,451 -0.774,452 -1,454 -1.778,455 -0.73,456 0.5,457 -0.36,458 1.661,459 0.024,460 -0.924,461 -1.118,463 -2.22,464 -0.846,465 10.333,466 0.47,467 0.324,468 0.015,469 31,470 1.409,471 16,472 0.727,473 15,474 0.682,475 14.232,476 0.647,477 23.267,478 0.597,479 20.091,480 0.913,481 6.179,482 0.281,483 4.669,484 0.212,485 0.039,487 0.232,493 0.907,494 1.487,495 0.761,496 1.179,497 0.542,498 0.983,499 1.33,500 1.074,501 1.001,502 0.976,503 0.608,504 0.956,505 1.053,506 0.999,507 1.021,508 0.955,509 0.597,510 0.984,511 0.623,512 1.043,513 0.958,514 1.088,515 0.621,516 1.072,517 0.663,518 0.95,519 0.809,520 0.898,521 0.671,522 0.873,523 1.346,524 1.075,525 1.154,526 0.955,527 1.488,528 0.994,529 1.155,530 1.01,531 1.168,532 0.976,533 2.093,534 1.038,535 0.979,536 0.894,537 0.973,538 0.893,539 1.538,540 0.92,541 3.5,542 0.029,543 1.333,544 0.813,545 0.916,546 0.549,547 0.206,548 0.26,549 0.127,550 0.034,551 5142,552 13892,553 2.125,554 43.6,556 16,559 1,564 1.646,565 2.063,566 3.226,567 -0.265,568 1,569 1,571 1,573 61.034,574 1.565,575 3.433,576 4.099,577 4.446,578 4.516,579 4.516,580 2.681,581 3.698,582 4.43,583 3.347,584 773.24,585 7.618,586 8646.72,587 1,588 1,590 1,591 206.131,592 1.023,593 4.423,594 0.146,595 0.003,596 0.043,597 0.027,598 0.035,599 0.02,600 0.008,601 0.012,602 0.007,603 0.002,604 0.304,605 0.5,606 1,607 0.608,608 101.559,609 -0.045,610 -0.308,611 0.063,612 -0.14,613 0.062,614 -0.039,615 -0.091,616 0.012,617 -0.067,618 -0.013,619 0.014,620 -0.041,621 -0.019,622 0.003,623 -0.054,624 0.011,625 0.091,626 -0.028,627 0.096,628 -0.063,629 -0.003,630 -0.108,631 0.029,632 -0.08,633 0.166,634 0.009,635 0.177,636 0.068,637 0.144,638 0.115,639 -0.283,640 -0.018,641 -0.188,642 -0.039,643 -0.302,644 -0.08,645 -0.053,646 0.045,647 -0.196,648 -0.066,649 -0.291,650 -0.129,651 -0.006,652 0.054,653 0.021,654 0.073,655 0.026,656 0.06,657 1.487,658 3.124,659 0.818,660 17.851,661 1.004,662 1.133,663 2.584,664 6.677,665 0.668,666 3.219,667 3.466,668 3.689,669 3.912,670 4.143,671 4.078,672 4.19,673 4.22,674 4.277,675 4.234,676 5.622,677 0.641,678 295.38,679 3.219,680 4.71,681 5.525,682 6.365,683 7.198,684 8.045,685 8.886,686 9.737,687 10.582,688 11.435,689 12.8,694 1,695 1,698 1,699 2,704 6,705 2,709 4,711 12,713 1,724 1,726 1,731 39,733 13,734 1,735 24,737 41,738 16,739 10,740 1,741 5,746 3,747 3,760 1,761 10,762 5,777 1,778 1,781 17,782 6,783 1,784 6,790 5,794 1,795 1,806 1,812 3,839 1,840 3,848 22,854 5,855 1,856 1,859 1,861 1,866 1,868 1,870 2.6,874 1,877 10.667,878 6.967,879 5.028,880 2.319,881 2.258,882 1.338,883 0.973,884 4.721,885 8.949,886 3.497,887 3.97,888 4.494,889 4.99,890 5.513,891 5.549,892 5.857,893 5.985,894 6.283,895 6.544,896 1,897 30,898 8.078,900 3.312,901 7.712,902 15.493,904 12.275,905 2.212,906 48.667,910 188.338,911 99.13,912 85.765,914 11,917 99.13,918 199.338,919 85.765,921 15.502,922 56.857,923 79.183,924 39.697,925 4.656,926 188.338,928 188.338,929 184.896,930 11,933 190.666,935 11,937 46.561,938 84.425,939 51.582,941 188.338,942 96.765,943 99.13,946 188.338,947 25.671,948 59.982,949 34.612,950 75.63,951 188.338,952 96.765,953 99.13,955 0.556,956 0.32,957 0.175,958 0.101,959 14,960 5,961 0.098,962 4,964 1,965 3.552,966 164.807,968 18,969 90.107,974 14.618,975 7.104,976 3.879,978 96.765,979 11.95,980 8.509,984 2.773,986 18.011,987 384.233,988 32,999 39.138,1000 44.192,1001 0.296,1002 0.65,1003 0.776,1004 0.841,1005 0.854,1006 0.854,1007 4.7,1008 1,1009 5.451,1010 2.622,1011 4.143,1012 4.654,1013 2.532,1014 6.163,1015 4.026,1016 5.857,1017 1,1018 6.936,1019 2.136,1020 3.434,1021 4.111,1022 0.325,1023 6.823,1024 3.256,1025 7.116,1026 0.615,1027 8.519,1028 2.136,1029 5.631,1030 6.714,1031 3.617,1032 9.904,1033 5.397,1034 8.407,1035 0.427,1036 10.161,1037 1.442,1038 5.771,1039 7.018,1040 0.268,1041 11.416,1042 5.464,1043 9.728,1044 -0.397,1045 11.843,1046 0.637,1047 7.373,1048 9.041,1049 4.971,1050 13.965,1051 7.017,1052 11.071,1053 -0.515,1054 13.552,1055 -1.032,1056 7.943,1057 9.768,1058 0.188,1059 15.853,1060 7.506,1061 12.431,1062 -0.774,1063 15.28,1064 -1.272,1065 9.262,1066 11.509,1067 6.379,1068 18.203,1069 8.776,1070 2.955,1071 -0.924,1072 17.023,1073 -1.778,1074 10.063,1075 12.479,1076 0.125,1077 20.27,1078 9.492,1079 2.558,1080 9.362,1081 18.778,1082 -2.22,1083 11.244,1084 14.062,1085 7.797,1086 22.543,1087 10.619,1088 2.442,1089 7.419,1090 20.541,1091 3.913,1092 12.172,1093 15.18,1094 0.082,1095 24.697,1096 11.46,1097 2.057,1098 6.936,1099 22.313,1100 3.444,1101 13.288,1102 16.671,1103 9.217,1104 26.942,1105 12.515,1106 1.742,1107 5.878,1108 24.091,1109 2.929,1110 14.284,1111 17.88,1112 0.054,1113 29.137,1114 13.424,1115 1.486,1116 4.286,1117 25.875,1118 2.72,1119 15.371,1120 19.317,1121 10.638,1122 31.373,1123 14.445,1124 1.087,1125 3.14,1126 27.664,1127 2.087,1128 16.403,1129 20.583,1130 0.035,1131 33.588,1132 15.391,1133 4961,1134 8270,1135 16.583,1136 26.051,1137 36.05,1138 37.76,1139 35.098,1140 34.744,1141 34.739,1142 44.683,1143 8.704,1144 91.983,1145 32.7,1146 5.292,1147 6.059,1148 6.011,1149 4.986,1150 4.955,1151 6.913,1152 4.069,1153 15.621,1154 4.74,1155 5.886,1156 1.502,1157 1.573,1158 1.462,1159 1.448,1160 1.447,1161 1.862,1162 0.363,1163 3.833,1164 1.363,1165 3.964,1166 4.013,1167 3.915,1168 3.862,1169 6.822,1170 3.86,1171 3.869,1172 3.91,1173 3.805,1174 3.723,1175 4.943,1176 3.748,1177 3.672,1178 3.727,1179 3.57,1180 3.455,1181 4.747,1182 3.474,1183 3.307,1184 3.383,1185 3.231,1186 3.114,1187 4.605,1188 3.132,1189 3.13,1190 3.206,1191 3.046,1192 2.967,1193 4.154,1194 2.978,1195 3.111,1196 3.185,1197 2.866,1198 2.941,1199 3.882,1200 2.91,1201 2.854,1202 2.925,1203 2.737,1204 2.735,1205 3.674,1206 2.715,1207 2.841,1208 2.911,1209 2.687,1210 2.572,1211 3.644,1212 2.606,1213 0.179,1214 0.169,1215 0.259,1216 0.162,1217 0.123,1218 4.292,1219 0.163,1220 4.059,1221 0.085,1222 6.209,1223 0.39,1224 3.882,1225 0.114,1226 2.955,1227 3.913,1228 2.035,1229 9.362,1230 2.74,1231 1.916,1232 1.884,1233 2.044,1234 2.051,1235 1.209,1236 2.039,1237 1.812,1238 1.763,1239 1.947,1240 1.981,1241 1.152,1242 1.985,1243 1.6,1244 1.545,1245 1.754,1246 1.831,1247 0.825,1248 1.814,1249 1.254,1250 1.185,1251 1.513,1252 1.49,1253 0.804,1254 1.49,1255 1.153,1256 1.064,1257 1.481,1258 1.376,1259 0.611,1260 1.429,1261 1.069,1262 1.022,1263 1.181,1264 1.267,1265 0.222,1266 1.241,1267 0.886,1268 0.821,1269 1.162,1270 1.063,1271 0.218,1272 1.107,1273 0.747,1274 0.674,1275 1.053,1276 1.062,1277 0.015,1278 1.06,1279 3.892,1281 5.153,1283 6.621,1285 8.177,1287 9.776,1295 3.572,1296 3.255,1297 5.348,1300 2.111,1303 9.124,1304 2.025,1305 24.983,1306 61.034,1307 133.892,1308 159.866,1309 173.376,1310 176.131,1311 176.131,1312 26.798,1313 6.691,1314 74.07,1315 74.07,1316 18,1317 11.993,1318 3.807,1319 3.17,1320 34.394,1321 73,1322 72,1323 0.228,1324 156.616,1325 269.15,1326 373.904,1327 6591,1329 15.2,1330 0.691,1331 0.554,1332 15.2,1333 12.197,1334 10.848,1335 0.452,1336 0.302,1337 7.121,1338 10.368,1339 7.003,1340 5.776,1341 10.848,1342 7.247,1343 9.087,1344 0.293,1345 0.161,1346 9.087,1347 4.985,1348 7.541,1349 0.193,1350 0.089,1351 7.541,1352 3.464,1353 6.123,1354 0.125,1355 0.047,1356 6.123,1357 2.318,1358 5.145,1359 0.083,1360 0.025,1361 5.145,1362 1.557,1363 0.355,1364 68.285,1365 0.246,1366 21.828,1367 0.632,1368 110,1369 334.649,1370 121.982,1371 324.956,1372 442.34,1373 306,1374 125,1375 319.186,1376 137.316,1377 323.423,1378 467.7,1379 304,1380 4.383}
{0 CHEMBL2158432,1 1.523,2 9.318,3 1.579,4 2.494,5 87.292,6 6.963,7 0.5,8 3.86,9 4.003,10 3.372,11 3.322,12 4.898,13 3.309,14 4.402,15 4.602,16 3.665,17 3.679,18 5.391,19 3.636,20 4.617,21 4.864,22 3.659,23 3.79,24 5.531,25 3.703,26 4.571,27 4.827,28 3.546,29 3.742,30 5.438,31 3.628,32 4.562,33 4.827,34 3.569,35 3.708,36 5.458,37 3.607,38 4.527,39 4.777,40 3.507,41 3.676,42 5.431,43 3.588,44 4.57,45 4.847,46 3.416,47 3.65,48 5.454,49 3.523,50 4.531,51 4.834,52 3.214,53 3.541,54 5.343,55 3.382,56 0.035,57 0.667,58 9.839,59 3.432,60 7.322,61 5.141,62 0.256,63 1.009,64 18.326,65 5.573,66 21.873,67 8.413,68 0.363,69 1.157,70 23.444,71 6.777,72 31.667,73 10.738,74 0.25,75 1.11,76 22.07,77 6.831,78 24.035,79 10.826,80 0.293,81 1.076,82 22.185,83 6.524,84 28.183,85 10.52,86 0.256,87 1.053,88 21.349,89 5.593,90 24.468,91 9.337,92 0.332,93 1.014,94 22.709,95 6.436,96 32.179,97 10.52,98 0.304,99 0.887,100 22.342,101 6.689,102 33.35,103 10.587,104 3,105 31,106 0.268,107 0.593,108 0.734,109 0.806,110 0.817,111 0.817,112 3.146,113 0.942,114 -3.63,115 -3.6,116 -3.43,119 37.2,125 6,142 6,143 1,147 2,149 1,163 1,164 1,165 1,172 6,174 2,175 3,178 1,180 2,183 6,186 1,189 2,190 2,192 2,195 3,198 1,199 1,202 2,204 2,207 1,211 1,212 3,214 1,215 1,216 1,217 2,219 1,220 2,222 1,224 4,232 2,236 1,237 5,240 1,242 1,245 1,247 1,250 4,252 1,253 1,255 2,260 2,263 3,268 2,273 2,275 664,276 15.37,277 15.37,278 15.37,279 15.37,280 15.37,281 13.947,282 25.386,283 9.488,284 15.827,285 11.848,286 11.848,287 11.848,288 11.848,289 11.848,290 9.648,291 44.268,292 4.509,293 12.596,294 3.903,295 2.065,296 1.262,297 0.855,298 0.791,299 0.791,300 3.834,303 1,304 1,305 1,306 440,307 2.345,311 218.501,318 1.409,319 15.786,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 47.5,331 205,332 4.265,333 3.18,334 6.209,335 3.882,336 2.955,337 3.879,338 0.86,339 9.362,340 2.74,341 3.899,342 2.829,343 5.52,344 3.532,345 2.558,346 3.444,347 0.8,348 7.419,349 2.508,350 3.662,351 2.69,352 5.332,353 3.38,354 2.442,355 2.869,356 0.657,357 6.936,358 2.268,359 3.36,360 2.308,361 4.973,362 3,363 2.057,364 2.612,365 0.522,366 5.878,367 1.936,368 2.924,369 2.244,370 4.373,371 2.646,372 1.742,373 2.083,375 4.286,376 1.572,377 2.882,378 1.604,379 3.636,380 2.476,381 1.486,382 1.939,384 3.14,385 1.467,386 2.5,387 1.43,388 3.492,389 2,390 1.087,391 1.5,393 2.622,394 1,395 2.207,396 1.256,397 3.247,398 1.965,399 1,400 1.187,402 2.136,403 0.948,404 2,405 1,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.946,413 1.824,414 0.829,415 3.12,416 1.549,417 0.615,418 0.72,420 1.442,421 0.573,422 1.583,423 0.693,424 2.816,425 1.349,426 0.427,427 0.48,428 0.637,429 0.393,430 0.932,431 -0.186,432 2.552,433 0.555,434 -0.397,435 -0.497,436 -1.032,437 -0.375,438 0.759,439 -0.332,440 2.334,441 0.423,442 -0.515,443 -0.589,445 -1.272,446 -0.484,447 0.599,448 -0.36,449 1.725,450 0.172,451 -0.774,452 -0.968,454 -1.778,455 -0.73,456 0.5,457 -0.564,458 1.661,459 0.024,460 -0.924,461 -1,463 -2.22,464 -0.846,465 10.333,466 0.47,467 0.324,468 0.015,469 28,470 1.273,471 13,472 0.591,473 15,474 0.682,475 15.899,476 0.723,477 24.467,478 0.569,479 18.424,480 0.837,481 5.727,482 0.26,483 5.121,484 0.233,485 0.039,487 0.232,493 1.028,494 1.529,495 0.868,496 1.204,497 1.096,498 1.034,499 1.355,500 1.119,501 1.038,502 1.012,503 1.061,504 0.993,505 1.135,506 1.001,507 1.039,508 0.929,509 0.922,510 0.965,511 0.749,512 1.1,513 1.039,514 1.119,515 0.907,516 1.111,517 0.778,518 1.023,519 0.925,520 0.972,521 0.739,522 0.96,523 1.334,524 1.104,525 1.197,526 1.013,527 1.306,528 1.056,529 0.892,530 0.975,531 1.033,532 0.985,533 1.224,534 1.011,535 0.923,536 0.809,537 0.885,538 0.839,539 0.969,540 0.859,541 3.5,542 0.029,543 1.333,544 0.813,545 0.916,546 0.549,547 0.206,548 0.26,549 0.127,550 0.034,551 5142,552 12408,553 2.125,554 48.8,556 18,559 3,564 1.646,565 2.063,566 3.226,567 1.069,568 1,569 1,571 1,573 65.481,574 1.523,575 3.361,576 4.164,577 4.571,578 4.636,579 4.636,580 2.681,581 3.698,582 4.43,583 3.347,584 773.24,585 7.618,586 8646.72,588 1,590 1,591 233.329,592 1.023,593 4.423,594 0.146,595 0.003,596 0.043,597 0.027,598 0.035,599 0.02,600 0.008,601 0.012,602 0.007,603 0.002,604 0.304,605 0.5,606 1,607 0.608,608 101.559,609 -0.076,610 -0.244,611 0.055,612 -0.086,613 -0.123,614 -0.006,615 -0.079,616 0.02,617 -0.052,618 -0.007,619 -0.053,620 -0.03,621 -0.042,622 0.04,623 -0.053,624 0.036,625 -0.003,626 -0.008,627 0.032,628 -0.055,629 -0.087,630 -0.137,631 -0.082,632 -0.132,633 0.098,634 -0.008,635 0.046,636 -0.011,637 0.128,638 0.008,639 -0.265,640 -0.033,641 -0.21,642 -0.081,643 -0.233,644 -0.122,645 0.048,646 -0.004,647 -0.051,648 -0.043,649 -0.028,650 -0.053,651 0.033,652 0.041,653 0.106,654 0.114,655 0.113,656 0.119,657 1.168,658 1.888,659 0.818,660 17.851,661 0.998,662 1.14,663 2.396,664 5.74,665 0.641,666 3.219,667 3.466,668 3.689,669 3.912,670 4.143,671 4.078,672 4.19,673 4.22,674 4.277,675 4.234,676 5.622,677 0.605,678 299.42,679 3.219,680 4.71,681 5.525,682 6.365,683 7.198,684 8.045,685 8.886,686 9.737,687 10.582,688 11.435,689 11.6,690 1,694 1,695 1,699 2,704 6,705 2,709 4,711 12,724 1,726 1,731 43,733 12,734 1,735 24,737 45,738 16,739 10,740 1,741 5,746 3,747 3,752 1,761 10,762 6,777 1,778 1,781 21,782 6,783 3,784 6,790 5,794 1,795 1,806 1,812 3,833 1,839 1,840 3,848 22,849 1,854 6,855 1,856 1,859 1,870 2.3,874 1,877 10.667,878 7.35,879 5.028,880 2.499,881 2.139,882 1.32,883 0.982,884 5.087,885 8.83,886 3.434,887 3.932,888 4.425,889 4.927,890 5.418,891 5.409,892 5.654,893 5.843,894 6.165,895 6.405,896 1,897 30,898 8.109,900 3.31,901 7.576,902 15.769,904 12.568,905 2.076,906 45.667,907 0.001,910 211.88,911 84.634,912 87.603,914 11,917 84.634,918 222.88,919 87.603,921 50.505,922 56.857,923 62.582,924 8.638,925 4.656,926 211.88,928 211.88,929 172.238,930 11,933 214.208,935 11,937 50.505,938 67.823,939 51.582,941 211.88,942 98.603,943 84.634,946 211.88,947 27.777,948 59.982,949 18.011,950 77.468,951 211.88,952 98.603,953 84.634,955 0.556,956 0.32,957 0.175,958 0.101,959 14,960 5,961 0.111,962 5,964 1,965 3.552,966 164.807,968 18,969 90.107,974 15.067,975 7.428,976 4.096,978 98.603,979 12.218,980 8.981,984 3.581,986 50.908,987 395.117,988 30,999 42.905,1000 49.023,1001 0.281,1002 0.619,1003 0.767,1004 0.842,1005 0.854,1006 0.854,1007 4.625,1008 1,1009 5.451,1010 2.622,1011 4.143,1012 4.615,1013 1.578,1014 6.163,1015 4.026,1016 5.76,1017 1,1018 6.936,1019 2.136,1020 3.434,1021 4.111,1022 0.325,1023 6.823,1024 3.256,1025 7.014,1026 0.615,1027 8.519,1028 2.136,1029 5.631,1030 6.664,1031 1.124,1032 9.904,1033 5.397,1034 8.3,1035 0.427,1036 10.161,1037 1.442,1038 5.771,1039 6.976,1040 0.268,1041 11.416,1042 5.464,1043 9.62,1044 -0.397,1045 11.843,1046 0.637,1047 7.373,1048 8.984,1049 0.825,1050 13.965,1051 7.017,1052 10.961,1053 -0.515,1054 13.552,1055 -1.032,1056 7.943,1057 9.706,1058 0.188,1059 15.853,1060 7.506,1061 12.32,1062 -0.774,1063 15.28,1064 -1.272,1065 9.262,1066 11.445,1067 0.614,1068 18.203,1069 8.776,1070 2.955,1071 -0.924,1072 17.023,1073 -1.778,1074 10.063,1075 12.403,1076 0.125,1077 20.27,1078 9.492,1079 2.558,1080 9.362,1081 18.778,1082 -2.22,1083 11.244,1084 13.988,1085 0.459,1086 22.543,1087 10.619,1088 2.442,1089 7.419,1090 20.541,1091 3.879,1092 12.172,1093 15.09,1094 0.082,1095 24.697,1096 11.46,1097 2.057,1098 6.936,1099 22.313,1100 3.444,1101 13.288,1102 16.583,1103 0.344,1104 26.942,1105 12.515,1106 1.742,1107 5.878,1108 24.091,1109 2.869,1110 14.284,1111 17.776,1112 0.054,1113 29.137,1114 13.424,1115 1.486,1116 4.286,1117 25.875,1118 2.612,1119 15.371,1120 19.212,1121 0.256,1122 31.373,1123 14.445,1124 1.087,1125 3.14,1126 27.664,1127 2.083,1128 16.403,1129 20.463,1130 0.035,1131 33.588,1132 15.391,1133 4961,1134 7796,1135 16.583,1136 27.574,1137 34.714,1138 35.103,1139 35.098,1140 34.744,1141 34.739,1142 43.425,1143 5.678,1144 91.983,1145 32.7,1146 5.265,1147 5.18,1148 6.011,1149 4.986,1150 4.955,1151 6.879,1152 1.72,1153 15.621,1154 4.74,1155 5.886,1156 1.446,1157 1.463,1158 1.462,1159 1.448,1160 1.447,1161 1.809,1162 0.237,1163 3.833,1164 1.363,1165 3.968,1166 4.019,1167 3.912,1168 3.862,1169 5.093,1170 3.86,1171 3.871,1172 3.912,1173 3.803,1174 3.726,1175 4.86,1176 3.749,1177 3.678,1178 3.737,1179 3.566,1180 3.458,1181 4.745,1182 3.475,1183 3.361,1184 3.457,1185 3.214,1186 3.142,1187 4.604,1188 3.147,1189 3.191,1190 3.275,1191 3.044,1192 2.999,1193 4.154,1194 2.995,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.886,1200 2.91,1201 2.854,1202 2.925,1203 2.739,1204 2.735,1205 3.674,1206 2.715,1207 2.846,1208 2.918,1209 2.687,1210 2.572,1211 3.65,1212 2.606,1213 0.178,1214 0.133,1215 0.259,1216 0.162,1217 0.123,1218 4.265,1219 0.162,1220 3.18,1221 0.036,1222 6.209,1223 0.39,1224 3.882,1225 0.114,1226 2.955,1227 3.879,1228 0.86,1229 9.362,1230 2.74,1231 1.917,1232 1.884,1233 2.044,1234 2.058,1235 1.21,1236 2.044,1237 1.819,1238 1.768,1239 1.954,1240 1.983,1241 1.153,1242 1.989,1243 1.611,1244 1.553,1245 1.801,1246 1.853,1247 0.887,1248 1.843,1249 1.319,1250 1.235,1251 1.583,1252 1.595,1253 0.825,1254 1.6,1255 1.164,1256 1.09,1257 1.513,1258 1.411,1259 0.699,1260 1.429,1261 1.153,1262 1.064,1263 1.427,1264 1.376,1265 0.553,1266 1.42,1267 0.886,1268 0.821,1269 1.181,1270 1.081,1271 0.218,1272 1.107,1273 0.748,1274 0.674,1275 1.06,1276 1.062,1277 0.217,1278 1.073,1279 3.892,1281 5.153,1283 6.621,1285 8.177,1287 9.776,1293 5.728,1295 4.213,1296 3.351,1297 5.388,1300 2.206,1305 26.036,1306 65.481,1307 144.535,1308 179.065,1309 196.574,1310 199.329,1311 199.329,1312 26.312,1313 6.691,1314 76.3,1315 76.3,1316 18,1317 11.993,1318 3.7,1319 2.807,1320 34.394,1321 73,1322 72,1323 0.228,1324 162.471,1325 274.43,1326 388.189,1327 6591,1329 15.2,1330 0.691,1331 0.57,1332 15.2,1333 12.534,1334 10.848,1335 0.452,1336 0.314,1337 7.403,1338 10.368,1339 7.28,1340 6.001,1341 10.848,1342 7.535,1343 9.087,1344 0.293,1345 0.167,1346 9.087,1347 5.17,1348 7.541,1349 0.193,1350 0.092,1351 7.541,1352 3.593,1353 6.123,1354 0.125,1355 0.049,1356 6.123,1357 2.408,1358 5.145,1359 0.083,1360 0.026,1361 5.145,1362 1.636,1363 0.355,1364 68.285,1365 0.246,1366 21.828,1367 0.632,1368 110,1369 304.316,1370 121.982,1371 292.483,1372 404.58,1373 278,1374 125,1375 296.2,1376 137.316,1377 298.377,1378 435.14,1379 282,1380 4.079}
{0 CHEMBL2158433,1 1.52,2 9.3,3 2.372,4 5.624,5 81.691,6 7.115,7 0.545,8 3.742,9 3.874,10 3.284,11 3.229,12 4.776,13 3.216,14 4.285,15 4.478,16 3.561,17 3.581,18 5.27,19 3.54,20 4.484,21 4.719,22 3.517,23 3.688,24 5.344,25 3.593,26 4.454,27 4.718,28 3.351,29 3.613,30 5.282,31 3.479,32 4.402,33 4.681,34 3.324,35 3.52,36 5.243,37 3.401,38 4.26,39 4.523,40 3.233,41 3.377,42 5.164,43 3.293,44 4.104,45 4.357,46 3.085,47 3.252,48 5.03,49 3.151,50 4.002,51 4.278,52 2.856,53 3.146,54 4.763,55 3.011,56 0.016,57 0.587,58 8.35,59 3.164,60 5.688,61 4.511,62 0.248,63 0.906,64 15.991,65 5.05,66 19.626,67 7.254,68 0.261,69 1.03,70 20.116,71 6.332,72 20.609,73 9.594,74 0.23,75 0.984,76 19.637,77 6.49,78 21.14,79 9.895,80 0.209,81 0.897,82 19.037,83 5.944,84 22.916,85 9.335,86 0.205,87 0.799,88 16.484,89 4.393,90 21.285,91 7.063,92 0.255,93 0.676,94 14.002,95 4.072,96 21.421,97 6.366,98 0.119,99 0.584,100 12.679,101 4.238,102 12.848,103 6.422,105 28,106 0.275,107 0.586,108 0.73,109 0.794,110 0.807,111 0.807,112 3.057,113 0.933,114 -4.15,115 -4.09,116 -3.87,119 39.5,125 5,142 6,143 1,147 2,148 1,172 6,174 2,175 3,178 1,180 2,183 6,186 1,192 2,195 3,198 1,199 1,202 2,204 2,207 1,211 1,212 3,217 1,220 2,224 4,232 2,236 1,237 5,240 1,245 1,250 4,263 3,275 500,276 14.052,277 14.052,278 14.052,279 14.052,280 14.052,281 12.602,282 20.167,283 8.798,284 14.514,285 10.921,286 10.921,287 10.921,288 10.921,289 10.921,290 8.809,291 33.21,292 4.242,293 11.635,294 3.728,295 2.01,296 1.217,297 0.862,298 0.789,299 0.789,300 3.747,303 1,304 1,305 1,306 404,307 2,311 194.986,318 1.5,319 11.596,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 43,331 186,332 4.172,333 3.14,334 6.168,335 3.821,336 2.894,337 3.729,338 0.86,339 9.175,340 2.683,341 3.898,342 2.808,343 5.407,344 3.531,345 2.551,346 3.442,347 0.8,348 7.137,349 2.507,350 3.594,351 2.52,352 5.237,353 3.272,354 2.335,355 2.818,356 0.657,357 6.66,358 2.174,359 2.984,360 2.245,361 4.392,362 2.687,363 1.782,364 2.115,366 4.373,367 1.611,368 2.894,369 1.66,370 3.643,371 2.48,372 1.497,373 2.011,375 3.152,376 1.468,377 2.661,378 1.503,379 3.538,380 2.184,381 1.29,382 1.719,384 2.821,385 1.15,386 2.5,387 1.256,388 3.429,389 2,390 1,391 1.5,393 2.389,394 1,395 2.194,396 1.138,397 3.247,398 1.952,399 1,400 1.164,402 2.136,403 0.946,404 2,405 1,406 3.247,407 1.899,408 1,409 1,411 2.136,412 0.893,413 1.821,414 0.789,415 3.076,416 1.539,417 0.6,418 0.711,420 1.401,421 0.562,422 0.931,423 -0.186,424 2.41,425 0.553,426 -0.398,427 -0.497,428 -0.951,429 -0.375,430 0.738,431 -0.341,432 2.296,433 0.409,434 -0.531,435 -0.6,436 -1.275,437 -0.5,438 0.558,439 -0.36,440 1.656,441 0.094,442 -0.862,443 -1,445 -1.934,446 -0.822,447 0.5,448 -0.748,449 1.555,451 -1,452 -1.128,454 -2.347,455 -0.846,456 0.211,457 -0.921,458 1.555,459 -0.065,460 -1,461 -1.265,463 -2.347,464 -0.933,465 9.433,466 0.472,467 0.256,468 0.013,469 26.75,470 1.338,471 13,472 0.65,473 13.75,474 0.688,475 12.877,476 0.644,477 21.767,478 0.573,479 16.247,480 0.812,481 5.464,482 0.273,483 4.452,484 0.223,487 0.201,493 0.941,494 1.56,495 0.816,496 1.226,497 0.811,498 1.035,499 1.438,500 1.007,501 1.076,502 0.95,503 1.148,504 0.967,505 1.139,506 1.113,507 1.077,508 1.014,509 1.064,510 1.036,511 0.668,512 0.993,513 1.047,514 1.093,515 0.943,516 1.111,517 0.705,518 1.014,519 0.854,520 0.935,521 0.84,522 0.91,523 1.339,524 0.985,525 1.082,526 0.867,527 1.354,528 0.907,529 1.021,530 0.939,531 1.082,532 0.928,533 1.088,534 0.99,535 0.826,536 0.913,537 0.912,538 0.933,539 0.799,540 0.933,541 2.5,542 0.016,543 1.333,544 0.5,545 0.524,546 0.375,547 0.102,548 0.155,549 0.086,550 0.009,551 4256,552 10266,553 2.169,554 47.4,556 16,558 1,559 1,564 1.614,565 2.143,566 3.239,567 -0.271,569 1,571 1,573 57.759,574 1.52,575 3.238,576 4.03,577 4.386,578 4.458,579 4.458,580 2.709,581 3.722,582 4.295,583 3.347,584 636,585 7.316,586 6657.7,587 1,588 1,590 1,591 199.421,592 0.722,593 4.3,594 0.114,595 0.002,596 0.048,597 0.019,598 0.025,599 0.018,600 0.005,601 0.01,602 0.007,603 0.001,604 0.248,605 0.67,606 1,608 89.845,609 -0.023,610 -0.335,611 0.076,612 -0.148,613 0.042,614 -0.04,615 -0.104,616 0.116,617 -0.1,618 0.018,619 -0.05,620 -0.038,621 -0.095,622 -0.094,623 -0.108,624 -0.042,625 -0.126,626 -0.076,627 0.064,628 0.006,629 -0.095,630 -0.128,631 -0.073,632 -0.135,633 0.097,634 -0.071,635 0.121,636 0.022,637 0.106,638 0.07,639 -0.222,640 0.035,641 -0.08,642 0.032,643 -0.187,644 0.011,645 0.075,646 0.073,647 -0.092,648 0.002,649 0.052,650 -0.055,651 -0.035,652 0.003,653 0.055,654 0.053,655 0.038,656 0.067,657 0.814,658 1.856,659 0.9,660 15.2,661 0.998,662 1.134,663 2.918,664 8.517,665 0.653,666 3.135,667 3.367,668 3.584,669 3.784,670 3.989,671 3.85,672 3.951,673 3.989,674 4.043,675 4.007,676 5.548,677 0.618,678 270.37,679 3.135,680 4.615,681 5.425,682 6.252,683 7.076,684 7.909,685 8.738,686 9.574,687 10.406,688 11.243,689 10.5,694 1,695 1,699 2,704 7,705 2,709 3,711 12,724 1,726 1,731 38,733 12,734 1,735 22,737 40,738 15,739 10,740 1,741 5,746 3,747 3,761 10,762 5,777 1,778 1,781 18,782 5,783 1,784 5,790 4,794 1,795 1,806 1,812 3,839 1,840 3,848 20,854 5,855 1,856 1,859 1,870 2.6,874 1,877 9.333,878 6.6,879 4.528,880 2.24,881 2.166,882 1.332,883 0.982,884 4.335,885 8.694,886 3.367,887 3.85,888 4.331,889 4.806,890 5.284,891 5.161,892 5.425,893 5.664,894 5.994,895 6.223,896 1,897 26,898 7.364,900 2.998,901 7.525,902 14.385,904 11.449,905 2.025,906 40.5,907 0.001,910 200.109,911 88.819,912 54.706,914 11,917 88.819,918 211.109,919 54.706,921 15.502,922 56.857,923 74.353,924 14.928,925 4.656,926 188.338,928 200.109,929 143.525,930 11,933 200.109,935 11,937 24.12,938 67.823,939 51.582,941 200.109,942 65.706,943 88.819,946 200.109,947 23.343,948 68.6,949 18.011,950 44.571,951 200.109,952 65.706,953 88.819,955 0.555,956 0.315,957 0.172,958 0.095,959 13,960 4,961 0.1,962 4,964 1,965 3.449,966 142.097,968 18,969 78.439,974 13.191,975 6.572,976 3.617,978 65.706,979 13.886,980 8.606,984 3.045,986 18.011,987 354.634,988 28,999 37.92,1000 43.109,1001 0.29,1002 0.617,1003 0.768,1004 0.836,1005 0.85,1006 0.85,1007 4.543,1008 1,1009 5.333,1010 2.389,1011 4.043,1012 4.533,1013 1.459,1014 6.019,1015 3.925,1016 5.665,1017 1,1018 6.799,1019 2.136,1020 3.219,1021 3.861,1022 0.325,1023 6.629,1024 3.049,1025 6.901,1026 0.6,1027 8.366,1028 2.136,1029 5.501,1030 6.548,1031 1.074,1032 9.717,1033 5.271,1034 8.171,1035 -0.398,1036 9.998,1037 1.401,1038 5.565,1039 6.72,1040 0.268,1041 11.237,1042 5.271,1043 9.476,1044 -0.531,1045 11.673,1046 -0.951,1047 7.223,1048 8.833,1049 0.807,1050 13.764,1051 6.878,1052 10.805,1053 -0.862,1054 13.379,1055 -1.275,1056 7.739,1057 9.43,1058 0.188,1059 15.662,1060 7.322,1061 12.15,1062 -1,1063 15.107,1064 -1.934,1065 9.089,1066 11.246,1067 0.608,1068 17.988,1069 8.621,1070 2.894,1071 -1,1072 16.851,1073 -2.347,1074 9.849,1075 12.087,1076 0.125,1077 20.055,1078 9.302,1079 2.551,1080 9.175,1081 18.607,1082 -2.347,1083 11.042,1084 13.725,1085 0.458,1086 22.307,1087 10.442,1088 2.335,1089 7.137,1090 20.373,1091 3.729,1092 11.936,1093 14.72,1094 0.082,1095 24.452,1096 11.253,1097 1.782,1098 6.66,1099 22.146,1100 3.442,1101 13.051,1102 16.246,1103 0.343,1104 26.677,1105 12.31,1106 1.497,1107 4.373,1108 23.925,1109 2.818,1110 14.018,1111 17.342,1112 0.054,1113 28.859,1114 13.192,1115 1.29,1116 3.152,1117 25.71,1118 2.115,1119 15.097,1120 18.794,1121 0.256,1122 31.075,1123 14.207,1124 1,1125 2.821,1126 27.499,1127 2.011,1128 16.103,1129 19.958,1130 0.035,1131 33.274,1132 15.129,1133 4051,1134 6380,1135 15.485,1136 24.807,1137 31.983,1138 32.115,1139 31.86,1140 31.911,1141 31.899,1142 40.418,1143 4.635,1144 82.756,1145 29.989,1146 5.172,1147 5.14,1148 5.97,1149 4.925,1150 4.894,1151 6.729,1152 1.72,1153 15.377,1154 4.683,1156 1.454,1157 1.46,1158 1.448,1159 1.451,1160 1.45,1161 1.837,1162 0.211,1163 3.762,1164 1.363,1165 3.955,1166 4.005,1167 3.894,1168 3.86,1169 5.009,1170 3.856,1171 3.862,1172 3.906,1173 3.794,1174 3.702,1175 4.75,1176 3.726,1177 3.654,1178 3.712,1179 3.546,1180 3.437,1181 4.609,1182 3.454,1183 3.254,1184 3.338,1185 3.12,1186 3.061,1187 4.163,1188 3.062,1189 3.111,1190 3.206,1191 2.866,1192 2.941,1193 3.92,1194 2.91,1195 2.881,1196 2.952,1197 2.774,1198 2.735,1199 3.674,1200 2.715,1201 2.854,1202 2.925,1203 2.687,1204 2.615,1205 3.664,1206 2.631,1207 2.78,1208 2.856,1209 2.661,1210 2.572,1211 3.474,1212 2.599,1213 0.19,1214 0.143,1215 0.28,1216 0.174,1217 0.132,1218 4.172,1219 0.17,1220 3.14,1221 0.039,1222 6.168,1223 0.417,1224 3.821,1225 0.122,1226 2.894,1227 3.729,1228 0.86,1229 9.175,1230 2.683,1231 1.916,1232 1.883,1233 2.044,1234 2.048,1235 1.208,1236 2.038,1237 1.802,1238 1.75,1239 1.948,1240 1.981,1241 1.152,1242 1.984,1243 1.586,1244 1.529,1245 1.757,1246 1.821,1247 0.825,1248 1.808,1249 1.223,1250 1.149,1251 1.513,1252 1.466,1253 0.803,1254 1.474,1255 1.153,1256 1.064,1257 1.479,1258 1.376,1259 0.612,1260 1.429,1261 0.886,1262 0.821,1263 1.181,1264 1.113,1265 0.224,1266 1.107,1267 0.789,1268 0.712,1269 1.084,1270 1.062,1271 0.218,1272 1.101,1273 0.74,1274 0.666,1275 1.025,1276 0.981,1277 0.031,1278 1.002,1279 3.807,1281 5.056,1283 6.515,1285 8.057,1287 9.639,1295 4.054,1296 3.331,1297 5.356,1300 2.221,1305 23.488,1306 57.759,1307 123.041,1308 153.157,1309 166.666,1310 169.421,1311 169.421,1312 20.358,1313 6.528,1314 50.28,1315 50.28,1316 18,1317 11.812,1318 3.7,1319 2.807,1320 30.078,1321 66,1322 60,1323 0.221,1324 146.084,1325 246.13,1326 348.206,1327 5637,1329 13.623,1330 0.681,1331 0.566,1332 13.623,1333 11.327,1334 9.916,1335 0.451,1336 0.311,1337 6.722,1338 9.468,1339 6.609,1340 5.452,1341 9.916,1342 6.842,1343 8.272,1344 0.295,1345 0.168,1346 8.272,1347 4.7,1348 6.848,1349 0.196,1350 0.094,1351 6.848,1352 3.304,1353 5.576,1354 0.13,1355 0.051,1356 5.576,1357 2.198,1358 4.582,1359 0.086,1360 0.027,1361 4.582,1362 1.457,1363 0.348,1364 62.432,1365 0.254,1366 20.269,1367 0.596,1368 100,1369 283.004,1370 110.622,1371 271.086,1372 373.71,1373 258,1374 113,1375 271.073,1376 123.928,1377 274.165,1378 396.69,1379 258,1380 4.079}
{0 CHEMBL2158436,1 1.555,2 10.24,3 2.371,4 5.622,5 96.226,6 7.476,7 0.393,8 3.923,9 4.045,10 3.503,11 3.444,12 4.993,13 3.437,14 4.467,15 4.638,16 3.841,17 3.834,18 5.537,19 3.801,20 4.707,21 4.921,22 3.856,23 3.97,24 5.671,25 3.901,26 4.692,27 4.922,28 3.767,29 3.924,30 5.687,31 3.821,32 4.687,33 4.938,34 3.683,35 3.832,36 5.623,37 3.731,38 4.605,39 4.847,40 3.597,41 3.669,42 5.641,43 3.607,44 4.462,45 4.703,46 3.543,47 3.568,48 5.573,49 3.511,50 4.344,51 4.586,52 3.41,53 3.545,54 5.327,55 3.465,56 0.029,57 0.688,58 9.176,59 3.851,60 5.599,61 5.094,62 0.316,63 1.109,64 17.858,65 6.558,66 24.441,67 8.701,68 0.346,69 1.325,70 24.25,71 8.219,72 29.941,73 11.518,74 0.362,75 1.31,76 23.805,77 8.507,78 36.055,79 12.347,80 0.264,81 1.244,82 24.693,83 8.235,84 33.166,85 12.112,86 0.365,87 1.119,88 23.409,89 6.48,90 45.061,91 9.301,92 0.488,93 0.969,94 20.332,95 5.733,96 48.85,97 8.337,98 0.208,99 0.858,100 17.615,101 6.035,102 25.938,103 8.479,104 2,105 38,106 0.267,107 0.62,108 0.748,109 0.808,110 0.844,111 0.86,112 3.267,113 0.904,114 -4.45,115 -4.38,116 -4.13,119 42.2,125 5,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 1,175 3,178 3,179 1,180 2,183 14,186 1,192 2,195 12,198 2,199 1,202 3,204 5,207 6,211 1,212 3,217 5,220 2,224 5,229 4,232 1,236 1,237 7,240 2,242 3,245 2,250 7,255 1,258 3,263 7,271 3,275 871,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 15.529,282 19.274,283 10.519,284 17.78,285 13.886,286 13.886,287 13.886,288 13.886,289 13.886,290 11.033,291 24.897,292 5.038,293 14.539,294 3.937,295 1.886,296 1.137,297 0.789,298 0.578,299 0.489,300 3.972,303 1,304 1,305 1,306 567,307 2.345,311 277.784,315 106.782,318 1.45,319 19.939,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 256,332 4.494,333 3.564,334 6.506,335 4.031,336 3.034,337 4.43,338 1.321,339 10.197,340 3.027,341 4.253,342 3.143,343 6.2,344 3.873,345 2.938,346 3.626,347 0.986,348 9.316,349 2.748,350 3.645,351 3.106,352 5.445,353 3.393,354 2.465,355 2.921,356 0.86,357 7.205,358 2.288,359 3.505,360 2.805,361 5.194,362 3.133,363 2.139,364 2.716,365 0.845,366 6.236,367 2.121,368 3.39,369 2.32,370 4.788,371 2.911,372 1.93,373 2.55,374 0.56,375 5.388,376 1.871,377 3.118,378 2.234,379 4.347,380 2.631,381 1.725,382 2.427,383 0.175,384 4.229,385 1.618,386 2.898,387 1.618,388 4.164,389 2.618,390 1.618,391 1.905,393 3.797,394 1.554,395 2.77,396 1.561,397 3.6,398 2.275,399 1.276,400 1.884,402 2.851,403 1.274,404 2.411,405 1.301,406 3.493,407 2.011,408 1.09,409 1.372,411 2.619,412 1.004,413 2.214,414 1.256,415 3.406,416 1.952,417 1,418 1.156,420 2.326,421 0.946,422 2,423 1.183,424 3.247,425 1.94,426 1,427 1,428 2.136,429 0.929,430 1.819,431 0.746,432 3.09,433 1.478,434 0.527,435 0.646,436 1.253,437 0.5,438 1.223,439 0.689,440 2.579,441 0.703,442 -0.277,443 -0.343,445 -0.722,446 -0.27,447 1.031,448 -0.047,449 2.51,450 0.619,451 -0.39,452 -0.501,454 -0.997,455 -0.379,456 0.882,457 -0.209,458 2.306,459 0.415,460 -0.541,461 -0.675,463 -1.332,464 -0.524,465 11.767,466 0.471,467 0.465,468 0.019,469 31.5,470 1.26,471 14.5,472 0.58,473 17,474 0.68,475 18.651,476 0.746,477 26.633,478 0.592,479 22.619,480 0.905,481 6.575,482 0.263,483 5.718,484 0.229,485 0.028,487 0.289,493 0.845,494 1.383,495 0.772,496 1.095,497 0.605,498 0.942,499 1.025,500 0.942,501 0.965,502 0.941,503 0.643,504 0.946,505 1.111,506 1.032,507 1.042,508 0.931,509 0.978,510 0.964,511 0.527,512 1.081,513 1.008,514 1.125,515 0.617,516 1.135,517 0.79,518 1.153,519 0.949,520 1.077,521 0.883,522 1.037,523 1.609,524 1.064,525 1.15,526 0.908,527 1.933,528 0.937,529 1.217,530 0.863,531 1.001,532 0.76,533 1.521,534 0.818,535 1.066,536 0.851,537 0.886,538 0.84,539 1.061,540 0.832,541 4,542 0.049,543 2.222,544 1.313,545 1.12,546 0.576,547 0.266,548 0.24,549 0.226,550 0.124,551 7718,552 19350,553 2.179,554 44.4,556 18,559 2,564 1.679,565 2.113,566 3.34,567 0.273,568 1,569 1,571 1,573 69.984,574 1.555,575 3.606,576 4.355,577 4.703,578 4.914,579 5.003,580 2.71,581 4.404,582 4.621,583 3.479,584 1043.64,585 7.983,586 12757.2,588 1,590 1,591 247.133,592 1.078,593 4.606,594 0.143,595 0.003,596 0.058,597 0.035,598 0.034,599 0.019,600 0.01,601 0.009,602 0.009,603 0.006,604 0.326,605 0.17,606 1,607 0.372,608 120.867,609 -0.056,610 -0.196,611 0.06,612 -0.063,613 -0.038,614 0.006,615 0.044,616 0.179,617 -0.046,618 0.034,619 0.055,620 -0.02,621 -0.128,622 0.006,623 -0.087,624 0.038,625 -0.108,626 -0.009,627 0.195,628 -0.049,629 -0.07,630 -0.151,631 0.108,632 -0.157,633 0.036,634 -0.178,635 0.03,636 -0.115,637 -0.018,638 -0.053,639 -0.269,640 -0.065,641 -0.11,642 -0.012,643 -0.256,644 -0.027,645 0.097,646 0.141,647 0.036,648 0.145,649 0.049,650 0.099,651 -0.089,652 0.102,653 0.104,654 0.145,655 0.025,656 0.159,657 1.822,658 4.984,659 0.88,660 19.526,661 1.003,662 1.127,663 3.22,664 10.366,665 0.667,666 3.367,667 3.664,668 3.932,669 4.205,670 4.431,671 4.394,672 4.5,673 4.575,674 4.691,675 4.663,676 6.133,677 0.638,678 336.43,679 3.367,680 4.89,681 5.733,682 6.6,683 7.456,684 8.327,685 9.188,686 10.06,687 10.923,688 11.795,689 8.9,691 1,692 1,696 1,698 1,703 2,704 7,709 1,711 11,731 45,733 14,734 2,735 28,737 48,738 19,739 10,740 3,741 7,742 4,746 4,747 5,750 1,761 14,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 20,782 6,783 2,784 6,790 4,794 0.75,795 2,812 4,816 1,826 1,831 1,835 1,836 1,839 1,840 3,848 25,854 5,855 2,856 1,859 1,870 4.4,873 1,874 1,877 11.833,878 7.9,879 5.5,880 2.676,881 2.97,882 1.401,883 1.016,884 4.679,885 10.376,886 3.624,887 4.182,888 4.749,889 5.321,890 5.84,891 6.021,892 6.331,893 6.652,894 7.028,895 6.927,896 0.857,897 38,898 9.243,900 3.924,901 7.66,902 17.849,904 14.701,905 2.16,906 54,909 1,910 211.88,911 108.575,912 55.931,914 36.145,917 108.575,918 248.025,919 55.931,921 33.513,922 93.821,923 40.849,924 30.569,925 1.899,926 211.88,928 211.88,929 164.506,930 36.145,933 211.88,934 25.145,935 11,937 71.433,938 83.597,939 9.476,941 211.88,942 92.076,943 108.575,946 211.88,947 32.765,948 78.934,949 36.022,950 52.93,951 211.88,952 92.076,953 108.575,955 0.571,956 0.333,957 0.191,958 0.106,959 19,960 7,961 0.083,962 4,963 1,964 1.091,965 3.825,966 207.431,967 0.091,968 22,969 110.096,974 16.124,975 7.255,976 3.676,977 2.398,978 92.076,979 14.483,984 1.164,986 36.022,987 412.531,988 36.5,993 11.984,995 1.536,996 4.556,997 1.02,999 45.131,1000 50.734,1001 0.283,1002 0.657,1003 0.793,1004 0.856,1005 0.895,1006 0.911,1007 4.85,1008 1.276,1009 5.687,1010 3.797,1011 4.344,1012 4.868,1013 2.235,1014 6.46,1015 4.263,1016 6.029,1017 1.09,1018 7.212,1019 2.851,1020 3.761,1021 4.575,1022 0.81,1023 7.261,1024 3.666,1025 7.32,1026 1,1027 8.838,1028 2.619,1029 5.889,1030 7.034,1031 2.244,1032 10.374,1033 5.739,1034 8.647,1035 1,1036 10.527,1037 2.326,1038 6.155,1039 7.624,1040 1.296,1041 12.045,1042 5.995,1043 10.01,1044 0.527,1045 12.259,1046 2.136,1047 7.713,1048 9.537,1049 2.43,1050 14.642,1051 7.507,1052 11.398,1053 -0.277,1054 14.019,1055 1.253,1056 8.401,1057 10.578,1058 1.822,1059 16.674,1060 8.19,1061 12.805,1062 -0.39,1063 15.801,1064 -0.722,1065 9.701,1066 12.249,1067 2.731,1068 19.085,1069 9.455,1070 3.034,1071 -0.541,1072 17.599,1073 -0.997,1074 10.601,1075 13.518,1076 2.383,1077 21.27,1078 10.35,1079 2.938,1080 10.197,1081 19.408,1082 -1.332,1083 11.784,1084 15.081,1085 3.117,1086 23.612,1087 11.508,1088 2.465,1089 9.316,1090 21.227,1091 4.43,1092 12.787,1093 16.462,1094 2.959,1095 25.863,1096 12.506,1097 2.139,1098 7.205,1099 23.053,1100 3.626,1101 13.919,1102 17.978,1103 3.561,1104 28.18,1105 13.62,1106 1.93,1107 6.236,1108 24.885,1109 2.921,1110 14.971,1111 19.413,1112 3.538,1113 30.46,1114 14.667,1115 1.725,1116 5.388,1117 26.722,1118 2.716,1119 16.081,1120 20.91,1121 4.046,1122 32.769,1123 15.766,1124 1.618,1125 4.229,1126 28.562,1127 2.55,1128 17.156,1129 22.37,1130 4.115,1131 35.063,1132 16.836,1133 7182,1134 11489,1135 19.474,1136 30.023,1137 41.747,1138 42.788,1139 41.814,1140 41.436,1141 41.486,1142 53.264,1143 9.494,1144 115.105,1145 39.762,1146 5.494,1147 5.564,1148 6.308,1149 5.135,1150 5.034,1151 7.43,1152 2.44,1153 16.978,1154 5.027,1155 6.238,1156 1.491,1157 1.528,1158 1.493,1159 1.48,1160 1.482,1161 1.902,1162 0.339,1163 4.111,1164 1.42,1165 4.094,1166 4.117,1167 4.046,1168 4.053,1169 7.43,1170 4.049,1171 3.892,1172 3.944,1173 3.84,1174 3.688,1175 4.908,1176 3.719,1177 3.661,1178 3.718,1179 3.556,1180 3.443,1181 4.782,1182 3.456,1183 3.498,1184 3.543,1185 3.396,1186 3.391,1187 4.591,1188 3.392,1189 3.292,1190 3.355,1191 3.179,1192 3.136,1193 4.339,1194 3.135,1195 3.111,1196 3.206,1197 2.907,1198 2.941,1199 4.069,1200 2.91,1201 2.985,1202 3.042,1203 2.866,1204 2.827,1205 3.837,1206 2.838,1207 2.944,1208 2.989,1209 2.866,1210 2.599,1211 3.618,1212 2.659,1213 0.16,1214 0.127,1215 0.232,1216 0.144,1217 0.108,1218 4.494,1219 0.158,1220 3.564,1221 0.047,1222 6.506,1223 0.364,1224 4.031,1225 0.108,1226 3.034,1227 4.43,1228 1.321,1229 10.197,1230 3.027,1231 2.081,1232 2.062,1233 2.165,1234 2.137,1235 1.324,1236 2.147,1237 1.788,1238 1.738,1239 1.943,1240 2.018,1241 1.207,1242 1.995,1243 1.581,1244 1.527,1245 1.75,1246 1.837,1247 0.854,1248 1.814,1249 1.499,1250 1.459,1251 1.669,1252 1.636,1253 0.825,1254 1.653,1255 1.269,1256 1.21,1257 1.513,1258 1.471,1259 0.704,1260 1.484,1261 1.153,1262 1.064,1263 1.498,1264 1.376,1265 0.601,1266 1.429,1267 0.958,1268 0.899,1269 1.19,1270 1.168,1271 0.267,1272 1.167,1273 0.783,1274 0.721,1275 1.08,1276 1.128,1277 0.213,1278 1.113,1279 4.043,1281 5.342,1283 6.851,1285 8.455,1287 10.105,1295 3.412,1296 6.018,1297 5.357,1300 2.071,1305 28.73,1306 69.984,1307 162.263,1308 195.972,1309 211.624,1310 221.133,1311 225.133,1312 32.087,1313 7.406,1314 70.25,1315 70.25,1316 24,1317 12.339,1318 3.907,1319 3.248,1320 35.954,1321 93,1322 82,1323 0.188,1324 175.202,1325 306.48,1326 419.252,1327 17618,1329 17.062,1330 0.682,1331 0.555,1332 17.062,1333 13.865,1334 12.293,1335 0.439,1336 0.301,1337 8.307,1338 11.788,1339 8.175,1340 6.713,1341 12.293,1342 8.441,1343 10.813,1344 0.285,1345 0.159,1346 10.813,1347 6.043,1348 9.062,1349 0.181,1350 0.088,1351 9.062,1352 4.389,1353 7.909,1354 0.12,1355 0.047,1356 7.909,1357 3.109,1358 6.541,1359 0.079,1360 0.026,1361 6.541,1362 2.121,1363 0.295,1364 77.18,1365 0.227,1366 24.321,1367 0.512,1368 132,1369 377.427,1370 145.558,1371 361.923,1372 498.87,1373 342,1374 154,1375 365.85,1376 167.089,1377 369.077,1378 541.29,1379 349,1380 5.367}
{0 CHEMBL2158437,1 1.834,2 9.478,3 2.792,4 7.792,5 89.385,6 9.109,7 0.24,8 3.792,9 3.903,10 3.52,11 3.306,12 4.9,13 3.305,14 4.339,15 4.503,16 3.906,17 3.692,18 5.475,19 3.663,20 4.573,21 4.77,22 4.095,23 3.841,24 5.668,25 3.767,26 4.526,27 4.745,28 3.832,29 3.735,30 5.631,31 3.63,32 4.462,33 4.691,34 3.673,35 3.615,36 5.505,37 3.531,38 4.375,39 4.578,40 3.688,41 3.492,42 5.555,43 3.463,44 4.295,45 4.505,46 3.671,47 3.445,48 5.523,49 3.384,50 4.167,51 4.388,52 3.586,53 3.391,54 5.301,55 3.293,56 0.114,57 0.582,58 5.835,59 3.171,60 7.903,61 3.839,62 0.427,63 0.899,64 14.016,65 5.584,66 24.916,67 6.751,68 0.606,69 1.024,70 26.594,71 7.377,72 45.105,73 9.069,74 0.593,75 0.958,76 26.149,77 7.32,78 46.99,79 9.713,80 0.517,81 0.884,82 25.673,83 6.802,84 44.159,85 8.997,86 0.565,87 0.814,88 18.864,89 5.105,90 53.902,91 6.155,92 0.628,93 0.707,94 19.069,95 5.236,96 54.588,97 6.654,98 0.429,99 0.587,100 19.067,101 5.707,102 40.728,103 7.233,104 10,105 34,106 0.33,107 0.693,108 0.819,109 0.85,110 0.85,111 0.85,112 3.188,113 0.96,114 -4.41,115 -4.34,116 -4.09,119 38.5,125 5,135 1,139 1,142 3,143 1,144 2,158 1,159 1,172 3,174 1,175 3,178 3,179 1,180 2,183 4,186 1,192 1,195 6,198 2,199 1,202 3,204 4,207 2,211 1,212 2,217 3,224 4,229 2,232 1,236 1,237 4,240 2,242 2,245 1,250 4,258 2,263 5,271 2,275 724,276 15.499,277 15.499,278 15.499,279 15.499,280 15.499,281 14.098,282 20.097,283 9.262,284 16.126,285 12.339,286 12.339,287 12.339,288 12.339,289 12.339,290 10.172,291 24.207,292 4.418,293 13.477,294 3.451,295 1.435,296 0.737,297 0.564,298 0.564,299 0.564,300 3.87,301 2,303 1,304 1,305 1,306 465,307 2.345,311 228.377,318 1.501,319 25.654,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.667,331 218,332 4.321,333 3.565,334 6.336,335 3.891,336 2.967,337 3.98,338 1.321,339 9.408,340 2.754,341 4.249,342 3.425,343 6.2,344 3.844,345 2.924,346 3.625,347 0.986,348 9.308,349 2.651,350 3.633,351 3.126,352 5.44,353 3.386,354 2.46,355 2.749,356 0.86,357 7.192,358 2.279,359 3.426,360 2.832,361 5.03,362 3.017,363 2.065,364 2.583,365 0.845,366 5.722,367 1.932,368 3.274,369 2.492,370 4.78,371 2.817,372 1.879,373 2.498,374 0.56,375 5.322,376 1.68,377 2.897,378 2.285,379 4.346,380 2.628,381 1.724,382 2.029,383 0.175,384 4.227,385 1.549,386 2.867,387 1.903,388 3.88,389 2.359,390 1.414,391 1.884,393 3.185,394 1.284,395 2.217,396 1.557,397 3.492,398 1.958,399 1.081,400 1.162,402 2.617,403 0.946,404 2,405 1.301,406 3.297,407 1.952,408 1,409 1,411 2.136,412 0.941,413 1.949,414 1.256,415 3.247,416 1.65,417 0.768,418 0.854,420 1.818,421 0.644,422 1.341,423 0.766,424 2.657,425 0.857,426 0.121,427 0.136,428 0.271,429 0.072,430 1.187,431 0.694,432 2.548,433 0.637,434 -0.347,435 -0.426,436 -0.871,437 -0.295,438 0.916,439 0.026,440 2.359,441 0.538,442 -0.397,443 -0.503,445 -1.008,446 -0.378,447 0.63,448 -0.204,449 2.21,450 0.391,451 -0.557,452 -0.687,454 -1.342,455 -0.5,456 0.318,457 -0.335,458 1.953,459 0.09,460 -0.834,461 -0.928,463 -2.084,464 -0.705,465 11.195,466 0.487,467 0.541,468 0.024,469 26.5,470 1.152,471 10.5,472 0.457,473 16,474 0.696,475 19.288,476 0.839,477 25.405,478 0.651,479 18.624,480 0.81,481 5.528,482 0.24,483 5.603,484 0.244,485 0.157,487 0.304,493 0.788,494 1.546,495 0.541,496 0.972,497 0.576,498 0.881,499 0.947,500 0.991,501 0.665,502 0.782,503 0.615,504 0.852,505 1.068,506 1.104,507 0.795,508 0.811,509 0.938,510 0.902,511 0.728,512 1.039,513 1.067,514 1.096,515 0.751,516 1.118,517 0.902,518 1.11,519 0.978,520 1.063,521 0.986,522 1.017,523 1.424,524 1.09,525 0.835,526 0.872,527 1.849,528 0.935,529 1.008,530 0.822,531 0.814,532 0.781,533 1.393,534 0.859,535 0.844,536 0.783,537 0.788,538 0.842,539 0.915,540 0.817,541 4.5,542 0.066,543 2.444,544 1.438,545 1.178,546 0.597,547 0.287,548 0.299,549 0.222,550 0.12,551 5731,552 19919,553 2.067,554 41,556 14,559 2,564 1.657,565 1.944,566 3.249,567 0.407,568 1,569 1,571 1,573 71.527,574 1.834,575 3.85,576 4.548,577 4.721,578 4.721,579 4.721,580 2.703,581 4.176,582 4.499,583 3.4,584 860.101,585 7.741,586 9924.31,587 1,588 1,589 1,590 1,591 206.131,592 1.371,593 4.458,594 0.18,595 0.006,596 0.072,597 0.042,598 0.042,599 0.023,600 0.011,601 0.013,602 0.011,603 0.007,604 0.407,605 0.17,606 1,607 0.58,608 108.027,609 -0.098,610 -0.292,611 0.009,612 -0.083,613 -0.043,614 -0.017,615 -0.032,616 0.156,617 0.013,618 0.101,619 0.047,620 0.024,621 -0.116,622 -0.072,623 0.093,624 0.124,625 -0.06,626 0.034,627 0.094,628 -0.023,629 -0.101,630 -0.146,631 0.057,632 -0.149,633 -0.035,634 -0.137,635 -0.068,636 -0.121,637 -0.072,638 -0.037,639 -0.269,640 -0.052,641 -0.08,642 -0.018,643 -0.288,644 -0.067,645 0.109,646 0.163,647 0.05,648 0.13,649 0.026,650 0.066,651 0.111,652 0.096,653 0.207,654 0.18,655 0.173,656 0.228,657 1.874,658 4.845,659 0.783,660 17.762,661 1.023,662 1.133,663 3.175,664 10.081,665 0.692,666 3.258,667 3.555,668 3.784,669 3.989,670 4.174,671 4.127,672 4.19,673 4.234,674 4.331,675 4.317,676 5.825,677 0.663,678 355.25,679 3.258,680 4.779,681 5.609,682 6.466,683 7.31,684 8.17,685 9.018,686 9.879,687 10.73,688 11.591,689 10.3,691 1,692 1,696 1,698 1,704 3,709 3,711 6,730 2,731 39,733 9,734 1,735 25,737 41,738 15,739 6,740 3,741 3,742 4,746 3,747 3,748 2,750 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 16,782 6,783 2,784 8,785 2,790 4,794 1,795 2,812 3,826 1,831 1,835 1,836 1,839 1,840 3,845 2,848 23,854 5,855 2,856 1,859 1,869 2,870 5.1,873 1,874 1,877 11.833,878 6.852,879 5.083,880 2.248,881 1.776,882 1.26,883 0.978,884 5.429,885 8.598,886 3.466,887 3.98,888 4.44,889 4.882,890 5.283,891 5.312,892 5.369,893 5.554,894 5.91,895 6.126,896 1,897 34,898 8.478,900 3.57,901 7.857,902 16.007,904 12.869,905 2.357,906 54.222,910 164.795,911 72.525,912 55.931,913 78.297,914 36.145,917 72.525,918 279.238,919 55.931,921 33.513,922 55.916,923 40.849,924 32.425,925 1.899,926 164.795,927 78.297,928 164.795,929 128.457,930 36.145,931 78.297,933 164.795,934 25.145,935 11,937 71.433,938 47.547,939 87.774,941 164.795,942 92.076,943 150.823,946 164.795,947 34.62,948 41.029,949 36.022,950 131.228,951 164.795,952 92.076,953 150.823,955 0.578,956 0.334,957 0.175,958 0.093,959 16,960 7,961 0.098,962 4,964 1,965 3.558,966 177.691,968 18,969 100.042,974 16.58,975 7.531,976 4.175,978 92.076,979 5.42,984 1.821,986 36.022,987 407.694,988 31,993 11.845,995 1.489,996 4.452,997 0.827,999 39.894,1000 44.206,1001 0.347,1002 0.728,1003 0.861,1004 0.893,1005 0.893,1006 0.893,1007 4.705,1008 1.081,1009 5.58,1010 3.185,1011 4.234,1012 4.663,1013 2.235,1014 6.344,1015 4.065,1016 5.881,1017 1,1018 7.112,1019 2.617,1020 3.761,1021 4.425,1022 0.81,1023 7.135,1024 3.462,1025 7.173,1026 0.768,1027 8.744,1028 2.136,1029 5.784,1030 6.73,1031 2.244,1032 10.214,1033 5.465,1034 8.495,1035 0.121,1036 10.433,1037 1.818,1038 6.111,1039 7.284,1040 1.296,1041 11.815,1042 5.646,1043 9.849,1044 -0.347,1045 12.16,1046 0.271,1047 7.604,1048 9.093,1049 2.43,1050 14.395,1051 7.124,1052 11.223,1053 -0.397,1054 13.912,1055 -0.871,1056 8.316,1057 10.029,1058 1.822,1059 16.34,1060 7.696,1061 12.614,1062 -0.557,1063 15.682,1064 -1.008,1065 9.579,1066 11.62,1067 2.731,1068 18.726,1069 8.927,1070 2.967,1071 -0.834,1072 17.465,1073 -1.342,1074 10.479,1075 12.753,1076 2.383,1077 20.826,1078 9.703,1079 2.924,1080 9.408,1081 19.259,1082 -2.084,1083 11.638,1084 14.239,1085 3.117,1086 23.129,1087 10.813,1088 2.46,1089 9.308,1090 21.061,1091 3.98,1092 12.631,1093 15.476,1094 2.959,1095 25.301,1096 11.695,1097 2.065,1098 7.192,1099 22.87,1100 3.625,1101 13.744,1102 16.907,1103 3.561,1104 27.568,1105 12.746,1106 1.879,1107 5.722,1108 24.683,1109 2.749,1110 14.781,1111 18.201,1112 3.538,1113 29.773,1114 13.684,1115 1.724,1116 5.322,1117 26.501,1118 2.583,1119 15.874,1120 19.603,1121 4.046,1122 32.023,1123 14.707,1124 1.414,1125 4.227,1126 28.322,1127 2.498,1128 16.932,1129 20.929,1130 4.115,1131 34.245,1132 15.673,1133 5563,1134 10497,1135 16.701,1136 26.977,1137 37.068,1138 38.866,1139 37.697,1140 36.843,1141 36.806,1142 45.002,1143 9.494,1144 102.412,1145 33.465,1146 5.321,1147 5.565,1148 6.138,1149 4.994,1150 4.967,1151 6.98,1152 2.44,1153 16.084,1154 4.754,1155 10.348,1156 1.483,1157 1.555,1158 1.508,1159 1.474,1160 1.472,1161 1.8,1162 0.38,1163 4.096,1164 1.339,1165 3.954,1166 3.992,1167 4.123,1168 3.888,1169 7.43,1170 3.878,1171 3.866,1172 3.901,1173 3.844,1174 3.683,1175 5.038,1176 3.712,1177 3.652,1178 3.706,1179 3.557,1180 3.417,1181 4.792,1182 3.441,1183 3.304,1184 3.369,1185 3.43,1186 3.119,1187 4.591,1188 3.122,1189 3.111,1190 3.206,1191 3.302,1192 2.941,1193 4.487,1194 2.91,1195 2.945,1196 3.003,1197 3.101,1198 2.838,1199 4.284,1200 2.806,1201 2.899,1202 2.919,1203 2.875,1204 2.712,1205 4.036,1206 2.725,1207 2.879,1208 2.917,1209 2.866,1210 2.591,1211 3.713,1212 2.658,1213 0.173,1214 0.143,1215 0.253,1216 0.156,1217 0.119,1218 4.321,1219 0.159,1220 3.565,1221 0.053,1222 6.336,1223 0.376,1224 3.891,1225 0.11,1226 2.967,1227 3.98,1228 1.321,1229 9.408,1230 2.754,1231 1.902,1232 1.883,1233 1.978,1234 2.033,1235 1.207,1236 2.014,1237 1.783,1238 1.734,1239 1.938,1240 1.959,1241 1.152,1242 1.966,1243 1.563,1244 1.512,1245 1.713,1246 1.818,1247 0.825,1248 1.794,1249 1.258,1250 1.194,1251 1.513,1252 1.489,1253 0.751,1254 1.494,1255 1.153,1256 1.064,1257 1.49,1258 1.376,1259 0.629,1260 1.429,1261 0.847,1262 0.827,1263 1.091,1264 1.162,1265 0.224,1266 1.135,1267 0.836,1268 0.771,1269 0.998,1270 1.026,1271 0.086,1272 1.012,1273 0.75,1274 0.709,1275 0.944,1276 0.947,1277 0.056,1278 0.987,1279 3.932,1281 5.231,1283 6.73,1285 8.317,1287 9.945,1290 12.153,1295 3.117,1296 5.761,1297 5.313,1300 2.024,1305 25.858,1306 71.527,1307 150.157,1308 177.376,1309 184.131,1310 184.131,1311 184.131,1312 37.283,1313 6.822,1314 70.25,1315 70.25,1316 18,1317 12.143,1318 3.322,1319 2.807,1320 36.857,1321 80,1322 70,1323 0.223,1324 166.746,1325 296.24,1326 398.621,1327 7944,1328 5.1,1329 16.234,1330 0.706,1331 0.601,1332 17.234,1333 13.824,1334 11.131,1335 0.445,1336 0.32,1337 7.167,1338 10.075,1339 7,1340 5.709,1341 11.708,1342 7.997,1343 9.941,1344 0.292,1345 0.174,1346 10.645,1347 5.903,1348 8.215,1349 0.191,1350 0.102,1351 9.225,1352 4.399,1353 6.578,1354 0.124,1355 0.052,1356 7.066,1357 2.734,1358 5.135,1359 0.08,1360 0.027,1361 5.456,1362 1.731,1363 0.35,1364 76.56,1365 0.245,1366 22.636,1367 0.613,1368 118,1369 395.834,1370 162.596,1371 433.79,1372 563.49,1373 404,1374 136,1375 356.576,1376 178.27,1377 376.539,1378 552.62,1379 354,1380 5.523}
{0 CHEMBL2158438,1 1.745,2 9.409,3 2.127,4 4.525,5 84.581,6 8.226,7 0.25,8 3.784,9 3.905,10 3.431,11 3.274,12 4.872,13 3.274,14 4.331,15 4.504,16 3.784,17 3.649,18 5.444,19 3.62,20 4.559,21 4.772,22 3.761,23 3.76,24 5.57,25 3.686,26 4.505,27 4.748,28 3.663,29 3.669,30 5.537,31 3.567,32 4.452,33 4.693,34 3.585,35 3.574,36 5.466,37 3.493,38 4.365,39 4.579,40 3.505,41 3.459,42 5.492,43 3.423,44 4.282,45 4.507,46 3.506,47 3.378,48 5.483,49 3.319,50 4.149,51 4.391,52 3.26,53 3.329,54 5.121,55 3.213,56 0.076,57 0.592,58 7.202,59 3.192,60 6.065,61 4.146,62 0.374,63 0.912,64 15.418,65 5.476,66 24.363,67 7.109,68 0.476,69 1.042,70 23.511,71 6.833,72 36.543,73 9.324,74 0.458,75 0.983,76 22.014,77 6.742,78 38.506,79 9.755,80 0.415,81 0.893,82 23.389,83 6.272,84 37.623,85 9.006,86 0.447,87 0.825,88 18.803,89 4.825,90 45.745,91 6.436,92 0.569,93 0.72,94 18.161,95 4.782,96 51.6,97 6.751,98 0.29,99 0.603,100 17.145,101 5.408,102 28.487,103 7.232,104 5,105 32,106 0.314,107 0.68,108 0.813,109 0.85,110 0.85,111 0.85,112 3.146,113 0.938,114 -4.16,115 -4.11,116 -3.88,119 38.5,125 5,135 1,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 1,175 3,178 3,179 1,180 2,183 6,186 1,192 2,195 4,198 2,199 1,202 3,204 3,207 1,211 1,212 3,217 4,224 3,229 1,232 1,236 1,237 6,240 2,242 2,245 2,250 2,258 1,263 5,271 2,275 656,276 14.947,277 14.947,278 14.947,279 14.947,280 14.947,281 13.626,282 20.876,283 9.101,284 15.502,285 11.904,286 11.904,287 11.904,288 11.904,289 11.904,290 9.815,291 26.509,292 4.404,293 12.825,294 3.541,295 1.508,296 0.769,297 0.564,298 0.564,299 0.564,300 3.831,301 1,303 1,304 1,305 1,306 444,307 2.236,311 218.077,318 1.5,319 21.611,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.333,331 207,332 4.256,333 3.564,334 6.2,335 3.877,336 2.944,337 3.659,338 1.321,339 9.317,340 2.751,341 4.041,342 3.129,343 5.531,344 3.618,345 2.66,346 3.615,347 0.986,348 7.505,349 2.547,350 3.631,351 3.02,352 5.408,353 3.378,354 2.449,355 2.748,356 0.86,357 7.12,358 2.276,359 3.424,360 2.822,361 4.82,362 3.003,363 2.056,364 2.582,365 0.845,366 5.504,367 1.923,368 3.273,369 2.471,370 4.708,371 2.814,372 1.879,373 2.498,374 0.56,375 5.187,376 1.673,377 2.897,378 2.279,379 4.346,380 2.628,381 1.724,382 1.885,383 0.175,384 4.226,385 1.549,386 2.672,387 1.56,388 3.495,389 2.184,390 1.208,391 1.749,393 2.639,394 1.151,395 2.216,396 1.329,397 3.486,398 1.956,399 1.076,400 1.16,402 2.601,403 0.946,404 2,405 1.256,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.939,413 1.839,414 0.922,415 3.195,416 1.547,417 0.613,418 0.704,420 1.484,421 0.57,422 1.207,423 0.711,424 2.578,425 0.649,426 -0.347,427 -0.425,428 -0.833,429 -0.252,430 0.948,431 0.209,432 2.496,433 0.556,434 -0.392,435 -0.501,436 -0.98,437 -0.362,438 0.752,439 -0.112,440 2.121,441 0.404,442 -0.455,443 -0.54,445 -1.21,446 -0.396,447 0.619,448 -0.212,449 2,450 0.31,451 -0.623,452 -0.757,454 -1.526,455 -0.6,456 0.304,457 -0.36,458 1.762,459 0.045,460 -0.908,461 -1,463 -2.327,464 -0.846,465 10.481,466 0.476,467 0.468,468 0.021,469 25.75,470 1.17,471 10.5,472 0.477,473 15.25,474 0.693,475 16.917,476 0.769,477 24.319,478 0.624,479 17.872,480 0.812,481 5.425,482 0.247,483 5.278,484 0.24,485 0.1,487 0.277,493 0.816,494 1.549,495 0.616,496 1.077,497 0.588,498 0.943,499 0.984,500 1.003,501 0.765,502 0.881,503 0.607,504 0.921,505 1.156,506 1.121,507 1.035,508 0.965,509 1.022,510 1.013,511 0.597,512 1.026,513 0.839,514 0.984,515 0.644,516 1.031,517 0.87,518 1.105,519 0.98,520 1.055,521 0.963,522 0.984,523 1.646,524 1.065,525 1.026,526 0.88,527 2.05,528 0.958,529 0.982,530 0.835,531 0.798,532 0.823,533 1.392,534 0.89,535 1.031,536 0.778,537 0.909,538 0.843,539 1.141,540 0.872,541 4.5,542 0.049,543 1.556,544 1.125,545 1.067,546 0.486,547 0.287,548 0.245,549 0.152,550 0.08,551 5222,552 16186,553 2.097,554 43.6,556 15,559 2,564 1.644,565 2,566 3.249,567 0.393,568 1,569 1,571 1,573 68.04,574 1.745,575 3.777,576 4.516,577 4.721,578 4.721,579 4.721,580 2.72,581 3.845,582 4.433,583 3.39,584 783.1,585 7.607,586 8770.58,587 1,588 1,590 1,591 206.131,592 1.241,593 4.407,594 0.188,595 0.005,596 0.049,597 0.038,598 0.041,599 0.019,600 0.012,601 0.012,602 0.009,603 0.005,604 0.377,605 0.33,606 1,607 0.517,608 101.945,609 -0.086,610 -0.294,611 0.024,612 -0.1,613 -0.042,614 -0.02,615 -0.004,616 0.14,617 -0.01,618 0.046,619 0.071,620 -0.017,621 -0.184,622 -0.091,623 -0.128,624 -0.023,625 -0.14,626 -0.073,627 0.159,628 -0.007,629 0.019,630 -0.054,631 0.11,632 -0.065,633 0.012,634 -0.137,635 -0.013,636 -0.106,637 -0.029,638 -0.009,639 -0.389,640 -0.035,641 -0.193,642 -0.017,643 -0.363,644 -0.088,645 0.183,646 0.145,647 0.067,648 0.076,649 0.098,650 0.028,651 -0.093,652 0.103,653 0.078,654 0.175,655 -0.051,656 0.159,657 1.843,658 4.805,659 0.818,660 17.289,661 1.015,662 1.135,663 2.932,664 8.596,665 0.67,666 3.219,667 3.497,668 3.689,669 3.932,670 4.127,671 4.06,672 4.127,673 4.159,674 4.263,675 4.205,676 5.75,677 0.642,678 320.81,679 3.219,680 4.727,681 5.541,682 6.392,683 7.22,684 8.075,685 8.91,686 9.766,687 10.604,688 11.461,689 10.3,691 1,692 1,696 1,698 1,704 4,709 2,711 6,730 1,731 39,733 9,734 1,735 24,737 41,738 15,739 6,740 2,741 4,742 4,746 3,747 3,748 1,750 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 17,782 6,783 2,784 7,785 1,790 4,794 1,795 2,812 3,826 1,831 1,835 1,836 1,839 1,840 3,845 1,848 22,854 5,855 2,856 1,859 1,869 1,870 5.1,873 1,874 1,877 11,878 6.793,879 4.861,880 2.254,881 1.722,882 1.256,883 0.979,884 4.976,885 8.443,886 3.434,887 3.922,888 4.347,889 4.817,890 5.222,891 5.21,892 5.272,893 5.469,894 5.847,895 6.004,896 1,897 30,898 8.113,900 3.389,901 7.793,902 15.446,904 12.383,905 2.293,906 50.444,910 176.567,911 78.501,912 55.931,913 39.149,914 36.145,917 78.501,918 251.86,919 55.931,921 33.513,922 65.392,923 40.849,924 28.924,925 1.899,926 176.567,927 39.149,928 176.567,929 134.432,930 36.145,931 39.149,933 176.567,934 25.145,935 11,937 71.433,938 53.523,939 48.625,941 176.567,942 92.076,943 117.65,946 176.567,947 31.12,948 50.506,949 36.022,950 92.079,951 176.567,952 92.076,953 117.65,955 0.57,956 0.315,957 0.174,958 0.097,959 15,960 6,961 0.098,962 4,964 1,965 3.532,966 165.078,968 18,969 94.107,974 15.342,975 7.135,976 4.231,978 92.076,979 7.547,984 1.703,986 36.022,987 386.292,988 30,993 11.805,995 1.51,996 4.465,997 0.944,999 39.571,1000 44.262,1001 0.33,1002 0.715,1003 0.854,1004 0.893,1005 0.893,1006 0.893,1007 4.659,1008 1.076,1009 5.493,1010 2.639,1011 4.174,1012 4.605,1013 2.235,1014 6.217,1015 4.037,1016 5.818,1017 1,1018 6.989,1019 2.601,1020 3.611,1021 4.248,1022 0.81,1023 6.88,1024 3.384,1025 7.09,1026 0.613,1027 8.578,1028 2.136,1029 5.68,1030 6.616,1031 2.244,1032 9.95,1033 5.422,1034 8.389,1035 -0.347,1036 10.221,1037 1.484,1038 5.889,1039 7.005,1040 1.296,1041 11.43,1042 5.548,1043 9.718,1044 -0.392,1045 11.9,1046 -0.833,1047 7.43,1048 8.883,1049 2.43,1050 13.99,1051 7.054,1052 11.065,1053 -0.455,1054 13.603,1055 -0.98,1056 8.033,1057 9.644,1058 1.822,1059 15.851,1060 7.58,1061 12.427,1062 -0.623,1063 15.325,1064 -1.21,1065 9.321,1066 11.284,1067 2.731,1068 18.206,1069 8.827,1070 2.944,1071 -0.908,1072 17.061,1073 -1.526,1074 10.138,1075 12.254,1076 2.383,1077 20.255,1078 9.567,1079 2.66,1080 9.317,1081 18.809,1082 -2.327,1083 11.303,1084 13.761,1085 3.117,1086 22.527,1087 10.684,1088 2.449,1089 7.505,1090 20.567,1091 3.659,1092 12.235,1093 14.854,1094 2.959,1095 24.667,1096 11.541,1097 2.056,1098 7.12,1099 22.333,1100 3.615,1101 13.341,1102 16.283,1103 3.561,1104 26.908,1105 12.593,1106 1.879,1107 5.504,1108 24.107,1109 2.748,1110 14.334,1111 17.449,1112 3.538,1113 29.093,1114 13.513,1115 1.724,1116 5.187,1117 25.886,1118 2.582,1119 15.414,1120 18.83,1121 4.046,1122 31.323,1123 14.534,1124 1.208,1125 4.226,1126 27.671,1127 2.498,1128 16.441,1129 20.041,1130 4.115,1131 33.53,1132 15.489,1133 5039,1134 8974,1135 16.296,1136 26.12,1137 35.498,1138 36.535,1139 35.538,1140 35.333,1141 35.219,1142 43.198,1143 9.494,1144 95.439,1145 32.652,1146 5.256,1147 5.564,1148 6.002,1149 4.981,1150 4.944,1151 6.659,1152 2.44,1153 15.563,1154 4.751,1155 8.284,1156 1.479,1157 1.522,1158 1.481,1159 1.472,1160 1.467,1161 1.8,1162 0.396,1163 3.977,1164 1.36,1165 3.95,1166 3.993,1167 4.004,1168 3.871,1169 7.43,1170 3.864,1171 3.863,1172 3.901,1173 3.841,1174 3.682,1175 4.945,1176 3.711,1177 3.652,1178 3.706,1179 3.557,1180 3.417,1181 4.79,1182 3.441,1183 3.304,1184 3.369,1185 3.386,1186 3.119,1187 4.591,1188 3.122,1189 3.111,1190 3.206,1191 3.101,1192 2.941,1193 4.34,1194 2.91,1195 2.945,1196 3.003,1197 2.877,1198 2.794,1199 4.038,1200 2.769,1201 2.885,1202 2.922,1203 2.866,1204 2.698,1205 3.753,1206 2.711,1207 2.868,1208 2.918,1209 2.764,1210 2.59,1211 3.499,1212 2.657,1213 0.177,1214 0.149,1215 0.258,1216 0.162,1217 0.123,1218 4.256,1219 0.152,1220 3.564,1221 0.055,1222 6.2,1223 0.388,1224 3.877,1225 0.115,1226 2.944,1227 3.659,1228 1.321,1229 9.317,1230 2.751,1231 1.907,1232 1.882,1233 2.009,1234 2.036,1235 1.207,1236 2.021,1237 1.783,1238 1.734,1239 1.941,1240 1.97,1241 1.151,1242 1.975,1243 1.564,1244 1.512,1245 1.715,1246 1.82,1247 0.825,1248 1.795,1249 1.258,1250 1.194,1251 1.513,1252 1.49,1253 0.752,1254 1.494,1255 1.153,1256 1.064,1257 1.49,1258 1.376,1259 0.63,1260 1.429,1261 0.868,1262 0.824,1263 1.105,1264 1.162,1265 0.224,1266 1.136,1267 0.837,1268 0.77,1269 1.077,1270 1.041,1271 0.164,1272 1.06,1273 0.752,1274 0.708,1275 0.997,1276 1.001,1277 0.071,1278 1.012,1279 3.892,1281 5.176,1283 6.653,1285 8.215,1287 9.82,1290 5.959,1295 3.323,1296 5.828,1297 5.315,1300 2.045,1305 25.03,1306 68.04,1307 147.302,1308 176.131,1309 184.131,1310 184.131,1311 184.131,1312 31.236,1313 6.721,1314 70.25,1315 70.25,1316 18,1317 12.017,1318 3.322,1319 2.807,1320 34.512,1321 75,1322 66,1323 0.222,1324 158.414,1325 281.03,1326 378.289,1327 7009,1328 2.6,1329 15.364,1330 0.698,1331 0.58,1332 15.864,1333 12.767,1334 10.704,1335 0.446,1336 0.313,1337 7.026,1338 9.89,1339 6.89,1340 5.642,1341 10.992,1342 7.508,1343 9.552,1344 0.298,1345 0.171,1346 9.96,1347 5.472,1348 7.422,1349 0.19,1350 0.094,1351 7.684,1352 3.647,1353 6.322,1354 0.126,1355 0.051,1356 6.591,1357 2.529,1358 5.012,1359 0.082,1360 0.027,1361 5.189,1362 1.627,1363 0.348,1364 70.819,1365 0.248,1366 21.877,1367 0.607,1368 112,1369 361.63,1370 141.077,1371 371.887,1372 490.88,1373 348,1374 127,1375 327.713,1376 149.848,1377 338.053,1378 491.89,1379 318,1380 5.102}
{0 CHEMBL2158439,1 1.745,2 9.364,3 2.127,4 4.525,5 84.581,6 8.226,7 0.25,8 3.784,9 3.905,10 3.431,11 3.274,12 4.873,13 3.274,14 4.331,15 4.504,16 3.784,17 3.649,18 5.439,19 3.62,20 4.559,21 4.772,22 3.82,23 3.772,24 5.574,25 3.701,26 4.516,27 4.746,28 3.694,29 3.685,30 5.587,31 3.579,32 4.447,33 4.694,34 3.564,35 3.574,36 5.437,37 3.492,38 4.367,39 4.579,40 3.607,41 3.455,42 5.529,43 3.429,44 4.284,45 4.507,46 3.484,47 3.41,48 5.458,49 3.341,50 4.152,51 4.391,52 3.404,53 3.319,54 5.25,55 3.22,56 0.076,57 0.592,58 7.202,59 3.192,60 6.108,61 4.146,62 0.374,63 0.912,64 15.418,65 5.476,66 24.08,67 7.109,68 0.465,69 1.039,70 23.034,71 6.845,72 35.493,73 9.322,74 0.521,75 0.969,76 25.294,77 6.905,78 43.315,79 9.818,80 0.379,81 0.898,82 22.111,83 6.271,84 34.988,85 8.996,86 0.483,87 0.819,88 18.882,89 4.676,90 48.056,91 6.401,92 0.535,93 0.718,94 18.607,95 5.022,96 48.608,97 6.812,98 0.356,99 0.602,100 17.5,101 5.308,102 37.64,103 7.194,104 5,105 32,106 0.314,107 0.68,108 0.804,109 0.841,110 0.85,111 0.85,112 3.146,113 0.939,114 -4.16,115 -4.11,116 -3.88,119 38.5,125 5,135 1,139 1,142 4,143 1,144 1,158 1,159 1,172 4,174 1,175 3,178 3,179 1,180 2,183 6,186 1,192 1,195 4,198 2,199 1,202 3,204 5,207 1,211 1,212 2,217 2,224 5,229 3,232 1,236 1,237 3,240 2,242 1,245 1,250 6,258 3,263 3,271 1,275 648,276 14.999,277 14.999,278 14.999,279 14.999,280 14.999,281 13.65,282 19.53,283 9.12,284 15.528,285 11.882,286 11.882,287 11.882,288 11.882,289 11.882,290 9.789,291 23.91,292 4.378,293 12.772,294 3.541,295 1.508,296 0.821,297 0.615,298 0.564,299 0.564,300 3.831,301 1,303 1,304 1,305 1,306 442,307 2.236,311 216.685,318 1.455,319 21.901,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.333,331 206,332 4.258,333 3.565,334 6.201,335 3.879,336 2.946,337 3.777,338 1.321,339 9.318,340 2.752,341 4.156,342 3.206,343 6.023,344 3.734,345 2.793,346 3.623,347 0.986,348 8.557,349 2.607,350 3.627,351 3.122,352 5.433,353 3.38,354 2.451,355 2.735,356 0.86,357 7.172,358 2.277,359 3.412,360 2.806,361 4.797,362 2.966,363 1.992,364 2.557,365 0.845,366 5.428,367 1.913,368 2.928,369 2.299,370 4.348,371 2.636,372 1.728,373 2.086,374 0.56,375 4.235,376 1.561,377 2.887,378 2.052,379 4.196,380 2.485,381 1.515,382 1.979,383 0.175,384 3.866,385 1.47,386 2.843,387 1.576,388 3.604,389 2.342,390 1.414,391 1.88,393 2.984,394 1.234,395 2.216,396 1.509,397 3.491,398 1.956,399 1.077,400 1.161,402 2.613,403 0.946,404 2,405 1.256,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.94,413 1.894,414 0.926,415 3.187,416 1.588,417 0.652,418 0.764,420 1.528,421 0.603,422 1.239,423 0.713,424 2.58,425 0.741,426 -0.13,427 -0.151,428 -0.296,429 -0.094,430 1.064,431 0.409,432 2.501,433 0.623,434 -0.386,435 -0.498,436 -0.985,437 -0.375,438 0.677,439 -0.198,440 2.122,441 0.415,442 -0.512,443 -0.608,445 -1.292,446 -0.456,447 0.613,448 -0.261,449 2,450 0.221,451 -0.709,452 -0.841,454 -1.691,455 -0.645,456 0.29,457 -0.36,458 1.769,459 0.043,460 -0.914,461 -1,463 -2.258,464 -0.846,465 10.481,466 0.476,467 0.452,468 0.021,469 25.75,470 1.17,471 10.5,472 0.477,473 15.25,474 0.693,475 17.068,476 0.776,477 24.319,478 0.624,479 17.893,480 0.813,481 5.441,482 0.247,483 5.28,484 0.24,485 0.1,487 0.277,493 0.816,494 1.549,495 0.616,496 1.077,497 0.586,498 0.943,499 0.984,500 1.003,501 0.765,502 0.881,503 0.622,504 0.921,505 1.138,506 1.11,507 0.96,508 0.902,509 0.996,510 0.958,511 0.702,512 1.045,513 1.191,514 1.16,515 0.745,516 1.146,517 0.87,518 1.088,519 0.865,520 0.965,521 0.951,522 0.931,523 1.5,524 1.088,525 0.897,526 0.897,527 1.946,528 0.935,529 1.181,530 0.798,531 0.993,532 0.779,533 1.549,534 0.883,535 0.783,536 0.799,537 0.738,538 0.888,539 0.853,540 0.849,541 4,542 0.033,543 2,544 1.125,545 0.987,546 0.597,547 0.206,548 0.299,549 0.177,550 0.064,551 5154,552 15738,553 2.097,554 43.6,556 15,559 2,564 1.644,565 2,566 3.222,567 0.393,568 1,569 1,571 1,573 68.04,574 1.745,575 3.777,576 4.465,577 4.67,578 4.721,579 4.721,580 2.681,581 3.754,582 4.434,583 3.361,584 776.359,585 7.611,586 8661.85,587 1,588 1,590 1,591 206.131,592 1.241,593 4.407,594 0.167,595 0.003,596 0.063,597 0.036,598 0.038,599 0.024,600 0.009,601 0.014,602 0.01,603 0.005,604 0.368,605 0.33,606 1,607 0.517,608 101.668,609 -0.086,610 -0.294,611 0.024,612 -0.1,613 -0.04,614 -0.02,615 -0.004,616 0.14,617 -0.01,618 0.046,619 0.056,620 -0.017,621 -0.166,622 -0.08,623 -0.05,624 0.042,625 -0.114,626 -0.016,627 0.14,628 -0.034,629 -0.124,630 -0.19,631 0.077,632 -0.174,633 -0.018,634 -0.116,635 0.027,636 -0.029,637 -0.041,638 0.043,639 -0.239,640 -0.059,641 -0.061,642 -0.034,643 -0.257,644 -0.064,645 0.016,646 0.18,647 -0.039,648 0.141,649 -0.033,650 0.039,651 0.162,652 0.081,653 0.254,654 0.128,655 0.244,656 0.183,657 1.849,658 4.812,659 0.818,660 16.959,661 1.015,662 1.135,663 2.932,664 8.596,665 0.67,666 3.219,667 3.497,668 3.714,669 3.932,670 4.127,671 4.06,672 4.127,673 4.19,674 4.248,675 4.234,676 5.66,677 0.642,678 320.81,679 3.219,680 4.727,681 5.549,682 6.399,683 7.235,684 8.089,685 8.93,686 9.786,687 10.63,688 11.487,689 10.3,691 1,692 1,696 1,698 1,704 4,709 2,711 6,730 1,731 39,733 9,734 1,735 24,737 41,738 15,739 6,740 2,741 4,742 4,746 3,747 3,748 1,750 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 17,782 6,783 2,784 7,785 1,790 4,794 1,795 2,812 3,826 1,831 1,835 1,836 1,839 1,840 3,845 1,848 22,854 5,855 2,856 1,859 1,869 1,870 5.1,873 1,874 1,877 11,878 6.793,879 4.889,880 2.261,881 1.752,882 1.261,883 0.979,884 4.976,885 8.474,886 3.434,887 3.922,888 4.366,889 4.811,890 5.218,891 5.194,892 5.274,893 5.507,894 5.809,895 6.04,896 1,897 31,898 8.117,900 3.394,901 7.793,902 15.446,904 12.387,905 2.293,906 50.444,910 176.567,911 78.501,912 55.931,913 39.149,914 36.145,917 78.501,918 251.86,919 55.931,921 33.513,922 65.392,923 40.849,924 28.924,925 1.899,926 176.567,927 39.149,928 176.567,929 134.432,930 36.145,931 39.149,933 176.567,934 25.145,935 11,937 71.433,938 53.523,939 48.625,941 176.567,942 92.076,943 117.65,946 176.567,947 31.12,948 50.506,949 36.022,950 92.079,951 176.567,952 92.076,953 117.65,955 0.57,956 0.325,957 0.175,958 0.095,959 15,960 6,961 0.098,962 4,964 1,965 3.515,966 165.948,968 18,969 94.107,974 15.342,975 7.135,976 4.014,978 92.076,979 7.562,984 1.63,986 36.022,987 386.292,988 30,993 11.812,995 1.506,996 4.463,997 0.917,999 39.571,1000 44.262,1001 0.33,1002 0.715,1003 0.845,1004 0.884,1005 0.893,1006 0.893,1007 4.659,1008 1.077,1009 5.501,1010 2.984,1011 4.174,1012 4.605,1013 2.235,1014 6.24,1015 4.037,1016 5.818,1017 1,1018 7.011,1019 2.613,1020 3.611,1021 4.248,1022 0.81,1023 6.969,1024 3.384,1025 7.094,1026 0.652,1027 8.62,1028 2.136,1029 5.694,1030 6.628,1031 2.244,1032 10.044,1033 5.429,1034 8.4,1035 -0.13,1036 10.288,1037 1.528,1038 5.943,1039 7.065,1040 1.296,1041 11.603,1042 5.579,1043 9.738,1044 -0.386,1045 11.993,1046 -0.296,1047 7.478,1048 8.932,1049 2.43,1050 14.158,1051 7.08,1052 11.097,1053 -0.512,1054 13.725,1055 -0.985,1056 8.128,1057 9.758,1058 1.822,1059 16.069,1060 7.632,1061 12.472,1062 -0.709,1063 15.475,1064 -1.292,1065 9.411,1066 11.385,1067 2.731,1068 18.42,1069 8.874,1070 2.946,1071 -0.914,1072 17.239,1073 -1.691,1074 10.264,1075 12.418,1076 2.383,1077 20.491,1078 9.635,1079 2.793,1080 9.318,1081 19.012,1082 -2.258,1083 11.427,1084 13.916,1085 3.117,1086 22.758,1087 10.75,1088 2.451,1089 8.557,1090 20.793,1091 3.777,1092 12.384,1093 15.065,1094 2.959,1095 24.903,1096 11.621,1097 1.992,1098 7.172,1099 22.58,1100 3.623,1101 13.49,1102 16.491,1103 3.561,1104 27.137,1105 12.673,1106 1.728,1107 5.428,1108 24.372,1109 2.735,1110 14.499,1111 17.706,1112 3.538,1113 29.318,1114 13.602,1115 1.515,1116 4.235,1117 26.167,1118 2.557,1119 15.58,1120 19.089,1121 4.046,1122 31.539,1123 14.624,1124 1.414,1125 3.866,1126 27.965,1127 2.086,1128 16.616,1129 20.343,1130 4.115,1131 33.737,1132 15.585,1133 4976,1134 8799,1135 16.296,1136 26.12,1137 35.443,1138 36.47,1139 35.72,1140 35.254,1141 35.136,1142 43.122,1143 9.494,1144 95.673,1145 32.604,1146 5.258,1147 5.565,1148 6.003,1149 4.983,1150 4.946,1151 6.777,1152 2.44,1153 15.567,1154 4.752,1155 8.148,1156 1.477,1157 1.52,1158 1.488,1159 1.469,1160 1.464,1161 1.797,1162 0.396,1163 3.986,1164 1.359,1165 3.951,1166 3.993,1167 4.014,1168 3.873,1169 7.43,1170 3.865,1171 3.863,1172 3.901,1173 3.838,1174 3.682,1175 4.94,1176 3.71,1177 3.652,1178 3.706,1179 3.551,1180 3.416,1181 4.785,1182 3.44,1183 3.3,1184 3.37,1185 3.305,1186 3.107,1187 4.59,1188 3.112,1189 3.111,1190 3.206,1191 3.183,1192 2.941,1193 4.344,1194 2.91,1195 2.945,1196 3.003,1197 2.878,1198 2.8,1199 4.065,1200 2.773,1201 2.885,1202 2.922,1203 2.866,1204 2.698,1205 3.757,1206 2.711,1207 2.868,1208 2.918,1209 2.77,1210 2.59,1211 3.525,1212 2.657,1213 0.177,1214 0.149,1215 0.258,1216 0.162,1217 0.123,1218 4.258,1219 0.157,1220 3.565,1221 0.055,1222 6.201,1223 0.388,1224 3.879,1225 0.115,1226 2.946,1227 3.777,1228 1.321,1229 9.318,1230 2.752,1231 1.907,1232 1.882,1233 2.007,1234 2.035,1235 1.207,1236 2.02,1237 1.783,1238 1.734,1239 1.941,1240 1.97,1241 1.152,1242 1.975,1243 1.564,1244 1.512,1245 1.718,1246 1.821,1247 0.825,1248 1.796,1249 1.261,1250 1.193,1251 1.513,1252 1.497,1253 0.755,1254 1.501,1255 1.153,1256 1.064,1257 1.504,1258 1.376,1259 0.635,1260 1.429,1261 0.869,1262 0.824,1263 1.119,1264 1.162,1265 0.224,1266 1.136,1267 0.836,1268 0.77,1269 1.085,1270 1.042,1271 0.173,1272 1.066,1273 0.751,1274 0.709,1275 0.982,1276 1.004,1277 0.059,1278 1.007,1279 3.892,1281 5.176,1283 6.661,1285 8.232,1287 9.846,1290 6.12,1295 3.268,1296 5.811,1297 5.315,1300 2.041,1305 25.03,1306 68.04,1307 147.302,1308 174.131,1309 182.131,1310 184.131,1311 184.131,1312 31.847,1313 6.721,1314 70.25,1315 70.25,1316 18,1317 12.042,1318 3.322,1319 2.807,1320 34.482,1321 74,1322 64,1323 0.226,1324 158.414,1325 281.03,1326 378.289,1327 7009,1328 2.6,1329 15.364,1330 0.698,1331 0.58,1332 15.864,1333 12.767,1334 10.72,1335 0.447,1336 0.313,1337 7.032,1338 9.923,1339 6.899,1340 5.648,1341 11.009,1342 7.514,1343 9.436,1344 0.295,1345 0.169,1346 9.806,1347 5.404,1348 7.628,1349 0.191,1350 0.096,1351 8.008,1352 3.836,1353 6.301,1354 0.126,1355 0.05,1356 6.569,1357 2.506,1358 5.005,1359 0.082,1360 0.027,1361 5.184,1362 1.627,1363 0.353,1364 70.92,1365 0.248,1366 21.814,1367 0.62,1368 112,1369 361.63,1370 141.077,1371 371.669,1372 491.44,1373 348,1374 128,1375 328.713,1376 152.799,1377 338.752,1378 494.69,1379 319,1380 5.312}
{0 CHEMBL2158440,1 1.834,2 9.478,3 2.792,4 7.792,5 89.385,6 9.109,7 0.24,8 3.792,9 3.903,10 3.52,11 3.306,12 4.9,13 3.305,14 4.339,15 4.503,16 3.906,17 3.692,18 5.484,19 3.663,20 4.572,21 4.77,22 3.948,23 3.825,24 5.634,25 3.751,26 4.526,27 4.745,28 3.832,29 3.735,30 5.624,31 3.63,32 4.464,33 4.692,34 3.863,35 3.635,36 5.544,37 3.551,38 4.375,39 4.578,40 3.688,41 3.492,42 5.555,43 3.463,44 4.295,45 4.505,46 3.671,47 3.445,48 5.523,49 3.384,50 4.167,51 4.388,52 3.586,53 3.391,54 5.301,55 3.293,56 0.114,57 0.582,58 5.835,59 3.171,60 7.899,61 3.839,62 0.427,63 0.899,64 14.016,65 5.584,66 25.114,67 6.751,68 0.58,69 1.021,70 24.287,71 7.321,72 42.83,73 9.068,74 0.593,75 0.958,76 26.149,77 7.32,78 46.792,79 9.713,80 0.543,81 0.887,82 27.98,83 6.858,84 46.439,85 8.998,86 0.565,87 0.814,88 18.864,89 5.105,90 53.902,91 6.155,92 0.628,93 0.707,94 19.069,95 5.236,96 54.588,97 6.654,98 0.429,99 0.587,100 19.067,101 5.707,102 40.728,103 7.233,104 10,105 34,106 0.33,107 0.693,108 0.81,109 0.841,110 0.85,111 0.85,112 3.188,113 0.959,114 -4.41,115 -4.34,116 -4.09,119 38.5,125 5,135 1,139 1,142 3,143 1,144 2,158 1,159 1,172 2,174 1,175 3,178 3,179 1,180 2,183 6,186 1,192 1,195 6,198 2,199 1,202 3,204 4,211 1,212 2,217 3,220 1,224 4,229 2,232 1,236 1,237 4,240 2,242 2,245 1,250 4,258 2,263 5,271 2,275 728,276 15.447,277 15.447,278 15.447,279 15.447,280 15.447,281 14.073,282 21.132,283 9.257,284 16.112,285 12.365,286 12.365,287 12.365,288 12.365,289 12.365,290 10.199,291 25.522,292 4.456,293 13.522,294 3.451,295 1.435,296 0.789,297 0.615,298 0.564,299 0.564,300 3.87,301 2,303 1,304 1,305 1,306 465,307 2.345,311 228.377,318 1.501,319 25.559,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.667,331 218,332 4.266,333 3.565,334 6.201,335 3.881,336 2.948,337 3.882,338 1.321,339 9.319,340 2.753,341 4.219,342 3.262,343 6.065,344 3.787,345 2.852,346 3.625,347 0.986,348 8.744,349 2.636,350 3.631,351 3.124,352 5.434,353 3.383,354 2.455,355 2.779,356 0.86,357 7.177,358 2.278,359 3.453,360 2.822,361 4.919,362 3.008,363 2.108,364 2.713,365 0.845,366 5.678,367 1.925,368 3.399,369 2.756,370 4.796,371 2.903,372 1.976,373 2.554,374 0.56,375 5.416,376 1.692,377 2.912,378 2.299,379 4.348,380 2.634,381 1.727,382 2.019,383 0.175,384 4.236,385 1.553,386 2.868,387 2.03,388 4.225,389 2.446,390 1.51,391 1.88,393 3.932,394 1.344,395 2.216,396 1.541,397 3.492,398 1.956,399 1.077,400 1.161,402 2.614,403 0.946,404 2,405 1.256,406 3.247,407 1.952,408 1,409 1,411 2.136,412 0.94,413 1.905,414 0.935,415 3.241,416 1.591,417 0.659,418 0.775,420 1.58,421 0.604,422 1.362,423 0.832,424 2.641,425 0.882,426 0.105,427 0.122,428 0.23,429 0.065,430 1.181,431 0.708,432 2.546,433 0.635,434 -0.377,435 -0.479,436 -0.973,437 -0.355,438 0.753,439 0.035,440 2.367,441 0.47,442 -0.443,443 -0.517,445 -1.211,446 -0.386,447 0.619,448 -0.204,449 2.21,450 0.327,451 -0.621,452 -0.751,454 -1.53,455 -0.514,456 0.316,457 -0.308,458 1.953,459 0.045,460 -0.901,461 -1,463 -2.254,464 -0.657,465 11.195,466 0.487,467 0.558,468 0.024,469 26.5,470 1.152,471 10.5,472 0.457,473 16,474 0.696,475 19.181,476 0.834,477 25.405,478 0.651,479 18.652,480 0.811,481 5.513,482 0.24,483 5.601,484 0.244,485 0.157,487 0.304,493 0.788,494 1.546,495 0.541,496 0.972,497 0.578,498 0.881,499 0.947,500 0.991,501 0.665,502 0.782,503 0.594,504 0.852,505 1.157,506 1.107,507 0.975,508 0.894,509 1.012,510 0.963,511 0.728,512 1.039,513 1.067,514 1.096,515 0.768,516 1.118,517 0.804,518 1.107,519 0.781,520 0.972,521 0.904,522 0.95,523 1.424,524 1.09,525 0.835,526 0.872,527 1.849,528 0.935,529 1.008,530 0.822,531 0.814,532 0.781,533 1.393,534 0.859,535 0.844,536 0.783,537 0.788,538 0.842,539 0.915,540 0.817,541 5,542 0.066,543 2.222,544 1.313,545 1.258,546 0.597,547 0.287,548 0.299,549 0.222,550 0.12,551 5739,552 20047,553 2.067,554 41,556 14,559 2,564 1.657,565 1.944,566 3.253,567 0.407,568 1,569 1,571 1,573 71.527,574 1.834,575 3.85,576 4.497,577 4.67,578 4.721,579 4.721,580 2.703,581 4.002,582 4.499,583 3.401,584 860.44,585 7.742,586 9940.99,587 1,588 1,589 1,590 1,591 206.131,592 1.371,593 4.458,594 0.2,595 0.006,596 0.065,597 0.04,598 0.045,599 0.022,600 0.011,601 0.013,602 0.011,603 0.007,604 0.42,605 0.17,606 1,607 0.58,608 108.056,609 -0.098,610 -0.292,611 0.009,612 -0.083,613 -0.045,614 -0.017,615 -0.032,616 0.156,617 0.013,618 0.101,619 0.068,620 0.024,621 -0.207,622 -0.075,623 -0.092,624 0.039,625 -0.136,626 -0.029,627 0.094,628 -0.023,629 -0.101,630 -0.146,631 0.04,632 -0.149,633 0.065,634 -0.134,635 0.134,636 -0.028,637 0.012,638 0.032,639 -0.269,640 -0.052,641 -0.08,642 -0.018,643 -0.288,644 -0.067,645 0.109,646 0.163,647 0.05,648 0.13,649 0.026,650 0.066,651 0.111,652 0.096,653 0.207,654 0.18,655 0.173,656 0.228,657 1.874,658 4.845,659 0.783,660 17.898,661 1.023,662 1.133,663 3.175,664 10.081,665 0.692,666 3.258,667 3.555,668 3.761,669 3.989,670 4.205,671 4.127,672 4.174,673 4.234,674 4.331,675 4.317,676 5.83,677 0.663,678 355.25,679 3.258,680 4.779,681 5.602,682 6.46,683 7.299,684 8.159,685 9.004,686 9.864,687 10.712,688 11.572,689 10.3,691 1,692 1,696 1,698 1,704 3,709 3,711 6,730 2,731 39,733 9,734 1,735 25,737 41,738 15,739 6,740 3,741 3,742 4,746 3,747 3,748 2,750 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 16,782 6,783 2,784 8,785 2,790 4,794 1,795 2,812 3,826 1,831 1,835 1,836 1,839 1,840 3,845 2,848 23,854 5,855 2,856 1,859 1,869 2,870 5.1,873 1,874 1,877 11.833,878 6.852,879 5.056,880 2.241,881 1.776,882 1.26,883 0.978,884 5.429,885 8.598,886 3.466,887 3.98,888 4.422,889 4.882,890 5.317,891 5.312,892 5.333,893 5.554,894 5.91,895 6.126,896 1,897 33,898 8.476,900 3.565,901 7.857,902 16.007,904 12.865,905 2.357,906 54.222,910 164.795,911 72.525,912 55.931,913 78.297,914 36.145,917 72.525,918 279.238,919 55.931,921 33.513,922 55.916,923 40.849,924 32.425,925 1.899,926 164.795,927 78.297,928 164.795,929 128.457,930 36.145,931 78.297,933 164.795,934 25.145,935 11,937 71.433,938 47.547,939 87.774,941 164.795,942 92.076,943 150.823,946 164.795,947 34.62,948 41.029,949 36.022,950 131.228,951 164.795,952 92.076,953 150.823,955 0.577,956 0.325,957 0.174,958 0.1,959 16,960 7,961 0.098,962 4,964 1,965 3.565,966 177.327,968 18,969 100.042,974 16.58,975 7.531,976 4.382,978 92.076,979 5.245,984 2.043,986 36.022,987 407.694,988 31,993 11.845,995 1.489,996 4.452,997 0.827,999 39.894,1000 44.206,1001 0.347,1002 0.728,1003 0.851,1004 0.884,1005 0.893,1006 0.893,1007 4.705,1008 1.077,1009 5.572,1010 3.932,1011 4.234,1012 4.663,1013 2.235,1014 6.323,1015 4.065,1016 5.881,1017 1,1018 7.093,1019 2.614,1020 3.761,1021 4.425,1022 0.81,1023 7.066,1024 3.462,1025 7.17,1026 0.659,1027 8.707,1028 2.136,1029 5.771,1030 6.719,1031 2.244,1032 10.128,1033 5.462,1034 8.486,1035 0.105,1036 10.376,1037 1.58,1038 6.066,1039 7.236,1040 1.296,1041 11.67,1042 5.635,1043 9.831,1044 -0.377,1045 12.08,1046 0.23,1047 7.562,1048 9.049,1049 2.43,1050 14.233,1051 7.115,1052 11.195,1053 -0.443,1054 13.808,1055 -0.973,1056 8.234,1057 9.934,1058 1.822,1059 16.131,1060 7.679,1061 12.574,1062 -0.621,1063 15.553,1064 -1.211,1065 9.498,1066 11.528,1067 2.731,1068 18.492,1069 8.911,1070 2.948,1071 -0.901,1072 17.311,1073 -1.53,1074 10.365,1075 12.611,1076 2.383,1077 20.557,1078 9.681,1079 2.852,1080 9.319,1081 19.08,1082 -2.254,1083 11.52,1084 14.093,1085 3.117,1086 22.832,1087 10.792,1088 2.455,1089 8.744,1090 20.857,1091 3.882,1092 12.486,1093 15.285,1094 2.959,1095 24.975,1096 11.67,1097 2.108,1098 7.177,1099 22.641,1100 3.625,1101 13.591,1102 16.708,1103 3.561,1104 27.214,1105 12.72,1106 1.976,1107 5.678,1108 24.43,1109 2.779,1110 14.607,1111 17.962,1112 3.538,1113 29.394,1114 13.655,1115 1.727,1116 5.416,1117 26.223,1118 2.713,1119 15.69,1120 19.351,1121 4.046,1122 31.618,1123 14.677,1124 1.51,1125 4.236,1126 28.02,1127 2.554,1128 16.731,1129 20.641,1130 4.115,1131 33.817,1132 15.641,1133 5570,1134 10528,1135 16.701,1136 26.977,1137 37.178,1138 38.722,1139 37.535,1140 36.921,1141 36.836,1142 45.02,1143 9.494,1144 102.12,1145 33.472,1146 5.266,1147 5.565,1148 6.003,1149 4.985,1150 4.948,1151 6.882,1152 2.44,1153 15.571,1154 4.753,1155 10.397,1156 1.487,1157 1.549,1158 1.501,1159 1.477,1160 1.473,1161 1.801,1162 0.38,1163 4.085,1164 1.339,1165 3.954,1166 3.992,1167 4.089,1168 3.887,1169 7.43,1170 3.878,1171 3.865,1172 3.901,1173 3.842,1174 3.683,1175 5.011,1176 3.712,1177 3.652,1178 3.706,1179 3.637,1180 3.417,1181 4.79,1182 3.441,1183 3.304,1184 3.369,1185 3.551,1186 3.12,1187 4.666,1188 3.122,1189 3.111,1190 3.206,1191 3.219,1192 2.941,1193 4.59,1194 2.91,1195 2.945,1196 3.003,1197 2.884,1198 2.855,1199 4.096,1200 2.824,1201 2.91,1202 2.921,1203 2.866,1204 2.699,1205 3.911,1206 2.711,1207 2.87,1208 2.915,1209 2.851,1210 2.59,1211 3.75,1212 2.657,1213 0.171,1214 0.143,1215 0.248,1216 0.155,1217 0.118,1218 4.266,1219 0.155,1220 3.565,1221 0.053,1222 6.201,1223 0.373,1224 3.881,1225 0.11,1226 2.948,1227 3.882,1228 1.321,1229 9.319,1230 2.753,1231 1.901,1232 1.883,1233 1.972,1234 2.033,1235 1.207,1236 2.014,1237 1.783,1238 1.734,1239 1.937,1240 1.958,1241 1.152,1242 1.966,1243 1.563,1244 1.512,1245 1.712,1246 1.818,1247 0.825,1248 1.794,1249 1.258,1250 1.194,1251 1.513,1252 1.489,1253 0.751,1254 1.493,1255 1.153,1256 1.064,1257 1.489,1258 1.376,1259 0.629,1260 1.429,1261 0.856,1262 0.827,1263 1.101,1264 1.162,1265 0.224,1266 1.136,1267 0.829,1268 0.771,1269 1.054,1270 1.04,1271 0.136,1272 1.044,1273 0.75,1274 0.709,1275 0.951,1276 0.951,1277 0.037,1278 0.973,1279 3.932,1281 5.231,1283 6.723,1285 8.301,1287 9.922,1290 12.106,1295 3.117,1296 5.761,1297 5.313,1300 2.024,1305 25.858,1306 71.527,1307 150.157,1308 175.376,1309 182.131,1310 184.131,1311 184.131,1312 36.59,1313 6.822,1314 70.25,1315 70.25,1316 18,1317 12.124,1318 3.322,1319 2.807,1320 36.845,1321 80,1322 70,1323 0.223,1324 166.746,1325 296.24,1326 398.621,1327 7944,1328 5.1,1329 16.234,1330 0.706,1331 0.601,1332 17.234,1333 13.824,1334 11.114,1335 0.445,1336 0.32,1337 7.161,1338 10.008,1339 6.992,1340 5.698,1341 11.692,1342 7.991,1343 10.069,1344 0.296,1345 0.176,1346 10.848,1347 5.985,1348 7.964,1349 0.19,1350 0.098,1351 8.606,1352 4.121,1353 6.531,1354 0.123,1355 0.051,1356 7.001,1357 2.72,1358 5.41,1359 0.082,1360 0.029,1361 6.099,1362 1.922,1363 0.349,1364 76.459,1365 0.245,1366 22.645,1367 0.612,1368 118,1369 395.834,1370 162.596,1371 433.827,1372 562.81,1373 404,1374 135,1375 355.576,1376 169.558,1377 375.399,1378 548.24,1379 353,1380 5.345}
{0 CHEMBL2158441,1 1.834,2 9.435,3 2.792,4 7.792,5 89.385,6 9.109,7 0.24,8 3.792,9 3.903,10 3.52,11 3.306,12 4.9,13 3.305,14 4.339,15 4.503,16 3.906,17 3.692,18 5.479,19 3.663,20 4.572,21 4.77,22 3.997,23 3.836,24 5.631,25 3.766,26 4.538,27 4.743,28 4.018,29 3.768,30 5.71,31 3.66,32 4.458,33 4.692,34 3.655,35 3.615,36 5.478,37 3.53,38 4.376,39 4.577,40 3.774,41 3.489,42 5.59,43 3.469,44 4.298,45 4.505,46 3.652,47 3.476,48 5.499,49 3.405,50 4.169,51 4.388,52 3.692,53 3.382,54 5.41,55 3.299,56 0.114,57 0.582,58 5.835,59 3.171,60 7.903,61 3.839,62 0.427,63 0.899,64 14.016,65 5.584,66 25.048,67 6.751,68 0.571,69 1.018,70 23.63,71 7.321,72 41.788,73 9.066,74 0.677,75 0.947,76 31.782,77 7.539,78 53.588,79 9.741,80 0.485,81 0.89,82 24.396,83 6.786,84 42.033,85 8.993,86 0.592,87 0.808,88 18.712,89 4.99,90 55.413,91 6.139,92 0.604,93 0.705,94 19.588,95 5.424,96 53.037,97 6.679,98 0.483,99 0.585,100 19.167,101 5.633,102 47.843,103 7.216,104 10,105 34,106 0.33,107 0.693,108 0.8,109 0.813,110 0.813,111 0.813,112 3.188,113 0.96,114 -4.41,115 -4.34,116 -4.09,119 38.5,125 5,135 1,139 1,142 3,143 1,144 2,158 1,159 1,172 2,174 1,175 3,178 3,179 1,180 2,183 7,186 1,195 3,198 2,199 1,202 3,204 6,207 3,211 1,212 1,217 1,224 6,229 4,232 1,236 1,237 1,240 2,242 1,250 8,258 4,263 3,271 1,275 719,276 15.499,277 15.499,278 15.499,279 15.499,280 15.499,281 14.098,282 19.787,283 9.277,284 16.139,285 12.349,286 12.349,287 12.349,288 12.349,289 12.349,290 10.176,291 23.221,292 4.422,293 13.471,294 3.451,295 1.435,296 0.84,297 0.769,298 0.769,299 0.769,300 3.87,301 2,303 1,304 1,305 1,306 463,307 2.345,311 226.985,318 1.459,319 25.879,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.667,331 217,332 4.331,333 3.566,334 6.391,335 3.907,336 2.979,337 3.987,338 1.321,339 9.64,340 2.757,341 4.248,342 3.391,343 6.2,344 3.856,345 2.926,346 3.625,347 0.986,348 9.313,349 2.685,350 3.628,351 3.125,352 5.435,353 3.383,354 2.455,355 2.735,356 0.86,357 7.18,358 2.278,359 3.413,360 2.81,361 4.841,362 2.969,363 1.993,364 2.557,365 0.845,366 5.429,367 1.917,368 3.232,369 2.623,370 4.797,371 2.707,372 1.879,373 2.481,374 0.56,375 5.104,376 1.562,377 2.927,378 2.296,379 4.347,380 2.636,381 1.728,382 2.084,383 0.175,384 4.232,385 1.47,386 2.885,387 1.862,388 4.035,389 2.481,390 1.494,391 1.883,393 3.572,394 1.441,395 2.218,396 1.527,397 3.492,398 1.958,399 1.08,400 1.164,402 2.615,403 0.946,404 2.008,405 1.268,406 3.274,407 1.952,408 1,409 1,411 2.136,412 0.941,413 2,414 1.256,415 3.247,416 1.701,417 0.809,418 0.918,420 1.844,421 0.685,422 1.28,423 0.734,424 2.662,425 0.839,430 1.09,431 0.639,432 2.548,433 0.627,434 -0.347,435 -0.445,436 -0.757,437 -0.229,438 1,439 0.173,440 2.352,441 0.473,442 -0.386,443 -0.498,445 -0.988,446 -0.376,447 0.632,448 -0.203,449 2.211,450 0.412,451 -0.526,452 -0.625,454 -1.318,455 -0.483,456 0.302,457 -0.334,458 1.953,459 0.098,460 -0.819,461 -0.893,463 -2.079,464 -0.713,465 11.195,466 0.487,467 0.541,468 0.024,469 26.5,470 1.152,471 10.5,472 0.457,473 16,474 0.696,475 19.374,476 0.842,477 25.405,478 0.651,479 18.664,480 0.811,481 5.529,482 0.24,483 5.602,484 0.244,485 0.157,487 0.304,493 0.788,494 1.546,495 0.541,496 0.972,497 0.576,498 0.881,499 0.947,500 0.991,501 0.665,502 0.782,503 0.606,504 0.852,505 1.141,506 1.097,507 0.918,508 0.834,509 1.005,510 0.909,511 0.729,512 1.056,513 1.149,514 1.176,515 0.765,516 1.168,517 0.901,518 1.093,519 0.891,520 0.978,521 0.975,522 0.963,523 1.294,524 1.114,525 0.738,526 0.888,527 1.755,528 0.912,529 1.185,530 0.785,531 0.962,532 0.739,533 1.536,534 0.852,535 0.624,536 0.805,537 0.658,538 0.885,539 0.653,540 0.794,541 4.5,542 0.05,543 2.444,544 1.563,545 1.098,546 0.708,547 0.206,548 0.352,549 0.246,550 0.104,551 5667,552 19535,553 2.067,554 41,556 14,559 2,564 1.658,565 1.944,566 3.211,567 0.407,568 1,569 1,571 1,573 71.527,574 1.834,575 3.85,576 4.446,577 4.516,578 4.516,579 4.516,580 2.653,581 3.915,582 4.5,583 3.374,584 853.539,585 7.746,586 9821.78,587 1,588 1,589 1,590 1,591 206.131,592 1.371,593 4.458,594 0.18,595 0.004,596 0.072,597 0.046,598 0.038,599 0.027,600 0.008,601 0.015,602 0.012,603 0.007,604 0.409,605 0.17,606 1,607 0.58,608 107.779,609 -0.098,610 -0.292,611 0.009,612 -0.083,613 -0.043,614 -0.017,615 -0.032,616 0.156,617 0.013,618 0.101,619 0.055,620 0.024,621 -0.191,622 -0.064,623 -0.033,624 0.101,625 -0.129,626 0.027,627 0.164,628 -0.047,629 -0.034,630 -0.192,631 0.101,632 -0.197,633 -0.06,634 -0.116,635 -0.032,636 -0.046,637 -0.081,638 0.017,639 -0.136,640 -0.076,641 0.02,642 -0.034,643 -0.191,644 -0.043,645 -0.043,646 0.198,647 -0.037,648 0.189,649 -0.096,650 0.075,651 0.337,652 0.074,653 0.34,654 0.136,655 0.441,656 0.251,657 1.88,658 4.853,659 0.783,660 17.49,661 1.023,662 1.133,663 3.175,664 10.081,665 0.692,666 3.258,667 3.555,668 3.784,669 4.007,670 4.174,671 4.143,672 4.174,673 4.263,674 4.317,675 4.344,676 5.746,677 0.663,678 355.25,679 3.258,680 4.779,681 5.609,682 6.469,683 7.313,684 8.176,685 9.024,686 9.889,687 10.738,688 11.604,689 10.3,691 1,692 1,696 1,698 1,704 3,709 3,711 6,730 2,731 39,733 9,734 1,735 25,737 41,738 15,739 6,740 3,741 3,742 4,746 3,747 3,748 2,750 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 16,782 6,783 2,784 8,785 2,790 4,794 1,795 2,812 3,826 1,831 1,835 1,836 1,839 1,840 3,845 2,848 23,854 5,855 2,856 1,859 1,869 2,870 5.1,873 1,874 1,877 11.833,878 6.852,879 5.083,880 2.248,881 1.802,882 1.264,883 0.978,884 5.429,885 8.624,886 3.466,887 3.98,888 4.44,889 4.893,890 5.279,891 5.323,892 5.334,893 5.589,894 5.875,895 6.159,896 1,897 34,898 8.48,900 3.572,901 7.857,902 16.007,904 12.869,905 2.357,906 54.222,910 164.795,911 72.525,912 55.931,913 78.297,914 36.145,917 72.525,918 279.238,919 55.931,921 33.513,922 55.916,923 40.849,924 32.425,925 1.899,926 164.795,927 78.297,928 164.795,929 128.457,930 36.145,931 78.297,933 164.795,934 25.145,935 11,937 71.433,938 47.547,939 87.774,941 164.795,942 92.076,943 150.823,946 164.795,947 34.62,948 41.029,949 36.022,950 131.228,951 164.795,952 92.076,953 150.823,955 0.577,956 0.333,957 0.179,958 0.093,959 16,960 7,961 0.098,962 4,964 1,965 3.547,966 178.323,968 18,969 94.042,974 16.58,975 7.531,976 4.175,978 92.076,979 5.322,984 1.892,986 36.022,987 407.694,988 31,993 11.853,995 1.485,996 4.449,997 0.8,999 39.894,1000 44.206,1001 0.347,1002 0.728,1003 0.841,1004 0.854,1005 0.854,1006 0.854,1007 4.705,1008 1.08,1009 5.58,1010 3.572,1011 4.234,1012 4.663,1013 2.235,1014 6.347,1015 4.065,1016 5.881,1017 1,1018 7.112,1019 2.615,1020 3.761,1021 4.425,1022 0.81,1023 7.154,1024 3.462,1025 7.173,1026 0.809,1027 8.745,1028 2.136,1029 5.784,1030 6.73,1031 2.244,1032 10.235,1033 5.469,1034 8.495,1036 10.436,1037 1.844,1038 6.111,1039 7.284,1040 1.296,1041 11.869,1042 5.663,1043 9.849,1044 -0.347,1045 12.165,1047 7.607,1048 9.094,1049 2.43,1050 14.447,1051 7.14,1052 11.224,1053 -0.386,1054 13.921,1055 -0.757,1056 8.323,1057 10.033,1058 1.822,1059 16.428,1060 7.729,1061 12.617,1062 -0.526,1063 15.696,1064 -0.988,1065 9.588,1066 11.625,1067 2.731,1068 18.815,1069 8.959,1070 2.979,1071 -0.819,1072 17.486,1073 -1.318,1074 10.494,1075 12.762,1076 2.383,1077 20.947,1078 9.75,1079 2.926,1080 9.64,1081 19.286,1082 -2.079,1083 11.655,1084 14.248,1085 3.117,1086 23.255,1087 10.86,1088 2.455,1089 9.313,1090 21.095,1091 3.987,1092 12.653,1093 15.489,1094 2.959,1095 25.453,1096 11.754,1097 1.993,1098 7.18,1099 22.911,1100 3.625,1101 13.769,1102 16.921,1103 3.561,1104 27.729,1105 12.807,1106 1.879,1107 5.429,1108 24.732,1109 2.735,1110 14.81,1111 18.218,1112 3.538,1113 29.957,1114 13.753,1115 1.728,1116 5.104,1117 26.557,1118 2.557,1119 15.906,1120 19.621,1121 4.046,1122 32.219,1123 14.779,1124 1.494,1125 4.232,1126 28.385,1127 2.481,1128 16.968,1129 20.95,1130 4.115,1131 34.461,1132 15.752,1133 5503,1134 10337,1135 16.701,1136 26.977,1137 37.062,1138 38.654,1139 37.712,1140 36.939,1141 36.685,1142 44.866,1143 9.494,1144 102.131,1145 33.363,1146 5.331,1147 5.566,1148 6.193,1149 5.01,1150 4.979,1151 6.987,1152 2.44,1153 16.2,1154 4.757,1155 10.268,1156 1.482,1157 1.546,1158 1.508,1159 1.478,1160 1.467,1161 1.795,1162 0.38,1163 4.085,1164 1.335,1165 3.955,1166 3.992,1167 4.103,1168 3.888,1169 7.43,1170 3.879,1171 3.865,1172 3.901,1173 3.841,1174 3.683,1175 5.014,1176 3.711,1177 3.652,1178 3.706,1179 3.582,1180 3.416,1181 4.788,1182 3.441,1183 3.3,1184 3.37,1185 3.551,1186 3.107,1187 4.632,1188 3.112,1189 3.111,1190 3.206,1191 3.188,1192 2.941,1193 4.59,1194 2.91,1195 2.945,1196 3.003,1197 3.061,1198 2.849,1199 4.115,1200 2.815,1201 2.901,1202 2.919,1203 2.876,1204 2.713,1205 4.061,1206 2.724,1207 2.878,1208 2.918,1209 2.866,1210 2.591,1211 3.717,1212 2.658,1213 0.173,1214 0.143,1215 0.256,1216 0.156,1217 0.119,1218 4.331,1219 0.159,1220 3.566,1221 0.053,1222 6.391,1223 0.386,1224 3.907,1225 0.11,1226 2.979,1227 3.987,1228 1.321,1229 9.64,1230 2.757,1231 1.901,1232 1.883,1233 1.971,1234 2.032,1235 1.207,1236 2.013,1237 1.783,1238 1.734,1239 1.937,1240 1.957,1241 1.152,1242 1.965,1243 1.564,1244 1.512,1245 1.716,1246 1.819,1247 0.825,1248 1.795,1249 1.261,1250 1.193,1251 1.513,1252 1.496,1253 0.754,1254 1.501,1255 1.153,1256 1.064,1257 1.504,1258 1.376,1259 0.635,1260 1.429,1261 0.849,1262 0.827,1263 1.09,1264 1.162,1265 0.224,1266 1.135,1267 0.835,1268 0.771,1269 1,1270 1.024,1271 0.105,1272 1.007,1273 0.75,1274 0.709,1275 0.98,1276 0.962,1277 0.055,1278 1.004,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.95,1290 12.282,1295 3.061,1296 5.744,1297 5.313,1300 2.02,1305 25.858,1306 71.527,1307 150.157,1308 173.376,1309 176.131,1310 176.131,1311 176.131,1312 37.383,1313 6.822,1314 70.25,1315 70.25,1316 18,1317 12.153,1318 3.322,1319 2.807,1320 36.822,1321 79,1322 70,1323 0.226,1324 166.746,1325 296.24,1326 398.621,1327 7944,1328 5.1,1329 16.234,1330 0.706,1331 0.601,1332 17.234,1333 13.824,1334 11.131,1335 0.445,1336 0.32,1337 7.167,1338 10.042,1339 7.001,1340 5.705,1341 11.708,1342 7.997,1343 9.963,1344 0.293,1345 0.174,1346 10.705,1347 5.92,1348 8.082,1349 0.188,1350 0.099,1351 8.799,1352 4.266,1353 6.777,1354 0.125,1355 0.053,1356 7.524,1357 2.887,1358 5.092,1359 0.08,1360 0.027,1361 5.403,1362 1.72,1363 0.353,1364 76.56,1365 0.245,1366 22.584,1367 0.625,1368 118,1369 395.834,1370 162.596,1371 433.625,1372 563.39,1373 404,1374 136,1375 356.576,1376 172.509,1377 376.129,1378 551.36,1379 354,1380 5.471}
{0 CHEMBL2158442,1 1.555,2 10.24,3 2.177,4 4.738,5 96.226,6 7.476,7 0.393,8 3.923,9 4.045,10 3.503,11 3.444,12 4.992,13 3.437,14 4.467,15 4.638,16 3.842,17 3.835,18 5.545,19 3.801,20 4.699,21 4.909,22 3.854,23 3.976,24 5.669,25 3.907,26 4.695,27 4.926,28 3.762,29 3.938,30 5.675,31 3.83,32 4.708,33 4.968,34 3.675,35 3.842,36 5.621,37 3.734,38 4.596,39 4.84,40 3.584,41 3.663,42 5.642,43 3.604,44 4.393,45 4.61,46 3.536,47 3.562,48 5.545,49 3.51,50 4.33,51 4.562,52 3.424,53 3.547,54 5.316,55 3.467,56 0.029,57 0.688,58 9.176,59 3.851,60 5.66,61 5.094,62 0.342,63 1.106,64 17.886,65 6.509,66 26.662,67 8.711,68 0.347,69 1.321,70 23.9,71 8.164,72 29.143,73 11.369,74 0.321,75 1.309,76 23.825,77 8.902,78 32.792,79 12.746,80 0.272,81 1.248,82 25.583,83 8.635,84 33.634,85 12.722,86 0.397,87 1.095,88 23.435,89 6.447,90 47.897,91 9.148,92 0.446,93 0.92,94 18.351,95 5.504,96 46.788,97 7.762,98 0.159,99 0.866,100 16.919,101 5.986,102 22.584,103 8.441,104 2,105 38,106 0.267,107 0.612,108 0.741,109 0.808,110 0.844,111 0.86,112 3.267,113 0.903,114 -4.04,115 -3.99,116 -3.78,119 42.2,125 5,135 1,139 1,142 7,143 3,158 1,159 1,172 11,175 3,178 4,179 1,180 2,183 14,186 1,187 2,195 12,198 3,199 4,202 2,204 1,207 7,212 4,215 1,217 2,220 4,224 3,229 4,232 3,236 2,237 4,240 1,242 5,245 3,250 6,255 4,258 1,263 7,268 3,275 871,276 17.361,277 17.361,278 17.361,279 17.361,280 17.361,281 15.452,282 19.234,283 10.519,284 17.786,285 13.886,286 13.886,287 13.886,288 13.886,289 13.886,290 11.001,291 25.5,292 5.038,293 14.537,294 3.937,295 1.93,296 1.181,297 0.789,298 0.578,299 0.489,300 3.972,303 1,304 1,305 1,306 567,307 2.345,311 277.784,315 106.782,318 1.45,319 19.18,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 256,332 4.495,333 3.61,334 6.506,335 4.031,336 3.034,337 4.431,338 1.663,339 10.197,340 3.027,341 4.219,342 3.134,343 6.2,344 3.873,345 2.938,346 3.554,347 0.944,348 9.316,349 2.742,350 3.693,351 3.088,352 5.445,353 3.395,354 2.465,355 2.947,356 0.868,357 7.205,358 2.286,359 3.512,360 2.769,361 5.194,362 3.127,363 2.139,364 2.765,365 0.86,366 6.236,367 2.111,368 3.38,369 2.321,370 4.788,371 2.911,372 1.93,373 2.557,374 0.381,375 5.388,376 1.879,377 3.118,378 2.224,379 4.347,380 2.632,381 1.725,382 2.427,383 0.191,384 4.229,385 1.618,386 2.927,387 1.618,388 4.164,389 2.618,390 1.618,391 1.922,393 3.797,394 1.555,395 2.769,396 1.587,397 3.6,398 2.275,399 1.276,400 1.899,402 2.851,403 1.275,404 2.396,405 1.299,406 3.493,407 2.017,408 1.09,409 1.358,411 2.619,412 1.01,413 2.223,414 1.256,415 3.406,416 1.952,417 1,418 1.161,420 2.326,421 0.946,422 2,423 1.178,424 3.247,425 1.937,426 1,427 1,428 2.136,429 0.926,430 1.749,431 0.778,432 3.09,433 1.479,434 0.527,435 0.631,436 1.253,437 0.501,438 1.17,439 0.622,440 2.579,441 0.702,442 -0.277,443 -0.372,445 -0.722,446 -0.269,447 1.08,448 0.052,449 2.51,450 0.625,451 -0.39,452 -0.454,454 -0.997,455 -0.385,456 0.882,457 -0.26,458 2.306,459 0.403,460 -0.541,461 -0.631,463 -1.332,464 -0.514,465 11.767,466 0.471,467 0.465,468 0.019,469 31.5,470 1.26,471 14.5,472 0.58,473 17,474 0.68,475 18.633,476 0.745,477 26.633,478 0.592,479 22.637,480 0.905,481 6.613,482 0.265,483 5.679,484 0.227,485 0.028,487 0.289,493 0.845,494 1.383,495 0.772,496 1.095,497 0.607,498 0.942,499 0.988,500 0.964,501 0.964,502 0.933,503 0.639,504 0.945,505 1.133,506 1.013,507 1.073,508 0.936,509 0.979,510 0.98,511 0.491,512 1.05,513 0.986,514 1.148,515 0.573,516 1.145,517 0.729,518 1.074,519 0.885,520 1.018,521 0.852,522 0.977,523 1.705,524 0.936,525 1.148,526 0.812,527 2.036,528 0.868,529 1.227,530 0.925,531 1.061,532 0.856,533 1.645,534 0.911,535 0.946,536 1.057,537 0.908,538 1.009,539 1.004,540 0.96,541 4,542 0.049,543 2.222,544 1.313,545 1.12,546 0.576,547 0.266,548 0.24,549 0.226,550 0.124,551 7718,552 19400,553 2.179,554 44.4,556 18,559 2,564 1.679,565 2.113,566 3.34,567 0.273,568 1,569 1,571 1,573 69.984,574 1.555,575 3.561,576 4.31,577 4.703,578 4.914,579 5.003,580 2.71,581 4.404,582 4.621,583 3.479,584 1043.64,585 7.983,586 12757.2,588 1,590 1,591 247.133,592 1.078,593 4.606,594 0.143,595 0.003,596 0.058,597 0.035,598 0.034,599 0.019,600 0.01,601 0.009,602 0.009,603 0.006,604 0.326,605 0.5,606 1,607 0.372,608 120.867,609 -0.056,610 -0.196,611 0.06,612 -0.063,613 -0.039,614 0.006,615 0.082,616 0.156,617 -0.045,618 0.043,619 0.066,620 -0.019,621 -0.147,622 0.034,623 -0.124,624 0.036,625 -0.114,626 -0.028,627 0.19,628 -0.033,629 -0.055,630 -0.157,631 0.126,632 -0.153,633 0.065,634 -0.125,635 0.101,636 -0.046,637 0.005,638 0.022,639 -0.303,640 0.054,641 -0.098,642 0.085,643 -0.295,644 0.042,645 0.101,646 0.101,647 -0.049,648 0.068,649 0.011,650 0.004,651 -0.047,652 -0.087,653 0.061,654 -0.018,655 0.037,656 0.032,657 1.916,658 4.948,659 0.88,660 19.526,661 1.003,662 1.127,663 2.814,664 7.917,665 0.667,666 3.367,667 3.664,668 3.932,669 4.205,670 4.431,671 4.394,672 4.5,673 4.575,674 4.691,675 4.663,676 6.133,677 0.638,678 336.43,679 3.367,680 4.89,681 5.733,682 6.6,683 7.456,684 8.327,685 9.188,686 10.06,687 10.923,688 11.795,689 8.9,692 1,696 2,698 1,703 2,704 7,709 1,711 11,731 45,733 14,734 2,735 28,737 48,738 19,739 10,740 3,741 7,742 3,746 4,747 5,751 1,761 14,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 20,782 6,783 2,784 6,790 4,791 1,794 0.75,795 2,812 4,816 1,831 1,836 1,839 1,840 3,848 25,854 5,855 2,856 1,859 1,870 4.4,873 1,874 1,877 11.833,878 7.9,879 5.5,880 2.664,881 3.284,882 1.443,883 1.016,884 4.679,885 10.69,886 3.624,887 4.182,888 4.732,889 5.316,890 5.84,891 6.076,892 6.444,893 6.821,894 7.232,895 7.271,896 0.857,897 38,898 9.241,900 3.92,901 7.66,902 17.849,904 14.698,905 2.16,906 54,910 211.88,911 108.575,912 55.931,914 36.145,917 108.575,918 248.025,919 55.931,921 51.523,922 75.81,923 38.473,924 30.569,925 4.276,926 211.88,928 211.88,929 164.506,930 36.145,933 211.88,934 25.145,935 11,937 71.433,938 83.597,939 9.476,941 211.88,942 92.076,943 108.575,946 211.88,947 32.765,948 78.934,949 36.022,950 52.93,951 211.88,952 92.076,953 108.575,955 0.571,956 0.333,957 0.191,958 0.106,959 19,960 7,961 0.063,962 3,963 1,964 1.091,965 3.825,966 207.431,967 0.091,968 22,969 110.096,974 16.124,975 7.255,976 3.676,977 2.381,978 92.076,979 14.449,984 1.139,986 36.022,987 412.531,988 36.5,993 11.948,995 1.887,996 4.609,997 1.113,999 45.131,1000 50.734,1001 0.283,1002 0.648,1003 0.785,1004 0.856,1005 0.895,1006 0.911,1007 4.85,1008 1.276,1009 5.687,1010 3.797,1011 4.344,1012 4.868,1013 2.355,1014 6.46,1015 4.262,1016 6.029,1017 1.09,1018 7.212,1019 2.851,1020 3.761,1021 4.575,1022 1.305,1023 7.261,1024 3.662,1025 7.32,1026 1,1027 8.838,1028 2.619,1029 5.889,1030 7.027,1031 2.702,1032 10.374,1033 5.736,1034 8.647,1035 1,1036 10.527,1037 2.326,1038 6.155,1039 7.614,1040 2.363,1041 12.045,1042 5.989,1043 10.008,1044 0.527,1045 12.259,1046 2.136,1047 7.713,1048 9.523,1049 3.376,1050 14.642,1051 7.503,1052 11.393,1053 -0.277,1054 14.019,1055 1.253,1056 8.401,1057 10.562,1058 3.434,1059 16.674,1060 8.184,1061 12.798,1062 -0.39,1063 15.801,1064 -0.722,1065 9.701,1066 12.231,1067 4.229,1068 19.085,1069 9.449,1070 3.034,1071 -0.541,1072 17.599,1073 -0.997,1074 10.601,1075 13.501,1076 4.496,1077 21.27,1078 10.344,1079 2.938,1080 10.197,1081 19.408,1082 -1.332,1083 11.784,1084 15.064,1085 5.169,1086 23.612,1087 11.502,1088 2.465,1089 9.316,1090 21.227,1091 4.431,1092 12.787,1093 16.447,1094 5.545,1095 25.863,1096 12.499,1097 2.139,1098 7.205,1099 23.053,1100 3.554,1101 13.919,1102 17.964,1103 6.148,1104 28.18,1105 13.614,1106 1.93,1107 6.236,1108 24.885,1109 2.947,1110 14.971,1111 19.401,1112 6.582,1113 30.46,1114 14.661,1115 1.725,1116 5.388,1117 26.722,1118 2.765,1119 16.081,1120 20.899,1121 7.145,1122 32.769,1123 15.76,1124 1.618,1125 4.229,1126 28.562,1127 2.557,1128 17.156,1129 22.361,1130 7.611,1131 35.063,1132 16.83,1133 7182,1134 11503,1135 19.474,1136 30.023,1137 41.677,1138 42.707,1139 41.814,1140 41.439,1141 41.486,1142 53.302,1143 9.814,1144 115.105,1145 39.752,1146 5.495,1147 5.61,1148 6.308,1149 5.135,1150 5.034,1151 7.431,1152 2.935,1153 16.978,1154 5.027,1155 6.238,1156 1.488,1157 1.525,1158 1.493,1159 1.48,1160 1.482,1161 1.904,1162 0.35,1163 4.111,1164 1.42,1165 4.094,1166 4.117,1167 4.047,1168 4.054,1169 7.431,1170 4.049,1171 3.887,1172 3.942,1173 3.828,1174 3.685,1175 4.914,1176 3.713,1177 3.663,1178 3.719,1179 3.561,1180 3.452,1181 4.729,1182 3.464,1183 3.488,1184 3.534,1185 3.388,1186 3.38,1187 4.597,1188 3.38,1189 3.263,1190 3.324,1191 3.167,1192 3.103,1193 4.334,1194 3.104,1195 3.111,1196 3.206,1197 2.991,1198 2.941,1199 4.16,1200 2.91,1201 3.06,1202 3.092,1203 2.866,1204 2.799,1205 3.826,1206 2.849,1207 2.951,1208 3.014,1209 2.858,1210 2.751,1211 3.646,1212 2.769,1213 0.161,1214 0.129,1215 0.232,1216 0.144,1217 0.108,1218 4.495,1219 0.158,1220 3.61,1221 0.059,1222 6.506,1223 0.364,1224 4.031,1225 0.108,1226 3.034,1227 4.431,1228 1.663,1229 10.197,1230 3.027,1231 2.081,1232 2.062,1233 2.165,1234 2.136,1235 1.321,1236 2.147,1237 1.788,1238 1.735,1239 1.946,1240 2.019,1241 1.21,1242 1.997,1243 1.588,1244 1.534,1245 1.756,1246 1.836,1247 0.85,1248 1.814,1249 1.489,1250 1.446,1251 1.664,1252 1.624,1253 0.825,1254 1.642,1255 1.23,1256 1.174,1257 1.513,1258 1.437,1259 0.725,1260 1.443,1261 1.153,1262 1.064,1263 1.454,1264 1.376,1265 0.577,1266 1.429,1267 0.928,1268 0.897,1269 1.163,1270 1.232,1271 0.248,1272 1.196,1273 0.904,1274 0.838,1275 1.114,1276 1.124,1277 0.21,1278 1.134,1279 4.043,1281 5.342,1283 6.851,1285 8.455,1287 10.105,1295 3.39,1296 5.614,1297 5.363,1300 2.107,1305 28.73,1306 69.984,1307 160.263,1308 193.972,1309 211.624,1310 221.133,1311 225.133,1312 31.517,1313 7.406,1314 73.48,1315 73.48,1316 24,1317 12.339,1318 3.907,1319 3.248,1320 35.954,1321 93,1322 82,1323 0.188,1324 175.202,1325 306.48,1326 419.252,1327 17618,1329 17.062,1330 0.682,1331 0.555,1332 17.062,1333 13.865,1334 12.293,1335 0.439,1336 0.301,1337 8.296,1338 11.786,1339 8.159,1340 6.701,1341 12.293,1342 8.43,1343 10.813,1344 0.285,1345 0.159,1346 10.813,1347 6.048,1348 9.062,1349 0.181,1350 0.088,1351 9.062,1352 4.408,1353 7.909,1354 0.12,1355 0.047,1356 7.909,1357 3.126,1358 6.541,1359 0.079,1360 0.026,1361 6.541,1362 2.127,1363 0.295,1364 77.18,1365 0.227,1366 24.321,1367 0.512,1368 132,1369 377.427,1370 145.613,1371 361.848,1372 498.01,1373 342,1374 154,1375 363.709,1376 166.922,1377 367.438,1378 538.58,1379 347,1380 4.079}
{0 CHEMBL2158443,1 1.834,2 9.478,3 2.597,4 6.744,5 89.385,6 9.109,7 0.24,8 3.792,9 3.903,10 3.52,11 3.306,12 4.9,13 3.305,14 4.339,15 4.502,16 3.907,17 3.694,18 5.483,19 3.664,20 4.564,21 4.756,22 4.094,23 3.848,24 5.666,25 3.774,26 4.531,27 4.749,28 3.828,29 3.753,30 5.622,31 3.642,32 4.485,33 4.728,34 3.661,35 3.626,36 5.492,37 3.534,38 4.383,39 4.593,40 3.666,41 3.501,42 5.544,43 3.469,44 4.259,45 4.45,46 3.668,47 3.449,48 5.52,49 3.388,50 4.147,51 4.359,52 3.614,53 3.357,54 5.315,55 3.27,56 0.114,57 0.582,58 5.835,59 3.171,60 7.986,61 3.839,62 0.446,63 0.897,64 14.044,65 5.543,66 27.451,67 6.761,68 0.602,69 1.022,70 25.92,71 7.279,72 43.268,73 8.869,74 0.559,75 0.959,76 26.311,77 7.683,78 44.263,79 10.137,80 0.516,81 0.895,82 26.152,83 7.169,84 45.239,85 9.668,86 0.56,87 0.818,88 18.225,89 5.237,90 54.046,91 6.277,92 0.587,93 0.687,94 18.292,95 5.152,96 52.967,97 6.305,98 0.439,99 0.583,100 19.403,101 5.328,102 40.375,103 6.772,104 10,105 34,106 0.33,107 0.684,108 0.81,109 0.85,110 0.85,111 0.85,112 3.188,113 0.958,114 -4,115 -3.95,116 -3.74,119 38.5,125 5,135 1,139 1,142 3,143 1,144 2,158 1,159 1,172 3,175 3,178 4,179 1,180 2,183 4,186 1,187 1,195 6,198 3,199 3,202 2,204 1,207 3,212 3,215 1,217 1,220 1,224 2,229 3,232 2,236 2,237 2,240 1,242 3,245 2,250 4,255 2,263 5,268 2,275 724,276 15.499,277 15.499,278 15.499,279 15.499,280 15.499,281 14.021,282 20.056,283 9.262,284 16.132,285 12.339,286 12.339,287 12.339,288 12.339,289 12.339,290 10.139,291 24.81,292 4.418,293 13.475,294 3.451,295 1.487,296 0.789,297 0.564,298 0.564,299 0.564,300 3.87,301 2,303 1,304 1,305 1,306 465,307 2.345,311 228.377,318 1.501,319 24.993,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.667,331 218,332 4.325,333 3.61,334 6.336,335 3.892,336 2.967,337 3.983,338 1.663,339 9.408,340 2.75,341 4.213,342 3.426,343 6.2,344 3.843,345 2.924,346 3.55,347 0.944,348 9.308,349 2.649,350 3.68,351 3.092,352 5.44,353 3.388,354 2.46,355 2.826,356 0.868,357 7.192,358 2.273,359 3.44,360 2.815,361 5.03,362 3.008,363 2.065,364 2.616,365 0.86,366 5.722,367 1.928,368 3.256,369 2.46,370 4.78,371 2.821,372 1.879,373 2.467,374 0.381,375 5.322,376 1.689,377 2.924,378 2.304,379 4.346,380 2.629,381 1.724,382 2.029,383 0.191,384 4.227,385 1.548,386 2.866,387 1.89,388 3.88,389 2.359,390 1.414,391 1.915,393 3.185,394 1.284,395 2.233,396 1.585,397 3.492,398 1.962,399 1.081,400 1.175,402 2.617,403 0.946,404 2,405 1.298,406 3.297,407 1.952,408 1,409 1,411 2.136,412 0.944,413 1.863,414 1.256,415 3.247,416 1.65,417 0.768,418 0.82,420 1.818,421 0.645,422 1.347,423 0.807,424 2.657,425 0.857,426 0.121,427 0.139,428 0.271,429 0.072,430 1.124,431 0.621,432 2.548,433 0.644,434 -0.347,435 -0.445,436 -0.871,437 -0.295,438 1,439 0.074,440 2.359,441 0.535,442 -0.397,443 -0.463,445 -1.008,446 -0.385,447 0.573,448 -0.178,449 2.21,450 0.382,451 -0.557,452 -0.645,454 -1.342,455 -0.491,456 0.451,457 -0.353,458 1.953,459 0.1,460 -0.834,461 -0.972,463 -2.084,464 -0.706,465 11.195,466 0.487,467 0.541,468 0.024,469 26.5,470 1.152,471 10.5,472 0.457,473 16,474 0.696,475 19.264,476 0.838,477 25.405,478 0.651,479 18.649,480 0.811,481 5.567,482 0.242,483 5.564,484 0.242,485 0.157,487 0.304,493 0.788,494 1.546,495 0.541,496 0.972,497 0.577,498 0.881,499 0.918,500 1.018,501 0.665,502 0.772,503 0.611,504 0.85,505 1.089,506 1.082,507 0.817,508 0.815,509 0.942,510 0.92,511 0.694,512 1,513 1.048,514 1.12,515 0.701,516 1.131,517 0.79,518 1.027,519 0.835,520 0.97,521 0.891,522 0.934,523 1.466,524 0.986,525 0.736,526 0.728,527 1.864,528 0.841,529 1.141,530 0.94,531 0.983,532 0.886,533 1.549,534 0.958,535 0.841,536 0.953,537 0.93,538 1.017,539 0.955,540 0.928,541 4.5,542 0.066,543 2.444,544 1.438,545 1.178,546 0.597,547 0.287,548 0.299,549 0.222,550 0.12,551 5731,552 19969,553 2.067,554 41,556 14,559 2,564 1.657,565 1.944,566 3.249,567 0.407,568 1,569 1,571 1,573 71.527,574 1.834,575 3.799,576 4.497,577 4.721,578 4.721,579 4.721,580 2.703,581 4.176,582 4.499,583 3.4,584 860.101,585 7.741,586 9924.31,587 1,588 1,590 1,591 206.131,592 1.371,593 4.458,594 0.18,595 0.006,596 0.072,597 0.042,598 0.042,599 0.023,600 0.011,601 0.013,602 0.011,603 0.007,604 0.407,605 0.5,606 1,607 0.58,608 108.027,609 -0.098,610 -0.292,611 0.009,612 -0.083,613 -0.044,614 -0.017,615 -0.002,616 0.128,617 0.014,618 0.11,619 0.055,620 0.025,621 -0.136,622 -0.036,623 0.066,624 0.119,625 -0.067,626 0.009,627 0.102,628 0.001,629 -0.086,630 -0.154,631 0.089,632 -0.144,633 0.028,634 -0.08,635 0.029,636 -0.025,637 -0.013,638 0.07,639 -0.31,640 0.039,641 -0.033,642 0.12,643 -0.317,644 0.034,645 0.021,646 0.06,647 -0.059,648 0.042,649 -0.055,650 -0.044,651 0.139,652 -0.044,653 0.14,654 -0.001,655 0.167,656 0.092,657 1.968,658 4.81,659 0.783,660 17.762,661 1.023,662 1.133,663 2.769,664 7.668,665 0.692,666 3.258,667 3.555,668 3.784,669 3.989,670 4.174,671 4.127,672 4.19,673 4.234,674 4.331,675 4.317,676 5.825,677 0.663,678 355.25,679 3.258,680 4.779,681 5.609,682 6.466,683 7.31,684 8.17,685 9.018,686 9.879,687 10.73,688 11.591,689 10.3,692 1,696 2,698 1,704 3,709 3,711 6,730 2,731 39,733 9,734 1,735 25,737 41,738 15,739 6,740 3,741 3,742 3,746 3,747 3,748 2,751 1,761 10,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 16,782 6,783 2,784 8,785 2,790 4,791 1,794 1,795 2,812 3,831 1,836 1,839 1,840 3,845 2,848 23,854 5,855 2,856 1,859 1,869 2,870 5.1,873 1,874 1,877 11.833,878 6.852,879 5.083,880 2.235,881 2.057,882 1.302,883 0.978,884 5.429,885 8.88,886 3.466,887 3.98,888 4.416,889 4.874,890 5.278,891 5.397,892 5.579,893 5.874,894 6.238,895 6.493,896 1,897 34,898 8.476,900 3.567,901 7.857,902 16.007,904 12.867,905 2.357,906 54.222,910 164.795,911 72.525,912 55.931,913 78.297,914 36.145,917 72.525,918 279.238,919 55.931,921 51.523,922 37.905,923 38.473,924 32.425,925 4.276,926 164.795,927 78.297,928 164.795,929 128.457,930 36.145,931 78.297,933 164.795,934 25.145,935 11,937 71.433,938 47.547,939 87.774,941 164.795,942 92.076,943 150.823,946 164.795,947 34.62,948 41.029,949 36.022,950 131.228,951 164.795,952 92.076,953 150.823,955 0.578,956 0.334,957 0.175,958 0.093,959 16,960 7,961 0.073,962 3,964 1,965 3.558,966 177.691,968 18,969 100.042,974 16.58,975 7.531,976 4.175,978 92.076,979 5.4,984 1.778,986 36.022,987 407.694,988 31,993 11.81,995 1.811,996 4.418,997 0.921,999 39.894,1000 44.206,1001 0.347,1002 0.719,1003 0.851,1004 0.893,1005 0.893,1006 0.893,1007 4.705,1008 1.081,1009 5.58,1010 3.185,1011 4.234,1012 4.663,1013 2.355,1014 6.344,1015 4.064,1016 5.881,1017 1,1018 7.112,1019 2.617,1020 3.761,1021 4.425,1022 1.305,1023 7.135,1024 3.457,1025 7.173,1026 0.768,1027 8.744,1028 2.136,1029 5.784,1030 6.721,1031 2.702,1032 10.214,1033 5.462,1034 8.494,1035 0.121,1036 10.433,1037 1.818,1038 6.111,1039 7.27,1040 2.363,1041 11.815,1042 5.638,1043 9.846,1044 -0.347,1045 12.16,1046 0.271,1047 7.604,1048 9.07,1049 3.376,1050 14.395,1051 7.118,1052 11.218,1053 -0.397,1054 13.912,1055 -0.871,1056 8.316,1057 10.001,1058 3.434,1059 16.34,1060 7.685,1061 12.606,1062 -0.557,1063 15.682,1064 -1.008,1065 9.579,1066 11.587,1067 4.229,1068 18.726,1069 8.918,1070 2.967,1071 -0.834,1072 17.465,1073 -1.342,1074 10.479,1075 12.716,1076 4.496,1077 20.826,1078 9.69,1079 2.924,1080 9.408,1081 19.259,1082 -2.084,1083 11.638,1084 14.198,1085 5.169,1086 23.129,1087 10.801,1088 2.46,1089 9.308,1090 21.061,1091 3.983,1092 12.631,1093 15.433,1094 5.545,1095 25.301,1096 11.68,1097 2.065,1098 7.192,1099 22.87,1100 3.55,1101 13.744,1102 16.863,1103 6.148,1104 27.568,1105 12.731,1106 1.879,1107 5.722,1108 24.683,1109 2.826,1110 14.781,1111 18.157,1112 6.582,1113 29.773,1114 13.666,1115 1.724,1116 5.322,1117 26.501,1118 2.616,1119 15.874,1120 19.56,1121 7.145,1122 32.023,1123 14.689,1124 1.414,1125 4.227,1126 28.322,1127 2.467,1128 16.932,1129 20.887,1130 7.611,1131 34.245,1132 15.653,1133 5563,1134 10511,1135 16.701,1136 26.977,1137 37.012,1138 38.789,1139 37.697,1140 36.846,1141 36.806,1142 45.039,1143 9.814,1144 102.412,1145 33.455,1146 5.325,1147 5.61,1148 6.138,1149 4.996,1150 4.967,1151 6.983,1152 2.935,1153 16.084,1154 4.75,1155 10.348,1156 1.48,1157 1.552,1158 1.508,1159 1.474,1160 1.472,1161 1.802,1162 0.393,1163 4.096,1164 1.338,1165 3.957,1166 3.994,1167 4.124,1168 3.89,1169 7.431,1170 3.882,1171 3.857,1172 3.895,1173 3.833,1174 3.676,1175 5.042,1176 3.701,1177 3.652,1178 3.706,1179 3.562,1180 3.422,1181 4.743,1182 3.444,1183 3.264,1184 3.327,1185 3.424,1186 3.069,1187 4.599,1188 3.075,1189 3.111,1190 3.206,1191 3.295,1192 2.941,1193 4.483,1194 2.91,1195 3.056,1196 3.091,1197 3.094,1198 2.838,1199 4.283,1200 2.838,1201 2.899,1202 2.917,1203 2.969,1204 2.788,1205 4.136,1206 2.806,1207 2.84,1208 2.902,1209 2.866,1210 2.616,1211 3.689,1212 2.641,1213 0.173,1214 0.144,1215 0.253,1216 0.156,1217 0.119,1218 4.325,1219 0.159,1220 3.61,1221 0.067,1222 6.336,1223 0.376,1224 3.892,1225 0.11,1226 2.967,1227 3.983,1228 1.663,1229 9.408,1230 2.75,1231 1.904,1232 1.885,1233 1.979,1234 2.035,1235 1.211,1236 2.017,1237 1.779,1238 1.728,1239 1.937,1240 1.954,1241 1.142,1242 1.962,1243 1.566,1244 1.513,1245 1.721,1246 1.818,1247 0.825,1248 1.795,1249 1.202,1250 1.141,1251 1.513,1252 1.441,1253 0.785,1254 1.439,1255 1.153,1256 1.064,1257 1.432,1258 1.376,1259 0.588,1260 1.429,1261 0.92,1262 0.889,1263 1.115,1264 1.231,1265 0.223,1266 1.196,1267 0.847,1268 0.827,1269 1.005,1270 1.028,1271 0.083,1272 1.025,1273 0.751,1274 0.686,1275 0.959,1276 0.947,1278 0.988,1279 3.932,1281 5.231,1283 6.73,1285 8.317,1287 9.945,1290 12.144,1295 3.095,1296 5.467,1297 5.319,1300 2.06,1305 25.858,1306 71.527,1307 148.157,1308 175.376,1309 184.131,1310 184.131,1311 184.131,1312 36.627,1313 6.822,1314 73.48,1315 73.48,1316 18,1317 12.143,1318 3.322,1319 2.807,1320 36.857,1321 80,1322 70,1323 0.223,1324 166.746,1325 296.24,1326 398.621,1327 7944,1328 5.1,1329 16.234,1330 0.706,1331 0.601,1332 17.234,1333 13.824,1334 11.131,1335 0.445,1336 0.319,1337 7.157,1338 10.073,1339 6.984,1340 5.697,1341 11.708,1342 7.986,1343 9.941,1344 0.292,1345 0.174,1346 10.645,1347 5.908,1348 8.215,1349 0.191,1350 0.103,1351 9.225,1352 4.418,1353 6.578,1354 0.124,1355 0.052,1356 7.066,1357 2.746,1358 5.135,1359 0.08,1360 0.027,1361 5.456,1362 1.735,1363 0.35,1364 76.56,1365 0.245,1366 22.636,1367 0.613,1368 118,1369 395.834,1370 162.652,1371 433.715,1372 562.63,1373 404,1374 136,1375 354.435,1376 178.104,1377 374.9,1378 549.91,1379 352,1380 4}
{0 CHEMBL2158444,1 1.532,2 10.192,3 2.554,4 6.523,5 100.644,6 7.301,7 0.379,8 3.979,9 4.103,10 3.537,11 3.499,12 5.033,13 3.485,14 4.53,15 4.706,16 3.891,17 3.894,18 5.59,19 3.855,20 4.778,21 4.994,22 3.922,23 4.051,24 5.738,25 3.981,26 4.773,27 4.992,28 3.884,29 4.058,30 5.757,31 3.954,32 4.856,33 5.107,34 3.821,35 4.032,36 5.769,37 3.918,38 4.823,39 5.077,40 3.735,41 3.888,42 5.822,43 3.796,44 4.627,45 4.868,46 3.626,47 3.722,48 5.734,49 3.65,50 4.469,51 4.703,52 3.507,53 3.69,54 5.413,55 3.591,56 0.02,57 0.727,58 10.129,59 4.186,60 6.864,61 5.648,62 0.329,63 1.174,64 19.587,65 7.092,66 28.365,67 9.704,68 0.363,69 1.427,70 26.392,71 8.756,72 33.283,73 12.479,74 0.293,75 1.436,76 25.593,77 9.832,78 33.93,79 14.045,80 0.272,81 1.471,82 29.242,83 10.122,84 38.309,85 14.892,86 0.362,87 1.357,88 29.391,89 8.823,90 51.763,91 12.87,92 0.57,93 1.122,94 24.283,95 6.773,96 63.318,97 9.842,98 0.148,99 0.992,100 19.529,101 7.099,102 25.426,103 10.108,104 5,105 40,106 0.26,107 0.606,108 0.75,109 0.812,110 0.846,111 0.86,112 3.304,113 0.919,114 -4.27,115 -4.21,116 -3.98,119 41.7,120 1,125 4,127 1,135 1,139 1,142 7,143 3,158 1,159 1,172 11,175 4,178 4,179 1,180 2,183 15,186 1,187 2,195 14,198 3,199 4,202 2,204 2,207 11,212 4,215 1,217 2,220 7,224 5,229 5,232 4,236 2,237 4,240 1,242 5,245 3,250 6,255 4,258 1,263 8,268 3,275 944,276 17.861,277 17.861,278 17.861,279 17.861,280 17.861,281 16.029,282 20.196,283 10.73,284 18.292,285 14.37,286 14.37,287 14.37,288 14.37,289 14.37,290 11.512,291 27.787,292 5.13,293 15.032,294 4.053,295 2.014,296 1.165,297 0.797,298 0.599,299 0.516,300 4.006,303 1,304 1,305 1,306 584,307 2.739,311 291.975,315 111.793,318 1.438,319 20.055,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 265,332 4.534,333 3.614,334 6.665,335 4.108,336 3.116,337 4.448,338 1.663,339 10.706,340 3.095,341 4.225,342 3.295,343 6.202,344 3.875,345 2.939,346 3.571,347 0.944,348 9.325,349 2.746,350 3.792,351 3.09,352 5.711,353 3.476,354 2.529,355 3.084,356 0.868,357 7.698,358 2.404,359 3.577,360 2.808,361 5.393,362 3.292,363 2.323,364 2.765,365 0.86,366 6.903,367 2.229,368 3.38,369 2.424,370 4.824,371 2.911,372 1.931,373 2.565,374 0.381,375 5.449,376 1.88,377 3.118,378 2.291,379 4.433,380 2.636,381 1.726,382 2.427,383 0.191,384 4.265,385 1.618,386 2.94,387 1.618,388 4.337,389 2.618,390 1.618,391 1.955,393 4.059,394 1.565,395 2.782,396 1.605,397 3.931,398 2.392,399 1.413,400 1.899,402 3.399,403 1.379,404 2.634,405 1.487,406 3.577,407 2.244,408 1.247,409 1.659,411 2.772,412 1.242,413 2.225,414 1.256,415 3.49,416 1.952,417 1.068,418 1.161,420 2.603,421 0.946,422 2.086,423 1.255,424 3.247,425 1.948,426 1,427 1,428 2.136,429 0.934,430 2,431 0.791,432 3.246,433 1.688,434 0.698,435 0.956,436 1.681,437 0.691,438 1.231,439 0.667,440 2.775,441 0.773,442 -0.173,443 -0.219,445 -0.48,446 -0.162,447 1.083,448 0.227,449 2.556,450 0.627,451 -0.39,452 -0.453,454 -1,455 -0.385,456 0.934,457 -0.259,458 2.355,459 0.51,460 -0.474,461 -0.619,463 -1.165,464 -0.466,465 12.267,466 0.472,467 0.554,468 0.021,469 32,470 1.231,471 14.5,472 0.558,473 17.5,474 0.673,475 21.213,476 0.816,477 27.933,478 0.582,479 23.673,480 0.91,481 6.562,482 0.252,483 6.141,484 0.236,485 0.068,487 0.318,493 0.842,494 1.39,495 0.796,496 1.113,497 0.633,498 0.966,499 0.958,500 1.006,501 0.932,502 0.946,503 0.613,504 0.941,505 1.17,506 0.956,507 1.054,508 0.87,509 0.999,510 0.923,511 0.474,512 1.099,513 0.98,514 1.173,515 0.56,516 1.156,517 0.742,518 1.092,519 0.966,520 1.068,521 0.843,522 1.046,523 1.378,524 1.046,525 1.073,526 0.957,527 1.654,528 0.962,529 1.465,530 0.807,531 1.134,532 0.76,533 1.988,534 0.864,535 0.873,536 1.084,537 0.943,538 1.069,539 0.938,540 1.024,541 4.5,542 0.049,543 2.444,544 1.813,545 1.32,546 0.75,547 0.428,548 0.302,549 0.247,550 0.14,551 8195,552 20169,553 2.148,554 45.8,556 17,559 2,561 3,564 1.692,565 2.053,566 3.336,567 0.251,568 1,569 1,573 73.532,574 1.532,575 3.571,576 4.42,577 4.788,578 4.986,579 5.069,580 2.716,581 4.133,582 4.677,583 3.464,584 1125.94,585 8.107,586 13943.9,588 1,590 1,591 268.078,592 1.239,593 4.65,594 0.155,595 0.003,596 0.061,597 0.044,598 0.035,599 0.021,600 0.014,601 0.011,602 0.009,603 0.006,604 0.36,605 0.33,606 1,607 0.465,608 126.583,609 -0.046,610 -0.189,611 0.061,612 -0.06,613 -0.054,614 0.006,615 0.113,616 0.117,617 0.003,618 0.044,619 0.097,620 0.003,621 -0.157,622 0.108,623 -0.092,624 0.098,625 -0.119,626 0.028,627 0.187,628 -0.055,629 -0.062,630 -0.163,631 0.127,632 -0.159,633 0.025,634 -0.108,635 -0.004,636 -0.089,637 -0.036,638 -0.055,639 -0.17,640 -0.083,641 -0.047,642 -0.029,643 -0.167,644 -0.018,645 -0.021,646 0.2,647 -0.089,648 0.141,649 -0.097,650 0.042,651 -0.033,652 -0.11,653 0.014,654 -0.065,655 0.035,656 -0.024,657 1.919,658 5.055,659 0.846,660 20.331,661 1,662 1.128,663 3.041,664 9.249,665 0.662,666 3.401,667 3.714,668 3.989,669 4.277,670 4.5,671 4.489,672 4.595,673 4.673,674 4.754,675 4.727,676 6.07,677 0.63,678 350.46,679 3.401,680 4.934,681 5.784,682 6.661,683 7.525,684 8.406,685 9.275,686 10.157,687 11.029,688 11.911,689 8.3,692 1,696 2,698 1,703 2,704 7,709 1,711 11,731 48,733 14,734 2,735 29,737 51,738 20,739 10,740 3,741 7,742 3,746 4,747 5,751 1,752 1,758 1,761 14,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 22,782 6,783 2,784 6,790 4,791 1,794 0.75,795 2,812 4,816 1,831 1,836 1,839 1,840 3,844 1,848 26,854 4,855 2,856 1,858 1,859 1,870 4.2,873 1,874 1,877 12.667,878 8.733,879 5.694,880 2.922,881 3.253,882 1.437,883 1,884 4.912,885 10.701,886 3.651,887 4.212,888 4.775,889 5.368,890 5.895,891 6.152,892 6.523,893 6.896,894 7.276,895 7.331,896 0.857,897 41,898 9.621,900 4.087,901 7.647,902 18.605,904 15.378,905 2.147,906 55.833,909 1,910 235.422,911 115.295,912 55.931,914 36.145,917 115.295,918 271.567,919 55.931,920 8.825,921 49.418,922 75.81,923 38.473,924 30.569,925 4.276,926 235.422,928 235.422,929 171.226,930 36.145,933 200.109,934 60.458,935 11,937 78.153,938 83.597,939 9.476,941 235.422,942 92.076,943 115.295,946 235.422,947 30.659,948 87.759,949 36.022,950 52.93,951 235.422,952 92.076,953 115.295,955 0.576,956 0.338,957 0.195,958 0.108,959 20,960 8,961 0.059,962 3,963 1,964 1.091,965 3.83,966 222.555,967 0.091,968 22,969 116.211,974 17.07,975 7.481,976 3.768,977 2.375,978 92.076,979 14.513,984 1.143,986 36.022,987 442.793,988 37.5,993 12.055,995 1.897,996 4.762,997 1.106,999 48.014,1000 54.149,1001 0.274,1002 0.639,1003 0.791,1004 0.857,1005 0.893,1006 0.908,1007 4.888,1008 1.413,1009 5.753,1010 4.059,1011 4.394,1012 4.898,1013 2.355,1014 6.55,1015 4.315,1016 6.073,1017 1.247,1018 7.295,1019 3.399,1020 3.892,1021 4.635,1022 1.305,1023 7.402,1024 3.792,1025 7.37,1026 1.068,1027 8.94,1028 2.772,1029 5.964,1030 7.058,1031 2.702,1032 10.529,1033 5.814,1034 8.701,1035 1,1036 10.647,1037 2.603,1038 6.293,1039 7.664,1040 2.363,1041 12.24,1042 6.131,1043 10.068,1044 0.698,1045 12.396,1046 2.136,1047 7.819,1048 9.559,1049 3.376,1050 14.865,1051 7.614,1052 11.459,1053 -0.173,1054 14.173,1055 1.681,1056 8.555,1057 10.609,1058 3.434,1059 16.936,1060 8.344,1061 12.87,1062 -0.39,1063 15.971,1064 -0.48,1065 9.841,1066 12.271,1067 4.229,1068 19.383,1069 9.598,1070 3.116,1071 -0.474,1072 17.785,1073 -1,1074 10.777,1075 13.548,1076 4.496,1077 21.61,1078 10.529,1079 2.939,1080 10.706,1081 19.611,1082 -1.165,1083 11.96,1084 15.109,1085 5.169,1086 23.994,1087 11.689,1088 2.529,1089 9.325,1090 21.446,1091 4.448,1092 12.99,1093 16.497,1094 5.545,1095 26.29,1096 12.716,1097 2.323,1098 7.698,1099 23.289,1100 3.571,1101 14.13,1102 18.014,1103 6.148,1104 28.653,1105 13.842,1106 1.931,1107 6.903,1108 25.138,1109 3.084,1110 15.206,1111 19.455,1112 6.582,1113 30.982,1114 14.914,1115 1.726,1116 5.449,1117 26.993,1118 2.765,1119 16.331,1120 20.955,1121 7.145,1122 33.34,1123 16.029,1124 1.618,1125 4.265,1126 28.853,1127 2.565,1128 17.429,1129 22.422,1130 7.611,1131 35.685,1132 17.124,1133 7676,1134 12163,1135 19.879,1136 31.784,1137 43.554,1138 44.423,1139 43.935,1140 43.193,1141 43.214,1142 54.978,1143 9.814,1144 121.993,1145 41.456,1146 5.534,1147 5.614,1148 6.467,1149 5.211,1150 5.116,1151 7.448,1152 2.935,1153 17.832,1154 5.095,1155 8.82,1156 1.502,1157 1.532,1158 1.515,1159 1.489,1160 1.49,1161 1.896,1162 0.338,1163 4.207,1164 1.43,1165 4.1,1166 4.123,1167 4.054,1168 4.06,1169 7.431,1170 4.055,1171 3.889,1172 3.943,1173 3.831,1174 3.69,1175 4.916,1176 3.717,1177 3.674,1178 3.73,1179 3.571,1180 3.483,1181 4.731,1182 3.49,1183 3.521,1184 3.571,1185 3.419,1186 3.383,1187 4.599,1188 3.389,1189 3.357,1190 3.418,1191 3.233,1192 3.215,1193 4.34,1194 3.209,1195 3.111,1196 3.206,1197 2.999,1198 2.941,1199 4.188,1200 2.91,1201 3.064,1202 3.093,1203 2.866,1204 2.852,1205 3.866,1206 2.852,1207 2.963,1208 3.023,1209 2.859,1210 2.789,1211 3.709,1212 2.827,1213 0.156,1214 0.125,1215 0.23,1216 0.142,1217 0.107,1218 4.534,1219 0.153,1220 3.614,1221 0.057,1222 6.665,1223 0.369,1224 4.108,1225 0.107,1226 3.116,1227 4.448,1228 1.663,1229 10.706,1230 3.095,1231 2.085,1232 2.066,1233 2.168,1234 2.141,1235 1.334,1236 2.151,1237 1.791,1238 1.738,1239 1.947,1240 2.02,1241 1.21,1242 1.998,1243 1.615,1244 1.561,1245 1.813,1246 1.846,1247 0.951,1248 1.831,1249 1.501,1250 1.456,1251 1.674,1252 1.679,1253 0.825,1254 1.69,1255 1.359,1256 1.298,1257 1.61,1258 1.529,1259 0.741,1260 1.56,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.657,1266 1.429,1267 0.987,1268 0.929,1269 1.244,1270 1.233,1271 0.338,1272 1.196,1273 0.922,1274 0.891,1275 1.118,1276 1.159,1277 0.23,1278 1.186,1279 4.078,1281 5.389,1283 6.909,1285 8.523,1287 10.184,1289 2.047,1295 2.857,1296 5.659,1297 5.38,1299 -0.073,1300 2.111,1305 30.256,1306 73.532,1307 171.407,1308 212.162,1309 229.814,1310 239.323,1311 243.323,1312 35.259,1313 7.448,1314 73.48,1315 73.48,1316 24,1317 12.448,1318 3.907,1319 3.248,1320 37.99,1321 96,1322 88,1323 0.194,1324 184.794,1325 323.78,1326 442.658,1327 18133,1329 17.933,1330 0.69,1331 0.567,1332 17.933,1333 14.736,1334 12.704,1335 0.438,1336 0.306,1337 8.753,1338 12.198,1339 8.568,1340 7.053,1341 12.704,1342 8.884,1343 11.353,1344 0.284,1345 0.162,1346 11.353,1347 6.467,1348 9.46,1349 0.178,1350 0.089,1351 9.46,1352 4.715,1353 8.381,1354 0.118,1355 0.048,1356 8.381,1357 3.403,1358 6.807,1359 0.076,1360 0.026,1361 6.807,1362 2.289,1363 0.302,1364 79.598,1365 0.224,1366 24.975,1367 0.538,1368 138,1369 383.427,1370 151.946,1371 368.323,1372 509.41,1373 348,1374 162,1375 376.061,1376 175.089,1377 379.235,1378 557.53,1379 359,1380 4.277}
{0 CHEMBL2158858,1 1.769,2 14.618,3 2.81,4 7.897,5 128.524,6 8.647,7 0.649,8 4.127,9 4.236,10 3.933,11 3.699,12 5.326,13 3.684,14 4.597,15 4.735,16 4.201,17 4.051,18 6.057,19 4.024,20 4.817,21 4.991,22 4.204,23 4.166,24 6.061,25 4.12,26 4.849,27 5.039,28 4.154,29 4.128,30 6.083,31 4.078,32 4.839,33 5.048,34 4.121,35 4.108,36 6.067,37 4.052,38 4.777,39 4.983,40 4.03,41 4.053,42 5.917,43 3.985,44 4.714,45 4.94,46 4.005,47 3.991,48 5.931,49 3.91,50 4.61,51 4.812,52 3.948,53 3.935,54 5.801,55 3.862,56 0.162,57 0.904,58 11.314,59 4.631,60 22.923,61 4.991,62 0.528,63 1.353,64 18.131,65 7.666,66 74.069,67 8.917,68 0.468,69 1.582,70 24.908,71 9.509,72 59.857,73 10.944,74 0.529,75 1.593,76 26.11,77 9.402,78 69.452,79 11.226,80 0.585,81 1.57,82 27.65,83 9.793,84 65.949,85 12.23,86 0.501,87 1.485,88 24.468,89 8.75,90 66.011,91 11.123,92 0.559,93 1.392,94 23.693,95 8.886,96 62.382,97 11.867,98 0.349,99 1.259,100 21.096,101 8.29,102 38.436,103 10.408,104 32,105 52,106 0.286,107 0.584,108 0.741,109 0.871,110 0.885,111 0.885,112 3.56,113 0.944,114 -2.53,115 -2.56,116 -2.5,119 41.8,124 1,142 11,143 2,144 3,145 2,146 2,150 1,159 1,163 1,164 1,165 1,172 8,174 2,175 6,177 2,178 6,179 1,180 4,183 10,187 9,192 5,195 8,197 2,199 11,204 7,207 5,209 1,211 1,212 10,215 2,216 1,217 5,219 1,220 5,222 1,224 5,227 1,229 2,232 8,236 5,237 3,239 2,240 3,242 2,245 8,249 1,250 3,253 1,255 4,258 4,263 9,266 1,268 6,271 4,273 2,275 2252,276 22.668,277 22.668,278 22.668,279 22.668,280 22.668,281 19.443,282 20.959,283 13.301,284 23.195,285 18.243,286 18.243,287 18.243,288 18.243,289 18.243,290 13.289,291 30.607,292 6.289,293 19.048,294 4.012,295 2.169,296 1.192,297 0.391,298 0.305,299 0.305,300 4.254,304 1,305 1,306 1057,307 4,311 469.079,318 2.536,319 39.513,322 1,323 0.67,324 1,325 0.6,327 0.83,328 0.5,329 0.66,330 74.5,331 497,332 4.805,333 4.662,334 7.116,335 4.236,336 3.32,337 4.665,338 1.656,339 11.69,340 3.009,341 4.362,342 3.54,343 6.278,344 3.968,345 2.99,346 4.043,347 0.4,348 9.553,349 2.928,350 4.157,351 3.004,352 6.042,353 3.755,354 2.789,355 3.766,356 0.247,357 8.753,358 2.701,359 3.945,360 2.846,361 5.569,362 3.548,363 2.591,364 3.47,366 7.641,367 2.473,368 3.836,369 2.658,370 5.464,371 3.465,372 2.495,373 3.318,375 7.31,376 2.412,377 3.62,378 2.424,379 5.1,380 3.148,381 2.186,382 2.986,384 6.26,385 2.094,386 3.436,387 2.203,388 4.781,389 3.018,390 2.038,391 2.678,393 5.33,394 1.982,395 3.122,396 1.729,397 4.529,398 2.646,399 1.673,400 2.363,402 4.591,403 1.625,404 2.977,405 1.578,406 4.436,407 2.48,408 1.507,409 2.163,411 4.267,412 1.461,413 2.744,414 1.313,415 4.078,416 2.238,417 1.273,418 1.852,420 3.366,421 1.225,422 2.611,423 1.17,424 3.503,425 2.107,426 1.124,427 1.657,428 2.594,429 1.104,430 2.603,431 1.144,432 3.482,433 2.095,434 1.11,435 1.649,436 2.529,437 1.09,438 2.5,439 1.096,440 3.456,441 2,442 1,443 1.5,445 2.401,446 1,447 2.5,448 1,449 3.414,450 1.937,451 1,452 1.5,454 2.275,455 0.934,456 1.519,457 1,458 2.911,459 1.332,460 0.404,461 0.432,463 0.623,464 0.373,465 16.133,466 0.475,467 0.945,468 0.028,469 51.75,470 1.522,471 29.5,472 0.868,473 22.25,474 0.654,475 22.991,476 0.676,477 35.467,478 0.645,479 42.659,480 1.255,481 10.297,482 0.303,483 6.016,484 0.177,485 0.118,486 0.052,487 0.279,493 0.702,494 1.285,495 0.794,496 1.112,497 0.738,498 0.839,499 0.515,500 0.976,501 0.884,502 0.987,503 0.465,504 0.926,505 1.128,506 1.124,507 1.027,508 1.007,509 0.994,510 1.002,511 1.176,512 1.131,513 0.993,514 0.996,515 1.097,516 1.043,517 0.869,518 0.965,519 0.911,520 0.91,521 0.796,522 0.94,523 0.97,524 1.041,525 0.907,526 0.94,527 0.919,528 1.044,529 0.438,530 0.803,531 0.722,532 0.813,533 0.394,534 0.922,535 0.675,536 1.023,537 0.86,538 1.003,539 0.587,540 1.002,541 8.5,542 0.227,543 3.556,544 2,545 1.467,546 1.153,547 0.767,548 0.431,549 0.362,550 0.326,551 17897,552 59762,553 2.052,554 38.2,556 14,558 2,559 5,564 1.757,565 1.915,566 3.821,567 2.366,573 97.288,574 1.769,575 3.613,576 4.589,577 5.39,578 5.477,579 5.477,580 3.278,581 4.359,582 5.055,583 4.013,584 2251.26,585 8.85,586 35841,591 317.975,592 1.533,593 5.01,594 0.23,595 0.007,596 0.068,597 0.038,598 0.031,599 0.024,600 0.018,601 0.011,602 0.009,603 0.009,604 0.445,605 0.17,606 0.75,607 1.096,608 185.34,609 -0.03,610 -0.101,611 0.158,612 -0.031,613 -0.195,614 0.056,615 0.34,616 0.133,617 -0.013,618 -0.007,619 0.318,620 -0.027,621 -0.21,622 -0.098,623 -0.132,624 -0.044,625 -0.105,626 -0.059,627 -0.213,628 -0.133,629 -0.119,630 -0.074,631 -0.151,632 -0.095,633 0.001,634 0.022,635 -0.011,636 0.021,637 0.003,638 0.039,639 -0.134,640 -0.061,641 -0.063,642 -0.036,643 -0.154,644 -0.069,645 0.279,646 0.172,647 0.153,648 0.105,649 0.182,650 0.088,651 0.055,652 -0.041,653 0.054,654 -0.025,655 0.066,656 0.008,657 4.738,658 4.597,659 0.706,660 43.349,661 1.017,662 1.126,663 1.3,664 1.691,665 0.698,666 3.638,667 3.97,668 4.174,669 4.394,670 4.644,671 4.673,672 4.86,673 4.942,674 5.063,675 5.165,676 8.486,677 0.676,678 475.58,679 3.638,680 5.187,681 6.019,682 6.893,683 7.741,684 8.615,685 9.471,686 10.345,687 11.204,688 12.078,689 12.7,693 1,696 2,697 1,699 3,704 13,705 3,709 8,711 24,724 1,731 55,733 27,734 2,735 37,737 58,738 23,739 21,740 4,741 8,746 4,747 4,751 1,761 22,762 1,766 3,769 1,771 3,775 1,781 21,782 10,783 5,784 11,785 1,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 1,848 34,849 1,852 1,855 3,870 5.5,873 3,877 17.75,878 9.933,879 7.389,880 2.882,881 4.826,882 1.593,883 1.016,884 6.845,885 12.97,886 3.97,887 4.605,888 5.112,889 5.678,890 6.265,891 6.487,892 6.989,893 7.354,894 7.78,895 8.191,896 0.9,897 52,898 12.712,900 5.631,901 8.012,902 23.179,904 18.688,905 2.512,906 85.417,910 188.338,911 161.661,912 135.68,914 69.458,916 5.807,917 155.854,918 257.796,919 135.68,920 8.396,921 36.022,922 141.338,923 143.357,924 55.054,925 6.175,926 164.795,928 188.338,929 291.534,930 69.458,931 5.807,933 188.338,934 69.458,937 79.54,938 161.638,939 56.164,941 188.338,942 205.138,943 161.661,945 5.807,946 188.338,947 25.124,948 130.73,949 54.032,950 151.106,951 188.338,952 205.138,953 161.661,955 0.585,956 0.326,957 0.164,958 0.094,959 24,960 11,961 0.103,962 6,964 1,965 4.501,966 308.338,968 24,969 166.974,973 1,974 23.331,975 9.975,976 5.955,978 205.138,979 22.202,980 13.188,984 4.523,986 85.324,987 555.137,988 52,991 -3.822,993 34.65,997 -0.294,999 55.956,1000 61.943,1001 0.306,1002 0.625,1003 0.794,1004 0.932,1005 0.947,1006 0.947,1007 5.198,1008 1.673,1009 6.028,1010 5.33,1011 4.654,1012 5.293,1013 1.812,1014 6.836,1015 4.57,1016 6.439,1017 1.507,1018 7.592,1019 4.591,1020 4.369,1021 5.263,1022 1.195,1023 7.901,1024 4.214,1025 7.775,1026 1.273,1027 9.264,1028 4.267,1029 6.293,1030 7.57,1031 2.419,1032 10.886,1033 6.105,1034 9.149,1035 1.124,1036 11.001,1037 3.366,1038 6.792,1039 8.33,1040 2.324,1041 12.768,1042 6.51,1043 10.556,1044 1.11,1045 12.782,1046 2.594,1047 8.234,1048 10.16,1049 3.244,1050 15.341,1051 7.918,1052 11.986,1053 1,1054 14.596,1055 2.529,1056 9.085,1057 11.293,1058 3.407,1059 17.551,1060 8.668,1061 13.437,1062 1,1063 16.434,1064 2.401,1065 10.342,1066 12.932,1067 4.156,1068 20.01,1069 9.879,1070 3.32,1071 0.404,1072 18.292,1073 2.275,1074 11.36,1075 14.254,1076 4.464,1077 22.356,1078 10.794,1079 2.99,1080 11.69,1081 20.165,1082 0.623,1083 12.549,1084 15.815,1085 5.111,1086 24.791,1087 11.923,1088 2.789,1089 9.553,1090 22.052,1091 4.665,1092 13.646,1093 17.235,1094 5.504,1095 27.194,1096 12.919,1097 2.591,1098 8.753,1099 23.95,1100 4.043,1101 14.815,1102 18.766,1103 6.091,1104 29.63,1105 14.014,1106 2.495,1107 7.641,1108 25.857,1109 3.766,1110 15.951,1111 20.238,1112 6.531,1113 32.059,1114 15.051,1115 2.186,1116 7.31,1117 27.772,1118 3.47,1119 17.118,1120 21.761,1121 7.083,1122 34.501,1123 16.133,1124 2.038,1125 6.26,1126 29.694,1127 3.318,1128 18.276,1129 23.26,1130 7.551,1131 36.942,1132 17.191,1133 17257,1134 31732,1135 24.444,1136 38.381,1137 55.313,1138 56.996,1139 56.134,1140 54.997,1141 54.995,1142 76.086,1143 4.606,1144 158.368,1145 52.823,1146 5.598,1147 6.662,1148 6.67,1149 5.307,1150 5.32,1151 7.665,1152 2.912,1153 18.669,1154 5.009,1155 18.468,1156 1.495,1157 1.54,1158 1.517,1159 1.486,1160 1.486,1161 2.056,1162 0.124,1163 4.28,1164 1.428,1165 4.08,1166 4.087,1167 4.728,1168 4.054,1169 7.726,1170 3.984,1171 4.005,1172 4.014,1173 3.987,1174 3.939,1175 7.431,1176 3.928,1177 3.859,1178 3.896,1179 3.83,1180 3.753,1181 6.999,1182 3.759,1183 3.689,1184 3.727,1185 3.713,1186 3.565,1187 5.047,1188 3.532,1189 3.595,1190 3.613,1191 3.579,1192 3.461,1193 4.875,1194 3.439,1195 3.518,1196 3.578,1197 3.431,1198 3.237,1199 4.827,1200 3.277,1201 3.088,1202 3.169,1203 2.969,1204 2.906,1205 4.675,1206 2.908,1207 3.046,1208 3.123,1209 2.909,1210 2.863,1211 4.634,1212 2.867,1213 0.13,1214 0.126,1215 0.192,1216 0.114,1217 0.09,1218 4.805,1219 0.126,1220 4.662,1221 0.045,1222 7.116,1223 0.316,1224 4.236,1225 0.081,1226 3.32,1227 4.665,1228 1.656,1229 11.69,1230 3.009,1231 1.981,1232 1.966,1233 2.059,1234 2.082,1235 1.16,1236 2.083,1237 1.953,1238 1.946,1239 1.988,1240 2.032,1241 1.149,1242 2.054,1243 1.818,1244 1.786,1245 1.907,1246 1.943,1247 0.982,1248 1.94,1249 1.59,1250 1.551,1251 1.709,1252 1.797,1253 0.693,1254 1.778,1255 1.445,1256 1.461,1257 1.678,1258 1.709,1259 0.666,1260 1.71,1261 1.417,1262 1.342,1263 1.284,1264 1.627,1265 0.517,1266 1.658,1267 1.051,1268 0.984,1269 1.265,1270 1.319,1271 0.315,1272 1.315,1273 1.004,1274 0.937,1275 1.223,1276 1.24,1277 0.26,1278 1.244,1279 4.317,1281 5.645,1283 7.16,1285 8.752,1287 10.383,1289 1.55,1293 5.203,1296 8.215,1305 37.169,1306 97.288,1307 198.696,1308 252.411,1309 296.465,1310 301.22,1311 301.22,1312 65.052,1313 8.144,1314 151.99,1315 160.37,1316 24,1317 12.621,1318 4.807,1319 4,1320 57.144,1321 172,1322 190,1323 0.159,1324 234.444,1325 400.98,1326 563.804,1327 45413,1329 24.131,1330 0.71,1331 0.555,1332 24.381,1333 18.874,1334 16.313,1335 0.441,1336 0.315,1337 10.082,1338 14.927,1339 9.727,1340 8.121,1341 17.207,1342 11.649,1343 15.341,1344 0.295,1345 0.168,1346 16.728,1347 8.736,1348 11.91,1349 0.186,1350 0.089,1351 12.654,1352 5.707,1353 9.492,1354 0.119,1355 0.046,1356 10.02,1357 3.685,1358 8.007,1359 0.078,1360 0.024,1361 8.493,1362 2.521,1363 0.257,1364 111.339,1365 0.202,1366 31.954,1367 0.418,1368 178,1369 575.313,1370 230.078,1371 584.893,1372 790.04,1373 538,1374 205,1375 556.626,1376 261.262,1377 601.455,1378 865.16,1379 562,1380 7.357}
{0 CHEMBL2158859,1 1.746,2 15.2,3 3.088,4 9.533,5 132.236,6 8.442,7 0.632,8 4.172,9 4.284,10 3.959,11 3.736,12 5.346,13 3.717,14 4.656,15 4.808,16 4.243,17 4.092,18 6.031,19 4.057,20 4.864,21 5.038,22 4.263,23 4.219,24 6.096,25 4.167,26 4.928,27 5.114,28 4.196,29 4.181,30 6.175,31 4.134,32 4.885,33 5.088,34 4.161,35 4.172,36 6.088,37 4.11,38 4.867,39 5.083,40 4.075,41 4.126,42 5.961,43 4.048,44 4.791,45 5.022,46 4.035,47 4.051,48 5.961,49 3.963,50 4.689,51 4.904,52 3.993,53 3.988,54 5.835,55 3.91,56 0.147,57 0.944,58 12.357,59 4.955,60 18.47,61 5.594,62 0.559,63 1.426,64 20.047,65 8.068,66 62.116,67 9.685,68 0.425,69 1.665,70 29.878,71 10.681,72 55.062,73 12.289,74 0.63,75 1.674,76 29.447,77 10.09,78 92.027,79 11.929,80 0.551,81 1.649,82 28.557,83 10.316,84 61.749,85 13.082,86 0.495,87 1.601,88 27.96,89 9.863,90 64.494,91 13.038,92 0.582,93 1.493,94 26.103,95 9.5,96 61.605,97 12.873,98 0.341,99 1.343,100 24.045,101 9.147,102 40.825,103 11.896,104 35,105 53,106 0.279,107 0.583,108 0.733,109 0.871,110 0.884,111 0.884,112 3.588,113 0.952,114 -2.74,115 -2.76,116 -2.67,119 41.4,124 2,142 11,143 2,144 3,145 2,146 2,150 1,159 1,172 8,174 2,175 6,178 6,179 1,180 4,183 10,187 9,192 5,195 8,199 11,204 7,207 5,211 1,212 10,215 2,216 1,217 5,220 5,224 5,227 1,229 2,232 8,236 5,237 3,240 3,242 2,245 8,249 1,250 3,253 1,255 4,258 4,263 9,266 1,268 6,271 4,275 2449,276 23.59,277 23.59,278 23.59,279 23.59,280 23.59,281 20.404,282 20.923,283 13.755,284 24.113,285 18.619,286 18.619,287 18.619,288 18.619,289 18.619,290 13.645,291 30.565,292 6.389,293 19.439,294 4.112,295 2.214,296 1.281,297 0.418,298 0.336,299 0.336,300 4.282,305 1,306 1128,307 4.123,311 485.499,318 2.56,319 39.356,322 1,323 0.67,324 1,325 0.6,327 0.83,328 0.5,329 0.66,330 76.5,331 532,332 4.845,333 4.683,334 7.289,335 4.291,336 3.374,337 4.699,338 1.656,339 12.358,340 3.065,341 4.362,342 3.54,343 6.278,344 3.968,345 2.99,346 4.043,347 0.4,348 9.553,349 2.928,350 4.158,351 3.004,352 6.042,353 3.755,354 2.789,355 3.766,356 0.247,357 8.754,358 2.701,359 3.948,360 2.846,361 5.581,362 3.553,363 2.594,364 3.476,366 7.665,367 2.481,368 3.838,369 2.66,370 5.464,371 3.469,372 2.498,373 3.321,375 7.311,376 2.416,377 3.622,378 2.425,379 5.137,380 3.154,381 2.193,382 2.987,384 6.304,385 2.099,386 3.436,387 2.211,388 4.784,389 3.02,390 2.039,391 2.678,393 5.332,394 1.985,395 3.125,396 1.765,397 4.673,398 2.656,399 1.682,400 2.366,402 4.659,403 1.634,404 2.985,405 1.642,406 4.474,407 2.501,408 1.534,409 2.174,411 4.348,412 1.478,413 2.744,414 1.327,415 4.079,416 2.241,417 1.277,418 1.854,420 3.368,421 1.228,422 2.614,423 1.209,424 3.514,425 2.12,426 1.129,427 1.662,428 2.597,429 1.116,430 2.603,431 1.145,432 3.487,433 2.096,434 1.12,435 1.651,436 2.537,437 1.09,438 2.5,439 1.096,440 3.456,441 2,442 1,443 1.5,445 2.401,446 1,447 2.5,448 1,449 3.414,450 1.937,451 1,452 1.5,454 2.275,455 0.934,456 1.538,457 1,458 3.116,459 1.332,460 0.404,461 0.432,463 0.623,464 0.373,465 16.633,466 0.475,467 0.884,468 0.025,469 52.5,470 1.5,471 29.5,472 0.843,473 23,474 0.657,475 24.153,476 0.69,477 36.767,478 0.634,479 44.208,480 1.263,481 10.524,482 0.301,483 6.35,484 0.181,485 0.12,486 0.05,487 0.271,493 0.681,494 1.365,495 0.794,496 1.161,497 0.669,498 0.887,499 0.568,500 0.928,501 0.841,502 0.896,503 0.546,504 0.877,505 1.098,506 1.173,507 1.195,508 1.164,509 0.955,510 1.002,511 1.474,512 1.083,513 1.055,514 0.945,515 1.51,516 1.016,517 0.865,518 1.008,519 0.935,520 0.96,521 0.806,522 0.992,523 0.908,524 1.054,525 0.874,526 0.948,527 0.864,528 1.035,529 0.485,530 0.814,531 0.764,532 0.825,533 0.416,534 0.944,535 0.624,536 1.048,537 0.794,538 0.982,539 0.547,540 0.955,541 8.5,542 0.239,543 4,544 2,545 1.467,546 1.181,547 0.807,548 0.431,549 0.362,550 0.336,551 19294,552 62153,553 2.051,554 39.7,556 17,558 2,559 4,564 1.764,565 1.918,566 3.873,567 1.576,573 101.276,574 1.746,575 3.644,576 4.577,577 5.44,578 5.522,579 5.522,580 3.375,581 4.901,582 5.097,583 4.049,584 2409.11,585 8.934,586 39236.8,591 339.763,592 1.513,593 5.053,594 0.224,595 0.007,596 0.075,597 0.036,598 0.029,599 0.024,600 0.018,601 0.01,602 0.009,603 0.009,604 0.442,605 0.17,606 0.75,607 1.166,608 192.618,609 -0.005,610 -0.172,611 0.167,612 -0.069,613 -0.155,614 0.027,615 0.318,616 0.193,617 0.054,618 0.081,619 0.235,620 0.03,621 -0.173,622 -0.117,623 -0.148,624 -0.096,625 -0.039,626 -0.036,627 -0.308,628 -0.091,629 -0.167,630 -0.024,631 -0.249,632 -0.086,633 -0.003,634 -0.003,635 -0.055,636 -0.026,637 -0.009,638 -0.023,639 -0.094,640 -0.083,641 -0.023,642 -0.034,643 -0.118,644 -0.048,645 0.242,646 0.174,647 0.106,648 0.085,649 0.15,650 0.051,651 0.096,652 -0.078,653 0.13,655 0.099,656 0.066,657 4.484,658 5.076,659 0.686,660 45.28,661 1.014,662 1.127,663 1.512,664 2.285,665 0.692,666 3.664,667 3.989,668 4.22,669 4.419,670 4.663,671 4.7,672 4.883,673 4.977,674 5.081,675 5.193,676 8.68,677 0.667,678 489.61,679 3.664,680 5.209,681 6.047,682 6.919,683 7.773,684 8.646,685 9.506,686 10.38,687 11.243,688 12.117,689 12.1,691 1,696 2,697 1,699 3,704 13,705 3,709 8,711 24,724 1,731 58,733 27,734 2,735 38,737 61,738 24,739 21,740 4,741 8,746 4,747 4,751 1,761 22,762 2,766 3,769 1,771 3,775 1,781 23,782 10,783 4,784 11,785 1,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 2,848 35,852 1,855 4,870 5.2,873 3,877 18.25,878 10.85,879 7.764,880 3.118,881 4.832,882 1.588,883 1.006,884 7.371,885 13.046,886 3.989,887 4.615,888 5.142,889 5.688,890 6.274,891 6.5,892 7,893 7.371,894 7.787,895 8.201,896 1,897 55,898 13.064,900 5.714,901 7.955,902 24.018,904 19.274,905 2.455,906 85.917,910 223.651,911 170.058,912 120.794,914 69.458,916 5.807,917 164.25,918 293.109,919 120.794,920 16.793,921 36.022,922 126.451,923 143.357,924 55.054,925 6.175,926 200.109,928 223.651,929 285.044,930 69.458,931 5.807,933 223.651,934 69.458,937 95.945,938 138.743,939 56.164,941 223.651,942 190.252,943 170.058,945 5.807,946 223.651,947 25.124,948 139.126,949 70.437,950 119.814,951 223.651,952 190.252,953 170.058,955 0.581,956 0.338,957 0.166,958 0.092,959 24,960 11,961 0.115,962 7,964 1,965 4.57,966 320.598,968 24,969 171.525,973 1,974 24.298,975 10.617,976 5.999,978 190.252,979 22.588,980 13.274,984 4.793,986 70.437,987 583.96,988 53,991 -3.567,993 35.625,997 -0.29,999 58.84,1000 65.358,1001 0.298,1002 0.622,1003 0.781,1004 0.929,1005 0.943,1006 0.943,1007 5.215,1008 1.682,1009 6.052,1010 5.332,1011 4.673,1012 5.303,1013 1.812,1014 6.868,1015 4.588,1016 6.45,1017 1.534,1018 7.623,1019 4.659,1020 4.369,1021 5.263,1022 1.195,1023 7.984,1024 4.214,1025 7.786,1026 1.277,1027 9.303,1028 4.348,1029 6.319,1030 7.582,1031 2.419,1032 10.98,1033 6.13,1034 9.163,1035 1.129,1036 11.052,1037 3.368,1038 6.825,1039 8.349,1040 2.324,1041 12.944,1042 6.542,1043 10.574,1044 1.12,1045 12.849,1046 2.597,1047 8.275,1048 10.18,1049 3.244,1050 15.545,1051 7.956,1052 12.01,1053 1,1054 14.68,1055 2.537,1056 9.143,1057 11.325,1058 3.407,1059 17.841,1060 8.721,1061 13.466,1062 1,1063 16.539,1064 2.401,1065 10.408,1066 12.965,1067 4.156,1068 20.348,1069 9.937,1070 3.374,1071 0.404,1072 18.419,1073 2.275,1074 11.446,1075 14.3,1076 4.464,1077 22.772,1078 10.869,1079 2.99,1080 12.358,1081 20.317,1082 0.623,1083 12.646,1084 15.865,1085 5.111,1086 25.266,1087 12.004,1088 2.789,1089 9.553,1090 22.23,1091 4.699,1092 13.763,1093 17.296,1094 5.504,1095 27.74,1096 13.017,1097 2.594,1098 8.754,1099 24.155,1100 4.043,1101 14.947,1102 18.834,1103 6.091,1104 30.239,1105 14.122,1106 2.498,1107 7.665,1108 26.09,1109 3.766,1110 16.103,1111 20.316,1112 6.531,1113 32.733,1114 15.175,1115 2.193,1116 7.311,1117 28.033,1118 3.476,1119 17.287,1120 21.846,1121 7.083,1122 35.238,1123 16.27,1124 2.039,1125 6.304,1126 29.984,1127 3.321,1128 18.464,1129 23.355,1130 7.551,1131 37.742,1132 17.344,1133 18649,1134 33653,1135 25.137,1136 40.142,1137 56.046,1138 58.192,1139 58.252,1140 55.968,1141 55.997,1142 77.047,1143 4.606,1144 161.167,1145 53.749,1146 5.639,1147 6.683,1148 6.843,1149 5.363,1150 5.374,1151 7.699,1152 2.912,1153 19.515,1154 5.065,1155 18.829,1156 1.475,1157 1.531,1158 1.533,1159 1.473,1160 1.474,1161 2.028,1162 0.121,1163 4.241,1164 1.414,1165 4.087,1166 4.092,1167 4.734,1168 4.062,1169 7.717,1170 3.989,1171 4.007,1172 4.018,1173 3.987,1174 3.939,1175 7.431,1176 3.93,1177 3.86,1178 3.898,1179 3.83,1180 3.754,1181 6.999,1182 3.759,1183 3.698,1184 3.735,1185 3.714,1186 3.577,1187 5.046,1188 3.541,1189 3.61,1190 3.645,1191 3.58,1192 3.465,1193 4.875,1194 3.459,1195 3.518,1196 3.584,1197 3.431,1198 3.237,1199 4.693,1200 3.277,1201 3.128,1202 3.206,1203 2.975,1204 2.911,1205 4.638,1206 2.914,1207 3.084,1208 3.166,1209 2.917,1210 2.888,1211 4.21,1212 2.879,1213 0.127,1214 0.123,1215 0.192,1216 0.113,1217 0.089,1218 4.845,1219 0.124,1220 4.683,1221 0.044,1222 7.289,1223 0.325,1224 4.291,1225 0.081,1226 3.374,1227 4.699,1228 1.656,1229 12.358,1230 3.065,1231 1.982,1232 1.97,1233 2.059,1234 2.083,1235 1.175,1236 2.085,1237 1.956,1238 1.947,1239 1.989,1240 2.036,1241 1.155,1242 2.058,1243 1.818,1244 1.787,1245 1.908,1246 1.946,1247 0.982,1248 1.942,1249 1.595,1250 1.561,1251 1.709,1252 1.803,1253 0.754,1254 1.792,1255 1.504,1256 1.488,1257 1.679,1258 1.725,1259 0.691,1260 1.735,1261 1.418,1262 1.342,1263 1.654,1264 1.689,1265 0.66,1266 1.693,1267 1.088,1268 1.011,1269 1.265,1270 1.328,1271 0.43,1272 1.371,1273 1.049,1274 0.982,1275 1.228,1276 1.315,1277 0.315,1278 1.315,1279 4.344,1281 5.666,1283 7.185,1285 8.782,1287 10.418,1289 2.916,1296 10.577,1305 38.696,1306 101.276,1307 211.339,1308 265.444,1309 315.498,1310 320.253,1311 320.253,1312 69.617,1313 8.215,1314 138,1315 146.38,1316 24,1317 12.659,1318 4.807,1319 4,1320 59.754,1321 181,1322 201,1323 0.158,1324 244.037,1325 418.28,1326 587.209,1327 49759,1329 24.838,1330 0.71,1331 0.566,1332 25.088,1333 19.797,1334 16.874,1335 0.444,1336 0.317,1337 10.53,1338 15.369,1339 10.134,1340 8.484,1341 17.695,1342 12.054,1343 15.317,1344 0.289,1345 0.174,1346 16.692,1347 9.224,1348 12.702,1349 0.19,1350 0.096,1351 13.841,1352 6.458,1353 9.704,1354 0.118,1355 0.049,1356 10.337,1357 4.009,1358 8.114,1359 0.077,1360 0.026,1361 8.653,1362 2.688,1363 0.255,1364 114.252,1365 0.199,1366 32.724,1367 0.414,1368 182,1369 584.334,1370 237.78,1371 590.551,1372 802.72,1373 546,1374 211,1375 565.557,1376 270.375,1377 610.226,1378 882.74,1379 572,1380 7.097}
{0 CHEMBL2158861,1 1.703,2 15.432,3 4.11,4 16.889,5 142.572,6 8.089,7 0.6,8 4.257,9 4.373,10 4.005,11 3.812,12 5.402,13 3.785,14 4.761,15 4.933,16 4.323,17 4.181,18 6.06,19 4.138,20 4.953,21 5.112,22 4.387,23 4.352,24 6.174,25 4.287,26 5.125,27 5.322,28 4.318,29 4.341,30 6.351,31 4.275,32 5.058,33 5.265,34 4.26,35 4.307,36 6.25,37 4.239,38 5.013,39 5.228,40 4.154,41 4.271,42 6.075,43 4.175,44 5.017,45 5.286,46 4.106,47 4.187,48 6.077,49 4.072,50 4.818,51 5.048,52 4.079,53 4.084,54 5.933,55 4.005,56 0.124,57 1.024,58 14.465,59 5.6,60 18.115,61 6.752,62 0.597,63 1.564,64 24.15,65 9.07,66 60.769,67 11.472,68 0.325,69 1.858,70 34.39,71 12.435,72 47.358,73 14.406,74 0.709,75 1.969,76 41.296,77 13.27,78 116.11,79 16.095,80 0.674,81 1.894,82 35.643,83 12.16,84 89.51,85 15.694,86 0.462,87 1.848,88 32.508,89 11.566,90 62.557,91 15.814,92 0.668,93 1.771,94 36.45,95 12.277,96 76.077,97 17.549,98 0.365,99 1.516,100 28.568,101 10.041,102 47.776,103 13.564,104 59,105 57,106 0.268,107 0.586,108 0.724,109 0.841,110 0.853,111 0.853,112 3.642,113 0.96,114 -3.15,115 -3.15,116 -3.02,119 40.6,120 1,124 3,142 10,143 3,144 3,145 2,146 2,150 1,159 1,172 9,174 4,175 6,178 4,179 1,180 4,183 11,187 11,192 3,195 10,199 15,204 6,207 5,211 1,212 11,215 3,217 5,220 5,224 5,227 1,229 2,232 8,236 7,237 5,240 1,242 2,245 8,249 1,250 3,253 1,255 4,258 4,263 11,266 1,268 4,271 6,275 2790,276 24.452,277 24.452,278 24.452,279 24.452,280 24.452,281 21.235,282 25.21,283 14.137,284 24.997,285 19.639,286 19.639,287 19.639,288 19.639,289 19.639,290 14.622,291 35.266,292 6.613,293 20.49,294 4.297,295 2.274,296 1.395,297 0.653,298 0.578,299 0.578,300 4.332,305 1,306 1204,307 4.416,311 519.227,318 2.66,319 42.097,322 0.75,323 0.67,324 0.83,325 0.5,327 0.83,328 1,329 0.65,330 80.5,331 571,332 4.95,333 4.742,334 7.677,335 4.445,336 3.522,337 4.793,338 1.656,339 13.597,340 3.223,341 4.363,342 3.54,343 6.278,344 3.968,345 2.99,346 4.043,347 0.4,348 9.553,349 2.929,350 4.161,351 3.006,352 6.043,353 3.758,354 2.793,355 3.77,356 0.4,357 8.755,358 2.703,359 4.019,360 2.86,361 5.904,362 3.611,363 2.637,364 3.597,365 0.247,366 7.966,367 2.57,368 3.871,369 2.709,370 5.496,371 3.497,372 2.53,373 3.359,375 7.326,376 2.435,377 3.681,378 2.53,379 5.459,380 3.294,381 2.336,382 3.02,384 7.085,385 2.228,386 3.469,387 2.4,388 4.993,389 3.057,390 2.073,391 2.739,393 5.822,394 2.028,395 3.355,396 2.108,397 4.779,398 2.935,399 1.966,400 2.629,402 5.319,403 1.898,404 3.073,405 2.011,406 4.541,407 2.593,408 1.63,409 2.305,411 4.477,412 1.565,413 2.751,414 1.685,415 4.482,416 2.404,417 1.47,418 1.865,420 3.735,421 1.364,422 2.736,423 1.321,424 4.081,425 2.249,426 1.287,427 1.812,428 3.378,429 1.235,430 2.604,431 1.147,432 3.705,433 2.097,434 1.123,435 1.653,436 2.588,437 1.092,438 2.5,439 1.096,440 3.496,441 2,442 1,443 1.5,445 2.506,446 1,447 2.5,448 1.072,449 3.456,450 1.976,451 1,452 1.5,454 2.401,455 0.974,456 2.435,457 1,458 3.414,459 1.937,460 1,461 1.349,463 2.275,464 0.934,465 17.633,466 0.477,467 1.091,468 0.029,469 53.75,470 1.453,471 29.5,472 0.797,473 24.25,474 0.655,475 28.684,476 0.775,477 39.367,478 0.615,479 47.237,480 1.277,481 10.741,482 0.29,483 6.927,484 0.187,485 0.17,486 0.047,487 0.306,493 0.658,494 1.442,495 0.805,496 1.212,497 0.663,498 0.948,499 0.604,500 0.833,501 0.751,502 0.756,503 0.546,504 0.764,505 1.066,506 1.29,507 1.362,508 1.366,509 0.925,510 1.106,511 1.567,512 1.082,513 1.195,514 1.042,515 1.691,516 1.008,517 1.14,518 0.972,519 0.986,520 0.91,521 1.159,522 0.97,523 0.898,524 1.151,525 0.951,526 1.062,527 0.84,528 1.159,529 0.448,530 0.772,531 0.68,532 0.749,533 0.367,534 0.837,535 0.691,536 1.02,537 0.778,538 0.902,539 0.558,540 0.877,541 9.5,542 0.31,543 4.889,544 2.563,545 1.898,546 1.319,547 0.929,548 0.549,549 0.44,550 0.411,551 21984,552 66771,553 2.016,554 42.2,555 3,556 19,558 2,559 3,564 1.778,565 1.858,566 3.882,567 0.836,573 109,574 1.703,575 3.726,576 4.605,577 5.347,578 5.422,579 5.422,580 3.371,581 4.831,582 5.178,583 4.085,584 2720.7,585 9.096,586 46008.6,591 384,592 1.621,593 5.118,594 0.237,595 0.008,596 0.086,597 0.042,598 0.034,599 0.024,600 0.02,601 0.012,602 0.01,603 0.01,604 0.483,605 0.33,606 0.75,607 1.191,608 206.827,609 0.025,610 -0.232,611 0.174,612 -0.099,613 -0.145,614 0.002,615 0.316,616 0.295,617 0.175,618 0.227,619 0.232,620 0.166,621 -0.149,622 -0.173,623 -0.204,624 -0.197,625 -0.011,626 -0.126,627 -0.287,628 -0.098,629 -0.169,630 -0.039,631 -0.229,632 -0.052,633 -0.093,634 0.03,635 -0.093,636 0.017,637 -0.091,638 -0.016,639 -0.104,640 -0.153,641 -0.12,642 -0.146,643 -0.13,644 -0.182,645 0.262,646 0.168,647 0.222,648 0.163,649 0.174,650 0.18,651 0.068,652 -0.025,653 0.148,654 0.061,655 0.092,656 0.123,657 4.51,658 5.665,659 0.649,660 47.92,661 1.009,662 1.128,663 1.924,664 3.7,665 0.682,666 3.714,667 4.06,668 4.304,669 4.5,670 4.736,671 4.762,672 4.942,673 5.056,674 5.147,675 5.263,676 8.929,677 0.652,678 517.67,679 3.714,680 5.273,681 6.12,682 7,683 7.866,684 8.748,685 9.62,686 10.502,687 11.377,688 12.261,689 10.9,692 1,696 2,697 1,699 3,704 12,705 3,709 9,711 24,724 1,731 64,733 27,734 2,735 40,737 67,738 26,739 21,740 5,741 7,746 4,747 4,751 1,752 1,761 22,762 4,766 3,769 1,771 3,775 1,781 27,782 10,783 3,784 11,785 1,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 4,848 37,852 1,855 3,859 1,870 4.7,873 3,877 19.917,878 12.717,879 8.083,880 3.461,881 4.835,882 1.579,883 0.992,884 7.84,885 13.179,886 4.025,887 4.663,888 5.204,889 5.745,890 6.319,891 6.546,892 7.036,893 7.429,894 7.824,895 8.241,896 1,897 61,898 13.846,900 6.047,901 7.908,902 25.575,904 20.552,905 2.408,906 89.083,910 282.506,911 180.988,912 105.907,914 69.458,916 5.807,917 175.181,918 351.964,919 105.907,920 34.014,921 36.022,922 100.57,923 143.357,924 59.759,925 6.175,926 258.964,928 282.506,929 281.088,930 69.458,931 5.807,933 282.506,934 69.458,937 89.883,938 140.848,939 56.164,941 282.506,942 175.365,943 180.988,945 5.807,946 282.506,947 28.309,948 148.39,949 54.032,950 119.814,951 282.506,952 175.365,953 180.988,955 0.591,956 0.346,957 0.168,958 0.093,959 26,960 13,961 0.104,962 7,964 1,965 4.644,966 349.456,968 24,969 184.75,973 1,974 26.238,975 11.055,976 6.12,978 175.365,979 21.362,980 13.375,984 5.56,986 54.032,987 638.86,988 55,991 -3.593,993 36.832,997 -0.29,999 64.607,1000 72.188,1001 0.284,1002 0.621,1003 0.768,1004 0.891,1005 0.904,1006 0.904,1007 5.268,1008 1.966,1009 6.142,1010 5.822,1011 4.745,1012 5.352,1013 1.863,1014 6.987,1015 4.661,1016 6.513,1017 1.63,1018 7.738,1019 5.319,1020 4.511,1021 5.359,1022 1.195,1023 8.167,1024 4.363,1025 7.857,1026 1.47,1027 9.447,1028 4.477,1029 6.415,1030 7.64,1031 2.424,1032 11.223,1033 6.23,1034 9.242,1035 1.287,1036 11.228,1037 3.735,1038 6.986,1039 8.45,1040 2.324,1041 13.291,1042 6.712,1043 10.663,1044 1.123,1045 13.061,1046 3.378,1047 8.42,1048 10.261,1049 3.244,1050 15.982,1051 8.104,1052 12.111,1053 1,1054 14.934,1055 2.588,1056 9.35,1057 11.444,1058 3.407,1059 18.397,1060 8.932,1061 13.581,1062 1,1063 16.838,1064 2.506,1065 10.625,1066 13.081,1067 4.156,1068 21.011,1069 10.149,1070 3.522,1071 1,1072 18.768,1073 2.401,1074 11.72,1075 14.448,1076 4.464,1077 23.551,1078 11.138,1079 2.99,1080 13.597,1081 20.72,1082 2.275,1083 12.951,1084 16.02,1085 5.111,1086 26.154,1087 12.293,1088 2.793,1089 9.553,1090 22.688,1091 4.793,1092 14.123,1093 17.481,1094 5.504,1095 28.738,1096 13.359,1097 2.637,1098 8.755,1099 24.671,1100 4.043,1101 15.347,1102 19.032,1103 6.091,1104 31.342,1105 14.496,1106 2.53,1107 7.966,1108 26.665,1109 3.77,1110 16.556,1111 20.54,1112 6.531,1113 33.942,1114 15.601,1115 2.336,1116 7.326,1117 28.669,1118 3.597,1119 17.787,1120 22.089,1121 7.083,1122 36.549,1123 16.737,1124 2.073,1125 7.085,1126 30.679,1127 3.359,1128 19.016,1129 23.622,1130 7.551,1131 39.155,1132 17.863,1133 21349,1134 37380,1135 25.948,1136 43.665,1137 60.237,1138 62.182,1139 62.445,1140 59.966,1141 59.988,1142 81.303,1143 5.406,1144 175.99,1145 57.55,1146 5.747,1147 6.742,1148 7.229,1149 5.517,1150 5.522,1151 7.793,1152 2.912,1153 21.603,1154 5.223,1155 22.774,1156 1.506,1157 1.555,1158 1.561,1159 1.499,1160 1.5,1161 2.033,1162 0.135,1163 4.4,1164 1.439,1165 4.106,1166 4.106,1167 4.741,1168 4.084,1169 7.715,1170 4.011,1171 4.01,1172 4.027,1173 3.987,1174 3.94,1175 7.431,1176 3.935,1177 3.862,1178 3.9,1179 3.834,1180 3.754,1181 6.999,1182 3.76,1183 3.718,1184 3.75,1185 3.735,1186 3.606,1187 5.046,1188 3.561,1189 3.634,1190 3.683,1191 3.59,1192 3.475,1193 4.874,1194 3.485,1195 3.52,1196 3.587,1197 3.432,1198 3.237,1199 4.686,1200 3.278,1201 3.238,1202 3.311,1203 3.101,1204 3.068,1205 4.636,1206 3.061,1207 3.196,1208 3.242,1209 3.066,1210 2.995,1211 4.211,1212 2.958,1213 0.124,1214 0.119,1215 0.192,1216 0.111,1217 0.088,1218 4.95,1219 0.12,1220 4.742,1221 0.041,1222 7.677,1223 0.34,1224 4.445,1225 0.081,1226 3.522,1227 4.793,1228 1.656,1229 13.597,1230 3.223,1231 1.991,1232 1.991,1233 2.059,1234 2.087,1235 1.243,1236 2.098,1237 1.97,1238 1.949,1239 2.015,1240 2.05,1241 1.157,1242 2.064,1243 1.819,1244 1.787,1245 1.911,1246 1.952,1247 0.983,1248 1.945,1249 1.61,1250 1.585,1251 1.752,1252 1.818,1253 0.886,1254 1.826,1255 1.558,1256 1.517,1257 1.711,1258 1.769,1259 0.695,1260 1.761,1261 1.418,1262 1.342,1263 1.682,1264 1.703,1265 0.675,1266 1.701,1267 1.231,1268 1.158,1269 1.535,1270 1.445,1271 0.601,1272 1.478,1273 1.118,1274 1.078,1275 1.417,1276 1.328,1277 0.469,1278 1.382,1279 4.394,1281 5.733,1283 7.266,1285 8.881,1287 10.539,1289 6.312,1296 8.342,1300 1.184,1305 41.749,1306 109,1307 238.477,1308 294.742,1309 342.226,1310 346.98,1311 346.98,1312 79.952,1313 8.345,1314 129.21,1315 137.59,1316 24,1317 12.796,1318 4.807,1319 4,1320 65.13,1321 198,1322 223,1323 0.158,1324 263.221,1325 452.88,1326 634.02,1327 58024,1329 26.579,1330 0.718,1331 0.586,1332 26.829,1333 21.667,1334 17.667,1335 0.442,1336 0.32,1337 11.303,1338 16.142,1339 10.769,1340 9.064,1341 18.456,1342 12.8,1343 16.484,1344 0.289,1345 0.184,1346 17.869,1347 10.49,1348 13.651,1349 0.187,1350 0.103,1351 15.074,1352 7.537,1353 10.289,1354 0.116,1355 0.052,1356 11.146,1357 4.671,1358 8.577,1359 0.076,1360 0.028,1361 9.209,1362 3.176,1363 0.255,1364 118.879,1365 0.196,1366 34.152,1367 0.414,1368 194,1369 603.646,1370 253.481,1371 610.497,1372 831.51,1373 564,1374 227,1375 587.628,1376 291.49,1377 638.052,1378 923.7,1379 595,1380 7.215}
{0 CHEMBL2158862,1 1.724,2 15.306,3 3.574,4 12.771,5 137.277,6 8.256,7 0.615,8 4.216,9 4.33,10 3.981,11 3.777,12 5.374,13 3.754,14 4.708,15 4.868,16 4.273,17 4.138,18 6.054,19 4.099,20 4.908,21 5.078,22 4.329,23 4.287,24 6.119,25 4.229,26 5.009,27 5.192,28 4.28,29 4.278,30 6.248,31 4.218,32 5.02,33 5.232,34 4.212,35 4.246,36 6.224,37 4.18,38 4.934,39 5.151,40 4.105,41 4.187,42 6.012,43 4.101,44 4.898,45 5.15,46 4.078,47 4.113,48 6.015,49 4.014,50 4.748,51 4.968,52 4.037,53 4.036,54 5.892,55 3.962,56 0.14,57 0.983,58 13.442,59 5.279,60 18.772,61 6.171,62 0.566,63 1.489,64 22.228,65 8.686,66 65.193,67 10.74,68 0.389,69 1.752,70 30.597,71 11.249,72 54.239,73 13.224,74 0.573,75 1.832,76 34.899,77 11.791,78 86.656,79 13.997,80 0.707,81 1.813,82 34.548,83 11.624,84 93.097,85 14.794,86 0.496,87 1.709,88 30.125,89 10.45,90 64.484,91 14.073,92 0.609,93 1.614,94 31.092,95 10.888,96 68.995,97 15.235,98 0.377,99 1.433,100 25.881,101 9.237,102 45.825,103 12.168,104 46,105 55,106 0.274,107 0.599,108 0.748,109 0.865,110 0.878,111 0.878,112 3.615,113 0.959,114 -2.95,115 -2.95,116 -2.85,119 41,120 1,124 2,142 10,143 3,144 3,145 2,146 2,150 1,159 1,172 9,174 2,175 6,178 6,179 1,180 4,183 11,187 9,192 5,195 10,199 13,204 8,207 5,211 1,212 10,215 2,216 1,217 6,220 5,224 5,227 1,229 2,232 8,236 5,237 5,240 3,242 2,245 8,249 1,250 3,253 1,255 4,258 4,263 9,266 1,268 6,271 6,275 2614,276 24.09,277 24.09,278 24.09,279 24.09,280 24.09,281 20.851,282 22.078,283 13.941,284 24.602,285 19.091,286 19.091,287 19.091,288 19.091,289 19.091,290 14.037,291 31.168,292 6.471,293 19.899,294 4.207,295 2.156,296 1.217,297 0.476,298 0.398,299 0.398,300 4.307,305 1,306 1165,307 4.183,311 502.807,318 2.6,319 40.441,322 0.75,323 0.67,324 0.83,325 0.5,327 0.67,328 0.5,329 0.56,330 78.5,331 551,332 4.881,333 4.705,334 7.386,335 4.344,336 3.423,337 4.742,338 1.656,339 12.763,340 3.126,341 4.362,342 3.54,343 6.278,344 3.968,345 2.99,346 4.043,347 0.4,348 9.553,349 2.928,350 4.159,351 3.005,352 6.042,353 3.756,354 2.79,355 3.769,356 0.247,357 8.754,358 2.702,359 3.997,360 2.853,361 5.685,362 3.575,363 2.609,364 3.576,366 7.783,367 2.52,368 3.867,369 2.686,370 5.469,371 3.487,372 2.516,373 3.357,375 7.317,376 2.431,377 3.675,378 2.482,379 5.428,380 3.265,381 2.301,382 3.018,384 6.884,385 2.207,386 3.466,387 2.384,388 4.979,389 3.053,390 2.067,391 2.734,393 5.779,394 2.026,395 3.35,396 2.083,397 4.779,398 2.928,399 1.955,400 2.626,402 5.319,403 1.894,404 3.072,405 1.685,406 4.482,407 2.593,408 1.63,409 2.305,411 4.477,412 1.565,413 2.751,414 1.453,415 4.167,416 2.249,417 1.287,418 1.865,420 3.381,421 1.235,422 2.667,423 1.32,424 4.08,425 2.177,426 1.191,427 1.727,428 3.205,429 1.169,430 2.604,431 1.147,432 3.496,433 2.097,434 1.123,435 1.653,436 2.588,437 1.092,438 2.5,439 1.096,440 3.456,441 2,442 1,443 1.5,445 2.401,446 1,447 2.5,448 1,449 3.414,450 1.937,451 1,452 1.5,454 2.275,455 0.934,456 1.55,457 1,458 3.176,459 1.334,460 0.404,461 0.443,463 0.661,464 0.373,465 17.133,466 0.476,467 0.974,468 0.027,469 53,470 1.472,471 29.5,472 0.819,473 23.5,474 0.653,475 26.741,476 0.743,477 38.067,478 0.624,479 45.385,480 1.261,481 10.58,482 0.294,483 6.704,484 0.186,485 0.146,486 0.049,487 0.292,493 0.676,494 1.37,495 0.803,496 1.169,497 0.671,498 0.907,499 0.556,500 0.903,501 0.809,502 0.865,503 0.532,504 0.84,505 1.085,506 1.175,507 1.149,508 1.141,509 0.968,510 1.006,511 1.386,512 1.19,513 1.221,514 1.157,515 1.403,516 1.093,517 1.145,518 0.954,519 0.983,520 0.893,521 1.164,522 0.957,523 0.939,524 1.075,525 0.922,526 0.979,527 0.868,528 1.078,529 0.432,530 0.811,531 0.684,532 0.783,533 0.373,534 0.868,535 0.738,536 0.993,537 0.832,538 0.913,539 0.593,540 0.909,541 9,542 0.264,543 4.444,544 2.438,545 1.738,546 1.236,547 0.889,548 0.486,549 0.415,550 0.392,551 20567,552 64360,553 2.033,554 41,555 3,556 16,558 2,559 4,564 1.771,565 1.886,566 3.865,567 1.55,573 105.176,574 1.724,575 3.775,576 4.714,577 5.455,578 5.533,579 5.533,580 3.356,581 4.725,582 5.138,583 4.063,584 2559.57,585 9.016,586 42458.5,591 361.775,592 1.574,593 5.086,594 0.231,595 0.007,596 0.081,597 0.042,598 0.032,599 0.024,600 0.02,601 0.011,602 0.01,603 0.01,604 0.467,605 0.17,606 0.75,607 1.181,608 199.637,609 0.003,610 -0.168,611 0.167,612 -0.066,613 -0.154,614 0.026,615 0.332,616 0.215,617 0.1,618 0.122,619 0.25,620 0.086,621 -0.165,622 -0.101,623 -0.115,624 -0.069,625 -0.056,626 -0.041,627 -0.254,628 -0.171,629 -0.215,630 -0.143,631 -0.178,632 -0.142,633 -0.095,634 0.029,635 -0.079,636 0.03,637 -0.096,638 0.001,639 -0.117,640 -0.085,641 -0.078,642 -0.071,643 -0.134,644 -0.104,645 0.28,646 0.145,647 0.209,648 0.134,649 0.183,650 0.148,651 0.03,652 0.012,653 0.088,654 0.047,655 0.064,656 0.083,657 4.514,658 5.297,659 0.667,660 46.302,661 1.012,662 1.127,663 1.719,664 2.956,665 0.687,666 3.689,667 4.025,668 4.263,669 4.477,670 4.71,671 4.736,672 4.92,673 5.024,674 5.124,675 5.236,676 8.787,677 0.659,678 503.64,679 3.689,680 5.242,681 6.084,682 6.963,683 7.822,684 8.703,685 9.568,686 10.449,687 11.317,688 12.199,689 11.5,691 1,696 2,697 1,699 3,704 12,705 3,709 9,711 24,724 1,731 61,733 27,734 2,735 39,737 64,738 25,739 21,740 5,741 7,746 4,747 4,751 1,752 1,761 22,762 3,766 3,769 1,771 3,775 1,781 25,782 10,783 4,784 11,785 1,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 3,848 36,852 1,855 4,870 4.9,873 3,877 19.083,878 11.767,879 7.958,880 3.319,881 4.83,882 1.583,883 1.001,884 7.605,885 13.113,886 4.007,887 4.644,888 5.176,889 5.735,890 6.308,891 6.533,892 7.025,893 7.413,894 7.815,895 8.232,896 1,897 58,898 13.455,900 5.88,901 7.933,902 24.793,904 19.922,905 2.433,906 87.583,910 247.193,911 172.592,912 120.794,914 69.458,916 5.807,917 166.785,918 316.651,919 120.794,920 25.618,921 36.022,922 116.975,923 143.357,924 58.24,925 6.175,926 223.651,928 247.193,929 287.578,930 69.458,931 5.807,933 247.193,934 69.458,937 104.77,938 132.452,939 56.164,941 247.193,942 190.252,943 172.592,945 5.807,946 247.193,947 28.309,948 138.475,949 70.437,950 119.814,951 247.193,952 190.252,953 172.592,955 0.585,956 0.341,957 0.171,958 0.094,959 25,960 12,961 0.109,962 7,964 1,965 4.602,966 335.317,968 24,969 180.117,973 1,974 25.267,975 10.835,976 6.064,978 190.252,979 21.264,980 13.327,984 5.483,986 70.437,987 610.037,988 54,991 -3.598,993 36.082,997 -0.29,999 61.723,1000 68.773,1001 0.291,1002 0.636,1003 0.795,1004 0.92,1005 0.933,1006 0.933,1007 5.242,1008 1.955,1009 6.098,1010 5.779,1011 4.71,1012 5.333,1013 1.812,1014 6.929,1015 4.628,1016 6.485,1017 1.63,1018 7.679,1019 5.319,1020 4.443,1021 5.33,1022 1.195,1023 8.061,1024 4.299,1025 7.827,1026 1.287,1027 9.368,1028 4.477,1029 6.368,1030 7.622,1031 2.419,1032 11.08,1033 6.186,1034 9.209,1035 1.191,1036 11.125,1037 3.381,1038 6.899,1039 8.415,1040 2.324,1041 13.062,1042 6.63,1043 10.624,1044 1.123,1045 12.929,1046 3.205,1047 8.336,1048 10.23,1049 3.244,1050 15.699,1051 8.028,1052 12.064,1053 1,1054 14.768,1055 2.588,1056 9.224,1057 11.393,1058 3.407,1059 18.023,1060 8.816,1061 13.524,1062 1,1063 16.635,1064 2.401,1065 10.488,1066 13.027,1067 4.156,1068 20.57,1069 10.028,1070 3.423,1071 0.404,1072 18.524,1073 2.275,1074 11.543,1075 14.376,1076 4.464,1077 23.028,1078 10.979,1079 2.99,1080 12.763,1081 20.432,1082 0.661,1083 12.751,1084 15.941,1085 5.111,1086 25.561,1087 12.118,1088 2.79,1089 9.553,1090 22.356,1091 4.742,1092 13.885,1093 17.385,1094 5.504,1095 28.071,1096 13.15,1097 2.609,1098 8.754,1099 24.293,1100 4.043,1101 15.081,1102 18.928,1103 6.091,1104 30.606,1105 14.264,1106 2.516,1107 7.783,1108 26.24,1109 3.769,1110 16.254,1111 20.421,1112 6.531,1113 33.136,1114 15.335,1115 2.301,1116 7.317,1117 28.197,1118 3.576,1119 17.453,1120 21.958,1121 7.083,1122 35.676,1123 16.443,1124 2.067,1125 6.884,1126 30.161,1127 3.357,1128 18.647,1129 23.477,1130 7.551,1131 38.215,1132 17.535,1133 19931,1134 35433,1135 25.542,1136 41.904,1137 57.763,1138 60.167,1139 60.458,1140 57.757,1141 57.82,1142 79.111,1143 4.606,1144 168.421,1145 55.57,1146 5.675,1147 6.705,1148 6.938,1149 5.416,1150 5.423,1151 7.742,1152 2.912,1153 20.335,1154 5.126,1155 20.839,1156 1.481,1157 1.543,1158 1.55,1159 1.481,1160 1.483,1161 2.028,1162 0.118,1163 4.318,1164 1.425,1165 4.098,1166 4.1,1167 4.735,1168 4.076,1169 7.717,1170 4.005,1171 4.009,1172 4.024,1173 3.987,1174 3.94,1175 7.431,1176 3.934,1177 3.86,1178 3.898,1179 3.833,1180 3.754,1181 6.999,1182 3.759,1183 3.702,1184 3.735,1185 3.734,1186 3.589,1187 5.046,1188 3.543,1189 3.623,1190 3.657,1191 3.589,1192 3.472,1193 4.874,1194 3.469,1195 3.52,1196 3.586,1197 3.432,1198 3.237,1199 4.686,1200 3.278,1201 3.225,1202 3.307,1203 3.081,1204 3.063,1205 4.636,1206 3.055,1207 3.111,1208 3.184,1209 2.927,1210 2.9,1211 4.21,1212 2.896,1213 0.125,1214 0.121,1215 0.189,1216 0.111,1217 0.088,1218 4.881,1219 0.122,1220 4.705,1221 0.042,1222 7.386,1223 0.327,1224 4.344,1225 0.08,1226 3.423,1227 4.742,1228 1.656,1229 12.763,1230 3.126,1231 1.989,1232 1.987,1233 2.059,1234 2.086,1235 1.229,1236 2.094,1237 1.969,1238 1.949,1239 2.015,1240 2.046,1241 1.156,1242 2.062,1243 1.819,1244 1.787,1245 1.911,1246 1.949,1247 0.982,1248 1.943,1249 1.595,1250 1.562,1251 1.712,1252 1.803,1253 0.762,1254 1.792,1255 1.512,1256 1.499,1257 1.683,1258 1.729,1259 0.694,1260 1.745,1261 1.418,1262 1.342,1263 1.656,1264 1.697,1265 0.674,1266 1.699,1267 1.229,1268 1.154,1269 1.535,1270 1.444,1271 0.6,1272 1.478,1273 1.07,1274 0.997,1275 1.265,1276 1.318,1277 0.423,1278 1.364,1279 4.369,1281 5.7,1283 7.226,1285 8.833,1287 10.482,1289 4.665,1296 10.651,1305 40.222,1306 105.176,1307 230.252,1308 287.536,1309 332.755,1310 337.51,1311 337.51,1312 75.159,1313 8.282,1314 138,1315 146.38,1316 24,1317 12.736,1318 4.807,1319 4,1320 62.415,1321 189,1322 212,1323 0.158,1324 253.629,1325 435.58,1326 610.615,1327 53662,1329 25.709,1330 0.714,1331 0.576,1332 25.959,1333 20.719,1334 17.284,1335 0.443,1336 0.32,1337 10.946,1338 15.795,1339 10.48,1340 8.796,1341 18.105,1342 12.47,1343 15.85,1344 0.288,1345 0.175,1346 17.207,1347 9.645,1348 13.122,1349 0.187,1350 0.099,1351 14.281,1352 6.936,1353 10.175,1354 0.117,1355 0.051,1356 10.976,1357 4.446,1358 8.429,1359 0.077,1360 0.027,1361 8.988,1362 2.931,1363 0.256,1364 116.716,1365 0.198,1366 33.427,1367 0.415,1368 188,1369 592.334,1370 243.78,1371 599.206,1372 815.81,1373 554,1374 219,1375 576.557,1376 280.045,1377 622.667,1378 901.65,1379 583,1380 7.367}
{0 CHEMBL2158863,1 1.664,2 16.154,3 4.807,4 23.109,5 152.068,6 7.796,7 0.571,8 4.336,9 4.456,10 4.047,11 3.887,12 5.446,13 3.852,14 4.854,15 5.032,16 4.361,17 4.253,18 6.106,19 4.198,20 5.07,21 5.258,22 4.475,23 4.432,24 6.195,25 4.357,26 5.197,27 5.375,28 4.442,29 4.466,30 6.434,31 4.39,32 5.27,33 5.49,34 4.342,35 4.443,36 6.456,37 4.364,38 5.137,39 5.358,40 4.255,41 4.403,42 6.154,43 4.299,44 5.159,45 5.416,46 4.202,47 4.35,48 6.193,49 4.219,50 5.06,51 5.327,52 4.135,53 4.231,54 6.063,55 4.12,56 0.11,57 1.101,58 16.556,59 6.252,60 18.882,61 7.874,62 0.574,63 1.695,64 27.672,65 10.269,66 64.189,67 13.451,68 0.372,69 2.044,70 40.06,71 13.644,72 53.898,73 16.766,74 0.572,75 2.18,76 48.618,77 15.519,78 103.391,79 18.415,80 0.919,81 2.189,82 46.902,83 15.075,84 142.949,85 19.633,86 0.442,87 2.069,88 37.964,89 13.5,90 65.277,91 18.958,92 0.61,93 2.045,94 40.618,95 14.467,96 76.224,97 20.734,98 0.464,99 1.828,100 38.935,101 12.745,102 62.812,103 18.124,104 67,105 59,106 0.258,107 0.582,108 0.748,109 0.834,110 0.845,111 0.845,112 3.693,113 0.997,114 -3.55,115 -3.53,116 -3.36,119 40,120 3,124 1,125 2,142 10,143 3,144 3,145 2,146 2,150 1,159 1,172 9,174 4,175 8,178 4,179 1,180 4,183 11,187 11,192 3,195 10,199 19,204 6,207 6,211 1,212 11,215 3,217 5,220 9,224 5,227 1,229 2,232 12,236 7,237 5,240 1,242 4,245 10,249 1,250 3,253 1,255 4,258 4,263 15,266 1,268 4,271 6,275 3166,276 26.192,277 26.192,278 26.192,279 26.192,280 26.192,281 22.976,282 28.373,283 15.186,284 26.829,285 20.511,286 20.511,287 20.511,288 20.511,289 20.511,290 15.512,291 40.266,292 6.92,293 21.416,294 4.466,295 2.368,296 1.3,297 0.74,298 0.672,299 0.672,300 4.383,305 1,306 1323,307 4.637,311 553.103,318 2.679,319 44.248,322 0.75,323 0.67,324 0.67,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84.5,331 630,332 4.961,333 4.746,334 7.719,335 4.467,336 3.543,337 4.798,338 1.656,339 13.87,340 3.247,341 4.363,342 3.54,343 6.278,344 3.968,345 2.99,346 4.044,347 0.4,348 9.553,349 2.929,350 4.161,351 3.006,352 6.044,353 3.759,354 2.794,355 3.77,356 0.4,357 8.757,358 2.704,359 4.026,360 2.866,361 5.99,362 3.627,363 2.651,364 3.601,365 0.247,366 8.155,367 2.588,368 3.872,369 2.734,370 5.509,371 3.5,372 2.535,373 3.359,375 7.342,376 2.436,377 3.683,378 2.576,379 5.461,380 3.308,381 2.354,382 3.02,384 7.202,385 2.237,386 3.47,387 2.411,388 5.012,389 3.06,390 2.078,391 2.741,393 5.871,394 2.03,395 3.358,396 2.24,397 4.798,398 2.943,399 1.978,400 2.63,402 5.321,403 1.902,404 3.073,405 2.072,406 4.777,407 2.68,408 1.739,409 2.306,411 4.671,412 1.622,413 2.938,414 1.685,415 4.482,416 2.593,417 1.629,418 1.981,420 4.476,421 1.565,422 2.751,423 1.321,424 4.081,425 2.249,426 1.287,427 1.865,428 3.379,429 1.235,430 2.608,431 1.16,432 3.934,433 2.097,434 1.123,435 1.653,436 2.906,437 1.092,438 2.604,439 1.147,440 3.496,441 2.088,442 1.095,443 1.601,445 2.588,446 1.085,447 2.5,448 1.096,449 3.456,450 2,451 1,452 1.5,454 2.401,455 1,456 2.5,457 1,458 3.414,459 1.937,460 1,461 1.5,463 2.275,464 0.934,465 18.633,466 0.478,467 1.015,468 0.026,469 54.75,470 1.404,471 29.5,472 0.756,473 25.25,474 0.647,475 33.401,476 0.856,477 41.967,478 0.6,479 48.339,480 1.239,481 10.716,482 0.275,483 8.027,484 0.206,485 0.161,486 0.045,487 0.29,493 0.653,494 1.447,495 0.825,496 1.225,497 0.659,498 0.98,499 0.575,500 0.952,501 0.769,502 0.851,503 0.531,504 0.848,505 1.096,506 1.118,507 1.192,508 1.119,509 0.924,510 0.93,511 1.542,512 1.256,513 1.521,514 1.384,515 1.61,516 1.138,517 1.526,518 0.875,519 1.032,520 0.824,521 1.741,522 0.922,523 0.846,524 1.111,525 0.91,526 1.027,527 0.79,528 1.107,529 0.423,530 0.942,531 0.764,532 0.923,533 0.363,534 1.008,535 0.68,536 0.9,537 0.753,538 0.81,539 0.516,540 0.818,541 9.5,542 0.326,543 5.111,544 3.188,545 1.898,546 1.431,547 0.97,548 0.604,549 0.44,550 0.411,551 25150,552 72149,553 2.016,554 44.3,555 3,556 17,558 2,559 3,561 6,564 1.791,565 1.865,566 3.944,567 0.799,573 116.457,574 1.664,575 3.761,576 4.829,577 5.39,578 5.458,579 5.458,580 3.423,581 4.926,582 5.254,583 4.142,584 3069.14,585 9.25,586 53964.9,591 429.05,592 1.589,593 5.198,594 0.226,595 0.008,596 0.087,597 0.049,598 0.03,599 0.024,600 0.018,601 0.012,602 0.009,603 0.009,604 0.473,605 0.33,606 0.75,607 1.304,608 221.52,609 0.037,610 -0.22,611 0.171,612 -0.092,613 -0.132,614 0.002,615 0.341,616 0.176,617 0.169,618 0.145,619 0.243,620 0.103,621 -0.133,622 -0.007,623 -0.019,624 0.022,625 -0.023,626 0.057,627 -0.252,628 -0.195,629 -0.29,630 -0.222,631 -0.132,632 -0.159,633 -0.193,634 0.081,635 -0.105,636 0.097,637 -0.213,638 0.026,639 -0.077,640 -0.108,641 -0.076,642 -0.096,643 -0.1,644 -0.119,645 0.243,646 0.018,647 0.101,648 -0.001,649 0.147,650 -0.002,651 0.07,652 0.055,653 0.185,654 0.131,655 0.087,656 0.186,657 4.534,658 6.127,659 0.615,660 52.212,661 1.005,662 1.129,663 2.323,664 5.396,665 0.674,666 3.761,667 4.094,668 4.357,669 4.575,670 4.771,671 4.812,672 4.984,673 5.094,674 5.204,675 5.303,676 9.256,677 0.64,678 545.73,679 3.761,680 5.313,681 6.163,682 7.045,683 7.911,684 8.796,685 9.669,686 10.556,687 11.433,688 12.321,689 10,692 1,696 2,697 1,699 3,704 12,705 3,709 9,711 24,724 1,731 70,733 27,734 2,735 42,737 73,738 28,739 21,740 5,741 7,746 4,747 4,751 1,752 3,761 22,762 6,766 3,769 1,771 3,775 1,781 31,782 10,783 3,784 11,785 1,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 4,848 39,852 1,854 2,855 3,859 1,870 4.3,873 3,877 20.917,878 13.717,879 8.75,880 4.261,881 4.841,882 1.572,883 0.985,884 8.926,885 13.301,886 4.06,887 4.682,888 5.226,889 5.779,890 6.329,891 6.563,892 7.052,893 7.444,894 7.845,895 8.253,896 0.909,897 65,898 14.635,900 6.359,901 7.861,902 27.208,904 21.862,905 2.361,906 92.083,910 329.591,911 186.058,912 105.907,914 69.458,916 5.807,917 180.25,918 399.049,919 105.907,920 34.872,921 40.233,922 100.57,923 143.357,924 59.759,925 6.175,926 306.049,928 329.591,929 286.157,930 69.458,931 5.807,933 258.964,934 140.084,937 111.745,938 124.056,939 56.164,941 329.591,942 175.365,943 186.058,945 5.807,946 329.591,947 32.521,948 149.248,949 54.032,950 119.814,951 329.591,952 175.365,953 186.058,955 0.581,956 0.35,957 0.182,958 0.092,959 26,960 13,961 0.123,962 9,964 1,965 4.779,966 375.228,968 24,969 196.131,973 1,974 28.184,975 12.351,976 6.605,978 175.365,979 21.505,980 13.454,984 5.653,986 54.032,987 691.014,988 57,991 -3.617,993 37.782,997 -0.288,999 70.374,1000 79.019,1001 0.271,1002 0.614,1003 0.788,1004 0.879,1005 0.89,1006 0.89,1007 5.298,1008 1.978,1009 6.176,1010 5.871,1011 4.779,1012 5.371,1013 1.863,1014 7.026,1015 4.694,1016 6.534,1017 1.739,1018 7.77,1019 5.321,1020 4.511,1021 5.359,1022 1.195,1023 8.209,1024 4.363,1025 7.875,1026 1.629,1027 9.479,1028 4.671,1029 6.447,1030 7.649,1031 2.424,1032 11.284,1033 6.26,1034 9.258,1035 1.287,1036 11.261,1037 4.476,1038 7.004,1039 8.454,1040 2.324,1041 13.37,1042 6.73,1043 10.678,1044 1.123,1045 13.096,1046 3.379,1047 8.451,1048 10.267,1049 3.244,1050 16.083,1051 8.134,1052 12.125,1053 1.095,1054 14.972,1055 2.906,1056 9.38,1057 11.45,1058 3.407,1059 18.52,1060 8.961,1061 13.596,1062 1,1063 16.88,1064 2.588,1065 10.662,1066 13.087,1067 4.156,1068 21.157,1069 10.185,1070 3.543,1071 1,1072 18.815,1073 2.401,1074 11.762,1075 14.456,1076 4.464,1077 23.719,1078 11.179,1079 2.99,1080 13.87,1081 20.771,1082 2.275,1083 12.998,1084 16.028,1085 5.111,1086 26.345,1087 12.339,1088 2.794,1089 9.553,1090 22.745,1091 4.798,1092 14.176,1093 17.49,1094 5.504,1095 28.95,1096 13.413,1097 2.651,1098 8.757,1099 24.733,1100 4.044,1101 15.408,1102 19.043,1103 6.091,1104 31.577,1105 14.556,1106 2.535,1107 8.155,1108 26.733,1109 3.77,1110 16.624,1111 20.553,1112 6.531,1113 34.197,1114 15.669,1115 2.354,1116 7.342,1117 28.742,1118 3.601,1119 17.861,1120 22.103,1121 7.083,1122 36.824,1123 16.812,1124 2.078,1125 7.202,1126 30.758,1127 3.359,1128 19.097,1129 23.637,1130 7.551,1131 39.45,1132 17.946,1133 24501,1134 41698,1135 27.334,1136 47.188,1137 62.172,1138 64.412,1139 65.406,1140 62.075,1141 62.111,1142 83.417,1143 5.406,1144 181.547,1145 59.612,1146 5.793,1147 6.746,1148 7.337,1149 5.541,1150 5.543,1151 7.798,1152 2.912,1153 22.087,1154 5.247,1155 23.53,1156 1.48,1157 1.534,1158 1.557,1159 1.478,1160 1.479,1161 1.986,1162 0.129,1163 4.323,1164 1.419,1165 4.113,1166 4.112,1167 4.743,1168 4.089,1169 7.715,1170 4.016,1171 4.01,1172 4.029,1173 3.987,1174 3.94,1175 7.431,1176 3.936,1177 3.863,1178 3.903,1179 3.834,1180 3.754,1181 6.999,1182 3.76,1183 3.74,1184 3.781,1185 3.736,1186 3.627,1187 5.047,1188 3.591,1189 3.645,1190 3.702,1191 3.591,1192 3.48,1193 4.874,1194 3.497,1195 3.52,1196 3.588,1197 3.432,1198 3.257,1199 4.686,1200 3.278,1201 3.395,1202 3.407,1203 3.331,1204 3.237,1205 4.636,1206 3.201,1207 3.306,1208 3.403,1209 3.079,1210 3.123,1211 4.216,1212 3.089,1213 0.118,1214 0.113,1215 0.184,1216 0.106,1217 0.084,1218 4.961,1219 0.114,1220 4.746,1221 0.039,1222 7.719,1223 0.33,1224 4.467,1225 0.077,1226 3.543,1227 4.798,1228 1.656,1229 13.87,1230 3.247,1231 1.994,1232 1.995,1233 2.059,1234 2.088,1235 1.274,1236 2.103,1237 1.971,1238 1.949,1239 2.017,1240 2.054,1241 1.157,1242 2.065,1243 1.82,1244 1.788,1245 1.912,1246 1.956,1247 1.086,1248 1.949,1249 1.674,1250 1.633,1251 1.889,1252 1.865,1253 0.982,1254 1.882,1255 1.581,1256 1.529,1257 1.725,1258 1.788,1259 0.869,1260 1.768,1261 1.419,1262 1.342,1263 1.712,1264 1.705,1265 0.695,1266 1.702,1267 1.351,1268 1.278,1269 1.682,1270 1.584,1271 0.675,1272 1.638,1273 1.277,1274 1.256,1275 1.535,1276 1.451,1277 0.605,1278 1.498,1279 4.443,1281 5.771,1283 7.302,1285 8.919,1287 10.581,1289 6.984,1295 0.79,1296 8.388,1300 1.434,1305 44.803,1306 116.457,1307 263.301,1308 338.056,1309 377.275,1310 382.03,1311 382.03,1312 90.399,1313 8.46,1314 129.21,1315 137.59,1316 24,1317 12.853,1318 4.807,1319 4,1320 70.696,1321 218,1322 245,1323 0.157,1324 282.406,1325 487.48,1326 680.831,1327 67262,1329 27.993,1330 0.718,1331 0.592,1332 28.243,1333 23.081,1334 18.743,1335 0.446,1336 0.332,1337 12.464,1338 17.272,1339 11.937,1340 10.022,1341 19.532,1342 13.952,1343 16.843,1344 0.285,1345 0.179,1346 18.143,1347 10.578,1348 14.201,1349 0.184,1350 0.108,1351 15.61,1352 8.336,1353 11.504,1354 0.12,1355 0.06,1356 12.825,1357 5.742,1358 8.744,1359 0.075,1360 0.029,1361 9.459,1362 3.42,1363 0.253,1364 125.166,1365 0.191,1366 35.628,1367 0.41,1368 202,1369 611.646,1370 262.147,1371 617.462,1372 845.77,1373 572,1374 237,1375 602.332,1376 305.164,1377 648.662,1378 945.36,1379 609,1380 6.886}
{0 CHEMBL2158865,1 1.823,2 15.432,3 4.288,4 18.385,5 142.336,6 8.821,7 0.6,8 4.221,9 4.328,10 4.036,11 3.792,12 5.391,13 3.769,14 4.718,15 4.876,16 4.37,17 4.164,18 6.059,19 4.125,20 4.921,21 5.071,22 4.491,23 4.335,24 6.177,25 4.269,26 5.067,27 5.252,28 4.426,29 4.29,30 6.392,31 4.241,32 4.936,33 5.125,34 4.327,35 4.264,36 6.159,37 4.199,38 4.966,39 5.17,40 4.19,41 4.241,42 6.072,43 4.145,44 4.869,45 5.097,46 4.172,47 4.126,48 6.046,49 4.036,50 4.768,51 4.988,52 4.134,53 4.068,54 5.906,55 3.987,56 0.155,57 0.974,58 11.898,59 5.246,60 18.107,61 5.851,62 0.619,63 1.486,64 20.728,65 8.475,66 57.846,67 10.069,68 0.455,69 1.741,70 36.691,71 12.28,72 51.976,73 13.041,74 1.023,75 1.782,76 39.669,77 12.173,78 142.882,79 13.725,80 0.608,81 1.707,82 29.494,83 11.063,84 61.775,85 13.65,86 0.649,87 1.681,88 37.673,89 11.676,90 77.29,91 14.697,92 0.694,93 1.58,94 28.817,95 10.229,96 66.259,97 13.726,98 0.396,99 1.415,100 27.043,101 10.226,102 45.06,103 13.241,104 59,105 57,106 0.289,107 0.6,108 0.721,109 0.845,110 0.857,111 0.857,112 3.642,113 0.965,114 -3.15,115 -3.15,116 -3.02,119 41,124 3,142 10,143 2,144 4,145 2,146 2,150 1,159 1,172 7,174 4,175 6,178 4,179 1,180 4,183 9,187 8,192 3,195 10,199 15,204 5,207 5,211 1,212 11,215 3,217 5,220 5,224 3,227 1,229 2,232 8,236 7,237 5,240 1,242 2,245 8,249 1,250 3,253 1,255 4,258 2,263 11,266 1,268 4,271 4,275 2790,276 24.452,277 24.452,278 24.452,279 24.452,280 24.452,281 21.235,282 24.744,283 14.137,284 25.113,285 19.639,286 19.639,287 19.639,288 19.639,289 19.639,290 14.622,291 34.975,292 6.613,293 20.738,294 4.107,295 2.148,296 1.385,297 0.607,298 0.529,299 0.529,300 4.332,301 1,305 1,306 1204,307 4.416,311 519.227,318 2.66,319 45.513,322 0.75,323 0.67,324 0.83,325 0.5,327 0.83,328 1,329 0.65,330 80.833,331 571,332 4.95,333 4.749,334 7.677,335 4.438,336 3.522,337 4.793,338 1.656,339 13.597,340 3.195,341 4.363,342 3.54,343 6.278,344 3.968,345 2.99,346 4.043,347 0.4,348 9.553,349 2.929,350 4.161,351 3.009,352 6.043,353 3.758,354 2.793,355 3.77,356 0.4,357 8.755,358 2.702,359 4.019,360 2.92,361 5.904,362 3.596,363 2.637,364 3.597,365 0.247,366 7.966,367 2.516,368 3.871,369 2.806,370 5.496,371 3.492,372 2.53,373 3.359,375 7.326,376 2.427,377 3.681,378 2.618,379 5.459,380 3.26,381 2.336,382 3.02,384 7.085,385 2.14,386 3.469,387 2.413,388 4.993,389 3.048,390 2.073,391 2.739,393 5.822,394 2.003,395 3.355,396 2.155,397 4.779,398 2.903,399 1.966,400 2.629,402 5.319,403 1.794,404 3.073,405 2.101,406 4.541,407 2.59,408 1.63,409 2.305,411 4.477,412 1.555,413 2.751,414 1.689,415 4.482,416 2.383,417 1.47,418 1.865,420 3.735,421 1.316,422 2.736,423 1.324,424 4.081,425 2.247,426 1.287,427 1.812,428 3.378,429 1.231,430 2.604,431 1.147,432 3.705,433 2.097,434 1.123,435 1.653,436 2.588,437 1.092,438 2.5,439 1.096,440 3.496,441 2,442 1,443 1.5,445 2.506,446 1,447 2.5,448 1.075,449 3.456,450 1.976,451 1,452 1.5,454 2.401,455 0.974,456 2.435,457 1,458 3.414,459 1.937,460 1,461 1.349,463 2.275,464 0.934,465 17.848,466 0.482,467 1.091,468 0.029,469 54,470 1.459,471 29.5,472 0.797,473 24.5,474 0.662,475 28.56,476 0.772,477 39.152,478 0.642,479 47.36,480 1.28,481 10.772,482 0.291,483 6.895,484 0.186,485 0.18,486 0.047,487 0.303,493 0.651,494 1.438,495 0.696,496 1.142,497 0.656,498 0.893,499 0.621,500 0.845,501 0.694,502 0.723,503 0.558,504 0.749,505 1.074,506 1.282,507 1.205,508 1.301,509 0.944,510 1.064,511 1.485,512 0.985,513 1.04,514 0.907,515 1.672,516 0.946,517 0.818,518 1.048,519 0.843,520 0.96,521 0.788,522 0.998,523 1.05,524 1.075,525 1.246,526 1.094,527 0.936,528 1.153,529 0.455,530 0.836,531 0.681,532 0.834,533 0.403,534 0.952,535 0.582,536 1.067,537 0.657,538 0.906,539 0.511,540 0.876,541 9.5,542 0.31,543 4.889,544 2.563,545 1.898,546 1.319,547 0.929,548 0.549,549 0.44,550 0.411,551 21984,552 73845,553 2.016,554 39.3,556 19,558 2,559 3,564 1.778,565 1.858,566 3.882,567 0.863,573 111.233,574 1.823,575 3.783,576 4.545,577 5.324,578 5.402,579 5.402,580 3.371,581 4.831,582 5.178,583 4.085,584 2720.7,585 9.096,586 46008.6,591 361.775,592 1.621,593 5.118,594 0.237,595 0.008,596 0.086,597 0.042,598 0.034,599 0.024,600 0.02,601 0.012,602 0.01,603 0.01,604 0.483,605 0.33,606 0.75,607 1.191,608 206.827,609 0.002,610 -0.237,611 0.123,612 -0.099,613 -0.145,614 0.002,615 0.256,616 0.287,617 0.123,618 0.22,619 0.209,620 0.146,621 -0.16,622 -0.183,623 -0.114,624 -0.163,625 -0.03,626 -0.104,627 -0.191,628 -0.031,629 -0.065,630 0.025,631 -0.193,632 -0.007,633 0.022,634 -0.025,635 -0.021,636 -0.038,637 0.001,638 -0.043,639 -0.167,640 -0.116,641 -0.216,642 -0.151,643 -0.167,644 -0.159,645 0.27,646 0.167,647 0.118,648 0.058,649 0.16,650 0.033,651 0.125,652 -0.103,653 0.202,654 0.063,655 0.129,656 0.153,657 4.642,658 5.58,659 0.649,660 47.92,661 1.017,662 1.127,663 1.924,664 3.7,665 0.701,666 3.714,667 4.06,668 4.304,669 4.5,670 4.736,671 4.762,672 4.942,673 5.056,674 5.147,675 5.263,676 8.929,677 0.673,678 538.08,679 3.714,680 5.273,681 6.12,682 7,683 7.866,684 8.748,685 9.62,686 10.502,687 11.377,688 12.261,689 11.5,692 1,696 2,697 1,699 3,704 12,705 3,709 9,711 24,724 1,730 1,731 61,733 27,734 2,735 40,737 64,738 25,739 21,740 5,741 7,746 4,747 4,748 1,751 1,761 22,762 3,766 3,769 1,771 3,775 1,781 24,782 10,783 3,784 12,785 2,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 3,845 1,848 37,852 1,855 3,859 1,869 1,870 4.9,873 3,877 19.917,878 11.86,879 8.083,880 3.247,881 4.835,882 1.579,883 0.995,884 8.053,885 13.179,886 4.025,887 4.663,888 5.204,889 5.745,890 6.319,891 6.546,892 7.036,893 7.429,894 7.824,895 8.241,896 1,897 61,898 13.855,900 6.111,901 7.965,902 25.361,904 20.387,905 2.465,906 91.194,910 247.193,911 172.478,912 105.907,913 39.149,914 69.458,916 5.807,917 166.671,918 355.8,919 105.907,920 25.189,921 36.022,922 100.57,923 143.357,924 60.074,925 6.175,926 223.651,927 39.149,928 247.193,929 272.578,930 69.458,931 44.956,933 247.193,934 69.458,937 81.058,938 141.163,939 95.313,941 247.193,942 175.365,943 211.627,945 5.807,946 247.193,947 28.624,948 139.565,949 54.032,950 158.963,951 247.193,952 175.365,953 211.627,955 0.591,956 0.346,957 0.168,958 0.093,959 26,960 13,961 0.109,962 7,964 1,965 4.644,966 349.456,968 24,969 184.75,973 1,974 26.516,975 11.238,976 6.24,978 175.365,979 20.726,980 13.297,984 4.588,986 54.032,987 634.185,988 55,991 -3.725,993 36.657,997 -0.296,999 62.047,1000 68.717,1001 0.307,1002 0.638,1003 0.766,1004 0.898,1005 0.911,1006 0.911,1007 5.268,1008 1.966,1009 6.142,1010 5.822,1011 4.745,1012 5.352,1013 1.863,1014 6.987,1015 4.638,1016 6.513,1017 1.63,1018 7.738,1019 5.319,1020 4.511,1021 5.359,1022 1.195,1023 8.167,1024 4.316,1025 7.857,1026 1.47,1027 9.447,1028 4.477,1029 6.415,1030 7.64,1031 2.424,1032 11.223,1033 6.194,1034 9.242,1035 1.287,1036 11.228,1037 3.735,1038 6.986,1039 8.45,1040 2.324,1041 13.291,1042 6.658,1043 10.663,1044 1.123,1045 13.061,1046 3.378,1047 8.42,1048 10.261,1049 3.244,1050 15.982,1051 8.058,1052 12.111,1053 1,1054 14.934,1055 2.588,1056 9.35,1057 11.444,1058 3.407,1059 18.397,1060 8.873,1061 13.581,1062 1,1063 16.838,1064 2.506,1065 10.625,1066 13.081,1067 4.156,1068 21.011,1069 10.093,1070 3.522,1071 1,1072 18.768,1073 2.401,1074 11.72,1075 14.448,1076 4.464,1077 23.551,1078 11.072,1079 2.99,1080 13.597,1081 20.72,1082 2.275,1083 12.951,1084 16.02,1085 5.111,1086 26.154,1087 12.225,1088 2.793,1089 9.553,1090 22.688,1091 4.793,1092 14.123,1093 17.481,1094 5.504,1095 28.738,1096 13.283,1097 2.637,1098 8.755,1099 24.671,1100 4.043,1101 15.347,1102 19.032,1103 6.091,1104 31.342,1105 14.415,1106 2.53,1107 7.966,1108 26.665,1109 3.77,1110 16.556,1111 20.54,1112 6.531,1113 33.942,1114 15.512,1115 2.336,1116 7.326,1117 28.669,1118 3.597,1119 17.787,1120 22.089,1121 7.083,1122 36.549,1123 16.641,1124 2.073,1125 7.085,1126 30.679,1127 3.359,1128 19.016,1129 23.622,1130 7.551,1131 39.155,1132 17.759,1133 21349,1134 39336,1135 25.948,1136 42.762,1137 60.237,1138 62.593,1139 62.445,1140 60.047,1141 59.988,1142 81.303,1143 5.406,1144 175.99,1145 56.728,1146 5.747,1147 6.749,1148 7.229,1149 5.51,1150 5.522,1151 7.793,1152 2.912,1153 21.603,1154 5.195,1155 22.774,1156 1.506,1157 1.565,1158 1.561,1159 1.501,1160 1.5,1161 2.033,1162 0.135,1163 4.4,1164 1.418,1165 4.098,1166 4.097,1167 4.747,1168 4.078,1169 7.715,1170 4.002,1171 4.009,1172 4.022,1173 3.99,1174 3.94,1175 7.431,1176 3.934,1177 3.862,1178 3.9,1179 3.893,1180 3.754,1181 6.999,1182 3.76,1183 3.712,1184 3.748,1185 3.805,1186 3.599,1187 5.051,1188 3.558,1189 3.625,1190 3.671,1191 3.616,1192 3.472,1193 4.899,1194 3.479,1195 3.519,1196 3.586,1197 3.437,1198 3.237,1199 4.858,1200 3.277,1201 3.219,1202 3.263,1203 3.335,1204 3.012,1205 4.648,1206 2.988,1207 3.087,1208 3.167,1209 3.089,1210 2.914,1211 4.351,1212 2.908,1213 0.124,1214 0.119,1215 0.192,1216 0.111,1217 0.088,1218 4.95,1219 0.12,1220 4.749,1221 0.041,1222 7.677,1223 0.34,1224 4.438,1225 0.08,1226 3.522,1227 4.793,1228 1.656,1229 13.597,1230 3.195,1231 1.982,1232 1.975,1233 2.058,1234 2.082,1235 1.195,1236 2.082,1237 1.956,1238 1.948,1239 1.959,1240 2.032,1241 1.156,1242 2.056,1243 1.819,1244 1.787,1245 1.901,1246 1.948,1247 0.983,1248 1.944,1249 1.61,1250 1.581,1251 1.751,1252 1.817,1253 0.869,1254 1.818,1255 1.548,1256 1.508,1257 1.706,1258 1.756,1259 0.692,1260 1.751,1261 1.418,1262 1.342,1263 1.676,1264 1.698,1265 0.662,1266 1.697,1267 1.135,1268 1.093,1269 1.417,1270 1.343,1271 0.469,1272 1.388,1273 1.049,1274 0.984,1275 1.265,1276 1.317,1277 0.418,1278 1.315,1279 4.394,1281 5.733,1283 7.266,1285 8.881,1287 10.539,1289 4.435,1290 6.144,1296 8.27,1300 1.099,1305 41.05,1306 111.233,1307 230.742,1308 277.271,1309 324.755,1310 329.51,1311 329.51,1312 82.465,1313 8.345,1314 129.21,1315 137.59,1316 24,1317 12.796,1318 4.807,1319 4,1320 65.13,1321 198,1322 223,1323 0.158,1324 261.962,1325 450.79,1326 630.947,1327 58024,1328 1.6,1329 26.579,1330 0.718,1331 0.589,1332 27.329,1333 21.8,1334 17.667,1335 0.442,1336 0.322,1337 11.022,1338 15.864,1339 10.525,1340 8.812,1341 18.744,1342 12.867,1343 16.484,1344 0.289,1345 0.185,1346 18.24,1347 10.562,1348 13.651,1349 0.187,1350 0.104,1351 15.461,1352 7.619,1353 10.289,1354 0.116,1355 0.053,1356 11.62,1357 4.744,1358 8.577,1359 0.076,1360 0.029,1361 9.567,1362 3.235,1363 0.255,1364 122.054,1365 0.196,1366 34.152,1367 0.414,1368 194,1369 629.849,1370 269,1371 663.88,1372 890.43,1373 612,1374 227,1375 604.491,1376 306.46,1377 663.175,1378 962.34,1379 619,1380 7.481}
{0 CHEMBL2158866,1 1.777,2 16.154,3 4.985,4 24.854,5 151.832,6 8.45,7 0.571,8 4.302,9 4.414,10 4.076,11 3.868,12 5.435,13 3.837,14 4.814,15 4.98,16 4.407,17 4.237,18 6.106,19 4.186,20 5.04,21 5.223,22 4.57,23 4.416,24 6.198,25 4.34,26 5.142,27 5.308,28 4.538,29 4.421,30 6.471,31 4.36,32 5.172,33 5.379,34 4.404,35 4.406,36 6.379,37 4.329,38 5.096,39 5.307,40 4.335,41 4.38,42 6.167,43 4.275,44 5.039,45 5.267,46 4.27,47 4.286,48 6.179,49 4.172,50 4.909,51 5.139,52 4.185,53 4.177,54 5.995,55 4.083,56 0.139,57 1.052,58 14.124,59 5.9,60 19.245,61 6.998,62 0.598,63 1.618,64 24.566,65 9.726,66 62.603,67 12.15,68 0.505,69 1.928,70 43,71 13.575,72 62.327,73 15.554,74 0.883,75 1.991,76 47.183,77 14.372,78 127.634,79 16.046,80 0.887,81 2.007,82 41.865,83 14.228,84 123.188,85 17.716,86 0.596,87 1.892,88 41.866,89 13.605,90 76.78,91 17.889,92 0.781,93 1.783,94 41.634,95 12.907,96 82.132,97 17.401,98 0.418,99 1.618,100 31.685,101 11.425,102 49.626,103 15.199,104 67,105 59,106 0.277,107 0.597,108 0.746,109 0.837,110 0.848,111 0.848,112 3.693,113 1.001,114 -3.55,115 -3.53,116 -3.36,119 40.3,120 2,124 1,125 2,142 10,143 2,144 4,145 2,146 2,150 1,159 1,172 7,174 4,175 8,178 4,179 1,180 4,183 9,187 8,192 3,195 10,199 19,204 5,207 6,211 1,212 11,215 3,217 5,220 7,224 3,227 1,229 2,232 12,236 7,237 5,240 1,242 4,245 10,249 1,250 3,253 1,255 4,258 2,263 15,266 1,268 4,271 4,275 3166,276 26.192,277 26.192,278 26.192,279 26.192,280 26.192,281 22.976,282 27.907,283 15.186,284 26.945,285 20.511,286 20.511,287 20.511,288 20.511,289 20.511,290 15.512,291 39.975,292 6.92,293 21.664,294 4.289,295 2.237,296 1.287,297 0.702,298 0.631,299 0.631,300 4.383,301 1,305 1,306 1323,307 4.637,311 553.103,318 2.679,319 47.892,322 0.75,323 0.67,324 0.67,325 0.5,327 0.83,328 1,329 0.63,330 84.833,331 630,332 4.961,333 4.753,334 7.719,335 4.46,336 3.543,337 4.798,338 1.656,339 13.87,340 3.222,341 4.363,342 3.54,343 6.278,344 3.968,345 2.99,346 4.044,347 0.4,348 9.553,349 2.929,350 4.161,351 3.01,352 6.044,353 3.759,354 2.794,355 3.77,356 0.4,357 8.757,358 2.703,359 4.026,360 2.937,361 5.99,362 3.609,363 2.651,364 3.601,365 0.247,366 8.155,367 2.526,368 3.872,369 2.811,370 5.509,371 3.495,372 2.535,373 3.359,375 7.342,376 2.429,377 3.683,378 2.62,379 5.461,380 3.277,381 2.354,382 3.02,384 7.202,385 2.152,386 3.47,387 2.413,388 5.012,389 3.052,390 2.078,391 2.741,393 5.871,394 2.008,395 3.358,396 2.37,397 4.798,398 2.923,399 1.978,400 2.63,402 5.321,403 1.834,404 3.073,405 2.133,406 4.777,407 2.651,408 1.739,409 2.306,411 4.671,412 1.584,413 2.938,414 1.689,415 4.482,416 2.584,417 1.629,418 1.981,420 4.476,421 1.511,422 2.751,423 1.325,424 4.081,425 2.247,426 1.287,427 1.865,428 3.379,429 1.232,430 2.608,431 1.17,432 3.934,433 2.097,434 1.123,435 1.653,436 2.906,437 1.092,438 2.604,439 1.147,440 3.496,441 2.086,442 1.095,443 1.601,445 2.588,446 1.082,447 2.5,448 1.096,449 3.456,450 2,451 1,452 1.5,454 2.401,455 1,456 2.5,457 1,458 3.414,459 1.937,460 1,461 1.5,463 2.275,464 0.934,465 18.848,466 0.483,467 1.015,468 0.026,469 55,470 1.41,471 29.5,472 0.756,473 25.5,474 0.654,475 33.267,476 0.853,477 41.752,478 0.623,479 48.473,480 1.243,481 10.748,482 0.276,483 7.995,484 0.205,485 0.171,486 0.044,487 0.287,493 0.643,494 1.443,495 0.714,496 1.156,497 0.649,498 0.928,499 0.588,500 0.969,501 0.706,502 0.82,503 0.54,504 0.836,505 1.089,506 1.105,507 1.059,508 1.055,509 0.935,510 0.883,511 1.453,512 1.176,513 1.323,514 1.268,515 1.583,516 1.087,517 1.217,518 0.925,519 0.878,520 0.851,521 1.43,522 0.936,523 0.96,524 1.07,525 1.102,526 1.031,527 0.866,528 1.087,529 0.613,530 0.896,531 1.09,532 1.004,533 0.478,534 1.063,535 0.653,536 1.057,537 0.717,538 0.914,539 0.534,540 0.921,541 9.5,542 0.326,543 5.111,544 3.188,545 1.898,546 1.431,547 0.97,548 0.604,549 0.44,550 0.411,551 25150,552 79355,553 2.016,554 41.8,556 17,558 2,559 3,561 6,564 1.791,565 1.865,566 3.944,567 0.824,573 119.034,574 1.777,575 3.829,576 4.779,577 5.364,578 5.435,579 5.435,580 3.423,581 4.926,582 5.254,583 4.142,584 3069.14,585 9.25,586 53964.9,591 406.428,592 1.589,593 5.198,594 0.226,595 0.008,596 0.087,597 0.049,598 0.03,599 0.024,600 0.018,601 0.012,602 0.009,603 0.009,604 0.473,605 0.33,606 0.75,607 1.304,608 221.52,609 0.015,610 -0.225,611 0.125,612 -0.092,613 -0.131,614 0.002,615 0.286,616 0.163,617 0.126,618 0.138,619 0.224,620 0.084,621 -0.139,622 -0.008,623 0.047,624 0.063,625 -0.034,626 0.092,627 -0.155,628 -0.141,629 -0.192,630 -0.184,631 -0.09,632 -0.137,633 -0.1,634 0.044,635 -0.032,636 0.072,637 -0.155,638 0.022,639 -0.109,640 -0.104,641 -0.098,642 -0.08,643 -0.122,644 -0.088,645 0.195,646 0.082,647 -0.048,648 -0.063,649 0.114,650 -0.064,651 0.07,652 -0.067,653 0.126,654 0.036,655 0.083,656 0.081,657 4.666,658 6.043,659 0.615,660 52.212,661 1.012,662 1.128,663 2.323,664 5.396,665 0.691,666 3.761,667 4.094,668 4.357,669 4.575,670 4.771,671 4.812,672 4.984,673 5.094,674 5.204,675 5.303,676 9.256,677 0.658,678 566.14,679 3.761,680 5.313,681 6.163,682 7.045,683 7.911,684 8.796,685 9.669,686 10.556,687 11.433,688 12.321,689 10.4,692 1,696 2,697 1,699 3,704 12,705 3,709 9,711 24,724 1,730 1,731 67,733 27,734 2,735 42,737 70,738 27,739 21,740 5,741 7,746 4,747 4,748 1,751 1,752 2,761 22,762 5,766 3,769 1,771 3,775 1,781 28,782 10,783 3,784 12,785 2,790 7,794 1,795 3,805 1,806 1,812 4,840 4,842 1,844 3,845 1,848 39,852 1,854 2,855 3,859 1,869 1,870 4.5,873 3,877 20.917,878 12.86,879 8.75,880 4.047,881 4.841,882 1.572,883 0.987,884 9.151,885 13.301,886 4.06,887 4.682,888 5.226,889 5.779,890 6.329,891 6.563,892 7.052,893 7.444,894 7.845,895 8.253,896 0.909,897 65,898 14.646,900 6.426,901 7.915,902 26.994,904 21.696,905 2.415,906 94.194,910 294.278,911 177.547,912 105.907,913 39.149,914 69.458,916 5.807,917 171.74,918 402.884,919 105.907,920 26.047,921 40.233,922 100.57,923 143.357,924 60.074,925 6.175,926 270.735,927 39.149,928 294.278,929 277.647,930 69.458,931 44.956,933 223.651,934 140.084,937 102.92,938 124.371,939 95.313,941 294.278,942 175.365,943 216.696,945 5.807,946 294.278,947 32.836,948 140.423,949 54.032,950 158.963,951 294.278,952 175.365,953 216.696,955 0.581,956 0.35,957 0.182,958 0.092,959 26,960 13,961 0.129,962 9,964 1,965 4.779,966 375.228,968 24,969 196.131,973 1,974 28.462,975 12.54,976 6.726,978 175.365,979 20.869,980 13.375,984 4.681,986 54.032,987 686.339,988 57,991 -3.749,993 37.607,997 -0.295,999 67.814,1000 75.548,1001 0.293,1002 0.631,1003 0.788,1004 0.884,1005 0.896,1006 0.896,1007 5.298,1008 1.978,1009 6.176,1010 5.871,1011 4.779,1012 5.371,1013 1.863,1014 7.026,1015 4.672,1016 6.534,1017 1.739,1018 7.77,1019 5.321,1020 4.511,1021 5.359,1022 1.195,1023 8.209,1024 4.316,1025 7.875,1026 1.629,1027 9.479,1028 4.671,1029 6.447,1030 7.649,1031 2.424,1032 11.284,1033 6.225,1034 9.258,1035 1.287,1036 11.261,1037 4.476,1038 7.004,1039 8.454,1040 2.324,1041 13.37,1042 6.677,1043 10.678,1044 1.123,1045 13.096,1046 3.379,1047 8.451,1048 10.267,1049 3.244,1050 16.083,1051 8.089,1052 12.125,1053 1.095,1054 14.972,1055 2.906,1056 9.38,1057 11.45,1058 3.407,1059 18.52,1060 8.904,1061 13.596,1062 1,1063 16.88,1064 2.588,1065 10.662,1066 13.087,1067 4.156,1068 21.157,1069 10.13,1070 3.543,1071 1,1072 18.815,1073 2.401,1074 11.762,1075 14.456,1076 4.464,1077 23.719,1078 11.116,1079 2.99,1080 13.87,1081 20.771,1082 2.275,1083 12.998,1084 16.028,1085 5.111,1086 26.345,1087 12.275,1088 2.794,1089 9.553,1090 22.745,1091 4.798,1092 14.176,1093 17.49,1094 5.504,1095 28.95,1096 13.341,1097 2.651,1098 8.757,1099 24.733,1100 4.044,1101 15.408,1102 19.043,1103 6.091,1104 31.577,1105 14.48,1106 2.535,1107 8.155,1108 26.733,1109 3.77,1110 16.624,1111 20.553,1112 6.531,1113 34.197,1114 15.586,1115 2.354,1116 7.342,1117 28.742,1118 3.601,1119 17.861,1120 22.103,1121 7.083,1122 36.824,1123 16.723,1124 2.078,1125 7.202,1126 30.758,1127 3.359,1128 19.097,1129 23.637,1130 7.551,1131 39.45,1132 17.849,1133 24501,1134 43726,1135 27.334,1136 46.284,1137 62.172,1138 64.811,1139 65.406,1140 62.159,1141 62.111,1142 83.417,1143 5.406,1144 181.547,1145 58.79,1146 5.793,1147 6.753,1148 7.337,1149 5.535,1150 5.543,1151 7.798,1152 2.912,1153 22.087,1154 5.222,1155 23.53,1156 1.48,1157 1.543,1158 1.557,1159 1.48,1160 1.479,1161 1.986,1162 0.129,1163 4.323,1164 1.4,1165 4.105,1166 4.103,1167 4.749,1168 4.084,1169 7.715,1170 4.007,1171 4.01,1172 4.025,1173 3.99,1174 3.94,1175 7.431,1176 3.934,1177 3.863,1178 3.903,1179 3.895,1180 3.754,1181 6.999,1182 3.76,1183 3.733,1184 3.774,1185 3.805,1186 3.619,1187 5.051,1188 3.587,1189 3.64,1190 3.695,1191 3.617,1192 3.477,1193 4.899,1194 3.493,1195 3.52,1196 3.587,1197 3.437,1198 3.257,1199 4.858,1200 3.277,1201 3.394,1202 3.407,1203 3.341,1204 3.237,1205 4.648,1206 3.201,1207 3.306,1208 3.403,1209 3.327,1210 3.123,1211 4.351,1212 3.089,1213 0.118,1214 0.113,1215 0.184,1216 0.106,1217 0.084,1218 4.961,1219 0.114,1220 4.753,1221 0.039,1222 7.719,1223 0.33,1224 4.46,1225 0.077,1226 3.543,1227 4.798,1228 1.656,1229 13.87,1230 3.222,1231 1.982,1232 1.979,1233 2.058,1234 2.082,1235 1.245,1236 2.087,1237 1.96,1238 1.948,1239 1.963,1240 2.039,1241 1.157,1242 2.061,1243 1.819,1244 1.788,1245 1.909,1246 1.954,1247 1.055,1248 1.949,1249 1.669,1250 1.626,1251 1.879,1252 1.855,1253 0.98,1254 1.867,1255 1.576,1256 1.524,1257 1.725,1258 1.779,1259 0.869,1260 1.762,1261 1.418,1262 1.342,1263 1.707,1264 1.702,1265 0.693,1266 1.7,1267 1.351,1268 1.278,1269 1.676,1270 1.584,1271 0.665,1272 1.638,1273 1.275,1274 1.256,1275 1.265,1276 1.443,1277 0.522,1278 1.496,1279 4.443,1281 5.771,1283 7.302,1285 8.919,1287 10.581,1289 5.11,1290 6.258,1295 0.673,1296 8.317,1300 1.349,1305 44.104,1306 119.034,1307 256.574,1308 320.189,1309 359.408,1310 364.163,1311 364.163,1312 93.385,1313 8.46,1314 129.21,1315 137.59,1316 24,1317 12.853,1318 4.807,1319 4,1320 70.696,1321 218,1322 245,1323 0.157,1324 281.147,1325 485.39,1326 677.757,1327 67262,1328 1.5,1329 27.993,1330 0.718,1331 0.595,1332 28.743,1333 23.215,1334 18.743,1335 0.446,1336 0.334,1337 12.183,1338 16.995,1339 11.693,1340 9.77,1341 19.82,1342 14.019,1343 16.843,1344 0.285,1345 0.181,1346 18.514,1347 10.65,1348 14.201,1349 0.184,1350 0.109,1351 15.997,1352 8.419,1353 11.504,1354 0.12,1355 0.061,1356 13.299,1357 5.814,1358 8.744,1359 0.075,1360 0.03,1361 9.775,1362 3.469,1363 0.253,1364 128.341,1365 0.191,1366 35.628,1367 0.41,1368 202,1369 637.849,1370 277.666,1371 670.845,1372 904.69,1373 620,1374 237,1375 619.195,1376 320.134,1377 673.785,1378 984,1379 633,1380 7.036}
{0 CHEMBL2165003,1 1.746,2 12.857,3 1.275,4 1.625,5 130.95,6 7.807,7 0.474,8 4.269,9 4.395,10 3.99,11 3.736,12 5.352,13 3.721,14 4.826,15 5.019,16 4.27,17 4.099,18 6.061,19 4.071,20 5.048,21 5.249,22 4.326,23 4.3,24 6.11,25 4.245,26 5.191,27 5.423,28 4.265,29 4.36,30 6.205,31 4.255,32 5.195,33 5.447,34 4.237,35 4.329,36 6.213,37 4.23,38 5.113,39 5.365,40 4.21,41 4.268,42 6.121,43 4.179,44 5.05,45 5.294,46 4.197,47 4.215,48 6.077,49 4.141,50 4.988,51 5.214,52 4.208,53 4.187,54 6.046,55 4.119,56 0.149,57 1.049,58 15.977,59 5.245,60 20.744,61 7.068,62 0.729,63 1.569,64 29.983,65 8.751,66 72.181,67 11.994,68 0.654,69 1.907,70 37.54,71 10.78,72 66.838,73 14.922,74 0.825,75 2.005,76 45.388,77 13.619,78 89.333,79 19.032,80 0.818,81 1.954,82 44.284,83 13.165,84 90.882,85 19.548,86 0.735,87 1.881,88 40.289,89 11.89,90 74.444,91 17.603,92 0.713,93 1.799,94 35.994,95 10.01,96 67.781,97 15.304,98 0.507,99 1.737,100 34.659,101 9.897,102 52.481,103 14.778,104 41,105 54,106 0.278,107 0.614,108 0.823,109 0.879,110 0.879,111 0.879,112 3.589,113 1.025,114 -3.59,115 -3.56,116 -3.4,119 34.4,120 1,121 1,124 2,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 7,175 11,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 2,198 3,199 8,201 1,202 3,204 3,207 3,209 2,211 3,212 4,215 1,217 1,220 4,222 1,223 3,224 7,226 1,227 3,228 1,229 2,231 1,232 4,234 1,236 4,237 7,245 1,249 1,250 8,252 1,253 1,255 2,258 1,260 1,262 8,263 6,265 1,266 2,268 1,271 1,273 1,275 2590,276 23.115,277 23.115,278 23.115,279 23.115,280 23.115,281 20.575,282 35.576,283 13.455,284 23.952,285 18.733,286 18.733,287 18.733,288 18.733,289 18.733,290 14.788,291 52.591,292 6.377,293 20.041,294 4.254,295 2.14,296 0.828,297 0.473,298 0.473,299 0.473,300 4.281,305 1,306 955,307 3.742,311 359.682,312 143.533,318 1.992,319 42.243,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.67,328 0.5,329 0.69,330 77.5,331 450,332 4.743,333 4.375,334 7.11,335 4.245,336 3.31,337 4.51,338 0.916,339 11.655,340 3.074,341 4.452,342 3.179,343 6.547,344 4.052,345 3.093,346 4.145,347 0.86,348 10.402,349 2.97,350 4.068,351 2.957,352 5.62,353 3.615,354 2.684,355 3.674,356 0.4,357 7.742,358 2.508,359 3.989,360 2.876,361 5.557,362 3.581,363 2.637,364 3.586,365 0.4,366 7.61,367 2.488,368 3.691,369 2.725,370 5.416,371 3.417,372 2.494,373 2.967,374 0.172,375 7.111,376 2.301,377 3.47,378 2.491,379 5.149,380 3.122,381 2.191,382 2.75,384 6.368,385 2.036,386 3.333,387 2.358,388 5.011,389 3.032,390 2.078,391 2.481,393 5.969,394 1.964,395 3.232,396 2.161,397 4.829,398 2.796,399 1.879,400 2.458,402 5.241,403 1.722,404 3.142,405 2.083,406 4.618,407 2.704,408 1.776,409 2.33,411 4.963,412 1.642,413 2.825,414 1.873,415 4.612,416 2.589,417 1.665,418 1.82,420 4.806,421 1.53,422 2.55,423 1.371,424 3.946,425 2.244,426 1.268,427 1.575,428 2.928,429 1.234,430 2.5,431 1.138,432 3.548,433 2,434 1.059,435 1.5,436 2.766,437 0.994,438 2.275,439 1.066,440 3.414,441 1.959,442 1,443 1.273,445 2.275,446 0.957,447 1.797,448 1,449 3.184,450 1.505,451 0.629,452 0.707,454 1.3,455 0.546,456 1.552,457 0.712,458 3.018,459 1.313,460 0.389,461 0.433,463 0.804,464 0.358,465 16.433,466 0.47,467 1.051,468 0.03,469 47,470 1.343,471 22.5,472 0.643,473 24.5,474 0.7,475 31.659,476 0.905,477 39.367,478 0.615,479 39.244,480 1.121,481 9.056,482 0.259,483 7.65,484 0.219,485 0.156,486 0.051,487 0.292,493 0.761,494 1.734,495 0.821,496 1.398,497 0.757,498 1.065,499 0.843,500 1.032,501 0.943,502 0.951,503 0.508,504 0.844,505 1.216,506 1.162,507 1.169,508 1.077,509 1.106,510 1.027,511 0.992,512 1.006,513 1.118,514 1.113,515 1.074,516 1.113,517 0.818,518 1.037,519 0.851,520 0.929,521 1.062,522 0.966,523 0.77,524 0.946,525 0.862,526 0.901,527 0.741,528 0.944,529 0.954,530 0.999,531 0.875,532 0.83,533 0.855,534 0.948,535 0.876,536 1.244,537 0.968,538 1.119,539 0.675,540 1.072,541 9.5,542 0.334,543 3.556,544 2.375,545 1.929,546 1.212,547 0.862,548 0.681,549 0.503,550 0.413,551 17531,552 53300,553 2.034,554 45.3,556 19,558 2,559 3,560 3,562 2,564 1.771,565 1.883,566 3.617,567 0.933,573 111.727,574 1.746,575 3.86,576 5.172,577 5.527,578 5.527,579 5.527,580 3.096,581 4.593,582 5.096,583 3.826,584 2276.76,585 8.976,586 35812.8,591 384,592 1.592,593 5.043,594 0.25,595 0.009,596 0.066,597 0.042,598 0.038,599 0.023,600 0.017,601 0.014,602 0.01,603 0.009,604 0.477,605 0.33,606 0.75,607 0.819,608 189.227,609 0.002,610 -0.405,611 0.189,612 -0.178,613 -0.146,614 -0.035,615 0.193,616 0.115,617 0.063,618 0.087,619 0.329,620 0.114,621 -0.237,622 -0.034,623 -0.18,624 -0.04,625 -0.137,626 -0.058,627 -0.081,628 0.01,629 -0.139,630 -0.087,631 -0.084,632 -0.108,633 0.027,634 -0.086,635 0.036,636 0.016,637 -0.071,638 0.041,639 0.018,640 0.053,641 0.022,642 0.031,643 -0.024,644 0.047,645 -0.1,646 0.036,647 -0.027,648 0.053,649 -0.099,650 0.006,651 -0.074,652 -0.167,653 -0.05,654 -0.139,655 -0.009,656 -0.089,657 4.114,658 4.934,659 0.714,660 40.229,661 1.013,662 1.144,663 2.359,664 5.565,665 0.651,666 3.664,667 4.007,668 4.205,669 4.443,670 4.682,671 4.812,672 4.927,673 5.081,674 5.193,675 5.293,676 7.694,677 0.622,678 499.67,679 3.664,680 5.22,681 6.052,682 6.932,683 7.781,684 8.663,685 9.52,686 10.402,687 11.264,688 12.147,689 14.1,692 2,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 64,733 20,735 38,737 67,738 22,739 13,746 4,747 4,752 1,755 1,758 1,761 13,762 9,766 2,769 1,771 2,781 29,782 12,783 3,784 13,785 1,790 9,794 1,795 3,805 2,812 3,813 1,836 1,840 4,842 1,844 3,848 35,849 1,852 1,854 6,855 1,856 1,859 2,870 4.7,873 2,875 1,877 18.583,878 12.317,879 7.556,880 3.567,881 2.984,882 1.377,883 0.978,884 7.773,885 10.898,886 3.912,887 4.527,888 4.965,889 5.498,890 6.05,891 6.285,892 6.662,893 7.086,894 7.468,895 7.787,896 0.889,897 57,898 13.069,900 5.638,901 7.85,902 24.521,904 19.873,905 2.35,906 82.25,910 306.049,911 115.118,912 139.478,914 55.313,916 5.807,917 109.311,918 361.361,919 139.478,920 26.899,921 13.063,922 67.133,923 151.783,924 65.532,925 9.042,926 282.506,928 306.049,929 248.789,930 55.313,931 5.807,933 287.162,934 78.855,937 64.536,938 95.67,939 89.735,941 306.049,942 194.791,943 115.118,945 5.807,946 306.049,947 35.888,948 78.065,949 18.011,950 172.138,951 306.049,952 194.791,953 115.118,955 0.589,956 0.326,957 0.168,958 0.093,959 25,960 12,961 0.104,962 7,964 1,965 4.444,966 330.026,968 25,969 177.525,973 1,974 25.204,975 10.793,976 6.616,978 194.791,979 8.999,980 21.745,984 4.432,986 50.908,987 615.958,988 49,991 -3.198,993 23.867,999 64.811,1000 73.185,1001 0.291,1002 0.643,1003 0.862,1004 0.921,1005 0.921,1006 0.921,1007 5.168,1008 1.879,1009 6.071,1010 5.969,1011 4.691,1012 5.215,1013 1.531,1014 6.884,1015 4.563,1016 6.397,1017 1.776,1018 7.639,1019 5.241,1020 4.443,1021 5.263,1022 0.325,1023 7.947,1024 4.241,1025 7.734,1026 1.665,1027 9.311,1028 4.963,1029 6.337,1030 7.466,1031 1.148,1032 10.938,1033 6.086,1034 9.106,1035 1.268,1036 11.047,1037 4.806,1038 6.847,1039 8.276,1040 0.393,1041 12.815,1042 6.523,1043 10.51,1044 1.059,1045 12.826,1046 2.928,1047 8.272,1048 10.037,1049 0.928,1050 15.403,1051 7.9,1052 11.938,1053 1,1054 14.638,1055 2.766,1056 9.131,1057 11.187,1058 0.384,1059 17.617,1060 8.689,1061 13.384,1062 0.629,1063 16.475,1064 2.275,1065 10.382,1066 12.781,1067 0.765,1068 20.089,1069 9.886,1070 3.31,1071 0.389,1072 18.332,1073 1.3,1074 11.406,1075 14.095,1076 0.351,1077 22.437,1078 10.842,1079 3.093,1080 11.655,1081 20.207,1082 0.804,1083 12.594,1084 15.62,1085 0.634,1086 24.878,1087 11.972,1088 2.684,1089 10.402,1090 22.095,1091 4.51,1092 13.695,1093 17.016,1094 0.312,1095 27.279,1096 13.006,1097 2.637,1098 7.742,1099 23.995,1100 4.145,1101 14.865,1102 18.513,1103 0.525,1104 29.713,1105 14.113,1106 2.494,1107 7.61,1108 25.905,1109 3.674,1110 16.004,1111 19.951,1112 0.273,1113 32.136,1114 15.184,1115 2.191,1116 7.111,1117 27.822,1118 3.586,1119 17.171,1120 21.439,1121 0.433,1122 34.572,1123 16.286,1124 2.078,1125 6.368,1126 29.746,1127 2.967,1128 18.328,1129 22.9,1130 0.236,1131 37.006,1132 17.375,1133 16961,1134 29757,1135 24.849,1136 41.676,1137 56.554,1138 58.094,1139 57.899,1140 56.522,1141 56.506,1142 72.641,1143 5.498,1144 164.335,1145 52.833,1146 5.685,1147 6.375,1148 6.663,1149 5.345,1150 5.31,1151 7.51,1152 1.776,1153 18.543,1154 5.026,1155 20.138,1156 1.488,1157 1.529,1158 1.524,1159 1.487,1160 1.487,1161 1.912,1162 0.145,1163 4.325,1164 1.39,1165 4.047,1166 4.077,1167 4.721,1168 3.967,1169 7.716,1170 3.91,1171 3.972,1172 3.981,1173 3.976,1174 3.869,1175 6.999,1176 3.816,1177 3.845,1178 3.886,1179 3.802,1180 3.713,1181 5.259,1182 3.727,1183 3.751,1184 3.801,1185 3.705,1186 3.556,1187 5,1188 3.573,1189 3.634,1190 3.674,1191 3.573,1192 3.471,1193 4.859,1194 3.459,1195 3.311,1196 3.386,1197 3.175,1198 3.13,1199 4.669,1200 3.119,1201 3.261,1202 3.333,1203 3.069,1204 3.04,1205 4.412,1206 3.038,1207 3.181,1208 3.28,1209 3.002,1210 2.964,1211 4.303,1212 2.965,1213 0.125,1214 0.115,1215 0.187,1216 0.112,1217 0.087,1218 4.743,1219 0.119,1220 4.375,1221 0.024,1222 7.11,1223 0.307,1224 4.245,1225 0.081,1226 3.31,1227 4.51,1228 0.916,1229 11.655,1230 3.074,1231 1.922,1232 1.886,1233 2.006,1234 2.073,1235 1.267,1236 2.054,1237 1.795,1238 1.809,1239 1.909,1240 1.955,1241 1.231,1242 2.005,1243 1.79,1244 1.757,1245 1.871,1246 1.951,1247 1.06,1248 1.937,1249 1.678,1250 1.611,1251 1.826,1252 1.909,1253 0.933,1254 1.895,1255 1.572,1256 1.508,1257 1.747,1258 1.776,1259 0.865,1260 1.776,1261 1.405,1262 1.355,1263 1.575,1264 1.601,1265 0.785,1266 1.654,1267 1.214,1268 1.147,1269 1.57,1270 1.522,1271 0.611,1272 1.537,1273 1.159,1274 1.074,1275 1.453,1276 1.443,1277 0.57,1278 1.462,1279 4.344,1281 5.68,1283 7.189,1284 2.708,1285 8.777,1286 5.094,1287 10.407,1289 4.569,1293 5.895,1295 3.796,1296 3.267,1297 5.124,1300 3.752,1305 39.792,1306 111.727,1307 247.032,1308 330.98,1309 353.735,1310 353.735,1311 353.735,1312 71.245,1313 7.914,1314 152.35,1315 160.73,1316 25,1317 12.685,1318 4.392,1319 3.585,1320 59.232,1321 154,1322 186,1323 0.178,1324 250.15,1325 427.14,1326 602.126,1327 29454,1329 25.001,1330 0.714,1331 0.594,1332 25.251,1333 20.787,1334 16.707,1335 0.44,1336 0.342,1337 11.061,1338 15.053,1339 10.566,1340 8.783,1341 17.601,1342 12.979,1343 15.984,1344 0.296,1345 0.191,1346 17.371,1347 10.293,1348 12.137,1349 0.184,1350 0.104,1351 12.893,1352 6.884,1353 10.057,1354 0.12,1355 0.057,1356 10.583,1357 4.768,1358 8.023,1359 0.075,1360 0.03,1361 8.39,1362 3.177,1363 0.28,1364 115.295,1365 0.201,1366 32.164,1367 0.489,1368 184,1369 591.228,1370 242.016,1371 586.776,1372 795.28,1373 544,1374 212,1375 563.142,1376 276.032,1377 601.855,1378 866.7,1379 559,1380 7.481}
{0 CHEMBL2165004,1 1.761,2 12,3 1.188,4 1.411,5 122.026,6 7.977,7 0.5,8 4.192,9 4.312,10 3.932,11 3.693,12 5.294,13 3.671,14 4.743,15 4.922,16 4.223,17 4.067,18 5.988,19 4.035,20 4.95,21 5.14,22 4.22,23 4.197,24 6.063,25 4.138,26 5.045,27 5.281,28 4.162,29 4.194,30 6.134,31 4.117,32 4.975,33 5.208,34 4.118,35 4.192,36 5.993,37 4.105,38 4.976,39 5.214,40 4.167,41 4.172,42 6.04,43 4.095,44 4.932,45 5.168,46 4.171,47 4.135,48 6.005,49 4.072,50 4.909,51 5.119,52 4.141,53 4.1,54 6.072,55 4.042,56 0.14,57 0.972,58 14.11,59 5.241,60 21.342,61 6.476,62 0.599,63 1.482,64 27.84,65 8.911,66 73.373,67 11.3,68 0.597,69 1.721,70 33.969,71 10.107,72 75.432,73 13.386,74 0.855,75 1.738,76 37.611,77 11.274,78 88.63,79 15.729,80 0.561,81 1.716,82 33.827,83 10.684,84 64.361,85 15.391,86 0.653,87 1.716,88 32.899,89 10.414,90 67.956,91 14.918,92 0.59,93 1.669,94 33.3,95 9.256,96 55.698,97 13.603,98 0.605,99 1.613,100 29.081,101 8.841,102 70.715,103 12.646,104 41,105 52,106 0.284,107 0.639,108 0.849,109 0.878,110 0.878,111 0.878,112 3.532,113 1.027,114 -4.09,115 -4.03,116 -3.82,119 35.6,120 1,121 1,124 2,125 3,127 1,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 5,175 10,177 2,178 3,180 2,183 1,187 8,190 1,192 2,198 5,199 6,201 1,202 3,204 3,207 3,209 2,211 1,212 3,215 1,217 1,220 4,222 1,223 3,224 8,226 1,227 3,228 1,229 2,231 1,232 4,234 1,236 3,237 6,245 1,249 3,250 8,252 1,253 1,255 2,258 1,260 1,262 4,263 4,265 1,266 1,268 1,271 1,273 1,275 2254,276 21.701,277 21.701,278 21.701,279 21.701,280 21.701,281 19.161,282 31.15,283 12.526,284 22.63,285 17.749,286 17.749,287 17.749,288 17.749,289 17.749,290 13.805,291 43.474,292 5.956,293 19.223,294 4.122,295 1.929,296 0.627,297 0.445,298 0.445,299 0.445,300 4.222,304 1,305 1,306 843,307 3.742,310 103.996,311 339.066,318 1.939,319 41.47,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 73,331 396,332 4.747,333 5.181,334 7.118,335 4.194,336 3.328,337 4.511,338 2.95,339 11.699,340 2.972,341 4.452,342 3.182,343 6.547,344 4.051,345 3.092,346 4.145,347 0.916,348 10.402,349 2.849,350 4.068,351 3,352 5.623,353 3.615,354 2.683,355 3.674,356 0.86,357 7.771,358 2.508,359 3.989,360 2.877,361 5.573,362 3.573,363 2.631,364 3.586,365 0.4,366 7.639,367 2.471,368 3.7,369 2.737,370 5.421,371 3.413,372 2.491,373 2.969,374 0.172,375 7.131,376 2.292,377 3.474,378 2.583,379 5.155,380 3.125,381 2.193,382 2.751,384 6.402,385 2.04,386 3.364,387 2.392,388 5.063,389 3.036,390 2.081,391 2.49,393 6.104,394 1.966,395 3.232,396 2.155,397 4.831,398 2.796,399 1.879,400 2.481,402 5.245,403 1.722,404 3.144,405 2.083,406 4.618,407 2.699,408 1.769,409 2.354,411 4.963,412 1.639,413 2.55,414 1.872,415 4.386,416 2.293,417 1.342,418 1.575,420 4.012,421 1.267,422 2.5,423 1.139,424 3.945,425 2,426 1.058,427 1.5,428 2.924,429 0.994,430 2.481,431 1.066,432 3.414,433 1.959,434 1,435 1.453,436 2.275,437 0.957,438 1.791,439 1,440 3.287,441 1.66,442 0.691,443 0.711,445 1.689,446 0.667,447 1.703,448 0.96,449 3.144,450 1.487,451 0.618,452 0.682,454 1.207,455 0.533,456 1.491,457 0.625,458 2.911,459 1.195,460 0.282,461 0.328,463 0.584,464 0.256,465 15.533,466 0.471,467 1.051,468 0.032,469 45.5,470 1.379,471 22.5,472 0.682,473 23,474 0.697,475 28.355,476 0.859,477 36.667,478 0.621,479 36.821,480 1.116,481 8.645,482 0.262,483 7.062,484 0.214,485 0.165,486 0.054,487 0.315,493 0.755,494 1.589,495 0.825,496 1.305,497 0.755,498 1.015,499 0.849,500 1.03,501 1.016,502 1.041,503 0.545,504 0.862,505 1.268,506 1.276,507 1.225,508 1.203,509 1.307,510 1.133,511 0.988,512 0.874,513 0.927,514 0.868,515 1.131,516 0.946,517 0.771,518 1.122,519 0.904,520 0.987,521 0.793,522 1.023,523 0.789,524 0.94,525 0.791,526 0.842,527 0.785,528 0.945,529 0.848,530 1.056,531 0.924,532 0.934,533 0.624,534 0.92,535 1.046,536 1.227,537 0.952,538 1.033,539 1.025,540 1.135,541 9.5,542 0.295,543 3.333,544 2.25,545 2.064,546 1.021,547 0.929,548 0.584,549 0.542,550 0.432,551 14875,552 45724,553 2.036,554 44.1,556 16,558 2,559 3,560 3,562 2,564 1.757,565 1.877,566 3.516,567 0.952,569 1,573 103.871,574 1.761,575 3.954,576 5.255,577 5.437,578 5.437,579 5.437,580 3.097,581 4.514,582 5.011,583 3.74,584 1974.88,585 8.808,586 29693,591 347.076,592 1.628,593 4.954,594 0.264,595 0.008,596 0.064,597 0.045,598 0.043,599 0.022,600 0.019,601 0.012,602 0.012,603 0.01,604 0.5,605 0.33,606 0.75,607 0.845,608 174.77,609 -0.015,610 -0.292,611 0.175,612 -0.101,613 -0.149,614 -0.006,615 0.138,616 0.116,617 0.03,618 0.054,619 0.292,620 0.113,621 -0.249,622 -0.18,623 -0.232,624 -0.161,625 -0.188,626 -0.167,627 -0.008,628 0.103,629 -0.031,630 0.05,631 -0.08,632 0.024,633 -0.04,634 -0.104,635 -0.04,636 -0.037,637 -0.074,638 -0.022,639 0.013,640 0.074,641 0.045,642 0.054,643 -0.047,644 0.028,645 -0.054,646 0.004,647 0.001,648 0.01,649 0.013,650 0.044,651 -0.095,652 -0.161,653 -0.127,654 -0.149,655 -0.09,656 -0.203,657 3.974,658 4.898,659 0.697,660 36.834,661 1.014,662 1.14,663 2.857,664 8.164,665 0.659,666 3.611,667 3.97,668 4.174,669 4.431,670 4.654,671 4.754,672 4.868,673 5.03,674 5.187,675 5.323,676 7.304,677 0.631,678 470.62,679 3.611,680 5.176,681 6.014,682 6.903,683 7.759,684 8.648,685 9.514,686 10.403,687 11.273,688 12.163,689 13.6,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 59,733 20,735 36,737 62,738 21,739 13,746 4,747 4,752 1,755 2,758 2,761 13,762 8,766 2,769 1,771 2,778 1,781 26,782 11,783 3,784 12,785 1,790 8,794 1,795 3,805 2,808 1,811 1,812 3,836 1,840 4,842 1,844 3,848 33,849 1,851 1,854 4,855 1,856 1,858 1,859 1,870 5.1,873 2,875 1,877 17.583,878 11.45,879 7.056,880 3.222,881 3.052,882 1.392,883 0.977,884 6.75,885 10.835,886 3.871,887 4.505,888 4.951,889 5.494,890 6.048,891 6.278,892 6.659,893 7.09,894 7.487,895 7.827,896 1,897 50,898 12.32,900 5.393,901 7.881,902 23.047,904 18.965,905 2.381,906 78.583,910 270.735,911 111.145,912 137.96,914 55.313,916 6.046,917 105.099,918 326.048,919 137.96,920 26.899,921 8.852,922 67.372,923 151.783,924 64.014,925 9.042,926 247.193,928 270.735,929 243.059,930 55.313,931 6.046,933 251.849,934 78.855,937 58.806,938 95.67,939 89.974,941 270.735,942 193.273,943 111.145,945 6.046,946 270.735,947 31.677,948 76.547,949 18.011,950 172.138,951 270.735,952 193.273,953 111.145,955 0.593,956 0.328,957 0.17,958 0.094,959 25,960 12,961 0.113,962 7,964 1,965 4.302,966 306.089,968 23,969 162.465,973 1,974 23.306,975 9.558,976 5.743,978 193.273,979 8.907,980 21.607,984 4.328,986 50.908,987 575.153,988 47,991 -3.058,993 23.797,999 59.825,1000 67.271,1001 0.299,1002 0.672,1003 0.893,1004 0.924,1005 0.924,1006 0.924,1007 5.133,1008 1.879,1009 6.043,1010 6.104,1011 4.654,1012 5.193,1013 3.078,1014 6.87,1015 4.502,1016 6.373,1017 1.769,1018 7.619,1019 5.245,1020 4.443,1021 5.263,1022 0.325,1023 7.947,1024 4.167,1025 7.717,1026 1.342,1027 9.298,1028 4.963,1029 6.315,1030 7.459,1031 5.041,1032 10.943,1033 5.995,1034 9.096,1035 1.058,1036 11.04,1037 4.012,1038 6.858,1039 8.279,1040 0.393,1041 12.825,1042 6.395,1043 10.505,1044 1,1045 12.823,1046 2.924,1047 8.27,1048 10.037,1049 7.186,1050 15.419,1051 7.756,1052 11.936,1053 0.691,1054 14.638,1055 2.275,1056 9.148,1057 11.189,1058 0.384,1059 17.635,1060 8.492,1061 13.386,1062 0.618,1063 16.478,1064 1.689,1065 10.394,1066 12.783,1067 9.348,1068 20.112,1069 9.67,1070 3.328,1071 0.282,1072 18.338,1073 1.207,1074 11.43,1075 14.097,1076 0.351,1077 22.462,1078 10.57,1079 3.092,1080 11.699,1081 20.214,1082 0.584,1083 12.618,1084 15.622,1085 11.511,1086 24.907,1087 11.673,1088 2.683,1089 10.402,1090 22.104,1091 4.511,1092 13.728,1093 17.018,1094 0.312,1095 27.311,1096 12.655,1097 2.631,1098 7.771,1099 24.005,1100 4.145,1101 14.901,1102 18.515,1103 13.675,1104 29.75,1105 13.73,1106 2.491,1107 7.639,1108 25.916,1109 3.674,1110 16.046,1111 19.954,1112 0.273,1113 32.177,1114 14.753,1115 2.193,1116 7.131,1117 27.834,1118 3.586,1119 17.218,1120 21.441,1121 15.838,1122 34.617,1123 15.819,1124 2.081,1125 6.402,1126 29.759,1127 2.969,1128 18.381,1129 22.903,1130 0.236,1131 37.054,1132 16.865,1133 14387,1134 25385,1135 23.463,1136 38.909,1137 54.208,1138 56.611,1139 55.41,1140 54.356,1141 54.278,1142 70.42,1143 10.598,1144 160.091,1145 50.262,1146 5.676,1147 7.181,1148 6.671,1149 5.294,1150 5.328,1151 7.511,1152 5.9,1153 18.727,1154 4.925,1155 19.312,1156 1.506,1157 1.573,1158 1.539,1159 1.51,1160 1.508,1161 1.956,1162 0.294,1163 4.447,1164 1.396,1165 4.08,1166 4.093,1167 4.731,1168 4.058,1169 7.714,1170 3.952,1171 3.979,1172 3.996,1173 3.974,1174 3.868,1175 6.999,1176 3.861,1177 3.844,1178 3.886,1179 3.802,1180 3.713,1181 5.259,1182 3.726,1183 3.735,1184 3.786,1185 3.702,1186 3.538,1187 5,1188 3.563,1189 3.578,1190 3.612,1191 3.545,1192 3.414,1193 4.859,1194 3.387,1195 3.282,1196 3.343,1197 3.148,1198 3.045,1199 4.669,1200 3.054,1201 3.176,1202 3.279,1203 2.999,1204 2.961,1205 4.412,1206 2.961,1207 3.115,1208 3.198,1209 2.964,1210 2.878,1211 4.281,1212 2.886,1213 0.132,1214 0.144,1215 0.198,1216 0.116,1217 0.092,1218 4.747,1219 0.125,1220 5.181,1221 0.082,1222 7.118,1223 0.325,1224 4.194,1225 0.083,1226 3.328,1227 4.511,1228 2.95,1229 11.699,1230 2.972,1231 1.921,1232 1.889,1233 1.997,1234 2.071,1235 1.359,1236 2.05,1237 1.844,1238 1.873,1239 1.893,1240 1.953,1241 1.178,1242 2.007,1243 1.79,1244 1.756,1245 1.833,1246 1.927,1247 0.988,1248 1.932,1249 1.65,1250 1.586,1251 1.793,1252 1.875,1253 0.915,1254 1.858,1255 1.46,1256 1.386,1257 1.672,1258 1.695,1259 0.79,1260 1.696,1261 1.276,1262 1.218,1263 1.57,1264 1.522,1265 0.741,1266 1.547,1267 1.202,1268 1.132,1269 1.535,1270 1.482,1271 0.578,1272 1.522,1273 1.144,1274 1.051,1275 1.438,1276 1.441,1277 0.532,1278 1.459,1279 4.29,1281 5.638,1282 2.398,1283 7.159,1284 4.595,1285 8.757,1286 6.605,1287 10.396,1289 4.595,1293 5.865,1295 2.411,1296 3.246,1297 5.109,1299 -0.334,1300 2.111,1305 37.244,1306 103.871,1307 233.288,1308 310.056,1309 320.811,1310 320.811,1311 320.811,1312 66.931,1313 7.783,1314 149.11,1315 157.49,1316 23,1317 12.696,1318 4.392,1319 3.585,1320 54.068,1321 136,1322 170,1323 0.183,1324 233.763,1325 398.84,1326 562.143,1327 24449,1329 23.587,1330 0.715,1331 0.591,1332 23.837,1333 19.503,1334 15.707,1335 0.436,1336 0.342,1337 10.335,1338 14.143,1339 9.831,1340 8.168,1341 16.601,1342 12.322,1343 15.289,1344 0.294,1345 0.198,1346 16.676,1347 10.319,1348 11.59,1349 0.181,1350 0.109,1351 12.333,1352 6.995,1353 9.653,1354 0.116,1355 0.057,1356 10.171,1357 4.763,1358 7.599,1359 0.073,1360 0.031,1361 8.086,1362 3.223,1363 0.286,1364 108.742,1365 0.206,1366 30.592,1367 0.507,1368 176,1369 563.583,1370 231.047,1371 562.068,1372 758.66,1373 520,1374 204,1375 535.519,1376 264.116,1377 572.919,1378 823.2,1379 531,1380 7.796}
{0 CHEMBL2165005,1 1.785,2 11.875,3 1.097,4 1.203,5 117.49,6 8.153,7 0.514,8 4.148,9 4.265,10 3.909,11 3.648,12 5.262,13 3.631,14 4.693,15 4.867,16 4.19,17 4.014,18 5.954,19 3.987,20 4.903,21 5.093,22 4.173,23 4.133,24 6.038,25 4.092,26 4.963,27 5.199,28 4.074,29 4.118,30 6.049,31 4.042,32 4.867,33 5.097,34 4.083,35 4.126,36 5.874,37 4.045,38 4.911,39 5.139,40 4.147,41 4.125,42 6.009,43 4.057,44 4.886,45 5.117,46 4.139,47 4.084,48 5.975,49 4.027,50 4.85,51 5.06,52 4.097,53 4.033,54 6.023,55 3.982,56 0.15,57 0.934,58 13.027,59 4.925,60 21.399,61 5.923,62 0.604,63 1.415,64 26.101,65 8.35,66 70.792,67 10.345,68 0.636,69 1.634,70 31.715,71 9.173,72 75.997,73 12.093,74 0.839,75 1.615,76 32.382,77 10.027,78 83.384,79 14.17,80 0.457,81 1.6,82 29.547,83 9.825,84 47.415,85 14.094,86 0.649,87 1.641,88 29.756,89 9.587,90 64.832,91 13.449,92 0.608,93 1.602,94 31.253,95 8.596,96 55.096,97 12.443,98 0.627,99 1.515,100 27.053,101 8.191,102 70.264,103 11.501,104 27,105 50,106 0.291,107 0.642,108 0.824,109 0.844,110 0.844,111 0.844,112 3.502,113 1.012,114 -3.86,115 -3.82,116 -3.63,119 35.7,120 1,124 1,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 5,175 9,177 2,178 3,180 2,183 1,187 6,190 1,192 2,198 5,199 6,201 1,202 3,204 3,207 2,209 2,211 1,212 3,215 1,217 1,220 3,222 1,223 3,224 7,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 3,237 6,245 1,249 3,250 6,252 1,253 1,255 1,258 1,260 1,262 4,263 4,265 1,266 1,268 1,271 1,273 1,275 2092,276 21.229,277 21.229,278 21.229,279 21.229,280 21.229,281 18.705,282 29.533,283 12.294,284 22.227,285 17.237,286 17.237,287 17.237,288 17.237,289 17.237,290 13.268,291 41.057,292 5.842,293 18.75,294 4.022,295 1.87,296 0.755,297 0.634,298 0.634,299 0.634,300 4.196,304 1,305 1,306 813,307 3.24,311 442.964,318 1.891,319 40.549,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 71,331 380,332 4.685,333 5.127,334 6.711,335 4.071,336 3.208,337 4.475,338 2.95,339 10.891,340 2.971,341 4.452,342 3.177,343 6.547,344 4.044,345 3.091,346 4.145,347 0.916,348 10.402,349 2.712,350 4.067,351 2.922,352 5.617,353 3.614,354 2.682,355 3.674,356 0.86,357 7.727,358 2.508,359 3.988,360 2.874,361 5.544,362 3.557,363 2.614,364 3.586,365 0.4,366 7.581,367 2.46,368 3.675,369 2.717,370 5.412,371 3.381,372 2.456,373 2.963,374 0.172,375 7.097,376 2.27,377 3.466,378 2.438,379 5.147,380 3.098,381 2.175,382 2.749,384 6.355,385 1.995,386 3.257,387 2.427,388 4.973,389 2.962,390 2.013,391 2.481,393 5.861,394 1.902,395 3.232,396 2.218,397 4.826,398 2.796,399 1.879,400 2.429,402 5.232,403 1.722,404 3.118,405 2.084,406 4.618,407 2.69,408 1.758,409 2.245,411 4.963,412 1.632,413 2.55,414 1.873,415 3.946,416 2,417 1.059,418 1.575,420 2.928,421 0.994,422 2.5,423 1.138,424 3.802,425 1.959,426 1,427 1.5,428 2.372,429 0.957,430 2,431 1.066,432 3.414,433 1.938,434 1,435 1,436 2.275,437 0.924,438 1.804,439 1,440 3.18,441 1.512,442 0.632,443 0.712,445 1.323,446 0.551,447 1.603,448 0.679,449 3,450 1.344,451 0.415,452 0.469,454 0.847,455 0.384,456 1.355,457 0.381,458 2.753,459 1.054,460 0.122,461 0.143,463 0.275,464 0.114,465 15.033,466 0.47,467 0.949,468 0.03,469 45,470 1.406,471 22.5,472 0.703,473 22.5,474 0.703,475 25.95,476 0.811,477 35.367,478 0.632,479 35.865,480 1.121,481 8.637,482 0.27,483 6.672,484 0.208,485 0.137,486 0.055,487 0.293,493 0.761,494 1.59,495 0.815,496 1.3,497 0.747,498 0.997,499 0.865,500 1.042,501 1.041,502 1.06,503 0.576,504 0.875,505 1.299,506 1.239,507 1.19,508 1.141,509 1.324,510 1.085,511 0.943,512 0.833,513 0.835,514 0.778,515 1.037,516 0.96,517 0.556,518 1.17,519 0.835,520 1.022,521 0.476,522 1.02,523 0.816,524 0.96,525 0.814,526 0.858,527 0.812,528 0.972,529 0.879,530 1.074,531 0.96,532 0.953,533 0.642,534 0.951,535 1.06,536 1.183,537 0.941,538 0.993,539 1.028,540 1.103,541 9,542 0.235,543 3.111,544 1.938,545 1.982,546 0.924,547 0.913,548 0.618,549 0.464,550 0.433,551 13811,552 43842,553 2.056,554 42.9,556 16,558 2,559 3,560 3,564 1.75,565 1.91,566 3.508,567 0.977,569 1,573 99.979,574 1.785,575 3.937,576 5.053,577 5.173,578 5.173,579 5.173,580 3.093,581 4.289,582 4.965,583 3.708,584 1838.95,585 8.719,586 26977.4,591 325.212,592 1.574,593 4.918,594 0.257,595 0.007,596 0.062,597 0.04,598 0.045,599 0.02,600 0.019,601 0.013,602 0.011,603 0.011,604 0.486,605 0.33,606 0.88,607 0.731,608 167.697,609 -0.025,610 -0.302,611 0.175,612 -0.105,613 -0.146,614 -0.006,615 0.123,616 0.1,617 0.003,618 0.031,619 0.261,620 0.088,621 -0.273,622 -0.16,623 -0.242,624 -0.145,625 -0.206,626 -0.137,627 -0.013,628 0.13,629 -0.029,630 0.078,631 -0.086,632 0.002,633 0.042,634 -0.137,635 0.016,636 -0.056,637 0.003,638 -0.001,639 -0.01,640 0.068,641 0.009,642 0.033,643 -0.07,644 -0.008,645 -0.081,646 -0.013,647 -0.039,648 -0.019,649 -0.004,650 0.004,651 -0.106,652 -0.133,653 -0.117,654 -0.12,655 -0.086,656 -0.177,657 3.855,658 4.716,659 0.75,660 35.211,661 1.017,662 1.14,663 2.634,664 6.939,665 0.663,666 3.584,667 3.932,668 4.127,669 4.382,670 4.663,671 4.71,672 4.844,673 4.997,674 5.142,675 5.273,676 7.134,677 0.638,678 456.59,679 3.584,680 5.142,681 5.974,682 6.858,683 7.708,684 8.592,685 9.451,686 10.335,687 11.2,688 12.085,689 14.3,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 56,733 20,735 35,737 59,738 20,739 13,746 4,747 4,752 1,761 13,762 7,766 2,769 1,771 2,778 1,781 24,782 11,783 3,784 12,785 1,790 8,794 1,795 3,805 2,812 4,836 1,840 4,842 1,844 2,848 32,849 1,851 1,854 5,855 1,856 1,859 1,870 5.4,873 2,875 1,877 16.75,878 10.617,879 6.889,880 3.083,881 3.087,882 1.4,883 0.991,884 6.513,885 10.802,886 3.85,887 4.483,888 4.929,889 5.477,890 6.055,891 6.266,892 6.657,893 7.083,894 7.476,895 7.82,896 1,897 49,898 11.929,900 5.213,901 7.898,902 22.29,904 18.28,905 2.398,906 76.75,910 247.193,911 103.22,912 137.96,914 55.313,916 6.046,917 97.174,918 302.506,919 137.96,920 19.708,921 8.116,922 67.372,923 151.783,924 64.014,925 9.042,926 223.651,928 247.193,929 235.134,930 55.313,931 6.046,933 251.849,934 55.313,937 58.071,938 88.479,939 89.974,941 247.193,942 193.273,943 103.22,945 6.046,946 247.193,947 30.942,948 69.356,949 18.011,950 172.138,951 247.193,952 193.273,953 103.22,955 0.59,956 0.324,957 0.168,958 0.1,959 24,960 11,961 0.102,962 6,964 1,965 4.253,966 292.768,968 24,969 154,973 1,974 22.341,975 9.329,976 5.697,978 193.273,979 8.893,980 21.557,984 4.333,986 50.908,987 543.686,988 46,991 -2.938,993 23.431,999 56.942,1000 63.856,1001 0.307,1002 0.678,1003 0.87,1004 0.891,1005 0.891,1006 0.891,1007 5.103,1008 1.879,1009 5.994,1010 5.861,1011 4.615,1012 5.17,1013 3.078,1014 6.804,1015 4.457,1016 6.34,1017 1.758,1018 7.556,1019 5.232,1020 4.369,1021 5.231,1022 0.325,1023 7.861,1024 4.1,1025 7.682,1026 1.059,1027 9.216,1028 4.963,1029 6.263,1030 7.442,1031 5.041,1032 10.815,1033 5.936,1034 9.058,1035 1,1036 10.933,1037 2.928,1038 6.758,1039 8.25,1040 0.393,1041 12.648,1042 6.305,1043 10.463,1044 1,1045 12.688,1046 2.372,1047 8.182,1048 10.015,1049 7.186,1050 15.191,1051 7.672,1052 11.889,1053 0.632,1054 14.468,1055 2.275,1056 9.012,1057 11.156,1058 0.384,1059 17.344,1060 8.379,1061 13.332,1062 0.415,1063 16.269,1064 1.323,1065 10.255,1066 12.749,1067 9.348,1068 19.763,1069 9.556,1070 3.208,1071 0.122,1072 18.086,1073 0.847,1074 11.248,1075 14.053,1076 0.351,1077 22.047,1078 10.434,1079 3.091,1080 10.891,1081 19.916,1082 0.275,1083 12.421,1084 15.575,1085 11.511,1086 24.429,1087 11.532,1088 2.682,1089 10.402,1090 21.756,1091 4.475,1092 13.492,1093 16.96,1094 0.312,1095 26.765,1096 12.497,1097 2.614,1098 7.727,1099 23.606,1100 4.145,1101 14.64,1102 18.452,1103 13.675,1104 29.138,1105 13.566,1106 2.456,1107 7.581,1108 25.464,1109 3.674,1110 15.749,1111 19.88,1112 0.273,1113 31.495,1114 14.577,1115 2.175,1116 7.097,1117 27.328,1118 3.586,1119 16.891,1120 21.361,1121 15.838,1122 33.867,1123 15.637,1124 2.013,1125 6.355,1126 29.197,1127 2.963,1128 18.019,1129 22.813,1130 0.236,1131 36.233,1132 16.674,1133 13286,1134 23837,1135 23.057,1136 37.148,1137 52.074,1138 54.532,1139 53.476,1140 52.271,1141 52.208,1142 68.294,1143 10.598,1144 152.258,1145 48.185,1146 5.685,1147 7.127,1148 6.264,1149 5.214,1150 5.208,1151 7.475,1152 5.9,1153 17.779,1154 4.921,1155 17.313,1156 1.488,1157 1.558,1158 1.528,1159 1.493,1160 1.492,1161 1.951,1162 0.303,1163 4.35,1164 1.377,1165 4.078,1166 4.087,1167 4.733,1168 4.056,1169 7.713,1170 3.945,1171 3.977,1172 3.991,1173 3.972,1174 3.865,1175 6.999,1176 3.857,1177 3.844,1178 3.886,1179 3.802,1180 3.712,1181 5.259,1182 3.725,1183 3.723,1184 3.776,1185 3.686,1186 3.524,1187 5,1188 3.556,1189 3.402,1190 3.441,1191 3.388,1192 3.199,1193 4.859,1194 3.192,1195 3.259,1196 3.319,1197 3.121,1198 2.987,1199 4.668,1200 3,1201 3.17,1202 3.276,1203 2.993,1204 2.941,1205 4.41,1206 2.934,1207 3.111,1208 3.206,1209 2.908,1210 2.937,1211 4.21,1212 2.91,1213 0.134,1214 0.146,1215 0.192,1216 0.116,1217 0.092,1218 4.685,1219 0.128,1220 5.127,1221 0.084,1222 6.711,1223 0.311,1224 4.071,1225 0.085,1226 3.208,1227 4.475,1228 2.95,1229 10.891,1230 2.971,1231 1.948,1232 1.941,1233 2.015,1234 2.087,1235 1.432,1236 2.108,1237 1.88,1238 1.866,1239 1.922,1240 2.016,1241 1.111,1242 2.026,1243 1.785,1244 1.753,1245 1.865,1246 1.951,1247 0.939,1248 1.929,1249 1.632,1250 1.574,1251 1.761,1252 1.835,1253 0.825,1254 1.825,1255 1.285,1256 1.243,1257 1.571,1258 1.542,1259 0.799,1260 1.553,1261 1.194,1262 1.125,1263 1.513,1264 1.471,1265 0.675,1266 1.498,1267 1.153,1268 1.064,1269 1.46,1270 1.438,1271 0.573,1272 1.452,1273 1.132,1274 1.04,1275 1.354,1276 1.376,1277 0.401,1278 1.429,1279 4.263,1281 5.602,1283 7.124,1285 8.726,1287 10.369,1289 3.298,1293 5.852,1295 1.889,1296 3.24,1297 5.102,1300 2.093,1305 35.717,1306 99.979,1307 220.483,1308 282.947,1309 289.702,1310 289.702,1311 289.702,1312 61.257,1313 7.715,1314 149.11,1315 157.49,1316 24,1317 12.622,1318 4.392,1319 3.585,1320 51.569,1321 128,1322 162,1323 0.184,1324 224.171,1325 381.54,1326 538.738,1327 22543,1329 22.717,1330 0.71,1331 0.582,1332 22.967,1333 18.632,1334 15.309,1335 0.437,1336 0.337,1337 9.941,1338 13.716,1339 9.512,1340 7.865,1341 16.162,1342 11.806,1343 14.655,1344 0.293,1345 0.195,1346 15.987,1347 9.75,1348 11.282,1349 0.185,1350 0.108,1351 12.103,1352 6.61,1353 9.272,1354 0.117,1355 0.059,1356 9.929,1357 4.643,1358 7.863,1359 0.075,1360 0.035,1361 8.619,1362 3.665,1363 0.288,1364 105.946,1365 0.208,1366 29.842,1367 0.513,1368 170,1369 557.583,1370 225.047,1371 554.94,1372 748.98,1373 514,1374 196,1375 527.519,1376 256.227,1377 562.27,1378 809.81,1379 523,1380 7.137}
{0 CHEMBL2165006,1 1.555,2 11.267,3 3.581,4 12.824,5 112.588,6 7.833,7 0.727,8 4.042,9 4.168,10 3.654,11 3.572,12 5.231,13 3.573,14 4.511,15 4.684,16 3.987,17 3.915,18 5.69,19 3.896,20 4.671,21 4.86,22 4.006,23 4.023,24 5.764,25 3.984,26 4.75,27 4.976,28 3.953,29 4.023,30 5.799,31 3.957,32 4.728,33 4.943,34 3.987,35 4.048,36 5.794,37 3.987,38 4.777,39 5.005,40 4.018,41 4.043,42 5.857,43 3.988,44 4.759,45 4.993,46 3.959,47 4.002,48 5.825,49 3.949,50 4.696,51 4.915,52 3.892,53 3.961,54 5.757,55 3.9,56 0.046,57 0.814,58 9.408,59 3.971,60 9.796,61 5.139,62 0.324,63 1.231,64 17.34,65 6.674,66 29.792,67 8.81,68 0.227,69 1.426,70 20.516,71 7.222,72 27.266,73 9.874,74 0.372,75 1.472,76 24.246,77 8.382,78 36.794,79 11.736,80 0.267,81 1.476,82 22.794,83 8.1,84 32.226,85 11.524,86 0.339,87 1.533,88 24.874,89 8.306,90 39.387,91 11.851,92 0.403,93 1.493,94 24.719,95 7.532,96 40.057,97 10.864,98 0.221,99 1.385,100 22.462,101 7.645,102 31.845,103 10.775,104 11,105 45,106 0.257,107 0.609,108 0.788,109 0.86,110 0.869,111 0.869,112 3.441,113 0.854,114 -5.62,115 -5.49,116 -5.12,119 43.1,120 1,121 1,124 1,142 8,143 3,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 11,174 4,175 8,177 2,178 3,180 2,183 11,187 6,190 1,192 2,195 9,198 2,199 6,201 1,202 3,204 3,207 8,209 2,211 1,212 7,215 1,217 2,220 8,222 1,223 1,224 9,226 1,227 2,228 1,229 3,231 1,232 6,234 1,236 3,237 10,242 3,245 4,247 1,250 8,255 4,258 4,260 2,262 3,263 8,265 1,266 1,268 4,271 6,273 3,275 1752,276 20.488,277 20.488,278 20.488,279 20.488,280 20.488,281 17.552,282 26.664,283 12.252,284 21.073,285 16.292,286 16.292,287 16.292,288 16.292,289 16.292,290 11.93,291 38.333,292 5.848,293 17.17,294 4.118,295 1.992,296 0.907,297 0.476,298 0.422,299 0.422,300 4.139,304 1,305 1,306 729,307 2.739,311 406.234,318 1.684,319 22.425,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 64.5,331 338,332 4.453,333 3.178,334 6.547,335 4.053,336 3.093,337 4.147,338 0.86,339 10.402,340 2.975,341 4.071,342 2.914,343 5.62,344 3.634,345 2.685,346 3.678,347 0.68,348 7.742,349 2.606,350 4.014,351 2.873,352 5.557,353 3.609,354 2.644,355 3.602,356 0.4,357 7.609,358 2.507,359 3.892,360 2.714,361 5.416,362 3.447,363 2.503,364 3.439,366 7.11,367 2.351,368 3.536,369 2.428,370 5.149,371 3.14,372 2.195,373 2.885,375 6.365,376 2.088,377 3.442,378 2.207,379 5.001,380 3.045,381 2.082,382 2.742,384 5.94,385 1.972,386 3.232,387 2.084,388 4.828,389 2.796,390 1.879,391 2.481,393 5.236,394 1.722,395 3.154,396 1.875,397 4.618,398 2.7,399 1.769,400 2.395,402 4.963,403 1.641,404 2.862,405 1.496,406 3.947,407 2.413,408 1.415,409 2.018,411 3.057,412 1.411,413 2.55,414 1.134,415 3.593,416 2,417 1.058,418 1.575,420 2.912,421 1,422 2.5,423 1.066,424 3.414,425 2,426 1,427 1.5,428 2.275,429 0.994,430 2.5,431 1,432 3.247,433 1.959,434 1,435 1.5,436 2.136,437 0.957,438 1.797,439 1,440 3.133,441 1.494,442 0.623,443 0.703,445 1.229,446 0.538,447 1.542,448 0.583,449 2.844,450 1.233,451 0.308,452 0.367,454 0.63,455 0.283,456 1.145,457 0.16,458 2.743,459 0.846,460 -0.115,461 -0.14,463 -0.274,464 -0.11,465 14.133,466 0.471,467 0.656,468 0.022,469 45.75,470 1.525,471 25.5,472 0.85,473 20.25,474 0.675,475 20.68,476 0.689,477 30.867,478 0.605,479 34.463,480 1.149,481 9.204,482 0.307,483 5.398,484 0.18,485 0.099,487 0.318,493 0.975,494 1.339,495 0.756,496 1.046,497 1.06,498 0.894,499 0.851,500 0.941,501 0.777,502 0.897,503 0.643,504 0.853,505 1.12,506 1.214,507 1.045,508 1.078,509 1.049,510 1.047,511 0.91,512 0.927,513 0.985,514 0.953,515 0.878,516 0.975,517 0.776,518 1.152,519 0.955,520 1.046,521 0.989,522 1.022,523 0.887,524 1.049,525 0.919,526 0.952,527 0.905,528 0.935,529 1.087,530 0.963,531 1.039,532 0.874,533 1.06,534 0.918,535 1.072,536 1.201,537 1.05,538 1.114,539 1.109,540 1.075,541 6.5,542 0.161,543 2.222,544 1.688,545 1.6,546 0.813,547 0.749,548 0.5,549 0.374,550 0.282,551 11621,552 31695,553 2.107,554 41.2,555 2,556 11,558 2,559 3,560 3,564 1.735,565 2,566 3.434,567 0.9,569 1,573 79.296,574 1.555,575 3.681,576 4.765,577 5.197,578 5.251,579 5.251,580 2.927,581 4.257,582 4.872,583 3.601,584 1566.41,585 8.539,586 21824.8,588 1,590 1,591 289.294,592 1.295,593 4.851,594 0.197,595 0.006,596 0.049,597 0.038,598 0.038,599 0.018,600 0.017,601 0.012,602 0.01,603 0.008,604 0.392,605 0.17,606 0.88,607 0.659,608 153.421,609 -0.095,610 -0.185,611 0.044,612 -0.055,613 -0.183,614 0.007,615 0.241,616 0.14,617 0.119,618 0.079,619 0.269,620 0.068,621 -0.164,622 -0.128,623 -0.146,624 -0.123,625 -0.177,626 -0.128,627 0.023,628 0.093,629 -0.027,630 0.014,631 0.032,632 -0.014,633 0.01,634 -0.112,635 -0.032,636 -0.071,637 -0.069,638 -0.059,639 0.022,640 -0.018,641 0.041,642 0.003,643 0.047,644 0.019,645 -0.088,646 0.09,647 -0.068,648 0.051,649 -0.065,650 0.011,651 -0.139,652 -0.179,653 -0.102,654 -0.148,655 -0.092,656 -0.119,657 1.497,658 1.866,659 0.8,660 31.52,661 1.004,662 1.129,663 4.386,664 19.239,665 0.683,666 3.526,667 3.829,668 4.06,669 4.331,670 4.585,671 4.635,672 4.779,673 4.942,674 5.069,675 5.142,676 6.688,677 0.658,678 399.5,679 3.526,680 5.056,681 5.889,682 6.756,683 7.605,684 8.479,685 9.337,686 10.214,687 11.079,688 11.958,689 13.7,693 1,697 1,699 5,702 1,704 10,705 5,709 9,711 24,722 1,724 1,729 1,731 51,733 24,734 1,735 33,737 54,738 22,739 19,740 1,741 5,746 4,747 4,752 1,758 1,761 19,762 3,778 1,781 21,782 8,783 3,784 8,790 7,794 1,795 1,805 2,812 4,840 4,844 2,848 30,849 1,854 1,855 1,856 1,870 2,875 1,877 15,878 9.833,879 6.639,880 2.797,881 3.549,882 1.469,883 1.002,884 5.825,885 11.109,886 3.829,887 4.443,888 4.997,889 5.583,890 6.163,891 6.339,892 6.756,893 7.223,894 7.646,895 8.012,896 0.875,897 45,898 10.975,900 4.537,901 7.683,902 20.827,904 16.448,905 2.183,906 65.5,908 1,909 1,910 211.88,911 142.159,912 134.836,914 11,917 142.159,918 222.88,919 134.836,920 19.708,921 2.535,922 108.707,923 107.47,924 64.075,925 9.042,926 188.338,928 211.88,929 276.994,930 11,933 216.536,934 11,937 49.364,938 139.046,939 83.928,941 211.88,942 145.835,943 142.159,946 211.88,947 28.545,948 113.613,949 18.011,950 127.825,951 211.88,952 145.835,953 142.159,955 0.573,956 0.325,957 0.179,958 0.101,959 21,960 9,961 0.111,962 6,964 1,965 4.155,966 267.264,968 24,969 143.207,974 19.745,975 8.85,976 4.903,978 145.835,979 19.382,980 21.72,984 6.035,986 50.908,987 499.874,988 45,999 51.225,1000 57.604,1001 0.274,1002 0.649,1003 0.84,1004 0.916,1005 0.926,1006 0.926,1007 5.037,1008 1.769,1009 5.855,1010 5.236,1011 4.511,1012 5.13,1013 1.315,1014 6.616,1015 4.414,1016 6.242,1017 1.415,1018 7.376,1019 4.963,1020 4.007,1021 4.808,1023 7.368,1024 3.864,1025 7.534,1026 1.058,1027 8.989,1028 3.057,1029 6.057,1030 7.306,1031 0.945,1032 10.451,1033 5.872,1034 8.858,1035 1,1036 10.656,1037 2.912,1038 6.33,1039 7.736,1041 12.028,1042 6.099,1043 10.208,1044 1,1045 12.359,1046 2.275,1047 7.847,1048 9.713,1049 0.701,1050 14.629,1051 7.582,1052 11.576,1053 0.623,1054 14.087,1055 2.136,1056 8.509,1057 10.534,1059 16.605,1060 8.201,1061 12.961,1062 0.308,1063 15.837,1064 1.229,1065 9.788,1066 12.252,1067 0.525,1068 19.031,1069 9.449,1070 3.093,1071 -0.115,1072 17.603,1073 0.63,1074 10.659,1075 13.302,1077 21.205,1078 10.278,1079 2.685,1080 10.402,1081 19.384,1082 -0.274,1083 11.829,1084 14.877,1085 0.395,1086 23.569,1087 11.418,1088 2.644,1089 7.742,1090 21.177,1091 4.147,1092 12.812,1093 16.066,1095 25.834,1096 12.361,1097 2.503,1098 7.609,1099 22.982,1100 3.678,1101 13.938,1102 17.561,1103 0.298,1104 28.179,1105 13.454,1106 2.195,1107 7.11,1108 24.797,1109 3.602,1110 14.981,1111 18.836,1113 30.486,1114 14.458,1115 2.082,1116 6.365,1117 26.621,1118 3.439,1119 16.091,1120 20.287,1121 0.224,1122 32.826,1123 15.533,1124 1.879,1125 5.94,1126 28.452,1127 2.885,1128 17.167,1129 21.615,1131 35.152,1132 16.57,1133 11092,1134 18491,1135 22.364,1136 34.824,1137 48.907,1138 48.912,1139 49.497,1140 48.488,1141 48.509,1142 66.067,1143 3.88,1144 135.207,1145 46.091,1146 5.242,1147 5.178,1148 6.349,1149 5.153,1150 5.093,1151 7.147,1152 1.72,1153 17.29,1154 4.975,1155 12.716,1156 1.482,1157 1.482,1158 1.5,1159 1.469,1160 1.47,1161 2.002,1162 0.118,1163 4.097,1164 1.397,1165 4.026,1166 4.066,1167 3.988,1168 3.931,1169 5.259,1170 3.936,1171 3.883,1172 3.919,1173 3.82,1174 3.787,1175 5.001,1176 3.794,1177 3.837,1178 3.884,1179 3.797,1180 3.702,1181 4.867,1182 3.717,1183 3.695,1184 3.749,1185 3.646,1186 3.509,1187 4.738,1188 3.54,1189 3.292,1190 3.351,1191 3.168,1192 3.093,1193 4.662,1194 3.097,1195 3.185,1196 3.281,1197 3.021,1198 2.97,1199 4.405,1200 2.976,1201 3.146,1202 3.228,1203 2.985,1204 2.904,1205 4.03,1206 2.91,1207 2.922,1208 3.02,1209 2.814,1210 2.735,1211 3.97,1212 2.715,1213 0.135,1214 0.096,1215 0.198,1216 0.123,1217 0.094,1218 4.453,1219 0.126,1220 3.178,1221 0.026,1222 6.547,1223 0.315,1224 4.053,1225 0.09,1226 3.093,1227 4.147,1228 0.86,1229 10.402,1230 2.975,1231 1.966,1232 1.937,1233 2.073,1234 2.081,1235 1.227,1236 2.072,1237 1.858,1238 1.824,1239 1.95,1240 1.981,1241 1.009,1242 1.981,1243 1.778,1244 1.743,1245 1.875,1246 1.949,1247 0.92,1248 1.924,1249 1.619,1250 1.56,1251 1.764,1252 1.814,1253 0.782,1254 1.802,1255 1.235,1256 1.175,1257 1.571,1258 1.527,1259 0.608,1260 1.539,1261 1.178,1262 1.103,1263 1.465,1264 1.444,1265 0.57,1266 1.464,1267 1.109,1268 1.015,1269 1.369,1270 1.354,1271 0.247,1272 1.371,1273 0.886,1274 0.821,1275 1.181,1276 1.154,1277 0.218,1278 1.146,1279 4.205,1281 5.509,1283 7.008,1285 8.592,1287 10.222,1289 3.358,1293 5.866,1295 0.741,1296 3.282,1297 5.116,1305 33.552,1306 79.296,1307 187.71,1308 243.029,1309 265.029,1310 267.784,1311 267.784,1312 38.416,1313 7.561,1314 111.73,1315 111.73,1316 24,1317 12.498,1318 4.644,1319 3.7,1320 46.695,1321 112,1322 146,1323 0.19,1324 208.656,1325 350.23,1326 500.88,1327 18703,1329 20.924,1330 0.697,1331 0.557,1332 20.924,1333 16.702,1334 14.602,1335 0.442,1336 0.285,1337 9.244,1338 14.02,1339 8.967,1340 7.515,1341 14.602,1342 9.389,1343 13.051,1344 0.29,1345 0.148,1346 13.051,1347 6.681,1348 10.548,1349 0.185,1350 0.077,1351 10.548,1352 4.409,1353 9,1354 0.12,1355 0.041,1356 9,1357 3.041,1358 7.335,1359 0.076,1360 0.021,1361 7.335,1362 2.033,1363 0.295,1364 91.555,1365 0.211,1366 28.231,1367 0.536,1368 156,1369 459.606,1370 172.006,1371 452.841,1372 631.21,1373 426,1374 180,1375 478.024,1376 195.175,1377 488.392,1378 706.37,1379 457,1380 7.229}
{0 CHEMBL2165007,1 1.754,2 12.794,3 3.107,4 9.654,5 126.342,6 8.379,7 0.649,8 4.157,9 4.264,10 3.937,11 3.717,12 5.327,13 3.694,14 4.655,15 4.809,16 4.218,17 4.061,18 5.999,19 4.035,20 4.828,21 4.991,22 4.231,23 4.18,24 6.059,25 4.141,26 4.911,27 5.113,28 4.152,29 4.185,30 6.081,31 4.118,32 4.904,33 5.121,34 4.116,35 4.175,36 6.001,37 4.103,38 4.875,39 5.1,40 4.136,41 4.145,42 5.948,43 4.078,44 4.87,45 5.088,46 4.129,47 4.123,48 5.99,49 4.064,50 4.832,51 5.038,52 4.138,53 4.117,54 5.965,55 4.053,56 0.135,57 0.92,58 12.141,59 5.186,60 20.74,61 5.75,62 0.515,63 1.396,64 22.722,65 8.671,66 65.241,67 10.117,68 0.471,69 1.624,70 25.079,71 9.233,72 59.577,73 10.801,74 0.569,75 1.691,76 29.218,77 10.545,78 63.693,79 13.287,80 0.495,81 1.674,82 27.636,83 10.175,84 61.531,85 13.763,86 0.473,87 1.677,88 29.142,89 10.035,90 51.303,91 13.446,92 0.596,93 1.642,94 27.374,95 8.984,96 65.304,97 11.793,98 0.374,99 1.587,100 27.692,101 9.654,102 45.252,103 12.524,104 41,105 53,106 0.282,107 0.633,108 0.81,109 0.859,110 0.859,111 0.859,112 3.561,113 0.984,114 -5.03,115 -4.93,116 -4.62,119 40.4,120 1,121 1,124 2,142 7,143 3,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 9,174 5,175 8,177 2,178 3,180 2,183 9,187 10,190 1,192 2,195 8,198 2,199 10,201 1,202 3,204 3,207 7,209 2,211 1,212 9,215 1,217 2,220 7,222 1,223 1,224 11,226 1,227 2,228 1,229 3,231 1,232 5,234 1,236 3,237 11,242 3,245 3,247 1,250 10,255 4,258 4,260 2,262 5,263 8,265 1,266 1,268 3,271 6,273 3,275 2456,276 22.408,277 22.408,278 22.408,279 22.408,280 22.408,281 19.198,282 29.816,283 12.969,284 23.237,285 18.233,286 18.233,287 18.233,288 18.233,289 18.233,290 13.32,291 40.817,292 6.151,293 19.541,294 4.079,295 1.905,296 0.806,297 0.496,298 0.496,299 0.496,300 4.252,304 1,305 1,306 925,307 3.742,311 481.4,318 1.995,319 40.498,322 1,323 0.67,324 1,325 0.6,327 0.83,328 0.5,329 0.66,330 74.5,331 435,332 4.801,333 5.18,334 7.111,335 4.179,336 3.314,337 4.66,338 2.95,339 11.657,340 2.976,341 4.453,342 3.178,343 6.547,344 4.053,345 3.093,346 4.147,347 0.86,348 10.402,349 2.846,350 4.07,351 2.925,352 5.62,353 3.622,354 2.684,355 3.678,356 0.68,357 7.745,358 2.565,359 4.011,360 2.875,361 5.56,362 3.605,363 2.636,364 3.6,365 0.4,366 7.614,367 2.507,368 3.885,369 2.723,370 5.417,371 3.439,372 2.494,373 3.427,375 7.114,376 2.34,377 3.542,378 2.614,379 5.15,380 3.134,381 2.192,382 2.892,384 6.373,385 2.074,386 3.445,387 2.407,388 5.025,389 3.042,390 2.079,391 2.743,393 6.006,394 1.971,395 3.232,396 2.139,397 4.83,398 2.796,399 1.879,400 2.481,402 5.243,403 1.722,404 3.164,405 2.081,406 4.618,407 2.702,408 1.771,409 2.407,411 4.963,412 1.643,413 3.039,414 1.871,415 4.558,416 2.532,417 1.557,418 2.24,420 4.606,421 1.509,422 2.55,423 1.14,424 3.946,425 2,426 1.058,427 1.575,428 2.926,429 1,430 2.5,431 1.066,432 3.414,433 2,434 1,435 1.5,436 2.275,437 0.994,438 2.5,439 1,440 3.414,441 1.959,442 1,443 1.5,445 2.275,446 0.957,447 1.801,448 1,449 3.17,450 1.497,451 0.625,452 0.706,454 1.255,455 0.541,456 1.563,457 0.988,458 2.983,459 1.256,460 0.33,461 0.392,463 0.68,464 0.303,465 16.133,466 0.475,467 1.051,468 0.031,469 51.25,470 1.507,471 28.5,472 0.838,473 22.75,474 0.669,475 25.65,476 0.754,477 36.067,478 0.633,479 42.028,480 1.236,481 9.997,482 0.294,483 6.209,484 0.183,485 0.159,486 0.052,487 0.31,493 0.73,494 1.362,495 0.806,496 1.179,497 0.787,498 0.917,499 0.763,500 0.952,501 0.913,502 0.984,503 0.566,504 0.829,505 1.251,506 1.177,507 1.093,508 1.046,509 1.225,510 1.052,511 0.955,512 0.976,513 0.996,514 0.992,515 0.916,516 1.056,517 0.766,518 1.073,519 0.792,520 0.893,521 0.831,522 1.013,523 0.662,524 1.045,525 0.857,526 0.933,527 0.471,528 0.946,529 1.011,530 0.934,531 0.898,532 0.779,533 0.897,534 0.92,535 0.831,536 1.217,537 0.952,538 1.106,539 0.642,540 1.049,541 9.5,542 0.322,543 3.556,544 2.25,545 1.911,546 1.167,547 0.872,548 0.681,549 0.477,550 0.416,551 16413,552 52937,553 2.035,554 40.4,555 2,556 13,558 2,559 3,560 3,564 1.764,565 1.88,566 3.601,567 0.899,569 1,573 99.985,574 1.754,575 3.928,576 5.027,577 5.337,578 5.337,579 5.337,580 3.076,581 4.337,582 5.053,583 3.821,584 2143.34,585 8.887,586 33123.4,591 332.475,592 1.611,593 4.999,594 0.257,595 0.009,596 0.067,597 0.042,598 0.039,599 0.024,600 0.018,601 0.014,602 0.01,603 0.009,604 0.49,605 0.17,606 0.75,607 0.832,608 182.446,609 -0.011,610 -0.168,611 0.164,612 -0.058,613 -0.194,614 0.018,615 0.213,616 0.14,617 0.065,618 0.06,619 0.294,620 0.113,621 -0.256,622 -0.094,623 -0.215,624 -0.09,625 -0.183,626 -0.14,627 -0.074,628 0.039,629 -0.13,630 -0.066,631 -0.054,632 -0.097,633 -0.033,634 -0.086,635 -0.014,636 -0.019,637 -0.093,638 -0.035,639 0.022,640 -0.019,641 0.021,642 -0.011,643 0.03,644 0.035,645 -0.138,646 0.108,647 -0.061,648 0.085,649 -0.115,650 0.01,651 -0.069,652 -0.19,653 -0.031,654 -0.135,655 0.021,656 -0.069,657 4.168,658 4.725,659 0.706,660 40.028,661 1.015,662 1.129,663 3.804,664 14.473,665 0.687,666 3.638,667 3.989,668 4.19,669 4.431,670 4.682,671 4.779,672 4.905,673 5.05,674 5.176,675 5.303,676 7.638,677 0.661,678 477.6,679 3.638,680 5.198,681 6.033,682 6.917,683 7.769,684 8.653,685 9.513,686 10.399,687 11.263,688 12.149,689 12.3,693 1,697 1,699 5,702 1,704 9,705 5,709 10,711 24,722 1,724 1,729 1,731 57,733 26,734 1,735 37,737 60,738 23,739 19,740 2,741 4,746 4,747 4,752 1,758 1,761 19,762 4,766 2,769 1,771 2,781 23,782 10,783 3,784 11,785 1,790 7,794 1,795 3,805 2,812 4,840 4,842 1,844 3,848 34,849 1,851 1,854 1,855 1,856 1,870 5.3,873 2,875 1,877 18.083,878 11.25,879 7.306,880 3.006,881 3.664,882 1.467,883 0.996,884 6.734,885 11.514,886 3.951,887 4.615,888 5.121,889 5.687,890 6.264,891 6.511,892 6.897,893 7.315,894 7.743,895 8.154,896 0.889,897 53,898 12.644,900 5.504,901 7.914,902 23.402,904 18.88,905 2.414,906 82.083,910 235.422,911 147.469,912 134.836,914 55.313,916 6.046,917 141.423,918 290.735,919 134.836,920 26.899,921 2.535,922 105.277,923 151.783,924 65.626,925 9.042,926 211.88,928 235.422,929 276.259,930 55.313,931 6.046,933 240.078,934 55.313,937 49.364,938 138.311,939 89.974,941 235.422,942 190.148,943 147.469,945 6.046,946 235.422,947 30.096,948 111.327,949 18.011,950 172.138,951 235.422,952 190.148,953 147.469,955 0.591,956 0.327,957 0.167,958 0.093,959 25,960 12,961 0.117,962 7,964 1,965 4.395,966 316.459,968 24,969 166.974,973 1,974 23.557,975 9.719,976 5.863,978 190.148,979 15.628,980 21.586,984 5.446,986 50.908,987 573.04,988 51,991 -3.251,993 23.45,999 57.84,1000 64.358,1001 0.301,1002 0.673,1003 0.862,1004 0.915,1005 0.915,1006 0.915,1007 5.193,1008 1.879,1009 6.057,1010 6.006,1011 4.673,1012 5.303,1013 3.051,1014 6.876,1015 4.543,1016 6.447,1017 1.771,1018 7.629,1019 5.243,1020 4.443,1021 5.338,1023 7.947,1024 4.192,1025 7.793,1026 1.557,1027 9.304,1028 4.963,1029 6.326,1030 7.604,1031 5.037,1032 10.936,1033 6.048,1034 9.175,1035 1.058,1036 11.043,1037 4.606,1038 6.847,1039 8.394,1041 12.815,1042 6.422,1043 10.586,1044 1,1045 12.824,1046 2.926,1047 8.27,1048 10.203,1049 7.186,1050 15.404,1051 7.814,1052 12.02,1053 1,1054 14.636,1055 2.275,1056 9.133,1057 11.349,1059 17.618,1060 8.526,1061 13.473,1062 0.625,1063 16.474,1064 2.275,1065 10.384,1066 12.978,1067 9.348,1068 20.09,1069 9.726,1070 3.314,1071 0.33,1072 18.332,1073 1.255,1074 11.41,1075 14.305,1077 22.439,1078 10.609,1079 3.093,1080 11.657,1081 20.207,1082 0.68,1083 12.599,1084 15.859,1085 11.511,1086 24.879,1087 11.725,1088 2.684,1089 10.402,1090 22.096,1091 4.66,1092 13.701,1093 17.28,1095 27.281,1096 12.696,1097 2.636,1098 7.745,1099 23.996,1100 4.147,1101 14.872,1102 18.807,1103 13.675,1104 29.715,1105 13.777,1106 2.494,1107 7.614,1108 25.906,1109 3.678,1110 16.011,1111 20.277,1113 32.139,1114 14.793,1115 2.192,1116 7.114,1117 27.823,1118 3.6,1119 17.18,1120 21.796,1121 15.838,1122 34.575,1123 15.862,1124 2.079,1125 6.373,1126 29.747,1127 3.427,1128 18.338,1129 23.293,1131 37.008,1132 16.902,1133 15872,1134 28681,1135 24.156,1136 39.142,1137 55.76,1138 58.084,1139 56.779,1140 55.499,1141 55.425,1142 75.897,1143 9.78,1144 162.268,1145 51.895,1146 5.592,1147 7.18,1148 6.664,1149 5.279,1150 5.314,1151 7.66,1152 5.9,1153 18.546,1154 4.976,1155 19.829,1156 1.507,1157 1.57,1158 1.535,1159 1.5,1160 1.498,1161 2.051,1162 0.264,1163 4.386,1164 1.403,1165 4.096,1166 4.095,1167 4.735,1168 4.1,1169 7.716,1170 4.013,1171 3.981,1172 3.997,1173 3.979,1174 3.875,1175 6.999,1176 3.87,1177 3.845,1178 3.886,1179 3.804,1180 3.721,1181 5.259,1182 3.729,1183 3.751,1184 3.79,1185 3.753,1186 3.622,1187 5.001,1188 3.599,1189 3.619,1190 3.632,1191 3.617,1192 3.483,1193 4.864,1194 3.482,1195 3.282,1196 3.342,1197 3.154,1198 3.051,1199 4.691,1200 3.059,1201 3.176,1202 3.279,1203 3.002,1204 2.962,1205 4.649,1206 2.963,1207 3.11,1208 3.186,1209 2.972,1210 2.885,1211 4.405,1212 2.892,1213 0.13,1214 0.14,1215 0.192,1216 0.113,1217 0.09,1218 4.801,1219 0.126,1220 5.18,1221 0.08,1222 7.111,1223 0.315,1224 4.179,1225 0.08,1226 3.314,1227 4.66,1228 2.95,1229 11.657,1230 2.976,1231 2.005,1232 2.008,1233 2.061,1234 2.087,1235 1.276,1236 2.102,1237 1.896,1238 1.873,1239 1.944,1240 2.015,1241 1.101,1242 2.024,1243 1.787,1244 1.756,1245 1.872,1246 1.951,1247 0.949,1248 1.93,1249 1.651,1250 1.62,1251 1.763,1252 1.84,1253 0.855,1254 1.842,1255 1.533,1256 1.513,1257 1.591,1258 1.673,1259 0.762,1260 1.715,1261 1.216,1262 1.152,1263 1.569,1264 1.521,1265 0.582,1266 1.536,1267 1.162,1268 1.082,1269 1.452,1270 1.443,1271 0.555,1272 1.462,1273 1.08,1274 0.994,1275 1.34,1276 1.313,1277 0.244,1278 1.332,1279 4.317,1281 5.659,1283 7.183,1285 8.786,1287 10.43,1289 4.476,1293 5.866,1295 0.536,1296 3.239,1297 5.108,1305 37.696,1306 99.985,1307 223.876,1308 286.559,1309 304.21,1310 304.21,1311 304.21,1312 65.438,1313 7.85,1314 145.87,1315 154.25,1316 24,1317 12.685,1318 4.755,1319 3.907,1320 56.677,1321 147,1322 178,1323 0.177,1324 237.372,1325 403.62,1326 570.947,1327 26865,1329 24.294,1330 0.715,1331 0.578,1332 24.544,1333 19.666,1334 16.207,1335 0.438,1336 0.328,1337 10.24,1338 14.739,1339 9.721,1340 8.132,1341 17.101,1342 12.137,1343 15.631,1344 0.295,1345 0.182,1346 17.018,1347 9.627,1348 11.895,1349 0.183,1350 0.093,1351 12.652,1352 6.046,1353 9.841,1354 0.119,1355 0.047,1356 10.357,1357 3.93,1358 7.89,1359 0.074,1360 0.024,1361 8.258,1362 2.621,1363 0.279,1364 111.13,1365 0.203,1366 31.479,1367 0.487,1368 180,1369 581.938,1370 232.965,1371 585.953,1372 795.72,1373 542,1374 208,1375 565.749,1376 265.007,1377 608.175,1378 873.67,1379 565,1380 8.523}
{0 CHEMBL2165008,1 1.568,2 10.793,3 2.141,4 4.584,5 108.933,6 7.406,7 0.563,8 4.082,9 4.221,10 3.648,11 3.544,12 5.19,13 3.546,14 4.611,15 4.814,16 3.989,17 3.913,18 5.691,19 3.891,20 4.782,21 5.007,22 3.971,23 4.021,24 5.771,25 3.964,26 4.827,27 5.085,28 3.942,29 4.014,30 5.8,31 3.938,32 4.763,33 4.985,34 3.979,35 4.042,36 5.779,37 3.976,38 4.836,39 5.077,40 4.003,41 4.042,42 5.864,43 3.975,44 4.81,45 5.06,46 3.935,47 3.983,48 5.803,49 3.922,50 4.744,51 4.972,52 3.884,53 3.931,54 5.757,55 3.871,56 0.047,57 0.864,58 11.144,59 3.987,60 9.86,61 5.835,62 0.398,63 1.305,64 21.475,65 6.716,66 33.154,67 9.936,68 0.296,69 1.475,70 25.836,71 7.63,72 30.622,73 11.966,74 0.458,75 1.46,76 28.5,77 8.63,78 40.795,79 13.3,80 0.274,81 1.48,82 25.016,83 8.071,84 32.061,85 12.538,86 0.435,87 1.532,88 27.92,89 8.434,90 43.139,91 13.06,92 0.446,93 1.46,94 27.655,95 7.233,96 40.344,97 11.862,98 0.308,99 1.385,100 25.018,101 7.005,102 34.223,103 11.156,104 11,105 44,106 0.26,107 0.629,108 0.825,109 0.846,110 0.846,111 0.846,112 3.408,113 0.898,114 -4.65,115 -4.57,116 -4.3,119 37.7,120 1,121 2,124 1,125 3,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 4,174 4,175 11,177 2,178 3,180 2,183 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 4,209 2,211 1,212 3,215 1,217 1,220 5,222 1,223 3,224 7,226 1,227 3,228 1,229 2,231 1,232 5,234 1,236 3,237 4,245 1,249 1,250 8,252 1,253 1,255 3,258 1,260 1,262 4,263 4,265 1,266 1,268 1,271 1,273 1,275 1585,276 19.781,277 19.781,278 19.781,279 19.781,280 19.781,281 17.596,282 29.615,283 11.752,284 20.473,285 15.792,286 15.792,287 15.792,288 15.792,289 15.792,290 12.458,291 41.268,292 5.598,293 16.847,294 4.16,295 1.938,296 0.76,297 0.632,298 0.632,299 0.632,300 4.105,304 1,305 1,306 677,307 2.739,310 89.896,311 285.969,318 1.608,319 23.101,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 63,331 313,332 4.452,333 3.18,334 6.547,335 4.052,336 3.093,337 4.145,338 0.916,339 10.402,340 2.971,341 4.068,342 2.961,343 5.62,344 3.617,345 2.687,346 3.674,347 0.86,348 7.746,349 2.51,350 3.989,351 2.876,352 5.561,353 3.596,354 2.651,355 3.586,356 0.4,357 7.615,358 2.503,359 3.7,360 2.724,361 5.417,362 3.434,363 2.509,364 2.969,365 0.172,366 7.114,367 2.319,368 3.472,369 2.461,370 5.149,371 3.134,372 2.198,373 2.75,375 6.368,376 2.064,377 3.342,378 2.263,379 5.009,380 3.041,381 2.084,382 2.481,384 5.96,385 1.969,386 3.232,387 2.084,388 4.828,389 2.796,390 1.879,391 2.468,393 5.237,394 1.722,395 3.14,396 1.876,397 4.618,398 2.698,399 1.767,400 2.335,402 4.963,403 1.638,404 2.55,405 1.263,406 3.947,407 2.14,408 1.168,409 1.575,411 2.936,412 1.133,413 2.5,414 1.129,415 3.438,416 2,417 1.058,418 1.5,420 2.568,421 0.994,422 2.202,423 1.066,424 3.414,425 1.959,426 1,427 1.196,428 2.275,429 0.957,430 1.783,431 1,432 3.111,433 1.591,434 0.618,435 0.694,436 1.372,437 0.6,438 1.618,439 0.744,440 3,441 1.485,442 0.618,443 0.618,445 1.193,446 0.532,447 1.485,448 0.56,449 2.77,450 1.188,451 0.274,452 0.319,454 0.564,455 0.249,456 1,457 0.095,458 2.714,459 0.72,460 -0.216,461 -0.247,463 -0.503,464 -0.201,465 13.533,466 0.467,467 0.656,468 0.023,469 40,470 1.379,471 19.5,472 0.672,473 20.5,474 0.707,475 22.883,476 0.789,477 31.467,478 0.594,479 29.684,480 1.024,481 7.78,482 0.268,483 6.322,484 0.218,485 0.103,487 0.325,493 0.991,494 1.596,495 0.798,496 1.215,497 0.991,498 1.007,499 0.979,500 0.999,501 0.831,502 0.89,503 0.58,504 0.853,505 1.085,506 1.237,507 1.038,508 1.098,509 0.898,510 1.058,511 0.836,512 0.847,513 0.87,514 0.853,515 0.777,516 0.864,517 0.743,518 1.25,519 0.935,520 1.119,521 0.985,522 1.059,523 0.81,524 1.017,525 0.943,526 1.008,527 0.927,528 0.995,529 1.085,530 1.021,531 1.028,532 0.901,533 1.106,534 0.929,535 1.14,536 1.284,537 1.131,538 1.197,539 1.231,540 1.157,541 6.5,542 0.159,543 2.222,544 1.722,545 1.484,546 0.854,547 0.71,548 0.465,549 0.377,550 0.251,551 10583,552 26694,553 2.111,554 45.3,556 12,558 2,559 3,560 3,561 4,564 1.726,565 2,566 3.373,567 0.96,568 1,569 1,573 83.102,574 1.568,575 3.79,576 4.968,577 5.096,578 5.096,579 5.096,580 2.889,581 4.306,582 4.824,583 3.549,584 1440.88,585 8.441,586 19541.8,588 1,590 1,591 303.58,592 1.314,593 4.8,594 0.203,595 0.007,596 0.051,597 0.041,598 0.036,599 0.02,600 0.017,601 0.012,602 0.01,603 0.008,604 0.403,605 0.17,606 1,607 0.674,608 146.423,609 -0.087,610 -0.333,611 0.061,612 -0.126,613 -0.082,614 -0.023,615 0.144,616 0.123,617 0.116,618 0.108,619 0.327,620 0.1,621 -0.146,622 -0.155,623 -0.094,624 -0.106,625 -0.03,626 -0.092,627 0.076,628 0.153,629 0.105,630 0.129,631 0.129,632 0.119,633 0.017,634 -0.165,635 -0.014,636 -0.091,637 -0.06,638 -0.062,639 0.091,640 0.037,641 0.014,642 -0.031,643 0.044,644 -0.027,645 -0.095,646 0.03,647 -0.051,648 0.034,649 -0.098,650 0.01,651 -0.135,652 -0.205,653 -0.176,654 -0.235,655 -0.167,656 -0.212,657 1.477,658 1.866,659 0.793,660 29.413,661 1.004,662 1.142,663 3.423,664 11.718,665 0.653,666 3.497,667 3.807,668 4.043,669 4.317,670 4.522,671 4.615,672 4.762,673 4.913,674 5.043,675 5.106,676 6.482,677 0.625,678 392.52,679 3.497,680 5.03,681 5.866,682 6.737,683 7.589,684 8.465,685 9.326,686 10.205,687 11.071,688 11.952,689 15.1,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 53,733 18,735 32,737 56,738 20,739 13,746 4,747 4,752 1,755 2,758 2,761 13,762 7,778 1,781 24,782 9,783 3,784 9,790 8,794 1,795 1,805 2,808 1,811 1,812 3,836 1,840 4,844 2,848 29,849 1,854 5,855 1,856 1,859 1,870 1.9,875 1,877 14.5,878 10.117,879 6.389,880 3.111,881 3.145,882 1.421,883 0.991,884 5.837,885 10.619,886 3.738,887 4.324,888 4.862,889 5.439,890 6.002,891 6.231,892 6.623,893 7.047,894 7.429,895 7.733,896 1,897 42,898 10.654,900 4.422,901 7.632,902 20.49,904 16.452,905 2.132,906 61.833,910 247.193,911 100.443,912 137.96,914 11,917 100.443,918 258.193,919 137.96,920 19.708,921 11.386,922 61.326,923 107.47,924 64.014,925 9.042,926 223.651,928 247.193,929 238.403,930 11,933 204.765,934 58.084,937 61.34,938 88.479,939 83.928,941 247.193,942 148.96,943 100.443,946 247.193,947 34.212,948 69.356,949 18.011,950 127.825,951 247.193,952 148.96,953 100.443,955 0.576,956 0.328,957 0.18,958 0.095,959 21,960 9,961 0.107,962 6,964 1,965 4.075,966 256.161,968 23,969 136.881,974 19.496,975 8.683,976 4.785,978 148.96,979 9.31,980 21.775,984 5.091,986 50.908,987 496.596,988 41,999 53.211,1000 60.517,1001 0.274,1002 0.662,1003 0.867,1004 0.89,1005 0.89,1006 0.89,1007 4.966,1008 1.767,1009 5.838,1010 5.237,1011 4.489,1012 5.011,1013 1.459,1014 6.605,1015 4.367,1016 6.156,1017 1.168,1018 7.363,1019 4.963,1020 4.007,1021 4.745,1022 0.325,1023 7.368,1024 3.83,1025 7.448,1026 1.058,1027 8.98,1028 2.936,1029 6.043,1030 7.158,1031 1.132,1032 10.448,1033 5.809,1034 8.771,1035 1,1036 10.65,1037 2.568,1038 6.347,1039 7.658,1040 0.393,1041 12.033,1042 6.063,1043 10.121,1044 0.618,1045 12.355,1046 2.275,1047 7.839,1048 9.566,1049 0.925,1050 14.629,1051 7.507,1052 11.49,1053 0.618,1054 14.086,1055 1.372,1056 8.525,1057 10.448,1058 0.384,1059 16.608,1060 8.15,1061 12.875,1062 0.274,1063 15.836,1064 1.193,1065 9.785,1066 12.121,1067 0.765,1068 19.032,1069 9.366,1070 3.093,1071 -0.216,1072 17.603,1073 0.564,1074 10.672,1075 13.22,1076 0.351,1077 21.206,1078 10.214,1079 2.687,1080 10.402,1081 19.384,1082 -0.503,1083 11.831,1084 14.768,1085 0.634,1086 23.57,1087 11.334,1088 2.651,1089 7.746,1090 21.178,1091 4.145,1092 12.822,1093 15.994,1094 0.312,1095 25.835,1096 12.289,1097 2.509,1098 7.615,1099 22.983,1100 3.674,1101 13.942,1102 17.474,1103 0.525,1104 28.18,1105 13.372,1106 2.198,1107 7.114,1108 24.798,1109 3.586,1110 14.989,1111 18.774,1112 0.273,1113 30.486,1114 14.384,1115 2.084,1116 6.368,1117 26.622,1118 2.969,1119 16.096,1120 20.218,1121 0.433,1122 32.827,1123 15.455,1124 1.879,1125 5.96,1126 28.454,1127 2.75,1128 17.173,1129 21.563,1130 0.236,1131 35.152,1132 16.498,1133 10087,1134 16221,1135 21.671,1136 34.591,1137 47.191,1138 47.578,1139 47.861,1140 47.215,1141 47.211,1142 60.62,1143 4.698,1144 132.625,1145 44.32,1146 5.38,1147 5.18,1148 6.162,1149 5.152,1150 5.093,1151 7.145,1152 1.776,1153 17.29,1154 4.924,1155 12.417,1156 1.475,1157 1.487,1158 1.496,1159 1.475,1160 1.475,1161 1.894,1162 0.147,1163 4.145,1164 1.385,1165 4.016,1166 4.063,1167 3.979,1168 3.885,1169 5.259,1170 3.901,1171 3.852,1172 3.904,1173 3.802,1174 3.718,1175 5,1176 3.731,1177 3.821,1178 3.882,1179 3.732,1180 3.646,1181 4.859,1182 3.653,1183 3.69,1184 3.748,1185 3.615,1186 3.504,1187 4.669,1188 3.531,1189 3.289,1190 3.351,1191 3.159,1192 3.061,1193 4.413,1194 3.072,1195 3.181,1196 3.28,1197 3.006,1198 2.963,1199 4.312,1200 2.966,1201 3.135,1202 3.223,1203 2.977,1204 2.884,1205 4.03,1206 2.893,1207 2.922,1208 3.02,1209 2.808,1210 2.695,1211 3.934,1212 2.701,1213 0.139,1214 0.099,1215 0.205,1216 0.127,1217 0.097,1218 4.452,1219 0.13,1220 3.18,1221 0.029,1222 6.547,1223 0.325,1224 4.052,1225 0.093,1226 3.093,1227 4.145,1228 0.916,1229 10.402,1230 2.971,1231 1.92,1232 1.884,1233 1.997,1234 2.071,1235 1.211,1236 2.049,1237 1.79,1238 1.756,1239 1.894,1240 1.953,1241 1.177,1242 1.933,1243 1.651,1244 1.587,1245 1.86,1246 1.879,1247 0.978,1248 1.859,1249 1.577,1250 1.507,1251 1.794,1252 1.751,1253 0.904,1254 1.793,1255 1.447,1256 1.37,1257 1.669,1258 1.69,1259 0.774,1260 1.686,1261 1.206,1262 1.137,1263 1.569,1264 1.517,1265 0.58,1266 1.533,1267 1.148,1268 1.056,1269 1.44,1270 1.442,1271 0.541,1272 1.46,1273 1.019,1274 0.939,1275 1.285,1276 1.255,1277 0.226,1278 1.273,1279 4.174,1281 5.485,1282 2.398,1283 6.978,1284 4.443,1285 8.558,1286 6.26,1287 10.185,1289 3.38,1293 5.866,1295 5.57,1296 3.298,1297 5.118,1300 2.425,1305 33.1,1306 83.102,1307 200.851,1308 263.315,1309 270.07,1310 270.07,1311 270.07,1312 37.279,1313 7.474,1314 114.97,1315 114.97,1316 23,1317 12.491,1318 4.248,1319 3.322,1320 44.371,1321 105,1322 138,1323 0.194,1324 205.048,1325 345.45,1326 492.076,1327 16637,1329 20.217,1330 0.697,1331 0.572,1332 20.217,1333 16.591,1334 14.102,1335 0.441,1336 0.299,1337 9.397,1338 13.417,1339 9.143,1340 7.624,1341 14.102,1342 9.574,1343 12.697,1344 0.289,1345 0.159,1346 12.697,1347 7.002,1348 10.298,1349 0.184,1350 0.085,1351 10.298,1352 4.763,1353 8.823,1354 0.119,1355 0.046,1356 8.823,1357 3.398,1358 6.722,1359 0.074,1360 0.022,1361 6.722,1362 2.014,1363 0.299,1364 89.168,1365 0.215,1366 27.4,1367 0.547,1368 152,1369 443.251,1370 170.087,1371 430.981,1372 599.94,1373 406,1374 176,1375 454.137,1376 193.84,1377 461.204,1378 670.53,1379 431,1380 6.569}
{0 CHEMBL2165009,1 1.549,2 11.267,3 2.597,4 6.746,5 113.534,6 7.26,7 0.545,8 4.13,9 4.27,10 3.678,11 3.594,12 5.219,13 3.589,14 4.666,15 4.871,16 4.014,17 3.965,18 5.722,19 3.933,20 4.866,21 5.096,22 4.035,23 4.102,24 5.825,25 4.039,26 4.936,27 5.199,28 3.978,29 4.102,30 5.865,31 4.009,32 4.859,33 5.098,34 4.005,35 4.105,36 5.828,37 4.024,38 4.893,39 5.139,40 4.043,41 4.099,42 5.901,43 4.027,44 4.872,45 5.119,46 3.986,47 4.053,48 5.856,49 3.986,50 4.824,51 5.061,52 3.932,53 4.004,54 5.813,55 3.935,56 0.036,57 0.902,58 12.09,59 4.304,60 10.416,61 6.376,62 0.391,63 1.367,64 23.09,65 7.28,66 34.349,67 10.871,68 0.288,69 1.592,70 28.625,71 8.512,72 32.466,73 13.479,74 0.474,75 1.593,76 32.105,77 9.764,78 43.249,79 15.182,80 0.283,81 1.573,82 28.501,83 9.119,84 35.423,85 14.342,86 0.432,87 1.609,88 30.007,89 9.119,90 45.118,91 14.21,92 0.426,93 1.558,94 29.506,95 7.879,96 41.485,97 12.971,98 0.32,99 1.482,100 27.758,101 7.698,102 37.535,103 12.433,104 11,105 45,106 0.255,107 0.612,108 0.814,109 0.85,110 0.85,111 0.85,112 3.441,113 0.916,114 -4.88,115 -4.78,116 -4.49,119 37.5,120 1,121 3,124 1,125 3,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 5,174 4,175 11,177 2,178 3,180 2,183 2,187 7,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 4,209 2,211 1,212 3,215 1,217 1,220 6,222 1,223 3,224 7,226 1,227 3,228 1,229 2,231 1,232 6,234 1,236 3,237 5,245 2,249 1,250 8,252 1,253 1,255 3,258 1,260 1,262 4,263 6,265 1,266 1,268 2,271 1,273 1,275 1752,276 20.488,277 20.488,278 20.488,279 20.488,280 20.488,281 18.303,282 29.615,283 12.252,284 21.181,285 16.292,286 16.292,287 16.292,288 16.292,289 16.292,290 12.958,291 41.268,292 5.848,293 17.347,294 4.258,295 2.081,296 0.853,297 0.634,298 0.634,299 0.634,300 4.139,304 1,305 1,306 729,307 2.739,311 406.234,318 1.684,319 23.402,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65,331 338,332 4.452,333 3.179,334 6.547,335 4.052,336 3.093,337 4.145,338 0.916,339 10.402,340 2.97,341 4.068,342 2.952,343 5.62,344 3.616,345 2.685,346 3.674,347 0.86,348 7.742,349 2.508,350 3.989,351 2.876,352 5.557,353 3.59,354 2.644,355 3.586,356 0.4,357 7.609,358 2.498,359 3.694,360 2.723,361 5.416,362 3.428,363 2.503,364 2.967,365 0.172,366 7.11,367 2.313,368 3.471,369 2.457,370 5.149,371 3.131,372 2.195,373 2.75,375 6.365,376 2.061,377 3.33,378 2.258,379 5.001,380 3.04,381 2.082,382 2.481,384 5.94,385 1.97,386 3.232,387 2.084,388 4.828,389 2.796,390 1.879,391 2.457,393 5.236,394 1.722,395 3.139,396 1.876,397 4.618,398 2.699,399 1.769,400 2.324,402 4.963,403 1.64,404 2.55,405 1.486,406 3.947,407 2.391,408 1.415,409 1.575,411 3.057,412 1.377,413 2.5,414 1.135,415 3.593,416 2,417 1.058,418 1.5,420 2.912,421 0.994,422 2.442,423 1.077,424 3.414,425 1.984,426 1,427 1.441,428 2.275,429 0.983,430 2,431 1.066,432 3.247,433 1.959,434 1,435 1,436 2.136,437 0.957,438 1.79,439 1,440 3.133,441 1.492,442 0.623,443 0.7,445 1.229,446 0.537,447 1.51,448 0.602,449 2.844,450 1.224,451 0.308,452 0.356,454 0.63,455 0.281,456 1.047,457 0.157,458 2.743,459 0.825,460 -0.115,461 -0.128,463 -0.274,464 -0.108,465 14.033,466 0.468,467 0.656,468 0.022,469 40.5,470 1.35,471 19.5,472 0.65,473 21,474 0.7,475 24.884,476 0.829,477 32.767,478 0.585,479 30.259,480 1.009,481 7.78,482 0.259,483 6.822,484 0.227,485 0.1,487 0.314,493 0.985,494 1.594,495 0.818,496 1.227,497 0.978,498 1.026,499 0.966,500 1.02,501 0.851,502 0.925,503 0.572,504 0.887,505 1.05,506 1.225,507 1.004,508 1.078,509 0.856,510 1.033,511 0.834,512 0.866,513 0.912,514 0.897,515 0.741,516 0.913,517 0.7,518 1.192,519 0.895,520 1.074,521 0.92,522 1.017,523 0.793,524 0.995,525 0.914,526 0.977,527 0.907,528 0.962,529 1.08,530 1.075,531 1.047,532 0.957,533 1.118,534 0.975,535 1.143,536 1.228,537 1.108,538 1.137,539 1.231,540 1.108,541 6.5,542 0.161,543 2.222,544 1.688,545 1.6,546 0.813,547 0.749,548 0.5,549 0.374,550 0.282,551 11621,552 28458,553 2.107,554 46.4,555 2,556 12,558 2,559 3,560 3,561 4,564 1.735,565 2,566 3.434,567 0.933,568 1,569 1,573 86.762,574 1.549,575 3.726,576 4.954,577 5.173,578 5.173,579 5.173,580 2.927,581 4.257,582 4.872,583 3.601,584 1566.41,585 8.539,586 21824.8,588 1,590 1,591 325.212,592 1.295,593 4.851,594 0.197,595 0.006,596 0.049,597 0.038,598 0.038,599 0.018,600 0.017,601 0.012,602 0.01,603 0.008,604 0.392,605 0.17,606 1,607 0.659,608 153.421,609 -0.075,610 -0.32,611 0.062,612 -0.121,613 -0.06,614 -0.022,615 0.156,616 0.107,617 0.105,618 0.084,619 0.335,620 0.079,621 -0.117,622 -0.144,623 -0.053,624 -0.078,626 -0.057,627 0.067,628 0.128,629 0.064,630 0.085,631 0.138,632 0.073,633 0.049,634 -0.14,635 0.043,636 -0.045,637 -0.006,638 -0.008,639 0.107,640 0.058,641 0.049,642 0.006,643 0.066,644 0.013,645 -0.086,646 -0.006,647 -0.071,648 -0.011,649 -0.103,650 -0.03,651 -0.128,652 -0.153,653 -0.14,654 -0.175,655 -0.154,656 -0.157,657 1.476,658 1.884,659 0.8,660 31.52,661 1.002,662 1.142,663 3.646,664 13.294,665 0.649,666 3.526,667 3.829,668 4.06,669 4.331,670 4.585,671 4.635,672 4.779,673 4.942,674 5.069,675 5.142,676 6.688,677 0.618,678 406.55,679 3.526,680 5.056,681 5.889,682 6.756,683 7.605,684 8.479,685 9.337,686 10.214,687 11.079,688 11.958,689 14.3,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 56,733 18,735 33,737 59,738 21,739 13,746 4,747 4,752 1,755 3,758 3,761 13,762 8,778 1,781 26,782 9,783 3,784 9,790 8,794 1,795 1,805 2,812 4,836 1,840 4,844 2,848 30,849 1,854 6,855 1,856 1,859 1,870 1.8,875 1,877 15,878 10.617,879 6.639,880 3.361,881 3.098,882 1.41,883 0.986,884 6.362,885 10.658,886 3.761,887 4.337,888 4.869,889 5.443,890 6.017,891 6.235,892 6.625,893 7.052,894 7.435,895 7.741,896 0.875,897 45,898 11.033,900 4.566,901 7.611,902 21.306,904 17.119,905 2.111,906 63.333,909 1,910 270.735,911 102.978,912 137.96,914 11,917 102.978,918 281.735,919 137.96,920 19.708,921 13.921,922 61.326,923 107.47,924 64.014,925 9.042,926 247.193,928 270.735,929 240.938,930 11,933 228.307,934 58.084,937 63.875,938 88.479,939 83.928,941 270.735,942 148.96,943 102.978,946 270.735,947 36.746,948 69.356,949 18.011,950 127.825,951 270.735,952 148.96,953 102.978,955 0.573,956 0.325,957 0.179,958 0.101,959 21,960 9,961 0.102,962 6,964 1,965 4.155,966 267.264,968 24,969 143.207,974 20.454,975 9.331,976 5.223,978 148.96,979 9.34,980 21.848,984 5.108,986 50.908,987 522.673,988 42,999 56.094,1000 63.933,1001 0.267,1002 0.642,1003 0.853,1004 0.891,1005 0.891,1006 0.891,1007 4.987,1008 1.769,1009 5.855,1010 5.236,1011 4.511,1012 5.024,1013 1.459,1014 6.616,1015 4.392,1016 6.171,1017 1.415,1018 7.376,1019 4.963,1020 4.007,1021 4.745,1022 0.325,1023 7.368,1024 3.83,1025 7.459,1026 1.058,1027 8.989,1028 3.057,1029 6.057,1030 7.163,1031 1.132,1032 10.451,1033 5.827,1034 8.777,1035 1,1036 10.656,1037 2.912,1038 6.33,1039 7.654,1040 0.393,1041 12.028,1042 6.044,1043 10.124,1044 1,1045 12.359,1046 2.275,1047 7.847,1048 9.567,1049 0.925,1050 14.629,1051 7.518,1052 11.491,1053 0.623,1054 14.087,1055 2.136,1056 8.509,1057 10.446,1058 0.384,1059 16.605,1060 8.132,1061 12.875,1062 0.308,1063 15.837,1064 1.229,1065 9.788,1066 12.121,1067 0.765,1068 19.031,1069 9.372,1070 3.093,1071 -0.115,1072 17.603,1073 0.63,1074 10.659,1075 13.219,1076 0.351,1077 21.205,1078 10.201,1079 2.685,1080 10.402,1081 19.384,1082 -0.274,1083 11.829,1084 14.768,1085 0.634,1086 23.569,1087 11.335,1088 2.644,1089 7.742,1090 21.177,1091 4.145,1092 12.812,1093 15.993,1094 0.312,1095 25.834,1096 12.28,1097 2.503,1098 7.609,1099 22.982,1100 3.674,1101 13.938,1102 17.473,1103 0.525,1104 28.179,1105 13.37,1106 2.195,1107 7.11,1108 24.797,1109 3.586,1110 14.981,1111 18.774,1112 0.273,1113 30.486,1114 14.377,1115 2.082,1116 6.365,1117 26.621,1118 2.967,1119 16.091,1120 20.218,1121 0.433,1122 32.826,1123 15.452,1124 1.879,1125 5.94,1126 28.452,1127 2.75,1128 17.167,1129 21.563,1130 0.236,1131 35.152,1132 16.493,1133 11092,1134 17589,1135 22.364,1136 36.353,1137 48.693,1138 48.893,1139 49.497,1140 48.502,1141 48.509,1142 61.914,1143 4.698,1144 135.207,1145 45.62,1146 5.452,1147 5.179,1148 6.349,1149 5.152,1150 5.093,1151 7.145,1152 1.776,1153 17.29,1154 4.92,1155 12.716,1156 1.476,1157 1.482,1158 1.5,1159 1.47,1160 1.47,1161 1.876,1162 0.142,1163 4.097,1164 1.382,1165 4.016,1166 4.063,1167 3.978,1168 3.885,1169 5.259,1170 3.901,1171 3.851,1172 3.903,1173 3.802,1174 3.718,1175 5,1176 3.73,1177 3.823,1178 3.883,1179 3.728,1180 3.659,1181 4.859,1182 3.661,1183 3.698,1184 3.756,1185 3.622,1186 3.51,1187 4.669,1188 3.538,1189 3.303,1190 3.368,1191 3.177,1192 3.09,1193 4.412,1194 3.099,1195 3.206,1196 3.289,1197 3.037,1198 2.968,1199 4.307,1200 2.976,1201 3.162,1202 3.267,1203 2.988,1204 2.941,1205 4.03,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.902,1211 3.945,1212 2.91,1213 0.135,1214 0.096,1215 0.198,1216 0.123,1217 0.094,1218 4.452,1219 0.126,1220 3.179,1221 0.028,1222 6.547,1223 0.315,1224 4.052,1225 0.09,1226 3.093,1227 4.145,1228 0.916,1229 10.402,1230 2.97,1231 1.929,1232 1.891,1233 2.069,1234 2.083,1235 1.411,1236 2.074,1237 1.819,1238 1.77,1239 1.968,1240 1.999,1241 1.111,1242 1.999,1243 1.773,1244 1.725,1245 1.883,1246 1.95,1247 0.94,1248 1.927,1249 1.624,1250 1.563,1251 1.772,1252 1.828,1253 0.825,1254 1.816,1255 1.247,1256 1.181,1257 1.573,1258 1.534,1259 0.802,1260 1.544,1261 1.184,1262 1.106,1263 1.513,1264 1.449,1265 0.691,1266 1.474,1267 1.153,1268 1.064,1269 1.488,1270 1.422,1271 0.574,1272 1.432,1273 1.118,1274 1.018,1275 1.402,1276 1.376,1277 0.448,1278 1.429,1279 4.205,1281 5.509,1283 7.008,1285 8.592,1287 10.222,1289 3.386,1293 5.884,1295 6.878,1296 3.308,1297 5.127,1300 2.456,1305 34.627,1306 86.762,1307 208.669,1308 277.437,1309 289.702,1310 289.702,1311 289.702,1312 39.991,1313 7.561,1314 114.97,1315 114.97,1316 24,1317 12.498,1318 4.248,1319 3.322,1320 46.695,1321 112,1322 146,1323 0.19,1324 214.64,1325 362.75,1326 515.482,1327 18703,1329 20.924,1330 0.697,1331 0.577,1332 20.924,1333 17.298,1334 14.602,1335 0.442,1336 0.305,1337 9.897,1338 13.917,1339 9.633,1340 8.041,1341 14.602,1342 10.074,1343 13.051,1344 0.29,1345 0.163,1346 13.051,1347 7.355,1348 10.548,1349 0.185,1350 0.088,1351 10.548,1352 5.013,1353 9,1354 0.12,1355 0.048,1356 9,1357 3.575,1358 7.335,1359 0.076,1360 0.026,1361 7.335,1362 2.488,1363 0.295,1364 92.168,1365 0.211,1366 28.231,1367 0.536,1368 156,1369 447.251,1370 174.087,1371 435.143,1372 605.7,1373 410,1374 180,1375 458.137,1376 197.84,1377 465.366,1378 676.29,1379 435,1380 6.824}
{0 CHEMBL2165010,1 1.635,2 11.267,3 1.368,4 1.871,5 110.468,6 7.565,7 0.545,8 4.11,9 4.242,10 3.69,11 3.542,12 5.235,13 3.559,14 4.64,15 4.833,16 4.022,17 3.894,18 5.745,19 3.893,20 4.792,21 4.998,22 4.037,23 4.036,24 5.819,25 4.001,26 4.869,27 5.115,28 3.979,29 4.065,30 5.839,31 3.986,32 4.852,33 5.088,34 4.009,35 4.076,36 5.841,37 4.007,38 4.857,39 5.092,40 4.051,41 4.058,42 5.903,43 4.002,44 4.853,45 5.096,46 3.994,47 4.003,48 5.871,49 3.954,50 4.767,51 4.989,52 3.937,53 3.949,54 5.793,55 3.9,56 0.083,57 0.864,58 11.118,59 4.006,60 9.824,61 5.728,62 0.521,63 1.281,64 22.192,65 6.553,66 37.323,67 9.416,68 0.47,69 1.485,70 25.64,71 7.386,72 33.878,73 11.284,74 0.5,75 1.52,76 29.043,77 9.118,78 40.075,79 13.879,80 0.41,81 1.528,82 28.057,83 8.789,84 37.475,85 13.659,86 0.489,87 1.544,88 28.136,89 8.531,90 43.825,91 13.103,92 0.596,93 1.48,94 28.799,95 7.358,96 45.313,97 11.945,98 0.371,99 1.397,100 25.154,101 7.096,102 34.034,103 11.192,104 11,105 45,106 0.27,107 0.637,108 0.829,109 0.849,110 0.849,111 0.849,112 3.441,113 0.877,114 -3.92,115 -3.88,116 -3.68,119 37,120 1,124 1,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 9,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 1,212 4,215 1,217 1,220 3,222 1,223 3,224 6,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 4,237 5,245 1,249 1,250 4,252 1,253 1,255 1,258 1,260 1,262 6,263 4,265 1,266 2,268 1,271 1,273 1,275 1752,276 20.488,277 20.488,278 20.488,279 20.488,280 20.488,281 18.303,282 30.391,283 12.252,284 21.34,285 16.292,286 16.292,287 16.292,288 16.292,289 16.292,290 12.958,291 42.808,292 5.848,293 17.57,294 4.12,295 1.902,296 0.746,297 0.621,298 0.621,299 0.621,300 4.139,304 1,305 1,306 729,307 2.739,311 406.234,318 1.684,319 26.662,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66,331 338,332 4.452,333 3.181,334 6.547,335 4.052,336 3.093,337 4.145,338 0.916,339 10.402,340 2.97,341 4.068,342 2.976,343 5.62,344 3.616,345 2.685,346 3.674,347 0.86,348 7.742,349 2.508,350 3.989,351 2.876,352 5.557,353 3.587,354 2.644,355 3.586,356 0.86,357 7.609,358 2.491,359 3.694,360 2.728,361 5.416,362 3.423,363 2.503,364 2.967,365 0.4,366 7.11,367 2.302,368 3.471,369 2.499,370 5.149,371 3.124,372 2.195,373 2.75,374 0.172,375 6.365,376 2.032,377 3.33,378 2.332,379 5.001,380 3.031,381 2.082,382 2.481,384 5.94,385 1.961,386 3.232,387 2.086,388 4.828,389 2.796,390 1.879,391 2.457,393 5.236,394 1.722,395 3.139,396 2.024,397 4.618,398 2.697,399 1.769,400 2.324,402 4.963,403 1.637,404 2.55,405 1.868,406 3.947,407 2.273,408 1.415,409 1.575,411 3.057,412 1.206,413 2.5,414 1.256,415 3.593,416 2,417 1.058,418 1.5,420 2.912,421 0.994,422 2.442,423 1.137,424 3.414,425 1.959,426 1,427 1.441,428 2.275,429 0.957,430 2,431 1.066,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.79,439 1,440 3.133,441 1.491,442 0.623,443 0.7,445 1.229,446 0.537,447 1.51,448 0.624,449 2.844,450 1.217,451 0.308,452 0.356,454 0.63,455 0.279,456 1.047,457 0.187,458 2.743,459 0.81,460 -0.115,461 -0.128,463 -0.274,464 -0.106,465 13.867,466 0.462,467 0.656,468 0.022,469 41,470 1.367,471 19.5,472 0.65,473 21.5,474 0.717,475 23.597,476 0.787,477 32.933,478 0.61,479 31.546,480 1.052,481 8.278,482 0.276,483 6.324,484 0.211,485 0.101,487 0.317,493 0.988,494 1.647,495 0.777,496 1.27,497 1.001,498 1.019,499 1.222,500 0.968,501 0.871,502 0.831,503 0.786,504 0.806,505 1.168,506 1.208,507 1.077,508 1.039,509 1.009,510 1.035,511 0.705,512 0.94,513 0.927,514 0.991,515 0.719,516 0.995,517 0.72,518 1.169,519 0.888,520 1.047,521 0.921,522 1.001,523 0.735,524 1.041,525 0.914,526 1.031,527 0.861,528 1.002,529 1.036,530 1.016,531 1.028,532 0.897,533 1.082,534 0.932,535 1.006,536 1.307,537 1.093,538 1.22,539 1.151,540 1.163,541 6.5,542 0.161,543 2.222,544 1.688,545 1.6,546 0.813,547 0.749,548 0.5,549 0.374,550 0.282,551 11621,552 31962,553 2.107,554 44.4,556 16,558 2,559 3,560 3,564 1.735,565 2,566 3.434,567 0.966,568 1,569 1,573 88.286,574 1.635,575 3.852,576 5.009,577 5.134,578 5.134,579 5.134,580 2.927,581 4.257,582 4.872,583 3.601,584 1566.41,585 8.539,586 21824.8,588 1,591 310.764,592 1.295,593 4.851,594 0.197,595 0.006,596 0.049,597 0.038,598 0.038,599 0.018,600 0.017,601 0.012,602 0.01,603 0.008,604 0.392,605 0.33,606 0.88,607 0.659,608 153.421,609 -0.099,610 -0.376,611 0.063,612 -0.17,613 -0.109,614 -0.039,615 -0.007,616 0.138,617 0.086,618 0.156,619 0.191,620 0.129,621 -0.18,622 -0.096,623 -0.146,624 -0.044,625 -0.119,626 -0.082,627 0.05,628 0.088,629 0.017,630 0.016,631 0.101,632 0.008,633 0.008,634 -0.129,635 0.043,636 -0.018,637 -0.042,638 0.012,639 0.066,640 0.026,641 0.026,642 -0.042,643 0.05,644 -0.023,645 -0.079,646 0.034,647 -0.057,648 0.039,649 -0.091,650 0.008,651 -0.122,652 -0.216,653 -0.157,654 -0.245,655 -0.158,656 -0.208,657 1.492,658 1.936,659 0.8,660 31.52,661 1.01,662 1.143,663 2.692,664 7.248,665 0.649,666 3.526,667 3.829,668 4.06,669 4.331,670 4.585,671 4.635,672 4.779,673 4.942,674 5.069,675 5.142,676 6.688,677 0.626,678 408.52,679 3.526,680 5.056,681 5.889,682 6.756,683 7.605,684 8.479,685 9.337,686 10.214,687 11.079,688 11.958,689 14.8,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 54,733 18,735 33,737 57,738 20,739 13,746 4,747 4,752 1,761 13,762 7,778 1,781 24,782 10,783 3,784 10,790 8,794 1,795 2,805 2,812 4,836 1,839 1,840 4,844 2,848 30,849 1,854 5,855 1,856 2,859 1,870 3.7,874 1,875 1,877 15,878 10.283,879 6.639,880 3.028,881 3.098,882 1.41,883 0.981,884 6.333,885 10.658,886 3.761,887 4.337,888 4.869,889 5.443,890 6.017,891 6.235,892 6.625,893 7.052,894 7.435,895 7.741,896 0.875,897 45,898 11.013,900 4.55,901 7.678,902 21.024,904 16.658,905 2.178,906 65.333,910 247.193,911 104.559,912 137.96,914 22,917 104.559,918 269.193,919 137.96,920 19.708,921 15.502,922 61.326,923 118.47,924 64.014,925 9.042,926 223.651,928 247.193,929 242.519,930 22,933 251.849,934 11,935 11,937 65.456,938 88.479,939 83.928,941 247.193,942 159.96,943 104.559,946 247.193,947 38.327,948 69.356,949 18.011,950 138.825,951 247.193,952 159.96,953 104.559,955 0.573,956 0.325,957 0.179,958 0.101,959 21,960 9,961 0.105,962 6,964 1,965 4.155,966 267.264,968 24,969 140.452,974 20.417,975 9.305,976 5.206,978 159.96,979 9.219,980 21.751,984 4.912,986 50.908,987 511.712,988 42,999 54.538,1000 61.727,1001 0.284,1002 0.669,1003 0.87,1004 0.892,1005 0.892,1006 0.892,1007 4.987,1008 1.769,1009 5.855,1010 5.236,1011 4.511,1012 5.024,1013 1.755,1014 6.616,1015 4.373,1016 6.171,1017 1.415,1018 7.376,1019 4.963,1020 4.007,1021 4.745,1022 0.325,1023 7.368,1024 3.83,1025 7.459,1026 1.058,1027 8.989,1028 3.057,1029 6.057,1030 7.163,1031 1.434,1032 10.451,1033 5.803,1034 8.777,1035 1,1036 10.656,1037 2.912,1038 6.33,1039 7.654,1040 0.393,1041 12.028,1042 6.044,1043 10.124,1044 1,1045 12.359,1046 2.275,1047 7.847,1048 9.567,1049 1.203,1050 14.629,1051 7.496,1052 11.491,1053 0.623,1054 14.087,1055 2.136,1056 8.509,1057 10.446,1058 0.384,1059 16.605,1060 8.13,1061 12.875,1062 0.308,1063 15.837,1064 1.229,1065 9.788,1066 12.121,1067 1.011,1068 19.031,1069 9.354,1070 3.093,1071 -0.115,1072 17.603,1073 0.63,1074 10.659,1075 13.219,1076 0.351,1077 21.205,1078 10.197,1079 2.685,1080 10.402,1081 19.384,1082 -0.274,1083 11.829,1084 14.768,1085 0.845,1086 23.569,1087 11.321,1088 2.644,1089 7.742,1090 21.177,1091 4.145,1092 12.812,1093 15.993,1094 0.312,1095 25.834,1096 12.275,1097 2.503,1098 7.609,1099 22.982,1100 3.674,1101 13.938,1102 17.473,1103 0.702,1104 28.179,1105 13.36,1106 2.195,1107 7.11,1108 24.797,1109 3.586,1110 14.981,1111 18.774,1112 0.273,1113 30.486,1114 14.373,1115 2.082,1116 6.365,1117 26.621,1118 2.967,1119 16.091,1120 20.218,1121 0.579,1122 32.826,1123 15.445,1124 1.879,1125 5.94,1126 28.452,1127 2.75,1128 17.167,1129 21.563,1130 0.236,1131 35.152,1132 16.489,1133 11092,1134 18557,1135 22.364,1136 35.046,1137 48.693,1138 49.199,1139 49.497,1140 48.475,1141 48.509,1142 61.914,1143 6.418,1144 135.207,1145 45.08,1146 5.452,1147 5.181,1148 6.349,1149 5.156,1150 5.093,1151 7.145,1152 1.776,1153 17.29,1154 4.92,1155 12.716,1156 1.476,1157 1.491,1158 1.5,1159 1.469,1160 1.47,1161 1.876,1162 0.194,1163 4.097,1164 1.366,1165 4.012,1166 4.058,1167 3.977,1168 3.881,1169 5.259,1170 3.898,1171 3.847,1172 3.888,1173 3.802,1174 3.714,1175 5,1176 3.728,1177 3.792,1178 3.856,1179 3.715,1180 3.568,1181 4.86,1182 3.596,1183 3.677,1184 3.732,1185 3.596,1186 3.476,1187 4.671,1188 3.499,1189 3.29,1190 3.349,1191 3.162,1192 3.05,1193 4.618,1194 3.064,1195 3.182,1196 3.28,1197 3.014,1198 2.962,1199 4.407,1200 2.964,1201 3.141,1202 3.223,1203 2.983,1204 2.941,1205 4.034,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.88,1211 4.019,1212 2.892,1213 0.135,1214 0.096,1215 0.198,1216 0.123,1217 0.094,1218 4.452,1219 0.126,1220 3.181,1221 0.028,1222 6.547,1223 0.315,1224 4.052,1225 0.09,1226 3.093,1227 4.145,1228 0.916,1229 10.402,1230 2.97,1231 1.924,1232 1.888,1233 2.015,1234 2.078,1235 1.259,1236 2.06,1237 1.794,1238 1.759,1239 1.921,1240 1.97,1241 1.062,1242 1.958,1243 1.708,1244 1.648,1245 1.864,1246 1.947,1247 0.932,1248 1.92,1249 1.598,1250 1.54,1251 1.76,1252 1.813,1253 0.825,1254 1.799,1255 1.221,1256 1.157,1257 1.571,1258 1.528,1259 0.787,1260 1.539,1261 1.166,1262 1.087,1263 1.513,1264 1.444,1265 0.61,1266 1.464,1267 1.153,1268 1.064,1269 1.458,1270 1.376,1271 0.569,1272 1.429,1273 1.086,1274 0.995,1275 1.348,1276 1.37,1277 0.252,1278 1.372,1279 4.205,1281 5.509,1283 7.008,1285 8.592,1287 10.222,1289 3.364,1293 5.87,1295 4.045,1296 3.288,1297 10.554,1300 2.331,1305 33.815,1306 88.286,1307 208.035,1308 270.499,1309 277.254,1310 277.254,1311 277.254,1312 39.731,1313 7.561,1314 124.2,1315 124.2,1316 24,1317 12.498,1318 4.248,1319 3.322,1320 46.695,1321 112,1322 146,1323 0.19,1324 209.044,1325 354.24,1326 501.827,1327 18703,1329 20.924,1330 0.697,1331 0.567,1332 20.924,1333 16.999,1334 14.602,1335 0.442,1336 0.292,1337 9.435,1338 13.772,1339 9.193,1340 7.622,1341 14.602,1342 9.651,1343 13.051,1344 0.29,1345 0.153,1346 13.051,1347 6.907,1348 10.548,1349 0.185,1350 0.082,1351 10.548,1352 4.668,1353 9,1354 0.12,1355 0.043,1356 9,1357 3.217,1358 7.335,1359 0.076,1360 0.022,1361 7.335,1362 2.173,1363 0.295,1364 93.168,1365 0.211,1366 28.231,1367 0.536,1368 156,1369 490.987,1370 176.966,1371 468.128,1372 645.06,1373 442,1374 180,1375 477.773,1376 200.608,1377 482.988,1378 702.77,1379 451,1380 7}
{0 CHEMBL2165011,1 1.614,2 11.742,3 1.113,4 1.238,5 115.117,6 7.413,7 0.529,8 4.156,9 4.29,10 3.712,11 3.601,12 5.281,13 3.607,14 4.685,15 4.881,16 4.061,17 3.975,18 5.786,19 3.958,20 4.904,21 5.119,22 4.088,23 4.121,24 5.931,25 4.073,26 4.987,27 5.244,28 4.016,29 4.126,30 5.964,31 4.038,32 4.897,33 5.142,34 4.03,35 4.12,36 5.866,37 4.041,38 4.909,39 5.147,40 4.069,41 4.108,42 5.952,43 4.043,44 4.898,45 5.143,46 4.033,47 4.067,48 5.919,49 4.01,50 4.851,51 5.076,52 3.991,53 4.021,54 5.918,55 3.965,56 0.088,57 0.909,58 12.131,59 4.336,60 13.815,61 6.275,62 0.444,63 1.375,64 23.145,65 7.293,66 37.492,67 10.681,68 0.426,69 1.611,70 29.495,71 8.598,72 45.161,73 13.272,74 0.652,75 1.621,76 34.028,77 10.102,78 57.064,79 15.542,80 0.369,81 1.595,82 29.736,83 9.337,84 38.48,85 14.779,86 0.516,87 1.612,88 30.212,89 9.109,90 49.462,91 14.039,92 0.494,93 1.569,94 30.136,95 8.012,96 45.665,97 13.133,98 0.454,99 1.494,100 28.196,101 7.771,102 47.814,103 12.353,104 18,105 47,106 0.264,107 0.644,108 0.839,109 0.859,110 0.859,111 0.859,112 3.472,113 0.895,114 -4.15,115 -4.09,116 -3.87,119 36.8,120 1,121 2,124 1,125 3,127 1,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 11,177 2,178 3,180 4,183 2,187 6,190 1,192 2,198 3,199 6,201 1,202 4,204 3,207 4,209 2,211 1,212 3,215 1,217 1,220 5,222 1,223 3,224 7,226 1,227 3,228 1,229 3,231 1,232 5,234 1,236 3,237 4,242 1,245 1,249 1,250 8,252 1,253 2,255 4,258 1,260 1,262 4,263 4,265 1,266 1,268 1,271 1,273 1,275 1928,276 20.936,277 20.936,278 20.936,279 20.936,280 20.936,281 18.75,282 31.771,283 12.338,284 21.669,285 16.758,286 16.758,287 16.758,288 16.758,289 16.758,290 13.424,291 45.841,292 5.883,293 17.891,294 4.218,295 1.899,296 0.706,297 0.588,298 0.588,299 0.588,300 4.169,304 1,305 1,306 782,307 2.828,311 424.599,318 1.831,319 30.173,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 68,331 364,332 4.452,333 3.181,334 6.547,335 4.052,336 3.093,337 4.145,338 0.916,339 10.402,340 2.971,341 4.068,342 2.981,343 5.623,344 3.631,345 2.695,346 3.674,347 0.86,348 7.762,349 2.531,350 3.99,351 2.877,352 5.572,353 3.61,354 2.669,355 3.586,356 0.4,357 7.634,358 2.507,359 3.716,360 2.733,361 5.422,362 3.47,363 2.538,364 2.97,365 0.172,366 7.13,367 2.365,368 3.496,369 2.576,370 5.166,371 3.246,372 2.291,373 2.751,375 6.441,376 2.183,377 3.433,378 2.399,379 5.108,380 3.08,381 2.152,382 2.549,384 6.221,385 1.983,386 3.232,387 2.17,388 4.846,389 2.851,390 1.92,391 2.481,393 5.442,394 1.78,395 3.165,396 2.083,397 4.783,398 2.796,399 1.879,400 2.386,402 5.209,403 1.721,404 2.979,405 1.872,406 4.618,407 2.683,408 1.75,409 2.002,411 4.963,412 1.626,413 2.55,414 1.138,415 3.946,416 2,417 1.059,418 1.575,420 2.927,421 0.994,422 2.5,423 1.077,424 3.414,425 1.984,426 1,427 1.5,428 2.275,429 0.983,430 2,431 1.066,432 3.414,433 1.959,434 1,435 1,436 2.275,437 0.957,438 1.796,439 1,440 3.158,441 1.501,442 0.628,443 0.706,445 1.274,446 0.543,447 1.538,448 0.677,449 2.923,450 1.278,451 0.363,452 0.408,454 0.735,455 0.33,456 1.168,457 0.33,458 2.747,459 0.969,460 0.046,461 0.05,463 0.102,464 0.042,465 14.367,466 0.463,467 0.762,468 0.025,469 41.25,470 1.331,471 19.5,472 0.629,473 21.75,474 0.702,475 26.189,476 0.845,477 34.233,478 0.601,479 32.007,480 1.032,481 8.061,482 0.26,483 6.934,484 0.224,485 0.121,487 0.341,493 1.016,494 1.587,495 0.816,496 1.21,497 1.038,498 1.008,499 0.966,500 1.039,501 0.845,502 0.938,503 0.707,504 0.885,505 1.174,506 1.237,507 1.061,508 1.093,509 1.13,510 1.059,511 0.87,512 0.863,513 0.951,514 0.901,515 0.896,516 0.939,517 0.607,518 1.163,519 0.851,520 1.042,521 0.643,522 0.988,523 0.806,524 1.012,525 0.938,526 0.994,527 0.858,528 0.987,529 0.943,530 1.076,531 0.992,532 0.954,533 0.818,534 0.956,535 1.084,536 1.249,537 1.116,538 1.163,539 1.104,540 1.136,541 7.5,542 0.185,543 2.667,544 1.75,545 1.791,546 0.868,547 0.831,548 0.556,549 0.403,550 0.357,551 12714,552 34239,553 2.084,554 45.6,556 13,558 2,559 4,560 3,562 4,564 1.742,565 1.958,566 3.489,567 1.664,568 1,569 1,573 92.025,574 1.614,575 3.934,576 5.126,577 5.245,578 5.245,579 5.245,580 3.075,581 4.503,582 4.919,583 3.664,584 1703.76,585 8.63,586 24370.7,588 1,591 332.475,592 1.383,593 4.888,594 0.221,595 0.006,596 0.057,597 0.037,598 0.042,599 0.019,600 0.018,601 0.013,602 0.01,603 0.009,604 0.432,605 0.17,606 0.88,607 0.701,608 160.598,609 -0.122,610 -0.304,611 0.043,612 -0.091,613 -0.144,614 -0.007,615 0.077,616 0.103,617 0.094,618 0.082,619 0.153,620 0.081,621 -0.185,622 -0.149,623 -0.115,624 -0.087,625 -0.123,626 -0.088,627 0.038,628 0.124,629 0.026,630 0.084,631 0.016,632 0.05,633 0.048,634 -0.118,635 0.078,636 -0.011,637 0.005,638 0.032,639 0.04,640 0.054,641 0.011,642 -0.002,643 -0.021,644 -0.007,645 -0.072,646 -0.007,647 -0.032,649 -0.033,651 -0.103,652 -0.163,653 -0.16,654 -0.192,655 -0.109,656 -0.184,657 1.536,658 3.753,659 0.774,660 33.761,661 1.007,662 1.143,663 2.915,664 8.499,665 0.646,666 3.555,667 3.871,668 4.094,669 4.357,670 4.625,671 4.673,672 4.812,673 4.97,674 5.106,675 5.209,676 6.932,677 0.62,678 422.55,679 3.555,680 5.094,681 5.927,682 6.797,683 7.647,684 8.521,685 9.381,686 10.258,687 11.123,688 12.002,689 14,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 57,733 18,735 34,737 60,738 21,739 13,746 4,747 4,752 1,755 3,758 3,761 13,762 8,778 1,781 26,782 10,783 4,784 10,790 8,794 1,795 2,797 1,805 2,812 4,836 1,838 1,840 4,844 2,848 31,849 1,853 1,854 5,855 1,856 1,858 1,859 1,870 3.5,871 1,875 1,877 15.833,878 10.65,879 6.806,880 3.261,881 3.056,882 1.4,883 0.953,884 6.565,885 10.696,886 3.784,887 4.363,888 4.885,889 5.452,890 6.026,891 6.243,892 6.633,893 7.06,894 7.445,895 7.761,896 1,897 47,898 11.41,900 4.775,901 7.731,902 21.764,904 17.553,905 2.231,906 69.167,910 258.964,911 100.443,912 137.96,914 53.683,917 100.443,918 312.647,919 137.96,920 19.708,921 11.386,922 104.009,923 107.47,924 64.014,925 9.042,926 235.422,928 258.964,929 238.403,930 53.683,933 216.536,934 58.084,935 42.683,937 61.34,938 88.479,939 83.928,941 258.964,942 191.643,943 100.443,946 258.964,947 34.212,948 69.356,949 18.011,950 170.508,951 258.964,952 191.643,953 100.443,955 0.58,956 0.326,957 0.174,958 0.102,959 22,960 10,961 0.1,962 6,964 1,965 4.216,966 279.306,968 24,969 149.58,974 21.378,975 9.52,976 5.444,978 191.643,979 9.157,980 21.736,984 4.786,986 93.591,987 551.051,988 43,999 57.421,1000 65.142,1001 0.277,1002 0.675,1003 0.879,1004 0.899,1005 0.899,1006 0.899,1007 5.021,1008 1.879,1009 5.905,1010 5.442,1011 4.554,1012 5.05,1013 1.459,1014 6.671,1015 4.431,1016 6.21,1017 1.75,1018 7.433,1019 5.209,1020 4.111,1021 4.796,1022 0.325,1023 7.434,1024 3.929,1025 7.5,1026 1.059,1027 9.05,1028 4.963,1029 6.111,1030 7.181,1031 1.132,1032 10.497,1033 5.879,1034 8.818,1035 1,1036 10.717,1037 2.927,1038 6.415,1039 7.677,1040 0.393,1041 12.063,1042 6.128,1043 10.163,1044 1,1045 12.417,1046 2.275,1047 7.903,1048 9.577,1049 0.925,1050 14.657,1051 7.573,1052 11.527,1053 0.628,1054 14.142,1055 2.275,1056 8.577,1057 10.456,1058 0.384,1059 16.623,1060 8.2,1061 12.907,1062 0.363,1063 15.886,1064 1.274,1065 9.84,1066 12.126,1067 0.765,1068 19.046,1069 9.423,1070 3.093,1071 0.046,1072 17.646,1073 0.735,1074 10.714,1075 13.223,1076 0.351,1077 21.214,1078 10.255,1079 2.695,1080 10.402,1081 19.422,1082 0.102,1083 11.876,1084 14.77,1085 0.634,1086 23.577,1087 11.379,1088 2.669,1089 7.762,1090 21.21,1091 4.145,1092 12.858,1093 15.995,1094 0.312,1095 25.839,1096 12.323,1097 2.538,1098 7.634,1099 23.01,1100 3.674,1101 13.978,1102 17.475,1103 0.525,1104 28.183,1105 13.407,1106 2.291,1107 7.13,1108 24.821,1109 3.586,1110 15.018,1111 18.775,1112 0.273,1113 30.489,1114 14.411,1115 2.152,1116 6.441,1117 26.641,1118 2.97,1119 16.125,1120 20.219,1121 0.433,1122 32.828,1123 15.482,1124 1.92,1125 6.221,1126 28.47,1127 2.751,1128 17.198,1129 21.564,1130 0.236,1131 35.153,1132 16.519,1133 12185,1134 20167,1135 22.77,1136 36.807,1137 50.416,1138 50.725,1139 51.67,1140 50.162,1141 50.162,1142 63.565,1143 4.698,1144 141.58,1145 47.027,1146 5.452,1147 5.181,1148 6.1,1149 5.152,1150 5.093,1151 7.145,1152 1.776,1153 17.29,1154 4.921,1155 15.167,1156 1.483,1157 1.492,1158 1.52,1159 1.475,1160 1.475,1161 1.87,1162 0.138,1163 4.164,1164 1.383,1165 4.016,1166 4.063,1167 3.979,1168 3.885,1169 6.449,1170 3.901,1171 3.853,1172 3.903,1173 3.802,1174 3.717,1175 5.259,1176 3.73,1177 3.828,1178 3.883,1179 3.739,1180 3.657,1181 5,1182 3.665,1183 3.7,1184 3.756,1185 3.635,1186 3.51,1187 4.859,1188 3.54,1189 3.31,1190 3.371,1191 3.192,1192 3.091,1193 4.669,1194 3.103,1195 3.218,1196 3.292,1197 3.058,1198 2.969,1199 4.411,1200 2.978,1201 3.165,1202 3.27,1203 2.99,1204 2.941,1205 4.246,1206 2.912,1207 3.111,1208 3.206,1209 2.866,1210 2.903,1211 4.029,1212 2.91,1213 0.131,1214 0.094,1215 0.193,1216 0.119,1217 0.091,1218 4.452,1219 0.122,1220 3.181,1221 0.027,1222 6.547,1223 0.306,1224 4.052,1225 0.087,1226 3.093,1227 4.145,1228 0.916,1229 10.402,1230 2.971,1231 1.929,1232 1.891,1233 2.05,1234 2.083,1235 1.385,1236 2.071,1237 1.814,1238 1.769,1239 1.96,1240 1.999,1241 1.105,1242 1.994,1243 1.77,1244 1.723,1245 1.881,1246 1.95,1247 0.938,1248 1.927,1249 1.622,1250 1.562,1251 1.77,1252 1.828,1253 0.825,1254 1.814,1255 1.245,1256 1.182,1257 1.572,1258 1.535,1259 0.797,1260 1.544,1261 1.183,1262 1.107,1263 1.513,1264 1.453,1265 0.668,1266 1.473,1267 1.153,1268 1.064,1269 1.478,1270 1.43,1271 0.573,1272 1.431,1273 1.117,1274 1.019,1275 1.39,1276 1.376,1277 0.402,1278 1.429,1279 4.234,1281 5.549,1283 7.052,1285 8.639,1287 10.27,1289 3.35,1293 5.873,1294 9.753,1295 4.009,1296 3.281,1297 5.118,1299 -0.203,1300 2.307,1305 35.342,1306 92.025,1307 224.259,1308 292.21,1309 298.965,1310 298.965,1311 298.965,1312 49.047,1313 7.641,1314 135.2,1315 135.2,1316 24,1317 12.541,1318 4.248,1319 3.322,1320 49.105,1321 120,1322 154,1323 0.187,1324 218.636,1325 371.54,1326 525.233,1327 20622,1329 21.794,1330 0.703,1331 0.568,1332 21.794,1333 17.616,1334 14.996,1335 0.441,1336 0.298,1337 9.954,1338 14.24,1339 9.7,1340 8.052,1341 14.996,1342 10.149,1343 13.673,1344 0.291,1345 0.16,1346 13.673,1347 7.526,1348 10.959,1349 0.186,1350 0.087,1351 10.959,1352 5.121,1353 9.142,1354 0.119,1355 0.046,1356 9.142,1357 3.535,1358 7.626,1359 0.076,1360 0.025,1361 7.626,1362 2.515,1363 0.291,1364 95.108,1365 0.21,1366 29.058,1367 0.522,1368 162,1369 485.401,1370 182.191,1371 468.356,1372 644.22,1373 440,1374 187,1375 479.41,1376 206.501,1377 485.575,1378 705.48,1379 454,1380 6.699}
{0 CHEMBL2165012,1 1.614,2 11.742,3 1.24,4 1.538,5 115.235,6 7.413,7 0.529,8 4.156,9 4.29,10 3.712,11 3.601,12 5.285,13 3.607,14 4.685,15 4.881,16 4.056,17 3.981,18 5.775,19 3.962,20 4.882,21 5.098,22 4.07,23 4.115,24 5.885,25 4.06,26 4.989,27 5.25,28 4.034,29 4.114,30 5.98,31 4.035,32 4.883,33 5.115,34 4.034,35 4.117,36 5.886,37 4.045,38 4.928,39 5.173,40 4.068,41 4.111,42 5.956,43 4.044,44 4.883,45 5.124,46 4.032,47 4.064,48 5.913,49 4.009,50 4.866,51 5.096,52 3.991,53 4.023,54 5.924,55 3.967,56 0.088,57 0.909,58 12.131,59 4.336,60 13.121,61 6.275,62 0.462,63 1.381,64 23.195,65 7.308,66 40.432,67 10.688,68 0.351,69 1.601,70 28.444,71 8.62,72 36.079,73 13.392,74 0.675,75 1.607,76 34.427,77 9.916,78 58.992,79 15.331,80 0.386,81 1.588,82 28.997,83 9.111,84 41.701,85 14.219,86 0.533,87 1.62,88 31.145,89 9.296,90 51.151,91 14.412,92 0.476,93 1.56,94 29.479,95 7.96,96 43.873,97 12.965,98 0.472,99 1.502,100 28.854,101 7.823,102 50.181,103 12.521,104 21,105 47,106 0.264,107 0.65,108 0.862,109 0.893,110 0.893,111 0.893,112 3.472,113 0.892,114 -4.15,115 -4.09,116 -3.87,119 36.8,120 1,121 1,122 1,124 1,125 4,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 4,174 4,175 11,177 2,178 3,180 3,183 1,187 6,190 1,192 3,198 3,199 6,201 1,202 4,204 3,207 4,209 2,211 1,212 3,215 1,217 1,220 5,222 1,223 3,224 7,226 1,227 3,228 1,229 3,231 1,232 5,234 1,236 3,237 4,242 1,245 1,249 1,250 8,252 1,253 2,255 4,258 1,260 1,262 4,263 4,265 1,266 1,268 1,271 1,273 1,275 1930,276 21.099,277 21.099,278 21.099,279 21.099,280 21.099,281 18.913,282 30.693,283 12.387,284 21.803,285 16.702,286 16.702,287 16.702,288 16.702,289 16.702,290 13.368,291 42.973,292 5.816,293 17.79,294 4.218,295 1.863,296 0.566,297 0.377,298 0.377,299 0.377,300 4.168,304 1,305 1,306 781,307 3,310 96.796,311 312.333,318 1.831,319 29.511,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 68,331 364,332 4.452,333 3.185,334 6.547,335 4.053,336 3.094,337 4.145,338 0.916,339 10.402,340 2.971,341 4.068,342 3.018,343 5.708,344 3.717,345 2.765,346 3.674,347 0.86,348 8.065,349 2.634,350 3.992,351 2.877,352 5.606,353 3.613,354 2.678,355 3.586,356 0.4,357 7.682,358 2.507,359 3.774,360 2.735,361 5.441,362 3.496,363 2.558,364 2.979,365 0.172,366 7.214,367 2.403,368 3.536,369 2.535,370 5.266,371 3.253,372 2.29,373 2.755,375 6.716,376 2.196,377 3.446,378 2.35,379 5.135,380 3.076,381 2.145,382 2.648,384 6.291,385 1.982,386 3.232,387 2.087,388 4.841,389 2.797,390 1.879,391 2.481,393 5.304,394 1.725,395 3.16,396 2.027,397 4.721,398 2.766,399 1.835,400 2.391,402 5.082,403 1.702,404 2.85,405 1.868,406 4.618,407 2.66,408 1.721,409 1.863,411 4.963,412 1.609,413 2.55,414 1.141,415 3.945,416 2,417 1.059,418 1.575,420 2.926,421 0.994,422 2.5,423 1.066,424 3.414,425 1.959,426 1,427 1.5,428 2.275,429 0.957,430 1.825,431 1.049,432 3.291,433 1.754,434 0.788,435 0.799,436 1.802,437 0.758,438 1.761,439 1,440 3.145,441 1.488,442 0.618,443 0.69,445 1.214,446 0.533,447 1.497,448 0.768,449 2.907,450 1.262,451 0.366,452 0.383,454 0.651,455 0.324,456 1.335,457 0.569,458 2.748,459 1.152,460 0.253,461 0.282,463 0.434,464 0.227,465 14.367,466 0.463,467 0.724,468 0.023,469 41.25,470 1.331,471 19.5,472 0.629,473 21.75,474 0.702,475 26.032,476 0.84,477 34.233,478 0.601,479 32.038,480 1.033,481 8.099,482 0.261,483 6.935,484 0.224,485 0.121,487 0.341,493 1.016,494 1.587,495 0.816,496 1.21,497 1.024,498 1.008,499 0.987,500 1.006,501 0.856,502 0.898,503 0.74,504 0.868,505 0.984,506 1.306,507 1.039,508 1.18,509 0.818,510 1.119,511 0.923,512 0.818,513 0.91,514 0.834,515 0.973,516 0.867,517 0.75,518 1.202,519 0.932,520 1.085,521 0.877,522 1.042,523 0.786,524 0.977,525 0.905,526 0.954,527 0.832,528 0.948,529 0.938,530 1.104,531 1.003,532 0.985,533 0.819,534 0.981,535 1.086,536 1.218,537 1.103,538 1.128,539 1.108,540 1.108,541 7.5,542 0.245,543 2.444,544 2.069,545 1.654,546 0.966,547 0.766,548 0.49,549 0.484,550 0.281,551 12657,552 34164,553 2.084,554 45.6,556 14,558 2,559 4,560 3,561 2,562 1,564 1.742,565 1.958,566 3.489,567 1.664,568 1,569 1,573 92.025,574 1.614,575 3.969,576 5.267,577 5.456,578 5.456,579 5.456,580 3.075,581 4.632,582 4.919,583 3.664,584 1703.85,585 8.63,586 24380.4,588 1,591 332.475,592 1.383,593 4.888,594 0.221,595 0.008,596 0.052,597 0.045,598 0.038,599 0.021,600 0.017,601 0.011,602 0.012,603 0.007,604 0.432,605 0.17,606 0.88,607 0.796,608 160.604,609 -0.122,610 -0.304,611 0.043,612 -0.091,613 -0.13,614 -0.007,615 0.056,616 0.136,617 0.081,618 0.123,619 0.12,620 0.099,621 -0.125,622 -0.204,623 -0.11,624 -0.16,625 -0.046,626 -0.135,627 0.036,628 0.156,629 0.078,630 0.138,631 0.016,632 0.114,633 -0.009,634 -0.137,635 -0.004,636 -0.052,637 -0.07,638 -0.032,639 0.053,640 0.068,641 0.052,642 0.033,643 -0.001,644 0.035,645 -0.072,646 -0.024,647 -0.048,648 -0.023,649 -0.037,650 -0.023,651 -0.103,652 -0.144,653 -0.142,654 -0.164,655 -0.113,656 -0.157,657 1.504,658 3.41,659 0.742,660 33.831,661 1.007,662 1.143,663 2.915,664 8.499,665 0.646,666 3.555,667 3.871,668 4.111,669 4.382,670 4.595,671 4.682,672 4.82,673 4.977,674 5.13,675 5.231,676 6.933,677 0.62,678 422.55,679 3.555,680 5.094,681 5.932,682 6.806,683 7.661,684 8.539,685 9.402,686 10.282,687 11.15,688 12.032,689 14,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 57,733 18,735 34,737 60,738 21,739 13,746 4,747 4,752 2,755 1,756 1,758 1,761 13,762 8,763 1,778 1,781 26,782 10,783 4,784 10,790 8,794 1,795 2,796 1,805 2,808 1,811 1,812 3,836 1,838 1,840 4,844 2,848 31,849 1,853 1,854 5,855 1,856 1,858 1,859 1,870 3.5,871 1,875 1,877 15.833,878 10.65,879 6.889,880 3.211,881 3.057,882 1.4,883 0.958,884 6.565,885 10.696,886 3.784,887 4.363,888 4.892,889 5.46,890 6.019,891 6.247,892 6.638,893 7.065,894 7.456,895 7.773,896 1,897 46,898 11.4,900 4.76,901 7.731,902 21.764,904 17.573,905 2.231,906 69.167,910 258.964,911 97.909,912 137.96,914 53.683,917 97.909,918 312.647,919 137.96,920 19.708,921 8.852,922 104.009,923 107.47,924 64.014,925 9.042,926 235.422,928 258.964,929 235.869,930 53.683,933 228.307,934 46.313,935 42.683,937 58.806,938 88.479,939 83.928,941 258.964,942 191.643,943 97.909,946 258.964,947 31.677,948 69.356,949 18.011,950 170.508,951 258.964,952 191.643,953 97.909,955 0.576,956 0.332,957 0.18,958 0.098,959 22,960 10,961 0.117,962 7,964 1,965 4.216,966 279.56,968 23,969 153.58,974 21.378,975 9.52,976 5.255,978 191.643,979 9.16,980 21.738,984 4.791,986 93.591,987 548.516,988 43,999 57.421,1000 65.142,1001 0.277,1002 0.681,1003 0.903,1004 0.935,1005 0.935,1006 0.935,1007 5.021,1008 1.835,1009 5.911,1010 5.304,1011 4.554,1012 5.05,1013 1.459,1014 6.686,1015 4.436,1016 6.21,1017 1.721,1018 7.444,1019 5.082,1020 4.111,1021 4.796,1022 0.325,1023 7.466,1024 3.952,1025 7.502,1026 1.059,1027 9.065,1028 4.963,1029 6.12,1030 7.184,1031 1.132,1032 10.531,1033 5.899,1034 8.824,1035 1,1036 10.737,1037 2.926,1038 6.447,1039 7.686,1040 0.393,1041 12.112,1042 6.188,1043 10.172,1044 0.788,1045 12.442,1046 2.275,1047 7.925,1048 9.582,1049 0.925,1050 14.699,1051 7.612,1052 11.539,1053 0.618,1054 14.171,1055 1.802,1056 8.623,1057 10.463,1058 0.384,1059 16.669,1060 8.274,1061 12.922,1062 0.366,1063 15.919,1064 1.214,1065 9.876,1066 12.13,1067 0.765,1068 19.085,1069 9.48,1070 3.094,1071 0.253,1072 17.682,1073 0.651,1074 10.768,1075 13.228,1076 0.351,1077 21.25,1078 10.335,1079 2.765,1080 10.402,1081 19.459,1082 0.434,1083 11.923,1084 14.773,1085 0.634,1086 23.607,1087 11.447,1088 2.678,1089 8.065,1090 21.249,1091 4.145,1092 12.915,1093 15.998,1094 0.312,1095 25.865,1096 12.403,1097 2.558,1098 7.682,1099 23.049,1100 3.674,1101 14.031,1102 17.476,1103 0.525,1104 28.205,1105 13.479,1106 2.29,1107 7.214,1108 24.859,1109 3.586,1110 15.076,1111 18.776,1112 0.273,1113 30.506,1114 14.488,1115 2.145,1116 6.716,1117 26.678,1118 2.979,1119 16.179,1120 20.219,1121 0.433,1122 32.843,1123 15.553,1124 1.879,1125 6.291,1126 28.505,1127 2.755,1128 17.253,1129 21.564,1130 0.236,1131 35.165,1132 16.59,1133 12163,1134 20149,1135 22.77,1136 36.807,1137 50.016,1138 50.958,1139 51.761,1140 50.034,1141 50.098,1142 63.506,1143 4.698,1144 142.042,1145 47.045,1146 5.38,1147 5.185,1148 6.103,1149 5.153,1150 5.094,1151 7.145,1152 1.776,1153 17.29,1154 4.924,1155 15.19,1156 1.471,1157 1.499,1158 1.522,1159 1.472,1160 1.473,1161 1.868,1162 0.138,1163 4.178,1164 1.384,1165 4.02,1166 4.067,1167 3.981,1168 3.889,1169 6.456,1170 3.905,1171 3.867,1172 3.923,1173 3.803,1174 3.725,1175 5.259,1176 3.735,1177 3.836,1178 3.884,1179 3.76,1180 3.684,1181 5,1182 3.693,1183 3.701,1184 3.757,1185 3.642,1186 3.511,1187 4.859,1188 3.541,1189 3.312,1190 3.374,1191 3.188,1192 3.09,1193 4.669,1194 3.102,1195 3.237,1196 3.304,1197 3.068,1198 2.972,1199 4.412,1200 2.982,1201 3.17,1202 3.276,1203 2.992,1204 2.921,1205 4.296,1206 2.925,1207 3.072,1208 3.151,1209 2.905,1210 2.844,1211 4.03,1212 2.844,1213 0.131,1214 0.094,1215 0.193,1216 0.119,1217 0.091,1218 4.452,1219 0.122,1220 3.185,1221 0.027,1222 6.547,1223 0.306,1224 4.053,1225 0.087,1226 3.094,1227 4.145,1228 0.916,1229 10.402,1230 2.971,1231 1.92,1232 1.884,1233 1.997,1234 2.071,1235 1.284,1236 2.049,1237 1.79,1238 1.756,1239 1.899,1240 1.953,1241 1.178,1242 1.933,1243 1.664,1244 1.609,1245 1.893,1246 1.881,1247 0.982,1248 1.865,1249 1.647,1250 1.585,1251 1.795,1252 1.832,1253 0.909,1254 1.851,1255 1.453,1256 1.377,1257 1.676,1258 1.693,1259 0.777,1260 1.691,1261 1.207,1262 1.138,1263 1.569,1264 1.518,1265 0.585,1266 1.534,1267 1.15,1268 1.061,1269 1.444,1270 1.442,1271 0.56,1272 1.46,1273 1.041,1274 0.959,1275 1.335,1276 1.315,1277 0.414,1278 1.327,1279 4.234,1281 5.549,1282 2.398,1283 7.047,1284 4.595,1285 8.628,1286 6.555,1287 10.254,1289 3.35,1293 5.873,1294 9.41,1295 3.795,1296 3.281,1297 5.118,1299 0.335,1300 2.315,1305 35.342,1306 92.025,1307 226.259,1308 300.21,1309 310.965,1310 310.965,1311 310.965,1312 48.149,1313 7.64,1314 135.2,1315 135.2,1316 23,1317 12.57,1318 4.248,1319 3.322,1320 49.106,1321 120,1322 154,1323 0.187,1324 218.636,1325 371.54,1326 525.233,1327 20461,1329 21.794,1330 0.703,1331 0.568,1332 21.794,1333 17.616,1334 15.034,1335 0.442,1336 0.297,1337 9.916,1338 14.27,1339 9.651,1340 8.028,1341 15.034,1342 10.115,1343 13.5,1344 0.287,1345 0.162,1346 13.5,1347 7.591,1348 11.051,1349 0.184,1350 0.087,1351 11.051,1352 5.192,1353 9.34,1354 0.118,1355 0.046,1356 9.34,1357 3.663,1358 7.295,1359 0.074,1360 0.024,1361 7.295,1362 2.309,1363 0.291,1364 95.466,1365 0.21,1366 29.043,1367 0.523,1368 162,1369 485.401,1370 181.526,1371 467.825,1372 643.06,1373 440,1374 188,1375 475.652,1376 207.335,1377 483.362,1378 702.84,1379 451,1380 6.553}
{0 CHEMBL2165013,1 1.58,2 11.267,3 1.101,4 1.213,5 112.148,6 7.41,7 0.545,8 4.122,9 4.266,10 3.684,11 3.558,12 5.232,13 3.567,14 4.649,15 4.857,16 4.018,17 3.921,18 5.732,19 3.907,20 4.83,21 5.055,22 4.036,23 4.066,24 5.822,25 4.017,26 4.903,27 5.159,28 3.979,29 4.082,30 5.852,31 3.996,32 4.855,33 5.097,34 4.007,35 4.088,36 5.835,37 4.013,38 4.875,39 5.118,40 4.047,41 4.075,42 5.902,43 4.011,44 4.862,45 5.113,46 3.99,47 4.024,48 5.864,49 3.966,50 4.796,51 5.028,52 3.935,53 3.973,54 5.803,55 3.914,56 0.067,57 0.9,58 11.702,59 3.893,60 10.526,61 5.928,62 0.448,63 1.337,64 22.503,65 6.43,66 35.273,67 9.903,68 0.375,69 1.541,70 27.185,71 7.657,72 32.99,73 12.28,74 0.486,75 1.541,76 30.633,77 9.328,78 41.743,79 14.519,80 0.342,81 1.548,82 28.279,83 8.708,84 36.327,85 13.916,86 0.459,87 1.569,88 29.106,89 8.628,90 44.524,91 13.611,92 0.507,93 1.514,94 29.155,95 7.363,96 43.16,97 12.367,98 0.344,99 1.43,100 26.495,101 7.195,102 35.934,103 11.775,104 11,105 45,106 0.26,107 0.623,108 0.808,109 0.853,110 0.853,111 0.853,112 3.441,113 0.889,114 -3.92,115 -3.88,116 -3.68,119 36.4,120 1,124 1,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 9,177 2,178 3,180 2,183 1,187 6,190 2,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 1,212 3,215 1,217 2,220 3,222 1,223 3,224 5,226 1,227 3,228 1,229 3,231 1,232 3,234 1,236 3,237 4,240 1,242 1,245 1,249 1,250 4,252 1,253 1,255 1,258 1,260 1,262 4,263 4,265 1,266 3,267 1,268 1,271 1,273 1,275 1752,276 20.488,277 20.488,278 20.488,279 20.488,280 20.488,281 18.303,282 31.851,283 12.252,284 21.257,285 16.292,286 16.292,287 16.292,288 16.292,289 16.292,290 12.958,291 46.268,292 5.848,293 17.453,294 4.201,295 2,296 0.878,297 0.609,298 0.609,299 0.609,300 4.139,304 1,305 1,306 729,307 2.739,311 406.234,318 1.684,319 24.84,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.5,331 338,332 4.452,333 3.18,334 6.547,335 4.052,336 3.093,337 4.145,338 0.916,339 10.402,340 2.97,341 4.068,342 2.959,343 5.62,344 3.616,345 2.685,346 3.674,347 0.86,348 7.742,349 2.508,350 3.989,351 2.876,352 5.557,353 3.588,354 2.644,355 3.586,356 0.4,357 7.609,358 2.494,359 3.694,360 2.724,361 5.416,362 3.425,363 2.503,364 2.967,365 0.4,366 7.11,367 2.307,368 3.471,369 2.465,370 5.149,371 3.127,372 2.195,373 2.75,374 0.172,375 6.365,376 2.044,377 3.33,378 2.277,379 5.001,380 3.035,381 2.082,382 2.481,384 5.94,385 1.966,386 3.232,387 2.084,388 4.828,389 2.796,390 1.879,391 2.457,393 5.236,394 1.722,395 3.139,396 1.881,397 4.618,398 2.698,399 1.769,400 2.324,402 4.963,403 1.638,404 2.55,405 1.746,406 3.947,407 2.332,408 1.415,409 1.575,411 3.057,412 1.295,413 2.5,414 1.146,415 3.593,416 2,417 1.058,418 1.5,420 2.912,421 0.994,422 2.442,423 1.136,424 3.414,425 1.967,426 1,427 1.441,428 2.275,429 0.965,430 2,431 1.066,432 3.247,433 1.959,434 1,435 1,436 2.136,437 0.957,438 1.79,439 1,440 3.133,441 1.492,442 0.623,443 0.7,445 1.229,446 0.537,447 1.51,448 0.614,449 2.844,450 1.221,451 0.308,452 0.356,454 0.63,455 0.28,456 1.047,457 0.173,458 2.743,459 0.818,460 -0.115,461 -0.128,463 -0.274,464 -0.107,465 13.933,466 0.464,467 0.656,468 0.022,469 41,470 1.367,471 19.5,472 0.65,473 21.5,474 0.717,475 23.743,476 0.791,477 32.867,478 0.598,479 31.4,480 1.047,481 8.221,482 0.274,483 6.381,484 0.213,485 0.1,487 0.316,493 1.037,494 1.658,495 0.808,496 1.234,497 1.02,498 1.013,499 1.072,500 1.012,501 0.863,502 0.865,503 0.654,504 0.839,505 1.106,506 1.169,507 1.038,508 1.047,509 0.924,510 1.024,511 0.797,512 0.908,513 0.92,514 0.959,515 0.745,516 0.961,517 0.715,518 1.175,519 0.892,520 1.066,521 0.929,522 1.01,523 0.781,524 1.041,525 0.914,526 1.021,527 0.897,528 0.992,529 1.067,530 1.029,531 1.037,532 0.927,533 1.105,534 0.953,535 1.104,536 1.29,537 1.101,538 1.198,539 1.211,540 1.146,541 6.5,542 0.161,543 2.222,544 1.688,545 1.6,546 0.813,547 0.749,548 0.5,549 0.374,550 0.282,551 11621,552 30210,553 2.107,554 45.5,556 16,558 2,559 4,560 3,564 1.735,565 2,566 3.434,567 1.697,568 1,569 1,573 86.91,574 1.58,575 3.782,576 4.904,577 5.172,578 5.172,579 5.172,580 2.927,581 4.257,582 4.872,583 3.601,584 1566.41,585 8.539,586 21824.8,588 1,591 317.975,592 1.295,593 4.851,594 0.197,595 0.006,596 0.049,597 0.038,598 0.038,599 0.018,600 0.017,601 0.012,602 0.01,603 0.008,604 0.392,605 0.17,606 0.88,607 0.659,608 153.421,609 -0.115,610 -0.367,611 0.056,612 -0.134,613 -0.106,614 -0.024,615 0.074,616 0.121,617 0.091,618 0.125,619 0.269,620 0.107,621 -0.155,622 -0.067,623 -0.096,624 -0.049,625 -0.058,626 -0.057,627 0.061,628 0.094,629 0.043,630 0.051,631 0.123,632 0.041,633 0.028,634 -0.128,635 0.043,636 -0.029,637 -0.026,638 0.005,639 0.09,640 0.012,641 0.039,642 -0.024,643 0.06,644 -0.009,645 -0.086,646 0.027,647 -0.064,648 0.016,649 -0.099,650 -0.01,651 -0.131,652 -0.214,653 -0.148,654 -0.219,655 -0.16,656 -0.187,657 1.484,658 1.877,659 0.8,660 31.52,661 1.006,662 1.146,663 2.692,664 7.248,665 0.647,666 3.526,667 3.829,668 4.06,669 4.331,670 4.585,671 4.635,672 4.779,673 4.942,674 5.069,675 5.142,676 6.688,677 0.62,678 407.54,679 3.526,680 5.056,681 5.889,682 6.756,683 7.605,684 8.479,685 9.337,686 10.214,687 11.079,688 11.958,689 16.4,691 1,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 55,733 18,735 33,737 58,738 20,739 13,746 4,747 4,752 1,761 13,762 7,778 1,781 25,782 10,783 4,784 10,790 9,794 1,795 1,805 2,812 4,835 1,836 1,840 4,844 2,848 30,849 1,854 5,855 2,856 1,859 1,870 1.8,875 1,877 15,878 10.367,879 6.639,880 3.111,881 3.098,882 1.41,883 0.99,884 6.333,885 10.658,886 3.761,887 4.337,888 4.869,889 5.443,890 6.017,891 6.235,892 6.625,893 7.052,894 7.435,895 7.741,896 0.875,897 45,898 11.016,900 4.553,901 7.644,902 21.122,904 16.818,905 2.144,906 64.333,910 247.193,911 99.586,912 155.971,914 11,917 99.586,918 258.193,919 155.971,920 19.708,921 10.529,922 79.337,923 107.47,924 64.014,925 9.042,926 223.651,928 247.193,929 255.556,930 11,933 251.849,934 11,937 78.493,938 88.479,939 83.928,941 247.193,942 166.971,943 99.586,946 247.193,947 33.354,948 69.356,949 36.022,950 127.825,951 247.193,952 166.971,953 99.586,955 0.573,956 0.325,957 0.179,958 0.101,959 21,960 9,961 0.103,962 6,964 1,965 4.155,966 267.264,968 24,969 143.207,974 20.417,975 9.305,976 5.206,978 166.971,979 9.279,980 21.799,984 5.01,986 68.919,987 513.749,988 42,999 55.312,1000 63.016,1001 0.273,1002 0.654,1003 0.848,1004 0.895,1005 0.895,1006 0.895,1007 4.987,1008 1.769,1009 5.855,1010 5.236,1011 4.511,1012 5.024,1013 1.531,1014 6.616,1015 4.383,1016 6.171,1017 1.415,1018 7.376,1019 4.963,1020 4.007,1021 4.745,1022 0.325,1023 7.368,1024 3.83,1025 7.459,1026 1.058,1027 8.989,1028 3.057,1029 6.057,1030 7.163,1031 1.148,1032 10.451,1033 5.814,1034 8.777,1035 1,1036 10.656,1037 2.912,1038 6.33,1039 7.654,1040 0.393,1041 12.028,1042 6.044,1043 10.124,1044 1,1045 12.359,1046 2.275,1047 7.847,1048 9.567,1049 0.928,1050 14.629,1051 7.506,1052 11.491,1053 0.623,1054 14.087,1055 2.136,1056 8.509,1057 10.446,1058 0.384,1059 16.605,1060 8.131,1061 12.875,1062 0.308,1063 15.837,1064 1.229,1065 9.788,1066 12.121,1067 0.765,1068 19.031,1069 9.361,1070 3.093,1071 -0.115,1072 17.603,1073 0.63,1074 10.659,1075 13.219,1076 0.351,1077 21.205,1078 10.199,1079 2.685,1080 10.402,1081 19.384,1082 -0.274,1083 11.829,1084 14.768,1085 0.634,1086 23.569,1087 11.327,1088 2.644,1089 7.742,1090 21.177,1091 4.145,1092 12.812,1093 15.993,1094 0.312,1095 25.834,1096 12.278,1097 2.503,1098 7.609,1099 22.982,1100 3.674,1101 13.938,1102 17.473,1103 0.525,1104 28.179,1105 13.364,1106 2.195,1107 7.11,1108 24.797,1109 3.586,1110 14.981,1111 18.774,1112 0.273,1113 30.486,1114 14.375,1115 2.082,1116 6.365,1117 26.621,1118 2.967,1119 16.091,1120 20.218,1121 0.433,1122 32.826,1123 15.448,1124 1.879,1125 5.94,1126 28.452,1127 2.75,1128 17.167,1129 21.563,1130 0.236,1131 35.152,1132 16.491,1133 11092,1134 18073,1135 22.364,1136 35.597,1137 48.693,1138 48.981,1139 49.497,1140 48.485,1141 48.509,1142 61.914,1143 5.498,1144 135.207,1145 45.354,1146 5.452,1147 5.18,1148 6.349,1149 5.152,1150 5.093,1151 7.145,1152 1.776,1153 17.29,1154 4.92,1155 12.716,1156 1.476,1157 1.484,1158 1.5,1159 1.469,1160 1.47,1161 1.876,1162 0.167,1163 4.097,1164 1.374,1165 4.014,1166 4.061,1167 3.978,1168 3.882,1169 5.259,1170 3.899,1171 3.848,1172 3.894,1173 3.802,1174 3.714,1175 5,1176 3.728,1177 3.805,1178 3.879,1179 3.72,1180 3.59,1181 4.859,1182 3.611,1183 3.687,1184 3.749,1185 3.609,1186 3.492,1187 4.669,1188 3.516,1189 3.294,1190 3.359,1191 3.168,1192 3.061,1193 4.428,1194 3.074,1195 3.19,1196 3.283,1197 3.024,1198 2.964,1199 4.387,1200 2.968,1201 3.153,1202 3.254,1203 2.986,1204 2.941,1205 4.03,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.887,1211 3.975,1212 2.898,1213 0.135,1214 0.096,1215 0.198,1216 0.123,1217 0.094,1218 4.452,1219 0.126,1220 3.18,1221 0.028,1222 6.547,1223 0.315,1224 4.052,1225 0.09,1226 3.093,1227 4.145,1228 0.916,1229 10.402,1230 2.97,1231 1.926,1232 1.888,1233 2.026,1234 2.081,1235 1.293,1236 2.065,1237 1.798,1238 1.76,1239 1.94,1240 1.988,1241 1.079,1242 1.98,1243 1.735,1244 1.665,1245 1.875,1246 1.95,1247 0.934,1248 1.925,1249 1.611,1250 1.548,1251 1.765,1252 1.823,1253 0.825,1254 1.809,1255 1.228,1256 1.162,1257 1.572,1258 1.531,1259 0.79,1260 1.541,1261 1.173,1262 1.092,1263 1.513,1264 1.446,1265 0.627,1266 1.467,1267 1.153,1268 1.064,1269 1.465,1270 1.401,1271 0.571,1272 1.429,1273 1.099,1274 1.001,1275 1.367,1276 1.376,1277 0.298,1278 1.403,1279 4.205,1281 5.509,1283 7.008,1285 8.592,1287 10.222,1289 3.375,1293 5.877,1295 4.808,1296 6.67,1297 5.122,1300 2.394,1305 34.122,1306 86.91,1307 208.001,1308 269.71,1309 284.465,1310 284.465,1311 284.465,1312 39.21,1313 7.561,1314 127,1315 127,1316 24,1317 12.498,1318 4.248,1319 3.322,1320 46.695,1321 112,1322 146,1323 0.19,1324 211.842,1325 356.45,1326 508.654,1327 18703,1329 20.924,1330 0.697,1331 0.57,1332 20.924,1333 17.091,1334 14.602,1335 0.442,1336 0.296,1337 9.58,1338 13.84,1339 9.333,1340 7.768,1341 14.602,1342 9.781,1343 13.051,1344 0.29,1345 0.157,1346 13.051,1347 7.045,1348 10.548,1349 0.185,1350 0.084,1351 10.548,1352 4.774,1353 9,1354 0.12,1355 0.044,1356 9,1357 3.327,1358 7.335,1359 0.076,1360 0.023,1361 7.335,1362 2.27,1363 0.295,1364 92.668,1365 0.211,1366 28.231,1367 0.536,1368 156,1369 461.584,1370 175.475,1371 447.632,1372 621.3,1373 422,1374 180,1375 467.264,1376 199.227,1377 474.017,1378 688.73,1379 443,1380 7.215}
{0 CHEMBL2165014,1 1.562,2 11.742,3 1.637,4 2.681,5 117.443,6 7.268,7 0.529,8 4.168,9 4.312,10 3.717,11 3.601,12 5.264,13 3.604,14 4.705,15 4.922,16 4.056,17 3.968,18 5.759,19 3.952,20 4.877,21 5.092,22 4.082,23 4.14,24 5.859,25 4.083,26 5.019,27 5.286,28 4.015,29 4.169,30 5.925,31 4.063,32 4.959,33 5.223,34 4.03,35 4.138,36 5.885,37 4.051,38 4.898,39 5.136,40 4.07,41 4.113,42 5.919,43 4.045,44 4.924,45 5.182,46 4.028,47 4.08,48 5.897,49 4.016,50 4.843,51 5.068,52 3.985,53 4.041,54 5.853,55 3.977,56 0.046,57 0.939,58 12.626,59 4.176,60 11.145,61 6.457,62 0.474,63 1.401,64 24.456,65 6.705,66 36.293,67 10.571,68 0.339,69 1.641,70 28.42,71 8.35,72 31.588,73 13.296,74 0.488,75 1.677,76 34.945,77 10.781,78 45.756,79 16.914,80 0.393,81 1.635,82 32.606,83 9.546,84 40.772,85 15.634,86 0.433,87 1.621,88 29.811,89 8.952,90 44.458,91 14.131,92 0.508,93 1.591,94 31.559,95 8.079,96 43.955,97 13.637,98 0.306,99 1.521,100 27.812,101 7.795,102 36.88,103 12.731,104 18,105 47,106 0.255,107 0.603,108 0.795,109 0.826,110 0.848,111 0.848,112 3.472,113 0.896,114 -4.15,115 -4.09,116 -3.87,119 36.2,120 1,124 2,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 9,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 1,212 4,215 1,217 1,220 3,222 1,223 3,224 6,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 4,237 5,245 1,249 1,250 4,252 1,253 1,255 1,258 1,260 1,262 6,263 4,265 1,266 2,268 1,271 1,273 1,275 1928,276 20.936,277 20.936,278 20.936,279 20.936,280 20.936,281 18.75,282 32.043,283 12.338,284 21.747,285 16.758,286 16.758,287 16.758,288 16.758,289 16.758,290 13.424,291 46.482,292 5.883,293 17.984,294 4.296,295 2.163,296 0.983,297 0.798,298 0.66,299 0.66,300 4.169,304 1,305 1,306 782,307 2.828,311 424.599,318 1.831,319 24.356,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 67.5,331 364,332 4.452,333 3.182,334 6.547,335 4.052,336 3.093,337 4.145,338 0.916,339 10.402,340 2.971,341 4.068,342 3.002,343 5.623,344 3.625,345 2.695,346 3.674,347 0.86,348 7.762,349 2.515,350 3.99,351 2.877,352 5.572,353 3.608,354 2.669,355 3.586,356 0.8,357 7.634,358 2.506,359 3.716,360 2.742,361 5.422,362 3.463,363 2.538,364 2.97,365 0.4,366 7.13,367 2.343,368 3.496,369 2.624,370 5.166,371 3.232,372 2.291,373 2.751,374 0.172,375 6.441,376 2.155,377 3.433,378 2.406,379 5.108,380 3.078,381 2.152,382 2.549,384 6.221,385 1.982,386 3.232,387 2.171,388 4.846,389 2.842,390 1.92,391 2.481,393 5.442,394 1.764,395 3.165,396 2.083,397 4.783,398 2.796,399 1.879,400 2.386,402 5.209,403 1.721,404 2.979,405 1.872,406 4.618,407 2.682,408 1.75,409 2.002,411 4.963,412 1.625,413 2.55,414 1.146,415 3.946,416 2,417 1.059,418 1.575,420 2.927,421 0.994,422 2.5,423 1.137,424 3.414,425 1.967,426 1,427 1.5,428 2.275,429 0.965,430 2,431 1.066,432 3.414,433 1.959,434 1,435 1,436 2.275,437 0.957,438 1.796,439 1,440 3.158,441 1.501,442 0.628,443 0.706,445 1.274,446 0.544,447 1.538,448 0.657,449 2.923,450 1.282,451 0.363,452 0.408,454 0.735,455 0.332,456 1.168,457 0.273,458 2.747,459 0.979,460 0.046,461 0.05,463 0.102,464 0.043,465 14.433,466 0.466,467 0.762,468 0.025,469 41.75,470 1.347,471 19.5,472 0.629,473 22.25,474 0.718,475 25.598,476 0.826,477 34.167,478 0.589,479 32.598,480 1.052,481 8.391,482 0.271,483 6.605,484 0.213,485 0.132,487 0.333,493 1.009,494 1.729,495 0.816,496 1.293,497 1.004,498 1.057,499 1.134,500 0.944,501 0.851,502 0.776,503 0.615,504 0.771,505 1.106,506 1.234,507 1.099,508 1.142,509 0.923,510 1.115,511 0.733,512 0.941,513 0.91,514 1.002,515 0.709,516 0.989,517 0.728,518 1.06,519 0.838,520 0.939,521 0.869,522 0.902,523 0.798,524 1.083,525 0.947,526 1.065,527 0.93,528 1.033,529 1.033,530 0.987,531 0.982,532 0.877,533 1.058,534 0.9,535 1.089,536 1.364,537 1.128,538 1.273,539 1.231,540 1.208,541 7.5,542 0.185,543 2.667,544 1.75,545 1.791,546 0.868,547 0.831,548 0.556,549 0.403,550 0.357,551 12714,552 32069,553 2.084,554 46.6,556 19,558 2,559 3,560 3,564 1.742,565 1.958,566 3.489,567 0.94,569 1,573 90.613,574 1.562,575 3.695,576 4.875,577 5.06,578 5.198,579 5.198,580 3.075,581 4.503,582 4.919,583 3.664,584 1703.76,585 8.63,586 24370.7,588 1,590 1,591 339.763,592 1.383,593 4.888,594 0.221,595 0.006,596 0.057,597 0.037,598 0.042,599 0.019,600 0.018,601 0.013,602 0.01,603 0.009,604 0.432,605 0.33,606 0.88,607 0.701,608 160.598,609 -0.08,610 -0.429,611 0.068,612 -0.177,613 -0.086,614 -0.049,615 0.06,616 0.189,617 0.123,618 0.201,619 0.3,620 0.173,621 -0.162,622 -0.093,623 -0.162,624 -0.12,625 -0.071,626 -0.136,627 0.092,628 0.037,629 0.056,630 0.012,631 0.146,632 0.022,633 0.04,634 -0.06,635 0.121,636 0.072,637 0.031,638 0.107,639 0.086,640 -0.002,641 0.004,642 -0.058,643 0.048,644 -0.048,645 -0.055,646 0.058,647 -0.001,648 0.071,649 -0.052,650 0.052,651 -0.121,652 -0.257,653 -0.178,654 -0.274,655 -0.17,656 -0.238,657 1.482,658 1.892,659 0.774,660 33.761,661 1.003,662 1.145,663 2.915,664 8.499,665 0.644,666 3.555,667 3.871,668 4.094,669 4.357,670 4.625,671 4.673,672 4.812,673 4.97,674 5.106,675 5.209,676 6.932,677 0.615,678 421.57,679 3.555,680 5.094,681 5.927,682 6.797,683 7.647,684 8.521,685 9.381,686 10.258,687 11.123,688 12.002,689 15.5,692 2,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 58,733 18,735 34,737 61,738 21,739 13,746 4,747 4,752 1,761 13,762 8,778 1,781 27,782 10,783 3,784 10,790 9,794 1,795 1,805 2,812 4,836 2,840 4,844 3,848 31,849 1,854 5,855 1,856 1,859 2,870 1.7,875 1,877 15.833,878 11.317,879 6.806,880 3.261,881 3.056,882 1.4,883 0.981,884 6.565,885 10.696,886 3.784,887 4.363,888 4.885,889 5.452,890 6.026,891 6.243,892 6.633,893 7.06,894 7.445,895 7.761,896 1,897 47,898 11.389,900 4.691,901 7.624,902 21.904,904 17.44,905 2.124,906 65.833,910 282.506,911 107.982,912 141.084,914 11,917 107.982,918 293.506,919 141.084,920 28.105,921 10.529,922 61.326,923 107.47,924 67.138,925 9.042,926 258.964,928 282.506,929 249.066,930 11,933 287.162,934 11,937 63.607,938 96.876,939 83.928,941 282.506,942 152.084,943 107.982,946 282.506,947 33.354,948 80.877,949 18.011,950 127.825,951 282.506,952 152.084,953 107.982,955 0.58,956 0.326,957 0.174,958 0.102,959 22,960 10,961 0.098,962 6,964 1,965 4.216,966 279.306,968 24,969 149.58,974 21.378,975 9.52,976 5.444,978 152.084,979 9.31,980 21.864,984 5.033,986 50.908,987 542.573,988 43,999 58.196,1000 66.431,1001 0.267,1002 0.631,1003 0.832,1004 0.864,1005 0.887,1006 0.887,1007 5.021,1008 1.879,1009 5.905,1010 5.442,1011 4.554,1012 5.05,1013 1.661,1014 6.671,1015 4.422,1016 6.21,1017 1.75,1018 7.433,1019 5.209,1020 4.111,1021 4.796,1022 0.57,1023 7.434,1024 3.92,1025 7.5,1026 1.059,1027 9.05,1028 4.963,1029 6.111,1030 7.181,1031 1.271,1032 10.497,1033 5.862,1034 8.818,1035 1,1036 10.717,1037 2.927,1038 6.415,1039 7.677,1040 0.581,1041 12.063,1042 6.115,1043 10.163,1044 1,1045 12.417,1046 2.275,1047 7.903,1048 9.577,1049 1.026,1050 14.657,1051 7.551,1052 11.527,1053 0.628,1054 14.142,1055 2.275,1056 8.577,1057 10.456,1058 0.515,1059 16.623,1060 8.184,1061 12.907,1062 0.363,1063 15.886,1064 1.274,1065 9.84,1066 12.126,1067 0.841,1068 19.046,1069 9.401,1070 3.093,1071 0.046,1072 17.646,1073 0.735,1074 10.714,1075 13.223,1076 0.441,1077 21.214,1078 10.239,1079 2.695,1080 10.402,1081 19.422,1082 0.102,1083 11.876,1084 14.77,1085 0.689,1086 23.577,1087 11.359,1088 2.669,1089 7.762,1090 21.21,1091 4.145,1092 12.858,1093 15.995,1094 0.373,1095 25.839,1096 12.308,1097 2.538,1098 7.634,1099 23.01,1100 3.674,1101 13.978,1102 17.475,1103 0.564,1104 28.183,1105 13.389,1106 2.291,1107 7.13,1108 24.821,1109 3.586,1110 15.018,1111 18.775,1112 0.314,1113 30.489,1114 14.397,1115 2.152,1116 6.441,1117 26.641,1118 2.97,1119 16.125,1120 20.219,1121 0.461,1122 32.828,1123 15.468,1124 1.92,1125 6.221,1126 28.47,1127 2.751,1128 17.198,1129 21.564,1130 0.264,1131 35.153,1132 16.508,1133 12185,1134 19571,1135 22.77,1136 37.358,1137 50.416,1138 50.583,1139 51.67,1140 50.166,1141 50.162,1142 63.565,1143 6.298,1144 141.58,1145 46.828,1146 5.452,1147 5.182,1148 6.1,1149 5.152,1150 5.093,1151 7.145,1152 1.776,1153 17.29,1154 4.921,1155 15.167,1156 1.483,1157 1.488,1158 1.52,1159 1.475,1160 1.475,1161 1.87,1162 0.185,1163 4.164,1164 1.377,1165 4.016,1166 4.064,1167 3.979,1168 3.883,1169 5.259,1170 3.9,1171 3.85,1172 3.906,1173 3.802,1174 3.715,1175 5,1176 3.729,1177 3.821,1178 3.884,1179 3.733,1180 3.611,1181 4.859,1182 3.63,1183 3.698,1184 3.759,1185 3.631,1186 3.503,1187 4.669,1188 3.53,1189 3.321,1190 3.402,1191 3.197,1192 3.092,1193 4.42,1194 3.104,1195 3.24,1196 3.317,1197 3.069,1198 2.973,1199 4.377,1200 2.983,1201 3.169,1202 3.277,1203 2.991,1204 2.941,1205 4.03,1206 2.923,1207 3.111,1208 3.206,1209 2.866,1210 2.921,1211 4.001,1212 2.91,1213 0.131,1214 0.094,1215 0.193,1216 0.119,1217 0.091,1218 4.452,1219 0.122,1220 3.182,1221 0.027,1222 6.547,1223 0.306,1224 4.052,1225 0.087,1226 3.093,1227 4.145,1228 0.916,1229 10.402,1230 2.971,1231 1.926,1232 1.889,1233 2.032,1234 2.083,1235 1.318,1236 2.069,1237 1.801,1238 1.761,1239 1.95,1240 2.002,1241 1.09,1242 1.992,1243 1.752,1244 1.685,1245 1.879,1246 1.951,1247 0.936,1248 1.927,1249 1.618,1250 1.556,1251 1.769,1252 1.831,1253 0.825,1254 1.816,1255 1.267,1256 1.188,1257 1.578,1258 1.551,1259 0.795,1260 1.56,1261 1.195,1262 1.116,1263 1.558,1264 1.495,1265 0.686,1266 1.518,1267 1.153,1268 1.064,1269 1.513,1270 1.441,1271 0.577,1272 1.458,1273 1.139,1274 1.039,1275 1.446,1276 1.376,1277 0.546,1278 1.429,1279 4.234,1281 5.549,1283 7.052,1285 8.639,1287 10.27,1289 5.532,1293 5.892,1295 5.001,1296 3.307,1297 5.13,1300 4.765,1305 35.649,1306 90.613,1307 214.323,1308 282.743,1309 293.498,1310 301.498,1311 301.498,1312 41.61,1313 7.641,1314 118.21,1315 118.21,1316 24,1317 12.541,1318 4.248,1319 3.322,1320 49.105,1321 120,1322 154,1323 0.187,1324 221.434,1325 373.75,1326 532.06,1327 20622,1329 21.794,1330 0.703,1331 0.582,1332 21.794,1333 18.038,1334 14.996,1335 0.441,1336 0.299,1337 9.941,1338 14.199,1339 9.621,1340 8.03,1341 14.996,1342 10.154,1343 13.673,1344 0.291,1345 0.162,1346 13.673,1347 7.598,1348 10.959,1349 0.186,1350 0.087,1351 10.959,1352 5.16,1353 9.142,1354 0.119,1355 0.045,1356 9.142,1357 3.463,1358 7.626,1359 0.076,1360 0.025,1361 7.626,1362 2.497,1363 0.291,1364 95.228,1365 0.21,1366 29.058,1367 0.522,1368 162,1369 472.896,1370 181.836,1371 458.768,1372 635.5,1373 432,1374 187,1375 476.898,1376 207.06,1377 485.818,1378 704.34,1379 452,1380 6.585}
{0 CHEMBL2165015,1 1.672,2 13.412,3 1.54,4 2.372,5 123.338,6 7.632,7 0.486,8 4.228,9 4.36,10 3.81,11 3.638,12 5.38,13 3.661,14 4.76,15 4.96,16 4.153,17 3.997,18 5.912,19 4,20 4.914,21 5.114,22 4.202,23 4.168,24 5.976,25 4.141,26 5.071,27 5.3,28 4.154,29 4.205,30 6.127,31 4.147,32 5.03,33 5.259,34 4.139,35 4.219,36 6.057,37 4.147,38 5.044,39 5.297,40 4.144,41 4.205,42 6.028,43 4.127,44 5.024,45 5.284,46 4.1,47 4.13,48 6.018,49 4.075,50 4.885,51 5.097,52 4.095,53 4.083,54 5.961,55 4.042,56 0.119,57 0.967,58 12.376,59 4.378,60 11.838,61 6.36,62 0.77,63 1.431,64 25.23,65 7.007,66 50.277,67 10.497,68 0.469,69 1.683,70 28.129,71 8.41,72 36.213,73 12.854,74 0.841,75 1.729,76 36.269,77 10.467,78 78.818,79 15.432,80 0.711,81 1.747,82 33.925,83 10.29,84 62.797,85 15.797,86 0.607,87 1.772,88 34.77,89 10.576,90 53.835,91 16.613,92 0.778,93 1.672,94 35.317,95 8.682,96 61.94,97 14.361,98 0.435,99 1.572,100 27.739,101 8.093,102 41.167,103 12.68,104 31,105 51,106 0.269,107 0.619,108 0.794,109 0.838,110 0.854,111 0.854,112 3.561,113 0.871,114 -3.66,115 -3.63,116 -3.46,119 36.1,120 1,124 2,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,159 1,163 1,164 1,165 1,172 3,174 7,175 9,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 3,212 4,215 1,217 1,220 3,222 1,223 3,224 6,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 4,237 7,245 1,249 1,250 6,252 1,253 1,255 1,258 1,260 1,262 8,263 6,265 1,266 2,268 1,271 1,273 1,275 2484,276 23.013,277 23.013,278 23.013,279 23.013,280 23.013,281 20.697,282 33.913,283 13.475,284 23.987,285 18.147,286 18.147,287 18.147,288 18.147,289 18.147,290 14.517,291 46.823,292 6.297,293 19.508,294 4.259,295 2.089,296 1,297 0.726,298 0.627,299 0.627,300 4.255,304 1,305 1,306 971,307 3.464,311 481.85,318 2,319 34.708,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 75.5,331 456,332 4.452,333 3.762,334 6.547,335 4.053,336 3.093,337 4.145,338 2.208,339 10.402,340 2.971,341 4.068,342 3.179,343 6.023,344 3.751,345 2.823,346 3.674,347 0.916,348 8.555,349 2.61,350 3.995,351 2.96,352 5.617,353 3.614,354 2.681,355 3.586,356 0.86,357 7.72,358 2.507,359 3.948,360 2.876,361 5.545,362 3.545,363 2.602,364 3.105,365 0.655,366 7.566,367 2.448,368 3.671,369 2.726,370 5.413,371 3.379,372 2.451,373 2.959,374 0.4,375 7.096,376 2.271,377 3.467,378 2.487,379 5.148,380 3.103,381 2.178,382 2.749,383 0.172,384 6.357,385 2.002,386 3.289,387 2.329,388 4.99,389 2.993,390 2.039,391 2.481,392 0.13,393 5.889,394 1.933,395 3.232,396 2.09,397 4.827,398 2.796,399 1.879,400 2.438,402 5.234,403 1.722,404 3.133,405 2.064,406 4.618,407 2.694,408 1.764,409 2.292,411 4.963,412 1.635,413 2.577,414 1.87,415 4.11,416 2.333,417 1.415,418 1.575,420 3.506,421 1.283,422 2.55,423 1.461,424 3.945,425 2,426 1.058,427 1.539,428 2.925,429 0.994,430 2.5,431 1.146,432 3.414,433 1.967,434 1,435 1.5,436 2.275,437 0.965,438 2,439 1.137,440 3.414,441 1.959,442 1,443 1,445 2.275,446 0.957,447 1.794,448 1.066,449 3.158,450 1.497,451 0.626,452 0.704,454 1.255,455 0.541,456 1.531,457 1,458 2.932,459 1.269,460 0.363,461 0.405,463 0.701,464 0.327,465 15.6,466 0.459,467 0.814,468 0.024,469 45.5,470 1.338,471 21,472 0.618,473 24.5,474 0.721,475 28.499,476 0.838,477 37.8,478 0.62,479 37.877,480 1.114,481 9.332,482 0.274,483 7.112,484 0.209,485 0.143,487 0.34,493 0.925,494 1.749,495 0.766,496 1.331,497 0.753,498 1.052,499 0.937,500 0.919,501 0.819,502 0.748,503 0.548,504 0.758,505 0.973,506 1.273,507 1.014,508 1.149,509 0.802,510 1.08,511 1.195,512 0.924,513 1.081,514 0.961,515 1.436,516 1.004,517 0.857,518 1.134,519 1.008,520 1.062,521 1.066,522 1.07,523 0.57,524 1.059,525 0.868,526 1.06,527 0.533,528 1.024,529 0.977,530 0.905,531 0.971,532 0.792,533 0.886,534 0.846,535 0.912,536 1.378,537 1.056,538 1.284,539 0.813,540 1.194,541 8,542 0.268,543 3.333,544 2,545 1.871,546 1.076,547 0.871,548 0.618,549 0.427,550 0.377,551 16553,552 49447,553 2.059,554 44.3,556 19,558 2,559 3,560 3,564 1.764,565 1.925,566 3.661,567 0.928,569 1,573 102.001,574 1.672,575 3.842,576 4.93,577 5.205,578 5.303,579 5.303,580 3.197,581 4.477,582 5.051,583 3.845,584 2156.77,585 8.886,586 33393.2,591 361.775,592 1.419,593 5.016,594 0.216,595 0.007,596 0.065,597 0.038,598 0.038,599 0.022,600 0.018,601 0.013,602 0.009,603 0.009,604 0.436,605 0.33,606 0.75,607 0.946,608 182.696,609 -0.099,610 -0.451,611 0.061,612 -0.209,613 -0.073,614 -0.061,615 0.153,616 0.205,617 0.131,618 0.231,619 0.217,620 0.178,621 -0.142,622 -0.118,623 -0.112,624 -0.124,625 -0.048,626 -0.106,627 -0.143,628 0.08,629 -0.104,630 0.035,631 -0.164,632 -0.026,633 -0.023,634 -0.096,635 -0.068,636 -0.027,637 -0.122,638 -0.06,639 0.092,640 -0.031,641 0.071,642 -0.047,643 0.049,644 -0.005,645 -0.105,646 0.106,647 0.012,648 0.144,649 -0.079,650 0.115,651 -0.104,652 -0.257,653 -0.142,654 -0.272,655 -0.057,656 -0.217,657 1.963,658 4.739,659 0.706,660 40.948,661 1.014,662 1.145,663 2.432,664 5.913,665 0.644,666 3.638,667 3.951,668 4.19,669 4.431,670 4.682,671 4.762,672 4.905,673 5.05,674 5.176,675 5.293,676 7.711,677 0.624,678 465.58,679 3.638,680 5.176,681 6.014,682 6.882,683 7.736,684 8.609,685 9.47,686 10.347,687 11.212,688 12.091,689 14.8,692 1,693 1,696 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 61,733 19,735 37,737 64,738 22,739 13,746 4,747 4,752 1,761 14,762 8,766 1,771 1,775 1,778 1,781 27,782 12,783 3,784 12,790 9,794 1,795 3,805 2,812 4,836 1,837 1,840 4,844 3,848 34,849 1,854 5,855 1,856 2,859 2,870 4.9,873 1,875 2,877 17.667,878 11.9,879 7.583,880 3.361,881 2.985,882 1.38,883 0.966,884 7.602,885 10.835,886 3.871,887 4.437,888 4.951,889 5.485,890 6.045,891 6.27,892 6.654,893 7.079,894 7.464,895 7.788,896 1,897 53,898 12.494,900 5.164,901 7.794,902 23.591,904 18.572,905 2.294,906 78,910 282.506,911 117.231,912 141.084,914 47.145,917 117.231,918 329.651,919 141.084,920 30.591,921 13.653,922 61.326,923 132.615,924 75.013,925 15.804,926 258.964,928 282.506,929 258.315,930 47.145,933 287.162,934 47.145,937 63.607,938 106.125,939 83.928,941 282.506,942 188.229,943 117.231,946 282.506,947 40.116,948 83.364,949 18.011,950 163.97,951 282.506,952 188.229,953 117.231,955 0.578,956 0.335,957 0.174,958 0.097,959 23,960 11,961 0.109,962 7,964 1,965 4.445,966 313.9,968 24,969 166.219,974 23.921,975 10.804,976 6.028,978 188.229,979 9.07,980 21.755,984 4.584,986 50.908,987 587.967,988 47,993 11.739,997 -0.296,999 61.851,1000 69.85,1001 0.282,1002 0.648,1003 0.831,1004 0.878,1005 0.894,1006 0.894,1007 5.109,1008 1.879,1009 5.994,1010 5.889,1011 4.635,1012 5.124,1013 2.601,1014 6.77,1015 4.501,1016 6.298,1017 1.764,1018 7.532,1019 5.234,1020 4.205,1021 4.89,1022 1.905,1023 7.573,1024 4.018,1025 7.592,1026 1.415,1027 9.161,1028 4.963,1029 6.205,1030 7.246,1031 3.587,1032 10.628,1033 5.949,1034 8.914,1035 1.058,1036 10.841,1037 3.506,1038 6.538,1039 7.762,1040 3.668,1041 12.224,1042 6.233,1043 10.262,1044 1,1045 12.555,1046 2.925,1047 8.015,1048 9.631,1049 4.966,1050 14.802,1051 7.651,1052 11.63,1053 1,1054 14.292,1055 2.275,1056 8.715,1057 10.517,1058 5.372,1059 16.772,1060 8.305,1061 13.011,1062 0.626,1063 16.047,1064 2.275,1065 9.968,1066 12.167,1067 6.46,1068 19.179,1069 9.508,1070 3.093,1071 0.363,1072 17.816,1073 1.255,1074 10.858,1075 13.264,1076 7.028,1077 21.336,1078 10.355,1079 2.823,1080 10.402,1081 19.599,1082 0.701,1083 12.013,1084 14.799,1085 7.994,1086 23.683,1087 11.465,1088 2.681,1089 8.555,1090 21.391,1091 4.145,1092 13.001,1093 16.021,1094 8.654,1095 25.932,1096 12.414,1097 2.602,1098 7.72,1099 23.194,1100 3.674,1101 14.116,1102 17.493,1103 9.549,1104 28.263,1105 13.487,1106 2.451,1107 7.566,1108 25.005,1109 3.586,1110 15.157,1111 18.791,1112 10.263,1113 30.556,1114 14.491,1115 2.178,1116 7.096,1117 26.823,1118 3.105,1119 16.258,1120 20.23,1121 11.116,1122 32.885,1123 15.554,1124 2.039,1125 6.357,1126 28.648,1127 2.959,1128 17.328,1129 21.573,1130 11.862,1131 35.201,1132 16.588,1133 16000,1134 27807,1135 24.561,1136 39.267,1137 54.693,1138 56.256,1139 56.7,1140 54.306,1141 54.366,1142 68.783,1143 10.683,1144 154.063,1145 50.701,1146 5.452,1147 5.762,1148 6.1,1149 5.153,1150 5.093,1151 7.145,1152 3.912,1153 17.29,1154 4.921,1155 18.202,1156 1.478,1157 1.52,1158 1.532,1159 1.468,1160 1.469,1161 1.859,1162 0.289,1163 4.164,1164 1.37,1165 4.017,1166 4.064,1167 3.98,1168 3.883,1169 7.433,1170 3.9,1171 3.852,1172 3.906,1173 3.802,1174 3.715,1175 5.259,1176 3.729,1177 3.828,1178 3.884,1179 3.754,1180 3.612,1181 5,1182 3.636,1183 3.704,1184 3.76,1185 3.653,1186 3.503,1187 4.859,1188 3.534,1189 3.427,1190 3.462,1191 3.343,1192 3.121,1193 4.669,1194 3.165,1195 3.282,1196 3.343,1197 3.142,1198 3.016,1199 4.518,1200 3.037,1201 3.18,1202 3.28,1203 3.002,1204 2.958,1205 4.411,1206 2.959,1207 3.141,1208 3.233,1209 2.974,1210 2.941,1211 4.286,1212 2.91,1213 0.12,1214 0.102,1215 0.177,1216 0.11,1217 0.084,1218 4.452,1219 0.112,1220 3.762,1221 0.06,1222 6.547,1223 0.281,1224 4.053,1225 0.08,1226 3.093,1227 4.145,1228 2.208,1229 10.402,1230 2.971,1231 1.926,1232 1.889,1233 2.025,1234 2.083,1235 1.309,1236 2.066,1237 1.8,1238 1.761,1239 1.938,1240 2.001,1241 1.085,1242 1.985,1243 1.747,1244 1.684,1245 1.874,1246 1.95,1247 0.935,1248 1.926,1249 1.616,1250 1.556,1251 1.765,1252 1.832,1253 0.825,1254 1.813,1255 1.291,1256 1.244,1257 1.598,1258 1.63,1259 0.791,1260 1.606,1261 1.214,1262 1.147,1263 1.571,1264 1.525,1265 0.636,1266 1.538,1267 1.165,1268 1.083,1269 1.513,1270 1.444,1271 0.579,1272 1.465,1273 1.153,1274 1.064,1275 1.463,1276 1.388,1277 0.57,1278 1.429,1279 4.317,1281 5.631,1283 7.136,1285 8.726,1287 10.358,1289 4.728,1293 5.89,1295 3.36,1296 3.275,1297 9.937,1300 3.959,1305 38.078,1306 102.001,1307 234.335,1308 300.755,1309 317.51,1310 323.51,1311 323.51,1312 55.073,1313 7.85,1314 144.51,1315 144.51,1316 24,1317 12.631,1318 4.322,1319 3.459,1320 56.683,1321 148,1322 186,1323 0.176,1324 236.092,1325 405.99,1326 567.824,1327 27025,1329 24.079,1330 0.708,1331 0.569,1332 24.079,1333 19.355,1334 16.444,1335 0.444,1336 0.29,1337 10.485,1338 15.444,1339 10.187,1340 8.482,1341 16.444,1342 10.746,1343 14.713,1344 0.288,1345 0.152,1346 14.713,1347 7.752,1348 12.164,1349 0.187,1350 0.083,1351 12.164,1352 5.369,1353 9.903,1354 0.119,1355 0.044,1356 9.903,1357 3.675,1358 7.991,1359 0.075,1360 0.024,1361 7.991,1362 2.529,1363 0.277,1364 105.491,1365 0.202,1366 31.541,1367 0.482,1368 176,1369 584.367,1370 201.926,1371 554.112,1372 754.9,1373 520,1374 204,1375 555.136,1376 229.211,1377 560.992,1378 814.7,1379 521,1380 7.027}
{0 CHEMBL2165016,1 1.615,2 13.543,3 1.099,4 1.207,5 130.184,6 7.364,7 0.474,8 4.28,9 4.423,10 3.834,11 3.692,12 5.401,13 3.702,14 4.819,15 5.037,16 4.182,17 4.06,18 5.907,19 4.051,20 4.989,21 5.193,22 4.245,23 4.24,24 6.05,25 4.202,26 5.167,27 5.416,28 4.189,29 4.279,30 6.193,31 4.207,32 5.097,33 5.332,34 4.18,35 4.306,36 6.089,37 4.219,38 5.171,39 5.441,40 4.174,41 4.296,42 6.1,43 4.193,44 5.115,45 5.396,46 4.12,47 4.189,48 6.055,49 4.117,50 4.925,51 5.14,52 4.113,53 4.136,54 5.976,55 4.083,56 0.079,57 1.04,58 13.895,59 4.535,60 10.786,61 7.081,62 0.667,63 1.537,64 27.498,65 7.289,66 40.411,67 11.601,68 0.402,69 1.809,70 31.319,71 9.164,72 36.375,73 14.502,74 0.841,75 1.872,76 41.137,77 11.118,78 84.045,79 17.378,80 0.57,81 1.9,82 36.392,83 11.237,84 55.972,85 17.692,86 0.59,87 1.923,88 40.719,89 12.182,90 57.684,91 19.597,92 0.757,93 1.769,94 39.74,95 9.389,96 61.208,97 16.319,98 0.362,99 1.65,100 29.652,101 8.511,102 39.313,103 13.771,104 42,105 53,106 0.257,107 0.604,108 0.797,109 0.833,110 0.833,111 0.833,112 3.588,113 0.888,114 -3.88,115 -3.83,116 -3.64,119 35.4,120 1,124 3,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,159 1,163 1,164 1,165 1,172 3,174 7,175 9,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 3,212 4,215 1,217 1,220 3,222 1,223 3,224 6,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 4,237 7,245 1,249 1,250 6,252 1,253 1,255 1,258 1,260 1,262 8,263 6,265 1,266 2,268 1,271 1,273 1,275 2658,276 23.35,277 23.35,278 23.35,279 23.35,280 23.35,281 21.059,282 35.333,283 13.615,284 24.25,285 18.683,286 18.683,287 18.683,288 18.683,289 18.683,290 15.089,291 49.046,292 6.429,293 20.02,294 4.407,295 2.228,296 1.012,297 0.785,298 0.785,299 0.785,300 4.281,305 1,306 1006,307 3.742,311 501.234,318 2.07,319 33.384,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 77,331 474,332 4.452,333 3.77,334 6.547,335 4.053,336 3.093,337 4.145,338 1.741,339 10.402,340 2.971,341 4.073,342 3.179,343 6.284,344 3.86,345 2.921,346 3.674,347 0.916,348 9.194,349 2.734,350 4.064,351 2.962,352 5.62,353 3.614,354 2.683,355 3.586,356 0.86,357 7.734,358 2.508,359 3.987,360 2.876,361 5.557,362 3.568,363 2.623,364 3.232,365 0.693,366 7.599,367 2.477,368 3.683,369 2.726,370 5.417,371 3.408,372 2.483,373 2.964,374 0.4,375 7.108,376 2.294,377 3.469,378 2.496,379 5.151,380 3.125,381 2.194,382 2.75,383 0.343,384 6.368,385 2.04,386 3.327,387 2.346,388 5.046,389 3.04,390 2.092,391 2.481,392 0.172,393 5.983,394 1.967,395 3.232,396 2.122,397 4.837,398 2.797,399 1.879,400 2.452,402 5.247,403 1.722,404 3.142,405 2.082,406 4.768,407 2.73,408 1.816,409 2.326,411 4.963,412 1.658,413 2.815,414 1.92,415 4.618,416 2.658,417 1.733,418 1.82,420 4.933,421 1.596,422 2.55,423 1.868,424 3.946,425 2,426 1.059,427 1.575,428 2.927,429 0.994,430 2.5,431 1.146,432 3.414,433 1.967,434 1,435 1.5,436 2.275,437 0.965,438 2.119,439 1.137,440 3.414,441 1.959,442 1,443 1,445 2.275,446 0.957,447 2,448 1.066,449 3.276,450 1.746,451 0.74,452 0.894,454 1.676,455 0.731,456 1.792,457 1,458 3.121,459 1.49,460 0.617,461 0.698,463 1.211,464 0.534,465 16.167,466 0.462,467 0.941,468 0.027,469 46.25,470 1.321,471 21,472 0.6,473 25.25,474 0.721,475 30.612,476 0.875,477 39.033,478 0.601,479 39.156,480 1.119,481 9.419,482 0.269,483 7.398,484 0.211,485 0.169,487 0.353,493 0.927,494 1.819,495 0.8,496 1.348,497 0.757,498 1.084,499 0.958,500 0.872,501 0.813,502 0.718,503 0.55,504 0.73,505 1.064,506 1.341,507 1.054,508 1.224,509 0.901,510 1.139,511 1.283,512 0.863,513 1.062,514 0.872,515 1.668,516 0.931,517 0.802,518 1.161,519 1.029,520 1.144,521 1.024,522 1.131,523 0.58,524 1.046,525 0.859,526 1.062,527 0.513,528 1.016,529 0.996,530 0.836,531 0.919,532 0.722,533 0.841,534 0.775,535 0.971,536 1.406,537 1.081,538 1.307,539 0.843,540 1.215,541 8.5,542 0.276,543 3.556,544 2.25,545 2.031,546 1.104,547 0.952,548 0.618,549 0.477,550 0.397,551 17934,552 49570,553 2.041,554 46.2,556 22,558 2,559 3,560 3,564 1.77,565 1.892,566 3.686,567 0.905,573 104.986,574 1.615,575 3.794,576 5.01,577 5.237,578 5.237,579 5.237,580 3.214,581 4.501,582 5.094,583 3.887,584 2312.89,585 8.967,586 36712.1,591 391.454,592 1.472,593 5.05,594 0.224,595 0.007,596 0.067,597 0.041,598 0.04,599 0.022,600 0.019,601 0.013,602 0.01,603 0.009,604 0.451,605 0.33,606 0.75,607 0.965,608 190.071,609 -0.083,610 -0.496,611 0.065,612 -0.214,613 -0.074,614 -0.069,615 0.132,616 0.269,617 0.155,618 0.254,619 0.187,620 0.212,621 -0.14,622 -0.179,623 -0.128,624 -0.18,625 -0.035,626 -0.151,627 -0.149,628 0.125,629 -0.064,630 0.106,631 -0.171,632 0.039,633 -0.009,634 -0.092,635 -0.096,636 -0.09,637 -0.099,638 -0.11,639 0.123,640 -0.06,641 0.096,642 -0.045,643 0.074,644 0.007,645 -0.076,646 0.137,647 0.081,648 0.202,649 -0.035,650 0.181,651 -0.105,652 -0.27,653 -0.153,654 -0.276,655 -0.061,656 -0.227,657 1.625,658 5.218,659 0.686,660 43.131,661 1.008,662 1.147,663 2.646,664 7.003,665 0.64,666 3.664,667 3.989,668 4.22,669 4.454,670 4.7,671 4.779,672 4.934,673 5.075,674 5.198,675 5.313,676 7.935,677 0.614,678 478.63,679 3.664,680 5.209,681 6.047,682 6.919,683 7.773,684 8.648,685 9.509,686 10.386,687 11.253,688 12.131,689 15.4,692 1,693 1,696 2,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 65,733 19,735 38,737 68,738 23,739 13,746 4,747 4,751 1,752 1,761 14,762 9,766 1,771 1,775 1,781 30,782 12,783 3,784 12,790 10,794 1,795 2,805 2,812 4,836 1,840 4,844 4,848 35,849 1,854 5,855 1,856 1,859 3,870 3.1,873 1,875 1,877 18.5,878 12.933,879 7.694,880 3.603,881 2.955,882 1.373,883 0.966,884 7.833,885 10.867,886 3.892,887 4.46,888 4.972,889 5.494,890 6.05,891 6.274,892 6.659,893 7.082,894 7.468,895 7.792,896 1,897 55,898 12.882,900 5.318,901 7.743,902 24.471,904 19.328,905 2.243,906 78.5,910 317.82,911 120.654,912 144.209,914 36.145,917 120.654,918 353.965,919 144.209,920 36.501,921 16.777,922 61.326,923 132.615,924 64.014,925 13.317,926 294.278,928 317.82,929 264.863,930 36.145,933 322.476,934 36.145,937 66.731,938 109.548,939 83.928,941 317.82,942 180.353,943 120.654,946 317.82,947 37.63,948 92.398,949 18.011,950 152.97,951 317.82,952 180.353,953 120.654,955 0.584,956 0.334,957 0.171,958 0.095,959 24,960 12,961 0.088,962 6,964 1,965 4.5,966 326.585,968 24,969 173.525,974 24.89,975 11.015,976 6.267,978 180.353,979 9.129,980 21.833,984 4.662,986 50.908,987 618.827,988 48,993 12.218,997 0.042,999 65.509,1000 74.554,1001 0.268,1002 0.63,1003 0.832,1004 0.87,1005 0.87,1006 0.87,1007 5.139,1008 1.879,1009 6.038,1010 5.983,1011 4.673,1012 5.147,1013 2.34,1014 6.821,1015 4.544,1016 6.333,1017 1.816,1018 7.584,1019 5.247,1020 4.29,1021 4.934,1022 1.494,1023 7.644,1024 4.105,1025 7.628,1026 1.733,1027 9.222,1028 4.963,1029 6.252,1030 7.266,1031 2.744,1032 10.702,1033 6.005,1034 8.951,1035 1.059,1036 10.912,1037 4.933,1038 6.621,1039 7.795,1040 2.637,1041 12.312,1042 6.325,1043 10.302,1044 1,1045 12.634,1046 2.927,1047 8.077,1048 9.651,1049 3.559,1050 14.899,1051 7.725,1052 11.671,1053 1,1054 14.381,1055 2.275,1056 8.803,1057 10.544,1058 3.789,1059 16.877,1060 8.406,1061 13.055,1062 0.74,1063 16.145,1064 2.275,1065 10.047,1066 12.186,1067 4.545,1068 19.291,1069 9.599,1070 3.093,1071 0.617,1072 17.924,1073 1.676,1074 10.954,1075 13.286,1076 4.935,1077 21.45,1078 10.464,1079 2.921,1080 10.402,1081 19.715,1082 1.211,1083 12.107,1084 14.815,1085 5.6,1086 23.799,1087 11.57,1088 2.683,1089 9.194,1090 21.517,1091 4.145,1092 13.107,1093 16.037,1094 6.068,1095 26.044,1096 12.529,1097 2.623,1098 7.734,1099 23.328,1100 3.674,1101 14.222,1102 17.506,1103 6.683,1104 28.373,1105 13.6,1106 2.483,1107 7.599,1108 25.147,1109 3.586,1110 15.271,1111 18.803,1112 7.191,1113 30.661,1114 14.609,1115 2.194,1116 7.108,1117 26.973,1118 3.232,1119 16.373,1120 20.24,1121 7.779,1122 32.985,1123 15.669,1124 2.092,1125 6.368,1126 28.805,1127 2.964,1128 17.447,1129 21.582,1130 8.309,1131 35.294,1132 16.705,1133 17373,1134 29071,1135 24.967,1136 41.58,1137 57.035,1138 58.029,1139 58.496,1140 56.514,1141 56.481,1142 70.911,1143 10.252,1144 161.061,1145 52.86,1146 5.452,1147 5.77,1148 6.1,1149 5.153,1150 5.093,1151 7.145,1152 3.026,1153 17.29,1154 4.921,1155 20.315,1156 1.501,1157 1.527,1158 1.539,1159 1.487,1160 1.486,1161 1.866,1162 0.27,1163 4.238,1164 1.391,1165 4.018,1166 4.066,1167 3.98,1168 3.884,1169 7.428,1170 3.901,1171 3.857,1172 3.918,1173 3.802,1174 3.715,1175 5.259,1176 3.729,1177 3.835,1178 3.885,1179 3.766,1180 3.622,1181 5,1182 3.647,1183 3.714,1184 3.773,1185 3.663,1186 3.509,1187 4.859,1188 3.542,1189 3.553,1190 3.636,1191 3.435,1192 3.295,1193 4.669,1194 3.317,1195 3.293,1196 3.357,1197 3.16,1198 3.059,1199 4.414,1200 3.07,1201 3.192,1202 3.283,1203 3.026,1204 2.964,1205 4.337,1206 2.968,1207 3.157,1208 3.255,1209 2.987,1210 2.941,1211 4.187,1212 2.91,1213 0.117,1214 0.099,1215 0.172,1216 0.107,1217 0.081,1218 4.452,1219 0.109,1220 3.77,1221 0.046,1222 6.547,1223 0.274,1224 4.053,1225 0.078,1226 3.093,1227 4.145,1228 1.741,1229 10.402,1230 2.971,1231 1.926,1232 1.889,1233 2.026,1234 2.084,1235 1.311,1236 2.068,1237 1.802,1238 1.762,1239 1.942,1240 2.01,1241 1.086,1242 1.992,1243 1.754,1244 1.692,1245 1.877,1246 1.951,1247 0.936,1248 1.927,1249 1.622,1250 1.561,1251 1.783,1252 1.847,1253 0.838,1254 1.829,1255 1.488,1256 1.403,1257 1.754,1258 1.763,1259 0.825,1260 1.764,1261 1.227,1262 1.16,1263 1.571,1264 1.529,1265 0.789,1266 1.54,1267 1.173,1268 1.092,1269 1.513,1270 1.445,1271 0.63,1272 1.466,1273 1.153,1274 1.064,1275 1.463,1276 1.401,1277 0.571,1278 1.429,1279 4.344,1281 5.666,1283 7.175,1285 8.767,1287 10.4,1289 6.888,1293 5.907,1295 3.623,1296 3.288,1297 5.134,1300 5.776,1305 39.912,1306 104.986,1307 246.617,1308 325.679,1309 340.434,1310 340.434,1311 340.434,1312 59.215,1313 7.912,1314 138.52,1315 138.52,1316 24,1317 12.671,1318 4.322,1319 3.459,1320 59.315,1321 158,1322 186,1323 0.173,1324 248.482,1325 425.5,1326 598.056,1327 29270,1329 24.949,1330 0.713,1331 0.583,1332 24.949,1333 20.394,1334 16.817,1335 0.443,1336 0.296,1337 10.995,1338 15.859,1339 10.618,1340 8.879,1341 16.817,1342 11.252,1343 15.431,1344 0.291,1345 0.16,1346 15.431,1347 8.459,1348 12.51,1349 0.187,1350 0.083,1351 12.51,1352 5.59,1353 10.071,1354 0.118,1355 0.045,1356 10.071,1357 3.838,1358 8.115,1359 0.074,1360 0.024,1361 8.115,1362 2.641,1363 0.274,1364 107.355,1365 0.2,1366 32.326,1367 0.472,1368 182,1369 566.277,1370 206.631,1371 544.361,1372 744.82,1373 510,1374 211,1375 552.703,1376 236.216,1377 561.517,1378 814.19,1379 521,1380 7.076}
{0 CHEMBL2165017,1 1.768,2 12.794,3 1.212,4 1.469,5 126.085,6 7.961,7 0.486,8 4.228,9 4.352,10 3.968,11 3.693,12 5.327,13 3.683,14 4.78,15 4.97,16 4.251,17 4.054,18 6.039,19 4.034,20 4.97,21 5.166,22 4.262,23 4.225,24 6.064,25 4.173,26 5.088,27 5.312,28 4.196,29 4.263,30 6.148,31 4.175,32 5.093,33 5.342,34 4.154,35 4.234,36 6.125,37 4.144,38 5.004,39 5.256,40 4.163,41 4.182,42 6.005,43 4.102,44 4.962,45 5.198,46 4.155,47 4.142,48 6.02,49 4.08,50 4.92,51 5.139,52 4.171,53 4.127,54 6.002,55 4.065,56 0.159,57 1.011,58 14.917,59 4.938,60 21.049,61 6.525,62 0.736,63 1.507,64 28.332,65 8.202,66 70.789,67 11.059,68 0.658,69 1.769,70 34.356,71 9.884,72 66.299,73 13.298,74 0.79,75 1.823,76 40.26,77 12.133,78 88.3,79 16.79,80 0.795,81 1.794,82 37.755,83 11.358,84 84.998,85 17.173,86 0.649,87 1.741,88 35.665,89 10.539,90 57.316,91 15.672,92 0.705,93 1.676,94 32.199,95 8.92,96 65.513,97 13.407,98 0.495,99 1.641,100 31.728,101 9.211,102 49.328,103 13.503,104 41,105 53,106 0.284,107 0.622,108 0.807,109 0.846,110 0.846,111 0.846,112 3.561,113 1.012,114 -3.37,115 -3.35,116 -3.21,119 34.4,120 1,124 2,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 7,175 9,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 3,212 4,215 1,217 1,220 3,222 1,223 3,224 6,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 4,237 7,245 1,249 1,250 6,252 1,253 1,255 1,258 1,260 1,262 8,263 6,265 1,266 2,268 1,271 1,273 1,275 2456,276 22.408,277 22.408,278 22.408,279 22.408,280 22.408,281 19.868,282 33.532,283 12.969,284 23.246,285 18.233,286 18.233,287 18.233,288 18.233,289 18.233,290 14.288,291 48.841,292 6.151,293 19.538,294 4.162,295 2.056,296 0.902,297 0.66,298 0.66,299 0.66,300 4.252,305 1,306 925,307 3.742,311 481.4,318 1.995,319 41.352,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 75.5,331 435,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.51,338 0.916,339 11.657,340 3.077,341 4.452,342 3.18,343 6.547,344 4.052,345 3.093,346 4.145,347 0.86,348 10.402,349 2.97,350 4.068,351 2.969,352 5.62,353 3.615,354 2.684,355 3.674,356 0.4,357 7.745,358 2.508,359 3.989,360 2.876,361 5.56,362 3.58,363 2.636,364 3.586,365 0.4,366 7.614,367 2.486,368 3.694,369 2.727,370 5.417,371 3.417,372 2.494,373 2.967,374 0.172,375 7.114,376 2.299,377 3.471,378 2.501,379 5.15,380 3.122,381 2.192,382 2.75,384 6.373,385 2.034,386 3.345,387 2.344,388 5.025,389 3.032,390 2.079,391 2.481,393 6.006,394 1.963,395 3.232,396 2.096,397 4.83,398 2.796,399 1.879,400 2.467,402 5.243,403 1.722,404 3.143,405 2.074,406 4.618,407 2.7,408 1.771,409 2.341,411 4.963,412 1.639,413 2.714,414 1.871,415 4.558,416 2.471,417 1.557,418 1.7,420 4.606,421 1.416,422 2.55,423 1.146,424 3.946,425 2,426 1.058,427 1.575,428 2.926,429 0.994,430 2.5,431 1.137,432 3.414,433 1.967,434 1,435 1.5,436 2.275,437 0.965,438 2,439 1.066,440 3.414,441 1.959,442 1,443 1,445 2.275,446 0.957,447 1.794,448 1,449 3.17,450 1.496,451 0.625,452 0.703,454 1.255,455 0.54,456 1.525,457 0.669,458 2.983,459 1.246,460 0.33,461 0.378,463 0.68,464 0.301,465 15.933,466 0.469,467 1.051,468 0.031,469 46.5,470 1.368,471 22.5,472 0.662,473 24,474 0.706,475 29.255,476 0.86,477 38.067,478 0.624,479 38.423,480 1.13,481 9.051,482 0.266,483 7.156,484 0.21,485 0.161,486 0.052,487 0.301,493 0.766,494 1.74,495 0.81,496 1.397,497 0.762,498 1.05,499 0.855,500 1.015,501 0.938,502 0.926,503 0.514,504 0.812,505 1.259,506 1.154,507 1.221,508 1.098,509 1.158,510 1.054,511 1.003,512 1.016,513 1.093,514 1.111,515 1.142,516 1.103,517 0.803,518 1.038,519 0.771,520 0.854,521 1.01,522 0.974,523 0.632,524 0.964,525 0.824,526 0.905,527 0.454,528 0.926,529 1.003,530 0.992,531 0.897,532 0.818,533 0.893,534 0.949,535 0.876,536 1.292,537 0.984,538 1.165,539 0.678,540 1.111,541 9.5,542 0.322,543 3.556,544 2.25,545 1.911,546 1.167,547 0.872,548 0.681,549 0.477,550 0.416,551 16413,552 51328,553 2.035,554 44.3,556 19,558 2,559 3,560 3,564 1.764,565 1.88,566 3.601,567 0.957,569 1,573 107.87,574 1.768,575 3.874,576 5.029,577 5.271,578 5.271,579 5.271,580 3.076,581 4.337,582 5.053,583 3.821,584 2143.34,585 8.887,586 33123.4,591 361.775,592 1.611,593 4.999,594 0.257,595 0.009,596 0.067,597 0.042,598 0.039,599 0.024,600 0.018,601 0.014,602 0.01,603 0.009,604 0.49,605 0.33,606 0.75,607 0.832,608 182.446,609 -0.008,610 -0.419,611 0.19,612 -0.185,613 -0.156,614 -0.037,615 0.181,616 0.129,617 0.066,618 0.105,619 0.324,620 0.136,621 -0.27,622 -0.024,623 -0.229,624 -0.058,625 -0.162,626 -0.094,627 -0.078,628 -0.005,629 -0.142,630 -0.1,631 -0.105,632 -0.101,633 0.016,634 -0.089,635 0.039,636 0.033,637 -0.091,638 0.023,639 0.064,640 0.053,641 0.056,642 0.027,643 0.04,644 0.069,645 -0.132,646 0.056,647 -0.057,648 0.059,649 -0.119,650 -0.006,651 -0.079,652 -0.21,653 -0.071,654 -0.182,655 -0.011,656 -0.13,657 4.091,658 4.781,659 0.706,660 40.028,661 1.015,662 1.144,663 2.14,664 4.581,665 0.654,666 3.638,667 3.989,668 4.19,669 4.431,670 4.682,671 4.779,672 4.905,673 5.05,674 5.176,675 5.303,676 7.638,677 0.627,678 485.64,679 3.638,680 5.198,681 6.033,682 6.917,683 7.769,684 8.653,685 9.513,686 10.399,687 11.263,688 12.149,689 14.8,692 2,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 61,733 20,735 37,737 64,738 21,739 13,746 4,747 4,752 1,761 13,762 8,766 2,769 1,771 2,781 27,782 12,783 3,784 13,785 1,790 9,794 1,795 3,805 2,812 4,836 1,840 4,842 1,844 3,848 34,849 1,852 1,854 5,855 1,856 1,859 2,870 4.9,873 2,875 1,877 18.083,878 11.817,879 7.306,880 3.317,881 3.017,882 1.384,883 0.981,884 7.24,885 10.867,886 3.892,887 4.516,888 4.958,889 5.494,890 6.05,891 6.281,892 6.659,893 7.085,894 7.471,895 7.799,896 0.889,897 53,898 12.68,900 5.486,901 7.875,902 23.704,904 19.207,905 2.375,906 80.75,910 282.506,911 112.584,912 139.478,914 55.313,916 5.807,917 106.776,918 337.819,919 139.478,920 26.899,921 10.529,922 67.133,923 151.783,924 65.532,925 9.042,926 258.964,928 282.506,929 246.255,930 55.313,931 5.807,933 287.162,934 55.313,937 62.001,938 95.67,939 89.735,941 282.506,942 194.791,943 112.584,945 5.807,946 282.506,947 33.354,948 78.065,949 18.011,950 172.138,951 282.506,952 194.791,953 112.584,955 0.591,956 0.327,957 0.167,958 0.093,959 25,960 12,961 0.109,962 7,964 1,965 4.395,966 316.459,968 24,969 166.974,973 1,974 24.236,975 10.157,976 6.172,978 194.791,979 8.968,980 21.673,984 4.415,986 50.908,987 589.881,988 48,991 -3.174,993 23.562,999 61.927,1000 69.77,1001 0.298,1002 0.653,1003 0.848,1004 0.889,1005 0.889,1006 0.889,1007 5.15,1008 1.879,1009 6.057,1010 6.006,1011 4.673,1012 5.204,1013 1.531,1014 6.876,1015 4.542,1016 6.385,1017 1.771,1018 7.629,1019 5.243,1020 4.443,1021 5.263,1022 0.325,1023 7.947,1024 4.241,1025 7.725,1026 1.557,1027 9.304,1028 4.963,1029 6.326,1030 7.462,1031 1.148,1032 10.936,1033 6.072,1034 9.1,1035 1.058,1036 11.043,1037 4.606,1038 6.847,1039 8.276,1040 0.393,1041 12.815,1042 6.523,1043 10.507,1044 1,1045 12.824,1046 2.926,1047 8.27,1048 10.037,1049 0.928,1050 15.404,1051 7.895,1052 11.936,1053 1,1054 14.636,1055 2.275,1056 9.133,1057 11.187,1058 0.384,1059 17.618,1060 8.69,1061 13.383,1062 0.625,1063 16.474,1064 2.275,1065 10.384,1066 12.782,1067 0.765,1068 20.09,1069 9.887,1070 3.314,1071 0.33,1072 18.332,1073 1.255,1074 11.41,1075 14.095,1076 0.351,1077 22.439,1078 10.845,1079 3.093,1080 11.657,1081 20.207,1082 0.68,1083 12.599,1084 15.62,1085 0.634,1086 24.879,1087 11.975,1088 2.684,1089 10.402,1090 22.096,1091 4.51,1092 13.701,1093 17.016,1094 0.312,1095 27.281,1096 13.01,1097 2.636,1098 7.745,1099 23.996,1100 4.145,1101 14.872,1102 18.513,1103 0.525,1104 29.715,1105 14.118,1106 2.494,1107 7.614,1108 25.906,1109 3.674,1110 16.011,1111 19.951,1112 0.273,1113 32.139,1114 15.19,1115 2.192,1116 7.114,1117 27.823,1118 3.586,1119 17.18,1120 21.439,1121 0.433,1122 34.575,1123 16.292,1124 2.079,1125 6.373,1126 29.747,1127 2.967,1128 18.338,1129 22.9,1130 0.236,1131 37.008,1132 17.382,1133 15872,1134 28241,1135 24.156,1136 39.915,1137 55.521,1138 57.095,1139 56.779,1140 55.43,1141 55.425,1142 71.556,1143 5.498,1144 162.268,1145 51.739,1146 5.743,1147 6.375,1148 6.664,1149 5.348,1150 5.314,1151 7.51,1152 1.776,1153 18.546,1154 5.028,1155 19.829,1156 1.501,1157 1.543,1158 1.535,1159 1.498,1160 1.498,1161 1.934,1162 0.149,1163 4.386,1164 1.398,1165 4.05,1166 4.079,1167 4.722,1168 3.969,1169 7.716,1170 3.911,1171 3.971,1172 3.982,1173 3.975,1174 3.867,1175 6.999,1176 3.816,1177 3.845,1178 3.886,1179 3.802,1180 3.713,1181 5.259,1182 3.726,1183 3.744,1184 3.794,1185 3.703,1186 3.544,1187 5,1188 3.568,1189 3.606,1190 3.645,1191 3.556,1192 3.435,1193 4.859,1194 3.42,1195 3.284,1196 3.345,1197 3.154,1198 3.046,1199 4.669,1200 3.057,1201 3.178,1202 3.28,1203 3.004,1204 2.961,1205 4.412,1206 2.962,1207 3.126,1208 3.212,1209 2.975,1210 2.941,1211 4.306,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.122,1220 4.375,1221 0.025,1222 7.111,1223 0.315,1224 4.248,1225 0.083,1226 3.314,1227 4.51,1228 0.916,1229 11.657,1230 3.077,1231 1.929,1232 1.894,1233 2.022,1234 2.087,1235 1.339,1236 2.087,1237 1.839,1238 1.83,1239 1.935,1240 2.02,1241 1.104,1242 2.023,1243 1.783,1244 1.753,1245 1.873,1246 1.951,1247 0.947,1248 1.93,1249 1.642,1250 1.592,1251 1.765,1252 1.847,1253 0.898,1254 1.847,1255 1.516,1256 1.48,1257 1.591,1258 1.703,1259 0.825,1260 1.741,1261 1.219,1262 1.153,1263 1.57,1264 1.524,1265 0.785,1266 1.538,1267 1.165,1268 1.082,1269 1.513,1270 1.443,1271 0.617,1272 1.464,1273 1.153,1274 1.064,1275 1.458,1276 1.376,1277 0.57,1278 1.429,1279 4.317,1281 5.659,1283 7.183,1285 8.786,1287 10.43,1289 4.55,1293 5.878,1295 2.815,1296 3.257,1297 5.116,1300 3.69,1305 38.265,1306 107.87,1307 236.335,1308 306.755,1309 321.51,1310 321.51,1311 321.51,1312 67.043,1313 7.85,1314 152.35,1315 160.73,1316 24,1317 12.685,1318 4.392,1319 3.585,1320 56.677,1321 147,1322 178,1323 0.177,1324 240.558,1325 409.84,1326 578.721,1327 26865,1329 24.294,1330 0.715,1331 0.591,1332 24.544,1333 20.08,1334 16.207,1335 0.438,1336 0.337,1337 10.561,1338 14.554,1339 10.076,1340 8.368,1341 17.101,1342 12.479,1343 15.631,1344 0.295,1345 0.188,1346 17.018,1347 9.939,1348 11.895,1349 0.183,1350 0.103,1351 12.652,1352 6.668,1353 9.841,1354 0.119,1355 0.054,1356 10.357,1357 4.503,1358 7.89,1359 0.074,1360 0.028,1361 8.258,1362 3.006,1363 0.279,1364 112.295,1365 0.203,1366 31.479,1367 0.487,1368 180,1369 587.228,1370 238.016,1371 582.615,1372 789.52,1373 540,1374 208,1375 559.142,1376 272.06,1377 597.697,1378 861.03,1379 555,1380 8.046}
{0 CHEMBL2165018,1 1.752,2 13.639,3 1.328,4 1.763,5 134.679,6 7.798,7 0.462,8 4.303,9 4.432,10 4.024,11 3.737,12 5.392,13 3.733,14 4.86,15 5.065,16 4.345,17 4.116,18 6.085,19 4.091,20 5.03,21 5.213,22 4.38,23 4.317,24 6.139,25 4.256,26 5.252,27 5.487,28 4.28,29 4.333,30 6.356,31 4.26,32 5.137,33 5.366,34 4.234,35 4.328,36 6.178,37 4.241,38 5.18,39 5.445,40 4.223,41 4.317,42 6.117,43 4.208,44 5.138,45 5.414,46 4.196,47 4.22,48 6.107,49 4.14,50 4.946,51 5.152,52 4.215,53 4.175,54 6.033,55 4.114,56 0.168,57 1.082,58 16.784,59 4.895,60 21.061,61 7.107,62 0.897,63 1.607,64 29.912,65 8.293,66 72.346,67 11.824,68 0.532,69 1.92,70 41.177,71 11.688,72 50.29,73 15.324,74 1.188,75 1.962,76 49.596,77 12.622,78 136.66,79 18.02,80 0.784,81 1.937,82 37.826,83 11.78,84 78.36,85 17.833,86 0.689,87 1.957,88 43.184,89 13.008,90 65.367,91 19.838,92 0.895,93 1.812,94 41.922,95 10.216,96 76.948,97 16.54,98 0.458,99 1.703,100 32.011,101 9.331,102 46.745,103 13.973,104 55,105 56,106 0.277,107 0.604,108 0.794,109 0.829,110 0.829,111 0.829,112 3.616,113 0.977,114 -4.1,115 -4.04,116 -3.83,119 33.3,120 1,124 3,125 5,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 10,175 9,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 4,212 4,215 1,217 1,220 3,222 1,223 3,224 6,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 4,237 8,245 1,249 1,250 7,252 1,253 1,255 1,258 1,260 1,262 9,263 7,265 1,266 2,268 1,271 1,273 1,275 2794,276 23.692,277 23.692,278 23.692,279 23.692,280 23.692,281 21.213,282 37.249,283 13.618,284 24.499,285 19.157,286 19.157,287 19.157,288 19.157,289 19.157,290 15.227,291 57.089,292 6.39,293 20.386,294 4.292,295 2.225,296 1.027,297 0.803,298 0.803,299 0.803,300 4.305,306 1039,307 4.123,311 520.168,318 2.103,319 44.031,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.5,328 0.5,329 0.59,330 80,331 491,332 4.872,333 3.569,334 7.616,335 4.464,336 3.482,337 4.622,338 0.916,339 13.28,340 3.418,341 4.452,342 3.178,343 6.547,344 4.052,345 3.093,346 4.145,347 0.86,348 10.402,349 2.97,350 4.068,351 2.951,352 5.624,353 3.616,354 2.685,355 3.674,356 0.4,357 7.752,358 2.508,359 3.989,360 2.876,361 5.578,362 3.587,363 2.643,364 3.586,365 0.4,366 7.624,367 2.494,368 3.696,369 2.724,370 5.429,371 3.428,372 2.504,373 2.968,374 0.4,375 7.121,376 2.31,377 3.473,378 2.476,379 5.322,380 3.143,381 2.205,382 2.75,383 0.172,384 6.395,385 2.069,386 3.358,387 2.317,388 5.144,389 3.053,390 2.106,391 2.481,393 6.124,394 1.973,395 3.232,396 2.094,397 4.959,398 2.797,399 1.879,400 2.474,402 5.333,403 1.722,404 3.147,405 2.074,406 4.826,407 2.74,408 1.819,409 2.349,411 5.185,412 1.672,413 2.821,414 1.872,415 4.618,416 2.664,417 1.733,418 1.826,420 4.963,421 1.608,422 2.55,423 1.397,424 3.948,425 2.081,426 1.145,427 1.575,428 2.929,429 1.069,430 2.5,431 1.146,432 3.851,433 2,434 1.058,435 1.5,436 2.749,437 0.994,438 2.42,439 1.136,440 3.414,441 1.967,442 1,443 1.333,445 2.275,446 0.965,447 2,448 1.066,449 3.414,450 1.959,451 1,452 1,454 2.275,455 0.957,456 1.794,457 1,458 3.16,459 1.495,460 0.624,461 0.703,463 1.251,464 0.539,465 16.833,466 0.468,467 1.108,468 0.031,469 48,470 1.333,471 22.5,472 0.625,473 25.5,474 0.708,475 32.231,476 0.895,477 40.767,478 0.618,479 41.776,480 1.16,481 9.479,482 0.263,483 7.671,484 0.213,485 0.182,486 0.05,487 0.309,493 0.771,494 1.875,495 0.807,496 1.486,497 0.766,498 1.097,499 0.833,500 0.841,501 0.776,502 0.681,503 0.53,504 0.71,505 1.083,506 1.425,507 1.518,508 1.557,509 0.872,510 1.201,511 1.491,512 0.849,513 1.147,514 0.893,515 1.91,516 0.946,517 0.85,518 1.101,519 0.877,520 0.97,521 1.056,522 1.108,523 0.534,524 1.042,525 0.807,526 1.006,527 0.414,528 1.018,529 0.96,530 0.814,531 0.799,532 0.647,533 0.795,534 0.768,535 0.904,536 1.414,537 1.043,538 1.283,539 0.715,540 1.216,541 10,542 0.338,543 4.444,544 2.5,545 2.071,546 1.222,547 0.993,548 0.681,549 0.526,550 0.436,551 19187,552 58310,553 2.017,554 45.5,556 22,558 2,559 3,560 3,564 1.777,565 1.854,566 3.691,567 0.938,573 115.642,574 1.752,575 3.82,576 5.018,577 5.241,578 5.241,579 5.241,580 3.218,581 4.295,582 5.137,583 3.906,584 2460.72,585 9.048,586 39840.4,591 398.93,592 1.637,593 5.076,594 0.256,595 0.008,596 0.079,597 0.042,598 0.039,599 0.024,600 0.019,601 0.014,602 0.011,603 0.009,604 0.502,605 0.33,606 0.75,607 0.978,608 197.155,609 0.009,610 -0.525,611 0.202,612 -0.258,613 -0.155,614 -0.064,615 0.247,616 0.3,617 0.193,618 0.295,619 0.31,620 0.224,621 -0.175,622 -0.204,623 -0.284,624 -0.277,625 0.004,626 -0.174,627 -0.254,628 0.109,629 -0.159,630 0.066,631 -0.272,632 0.011,633 -0.028,634 -0.071,635 -0.09,636 -0.051,637 -0.126,638 -0.111,639 0.112,640 -0.062,641 0.068,642 -0.05,643 0.064,644 0.007,645 -0.091,646 0.142,647 0.084,648 0.207,649 -0.053,650 0.184,651 -0.1,652 -0.276,653 -0.135,654 -0.264,655 -0.029,656 -0.224,657 4.332,658 5.406,659 0.667,660 44.324,661 1.014,662 1.147,663 2.866,664 8.214,665 0.647,666 3.689,667 4.043,668 4.277,669 4.477,670 4.718,671 4.812,672 4.963,673 5.1,674 5.22,675 5.342,676 8.062,677 0.618,678 514.69,679 3.689,680 5.252,681 6.098,682 6.98,683 7.843,684 8.727,685 9.597,686 10.483,687 11.356,688 12.242,689 15.2,692 3,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 66,733 20,735 39,737 69,738 22,739 13,746 4,747 4,752 1,761 13,762 9,766 2,769 1,771 2,781 30,782 13,783 3,784 14,785 1,790 10,794 1,795 3,805 2,812 4,836 1,840 4,842 1,844 4,848 36,849 1,852 1,854 5,855 1,856 1,859 3,870 4.5,873 2,875 1,877 19.417,878 13.017,879 7.806,880 3.583,881 2.957,882 1.371,883 0.973,884 7.978,885 10.928,886 3.932,887 4.549,888 5.026,889 5.51,890 6.06,891 6.289,892 6.67,893 7.092,894 7.478,895 7.806,896 1,897 59,898 13.467,900 5.82,901 7.854,902 25.119,904 20.207,905 2.354,906 84.75,910 317.82,911 121.947,912 140.997,914 55.313,916 5.569,917 116.378,918 373.133,919 140.997,920 36.501,921 10.529,922 66.895,923 151.783,924 67.051,925 9.042,926 294.278,928 317.82,929 257.375,930 55.313,931 5.569,933 322.476,934 55.313,937 63.52,938 105.272,939 89.497,941 317.82,942 196.31,943 121.947,945 5.569,946 317.82,947 33.354,948 89.186,949 18.011,950 172.138,951 317.82,952 196.31,953 121.947,955 0.593,956 0.343,957 0.167,958 0.091,959 26,960 13,961 0.116,962 8,964 1,965 4.518,966 342.038,968 24,969 178.117,973 1,974 26.137,975 10.989,976 6.263,978 196.31,979 8.968,980 21.73,984 4.38,986 50.908,987 636.077,988 50,991 -3.415,993 24.812,999 66.912,1000 75.683,1001 0.29,1002 0.632,1003 0.83,1004 0.867,1005 0.867,1006 0.867,1007 5.196,1008 1.879,1009 6.125,1010 6.124,1011 4.727,1012 5.236,1013 1.598,1014 6.967,1015 4.614,1016 6.428,1017 1.819,1018 7.718,1019 5.333,1020 4.511,1021 5.293,1022 0.325,1023 8.136,1024 4.379,1025 7.77,1026 1.733,1027 9.423,1028 5.185,1029 6.399,1030 7.495,1031 1.165,1032 11.175,1033 6.204,1034 9.152,1035 1.145,1036 11.198,1037 4.963,1038 6.967,1039 8.335,1040 0.393,1041 13.225,1042 6.774,1043 10.569,1044 1.058,1045 13.024,1046 2.929,1047 8.395,1048 10.096,1049 0.931,1050 15.896,1051 8.156,1052 12.013,1053 1,1054 14.891,1055 2.749,1056 9.319,1057 11.281,1058 0.384,1059 18.289,1060 9.085,1061 13.478,1062 1,1063 16.789,1064 2.275,1065 10.59,1066 12.881,1067 0.766,1068 20.876,1069 10.325,1070 3.482,1071 0.624,1072 18.714,1073 2.275,1074 11.677,1075 14.23,1076 0.351,1077 23.389,1078 11.414,1079 3.093,1080 13.28,1081 20.66,1082 1.251,1083 12.901,1084 15.768,1085 0.634,1086 25.963,1087 12.617,1088 2.685,1089 10.402,1090 22.623,1091 4.622,1092 14.062,1093 17.196,1094 0.312,1095 28.517,1096 13.774,1097 2.643,1098 7.752,1099 24.599,1100 4.145,1101 15.277,1102 18.712,1103 0.525,1104 31.092,1105 14.974,1106 2.504,1107 7.624,1108 26.587,1109 3.674,1110 16.474,1111 20.182,1112 0.273,1113 33.663,1114 16.162,1115 2.205,1116 7.121,1117 28.583,1118 3.586,1119 17.693,1120 21.692,1121 0.433,1122 36.241,1123 17.367,1124 2.106,1125 6.395,1126 30.586,1127 2.968,1128 18.908,1129 23.183,1130 0.236,1131 38.819,1132 18.571,1133 18632,1134 32665,1135 25.255,1136 42.682,1137 58.765,1138 59.229,1139 60.911,1140 58.546,1141 58.606,1142 74.721,1143 6.298,1144 172.657,1145 55.133,1146 5.872,1147 5.569,1148 7.169,1149 5.564,1150 5.482,1151 7.622,1152 1.776,1153 20.912,1154 5.369,1155 22.19,1156 1.507,1157 1.519,1158 1.562,1159 1.501,1160 1.503,1161 1.916,1162 0.161,1163 4.427,1164 1.414,1165 4.056,1166 4.084,1167 4.727,1168 3.943,1169 7.715,1170 3.91,1171 3.974,1172 3.991,1173 3.975,1174 3.859,1175 6.999,1176 3.805,1177 3.845,1178 3.886,1179 3.802,1180 3.713,1181 5.259,1182 3.726,1183 3.748,1184 3.804,1185 3.704,1186 3.544,1187 5,1188 3.569,1189 3.623,1190 3.683,1191 3.558,1192 3.435,1193 4.859,1194 3.428,1195 3.297,1196 3.365,1197 3.161,1198 3.064,1199 4.669,1200 3.072,1201 3.232,1202 3.3,1203 3.089,1204 2.978,1205 4.413,1206 2.976,1207 3.171,1208 3.275,1209 3,1210 2.951,1211 4.314,1212 2.931,1213 0.125,1214 0.092,1215 0.195,1216 0.114,1217 0.089,1218 4.872,1219 0.119,1220 3.569,1221 0.023,1222 7.616,1223 0.341,1224 4.464,1225 0.088,1226 3.482,1227 4.622,1228 0.916,1229 13.28,1230 3.418,1231 1.929,1232 1.892,1233 2.022,1234 2.088,1235 1.334,1236 2.087,1237 1.831,1238 1.811,1239 1.934,1240 2.025,1241 1.1,1242 2.024,1243 1.782,1244 1.752,1245 1.873,1246 1.952,1247 0.946,1248 1.931,1249 1.643,1250 1.59,1251 1.768,1252 1.863,1253 0.91,1254 1.863,1255 1.543,1256 1.488,1257 1.747,1258 1.775,1259 0.825,1260 1.779,1261 1.231,1262 1.163,1263 1.571,1264 1.53,1265 0.789,1266 1.542,1267 1.179,1268 1.104,1269 1.513,1270 1.448,1271 0.636,1272 1.473,1273 1.153,1274 1.064,1275 1.461,1276 1.424,1277 0.572,1278 1.441,1279 4.369,1281 5.714,1283 7.248,1285 8.864,1287 10.521,1289 6.396,1293 5.896,1295 2.664,1296 3.263,1297 5.125,1300 4.931,1305 40.813,1306 115.642,1307 252.093,1308 331.156,1309 345.91,1310 345.91,1311 345.91,1312 75.04,1313 7.971,1314 155.59,1315 163.97,1316 24,1317 12.776,1318 4.392,1319 3.585,1320 61.988,1321 167,1322 194,1323 0.173,1324 256.944,1325 438.14,1326 618.704,1327 31359,1329 25.872,1330 0.719,1331 0.598,1332 26.122,1333 21.527,1334 17.15,1335 0.44,1336 0.326,1337 11.153,1338 15.327,1339 10.662,1340 8.897,1341 17.939,1342 12.696,1343 16.241,1344 0.29,1345 0.19,1346 17.644,1347 10.626,1348 13.211,1349 0.186,1350 0.107,1351 14.625,1352 7.624,1353 10.19,1354 0.117,1355 0.056,1356 10.882,1357 4.893,1358 8.153,1359 0.073,1360 0.03,1361 8.652,1362 3.36,1363 0.273,1364 117.62,1365 0.199,1366 33.033,1367 0.469,1368 190,1369 616.873,1370 257.055,1371 610.487,1372 831.5,1373 566,1374 222,1375 588.747,1376 295.063,1377 634.884,1378 921.19,1379 589,1380 7.77}
{0 CHEMBL2165019,1 1.737,2 12.794,3 1.25,4 1.563,5 126.891,6 7.817,7 0.486,8 4.235,9 4.357,10 3.955,11 3.736,12 5.32,13 3.709,14 4.791,15 4.974,16 4.242,17 4.112,18 6.011,19 4.072,20 5.022,21 5.219,22 4.265,23 4.272,24 6.102,25 4.205,26 5.131,27 5.368,28 4.195,29 4.285,30 6.165,31 4.189,32 5.096,33 5.343,34 4.152,35 4.249,36 6.123,37 4.154,38 5.02,39 5.274,40 4.16,41 4.203,42 6.008,43 4.116,44 4.971,45 5.203,46 4.151,47 4.168,48 6.019,49 4.098,50 4.945,51 5.168,52 4.169,53 4.153,54 6.013,55 4.083,56 0.13,57 1.011,58 15.17,59 5.559,60 20.971,61 7.024,62 0.59,63 1.544,64 29.483,65 9.47,66 74.013,67 12.242,68 0.589,69 1.836,70 36.733,71 11.213,72 75.588,73 15.002,74 0.781,75 1.892,76 42.99,77 12.811,78 89.449,79 17.878,80 0.72,81 1.829,82 37.861,83 11.772,84 82.966,85 17.59,86 0.612,87 1.784,88 36.546,89 11.031,90 57.126,91 16.268,92 0.622,93 1.716,94 32.62,95 9.424,96 64.318,97 14.018,98 0.466,99 1.691,100 33.142,101 9.708,102 50.597,103 14.168,104 41,105 53,106 0.278,107 0.625,108 0.832,109 0.849,110 0.849,111 0.849,112 3.561,113 1.04,114 -4.31,115 -4.24,116 -4,119 35.5,120 1,121 2,124 2,125 3,127 1,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 5,175 11,177 2,178 3,180 2,183 2,187 10,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 4,209 2,211 3,212 3,215 1,217 1,220 5,222 1,223 3,224 7,226 1,227 3,228 1,229 2,231 1,232 5,234 1,236 3,237 6,245 1,249 1,250 10,252 1,253 1,255 3,258 1,260 1,262 6,263 6,265 1,266 1,268 1,271 1,273 1,275 2456,276 22.408,277 22.408,278 22.408,279 22.408,280 22.408,281 19.868,282 32.767,283 12.969,284 23.344,285 18.233,286 18.233,287 18.233,288 18.233,289 18.233,290 14.288,291 45.593,292 6.151,293 19.715,294 4.217,295 2.051,296 0.758,297 0.649,298 0.649,299 0.649,300 4.252,305 1,306 925,307 3.742,311 481.4,318 1.995,319 41.824,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 75,331 435,332 4.743,333 5.18,334 7.111,335 4.178,336 3.314,337 4.51,338 2.95,339 11.657,340 2.971,341 4.452,342 3.18,343 6.547,344 4.052,345 3.093,346 4.145,347 0.916,348 10.402,349 2.832,350 4.068,351 2.966,352 5.62,353 3.615,354 2.684,355 3.674,356 0.86,357 7.745,358 2.508,359 3.989,360 2.876,361 5.56,362 3.58,363 2.636,364 3.586,365 0.4,366 7.614,367 2.482,368 3.694,369 2.731,370 5.417,371 3.417,372 2.494,373 2.967,374 0.172,375 7.114,376 2.298,377 3.471,378 2.609,379 5.15,380 3.124,381 2.192,382 2.75,384 6.373,385 2.042,386 3.345,387 2.424,388 5.025,389 3.035,390 2.079,391 2.481,393 6.006,394 1.967,395 3.232,396 2.212,397 4.83,398 2.796,399 1.879,400 2.467,402 5.243,403 1.722,404 3.143,405 2.084,406 4.618,407 2.702,408 1.771,409 2.341,411 4.963,412 1.642,413 2.714,414 1.873,415 4.558,416 2.512,417 1.557,418 1.7,420 4.606,421 1.476,422 2.55,423 1.14,424 3.946,425 2,426 1.058,427 1.575,428 2.926,429 0.994,430 2.5,431 1.077,432 3.414,433 1.984,434 1,435 1.5,436 2.275,437 0.983,438 2,439 1.066,440 3.414,441 1.959,442 1,443 1,445 2.275,446 0.957,447 1.794,448 1,449 3.17,450 1.496,451 0.625,452 0.703,454 1.255,455 0.54,456 1.525,457 0.958,458 2.983,459 1.245,460 0.33,461 0.378,463 0.68,464 0.3,465 16.033,466 0.472,467 1.051,468 0.031,469 46,470 1.353,471 22.5,472 0.662,473 23.5,474 0.691,475 30.463,476 0.896,477 37.967,478 0.612,479 37.215,480 1.095,481 8.655,482 0.255,483 7.552,484 0.222,485 0.16,486 0.052,487 0.306,493 0.75,494 1.587,495 0.835,496 1.31,497 0.75,498 1.032,499 0.838,500 1.047,501 1.018,502 1.06,503 0.539,504 0.891,505 1.24,506 1.219,507 1.189,508 1.141,509 1.255,510 1.091,511 1.003,512 0.962,513 1.058,514 1.037,515 1.097,516 1.035,517 0.799,518 1.053,519 0.773,520 0.863,521 1.009,522 0.978,523 0.63,524 0.926,525 0.821,526 0.875,527 0.452,528 0.902,529 1.002,530 1.035,531 0.902,532 0.846,533 0.893,534 0.968,535 0.887,536 1.238,537 0.984,538 1.118,539 0.675,540 1.078,541 9.5,542 0.322,543 3.556,544 2.25,545 1.911,546 1.167,547 0.872,548 0.681,549 0.477,550 0.416,551 16413,552 49512,553 2.035,554 45.2,556 16,558 2,559 3,560 3,562 4,564 1.764,565 1.88,566 3.601,567 0.928,569 1,573 107.692,574 1.737,575 3.903,576 5.196,577 5.305,578 5.305,579 5.305,580 3.076,581 4.337,582 5.053,583 3.821,584 2143.34,585 8.887,586 33123.4,591 369.16,592 1.611,593 4.999,594 0.257,595 0.009,596 0.067,597 0.042,598 0.039,599 0.024,600 0.018,601 0.014,602 0.01,603 0.009,604 0.49,605 0.17,606 0.75,607 0.832,608 182.446,609 -0.006,610 -0.282,611 0.174,612 -0.097,613 -0.14,614 -0.006,615 0.149,616 0.102,617 0.03,618 0.039,619 0.297,620 0.094,621 -0.233,622 -0.125,623 -0.197,624 -0.1,625 -0.161,626 -0.115,627 -0.062,628 0.029,629 -0.098,630 -0.052,631 -0.084,632 -0.044,633 0.027,634 -0.094,635 0.034,636 0.021,637 -0.087,638 0.01,639 0.07,640 0.095,641 0.062,642 0.048,643 0.04,644 0.084,645 -0.131,646 0.024,647 -0.062,648 0.035,649 -0.118,650 -0.025,651 -0.076,652 -0.159,653 -0.064,654 -0.149,655 -0.009,656 -0.106,657 3.924,658 4.855,659 0.706,660 40.028,661 1.011,662 1.14,663 3.076,664 9.462,665 0.656,666 3.638,667 3.989,668 4.19,669 4.431,670 4.682,671 4.779,672 4.905,673 5.05,674 5.176,675 5.303,676 7.638,677 0.625,678 484.65,679 3.638,680 5.198,681 6.033,682 6.917,683 7.769,684 8.653,685 9.513,686 10.399,687 11.263,688 12.149,689 12.9,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 62,733 20,735 37,737 65,738 22,739 13,746 4,747 4,752 1,755 3,758 3,761 13,762 9,766 2,769 1,771 2,781 28,782 11,783 3,784 12,785 1,790 8,794 1,795 3,805 2,812 4,836 1,840 4,842 1,844 3,848 34,849 1,851 1,854 5,855 1,856 1,858 1,859 1,870 4.8,873 2,875 1,877 18.083,878 11.95,879 7.306,880 3.472,881 3.017,882 1.384,883 0.974,884 7.269,885 10.867,886 3.892,887 4.516,888 4.958,889 5.494,890 6.05,891 6.281,892 6.659,893 7.085,894 7.471,895 7.799,896 0.889,897 53,898 12.692,900 5.523,901 7.855,902 23.863,904 19.632,905 2.355,906 80.083,910 294.278,911 113.68,912 137.96,914 55.313,916 6.046,917 107.634,918 349.59,919 137.96,920 26.899,921 11.386,922 67.372,923 151.783,924 64.014,925 9.042,926 270.735,928 294.278,929 245.594,930 55.313,931 6.046,933 251.849,934 102.397,937 61.34,938 95.67,939 89.974,941 294.278,942 193.273,943 113.68,945 6.046,946 294.278,947 34.212,948 76.547,949 18.011,950 172.138,951 294.278,952 193.273,953 113.68,955 0.591,956 0.327,957 0.167,958 0.093,959 25,960 12,961 0.108,962 7,964 1,965 4.395,966 316.459,968 24,969 166.974,973 1,974 24.273,975 10.182,976 6.189,978 193.273,979 9.009,980 21.705,984 4.481,986 50.908,987 601.23,988 48,991 -3.008,993 23.71,999 62.709,1000 70.687,1001 0.292,1002 0.656,1003 0.873,1004 0.891,1005 0.891,1006 0.891,1007 5.15,1008 1.879,1009 6.057,1010 6.006,1011 4.673,1012 5.204,1013 3.078,1014 6.876,1015 4.524,1016 6.385,1017 1.771,1018 7.629,1019 5.243,1020 4.443,1021 5.263,1022 0.325,1023 7.947,1024 4.167,1025 7.725,1026 1.557,1027 9.304,1028 4.963,1029 6.326,1030 7.462,1031 5.041,1032 10.936,1033 6.011,1034 9.1,1035 1.058,1036 11.043,1037 4.606,1038 6.847,1039 8.276,1040 0.393,1041 12.815,1042 6.383,1043 10.507,1044 1,1045 12.824,1046 2.926,1047 8.27,1048 10.037,1049 7.186,1050 15.404,1051 7.763,1052 11.936,1053 1,1054 14.636,1055 2.275,1056 9.133,1057 11.187,1058 0.384,1059 17.618,1060 8.476,1061 13.383,1062 0.625,1063 16.474,1064 2.275,1065 10.384,1066 12.782,1067 9.348,1068 20.09,1069 9.667,1070 3.314,1071 0.33,1072 18.332,1073 1.255,1074 11.41,1075 14.095,1076 0.351,1077 22.439,1078 10.552,1079 3.093,1080 11.657,1081 20.207,1082 0.68,1083 12.599,1084 15.62,1085 11.511,1086 24.879,1087 11.661,1088 2.684,1089 10.402,1090 22.096,1091 4.51,1092 13.701,1093 17.016,1094 0.312,1095 27.281,1096 12.634,1097 2.636,1098 7.745,1099 23.996,1100 4.145,1101 14.872,1102 18.513,1103 13.675,1104 29.715,1105 13.71,1106 2.494,1107 7.614,1108 25.906,1109 3.674,1110 16.011,1111 19.951,1112 0.273,1113 32.139,1114 14.728,1115 2.192,1116 7.114,1117 27.823,1118 3.586,1119 17.18,1120 21.439,1121 15.838,1122 34.575,1123 15.794,1124 2.079,1125 6.373,1126 29.747,1127 2.967,1128 18.338,1129 22.9,1130 0.236,1131 37.008,1132 16.835,1133 15872,1134 27731,1135 24.156,1136 40.671,1137 55.521,1138 58.053,1139 56.779,1140 55.5,1141 55.425,1142 71.556,1143 10.598,1144 162.268,1145 51.425,1146 5.743,1147 7.18,1148 6.664,1149 5.278,1150 5.314,1151 7.51,1152 5.9,1153 18.546,1154 4.921,1155 19.829,1156 1.501,1157 1.569,1158 1.535,1159 1.5,1160 1.498,1161 1.934,1162 0.286,1163 4.386,1164 1.39,1165 4.073,1166 4.087,1167 4.729,1168 4.055,1169 7.714,1170 3.946,1171 3.982,1172 3.995,1173 3.975,1174 3.871,1175 6.999,1176 3.866,1177 3.845,1178 3.886,1179 3.802,1180 3.713,1181 5.259,1182 3.727,1183 3.744,1184 3.795,1185 3.705,1186 3.546,1187 5,1188 3.568,1189 3.608,1190 3.645,1191 3.564,1192 3.446,1193 4.859,1194 3.423,1195 3.286,1196 3.347,1197 3.157,1198 3.058,1199 4.669,1200 3.065,1201 3.18,1202 3.28,1203 3.009,1204 2.963,1205 4.412,1206 2.965,1207 3.136,1208 3.221,1209 2.98,1210 2.941,1211 4.283,1212 2.91,1213 0.128,1214 0.14,1215 0.192,1216 0.113,1217 0.09,1218 4.743,1219 0.122,1220 5.18,1221 0.08,1222 7.111,1223 0.315,1224 4.178,1225 0.08,1226 3.314,1227 4.51,1228 2.95,1229 11.657,1230 2.971,1231 1.953,1232 1.945,1233 2.052,1234 2.091,1235 1.485,1236 2.112,1237 1.896,1238 1.875,1239 1.962,1240 2.03,1241 1.134,1242 2.033,1243 1.787,1244 1.755,1245 1.881,1246 1.952,1247 0.961,1248 1.931,1249 1.645,1250 1.592,1251 1.771,1252 1.85,1253 0.907,1254 1.849,1255 1.516,1256 1.482,1257 1.599,1258 1.704,1259 0.825,1260 1.741,1261 1.222,1262 1.158,1263 1.57,1264 1.525,1265 0.785,1266 1.539,1267 1.169,1268 1.089,1269 1.513,1270 1.444,1271 0.636,1272 1.464,1273 1.153,1274 1.064,1275 1.465,1276 1.376,1277 0.572,1278 1.429,1279 4.317,1281 5.659,1283 7.183,1285 8.786,1287 10.43,1289 4.631,1293 5.883,1295 3.323,1296 3.264,1297 5.118,1299 -0.265,1300 2.232,1305 38.771,1306 107.692,1307 241.993,1308 322.141,1309 328.896,1310 328.896,1311 328.896,1312 70.481,1313 7.85,1314 149.11,1315 157.49,1316 24,1317 12.685,1318 4.392,1319 3.585,1320 56.677,1321 147,1322 178,1323 0.177,1324 243.356,1325 416.14,1326 585.548,1327 26865,1329 24.294,1330 0.715,1331 0.594,1332 24.544,1333 20.21,1334 16.207,1335 0.438,1336 0.347,1337 10.835,1338 14.636,1339 10.324,1340 8.575,1341 17.101,1342 12.822,1343 15.631,1344 0.295,1345 0.201,1346 17.018,1347 10.649,1348 11.895,1349 0.183,1350 0.114,1351 12.652,1352 7.387,1353 9.841,1354 0.119,1355 0.06,1356 10.357,1357 5.02,1358 7.89,1359 0.074,1360 0.032,1361 8.258,1362 3.373,1363 0.279,1364 111.742,1365 0.203,1366 31.479,1367 0.487,1368 180,1369 567.583,1370 235.047,1371 566.099,1372 764.36,1373 524,1374 208,1375 539.519,1376 267.671,1377 576.722,1378 828.19,1379 535,1380 7.658}
{0 CHEMBL2165020,1 1.737,2 12.794,3 2.329,4 5.423,5 126.808,6 7.817,7 0.486,8 4.235,9 4.356,10 3.96,11 3.73,12 5.318,13 3.708,14 4.792,15 4.975,16 4.246,17 4.107,18 6.033,19 4.068,20 5.018,21 5.221,22 4.258,23 4.276,24 6.073,25 4.205,26 5.123,27 5.352,28 4.187,29 4.305,30 6.159,31 4.203,32 5.117,33 5.367,34 4.145,35 4.277,36 6.113,37 4.175,38 5.032,39 5.278,40 4.161,41 4.221,42 6.034,43 4.133,44 4.999,45 5.24,46 4.152,47 4.18,48 6.038,49 4.106,50 4.941,51 5.159,52 4.162,53 4.172,54 5.995,55 4.098,56 0.137,57 1.011,58 15.448,59 5.357,60 20.882,61 6.978,62 0.654,63 1.539,64 28.575,65 9.338,66 72.168,67 12.306,68 0.58,69 1.835,70 36.77,71 11.21,72 68.481,73 15.118,74 0.72,75 1.892,76 41.812,77 13.265,78 88.695,79 18.099,80 0.674,81 1.86,82 39.786,83 12.374,84 86.93,85 18.153,86 0.562,87 1.8,88 36.647,89 11.252,90 64.848,91 16.52,92 0.692,93 1.741,94 34.129,95 9.607,96 67.741,97 14.346,98 0.41,99 1.691,100 32.695,101 9.94,102 49.857,103 14.415,104 41,105 53,106 0.278,107 0.625,108 0.832,109 0.849,110 0.849,111 0.849,112 3.561,113 1.034,114 -4.31,115 -4.24,116 -4,119 35.5,120 1,121 3,122 1,124 2,125 2,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 7,174 7,175 10,177 2,178 3,180 2,183 6,187 7,190 1,192 2,195 4,198 2,199 11,201 1,202 3,204 3,207 5,209 2,211 1,212 10,215 1,217 2,220 5,222 1,223 1,224 10,226 1,227 2,228 1,229 3,231 1,232 3,234 1,236 4,237 12,242 3,245 3,247 1,250 6,255 2,258 4,260 2,262 7,263 8,265 1,266 2,268 3,271 6,273 3,275 2456,276 22.408,277 22.408,278 22.408,279 22.408,280 22.408,281 19.868,282 31.031,283 12.969,284 23.136,285 18.233,286 18.233,287 18.233,288 18.233,289 18.233,290 14.288,291 39.583,292 6.151,293 19.361,294 4.217,295 2.051,296 0.758,297 0.649,298 0.649,299 0.649,300 4.252,305 1,306 925,307 3.742,311 481.4,318 1.995,319 41.242,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 75,331 435,332 4.743,333 4.375,334 7.111,335 4.249,336 3.314,337 4.51,338 0.86,339 11.657,340 3.082,341 4.452,342 3.167,343 6.547,344 4.053,345 3.093,346 4.145,347 0.4,348 10.402,349 2.973,350 4.068,351 2.879,352 5.62,353 3.623,354 2.684,355 3.674,356 0.4,357 7.745,358 2.581,359 3.989,360 2.812,361 5.56,362 3.605,363 2.636,364 3.586,366 7.614,367 2.507,368 3.694,369 2.697,370 5.417,371 3.439,372 2.494,373 2.967,375 7.114,376 2.341,377 3.471,378 2.48,379 5.15,380 3.132,381 2.192,382 2.75,384 6.373,385 2.068,386 3.345,387 2.338,388 5.025,389 3.039,390 2.079,391 2.481,393 6.006,394 1.969,395 3.232,396 2.085,397 4.83,398 2.796,399 1.879,400 2.467,402 5.243,403 1.722,404 3.143,405 1.953,406 4.618,407 2.7,408 1.771,409 2.341,411 4.963,412 1.639,413 2.714,414 1.857,415 4.558,416 2.49,417 1.557,418 1.7,420 4.606,421 1.443,422 2.55,423 1.136,424 3.946,425 2,426 1.058,427 1.575,428 2.926,429 0.994,430 2.5,431 1.077,432 3.414,433 1.984,434 1,435 1.5,436 2.275,437 0.983,438 2,439 1.066,440 3.414,441 1.959,442 1,443 1,445 2.275,446 0.957,447 1.794,448 1,449 3.17,450 1.497,451 0.625,452 0.703,454 1.255,455 0.541,456 1.525,457 0.633,458 2.983,459 1.257,460 0.33,461 0.378,463 0.68,464 0.304,465 16.033,466 0.472,467 1.051,468 0.031,469 45.75,470 1.346,471 22.5,472 0.662,473 23.25,474 0.684,475 30.968,476 0.911,477 37.967,478 0.612,479 36.71,480 1.08,481 8.503,482 0.25,483 7.703,484 0.227,485 0.16,486 0.052,487 0.306,493 0.731,494 1.614,495 0.822,496 1.349,497 0.754,498 1.038,499 0.725,500 1.033,501 0.925,502 1.009,503 0.49,504 0.896,505 1.167,506 1.147,507 1.166,508 1.096,509 1.092,510 1.05,511 0.992,512 0.994,513 1.08,514 1.073,515 1.107,516 1.082,517 0.858,518 1.01,519 0.837,520 0.883,521 1.027,522 0.968,523 0.72,524 1.069,525 0.851,526 0.949,527 0.615,528 0.965,529 1.01,530 0.911,531 0.9,532 0.773,533 0.886,534 0.917,535 0.882,536 1.283,537 0.991,538 1.15,539 0.683,540 1.106,541 9.5,542 0.322,543 3.556,544 2.25,545 1.911,546 1.167,547 0.872,548 0.681,549 0.477,550 0.416,551 16413,552 49932,553 2.035,554 45.2,555 3,556 13,558 2,559 3,560 3,561 4,564 1.764,565 1.88,566 3.601,567 0.928,569 1,573 107.692,574 1.737,575 3.903,576 5.196,577 5.305,578 5.305,579 5.305,580 3.076,581 4.337,582 5.053,583 3.821,584 2143.34,585 8.887,586 33123.4,591 369.16,592 1.611,593 4.999,594 0.257,595 0.009,596 0.067,597 0.042,598 0.039,599 0.024,600 0.018,601 0.014,602 0.01,603 0.009,604 0.49,605 0.17,606 0.75,607 0.832,608 182.446,609 0.013,610 -0.309,611 0.188,612 -0.137,613 -0.144,614 -0.012,615 0.262,616 0.107,617 0.069,618 0.051,619 0.344,620 0.082,621 -0.216,622 -0.051,623 -0.175,624 -0.055,625 -0.126,626 -0.07,627 -0.078,628 0.005,629 -0.129,630 -0.069,631 -0.09,632 -0.079,633 -0.05,634 -0.052,635 0.008,636 0.033,637 -0.116,638 0.031,639 0.007,640 -0.055,641 0.025,642 -0.011,643 -0.004,644 0.029,645 -0.128,646 0.135,647 -0.052,648 0.095,649 -0.115,650 0.021,651 -0.104,652 -0.205,653 -0.079,654 -0.162,655 -0.022,656 -0.118,657 4.064,658 4.799,659 0.706,660 40.028,661 1.011,662 1.14,663 3.076,664 9.462,665 0.656,666 3.638,667 3.989,668 4.19,669 4.431,670 4.682,671 4.779,672 4.905,673 5.05,674 5.176,675 5.303,676 7.638,677 0.625,678 484.65,679 3.638,680 5.198,681 6.033,682 6.917,683 7.769,684 8.653,685 9.513,686 10.399,687 11.263,688 12.149,689 12.9,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 62,733 20,735 37,737 65,738 22,739 13,746 4,747 4,752 1,755 2,756 1,758 3,761 13,762 9,763 1,766 2,769 1,771 2,781 28,782 11,783 3,784 12,785 1,790 8,794 1,795 3,805 2,812 4,840 4,842 1,844 3,848 34,849 1,852 1,854 5,855 1,856 1,858 1,859 1,870 4.8,873 2,875 1,877 18.083,878 11.95,879 7.306,880 3.517,881 3.017,882 1.384,883 0.976,884 7.269,885 10.867,886 3.892,887 4.516,888 4.958,889 5.494,890 6.05,891 6.281,892 6.659,893 7.085,894 7.471,895 7.799,896 0.889,897 53,898 12.696,900 5.516,901 7.855,902 23.863,904 19.596,905 2.355,906 80.083,910 294.278,911 113.87,912 136.354,914 55.313,916 5.807,917 108.063,918 349.59,919 136.354,920 26.899,921 11.815,922 67.133,923 151.783,924 62.408,925 9.042,926 270.735,928 294.278,929 244.417,930 55.313,931 5.807,933 251.849,934 102.397,937 60.163,938 95.67,939 89.735,941 294.278,942 191.667,943 113.87,945 5.807,946 294.278,947 34.64,948 74.941,949 18.011,950 172.138,951 294.278,952 191.667,953 113.87,955 0.591,956 0.327,957 0.167,958 0.093,959 25,960 12,961 0.108,962 7,964 1,965 4.395,966 316.459,968 24,969 166.974,973 1,974 24.273,975 10.182,976 6.189,978 191.667,979 9.075,980 21.741,984 4.59,986 50.908,987 599.815,988 48,991 -3.148,993 23.599,999 62.709,1000 70.687,1001 0.292,1002 0.656,1003 0.873,1004 0.891,1005 0.891,1006 0.891,1007 5.15,1008 1.879,1009 6.057,1010 6.006,1011 4.673,1012 5.204,1013 1.138,1014 6.876,1015 4.56,1016 6.385,1017 1.771,1018 7.629,1019 5.243,1020 4.443,1021 5.263,1023 7.947,1024 4.265,1025 7.725,1026 1.557,1027 9.304,1028 4.963,1029 6.326,1030 7.462,1031 0.787,1032 10.936,1033 6.107,1034 9.1,1035 1.058,1036 11.043,1037 4.606,1038 6.847,1039 8.276,1041 12.815,1042 6.557,1043 10.507,1044 1,1045 12.824,1046 2.926,1047 8.27,1048 10.037,1049 0.602,1050 15.404,1051 7.94,1052 11.936,1053 1,1054 14.636,1055 2.275,1056 9.133,1057 11.187,1059 17.618,1060 8.73,1061 13.383,1062 0.625,1063 16.474,1064 2.275,1065 10.384,1066 12.782,1067 0.471,1068 20.09,1069 9.934,1070 3.314,1071 0.33,1072 18.332,1073 1.255,1074 11.41,1075 14.095,1077 22.439,1078 10.887,1079 3.093,1080 11.657,1081 20.207,1082 0.68,1083 12.599,1084 15.62,1085 0.367,1086 24.879,1087 12.021,1088 2.684,1089 10.402,1090 22.096,1091 4.51,1092 13.701,1093 17.016,1095 27.281,1096 13.053,1097 2.636,1098 7.745,1099 23.996,1100 4.145,1101 14.872,1102 18.513,1103 0.283,1104 29.715,1105 14.163,1106 2.494,1107 7.614,1108 25.906,1109 3.674,1110 16.011,1111 19.951,1113 32.139,1114 15.232,1115 2.192,1116 7.114,1117 27.823,1118 3.586,1119 17.18,1120 21.439,1121 0.217,1122 34.575,1123 16.335,1124 2.079,1125 6.373,1126 29.747,1127 2.967,1128 18.338,1129 22.9,1131 37.008,1132 17.423,1133 15872,1134 27859,1135 24.156,1136 40.671,1137 55.521,1138 57.166,1139 56.779,1140 55.43,1141 55.425,1142 71.556,1143 3.32,1144 162.268,1145 52.209,1146 5.743,1147 6.375,1148 6.664,1149 5.349,1150 5.314,1151 7.51,1152 1.72,1153 18.546,1154 5.046,1155 19.829,1156 1.501,1157 1.545,1158 1.535,1159 1.498,1160 1.498,1161 1.934,1162 0.09,1163 4.386,1164 1.411,1165 4.06,1166 4.086,1167 4.722,1168 3.985,1169 7.716,1170 3.931,1171 3.971,1172 3.985,1173 3.977,1174 3.872,1175 6.999,1176 3.823,1177 3.845,1178 3.886,1179 3.802,1180 3.72,1181 5.259,1182 3.729,1183 3.759,1184 3.8,1185 3.716,1186 3.609,1187 5,1188 3.599,1189 3.631,1190 3.662,1191 3.576,1192 3.476,1193 4.858,1194 3.477,1195 3.285,1196 3.346,1197 3.154,1198 3.051,1199 4.668,1200 3.059,1201 3.179,1202 3.28,1203 3.007,1204 2.963,1205 4.41,1206 2.965,1207 3.135,1208 3.221,1209 2.978,1210 2.941,1211 4.264,1212 2.91,1213 0.128,1214 0.118,1215 0.192,1216 0.115,1217 0.09,1218 4.743,1219 0.122,1220 4.375,1221 0.023,1222 7.111,1223 0.315,1224 4.249,1225 0.083,1226 3.314,1227 4.51,1228 0.86,1229 11.657,1230 3.082,1231 1.956,1232 1.924,1233 2.086,1234 2.093,1235 1.477,1236 2.106,1237 1.861,1238 1.841,1239 1.951,1240 2.025,1241 1.112,1242 2.024,1243 1.783,1244 1.755,1245 1.875,1246 1.951,1247 0.973,1248 1.93,1249 1.657,1250 1.631,1251 1.765,1252 1.849,1253 0.914,1254 1.858,1255 1.556,1256 1.52,1257 1.602,1258 1.716,1259 0.825,1260 1.756,1261 1.221,1262 1.155,1263 1.57,1264 1.524,1265 0.786,1266 1.538,1267 1.168,1268 1.088,1269 1.513,1270 1.443,1271 0.66,1272 1.464,1273 1.153,1274 1.064,1275 1.467,1276 1.376,1277 0.573,1278 1.429,1279 4.317,1281 5.659,1283 7.183,1285 8.786,1287 10.43,1289 4.581,1293 5.886,1295 3.463,1296 3.271,1297 5.12,1299 0.363,1300 1.541,1305 38.771,1306 107.692,1307 241.993,1308 322.141,1309 328.896,1310 328.896,1311 328.896,1312 70.786,1313 7.85,1314 149.11,1315 157.49,1316 24,1317 12.685,1318 4.392,1319 3.585,1320 56.677,1321 147,1322 178,1323 0.177,1324 243.356,1325 416.14,1326 585.548,1327 26865,1329 24.294,1330 0.715,1331 0.594,1332 24.544,1333 20.21,1334 16.207,1335 0.438,1336 0.345,1337 10.868,1338 14.656,1339 10.373,1340 8.631,1341 17.101,1342 12.755,1343 15.631,1344 0.295,1345 0.195,1346 17.018,1347 10.31,1348 11.895,1349 0.183,1350 0.108,1351 12.652,1352 7.028,1353 9.841,1354 0.119,1355 0.059,1356 10.357,1357 4.877,1358 7.89,1359 0.074,1360 0.033,1361 8.258,1362 3.481,1363 0.279,1364 111.682,1365 0.203,1366 31.479,1367 0.487,1368 180,1369 567.583,1370 235.934,1371 565.904,1372 767.92,1373 524,1374 208,1375 545.029,1376 269.34,1377 583.926,1378 840.23,1379 543,1380 8.046}
{0 CHEMBL2165021,1 1.646,2 9.478,3 1.335,4 1.782,5 83.358,6 8.141,7 0.72,8 3.768,9 3.899,10 3.406,11 3.231,12 5.01,13 3.26,14 4.216,15 4.395,16 3.729,17 3.534,18 5.446,19 3.555,20 4.328,21 4.522,22 3.747,23 3.616,24 5.533,25 3.625,26 4.342,27 4.542,28 3.665,29 3.624,30 5.487,31 3.595,32 4.387,33 4.603,34 3.65,35 3.647,36 5.533,37 3.599,38 4.413,39 4.666,40 3.612,41 3.582,42 5.519,43 3.533,44 4.261,45 4.491,46 3.382,47 3.452,48 5.385,49 3.395,50 4.168,51 4.432,52 3.182,53 3.286,54 5.157,55 3.192,56 0.085,57 0.635,58 6.671,59 2.606,60 9.119,61 3.404,62 0.307,63 0.908,64 12.678,65 4.088,66 24.184,67 5.57,68 0.357,69 1.015,70 14.065,71 3.96,72 28.916,73 5.461,74 0.298,75 0.996,76 14.604,77 4.851,78 25.039,79 6.75,80 0.331,81 1.029,82 15.575,83 5.061,84 30.449,85 7.336,86 0.377,87 0.983,88 18.126,89 5.456,90 34.857,91 8.137,92 0.353,93 0.85,94 14.337,95 3.94,96 29.804,97 5.739,98 0.249,99 0.683,100 14.923,101 4.824,102 24.464,103 7.239,104 11,105 34,106 0.293,107 0.649,108 0.827,109 0.871,110 0.881,111 0.881,112 3.189,113 0.822,114 -2.98,115 -2.99,116 -2.88,119 39.5,120 1,124 1,142 3,144 1,145 3,146 2,147 3,149 1,163 1,164 1,165 1,172 1,174 2,175 6,177 1,178 2,180 2,185 1,186 2,187 3,190 2,192 1,198 1,199 2,201 1,202 2,204 2,207 1,209 1,211 2,212 3,214 1,215 2,223 2,224 3,226 1,227 2,228 1,229 1,231 1,232 1,236 2,237 2,245 1,249 1,250 1,255 1,258 1,260 1,262 2,263 3,265 1,266 1,268 1,271 1,273 1,275 751,276 15.61,277 15.61,278 15.61,279 15.61,280 15.61,281 13.397,282 19.388,283 9.297,284 16.196,285 12.309,286 12.309,287 12.309,288 12.309,289 12.309,290 9.019,291 28.039,292 4.381,293 13.181,294 3.602,295 1.602,296 0.606,297 0.356,298 0.303,299 0.303,300 3.871,303 1,304 1,305 1,306 463,307 2.345,311 215.623,318 1.456,319 20.475,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.5,331 218,332 4.422,333 3.127,334 6.526,335 4.016,336 3.063,337 4.103,338 0.86,339 10.307,340 2.919,341 4.062,342 2.877,343 5.606,344 3.619,345 2.678,346 3.663,347 0.4,348 7.678,349 2.522,350 3.937,351 2.723,352 5.425,353 3.459,354 2.53,355 3.524,357 7.131,358 2.352,359 3.475,360 2.408,361 5.143,362 3.091,363 2.168,364 2.765,366 6.33,367 1.988,368 3.232,369 2.086,370 4.839,371 2.822,372 1.879,373 2.504,375 5.273,376 1.771,377 3.225,378 1.9,379 4.618,380 2.761,381 1.825,382 2.481,384 4.963,385 1.702,386 2.864,387 1.482,388 3.957,389 2.362,390 1.421,391 2.02,393 3.238,394 1.334,395 2.55,396 1.112,397 3.593,398 1.982,399 1.058,400 1.575,402 2.697,403 0.976,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.757,414 1,415 3,416 1.451,417 0.593,418 0.666,420 1.029,421 0.506,422 1.335,423 0.319,424 2.681,425 0.993,426 0.086,427 0.104,428 0.182,429 0.078,430 1,431 -0.126,432 2.527,433 0.605,434 -0.347,435 -0.445,436 -0.891,437 -0.327,438 0.958,439 -0.21,440 2.382,441 0.53,442 -0.387,443 -0.496,445 -0.9,446 -0.357,447 0.772,448 -0.28,449 2,450 0.368,451 -0.551,452 -0.665,454 -1.249,455 -0.504,456 0.601,457 -0.648,458 2,459 0.152,460 -0.792,461 -1.022,463 -1.901,464 -0.744,465 10.633,466 0.462,467 0.52,468 0.023,469 35.75,470 1.554,471 19.5,472 0.848,473 16.25,474 0.707,475 13.561,476 0.59,477 24.167,478 0.636,479 24.583,480 1.069,481 7.244,482 0.315,483 3.908,484 0.17,485 0.132,487 0.329,493 1.029,494 1.515,495 0.732,496 1.13,497 1.105,498 0.907,499 1.062,500 1.179,501 0.729,502 0.887,503 0.758,504 0.779,505 1.255,506 1.001,507 1.048,508 0.858,509 1.206,510 0.887,511 0.987,512 1.16,513 1.019,514 1.099,515 0.894,516 1.072,517 0.754,518 1.113,519 1.042,520 1.116,521 1.002,522 1.121,523 0.735,524 0.891,525 0.822,526 0.879,527 0.7,528 0.867,529 1.186,530 0.932,531 1.314,532 1.007,533 1.31,534 1.133,535 0.671,536 0.987,537 0.828,538 1.065,539 0.722,540 0.995,541 5,542 0.095,543 2,544 1.438,545 1.138,546 0.743,547 0.363,548 0.323,549 0.217,550 0.108,551 5423,552 16544,553 2.067,554 39.5,556 6,558 3,559 3,560 3,564 1.659,565 1.944,566 3.215,567 1.118,568 1,569 1,571 1,573 62.563,574 1.646,575 3.645,576 4.642,577 4.892,578 4.945,579 4.945,580 2.682,581 4.002,582 4.494,583 3.356,584 849.152,585 7.75,586 9594.39,587 1,588 1,591 199.421,592 1.371,593 4.458,594 0.2,595 0.012,596 0.059,597 0.042,598 0.037,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.421,605 0.33,606 1,607 0.777,608 107.142,609 -0.157,610 -0.321,611 0.036,612 -0.12,613 -0.243,614 -0.017,615 0.048,616 -0.1,617 0.168,618 0.08,619 0.169,620 0.127,621 -0.207,622 0.131,623 -0.164,624 0.04,625 -0.239,626 -0.033,627 -0.087,628 -0.101,629 -0.123,630 -0.122,631 -0.029,632 -0.134,633 0.029,634 -0.061,635 -0.137,636 -0.148,637 -0.084,638 -0.172,639 0.12,640 0.06,641 0.177,642 0.093,643 0.222,644 0.133,645 -0.237,646 0.106,647 -0.373,648 -0.089,649 -0.335,650 -0.218,651 0.161,652 -0.141,653 0.214,654 -0.021,655 0.198,656 0.09,657 1.282,658 1.788,659 0.783,660 17.58,661 1.015,662 1.141,663 1.754,664 3.077,665 0.672,666 3.258,667 3.555,668 3.784,669 4.043,670 4.263,671 4.277,672 4.304,673 4.407,674 4.419,675 4.394,676 5.608,677 0.657,678 309.37,679 3.258,680 4.779,681 5.609,682 6.475,683 7.323,684 8.195,685 9.05,686 9.924,687 10.782,688 11.658,689 18.4,693 1,697 1,699 5,704 6,705 5,709 7,711 18,722 1,724 1,729 1,731 38,733 18,735 25,737 40,738 15,739 13,746 3,747 3,752 1,761 13,762 2,777 1,778 1,781 15,782 8,783 3,784 8,790 7,794 1,795 1,802 1,805 1,806 1,812 3,840 3,844 2,848 23,849 1,855 1,856 1,870 2.6,875 1,877 11.833,878 7.5,879 5.139,880 1.981,881 3.491,882 1.506,883 0.985,884 4.306,885 10.395,886 3.555,887 4.167,888 4.725,889 5.306,890 5.865,891 6.023,892 6.352,893 6.762,894 7.08,895 7.355,896 1,897 34,898 8.374,900 3.421,901 7.79,902 15.633,904 12.001,905 2.29,906 52.667,910 141.253,911 95.348,912 134.836,914 11,917 95.348,918 152.253,919 134.836,920 19.708,922 61.326,923 119.241,924 66.751,925 9.47,926 105.94,928 141.253,929 230.183,930 11,933 143.581,934 11,937 59.492,938 84.436,939 83.928,941 141.253,942 145.835,943 95.348,946 141.253,947 20.069,948 75.279,949 18.011,950 127.825,951 141.253,952 145.835,953 95.348,955 0.573,956 0.329,957 0.182,958 0.101,959 16,960 7,961 0.1,962 4,964 1,965 3.512,966 180.628,968 18,969 104.042,974 15.129,975 6.547,976 3.524,978 145.835,979 10.098,980 21.24,984 3.989,986 50.908,987 382.437,988 34,999 38.574,1000 43.358,1001 0.314,1002 0.695,1003 0.885,1004 0.932,1005 0.942,1006 0.942,1007 4.758,1008 1.058,1009 5.58,1010 3.238,1011 4.234,1012 4.852,1013 1.029,1014 6.347,1015 4.106,1016 5.966,1017 1,1018 7.107,1019 2.697,1020 3.761,1021 4.559,1023 7.14,1024 3.586,1025 7.261,1026 0.593,1027 8.73,1028 2.275,1029 5.784,1030 7.036,1031 0.763,1032 10.219,1033 5.54,1034 8.589,1035 0.086,1036 10.408,1037 1.029,1038 6.089,1039 7.499,1041 11.844,1042 5.798,1043 9.944,1044 -0.347,1045 12.123,1046 0.182,1047 7.589,1048 9.459,1049 0.597,1050 14.445,1051 7.242,1052 11.318,1053 -0.387,1054 13.866,1055 -0.891,1056 8.281,1057 10.312,1059 16.455,1060 7.889,1061 12.709,1062 -0.551,1063 15.629,1064 -0.9,1065 9.551,1066 12.016,1067 0.47,1068 18.883,1069 9.108,1070 3.063,1071 -0.792,1072 17.409,1073 -1.249,1074 10.443,1075 13.092,1077 21.072,1078 9.957,1079 2.678,1080 10.307,1081 19.204,1082 -1.901,1083 11.61,1084 14.656,1085 0.367,1086 23.436,1087 11.076,1088 2.53,1089 7.678,1090 21.011,1091 4.103,1092 12.606,1093 15.862,1095 25.705,1096 12.029,1097 2.168,1098 7.131,1099 22.828,1100 3.663,1101 13.729,1102 17.349,1103 0.283,1104 28.047,1105 13.107,1106 1.879,1107 6.33,1108 24.654,1109 3.524,1110 14.779,1111 18.633,1113 30.351,1114 14.112,1115 1.825,1116 5.273,1117 26.488,1118 2.765,1119 15.887,1120 20.077,1121 0.217,1122 32.686,1123 15.175,1124 1.421,1125 4.963,1126 28.328,1127 2.504,1128 16.964,1129 21.407,1131 35.006,1132 16.208,1133 5327,1134 9433,1135 16.701,1136 25.54,1137 36.847,1138 37.031,1139 37.841,1140 36.53,1141 36.603,1142 49.808,1143 2.52,1144 102.207,1145 34.207,1146 5.205,1147 5.127,1148 6.208,1149 5.09,1150 5.063,1151 7.103,1152 1.72,1153 17.19,1154 4.861,1155 10.623,1156 1.474,1157 1.481,1158 1.514,1159 1.461,1160 1.464,1161 1.992,1162 0.101,1163 4.088,1164 1.368,1165 3.984,1166 4.032,1167 3.954,1168 3.831,1169 5.205,1170 3.856,1171 3.849,1172 3.891,1173 3.805,1174 3.71,1175 5.021,1176 3.728,1177 3.685,1178 3.745,1179 3.638,1180 3.495,1181 4.933,1182 3.523,1183 3.271,1184 3.334,1185 3.125,1186 3.033,1187 4.66,1188 3.021,1189 3.203,1190 3.298,1191 3.019,1192 2.992,1193 4.418,1194 3.007,1195 3.006,1196 3.091,1197 2.883,1198 2.808,1199 4.069,1200 2.813,1201 2.908,1202 3.012,1203 2.768,1204 2.672,1205 3.942,1206 2.677,1207 2.758,1208 2.846,1209 2.621,1210 2.513,1211 3.81,1212 2.538,1213 0.177,1214 0.125,1215 0.261,1216 0.161,1217 0.123,1218 4.422,1219 0.164,1220 3.127,1221 0.034,1222 6.526,1223 0.412,1224 4.016,1225 0.117,1226 3.063,1227 4.103,1228 0.86,1229 10.307,1230 2.919,1231 1.885,1232 1.843,1233 1.956,1234 2.057,1235 0.986,1236 2.03,1237 1.791,1238 1.754,1239 1.888,1240 1.956,1241 0.908,1242 1.937,1243 1.605,1244 1.549,1245 1.734,1246 1.817,1247 0.72,1248 1.794,1249 1.215,1250 1.136,1251 1.569,1252 1.519,1253 0.575,1254 1.534,1255 1.204,1256 1.132,1257 1.529,1258 1.458,1259 0.535,1260 1.489,1261 0.969,1262 0.895,1263 1.198,1264 1.219,1265 0.234,1266 1.224,1267 0.839,1268 0.757,1269 1.115,1270 1.154,1271 0.067,1272 1.149,1273 0.706,1274 0.611,1275 0.988,1276 0.981,1278 0.997,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.952,1289 3.342,1293 5.788,1296 3.168,1297 5.041,1305 24.972,1306 62.563,1307 138.527,1308 176.402,1309 185.911,1310 187.911,1311 187.911,1312 27.305,1313 6.905,1314 111.73,1315 111.73,1316 18,1317 12.2,1318 4.248,1319 3.322,1320 36.736,1321 75,1322 91,1323 0.237,1324 157.685,1325 260.31,1326 376.512,1327 8751,1329 16.234,1330 0.706,1331 0.552,1332 16.234,1333 12.686,1334 11.152,1335 0.446,1336 0.274,1337 6.705,1338 10.561,1339 6.506,1340 5.463,1341 11.152,1342 6.851,1343 9.917,1344 0.292,1345 0.138,1346 9.917,1347 4.693,1348 7.968,1349 0.185,1350 0.07,1351 7.968,1352 3.007,1353 6.812,1354 0.122,1355 0.036,1356 6.812,1357 2.041,1358 5.35,1359 0.076,1360 0.018,1361 5.35,1362 1.266,1363 0.366,1364 70.904,1365 0.245,1366 22.448,1367 0.667,1368 118,1369 387.606,1370 133.506,1371 376.657,1372 521.43,1373 354,1374 136,1375 393.672,1376 151.12,1377 398.986,1378 575.97,1379 373,1380 6.921}
{0 CHEMBL2165022,1 1.786,2 9.542,3 2.271,4 5.157,5 87.655,6 9.048,7 0.692,8 3.776,9 3.898,10 3.497,11 3.265,12 5.031,13 3.291,14 4.227,15 4.396,16 3.863,17 3.588,18 5.513,19 3.601,20 4.337,21 4.509,22 3.887,23 3.67,24 5.572,25 3.674,26 4.358,27 4.551,28 3.81,29 3.665,30 5.548,31 3.638,32 4.399,33 4.604,34 3.869,35 3.692,36 5.596,37 3.655,38 4.401,39 4.614,40 3.829,41 3.682,42 5.565,43 3.626,44 4.362,45 4.593,46 3.806,47 3.571,48 5.583,49 3.517,50 4.182,51 4.392,52 3.461,53 3.391,54 5.323,55 3.293,56 0.122,57 0.625,58 5.406,59 2.642,60 9.538,61 3.082,62 0.388,63 0.895,64 11.851,65 4.482,66 28.322,67 5.462,68 0.395,69 0.986,70 14.822,71 4.306,72 29.35,73 5.116,74 0.399,75 0.992,76 13.458,77 4.96,78 29.004,79 6.18,80 0.441,81 1,82 15.993,83 5.087,84 35.361,85 6.844,86 0.38,87 0.964,88 17.519,89 6.02,90 31.847,91 7.922,92 0.523,93 0.846,94 18.028,95 4.729,96 42.091,97 6.179,98 0.383,99 0.632,100 22.511,101 5.457,102 34.549,103 6.904,104 18,105 36,106 0.318,107 0.699,108 0.849,109 0.881,110 0.881,111 0.881,112 3.229,113 0.847,114 -4.45,115 -4.38,116 -4.13,119 39.5,120 1,124 1,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 7,177 2,178 3,180 2,183 1,187 6,190 1,192 2,195 1,198 2,199 3,201 1,202 3,204 2,207 2,209 2,211 1,212 5,215 1,217 2,220 3,222 1,223 1,224 4,226 1,227 2,228 1,229 1,231 1,232 1,236 3,237 4,242 1,245 2,247 1,250 3,255 1,258 2,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 846,276 16.058,277 16.058,278 16.058,279 16.058,280 16.058,281 13.82,282 20.989,283 9.436,284 16.783,285 12.792,286 12.792,287 12.792,288 12.792,289 12.792,290 9.43,291 28.68,292 4.464,293 13.949,294 3.462,295 1.322,296 0.481,297 0.303,298 0.303,299 0.303,300 3.909,301 1,303 1,304 1,305 1,306 484,307 2.449,311 227.916,318 1.458,319 23.489,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.833,331 229,332 4.447,333 3.19,334 6.543,335 4.038,336 3.085,337 4.141,338 0.86,339 10.382,340 2.937,341 4.065,342 2.882,343 5.608,344 3.613,345 2.68,346 3.672,347 0.4,348 7.685,349 2.507,350 3.972,351 2.829,352 5.435,353 3.481,354 2.562,355 3.577,357 7.177,358 2.348,359 3.542,360 2.671,361 5.153,362 3.121,363 2.222,364 2.872,366 6.382,367 1.997,368 3.439,369 2.364,370 4.968,371 2.994,372 2.098,373 2.737,375 5.817,376 1.803,377 3.232,378 2.085,379 4.817,380 2.796,381 1.879,382 2.481,384 5.211,385 1.72,386 3.145,387 1.88,388 4.618,389 2.681,390 1.762,391 2.382,393 4.963,394 1.592,395 2.55,396 1.142,397 3.939,398 2,399 1.058,400 1.575,402 2.92,403 0.994,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.787,414 1,415 3.1,416 1.475,417 0.618,418 0.695,420 1.164,421 0.523,422 1.475,423 0.671,424 2.752,425 1.111,426 0.245,427 0.29,428 0.488,429 0.2,430 1,431 0.109,432 2.556,433 0.573,434 -0.335,435 -0.41,436 -0.688,437 -0.262,438 0.965,439 -0.126,440 2.382,441 0.55,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.9,448 -0.251,449 2.339,450 0.449,451 -0.443,452 -0.56,454 -1.146,455 -0.385,456 0.625,457 -0.345,458 2.099,459 0.225,460 -0.704,461 -0.84,463 -1.843,464 -0.593,465 11.348,466 0.473,467 0.626,468 0.026,469 36.5,470 1.521,471 19.5,472 0.813,473 17,474 0.708,475 15.622,476 0.651,477 25.252,478 0.665,479 25.648,480 1.069,481 7.312,482 0.305,483 4.234,484 0.176,485 0.186,487 0.352,493 0.963,494 1.51,495 0.585,496 1.005,497 1.027,498 0.845,499 0.881,500 0.949,501 0.6,502 0.731,503 0.607,504 0.702,505 1.267,506 1.237,507 1.084,508 1.002,509 1.151,510 0.95,511 0.945,512 1.013,513 0.811,514 0.916,515 0.888,516 0.99,517 0.675,518 1.109,519 0.798,520 1.019,521 0.894,522 1.015,523 0.764,524 1.096,525 0.879,526 1.026,527 0.825,528 1.001,529 1.06,530 0.769,531 1.051,532 0.77,533 1.018,534 0.883,535 1.269,536 1.08,537 1.926,538 1.511,539 1.326,540 1.289,541 6,542 0.111,543 2.222,544 1.5,545 1.489,546 0.799,547 0.549,548 0.413,549 0.23,550 0.144,551 5932,552 20429,553 2.04,554 36.8,556 6,558 2,559 3,560 3,564 1.673,565 1.895,566 3.217,567 1.121,568 1,569 1,571 1,573 67.863,574 1.786,575 3.926,576 4.767,577 4.945,578 4.945,579 4.945,580 2.685,581 3.835,582 4.554,583 3.364,584 928.359,585 7.882,586 10805.7,587 1,588 1,590 1,591 199.421,592 1.459,593 4.507,594 0.231,595 0.012,596 0.062,597 0.042,598 0.045,599 0.024,600 0.017,601 0.015,602 0.011,603 0.01,604 0.469,605 0.17,606 1,607 0.813,608 113.212,609 -0.17,610 -0.317,611 0.008,612 -0.094,613 -0.259,614 -0.011,615 0.136,616 0.138,617 0.154,618 0.189,619 0.255,620 0.179,621 -0.287,622 -0.125,623 -0.195,624 -0.099,625 -0.259,626 -0.102,627 -0.074,628 0.064,629 -0.068,630 -0.011,631 -0.063,632 -0.092,633 0.107,634 -0.062,635 0.04,636 -0.082,637 0.002,638 -0.073,639 0.059,640 -0.119,641 0.076,642 -0.03,643 0.075,644 0.002,645 -0.053,646 0.217,647 0.044,648 0.175,649 0.032,650 0.066,651 -0.153,652 -0.245,653 -0.327,654 -0.36,655 -0.122,656 -0.199,657 1.533,658 1.956,659 0.75,660 19.188,661 1.024,662 1.14,663 3.221,664 10.378,665 0.695,666 3.296,667 3.611,668 3.829,669 4.094,670 4.344,671 4.369,672 4.431,673 4.5,674 4.554,675 4.511,676 5.671,677 0.679,678 343.81,679 3.296,680 4.828,681 5.659,682 6.532,683 7.383,684 8.261,685 9.121,686 10,687 10.865,688 11.745,689 18.4,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,730 1,731 38,733 18,735 26,737 40,738 15,739 13,746 3,747 3,748 1,752 1,761 13,762 2,777 1,778 1,781 14,782 8,783 3,784 9,785 1,790 7,794 1,795 1,805 2,812 3,840 3,844 2,845 1,848 24,849 1,855 1,856 1,869 1,870 2.6,875 1,877 12.667,878 7.56,879 5.306,880 1.972,881 3.444,882 1.494,883 0.983,884 4.74,885 10.42,886 3.584,887 4.212,888 4.764,889 5.35,890 5.93,891 6.109,892 6.453,893 6.846,894 7.206,895 7.455,896 1,897 36,898 8.733,900 3.593,901 7.852,902 16.193,904 12.469,905 2.352,906 56.444,910 129.482,911 89.372,912 134.836,913 39.149,914 11,917 89.372,918 179.631,919 134.836,920 19.708,922 61.326,923 107.47,924 61.204,925 9.042,926 105.94,927 39.149,928 129.482,929 224.208,930 11,931 39.149,933 134.138,934 11,937 46.83,938 88.794,939 123.076,941 129.482,942 145.835,943 128.521,946 129.482,947 23.14,948 66.232,949 18.011,950 166.973,951 129.482,952 145.835,953 128.521,955 0.579,956 0.328,957 0.178,958 0.104,959 17,960 8,961 0.1,962 4,964 1,965 3.555,966 193.143,968 18,969 110.039,974 16.367,975 6.95,976 3.897,978 145.835,979 8.428,980 20.878,984 3.867,986 50.908,987 403.838,988 35,999 38.898,1000 43.302,1001 0.34,1002 0.748,1003 0.908,1004 0.942,1005 0.942,1006 0.942,1007 4.8,1008 1.058,1009 5.645,1010 4.963,1011 4.29,1012 4.898,1013 1.029,1014 6.422,1015 4.13,1016 6.02,1017 1,1018 7.182,1019 2.92,1020 3.892,1021 4.691,1023 7.222,1024 3.64,1025 7.325,1026 0.618,1027 8.809,1028 2.275,1029 5.855,1030 7.097,1031 0.763,1032 10.291,1033 5.563,1034 8.661,1035 0.245,1036 10.487,1037 1.164,1038 6.196,1039 7.614,1041 11.899,1042 5.832,1043 10.02,1044 -0.335,1045 12.2,1046 0.488,1047 7.664,1048 9.529,1049 0.597,1050 14.508,1051 7.265,1052 11.398,1053 -0.347,1054 13.938,1055 -0.688,1056 8.373,1057 10.417,1059 16.509,1060 7.919,1061 12.79,1062 -0.443,1063 15.696,1064 -0.891,1065 9.627,1066 12.096,1067 0.47,1068 18.946,1069 9.136,1070 3.085,1071 -0.704,1072 17.471,1073 -1.146,1074 10.529,1075 13.196,1077 21.136,1078 9.992,1079 2.68,1080 10.382,1081 19.262,1082 -1.843,1083 11.691,1084 14.748,1085 0.367,1086 23.509,1087 11.114,1088 2.562,1089 7.685,1090 21.065,1091 4.141,1092 12.695,1093 15.973,1095 25.783,1096 12.074,1097 2.222,1098 7.177,1099 22.879,1100 3.672,1101 13.819,1102 17.455,1103 0.283,1104 28.133,1105 13.158,1106 2.098,1107 6.382,1108 24.703,1109 3.577,1110 14.875,1111 18.755,1113 30.444,1114 14.171,1115 1.879,1116 5.817,1117 26.536,1118 2.872,1119 15.987,1120 20.2,1121 0.217,1122 32.787,1123 15.241,1124 1.762,1125 5.211,1126 28.376,1127 2.737,1128 17.071,1129 21.544,1131 35.113,1132 16.282,1133 5857,1134 11013,1135 17.107,1136 26.398,1137 38.693,1138 39.194,1139 39.805,1140 38.486,1141 38.42,1142 51.847,1143 2.52,1144 108.926,1145 35.153,1146 5.23,1147 5.19,1148 6.096,1149 5.138,1150 5.085,1151 7.141,1152 1.72,1153 17.269,1154 4.882,1155 12.51,1156 1.488,1157 1.507,1158 1.531,1159 1.48,1160 1.478,1161 1.994,1162 0.097,1163 4.189,1164 1.352,1165 3.989,1166 4.033,1167 4.037,1168 3.859,1169 5.262,1170 3.876,1171 3.842,1172 3.885,1173 3.813,1174 3.707,1175 5.03,1176 3.722,1177 3.699,1178 3.751,1179 3.76,1180 3.505,1181 4.951,1182 3.536,1183 3.276,1184 3.336,1185 3.342,1186 3.013,1187 4.7,1188 3.03,1189 3.172,1190 3.278,1191 3.071,1192 2.949,1193 4.496,1194 2.946,1195 3.021,1196 3.089,1197 2.989,1198 2.828,1199 4.34,1200 2.833,1201 2.921,1202 3.018,1203 2.813,1204 2.693,1205 4.029,1206 2.701,1207 2.763,1208 2.848,1209 2.661,1210 2.554,1211 3.854,1212 2.567,1213 0.171,1214 0.123,1215 0.252,1216 0.155,1217 0.119,1218 4.447,1219 0.159,1220 3.19,1221 0.033,1222 6.543,1223 0.399,1224 4.038,1225 0.113,1226 3.085,1227 4.141,1228 0.86,1229 10.382,1230 2.937,1231 1.896,1232 1.863,1233 1.956,1234 2.053,1235 1.025,1236 2.027,1237 1.781,1238 1.747,1239 1.868,1240 1.951,1241 0.91,1242 1.927,1243 1.608,1244 1.55,1245 1.739,1246 1.811,1247 0.763,1248 1.794,1249 1.206,1250 1.138,1251 1.569,1252 1.519,1253 0.575,1254 1.534,1255 1.146,1256 1.053,1257 1.431,1258 1.442,1259 0.311,1260 1.46,1261 0.962,1262 0.898,1263 1.158,1264 1.192,1265 0.201,1266 1.195,1267 0.855,1268 0.777,1269 1.101,1270 1.153,1271 0.027,1272 1.145,1273 0.72,1274 0.637,1275 0.971,1276 0.981,1278 0.996,1279 3.97,1281 5.283,1283 6.788,1285 8.381,1287 10.021,1289 3.293,1290 6.067,1293 5.71,1296 3.159,1297 5.042,1305 25.799,1306 67.863,1307 149.182,1308 181.157,1309 187.911,1310 187.911,1311 187.911,1312 30.874,1313 6.976,1314 111.73,1315 111.73,1316 18,1317 12.284,1318 4.248,1319 3.322,1320 39.089,1321 79,1322 98,1323 0.24,1324 166.018,1325 275.52,1326 396.844,1327 9320,1328 2.6,1329 17.104,1330 0.713,1331 0.573,1332 17.604,1333 13.742,1334 11.546,1335 0.444,1336 0.282,1337 6.845,1338 10.659,1339 6.611,1340 5.529,1341 11.835,1342 7.339,1343 10.55,1344 0.293,1345 0.146,1346 10.959,1347 5.265,1348 8.311,1349 0.185,1350 0.073,1351 8.573,1352 3.275,1353 7.02,1354 0.119,1355 0.037,1356 7.239,1357 2.202,1358 5.712,1359 0.075,1360 0.019,1361 6.011,1362 1.457,1363 0.369,1364 76.397,1365 0.242,1366 23.214,1367 0.68,1368 124,1369 421.81,1370 155.525,1371 439.042,1372 593.88,1373 410,1374 143,1375 422.887,1376 168.259,1377 437.936,1378 634.48,1379 409,1380 6.538}
{0 CHEMBL2165023,1 1.786,2 9.542,3 2.355,4 5.546,5 90.473,6 10.217,7 0.692,8 3.774,9 3.896,10 3.603,11 3.283,12 5.016,13 3.298,14 4.224,15 4.393,16 4.008,17 3.615,18 5.49,19 3.611,20 4.332,21 4.503,22 4.05,23 3.699,24 5.537,25 3.685,26 4.355,27 4.549,28 3.962,29 3.69,30 5.53,31 3.648,32 4.395,33 4.6,34 4.109,35 3.715,36 5.553,37 3.667,38 4.397,39 4.609,40 4.05,41 3.723,42 5.533,43 3.643,44 4.355,45 4.587,46 4.17,47 3.628,48 5.514,49 3.543,50 4.17,51 4.378,52 3.739,53 3.46,54 5.24,55 3.319,56 0.11,57 0.632,58 3.83,59 2.749,60 9.136,61 3.066,62 0.374,63 0.917,64 10.829,65 4.768,66 27.728,67 5.513,68 0.35,69 1.021,70 19.153,71 4.853,72 24.884,73 5.237,74 0.381,75 1.019,76 11.517,77 5.259,78 28.109,79 6.205,80 0.39,81 1.04,82 16.6,83 5.279,84 30.731,85 6.8,86 0.348,87 1.008,88 20.097,89 6.672,90 29.382,91 8.14,92 0.479,93 0.913,94 19.465,95 5.346,96 36.718,97 6.318,98 0.298,99 0.697,100 43.857,101 6.868,102 23.928,103 7.539,104 18,105 36,106 0.318,107 0.699,108 0.849,109 0.881,110 0.881,111 0.881,112 3.229,113 0.895,114 -4.57,115 -4.5,116 -4.23,117 1,119 39.5,120 1,124 1,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 7,177 2,178 3,180 2,183 1,187 6,190 1,192 2,195 1,198 2,199 3,201 1,202 3,204 2,207 2,209 2,211 1,212 5,215 1,217 2,220 3,222 1,223 1,224 4,226 1,227 2,228 1,229 1,231 1,232 1,236 3,237 4,242 1,245 2,247 1,250 3,255 1,258 2,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 846,276 16.058,277 16.058,278 16.058,279 16.058,280 16.058,281 13.82,282 21.032,283 9.436,284 16.811,285 12.792,286 12.792,287 12.792,288 12.792,289 12.792,290 9.43,291 28.715,292 4.464,293 14.007,294 3.462,295 1.322,296 0.481,297 0.303,298 0.303,299 0.303,300 3.909,303 1,304 1,305 1,306 484,307 2.449,311 227.916,318 1.458,319 21.442,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.25,331 229,332 4.447,333 3.184,334 6.543,335 4.037,336 3.085,337 4.141,338 0.86,339 10.382,340 2.935,341 4.065,342 2.88,343 5.608,344 3.613,345 2.68,346 3.672,347 0.4,348 7.685,349 2.507,350 3.972,351 2.81,352 5.435,353 3.48,354 2.562,355 3.577,357 7.177,358 2.345,359 3.542,360 2.66,361 5.153,362 3.118,363 2.222,364 2.872,366 6.382,367 1.994,368 3.439,369 2.361,370 4.968,371 2.983,372 2.098,373 2.737,375 5.817,376 1.763,377 3.232,378 2.085,379 4.817,380 2.796,381 1.879,382 2.481,384 5.211,385 1.718,386 3.145,387 1.88,388 4.618,389 2.679,390 1.762,391 2.382,393 4.963,394 1.565,395 2.55,396 1.141,397 3.939,398 2,399 1.058,400 1.575,402 2.92,403 0.993,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.787,414 1,415 3.1,416 1.474,417 0.618,418 0.695,420 1.164,421 0.52,422 1.475,423 0.656,424 2.752,425 1.105,426 0.245,427 0.29,428 0.488,429 0.19,430 1,431 0.098,432 2.556,433 0.573,434 -0.335,435 -0.41,436 -0.688,437 -0.238,438 0.965,439 -0.126,440 2.382,441 0.548,442 -0.347,443 -0.445,445 -0.891,446 -0.317,447 0.9,448 -0.252,449 2.339,450 0.443,451 -0.443,452 -0.56,454 -1.146,455 -0.377,456 0.625,457 -0.351,458 2.099,459 0.221,460 -0.704,461 -0.84,463 -1.843,464 -0.568,465 11.967,466 0.499,467 0.626,468 0.026,469 36.25,470 1.51,471 19.5,472 0.813,473 16.75,474 0.698,475 17.133,476 0.714,477 24.633,478 0.648,479 24.137,480 1.006,481 7.041,482 0.293,483 4.506,484 0.188,485 0.228,487 0.334,493 1.011,494 1.47,495 0.485,496 0.863,497 1.114,498 0.814,499 0.906,500 0.912,501 0.571,502 0.658,503 0.62,504 0.679,505 1.282,506 1.25,507 1.105,508 1.041,509 1.148,510 0.965,511 0.986,512 0.979,513 0.585,514 0.798,515 0.943,516 0.953,517 0.724,518 1.145,519 0.7,520 0.974,521 1,522 0.997,523 0.725,524 1.063,525 0.932,526 0.976,527 0.77,528 0.987,529 1.067,530 0.766,531 1.142,532 0.821,533 1.079,534 0.875,535 1.044,536 1.161,537 2.676,538 1.894,539 0.953,540 1.422,541 6,542 0.111,543 2.222,544 1.5,545 1.489,546 0.799,547 0.549,548 0.413,549 0.23,550 0.144,551 5932,552 20429,553 2.04,554 36.8,556 6,558 2,559 3,560 3,564 1.673,565 1.895,566 3.217,567 1.121,568 1,569 1,573 67.863,574 1.786,575 3.926,576 4.767,577 4.945,578 4.945,579 4.945,580 2.685,581 3.835,582 4.554,583 3.364,584 928.359,585 7.882,586 10805.7,587 1,588 1,590 1,591 199.421,592 1.459,593 4.507,594 0.231,595 0.012,596 0.062,597 0.042,598 0.045,599 0.024,600 0.017,601 0.015,602 0.011,603 0.01,604 0.469,605 0.17,606 1,607 0.813,608 113.212,609 -0.177,610 -0.302,611 -0.003,612 -0.067,613 -0.278,614 -0.009,615 0.164,616 0.163,617 0.059,618 0.187,619 0.297,620 0.182,621 -0.302,622 -0.141,623 -0.123,624 -0.121,625 -0.269,626 -0.115,627 -0.073,628 0.089,629 -0.007,630 0.024,631 -0.06,632 -0.077,633 0.062,634 -0.107,635 0.058,636 -0.086,637 -0.074,638 -0.067,639 0.081,640 -0.087,641 0.021,642 0.008,643 0.118,644 0.013,645 -0.085,646 0.231,647 0.068,648 0.193,649 -0.064,650 0.09,651 -0.097,652 -0.303,653 -0.357,654 -0.449,656 -0.259,657 1.505,658 1.731,659 0.75,660 19.188,661 1.021,662 1.137,663 3.344,664 11.181,665 0.708,666 3.296,667 3.611,668 3.829,669 4.094,670 4.344,671 4.369,672 4.431,673 4.5,674 4.554,675 4.511,676 5.671,677 0.684,678 388.26,679 3.296,680 4.828,681 5.659,682 6.532,683 7.383,684 8.261,685 9.121,686 10,687 10.865,688 11.745,689 18.4,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,730 1,731 38,733 18,735 26,736 1,737 40,738 15,739 13,746 3,747 3,752 1,761 13,762 2,778 1,781 14,782 8,783 3,784 9,785 1,790 7,794 1,795 1,805 2,812 3,840 3,843 1,844 2,848 24,849 1,855 1,856 1,869 1,870 2.6,875 1,877 12.667,878 7.56,879 5.306,880 1.972,881 3.444,882 1.494,883 0.989,884 4.88,885 10.42,886 3.584,887 4.212,888 4.764,889 5.35,890 5.93,891 6.109,892 6.453,893 6.846,894 7.206,895 7.455,896 1,897 36,898 8.738,900 3.576,901 7.795,902 16.303,904 12.554,905 2.295,906 55.083,910 129.482,911 88.927,912 180.79,914 11,917 134.881,918 140.482,919 134.836,920 19.708,922 61.326,923 107.47,924 60.759,925 9.042,926 105.94,927 45.954,928 129.482,929 223.762,930 11,932 45.954,933 134.138,934 11,937 46.83,938 88.349,939 83.928,940 45.954,941 129.482,942 145.835,943 134.881,946 129.482,947 22.695,948 66.232,949 63.965,950 127.825,951 129.482,952 145.835,953 134.881,955 0.579,956 0.328,957 0.178,958 0.104,959 17,960 8,961 0.1,962 4,964 1,965 3.555,966 193.143,968 18,969 110.039,974 16.555,975 7.074,976 3.981,978 145.835,979 8.79,980 21.077,984 4.498,986 50.908,987 410.198,988 35,999 38.803,1000 43.2,1001 0.34,1002 0.748,1003 0.908,1004 0.942,1005 0.942,1006 0.942,1007 4.8,1008 1.058,1009 5.645,1010 4.963,1011 4.29,1012 4.898,1013 1.029,1014 6.422,1015 4.123,1016 6.02,1017 1,1018 7.182,1019 2.92,1020 3.892,1021 4.691,1023 7.222,1024 3.624,1025 7.325,1026 0.618,1027 8.809,1028 2.275,1029 5.855,1030 7.097,1031 0.763,1032 10.291,1033 5.555,1034 8.661,1035 0.245,1036 10.487,1037 1.164,1038 6.196,1039 7.614,1041 11.899,1042 5.82,1043 10.02,1044 -0.335,1045 12.2,1046 0.488,1047 7.664,1048 9.529,1049 0.597,1050 14.508,1051 7.257,1052 11.398,1053 -0.347,1054 13.938,1055 -0.688,1056 8.373,1057 10.417,1059 16.509,1060 7.908,1061 12.79,1062 -0.443,1063 15.696,1064 -0.891,1065 9.627,1066 12.096,1067 0.47,1068 18.946,1069 9.127,1070 3.085,1071 -0.704,1072 17.471,1073 -1.146,1074 10.529,1075 13.196,1077 21.136,1078 9.982,1079 2.68,1080 10.382,1081 19.262,1082 -1.843,1083 11.691,1084 14.748,1085 0.367,1086 23.509,1087 11.105,1088 2.562,1089 7.685,1090 21.065,1091 4.141,1092 12.695,1093 15.973,1095 25.783,1096 12.064,1097 2.222,1098 7.177,1099 22.879,1100 3.672,1101 13.819,1102 17.455,1103 0.283,1104 28.133,1105 13.147,1106 2.098,1107 6.382,1108 24.703,1109 3.577,1110 14.875,1111 18.755,1113 30.444,1114 14.16,1115 1.879,1116 5.817,1117 26.536,1118 2.872,1119 15.987,1120 20.2,1121 0.217,1122 32.787,1123 15.229,1124 1.762,1125 5.211,1126 28.376,1127 2.737,1128 17.071,1129 21.544,1131 35.113,1132 16.269,1133 5857,1134 11013,1135 17.107,1136 26.892,1137 38.693,1138 39.146,1139 39.805,1140 38.52,1141 38.42,1142 51.847,1143 2.52,1144 108.926,1145 34.975,1146 5.23,1147 5.184,1148 6.096,1149 5.137,1150 5.085,1151 7.141,1152 1.72,1153 17.269,1154 4.879,1155 12.51,1156 1.488,1157 1.506,1158 1.531,1159 1.482,1160 1.478,1161 1.994,1162 0.097,1163 4.189,1164 1.345,1165 3.988,1166 4.032,1167 6.88,1168 3.87,1169 5.259,1170 3.879,1171 3.842,1172 3.885,1173 3.929,1174 3.711,1175 5.001,1176 3.723,1177 3.697,1178 3.75,1179 3.798,1180 3.515,1181 4.867,1182 3.54,1183 3.275,1184 3.335,1185 3.59,1186 3.032,1187 4.671,1188 3.034,1189 3.172,1190 3.278,1191 3.109,1192 2.955,1193 4.41,1194 2.948,1195 3.016,1196 3.086,1197 2.991,1198 2.85,1199 4.031,1200 2.841,1201 2.921,1202 3.018,1203 2.834,1204 2.693,1205 3.982,1206 2.701,1207 2.763,1208 2.848,1209 2.744,1210 2.564,1211 3.808,1212 2.57,1213 0.171,1214 0.122,1215 0.252,1216 0.155,1217 0.119,1218 4.447,1219 0.159,1220 3.184,1221 0.033,1222 6.543,1223 0.399,1224 4.037,1225 0.113,1226 3.085,1227 4.141,1228 0.86,1229 10.382,1230 2.935,1231 1.897,1232 1.864,1233 1.952,1234 2.051,1235 1.032,1236 2.026,1237 1.781,1238 1.748,1239 1.864,1240 1.951,1241 0.913,1242 1.927,1243 1.609,1244 1.551,1245 1.733,1246 1.806,1247 0.765,1248 1.792,1249 1.206,1250 1.139,1251 1.569,1252 1.518,1253 0.575,1254 1.534,1255 1.146,1256 1.054,1257 1.43,1258 1.442,1259 0.324,1260 1.459,1261 0.965,1262 0.901,1263 1.151,1264 1.184,1265 0.202,1266 1.191,1267 0.855,1268 0.777,1269 1.099,1270 1.152,1271 0.032,1272 1.145,1273 0.721,1274 0.638,1275 0.968,1276 0.98,1278 0.995,1279 3.97,1281 5.283,1283 6.788,1285 8.381,1287 10.021,1288 3.413,1289 3.324,1293 5.731,1296 3.197,1297 5.053,1305 25.997,1306 67.863,1307 149.182,1308 181.157,1309 187.911,1310 187.911,1311 187.911,1312 29.505,1313 6.976,1314 111.73,1315 111.73,1316 18,1317 12.284,1318 4.248,1319 3.322,1320 39.089,1321 79,1322 98,1323 0.24,1324 169.599,1325 279.59,1326 405.581,1327 9320,1328 2.6,1329 17.104,1330 0.713,1331 0.607,1332 18.104,1333 14.572,1334 11.546,1335 0.444,1336 0.298,1337 6.864,1338 10.398,1339 6.611,1340 5.529,1341 12.123,1342 7.754,1343 10.55,1344 0.293,1345 0.16,1346 11.367,1347 5.744,1348 8.311,1349 0.185,1350 0.078,1351 8.835,1352 3.502,1353 7.02,1354 0.119,1355 0.04,1356 7.459,1357 2.375,1358 5.712,1359 0.075,1360 0.021,1361 6.311,1362 1.621,1363 0.369,1364 81.593,1365 0.242,1366 23.214,1367 0.68,1368 124,1369 414.261,1370 205.876,1371 439.042,1372 593.88,1373 410,1374 143,1375 419.758,1376 187.38,1377 437.936,1378 634.48,1379 409,1380 6.602}
{0 CHEMBL2165024,1 1.622,2 9.542,3 2.093,4 4.379,5 87.892,6 7.888,7 0.692,8 3.833,9 3.966,10 3.444,11 3.299,12 5.047,13 3.317,14 4.297,15 4.486,16 3.784,17 3.618,18 5.511,19 3.623,20 4.395,21 4.578,22 3.8,23 3.713,24 5.564,25 3.708,26 4.488,27 4.714,28 3.733,29 3.721,30 5.597,31 3.68,32 4.456,33 4.668,34 3.728,35 3.737,36 5.567,37 3.69,38 4.504,39 4.738,40 3.71,41 3.715,42 5.613,43 3.665,44 4.479,45 4.729,46 3.565,47 3.648,48 5.547,49 3.579,50 4.36,51 4.599,52 3.326,53 3.512,54 5.387,55 3.407,56 0.072,57 0.674,58 7.662,59 2.916,60 9.088,61 3.962,62 0.352,63 0.972,64 14.624,65 4.87,66 28.922,67 6.736,68 0.252,69 1.095,70 15.216,71 4.557,72 23.145,73 6.585,74 0.391,75 1.11,76 18.591,77 5.59,78 33.319,79 8.161,80 0.281,81 1.112,82 17.12,83 5.468,84 27.263,85 8.181,86 0.361,87 1.113,88 19.107,89 5.685,90 34.84,91 8.516,92 0.406,93 1.031,94 19.299,95 5.371,96 34.918,97 8.207,98 0.208,99 0.871,100 16.741,101 5.585,102 26.969,103 8.248,104 18,105 36,106 0.285,107 0.661,108 0.816,109 0.87,110 0.87,111 0.87,112 3.229,113 0.839,114 -4.45,115 -4.38,116 -4.13,119 39,120 2,124 1,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 4,174 4,175 8,177 2,178 3,180 2,183 2,187 6,190 1,192 2,195 1,198 2,199 5,201 1,202 3,204 3,207 2,209 2,211 1,212 5,215 1,217 2,220 3,222 1,223 1,224 5,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 3,237 5,242 1,245 3,247 1,250 3,255 1,258 2,260 1,262 3,263 3,265 1,266 1,268 1,271 1,273 1,275 846,276 16.058,277 16.058,278 16.058,279 16.058,280 16.058,281 13.82,282 21.813,283 9.436,284 16.642,285 12.792,286 12.792,287 12.792,288 12.792,289 12.792,290 9.43,291 29.51,292 4.464,293 13.671,294 3.735,295 1.592,296 0.708,297 0.397,298 0.397,299 0.397,300 3.909,303 1,304 1,305 1,306 484,307 2.449,311 227.916,318 1.458,319 20.412,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.5,331 229,332 4.447,333 3.154,334 6.543,335 4.044,336 3.085,337 4.141,338 0.86,339 10.382,340 2.96,341 4.065,342 2.878,343 5.608,344 3.613,345 2.68,346 3.672,347 0.4,348 7.685,349 2.507,350 3.972,351 2.741,352 5.435,353 3.495,354 2.562,355 3.577,357 7.177,358 2.39,359 3.542,360 2.501,361 5.153,362 3.169,363 2.222,364 2.872,366 6.382,367 2.112,368 3.439,369 2.277,370 4.968,371 3.05,372 2.098,373 2.737,375 5.817,376 1.971,377 3.232,378 2.084,379 4.817,380 2.796,381 1.879,382 2.481,384 5.211,385 1.722,386 3.145,387 1.873,388 4.618,389 2.693,390 1.762,391 2.382,393 4.963,394 1.634,395 2.55,396 1.135,397 3.939,398 2,399 1.058,400 1.575,402 2.92,403 0.994,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.787,414 1,415 3.1,416 1.484,417 0.618,418 0.695,420 1.164,421 0.531,422 1.475,423 0.526,424 2.752,425 1.156,426 0.245,427 0.29,428 0.488,429 0.222,430 1,431 -0.024,432 2.556,433 0.586,434 -0.335,435 -0.41,436 -0.688,437 -0.306,438 0.965,439 -0.126,440 2.382,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.9,448 -0.26,449 2.339,450 0.491,451 -0.443,452 -0.56,454 -1.146,455 -0.413,456 0.625,457 -0.453,458 2.099,459 0.263,460 -0.704,461 -0.84,463 -1.843,464 -0.682,465 11.133,466 0.464,467 0.626,468 0.026,469 36.25,470 1.51,471 19.5,472 0.813,473 16.75,474 0.698,475 15.722,476 0.655,477 25.467,478 0.621,479 25.548,480 1.065,481 7.28,482 0.303,483 4.266,484 0.178,485 0.171,487 0.359,493 1.012,494 1.517,495 0.757,496 1.15,497 1.115,498 0.939,499 0.872,500 0.924,501 0.672,502 0.801,503 0.593,504 0.733,505 1.241,506 1.339,507 1.05,508 1.086,509 1.121,510 1.029,511 1,512 0.929,513 1.009,514 0.924,515 0.945,516 0.958,517 0.81,518 1.243,519 1.004,520 1.123,521 1.011,522 1.09,523 0.916,524 1.013,525 0.99,526 0.977,527 0.941,528 0.986,529 1.007,530 0.862,531 1.111,532 0.907,533 1.017,534 0.991,535 0.904,536 1.236,537 1.157,538 1.376,539 1.132,540 1.323,541 6,542 0.111,543 2.222,544 1.5,545 1.489,546 0.799,547 0.549,548 0.413,549 0.23,550 0.144,551 5932,552 17471,553 2.04,554 41.5,555 3,556 6,558 2,559 3,560 3,564 1.673,565 1.895,566 3.217,567 1.08,568 1,569 1,571 1,573 66.521,574 1.622,575 3.766,576 4.65,577 4.961,578 4.961,579 4.961,580 2.685,581 3.835,582 4.554,583 3.364,584 928.359,585 7.882,586 10805.7,587 1,588 1,590 1,591 219.66,592 1.459,593 4.507,594 0.231,595 0.012,596 0.062,597 0.042,598 0.045,599 0.024,600 0.017,601 0.015,602 0.011,603 0.01,604 0.469,605 0.17,606 1,607 0.813,608 113.212,609 -0.133,610 -0.304,611 0.04,612 -0.115,613 -0.24,614 -0.018,615 0.238,616 0.16,617 0.248,618 0.184,619 0.342,620 0.199,621 -0.251,622 -0.191,623 -0.175,624 -0.137,625 -0.238,626 -0.137,627 -0.042,628 0.119,629 -0.067,630 0.029,631 -0.022,632 -0.019,633 -0.034,634 -0.168,635 -0.105,636 -0.138,637 -0.097,638 -0.134,639 -0.03,640 0.016,641 -0.041,642 -0.022,643 -0.007,644 -0.033,645 -0.093,646 0.141,647 -0.138,648 0.033,649 -0.062,650 -0.038,651 -0.083,652 -0.292,653 -0.199,654 -0.357,655 -0.144,656 -0.305,657 1.49,658 1.742,659 0.75,660 19.188,661 1.011,662 1.141,663 3.221,664 10.378,665 0.666,666 3.296,667 3.611,668 3.829,669 4.094,670 4.344,671 4.369,672 4.431,673 4.5,674 4.554,675 4.511,676 5.671,677 0.646,678 323.4,679 3.296,680 4.828,681 5.659,682 6.532,683 7.383,684 8.261,685 9.121,686 10,687 10.865,688 11.745,689 17.1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 41,733 18,735 26,737 43,738 16,739 13,746 3,747 3,752 2,761 13,762 3,777 1,778 1,781 17,782 8,783 3,784 8,790 7,794 1,795 1,805 2,812 3,840 3,844 3,848 24,849 1,855 1,856 1,870 2.4,875 1,877 12.667,878 8.417,879 5.306,880 2.186,881 3.444,882 1.494,883 0.979,884 4.539,885 10.42,886 3.584,887 4.212,888 4.764,889 5.35,890 5.93,891 6.109,892 6.453,893 6.846,894 7.206,895 7.455,896 1,897 36,898 8.751,900 3.57,901 7.764,902 16.407,904 12.635,905 2.264,906 54.333,910 164.795,911 97.882,912 134.836,914 11,917 97.882,918 175.795,919 134.836,920 28.533,922 61.326,923 107.47,924 60.889,925 9.042,926 141.253,928 164.795,929 232.718,930 11,933 169.451,934 11,937 55.655,938 88.479,939 83.928,941 164.795,942 145.835,943 97.882,946 164.795,947 22.825,948 75.057,949 18.011,950 127.825,951 164.795,952 145.835,953 97.882,955 0.579,956 0.328,957 0.178,958 0.104,959 17,960 8,961 0.093,962 4,964 1,965 3.555,966 193.143,968 18,969 110.039,974 16.092,975 6.769,976 3.776,978 145.835,979 8.989,980 21.186,984 4.846,986 50.908,987 408.513,988 35,999 41.458,1000 46.774,1001 0.303,1002 0.703,1003 0.868,1004 0.926,1005 0.926,1006 0.926,1007 4.8,1008 1.058,1009 5.645,1010 4.963,1011 4.29,1012 4.898,1013 1.029,1014 6.422,1015 4.168,1016 6.02,1017 1,1018 7.182,1019 2.92,1020 3.892,1021 4.691,1023 7.222,1024 3.73,1025 7.325,1026 0.618,1027 8.809,1028 2.275,1029 5.855,1030 7.097,1031 0.763,1032 10.291,1033 5.623,1034 8.661,1035 0.245,1036 10.487,1037 1.164,1038 6.196,1039 7.614,1041 11.899,1042 5.928,1043 10.02,1044 -0.335,1045 12.2,1046 0.488,1047 7.664,1048 9.529,1049 0.597,1050 14.508,1051 7.338,1052 11.398,1053 -0.347,1054 13.938,1055 -0.688,1056 8.373,1057 10.417,1059 16.509,1060 8.012,1061 12.79,1062 -0.443,1063 15.696,1064 -0.891,1065 9.627,1066 12.096,1067 0.47,1068 18.946,1069 9.217,1070 3.085,1071 -0.704,1072 17.471,1073 -1.146,1074 10.529,1075 13.196,1077 21.136,1078 10.085,1079 2.68,1080 10.382,1081 19.262,1082 -1.843,1083 11.691,1084 14.748,1085 0.367,1086 23.509,1087 11.203,1088 2.562,1089 7.685,1090 21.065,1091 4.141,1092 12.695,1093 15.973,1095 25.783,1096 12.172,1097 2.222,1098 7.177,1099 22.879,1100 3.672,1101 13.819,1102 17.455,1103 0.283,1104 28.133,1105 13.256,1106 2.098,1107 6.382,1108 24.703,1109 3.577,1110 14.875,1111 18.755,1113 30.444,1114 14.277,1115 1.879,1116 5.817,1117 26.536,1118 2.872,1119 15.987,1120 20.2,1121 0.217,1122 32.787,1123 15.351,1124 1.762,1125 5.211,1126 28.376,1127 2.737,1128 17.071,1129 21.544,1131 35.113,1132 16.4,1133 5857,1134 10191,1135 17.107,1136 27.301,1137 38.693,1138 38.847,1139 39.805,1140 38.358,1141 38.42,1142 51.847,1143 2.52,1144 108.926,1145 36.002,1146 5.23,1147 5.154,1148 6.096,1149 5.144,1150 5.085,1151 7.141,1152 1.72,1153 17.269,1154 4.906,1155 12.51,1156 1.488,1157 1.494,1158 1.531,1159 1.475,1160 1.478,1161 1.994,1162 0.097,1163 4.189,1164 1.385,1165 3.998,1166 4.043,1167 3.967,1168 3.87,1169 5.259,1170 3.887,1171 3.843,1172 3.886,1173 3.801,1174 3.711,1175 5,1176 3.725,1177 3.718,1178 3.778,1179 3.669,1180 3.518,1181 4.864,1182 3.551,1183 3.3,1184 3.365,1185 3.168,1186 3.078,1187 4.67,1188 3.084,1189 3.186,1190 3.282,1191 3.005,1192 2.964,1193 4.41,1194 2.967,1195 3.143,1196 3.238,1197 2.973,1198 2.884,1199 4.035,1200 2.892,1201 2.922,1202 3.019,1203 2.804,1204 2.694,1205 4.019,1206 2.701,1207 2.813,1208 2.908,1209 2.638,1210 2.606,1211 3.825,1212 2.611,1213 0.171,1214 0.121,1215 0.252,1216 0.156,1217 0.119,1218 4.447,1219 0.159,1220 3.154,1221 0.033,1222 6.543,1223 0.399,1224 4.044,1225 0.114,1226 3.085,1227 4.141,1228 0.86,1229 10.382,1230 2.96,1231 1.916,1232 1.88,1233 1.999,1234 2.066,1235 1.089,1236 2.045,1237 1.788,1238 1.754,1239 1.892,1240 1.952,1241 0.933,1242 1.931,1243 1.636,1244 1.573,1245 1.784,1246 1.852,1247 0.785,1248 1.836,1249 1.242,1250 1.175,1251 1.575,1252 1.536,1253 0.596,1254 1.547,1255 1.178,1256 1.098,1257 1.505,1258 1.446,1259 0.565,1260 1.473,1261 1.103,1262 1.003,1263 1.395,1264 1.397,1265 0.231,1266 1.417,1267 0.861,1268 0.783,1269 1.125,1270 1.154,1271 0.179,1272 1.146,1273 0.799,1274 0.707,1275 1.082,1276 1.064,1278 1.089,1279 3.97,1281 5.283,1283 6.788,1285 8.381,1287 10.021,1289 5.292,1293 5.742,1296 3.218,1297 5.059,1305 26.499,1306 66.521,1307 154.401,1308 190.64,1309 203.395,1310 203.395,1311 203.395,1312 29.216,1313 6.976,1314 111.73,1315 111.73,1316 18,1317 12.284,1318 4.248,1319 3.322,1320 39.089,1321 79,1322 98,1323 0.24,1324 167.277,1325 277.61,1326 399.917,1327 9320,1329 17.104,1330 0.713,1331 0.567,1332 17.104,1333 13.608,1334 11.546,1335 0.444,1336 0.28,1337 7.126,1338 10.965,1339 6.855,1340 5.786,1341 11.546,1342 7.272,1343 10.55,1344 0.293,1345 0.144,1346 10.55,1347 5.188,1348 8.311,1349 0.185,1350 0.072,1351 8.311,1352 3.238,1353 7.02,1354 0.119,1355 0.037,1356 7.02,1357 2.174,1358 5.712,1359 0.075,1360 0.019,1361 5.712,1362 1.431,1363 0.369,1364 73.222,1365 0.242,1366 23.214,1367 0.68,1368 124,1369 395.606,1370 140.006,1371 385.806,1372 535.08,1373 362,1374 143,1375 406.024,1376 158.175,1377 413.139,1378 597.22,1379 385,1380 6.62}
{0 CHEMBL2165025,1 1.699,2 9.64,3 1.59,4 2.528,5 89.314,6 8.081,7 0.667,8 3.868,9 3.993,10 3.495,11 3.295,12 5.106,13 3.332,14 4.331,15 4.51,16 3.823,17 3.598,18 5.569,19 3.628,20 4.402,21 4.572,22 3.855,23 3.702,24 5.605,25 3.722,26 4.476,27 4.671,28 3.801,29 3.742,30 5.635,31 3.717,32 4.554,33 4.78,34 3.803,35 3.77,36 5.673,37 3.729,38 4.51,39 4.72,40 3.807,41 3.719,42 5.651,43 3.693,44 4.527,45 4.765,46 3.697,47 3.631,48 5.688,49 3.612,50 4.413,51 4.627,52 3.512,53 3.539,54 5.487,55 3.486,56 0.114,57 0.675,58 7.601,59 2.949,60 9.887,61 3.86,62 0.46,63 0.955,64 15.19,65 4.776,66 33.807,67 6.308,68 0.39,69 1.074,70 14.968,71 4.361,72 27.071,73 6.037,74 0.389,75 1.116,76 16.74,77 5.573,78 29.523,79 7.761,80 0.517,81 1.142,82 19.778,83 5.873,84 39.316,85 8.915,86 0.369,87 1.101,88 18.344,89 5.988,90 30.931,91 8.631,92 0.621,93 1.03,94 20.069,95 4.623,96 47.116,97 7.049,98 0.428,99 0.866,100 18.092,101 5.772,102 31.94,103 7.976,104 21,105 37,106 0.297,107 0.662,108 0.812,109 0.849,110 0.874,111 0.874,112 3.267,113 0.82,114 -3.71,115 -3.68,116 -3.5,119 38.1,120 1,124 2,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 8,177 2,178 3,180 2,186 1,187 6,190 1,192 2,198 2,199 3,201 1,202 3,204 2,207 2,209 2,211 3,212 3,215 2,217 1,220 3,222 1,223 1,224 4,226 1,227 2,228 1,229 1,231 1,232 1,236 4,237 5,239 1,240 1,249 1,250 3,255 1,258 1,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 981,276 16.928,277 16.928,278 16.928,279 16.928,280 16.928,281 14.742,282 23.701,283 9.939,284 17.693,285 13.219,286 13.219,287 13.219,288 13.219,289 13.219,290 9.853,291 32.69,292 4.612,293 14.289,294 3.694,295 1.601,296 0.739,297 0.53,298 0.387,299 0.387,300 3.948,303 1,304 1,305 1,306 507,307 2.646,311 240.863,318 1.494,319 23.617,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 55.5,331 241,332 4.45,333 3.172,334 6.546,335 4.045,336 3.09,337 4.145,338 0.86,339 10.397,340 2.954,341 4.066,342 2.879,343 5.61,344 3.613,345 2.68,346 3.674,347 0.86,348 7.69,349 2.507,350 3.981,351 2.79,352 5.448,353 3.502,354 2.575,355 3.583,356 0.4,357 7.233,358 2.379,359 3.592,360 2.65,361 5.24,362 3.202,363 2.284,364 2.923,366 6.605,367 2.09,368 3.452,369 2.363,370 5.126,371 3.062,372 2.134,373 2.745,375 6.237,376 1.969,377 3.232,378 2.085,379 4.832,380 2.796,381 1.879,382 2.481,384 5.244,385 1.722,386 3.155,387 1.882,388 4.618,389 2.698,390 1.774,391 2.394,393 4.963,394 1.635,395 2.55,396 1.189,397 3.947,398 2,399 1.059,400 1.575,402 2.929,403 0.994,404 2.5,405 1.071,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.848,414 1.066,415 3.141,416 1.543,417 0.68,418 0.765,420 1.309,421 0.583,422 1.667,423 1,424 2.8,425 1.37,426 0.519,427 0.576,428 0.796,429 0.439,430 1.269,431 0.398,432 2.73,433 0.966,434 0.071,435 0.082,436 0.128,437 0.063,438 1,439 -0.114,440 2.519,441 0.573,442 -0.347,443 -0.445,445 -0.834,446 -0.317,447 0.959,448 -0.128,449 2.382,450 0.535,451 -0.381,452 -0.482,454 -0.891,455 -0.347,456 0.793,457 -0.265,458 2.216,459 0.397,460 -0.517,461 -0.627,463 -1.195,464 -0.47,465 11.467,466 0.459,467 0.588,468 0.024,469 37.75,470 1.51,471 20,472 0.8,473 17.75,474 0.71,475 16.061,476 0.642,477 26.933,478 0.641,479 27.622,480 1.105,481 7.724,482 0.309,483 4.36,484 0.174,485 0.166,487 0.349,493 1.016,494 1.58,495 0.735,496 1.221,497 1.089,498 0.956,499 1.12,500 0.904,501 0.717,502 0.75,503 0.756,504 0.685,505 1.245,506 1.258,507 1.017,508 0.969,509 1.123,510 0.932,511 0.88,512 1.129,513 1.035,514 1.144,515 0.909,516 1.123,517 0.66,518 1.014,519 0.92,520 0.945,521 0.926,522 0.966,523 0.802,524 1.256,525 0.869,526 1.183,527 0.78,528 1.068,529 1.19,530 0.735,531 1.174,532 0.771,533 1.169,534 0.898,535 1.231,536 1.128,537 1.059,538 1.155,539 1.009,540 1.111,541 6,542 0.124,543 2.222,544 1.5,545 1.529,546 0.861,547 0.549,548 0.491,549 0.25,550 0.154,551 6545,552 20522,553 2.038,554 40.5,556 9,558 2,559 3,560 3,564 1.685,565 1.899,566 3.218,567 1.084,568 1,569 1,571 1,573 71.339,574 1.699,575 3.791,576 4.654,577 4.862,578 5.005,579 5.005,580 2.675,581 4.244,582 4.612,583 3.386,584 1015.86,585 8.006,586 12233.3,587 1,588 1,590 1,591 226.477,592 1.44,593 4.569,594 0.222,595 0.012,596 0.06,597 0.039,598 0.044,599 0.025,600 0.016,601 0.016,602 0.01,603 0.009,604 0.454,605 0.33,606 1,607 0.9,608 119.594,609 -0.145,610 -0.359,611 0.044,612 -0.172,613 -0.231,614 -0.038,615 0.054,616 0.165,617 0.212,618 0.227,619 0.227,620 0.231,621 -0.239,622 -0.096,623 -0.155,624 -0.018,625 -0.225,626 -0.055,627 -0.05,628 -0.021,629 -0.157,630 -0.159,631 -0.067,632 -0.184,633 0.124,634 0.025,635 0.012,636 0.03,637 -0.004,638 0.006,639 0.039,640 -0.227,641 0.056,642 -0.182,643 0.105,644 -0.087,645 -0.128,646 0.298,647 -0.188,648 0.099,649 -0.123,650 -0.01,651 -0.116,652 -0.22,653 -0.064,654 -0.123,655 0.004,656 -0.098,657 1.526,658 1.751,659 0.72,660 21.37,661 1.019,662 1.142,663 2.482,664 6.163,665 0.661,666 3.332,667 3.638,668 3.871,669 4.127,670 4.382,671 4.443,672 4.511,673 4.605,674 4.635,675 4.635,676 5.797,677 0.648,678 339.4,679 3.332,680 4.86,681 5.694,682 6.564,683 7.418,684 8.294,685 9.157,686 10.036,687 10.903,688 11.785,689 16.7,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 2,731 42,733 18,735 27,737 44,738 16,739 13,746 3,747 3,752 1,761 13,762 3,777 1,778 1,781 17,782 9,783 3,784 9,790 7,794 1,795 2,805 2,812 3,840 3,844 3,848 25,849 1,855 1,856 2,870 4.8,875 2,877 13.167,878 8.583,879 5.639,880 2.144,881 3.4,882 1.483,883 0.967,884 5.027,885 10.444,886 3.611,887 4.227,888 4.79,889 5.371,890 5.954,891 6.16,892 6.51,893 6.909,894 7.261,895 7.543,896 1,897 38,898 9.105,900 3.698,901 7.813,902 16.942,904 12.879,905 2.313,906 57.833,910 164.795,911 101.998,912 134.836,914 22,917 101.998,918 186.795,919 134.836,920 30.591,922 61.326,923 107.47,924 73.947,925 9.042,926 141.253,928 164.795,929 236.834,930 22,933 169.451,934 22,937 46.83,938 101.42,939 83.928,941 164.795,942 156.835,943 101.998,946 164.795,947 24.883,948 77.115,949 18.011,950 138.825,951 164.795,952 156.835,953 101.998,955 0.573,956 0.332,957 0.179,958 0.103,959 17,960 8,961 0.114,962 5,964 1,965 3.632,966 204.255,968 18,969 116.096,974 17.019,975 7.384,976 3.993,978 156.835,979 8.591,980 21.07,984 4.063,986 50.908,987 423.629,988 36,999 42.785,1000 47.983,1001 0.315,1002 0.703,1003 0.863,1004 0.902,1005 0.928,1006 0.928,1007 4.824,1008 1.059,1009 5.673,1010 4.963,1011 4.317,1012 4.913,1013 1.454,1014 6.45,1015 4.175,1016 6.037,1017 1,1018 7.21,1019 2.929,1020 3.892,1021 4.691,1023 7.261,1024 3.701,1025 7.34,1026 0.68,1027 8.838,1028 2.275,1029 5.883,1030 7.109,1031 1.175,1032 10.324,1033 5.619,1034 8.675,1035 0.519,1036 10.518,1037 1.309,1038 6.217,1039 7.625,1041 11.937,1042 5.907,1043 10.036,1044 0.071,1045 12.232,1046 0.796,1047 7.693,1048 9.54,1049 0.966,1050 14.538,1051 7.327,1052 11.414,1053 -0.347,1054 13.971,1055 0.128,1056 8.398,1057 10.429,1059 16.538,1060 7.991,1061 12.807,1062 -0.381,1063 15.729,1064 -0.834,1065 9.655,1066 12.107,1067 0.788,1068 18.971,1069 9.2,1070 3.09,1071 -0.517,1072 17.504,1073 -0.891,1074 10.556,1075 13.209,1077 21.159,1078 10.062,1079 2.68,1080 10.397,1081 19.293,1082 -1.195,1083 11.717,1084 14.759,1085 0.634,1086 23.53,1087 11.181,1088 2.575,1089 7.69,1090 21.095,1091 4.145,1092 12.72,1093 15.986,1095 25.804,1096 12.147,1097 2.284,1098 7.233,1099 22.907,1100 3.674,1101 13.844,1102 17.467,1103 0.504,1104 28.154,1105 13.23,1106 2.134,1107 6.605,1108 24.73,1109 3.583,1110 14.901,1111 18.769,1113 30.466,1114 14.249,1115 1.879,1116 6.237,1117 26.56,1118 2.923,1119 16.013,1120 20.213,1121 0.395,1122 32.809,1123 15.321,1124 1.774,1125 5.244,1126 28.399,1127 2.745,1128 17.097,1129 21.558,1131 35.137,1132 16.367,1133 6485,1134 11625,1135 17.8,1136 27.756,1137 39.654,1138 40.36,1139 41.152,1140 39.384,1141 39.488,1142 52.886,1143 4.24,1144 111.612,1145 36.585,1146 5.235,1147 5.172,1148 6.099,1149 5.145,1150 5.09,1151 7.145,1152 1.72,1153 17.285,1154 4.899,1155 12.956,1156 1.469,1157 1.495,1158 1.524,1159 1.459,1160 1.463,1161 1.959,1162 0.157,1163 4.134,1164 1.355,1165 3.993,1166 4.036,1167 3.965,1168 3.851,1169 5.26,1170 3.873,1171 3.842,1172 3.885,1173 3.801,1174 3.704,1175 5.01,1176 3.721,1177 3.708,1178 3.759,1179 3.666,1180 3.497,1181 4.917,1182 3.534,1183 3.309,1184 3.366,1185 3.182,1186 3.035,1187 4.692,1188 3.058,1189 3.218,1190 3.292,1191 3.036,1192 2.961,1193 4.498,1194 2.966,1195 3.165,1196 3.271,1197 2.987,1198 2.895,1199 4.36,1200 2.903,1201 2.934,1202 3.028,1203 2.817,1204 2.729,1205 4.029,1206 2.72,1207 2.918,1208 3.014,1209 2.723,1210 2.689,1211 3.871,1212 2.7,1213 0.165,1214 0.117,1215 0.242,1216 0.15,1217 0.114,1218 4.45,1219 0.154,1220 3.172,1221 0.032,1222 6.546,1223 0.385,1224 4.045,1225 0.109,1226 3.09,1227 4.145,1228 0.86,1229 10.397,1230 2.954,1231 1.896,1232 1.863,1233 1.964,1234 2.06,1235 1.028,1236 2.032,1237 1.781,1238 1.748,1239 1.875,1240 1.952,1241 0.912,1242 1.928,1243 1.612,1244 1.554,1245 1.756,1246 1.838,1247 0.765,1248 1.812,1249 1.225,1250 1.16,1251 1.575,1252 1.544,1253 0.578,1254 1.55,1255 1.182,1256 1.104,1257 1.553,1258 1.482,1259 0.569,1260 1.507,1261 1.127,1262 1.027,1263 1.428,1264 1.44,1265 0.301,1266 1.455,1267 0.914,1268 0.834,1269 1.156,1270 1.165,1271 0.2,1272 1.169,1273 0.853,1274 0.773,1275 1.101,1276 1.149,1277 0.025,1278 1.145,1279 4.007,1281 5.313,1283 6.817,1285 8.41,1287 10.05,1289 4.871,1293 5.744,1296 3.187,1297 10.308,1305 27.213,1306 71.339,1307 159.219,1308 195.458,1309 204.213,1310 210.213,1311 210.213,1312 31.578,1313 7.044,1314 120.96,1315 120.96,1316 18,1317 12.323,1318 4.248,1319 3.322,1320 41.514,1321 83,1322 106,1323 0.239,1324 171.274,1325 286.4,1326 409.668,1327 9963,1329 17.811,1330 0.712,1331 0.561,1332 17.811,1333 14.017,1334 12.084,1335 0.448,1336 0.273,1337 7.197,1338 11.346,1339 6.953,1340 5.855,1341 12.084,1342 7.384,1343 10.719,1344 0.29,1345 0.136,1346 10.719,1347 5.05,1348 8.734,1349 0.186,1350 0.07,1351 8.734,1352 3.312,1353 7.262,1354 0.119,1355 0.035,1356 7.262,1357 2.162,1358 5.847,1359 0.074,1360 0.018,1361 5.847,1362 1.399,1363 0.367,1364 77.565,1365 0.237,1366 24.03,1367 0.681,1368 128,1369 443.342,1370 146.884,1371 423.25,1372 582.88,1373 398,1374 148,1375 436.57,1376 165.888,1377 441.963,1378 638.69,1379 411,1380 7.26}
{0 CHEMBL2165026,1 1.699,2 9.64,3 1.002,4 1.004,5 89.666,6 8.081,7 0.667,8 3.868,9 3.993,10 3.486,11 3.308,12 5.116,13 3.34,14 4.324,15 4.5,16 3.819,17 3.631,18 5.58,19 3.648,20 4.437,21 4.62,22 3.856,23 3.732,24 5.639,25 3.74,26 4.526,27 4.735,28 3.805,29 3.743,30 5.721,31 3.718,32 4.508,33 4.72,34 3.79,35 3.762,36 5.637,37 3.727,38 4.539,39 4.759,40 3.816,41 3.736,42 5.758,43 3.704,44 4.532,45 4.769,46 3.676,47 3.673,48 5.665,49 3.635,50 4.431,51 4.649,52 3.548,53 3.559,54 5.648,55 3.498,56 0.131,57 0.68,58 7.688,59 2.956,60 14.473,61 3.85,62 0.424,63 0.98,64 14.577,65 4.891,66 36.41,67 6.493,68 0.325,69 1.111,70 15.6,71 4.742,72 26.721,73 6.753,74 0.512,75 1.123,76 18.769,77 5.683,78 45.766,79 8.016,80 0.363,81 1.136,82 17.921,83 5.653,84 33.527,85 8.403,86 0.513,87 1.126,88 19.288,89 5.826,90 46.599,91 8.66,92 0.516,93 1.053,94 20.041,95 5.262,96 44.713,97 7.856,98 0.356,99 0.898,100 17.574,101 5.821,102 43.484,103 8.385,104 21,105 37,106 0.297,107 0.697,108 0.857,109 0.885,110 0.885,111 0.885,112 3.267,113 0.827,114 -3.71,115 -3.68,116 -3.5,119 38.1,120 1,124 1,125 1,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 8,177 2,178 3,180 3,183 1,187 5,190 1,192 3,198 2,199 5,201 1,202 4,204 4,207 2,209 2,211 1,212 3,215 1,217 1,220 3,222 1,223 1,224 5,226 1,227 4,228 2,229 2,231 1,232 3,234 1,236 3,237 4,245 1,250 2,253 1,254 1,255 3,257 1,258 1,260 1,262 3,263 3,265 1,266 2,268 2,271 1,273 1,275 981,276 16.928,277 16.928,278 16.928,279 16.928,280 16.928,281 14.742,282 24.104,283 9.939,284 17.533,285 13.219,286 13.219,287 13.219,288 13.219,289 13.219,290 9.853,291 33.433,292 4.612,293 14.141,294 3.694,295 1.398,296 0.482,297 0.322,298 0.322,299 0.322,300 3.948,304 1,305 1,306 507,307 2.646,311 240.863,318 1.494,319 26.552,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 55.5,331 241,332 4.45,333 3.165,334 6.546,335 4.048,336 3.09,337 4.145,338 0.86,339 10.397,340 2.966,341 4.066,342 2.878,343 5.61,344 3.613,345 2.68,346 3.674,347 0.765,348 7.69,349 2.507,350 3.981,351 2.767,352 5.448,353 3.513,354 2.575,355 3.583,356 0.4,357 7.233,358 2.414,359 3.592,360 2.615,361 5.24,362 3.238,363 2.284,364 2.923,366 6.605,367 2.173,368 3.452,369 2.353,370 5.126,371 3.069,372 2.134,373 2.745,375 6.237,376 1.978,377 3.232,378 2.085,379 4.832,380 2.797,381 1.879,382 2.481,384 5.244,385 1.722,386 3.155,387 1.881,388 4.618,389 2.701,390 1.774,391 2.394,393 4.963,394 1.64,395 2.55,396 1.184,397 3.947,398 2,399 1.059,400 1.575,402 2.929,403 0.994,404 2.5,405 1.069,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.848,414 1.065,415 3.141,416 1.564,417 0.68,418 0.765,420 1.309,421 0.596,422 1.667,423 1,424 2.8,425 1.384,426 0.519,427 0.576,428 0.796,429 0.445,430 1.269,431 0.394,432 2.73,433 0.967,434 0.071,435 0.082,436 0.128,437 0.063,438 1,439 -0.122,440 2.519,441 0.573,442 -0.347,443 -0.445,445 -0.834,446 -0.317,447 0.959,448 -0.131,449 2.382,450 0.535,451 -0.381,452 -0.482,454 -0.891,455 -0.348,456 0.793,457 -0.266,458 2.216,459 0.399,460 -0.517,461 -0.627,463 -1.195,464 -0.472,465 11.467,466 0.459,467 0.588,468 0.024,469 37,470 1.48,471 19.5,472 0.78,473 17.5,474 0.7,475 16.442,476 0.658,477 26.933,478 0.641,479 27.241,480 1.09,481 7.535,482 0.301,483 4.549,484 0.182,485 0.151,487 0.349,493 1.057,494 1.508,495 0.763,496 1.125,497 1.117,498 0.913,499 0.955,500 0.949,501 0.742,502 0.826,503 0.815,504 0.771,505 1.075,506 1.33,507 0.974,508 1.074,509 0.838,510 0.992,511 0.987,512 0.959,513 1.034,514 0.96,515 0.966,516 0.999,517 0.755,518 1.227,519 0.952,520 1.103,521 0.828,522 1.058,523 0.685,524 1.042,525 0.909,526 1.013,527 0.668,528 1.005,529 1.096,530 0.856,531 1.118,532 0.881,533 1.099,534 0.957,535 0.847,536 1.253,537 1.029,538 1.387,539 0.903,540 1.274,541 6,542 0.124,543 2.222,544 1.5,545 1.529,546 0.861,547 0.549,548 0.491,549 0.25,550 0.154,551 6545,552 20874,553 2.038,554 40.5,556 8,558 2,559 4,560 3,564 1.685,565 1.899,566 3.218,567 1.855,568 1,569 1,571 1,573 71.339,574 1.699,575 3.994,576 4.91,577 5.071,578 5.071,579 5.071,580 2.675,581 4.244,582 4.612,583 3.386,584 1015.86,585 8.006,586 12233.3,587 1,588 1,591 226.477,592 1.44,593 4.569,594 0.222,595 0.012,596 0.06,597 0.039,598 0.044,599 0.025,600 0.016,601 0.016,602 0.01,603 0.009,604 0.454,605 0.17,606 1,607 0.9,608 119.594,609 -0.187,610 -0.285,611 0.015,612 -0.073,613 -0.252,614 0.005,615 0.085,616 0.154,617 0.153,618 0.17,619 0.077,620 0.156,621 -0.211,622 -0.185,623 -0.114,624 -0.106,625 -0.117,626 -0.082,627 -0.046,628 0.103,629 -0.109,630 0.001,631 -0.049,632 -0.063,633 -0.036,634 -0.152,635 -0.057,636 -0.109,637 -0.086,638 -0.086,639 0.158,640 0.001,641 0.026,642 -0.048,643 0.168,644 -0.046,645 -0.16,646 0.161,647 -0.148,648 0.044,649 -0.149,650 -0.019,651 0.071,652 -0.302,653 -0.068,654 -0.364,655 0.192,656 -0.261,657 1.649,658 3.394,659 0.72,660 21.37,661 1.019,662 1.142,663 2.482,664 6.163,665 0.661,666 3.332,667 3.638,668 3.871,669 4.127,670 4.382,671 4.443,672 4.511,673 4.605,674 4.635,675 4.635,676 5.797,677 0.648,678 339.4,679 3.332,680 4.86,681 5.694,682 6.564,683 7.418,684 8.294,685 9.157,686 10.036,687 10.903,688 11.785,689 16.7,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 42,733 18,735 27,737 44,738 16,739 13,746 3,747 3,752 2,761 13,762 3,777 1,778 1,781 17,782 9,783 4,784 9,790 7,794 1,795 2,796 1,805 2,812 3,838 1,840 3,844 2,848 25,849 1,853 1,854 1,855 1,856 1,870 4.8,871 1,875 1,877 13.167,878 8.117,879 5.639,880 2.161,881 3.4,882 1.483,883 0.951,884 5.027,885 10.444,886 3.611,887 4.227,888 4.79,889 5.371,890 5.954,891 6.16,892 6.51,893 6.909,894 7.261,895 7.543,896 1,897 38,898 9.125,900 3.756,901 7.893,902 16.925,904 13.053,905 2.393,906 59.833,910 153.024,911 89.057,912 134.836,914 53.683,917 89.057,918 206.708,919 134.836,920 19.708,922 104.009,923 107.47,924 60.889,925 9.042,926 129.482,928 153.024,929 223.893,930 53.683,933 157.68,934 11,935 42.683,937 46.83,938 88.479,939 83.928,941 153.024,942 188.519,943 89.057,946 153.024,947 22.825,948 66.232,949 18.011,950 170.508,951 153.024,952 188.519,953 89.057,955 0.573,956 0.332,957 0.179,958 0.103,959 17,960 8,961 0.114,962 5,964 1,965 3.632,966 204.255,968 18,969 116.096,974 17.019,975 7.384,976 3.993,978 188.519,979 8.484,980 20.95,984 3.943,986 93.591,987 430.6,988 36,999 42.785,1000 47.983,1001 0.315,1002 0.741,1003 0.911,1004 0.94,1005 0.94,1006 0.94,1007 4.824,1008 1.059,1009 5.673,1010 4.963,1011 4.317,1012 4.913,1013 1.378,1014 6.45,1015 4.192,1016 6.037,1017 1,1018 7.21,1019 2.929,1020 3.892,1021 4.691,1023 7.261,1024 3.73,1025 7.34,1026 0.68,1027 8.838,1028 2.275,1029 5.883,1030 7.109,1031 1.04,1032 10.324,1033 5.651,1034 8.675,1035 0.519,1036 10.518,1037 1.309,1038 6.217,1039 7.625,1041 11.937,1042 5.949,1043 10.036,1044 0.071,1045 12.232,1046 0.796,1047 7.693,1048 9.54,1049 0.796,1050 14.538,1051 7.368,1052 11.414,1053 -0.347,1054 13.971,1055 0.128,1056 8.398,1057 10.429,1059 16.538,1060 8.04,1061 12.807,1062 -0.381,1063 15.729,1064 -0.834,1065 9.655,1066 12.107,1067 0.606,1068 18.971,1069 9.248,1070 3.09,1071 -0.517,1072 17.504,1073 -0.891,1074 10.556,1075 13.209,1077 21.159,1078 10.115,1079 2.68,1080 10.397,1081 19.293,1082 -1.195,1083 11.717,1084 14.759,1085 0.457,1086 23.53,1087 11.234,1088 2.575,1089 7.69,1090 21.095,1091 4.145,1092 12.72,1093 15.986,1095 25.804,1096 12.203,1097 2.284,1098 7.233,1099 22.907,1100 3.674,1101 13.844,1102 17.467,1103 0.342,1104 28.154,1105 13.288,1106 2.134,1107 6.605,1108 24.73,1109 3.583,1110 14.901,1111 18.769,1113 30.466,1114 14.309,1115 1.879,1116 6.237,1117 26.56,1118 2.923,1119 16.013,1120 20.213,1121 0.254,1122 32.809,1123 15.383,1124 1.774,1125 5.244,1126 28.399,1127 2.745,1128 17.097,1129 21.558,1131 35.137,1132 16.432,1133 6485,1134 11705,1135 17.8,1136 27.756,1137 39.654,1138 40.344,1139 41.152,1140 39.395,1141 39.488,1142 52.886,1143 4.049,1144 111.612,1145 36.909,1146 5.235,1147 5.165,1148 6.099,1149 5.148,1150 5.09,1151 7.145,1152 1.72,1153 17.285,1154 4.912,1155 12.956,1156 1.469,1157 1.494,1158 1.524,1159 1.459,1160 1.463,1161 1.959,1162 0.15,1163 4.134,1164 1.367,1165 4,1166 4.043,1167 3.969,1168 3.869,1169 6.457,1170 3.888,1171 3.844,1172 3.886,1173 3.802,1174 3.711,1175 5.258,1176 3.725,1177 3.722,1178 3.778,1179 3.675,1180 3.518,1181 4.998,1182 3.553,1183 3.316,1184 3.371,1185 3.2,1186 3.08,1187 4.848,1188 3.097,1189 3.205,1190 3.284,1191 3.038,1192 2.964,1193 4.665,1194 2.97,1195 3.159,1196 3.251,1197 2.987,1198 2.886,1199 4.404,1200 2.898,1201 2.922,1202 3.019,1203 2.811,1204 2.695,1205 4.03,1206 2.701,1207 2.851,1208 2.93,1209 2.674,1210 2.612,1211 3.921,1212 2.626,1213 0.165,1214 0.117,1215 0.242,1216 0.15,1217 0.114,1218 4.45,1219 0.154,1220 3.165,1221 0.032,1222 6.546,1223 0.385,1224 4.048,1225 0.11,1226 3.09,1227 4.145,1228 0.86,1229 10.397,1230 2.966,1231 1.914,1232 1.88,1233 1.986,1234 2.066,1235 1.095,1236 2.043,1237 1.787,1238 1.754,1239 1.887,1240 1.952,1241 0.934,1242 1.93,1243 1.633,1244 1.573,1245 1.775,1246 1.853,1247 0.785,1248 1.832,1249 1.236,1250 1.178,1251 1.572,1252 1.54,1253 0.586,1254 1.545,1255 1.175,1256 1.1,1257 1.471,1258 1.451,1259 0.556,1260 1.471,1261 1.099,1262 1.006,1263 1.366,1264 1.422,1265 0.224,1266 1.415,1267 0.861,1268 0.784,1269 1.121,1270 1.155,1271 0.168,1272 1.146,1273 0.799,1274 0.717,1275 1.076,1276 1.092,1278 1.097,1279 4.007,1281 5.313,1283 6.817,1285 8.41,1287 10.05,1289 3.279,1293 5.726,1294 9.394,1295 -0.149,1296 3.161,1297 5.046,1305 27.213,1306 71.339,1307 167.748,1308 206.213,1309 212.968,1310 212.968,1311 212.968,1312 35.767,1313 7.044,1314 131.96,1315 131.96,1316 18,1317 12.323,1318 4.248,1319 3.322,1320 41.514,1321 83,1322 106,1323 0.239,1324 171.274,1325 286.4,1326 409.668,1327 9963,1329 17.811,1330 0.712,1331 0.551,1332 17.811,1333 13.763,1334 12.084,1335 0.448,1336 0.276,1337 7.275,1338 11.42,1339 7.064,1340 5.917,1341 12.084,1342 7.441,1343 10.719,1344 0.29,1345 0.14,1346 10.719,1347 5.177,1348 8.734,1349 0.186,1350 0.071,1351 8.734,1352 3.341,1353 7.262,1354 0.119,1355 0.036,1356 7.262,1357 2.199,1358 5.847,1359 0.074,1360 0.018,1361 5.847,1362 1.439,1363 0.367,1364 77.157,1365 0.237,1366 24.03,1367 0.681,1368 128,1369 431.756,1370 145.445,1371 415.798,1372 569.52,1373 390,1374 148,1375 421.539,1376 164.504,1377 427.864,1378 620.41,1379 399,1380 7.201}
{0 CHEMBL2165027,1 1.673,2 10.115,3 1.411,4 1.99,5 94.417,6 7.854,7 0.643,8 3.927,9 4.054,10 3.53,11 3.359,12 5.136,13 3.385,14 4.406,15 4.591,16 3.846,17 3.672,18 5.602,19 3.686,20 4.472,21 4.648,22 3.884,23 3.784,24 5.632,25 3.784,26 4.612,27 4.835,28 3.851,29 3.818,30 5.716,31 3.781,32 4.57,33 4.775,34 3.848,35 3.846,36 5.673,37 3.803,38 4.655,39 4.893,40 3.867,41 3.827,42 5.765,43 3.782,44 4.593,45 4.822,46 3.766,47 3.757,48 5.677,49 3.718,50 4.544,51 4.768,52 3.649,53 3.673,54 5.644,55 3.618,56 0.098,57 0.713,58 8.593,59 3.259,60 10.33,61 4.411,62 0.49,63 1.017,64 17.1,65 5.302,66 36.123,67 7.146,68 0.29,69 1.161,70 16.492,71 5.063,72 24.565,73 7.359,74 0.522,75 1.2,76 21.648,77 6.442,78 39.796,79 9.424,80 0.323,81 1.225,82 19.143,83 6.249,84 29.257,85 9.353,86 0.558,87 1.232,88 22.984,89 6.598,90 44.466,91 10.155,92 0.47,93 1.145,94 21.23,95 5.79,96 37.02,97 8.808,98 0.414,99 1.024,100 20.189,101 5.935,102 38.768,103 8.835,104 22,105 38,106 0.288,107 0.66,108 0.827,109 0.876,110 0.876,111 0.876,112 3.304,113 0.838,114 -3.96,115 -3.91,116 -3.71,119 37.8,120 1,124 2,125 1,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 9,177 2,178 3,180 2,183 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 2,209 2,211 1,212 3,215 1,217 1,220 3,222 1,223 3,224 5,226 1,227 3,228 1,229 2,231 1,232 3,234 1,236 3,237 4,245 1,249 1,250 4,252 1,253 1,255 1,258 1,260 1,262 4,263 4,265 1,266 1,268 1,271 1,273 1,275 1132,276 17.635,277 17.635,278 17.635,279 17.635,280 17.635,281 15.449,282 24.776,283 10.544,284 18.396,285 13.757,286 13.757,287 13.757,288 13.757,289 13.757,290 10.413,291 33.863,292 4.907,293 14.823,294 3.819,295 1.662,296 0.689,297 0.406,298 0.406,299 0.406,300 3.987,303 1,304 1,305 1,306 551,307 2.828,311 254.321,318 1.441,319 24.081,321 1,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 57.5,331 263,332 4.451,333 3.169,334 6.547,335 4.049,336 3.09,337 4.145,338 1.151,339 10.398,340 2.966,341 4.067,342 2.879,343 5.61,344 3.613,345 2.681,346 3.674,347 0.86,348 7.691,349 2.507,350 3.982,351 2.792,352 5.451,353 3.517,354 2.578,355 3.584,356 0.4,357 7.254,358 2.418,359 3.602,360 2.66,361 5.262,362 3.253,363 2.303,364 2.93,366 6.695,367 2.183,368 3.454,369 2.374,370 5.13,371 3.072,372 2.14,373 2.745,375 6.264,376 1.979,377 3.232,378 2.085,379 4.833,380 2.797,381 1.879,382 2.481,384 5.249,385 1.722,386 3.157,387 1.897,388 4.618,389 2.704,390 1.778,391 2.396,393 4.963,394 1.642,395 2.55,396 1.733,397 3.949,398 2.002,399 1.109,400 1.575,402 2.936,403 0.995,404 2.5,405 1.133,406 3.414,407 1.96,408 1.058,409 1.5,411 2.275,412 0.957,413 2.197,414 1.066,415 3.256,416 1.949,417 1,418 1.18,420 1.966,421 0.926,422 1.77,423 1,424 3.026,425 1.47,426 0.609,427 0.682,428 1.089,429 0.521,430 1.44,431 0.571,432 2.75,433 1.126,434 0.225,435 0.263,436 0.433,437 0.202,438 1,439 0.161,440 2.543,441 0.612,442 -0.296,443 -0.344,445 -0.538,446 -0.265,447 0.966,448 -0.126,449 2.382,450 0.573,451 -0.347,452 -0.445,454 -0.891,455 -0.318,456 0.908,457 -0.199,458 2.299,459 0.508,460 -0.417,461 -0.527,463 -1.016,464 -0.384,465 11.967,466 0.46,467 0.588,468 0.023,469 37.75,470 1.452,471 19.5,472 0.75,473 18.25,474 0.702,475 17.765,476 0.683,477 28.233,478 0.627,479 28.257,480 1.087,481 7.774,482 0.299,483 4.81,484 0.185,485 0.159,487 0.334,493 1.002,494 1.578,495 0.757,496 1.234,497 1.069,498 0.982,499 1.206,500 0.871,501 0.782,502 0.724,503 0.838,504 0.703,505 1.091,506 1.387,507 1.017,508 1.141,509 1.029,510 1.057,511 0.937,512 0.904,513 0.951,514 0.887,515 0.889,516 0.915,517 0.739,518 1.324,519 0.989,520 1.207,521 0.995,522 1.145,523 0.702,524 0.961,525 0.884,526 0.92,527 0.796,528 0.927,529 1.049,530 1.013,531 1.077,532 0.985,533 1.056,534 1.008,535 1.028,536 1.141,537 1.121,538 1.222,539 1.074,540 1.183,541 6,542 0.132,543 2.222,544 1.5,545 1.529,546 0.889,547 0.589,548 0.491,549 0.312,550 0.169,551 7266,552 22133,553 2.037,554 42.2,556 11,558 2,559 3,560 3,564 1.697,565 1.902,566 3.274,567 1.05,568 1,569 1,571 1,573 75.284,574 1.673,575 3.83,576 4.803,577 5.086,578 5.086,579 5.086,580 2.716,581 4.027,582 4.666,583 3.433,584 1115.68,585 8.123,586 13889.8,588 1,590 1,591 247.133,592 1.42,593 4.628,594 0.214,595 0.011,596 0.058,597 0.038,598 0.041,599 0.024,600 0.016,601 0.015,602 0.011,603 0.008,604 0.437,605 0.33,606 1,607 1.062,608 126.249,609 -0.125,610 -0.342,611 0.046,612 -0.163,613 -0.195,614 -0.038,615 0.021,616 0.2,617 0.164,618 0.263,619 0.169,620 0.225,621 -0.211,622 -0.206,623 -0.156,624 -0.156,625 -0.182,626 -0.14,627 -0.003,628 0.14,629 -0.003,630 0.083,631 0.026,632 0.041,633 -0.03,634 -0.215,635 -0.109,636 -0.194,637 -0.133,638 -0.17,639 0.149,640 0.066,641 0.073,642 0.039,643 0.129,644 0.039,645 -0.118,646 0.033,647 -0.125,648 -0.044,649 -0.105,650 -0.069,651 -0.051,652 -0.139,653 -0.162,654 -0.246,655 -0.035,656 -0.218,657 1.512,658 1.776,659 0.692,660 23.692,661 1.015,662 1.142,663 2.726,664 7.429,665 0.656,666 3.367,667 3.664,668 3.892,669 4.159,670 4.407,671 4.477,672 4.575,673 4.673,674 4.727,675 4.71,676 5.982,677 0.639,678 353.43,679 3.367,680 4.89,681 5.72,682 6.589,683 7.44,684 8.317,685 9.178,686 10.058,687 10.924,688 11.806,689 15.6,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 45,733 18,735 28,737 47,738 17,739 13,746 3,747 3,752 1,761 13,762 4,777 1,778 1,781 19,782 9,783 3,784 9,790 7,794 1,795 2,805 2,812 3,839 1,840 3,844 3,848 26,849 1,854 1,855 1,856 2,870 4.4,874 1,875 1,877 13.667,878 9.083,879 5.889,880 2.311,881 3.36,882 1.473,883 0.963,884 5.563,885 10.468,886 3.638,887 4.241,888 4.798,889 5.385,890 5.965,891 6.179,892 6.544,893 6.945,894 7.303,895 7.583,896 0.857,897 39,898 9.487,900 3.839,901 7.782,902 17.758,904 13.534,905 2.282,906 59.333,910 188.338,911 104.533,912 134.836,914 22,917 104.533,918 210.337,919 134.836,920 30.591,921 4.592,922 61.326,923 118.47,924 60.889,925 9.042,926 164.795,928 188.338,929 239.368,930 22,933 192.993,934 11,935 11,937 51.422,938 99.362,939 83.928,941 188.338,942 156.835,943 104.533,946 188.338,947 27.418,948 77.115,949 18.011,950 138.825,951 188.338,952 156.835,953 104.533,955 0.568,956 0.325,957 0.181,958 0.103,959 17,960 8,961 0.128,962 6,964 1,965 3.725,966 214.649,968 18,969 122.211,974 17.987,975 8.041,976 4.436,978 156.835,979 8.883,980 21.285,984 4.539,986 50.908,987 449.706,988 37,999 45.669,1000 51.398,1001 0.305,1002 0.697,1003 0.874,1004 0.926,1005 0.926,1006 0.926,1007 4.848,1008 1.109,1009 5.694,1010 4.963,1011 4.344,1012 4.927,1013 1.695,1014 6.466,1015 4.211,1016 6.054,1017 1.058,1018 7.225,1019 2.936,1020 3.892,1021 4.691,1023 7.261,1024 3.73,1025 7.353,1026 1,1027 8.849,1028 2.275,1029 5.9,1030 7.114,1031 1.732,1032 10.335,1033 5.661,1034 8.684,1035 0.609,1036 10.526,1037 1.966,1038 6.217,1039 7.625,1041 11.943,1042 5.949,1043 10.042,1044 0.225,1045 12.239,1046 1.089,1047 7.705,1048 9.543,1049 1.866,1050 14.546,1051 7.375,1052 11.419,1053 -0.296,1054 13.976,1055 0.433,1056 8.401,1057 10.43,1059 16.544,1060 8.042,1061 12.811,1062 -0.347,1063 15.734,1064 -0.538,1065 9.664,1066 12.109,1067 2.048,1068 18.976,1069 9.254,1070 3.09,1071 -0.417,1072 17.509,1073 -0.891,1074 10.56,1075 13.21,1077 21.163,1078 10.119,1079 2.681,1080 10.398,1081 19.297,1082 -1.016,1083 11.725,1084 14.76,1085 2.261,1086 23.534,1087 11.239,1088 2.578,1089 7.691,1090 21.099,1091 4.145,1092 12.725,1093 15.987,1095 25.807,1096 12.207,1097 2.303,1098 7.254,1099 22.911,1100 3.674,1101 13.85,1102 17.469,1103 2.495,1104 28.157,1105 13.292,1106 2.14,1107 6.695,1108 24.733,1109 3.584,1110 14.905,1111 18.77,1113 30.468,1114 14.313,1115 1.879,1116 6.264,1117 26.564,1118 2.93,1119 16.018,1120 20.214,1121 2.743,1122 32.811,1123 15.387,1124 1.778,1125 5.249,1126 28.401,1127 2.745,1128 17.102,1129 21.56,1131 35.139,1132 16.436,1133 7216,1134 12729,1135 18.493,1136 29.517,1137 41.091,1138 41.576,1139 42.549,1140 40.82,1141 40.899,1142 54.311,1143 4.822,1144 114.427,1145 38.034,1146 5.236,1147 5.169,1148 6.315,1149 5.149,1150 5.09,1151 7.145,1152 2.302,1153 17.286,1154 4.913,1155 13.388,1156 1.468,1157 1.485,1158 1.52,1159 1.458,1160 1.461,1161 1.94,1162 0.172,1163 4.087,1164 1.358,1165 4.001,1166 4.045,1167 3.97,1168 3.871,1169 5.259,1170 3.889,1171 3.844,1172 3.886,1173 3.802,1174 3.711,1175 5.002,1176 3.726,1177 3.726,1178 3.781,1179 3.678,1180 3.52,1181 4.873,1182 3.555,1183 3.389,1184 3.441,1185 3.261,1186 3.129,1187 4.682,1188 3.15,1189 3.255,1190 3.319,1191 3.088,1192 2.974,1193 4.575,1194 2.988,1195 3.169,1196 3.277,1197 2.991,1198 2.922,1199 4.397,1200 2.925,1201 3.023,1202 3.113,1203 2.86,1204 2.806,1205 4.03,1206 2.802,1207 2.921,1208 3.019,1209 2.788,1210 2.693,1211 3.912,1212 2.701,1213 0.159,1214 0.113,1215 0.234,1216 0.145,1217 0.11,1218 4.451,1219 0.148,1220 3.169,1221 0.041,1222 6.547,1223 0.371,1224 4.049,1225 0.106,1226 3.09,1227 4.145,1228 1.151,1229 10.398,1230 2.966,1231 1.915,1232 1.881,1233 1.988,1234 2.067,1235 1.107,1236 2.044,1237 1.788,1238 1.754,1239 1.888,1240 1.952,1241 0.936,1242 1.931,1243 1.636,1244 1.576,1245 1.779,1246 1.86,1247 0.791,1248 1.838,1249 1.3,1250 1.243,1251 1.608,1252 1.609,1253 0.644,1254 1.604,1255 1.198,1256 1.126,1257 1.567,1258 1.511,1259 0.574,1260 1.529,1261 1.14,1262 1.043,1263 1.443,1264 1.442,1265 0.501,1266 1.459,1267 1.011,1268 0.923,1269 1.304,1270 1.263,1271 0.224,1272 1.288,1273 0.858,1274 0.78,1275 1.117,1276 1.154,1277 0.169,1278 1.146,1279 4.043,1281 5.342,1283 6.838,1285 8.427,1287 10.064,1289 4.95,1293 5.776,1295 0.421,1296 3.219,1297 10.26,1305 28.74,1306 75.284,1307 172.351,1308 216.114,1309 228.869,1310 228.869,1311 228.869,1312 34.472,1313 7.108,1314 120.96,1315 120.96,1316 18,1317 12.344,1318 4.248,1319 3.322,1320 44.026,1321 88,1322 114,1323 0.236,1324 180.866,1325 303.7,1326 433.073,1327 10681,1329 18.518,1330 0.712,1331 0.566,1332 18.518,1333 14.724,1334 12.584,1335 0.449,1336 0.279,1337 7.629,1338 11.841,1339 7.36,1340 6.2,1341 12.584,1342 7.822,1343 11.1,1344 0.292,1345 0.143,1346 11.1,1347 5.451,1348 8.854,1349 0.184,1350 0.072,1351 8.854,1352 3.469,1353 7.562,1354 0.12,1355 0.037,1356 7.562,1357 2.358,1358 6.018,1359 0.074,1360 0.019,1361 6.018,1362 1.512,1363 0.363,1364 80.657,1365 0.233,1366 24.886,1367 0.672,1368 132,1369 447.342,1370 150.22,1371 427.736,1372 585.32,1373 402,1374 152,1375 430.752,1376 169.501,1377 439.701,1378 634.79,1379 407,1380 7.31}
{0 CHEMBL2165028,1 1.638,2 11.621,3 1.013,4 1.027,5 107.142,6 7.481,7 0.581,8 4.076,9 4.213,10 3.635,11 3.489,12 5.238,13 3.505,14 4.576,15 4.775,16 3.933,17 3.809,18 5.709,19 3.805,20 4.684,21 4.891,22 3.967,23 3.93,24 5.761,25 3.903,26 4.783,27 5.024,28 3.935,29 3.967,30 5.811,31 3.906,32 4.787,33 5.023,34 3.947,35 3.996,36 5.804,37 3.935,38 4.799,39 5.035,40 3.989,41 3.993,42 5.864,43 3.936,44 4.825,45 5.077,46 3.924,47 3.956,48 5.851,49 3.9,50 4.729,51 4.953,52 3.847,53 3.905,54 5.77,55 3.836,56 0.092,57 0.825,58 11.086,59 3.787,60 11,61 5.587,62 0.522,63 1.174,64 21.322,65 6.113,66 39.379,67 8.975,68 0.404,69 1.341,70 23.088,71 6.367,72 32.613,73 10.184,74 0.501,75 1.388,76 26.741,77 7.788,78 41.323,79 12.155,80 0.428,81 1.42,82 26.498,83 7.619,84 37.575,85 12.284,86 0.463,87 1.434,88 26.742,89 8.026,90 42.72,91 12.502,92 0.611,93 1.388,94 28.599,95 7.097,96 47.25,97 11.802,98 0.317,99 1.299,100 24.43,101 7.345,102 33.822,103 11.573,104 25,105 41,106 0.273,107 0.645,108 0.845,109 0.885,110 0.885,111 0.885,112 3.408,113 0.874,114 -3.69,115 -3.66,116 -3.49,119 35.8,120 1,124 2,125 3,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 8,177 2,178 3,180 3,183 1,187 5,190 2,192 3,198 2,199 5,201 1,202 4,204 4,207 2,209 2,211 1,212 4,215 1,217 1,220 3,222 1,223 1,224 6,226 1,227 4,228 2,229 2,231 1,232 3,234 1,236 4,237 5,245 1,250 2,253 1,254 1,255 3,257 1,258 1,260 1,262 5,263 3,265 1,266 3,268 2,271 1,273 1,275 1671,276 19.756,277 19.756,278 19.756,279 19.756,280 19.756,281 17.571,282 28.985,283 12.069,284 20.604,285 15.257,286 15.257,287 15.257,288 15.257,289 15.257,290 11.913,291 39.92,292 5.705,293 16.446,294 4.09,295 1.86,296 0.661,297 0.42,298 0.42,299 0.42,300 4.092,304 1,305 1,306 701,307 3.317,311 296.901,318 1.841,319 26.142,322 1,323 0.83,324 0.83,325 1,326 0.5,327 1,328 1,329 0.88,330 64,331 337,332 4.451,333 3.165,334 6.547,335 4.049,336 3.09,337 4.145,338 0.86,339 10.399,340 2.968,341 4.067,342 2.878,343 5.61,344 3.613,345 2.681,346 3.674,347 0.86,348 7.691,349 2.507,350 3.982,351 2.769,352 5.451,353 3.519,354 2.58,355 3.584,356 0.657,357 7.257,358 2.426,359 3.605,360 2.625,361 5.265,362 3.265,363 2.311,364 2.932,365 0.4,366 6.705,367 2.199,368 3.455,369 2.366,370 5.13,371 3.074,372 2.142,373 2.746,375 6.267,376 1.98,377 3.232,378 2.22,379 4.833,380 2.797,381 1.879,382 2.481,384 5.25,385 1.722,386 3.159,387 2.085,388 4.618,389 2.715,390 1.791,391 2.397,393 4.963,394 1.65,395 2.74,396 1.882,397 3.952,398 2.612,399 1.699,400 1.743,402 3.38,403 1.544,404 2.55,405 1.558,406 3.723,407 2.001,408 1.066,409 1.575,411 2.927,412 0.995,413 2.5,414 1.135,415 3.414,416 1.959,417 1.056,418 1.5,420 2.275,421 0.957,422 2.118,423 1.066,424 3.195,425 1.931,426 1,427 1.104,428 1.979,429 0.918,430 1.778,431 1,432 3.022,433 1.484,434 0.618,435 0.692,436 1.15,437 0.531,438 1.503,439 0.703,440 2.751,441 1.245,442 0.343,443 0.381,445 0.614,446 0.308,447 1.175,448 0.372,449 2.562,450 0.962,451 0.051,452 0.056,454 0.094,455 0.046,456 1,457 -0.005,458 2.434,459 0.573,460 -0.347,461 -0.445,463 -0.757,464 -0.317,465 13.367,466 0.461,467 0.588,468 0.02,469 39.75,470 1.371,471 19.5,472 0.672,473 20.25,474 0.698,475 21.836,476 0.753,477 32.233,478 0.608,479 30.964,480 1.068,481 8.22,482 0.283,483 5.864,484 0.202,485 0.142,487 0.299,493 1.023,494 1.642,495 0.809,496 1.278,497 1.05,498 1.033,499 1.228,500 0.947,501 0.863,502 0.805,503 0.857,504 0.79,505 1.071,506 1.279,507 1.005,508 1.047,509 0.995,510 1.008,511 0.831,512 0.977,513 0.94,514 0.968,515 0.824,516 0.97,517 0.825,518 1.169,519 0.942,520 1.022,521 0.99,522 0.996,523 0.709,524 1.069,525 0.905,526 1.07,527 0.79,528 1.026,529 1.025,530 0.933,531 1.021,532 0.85,533 1.057,534 0.903,535 0.863,536 1.375,537 1.076,538 1.362,539 1.004,540 1.266,541 6,542 0.186,543 2.222,544 1.5,545 1.529,546 0.889,547 0.609,548 0.535,549 0.345,550 0.235,551 10117,552 29354,553 2.033,554 45.3,556 15,558 2,559 4,560 3,564 1.725,565 1.912,566 3.463,567 1.731,568 1,569 1,573 86.83,574 1.638,575 3.868,576 5.067,577 5.308,578 5.308,579 5.308,580 3.056,581 4.444,582 4.818,583 3.648,584 1480.96,585 8.432,586 20370.7,588 1,591 303.58,592 1.358,593 4.792,594 0.194,595 0.008,596 0.054,597 0.036,598 0.038,599 0.022,600 0.014,601 0.014,602 0.01,603 0.008,604 0.397,605 0.17,606 0.88,607 1.498,608 147.554,609 -0.12,610 -0.349,611 0.045,612 -0.158,613 -0.148,614 -0.037,616 0.15,617 0.105,618 0.194,619 0.158,620 0.157,621 -0.136,622 -0.137,623 -0.078,624 -0.042,625 -0.104,626 -0.047,627 0.011,628 0.079,629 0.008,630 0.027,631 0.048,632 0.013,633 -0.049,634 -0.099,635 -0.009,636 -0.007,637 -0.092,639 0.083,640 0.008,641 0.031,642 -0.065,643 0.1,644 -0.038,645 -0.078,646 0.104,647 -0.045,648 0.089,649 -0.082,650 0.044,651 -0.052,652 -0.296,653 -0.151,654 -0.337,655 -0.067,656 -0.271,657 1.506,658 1.83,659 0.621,660 32.685,661 1.01,662 1.146,663 2.465,664 6.075,665 0.642,666 3.466,667 3.738,668 3.951,669 4.205,670 4.454,671 4.533,672 4.644,673 4.771,674 4.86,675 4.898,676 6.808,677 0.619,678 396.51,679 3.466,680 4.977,681 5.796,682 6.653,683 7.496,684 8.364,685 9.22,686 10.095,687 10.958,688 11.837,689 15.1,691 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 53,733 18,735 31,737 55,738 19,739 13,746 3,747 3,752 1,761 13,762 6,778 1,781 24,782 10,783 4,784 10,790 8,794 1,795 2,805 2,812 3,835 1,839 1,840 3,844 3,848 29,849 1,854 3,855 2,856 2,870 3.8,874 1,875 1,877 15.167,878 10.333,879 6.639,880 2.811,881 3.252,882 1.446,883 0.957,884 7.248,885 10.535,886 3.714,887 4.284,888 4.822,889 5.399,890 5.978,891 6.196,892 6.568,893 6.98,894 7.349,895 7.643,896 1,897 42,898 10.606,900 4.255,901 7.736,902 20.024,904 15.234,905 2.236,906 64.833,910 235.422,911 108.744,912 152.846,914 22,917 108.744,918 257.422,919 152.846,920 30.591,921 8.804,922 79.337,923 118.47,924 60.889,925 9.042,926 211.88,928 235.422,929 261.59,930 22,933 240.078,934 11,935 11,937 73.644,938 99.362,939 83.928,941 235.422,942 174.846,943 108.744,946 235.422,947 31.629,948 77.115,949 36.022,950 138.825,951 235.422,952 174.846,953 108.744,955 0.561,956 0.315,957 0.17,958 0.097,959 17,960 8,961 0.164,962 9,964 1,965 4.044,966 243.719,968 18,969 140.881,974 20.866,975 10.073,976 5.81,978 174.846,979 9.045,980 21.533,984 4.704,986 68.919,987 519.012,988 40,999 53.538,1000 60.727,1001 0.286,1002 0.675,1003 0.885,1004 0.927,1005 0.927,1006 0.927,1007 4.916,1008 1.699,1009 5.753,1010 4.963,1011 4.419,1012 4.97,1013 1.638,1014 6.503,1015 4.286,1016 6.102,1017 1.066,1018 7.268,1019 3.38,1020 3.892,1021 4.691,1023 7.261,1024 3.73,1025 7.388,1026 1.056,1027 8.878,1028 2.927,1029 5.948,1030 7.128,1031 1.284,1032 10.345,1033 5.708,1034 8.71,1035 1,1036 10.546,1037 2.275,1038 6.217,1039 7.625,1041 11.943,1042 5.952,1043 10.06,1044 0.618,1045 12.252,1046 1.979,1047 7.731,1048 9.547,1049 1.025,1050 14.548,1051 7.403,1052 11.432,1053 0.343,1054 13.985,1055 1.15,1056 8.401,1057 10.43,1059 16.544,1060 8.047,1061 12.82,1062 0.051,1063 15.74,1064 0.614,1065 9.678,1066 12.11,1067 0.819,1068 18.977,1069 9.271,1070 3.09,1071 -0.347,1072 17.512,1073 0.094,1074 10.561,1075 13.21,1077 21.164,1078 10.125,1079 2.681,1080 10.399,1081 19.3,1082 -0.757,1083 11.732,1084 14.761,1085 0.65,1086 23.534,1087 11.251,1088 2.58,1089 7.691,1090 21.1,1091 4.145,1092 12.726,1093 15.987,1095 25.808,1096 12.214,1097 2.311,1098 7.257,1099 22.912,1100 3.674,1101 13.854,1102 17.469,1103 0.511,1104 28.157,1105 13.302,1106 2.142,1107 6.705,1108 24.734,1109 3.584,1110 14.906,1111 18.77,1113 30.468,1114 14.321,1115 1.879,1116 6.267,1117 26.564,1118 2.932,1119 16.02,1120 20.214,1121 0.399,1122 32.811,1123 15.396,1124 1.791,1125 5.25,1126 28.402,1127 2.746,1128 17.103,1129 21.56,1131 35.139,1132 16.444,1133 10073,1134 17311,1135 20.572,1136 34.046,1137 44.729,1138 45.508,1139 46.248,1140 44.532,1141 44.616,1142 58.019,1143 5.555,1144 121.903,1145 41.501,1146 5.328,1147 5.165,1148 6.483,1149 5.149,1150 5.09,1151 7.145,1152 1.72,1153 17.286,1154 4.917,1155 14.63,1156 1.443,1157 1.468,1158 1.492,1159 1.437,1160 1.439,1161 1.872,1162 0.179,1163 3.932,1164 1.339,1165 4.006,1166 4.051,1167 3.973,1168 3.875,1169 5.259,1170 3.893,1171 3.844,1172 3.886,1173 3.802,1174 3.712,1175 5.001,1176 3.726,1177 3.739,1178 3.803,1179 3.685,1180 3.529,1181 4.861,1182 3.562,1183 3.595,1184 3.658,1185 3.458,1186 3.36,1187 4.671,1188 3.373,1189 3.31,1190 3.374,1191 3.176,1192 3.065,1193 4.638,1194 3.079,1195 3.231,1196 3.306,1197 3.051,1198 2.967,1199 4.41,1200 2.974,1201 3.168,1202 3.276,1203 2.99,1204 2.905,1205 4.172,1206 2.912,1207 3.037,1208 3.13,1209 2.852,1210 2.812,1211 4.029,1212 2.802,1213 0.144,1214 0.102,1215 0.211,1216 0.131,1217 0.1,1218 4.451,1219 0.134,1220 3.165,1221 0.028,1222 6.547,1223 0.335,1224 4.049,1225 0.096,1226 3.09,1227 4.145,1228 0.86,1229 10.399,1230 2.968,1231 1.919,1232 1.884,1233 1.999,1234 2.071,1235 1.154,1236 2.05,1237 1.79,1238 1.756,1239 1.897,1240 1.953,1241 1.01,1242 1.934,1243 1.653,1244 1.588,1245 1.819,1246 1.893,1247 0.929,1248 1.875,1249 1.524,1250 1.46,1251 1.749,1252 1.778,1253 0.788,1254 1.77,1255 1.242,1256 1.175,1257 1.575,1258 1.548,1259 0.623,1260 1.554,1261 1.187,1262 1.109,1263 1.549,1264 1.493,1265 0.572,1266 1.513,1267 1.132,1268 1.033,1269 1.449,1270 1.441,1271 0.546,1272 1.458,1273 1.037,1274 0.944,1275 1.345,1276 1.29,1277 0.237,1278 1.324,1279 4.143,1281 5.425,1283 6.901,1285 8.472,1287 10.096,1289 5.011,1293 5.83,1295 2.002,1296 6.553,1297 10.155,1305 32.815,1306 86.83,1307 205.002,1308 268.56,1309 281.315,1310 281.315,1311 281.315,1312 42.517,1313 7.283,1314 132.99,1315 132.99,1316 18,1317 12.377,1318 4.248,1319 3.322,1320 52.133,1321 109,1322 154,1323 0.22,1324 206.845,1325 349.3,1326 496.462,1327 13295,1329 20.64,1330 0.712,1331 0.574,1332 20.64,1333 16.638,1334 14.084,1335 0.454,1336 0.291,1337 8.813,1338 13.261,1339 8.533,1340 7.169,1341 14.084,1342 9.029,1343 12.161,1344 0.297,1345 0.151,1346 12.161,1347 6.188,1348 9.623,1349 0.189,1350 0.078,1351 9.623,1352 3.97,1353 8.013,1354 0.121,1355 0.04,1356 8.013,1357 2.616,1358 6.424,1359 0.076,1360 0.02,1361 6.424,1362 1.725,1363 0.342,1364 90.157,1365 0.22,1366 27.604,1367 0.612,1368 144,1369 473.675,1370 163.607,1371 452.526,1372 618.12,1373 426,1374 164,1375 451.878,1376 182.723,1377 460.197,1378 663.61,1379 427,1380 6.553}
{0 CHEMBL2165029,1 1.656,2 10.724,3 1.456,4 2.121,5 106.353,6 7.735,7 0.563,8 4.061,9 4.191,10 3.661,11 3.489,12 5.207,13 3.514,14 4.582,15 4.77,16 4,17 3.836,18 5.715,19 3.847,20 4.731,21 4.936,22 4.026,23 3.979,24 5.787,25 3.96,26 4.764,27 4.98,28 3.976,29 4.022,30 5.8,31 3.96,32 4.833,33 5.077,34 3.998,35 4.034,36 5.847,37 3.97,38 4.79,39 5.019,40 4.026,41 3.973,42 5.85,43 3.935,44 4.753,45 4.987,46 3.973,47 3.917,48 5.832,49 3.895,50 4.751,51 4.981,52 3.925,53 3.935,54 5.782,55 3.886,56 0.097,57 0.826,58 10.14,59 3.694,60 9.772,61 5.184,62 0.515,63 1.219,64 20.415,65 6.061,66 36.598,67 8.55,68 0.529,69 1.411,70 23.77,71 6.591,72 32.931,73 9.901,74 0.411,75 1.45,76 24.297,77 8.216,78 34.179,79 12.101,80 0.495,81 1.488,82 27.515,83 8.407,84 40.871,85 13.002,86 0.493,87 1.438,88 26.059,89 7.567,90 40.631,91 11.736,92 0.592,93 1.401,94 24.974,95 5.789,96 43.117,97 9.465,98 0.545,99 1.343,100 25.065,101 7.044,102 36.296,103 10.924,104 11,105 44,106 0.277,107 0.641,108 0.817,109 0.839,110 0.846,111 0.846,112 3.409,113 0.863,114 -3.69,115 -3.66,116 -3.49,119 37.3,120 1,124 1,125 4,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 8,177 2,178 3,180 2,186 2,187 6,190 1,192 2,198 2,199 3,201 1,202 3,204 2,207 2,209 2,211 3,212 4,215 2,217 1,220 3,222 1,223 2,224 5,226 1,227 2,228 1,229 1,231 1,232 1,236 4,237 5,239 1,240 1,249 3,250 3,253 1,255 1,258 1,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 1553,276 19.834,277 19.834,278 19.834,279 19.834,280 19.834,281 17.673,282 29.843,283 11.796,284 20.688,285 15.78,286 15.78,287 15.78,288 15.78,289 15.78,290 12.466,291 42.901,292 5.594,293 17.067,294 4.016,295 1.844,296 0.79,297 0.657,298 0.618,299 0.618,300 4.107,304 1,305 1,306 672,307 2.55,311 382.216,318 1.546,319 26.233,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64,331 311,332 4.464,333 3.222,334 6.565,335 4.07,336 3.113,337 4.153,338 0.86,339 10.463,340 2.98,341 4.08,342 3.009,343 6.095,344 3.701,345 2.774,346 3.68,347 0.86,348 8.899,349 2.574,350 4.027,351 2.876,352 5.604,353 3.611,354 2.675,355 3.602,356 0.8,357 7.675,358 2.507,359 3.793,360 2.715,361 5.422,362 3.419,363 2.496,364 3.089,365 0.4,366 7.118,367 2.3,368 3.468,369 2.418,370 5.143,371 3.089,372 2.165,373 2.755,375 6.331,376 1.988,377 3.232,378 2.273,379 4.842,380 2.8,381 1.879,382 2.481,384 5.288,385 1.731,386 3.195,387 2.085,388 4.618,389 2.789,390 1.869,391 2.433,393 4.963,394 1.711,395 2.949,396 1.89,397 4.47,398 2.655,399 1.733,400 2.006,402 4.519,403 1.594,404 2.55,405 1.532,406 3.941,407 2.04,408 1.159,409 1.575,411 2.949,412 1.014,413 2.5,414 1.256,415 3.51,416 1.997,417 1.058,418 1.5,420 2.683,421 0.989,422 2.262,423 1.124,424 3.414,425 1.959,426 1,427 1.248,428 2.275,429 0.957,430 2,431 1.066,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.764,439 1,440 3.095,441 1.463,442 0.603,443 0.675,445 1.1,446 0.515,447 1.398,448 0.42,449 2.754,450 1.077,451 0.171,452 0.202,454 0.365,455 0.154,456 1,457 -0.11,458 2.592,459 0.573,460 -0.347,461 -0.445,463 -0.786,464 -0.317,465 13.367,466 0.461,467 0.639,468 0.022,469 41,470 1.414,471 20,472 0.69,473 21,474 0.724,475 21.867,476 0.754,477 31.633,478 0.62,479 31.133,480 1.074,481 8.222,482 0.284,483 5.896,484 0.203,485 0.105,487 0.329,493 0.997,494 1.651,495 0.757,496 1.261,497 1.015,498 0.999,499 1.21,500 1.009,501 0.84,502 0.84,503 0.783,504 0.795,505 1.213,506 1.072,507 1.042,508 0.89,509 1.031,510 0.917,511 0.713,512 1.142,513 0.989,514 1.172,515 0.777,516 1.14,517 0.65,518 1.018,519 0.88,520 0.993,521 0.906,522 0.972,523 0.826,524 1.203,525 0.866,526 1.038,527 0.84,528 0.97,529 1.143,530 0.981,531 1.13,532 0.866,533 1.227,534 0.94,535 0.918,536 1.019,537 1.034,538 0.998,539 0.935,540 1.014,541 6,542 0.169,543 2.667,544 1.563,545 1.44,546 1.104,547 0.567,548 0.564,549 0.394,550 0.188,551 10336,552 29225,553 2.111,554 43.1,556 14,558 2,559 3,560 3,564 1.726,565 2,566 3.345,567 0.994,568 1,569 1,573 84.476,574 1.656,575 3.829,576 4.883,577 5.015,578 5.055,579 5.055,580 2.85,581 4.306,582 4.824,583 3.514,584 1426.75,585 8.445,586 19170,588 1,590 1,591 289.294,592 1.314,593 4.8,594 0.188,595 0.008,596 0.061,597 0.035,598 0.034,599 0.026,600 0.013,601 0.014,602 0.01,603 0.006,604 0.394,605 0.33,606 0.88,607 0.674,608 145.869,609 -0.114,610 -0.392,611 0.062,612 -0.178,613 -0.134,614 -0.041,615 -0.004,616 0.089,617 0.106,618 0.142,619 0.192,620 0.131,621 -0.197,622 0.039,623 -0.113,624 0.079,625 -0.139,626 0.013,627 0.017,628 -0.059,629 -0.087,630 -0.137,631 0.03,632 -0.14,633 0.072,634 0.012,635 0.06,636 0.008,637 -0.015,638 0.029,639 0.046,640 -0.164,641 0.083,642 -0.055,643 0.084,644 0.004,645 -0.176,646 0.134,647 -0.177,648 0.018,649 -0.216,650 -0.052,651 -0.012,652 0.035,653 -0.087,654 -0.029,655 -0.005,656 -0.056,657 1.499,658 1.948,659 0.828,660 28.195,661 1.013,662 1.143,663 2.465,664 6.075,665 0.653,666 3.497,667 3.807,668 4.06,669 4.331,670 4.595,671 4.673,672 4.82,673 4.984,674 5.094,675 5.176,676 6.346,677 0.633,678 394.49,679 3.497,680 5.03,681 5.872,682 6.744,683 7.603,684 8.482,685 9.35,686 10.234,687 11.107,688 11.993,689 15.7,693 1,695 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,726 1,729 1,731 51,733 18,735 32,737 54,738 19,739 13,746 4,747 4,752 1,761 13,762 6,778 1,781 22,782 10,783 3,784 10,790 8,794 1,795 2,805 2,812 4,839 1,840 4,844 2,848 29,849 1,854 4,855 1,856 2,859 1,870 3.9,874 1,875 1,877 14.5,878 9.783,879 6.417,880 2.853,881 3.123,882 1.416,883 0.985,884 5.809,885 10.639,886 3.738,887 4.324,888 4.877,889 5.454,890 6.034,891 6.277,892 6.671,893 7.098,894 7.473,895 7.801,896 1,897 45,898 10.635,900 4.409,901 7.701,902 20.208,904 15.996,905 2.201,906 63.833,910 223.651,911 102.025,912 137.96,914 22,917 102.025,918 245.651,919 137.96,920 19.708,921 13.396,922 61.326,923 118.47,924 63.585,925 9.042,926 200.109,928 223.651,929 239.984,930 22,933 228.307,934 11,935 11,937 60.226,938 91.175,939 83.928,941 223.651,942 159.96,943 102.025,946 223.651,947 35.793,948 69.356,949 18.011,950 138.825,951 223.651,952 159.96,953 102.025,955 0.575,956 0.331,957 0.182,958 0.103,959 21,960 9,961 0.093,962 5,964 1,965 4.032,966 258.886,968 24,969 136.881,974 19.459,975 8.658,976 4.594,978 159.96,979 9.139,980 21.697,984 4.758,986 50.908,987 485.635,988 41,999 51.654,1000 58.312,1001 0.292,1002 0.675,1003 0.861,1004 0.884,1005 0.891,1006 0.891,1007 4.966,1008 1.733,1009 5.844,1010 4.963,1011 4.489,1012 5.011,1013 1.656,1014 6.624,1015 4.345,1016 6.156,1017 1.159,1018 7.378,1019 4.519,1020 4.007,1021 4.745,1022 0.325,1023 7.434,1024 3.817,1025 7.45,1026 1.058,1027 9.009,1028 2.949,1029 6.052,1030 7.165,1031 1.308,1032 10.524,1033 5.785,1034 8.776,1035 1,1036 10.695,1037 2.683,1038 6.365,1039 7.674,1040 0.268,1041 12.162,1042 6.057,1043 10.131,1044 1,1045 12.419,1046 2.275,1047 7.874,1048 9.582,1049 1.064,1050 14.763,1051 7.501,1052 11.507,1053 0.603,1054 14.169,1055 2.136,1056 8.574,1057 10.475,1058 0.188,1059 16.775,1060 8.165,1061 12.899,1062 0.171,1063 15.939,1064 1.1,1065 9.849,1066 12.145,1067 0.862,1068 19.199,1069 9.383,1070 3.113,1071 -0.347,1072 17.725,1073 0.365,1074 10.749,1075 13.251,1076 0.125,1077 21.384,1078 10.248,1079 2.774,1080 10.463,1081 19.524,1082 -0.786,1083 11.921,1084 14.796,1085 0.69,1086 23.745,1087 11.37,1088 2.675,1089 8.899,1090 21.333,1091 4.153,1092 12.924,1093 16.027,1094 0.082,1095 26.01,1096 12.337,1097 2.496,1098 7.675,1099 23.151,1100 3.68,1101 14.053,1102 17.505,1103 0.544,1104 28.35,1105 13.422,1106 2.165,1107 7.118,1108 24.977,1109 3.602,1110 15.109,1111 18.808,1112 0.054,1113 30.654,1114 14.441,1115 1.879,1116 6.331,1117 26.809,1118 3.089,1119 16.224,1120 20.251,1121 0.424,1122 32.99,1123 15.515,1124 1.869,1125 5.288,1126 28.647,1127 2.755,1128 17.309,1129 21.599,1130 0.035,1131 35.312,1132 16.562,1133 9877,1134 16762,1135 21.671,1136 33.284,1137 47.487,1138 48.066,1139 48.444,1140 47.344,1141 47.386,1142 60.797,1143 5.84,1144 133.528,1145 43.919,1146 5.464,1147 5.222,1148 6.367,1149 5.173,1150 5.113,1151 7.153,1152 1.72,1153 17.353,1154 4.927,1155 12.393,1156 1.484,1157 1.502,1158 1.514,1159 1.48,1160 1.481,1161 1.9,1162 0.183,1163 4.173,1164 1.372,1165 4.013,1166 4.06,1167 3.98,1168 3.871,1169 5.259,1170 3.892,1171 3.847,1172 3.888,1173 3.803,1174 3.711,1175 5.001,1176 3.727,1177 3.78,1178 3.844,1179 3.718,1180 3.554,1181 4.866,1182 3.587,1183 3.622,1184 3.674,1185 3.531,1186 3.421,1187 4.676,1188 3.44,1189 3.27,1190 3.331,1191 3.128,1192 2.995,1193 4.6,1194 3.016,1195 3.171,1196 3.278,1197 2.994,1198 2.941,1199 4.404,1200 2.94,1201 3.111,1202 3.206,1203 2.913,1204 2.941,1205 4.03,1206 2.91,1207 3.025,1208 3.099,1209 2.866,1210 2.802,1211 3.982,1212 2.816,1213 0.139,1214 0.101,1215 0.205,1216 0.127,1217 0.097,1218 4.464,1219 0.13,1220 3.222,1221 0.027,1222 6.565,1223 0.327,1224 4.07,1225 0.093,1226 3.113,1227 4.153,1228 0.86,1229 10.463,1230 2.98,1231 1.917,1232 1.879,1233 2.001,1234 2.081,1235 1.226,1236 2.059,1237 1.792,1238 1.757,1239 1.91,1240 1.96,1241 1.005,1242 1.947,1243 1.689,1244 1.628,1245 1.841,1246 1.937,1247 0.905,1248 1.908,1249 1.549,1250 1.493,1251 1.724,1252 1.766,1253 0.825,1254 1.753,1255 1.205,1256 1.135,1257 1.569,1258 1.518,1259 0.763,1260 1.533,1261 1.153,1262 1.064,1263 1.513,1264 1.442,1265 0.575,1266 1.459,1267 1.144,1268 1.05,1269 1.432,1270 1.376,1271 0.356,1272 1.429,1273 0.964,1274 0.893,1275 1.181,1276 1.228,1277 0.213,1278 1.219,1279 4.174,1281 5.485,1283 6.995,1285 8.593,1287 10.236,1289 3.355,1293 5.858,1295 2.971,1296 3.278,1297 10.559,1300 2.218,1305 32.288,1306 84.476,1307 195.262,1308 249.029,1309 255.784,1310 257.784,1311 257.784,1312 37.092,1313 7.515,1314 124.2,1315 124.2,1316 24,1317 12.527,1318 4.248,1319 3.322,1320 44.346,1321 103,1322 138,1323 0.198,1324 199.452,1325 336.94,1326 478.422,1327 17290,1329 20.217,1330 0.697,1331 0.562,1332 20.217,1333 16.292,1334 14.119,1335 0.441,1336 0.288,1337 8.992,1338 13.291,1339 8.775,1340 7.267,1341 14.119,1342 9.205,1343 12.603,1344 0.286,1345 0.147,1346 12.603,1347 6.468,1348 10.405,1349 0.183,1350 0.078,1351 10.405,1352 4.463,1353 8.868,1354 0.118,1355 0.041,1356 8.868,1357 3.053,1358 7.232,1359 0.074,1360 0.021,1361 7.232,1362 2.02,1363 0.305,1364 90.231,1365 0.215,1366 27.278,1367 0.565,1368 152,1369 486.987,1370 173.299,1371 463.586,1372 641.9,1373 438,1374 177,1375 480.478,1376 197.802,1377 483.626,1378 705.58,1379 453,1380 7.658}
{0 CHEMBL2165030,1 1.637,2 10.724,3 1.913,4 3.66,5 107.286,6 7.83,7 0.563,8 4.036,9 4.159,10 3.645,11 3.512,12 5.202,13 3.528,14 4.54,15 4.714,16 3.983,17 3.861,18 5.703,19 3.86,20 4.673,21 4.862,22 4.009,23 3.986,24 5.757,25 3.962,26 4.721,27 4.93,28 3.965,29 4.01,30 5.787,31 3.951,32 4.783,33 5.014,34 3.984,35 4.026,36 5.818,37 3.966,38 4.768,39 4.995,40 4.014,41 3.983,42 5.847,43 3.94,44 4.717,45 4.943,46 3.951,47 3.935,48 5.802,49 3.905,50 4.706,51 4.923,52 3.911,53 3.942,54 5.771,55 3.887,56 0.082,57 0.8,58 9.527,59 3.886,60 9.996,61 5.072,62 0.453,63 1.195,64 18.86,65 6.589,66 35.623,67 8.607,68 0.357,69 1.384,70 21.261,71 6.951,72 29.36,73 9.677,74 0.381,75 1.431,76 22.699,77 8.037,78 33.685,79 11.345,80 0.386,81 1.477,82 25.329,83 8.172,84 37.854,85 12.18,86 0.46,87 1.447,88 25.214,89 7.955,90 41.379,91 11.663,92 0.502,93 1.405,94 23.506,95 6.218,96 40.254,97 9.348,98 0.434,99 1.333,100 23.145,101 7.508,102 35.03,103 10.914,104 11,105 44,106 0.274,107 0.664,108 0.863,109 0.886,110 0.886,111 0.886,112 3.409,113 0.858,114 -4.58,115 -4.5,116 -4.24,119 40,120 1,121 1,124 1,125 2,135 1,136 1,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 6,174 4,175 10,177 2,178 3,180 2,183 5,187 7,190 1,192 2,195 3,198 2,199 8,201 1,202 3,204 3,207 4,209 2,211 1,212 6,215 1,217 2,220 3,222 1,223 2,224 10,226 1,227 2,228 1,229 4,231 1,232 3,234 1,236 3,237 5,242 1,245 3,247 1,249 2,250 5,253 1,255 3,258 6,260 3,262 3,263 5,265 1,266 1,268 1,271 3,273 1,275 1553,276 19.834,277 19.834,278 19.834,279 19.834,280 19.834,281 17.426,282 25.226,283 11.796,284 20.571,285 15.78,286 15.78,287 15.78,288 15.78,289 15.78,290 12.084,291 32.611,292 5.594,293 16.868,294 4.007,295 1.673,296 0.485,297 0.35,298 0.35,299 0.35,300 4.107,304 1,305 1,306 672,307 2.55,311 382.216,318 1.546,319 25.862,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 63.5,331 311,332 4.476,333 3.185,334 6.565,335 4.079,336 3.113,337 4.17,338 1.151,339 10.463,340 3.013,341 4.14,342 2.967,343 6.095,344 3.748,345 2.774,346 3.715,347 0.86,348 8.899,349 2.703,350 4.052,351 2.876,352 5.604,353 3.612,354 2.675,355 3.634,356 0.4,357 7.675,358 2.507,359 3.876,360 2.717,361 5.422,362 3.426,363 2.496,364 3.309,366 7.118,367 2.316,368 3.472,369 2.431,370 5.143,371 3.09,372 2.165,373 2.76,375 6.331,376 1.989,377 3.232,378 2.285,379 4.842,380 2.805,381 1.879,382 2.484,384 5.288,385 1.745,386 3.232,387 2.085,388 4.618,389 2.793,390 1.869,391 2.481,393 4.963,394 1.717,395 3.041,396 1.889,397 4.47,398 2.66,399 1.733,400 2.179,402 4.519,403 1.602,404 2.55,405 1.547,406 3.941,407 2.065,408 1.159,409 1.575,411 2.949,412 1.037,413 2.5,414 1.455,415 3.51,416 1.998,417 1.058,418 1.5,420 2.683,421 0.991,422 2.399,423 1.124,424 3.414,425 1.969,426 1,427 1.345,428 2.275,429 0.963,430 2.057,431 1.066,432 3.247,433 1.959,434 1,435 1.034,436 2.136,437 0.957,438 1.769,439 1,440 3.095,441 1.465,442 0.603,443 0.677,445 1.1,446 0.516,447 1.413,448 0.413,449 2.754,450 1.082,451 0.171,452 0.204,454 0.365,455 0.155,456 1,457 -0.111,458 2.592,459 0.573,460 -0.347,461 -0.445,463 -0.786,464 -0.317,465 13.467,466 0.464,467 0.639,468 0.022,469 41.25,470 1.422,471 21,472 0.724,473 20.25,474 0.698,475 21.644,476 0.746,477 30.933,478 0.619,479 31.356,480 1.081,481 8.278,482 0.285,483 5.84,484 0.201,485 0.104,487 0.334,493 0.973,494 1.459,495 0.75,496 1.155,497 1.034,498 0.943,499 1.124,500 0.916,501 0.811,502 0.841,503 0.78,504 0.803,505 1.141,506 1.177,507 1.01,508 0.992,509 1.022,510 0.971,511 0.744,512 1.082,513 1.004,514 1.11,515 0.805,516 1.104,517 0.721,518 1.126,519 0.908,520 1.012,521 0.933,522 0.983,523 0.812,524 1.114,525 0.859,526 0.98,527 0.817,528 0.935,529 1.134,530 0.963,531 1.114,532 0.846,533 1.208,534 0.919,535 0.828,536 1.091,537 0.999,538 1.069,539 0.904,540 1.054,541 6,542 0.169,543 2.667,544 1.563,545 1.44,546 1.104,547 0.567,548 0.564,549 0.394,550 0.188,551 10336,552 29310,553 2.111,554 42,556 11,558 2,559 3,560 3,561 2,564 1.726,565 2,566 3.345,567 0.96,568 1,569 1,573 81.864,574 1.637,575 3.971,576 5.159,577 5.294,578 5.294,579 5.294,580 2.85,581 4.306,582 4.824,583 3.514,584 1426.75,585 8.445,586 19170,588 1,590 1,591 282.193,592 1.314,593 4.8,594 0.188,595 0.008,596 0.061,597 0.035,598 0.034,599 0.026,600 0.013,601 0.014,602 0.01,603 0.006,604 0.394,605 0.17,606 1,607 0.674,608 145.869,609 -0.104,610 -0.254,611 0.052,612 -0.108,613 -0.159,614 -0.01,615 0.059,616 0.162,617 0.114,618 0.155,619 0.198,620 0.129,621 -0.204,622 -0.073,623 -0.109,624 -0.01,625 -0.15,626 -0.035,627 0.01,628 -0.008,629 -0.102,630 -0.111,631 0.01,632 -0.132,634 -0.091,635 0.027,636 -0.026,637 -0.045,638 0.004,639 0.063,640 -0.088,641 0.096,642 -0.009,643 0.11,644 0.034,645 -0.193,646 0.15,647 -0.17,648 0.051,649 -0.22,650 -0.023,651 0.038,652 -0.053,653 -0.063,654 -0.084,655 0.034,656 -0.085,657 1.5,658 1.913,659 0.828,660 28.195,661 1.011,662 1.136,663 3.349,664 11.217,665 0.666,666 3.497,667 3.807,668 4.06,669 4.331,670 4.595,671 4.673,672 4.82,673 4.984,674 5.094,675 5.176,676 6.346,677 0.645,678 391.48,679 3.497,680 5.03,681 5.872,682 6.744,683 7.603,684 8.482,685 9.35,686 10.234,687 11.107,688 11.993,689 14,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 50,733 19,735 32,737 53,738 20,739 13,742 2,746 4,747 4,752 1,755 1,758 1,761 15,762 5,766 1,773 1,775 1,778 1,781 21,782 9,783 3,784 9,790 7,794 1,795 2,805 2,812 4,831 1,832 1,839 1,840 4,844 2,848 29,849 1,854 3,855 1,856 2,870 4,874 1,875 1,877 14.5,878 9.667,879 6.417,880 2.79,881 3.217,882 1.428,883 0.992,884 5.653,885 10.732,886 3.761,887 4.363,888 4.929,889 5.506,890 6.086,891 6.351,892 6.764,893 7.204,894 7.584,895 7.937,896 1,897 45,898 10.628,900 4.414,901 7.707,902 20.166,904 15.984,905 2.207,906 64,910 211.88,911 113.438,912 134.836,914 22,917 113.438,918 233.88,919 134.836,920 19.708,921 11.719,922 70.802,923 118.47,924 64.075,925 9.042,926 188.338,928 211.88,929 248.274,930 22,933 192.993,934 34.542,935 11,937 58.549,938 91.665,939 93.404,941 211.88,942 156.835,943 113.438,946 211.88,947 37.73,948 75.708,949 18.011,950 138.825,951 211.88,952 156.835,953 113.438,955 0.575,956 0.331,957 0.182,958 0.103,959 21,960 9,961 0.094,962 5,964 1,965 4.032,966 258.886,968 24,969 140.881,974 19.248,975 8.517,976 4.504,978 156.835,979 9.148,980 21.694,984 4.781,986 50.908,987 482.154,988 42,995 2.067,997 1.182,999 50.552,1000 56.813,1001 0.29,1002 0.704,1003 0.914,1004 0.938,1005 0.938,1006 0.938,1007 4.987,1008 1.733,1009 5.844,1010 4.963,1011 4.489,1012 5.05,1013 1.695,1014 6.624,1015 4.37,1016 6.19,1017 1.159,1018 7.378,1019 4.519,1020 4.007,1021 4.796,1023 7.434,1024 3.864,1025 7.491,1026 1.058,1027 9.009,1028 2.949,1029 6.052,1030 7.226,1031 1.732,1032 10.524,1033 5.843,1034 8.824,1035 1,1036 10.695,1037 2.683,1038 6.365,1039 7.747,1041 12.162,1042 6.143,1043 10.187,1044 1,1045 12.419,1046 2.275,1047 7.874,1048 9.655,1049 1.866,1050 14.763,1051 7.595,1052 11.569,1053 0.603,1054 14.169,1055 2.136,1056 8.574,1057 10.559,1059 16.775,1060 8.286,1061 12.967,1062 0.171,1063 15.939,1064 1.1,1065 9.849,1066 12.225,1067 2.048,1068 19.199,1069 9.514,1070 3.113,1071 -0.347,1072 17.725,1073 0.365,1074 10.749,1075 13.341,1077 21.384,1078 10.401,1079 2.774,1080 10.463,1081 19.524,1082 -0.786,1083 11.921,1084 14.88,1085 2.261,1086 23.745,1087 11.533,1088 2.675,1089 8.899,1090 21.333,1091 4.17,1092 12.924,1093 16.118,1095 26.01,1096 12.518,1097 2.496,1098 7.675,1099 23.151,1100 3.715,1101 14.053,1102 17.592,1103 2.495,1104 28.35,1105 13.613,1106 2.165,1107 7.118,1108 24.977,1109 3.634,1110 15.109,1111 18.901,1113 30.654,1114 14.647,1115 1.879,1116 6.331,1117 26.809,1118 3.309,1119 16.224,1120 20.342,1121 2.743,1122 32.99,1123 15.73,1124 1.869,1125 5.288,1126 28.647,1127 2.76,1128 17.309,1129 21.693,1131 35.312,1132 16.789,1133 9877,1134 16783,1135 21.671,1136 33.279,1137 47.67,1138 48.234,1139 48.444,1140 47.338,1141 47.386,1142 62.135,1143 4.822,1144 133.528,1145 44.425,1146 5.396,1147 5.185,1148 6.367,1149 5.179,1150 5.113,1151 7.17,1152 2.302,1153 17.353,1154 4.968,1155 12.393,1156 1.49,1157 1.507,1158 1.514,1159 1.479,1160 1.481,1161 1.942,1162 0.151,1163 4.173,1164 1.388,1165 4.023,1166 4.063,1167 3.989,1168 3.912,1169 5.259,1170 3.924,1171 3.852,1172 3.889,1173 3.804,1174 3.728,1175 5.002,1176 3.74,1177 3.798,1178 3.851,1179 3.745,1180 3.614,1181 4.873,1182 3.639,1183 3.62,1184 3.67,1185 3.543,1186 3.434,1187 4.69,1188 3.456,1189 3.27,1190 3.331,1191 3.126,1192 2.996,1193 4.629,1194 3.016,1195 3.171,1196 3.278,1197 2.994,1198 2.944,1199 4.404,1200 2.942,1201 3.054,1202 3.138,1203 2.919,1204 2.879,1205 4.031,1206 2.862,1207 3.009,1208 3.085,1209 2.808,1210 2.802,1211 4.01,1212 2.805,1213 0.14,1214 0.1,1215 0.205,1216 0.127,1217 0.097,1218 4.476,1219 0.13,1220 3.185,1221 0.036,1222 6.565,1223 0.327,1224 4.079,1225 0.094,1226 3.113,1227 4.17,1228 1.151,1229 10.463,1230 3.013,1231 1.947,1232 1.918,1233 2.036,1234 2.08,1235 1.249,1236 2.064,1237 1.806,1238 1.772,1239 1.918,1240 1.959,1241 0.998,1242 1.948,1243 1.719,1244 1.671,1245 1.84,1246 1.934,1247 0.903,1248 1.908,1249 1.549,1250 1.495,1251 1.719,1252 1.76,1253 0.765,1254 1.746,1255 1.205,1256 1.136,1257 1.569,1258 1.518,1259 0.678,1260 1.533,1261 1.145,1262 1.053,1263 1.439,1264 1.442,1265 0.575,1266 1.459,1267 1.08,1268 0.994,1269 1.424,1270 1.298,1271 0.379,1272 1.349,1273 0.969,1274 0.902,1275 1.192,1276 1.218,1277 0.213,1278 1.216,1279 4.174,1281 5.485,1283 6.995,1285 8.593,1287 10.236,1289 3.354,1293 5.857,1295 2.116,1296 3.277,1297 10.523,1305 32.267,1306 81.864,1307 198.544,1308 257.928,1309 264.683,1310 264.683,1311 264.683,1312 37.363,1313 7.515,1314 120.96,1315 120.96,1316 24,1317 12.527,1318 4.322,1319 3.459,1320 44.346,1321 103,1322 138,1323 0.198,1324 199.322,1325 340.6,1326 478.106,1327 17290,1329 20.217,1330 0.697,1331 0.559,1332 20.217,1333 16.215,1334 14.119,1335 0.441,1336 0.286,1337 8.965,1338 13.389,1339 8.726,1340 7.251,1341 14.119,1342 9.15,1343 12.603,1344 0.286,1345 0.147,1346 12.603,1347 6.453,1348 10.405,1349 0.183,1350 0.078,1351 10.405,1352 4.435,1353 8.868,1354 0.118,1355 0.04,1356 8.868,1357 3.034,1358 7.232,1359 0.074,1360 0.021,1361 7.232,1362 2.013,1363 0.305,1364 89.656,1365 0.215,1366 27.278,1367 0.565,1368 152,1369 479.342,1370 170.884,1371 459.797,1372 636.97,1373 434,1374 177,1375 475.661,1376 194.833,1377 481.799,1378 702.03,1379 451,1380 8.301}
{0 CHEMBL2165031,1 1.58,2 11.2,3 1.726,4 2.979,5 113.329,6 7.41,7 0.545,8 4.122,9 4.265,10 3.688,11 3.552,12 5.237,13 3.562,14 4.651,15 4.864,16 4.035,17 3.914,18 5.73,19 3.908,20 4.82,21 5.036,22 4.071,23 4.088,24 5.829,25 4.046,26 4.929,27 5.173,28 4.012,29 4.13,30 5.888,31 4.038,32 4.943,33 5.213,34 4.017,35 4.099,36 5.89,37 4.016,38 4.823,39 5.058,40 4.059,41 4.038,42 5.859,43 3.99,44 4.831,45 5.066,46 4.019,47 4.012,48 5.89,49 3.973,50 4.856,51 5.106,52 3.964,53 4.029,54 5.824,55 3.964,56 0.058,57 0.9,58 11.677,59 3.865,60 10.509,61 5.922,62 0.465,63 1.339,64 22.758,65 6.21,66 34.952,67 9.717,68 0.4,69 1.568,70 26.548,71 7.554,72 30.428,73 11.945,74 0.405,75 1.611,76 30.729,77 9.925,78 40.559,79 15.291,80 0.506,81 1.594,82 32.341,83 9.214,84 44.841,85 15.005,86 0.377,87 1.528,88 27.266,89 7.858,90 37.296,91 12.645,92 0.538,93 1.523,94 27.674,95 6.495,96 45.367,97 11.086,98 0.465,99 1.485,100 28.959,101 7.952,102 36.174,103 12.772,104 18,105 46,106 0.26,107 0.611,108 0.794,109 0.838,110 0.844,111 0.844,112 3.441,113 0.882,114 -3.92,115 -3.88,116 -3.68,119 36.4,120 1,124 2,125 4,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 8,177 2,178 3,180 2,186 2,187 6,190 1,192 2,198 2,199 3,201 1,202 3,204 2,207 2,209 2,211 3,212 4,215 2,217 1,220 3,222 1,223 2,224 5,226 1,227 2,228 1,229 1,231 1,232 1,236 4,237 5,239 1,240 1,249 3,250 3,253 1,255 1,258 1,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 1720,276 20.281,277 20.281,278 20.281,279 20.281,280 20.281,281 18.12,282 31.494,283 11.882,284 21.095,285 16.246,286 16.246,287 16.246,288 16.246,289 16.246,290 12.932,291 46.575,292 5.631,293 17.481,294 4.201,295 2.077,296 0.964,297 0.696,298 0.659,299 0.659,300 4.137,304 1,305 1,306 723,307 2.646,311 400.294,318 1.613,319 23.904,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.5,331 336,332 4.464,333 3.226,334 6.565,335 4.071,336 3.115,337 4.153,338 0.86,339 10.464,340 2.98,341 4.081,342 3.025,343 6.101,344 3.725,345 2.796,346 3.681,347 0.8,348 8.919,349 2.596,350 4.029,351 2.876,352 5.604,353 3.612,354 2.676,355 3.602,356 0.8,357 7.675,358 2.507,359 3.806,360 2.725,361 5.423,362 3.436,363 2.513,364 3.094,365 0.4,366 7.121,367 2.318,368 3.471,369 2.604,370 5.144,371 3.195,372 2.275,373 2.755,375 6.339,376 2.093,377 3.352,378 2.386,379 5.04,380 3.079,381 2.154,382 2.481,384 6.072,385 1.981,386 3.232,387 2.086,388 4.84,389 2.797,390 1.879,391 2.462,393 5.275,394 1.723,395 3.167,396 1.896,397 4.618,398 2.724,399 1.8,400 2.346,402 4.963,403 1.658,404 2.617,405 1.605,406 4.334,407 2.361,408 1.418,409 1.631,411 4.046,412 1.333,413 2.55,414 1.146,415 3.931,416 1.999,417 1.058,418 1.575,420 2.905,421 0.993,422 2.5,423 1.126,424 3.414,425 1.967,426 1,427 1.5,428 2.275,429 0.965,430 2,431 1.066,432 3.414,433 1.959,434 1,435 1,436 2.275,437 0.957,438 1.771,439 1,440 3.111,441 1.47,442 0.608,443 0.681,445 1.124,446 0.52,447 1.424,448 0.442,449 2.758,450 1.118,451 0.207,452 0.242,454 0.435,455 0.188,456 1,457 0.03,458 2.654,459 0.754,460 -0.19,461 -0.203,463 -0.41,464 -0.178,465 13.933,466 0.464,467 0.746,468 0.025,469 41.75,470 1.392,471 20,472 0.667,473 21.75,474 0.725,475 23.845,476 0.795,477 32.867,478 0.598,479 32.241,480 1.075,481 8.335,482 0.278,483 6.177,484 0.206,485 0.136,487 0.344,493 1.016,494 1.737,495 0.797,496 1.285,497 1.016,498 1.039,499 1.111,500 0.981,501 0.819,502 0.781,503 0.603,504 0.757,505 1.144,506 1.112,507 1.066,508 1.016,509 0.935,510 1.016,511 0.73,512 1.108,513 0.957,514 1.154,515 0.756,516 1.107,517 0.708,518 0.932,519 0.837,520 0.876,521 0.91,522 0.869,523 0.827,524 1.213,525 0.868,526 1.055,527 0.838,528 0.977,529 1.245,530 1.065,531 1.161,532 0.949,533 1.309,534 1.007,535 1.051,536 0.948,537 1.027,538 0.952,539 1.053,540 0.97,541 7,542 0.26,543 3.111,544 1.625,545 1.631,546 1.215,547 0.647,548 0.604,549 0.488,550 0.222,551 11309,552 29330,553 2.087,554 45.5,556 17,558 2,559 3,560 3,564 1.735,565 1.957,566 3.404,567 0.966,568 1,569 1,573 86.91,574 1.58,575 3.705,576 4.817,577 5.086,578 5.122,579 5.122,580 2.881,581 4.348,582 4.872,583 3.573,584 1554.21,585 8.54,586 21436.5,588 1,590 1,591 317.975,592 1.4,593 4.839,594 0.212,595 0.011,596 0.068,597 0.035,598 0.038,599 0.028,600 0.014,601 0.014,602 0.012,603 0.006,604 0.438,605 0.33,606 0.88,607 0.715,608 152.878,609 -0.094,610 -0.447,611 0.067,612 -0.185,613 -0.107,614 -0.051,615 0.069,616 0.146,617 0.145,618 0.191,619 0.311,620 0.178,621 -0.17,622 0.028,623 -0.132,624 -0.017,625 -0.082,626 -0.058,627 0.069,628 -0.087,629 -0.015,630 -0.112,631 0.091,632 -0.088,633 0.094,634 0.052,635 0.134,636 0.112,637 0.026,638 0.128,639 0.06,640 -0.14,641 0.08,642 -0.057,643 0.103,644 0.001,645 -0.164,646 0.057,647 -0.193,648 -0.036,649 -0.218,650 -0.101,651 -0.087,652 0.094,653 -0.059,654 0.018,655 -0.077,656 -0.006,657 1.487,658 1.885,659 0.8,660 30.089,661 1.006,662 1.146,663 2.692,664 7.248,665 0.647,666 3.526,667 3.85,668 4.094,669 4.357,670 4.635,671 4.727,672 4.852,673 5.024,674 5.165,675 5.252,676 6.564,677 0.62,678 407.54,679 3.526,680 5.069,681 5.911,682 6.786,683 7.645,684 8.526,685 9.394,686 10.278,687 11.152,688 12.038,689 16.4,692 1,693 1,695 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,726 1,729 1,731 55,733 18,735 33,737 58,738 20,739 13,746 4,747 4,752 1,761 13,762 7,778 1,781 25,782 10,783 3,784 10,790 9,794 1,795 1,805 2,812 4,836 1,840 4,844 3,848 30,849 1,854 4,855 1,856 1,859 2,870 1.8,875 1,877 15.333,878 10.817,879 6.583,880 3.086,881 3.079,882 1.405,883 0.985,884 6.043,885 10.677,886 3.761,887 4.35,888 4.892,889 5.462,890 6.043,891 6.292,892 6.682,893 7.113,894 7.5,895 7.831,896 0.875,897 47,898 11.01,900 4.549,901 7.644,902 21.088,904 16.778,905 2.144,906 64.333,910 258.964,911 105.448,912 141.084,914 11,917 105.448,918 269.964,919 141.084,920 28.105,921 8.423,922 61.326,923 107.47,924 66.709,925 9.042,926 235.422,928 258.964,929 246.532,930 11,933 263.62,934 11,937 58.377,938 99.571,939 83.928,941 258.964,942 152.084,943 105.448,946 258.964,947 30.819,948 80.877,949 18.011,950 127.825,951 258.964,952 152.084,953 105.448,955 0.581,956 0.332,957 0.176,958 0.102,959 22,960 10,961 0.086,962 5,964 1,965 4.092,966 271.133,968 24,969 143.207,974 20.417,975 8.879,976 4.842,978 152.084,979 9.257,980 21.836,984 4.916,986 50.908,987 516.496,988 42,999 55.312,1000 63.016,1001 0.273,1002 0.641,1003 0.833,1004 0.88,1005 0.886,1006 0.886,1007 5.001,1008 1.8,1009 5.894,1010 5.275,1011 4.533,1012 5.037,1013 1.552,1014 6.678,1015 4.395,1016 6.196,1017 1.418,1018 7.435,1019 4.963,1020 4.111,1021 4.796,1022 0.57,1023 7.496,1024 3.908,1025 7.492,1026 1.058,1027 9.068,1028 4.046,1029 6.107,1030 7.183,1031 1.121,1032 10.566,1033 5.844,1034 8.817,1035 1,1036 10.754,1037 2.905,1038 6.447,1039 7.697,1040 0.479,1041 12.193,1042 6.127,1043 10.17,1044 1,1045 12.474,1046 2.275,1047 7.928,1048 9.592,1049 0.858,1050 14.788,1051 7.556,1052 11.543,1053 0.608,1054 14.219,1055 2.275,1056 8.638,1057 10.485,1058 0.346,1059 16.79,1060 8.217,1061 12.931,1062 0.207,1063 15.984,1064 1.124,1065 9.898,1066 12.15,1067 0.662,1068 19.212,1069 9.429,1070 3.115,1071 -0.19,1072 17.764,1073 0.435,1074 10.8,1075 13.256,1076 0.237,1077 21.393,1078 10.288,1079 2.796,1080 10.464,1081 19.557,1082 -0.41,1083 11.963,1084 14.798,1085 0.506,1086 23.752,1087 11.407,1088 2.676,1089 8.919,1090 21.362,1091 4.153,1092 12.965,1093 16.029,1094 0.158,1095 26.016,1096 12.369,1097 2.513,1098 7.675,1099 23.175,1100 3.681,1101 14.09,1102 17.506,1103 0.382,1104 28.355,1105 13.451,1106 2.275,1107 7.121,1108 24.998,1109 3.602,1110 15.144,1111 18.809,1112 0.104,1113 30.658,1114 14.467,1115 2.154,1116 6.339,1117 26.827,1118 3.094,1119 16.256,1120 20.252,1121 0.285,1122 32.994,1123 15.539,1124 1.879,1125 6.072,1126 28.662,1127 2.755,1128 17.339,1129 21.599,1130 0.068,1131 35.316,1132 16.584,1133 10854,1134 17678,1135 22.076,1136 35.597,1137 49.29,1138 49.326,1139 50.595,1140 48.979,1141 48.994,1142 62.403,1143 5.72,1144 139.773,1145 45.625,1146 5.464,1147 5.226,1148 6.118,1149 5.171,1150 5.115,1151 7.153,1152 1.72,1153 17.354,1154 4.928,1155 14.754,1156 1.494,1157 1.495,1158 1.533,1159 1.484,1160 1.485,1161 1.891,1162 0.173,1163 4.236,1164 1.383,1165 4.018,1166 4.067,1167 3.982,1168 3.875,1169 5.259,1170 3.895,1171 3.85,1172 3.897,1173 3.803,1174 3.713,1175 5.001,1176 3.728,1177 3.806,1178 3.877,1179 3.734,1180 3.59,1181 4.864,1182 3.615,1183 3.658,1184 3.721,1185 3.579,1186 3.465,1187 4.671,1188 3.487,1189 3.282,1190 3.35,1191 3.15,1192 3.016,1193 4.423,1194 3.036,1195 3.191,1196 3.288,1197 3.017,1198 2.958,1199 4.35,1200 2.959,1201 3.161,1202 3.269,1203 2.985,1204 2.941,1205 4.03,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.896,1211 3.969,1212 2.901,1213 0.135,1214 0.098,1215 0.199,1216 0.123,1217 0.094,1218 4.464,1219 0.126,1220 3.226,1221 0.026,1222 6.565,1223 0.317,1224 4.071,1225 0.09,1226 3.115,1227 4.153,1228 0.86,1229 10.464,1230 2.98,1231 1.921,1232 1.881,1233 2.024,1234 2.089,1235 1.299,1236 2.071,1237 1.799,1238 1.76,1239 1.932,1240 1.984,1241 1.022,1242 1.973,1243 1.729,1244 1.662,1245 1.86,1246 1.948,1247 0.913,1248 1.921,1249 1.584,1250 1.521,1251 1.742,1252 1.796,1253 0.825,1254 1.782,1255 1.214,1256 1.143,1257 1.57,1258 1.526,1259 0.769,1260 1.538,1261 1.173,1262 1.08,1263 1.532,1264 1.453,1265 0.636,1266 1.483,1267 1.153,1268 1.064,1269 1.513,1270 1.436,1271 0.574,1272 1.453,1273 1.127,1274 1.023,1275 1.429,1276 1.376,1277 0.347,1278 1.429,1279 4.205,1281 5.525,1283 7.04,1285 8.64,1287 10.284,1289 5.507,1293 5.885,1295 3.881,1296 3.301,1297 5.125,1300 4.625,1305 34.122,1306 86.91,1307 203.759,1308 264.955,1309 279.71,1310 281.71,1311 281.71,1312 38.9,1313 7.598,1314 118.21,1315 118.21,1316 24,1317 12.572,1318 4.248,1319 3.322,1320 46.685,1321 110,1322 146,1323 0.195,1324 211.842,1325 356.45,1326 508.654,1327 19053,1329 21.087,1330 0.703,1331 0.578,1332 21.087,1333 17.331,1334 14.512,1335 0.44,1336 0.294,1337 9.497,1338 13.717,1339 9.203,1340 7.675,1341 14.512,1342 9.707,1343 13.225,1344 0.288,1345 0.156,1346 13.225,1347 7.159,1348 10.816,1349 0.183,1350 0.084,1351 10.816,1352 4.955,1353 9.02,1354 0.117,1355 0.043,1356 9.02,1357 3.296,1358 7.456,1359 0.073,1360 0.023,1361 7.456,1362 2.303,1363 0.301,1364 92.291,1365 0.213,1366 28.1,1367 0.553,1368 158,1369 468.896,1370 178.169,1371 454.226,1372 632.34,1373 428,1374 184,1375 479.602,1376 204.254,1377 486.456,1378 707.15,1379 454,1380 7.409}
{0 CHEMBL2165032,1 1.59,2 11.2,3 2.257,4 5.094,5 110.421,6 8.01,7 0.727,8 4.031,9 4.159,10 3.661,11 3.54,12 5.244,13 3.552,14 4.497,15 4.675,16 4.008,17 3.877,18 5.703,19 3.876,20 4.629,21 4.809,22 4.04,23 3.993,24 5.784,25 3.979,26 4.707,27 4.912,28 3.982,29 4.01,30 5.823,31 3.958,32 4.743,33 4.974,34 3.989,35 4.013,36 5.813,37 3.961,38 4.684,39 4.893,40 4.033,41 3.986,42 5.813,43 3.952,44 4.723,45 4.948,46 3.988,47 3.974,48 5.863,49 3.939,50 4.7,51 4.925,52 3.926,53 3.962,54 5.765,55 3.907,56 0.068,57 0.824,58 8.888,59 3.718,60 10.177,61 4.777,62 0.362,63 1.226,64 16.942,65 6.155,66 31.213,67 8.16,68 0.288,69 1.409,70 18.676,71 6.192,72 27.983,73 8.322,74 0.364,75 1.45,76 21.546,77 7.678,78 35.177,79 10.52,80 0.384,81 1.473,82 23.807,83 7.75,84 38.982,85 11.223,86 0.293,87 1.437,88 21.256,89 7.485,90 31.992,91 10.552,92 0.515,93 1.468,94 22.871,95 6.623,96 44.259,97 9.381,98 0.252,99 1.373,100 22.683,101 7.858,102 29.943,103 11.173,104 18,105 46,106 0.264,107 0.619,108 0.796,109 0.876,110 0.883,111 0.883,112 3.441,113 0.837,114 -4.66,115 -4.58,116 -4.3,119 42,120 2,124 1,142 5,143 3,144 1,145 3,146 1,147 2,149 2,150 1,163 1,164 1,165 1,172 6,174 4,175 11,177 2,178 3,180 2,183 5,187 8,190 1,192 2,195 4,198 2,199 7,201 1,202 3,204 3,207 5,209 2,211 2,212 7,215 1,217 2,220 5,222 1,223 1,224 7,226 1,227 2,228 1,229 3,231 1,232 4,234 1,236 5,237 8,240 1,242 2,245 4,247 1,250 4,255 2,258 4,260 2,262 4,263 9,265 2,266 2,268 3,271 4,273 2,275 1720,276 20.281,277 20.281,278 20.281,279 20.281,280 20.281,281 17.383,282 21.813,283 11.882,284 20.932,285 16.246,286 16.246,287 16.246,288 16.246,289 16.246,290 11.901,291 29.51,292 5.631,293 17.224,294 4.054,295 1.918,296 0.853,297 0.365,298 0.325,299 0.325,300 4.137,304 1,305 1,306 723,307 2.646,311 400.294,318 1.613,319 24.498,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 65,331 336,332 4.478,333 3.166,334 6.565,335 4.08,336 3.115,337 4.184,338 0.86,339 10.464,340 3.015,341 4.174,342 2.88,343 6.101,344 3.77,345 2.796,346 3.805,347 0.4,348 8.919,349 2.721,350 4.057,351 2.836,352 5.604,353 3.612,354 2.676,355 3.654,357 7.675,358 2.507,359 3.916,360 2.703,361 5.423,362 3.444,363 2.513,364 3.492,366 7.121,367 2.336,368 3.636,369 2.474,370 5.144,371 3.237,372 2.275,373 3.025,375 6.339,376 2.186,377 3.466,378 2.348,379 5.04,380 3.082,381 2.154,382 2.756,384 6.072,385 1.985,386 3.232,387 2.085,388 4.84,389 2.797,390 1.879,391 2.481,393 5.275,394 1.723,395 3.192,396 1.888,397 4.618,398 2.728,399 1.8,400 2.452,402 4.963,403 1.665,404 2.863,405 1.489,406 4.334,407 2.4,408 1.418,409 2.019,411 4.046,412 1.39,413 2.55,414 1.123,415 3.931,416 1.999,417 1.058,418 1.575,420 2.905,421 0.993,422 2.5,423 1.066,424 3.414,425 1.959,426 1,427 1.5,428 2.275,429 0.957,430 2.5,431 1,432 3.414,433 1.959,434 1,435 1.5,436 2.275,437 0.956,438 1.776,439 1,440 3.111,441 1.471,442 0.608,443 0.684,445 1.124,446 0.521,447 1.457,448 0.428,449 2.758,450 1.124,451 0.207,452 0.249,454 0.435,455 0.189,456 1.11,457 0.057,458 2.654,459 0.769,460 -0.19,461 -0.235,463 -0.41,464 -0.181,465 14.033,466 0.468,467 0.746,468 0.025,469 46.25,470 1.542,471 25.5,472 0.85,473 20.75,474 0.692,475 20.75,476 0.692,477 30.967,478 0.619,479 35.335,480 1.178,481 9.242,482 0.308,483 5.271,484 0.176,485 0.135,487 0.356,493 0.983,494 1.418,495 0.736,496 1.082,497 1.075,498 0.899,499 0.89,500 0.941,501 0.698,502 0.812,503 0.636,504 0.751,505 1.247,506 1.189,507 1.044,508 0.99,509 1.127,510 0.971,511 0.915,512 1.067,513 1.048,514 1.097,515 0.915,516 1.097,517 0.81,518 1.014,519 0.905,520 0.909,521 0.996,522 0.908,523 0.766,524 1.216,525 0.831,526 1.065,527 0.744,528 0.977,529 1.126,530 0.847,531 1.101,532 0.827,533 1.137,534 0.917,535 0.897,536 1.166,537 0.896,538 1.069,539 0.878,540 0.992,541 7,542 0.26,543 3.111,544 1.625,545 1.631,546 1.215,547 0.647,548 0.604,549 0.488,550 0.222,551 11309,552 32037,553 2.087,554 40,556 8,558 3,559 3,560 6,564 1.735,565 1.957,566 3.404,567 0.933,568 1,569 1,573 79.516,574 1.59,575 3.726,576 4.791,577 5.279,578 5.319,579 5.319,580 2.881,581 4.348,582 4.872,583 3.573,584 1554.21,585 8.54,586 21436.5,588 1,590 1,591 282.193,592 1.4,593 4.839,594 0.212,595 0.011,596 0.068,597 0.035,598 0.038,599 0.028,600 0.014,601 0.014,602 0.012,603 0.006,604 0.438,605 0.17,606 1,607 0.715,608 152.878,609 -0.112,610 -0.25,611 0.044,612 -0.086,613 -0.216,614 -0.006,615 0.203,616 0.14,617 0.2,618 0.161,619 0.287,620 0.166,621 -0.256,622 -0.065,623 -0.171,624 -0.052,625 -0.235,626 -0.085,627 -0.013,628 -0.02,629 -0.133,630 -0.122,631 -0.039,632 -0.15,633 0.011,634 0.002,635 0.05,636 0.061,637 -0.048,638 0.065,639 0.081,640 -0.178,641 0.092,642 -0.087,643 0.15,644 -0.017,645 -0.09,646 0.237,647 -0.15,648 0.075,649 -0.129,650 -0.021,651 -0.051,652 -0.187,653 0.061,654 -0.066,655 0.057,656 0.007,657 1.517,658 1.86,659 0.8,660 30.089,661 1.009,662 1.134,663 3.428,664 11.754,665 0.681,666 3.526,667 3.85,668 4.094,669 4.357,670 4.635,671 4.727,672 4.852,673 5.024,674 5.165,675 5.252,676 6.564,677 0.661,678 400.49,679 3.526,680 5.069,681 5.911,682 6.786,683 7.645,684 8.526,685 9.394,686 10.278,687 11.152,688 12.038,689 16,693 1,697 1,699 6,702 1,704 8,705 6,709 10,711 24,722 1,724 1,729 1,731 50,733 24,735 33,737 53,738 21,739 18,746 4,747 4,752 2,761 18,762 3,778 1,781 20,782 9,783 3,784 9,790 8,794 1,795 1,805 3,812 4,840 4,844 3,848 30,849 1,855 1,856 1,870 2,875 1,877 15.333,878 10.117,879 6.583,880 2.726,881 3.579,882 1.471,883 0.999,884 5.509,885 11.177,886 3.829,887 4.466,888 5.047,889 5.64,890 6.247,891 6.511,892 6.942,893 7.42,894 7.877,895 8.28,896 0.875,897 47,898 10.959,900 4.541,901 7.722,902 20.655,904 16.234,905 2.222,906 66.667,910 200.109,911 131.825,912 151.621,914 11,917 131.825,918 211.109,919 151.621,920 28.533,922 80.278,923 136.026,924 75.879,925 9.042,926 164.795,928 200.109,929 283.446,930 11,933 204.765,934 11,937 67.459,938 110.617,939 100.713,941 200.109,942 162.621,943 131.825,946 200.109,947 28.768,948 103.057,949 18.011,950 144.61,951 200.109,952 162.621,953 131.825,955 0.581,956 0.332,957 0.176,958 0.102,959 22,960 10,961 0.094,962 5,964 1,965 4.092,966 271.133,968 24,969 145.207,974 19.683,975 8.397,976 4.53,978 162.621,979 14.756,980 26.015,984 6.38,986 50.908,987 494.554,988 45,999 50.443,1000 56.687,1001 0.282,1002 0.66,1003 0.849,1004 0.935,1005 0.942,1006 0.942,1007 5.05,1008 1.8,1009 5.894,1010 5.275,1011 4.533,1012 5.153,1013 1.029,1014 6.678,1015 4.426,1016 6.271,1017 1.418,1018 7.435,1019 4.963,1020 4.111,1021 4.913,1023 7.496,1024 3.972,1025 7.576,1026 1.058,1027 9.068,1028 4.046,1029 6.107,1030 7.359,1031 0.763,1032 10.566,1033 5.911,1034 8.913,1035 1,1036 10.754,1037 2.905,1038 6.447,1039 7.863,1041 12.193,1042 6.226,1043 10.275,1044 1,1045 12.474,1046 2.275,1047 7.928,1048 9.798,1049 0.597,1050 14.788,1051 7.66,1052 11.656,1053 0.608,1054 14.219,1055 2.275,1056 8.638,1057 10.679,1059 16.79,1060 8.349,1061 13.052,1062 0.207,1063 15.984,1064 1.124,1065 9.898,1066 12.368,1067 0.47,1068 19.212,1069 9.569,1070 3.115,1071 -0.19,1072 17.764,1073 0.435,1074 10.8,1075 13.464,1077 21.393,1078 10.45,1079 2.796,1080 10.464,1081 19.557,1082 -0.41,1083 11.963,1084 15.02,1085 0.367,1086 23.752,1087 11.579,1088 2.676,1089 8.919,1090 21.362,1091 4.184,1092 12.965,1093 16.243,1095 26.016,1096 12.557,1097 2.513,1098 7.675,1099 23.175,1100 3.805,1101 14.09,1102 17.728,1103 0.283,1104 28.355,1105 13.651,1106 2.275,1107 7.121,1108 24.998,1109 3.654,1110 15.144,1111 19.027,1113 30.658,1114 14.68,1115 2.154,1116 6.339,1117 26.827,1118 3.492,1119 16.256,1120 20.474,1121 0.217,1122 32.994,1123 15.762,1124 1.879,1125 6.072,1126 28.662,1127 3.025,1128 17.339,1129 21.819,1131 35.316,1132 16.819,1133 10854,1134 18443,1135 22.076,1136 34.069,1137 49.411,1138 49.342,1139 50.595,1140 48.935,1141 48.994,1142 66.752,1143 2.52,1144 139.773,1145 46.289,1146 5.262,1147 5.166,1148 6.118,1149 5.18,1150 5.115,1151 7.184,1152 1.72,1153 17.354,1154 4.975,1155 14.754,1156 1.497,1157 1.495,1158 1.533,1159 1.483,1160 1.485,1161 2.023,1162 0.076,1163 4.236,1164 1.403,1165 4.035,1166 4.074,1167 4.003,1168 3.932,1169 5.26,1170 3.943,1171 3.868,1172 3.907,1173 3.819,1174 3.746,1175 5.009,1176 3.759,1177 3.825,1178 3.879,1179 3.79,1180 3.665,1181 4.924,1182 3.687,1183 3.655,1184 3.71,1185 3.604,1186 3.477,1187 4.791,1188 3.504,1189 3.28,1190 3.341,1191 3.147,1192 3.072,1193 4.659,1194 3.073,1195 3.182,1196 3.28,1197 3.013,1198 2.972,1199 4.403,1200 2.978,1201 3.153,1202 3.24,1203 2.984,1204 2.913,1205 4.03,1206 2.915,1207 2.93,1208 3.024,1209 2.818,1210 2.734,1211 3.98,1212 2.728,1213 0.136,1214 0.096,1215 0.199,1216 0.124,1217 0.094,1218 4.478,1219 0.127,1220 3.166,1221 0.026,1222 6.565,1223 0.317,1224 4.08,1225 0.091,1226 3.115,1227 4.184,1228 0.86,1229 10.464,1230 3.015,1231 1.964,1232 1.935,1233 2.038,1234 2.085,1235 1.137,1236 2.07,1237 1.822,1238 1.786,1239 1.923,1240 1.97,1241 0.967,1242 1.959,1243 1.751,1244 1.708,1245 1.851,1246 1.944,1247 0.891,1248 1.916,1249 1.585,1250 1.527,1251 1.741,1252 1.778,1253 0.769,1254 1.767,1255 1.227,1256 1.163,1257 1.571,1258 1.521,1259 0.591,1260 1.536,1261 1.183,1262 1.107,1263 1.503,1264 1.443,1265 0.57,1266 1.464,1267 1.125,1268 1.027,1269 1.42,1270 1.388,1271 0.297,1272 1.424,1273 0.911,1274 0.833,1275 1.161,1276 1.16,1277 0.202,1278 1.164,1279 4.205,1281 5.525,1283 7.04,1285 8.64,1287 10.284,1289 5.282,1293 5.86,1296 3.263,1297 5.111,1305 33.047,1306 79.516,1307 186.279,1308 239.564,1309 263.928,1310 265.928,1311 265.928,1312 38.769,1313 7.598,1314 124.62,1315 124.62,1316 24,1317 12.572,1318 4.644,1319 3.7,1320 46.685,1321 110,1322 146,1323 0.195,1324 205.858,1325 343.93,1326 494.053,1327 19053,1329 21.087,1330 0.703,1331 0.56,1332 21.087,1333 16.788,1334 14.512,1335 0.44,1336 0.279,1337 9.042,1338 13.858,1339 8.731,1340 7.329,1341 14.512,1342 9.203,1343 13.225,1344 0.288,1345 0.143,1346 13.225,1347 6.587,1348 10.816,1349 0.183,1350 0.074,1351 10.816,1352 4.346,1353 9.02,1354 0.117,1355 0.037,1356 9.02,1357 2.866,1358 7.456,1359 0.073,1360 0.019,1361 7.456,1362 1.944,1363 0.301,1364 91.474,1365 0.213,1366 28.1,1367 0.553,1368 158,1369 483.251,1370 175.726,1371 474.356,1372 662.08,1373 446,1374 184,1375 504.489,1376 200.84,1377 514.318,1378 744.79,1379 481,1380 8.097}
{0 CHEMBL2165033,1 1.628,2 10.724,3 1.775,4 3.15,5 106.571,6 8.114,7 0.719,8 4.006,9 4.139,10 3.646,11 3.469,12 5.224,13 3.495,14 4.475,15 4.662,16 3.993,17 3.811,18 5.685,19 3.828,20 4.572,21 4.755,22 3.983,23 3.915,24 5.729,25 3.908,26 4.656,27 4.861,28 3.961,29 3.944,30 5.779,31 3.904,32 4.691,33 4.918,34 3.974,35 3.952,36 5.783,37 3.915,38 4.659,39 4.867,40 4.004,41 3.939,42 5.797,43 3.907,44 4.727,45 4.975,46 3.953,47 3.908,48 5.841,49 3.876,50 4.6,51 4.808,52 3.889,53 3.874,54 5.692,55 3.832,56 0.112,57 0.818,58 8.524,59 3.357,60 10.312,61 4.411,62 0.425,63 1.197,64 16.698,65 5.362,66 31.541,67 7.3,68 0.33,69 1.325,70 17.36,71 5.515,72 27.256,73 7.57,74 0.389,75 1.369,76 20.186,77 6.98,78 33.284,79 9.745,80 0.444,81 1.399,82 22.057,83 6.772,84 37.173,85 9.98,86 0.318,87 1.387,88 20.292,89 7.045,90 31.457,91 10.136,92 0.658,93 1.389,94 24.2,95 6.305,96 48.881,97 9.357,98 0.227,99 1.261,100 19.286,101 6.9,102 22.756,103 9.882,104 18,105 45,106 0.273,107 0.661,108 0.846,109 0.879,110 0.879,111 0.879,112 3.409,113 0.821,114 -4.36,115 -4.29,116 -4.05,119 39.6,120 1,124 2,142 3,143 3,144 1,145 3,147 2,149 2,150 1,151 1,163 1,164 1,165 1,166 1,172 4,174 4,175 10,177 2,178 3,180 2,183 2,187 8,190 1,192 2,195 1,198 2,199 7,201 1,202 3,204 3,207 2,209 2,211 3,212 7,215 1,217 2,220 3,222 1,223 1,224 5,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 7,237 5,240 2,242 1,245 3,247 1,250 3,255 1,258 2,260 1,262 5,263 7,265 3,266 3,268 1,271 1,273 1,275 1551,276 19.574,277 19.574,278 19.574,279 19.574,280 19.574,281 16.805,282 22.55,283 11.432,284 20.238,285 15.763,286 15.763,287 15.763,288 15.763,289 15.763,290 11.574,291 30.539,292 5.423,293 16.778,294 3.957,295 1.642,296 0.537,297 0.339,298 0.339,299 0.339,300 4.103,303 1,304 1,305 1,306 671,307 2.646,310 86.243,311 283.022,318 1.546,319 24.001,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 63.5,331 311,332 4.482,333 3.168,334 6.566,335 4.085,336 3.119,337 4.191,338 0.86,339 10.468,340 3.019,341 4.213,342 2.888,343 6.132,344 3.804,345 2.836,346 3.854,347 0.4,348 9.046,349 2.742,350 4.059,351 2.864,352 5.605,353 3.612,354 2.677,355 3.657,357 7.677,358 2.507,359 3.926,360 2.709,361 5.424,362 3.448,363 2.521,364 3.508,366 7.131,367 2.334,368 3.549,369 2.423,370 5.147,371 3.147,372 2.208,373 2.899,375 6.354,376 2.074,377 3.454,378 2.228,379 5.046,380 3.065,381 2.125,382 2.748,384 6.032,385 1.978,386 3.232,387 2.084,388 4.837,389 2.797,390 1.879,391 2.481,393 5.261,394 1.722,395 3.172,396 1.881,397 4.618,398 2.714,399 1.787,400 2.419,402 4.963,403 1.651,404 2.688,405 1.338,406 4.17,407 2.236,408 1.264,409 1.764,411 3.565,412 1.226,413 2.55,414 1.117,415 3.918,416 1.999,417 1.058,418 1.575,420 2.89,421 0.993,422 2.5,423 1.066,424 3.414,425 1.959,426 1,427 1.5,428 2.275,429 0.957,430 2.183,431 1,432 3.27,433 1.635,434 0.703,435 1.031,436 1.688,437 0.653,438 1.769,439 0.708,440 3.101,441 1.46,442 0.595,443 0.675,445 1.087,446 0.511,447 1.408,448 0.371,449 2.754,450 1.07,451 0.155,452 0.187,454 0.336,455 0.141,456 1,457 -0.125,458 2.597,459 0.573,460 -0.347,461 -0.445,463 -0.827,464 -0.317,465 13.433,466 0.463,467 0.746,468 0.026,469 44,470 1.517,471 23.5,472 0.81,473 20.5,474 0.707,475 19.756,476 0.681,477 30.367,478 0.633,479 33.751,480 1.164,481 8.85,482 0.305,483 5.163,484 0.178,485 0.141,487 0.365,493 0.963,494 1.482,495 0.721,496 1.134,497 1.061,498 0.919,499 1.008,500 0.936,501 0.706,502 0.734,503 0.645,504 0.683,505 1.245,506 1.203,507 1.066,508 1.017,509 1.163,510 0.997,511 0.884,512 1.112,513 1.003,514 1.12,515 0.875,516 1.094,517 0.839,518 1.014,519 0.931,520 0.919,521 1.021,522 0.925,523 0.73,524 1.32,525 0.855,526 1.195,527 0.753,528 1.075,529 1.043,530 0.632,531 1.038,532 0.675,533 1.138,534 0.806,535 0.821,536 1.392,537 0.895,538 1.29,539 0.766,540 1.137,541 7,542 0.188,543 2.889,544 1.722,545 1.659,546 1.115,547 0.553,548 0.695,549 0.369,550 0.293,551 10271,552 30133,553 2.09,554 39.6,556 9,557 1,558 3,559 3,560 3,564 1.726,565 1.955,566 3.342,567 0.994,568 1,569 1,573 78.128,574 1.628,575 3.943,576 5.048,577 5.246,578 5.246,579 5.246,580 2.85,581 4.444,582 4.824,583 3.514,584 1426.75,585 8.444,586 19160.1,588 1,590 1,591 268.078,592 1.416,593 4.788,594 0.219,595 0.009,596 0.064,597 0.039,598 0.039,599 0.026,600 0.013,601 0.017,602 0.009,603 0.009,604 0.445,605 0.17,606 1,607 0.729,608 145.857,609 -0.078,610 -0.276,611 0.054,612 -0.124,613 -0.208,614 -0.026,615 0.103,616 0.16,617 0.197,618 0.23,619 0.276,620 0.224,621 -0.292,622 -0.07,623 -0.208,624 -0.057,625 -0.278,626 -0.1,627 -0.012,628 -0.058,629 -0.099,630 -0.123,631 -0.007,632 -0.133,633 -0.014,634 0.023,635 0.004,636 0.054,637 -0.075,638 0.039,639 0.075,640 -0.279,641 0.053,642 -0.19,643 0.122,644 -0.099,645 -0.021,646 0.4,647 -0.051,648 0.225,649 -0.104,650 0.111,651 -0.023,652 -0.384,653 0.02,654 -0.253,655 0.118,656 -0.131,657 1.517,658 1.844,659 0.793,660 28.119,661 1.014,662 1.141,663 3.13,664 9.799,665 0.673,666 3.497,667 3.829,668 4.078,669 4.357,670 4.585,671 4.691,672 4.828,673 5.017,674 5.136,675 5.204,676 6.345,677 0.657,678 389.47,679 3.497,680 5.043,681 5.889,682 6.77,683 7.633,684 8.518,685 9.39,686 10.278,687 11.155,688 12.045,689 18.8,693 1,697 2,699 6,702 1,704 7,705 6,709 9,710 1,711 23,722 1,724 1,729 1,731 48,733 23,735 32,737 51,738 19,739 16,746 4,747 4,752 1,761 16,762 3,778 1,781 19,782 9,783 3,784 10,790 9,794 1,795 1,803 1,805 2,811 1,812 3,840 4,844 3,848 29,849 1,855 1,856 1,870 2.1,875 1,877 14.833,878 9.733,879 6.333,880 2.539,881 3.455,882 1.46,883 0.999,884 5.169,885 10.97,886 3.795,887 4.44,888 5.025,889 5.63,890 6.161,891 6.465,892 6.902,893 7.392,894 7.825,895 8.188,896 1,897 44,898 10.581,900 4.39,901 7.741,902 19.881,904 15.599,905 2.241,906 65,910 188.338,911 118.734,912 153.275,914 11,917 118.734,918 199.338,919 153.275,920 28.105,922 70.373,923 135.904,924 74.899,925 20.813,926 141.253,928 188.338,929 272.009,930 11,933 192.993,934 11,937 57.654,938 109.109,939 100.591,941 188.338,942 164.275,943 118.734,946 188.338,947 26.011,948 94.5,949 18.011,950 144.488,951 188.338,952 164.275,953 118.734,955 0.583,956 0.333,957 0.181,958 0.1,959 22,960 10,961 0.098,962 5,964 1,965 4.008,966 260.089,968 23,969 138.881,974 18.937,975 7.916,976 4.214,978 162.498,979 12.653,980 25.801,984 5.42,985 1.731,986 50.908,987 471.347,988 43.5,999 48.662,1000 54.77,1001 0.291,1002 0.706,1003 0.904,1004 0.939,1005 0.939,1006 0.939,1007 5.022,1008 1.787,1009 5.878,1010 5.261,1011 4.511,1012 5.127,1013 1.029,1014 6.671,1015 4.397,1016 6.247,1017 1.264,1018 7.424,1019 4.963,1020 4.111,1021 4.913,1023 7.496,1024 3.961,1025 7.557,1026 1.058,1027 9.061,1028 3.565,1029 6.094,1030 7.34,1031 0.763,1032 10.574,1033 5.885,1034 8.898,1035 1,1036 10.75,1037 2.89,1038 6.463,1039 7.892,1041 12.209,1042 6.229,1043 10.266,1044 0.703,1045 12.474,1046 2.275,1047 7.928,1048 9.79,1049 0.597,1050 14.807,1051 7.644,1052 11.652,1053 0.595,1054 14.222,1055 1.688,1056 8.663,1057 10.72,1059 16.813,1060 8.358,1061 13.053,1062 0.155,1063 15.989,1064 1.087,1065 9.912,1066 12.374,1067 0.47,1068 19.237,1069 9.567,1070 3.119,1071 -0.347,1072 17.772,1073 0.336,1074 10.832,1075 13.512,1077 21.419,1078 10.466,1079 2.836,1080 10.468,1081 19.568,1082 -0.827,1083 11.99,1084 15.042,1085 0.367,1086 23.779,1087 11.589,1088 2.677,1089 9.046,1090 21.374,1091 4.191,1092 13.004,1093 16.296,1095 26.043,1096 12.58,1097 2.521,1098 7.677,1099 23.19,1100 3.854,1101 14.126,1102 17.764,1103 0.283,1104 28.383,1105 13.671,1106 2.208,1107 7.131,1108 25.013,1109 3.657,1110 15.188,1111 19.083,1113 30.684,1114 14.708,1115 2.125,1116 6.354,1117 26.844,1118 3.508,1119 16.3,1120 20.52,1121 0.217,1122 33.02,1123 15.791,1124 1.879,1125 6.032,1126 28.68,1127 2.899,1128 17.387,1129 21.879,1131 35.34,1132 16.852,1133 9849,1134 17035,1135 21.383,1136 32.313,1137 48.305,1138 48.193,1139 49.37,1140 47.809,1141 47.852,1142 64.98,1143 2.52,1144 137.545,1145 45.018,1146 5.267,1147 5.168,1148 6.119,1149 5.185,1150 5.119,1151 7.191,1152 1.72,1153 17.358,1154 4.983,1155 14.356,1156 1.51,1157 1.506,1158 1.543,1159 1.494,1160 1.495,1161 2.031,1162 0.079,1163 4.298,1164 1.407,1165 4.046,1166 4.092,1167 4.014,1168 3.921,1169 5.26,1170 3.938,1171 3.88,1172 3.936,1173 3.837,1174 3.734,1175 5.021,1176 3.75,1177 3.829,1178 3.882,1179 3.794,1180 3.63,1181 4.961,1182 3.665,1183 3.648,1184 3.71,1185 3.599,1186 3.442,1187 4.81,1188 3.474,1189 3.272,1190 3.334,1191 3.13,1192 3.002,1193 4.659,1194 3.021,1195 3.172,1196 3.278,1197 2.994,1198 2.95,1199 4.402,1200 2.947,1201 3.094,1202 3.185,1203 2.933,1204 2.871,1205 4.03,1206 2.871,1207 2.924,1208 3.021,1209 2.807,1210 2.708,1211 3.935,1212 2.704,1213 0.14,1214 0.099,1215 0.205,1216 0.128,1217 0.097,1218 4.482,1219 0.131,1220 3.168,1221 0.027,1222 6.566,1223 0.327,1224 4.085,1225 0.094,1226 3.119,1227 4.191,1228 0.86,1229 10.468,1230 3.019,1231 1.923,1232 1.891,1233 1.985,1234 2.065,1235 1.089,1236 2.041,1237 1.791,1238 1.759,1239 1.887,1240 1.952,1241 0.934,1242 1.93,1243 1.654,1244 1.597,1245 1.782,1246 1.859,1247 0.802,1248 1.84,1249 1.481,1250 1.395,1251 1.713,1252 1.79,1253 0.749,1254 1.766,1255 1.324,1256 1.268,1257 1.572,1258 1.541,1259 0.582,1260 1.546,1261 1.195,1262 1.124,1263 1.485,1264 1.46,1265 0.555,1266 1.479,1267 1.13,1268 1.032,1269 1.396,1270 1.433,1271 0.243,1272 1.438,1273 0.885,1274 0.812,1275 1.133,1276 1.156,1277 0.189,1278 1.147,1279 4.174,1281 5.501,1282 2.398,1283 7.011,1284 4.595,1285 8.605,1286 6.555,1287 10.245,1289 5.195,1293 5.844,1296 3.254,1297 5.102,1305 31.541,1306 78.128,1307 189.268,1308 242.304,1309 251.814,1310 251.814,1311 251.814,1312 35.971,1313 7.515,1314 129.55,1315 129.55,1316 23,1317 12.577,1318 4.585,1319 3.644,1320 44.359,1321 103,1322 138,1323 0.199,1324 196.395,1325 322.97,1326 470.963,1327 17060,1329 20.38,1330 0.703,1331 0.557,1332 20.38,1333 16.158,1334 14.012,1335 0.438,1336 0.274,1337 8.572,1338 13.251,1339 8.292,1340 6.961,1341 14.012,1342 8.763,1343 12.884,1344 0.286,1345 0.14,1346 12.884,1347 6.302,1348 10.491,1349 0.181,1350 0.071,1351 10.491,1352 4.14,1353 8.942,1354 0.116,1355 0.036,1356 8.942,1357 2.798,1358 7.025,1359 0.072,1360 0.018,1361 7.025,1362 1.793,1363 0.306,1364 89.171,1365 0.216,1366 27.253,1367 0.566,1368 154,1369 486.896,1370 173.475,1371 474.755,1372 662.15,1373 446,1374 180,1375 508.134,1376 199.283,1377 515.696,1378 745.65,1379 481,1380 8.097}
{0 CHEMBL2165034,1 1.587,2 10.679,3 1.561,4 2.437,5 104.289,6 7.57,7 0.581,8 4.032,9 4.17,10 3.617,11 3.492,12 5.16,13 3.501,14 4.531,15 4.733,16 3.922,17 3.823,18 5.641,19 3.808,20 4.655,21 4.866,22 3.934,23 3.925,24 5.7,25 3.889,26 4.728,27 4.97,28 3.914,29 3.945,30 5.749,31 3.886,32 4.697,33 4.913,34 3.937,35 3.982,36 5.736,37 3.922,38 4.772,39 5.016,40 3.953,41 3.971,42 5.812,43 3.911,44 4.728,45 4.972,46 3.887,47 3.909,48 5.747,49 3.857,50 4.679,51 4.91,52 3.802,53 3.862,54 5.694,55 3.799,56 0.059,57 0.825,58 10.183,59 3.672,60 9.191,61 5.29,62 0.405,63 1.201,64 19.495,65 6.024,66 31.628,67 8.806,68 0.281,69 1.343,70 21.913,71 6.474,72 27.594,73 9.972,74 0.445,75 1.368,76 25.024,77 7.573,78 36.986,79 11.484,80 0.278,81 1.403,82 22.766,83 7.374,84 29.911,85 11.332,86 0.452,87 1.434,88 26.061,89 7.778,90 41.375,91 11.969,92 0.432,93 1.363,94 24.932,95 6.543,96 36.933,97 10.576,98 0.328,99 1.283,100 23.22,101 6.642,102 33.472,103 10.348,104 11,105 43,106 0.267,107 0.645,108 0.84,109 0.862,110 0.862,111 0.862,112 3.375,113 0.878,114 -4.43,115 -4.36,116 -4.11,119 38,120 1,121 1,124 1,125 3,142 3,143 2,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 10,177 2,178 3,180 2,183 1,187 6,190 1,192 2,198 3,199 6,201 1,202 3,204 3,207 3,209 2,211 1,212 3,215 1,217 1,220 4,222 1,223 3,224 6,226 1,227 3,228 1,229 2,231 1,232 4,234 1,236 3,237 4,245 1,249 1,250 6,252 1,253 1,255 2,258 1,260 1,262 4,263 4,265 1,266 1,268 1,271 1,273 1,275 1434,276 19.074,277 19.074,278 19.074,279 19.074,280 19.074,281 16.888,282 29.615,283 11.252,284 19.766,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 11.958,291 43.768,292 5.351,293 16.348,294 4.056,295 1.801,296 0.645,297 0.51,298 0.51,299 0.51,300 4.068,303 1,304 1,305 1,306 649,307 2.739,309 74.458,311 276.542,318 1.559,319 22.695,321 1,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 61,331 299,332 4.452,333 3.183,334 6.547,335 4.053,336 3.093,337 4.145,338 0.916,339 10.402,340 2.971,341 4.068,342 2.984,343 5.624,344 3.625,345 2.693,346 3.674,347 0.86,348 7.766,349 2.52,350 3.99,351 2.876,352 5.573,353 3.607,354 2.665,355 3.586,356 0.4,357 7.635,358 2.507,359 3.714,360 2.727,361 5.42,362 3.445,363 2.52,364 2.973,365 0.172,366 7.124,367 2.328,368 3.476,369 2.468,370 5.151,371 3.138,372 2.201,373 2.751,375 6.378,376 2.067,377 3.361,378 2.269,379 5.027,380 3.042,381 2.087,382 2.49,384 6.007,385 1.969,386 3.232,387 2.084,388 4.829,389 2.796,390 1.879,391 2.481,393 5.238,394 1.722,395 3.141,396 1.875,397 4.618,398 2.696,399 1.766,400 2.348,402 4.963,403 1.637,404 2.55,405 1.143,406 3.947,407 2,408 1.059,409 1.575,411 2.931,412 0.994,413 2.5,414 1.066,415 3.414,416 1.959,417 1,418 1.5,420 2.275,421 0.957,422 1.893,423 1,424 3.282,425 1.775,426 0.812,427 0.855,428 1.883,429 0.779,430 1.746,431 0.936,432 3.066,433 1.47,434 0.603,435 0.669,436 1.117,437 0.519,438 1.429,439 0.472,440 2.752,441 1.138,442 0.222,443 0.259,445 0.464,446 0.203,447 1,448 0.22,449 2.618,450 0.951,456 1,457 0.008,458 2.574,459 0.629,460 -0.301,461 -0.353,463 -0.656,464 -0.277,465 13.033,466 0.465,467 0.656,468 0.023,469 39.5,470 1.411,471 19.5,472 0.696,473 20,474 0.714,475 20.795,476 0.743,477 30.167,478 0.603,479 29.002,480 1.036,481 7.78,482 0.278,483 5.822,484 0.208,485 0.107,487 0.338,493 1,494 1.598,495 0.778,496 1.202,497 1.007,498 0.985,499 0.999,500 0.964,501 0.827,502 0.859,503 0.601,504 0.83,505 1.122,506 1.265,507 1.007,508 1.074,509 0.966,510 1.02,511 0.891,512 0.873,513 0.91,514 0.874,515 0.834,516 0.89,517 0.764,518 1.291,519 0.972,520 1.166,521 1.015,522 1.105,523 0.808,524 0.959,525 0.918,526 0.953,527 0.911,528 0.95,529 1.08,530 1.063,531 1.046,532 0.939,533 1.101,534 0.962,535 1.115,536 1.196,537 1.138,538 1.169,539 1.214,540 1.149,541 6.5,542 0.14,543 2.111,544 1.813,545 1.48,546 0.875,547 0.69,548 0.417,549 0.382,550 0.218,551 9673,552 25134,553 2.115,554 44,556 12,558 2,559 3,560 3,562 2,564 1.717,565 2,566 3.351,567 0.988,568 1,569 1,573 79.375,574 1.587,575 3.843,576 4.999,577 5.134,578 5.134,579 5.134,580 2.867,581 4.209,582 4.772,583 3.515,584 1328.66,585 8.339,586 17537.4,588 1,590 1,591 282.193,592 1.333,593 4.748,594 0.21,595 0.007,596 0.051,597 0.044,598 0.037,599 0.021,600 0.017,601 0.011,602 0.011,603 0.007,604 0.417,605 0.17,606 1,607 0.689,608 139.66,609 -0.102,610 -0.347,611 0.059,612 -0.132,613 -0.108,614 -0.024,615 0.135,616 0.145,617 0.115,618 0.124,619 0.323,620 0.109,621 -0.166,622 -0.161,623 -0.081,624 -0.088,625 -0.071,626 -0.07,627 0.042,628 0.157,629 0.052,630 0.106,631 0.084,632 0.081,633 -0.003,634 -0.202,635 -0.064,636 -0.145,637 -0.093,638 -0.119,639 0.09,640 0.076,641 0.042,642 0.015,643 0.054,644 0.015,645 -0.102,646 -0.009,647 -0.079,648 -0.006,649 -0.107,650 -0.027,651 -0.143,652 -0.142,653 -0.187,654 -0.206,655 -0.171,656 -0.2,657 1.479,658 1.846,659 0.786,660 27.816,661 1.007,662 1.142,663 3.196,664 10.212,665 0.657,666 3.466,667 3.784,668 4.025,669 4.248,670 4.5,671 4.595,672 4.727,673 4.883,674 5.004,675 5.03,676 6.324,677 0.631,678 378.49,679 3.466,680 5.004,681 5.844,682 6.718,683 7.573,684 8.452,685 9.315,686 10.197,687 11.065,688 11.948,689 16,692 1,693 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,729 1,731 50,732 1,733 18,735 31,737 53,738 19,739 13,746 4,747 4,752 1,755 1,758 1,761 13,762 6,777 1,778 1,781 22,782 9,783 3,784 9,790 8,794 1,795 1,805 2,810 1,812 3,836 1,840 4,844 2,848 28,849 1,854 4,855 1,856 1,859 1,870 2,875 1,877 14,878 9.617,879 6.139,880 2.861,881 3.197,882 1.433,883 0.996,884 5.33,885 10.578,886 3.714,887 4.311,888 4.854,889 5.417,890 5.997,891 6.228,892 6.615,893 7.039,894 7.419,895 7.712,896 1,897 41,898 10.274,900 4.278,901 7.655,902 19.673,904 15.785,905 2.155,906 60.333,910 223.651,911 97.909,912 137.96,914 11,917 97.909,918 234.651,919 137.96,920 19.708,921 8.852,922 61.326,923 107.47,924 64.014,925 9.042,926 200.109,928 223.651,929 235.869,930 11,933 204.765,934 34.542,937 58.806,938 88.479,939 83.928,941 223.651,942 148.96,943 97.909,946 223.651,947 31.677,948 69.356,949 18.011,950 127.825,951 223.651,952 148.96,953 97.909,955 0.579,956 0.33,957 0.17,958 0.095,959 21,960 9,961 0.113,962 6,964 1,965 4.017,966 244.029,968 22,969 132.606,974 18.541,975 8.049,976 4.378,978 148.96,979 9.27,980 21.685,984 5.07,986 50.908,987 470.52,988 40,999 50.327,1000 57.102,1001 0.281,1002 0.681,1003 0.886,1004 0.91,1005 0.91,1006 0.91,1007 4.945,1008 1.766,1009 5.82,1010 5.238,1011 4.466,1012 4.997,1013 1.459,1014 6.594,1015 4.341,1016 6.141,1017 1.059,1018 7.351,1019 4.963,1020 4.007,1021 4.745,1022 0.325,1023 7.368,1024 3.83,1025 7.441,1026 1,1027 8.972,1028 2.931,1029 6.047,1030 7.16,1031 1.132,1032 10.454,1033 5.811,1034 8.769,1035 0.812,1036 10.647,1037 2.275,1038 6.347,1039 7.658,1040 0.393,1041 12.035,1042 6.062,1043 10.122,1044 0.603,1045 12.355,1046 1.883,1047 7.854,1048 9.569,1049 0.925,1050 14.635,1051 7.519,1052 11.494,1053 0.222,1054 14.088,1055 1.117,1056 8.531,1057 10.449,1058 0.384,1059 16.611,1060 8.152,1061 12.88,1063 15.839,1064 0.464,1065 9.803,1066 12.123,1067 0.765,1068 19.037,1069 9.38,1070 3.093,1071 -0.301,1072 17.607,1074 10.682,1075 13.221,1076 0.351,1077 21.209,1078 10.22,1079 2.693,1080 10.402,1081 19.389,1082 -0.656,1083 11.849,1084 14.769,1085 0.634,1086 23.573,1087 11.346,1088 2.665,1089 7.766,1090 21.183,1091 4.145,1092 12.835,1093 15.994,1094 0.312,1095 25.837,1096 12.297,1097 2.52,1098 7.635,1099 22.988,1100 3.674,1101 13.958,1102 17.474,1103 0.525,1104 28.182,1105 13.382,1106 2.201,1107 7.124,1108 24.803,1109 3.586,1110 15.002,1111 18.775,1112 0.273,1113 30.488,1114 14.392,1115 2.087,1116 6.378,1117 26.626,1118 2.973,1119 16.11,1120 20.218,1121 0.433,1122 32.828,1123 15.464,1124 1.879,1125 6.007,1126 28.458,1127 2.751,1128 17.186,1129 21.564,1130 0.236,1131 35.153,1132 16.505,1133 9204,1134 15013,1135 20.978,1136 32.83,1137 45.555,1138 45.657,1139 46.417,1140 45.196,1141 45.2,1142 58.612,1143 4.698,1144 128.366,1145 42.345,1146 5.452,1147 5.183,1148 6.165,1149 5.153,1150 5.093,1151 7.145,1152 1.776,1153 17.29,1154 4.92,1155 12.122,1156 1.47,1157 1.473,1158 1.497,1159 1.458,1160 1.458,1161 1.891,1162 0.152,1163 4.141,1164 1.366,1165 4.017,1166 4.064,1167 3.979,1168 3.885,1169 5.259,1170 3.902,1171 3.853,1172 3.905,1173 3.803,1174 3.718,1175 5,1176 3.731,1177 3.819,1178 3.881,1179 3.737,1180 3.628,1181 4.859,1182 3.642,1183 3.679,1184 3.738,1185 3.606,1186 3.494,1187 4.669,1188 3.519,1189 3.283,1190 3.344,1191 3.148,1192 3.042,1193 4.415,1194 3.054,1195 3.175,1196 3.279,1197 2.998,1198 2.959,1199 4.321,1200 2.959,1201 3.102,1202 3.184,1203 2.955,1204 2.871,1205 4.03,1206 2.88,1207 2.922,1208 3.019,1209 2.803,1210 2.694,1211 3.925,1212 2.701,1213 0.144,1214 0.103,1215 0.211,1216 0.131,1217 0.1,1218 4.452,1219 0.134,1220 3.183,1221 0.03,1222 6.547,1223 0.336,1224 4.053,1225 0.096,1226 3.093,1227 4.145,1228 0.916,1229 10.402,1230 2.971,1231 1.933,1232 1.894,1233 2.055,1234 2.089,1235 1.373,1236 2.078,1237 1.809,1238 1.767,1239 1.949,1240 1.995,1241 1.082,1242 1.988,1243 1.756,1244 1.698,1245 1.875,1246 1.95,1247 0.933,1248 1.925,1249 1.609,1250 1.548,1251 1.762,1252 1.811,1253 0.787,1254 1.8,1255 1.217,1256 1.152,1257 1.571,1258 1.525,1259 0.602,1260 1.538,1261 1.161,1262 1.078,1263 1.454,1264 1.443,1265 0.567,1266 1.463,1267 1.068,1268 0.98,1269 1.328,1270 1.317,1271 0.325,1272 1.333,1273 0.859,1274 0.781,1275 1.118,1276 1.154,1277 0.231,1278 1.146,1279 4.143,1281 5.493,1283 7.015,1285 8.612,1287 10.25,1289 3.374,1293 5.846,1295 4.326,1296 3.286,1297 5.108,1300 2.369,1305 31.574,1306 79.375,1307 192.161,1308 249.928,1309 256.683,1310 256.683,1311 256.683,1312 34.632,1313 7.381,1314 114.97,1315 114.97,1316 22,1317 12.485,1318 4.248,1319 3.322,1320 42.112,1321 99,1322 130,1323 0.196,1324 195.455,1325 328.15,1326 468.671,1327 14733,1329 19.51,1330 0.697,1331 0.567,1332 19.51,1333 15.884,1334 13.602,1335 0.439,1336 0.293,1337 8.897,1338 12.917,1339 8.653,1340 7.208,1341 13.602,1342 9.074,1343 12.344,1344 0.287,1345 0.155,1346 12.344,1347 6.648,1348 10.048,1349 0.183,1350 0.082,1351 10.048,1352 4.513,1353 8.101,1354 0.117,1355 0.041,1356 8.101,1357 2.839,1358 6.518,1359 0.073,1360 0.021,1361 6.518,1362 1.856,1363 0.302,1364 86.168,1365 0.218,1366 26.603,1367 0.554,1368 148,1369 439.251,1370 166.087,1371 426.82,1372 594.18,1373 402,1374 172,1375 450.137,1376 189.84,1377 457.043,1378 664.77,1379 427,1380 6.796}
{0 CHEMBL2165035,1 1.633,2 8.2,3 2.534,4 6.423,5 91.498,6 8.599,7 0.786,8 3.814,9 3.946,10 3.497,11 3.344,12 5.077,13 3.367,14 4.265,15 4.424,16 3.869,17 3.707,18 5.514,19 3.721,20 4.455,21 4.642,22 3.94,23 3.781,24 5.804,25 3.788,26 4.481,27 4.677,28 3.878,29 3.769,30 5.733,31 3.758,32 4.503,33 4.715,34 3.833,35 3.758,36 5.777,37 3.74,38 4.498,39 4.716,40 3.816,41 3.753,42 5.764,43 3.727,44 4.449,45 4.673,46 3.649,47 3.694,48 5.606,49 3.646,50 4.36,51 4.611,52 3.476,53 3.503,54 5.51,55 3.437,56 0.123,57 0.743,58 5.999,59 2.807,60 10.729,61 3.241,62 0.214,63 1.132,64 10.72,65 4.741,66 20.009,67 5.787,68 0.45,69 1.353,70 14.544,71 5.06,72 50.324,73 6.318,74 0.397,75 1.334,76 15.538,77 6.01,78 37.275,79 7.232,80 0.475,81 1.344,82 16.945,83 5.732,84 46.972,85 7.168,86 0.5,87 1.314,88 17.97,89 6.685,90 57.981,91 8.074,92 0.361,93 1.169,94 16.392,95 5.664,96 35.826,97 7.212,98 0.347,99 1.043,100 16.94,101 5.918,102 35.99,103 7.897,104 10,105 40,106 0.285,107 0.687,108 0.832,109 0.893,110 0.893,111 0.893,112 3.268,113 0.811,114 -4.27,115 -4.21,116 -3.97,119 43.6,120 1,142 5,143 2,144 2,145 2,146 1,147 2,149 1,152 1,163 1,164 1,165 1,168 1,172 4,174 1,175 6,177 1,178 2,180 5,183 4,187 3,192 3,195 1,198 1,199 6,201 1,202 3,203 1,204 5,207 3,209 2,212 2,217 1,220 4,222 1,223 2,224 6,226 1,227 3,228 1,229 3,231 1,232 5,234 1,237 2,242 1,245 2,249 1,250 4,253 1,255 3,258 3,260 2,263 1,268 1,271 1,273 1,275 866,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 14.272,282 15.031,283 9.941,284 17.375,285 13.821,286 13.821,287 13.821,288 13.821,289 13.821,290 9.849,291 22.621,292 4.697,293 14.476,294 3.652,295 1.353,296 0.522,297 0.173,298 0.173,299 0.173,300 3.965,303 1,304 1,305 1,306 449,307 2.345,310 47.865,311 203.619,314 89.161,318 1.248,319 27.316,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55,331 205,332 4.555,333 3.363,334 6.751,335 4.141,336 3.182,337 4.462,338 0.4,339 10.991,340 3.054,341 4.488,342 3.118,343 6.516,344 4.014,345 3.039,346 4.242,348 10.229,349 2.959,350 4.057,351 2.81,352 5.996,353 3.608,354 2.666,355 3.657,357 8.385,358 2.499,359 3.49,360 2.42,361 5.265,362 3.067,363 2.116,364 2.867,366 6.392,367 2.012,368 3.429,369 2.204,370 4.99,371 3,372 2.068,373 2.749,375 5.743,376 1.917,377 3.229,378 1.893,379 4.97,380 2.764,381 1.826,382 2.506,384 5.417,385 1.709,386 3.048,387 1.548,388 4.194,389 2.536,390 1.548,391 2.321,393 3.697,394 1.528,395 2.876,396 1.483,397 4.043,398 2.405,399 1.427,400 2.038,402 3.357,403 1.393,404 2.614,405 1.426,406 3.618,407 2.098,408 1.163,409 1.665,411 2.866,412 1.082,413 2.5,414 1,415 3.412,416 1.97,417 1,418 1.5,420 2.234,421 0.968,422 2.096,423 0.881,424 3.244,425 1.625,426 0.667,427 0.93,428 1.684,429 0.637,430 1.604,431 0.72,432 3.03,433 1.254,434 0.379,435 0.445,436 0.892,437 0.324,438 1.343,439 0.13,440 2.76,441 0.952,442 0.013,443 0.017,445 0.034,446 0.012,447 0.992,448 -0.233,449 2.673,450 0.547,451 -0.39,452 -0.512,454 -1.023,455 -0.363,456 0.801,457 -0.339,458 2.321,459 0.386,460 -0.561,461 -0.689,463 -1.331,464 -0.53,465 11.586,466 0.463,467 0.627,468 0.025,469 38,470 1.52,471 21,472 0.84,473 17,474 0.68,475 16.229,476 0.649,477 25.614,478 0.657,479 27.548,480 1.102,481 7.683,482 0.307,483 4.448,484 0.178,485 0.102,487 0.388,491 1,493 0.77,494 1.057,495 0.68,496 0.877,497 0.703,498 0.77,499 0.7,500 1.113,501 0.665,502 0.996,503 0.623,504 0.86,505 0.935,506 1.033,507 0.912,508 0.955,509 0.786,510 0.924,511 1.073,512 1.134,513 1.013,514 1.109,515 1.08,516 1.068,517 1.111,518 1.022,519 1.062,520 0.98,521 1.093,522 0.996,523 1.224,524 0.984,525 1.016,526 0.943,527 1.443,528 0.951,529 1.058,530 0.993,531 1.163,532 1.043,533 0.932,534 1.098,535 0.949,536 1.051,537 0.996,538 1.105,539 0.989,540 1.08,541 4.5,542 0.069,543 3.111,544 1.813,545 1.48,546 0.739,547 0.468,548 0.343,549 0.232,550 0.175,551 6751,552 20715,553 2.13,554 35.9,556 5,558 2,559 4,560 3,564 1.686,565 2,566 3.07,567 1.815,568 1,569 1,571 1,573 63.689,574 1.633,575 3.932,576 4.763,577 5.112,578 5.112,579 5.112,580 2.428,581 4.324,582 4.622,583 3.23,584 969.013,585 8.019,586 11491.5,587 1,588 1,590 1,591 206.131,592 1.388,593 4.579,594 0.161,595 0.008,596 0.078,597 0.044,598 0.039,599 0.021,600 0.013,601 0.011,602 0.01,603 0.01,604 0.394,605 0.17,606 1,607 0.553,608 118.153,609 -0.092,610 -0.031,611 0.013,612 0.059,613 -0.129,614 0.067,615 0.038,616 -0.12,617 0.117,618 -0.041,619 0.016,620 0.032,621 0.053,622 0.015,623 -0.04,624 -0.028,625 0.139,626 -0.045,627 -0.039,628 -0.08,629 -0.101,630 -0.146,631 -0.052,632 -0.147,633 -0.063,634 0.007,635 -0.112,636 -0.022,637 -0.025,638 -0.059,639 -0.034,640 0.114,641 -0.02,642 0.07,643 -0.115,644 0.029,645 -0.208,646 -0.077,647 -0.212,648 -0.078,649 -0.136,650 -0.122,651 0.006,652 -0.148,653 0.07,654 -0.084,655 0.008,656 -0.015,657 2.33,658 6.469,659 0.84,660 16.963,661 1.019,662 1.141,663 3.041,664 9.245,665 0.693,666 3.367,667 3.714,668 4.025,669 4.317,670 4.522,671 4.564,672 4.654,673 4.787,674 4.787,675 4.836,676 5.393,677 0.683,678 335.38,679 3.367,680 4.92,681 5.79,682 6.683,683 7.569,684 8.466,685 9.356,686 10.253,687 11.145,688 12.043,689 17.9,693 1,697 2,699 4,703 2,704 7,705 4,706 1,709 7,711 22,722 1,724 1,730 1,731 39,733 22,734 1,735 28,737 42,738 17,739 16,740 3,741 3,746 4,747 5,752 1,761 16,762 1,777 1,778 1,779 1,781 14,782 7,783 4,784 8,790 7,794 0.75,803 1,805 1,806 1,811 1,812 3,815 1,840 3,844 1,846 1,848 25,849 1,855 1,869 1,877 12.5,878 7.36,879 5.417,880 2.143,881 4.494,882 1.601,883 1.055,884 3.787,885 11.97,886 3.689,887 4.373,888 5.025,889 5.658,890 6.184,891 6.46,892 6.85,893 7.296,894 7.51,895 7.872,896 1,897 41,898 9.195,900 4.004,901 7.9,902 17.056,904 13.887,905 2.4,906 60,910 117.711,911 103.822,912 134.591,915 14.96,917 103.822,918 117.711,919 149.551,920 8.825,922 80.278,923 90.562,924 75.49,925 21.76,926 94.169,928 117.711,929 238.413,930 14.96,933 134.999,937 64.351,938 104.715,939 67.02,941 132.671,942 134.591,943 103.822,946 117.711,947 29.521,948 74.301,949 34.674,950 114.877,951 117.711,952 149.551,953 103.822,955 0.586,956 0.355,957 0.201,958 0.107,959 21,960 9,961 0.071,962 3,963 1,964 1.095,965 3.632,966 218.564,967 0.095,968 21,969 116.096,974 15.486,975 6.114,976 2.791,977 1.786,978 132.888,979 12.484,980 16.41,981 2.909,984 1.411,986 67.571,987 371.084,988 39,999 39.76,1000 44.489,1001 0.309,1002 0.744,1003 0.901,1004 0.967,1005 0.967,1006 0.967,1007 4.916,1008 1.427,1009 5.784,1010 3.697,1011 4.394,1012 5.059,1013 0.278,1014 6.627,1015 4.303,1016 6.155,1017 1.163,1018 7.362,1019 3.357,1020 4.007,1021 4.913,1023 7.579,1024 3.871,1025 7.482,1026 1,1027 9.043,1028 2.866,1029 6.014,1030 7.358,1031 0.05,1032 10.718,1033 5.842,1034 8.848,1035 0.667,1036 10.784,1037 2.234,1038 6.463,1039 8.058,1041 12.506,1042 6.249,1043 10.246,1044 0.379,1045 12.564,1046 1.684,1047 7.935,1048 9.952,1049 0.008,1050 15.157,1051 7.692,1052 11.667,1053 0.013,1054 14.371,1055 0.892,1056 8.764,1057 11.053,1059 17.279,1060 8.482,1061 13.107,1062 -0.39,1063 16.197,1064 0.034,1065 10.028,1066 12.713,1067 0.001,1068 19.759,1069 9.716,1070 3.182,1071 -0.561,1072 18.037,1073 -1.023,1074 11.028,1075 14.009,1077 22.023,1078 10.68,1079 3.039,1080 10.991,1081 19.887,1082 -1.331,1083 12.21,1084 15.565,1086 24.439,1087 11.831,1088 2.666,1089 10.229,1090 21.746,1091 4.462,1092 13.286,1093 16.954,1095 26.764,1096 12.871,1097 2.116,1098 8.385,1099 23.611,1100 4.242,1101 14.438,1102 18.465,1104 29.156,1105 13.99,1106 2.068,1107 6.392,1108 25.481,1109 3.657,1110 15.548,1111 19.9,1113 31.509,1114 15.064,1115 1.826,1116 5.743,1117 27.356,1118 2.867,1119 16.69,1120 21.391,1122 33.892,1123 16.171,1124 1.548,1125 5.417,1126 29.234,1127 2.749,1128 17.816,1129 22.848,1131 36.26,1132 17.261,1133 6393,1134 11336,1135 18.898,1136 27.023,1137 42.544,1138 42.846,1139 43.484,1140 42.166,1141 42.192,1142 58.802,1143 0.8,1144 123.841,1145 40.188,1146 5.347,1147 5.363,1148 6.432,1149 5.214,1150 5.182,1151 7.462,1152 0.8,1153 18.367,1154 5.054,1155 10.731,1156 1.519,1157 1.53,1158 1.553,1159 1.506,1160 1.507,1161 2.1,1162 0.029,1163 4.423,1164 1.435,1165 4.11,1166 4.153,1167 4.076,1168 3.998,1169 8.201,1170 4.012,1171 3.961,1172 4.002,1173 3.938,1174 3.838,1175 5.155,1176 3.856,1177 3.722,1178 3.778,1179 3.678,1180 3.55,1181 5.095,1182 3.576,1183 3.362,1184 3.437,1185 3.275,1186 3.164,1187 4.888,1188 3.181,1189 3.218,1190 3.307,1191 3.071,1192 3.032,1193 4.645,1194 3.025,1195 3.1,1196 3.171,1197 2.997,1198 2.932,1199 4.414,1200 2.943,1201 2.961,1202 3.055,1203 2.864,1204 2.743,1205 3.994,1206 2.76,1207 2.714,1208 2.792,1209 2.606,1210 2.513,1211 3.895,1212 2.531,1213 0.163,1214 0.12,1215 0.241,1216 0.148,1217 0.114,1218 4.555,1219 0.159,1220 3.363,1221 0.014,1222 6.751,1223 0.393,1224 4.141,1225 0.109,1226 3.182,1227 4.462,1228 0.4,1229 10.991,1230 3.054,1231 1.958,1232 1.931,1233 2.032,1234 2.076,1235 1.163,1236 2.061,1237 1.872,1238 1.843,1239 1.947,1240 1.993,1241 1.028,1242 1.981,1243 1.647,1244 1.596,1245 1.778,1246 1.838,1247 0.785,1248 1.822,1249 1.316,1250 1.236,1251 1.491,1252 1.641,1253 0.508,1254 1.593,1255 1.204,1256 1.127,1257 1.462,1258 1.459,1259 0.417,1260 1.481,1261 1.028,1262 0.974,1263 1.226,1264 1.232,1265 0.301,1266 1.23,1267 0.962,1268 0.887,1269 1.183,1270 1.187,1271 0.146,1272 1.207,1273 0.839,1274 0.747,1275 1.089,1276 1.172,1278 1.158,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.595,1285 8.554,1286 6.605,1287 10.237,1289 1.662,1291 14.469,1293 5.643,1296 3.227,1305 26.64,1306 63.689,1307 153.36,1308 185.766,1309 199.376,1310 199.376,1311 199.376,1312 38.134,1313 7.476,1314 105.4,1315 105.4,1316 23,1317 12.568,1318 4.524,1319 3.585,1320 35.678,1321 80,1322 63,1323 0.217,1324 163.751,1325 266.29,1326 391.312,1327 18407,1328 2.6,1329 17.389,1330 0.696,1331 0.531,1332 16.518,1333 13.286,1334 12.131,1335 0.433,1336 0.27,1337 7.444,1338 11.592,1339 7.29,1340 6.054,1341 11.704,1342 7.574,1343 11.067,1344 0.277,1345 0.137,1346 10.667,1347 5.48,1348 9.618,1349 0.175,1350 0.069,1351 8.867,1352 3.789,1353 8.287,1354 0.112,1355 0.036,1356 8.091,1357 2.66,1358 6.584,1359 0.072,1360 0.019,1361 6.13,1362 1.694,1363 0.33,1364 76.574,1365 0.23,1366 23.709,1367 0.63,1368 136,1369 456.67,1370 152.015,1371 425.798,1372 587.75,1373 398,1374 163,1375 447.63,1376 180.104,1377 447.903,1378 656.49,1379 422,1380 6.032}
{0 CHEMBL2165036,1 1.775,2 8.963,3 3.417,4 11.676,5 92.292,6 9.522,7 0.733,8 3.837,9 3.959,10 3.584,11 3.34,12 5.152,13 3.393,14 4.322,15 4.461,16 4.041,17 3.702,18 6.105,19 3.755,20 4.469,21 4.651,22 4.011,23 3.779,24 5.929,25 3.799,26 4.488,27 4.679,28 3.962,29 3.765,30 5.785,31 3.78,32 4.527,33 4.728,34 3.986,35 3.752,36 6.011,37 3.78,38 4.542,39 4.742,40 3.95,41 3.745,42 5.974,43 3.772,44 4.507,45 4.708,46 3.926,47 3.686,48 6.03,49 3.705,50 4.41,51 4.641,52 3.623,53 3.494,54 5.766,55 3.489,56 0.244,57 0.897,58 4.359,59 2.862,60 31.859,61 2.701,62 0.857,63 1.673,64 8.918,65 4.9,66 134.732,67 4.757,68 0.689,69 1.413,70 12.047,71 5.046,72 63.794,73 5.94,74 0.58,75 1.436,76 13.014,77 6.028,78 61.075,79 6.902,80 0.731,81 1.546,82 14.83,83 5.779,84 89.023,85 6.509,86 0.909,87 1.549,88 16.729,89 6.83,90 119.264,91 6.773,92 0.872,93 1.487,94 14.83,95 5.73,96 82.999,97 6.309,98 0.783,99 1.231,100 16.554,101 6.044,102 97.884,103 6.675,104 18,105 44,106 0.31,107 0.65,108 0.814,109 0.893,110 0.893,111 0.893,112 3.341,113 0.778,114 -4.51,115 -4.43,116 -4.17,119 43.6,132 1,142 6,143 2,144 1,145 2,146 1,147 2,149 1,152 1,163 1,164 1,165 1,168 1,172 4,174 1,175 6,177 1,178 2,180 6,183 5,185 1,187 3,192 3,195 2,198 1,199 7,201 1,202 3,203 1,204 5,207 3,209 1,212 2,217 1,220 3,222 1,223 2,224 5,226 1,227 3,228 1,229 2,231 1,232 6,234 1,237 2,242 1,245 3,249 1,250 5,253 1,255 4,258 2,260 2,263 1,268 1,273 1,275 1087,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 15.363,282 17.104,283 10.404,284 18.489,285 14.854,286 14.854,287 14.854,288 14.854,289 14.854,290 11.025,291 26.071,292 4.954,293 15.889,294 3.511,295 1.565,296 0.622,297 0.173,298 0.173,299 0.173,300 4.034,303 1,304 1,305 1,306 525,307 3.317,310 53.213,311 227.59,314 98.952,318 1.377,319 41.437,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62,331 242,332 4.545,333 4.461,334 7.125,335 4.196,336 3.339,337 4.462,338 3.825,339 11.746,340 3.027,341 4.499,342 3.175,343 6.568,344 4.057,345 3.092,346 4.135,347 0.4,348 10.435,349 2.939,350 4.279,351 2.992,352 6.456,353 3.911,354 2.949,355 3.727,357 10.021,358 2.716,359 3.771,360 2.579,361 5.452,362 3.343,363 2.419,364 3.107,366 7.134,367 2.217,368 3.478,369 2.198,370 5.173,371 3.046,372 2.093,373 2.856,375 6.219,376 1.991,377 3.229,378 1.892,379 4.845,380 2.764,381 1.825,382 2.506,384 5.26,385 1.709,386 3.048,387 1.731,388 4.448,389 2.536,390 1.548,391 2.321,393 4.25,394 1.528,395 2.876,396 1.548,397 4.134,398 2.405,399 1.437,400 2.038,402 3.678,403 1.393,404 2.793,405 1.469,406 3.943,407 2.31,408 1.426,409 1.885,411 3.24,412 1.232,413 2.529,414 1.057,415 3.595,416 1.99,417 1.041,418 1.542,420 2.684,421 0.983,422 2.5,423 1,424 3.412,425 1.97,426 1,427 1.5,428 2.234,429 0.968,430 2.094,431 0.727,432 3.244,433 1.621,434 0.662,435 0.927,436 1.678,437 0.633,438 1.381,439 0.51,440 2.844,441 0.994,442 0.044,443 0.058,445 0.113,446 0.042,447 0.992,448 0.51,449 2.798,450 0.548,451 -0.379,452 -0.489,454 -0.978,455 -0.349,456 0.912,457 0.139,458 2.584,459 0.502,460 -0.454,461 -0.596,463 -1.159,464 -0.434,465 12.157,466 0.45,467 0.843,468 0.031,469 39.5,470 1.463,471 21,472 0.778,473 18.5,474 0.685,475 17.877,476 0.662,477 28.643,478 0.734,479 31.774,480 1.177,481 8.074,482 0.299,483 4.84,484 0.179,485 0.103,486 0.041,487 0.329,490 3,493 0.668,494 0.965,495 0.599,496 0.876,497 0.662,498 0.745,499 0.463,500 0.849,501 0.618,502 0.977,503 0.38,504 0.91,505 0.489,506 0.705,507 0.806,508 0.932,509 0.436,510 0.994,511 0.618,512 0.913,513 0.82,514 1.096,515 0.552,516 1.077,517 0.787,518 0.925,519 0.888,520 0.979,521 0.642,522 0.971,523 1.226,524 1.011,525 1.128,526 0.942,527 1.279,528 0.978,529 0.878,530 0.884,531 1.058,532 1.036,533 0.93,534 1.111,535 1.159,536 1.062,537 1.2,538 1.096,539 1.161,540 1.148,541 6.5,542 0.178,543 3.333,544 1.875,545 1.507,546 1.066,547 0.632,548 0.397,549 0.31,550 0.235,551 8293,552 31577,553 2.088,554 30.8,556 6,558 2,559 4,564 1.706,565 1.94,566 3.184,567 1.808,569 1,573 69.218,574 1.775,575 3.721,576 4.663,577 5.112,578 5.112,579 5.112,580 2.509,581 4.505,582 4.732,583 3.356,584 1177.91,585 8.238,586 14821.1,587 1,588 1,589 1,590 1,591 206.131,592 1.596,593 4.673,594 0.217,595 0.01,596 0.076,597 0.044,598 0.037,599 0.026,600 0.016,601 0.011,602 0.011,603 0.011,604 0.458,605 0.17,606 1,607 0.76,608 131.652,609 -0.096,610 -0.053,611 -0.011,612 0.056,613 -0.15,614 0.077,615 0.389,616 0.189,617 0.106,618 -0.014,619 0.453,620 -0.068,621 0.162,622 0.121,624 -0.019,625 0.131,626 -0.075,627 0.018,628 -0.123,629 0.042,630 -0.154,631 0.01,632 -0.09,633 -0.004,634 -0.067,635 0.034,636 -0.033,637 0.105,638 0.009,639 -0.177,640 0.026,641 -0.145,642 0.069,643 -0.202,644 0.007,645 0.067,646 0.077,647 -0.098,648 -0.069,649 0.002,650 -0.142,651 -0.159,652 -0.137,653 -0.093,654 -0.079,655 -0.149,656 -0.059,657 5.956,658 5.028,659 0.778,660 20.25,661 1.046,662 1.158,663 3.275,664 10.728,665 0.69,666 3.434,667 3.807,668 4.06,669 4.344,670 4.575,671 4.635,672 4.787,673 4.852,674 4.89,675 4.956,676 5.809,677 0.703,678 371.36,679 3.434,680 5.004,681 5.861,682 6.763,683 7.64,684 8.541,685 9.425,686 10.325,687 11.213,688 12.111,689 17.9,693 1,697 2,699 4,703 2,704 8,705 4,706 1,709 6,711 22,722 1,724 1,731 39,733 22,734 1,735 30,737 42,738 17,739 16,740 3,741 3,746 4,747 5,752 1,757 1,761 16,762 1,777 1,778 1,779 3,781 12,782 9,783 4,784 10,790 7,794 0.75,803 1,805 1,806 1,811 1,812 3,815 1,840 3,846 3,848 27,849 1,855 1,860 1,869 3,877 13.917,878 6.979,879 5.694,880 2.068,881 4.504,882 1.59,883 1.054,884 4.171,885 12.14,886 3.738,887 4.41,888 5.035,889 5.666,890 6.2,891 6.495,892 6.931,893 7.323,894 7.565,895 7.937,896 0.833,897 43,898 10.492,900 5.132,901 8.299,902 17.883,904 14.603,905 2.799,906 75.583,910 94.169,911 103.112,912 134.591,915 44.88,917 103.112,918 94.169,919 179.471,922 89.755,923 90.562,924 111.249,925 6.8,926 70.627,927 7.76,928 94.169,929 237.702,930 44.88,933 96.497,934 44.88,937 63.285,938 105.07,939 67.02,941 139.049,942 134.591,943 103.112,946 101.928,947 20.4,948 74.952,949 34.674,950 144.797,951 94.169,952 179.471,953 103.112,955 0.595,956 0.339,957 0.185,958 0.104,959 23,960 10,961 0.071,962 3,963 1,964 1.095,965 3.766,966 241.786,967 0.095,968 21,969 123.627,974 17.255,975 6.527,976 3.419,977 1.621,978 162.808,979 13.129,980 15.107,981 2.851,984 -0.178,986 67.571,987 376.751,988 41,999 40.785,1000 45.168,1001 0.336,1002 0.704,1003 0.882,1004 0.967,1005 0.967,1006 0.967,1007 4.987,1008 1.437,1009 5.894,1010 4.25,1011 4.489,1012 5.097,1013 3.052,1014 6.763,1015 4.36,1016 6.239,1017 1.426,1018 7.495,1019 3.678,1020 4.29,1021 4.987,1022 3.903,1023 7.934,1024 4.001,1025 7.576,1026 1.041,1027 9.207,1028 3.24,1029 6.184,1030 7.377,1031 5.42,1032 10.969,1033 5.912,1034 8.951,1035 1,1036 10.986,1037 2.684,1038 6.781,1039 8.072,1040 6.69,1041 12.927,1042 6.348,1043 10.357,1044 0.662,1045 12.808,1046 2.234,1047 8.207,1048 9.95,1049 8.058,1050 15.54,1051 7.764,1052 11.784,1053 0.044,1054 14.659,1055 1.678,1056 9.137,1057 11.033,1058 9.388,1059 17.785,1060 8.557,1061 13.228,1062 -0.379,1063 16.529,1064 0.113,1065 10.395,1066 12.686,1067 10.734,1068 20.268,1069 9.775,1070 3.339,1071 -0.454,1072 18.415,1073 -0.978,1074 11.466,1075 13.964,1076 12.074,1077 22.622,1078 10.729,1079 3.092,1080 11.746,1081 20.312,1082 -1.159,1083 12.664,1084 15.515,1085 13.416,1086 25.065,1087 11.866,1088 2.949,1089 10.435,1090 22.217,1091 4.462,1092 13.794,1093 16.89,1094 14.758,1095 27.464,1096 12.893,1097 2.419,1098 10.021,1099 24.129,1100 4.135,1101 14.974,1102 18.396,1103 16.1,1104 29.899,1105 13.998,1106 2.093,1107 7.134,1108 26.046,1109 3.727,1110 16.13,1111 19.821,1112 17.441,1113 32.319,1114 15.057,1115 1.825,1116 6.219,1117 27.968,1118 3.107,1119 17.306,1120 21.308,1121 18.783,1122 34.753,1123 16.15,1124 1.548,1125 5.26,1126 29.894,1127 2.856,1128 18.475,1129 22.758,1130 20.124,1131 37.185,1132 17.225,1133 7915,1134 15656,1135 19.879,1136 26.898,1137 46.51,1138 45.715,1139 46.391,1140 46.016,1141 45.753,1142 62.128,1143 8.451,1144 137.385,1145 42.755,1146 5.339,1147 6.461,1148 6.806,1149 5.268,1150 5.339,1151 7.462,1152 5.335,1153 18.939,1154 5.027,1155 13.213,1156 1.55,1157 1.524,1158 1.546,1159 1.534,1160 1.525,1161 2.071,1162 0.282,1163 4.579,1164 1.425,1165 4.11,1166 4.153,1167 4.076,1168 3.998,1169 8.513,1170 4.012,1171 3.96,1172 4.002,1173 3.937,1174 3.838,1175 7.999,1176 3.855,1177 3.734,1178 3.786,1179 3.706,1180 3.55,1181 7.999,1182 3.58,1183 3.362,1184 3.437,1185 3.341,1186 3.164,1187 5.187,1188 3.181,1189 3.334,1190 3.389,1191 3.275,1192 3.023,1193 5.097,1194 3.084,1195 3.1,1196 3.171,1197 2.997,1198 2.932,1199 4.888,1200 2.944,1201 2.963,1202 3.06,1203 2.865,1204 2.743,1205 4.604,1206 2.76,1207 2.714,1208 2.793,1209 2.607,1210 2.513,1211 4.414,1212 2.531,1213 0.152,1214 0.149,1215 0.237,1216 0.14,1217 0.111,1218 4.545,1219 0.149,1220 4.461,1221 0.128,1222 7.125,1223 0.392,1224 4.196,1225 0.101,1226 3.339,1227 4.462,1228 3.825,1229 11.746,1230 3.027,1231 1.959,1232 1.931,1233 2.033,1234 2.076,1235 1.163,1236 2.062,1237 1.873,1238 1.844,1239 1.95,1240 1.993,1241 1.03,1242 1.98,1243 1.64,1244 1.592,1245 1.731,1246 1.84,1247 0.696,1248 1.811,1249 1.316,1250 1.236,1251 1.462,1252 1.641,1253 0.418,1254 1.593,1255 1.107,1256 1.068,1257 1.226,1258 1.476,1259 0.303,1260 1.386,1261 1.028,1262 0.974,1263 1.205,1264 1.233,1265 0.184,1266 1.227,1267 0.962,1268 0.886,1269 1.165,1270 1.187,1271 0.111,1272 1.207,1273 0.838,1274 0.747,1275 1.072,1276 1.174,1278 1.15,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.595,1285 8.644,1286 6.605,1287 10.32,1291 39.083,1293 5.552,1296 3.124,1301 -4.706,1305 27.407,1306 69.218,1307 145.111,1308 181.866,1309 199.376,1310 199.376,1311 199.376,1312 46.753,1313 7.637,1314 105.4,1315 105.4,1316 23,1317 12.636,1318 4.524,1319 3.585,1320 39.968,1321 93,1322 74,1323 0.208,1324 166.147,1325 278.43,1326 397.159,1327 22605,1328 7.7,1329 19.018,1330 0.704,1331 0.504,1332 16.518,1333 13.619,1334 12.915,1335 0.43,1336 0.259,1337 7.599,1338 12.194,1339 7.541,1340 6.201,1341 11.704,1342 7.779,1343 12.625,1344 0.287,1345 0.129,1346 10.667,1347 5.661,1348 9.856,1349 0.173,1350 0.067,1351 8.867,1352 3.821,1353 8.445,1354 0.111,1355 0.035,1356 8.091,1357 2.647,1358 7.004,1359 0.073,1360 0.018,1361 6.13,1362 1.725,1363 0.319,1364 82.661,1365 0.224,1366 25.41,1367 0.596,1368 148,1369 638.892,1370 177.201,1371 543.877,1372 722.82,1373 504,1374 175,1375 526.296,1376 199.297,1377 513.249,1378 770.91,1379 482,1380 5.495}
{0 CHEMBL2165037,1 1.513,2 8.269,3 2.247,4 5.051,5 93.689,6 8.56,7 0.867,8 3.855,9 3.983,10 3.553,11 3.403,12 5.056,13 3.424,14 4.32,15 4.48,16 3.925,17 3.785,18 5.498,19 3.794,20 4.468,21 4.658,22 3.921,23 3.842,24 5.579,25 3.831,26 4.492,27 4.687,28 3.914,29 3.841,30 5.617,31 3.822,32 4.517,33 4.726,34 3.858,35 3.853,36 5.591,37 3.819,38 4.54,39 4.746,40 3.878,41 3.866,42 5.664,43 3.824,44 4.539,45 4.779,46 3.681,47 3.798,48 5.542,49 3.724,50 4.372,51 4.618,52 3.501,53 3.597,54 5.367,55 3.516,56 0.088,57 0.722,58 6.111,59 2.757,60 7.124,61 3.218,62 0.205,63 1.118,64 11.126,65 4.622,66 16.235,67 5.669,68 0.251,69 1.233,70 14.45,71 5.298,72 20.584,73 6.623,74 0.303,75 1.254,76 14.983,77 5.577,78 23.191,79 7.057,80 0.297,81 1.248,82 16.304,83 5.801,84 23.67,85 7.383,86 0.338,87 1.282,88 16.334,89 6.184,90 27.424,91 7.948,92 0.287,93 1.185,94 18.872,95 6.617,96 28.553,97 8.878,98 0.251,99 0.992,100 16.303,101 5.845,102 24.012,103 8.033,104 2,105 43,106 0.259,107 0.668,108 0.834,109 0.892,110 0.892,111 0.892,112 3.306,113 0.812,114 -4.11,115 -4.06,116 -3.84,119 45,120 1,142 5,143 2,144 1,145 2,146 1,147 1,149 2,152 2,160 1,168 1,172 4,174 2,175 6,178 2,180 5,183 4,187 3,190 2,192 4,195 1,198 2,199 8,202 2,203 1,204 4,207 3,212 3,215 1,216 1,217 2,220 4,223 3,224 7,227 3,229 2,232 5,237 2,242 3,245 2,249 1,250 6,253 1,255 2,258 3,263 2,266 1,267 1,268 1,271 1,275 942,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.127,282 11.912,283 10.703,284 18.589,285 14.868,286 14.868,287 14.868,288 14.868,289 14.868,290 10.381,291 18.971,292 5.079,293 15.578,294 3.809,295 1.428,296 0.459,297 0.119,298 0.119,299 0.119,300 4.021,303 1,304 1,305 1,306 488,307 2.345,310 95.292,311 186.54,314 176.057,318 1.269,319 17.761,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56,331 215,332 4.635,333 3.255,334 6.814,335 4.181,336 3.219,337 4.561,338 0.4,339 11.295,340 3.099,341 4.512,342 3.092,343 6.521,344 4.025,345 3.049,346 4.458,348 10.257,349 2.976,350 4.15,351 2.777,352 6.123,353 3.676,354 2.725,355 3.812,357 8.917,358 2.586,359 3.569,360 2.341,361 5.312,362 3.096,363 2.165,364 2.993,366 6.542,367 2.023,368 3.501,369 2.214,370 5.061,371 3.072,372 2.122,373 2.881,375 5.952,376 2.005,377 3.325,378 1.898,379 5.015,380 2.814,381 1.872,382 2.691,384 5.674,385 1.759,386 3.048,387 1.548,388 4.272,389 2.536,390 1.548,391 2.321,393 3.74,394 1.528,395 2.877,396 1.471,397 4.076,398 2.405,399 1.427,400 2.041,402 3.508,403 1.393,404 2.708,405 1.244,406 3.66,407 2.171,408 1.234,409 1.804,411 2.988,412 1.153,413 2.58,414 1.106,415 3.494,416 2.009,417 1.09,418 1.619,420 2.441,421 1,422 2.5,423 1,424 3.412,425 1.97,426 1,427 1.5,428 2.234,429 0.968,430 2.112,431 0.74,432 3.39,433 1.632,434 0.679,435 0.952,436 1.718,437 0.645,438 2.056,439 0.629,440 3.243,441 1.519,442 0.592,443 0.856,445 1.574,446 0.548,447 1.378,448 0.129,449 2.804,450 0.979,451 0.033,452 0.043,454 0.084,455 0.031,456 1.04,457 -0.202,458 2.69,459 0.571,460 -0.368,461 -0.5,463 -0.968,464 -0.345,465 12.2,466 0.469,467 0.551,468 0.021,469 41,470 1.577,471 22.5,472 0.865,473 18.5,474 0.712,475 16.5,476 0.635,477 25.6,478 0.64,479 28.203,480 1.085,481 8.139,482 0.313,483 4.654,484 0.179,485 0.041,487 0.369,493 0.967,494 1.25,495 0.672,496 0.913,497 0.868,498 0.773,499 0.853,500 1.116,501 0.733,502 0.933,503 0.819,504 0.836,505 1.133,506 1.142,507 0.943,508 0.979,509 1.061,510 0.936,511 0.979,512 1.048,513 0.976,514 1.024,515 0.903,516 1.004,517 1.154,518 0.993,519 1.049,520 0.955,521 1.108,522 0.977,523 0.892,524 0.948,525 1.053,526 1.066,527 0.897,528 1.085,529 1.071,530 0.951,531 1.084,532 1,533 1.122,534 1.035,535 0.845,536 0.977,537 1.016,538 1.08,539 0.911,540 1.08,541 4,542 0.042,543 2.889,544 1.563,545 1.31,546 0.708,547 0.41,548 0.289,549 0.182,550 0.13,551 8002,552 21951,553 2.241,554 35,556 5,558 3,559 3,560 3,564 1.696,565 2.167,566 3.071,567 1.012,568 1,569 1,571 1,573 60.516,574 1.513,575 3.894,576 4.863,577 5.203,578 5.203,579 5.203,580 2.411,581 4.287,582 4.679,583 3.248,584 1055.49,585 8.134,586 12818.4,587 1,588 1,590 1,591 212.877,592 1.142,593 4.66,594 0.133,595 0.003,596 0.067,597 0.037,598 0.032,599 0.018,600 0.011,601 0.009,602 0.007,603 0.006,604 0.324,605 0.5,606 0.88,607 0.362,608 124.342,609 -0.082,610 -0.129,611 0.045,612 -0.008,613 -0.111,614 0.032,615 0.089,616 -0.035,617 0.068,618 -0.014,619 0.061,620 0.016,621 -0.137,622 -0.103,623 -0.059,624 -0.048,625 -0.121,626 -0.041,627 0.031,628 -0.015,629 -0.076,630 -0.091,631 0.036,632 -0.102,633 -0.172,634 0.011,635 -0.116,636 0.001,637 -0.153,638 -0.037,639 0.079,640 0.056,641 -0.125,642 -0.109,643 0.059,644 -0.146,645 -0.17,646 -0.033,647 -0.055,648 0.022,649 -0.148,650 0.009,651 0.049,652 -0.08,653 0.041,654 -0.046,655 0.053,656 -0.013,657 1.028,658 1.618,659 0.923,660 17.521,661 1.012,662 1.131,663 2.882,664 8.305,665 0.708,666 3.434,667 3.784,668 4.127,669 4.466,670 4.673,671 4.779,672 4.913,673 5.056,674 5.056,675 5.147,676 5.477,677 0.694,678 342.4,679 3.434,680 4.99,681 5.872,682 6.774,683 7.671,684 8.578,685 9.479,686 10.386,687 11.289,688 12.197,689 20,697 3,699 5,703 4,704 8,705 5,706 2,709 5,711 26,724 1,731 40,733 26,734 1,735 30,737 44,738 18,739 17,740 3,741 3,746 5,747 7,752 1,761 17,762 1,777 1,778 1,781 14,782 6,783 3,784 8,787 1,790 8,794 0.6,803 1,805 1,806 1,811 2,812 3,815 2,840 3,844 1,848 26,855 1,877 12,878 7.667,879 5.583,880 2.286,881 5.405,882 1.681,883 1.091,884 3.403,885 13.346,886 3.784,887 4.489,888 5.19,889 5.877,890 6.409,891 6.787,892 7.239,893 7.702,894 7.906,895 8.319,896 1,897 42,898 9.509,900 4.111,901 7.635,902 18.119,904 15.019,905 2.135,906 55.5,910 129.482,911 104.851,912 135.264,917 104.851,918 129.482,919 135.264,920 8.825,922 47.381,923 127.737,924 84.869,925 6.616,926 94.169,928 129.482,929 240.116,933 133.525,937 89.755,938 62.513,939 83.805,941 129.482,942 135.264,943 104.851,946 129.482,947 21.931,948 82.92,949 51.459,950 83.805,951 129.482,952 135.264,953 104.851,955 0.583,956 0.354,957 0.211,958 0.111,959 24,960 9,961 0.068,962 3,963 2,964 1.167,965 3.807,966 239.47,967 0.167,968 24,969 122.211,974 14.995,975 5.9,976 2.536,977 3.378,978 101.816,979 14.973,980 21.87,981 6.1,984 3.914,986 51.459,987 369.598,988 43,999 40.465,1000 45.232,1001 0.284,1002 0.732,1003 0.914,1004 0.978,1005 0.978,1006 0.978,1007 5.007,1008 1.427,1009 5.855,1010 3.74,1011 4.466,1012 5.176,1013 0.278,1014 6.706,1015 4.377,1016 6.246,1017 1.234,1018 7.428,1019 3.508,1020 4.007,1021 5.007,1023 7.662,1024 3.895,1025 7.573,1026 1.09,1027 9.106,1028 2.988,1029 6.084,1030 7.515,1031 0.05,1032 10.818,1033 5.92,1034 8.943,1035 1,1036 10.847,1037 2.441,1038 6.509,1039 8.25,1041 12.637,1042 6.323,1043 10.348,1044 0.679,1045 12.629,1046 2.234,1047 8.011,1048 10.162,1049 0.008,1050 15.291,1051 7.782,1052 11.779,1053 0.592,1054 14.44,1055 1.718,1056 8.836,1057 11.313,1059 17.447,1060 8.583,1061 13.228,1062 0.033,1063 16.271,1064 1.574,1065 10.114,1066 12.985,1067 0.001,1068 19.934,1069 9.825,1070 3.219,1071 -0.368,1072 18.117,1073 0.084,1074 11.119,1075 14.328,1077 22.227,1078 10.802,1079 3.049,1080 11.295,1081 19.973,1082 -0.968,1083 12.311,1084 15.9,1086 24.656,1087 11.96,1088 2.725,1089 10.257,1090 21.838,1091 4.561,1092 13.394,1093 17.331,1095 27.009,1096 13.013,1097 2.165,1098 8.917,1099 23.71,1100 4.458,1101 14.554,1102 18.862,1104 29.419,1105 14.14,1106 2.122,1107 6.542,1108 25.587,1109 3.812,1110 15.673,1111 20.333,1113 31.799,1114 15.226,1115 1.872,1116 5.952,1117 27.468,1118 2.993,1119 16.823,1120 21.847,1122 34.204,1123 16.343,1124 1.548,1125 5.674,1126 29.353,1127 2.881,1128 17.958,1129 23.336,1131 36.598,1132 17.444,1133 7285,1134 12217,1135 20.978,1136 28.33,1137 45.879,1138 45.507,1139 46.25,1140 45.477,1141 45.509,1142 65.065,1143 0.8,1144 133.851,1145 43.429,1146 5.428,1147 5.255,1148 6.495,1149 5.26,1150 5.219,1151 7.561,1152 0.8,1153 18.73,1154 5.099,1155 6.411,1156 1.529,1157 1.517,1158 1.542,1159 1.516,1160 1.517,1161 2.169,1162 0.027,1163 4.462,1164 1.448,1165 4.132,1166 4.178,1167 4.105,1168 4.008,1169 5.188,1170 4.024,1171 4.064,1172 4.112,1173 4.036,1174 3.921,1175 5.094,1176 3.945,1177 3.798,1178 3.848,1179 3.752,1180 3.654,1181 4.865,1182 3.673,1183 3.426,1184 3.509,1185 3.325,1186 3.21,1187 4.543,1188 3.224,1189 3.362,1190 3.437,1191 3.275,1192 3.164,1193 4.414,1194 3.181,1195 3.102,1196 3.172,1197 2.998,1198 2.944,1199 4.02,1200 2.952,1201 2.973,1202 3.042,1203 2.884,1204 2.818,1205 3.994,1206 2.826,1207 2.717,1208 2.811,1209 2.606,1210 2.524,1211 3.718,1212 2.536,1213 0.154,1214 0.108,1215 0.227,1216 0.139,1217 0.107,1218 4.635,1219 0.152,1220 3.255,1221 0.013,1222 6.814,1223 0.376,1224 4.181,1225 0.103,1226 3.219,1227 4.561,1228 0.4,1229 11.295,1230 3.099,1231 1.964,1232 1.936,1233 2.035,1234 2.086,1235 1.166,1236 2.069,1237 1.889,1238 1.86,1239 1.96,1240 2.001,1241 1.065,1242 1.992,1243 1.665,1244 1.618,1245 1.784,1246 1.839,1247 0.809,1248 1.825,1249 1.363,1250 1.278,1251 1.571,1252 1.666,1253 0.629,1254 1.637,1255 1.316,1256 1.236,1257 1.462,1258 1.64,1259 0.418,1260 1.593,1261 1.181,1262 1.102,1263 1.409,1264 1.407,1265 0.326,1266 1.429,1267 1.027,1268 0.973,1269 1.226,1270 1.219,1271 0.301,1272 1.214,1273 0.946,1274 0.872,1275 1.152,1276 1.186,1277 0.159,1278 1.205,1279 4.111,1281 5.451,1282 3.045,1283 6.991,1284 5.283,1285 8.629,1286 7.298,1287 10.319,1289 1.854,1296 3.411,1305 27.752,1306 60.516,1307 155.758,1308 194.513,1309 208.122,1310 208.122,1311 208.122,1312 27.085,1313 7.941,1314 108.06,1315 108.06,1316 28,1317 12.714,1318 4.755,1319 3.807,1320 33.681,1321 85,1322 68,1323 0.192,1324 168.619,1325 262.62,1326 403.189,1327 33682,1329 17.51,1330 0.673,1331 0.533,1332 17.51,1333 13.855,1334 12.793,1335 0.426,1336 0.271,1337 7.988,1338 12.264,1339 7.826,1340 6.491,1341 12.793,1342 8.117,1343 11.585,1344 0.269,1345 0.137,1346 11.585,1347 5.882,1348 10.244,1349 0.168,1350 0.069,1351 10.244,1352 4.198,1353 9.342,1354 0.109,1355 0.035,1356 9.342,1357 3.038,1358 7.402,1359 0.07,1360 0.018,1361 7.402,1362 1.96,1363 0.293,1364 80.298,1365 0.218,1366 24.498,1367 0.558,1368 146,1369 415.224,1370 160.654,1371 412.841,1372 590.13,1373 390,1374 177,1375 464.888,1376 192.82,1377 470.952,1378 692.94,1379 445,1380 7.409}
{0 CHEMBL2165038,1 1.48,2 8.269,3 2.897,4 8.393,5 94.76,6 8.327,7 0.867,8 3.867,9 3.993,10 3.545,11 3.435,12 5.04,13 3.446,14 4.339,15 4.496,16 3.921,17 3.822,18 5.494,19 3.818,20 4.506,21 4.702,22 3.918,23 3.88,24 5.585,25 3.856,26 4.505,27 4.697,28 3.907,29 3.881,30 5.603,31 3.849,32 4.552,33 4.761,34 3.859,35 3.893,36 5.601,37 3.846,38 4.574,39 4.787,40 3.873,41 3.896,42 5.664,43 3.844,44 4.555,45 4.794,46 3.673,47 3.837,48 5.538,49 3.752,50 4.397,51 4.637,52 3.492,53 3.661,54 5.353,55 3.562,56 0.048,57 0.707,58 6.643,59 2.924,60 6.335,61 3.521,62 0.171,63 1.115,64 11.944,65 4.995,66 15.191,67 6.288,68 0.223,69 1.257,70 16.094,71 5.826,72 20.343,73 7.506,74 0.242,75 1.26,76 15.722,77 5.973,78 21.009,79 7.692,80 0.246,81 1.28,82 17.541,83 6.394,84 21.907,85 8.343,86 0.3,87 1.31,88 18.132,89 6.681,90 27.795,91 8.813,92 0.25,93 1.208,94 19.511,95 6.929,96 28.019,97 9.327,98 0.175,99 1.015,100 16.703,101 6.414,102 20.719,103 8.835,104 2,105 43,106 0.253,107 0.642,108 0.814,109 0.886,110 0.895,111 0.895,112 3.306,113 0.826,114 -4.28,115 -4.22,116 -3.98,119 46.3,120 1,142 6,143 2,144 1,145 1,146 1,147 1,149 2,151 1,152 2,160 1,172 5,174 2,175 5,178 2,180 6,183 4,187 2,190 2,192 5,195 3,198 2,199 6,202 1,203 1,204 4,207 4,212 4,215 1,216 1,217 2,220 5,223 2,224 6,227 3,229 2,232 6,237 2,242 3,245 3,250 5,253 1,255 3,258 3,263 4,267 1,268 1,271 2,275 942,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.127,282 11.912,283 10.703,284 18.588,285 14.868,286 14.868,287 14.868,288 14.868,289 14.868,290 10.381,291 18.971,292 5.079,293 15.577,294 3.877,295 1.599,296 0.592,297 0.165,298 0.116,299 0.116,300 4.021,303 1,304 1,305 1,306 488,307 2.345,310 95.292,311 186.54,314 176.057,318 1.269,319 16.491,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55.5,331 215,332 4.635,333 3.255,334 6.814,335 4.181,336 3.219,337 4.561,338 0.4,339 11.295,340 3.099,341 4.512,342 3.092,343 6.521,344 4.026,345 3.049,346 4.458,348 10.257,349 2.978,350 4.15,351 2.777,352 6.123,353 3.676,354 2.725,355 3.812,357 8.917,358 2.586,359 3.569,360 2.341,361 5.312,362 3.095,363 2.165,364 2.993,366 6.542,367 2.018,368 3.501,369 2.214,370 5.061,371 3.07,372 2.122,373 2.881,375 5.952,376 2.003,377 3.325,378 1.898,379 5.015,380 2.813,381 1.872,382 2.691,384 5.674,385 1.757,386 3.048,387 1.548,388 4.272,389 2.544,390 1.548,391 2.321,393 3.74,394 1.542,395 2.877,396 1.471,397 4.076,398 2.404,399 1.427,400 2.041,402 3.508,403 1.391,404 2.708,405 1.244,406 3.66,407 2.171,408 1.234,409 1.804,411 2.988,412 1.153,413 2.58,414 1.106,415 3.494,416 2.009,417 1.09,418 1.619,420 2.441,421 1,422 2.5,423 1,424 3.412,425 1.971,426 1,427 1.5,428 2.234,429 0.969,430 2.112,431 0.74,432 3.39,433 1.624,434 0.679,435 0.952,436 1.718,437 0.639,438 2.056,439 0.629,440 3.243,441 1.518,442 0.592,443 0.856,445 1.574,446 0.547,447 1.378,448 0.129,449 2.804,450 0.982,451 0.033,452 0.043,454 0.084,455 0.031,456 1.04,457 -0.202,458 2.69,459 0.572,460 -0.368,461 -0.5,463 -0.968,464 -0.345,465 12.3,466 0.473,467 0.551,468 0.021,469 41,470 1.577,471 22.5,472 0.865,473 18.5,474 0.712,475 16.529,476 0.636,477 25.5,478 0.622,479 28.174,480 1.084,481 8.124,482 0.312,483 4.668,484 0.18,485 0.041,487 0.366,493 1.054,494 1.293,495 0.696,496 0.916,497 0.925,498 0.781,499 0.813,500 1.098,501 0.75,502 0.946,503 0.769,504 0.86,505 1.153,506 1.092,507 0.938,508 0.938,509 1.079,510 0.91,511 0.997,512 1.072,513 0.983,514 1.034,515 0.913,516 1.012,517 1.124,518 1.024,519 1.044,520 0.994,521 1.073,522 1.004,523 0.949,524 0.952,525 1.024,526 1.012,527 0.933,528 1.027,529 1.137,530 0.888,531 1.103,532 0.948,533 1.207,534 1.005,535 0.789,536 1.02,537 1.025,538 1.131,539 0.88,540 1.12,541 4,542 0.042,543 2.889,544 1.563,545 1.31,546 0.708,547 0.41,548 0.289,549 0.182,550 0.13,551 8002,552 20807,553 2.241,554 36.6,556 6,557 1,558 2,559 3,560 3,564 1.696,565 2.167,566 3.071,567 0.974,568 1,569 1,571 1,573 60.694,574 1.48,575 3.759,576 4.766,577 5.193,578 5.242,579 5.242,580 2.411,581 4.287,582 4.679,583 3.248,584 1055.49,585 8.134,586 12818.4,587 1,588 1,590 1,591 219.66,592 1.142,593 4.66,594 0.133,595 0.003,596 0.067,597 0.037,598 0.032,599 0.018,600 0.011,601 0.009,602 0.007,603 0.006,604 0.324,605 0.33,606 0.88,607 0.362,608 124.342,609 -0.149,610 -0.186,611 0.044,612 -0.015,613 -0.152,614 0.034,615 0.154,616 -0.021,617 0.066,618 -0.031,619 0.113,620 -0.004,621 -0.101,622 -0.053,623 -0.028,624 -0.01,625 -0.09,626 -0.008,627 0.03,628 -0.033,629 -0.086,630 -0.106,631 0.028,632 -0.113,633 -0.117,634 -0.017,635 -0.106,636 -0.043,637 -0.108,638 -0.066,639 0.074,640 0.052,641 -0.073,642 -0.06,643 0.079,644 -0.085,645 -0.208,646 0.053,647 -0.092,648 0.056,649 -0.203,650 0.012,651 0.035,652 -0.121,653 -0.002,654 -0.096,655 0.025,656 -0.063,657 1.018,658 1.63,659 0.923,660 17.521,661 1.006,662 1.126,663 3.05,664 9.305,665 0.709,666 3.434,667 3.784,668 4.127,669 4.466,670 4.673,671 4.779,672 4.913,673 5.056,674 5.056,675 5.147,676 5.477,677 0.689,678 341.41,679 3.434,680 4.99,681 5.872,682 6.774,683 7.671,684 8.578,685 9.479,686 10.386,687 11.289,688 12.197,689 17.1,697 3,699 4,703 4,704 9,705 4,706 2,709 5,711 26,724 1,731 41,733 26,734 1,735 30,737 45,738 19,739 18,740 3,741 3,746 5,747 7,752 1,761 18,762 1,777 1,778 1,781 15,782 5,783 3,784 7,787 1,790 7,794 0.6,805 1,806 1,807 1,811 2,812 3,815 2,840 3,844 1,848 26,855 1,877 12,878 7.8,879 5.583,880 2.364,881 5.405,882 1.681,883 1.095,884 3.437,885 13.346,886 3.784,887 4.489,888 5.19,889 5.877,890 6.409,891 6.787,892 7.239,893 7.702,894 7.906,895 8.319,896 1,897 42,898 9.524,900 4.116,901 7.596,902 18.249,904 15.192,905 2.096,906 54.5,909 1,910 141.253,911 114.328,912 118.724,917 114.328,918 141.253,919 118.724,920 8.825,922 65.905,923 99.303,924 75.944,925 18.387,926 105.94,928 141.253,929 233.052,933 145.296,937 80.83,938 81.036,939 67.142,941 141.253,942 118.724,943 114.328,946 141.253,947 21.931,948 92.396,949 51.582,950 67.142,951 141.253,952 118.724,953 114.328,955 0.583,956 0.354,957 0.211,958 0.111,959 24,960 9,961 0.067,962 3,963 2,964 1.167,965 3.807,966 239.47,967 0.167,968 24,969 122.211,974 15.055,975 5.936,976 2.554,977 3.623,978 85.153,979 17.345,980 17.809,981 6.36,984 4.05,986 51.582,987 374.305,988 43,999 41.247,1000 46.149,1001 0.276,1002 0.702,1003 0.89,1004 0.969,1005 0.978,1006 0.978,1007 5.007,1008 1.427,1009 5.855,1010 3.74,1011 4.466,1012 5.176,1013 0.278,1014 6.706,1015 4.377,1016 6.246,1017 1.234,1018 7.428,1019 3.508,1020 4.007,1021 5.007,1023 7.662,1024 3.895,1025 7.573,1026 1.09,1027 9.106,1028 2.988,1029 6.084,1030 7.515,1031 0.05,1032 10.818,1033 5.92,1034 8.943,1035 1,1036 10.847,1037 2.441,1038 6.509,1039 8.25,1041 12.637,1042 6.323,1043 10.348,1044 0.679,1045 12.629,1046 2.234,1047 8.011,1048 10.162,1049 0.008,1050 15.291,1051 7.783,1052 11.779,1053 0.592,1054 14.44,1055 1.718,1056 8.836,1057 11.313,1059 17.447,1060 8.584,1061 13.228,1062 0.033,1063 16.271,1064 1.574,1065 10.114,1066 12.985,1067 0.001,1068 19.934,1069 9.827,1070 3.219,1071 -0.368,1072 18.117,1073 0.084,1074 11.119,1075 14.328,1077 22.227,1078 10.804,1079 3.049,1080 11.295,1081 19.973,1082 -0.968,1083 12.311,1084 15.9,1086 24.656,1087 11.962,1088 2.725,1089 10.257,1090 21.838,1091 4.561,1092 13.394,1093 17.331,1095 27.009,1096 13.015,1097 2.165,1098 8.917,1099 23.71,1100 4.458,1101 14.554,1102 18.862,1104 29.419,1105 14.143,1106 2.122,1107 6.542,1108 25.587,1109 3.812,1110 15.673,1111 20.333,1113 31.799,1114 15.229,1115 1.872,1116 5.952,1117 27.468,1118 2.993,1119 16.823,1120 21.847,1122 34.204,1123 16.346,1124 1.548,1125 5.674,1126 29.353,1127 2.881,1128 17.958,1129 23.336,1131 36.598,1132 17.448,1133 7285,1134 11897,1135 20.978,1136 29.086,1137 45.879,1138 45.507,1139 46.25,1140 45.474,1141 45.509,1142 65.065,1143 0.8,1144 133.851,1145 43.431,1146 5.428,1147 5.255,1148 6.495,1149 5.26,1150 5.219,1151 7.561,1152 0.8,1153 18.73,1154 5.099,1155 6.411,1156 1.529,1157 1.517,1158 1.542,1159 1.516,1160 1.517,1161 2.169,1162 0.027,1163 4.462,1164 1.448,1165 4.141,1166 4.183,1167 4.109,1168 4.038,1169 5.186,1170 4.048,1171 4.072,1172 4.118,1173 4.042,1174 3.929,1175 4.997,1176 3.954,1177 3.8,1178 3.85,1179 3.753,1180 3.656,1181 4.849,1182 3.675,1183 3.426,1184 3.509,1185 3.325,1186 3.272,1187 4.543,1188 3.271,1189 3.406,1190 3.468,1191 3.304,1192 3.21,1193 4.323,1194 3.224,1195 3.103,1196 3.173,1197 3,1198 2.944,1199 4.02,1200 2.952,1201 2.973,1202 3.043,1203 2.884,1204 2.818,1205 3.989,1206 2.826,1207 2.718,1208 2.811,1209 2.606,1210 2.525,1211 3.717,1212 2.537,1213 0.154,1214 0.108,1215 0.227,1216 0.139,1217 0.107,1218 4.635,1219 0.152,1220 3.255,1221 0.013,1222 6.814,1223 0.376,1224 4.181,1225 0.103,1226 3.219,1227 4.561,1228 0.4,1229 11.295,1230 3.099,1231 1.964,1232 1.936,1233 2.035,1234 2.086,1235 1.167,1236 2.069,1237 1.889,1238 1.86,1239 1.96,1240 2.002,1241 1.066,1242 1.992,1243 1.665,1244 1.618,1245 1.785,1246 1.84,1247 0.81,1248 1.826,1249 1.483,1250 1.421,1251 1.656,1252 1.695,1253 0.66,1254 1.69,1255 1.363,1256 1.277,1257 1.571,1258 1.665,1259 0.629,1260 1.637,1261 1.181,1262 1.102,1263 1.409,1264 1.407,1265 0.327,1266 1.429,1267 1.029,1268 0.974,1269 1.226,1270 1.231,1271 0.303,1272 1.23,1273 0.975,1274 0.906,1275 1.187,1276 1.186,1277 0.231,1278 1.206,1279 4.111,1281 5.451,1282 3.045,1283 6.991,1284 5.283,1285 8.629,1286 7.298,1287 10.319,1289 1.863,1296 3.451,1305 28.257,1306 60.694,1307 154.111,1308 195.395,1309 212.905,1310 214.905,1311 214.905,1312 26.67,1313 7.941,1314 95.17,1315 95.17,1316 28,1317 12.714,1318 4.755,1319 3.807,1320 33.681,1321 85,1322 68,1323 0.192,1324 171.417,1325 268.92,1326 410.017,1327 33682,1329 17.51,1330 0.673,1331 0.538,1332 17.51,1333 13.985,1334 12.793,1335 0.426,1336 0.275,1337 8.142,1338 12.333,1339 7.968,1340 6.61,1341 12.793,1342 8.257,1343 11.585,1344 0.269,1345 0.139,1346 11.585,1347 5.99,1348 10.244,1349 0.168,1350 0.071,1351 10.244,1352 4.308,1353 9.342,1354 0.109,1355 0.037,1356 9.342,1357 3.155,1358 7.402,1359 0.07,1360 0.019,1361 7.402,1362 2.028,1363 0.293,1364 79.798,1365 0.218,1366 24.498,1367 0.558,1368 146,1369 395.579,1370 159.266,1371 395.19,1372 567.89,1373 374,1374 177,1375 447.761,1376 191.072,1377 455.005,1378 671.82,1379 431,1380 6.721}
{0 CHEMBL2165039,1 1.628,2 9.64,3 1.84,4 3.384,5 89.736,6 8.335,7 0.786,8 3.836,9 3.957,10 3.505,11 3.335,12 5.044,13 3.363,14 4.305,15 4.474,16 3.851,17 3.676,18 5.497,19 3.693,20 4.41,21 4.596,22 3.864,23 3.742,24 5.574,25 3.746,26 4.423,27 4.612,28 3.814,29 3.763,30 5.542,31 3.743,32 4.481,33 4.684,34 3.82,35 3.812,36 5.583,37 3.772,38 4.532,39 4.752,40 3.77,41 3.781,42 5.618,43 3.727,44 4.454,45 4.706,46 3.524,47 3.624,48 5.485,49 3.554,50 4.249,51 4.5,52 3.353,53 3.415,54 5.239,55 3.341,56 0.075,57 0.681,58 6.541,59 2.873,60 6.515,61 3.49,62 0.33,63 1.021,64 12.97,65 4.64,66 22.445,67 5.839,68 0.314,69 1.131,70 14.467,71 4.766,72 25.186,73 6.13,74 0.312,75 1.128,76 14.822,77 5.263,78 23.328,79 6.785,80 0.327,81 1.181,82 16.148,83 5.902,84 24.309,85 7.997,86 0.332,87 1.193,88 17.99,89 6.391,90 27.816,91 8.768,92 0.413,93 1.033,94 18.429,95 5.4,96 33.589,97 7.615,98 0.233,99 0.804,100 15.485,101 5.303,102 22.192,103 7.535,104 6,105 39,106 0.283,107 0.669,108 0.84,109 0.883,110 0.883,111 0.883,112 3.268,113 0.819,114 -4.21,115 -4.16,116 -3.93,119 42.5,120 1,124 1,142 4,143 1,144 1,145 2,146 2,147 2,149 1,160 1,161 1,172 3,174 2,175 7,178 3,180 2,183 1,186 2,187 5,190 1,192 2,198 1,199 4,202 2,204 3,207 2,211 2,212 5,215 2,217 1,220 3,223 1,224 4,227 2,228 1,229 2,232 3,236 2,237 4,245 1,249 1,250 3,255 1,258 1,262 2,263 3,266 1,268 1,271 1,275 917,276 17.317,277 17.317,278 17.317,279 17.317,280 17.317,281 14.723,282 16.226,283 10.246,284 17.932,285 13.797,286 13.797,287 13.797,288 13.797,289 13.797,290 9.913,291 23.622,292 4.811,293 14.714,294 3.694,295 1.469,296 0.488,297 0.238,298 0.238,299 0.238,300 3.968,303 1,304 1,305 1,306 531,307 2.449,310 48.054,311 206.84,314 88.558,318 1.494,319 19.573,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54.5,331 241,332 4.632,333 3.242,334 6.812,335 4.175,336 3.213,337 4.559,338 0.86,339 11.286,340 3.091,341 4.191,342 2.926,343 6.141,344 3.739,345 2.794,346 3.842,347 0.4,348 9.004,349 2.638,350 3.997,351 2.792,352 5.505,353 3.531,354 2.588,355 3.604,357 7.367,358 2.443,359 3.568,360 2.41,361 5.241,362 3.108,363 2.185,364 2.99,366 6.487,367 2.01,368 3.49,369 2.339,370 5.015,371 3.087,372 2.156,373 2.802,375 5.952,376 1.998,377 3.319,378 1.934,379 4.996,380 2.82,381 1.885,382 2.662,384 5.661,385 1.757,386 2.867,387 1.485,388 4.219,389 2.397,390 1.421,391 2.026,393 3.547,394 1.383,395 2.706,396 1.245,397 3.657,398 2.17,399 1.233,400 1.802,402 2.984,403 1.152,404 2.58,405 1.112,406 3.494,407 2.009,408 1.09,409 1.619,411 2.441,412 1,413 2.5,414 1.102,415 3.414,416 1.959,417 1,418 1.5,420 2.275,421 0.957,422 2.076,423 1,424 3.39,425 1.543,426 0.632,427 0.889,428 1.629,429 0.573,430 1.754,431 0.648,432 2.997,433 1.44,434 0.572,435 0.659,436 1.013,437 0.494,438 1.334,439 0.303,440 2.738,441 0.988,442 0.073,443 0.089,445 0.156,446 0.066,447 1.017,448 -0.201,449 2.577,450 0.564,451 -0.362,452 -0.481,454 -0.872,455 -0.334,456 0.83,457 -0.217,458 2.239,459 0.442,460 -0.495,461 -0.613,463 -1.123,464 -0.461,465 11.633,466 0.465,467 0.516,468 0.021,469 39,470 1.56,471 21,472 0.84,473 18,474 0.72,475 15.499,476 0.62,477 25.567,478 0.639,479 26.978,480 1.079,481 7.855,482 0.314,483 4.386,484 0.175,485 0.086,487 0.344,493 0.982,494 1.483,495 0.687,496 1.103,497 0.893,498 0.881,499 1.042,500 1.041,501 0.747,502 0.825,503 0.901,504 0.759,505 1.143,506 1.112,507 0.949,508 0.918,509 1.097,510 0.889,511 1.048,512 1.079,513 1.013,514 0.991,515 1.045,516 0.992,517 0.706,518 1.041,519 0.965,520 1.03,521 0.811,522 1.035,523 0.784,524 1.124,525 1.015,526 1.151,527 0.883,528 1.131,529 1.065,530 0.814,531 1.168,532 0.874,533 1.171,534 0.989,535 0.789,536 0.986,537 0.858,538 1.05,539 0.752,540 0.983,541 4.5,542 0.104,543 2.444,544 1.375,545 1.399,546 0.74,547 0.427,548 0.332,549 0.194,550 0.123,551 7011,552 20381,553 2.154,554 37.5,556 7,558 3,559 2,560 3,564 1.684,565 2.055,566 3.211,567 0.352,568 1,569 1,571 1,573 65.135,574 1.628,575 3.853,576 4.834,577 5.084,578 5.084,579 5.084,580 2.675,581 4.294,582 4.614,583 3.375,584 1012.63,585 7.999,586 11967.2,587 1,588 1,590 1,591 212.877,592 1.26,593 4.592,594 0.161,595 0.01,596 0.063,597 0.035,598 0.038,599 0.02,600 0.013,601 0.013,602 0.009,603 0.007,604 0.368,605 0.33,606 1,607 0.663,608 119.118,609 -0.123,610 -0.336,611 0.055,612 -0.137,613 -0.128,614 -0.027,615 0.066,616 0.037,617 0.126,618 0.118,619 0.087,620 0.121,621 -0.151,622 -0.017,623 -0.072,624 -0.005,625 -0.11,626 -0.018,627 -0.128,628 -0.014,629 -0.133,630 -0.043,631 -0.14,632 -0.084,633 0.051,634 0.001,635 -0.072,636 -0.06,637 0.026,638 -0.085,639 0.033,640 -0.132,641 -0.069,642 -0.176,643 0.018,644 -0.154,645 -0.145,646 0.154,647 -0.15,648 0.075,649 -0.186,650 -0.006,651 0.074,652 -0.112,653 0.195,654 -0.017,655 0.2,656 0.092,657 1.114,658 1.582,659 0.84,660 18.787,661 1.014,662 1.134,663 2.985,664 8.909,665 0.689,666 3.367,667 3.689,668 3.989,669 4.29,670 4.533,671 4.605,672 4.71,673 4.828,674 4.828,675 4.875,676 5.703,677 0.674,678 333.39,679 3.367,680 4.905,681 5.765,682 6.65,683 7.53,684 8.422,685 9.31,686 10.205,687 11.097,688 11.995,689 17.5,697 2,699 5,703 2,704 7,705 5,706 1,709 6,711 22,724 1,729 1,731 40,733 22,735 28,737 43,738 17,739 15,746 4,747 5,752 1,761 15,762 2,777 1,778 1,781 15,782 7,783 2,784 8,787 1,790 7,794 0.75,795 1,805 2,806 1,811 1,812 3,815 1,840 3,844 2,848 25,855 1,856 1,870 2.5,875 1,877 12.167,878 8,879 5.528,880 2.196,881 4.431,882 1.592,883 1.023,884 4.001,885 11.916,886 3.689,887 4.347,888 4.995,889 5.646,890 6.217,891 6.533,892 6.966,893 7.412,894 7.662,895 8.029,896 1,897 39,898 9.129,900 3.821,901 7.693,902 17.247,904 13.703,905 2.193,906 54.833,910 153.024,911 106.356,912 118.724,914 11,917 106.356,918 164.024,919 118.724,920 19.708,922 37.905,923 129.575,924 77.062,925 7.143,926 117.711,928 153.024,929 225.08,930 11,933 155.352,934 11,937 76.951,938 61.873,939 83.928,941 153.024,942 129.724,943 106.356,946 153.024,947 22.029,948 84.327,949 34.796,950 94.928,951 153.024,952 129.724,953 106.356,955 0.575,956 0.344,957 0.195,958 0.109,959 20,960 8,961 0.093,962 4,963 1,964 1.095,965 3.708,966 214.904,967 0.095,968 21,969 116.096,974 15.486,975 6.458,976 3.019,977 1.401,978 112.938,979 12.487,980 21.908,981 3.025,984 4.229,986 34.796,987 389.104,988 39,999 40.574,1000 45.358,1001 0.306,1002 0.724,1003 0.908,1004 0.955,1005 0.955,1006 0.955,1007 4.902,1008 1.233,1009 5.74,1010 3.547,1011 4.369,1012 5.034,1013 1.029,1014 6.555,1015 4.25,1016 6.123,1017 1.09,1018 7.294,1019 2.984,1020 3.892,1021 4.808,1023 7.455,1024 3.74,1025 7.436,1026 1,1027 8.948,1028 2.441,1029 5.958,1030 7.309,1031 0.763,1032 10.585,1033 5.739,1034 8.788,1035 0.632,1036 10.665,1037 2.275,1038 6.33,1039 7.947,1041 12.354,1042 6.08,1043 10.173,1044 0.572,1045 12.423,1046 1.629,1047 7.835,1048 9.876,1049 0.597,1050 15.004,1051 7.532,1052 11.582,1053 0.073,1054 14.21,1055 1.013,1056 8.608,1057 10.939,1059 17.142,1060 8.276,1061 13.009,1062 -0.362,1063 16.02,1064 0.156,1065 9.887,1066 12.623,1067 0.47,1068 19.636,1069 9.511,1070 3.213,1071 -0.495,1072 17.847,1073 -0.872,1074 10.856,1075 13.906,1077 21.933,1078 10.45,1079 2.794,1080 11.286,1081 19.688,1082 -1.123,1083 12.046,1084 15.481,1085 0.367,1086 24.374,1087 11.601,1088 2.588,1089 9.004,1090 21.542,1091 4.559,1092 13.11,1093 16.877,1095 26.739,1096 12.633,1097 2.185,1098 7.367,1099 23.404,1100 3.842,1101 14.268,1102 18.408,1103 0.283,1104 29.163,1105 13.755,1106 2.156,1107 6.487,1108 25.275,1109 3.604,1110 15.378,1111 19.86,1113 31.558,1114 14.831,1115 1.885,1116 5.952,1117 27.153,1118 2.99,1119 16.528,1120 21.374,1121 0.217,1122 33.978,1123 15.946,1124 1.421,1125 5.661,1126 29.036,1127 2.802,1128 17.66,1129 22.855,1131 36.387,1132 17.044,1133 6647,1134 11473,1135 19.186,1136 27.54,1137 41.934,1138 42.107,1139 42.904,1140 41.601,1141 41.686,1142 58.085,1143 2.52,1144 119.604,1145 39.125,1146 5.418,1147 5.242,1148 6.493,1149 5.253,1150 5.213,1151 7.559,1152 1.72,1153 18.711,1154 5.035,1155 9.219,1156 1.498,1157 1.504,1158 1.532,1159 1.486,1160 1.489,1161 2.074,1162 0.09,1163 4.272,1164 1.397,1165 4.103,1166 4.153,1167 4.082,1168 3.95,1169 5.184,1170 3.977,1171 3.9,1172 3.946,1173 3.857,1174 3.751,1175 4.996,1176 3.772,1177 3.767,1178 3.809,1179 3.716,1180 3.636,1181 4.849,1182 3.651,1183 3.419,1184 3.501,1185 3.319,1186 3.205,1187 4.547,1188 3.219,1189 3.274,1190 3.336,1191 3.129,1192 3.002,1193 4.409,1194 3.021,1195 3.037,1196 3.109,1197 2.923,1198 2.881,1199 4.022,1200 2.882,1201 2.949,1202 3.04,1203 2.797,1204 2.732,1205 3.948,1206 2.733,1207 2.762,1208 2.848,1209 2.624,1210 2.555,1211 3.789,1212 2.565,1213 0.165,1214 0.116,1215 0.243,1216 0.149,1217 0.115,1218 4.632,1219 0.163,1220 3.242,1221 0.031,1222 6.812,1223 0.403,1224 4.175,1225 0.11,1226 3.213,1227 4.559,1228 0.86,1229 11.286,1230 3.091,1231 1.932,1232 1.899,1233 1.996,1234 2.074,1235 1.081,1236 2.052,1237 1.801,1238 1.766,1239 1.894,1240 1.965,1241 0.933,1242 1.943,1243 1.666,1244 1.618,1245 1.788,1246 1.846,1247 0.809,1248 1.831,1249 1.337,1250 1.252,1251 1.57,1252 1.641,1253 0.6,1254 1.611,1255 1.225,1256 1.149,1257 1.533,1258 1.521,1259 0.575,1260 1.536,1261 1.207,1262 1.137,1263 1.464,1264 1.433,1265 0.405,1266 1.461,1267 0.955,1268 0.881,1269 1.177,1270 1.201,1271 0.23,1272 1.203,1273 0.774,1274 0.714,1275 1.015,1276 0.985,1277 0.066,1278 1.004,1279 4.043,1281 5.361,1282 2.398,1283 6.882,1284 4.595,1285 8.499,1286 6.605,1287 10.167,1289 3.43,1296 3.271,1297 5.082,1305 26.972,1306 65.135,1307 154.106,1308 193.367,1309 203.367,1310 203.367,1311 203.367,1312 27.237,1313 7.485,1314 101.5,1315 101.5,1316 23,1317 12.519,1318 4.524,1319 3.585,1320 35.788,1321 83,1322 106,1323 0.208,1324 166.549,1325 269.01,1326 398.14,1327 18537,1329 17.225,1330 0.689,1331 0.547,1332 17.225,1333 13.686,1334 12.242,1335 0.437,1336 0.273,1337 7.491,1338 11.629,1339 7.291,1340 6.091,1341 12.242,1342 7.646,1343 10.834,1344 0.278,1345 0.137,1346 10.834,1347 5.333,1348 9.345,1349 0.176,1350 0.069,1351 9.345,1352 3.662,1353 8.063,1354 0.112,1355 0.035,1356 8.063,1357 2.543,1358 6.623,1359 0.072,1360 0.018,1361 6.623,1362 1.672,1363 0.32,1364 77.606,1365 0.228,1366 23.952,1367 0.592,1368 134,1369 420.627,1370 150.255,1371 408.52,1372 574.08,1373 386,1374 159,1375 439.799,1376 175.591,1377 445.35,1378 651.06,1379 418,1380 7.174}
{0 CHEMBL2165040,1 1.52,2 8.2,3 2.156,4 4.646,5 93.04,6 8.875,7 0.897,8 3.792,9 3.918,10 3.519,11 3.342,12 5.022,13 3.373,14 4.243,15 4.391,16 3.876,17 3.731,18 5.441,19 3.745,20 4.39,21 4.573,22 3.872,23 3.78,24 5.517,25 3.77,26 4.409,27 4.606,28 3.841,29 3.751,30 5.551,31 3.736,32 4.413,33 4.629,34 3.754,35 3.726,36 5.51,37 3.698,38 4.364,39 4.566,40 3.781,41 3.717,42 5.513,43 3.692,44 4.335,45 4.546,46 3.608,47 3.664,48 5.402,49 3.612,50 4.233,51 4.471,52 3.424,53 3.466,54 5.282,55 3.403,56 0.098,57 0.684,58 5.078,59 2.439,60 6.864,61 2.624,62 0.219,63 1.052,64 8.814,65 3.96,66 15.328,67 4.378,68 0.224,69 1.147,70 12.246,71 5.086,72 18.03,73 6.135,74 0.308,75 1.157,76 13.076,77 5.075,78 21.417,79 6.137,80 0.31,81 1.12,82 14.53,83 5.167,84 25.497,85 6.315,86 0.316,87 1.092,88 13.073,89 5.118,90 23.794,91 6.353,92 0.229,93 1.015,94 13.074,95 5.119,96 20.427,97 6.313,98 0.25,99 0.885,100 13.297,101 4.831,102 21.777,103 6.319,105 41,106 0.264,107 0.647,108 0.841,109 0.905,110 0.905,111 0.905,112 3.268,113 0.795,114 -3.87,115 -3.83,116 -3.64,119 45.9,142 5,143 2,144 1,145 2,146 2,147 1,148 1,152 1,160 1,161 1,168 1,172 4,174 1,175 4,178 3,180 5,183 4,186 2,187 4,192 3,195 1,198 1,199 7,202 3,203 1,204 4,207 2,211 1,212 3,215 1,217 1,220 3,223 2,224 5,227 3,228 1,229 2,232 4,237 4,242 1,245 2,249 1,250 5,253 1,255 3,258 1,262 1,263 2,266 1,268 1,275 856,276 17.706,277 17.706,278 17.706,279 17.706,280 17.706,281 14.704,282 9.487,283 10.513,284 18.14,285 14.368,286 14.368,287 14.368,288 14.368,289 14.368,290 9.962,291 17.5,292 4.956,293 15.06,294 3.689,295 1.484,296 0.368,300 3.987,303 1,304 1,305 1,306 469,307 2.236,310 90.43,311 178.73,314 167.759,318 1.248,319 16.776,320 1,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54,331 205,332 4.612,333 3.233,334 6.8,335 4.163,336 3.198,337 4.529,338 0.4,339 11.229,340 3.086,341 4.51,342 3.078,343 6.52,344 4.021,345 3.045,346 4.457,348 10.253,349 2.973,350 4.142,351 2.751,352 6.112,353 3.66,354 2.71,355 3.808,357 8.862,358 2.57,359 3.512,360 2.214,361 5.305,362 3.079,363 2.129,364 2.895,366 6.517,367 2.022,368 3.339,369 1.906,370 5.05,371 2.823,372 1.882,373 2.716,375 5.637,376 1.766,377 3.048,378 1.548,379 4.314,380 2.536,381 1.548,382 2.322,384 3.826,385 1.528,386 3.048,387 1.548,388 4.103,389 2.451,390 1.548,391 2.321,393 3.655,394 1.398,395 2.876,396 1.471,397 3.923,398 2.405,399 1.427,400 2.04,402 3.33,403 1.393,404 2.686,405 1.211,406 3.61,407 2.15,408 1.208,409 1.773,411 2.894,412 1.135,413 2.5,414 1,415 3.412,416 1.97,417 1,418 1.5,420 2.234,421 0.968,422 2.5,423 1,424 3.402,425 1.916,426 1,427 1.5,428 2.23,429 0.915,430 2.1,431 0.734,432 3.244,433 1.627,434 0.67,435 0.937,436 1.689,437 0.64,438 1.972,439 0.5,440 3.132,441 1.412,442 0.494,443 0.724,445 1.243,446 0.453,447 1.377,448 0.12,449 2.773,450 0.974,451 0.029,452 0.039,454 0.074,455 0.028,456 1.007,457 -0.357,458 2.47,459 0.547,460 -0.401,461 -0.544,463 -0.993,464 -0.379,465 11.7,466 0.468,467 0.445,468 0.018,469 40.5,470 1.62,471 22.5,472 0.9,473 18,474 0.72,475 14.331,476 0.573,477 24.3,478 0.657,479 27.162,480 1.086,481 8.084,482 0.323,483 4.315,484 0.173,487 0.342,493 0.988,494 1.234,495 0.647,496 0.882,497 0.824,498 0.736,499 0.938,500 1.043,501 0.817,502 0.913,503 0.985,504 0.856,505 0.945,506 1.198,507 0.896,508 1.087,509 0.829,510 1.004,511 0.948,512 1.018,513 0.984,514 1.03,515 0.881,516 1.018,517 1.152,518 0.95,519 1.045,520 0.916,521 1.142,522 0.949,523 0.8,524 0.841,525 0.931,526 0.939,527 0.877,528 0.957,529 1.074,530 1.062,531 1.136,532 1.117,533 1.119,534 1.135,535 0.929,536 1.002,537 1.073,538 1.102,539 1.002,540 1.114,541 3,542 0.009,543 2.889,544 1.375,545 0.959,546 0.462,547 0.388,548 0.23,549 0.133,550 0.081,551 7381,552 20874,553 2.277,554 32.4,556 5,558 4,559 3,564 1.685,565 2.239,566 3.073,567 1.045,568 1,569 1,571 1,573 56.243,574 1.52,575 3.726,576 4.842,577 5.209,578 5.209,579 5.209,580 2.428,581 4.564,582 4.623,583 3.231,584 969.33,585 8.016,586 11446.2,587 1,588 1,590 1,591 192.75,592 0.904,593 4.616,594 0.103,595 0.001,596 0.07,597 0.034,598 0.025,599 0.013,600 0.011,601 0.008,602 0.006,603 0.004,604 0.276,605 0.5,606 0.88,608 118.079,609 -0.111,610 -0.132,611 0.037,612 -0.002,613 -0.083,614 0.037,615 -0.007,616 0.04,617 -0.067,618 -0.023,619 -0.13,620 -0.05,621 -0.041,622 -0.199,623 -0.014,624 -0.133,625 0.043,626 -0.082,627 0.044,628 -0.013,629 -0.065,630 -0.089,631 0.048,632 -0.097,633 -0.163,634 0.023,635 -0.063,636 0.056,637 -0.128,638 0.026,639 0.154,640 0.147,641 0.011,642 0.029,643 0.098,644 -0.001,645 -0.202,646 -0.12,647 -0.163,648 -0.11,649 -0.195,650 -0.125,651 0.008,652 -0.097,653 0.004,654 -0.072,655 0.014,656 -0.043,657 0.975,658 1.493,659 0.96,660 16.611,661 1.016,662 1.13,663 2.644,664 6.992,665 0.718,666 3.401,667 3.738,668 4.094,669 4.419,670 4.605,671 4.691,672 4.844,673 4.99,674 4.984,675 5.081,676 5.384,677 0.709,678 328.37,679 3.401,680 4.949,681 5.832,682 6.727,683 7.623,684 8.524,685 9.423,686 10.325,687 11.225,688 12.127,689 21.6,697 3,699 5,703 4,704 9,705 5,706 2,709 4,711 26,724 1,731 37,733 26,734 1,735 29,737 41,738 17,739 17,740 3,741 3,746 5,747 7,761 17,777 1,778 1,781 12,782 6,783 3,784 8,787 1,790 8,794 0.6,803 1,805 1,806 1,811 2,812 3,815 2,840 3,848 25,855 1,877 11.167,878 6.75,879 5.417,880 2.069,881 5.399,882 1.687,883 1.106,884 3.184,885 13.252,886 3.761,887 4.454,888 5.165,889 5.842,890 6.355,891 6.712,892 7.18,893 7.649,894 7.843,895 8.272,896 1,897 40,898 9.129,900 3.958,901 7.653,902 17.345,904 14.393,905 2.153,906 53.833,910 105.94,911 102.317,912 135.264,917 102.317,918 105.94,919 135.264,922 47.381,923 141.223,924 91.589,925 4.472,926 58.856,928 105.94,929 237.581,933 105.94,937 93.408,938 60.369,939 83.805,941 105.94,942 135.264,943 102.317,946 105.94,947 19.604,948 82.713,949 51.459,950 83.805,951 105.94,952 135.264,953 102.317,955 0.578,956 0.357,957 0.212,958 0.107,959 23,960 8,961 0.073,962 3,963 2,964 1.167,965 3.771,966 225.87,967 0.167,968 24,969 114.096,974 14.079,975 5.653,976 2.334,977 3.35,978 101.816,979 16.414,980 21.529,981 5.972,984 3.182,986 51.459,987 343.521,988 42,999 37.582,1000 41.817,1001 0.292,1002 0.715,1003 0.929,1004 1,1005 1,1006 1,1007 4.973,1008 1.427,1009 5.802,1010 3.655,1011 4.419,1012 5.142,1013 0.278,1014 6.648,1015 4.331,1016 6.202,1017 1.208,1018 7.371,1019 3.33,1020 3.892,1021 4.913,1023 7.609,1024 3.791,1025 7.523,1026 1,1027 9.047,1028 2.894,1029 6.028,1030 7.475,1031 0.05,1032 10.768,1033 5.87,1034 8.89,1035 1,1036 10.791,1037 2.234,1038 6.431,1039 8.191,1041 12.606,1042 6.259,1043 10.293,1044 0.67,1045 12.578,1046 2.23,1047 7.957,1048 10.123,1049 0.008,1050 15.251,1051 7.739,1052 11.724,1053 0.494,1054 14.394,1055 1.689,1056 8.775,1057 11.267,1059 17.414,1060 8.538,1061 13.175,1062 0.029,1063 16.23,1064 1.243,1065 10.061,1066 12.946,1067 0.001,1068 19.894,1069 9.786,1070 3.198,1071 -0.401,1072 18.08,1073 0.074,1074 11.062,1075 14.286,1077 22.187,1078 10.762,1079 3.045,1080 11.229,1081 19.94,1082 -0.993,1083 12.255,1084 15.858,1086 24.61,1087 11.921,1088 2.71,1089 10.253,1090 21.807,1091 4.529,1092 13.334,1093 17.285,1095 26.959,1096 12.972,1097 2.129,1098 8.862,1099 23.681,1100 4.457,1101 14.492,1102 18.814,1104 29.363,1105 14.099,1106 1.882,1107 6.517,1108 25.559,1109 3.808,1110 15.606,1111 20.28,1113 31.738,1114 15.182,1115 1.548,1116 5.637,1117 27.441,1118 2.895,1119 16.752,1120 21.791,1122 34.137,1123 16.297,1124 1.548,1125 3.826,1126 29.326,1127 2.716,1128 17.882,1129 23.276,1131 36.525,1132 17.395,1133 6667,1134 11359,1135 20.572,1136 26.568,1137 44.035,1138 43.855,1139 44.336,1140 43.728,1141 43.776,1142 63.126,1143 0.8,1144 127.345,1145 41.749,1146 5.405,1147 5.233,1148 6.482,1149 5.242,1150 5.198,1151 7.529,1152 0.8,1153 18.649,1154 5.086,1156 1.518,1157 1.512,1158 1.529,1159 1.508,1160 1.51,1161 2.177,1162 0.028,1163 4.391,1164 1.44,1165 4.127,1166 4.173,1167 4.098,1168 4.005,1169 5.198,1170 4.021,1171 4.059,1172 4.108,1173 4.031,1174 3.911,1175 5.095,1176 3.936,1177 3.802,1178 3.853,1179 3.755,1180 3.653,1181 4.863,1182 3.673,1183 3.362,1184 3.438,1185 3.276,1186 3.164,1187 4.551,1188 3.181,1189 3.275,1190 3.359,1191 3.203,1192 3.025,1193 4.414,1194 3.057,1195 3.098,1196 3.169,1197 2.996,1198 2.927,1199 4.014,1200 2.94,1201 2.888,1202 2.949,1203 2.824,1204 2.731,1205 3.994,1206 2.743,1207 2.713,1208 2.792,1209 2.606,1210 2.512,1211 3.715,1212 2.53,1213 0.159,1214 0.111,1215 0.234,1216 0.144,1217 0.11,1218 4.612,1219 0.156,1220 3.233,1221 0.014,1222 6.8,1223 0.387,1224 4.163,1225 0.106,1226 3.198,1227 4.529,1228 0.4,1229 11.229,1230 3.086,1231 1.961,1232 1.933,1233 2.033,1234 2.078,1235 1.164,1236 2.063,1237 1.879,1238 1.85,1239 1.948,1240 1.994,1241 1.044,1242 1.982,1243 1.647,1244 1.598,1245 1.733,1246 1.842,1247 0.738,1248 1.818,1249 1.337,1250 1.252,1251 1.493,1252 1.645,1253 0.42,1254 1.602,1255 1.316,1256 1.236,1257 1.462,1258 1.628,1259 0.403,1260 1.591,1261 1.027,1262 0.973,1263 1.226,1264 1.218,1265 0.301,1266 1.214,1267 0.943,1268 0.866,1269 1.153,1270 1.186,1271 0.15,1272 1.205,1273 0.816,1274 0.741,1275 1.024,1276 1.073,1277 0.01,1278 1.058,1279 4.078,1281 5.407,1282 3.045,1283 6.944,1284 5.283,1285 8.579,1286 7.298,1287 10.264,1296 3.388,1305 26.225,1306 56.243,1307 137.856,1308 179.14,1309 192.75,1310 192.75,1311 192.75,1312 25.079,1313 7.854,1314 108.06,1315 108.06,1316 28,1317 12.648,1318 4.755,1319 3.807,1320 31.906,1321 80,1322 63,1323 0.193,1324 159.026,1325 245.32,1326 379.784,1327 30519,1329 16.64,1330 0.666,1331 0.517,1332 16.64,1333 12.932,1334 12.399,1335 0.428,1336 0.265,1337 7.555,1338 11.867,1339 7.458,1340 6.171,1341 12.399,1342 7.686,1343 10.94,1344 0.267,1345 0.134,1346 10.94,1347 5.483,1348 9.977,1349 0.169,1350 0.068,1351 9.977,1352 4.018,1353 9.024,1354 0.11,1355 0.035,1356 9.024,1357 2.862,1358 7.052,1359 0.071,1360 0.018,1361 7.052,1362 1.798,1363 0.293,1364 78.027,1365 0.22,1366 23.744,1367 0.557,1368 140,1369 407.224,1370 153.988,1371 404.387,1372 575.84,1373 382,1374 170,1375 450.184,1376 185.487,1377 456.642,1378 671.04,1379 431,1380 5}
{0 CHEMBL2165041,1 1.648,2 9.542,3 1.884,4 3.549,5 87.644,6 8.631,7 0.815,8 3.771,9 3.89,10 3.469,11 3.27,12 5.009,13 3.308,14 4.227,15 4.385,16 3.798,17 3.615,18 5.443,19 3.639,20 4.325,21 4.501,22 3.812,23 3.676,24 5.498,25 3.681,26 4.351,27 4.544,28 3.736,29 3.667,30 5.491,31 3.654,32 4.37,33 4.579,34 3.712,35 3.683,36 5.489,37 3.646,38 4.36,39 4.576,40 3.666,41 3.622,42 5.476,43 3.587,44 4.264,45 4.498,46 3.436,47 3.476,48 5.34,49 3.423,50 4.075,51 4.314,52 3.263,53 3.25,54 5.129,55 3.202,56 0.09,57 0.642,58 5.512,59 2.563,60 6.254,61 2.914,62 0.344,63 0.956,64 10.892,65 4.057,66 22.057,67 4.68,68 0.277,69 1.045,70 12.193,71 4.655,72 20.114,73 5.724,74 0.34,75 1.044,76 13.353,77 4.702,78 24.199,79 5.775,80 0.326,81 1.05,82 14.201,83 5.282,84 24.457,85 7.017,86 0.326,87 1.019,88 14.57,89 5.221,90 24.306,91 6.897,92 0.347,93 0.877,94 14.07,95 4.474,96 26.417,97 5.951,98 0.227,99 0.692,100 12.335,101 4.221,102 19.761,103 5.768,104 3,105 37,106 0.291,107 0.669,108 0.848,109 0.896,110 0.896,111 0.896,112 3.229,113 0.802,114 -3.97,115 -3.92,116 -3.72,119 43.2,124 1,142 4,143 1,144 1,145 2,146 2,147 2,148 1,160 1,161 1,172 3,174 2,175 5,178 3,180 2,183 1,186 2,187 5,190 1,192 2,198 1,199 4,202 2,204 2,207 1,211 2,212 4,215 2,217 1,220 2,223 1,224 3,227 2,228 1,229 1,232 2,236 2,237 4,245 1,249 1,250 3,255 1,262 2,263 2,266 1,268 1,275 812,276 16.87,277 16.87,278 16.87,279 16.87,280 16.87,281 14.3,282 13.8,283 10.057,284 17.482,285 13.297,286 13.297,287 13.297,288 13.297,289 13.297,290 9.494,291 22.151,292 4.687,293 14.197,294 3.561,295 1.415,296 0.399,297 0.129,298 0.129,299 0.129,300 3.932,303 1,304 1,305 1,306 508,307 2.345,310 45.197,311 198.784,314 83.882,318 1.458,319 18.478,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52.5,331 229,332 4.607,333 3.215,334 6.797,335 4.154,336 3.19,337 4.527,338 0.86,339 11.219,340 3.076,341 4.183,342 2.912,343 6.13,344 3.724,345 2.78,346 3.838,347 0.4,348 8.949,349 2.624,350 3.996,351 2.776,352 5.504,353 3.527,354 2.585,355 3.604,357 7.36,358 2.439,359 3.5,360 2.404,361 5.233,362 3.105,363 2.183,364 2.823,366 6.469,367 2.002,368 3.333,369 1.942,370 4.987,371 2.829,372 1.897,373 2.677,375 5.62,376 1.765,377 3.048,378 1.548,379 4.282,380 2.451,381 1.548,382 2.322,384 3.781,385 1.398,386 2.866,387 1.485,388 3.929,389 2.397,390 1.421,391 2.026,393 3.325,394 1.383,395 2.685,396 1.213,397 3.608,398 2.149,399 1.207,400 1.772,402 2.893,403 1.134,404 2.5,405 1.108,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 2.5,414 1,415 3.402,416 1.916,417 1,418 1.5,420 2.23,421 0.915,422 1.983,423 1,424 3.135,425 1.477,426 0.603,427 0.756,428 1.294,429 0.522,430 1.752,431 0.525,432 2.989,433 1.396,434 0.495,435 0.646,436 0.988,437 0.446,438 1.334,439 0.284,440 2.613,441 0.983,442 0.068,443 0.084,445 0.145,446 0.062,447 0.972,448 -0.214,449 2.445,450 0.534,451 -0.391,452 -0.507,454 -0.855,455 -0.359,456 0.74,457 -0.535,458 2.196,459 0.269,460 -0.662,461 -0.888,463 -1.542,464 -0.612,465 11.133,466 0.464,467 0.41,468 0.017,469 38.5,470 1.604,471 21,472 0.875,473 17.5,474 0.729,475 13.389,476 0.558,477 24.267,478 0.656,479 25.925,480 1.08,481 7.798,482 0.325,483 4.049,484 0.169,485 0.045,487 0.314,493 1,494 1.478,495 0.662,496 1.084,497 0.856,498 0.851,499 1.122,500 0.957,501 0.826,502 0.788,503 1.036,504 0.764,505 0.963,506 1.194,507 0.885,508 1.048,509 0.863,510 0.967,511 1.091,512 1.02,513 1.051,514 0.951,515 1.102,516 0.98,517 0.655,518 1.012,519 0.936,520 1.022,521 0.824,522 1.027,523 0.799,524 1.039,525 0.962,526 1.054,527 0.865,528 1.043,529 0.996,530 0.882,531 1.148,532 0.944,533 1.104,534 1.034,535 0.897,536 1.034,537 0.898,538 1.081,539 0.841,540 1.007,541 3.5,542 0.075,543 2.444,544 1.188,545 1.048,546 0.493,547 0.405,548 0.241,549 0.144,550 0.113,551 6448,552 19414,553 2.187,554 35.1,556 7,558 4,559 2,564 1.671,565 2.118,566 3.217,567 0.378,568 1,569 1,571 1,573 60.993,574 1.648,575 3.794,576 4.811,577 5.081,578 5.081,579 5.081,580 2.685,581 3.97,582 4.556,583 3.359,584 927.177,585 7.876,586 10663.9,587 1,588 1,590 1,591 192.75,592 1.099,593 4.546,594 0.13,595 0.008,596 0.066,597 0.032,598 0.031,599 0.015,600 0.013,601 0.01,602 0.007,603 0.008,604 0.32,605 0.33,606 1,607 0.573,608 112.943,609 -0.147,610 -0.351,611 0.05,612 -0.145,613 -0.106,614 -0.028,615 -0.016,616 0.125,617 0.01,618 0.135,619 -0.061,620 0.081,621 -0.059,622 -0.14,623 -0.026,624 -0.108,625 0.027,626 -0.072,627 -0.162,628 0.02,629 -0.154,630 -0.014,631 -0.177,632 -0.071,633 0.095,634 -0.009,635 -0.012,636 -0.045,637 0.044,638 -0.051,639 0.038,640 -0.057,641 -0.002,642 -0.082,643 0.041,644 -0.062,645 -0.102,646 0.085,647 -0.142,648 0.019,649 -0.142,650 -0.042,651 0.029,652 -0.148,653 0.168,654 -0.057,655 0.161,656 0.062,657 1.115,658 1.569,659 0.875,660 17.75,661 1.019,662 1.134,663 2.741,664 7.516,665 0.697,666 3.332,667 3.638,668 3.951,669 4.234,670 4.454,671 4.5,672 4.625,673 4.745,674 4.745,675 4.804,676 5.622,677 0.688,678 319.36,679 3.332,680 4.86,681 5.72,682 6.597,683 7.475,684 8.359,685 9.243,686 10.131,687 11.018,688 11.908,689 18.9,697 2,699 5,703 2,704 8,705 5,706 1,709 5,711 22,724 1,729 1,731 37,733 22,735 27,737 40,738 16,739 15,746 4,747 5,761 15,762 1,777 1,778 1,781 13,782 7,783 2,784 8,787 1,790 7,794 0.75,795 1,805 2,806 1,811 1,812 3,815 1,840 3,844 1,848 24,855 1,856 1,870 2.7,875 1,877 11.333,878 7.083,879 5.361,880 1.979,881 4.43,882 1.599,883 1.032,884 3.771,885 11.822,886 3.664,887 4.307,888 4.964,889 5.601,890 6.151,891 6.435,892 6.888,893 7.341,894 7.584,895 7.974,896 1,897 37,898 8.747,900 3.666,901 7.715,902 16.472,904 13.077,905 2.215,906 53.167,910 129.482,911 103.821,912 118.724,914 11,917 103.821,918 140.482,919 118.724,920 10.883,922 37.905,923 141.346,924 83.353,925 7.143,926 82.398,928 129.482,929 222.545,930 11,933 129.482,934 11,937 76.744,938 61.873,939 83.928,941 129.482,942 129.724,943 103.821,946 129.482,947 19.701,948 84.12,949 34.796,950 94.928,951 129.482,952 129.724,953 103.821,955 0.57,956 0.347,957 0.195,958 0.105,959 19,960 7,961 0.1,962 4,963 1,964 1.095,965 3.672,966 201.697,967 0.095,968 21,969 110.039,974 14.547,975 6.222,976 2.807,977 1.377,978 112.938,979 13.931,980 21.434,981 2.985,984 3.539,986 34.796,987 363.027,988 38,999 37.691,1000 41.943,1001 0.316,1002 0.728,1003 0.923,1004 0.975,1005 0.975,1006 0.975,1007 4.864,1008 1.207,1009 5.68,1010 3.325,1011 4.317,1012 4.994,1013 1.029,1014 6.488,1015 4.198,1016 6.074,1017 1,1018 7.228,1019 2.893,1020 3.761,1021 4.691,1023 7.391,1024 3.617,1025 7.378,1026 1,1027 8.88,1028 2.275,1029 5.894,1030 7.259,1031 0.763,1032 10.52,1033 5.679,1034 8.725,1035 0.603,1036 10.598,1037 2.23,1038 6.236,1039 7.866,1041 12.312,1042 5.998,1043 10.107,1044 0.495,1045 12.359,1046 1.294,1047 7.769,1048 9.824,1049 0.597,1050 14.95,1051 7.476,1052 11.515,1053 0.068,1054 14.152,1055 0.988,1056 8.531,1057 10.872,1059 17.098,1060 8.214,1061 12.942,1062 -0.391,1063 15.966,1064 0.145,1065 9.82,1066 12.567,1067 0.47,1068 19.581,1069 9.458,1070 3.19,1071 -0.662,1072 17.799,1073 -0.855,1074 10.782,1075 13.84,1077 21.878,1078 10.393,1079 2.78,1080 11.219,1081 19.644,1082 -1.542,1083 11.973,1084 15.418,1085 0.367,1086 24.312,1087 11.546,1088 2.585,1089 8.949,1090 21.5,1091 4.527,1092 13.03,1093 16.803,1095 26.673,1096 12.574,1097 2.183,1098 7.36,1099 23.365,1100 3.838,1101 14.185,1102 18.332,1103 0.283,1104 29.091,1105 13.694,1106 1.897,1107 6.469,1108 25.237,1109 3.604,1110 15.287,1111 19.774,1113 31.48,1114 14.765,1115 1.548,1116 5.62,1117 27.116,1118 2.823,1119 16.432,1120 21.283,1121 0.217,1122 33.894,1123 15.876,1124 1.421,1125 3.781,1126 28.999,1127 2.677,1128 17.557,1129 22.755,1131 36.297,1132 16.97,1133 6071,1134 10669,1135 18.781,1136 25.779,1137 40.129,1138 40.394,1139 41.044,1140 39.869,1141 39.953,1142 56.147,1143 2.52,1144 113.096,1145 37.445,1146 5.393,1147 5.215,1148 6.479,1149 5.232,1150 5.19,1151 7.527,1152 1.72,1153 18.627,1154 5.02,1155 6.582,1156 1.486,1157 1.496,1158 1.52,1159 1.477,1160 1.48,1161 2.08,1162 0.093,1163 4.189,1164 1.387,1165 4.095,1166 4.146,1167 4.073,1168 3.942,1169 5.196,1170 3.968,1171 3.899,1172 3.945,1173 3.856,1174 3.749,1175 4.996,1176 3.77,1177 3.766,1178 3.808,1179 3.716,1180 3.633,1181 4.849,1182 3.648,1183 3.275,1184 3.36,1185 3.204,1186 3.027,1187 4.551,1188 3.058,1189 3.274,1190 3.336,1191 3.129,1192 2.994,1193 4.409,1194 3.017,1195 2.992,1196 3.077,1197 2.857,1198 2.799,1199 4.014,1200 2.803,1201 2.87,1202 2.938,1203 2.777,1204 2.687,1205 3.948,1206 2.693,1207 2.761,1208 2.848,1209 2.623,1210 2.546,1211 3.789,1212 2.561,1213 0.171,1214 0.119,1215 0.252,1216 0.154,1217 0.118,1218 4.607,1219 0.168,1220 3.215,1221 0.032,1222 6.797,1223 0.416,1224 4.154,1225 0.114,1226 3.19,1227 4.527,1228 0.86,1229 11.219,1230 3.076,1231 1.926,1232 1.893,1233 1.991,1234 2.067,1235 1.072,1236 2.046,1237 1.796,1238 1.762,1239 1.887,1240 1.957,1241 0.928,1242 1.935,1243 1.642,1244 1.594,1245 1.731,1246 1.835,1247 0.736,1248 1.812,1249 1.336,1250 1.252,1251 1.57,1252 1.632,1253 0.575,1254 1.599,1255 1.207,1256 1.138,1257 1.493,1258 1.521,1259 0.406,1260 1.535,1261 0.957,1262 0.883,1263 1.18,1264 1.202,1265 0.233,1266 1.204,1267 0.817,1268 0.742,1269 1.04,1270 1.073,1271 0.078,1272 1.058,1273 0.774,1274 0.714,1275 0.997,1276 0.985,1278 1.004,1279 4.007,1281 5.313,1282 2.398,1283 6.83,1284 4.595,1285 8.441,1286 6.605,1287 10.102,1289 1.58,1296 3.252,1297 5.069,1305 25.445,1306 60.993,1307 140.385,1308 177.995,1309 187.995,1310 187.995,1311 187.995,1312 24.857,1313 7.392,1314 101.5,1315 101.5,1316 23,1317 12.438,1318 4.524,1319 3.585,1320 33.769,1321 79,1322 98,1323 0.207,1324 156.957,1325 251.71,1326 374.734,1327 16714,1329 16.355,1330 0.681,1331 0.532,1332 16.355,1333 12.763,1334 11.848,1335 0.439,1336 0.267,1337 7.058,1338 11.233,1339 6.923,1340 5.771,1341 11.848,1342 7.215,1343 10.189,1344 0.275,1345 0.133,1346 10.189,1347 4.936,1348 9.078,1349 0.178,1350 0.068,1351 9.078,1352 3.488,1353 7.745,1354 0.114,1355 0.035,1356 7.745,1357 2.369,1358 6.272,1359 0.074,1360 0.018,1361 6.272,1362 1.517,1363 0.319,1364 75.334,1365 0.231,1366 23.196,1367 0.586,1368 128,1369 412.627,1370 143.589,1371 400.099,1372 559.81,1373 378,1374 152,1375 425.095,1376 168.257,1377 431.13,1378 629.3,1379 404,1380 5.081}
{0 CHEMBL2165042,1 1.513,2 8.269,3 2.513,4 6.314,5 94.544,6 8.56,7 0.867,8 3.855,9 3.985,10 3.554,11 3.407,12 5.06,13 3.426,14 4.318,15 4.476,16 3.921,17 3.791,18 5.491,19 3.798,20 4.466,21 4.654,22 3.917,23 3.847,24 5.573,25 3.835,26 4.492,27 4.688,28 3.915,29 3.844,30 5.619,31 3.823,32 4.513,33 4.719,34 3.853,35 3.858,36 5.582,37 3.823,38 4.54,39 4.747,40 3.882,41 3.867,42 5.669,43 3.823,44 4.54,45 4.782,46 3.681,47 3.795,48 5.544,49 3.723,50 4.37,51 4.615,52 3.496,53 3.607,54 5.362,55 3.523,56 0.107,57 0.723,58 6.139,59 2.8,60 7.72,61 3.277,62 0.184,63 1.113,64 11.051,65 4.639,66 15.603,67 5.685,68 0.231,69 1.229,70 14.374,71 5.316,72 19.953,73 6.639,74 0.322,75 1.255,76 15.011,77 5.62,78 23.691,79 7.115,80 0.249,81 1.24,82 16.096,83 5.843,84 22.324,85 7.444,86 0.367,87 1.285,88 16.332,89 6.279,90 28.033,91 8.095,92 0.296,93 1.187,94 18.977,95 6.548,96 28.922,97 8.774,98 0.25,99 0.988,100 16.255,101 5.906,102 23.88,103 8.107,104 2,105 43,106 0.259,107 0.664,108 0.825,109 0.892,110 0.892,111 0.892,112 3.306,113 0.812,114 -4.11,115 -4.06,116 -3.84,119 45,120 1,142 5,143 3,144 1,145 2,146 1,147 1,149 2,151 1,152 1,168 2,172 4,174 2,175 9,178 1,180 6,183 5,187 3,190 1,192 3,195 2,198 2,199 9,202 3,203 1,204 5,207 5,212 3,217 2,220 4,223 3,224 7,227 4,228 1,229 3,232 7,237 2,242 1,245 3,249 1,250 7,253 1,255 4,258 4,263 2,268 1,271 1,275 942,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.127,282 11.912,283 10.703,284 18.527,285 14.868,286 14.868,287 14.868,288 14.868,289 14.868,290 10.381,291 18.971,292 5.079,293 15.477,294 3.809,295 1.447,296 0.509,297 0.119,298 0.119,299 0.119,300 4.021,303 1,304 1,305 1,306 488,307 2.345,310 95.292,311 186.54,314 176.057,318 1.269,319 17.134,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56,331 215,332 4.635,333 3.255,334 6.814,335 4.188,336 3.219,337 4.561,338 0.4,339 11.295,340 3.122,341 4.512,342 3.092,343 6.521,344 4.027,345 3.049,346 4.458,348 10.257,349 2.98,350 4.15,351 2.777,352 6.123,353 3.683,354 2.725,355 3.812,357 8.917,358 2.607,359 3.569,360 2.341,361 5.312,362 3.104,363 2.165,364 2.993,366 6.542,367 2.033,368 3.501,369 2.214,370 5.061,371 3.074,372 2.122,373 2.881,375 5.952,376 2.014,377 3.325,378 1.898,379 5.015,380 2.818,381 1.872,382 2.691,384 5.674,385 1.766,386 3.048,387 1.548,388 4.272,389 2.536,390 1.548,391 2.321,393 3.74,394 1.528,395 2.877,396 1.471,397 4.076,398 2.405,399 1.427,400 2.041,402 3.508,403 1.393,404 2.708,405 1.244,406 3.66,407 2.182,408 1.234,409 1.804,411 2.988,412 1.167,413 2.58,414 1.106,415 3.494,416 2.042,417 1.09,418 1.619,420 2.441,421 1.035,422 2.5,423 1,424 3.412,425 1.97,426 1,427 1.5,428 2.234,429 0.968,430 2.112,431 0.74,432 3.39,433 1.636,434 0.679,435 0.952,436 1.718,437 0.648,438 2.056,439 0.629,440 3.243,441 1.549,442 0.592,443 0.856,445 1.574,446 0.565,447 1.378,448 0.129,449 2.804,450 0.98,451 0.033,452 0.043,454 0.084,455 0.031,456 1.04,457 -0.202,458 2.69,459 0.572,460 -0.368,461 -0.5,463 -0.968,464 -0.345,465 12.2,466 0.469,467 0.551,468 0.021,469 40.5,470 1.558,471 22.5,472 0.865,473 18,474 0.692,475 16.718,476 0.643,477 25.6,478 0.64,479 27.985,480 1.076,481 8.068,482 0.31,483 4.724,484 0.182,485 0.041,487 0.369,493 0.875,494 1.124,495 0.669,496 0.873,497 0.835,498 0.761,499 0.882,500 1.155,501 0.734,502 0.946,503 0.83,504 0.84,505 1.157,506 1.175,507 0.944,508 0.99,509 1.071,510 0.939,511 0.932,512 0.983,513 0.974,514 1.003,515 0.89,516 0.998,517 1.183,518 1.101,519 1.043,520 1.009,521 1.112,522 1.001,523 0.786,524 0.869,525 1.042,526 1.059,527 0.863,528 1.091,529 1.109,530 0.938,531 1.092,532 0.977,533 1.137,534 1.021,535 0.819,536 0.942,537 1.015,538 1.069,539 0.908,540 1.077,541 4,542 0.042,543 2.889,544 1.563,545 1.31,546 0.708,547 0.41,548 0.289,549 0.182,550 0.13,551 8002,552 22018,553 2.241,554 35,556 5,557 1,558 2,559 3,560 3,564 1.696,565 2.167,566 3.071,567 1.012,568 1,569 1,571 1,573 60.516,574 1.513,575 3.875,576 4.813,577 5.203,578 5.203,579 5.203,580 2.411,581 4.287,582 4.679,583 3.248,584 1055.49,585 8.134,586 12818.4,587 1,588 1,590 1,591 212.877,592 1.142,593 4.66,594 0.133,595 0.003,596 0.067,597 0.037,598 0.032,599 0.018,600 0.011,601 0.009,602 0.007,603 0.006,604 0.324,605 0.5,606 0.88,607 0.362,608 124.342,609 0.012,611 0.048,612 0.034,613 -0.077,614 0.045,615 0.035,616 -0.079,617 0.063,618 -0.019,619 0.041,620 0.018,621 -0.183,622 -0.141,623 -0.063,624 -0.053,625 -0.138,626 -0.039,627 0.08,628 0.052,629 -0.075,630 -0.07,631 0.049,632 -0.095,633 -0.242,634 -0.106,635 -0.116,636 -0.042,637 -0.17,638 -0.053,639 0.188,640 0.137,641 -0.114,642 -0.101,643 0.094,644 -0.152,645 -0.19,646 -0.017,647 -0.06,648 0.039,649 -0.157,650 0.019,651 0.053,652 -0.047,653 0.038,654 -0.028,655 0.05,656 -0.004,657 1.028,658 1.629,659 0.923,660 17.521,661 1.012,662 1.131,663 2.882,664 8.305,665 0.708,666 3.434,667 3.784,668 4.127,669 4.466,670 4.673,671 4.779,672 4.913,673 5.056,674 5.056,675 5.147,676 5.477,677 0.694,678 342.4,679 3.434,680 4.99,681 5.872,682 6.774,683 7.671,684 8.578,685 9.479,686 10.386,687 11.289,688 12.197,689 20,697 3,699 5,703 4,704 8,705 5,706 2,709 5,711 26,724 1,731 40,733 26,734 1,735 30,737 44,738 18,739 17,740 3,741 3,746 5,747 7,752 1,761 17,762 1,777 1,778 1,781 14,782 6,783 3,784 8,790 8,794 0.6,803 2,805 1,806 1,811 2,812 3,815 2,840 3,844 1,848 26,855 1,877 12,878 7.667,879 5.583,880 2.29,881 5.405,882 1.681,883 1.089,884 3.403,885 13.346,886 3.784,887 4.489,888 5.19,889 5.877,890 6.409,891 6.787,892 7.239,893 7.702,894 7.906,895 8.319,896 1,897 42,898 9.507,900 4.11,901 7.635,902 18.119,904 15.033,905 2.135,906 55.5,909 1,910 129.482,911 105.709,912 135.019,917 105.709,918 129.482,919 135.019,920 8.825,922 56.429,923 107.225,924 87.32,925 16.243,926 94.169,928 129.482,929 240.728,933 133.525,937 81.014,938 71.989,939 83.683,941 129.482,942 135.019,943 105.709,946 129.482,947 22.36,948 83.349,949 51.337,950 83.683,951 129.482,952 135.019,953 105.709,955 0.583,956 0.354,957 0.211,958 0.111,959 24,960 9,961 0.068,962 3,963 2,964 1.167,965 3.807,966 239.47,967 0.167,968 24,969 122.211,974 14.995,975 5.9,976 2.536,977 3.45,978 101.693,979 15.17,980 21.817,981 5.836,984 3.958,986 51.337,987 370.21,988 43,999 40.465,1000 45.232,1001 0.284,1002 0.728,1003 0.904,1004 0.978,1005 0.978,1006 0.978,1007 5.007,1008 1.427,1009 5.855,1010 3.74,1011 4.466,1012 5.176,1013 0.278,1014 6.706,1015 4.389,1016 6.246,1017 1.234,1018 7.428,1019 3.508,1020 4.007,1021 5.007,1023 7.662,1024 3.908,1025 7.573,1026 1.09,1027 9.106,1028 2.988,1029 6.084,1030 7.515,1031 0.05,1032 10.818,1033 5.941,1034 8.943,1035 1,1036 10.847,1037 2.441,1038 6.509,1039 8.25,1041 12.637,1042 6.348,1043 10.348,1044 0.679,1045 12.629,1046 2.234,1047 8.011,1048 10.162,1049 0.008,1050 15.291,1051 7.813,1052 11.779,1053 0.592,1054 14.44,1055 1.718,1056 8.836,1057 11.313,1059 17.447,1060 8.619,1061 13.228,1062 0.033,1063 16.271,1064 1.574,1065 10.114,1066 12.985,1067 0.001,1068 19.934,1069 9.866,1070 3.219,1071 -0.368,1072 18.117,1073 0.084,1074 11.119,1075 14.328,1077 22.227,1078 10.849,1079 3.049,1080 11.295,1081 19.973,1082 -0.968,1083 12.311,1084 15.9,1086 24.656,1087 12.011,1088 2.725,1089 10.257,1090 21.838,1091 4.561,1092 13.394,1093 17.331,1095 27.009,1096 13.07,1097 2.165,1098 8.917,1099 23.71,1100 4.458,1101 14.554,1102 18.862,1104 29.419,1105 14.202,1106 2.122,1107 6.542,1108 25.587,1109 3.812,1110 15.673,1111 20.333,1113 31.799,1114 15.294,1115 1.872,1116 5.952,1117 27.468,1118 2.993,1119 16.823,1120 21.847,1122 34.204,1123 16.417,1124 1.548,1125 5.674,1126 29.353,1127 2.881,1128 17.958,1129 23.336,1131 36.598,1132 17.524,1133 7285,1134 12236,1135 20.978,1136 28.33,1137 45.879,1138 45.507,1139 46.25,1140 45.507,1141 45.509,1142 65.065,1143 0.8,1144 133.851,1145 43.714,1146 5.428,1147 5.255,1148 6.495,1149 5.265,1150 5.219,1151 7.561,1152 0.8,1153 18.73,1154 5.122,1155 6.411,1156 1.529,1157 1.517,1158 1.542,1159 1.517,1160 1.517,1161 2.169,1162 0.027,1163 4.462,1164 1.457,1165 4.131,1166 4.175,1167 4.102,1168 4.01,1169 5.194,1170 4.026,1171 4.062,1172 4.109,1173 4.034,1174 3.93,1175 5.095,1176 3.95,1177 3.799,1178 3.85,1179 3.753,1180 3.656,1181 4.87,1182 3.674,1183 3.429,1184 3.515,1185 3.329,1186 3.209,1187 4.578,1188 3.222,1189 3.362,1190 3.437,1191 3.275,1192 3.164,1193 4.414,1194 3.181,1195 3.102,1196 3.172,1197 2.998,1198 2.942,1199 3.994,1200 2.951,1201 2.982,1202 3.06,1203 2.888,1204 2.802,1205 3.987,1206 2.815,1207 2.717,1208 2.801,1209 2.606,1210 2.518,1211 3.704,1212 2.534,1213 0.154,1214 0.108,1215 0.227,1216 0.14,1217 0.107,1218 4.635,1219 0.152,1220 3.255,1221 0.013,1222 6.814,1223 0.376,1224 4.188,1225 0.104,1226 3.219,1227 4.561,1228 0.4,1229 11.295,1230 3.122,1231 1.966,1232 1.938,1233 2.036,1234 2.079,1235 1.167,1236 2.066,1237 1.892,1238 1.866,1239 1.963,1240 1.995,1241 1.08,1242 1.987,1243 1.669,1244 1.626,1245 1.787,1246 1.836,1247 0.82,1248 1.822,1249 1.362,1250 1.28,1251 1.582,1252 1.691,1253 0.66,1254 1.647,1255 1.316,1256 1.236,1257 1.462,1258 1.641,1259 0.418,1260 1.593,1261 1.164,1262 1.068,1263 1.384,1264 1.416,1265 0.305,1266 1.442,1267 1.027,1268 0.974,1269 1.226,1270 1.218,1271 0.259,1272 1.214,1273 0.947,1274 0.875,1275 1.152,1276 1.186,1277 0.155,1278 1.205,1279 4.111,1281 5.451,1282 3.045,1283 6.991,1284 5.283,1285 8.629,1286 7.298,1287 10.319,1289 1.854,1296 3.414,1305 27.752,1306 60.516,1307 155.003,1308 192.513,1309 208.122,1310 208.122,1311 208.122,1312 27.349,1313 7.941,1314 108.06,1315 108.06,1316 28,1317 12.714,1318 4.755,1319 3.807,1320 33.681,1321 85,1322 68,1323 0.192,1324 168.619,1325 262.62,1326 403.189,1327 33682,1329 17.51,1330 0.673,1331 0.533,1332 17.51,1333 13.855,1334 12.793,1335 0.426,1336 0.271,1337 7.994,1338 12.258,1339 7.831,1340 6.496,1341 12.793,1342 8.121,1343 11.585,1344 0.269,1345 0.137,1346 11.585,1347 5.903,1348 10.244,1349 0.168,1350 0.069,1351 10.244,1352 4.217,1353 9.342,1354 0.109,1355 0.035,1356 9.342,1357 3.049,1358 7.402,1359 0.07,1360 0.019,1361 7.402,1362 1.97,1363 0.293,1364 80.344,1365 0.218,1366 24.498,1367 0.558,1368 146,1369 415.224,1370 160.265,1371 413.116,1372 590.43,1373 390,1374 177,1375 466.621,1376 192.515,1377 471.993,1378 692.87,1379 446,1380 5.77}
{0 CHEMBL2165043,1 1.56,2 8.167,3 3.297,4 10.873,5 92.208,6 8.138,7 0.815,8 3.799,9 3.916,10 3.449,11 3.361,12 5,13 3.368,14 4.254,15 4.401,16 3.813,17 3.72,18 5.459,19 3.713,20 4.431,21 4.609,22 3.811,23 3.776,24 5.542,25 3.76,26 4.42,27 4.59,28 3.779,29 3.735,30 5.566,31 3.71,32 4.416,33 4.606,34 3.677,35 3.726,36 5.516,37 3.685,38 4.419,39 4.629,40 3.735,41 3.745,42 5.557,43 3.692,44 4.422,45 4.635,46 3.55,47 3.712,48 5.466,49 3.635,50 4.302,51 4.542,52 3.31,53 3.559,54 5.275,55 3.437,56 0.049,57 0.615,58 6.67,59 3.013,60 8.087,61 3.61,62 0.182,63 0.944,64 11.766,65 5.099,66 19.147,67 6.388,68 0.2,69 1.063,70 15.655,71 5.766,72 21.696,73 7.069,74 0.296,75 1.012,76 15.801,77 6.155,78 24.755,79 7.546,80 0.262,81 1.04,82 16.055,83 5.692,84 28.242,85 6.963,86 0.296,87 1.058,88 16.487,89 6.33,90 30.798,91 8.585,92 0.27,93 1.031,94 16.948,95 6.093,96 28.842,97 7.806,98 0.153,99 0.914,100 15.251,101 5.978,102 20.397,103 8.35,104 5,105 38,106 0.272,107 0.643,108 0.796,109 0.884,110 0.893,111 0.893,112 3.229,113 0.835,114 -3.93,115 -3.88,116 -3.68,119 46.2,120 1,142 7,143 2,144 1,145 1,146 2,147 1,150 1,151 1,152 1,163 1,164 1,165 1,172 5,174 2,175 9,177 2,178 2,180 3,183 6,187 5,192 1,195 4,198 2,199 9,202 1,204 4,207 5,209 3,212 3,217 1,220 5,222 1,223 2,224 6,226 2,227 3,229 2,232 8,234 1,237 2,242 1,245 5,250 3,253 1,255 4,258 4,260 2,263 2,268 2,271 2,273 2,275 790,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 12.058,283 9.754,284 16.847,285 13.38,286 13.38,287 13.38,288 13.38,289 13.38,290 9.487,291 14.028,292 4.65,293 14.052,294 3.725,295 1.601,296 0.728,297 0.224,298 0.173,299 0.173,300 3.929,303 1,304 1,305 1,306 432,307 2.236,310 45.907,311 194.831,314 85.626,318 1.264,319 17.6,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 196,332 4.529,333 3.301,334 6.574,335 4.069,336 3.11,337 4.462,338 0.86,339 10.468,340 2.986,341 4.396,342 3.031,343 6.464,344 3.961,345 2.988,346 4.094,348 10.06,349 2.907,350 3.973,351 2.734,352 5.547,353 3.5,354 2.57,355 3.562,357 7.447,358 2.392,359 3.488,360 2.317,361 5.215,362 3.041,363 2.109,364 2.866,366 6.328,367 1.956,368 3.232,369 2.085,370 4.883,371 2.819,372 1.879,373 2.512,375 5.309,376 1.76,377 3.229,378 1.906,379 4.618,380 2.756,381 1.818,382 2.481,384 4.963,385 1.701,386 3.048,387 1.548,388 4.135,389 2.544,390 1.548,391 2.321,393 3.681,394 1.542,395 2.875,396 1.517,397 3.943,398 2.393,399 1.427,400 2.037,402 3.25,403 1.372,404 2.55,405 1.068,406 3.595,407 2.011,408 1.058,409 1.575,411 2.697,412 1.005,413 2.5,414 1,415 3.412,416 1.971,417 1,418 1.5,420 2.234,421 0.969,422 2.094,423 0.808,424 3.244,425 1.598,426 0.662,427 0.927,428 1.678,429 0.616,430 1.381,431 0.229,432 2.802,433 0.97,434 0.044,435 0.058,436 0.113,437 0.041,438 1,439 -0.126,440 2.596,441 0.602,442 -0.347,443 -0.445,445 -0.891,446 -0.328,447 0.991,448 -0.249,449 2.382,450 0.546,451 -0.395,452 -0.52,454 -1.032,455 -0.37,456 0.798,457 -0.317,458 2.305,459 0.378,460 -0.561,461 -0.697,463 -1.333,464 -0.525,465 11.333,466 0.472,467 0.554,468 0.023,469 37.25,470 1.552,471 21,472 0.875,473 16.25,474 0.677,475 14.723,476 0.613,477 24.067,478 0.617,479 25.588,480 1.066,481 7.456,482 0.311,483 4.247,484 0.177,485 0.079,487 0.353,493 1,494 1.188,495 0.724,496 0.928,497 1.128,498 0.802,499 0.751,500 1.023,501 0.719,502 0.975,503 0.555,504 0.87,505 1.442,506 1.039,507 0.993,508 0.973,509 1.128,510 0.917,511 1.336,512 1.07,513 0.978,514 1.067,515 0.921,516 1.007,517 1.587,518 1.047,519 1.179,520 0.961,521 1.534,522 1.003,523 0.581,524 0.897,525 0.817,526 0.935,527 0.638,528 0.917,529 1.338,530 0.965,531 1.21,532 0.957,533 1.264,534 1.049,535 0.553,536 1.104,537 1.095,538 1.213,539 0.804,540 1.231,541 4.5,542 0.069,543 2.444,544 1.625,545 1.049,546 0.712,547 0.387,548 0.28,549 0.175,550 0.135,551 6244,552 16724,553 2.161,554 38.5,556 7,557 1,558 1,559 3,560 3,564 1.674,565 2.057,566 3.065,567 0.998,568 1,569 1,571 1,573 60.859,574 1.56,575 3.684,576 4.557,577 5.061,578 5.112,579 5.112,580 2.44,581 4.168,582 4.562,583 3.228,584 890.924,585 7.895,586 10318.2,587 1,588 1,589 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.008,596 0.064,597 0.044,598 0.03,599 0.022,600 0.011,601 0.01,602 0.008,603 0.009,604 0.374,605 0.5,606 1,607 0.49,608 112.189,609 -0.122,610 -0.086,611 0.036,612 0.004,613 -0.256,614 0.043,615 0.23,616 0.033,617 0.12,618 -0.027,619 0.273,620 0.015,621 -0.218,622 -0.017,623 -0.071,624 -0.032,625 -0.17,626 -0.017,627 0.058,628 -0.103,629 -0.03,630 -0.096,631 0.114,632 -0.086,633 -0.341,634 -0.036,635 -0.234,636 -0.019,637 -0.378,638 -0.094,639 0.3,640 0.093,641 0.136,642 0.04,643 0.316,644 0.055,645 -0.299,646 0.013,647 -0.242,648 0.013,649 -0.298,650 -0.088,651 0.033,652 -0.166,653 -0.121,654 -0.208,655 -0.019,656 -0.195,657 1.437,658 2.583,659 0.875,660 16.34,661 1.007,662 1.122,663 2.7,664 7.289,665 0.7,666 3.332,667 3.664,668 3.951,669 4.263,670 4.443,671 4.511,672 4.595,673 4.727,674 4.718,675 4.771,676 5.359,677 0.678,678 317.38,679 3.332,680 4.875,681 5.733,682 6.621,683 7.494,684 8.386,685 9.264,686 10.157,687 11.037,688 11.931,689 12.8,693 1,697 1,699 3,703 2,704 9,705 3,706 1,709 6,711 22,722 1,729 1,731 39,733 22,734 1,735 27,737 42,738 18,739 17,740 3,741 3,746 4,747 5,752 1,761 17,762 1,777 1,778 1,781 15,782 5,783 3,784 6,790 5,794 0.75,795 1,805 1,806 1,807 1,811 1,812 3,815 1,840 3,844 1,848 24,849 1,856 1,870 2.6,875 1,877 11.667,878 7.35,879 5.194,880 2.185,881 4.445,882 1.602,883 1.047,884 3.634,885 11.829,886 3.664,887 4.334,888 4.974,889 5.618,890 6.129,891 6.416,892 6.81,893 7.254,894 7.461,895 7.826,896 1,897 37,898 8.784,900 3.729,901 7.681,902 16.667,904 13.531,905 2.181,906 52.333,910 141.253,911 118.627,912 100.039,914 11,917 118.627,918 152.253,919 100.039,920 8.825,922 108.278,923 62.128,924 53.348,925 20.629,926 117.711,928 141.253,929 218.666,930 11,933 141.253,934 11,937 42.071,938 126.239,939 50.357,941 141.253,942 111.039,943 118.627,946 141.253,947 25.373,948 93.254,949 16.786,950 94.254,951 141.253,952 111.039,953 118.627,955 0.581,956 0.34,957 0.2,958 0.103,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.613,966 204.217,967 0.095,968 21,969 110.039,974 14.669,975 5.947,976 2.851,977 2,978 94.254,979 16.984,980 12.775,981 3.169,984 3.676,986 49.683,987 370.919,988 38,999 39.254,1000 43.777,1001 0.295,1002 0.697,1003 0.862,1004 0.958,1005 0.967,1006 0.967,1007 4.879,1008 1.427,1009 5.714,1010 3.681,1011 4.344,1012 5.021,1013 0.908,1014 6.529,1015 4.249,1016 6.108,1017 1.058,1018 7.268,1019 3.25,1020 3.892,1021 4.808,1023 7.413,1024 3.754,1025 7.422,1026 1,1027 8.922,1028 2.697,1029 5.932,1030 7.299,1031 0.739,1032 10.541,1033 5.753,1034 8.775,1035 0.662,1036 10.637,1037 2.234,1038 6.312,1039 7.939,1041 12.279,1042 6.096,1043 10.16,1044 0.044,1045 12.393,1046 1.678,1047 7.81,1048 9.866,1049 0.593,1050 14.904,1051 7.559,1052 11.568,1053 -0.347,1054 14.177,1055 0.113,1056 8.585,1057 10.926,1059 16.99,1060 8.302,1061 12.995,1062 -0.395,1063 15.981,1064 -0.891,1065 9.856,1066 12.604,1067 0.469,1068 19.436,1069 9.54,1070 3.11,1071 -0.561,1072 17.801,1073 -1.032,1074 10.817,1075 13.874,1077 21.666,1078 10.469,1079 2.988,1080 10.468,1081 19.632,1082 -1.333,1083 11.994,1084 15.438,1085 0.366,1086 24.043,1087 11.613,1088 2.57,1089 10.06,1090 21.473,1091 4.462,1092 13.04,1093 16.813,1095 26.332,1096 12.626,1097 2.109,1098 7.447,1099 23.32,1100 4.094,1101 14.179,1102 18.326,1103 0.283,1104 28.683,1105 13.732,1106 1.879,1107 6.328,1108 25.173,1109 3.562,1110 15.264,1111 19.752,1113 30.998,1114 14.783,1115 1.818,1116 5.309,1117 27.03,1118 2.866,1119 16.389,1120 21.244,1121 0.217,1122 33.339,1123 15.873,1124 1.548,1125 4.963,1126 28.891,1127 2.512,1128 17.491,1129 22.696,1131 35.665,1132 16.941,1133 5875,1134 9751,1135 18.493,1136 27.29,1137 40.865,1138 40.6,1139 41.332,1140 40.425,1141 40.426,1142 56.788,1143 1.72,1144 116.456,1145 38.494,1146 5.319,1147 5.301,1148 6.255,1149 5.163,1150 5.11,1151 7.462,1152 1.72,1153 17.472,1154 4.986,1155 8.705,1156 1.514,1157 1.504,1158 1.531,1159 1.497,1160 1.497,1161 2.103,1162 0.064,1163 4.313,1164 1.426,1165 4.119,1166 4.15,1167 4.08,1168 4.024,1169 5.231,1170 4.034,1171 3.955,1172 3.996,1173 3.921,1174 3.843,1175 5.052,1176 3.857,1177 3.714,1178 3.766,1179 3.662,1180 3.558,1181 4.881,1182 3.576,1183 3.398,1184 3.453,1185 3.298,1186 3.267,1187 4.577,1188 3.265,1189 3.177,1190 3.283,1191 3.004,1192 2.95,1193 4.394,1194 2.948,1195 3.048,1196 3.096,1197 2.963,1198 2.865,1199 4.129,1200 2.887,1201 2.977,1202 3.04,1203 2.87,1204 2.78,1205 4.029,1206 2.796,1207 2.699,1208 2.77,1209 2.598,1210 2.496,1211 3.736,1212 2.516,1213 0.168,1214 0.122,1215 0.243,1216 0.151,1217 0.115,1218 4.529,1219 0.165,1220 3.301,1221 0.032,1222 6.574,1223 0.388,1224 4.069,1225 0.111,1226 3.11,1227 4.462,1228 0.86,1229 10.468,1230 2.986,1231 1.941,1232 1.922,1233 2.016,1234 2.061,1235 1.139,1236 2.045,1237 1.878,1238 1.848,1239 1.964,1240 1.99,1241 1.047,1242 1.984,1243 1.657,1244 1.608,1245 1.801,1246 1.834,1247 0.831,1248 1.824,1249 1.481,1250 1.42,1251 1.654,1252 1.692,1253 0.657,1254 1.686,1255 1.147,1256 1.054,1257 1.452,1258 1.445,1259 0.44,1260 1.461,1261 1.019,1262 0.965,1263 1.225,1264 1.22,1265 0.297,1266 1.234,1267 0.964,1268 0.896,1269 1.223,1270 1.188,1271 0.085,1272 1.209,1273 0.811,1274 0.768,1275 1.017,1276 1.078,1277 0.019,1278 1.053,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.595,1285 8.473,1286 6.605,1287 10.138,1289 1.874,1293 5.772,1297 6.083,1305 26.456,1306 60.859,1307 143.685,1308 177.724,1309 197.376,1310 199.376,1311 199.376,1312 26.844,1313 7.385,1314 89.71,1315 89.71,1316 23,1317 12.46,1318 4.524,1319 3.585,1320 33.664,1321 76,1322 62,1323 0.214,1324 162.553,1325 264.31,1326 388.389,1327 16524,1329 16.518,1330 0.688,1331 0.543,1332 16.518,1333 13.023,1334 11.704,1335 0.433,1336 0.278,1337 7.409,1338 11.279,1339 7.23,1340 6.023,1341 11.704,1342 7.511,1343 10.667,1344 0.281,1345 0.142,1346 10.667,1347 5.406,1348 8.867,1349 0.174,1350 0.072,1351 8.867,1352 3.68,1353 8.091,1354 0.116,1355 0.038,1356 8.091,1357 2.646,1358 6.13,1359 0.073,1360 0.019,1361 6.13,1362 1.624,1363 0.327,1364 73.051,1365 0.233,1366 22.992,1367 0.618,1368 130,1369 372.316,1370 143.06,1371 367.506,1372 520.38,1373 346,1374 154,1375 406.188,1376 166.811,1377 410.898,1378 602.29,1379 388,1380 5}
{0 CHEMBL2165044,1 1.622,2 9.375,3 1.812,4 3.285,5 87.747,6 7.888,7 0.692,8 3.833,9 3.965,10 3.448,11 3.29,12 5.046,13 3.31,14 4.303,15 4.498,16 3.785,17 3.606,18 5.504,19 3.618,20 4.395,21 4.579,22 3.837,23 3.731,24 5.544,25 3.734,26 4.495,27 4.689,28 3.814,29 3.803,30 5.64,31 3.766,32 4.611,33 4.839,34 3.771,35 3.859,36 5.676,37 3.787,38 4.612,39 4.867,40 3.724,41 3.775,42 5.66,43 3.7,44 4.489,45 4.737,46 3.542,47 3.615,48 5.56,49 3.552,50 4.322,51 4.564,52 3.245,53 3.454,54 5.345,55 3.342,56 0.064,57 0.674,58 7.623,59 2.901,60 8.776,61 3.97,62 0.381,63 0.973,64 14.91,65 4.619,66 29.115,67 6.458,68 0.259,69 1.106,70 15.321,71 4.562,72 20.931,73 6.587,74 0.349,75 1.181,76 17.265,77 5.736,78 27.617,79 8.048,80 0.341,81 1.25,82 20.708,83 6.636,84 32.83,85 9.951,86 0.361,87 1.174,88 22.286,89 6.948,90 36.72,91 10.528,92 0.47,93 1.006,94 19.949,95 5.25,96 37.043,97 7.89,98 0.211,99 0.827,100 16.216,101 5.295,102 26.851,103 7.844,104 18,105 36,106 0.285,107 0.65,108 0.827,109 0.87,110 0.87,111 0.87,112 3.229,113 0.837,114 -4.45,115 -4.38,116 -4.13,119 39,120 1,124 2,142 4,143 1,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 5,175 10,177 2,178 2,183 1,186 1,187 7,198 4,199 6,201 1,202 1,204 2,207 2,209 2,211 2,212 3,217 1,220 3,222 1,223 2,224 6,226 2,227 2,229 1,232 3,234 1,236 3,237 4,245 1,250 2,255 1,258 1,260 1,262 3,263 3,265 1,266 1,268 1,271 1,273 1,275 834,276 16.162,277 16.162,278 16.162,279 16.162,280 16.162,281 13.998,282 19.58,283 9.5,284 16.797,285 12.76,286 12.76,287 12.76,288 12.76,289 12.76,290 9.499,291 26.36,292 4.429,293 13.708,294 3.735,295 1.65,296 0.641,297 0.397,298 0.397,299 0.397,300 3.908,303 1,304 1,305 1,306 476,307 2.739,311 226.91,318 1.49,319 19.218,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 52.5,331 225,332 4.477,333 3.318,334 6.748,335 4.109,336 3.161,337 4.133,338 0.86,339 10.98,340 3,341 4.141,342 2.926,343 6.08,344 3.726,345 2.793,346 3.724,347 0.8,348 8.75,349 2.61,350 3.939,351 2.789,352 5.484,353 3.459,354 2.534,355 3.526,357 7.216,358 2.341,359 3.584,360 2.498,361 5.277,362 3.208,363 2.287,364 2.879,366 6.652,367 2.093,368 3.232,369 2.086,370 4.949,371 2.797,372 1.879,373 2.505,375 5.429,376 1.726,377 3.226,378 1.923,379 4.618,380 2.759,381 1.831,382 2.481,384 4.963,385 1.693,386 2.917,387 1.581,388 4.155,389 2.463,390 1.493,391 2.085,393 3.509,394 1.445,395 2.551,396 1.152,397 3.641,398 2.001,399 1.06,400 1.576,402 2.697,403 0.995,404 2.5,405 1.066,406 3.49,407 1.96,408 1,409 1.5,411 2.275,412 0.957,413 2.121,414 1,415 3.414,416 1.769,417 0.847,418 1.041,420 1.986,421 0.777,422 1.593,423 0.829,424 2.749,425 1.297,426 0.434,427 0.488,428 0.671,429 0.372,430 1.009,431 -0.126,432 2.625,433 0.582,434 -0.347,435 -0.445,436 -0.891,437 -0.317,438 1,439 -0.19,440 2.382,441 0.566,442 -0.353,443 -0.458,445 -0.904,446 -0.328,447 0.774,448 -0.254,449 2.22,450 0.374,451 -0.545,452 -0.661,454 -1.114,455 -0.495,456 0.673,457 -0.379,458 2,459 0.302,460 -0.619,461 -0.729,463 -1.388,464 -0.571,465 11.133,466 0.464,467 0.592,468 0.025,469 36.5,470 1.521,471 19.5,472 0.813,473 17,474 0.708,475 15.473,476 0.645,477 25.467,478 0.621,479 26.267,480 1.094,481 7.403,482 0.308,483 4.177,484 0.174,485 0.171,487 0.35,493 0.987,494 1.618,495 0.742,496 1.217,497 1.085,498 0.975,499 0.985,500 0.867,501 0.701,502 0.714,503 0.638,504 0.676,505 1.23,506 1.257,507 0.959,508 0.961,509 1.038,510 0.904,511 0.999,512 1.071,513 1.103,514 1.098,515 0.936,516 1.115,517 0.8,518 1.142,519 1.071,520 1.127,521 1.051,522 1.133,523 0.709,524 1.008,525 0.889,526 1.034,527 0.79,528 0.996,529 1.312,530 0.825,531 1.183,532 0.852,533 1.137,534 0.967,535 0.955,536 1.227,537 1.212,538 1.393,539 1.225,540 1.355,541 5,542 0.095,543 2.667,544 1.938,545 1.378,546 0.924,547 0.508,548 0.351,549 0.217,550 0.108,551 5800,552 17239,553 2.04,554 41.5,556 10,558 2,559 2,560 3,564 1.673,565 1.895,566 3.198,567 0.378,568 1,569 1,571 1,573 66.521,574 1.622,575 3.708,576 4.717,577 4.961,578 4.961,579 4.961,580 2.705,581 3.685,582 4.555,583 3.334,584 920.174,585 7.884,586 10572.6,587 1,588 1,590 1,591 219.66,592 1.459,593 4.507,594 0.192,595 0.012,596 0.074,597 0.051,598 0.038,599 0.027,600 0.016,601 0.013,602 0.012,603 0.008,604 0.444,605 0.17,606 1,607 0.813,608 112.691,609 -0.107,610 -0.408,611 0.055,612 -0.184,613 -0.216,614 -0.055,615 0.18,616 0.222,617 0.23,618 0.243,619 0.295,620 0.235,621 -0.24,622 -0.107,623 -0.082,624 -0.009,625 -0.175,626 -0.009,627 -0.077,628 0.047,629 -0.221,630 -0.124,631 -0.076,632 -0.193,633 -0.053,634 -0.106,635 -0.154,636 -0.135,637 -0.163,638 -0.156,639 0.093,640 -0.053,641 0.09,642 -0.046,643 0.111,644 0.01,645 -0.189,646 0.152,647 -0.182,648 0.072,649 -0.11,650 -0.031,651 -0.11,652 -0.288,653 -0.248,654 -0.384,655 -0.194,656 -0.344,657 1.485,658 1.746,659 0.75,660 18.417,661 1.011,662 1.141,663 3.221,664 10.378,665 0.666,666 3.296,667 3.611,668 3.871,669 4.127,670 4.344,671 4.382,672 4.431,673 4.443,674 4.489,675 4.419,676 5.545,677 0.646,678 323.4,679 3.296,680 4.828,681 5.673,682 6.55,683 7.413,684 8.296,685 9.166,686 10.052,687 10.926,688 11.813,689 17.1,693 1,697 1,699 5,702 1,704 6,705 5,709 7,711 18,722 1,726 1,729 1,731 41,733 18,735 26,737 43,738 16,739 13,746 3,747 3,752 1,761 13,762 3,777 1,778 1,781 17,782 8,783 2,784 8,790 7,794 1,795 1,805 2,812 3,840 3,844 3,848 24,849 1,856 1,859 1,870 2.4,875 1,877 12.667,878 8.45,879 5.361,880 2.167,881 3.452,882 1.496,883 0.972,884 4.539,885 10.414,886 3.584,887 4.197,888 4.777,889 5.357,890 5.915,891 6.101,892 6.442,893 6.788,894 7.13,895 7.376,896 1,897 38,898 8.748,900 3.558,901 7.757,902 16.415,904 12.608,905 2.257,906 54.167,910 176.567,911 103.744,912 119.949,914 11,917 103.744,918 187.566,919 119.949,920 28.105,922 70.802,923 107.47,924 42.817,925 9.042,926 153.024,928 176.567,929 223.693,930 11,933 181.222,934 11,937 31.943,938 103.166,939 83.928,941 176.567,942 130.949,943 103.744,946 176.567,947 19.64,948 87.229,950 127.825,951 176.567,952 130.949,953 103.744,955 0.578,956 0.341,957 0.187,958 0.102,959 17,960 8,961 0.093,962 4,964 1,965 3.515,966 195.5,968 18,969 108.039,974 16.092,975 6.769,976 3.442,978 130.949,979 10.836,980 21.275,984 4.074,986 32.897,987 411.26,988 35,999 41.458,1000 46.774,1001 0.303,1002 0.692,1003 0.88,1004 0.926,1005 0.926,1006 0.926,1007 4.8,1008 1.06,1009 5.659,1010 3.509,1011 4.29,1012 4.883,1013 1.235,1014 6.466,1015 4.156,1016 6.013,1017 1,1018 7.217,1019 2.697,1020 3.892,1021 4.62,1022 0.325,1023 7.365,1024 3.69,1025 7.316,1026 0.847,1027 8.875,1028 2.275,1029 5.878,1030 7.071,1031 0.938,1032 10.472,1033 5.617,1034 8.654,1035 0.434,1036 10.591,1037 1.986,1038 6.275,1039 7.571,1040 0.268,1041 12.204,1042 5.949,1043 10.02,1044 -0.347,1045 12.347,1046 0.671,1047 7.745,1048 9.507,1049 0.732,1050 14.847,1051 7.371,1052 11.407,1053 -0.353,1054 14.13,1055 -0.891,1056 8.52,1057 10.393,1058 0.188,1059 16.942,1060 8.087,1061 12.81,1062 -0.545,1063 15.934,1064 -0.904,1065 9.779,1066 12.081,1067 0.57,1068 19.423,1069 9.3,1070 3.161,1071 -0.619,1072 17.755,1073 -1.114,1074 10.738,1075 13.183,1076 0.125,1077 21.681,1078 10.205,1079 2.793,1080 10.98,1081 19.589,1082 -1.388,1083 11.912,1084 14.738,1085 0.438,1086 24.103,1087 11.332,1088 2.534,1089 8.75,1090 21.435,1091 4.133,1092 12.96,1093 15.964,1094 0.082,1095 26.433,1096 12.329,1097 2.287,1098 7.216,1099 23.289,1100 3.724,1101 14.103,1102 17.448,1103 0.334,1104 28.835,1105 13.425,1106 1.879,1107 6.652,1108 25.152,1109 3.526,1110 15.195,1111 18.747,1112 0.054,1113 31.199,1114 14.467,1115 1.831,1116 5.429,1117 27.02,1118 2.879,1119 16.329,1120 20.192,1121 0.252,1122 33.594,1123 15.553,1124 1.493,1125 4.963,1126 28.895,1127 2.505,1128 17.444,1129 21.535,1130 0.035,1131 35.973,1132 16.618,1133 5733,1134 10018,1135 17.107,1136 27.301,1137 38.947,1138 38.95,1139 40.326,1140 38.619,1141 38.637,1142 51.878,1143 3.32,1144 110.253,1145 36.02,1146 5.261,1147 5.318,1148 6.426,1149 5.209,1150 5.161,1151 7.133,1152 1.72,1153 18.379,1154 4.944,1155 12.288,1156 1.498,1157 1.498,1158 1.551,1159 1.485,1160 1.486,1161 1.995,1162 0.128,1163 4.241,1164 1.385,1165 3.997,1166 4.043,1167 3.965,1168 3.859,1169 5.259,1170 3.879,1171 3.845,1172 3.89,1173 3.805,1174 3.706,1175 4.992,1176 3.722,1177 3.695,1178 3.754,1179 3.646,1180 3.495,1181 4.869,1182 3.528,1183 3.34,1184 3.411,1185 3.205,1186 3.095,1187 4.67,1188 3.109,1189 3.172,1190 3.278,1191 2.993,1192 2.944,1193 4.403,1194 2.941,1195 3.161,1196 3.253,1197 2.938,1198 2.898,1199 4.03,1200 2.891,1201 2.96,1202 3.049,1203 2.857,1204 2.743,1205 4.022,1206 2.76,1207 2.78,1208 2.862,1209 2.627,1210 2.613,1211 3.797,1212 2.6,1213 0.172,1214 0.128,1215 0.26,1216 0.158,1217 0.122,1218 4.477,1219 0.159,1220 3.318,1221 0.033,1222 6.748,1223 0.422,1224 4.109,1225 0.115,1226 3.161,1227 4.133,1228 0.86,1229 10.98,1230 3,1231 1.909,1232 1.871,1233 1.987,1234 2.066,1235 1.064,1236 2.044,1237 1.785,1238 1.749,1239 1.884,1240 1.956,1241 0.919,1242 1.932,1243 1.613,1244 1.551,1245 1.763,1246 1.827,1247 0.766,1248 1.81,1249 1.286,1250 1.21,1251 1.608,1252 1.571,1253 0.642,1254 1.584,1255 1.151,1256 1.061,1257 1.54,1258 1.443,1259 0.563,1260 1.479,1261 1.144,1262 1.046,1263 1.439,1264 1.442,1265 0.333,1266 1.46,1267 0.898,1268 0.821,1269 1.138,1270 1.179,1271 0.137,1272 1.176,1273 0.785,1274 0.71,1275 1.075,1276 1.001,1277 0.037,1278 1.031,1279 3.97,1281 5.283,1283 6.801,1285 8.41,1287 10.065,1289 5.248,1293 5.746,1297 5.088,1300 1.9,1305 26.499,1306 66.521,1307 152.011,1308 193.395,1309 203.395,1310 203.395,1311 203.395,1312 28.73,1313 6.961,1314 102.94,1315 102.94,1316 18,1317 12.346,1318 4.248,1319 3.322,1320 39.074,1321 77,1322 96,1323 0.246,1324 167.277,1325 277.61,1326 399.917,1327 9154,1329 17.104,1330 0.713,1331 0.568,1332 17.104,1333 13.633,1334 11.58,1335 0.445,1336 0.279,1337 7.097,1338 10.958,1339 6.837,1340 5.762,1341 11.58,1342 7.255,1343 10.338,1344 0.287,1345 0.14,1346 10.338,1347 5.057,1348 8.583,1349 0.183,1350 0.073,1351 8.583,1352 3.427,1353 7.257,1354 0.119,1355 0.037,1356 7.257,1357 2.276,1358 5.593,1359 0.074,1360 0.019,1361 5.593,1362 1.419,1363 0.377,1364 73.637,1365 0.242,1366 23.109,1367 0.706,1368 124,1369 398.918,1370 140.366,1371 387.094,1372 538.57,1373 364,1374 145,1375 409.94,1376 161.008,1377 415.843,1378 603.57,1379 388,1380 5}
{0 CHEMBL2165045,1 1.582,2 8.045,3 2.726,4 7.433,5 85.061,6 7.929,7 0.75,8 3.729,9 3.855,10 3.338,11 3.264,12 4.968,13 3.267,14 4.155,15 4.316,16 3.681,17 3.602,18 5.401,19 3.586,20 4.366,21 4.559,22 3.677,23 3.684,24 5.517,25 3.654,26 4.372,27 4.586,28 3.633,29 3.648,30 5.503,31 3.593,32 4.372,33 4.586,34 3.586,35 3.657,36 5.495,37 3.607,38 4.386,39 4.613,40 3.602,41 3.659,42 5.531,43 3.585,44 4.356,45 4.599,46 3.368,47 3.548,48 5.445,49 3.46,50 4.194,51 4.447,52 3.097,53 3.323,54 5.283,55 3.198,56 0.068,57 0.587,58 6.809,59 2.818,60 11.566,61 3.543,62 0.146,63 0.883,64 11.231,65 4.717,66 17.889,67 6.21,68 0.219,69 1.025,70 15.305,71 5.043,72 28.425,73 6.748,74 0.242,75 1.001,76 16.132,77 5.759,78 26.836,79 8.043,80 0.252,81 1.013,82 16.076,83 5.074,84 33.587,85 6.961,86 0.267,87 1.002,88 16.724,89 6.253,90 32.127,91 8.811,92 0.247,93 0.926,94 16.878,95 5.358,96 31.125,97 7.526,98 0.211,99 0.714,100 15.217,101 5.491,102 33.006,103 7.722,104 10,105 33,106 0.283,107 0.652,108 0.805,109 0.9,110 0.9,111 0.9,112 3.147,113 0.843,114 -3.52,115 -3.5,116 -3.34,119 43.2,120 1,142 7,143 1,144 2,145 1,146 2,147 1,150 1,163 1,164 1,165 1,172 4,174 1,175 6,177 2,178 3,180 5,183 6,187 2,192 3,195 2,198 1,199 6,202 1,203 1,204 7,207 4,209 3,212 2,217 1,220 4,222 1,223 1,224 5,226 1,227 3,228 1,229 3,231 1,232 7,234 1,237 1,242 1,245 3,250 3,253 1,255 4,258 4,260 2,263 1,268 1,271 1,273 1,275 640,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.474,282 17.231,283 8.832,284 15.065,285 11.898,286 11.898,287 11.898,288 11.898,289 11.898,290 8.603,291 26.256,292 4.256,293 12.45,294 3.627,295 1.565,296 0.714,297 0.183,298 0.183,299 0.183,300 3.828,303 1,304 1,305 1,306 376,307 2.121,311 200.932,318 1.236,319 19.278,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 177,332 4.422,333 3.129,334 6.526,335 4.03,336 3.063,337 4.104,338 0.4,339 10.308,340 2.963,341 4.069,342 2.832,343 5.622,344 3.64,345 2.683,346 3.674,348 7.751,349 2.572,350 3.93,351 2.653,352 5.42,353 3.464,354 2.514,355 3.521,357 7.124,358 2.381,359 3.341,360 2.249,361 4.961,362 2.963,363 2.021,364 2.603,366 5.708,367 1.899,368 3.232,369 2.084,370 4.671,371 2.819,372 1.879,373 2.481,375 4.967,376 1.759,377 3.194,378 1.869,379 4.618,380 2.732,381 1.786,382 2.466,384 4.963,385 1.685,386 2.861,387 1.469,388 3.95,389 2.392,390 1.414,391 2.016,393 3.226,394 1.38,395 2.653,396 1.211,397 3.593,398 2.167,399 1.176,400 1.725,402 2.697,403 1.164,404 2.55,405 1.067,406 3.479,407 2.01,408 1.058,409 1.574,411 2.582,412 1.005,413 1.394,414 0.238,415 2.902,416 1.046,417 0.1,418 0.125,420 0.264,421 0.094,422 1,423 -0.057,424 2.612,425 0.602,426 -0.347,427 -0.445,428 -0.879,429 -0.328,430 0.982,431 -0.126,432 2.382,433 0.559,434 -0.382,435 -0.492,436 -0.891,437 -0.355,438 0.886,439 -0.26,440 2,441 0.481,442 -0.446,443 -0.559,445 -1.138,446 -0.41,447 0.715,448 -0.457,449 2,450 0.323,451 -0.624,452 -0.759,454 -1.543,455 -0.59,456 0.593,457 -0.769,458 2,459 0.138,460 -0.834,461 -1.134,463 -2.056,464 -0.81,465 10.333,466 0.47,467 0.558,468 0.025,469 34,470 1.545,471 19.5,472 0.886,473 14.5,474 0.659,475 12.916,476 0.587,477 22.667,478 0.613,479 23.239,480 1.056,481 6.834,482 0.311,483 3.781,484 0.172,485 0.119,487 0.339,493 1.082,494 1.209,495 0.791,496 0.904,497 1.144,498 0.814,499 0.592,500 1.098,501 0.722,502 1.04,503 0.493,504 0.929,505 1.326,506 1.159,507 1.096,508 0.989,509 1.143,510 0.991,511 0.765,512 1.127,513 0.903,514 1.06,515 0.676,516 1.015,517 1.293,518 1.031,519 1.151,520 0.915,521 1.174,522 0.978,523 0.492,524 0.941,525 0.848,526 1.033,527 0.52,528 1.007,529 1.183,530 0.899,531 1.201,532 0.993,533 1.027,534 1.062,535 0.872,536 0.983,537 0.999,538 1.131,539 1.029,540 1.11,541 5,542 0.037,543 1.778,544 1.688,545 1.018,546 0.681,547 0.365,548 0.321,549 0.151,550 0.119,551 4682,552 13617,553 2.07,554 40.5,556 7,558 1,559 4,560 3,564 1.649,565 1.941,566 3.046,567 1.87,568 1,569 1,571 1,573 58.537,574 1.582,575 3.644,576 4.496,577 5.027,578 5.027,579 5.027,580 2.461,581 3.641,582 4.434,583 3.192,584 737.444,585 7.637,586 8072.81,587 1,588 1,589 1,590 1,591 192.75,592 1.395,593 4.392,594 0.208,595 0.006,596 0.054,597 0.053,598 0.034,599 0.023,600 0.013,601 0.015,602 0.009,603 0.012,604 0.427,605 0.5,606 1,607 0.595,608 100.038,609 -0.19,610 -0.061,611 -0.002,612 0.072,613 -0.27,614 0.068,615 0.209,617 0.116,618 -0.063,619 0.198,620 -0.01,621 -0.281,622 -0.087,623 -0.186,624 -0.059,625 -0.237,626 -0.094,627 0.12,628 -0.125,629 0.039,630 -0.092,631 0.116,632 -0.053,633 -0.308,634 0.025,635 -0.217,636 0.012,637 -0.268,638 -0.064,639 0.277,640 0.038,641 0.102,642 -0.044,643 0.203,644 -0.014,645 -0.236,646 0.085,647 -0.216,648 -0.045,649 -0.148,650 -0.1,651 0.096,652 -0.139,653 0.037,654 -0.1,655 0.105,656 -0.054,657 1.482,658 3.553,659 0.818,660 14.992,661 1.007,662 1.129,663 2.293,664 5.257,665 0.684,666 3.219,667 3.526,668 3.738,669 4.025,670 4.22,671 4.234,672 4.248,673 4.357,674 4.331,675 4.317,676 5.183,677 0.661,678 293.36,679 3.219,680 4.745,681 5.572,682 6.444,683 7.288,684 8.166,685 9.017,686 9.897,687 10.752,688 11.632,689 13.5,693 1,697 1,699 3,704 8,705 3,709 7,711 18,722 1,724 1,728 1,731 37,733 18,734 1,735 24,737 39,738 16,739 15,740 2,741 4,746 3,747 3,752 1,761 15,762 1,777 1,778 1,781 15,782 6,783 4,784 6,790 5,794 1,795 1,805 1,806 1,812 3,840 3,844 1,848 22,849 1,853 1,855 1,870 2.7,872 1,877 11.333,878 6.8,879 4.806,880 1.978,881 3.483,882 1.512,883 0.982,884 3.897,885 10.286,886 3.526,887 4.151,888 4.698,889 5.295,890 5.833,891 5.994,892 6.31,893 6.738,894 7.039,895 7.315,896 1,897 32,898 8.035,900 3.351,901 7.826,902 15.059,904 11.909,905 2.326,906 51.167,910 129.482,911 99.889,912 101.265,914 42.683,917 99.889,918 172.165,919 101.265,920 8.825,922 99.231,923 104.811,924 38.514,925 4.227,926 117.711,928 129.482,929 201.154,930 42.683,933 129.482,934 42.683,937 43.296,938 107.501,939 50.357,941 129.482,942 143.948,943 99.889,946 129.482,947 15.683,948 84.206,949 18.011,950 125.937,951 129.482,952 143.948,953 99.889,955 0.577,956 0.321,957 0.184,958 0.101,959 16,960 7,961 0.077,962 3,964 1,965 3.4,966 171.631,968 18,969 98.107,974 14.295,975 5.997,976 3.347,978 143.948,979 14.102,980 12.685,984 4.064,986 93.591,987 373.319,988 33,999 37.254,1000 41.777,1001 0.304,1002 0.7,1003 0.863,1004 0.965,1005 0.965,1006 0.965,1007 4.732,1008 1.176,1009 5.549,1010 3.226,1011 4.205,1012 4.836,1013 0.278,1014 6.319,1015 4.117,1016 5.947,1017 1.058,1018 7.076,1019 2.697,1020 3.761,1021 4.559,1023 7.096,1024 3.617,1025 7.244,1026 0.1,1027 8.698,1028 2.582,1029 5.753,1030 7.024,1031 0.05,1032 10.197,1033 5.583,1034 8.573,1035 -0.347,1036 10.376,1037 0.264,1038 6.066,1039 7.487,1041 11.815,1042 5.847,1043 9.927,1044 -0.382,1045 12.091,1046 -0.879,1047 7.561,1048 9.449,1049 0.008,1050 14.433,1051 7.319,1052 11.302,1053 -0.446,1054 13.834,1055 -0.891,1056 8.26,1057 10.305,1059 16.443,1060 7.976,1061 12.692,1062 -0.624,1063 15.599,1064 -1.138,1065 9.529,1066 12.012,1067 0.001,1068 18.88,1069 9.221,1070 3.063,1071 -0.834,1072 17.382,1073 -1.543,1074 10.428,1075 13.09,1077 21.069,1078 10.083,1079 2.683,1080 10.308,1081 19.18,1082 -2.056,1083 11.596,1084 14.656,1086 23.437,1087 11.224,1088 2.514,1089 7.751,1090 20.99,1091 4.104,1092 12.597,1093 15.865,1095 25.706,1096 12.191,1097 2.021,1098 7.124,1099 22.81,1100 3.674,1101 13.722,1102 17.352,1104 28.05,1105 13.288,1106 1.879,1107 5.708,1108 24.639,1109 3.521,1110 14.774,1111 18.638,1113 30.354,1114 14.307,1115 1.786,1116 4.967,1117 26.476,1118 2.603,1119 15.884,1120 20.082,1122 32.689,1123 15.388,1124 1.414,1125 4.963,1126 28.318,1127 2.481,1128 16.962,1129 21.414,1131 35.008,1132 16.434,1133 4587,1134 7931,1135 16.008,1136 25.29,1137 35.794,1138 35.318,1139 36.483,1140 35.445,1141 35.389,1142 48.581,1143 0.8,1144 99.176,1145 33.803,1146 5.202,1147 5.129,1148 6.208,1149 5.102,1150 5.063,1151 7.104,1152 0.8,1153 17.194,1154 4.963,1155 10.085,1156 1.491,1157 1.472,1158 1.52,1159 1.477,1160 1.475,1161 2.024,1162 0.033,1163 4.132,1164 1.408,1165 4.003,1166 4.043,1167 3.965,1168 3.894,1169 6.471,1170 3.906,1171 3.869,1172 3.902,1173 3.816,1174 3.78,1175 5.228,1176 3.784,1177 3.708,1178 3.76,1179 3.651,1180 3.559,1181 4.906,1182 3.575,1183 3.177,1184 3.283,1185 3.006,1186 2.956,1187 4.625,1188 2.954,1189 3.1,1190 3.168,1191 3,1192 2.893,1193 4.566,1194 2.911,1195 2.983,1196 3.068,1197 2.872,1198 2.772,1199 4.03,1200 2.79,1201 2.922,1202 2.967,1203 2.788,1204 2.745,1205 3.962,1206 2.746,1207 2.656,1208 2.74,1209 2.536,1210 2.474,1211 3.718,1212 2.482,1213 0.184,1214 0.13,1215 0.272,1216 0.168,1217 0.128,1218 4.422,1219 0.171,1220 3.129,1221 0.017,1222 6.526,1223 0.429,1224 4.03,1225 0.123,1226 3.063,1227 4.104,1228 0.4,1229 10.308,1230 2.963,1231 1.935,1232 1.903,1233 2.019,1234 2.066,1235 1.093,1236 2.052,1237 1.846,1238 1.819,1239 1.95,1240 1.964,1241 1.018,1242 1.96,1243 1.659,1244 1.609,1245 1.804,1246 1.831,1247 0.835,1248 1.824,1249 1.147,1250 1.056,1251 1.452,1252 1.445,1253 0.441,1254 1.461,1255 1.04,1256 0.973,1257 1.252,1258 1.287,1259 0.271,1260 1.281,1261 0.929,1262 0.851,1263 1.199,1264 1.207,1265 0.141,1266 1.217,1267 0.883,1268 0.837,1269 1.132,1270 1.13,1271 0.041,1272 1.13,1273 0.621,1274 0.553,1275 0.94,1276 0.881,1278 0.902,1279 3.892,1281 5.198,1283 6.698,1285 8.289,1287 9.925,1289 1.861,1293 5.723,1294 9.553,1296 3.178,1305 24.456,1306 58.537,1307 134.834,1308 166.343,1309 185.995,1310 185.995,1311 185.995,1312 28.504,1313 6.802,1314 96.95,1315 96.95,1316 18,1317 12.173,1318 4.248,1319 3.322,1320 34.266,1321 67,1322 62,1323 0.25,1324 153.689,1325 255.61,1326 366.761,1327 7628,1329 15.527,1330 0.706,1331 0.545,1332 15.527,1333 11.985,1334 10.614,1335 0.442,1336 0.281,1337 6.655,1338 10.241,1339 6.477,1340 5.423,1341 10.614,1342 6.743,1343 9.759,1344 0.296,1345 0.146,1346 9.759,1347 4.828,1348 7.469,1349 0.182,1350 0.075,1351 7.469,1352 3.064,1353 6.71,1354 0.122,1355 0.039,1356 6.71,1357 2.161,1358 5.1,1359 0.076,1360 0.02,1361 5.1,1362 1.364,1363 0.381,1364 66.23,1365 0.25,1366 21.411,1367 0.72,1368 114,1369 332.73,1370 125.235,1371 332.538,1372 460.05,1373 310,1374 131,1375 349.227,1376 141.154,1377 356.322,1378 513.98,1379 335,1380 5.31}
{0 CHEMBL2165046,1 1.606,2 9.478,3 2.218,4 4.92,5 84.694,6 7.907,7 0.72,8 3.783,9 3.912,10 3.397,11 3.275,12 4.996,13 3.288,14 4.235,15 4.41,16 3.726,17 3.593,18 5.456,19 3.59,20 4.36,21 4.553,22 3.733,23 3.683,24 5.494,25 3.668,26 4.397,27 4.602,28 3.662,29 3.692,30 5.503,31 3.643,32 4.434,33 4.655,34 3.625,35 3.727,36 5.504,37 3.659,38 4.444,39 4.678,40 3.605,41 3.685,42 5.503,43 3.608,44 4.39,45 4.644,46 3.394,47 3.531,48 5.449,49 3.447,50 4.223,51 4.498,52 3.175,53 3.307,54 5.165,55 3.207,56 0.06,57 0.632,58 7.196,59 2.879,60 8.611,61 3.765,62 0.298,63 0.923,64 13.268,65 4.783,66 26.317,67 6.37,68 0.245,69 1.042,70 15.101,71 4.704,72 22.767,73 6.564,74 0.277,75 1.045,76 16.142,77 5.517,78 25.316,79 7.666,80 0.272,81 1.069,82 17.114,83 5.687,84 28.235,85 8.235,86 0.229,87 1.042,88 17.984,89 6.345,90 26.508,91 9.183,92 0.326,93 0.948,94 17.71,95 5.065,96 34.01,97 7.493,98 0.206,99 0.718,100 16.314,101 5.222,102 24.385,103 7.742,104 11,105 34,106 0.284,107 0.639,108 0.796,109 0.866,110 0.884,111 0.884,112 3.189,113 0.84,114 -4.39,115 -4.32,116 -4.07,119 41,120 1,124 1,142 6,143 1,144 2,145 1,147 1,149 2,150 1,163 1,164 1,165 1,172 5,174 4,175 6,177 2,178 2,180 3,183 4,187 4,190 1,192 3,195 2,199 6,201 1,202 3,204 3,207 3,209 2,212 5,215 1,217 1,220 5,222 1,224 6,227 1,228 1,229 3,231 1,232 5,234 2,236 2,237 6,242 1,245 2,247 1,250 3,255 1,258 1,260 1,262 3,263 3,265 1,266 1,268 1,271 1,273 1,275 751,276 15.61,277 15.61,278 15.61,279 15.61,280 15.61,281 13.397,282 19.388,283 9.297,284 16.139,285 12.309,286 12.309,287 12.309,288 12.309,289 12.309,290 9.019,291 28.039,292 4.381,293 13.095,294 3.68,295 1.678,296 0.795,297 0.398,298 0.295,299 0.295,300 3.871,303 1,304 1,305 1,306 463,307 2.345,311 215.623,318 1.456,319 17.675,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50,331 218,332 4.422,333 3.127,334 6.526,335 4.026,336 3.063,337 4.103,338 0.86,339 10.307,340 2.957,341 4.062,342 2.877,343 5.606,344 3.614,345 2.678,346 3.663,347 0.4,348 7.678,349 2.51,350 3.937,351 2.723,352 5.425,353 3.462,354 2.53,355 3.524,357 7.131,358 2.352,359 3.475,360 2.408,361 5.143,362 3.093,363 2.168,364 2.765,366 6.33,367 1.992,368 3.232,369 2.086,370 4.839,371 2.799,372 1.879,373 2.504,375 5.273,376 1.745,377 3.225,378 1.9,379 4.618,380 2.777,381 1.825,382 2.481,384 4.963,385 1.714,386 2.864,387 1.482,388 3.957,389 2.407,390 1.421,391 2.02,393 3.238,394 1.399,395 2.55,396 1.112,397 3.593,398 2.028,399 1.058,400 1.575,402 2.697,403 1.024,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.757,414 1,415 3,416 1.456,417 0.593,418 0.666,420 1.029,421 0.508,422 1.335,423 0.319,424 2.681,425 1.014,426 0.086,427 0.104,428 0.182,429 0.079,430 1,431 -0.126,432 2.527,433 0.573,434 -0.347,435 -0.445,436 -0.891,437 -0.317,438 0.958,439 -0.21,440 2.382,441 0.54,442 -0.387,443 -0.496,445 -0.9,446 -0.358,447 0.772,448 -0.28,449 2,450 0.379,451 -0.551,452 -0.665,454 -1.249,455 -0.51,456 0.601,457 -0.648,458 2,459 0.18,460 -0.792,461 -1.022,463 -1.901,464 -0.765,465 10.733,466 0.467,467 0.52,468 0.023,469 35.25,470 1.533,471 19.5,472 0.848,473 15.75,474 0.685,475 13.862,476 0.603,477 24.067,478 0.617,479 24.281,480 1.056,481 7.16,482 0.311,483 3.992,484 0.174,485 0.13,487 0.326,493 1.015,494 1.406,495 0.757,496 1.079,497 1.129,498 0.9,499 0.893,500 0.979,501 0.736,502 0.883,503 0.612,504 0.818,505 1.223,506 1.149,507 1.016,508 0.949,509 1.07,510 0.932,511 0.985,512 1.06,513 1.054,514 1.053,515 0.904,516 1.063,517 0.853,518 1.044,519 1.071,520 1.014,521 1.119,522 1.053,523 0.683,524 1.134,525 0.9,526 1.115,527 0.736,528 1.059,529 1.121,530 0.896,531 1.216,532 0.989,533 1.256,534 1.077,535 0.885,536 0.949,537 0.807,538 0.958,539 0.807,540 0.889,541 5,542 0.095,543 2,544 1.438,545 1.138,546 0.743,547 0.363,548 0.323,549 0.217,550 0.108,551 5423,552 15904,553 2.067,554 41,556 9,558 1,559 3,560 3,564 1.659,565 1.944,566 3.215,567 1.075,568 1,569 1,571 1,573 62.621,574 1.606,575 3.608,576 4.49,577 4.888,578 4.99,579 4.99,580 2.682,581 4.002,582 4.494,583 3.356,584 849.152,585 7.75,586 9594.39,587 1,588 1,590 1,591 206.131,592 1.371,593 4.458,594 0.2,595 0.012,596 0.059,597 0.042,598 0.037,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.421,605 0.17,606 1,607 0.777,608 107.142,609 -0.13,610 -0.226,611 0.036,612 -0.075,613 -0.249,614 0.001,615 0.224,616 0.104,617 0.165,618 0.094,619 0.308,620 0.1,621 -0.228,622 -0.04,623 -0.12,624 -0.013,625 -0.195,626 -0.036,627 -0.077,628 -0.005,629 -0.143,630 -0.084,631 -0.038,632 -0.123,633 -0.1,634 -0.003,635 -0.157,636 -0.037,637 -0.208,638 -0.089,639 0.063,640 -0.167,641 0.048,642 -0.106,643 0.12,644 -0.049,645 -0.178,646 0.1,647 -0.228,648 -0.067,649 -0.23,650 -0.132,651 0.04,652 -0.118,653 0.25,654 0.06,655 0.16,656 0.173,657 1.464,658 1.725,659 0.783,660 17.58,661 1.009,662 1.135,663 3.158,664 9.972,665 0.674,666 3.258,667 3.555,668 3.784,669 4.043,670 4.263,671 4.277,672 4.304,673 4.407,674 4.419,675 4.394,676 5.608,677 0.653,678 308.38,679 3.258,680 4.779,681 5.609,682 6.475,683 7.323,684 8.195,685 9.05,686 9.924,687 10.782,688 11.658,689 15.4,693 1,697 1,699 4,702 1,704 7,705 4,709 7,711 18,722 1,724 1,729 1,731 39,733 18,734 1,735 25,737 41,738 16,739 14,740 2,741 4,746 3,747 3,752 1,761 14,762 2,777 1,778 1,781 16,782 7,783 3,784 7,790 6,794 1,795 1,805 1,812 3,840 3,844 2,848 23,849 1,855 1,856 1,870 2.6,875 1,877 11.833,878 7.633,879 5.139,880 2.069,881 3.491,882 1.506,883 0.989,884 4.352,885 10.395,886 3.555,887 4.167,888 4.725,889 5.306,890 5.865,891 6.023,892 6.352,893 6.762,894 7.08,895 7.355,896 1,897 34,898 8.383,900 3.421,901 7.746,902 15.763,904 12.184,905 2.246,906 51.667,910 153.024,911 105.682,912 118.05,914 11,917 105.682,918 164.024,919 118.05,920 19.708,922 89.755,923 78.913,924 51.413,925 6.714,926 141.253,928 153.024,929 223.732,930 11,933 157.68,934 11,937 37.782,938 114.151,939 67.142,941 153.024,942 129.05,943 105.682,946 153.024,947 20.069,948 85.613,949 18.011,950 111.039,951 153.024,952 129.05,953 105.682,955 0.573,956 0.329,957 0.182,958 0.101,959 16,960 7,961 0.098,962 4,964 1,965 3.512,966 180.628,968 18,969 104.042,974 15.192,975 6.588,976 3.551,978 129.05,979 13.082,980 16.752,984 4.382,986 50.908,987 387.756,988 34,999 39.356,1000 44.275,1001 0.304,1002 0.683,1003 0.85,1004 0.925,1005 0.944,1006 0.944,1007 4.758,1008 1.058,1009 5.58,1010 3.238,1011 4.234,1012 4.852,1013 1.029,1014 6.347,1015 4.119,1016 5.966,1017 1,1018 7.107,1019 2.697,1020 3.761,1021 4.559,1023 7.14,1024 3.589,1025 7.261,1026 0.593,1027 8.73,1028 2.275,1029 5.784,1030 7.036,1031 0.763,1032 10.219,1033 5.564,1034 8.589,1035 0.086,1036 10.408,1037 1.029,1038 6.089,1039 7.499,1041 11.844,1042 5.818,1043 9.944,1044 -0.347,1045 12.123,1046 0.182,1047 7.589,1048 9.459,1049 0.597,1050 14.445,1051 7.282,1052 11.318,1053 -0.387,1054 13.866,1055 -0.891,1056 8.281,1057 10.312,1059 16.455,1060 7.933,1061 12.709,1062 -0.551,1063 15.629,1064 -0.9,1065 9.551,1066 12.016,1067 0.47,1068 18.883,1069 9.17,1070 3.063,1071 -0.792,1072 17.409,1073 -1.249,1074 10.443,1075 13.092,1077 21.072,1078 10.028,1079 2.678,1080 10.307,1081 19.204,1082 -1.901,1083 11.61,1084 14.656,1085 0.367,1086 23.436,1087 11.165,1088 2.53,1089 7.678,1090 21.011,1091 4.103,1092 12.606,1093 15.862,1095 25.705,1096 12.13,1097 2.168,1098 7.131,1099 22.828,1100 3.663,1101 13.729,1102 17.349,1103 0.283,1104 28.047,1105 13.224,1106 1.879,1107 6.33,1108 24.654,1109 3.524,1110 14.779,1111 18.633,1113 30.351,1114 14.243,1115 1.825,1116 5.273,1117 26.488,1118 2.765,1119 15.887,1120 20.077,1121 0.217,1122 32.686,1123 15.323,1124 1.421,1125 4.963,1126 28.328,1127 2.504,1128 16.964,1129 21.407,1131 35.006,1132 16.37,1133 5327,1134 9247,1135 16.701,1136 26.296,1137 36.847,1138 37.031,1139 37.841,1140 36.588,1141 36.603,1142 49.808,1143 2.52,1144 102.207,1145 34.472,1146 5.205,1147 5.127,1148 6.208,1149 5.126,1150 5.063,1151 7.103,1152 1.72,1153 17.19,1154 4.957,1155 10.623,1156 1.474,1157 1.481,1158 1.514,1159 1.464,1160 1.464,1161 1.992,1162 0.101,1163 4.088,1164 1.379,1165 4.002,1166 4.042,1167 3.964,1168 3.9,1169 5.257,1170 3.909,1171 3.842,1172 3.885,1173 3.8,1174 3.711,1175 4.99,1176 3.724,1177 3.712,1178 3.766,1179 3.657,1180 3.521,1181 4.794,1182 3.553,1183 3.274,1184 3.336,1185 3.129,1186 3.002,1187 4.625,1188 3.021,1189 3.172,1190 3.278,1191 2.994,1192 2.954,1193 4.405,1194 2.949,1195 3.008,1196 3.092,1197 2.888,1198 2.805,1199 4.011,1200 2.811,1201 2.96,1202 3.045,1203 2.811,1204 2.774,1205 3.937,1206 2.776,1207 2.773,1208 2.854,1209 2.627,1210 2.617,1211 3.773,1212 2.606,1213 0.177,1214 0.125,1215 0.261,1216 0.161,1217 0.123,1218 4.422,1219 0.164,1220 3.127,1221 0.034,1222 6.526,1223 0.412,1224 4.026,1225 0.118,1226 3.063,1227 4.103,1228 0.86,1229 10.307,1230 2.957,1231 1.942,1232 1.911,1233 2.029,1234 2.066,1235 1.12,1236 2.053,1237 1.787,1238 1.753,1239 1.889,1240 1.952,1241 0.923,1242 1.929,1243 1.635,1244 1.574,1245 1.778,1246 1.838,1247 0.776,1248 1.827,1249 1.207,1250 1.138,1251 1.57,1252 1.521,1253 0.575,1254 1.536,1255 1.151,1256 1.06,1257 1.444,1258 1.443,1259 0.365,1260 1.461,1261 0.975,1262 0.9,1263 1.207,1264 1.218,1265 0.258,1266 1.222,1267 0.925,1268 0.853,1269 1.172,1270 1.176,1271 0.125,1272 1.181,1273 0.771,1274 0.701,1275 1.056,1276 0.99,1277 0.044,1278 1.018,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.952,1289 3.364,1293 5.725,1296 3.302,1297 5.059,1305 25.477,1306 62.621,1307 140.705,1308 175.111,1309 190.621,1310 194.621,1311 194.621,1312 26.068,1313 6.905,1314 98.84,1315 98.84,1316 18,1317 12.2,1318 4.248,1319 3.322,1320 36.736,1321 75,1322 91,1323 0.237,1324 160.483,1325 266.61,1326 383.339,1327 8751,1329 16.234,1330 0.706,1331 0.557,1332 16.234,1333 12.816,1334 11.152,1335 0.446,1336 0.28,1337 6.872,1338 10.635,1339 6.659,1340 5.599,1341 11.152,1342 7.001,1343 9.917,1344 0.292,1345 0.142,1346 9.917,1347 4.824,1348 7.968,1349 0.185,1350 0.073,1351 7.968,1352 3.157,1353 6.812,1354 0.122,1355 0.038,1356 6.812,1357 2.141,1358 5.35,1359 0.076,1360 0.02,1361 5.35,1362 1.375,1363 0.366,1364 70.404,1365 0.245,1366 22.448,1367 0.667,1368 118,1369 367.961,1370 132.229,1371 359.638,1372 500.11,1373 338,1374 136,1375 379.56,1376 149.177,1377 385.791,1378 557.99,1379 361,1380 6.194}
{0 CHEMBL2165047,1 1.646,2 9.478,3 1.067,4 1.139,5 82.537,6 8.141,7 0.72,8 3.768,9 3.899,10 3.406,11 3.231,12 5.01,13 3.26,14 4.217,15 4.397,16 3.731,17 3.542,18 5.463,19 3.558,20 4.319,21 4.507,22 3.738,23 3.636,24 5.491,25 3.638,26 4.366,27 4.568,28 3.666,29 3.65,30 5.5,31 3.614,32 4.409,33 4.631,34 3.639,35 3.674,36 5.527,37 3.621,38 4.407,39 4.644,40 3.615,41 3.61,42 5.505,43 3.554,44 4.328,45 4.58,46 3.406,47 3.438,48 5.455,49 3.38,50 4.162,51 4.442,52 3.172,53 3.22,54 5.147,55 3.145,56 0.085,57 0.635,58 6.671,59 2.606,60 9.119,61 3.404,62 0.34,63 0.908,64 12.734,65 4.245,66 27.789,67 5.687,68 0.301,69 1.011,70 13.705,71 4.151,72 23.558,73 5.7,74 0.308,75 1.014,76 15.031,77 5.053,78 25.63,79 7.008,80 0.344,81 1.041,82 16.227,83 5.193,84 31.328,85 7.53,86 0.293,87 0.995,88 17.191,89 5.657,90 28.012,91 8.341,92 0.391,93 0.877,94 16.243,95 4.283,96 36.311,97 6.385,98 0.311,99 0.656,100 15.709,101 4.419,102 28.234,103 6.766,104 11,105 34,106 0.293,107 0.659,108 0.827,109 0.871,110 0.881,111 0.881,112 3.189,113 0.822,114 -3.39,115 -3.37,116 -3.23,119 39.5,120 1,124 1,142 3,143 1,144 2,145 3,147 1,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 7,177 2,178 2,180 2,187 5,190 2,192 2,199 2,201 1,202 3,204 2,207 2,209 2,211 2,212 3,215 1,217 1,220 3,222 1,223 1,224 4,227 1,228 1,229 1,231 1,232 1,236 3,237 4,239 1,240 1,249 1,250 2,255 1,258 1,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 751,276 15.61,277 15.61,278 15.61,279 15.61,280 15.61,281 13.397,282 19.388,283 9.297,284 16.205,285 12.309,286 12.309,287 12.309,288 12.309,289 12.309,290 9.019,291 28.039,292 4.381,293 13.188,294 3.602,295 1.55,296 0.606,297 0.356,298 0.303,299 0.303,300 3.871,304 1,305 1,306 463,307 2.345,311 215.623,318 1.456,319 19.582,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.5,331 218,332 4.422,333 3.127,334 6.526,335 4.024,336 3.063,337 4.103,338 0.86,339 10.307,340 2.949,341 4.062,342 2.877,343 5.606,344 3.614,345 2.678,346 3.663,347 0.4,348 7.678,349 2.509,350 3.937,351 2.723,352 5.425,353 3.459,354 2.53,355 3.524,357 7.131,358 2.346,359 3.475,360 2.408,361 5.143,362 3.093,363 2.168,364 2.765,366 6.33,367 1.992,368 3.232,369 2.086,370 4.839,371 2.798,372 1.879,373 2.504,375 5.273,376 1.728,377 3.225,378 1.9,379 4.618,380 2.76,381 1.825,382 2.481,384 4.963,385 1.699,386 2.864,387 1.482,388 3.957,389 2.372,390 1.421,391 2.02,393 3.238,394 1.349,395 2.55,396 1.112,397 3.593,398 1.998,399 1.058,400 1.575,402 2.697,403 0.991,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.757,414 1,415 3,416 1.454,417 0.593,418 0.666,420 1.029,421 0.507,422 1.335,423 0.319,424 2.681,425 1.002,426 0.086,427 0.104,428 0.182,429 0.078,430 1,431 -0.126,432 2.527,433 0.573,434 -0.347,435 -0.445,436 -0.891,437 -0.317,438 0.958,439 -0.21,440 2.382,441 0.534,442 -0.387,443 -0.496,445 -0.9,446 -0.356,447 0.772,448 -0.28,449 2,450 0.373,451 -0.551,452 -0.665,454 -1.249,455 -0.506,456 0.601,457 -0.648,458 2,459 0.155,460 -0.792,461 -1.022,463 -1.901,464 -0.749,465 10.633,466 0.462,467 0.52,468 0.023,469 35.75,470 1.554,471 19.5,472 0.848,473 16.25,474 0.707,475 13.588,476 0.591,477 24.167,478 0.636,479 24.555,480 1.068,481 7.24,482 0.315,483 3.912,484 0.17,485 0.132,487 0.329,493 1.029,494 1.515,495 0.732,496 1.13,497 1.105,498 0.907,499 0.97,500 0.99,501 0.725,502 0.831,503 0.67,504 0.763,505 1.225,506 1.122,507 1.03,508 0.942,509 1.096,510 0.932,511 0.98,512 1.113,513 1.047,514 1.095,515 0.918,516 1.087,517 0.813,518 1.018,519 1.063,520 1.03,521 1.082,522 1.07,523 0.69,524 1.16,525 0.856,526 1.115,527 0.719,528 1.037,529 1.111,530 0.862,531 1.215,532 0.977,533 1.235,534 1.074,535 0.918,536 0.821,537 0.787,538 0.795,539 0.801,540 0.771,541 5,542 0.095,543 2,544 1.438,545 1.138,546 0.743,547 0.363,548 0.323,549 0.217,550 0.108,551 5423,552 16704,553 2.067,554 39.5,556 6,558 3,559 3,560 3,564 1.659,565 1.944,566 3.215,567 1.118,568 1,569 1,571 1,573 62.563,574 1.646,575 3.698,576 4.642,577 4.892,578 4.945,579 4.945,580 2.682,581 4.002,582 4.494,583 3.356,584 849.152,585 7.75,586 9594.39,587 1,588 1,591 199.421,592 1.371,593 4.458,594 0.2,595 0.012,596 0.059,597 0.042,598 0.037,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.421,605 0.33,606 1,607 0.777,608 107.142,609 -0.157,610 -0.321,611 0.036,612 -0.12,613 -0.243,614 -0.017,615 0.142,616 0.094,617 0.171,618 0.138,619 0.26,620 0.144,621 -0.245,622 0.001,623 -0.162,624 -0.007,625 -0.234,626 -0.052,627 -0.096,628 -0.059,629 -0.15,630 -0.112,631 -0.063,632 -0.142,633 -0.04,634 0.025,635 -0.151,636 -0.055,637 -0.165,638 -0.11,639 0.095,640 -0.199,641 0.108,642 -0.11,643 0.164,644 -0.023,645 -0.135,646 0.13,647 -0.223,648 -0.076,649 -0.184,650 -0.145,651 0.076,652 -0.002,653 0.307,654 0.209,655 0.188,656 0.295,657 1.485,658 1.709,659 0.783,660 17.58,661 1.015,662 1.141,663 2.16,664 4.666,665 0.672,666 3.258,667 3.555,668 3.784,669 4.043,670 4.263,671 4.277,672 4.304,673 4.407,674 4.419,675 4.394,676 5.608,677 0.657,678 309.37,679 3.258,680 4.779,681 5.609,682 6.475,683 7.323,684 8.195,685 9.05,686 9.924,687 10.782,688 11.658,689 18.4,693 1,697 1,699 5,702 1,704 6,705 5,709 7,711 18,722 1,724 1,729 1,731 38,733 18,735 25,737 40,738 15,739 13,746 3,747 3,752 1,761 13,762 2,777 1,778 1,781 15,782 8,783 3,784 8,790 7,794 1,795 1,805 2,812 3,840 3,844 2,848 23,849 1,855 1,856 1,870 2.6,875 1,877 11.833,878 7.5,879 5.139,880 1.981,881 3.491,882 1.506,883 0.985,884 4.306,885 10.395,886 3.555,887 4.167,888 4.725,889 5.306,890 5.865,891 6.023,892 6.352,893 6.762,894 7.08,895 7.355,896 1,897 34,898 8.37,900 3.415,901 7.79,902 15.633,904 12.001,905 2.29,906 52.667,910 141.253,911 95.348,912 134.836,914 11,917 95.348,918 152.253,919 134.836,920 19.708,922 61.326,923 119.241,924 69.508,925 6.714,926 105.94,928 141.253,929 230.183,930 11,933 145.909,934 11,937 55.877,938 85.723,939 83.928,941 141.253,942 145.835,943 95.348,946 141.253,947 20.069,948 75.279,949 18.011,950 127.825,951 141.253,952 145.835,953 95.348,955 0.573,956 0.329,957 0.182,958 0.101,959 16,960 7,961 0.1,962 4,964 1,965 3.512,966 180.628,968 18,969 100.042,974 15.129,975 6.547,976 3.524,978 145.835,979 10.464,980 20.796,984 4.072,986 50.908,987 382.437,988 34,999 38.574,1000 43.358,1001 0.314,1002 0.705,1003 0.885,1004 0.932,1005 0.942,1006 0.942,1007 4.758,1008 1.058,1009 5.58,1010 3.238,1011 4.234,1012 4.852,1013 1.029,1014 6.347,1015 4.107,1016 5.966,1017 1,1018 7.107,1019 2.697,1020 3.761,1021 4.559,1023 7.14,1024 3.589,1025 7.261,1026 0.593,1027 8.73,1028 2.275,1029 5.784,1030 7.036,1031 0.763,1032 10.219,1033 5.546,1034 8.589,1035 0.086,1036 10.408,1037 1.029,1038 6.089,1039 7.499,1041 11.844,1042 5.816,1043 9.944,1044 -0.347,1045 12.123,1046 0.182,1047 7.589,1048 9.459,1049 0.597,1050 14.445,1051 7.261,1052 11.318,1053 -0.387,1054 13.866,1055 -0.891,1056 8.281,1057 10.312,1059 16.455,1060 7.925,1061 12.709,1062 -0.551,1063 15.629,1064 -0.9,1065 9.551,1066 12.016,1067 0.47,1068 18.883,1069 9.148,1070 3.063,1071 -0.792,1072 17.409,1073 -1.249,1074 10.443,1075 13.092,1077 21.072,1078 10.013,1079 2.678,1080 10.307,1081 19.204,1082 -1.901,1083 11.61,1084 14.656,1085 0.367,1086 23.436,1087 11.14,1088 2.53,1089 7.678,1090 21.011,1091 4.103,1092 12.606,1093 15.862,1095 25.705,1096 12.108,1097 2.168,1098 7.131,1099 22.828,1100 3.663,1101 13.729,1102 17.349,1103 0.283,1104 28.047,1105 13.195,1106 1.879,1107 6.33,1108 24.654,1109 3.524,1110 14.779,1111 18.633,1113 30.351,1114 14.215,1115 1.825,1116 5.273,1117 26.488,1118 2.765,1119 15.887,1120 20.077,1121 0.217,1122 32.686,1123 15.289,1124 1.421,1125 4.963,1126 28.328,1127 2.504,1128 16.964,1129 21.407,1131 35.006,1132 16.336,1133 5327,1134 9477,1135 16.701,1136 25.54,1137 36.847,1138 37.031,1139 37.841,1140 36.564,1141 36.603,1142 49.808,1143 2.52,1144 102.207,1145 34.211,1146 5.205,1147 5.127,1148 6.208,1149 5.124,1150 5.063,1151 7.103,1152 1.72,1153 17.19,1154 4.891,1155 10.623,1156 1.474,1157 1.481,1158 1.514,1159 1.463,1160 1.464,1161 1.992,1162 0.101,1163 4.088,1164 1.368,1165 3.989,1166 4.035,1167 3.957,1168 3.856,1169 5.259,1170 3.875,1171 3.841,1172 3.885,1173 3.8,1174 3.7,1175 4.998,1176 3.717,1177 3.69,1178 3.75,1179 3.642,1180 3.486,1181 4.88,1182 3.52,1183 3.271,1184 3.334,1185 3.125,1186 2.994,1187 4.677,1188 3.014,1189 3.17,1190 3.278,1191 2.992,1192 2.93,1193 4.418,1194 2.931,1195 2.984,1196 3.072,1197 2.85,1198 2.794,1199 4.053,1200 2.787,1201 2.93,1202 3.027,1203 2.81,1204 2.671,1205 3.945,1206 2.705,1207 2.772,1208 2.854,1209 2.627,1210 2.617,1211 3.775,1212 2.606,1213 0.177,1214 0.125,1215 0.261,1216 0.161,1217 0.123,1218 4.422,1219 0.164,1220 3.127,1221 0.034,1222 6.526,1223 0.412,1224 4.024,1225 0.118,1226 3.063,1227 4.103,1228 0.86,1229 10.307,1230 2.949,1231 1.905,1232 1.869,1233 1.98,1234 2.06,1235 1.044,1236 2.037,1237 1.779,1238 1.744,1239 1.876,1240 1.951,1241 0.906,1242 1.928,1243 1.604,1244 1.542,1245 1.754,1246 1.823,1247 0.762,1248 1.803,1249 1.205,1250 1.135,1251 1.569,1252 1.52,1253 0.574,1254 1.534,1255 1.14,1256 1.042,1257 1.432,1258 1.442,1259 0.262,1260 1.459,1261 0.963,1262 0.889,1263 1.205,1264 1.2,1265 0.252,1266 1.206,1267 0.837,1268 0.75,1269 1.08,1270 1.16,1271 0.104,1272 1.149,1273 0.771,1274 0.701,1275 1.056,1276 0.989,1278 1.016,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.952,1289 3.339,1293 5.709,1296 3.239,1297 5.047,1305 24.972,1306 62.563,1307 140.527,1308 176.402,1309 185.911,1310 187.911,1311 187.911,1312 26.26,1313 6.905,1314 111.73,1315 111.73,1316 18,1317 12.2,1318 4.248,1319 3.322,1320 36.736,1321 75,1322 91,1323 0.237,1324 157.685,1325 260.31,1326 376.512,1327 8751,1329 16.234,1330 0.706,1331 0.552,1332 16.234,1333 12.686,1334 11.152,1335 0.446,1336 0.274,1337 6.705,1338 10.56,1339 6.505,1340 5.465,1341 11.152,1342 6.851,1343 9.917,1344 0.292,1345 0.138,1346 9.917,1347 4.7,1348 7.968,1349 0.185,1350 0.071,1351 7.968,1352 3.051,1353 6.812,1354 0.122,1355 0.036,1356 6.812,1357 2.043,1358 5.35,1359 0.076,1360 0.018,1361 5.35,1362 1.28,1363 0.366,1364 70.904,1365 0.245,1366 22.448,1367 0.667,1368 118,1369 387.606,1370 133.617,1371 376.878,1372 521.51,1373 354,1374 136,1375 393.672,1376 150.703,1377 399.435,1378 576.59,1379 373,1380 6.208}
{0 CHEMBL2165048,1 1.646,2 9.478,3 1.496,4 2.238,5 82.165,6 8.141,7 0.72,8 3.768,9 3.899,10 3.406,11 3.231,12 5.008,13 3.26,14 4.217,15 4.396,16 3.734,17 3.535,18 5.467,19 3.553,20 4.323,21 4.517,22 3.745,23 3.618,24 5.515,25 3.623,26 4.342,27 4.542,28 3.665,29 3.624,30 5.485,31 3.595,32 4.388,33 4.607,34 3.641,35 3.651,36 5.528,37 3.606,38 4.401,39 4.643,40 3.605,41 3.6,42 5.499,43 3.551,44 4.287,45 4.518,46 3.392,47 3.466,48 5.408,49 3.407,50 4.199,51 4.472,52 3.181,53 3.281,54 5.17,55 3.187,56 0.085,57 0.635,58 6.671,59 2.606,60 9.013,61 3.404,62 0.333,63 0.909,64 12.689,65 4.235,66 27.205,67 5.699,68 0.342,69 1.009,70 14.029,71 4.114,72 26.622,73 5.671,74 0.298,75 0.996,76 14.604,77 4.851,78 24.539,79 6.75,80 0.339,81 1.028,82 15.737,83 4.92,84 31.849,85 7.157,86 0.335,87 0.986,88 17.387,89 5.337,90 30.736,91 7.896,92 0.326,93 0.87,94 14.647,95 4.168,96 29.784,97 6.011,98 0.286,99 0.682,100 15.987,101 4.951,102 27.187,103 7.457,104 11,105 34,106 0.293,107 0.656,108 0.824,109 0.871,110 0.881,111 0.881,112 3.189,113 0.823,114 -3.39,115 -3.37,116 -3.23,119 39.5,120 1,124 1,142 4,144 2,145 2,146 1,147 1,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 5,177 2,178 2,180 2,186 2,187 3,190 2,192 2,199 3,201 1,202 3,204 1,207 1,209 1,211 1,212 5,214 1,215 2,220 2,223 1,224 5,227 1,228 1,229 2,231 1,232 2,234 1,236 2,237 4,242 1,245 1,247 1,249 1,250 2,255 1,258 1,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 751,276 15.61,277 15.61,278 15.61,279 15.61,280 15.61,281 13.397,282 19.388,283 9.297,284 16.199,285 12.309,286 12.309,287 12.309,288 12.309,289 12.309,290 9.019,291 28.039,292 4.381,293 13.193,294 3.602,295 1.563,296 0.619,297 0.356,298 0.303,299 0.303,300 3.871,303 1,304 1,305 1,306 463,307 2.345,311 215.623,318 1.456,319 19.814,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.5,331 218,332 4.422,333 3.127,334 6.526,335 4.013,336 3.063,337 4.103,338 0.86,339 10.307,340 2.913,341 4.062,342 2.877,343 5.606,344 3.614,345 2.678,346 3.663,347 0.4,348 7.678,349 2.509,350 3.937,351 2.723,352 5.425,353 3.458,354 2.53,355 3.524,357 7.131,358 2.344,359 3.475,360 2.408,361 5.143,362 3.09,363 2.168,364 2.765,366 6.33,367 1.987,368 3.232,369 2.086,370 4.839,371 2.798,372 1.879,373 2.504,375 5.273,376 1.742,377 3.225,378 1.9,379 4.618,380 2.776,381 1.825,382 2.481,384 4.963,385 1.714,386 2.864,387 1.482,388 3.957,389 2.373,390 1.421,391 2.02,393 3.238,394 1.35,395 2.55,396 1.112,397 3.593,398 1.999,399 1.058,400 1.575,402 2.697,403 0.993,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.757,414 1,415 3,416 1.454,417 0.593,418 0.666,420 1.029,421 0.507,422 1.335,423 0.319,424 2.681,425 1.002,426 0.086,427 0.104,428 0.182,429 0.078,430 1,431 -0.126,432 2.527,433 0.573,434 -0.347,435 -0.445,436 -0.891,437 -0.317,438 0.958,439 -0.21,440 2.382,441 0.534,442 -0.387,443 -0.496,445 -0.9,446 -0.356,447 0.772,448 -0.28,449 2,450 0.372,451 -0.551,452 -0.665,454 -1.249,455 -0.506,456 0.601,457 -0.648,458 2,459 0.166,460 -0.792,461 -1.022,463 -1.901,464 -0.755,465 10.633,466 0.462,467 0.52,468 0.023,469 35.75,470 1.554,471 19.5,472 0.848,473 16.25,474 0.707,475 13.566,476 0.59,477 24.167,478 0.636,479 24.578,480 1.069,481 7.241,482 0.315,483 3.912,484 0.17,485 0.132,487 0.329,493 1.029,494 1.515,495 0.732,496 1.13,497 1.117,498 0.907,499 0.954,500 1.058,501 0.715,502 0.877,503 0.661,504 0.788,505 1.181,506 1.016,507 1.004,508 0.882,509 1.064,510 0.89,511 0.987,512 1.16,513 1.019,514 1.099,515 0.904,516 1.072,517 0.851,518 1.063,519 1.068,520 1.037,521 1.097,522 1.07,523 0.817,524 0.999,525 0.887,526 0.947,527 0.781,528 0.929,529 1.186,530 0.986,531 1.319,532 1.102,533 1.329,534 1.194,535 0.772,536 0.911,537 0.799,538 0.961,539 0.754,540 0.906,541 5,542 0.095,543 2,544 1.438,545 1.138,546 0.743,547 0.363,548 0.323,549 0.217,550 0.108,551 5423,552 16576,553 2.067,554 39.5,556 7,558 2,559 3,560 3,564 1.659,565 1.944,566 3.215,567 1.118,568 1,569 1,571 1,573 62.563,574 1.646,575 3.685,576 4.629,577 4.892,578 4.945,579 4.945,580 2.682,581 4.002,582 4.494,583 3.356,584 849.152,585 7.75,586 9594.39,587 1,588 1,590 1,591 199.421,592 1.371,593 4.458,594 0.2,595 0.012,596 0.059,597 0.042,598 0.037,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.421,605 0.33,606 1,607 0.777,608 107.142,609 -0.157,610 -0.321,611 0.036,612 -0.12,613 -0.256,614 -0.017,615 0.159,616 0.025,617 0.182,618 0.09,619 0.27,620 0.118,621 -0.162,622 0.105,623 -0.119,624 0.033,625 -0.164,626 -0.02,627 -0.087,628 -0.101,629 -0.123,630 -0.122,631 -0.039,632 -0.134,633 -0.055,634 -0.008,635 -0.161,636 -0.075,637 -0.159,638 -0.125,639 0.016,640 -0.03,641 0.087,642 0.034,643 0.115,644 0.067,645 -0.256,646 0.045,647 -0.378,648 -0.178,649 -0.333,650 -0.272,651 0.14,652 -0.097,653 0.275,654 0.079,655 0.203,656 0.186,657 1.504,658 1.697,659 0.783,660 17.58,661 1.015,662 1.141,663 2.16,664 4.666,665 0.672,666 3.258,667 3.555,668 3.784,669 4.043,670 4.263,671 4.277,672 4.304,673 4.407,674 4.419,675 4.394,676 5.608,677 0.657,678 309.37,679 3.258,680 4.779,681 5.609,682 6.475,683 7.323,684 8.195,685 9.05,686 9.924,687 10.782,688 11.658,689 18.4,693 1,697 1,699 5,702 1,704 6,705 5,709 7,711 18,722 1,724 1,729 1,731 38,733 18,735 25,737 40,738 15,739 13,746 3,747 3,752 1,761 13,762 2,777 1,778 1,781 15,782 8,783 3,784 8,790 7,794 1,795 1,805 2,812 3,840 3,844 2,848 23,849 1,855 1,856 1,870 2.6,875 1,877 11.833,878 7.5,879 5.139,880 1.992,881 3.491,882 1.506,883 0.985,884 4.306,885 10.395,886 3.555,887 4.167,888 4.725,889 5.306,890 5.865,891 6.023,892 6.352,893 6.762,894 7.08,895 7.355,896 1,897 34,898 8.373,900 3.419,901 7.79,902 15.633,904 11.992,905 2.29,906 52.667,910 141.253,911 95.348,912 134.836,914 11,917 95.348,918 152.253,919 134.836,920 19.708,922 70.802,923 107.47,924 60.032,925 6.714,926 117.711,928 141.253,929 230.183,930 11,933 145.909,934 11,937 49.587,938 92.013,939 83.928,941 141.253,942 145.835,943 95.348,946 141.253,947 19.64,948 75.708,949 18.011,950 127.825,951 141.253,952 145.835,953 95.348,955 0.573,956 0.329,957 0.182,958 0.101,959 16,960 7,961 0.1,962 4,964 1,965 3.512,966 180.628,968 18,969 102.042,974 15.129,975 6.547,976 3.524,978 145.835,979 10.659,980 20.924,984 3.775,986 50.908,987 382.437,988 34,999 38.574,1000 43.358,1001 0.314,1002 0.702,1003 0.882,1004 0.932,1005 0.942,1006 0.942,1007 4.758,1008 1.058,1009 5.58,1010 3.238,1011 4.234,1012 4.852,1013 1.029,1014 6.347,1015 4.103,1016 5.966,1017 1,1018 7.107,1019 2.697,1020 3.761,1021 4.559,1023 7.14,1024 3.573,1025 7.261,1026 0.593,1027 8.73,1028 2.275,1029 5.784,1030 7.036,1031 0.763,1032 10.219,1033 5.531,1034 8.589,1035 0.086,1036 10.408,1037 1.029,1038 6.089,1039 7.499,1041 11.844,1042 5.779,1043 9.944,1044 -0.347,1045 12.123,1046 0.182,1047 7.589,1048 9.459,1049 0.597,1050 14.445,1051 7.227,1052 11.318,1053 -0.387,1054 13.866,1055 -0.891,1056 8.281,1057 10.312,1059 16.455,1060 7.866,1061 12.709,1062 -0.551,1063 15.629,1064 -0.9,1065 9.551,1066 12.016,1067 0.47,1068 18.883,1069 9.087,1070 3.063,1071 -0.792,1072 17.409,1073 -1.249,1074 10.443,1075 13.092,1077 21.072,1078 9.93,1079 2.678,1080 10.307,1081 19.204,1082 -1.901,1083 11.61,1084 14.656,1085 0.367,1086 23.436,1087 11.05,1088 2.53,1089 7.678,1090 21.011,1091 4.103,1092 12.606,1093 15.862,1095 25.705,1096 11.998,1097 2.168,1098 7.131,1099 22.828,1100 3.663,1101 13.729,1102 17.349,1103 0.283,1104 28.047,1105 13.076,1106 1.879,1107 6.33,1108 24.654,1109 3.524,1110 14.779,1111 18.633,1113 30.351,1114 14.078,1115 1.825,1116 5.273,1117 26.488,1118 2.765,1119 15.887,1120 20.077,1121 0.217,1122 32.686,1123 15.14,1124 1.421,1125 4.963,1126 28.328,1127 2.504,1128 16.964,1129 21.407,1131 35.006,1132 16.17,1133 5327,1134 9447,1135 16.701,1136 25.54,1137 36.847,1138 37.031,1139 37.841,1140 36.568,1141 36.603,1142 49.808,1143 2.52,1144 102.207,1145 34.185,1146 5.205,1147 5.127,1148 6.208,1149 5.113,1150 5.063,1151 7.103,1152 1.72,1153 17.19,1154 4.858,1155 10.623,1156 1.474,1157 1.481,1158 1.514,1159 1.463,1160 1.464,1161 1.992,1162 0.101,1163 4.088,1164 1.367,1165 3.986,1166 4.033,1167 3.954,1168 3.847,1169 5.262,1170 3.866,1171 3.839,1172 3.884,1173 3.799,1174 3.694,1175 4.997,1176 3.712,1177 3.699,1178 3.756,1179 3.647,1180 3.51,1181 4.878,1182 3.54,1183 3.271,1184 3.334,1185 3.125,1186 2.997,1187 4.654,1188 3.015,1189 3.172,1190 3.278,1191 2.994,1192 2.95,1193 4.418,1194 2.947,1195 3.007,1196 3.09,1197 2.887,1198 2.802,1199 4.012,1200 2.811,1201 2.922,1202 3.019,1203 2.783,1204 2.689,1205 3.983,1206 2.7,1207 2.763,1208 2.849,1209 2.624,1210 2.562,1211 3.793,1212 2.57,1213 0.177,1214 0.125,1215 0.261,1216 0.161,1217 0.123,1218 4.422,1219 0.164,1220 3.127,1221 0.034,1222 6.526,1223 0.412,1224 4.013,1225 0.117,1226 3.063,1227 4.103,1228 0.86,1229 10.307,1230 2.913,1231 1.898,1232 1.86,1233 1.978,1234 2.058,1235 1.027,1236 2.034,1237 1.774,1238 1.738,1239 1.872,1240 1.951,1241 0.896,1242 1.926,1243 1.624,1244 1.564,1245 1.77,1246 1.828,1247 0.772,1248 1.814,1249 1.205,1250 1.135,1251 1.569,1252 1.52,1253 0.574,1254 1.534,1255 1.151,1256 1.059,1257 1.444,1258 1.443,1259 0.361,1260 1.461,1261 0.969,1262 0.893,1263 1.197,1264 1.215,1265 0.205,1266 1.218,1267 0.853,1268 0.773,1269 1.099,1270 1.154,1271 0.055,1272 1.146,1273 0.734,1274 0.652,1275 1.011,1276 0.984,1278 1.003,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.952,1289 3.327,1293 5.697,1296 3.239,1297 5.047,1305 24.972,1306 62.563,1307 140.037,1308 175.911,1309 185.911,1310 187.911,1311 187.911,1312 26.242,1313 6.905,1314 111.73,1315 111.73,1316 18,1317 12.2,1318 4.248,1319 3.322,1320 36.736,1321 75,1322 91,1323 0.237,1324 157.685,1325 260.31,1326 376.512,1327 8751,1329 16.234,1330 0.706,1331 0.552,1332 16.234,1333 12.686,1334 11.152,1335 0.446,1336 0.274,1337 6.716,1338 10.568,1339 6.519,1340 5.477,1341 11.152,1342 6.861,1343 9.917,1344 0.292,1345 0.138,1346 9.917,1347 4.678,1348 7.968,1349 0.185,1350 0.07,1351 7.968,1352 3.009,1353 6.812,1354 0.122,1355 0.036,1356 6.812,1357 2.023,1358 5.35,1359 0.076,1360 0.018,1361 5.35,1362 1.269,1363 0.366,1364 70.858,1365 0.245,1366 22.448,1367 0.667,1368 118,1369 387.606,1370 133.95,1371 376.753,1372 522.47,1373 354,1374 136,1375 396.024,1376 151.258,1377 400.984,1378 580.49,1379 375,1380 5.886}
{0 CHEMBL2165049,1 1.68,2 9.478,3 0.978,4 0.957,5 81.704,6 8.388,7 0.72,8 3.754,9 3.886,10 3.414,11 3.186,12 5.021,13 3.231,14 4.199,15 4.384,16 3.74,17 3.49,18 5.482,19 3.523,20 4.273,21 4.454,22 3.742,23 3.571,24 5.48,25 3.595,26 4.332,27 4.538,28 3.684,29 3.58,30 5.539,31 3.563,32 4.352,33 4.571,34 3.64,35 3.599,36 5.491,37 3.567,38 4.349,39 4.581,40 3.632,41 3.524,42 5.537,43 3.494,44 4.291,45 4.558,46 3.391,47 3.356,48 5.431,49 3.328,50 4.003,51 4.235,52 3.174,53 3.172,54 5.07,55 3.122,56 0.113,57 0.632,58 6.128,59 2.325,60 9.384,61 3.044,62 0.406,63 0.885,64 12.216,65 3.849,66 30.484,67 5.134,68 0.309,69 0.971,70 12.182,71 3.494,72 22.558,73 4.838,74 0.425,75 0.969,76 14.059,77 4.529,78 30.97,79 6.161,80 0.346,81 0.979,82 14.742,83 4.507,84 29.471,85 6.677,86 0.369,87 0.933,88 15.568,89 4.87,90 32.222,91 7.203,92 0.513,93 0.801,94 16.158,95 3.255,96 40.466,97 5.144,98 0.204,99 0.605,100 11.357,101 3.717,102 18.564,103 5.427,104 11,105 34,106 0.301,107 0.684,108 0.858,109 0.877,110 0.877,111 0.877,112 3.189,113 0.805,114 -4.02,115 -3.97,116 -3.76,119 37.8,120 1,124 1,142 2,143 1,144 1,145 2,147 2,148 1,149 2,150 1,163 1,164 1,165 1,172 1,174 5,175 8,177 2,178 3,180 2,187 2,190 1,192 1,198 4,199 3,201 1,202 4,204 2,207 2,209 2,211 1,212 2,215 1,220 1,223 2,224 5,226 2,227 3,228 1,229 1,231 1,236 4,237 4,250 1,255 1,258 1,260 1,262 4,263 2,265 1,266 1,268 1,271 1,273 1,275 751,276 15.61,277 15.61,278 15.61,279 15.61,280 15.61,281 13.397,282 19.388,283 9.297,284 16.271,285 12.309,286 12.309,287 12.309,288 12.309,289 12.309,290 9.019,291 28.039,292 4.381,293 13.294,294 3.53,295 1.389,296 0.419,297 0.311,298 0.311,299 0.311,300 3.871,304 1,305 1,306 463,307 2.345,311 215.623,318 1.456,319 21.255,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 51,331 218,332 4.422,333 3.127,334 6.526,335 4.015,336 3.063,337 4.103,338 0.86,339 10.307,340 2.919,341 4.062,342 2.877,343 5.606,344 3.613,345 2.678,346 3.663,347 0.4,348 7.678,349 2.507,350 3.937,351 2.723,352 5.425,353 3.454,354 2.53,355 3.524,357 7.131,358 2.333,359 3.475,360 2.408,361 5.143,362 3.092,363 2.168,364 2.765,366 6.33,367 1.989,368 3.232,369 2.086,370 4.839,371 2.797,372 1.879,373 2.504,375 5.273,376 1.724,377 3.225,378 1.9,379 4.618,380 2.746,381 1.825,382 2.481,384 4.963,385 1.675,386 2.864,387 1.482,388 3.957,389 2.335,390 1.421,391 2.02,393 3.238,394 1.297,395 2.55,396 1.112,397 3.593,398 1.988,399 1.058,400 1.575,402 2.697,403 0.981,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.757,414 1,415 3,416 1.45,417 0.593,418 0.666,420 1.029,421 0.505,422 1.335,423 0.319,424 2.681,425 0.99,426 0.086,427 0.104,428 0.182,429 0.077,430 1,431 -0.126,432 2.527,433 0.573,434 -0.347,435 -0.445,436 -0.891,437 -0.317,438 0.958,439 -0.21,440 2.382,441 0.525,442 -0.387,443 -0.496,445 -0.9,446 -0.353,447 0.772,448 -0.28,449 2,450 0.368,451 -0.551,452 -0.665,454 -1.249,455 -0.504,456 0.601,457 -0.648,458 2,459 0.135,460 -0.792,461 -1.022,463 -1.901,464 -0.73,465 10.533,466 0.458,467 0.52,468 0.023,469 36.25,470 1.576,471 19.5,472 0.848,473 16.75,474 0.728,475 13.307,476 0.579,477 24.267,478 0.656,479 24.837,480 1.08,481 7.317,482 0.318,483 3.835,484 0.167,485 0.133,487 0.332,493 1.049,494 1.633,495 0.709,496 1.188,497 1.101,498 0.916,499 0.945,500 0.885,501 0.701,502 0.761,503 0.679,504 0.709,505 1.271,506 1.337,507 1.007,508 1.027,509 1.123,510 0.954,511 0.897,512 0.866,513 1.037,514 1.003,515 0.864,516 1.048,517 0.827,518 1.194,519 1.001,520 1.093,521 1.074,522 1.073,523 0.67,524 1.128,525 0.853,526 1.14,527 0.68,528 1.059,529 1.297,530 0.619,531 1.236,532 0.617,533 1.314,534 0.83,535 0.876,536 1.216,537 0.906,538 1.264,539 0.847,540 1.124,541 5,542 0.095,543 2,544 1.438,545 1.138,546 0.743,547 0.363,548 0.323,549 0.217,550 0.108,551 5423,552 17384,553 2.067,554 37.8,556 5,558 3,559 3,560 3,564 1.659,565 1.944,566 3.215,567 1.161,569 1,571 1,573 62.144,574 1.68,575 3.821,576 4.79,577 4.898,578 4.898,579 4.898,580 2.682,581 4.002,582 4.494,583 3.356,584 849.152,585 7.75,586 9594.39,587 1,588 1,591 192.75,592 1.371,593 4.458,594 0.2,595 0.012,596 0.059,597 0.042,598 0.037,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.421,605 0.33,606 1,607 0.777,608 107.142,609 -0.189,610 -0.424,611 0.036,612 -0.173,613 -0.255,614 -0.037,615 0.165,616 0.198,617 0.192,618 0.198,619 0.262,620 0.186,621 -0.317,622 -0.21,623 -0.166,624 -0.089,625 -0.273,626 -0.086,627 0.037,628 0.202,629 -0.14,630 -0.046,631 0.026,632 -0.13,633 -0.061,634 -0.159,635 -0.093,636 -0.105,637 -0.161,638 -0.102,639 0.166,640 -0.15,641 0.11,642 -0.152,643 0.241,644 -0.064,645 -0.253,646 0.34,647 -0.205,648 0.234,649 -0.264,650 0.078,651 -0.01,652 -0.305,653 0.086,654 -0.209,655 0.077,656 -0.062,657 1.52,658 1.684,659 0.783,660 17.58,661 1.021,662 1.147,663 2.789,664 7.778,665 0.67,666 3.258,667 3.555,668 3.784,669 4.043,670 4.263,671 4.277,672 4.304,673 4.407,674 4.419,675 4.394,676 5.608,677 0.661,678 310.36,679 3.258,680 4.779,681 5.609,682 6.475,683 7.323,684 8.195,685 9.05,686 9.924,687 10.782,688 11.658,689 21.6,693 1,697 1,699 6,702 1,704 5,705 6,709 7,711 18,722 1,724 1,729 1,731 37,733 18,735 25,737 39,738 14,739 12,746 3,747 3,752 1,761 12,762 2,777 1,778 1,781 14,782 9,783 3,784 9,790 8,794 1,795 1,805 1,806 1,812 3,840 3,844 2,848 23,849 1,855 1,856 1,870 2.7,875 1,877 11.833,878 7.367,879 5.139,880 1.903,881 3.491,882 1.506,883 0.98,884 4.261,885 10.395,886 3.555,887 4.167,888 4.725,889 5.306,890 5.865,891 6.023,892 6.352,893 6.762,894 7.08,895 7.355,896 1,897 34,898 8.358,900 3.41,901 7.833,902 15.503,904 11.808,905 2.333,906 53.667,910 129.482,911 85.014,912 151.621,914 11,917 85.014,918 140.482,919 151.621,920 19.708,922 51.85,923 136.026,924 66.322,925 9.042,926 94.169,928 129.482,929 236.635,930 11,933 134.138,934 11,937 55.448,938 75.818,939 100.713,941 129.482,942 162.621,943 85.014,946 129.482,947 19.64,948 65.374,949 18.011,950 144.61,951 129.482,952 162.621,953 85.014,955 0.573,956 0.329,957 0.182,958 0.101,959 16,960 7,961 0.103,962 4,964 1,965 3.512,966 180.628,968 18,969 104.042,974 15.067,975 6.505,976 3.496,978 162.621,979 8.247,980 24.759,984 3.489,986 50.908,987 377.117,988 34,999 37.793,1000 42.441,1001 0.322,1002 0.733,1003 0.92,1004 0.94,1005 0.94,1006 0.94,1007 4.758,1008 1.058,1009 5.58,1010 3.238,1011 4.234,1012 4.852,1013 1.029,1014 6.347,1015 4.091,1016 5.966,1017 1,1018 7.107,1019 2.697,1020 3.761,1021 4.559,1023 7.14,1024 3.574,1025 7.261,1026 0.593,1027 8.73,1028 2.275,1029 5.784,1030 7.036,1031 0.763,1032 10.219,1033 5.516,1034 8.589,1035 0.086,1036 10.408,1037 1.029,1038 6.089,1039 7.499,1041 11.844,1042 5.785,1043 9.944,1044 -0.347,1045 12.123,1046 0.182,1047 7.589,1048 9.459,1049 0.597,1050 14.445,1051 7.216,1052 11.318,1053 -0.387,1054 13.866,1055 -0.891,1056 8.281,1057 10.312,1059 16.455,1060 7.875,1061 12.709,1062 -0.551,1063 15.629,1064 -0.9,1065 9.551,1066 12.016,1067 0.47,1068 18.883,1069 9.084,1070 3.063,1071 -0.792,1072 17.409,1073 -1.249,1074 10.443,1075 13.092,1077 21.072,1078 9.942,1079 2.678,1080 10.307,1081 19.204,1082 -1.901,1083 11.61,1084 14.656,1085 0.367,1086 23.436,1087 11.056,1088 2.53,1089 7.678,1090 21.011,1091 4.103,1092 12.606,1093 15.862,1095 25.705,1096 12.014,1097 2.168,1098 7.131,1099 22.828,1100 3.663,1101 13.729,1102 17.349,1103 0.283,1104 28.047,1105 13.089,1106 1.879,1107 6.33,1108 24.654,1109 3.524,1110 14.779,1111 18.633,1113 30.351,1114 14.098,1115 1.825,1116 5.273,1117 26.488,1118 2.765,1119 15.887,1120 20.077,1121 0.217,1122 32.686,1123 15.161,1124 1.421,1125 4.963,1126 28.328,1127 2.504,1128 16.964,1129 21.407,1131 35.006,1132 16.196,1133 5327,1134 9677,1135 16.701,1136 24.784,1137 36.847,1138 37.031,1139 37.841,1140 36.548,1141 36.603,1142 49.808,1143 2.52,1144 102.207,1145 33.93,1146 5.205,1147 5.127,1148 6.208,1149 5.115,1150 5.063,1151 7.103,1152 1.72,1153 17.19,1154 4.861,1155 10.623,1156 1.474,1157 1.481,1158 1.514,1159 1.462,1160 1.464,1161 1.992,1162 0.101,1163 4.088,1164 1.357,1165 3.975,1166 4.026,1167 3.947,1168 3.814,1169 5.263,1170 3.84,1171 3.839,1172 3.885,1173 3.8,1174 3.686,1175 5.03,1176 3.708,1177 3.67,1178 3.736,1179 3.628,1180 3.448,1181 4.943,1182 3.485,1183 3.268,1184 3.331,1185 3.121,1186 2.985,1187 4.686,1188 3.004,1189 3.17,1190 3.278,1191 2.992,1192 2.927,1193 4.423,1194 2.93,1195 2.96,1196 3.054,1197 2.857,1198 2.724,1199 4.052,1200 2.738,1201 2.92,1202 3.017,1203 2.774,1204 2.688,1205 4.026,1206 2.7,1207 2.756,1208 2.845,1209 2.621,1210 2.519,1211 3.814,1212 2.54,1213 0.177,1214 0.125,1215 0.261,1216 0.161,1217 0.123,1218 4.422,1219 0.164,1220 3.127,1221 0.034,1222 6.526,1223 0.412,1224 4.015,1225 0.117,1226 3.063,1227 4.103,1228 0.86,1229 10.307,1230 2.919,1231 1.87,1232 1.829,1233 1.944,1234 2.053,1235 0.979,1236 2.021,1237 1.769,1238 1.729,1239 1.856,1240 1.951,1241 0.865,1242 1.926,1243 1.57,1244 1.506,1245 1.716,1246 1.809,1247 0.731,1248 1.779,1249 1.202,1250 1.13,1251 1.568,1252 1.518,1253 0.574,1254 1.533,1255 1.138,1256 1.039,1257 1.426,1258 1.442,1259 0.232,1260 1.459,1261 0.9,1262 0.819,1263 1.14,1264 1.181,1265 0.174,1266 1.172,1267 0.851,1268 0.768,1269 1.095,1270 1.152,1272 1.145,1273 0.703,1274 0.613,1275 0.962,1276 0.98,1278 0.992,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.952,1289 3.303,1293 5.684,1296 3.151,1297 5.033,1305 24.466,1306 62.144,1307 141.366,1308 177.24,1309 181.24,1310 181.24,1311 181.24,1312 26.083,1313 6.905,1314 124.62,1315 124.62,1316 18,1317 12.2,1318 4.248,1319 3.322,1320 36.736,1321 75,1322 91,1323 0.237,1324 154.887,1325 254.01,1326 369.684,1327 8751,1329 16.234,1330 0.706,1331 0.546,1332 16.234,1333 12.556,1334 11.152,1335 0.446,1336 0.268,1337 6.548,1338 10.497,1339 6.362,1340 5.346,1341 11.152,1342 6.711,1343 9.917,1344 0.292,1345 0.134,1346 9.917,1347 4.564,1348 7.968,1349 0.185,1350 0.068,1351 7.968,1352 2.926,1353 6.812,1354 0.122,1355 0.034,1356 6.812,1357 1.928,1358 5.35,1359 0.076,1360 0.017,1361 5.35,1362 1.203,1363 0.366,1364 71.358,1365 0.245,1366 22.448,1367 0.667,1368 118,1369 407.251,1370 135.449,1371 394.259,1372 543.95,1373 370,1374 136,1375 410.137,1376 152.507,1377 415.278,1378 599.77,1379 387,1380 6.921}
{0 CHEMBL2165050,1 1.68,2 9.478,3 0.884,4 0.782,5 80.321,6 8.388,7 0.72,8 3.754,9 3.886,10 3.414,11 3.186,12 5.019,13 3.231,14 4.199,15 4.382,16 3.743,17 3.478,18 5.482,19 3.516,20 4.282,21 4.475,22 3.752,23 3.551,24 5.519,25 3.58,26 4.288,27 4.481,28 3.677,29 3.555,30 5.492,31 3.547,32 4.349,33 4.571,34 3.651,35 3.574,36 5.53,37 3.551,38 4.34,39 4.58,40 3.615,41 3.514,42 5.505,43 3.49,44 4.23,45 4.463,46 3.389,47 3.393,48 5.394,49 3.356,50 4.112,51 4.37,52 3.182,53 3.232,54 5.132,55 3.154,56 0.113,57 0.632,58 6.128,59 2.325,60 9.375,61 3.044,62 0.386,63 0.885,64 12.136,65 3.756,66 28.825,67 5.089,68 0.392,69 0.964,70 12.79,71 3.455,72 28.628,73 4.739,74 0.346,75 0.948,76 12.921,77 4.258,78 25.385,79 5.846,80 0.391,81 0.974,82 14.725,83 4.233,84 33.42,85 6.279,86 0.397,87 0.92,88 15.907,89 4.552,90 33.405,91 6.798,92 0.411,93 0.803,94 13.483,95 3.382,96 31.588,97 4.945,98 0.277,99 0.636,100 13.862,101 4.346,102 24.344,103 6.58,104 11,105 34,106 0.301,107 0.671,108 0.835,109 0.867,110 0.877,111 0.877,112 3.189,113 0.806,114 -3.21,115 -3.2,116 -3.07,119 37.8,120 1,124 1,142 2,144 1,145 3,146 1,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 4,175 4,177 2,178 3,180 1,186 3,187 2,190 2,192 1,198 2,199 2,201 1,202 3,204 1,209 1,211 2,212 3,214 1,215 2,223 2,224 4,226 1,227 2,228 1,229 1,231 1,236 3,237 2,249 1,250 1,255 1,258 1,260 1,262 3,263 2,265 1,266 1,268 1,271 1,273 1,275 751,276 15.61,277 15.61,278 15.61,279 15.61,280 15.61,281 13.397,282 19.388,283 9.297,284 16.265,285 12.309,286 12.309,287 12.309,288 12.309,289 12.309,290 9.019,291 28.039,292 4.381,293 13.299,294 3.53,295 1.463,296 0.548,297 0.365,298 0.311,299 0.311,300 3.871,304 1,305 1,306 463,307 2.345,311 215.623,318 1.456,319 21.695,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 51,331 218,332 4.422,333 3.127,334 6.526,335 4.005,336 3.063,337 4.103,338 0.86,339 10.307,340 2.884,341 4.062,342 2.877,343 5.606,344 3.613,345 2.678,346 3.663,347 0.4,348 7.678,349 2.507,350 3.937,351 2.723,352 5.425,353 3.451,354 2.53,355 3.524,357 7.131,358 2.328,359 3.475,360 2.408,361 5.143,362 3.089,363 2.168,364 2.765,366 6.33,367 1.986,368 3.232,369 2.086,370 4.839,371 2.797,372 1.879,373 2.504,375 5.273,376 1.725,377 3.225,378 1.9,379 4.618,380 2.751,381 1.825,382 2.481,384 4.963,385 1.684,386 2.864,387 1.482,388 3.957,389 2.362,390 1.421,391 2.02,393 3.238,394 1.334,395 2.55,396 1.112,397 3.593,398 1.971,399 1.058,400 1.575,402 2.697,403 0.964,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.757,414 1,415 3,416 1.451,417 0.593,418 0.666,420 1.029,421 0.505,422 1.335,423 0.319,424 2.681,425 0.991,426 0.086,427 0.104,428 0.182,429 0.077,430 1,431 -0.126,432 2.527,433 0.573,434 -0.347,435 -0.445,436 -0.891,437 -0.317,438 0.958,439 -0.21,440 2.382,441 0.526,442 -0.387,443 -0.496,445 -0.9,446 -0.353,447 0.772,448 -0.28,449 2,450 0.365,451 -0.551,452 -0.665,454 -1.249,455 -0.503,456 0.601,457 -0.648,458 2,459 0.15,460 -0.792,461 -1.022,463 -1.901,464 -0.742,465 10.533,466 0.458,467 0.52,468 0.023,469 36.25,470 1.576,471 19.5,472 0.848,473 16.75,474 0.728,475 13.279,476 0.577,477 24.267,478 0.656,479 24.864,480 1.081,481 7.32,482 0.318,483 3.832,484 0.167,485 0.133,487 0.332,493 1.049,494 1.633,495 0.709,496 1.188,497 1.113,498 0.916,499 0.974,500 1.048,501 0.693,502 0.841,503 0.693,504 0.745,505 1.216,506 1.012,507 0.996,508 0.841,509 1.115,510 0.85,511 0.947,512 1.172,513 1.006,514 1.147,515 0.868,516 1.105,517 0.865,518 1.097,519 1.032,520 1.025,521 1.088,522 1.042,523 0.816,524 0.977,525 0.864,526 0.929,527 0.759,528 0.907,529 1.226,530 0.87,531 1.342,532 0.953,533 1.339,534 1.111,535 0.685,536 1.029,537 0.826,538 1.114,539 0.724,540 1.024,541 5,542 0.095,543 2,544 1.438,545 1.138,546 0.743,547 0.363,548 0.323,549 0.217,550 0.108,551 5423,552 17256,553 2.067,554 37.8,556 5,558 3,559 3,560 3,564 1.659,565 1.944,566 3.215,567 1.161,569 1,571 1,573 62.144,574 1.68,575 3.746,576 4.662,577 4.844,578 4.898,579 4.898,580 2.682,581 4.002,582 4.494,583 3.356,584 849.152,585 7.75,586 9594.39,587 1,588 1,591 192.75,592 1.371,593 4.458,594 0.2,595 0.012,596 0.059,597 0.042,598 0.037,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.421,605 0.33,606 1,607 0.777,608 107.142,609 -0.189,610 -0.424,611 0.036,612 -0.173,613 -0.267,614 -0.037,615 0.137,616 0.03,617 0.201,618 0.116,619 0.248,620 0.149,621 -0.194,622 0.112,623 -0.129,624 0.056,625 -0.2,626 -0.006,627 -0.038,628 -0.093,629 -0.133,630 -0.174,632 -0.185,633 -0.044,634 -0.05,635 -0.119,636 -0.076,637 -0.132,638 -0.105,639 0.055,640 -0.004,641 0.114,642 0.038,643 0.167,644 0.077,645 -0.265,646 0.16,647 -0.401,648 -0.051,649 -0.356,650 -0.209,651 0.157,652 -0.182,653 0.227,654 -0.048,655 0.198,656 0.085,657 1.532,658 1.677,659 0.783,660 17.58,661 1.021,662 1.147,663 1.977,664 3.908,665 0.67,666 3.258,667 3.555,668 3.784,669 4.043,670 4.263,671 4.277,672 4.304,673 4.407,674 4.419,675 4.394,676 5.608,677 0.661,678 310.36,679 3.258,680 4.779,681 5.609,682 6.475,683 7.323,684 8.195,685 9.05,686 9.924,687 10.782,688 11.658,689 21.6,693 1,697 1,699 6,702 1,704 5,705 6,709 7,711 18,722 1,724 1,729 1,731 37,733 18,735 25,737 39,738 14,739 12,746 3,747 3,752 1,761 12,762 2,777 1,778 1,781 14,782 9,783 3,784 9,790 8,794 1,795 1,802 1,805 1,812 3,840 3,844 2,848 23,849 1,855 1,856 1,870 2.7,875 1,877 11.833,878 7.367,879 5.139,880 1.914,881 3.491,882 1.506,883 0.98,884 4.261,885 10.395,886 3.555,887 4.167,888 4.725,889 5.306,890 5.865,891 6.023,892 6.352,893 6.762,894 7.08,895 7.355,896 1,897 34,898 8.362,900 3.416,901 7.833,902 15.503,904 11.8,905 2.333,906 53.667,910 129.482,911 85.014,912 151.621,914 11,917 85.014,918 140.482,919 151.621,920 19.708,922 51.85,923 136.026,924 66.322,925 9.042,926 94.169,928 129.482,929 236.635,930 11,933 134.138,934 11,937 58.634,938 72.632,939 100.713,941 129.482,942 162.621,943 85.014,946 129.482,947 19.211,948 65.803,949 18.011,950 144.61,951 129.482,952 162.621,953 85.014,955 0.573,956 0.329,957 0.182,958 0.101,959 16,960 7,961 0.103,962 4,964 1,965 3.512,966 180.628,968 18,969 104.042,974 15.067,975 6.505,976 3.496,978 162.621,979 8.313,980 25.011,984 3.213,986 50.908,987 377.117,988 34,999 37.793,1000 42.441,1001 0.322,1002 0.719,1003 0.895,1004 0.93,1005 0.94,1006 0.94,1007 4.758,1008 1.058,1009 5.58,1010 3.238,1011 4.234,1012 4.852,1013 1.029,1014 6.347,1015 4.087,1016 5.966,1017 1,1018 7.107,1019 2.697,1020 3.761,1021 4.559,1023 7.14,1024 3.557,1025 7.261,1026 0.593,1027 8.73,1028 2.275,1029 5.784,1030 7.036,1031 0.763,1032 10.219,1033 5.5,1034 8.589,1035 0.086,1036 10.408,1037 1.029,1038 6.089,1039 7.499,1041 11.844,1042 5.748,1043 9.944,1044 -0.347,1045 12.123,1046 0.182,1047 7.589,1048 9.459,1049 0.597,1050 14.445,1051 7.181,1052 11.318,1053 -0.387,1054 13.866,1055 -0.891,1056 8.281,1057 10.312,1059 16.455,1060 7.816,1061 12.709,1062 -0.551,1063 15.629,1064 -0.9,1065 9.551,1066 12.016,1067 0.47,1068 18.883,1069 9.024,1070 3.063,1071 -0.792,1072 17.409,1073 -1.249,1074 10.443,1075 13.092,1077 21.072,1078 9.86,1079 2.678,1080 10.307,1081 19.204,1082 -1.901,1083 11.61,1084 14.656,1085 0.367,1086 23.436,1087 10.968,1088 2.53,1089 7.678,1090 21.011,1091 4.103,1092 12.606,1093 15.862,1095 25.705,1096 11.907,1097 2.168,1098 7.131,1099 22.828,1100 3.663,1101 13.729,1102 17.349,1103 0.283,1104 28.047,1105 12.973,1106 1.879,1107 6.33,1108 24.654,1109 3.524,1110 14.779,1111 18.633,1113 30.351,1114 13.965,1115 1.825,1116 5.273,1117 26.488,1118 2.765,1119 15.887,1120 20.077,1121 0.217,1122 32.686,1123 15.015,1124 1.421,1125 4.963,1126 28.328,1127 2.504,1128 16.964,1129 21.407,1131 35.006,1132 16.034,1133 5327,1134 9645,1135 16.701,1136 24.784,1137 36.847,1138 37.031,1139 37.841,1140 36.551,1141 36.603,1142 49.808,1143 2.52,1144 102.207,1145 33.9,1146 5.205,1147 5.127,1148 6.208,1149 5.105,1150 5.063,1151 7.103,1152 1.72,1153 17.19,1154 4.825,1155 10.623,1156 1.474,1157 1.481,1158 1.514,1159 1.462,1160 1.464,1161 1.992,1162 0.101,1163 4.088,1164 1.356,1165 3.971,1166 4.024,1167 3.945,1168 3.802,1169 5.266,1170 3.83,1171 3.838,1172 3.884,1173 3.799,1174 3.676,1175 5.022,1176 3.702,1177 3.676,1178 3.74,1179 3.632,1180 3.462,1181 4.934,1182 3.497,1183 3.271,1184 3.334,1185 3.125,1186 2.996,1187 4.676,1188 3.015,1189 3.171,1190 3.278,1191 2.993,1192 2.944,1193 4.418,1194 2.941,1195 3.005,1196 3.089,1197 2.882,1198 2.802,1199 4.084,1200 2.81,1201 2.9,1202 3.002,1203 2.765,1204 2.672,1205 4.001,1206 2.676,1207 2.757,1208 2.846,1209 2.621,1210 2.509,1211 3.837,1212 2.535,1213 0.177,1214 0.125,1215 0.261,1216 0.16,1217 0.123,1218 4.422,1219 0.164,1220 3.127,1221 0.034,1222 6.526,1223 0.412,1224 4.005,1225 0.115,1226 3.063,1227 4.103,1228 0.86,1229 10.307,1230 2.884,1231 1.862,1232 1.82,1233 1.939,1234 2.051,1235 0.966,1236 2.017,1237 1.763,1238 1.72,1239 1.849,1240 1.951,1241 0.834,1242 1.925,1243 1.583,1244 1.52,1245 1.728,1246 1.814,1247 0.719,1248 1.787,1249 1.204,1250 1.134,1251 1.569,1252 1.519,1253 0.573,1254 1.534,1255 1.147,1256 1.053,1257 1.438,1258 1.442,1259 0.339,1260 1.46,1261 0.968,1262 0.893,1263 1.196,1264 1.214,1265 0.198,1266 1.218,1267 0.834,1268 0.756,1269 1.09,1270 1.141,1271 0.034,1272 1.13,1273 0.701,1274 0.606,1275 0.967,1276 0.981,1278 0.996,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.952,1289 3.294,1293 5.677,1296 3.128,1297 5.031,1305 24.466,1306 62.144,1307 138.611,1308 172.485,1309 179.24,1310 181.24,1311 181.24,1312 26.156,1313 6.905,1314 124.62,1315 124.62,1316 18,1317 12.2,1318 4.248,1319 3.322,1320 36.736,1321 75,1322 91,1323 0.237,1324 154.887,1325 254.01,1326 369.684,1327 8751,1329 16.234,1330 0.706,1331 0.546,1332 16.234,1333 12.556,1334 11.152,1335 0.446,1336 0.269,1337 6.559,1338 10.501,1339 6.378,1340 5.355,1341 11.152,1342 6.721,1343 9.917,1344 0.292,1345 0.133,1346 9.917,1347 4.532,1348 7.968,1349 0.185,1350 0.067,1351 7.968,1352 2.883,1353 6.812,1354 0.122,1355 0.034,1356 6.812,1357 1.913,1358 5.35,1359 0.076,1360 0.017,1361 5.35,1362 1.184,1363 0.366,1364 71.313,1365 0.245,1366 22.448,1367 0.667,1368 118,1369 407.251,1370 135.726,1371 393.867,1372 544.83,1373 370,1374 136,1375 412.489,1376 153.146,1377 416.184,1378 602.95,1379 389,1380 6.284}
{0 CHEMBL2165051,1 1.608,2 8.042,3 3.545,4 12.566,5 87.862,6 8.378,7 0.815,8 3.785,9 3.902,10 3.457,11 3.316,12 5.01,13 3.336,14 4.238,15 4.396,16 3.828,17 3.672,18 5.472,19 3.676,20 4.416,21 4.605,22 3.817,23 3.722,24 5.564,25 3.72,26 4.422,27 4.63,28 3.791,29 3.676,30 5.579,31 3.659,32 4.384,33 4.595,34 3.749,35 3.664,36 5.512,37 3.666,38 4.377,39 4.564,40 3.783,41 3.749,42 5.562,43 3.72,44 4.415,45 4.619,46 3.619,47 3.744,48 5.525,49 3.681,50 4.36,51 4.585,52 3.383,53 3.598,54 5.474,55 3.48,56 0.073,57 0.636,58 6.127,59 2.795,60 8.486,61 3.268,62 0.255,63 0.996,64 10.892,65 4.645,66 16.289,67 5.784,68 0.262,69 1.112,70 14.836,71 4.932,72 26.502,73 6.139,74 0.353,75 1.111,76 15.704,77 5.369,78 27.672,79 7.114,80 0.337,81 1.076,82 15.415,83 4.308,84 29.218,85 5.399,86 0.313,87 1.073,88 13.962,89 5.265,90 25.003,91 6.833,92 0.26,93 1.049,94 15.276,95 5.701,96 24.633,97 7.204,98 0.249,99 0.9,100 15.965,101 6.613,102 30.645,103 9.01,104 5,105 38,106 0.282,107 0.619,108 0.766,109 0.877,110 0.899,111 0.899,112 3.23,113 0.822,114 -4.96,115 -4.87,116 -4.56,119 44.7,120 1,142 8,144 2,146 1,148 1,149 1,150 1,152 1,162 1,172 5,174 6,175 4,178 2,180 4,183 5,187 4,192 2,195 2,198 3,199 10,202 2,203 1,204 4,212 6,217 2,223 1,224 10,227 3,229 1,232 5,237 4,245 8,250 5,253 2,255 2,258 7,263 1,268 2,271 3,275 830,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 18.349,283 9.801,284 16.907,285 13.392,286 13.392,287 13.392,288 13.392,289 13.392,290 9.5,291 26.559,292 4.713,293 14.192,294 3.639,295 1.718,296 0.882,297 0.25,298 0.125,299 0.125,300 3.93,303 1,304 1,305 1,306 423,307 2.236,310 45.52,311 188.534,314 89.747,318 1.132,319 19.37,320 1,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52,331 193,332 4.693,333 3.37,334 6.94,335 4.205,336 3.277,337 4.631,338 0.4,339 11.763,340 3.045,341 4.048,342 2.822,343 5.821,344 3.624,345 2.659,346 3.663,348 7.975,349 2.566,350 4.02,351 2.681,352 5.587,353 3.515,354 2.585,355 3.649,357 7.657,358 2.398,359 3.604,360 2.394,361 5.24,362 3.157,363 2.216,364 3.022,366 6.431,367 2.078,368 3.357,369 2.24,370 4.949,371 2.949,372 2.017,373 2.643,375 5.686,376 1.876,377 3.154,378 1.855,379 4.661,380 2.679,381 1.734,382 2.423,384 4.93,385 1.633,386 2.966,387 1.522,388 4.507,389 2.441,390 1.492,391 2.178,393 4.259,394 1.413,395 2.832,396 1.384,397 3.629,398 2.343,399 1.358,400 1.985,402 2.966,403 1.335,404 2.662,405 1.222,406 3.519,407 2.169,408 1.186,409 1.738,411 2.608,412 1.166,413 2.638,414 1.188,415 3.479,416 2.076,417 1.159,418 1.704,420 2.573,421 1.06,422 1.995,423 0.55,424 3.389,425 1.463,426 0.521,427 0.76,428 1.389,429 0.49,430 1.295,431 0.145,432 2.921,433 0.94,438 0.963,439 -0.057,440 2.478,441 0.543,442 -0.392,443 -0.499,445 -0.873,446 -0.363,447 0.905,448 -0.131,449 2.263,450 0.511,451 -0.418,452 -0.521,454 -0.949,455 -0.384,456 0.778,457 -0.46,458 2,459 0.344,460 -0.596,461 -0.775,463 -1.611,464 -0.556,465 11.233,466 0.468,467 0.554,468 0.023,469 38,470 1.583,471 21,472 0.875,473 17,474 0.708,475 14.32,476 0.597,477 24.167,478 0.636,479 26.097,480 1.087,481 7.575,482 0.316,483 4.129,484 0.172,485 0.074,487 0.347,493 1.01,494 1.412,495 0.7,496 1.005,497 0.988,498 0.837,499 0.554,500 0.922,501 0.707,502 0.959,503 0.555,504 0.883,505 1.33,506 1.288,507 1.011,508 0.988,509 1.153,510 0.94,511 0.846,512 1.112,513 0.903,514 1.014,515 0.705,516 0.975,517 1.513,518 1.008,519 1.05,520 0.667,521 1.112,522 0.727,523 0.744,524 0.993,525 0.942,526 0.952,527 0.604,528 0.967,529 1.111,530 0.892,531 1.22,532 1.038,533 1.033,534 1.113,535 0.568,536 1.013,537 1.073,538 1.317,539 0.736,540 1.304,541 4.5,542 0.025,543 2,544 2.167,545 1.077,546 0.737,547 0.475,548 0.342,549 0.192,550 0.111,551 6030,552 17244,553 2.161,554 36.8,556 8,558 1,559 2,560 3,564 1.677,565 2.057,566 3.036,567 0.337,569 1,571 1,573 61.122,574 1.608,575 3.53,576 4.366,577 4.998,578 5.123,579 5.123,580 2.428,581 4.585,582 4.556,583 3.174,584 875.899,585 7.905,586 10110.9,587 1,588 1,589 1,590 1,591 199.421,592 1.281,593 4.532,594 0.167,595 0.006,596 0.053,597 0.059,598 0.031,599 0.021,600 0.013,601 0.011,602 0.009,603 0.009,604 0.378,605 0.33,606 1,607 0.49,608 111.57,609 -0.147,610 -0.298,611 0.035,612 -0.069,613 -0.195,614 -0.003,615 0.325,616 0.189,617 0.108,618 -0.042,619 0.147,620 -0.027,621 -0.273,622 -0.231,623 -0.102,624 -0.081,625 -0.212,626 -0.061,627 0.158,628 -0.077,629 0.05,630 -0.097,631 0.128,632 -0.061,633 -0.407,634 0.077,635 -0.103,636 0.209,637 -0.226,638 0.14,639 0.1,640 0.06,641 -0.062,642 -0.009,643 0.111,644 -0.053,645 -0.259,646 0.11,647 -0.304,648 -0.065,649 -0.205,650 -0.156,651 0.212,652 -0.151,653 -0.067,654 -0.25,655 0.208,656 -0.218,657 1.487,658 3.653,659 0.875,660 17.951,661 1.012,662 1.128,663 3.733,664 13.936,665 0.698,666 3.332,667 3.664,668 3.951,669 4.29,670 4.533,671 4.635,672 4.787,673 4.956,674 4.963,675 4.997,676 5.21,677 0.683,678 318.37,679 3.332,680 4.875,681 5.733,682 6.627,683 7.507,684 8.412,685 9.303,686 10.214,687 11.112,688 12.026,689 15.8,697 2,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,724 1,728 1,731 38,733 22,734 2,735 27,737 41,738 17,739 16,740 4,741 8,746 4,747 5,752 1,761 16,762 1,777 1,778 1,781 14,782 6,783 2,784 7,787 1,790 6,794 0.75,795 1,811 1,812 3,815 1,840 3,844 1,848 24,853 1,855 1,870 2.6,872 1,877 11.667,878 7.2,879 5.194,880 2.126,881 4.165,882 1.566,883 1.011,884 3.596,885 11.523,886 3.664,887 4.334,888 4.974,889 5.65,890 6.221,891 6.558,892 7.044,893 7.551,894 7.841,895 8.23,896 1,897 37,898 8.779,900 3.735,901 7.757,902 16.55,904 13.373,905 2.257,906 54.167,910 141.253,911 106.425,912 87.052,914 42.683,917 106.425,918 183.937,919 87.052,920 8.825,922 75.81,923 121.597,924 37.656,925 4.043,926 129.482,928 141.253,929 193.477,930 42.683,933 143.581,934 42.683,937 43.296,938 80.711,939 67.142,941 141.253,942 129.735,943 106.425,946 141.253,947 13.171,948 95.153,949 18.011,950 109.825,951 141.253,952 129.735,953 106.425,955 0.579,956 0.333,957 0.195,958 0.111,959 20,960 8,961 0.073,962 3,963 1,964 1.095,965 3.6,966 206,967 0.095,968 21,969 110.039,974 14.608,975 5.909,976 2.829,977 1.698,978 127.836,979 16.071,980 17.319,984 2.573,985 1.827,986 60.694,987 377.413,988 38,999 38.473,1000 42.86,1001 0.306,1002 0.673,1003 0.832,1004 0.952,1005 0.976,1006 0.976,1007 4.879,1008 1.358,1009 5.714,1010 4.259,1011 4.344,1012 5.021,1013 0.278,1014 6.535,1015 4.227,1016 6.108,1017 1.186,1018 7.268,1019 2.966,1020 3.892,1021 4.808,1023 7.438,1024 3.688,1025 7.422,1026 1.159,1027 8.923,1028 2.608,1029 5.932,1030 7.299,1031 0.05,1032 10.596,1033 5.688,1034 8.775,1035 0.521,1036 10.642,1037 2.573,1038 6.312,1039 7.939,1041 12.417,1042 5.968,1043 10.161,1045 12.404,1046 1.389,1047 7.824,1048 9.881,1049 0.008,1050 15.099,1051 7.443,1052 11.573,1053 -0.392,1054 14.2,1056 8.618,1057 10.961,1059 17.315,1060 8.136,1061 13.006,1062 -0.418,1063 16.021,1064 -0.873,1065 9.913,1066 12.659,1067 0.001,1068 19.845,1069 9.384,1070 3.277,1071 -0.596,1072 17.863,1073 -0.949,1074 10.911,1075 13.967,1077 22.217,1078 10.286,1079 2.659,1080 11.763,1081 19.722,1082 -1.611,1083 12.121,1084 15.558,1086 24.7,1087 11.438,1088 2.585,1089 7.975,1090 21.596,1091 4.631,1092 13.215,1093 16.98,1095 27.131,1096 12.443,1097 2.216,1098 7.657,1099 23.481,1100 3.663,1101 14.398,1102 18.529,1104 29.601,1105 13.56,1106 2.017,1107 6.431,1108 25.375,1109 3.649,1110 15.538,1111 20.006,1113 32.053,1114 14.615,1115 1.734,1116 5.686,1117 27.278,1118 3.022,1119 16.714,1120 21.539,1122 34.519,1123 15.72,1124 1.492,1125 4.93,1126 29.187,1127 2.643,1128 17.876,1129 23.043,1131 36.979,1132 16.801,1133 5717,1134 9804,1135 18.493,1136 26.534,1137 40.975,1138 40.306,1139 41.73,1140 40.465,1141 40.413,1142 56.792,1143 0.8,1144 116.477,1145 38.119,1146 5.476,1147 5.37,1148 6.621,1149 5.305,1150 5.277,1151 7.631,1152 0.8,1153 18.951,1154 5.045,1155 8.77,1156 1.518,1157 1.493,1158 1.546,1159 1.499,1160 1.497,1161 2.103,1162 0.03,1163 4.314,1164 1.412,1165 4.135,1166 4.181,1167 4.113,1168 3.997,1169 6.471,1170 4.018,1171 3.882,1172 3.909,1173 3.824,1174 3.806,1175 5.151,1176 3.806,1177 3.765,1178 3.828,1179 3.724,1180 3.556,1181 4.942,1182 3.591,1183 3.393,1184 3.457,1185 3.317,1186 3.212,1187 4.645,1188 3.233,1189 3.102,1190 3.198,1191 2.941,1192 2.885,1193 4.332,1194 2.885,1195 2.972,1196 3.024,1197 2.864,1198 2.776,1199 4.055,1200 2.788,1201 2.911,1202 2.972,1203 2.788,1204 2.764,1205 3.953,1206 2.758,1207 2.896,1208 2.959,1209 2.762,1210 2.745,1211 3.81,1212 2.742,1213 0.174,1214 0.125,1215 0.257,1216 0.156,1217 0.121,1218 4.693,1219 0.172,1220 3.37,1221 0.015,1222 6.94,1223 0.436,1224 4.205,1225 0.113,1226 3.277,1227 4.631,1228 0.4,1229 11.763,1230 3.045,1231 1.924,1232 1.894,1233 2.013,1234 2.057,1235 1.12,1236 2.037,1237 1.878,1238 1.852,1239 1.984,1240 1.987,1241 1.051,1242 1.987,1243 1.695,1244 1.633,1245 1.811,1246 1.907,1247 0.797,1248 1.887,1249 1.36,1250 1.292,1251 1.512,1252 1.614,1253 0.575,1254 1.586,1255 1.086,1256 1,1257 1.335,1258 1.353,1259 0.276,1260 1.37,1261 0.93,1262 0.869,1263 1.156,1264 1.158,1265 0.204,1266 1.142,1267 0.898,1268 0.847,1269 1.125,1270 1.123,1271 0.171,1272 1.127,1273 0.883,1274 0.832,1275 1.098,1276 1.085,1277 0.135,1278 1.103,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.469,1286 7.05,1287 10.131,1289 1.812,1294 9.653,1296 3.212,1305 25.95,1306 61.122,1307 134.137,1308 165.911,1309 189.911,1310 194.666,1311 194.666,1312 27.002,1313 7.358,1314 88.75,1315 88.75,1316 23,1317 12.542,1318 4.524,1319 3.585,1320 33.53,1321 72,1322 73,1323 0.224,1324 159.755,1325 258.01,1326 381.561,1327 14757,1329 16.518,1330 0.688,1331 0.537,1332 16.518,1333 12.879,1334 11.704,1335 0.433,1336 0.274,1337 7.285,1338 11.224,1339 7.124,1340 5.931,1341 11.704,1342 7.401,1343 10.687,1344 0.281,1345 0.139,1346 10.687,1347 5.268,1348 8.814,1349 0.173,1350 0.069,1351 8.814,1352 3.543,1353 7.952,1354 0.11,1355 0.035,1356 7.952,1357 2.499,1358 6.462,1359 0.07,1360 0.018,1361 6.462,1362 1.65,1363 0.338,1364 73.431,1365 0.233,1366 22.896,1367 0.663,1368 130,1369 388.708,1370 145.231,1371 383.524,1372 539.45,1373 360,1374 154,1375 419.073,1376 169.178,1377 423.381,1378 620.91,1379 399,1380 8.699}
{0 CHEMBL2165052,1 1.631,2 8.045,3 1.967,4 3.869,5 79.925,6 8.176,7 0.75,8 3.714,9 3.842,10 3.347,11 3.22,12 4.977,13 3.238,14 4.137,15 4.301,16 3.694,17 3.546,18 5.429,19 3.547,20 4.326,21 4.52,22 3.682,23 3.612,24 5.512,25 3.605,26 4.312,27 4.521,28 3.645,29 3.572,30 5.52,31 3.541,32 4.318,33 4.53,34 3.586,35 3.588,36 5.475,37 3.561,38 4.322,39 4.537,40 3.606,41 3.6,42 5.521,43 3.547,44 4.328,45 4.573,46 3.374,47 3.49,48 5.447,49 3.422,50 4.145,51 4.395,52 3.106,53 3.258,54 5.299,55 3.15,56 0.091,57 0.597,58 6.299,59 2.565,60 12.245,61 3.179,62 0.208,63 0.885,64 10.571,65 4.34,66 19.866,67 5.665,68 0.273,69 0.991,70 14.254,71 4.326,72 30.211,73 5.78,74 0.33,75 0.96,76 14.507,77 4.985,78 30,79 6.864,80 0.299,81 0.965,82 14.718,83 4.347,84 34.832,85 5.922,86 0.287,87 0.956,88 14.823,89 5.448,90 30.556,91 7.606,92 0.306,93 0.888,94 16.176,95 4.739,96 32.66,97 6.689,98 0.291,99 0.672,100 14.358,101 4.878,102 37.156,103 6.944,104 10,105 33,106 0.294,107 0.667,108 0.819,109 0.897,110 0.897,111 0.897,112 3.147,113 0.827,114 -4.14,115 -4.08,116 -3.86,119 41.7,120 1,142 6,143 1,144 2,145 1,147 1,149 2,150 1,163 1,164 1,165 1,172 4,174 3,175 6,177 2,178 3,180 5,183 4,187 3,192 3,195 1,198 2,199 6,201 1,202 3,203 1,204 5,207 3,209 2,212 2,217 1,220 4,222 1,223 1,224 7,226 1,227 3,228 1,229 3,231 1,232 5,234 1,237 2,242 1,245 2,250 4,253 2,255 3,258 3,260 2,263 1,268 1,271 1,273 1,275 640,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.474,282 17.231,283 8.832,284 15.133,285 11.898,286 11.898,287 11.898,288 11.898,289 11.898,290 8.603,291 26.256,292 4.256,293 12.564,294 3.539,295 1.463,296 0.618,297 0.188,298 0.188,299 0.188,300 3.828,303 1,304 1,305 1,306 376,307 2.121,311 200.932,318 1.236,319 21.154,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 48,331 177,332 4.422,333 3.129,334 6.526,335 4.019,336 3.063,337 4.104,338 0.4,339 10.308,340 2.929,341 4.069,342 2.832,343 5.622,344 3.634,345 2.683,346 3.674,348 7.751,349 2.56,350 3.93,351 2.653,352 5.42,353 3.453,354 2.514,355 3.521,357 7.124,358 2.344,359 3.341,360 2.249,361 4.961,362 2.96,363 2.021,364 2.603,366 5.708,367 1.892,368 3.232,369 2.084,370 4.671,371 2.797,372 1.879,373 2.481,375 4.967,376 1.723,377 3.194,378 1.869,379 4.618,380 2.723,381 1.786,382 2.466,384 4.963,385 1.668,386 2.861,387 1.469,388 3.95,389 2.392,390 1.414,391 2.016,393 3.226,394 1.379,395 2.653,396 1.211,397 3.593,398 2.167,399 1.176,400 1.725,402 2.697,403 1.164,404 2.55,405 1.067,406 3.479,407 1.999,408 1.058,409 1.574,411 2.582,412 0.993,413 1.394,414 0.238,415 2.902,416 1.044,417 0.1,418 0.125,420 0.264,421 0.094,422 1,423 -0.057,424 2.612,425 0.574,426 -0.347,427 -0.445,428 -0.879,429 -0.317,430 0.982,431 -0.126,432 2.382,433 0.554,434 -0.382,435 -0.492,436 -0.891,437 -0.354,438 0.886,439 -0.26,440 2,441 0.476,442 -0.446,443 -0.559,445 -1.138,446 -0.408,447 0.715,448 -0.457,449 2,450 0.322,451 -0.624,452 -0.759,454 -1.543,455 -0.588,456 0.593,457 -0.769,458 2,459 0.137,460 -0.834,461 -1.134,463 -2.056,464 -0.808,465 10.233,466 0.465,467 0.558,468 0.025,469 34.5,470 1.568,471 19.5,472 0.886,473 15,474 0.682,475 12.622,476 0.574,477 22.767,478 0.632,479 23.534,480 1.07,481 6.917,482 0.314,483 3.698,484 0.168,485 0.121,487 0.342,493 1.089,494 1.317,495 0.765,496 0.945,497 1.148,498 0.817,499 0.553,500 1.048,501 0.684,502 1.035,503 0.485,504 0.915,505 1.369,506 1.207,507 1.067,508 0.959,509 1.177,510 0.944,511 0.746,512 1.018,513 0.909,514 1.04,515 0.687,516 1.015,517 1.333,518 1.049,519 1.14,520 0.879,521 1.189,522 0.94,523 0.557,524 1.008,525 0.877,526 1.091,527 0.559,528 1.054,529 1.233,530 0.911,531 1.218,532 0.977,533 1.062,534 1.052,535 0.834,536 0.97,537 1.012,538 1.128,539 1.012,540 1.125,541 5,542 0.037,543 1.778,544 1.688,545 1.018,546 0.681,547 0.365,548 0.321,549 0.151,550 0.119,551 4682,552 14247,553 2.07,554 38.9,556 6,558 1,559 4,560 3,564 1.649,565 1.941,566 3.046,567 1.914,568 1,569 1,571 1,573 58.701,574 1.631,575 3.707,576 4.551,577 4.982,578 4.982,579 4.982,580 2.461,581 3.641,582 4.434,583 3.192,584 737.444,585 7.637,586 8072.81,587 1,588 1,590 1,591 186.117,592 1.395,593 4.392,594 0.208,595 0.006,596 0.054,597 0.053,598 0.034,599 0.023,600 0.013,601 0.015,602 0.009,603 0.012,604 0.427,605 0.5,606 1,607 0.595,608 100.038,609 -0.213,610 -0.155,611 -0.003,612 0.036,613 -0.287,614 0.053,615 0.275,616 0.067,617 0.145,618 -0.063,619 0.224,620 -0.009,621 -0.323,622 -0.139,623 -0.161,624 -0.038,625 -0.256,626 -0.058,627 0.189,628 0.01,629 0.021,630 -0.089,631 0.141,632 -0.078,633 -0.352,634 0.004,635 -0.215,636 0.044,637 -0.287,638 -0.034,639 0.227,640 -0.01,641 0.052,642 -0.1,643 0.176,644 -0.07,645 -0.276,646 0.059,647 -0.224,648 -0.034,649 -0.172,650 -0.089,651 0.167,652 -0.129,653 0.04,654 -0.094,655 0.15,656 -0.062,657 1.505,658 3.54,659 0.818,660 14.992,661 1.013,662 1.135,663 2.908,664 8.459,665 0.682,666 3.219,667 3.526,668 3.738,669 4.025,670 4.22,671 4.234,672 4.248,673 4.357,674 4.331,675 4.317,676 5.183,677 0.665,678 294.35,679 3.219,680 4.745,681 5.572,682 6.444,683 7.288,684 8.166,685 9.017,686 9.897,687 10.752,688 11.632,689 16.7,693 1,697 1,699 4,702 1,704 7,705 4,709 7,711 18,722 1,724 1,728 1,731 36,733 18,734 1,735 24,737 38,738 15,739 14,740 2,741 4,746 3,747 3,752 1,761 14,762 1,777 1,778 1,781 14,782 7,783 4,784 7,790 6,794 1,795 1,805 1,812 3,840 3,844 1,848 22,849 1,853 1,855 1,870 2.8,872 1,877 11.333,878 6.667,879 4.806,880 1.911,881 3.483,882 1.512,883 0.978,884 3.854,885 10.286,886 3.526,887 4.151,888 4.698,889 5.295,890 5.833,891 5.994,892 6.31,893 6.738,894 7.039,895 7.315,896 1,897 32,898 8.026,900 3.348,901 7.871,902 14.929,904 11.708,905 2.371,906 52.167,910 117.711,911 89.555,912 118.05,914 42.683,917 89.555,918 160.394,919 118.05,920 8.825,922 89.755,923 121.597,924 37.656,925 4.227,926 105.94,928 117.711,929 207.605,930 42.683,933 122.367,934 42.683,937 37.782,938 98.025,939 67.142,941 117.711,942 160.733,943 89.555,946 117.711,947 14.825,948 74.73,949 18.011,950 142.723,951 117.711,952 160.733,953 89.555,955 0.577,956 0.321,957 0.184,958 0.101,959 16,960 7,961 0.079,962 3,964 1,965 3.4,966 171.631,968 18,969 98.107,974 14.233,975 5.957,976 3.32,978 160.733,979 12.055,980 16.715,984 3.285,986 93.591,987 368,988 33,999 36.473,1000 40.86,1001 0.315,1002 0.717,1003 0.88,1004 0.964,1005 0.964,1006 0.964,1007 4.732,1008 1.176,1009 5.549,1010 3.226,1011 4.205,1012 4.836,1013 0.278,1014 6.319,1015 4.098,1016 5.947,1017 1.058,1018 7.076,1019 2.697,1020 3.761,1021 4.559,1023 7.096,1024 3.588,1025 7.244,1026 0.1,1027 8.698,1028 2.582,1029 5.753,1030 7.024,1031 0.05,1032 10.197,1033 5.543,1034 8.573,1035 -0.347,1036 10.376,1037 0.264,1038 6.066,1039 7.487,1041 11.815,1042 5.796,1043 9.927,1044 -0.382,1045 12.091,1046 -0.879,1047 7.561,1048 9.449,1049 0.008,1050 14.433,1051 7.258,1052 11.302,1053 -0.446,1054 13.834,1055 -0.891,1056 8.26,1057 10.305,1059 16.443,1060 7.904,1061 12.692,1062 -0.624,1063 15.599,1064 -1.138,1065 9.529,1066 12.012,1067 0.001,1068 18.88,1069 9.139,1070 3.063,1071 -0.834,1072 17.382,1073 -1.543,1074 10.428,1075 13.09,1077 21.069,1078 9.989,1079 2.683,1080 10.308,1081 19.18,1082 -2.056,1083 11.596,1084 14.656,1086 23.437,1087 11.121,1088 2.514,1089 7.751,1090 20.99,1091 4.104,1092 12.597,1093 15.865,1095 25.706,1096 12.074,1097 2.021,1098 7.124,1099 22.81,1100 3.674,1101 13.722,1102 17.352,1104 28.05,1105 13.161,1106 1.879,1107 5.708,1108 24.639,1109 3.521,1110 14.774,1111 18.638,1113 30.354,1114 14.168,1115 1.786,1116 4.967,1117 26.476,1118 2.603,1119 15.884,1120 20.082,1122 32.689,1123 15.238,1124 1.414,1125 4.963,1126 28.318,1127 2.481,1128 16.962,1129 21.414,1131 35.008,1132 16.272,1133 4587,1134 8121,1135 16.008,1136 24.534,1137 35.794,1138 35.318,1139 36.483,1140 35.457,1141 35.389,1142 48.581,1143 0.8,1144 99.176,1145 33.494,1146 5.202,1147 5.129,1148 6.208,1149 5.119,1150 5.063,1151 7.104,1152 0.8,1153 17.194,1154 4.929,1155 10.085,1156 1.491,1157 1.472,1158 1.52,1159 1.477,1160 1.475,1161 2.024,1162 0.033,1163 4.132,1164 1.396,1165 3.992,1166 4.036,1167 3.957,1168 3.873,1169 6.471,1170 3.885,1171 3.859,1172 3.895,1173 3.81,1174 3.757,1175 5.259,1176 3.765,1177 3.694,1178 3.754,1179 3.643,1180 3.495,1181 4.912,1182 3.527,1183 3.172,1184 3.278,1185 3.004,1186 2.956,1187 4.682,1188 2.953,1189 3.099,1190 3.167,1191 2.99,1192 2.891,1193 4.61,1194 2.906,1195 2.952,1196 3.038,1197 2.856,1198 2.746,1199 4.03,1200 2.754,1201 2.919,1202 2.967,1203 2.787,1204 2.726,1205 3.962,1206 2.739,1207 2.654,1208 2.734,1209 2.536,1210 2.467,1211 3.733,1212 2.479,1213 0.184,1214 0.13,1215 0.272,1216 0.167,1217 0.128,1218 4.422,1219 0.171,1220 3.129,1221 0.017,1222 6.526,1223 0.429,1224 4.019,1225 0.122,1226 3.063,1227 4.104,1228 0.4,1229 10.308,1230 2.929,1231 1.918,1232 1.886,1233 2.007,1234 2.06,1235 1.073,1236 2.042,1237 1.825,1238 1.794,1239 1.921,1240 1.958,1241 0.972,1242 1.948,1243 1.613,1244 1.551,1245 1.763,1246 1.825,1247 0.766,1248 1.81,1249 1.147,1250 1.056,1251 1.439,1252 1.442,1253 0.35,1254 1.46,1255 1.038,1256 0.971,1257 1.244,1258 1.287,1259 0.247,1260 1.278,1261 0.883,1262 0.839,1263 1.137,1264 1.171,1265 0.138,1266 1.162,1267 0.875,1268 0.8,1269 1.11,1270 1.13,1271 0.033,1272 1.129,1273 0.621,1274 0.548,1275 0.897,1276 0.873,1278 0.888,1279 3.892,1281 5.198,1283 6.698,1285 8.289,1287 9.925,1289 1.75,1293 5.683,1294 9.54,1296 3.138,1305 23.95,1306 58.701,1307 133.446,1308 163.853,1309 179.362,1310 179.362,1311 179.362,1312 28.105,1313 6.802,1314 109.84,1315 109.84,1316 18,1317 12.173,1318 4.248,1319 3.322,1320 34.266,1321 67,1322 62,1323 0.25,1324 150.891,1325 249.31,1326 359.934,1327 7628,1329 15.527,1330 0.706,1331 0.539,1332 15.527,1333 11.855,1334 10.614,1335 0.442,1336 0.276,1337 6.51,1338 10.178,1339 6.351,1340 5.31,1341 10.614,1342 6.612,1343 9.759,1344 0.296,1345 0.141,1346 9.759,1347 4.639,1348 7.469,1349 0.182,1350 0.071,1351 7.469,1352 2.922,1353 6.71,1354 0.122,1355 0.037,1356 6.71,1357 2.029,1358 5.1,1359 0.076,1360 0.019,1361 5.1,1362 1.272,1363 0.381,1364 66.638,1365 0.25,1366 21.411,1367 0.72,1368 114,1369 352.375,1370 127.399,1371 349.585,1372 483.37,1373 326,1374 131,1375 368.044,1376 143.152,1377 373.164,1378 540.12,1379 351,1380 7.921}
{0 CHEMBL2165053,1 1.529,2 8.167,3 1.878,4 3.528,5 88.246,6 8.378,7 0.815,8 3.789,9 3.927,10 3.458,11 3.306,12 5.02,13 3.327,14 4.234,15 4.403,16 3.818,17 3.664,18 5.468,19 3.669,20 4.386,21 4.583,22 3.803,23 3.726,24 5.514,25 3.719,26 4.408,27 4.613,28 3.785,29 3.708,30 5.576,31 3.68,32 4.427,33 4.654,34 3.679,35 3.695,36 5.522,37 3.659,38 4.389,39 4.607,40 3.736,41 3.702,42 5.543,43 3.66,44 4.406,45 4.638,46 3.574,47 3.643,48 5.495,49 3.585,50 4.296,51 4.563,52 3.334,53 3.434,54 5.331,55 3.341,56 0.098,57 0.683,58 6.258,59 2.545,60 9.52,61 3.162,62 0.227,63 1.021,64 11.029,65 4.388,66 21.127,67 5.728,68 0.235,69 1.12,70 14.022,71 4.499,72 21.781,73 5.984,74 0.322,75 1.122,76 14.605,77 5.177,78 25.259,79 6.97,80 0.304,81 1.094,82 16.168,83 4.814,84 30.449,85 6.569,86 0.294,87 1.072,88 15.309,89 5.648,90 28.395,91 7.783,92 0.275,93 1.042,94 16.002,95 5.022,96 28.604,97 6.933,98 0.304,99 0.863,100 16.183,101 5.201,102 29.256,103 7.547,104 5,105 38,106 0.268,107 0.671,108 0.827,109 0.889,110 0.889,111 0.889,112 3.229,113 0.815,114 -4.38,115 -4.31,116 -4.07,119 42.1,120 1,142 5,143 2,144 1,145 2,147 1,149 2,150 1,152 1,163 1,164 1,165 1,168 1,172 4,174 3,175 7,177 2,178 3,180 5,183 4,187 4,192 3,195 1,198 2,199 8,201 1,202 4,203 1,204 5,207 3,209 2,212 2,217 1,220 4,222 1,223 2,224 8,226 1,227 3,228 1,229 3,231 1,232 5,234 1,237 3,242 1,245 2,249 2,250 5,253 2,255 3,258 3,260 2,263 1,268 1,271 1,273 1,275 790,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 15.074,283 9.754,284 16.861,285 13.38,286 13.38,287 13.38,288 13.38,289 13.38,290 9.487,291 23.388,292 4.65,293 14.061,294 3.718,295 1.421,296 0.536,297 0.178,298 0.178,299 0.178,300 3.929,303 1,304 1,305 1,306 432,307 2.236,310 45.907,311 194.831,314 85.626,318 1.264,319 18.185,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 52,331 196,332 4.529,333 3.181,334 6.574,335 4.077,336 3.11,337 4.462,338 0.4,339 10.468,340 3.013,341 4.396,342 3.014,343 6.464,344 3.955,345 2.988,346 4.094,348 10.06,349 2.886,350 3.973,351 2.691,352 5.547,353 3.493,354 2.57,355 3.562,357 7.447,358 2.366,359 3.488,360 2.218,361 5.215,362 3.062,363 2.109,364 2.866,366 6.328,367 2.009,368 3.232,369 2.084,370 4.883,371 2.797,372 1.879,373 2.512,375 5.309,376 1.726,377 3.229,378 1.866,379 4.618,380 2.751,381 1.818,382 2.481,384 4.963,385 1.69,386 3.048,387 1.548,388 4.135,389 2.536,390 1.548,391 2.321,393 3.681,394 1.528,395 2.875,396 1.469,397 3.943,398 2.405,399 1.427,400 2.037,402 3.25,403 1.393,404 2.55,405 1.068,406 3.595,407 1.999,408 1.058,409 1.575,411 2.697,412 0.993,413 2.5,414 1,415 3.412,416 1.97,417 1,418 1.5,420 2.234,421 0.968,422 2.094,423 0.727,424 3.244,425 1.621,426 0.662,427 0.927,428 1.678,429 0.633,430 1.381,431 0.139,432 2.802,433 0.992,434 0.044,435 0.058,436 0.113,437 0.042,438 1,439 -0.126,440 2.596,441 0.573,442 -0.347,443 -0.445,445 -0.891,446 -0.317,447 0.991,448 -0.259,449 2.382,450 0.543,451 -0.395,452 -0.52,454 -1.032,455 -0.37,456 0.798,457 -0.406,458 2.305,459 0.382,460 -0.561,461 -0.697,463 -1.333,464 -0.53,465 11.2,466 0.467,467 0.554,468 0.023,469 37.75,470 1.573,471 21,472 0.875,473 16.75,474 0.698,475 14.521,476 0.605,477 24.2,478 0.637,479 25.791,480 1.075,481 7.526,482 0.314,483 4.178,484 0.174,485 0.08,487 0.357,493 1.02,494 1.257,495 0.714,496 0.915,497 1.113,498 0.785,499 0.657,500 1.052,501 0.693,502 0.96,503 0.551,504 0.858,505 1.328,506 1.23,507 1.002,508 0.975,509 1.097,510 0.935,511 0.827,512 1.023,513 0.984,514 1.099,515 0.716,516 1.077,517 1.41,518 1.011,519 1.14,520 0.899,521 1.373,522 0.954,523 0.634,524 0.906,525 0.838,526 0.999,527 0.703,528 0.966,529 1.287,530 1.088,531 1.195,532 1.07,533 1.249,534 1.106,535 0.801,536 0.857,537 1.021,538 1.032,539 0.9,540 1.062,541 4.5,542 0.069,543 2.444,544 1.625,545 1.049,546 0.712,547 0.387,548 0.28,549 0.175,550 0.135,551 6244,552 17872,553 2.161,554 36.8,556 5,558 2,559 4,560 3,564 1.674,565 2.057,566 3.065,567 1.86,568 1,569 1,571 1,573 58.118,574 1.529,575 3.826,576 4.712,577 5.07,578 5.07,579 5.07,580 2.44,581 4.168,582 4.562,583 3.228,584 890.924,585 7.895,586 10318.2,587 1,588 1,590 1,591 199.421,592 1.281,593 4.532,594 0.167,595 0.008,596 0.064,597 0.044,598 0.03,599 0.022,600 0.011,601 0.01,602 0.008,603 0.009,604 0.374,605 0.17,606 1,607 0.49,608 112.189,609 -0.123,610 -0.095,611 0.027,612 0.027,613 -0.253,614 0.051,615 0.271,616 0.048,617 0.13,618 -0.006,619 0.271,620 0.027,621 -0.318,622 -0.171,623 -0.119,624 -0.044,625 -0.239,626 -0.043,627 0.173,628 0.014,629 -0.076,630 -0.155,631 0.162,632 -0.163,633 -0.376,634 -0.006,635 -0.187,636 0.044,637 -0.335,638 -0.02,639 0.255,640 0.078,641 0.105,642 0.002,643 0.231,644 0.02,645 -0.307,646 -0.115,647 -0.227,648 -0.104,649 -0.271,650 -0.141,651 0.143,652 0.024,653 0.049,654 -0.021,655 0.087,656 -0.008,657 1.482,658 1.744,659 0.875,660 16.34,661 1.012,662 1.138,663 3.147,664 9.907,665 0.693,666 3.332,667 3.664,668 3.951,669 4.263,670 4.443,671 4.511,672 4.595,673 4.727,674 4.718,675 4.771,676 5.359,677 0.678,678 318.38,679 3.332,680 4.875,681 5.733,682 6.621,683 7.494,684 8.386,685 9.264,686 10.157,687 11.037,688 11.931,689 21.1,693 1,697 2,699 5,702 1,703 2,704 7,705 5,706 1,709 6,711 22,722 1,724 1,731 38,733 22,734 1,735 27,737 41,738 16,739 15,740 3,741 3,746 4,747 5,752 1,761 15,762 1,777 1,778 1,781 14,782 7,783 4,784 8,790 8,794 0.75,803 1,805 1,811 1,812 3,815 1,840 3,844 1,848 24,849 1,855 1,877 11.667,878 7.167,879 5.194,880 2.082,881 4.445,882 1.602,883 1.051,884 3.559,885 11.829,886 3.664,887 4.334,888 4.974,889 5.618,890 6.129,891 6.416,892 6.81,893 7.254,894 7.461,895 7.826,896 1,897 37,898 8.755,900 3.71,901 7.722,902 16.505,904 13.308,905 2.222,906 53.333,910 117.711,911 93.844,912 151.376,917 93.844,918 117.711,919 151.376,920 8.825,922 80.278,923 107.347,924 65.94,925 6.371,926 94.169,928 117.711,929 245.22,933 122.367,937 63.493,938 93.266,939 83.805,941 117.711,942 151.376,943 93.844,946 117.711,947 19.542,948 74.301,949 34.674,950 116.702,951 117.711,952 151.376,953 93.844,955 0.581,956 0.34,957 0.2,958 0.103,959 20,960 8,961 0.073,962 3,963 1,964 1.095,965 3.613,966 204.217,967 0.095,968 21,969 110.039,974 14.547,975 5.871,976 2.807,977 1.915,978 134.713,979 13.056,980 21.074,981 2.947,984 3.495,986 67.571,987 362.931,988 38,999 38.465,1000 43.232,1001 0.291,1002 0.729,1003 0.898,1004 0.966,1005 0.966,1006 0.966,1007 4.879,1008 1.427,1009 5.714,1010 3.681,1011 4.344,1012 5.021,1013 0.278,1014 6.529,1015 4.249,1016 6.108,1017 1.058,1018 7.268,1019 3.25,1020 3.892,1021 4.808,1023 7.413,1024 3.755,1025 7.422,1026 1,1027 8.922,1028 2.697,1029 5.932,1030 7.299,1031 0.05,1032 10.541,1033 5.752,1034 8.775,1035 0.662,1036 10.637,1037 2.234,1038 6.312,1039 7.939,1041 12.279,1042 6.102,1043 10.16,1044 0.044,1045 12.393,1046 1.678,1047 7.81,1048 9.866,1049 0.008,1050 14.904,1051 7.56,1052 11.568,1053 -0.347,1054 14.177,1055 0.113,1056 8.585,1057 10.926,1059 16.99,1060 8.311,1061 12.995,1062 -0.395,1063 15.981,1064 -0.891,1065 9.856,1066 12.604,1067 0.001,1068 19.436,1069 9.547,1070 3.11,1071 -0.561,1072 17.801,1073 -1.032,1074 10.817,1075 13.874,1077 21.666,1078 10.483,1079 2.988,1080 10.468,1081 19.632,1082 -1.333,1083 11.994,1084 15.438,1086 24.043,1087 11.628,1088 2.57,1089 10.06,1090 21.473,1091 4.462,1092 13.04,1093 16.813,1095 26.332,1096 12.647,1097 2.109,1098 7.447,1099 23.32,1100 4.094,1101 14.179,1102 18.326,1104 28.683,1105 13.755,1106 1.879,1107 6.328,1108 25.173,1109 3.562,1110 15.264,1111 19.752,1113 30.998,1114 14.812,1115 1.818,1116 5.309,1117 27.03,1118 2.866,1119 16.389,1120 21.244,1122 33.339,1123 15.906,1124 1.548,1125 4.963,1126 28.891,1127 2.512,1128 17.491,1129 22.696,1131 35.665,1132 16.98,1133 5875,1134 10077,1135 18.493,1136 26.33,1137 40.865,1138 40.34,1139 41.332,1140 40.471,1141 40.426,1142 56.788,1143 0.8,1144 116.456,1145 38.491,1146 5.319,1147 5.181,1148 6.255,1149 5.177,1150 5.11,1151 7.462,1152 0.8,1153 17.472,1154 5.013,1155 8.705,1156 1.514,1157 1.494,1158 1.531,1159 1.499,1160 1.497,1161 2.103,1162 0.03,1163 4.313,1164 1.426,1165 4.109,1166 4.152,1167 4.074,1168 3.996,1169 5.26,1170 4.009,1171 3.937,1172 3.986,1173 3.909,1174 3.801,1175 5.098,1176 3.82,1177 3.702,1178 3.767,1179 3.655,1180 3.496,1181 4.89,1182 3.53,1183 3.362,1184 3.437,1185 3.275,1186 3.164,1187 4.672,1188 3.181,1189 3.172,1190 3.278,1191 3,1192 2.961,1193 4.414,1194 2.96,1195 3.1,1196 3.171,1197 2.99,1198 2.915,1199 4.03,1200 2.923,1201 2.951,1202 3.041,1203 2.857,1204 2.742,1205 3.994,1206 2.76,1207 2.714,1208 2.792,1209 2.605,1210 2.511,1211 3.741,1212 2.53,1213 0.168,1214 0.118,1215 0.243,1216 0.151,1217 0.115,1218 4.529,1219 0.165,1220 3.181,1221 0.015,1222 6.574,1223 0.388,1224 4.077,1225 0.112,1226 3.11,1227 4.462,1228 0.4,1229 10.468,1230 3.013,1231 1.953,1232 1.926,1233 2.03,1234 2.071,1235 1.161,1236 2.057,1237 1.849,1238 1.814,1239 1.931,1240 1.986,1241 0.989,1242 1.971,1243 1.614,1244 1.551,1245 1.763,1246 1.832,1247 0.766,1248 1.813,1249 1.316,1250 1.236,1251 1.462,1252 1.641,1253 0.419,1254 1.593,1255 1.147,1256 1.054,1257 1.439,1258 1.442,1259 0.342,1260 1.46,1261 1.028,1262 0.973,1263 1.226,1264 1.23,1265 0.29,1266 1.227,1267 0.962,1268 0.885,1269 1.181,1270 1.186,1271 0.108,1272 1.207,1273 0.836,1274 0.746,1275 1.078,1276 1.157,1278 1.145,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.595,1285 8.473,1286 6.605,1287 10.138,1289 1.775,1293 5.744,1296 3.327,1305 25.752,1306 58.118,1307 145.405,1308 179.057,1309 192.666,1310 192.666,1311 192.666,1312 25.811,1313 7.385,1314 118.29,1315 118.29,1316 23,1317 12.46,1318 4.524,1319 3.585,1320 33.664,1321 76,1322 62,1323 0.214,1324 159.755,1325 253.92,1326 381.561,1327 16524,1329 16.518,1330 0.688,1331 0.536,1332 16.518,1333 12.855,1334 11.704,1335 0.433,1336 0.272,1337 7.213,1338 11.202,1339 7.054,1340 5.876,1341 11.704,1342 7.332,1343 10.667,1344 0.281,1345 0.138,1346 10.667,1347 5.226,1348 8.867,1349 0.174,1350 0.07,1351 8.867,1352 3.551,1353 8.091,1354 0.116,1355 0.036,1356 8.091,1357 2.513,1358 6.13,1359 0.073,1360 0.019,1361 6.13,1362 1.559,1363 0.327,1364 73.551,1365 0.233,1366 22.992,1367 0.618,1368 130,1369 382.204,1370 144.404,1371 381.041,1372 538.5,1373 358,1374 154,1375 421.113,1376 168.238,1377 426.498,1378 622.11,1379 402,1380 7.036}
{0 CHEMBL2165175,1 1.475,2 10.346,3 2.816,4 7.928,5 102.179,6 7.782,7 0.586,8 3.889,9 4.007,10 3.503,11 3.497,12 5.038,13 3.478,14 4.371,15 4.528,16 3.85,17 3.871,18 5.523,19 3.83,20 4.604,21 4.796,22 3.871,23 3.989,24 5.667,25 3.925,26 4.622,27 4.834,28 3.784,29 3.936,30 5.68,31 3.845,32 4.618,33 4.849,34 3.714,35 3.853,36 5.647,37 3.759,38 4.56,39 4.802,40 3.623,41 3.712,42 5.633,43 3.644,44 4.406,45 4.639,46 3.603,47 3.628,48 5.545,49 3.57,50 4.324,51 4.54,52 3.439,53 3.599,54 5.451,55 3.53,56 0.023,57 0.645,58 7.94,59 3.633,60 5.931,61 4.64,62 0.178,63 1.038,64 14.253,65 6.138,66 18.22,67 8.084,68 0.171,69 1.261,70 19.711,71 7.604,72 27.525,73 10.002,74 0.217,75 1.261,76 20.752,77 8.141,78 30.885,79 11.167,80 0.149,81 1.24,82 21.632,83 8.286,84 30.754,85 11.371,86 0.259,87 1.172,88 21.53,89 6.924,90 41.708,91 9.241,92 0.249,93 1.013,94 17.933,95 6.252,96 34.137,97 8.496,98 0.235,99 0.906,100 16.291,101 5.577,102 35.941,103 7.077,104 5,105 40,106 0.251,107 0.612,108 0.757,109 0.852,110 0.888,111 0.904,112 3.304,113 0.873,114 -4.64,115 -4.56,116 -4.29,119 47.7,120 1,125 1,135 1,138 1,142 9,143 4,145 1,146 1,158 1,159 1,172 13,175 6,178 3,179 1,180 2,183 17,187 3,192 2,195 15,198 1,199 2,202 1,204 7,207 7,211 1,212 6,217 9,220 3,224 4,229 4,232 2,236 1,237 6,240 2,242 5,245 6,250 4,255 1,258 10,263 4,271 13,275 984,276 17.809,277 17.809,278 17.809,279 17.809,280 17.809,281 15.239,282 16.834,283 10.642,284 18.031,285 14.369,286 14.369,287 14.369,288 14.369,289 14.369,290 10.473,291 21.47,292 5.094,293 14.719,294 3.984,295 1.868,296 1.018,297 0.461,298 0.244,299 0.154,300 4.006,303 1,304 1,305 1,306 592,307 2.449,311 291.831,315 112.374,318 1.5,319 18.398,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 55,331 269,332 4.494,333 3.548,334 6.506,335 4.032,336 3.035,337 4.43,338 1.31,339 10.197,340 3.027,341 4.345,342 3.131,343 6.219,344 3.933,345 2.958,346 3.906,347 0.969,348 9.392,349 2.884,350 3.92,351 2.991,352 5.474,353 3.505,354 2.546,355 3.363,356 0.566,357 7.324,358 2.443,359 3.548,360 2.751,361 5.199,362 3.155,363 2.182,364 2.916,365 0.116,366 6.264,367 2.132,368 3.442,369 2.376,370 4.996,371 3.059,372 2.08,373 2.697,375 5.896,376 2.022,377 3.383,378 2.238,379 4.773,380 2.911,381 1.928,382 2.553,384 5.342,385 1.871,386 3.118,387 1.618,388 4.171,389 2.618,390 1.618,391 2.427,393 3.801,394 1.618,395 2.817,396 1.512,397 4.143,398 2.33,399 1.354,400 1.906,402 3.583,403 1.318,404 2.77,405 1.304,406 3.599,407 2.274,408 1.275,409 1.894,411 2.849,412 1.274,413 2.561,414 1.2,415 3.471,416 2.03,417 1.07,418 1.537,420 2.504,421 1.025,422 2.408,423 1.094,424 3.407,425 1.978,426 1,427 1.363,428 2.328,429 0.976,430 1.819,431 0.746,432 3.091,433 1.479,434 0.527,435 0.647,436 1.253,437 0.5,438 1.224,439 0.684,440 2.655,441 0.703,442 -0.277,443 -0.344,445 -0.722,446 -0.27,447 1.031,448 -0.047,449 2.521,450 0.622,451 -0.371,452 -0.484,454 -0.864,455 -0.359,456 0.961,457 -0.131,458 2.306,459 0.578,460 -0.418,461 -0.574,463 -1.025,464 -0.416,465 12.433,466 0.478,467 0.571,468 0.022,469 37.25,470 1.433,471 20.5,472 0.788,473 16.75,474 0.644,475 17.556,476 0.675,477 25.967,478 0.59,479 26.711,480 1.027,481 7.659,482 0.295,483 5.028,484 0.193,485 0.067,487 0.322,493 0.781,494 1.154,495 0.746,496 0.922,497 0.621,498 0.84,499 0.577,500 0.967,501 0.821,502 0.953,503 0.54,504 0.923,505 1.17,506 1.045,507 1.057,508 0.979,509 1.063,510 0.993,511 0.738,512 1.154,513 1.037,514 1.137,515 0.664,516 1.123,517 0.905,518 1.222,519 0.982,520 1.152,521 0.844,522 1.091,523 1.681,524 1.053,525 1.089,526 0.889,527 1.622,528 0.905,529 1.117,530 0.944,531 0.875,532 0.878,533 1.082,534 0.849,535 1.885,536 0.724,537 1.214,538 0.791,539 1.945,540 0.893,541 5,542 0.083,543 2.444,544 1.5,545 1.391,546 0.576,547 0.37,548 0.299,549 0.226,550 0.144,551 8471,552 21542,553 2.148,554 40.9,556 12,558 1,559 2,560 3,564 1.69,565 2.053,566 3.361,567 0.213,568 1,569 1,573 64.918,574 1.475,575 3.591,576 4.441,577 4.999,578 5.215,579 5.306,580 2.735,581 4.287,582 4.677,583 3.519,584 1143.82,585 8.098,586 14405.8,588 1,590 1,591 240.215,592 1.239,593 4.65,594 0.172,595 0.004,596 0.061,597 0.038,598 0.04,599 0.018,600 0.013,601 0.01,602 0.009,603 0.006,604 0.371,605 0.17,606 1,607 0.465,608 127.471,609 -0.058,610 -0.069,611 0.04,612 0.015,613 -0.077,614 0.036,615 0.247,616 0.096,617 0.034,618 -0.011,619 0.115,620 -0.019,621 -0.185,622 -0.011,623 -0.134,624 -0.032,625 -0.156,626 -0.067,627 0.129,628 -0.158,629 -0.088,630 -0.172,631 0.086,632 -0.16,633 0.047,634 -0.254,635 0.011,636 -0.178,637 0.052,638 -0.106,639 -0.233,640 -0.031,641 -0.032,642 0.042,643 -0.177,644 0.034,645 0.16,646 0.069,647 0.153,648 0.068,649 0.168,650 0.102,651 -0.385,652 0.291,653 -0.203,654 0.155,655 -0.254,656 0.034,657 1.857,658 5.042,659 0.846,660 20.935,661 0.998,662 1.116,663 3.408,664 11.615,665 0.7,666 3.401,667 3.714,668 3.97,669 4.248,670 4.477,671 4.454,672 4.564,673 4.625,674 4.771,675 4.718,676 6.305,677 0.67,678 342.43,679 3.401,680 4.934,681 5.778,682 6.65,683 7.507,684 8.382,685 9.244,686 10.119,687 10.984,688 11.858,689 9.1,691 1,696 1,698 1,699 1,703 2,704 10,705 1,709 3,711 17,731 44,733 20,734 2,735 29,737 47,738 21,739 15,740 3,741 7,742 4,746 4,747 5,750 1,752 1,761 19,762 2,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 18,782 5,783 2,784 5,790 4,794 0.75,795 1,805 1,812 4,816 1,826 1,831 2,835 1,840 3,844 1,848 26,854 1,855 2,870 2.3,873 1,877 12.667,878 8.233,879 5.667,880 2.55,881 3.883,882 1.517,883 1.032,884 4.405,885 11.39,886 3.726,887 4.344,888 4.94,889 5.538,890 6.093,891 6.271,892 6.618,893 6.922,894 7.308,895 7.223,896 0.857,897 40,898 9.568,900 4.054,901 7.686,902 18.296,904 14.938,905 2.186,906 56.833,909 1,910 188.338,911 138.375,912 69.593,914 25.145,917 138.375,918 213.483,919 69.593,920 8.825,921 20.116,922 112.773,923 61.163,924 40.107,925 1.899,926 176.567,928 188.338,929 207.968,930 25.145,933 188.338,934 25.145,937 75.542,938 103.407,939 29.019,941 188.338,942 94.737,943 138.375,946 188.338,947 25.74,948 112.635,949 36.022,950 58.716,951 188.338,952 94.737,953 138.375,955 0.577,956 0.333,957 0.189,958 0.106,959 20,960 8,961 0.085,962 4,963 1,964 1.091,965 3.873,966 219.559,967 0.091,968 22,969 118.211,974 16.345,975 7.007,976 3.624,977 2.375,978 94.737,979 19.915,980 4.186,984 2.905,986 36.022,987 421.45,988 40.5,993 12.042,995 1.498,996 4.546,997 0.888,999 43.92,1000 49.109,1001 0.27,1002 0.658,1003 0.814,1004 0.916,1005 0.955,1006 0.972,1007 4.943,1008 1.354,1009 5.746,1010 3.801,1011 4.394,1012 5.03,1013 1.885,1014 6.526,1015 4.35,1016 6.158,1017 1.275,1018 7.279,1019 3.583,1020 3.892,1021 4.771,1022 0.623,1023 7.334,1024 3.843,1025 7.463,1026 1.07,1027 8.909,1028 2.849,1029 5.953,1030 7.253,1031 2,1032 10.435,1033 5.87,1034 8.802,1035 1,1036 10.598,1037 2.504,1038 6.256,1039 7.821,1040 1.178,1041 12.089,1042 6.172,1043 10.172,1044 0.527,1045 12.326,1046 2.328,1047 7.779,1048 9.763,1049 2.255,1050 14.687,1051 7.667,1052 11.563,1053 -0.277,1054 14.081,1055 1.253,1056 8.483,1057 10.765,1058 1.735,1059 16.707,1060 8.373,1061 12.973,1062 -0.371,1063 15.857,1064 -0.722,1065 9.766,1066 12.454,1067 2.594,1068 19.12,1069 9.633,1070 3.035,1071 -0.418,1072 17.649,1073 -0.864,1074 10.671,1075 13.687,1076 2.298,1077 21.3,1078 10.54,1079 2.958,1080 10.197,1081 19.453,1082 -1.025,1083 11.846,1084 15.256,1085 2.995,1086 23.643,1087 11.698,1088 2.546,1089 9.392,1090 21.268,1091 4.43,1092 12.85,1093 16.609,1094 2.862,1095 25.891,1096 12.701,1097 2.182,1098 7.324,1099 23.09,1100 3.906,1101 13.978,1102 18.124,1103 3.44,1104 28.209,1105 13.817,1106 2.08,1107 6.264,1108 24.918,1109 3.363,1110 15.03,1111 19.538,1112 3.424,1113 30.488,1114 14.866,1115 1.928,1116 5.896,1117 26.753,1118 2.916,1119 16.139,1120 21.029,1121 3.915,1122 32.797,1123 15.966,1124 1.618,1125 5.342,1126 28.591,1127 2.697,1128 17.214,1129 22.475,1130 3.983,1131 35.09,1132 17.037,1133 7931,1134 12781,1135 19.879,1136 30.807,1137 43.737,1138 44.415,1139 43.889,1140 43.102,1141 43.146,1142 59.279,1143 5.921,1144 121.465,1145 42.18,1146 5.397,1147 5.548,1148 6.195,1149 5.103,1150 5.035,1151 7.43,1152 2.421,1153 16.978,1154 5.027,1155 9.271,1156 1.508,1157 1.532,1158 1.513,1159 1.486,1160 1.488,1161 2.044,1162 0.204,1163 4.188,1164 1.454,1165 4.095,1166 4.118,1167 4.047,1168 4.054,1169 7.43,1170 4.05,1171 3.955,1172 3.99,1173 3.914,1174 3.855,1175 4.939,1176 3.864,1177 3.711,1178 3.767,1179 3.659,1180 3.513,1181 4.882,1182 3.542,1183 3.5,1184 3.546,1185 3.398,1186 3.409,1187 4.703,1188 3.401,1189 3.296,1190 3.361,1191 3.182,1192 3.142,1193 4.338,1194 3.141,1195 3.166,1196 3.245,1197 2.995,1198 3.013,1199 4.063,1200 2.995,1201 2.982,1202 3.034,1203 2.905,1204 2.826,1205 3.88,1206 2.836,1207 2.893,1208 2.946,1209 2.806,1210 2.662,1211 3.819,1212 2.694,1213 0.155,1214 0.122,1215 0.224,1216 0.139,1217 0.105,1218 4.494,1219 0.153,1220 3.548,1221 0.045,1222 6.506,1223 0.352,1224 4.032,1225 0.104,1226 3.035,1227 4.43,1228 1.31,1229 10.197,1230 3.027,1231 2.081,1232 2.062,1233 2.166,1234 2.137,1235 1.324,1236 2.148,1237 1.907,1238 1.876,1239 2,1240 2.033,1241 1.08,1242 2.022,1243 1.623,1244 1.573,1245 1.756,1246 1.85,1247 0.85,1248 1.824,1249 1.505,1250 1.465,1251 1.678,1252 1.637,1253 0.724,1254 1.655,1255 1.278,1256 1.216,1257 1.535,1258 1.476,1259 0.616,1260 1.496,1261 1.185,1262 1.112,1263 1.472,1264 1.399,1265 0.513,1266 1.436,1267 0.956,1268 0.897,1269 1.188,1270 1.137,1271 0.26,1272 1.155,1273 0.805,1274 0.749,1275 1.064,1276 1.063,1277 0.109,1278 1.054,1279 4.078,1281 5.389,1283 6.903,1285 8.51,1287 10.163,1289 1.913,1295 0.573,1296 5.993,1305 29.488,1306 64.918,1307 158.022,1308 195.421,1309 219.95,1310 229.46,1311 233.46,1312 33.589,1313 7.507,1314 70.67,1315 70.67,1316 24,1317 12.4,1318 4.392,1319 3.644,1320 38.068,1321 99,1322 82,1323 0.186,1324 181.608,1325 313.47,1326 434.884,1327 19977,1329 17.933,1330 0.69,1331 0.552,1332 17.933,1333 14.361,1334 12.687,1335 0.437,1336 0.291,1337 8.356,1338 12.35,1339 8.131,1340 6.774,1341 12.687,1342 8.438,1343 11.447,1344 0.286,1345 0.154,1346 11.447,1347 6.157,1348 9.389,1349 0.181,1350 0.082,1351 9.389,1352 4.26,1353 8.212,1354 0.119,1355 0.044,1356 8.212,1357 3.02,1358 6.771,1359 0.078,1360 0.023,1361 6.771,1362 2.043,1363 0.292,1364 78.422,1365 0.224,1366 25.13,1367 0.507,1368 138,1369 373.691,1370 147.93,1371 372.576,1372 518.99,1373 350,1374 161,1375 389.862,1376 169.988,1377 399.485,1378 579.94,1379 377,1380 6.076}
{0 CHEMBL2165176,1 1.56,2 9.625,3 2.128,4 4.527,5 93.432,6 8.138,7 0.593,8 3.796,9 3.919,10 3.445,11 3.372,12 4.98,13 3.371,14 4.264,15 4.413,16 3.782,17 3.756,18 5.45,19 3.73,20 4.477,21 4.671,22 3.75,23 3.837,24 5.543,25 3.778,26 4.478,27 4.689,28 3.706,29 3.767,30 5.595,31 3.698,32 4.471,33 4.7,34 3.595,35 3.675,36 5.519,37 3.601,38 4.402,39 4.644,40 3.514,41 3.511,42 5.568,43 3.452,44 4.2,45 4.444,46 3.355,47 3.428,48 5.244,49 3.369,50 4.093,51 4.305,52 3.335,53 3.415,54 5.227,55 3.365,56 0.069,57 0.627,58 6.645,59 3.012,60 6.938,61 3.683,62 0.195,63 0.975,64 11.591,65 5.068,66 16.81,67 6.396,68 0.186,69 1.115,70 16.727,71 6.633,72 26.262,73 8.58,74 0.285,75 1.116,76 17.306,77 6.608,78 31.747,79 8.937,80 0.176,81 1.071,82 18.178,83 6.65,84 27.937,85 9.016,86 0.448,87 0.99,88 18.287,89 5.731,90 49.254,91 7.638,92 0.208,93 0.814,94 14.608,95 4.797,96 25.934,97 6.498,98 0.175,99 0.727,100 12.257,101 4.423,102 22.616,103 5.69,104 2,105 37,106 0.272,107 0.647,108 0.783,109 0.853,110 0.896,111 0.914,112 3.229,113 0.845,114 -4.07,115 -4.02,116 -3.8,119 46.2,125 1,135 1,138 1,142 7,143 4,145 1,151 1,158 1,159 1,168 1,172 11,175 4,178 3,179 1,180 3,183 15,192 2,195 12,198 2,199 3,202 2,204 8,207 6,212 2,217 5,220 2,223 1,224 4,227 3,228 2,229 4,232 2,237 5,242 3,245 4,250 5,255 2,258 6,263 5,268 2,271 6,275 752,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 14.239,282 14.408,283 10.019,284 16.86,285 13.386,286 13.386,287 13.386,288 13.386,289 13.386,290 9.729,291 19.999,292 4.788,293 13.718,294 3.725,295 1.58,296 0.799,297 0.398,298 0.154,299 0.051,300 3.931,303 1,304 1,305 1,306 514,307 2.345,310 61.25,311 192.255,315 101.661,318 1.354,319 17.434,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 231,332 4.494,333 3.547,334 6.506,335 4.031,336 3.035,337 4.43,338 1.31,339 10.197,340 3.027,341 4.331,342 3.131,343 6.202,344 3.914,345 2.944,346 3.864,347 0.969,348 9.322,349 2.858,350 3.828,351 2.978,352 5.447,353 3.431,354 2.474,355 3.22,356 0.566,357 7.212,358 2.37,359 3.527,360 2.676,361 5.194,362 3.135,363 2.14,364 2.908,365 0.116,366 6.237,367 2.124,368 3.394,369 2.262,370 4.788,371 2.911,372 1.93,373 2.579,375 5.39,376 1.872,377 3.118,378 1.803,379 4.36,380 2.622,381 1.667,382 2.427,384 4.249,385 1.618,386 3.114,387 1.618,388 4.164,389 2.618,390 1.618,391 2.244,393 3.797,394 1.586,395 2.77,396 1.308,397 3.6,398 2.275,399 1.276,400 1.903,402 2.85,403 1.274,404 2.413,405 1.197,406 3.409,407 2,408 1.018,409 1.374,411 2.34,412 0.998,413 2.311,414 0.891,415 3.275,416 1.792,417 0.816,418 1.168,420 1.974,421 0.794,422 2.118,423 0.745,424 3.09,425 1.547,426 0.618,427 0.927,428 1.372,429 0.572,430 1.819,431 0.673,432 3,433 1.477,434 0.525,435 0.645,436 1.25,437 0.499,438 1.223,439 0.618,440 2.536,441 0.703,442 -0.278,443 -0.346,445 -0.723,446 -0.271,447 1.031,448 -0.047,449 2.445,450 0.616,451 -0.408,452 -0.597,454 -1.027,455 -0.408,456 0.882,457 -0.413,458 2.305,459 0.382,460 -0.618,461 -0.775,463 -1.478,464 -0.616,465 11.333,466 0.472,467 0.465,468 0.019,469 34.25,470 1.427,471 18.5,472 0.771,473 15.75,474 0.656,475 15.056,476 0.627,477 24.067,478 0.617,479 23.822,480 0.993,481 7.149,482 0.298,483 4.643,484 0.193,485 0.029,487 0.309,493 0.788,494 1.078,495 0.717,496 0.867,497 0.596,498 0.787,499 0.651,500 0.973,501 0.865,502 0.979,503 0.583,504 0.957,505 1.019,506 1.08,507 1.025,508 1.053,509 1.011,510 1.043,511 0.682,512 1.065,513 0.999,514 1.117,515 0.65,516 1.108,517 0.983,518 1.271,519 1.016,520 1.198,521 0.911,522 1.128,523 1.242,524 0.825,525 1.057,526 0.864,527 1.508,528 0.929,529 1.178,530 0.847,531 0.943,532 0.769,533 0.984,534 0.797,535 1.267,536 0.736,537 0.981,538 0.79,539 1.261,540 0.824,541 4,542 0.045,543 2.222,544 1.153,545 1.179,546 0.458,547 0.279,548 0.209,549 0.211,550 0.12,551 6922,552 18881,553 2.187,554 38.5,556 10,557 1,558 1,559 3,564 1.668,565 2.118,566 3.266,567 0.998,568 1,569 1,571 1,573 60.859,574 1.56,575 3.705,576 4.486,577 4.888,578 5.132,579 5.234,580 2.642,581 3.97,582 4.563,583 3.412,584 941.668,585 7.865,586 11168.7,587 1,588 1,590 1,591 206.131,592 1.099,593 4.546,594 0.148,595 0.003,596 0.06,597 0.033,598 0.037,599 0.016,600 0.011,601 0.009,602 0.009,603 0.006,604 0.332,605 0.33,606 1,607 0.382,608 114.193,609 -0.034,610 0.045,611 0.033,612 0.059,613 -0.06,614 0.058,615 0.153,616 0.111,617 -0.057,618 -0.04,619 0.059,620 -0.078,621 -0.142,622 -0.095,623 -0.108,624 -0.073,625 -0.127,626 -0.083,627 0.195,628 -0.076,629 -0.047,630 -0.151,631 0.125,632 -0.142,633 -0.043,634 -0.328,635 -0.012,636 -0.218,637 0.002,638 -0.13,639 0.15,640 0.151,641 0.022,642 0.074,643 -0.015,644 0.028,645 -0.161,646 0.123,647 0.09,648 0.2,649 -0.035,650 0.197,651 -0.203,652 0.236,653 -0.005,654 0.193,655 -0.066,656 0.149,657 1.874,658 4.864,659 0.875,660 17.611,661 1.007,662 1.122,663 2.838,664 8.053,665 0.7,666 3.332,667 3.638,668 3.912,669 4.19,670 4.357,671 4.369,672 4.454,673 4.533,674 4.615,675 4.605,676 5.915,677 0.678,678 317.38,679 3.332,680 4.86,681 5.707,682 6.578,683 7.438,684 8.312,685 9.175,686 10.05,687 10.915,688 11.789,689 12.8,691 1,696 1,697 1,698 1,699 1,703 2,704 9,705 1,706 1,709 2,711 16,731 39,733 19,734 2,735 27,737 42,738 18,739 13,740 3,741 7,742 4,746 4,747 5,750 1,761 17,762 1,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 15,782 5,783 3,784 6,790 5,794 0.75,795 1,803 1,811 1,812 3,816 1,826 1,831 2,835 1,840 3,848 24,854 1,855 2,870 2.6,873 1,877 11.333,878 6.9,879 5.25,880 2.189,881 3.602,882 1.494,883 1.051,884 3.851,885 10.897,886 3.664,887 4.273,888 4.882,889 5.481,890 5.941,891 6.183,892 6.5,893 6.824,894 7.138,895 7.115,896 1,897 35,898 8.811,900 3.762,901 7.736,902 16.74,904 13.708,905 2.236,906 53.667,910 141.253,911 116.888,912 86.133,914 25.145,917 116.888,918 166.398,919 86.133,921 20.116,922 102.868,923 61.04,924 54.013,925 13.67,926 117.711,928 141.253,929 203.021,930 25.145,933 141.253,934 25.145,937 80.623,938 93.502,939 28.896,941 141.253,942 111.278,943 116.888,946 141.253,947 22.983,948 93.905,949 52.685,950 58.593,951 141.253,952 111.278,953 116.888,955 0.574,956 0.336,957 0.193,958 0.099,959 19,960 7,961 0.095,962 4,963 1,964 1.095,965 3.742,966 197.003,967 0.095,968 21,969 108.039,974 14.669,975 6.301,976 3.104,977 2.367,978 94.615,979 17.719,980 3.888,981 2.722,984 1.916,986 52.685,987 369.419,988 38,993 11.864,995 1.452,996 4.445,997 0.807,999 39.254,1000 43.777,1001 0.295,1002 0.701,1003 0.849,1004 0.925,1005 0.971,1006 0.99,1007 4.875,1008 1.276,1009 5.666,1010 3.797,1011 4.317,1012 4.959,1013 1.885,1014 6.447,1015 4.272,1016 6.082,1017 1.018,1018 7.197,1019 2.85,1020 3.761,1021 4.649,1022 0.623,1023 7.261,1024 3.72,1025 7.383,1026 0.816,1027 8.828,1028 2.34,1029 5.872,1030 7.178,1031 2,1032 10.371,1033 5.787,1034 8.722,1035 0.618,1036 10.521,1037 1.974,1038 6.176,1039 7.762,1040 1.178,1041 12.05,1042 6.096,1043 10.094,1044 0.525,1045 12.255,1046 1.372,1047 7.704,1048 9.691,1049 2.255,1050 14.642,1051 7.59,1052 11.489,1053 -0.278,1054 14.018,1055 1.25,1056 8.42,1057 10.723,1058 1.735,1059 16.676,1060 8.309,1061 12.903,1062 -0.408,1063 15.801,1064 -0.723,1065 9.7,1066 12.392,1067 2.594,1068 19.086,1069 9.565,1070 3.035,1071 -0.618,1072 17.599,1073 -1.027,1074 10.616,1075 13.651,1076 2.298,1077 21.272,1078 10.482,1079 2.944,1080 10.197,1081 19.409,1082 -1.478,1083 11.789,1084 15.206,1085 2.995,1086 23.614,1087 11.637,1088 2.474,1089 9.322,1090 21.228,1091 4.43,1092 12.8,1093 16.577,1094 2.862,1095 25.865,1096 12.646,1097 2.14,1098 7.212,1099 23.054,1100 3.864,1101 13.927,1102 18.084,1103 3.44,1104 28.182,1105 13.76,1106 1.93,1107 6.237,1108 24.887,1109 3.22,1110 14.983,1111 19.509,1112 3.424,1113 30.462,1114 14.813,1115 1.667,1116 5.39,1117 26.724,1118 2.908,1119 16.091,1120 20.997,1121 3.915,1122 32.771,1123 15.911,1124 1.618,1125 4.249,1126 28.564,1127 2.579,1128 17.169,1129 22.45,1130 3.983,1131 35.065,1132 16.984,1133 6424,1134 10752,1135 18.781,1136 27.29,1137 40.695,1138 41.139,1139 40.293,1140 40.04,1141 40.121,1142 55.376,1143 5.921,1144 112.381,1145 39.186,1146 5.397,1147 5.547,1148 6.195,1149 5.105,1150 5.035,1151 7.43,1152 2.421,1153 16.978,1154 5.027,1155 6.08,1156 1.507,1157 1.524,1158 1.492,1159 1.483,1160 1.486,1161 2.051,1162 0.219,1163 4.162,1164 1.451,1165 4.095,1166 4.119,1167 4.047,1168 4.054,1169 7.43,1170 4.049,1171 3.957,1172 4.008,1173 3.918,1174 3.8,1175 5.046,1176 3.823,1177 3.689,1178 3.759,1179 3.638,1180 3.454,1181 4.899,1182 3.482,1183 3.497,1184 3.543,1185 3.396,1186 3.387,1187 4.713,1188 3.392,1189 3.289,1190 3.352,1191 3.177,1192 3.131,1193 4.338,1194 3.131,1195 2.982,1196 3.033,1197 2.905,1198 2.822,1199 4.031,1200 2.834,1201 2.835,1202 2.894,1203 2.775,1204 2.578,1205 3.786,1206 2.575,1207 2.714,1208 2.791,1209 2.556,1210 2.518,1211 3.542,1212 2.564,1213 0.166,1214 0.131,1215 0.241,1216 0.149,1217 0.112,1218 4.494,1219 0.164,1220 3.547,1221 0.049,1222 6.506,1223 0.378,1224 4.031,1225 0.112,1226 3.035,1227 4.43,1228 1.31,1229 10.197,1230 3.027,1231 2.081,1232 2.062,1233 2.165,1234 2.137,1235 1.324,1236 2.147,1237 1.774,1238 1.741,1239 1.847,1240 1.956,1241 0.923,1242 1.924,1243 1.523,1244 1.479,1245 1.704,1246 1.68,1247 0.827,1248 1.678,1249 1.366,1250 1.31,1251 1.547,1252 1.644,1253 0.619,1254 1.614,1255 1.257,1256 1.185,1257 1.457,1258 1.52,1259 0.453,1260 1.524,1261 1.207,1262 1.123,1263 1.372,1264 1.426,1265 0.26,1266 1.42,1267 0.945,1268 0.889,1269 1.182,1270 1.134,1271 0.231,1272 1.149,1273 0.701,1274 0.644,1275 0.97,1276 0.936,1277 0.061,1278 0.956,1279 4.007,1281 5.313,1282 2.398,1283 6.817,1284 4.443,1285 8.415,1286 6.293,1287 10.063,1295 0.569,1296 5.919,1305 26.456,1306 60.859,1307 144.505,1308 174.969,1309 190.621,1310 200.131,1311 204.131,1312 29.13,1313 7.295,1314 86.46,1315 86.46,1316 23,1317 12.331,1318 4.322,1319 3.585,1320 33.9,1321 87,1322 66,1323 0.191,1324 162.553,1325 275.21,1326 388.389,1327 15098,1329 16.355,1330 0.681,1331 0.533,1332 16.355,1333 12.783,1334 11.793,1335 0.437,1336 0.282,1337 7.506,1338 11.385,1339 7.377,1340 6.121,1341 11.793,1342 7.605,1343 10.46,1344 0.283,1345 0.148,1346 10.46,1347 5.458,1348 8.812,1349 0.18,1350 0.079,1351 8.812,1352 3.862,1353 7.732,1354 0.119,1355 0.042,1356 7.732,1357 2.706,1358 5.929,1359 0.077,1360 0.023,1361 5.929,1362 1.74,1363 0.3,1364 73.605,1365 0.231,1366 23.443,1367 0.524,1368 128,1369 366.024,1370 138.984,1371 362.302,1372 503.14,1373 340,1374 150,1375 379.214,1376 160.57,1377 385.732,1378 559.64,1379 364,1380 4.206}
{0 CHEMBL2165178,1 1.51,2 10.111,3 3.256,4 10.6,5 106.269,6 7.147,7 0.367,8 4.031,9 4.157,10 3.575,11 3.544,12 5.064,13 3.526,14 4.594,15 4.78,16 3.917,17 3.934,18 5.622,19 3.891,20 4.828,21 5.048,22 3.967,23 4.107,24 5.729,25 4.03,26 4.875,27 5.102,28 3.938,29 4.142,30 5.789,31 4.03,32 4.964,33 5.218,34 3.943,35 4.133,36 5.853,37 4.023,38 4.933,39 5.17,40 3.91,41 4.061,42 5.943,43 3.98,44 4.86,45 5.088,46 3.819,47 4.029,48 5.896,49 3.925,50 4.846,51 5.115,52 3.631,53 3.968,54 5.694,55 3.813,56 0.017,57 0.768,58 11.048,59 4.502,60 6.273,61 6.192,62 0.368,63 1.242,64 21.553,65 7.409,66 31.303,67 10.405,68 0.334,69 1.501,70 27.923,71 9.495,72 27.094,73 13.751,74 0.338,75 1.575,76 28.926,77 10.793,78 30.468,79 15.632,80 0.288,81 1.625,82 32.8,83 11.293,84 36.898,85 16.739,86 0.434,87 1.557,88 32.392,89 9.615,90 55.741,91 14.001,92 0.563,93 1.449,94 29.801,95 9.538,96 61.104,97 13.751,98 0.208,99 1.363,100 29.556,101 10.816,102 35.54,103 15.767,104 6,105 41,106 0.253,107 0.579,108 0.742,109 0.812,110 0.843,111 0.856,112 3.34,113 0.94,114 -4.49,115 -4.42,116 -4.16,119 41.2,120 1,125 6,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 2,175 5,178 3,180 1,183 14,186 1,187 2,195 12,198 4,199 4,202 1,204 2,207 9,211 1,212 4,217 2,220 6,224 7,229 3,232 6,236 2,237 6,240 1,242 3,245 6,250 9,255 1,258 2,263 11,275 1105,276 18.731,277 18.731,278 18.731,279 18.731,280 18.731,281 16.924,282 21.81,283 11.242,284 19.232,285 14.801,286 14.801,287 14.801,288 14.801,289 14.801,290 11.985,291 28.59,292 5.28,293 15.544,294 4.162,295 2.216,296 1.244,297 0.829,298 0.642,299 0.564,300 4.042,303 1,304 1,305 1,306 599,307 2.915,311 307.357,315 118.097,318 1.457,319 19.562,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 273,332 4.501,333 3.649,334 6.525,335 4.057,336 3.076,337 4.431,338 1.704,339 10.287,340 3.039,341 4.294,342 3.218,343 6.289,344 3.917,345 2.969,346 3.664,347 0.977,348 9.595,349 2.79,350 3.816,351 3.129,352 6.012,353 3.577,354 2.658,355 3.011,356 0.946,357 8.607,358 2.44,359 3.516,360 2.933,361 5.222,362 3.208,363 2.241,364 2.808,365 0.86,366 6.394,367 2.157,368 3.432,369 2.373,370 5.017,371 3.002,372 2.011,373 2.588,374 0.399,375 5.858,376 1.986,377 3.118,378 2.215,379 4.383,380 2.657,381 1.733,382 2.427,383 0.257,384 4.297,385 1.618,386 2.929,387 1.757,388 4.253,389 2.618,390 1.618,391 1.928,392 0.03,393 3.866,394 1.591,395 2.772,396 1.618,397 4.069,398 2.309,399 1.36,400 1.898,402 3.503,403 1.29,404 2.645,405 1.586,406 3.59,407 2.256,408 1.265,409 1.606,411 2.816,412 1.245,413 2.314,414 1.275,415 3.489,416 1.952,417 1.052,418 1.239,420 2.588,421 0.946,422 2.205,423 1.256,424 3.323,425 1.937,426 1,427 1.135,428 2.136,429 0.926,430 2,431 1.006,432 3.247,433 1.888,434 0.899,435 1,436 2.046,437 0.887,438 1.453,439 0.685,440 2.803,441 1.284,442 0.312,443 0.343,445 0.517,446 0.302,447 1.219,448 0.448,449 2.627,450 0.746,451 -0.237,452 -0.287,454 -0.534,455 -0.232,456 1.025,457 -0.009,458 2.537,459 0.635,460 -0.388,461 -0.5,463 -0.99,464 -0.385,465 12.767,466 0.473,467 0.516,468 0.019,469 32.75,470 1.213,471 14.5,472 0.537,473 18.25,474 0.676,475 23.032,476 0.853,477 29.233,478 0.573,479 24.58,480 0.91,481 6.718,482 0.249,483 6.523,484 0.242,485 0.065,487 0.298,493 0.818,494 1.486,495 0.806,496 1.179,497 0.602,498 1.016,499 1.034,500 0.964,501 0.952,502 0.895,503 0.579,504 0.908,505 1.051,506 1.008,507 1.002,508 0.908,509 0.775,510 0.934,511 0.524,512 1.076,513 1.007,514 1.145,515 0.626,516 1.142,517 0.75,518 1.099,519 0.902,520 1.036,521 0.886,522 0.992,523 1.579,524 1.01,525 1.166,526 0.927,527 1.971,528 0.969,529 1.233,530 0.97,531 1.214,532 1.006,533 1.678,534 1.087,535 0.701,536 1.059,537 0.941,538 1.113,539 0.765,540 1.073,541 4.5,542 0.049,543 2.667,544 1.438,545 1.4,546 0.972,547 0.47,548 0.333,549 0.279,550 0.14,551 8764,552 21144,553 2.142,554 47.1,556 20,559 1,561 3,564 1.705,565 2.051,566 3.326,567 -0.346,568 1,569 1,573 77.016,574 1.51,575 3.457,576 4.429,577 4.844,578 5.03,579 5.109,580 2.724,581 4.533,582 4.73,583 3.452,584 1211.68,585 8.229,586 15323.2,588 1,590 1,591 289.294,592 1.218,593 4.706,594 0.15,595 0.003,596 0.065,597 0.033,598 0.035,599 0.024,600 0.012,601 0.01,602 0.01,603 0.006,604 0.349,605 0.17,606 1,607 0.63,608 132.556,609 -0.015,610 -0.274,611 0.074,612 -0.108,613 -0.024,614 -0.022,615 0.091,616 0.172,617 0.009,618 0.085,619 0.125,620 0.036,621 -0.101,622 0.058,623 -0.042,624 0.075,625 -0.054,626 0.034,627 0.157,628 -0.024,629 -0.077,630 -0.141,631 0.038,632 -0.146,633 0.049,634 -0.115,635 0.065,636 -0.056,637 -0.011,638 -0.001,639 -0.259,640 0.011,641 -0.146,642 -0.002,643 -0.228,644 -0.045,645 -0.018,646 0.053,647 -0.218,648 -0.052,649 -0.085,650 -0.143,651 0.03,652 -0.147,653 0.023,654 -0.11,655 0.057,656 -0.054,657 1.981,658 5.188,659 0.815,660 21.558,661 0.998,662 1.129,663 3.264,664 10.655,665 0.658,666 3.434,667 3.738,668 4.025,669 4.304,670 4.554,671 4.564,672 4.682,673 4.754,674 4.836,675 4.796,676 6.046,677 0.623,678 364.49,679 3.434,680 4.963,681 5.814,682 6.688,683 7.556,684 8.436,685 9.31,686 10.191,687 11.067,688 11.949,689 7.8,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 51,733 14,734 2,735 30,737 54,738 21,739 10,740 3,741 7,742 4,746 4,747 5,752 1,761 14,762 7,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 24,782 6,783 1,784 6,790 4,791 1,794 0.75,795 2,812 4,816 1,831 1,836 2,839 1,840 3,844 1,848 27,854 6,855 1,856 1,859 2,870 3.9,873 1,874 1,877 13.167,878 9.35,879 6.028,880 3.239,881 2.916,882 1.389,883 0.997,884 5.415,885 10.404,886 3.676,887 4.227,888 4.8,889 5.369,890 5.902,891 6.112,892 6.439,893 6.758,894 7.113,895 7.032,896 0.857,897 43,898 9.997,900 4.203,901 7.611,902 19.447,904 15.974,905 2.111,906 57,909 1,910 270.735,911 119.506,912 41.045,914 36.145,917 119.506,918 306.88,919 41.045,920 8.825,921 35.618,922 75.81,923 38.473,924 33.694,925 4.276,926 270.735,928 270.735,929 160.551,930 36.145,933 235.422,934 60.458,935 11,937 67.478,938 83.597,939 9.476,941 270.735,942 77.19,943 119.506,946 270.735,947 34.871,948 90.884,949 18.011,950 52.93,951 270.735,952 77.19,953 119.506,955 0.57,956 0.341,957 0.196,958 0.111,959 20,960 8,961 0.093,962 5,963 1,964 1.091,965 3.877,966 235.653,967 0.091,968 22,969 120.382,974 18.021,975 8.113,976 3.994,977 2.464,978 77.19,979 14.742,984 1.237,986 18.011,987 467.431,988 38.5,993 12.188,995 1.974,996 4.164,997 1.2,999 50.898,1000 57.564,1001 0.266,1002 0.609,1003 0.781,1004 0.854,1005 0.887,1006 0.901,1007 4.911,1008 1.36,1009 5.778,1010 3.866,1011 4.419,1012 4.913,1013 2.414,1014 6.575,1015 4.331,1016 6.089,1017 1.265,1018 7.321,1019 3.503,1020 3.892,1021 4.635,1022 1.404,1023 7.434,1024 3.768,1025 7.384,1026 1.052,1027 8.966,1028 2.816,1029 5.989,1030 7.07,1031 2.797,1032 10.549,1033 5.818,1034 8.715,1035 1,1036 10.673,1037 2.588,1038 6.312,1039 7.672,1040 2.494,1041 12.252,1042 6.107,1043 10.081,1044 0.899,1045 12.421,1046 2.136,1047 7.843,1048 9.569,1049 3.523,1050 14.855,1051 7.6,1052 11.472,1053 0.312,1054 14.196,1055 2.046,1056 8.574,1057 10.614,1058 3.599,1059 16.899,1060 8.303,1061 12.882,1062 -0.237,1063 15.99,1064 0.517,1065 9.86,1066 12.276,1067 4.429,1068 19.316,1069 9.556,1070 3.076,1071 -0.388,1072 17.798,1073 -0.534,1074 10.788,1075 13.545,1076 4.706,1077 21.504,1078 10.462,1079 2.969,1080 10.287,1081 19.616,1082 -0.99,1083 11.966,1084 15.103,1085 5.417,1086 23.85,1087 11.614,1088 2.658,1089 9.595,1090 21.441,1091 4.431,1092 12.987,1093 16.483,1094 5.804,1095 26.102,1096 12.616,1097 2.241,1098 8.607,1099 23.273,1100 3.664,1101 14.12,1102 17.996,1103 6.444,1104 28.423,1105 13.728,1106 2.011,1107 6.394,1108 25.109,1109 3.011,1110 15.185,1111 19.429,1112 6.891,1113 30.704,1114 14.777,1115 1.733,1116 5.858,1117 26.949,1118 2.808,1119 16.3,1120 20.924,1121 7.488,1122 33.016,1123 15.875,1124 1.618,1125 4.297,1126 28.792,1127 2.588,1128 17.387,1129 22.383,1130 7.97,1131 35.312,1132 16.947,1133 8253,1134 12949,1135 20.572,1136 33.546,1137 44.624,1138 45.616,1139 45.377,1140 44.363,1141 44.387,1142 56.157,1143 10.347,1144 125.02,1145 42.435,1146 5.501,1147 5.649,1148 6.327,1149 5.16,1150 5.076,1151 7.431,1152 3.024,1153 17.174,1154 5.039,1155 9.204,1156 1.487,1157 1.521,1158 1.513,1159 1.479,1160 1.48,1161 1.872,1162 0.345,1163 4.167,1164 1.415,1165 4.098,1166 4.122,1167 4.05,1168 4.056,1169 7.433,1170 4.051,1171 3.9,1172 3.952,1173 3.849,1174 3.702,1175 4.901,1176 3.731,1177 3.694,1178 3.756,1179 3.581,1180 3.487,1181 4.729,1182 3.498,1183 3.521,1184 3.577,1185 3.418,1186 3.391,1187 4.557,1188 3.388,1189 3.437,1190 3.496,1191 3.303,1192 3.265,1193 4.343,1194 3.265,1195 3.17,1196 3.241,1197 3.008,1198 3.05,1199 4.187,1200 3.033,1201 3.111,1202 3.206,1203 2.92,1204 2.941,1205 3.868,1206 2.91,1207 2.987,1208 3.014,1209 2.866,1210 2.753,1211 3.844,1212 2.788,1213 0.15,1214 0.122,1215 0.218,1216 0.135,1217 0.103,1218 4.501,1219 0.148,1220 3.649,1221 0.057,1222 6.525,1223 0.343,1224 4.057,1225 0.101,1226 3.076,1227 4.431,1228 1.704,1229 10.287,1230 3.039,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.335,1236 2.15,1237 1.799,1238 1.746,1239 1.948,1240 2.023,1241 1.205,1242 2.001,1243 1.639,1244 1.578,1245 1.869,1246 1.875,1247 1.07,1248 1.873,1249 1.495,1250 1.453,1251 1.685,1252 1.699,1253 0.825,1254 1.695,1255 1.434,1256 1.364,1257 1.659,1258 1.597,1259 0.792,1260 1.629,1261 1.187,1262 1.127,1263 1.513,1264 1.376,1265 0.712,1266 1.429,1267 1.153,1268 1.064,1269 1.441,1270 1.373,1271 0.576,1272 1.402,1273 0.896,1274 0.848,1275 1.164,1276 1.168,1277 0.263,1278 1.135,1279 4.111,1281 5.416,1283 6.934,1285 8.547,1287 10.207,1289 2.096,1295 4.345,1296 2.907,1297 5.404,1300 4.281,1305 31.783,1306 77.016,1307 176.284,1308 225.868,1309 247.029,1310 256.539,1311 260.539,1312 35.895,1313 7.488,1314 61.46,1315 61.46,1316 24,1317 12.484,1318 3.907,1319 3.248,1320 40.035,1321 97,1322 95,1323 0.199,1324 194.387,1325 341.08,1326 466.063,1327 18712,1329 18.64,1330 0.69,1331 0.575,1332 18.64,1333 15.52,1334 13.242,1335 0.441,1336 0.313,1337 9.258,1338 12.699,1339 9.059,1340 7.471,1341 13.242,1342 9.4,1343 11.534,1344 0.281,1345 0.163,1346 11.534,1347 6.682,1348 9.852,1349 0.179,1350 0.091,1351 9.852,1352 5.016,1353 8.532,1354 0.117,1355 0.049,1356 8.532,1357 3.56,1358 7.15,1359 0.076,1360 0.026,1361 7.15,1362 2.464,1363 0.307,1364 82.993,1365 0.22,1366 25.664,1367 0.559,1368 142,1369 392.739,1370 156.307,1371 376.484,1372 521.23,1373 356,1374 167,1375 384.977,1376 181.088,1377 388.514,1378 572.24,1379 367,1380 4.082}
{0 CHEMBL2165179,1 1.505,2 10.071,3 3.397,4 11.538,5 108.731,6 7.24,7 0.344,8 4.066,9 4.188,10 3.63,11 3.6,12 5.072,13 3.583,14 4.624,15 4.804,16 3.946,17 3.972,18 5.634,19 3.926,20 4.851,21 5.073,22 4.003,23 4.136,24 5.737,25 4.061,26 4.891,27 5.11,28 3.999,29 4.186,30 5.794,31 4.081,32 4.999,33 5.247,34 4.02,35 4.199,36 5.867,37 4.095,38 4.975,39 5.204,40 4.033,41 4.143,42 5.962,43 4.073,44 4.917,45 5.137,46 3.929,47 4.122,48 5.941,49 4.028,50 4.9,51 5.154,52 3.725,53 4.07,54 5.725,55 3.918,56 0.017,57 0.791,58 11.135,59 4.685,60 5.942,61 6.326,62 0.354,63 1.288,64 21.743,65 7.707,66 30.693,67 10.657,68 0.35,69 1.543,70 28.492,71 9.734,72 28.156,73 13.937,74 0.323,75 1.629,76 28.867,77 11.068,78 28.736,79 15.815,80 0.297,81 1.716,82 33.675,83 11.869,84 37.587,85 17.322,86 0.402,87 1.667,88 33.22,89 10.352,90 49.121,91 14.718,92 0.596,93 1.569,94 31.154,95 10.167,96 64.377,97 14.319,98 0.194,99 1.485,100 30.582,101 11.728,102 33.46,103 16.777,104 2,105 45,106 0.25,107 0.589,108 0.753,109 0.803,110 0.833,111 0.846,112 3.376,113 0.933,114 -4.71,115 -4.63,116 -4.35,119 42.3,121 2,125 5,127 1,135 1,139 1,142 7,143 3,158 1,159 1,172 12,174 2,175 6,178 3,180 1,183 14,186 1,187 2,195 12,198 4,199 4,202 1,204 3,207 11,211 1,212 4,217 2,220 8,224 10,229 3,232 9,236 2,237 6,240 1,242 3,245 9,250 9,255 1,258 3,263 12,275 1244,276 19.516,277 19.516,278 19.516,279 19.516,280 19.516,281 17.709,282 23.391,283 11.637,284 19.974,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 13.055,291 32.857,292 5.572,293 16.597,294 4.195,295 2.159,296 1.176,297 0.875,298 0.692,299 0.615,300 4.082,303 1,304 1,305 1,306 634,307 2.828,308 48.643,311 319.24,315 122.779,318 1.439,319 20.628,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 282,332 4.505,333 3.658,334 6.612,335 4.109,336 3.152,337 4.431,338 1.704,339 10.612,340 3.055,341 4.322,342 3.329,343 6.456,344 3.968,345 2.991,346 3.677,347 0.977,348 10.035,349 2.887,350 3.973,351 3.129,352 6.156,353 3.764,354 2.827,355 3.112,356 0.946,357 9.122,358 2.648,359 3.537,360 3.03,361 5.397,362 3.328,363 2.376,364 2.848,365 0.86,366 6.91,367 2.247,368 3.477,369 2.412,370 5.206,371 3.114,372 2.122,373 2.614,374 0.399,375 6.283,376 2.103,377 3.323,378 2.311,379 4.903,380 2.923,381 1.939,382 2.427,383 0.257,384 5.548,385 1.896,386 3.118,387 2.212,388 4.361,389 2.64,390 1.727,391 2.402,392 0.03,393 4.255,394 1.618,395 2.9,396 1.702,397 4.208,398 2.618,399 1.618,400 1.906,402 3.826,403 1.567,404 2.77,405 1.618,406 3.954,407 2.277,408 1.279,409 1.886,411 3.09,412 1.276,413 2.452,414 1.364,415 3.588,416 2.102,417 1.154,418 1.419,420 2.779,421 1.089,422 2.223,423 1.256,424 3.489,425 1.952,426 1.032,427 1.165,428 2.574,429 0.946,430 2.112,431 1.252,432 3.313,433 1.937,434 1,435 1,436 2.136,437 0.926,438 2,439 0.897,440 3.247,441 1.737,442 0.768,443 0.978,445 1.905,446 0.743,447 1.243,448 0.674,449 2.793,450 0.895,451 -0.087,452 -0.104,454 -0.224,455 -0.085,456 1.158,457 0.129,458 2.618,459 0.643,460 -0.383,461 -0.494,463 -0.983,464 -0.382,465 13.267,466 0.474,467 0.568,468 0.02,469 33.75,470 1.205,471 14.5,472 0.518,473 19.25,474 0.688,475 24.278,476 0.867,477 29.933,478 0.576,479 24.733,480 0.883,481 6.671,482 0.238,483 7.105,484 0.254,485 0.025,487 0.324,493 0.805,494 1.424,495 0.783,496 1.13,497 0.569,498 0.977,499 1.019,500 1.05,501 0.994,502 0.978,503 0.567,504 0.982,505 1.067,506 0.952,507 0.976,508 0.849,509 0.775,510 0.883,511 0.519,512 1.103,513 1.007,514 1.157,515 0.624,516 1.149,517 0.76,518 1.057,519 0.894,520 0.998,521 0.889,522 0.963,523 1.507,524 1.042,525 1.093,526 0.931,527 1.926,528 0.943,529 1.309,530 0.917,531 1.219,532 0.953,533 1.789,534 1.048,535 0.693,536 1.113,537 1.013,538 1.193,539 0.736,540 1.159,541 4.5,542 0.049,543 2.5,544 1.438,545 1.285,546 0.896,547 0.532,548 0.319,549 0.253,550 0.131,551 9993,552 23085,553 2.223,554 46.2,556 19,559 1,561 4,564 1.716,565 2.154,566 3.307,567 -0.358,568 1,569 1,573 78.276,574 1.505,575 3.542,576 4.524,577 4.825,578 5.008,579 5.085,580 2.72,581 4.379,582 4.782,583 3.44,584 1300.26,585 8.344,586 16754,588 1,590 1,591 296.423,592 1.108,593 4.769,594 0.141,595 0.003,596 0.06,597 0.032,598 0.03,599 0.02,600 0.012,601 0.008,602 0.008,603 0.005,604 0.319,605 0.17,606 0.88,607 0.343,608 138.553,609 -0.015,610 -0.234,611 0.081,612 -0.079,614 -0.001,615 0.093,616 0.077,617 -0.045,618 -0.006,619 0.133,620 -0.047,621 -0.103,622 0.105,623 -0.013,624 0.122,625 -0.05,626 0.078,627 0.16,628 -0.05,629 -0.083,630 -0.156,631 0.039,632 -0.159,633 0.041,634 -0.067,635 0.074,636 -0.017,637 -0.022,638 0.027,639 -0.215,640 -0.015,641 -0.082,642 0.004,643 -0.216,644 -0.012,645 -0.057,646 0.117,647 -0.224,648 -0.001,649 -0.109,650 -0.111,651 0.013,652 -0.185,653 -0.058,654 -0.178,655 0.053,656 -0.136,657 1.956,658 5.315,659 0.893,660 22.112,661 0.998,662 1.126,663 3.483,664 12.131,665 0.664,666 3.497,667 3.829,668 4.094,669 4.394,670 4.654,671 4.71,672 4.868,673 4.956,674 5.043,675 4.99,676 6.028,677 0.63,678 376.5,679 3.497,680 5.043,681 5.911,682 6.799,683 7.682,684 8.576,685 9.466,686 10.362,687 11.255,688 12.153,689 7.7,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 52,733 14,734 2,735 32,737 56,738 22,739 10,740 3,741 7,742 4,746 5,747 6,755 3,758 3,761 14,762 8,766 3,771 1,773 1,774 1,775 3,778 1,781 24,782 6,783 1,784 6,790 4,791 1,794 0.8,795 2,809 1,812 4,816 1,831 1,836 2,839 1,840 4,848 28,854 7,855 1,856 1,858 1,859 2,870 3.8,873 1,874 1,877 13,878 9.183,879 6.056,880 3.289,881 2.844,882 1.374,883 1.021,884 4.79,885 10.445,886 3.726,887 4.284,888 4.832,889 5.405,890 5.939,891 6.172,892 6.523,893 6.854,894 7.211,895 7.153,896 0.857,897 45,898 10.399,900 4.509,901 7.565,902 20.422,904 17.513,905 2.065,906 57.833,908 1,909 1,910 270.735,911 113.644,912 41.045,914 36.145,917 113.644,918 306.88,919 41.045,921 38.582,922 75.81,923 38.473,924 33.694,925 4.276,926 270.735,928 270.735,929 154.689,930 36.145,933 223.651,934 72.229,935 11,937 61.616,938 83.597,939 9.476,941 270.735,942 77.19,943 113.644,946 270.735,947 37.834,948 82.059,949 18.011,950 52.93,951 270.735,952 77.19,953 113.644,955 0.579,956 0.328,957 0.189,958 0.107,959 24,960 9,961 0.089,962 5,963 1,964 1.08,965 4.037,966 257.637,967 0.08,968 25,969 126.606,974 17.716,975 7.571,976 3.943,977 2.508,978 77.19,979 14.898,984 1.274,986 18.011,987 461.569,988 40.5,993 12.315,995 2.024,996 4.209,997 1.31,999 51.898,1000 58.564,1001 0.264,1002 0.621,1003 0.794,1004 0.846,1005 0.879,1006 0.892,1007 4.982,1008 1.618,1009 5.883,1010 4.255,1011 4.511,1012 4.97,1013 2.414,1014 6.703,1015 4.429,1016 6.172,1017 1.279,1018 7.441,1019 3.826,1020 4.111,1021 4.745,1022 1.404,1023 7.644,1024 4.002,1025 7.476,1026 1.154,1027 9.103,1028 3.09,1029 6.12,1030 7.117,1031 2.797,1032 10.739,1033 5.957,1034 8.811,1035 1.032,1036 10.826,1037 2.779,1038 6.524,1039 7.731,1040 2.494,1041 12.495,1042 6.33,1043 10.179,1044 1,1045 12.588,1046 2.574,1047 8.017,1048 9.603,1049 3.523,1050 15.11,1051 7.777,1052 11.571,1053 0.768,1054 14.378,1055 2.136,1056 8.798,1057 10.647,1058 3.599,1059 17.195,1060 8.527,1061 12.981,1062 -0.087,1063 16.186,1064 1.905,1065 10.072,1066 12.298,1067 4.429,1068 19.636,1069 9.761,1070 3.152,1071 -0.383,1072 18.008,1073 -0.224,1074 11.035,1075 13.565,1076 4.706,1077 21.862,1078 10.692,1079 2.991,1080 10.612,1081 19.84,1082 -0.983,1083 12.216,1084 15.118,1085 5.417,1086 24.236,1087 11.837,1088 2.827,1089 10.035,1090 21.68,1091 4.431,1092 13.263,1093 16.495,1094 5.804,1095 26.523,1096 12.853,1097 2.376,1098 9.122,1099 23.526,1100 3.677,1101 14.406,1102 18.005,1103 6.444,1104 28.873,1105 13.963,1106 2.122,1107 6.91,1108 25.378,1109 3.112,1110 15.493,1111 19.437,1112 6.891,1113 31.187,1114 15.019,1115 1.939,1116 6.283,1117 27.233,1118 2.848,1119 16.623,1120 20.931,1121 7.488,1122 33.529,1123 16.117,1124 1.727,1125 5.548,1126 29.091,1127 2.614,1128 17.729,1129 22.389,1130 7.97,1131 35.857,1132 17.194,1133 9150,1134 14034,1135 22.364,1136 34.546,1137 48.518,1138 49.547,1139 48.655,1140 47.915,1141 47.974,1142 59.73,1143 10.347,1144 138.149,1145 46.005,1146 5.505,1147 5.658,1148 6.414,1149 5.213,1150 5.152,1151 7.431,1152 3.024,1153 17.572,1154 5.055,1155 6.641,1156 1.516,1157 1.548,1158 1.52,1159 1.497,1160 1.499,1161 1.867,1162 0.323,1163 4.317,1164 1.438,1165 4.106,1166 4.133,1167 4.056,1168 4.059,1169 7.433,1170 4.055,1171 3.942,1172 3.991,1173 3.879,1174 3.799,1175 4.901,1176 3.806,1177 3.818,1178 3.875,1179 3.713,1180 3.633,1181 4.731,1182 3.65,1183 3.627,1184 3.677,1185 3.524,1186 3.427,1187 4.56,1188 3.435,1189 3.483,1190 3.528,1191 3.379,1192 3.389,1193 4.353,1194 3.387,1195 3.222,1196 3.283,1197 3.109,1198 3.089,1199 4.279,1200 3.083,1201 3.111,1202 3.206,1203 2.929,1204 2.941,1205 3.946,1206 2.91,1207 2.991,1208 3.015,1209 2.866,1210 2.772,1211 3.844,1212 2.808,1213 0.141,1214 0.114,1215 0.207,1216 0.128,1217 0.099,1218 4.505,1219 0.138,1220 3.658,1221 0.053,1222 6.612,1223 0.332,1224 4.109,1225 0.095,1226 3.152,1227 4.431,1228 1.704,1229 10.612,1230 3.055,1231 2.081,1232 2.063,1233 2.166,1234 2.137,1235 1.333,1236 2.148,1237 1.791,1238 1.74,1239 1.941,1240 2.018,1241 1.205,1242 1.995,1243 1.61,1244 1.556,1245 1.779,1246 1.846,1247 1,1248 1.829,1249 1.494,1250 1.453,1251 1.666,1252 1.638,1253 0.825,1254 1.649,1255 1.291,1256 1.234,1257 1.513,1258 1.502,1259 0.825,1260 1.505,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.732,1266 1.429,1267 1.153,1268 1.064,1269 1.495,1270 1.376,1271 0.659,1272 1.429,1273 1.058,1274 1.004,1275 1.316,1276 1.218,1277 0.557,1278 1.254,1279 4.174,1280 1.946,1281 5.501,1282 3.714,1283 7.038,1284 5.476,1285 8.666,1286 7.252,1287 10.341,1295 5.96,1296 2.978,1297 5.431,1299 0.467,1300 4.458,1305 32.783,1306 78.276,1307 184.168,1308 235.262,1309 250.913,1310 260.423,1311 264.423,1312 35.792,1313 7.601,1314 61.46,1315 61.46,1316 27,1317 12.677,1318 3.907,1319 3.248,1320 37.424,1321 99,1322 102,1323 0.18,1324 196.585,1325 346.02,1326 471.429,1327 20601,1329 18.924,1330 0.676,1331 0.564,1332 18.924,1333 15.804,1334 13.776,1335 0.43,1336 0.311,1337 9.811,1338 13.246,1339 9.653,1340 7.893,1341 13.776,1342 9.952,1343 12.367,1344 0.275,1345 0.167,1346 12.367,1347 7.527,1348 10.175,1349 0.172,1350 0.09,1351 10.175,1352 5.281,1353 8.963,1354 0.112,1355 0.048,1356 8.963,1357 3.878,1358 7.53,1359 0.072,1360 0.026,1361 7.53,1362 2.695,1363 0.276,1364 86.162,1365 0.211,1366 26.34,1367 0.511,1368 154,1369 404.739,1370 168.64,1371 388.529,1372 541.91,1373 368,1374 184,1375 404.329,1376 198.588,1377 407.68,1378 603.61,1379 386,1380 4.119}
{0 CHEMBL2165180,1 1.565,2 10.107,3 2.368,4 5.606,5 107.813,6 7.317,7 0.355,8 4.06,9 4.179,10 3.612,11 3.551,12 5.133,13 3.544,14 4.614,15 4.791,16 3.947,17 3.944,18 5.681,19 3.91,20 4.858,21 5.074,22 3.999,23 4.12,24 5.798,25 4.047,26 4.902,27 5.129,28 3.988,29 4.152,30 5.836,31 4.052,32 4.99,33 5.231,34 4.024,35 4.149,36 5.96,37 4.058,38 4.982,39 5.209,40 4.014,41 4.088,42 6.052,43 4.033,44 4.924,45 5.135,46 3.995,47 4.067,48 6.132,49 3.995,50 4.92,51 5.172,52 3.802,53 4.011,54 5.899,55 3.897,56 0.049,57 0.779,58 11.09,59 4.555,60 8.953,61 6.089,62 0.419,63 1.252,64 21.618,65 7.448,66 35.64,67 10.204,68 0.456,69 1.521,70 28.697,71 9.678,72 34.822,73 13.883,74 0.38,75 1.596,76 29.596,77 10.888,78 31.305,79 15.716,80 0.412,81 1.637,82 33.596,83 11.321,84 49.321,85 16.571,86 0.551,87 1.592,88 33.98,89 9.753,90 65.128,91 13.954,92 0.794,93 1.495,94 31.634,95 9.912,96 94.265,97 14.029,98 0.34,99 1.422,100 32.088,101 11.005,102 52.405,103 15.74,104 7,105 42,106 0.261,107 0.597,108 0.731,109 0.807,110 0.856,111 0.868,112 3.375,113 0.92,114 -3.74,115 -3.7,116 -3.52,119 40.4,125 7,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 2,175 4,178 3,180 1,183 14,186 1,187 2,190 1,195 12,198 4,199 4,202 1,204 1,207 7,211 1,212 4,216 1,217 4,220 4,224 4,229 5,232 3,236 2,237 6,240 4,242 6,245 3,250 9,255 4,258 1,263 10,268 1,275 1268,276 19.438,277 19.438,278 19.438,279 19.438,280 19.438,281 17.631,282 21.12,283 11.851,284 19.944,285 15.339,286 15.339,287 15.339,288 15.339,289 15.339,290 12.523,291 27.818,292 5.584,293 16.139,294 4.135,295 2.124,296 1.326,297 0.866,298 0.577,299 0.5,300 4.077,303 1,304 1,305 1,306 618,307 3.082,311 323.339,315 124.264,318 1.408,319 25.247,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 283,332 4.501,333 3.649,334 6.526,335 4.058,336 3.078,337 4.431,338 1.704,339 10.29,340 3.039,341 4.294,342 3.221,343 6.292,344 3.918,345 2.969,346 3.664,347 0.977,348 9.608,349 2.791,350 3.821,351 3.129,352 6.016,353 3.582,354 2.663,355 3.014,356 0.946,357 8.638,358 2.445,359 3.516,360 2.939,361 5.222,362 3.211,363 2.245,364 2.81,365 0.86,366 6.4,367 2.159,368 3.433,369 2.374,370 5.021,371 3.006,372 2.015,373 2.589,374 0.399,375 5.877,376 1.989,377 3.118,378 2.215,379 4.39,380 2.661,381 1.734,382 2.427,383 0.257,384 4.315,385 1.618,386 2.935,387 1.848,388 4.266,389 2.618,390 1.618,391 1.935,392 0.03,393 3.9,394 1.598,395 2.774,396 1.675,397 4.093,398 2.395,399 1.461,400 1.899,402 3.636,403 1.354,404 2.701,405 1.618,406 3.592,407 2.271,408 1.272,409 1.67,411 2.826,412 1.27,413 2.352,414 1.369,415 3.489,416 1.991,417 1.078,418 1.3,420 2.595,421 0.982,422 2.211,423 1.261,424 3.349,425 1.952,426 1,427 1.151,428 2.172,429 0.946,430 2,431 1.256,432 3.247,433 1.937,434 1,435 1,436 2.136,437 0.926,438 1.926,439 0.939,440 3.051,441 1.658,442 0.72,443 0.844,445 1.418,446 0.671,447 1.243,448 0.677,449 2.734,450 0.876,451 -0.087,452 -0.105,454 -0.194,455 -0.083,456 1.157,457 0.215,458 2.554,459 0.642,460 -0.383,461 -0.495,463 -0.969,464 -0.382,465 13.1,466 0.468,467 0.516,468 0.018,469 33.5,470 1.196,471 14.5,472 0.518,473 19,474 0.679,475 23.822,476 0.851,477 30.7,478 0.59,479 26.365,480 0.942,481 7.029,482 0.251,483 6.712,484 0.24,485 0.051,487 0.29,493 0.879,494 1.473,495 0.804,496 1.162,497 0.729,498 0.997,499 1.036,500 0.982,501 0.988,502 0.914,503 0.695,504 0.936,505 0.939,506 1.007,507 1.001,508 0.912,509 0.748,510 0.952,511 0.508,512 1.065,513 0.958,514 1.127,515 0.555,516 1.116,517 0.766,518 1.118,519 0.899,520 1.055,521 0.879,522 1.006,523 1.503,524 1.011,525 1.142,526 0.924,527 1.736,528 0.949,529 1.057,530 0.989,531 1.115,532 1.023,533 1.333,534 1.066,535 0.93,536 1.058,537 0.959,538 1.104,539 1.019,540 1.05,541 4.5,542 0.062,543 2.667,544 1.438,545 1.4,546 0.972,547 0.531,548 0.377,549 0.312,550 0.166,551 9465,552 24645,553 2.137,554 46.2,556 22,559 2,564 1.716,565 2.049,566 3.319,567 0.247,568 1,569 1,573 81.39,574 1.565,575 3.576,576 4.375,577 4.835,578 5.124,579 5.2,580 2.71,581 4.307,582 4.782,583 3.449,584 1303.7,585 8.345,586 16974.5,588 1,590 1,591 296.423,592 1.198,593 4.76,594 0.145,595 0.003,596 0.063,597 0.033,598 0.033,599 0.023,600 0.013,601 0.009,602 0.009,603 0.006,604 0.339,605 0.33,606 1,607 0.787,608 138.904,609 -0.067,610 -0.251,611 0.054,612 -0.076,613 -0.066,614 -0.006,615 0.002,616 0.166,617 -0.05,618 0.078,619 0.027,620 0.008,621 -0.067,622 0.061,623 -0.056,624 0.078,625 -0.059,626 0.023,627 0.127,628 -0.005,629 -0.04,630 -0.117,631 0.034,632 -0.112,633 0.056,634 -0.125,635 0.063,636 -0.07,638 -0.013,639 -0.255,640 0.011,641 -0.127,643 -0.22,644 -0.027,645 0.153,646 0.033,647 -0.119,648 -0.067,649 0.149,650 -0.126,651 -0.027,652 -0.138,653 0.024,654 -0.111,655 0.021,656 -0.044,657 2.056,658 5.214,659 0.786,660 22.908,661 1.004,662 1.13,663 2.505,664 6.275,665 0.654,666 3.466,667 3.761,668 4.043,669 4.331,670 4.585,671 4.605,672 4.745,673 4.82,674 4.913,675 4.868,676 6.097,677 0.625,678 380.49,679 3.466,680 4.99,681 5.838,682 6.711,683 7.577,684 8.457,685 9.33,686 10.212,687 11.089,688 11.971,689 7.7,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 52,733 14,734 2,735 31,737 55,738 21,739 10,740 3,741 7,742 4,746 4,747 5,752 1,761 14,762 7,766 3,771 1,773 1,774 1,775 3,778 1,781 24,782 7,783 2,784 7,790 4,791 1,794 0.75,795 3,796 1,812 4,816 1,831 1,836 2,838 1,839 1,840 3,848 28,853 1,854 7,855 1,856 1,859 2,870 5.8,871 1,873 1,874 1,877 13.667,878 9.05,879 6.278,880 3.089,881 2.89,882 1.384,883 0.972,884 5.908,885 10.418,886 3.701,887 4.241,888 4.808,889 5.378,890 5.913,891 6.125,892 6.464,893 6.785,894 7.145,895 7.072,896 0.857,897 44,898 10.377,900 4.39,901 7.732,902 19.965,904 16.397,905 2.232,906 62.5,909 1,910 258.964,911 110.681,912 41.045,914 78.828,917 110.681,918 337.792,919 41.045,921 35.618,922 118.493,923 38.473,924 33.694,925 4.276,926 258.964,928 258.964,929 151.726,930 78.828,933 258.964,934 25.145,935 53.683,937 58.652,938 83.597,939 9.476,941 258.964,942 119.873,943 110.681,946 258.964,947 34.871,948 82.059,949 18.011,950 95.614,951 258.964,952 119.873,953 110.681,955 0.565,956 0.333,957 0.196,958 0.114,959 20,960 8,961 0.109,962 6,963 1,964 1.091,965 3.947,966 247.59,967 0.091,968 22,969 128.606,974 18.937,975 8.735,976 4.38,977 2.332,978 119.873,979 14.411,984 1.136,986 60.694,987 489.518,988 39.5,993 12.214,995 1.882,996 4.127,997 0.909,999 52.225,1000 58.773,1001 0.275,1002 0.627,1003 0.767,1004 0.848,1005 0.899,1006 0.912,1007 4.933,1008 1.461,1009 5.796,1010 3.9,1011 4.443,1012 4.927,1013 2.414,1014 6.589,1015 4.352,1016 6.105,1017 1.272,1018 7.334,1019 3.636,1020 3.892,1021 4.635,1022 1.404,1023 7.434,1024 3.768,1025 7.396,1026 1.078,1027 8.975,1028 2.826,1029 6.004,1030 7.075,1031 2.797,1032 10.559,1033 5.83,1034 8.723,1035 1,1036 10.68,1037 2.595,1038 6.312,1039 7.672,1040 2.494,1041 12.257,1042 6.107,1043 10.087,1044 1,1045 12.427,1046 2.172,1047 7.854,1048 9.571,1049 3.523,1050 14.864,1051 7.607,1052 11.477,1053 0.72,1054 14.201,1055 2.136,1056 8.577,1057 10.614,1058 3.599,1059 16.907,1060 8.305,1061 12.886,1062 -0.087,1063 15.994,1064 1.418,1065 9.867,1066 12.277,1067 4.429,1068 19.325,1069 9.561,1070 3.078,1071 -0.383,1072 17.802,1073 -0.194,1074 10.792,1075 13.545,1076 4.706,1077 21.513,1078 10.464,1079 2.969,1080 10.29,1081 19.62,1082 -0.969,1083 11.973,1084 15.103,1085 5.417,1086 23.86,1087 11.618,1088 2.663,1089 9.608,1090 21.445,1091 4.431,1092 12.993,1093 16.483,1094 5.804,1095 26.113,1096 12.619,1097 2.245,1098 8.638,1099 23.277,1100 3.664,1101 14.127,1102 17.996,1103 6.444,1104 28.433,1105 13.732,1106 2.015,1107 6.4,1108 25.113,1109 3.014,1110 15.192,1111 19.429,1112 6.891,1113 30.715,1114 14.78,1115 1.734,1116 5.877,1117 26.953,1118 2.81,1119 16.307,1120 20.924,1121 7.488,1122 33.027,1123 15.878,1124 1.618,1125 4.315,1126 28.796,1127 2.589,1128 17.394,1129 22.384,1130 7.97,1131 35.324,1132 16.95,1133 8955,1134 14565,1135 21.266,1136 34,1137 46.034,1138 47.164,1139 46.705,1140 45.689,1141 45.708,1142 57.465,1143 10.347,1144 127.621,1145 43.577,1146 5.501,1147 5.649,1148 6.328,1149 5.161,1150 5.078,1151 7.431,1152 3.024,1153 17.178,1154 5.039,1155 9.581,1156 1.485,1157 1.521,1158 1.507,1159 1.474,1160 1.474,1161 1.854,1162 0.334,1163 4.117,1164 1.406,1165 4.098,1166 4.122,1167 4.05,1168 4.056,1169 7.433,1170 4.051,1171 3.9,1172 3.952,1173 3.85,1174 3.702,1175 6.456,1176 3.731,1177 3.697,1178 3.756,1179 3.584,1180 3.487,1181 4.9,1182 3.499,1183 3.529,1184 3.58,1185 3.427,1186 3.391,1187 4.728,1188 3.388,1189 3.451,1190 3.499,1191 3.328,1192 3.265,1193 4.555,1194 3.276,1195 3.194,1196 3.251,1197 3.058,1198 3.052,1199 4.34,1200 3.042,1201 3.111,1202 3.206,1203 2.928,1204 2.941,1205 4.121,1206 2.91,1207 2.992,1208 3.016,1209 2.866,1210 2.756,1211 3.844,1212 2.795,1213 0.145,1214 0.118,1215 0.211,1216 0.131,1217 0.099,1218 4.501,1219 0.143,1220 3.649,1221 0.055,1222 6.526,1223 0.332,1224 4.058,1225 0.098,1226 3.078,1227 4.431,1228 1.704,1229 10.29,1230 3.039,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.335,1236 2.15,1237 1.798,1238 1.746,1239 1.945,1240 2.023,1241 1.205,1242 2,1243 1.636,1244 1.577,1245 1.842,1246 1.876,1247 1.079,1248 1.868,1249 1.495,1250 1.453,1251 1.671,1252 1.705,1253 0.825,1254 1.689,1255 1.422,1256 1.365,1257 1.64,1258 1.601,1259 0.791,1260 1.626,1261 1.183,1262 1.129,1263 1.513,1264 1.388,1265 0.711,1266 1.429,1267 1.153,1268 1.064,1269 1.432,1270 1.376,1271 0.575,1272 1.401,1273 0.895,1274 0.851,1275 1.159,1276 1.168,1277 0.258,1278 1.136,1279 4.143,1281 5.442,1283 6.954,1285 8.562,1287 10.22,1294 9.6,1295 3.636,1296 2.83,1297 5.389,1300 4.034,1305 32.498,1306 81.39,1307 185.959,1308 227.487,1309 251.403,1310 266.423,1311 270.423,1312 42.542,1313 7.528,1314 81.69,1315 81.69,1316 24,1317 12.506,1318 3.907,1319 3.248,1320 42.15,1321 100,1322 102,1323 0.2,1324 198.383,1325 349.87,1326 475.814,1327 19365,1329 19.347,1330 0.691,1331 0.56,1332 19.347,1333 15.674,1334 13.742,1335 0.443,1336 0.307,1337 9.346,1338 13.119,1339 9.197,1340 7.537,1341 13.742,1342 9.509,1343 11.914,1344 0.284,1345 0.162,1346 11.914,1347 6.813,1348 9.987,1349 0.178,1350 0.089,1351 9.987,1352 5.004,1353 8.757,1354 0.117,1355 0.048,1356 8.757,1357 3.598,1358 7.385,1359 0.076,1360 0.026,1361 7.385,1362 2.493,1363 0.308,1364 86.7,1365 0.217,1366 26.403,1367 0.567,1368 146,1369 428.889,1370 161.746,1371 406.701,1372 554.65,1373 384,1374 171,1375 398.492,1376 186.307,1377 401.635,1378 591.03,1379 379,1380 4.511}
{0 CHEMBL2165181,1 1.544,2 10.138,3 2.43,4 5.905,5 112.678,6 7.173,7 0.344,8 4.108,9 4.23,10 3.643,11 3.6,12 5.163,13 3.588,14 4.669,15 4.849,16 3.973,17 3.994,18 5.712,19 3.952,20 4.92,21 5.144,22 4.023,23 4.166,24 5.828,25 4.086,26 4.966,27 5.201,28 4.012,29 4.197,30 5.885,31 4.09,32 5.028,33 5.273,34 4.056,35 4.211,36 5.932,37 4.113,38 5.057,39 5.287,40 4.076,41 4.187,42 6.097,43 4.118,44 5.031,45 5.25,46 4.065,47 4.196,48 6.104,49 4.114,50 5.06,51 5.307,52 3.97,53 4.166,54 6.12,55 4.05,56 0.038,57 0.817,58 12.025,59 4.886,60 8.995,61 6.631,62 0.409,63 1.315,64 23.263,65 8.031,66 36.419,67 11.17,68 0.398,69 1.602,70 30.95,71 10.397,72 35.501,73 15.125,74 0.474,75 1.678,76 32.33,77 11.482,78 39.656,79 16.783,80 0.309,81 1.729,82 34.759,83 11.93,84 39.43,85 17.705,86 0.581,87 1.733,88 36.715,89 10.76,90 69.28,91 15.693,92 0.612,93 1.687,94 35.245,95 11.356,96 68.778,97 16.242,98 0.545,99 1.648,100 36.917,101 12.534,102 83.531,103 18.109,104 8,105 43,106 0.255,107 0.591,108 0.75,109 0.83,110 0.859,111 0.871,112 3.409,113 0.938,114 -3.95,115 -3.91,116 -3.71,119 40,121 1,125 7,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 2,175 5,178 3,180 2,183 14,186 1,187 2,195 12,198 4,199 4,202 2,204 2,207 9,211 1,212 4,217 2,220 6,224 7,228 1,229 5,232 6,236 2,237 6,240 1,242 5,245 6,250 9,253 3,255 4,258 2,263 11,268 3,275 1452,276 20.146,277 20.146,278 20.146,279 20.146,280 20.146,281 18.338,282 22.888,283 12.376,284 20.648,285 15.839,286 15.839,287 15.839,288 15.839,289 15.839,290 13.023,291 30.295,292 5.88,293 16.634,294 4.238,295 2.203,296 1.24,297 0.755,298 0.582,299 0.509,300 4.11,304 1,305 1,306 639,307 3.24,311 339.945,315 130.706,318 1.394,319 25.691,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 63,331 294,332 4.501,333 3.649,334 6.526,335 4.058,336 3.078,337 4.431,338 1.704,339 10.291,340 3.039,341 4.294,342 3.221,343 6.292,344 3.918,345 2.969,346 3.664,347 0.977,348 9.609,349 2.792,350 3.821,351 3.129,352 6.017,353 3.584,354 2.665,355 3.014,356 0.946,357 8.64,358 2.448,359 3.516,360 2.938,361 5.222,362 3.213,363 2.246,364 2.81,365 0.86,366 6.401,367 2.16,368 3.433,369 2.374,370 5.022,371 3.008,372 2.016,373 2.589,374 0.399,375 5.88,376 1.993,377 3.118,378 2.215,379 4.392,380 2.668,381 1.736,382 2.427,383 0.257,384 4.322,385 1.618,386 2.94,387 1.876,388 4.27,389 2.618,390 1.618,391 1.94,392 0.03,393 3.924,394 1.614,395 2.777,396 1.702,397 4.1,398 2.526,399 1.579,400 1.899,402 3.688,403 1.481,404 2.741,405 1.618,406 3.595,407 2.276,408 1.279,409 1.723,411 2.84,412 1.275,413 2.412,414 1.504,415 3.49,416 2.127,417 1.185,418 1.386,420 2.613,421 1.109,422 2.229,423 1.273,424 3.425,425 1.952,426 1.041,427 1.173,428 2.457,429 0.946,430 2.166,431 1.256,432 3.251,433 1.937,434 1,435 1.067,436 2.136,437 0.926,438 2,439 0.998,440 3.247,441 1.809,442 0.842,443 1,445 1.899,446 0.811,447 1.349,448 0.687,449 2.761,450 1.149,451 0.222,452 0.239,454 0.392,455 0.203,456 1.215,457 0.54,458 2.566,459 0.752,460 -0.213,461 -0.255,463 -0.482,464 -0.204,465 13.6,466 0.469,467 0.516,468 0.018,469 34,470 1.172,471 14.5,472 0.5,473 19.5,474 0.672,475 25.806,476 0.89,477 32,478 0.582,479 26.868,480 0.926,481 7.035,482 0.243,483 7.207,484 0.249,485 0.049,487 0.279,493 0.875,494 1.475,495 0.823,496 1.176,497 0.726,498 1.016,499 1.024,500 1.005,501 1,502 0.945,503 0.688,504 0.963,505 0.96,506 1.042,507 0.989,508 0.933,509 0.746,510 0.954,511 0.557,512 1,513 0.97,514 1.05,515 0.625,516 1.07,517 0.68,518 1.15,519 0.88,520 1.069,521 0.731,522 1.01,523 1.403,524 0.993,525 1.136,526 0.917,527 1.617,528 0.959,529 1.129,530 1.04,531 1.112,532 1.043,533 1.399,534 1.064,535 0.836,536 1.021,537 0.965,538 1.073,539 0.956,540 1.047,541 4.5,542 0.082,543 2.667,544 1.438,545 1.4,546 0.972,547 0.531,548 0.424,549 0.345,550 0.191,551 10290,552 26318,553 2.132,554 47.3,556 22,559 2,562 2,564 1.727,565 2.047,566 3.307,567 0.228,568 1,569 1,573 84.901,574 1.544,575 3.578,576 4.542,577 5.027,578 5.2,579 5.272,580 2.698,581 4.513,582 4.831,583 3.456,584 1403.27,585 8.454,586 18887.3,588 1,590 1,591 317.975,592 1.178,593 4.812,594 0.141,595 0.004,596 0.062,597 0.032,598 0.033,599 0.022,600 0.012,601 0.01,602 0.009,603 0.006,604 0.329,605 0.33,606 1,607 0.936,608 145.541,609 -0.059,610 -0.241,611 0.055,612 -0.073,613 -0.057,614 -0.006,615 0.014,616 0.145,617 -0.05,618 0.058,619 0.037,620 -0.005,621 -0.093,622 0.02,623 -0.036,624 0.061,625 -0.059,626 0.028,627 0.135,628 0.058,629 -0.036,630 -0.05,631 0.018,632 -0.072,633 0.044,634 -0.136,635 0.068,636 -0.074,638 -0.008,639 -0.202,640 0.046,641 -0.127,642 0.016,643 -0.184,644 -0.028,645 -0.015,646 -0.011,647 -0.125,648 -0.07,649 -0.054,650 -0.105,651 0.112,652 -0.073,653 0.016,654 -0.084,655 0.175,656 -0.054,657 2.032,658 5.296,659 0.759,660 24.968,661 1.002,662 1.131,663 2.724,664 7.419,665 0.65,666 3.497,667 3.784,668 4.06,669 4.344,670 4.605,671 4.635,672 4.779,673 4.875,674 4.97,675 4.942,676 6.208,677 0.619,678 394.52,679 3.497,680 5.017,681 5.861,682 6.73,683 7.594,684 8.472,685 9.345,686 10.225,687 11.102,688 11.984,689 7.3,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 55,733 14,734 2,735 32,737 58,738 22,739 10,740 3,741 7,742 4,746 4,747 5,752 1,758 1,761 14,762 8,766 3,771 1,773 1,774 1,775 3,778 1,781 26,782 7,783 2,784 7,790 4,791 1,794 0.75,795 3,796 1,812 4,816 1,831 1,836 2,838 1,839 1,840 3,848 29,853 1,854 8,855 1,856 1,859 2,870 5.5,871 1,873 1,874 1,877 14.167,878 9.55,879 6.528,880 3.339,881 2.865,882 1.379,883 0.968,884 6.446,885 10.431,886 3.726,887 4.256,888 4.816,889 5.383,890 5.918,891 6.134,892 6.473,893 6.802,894 7.163,895 7.105,896 0.857,897 45,898 10.753,900 4.528,901 7.707,902 20.781,904 17.064,905 2.207,906 64,909 1,910 282.506,911 113.215,912 41.045,914 78.828,917 113.215,918 361.335,919 41.045,921 38.153,922 118.493,923 38.473,924 33.694,925 4.276,926 282.506,928 282.506,929 154.26,930 78.828,933 258.964,934 48.687,935 53.683,937 61.187,938 83.597,939 9.476,941 282.506,942 119.873,943 113.215,946 282.506,947 37.405,948 82.059,949 18.011,950 95.614,951 282.506,952 119.873,953 113.215,955 0.563,956 0.328,957 0.19,958 0.112,959 20,960 8,961 0.121,962 7,963 1,964 1.091,965 4.031,966 258.807,967 0.091,968 22,969 134.881,974 19.894,975 9.397,976 4.782,977 2.373,978 119.873,979 14.541,984 1.173,986 60.694,987 515.595,988 40.5,993 12.296,995 1.926,996 4.16,997 1.016,999 55.109,1000 62.189,1001 0.267,1002 0.619,1003 0.786,1004 0.869,1005 0.899,1006 0.912,1007 4.954,1008 1.579,1009 5.814,1010 3.924,1011 4.466,1012 4.942,1013 2.414,1014 6.6,1015 4.377,1016 6.121,1017 1.279,1018 7.347,1019 3.688,1020 3.892,1021 4.635,1022 1.404,1023 7.434,1024 3.768,1025 7.408,1026 1.185,1027 8.984,1028 2.84,1029 6.019,1030 7.08,1031 2.797,1032 10.562,1033 5.847,1034 8.731,1035 1.041,1036 10.686,1037 2.613,1038 6.312,1039 7.672,1040 2.494,1041 12.257,1042 6.107,1043 10.093,1044 1,1045 12.43,1046 2.457,1047 7.861,1048 9.573,1049 3.523,1050 14.865,1051 7.617,1052 11.481,1053 0.842,1054 14.203,1055 2.136,1056 8.577,1057 10.614,1058 3.599,1059 16.907,1060 8.305,1061 12.889,1062 0.222,1063 15.996,1064 1.899,1065 9.872,1066 12.277,1067 4.429,1068 19.325,1069 9.567,1070 3.078,1071 -0.213,1072 17.803,1073 0.392,1074 10.792,1075 13.545,1076 4.706,1077 21.514,1078 10.465,1079 2.969,1080 10.291,1081 19.62,1082 -0.482,1083 11.975,1084 15.103,1085 5.417,1086 23.861,1087 11.621,1088 2.665,1089 9.609,1090 21.446,1091 4.431,1092 12.993,1093 16.483,1094 5.804,1095 26.113,1096 12.621,1097 2.246,1098 8.64,1099 23.277,1100 3.664,1101 14.128,1102 17.996,1103 6.444,1104 28.434,1105 13.734,1106 2.016,1107 6.401,1108 25.113,1109 3.014,1110 15.193,1111 19.429,1112 6.891,1113 30.715,1114 14.782,1115 1.736,1116 5.88,1117 26.953,1118 2.81,1119 16.309,1120 20.924,1121 7.488,1122 33.028,1123 15.88,1124 1.618,1125 4.322,1126 28.796,1127 2.589,1128 17.395,1129 22.384,1130 7.97,1131 35.324,1132 16.952,1133 9775,1134 15747,1135 21.959,1136 35.762,1137 47.16,1138 48.436,1139 47.968,1140 46.912,1141 46.956,1142 58.723,1143 10.347,1144 130.183,1145 44.832,1146 5.501,1147 5.649,1148 6.386,1149 5.161,1150 5.078,1151 7.431,1152 3.024,1153 17.178,1154 5.039,1155 9.933,1156 1.474,1157 1.514,1158 1.499,1159 1.466,1160 1.467,1161 1.835,1162 0.323,1163 4.068,1164 1.401,1165 4.099,1166 4.123,1167 4.05,1168 4.056,1169 7.433,1170 4.052,1171 3.902,1172 3.954,1173 3.851,1174 3.707,1175 6.456,1176 3.735,1177 3.709,1178 3.77,1179 3.591,1180 3.507,1181 4.9,1182 3.516,1183 3.575,1184 3.629,1185 3.454,1186 3.393,1187 4.729,1188 3.389,1189 3.48,1190 3.526,1191 3.364,1192 3.366,1193 4.556,1194 3.368,1195 3.263,1196 3.322,1197 3.143,1198 3.096,1199 4.341,1200 3.094,1201 3.111,1202 3.206,1203 2.937,1204 2.941,1205 4.147,1206 2.91,1207 3.021,1208 3.068,1209 2.867,1210 2.823,1211 3.844,1212 2.848,1213 0.141,1214 0.114,1215 0.204,1216 0.127,1217 0.096,1218 4.501,1219 0.138,1220 3.649,1221 0.053,1222 6.526,1223 0.322,1224 4.058,1225 0.095,1226 3.078,1227 4.431,1228 1.704,1229 10.291,1230 3.039,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.34,1236 2.15,1237 1.802,1238 1.75,1239 1.951,1240 2.024,1241 1.21,1242 2.002,1243 1.662,1244 1.601,1245 1.894,1246 1.892,1247 1.185,1248 1.893,1249 1.514,1250 1.46,1251 1.716,1252 1.757,1253 0.874,1254 1.746,1255 1.493,1256 1.451,1257 1.664,1258 1.619,1259 0.825,1260 1.641,1261 1.229,1262 1.173,1263 1.513,1264 1.454,1265 0.72,1266 1.457,1267 1.153,1268 1.064,1269 1.463,1270 1.376,1271 0.587,1272 1.429,1273 0.973,1274 0.918,1275 1.26,1276 1.208,1277 0.421,1278 1.228,1279 4.174,1281 5.468,1283 6.973,1285 8.576,1287 10.23,1294 9.38,1295 4.666,1296 2.884,1297 5.409,1300 4.176,1305 34.025,1306 84.901,1307 196.814,1308 249.794,1309 276.465,1310 285.975,1311 289.975,1312 45.232,1313 7.566,1314 81.69,1315 81.69,1316 24,1317 12.519,1318 3.907,1319 3.248,1320 44.335,1321 104,1322 109,1323 0.199,1324 207.975,1325 367.17,1326 499.219,1327 20090,1329 20.054,1330 0.692,1331 0.565,1332 20.054,1333 16.381,1334 14.242,1335 0.445,1336 0.313,1337 9.846,1338 13.618,1339 9.687,1340 7.952,1341 14.242,1342 10.009,1343 12.268,1344 0.285,1345 0.167,1346 12.268,1347 7.166,1348 10.256,1349 0.18,1350 0.092,1351 10.256,1352 5.22,1353 8.852,1354 0.116,1355 0.049,1356 8.852,1357 3.739,1358 7.543,1359 0.076,1360 0.027,1361 7.543,1362 2.63,1363 0.306,1364 89.7,1365 0.213,1366 27.183,1367 0.567,1368 150,1369 432.889,1370 165.746,1371 410.863,1372 560.41,1373 388,1374 175,1375 402.492,1376 190.251,1377 405.793,1378 596.7,1379 383,1380 4.288}
{0 CHEMBL2165182,1 1.523,2 10.2,3 3.01,4 9.06,5 117.322,6 7.044,7 0.333,8 4.155,9 4.279,10 3.674,11 3.647,12 5.193,13 3.629,14 4.72,15 4.905,16 3.998,17 4.042,18 5.743,19 3.992,20 4.979,21 5.21,22 4.047,23 4.213,24 5.863,25 4.124,26 5.022,27 5.263,28 4.036,29 4.24,30 5.913,31 4.127,32 5.085,33 5.336,34 4.079,35 4.254,36 5.977,37 4.148,38 5.093,39 5.327,40 4.107,41 4.247,42 6.073,43 4.17,44 5.103,45 5.325,46 4.124,47 4.285,48 6.147,49 4.193,50 5.154,51 5.405,52 4.041,53 4.283,54 6.091,55 4.163,56 0.029,57 0.856,58 12.947,59 5.219,60 8.992,61 7.169,62 0.401,63 1.378,64 24.873,65 8.612,66 36.983,67 12.12,68 0.389,69 1.682,70 33.17,71 11.154,72 36.556,73 16.399,74 0.421,75 1.759,76 34.491,77 12.192,78 40.021,79 17.956,80 0.397,81 1.811,82 37.3,83 12.477,84 46.325,85 18.711,86 0.477,87 1.825,88 37.929,89 11.377,90 58.799,91 16.896,92 0.657,93 1.83,94 38.024,95 12.394,96 73.466,97 17.975,98 0.35,99 1.839,100 40.273,101 13.946,102 56.664,103 20.224,104 9,105 44,106 0.249,107 0.579,108 0.748,109 0.835,110 0.862,111 0.873,112 3.441,113 0.955,114 -4.17,115 -4.11,116 -3.89,119 39.7,121 2,125 7,135 1,139 1,142 7,143 3,158 1,159 1,172 12,174 2,175 5,178 3,180 2,183 14,186 1,187 3,192 1,195 12,198 4,199 4,202 1,204 2,207 9,211 1,212 4,215 1,217 3,220 8,224 7,229 3,232 8,236 2,237 9,240 1,241 1,242 5,245 9,250 9,255 3,258 5,263 11,266 3,268 3,271 1,275 1656,276 20.853,277 20.853,278 20.853,279 20.853,280 20.853,281 19.045,282 22.888,283 12.876,284 21.355,285 16.339,286 16.339,287 16.339,288 16.339,289 16.339,290 13.523,291 28.59,292 6.134,293 17.133,294 4.335,295 2.314,296 1.279,297 0.75,298 0.586,299 0.517,300 4.143,304 1,305 1,306 662,307 3.391,311 357.081,315 137.385,318 1.413,319 26.053,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 65,331 306,332 4.501,333 3.649,334 6.526,335 4.058,336 3.078,337 4.431,338 1.704,339 10.291,340 3.039,341 4.294,342 3.221,343 6.292,344 3.918,345 2.969,346 3.664,347 0.977,348 9.609,349 2.792,350 3.822,351 3.129,352 6.017,353 3.585,354 2.665,355 3.014,356 0.946,357 8.64,358 2.448,359 3.516,360 2.938,361 5.222,362 3.213,363 2.247,364 2.81,365 0.86,366 6.401,367 2.16,368 3.434,369 2.374,370 5.022,371 3.01,372 2.017,373 2.589,374 0.399,375 5.881,376 1.995,377 3.118,378 2.215,379 4.392,380 2.694,381 1.74,382 2.427,383 0.257,384 4.326,385 1.666,386 2.943,387 1.899,388 4.272,389 2.621,390 1.68,391 1.944,392 0.03,393 3.94,394 1.618,395 2.793,396 1.728,397 4.104,398 2.618,399 1.618,400 1.899,402 3.716,403 1.56,404 2.764,405 1.618,406 3.608,407 2.283,408 1.308,409 1.77,411 2.94,412 1.279,413 2.503,414 1.575,415 3.557,416 2.218,417 1.255,418 1.479,420 2.781,421 1.196,422 2.288,423 1.278,424 3.488,425 1.952,426 1.051,427 1.216,428 2.582,429 0.946,430 2.202,431 1.256,432 3.306,433 1.937,434 1,435 1.129,436 2.136,437 0.926,438 2,439 1.084,440 3.247,441 1.89,442 0.911,443 1,445 2.042,446 0.888,447 1.677,448 0.839,449 2.843,450 1.521,451 0.581,452 0.627,454 1.069,455 0.542,456 1.238,457 0.673,458 2.7,459 0.886,460 -0.079,461 -0.092,463 -0.171,464 -0.075,465 14.1,466 0.47,467 0.516,468 0.017,469 34.5,470 1.15,471 14.5,472 0.483,473 20,474 0.667,475 27.783,476 0.926,477 33.3,478 0.574,479 27.314,480 0.91,481 7.035,482 0.234,483 7.707,484 0.257,485 0.047,487 0.27,493 0.873,494 1.477,495 0.842,496 1.189,497 0.724,498 1.035,499 1.014,500 1.027,501 1.012,502 0.973,503 0.681,504 0.988,505 0.943,506 1.037,507 0.979,508 0.935,509 0.733,510 0.952,511 0.588,512 1.032,513 0.963,514 1.06,515 0.628,516 1.064,517 0.724,518 1.089,519 0.896,520 1.005,521 0.794,522 0.975,523 1.314,524 1.027,525 1.109,526 0.937,527 1.466,528 0.966,529 1.047,530 1.021,531 1.109,532 1.028,533 1.297,534 1.065,535 0.921,536 1.064,537 0.978,538 1.084,539 1.047,540 1.047,541 4.5,542 0.103,543 2.667,544 1.438,545 1.4,546 0.972,547 0.531,548 0.424,549 0.382,550 0.217,551 11243,552 28191,553 2.128,554 48.3,556 22,559 2,561 4,564 1.737,565 2.045,566 3.308,567 0.21,569 1,573 88.36,574 1.523,575 3.544,576 4.579,577 5.108,578 5.272,579 5.341,580 2.689,581 4.482,582 4.879,583 3.478,584 1513.12,585 8.557,586 21075,588 1,590 1,591 339.763,592 1.159,593 4.862,594 0.136,595 0.004,596 0.061,597 0.031,598 0.032,599 0.021,600 0.011,601 0.009,602 0.009,603 0.006,604 0.32,605 0.33,606 1,607 1.078,608 152.434,609 -0.052,610 -0.233,611 0.055,612 -0.07,613 -0.049,614 -0.005,615 0.024,616 0.126,617 -0.051,618 0.04,619 0.045,620 -0.016,621 -0.079,622 0.02,623 -0.019,624 0.062,625 -0.048,626 0.035,627 0.102,628 0.022,629 -0.023,630 -0.057,631 0.013,632 -0.063,633 0.053,634 -0.074,635 0.063,636 -0.019,637 -0.013,638 0.017,639 -0.207,640 0.029,641 -0.11,642 0.009,643 -0.178,644 -0.022,645 0.024,646 0.025,647 -0.126,648 -0.047,649 -0.028,650 -0.098,651 -0.042,652 -0.101,653 -0.009,654 -0.086,655 -0.014,656 -0.046,657 2.015,658 5.362,659 0.733,660 27.333,661 1,662 1.131,663 2.939,664 8.636,665 0.647,666 3.526,667 3.807,668 4.078,669 4.357,670 4.615,671 4.654,672 4.804,673 4.905,674 5.017,675 4.997,676 6.373,677 0.613,678 408.55,679 3.526,680 5.043,681 5.883,682 6.749,683 7.61,684 8.486,685 9.356,686 10.236,687 11.111,688 11.992,689 6.9,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 58,733 14,734 2,735 33,737 61,738 23,739 10,740 3,741 7,742 4,746 4,747 5,752 1,758 2,761 14,762 9,766 3,771 1,773 1,774 1,775 3,778 1,781 28,782 7,783 2,784 7,790 4,791 1,794 0.75,795 3,796 1,812 4,816 1,831 1,836 2,838 1,839 1,840 3,848 30,853 1,854 9,855 1,856 1,859 2,870 5.2,871 1,873 1,874 1,877 14.667,878 10.05,879 6.778,880 3.589,881 2.841,882 1.374,883 0.965,884 7.001,885 10.445,886 3.75,887 4.27,888 4.824,889 5.387,890 5.921,891 6.138,892 6.479,893 6.809,894 7.175,895 7.124,896 0.857,897 46,898 11.129,900 4.668,901 7.683,902 21.598,904 17.73,905 2.183,906 65.5,909 1,910 306.049,911 115.75,912 41.045,914 78.828,917 115.75,918 384.877,919 41.045,921 40.687,922 118.493,923 38.473,924 33.694,925 4.276,926 306.049,928 306.049,929 156.795,930 78.828,933 258.964,934 72.229,935 53.683,937 63.722,938 83.597,939 9.476,941 306.049,942 119.873,943 115.75,946 306.049,947 39.94,948 82.059,949 18.011,950 95.614,951 306.049,952 119.873,953 115.75,955 0.561,956 0.325,957 0.186,958 0.108,959 20,960 8,961 0.131,962 8,963 1,964 1.091,965 4.123,966 269.533,967 0.091,968 22,969 139.207,974 20.853,975 10.072,976 5.214,977 2.402,978 119.873,979 14.638,984 1.197,986 60.694,987 541.672,988 41.5,993 12.362,995 1.955,996 4.186,997 1.087,999 57.992,1000 65.604,1001 0.26,1002 0.605,1003 0.782,1004 0.872,1005 0.9,1006 0.912,1007 4.975,1008 1.618,1009 5.832,1010 3.94,1011 4.489,1012 4.956,1013 2.414,1014 6.611,1015 4.402,1016 6.136,1017 1.308,1018 7.359,1019 3.716,1020 3.892,1021 4.635,1022 1.404,1023 7.434,1024 3.768,1025 7.419,1026 1.255,1027 8.993,1028 2.94,1029 6.033,1030 7.085,1031 2.797,1032 10.564,1033 5.865,1034 8.74,1035 1.051,1036 10.692,1037 2.781,1038 6.312,1039 7.672,1040 2.494,1041 12.257,1042 6.107,1043 10.099,1044 1,1045 12.434,1046 2.582,1047 7.869,1048 9.574,1049 3.523,1050 14.865,1051 7.627,1052 11.485,1053 0.911,1054 14.206,1055 2.136,1056 8.577,1057 10.614,1058 3.599,1059 16.907,1060 8.305,1061 12.892,1062 0.581,1063 15.997,1064 2.042,1065 9.875,1066 12.277,1067 4.429,1068 19.326,1069 9.571,1070 3.078,1071 -0.079,1072 17.804,1073 1.069,1074 10.792,1075 13.545,1076 4.706,1077 21.514,1078 10.466,1079 2.969,1080 10.291,1081 19.621,1082 -0.171,1083 11.977,1084 15.103,1085 5.417,1086 23.861,1087 11.623,1088 2.665,1089 9.609,1090 21.446,1091 4.431,1092 12.993,1093 16.483,1094 5.804,1095 26.113,1096 12.621,1097 2.247,1098 8.64,1099 23.277,1100 3.664,1101 14.129,1102 17.996,1103 6.444,1104 28.434,1105 13.735,1106 2.017,1107 6.401,1108 25.113,1109 3.014,1110 15.193,1111 19.429,1112 6.891,1113 30.715,1114 14.782,1115 1.74,1116 5.881,1117 26.953,1118 2.81,1119 16.309,1120 20.924,1121 7.488,1122 33.028,1123 15.881,1124 1.68,1125 4.326,1126 28.796,1127 2.589,1128 17.395,1129 22.384,1130 7.97,1131 35.324,1132 16.952,1133 10717,1134 17087,1135 22.652,1136 37.523,1137 48.497,1138 49.716,1139 49.189,1140 48.223,1141 48.239,1142 59.997,1143 10.347,1144 132.705,1145 46.111,1146 5.501,1147 5.649,1148 6.435,1149 5.161,1150 5.078,1151 7.431,1152 3.024,1153 17.178,1154 5.039,1155 10.268,1156 1.47,1157 1.507,1158 1.491,1159 1.461,1160 1.462,1161 1.818,1162 0.314,1163 4.021,1164 1.397,1165 4.099,1166 4.124,1167 4.05,1168 4.056,1169 7.433,1170 4.052,1171 3.904,1172 3.956,1173 3.852,1174 3.711,1175 6.456,1176 3.737,1177 3.722,1178 3.785,1179 3.597,1180 3.536,1181 4.901,1182 3.538,1183 3.617,1184 3.672,1185 3.488,1186 3.425,1187 4.729,1188 3.428,1189 3.491,1190 3.537,1191 3.383,1192 3.39,1193 4.556,1194 3.387,1195 3.323,1196 3.384,1197 3.204,1198 3.13,1199 4.341,1200 3.135,1201 3.111,1202 3.206,1203 2.956,1204 2.941,1205 4.166,1206 2.93,1207 3.096,1208 3.158,1209 2.9,1210 2.931,1211 3.883,1212 2.91,1213 0.136,1214 0.111,1215 0.198,1216 0.123,1217 0.093,1218 4.501,1219 0.134,1220 3.649,1221 0.052,1222 6.526,1223 0.312,1224 4.058,1225 0.092,1226 3.078,1227 4.431,1228 1.704,1229 10.291,1230 3.039,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.346,1236 2.15,1237 1.806,1238 1.753,1239 1.968,1240 2.025,1241 1.264,1242 2.004,1243 1.692,1244 1.63,1245 1.925,1246 1.907,1247 1.203,1248 1.918,1249 1.562,1250 1.509,1251 1.752,1252 1.795,1253 0.934,1254 1.785,1255 1.494,1256 1.453,1257 1.666,1258 1.632,1259 0.825,1260 1.646,1261 1.275,1262 1.215,1263 1.517,1264 1.516,1265 0.729,1266 1.521,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.662,1272 1.429,1273 1.095,1274 1.033,1275 1.394,1276 1.312,1277 0.567,1278 1.341,1279 4.205,1281 5.493,1283 6.991,1285 8.589,1287 10.239,1294 9.234,1295 5.833,1296 2.921,1297 5.425,1300 4.26,1305 35.552,1306 88.36,1307 205.543,1308 265.582,1309 296.253,1310 305.763,1311 309.763,1312 47.979,1313 7.604,1314 81.69,1315 81.69,1316 24,1317 12.529,1318 3.907,1319 3.248,1320 46.597,1321 109,1322 120,1323 0.197,1324 217.567,1325 384.47,1326 522.625,1327 20888,1329 20.761,1330 0.692,1331 0.57,1332 20.761,1333 17.088,1334 14.742,1335 0.447,1336 0.318,1337 10.346,1338 14.118,1339 10.177,1340 8.369,1341 14.742,1342 10.509,1343 12.621,1344 0.287,1345 0.171,1346 12.621,1347 7.52,1348 10.506,1349 0.181,1350 0.094,1351 10.506,1352 5.47,1353 9.042,1354 0.117,1355 0.051,1356 9.042,1357 3.892,1358 7.611,1359 0.076,1360 0.027,1361 7.611,1362 2.73,1363 0.303,1364 92.7,1365 0.21,1366 27.998,1367 0.56,1368 154,1369 436.889,1370 169.746,1371 415.025,1372 566.17,1373 392,1374 179,1375 406.492,1376 194.251,1377 409.954,1378 602.46,1379 387,1380 4.133}
{0 CHEMBL2165185,1 1.788,2 10.188,3 3.404,4 11.585,5 112.933,6 8.154,7 0.314,8 4.133,9 4.245,10 3.755,11 3.595,12 5.289,13 3.619,14 4.717,15 4.879,16 4.194,17 3.989,18 6.251,19 4,20 4.965,21 5.163,22 4.21,23 4.165,24 6.281,25 4.131,26 5.024,27 5.254,28 4.135,29 4.197,30 6.135,31 4.127,32 5.05,33 5.273,34 4.226,35 4.211,36 6.14,37 4.162,38 5.125,39 5.338,40 4.318,41 4.187,42 6.43,43 4.192,44 5.098,45 5.288,46 4.386,47 4.191,48 6.521,49 4.207,50 5.139,51 5.356,52 4.401,53 4.153,54 6.701,55 4.158,56 0.222,57 1.021,58 9.818,59 4.973,60 33.958,61 5.802,62 1.154,63 1.928,64 22.228,65 8.212,66 164.172,67 9.847,68 1.258,69 1.832,70 30.776,71 10.51,72 160.834,73 13.607,74 1.152,75 1.93,76 33.924,77 11.727,78 106.99,79 15.548,80 0.855,81 1.931,82 33.938,83 12.004,84 99.114,85 16.501,86 1.424,87 2.183,88 38.358,89 11.033,90 160.582,91 13.713,92 1.39,93 2.316,94 35.739,95 11.889,96 165.509,97 13.823,98 1.682,99 2.377,100 39.952,101 12.601,102 219.13,103 15.781,104 29,105 50,106 0.295,107 0.633,108 0.764,109 0.828,110 0.856,111 0.868,112 3.503,113 0.876,114 -4.27,115 -4.21,116 -3.98,119 40,125 6,127 1,132 1,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 2,175 4,178 3,180 1,183 14,186 1,187 2,190 1,195 12,198 4,199 4,202 1,204 1,207 7,211 1,212 4,216 1,217 4,220 4,224 4,229 5,232 3,236 2,237 6,240 4,242 6,245 3,250 9,255 4,258 1,263 10,268 1,275 1966,276 21.195,277 21.195,278 21.195,279 21.195,280 21.195,281 19.388,282 23.277,283 12.469,284 21.936,285 17.315,286 17.315,287 17.315,288 17.315,289 17.315,290 14.498,291 29.939,292 5.959,293 18.605,294 3.994,295 1.95,296 1.153,297 0.768,298 0.596,299 0.523,300 4.196,304 1,305 1,306 700,307 4.183,311 389.138,315 149.757,318 1.324,319 54.874,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 73.5,331 326,332 4.502,333 4.341,334 7.06,335 4.142,336 3.299,337 4.431,338 3.02,339 11.383,340 3.041,341 4.326,342 3.649,343 6.525,344 4.042,345 3.068,346 3.666,347 1.704,348 10.287,349 2.82,350 4.258,351 3.223,352 6.291,353 3.908,354 2.967,355 3.293,356 0.977,357 9.607,358 2.702,359 3.809,360 3.129,361 6.018,362 3.566,363 2.653,364 3.001,365 0.946,366 8.652,367 2.411,368 3.516,369 2.944,370 5.223,371 3.208,372 2.243,373 2.806,374 0.86,375 6.408,376 2.154,377 3.432,378 2.376,379 5.03,380 3.004,381 2.015,382 2.588,383 0.399,384 5.906,385 1.982,386 3.118,387 2.216,388 4.498,389 2.661,390 1.735,391 2.427,392 0.257,393 4.49,394 1.618,395 2.936,396 2.12,397 4.346,398 2.618,399 1.618,400 1.936,401 0.03,402 4.175,403 1.594,404 2.775,405 1.715,406 4.196,407 2.445,408 1.556,409 1.899,411 3.807,412 1.362,413 2.729,414 1.618,415 3.96,416 2.274,417 1.277,418 1.708,420 3.04,421 1.272,422 2.395,423 1.475,424 3.588,425 2.066,426 1.146,427 1.363,428 2.779,429 1.042,430 2.219,431 1.269,432 3.489,433 1.952,434 1.034,435 1.164,436 2.576,437 0.946,438 2.108,439 1.256,440 3.317,441 1.937,442 1,443 1.001,445 2.136,446 0.926,447 2,448 0.954,449 3.247,450 1.747,451 0.795,452 1,454 1.942,455 0.752,456 1.252,457 0.678,458 2.857,459 0.909,460 -0.057,461 -0.068,463 -0.148,464 -0.055,465 14.457,466 0.452,467 0.949,468 0.03,469 36.25,470 1.133,471 14.5,472 0.453,473 21.75,474 0.68,475 30.246,476 0.945,477 36.543,478 0.664,479 33.78,480 1.056,481 7.706,482 0.241,483 7.603,484 0.238,485 0.105,486 0.035,487 0.297,490 3,493 0.682,494 1.162,495 0.681,496 1.172,497 0.626,498 0.988,499 0.628,500 0.756,501 0.817,502 0.932,503 0.446,504 0.944,505 0.706,506 0.862,507 0.952,508 0.942,509 0.589,510 1.014,511 0.684,512 0.754,513 1.013,514 0.991,515 0.765,516 1.093,517 0.568,518 0.917,519 0.777,520 1.095,521 0.57,522 1.039,523 1.175,524 0.929,525 1.081,526 0.898,527 1.204,528 0.924,529 1.128,530 1.203,531 1.015,532 1.076,533 1.216,534 1.017,535 0.913,536 1.082,537 0.834,538 1.063,539 0.979,540 0.964,541 7.5,542 0.161,543 3.778,544 1.688,545 1.8,546 1.306,547 0.88,548 0.918,549 0.732,550 0.386,551 12681,552 42863,553 2.056,554 41.8,556 21,559 2,564 1.755,565 1.91,566 3.263,567 0.27,569 1,573 98.316,574 1.788,575 3.831,576 4.628,577 5.013,578 5.186,579 5.259,580 2.648,581 4.5,582 4.974,583 3.448,584 1710.1,585 8.757,586 24719.7,588 1,591 317.975,592 1.574,593 4.918,594 0.214,595 0.006,596 0.076,597 0.033,598 0.038,599 0.025,600 0.016,601 0.016,602 0.013,603 0.009,604 0.446,605 0.17,606 1,607 1.043,608 164.943,609 -0.07,610 -0.163,611 0.028,612 -0.073,613 -0.087,614 -0.006,615 0.251,616 0.279,617 0.039,618 0.072,619 0.321,620 -0.008,621 0.076,622 0.026,623 -0.06,624 0.043,625 0.118,626 -0.035,627 0.043,628 0.178,629 -0.102,630 -0.001,631 -0.054,632 -0.085,633 0.043,634 -0.162,635 0.115,636 -0.11,637 0.012,638 -0.006,639 -0.168,640 0.022,641 -0.105,642 0.029,643 -0.144,644 0.004,645 -0.053,646 -0.151,647 -0.049,648 -0.095,649 -0.056,650 -0.075,651 0.186,652 -0.033,653 0.188,654 -0.08,655 0.209,656 0.012,657 6.044,658 5.27,659 0.688,660 27.883,661 1.03,662 1.149,663 3.045,664 9.27,665 0.647,666 3.584,667 3.932,668 4.159,669 4.394,670 4.673,671 4.727,672 4.898,673 5.03,674 5.136,675 5.13,676 6.366,677 0.64,678 448.49,679 3.584,680 5.142,681 5.984,682 6.868,683 7.731,684 8.617,685 9.489,686 10.375,687 11.252,688 12.139,689 7.3,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 55,733 14,734 2,735 35,737 58,738 22,739 10,740 3,741 7,742 4,746 4,747 5,752 1,757 1,758 1,761 14,762 8,766 3,771 1,773 1,774 1,775 3,778 1,779 3,781 23,782 10,783 2,784 10,790 4,791 1,794 0.75,795 3,797 1,812 4,816 1,831 1,836 2,838 1,839 1,840 3,846 3,848 32,853 1,854 6,855 1,856 1,858 1,859 2,860 1,869 3,870 5.5,871 1,873 1,874 1,877 16.75,878 9.562,879 6.861,880 3.163,881 2.795,882 1.364,883 0.958,884 6.701,885 10.471,886 3.795,887 4.35,888 4.864,889 5.401,890 5.939,891 6.164,892 6.515,893 6.862,894 7.229,895 7.204,896 0.857,897 51,898 12.646,900 6.234,901 8.237,902 21.969,904 18.181,905 2.737,906 87.583,909 1,910 247.193,911 118.44,912 41.045,914 78.828,915 44.88,917 118.44,918 326.021,919 85.925,921 35.618,922 118.493,923 38.473,924 78.574,925 4.276,926 247.193,927 7.76,928 247.193,929 159.485,930 123.708,933 247.193,934 70.025,935 53.683,937 66.412,938 83.597,939 9.476,941 292.073,942 119.873,943 118.44,946 254.953,947 34.871,948 82.059,949 18.011,950 140.494,951 247.193,952 164.753,953 118.44,955 0.59,956 0.332,957 0.17,958 0.1,959 24,960 11,961 0.103,962 6,963 1,964 1.091,965 4.132,966 301.374,967 0.091,968 22,969 149.245,974 22.591,975 9.492,976 5.434,977 1.824,978 164.753,979 13.092,984 0.767,986 60.694,987 530.387,988 43.5,993 12.27,995 1.543,996 3.973,997 -0.16,999 56.647,1000 63.208,1001 0.309,1002 0.663,1003 0.801,1004 0.867,1005 0.897,1006 0.91,1007 5.067,1008 1.618,1009 6.004,1010 4.49,1011 4.615,1012 5.037,1013 3.213,1014 6.841,1015 4.481,1016 6.273,1017 1.556,1018 7.587,1019 4.175,1020 4.369,1021 4.89,1022 3.208,1023 7.953,1024 4.077,1025 7.59,1026 1.277,1027 9.282,1028 3.807,1029 6.279,1030 7.178,1031 4.7,1032 10.968,1033 5.994,1034 8.938,1035 1.146,1036 11.043,1037 3.04,1038 6.825,1039 7.831,1040 5.512,1041 12.867,1042 6.372,1043 10.319,1044 1.034,1045 12.847,1046 2.779,1047 8.261,1048 9.658,1049 6.705,1050 15.453,1051 7.797,1052 11.722,1053 1,1054 14.68,1055 2.576,1056 9.151,1057 10.711,1058 7.737,1059 17.646,1060 8.539,1061 13.141,1062 0.795,1063 16.533,1064 2.136,1065 10.408,1066 12.339,1067 8.862,1068 20.096,1069 9.758,1070 3.299,1071 -0.057,1072 18.401,1073 1.942,1074 11.448,1075 13.603,1076 9.949,1077 22.406,1078 10.675,1079 3.068,1080 11.383,1081 20.28,1082 -0.148,1083 12.638,1084 15.144,1085 11.058,1086 24.814,1087 11.808,1088 2.967,1089 10.287,1090 22.169,1091 4.431,1092 13.744,1093 16.517,1094 12.159,1095 27.174,1096 12.809,1097 2.653,1098 9.607,1099 24.064,1100 3.666,1101 14.911,1102 18.021,1103 13.265,1104 29.573,1105 13.908,1106 2.243,1107 8.652,1108 25.966,1109 3.293,1110 16.048,1111 19.449,1112 14.369,1113 31.957,1114 14.951,1115 2.015,1116 6.408,1117 27.873,1118 3.001,1119 17.21,1120 20.939,1121 15.474,1122 34.357,1123 16.038,1124 1.735,1125 5.906,1126 29.784,1127 2.806,1128 18.361,1129 22.395,1130 16.579,1131 36.754,1132 17.102,1133 12182,1134 22606,1135 23.057,1136 35.574,1137 53.464,1138 53.697,1139 53.578,1140 52.98,1141 52.812,1142 64.565,1143 16.387,1144 154.378,1145 49.241,1146 5.502,1147 6.341,1148 6.862,1149 5.246,1150 5.299,1151 7.431,1152 4.53,1153 18.325,1154 5.041,1155 16.383,1156 1.528,1157 1.534,1158 1.531,1159 1.514,1160 1.509,1161 1.845,1162 0.468,1163 4.411,1164 1.407,1165 4.099,1166 4.123,1167 4.051,1168 4.056,1169 8.513,1170 4.052,1171 3.905,1172 3.956,1173 3.856,1174 3.706,1175 7.999,1176 3.736,1177 3.729,1178 3.782,1179 3.661,1180 3.505,1181 7.999,1182 3.525,1183 3.615,1184 3.657,1185 3.545,1186 3.392,1187 7.433,1188 3.397,1189 3.487,1190 3.532,1191 3.393,1192 3.363,1193 6.444,1194 3.385,1195 3.285,1196 3.343,1197 3.212,1198 3.095,1199 4.9,1200 3.102,1201 3.111,1202 3.206,1203 2.949,1204 2.941,1205 4.728,1206 2.91,1207 3.032,1208 3.082,1209 2.891,1210 2.818,1211 4.555,1212 2.856,1213 0.129,1214 0.124,1215 0.202,1216 0.118,1217 0.094,1218 4.502,1219 0.127,1220 4.341,1221 0.086,1222 7.06,1223 0.325,1224 4.142,1225 0.087,1226 3.299,1227 4.431,1228 3.02,1229 11.383,1230 3.041,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.336,1236 2.15,1237 1.8,1238 1.749,1239 1.944,1240 2.024,1241 1.205,1242 2.001,1243 1.649,1244 1.593,1245 1.835,1246 1.895,1247 1.095,1248 1.877,1249 1.496,1250 1.454,1251 1.67,1252 1.763,1253 0.825,1254 1.718,1255 1.479,1256 1.439,1257 1.635,1258 1.62,1259 0.803,1260 1.636,1261 1.215,1262 1.164,1263 1.513,1264 1.45,1265 0.713,1266 1.434,1267 1.153,1268 1.064,1269 1.433,1270 1.376,1271 0.576,1272 1.429,1273 0.942,1274 0.895,1275 1.162,1276 1.192,1277 0.261,1278 1.176,1279 4.263,1281 5.602,1283 7.133,1285 8.748,1287 10.403,1291 39.55,1294 9.795,1295 1.285,1296 2.535,1297 5.315,1299 -2.582,1300 3.172,1301 -4.794,1305 35.175,1306 98.316,1307 210.708,1308 254.549,1309 275.71,1310 285.22,1311 289.22,1312 72.321,1313 7.676,1314 81.69,1315 81.69,1316 24,1317 12.672,1318 3.907,1319 3.248,1320 51.268,1321 115,1322 130,1323 0.203,1324 211.57,1325 385.38,1326 507.99,1327 22210,1328 5.5,1329 22.717,1330 0.71,1331 0.537,1332 20.217,1333 17.178,1334 15.309,1335 0.437,1336 0.292,1337 9.979,1338 14.419,1339 9.882,1340 8.036,1341 14.097,1342 10.215,1343 14.628,1344 0.293,1345 0.152,1346 12.755,1347 7.605,1348 11.462,1349 0.182,1350 0.086,1351 10.102,1352 5.405,1353 9.129,1354 0.114,1355 0.047,1356 8.926,1357 3.753,1358 7.865,1359 0.074,1360 0.025,1361 7.556,1362 2.657,1363 0.31,1364 98.223,1365 0.208,1366 29.299,1367 0.587,1368 170,1369 711.222,1370 203.427,1371 593.909,1372 771.01,1373 552,1374 198,1375 530.25,1376 225.858,1377 512.761,1378 771.81,1379 482,1380 4.245}
{0 CHEMBL2165187,1 1.501,2 10.167,3 3.046,4 9.276,5 119.54,6 6.908,7 0.333,8 4.167,9 4.301,10 3.679,11 3.648,12 5.179,13 3.626,14 4.739,15 4.945,16 4.01,17 4.04,18 5.723,19 3.995,20 4.96,21 5.178,22 4.053,23 4.237,24 5.844,25 4.145,26 5.086,27 5.346,28 4.04,29 4.27,30 5.919,31 4.141,32 5.108,33 5.375,34 4.092,35 4.254,36 5.962,37 4.151,38 5.084,39 5.31,40 4.129,41 4.256,42 6.069,43 4.182,44 5.142,45 5.38,46 4.142,47 4.313,48 6.135,49 4.214,50 5.177,51 5.437,52 4.077,53 4.322,54 6.065,55 4.192,56 0.028,57 0.896,58 13.43,59 5.069,60 7.747,61 7.341,62 0.457,63 1.42,64 26.026,65 8.059,66 34.627,67 12.015,68 0.369,69 1.711,70 32.202,71 11.056,72 29.218,73 16.339,74 0.412,75 1.838,76 37.115,77 13.008,78 37.526,79 19.631,80 0.411,81 1.85,82 38.528,83 12.145,84 39.365,85 18.796,86 0.451,87 1.851,88 37.473,89 10.948,90 53.307,91 16.664,92 0.736,93 1.931,94 39.908,95 12.419,96 68.649,97 18.718,98 0.271,99 1.933,100 40.8,101 14.225,102 46.684,103 21.318,104 13,105 45,106 0.244,107 0.555,108 0.724,109 0.801,110 0.827,111 0.838,112 3.441,113 0.946,114 -4.17,115 -4.11,116 -3.89,119 39,124 2,125 7,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 2,175 4,178 3,180 1,183 14,186 2,187 2,195 12,198 4,199 4,202 1,204 1,207 7,211 1,212 6,215 1,217 2,220 4,224 6,229 3,232 3,236 5,237 9,240 1,242 3,245 3,250 12,255 1,258 1,263 11,275 1632,276 20.43,277 20.43,278 20.43,279 20.43,280 20.43,281 18.623,282 24.701,283 12.355,284 21.011,285 16.357,286 16.357,287 16.357,288 16.357,289 16.357,290 13.541,291 33.072,292 5.932,293 17.251,294 4.382,295 2.476,296 1.435,297 0.966,298 0.805,299 0.737,300 4.14,304 1,305 1,306 660,307 3.536,311 356.55,315 137.148,318 1.378,319 20.883,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 64.5,331 305,332 4.501,333 3.65,334 6.526,335 4.058,336 3.078,337 4.431,338 1.704,339 10.291,340 3.039,341 4.295,342 3.223,343 6.292,344 3.918,345 2.97,346 3.664,347 0.977,348 9.61,349 2.792,350 3.824,351 3.129,352 6.018,353 3.589,354 2.67,355 3.015,356 0.946,357 8.644,358 2.452,359 3.517,360 2.945,361 5.223,362 3.226,363 2.273,364 2.811,365 0.86,366 6.404,367 2.165,368 3.436,369 2.549,370 5.026,371 3.095,372 2.16,373 2.59,374 0.8,375 5.896,376 2.032,377 3.206,378 2.372,379 4.659,380 2.983,381 2.002,382 2.427,383 0.399,384 5.147,385 1.935,386 3.118,387 2.215,388 4.377,389 2.654,390 1.733,391 2.212,392 0.257,393 4.295,394 1.618,395 2.921,396 1.752,397 4.247,398 2.618,399 1.618,400 1.921,401 0.03,402 3.87,403 1.587,404 2.772,405 1.618,406 4.066,407 2.297,408 1.345,409 1.897,411 3.547,412 1.285,413 2.617,414 1.581,415 3.59,416 2.248,417 1.263,418 1.578,420 2.82,421 1.231,422 2.309,423 1.276,424 3.489,425 1.952,426 1.052,427 1.233,428 2.591,429 0.946,430 2.204,431 1.256,432 3.331,433 1.937,434 1,435 1.133,436 2.136,437 0.926,438 2,439 1.017,440 3.247,441 1.888,442 0.902,443 1,445 2.1,446 0.888,447 1.534,448 0.692,449 2.919,450 1.38,451 0.42,452 0.456,454 0.976,455 0.402,456 1.225,457 0.578,458 2.717,459 0.799,460 -0.18,461 -0.22,463 -0.462,464 -0.176,465 14.167,466 0.472,467 0.661,468 0.022,469 35,470 1.167,471 14.5,472 0.483,473 20.5,474 0.683,475 27.533,476 0.918,477 33.233,478 0.563,479 28.478,480 0.949,481 7.351,482 0.245,483 7.246,484 0.242,485 0.094,487 0.296,493 0.848,494 1.623,495 0.845,496 1.265,497 0.617,498 1.081,499 1.179,500 0.88,501 0.983,502 0.8,503 0.595,504 0.844,505 1.01,506 1.095,507 1.088,508 1.062,509 0.806,510 1.079,511 0.491,512 1.043,513 0.89,514 1.06,515 0.573,516 1.033,517 0.833,518 0.998,519 0.864,520 0.913,521 0.869,522 0.885,523 1.547,524 1.152,525 1.168,526 1.018,527 1.943,528 1.031,529 1.064,530 0.947,531 1.099,532 0.966,533 1.432,534 1.021,535 0.755,536 1.179,537 0.914,538 1.142,539 0.822,540 1.065,541 5.5,542 0.111,543 2.889,544 1.438,545 1.48,546 1.083,547 0.572,548 0.54,549 0.485,550 0.266,551 11119,552 26041,553 2.107,554 49.2,556 28,559 1,564 1.737,565 2,566 3.288,567 -0.349,569 1,573 88.543,574 1.501,575 3.407,576 4.448,577 4.916,578 5.077,579 5.145,580 2.681,581 4.507,582 4.88,583 3.459,584 1504.59,585 8.559,586 20849.4,588 1,591 347.076,592 1.295,593 4.851,594 0.167,595 0.005,596 0.064,597 0.031,598 0.034,599 0.023,600 0.012,601 0.011,602 0.011,603 0.007,604 0.365,605 0.33,606 1,607 0.986,608 152.132,609 -0.005,610 -0.357,611 0.079,612 -0.149,613 -0.017,614 -0.044,615 0.019,616 0.282,617 0.016,618 0.177,619 0.124,620 0.107,621 -0.081,622 0.001,623 -0.127,624 -0.039,625 -0.077,626 -0.083,627 0.182,628 -0.034,629 0.058,630 -0.054,631 0.077,632 -0.024,633 0.04,634 0.007,635 0.115,636 0.053,637 0.009,638 0.092,639 -0.246,640 -0.081,641 -0.155,642 -0.062,643 -0.235,644 -0.088,645 0.081,646 0.103,647 -0.101,648 -0.001,649 -0.015,650 -0.064,651 0.03,652 -0.214,653 0.044,654 -0.129,655 0.108,656 -0.054,657 1.984,658 5.399,659 0.733,660 26.533,661 0.996,662 1.134,663 2.939,664 8.636,665 0.645,666 3.526,667 3.829,668 4.078,669 4.357,670 4.625,671 4.663,672 4.812,673 4.927,674 5.024,675 5.011,676 6.296,677 0.608,678 407.57,679 3.526,680 5.056,681 5.894,682 6.765,683 7.625,684 8.502,685 9.372,686 10.252,687 11.127,688 12.009,689 8.5,692 3,696 1,698 1,703 2,704 7,709 1,711 11,731 59,733 14,734 2,735 33,737 62,738 23,739 10,740 3,741 7,742 4,746 4,747 5,761 14,762 9,766 3,771 1,773 1,774 1,775 3,778 1,781 29,782 7,783 1,784 7,790 5,791 1,794 0.75,795 2,812 4,816 1,831 1,836 3,839 1,840 3,844 2,848 30,854 7,855 1,856 1,859 3,870 3.4,873 1,874 1,877 15,878 11.05,879 6.611,880 3.489,881 2.841,882 1.374,883 0.981,884 6.676,885 10.445,886 3.75,887 4.284,888 4.824,889 5.387,890 5.923,891 6.143,892 6.482,893 6.82,894 7.181,895 7.138,896 0.857,897 46,898 11.114,900 4.617,901 7.583,902 21.678,904 17.641,905 2.083,906 62.5,909 1,910 329.591,911 129.579,912 44.169,914 36.145,917 129.579,918 365.736,919 44.169,920 16.793,921 37.724,922 75.81,923 38.473,924 36.818,925 4.276,926 329.591,928 329.591,929 173.748,930 36.145,933 329.591,934 25.145,935 11,937 63.883,938 100.39,939 9.476,941 329.591,942 80.314,943 129.579,946 329.591,947 36.976,948 101.976,949 18.011,950 52.93,951 329.591,952 80.314,953 129.579,955 0.572,956 0.321,957 0.181,958 0.108,959 21,960 9,961 0.113,962 7,963 1,964 1.091,965 4.083,966 271.46,967 0.091,968 22,969 136.452,974 20.853,975 9.604,976 5.214,977 2.458,978 80.314,979 14.806,984 1.234,986 18.011,987 539.484,988 41.5,993 12.399,995 1.994,996 4.214,997 1.192,999 58.767,1000 66.893,1001 0.255,1002 0.579,1003 0.756,1004 0.836,1005 0.863,1006 0.875,1007 4.989,1008 1.618,1009 5.861,1010 4.295,1011 4.511,1012 4.97,1013 2.497,1014 6.642,1015 4.415,1016 6.161,1017 1.345,1018 7.394,1019 3.87,1020 4.007,1021 4.691,1022 1.494,1023 7.476,1024 3.864,1025 7.449,1026 1.263,1027 9.03,1028 3.547,1029 6.066,1030 7.097,1031 2.825,1032 10.584,1033 5.883,1034 8.77,1035 1.052,1036 10.727,1037 2.82,1038 6.382,1039 7.69,1040 2.519,1041 12.27,1042 6.16,1043 10.127,1044 1,1045 12.465,1046 2.591,1047 7.901,1048 9.58,1049 3.531,1050 14.874,1051 7.644,1052 11.509,1053 0.902,1054 14.231,1055 2.136,1056 8.618,1057 10.62,1058 3.604,1059 16.911,1060 8.333,1061 12.913,1062 0.42,1063 16.019,1064 2.1,1065 9.9,1066 12.28,1067 4.431,1068 19.329,1069 9.584,1070 3.078,1071 -0.18,1072 17.821,1073 0.976,1074 10.817,1075 13.547,1076 4.707,1077 21.515,1078 10.48,1079 2.97,1080 10.291,1081 19.634,1082 -0.462,1083 11.994,1084 15.104,1085 5.418,1086 23.862,1087 11.631,1088 2.67,1089 9.61,1090 21.456,1091 4.431,1092 13.009,1093 16.483,1094 5.804,1095 26.114,1096 12.629,1097 2.273,1098 8.644,1099 23.285,1100 3.664,1101 14.141,1102 17.996,1103 6.444,1104 28.435,1105 13.74,1106 2.16,1107 6.404,1108 25.12,1109 3.015,1110 15.203,1111 19.429,1112 6.891,1113 30.716,1114 14.786,1115 2.002,1116 5.896,1117 26.958,1118 2.811,1119 16.318,1120 20.924,1121 7.488,1122 33.029,1123 15.883,1124 1.733,1125 5.147,1126 28.8,1127 2.59,1128 17.403,1129 22.384,1130 7.97,1131 35.325,1132 16.954,1133 10603,1134 16373,1135 22.364,1136 38.074,1137 49.293,1138 50.158,1139 49.656,1140 48.963,1141 48.969,1142 60.735,1143 11.947,1144 136.652,1145 46.596,1146 5.501,1147 5.65,1148 6.328,1149 5.161,1150 5.078,1151 7.431,1152 3.024,1153 17.178,1154 5.039,1155 12.428,1156 1.494,1157 1.52,1158 1.505,1159 1.484,1160 1.484,1161 1.84,1162 0.362,1163 4.141,1164 1.412,1165 4.099,1166 4.124,1167 4.05,1168 4.056,1169 7.433,1170 4.052,1171 3.904,1172 3.956,1173 3.852,1174 3.706,1175 4.901,1176 3.735,1177 3.719,1178 3.791,1179 3.599,1180 3.505,1181 4.73,1182 3.517,1183 3.617,1184 3.686,1185 3.494,1186 3.395,1187 4.557,1188 3.399,1189 3.491,1190 3.54,1191 3.385,1192 3.383,1193 4.353,1194 3.386,1195 3.326,1196 3.398,1197 3.203,1198 3.129,1199 4.318,1200 3.133,1201 3.111,1202 3.206,1203 2.95,1204 2.945,1205 4.094,1206 2.934,1207 3.085,1208 3.157,1209 2.891,1210 2.941,1211 3.844,1212 2.91,1213 0.136,1214 0.111,1215 0.198,1216 0.123,1217 0.093,1218 4.501,1219 0.134,1220 3.65,1221 0.052,1222 6.526,1223 0.312,1224 4.058,1225 0.092,1226 3.078,1227 4.431,1228 1.704,1229 10.291,1230 3.039,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.338,1236 2.15,1237 1.801,1238 1.749,1239 1.951,1240 2.025,1241 1.206,1242 2.003,1243 1.668,1244 1.598,1245 1.902,1246 1.913,1247 1.153,1248 1.915,1249 1.547,1250 1.477,1251 1.756,1252 1.805,1253 0.883,1254 1.792,1255 1.494,1256 1.453,1257 1.666,1258 1.635,1259 0.825,1260 1.648,1261 1.288,1262 1.217,1263 1.555,1264 1.523,1265 0.727,1266 1.539,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.669,1272 1.429,1273 1.114,1274 1.042,1275 1.417,1276 1.298,1277 0.57,1278 1.343,1279 4.205,1281 5.509,1283 7.013,1285 8.61,1287 10.258,1289 4.12,1295 5.181,1296 2.962,1297 5.443,1300 6.497,1305 35.858,1306 88.543,1307 200.986,1308 262.405,1309 290.056,1310 299.566,1311 303.566,1312 43.364,1313 7.604,1314 64.7,1315 64.7,1316 24,1317 12.545,1318 3.907,1319 3.248,1320 46.586,1321 108,1322 116,1323 0.199,1324 220.366,1325 386.68,1326 529.452,1327 20817,1329 20.924,1330 0.697,1331 0.589,1332 20.924,1333 17.674,1334 14.597,1335 0.442,1336 0.315,1337 10.221,1338 13.942,1339 9.933,1340 8.235,1341 14.597,1342 10.404,1343 13.097,1344 0.291,1345 0.175,1346 13.097,1347 7.892,1348 10.442,1349 0.18,1350 0.094,1351 10.442,1352 5.451,1353 8.933,1354 0.116,1355 0.049,1356 8.933,1357 3.798,1358 7.663,1359 0.076,1360 0.027,1361 7.663,1362 2.735,1363 0.306,1364 91.909,1365 0.211,1366 27.929,1367 0.569,1368 156,1369 426.384,1370 171.722,1371 409.181,1372 561.27,1373 386,1374 181,1375 408.385,1376 197.114,1377 416.225,1378 607.77,1379 389,1380 4.079}
{0 CHEMBL2165188,1 1.483,2 10.258,3 3.108,4 9.66,5 124.405,6 6.8,7 0.324,8 4.211,9 4.346,10 3.708,11 3.693,12 5.208,13 3.666,14 4.788,15 4.996,16 4.034,17 4.086,18 5.753,19 4.034,20 5.017,21 5.241,22 4.076,23 4.279,24 5.878,25 4.18,26 5.138,27 5.405,28 4.059,29 4.316,30 5.951,31 4.182,32 5.147,33 5.407,34 4.104,35 4.305,36 5.985,37 4.187,38 5.169,39 5.423,40 4.141,41 4.288,42 6.099,43 4.206,44 5.129,45 5.348,46 4.174,47 4.348,48 6.121,49 4.252,50 5.252,51 5.517,52 4.119,53 4.391,54 6.123,55 4.258,56 0.036,57 0.934,58 14.333,59 5.396,60 7.947,61 7.868,62 0.464,63 1.483,64 27.545,65 8.631,66 35.125,67 12.94,68 0.359,69 1.789,70 34.37,71 11.706,72 30.047,73 17.539,74 0.487,75 1.916,76 39.331,77 13.741,78 38.93,79 20.71,80 0.324,81 1.916,82 39.627,83 13.305,84 37.232,85 20.38,86 0.587,87 1.942,88 41.704,89 11.585,90 57.532,91 18.09,92 0.572,93 1.953,94 38.918,95 12.62,96 60.147,97 18.945,98 0.495,99 2.078,100 44.48,101 14.97,102 54.788,103 22.519,104 14,105 46,106 0.239,107 0.55,108 0.735,109 0.807,110 0.832,111 0.842,112 3.472,113 0.962,114 -4.38,115 -4.31,116 -4.07,119 38.7,121 1,124 2,125 7,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 2,175 6,178 3,180 1,183 14,186 1,187 2,195 12,198 5,199 4,202 1,204 2,207 9,211 1,212 4,217 2,220 6,224 9,227 1,229 3,232 6,236 2,237 8,240 1,242 3,245 6,249 3,250 12,255 1,258 2,263 14,275 1854,276 21.137,277 21.137,278 21.137,279 21.137,280 21.137,281 19.33,282 26.745,283 12.841,284 21.717,285 16.857,286 16.857,287 16.857,288 16.857,289 16.857,290 14.041,291 36.607,292 6.161,293 17.754,294 4.471,295 2.544,296 1.398,297 0.952,298 0.799,299 0.734,300 4.171,304 1,305 1,306 685,307 3.674,311 374.217,315 144.064,318 1.428,319 21.42,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 66.5,331 318,332 4.501,333 3.649,334 6.526,335 4.058,336 3.078,337 4.431,338 1.704,339 10.291,340 3.039,341 4.294,342 3.221,343 6.292,344 3.918,345 2.97,346 3.664,347 0.977,348 9.609,349 2.792,350 3.822,351 3.129,352 6.017,353 3.586,354 2.666,355 3.014,356 0.946,357 8.641,358 2.45,359 3.517,360 2.939,361 5.222,362 3.221,363 2.264,364 2.81,365 0.86,366 6.401,367 2.163,368 3.434,369 2.57,370 5.022,371 3.129,372 2.2,373 2.589,374 0.8,375 5.883,376 2.046,377 3.225,378 2.373,379 4.659,380 3,381 2.011,382 2.427,383 0.399,384 5.176,385 1.971,386 3.118,387 2.215,388 4.388,389 2.659,390 1.734,391 2.227,392 0.257,393 4.314,394 1.618,395 2.93,396 1.779,397 4.264,398 2.618,399 1.618,400 1.93,401 0.03,402 3.903,403 1.595,404 2.773,405 1.624,406 4.092,407 2.382,408 1.436,409 1.898,411 3.649,412 1.35,413 2.679,414 1.618,415 3.592,416 2.271,417 1.272,418 1.646,420 2.83,421 1.27,422 2.345,423 1.283,424 3.49,425 2.006,426 1.076,427 1.29,428 2.599,429 1.001,430 2.21,431 1.256,432 3.366,433 1.952,434 1,435 1.15,436 2.282,437 0.946,438 2,439 1.137,440 3.247,441 1.937,442 1,443 1,445 2.136,446 0.926,447 1.935,448 0.873,449 3.159,450 1.707,451 0.74,452 0.862,454 1.734,455 0.714,456 1.251,457 0.674,458 2.75,459 0.948,460 -0.025,461 -0.029,463 -0.062,464 -0.024,465 14.667,466 0.473,467 0.661,468 0.021,469 35.5,470 1.145,471 14.5,472 0.468,473 21,474 0.677,475 29.505,476 0.952,477 34.533,478 0.557,479 28.841,480 0.93,481 7.357,482 0.237,483 7.74,484 0.25,485 0.091,487 0.286,493 0.847,494 1.62,495 0.863,496 1.273,497 0.616,498 1.096,499 1.168,500 0.905,501 0.997,502 0.834,503 0.592,504 0.875,505 1.015,506 1.134,507 1.075,508 1.067,509 0.793,510 1.073,511 0.518,512 0.924,513 0.903,514 0.993,515 0.579,516 0.993,517 0.726,518 1.175,519 0.878,520 1.072,521 0.861,522 1.003,523 1.564,524 0.89,525 1.082,526 0.796,527 1.865,528 0.85,529 1.118,530 1.172,531 1.141,532 1.121,533 1.489,534 1.129,535 0.866,536 0.979,537 0.981,538 1.015,539 1.028,540 1.012,541 5.5,542 0.165,543 2.889,544 1.563,545 1.4,546 1.028,547 0.613,548 0.455,549 0.477,550 0.331,551 12200,552 27908,553 2.104,554 50,556 28,559 1,562 2,564 1.746,565 2,566 3.3,567 -0.361,569 1,573 91.931,574 1.483,575 3.41,576 4.556,577 5.002,578 5.156,579 5.22,580 2.674,581 4.696,582 4.926,583 3.493,584 1624.08,585 8.655,586 23317.1,588 1,591 369.16,592 1.277,593 4.899,594 0.162,595 0.005,596 0.063,597 0.033,598 0.031,599 0.022,600 0.013,601 0.009,602 0.01,603 0.008,604 0.356,605 0.17,606 1,607 1.125,608 159.27,609 0.002,610 -0.344,611 0.078,612 -0.142,613 -0.009,614 -0.042,615 0.029,616 0.258,617 0.01,618 0.153,619 0.13,620 0.089,621 -0.09,622 -0.046,623 -0.106,624 -0.042,625 -0.065,626 -0.072,627 0.176,628 0.089,629 0.051,630 0.006,631 0.072,632 0.009,633 0.071,634 -0.175,635 0.086,636 -0.072,637 0.013,638 -0.003,639 -0.225,640 0.15,641 -0.048,642 0.124,643 -0.203,644 0.076,645 0.019,646 -0.09,647 -0.15,648 -0.116,649 -0.025,650 -0.149,651 0.022,652 0.008,653 -0.008,654 -0.026,655 0.006,656 -0.021,657 1.977,658 5.446,659 0.71,660 29.039,661 0.994,662 1.134,663 3.15,664 9.921,665 0.643,666 3.555,667 3.85,668 4.094,669 4.369,670 4.625,671 4.673,672 4.828,673 4.934,674 5.063,675 5.05,676 6.508,677 0.603,678 421.6,679 3.555,680 5.081,681 5.916,682 6.783,683 7.64,684 8.515,685 9.381,686 10.26,687 11.132,688 12.012,689 8.1,692 3,696 1,698 1,703 2,704 7,709 1,711 11,731 62,733 14,734 2,735 34,737 65,738 24,739 10,740 3,741 7,742 4,746 4,747 5,758 1,761 14,762 10,766 3,771 1,773 1,774 1,775 3,778 1,781 31,782 7,783 1,784 7,790 5,791 1,794 0.75,795 2,812 4,816 1,831 1,836 3,839 1,840 3,844 2,848 31,854 8,855 1,856 1,859 3,870 3.2,873 1,874 1,877 15.5,878 11.55,879 6.861,880 3.739,881 2.817,882 1.369,883 0.978,884 7.228,885 10.458,886 3.773,887 4.297,888 4.832,889 5.392,890 5.923,891 6.143,892 6.485,893 6.816,894 7.187,895 7.143,896 0.857,897 47,898 11.494,900 4.761,901 7.565,902 22.494,904 18.308,905 2.065,906 64,909 1,910 353.133,911 132.114,912 44.169,914 36.145,917 132.114,918 389.278,919 44.169,920 16.793,921 40.259,922 75.81,923 38.473,924 36.818,925 4.276,926 353.133,928 353.133,929 176.283,930 36.145,933 329.591,934 48.687,935 11,937 66.417,938 100.39,939 9.476,941 353.133,942 80.314,943 132.114,946 353.133,947 39.511,948 101.976,949 18.011,950 52.93,951 353.133,952 80.314,953 132.114,955 0.57,956 0.319,957 0.179,958 0.103,959 21,960 9,961 0.123,962 8,963 1,964 1.091,965 4.182,966 281.694,967 0.091,968 22,969 143.58,974 21.815,975 10.271,976 5.645,977 2.47,978 80.314,979 14.855,984 1.244,986 18.011,987 565.561,988 42.5,993 12.446,995 2.007,996 4.23,997 1.222,999 61.65,1000 70.308,1001 0.249,1002 0.573,1003 0.765,1004 0.84,1005 0.866,1006 0.877,1007 5.009,1008 1.618,1009 5.878,1010 4.314,1011 4.533,1012 4.984,1013 2.497,1014 6.653,1015 4.439,1016 6.176,1017 1.436,1018 7.407,1019 3.903,1020 4.007,1021 4.691,1022 1.494,1023 7.476,1024 3.864,1025 7.46,1026 1.272,1027 9.038,1028 3.649,1029 6.08,1030 7.102,1031 2.825,1032 10.586,1033 5.899,1034 8.778,1035 1.076,1036 10.732,1037 2.83,1038 6.382,1039 7.69,1040 2.519,1041 12.27,1042 6.16,1043 10.132,1044 1,1045 12.468,1046 2.599,1047 7.909,1048 9.581,1049 3.531,1050 14.873,1051 7.653,1052 11.513,1053 1,1054 14.234,1055 2.282,1056 8.618,1057 10.62,1058 3.604,1059 16.911,1060 8.333,1061 12.915,1062 0.74,1063 16.02,1064 2.136,1065 9.903,1066 12.28,1067 4.431,1068 19.328,1069 9.589,1070 3.078,1071 -0.025,1072 17.821,1073 1.734,1074 10.817,1075 13.547,1076 4.707,1077 21.515,1078 10.48,1079 2.97,1080 10.291,1081 19.634,1082 -0.062,1083 11.995,1084 15.104,1085 5.418,1086 23.862,1087 11.633,1088 2.666,1089 9.609,1090 21.456,1091 4.431,1092 13.007,1093 16.483,1094 5.804,1095 26.113,1096 12.628,1097 2.264,1098 8.641,1099 23.285,1100 3.664,1101 14.14,1102 17.996,1103 6.444,1104 28.434,1105 13.74,1106 2.2,1107 6.401,1108 25.119,1109 3.014,1110 15.201,1111 19.429,1112 6.891,1113 30.716,1114 14.786,1115 2.011,1116 5.883,1117 26.958,1118 2.81,1119 16.316,1120 20.924,1121 7.488,1122 33.028,1123 15.883,1124 1.734,1125 5.176,1126 28.8,1127 2.589,1128 17.4,1129 22.384,1130 7.97,1131 35.324,1132 16.954,1133 11667,1134 17807,1135 23.057,1136 39.836,1137 50.567,1138 51.414,1139 50.993,1140 50.119,1141 50.125,1142 61.878,1143 11.947,1144 138.891,1145 47.76,1146 5.501,1147 5.649,1148 6.328,1149 5.161,1150 5.078,1151 7.431,1152 3.024,1153 17.178,1154 5.039,1155 12.881,1156 1.487,1157 1.512,1158 1.5,1159 1.474,1160 1.474,1161 1.82,1162 0.351,1163 4.085,1164 1.405,1165 4.099,1166 4.124,1167 4.051,1168 4.056,1169 7.433,1170 4.052,1171 3.905,1172 3.958,1173 3.852,1174 3.71,1175 4.901,1176 3.738,1177 3.733,1178 3.806,1179 3.605,1180 3.532,1181 4.73,1182 3.539,1183 3.645,1184 3.711,1185 3.522,1186 3.431,1187 4.556,1188 3.44,1189 3.499,1190 3.55,1191 3.396,1192 3.39,1193 4.351,1194 3.387,1195 3.387,1196 3.46,1197 3.255,1198 3.175,1199 4.326,1200 3.182,1201 3.174,1202 3.248,1203 3.005,1204 3.039,1205 4.127,1206 3.022,1207 3.111,1208 3.206,1209 2.922,1210 2.941,1211 3.844,1212 2.91,1213 0.132,1214 0.107,1215 0.192,1216 0.119,1217 0.091,1218 4.501,1219 0.13,1220 3.649,1221 0.05,1222 6.526,1223 0.303,1224 4.058,1225 0.089,1226 3.078,1227 4.431,1228 1.704,1229 10.291,1230 3.039,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.343,1236 2.15,1237 1.805,1238 1.752,1239 1.966,1240 2.026,1241 1.24,1242 2.005,1243 1.695,1244 1.625,1245 1.926,1246 1.927,1247 1.201,1248 1.934,1249 1.577,1250 1.514,1251 1.781,1252 1.827,1253 0.933,1254 1.816,1255 1.494,1256 1.453,1257 1.669,1258 1.657,1259 0.825,1260 1.661,1261 1.359,1262 1.277,1263 1.639,1264 1.579,1265 0.772,1266 1.608,1267 1.19,1268 1.125,1269 1.513,1270 1.382,1271 0.715,1272 1.429,1273 1.153,1274 1.064,1275 1.447,1276 1.376,1277 0.583,1278 1.411,1279 4.234,1281 5.533,1283 7.031,1285 8.623,1287 10.266,1289 4.166,1295 6.353,1296 2.981,1297 5.454,1300 6.57,1305 37.385,1306 91.931,1307 211.401,1308 282.489,1309 310.141,1310 319.65,1311 323.65,1312 46.354,1313 7.641,1314 64.7,1315 64.7,1316 24,1317 12.55,1318 3.907,1319 3.248,1320 48.922,1321 114,1322 123,1323 0.195,1324 229.958,1325 403.98,1326 552.857,1327 21688,1329 21.631,1330 0.698,1331 0.593,1332 21.631,1333 18.381,1334 15.097,1335 0.444,1336 0.321,1337 10.721,1338 14.442,1339 10.423,1340 8.65,1341 15.097,1342 10.904,1343 13.45,1344 0.292,1345 0.179,1346 13.45,1347 8.246,1348 10.684,1349 0.181,1350 0.096,1351 10.684,1352 5.667,1353 9.174,1354 0.118,1355 0.052,1356 9.174,1357 4.055,1358 7.668,1359 0.076,1360 0.027,1361 7.668,1362 2.772,1363 0.301,1364 94.909,1365 0.208,1366 28.772,1367 0.557,1368 160,1369 430.384,1370 175.722,1371 413.343,1372 567.03,1373 390,1374 185,1375 412.385,1376 201.087,1377 420.383,1378 613.44,1379 393,1380 4.079}
{0 CHEMBL2165189,1 1.544,2 10.207,3 2.745,4 7.536,5 112.231,6 7.173,7 0.344,8 4.108,9 4.23,10 3.643,11 3.6,12 5.168,13 3.588,14 4.669,15 4.849,16 3.994,17 3.995,18 5.722,19 3.958,20 4.929,21 5.143,22 4.049,23 4.176,24 5.864,25 4.102,26 4.985,27 5.22,28 4.035,29 4.22,30 5.894,31 4.113,32 5.063,33 5.308,34 4.071,35 4.22,36 6.015,37 4.12,38 5.059,39 5.294,40 4.059,41 4.157,42 6.105,43 4.093,44 4.984,45 5.197,46 4.064,47 4.13,48 6.183,49 4.056,50 4.994,51 5.243,52 3.863,53 4.071,54 5.996,55 3.964,56 0.038,57 0.817,58 12.025,59 4.886,60 9.983,61 6.631,62 0.394,63 1.315,64 23.239,65 8.025,66 37.024,67 11.164,68 0.487,69 1.61,70 31.284,71 10.39,72 39.38,73 14.922,74 0.404,75 1.719,76 32.747,77 11.711,78 34.815,79 17.145,80 0.388,81 1.754,82 36.332,83 12.332,84 50.552,85 18.201,86 0.561,87 1.709,88 37.112,89 10.502,90 70.8,91 15.398,92 0.748,93 1.592,94 33.739,95 10.676,96 93.98,97 15.326,98 0.419,99 1.529,100 34.826,101 11.208,102 64.288,103 16.151,104 12,105 44,106 0.255,107 0.599,108 0.77,109 0.852,110 0.892,111 0.904,112 3.409,113 0.932,114 -3.95,115 -3.91,116 -3.71,119 40,120 1,125 6,127 1,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 2,175 5,178 3,180 1,183 14,186 1,187 3,190 1,195 12,198 4,199 4,202 1,204 1,207 7,211 1,212 5,216 1,217 4,220 5,224 4,229 5,232 3,236 2,237 8,240 4,242 7,245 3,250 9,255 4,258 1,263 10,268 1,271 1,275 1381,276 19.886,277 19.886,278 19.886,279 19.886,280 19.886,281 18.079,282 22.198,283 11.974,284 20.384,285 15.823,286 15.823,287 15.823,288 15.823,289 15.823,290 13.006,291 29.941,292 5.64,293 16.626,294 4.238,295 2.153,296 1.117,297 0.623,298 0.377,299 0.305,300 4.108,304 1,305 1,306 643,307 3.162,311 337.386,315 129.857,318 1.47,319 26.068,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 63,331 296,332 4.501,333 3.651,334 6.526,335 4.058,336 3.079,337 4.431,338 1.704,339 10.291,340 3.039,341 4.298,342 3.222,343 6.3,344 3.928,345 2.98,346 3.665,347 0.977,348 9.643,349 2.8,350 3.839,351 3.177,352 6.033,353 3.626,354 2.705,355 3.018,356 0.946,357 8.712,358 2.486,359 3.559,360 2.944,361 5.24,362 3.285,363 2.338,364 2.82,365 0.86,366 6.543,367 2.211,368 3.44,369 2.684,370 5.106,371 3.032,372 2.081,373 2.625,374 0.399,375 6.071,376 1.995,377 3.241,378 2.222,379 4.903,380 2.993,381 2.007,382 2.427,383 0.257,384 5.62,385 1.937,386 3.118,387 1.869,388 4.33,389 2.618,390 1.618,391 2.269,392 0.03,393 4.038,394 1.618,395 2.784,396 1.721,397 4.153,398 2.451,399 1.494,400 1.906,402 3.732,403 1.421,404 2.737,405 1.618,406 4.07,407 2.273,408 1.327,409 1.724,411 3.429,412 1.271,413 2.49,414 1.546,415 3.592,416 2.262,417 1.272,418 1.434,420 2.825,421 1.236,422 2.351,423 1.368,424 3.471,425 1.988,426 1.062,427 1.3,428 2.496,429 0.981,430 2.128,431 1.261,432 3.349,433 1.94,434 1,435 1.101,436 2.172,437 0.93,438 1.926,439 0.939,440 3.051,441 1.658,442 0.72,443 0.844,445 1.419,446 0.671,447 1.243,448 0.677,449 2.738,450 0.876,451 -0.087,452 -0.105,454 -0.194,455 -0.083,456 1.157,457 0.215,458 2.636,459 0.642,460 -0.37,461 -0.388,463 -0.864,464 -0.346,465 13.6,466 0.469,467 0.623,468 0.021,469 34,470 1.172,471 14.5,472 0.5,473 19.5,474 0.672,475 26.325,476 0.908,477 32,478 0.582,479 27.071,480 0.933,481 6.997,482 0.241,483 7.139,484 0.246,485 0.086,487 0.316,493 0.875,494 1.475,495 0.823,496 1.176,497 0.747,498 1.016,499 1.001,500 1.006,501 0.955,502 0.94,503 0.671,504 0.937,505 1.085,506 1.028,507 1.041,508 0.92,509 0.789,510 0.963,511 0.542,512 1.031,513 0.966,514 1.085,515 0.547,516 1.085,517 0.739,518 1.145,519 0.895,520 1.074,521 0.847,522 1.018,523 1.496,524 0.971,525 1.125,526 0.885,527 1.714,528 0.918,529 1.008,530 1.071,531 1.067,532 1.069,533 1.267,534 1.073,535 1.174,536 1.004,537 1.054,538 1.034,539 1.328,540 1.023,541 5.5,542 0.095,543 2.889,544 1.625,545 1.671,546 0.972,547 0.594,548 0.467,549 0.337,550 0.206,551 10314,552 25986,553 2.111,554 47.3,556 21,559 2,561 3,564 1.725,565 2,566 3.345,567 0.228,568 1,569 1,573 84.901,574 1.544,575 3.629,576 4.665,577 5.158,578 5.404,579 5.477,580 2.738,581 4.789,582 4.833,583 3.491,584 1417.26,585 8.446,586 18936.6,588 1,590 1,591 317.975,592 1.314,593 4.8,594 0.172,595 0.005,596 0.066,597 0.035,598 0.038,599 0.022,600 0.014,601 0.011,602 0.01,603 0.007,604 0.378,605 0.33,606 1,607 0.841,608 145.673,609 -0.059,610 -0.241,611 0.055,612 -0.073,613 -0.076,614 -0.006,615 0.038,616 0.145,617 -0.003,618 0.063,619 0.054,620 0.023,621 -0.099,622 0.037,623 -0.077,624 0.073,625 -0.076,626 0.009,627 0.109,628 0.033,629 -0.037,630 -0.082,631 0.033,632 -0.085,633 0.069,634 -0.151,635 0.066,636 -0.084,637 0.016,638 -0.022,639 -0.245,640 0.054,641 -0.103,642 0.034,643 -0.219,644 0.004,645 0.193,646 -0.044,647 -0.069,648 -0.103,649 0.197,650 -0.124,651 -0.117,652 -0.055,653 -0.055,654 -0.068,655 -0.055,656 -0.049,657 2.058,658 5.295,659 0.759,660 24.419,661 1.002,662 1.131,663 2.724,664 7.419,665 0.65,666 3.497,667 3.807,668 4.078,669 4.369,670 4.625,671 4.654,672 4.796,673 4.868,674 4.984,675 4.934,676 6.265,677 0.619,678 394.52,679 3.497,680 5.03,681 5.878,682 6.756,683 7.622,684 8.505,685 9.379,686 10.263,687 11.14,688 12.024,689 7.3,692 2,696 1,698 1,703 2,704 7,709 1,711 11,731 55,733 14,734 2,735 32,737 58,738 22,739 10,740 3,741 7,742 4,746 4,747 5,752 2,755 1,758 1,761 14,762 8,766 3,771 1,773 1,774 1,775 3,778 1,781 26,782 7,783 2,784 7,790 4,791 1,794 0.75,795 3,796 1,812 4,816 1,831 1,836 2,838 1,839 1,840 3,844 1,848 29,853 1,854 6,855 1,856 1,858 1,859 2,870 5.5,871 1,873 1,874 1,877 14.5,878 9.883,879 6.444,880 3.311,881 2.883,882 1.378,883 0.965,884 6.14,885 10.506,886 3.726,887 4.27,888 4.824,889 5.392,890 5.926,891 6.14,892 6.484,893 6.798,894 7.165,895 7.088,896 0.857,897 46,898 10.757,900 4.555,901 7.718,902 20.721,904 17.076,905 2.218,906 64.333,909 1,910 282.506,911 114.914,912 41.045,914 78.828,917 114.914,918 361.335,919 41.045,920 8.825,921 31.026,922 118.493,923 38.473,924 33.694,925 4.276,926 282.506,928 282.506,929 155.958,930 78.828,933 247.193,934 60.458,935 53.683,937 62.885,938 83.597,939 9.476,941 282.506,942 119.873,943 114.914,946 282.506,947 30.278,948 90.884,949 18.011,950 95.614,951 282.506,952 119.873,953 114.914,955 0.571,956 0.333,957 0.194,958 0.113,959 21,960 9,961 0.103,962 6,963 1,964 1.091,965 3.994,966 260.434,967 0.091,968 22,969 138.881,974 19.894,975 8.95,976 4.611,977 2.33,978 119.873,979 14.42,984 1.135,986 60.694,987 517.293,988 40.5,993 12.295,995 1.889,996 4.162,997 0.901,999 55.109,1000 62.189,1001 0.267,1002 0.628,1003 0.807,1004 0.892,1005 0.935,1006 0.947,1007 4.968,1008 1.494,1009 5.849,1010 4.038,1011 4.489,1012 4.956,1013 2.414,1014 6.648,1015 4.397,1016 6.147,1017 1.327,1018 7.393,1019 3.732,1020 4.007,1021 4.691,1022 1.404,1023 7.496,1024 3.873,1025 7.44,1026 1.272,1027 9.037,1028 3.429,1029 6.061,1030 7.095,1031 2.797,1032 10.61,1033 5.881,1034 8.766,1035 1.062,1036 10.741,1037 2.825,1038 6.399,1039 7.695,1040 2.494,1041 12.293,1042 6.178,1043 10.128,1044 1,1045 12.484,1046 2.496,1047 7.912,1048 9.582,1049 3.523,1050 14.9,1051 7.653,1052 11.514,1053 0.72,1054 14.253,1055 2.172,1056 8.646,1057 10.623,1058 3.599,1059 16.933,1060 8.355,1061 12.919,1062 -0.087,1063 16.041,1064 1.419,1065 9.922,1066 12.282,1067 4.429,1068 19.353,1069 9.6,1070 3.079,1071 -0.37,1072 17.843,1073 -0.194,1074 10.85,1075 13.549,1076 4.706,1077 21.537,1078 10.502,1079 2.98,1080 10.291,1081 19.657,1082 -0.864,1083 12.024,1084 15.106,1085 5.417,1086 23.884,1087 11.65,1088 2.705,1089 9.643,1090 21.478,1091 4.431,1092 13.044,1093 16.485,1094 5.804,1095 26.135,1096 12.649,1097 2.338,1098 8.712,1099 23.306,1100 3.665,1101 14.175,1102 17.997,1103 6.444,1104 28.456,1105 13.758,1106 2.081,1107 6.543,1108 25.14,1109 3.018,1110 15.24,1111 19.43,1112 6.891,1113 30.737,1114 14.805,1115 2.007,1116 6.071,1117 26.978,1118 2.82,1119 16.354,1120 20.925,1121 7.488,1122 33.049,1123 15.9,1124 1.618,1125 5.62,1126 28.819,1127 2.625,1128 17.44,1129 22.384,1130 7.97,1131 35.345,1132 16.971,1133 9806,1134 15684,1135 21.671,1136 35.762,1137 47.916,1138 48.907,1139 48.747,1140 47.366,1141 47.368,1142 59.125,1143 10.347,1144 133.981,1145 45.195,1146 5.501,1147 5.651,1148 6.289,1149 5.163,1150 5.079,1151 7.431,1152 3.024,1153 17.179,1154 5.039,1155 12.154,1156 1.497,1157 1.528,1158 1.523,1159 1.48,1160 1.48,1161 1.848,1162 0.323,1163 4.187,1164 1.412,1165 4.098,1166 4.123,1167 4.05,1168 4.056,1169 7.433,1170 4.051,1171 3.909,1172 3.96,1173 3.856,1174 3.713,1175 6.456,1176 3.741,1177 3.723,1178 3.779,1179 3.618,1180 3.523,1181 4.9,1182 3.536,1183 3.539,1184 3.592,1185 3.437,1186 3.402,1187 4.732,1188 3.398,1189 3.452,1190 3.5,1191 3.329,1192 3.277,1193 4.569,1194 3.285,1195 3.27,1196 3.36,1197 3.062,1198 3.092,1199 4.34,1200 3.07,1201 3.193,1202 3.25,1203 3.055,1204 3.051,1205 4.122,1206 3.041,1207 3.005,1208 3.067,1209 2.922,1210 2.756,1211 3.846,1212 2.795,1213 0.141,1214 0.114,1215 0.204,1216 0.127,1217 0.096,1218 4.501,1219 0.138,1220 3.651,1221 0.053,1222 6.526,1223 0.322,1224 4.058,1225 0.095,1226 3.079,1227 4.431,1228 1.704,1229 10.291,1230 3.039,1231 2.082,1232 2.063,1233 2.167,1234 2.14,1235 1.335,1236 2.15,1237 1.809,1238 1.758,1239 1.969,1240 2.031,1241 1.238,1242 2.011,1243 1.664,1244 1.61,1245 1.853,1246 1.893,1247 1.081,1248 1.883,1249 1.503,1250 1.461,1251 1.683,1252 1.716,1253 0.904,1254 1.703,1255 1.432,1256 1.374,1257 1.668,1258 1.601,1259 0.792,1260 1.626,1261 1.293,1262 1.209,1263 1.61,1264 1.521,1265 0.718,1266 1.563,1267 1.183,1268 1.129,1269 1.433,1270 1.387,1271 0.58,1272 1.402,1273 0.929,1274 0.851,1275 1.306,1276 1.236,1277 0.48,1278 1.254,1279 4.174,1281 5.485,1283 7,1285 8.612,1287 10.272,1289 2.013,1294 9.635,1295 2.964,1296 2.841,1297 5.597,1299 0.095,1300 4.056,1305 34.025,1306 84.901,1307 199.568,1308 256.549,1309 283.71,1310 297.22,1311 301.22,1312 46.671,1313 7.623,1314 81.69,1315 81.69,1316 24,1317 12.559,1318 3.907,1319 3.248,1320 44.429,1321 107,1322 101,1323 0.198,1324 207.975,1325 367.17,1326 499.219,1327 21856,1329 20.217,1330 0.697,1331 0.57,1332 20.217,1333 16.544,1334 14.135,1335 0.442,1336 0.311,1337 9.782,1338 13.519,1339 9.571,1340 7.876,1341 14.135,1342 9.942,1343 12.548,1344 0.285,1345 0.167,1346 12.548,1347 7.341,1348 10.314,1349 0.178,1350 0.09,1351 10.314,1352 5.234,1353 9.06,1354 0.116,1355 0.049,1356 9.06,1357 3.832,1358 7.614,1359 0.075,1360 0.026,1361 7.614,1362 2.65,1363 0.305,1364 88.971,1365 0.215,1366 27.186,1367 0.559,1368 152,1369 434.889,1370 168.41,1371 413.424,1372 565.55,1373 390,1374 178,1375 410.401,1376 193.805,1377 413.315,1378 607.75,1379 390,1380 4.565}
{0 CHEMBL2165191,1 1.604,2 10.2,3 1.978,4 3.912,5 114.75,6 7.565,7 0.182,8 4.099,9 4.213,10 3.673,11 3.592,12 5.229,13 3.593,14 4.645,15 4.815,16 4.052,17 3.985,18 5.815,19 3.969,20 4.896,21 5.089,22 4.15,23 4.166,24 5.977,25 4.126,26 4.986,27 5.202,28 4.163,29 4.198,30 6.123,31 4.139,32 5.01,33 5.222,34 4.138,35 4.217,36 6.097,37 4.155,38 5.047,39 5.255,40 4.071,41 4.202,42 6.18,43 4.128,44 5.017,45 5.248,46 4.007,47 4.138,48 6.111,49 4.057,50 4.891,51 5.116,52 3.962,53 4.079,54 5.959,55 3.992,56 0.081,57 0.803,58 10.872,59 4.727,60 12.186,61 6.082,62 0.448,63 1.295,64 21.424,65 7.661,66 47.134,67 10.342,68 0.444,69 1.609,70 28.417,71 9.673,72 42.826,73 13.467,74 0.653,75 1.707,76 32.216,77 10.802,78 64.754,79 15.269,80 0.516,81 1.708,82 32.985,83 11.239,84 70.621,85 15.646,86 0.685,87 1.708,88 34.933,89 11.536,90 90.709,91 15.596,92 0.781,93 1.604,94 35.424,95 11.281,96 99.233,97 15.696,98 0.531,99 1.479,100 29.715,101 10.439,102 55.512,103 14.791,104 27,105 47,106 0.265,107 0.657,108 0.825,109 0.856,110 0.862,111 0.862,112 3.441,113 0.899,114 -4.21,115 -4.15,116 -3.92,119 40.7,120 2,125 4,127 1,135 2,136 2,137 1,139 1,142 4,143 1,144 1,158 3,167 1,170 1,172 7,173 1,174 3,175 8,178 1,180 5,183 7,184 1,186 1,187 4,192 4,193 1,195 4,196 2,198 3,199 8,202 3,203 1,204 4,207 7,208 1,211 1,212 6,217 2,220 9,221 2,224 9,227 2,229 3,232 7,233 1,236 2,237 7,238 2,242 1,245 5,246 1,249 2,250 8,253 2,255 1,258 5,259 1,263 7,264 2,266 1,268 1,271 3,272 1,275 1504,276 20.068,277 20.068,278 20.068,279 20.068,280 20.068,281 18.272,282 29.448,283 11.792,284 20.524,285 16.299,286 16.299,287 16.299,288 16.299,289 16.299,290 13.384,291 42.222,292 5.602,293 17.021,294 4.151,295 1.782,296 0.769,297 0.584,298 0.546,299 0.546,300 4.134,304 1,305 1,306 657,307 3.391,311 332.459,315 126.392,318 1.56,319 36.777,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 66,331 306,332 4.536,333 3.773,334 6.81,335 4.195,336 3.24,337 3.968,338 1.437,339 11.255,340 3.096,341 4.321,342 3.609,343 6.417,344 3.958,345 2.974,346 3.914,347 1.261,348 9.808,349 2.922,350 4.047,351 3.246,352 6.146,353 3.728,354 2.782,355 3.343,356 0.938,357 9.047,358 2.642,359 3.723,360 3.112,361 5.935,362 3.48,363 2.517,364 2.89,365 0.86,366 8.153,367 2.4,368 3.528,369 2.754,370 5.073,371 3.161,372 2.173,373 2.659,374 0.703,375 5.97,376 2.143,377 3.382,378 2.454,379 5.015,380 2.97,381 1.986,382 2.597,383 0.657,384 5.705,385 1.937,386 3.152,387 2.425,388 4.771,389 2.727,390 1.78,391 2.254,392 0.236,393 4.798,394 1.701,395 2.941,396 2.259,397 4.506,398 2.684,399 1.735,400 1.995,402 4.54,403 1.61,404 2.886,405 1.692,406 4.011,407 2.415,408 1.427,409 1.935,411 3.284,412 1.407,413 2.532,414 1.575,415 3.693,416 2.073,417 1.172,418 1.476,420 2.857,421 1.051,422 2.403,423 1.33,424 3.524,425 2.005,426 1,427 1.296,428 2.52,429 0.994,430 2.237,431 1.275,432 3.466,433 1.952,434 1,435 1.158,436 2.304,437 0.946,438 2,439 1.256,440 3.247,441 1.91,442 0.956,443 1,445 2.136,446 0.903,447 1.731,448 0.829,449 3.038,450 1.134,451 0.162,452 0.217,454 0.434,455 0.156,456 1.173,457 0.46,458 2.754,459 0.856,460 -0.117,461 -0.14,463 -0.284,464 -0.113,465 13.933,466 0.464,467 0.822,468 0.027,469 35.75,470 1.192,471 15.5,472 0.517,473 20.25,474 0.675,475 27.734,476 0.924,477 32.867,478 0.609,479 30.436,480 1.015,481 7.35,482 0.245,483 7.086,484 0.236,485 0.144,487 0.38,493 0.814,494 1.456,495 0.77,496 1.155,497 0.669,498 0.982,499 0.821,500 1.104,501 0.826,502 0.925,503 0.469,504 0.878,505 0.943,506 1.213,507 0.96,508 1.022,509 0.734,510 0.988,511 0.739,512 0.971,513 0.941,514 0.983,515 0.794,516 0.989,517 0.943,518 1.105,519 1.002,520 1.054,521 0.978,522 1.032,523 1.216,524 1.065,525 1.205,526 1.089,527 1.387,528 1.134,529 1.099,530 0.923,531 1.041,532 0.894,533 1.281,534 0.946,535 0.673,536 1.018,537 0.949,538 1.077,539 0.643,540 1.065,541 6,542 0.124,543 3.556,544 2.188,545 2.222,546 1.437,547 0.712,548 0.512,549 0.456,550 0.302,551 10835,552 30970,553 2.067,554 44.4,555 3,556 15,557 1,559 2,561 3,564 1.735,565 1.915,566 3.333,567 0.243,568 1,569 1,573 86.617,574 1.604,575 3.972,576 4.986,577 5.171,578 5.208,579 5.208,580 2.749,581 4.415,582 4.879,583 3.495,584 1520.19,585 8.546,586 20526.6,588 1,590 1,591 310.764,592 1.475,593 4.828,594 0.182,595 0.006,596 0.076,597 0.043,598 0.044,599 0.029,600 0.016,601 0.012,602 0.011,603 0.009,604 0.429,605 0.33,606 1,607 0.758,608 151.703,609 -0.072,610 -0.24,611 0.045,612 -0.073,613 -0.074,614 -0.006,615 0.074,616 0.036,617 0.079,618 0.076,619 0.151,620 0.075,621 -0.096,622 -0.115,623 -0.038,624 -0.035,625 -0.031,626 -0.026,627 0.091,628 0.103,629 0.003,630 -0.016,631 0.048,632 -0.024,633 -0.081,634 -0.065,635 -0.057,636 -0.067,637 -0.07,638 -0.054,639 -0.175,640 -0.05,641 -0.234,642 -0.115,643 -0.183,644 -0.175,645 -0.073,646 0.04,647 -0.043,648 0.076,649 -0.114,650 0.032,651 0.105,652 -0.006,653 -0.002,654 -0.08,655 0.076,656 -0.065,657 2.664,658 5.838,659 0.733,660 26.942,661 1.01,662 1.129,663 2.98,664 8.88,665 0.657,666 3.526,667 3.871,668 4.159,669 4.454,670 4.727,671 4.787,672 4.956,673 5.069,674 5.187,675 5.236,676 6.269,677 0.634,678 408.5,679 3.526,680 5.081,681 5.943,682 6.836,683 7.719,684 8.617,685 9.509,686 10.41,687 11.307,688 12.21,689 7.4,692 1,694 1,696 1,698 1,704 4,709 2,711 6,720 1,724 1,731 54,733 12,734 1,735 33,737 57,738 22,739 6,740 2,741 4,742 9,746 4,747 5,752 2,758 1,761 15,762 7,766 6,771 2,773 3,774 1,775 6,778 1,781 24,782 8,783 2,784 8,790 4,791 1,794 0.75,795 4,812 4,816 1,827 1,831 2,832 2,836 1,838 1,839 1,840 3,844 2,848 30,853 1,854 4,855 1,856 1,858 1,859 2,870 7.4,872 1,873 2,874 1,877 15.667,878 10.217,879 6.528,880 3.233,881 2.743,882 1.351,883 0.959,884 5.862,885 10.563,886 3.761,887 4.297,888 4.826,889 5.342,890 5.844,891 6.044,892 6.394,893 6.664,894 6.969,895 7.173,896 0.857,897 51,898 11.149,900 4.826,901 7.889,902 21.015,904 17.303,905 2.389,906 71.667,910 258.964,911 119.535,912 41.045,914 103.973,917 119.535,918 362.937,919 41.045,920 17.65,921 25.568,922 56.857,923 129.926,924 34.551,925 11.771,926 247.193,928 258.964,929 160.58,930 103.973,933 223.651,934 128.287,935 11,937 54.081,938 69.536,939 36.963,941 258.964,942 145.018,943 119.535,946 258.964,947 35.98,948 89.804,949 18.011,950 120.759,951 258.964,952 145.018,953 119.535,955 0.586,956 0.346,957 0.195,958 0.112,959 23,960 11,961 0.088,962 5,963 1,964 1.091,965 3.977,966 278.713,967 0.091,968 22,969 143.207,974 20.542,975 8.561,976 4.268,978 145.018,979 6.772,984 0.712,986 60.694,987 523.518,988 42,993 24.395,995 5.306,996 4.798,997 1.782,999 54.552,1000 60.983,1001 0.279,1002 0.69,1003 0.866,1004 0.899,1005 0.905,1006 0.905,1007 5.034,1008 1.735,1009 5.943,1010 4.798,1011 4.554,1012 4.984,1013 2.57,1014 6.783,1015 4.475,1016 6.235,1017 1.427,1018 7.521,1019 4.54,1020 4.205,1021 4.771,1022 0.57,1023 7.738,1024 4.103,1025 7.546,1026 1.172,1027 9.202,1028 3.284,1029 6.172,1030 7.065,1031 2.831,1032 10.867,1033 6.016,1034 8.887,1035 1,1036 10.941,1037 2.857,1038 6.621,1039 7.639,1040 0.941,1041 12.641,1042 6.44,1043 10.261,1044 1,1045 12.719,1046 2.52,1047 8.085,1048 9.437,1049 3.298,1050 15.29,1051 7.855,1052 11.657,1053 0.956,1054 14.522,1055 2.304,1056 8.904,1057 10.39,1058 1.365,1059 17.406,1060 8.644,1061 13.07,1062 0.162,1063 16.343,1064 2.136,1065 10.167,1066 11.971,1067 3.874,1068 19.885,1069 9.861,1070 3.24,1071 -0.117,1072 18.179,1073 0.434,1074 11.161,1075 13.119,1076 1.834,1077 22.153,1078 10.82,1079 2.974,1080 11.255,1081 20.025,1082 -0.284,1083 12.344,1084 14.595,1085 4.509,1086 24.572,1087 11.961,1088 2.782,1089 9.808,1090 21.879,1091 3.968,1092 13.419,1093 15.846,1094 2.322,1095 26.909,1096 12.997,1097 2.517,1098 9.047,1099 23.74,1100 3.914,1101 14.574,1102 17.27,1103 5.177,1104 29.31,1105 14.111,1106 2.173,1107 8.153,1108 25.607,1109 3.343,1110 15.688,1111 18.575,1112 2.817,1113 31.681,1114 15.184,1115 1.986,1116 5.97,1117 27.478,1118 2.89,1119 16.836,1120 19.973,1121 5.864,1122 34.081,1123 16.29,1124 1.78,1125 5.705,1126 29.353,1127 2.659,1128 17.969,1129 21.307,1130 3.312,1131 36.469,1132 17.382,1133 10408,1134 17721,1135 21.789,1136 35.455,1137 51.202,1138 52.057,1139 51.545,1140 49.801,1141 49.808,1142 61.404,1143 12.185,1144 145.623,1145 47.814,1146 5.536,1147 5.773,1148 6.612,1149 5.298,1150 5.24,1151 6.968,1152 2.873,1153 18.644,1154 5.096,1155 15.658,1156 1.552,1157 1.577,1158 1.562,1159 1.509,1160 1.509,1161 1.861,1162 0.369,1163 4.413,1164 1.449,1165 4.023,1166 4.062,1167 3.98,1168 3.905,1169 7.475,1170 3.916,1171 3.91,1172 3.938,1173 3.864,1174 3.812,1175 7.428,1176 3.821,1177 3.764,1178 3.816,1179 3.664,1180 3.587,1181 6.351,1182 3.599,1183 3.529,1184 3.577,1185 3.437,1186 3.348,1187 4.834,1188 3.362,1189 3.439,1190 3.499,1191 3.304,1192 3.296,1193 4.712,1194 3.289,1195 3.279,1196 3.267,1197 3.224,1198 3.022,1199 4.607,1200 3.065,1201 3.111,1202 3.206,1203 2.934,1204 2.941,1205 4.36,1206 2.91,1207 3.014,1208 3.082,1209 2.866,1210 2.835,1211 4.173,1212 2.834,1213 0.137,1214 0.114,1215 0.206,1216 0.127,1217 0.098,1218 4.536,1219 0.12,1220 3.773,1221 0.044,1222 6.81,1223 0.341,1224 4.195,1225 0.094,1226 3.24,1227 3.968,1228 1.437,1229 11.255,1230 3.096,1231 1.942,1232 1.911,1233 2.042,1234 2.085,1235 1.226,1236 2.07,1237 1.878,1238 1.85,1239 1.98,1240 2.003,1241 1.187,1242 1.997,1243 1.714,1244 1.662,1245 1.913,1246 1.92,1247 1.069,1248 1.92,1249 1.484,1250 1.432,1251 1.742,1252 1.693,1253 0.879,1254 1.705,1255 1.431,1256 1.378,1257 1.617,1258 1.616,1259 0.825,1260 1.629,1261 1.153,1262 1.121,1263 1.513,1264 1.429,1265 0.682,1266 1.429,1267 1.121,1268 1.064,1269 1.336,1270 1.376,1271 0.43,1272 1.36,1273 1.009,1274 0.932,1275 1.253,1276 1.234,1277 0.254,1278 1.273,1279 4.205,1281 5.541,1283 7.081,1285 8.717,1287 10.404,1289 3.851,1294 9.468,1295 2.574,1296 3.276,1297 5.403,1299 -0.271,1300 3.599,1305 34.213,1306 86.617,1307 214.509,1308 269.254,1309 279.254,1310 281.254,1311 281.254,1312 59.804,1313 7.82,1314 96.17,1315 96.17,1316 24,1317 12.731,1318 3.7,1319 3.322,1320 46.725,1321 110,1322 114,1323 0.204,1324 209.044,1325 384.22,1326 501.827,1327 27173,1329 21.25,1330 0.708,1331 0.565,1332 21.25,1333 16.961,1334 14.436,1335 0.437,1336 0.3,1337 9.726,1338 13.768,1339 9.478,1340 7.825,1341 14.436,1342 9.893,1343 13.34,1344 0.284,1345 0.158,1346 13.34,1347 7.435,1348 10.975,1349 0.174,1350 0.083,1351 10.975,1352 5.244,1353 9.498,1354 0.112,1355 0.044,1356 9.498,1357 3.738,1358 8.1,1359 0.072,1360 0.024,1361 8.1,1362 2.655,1363 0.313,1364 91.274,1365 0.214,1366 27.828,1367 0.583,1368 160,1369 498.624,1370 178.902,1371 473.388,1372 640.9,1373 442,1374 190,1375 466.418,1376 208.908,1377 469.056,1378 691.91,1379 441,1380 6.06}
{0 CHEMBL2165192,1 1.532,2 10.346,3 2.749,4 7.555,5 100.644,6 7.301,7 0.379,8 3.979,9 4.103,10 3.537,11 3.499,12 5.034,13 3.485,14 4.53,15 4.706,16 3.893,17 3.891,18 5.583,19 3.854,20 4.789,21 5.001,22 3.912,23 4.035,24 5.746,25 3.964,26 4.793,27 5.033,28 3.825,29 4.008,30 5.755,31 3.898,32 4.786,33 5.04,34 3.748,35 3.927,36 5.699,37 3.816,38 4.715,39 4.968,40 3.663,41 3.77,42 5.72,43 3.697,44 4.556,45 4.796,46 3.65,47 3.669,48 5.662,49 3.609,50 4.472,51 4.71,52 3.473,53 3.629,54 5.5,55 3.552,56 0.02,57 0.727,58 10.129,59 4.186,60 6.922,61 5.648,62 0.293,63 1.173,64 19.537,65 7.153,66 26.219,67 9.693,68 0.374,69 1.415,70 26.865,71 8.942,72 34.486,73 12.565,74 0.39,75 1.435,76 26.986,77 9.343,78 39.737,79 13.787,80 0.244,81 1.362,82 27.417,83 9.259,84 34.534,85 13.756,86 0.382,87 1.238,88 26.493,89 7.239,90 50.695,91 10.724,92 0.445,93 1.065,94 22.244,95 6.495,96 48.369,97 9.604,98 0.295,99 0.967,100 20.364,101 6.285,102 38.93,103 8.887,104 5,105 40,106 0.26,107 0.62,108 0.785,109 0.855,110 0.888,111 0.902,112 3.304,113 0.918,114 -4.68,115 -4.59,116 -4.32,119 41.7,120 1,125 4,127 1,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 1,175 4,178 3,179 1,180 2,183 14,186 1,187 1,192 2,195 12,198 2,199 1,202 3,204 5,207 6,211 1,212 4,217 5,220 3,224 5,229 4,232 1,236 1,237 8,240 2,242 5,245 2,250 7,255 1,258 3,263 7,271 4,275 984,276 17.809,277 17.809,278 17.809,279 17.809,280 17.809,281 15.977,282 20.353,283 10.642,284 18.219,285 14.369,286 14.369,287 14.369,288 14.369,289 14.369,290 11.516,291 27.02,292 5.094,293 15.025,294 4.053,295 1.931,296 0.957,297 0.547,298 0.349,299 0.266,300 4.006,303 1,304 1,305 1,306 592,307 2.449,311 291.831,315 112.374,318 1.5,319 20.741,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 269,332 4.494,333 3.566,334 6.506,335 4.031,336 3.035,337 4.43,338 1.321,339 10.197,340 3.027,341 4.258,342 3.172,343 6.219,344 3.891,345 2.958,346 3.628,347 0.986,348 9.392,349 2.761,350 3.691,351 3.123,352 5.474,353 3.476,354 2.546,355 2.922,356 0.86,357 7.324,358 2.367,359 3.52,360 2.863,361 5.199,362 3.149,363 2.182,364 2.753,365 0.845,366 6.264,367 2.128,368 3.394,369 2.583,370 4.996,371 3.025,372 2.08,373 2.562,374 0.56,375 5.896,376 1.938,377 3.234,378 2.258,379 4.773,380 2.911,381 1.928,382 2.427,383 0.175,384 5.342,385 1.87,386 3.118,387 1.636,388 4.171,389 2.618,390 1.618,391 2.259,393 3.801,394 1.618,395 2.77,396 1.618,397 4.143,398 2.3,399 1.354,400 1.904,402 3.583,403 1.28,404 2.513,405 1.516,406 3.599,407 2.273,408 1.275,409 1.467,411 2.849,412 1.267,413 2.407,414 1.301,415 3.471,416 2.006,417 1.07,418 1.363,420 2.504,421 1.001,422 2.129,423 1.183,424 3.407,425 1.943,426 1,427 1.102,428 2.328,429 0.932,430 1.819,431 0.746,432 3.091,433 1.478,434 0.527,435 0.646,436 1.253,437 0.5,438 1.223,439 0.689,440 2.655,441 0.703,442 -0.277,443 -0.342,445 -0.722,446 -0.27,447 1.031,448 -0.047,449 2.521,450 0.619,451 -0.371,452 -0.391,454 -0.864,455 -0.344,456 0.882,457 -0.068,458 2.306,459 0.529,460 -0.418,461 -0.536,463 -1.025,464 -0.407,465 12.267,466 0.472,467 0.571,468 0.022,469 32,470 1.231,471 14.5,472 0.558,473 17.5,474 0.673,475 20.974,476 0.807,477 27.933,478 0.582,479 23.294,480 0.896,481 6.542,482 0.252,483 6.144,484 0.236,485 0.068,487 0.318,493 0.842,494 1.39,495 0.796,496 1.113,497 0.633,498 0.966,499 0.981,500 0.97,501 0.926,502 0.968,503 0.611,504 0.945,505 1.3,506 1.053,507 1.084,508 0.937,509 1.032,510 0.974,511 0.574,512 1.038,513 1.012,514 1.073,515 0.605,516 1.094,517 0.747,518 1.181,519 0.936,520 1.098,521 0.831,522 1.049,523 1.583,524 1,525 1.123,526 0.855,527 1.88,528 0.895,529 1.109,530 0.99,531 0.934,532 0.854,533 1.364,534 0.855,535 1.518,536 0.812,537 1.098,538 0.8,539 1.733,540 0.864,541 5,542 0.083,543 2.444,544 1.5,545 1.391,546 0.576,547 0.37,548 0.299,549 0.226,550 0.144,551 8471,552 20519,553 2.148,554 45.8,556 17,559 2,561 3,564 1.69,565 2.053,566 3.361,567 0.251,568 1,569 1,573 73.532,574 1.532,575 3.654,576 4.628,577 5.038,578 5.236,579 5.319,580 2.735,581 4.287,582 4.677,583 3.519,584 1143.82,585 8.098,586 14405.8,588 1,590 1,591 268.078,592 1.239,593 4.65,594 0.172,595 0.004,596 0.061,597 0.038,598 0.04,599 0.018,600 0.013,601 0.01,602 0.009,603 0.006,604 0.371,605 0.17,606 1,607 0.465,608 127.471,609 -0.046,610 -0.189,611 0.061,612 -0.06,613 -0.053,614 0.006,615 0.089,616 0.154,617 0.009,618 0.022,619 0.093,620 -0.001,621 -0.166,622 -0.017,623 -0.11,624 0.035,625 -0.128,626 -0.023,627 0.168,628 0.001,629 -0.063,630 -0.105,631 0.105,632 -0.119,633 0.055,634 -0.206,635 0.036,636 -0.129,637 0.009,638 -0.062,639 -0.254,640 0.002,641 -0.081,642 0.037,643 -0.256,644 0.015,645 0.164,646 0.014,647 0.093,648 0.063,649 0.146,650 0.072,651 -0.257,652 0.18,653 -0.082,654 0.142,655 -0.154,656 0.077,657 1.824,658 5.066,659 0.846,660 20.935,661 1,662 1.128,663 3.447,664 11.883,665 0.662,666 3.401,667 3.714,668 3.97,669 4.248,670 4.477,671 4.454,672 4.564,673 4.625,674 4.771,675 4.718,676 6.305,677 0.63,678 350.46,679 3.401,680 4.934,681 5.778,682 6.65,683 7.507,684 8.382,685 9.244,686 10.119,687 10.984,688 11.858,689 8.3,691 1,692 1,696 1,698 1,703 2,704 7,709 1,711 11,731 48,733 14,734 2,735 29,737 51,738 20,739 10,740 3,741 7,742 4,746 4,747 5,750 1,752 1,755 1,758 1,761 14,762 6,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 22,782 6,783 2,784 6,790 4,794 0.75,795 2,812 4,816 1,826 1,831 1,835 1,836 1,839 1,840 3,844 1,848 26,854 4,855 2,856 1,858 1,859 1,870 4.2,873 1,874 1,877 12.667,878 8.733,879 5.667,880 2.899,881 2.961,882 1.394,883 1.005,884 4.912,885 10.468,886 3.651,887 4.212,888 4.766,889 5.336,890 5.855,891 6.038,892 6.354,893 6.665,894 7.049,895 6.941,896 0.857,897 40,898 9.622,900 4.087,901 7.647,902 18.605,904 15.38,905 2.147,906 55.833,909 1,910 235.422,911 112.808,912 55.931,914 36.145,917 112.808,918 271.567,919 55.931,920 8.825,921 28.92,922 93.821,923 40.849,924 30.569,925 1.899,926 235.422,928 235.422,929 168.739,930 36.145,933 200.109,934 60.458,935 11,937 75.666,938 83.597,939 9.476,941 235.422,942 92.076,943 112.808,946 235.422,947 28.173,948 87.759,949 36.022,950 52.93,951 235.422,952 92.076,953 112.808,955 0.577,956 0.333,957 0.189,958 0.106,959 20,960 8,961 0.078,962 4,963 1,964 1.091,965 3.873,966 219.559,967 0.091,968 22,969 120.211,974 17.07,975 7.481,976 3.921,977 2.396,978 92.076,979 14.492,984 1.163,986 36.022,987 440.306,988 37.5,993 12.066,995 1.543,996 4.591,997 1.012,999 48.014,1000 54.149,1001 0.274,1002 0.654,1003 0.829,1004 0.902,1005 0.938,1006 0.952,1007 4.888,1008 1.354,1009 5.746,1010 3.801,1011 4.394,1012 4.898,1013 2.235,1014 6.526,1015 4.313,1016 6.073,1017 1.275,1018 7.279,1019 3.583,1020 3.892,1021 4.635,1022 0.81,1023 7.334,1024 3.782,1025 7.368,1026 1.07,1027 8.909,1028 2.849,1029 5.953,1030 7.055,1031 2.244,1032 10.435,1033 5.795,1034 8.694,1035 1,1036 10.598,1037 2.504,1038 6.256,1039 7.648,1040 1.296,1041 12.089,1042 6.075,1043 10.054,1044 0.527,1045 12.326,1046 2.328,1047 7.779,1048 9.548,1049 2.43,1050 14.687,1051 7.558,1052 11.438,1053 -0.277,1054 14.081,1055 1.253,1056 8.483,1057 10.588,1058 1.822,1059 16.707,1060 8.247,1061 12.841,1062 -0.371,1063 15.857,1064 -0.722,1065 9.766,1066 12.254,1067 2.731,1068 19.12,1069 9.498,1070 3.035,1071 -0.418,1072 17.649,1073 -0.864,1074 10.671,1075 13.522,1076 2.383,1077 21.3,1078 10.393,1079 2.958,1080 10.197,1081 19.453,1082 -1.025,1083 11.846,1084 15.083,1085 3.117,1086 23.643,1087 11.544,1088 2.546,1089 9.392,1090 21.268,1091 4.43,1092 12.85,1093 16.464,1094 2.959,1095 25.891,1096 12.539,1097 2.182,1098 7.324,1099 23.09,1100 3.628,1101 13.978,1102 17.979,1103 3.561,1104 28.209,1105 13.65,1106 2.08,1107 6.264,1108 24.918,1109 2.922,1110 15.03,1111 19.414,1112 3.538,1113 30.488,1114 14.695,1115 1.928,1116 5.896,1117 26.753,1118 2.753,1119 16.139,1120 20.91,1121 4.046,1122 32.797,1123 15.791,1124 1.618,1125 5.342,1126 28.591,1127 2.562,1128 17.214,1129 22.371,1130 4.115,1131 35.09,1132 16.859,1133 7931,1134 12466,1135 19.879,1136 31.784,1137 43.658,1138 44.529,1139 43.889,1140 43.117,1141 43.146,1142 54.924,1143 9.494,1144 121.465,1145 41.381,1146 5.494,1147 5.566,1148 6.195,1149 5.136,1150 5.035,1151 7.43,1152 2.44,1153 16.978,1154 5.027,1155 9.271,1156 1.505,1157 1.535,1158 1.513,1159 1.487,1160 1.488,1161 1.894,1162 0.327,1163 4.188,1164 1.427,1165 4.094,1166 4.117,1167 4.046,1168 4.053,1169 7.43,1170 4.049,1171 3.902,1172 3.953,1173 3.847,1174 3.703,1175 4.909,1176 3.731,1177 3.692,1178 3.746,1179 3.595,1180 3.479,1181 4.783,1182 3.498,1183 3.5,1184 3.547,1185 3.398,1186 3.407,1187 4.608,1188 3.4,1189 3.304,1190 3.38,1191 3.183,1192 3.144,1193 4.339,1194 3.142,1195 3.26,1196 3.338,1197 3.057,1198 3.088,1199 4.072,1200 3.067,1201 2.996,1202 3.073,1203 2.906,1204 2.829,1205 3.841,1206 2.84,1207 2.974,1208 3.022,1209 2.866,1210 2.684,1211 3.771,1212 2.714,1213 0.155,1214 0.123,1215 0.224,1216 0.139,1217 0.105,1218 4.494,1219 0.153,1220 3.566,1221 0.046,1222 6.506,1223 0.352,1224 4.031,1225 0.104,1226 3.035,1227 4.43,1228 1.321,1229 10.197,1230 3.027,1231 2.081,1232 2.062,1233 2.165,1234 2.137,1235 1.324,1236 2.147,1237 1.803,1238 1.753,1239 1.97,1240 2.028,1241 1.24,1242 2.009,1243 1.613,1244 1.563,1245 1.768,1246 1.858,1247 0.907,1248 1.834,1249 1.506,1250 1.465,1251 1.687,1252 1.64,1253 0.853,1254 1.658,1255 1.306,1256 1.227,1257 1.624,1258 1.526,1259 0.714,1260 1.567,1261 1.261,1262 1.195,1263 1.499,1264 1.467,1265 0.606,1266 1.482,1267 0.968,1268 0.903,1269 1.305,1270 1.236,1271 0.469,1272 1.254,1273 0.903,1274 0.818,1275 1.186,1276 1.134,1277 0.26,1278 1.15,1279 4.078,1281 5.389,1283 6.903,1285 8.51,1287 10.163,1289 2.027,1295 2.713,1296 6.041,1297 5.565,1299 0.136,1300 2.09,1305 30.256,1306 73.532,1307 175.407,1308 222.162,1309 241.814,1310 251.323,1311 255.323,1312 35.658,1313 7.507,1314 70.25,1315 70.25,1316 24,1317 12.4,1318 3.907,1319 3.248,1320 38.068,1321 99,1322 82,1323 0.186,1324 184.794,1325 323.78,1326 442.658,1327 19977,1329 17.933,1330 0.69,1331 0.567,1332 17.933,1333 14.736,1334 12.687,1335 0.437,1336 0.306,1337 8.743,1338 12.188,1339 8.55,1340 7.052,1341 12.687,1342 8.873,1343 11.447,1344 0.286,1345 0.164,1346 11.447,1347 6.571,1348 9.389,1349 0.181,1350 0.089,1351 9.389,1352 4.619,1353 8.212,1354 0.119,1355 0.048,1356 8.212,1357 3.343,1358 6.771,1359 0.078,1360 0.026,1361 6.771,1362 2.277,1363 0.292,1364 79.451,1365 0.224,1366 25.13,1367 0.507,1368 138,1369 383.427,1370 152.222,1371 368.645,1372 509.77,1373 348,1374 161,1375 377.759,1376 174.588,1377 380.757,1378 558.01,1379 360,1380 5.658}
{0 CHEMBL2165193,1 1.555,2 10.8,3 2.4,4 5.759,5 95.896,6 7.476,7 0.393,8 3.923,9 4.045,10 3.503,11 3.444,12 5.006,13 3.437,14 4.442,15 4.616,16 3.812,17 3.806,18 5.515,19 3.773,20 4.634,21 4.833,22 3.827,23 3.926,24 5.632,25 3.862,26 4.665,27 4.895,28 3.741,29 3.893,30 5.669,31 3.791,32 4.676,33 4.938,34 3.649,35 3.789,36 5.591,37 3.688,38 4.533,39 4.77,40 3.547,41 3.626,42 5.575,43 3.567,44 4.413,45 4.65,46 3.559,47 3.583,48 5.501,49 3.522,50 4.356,51 4.582,52 3.496,53 3.564,54 5.421,55 3.505,56 0.029,57 0.688,58 9.176,59 3.851,60 6.769,61 5.094,62 0.319,63 1.075,64 17.536,65 6.435,66 25.057,67 8.527,68 0.302,69 1.244,70 22.069,71 7.744,72 28.123,73 10.69,74 0.358,75 1.278,76 23.169,77 8.219,78 36.366,79 11.94,80 0.278,81 1.213,82 24.897,83 8.071,84 32.45,85 12.002,86 0.352,87 1.054,88 21.599,89 5.974,90 44.766,91 8.532,92 0.4,93 0.947,94 18.856,95 5.815,96 38.753,97 8.519,98 0.199,99 0.885,100 17.485,101 5.872,102 26.962,103 8.175,104 6,105 39,106 0.267,107 0.627,108 0.768,109 0.828,110 0.864,111 0.88,112 3.267,113 0.892,114 -4.45,115 -4.38,116 -4.13,119 42.2,124 1,125 3,127 1,135 1,139 1,142 7,143 3,158 1,159 1,172 11,174 1,175 3,178 3,179 1,180 2,183 14,186 1,192 2,195 12,198 2,199 1,202 3,204 5,207 6,211 1,212 3,217 5,220 2,224 5,229 4,232 1,236 1,237 7,240 2,242 3,245 2,250 7,255 1,258 3,263 7,271 3,275 901,276 17.265,277 17.265,278 17.265,279 17.265,280 17.265,281 15.433,282 19.274,283 10.213,284 17.688,285 13.813,286 13.813,287 13.813,288 13.813,289 13.813,290 10.961,291 25.69,292 4.813,293 14.417,294 3.937,295 1.842,296 1.02,297 0.673,298 0.461,299 0.372,300 3.965,303 1,304 1,305 1,306 596,307 2.646,309 56.4,311 208.663,315 109.575,318 1.664,319 19.46,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 270,332 4.494,333 3.572,334 6.506,335 4.032,336 3.043,337 4.43,338 1.321,339 10.197,340 3.027,341 4.278,342 3.251,343 6.287,344 3.957,345 3.017,346 3.636,347 0.986,348 9.65,349 2.817,350 3.786,351 3.127,352 5.561,353 3.561,354 2.62,355 2.931,356 0.86,357 7.635,358 2.464,359 3.529,360 2.878,361 5.216,362 3.147,363 2.167,364 2.837,365 0.845,366 6.338,367 2.129,368 3.396,369 2.488,370 5.104,371 2.934,372 2.003,373 2.572,374 0.56,375 6.037,376 1.877,377 3.21,378 2.251,379 4.769,380 2.911,381 1.924,382 2.427,383 0.175,384 5.319,385 1.849,386 3.118,387 1.618,388 4.165,389 2.618,390 1.618,391 2.246,393 3.799,394 1.618,395 2.77,396 1.587,397 3.969,398 2.275,399 1.276,400 1.903,402 2.914,403 1.275,404 2.412,405 1.303,406 3.599,407 2.017,408 1.094,409 1.374,411 2.84,412 1.009,413 2.245,414 1.188,415 3.407,416 1.948,417 1,418 1.171,420 2.326,421 0.939,422 1.819,423 0.752,424 3.09,425 1.479,426 0.528,427 0.646,428 1.253,429 0.501,430 1.237,431 0.734,432 3,433 1.048,434 0.177,435 0.18,436 0.258,437 0.153,438 1.2,439 0.652,440 2.678,441 0.951,447 1.031,448 0.22,449 2.524,450 0.702,451 -0.278,452 -0.346,454 -0.723,455 -0.271,456 1,457 -0.047,458 2.308,459 0.614,460 -0.413,461 -0.605,463 -1.032,464 -0.414,465 11.767,466 0.471,467 0.533,468 0.021,469 31.5,470 1.26,471 14.5,472 0.58,473 17,474 0.68,475 18.449,476 0.738,477 26.633,478 0.592,479 22.655,480 0.906,481 6.59,482 0.264,483 5.635,484 0.225,485 0.071,487 0.331,493 0.845,494 1.383,495 0.772,496 1.095,497 0.614,498 0.942,499 1.027,500 0.882,501 0.946,502 0.901,503 0.653,504 0.912,505 1.118,506 1.106,507 1.053,508 0.996,509 1.042,510 1.011,511 0.54,512 1.096,513 1.02,514 1.136,515 0.634,516 1.146,517 0.79,518 1.101,519 0.893,520 1.005,521 0.832,522 0.963,523 1.643,524 1.033,525 1.179,526 0.877,527 1.912,528 0.929,529 0.846,530 0.928,531 0.872,532 0.829,533 0.926,534 0.836,535 1.187,536 0.984,537 0.913,538 0.912,539 1.228,540 0.872,541 5,542 0.078,543 2.222,544 1.688,545 1.502,546 0.521,547 0.387,548 0.318,549 0.234,550 0.141,551 7800,552 19488,553 2.154,554 44.4,556 18,559 2,564 1.679,565 2.055,566 3.392,567 0.273,568 1,569 1,571 1,573 69.984,574 1.555,575 3.65,576 4.471,577 4.819,578 5.031,579 5.12,580 2.903,581 4.484,582 4.617,583 3.544,584 1063.14,585 7.976,586 13064.8,588 1,590 1,591 247.133,592 1.26,593 4.592,594 0.179,595 0.005,596 0.06,597 0.046,598 0.047,599 0.018,600 0.015,601 0.012,602 0.009,603 0.007,604 0.397,605 0.17,606 1,607 0.663,608 121.428,609 -0.056,610 -0.196,611 0.06,612 -0.063,613 -0.043,614 0.006,615 0.051,616 0.231,617 -0.022,618 0.077,619 0.061,620 0.017,621 -0.122,622 -0.059,623 -0.111,624 -0.014,625 -0.128,626 -0.057,627 0.197,628 -0.06,629 -0.081,630 -0.166,631 0.098,632 -0.172,633 0.052,634 -0.142,635 0.102,636 -0.05,637 0.023,638 0.023,639 -0.304,640 -0.017,641 -0.147,642 0.019,643 -0.286,644 -0.025,645 0.231,646 0.082,647 0.13,648 0.107,649 0.176,650 0.111,651 -0.109,652 -0.002,653 0.074,654 0.06,655 0.036,656 0.096,657 1.828,658 4.937,659 0.8,660 20.762,661 1.003,662 1.127,663 3.22,664 10.366,665 0.667,666 3.367,667 3.689,668 3.97,669 4.205,670 4.431,671 4.419,672 4.543,673 4.595,674 4.71,675 4.663,676 6.314,677 0.638,678 336.43,679 3.367,680 4.905,681 5.759,682 6.64,683 7.508,684 8.392,685 9.265,686 10.15,687 11.025,688 11.908,689 8.9,691 1,692 1,696 1,698 1,703 2,704 7,709 1,711 11,731 45,732 1,733 14,734 2,735 28,737 48,738 19,739 10,740 3,741 7,742 4,746 4,747 5,750 1,755 1,758 1,761 14,762 5,766 3,771 1,773 1,774 1,775 3,777 1,778 1,781 20,782 6,783 2,784 6,790 4,794 0.75,795 2,810 1,812 3,816 1,826 1,831 1,835 1,836 1,839 1,840 3,844 1,848 25,854 3,855 2,856 1,858 1,859 1,870 4.4,873 1,874 1,877 12.167,878 8.233,879 5.5,880 2.565,881 2.972,882 1.401,883 1.012,884 4.427,885 10.376,886 3.624,887 4.197,888 4.766,889 5.321,890 5.846,891 6.035,892 6.356,893 6.657,894 7.035,895 6.931,896 1,897 37,898 9.233,900 3.935,901 7.673,902 17.789,904 14.75,905 2.173,906 54.333,909 1,910 211.88,911 110.273,912 55.931,914 36.145,917 110.273,918 248.025,919 55.931,920 10.883,921 24.328,922 93.821,923 40.849,924 30.569,925 1.899,926 211.88,928 211.88,929 166.205,930 36.145,933 211.88,934 25.145,935 11,937 62.248,938 94.48,939 9.476,941 211.88,942 92.076,943 110.273,946 211.88,947 23.58,948 89.817,949 36.022,950 52.93,951 211.88,952 92.076,953 110.273,955 0.576,956 0.341,957 0.186,958 0.104,959 20,960 8,961 0.104,962 5,963 1,964 1.1,965 3.85,966 206.339,967 0.1,968 20,969 110.096,974 16.124,975 6.865,976 3.386,977 2.393,978 92.076,979 14.465,984 1.162,986 36.022,987 414.229,988 36.5,993 11.937,995 1.523,996 4.523,997 1,999 45.131,1000 50.734,1001 0.283,1002 0.665,1003 0.814,1004 0.878,1005 0.916,1006 0.932,1007 4.866,1008 1.276,1009 5.733,1010 3.799,1011 4.369,1012 4.883,1013 2.235,1014 6.532,1015 4.291,1016 6.057,1017 1.094,1018 7.277,1019 2.914,1020 3.892,1021 4.635,1022 0.81,1023 7.368,1024 3.782,1025 7.363,1026 1,1027 8.919,1028 2.84,1029 5.969,1030 7.06,1031 2.244,1032 10.489,1033 5.815,1034 8.7,1035 0.528,1036 10.618,1037 2.326,1038 6.312,1039 7.663,1040 1.296,1041 12.161,1042 6.122,1043 10.069,1044 0.177,1045 12.356,1046 1.253,1047 7.83,1048 9.557,1049 2.43,1050 14.765,1051 7.608,1052 11.46,1054 14.119,1055 0.258,1056 8.569,1057 10.599,1058 1.822,1059 16.795,1060 8.314,1061 12.869,1062 -0.278,1063 15.902,1065 9.848,1066 12.262,1067 2.731,1068 19.212,1069 9.566,1070 3.043,1071 -0.413,1072 17.7,1073 -0.723,1074 10.78,1075 13.53,1076 2.383,1077 21.397,1078 10.47,1079 3.017,1080 10.197,1081 19.509,1082 -1.032,1083 11.956,1084 15.089,1085 3.117,1086 23.743,1087 11.621,1088 2.62,1089 9.65,1090 21.327,1091 4.43,1092 12.979,1093 16.469,1094 2.959,1095 25.995,1096 12.621,1097 2.167,1098 7.635,1099 23.152,1100 3.636,1101 14.112,1102 17.983,1103 3.561,1104 28.314,1105 13.731,1106 2.003,1107 6.338,1108 24.983,1109 2.931,1110 15.178,1111 19.417,1112 3.538,1113 30.596,1114 14.776,1115 1.924,1116 6.037,1117 26.819,1118 2.837,1119 16.293,1120 20.913,1121 4.046,1122 32.906,1123 15.872,1124 1.618,1125 5.319,1126 28.66,1127 2.572,1128 17.379,1129 22.373,1130 4.115,1131 35.201,1132 16.94,1133 7314,1134 11677,1135 19.186,1136 30.023,1137 41.432,1138 42.54,1139 42.489,1140 40.796,1141 40.935,1142 52.709,1143 9.494,1144 117.131,1145 39.314,1146 5.494,1147 5.572,1148 6.195,1149 5.105,1150 5.043,1151 7.43,1152 2.44,1153 16.978,1154 5.027,1155 9.268,1156 1.48,1157 1.519,1158 1.517,1159 1.457,1160 1.462,1161 1.882,1162 0.339,1163 4.183,1164 1.404,1165 4.094,1166 4.118,1167 4.046,1168 4.053,1169 7.43,1170 4.049,1171 3.929,1172 3.98,1173 3.872,1174 3.737,1175 4.909,1176 3.763,1177 3.688,1178 3.744,1179 3.606,1180 3.477,1181 4.79,1182 3.499,1183 3.498,1184 3.543,1185 3.396,1186 3.403,1187 4.635,1188 3.398,1189 3.293,1190 3.357,1191 3.179,1192 3.136,1193 4.34,1194 3.135,1195 3.18,1196 3.263,1197 2.977,1198 2.884,1199 4.134,1200 2.885,1201 2.981,1202 3.031,1203 2.904,1204 2.819,1205 3.922,1206 2.829,1207 2.791,1208 2.847,1209 2.686,1210 2.577,1211 3.712,1212 2.565,1213 0.16,1214 0.128,1215 0.232,1216 0.144,1217 0.109,1218 4.494,1219 0.158,1220 3.572,1221 0.047,1222 6.506,1223 0.364,1224 4.032,1225 0.108,1226 3.043,1227 4.43,1228 1.321,1229 10.197,1230 3.027,1231 2.081,1232 2.062,1233 2.166,1234 2.137,1235 1.325,1236 2.148,1237 1.839,1238 1.788,1239 1.989,1240 2.055,1241 1.317,1242 2.036,1243 1.603,1244 1.552,1245 1.751,1246 1.848,1247 0.854,1248 1.821,1249 1.501,1250 1.462,1251 1.669,1252 1.636,1253 0.698,1254 1.653,1255 1.27,1256 1.211,1257 1.548,1258 1.489,1259 0.601,1260 1.509,1261 1.142,1262 1.05,1263 1.49,1264 1.449,1265 0.561,1266 1.467,1267 0.952,1268 0.894,1269 1.187,1270 1.136,1271 0.325,1272 1.153,1273 0.708,1274 0.645,1275 1.079,1276 0.985,1277 0.26,1278 0.986,1279 4.043,1281 5.398,1283 6.948,1285 8.585,1287 10.264,1289 1.699,1295 2.111,1296 5.997,1297 5.274,1299 0.216,1300 2.034,1305 28.73,1306 69.984,1307 164.263,1308 201.217,1309 216.869,1310 226.379,1311 230.379,1312 33.134,1313 7.404,1314 70.25,1315 70.25,1316 22,1317 12.443,1318 3.907,1319 3.248,1320 36.002,1321 95,1322 103,1323 0.184,1324 175.202,1325 306.48,1326 419.252,1327 17274,1329 17.225,1330 0.689,1331 0.561,1332 17.225,1333 14.028,1334 12.225,1335 0.437,1336 0.297,1337 8.185,1338 11.717,1339 8.001,1340 6.612,1341 12.225,1342 8.324,1343 10.921,1344 0.28,1345 0.159,1346 10.921,1347 6.207,1348 9.262,1349 0.178,1350 0.088,1351 9.262,1352 4.56,1353 7.642,1354 0.116,1355 0.045,1356 7.642,1357 2.961,1358 6.351,1359 0.077,1360 0.025,1361 6.351,1362 2.056,1363 0.29,1364 76.886,1365 0.228,1366 24.42,1367 0.497,1368 134,1369 379.427,1370 147.558,1371 364.943,1372 502.85,1373 344,1374 158,1375 369.85,1376 171.422,1377 375.951,1378 549.73,1379 353,1380 4.083}
{0 CHEMBL2165268,1 1.497,2 8.167,3 2.528,4 6.39,5 89.317,6 8.138,7 0.815,8 3.802,9 3.938,10 3.449,11 3.342,12 5.004,13 3.352,14 4.254,15 4.421,16 3.814,17 3.705,18 5.465,19 3.696,20 4.426,21 4.63,22 3.8,23 3.768,24 5.521,25 3.746,26 4.423,27 4.624,28 3.777,29 3.753,30 5.562,31 3.712,32 4.465,33 4.692,34 3.681,35 3.742,36 5.534,37 3.69,38 4.429,39 4.655,40 3.73,41 3.736,42 5.543,43 3.683,44 4.425,45 4.656,46 3.565,47 3.687,48 5.491,49 3.618,50 4.322,51 4.582,52 3.322,53 3.505,54 5.309,55 3.394,56 0.057,57 0.674,58 6.769,59 2.724,60 8.451,61 3.467,62 0.2,63 1.027,64 11.794,65 4.793,66 20.361,67 6.332,68 0.203,69 1.149,70 15.594,71 5.038,72 21.446,73 6.844,74 0.267,75 1.143,76 15.298,77 5.605,78 23.569,79 7.593,80 0.248,81 1.137,82 17.299,83 5.432,84 28.257,85 7.503,86 0.259,87 1.101,88 16.83,89 6.131,90 28.41,91 8.572,92 0.242,93 1.071,94 16.753,95 5.368,96 28.548,97 7.413,98 0.211,99 0.904,100 16.473,101 5.757,102 24.841,103 8.28,104 5,105 38,106 0.261,107 0.653,108 0.814,109 0.884,110 0.893,111 0.893,112 3.229,113 0.83,114 -4.56,115 -4.48,116 -4.22,119 43.6,120 1,142 6,143 2,144 1,145 1,147 1,149 2,150 1,151 1,152 1,163 1,164 1,165 1,172 5,174 3,175 6,177 2,178 3,180 6,183 4,187 3,192 4,195 3,198 2,199 6,201 1,202 3,203 1,204 5,207 4,209 2,212 3,217 1,220 5,222 1,223 1,224 7,226 1,227 3,228 1,229 3,231 1,232 6,234 1,237 4,242 1,245 3,250 4,253 2,255 3,258 3,260 2,263 2,268 2,271 2,273 2,275 790,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 15.074,283 9.754,284 16.859,285 13.38,286 13.38,287 13.38,288 13.38,289 13.38,290 9.487,291 23.388,292 4.65,293 14.06,294 3.788,295 1.545,296 0.622,297 0.224,298 0.173,299 0.173,300 3.929,303 1,304 1,305 1,306 432,307 2.236,310 45.907,311 194.831,314 85.626,318 1.264,319 16.832,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 196,332 4.529,333 3.181,334 6.574,335 4.077,336 3.11,337 4.462,338 0.4,339 10.468,340 3.014,341 4.396,342 3.014,343 6.464,344 3.955,345 2.988,346 4.094,348 10.06,349 2.886,350 3.973,351 2.691,352 5.547,353 3.493,354 2.57,355 3.562,357 7.447,358 2.366,359 3.488,360 2.218,361 5.215,362 3.059,363 2.109,364 2.866,366 6.328,367 2.001,368 3.232,369 2.084,370 4.883,371 2.797,372 1.879,373 2.512,375 5.309,376 1.725,377 3.229,378 1.866,379 4.618,380 2.75,381 1.818,382 2.481,384 4.963,385 1.688,386 3.048,387 1.548,388 4.135,389 2.544,390 1.548,391 2.321,393 3.681,394 1.542,395 2.875,396 1.469,397 3.943,398 2.404,399 1.427,400 2.037,402 3.25,403 1.391,404 2.55,405 1.068,406 3.595,407 1.999,408 1.058,409 1.575,411 2.697,412 0.993,413 2.5,414 1,415 3.412,416 1.971,417 1,418 1.5,420 2.234,421 0.969,422 2.094,423 0.727,424 3.244,425 1.612,426 0.662,427 0.927,428 1.678,429 0.627,430 1.381,431 0.139,432 2.802,433 0.995,434 0.044,435 0.058,436 0.113,437 0.042,438 1,439 -0.126,440 2.596,441 0.574,442 -0.347,443 -0.445,445 -0.891,446 -0.317,447 0.991,448 -0.259,449 2.382,450 0.545,451 -0.395,452 -0.52,454 -1.032,455 -0.37,456 0.798,457 -0.406,458 2.305,459 0.382,460 -0.561,461 -0.697,463 -1.333,464 -0.531,465 11.3,466 0.471,467 0.554,468 0.023,469 37.75,470 1.573,471 21,472 0.875,473 16.75,474 0.698,475 14.549,476 0.606,477 24.1,478 0.618,479 25.763,480 1.073,481 7.511,482 0.313,483 4.193,484 0.175,485 0.08,487 0.354,493 1.11,494 1.297,495 0.74,496 0.918,497 1.165,498 0.795,499 0.596,500 1.026,501 0.714,502 0.973,503 0.493,504 0.884,505 1.352,506 1.167,507 0.996,508 0.931,509 1.097,510 0.909,511 0.828,512 1.042,513 0.995,514 1.107,515 0.709,516 1.084,517 1.385,518 1.038,519 1.132,520 0.947,521 1.335,522 0.988,523 0.672,524 0.904,525 0.819,526 0.946,527 0.715,528 0.914,529 1.364,530 1.006,531 1.217,532 1.009,533 1.315,534 1.073,535 0.794,536 0.977,537 1.035,538 1.115,539 0.896,540 1.115,541 4.5,542 0.069,543 2.444,544 1.625,545 1.049,546 0.712,547 0.387,548 0.28,549 0.175,550 0.135,551 6244,552 16884,553 2.161,554 38.5,556 6,557 1,558 1,559 4,560 3,564 1.674,565 2.057,566 3.065,567 1.819,568 1,569 1,571 1,573 58.389,574 1.497,575 3.74,576 4.663,577 5.061,578 5.112,579 5.112,580 2.44,581 4.168,582 4.562,583 3.228,584 890.924,585 7.895,586 10318.2,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.008,596 0.064,597 0.044,598 0.03,599 0.022,600 0.011,601 0.01,602 0.008,603 0.009,604 0.374,605 0.17,606 1,607 0.49,608 112.189,609 -0.192,610 -0.15,611 0.025,612 0.019,613 -0.283,614 0.051,615 0.349,616 0.068,617 0.122,618 -0.024,619 0.322,620 0.004,621 -0.285,622 -0.112,623 -0.085,624 -0.005,625 -0.207,626 -0.01,627 0.182,628 0.001,629 -0.089,630 -0.164,631 0.162,632 -0.17,633 -0.325,634 -0.027,635 -0.175,636 -0.006,637 -0.292,638 -0.054,639 0.246,640 0.07,641 0.144,642 0.045,643 0.248,644 0.071,645 -0.338,646 -0.011,647 -0.254,648 -0.056,649 -0.306,650 -0.125,651 0.079,652 -0.085,653 -0.002,654 -0.095,655 0.036,656 -0.069,657 1.472,658 1.753,659 0.875,660 16.34,661 1.006,662 1.132,663 3.327,664 11.069,665 0.695,666 3.332,667 3.664,668 3.951,669 4.263,670 4.443,671 4.511,672 4.595,673 4.727,674 4.718,675 4.771,676 5.359,677 0.673,678 317.39,679 3.332,680 4.875,681 5.733,682 6.621,683 7.494,684 8.386,685 9.264,686 10.157,687 11.037,688 11.931,689 17.9,693 1,697 2,699 4,702 1,703 2,704 8,705 4,706 1,709 6,711 22,722 1,724 1,731 39,733 22,734 1,735 27,737 42,738 17,739 16,740 3,741 3,746 4,747 5,752 1,761 16,762 1,777 1,778 1,781 15,782 6,783 4,784 7,790 7,794 0.75,805 1,807 1,811 1,812 3,815 1,840 3,844 1,848 24,849 1,855 1,877 11.667,878 7.3,879 5.194,880 2.16,881 4.445,882 1.602,883 1.056,884 3.596,885 11.829,886 3.664,887 4.334,888 4.974,889 5.618,890 6.129,891 6.416,892 6.81,893 7.254,894 7.461,895 7.826,896 1,897 37,898 8.77,900 3.716,901 7.681,902 16.635,904 13.482,905 2.181,906 52.333,910 129.482,911 103.32,912 134.836,917 103.32,918 129.482,919 134.836,920 8.825,922 98.802,923 78.913,924 57.015,925 18.142,926 105.94,928 129.482,929 238.155,933 134.138,937 54.568,938 111.789,939 67.142,941 129.482,942 134.836,943 103.32,946 129.482,947 19.542,948 83.778,949 34.796,950 100.039,951 129.482,952 134.836,953 103.32,955 0.581,956 0.34,957 0.2,958 0.103,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.613,966 204.217,967 0.095,968 21,969 110.039,974 14.608,975 5.909,976 2.829,977 2.137,978 118.05,979 15.4,980 17.055,981 3.197,984 3.641,986 67.693,987 367.638,988 38,999 39.247,1000 44.149,1001 0.283,1002 0.708,1003 0.882,1004 0.958,1005 0.967,1006 0.967,1007 4.879,1008 1.427,1009 5.714,1010 3.681,1011 4.344,1012 5.021,1013 0.278,1014 6.529,1015 4.249,1016 6.108,1017 1.058,1018 7.268,1019 3.25,1020 3.892,1021 4.808,1023 7.413,1024 3.755,1025 7.422,1026 1,1027 8.922,1028 2.697,1029 5.932,1030 7.299,1031 0.05,1032 10.541,1033 5.753,1034 8.775,1035 0.662,1036 10.637,1037 2.234,1038 6.312,1039 7.939,1041 12.279,1042 6.102,1043 10.16,1044 0.044,1045 12.393,1046 1.678,1047 7.81,1048 9.866,1049 0.008,1050 14.904,1051 7.562,1052 11.568,1053 -0.347,1054 14.177,1055 0.113,1056 8.585,1057 10.926,1059 16.99,1060 8.312,1061 12.995,1062 -0.395,1063 15.981,1064 -0.891,1065 9.856,1066 12.604,1067 0.001,1068 19.436,1069 9.549,1070 3.11,1071 -0.561,1072 17.801,1073 -1.032,1074 10.817,1075 13.874,1077 21.666,1078 10.486,1079 2.988,1080 10.468,1081 19.632,1082 -1.333,1083 11.994,1084 15.438,1086 24.043,1087 11.631,1088 2.57,1089 10.06,1090 21.473,1091 4.462,1092 13.04,1093 16.813,1095 26.332,1096 12.651,1097 2.109,1098 7.447,1099 23.32,1100 4.094,1101 14.179,1102 18.326,1104 28.683,1105 13.76,1106 1.879,1107 6.328,1108 25.173,1109 3.562,1110 15.264,1111 19.752,1113 30.998,1114 14.817,1115 1.818,1116 5.309,1117 27.03,1118 2.866,1119 16.389,1120 21.244,1122 33.339,1123 15.912,1124 1.548,1125 4.963,1126 28.891,1127 2.512,1128 17.491,1129 22.696,1131 35.665,1132 16.986,1133 5875,1134 9795,1135 18.493,1136 27.086,1137 40.865,1138 40.34,1139 41.332,1140 40.468,1141 40.426,1142 56.788,1143 0.8,1144 116.456,1145 38.493,1146 5.319,1147 5.181,1148 6.255,1149 5.177,1150 5.11,1151 7.462,1152 0.8,1153 17.472,1154 5.014,1155 8.705,1156 1.514,1157 1.494,1158 1.531,1159 1.499,1160 1.497,1161 2.103,1162 0.03,1163 4.313,1164 1.426,1165 4.124,1166 4.162,1167 4.083,1168 4.032,1169 5.259,1170 4.04,1171 3.94,1172 3.988,1173 3.91,1174 3.805,1175 5.002,1176 3.824,1177 3.703,1178 3.768,1179 3.656,1180 3.497,1181 4.872,1182 3.53,1183 3.407,1184 3.468,1185 3.305,1186 3.272,1187 4.671,1188 3.271,1189 3.172,1190 3.278,1191 3.001,1192 2.961,1193 4.323,1194 2.961,1195 3.102,1196 3.173,1197 2.99,1198 2.915,1199 4.03,1200 2.923,1201 2.951,1202 3.041,1203 2.857,1204 2.742,1205 3.989,1206 2.76,1207 2.714,1208 2.793,1209 2.606,1210 2.513,1211 3.741,1212 2.53,1213 0.168,1214 0.118,1215 0.243,1216 0.151,1217 0.115,1218 4.529,1219 0.165,1220 3.181,1221 0.015,1222 6.574,1223 0.388,1224 4.077,1225 0.112,1226 3.11,1227 4.462,1228 0.4,1229 10.468,1230 3.014,1231 1.953,1232 1.926,1233 2.03,1234 2.072,1235 1.162,1236 2.057,1237 1.849,1238 1.814,1239 1.931,1240 1.986,1241 0.989,1242 1.971,1243 1.614,1244 1.551,1245 1.763,1246 1.833,1247 0.766,1248 1.814,1249 1.483,1250 1.421,1251 1.656,1252 1.695,1253 0.659,1254 1.69,1255 1.147,1256 1.055,1257 1.439,1258 1.442,1259 0.348,1260 1.46,1261 1.029,1262 0.973,1263 1.227,1264 1.239,1265 0.299,1266 1.24,1267 0.984,1268 0.912,1269 1.204,1270 1.187,1271 0.19,1272 1.207,1273 0.852,1274 0.77,1275 1.095,1276 1.159,1277 0.02,1278 1.15,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.595,1285 8.473,1286 6.605,1287 10.138,1289 1.783,1293 5.753,1296 3.367,1305 26.257,1306 58.389,1307 145.866,1308 181.866,1309 197.376,1310 199.376,1311 199.376,1312 25.395,1313 7.385,1314 105.4,1315 105.4,1316 23,1317 12.46,1318 4.524,1319 3.585,1320 33.664,1321 76,1322 62,1323 0.214,1324 162.553,1325 260.22,1326 388.389,1327 16524,1329 16.518,1330 0.688,1331 0.541,1332 16.518,1333 12.985,1334 11.704,1335 0.433,1336 0.277,1337 7.367,1338 11.271,1339 7.196,1340 5.995,1341 11.704,1342 7.472,1343 10.667,1344 0.281,1345 0.14,1346 10.667,1347 5.333,1348 8.867,1349 0.174,1350 0.072,1351 8.867,1352 3.661,1353 8.091,1354 0.116,1355 0.038,1356 8.091,1357 2.63,1358 6.13,1359 0.073,1360 0.019,1361 6.13,1362 1.628,1363 0.327,1364 73.051,1365 0.233,1366 22.992,1367 0.618,1368 130,1369 362.558,1370 143.016,1371 363.39,1372 516.26,1373 342,1374 154,1375 403.986,1376 166.49,1377 410.551,1378 600.99,1379 388,1380 6.699}
{0 CHEMBL2165269,1 1.646,2 9.478,3 1.607,4 2.581,5 82.85,6 8.141,7 0.72,8 3.768,9 3.899,10 3.406,11 3.231,12 5.008,13 3.26,14 4.217,15 4.397,16 3.735,17 3.539,18 5.47,19 3.554,20 4.32,21 4.512,22 3.739,23 3.616,24 5.494,25 3.625,26 4.349,27 4.552,28 3.674,29 3.62,30 5.518,31 3.593,32 4.385,33 4.606,34 3.634,35 3.651,36 5.501,37 3.605,38 4.386,39 4.616,40 3.615,41 3.606,42 5.509,43 3.551,44 4.34,45 4.596,46 3.391,47 3.463,48 5.436,49 3.399,50 4.138,51 4.399,52 3.176,53 3.259,54 5.127,55 3.176,56 0.085,57 0.635,58 6.671,59 2.606,60 9.013,61 3.404,62 0.35,63 0.909,64 12.716,65 4.314,66 27.81,67 5.758,68 0.29,69 1.007,70 13.892,71 3.969,72 24.001,73 5.579,74 0.349,75 1.003,76 14.749,77 4.764,78 27.971,79 6.574,80 0.325,81 1.022,82 15.817,83 4.923,84 29.61,85 7.202,86 0.299,87 0.986,88 16.514,89 5.566,90 29.063,91 8.09,92 0.424,93 0.879,94 16.732,95 4.272,96 36.347,97 6.455,98 0.204,99 0.67,100 14.324,101 4.612,102 21.995,103 6.88,104 11,105 34,106 0.293,107 0.666,108 0.834,109 0.881,110 0.881,111 0.881,112 3.189,113 0.823,114 -4.2,115 -4.14,116 -3.92,119 39.5,120 1,124 1,142 4,143 1,144 1,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 8,177 2,178 3,180 2,183 1,187 5,190 1,192 2,198 2,199 5,201 1,202 3,204 3,207 2,209 2,211 1,212 3,215 1,217 1,220 3,222 1,223 1,224 5,226 1,227 2,228 1,229 2,231 1,232 3,234 1,236 3,237 4,245 1,250 2,255 1,258 1,260 1,262 3,263 3,265 1,266 1,268 1,271 1,273 1,275 751,276 15.61,277 15.61,278 15.61,279 15.61,280 15.61,281 13.397,282 19.388,283 9.297,284 16.203,285 12.309,286 12.309,287 12.309,288 12.309,289 12.309,290 9.019,291 28.039,292 4.381,293 13.197,294 3.602,295 1.51,296 0.566,297 0.303,298 0.303,299 0.303,300 3.871,303 1,304 1,305 1,306 463,307 2.345,311 215.623,318 1.456,319 19.806,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50.5,331 218,332 4.422,333 3.127,334 6.526,335 4.018,336 3.063,337 4.103,338 0.86,339 10.307,340 2.928,341 4.062,342 2.877,343 5.606,344 3.613,345 2.678,346 3.663,347 0.4,348 7.678,349 2.507,350 3.937,351 2.723,352 5.425,353 3.456,354 2.53,355 3.524,357 7.131,358 2.338,359 3.475,360 2.408,361 5.143,362 3.093,363 2.168,364 2.765,366 6.33,367 1.991,368 3.232,369 2.086,370 4.839,371 2.797,372 1.879,373 2.504,375 5.273,376 1.725,377 3.225,378 1.9,379 4.618,380 2.753,381 1.825,382 2.481,384 4.963,385 1.688,386 2.864,387 1.482,388 3.957,389 2.397,390 1.421,391 2.02,393 3.238,394 1.383,395 2.55,396 1.112,397 3.593,398 1.999,399 1.058,400 1.575,402 2.697,403 0.993,404 2.5,405 1.066,406 3.414,407 1.959,408 1,409 1.5,411 2.275,412 0.957,413 1.757,414 1,415 3,416 1.453,417 0.593,418 0.666,420 1.029,421 0.506,422 1.335,423 0.319,424 2.681,425 1.002,426 0.086,427 0.104,428 0.182,429 0.078,430 1,431 -0.126,432 2.527,433 0.573,434 -0.347,435 -0.445,436 -0.891,437 -0.317,438 0.958,439 -0.21,440 2.382,441 0.532,442 -0.387,443 -0.496,445 -0.9,446 -0.356,447 0.772,448 -0.28,449 2,450 0.373,451 -0.551,452 -0.665,454 -1.249,455 -0.507,456 0.601,457 -0.648,458 2,459 0.164,460 -0.792,461 -1.022,463 -1.901,464 -0.753,465 10.633,466 0.462,467 0.52,468 0.023,469 35.75,470 1.554,471 19.5,472 0.848,473 16.25,474 0.707,475 13.572,476 0.59,477 24.167,478 0.636,479 24.571,480 1.068,481 7.24,482 0.315,483 3.913,484 0.17,485 0.132,487 0.329,493 1.029,494 1.515,495 0.732,496 1.13,497 1.117,498 0.907,499 0.908,500 0.963,501 0.713,502 0.849,503 0.641,504 0.78,505 1.284,506 1.228,507 1.008,508 0.945,509 1.131,510 0.909,511 0.999,512 1.024,513 1.059,514 1.04,515 0.918,516 1.058,517 0.867,518 1.082,519 1.047,520 1.017,521 1.113,522 1.042,523 0.67,524 1.113,525 0.876,526 1.121,527 0.705,528 1.057,529 1.137,530 0.78,531 1.224,532 0.857,533 1.245,534 1,535 0.785,536 1.063,537 0.83,538 1.102,539 0.77,540 0.998,541 5,542 0.095,543 2,544 1.438,545 1.138,546 0.743,547 0.363,548 0.323,549 0.217,550 0.108,551 5423,552 16572,553 2.067,554 39.5,556 7,558 2,559 3,560 3,564 1.659,565 1.944,566 3.215,567 1.118,568 1,569 1,571 1,573 62.563,574 1.646,575 3.738,576 4.682,577 4.945,578 4.945,579 4.945,580 2.682,581 4.002,582 4.494,583 3.356,584 849.152,585 7.75,586 9594.39,587 1,588 1,590 1,591 199.421,592 1.371,593 4.458,594 0.2,595 0.012,596 0.059,597 0.042,598 0.037,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.421,605 0.33,606 1,607 0.777,608 107.142,609 -0.157,610 -0.321,611 0.036,612 -0.12,613 -0.256,614 -0.017,615 0.206,616 0.122,617 0.184,618 0.119,619 0.29,620 0.126,621 -0.285,622 -0.114,623 -0.127,624 -0.022,625 -0.239,626 -0.032,627 -0.054,628 0.05,629 -0.16,630 -0.088,631 -0.023,632 -0.143,633 -0.083,634 -0.036,635 -0.135,636 -0.048,637 -0.185,638 -0.088,639 0.119,640 -0.135,641 0.074,642 -0.117,643 0.18,644 -0.053,645 -0.167,646 0.205,647 -0.226,648 0.05,649 -0.233,650 -0.063,651 0.056,652 -0.211,653 0.206,654 -0.062,655 0.156,656 0.08,657 1.492,658 1.704,659 0.783,660 17.58,661 1.015,662 1.141,663 2.972,664 8.833,665 0.672,666 3.258,667 3.555,668 3.784,669 4.043,670 4.263,671 4.277,672 4.304,673 4.407,674 4.419,675 4.394,676 5.608,677 0.657,678 309.37,679 3.258,680 4.779,681 5.609,682 6.475,683 7.323,684 8.195,685 9.05,686 9.924,687 10.782,688 11.658,689 18.4,693 1,697 1,699 5,702 1,704 6,705 5,709 7,711 18,722 1,724 1,729 1,731 38,733 18,735 25,737 40,738 15,739 13,746 3,747 3,752 1,761 13,762 2,777 1,778 1,781 15,782 8,783 3,784 8,790 7,794 1,795 1,805 2,812 3,840 3,844 2,848 23,849 1,855 1,856 1,870 2.6,875 1,877 11.833,878 7.5,879 5.139,880 1.992,881 3.491,882 1.506,883 0.985,884 4.306,885 10.395,886 3.555,887 4.167,888 4.725,889 5.306,890 5.865,891 6.023,892 6.352,893 6.762,894 7.08,895 7.355,896 1,897 34,898 8.373,900 3.418,901 7.79,902 15.633,904 11.992,905 2.29,906 52.667,910 141.253,911 95.348,912 134.836,914 11,917 95.348,918 152.253,919 134.836,920 19.708,922 70.802,923 107.47,924 57.704,925 9.042,926 117.711,928 141.253,929 230.183,930 11,933 145.909,934 11,937 46.83,938 94.77,939 83.928,941 141.253,942 145.835,943 95.348,946 141.253,947 19.64,948 75.708,949 18.011,950 127.825,951 141.253,952 145.835,953 95.348,955 0.573,956 0.329,957 0.182,958 0.101,959 16,960 7,961 0.1,962 4,964 1,965 3.512,966 180.628,968 18,969 104.042,974 15.129,975 6.547,976 3.524,978 145.835,979 10.612,980 20.964,984 3.82,986 50.908,987 382.437,988 34,999 38.574,1000 43.358,1001 0.314,1002 0.712,1003 0.892,1004 0.942,1005 0.942,1006 0.942,1007 4.758,1008 1.058,1009 5.58,1010 3.238,1011 4.234,1012 4.852,1013 1.029,1014 6.347,1015 4.104,1016 5.966,1017 1,1018 7.107,1019 2.697,1020 3.761,1021 4.559,1023 7.14,1024 3.574,1025 7.261,1026 0.593,1027 8.73,1028 2.275,1029 5.784,1030 7.036,1031 0.763,1032 10.219,1033 5.534,1034 8.589,1035 0.086,1036 10.408,1037 1.029,1038 6.089,1039 7.499,1041 11.844,1042 5.788,1043 9.944,1044 -0.347,1045 12.123,1046 0.182,1047 7.589,1048 9.459,1049 0.597,1050 14.445,1051 7.237,1052 11.318,1053 -0.387,1054 13.866,1055 -0.891,1056 8.281,1057 10.312,1059 16.455,1060 7.884,1061 12.709,1062 -0.551,1063 15.629,1064 -0.9,1065 9.551,1066 12.016,1067 0.47,1068 18.883,1069 9.108,1070 3.063,1071 -0.792,1072 17.409,1073 -1.249,1074 10.443,1075 13.092,1077 21.072,1078 9.96,1079 2.678,1080 10.307,1081 19.204,1082 -1.901,1083 11.61,1084 14.656,1085 0.367,1086 23.436,1087 11.083,1088 2.53,1089 7.678,1090 21.011,1091 4.103,1092 12.606,1093 15.862,1095 25.705,1096 12.039,1097 2.168,1098 7.131,1099 22.828,1100 3.663,1101 13.729,1102 17.349,1103 0.283,1104 28.047,1105 13.122,1106 1.879,1107 6.33,1108 24.654,1109 3.524,1110 14.779,1111 18.633,1113 30.351,1114 14.131,1115 1.825,1116 5.273,1117 26.488,1118 2.765,1119 15.887,1120 20.077,1121 0.217,1122 32.686,1123 15.199,1124 1.421,1125 4.963,1126 28.328,1127 2.504,1128 16.964,1129 21.407,1131 35.006,1132 16.236,1133 5327,1134 9445,1135 16.701,1136 25.54,1137 36.847,1138 37.031,1139 37.841,1140 36.572,1141 36.603,1142 49.808,1143 2.52,1144 102.207,1145 34.188,1146 5.205,1147 5.127,1148 6.208,1149 5.118,1150 5.063,1151 7.103,1152 1.72,1153 17.19,1154 4.872,1155 10.623,1156 1.474,1157 1.481,1158 1.514,1159 1.463,1160 1.464,1161 1.992,1162 0.101,1163 4.088,1164 1.368,1165 3.986,1166 4.033,1167 3.955,1168 3.849,1169 5.259,1170 3.868,1171 3.841,1172 3.885,1173 3.8,1174 3.703,1175 5.002,1176 3.719,1177 3.693,1178 3.752,1179 3.643,1180 3.494,1181 4.873,1182 3.526,1183 3.274,1184 3.336,1185 3.129,1186 3.002,1187 4.671,1188 3.021,1189 3.171,1190 3.278,1191 2.993,1192 2.944,1193 4.409,1194 2.941,1195 3.008,1196 3.092,1197 2.882,1198 2.804,1199 4.03,1200 2.811,1201 2.921,1202 3.018,1203 2.786,1204 2.692,1205 3.948,1206 2.701,1207 2.762,1208 2.848,1209 2.623,1210 2.546,1211 3.791,1212 2.561,1213 0.177,1214 0.125,1215 0.261,1216 0.161,1217 0.123,1218 4.422,1219 0.164,1220 3.127,1221 0.034,1222 6.526,1223 0.412,1224 4.018,1225 0.117,1226 3.063,1227 4.103,1228 0.86,1229 10.307,1230 2.928,1231 1.9,1232 1.862,1233 1.977,1234 2.059,1235 1.027,1236 2.035,1237 1.782,1238 1.747,1239 1.881,1240 1.952,1241 0.912,1242 1.928,1243 1.612,1244 1.55,1245 1.762,1246 1.825,1247 0.765,1248 1.808,1249 1.207,1250 1.138,1251 1.57,1252 1.521,1253 0.575,1254 1.536,1255 1.147,1256 1.053,1257 1.439,1258 1.442,1259 0.344,1260 1.46,1261 0.972,1262 0.896,1263 1.197,1264 1.218,1265 0.204,1266 1.222,1267 0.856,1268 0.777,1269 1.106,1270 1.153,1271 0.044,1272 1.145,1273 0.723,1274 0.637,1275 0.986,1276 0.983,1278 1,1279 3.932,1281 5.231,1283 6.73,1285 8.318,1287 9.952,1289 3.332,1293 5.704,1296 3.191,1297 5.043,1305 24.972,1306 62.563,1307 142.037,1308 177.911,1309 187.911,1310 187.911,1311 187.911,1312 26.152,1313 6.905,1314 111.73,1315 111.73,1316 18,1317 12.2,1318 4.248,1319 3.322,1320 36.736,1321 75,1322 91,1323 0.237,1324 157.685,1325 260.31,1326 376.512,1327 8751,1329 16.234,1330 0.706,1331 0.552,1332 16.234,1333 12.686,1334 11.152,1335 0.446,1336 0.274,1337 6.716,1338 10.567,1339 6.519,1340 5.476,1341 11.152,1342 6.861,1343 9.917,1344 0.292,1345 0.138,1346 9.917,1347 4.678,1348 7.968,1349 0.185,1350 0.07,1351 7.968,1352 3.021,1353 6.812,1354 0.122,1355 0.036,1356 6.812,1357 2.02,1358 5.35,1359 0.076,1360 0.018,1361 5.35,1362 1.278,1363 0.366,1364 70.858,1365 0.245,1366 22.448,1367 0.667,1368 118,1369 387.606,1370 134.006,1371 376.753,1372 522.47,1373 354,1374 136,1375 396.024,1376 151.009,1377 400.986,1378 580.37,1379 375,1380 6.959}
{0 CHEMBL2165270,1 1.582,2 8.045,3 2.418,4 5.845,5 82.961,6 7.929,7 0.75,8 3.729,9 3.855,10 3.338,11 3.264,12 4.968,13 3.267,14 4.155,15 4.315,16 3.68,17 3.598,18 5.392,19 3.584,20 4.37,21 4.566,22 3.678,23 3.677,24 5.529,25 3.65,26 4.361,27 4.572,28 3.633,29 3.648,30 5.507,31 3.593,32 4.368,33 4.579,34 3.586,35 3.664,36 5.482,37 3.61,38 4.397,39 4.627,40 3.602,41 3.663,42 5.535,43 3.587,44 4.356,45 4.599,46 3.368,47 3.548,48 5.445,49 3.46,50 4.194,51 4.447,52 3.097,53 3.323,54 5.283,55 3.198,56 0.068,57 0.587,58 6.809,59 2.818,60 11.566,61 3.543,62 0.124,63 0.882,64 11.204,65 4.65,66 15.889,67 6.152,68 0.238,69 1.03,70 15.497,71 4.887,72 30.79,73 6.555,74 0.259,75 0.996,76 15.828,77 5.734,78 28.214,79 7.943,80 0.233,81 1.008,82 15.884,83 5.23,84 31.222,85 7.153,86 0.271,87 1.008,88 17.055,89 6.345,90 32.748,91 8.969,92 0.247,93 0.926,94 16.878,95 5.358,96 31.125,97 7.526,98 0.211,99 0.714,100 15.217,101 5.491,102 33.006,103 7.722,104 10,105 33,106 0.283,107 0.643,108 0.805,109 0.9,110 0.9,111 0.9,112 3.147,113 0.843,114 -3.93,115 -3.88,116 -3.68,119 43.2,120 1,142 7,143 1,144 2,145 1,146 1,147 2,149 1,163 1,164 1,165 1,172 4,174 1,175 7,177 1,178 2,180 6,183 5,185 1,187 2,192 3,195 2,198 1,199 5,201 1,202 2,203 1,204 6,207 5,209 2,212 2,217 1,220 4,222 1,223 1,224 5,226 1,227 3,228 1,229 3,231 1,232 7,234 1,237 1,242 1,245 3,250 3,253 1,255 4,258 4,260 2,263 1,268 1,271 1,273 1,275 640,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.474,282 17.231,283 8.832,284 15.064,285 11.898,286 11.898,287 11.898,288 11.898,289 11.898,290 8.603,291 26.256,292 4.256,293 12.447,294 3.627,295 1.619,296 0.714,297 0.183,298 0.183,299 0.183,300 3.828,303 1,304 1,305 1,306 376,307 2.121,311 200.932,318 1.236,319 19.704,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 47.5,331 177,332 4.422,333 3.129,334 6.526,335 4.03,336 3.063,337 4.104,338 0.4,339 10.308,340 2.962,341 4.069,342 2.832,343 5.622,344 3.64,345 2.683,346 3.674,348 7.751,349 2.571,350 3.93,351 2.653,352 5.42,353 3.463,354 2.514,355 3.521,357 7.124,358 2.375,359 3.341,360 2.249,361 4.961,362 2.963,363 2.021,364 2.603,366 5.708,367 1.898,368 3.232,369 2.084,370 4.671,371 2.822,372 1.879,373 2.481,375 4.967,376 1.769,377 3.194,378 1.869,379 4.618,380 2.731,381 1.786,382 2.466,384 4.963,385 1.683,386 2.861,387 1.469,388 3.95,389 2.392,390 1.414,391 2.016,393 3.226,394 1.38,395 2.653,396 1.211,397 3.593,398 2.167,399 1.176,400 1.725,402 2.697,403 1.164,404 2.55,405 1.067,406 3.479,407 2.01,408 1.058,409 1.574,411 2.582,412 1.005,413 1.394,414 0.238,415 2.902,416 1.046,417 0.1,418 0.125,420 0.264,421 0.094,422 1,423 -0.057,424 2.612,425 0.606,426 -0.347,427 -0.445,428 -0.879,429 -0.327,430 0.982,431 -0.126,432 2.382,433 0.555,434 -0.382,435 -0.492,436 -0.891,437 -0.356,438 0.886,439 -0.26,440 2,441 0.479,442 -0.446,443 -0.559,445 -1.138,446 -0.411,447 0.715,448 -0.457,449 2,450 0.324,451 -0.624,452 -0.759,454 -1.543,455 -0.589,456 0.593,457 -0.769,458 2,459 0.139,460 -0.834,461 -1.134,463 -2.056,464 -0.81,465 10.333,466 0.47,467 0.558,468 0.025,469 34,470 1.545,471 19.5,472 0.886,473 14.5,474 0.659,475 12.902,476 0.586,477 22.667,478 0.613,479 23.254,480 1.057,481 6.841,482 0.311,483 3.773,484 0.172,485 0.119,487 0.339,493 1.082,494 1.209,495 0.791,496 0.904,497 1.144,498 0.814,499 0.645,500 1.199,501 0.724,502 1.067,503 0.525,504 0.937,505 1.401,506 1.124,507 1.115,508 0.938,509 1.214,510 0.958,511 0.733,512 1.061,513 0.913,514 1.052,515 0.659,516 1.021,517 1.219,518 1.066,519 1.133,520 0.965,521 1.105,522 1.011,523 0.485,524 0.929,525 0.838,526 1.021,527 0.514,528 0.995,529 1.183,530 0.899,531 1.201,532 0.993,533 1.027,534 1.062,535 0.872,536 0.983,537 0.999,538 1.131,539 1.029,540 1.11,541 5,542 0.037,543 1.778,544 1.688,545 1.018,546 0.681,547 0.365,548 0.321,549 0.151,550 0.119,551 4682,552 13625,553 2.07,554 40.5,556 7,558 1,559 4,560 3,564 1.649,565 1.941,566 3.046,567 1.87,568 1,569 1,571 1,573 58.537,574 1.582,575 3.59,576 4.496,577 5.027,578 5.027,579 5.027,580 2.461,581 3.641,582 4.434,583 3.192,584 737.444,585 7.637,586 8072.81,587 1,588 1,590 1,591 192.75,592 1.395,593 4.392,594 0.208,595 0.006,596 0.054,597 0.053,598 0.034,599 0.023,600 0.013,601 0.015,602 0.009,603 0.012,604 0.427,605 0.5,606 1,607 0.595,608 100.038,609 -0.19,610 -0.061,611 -0.002,612 0.072,613 -0.27,614 0.068,615 0.155,616 -0.103,617 0.114,618 -0.091,619 0.165,620 -0.018,621 -0.317,622 -0.041,623 -0.197,624 -0.022,625 -0.268,626 -0.072,627 0.158,628 -0.049,629 0.022,630 -0.085,631 0.136,632 -0.065,633 -0.272,634 -0.02,635 -0.206,636 -0.024,637 -0.237,638 -0.086,639 0.28,640 0.043,641 0.118,642 -0.029,643 0.209,644 0.004,645 -0.236,646 0.085,647 -0.216,648 -0.045,649 -0.148,650 -0.1,651 0.096,652 -0.139,653 0.037,654 -0.1,655 0.105,656 -0.054,657 1.482,658 3.553,659 0.818,660 14.992,661 1.007,662 1.129,663 2.699,664 7.284,665 0.684,666 3.219,667 3.526,668 3.738,669 4.025,670 4.22,671 4.234,672 4.248,673 4.357,674 4.331,675 4.317,676 5.183,677 0.661,678 293.36,679 3.219,680 4.745,681 5.572,682 6.444,683 7.288,684 8.166,685 9.017,686 9.897,687 10.752,688 11.632,689 13.5,693 1,697 1,699 3,704 8,705 3,709 7,711 18,722 1,724 1,728 1,731 37,733 18,734 1,735 24,737 39,738 16,739 15,740 2,741 4,746 3,747 3,752 1,761 15,762 1,777 1,778 1,781 15,782 6,783 4,784 6,790 5,794 1,795 1,805 1,806 1,812 3,840 3,844 1,848 22,849 1,853 1,855 1,870 2.7,872 1,877 11.333,878 6.8,879 4.806,880 1.978,881 3.483,882 1.512,883 0.982,884 3.897,885 10.286,886 3.526,887 4.151,888 4.698,889 5.295,890 5.833,891 5.994,892 6.31,893 6.738,894 7.039,895 7.315,896 1,897 32,898 8.037,900 3.353,901 7.826,902 15.059,904 11.909,905 2.326,906 51.167,910 129.482,911 99.889,912 101.265,914 42.683,917 99.889,918 172.165,919 101.265,920 8.825,922 99.231,923 104.811,924 38.085,925 4.656,926 117.711,928 129.482,929 201.154,930 42.683,933 131.81,934 42.683,937 38.64,938 109.829,939 50.357,941 129.482,942 143.948,943 99.889,946 129.482,947 15.683,948 84.206,949 18.011,950 125.937,951 129.482,952 143.948,953 99.889,955 0.577,956 0.321,957 0.184,958 0.101,959 16,960 7,961 0.077,962 3,964 1,965 3.4,966 171.631,968 18,969 98.107,974 14.295,975 5.997,976 3.347,978 143.948,979 13.96,980 12.827,984 4.064,986 93.591,987 373.319,988 33,999 37.254,1000 41.777,1001 0.304,1002 0.689,1003 0.863,1004 0.965,1005 0.965,1006 0.965,1007 4.732,1008 1.176,1009 5.549,1010 3.226,1011 4.205,1012 4.836,1013 0.278,1014 6.319,1015 4.116,1016 5.947,1017 1.058,1018 7.076,1019 2.697,1020 3.761,1021 4.559,1023 7.096,1024 3.616,1025 7.244,1026 0.1,1027 8.698,1028 2.582,1029 5.753,1030 7.024,1031 0.05,1032 10.197,1033 5.582,1034 8.573,1035 -0.347,1036 10.376,1037 0.264,1038 6.066,1039 7.487,1041 11.815,1042 5.844,1043 9.927,1044 -0.382,1045 12.091,1046 -0.879,1047 7.561,1048 9.449,1049 0.008,1050 14.433,1051 7.316,1052 11.302,1053 -0.446,1054 13.834,1055 -0.891,1056 8.26,1057 10.305,1059 16.443,1060 7.973,1061 12.692,1062 -0.624,1063 15.599,1064 -1.138,1065 9.529,1066 12.012,1067 0.001,1068 18.88,1069 9.217,1070 3.063,1071 -0.834,1072 17.382,1073 -1.543,1074 10.428,1075 13.09,1077 21.069,1078 10.079,1079 2.683,1080 10.308,1081 19.18,1082 -2.056,1083 11.596,1084 14.656,1086 23.437,1087 11.22,1088 2.514,1089 7.751,1090 20.99,1091 4.104,1092 12.597,1093 15.865,1095 25.706,1096 12.186,1097 2.021,1098 7.124,1099 22.81,1100 3.674,1101 13.722,1102 17.352,1104 28.05,1105 13.283,1106 1.879,1107 5.708,1108 24.639,1109 3.521,1110 14.774,1111 18.638,1113 30.354,1114 14.302,1115 1.786,1116 4.967,1117 26.476,1118 2.603,1119 15.884,1120 20.082,1122 32.689,1123 15.383,1124 1.414,1125 4.963,1126 28.318,1127 2.481,1128 16.962,1129 21.414,1131 35.008,1132 16.429,1133 4587,1134 7931,1135 16.008,1136 25.29,1137 35.794,1138 35.318,1139 36.483,1140 35.445,1141 35.389,1142 48.581,1143 0.8,1144 99.176,1145 33.8,1146 5.202,1147 5.129,1148 6.208,1149 5.102,1150 5.063,1151 7.104,1152 0.8,1153 17.194,1154 4.962,1155 10.085,1156 1.491,1157 1.472,1158 1.52,1159 1.477,1160 1.475,1161 2.024,1162 0.033,1163 4.132,1164 1.408,1165 4.003,1166 4.043,1167 3.965,1168 3.892,1169 6.471,1170 3.904,1171 3.868,1172 3.901,1173 3.816,1174 3.778,1175 5.197,1176 3.783,1177 3.707,1178 3.76,1179 3.651,1180 3.549,1181 4.911,1182 3.568,1183 3.203,1184 3.298,1185 3.021,1186 3.033,1187 4.668,1188 3.016,1189 3.099,1190 3.167,1191 3,1192 2.904,1193 4.609,1194 2.918,1195 2.957,1196 3.048,1197 2.859,1198 2.746,1199 3.962,1200 2.754,1201 2.92,1202 2.967,1203 2.787,1204 2.726,1205 3.94,1206 2.739,1207 2.655,1208 2.736,1209 2.536,1210 2.468,1211 3.672,1212 2.48,1213 0.184,1214 0.13,1215 0.272,1216 0.168,1217 0.128,1218 4.422,1219 0.171,1220 3.129,1221 0.017,1222 6.526,1223 0.429,1224 4.03,1225 0.123,1226 3.063,1227 4.104,1228 0.4,1229 10.308,1230 2.962,1231 1.933,1232 1.901,1233 2.017,1234 2.066,1235 1.087,1236 2.052,1237 1.844,1238 1.817,1239 1.945,1240 1.963,1241 1.008,1242 1.959,1243 1.651,1244 1.599,1245 1.788,1246 1.83,1247 0.791,1248 1.821,1249 1.215,1250 1.134,1251 1.532,1252 1.458,1253 0.561,1254 1.49,1255 1.039,1256 0.976,1257 1.244,1258 1.287,1259 0.281,1260 1.278,1261 0.883,1262 0.839,1263 1.144,1264 1.188,1265 0.145,1266 1.184,1267 0.878,1268 0.8,1269 1.127,1270 1.13,1271 0.072,1272 1.13,1273 0.621,1274 0.548,1275 0.92,1276 0.876,1278 0.894,1279 3.892,1281 5.198,1283 6.698,1285 8.289,1287 9.925,1289 1.79,1293 5.794,1294 9.553,1296 3.178,1305 24.456,1306 58.537,1307 132.834,1308 166.343,1309 185.995,1310 185.995,1311 185.995,1312 28.999,1313 6.802,1314 96.95,1315 96.95,1316 18,1317 12.173,1318 4.248,1319 3.322,1320 34.266,1321 67,1322 62,1323 0.25,1324 153.689,1325 255.61,1326 366.761,1327 7628,1329 15.527,1330 0.706,1331 0.545,1332 15.527,1333 11.985,1334 10.614,1335 0.442,1336 0.281,1337 6.655,1338 10.238,1339 6.478,1340 5.418,1341 10.614,1342 6.743,1343 9.759,1344 0.296,1345 0.145,1346 9.759,1347 4.8,1348 7.469,1349 0.182,1350 0.074,1351 7.469,1352 3.05,1353 6.71,1354 0.122,1355 0.039,1356 6.71,1357 2.161,1358 5.1,1359 0.076,1360 0.02,1361 5.1,1362 1.359,1363 0.381,1364 66.23,1365 0.25,1366 21.411,1367 0.72,1368 114,1369 332.73,1370 125.179,1371 332.375,1372 459.97,1373 310,1374 131,1375 349.227,1376 141.154,1377 355.968,1378 513.18,1379 335,1380 7.553}
{0 CHEMBL2165271,1 1.497,2 8.167,3 2.329,4 5.423,5 91.282,6 8.138,7 0.815,8 3.803,9 3.939,10 3.45,11 3.347,12 5.011,13 3.354,14 4.251,15 4.416,16 3.805,17 3.71,18 5.432,19 3.702,20 4.428,21 4.626,22 3.8,23 3.785,24 5.531,25 3.76,26 4.452,27 4.66,28 3.775,29 3.774,30 5.564,31 3.726,32 4.473,33 4.698,34 3.679,35 3.763,36 5.53,37 3.705,38 4.459,39 4.691,40 3.733,41 3.759,42 5.559,43 3.696,44 4.432,45 4.663,46 3.565,47 3.698,48 5.487,49 3.623,50 4.334,51 4.597,52 3.322,53 3.509,54 5.317,55 3.396,56 0.079,57 0.675,58 6.797,59 2.78,60 9.378,61 3.525,62 0.143,63 1.02,64 11.702,65 4.696,66 16.379,67 6.215,68 0.204,69 1.156,70 15.318,71 5.031,72 22.337,73 6.756,74 0.253,75 1.16,76 16.112,77 5.914,78 23.394,79 8.084,80 0.238,81 1.142,82 17.338,83 5.674,84 27.456,85 7.815,86 0.28,87 1.121,88 17.654,89 6.554,90 29.938,91 9.2,92 0.227,93 1.073,94 16.908,95 5.615,96 27.623,97 7.779,98 0.215,99 0.91,100 16.825,101 5.856,102 25.869,103 8.448,104 5,105 38,106 0.261,107 0.65,108 0.814,109 0.893,110 0.893,111 0.893,112 3.229,113 0.829,114 -4.15,115 -4.1,116 -3.87,119 43.6,120 1,142 6,143 2,144 1,145 2,146 1,147 2,149 1,152 1,163 1,164 1,165 1,168 1,172 4,174 1,175 8,177 1,178 2,180 6,183 5,185 1,187 3,192 3,195 2,198 1,199 7,201 1,202 3,203 1,204 6,207 5,209 2,212 2,217 1,220 4,222 1,223 2,224 6,226 1,227 3,228 1,229 3,231 1,232 7,234 1,237 2,242 1,245 3,249 1,250 5,253 1,255 4,258 4,260 2,263 1,268 1,271 1,273 1,275 790,276 16.447,277 16.447,278 16.447,279 16.447,280 16.447,281 13.8,282 15.074,283 9.754,284 16.791,285 13.38,286 13.38,287 13.38,288 13.38,289 13.38,290 9.487,291 23.388,292 4.65,293 13.944,294 3.788,295 1.565,296 0.622,297 0.173,298 0.173,299 0.173,300 3.929,303 1,304 1,305 1,306 432,307 2.236,310 45.907,311 194.831,314 85.626,318 1.264,319 16.629,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 51.5,331 196,332 4.529,333 3.181,334 6.574,335 4.081,336 3.11,337 4.462,338 0.4,339 10.468,340 3.021,341 4.396,342 3.014,343 6.464,344 3.964,345 2.988,346 4.094,348 10.06,349 2.914,350 3.973,351 2.691,352 5.547,353 3.507,354 2.57,355 3.562,357 7.447,358 2.404,359 3.488,360 2.218,361 5.215,362 3.064,363 2.109,364 2.866,366 6.328,367 2.012,368 3.232,369 2.084,370 4.883,371 2.822,372 1.879,373 2.512,375 5.309,376 1.771,377 3.229,378 1.866,379 4.618,380 2.761,381 1.818,382 2.481,384 4.963,385 1.708,386 3.048,387 1.548,388 4.135,389 2.536,390 1.548,391 2.321,393 3.681,394 1.528,395 2.875,396 1.469,397 3.943,398 2.405,399 1.427,400 2.037,402 3.25,403 1.393,404 2.55,405 1.068,406 3.595,407 2.011,408 1.058,409 1.575,411 2.697,412 1.005,413 2.5,414 1,415 3.412,416 1.97,417 1,418 1.5,420 2.234,421 0.968,422 2.094,423 0.727,424 3.244,425 1.621,426 0.662,427 0.927,428 1.678,429 0.633,430 1.381,431 0.139,432 2.802,433 0.994,434 0.044,435 0.058,436 0.113,437 0.042,438 1,439 -0.126,440 2.596,441 0.606,442 -0.347,443 -0.445,445 -0.891,446 -0.327,447 0.991,448 -0.259,449 2.382,450 0.546,451 -0.395,452 -0.52,454 -1.032,455 -0.374,456 0.798,457 -0.406,458 2.305,459 0.385,460 -0.561,461 -0.697,463 -1.333,464 -0.531,465 11.3,466 0.471,467 0.554,468 0.023,469 37.25,470 1.552,471 21,472 0.875,473 16.25,474 0.677,475 14.81,476 0.617,477 24.1,478 0.618,479 25.502,480 1.063,481 7.45,482 0.31,483 4.254,484 0.177,485 0.08,487 0.354,493 1.009,494 1.16,495 0.737,496 0.877,497 1.115,498 0.783,499 0.778,500 1.179,501 0.729,502 0.995,503 0.629,504 0.88,505 1.379,506 1.152,507 1.05,508 0.954,509 1.196,510 0.948,511 0.827,512 1.056,513 0.982,514 1.106,515 0.699,516 1.077,517 1.304,518 1.023,519 1.131,520 0.977,521 1.288,522 1.016,523 0.558,524 0.836,525 0.801,526 0.943,527 0.648,528 0.919,529 1.258,530 1.023,531 1.185,532 1.045,533 1.234,534 1.091,535 0.784,536 0.964,537 1.021,538 1.1,539 0.872,540 1.101,541 4.5,542 0.069,543 2.444,544 1.625,545 1.049,546 0.712,547 0.387,548 0.28,549 0.175,550 0.135,551 6244,552 17132,553 2.161,554 38.5,556 6,558 2,559 4,560 3,564 1.674,565 2.057,566 3.065,567 1.819,568 1,569 1,571 1,573 58.389,574 1.497,575 3.721,576 4.663,577 5.112,578 5.112,579 5.112,580 2.44,581 4.168,582 4.562,583 3.228,584 890.924,585 7.895,586 10318.2,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.008,596 0.064,597 0.044,598 0.03,599 0.022,600 0.011,601 0.01,602 0.008,603 0.009,604 0.374,605 0.33,606 1,607 0.49,608 112.189,609 -0.088,610 -0.009,611 0.028,612 0.061,613 -0.233,614 0.064,615 0.132,616 -0.093,617 0.103,618 -0.038,619 0.174,620 0.015,621 -0.321,622 -0.087,623 -0.155,624 -0.029,625 -0.277,626 -0.057,627 0.143,628 -0.037,629 -0.062,630 -0.146,631 0.153,632 -0.14,633 -0.297,634 -0.021,635 -0.181,636 -0.021,637 -0.283,638 -0.07,639 0.327,640 0.12,641 0.172,642 0.062,643 0.294,644 0.086,645 -0.282,646 -0.043,647 -0.221,648 -0.076,649 -0.259,650 -0.127,651 0.087,652 -0.079,653 0.019,654 -0.078,655 0.06,656 -0.048,657 1.232,658 1.856,659 0.875,660 16.34,661 1.006,662 1.132,663 2.921,664 8.533,665 0.695,666 3.332,667 3.664,668 3.951,669 4.263,670 4.443,671 4.511,672 4.595,673 4.727,674 4.718,675 4.771,676 5.359,677 0.673,678 317.39,679 3.332,680 4.875,681 5.733,682 6.621,683 7.494,684 8.386,685 9.264,686 10.157,687 11.037,688 11.931,689 17.9,693 1,697 2,699 4,703 2,704 8,705 4,706 1,709 6,711 22,722 1,724 1,731 39,733 22,734 1,735 27,737 42,738 17,739 16,740 3,741 3,746 4,747 5,752 1,761 16,762 1,777 1,778 1,781 15,782 6,783 4,784 7,790 7,794 0.75,803 1,805 1,806 1,811 1,812 3,815 1,840 3,844 1,848 24,849 1,855 1,877 11.667,878 7.3,879 5.194,880 2.149,881 4.445,882 1.602,883 1.055,884 3.596,885 11.829,886 3.664,887 4.334,888 4.974,889 5.618,890 6.129,891 6.416,892 6.81,893 7.254,894 7.461,895 7.826,896 1,897 37,898 8.766,900 3.715,901 7.681,902 16.635,904 13.509,905 2.181,906 52.333,910 129.482,911 104.177,912 134.591,917 104.177,918 129.482,919 134.591,920 8.825,922 89.755,923 90.562,924 66.369,925 6.8,926 105.94,928 129.482,929 238.768,933 131.81,937 64.351,938 105.07,939 67.02,941 129.482,942 134.591,943 104.177,946 129.482,947 20.4,948 83.778,949 34.674,950 99.917,951 129.482,952 134.591,953 104.177,955 0.581,956 0.34,957 0.2,958 0.103,959 20,960 8,961 0.071,962 3,963 1,964 1.095,965 3.613,966 204.217,967 0.095,968 21,969 110.039,974 14.608,975 5.909,976 2.829,977 1.951,978 117.928,979 14.994,980 17.133,981 2.959,984 4.259,986 67.571,987 368.25,988 38,999 39.247,1000 44.149,1001 0.283,1002 0.704,1003 0.882,1004 0.967,1005 0.967,1006 0.967,1007 4.879,1008 1.427,1009 5.714,1010 3.681,1011 4.344,1012 5.021,1013 0.278,1014 6.529,1015 4.265,1016 6.108,1017 1.058,1018 7.268,1019 3.25,1020 3.892,1021 4.808,1023 7.413,1024 3.779,1025 7.422,1026 1,1027 8.922,1028 2.697,1029 5.932,1030 7.299,1031 0.05,1032 10.541,1033 5.783,1034 8.775,1035 0.662,1036 10.637,1037 2.234,1038 6.312,1039 7.939,1041 12.279,1042 6.138,1043 10.16,1044 0.044,1045 12.393,1046 1.678,1047 7.81,1048 9.866,1049 0.008,1050 14.904,1051 7.603,1052 11.568,1053 -0.347,1054 14.177,1055 0.113,1056 8.585,1057 10.926,1059 16.99,1060 8.357,1061 12.995,1062 -0.395,1063 15.981,1064 -0.891,1065 9.856,1066 12.604,1067 0.001,1068 19.436,1069 9.599,1070 3.11,1071 -0.561,1072 17.801,1073 -1.032,1074 10.817,1075 13.874,1077 21.666,1078 10.539,1079 2.988,1080 10.468,1081 19.632,1082 -1.333,1083 11.994,1084 15.438,1086 24.043,1087 11.689,1088 2.57,1089 10.06,1090 21.473,1091 4.462,1092 13.04,1093 16.813,1095 26.332,1096 12.711,1097 2.109,1098 7.447,1099 23.32,1100 4.094,1101 14.179,1102 18.326,1104 28.683,1105 13.824,1106 1.879,1107 6.328,1108 25.173,1109 3.562,1110 15.264,1111 19.752,1113 30.998,1114 14.884,1115 1.818,1116 5.309,1117 27.03,1118 2.866,1119 16.389,1120 21.244,1122 33.339,1123 15.983,1124 1.548,1125 4.963,1126 28.891,1127 2.512,1128 17.491,1129 22.696,1131 35.665,1132 17.06,1133 5875,1134 9857,1135 18.493,1136 27.086,1137 40.865,1138 40.34,1139 41.332,1140 40.448,1141 40.426,1142 56.788,1143 0.8,1144 116.456,1145 38.797,1146 5.319,1147 5.181,1148 6.255,1149 5.153,1150 5.11,1151 7.462,1152 0.8,1153 17.472,1154 5.021,1155 8.705,1156 1.514,1157 1.494,1158 1.531,1159 1.498,1160 1.497,1161 2.103,1162 0.03,1163 4.313,1164 1.437,1165 4.11,1166 4.153,1167 4.075,1168 3.998,1169 5.2,1170 4.011,1171 3.954,1172 3.997,1173 3.92,1174 3.839,1175 5.097,1176 3.853,1177 3.717,1178 3.775,1179 3.664,1180 3.551,1181 4.889,1182 3.572,1183 3.362,1184 3.437,1185 3.275,1186 3.164,1187 4.657,1188 3.181,1189 3.203,1190 3.298,1191 3.02,1192 3.033,1193 4.414,1194 3.017,1195 3.1,1196 3.171,1197 2.996,1198 2.932,1199 3.994,1200 2.942,1201 2.958,1202 3.051,1203 2.859,1204 2.743,1205 3.941,1206 2.76,1207 2.714,1208 2.792,1209 2.606,1210 2.513,1211 3.693,1212 2.531,1213 0.168,1214 0.118,1215 0.243,1216 0.151,1217 0.115,1218 4.529,1219 0.165,1220 3.181,1221 0.015,1222 6.574,1223 0.388,1224 4.081,1225 0.112,1226 3.11,1227 4.462,1228 0.4,1229 10.468,1230 3.021,1231 1.959,1232 1.931,1233 2.035,1234 2.076,1235 1.163,1236 2.063,1237 1.876,1238 1.845,1239 1.959,1240 1.992,1241 1.036,1242 1.985,1243 1.652,1244 1.6,1245 1.789,1246 1.838,1247 0.792,1248 1.826,1249 1.316,1250 1.236,1251 1.532,1252 1.641,1253 0.561,1254 1.593,1255 1.215,1256 1.134,1257 1.462,1258 1.458,1259 0.417,1260 1.49,1261 1.028,1262 0.974,1263 1.226,1264 1.232,1265 0.302,1266 1.231,1267 0.962,1268 0.887,1269 1.186,1270 1.187,1271 0.157,1272 1.208,1273 0.84,1274 0.747,1275 1.101,1276 1.171,1278 1.164,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.595,1285 8.473,1286 6.605,1287 10.138,1289 1.815,1293 5.856,1296 3.367,1305 26.257,1306 58.389,1307 145.111,1308 181.866,1309 199.376,1310 199.376,1311 199.376,1312 26.583,1313 7.385,1314 105.4,1315 105.4,1316 23,1317 12.46,1318 4.524,1319 3.585,1320 33.664,1321 76,1322 62,1323 0.214,1324 162.553,1325 260.22,1326 388.389,1327 16524,1329 16.518,1330 0.688,1331 0.541,1332 16.518,1333 12.985,1334 11.704,1335 0.433,1336 0.276,1337 7.358,1338 11.262,1339 7.181,1340 5.985,1341 11.704,1342 7.462,1343 10.667,1344 0.281,1345 0.142,1346 10.667,1347 5.387,1348 8.867,1349 0.174,1350 0.072,1351 8.867,1352 3.679,1353 8.091,1354 0.116,1355 0.038,1356 8.091,1357 2.645,1358 6.13,1359 0.073,1360 0.02,1361 6.13,1362 1.646,1363 0.327,1364 73.143,1365 0.233,1366 22.992,1367 0.618,1368 130,1369 362.558,1370 142.184,1371 363.831,1372 515.1,1373 342,1374 154,1375 402.296,1376 166.24,1377 409.301,1378 595.17,1379 386,1380 6.824}
{0 CHEMBL2171918,1 1.472,2 10.714,3 6.206,4 38.519,5 136.538,6 7.322,7 0.575,8 4.263,9 4.381,10 3.836,11 3.84,12 5.305,13 3.813,14 4.836,15 5.012,16 4.247,17 4.268,18 5.829,19 4.234,20 5.099,21 5.29,22 4.361,23 4.473,24 6.083,25 4.406,26 5.236,27 5.47,28 4.351,29 4.55,30 6.143,31 4.45,32 5.248,33 5.465,34 4.39,35 4.608,36 6.144,37 4.504,38 5.336,39 5.566,40 4.444,41 4.644,42 6.228,43 4.542,44 5.34,45 5.558,46 4.437,47 4.644,48 6.308,49 4.54,50 5.416,51 5.671,52 4.303,53 4.596,54 6.355,55 4.462,56 0.018,57 0.997,58 13.18,59 6.023,60 8.574,61 7.883,62 0.201,63 1.69,64 26.125,65 10.057,66 26.89,67 13.449,68 0.36,69 2.199,70 34.673,71 13.308,72 39.16,73 17.9,74 0.438,75 2.428,76 41.397,77 15.671,78 47.537,79 22.1,80 0.227,81 2.411,82 40.556,83 16.904,84 35.648,85 23.477,86 0.363,87 2.625,88 45.618,89 18.001,90 42.613,91 25.168,92 0.404,93 2.738,94 45.212,95 17.766,96 53.334,97 24.499,98 0.478,99 2.904,100 52.144,101 19.938,102 80.187,103 26.889,104 17,105 60,106 0.233,107 0.548,108 0.754,109 0.838,110 0.838,111 0.838,112 3.59,113 0.914,114 -5.03,115 -4.93,116 -4.62,119 45.3,120 3,123 1,125 5,142 9,143 3,144 4,145 1,146 3,172 10,175 12,183 12,186 2,187 11,195 9,198 2,199 7,207 15,211 1,212 7,220 18,224 10,232 18,236 1,237 11,245 15,249 1,250 7,258 10,262 1,263 6,271 8,275 2203,276 23.747,277 23.747,278 23.747,279 23.747,280 23.747,281 21.083,282 26.336,283 13.74,284 24.273,285 19.785,286 19.785,287 19.785,288 19.785,289 19.785,290 15.718,291 37.718,292 6.574,293 20.664,294 4.528,295 2.531,296 1.223,297 0.692,298 0.692,299 0.692,300 4.306,305 1,306 839,307 3,310 64.081,311 426.813,314 118.83,315 137.026,318 1.494,319 28.24,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 74.5,331 375,332 4.779,333 3.791,334 7.503,335 4.546,336 3.566,337 4.625,338 0.86,339 13.444,340 3.502,341 4.592,342 3.361,343 6.996,344 4.231,345 3.25,346 4.139,347 0.8,348 11.816,349 3.184,350 4.136,351 3.112,352 6.318,353 3.792,354 2.846,355 3.763,356 0.8,357 9.477,358 2.699,359 4.034,360 2.925,361 6.189,362 3.717,363 2.745,364 3.345,366 9.172,367 2.667,368 3.854,369 2.801,370 6.021,371 3.509,372 2.56,373 3.285,375 8.518,376 2.421,377 3.495,378 2.48,379 5.621,380 3.196,381 2.234,382 2.787,384 7.173,385 2.143,386 3.38,387 2.329,388 5.108,389 2.923,390 1.984,391 2.722,393 5.671,394 1.873,395 3.326,396 2.18,397 4.958,398 2.907,399 1.943,400 2.545,402 5.49,403 1.841,404 3.013,405 1.979,406 4.722,407 2.682,408 1.742,409 2.139,411 4.76,412 1.635,413 2.827,414 1.705,415 4.455,416 2.513,417 1.556,418 1.942,420 4.364,421 1.483,422 2.795,423 1.412,424 4.014,425 2.339,426 1.351,427 1.871,428 3.159,429 1.333,430 2.5,431 1.382,432 3.804,433 2.046,434 1.111,435 1.5,436 2.748,437 1.039,438 2.482,439 1.256,440 3.522,441 1.979,442 1.035,443 1.474,445 2.663,446 0.964,447 2.227,448 1.109,449 3.497,450 1.958,451 1,452 1.203,454 2.136,455 0.955,456 2.148,457 1,458 3.269,459 1.952,460 1,461 1.045,463 2.136,464 0.946,465 16.719,466 0.478,467 1.009,468 0.029,469 46.25,470 1.321,471 23,472 0.657,473 23.25,474 0.664,475 35.497,476 1.014,477 36.681,478 0.573,479 37.43,480 1.069,481 8.769,482 0.251,483 8.151,484 0.233,485 0.107,486 0.03,487 0.347,491 1,493 0.689,494 1.198,495 0.759,496 1.077,497 0.59,498 0.956,499 1.045,500 1.008,501 0.806,502 0.835,503 0.614,504 0.791,505 1.029,506 1.081,507 1.032,508 1.008,509 0.863,510 1.015,511 0.665,512 0.832,513 0.941,514 0.911,515 0.57,516 0.946,517 0.528,518 0.958,519 0.923,520 1.062,521 0.497,522 1.051,523 0.647,524 0.927,525 0.897,526 0.983,527 0.558,528 0.976,529 0.772,530 1.088,531 1.058,532 1.136,533 0.732,534 1.135,535 1.124,536 1.117,537 1.102,538 1.095,539 1.397,540 1.095,541 7,542 0.161,543 4.667,544 3.424,545 2.449,546 2.056,547 1.474,548 0.946,549 0.653,550 0.313,551 16417,552 38776,553 2.166,554 45.3,555 9,556 19,558 1,564 1.777,565 2.029,566 3.36,567 -0.822,573 94.237,574 1.472,575 3.469,576 4.777,577 5.308,578 5.308,579 5.308,580 2.812,581 4.729,582 5.099,583 3.498,584 2081.44,585 9.012,586 30272.5,591 384,592 1.527,593 5.059,594 0.175,595 0.006,596 0.078,597 0.053,598 0.038,599 0.031,600 0.021,601 0.014,602 0.012,603 0.007,604 0.434,605 0.5,606 0.75,607 0.504,608 183.272,609 0.01,610 -0.162,611 0.079,612 -0.061,613 -0.032,614 0.002,615 -0.084,616 -0.006,617 0.117,618 0.135,619 0.048,620 0.151,621 -0.069,622 -0.043,623 -0.099,624 -0.038,625 -0.04,626 -0.069,627 0.024,628 0.12,629 -0.003,630 0.056,631 0.044,632 0.031,633 0.018,634 -0.057,635 -0.018,636 -0.063,637 -0.005,638 -0.049,639 0.034,640 -0.017,641 0.04,642 0.005,643 0.031,644 0.019,645 0.023,646 -0.101,647 -0.12,648 -0.153,649 0.057,650 -0.158,651 -0.063,652 -0.057,653 -0.098,654 -0.099,655 -0.073,656 -0.101,657 1.955,658 6.316,659 0.886,660 32.913,661 0.996,662 1.124,663 3.8,664 14.444,665 0.677,666 3.714,667 4.111,668 4.454,669 4.812,670 5.142,671 5.338,672 5.606,673 5.79,674 5.961,675 6.08,676 6.356,677 0.641,678 468.62,679 3.714,680 5.303,681 6.196,682 7.124,683 8.04,684 8.977,685 9.906,686 10.849,687 11.785,688 12.731,689 6.3,695 1,697 1,699 2,703 2,704 10,705 2,709 8,711 23,726 2,730 1,731 64,733 23,734 2,735 40,737 69,738 29,739 20,740 6,741 6,746 6,747 8,752 3,753 1,754 1,761 20,762 9,779 1,781 29,782 6,784 6,790 4,794 0.667,795 1,805 2,811 1,812 5,815 1,816 1,839 1,840 4,844 3,846 1,848 35,854 5,856 1,859 2,860 1,869 1,870 1.6,874 1,877 17.25,878 12.693,879 7.375,880 3.987,881 4.311,882 1.487,883 1.02,884 5.414,885 13.166,886 3.961,887 4.62,888 5.268,889 5.923,890 6.575,891 6.998,892 7.527,893 7.999,894 8.462,895 8.81,896 1,897 65,898 12.997,900 5.693,901 7.583,902 25.372,904 21.87,905 2.083,906 72.917,910 341.362,911 170.304,912 39.82,914 11,915 14.96,917 170.304,918 352.362,919 54.78,920 26.476,921 15.502,922 85.286,923 56.342,924 49.289,925 14.96,926 329.591,928 341.362,929 210.124,930 25.96,933 356.322,935 11,937 61.807,938 114.746,939 33.571,941 356.322,942 50.82,943 170.304,946 341.362,947 49.495,948 127.058,950 59.531,951 341.362,952 65.78,953 170.304,955 0.596,956 0.355,957 0.202,958 0.119,959 33,960 14,961 0.043,962 3,963 2,964 1.129,965 4.324,966 378.376,967 0.129,968 31,969 173.525,974 22.305,975 8.495,976 3.827,977 1.589,978 65.78,979 19.326,980 9.432,984 7.133,987 577.446,988 51.5,999 63.734,1000 71.94,1001 0.245,1002 0.578,1003 0.796,1004 0.885,1005 0.885,1006 0.885,1007 5.246,1008 1.943,1009 6.229,1010 5.671,1011 4.796,1012 5.308,1013 1.481,1014 7.146,1015 4.719,1016 6.483,1017 1.742,1018 7.854,1019 5.49,1020 4.575,1021 5.223,1022 0.57,1023 8.359,1024 4.481,1025 7.826,1026 1.556,1027 9.59,1028 4.76,1029 6.518,1030 7.569,1031 1.104,1032 11.494,1033 6.387,1034 9.207,1035 1.351,1036 11.394,1037 4.364,1038 7.124,1039 8.298,1040 0.479,1041 13.536,1042 6.987,1043 10.623,1044 1.111,1045 13.241,1046 3.159,1047 8.583,1048 10.15,1049 0.854,1050 16.256,1051 8.416,1052 12.064,1053 1.035,1054 15.119,1055 2.748,1056 9.55,1057 11.265,1058 0.346,1059 18.618,1060 9.378,1061 13.524,1062 1,1063 17.02,1064 2.663,1065 10.845,1066 12.914,1067 0.661,1068 21.222,1069 10.651,1070 3.566,1071 1,1072 18.938,1073 2.136,1074 11.968,1075 14.225,1076 0.237,1077 23.712,1078 11.766,1079 3.25,1080 13.444,1081 20.869,1082 2.136,1083 13.214,1084 15.786,1085 0.505,1086 26.288,1087 12.994,1088 2.846,1089 11.816,1090 22.811,1091 4.625,1092 14.405,1093 17.197,1094 0.158,1095 28.829,1096 14.173,1097 2.745,1098 9.477,1099 24.763,1100 4.139,1101 15.642,1102 18.724,1103 0.382,1104 31.403,1105 15.394,1106 2.56,1107 9.172,1108 26.723,1109 3.763,1110 16.863,1111 20.186,1112 0.104,1113 33.967,1114 16.602,1115 2.234,1116 8.518,1117 28.689,1118 3.345,1119 18.103,1120 21.701,1121 0.285,1122 36.544,1123 17.826,1124 1.984,1125 7.173,1126 30.66,1127 3.285,1128 19.34,1129 23.189,1130 0.068,1131 39.12,1132 19.048,1133 15113,1134 23404,1135 27.046,1136 43.313,1137 62.329,1138 62.514,1139 62.98,1140 61.771,1141 61.746,1142 79.192,1143 4.92,1144 190.534,1145 59.195,1146 5.779,1147 5.791,1148 7.305,1149 5.65,1150 5.566,1151 7.625,1152 1.72,1153 21.538,1154 5.502,1155 15.125,1156 1.558,1157 1.563,1158 1.575,1159 1.544,1160 1.544,1161 1.98,1162 0.123,1163 4.763,1164 1.48,1165 4.151,1166 4.181,1167 4.121,1168 4.071,1169 8.201,1170 4.079,1171 3.989,1172 4.02,1173 3.942,1174 3.916,1175 5.01,1176 3.918,1177 3.829,1178 3.868,1179 3.772,1180 3.735,1181 4.808,1182 3.739,1183 3.755,1184 3.811,1185 3.645,1186 3.565,1187 4.744,1188 3.575,1189 3.509,1190 3.553,1191 3.437,1192 3.408,1193 4.588,1194 3.407,1195 3.479,1196 3.534,1197 3.341,1198 3.348,1199 4.233,1200 3.339,1201 3.119,1202 3.206,1203 3.023,1204 2.951,1205 4.198,1206 2.96,1207 3.111,1208 3.196,1209 2.866,1210 2.941,1211 4.003,1212 2.91,1213 0.119,1214 0.095,1215 0.188,1216 0.114,1217 0.089,1218 4.779,1219 0.116,1220 3.791,1221 0.022,1222 7.503,1223 0.336,1224 4.546,1225 0.088,1226 3.566,1227 4.625,1228 0.86,1229 13.444,1230 3.502,1231 2.059,1232 2.037,1233 2.113,1234 2.149,1235 1.292,1236 2.139,1237 1.925,1238 1.897,1239 2.04,1240 2.038,1241 1.283,1242 2.038,1243 1.807,1244 1.772,1245 1.925,1246 1.924,1247 1.194,1248 1.926,1249 1.695,1250 1.639,1251 1.914,1252 1.884,1253 0.975,1254 1.899,1255 1.587,1256 1.537,1257 1.786,1258 1.77,1259 0.955,1260 1.777,1261 1.478,1262 1.432,1263 1.696,1264 1.624,1265 0.825,1266 1.649,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.79,1272 1.429,1273 1.093,1274 1.027,1275 1.417,1276 1.332,1277 0.546,1278 1.353,1279 4.394,1281 5.771,1282 2.398,1283 7.354,1284 4.949,1285 9.03,1286 7.222,1287 10.758,1289 6.683,1291 14.316,1295 4.109,1297 5.571,1300 4.794,1301 -0.036,1305 41.032,1306 94.237,1307 222.031,1308 305.696,1309 339.735,1310 339.735,1311 339.735,1312 53.378,1313 8.855,1314 41.49,1315 41.49,1316 35,1317 13.224,1318 4.585,1319 3.644,1320 46.564,1321 129,1322 153,1323 0.173,1324 244.758,1325 422.32,1326 588.97,1327 91969,1328 1.6,1329 24.156,1330 0.69,1331 0.582,1332 23.286,1333 20.384,1334 16.921,1335 0.423,1336 0.305,1337 12.033,1338 16.341,1339 11.637,1340 9.6,1341 16.527,1342 12.183,1343 16.174,1344 0.27,1345 0.168,1346 15.541,1347 10.081,1348 13.977,1349 0.164,1350 0.085,1351 13.642,1352 7.266,1353 12.479,1354 0.102,1355 0.045,1356 12.215,1357 5.515,1358 10.841,1359 0.064,1360 0.024,1361 10.616,1362 4.009,1363 0.261,1364 105.365,1365 0.192,1366 31.169,1367 0.51,1368 200,1369 538.427,1370 215.646,1371 501.274,1372 704.2,1373 474,1374 245,1375 534.589,1376 261.864,1377 540.323,1378 803.79,1379 510,1380 5.402}
{0 CHEMBL2171924,1 1.684,2 10.789,3 4.52,4 20.434,5 143.599,6 8.164,7 0.523,8 4.306,9 4.401,10 4.071,11 3.923,12 5.345,13 3.889,14 4.888,15 5.035,16 4.387,17 4.334,18 6.051,19 4.304,20 5.153,21 5.333,22 4.463,23 4.51,24 6.204,25 4.45,26 5.219,27 5.423,28 4.513,29 4.592,30 6.194,31 4.503,32 5.301,33 5.496,34 4.578,35 4.667,36 6.326,37 4.577,38 5.366,39 5.574,40 4.617,41 4.704,42 6.368,43 4.614,44 5.381,45 5.578,46 4.662,47 4.714,48 6.431,49 4.623,50 5.441,51 5.658,52 4.644,53 4.697,54 6.512,55 4.585,56 0.086,57 1.041,58 14.056,59 6.63,60 17.647,61 7.459,62 0.393,63 1.769,64 28.232,65 11.182,66 62.182,67 12.967,68 0.625,69 2.26,70 34.873,71 13.937,72 78.536,73 16.87,74 0.512,75 2.456,76 40.352,77 15.925,78 52.85,79 20.463,80 0.518,81 2.52,82 42.184,83 17.823,84 61.165,85 22.702,86 0.541,87 2.72,88 47.405,89 19.151,90 61.859,91 24.406,92 0.602,93 2.851,94 46.161,95 18.876,96 72.183,97 23.663,98 0.745,99 3.073,100 57.068,101 21.763,102 99.885,103 26.044,104 17,105 68,106 0.263,107 0.574,108 0.766,109 0.848,110 0.848,111 0.848,112 3.669,113 0.997,114 -4.17,115 -4.11,116 -3.89,119 44.6,120 1,123 1,125 7,142 9,143 3,144 4,145 1,146 3,172 8,174 1,175 12,183 9,186 2,187 11,195 7,198 2,199 9,207 11,211 3,212 9,220 14,224 12,232 14,236 1,237 13,245 11,249 3,250 9,258 8,262 3,263 8,271 6,275 2798,276 25.747,277 25.747,278 25.747,279 25.747,280 25.747,281 22.744,282 26.948,283 14.755,284 26.489,285 21.793,286 21.793,287 21.793,288 21.793,289 21.793,290 17.135,291 37.278,292 7.082,293 23.061,294 4.339,295 2.35,296 1.12,297 0.596,298 0.596,299 0.596,300 4.391,305 1,306 927,307 3.464,309 64.391,310 70.355,311 468.299,314 131.349,315 149.418,318 1.443,319 47.381,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 82.5,331 410,332 4.975,333 5.224,334 7.879,335 4.721,336 3.77,337 4.634,338 2.95,339 15.161,340 3.606,341 4.709,342 3.711,343 7.049,344 4.278,345 3.316,346 4.576,347 0.86,348 12.117,349 3.203,350 4.444,351 3.337,352 6.652,353 3.953,354 3.027,355 4.082,356 0.8,357 10.625,358 2.782,359 4.136,360 3.105,361 6.296,362 3.727,363 2.79,364 3.763,365 0.8,366 9.373,367 2.668,368 4.001,369 2.923,370 6.181,371 3.699,372 2.734,373 3.34,375 9.145,376 2.546,377 3.843,378 2.785,379 6.02,380 3.455,381 2.507,382 3.261,384 8.486,385 2.358,386 3.479,387 2.467,388 5.644,389 3.152,390 2.194,391 2.784,393 7.197,394 2.092,395 3.38,396 2.328,397 5.126,398 2.922,399 1.983,400 2.72,402 5.674,403 1.872,404 3.322,405 2.257,406 4.958,407 2.906,408 1.942,409 2.532,411 5.492,412 1.84,413 3.013,414 2.176,415 4.726,416 2.68,417 1.739,418 2.139,420 4.761,421 1.633,422 2.829,423 1.974,424 4.465,425 2.51,426 1.554,427 1.942,428 4.377,429 1.48,430 2.795,431 1.705,432 4.039,433 2.339,434 1.351,435 1.872,436 3.161,437 1.333,438 2.5,439 1.41,440 4,441 2.046,442 1.111,443 1.5,445 2.765,446 1.039,447 2.483,448 1.382,449 3.856,450 1.979,451 1.035,452 1.475,454 2.666,455 0.964,456 2.228,457 1.256,458 3.546,459 1.958,460 1,461 1.204,463 2.136,464 0.955,465 18.219,466 0.479,467 1.181,468 0.031,469 51.75,470 1.362,471 26,472 0.684,473 25.75,474 0.678,475 37.367,476 0.983,477 39.981,478 0.615,479 44.045,480 1.159,481 9.626,482 0.253,483 8.709,484 0.229,485 0.08,486 0.073,487 0.318,491 1,493 0.565,494 1.175,495 0.752,496 1.126,497 0.567,498 0.912,499 0.905,500 1.059,501 0.979,502 0.993,503 0.573,504 0.864,505 1.086,506 0.984,507 0.912,508 0.837,509 1.005,510 0.962,511 0.587,512 0.89,513 0.907,514 0.956,515 0.483,516 0.985,517 0.613,518 0.91,519 0.842,520 0.957,521 0.659,522 1.013,523 0.663,524 0.918,525 0.852,526 0.949,527 0.584,528 0.968,529 0.781,530 1.045,531 0.898,532 1.013,533 0.77,534 1.067,535 0.986,536 1.147,537 1.106,538 1.142,539 1.041,540 1.087,541 9,542 0.338,543 4.667,544 4.361,545 2.778,546 2.459,547 1.615,548 1.156,549 0.878,550 0.537,551 20649,552 56906,553 2.192,554 41.5,555 3,556 23,558 1,564 1.799,565 2.054,566 3.363,567 -0.758,573 109.436,574 1.684,575 3.672,576 4.902,577 5.426,578 5.426,579 5.426,580 2.793,581 4.807,582 5.217,583 3.521,584 2474.95,585 9.261,586 38292.5,591 391.454,592 1.578,593 5.175,594 0.205,595 0.008,596 0.071,597 0.063,598 0.039,599 0.032,600 0.02,601 0.015,602 0.012,603 0.009,604 0.474,605 0.5,606 0.75,607 0.48,608 203.725,609 0.047,610 -0.142,611 0.176,612 -0.056,613 -0.071,614 0.02,615 -0.036,616 -0.06,617 -0.056,618 -0.01,619 0.127,620 0.057,621 -0.154,622 0.013,623 -0.113,624 0.045,625 -0.131,626 -0.041,627 0.02,628 0.076,629 -0.019,630 -0.003,631 0.025,632 -0.008,633 0.031,634 -0.02,635 0.003,636 -0.017,637 -0.01,638 -0.027,639 0.01,640 -0.013,641 0.035,642 0.007,643 0.025,644 0.028,645 -0.003,646 -0.074,647 -0.015,648 -0.064,650 -0.093,651 -0.009,652 -0.059,653 -0.03,654 -0.09,655 -0.008,656 -0.079,657 4.004,658 6.399,659 0.895,660 38.54,661 1.009,662 1.121,663 2.94,664 8.645,665 0.694,666 3.807,667 4.234,668 4.585,669 4.977,670 5.293,671 5.537,672 5.841,673 6.075,674 6.284,675 6.415,676 6.584,677 0.663,678 530.67,679 3.807,680 5.416,681 6.319,682 7.27,683 8.197,684 9.161,685 10.101,686 11.072,687 12.021,688 12.997,689 6.2,695 1,697 1,699 2,703 2,704 10,705 2,709 8,711 23,726 2,730 1,731 65,733 25,734 2,735 44,737 71,738 29,739 20,740 6,741 6,746 7,747 9,752 1,753 1,754 1,761 20,762 9,766 2,769 1,771 2,779 1,781 27,782 8,784 9,785 1,790 4,794 0.571,795 3,805 2,810 1,811 1,812 5,815 1,816 1,839 1,840 4,842 1,844 1,846 1,848 38,851 1,854 7,856 1,859 2,860 1,864 1,869 1,870 4.6,873 2,874 1,877 18.5,878 12.193,879 7.875,880 3.959,881 4.378,882 1.479,883 1.05,884 5.439,885 13.519,886 4.069,887 4.758,888 5.347,889 6.015,890 6.65,891 7.095,892 7.642,893 8.147,894 8.624,895 8.972,896 1,897 69,898 14.349,900 6.71,901 7.785,902 27.391,904 24.561,905 2.285,906 86.833,910 317.82,911 160.499,912 39.82,914 55.313,915 14.96,916 6.046,917 154.453,918 373.133,919 54.78,920 8.825,921 17.301,922 91.332,923 100.655,924 49.289,925 14.96,926 306.049,928 317.82,929 194.273,930 70.273,931 6.046,933 332.78,934 44.313,935 11,937 45.956,938 114.746,939 39.617,941 332.78,942 95.133,943 160.499,945 6.046,946 317.82,947 51.294,948 109.407,950 103.844,951 317.82,952 110.093,953 160.499,955 0.601,956 0.353,957 0.206,958 0.119,959 39,960 16,961 0.042,962 3,963 2,964 1.147,965 4.56,966 434.67,967 0.118,968 35,969 189.421,973 1,974 23.876,975 8.656,976 3.886,977 1.366,978 110.093,979 18.454,980 9.36,984 6.007,987 588.411,988 57.5,991 -3.087,993 24.941,999 65.581,1000 72.864,1001 0.28,1002 0.61,1003 0.814,1004 0.901,1005 0.901,1006 0.901,1007 5.374,1008 1.983,1009 6.375,1010 7.197,1011 4.92,1012 5.447,1013 3.082,1014 7.332,1015 4.816,1016 6.635,1017 1.942,1018 8.022,1019 5.674,1020 4.796,1021 5.551,1022 0.57,1023 8.682,1024 4.631,1025 8.014,1026 1.739,1027 9.782,1028 5.492,1029 6.711,1030 7.783,1031 5.04,1032 11.838,1033 6.507,1034 9.43,1035 1.554,1036 11.612,1037 4.761,1038 7.403,1039 8.675,1040 0.479,1041 14.025,1042 7.146,1043 10.882,1044 1.351,1045 13.489,1046 4.377,1047 8.861,1048 10.451,1049 7.186,1050 16.807,1051 8.566,1052 12.359,1053 1.111,1054 15.398,1055 3.161,1056 9.9,1057 11.679,1058 0.346,1059 19.315,1060 9.56,1061 13.855,1062 1.035,1063 17.333,1064 2.765,1065 11.218,1066 13.291,1067 9.348,1068 22.014,1069 10.84,1070 3.77,1071 1,1072 19.287,1073 2.666,1074 12.405,1075 14.672,1076 0.237,1077 24.644,1078 11.984,1079 3.316,1080 15.161,1081 21.256,1082 2.136,1083 13.69,1084 16.221,1085 11.511,1086 27.336,1087 13.23,1088 3.027,1089 12.117,1090 23.239,1091 4.634,1092 14.94,1093 17.673,1094 0.158,1095 30.013,1096 14.439,1097 2.79,1098 10.625,1099 25.233,1100 4.576,1101 16.226,1102 19.2,1103 13.675,1104 32.711,1105 15.684,1106 2.734,1107 9.373,1108 27.237,1109 4.082,1110 17.505,1111 20.686,1112 0.104,1113 35.409,1114 16.921,1115 2.507,1116 9.145,1117 29.249,1118 3.763,1119 18.799,1120 22.205,1121 15.838,1122 38.114,1123 18.174,1124 2.194,1125 8.486,1126 31.268,1127 3.34,1128 20.094,1129 23.708,1130 0.068,1131 40.821,1132 19.426,1133 18780,1134 31348,1135 29.819,1136 45.108,1137 68.462,1138 71.98,1139 70.283,1140 68.189,1141 68.016,1142 88.168,1143 10.82,1144 215.664,1145 64.465,1146 5.975,1147 7.224,1148 7.681,1149 5.883,1150 5.77,1151 7.634,1152 5.9,1153 23.431,1154 5.606,1155 16.35,1156 1.556,1157 1.636,1158 1.597,1159 1.55,1160 1.546,1161 2.004,1162 0.246,1163 4.901,1164 1.465,1165 4.218,1166 4.224,1167 4.778,1168 4.201,1169 8.201,1170 4.135,1171 4.075,1172 4.082,1173 4.105,1174 4.022,1175 7.714,1176 4.002,1177 3.893,1178 3.912,1179 3.909,1180 3.816,1181 6.999,1182 3.781,1183 3.829,1184 3.867,1185 3.772,1186 3.735,1187 5.009,1188 3.739,1189 3.689,1190 3.72,1191 3.615,1192 3.503,1193 4.804,1194 3.508,1195 3.509,1196 3.553,1197 3.436,1198 3.406,1199 4.739,1200 3.405,1201 3.271,1202 3.317,1203 3.219,1204 3.12,1205 4.583,1206 3.106,1207 3.111,1208 3.206,1209 2.957,1210 2.941,1211 4.231,1212 2.91,1213 0.113,1214 0.119,1215 0.179,1216 0.107,1217 0.086,1218 4.975,1219 0.105,1220 5.224,1221 0.067,1222 7.879,1223 0.345,1224 4.721,1225 0.082,1226 3.77,1227 4.634,1228 2.95,1229 15.161,1230 3.606,1231 2.059,1232 2.052,1233 2.113,1234 2.149,1235 1.565,1236 2.149,1237 2.036,1238 2.037,1239 2.043,1240 2.091,1241 1.284,1242 2.138,1243 1.843,1244 1.821,1245 1.926,1246 1.991,1247 1.224,1248 1.999,1249 1.805,1250 1.771,1251 1.917,1252 1.923,1253 1.001,1254 1.925,1255 1.613,1256 1.565,1257 1.788,1258 1.8,1259 0.956,1260 1.806,1261 1.503,1262 1.466,1263 1.697,1264 1.643,1265 0.825,1266 1.664,1267 1.212,1268 1.171,1269 1.513,1270 1.429,1271 0.804,1272 1.455,1273 1.153,1274 1.064,1275 1.383,1276 1.376,1277 0.695,1278 1.429,1279 4.489,1281 5.911,1282 2.398,1283 7.541,1284 4.949,1285 9.265,1286 7.273,1287 11.041,1289 2.017,1291 14.399,1295 3.755,1297 5.553,1300 4.536,1301 -0.467,1305 43.122,1306 109.436,1307 238.709,1308 318.66,1309 352.699,1310 352.699,1311 352.699,1312 73.109,1313 9.142,1314 75.63,1315 84.01,1316 39,1317 13.475,1318 4.7,1319 3.858,1320 48.024,1321 144,1322 170,1323 0.158,1324 256.488,1325 446.05,1326 617.591,1327 122581,1328 1.5,1329 26.07,1330 0.686,1331 0.575,1332 25.45,1333 21.84,1334 18.335,1335 0.417,1336 0.332,1337 12.784,1338 16.914,1339 12.322,1340 10.037,1341 18.795,1342 14.622,1343 18.066,1344 0.266,1345 0.185,1346 18.691,1347 12.575,1348 15.302,1349 0.158,1350 0.103,1351 15.797,1352 9.993,1353 14.267,1354 0.099,1355 0.056,1356 15.071,1357 8.132,1358 12.032,1359 0.061,1360 0.028,1361 12.568,1362 5.596,1363 0.238,1364 123.386,1365 0.183,1366 33.235,1367 0.469,1368 224,1369 658.759,1370 276.606,1371 630.702,1372 865.12,1373 588,1374 277,1375 619.971,1376 342.376,1377 653.405,1378 967.87,1379 614,1380 4.903}
{0 CHEMBL2171926,1 1.385,2 10.714,3 6.724,4 45.216,5 136.014,6 7.676,7 0.725,8 4.196,9 4.309,10 3.811,11 3.839,12 5.31,13 3.808,14 4.722,15 4.883,16 4.221,17 4.259,18 5.785,19 4.221,20 4.987,21 5.16,22 4.338,23 4.448,24 6.034,25 4.384,26 5.151,27 5.374,28 4.333,29 4.509,30 6.113,31 4.42,32 5.154,33 5.353,34 4.371,35 4.577,36 6.104,37 4.482,38 5.262,39 5.484,40 4.422,41 4.631,42 6.193,43 4.529,44 5.273,45 5.483,46 4.413,47 4.634,48 6.287,49 4.527,50 5.331,51 5.58,52 4.269,53 4.56,54 6.335,55 4.431,56 0.021,57 0.895,58 10.966,59 5.319,60 8.316,61 6.864,62 0.103,63 1.515,64 20.828,65 9.004,66 21.109,67 11.844,68 0.19,69 1.992,70 27.97,71 11.966,72 30.616,73 15.57,74 0.385,75 2.277,76 36.415,77 14.226,78 44.385,79 19.344,80 0.201,81 2.215,82 34.463,83 14.983,84 29.182,85 20.277,86 0.294,87 2.474,88 40.415,89 17.012,90 36.799,91 23.332,92 0.298,93 2.569,94 40.027,95 17.189,96 47.709,97 23.129,98 0.399,99 2.761,100 46.916,101 18.961,102 80.445,103 24.975,104 17,105 60,106 0.219,107 0.543,108 0.728,109 0.836,110 0.851,111 0.851,112 3.59,113 0.882,114 -5.8,115 -5.66,116 -5.27,119 50,120 3,123 1,125 1,142 11,143 5,144 3,145 3,146 3,172 15,175 12,183 18,186 1,187 12,195 15,198 1,199 8,207 19,211 1,212 8,220 25,224 6,232 26,236 1,237 10,245 27,250 7,258 17,263 8,271 14,275 2203,276 23.747,277 23.747,278 23.747,279 23.747,280 23.747,281 20.37,282 15.881,283 13.74,284 24.077,285 19.785,286 19.785,287 19.785,288 19.785,289 19.785,290 14.748,291 20.356,292 6.574,293 20.356,294 4.522,295 2.482,296 1.31,297 0.63,298 0.538,299 0.538,300 4.306,305 1,306 839,307 3,310 64.081,311 426.813,314 118.83,315 137.026,318 1.494,319 25.292,322 0.75,323 0.5,324 1,325 0.6,326 0.5,327 1,328 1,329 0.76,330 73.5,331 375,332 4.779,333 3.79,334 7.503,335 4.547,336 3.566,337 4.625,338 0.8,339 13.444,340 3.504,341 4.594,342 3.361,343 6.996,344 4.231,345 3.25,346 4.17,348 11.816,349 3.184,350 4.176,351 2.927,352 6.318,353 3.843,354 2.846,355 3.763,357 9.477,358 2.839,359 4.136,360 2.872,361 6.189,362 3.718,363 2.745,364 3.679,366 9.172,367 2.671,368 3.858,369 2.772,370 6.021,371 3.514,372 2.56,373 3.31,375 8.518,376 2.436,377 3.584,378 2.45,379 5.621,380 3.208,381 2.234,382 2.902,384 7.173,385 2.175,386 3.388,387 2.209,388 5.108,389 2.926,390 1.984,391 2.777,393 5.671,394 1.881,395 3.379,396 2.026,397 4.958,398 2.913,399 1.943,400 2.715,402 5.49,403 1.849,404 3.173,405 1.767,406 4.722,407 2.706,408 1.742,409 2.414,411 4.76,412 1.676,413 2.921,414 1.638,415 4.455,416 2.526,417 1.556,418 2.064,420 4.364,421 1.506,422 2.802,423 1.383,424 4.014,425 2.339,426 1.351,427 1.934,428 3.159,429 1.333,430 2.574,431 1.149,432 3.804,433 2.077,434 1.111,435 1.607,436 2.748,437 1.07,438 2.5,439 1.075,440 3.522,441 2.016,442 1.035,443 1.5,445 2.663,446 1.013,447 2.5,448 1,449 3.497,450 1.984,451 1,452 1.5,454 2.136,455 0.983,456 2.475,457 1,458 3.269,459 1.958,460 1,461 1.465,463 2.136,464 0.956,465 16.886,466 0.482,467 1.009,468 0.029,469 51,470 1.457,471 28.5,472 0.814,473 22.5,474 0.643,475 31.848,476 0.91,477 34.714,478 0.579,479 41.08,480 1.174,481 9.74,482 0.278,483 7.181,484 0.205,485 0.106,486 0.03,487 0.349,491 1,493 0.605,494 1.053,495 0.719,496 0.949,497 0.58,498 0.868,499 0.768,500 0.971,501 0.725,502 0.835,503 0.559,504 0.781,505 0.964,506 1.109,507 1.004,508 1.07,509 0.866,510 1.046,511 0.823,512 0.809,513 0.961,514 0.876,515 0.601,516 0.915,517 0.6,518 0.922,519 0.974,520 1.049,521 0.52,522 1.055,523 0.593,524 0.882,525 0.9,526 0.979,527 0.558,528 0.977,529 0.738,530 1.039,531 1.04,532 1.147,533 0.739,534 1.138,535 1.312,536 1.09,537 1.108,538 1.059,539 1.481,540 1.064,541 7,542 0.161,543 4.667,544 3.424,545 2.449,546 2.056,547 1.474,548 0.946,549 0.653,550 0.313,551 16417,552 40455,553 2.166,554 41.7,555 9,556 13,558 3,564 1.777,565 2.029,566 3.36,567 -0.85,573 83.11,574 1.385,575 3.425,576 4.597,577 5.277,578 5.369,579 5.369,580 2.812,581 4.729,582 5.099,583 3.498,584 2081.44,585 9.012,586 30272.5,591 354.413,592 1.527,593 5.059,594 0.175,595 0.006,596 0.078,597 0.053,598 0.038,599 0.031,600 0.021,601 0.014,602 0.012,603 0.007,604 0.434,605 0.5,606 0.63,607 0.504,608 183.272,609 0.012,610 -0.101,611 0.065,612 -0.02,613 -0.044,614 0.018,615 -0.009,616 -0.01,617 0.138,618 0.099,619 0.069,620 0.131,621 -0.054,622 -0.107,623 -0.112,624 -0.129,625 -0.047,626 -0.129,627 0.002,628 0.124,629 -0.006,630 0.076,631 0.035,632 0.045,633 -0.005,634 -0.049,635 -0.072,636 -0.082,637 -0.021,638 -0.085,639 0.067,640 -0.006,641 0.043,642 0.003,643 0.034,644 0.016,645 0.063,646 -0.106,647 -0.101,648 -0.166,649 0.057,650 -0.158,651 -0.089,652 -0.039,653 -0.069,654 -0.041,655 -0.1,656 -0.05,657 1.964,658 6.309,659 0.886,660 32.913,661 0.994,662 1.115,663 4.57,664 20.881,665 0.706,666 3.714,667 4.111,668 4.454,669 4.812,670 5.142,671 5.338,672 5.606,673 5.79,674 5.961,675 6.08,676 6.356,677 0.671,678 460.59,679 3.714,680 5.303,681 6.196,682 7.124,683 8.04,684 8.977,685 9.906,686 10.849,687 11.785,688 12.731,689 6.7,697 1,699 3,703 2,704 14,705 3,709 9,711 29,726 1,730 1,731 60,733 29,734 2,735 40,737 65,738 30,739 25,740 6,741 6,746 6,747 8,752 3,753 1,754 1,761 25,762 5,779 1,781 25,782 5,784 5,790 4,794 0.667,805 3,811 1,812 5,815 1,816 1,840 4,844 3,846 1,848 35,854 1,859 1,860 1,869 1,877 17.25,878 12.11,879 7.375,880 3.655,881 5.204,882 1.588,883 1.037,884 4.984,885 14.059,886 4.016,887 4.7,888 5.365,889 6.027,890 6.683,891 7.088,892 7.64,893 8.125,894 8.6,895 8.975,896 1,897 65,898 12.943,900 5.672,901 7.617,902 25.045,904 21.474,905 2.117,906 74.083,910 294.278,911 197.57,912 53.481,915 14.96,917 197.57,918 294.278,919 68.441,920 26.476,921 2.106,922 104.239,923 85.67,924 67.874,925 14.96,926 258.964,928 294.278,929 251.051,930 14.96,933 309.238,937 66.506,938 134.188,939 50.357,941 309.238,942 53.481,943 197.57,946 294.278,947 39.713,948 160.981,950 65.317,951 294.278,952 68.441,953 197.57,955 0.596,956 0.355,957 0.202,958 0.119,959 33,960 14,961 0.046,962 3,963 2,964 1.129,965 4.324,966 378.376,967 0.129,968 31,969 173.525,974 21.588,975 8.08,976 3.603,977 1.56,978 68.441,979 26.815,980 13.578,984 8.055,987 560.288,988 54.5,999 59.64,1000 66.9,1001 0.235,1002 0.58,1003 0.778,1004 0.893,1005 0.909,1006 0.909,1007 5.284,1008 1.943,1009 6.229,1010 5.671,1011 4.796,1012 5.389,1013 0.673,1014 7.146,1015 4.742,1016 6.535,1017 1.742,1018 7.854,1019 5.49,1020 4.575,1021 5.263,1022 0.325,1023 8.359,1024 4.506,1025 7.879,1026 1.556,1027 9.59,1028 4.76,1029 6.518,1030 7.67,1031 0.379,1032 11.494,1033 6.425,1034 9.261,1035 1.351,1036 11.394,1037 4.364,1038 7.124,1039 8.353,1040 0.268,1041 13.536,1042 7.022,1043 10.676,1044 1.111,1045 13.241,1046 3.159,1047 8.583,1048 10.246,1049 0.239,1050 16.256,1051 8.46,1052 12.115,1053 1.035,1054 15.119,1055 2.748,1056 9.55,1057 11.326,1058 0.188,1059 18.618,1060 9.416,1061 13.574,1062 1,1063 17.02,1064 2.663,1065 10.845,1066 12.996,1067 0.156,1068 21.222,1069 10.692,1070 3.566,1071 1,1072 18.938,1073 2.136,1074 11.968,1075 14.284,1076 0.125,1077 23.712,1078 11.802,1079 3.25,1080 13.444,1081 20.869,1082 2.136,1083 13.214,1084 15.854,1085 0.102,1086 26.288,1087 13.03,1088 2.846,1089 11.816,1090 22.811,1091 4.625,1092 14.405,1093 17.249,1094 0.082,1095 28.829,1096 14.206,1097 2.745,1098 9.477,1099 24.763,1100 4.17,1101 15.642,1102 18.779,1103 0.066,1104 31.403,1105 15.425,1106 2.56,1107 9.172,1108 26.723,1109 3.763,1110 16.863,1111 20.23,1112 0.054,1113 33.967,1114 16.63,1115 2.234,1116 8.518,1117 28.689,1118 3.679,1119 18.103,1120 21.745,1121 0.043,1122 36.544,1123 17.852,1124 1.984,1125 7.173,1126 30.66,1127 3.31,1128 19.34,1129 23.227,1130 0.035,1131 39.12,1132 19.072,1133 15113,1134 23897,1135 27.046,1136 42.336,1137 62.595,1138 62.254,1139 62.98,1140 61.774,1141 61.746,1142 83.368,1143 1.6,1144 190.534,1145 59.977,1146 5.665,1147 5.79,1148 7.305,1149 5.592,1150 5.566,1151 7.625,1152 1.2,1153 21.538,1154 5.504,1155 15.125,1156 1.565,1157 1.556,1158 1.575,1159 1.544,1160 1.544,1161 2.084,1162 0.04,1163 4.763,1164 1.499,1165 4.154,1166 4.183,1167 4.124,1168 4.079,1169 8.201,1170 4.086,1171 4.003,1172 4.029,1173 3.962,1174 3.944,1175 5.014,1176 3.945,1177 3.833,1178 3.874,1179 3.775,1180 3.737,1181 4.921,1182 3.741,1183 3.811,1184 3.852,1185 3.748,1186 3.716,1187 4.795,1188 3.718,1189 3.51,1190 3.553,1191 3.44,1192 3.411,1193 4.681,1194 3.41,1195 3.476,1196 3.534,1197 3.35,1198 3.365,1199 4.232,1200 3.353,1201 3.118,1202 3.195,1203 3.023,1204 2.951,1205 4.191,1206 2.96,1207 3.027,1208 3.115,1209 2.852,1210 2.839,1211 4.003,1212 2.829,1213 0.119,1214 0.095,1215 0.188,1216 0.114,1217 0.089,1218 4.779,1219 0.116,1220 3.79,1221 0.02,1222 7.503,1223 0.336,1224 4.547,1225 0.088,1226 3.566,1227 4.625,1228 0.8,1229 13.444,1230 3.504,1231 2.06,1232 2.038,1233 2.114,1234 2.149,1235 1.29,1236 2.14,1237 1.969,1238 1.948,1239 2.062,1240 2.041,1241 1.277,1242 2.049,1243 1.807,1244 1.772,1245 1.929,1246 1.924,1247 1.096,1248 1.926,1249 1.757,1250 1.717,1251 1.919,1252 1.88,1253 0.956,1254 1.898,1255 1.604,1256 1.553,1257 1.766,1258 1.763,1259 0.851,1260 1.767,1261 1.478,1262 1.433,1263 1.694,1264 1.622,1265 0.779,1266 1.647,1267 1.092,1268 1.026,1269 1.417,1270 1.327,1271 0.537,1272 1.35,1273 1.02,1274 0.941,1275 1.381,1276 1.242,1277 0.469,1278 1.308,1279 4.394,1281 5.771,1282 2.398,1283 7.354,1284 4.949,1285 9.03,1286 7.222,1287 10.758,1289 6.638,1291 14.309,1295 0.807,1300 2.379,1301 -0.056,1305 40.264,1306 83.11,1307 205.493,1308 275.83,1309 316.639,1310 322.149,1311 322.149,1312 52.259,1313 8.855,1314 41.91,1315 41.91,1316 35,1317 13.224,1318 4.907,1319 3.954,1320 46.564,1321 129,1322 153,1323 0.173,1324 241.572,1325 412.01,1326 581.196,1327 91969,1328 1.7,1329 24.156,1330 0.69,1331 0.57,1332 23.286,1333 19.957,1334 16.921,1335 0.423,1336 0.294,1337 11.661,1338 16.51,1339 11.241,1340 9.347,1341 16.527,1342 11.76,1343 16.174,1344 0.27,1345 0.162,1346 15.541,1347 9.748,1348 13.977,1349 0.164,1350 0.081,1351 13.642,1352 6.92,1353 12.479,1354 0.102,1355 0.043,1356 12.215,1357 5.232,1358 10.841,1359 0.064,1360 0.022,1361 10.616,1362 3.809,1363 0.261,1364 104.29,1365 0.192,1366 31.169,1367 0.51,1368 200,1369 526.692,1370 211.741,1371 503.262,1372 710.95,1373 474,1374 245,1375 546.249,1376 257.596,1377 557.593,1378 823.86,1379 526,1380 5.635}
{0 CHEMBL2171927,1 1.464,2 10.806,3 6.299,4 39.679,5 139.109,6 7.813,7 0.707,8 4.223,9 4.343,10 3.844,11 3.83,12 5.369,13 3.811,14 4.74,15 4.905,16 4.265,17 4.249,18 5.86,19 4.222,20 4.998,21 5.173,22 4.374,23 4.437,24 6.083,25 4.386,26 5.159,27 5.382,28 4.368,29 4.505,30 6.155,31 4.428,32 5.166,33 5.364,34 4.405,35 4.582,36 6.148,37 4.494,38 5.282,39 5.503,40 4.458,41 4.637,42 6.243,43 4.542,44 5.304,45 5.521,46 4.451,47 4.63,48 6.339,49 4.531,50 5.343,51 5.596,52 4.324,53 4.54,54 6.376,55 4.431,56 0.021,57 0.989,58 11.046,59 5.182,60 10.358,61 6.601,62 0.154,63 1.631,64 20.91,65 8.959,66 27.86,67 11.749,68 0.196,69 2.095,70 27.734,71 11.444,72 35.124,73 14.792,74 0.406,75 2.33,76 36.26,77 13.66,78 48.747,79 18.587,80 0.215,81 2.314,82 34.185,83 14.804,84 32.658,85 19.927,86 0.281,87 2.57,88 40.743,89 16.908,90 43.364,91 23.213,92 0.319,93 2.697,94 41.319,95 17.185,96 53.57,97 23.214,98 0.469,99 2.814,100 47.683,101 17.812,102 89.081,103 23.565,104 26,105 62,106 0.231,107 0.582,108 0.772,109 0.864,110 0.869,111 0.869,112 3.617,113 0.866,114 -5.27,115 -5.15,116 -4.82,119 47.5,120 3,123 1,125 1,142 10,143 4,144 3,145 2,146 4,150 1,163 1,164 1,165 1,172 12,174 1,175 13,177 2,178 2,183 14,186 1,187 13,195 12,198 1,199 8,204 2,207 17,209 2,211 2,212 8,217 2,220 23,222 2,224 7,229 1,232 21,234 1,236 1,237 14,239 1,240 1,242 1,245 21,247 1,250 8,255 1,258 13,260 1,262 1,263 8,268 4,271 11,273 4,275 2362,276 24.195,277 24.195,278 24.195,279 24.195,280 24.195,281 20.793,282 19.044,283 13.863,284 24.614,285 20.268,286 20.268,287 20.268,288 20.268,289 20.268,290 15.159,291 22.856,292 6.63,293 21.004,294 4.467,295 2.247,296 1.041,297 0.463,298 0.431,299 0.431,300 4.331,305 1,306 866,307 3.082,310 66.991,311 442.535,314 123.582,315 142.11,318 1.539,319 30.598,322 1,323 0.67,324 1,325 0.6,326 0.5,327 1,328 1,329 0.82,330 76.5,331 389,332 4.78,333 3.79,334 7.503,335 4.547,336 3.566,337 4.625,338 0.8,339 13.444,340 3.504,341 4.594,342 3.361,343 6.996,344 4.231,345 3.25,346 4.176,348 11.816,349 3.184,350 4.224,351 2.929,352 6.319,353 3.856,354 2.881,355 3.77,357 9.491,358 2.813,359 4.136,360 2.903,361 6.203,362 3.719,363 2.746,364 3.762,366 9.234,367 2.671,368 3.86,369 2.789,370 6.03,371 3.52,372 2.569,373 3.312,375 8.548,376 2.438,377 3.719,378 2.482,379 5.627,380 3.282,381 2.334,382 3.108,384 7.219,385 2.213,386 3.455,387 2.34,388 5.117,389 3.069,390 2.126,391 2.786,393 6.033,394 1.997,395 3.38,396 2.17,397 5.025,398 2.92,399 1.965,400 2.722,402 5.643,403 1.864,404 3.297,405 1.95,406 4.958,407 2.852,408 1.891,409 2.554,411 5.463,412 1.804,413 2.98,414 1.695,415 4.722,416 2.573,417 1.604,418 2.153,420 4.74,421 1.551,422 2.808,423 1.395,424 4.243,425 2.34,426 1.353,427 1.943,428 3.719,429 1.334,430 2.773,431 1.382,432 4.01,433 2.325,434 1.346,435 1.881,436 3.159,437 1.315,438 2.558,439 1.129,440 3.803,441 2.045,442 1.087,443 1.584,445 2.747,446 1.041,447 2.5,448 1.064,449 3.505,450 1.997,451 1.033,452 1.5,454 2.515,455 0.992,456 2.476,457 1,458 3.473,459 1.958,460 1,461 1.465,463 2.136,464 0.956,465 17.186,466 0.477,467 1.115,468 0.031,469 52.75,470 1.465,471 29,472 0.806,473 23.75,474 0.66,475 32.882,476 0.913,477 36.214,478 0.594,479 43.604,480 1.211,481 10.041,482 0.279,483 7.273,484 0.202,485 0.127,486 0.029,487 0.372,491 1,493 0.702,494 1.091,495 0.723,496 0.945,497 0.697,498 0.855,499 0.666,500 0.943,501 0.671,502 0.838,503 0.496,504 0.77,505 1.003,506 1.126,507 1,508 1.066,509 0.863,510 1.037,511 0.845,512 0.819,513 0.966,514 0.88,515 0.621,516 0.92,517 0.589,518 0.913,519 0.974,520 1.077,521 0.525,522 1.082,523 0.583,524 0.916,525 0.898,526 1.027,527 0.578,528 1.014,529 0.716,530 1.037,531 1.01,532 1.156,533 0.723,534 1.137,535 1.343,536 1.082,537 1.096,538 1.019,539 1.436,540 1.025,541 8,542 0.21,543 4.889,544 3.611,545 2.721,546 2.112,547 1.494,548 0.996,549 0.733,550 0.353,551 17632,552 45984,553 2.144,554 41,555 9,556 12,558 2,559 2,564 1.784,565 1.991,566 3.389,567 0.121,573 89.287,574 1.464,575 3.684,576 4.89,577 5.467,578 5.5,579 5.5,580 2.841,581 4.837,582 5.14,583 3.542,584 2231.56,585 9.092,586 33158,591 361.775,592 1.581,593 5.092,594 0.195,595 0.007,596 0.079,597 0.054,598 0.041,599 0.031,600 0.021,601 0.014,602 0.012,603 0.008,604 0.461,605 0.33,606 0.75,607 0.539,608 190.459,609 -0.037,610 -0.085,611 0.051,612 0.003,613 -0.098,614 0.033,615 0.095,616 0.042,617 0.183,618 0.115,619 0.138,620 0.151,621 -0.093,622 -0.1,623 -0.119,624 -0.114,625 -0.058,626 -0.119,627 -0.031,628 0.115,629 -0.021,630 0.081,631 0.021,632 0.045,633 0.004,634 -0.028,635 -0.087,636 -0.089,637 -0.018,638 -0.1,639 0.062,640 -0.042,641 0.036,642 -0.025,643 0.021,644 -0.004,645 0.074,646 -0.106,647 -0.067,648 -0.158,649 0.051,650 -0.141,651 -0.121,652 -0.035,653 -0.05,654 -0.008,655 -0.115,656 -0.015,657 1.984,658 6.324,659 0.861,660 34.79,661 0.999,662 1.123,663 4.036,664 16.293,665 0.698,666 3.738,667 4.143,668 4.477,669 4.836,670 5.165,671 5.361,672 5.624,673 5.814,674 5.999,675 6.118,676 6.528,677 0.669,678 476.6,679 3.738,680 5.333,681 6.225,682 7.154,683 8.069,684 9.006,685 9.933,686 10.876,687 11.811,688 12.756,689 9.8,693 1,697 1,699 4,703 2,704 12,705 4,709 10,711 29,722 1,726 1,730 1,731 61,733 29,734 2,735 41,737 66,738 29,739 24,740 6,741 6,746 6,747 8,752 3,753 1,754 1,761 24,762 5,779 1,781 25,782 7,783 2,784 7,790 6,794 0.667,805 2,806 1,811 1,812 5,815 1,816 1,840 4,844 3,846 1,848 36,849 1,854 1,859 1,860 1,869 1,877 18.083,878 12.226,879 7.542,880 3.627,881 5.251,882 1.587,883 1.038,884 5.154,885 14.195,886 4.034,887 4.727,888 5.386,889 6.049,890 6.704,891 7.113,892 7.657,893 8.146,894 8.629,895 9,896 1,897 67,898 13.295,900 5.843,901 7.688,902 25.483,904 21.747,905 2.188,906 78.75,910 270.735,911 180.516,912 103.164,915 14.96,917 180.516,918 270.735,919 118.124,920 26.476,921 2.106,922 127.66,923 90.684,924 58.398,925 16.859,926 247.193,928 270.735,929 283.68,930 14.96,933 285.695,937 62.114,938 154.424,939 67.142,941 285.695,942 103.164,943 180.516,946 270.735,947 41.183,948 142.457,950 114.999,951 270.735,952 118.124,953 180.516,955 0.6,956 0.354,957 0.2,958 0.119,959 34,960 15,961 0.045,962 3,963 2,964 1.129,965 4.371,966 392.743,967 0.129,968 31,969 184.117,974 22.427,975 8.273,976 3.777,977 1.496,978 118.124,979 22.237,980 17.836,984 7.465,986 32.897,987 569.375,988 55.5,999 60.96,1000 68.482,1001 0.247,1002 0.621,1003 0.825,1004 0.922,1005 0.927,1006 0.927,1007 5.31,1008 1.965,1009 6.263,1010 6.033,1011 4.828,1012 5.416,1013 0.673,1014 7.18,1015 4.762,1016 6.566,1017 1.891,1018 7.889,1019 5.643,1020 4.635,1021 5.33,1022 0.325,1023 8.384,1024 4.547,1025 7.914,1026 1.604,1027 9.624,1028 5.463,1029 6.553,1030 7.703,1031 0.379,1032 11.514,1033 6.437,1034 9.298,1035 1.353,1036 11.424,1037 4.74,1038 7.163,1039 8.404,1040 0.268,1041 13.546,1042 7.038,1043 10.713,1044 1.346,1045 13.267,1046 3.719,1047 8.612,1048 10.279,1049 0.239,1050 16.265,1051 8.463,1052 12.152,1053 1.087,1054 15.14,1055 3.159,1056 9.576,1057 11.365,1058 0.188,1059 18.623,1060 9.419,1061 13.609,1062 1.033,1063 17.037,1064 2.747,1065 10.866,1066 13.026,1067 0.156,1068 21.227,1069 10.69,1070 3.566,1071 1,1072 18.951,1073 2.515,1074 11.987,1075 14.315,1076 0.125,1077 23.714,1078 11.8,1079 3.25,1080 13.444,1081 20.88,1082 2.136,1083 13.229,1084 15.88,1085 0.102,1086 26.29,1087 13.026,1088 2.881,1089 11.816,1090 22.82,1091 4.625,1092 14.418,1093 17.274,1094 0.082,1095 28.83,1096 14.201,1097 2.746,1098 9.491,1099 24.77,1100 4.176,1101 15.653,1102 18.8,1103 0.066,1104 31.404,1105 15.42,1106 2.569,1107 9.234,1108 26.728,1109 3.77,1110 16.872,1111 20.25,1112 0.054,1113 33.968,1114 16.625,1115 2.334,1116 8.548,1117 28.693,1118 3.762,1119 18.111,1120 21.763,1121 0.043,1122 36.545,1123 17.847,1124 2.126,1125 7.219,1126 30.664,1127 3.312,1128 19.346,1129 23.243,1130 0.035,1131 39.12,1132 19.067,1133 16309,1134 26516,1135 27.452,1136 42.586,1137 64.294,1138 63.914,1139 65.283,1140 63.458,1141 63.405,1142 85.204,1143 1.6,1144 196.889,1145 61.179,1146 5.665,1147 5.79,1148 7.305,1149 5.618,1150 5.566,1151 7.625,1152 1.2,1153 21.538,1154 5.504,1155 17.513,1156 1.568,1157 1.559,1158 1.592,1159 1.548,1160 1.546,1161 2.078,1162 0.039,1163 4.802,1164 1.492,1165 4.153,1166 4.183,1167 4.123,1168 4.075,1169 8.201,1170 4.083,1171 3.999,1172 4.028,1173 3.96,1174 3.932,1175 5.235,1176 3.935,1177 3.831,1178 3.874,1179 3.776,1180 3.735,1181 5.006,1182 3.739,1183 3.802,1184 3.852,1185 3.751,1186 3.656,1187 4.806,1188 3.672,1189 3.511,1190 3.556,1191 3.442,1192 3.41,1193 4.742,1194 3.41,1195 3.482,1196 3.541,1197 3.36,1198 3.358,1199 4.558,1200 3.352,1201 3.12,1202 3.199,1203 3.023,1204 2.951,1205 4.231,1206 2.961,1207 3.03,1208 3.135,1209 2.88,1210 2.839,1211 4.184,1212 2.829,1213 0.117,1214 0.092,1215 0.183,1216 0.111,1217 0.087,1218 4.78,1219 0.113,1220 3.79,1221 0.02,1222 7.503,1223 0.328,1224 4.547,1225 0.085,1226 3.566,1227 4.625,1228 0.8,1229 13.444,1230 3.504,1231 2.059,1232 2.038,1233 2.113,1234 2.149,1235 1.289,1236 2.139,1237 1.948,1238 1.925,1239 2.042,1240 2.038,1241 1.272,1242 2.036,1243 1.807,1244 1.772,1245 1.923,1246 1.924,1247 1.056,1248 1.926,1249 1.721,1250 1.673,1251 1.89,1252 1.883,1253 0.956,1254 1.888,1255 1.592,1256 1.54,1257 1.733,1258 1.767,1259 0.801,1260 1.765,1261 1.477,1262 1.431,1263 1.688,1264 1.624,1265 0.723,1266 1.647,1267 1.095,1268 1.029,1269 1.417,1270 1.341,1271 0.533,1272 1.357,1273 1.02,1274 0.941,1275 1.381,1276 1.287,1277 0.469,1278 1.308,1279 4.419,1281 5.802,1282 2.398,1283 7.386,1284 4.949,1285 9.062,1286 7.222,1287 10.789,1289 6.549,1291 14.324,1293 5.86,1295 0.761,1300 2.326,1301 -0.105,1305 40.78,1306 89.287,1307 224.728,1308 298.291,1309 333.51,1310 335.51,1311 335.51,1312 56.034,1313 8.945,1314 80.82,1315 80.82,1316 35,1317 13.25,1318 4.907,1319 3.954,1320 48.542,1321 137,1322 151,1323 0.17,1324 245.568,1325 416.71,1326 590.947,1327 102878,1328 1.6,1329 25.026,1330 0.695,1331 0.565,1332 24.156,1333 20.327,1334 17.315,1335 0.422,1336 0.289,1337 11.717,1338 16.809,1339 11.312,1340 9.401,1341 16.921,1342 11.839,1343 16.808,1344 0.271,1345 0.158,1346 16.174,1347 9.813,1348 14.304,1349 0.164,1350 0.079,1351 13.969,1352 6.876,1353 12.783,1354 0.102,1355 0.042,1356 12.519,1357 5.202,1358 11.068,1359 0.064,1360 0.022,1361 10.843,1362 3.784,1363 0.258,1364 107.304,1365 0.191,1366 31.916,1367 0.5,1368 206,1369 563.649,1370 221.321,1371 538.897,1372 759.28,1373 506,1374 252,1375 586.263,1376 267.594,1377 596.101,1378 881.27,1379 562,1380 5.451}
{0 CHEMBL2171929,1 1.52,2 10.714,3 5.484,4 30.078,5 134.009,6 7.454,7 0.575,8 4.254,9 4.373,10 3.842,11 3.815,12 5.313,13 3.797,14 4.826,15 5.004,16 4.252,17 4.239,18 5.835,19 4.215,20 5.082,21 5.274,22 4.371,23 4.435,24 6.096,25 4.379,26 5.214,27 5.453,28 4.353,29 4.502,30 6.148,31 4.417,32 5.197,33 5.403,34 4.395,35 4.562,36 6.137,37 4.474,38 5.307,39 5.536,40 4.45,41 4.602,42 6.237,43 4.512,44 5.304,45 5.521,46 4.44,47 4.603,48 6.304,49 4.51,50 5.386,51 5.638,52 4.305,53 4.562,54 6.348,55 4.438,56 0.004,57 1.016,58 12.686,59 5.767,60 8.39,61 7.519,62 0.2,63 1.702,64 25.552,65 9.527,66 27.463,67 12.76,68 0.396,69 2.201,70 33.67,71 12.559,72 39.899,73 16.869,74 0.496,75 2.394,76 40.68,77 14.264,78 51.961,79 20.336,80 0.219,81 2.36,82 37.551,83 15.164,84 34.272,85 21.004,86 0.428,87 2.59,88 44.066,89 16.528,90 45.482,91 23.276,92 0.413,93 2.696,94 43.006,95 16.37,96 53.715,97 22.634,98 0.494,99 2.831,100 50.35,101 18.915,102 81.588,103 25.459,104 17,105 60,106 0.241,107 0.567,108 0.767,109 0.836,110 0.836,111 0.836,112 3.59,113 0.903,114 -4.06,115 -4.01,116 -3.8,119 44.4,120 3,123 1,125 5,142 7,143 2,144 4,145 2,146 4,172 7,175 11,183 6,186 4,187 12,195 5,198 2,199 5,207 11,211 1,212 8,220 14,223 1,224 10,232 12,236 2,237 10,245 10,249 2,250 6,258 6,262 1,263 6,271 5,275 2203,276 23.747,277 23.747,278 23.747,279 23.747,280 23.747,281 21.083,282 26.336,283 13.74,284 24.323,285 19.785,286 19.785,287 19.785,288 19.785,289 19.785,290 15.718,291 37.718,292 6.574,293 20.747,294 4.457,295 2.399,296 1.134,297 0.703,298 0.703,299 0.703,300 4.306,305 1,306 839,307 3,310 64.081,311 426.813,314 118.83,315 137.026,318 1.494,319 30.34,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 375,332 4.779,333 3.791,334 7.503,335 4.54,336 3.566,337 4.625,338 0.86,339 13.444,340 3.479,341 4.592,342 3.361,343 6.996,344 4.23,345 3.25,346 4.139,347 0.8,348 11.816,349 3.182,350 4.136,351 3.112,352 6.318,353 3.79,354 2.846,355 3.763,356 0.8,357 9.477,358 2.693,359 4.034,360 2.925,361 6.189,362 3.717,363 2.745,364 3.345,366 9.172,367 2.666,368 3.854,369 2.801,370 6.021,371 3.508,372 2.56,373 3.285,375 8.518,376 2.42,377 3.495,378 2.48,379 5.621,380 3.193,381 2.234,382 2.787,384 7.173,385 2.136,386 3.38,387 2.329,388 5.108,389 2.922,390 1.984,391 2.722,393 5.671,394 1.868,395 3.326,396 2.18,397 4.958,398 2.899,399 1.943,400 2.545,402 5.49,403 1.83,404 3.013,405 1.979,406 4.722,407 2.679,408 1.742,409 2.139,411 4.76,412 1.626,413 2.827,414 1.705,415 4.455,416 2.49,417 1.556,418 1.942,420 4.364,421 1.449,422 2.795,423 1.412,424 4.014,425 2.339,426 1.351,427 1.871,428 3.159,429 1.333,430 2.5,431 1.382,432 3.804,433 2.023,434 1.111,435 1.5,436 2.748,437 1.011,438 2.482,439 1.256,440 3.522,441 1.971,442 1.035,443 1.474,445 2.663,446 0.959,447 2.227,448 1.109,449 3.497,450 1.958,451 1,452 1.203,454 2.136,455 0.954,456 2.148,457 1,458 3.269,459 1.952,460 1,461 1.045,463 2.136,464 0.946,465 16.619,466 0.475,467 1.009,468 0.029,469 46.75,470 1.336,471 23,472 0.657,473 23.75,474 0.679,475 35.05,476 1.001,477 36.781,478 0.584,479 37.877,480 1.082,481 8.851,482 0.253,483 8.07,484 0.231,485 0.107,486 0.03,487 0.349,491 1,493 0.699,494 1.25,495 0.74,496 1.104,497 0.588,498 0.961,499 1.054,500 1.039,501 0.792,502 0.833,503 0.63,504 0.777,505 1.009,506 1.094,507 1.018,508 1.021,509 0.87,510 1.02,511 0.763,512 0.796,513 0.935,514 0.831,515 0.64,516 0.88,517 0.616,518 1.012,519 0.964,520 1.095,521 0.56,522 1.082,523 0.687,524 0.941,525 0.905,526 0.97,527 0.592,528 0.968,529 0.779,530 1.09,531 1.06,532 1.137,533 0.749,534 1.137,535 1.112,536 1.116,537 1.105,538 1.112,539 1.396,540 1.11,541 7,542 0.161,543 4.667,544 3.424,545 2.449,546 2.056,547 1.474,548 0.946,549 0.653,550 0.313,551 16417,552 40036,553 2.166,554 44.4,555 9,556 17,558 2,564 1.777,565 2.029,566 3.36,567 -0.794,573 95.747,574 1.52,575 3.578,576 4.844,577 5.275,578 5.275,579 5.275,580 2.812,581 4.729,582 5.099,583 3.498,584 2081.44,585 9.012,586 30272.5,591 376.569,592 1.527,593 5.059,594 0.175,595 0.006,596 0.078,597 0.053,598 0.038,599 0.031,600 0.021,601 0.014,602 0.012,603 0.007,604 0.434,605 0.67,606 0.75,607 0.504,608 183.272,609 0.002,610 -0.199,611 0.079,612 -0.084,613 -0.027,614 -0.008,615 -0.098,616 -0.033,617 0.124,618 0.136,619 0.04,620 0.16,621 -0.037,622 -0.047,623 -0.09,624 -0.056,625 -0.035,626 -0.082,627 -0.015,628 0.166,629 0.013,630 0.121,631 0.021,632 0.085,633 -0.019,634 -0.079,635 -0.07,636 -0.1,637 -0.037,638 -0.094,639 0.04,640 -0.017,641 0.033,642 0.01,643 0.028,644 0.018,645 0.021,646 -0.085,647 -0.129,648 -0.158,649 0.057,650 -0.166,651 -0.057,652 -0.056,653 -0.102,654 -0.109,655 -0.072,656 -0.111,657 1.967,658 6.306,659 0.886,660 32.913,661 0.999,662 1.127,663 2.834,664 8.034,665 0.676,666 3.714,667 4.111,668 4.454,669 4.812,670 5.142,671 5.338,672 5.606,673 5.79,674 5.961,675 6.08,676 6.356,677 0.643,678 469.61,679 3.714,680 5.303,681 6.196,682 7.124,683 8.04,684 8.977,685 9.906,686 10.849,687 11.785,688 12.731,689 7.9,695 1,697 1,699 3,703 2,704 9,705 3,709 8,711 23,726 2,730 1,731 63,733 23,734 1,735 40,737 68,738 28,739 19,740 3,741 3,746 6,747 8,752 3,753 1,754 1,761 19,762 9,779 1,781 28,782 7,784 7,790 5,794 0.667,795 1,805 3,811 1,812 5,815 1,816 1,839 1,840 4,844 3,846 1,848 35,854 5,856 1,859 2,860 1,869 1,870 1.6,874 1,877 17.25,878 12.56,879 7.375,880 3.909,881 4.311,882 1.487,883 1.018,884 5.376,885 13.166,886 3.961,887 4.62,888 5.268,889 5.923,890 6.575,891 6.998,892 7.527,893 7.999,894 8.462,895 8.81,896 1,897 65,898 12.994,900 5.701,901 7.612,902 25.242,904 21.678,905 2.112,906 73.917,910 329.591,911 159.97,912 56.605,914 11,915 14.96,917 159.97,918 340.591,919 71.565,920 26.476,921 15.502,922 66.334,923 84.899,924 57.908,925 14.96,926 306.049,928 329.591,929 216.575,930 25.96,933 344.551,935 11,937 73.611,938 92.608,939 50.357,941 344.551,942 67.605,943 159.97,946 329.591,947 49.066,948 117.153,950 76.317,951 329.591,952 82.565,953 159.97,955 0.596,956 0.355,957 0.202,958 0.119,959 33,960 14,961 0.044,962 3,963 2,964 1.129,965 4.324,966 378.376,967 0.129,968 31,969 173.525,974 22.244,975 8.459,976 3.808,977 1.541,978 82.565,979 16.645,980 14.359,984 6.545,987 572.126,988 51.5,999 62.952,1000 71.023,1001 0.254,1002 0.599,1003 0.81,1004 0.882,1005 0.882,1006 0.882,1007 5.246,1008 1.943,1009 6.229,1010 5.671,1011 4.796,1012 5.308,1013 1.481,1014 7.146,1015 4.71,1016 6.483,1017 1.742,1018 7.854,1019 5.49,1020 4.575,1021 5.223,1022 0.57,1023 8.359,1024 4.474,1025 7.826,1026 1.556,1027 9.59,1028 4.76,1029 6.518,1030 7.569,1031 1.104,1032 11.494,1033 6.371,1034 9.207,1035 1.351,1036 11.394,1037 4.364,1038 7.124,1039 8.298,1040 0.479,1041 13.536,1042 6.971,1043 10.623,1044 1.111,1045 13.241,1046 3.159,1047 8.583,1048 10.15,1049 0.854,1050 16.256,1051 8.392,1052 12.064,1053 1.035,1054 15.119,1055 2.748,1056 9.55,1057 11.265,1058 0.346,1059 18.618,1060 9.351,1061 13.524,1062 1,1063 17.02,1064 2.663,1065 10.845,1066 12.914,1067 0.661,1068 21.222,1069 10.617,1070 3.566,1071 1,1072 18.938,1073 2.136,1074 11.968,1075 14.225,1076 0.237,1077 23.712,1078 11.726,1079 3.25,1080 13.444,1081 20.869,1082 2.136,1083 13.214,1084 15.786,1085 0.505,1086 26.288,1087 12.947,1088 2.846,1089 11.816,1090 22.811,1091 4.625,1092 14.405,1093 17.197,1094 0.158,1095 28.829,1096 14.12,1097 2.745,1098 9.477,1099 24.763,1100 4.139,1101 15.642,1102 18.724,1103 0.382,1104 31.403,1105 15.334,1106 2.56,1107 9.172,1108 26.723,1109 3.763,1110 16.863,1111 20.186,1112 0.104,1113 33.967,1114 16.535,1115 2.234,1116 8.518,1117 28.689,1118 3.345,1119 18.103,1120 21.701,1121 0.285,1122 36.544,1123 17.752,1124 1.984,1125 7.173,1126 30.66,1127 3.285,1128 19.34,1129 23.189,1130 0.068,1131 39.12,1132 18.967,1133 15113,1134 23772,1135 27.046,1136 42.557,1137 62.329,1138 62.514,1139 62.98,1140 61.762,1141 61.746,1142 79.192,1143 4.92,1144 190.534,1145 58.911,1146 5.779,1147 5.791,1148 7.305,1149 5.644,1150 5.566,1151 7.625,1152 1.72,1153 21.538,1154 5.479,1155 15.125,1156 1.558,1157 1.563,1158 1.575,1159 1.544,1160 1.544,1161 1.98,1162 0.123,1163 4.763,1164 1.473,1165 4.147,1166 4.178,1167 4.118,1168 4.06,1169 8.201,1170 4.07,1171 3.975,1172 4.012,1173 3.932,1174 3.872,1175 5.015,1176 3.882,1177 3.829,1178 3.868,1179 3.772,1180 3.735,1181 4.877,1182 3.739,1183 3.755,1184 3.811,1185 3.645,1186 3.565,1187 4.778,1188 3.575,1189 3.506,1190 3.55,1191 3.434,1192 3.405,1193 4.604,1194 3.403,1195 3.468,1196 3.524,1197 3.334,1198 3.323,1199 4.239,1200 3.318,1201 3.111,1202 3.206,1203 3.017,1204 2.941,1205 4.21,1206 2.946,1207 3.109,1208 3.187,1209 2.866,1210 2.935,1211 4.018,1212 2.91,1213 0.119,1214 0.095,1215 0.188,1216 0.114,1217 0.089,1218 4.779,1219 0.116,1220 3.791,1221 0.022,1222 7.503,1223 0.336,1224 4.54,1225 0.087,1226 3.566,1227 4.625,1228 0.86,1229 13.444,1230 3.479,1231 2.058,1232 2.036,1233 2.112,1234 2.149,1235 1.286,1236 2.139,1237 1.874,1238 1.837,1239 1.997,1240 2.03,1241 1.246,1242 2.021,1243 1.807,1244 1.772,1245 1.925,1246 1.924,1247 1.191,1248 1.926,1249 1.692,1250 1.637,1251 1.914,1252 1.879,1253 0.956,1254 1.893,1255 1.578,1256 1.529,1257 1.754,1258 1.765,1259 0.911,1260 1.765,1261 1.471,1262 1.425,1263 1.688,1264 1.622,1265 0.825,1266 1.645,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.783,1272 1.429,1273 1.078,1274 1.014,1275 1.417,1276 1.325,1277 0.532,1278 1.343,1279 4.394,1281 5.771,1282 2.398,1283 7.354,1284 4.949,1285 9.03,1286 7.222,1287 10.758,1289 6.538,1291 14.306,1295 3.911,1297 5.55,1300 4.669,1301 -0.147,1305 40.527,1306 95.747,1307 225.413,1308 305.143,1309 332.304,1310 332.304,1311 332.304,1312 54.82,1313 8.855,1314 54.38,1315 54.38,1316 35,1317 13.224,1318 4.585,1319 3.644,1320 46.564,1321 129,1322 153,1323 0.173,1324 241.96,1325 416.02,1326 582.143,1327 91969,1328 1.6,1329 24.156,1330 0.69,1331 0.579,1332 23.286,1333 20.254,1334 16.921,1335 0.423,1336 0.301,1337 11.877,1338 16.279,1339 11.495,1340 9.48,1341 16.527,1342 12.043,1343 16.174,1344 0.27,1345 0.166,1346 15.541,1347 9.941,1348 13.977,1349 0.164,1350 0.083,1351 13.642,1352 7.05,1353 12.479,1354 0.102,1355 0.044,1356 12.215,1357 5.335,1358 10.841,1359 0.064,1360 0.023,1361 10.616,1362 3.857,1363 0.261,1364 105.819,1365 0.192,1366 31.169,1367 0.51,1368 200,1369 558.072,1370 217.367,1371 518.52,1372 726.6,1373 490,1374 245,1375 551.054,1376 264.25,1377 555.814,1378 826.69,1379 524,1380 5.764}
{0 CHEMBL2171930,1 1.502,2 10.806,3 5.577,4 31.103,5 136.58,6 7.96,7 0.707,8 4.214,9 4.335,10 3.849,11 3.805,12 5.377,13 3.794,14 4.729,15 4.896,16 4.27,17 4.22,18 5.865,19 4.202,20 4.979,21 5.154,22 4.384,23 4.396,24 6.095,25 4.358,26 5.136,27 5.365,28 4.369,29 4.455,30 6.164,31 4.394,32 5.106,33 5.288,34 4.41,35 4.541,36 6.132,37 4.467,38 5.264,39 5.487,40 4.466,41 4.6,42 6.257,43 4.514,44 5.277,45 5.496,46 4.454,47 4.587,48 6.338,49 4.501,50 5.302,51 5.549,52 4.326,53 4.501,54 6.365,55 4.404,56 0.031,57 1.01,58 10.521,59 4.959,60 10.776,61 6.238,62 0.18,63 1.65,64 20.26,65 8.498,66 29.274,67 11.065,68 0.244,69 2.105,70 26.472,71 10.703,72 36.686,73 13.7,74 0.538,75 2.307,76 35.619,77 12.345,78 57.534,79 16.736,80 0.21,81 2.258,82 30.191,83 13.349,84 29.321,85 17.614,86 0.372,87 2.564,88 39.672,89 16.042,90 49.928,91 21.988,92 0.412,93 2.667,94 39.883,95 15.997,96 57.47,97 21.518,98 0.537,99 2.73,100 44.987,101 16.582,102 90.415,103 21.737,104 26,105 62,106 0.238,107 0.6,108 0.785,109 0.861,110 0.866,111 0.866,112 3.617,113 0.856,114 -4.31,115 -4.25,116 -4.01,119 46.7,120 3,123 1,125 1,142 8,143 3,144 3,145 3,146 5,150 1,163 1,164 1,165 1,172 8,174 1,175 14,177 2,178 2,183 7,186 2,187 14,195 6,198 2,199 7,204 2,207 12,209 2,211 2,212 8,217 1,220 18,222 1,223 1,224 7,226 1,227 1,232 15,236 2,237 13,239 1,240 1,245 16,249 1,250 7,255 1,258 9,260 1,262 1,263 8,268 4,271 8,273 4,275 2362,276 24.195,277 24.195,278 24.195,279 24.195,280 24.195,281 20.793,282 19.044,283 13.863,284 24.664,285 20.268,286 20.268,287 20.268,288 20.268,289 20.268,290 15.159,291 22.856,292 6.63,293 21.086,294 4.405,295 2.12,296 0.95,297 0.471,298 0.438,299 0.438,300 4.331,305 1,306 866,307 3.082,310 66.991,311 442.535,314 123.582,315 142.11,318 1.539,319 33.056,322 1,323 0.67,324 1,325 0.6,326 0.5,327 1,328 1,329 0.82,330 77,331 389,332 4.78,333 3.79,334 7.503,335 4.541,336 3.566,337 4.625,338 0.8,339 13.444,340 3.48,341 4.594,342 3.361,343 6.996,344 4.23,345 3.25,346 4.176,348 11.816,349 3.182,350 4.224,351 2.929,352 6.319,353 3.854,354 2.881,355 3.77,357 9.491,358 2.807,359 4.136,360 2.903,361 6.203,362 3.719,363 2.746,364 3.762,366 9.234,367 2.671,368 3.86,369 2.789,370 6.03,371 3.52,372 2.569,373 3.312,375 8.548,376 2.438,377 3.719,378 2.482,379 5.627,380 3.278,381 2.334,382 3.108,384 7.219,385 2.204,386 3.455,387 2.34,388 5.117,389 3.069,390 2.126,391 2.786,393 6.033,394 1.995,395 3.38,396 2.17,397 5.025,398 2.92,399 1.965,400 2.722,402 5.643,403 1.863,404 3.297,405 1.95,406 4.958,407 2.845,408 1.891,409 2.554,411 5.463,412 1.792,413 2.98,414 1.695,415 4.722,416 2.551,417 1.604,418 2.153,420 4.74,421 1.514,422 2.808,423 1.395,424 4.243,425 2.34,426 1.353,427 1.943,428 3.719,429 1.334,430 2.773,431 1.382,432 4.01,433 2.32,434 1.346,435 1.881,436 3.159,437 1.307,438 2.558,439 1.129,440 3.803,441 2.027,442 1.087,443 1.584,445 2.747,446 1.019,447 2.5,448 1.064,449 3.505,450 1.985,451 1.033,452 1.5,454 2.515,455 0.98,456 2.476,457 1,458 3.473,459 1.958,460 1,461 1.465,463 2.136,464 0.955,465 17.086,466 0.475,467 1.115,468 0.031,469 53.25,470 1.479,471 29,472 0.806,473 24.25,474 0.674,475 32.451,476 0.901,477 36.314,478 0.605,479 44.035,480 1.223,481 10.123,482 0.281,483 7.191,484 0.2,485 0.128,486 0.029,487 0.375,491 1,493 0.715,494 1.142,495 0.706,496 0.968,497 0.697,498 0.858,499 0.702,500 0.975,501 0.656,502 0.835,503 0.518,504 0.754,505 1.008,506 1.177,507 0.988,508 1.093,509 0.88,510 1.047,511 0.957,512 0.745,513 0.967,514 0.766,515 0.686,516 0.833,517 0.628,518 0.997,519 1.011,520 1.157,521 0.555,522 1.149,523 0.588,524 0.913,525 0.885,526 1.027,527 0.578,528 1.01,529 0.763,530 1.014,531 1.002,532 1.122,533 0.736,534 1.109,535 1.34,536 1.093,537 1.115,538 1.041,539 1.462,540 1.048,541 8,542 0.21,543 4.889,544 3.611,545 2.721,546 2.112,547 1.494,548 0.996,549 0.733,550 0.353,551 17632,552 47324,553 2.144,554 40,555 9,556 10,558 3,559 2,564 1.784,565 1.991,566 3.389,567 0.148,573 90.117,574 1.502,575 3.786,576 4.957,577 5.436,578 5.469,579 5.469,580 2.841,581 4.837,582 5.14,583 3.542,584 2231.56,585 9.092,586 33158,591 354.413,592 1.581,593 5.092,594 0.195,595 0.007,596 0.079,597 0.054,598 0.041,599 0.031,600 0.021,601 0.014,602 0.012,603 0.008,604 0.461,605 0.33,606 0.75,607 0.539,608 190.459,609 -0.045,610 -0.123,611 0.051,612 -0.018,613 -0.096,614 0.024,615 0.073,616 0.018,617 0.191,618 0.118,619 0.126,620 0.162,621 -0.079,622 -0.139,623 -0.115,624 -0.147,625 -0.061,626 -0.14,627 -0.072,628 0.203,629 -0.008,630 0.178,632 0.118,633 -0.018,634 -0.084,635 -0.156,636 -0.172,637 -0.039,638 -0.185,639 0.091,640 -0.033,641 0.054,642 -0.026,643 0.039,644 -0.001,645 0.064,646 -0.073,647 -0.054,648 -0.128,649 0.053,650 -0.116,651 -0.122,652 -0.041,653 -0.072,654 -0.026,655 -0.125,656 -0.037,657 1.996,658 6.314,659 0.861,660 34.79,661 1.003,662 1.126,663 3.083,664 9.506,665 0.697,666 3.738,667 4.143,668 4.477,669 4.836,670 5.165,671 5.361,672 5.624,673 5.814,674 5.999,675 6.118,676 6.528,677 0.671,678 477.59,679 3.738,680 5.333,681 6.225,682 7.154,683 8.069,684 9.006,685 9.933,686 10.876,687 11.811,688 12.756,689 11.7,693 1,697 1,699 5,703 2,704 11,705 5,709 10,711 29,722 1,726 1,730 1,731 60,733 29,734 1,735 41,737 65,738 28,739 23,740 3,741 3,746 6,747 8,752 3,753 1,754 1,761 23,762 5,779 1,781 24,782 8,783 2,784 8,790 7,794 0.667,805 3,806 1,811 1,812 5,815 1,816 1,840 4,844 3,846 1,848 36,849 1,854 1,859 1,860 1,869 1,877 18.083,878 12.093,879 7.542,880 3.55,881 5.251,882 1.587,883 1.036,884 5.118,885 14.195,886 4.034,887 4.727,888 5.386,889 6.049,890 6.704,891 7.113,892 7.657,893 8.146,894 8.629,895 9,896 1,897 67,898 13.292,900 5.851,901 7.715,902 25.353,904 21.554,905 2.215,906 79.75,910 258.964,911 170.182,912 119.949,915 14.96,917 170.182,918 258.964,919 134.909,920 26.476,921 2.106,922 108.707,923 119.241,924 67.016,925 16.859,926 223.651,928 258.964,929 290.132,930 14.96,933 273.924,937 73.918,938 132.286,939 83.928,941 273.924,942 119.949,943 170.182,946 258.964,947 40.755,948 132.552,950 131.785,951 258.964,952 134.909,953 170.182,955 0.6,956 0.354,957 0.2,958 0.119,959 34,960 15,961 0.046,962 3,963 2,964 1.129,965 4.371,966 392.743,967 0.129,968 31,969 182.117,974 22.366,975 8.238,976 3.758,977 1.448,978 134.909,979 19.597,980 22.615,984 6.787,986 32.897,987 564.056,988 55.5,999 60.178,1000 67.565,1001 0.254,1002 0.641,1003 0.839,1004 0.92,1005 0.926,1006 0.926,1007 5.31,1008 1.965,1009 6.263,1010 6.033,1011 4.828,1012 5.416,1013 0.673,1014 7.18,1015 4.754,1016 6.566,1017 1.891,1018 7.889,1019 5.643,1020 4.635,1021 5.33,1022 0.325,1023 8.384,1024 4.541,1025 7.914,1026 1.604,1027 9.624,1028 5.463,1029 6.553,1030 7.703,1031 0.379,1032 11.514,1033 6.422,1034 9.298,1035 1.353,1036 11.424,1037 4.74,1038 7.163,1039 8.404,1040 0.268,1041 13.546,1042 7.022,1043 10.713,1044 1.346,1045 13.267,1046 3.719,1047 8.612,1048 10.279,1049 0.239,1050 16.265,1051 8.44,1052 12.152,1053 1.087,1054 15.14,1055 3.159,1056 9.576,1057 11.365,1058 0.188,1059 18.623,1060 9.393,1061 13.609,1062 1.033,1063 17.037,1064 2.747,1065 10.866,1066 13.026,1067 0.156,1068 21.227,1069 10.657,1070 3.566,1071 1,1072 18.951,1073 2.515,1074 11.987,1075 14.315,1076 0.125,1077 23.714,1078 11.761,1079 3.25,1080 13.444,1081 20.88,1082 2.136,1083 13.229,1084 15.88,1085 0.102,1086 26.29,1087 12.98,1088 2.881,1089 11.816,1090 22.82,1091 4.625,1092 14.418,1093 17.274,1094 0.082,1095 28.83,1096 14.149,1097 2.746,1098 9.491,1099 24.77,1100 4.176,1101 15.653,1102 18.8,1103 0.066,1104 31.404,1105 15.36,1106 2.569,1107 9.234,1108 26.728,1109 3.77,1110 16.872,1111 20.25,1112 0.054,1113 33.968,1114 16.558,1115 2.334,1116 8.548,1117 28.693,1118 3.762,1119 18.111,1120 21.763,1121 0.043,1122 36.545,1123 17.773,1124 2.126,1125 7.219,1126 30.664,1127 3.312,1128 19.346,1129 23.243,1130 0.035,1131 39.12,1132 18.986,1133 16309,1134 26896,1135 27.452,1136 41.83,1137 64.294,1138 63.914,1139 65.283,1140 63.445,1141 63.405,1142 85.204,1143 1.6,1144 196.889,1145 60.895,1146 5.665,1147 5.79,1148 7.305,1149 5.612,1150 5.566,1151 7.625,1152 1.2,1153 21.538,1154 5.48,1155 17.513,1156 1.568,1157 1.559,1158 1.592,1159 1.547,1160 1.546,1161 2.078,1162 0.039,1163 4.802,1164 1.485,1165 4.148,1166 4.179,1167 4.12,1168 4.063,1169 8.201,1170 4.073,1171 3.987,1172 4.021,1173 3.952,1174 3.895,1175 5.237,1176 3.904,1177 3.831,1178 3.873,1179 3.776,1180 3.735,1181 5.01,1182 3.739,1183 3.8,1184 3.851,1185 3.749,1186 3.654,1187 4.87,1188 3.669,1189 3.506,1190 3.551,1191 3.439,1192 3.406,1193 4.778,1194 3.405,1195 3.471,1196 3.534,1197 3.354,1198 3.332,1199 4.578,1200 3.332,1201 3.111,1202 3.192,1203 3.018,1204 2.937,1205 4.236,1206 2.948,1207 3.029,1208 3.127,1209 2.875,1210 2.833,1211 4.203,1212 2.825,1213 0.117,1214 0.092,1215 0.183,1216 0.111,1217 0.087,1218 4.78,1219 0.113,1220 3.79,1221 0.02,1222 7.503,1223 0.328,1224 4.541,1225 0.085,1226 3.566,1227 4.625,1228 0.8,1229 13.444,1230 3.48,1231 2.058,1232 2.036,1233 2.112,1234 2.149,1235 1.286,1236 2.139,1237 1.906,1238 1.875,1239 1.995,1240 2.03,1241 1.227,1242 2.017,1243 1.807,1244 1.772,1245 1.923,1246 1.924,1247 1.019,1248 1.926,1249 1.713,1250 1.662,1251 1.889,1252 1.877,1253 0.956,1254 1.884,1255 1.581,1256 1.532,1257 1.719,1258 1.763,1259 0.801,1260 1.753,1261 1.47,1262 1.422,1263 1.666,1264 1.621,1265 0.699,1266 1.643,1267 1.083,1268 1.017,1269 1.417,1270 1.338,1271 0.506,1272 1.35,1273 1.02,1274 0.94,1275 1.366,1276 1.278,1277 0.469,1278 1.308,1279 4.419,1281 5.802,1282 2.398,1283 7.386,1284 4.949,1285 9.062,1286 7.222,1287 10.789,1289 6.404,1291 14.314,1293 5.84,1295 0.698,1300 2.264,1301 -0.216,1305 40.274,1306 90.117,1307 227.187,1308 297.394,1309 326.149,1310 328.149,1311 328.149,1312 57.521,1313 8.945,1314 93.71,1315 93.71,1316 35,1317 13.25,1318 4.907,1319 3.954,1320 48.542,1321 137,1322 151,1323 0.17,1324 242.77,1325 410.41,1326 584.12,1327 102878,1328 1.7,1329 25.026,1330 0.695,1331 0.561,1332 24.156,1333 20.197,1334 17.315,1335 0.422,1336 0.285,1337 11.56,1338 16.746,1339 11.171,1340 9.281,1341 16.921,1342 11.699,1343 16.808,1344 0.271,1345 0.156,1346 16.174,1347 9.672,1348 14.304,1349 0.164,1350 0.077,1351 13.969,1352 6.658,1353 12.783,1354 0.102,1355 0.04,1356 12.519,1357 5.026,1358 11.068,1359 0.064,1360 0.021,1361 10.843,1362 3.639,1363 0.258,1364 107.758,1365 0.191,1366 31.916,1367 0.5,1368 206,1369 583.294,1370 223.042,1371 556.143,1372 781.68,1373 522,1374 252,1375 602.728,1376 269.953,1377 611.591,1378 904.15,1379 576,1380 6.292}
{0 CHEMBL2171931,1 1.558,2 10.763,3 4.712,4 22.201,5 143.557,6 7.524,7 0.523,8 4.343,9 4.456,10 3.94,11 3.893,12 5.379,13 3.882,14 4.936,15 5.104,16 4.342,17 4.33,18 5.927,19 4.308,20 5.206,21 5.404,22 4.467,23 4.537,24 6.162,25 4.481,26 5.305,27 5.527,28 4.478,29 4.613,30 6.226,31 4.532,32 5.369,33 5.594,34 4.527,35 4.669,36 6.281,37 4.586,38 5.383,39 5.596,40 4.569,41 4.703,42 6.312,43 4.621,44 5.424,45 5.636,46 4.6,47 4.727,48 6.385,49 4.646,50 5.505,51 5.731,52 4.55,53 4.735,54 6.463,55 4.635,56 0.013,57 1.088,58 13.676,59 6.343,60 7.87,61 8.085,62 0.297,63 1.846,64 28.422,65 10.66,66 31.762,67 13.812,68 0.527,69 2.407,70 38.765,71 14.414,72 46.521,73 19.179,74 0.474,75 2.63,76 43.142,77 15.907,78 49.278,79 22.337,80 0.522,81 2.696,82 46.551,83 17.331,84 49.113,85 24.24,86 0.448,87 2.795,88 46.355,89 17.983,90 47.262,91 24.882,92 0.493,93 2.978,94 48.371,95 18.641,96 56.101,97 25.461,98 0.584,99 3.208,100 54.555,101 20.957,102 78.685,103 27.743,104 5,105 65,106 0.243,107 0.557,108 0.756,109 0.841,110 0.841,111 0.841,112 3.669,113 0.909,114 -3.69,115 -3.66,116 -3.48,119 44.1,120 1,121 2,123 1,125 7,142 7,143 2,144 4,145 2,146 4,172 7,175 13,183 6,186 4,187 13,195 5,198 2,199 5,207 11,211 3,212 8,220 14,223 1,224 11,232 12,236 2,237 12,245 10,249 3,250 8,258 6,262 2,263 8,271 5,275 2774,276 26.421,277 26.421,278 26.421,279 26.421,280 26.421,281 23.756,282 30.65,283 15.466,284 27.149,285 21.762,286 21.762,287 21.762,288 21.762,289 21.762,290 17.701,291 43.822,292 7.36,293 22.928,294 4.53,295 2.51,296 1.234,297 0.688,298 0.688,299 0.688,300 4.398,305 1,306 927,307 3,310 67.956,311 551.998,314 127.412,315 147.478,318 1.42,319 35.212,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 82,331 409,332 4.804,333 3.851,334 7.763,335 4.612,336 3.633,337 4.625,338 0.86,339 14.575,340 3.561,341 4.624,342 3.383,343 7.026,344 4.248,345 3.27,346 4.16,347 0.86,348 11.992,349 3.196,350 4.137,351 3.119,352 6.363,353 3.813,354 2.866,355 3.763,356 0.8,357 9.656,358 2.718,359 4.07,360 2.928,361 6.209,362 3.718,363 2.747,364 3.366,365 0.8,366 9.2,367 2.666,368 3.868,369 2.832,370 6.051,371 3.538,372 2.592,373 3.315,375 8.645,376 2.443,377 3.555,378 2.526,379 5.692,380 3.235,381 2.278,382 2.807,384 7.348,385 2.174,386 3.38,387 2.329,388 5.143,389 2.922,390 1.986,391 2.733,393 5.684,394 1.869,395 3.342,396 2.288,397 4.959,398 2.901,399 1.943,400 2.619,402 5.5,403 1.831,404 3.013,405 2.162,406 4.73,407 2.697,408 1.769,409 2.142,411 4.765,412 1.638,413 2.864,414 1.974,415 4.476,416 2.538,417 1.618,418 1.947,420 4.42,421 1.487,422 2.802,423 1.706,424 4.102,425 2.401,426 1.51,427 1.914,428 3.361,429 1.336,430 2.579,431 1.419,432 3.929,433 2.339,434 1.351,435 1.585,436 3.144,437 1.328,438 2.5,439 1.382,440 3.732,441 2.022,442 1.111,443 1.5,445 2.723,446 1.009,447 2.465,448 1.256,449 3.695,450 1.969,451 1.034,452 1.453,454 2.656,455 0.963,456 2.226,457 1.2,458 3.52,459 1.967,460 1,461 1.201,463 2.23,464 0.957,465 17.952,466 0.472,467 0.888,468 0.023,469 49.25,470 1.296,471 23,472 0.605,473 26.25,474 0.691,475 39.319,476 1.035,477 40.248,478 0.592,479 40.947,480 1.078,481 9.36,482 0.246,483 9.267,484 0.244,485 0.044,486 0.028,487 0.323,491 1,493 0.727,494 1.256,495 0.726,496 1.12,497 0.568,498 0.96,499 1.168,500 1.047,501 0.883,502 0.876,503 0.706,504 0.837,505 0.999,506 1.013,507 0.981,508 0.937,509 0.849,510 0.953,511 0.671,512 0.942,513 0.957,514 0.981,515 0.615,516 0.999,517 0.666,518 0.881,519 0.913,520 0.931,521 0.558,522 0.949,523 0.654,524 0.984,525 0.916,526 1.027,527 0.599,528 1.015,529 0.752,530 1.061,531 0.975,532 1.078,533 0.716,534 1.063,535 1.028,536 1.159,537 1.105,538 1.16,539 1.304,540 1.148,541 6.5,542 0.193,543 4.667,544 3.299,545 2.562,546 1.99,547 1.553,548 0.906,549 0.611,550 0.331,551 20671,552 50738,553 2.232,554 44.1,555 3,556 21,558 2,561 4,564 1.799,565 2.141,566 3.362,567 -0.784,573 105.924,574 1.558,575 3.577,576 4.853,577 5.4,578 5.4,579 5.4,580 2.788,581 4.88,582 5.218,583 3.509,584 2466.54,585 9.262,586 38010.9,591 413.947,592 1.325,593 5.197,594 0.148,595 0.005,596 0.072,597 0.046,598 0.036,599 0.026,600 0.02,601 0.011,602 0.008,603 0.006,604 0.377,605 0.5,606 0.75,607 0.362,608 203.453,609 -0.006,610 -0.197,611 0.085,612 -0.088,613 0.003,614 -0.005,615 -0.153,616 -0.041,617 0.031,618 0.1,619 -0.005,620 0.097,621 -0.064,622 0.012,623 -0.047,624 0.038,625 -0.031,626 -0.001,627 -0.001,628 0.039,629 -0.037,630 -0.013,631 0.019,632 -0.026,633 0.01,634 0.044,635 0.014,636 0.044,637 -0.01,638 0.035,639 0.028,640 -0.035,642 -0.035,643 0.013,644 -0.025,645 0.02,646 -0.061,647 -0.048,648 -0.088,649 0.062,650 -0.082,651 -0.043,652 -0.073,653 -0.133,654 -0.155,655 -0.061,656 -0.157,657 1.967,658 6.455,659 0.947,660 37.632,661 1.002,662 1.127,663 2.461,664 6.056,665 0.673,666 3.807,667 4.19,668 4.564,669 4.934,670 5.283,671 5.497,672 5.793,673 6.023,674 6.223,675 6.382,676 6.532,677 0.644,678 511.65,679 3.807,680 5.389,681 6.29,682 7.216,683 8.141,684 9.08,685 10.018,686 10.965,687 11.91,688 12.862,689 7.4,695 1,697 1,699 3,703 2,704 9,705 3,709 8,711 23,726 2,730 1,731 68,733 23,734 1,735 44,737 74,738 30,739 19,740 3,741 3,746 7,747 9,752 1,753 1,754 1,755 2,758 2,761 19,762 11,779 1,781 30,782 8,784 8,790 5,794 0.571,795 2,805 3,811 1,812 6,815 1,816 1,839 2,840 4,844 1,846 1,848 38,854 9,856 2,859 2,860 1,869 1,870 2.9,874 2,877 17.75,878 12.726,879 8.125,880 4.326,881 4.273,882 1.467,883 1.029,884 5.942,885 13.415,886 4.034,887 4.668,888 5.318,889 5.97,890 6.621,891 7.051,892 7.592,893 8.079,894 8.544,895 8.908,896 1,897 72,898 14.146,900 6.27,901 7.59,902 27.629,904 24.08,905 2.09,906 79.417,910 353.133,911 156.574,912 56.605,914 22,915 14.96,917 156.574,918 375.133,919 71.565,920 8.825,921 29.756,922 66.334,923 95.899,924 57.908,925 14.96,926 329.591,928 353.133,929 213.179,930 36.96,933 321.009,934 47.084,935 22,937 70.214,938 92.608,939 50.357,941 368.093,942 78.605,943 156.574,946 353.133,947 63.32,948 99.502,950 87.316,951 353.133,952 93.565,953 156.574,955 0.588,956 0.357,957 0.209,958 0.123,959 36,960 14,961 0.041,962 3,963 2,964 1.139,965 4.574,966 433.851,967 0.111,968 37,969 191.421,974 23.816,975 9.481,976 4.039,977 1.549,978 93.565,979 16.795,980 14.613,984 6.657,987 603.272,988 55.5,999 68.163,1000 76.648,1001 0.256,1002 0.588,1003 0.797,1004 0.887,1005 0.887,1006 0.887,1007 5.317,1008 1.943,1009 6.304,1010 5.684,1011 4.875,1012 5.357,1013 1.771,1014 7.226,1015 4.784,1016 6.533,1017 1.769,1018 7.927,1019 5.5,1020 4.575,1021 5.223,1022 0.57,1023 8.494,1024 4.474,1025 7.87,1026 1.618,1027 9.665,1028 4.765,1029 6.589,1030 7.595,1031 1.413,1032 11.654,1033 6.44,1034 9.248,1035 1.51,1036 11.478,1037 4.42,1038 7.171,1039 8.313,1040 0.479,1041 13.81,1042 7.026,1043 10.664,1044 1.351,1045 13.341,1046 3.361,1047 8.665,1048 10.168,1049 1.15,1050 16.567,1051 8.48,1052 12.107,1053 1.111,1054 15.24,1055 3.144,1056 9.636,1057 11.282,1058 0.346,1059 19.045,1060 9.451,1061 13.571,1062 1.034,1063 17.166,1064 2.723,1065 10.953,1066 12.93,1067 0.93,1068 21.712,1069 10.74,1070 3.633,1071 1,1072 19.111,1073 2.656,1074 12.091,1075 14.241,1076 0.237,1077 24.306,1078 11.871,1079 3.27,1080 14.575,1081 21.073,1082 2.23,1083 13.356,1084 15.802,1085 0.742,1086 26.96,1087 13.115,1088 2.866,1089 11.992,1090 23.048,1091 4.625,1092 14.566,1093 17.213,1094 0.158,1095 29.598,1096 14.312,1097 2.747,1098 9.656,1099 25.033,1100 4.16,1101 15.822,1102 18.739,1103 0.583,1104 32.257,1105 15.549,1106 2.592,1107 9.2,1108 27.028,1109 3.763,1110 17.063,1111 20.2,1112 0.104,1113 34.914,1114 16.775,1115 2.278,1116 8.645,1117 29.03,1118 3.366,1119 18.322,1120 21.715,1121 0.452,1122 37.579,1123 18.017,1124 1.986,1125 7.348,1126 31.039,1127 3.315,1128 19.58,1129 23.203,1130 0.068,1131 40.245,1132 19.257,1133 18708,1134 29466,1135 30.512,1136 45.773,1137 67.742,1138 68.258,1139 69.328,1140 67.386,1141 67.338,1142 84.779,1143 6.64,1144 205.468,1145 63.969,1146 5.804,1147 5.851,1148 7.565,1149 5.716,1150 5.633,1151 7.625,1152 1.72,1153 22.778,1154 5.561,1155 11.348,1156 1.54,1157 1.551,1158 1.576,1159 1.532,1160 1.53,1161 1.927,1162 0.151,1163 4.67,1164 1.454,1165 4.154,1166 4.186,1167 4.123,1168 4.065,1169 8.201,1170 4.075,1171 3.992,1172 4.026,1173 3.948,1174 3.892,1175 5.016,1176 3.901,1177 3.829,1178 3.868,1179 3.772,1180 3.735,1181 4.877,1182 3.739,1183 3.787,1184 3.839,1185 3.68,1186 3.607,1187 4.779,1188 3.617,1189 3.606,1190 3.651,1191 3.496,1192 3.435,1193 4.613,1194 3.441,1195 3.504,1196 3.549,1197 3.429,1198 3.386,1199 4.574,1200 3.389,1201 3.238,1202 3.301,1203 3.13,1204 3.033,1205 4.232,1206 3.047,1207 3.111,1208 3.206,1209 2.917,1210 2.941,1211 4.113,1212 2.91,1213 0.109,1214 0.088,1215 0.176,1216 0.105,1217 0.083,1218 4.804,1219 0.105,1220 3.851,1221 0.02,1222 7.763,1223 0.331,1224 4.612,1225 0.081,1226 3.633,1227 4.625,1228 0.86,1229 14.575,1230 3.561,1231 2.058,1232 2.036,1233 2.112,1234 2.149,1235 1.414,1236 2.139,1237 1.898,1238 1.864,1239 2.032,1240 2.046,1241 1.277,1242 2.04,1243 1.807,1244 1.773,1245 1.948,1246 1.959,1247 1.215,1248 1.961,1249 1.761,1250 1.714,1251 1.921,1252 1.923,1253 0.956,1254 1.925,1255 1.588,1256 1.54,1257 1.76,1258 1.787,1259 0.914,1260 1.78,1261 1.489,1262 1.447,1263 1.695,1264 1.641,1265 0.825,1266 1.657,1267 1.19,1268 1.122,1269 1.513,1270 1.455,1271 0.825,1272 1.463,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.795,1278 1.429,1279 4.489,1281 5.855,1282 2.398,1283 7.44,1284 4.949,1285 9.124,1286 7.248,1287 10.861,1289 2.1,1291 14.455,1295 7.212,1297 11.38,1300 4.747,1301 -0.093,1305 43.768,1306 105.924,1307 243.263,1308 330.031,1309 367.193,1310 367.193,1311 367.193,1312 59.292,1313 9.142,1314 63.61,1315 63.61,1316 41,1317 13.352,1318 4.585,1319 3.644,1320 48.007,1321 143,1322 170,1323 0.159,1324 257.748,1325 447.05,1326 620.664,1327 124335,1328 1.5,1329 25.692,1330 0.676,1331 0.566,1332 24.821,1333 21.491,1334 18.628,1335 0.423,1336 0.303,1337 13.122,1338 17.838,1339 12.854,1340 10.467,1341 18.234,1342 13.327,1343 17.109,1344 0.263,1345 0.161,1346 16.475,1347 10.45,1348 15.49,1349 0.163,1350 0.087,1351 15.154,1352 8.268,1353 13.962,1354 0.101,1355 0.046,1356 13.698,1357 6.287,1358 12.363,1359 0.063,1360 0.024,1361 12.139,1362 4.673,1363 0.239,1364 117.061,1365 0.181,1366 33.217,1367 0.472,1368 218,1369 619.808,1370 238.245,1371 568.743,1372 794.8,1373 540,1374 269,1375 594.691,1376 290.908,1377 595.709,1378 891.29,1379 564,1380 5.488}
{0 CHEMBL2171932,1 1.345,2 9.345,3 5.059,4 25.59,5 118.677,6 6.682,7 0.515,8 4.147,9 4.273,10 3.649,11 3.712,12 5.097,13 3.667,14 4.739,15 4.932,16 4.061,17 4.148,18 5.606,19 4.093,20 4.988,21 5.185,22 4.174,23 4.367,24 5.86,25 4.277,26 5.156,27 5.4,28 4.134,29 4.454,30 5.937,31 4.322,32 5.172,33 5.415,34 4.131,35 4.478,36 5.945,37 4.336,38 5.198,39 5.447,40 4.122,41 4.468,42 5.968,43 4.325,44 5.173,45 5.418,46 4.02,47 4.424,48 5.948,49 4.264,50 5.197,51 5.481,52 3.775,53 4.316,54 5.895,55 4.109,56 0.056,57 0.833,58 13.456,59 5.63,60 9.154,61 7.868,62 0.212,63 1.428,64 25.623,65 9.367,66 20.254,67 13.415,68 0.313,69 1.84,70 32.868,71 12.119,72 28.735,73 17.564,74 0.33,75 2.099,76 39.147,77 14.976,78 31.917,79 21.88,80 0.219,81 2.077,82 39.42,83 16.196,84 31.643,85 23.304,86 0.27,87 2.112,88 40.856,89 16.162,90 35.105,91 23.332,92 0.31,93 2.068,94 39.818,95 15.619,96 35.432,97 22.683,98 0.299,99 2.012,100 41.436,101 16.094,102 37.113,103 23.496,104 17,105 50,106 0.219,107 0.519,108 0.723,109 0.811,110 0.816,111 0.816,112 3.41,113 0.96,114 -4.88,115 -4.78,116 -4.49,119 43.1,120 4,123 1,125 5,142 7,143 3,144 3,146 2,172 10,175 11,183 13,186 1,187 9,195 10,198 2,199 6,207 15,212 4,220 17,224 8,232 19,236 1,237 6,245 14,249 1,250 5,258 6,263 5,271 1,275 1283,276 19.524,277 19.524,278 19.524,279 19.524,280 19.524,281 17.52,282 25.566,283 11.199,284 19.936,285 16.298,286 16.298,287 16.298,288 16.298,289 16.298,290 13.229,291 37.754,292 5.324,293 16.965,294 4.513,295 2.671,296 1.417,297 0.88,298 0.845,299 0.845,300 4.117,304 1,305 1,306 602,307 2.828,310 52.803,311 271.387,314 97.084,315 108.967,318 1.322,319 14.906,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 271,332 4.764,333 3.79,334 7.503,335 4.544,336 3.563,337 4.584,338 0.86,339 13.436,340 3.501,341 4.559,342 3.337,343 6.948,344 4.181,345 3.198,346 4.134,347 0.8,348 11.62,349 3.138,350 4.034,351 3.111,352 6.212,353 3.79,354 2.845,355 3.387,356 0.8,357 9.251,358 2.694,359 3.857,360 2.686,361 6.009,362 3.453,363 2.487,364 3.311,366 8.443,367 2.418,368 3.638,369 2.553,370 5.815,371 3.364,372 2.392,373 2.943,375 7.613,376 2.299,377 3.379,378 2.349,379 5.45,380 3.048,381 2.089,382 2.554,384 6.632,385 1.999,386 3.013,387 2.09,388 4.911,389 2.693,390 1.756,391 2.156,393 4.924,394 1.643,395 2.913,396 1.751,397 4.455,398 2.512,399 1.555,400 2.094,402 4.365,403 1.482,404 2.813,405 1.439,406 3.985,407 2.411,408 1.417,409 1.875,411 3.07,412 1.408,413 2.527,414 1.404,415 3.747,416 2.082,417 1.116,418 1.538,420 2.825,421 1.079,422 2.24,423 1.256,424 3.639,425 1.993,426 1.071,427 1.211,428 2.665,429 0.974,430 2.187,431 1.208,432 3.515,433 1.952,434 1,435 1.125,436 2.361,437 0.946,438 2,439 1.058,440 3.267,441 1.872,442 0.899,443 1,445 2.136,446 0.873,447 1.381,448 0.428,449 3.247,450 1.103,451 0.124,452 0.145,454 0.309,455 0.121,456 1.195,457 -0.031,458 2.856,459 0.776,460 -0.184,461 -0.242,463 -0.495,464 -0.176,465 14.033,466 0.484,467 0.89,468 0.031,469 36,470 1.241,471 17,472 0.586,473 19,474 0.655,475 30.29,476 1.044,477 30.967,478 0.534,479 25.854,480 0.892,481 6.66,482 0.23,483 7.295,484 0.252,485 0.143,486 0.036,487 0.342,493 0.885,494 1.366,495 0.869,496 1.136,497 0.994,498 1.022,499 1.454,500 1.034,501 0.847,502 0.806,503 0.97,504 0.779,505 1.253,506 1.172,507 1.103,508 1.037,509 1.096,510 1.05,511 0.797,512 0.947,513 1.042,514 0.982,515 0.855,516 1.014,517 0.61,518 1.054,519 0.975,520 1.07,521 0.787,522 1.054,523 0.831,524 1.034,525 0.999,526 1.032,527 0.874,528 1.029,529 0.783,530 1.148,531 1.145,532 1.179,533 0.891,534 1.188,535 0.72,536 1.057,537 1.095,538 1.147,539 1.035,540 1.149,541 6,542 0.058,543 4.222,544 3.049,545 2.067,546 1.639,547 1.149,548 0.607,549 0.345,550 0.136,551 9726,552 19404,553 2.141,554 50,555 9,556 17,560 3,564 1.728,565 1.989,566 3.18,567 -0.853,573 78.03,574 1.345,575 3.187,576 4.441,577 4.978,578 5.013,579 5.013,580 2.62,581 4.444,582 4.831,583 3.311,584 1344.09,585 8.461,586 17082,588 1,591 339.763,592 1.599,593 4.779,594 0.182,595 0.004,596 0.084,597 0.056,598 0.041,599 0.032,600 0.023,601 0.014,602 0.011,603 0.006,604 0.454,605 0.5,606 0.88,607 0.562,608 142.595,609 0.063,610 -0.198,611 0.093,612 -0.065,613 -0.071,614 0.002,615 -0.082,616 0.075,617 0.162,618 0.19,619 0.084,620 0.194,621 -0.083,622 -0.054,623 -0.11,624 -0.045,625 -0.08,626 -0.077,627 -0.033,628 0.109,629 -0.073,630 0.003,631 -0.055,632 -0.03,634 -0.052,635 -0.026,636 -0.05,637 -0.029,638 -0.041,639 -0.041,640 -0.034,641 -0.034,642 -0.03,643 -0.009,644 -0.031,645 -0.013,646 -0.135,647 -0.183,648 -0.183,649 -0.036,650 -0.195,651 0.008,652 -0.109,653 -0.131,654 -0.17,655 -0.109,656 -0.162,657 1.149,658 2.055,659 0.862,660 22.542,661 0.985,662 1.122,663 3.646,664 13.295,665 0.662,666 3.526,667 3.932,668 4.277,669 4.625,670 4.942,671 5.106,672 5.333,673 5.468,674 5.576,675 5.659,676 5.605,677 0.614,678 387.57,679 3.526,680 5.118,681 6.014,682 6.944,683 7.863,684 8.801,685 9.731,686 10.673,687 11.608,688 12.553,689 5.2,695 1,697 1,699 1,703 2,704 7,705 1,709 6,711 17,726 2,731 58,733 17,734 2,735 33,737 62,738 25,739 15,740 5,741 7,746 5,747 7,752 4,753 1,754 1,761 15,762 10,781 29,782 4,784 4,790 3,794 0.6,795 1,805 1,811 1,812 4,815 1,816 1,839 1,840 3,844 4,848 29,854 5,856 1,859 2,860 1,870 1.7,874 1,877 14.583,878 11.85,879 6.097,880 3.661,881 3.517,882 1.426,883 1.001,884 4.469,885 11.775,886 3.75,887 4.407,888 5.048,889 5.686,890 6.312,891 6.688,892 7.132,893 7.531,894 7.917,895 8.161,896 1,897 54,898 10.753,900 4.615,901 7.382,902 21.478,904 18.546,905 1.882,906 54.583,909 1,910 341.362,911 139.252,912 23.034,914 11,917 139.252,918 352.362,919 23.034,920 35.301,921 15.502,922 66.334,923 27.785,924 28.364,926 341.362,928 341.362,929 162.286,930 11,933 341.362,935 11,937 58.828,938 86.672,939 16.786,941 341.362,942 34.034,943 139.252,946 341.362,947 37.617,948 107.883,950 27.785,951 341.362,952 34.034,953 139.252,955 0.6,956 0.362,957 0.204,958 0.12,959 28,960 12,961 0.032,962 2,963 2,964 1.16,965 3.857,966 287.7,967 0.16,968 25,969 130.881,974 18.749,975 6.913,976 3.07,977 2.303,978 34.034,979 15.544,980 4.842,984 7.727,987 514.648,988 41.5,999 57.12,1000 65.102,1001 0.23,1002 0.544,1003 0.758,1004 0.85,1005 0.856,1006 0.856,1007 5.045,1008 1.555,1009 6.057,1010 4.924,1011 4.615,1012 5.094,1013 1.481,1014 6.987,1015 4.546,1016 6.285,1017 1.417,1018 7.694,1019 4.365,1020 4.443,1021 5.066,1022 0.57,1023 8.242,1024 4.366,1025 7.636,1026 1.116,1027 9.443,1028 3.07,1029 6.358,1030 7.362,1031 1.104,1032 11.372,1033 6.238,1034 9.025,1035 1.071,1036 11.259,1037 2.825,1038 7.004,1039 8.144,1040 0.479,1041 13.441,1042 6.883,1043 10.449,1044 1,1045 13.117,1046 2.665,1047 8.451,1048 9.964,1049 0.854,1050 16.163,1051 8.297,1052 11.898,1053 0.899,1054 15.005,1055 2.361,1056 9.444,1057 11.118,1058 0.346,1059 18.541,1060 9.286,1061 13.366,1062 0.124,1063 16.914,1064 2.136,1065 10.737,1066 12.749,1067 0.661,1068 21.15,1069 10.556,1070 3.563,1071 -0.184,1072 18.839,1073 0.309,1074 11.875,1075 14.083,1076 0.237,1077 23.649,1078 11.686,1079 3.198,1080 13.436,1081 20.777,1082 -0.495,1083 13.123,1084 15.636,1085 0.505,1086 26.23,1087 12.916,1088 2.845,1089 11.62,1090 22.726,1091 4.584,1092 14.323,1093 17.058,1094 0.158,1095 28.777,1096 14.103,1097 2.487,1098 9.251,1099 24.683,1100 4.134,1101 15.563,1102 18.579,1103 0.382,1104 31.354,1105 15.328,1106 2.392,1107 8.443,1108 26.648,1109 3.387,1110 16.79,1111 20.044,1112 0.104,1113 33.922,1114 16.541,1115 2.089,1116 7.613,1117 28.619,1118 3.311,1119 18.033,1120 21.555,1121 0.285,1122 36.502,1123 17.768,1124 1.756,1125 6.632,1126 30.596,1127 2.943,1128 19.274,1129 23.042,1130 0.068,1131 39.08,1132 18.994,1133 9079,1134 12930,1135 22.076,1136 38.37,1137 51.401,1138 51.693,1139 52.558,1140 51.016,1141 51.025,1142 64.111,1143 4.92,1144 159.3,1145 49.151,1146 5.764,1147 5.79,1148 7.304,1149 5.648,1150 5.563,1151 7.584,1152 1.72,1153 21.515,1154 5.501,1155 13.256,1156 1.558,1157 1.566,1158 1.593,1159 1.546,1160 1.546,1161 1.943,1162 0.149,1163 4.827,1164 1.489,1165 4.139,1166 4.171,1167 4.102,1168 4.061,1169 4.983,1170 4.067,1171 3.98,1172 4.011,1173 3.93,1174 3.911,1175 4.761,1176 3.912,1177 3.755,1178 3.811,1179 3.643,1180 3.565,1181 4.589,1182 3.575,1183 3.569,1184 3.617,1185 3.468,1186 3.483,1187 4.405,1188 3.474,1189 3.481,1190 3.536,1191 3.343,1192 3.349,1193 4.203,1194 3.339,1195 3.202,1196 3.285,1197 3.071,1198 3.028,1199 4.012,1200 3.026,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.774,1206 2.91,1207 3.048,1208 3.153,1209 2.834,1210 2.848,1211 3.74,1212 2.831,1213 0.144,1214 0.115,1215 0.227,1216 0.138,1217 0.108,1218 4.764,1219 0.139,1220 3.79,1221 0.026,1222 7.503,1223 0.407,1224 4.544,1225 0.106,1226 3.563,1227 4.584,1228 0.86,1229 13.436,1230 3.501,1231 2.054,1232 2.03,1233 2.125,1234 2.141,1235 1.293,1236 2.137,1237 1.924,1238 1.897,1239 2.04,1240 2.037,1241 1.285,1242 2.038,1243 1.695,1244 1.64,1245 1.917,1246 1.884,1247 1.194,1248 1.9,1249 1.609,1250 1.563,1251 1.804,1252 1.771,1253 0.976,1254 1.783,1255 1.543,1256 1.49,1257 1.769,1258 1.698,1259 0.882,1260 1.726,1261 1.198,1262 1.119,1263 1.554,1264 1.43,1265 0.825,1266 1.474,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.621,1272 1.429,1273 1.066,1274 0.972,1275 1.417,1276 1.323,1277 0.544,1278 1.354,1279 4.205,1281 5.587,1282 2.398,1283 7.177,1284 4.949,1285 8.86,1286 7.222,1287 10.593,1289 9.038,1295 4.499,1297 5.555,1300 4.974,1301 0.101,1305 35.627,1306 78.03,1307 184.843,1308 257.582,1309 288.743,1310 290.743,1311 290.743,1312 36.366,1313 8.257,1314 28.6,1315 28.6,1316 29,1317 13.047,1318 4.17,1319 3.248,1320 39.235,1321 95,1322 110,1323 0.202,1324 214.572,1325 367.23,1326 515.316,1327 44296,1329 20.173,1330 0.696,1331 0.615,1332 20.173,1333 17.827,1334 13.954,1335 0.423,1336 0.32,1337 10.455,1338 13.557,1339 10.007,1340 8.3,1341 13.954,1342 10.563,1343 13.456,1344 0.269,1345 0.179,1346 13.456,1347 8.959,1348 11.708,1349 0.165,1350 0.092,1351 11.708,1352 6.546,1353 10.253,1354 0.102,1355 0.048,1356 10.253,1357 4.856,1358 8.911,1359 0.064,1360 0.026,1361 8.911,1362 3.562,1363 0.303,1364 86.247,1365 0.213,1366 26.611,1367 0.6,1368 166,1369 364.671,1370 176.095,1371 359.14,1372 518.12,1373 342,1374 204,1375 402.791,1376 215.761,1377 413.682,1378 615.94,1379 390,1380 4.387}
{0 CHEMBL2172474,1 1.653,2 9.222,3 1.836,4 3.37,5 97.977,6 8.26,7 0.7,8 3.93,9 4.068,10 3.588,11 3.382,12 5.133,13 3.413,14 4.413,15 4.604,16 3.966,17 3.718,18 5.637,19 3.748,20 4.542,21 4.75,22 3.91,23 3.773,24 5.729,25 3.789,26 4.517,27 4.716,28 3.953,29 3.822,30 5.698,31 3.812,32 4.569,33 4.767,34 3.98,35 3.845,36 5.727,37 3.851,38 4.658,39 4.874,40 4.056,41 3.903,42 5.857,43 3.895,44 4.687,45 4.904,46 3.898,47 3.881,48 5.838,49 3.85,50 4.639,51 4.883,52 3.756,53 3.777,54 5.783,55 3.711,56 0.131,57 0.775,58 7.53,59 2.967,60 6.876,61 3.953,62 0.345,63 1.148,64 14.856,65 4.586,66 22.482,67 6.657,68 0.547,69 1.217,70 18.08,71 4.29,72 46.686,73 5.961,74 0.385,75 1.226,76 16.853,77 5.815,78 29.233,79 8.221,80 0.423,81 1.287,82 17.591,83 5.137,84 29.748,85 7.227,86 0.512,87 1.356,88 20.567,89 6.545,90 37.252,91 9.388,92 0.558,93 1.327,94 21.253,95 5.836,96 46.827,97 8.311,98 0.53,99 1.167,100 22.088,101 6.625,102 44.905,103 9.906,104 19,105 43,106 0.282,107 0.661,108 0.813,109 0.875,110 0.875,111 0.875,112 3.341,113 0.823,114 -4.77,115 -4.69,116 -4.4,119 38.6,120 2,124 1,142 4,145 1,146 1,147 3,149 1,151 1,152 1,158 1,161 1,166 2,172 1,174 2,175 10,178 4,180 3,186 2,187 4,190 2,198 4,199 5,202 3,204 3,207 2,211 3,212 3,215 1,217 1,220 1,223 6,224 9,227 3,228 1,229 1,232 4,236 3,237 5,242 1,245 2,249 3,250 6,253 2,255 3,258 2,262 1,263 2,266 1,271 1,275 1205,276 18.049,277 18.049,278 18.049,279 18.049,280 18.049,281 15.353,282 21.914,283 10.651,284 18.512,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.807,291 35.647,292 5.159,293 15.682,294 3.807,295 1.581,296 0.688,297 0.324,298 0.324,299 0.324,300 4.035,303 1,304 1,305 1,306 536,307 3.082,310 116.302,311 146.701,314 105.354,318 1.358,319 24.821,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 59.5,331 249,332 4.698,333 3.535,334 6.943,335 4.23,336 3.284,337 4.634,338 1.907,339 11.779,340 3.106,341 4.157,342 3.316,343 5.879,344 3.698,345 2.758,346 3.819,347 0.4,348 8.336,349 2.591,350 4.089,351 2.828,352 5.655,353 3.634,354 2.691,355 3.713,356 0.149,357 7.818,358 2.533,359 3.689,360 2.765,361 5.476,362 3.296,363 2.326,364 3.094,366 7.13,367 2.253,368 3.538,369 2.327,370 5.119,371 3.131,372 2.171,373 2.79,375 6.119,376 2.078,377 3.316,378 2.14,379 4.879,380 2.912,381 1.977,382 2.597,384 5.576,385 1.843,386 3.151,387 2.126,388 4.558,389 2.718,390 1.733,391 2.339,393 4.654,394 1.69,395 3.052,396 1.743,397 4.536,398 2.586,399 1.649,400 2.257,402 4.422,403 1.542,404 2.92,405 1.468,406 4.334,407 2.403,408 1.443,409 2.109,411 4.18,412 1.383,413 2.809,414 1.365,415 3.625,416 2.3,417 1.342,418 1.946,420 2.955,421 1.282,422 2.207,423 0.758,424 3.444,425 1.705,426 0.731,427 1.069,428 1.741,429 0.71,430 1.997,431 0.622,432 3.271,433 1.469,434 0.524,435 0.763,436 1.409,437 0.494,438 1.211,439 0.524,440 2.877,441 0.847,442 -0.076,443 -0.094,445 -0.22,446 -0.07,447 1.181,448 0.074,449 2.678,450 0.802,451 -0.15,452 -0.184,454 -0.415,455 -0.142,456 0.922,457 0.027,458 2.563,459 0.542,460 -0.413,461 -0.517,463 -1.046,464 -0.393,465 12.433,466 0.46,467 0.767,468 0.028,469 39.75,470 1.472,471 20.5,472 0.759,473 19.25,474 0.713,475 18.991,476 0.703,477 28.367,478 0.645,479 29.955,480 1.109,481 7.981,482 0.296,483 5.01,484 0.186,485 0.147,487 0.386,493 0.795,494 1.519,495 0.685,496 1.154,497 0.657,498 0.933,499 0.754,500 1.303,501 0.633,502 0.964,503 0.511,504 0.797,505 1.602,506 0.931,507 1.167,508 0.703,509 1.571,510 0.812,511 0.649,512 1.112,513 0.793,514 1.055,515 0.451,516 0.968,517 1.152,518 1.165,519 1.008,520 0.99,521 1.004,522 0.961,523 0.693,524 0.975,525 0.782,526 0.964,527 0.56,528 0.901,529 1.332,530 1.08,531 1.261,532 1.039,533 1.329,534 1.114,535 0.808,536 1.01,537 1.031,538 1.102,539 0.7,540 1.107,541 6.5,542 0.087,543 2,544 2.799,545 1.126,546 1.126,547 0.642,548 0.57,549 0.329,550 0.228,551 8032,552 23989,553 2.097,554 38.6,556 7,557 1,558 1,559 2,560 6,564 1.71,565 1.952,566 3.179,567 0.377,568 1,569 1,573 72.712,574 1.653,575 3.879,576 4.772,577 5.135,578 5.135,579 5.135,580 2.648,581 4.533,582 4.723,583 3.33,584 1168.72,585 8.25,586 14659.7,588 1,590 1,591 240.215,592 1.447,593 4.681,594 0.217,595 0.008,596 0.047,597 0.07,598 0.027,599 0.026,600 0.014,601 0.015,602 0.01,603 0.012,604 0.445,605 0.17,606 1,607 0.936,608 131.167,609 -0.008,610 -0.293,611 0.065,612 -0.149,613 -0.1,614 -0.049,615 0.166,616 -0.192,617 0.245,618 -0.014,619 0.191,620 0.105,621 -0.408,622 0.166,623 -0.246,624 0.17,625 -0.4,626 0.027,627 0.183,628 -0.033,629 0.092,630 -0.059,631 0.212,632 -0.016,633 -0.18,634 -0.06,635 -0.125,636 -0.055,637 -0.187,638 -0.072,639 0.223,640 0.068,641 0.148,642 0.005,643 0.218,644 0.048,645 -0.284,646 -0.042,647 -0.326,648 -0.105,649 -0.282,650 -0.202,651 0.119,652 -0.071,653 -0.031,654 -0.109,655 0.199,656 -0.098,657 1.873,658 4.421,659 0.741,660 23.273,661 1.018,662 1.144,663 3.545,664 12.566,665 0.672,666 3.434,667 3.784,668 4.043,669 4.407,670 4.605,671 4.779,672 4.956,673 5.153,674 5.176,675 5.231,676 5.701,677 0.659,678 363.43,679 3.434,680 4.99,681 5.844,682 6.746,683 7.624,684 8.536,685 9.427,686 10.344,687 11.242,688 12.162,689 20.5,696 1,697 3,699 5,703 1,704 6,705 5,709 6,710 1,711 21,724 1,731 44,733 22,735 30,737 47,738 17,739 13,746 4,747 5,752 2,761 14,762 3,766 1,771 1,775 1,777 1,778 1,781 17,782 8,783 2,784 10,787 1,790 9,794 0.75,795 1,803 1,804 1,806 1,811 2,812 2,815 1,826 1,840 3,844 3,848 27,855 2,870 2.3,873 1,877 13.833,878 9.067,879 5.778,880 2.447,881 4.077,882 1.536,883 1.009,884 4.399,885 11.678,886 3.75,887 4.419,888 5.022,889 5.717,890 6.22,891 6.643,892 7.154,893 7.674,894 7.976,895 8.368,896 1,897 40,898 9.883,900 4.167,901 7.809,902 18.505,904 14.689,905 2.309,906 62.333,910 176.567,911 103.292,912 122.645,914 25.145,917 103.292,918 201.711,919 122.645,920 26.047,921 18.011,922 46.952,923 127.019,924 35.083,925 21.512,926 153.024,928 176.567,929 225.936,930 25.145,933 178.894,934 25.145,937 70.132,938 69.794,939 83.683,941 176.567,942 147.79,943 103.292,946 176.567,947 21.245,948 84.987,949 36.022,950 108.828,951 176.567,952 147.79,953 103.292,955 0.585,956 0.322,957 0.192,958 0.105,959 22,960 10,961 0.085,962 4,963 1,964 1.1,965 3.79,966 242.002,967 0.1,968 20,969 128.382,974 17.28,975 6.874,976 3.559,977 0.656,978 144.849,979 10.699,980 22.088,984 3.365,985 1.694,986 36.022,987 427.648,988 41.5,993 11.421,997 -0.206,999 44.778,1000 50.355,1001 0.303,1002 0.71,1003 0.874,1004 0.941,1005 0.941,1006 0.941,1007 4.985,1008 1.649,1009 5.844,1010 4.654,1011 4.466,1012 5.106,1013 1.997,1014 6.671,1015 4.362,1016 6.224,1017 1.443,1018 7.403,1019 4.422,1020 4.111,1021 4.997,1022 1.593,1023 7.567,1024 3.957,1025 7.547,1026 1.342,1027 9.059,1028 4.18,1029 6.066,1030 7.376,1031 2.907,1032 10.71,1033 5.848,1034 8.904,1035 0.731,1036 10.772,1037 2.955,1038 6.494,1039 8.084,1040 3.032,1041 12.498,1042 6.22,1043 10.292,1044 0.524,1045 12.527,1046 1.741,1047 7.956,1048 9.95,1049 4.038,1050 15.174,1051 7.623,1052 11.702,1053 -0.076,1054 14.312,1055 1.409,1056 8.768,1057 11.072,1058 4.409,1059 17.367,1060 8.377,1061 13.133,1062 -0.15,1063 16.122,1064 -0.22,1065 10.035,1066 12.723,1067 5.25,1068 19.892,1069 9.587,1070 3.284,1071 -0.413,1072 17.953,1073 -0.415,1074 11.037,1075 14.053,1076 5.75,1077 22.253,1078 10.53,1079 2.758,1080 11.779,1081 19.802,1082 -1.046,1083 12.231,1084 15.617,1085 6.501,1086 24.733,1087 11.668,1088 2.691,1089 8.336,1090 21.666,1091 4.634,1092 13.323,1093 17.048,1094 7.068,1095 27.158,1096 12.702,1097 2.326,1098 7.818,1099 23.543,1100 3.819,1101 14.495,1102 18.58,1103 7.771,1104 29.626,1105 13.819,1106 2.171,1107 7.13,1108 25.43,1109 3.713,1110 15.631,1111 20.06,1112 8.374,1113 32.077,1114 14.898,1115 1.977,1116 6.119,1117 27.326,1118 3.094,1119 16.8,1120 21.583,1121 9.051,1122 34.542,1123 16.012,1124 1.733,1125 5.576,1126 29.229,1127 2.79,1128 17.958,1129 23.087,1130 9.674,1131 37.002,1132 17.113,1133 7746,1134 13545,1135 19.997,1136 29.551,1137 46.043,1138 46.046,1139 46.658,1140 45.285,1141 45.259,1142 62.261,1143 4.912,1144 132.236,1145 43.01,1146 5.497,1147 5.535,1148 6.624,1149 5.314,1150 5.284,1151 7.634,1152 3.306,1153 18.989,1154 5.046,1155 13.534,1156 1.535,1157 1.535,1158 1.555,1159 1.509,1160 1.509,1161 2.075,1162 0.164,1163 4.408,1164 1.434,1165 4.133,1166 4.189,1167 4.116,1168 3.947,1169 7.43,1170 3.983,1171 3.9,1172 3.971,1173 3.852,1174 3.686,1175 5.161,1176 3.718,1177 3.828,1178 3.884,1179 3.79,1180 3.65,1181 4.948,1182 3.677,1183 3.521,1184 3.571,1185 3.431,1186 3.299,1187 4.919,1188 3.32,1189 3.368,1190 3.433,1191 3.284,1192 3.21,1193 4.411,1194 3.219,1195 3.145,1196 3.234,1197 2.961,1198 2.974,1199 4.1,1200 2.959,1201 3.068,1202 3.162,1203 2.874,1204 2.856,1205 3.965,1206 2.842,1207 2.841,1208 2.932,1209 2.757,1210 2.612,1211 3.863,1212 2.635,1213 0.157,1214 0.118,1215 0.231,1216 0.141,1217 0.109,1218 4.698,1219 0.154,1220 3.535,1221 0.064,1222 6.943,1223 0.393,1224 4.23,1225 0.104,1226 3.284,1227 4.634,1228 1.907,1229 11.779,1230 3.106,1231 1.875,1232 1.828,1233 1.945,1234 2.071,1235 1.012,1236 2.035,1237 1.763,1238 1.716,1239 1.865,1240 1.955,1241 0.881,1242 1.928,1243 1.548,1244 1.493,1245 1.751,1246 1.814,1247 0.801,1248 1.791,1249 1.493,1250 1.418,1251 1.707,1252 1.746,1253 0.722,1254 1.725,1255 1.432,1256 1.367,1257 1.627,1258 1.684,1259 0.69,1260 1.677,1261 1.262,1262 1.198,1263 1.52,1264 1.444,1265 0.586,1266 1.472,1267 1.101,1268 1.029,1269 1.305,1270 1.323,1271 0.372,1272 1.331,1273 0.923,1274 0.858,1275 1.096,1276 1.156,1277 0.151,1278 1.151,1279 4.111,1281 5.451,1282 3.045,1283 6.963,1284 5.416,1285 8.564,1286 7.516,1287 10.219,1289 5.031,1296 5.902,1305 29.015,1306 72.712,1307 170.666,1308 209.95,1309 225.95,1310 225.95,1311 225.95,1312 35.091,1313 7.601,1314 114.92,1315 114.92,1316 22,1317 12.675,1318 4.524,1319 3.644,1320 39.797,1321 87,1322 99,1323 0.216,1324 180.138,1325 291.01,1326 431.296,1327 19776,1329 18.966,1330 0.702,1331 0.556,1332 18.966,1333 15.003,1334 12.991,1335 0.433,1336 0.274,1337 8.062,1338 12.258,1339 7.81,1340 6.533,1341 12.991,1342 8.235,1343 12.369,1344 0.288,1345 0.139,1346 12.369,1347 5.969,1348 9.478,1349 0.169,1350 0.067,1351 9.478,1352 3.738,1353 8.862,1354 0.109,1355 0.034,1356 8.862,1357 2.742,1358 6.752,1359 0.068,1360 0.017,1361 6.752,1362 1.686,1363 0.328,1364 82.663,1365 0.224,1366 25.35,1367 0.633,1368 146,1369 469.917,1370 167.031,1371 456.727,1372 638.15,1373 428,1374 172,1375 498.574,1376 193.34,1377 497.807,1378 724.92,1379 468,1380 5.78}
{0 CHEMBL2172475,1 1.643,2 8.692,3 2.28,4 5.196,5 94.152,6 8.295,7 0.724,8 3.883,9 4.018,10 3.543,11 3.363,12 5.091,13 3.391,14 4.355,15 4.531,16 3.915,17 3.711,18 5.586,19 3.728,20 4.506,21 4.713,22 3.85,23 3.761,24 5.658,25 3.761,26 4.469,27 4.663,28 3.916,29 3.804,30 5.645,31 3.794,32 4.539,33 4.729,34 3.951,35 3.854,36 5.697,37 3.847,38 4.64,39 4.853,40 4.004,41 3.909,42 5.811,43 3.888,44 4.664,45 4.879,46 3.822,47 3.875,48 5.799,49 3.822,50 4.615,51 4.875,52 3.634,53 3.719,54 5.716,55 3.631,56 0.111,57 0.737,58 7.085,59 2.863,60 7.391,61 3.675,62 0.294,63 1.105,64 13.255,65 4.759,66 20.497,67 6.488,68 0.482,69 1.178,70 17.514,71 4.721,72 43.418,73 6.25,74 0.337,75 1.187,76 15.764,77 5.577,78 26.978,79 7.665,80 0.372,81 1.271,82 16.561,83 5.485,84 27.74,85 7.307,86 0.447,87 1.343,88 20.007,89 6.715,90 34.191,91 9.374,92 0.485,93 1.305,94 20.597,95 6.387,96 43.088,97 8.71,98 0.478,99 1.116,100 22.653,101 7.05,102 43.664,103 10.385,104 12,105 41,106 0.282,107 0.652,108 0.799,109 0.888,110 0.888,111 0.888,112 3.305,113 0.825,114 -4.69,115 -4.61,116 -4.33,119 40.5,120 2,142 5,146 1,147 3,149 1,151 2,152 1,158 1,161 1,168 1,172 2,174 2,175 9,178 4,180 4,183 1,186 1,187 3,190 1,191 1,198 3,199 5,202 2,204 3,207 2,211 2,212 4,215 2,217 2,220 2,223 3,224 7,227 3,228 1,229 1,232 4,236 1,237 5,240 1,242 4,245 4,249 2,250 4,253 2,255 5,258 2,263 2,266 1,267 1,268 1,271 2,275 1076,276 17.602,277 17.602,278 17.602,279 17.602,280 17.602,281 14.93,282 18.752,283 10.518,284 18.045,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 10.396,291 30.647,292 5.087,293 15.161,294 3.75,295 1.596,296 0.741,297 0.226,298 0.226,299 0.226,300 4.001,303 1,304 1,305 1,306 490,307 3,310 110.235,311 140.123,314 99.855,318 1.254,319 22.211,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 57,331 226,332 4.698,333 3.535,334 6.943,335 4.224,336 3.284,337 4.634,338 1.907,339 11.779,340 3.089,341 4.156,342 3.315,343 5.879,344 3.693,345 2.754,346 3.819,347 0.4,348 8.336,349 2.583,350 3.941,351 2.8,352 5.601,353 3.498,354 2.558,355 3.498,356 0.149,357 7.554,358 2.403,359 3.675,360 2.672,361 5.392,362 3.288,363 2.316,364 3.075,366 6.968,367 2.247,368 3.522,369 2.261,370 5.017,371 3.098,372 2.133,373 2.783,375 5.855,376 2.051,377 3.26,378 2.139,379 4.855,380 2.802,381 1.864,382 2.559,384 5.421,385 1.749,386 3.15,387 1.947,388 4.536,389 2.709,390 1.728,391 2.339,393 4.422,394 1.675,395 2.927,396 1.475,397 4.335,398 2.401,399 1.452,400 2.118,402 4.186,403 1.376,404 2.859,405 1.408,406 3.643,407 2.359,408 1.386,409 2.023,411 2.994,412 1.344,413 2.557,414 1.175,415 3.515,416 2.058,417 1.12,418 1.581,420 2.52,421 1.048,422 2.118,423 0.622,424 3.327,425 1.604,426 0.618,427 0.927,428 1.402,429 0.609,430 1.996,431 0.618,432 3,433 1.478,434 0.523,435 0.762,436 1.372,437 0.498,438 1.198,439 0.523,440 2.777,441 0.802,442 -0.123,443 -0.156,445 -0.35,446 -0.113,447 1.166,448 0.027,449 2.67,450 0.8,451 -0.151,452 -0.185,454 -0.418,455 -0.143,456 0.917,457 0.006,458 2.529,459 0.539,460 -0.416,461 -0.52,463 -1.052,464 -0.397,465 12.033,466 0.463,467 0.661,468 0.025,469 39,470 1.5,471 20.5,472 0.788,473 18.5,474 0.712,475 17.548,476 0.675,477 26.967,478 0.642,479 28.378,480 1.091,481 7.845,482 0.302,483 4.752,484 0.183,485 0.111,487 0.366,493 0.869,494 1.454,495 0.699,496 1.062,497 0.655,498 0.874,499 0.666,500 1.264,501 0.677,502 1.037,503 0.519,504 0.887,505 1.518,506 0.903,507 1.132,508 0.724,509 1.491,510 0.822,511 0.723,512 1.109,513 0.806,514 1.001,515 0.474,516 0.929,517 1.068,518 1.13,519 1.017,520 1.031,521 0.956,522 1.008,523 0.746,524 0.998,525 0.842,526 0.983,527 0.581,528 0.936,529 1.251,530 1.107,531 1.294,532 1.139,533 1.245,534 1.208,535 0.781,536 0.936,537 1.003,538 1.073,539 0.755,540 1.079,541 5.5,542 0.071,543 1.778,544 2.451,545 1.081,546 1.046,547 0.628,548 0.405,549 0.267,550 0.14,551 7285,552 21826,553 2.124,554 38.1,556 5,557 2,559 3,560 6,564 1.7,565 2,566 3.111,567 1.05,568 1,569 1,571 1,573 68.99,574 1.643,575 3.796,576 4.651,577 5.166,578 5.166,579 5.166,580 2.507,581 4.133,582 4.67,583 3.264,584 1060.85,585 8.143,586 12955,587 1,588 1,590 1,591 226.477,592 1.37,593 4.637,594 0.19,595 0.009,596 0.043,597 0.065,598 0.026,599 0.025,600 0.014,601 0.012,602 0.01,603 0.009,604 0.402,605 0.17,606 1,607 0.902,608 124.423,609 -0.085,610 -0.256,611 0.046,612 -0.085,613 -0.104,614 -0.008,615 0.213,616 -0.149,617 0.171,618 -0.081,619 0.165,620 0.01,621 -0.362,622 0.167,623 -0.202,624 0.176,625 -0.356,626 0.048,627 0.111,628 -0.037,629 0.072,630 -0.022,631 0.178,632 0.009,633 -0.133,634 -0.033,635 -0.147,636 -0.089,637 -0.167,638 -0.115,639 0.141,640 0.028,641 0.088,642 -0.009,643 0.168,644 0.021,645 -0.25,646 -0.095,647 -0.355,648 -0.184,649 -0.241,650 -0.272,651 0.129,652 -0.051,653 0.046,654 -0.068,655 0.153,656 -0.03,657 1.859,658 4.4,659 0.769,660 21.615,661 1.016,662 1.139,663 3.464,664 11.997,665 0.68,666 3.401,667 3.738,668 4.007,669 4.369,670 4.564,671 4.754,672 4.92,673 5.1,674 5.094,675 5.136,676 5.5,677 0.667,678 348.41,679 3.401,680 4.949,681 5.802,682 6.701,683 7.579,684 8.489,685 9.381,686 10.297,687 11.196,688 12.115,689 19,696 1,697 3,699 4,703 1,704 7,705 4,706 1,709 6,711 21,724 1,731 42,733 22,735 29,737 45,738 17,739 14,746 4,747 5,752 2,761 15,762 2,766 1,771 1,775 1,777 1,778 1,781 16,782 7,783 3,784 9,787 1,790 8,794 0.75,795 1,803 1,805 1,806 1,811 2,812 2,815 1,826 1,840 3,844 2,848 26,855 2,870 2.4,873 1,877 13,878 8.25,879 5.611,880 2.344,881 4.027,882 1.537,883 1.028,884 4.207,885 11.525,886 3.726,887 4.382,888 4.992,889 5.687,890 6.188,891 6.63,892 7.136,893 7.646,894 7.925,895 8.31,896 0.833,897 38,898 9.515,900 4.025,901 7.801,902 17.853,904 14.277,905 2.301,906 59.833,910 153.024,911 104.372,912 120.991,914 25.145,917 104.372,918 178.169,919 120.991,920 17.65,921 18.011,922 65.476,923 98.584,924 41.045,925 33.283,926 129.482,928 153.024,929 225.362,930 25.145,933 155.352,934 25.145,937 76.093,938 79.921,939 67.02,941 153.024,942 146.136,943 104.372,946 153.024,947 21.245,948 84.413,949 52.685,950 92.165,951 153.024,952 146.136,953 104.372,955 0.579,956 0.322,957 0.194,958 0.103,959 21,960 9,961 0.089,962 4,963 1,964 1.1,965 3.734,966 229.804,967 0.1,968 20,969 122.211,974 16.394,975 6.673,976 3.363,977 0.762,978 128.186,979 12.895,980 17.541,981 2.763,984 3.621,986 52.685,987 403.531,988 40.5,993 11.4,997 -0.193,999 42.676,1000 47.857,1001 0.305,1002 0.704,1003 0.863,1004 0.958,1005 0.958,1006 0.958,1007 4.951,1008 1.452,1009 5.79,1010 4.422,1011 4.419,1012 5.069,1013 1.997,1014 6.613,1015 4.315,1016 6.18,1017 1.386,1018 7.344,1019 4.186,1020 4.007,1021 4.902,1022 1.593,1023 7.509,1024 3.849,1025 7.496,1026 1.12,1027 8.998,1028 2.994,1029 6.009,1030 7.33,1031 2.907,1032 10.664,1033 5.786,1034 8.849,1035 0.618,1036 10.714,1037 2.52,1038 6.415,1039 8.014,1040 3.032,1041 12.466,1042 6.128,1043 10.233,1044 0.523,1045 12.472,1046 1.402,1047 7.896,1048 9.9,1049 4.038,1050 15.148,1051 7.549,1052 11.643,1053 -0.123,1054 14.262,1055 1.372,1056 8.703,1057 11.014,1058 4.409,1059 17.35,1060 8.287,1061 13.073,1062 -0.151,1063 16.078,1064 -0.35,1065 9.979,1066 12.675,1067 5.25,1068 19.878,1069 9.504,1070 3.284,1071 -0.416,1072 17.915,1073 -0.418,1074 10.982,1075 14.006,1076 5.75,1077 22.244,1078 10.439,1079 2.754,1080 11.779,1081 19.769,1082 -1.052,1083 12.182,1084 15.577,1085 6.501,1086 24.726,1087 11.579,1088 2.558,1089 8.336,1090 21.638,1091 4.634,1092 13.278,1093 17.011,1094 7.068,1095 27.154,1096 12.609,1097 2.316,1098 7.554,1099 23.519,1100 3.819,1101 14.455,1102 18.549,1103 7.771,1104 29.623,1105 13.726,1106 2.133,1107 6.968,1108 25.41,1109 3.498,1110 15.595,1111 20.032,1112 8.374,1113 32.074,1114 14.802,1115 1.864,1116 5.855,1117 27.309,1118 3.075,1119 16.768,1120 21.56,1121 9.051,1122 34.54,1123 15.914,1124 1.728,1125 5.421,1126 29.215,1127 2.783,1128 17.929,1129 23.067,1130 9.674,1131 37,1132 17.013,1133 6990,1134 12237,1135 19.592,1136 28.546,1137 44.201,1138 44.177,1139 44.222,1140 43.503,1141 43.47,1142 60.236,1143 4.912,1144 125.617,1145 41.345,1146 5.497,1147 5.535,1148 6.624,1149 5.308,1150 5.284,1151 7.634,1152 3.306,1153 18.989,1154 5.033,1155 11.336,1156 1.524,1157 1.523,1158 1.525,1159 1.5,1160 1.499,1161 2.077,1162 0.169,1163 4.332,1164 1.426,1165 4.147,1166 4.196,1167 4.124,1168 3.987,1169 7.43,1170 4.015,1171 3.865,1172 3.938,1173 3.812,1174 3.668,1175 5.121,1176 3.69,1177 3.833,1178 3.886,1179 3.792,1180 3.651,1181 4.998,1182 3.682,1183 3.522,1184 3.571,1185 3.432,1186 3.301,1187 4.894,1188 3.322,1189 3.364,1190 3.424,1191 3.281,1192 3.213,1193 4.338,1194 3.223,1195 3.136,1196 3.221,1197 2.956,1198 2.973,1199 4.097,1200 2.959,1201 2.922,1202 2.999,1203 2.811,1204 2.767,1205 3.917,1206 2.765,1207 2.796,1208 2.898,1209 2.674,1210 2.5,1211 3.751,1212 2.534,1213 0.162,1214 0.122,1215 0.239,1216 0.146,1217 0.113,1218 4.698,1219 0.16,1220 3.535,1221 0.066,1222 6.943,1223 0.406,1224 4.224,1225 0.107,1226 3.284,1227 4.634,1228 1.907,1229 11.779,1230 3.089,1231 1.921,1232 1.88,1233 2.006,1234 2.082,1235 1.102,1236 2.061,1237 1.781,1238 1.738,1239 1.88,1240 1.96,1241 0.91,1242 1.938,1243 1.535,1244 1.485,1245 1.708,1246 1.751,1247 0.725,1248 1.725,1249 1.444,1250 1.39,1251 1.665,1252 1.689,1253 0.714,1254 1.681,1255 1.367,1256 1.294,1257 1.562,1258 1.683,1259 0.631,1260 1.648,1261 1.215,1262 1.129,1263 1.447,1264 1.439,1265 0.43,1266 1.463,1267 1.089,1268 1.016,1269 1.25,1270 1.318,1271 0.224,1272 1.315,1273 0.928,1274 0.866,1275 1.102,1276 1.151,1277 0.18,1278 1.142,1279 4.078,1281 5.407,1282 3.045,1283 6.915,1284 5.352,1285 8.515,1286 7.424,1287 10.172,1289 3.217,1296 5.902,1305 27.993,1306 68.99,1307 159.442,1308 195.358,1309 216.968,1310 216.968,1311 216.968,1312 32.27,1313 7.498,1314 112.89,1315 112.89,1316 22,1317 12.629,1318 4.524,1319 3.644,1320 37.625,1321 81,1322 88,1323 0.22,1324 173.343,1325 280.01,1326 414.718,1327 17314,1329 18.096,1330 0.696,1331 0.546,1332 18.096,1333 14.186,1334 12.597,1335 0.434,1336 0.275,1337 7.827,1338 11.963,1339 7.627,1340 6.361,1341 12.597,1342 7.975,1343 11.736,1344 0.286,1345 0.139,1346 11.736,1347 5.689,1348 9.149,1349 0.169,1350 0.068,1351 9.149,1352 3.662,1353 8.569,1354 0.11,1355 0.035,1356 8.569,1357 2.712,1358 6.398,1359 0.067,1360 0.018,1361 6.398,1362 1.668,1363 0.332,1364 79.694,1365 0.226,1366 24.522,1367 0.65,1368 140,1369 438.96,1370 158.617,1371 428.648,1372 599.05,1373 402,1374 165,1375 464.637,1376 183.176,1377 465.319,1378 678.99,1379 439,1380 6.951}
{0 CHEMBL2172476,1 1.623,2 9.222,3 2.485,4 6.177,5 99.048,6 8.054,7 0.7,8 3.941,9 4.077,10 3.581,11 3.415,12 5.121,13 3.435,14 4.43,15 4.619,16 3.959,17 3.763,18 5.629,19 3.778,20 4.573,21 4.779,22 3.901,23 3.836,24 5.719,25 3.83,26 4.561,27 4.762,28 3.949,29 3.876,30 5.7,31 3.85,32 4.602,33 4.802,34 3.976,35 3.896,36 5.732,37 3.884,38 4.693,39 4.91,40 4.045,41 3.959,42 5.841,43 3.934,44 4.722,45 4.936,46 3.895,47 3.945,48 5.843,49 3.894,50 4.702,51 4.956,52 3.749,53 3.839,54 5.779,55 3.754,56 0.092,57 0.776,58 8.052,59 3.164,60 6.527,61 4.253,62 0.315,63 1.17,64 15.578,65 5.062,66 22.051,67 7.232,68 0.486,69 1.262,70 19.222,71 5.044,72 43.747,73 6.986,74 0.325,75 1.274,76 18.273,77 6.407,78 28.062,79 9.108,80 0.389,81 1.33,82 18.98,83 5.792,84 28.989,85 8.123,86 0.432,87 1.406,88 21.973,89 7.237,90 34.869,91 10.395,92 0.478,93 1.395,94 22.438,95 6.691,96 44.216,97 9.459,98 0.474,99 1.245,100 24.475,101 7.607,102 41.955,103 11.296,104 19,105 43,106 0.275,107 0.64,108 0.796,109 0.878,110 0.878,111 0.878,112 3.341,113 0.837,114 -4.93,115 -4.84,116 -4.54,119 40,120 2,124 1,142 5,146 1,147 3,149 1,151 2,152 1,158 1,161 1,166 1,172 2,174 2,175 10,178 4,180 3,183 1,186 1,187 3,190 2,198 3,199 5,202 2,204 3,207 2,211 3,212 4,215 1,217 2,220 2,223 4,224 7,227 2,228 1,229 1,232 4,236 2,237 7,242 2,245 4,249 2,250 6,253 2,255 3,258 2,262 1,263 3,266 1,271 2,275 1205,276 18.049,277 18.049,278 18.049,279 18.049,280 18.049,281 15.353,282 21.914,283 10.651,284 18.514,285 14.892,286 14.892,287 14.892,288 14.892,289 14.892,290 10.807,291 35.647,292 5.159,293 15.692,294 3.869,295 1.718,296 0.797,297 0.317,298 0.317,299 0.317,300 4.035,303 1,304 1,305 1,306 536,307 3.082,310 116.302,311 146.701,314 105.354,318 1.358,319 22.48,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 59,331 249,332 4.698,333 3.535,334 6.943,335 4.225,336 3.284,337 4.634,338 1.907,339 11.779,340 3.089,341 4.157,342 3.316,343 5.879,344 3.697,345 2.758,346 3.819,347 0.4,348 8.336,349 2.588,350 4.089,351 2.828,352 5.655,353 3.632,354 2.691,355 3.713,356 0.149,357 7.818,358 2.53,359 3.689,360 2.765,361 5.476,362 3.295,363 2.326,364 3.094,366 7.13,367 2.251,368 3.538,369 2.327,370 5.119,371 3.131,372 2.171,373 2.79,375 6.119,376 2.078,377 3.316,378 2.14,379 4.879,380 2.911,381 1.977,382 2.597,384 5.576,385 1.841,386 3.151,387 2.126,388 4.558,389 2.718,390 1.733,391 2.339,393 4.654,394 1.69,395 3.052,396 1.743,397 4.536,398 2.59,399 1.649,400 2.257,402 4.422,403 1.55,404 2.92,405 1.468,406 4.334,407 2.392,408 1.443,409 2.109,411 4.18,412 1.366,413 2.809,414 1.365,415 3.625,416 2.314,417 1.342,418 1.946,420 2.955,421 1.301,422 2.207,423 0.758,424 3.444,425 1.705,426 0.731,427 1.069,428 1.741,429 0.71,430 1.997,431 0.622,432 3.271,433 1.479,434 0.524,435 0.763,436 1.409,437 0.499,438 1.211,439 0.524,440 2.877,441 0.846,442 -0.076,443 -0.094,445 -0.22,446 -0.07,447 1.181,448 0.074,449 2.678,450 0.802,451 -0.15,452 -0.184,454 -0.415,455 -0.142,456 0.922,457 0.027,458 2.563,459 0.543,460 -0.413,461 -0.517,463 -1.046,464 -0.393,465 12.533,466 0.464,467 0.767,468 0.028,469 39.75,470 1.472,471 20.5,472 0.759,473 19.25,474 0.713,475 19.074,476 0.706,477 28.267,478 0.628,479 29.872,480 1.106,481 7.962,482 0.295,483 5.029,484 0.186,485 0.146,487 0.383,493 0.834,494 1.548,495 0.709,496 1.143,497 0.66,498 0.936,499 0.73,500 1.22,501 0.66,502 0.937,503 0.486,504 0.804,505 1.576,506 0.905,507 1.166,508 0.733,509 1.54,510 0.841,511 0.68,512 1.17,513 0.828,514 1.08,515 0.459,516 0.994,517 1.133,518 1.091,519 1.021,520 0.966,521 0.982,522 0.96,523 0.724,524 1.019,525 0.797,526 0.966,527 0.562,528 0.903,529 1.3,530 1.116,531 1.273,532 1.1,533 1.291,534 1.163,535 0.819,536 0.953,537 1.005,538 1.054,539 0.704,540 1.059,541 6.5,542 0.087,543 2,544 2.799,545 1.126,546 1.126,547 0.642,548 0.57,549 0.329,550 0.228,551 8032,552 23105,553 2.097,554 40,556 8,557 2,559 2,560 6,564 1.71,565 1.952,566 3.179,567 0.341,568 1,569 1,573 73.016,574 1.623,575 3.774,576 4.695,577 5.175,578 5.175,579 5.175,580 2.648,581 4.533,582 4.723,583 3.33,584 1168.72,585 8.25,586 14659.7,588 1,590 1,591 247.133,592 1.447,593 4.681,594 0.217,595 0.008,596 0.047,597 0.07,598 0.027,599 0.026,600 0.014,601 0.015,602 0.01,603 0.012,604 0.445,605 0.17,606 1,607 0.936,608 131.167,609 -0.042,610 -0.336,611 0.063,612 -0.145,613 -0.105,614 -0.043,615 0.201,616 -0.102,617 0.225,618 0.013,619 0.203,620 0.101,621 -0.382,622 0.196,623 -0.237,624 0.162,625 -0.38,626 0.021,627 0.141,628 -0.104,629 0.067,630 -0.085,631 0.189,632 -0.036,633 -0.147,634 0.014,635 -0.122,636 -0.031,637 -0.17,638 -0.063,639 0.171,640 0.015,641 0.138,642 0.013,643 0.196,644 0.058,645 -0.264,646 -0.072,647 -0.34,648 -0.153,649 -0.265,650 -0.241,651 0.092,652 -0.028,653 0.004,654 -0.061,655 0.168,656 -0.043,657 1.857,658 4.433,659 0.741,660 23.273,661 1.012,662 1.139,663 3.701,664 13.7,665 0.673,666 3.434,667 3.784,668 4.043,669 4.407,670 4.605,671 4.779,672 4.956,673 5.153,674 5.176,675 5.231,676 5.701,677 0.656,678 362.44,679 3.434,680 4.99,681 5.844,682 6.746,683 7.624,684 8.536,685 9.427,686 10.344,687 11.242,688 12.162,689 17.8,696 1,697 3,699 4,703 1,704 7,705 4,709 6,710 1,711 21,724 1,731 45,733 22,735 30,737 48,738 18,739 14,746 4,747 5,752 2,761 15,762 3,766 1,771 1,775 1,777 1,778 1,781 18,782 7,783 2,784 9,787 1,790 8,794 0.75,795 1,803 1,805 1,806 1,811 2,812 2,815 1,826 1,840 3,844 3,848 27,855 2,870 2.2,873 1,877 13.833,878 9.2,879 5.778,880 2.518,881 4.077,882 1.536,883 1.013,884 4.439,885 11.678,886 3.75,887 4.419,888 5.022,889 5.717,890 6.22,891 6.643,892 7.154,893 7.674,894 7.976,895 8.368,896 1,897 40,898 9.894,900 4.167,901 7.772,902 18.634,904 14.873,905 2.272,906 61.333,909 1,910 188.338,911 112.768,912 106.104,914 25.145,917 112.768,918 213.483,919 106.104,920 26.047,921 18.011,922 65.476,923 98.584,924 26.158,925 33.283,926 164.795,928 188.338,929 218.872,930 25.145,933 190.666,934 25.145,937 61.207,938 88.318,939 67.02,941 188.338,942 131.249,943 112.768,946 188.338,947 21.245,948 94.586,949 36.022,950 92.165,951 188.338,952 131.249,953 112.768,955 0.585,956 0.322,957 0.192,958 0.105,959 22,960 10,961 0.083,962 4,963 1,964 1.1,965 3.79,966 242.002,967 0.1,968 20,969 126.382,974 17.342,975 6.912,976 3.583,977 0.767,978 128.186,979 13.112,980 17.845,984 3.684,985 1.71,986 36.022,987 432.355,988 41.5,993 11.433,997 -0.191,999 45.56,1000 51.272,1001 0.295,1002 0.687,1003 0.855,1004 0.942,1005 0.942,1006 0.942,1007 4.985,1008 1.649,1009 5.844,1010 4.654,1011 4.466,1012 5.106,1013 1.997,1014 6.671,1015 4.36,1016 6.224,1017 1.443,1018 7.403,1019 4.422,1020 4.111,1021 4.997,1022 1.593,1023 7.567,1024 3.948,1025 7.547,1026 1.342,1027 9.059,1028 4.18,1029 6.066,1030 7.376,1031 2.907,1032 10.71,1033 5.841,1034 8.904,1035 0.731,1036 10.772,1037 2.955,1038 6.494,1039 8.084,1040 3.032,1041 12.498,1042 6.203,1043 10.292,1044 0.524,1045 12.527,1046 1.741,1047 7.956,1048 9.95,1049 4.038,1050 15.174,1051 7.607,1052 11.702,1053 -0.076,1054 14.312,1055 1.409,1056 8.768,1057 11.072,1058 4.409,1059 17.367,1060 8.351,1061 13.133,1062 -0.15,1063 16.122,1064 -0.22,1065 10.035,1066 12.723,1067 5.25,1068 19.892,1069 9.559,1070 3.284,1071 -0.413,1072 17.953,1073 -0.415,1074 11.037,1075 14.053,1076 5.75,1077 22.253,1078 10.493,1079 2.758,1080 11.779,1081 19.802,1082 -1.046,1083 12.231,1084 15.617,1085 6.501,1086 24.733,1087 11.628,1088 2.691,1089 8.336,1090 21.666,1091 4.634,1092 13.323,1093 17.048,1094 7.068,1095 27.158,1096 12.654,1097 2.326,1098 7.818,1099 23.543,1100 3.819,1101 14.495,1102 18.58,1103 7.771,1104 29.626,1105 13.766,1106 2.171,1107 7.13,1108 25.43,1109 3.713,1110 15.631,1111 20.06,1112 8.374,1113 32.077,1114 14.838,1115 1.977,1116 6.119,1117 27.326,1118 3.094,1119 16.8,1120 21.583,1121 9.051,1122 34.542,1123 15.946,1124 1.733,1125 5.576,1126 29.229,1127 2.79,1128 17.958,1129 23.087,1130 9.674,1131 37.002,1132 17.041,1133 7746,1134 13285,1135 19.997,1136 30.307,1137 46.043,1138 46.046,1139 46.658,1140 45.299,1141 45.259,1142 62.261,1143 4.912,1144 132.236,1145 42.986,1146 5.497,1147 5.535,1148 6.624,1149 5.308,1150 5.284,1151 7.634,1152 3.306,1153 18.989,1154 5.033,1155 13.534,1156 1.535,1157 1.535,1158 1.555,1159 1.51,1160 1.509,1161 2.075,1162 0.164,1163 4.408,1164 1.433,1165 4.148,1166 4.198,1167 4.125,1168 3.988,1169 7.43,1170 4.016,1171 3.902,1172 3.972,1173 3.853,1174 3.691,1175 5.111,1176 3.721,1177 3.833,1178 3.887,1179 3.793,1180 3.665,1181 4.945,1182 3.689,1183 3.522,1184 3.571,1185 3.432,1186 3.303,1187 4.888,1188 3.324,1189 3.378,1190 3.44,1191 3.292,1192 3.219,1193 4.337,1194 3.23,1195 3.147,1196 3.235,1197 2.964,1198 2.978,1199 4.097,1200 2.963,1201 3.068,1202 3.163,1203 2.874,1204 2.856,1205 3.918,1206 2.842,1207 2.918,1208 2.991,1209 2.804,1210 2.767,1211 3.851,1212 2.765,1213 0.157,1214 0.118,1215 0.231,1216 0.141,1217 0.109,1218 4.698,1219 0.154,1220 3.535,1221 0.064,1222 6.943,1223 0.393,1224 4.225,1225 0.103,1226 3.284,1227 4.634,1228 1.907,1229 11.779,1230 3.089,1231 1.921,1232 1.88,1233 2.006,1234 2.082,1235 1.102,1236 2.061,1237 1.781,1238 1.738,1239 1.88,1240 1.96,1241 0.91,1242 1.938,1243 1.549,1244 1.495,1245 1.751,1246 1.814,1247 0.801,1248 1.791,1249 1.494,1250 1.418,1251 1.707,1252 1.746,1253 0.722,1254 1.725,1255 1.433,1256 1.368,1257 1.629,1258 1.684,1259 0.69,1260 1.678,1261 1.266,1262 1.203,1263 1.52,1264 1.445,1265 0.587,1266 1.472,1267 1.116,1268 1.045,1269 1.33,1270 1.329,1271 0.393,1272 1.342,1273 0.928,1274 0.866,1275 1.109,1276 1.156,1277 0.18,1278 1.151,1279 4.111,1281 5.451,1282 3.045,1283 6.963,1284 5.416,1285 8.564,1286 7.516,1287 10.219,1289 5.076,1296 5.962,1305 29.52,1306 73.016,1307 169.833,1308 211.259,1309 232.869,1310 232.869,1311 232.869,1312 34.383,1313 7.601,1314 102.03,1315 102.03,1316 22,1317 12.675,1318 4.524,1319 3.644,1320 39.797,1321 87,1322 99,1323 0.216,1324 182.936,1325 297.31,1326 438.123,1327 19776,1329 18.966,1330 0.702,1331 0.56,1332 18.966,1333 15.133,1334 12.991,1335 0.433,1336 0.279,1337 8.208,1338 12.324,1339 7.942,1340 6.645,1341 12.991,1342 8.368,1343 12.369,1344 0.288,1345 0.142,1346 12.369,1347 6.104,1348 9.478,1349 0.169,1350 0.069,1351 9.478,1352 3.875,1353 8.862,1354 0.109,1355 0.035,1356 8.862,1357 2.864,1358 6.752,1359 0.068,1360 0.018,1361 6.752,1362 1.786,1363 0.328,1364 82.208,1365 0.224,1366 25.35,1367 0.633,1368 146,1369 450.272,1370 165.311,1371 439.429,1372 614.99,1373 412,1374 172,1375 478.929,1376 191.203,1377 480.61,1378 700.36,1379 452,1380 5.339}
{0 CHEMBL2172477,1 1.577,2 10.294,3 3.136,4 9.833,5 126.619,6 7.957,7 0.711,8 4.167,9 4.298,10 3.799,11 3.678,12 5.335,13 3.685,14 4.662,15 4.848,16 4.183,17 4.041,18 5.829,19 4.043,20 4.82,21 5.015,22 4.175,23 4.154,24 5.95,25 4.136,26 4.863,27 5.054,28 4.223,29 4.222,30 5.969,31 4.178,32 4.955,33 5.165,34 4.264,35 4.256,36 6.026,37 4.218,38 5.021,39 5.248,40 4.338,41 4.296,42 6.104,43 4.259,44 5.011,45 5.217,46 4.277,47 4.294,48 6.121,49 4.253,50 5.022,51 5.251,52 4.236,53 4.258,54 6.123,55 4.201,56 0.078,57 0.964,58 10.273,59 4.272,60 7.831,61 5.628,62 0.321,63 1.487,64 19.821,65 6.921,66 26.243,67 9.635,68 0.491,69 1.673,70 24.07,71 7.266,72 46.968,73 9.726,74 0.32,75 1.744,76 24.338,77 9.357,78 32.502,79 12.94,80 0.448,81 1.878,82 28.117,83 9.393,84 37.588,85 13.096,86 0.495,87 1.96,88 31.558,89 10.62,90 43.532,91 15.218,92 0.511,93 1.965,94 29.664,95 9.464,96 49.869,97 13.104,98 0.532,99 1.904,100 31.725,101 10.492,102 49.819,103 15.011,104 28,105 55,106 0.253,107 0.618,108 0.781,109 0.876,110 0.882,111 0.882,112 3.561,113 0.846,114 -5.31,115 -5.2,116 -4.86,119 42.1,120 3,124 1,142 6,143 2,145 1,146 2,147 3,149 1,151 2,152 1,158 1,161 1,166 1,172 5,174 2,175 13,178 4,180 3,183 5,186 1,187 6,190 2,195 5,198 3,199 7,202 2,204 3,207 6,211 4,212 8,215 1,217 2,220 4,223 4,224 9,227 2,228 1,229 2,232 5,236 3,237 10,242 3,245 5,249 3,250 11,253 3,255 6,258 6,262 1,263 6,266 1,268 1,271 4,275 2328,276 22.773,277 22.773,278 22.773,279 22.773,280 22.773,281 19.363,282 24.339,283 13.308,284 23.301,285 18.83,286 18.83,287 18.83,288 18.83,289 18.83,290 13.675,291 37.117,292 6.417,293 19.724,294 4.256,295 1.975,296 0.961,297 0.369,298 0.334,299 0.334,300 4.265,304 1,305 1,306 760,307 3.317,310 156.785,311 295.437,314 134.582,318 1.529,319 26.892,322 1,323 0.67,324 1,325 0.6,327 1,328 1,329 0.75,330 73.5,331 350,332 4.719,333 3.535,334 6.954,335 4.248,336 3.304,337 4.662,338 1.907,339 11.824,340 3.122,341 4.329,342 3.333,343 6.447,344 3.953,345 2.968,346 3.976,347 0.4,348 9.941,349 2.92,350 4.145,351 3.03,352 5.88,353 3.692,354 2.752,355 3.796,356 0.149,357 8.331,358 2.583,359 4.085,360 2.828,361 5.657,362 3.625,363 2.683,364 3.711,366 7.822,367 2.524,368 3.706,369 2.756,370 5.48,371 3.302,372 2.334,373 3.14,375 7.155,376 2.257,377 3.558,378 2.365,379 5.139,380 3.156,381 2.192,382 2.831,384 6.181,385 2.108,386 3.387,387 2.14,388 5.016,389 2.937,390 1.989,391 2.719,393 5.67,394 1.886,395 3.265,396 2.127,397 4.878,398 2.875,399 1.934,400 2.501,402 5.532,403 1.812,404 3.151,405 2.037,406 4.554,407 2.718,408 1.732,409 2.338,411 4.604,412 1.69,413 2.966,414 1.682,415 4.539,416 2.509,417 1.575,418 2.148,420 4.42,421 1.469,422 2.919,423 1.495,424 4.335,425 2.403,426 1.44,427 2.101,428 4.189,429 1.398,430 2.861,431 1.461,432 3.914,433 2.388,434 1.414,435 2.017,436 3.133,437 1.36,438 2.611,439 1.13,440 3.585,441 2.086,442 1.123,443 1.664,445 2.788,446 1.079,447 2.207,448 0.758,449 3.521,450 1.705,451 0.731,452 1.07,454 1.744,455 0.71,456 2.037,457 0.627,458 3.273,459 1.521,460 0.563,461 0.822,463 1.56,464 0.538,465 15.933,466 0.469,467 0.976,468 0.029,469 50.25,470 1.478,471 26.5,472 0.779,473 23.75,474 0.699,475 27.224,476 0.801,477 35.067,478 0.615,479 41.183,480 1.211,481 9.98,482 0.294,483 6.388,484 0.188,485 0.146,487 0.395,493 0.818,494 1.458,495 0.717,496 1.099,497 0.676,498 0.922,499 0.743,500 1.149,501 0.659,502 0.884,503 0.503,504 0.774,505 1.517,506 0.92,507 1.133,508 0.782,509 1.48,510 0.868,511 0.677,512 1.195,513 0.907,514 1.153,515 0.485,516 1.081,517 1.007,518 1.052,519 0.987,520 0.985,521 0.895,522 0.976,523 0.746,524 0.994,525 0.763,526 0.891,527 0.536,528 0.835,529 1.25,530 1.128,531 1.139,532 1.03,533 1.2,534 1.055,535 0.867,536 1.027,537 0.959,538 1.016,539 0.69,540 1,541 8,542 0.239,543 3.111,544 3.361,545 1.459,546 1.57,547 0.976,548 0.86,549 0.474,550 0.475,551 15238,552 41848,553 2.109,554 40.4,556 9,557 2,558 1,559 2,560 9,564 1.77,565 1.962,566 3.329,567 0.235,569 1,573 89.864,574 1.577,575 3.858,576 4.872,577 5.464,578 5.499,579 5.499,580 2.735,581 4.793,582 5.055,583 3.533,584 1981.74,585 8.926,586 29509.4,588 1,591 332.475,592 1.449,593 5.014,594 0.211,595 0.006,596 0.057,597 0.062,598 0.026,599 0.027,600 0.015,601 0.015,602 0.009,603 0.011,604 0.438,605 0.17,606 0.88,607 0.856,608 178.416,609 -0.019,610 -0.272,611 0.065,612 -0.11,613 -0.099,614 -0.028,615 0.196,616 -0.039,617 0.231,618 0.072,619 0.203,620 0.141,621 -0.339,622 0.2,623 -0.218,624 0.134,625 -0.349,626 0.006,627 0.115,628 -0.133,629 -0.022,630 -0.152,631 0.139,632 -0.119,633 -0.056,634 0.012,635 -0.06,636 -0.028,637 -0.13,638 -0.041,639 0.159,640 0.02,641 0.199,642 0.087,643 0.198,644 0.139,645 -0.192,646 -0.059,647 -0.209,648 -0.086,649 -0.201,650 -0.139,651 0.087,652 -0.023,653 0.01,654 -0.043,655 0.163,656 -0.03,657 1.872,658 4.661,659 0.765,660 35.941,661 1.008,662 1.133,663 4.084,664 16.682,665 0.681,666 3.664,667 4.025,668 4.304,669 4.654,670 4.883,671 5.081,672 5.313,673 5.561,674 5.687,675 5.849,676 6.626,677 0.66,678 453.56,679 3.664,680 5.231,681 6.094,682 6.999,683 7.883,684 8.796,685 9.692,686 10.611,687 11.516,688 12.438,689 15.8,696 1,697 3,699 5,703 1,704 9,705 5,709 9,710 1,711 27,724 1,731 57,733 28,735 38,737 61,738 24,739 19,746 5,747 6,752 3,761 20,762 4,766 1,771 1,775 1,778 1,781 23,782 8,783 2,784 10,787 1,790 9,794 0.8,795 1,803 1,805 2,806 1,811 2,812 3,815 1,826 1,840 4,844 4,848 34,855 2,870 1.8,873 1,877 17.333,878 11.817,879 7.25,880 3.259,881 4.356,882 1.523,883 1.021,884 5.659,885 12.681,886 3.98,887 4.659,888 5.278,889 5.965,890 6.515,891 6.972,892 7.544,893 8.116,894 8.544,895 9.031,896 0.857,897 54,898 12.479,900 5.287,901 7.716,902 23.657,904 19.119,905 2.216,906 75.333,909 1,910 247.193,911 149.245,912 122.89,914 25.145,917 149.245,918 272.338,919 122.89,920 34.872,921 18.011,922 74.952,923 127.141,924 44.334,925 33.283,926 211.88,928 247.193,929 272.134,930 25.145,933 249.521,934 25.145,937 81.836,938 104.165,939 83.805,941 247.193,942 148.035,943 149.245,946 247.193,947 30.373,948 121.935,949 36.022,950 108.95,951 247.193,952 148.035,953 149.245,955 0.589,956 0.331,957 0.191,958 0.103,959 28,960 13,961 0.082,962 5,963 1,964 1.077,965 4.32,966 341.255,967 0.077,968 26,969 172.974,974 21.899,975 8.787,976 4.474,977 0.732,978 144.972,979 17.19,980 22.653,984 6.487,985 1.713,986 36.022,987 544.473,988 52.5,993 11.661,997 -0.205,999 57.429,1000 64.601,1001 0.27,1002 0.661,1003 0.835,1004 0.937,1005 0.943,1006 0.943,1007 5.224,1008 1.934,1009 6.098,1010 5.67,1011 4.71,1012 5.347,1013 1.997,1014 6.936,1015 4.618,1016 6.468,1017 1.732,1018 7.668,1019 5.532,1020 4.369,1021 5.239,1022 1.593,1023 7.856,1024 4.237,1025 7.795,1026 1.575,1027 9.334,1028 4.604,1029 6.326,1030 7.621,1031 2.907,1032 10.993,1033 6.139,1034 9.156,1035 1.44,1036 11.057,1037 4.42,1038 6.77,1039 8.32,1040 3.032,1041 12.777,1042 6.541,1043 10.546,1044 1.414,1045 12.819,1046 4.189,1047 8.229,1048 10.188,1049 4.038,1050 15.444,1051 7.949,1052 11.959,1053 1.123,1054 14.61,1055 3.133,1056 9.048,1057 11.291,1058 4.409,1059 17.614,1060 8.723,1061 13.391,1062 0.731,1063 16.424,1064 2.788,1065 10.311,1066 12.943,1067 5.25,1068 20.125,1069 9.937,1070 3.304,1071 0.563,1072 18.256,1073 1.744,1074 11.312,1075 14.254,1076 5.75,1077 22.461,1078 10.889,1079 2.968,1080 11.824,1081 20.103,1082 1.56,1083 12.501,1084 15.816,1085 6.501,1086 24.926,1087 12.03,1088 2.752,1089 9.941,1090 21.964,1091 4.662,1092 13.589,1093 17.232,1094 7.068,1095 27.332,1096 13.066,1097 2.683,1098 8.331,1099 23.835,1100 3.976,1101 14.755,1102 18.761,1103 7.771,1104 29.787,1105 14.182,1106 2.334,1107 7.822,1108 25.715,1109 3.796,1110 15.885,1111 20.23,1112 8.374,1113 32.223,1114 15.259,1115 2.192,1116 7.155,1117 27.603,1118 3.711,1119 17.048,1120 21.751,1121 9.051,1122 34.679,1123 16.369,1124 1.989,1125 6.181,1126 29.497,1127 3.14,1128 18.199,1129 23.248,1130 9.674,1131 37.13,1132 17.466,1133 14441,1134 24114,1135 25.372,1136 38.836,1137 58.443,1138 58.298,1139 59.643,1140 57.499,1141 57.503,1142 79.036,1143 4.912,1144 169.884,1145 54.948,1146 5.518,1147 5.535,1148 6.639,1149 5.331,1150 5.304,1151 7.662,1152 3.306,1153 19.051,1154 5.077,1155 17.629,1156 1.538,1157 1.534,1158 1.57,1159 1.513,1160 1.513,1161 2.08,1162 0.129,1163 4.471,1164 1.446,1165 4.168,1166 4.214,1167 4.147,1168 4.028,1169 7.43,1170 4.051,1171 3.914,1172 3.978,1173 3.866,1174 3.78,1175 5.114,1176 3.794,1177 3.877,1178 3.925,1179 3.835,1180 3.685,1181 4.945,1182 3.716,1183 3.802,1184 3.856,1185 3.756,1186 3.633,1187 4.91,1188 3.657,1189 3.518,1190 3.567,1191 3.427,1192 3.294,1193 4.837,1194 3.316,1195 3.35,1196 3.41,1197 3.275,1198 3.205,1199 4.286,1200 3.215,1201 3.169,1202 3.256,1203 2.969,1204 3.021,1205 4.097,1206 2.997,1207 3.147,1208 3.235,1209 2.959,1210 2.976,1211 3.919,1212 2.961,1213 0.124,1214 0.093,1215 0.183,1216 0.112,1217 0.087,1218 4.719,1219 0.123,1220 3.535,1221 0.05,1222 6.954,1223 0.311,1224 4.248,1225 0.082,1226 3.304,1227 4.662,1228 1.907,1229 11.824,1230 3.122,1231 1.987,1232 1.956,1233 2.063,1234 2.113,1235 1.195,1236 2.098,1237 1.825,1238 1.784,1239 1.911,1240 1.991,1241 0.983,1242 1.971,1243 1.711,1244 1.666,1245 1.831,1246 1.878,1247 0.873,1248 1.867,1249 1.549,1250 1.495,1251 1.751,1252 1.814,1253 0.801,1254 1.791,1255 1.494,1256 1.418,1257 1.707,1258 1.746,1259 0.721,1260 1.725,1261 1.433,1262 1.368,1263 1.629,1264 1.683,1265 0.689,1266 1.678,1267 1.265,1268 1.203,1269 1.551,1270 1.445,1271 0.602,1272 1.472,1273 1.208,1274 1.128,1275 1.518,1276 1.418,1277 0.585,1278 1.469,1279 4.344,1281 5.694,1282 3.045,1283 7.22,1284 5.416,1285 8.835,1286 7.516,1287 10.501,1289 7.067,1296 6.057,1305 37.595,1306 89.864,1307 219.906,1308 277.681,1309 311.455,1310 313.455,1311 313.455,1312 46.789,1313 8.326,1314 114.92,1315 114.92,1316 28,1317 12.949,1318 4.858,1319 3.954,1320 49.442,1321 126,1322 141,1323 0.181,1324 231.108,1325 380.93,1326 555.664,1327 46137,1329 23.819,1330 0.701,1331 0.566,1332 23.819,1333 19.235,1334 16.368,1335 0.431,1336 0.282,1337 10.54,1338 15.63,1339 10.165,1340 8.501,1341 16.368,1342 10.716,1343 15.584,1344 0.283,1345 0.145,1346 15.584,1347 7.958,1348 12.382,1349 0.17,1350 0.072,1351 12.382,1352 5.281,1353 11.327,1354 0.109,1355 0.037,1356 11.327,1357 3.862,1358 8.813,1359 0.067,1360 0.019,1361 8.813,1362 2.46,1363 0.275,1364 102.925,1365 0.199,1366 30.754,1367 0.525,1368 186,1369 545.917,1370 207.031,1371 536.6,1372 755.08,1373 504,1374 221,1375 588.394,1376 242.035,1377 594.135,1378 866.73,1379 559,1380 5.368}
{0 CHEMBL2172479,1 1.683,2 9.531,3 2.193,4 4.807,5 114.771,6 8.421,7 0.722,8 4.084,9 4.207,10 3.761,11 3.554,12 5.294,13 3.59,14 4.573,15 4.745,16 4.144,17 3.915,18 5.797,19 3.947,20 4.69,21 4.876,22 4.075,23 3.989,24 5.853,25 3.992,26 4.73,27 4.916,28 4.156,29 4.055,30 5.885,31 4.042,32 4.797,33 4.99,34 4.197,35 4.091,36 5.925,37 4.089,38 4.865,39 5.07,40 4.282,41 4.148,42 6.025,43 4.141,44 4.89,45 5.084,46 4.207,47 4.15,48 6.061,49 4.13,50 4.906,51 5.131,52 4.138,53 4.092,54 6.036,55 4.055,56 0.139,57 0.881,58 8.244,59 3.626,60 7.853,61 4.418,62 0.455,63 1.336,64 16.729,65 5.781,66 27.363,67 7.525,68 0.562,69 1.439,70 19.517,71 6.024,72 46.822,73 7.378,74 0.484,75 1.504,76 20.223,77 7.6,78 32.934,79 10.048,80 0.544,81 1.613,82 21.803,83 7.198,84 35.82,85 9.338,86 0.576,87 1.688,88 24.676,89 8.606,90 40.734,91 11.772,92 0.677,93 1.715,94 23.992,95 7.767,96 51.657,97 10.115,98 0.664,99 1.616,100 27.799,101 9.088,102 49.225,103 12.503,104 19,105 52,106 0.275,107 0.668,108 0.825,109 0.883,110 0.883,111 0.883,112 3.503,113 0.814,114 -4.83,115 -4.74,116 -4.45,119 41.2,120 2,124 1,142 4,143 1,145 1,146 1,147 3,149 1,151 2,152 2,158 1,160 1,161 1,166 1,172 2,174 3,175 11,178 4,180 3,183 1,186 1,187 5,190 2,198 4,199 7,202 2,204 3,207 2,211 4,212 5,215 1,217 2,220 2,223 5,224 7,227 2,228 1,229 1,232 4,236 4,237 8,240 1,242 2,245 4,249 3,250 7,253 3,255 3,258 2,262 3,263 5,266 2,271 2,275 1992,276 21.566,277 21.566,278 21.566,279 21.566,280 21.566,281 18.338,282 21.914,283 12.65,284 22.087,285 17.863,286 17.863,287 17.863,288 17.863,289 17.863,290 12.953,291 35.647,292 6.123,293 18.744,294 3.99,295 1.594,296 0.633,297 0.28,298 0.28,299 0.28,300 4.208,304 1,305 1,306 667,307 3.24,310 231.368,311 175.674,314 126.72,318 1.436,319 29.169,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 70.5,331 305,332 4.716,333 3.535,334 6.952,335 4.244,336 3.301,337 4.66,338 1.907,339 11.819,340 3.113,341 4.231,342 3.33,343 6.164,344 3.838,345 2.856,346 3.876,347 0.4,348 9.14,349 2.81,350 4.121,351 2.873,352 5.847,353 3.683,354 2.741,355 3.736,356 0.149,357 8.255,358 2.577,359 4.066,360 2.828,361 5.65,362 3.609,363 2.662,364 3.688,366 7.793,367 2.512,368 3.671,369 2.709,370 5.473,371 3.276,372 2.305,373 3.081,375 7.106,376 2.234,377 3.535,378 2.29,379 5.12,380 3.117,381 2.159,382 2.799,384 6.12,385 2.063,386 3.331,387 2.14,388 4.881,389 2.911,390 1.977,391 2.658,393 5.581,394 1.843,395 3.206,396 2.126,397 4.582,398 2.734,399 1.778,400 2.456,402 4.768,403 1.697,404 3.151,405 1.813,406 4.55,407 2.716,408 1.731,409 2.338,411 4.49,412 1.687,413 2.951,414 1.636,415 4.432,416 2.49,417 1.552,418 2.134,420 4.334,421 1.452,422 2.919,423 1.46,424 4.334,425 2.387,426 1.44,427 2.096,428 4.148,429 1.359,430 2.376,431 0.904,432 3.521,433 1.858,434 0.901,435 1.318,436 2.113,437 0.859,438 2.207,439 0.758,440 3.308,441 1.705,442 0.73,443 1.069,445 1.744,446 0.71,447 2.118,448 0.622,449 3.271,450 1.581,451 0.618,452 0.927,454 1.502,455 0.594,456 2.01,457 0.618,458 3,459 1.489,460 0.533,461 0.78,463 1.372,464 0.508,465 14.767,466 0.461,467 0.886,468 0.028,469 47.75,470 1.492,471 24.5,472 0.766,473 23.25,474 0.727,475 23.782,476 0.743,477 33.233,478 0.652,479 38.155,480 1.192,481 9.56,482 0.299,483 5.897,484 0.184,485 0.124,487 0.393,493 0.868,494 1.532,495 0.668,496 1.149,497 0.669,498 0.91,499 0.832,500 1.121,501 0.664,502 0.864,503 0.545,504 0.747,505 1.386,506 0.962,507 1.152,508 0.828,509 1.47,510 0.905,511 0.739,512 1.144,513 0.844,514 1.06,515 0.507,516 0.993,517 1.039,518 1.055,519 0.991,520 0.949,521 0.95,522 0.944,523 0.677,524 1.039,525 0.732,526 0.949,527 0.541,528 0.865,529 1.087,530 1.121,531 1.169,532 1.062,533 1.197,534 1.108,535 0.885,536 0.992,537 0.944,538 1.022,539 0.708,540 0.999,541 7.5,542 0.211,543 2.667,544 2.764,545 1.327,546 1.473,547 0.86,548 0.677,549 0.477,550 0.346,551 13131,552 39541,553 2.135,554 37.3,556 7,557 2,558 2,559 2,560 6,564 1.755,565 2,566 3.252,567 0.301,568 1,569 1,573 85.815,574 1.683,575 4.079,576 5.04,577 5.393,578 5.393,579 5.393,580 2.664,581 4.625,582 4.967,583 3.463,584 1717.58,585 8.75,586 24535.4,588 1,590 1,591 289.294,592 1.406,593 4.933,594 0.208,595 0.007,596 0.051,597 0.058,598 0.026,599 0.027,600 0.015,601 0.013,602 0.01,603 0.009,604 0.423,605 0.17,606 0.88,607 0.844,608 164.578,609 -0.072,610 -0.346,611 0.065,612 -0.167,613 -0.097,614 -0.047,615 0.12,616 -0.012,617 0.2,618 0.08,619 0.173,620 0.141,621 -0.345,622 0.139,623 -0.267,624 0.092,625 -0.372,626 -0.036,627 0.093,628 -0.09,629 0.04,630 -0.064,631 0.145,632 -0.037,633 -0.137,634 0.031,635 -0.101,636 -0.009,637 -0.176,638 -0.037,639 0.16,640 -0.009,641 0.196,642 0.035,643 0.205,644 0.106,645 -0.134,646 -0.05,647 -0.269,648 -0.124,649 -0.215,650 -0.204,651 0.049,652 -0.03,653 0.052,654 -0.033,655 0.151,656 0.003,657 1.883,658 4.593,659 0.781,660 32.25,661 1.019,662 1.137,663 3.598,664 12.946,665 0.682,666 3.611,667 3.97,668 4.248,669 4.605,670 4.804,671 5.037,672 5.257,673 5.501,674 5.624,675 5.756,676 6.35,677 0.672,678 429.49,679 3.611,680 5.176,681 6.038,682 6.942,683 7.826,684 8.739,685 9.635,686 10.554,687 11.458,688 12.381,689 17.6,696 1,697 3,699 5,703 1,704 8,705 5,707 1,709 8,710 1,711 26,724 1,731 51,733 27,735 36,737 55,738 21,739 17,746 5,747 6,752 2,761 18,762 3,766 1,771 1,775 1,778 1,781 19,782 9,783 2,784 11,787 1,790 9,794 0.8,795 2,799 1,803 1,805 1,806 1,811 3,812 2,815 1,826 1,840 4,844 3,848 32,855 2,870 3.9,873 1,875 1,877 16,878 10.4,879 6.806,880 2.839,881 4.16,882 1.51,883 1.025,884 5.113,885 12.311,886 3.932,887 4.608,888 5.229,889 5.922,890 6.417,891 6.928,892 7.492,893 8.06,894 8.479,895 8.934,896 1,897 48,898 11.723,900 4.998,901 7.786,902 22.003,904 17.725,905 2.286,906 73.167,910 200.109,911 132.284,912 122.89,914 34.652,917 132.284,918 234.761,919 122.89,920 26.047,921 18.011,922 56,923 150.223,924 47.899,925 38.732,926 153.024,928 200.109,929 255.174,930 34.652,933 202.437,934 34.652,937 81.565,938 87.476,939 83.805,941 200.109,942 157.542,943 132.284,946 200.109,947 29.88,948 105.468,949 36.022,950 118.457,951 200.109,952 157.542,953 132.284,955 0.587,956 0.328,957 0.191,958 0.099,959 27,960 12,961 0.091,962 5,963 1,964 1.08,965 4.216,966 313.91,967 0.08,968 25,969 160,974 20.215,975 8.094,976 4.104,977 0.694,978 154.479,979 14.119,980 22.046,982 5.455,984 4.841,985 1.698,986 36.022,987 489.935,988 50,993 11.593,997 -0.216,999 51.989,1000 57.98,1001 0.297,1002 0.719,1003 0.888,1004 0.951,1005 0.951,1006 0.951,1007 5.173,1008 1.778,1009 6.038,1010 5.581,1011 4.654,1012 5.296,1013 1.997,1014 6.87,1015 4.559,1016 6.413,1017 1.731,1018 7.601,1019 4.768,1020 4.29,1021 5.165,1022 1.593,1023 7.769,1024 4.156,1025 7.737,1026 1.552,1027 9.26,1028 4.49,1029 6.263,1030 7.565,1031 2.907,1032 10.905,1033 6.07,1034 9.095,1035 1.44,1036 10.976,1037 4.334,1038 6.698,1039 8.267,1040 3.032,1041 12.678,1042 6.462,1043 10.484,1044 0.901,1045 12.731,1046 4.148,1047 8.156,1048 10.125,1049 4.038,1050 15.341,1051 7.864,1052 11.895,1053 0.73,1054 14.515,1055 2.113,1056 8.969,1057 11.239,1058 4.409,1059 17.51,1060 8.628,1061 13.325,1062 0.618,1063 16.323,1064 1.744,1065 10.228,1066 12.879,1067 5.25,1068 20.022,1069 9.834,1070 3.301,1071 0.533,1072 18.149,1073 1.502,1074 11.226,1075 14.201,1076 5.75,1077 22.364,1078 10.776,1079 2.856,1080 11.819,1081 19.991,1082 1.372,1083 12.412,1084 15.756,1085 6.501,1086 24.833,1087 11.909,1088 2.741,1089 9.14,1090 21.847,1091 4.66,1092 13.498,1093 17.18,1094 7.068,1095 27.247,1096 12.937,1097 2.662,1098 8.255,1099 23.715,1100 3.876,1101 14.664,1102 18.707,1103 7.771,1104 29.709,1105 14.046,1106 2.305,1107 7.793,1108 25.593,1109 3.736,1110 15.794,1111 20.183,1112 8.374,1113 32.153,1114 15.116,1115 2.159,1116 7.106,1117 27.479,1118 3.688,1119 16.958,1120 21.704,1121 9.051,1122 34.615,1123 16.221,1124 1.977,1125 6.12,1126 29.373,1127 3.081,1128 18.111,1129 23.206,1130 9.674,1131 37.073,1132 17.313,1133 12367,1134 21636,1135 24.274,1136 34.767,1137 55.554,1138 55.226,1139 55.593,1140 54.607,1141 54.572,1142 75.233,1143 4.912,1144 160.572,1145 52.041,1146 5.516,1147 5.535,1148 6.549,1149 5.327,1150 5.301,1151 7.66,1152 3.306,1153 19.04,1154 5.075,1155 15.18,1156 1.543,1157 1.534,1158 1.544,1159 1.517,1160 1.516,1161 2.09,1162 0.136,1163 4.46,1164 1.446,1165 4.166,1166 4.211,1167 4.145,1168 4.011,1169 7.43,1170 4.04,1171 3.91,1172 3.976,1173 3.863,1174 3.713,1175 5.207,1176 3.741,1177 3.863,1178 3.906,1179 3.828,1180 3.679,1181 5.075,1182 3.709,1183 3.768,1184 3.805,1185 3.732,1186 3.534,1187 4.945,1188 3.579,1189 3.516,1190 3.566,1191 3.425,1192 3.285,1193 4.871,1194 3.309,1195 3.326,1196 3.387,1197 3.248,1198 3.167,1199 4.268,1200 3.179,1201 3.146,1202 3.235,1203 2.964,1204 2.972,1205 4.097,1206 2.959,1207 3.06,1208 3.151,1209 2.872,1210 2.853,1211 3.917,1212 2.839,1213 0.131,1214 0.098,1215 0.193,1216 0.118,1217 0.092,1218 4.716,1219 0.129,1220 3.535,1221 0.053,1222 6.952,1223 0.328,1224 4.244,1225 0.086,1226 3.301,1227 4.66,1228 1.907,1229 11.819,1230 3.113,1231 1.939,1232 1.904,1233 2.004,1234 2.09,1235 1.138,1236 2.065,1237 1.791,1238 1.75,1239 1.88,1240 1.966,1241 0.923,1242 1.942,1243 1.549,1244 1.495,1245 1.751,1246 1.814,1247 0.801,1248 1.791,1249 1.494,1250 1.419,1251 1.708,1252 1.746,1253 0.722,1254 1.725,1255 1.434,1256 1.37,1257 1.629,1258 1.685,1259 0.693,1260 1.678,1261 1.313,1262 1.277,1263 1.521,1264 1.521,1265 0.59,1266 1.491,1267 1.264,1268 1.202,1269 1.429,1270 1.501,1271 0.46,1272 1.47,1273 1.173,1274 1.135,1275 1.333,1276 1.441,1277 0.393,1278 1.44,1279 4.29,1281 5.638,1282 3.434,1283 7.154,1284 5.733,1285 8.757,1286 7.774,1287 10.413,1289 5.041,1296 5.991,1305 34.256,1306 85.815,1307 208.009,1308 257.029,1309 275.029,1310 275.029,1311 275.029,1312 42.147,1313 8.15,1314 128.06,1315 128.06,1316 27,1317 12.892,1318 4.807,1319 3.907,1320 45.186,1321 113,1322 129,1323 0.184,1324 209.255,1325 340.46,1326 502.342,1327 36976,1329 22.242,1330 0.695,1331 0.549,1332 22.242,1333 17.566,1334 15.458,1335 0.429,1336 0.271,1337 9.567,1338 14.595,1339 9.293,1340 7.745,1341 15.458,1342 9.774,1343 14.703,1344 0.283,1345 0.138,1346 14.703,1347 7.187,1348 11.665,1349 0.169,1350 0.068,1351 11.665,1352 4.68,1353 10.75,1354 0.109,1355 0.035,1356 10.75,1357 3.417,1358 7.982,1359 0.066,1360 0.017,1361 7.982,1362 2.117,1363 0.279,1364 98.415,1365 0.203,1366 29.26,1367 0.536,1368 176,1369 567.653,1370 200.352,1371 547.747,1372 764.89,1373 514,1374 209,1375 593.406,1376 233.578,1377 594.849,1378 867.65,1379 558,1380 5.499}
{0 CHEMBL2172480,1 1.528,2 9.467,3 2.612,4 6.824,5 110.304,6 8.302,7 0.794,8 4.021,9 4.16,10 3.687,11 3.524,12 5.229,13 3.547,14 4.488,15 4.666,16 4.069,17 3.894,18 5.697,19 3.904,20 4.631,21 4.831,22 4.054,23 3.985,24 5.744,25 3.975,26 4.667,27 4.851,28 4.093,29 4.035,30 5.808,31 4.008,32 4.779,33 4.995,34 4.12,35 4.063,36 5.869,37 4.037,38 4.817,39 5.048,40 4.168,41 4.082,42 5.922,43 4.059,44 4.781,45 4.998,46 4.069,47 4.054,48 5.903,49 4.02,50 4.731,51 4.965,52 3.933,53 3.954,54 5.838,55 3.895,56 0.107,57 0.866,58 8.076,59 3.232,60 10.399,61 4.119,62 0.306,63 1.313,64 14.926,65 5.583,66 25.383,67 7.459,68 0.394,69 1.439,70 18.391,71 5.832,72 28.502,73 7.771,74 0.306,75 1.499,76 18.004,77 7.038,78 25.259,79 9.411,80 0.422,81 1.602,82 22.463,83 7.29,84 34.695,85 10.1,86 0.484,87 1.639,88 24.762,89 7.811,90 37.068,91 11.074,92 0.421,93 1.59,94 22.361,95 7.02,96 36.5,97 9.649,98 0.407,99 1.446,100 22.538,101 7.435,102 39.893,103 10.499,104 10,105 49,106 0.253,107 0.654,108 0.811,109 0.879,110 0.886,111 0.886,112 3.442,113 0.819,114 -5.33,115 -5.21,116 -4.87,119 41.7,120 2,142 5,143 2,145 1,146 1,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 5,174 4,175 9,177 2,178 4,180 2,183 5,186 2,187 5,190 1,191 1,195 5,198 3,199 5,201 1,202 3,204 2,207 4,209 1,211 3,212 10,214 1,215 2,217 2,220 2,223 3,224 9,226 1,227 3,228 1,229 2,231 1,232 1,236 1,237 8,240 2,242 4,245 4,247 2,249 3,250 9,252 1,253 2,255 7,258 4,260 3,263 2,266 1,267 1,268 3,270 1,271 2,273 1,275 1558,276 20.463,277 20.463,278 20.463,279 20.463,280 20.463,281 17.233,282 17.5,283 12.018,284 21.046,285 16.847,286 16.847,287 16.847,288 16.847,289 16.847,290 12.041,291 24.859,292 5.775,293 17.819,294 4.057,295 1.64,296 0.69,297 0.281,298 0.24,299 0.24,300 4.15,304 1,305 1,306 628,307 2.55,310 135.464,311 250.41,314 113.97,318 1.502,319 22.318,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 65,331 284,332 4.718,333 3.334,334 6.953,335 4.242,336 3.302,337 4.662,338 0.4,339 11.822,340 3.108,341 4.327,342 3.029,343 6.447,344 3.95,345 2.966,346 3.974,348 9.94,349 2.911,350 4.111,351 2.795,352 5.856,353 3.609,354 2.691,355 3.776,357 8.162,358 2.47,359 3.938,360 2.667,361 5.559,362 3.493,363 2.552,364 3.497,366 7.497,367 2.4,368 3.644,369 2.305,370 5.291,371 3.188,372 2.233,373 3.103,375 6.618,376 2.13,377 3.397,378 2.091,379 5.055,380 2.934,381 1.984,382 2.761,384 5.821,385 1.882,386 3.232,387 2.041,388 4.906,389 2.796,390 1.879,391 2.481,393 5.319,394 1.721,395 3.162,396 1.88,397 4.618,398 2.714,399 1.783,400 2.402,402 4.963,403 1.655,404 2.925,405 1.496,406 4.53,407 2.403,408 1.444,409 2.125,411 4.264,412 1.398,413 2.862,414 1.455,415 3.916,416 2.381,417 1.414,418 2.018,420 3.137,421 1.35,422 2.628,423 1.217,424 3.586,425 2.116,426 1.168,427 1.687,428 2.799,429 1.105,430 2.552,431 1.113,432 3.572,433 2.043,434 1.094,435 1.575,436 2.538,437 1.035,438 2.118,439 0.618,440 3.376,441 1.604,442 0.618,443 0.927,445 1.557,446 0.609,447 2.037,448 0.571,449 3,450 1.514,451 0.563,452 0.821,454 1.372,455 0.534,456 1.295,457 0.139,458 2.876,459 0.933,460 -0.009,461 -0.011,463 -0.023,464 -0.008,465 14,466 0.467,467 0.763,468 0.025,469 46.5,470 1.55,471 25,472 0.833,473 21.5,474 0.717,475 21.254,476 0.708,477 30.4,478 0.633,479 35.115,480 1.17,481 9.196,482 0.307,483 5.385,484 0.18,485 0.1,487 0.386,493 1.017,494 1.387,495 0.708,496 0.998,497 1.087,498 0.832,499 0.683,500 1.064,501 0.657,502 0.919,503 0.509,504 0.808,505 1.254,506 0.935,507 1.004,508 0.816,509 1.192,510 0.854,511 0.784,512 1.182,513 0.946,514 1.197,515 0.659,516 1.12,517 1.055,518 1.076,519 0.976,520 0.999,521 1.146,522 0.977,523 0.923,524 0.943,525 0.815,526 0.841,527 0.659,528 0.813,529 1.247,530 1.101,531 1.126,532 1.041,533 1.199,534 1.057,535 0.954,536 1.061,537 1.062,538 1.122,539 0.974,540 1.114,541 6,542 0.099,543 2.889,544 2.764,545 1.294,546 1.261,547 0.881,548 0.569,549 0.336,550 0.298,551 11148,552 30939,553 2.165,554 37.5,556 5,557 2,558 1,559 4,560 6,564 1.737,565 2.045,566 3.216,567 1.697,568 1,569 1,573 73.362,574 1.528,575 3.945,576 4.895,577 5.304,578 5.345,579 5.345,580 2.641,581 4.507,582 4.877,583 3.394,584 1476.34,585 8.559,586 19892.2,588 1,590 1,591 268.078,592 1.347,593 4.848,594 0.176,595 0.005,596 0.059,597 0.058,598 0.026,599 0.025,600 0.017,601 0.012,602 0.008,603 0.01,604 0.396,606 0.88,607 0.496,608 150.651,609 -0.11,610 -0.212,611 0.044,612 -0.044,613 -0.236,614 0.016,615 0.292,616 0.043,617 0.192,618 0.034,619 0.327,620 0.082,621 -0.202,622 0.153,623 -0.117,624 0.114,625 -0.284,626 0.033,627 0.104,628 -0.115,629 -0.087,630 -0.213,631 0.141,632 -0.191,633 -0.044,634 -0.048,635 -0.041,636 -0.044,637 -0.191,638 -0.042,639 0.096,640 0.055,641 0.16,642 0.124,643 0.248,644 0.149,645 -0.214,646 -0.067,647 -0.194,648 -0.097,649 -0.177,650 -0.133,651 0.015,652 -0.087,653 -0.084,654 -0.141,655 0.059,656 -0.133,657 1.516,658 1.899,659 0.867,660 27.933,661 1.012,662 1.138,663 4.099,664 16.799,665 0.69,666 3.555,667 3.912,668 4.22,669 4.564,670 4.787,671 4.984,672 5.204,673 5.429,674 5.541,675 5.673,676 6.011,677 0.673,678 398.48,679 3.555,680 5.118,681 5.989,682 6.893,683 7.783,684 8.696,685 9.597,686 10.516,687 11.423,688 12.346,689 20.8,693 1,697 3,699 6,702 1,703 1,704 8,705 6,706 1,709 9,711 27,722 1,724 1,731 48,733 27,735 34,737 52,738 20,739 18,746 5,747 6,752 2,761 18,762 2,778 1,781 18,782 8,783 4,784 10,787 1,790 10,794 0.8,803 1,805 2,811 2,812 3,815 1,840 4,844 2,848 30,849 1,855 1,877 14.667,878 9.4,879 6.417,880 2.686,881 4.233,882 1.526,883 1.055,884 4.471,885 12.277,886 3.882,887 4.57,888 5.223,889 5.905,890 6.453,891 6.913,892 7.48,893 8.041,894 8.461,895 8.931,896 1,897 48,898 10.967,900 4.684,901 7.689,902 20.753,904 16.889,905 2.189,906 65.667,909 1,910 164.795,911 116.985,912 169.448,917 116.985,918 164.795,919 169.448,920 17.65,922 98.373,923 114.077,924 58.791,925 32.854,926 129.482,928 164.795,929 286.433,933 169.451,937 69.029,938 112.157,939 100.591,941 164.795,942 169.448,943 116.985,946 164.795,947 24.811,948 93.46,949 34.674,950 133.488,951 164.795,952 169.448,953 116.985,955 0.587,956 0.342,957 0.198,958 0.103,959 26,960 11,961 0.077,962 4,963 1,964 1.077,965 4.064,966 290.056,967 0.077,968 26,969 147.207,974 18.372,975 7.301,976 3.446,977 0.727,978 151.499,979 15.224,980 26.204,981 2.783,984 5.917,986 67.571,987 451.228,988 47.5,999 48.552,1000 54.644,1001 0.274,1002 0.706,1003 0.876,1004 0.95,1005 0.957,1006 0.957,1007 5.116,1008 1.783,1009 5.984,1010 5.319,1011 4.595,1012 5.257,1013 0.278,1014 6.828,1015 4.486,1016 6.356,1017 1.444,1018 7.555,1019 4.963,1020 4.205,1021 5.094,1023 7.761,1024 4.04,1025 7.681,1026 1.414,1027 9.226,1028 4.264,1029 6.213,1030 7.546,1031 0.05,1032 10.914,1033 5.997,1034 9.044,1035 1.168,1036 10.957,1037 3.137,1038 6.648,1039 8.227,1041 12.723,1042 6.382,1043 10.438,1044 1.094,1045 12.729,1046 2.799,1047 8.126,1048 10.124,1049 0.008,1050 15.396,1051 7.81,1052 11.856,1053 0.618,1054 14.53,1055 2.538,1056 8.951,1057 11.225,1059 17.582,1060 8.587,1061 13.293,1062 0.563,1063 16.353,1064 1.557,1065 10.224,1066 12.89,1067 0.001,1068 20.098,1069 9.81,1070 3.302,1071 -0.009,1072 18.194,1073 1.372,1074 11.233,1075 14.203,1077 22.442,1078 10.769,1079 2.966,1080 11.822,1081 20.05,1082 -0.023,1083 12.429,1084 15.773,1086 24.911,1087 11.913,1088 2.691,1089 9.94,1090 21.917,1091 4.662,1092 13.524,1093 17.193,1095 27.321,1096 12.955,1097 2.552,1098 8.162,1099 23.795,1100 3.974,1101 14.697,1102 18.727,1104 29.778,1105 14.074,1106 2.233,1107 7.497,1108 25.681,1109 3.776,1110 15.832,1111 20.201,1113 32.216,1114 15.154,1115 1.984,1116 6.618,1117 27.573,1118 3.497,1119 17.001,1120 21.725,1122 34.673,1123 16.266,1124 1.879,1125 5.821,1126 29.472,1127 3.103,1128 18.157,1129 23.226,1131 37.124,1132 17.365,1133 10392,1134 17503,1135 23.175,1136 33.103,1137 52.185,1138 51.245,1139 52.624,1140 51.458,1141 51.385,1142 71.618,1143 0.8,1144 151.618,1145 48.613,1146 5.514,1147 5.334,1148 6.638,1149 5.342,1150 5.302,1151 7.662,1152 0.8,1153 19.043,1154 5.062,1155 12.304,1156 1.535,1157 1.507,1158 1.548,1159 1.513,1160 1.511,1161 2.106,1162 0.024,1163 4.459,1164 1.43,1165 4.162,1166 4.209,1167 4.142,1168 4.019,1169 5.268,1170 4.042,1171 3.892,1172 3.95,1173 3.846,1174 3.76,1175 5.08,1176 3.776,1177 3.848,1178 3.908,1179 3.801,1180 3.645,1181 4.978,1182 3.674,1183 3.764,1184 3.829,1185 3.725,1186 3.554,1187 4.857,1188 3.59,1189 3.339,1190 3.393,1191 3.273,1192 3.209,1193 4.683,1194 3.219,1195 3.169,1196 3.274,1197 2.991,1198 3.018,1199 4.283,1200 2.994,1201 3.165,1202 3.256,1203 2.962,1204 2.915,1205 4.01,1206 2.921,1207 2.957,1208 3.037,1209 2.864,1210 2.799,1211 3.916,1212 2.803,1213 0.139,1214 0.098,1215 0.205,1216 0.125,1217 0.097,1218 4.718,1219 0.137,1220 3.334,1221 0.012,1222 6.953,1223 0.348,1224 4.242,1225 0.091,1226 3.302,1227 4.662,1228 0.4,1229 11.822,1230 3.108,1231 1.984,1232 1.952,1233 2.061,1234 2.11,1235 1.19,1236 2.095,1237 1.774,1238 1.726,1239 1.869,1240 1.971,1241 0.94,1242 1.94,1243 1.688,1244 1.637,1245 1.801,1246 1.872,1247 0.805,1248 1.857,1249 1.523,1250 1.47,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.551,1258 1.686,1259 0.602,1260 1.65,1261 1.208,1262 1.128,1263 1.538,1264 1.45,1265 0.58,1266 1.47,1267 1.193,1268 1.104,1269 1.422,1270 1.418,1271 0.277,1272 1.468,1273 1.096,1274 1.003,1275 1.275,1276 1.389,1277 0.218,1278 1.367,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.736,1286 7.424,1287 10.411,1289 3.755,1293 5.899,1296 3.222,1305 32.321,1306 73.362,1307 189.349,1308 234.959,1309 254.568,1310 256.568,1311 256.568,1312 34.216,1313 8.044,1314 135.59,1315 135.59,1316 28,1317 12.856,1318 4.807,1319 3.858,1320 41.159,1321 103,1322 109,1323 0.189,1324 198.464,1325 316.58,1326 476.013,1327 32468,1329 20.665,1330 0.689,1331 0.544,1332 20.665,1333 16.327,1334 14.581,1335 0.429,1336 0.273,1337 9.12,1338 13.922,1339 8.886,1340 7.4,1341 14.581,1342 9.277,1343 13.56,1344 0.277,1345 0.138,1346 13.56,1347 6.74,1348 11.386,1349 0.17,1350 0.07,1351 11.386,1352 4.66,1353 10.381,1354 0.109,1355 0.035,1356 10.381,1357 3.354,1358 7.888,1359 0.066,1360 0.018,1361 7.888,1362 2.094,1363 0.286,1364 91.759,1365 0.208,1366 27.669,1367 0.553,1368 166,1369 481.494,1370 185.316,1371 478.05,1372 681.1,1373 450,1374 199,1375 539.874,1376 218.706,1377 544.653,1378 799.5,1379 514,1380 6.921}
{0 CHEMBL2172481,1 1.503,2 9.467,3 3.967,4 15.733,5 112.911,6 8.112,7 0.794,8 4.033,9 4.169,10 3.681,11 3.557,12 5.22,13 3.568,14 4.502,15 4.677,16 4.063,17 3.934,18 5.687,19 3.93,20 4.658,21 4.855,22 4.052,23 4.032,24 5.741,25 4.004,26 4.712,27 4.907,28 4.091,29 4.074,30 5.816,31 4.032,32 4.796,33 5.012,34 4.117,35 4.094,36 5.866,37 4.057,38 4.843,39 5.078,40 4.166,41 4.111,42 5.927,43 4.079,44 4.8,45 5.017,46 4.063,47 4.086,48 5.897,49 4.042,50 4.752,51 4.984,52 3.927,53 3.986,54 5.832,55 3.921,56 0.087,57 0.86,58 8.622,59 3.474,60 9.998,61 4.481,62 0.277,63 1.32,64 15.614,65 6.073,66 24.498,67 8.138,68 0.33,69 1.466,70 19.409,71 6.669,72 25.099,73 8.994,74 0.285,75 1.535,76 20.278,77 7.838,78 26.212,79 10.69,80 0.347,81 1.632,82 23.435,83 7.83,84 32.665,85 10.915,86 0.454,87 1.681,88 26.149,89 8.36,90 37.192,91 11.891,92 0.362,93 1.622,94 23.525,95 7.484,96 34.818,97 10.361,98 0.314,99 1.489,100 23.409,101 7.708,102 36.971,103 10.925,104 10,105 49,106 0.248,107 0.632,108 0.782,109 0.875,110 0.888,111 0.888,112 3.442,113 0.831,114 -6.28,115 -6.12,116 -5.68,119 42.9,120 2,142 7,143 3,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 10,174 4,175 6,177 2,178 4,180 2,183 12,186 2,187 3,190 1,191 1,195 11,198 3,199 5,201 1,202 3,204 2,207 7,209 1,211 2,212 10,214 1,215 2,217 2,220 4,223 3,224 11,226 1,227 3,228 1,229 2,231 1,232 2,237 11,240 2,242 5,245 4,247 2,249 1,250 12,252 1,253 1,255 8,258 4,260 3,263 6,266 1,267 1,268 5,270 1,271 4,273 2,275 1558,276 20.463,277 20.463,278 20.463,279 20.463,280 20.463,281 17.233,282 17.5,283 12.018,284 20.974,285 16.847,286 16.847,287 16.847,288 16.847,289 16.847,290 12.041,291 24.859,292 5.775,293 17.715,294 4.112,295 1.79,296 0.881,297 0.317,298 0.235,299 0.235,300 4.15,304 1,305 1,306 628,307 2.55,310 135.464,311 250.41,314 113.97,318 1.502,319 20.453,322 0.75,323 0.67,324 0.83,325 0.5,327 0.83,328 1,329 0.65,330 64.5,331 284,332 4.718,333 3.334,334 6.953,335 4.242,336 3.302,337 4.662,338 0.4,339 11.822,340 3.112,341 4.327,342 3.029,343 6.447,344 3.958,345 2.966,346 3.974,348 9.94,349 2.934,350 4.111,351 2.795,352 5.856,353 3.61,354 2.691,355 3.776,357 8.162,358 2.473,359 3.938,360 2.667,361 5.559,362 3.495,363 2.552,364 3.497,366 7.497,367 2.403,368 3.644,369 2.305,370 5.291,371 3.196,372 2.233,373 3.103,375 6.618,376 2.15,377 3.397,378 2.091,379 5.055,380 2.949,381 1.984,382 2.761,384 5.821,385 1.91,386 3.232,387 2.041,388 4.906,389 2.796,390 1.879,391 2.481,393 5.319,394 1.721,395 3.162,396 1.88,397 4.618,398 2.719,399 1.783,400 2.402,402 4.963,403 1.661,404 2.925,405 1.496,406 4.53,407 2.414,408 1.444,409 2.125,411 4.264,412 1.414,413 2.862,414 1.455,415 3.916,416 2.381,417 1.414,418 2.018,420 3.137,421 1.35,422 2.628,423 1.217,424 3.586,425 2.139,426 1.168,427 1.687,428 2.799,429 1.135,430 2.552,431 1.113,432 3.572,433 2.052,434 1.094,435 1.575,436 2.538,437 1.043,438 2.118,439 0.618,440 3.376,441 1.604,442 0.618,443 0.927,445 1.557,446 0.609,447 2.037,448 0.571,449 3,450 1.516,451 0.563,452 0.821,454 1.372,455 0.535,456 1.295,457 0.139,458 2.876,459 0.943,460 -0.009,461 -0.011,463 -0.023,464 -0.008,465 14.1,466 0.47,467 0.763,468 0.025,469 46,470 1.533,471 25,472 0.833,473 21,474 0.7,475 21.572,476 0.719,477 30.3,478 0.618,479 34.797,480 1.16,481 9.106,482 0.304,483 5.474,484 0.182,485 0.099,487 0.383,493 1.008,494 1.309,495 0.727,496 0.963,497 1.104,498 0.828,499 0.614,500 1.01,501 0.673,502 0.921,503 0.471,504 0.828,505 1.13,506 0.953,507 0.989,508 0.895,509 1.102,510 0.913,511 0.736,512 1.125,513 0.92,514 1.145,515 0.63,516 1.079,517 1.058,518 1.118,519 0.97,520 1.021,521 1.138,522 0.988,523 0.939,524 0.909,525 0.817,526 0.815,527 0.644,528 0.799,529 1.305,530 1.096,531 1.128,532 1.019,533 1.229,534 1.039,535 1.103,536 1.16,537 1.09,538 1.129,539 1.064,540 1.112,541 6,542 0.099,543 2.889,544 2.764,545 1.294,546 1.261,547 0.881,548 0.569,549 0.336,550 0.298,551 11148,552 29511,553 2.165,554 38.8,555 3,556 7,557 2,559 4,560 3,564 1.737,565 2.045,566 3.216,567 1.664,569 1,573 73.642,574 1.503,575 3.825,576 4.734,577 5.298,578 5.38,579 5.38,580 2.641,581 4.507,582 4.877,583 3.394,584 1476.34,585 8.559,586 19892.2,588 1,590 1,591 275.121,592 1.347,593 4.848,594 0.176,595 0.005,596 0.059,597 0.058,598 0.026,599 0.025,600 0.017,601 0.012,602 0.008,603 0.01,604 0.396,606 0.75,607 0.496,608 150.651,609 -0.081,610 -0.143,611 0.045,612 -0.013,613 -0.234,614 0.028,615 0.358,616 0.094,617 0.181,618 0.036,619 0.353,620 0.07,621 -0.106,622 0.125,623 -0.096,624 0.052,625 -0.223,626 -0.007,627 0.164,628 -0.085,629 -0.028,630 -0.161,631 0.183,632 -0.134,633 -0.031,634 -0.087,635 -0.031,636 -0.068,637 -0.174,638 -0.053,639 0.124,640 0.095,641 0.165,642 0.141,643 0.277,644 0.156,645 -0.235,646 -0.056,647 -0.19,648 -0.08,649 -0.182,650 -0.118,651 -0.105,652 -0.175,653 -0.117,654 -0.161,655 -0.008,656 -0.144,657 1.506,658 1.907,659 0.867,660 27.933,661 1.007,662 1.134,663 5.052,664 25.527,665 0.691,666 3.555,667 3.912,668 4.22,669 4.564,670 4.787,671 4.984,672 5.204,673 5.429,674 5.541,675 5.673,676 6.011,677 0.67,678 397.49,679 3.555,680 5.118,681 5.989,682 6.893,683 7.783,684 8.696,685 9.597,686 10.516,687 11.423,688 12.346,689 18.4,693 1,697 3,699 5,702 1,703 1,704 9,705 5,706 1,709 9,711 27,722 1,724 1,731 49,733 27,734 1,735 34,737 53,738 21,739 19,740 2,741 4,746 5,747 6,752 2,761 19,762 2,778 1,781 19,782 7,783 4,784 9,787 1,790 9,794 0.8,803 1,805 1,811 2,812 3,815 1,840 4,844 2,848 30,849 1,855 1,877 14.667,878 9.533,879 6.417,880 2.764,881 4.233,882 1.526,883 1.058,884 4.509,885 12.277,886 3.882,887 4.57,888 5.223,889 5.905,890 6.453,891 6.913,892 7.48,893 8.041,894 8.461,895 8.931,896 1,897 48,898 10.977,900 4.687,901 7.656,902 20.883,904 17.082,905 2.156,906 64.667,908 1,909 1,910 176.567,911 127.319,912 152.663,917 127.319,918 176.567,919 152.663,920 17.65,922 117.326,923 85.52,924 50.173,925 32.854,926 153.024,928 176.567,929 279.981,933 181.222,937 57.225,938 134.295,939 83.805,941 176.567,942 152.663,943 127.319,946 176.567,947 25.24,948 103.365,949 34.674,950 116.702,951 176.567,952 152.663,953 127.319,955 0.587,956 0.342,957 0.198,958 0.103,959 26,960 11,961 0.075,962 4,963 1,964 1.077,965 4.064,966 290.056,967 0.077,968 26,969 143.207,974 18.432,975 7.338,976 3.467,977 0.747,978 134.713,979 17.863,980 21.865,981 2.79,984 6.422,986 67.571,987 456.548,988 47.5,999 49.334,1000 55.561,1001 0.268,1002 0.681,1003 0.843,1004 0.944,1005 0.958,1006 0.958,1007 5.116,1008 1.783,1009 5.984,1010 5.319,1011 4.595,1012 5.257,1013 0.278,1014 6.828,1015 4.497,1016 6.356,1017 1.444,1018 7.555,1019 4.963,1020 4.205,1021 5.094,1023 7.761,1024 4.051,1025 7.681,1026 1.414,1027 9.226,1028 4.264,1029 6.213,1030 7.546,1031 0.05,1032 10.914,1033 6.016,1034 9.044,1035 1.168,1036 10.957,1037 3.137,1038 6.648,1039 8.227,1041 12.723,1042 6.4,1043 10.438,1044 1.094,1045 12.729,1046 2.799,1047 8.126,1048 10.124,1049 0.008,1050 15.396,1051 7.836,1052 11.856,1053 0.618,1054 14.53,1055 2.538,1056 8.951,1057 11.225,1059 17.582,1060 8.612,1061 13.293,1062 0.563,1063 16.353,1064 1.557,1065 10.224,1066 12.89,1067 0.001,1068 20.098,1069 9.841,1070 3.302,1071 -0.009,1072 18.194,1073 1.372,1074 11.233,1075 14.203,1077 22.442,1078 10.8,1079 2.966,1080 11.822,1081 20.05,1082 -0.023,1083 12.429,1084 15.773,1086 24.911,1087 11.95,1088 2.691,1089 9.94,1090 21.917,1091 4.662,1092 13.524,1093 17.193,1095 27.321,1096 12.993,1097 2.552,1098 8.162,1099 23.795,1100 3.974,1101 14.697,1102 18.727,1104 29.778,1105 14.115,1106 2.233,1107 7.497,1108 25.681,1109 3.776,1110 15.832,1111 20.201,1113 32.216,1114 15.197,1115 1.984,1116 6.618,1117 27.573,1118 3.497,1119 17.001,1120 21.725,1122 34.673,1123 16.312,1124 1.879,1125 5.821,1126 29.472,1127 3.103,1128 18.157,1129 23.226,1131 37.124,1132 17.412,1133 10392,1134 17113,1135 23.175,1136 33.858,1137 52.185,1138 51.245,1139 52.624,1140 51.46,1141 51.385,1142 71.618,1143 0.8,1144 151.618,1145 48.902,1146 5.514,1147 5.334,1148 6.638,1149 5.342,1150 5.302,1151 7.662,1152 0.8,1153 19.043,1154 5.112,1155 12.304,1156 1.535,1157 1.507,1158 1.548,1159 1.514,1160 1.511,1161 2.106,1162 0.024,1163 4.459,1164 1.438,1165 4.164,1166 4.211,1167 4.143,1168 4.031,1169 5.268,1170 4.05,1171 3.909,1172 3.955,1173 3.857,1174 3.814,1175 5.078,1176 3.823,1177 3.855,1178 3.917,1179 3.803,1180 3.649,1181 4.972,1182 3.678,1183 3.77,1184 3.834,1185 3.731,1186 3.561,1187 4.741,1188 3.597,1189 3.347,1190 3.398,1191 3.279,1192 3.223,1193 4.675,1194 3.233,1195 3.17,1196 3.275,1197 2.991,1198 3.023,1199 4.263,1200 2.998,1201 3.165,1202 3.256,1203 2.964,1204 2.921,1205 4.009,1206 2.924,1207 2.965,1208 3.04,1209 2.87,1210 2.827,1211 3.896,1212 2.827,1213 0.139,1214 0.098,1215 0.205,1216 0.125,1217 0.097,1218 4.718,1219 0.137,1220 3.334,1221 0.012,1222 6.953,1223 0.348,1224 4.242,1225 0.092,1226 3.302,1227 4.662,1228 0.4,1229 11.822,1230 3.112,1231 2.007,1232 1.98,1233 2.095,1234 2.113,1235 1.233,1236 2.104,1237 1.806,1238 1.764,1239 1.904,1240 1.976,1241 1.007,1242 1.953,1243 1.702,1244 1.65,1245 1.807,1246 1.883,1247 0.809,1248 1.872,1249 1.523,1250 1.471,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.552,1258 1.686,1259 0.604,1260 1.65,1261 1.208,1262 1.129,1263 1.538,1264 1.45,1265 0.582,1266 1.47,1267 1.193,1268 1.105,1269 1.422,1270 1.418,1271 0.293,1272 1.468,1273 1.097,1274 1.007,1275 1.275,1276 1.389,1277 0.248,1278 1.367,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.736,1286 7.424,1287 10.411,1289 3.874,1293 5.907,1296 3.234,1305 32.827,1306 73.642,1307 187.43,1308 231.96,1309 259.611,1310 263.611,1311 263.611,1312 33.957,1313 8.044,1314 122.7,1315 122.7,1316 28,1317 12.856,1318 4.807,1319 3.858,1320 41.159,1321 103,1322 109,1323 0.189,1324 201.263,1325 322.88,1326 482.841,1327 32468,1329 20.665,1330 0.689,1331 0.549,1332 20.665,1333 16.457,1334 14.581,1335 0.429,1336 0.277,1337 9.276,1338 13.997,1339 9.025,1340 7.529,1341 14.581,1342 9.418,1343 13.56,1344 0.277,1345 0.141,1346 13.56,1347 6.919,1348 11.386,1349 0.17,1350 0.072,1351 11.386,1352 4.798,1353 10.381,1354 0.109,1355 0.036,1356 10.381,1357 3.461,1358 7.888,1359 0.066,1360 0.018,1361 7.888,1362 2.176,1363 0.286,1364 91.305,1365 0.208,1366 27.669,1367 0.553,1368 166,1369 461.849,1370 183.596,1371 461.131,1372 658.86,1373 434,1374 199,1375 523.409,1376 217.04,1377 529.872,1378 778.4,1379 500,1380 6.406}
{0 CHEMBL2172482,1 1.528,2 9.467,3 2.816,4 7.929,5 110.754,6 8.302,7 0.794,8 4.021,9 4.16,10 3.687,11 3.524,12 5.231,13 3.547,14 4.488,15 4.667,16 4.067,17 3.899,18 5.693,19 3.908,20 4.627,21 4.821,22 4.055,23 3.997,24 5.736,25 3.982,26 4.691,27 4.885,28 4.096,29 4.039,30 5.821,31 4.009,32 4.782,33 5.004,34 4.12,35 4.052,36 5.874,37 4.03,38 4.795,39 5.019,40 4.168,41 4.074,42 5.914,43 4.056,44 4.781,45 4.998,46 4.069,47 4.054,48 5.903,49 4.02,50 4.731,51 4.965,52 3.933,53 3.954,54 5.838,55 3.895,56 0.107,57 0.866,58 8.076,59 3.232,60 10.579,61 4.119,62 0.314,63 1.312,64 14.976,65 5.583,66 25.735,67 7.439,68 0.361,69 1.441,70 17.906,71 6.06,72 25.731,73 8.035,74 0.313,75 1.515,76 19.06,77 7.324,78 26.564,79 9.935,80 0.455,81 1.6,82 22.948,83 7.062,84 37.285,85 9.837,86 0.469,87 1.625,88 23.656,89 7.525,90 35.412,91 10.57,92 0.421,93 1.59,94 22.361,95 7.02,96 36.5,97 9.649,98 0.407,99 1.446,100 22.538,101 7.435,102 39.893,103 10.499,104 10,105 49,106 0.253,107 0.659,108 0.824,109 0.886,110 0.886,111 0.886,112 3.442,113 0.818,114 -5.33,115 -5.21,116 -4.87,119 41.7,120 2,142 4,143 3,145 2,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 6,174 4,175 8,177 2,178 4,180 2,183 6,186 2,187 5,190 1,191 1,195 4,198 3,199 6,201 1,202 3,204 2,207 3,209 1,211 3,212 10,214 1,215 2,217 2,220 2,223 3,224 9,226 1,227 3,228 1,229 2,231 1,232 1,236 1,237 8,240 2,242 4,245 4,247 2,249 3,250 9,252 1,253 2,255 7,258 4,260 3,263 2,266 1,267 1,268 3,270 1,271 2,273 1,275 1558,276 20.463,277 20.463,278 20.463,279 20.463,280 20.463,281 17.233,282 17.5,283 12.018,284 21.039,285 16.847,286 16.847,287 16.847,288 16.847,289 16.847,290 12.041,291 24.859,292 5.775,293 17.806,294 4.057,295 1.607,296 0.615,297 0.24,298 0.24,299 0.24,300 4.15,304 1,305 1,306 628,307 2.55,310 135.464,311 250.41,314 113.97,318 1.502,319 22.083,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 65,331 284,332 4.718,333 3.334,334 6.953,335 4.242,336 3.302,337 4.662,338 0.4,339 11.822,340 3.11,341 4.327,342 3.029,343 6.447,344 3.955,345 2.966,346 3.974,348 9.94,349 2.926,350 4.111,351 2.795,352 5.856,353 3.609,354 2.691,355 3.776,357 8.162,358 2.472,359 3.938,360 2.667,361 5.559,362 3.494,363 2.552,364 3.497,366 7.497,367 2.402,368 3.644,369 2.305,370 5.291,371 3.194,372 2.233,373 3.103,375 6.618,376 2.146,377 3.397,378 2.091,379 5.055,380 2.946,381 1.984,382 2.761,384 5.821,385 1.906,386 3.232,387 2.041,388 4.906,389 2.796,390 1.879,391 2.481,393 5.319,394 1.721,395 3.162,396 1.88,397 4.618,398 2.718,399 1.783,400 2.402,402 4.963,403 1.66,404 2.925,405 1.496,406 4.53,407 2.381,408 1.444,409 2.125,411 4.264,412 1.35,413 2.862,414 1.455,415 3.916,416 2.348,417 1.414,418 2.018,420 3.137,421 1.318,422 2.628,423 1.217,424 3.586,425 2.132,426 1.168,427 1.687,428 2.799,429 1.125,430 2.552,431 1.113,432 3.572,433 2.049,434 1.094,435 1.575,436 2.538,437 1.041,438 2.118,439 0.618,440 3.376,441 1.604,442 0.618,443 0.927,445 1.557,446 0.609,447 2.037,448 0.571,449 3,450 1.515,451 0.563,452 0.821,454 1.372,455 0.534,456 1.295,457 0.139,458 2.876,459 0.933,460 -0.009,461 -0.011,463 -0.023,464 -0.008,465 14,466 0.467,467 0.763,468 0.025,469 46.5,470 1.55,471 25,472 0.833,473 21.5,474 0.717,475 21.268,476 0.709,477 30.4,478 0.633,479 35.1,480 1.17,481 9.187,482 0.306,483 5.393,484 0.18,485 0.1,487 0.386,493 1.017,494 1.387,495 0.708,496 0.998,497 1.076,498 0.832,499 0.7,500 1.016,501 0.664,502 0.884,503 0.524,504 0.789,505 1.154,506 0.987,507 1,508 0.906,509 1.124,510 0.92,511 0.748,512 1.187,513 0.913,514 1.191,515 0.628,516 1.103,517 1.141,518 1.032,519 0.979,520 0.924,521 1.208,522 0.921,523 0.947,524 0.967,525 0.836,526 0.863,527 0.676,528 0.834,529 1.247,530 1.101,531 1.126,532 1.041,533 1.199,534 1.057,535 0.954,536 1.061,537 1.062,538 1.122,539 0.974,540 1.114,541 6,542 0.099,543 2.889,544 2.764,545 1.294,546 1.261,547 0.881,548 0.569,549 0.336,550 0.298,551 11148,552 30947,553 2.165,554 37.5,555 3,556 4,557 2,558 2,559 4,560 3,564 1.737,565 2.045,566 3.216,567 1.697,568 1,569 1,573 73.362,574 1.528,575 3.978,576 4.97,577 5.345,578 5.345,579 5.345,580 2.641,581 4.507,582 4.877,583 3.394,584 1476.34,585 8.559,586 19892.2,588 1,590 1,591 268.078,592 1.347,593 4.848,594 0.176,595 0.005,596 0.059,597 0.058,598 0.026,599 0.025,600 0.017,601 0.012,602 0.008,603 0.01,604 0.396,606 0.88,607 0.496,608 150.651,609 -0.11,610 -0.212,611 0.044,612 -0.044,613 -0.224,614 0.016,615 0.275,616 0.092,617 0.183,618 0.07,619 0.31,620 0.102,621 -0.155,622 0.1,623 -0.129,624 0.042,625 -0.262,626 -0.023,627 0.136,628 -0.142,629 -0.031,630 -0.2,631 0.178,632 -0.157,633 -0.084,634 -0.003,635 -0.031,636 0.018,637 -0.214,638 0.006,639 0.079,640 0.048,641 0.122,642 0.095,643 0.229,644 0.113,645 -0.214,646 -0.067,647 -0.194,648 -0.097,649 -0.177,650 -0.133,651 0.015,652 -0.087,653 -0.084,654 -0.141,655 0.059,656 -0.133,657 1.516,658 1.899,659 0.867,660 27.933,661 1.012,662 1.138,663 4.099,664 16.799,665 0.69,666 3.555,667 3.912,668 4.22,669 4.564,670 4.787,671 4.984,672 5.204,673 5.429,674 5.541,675 5.673,676 6.011,677 0.673,678 398.48,679 3.555,680 5.118,681 5.989,682 6.893,683 7.783,684 8.696,685 9.597,686 10.516,687 11.423,688 12.346,689 20.8,693 1,697 3,699 6,702 1,703 1,704 8,705 6,706 1,709 9,711 27,722 1,724 1,731 48,733 27,735 34,737 52,738 20,739 18,746 5,747 6,752 2,761 18,762 2,778 1,781 18,782 8,783 4,784 10,787 1,790 10,794 0.8,803 1,805 2,811 2,812 3,815 1,840 4,844 2,848 30,849 1,855 1,877 14.667,878 9.4,879 6.417,880 2.675,881 4.233,882 1.526,883 1.055,884 4.471,885 12.277,886 3.882,887 4.57,888 5.223,889 5.905,890 6.453,891 6.913,892 7.48,893 8.041,894 8.461,895 8.931,896 1,897 48,898 10.965,900 4.682,901 7.689,902 20.753,904 16.898,905 2.189,906 65.667,909 1,910 164.795,911 116.985,912 169.448,917 116.985,918 164.795,919 169.448,920 17.65,922 88.897,923 125.848,924 68.268,925 32.854,926 117.711,928 164.795,929 286.433,933 169.451,937 75.32,938 105.866,939 100.591,941 164.795,942 169.448,943 116.985,946 164.795,947 25.24,948 93.032,949 34.674,950 133.488,951 164.795,952 169.448,953 116.985,955 0.587,956 0.342,957 0.198,958 0.103,959 26,960 11,961 0.077,962 4,963 1,964 1.077,965 4.064,966 290.056,967 0.077,968 26,969 147.207,974 18.372,975 7.301,976 3.446,977 0.727,978 151.499,979 15.099,980 26.071,981 2.783,984 6.105,986 67.571,987 451.228,988 47.5,999 48.552,1000 54.644,1001 0.274,1002 0.712,1003 0.89,1004 0.957,1005 0.957,1006 0.957,1007 5.116,1008 1.783,1009 5.984,1010 5.319,1011 4.595,1012 5.257,1013 0.278,1014 6.828,1015 4.488,1016 6.356,1017 1.444,1018 7.555,1019 4.963,1020 4.205,1021 5.094,1023 7.761,1024 4.051,1025 7.681,1026 1.414,1027 9.226,1028 4.264,1029 6.213,1030 7.546,1031 0.05,1032 10.914,1033 6.004,1034 9.044,1035 1.168,1036 10.957,1037 3.137,1038 6.648,1039 8.227,1041 12.723,1042 6.398,1043 10.438,1044 1.094,1045 12.729,1046 2.799,1047 8.126,1048 10.124,1049 0.008,1050 15.396,1051 7.824,1052 11.856,1053 0.618,1054 14.53,1055 2.538,1056 8.951,1057 11.225,1059 17.582,1060 8.606,1061 13.293,1062 0.563,1063 16.353,1064 1.557,1065 10.224,1066 12.89,1067 0.001,1068 20.098,1069 9.828,1070 3.302,1071 -0.009,1072 18.194,1073 1.372,1074 11.233,1075 14.203,1077 22.442,1078 10.791,1079 2.966,1080 11.822,1081 20.05,1082 -0.023,1083 12.429,1084 15.773,1086 24.911,1087 11.936,1088 2.691,1089 9.94,1090 21.917,1091 4.662,1092 13.524,1093 17.193,1095 27.321,1096 12.981,1097 2.552,1098 8.162,1099 23.795,1100 3.974,1101 14.697,1102 18.727,1104 29.778,1105 14.1,1106 2.233,1107 7.497,1108 25.681,1109 3.776,1110 15.832,1111 20.201,1113 32.216,1114 15.182,1115 1.984,1116 6.618,1117 27.573,1118 3.497,1119 17.001,1120 21.725,1122 34.673,1123 16.295,1124 1.879,1125 5.821,1126 29.472,1127 3.103,1128 18.157,1129 23.226,1131 37.124,1132 17.395,1133 10392,1134 17505,1135 23.175,1136 33.103,1137 52.185,1138 51.245,1139 52.624,1140 51.452,1141 51.385,1142 71.618,1143 0.8,1144 151.618,1145 48.642,1146 5.514,1147 5.334,1148 6.638,1149 5.342,1150 5.302,1151 7.662,1152 0.8,1153 19.043,1154 5.066,1155 12.304,1156 1.535,1157 1.507,1158 1.548,1159 1.513,1160 1.511,1161 2.106,1162 0.024,1163 4.459,1164 1.431,1165 4.162,1166 4.21,1167 4.142,1168 4.02,1169 5.268,1170 4.043,1171 3.893,1172 3.95,1173 3.847,1174 3.767,1175 5.081,1176 3.782,1177 3.849,1178 3.909,1179 3.801,1180 3.646,1181 4.979,1182 3.675,1183 3.765,1184 3.83,1185 3.726,1186 3.555,1187 4.863,1188 3.591,1189 3.342,1190 3.395,1191 3.275,1192 3.214,1193 4.683,1194 3.223,1195 3.166,1196 3.274,1197 2.991,1198 2.921,1199 4.283,1200 2.924,1201 3.118,1202 3.22,1203 2.918,1204 2.901,1205 4.012,1206 2.89,1207 2.964,1208 3.039,1209 2.87,1210 2.826,1211 3.989,1212 2.826,1213 0.139,1214 0.098,1215 0.205,1216 0.125,1217 0.097,1218 4.718,1219 0.137,1220 3.334,1221 0.012,1222 6.953,1223 0.348,1224 4.242,1225 0.091,1226 3.302,1227 4.662,1228 0.4,1229 11.822,1230 3.11,1231 1.986,1232 1.955,1233 2.064,1234 2.11,1235 1.199,1236 2.095,1237 1.778,1238 1.732,1239 1.877,1240 1.971,1241 0.967,1242 1.941,1243 1.691,1244 1.64,1245 1.804,1246 1.874,1247 0.808,1248 1.86,1249 1.523,1250 1.471,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.539,1258 1.686,1259 0.584,1260 1.65,1261 1.193,1262 1.105,1263 1.477,1264 1.45,1265 0.486,1266 1.469,1267 1.124,1268 1.027,1269 1.422,1270 1.389,1271 0.288,1272 1.425,1273 1.097,1274 1.005,1275 1.275,1276 1.387,1277 0.247,1278 1.367,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.736,1286 7.424,1287 10.411,1289 3.826,1293 5.899,1296 3.222,1305 32.321,1306 73.362,1307 190.959,1308 238.568,1309 256.568,1310 256.568,1311 256.568,1312 34.283,1313 8.044,1314 135.59,1315 135.59,1316 28,1317 12.856,1318 4.807,1319 3.858,1320 41.159,1321 103,1322 109,1323 0.189,1324 198.464,1325 316.58,1326 476.013,1327 32468,1329 20.665,1330 0.689,1331 0.544,1332 20.665,1333 16.327,1334 14.581,1335 0.429,1336 0.273,1337 9.108,1338 13.922,1339 8.871,1340 7.394,1341 14.581,1342 9.267,1343 13.56,1344 0.277,1345 0.139,1346 13.56,1347 6.794,1348 11.386,1349 0.17,1350 0.07,1351 11.386,1352 4.692,1353 10.381,1354 0.109,1355 0.035,1356 10.381,1357 3.331,1358 7.888,1359 0.066,1360 0.017,1361 7.888,1362 2.08,1363 0.286,1364 91.805,1365 0.208,1366 27.669,1367 0.553,1368 166,1369 481.494,1370 184.983,1371 478.371,1372 680.26,1373 450,1374 199,1375 537.522,1376 218.539,1377 543.515,1378 797,1379 512,1380 7.137}
{0 CHEMBL2172483,1 1.641,2 9.548,3 2.852,4 8.136,5 112.49,6 8.459,7 0.771,8 4.051,9 4.181,10 3.728,11 3.521,12 5.279,13 3.559,14 4.518,15 4.687,16 4.1,17 3.883,18 5.749,19 3.91,20 4.63,21 4.817,22 4.103,23 3.971,24 5.772,25 3.98,26 4.687,27 4.864,28 4.155,29 4.024,30 5.867,31 4.026,32 4.789,33 4.981,34 4.182,35 4.087,36 5.922,37 4.078,38 4.862,39 5.078,40 4.218,41 4.125,42 5.983,43 4.105,44 4.86,45 5.086,46 4.123,47 4.077,48 5.972,49 4.05,50 4.763,51 4.991,52 4.01,53 3.979,54 5.893,55 3.93,56 0.144,57 0.869,58 7.983,59 3.294,60 11.152,61 4.022,62 0.447,63 1.298,64 15.427,65 5.583,66 30.995,67 7.079,68 0.42,69 1.418,70 17.56,71 5.811,72 27.928,73 7.497,74 0.433,75 1.492,76 18.155,77 6.694,78 30.571,79 8.494,80 0.557,81 1.612,82 21.185,83 7.082,84 36.366,85 9.185,86 0.535,87 1.691,88 24.694,89 8.33,90 38.445,91 11.485,92 0.595,93 1.632,94 25.17,95 7.543,96 43.885,97 10.476,98 0.571,99 1.451,100 23.236,101 7.814,102 44.487,103 11.055,104 11,105 50,106 0.271,107 0.669,108 0.836,109 0.882,110 0.888,111 0.888,112 3.473,113 0.805,114 -5.42,115 -5.3,116 -4.95,119 40.8,120 1,124 1,142 5,143 2,145 1,147 3,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 5,174 5,175 9,177 2,178 4,180 2,183 4,186 2,187 7,190 1,191 1,195 3,198 3,199 7,201 1,202 3,204 2,207 2,209 1,211 4,212 10,214 1,215 2,217 2,220 1,223 3,224 9,226 1,227 3,228 1,229 2,231 1,232 1,236 2,237 7,240 2,242 4,245 4,247 2,249 5,250 7,252 1,253 3,255 6,258 4,260 3,263 2,266 1,267 1,268 3,270 1,271 2,273 1,275 1682,276 21.334,277 21.334,278 21.334,279 21.334,280 21.334,281 18.156,282 19.388,283 12.539,284 22.082,285 17.285,286 17.285,287 17.285,288 17.285,289 17.285,290 12.468,291 28.039,292 5.927,293 18.442,294 3.974,295 1.566,296 0.553,297 0.276,298 0.235,299 0.235,300 4.182,304 1,306 651,307 2.739,310 140.957,311 260.123,314 117.999,318 1.528,319 25.738,322 0.5,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.52,330 68,331 296,332 4.718,333 3.337,334 6.954,335 4.242,336 3.303,337 4.662,338 0.86,339 11.823,340 3.105,341 4.344,342 3.121,343 6.495,344 3.957,345 2.989,346 3.988,347 0.4,348 10.16,349 2.892,350 4.113,351 2.798,352 5.861,353 3.61,354 2.693,355 3.779,357 8.185,358 2.468,359 3.939,360 2.681,361 5.561,362 3.495,363 2.555,364 3.497,366 7.507,367 2.398,368 3.654,369 2.379,370 5.296,371 3.196,372 2.25,373 3.11,375 6.649,376 2.125,377 3.41,378 2.135,379 5.172,380 2.95,381 2.014,382 2.77,384 6.101,385 1.88,386 3.232,387 2.078,388 4.92,389 2.796,390 1.879,391 2.481,393 5.403,394 1.721,395 3.166,396 1.909,397 4.618,398 2.719,399 1.794,400 2.405,402 4.963,403 1.655,404 2.925,405 1.639,406 4.533,407 2.452,408 1.495,409 2.125,411 4.272,412 1.422,413 2.917,414 1.455,415 4.026,416 2.381,417 1.444,418 2.086,420 3.332,421 1.35,422 2.63,423 1.219,424 3.601,425 2.119,426 1.17,427 1.69,428 2.8,429 1.107,430 2.552,431 1.118,432 3.573,433 2.044,434 1.095,435 1.575,436 2.538,437 1.036,438 2.118,439 0.938,440 3.376,441 1.604,442 0.618,443 0.927,445 1.56,446 0.609,447 2.04,448 0.618,449 3,450 1.522,451 0.579,452 0.829,454 1.372,455 0.543,456 1.657,457 0.564,458 2.888,459 1.334,460 0.463,461 0.54,463 0.745,464 0.401,465 14.333,466 0.462,467 0.725,468 0.023,469 48,470 1.548,471 25.5,472 0.823,473 22.5,474 0.726,475 21.622,476 0.697,477 31.867,478 0.65,479 37.397,480 1.206,481 9.629,482 0.311,483 5.489,484 0.177,485 0.098,487 0.377,493 1.012,494 1.436,495 0.693,496 1.057,497 1.062,498 0.847,499 0.901,500 1.001,501 0.696,502 0.843,503 0.653,504 0.762,505 1.11,506 1.027,507 0.928,508 0.887,509 1.077,510 0.86,511 1.033,512 1.134,513 0.937,514 1.08,515 0.791,516 1.011,517 1.114,518 1.078,519 1.044,520 1.005,521 1.208,522 1.01,523 0.818,524 1.053,525 0.856,526 1,527 0.696,528 0.946,529 1.067,530 1.02,531 1.063,532 0.966,533 1.086,534 0.991,535 0.664,536 0.996,537 0.951,538 1.078,539 0.785,540 1.073,541 6,542 0.14,543 2.889,544 2.764,545 1.334,546 1.323,547 0.901,548 0.597,549 0.368,550 0.298,551 12073,552 35460,553 2.16,554 36.7,556 8,557 2,558 1,559 4,560 3,564 1.746,565 2.044,566 3.25,567 1.696,568 1,569 1,573 80.404,574 1.641,575 4.049,576 5.061,577 5.339,578 5.38,579 5.38,580 2.657,581 4.632,582 4.924,583 3.431,584 1595.51,585 8.655,586 22035.6,588 1,590 1,591 275.121,592 1.332,593 4.896,594 0.171,595 0.006,596 0.058,597 0.055,598 0.026,599 0.025,600 0.016,601 0.012,602 0.009,603 0.009,604 0.387,606 0.88,607 0.646,608 157.488,609 -0.128,610 -0.254,611 0.046,612 -0.089,613 -0.225,615 0.164,616 0.099,617 0.159,618 0.113,619 0.235,620 0.119,621 -0.158,622 0.071,623 -0.064,624 0.055,625 -0.209,626 0.029,627 -0.047,628 -0.053,629 -0.078,630 -0.11,631 0.076,632 -0.107,633 -0.108,634 -0.013,635 -0.153,636 -0.052,637 -0.266,638 -0.104,639 0.06,640 -0.045,641 0.089,642 -0.016,643 0.165,644 0.029,645 -0.126,646 -0.012,647 -0.099,648 -0.014,649 -0.111,650 -0.037,651 0.216,652 -0.027,653 0.029,654 -0.08,655 0.195,656 -0.068,657 1.534,658 1.924,659 0.839,660 29.347,661 1.018,662 1.14,663 4.187,664 17.532,665 0.685,666 3.584,667 3.932,668 4.248,669 4.595,670 4.82,671 5.011,672 5.231,673 5.46,674 5.583,675 5.714,676 6.163,677 0.674,678 414.48,679 3.584,680 5.142,681 6.014,682 6.917,683 7.808,684 8.721,685 9.623,686 10.541,687 11.45,688 12.372,689 20.4,693 1,697 3,699 6,702 1,703 1,704 8,705 6,706 1,709 9,711 27,722 1,724 1,729 1,731 49,733 27,735 35,737 53,738 20,739 18,746 5,747 6,752 1,761 18,762 2,778 1,781 18,782 9,783 4,784 11,787 1,790 10,794 0.8,795 1,803 1,805 2,811 2,812 3,815 1,840 4,844 2,848 31,849 1,855 1,856 1,870 2,875 1,877 15.167,878 9.567,879 6.75,880 2.644,881 4.268,882 1.525,883 1.042,884 4.882,885 12.394,886 3.902,887 4.58,888 5.239,889 5.922,890 6.47,891 6.93,892 7.497,893 8.057,894 8.485,895 8.953,896 1,897 50,898 11.322,900 4.814,901 7.731,902 21.288,904 17.134,905 2.231,906 69.167,909 1,910 164.795,911 121.1,912 169.448,914 11,917 121.1,918 175.795,919 169.448,920 19.708,922 98.373,923 114.077,924 67.035,925 37.668,926 129.482,928 164.795,929 290.548,930 11,933 169.451,934 11,937 57.447,938 127.855,939 100.591,941 164.795,942 180.448,943 121.1,946 164.795,947 26.869,948 95.518,949 34.674,950 144.488,951 164.795,952 180.448,953 121.1,955 0.581,956 0.345,957 0.202,958 0.106,959 26,960 11,961 0.094,962 5,963 1,964 1.077,965 4.129,966 302.793,967 0.077,968 26,969 153.58,974 19.273,975 7.852,976 3.642,977 0.691,978 162.498,979 14.792,980 26.061,981 2.775,984 5.066,986 67.571,987 466.344,988 48.5,999 49.88,1000 55.853,1001 0.292,1002 0.721,1003 0.901,1004 0.951,1005 0.958,1006 0.958,1007 5.134,1008 1.794,1009 6.004,1010 5.403,1011 4.615,1012 5.268,1013 1.029,1014 6.849,1015 4.492,1016 6.368,1017 1.495,1018 7.575,1019 4.963,1020 4.205,1021 5.094,1023 7.791,1024 4.021,1025 7.692,1026 1.444,1027 9.246,1028 4.272,1029 6.232,1030 7.553,1031 0.763,1032 10.943,1033 5.993,1034 9.054,1035 1.17,1036 10.978,1037 3.332,1038 6.661,1039 8.233,1041 12.76,1042 6.365,1043 10.448,1044 1.095,1045 12.751,1046 2.8,1047 8.146,1048 10.131,1049 0.597,1050 15.431,1051 7.799,1052 11.867,1053 0.618,1054 14.553,1055 2.538,1056 8.969,1057 11.232,1059 17.621,1060 8.567,1061 13.305,1062 0.579,1063 16.378,1064 1.56,1065 10.244,1066 12.896,1067 0.47,1068 20.135,1069 9.79,1070 3.303,1071 0.463,1072 18.22,1073 1.372,1074 11.253,1075 14.21,1077 22.481,1078 10.744,1079 2.989,1080 11.823,1081 20.076,1082 0.745,1083 12.451,1084 15.78,1085 0.367,1086 24.947,1087 11.888,1088 2.693,1089 10.16,1090 21.945,1091 4.662,1092 13.546,1093 17.2,1095 27.357,1096 12.927,1097 2.555,1098 8.185,1099 23.823,1100 3.988,1101 14.719,1102 18.734,1103 0.283,1104 29.812,1105 14.044,1106 2.25,1107 7.507,1108 25.709,1109 3.779,1110 15.855,1111 20.207,1113 32.248,1114 15.122,1115 2.014,1116 6.649,1117 27.602,1118 3.497,1119 17.023,1120 21.731,1121 0.217,1122 34.703,1123 16.233,1124 1.879,1125 6.101,1126 29.501,1127 3.11,1128 18.179,1129 23.231,1131 37.152,1132 17.329,1133 11308,1134 19562,1135 23.868,1136 33.557,1137 53.262,1138 52.89,1139 54.031,1140 52.726,1141 52.685,1142 72.931,1143 2.52,1144 154.82,1145 49.423,1146 5.514,1147 5.337,1148 6.645,1149 5.342,1150 5.303,1151 7.662,1152 1.72,1153 19.046,1154 5.059,1155 12.712,1156 1.522,1157 1.511,1158 1.544,1159 1.506,1160 1.505,1161 2.084,1162 0.072,1163 4.423,1164 1.412,1165 4.161,1166 4.208,1167 4.141,1168 4.014,1169 5.269,1170 4.039,1171 3.886,1172 3.946,1173 3.843,1174 3.738,1175 5.085,1176 3.759,1177 3.844,1178 3.897,1179 3.8,1180 3.643,1181 4.997,1182 3.672,1183 3.761,1184 3.823,1185 3.724,1186 3.551,1187 4.924,1188 3.587,1189 3.339,1190 3.393,1191 3.273,1192 3.209,1193 4.684,1194 3.219,1195 3.249,1196 3.315,1197 3.062,1198 2.966,1199 4.409,1200 2.976,1201 3.166,1202 3.274,1203 2.991,1204 2.916,1205 4.281,1206 2.922,1207 2.961,1208 3.038,1209 2.869,1210 2.811,1211 4.01,1212 2.813,1213 0.135,1214 0.095,1215 0.199,1216 0.121,1217 0.094,1218 4.718,1219 0.133,1220 3.337,1221 0.025,1222 6.954,1223 0.338,1224 4.242,1225 0.089,1226 3.303,1227 4.662,1228 0.86,1229 11.823,1230 3.105,1231 1.973,1232 1.943,1233 2.042,1234 2.107,1235 1.171,1236 2.087,1237 1.76,1238 1.714,1239 1.845,1240 1.966,1241 0.888,1242 1.931,1243 1.677,1244 1.629,1245 1.792,1246 1.862,1247 0.797,1248 1.843,1249 1.523,1250 1.47,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.572,1258 1.686,1259 0.581,1260 1.65,1261 1.197,1262 1.124,1263 1.538,1264 1.512,1265 0.574,1266 1.532,1267 1.192,1268 1.105,1269 1.422,1270 1.449,1271 0.282,1272 1.469,1273 1.097,1274 1.004,1275 1.275,1276 1.389,1277 0.234,1278 1.367,1279 4.263,1281 5.602,1282 3.045,1283 7.133,1284 5.352,1285 8.758,1286 7.424,1287 10.434,1289 3.354,1293 5.9,1296 3.209,1297 5.424,1305 33.036,1306 80.404,1307 198.392,1308 248.001,1309 261.611,1310 263.611,1311 263.611,1312 36.447,1313 8.127,1314 144.82,1315 144.82,1316 28,1317 12.882,1318 4.807,1319 3.858,1320 43.179,1321 110,1322 112,1323 0.186,1324 202.461,1325 325.37,1326 485.764,1327 36109,1329 21.372,1330 0.689,1331 0.54,1332 21.372,1333 16.735,1334 15.119,1335 0.432,1336 0.268,1337 9.19,1338 14.316,1339 8.981,1340 7.482,1341 15.119,1342 9.39,1343 13.751,1344 0.275,1345 0.133,1346 13.751,1347 6.664,1348 11.701,1349 0.17,1350 0.067,1351 11.701,1352 4.618,1353 10.7,1354 0.109,1355 0.034,1356 10.7,1357 3.338,1358 8.215,1359 0.067,1360 0.017,1361 8.215,1362 2.119,1363 0.283,1364 96.102,1365 0.205,1366 28.436,1367 0.544,1368 170,1369 529.229,1370 192.306,1371 515.945,1372 729.2,1373 486,1374 204,1375 570.419,1376 226.862,1377 574.491,1378 844.05,1379 540,1380 6.572}
{0 CHEMBL2172484,1 1.528,2 9.5,3 2.612,4 6.824,5 110.304,6 8.302,7 0.794,8 4.021,9 4.16,10 3.687,11 3.524,12 5.228,13 3.547,14 4.488,15 4.666,16 4.069,17 3.894,18 5.701,19 3.904,20 4.631,21 4.831,22 4.037,23 3.982,24 5.743,25 3.968,26 4.662,27 4.854,28 4.071,29 4.021,30 5.783,31 3.989,32 4.744,33 4.957,34 4.112,35 4.043,36 5.837,37 4.022,38 4.787,39 5.006,40 4.171,41 4.077,42 5.922,43 4.057,44 4.798,45 5.022,46 4.05,47 4.053,48 5.903,49 4.015,50 4.727,51 4.963,52 3.923,53 3.954,54 5.811,55 3.895,56 0.107,57 0.866,58 8.076,59 3.232,60 10.366,61 4.119,62 0.306,63 1.313,64 14.926,65 5.583,66 25.388,67 7.459,68 0.398,69 1.433,70 18.351,71 5.832,72 29.233,73 7.744,74 0.308,75 1.473,76 18.487,77 7.189,78 25.643,79 9.719,80 0.389,81 1.56,82 21.533,83 6.999,84 31.977,85 9.684,86 0.461,87 1.625,88 22.984,89 7.566,90 35.52,91 10.545,92 0.444,93 1.594,94 23.283,95 6.999,96 38.213,97 9.681,98 0.374,99 1.433,100 22.742,101 7.466,102 37.758,103 10.608,104 10,105 49,106 0.253,107 0.654,108 0.818,109 0.886,110 0.886,111 0.886,112 3.442,113 0.818,114 -5.33,115 -5.21,116 -4.87,119 41.7,120 2,142 5,143 2,145 1,146 1,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 5,174 4,175 9,177 2,178 4,180 2,183 6,186 2,187 4,190 1,191 1,195 4,198 3,199 6,201 1,202 3,204 2,207 4,209 1,211 2,212 8,214 1,215 2,217 2,220 1,223 4,224 12,226 1,227 3,228 1,229 2,231 1,232 2,237 8,240 2,242 5,245 4,247 2,249 2,250 6,252 1,253 1,255 5,258 4,260 3,262 2,263 6,266 2,267 1,268 5,270 1,271 4,273 2,275 1574,276 20.411,277 20.411,278 20.411,279 20.411,280 20.411,281 17.209,282 17.5,283 11.982,284 20.997,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 12.063,291 24.859,292 5.787,293 17.839,294 4.057,295 1.64,296 0.648,297 0.24,298 0.24,299 0.24,300 4.15,304 1,305 1,306 630,307 2.55,310 136.529,311 251.709,314 115.085,318 1.533,319 22.073,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 65,331 285,332 4.716,333 3.331,334 6.952,335 4.238,336 3.3,337 4.66,338 0.4,339 11.817,340 3.098,341 4.245,342 2.907,343 6.182,344 3.857,345 2.872,346 3.889,348 9.217,349 2.829,350 4.096,351 2.79,352 5.826,353 3.602,354 2.682,355 3.747,357 8.09,358 2.466,359 3.936,360 2.657,361 5.553,362 3.489,363 2.546,364 3.496,366 7.475,367 2.397,368 3.686,369 2.407,370 5.287,371 3.242,372 2.282,373 3.155,375 6.601,376 2.187,377 3.494,378 2.177,379 5.045,380 3.055,381 2.105,382 2.868,384 6.052,385 1.996,386 3.232,387 2.081,388 4.925,389 2.797,390 1.879,391 2.481,393 5.467,394 1.723,395 3.208,396 1.919,397 4.618,398 2.753,399 1.827,400 2.467,402 4.963,403 1.688,404 2.927,405 1.48,406 4.539,407 2.399,408 1.45,409 2.126,411 4.309,412 1.385,413 2.861,414 1.443,415 4.224,416 2.374,417 1.402,418 2.02,420 3.743,421 1.348,422 2.604,423 1.202,424 3.574,425 2.09,426 1.147,427 1.653,428 2.561,429 1.08,430 2.552,431 1.097,432 3.473,433 2.038,434 1.085,435 1.574,436 2.508,437 1.031,438 2.118,439 0.618,440 3.376,441 1.604,442 0.618,443 0.927,445 1.553,446 0.609,447 2.031,448 0.561,449 3,450 1.506,451 0.555,452 0.812,454 1.372,455 0.527,456 1.245,457 0.054,458 2.875,459 0.864,460 -0.064,461 -0.08,463 -0.185,464 -0.059,465 14,466 0.467,467 0.78,468 0.026,469 46.5,470 1.55,471 25,472 0.833,473 21.5,474 0.717,475 21.087,476 0.703,477 30.4,478 0.633,479 35.038,480 1.168,481 9.18,482 0.306,483 5.384,484 0.179,485 0.1,487 0.386,493 1.017,494 1.387,495 0.708,496 0.998,497 1.091,498 0.832,499 0.683,500 1.064,501 0.657,502 0.919,503 0.488,504 0.808,505 1.274,506 0.923,507 1.048,508 0.836,509 1.24,510 0.887,511 0.727,512 1.138,513 0.903,514 1.161,515 0.628,516 1.083,517 1.071,518 1.1,519 0.939,520 0.974,521 1.097,522 0.939,523 0.883,524 0.984,525 0.846,526 0.919,527 0.682,528 0.884,529 1.345,530 1.065,531 1.163,532 0.994,533 1.245,534 1.034,535 0.985,536 1.086,537 1.029,538 1.093,539 1.002,540 1.074,541 6.5,542 0.143,543 2.667,544 2.514,545 1.374,546 1.289,547 0.835,548 0.484,549 0.442,550 0.199,551 11256,552 31299,553 2.165,554 37.5,556 5,557 2,558 1,559 4,560 6,564 1.737,565 2.045,566 3.238,567 1.697,568 1,569 1,573 73.362,574 1.528,575 3.945,576 4.937,577 5.345,578 5.345,579 5.345,580 2.678,581 4.507,582 4.876,583 3.42,584 1487.8,585 8.556,586 20081.4,588 1,590 1,591 268.078,592 1.347,593 4.848,594 0.191,595 0.007,596 0.054,597 0.053,598 0.029,599 0.026,600 0.016,601 0.011,602 0.011,603 0.007,604 0.405,606 0.88,607 0.496,608 150.929,609 -0.11,610 -0.212,611 0.044,612 -0.044,613 -0.24,614 0.016,615 0.292,616 0.043,617 0.192,618 0.034,619 0.348,620 0.082,621 -0.222,622 0.165,623 -0.162,624 0.094,625 -0.331,626 -0.001,627 0.143,628 -0.092,629 -0.024,630 -0.164,631 0.164,632 -0.133,633 -0.068,634 -0.066,635 -0.011,636 -0.017,637 -0.152,638 -0.005,639 0.129,640 0.039,641 0.098,642 0.04,643 0.23,644 0.059,645 -0.29,646 -0.04,647 -0.215,648 -0.054,649 -0.224,650 -0.108,651 -0.041,652 -0.124,653 -0.045,654 -0.101,655 0.013,656 -0.079,657 1.515,658 1.897,659 0.867,660 28.467,661 1.012,662 1.138,663 4.099,664 16.799,665 0.69,666 3.555,667 3.912,668 4.205,669 4.554,670 4.787,671 4.984,672 5.193,673 5.416,674 5.541,675 5.663,676 6.082,677 0.673,678 398.48,679 3.555,680 5.118,681 5.984,682 6.887,683 7.773,684 8.685,685 9.582,686 10.5,687 11.405,688 12.326,689 20.8,693 1,697 3,699 6,702 1,703 1,704 8,705 6,706 1,709 9,711 27,722 1,724 1,731 48,733 27,735 34,737 52,738 20,739 18,746 5,747 6,752 2,761 18,762 2,778 1,781 18,782 8,783 4,784 10,787 1,790 10,794 0.8,803 1,805 2,811 2,812 3,815 1,840 4,844 2,848 30,849 1,855 1,877 14.667,878 9.4,879 6.389,880 2.679,881 4.208,882 1.523,883 1.055,884 4.471,885 12.252,886 3.882,887 4.57,888 5.215,889 5.899,890 6.453,891 6.913,892 7.472,893 8.032,894 8.465,895 8.932,896 1,897 47,898 10.965,900 4.681,901 7.689,902 20.753,904 16.885,905 2.189,906 65.667,909 1,910 164.795,911 116.985,912 169.448,917 116.985,918 164.795,919 169.448,920 17.65,922 98.373,923 114.077,924 58.791,925 32.854,926 129.482,928 164.795,929 286.433,933 169.451,937 69.029,938 112.157,939 100.591,941 164.795,942 169.448,943 116.985,946 164.795,947 24.811,948 93.46,949 34.674,950 133.488,951 164.795,952 169.448,953 116.985,955 0.587,956 0.336,957 0.194,958 0.104,959 26,960 11,961 0.077,962 4,963 1,964 1.077,965 4.081,966 288.79,967 0.077,968 26,969 147.207,974 18.372,975 7.301,976 3.557,977 0.731,978 151.499,979 15.304,980 26.081,981 2.783,984 5.97,986 67.571,987 451.228,988 47.5,999 48.552,1000 54.644,1001 0.274,1002 0.706,1003 0.884,1004 0.957,1005 0.957,1006 0.957,1007 5.116,1008 1.827,1009 5.979,1010 5.467,1011 4.595,1012 5.257,1013 0.278,1014 6.812,1015 4.486,1016 6.356,1017 1.45,1018 7.543,1019 4.963,1020 4.205,1021 5.094,1023 7.714,1024 4.04,1025 7.679,1026 1.402,1027 9.203,1028 4.309,1029 6.205,1030 7.541,1031 0.05,1032 10.859,1033 5.988,1034 9.038,1035 1.147,1036 10.922,1037 3.743,1038 6.621,1039 8.209,1041 12.64,1042 6.351,1043 10.428,1044 1.085,1045 12.681,1046 2.561,1047 8.099,1048 10.108,1049 0.008,1050 15.312,1051 7.778,1052 11.84,1053 0.618,1054 14.469,1055 2.508,1056 8.904,1057 11.196,1059 17.488,1060 8.529,1061 13.272,1062 0.555,1063 16.281,1064 1.553,1065 10.176,1066 12.863,1067 0.001,1068 20.006,1069 9.748,1070 3.3,1071 -0.064,1072 18.111,1073 1.372,1074 11.172,1075 14.169,1077 22.352,1078 10.686,1079 2.872,1080 11.817,1081 19.958,1082 -0.185,1083 12.367,1084 15.741,1086 24.825,1087 11.826,1088 2.682,1089 9.217,1090 21.818,1091 4.66,1092 13.455,1093 17.158,1095 27.242,1096 12.853,1097 2.546,1098 8.09,1099 23.689,1100 3.889,1101 14.626,1102 18.694,1104 29.705,1105 13.966,1106 2.282,1107 7.475,1108 25.57,1109 3.747,1110 15.759,1111 20.167,1113 32.15,1114 15.036,1115 2.105,1116 6.601,1117 27.46,1118 3.496,1119 16.927,1120 21.693,1122 34.613,1123 16.143,1124 1.879,1125 6.052,1126 29.357,1127 3.155,1128 18.083,1129 23.195,1131 37.071,1132 17.234,1133 10491,1134 17684,1135 23.175,1136 33.103,1137 52.292,1138 51.232,1139 52.441,1140 51.571,1141 51.503,1142 71.747,1143 0.8,1144 151.457,1145 48.726,1146 5.512,1147 5.331,1148 6.566,1149 5.338,1150 5.3,1151 7.66,1152 0.8,1153 19.033,1154 5.052,1155 12.438,1156 1.538,1157 1.507,1158 1.542,1159 1.517,1160 1.515,1161 2.11,1162 0.024,1163 4.455,1164 1.433,1165 4.162,1166 4.209,1167 4.141,1168 4.018,1169 5.268,1170 4.041,1171 3.891,1172 3.949,1173 3.844,1174 3.76,1175 5.08,1176 3.776,1177 3.848,1178 3.908,1179 3.801,1180 3.645,1181 4.978,1182 3.674,1183 3.766,1184 3.831,1185 3.727,1186 3.555,1187 4.86,1188 3.591,1189 3.357,1190 3.413,1191 3.288,1192 3.22,1193 4.683,1194 3.231,1195 3.17,1196 3.276,1197 2.992,1198 3.008,1199 4.295,1200 2.987,1201 3.14,1202 3.225,1203 2.958,1204 2.91,1205 4.011,1206 2.915,1207 2.949,1208 3.033,1209 2.85,1210 2.782,1211 3.881,1212 2.787,1213 0.139,1214 0.098,1215 0.204,1216 0.125,1217 0.097,1218 4.716,1219 0.137,1220 3.331,1221 0.012,1222 6.952,1223 0.348,1224 4.238,1225 0.091,1226 3.3,1227 4.66,1228 0.4,1229 11.817,1230 3.098,1231 1.983,1232 1.952,1233 2.061,1234 2.109,1235 1.186,1236 2.094,1237 1.775,1238 1.727,1239 1.872,1240 1.971,1241 0.945,1242 1.941,1243 1.69,1244 1.638,1245 1.804,1246 1.877,1247 0.808,1248 1.862,1249 1.523,1250 1.471,1251 1.666,1252 1.73,1253 0.716,1254 1.702,1255 1.371,1256 1.3,1257 1.539,1258 1.686,1259 0.609,1260 1.65,1261 1.211,1262 1.136,1263 1.527,1264 1.45,1265 0.568,1266 1.471,1267 1.19,1268 1.103,1269 1.421,1270 1.411,1271 0.27,1272 1.454,1273 1.095,1274 0.999,1275 1.274,1276 1.389,1277 0.184,1278 1.367,1279 4.234,1281 5.58,1282 3.045,1283 7.107,1284 5.352,1285 8.725,1286 7.424,1287 10.393,1289 3.74,1293 5.897,1296 3.222,1305 32.321,1306 73.362,1307 189.349,1308 236.959,1309 256.568,1310 256.568,1311 256.568,1312 33.836,1313 8.044,1314 135.59,1315 135.59,1316 28,1317 12.837,1318 4.807,1319 3.858,1320 41.179,1321 104,1322 111,1323 0.187,1324 198.464,1325 316.58,1326 476.013,1327 32468,1329 20.665,1330 0.689,1331 0.544,1332 20.665,1333 16.327,1334 14.564,1335 0.428,1336 0.273,1337 9.114,1338 13.903,1339 8.877,1340 7.396,1341 14.564,1342 9.271,1343 13.666,1344 0.279,1345 0.139,1346 13.666,1347 6.79,1348 11.247,1349 0.17,1350 0.069,1351 11.247,1352 4.572,1353 10.285,1354 0.109,1355 0.035,1356 10.285,1357 3.301,1358 7.897,1359 0.066,1360 0.018,1361 7.897,1362 2.1,1363 0.283,1364 91.658,1365 0.208,1366 27.726,1367 0.544,1368 166,1369 481.494,1370 185.316,1371 478.35,1372 680.58,1373 450,1374 198,1375 538.874,1376 217.539,1377 544.156,1378 797.1,1379 513,1380 6.622}
{0 CHEMBL2172485,1 1.557,2 9.414,3 1.702,4 2.895,5 104.566,6 8.76,7 0.818,8 3.957,9 4.094,10 3.664,11 3.435,12 5.209,13 3.479,14 4.408,15 4.582,16 4.034,17 3.804,18 5.67,19 3.834,20 4.531,21 4.723,22 3.998,23 3.879,24 5.678,25 3.883,26 4.566,27 4.759,28 4.033,29 3.895,30 5.742,31 3.892,32 4.632,33 4.842,34 4.074,35 3.919,36 5.785,37 3.928,38 4.663,39 4.869,40 4.131,41 3.967,42 5.853,43 3.972,44 4.686,45 4.899,46 4.015,47 3.939,48 5.862,49 3.924,50 4.623,51 4.862,52 3.858,53 3.834,54 5.768,55 3.785,56 0.142,57 0.83,58 6.485,59 2.691,60 10.676,61 3.179,62 0.365,63 1.235,64 12.097,65 4.563,66 26.225,67 5.689,68 0.394,69 1.317,70 14.706,71 5.034,72 25.899,73 6.272,74 0.372,75 1.352,76 15.388,77 5.769,78 26.511,79 7.502,80 0.495,81 1.418,82 17.589,83 5.36,84 34.046,85 6.907,86 0.46,87 1.474,88 18.057,89 6.103,90 31.63,91 8.055,92 0.492,93 1.448,94 18.314,95 5.744,96 37.097,97 7.348,98 0.496,99 1.276,100 19.645,101 6.584,102 41.282,103 9.036,104 5,105 47,106 0.262,107 0.67,108 0.844,109 0.87,110 0.87,111 0.87,112 3.409,113 0.791,114 -4.96,115 -4.86,116 -4.56,119 40.9,120 1,142 3,143 2,145 2,147 2,148 1,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 3,174 5,175 8,177 2,178 4,180 2,183 2,186 2,187 5,190 1,191 1,195 1,198 3,199 5,201 1,202 3,204 2,209 1,211 4,212 9,214 1,215 2,217 2,223 3,224 8,226 1,227 3,228 1,229 2,231 1,232 1,236 2,237 4,240 2,242 3,245 4,247 2,249 5,250 5,252 1,253 3,255 5,258 4,260 3,266 1,267 1,268 2,270 1,275 1451,276 19.963,277 19.963,278 19.963,279 19.963,280 19.963,281 16.786,282 15.074,283 11.859,284 20.607,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 11.652,291 23.388,292 5.731,293 17.442,294 3.903,295 1.478,296 0.443,297 0.29,298 0.29,299 0.29,300 4.12,303 1,304 1,305 1,306 607,307 2.449,310 130.271,311 241.475,314 110.332,318 1.503,319 23.38,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 63.5,331 273,332 4.715,333 3.331,334 6.952,335 4.237,336 3.299,337 4.66,338 0.4,339 11.817,340 3.096,341 4.214,342 2.863,343 6.161,344 3.819,345 2.84,346 3.857,348 9.127,349 2.785,350 4.075,351 2.78,352 5.819,353 3.594,354 2.672,355 3.692,357 8.065,358 2.459,359 3.927,360 2.624,361 5.552,362 3.476,363 2.534,364 3.489,366 7.464,367 2.382,368 3.596,369 2.229,370 5.285,371 3.13,372 2.181,373 3.039,375 6.582,376 2.066,377 3.327,378 2.083,379 4.936,380 2.818,381 1.887,382 2.692,384 5.527,385 1.756,386 3.232,387 1.946,388 4.618,389 2.795,390 1.879,391 2.481,393 4.963,394 1.719,395 3.145,396 1.764,397 4.556,398 2.661,399 1.73,400 2.39,402 4.523,403 1.608,404 2.925,405 1.455,406 4.423,407 2.381,408 1.444,409 2.125,411 4.186,412 1.35,413 2.648,414 1.221,415 3.575,416 2.123,417 1.18,418 1.717,420 2.708,421 1.11,422 2.554,423 1.126,424 3.511,425 2.045,426 1.102,427 1.577,428 2.533,429 1.037,430 2.5,431 1,432 3.373,433 1.917,434 1,435 1.5,436 2.136,437 0.916,438 2.118,439 0.618,440 3.247,441 1.604,442 0.618,443 0.927,445 1.547,446 0.609,447 2.03,448 0.56,449 3,450 1.505,451 0.554,452 0.811,454 1.372,455 0.526,456 1.244,457 0.053,458 2.858,459 0.862,460 -0.064,461 -0.08,463 -0.183,464 -0.059,465 13.4,466 0.462,467 0.674,468 0.023,469 46.5,470 1.603,471 25,472 0.862,473 21.5,474 0.741,475 18.602,476 0.641,477 29.2,478 0.664,479 34.284,480 1.182,481 9.208,482 0.318,483 4.962,484 0.171,485 0.067,487 0.366,493 1.053,494 1.464,495 0.67,496 1.014,497 1.063,498 0.806,499 0.769,500 0.989,501 0.697,502 0.868,503 0.593,504 0.786,505 1.152,506 1.033,507 1.004,508 0.93,509 1.12,510 0.933,511 0.84,512 1.162,513 0.888,514 1.124,515 0.674,516 1.039,517 1.179,518 0.985,519 0.974,520 0.848,521 1.236,522 0.861,523 0.921,524 1.065,525 0.839,526 0.955,527 0.707,528 0.894,529 1.278,530 1.098,531 1.202,532 1.075,533 1.248,534 1.112,535 0.808,536 0.859,537 1.035,538 1.051,539 0.908,540 1.086,541 5.5,542 0.061,543 2.444,544 2.326,545 1.103,546 1.233,547 0.815,548 0.434,549 0.336,550 0.199,551 10359,552 31012,553 2.193,554 34.1,556 3,557 2,558 3,559 4,560 3,564 1.729,565 2.096,566 3.204,567 1.766,568 1,569 1,573 68.499,574 1.557,575 3.982,576 5.016,577 5.17,578 5.17,579 5.17,580 2.664,581 4.375,582 4.826,583 3.376,584 1370.64,585 8.459,586 18035.2,588 1,590 1,591 240.215,592 1.247,593 4.809,594 0.167,595 0.004,596 0.052,597 0.052,598 0.024,599 0.026,600 0.016,601 0.01,602 0.009,603 0.007,604 0.366,606 0.88,607 0.434,608 144.086,609 -0.17,610 -0.297,611 0.037,612 -0.078,613 -0.238,614 0.006,615 0.202,616 0.124,617 0.111,618 0.062,619 0.24,620 0.065,621 -0.191,622 0.033,623 -0.146,624 0.017,625 -0.281,626 -0.04,627 0.069,628 -0.124,629 -0.008,630 -0.146,631 0.155,632 -0.105,633 -0.139,634 0.054,635 -0.059,636 0.077,637 -0.259,638 0.037,639 0.048,640 -0.04,641 0.075,642 0.007,643 0.191,644 0.039,645 -0.262,646 -0.076,647 -0.28,648 -0.139,649 -0.239,650 -0.199,651 0.134,652 0.08,653 -0.016,654 -0.042,655 0.111,656 -0.059,657 1.527,658 1.871,659 0.897,660 26.863,661 1.02,662 1.143,663 3.727,664 13.892,665 0.695,666 3.526,667 3.871,668 4.174,669 4.522,670 4.754,671 4.949,672 5.165,673 5.38,674 5.493,675 5.606,676 5.911,677 0.688,678 385.44,679 3.526,680 5.081,681 5.948,682 6.847,683 7.734,684 8.644,685 9.543,686 10.46,687 11.366,688 12.287,689 25,693 1,697 3,699 7,702 1,703 1,704 8,705 7,706 1,709 8,711 27,722 1,724 1,731 44,733 27,735 33,737 48,738 18,739 17,746 5,747 6,752 1,761 17,762 1,777 1,778 1,781 15,782 9,783 4,784 11,787 1,790 11,794 0.8,803 1,805 1,806 1,811 2,812 3,815 1,840 4,844 1,848 29,849 1,855 1,877 13.833,878 8.35,879 6.222,880 2.385,881 4.19,882 1.527,883 1.062,884 4.207,885 12.144,886 3.861,887 4.538,888 5.19,889 5.874,890 6.426,891 6.883,892 7.451,893 8.003,894 8.425,895 8.885,896 1,897 45,898 10.574,900 4.524,901 7.741,902 19.849,904 16.067,905 2.241,906 65,910 129.482,911 104.116,912 186.234,917 104.116,918 129.482,919 186.234,920 8.825,922 79.421,923 154.405,924 73.701,925 32.854,926 70.627,928 129.482,929 290.35,933 134.138,937 75.113,938 93.205,939 117.376,941 129.482,942 186.234,943 104.116,946 129.482,947 22.054,948 83.349,949 34.674,950 150.273,951 129.482,952 186.234,953 104.116,955 0.582,956 0.336,957 0.196,958 0.104,959 25,960 10,961 0.083,962 4,963 1,964 1.077,965 4.034,966 275.565,967 0.077,968 26,969 136.881,974 17.377,975 7.021,976 3.315,977 0.704,978 168.284,979 14.296,980 29.852,981 2.77,984 4.653,986 67.571,987 419.832,988 46.5,999 44.887,1000 50.312,1001 0.285,1002 0.729,1003 0.919,1004 0.947,1005 0.947,1006 0.947,1007 5.086,1008 1.73,1009 5.932,1010 4.963,1011 4.554,1012 5.226,1013 0.278,1014 6.763,1015 4.433,1016 6.317,1017 1.444,1018 7.492,1019 4.523,1020 4.111,1021 5.007,1023 7.664,1024 3.941,1025 7.634,1026 1.18,1027 9.151,1028 4.186,1029 6.155,1030 7.502,1031 0.05,1032 10.82,1033 5.921,1034 8.99,1035 1.102,1036 10.872,1037 2.708,1038 6.553,1039 8.148,1041 12.615,1042 6.273,1043 10.377,1044 1,1045 12.635,1046 2.533,1047 8.051,1048 10.069,1049 0.008,1050 15.288,1051 7.709,1052 11.79,1053 0.618,1054 14.428,1055 2.136,1056 8.852,1057 11.149,1059 17.473,1060 8.461,1061 13.223,1062 0.554,1063 16.244,1064 1.547,1065 10.134,1066 12.828,1067 0.001,1068 19.991,1069 9.682,1070 3.299,1071 -0.064,1072 18.08,1073 1.372,1074 11.13,1075 14.133,1077 22.342,1078 10.623,1079 2.84,1080 11.817,1081 19.93,1082 -0.183,1083 12.331,1084 15.711,1086 24.816,1087 11.763,1088 2.672,1089 9.127,1090 21.794,1091 4.66,1092 13.421,1093 17.13,1095 27.234,1096 12.793,1097 2.534,1098 8.065,1099 23.669,1100 3.857,1101 14.596,1102 18.67,1104 29.698,1105 13.906,1106 2.181,1107 7.464,1108 25.553,1109 3.692,1110 15.73,1111 20.145,1113 32.145,1114 14.978,1115 1.887,1116 6.582,1117 27.445,1118 3.489,1119 16.901,1120 21.675,1122 34.608,1123 16.084,1124 1.879,1125 5.527,1126 29.343,1127 3.039,1128 18.059,1129 23.179,1131 37.067,1132 17.177,1133 9601,1134 16785,1135 22.77,1136 30.586,1137 50.557,1138 49.606,1139 50.278,1140 49.91,1141 49.844,1142 69.912,1143 0.8,1144 145.102,1145 46.832,1146 5.511,1147 5.331,1148 6.754,1149 5.337,1150 5.299,1151 7.66,1152 0.8,1153 19.032,1154 5.047,1155 9.806,1156 1.532,1157 1.503,1158 1.524,1159 1.512,1160 1.51,1161 2.119,1162 0.024,1163 4.397,1164 1.419,1165 4.158,1166 4.207,1167 4.139,1168 4.006,1169 5.269,1170 4.033,1171 3.876,1172 3.944,1173 3.826,1174 3.692,1175 5.09,1176 3.718,1177 3.824,1178 3.885,1179 3.789,1180 3.627,1181 5.017,1182 3.658,1183 3.741,1184 3.808,1185 3.703,1186 3.528,1187 4.939,1188 3.564,1189 3.328,1190 3.385,1191 3.264,1192 3.18,1193 4.684,1194 3.194,1195 3.166,1196 3.274,1197 2.99,1198 2.914,1199 4.29,1200 2.921,1201 2.957,1202 3.037,1203 2.868,1204 2.792,1205 4.01,1206 2.8,1207 2.84,1208 2.932,1209 2.737,1210 2.557,1211 3.962,1212 2.591,1213 0.143,1214 0.101,1215 0.211,1216 0.128,1217 0.1,1218 4.715,1219 0.141,1220 3.331,1221 0.012,1222 6.952,1223 0.358,1224 4.237,1225 0.094,1226 3.299,1227 4.66,1228 0.4,1229 11.817,1230 3.096,1231 1.961,1232 1.926,1233 2.03,1234 2.104,1235 1.153,1236 2.082,1237 1.74,1238 1.687,1239 1.825,1240 1.961,1241 0.832,1242 1.923,1243 1.628,1244 1.573,1245 1.735,1246 1.837,1247 0.732,1248 1.809,1249 1.523,1250 1.47,1251 1.666,1252 1.73,1253 0.705,1254 1.702,1255 1.371,1256 1.3,1257 1.538,1258 1.686,1259 0.575,1260 1.65,1261 1.192,1262 1.104,1263 1.422,1264 1.449,1265 0.269,1266 1.468,1267 1.096,1268 1.001,1269 1.274,1270 1.389,1271 0.171,1272 1.367,1273 0.941,1274 0.884,1275 1.093,1276 1.153,1277 0.095,1278 1.137,1279 4.205,1281 5.541,1282 3.045,1283 7.066,1284 5.352,1285 8.681,1286 7.424,1287 10.347,1289 1.762,1293 5.871,1296 3.198,1305 30.289,1306 68.499,1307 175.195,1308 220.705,1309 227.46,1310 227.46,1311 227.46,1312 31.602,1313 7.954,1314 148.48,1315 148.48,1316 28,1317 12.798,1318 4.807,1319 3.858,1320 39.185,1321 97,1322 112,1323 0.189,1324 186.074,1325 292.98,1326 445.781,1327 29095,1329 19.794,1330 0.683,1331 0.527,1332 19.794,1333 15.274,1334 14.17,1335 0.429,1336 0.264,1337 8.524,1338 13.441,1339 8.368,1340 6.953,1341 14.17,1342 8.7,1343 13.032,1344 0.277,1345 0.133,1346 13.032,1347 6.231,1348 10.92,1349 0.171,1350 0.066,1351 10.92,1352 4.236,1353 9.981,1354 0.11,1355 0.033,1356 9.981,1357 3.024,1358 7.67,1359 0.067,1360 0.017,1361 7.67,1362 1.904,1363 0.287,1364 89.841,1365 0.21,1366 26.948,1367 0.555,1368 160,1369 493.139,1370 180.426,1371 487.272,1372 688.69,1373 458,1374 191,1375 540.634,1376 212.038,1377 545.48,1378 797.95,1379 513,1380 7.071}
{0 CHEMBL2172486,1 1.549,2 9.467,3 1.984,4 3.937,5 109.158,6 8.499,7 0.794,8 4.01,9 4.15,10 3.693,11 3.49,12 5.24,13 3.525,14 4.474,15 4.656,16 4.073,17 3.86,18 5.706,19 3.882,20 4.596,21 4.789,22 4.057,23 3.953,24 5.733,25 3.954,26 4.653,27 4.839,28 4.099,29 4.001,30 5.816,31 3.985,32 4.764,33 4.987,34 4.123,35 4.02,36 5.877,37 4.009,38 4.767,39 4.987,40 4.17,41 4.043,42 5.91,43 4.036,44 4.762,45 4.978,46 4.075,47 4.02,48 5.908,49 3.997,50 4.709,51 4.945,52 3.94,53 3.92,54 5.845,55 3.869,56 0.13,57 0.869,58 7.518,59 2.986,60 10.877,61 3.758,62 0.364,63 1.298,64 14.322,65 5.148,66 27.756,67 6.819,68 0.405,69 1.408,70 16.627,71 5.371,72 27.664,73 6.999,74 0.341,75 1.479,76 17.059,77 6.617,78 25.782,79 8.814,80 0.526,81 1.561,82 21.97,83 6.517,84 39.457,85 9.015,86 0.498,87 1.584,88 22.136,89 6.976,90 35.27,91 9.735,92 0.478,93 1.551,94 21.13,95 6.552,96 38.036,97 8.933,98 0.488,99 1.397,100 21.653,101 7.163,102 42.507,103 10.078,104 10,105 49,106 0.258,107 0.671,108 0.838,109 0.883,110 0.883,111 0.883,112 3.442,113 0.805,114 -5.19,115 -5.08,116 -4.76,119 40.4,120 2,142 3,143 2,145 1,146 1,147 2,148 1,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 3,174 5,175 9,177 2,178 4,180 2,183 3,186 2,187 5,190 1,191 1,195 2,198 3,199 6,201 1,202 3,204 2,207 1,209 1,211 4,212 10,214 1,215 2,217 2,220 1,223 3,224 8,226 1,227 3,228 1,229 2,231 1,232 1,236 2,237 5,240 2,242 3,245 4,247 2,249 5,250 7,252 1,253 3,255 6,258 4,260 3,266 1,267 1,268 2,270 1,275 1558,276 20.463,277 20.463,278 20.463,279 20.463,280 20.463,281 17.233,282 17.5,283 12.018,284 21.114,285 16.847,286 16.847,287 16.847,288 16.847,289 16.847,290 12.041,291 24.859,292 5.775,293 17.916,294 4.005,295 1.52,296 0.516,297 0.245,298 0.245,299 0.245,300 4.15,304 1,305 1,306 628,307 2.55,310 135.464,311 250.41,314 113.97,318 1.502,319 24.127,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 65.5,331 284,332 4.718,333 3.334,334 6.953,335 4.242,336 3.302,337 4.662,338 0.4,339 11.822,340 3.107,341 4.327,342 3.029,343 6.447,344 3.947,345 2.966,346 3.974,348 9.94,349 2.903,350 4.111,351 2.795,352 5.856,353 3.608,354 2.691,355 3.776,357 8.162,358 2.469,359 3.938,360 2.667,361 5.559,362 3.493,363 2.552,364 3.497,366 7.497,367 2.399,368 3.644,369 2.305,370 5.291,371 3.186,372 2.233,373 3.103,375 6.618,376 2.126,377 3.397,378 2.091,379 5.055,380 2.931,381 1.984,382 2.761,384 5.821,385 1.877,386 3.232,387 2.041,388 4.906,389 2.796,390 1.879,391 2.481,393 5.319,394 1.721,395 3.162,396 1.88,397 4.618,398 2.713,399 1.783,400 2.402,402 4.963,403 1.653,404 2.925,405 1.496,406 4.53,407 2.381,408 1.444,409 2.125,411 4.264,412 1.35,413 2.862,414 1.455,415 3.916,416 2.337,417 1.414,418 2.018,420 3.137,421 1.303,422 2.628,423 1.217,424 3.586,425 2.109,426 1.168,427 1.687,428 2.799,429 1.097,430 2.552,431 1.113,432 3.572,433 2.039,434 1.094,435 1.575,436 2.538,437 1.031,438 2.118,439 0.618,440 3.376,441 1.604,442 0.618,443 0.927,445 1.557,446 0.609,447 2.037,448 0.571,449 3,450 1.513,451 0.563,452 0.821,454 1.372,455 0.533,456 1.295,457 0.139,458 2.876,459 0.924,460 -0.009,461 -0.011,463 -0.023,464 -0.008,465 13.9,466 0.463,467 0.763,468 0.025,469 47,470 1.567,471 25,472 0.833,473 22,474 0.733,475 20.96,476 0.699,477 30.5,478 0.649,479 35.408,480 1.18,481 9.273,482 0.309,483 5.308,484 0.177,485 0.101,487 0.388,493 1.031,494 1.469,495 0.69,496 1.036,497 1.066,498 0.836,499 0.721,500 1.006,501 0.647,502 0.858,503 0.541,504 0.759,505 1.218,506 0.999,507 1.003,508 0.867,509 1.166,510 0.885,511 0.794,512 1.238,513 0.932,514 1.237,515 0.654,516 1.137,517 1.143,518 0.993,519 0.987,520 0.895,521 1.22,522 0.905,523 0.941,524 1.007,525 0.836,526 0.893,527 0.695,528 0.851,529 1.204,530 1.109,531 1.126,532 1.065,533 1.176,534 1.077,535 0.827,536 0.964,537 1.034,538 1.112,539 0.893,540 1.116,541 6,542 0.099,543 2.889,544 2.764,545 1.294,546 1.261,547 0.881,548 0.569,549 0.336,550 0.298,551 11148,552 32383,553 2.165,554 36.2,556 3,557 2,558 2,559 4,560 6,564 1.737,565 2.045,566 3.216,567 1.73,568 1,569 1,573 72.814,574 1.549,575 4.035,576 5.038,577 5.31,578 5.31,579 5.31,580 2.641,581 4.507,582 4.877,583 3.394,584 1476.34,585 8.559,586 19892.2,588 1,590 1,591 261.066,592 1.347,593 4.848,594 0.176,595 0.005,596 0.059,597 0.058,598 0.026,599 0.025,600 0.017,601 0.012,602 0.008,603 0.01,604 0.396,606 0.88,607 0.496,608 150.651,609 -0.141,610 -0.285,611 0.043,612 -0.078,613 -0.229,614 0.003,615 0.256,616 0.104,617 0.195,618 0.092,619 0.305,620 0.124,621 -0.222,622 0.096,623 -0.146,624 0.075,625 -0.301,626 -0.002,627 0.081,628 -0.171,629 -0.077,630 -0.243,631 0.141,632 -0.203,633 -0.103,634 0.03,635 -0.041,636 0.048,637 -0.235,638 0.022,639 0.048,640 0.006,641 0.11,642 0.075,643 0.197,644 0.1,645 -0.199,646 -0.08,647 -0.201,648 -0.115,649 -0.177,650 -0.15,651 0.122,652 0.001,653 -0.048,654 -0.119,655 0.121,656 -0.119,657 1.526,658 1.89,659 0.867,660 27.933,661 1.016,662 1.143,663 3.96,664 15.678,665 0.688,666 3.555,667 3.912,668 4.22,669 4.564,670 4.787,671 4.984,672 5.204,673 5.429,674 5.541,675 5.673,676 6.011,677 0.677,678 399.47,679 3.555,680 5.118,681 5.989,682 6.893,683 7.783,684 8.696,685 9.597,686 10.516,687 11.423,688 12.346,689 23.4,693 1,697 3,699 7,702 1,703 1,704 7,705 7,706 1,709 9,711 27,722 1,724 1,731 47,733 27,735 34,737 51,738 19,739 17,746 5,747 6,752 2,761 17,762 2,778 1,781 17,782 9,783 4,784 11,787 1,790 11,794 0.8,803 1,805 1,806 1,811 2,812 3,815 1,840 4,844 2,848 30,849 1,855 1,877 14.667,878 9.267,879 6.417,880 2.597,881 4.233,882 1.526,883 1.052,884 4.434,885 12.277,886 3.882,887 4.57,888 5.223,889 5.905,890 6.453,891 6.913,892 7.48,893 8.041,894 8.461,895 8.931,896 1,897 48,898 10.953,900 4.677,901 7.722,902 20.623,904 16.706,905 2.222,906 66.667,910 153.024,911 106.651,912 186.234,917 106.651,918 153.024,919 186.234,920 17.65,922 79.421,923 142.634,924 67.41,925 32.854,926 105.94,928 153.024,929 292.884,933 157.68,937 77.648,938 93.205,939 117.376,941 153.024,942 186.234,943 106.651,946 153.024,947 24.811,948 83.126,949 34.674,950 150.273,951 153.024,952 186.234,953 106.651,955 0.587,956 0.342,957 0.198,958 0.103,959 26,960 11,961 0.078,962 4,963 1,964 1.077,965 4.064,966 290.056,967 0.077,968 26,969 147.207,974 18.311,975 7.265,976 3.425,977 0.706,978 168.284,979 12.683,980 30.188,981 2.776,984 5.599,986 67.571,987 445.909,988 47.5,999 47.771,1000 53.727,1001 0.279,1002 0.726,1003 0.907,1004 0.956,1005 0.956,1006 0.956,1007 5.116,1008 1.783,1009 5.984,1010 5.319,1011 4.595,1012 5.257,1013 0.278,1014 6.828,1015 4.477,1016 6.356,1017 1.444,1018 7.555,1019 4.963,1020 4.205,1021 5.094,1023 7.761,1024 4.04,1025 7.681,1026 1.414,1027 9.226,1028 4.264,1029 6.213,1030 7.546,1031 0.05,1032 10.914,1033 5.986,1034 9.044,1035 1.168,1036 10.957,1037 3.137,1038 6.648,1039 8.227,1041 12.723,1042 6.381,1043 10.438,1044 1.094,1045 12.729,1046 2.799,1047 8.126,1048 10.124,1049 0.008,1050 15.396,1051 7.799,1052 11.856,1053 0.618,1054 14.53,1055 2.538,1056 8.951,1057 11.225,1059 17.582,1060 8.582,1061 13.293,1062 0.563,1063 16.353,1064 1.557,1065 10.224,1066 12.89,1067 0.001,1068 20.098,1069 9.798,1070 3.302,1071 -0.009,1072 18.194,1073 1.372,1074 11.233,1075 14.203,1077 22.442,1078 10.76,1079 2.966,1080 11.822,1081 20.05,1082 -0.023,1083 12.429,1084 15.773,1086 24.911,1087 11.901,1088 2.691,1089 9.94,1090 21.917,1091 4.662,1092 13.524,1093 17.193,1095 27.321,1096 12.944,1097 2.552,1098 8.162,1099 23.795,1100 3.974,1101 14.697,1102 18.727,1104 29.778,1105 14.061,1106 2.233,1107 7.497,1108 25.681,1109 3.776,1110 15.832,1111 20.201,1113 32.216,1114 15.141,1115 1.984,1116 6.618,1117 27.573,1118 3.497,1119 17.001,1120 21.725,1122 34.673,1123 16.252,1124 1.879,1125 5.821,1126 29.472,1127 3.103,1128 18.157,1129 23.226,1131 37.124,1132 17.35,1133 10392,1134 17895,1135 23.175,1136 32.347,1137 52.185,1138 51.245,1139 52.624,1140 51.449,1141 51.385,1142 71.618,1143 0.8,1144 151.618,1145 48.357,1146 5.514,1147 5.334,1148 6.638,1149 5.342,1150 5.302,1151 7.662,1152 0.8,1153 19.043,1154 5.059,1155 12.304,1156 1.535,1157 1.507,1158 1.548,1159 1.513,1160 1.511,1161 2.106,1162 0.024,1163 4.459,1164 1.422,1165 4.161,1166 4.209,1167 4.141,1168 4.011,1169 5.269,1170 4.037,1171 3.882,1172 3.947,1173 3.838,1174 3.714,1175 5.088,1176 3.738,1177 3.838,1178 3.899,1179 3.798,1180 3.636,1181 5.008,1182 3.667,1183 3.756,1184 3.823,1185 3.719,1186 3.541,1187 4.935,1188 3.578,1189 3.332,1190 3.389,1191 3.267,1192 3.19,1193 4.684,1194 3.202,1195 3.166,1196 3.274,1197 2.99,1198 2.916,1199 4.29,1200 2.921,1201 3.118,1202 3.22,1203 2.917,1204 2.9,1205 4.051,1206 2.89,1207 2.956,1208 3.036,1209 2.864,1210 2.791,1211 4.01,1212 2.799,1213 0.139,1214 0.098,1215 0.205,1216 0.125,1217 0.097,1218 4.718,1219 0.137,1220 3.334,1221 0.012,1222 6.953,1223 0.348,1224 4.242,1225 0.091,1226 3.302,1227 4.662,1228 0.4,1229 11.822,1230 3.107,1231 1.968,1232 1.934,1233 2.039,1234 2.108,1235 1.17,1236 2.088,1237 1.75,1238 1.698,1239 1.839,1240 1.967,1241 0.89,1242 1.93,1243 1.659,1244 1.606,1245 1.785,1246 1.861,1247 0.799,1248 1.839,1249 1.523,1250 1.47,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.539,1258 1.686,1259 0.583,1260 1.65,1261 1.193,1262 1.105,1263 1.461,1264 1.449,1265 0.459,1266 1.469,1267 1.123,1268 1.027,1269 1.421,1270 1.389,1271 0.268,1272 1.423,1273 1.096,1274 1,1275 1.274,1276 1.386,1277 0.17,1278 1.367,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.736,1286 7.424,1287 10.411,1289 3.707,1293 5.89,1296 3.21,1305 31.816,1306 72.814,1307 189.64,1308 236.801,1309 249.556,1310 249.556,1311 249.556,1312 34.331,1313 8.044,1314 148.48,1315 148.48,1316 28,1317 12.856,1318 4.807,1319 3.858,1320 41.159,1321 103,1322 109,1323 0.189,1324 195.666,1325 310.28,1326 469.186,1327 32468,1329 20.665,1330 0.689,1331 0.54,1332 20.665,1333 16.197,1334 14.581,1335 0.429,1336 0.268,1337 8.952,1338 13.852,1339 8.73,1340 7.27,1341 14.581,1342 9.127,1343 13.56,1344 0.277,1345 0.135,1346 13.56,1347 6.626,1348 11.386,1349 0.17,1350 0.068,1351 11.386,1352 4.565,1353 10.381,1354 0.109,1355 0.034,1356 10.381,1357 3.239,1358 7.888,1359 0.066,1360 0.017,1361 7.888,1362 2.011,1363 0.286,1364 92.259,1365 0.208,1366 27.669,1367 0.553,1368 166,1369 501.139,1370 186.76,1371 495.555,1372 702.58,1373 466,1374 199,1375 553.987,1376 220.204,1377 558.945,1378 818.9,1379 526,1380 7.167}
{0 CHEMBL2172487,1 1.619,2 11.061,3 2.601,4 6.764,5 120.952,6 8.312,7 0.73,8 4.113,9 4.249,10 3.771,11 3.611,12 5.334,13 3.634,14 4.58,15 4.749,16 4.154,17 3.98,18 5.83,19 3.989,20 4.752,21 4.947,22 4.125,23 4.072,24 5.904,25 4.06,26 4.772,27 4.967,28 4.184,29 4.119,30 5.925,31 4.094,32 4.852,33 5.051,34 4.226,35 4.161,36 6.002,37 4.143,38 4.92,39 5.137,40 4.278,41 4.203,42 6.068,43 4.179,44 4.917,45 5.132,46 4.173,47 4.178,48 6.057,49 4.14,50 4.874,51 5.102,52 4.068,53 4.091,54 5.998,55 4.035,56 0.136,57 0.931,58 8.914,59 3.631,60 12.026,61 4.566,62 0.363,63 1.409,64 16.235,65 6.338,66 29.135,67 8.379,68 0.522,69 1.557,70 21.34,71 6.781,72 47.662,73 8.715,74 0.371,75 1.611,76 21.233,77 8.139,78 31.339,79 10.991,80 0.473,81 1.718,82 23.542,83 7.963,84 44.012,85 10.612,86 0.542,87 1.807,88 26.721,89 9.094,90 44.306,91 12.543,92 0.508,93 1.774,94 26.045,95 8.332,96 46.726,97 11.352,98 0.516,99 1.625,100 26.481,101 8.817,102 51.81,103 12.323,104 19,105 53,106 0.263,107 0.644,108 0.798,109 0.888,110 0.895,111 0.895,112 3.533,113 0.82,114 -5.38,115 -5.27,116 -4.92,119 41.5,120 2,142 7,143 2,144 1,147 2,149 2,150 1,151 2,152 1,158 1,161 1,163 1,164 1,165 1,168 1,172 7,174 4,175 7,177 2,178 5,180 5,183 8,186 2,187 3,190 1,191 1,192 2,195 6,198 3,199 7,201 1,202 3,204 4,207 6,209 1,211 2,212 10,214 1,215 2,217 3,220 4,223 3,224 13,226 1,227 4,228 1,229 3,231 1,232 4,237 10,240 2,242 5,245 5,247 2,249 2,250 10,252 1,253 2,255 6,258 5,260 3,263 6,266 3,267 2,268 5,270 1,271 4,273 2,275 2002,276 22.273,277 22.273,278 22.273,279 22.273,280 22.273,281 18.916,282 21.914,283 13.135,284 22.805,285 18.363,286 18.363,287 18.363,288 18.363,289 18.363,290 13.286,291 33.147,292 6.348,293 19.267,294 4.109,295 1.76,296 0.814,297 0.255,298 0.217,299 0.217,300 4.239,304 1,306 799,307 3.24,310 156.484,311 285.683,314 130.882,318 1.702,319 28.877,322 0.5,323 0.83,324 0.83,325 0.5,327 0.67,328 0.5,329 0.55,330 72,331 365,332 4.716,333 3.533,334 6.952,335 4.238,336 3.3,337 4.66,338 1.907,339 11.817,340 3.099,341 4.256,342 3.331,343 6.189,344 3.874,345 2.888,346 3.896,347 0.4,348 9.254,349 2.847,350 4.103,351 2.896,352 5.83,353 3.611,354 2.689,355 3.755,356 0.149,357 8.112,358 2.486,359 3.941,360 2.788,361 5.556,362 3.511,363 2.563,364 3.497,366 7.497,367 2.428,368 3.78,369 2.652,370 5.395,371 3.407,372 2.437,373 3.206,375 7.078,376 2.346,377 3.558,378 2.388,379 5.283,380 3.121,381 2.162,382 2.918,384 6.565,385 2.074,386 3.371,387 2.175,388 4.934,389 2.936,390 1.933,391 2.616,393 5.512,394 1.926,395 3.232,396 2.081,397 4.618,398 2.797,399 1.879,400 2.481,402 4.963,403 1.723,404 3.197,405 1.92,406 4.558,407 2.746,408 1.81,409 2.436,411 4.72,412 1.684,413 2.927,414 1.49,415 4.488,416 2.391,417 1.448,418 2.126,420 4.288,421 1.376,422 2.851,423 1.447,424 4.19,425 2.37,426 1.386,427 1.994,428 3.711,429 1.347,430 2.604,431 1.203,432 3.574,433 2.113,434 1.147,435 1.652,436 2.563,437 1.109,438 2.552,439 1.098,440 3.478,441 2.051,442 1.085,443 1.574,445 2.512,446 1.043,447 2.118,448 0.618,449 3.376,450 1.604,451 0.618,452 0.927,454 1.553,455 0.609,456 2.031,457 0.604,458 3,459 1.508,460 0.555,461 0.812,463 1.372,464 0.527,465 15.333,466 0.465,467 0.886,468 0.027,469 50.25,470 1.523,471 27,472 0.818,473 23.25,474 0.705,475 23.977,476 0.727,477 33.867,478 0.639,479 40.387,480 1.224,481 10.017,482 0.304,483 5.941,484 0.18,485 0.113,487 0.385,493 0.931,494 1.359,495 0.716,496 0.982,497 0.796,498 0.828,499 0.581,500 1.097,501 0.664,502 0.98,503 0.463,504 0.863,505 1.347,506 0.926,507 1.093,508 0.829,509 1.332,510 0.897,511 0.691,512 1.114,513 0.837,514 1.092,515 0.517,516 1.01,517 1.083,518 1.108,519 0.986,520 1.002,521 1.054,522 0.977,523 0.809,524 0.973,525 0.836,526 0.931,527 0.645,528 0.894,529 1.149,530 1.105,531 1.134,532 1.051,533 0.915,534 1.072,535 0.933,536 1.087,537 1.032,538 1.094,539 0.954,540 1.085,541 7.5,542 0.233,543 2.667,544 2.764,545 1.494,546 1.407,547 0.997,548 0.531,549 0.487,550 0.271,551 14639,552 43245,553 2.131,554 37.7,556 7,557 2,559 5,560 6,564 1.76,565 2,566 3.423,567 2.401,569 1,573 85.814,574 1.619,575 3.968,576 4.914,577 5.473,578 5.511,579 5.511,580 2.89,581 4.415,582 5.012,583 3.615,584 1908.96,585 8.822,586 27752.8,588 1,591 303.58,592 1.393,593 4.979,594 0.203,595 0.008,596 0.05,597 0.054,598 0.028,599 0.025,600 0.017,601 0.01,602 0.011,603 0.007,604 0.413,606 0.88,607 0.828,608 172.515,609 -0.121,610 -0.168,611 0.032,612 -0.016,613 -0.166,614 0.03,615 0.29,616 0.021,617 0.173,618 -0.012,619 0.222,620 0.039,621 -0.271,622 0.151,623 -0.191,624 0.11,625 -0.304,626 -0.003,627 0.106,628 -0.065,629 0.048,630 -0.091,631 0.126,632 -0.046,633 -0.125,634 -0.052,635 -0.081,636 -0.039,637 -0.163,638 -0.05,639 0.086,640 0.047,641 0.108,642 0.048,643 0.105,644 0.073,645 -0.223,646 -0.07,647 -0.201,648 -0.094,649 -0.116,650 -0.13,651 -0.014,652 -0.117,653 -0.053,654 -0.099,655 -0.042,656 -0.088,657 1.795,658 4.459,659 0.788,660 34.808,661 1.014,662 1.137,663 4.153,664 17.246,665 0.685,666 3.638,667 3.989,668 4.263,669 4.615,670 4.844,671 5.05,672 5.263,673 5.481,674 5.609,675 5.756,676 6.776,677 0.671,678 440.52,679 3.638,680 5.198,681 6.057,682 6.957,683 7.838,684 8.748,685 9.641,686 10.557,687 11.459,688 12.379,689 18.9,693 1,696 1,697 3,699 5,702 1,703 1,704 9,705 5,706 1,709 9,711 27,722 1,724 1,731 53,733 28,734 1,735 37,737 57,738 22,739 19,740 2,741 4,746 5,747 6,752 2,761 20,762 2,766 1,771 1,775 1,778 1,781 20,782 9,783 5,784 11,787 1,790 10,794 0.8,795 1,803 1,805 1,811 2,812 3,815 1,826 1,840 4,844 2,848 33,849 1,855 2,870 1.9,873 1,877 16.5,878 10.2,879 7.056,880 2.924,881 4.321,882 1.522,883 1.043,884 5.403,885 12.596,886 3.961,887 4.63,888 5.247,889 5.936,890 6.487,891 6.956,892 7.517,893 8.073,894 8.507,895 8.989,896 1,897 51,898 12.079,900 5.161,901 7.798,902 22.668,904 18.35,905 2.298,906 75.833,909 1,910 176.567,911 131.594,912 170.673,914 25.145,917 131.594,918 201.711,919 170.673,920 17.65,921 18.011,922 117.326,923 115.37,924 49.744,925 32.854,926 153.024,928 176.567,929 302.268,930 25.145,933 181.222,934 25.145,937 75.236,938 138.571,939 83.805,941 176.567,942 195.818,943 131.594,946 176.567,947 29.515,948 103.365,949 52.685,950 141.847,951 176.567,952 195.818,953 131.594,955 0.585,956 0.326,957 0.191,958 0.102,959 27,960 12,961 0.088,962 5,963 1,964 1.077,965 4.308,966 324.366,967 0.077,968 26,969 166.465,974 20.915,975 8.524,976 4.359,977 0.682,978 177.869,979 16.915,980 21.78,981 2.772,984 5.3,986 85.582,987 503.979,988 51.5,993 11.459,997 -0.128,999 53.763,1000 60.268,1001 0.283,1002 0.693,1003 0.858,1004 0.955,1005 0.962,1006 0.962,1007 5.197,1008 1.879,1009 6.052,1010 5.512,1011 4.673,1012 5.318,1013 1.997,1014 6.878,1015 4.578,1016 6.433,1017 1.81,1018 7.611,1019 4.963,1020 4.29,1021 5.165,1022 1.593,1023 7.769,1024 4.148,1025 7.753,1026 1.448,1027 9.267,1028 4.72,1029 6.275,1030 7.58,1031 2.907,1032 10.906,1033 6.079,1034 9.108,1035 1.386,1036 10.98,1037 4.288,1038 6.686,1039 8.247,1040 3.032,1041 12.673,1042 6.438,1043 10.492,1044 1.147,1045 12.733,1046 3.711,1047 8.158,1048 10.133,1049 4.038,1050 15.34,1051 7.86,1052 11.899,1053 1.085,1054 14.516,1055 2.563,1056 8.955,1057 11.217,1058 4.409,1059 17.507,1060 8.6,1061 13.325,1062 0.618,1063 16.322,1064 2.512,1065 10.223,1066 12.879,1067 5.25,1068 20.021,1069 9.818,1070 3.3,1071 0.555,1072 18.148,1073 1.553,1074 11.211,1075 14.182,1076 5.75,1077 22.363,1078 10.745,1079 2.888,1080 11.817,1081 19.989,1082 1.372,1083 12.403,1084 15.751,1085 6.501,1086 24.833,1087 11.883,1088 2.689,1089 9.254,1090 21.845,1091 4.66,1092 13.485,1093 17.166,1094 7.068,1095 27.248,1096 12.902,1097 2.563,1098 8.112,1099 23.713,1100 3.896,1101 14.654,1102 18.701,1103 7.771,1104 29.709,1105 14.014,1106 2.437,1107 7.497,1108 25.591,1109 3.755,1110 15.783,1111 20.173,1112 8.374,1113 32.153,1114 15.078,1115 2.162,1116 7.078,1117 27.477,1118 3.497,1119 16.948,1120 21.698,1121 9.051,1122 34.615,1123 16.183,1124 1.933,1125 6.565,1126 29.371,1127 3.206,1128 18.102,1129 23.199,1130 9.674,1131 37.073,1132 17.271,1133 13809,1134 23908,1135 24.967,1136 36.318,1137 56.719,1138 56.585,1139 56.918,1140 55.854,1141 55.801,1142 77.099,1143 4.912,1144 163.032,1145 53.249,1146 5.512,1147 5.533,1148 6.566,1149 5.338,1150 5.3,1151 7.66,1152 3.306,1153 19.033,1154 5.099,1155 15.637,1156 1.533,1157 1.529,1158 1.538,1159 1.51,1160 1.508,1161 2.084,1162 0.133,1163 4.406,1164 1.439,1165 4.164,1166 4.21,1167 4.143,1168 4.026,1169 7.43,1170 4.047,1171 3.91,1172 3.956,1173 3.862,1174 3.803,1175 5.268,1176 3.815,1177 3.857,1178 3.921,1179 3.806,1180 3.65,1181 5.078,1182 3.679,1183 3.774,1184 3.84,1185 3.739,1186 3.562,1187 4.972,1188 3.599,1189 3.524,1190 3.569,1191 3.438,1192 3.303,1193 4.745,1194 3.327,1195 3.337,1196 3.388,1197 3.262,1198 3.206,1199 4.676,1200 3.214,1201 3.166,1202 3.274,1203 2.991,1204 2.922,1205 4.271,1206 2.925,1207 2.969,1208 3.042,1209 2.876,1210 2.831,1211 4.012,1212 2.832,1213 0.127,1214 0.095,1215 0.188,1216 0.115,1217 0.089,1218 4.716,1219 0.126,1220 3.533,1221 0.052,1222 6.952,1223 0.319,1224 4.238,1225 0.084,1226 3.3,1227 4.66,1228 1.907,1229 11.817,1230 3.099,1231 1.998,1232 1.97,1233 2.077,1234 2.112,1235 1.206,1236 2.099,1237 1.801,1238 1.759,1239 1.891,1240 1.978,1241 0.983,1242 1.952,1243 1.702,1244 1.651,1245 1.807,1246 1.897,1247 0.809,1248 1.876,1249 1.523,1250 1.471,1251 1.699,1252 1.73,1253 0.717,1254 1.702,1255 1.441,1256 1.389,1257 1.666,1258 1.686,1259 0.712,1260 1.686,1261 1.371,1262 1.3,1263 1.538,1264 1.684,1265 0.582,1266 1.65,1267 1.193,1268 1.105,1269 1.422,1270 1.449,1271 0.298,1272 1.469,1273 1.097,1274 1.008,1275 1.275,1276 1.389,1277 0.25,1278 1.367,1279 4.317,1281 5.659,1282 3.045,1283 7.179,1284 5.352,1285 8.787,1286 7.424,1287 10.449,1289 3.233,1293 5.909,1296 6.018,1305 35.563,1306 85.814,1307 210.28,1308 260.419,1309 290.07,1310 292.07,1311 292.07,1312 44.322,1313 8.275,1314 151.8,1315 151.8,1316 28,1317 12.891,1318 4.858,1319 3.954,1320 47.474,1321 130,1322 148,1323 0.175,1324 218.718,1325 357.33,1326 525.432,1327 43931,1329 22.949,1330 0.695,1331 0.541,1332 22.949,1333 17.865,1334 15.958,1335 0.431,1336 0.273,1337 9.943,1338 15.225,1339 9.698,1340 8.077,1341 15.958,1342 10.116,1343 15.056,1344 0.284,1345 0.139,1346 15.056,1347 7.366,1348 11.898,1349 0.17,1350 0.069,1351 11.898,1352 4.858,1353 11.017,1354 0.11,1355 0.036,1356 11.017,1357 3.556,1358 8.407,1359 0.067,1360 0.018,1361 8.407,1362 2.265,1363 0.269,1364 100.552,1365 0.2,1366 30.194,1367 0.498,1368 180,1369 543.917,1370 201.864,1371 536.123,1372 751.3,1373 502,1374 213,1375 584.299,1376 234.035,1377 588.88,1378 860.37,1379 555,1380 7.018}
{0 CHEMBL2172488,1 1.554,2 8.759,3 1.865,4 3.477,5 105.599,6 8.423,7 0.788,8 3.995,9 4.138,10 3.672,11 3.447,12 5.209,13 3.488,14 4.468,15 4.657,16 4.057,17 3.829,18 5.677,19 3.857,20 4.572,21 4.768,22 4.004,23 3.908,24 5.689,25 3.903,26 4.646,27 4.848,28 4.061,29 3.957,30 5.785,31 3.942,32 4.701,33 4.914,34 4.086,35 3.969,36 5.813,37 3.962,38 4.749,39 4.978,40 4.137,41 4.001,42 5.876,43 3.994,44 4.728,45 4.944,46 4.04,47 3.982,48 5.87,49 3.956,50 4.683,51 4.922,52 3.876,53 3.857,54 5.794,55 3.807,56 0.133,57 0.852,58 7.66,59 2.81,60 10.498,61 3.705,62 0.393,63 1.276,64 14.756,65 4.814,66 25.807,67 6.562,68 0.389,69 1.35,70 16.59,71 5.313,72 24.884,73 7.217,74 0.409,75 1.425,76 18.323,77 6.326,78 28.234,79 8.75,80 0.455,81 1.476,82 20.06,83 6.033,84 32.638,85 8.541,86 0.525,87 1.52,88 22.574,89 6.769,90 34.968,91 9.781,92 0.496,93 1.482,94 20.598,95 6.323,96 35.641,97 8.831,98 0.454,99 1.32,100 21.439,101 6.524,102 39.255,103 9.539,104 10,105 48,106 0.26,107 0.686,108 0.858,109 0.882,110 0.882,111 0.882,112 3.409,113 0.802,114 -5.03,115 -4.93,116 -4.62,119 39.1,120 1,124 1,142 3,143 1,145 1,147 2,149 2,150 1,151 2,152 2,160 1,161 1,163 1,164 1,165 1,168 1,172 2,174 5,175 7,177 2,178 4,180 2,183 1,186 2,187 4,190 1,191 1,198 4,199 5,201 1,202 3,204 2,209 1,211 3,212 7,214 1,215 2,217 2,223 4,224 6,226 1,227 3,228 1,229 1,231 1,232 1,236 3,237 4,240 3,242 3,245 4,247 2,249 3,250 3,252 1,253 2,255 4,258 2,260 2,262 2,263 2,265 1,266 2,267 1,268 1,270 1,275 1432,276 19.756,277 19.756,278 19.756,279 19.756,280 19.756,281 16.656,282 18.237,283 11.518,284 20.433,285 16.347,286 16.347,287 16.347,288 16.347,289 16.347,290 11.708,291 25.888,292 5.528,293 17.473,294 3.97,295 1.424,296 0.397,297 0.25,298 0.25,299 0.25,300 4.117,303 1,304 1,305 1,306 563,307 2.55,310 205.974,311 151.442,314 110.07,318 1.439,319 21.62,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 63.5,331 254,332 4.718,333 3.334,334 6.953,335 4.241,336 3.303,337 4.662,338 0.4,339 11.822,340 3.099,341 4.343,342 3.018,343 6.453,344 3.935,345 2.981,346 4,348 9.958,349 2.846,350 4.113,351 2.795,352 5.856,353 3.608,354 2.692,355 3.781,357 8.165,358 2.466,359 3.939,360 2.664,361 5.559,362 3.492,363 2.553,364 3.497,366 7.498,367 2.395,368 3.645,369 2.293,370 5.291,371 3.182,372 2.234,373 3.102,375 6.62,376 2.112,377 3.388,378 2.088,379 5.058,380 2.917,381 1.977,382 2.747,384 5.832,385 1.854,386 3.232,387 2.018,388 4.906,389 2.796,390 1.879,391 2.481,393 5.317,394 1.721,395 3.15,396 1.863,397 4.618,398 2.705,399 1.775,400 2.384,402 4.963,403 1.645,404 2.925,405 1.455,406 4.53,407 2.381,408 1.444,409 2.125,411 4.261,412 1.35,413 2.571,414 1.226,415 3.816,416 2.082,417 1.151,418 1.6,420 2.739,421 1.069,422 2.562,423 1.193,424 3.573,425 2.055,426 1.132,427 1.587,428 2.542,429 1.043,430 2.369,431 0.898,432 3.403,433 1.837,434 0.895,435 1.308,436 2.197,437 0.841,438 2.118,439 0.618,440 3.371,441 1.604,442 0.618,443 0.927,445 1.508,446 0.609,447 2.01,448 0.54,449 3,450 1.481,451 0.533,452 0.78,454 1.372,455 0.504,456 1.232,457 0.045,458 2.858,459 0.85,460 -0.074,461 -0.094,463 -0.214,464 -0.069,465 13.4,466 0.462,467 0.763,468 0.026,469 44.75,470 1.543,471 23,472 0.793,473 21.75,474 0.75,475 19.911,476 0.687,477 29.8,478 0.648,479 33.72,480 1.163,481 8.879,482 0.306,483 5.201,484 0.179,485 0.104,487 0.396,493 1.065,494 1.567,495 0.696,496 1.083,497 1.076,498 0.858,499 0.828,500 0.983,501 0.673,502 0.795,503 0.533,504 0.717,505 1.155,506 1.071,507 1.016,508 0.967,509 1.125,510 0.962,511 0.85,512 1.099,513 0.919,514 1.092,515 0.699,516 1.033,517 1.106,518 1.141,519 0.978,520 1.013,521 1.199,522 0.976,523 0.902,524 0.957,525 0.805,526 0.852,527 0.662,528 0.816,529 1.126,530 1.053,531 1.127,532 1.074,533 1.207,534 1.096,535 0.979,536 1.125,537 1.083,538 1.18,539 0.998,540 1.159,541 6,542 0.097,543 2.889,544 2.639,545 1.242,546 1.191,547 0.831,548 0.521,549 0.339,550 0.267,551 10184,552 29091,553 2.171,554 37,556 6,557 2,558 2,559 4,560 3,564 1.729,565 2.047,566 3.134,567 1.766,568 1,569 1,573 71.485,574 1.554,575 4.099,576 5.127,577 5.273,578 5.273,579 5.273,580 2.54,581 4.513,582 4.828,583 3.334,584 1353.53,585 8.463,586 17839.5,588 1,590 1,591 254.084,592 1.361,593 4.797,594 0.182,595 0.005,596 0.06,597 0.059,598 0.026,599 0.025,600 0.016,601 0.012,602 0.009,603 0.01,604 0.404,606 0.88,607 0.506,608 143.784,609 -0.151,610 -0.364,611 0.05,612 -0.118,613 -0.231,614 -0.013,615 0.189,616 0.14,617 0.18,618 0.146,619 0.297,620 0.158,621 -0.185,622 0.024,623 -0.153,624 -0.006,625 -0.268,626 -0.061,627 0.072,628 -0.037,629 -0.033,630 -0.103,631 0.141,632 -0.092,633 -0.105,634 -0.093,635 -0.065,636 -0.06,637 -0.233,638 -0.055,639 0.091,640 0.05,641 0.152,642 0.118,643 0.252,644 0.143,645 -0.13,646 -0.01,647 -0.211,648 -0.12,649 -0.181,650 -0.172,651 -0.016,652 -0.162,653 -0.099,654 -0.197,655 0.038,656 -0.171,657 1.518,658 1.881,659 0.862,660 26.185,661 1.017,662 1.146,663 3.798,664 14.428,665 0.681,666 3.526,667 3.892,668 4.205,669 4.554,670 4.736,671 4.963,672 5.187,673 5.412,674 5.521,675 5.642,676 5.831,677 0.67,678 387.46,679 3.526,680 5.094,681 5.969,682 6.876,683 7.769,684 8.686,685 9.589,686 10.51,687 11.42,688 12.344,689 23.9,693 1,697 4,699 6,702 1,703 1,704 7,705 6,706 1,709 8,710 1,711 26,722 1,724 1,731 46,733 26,735 33,737 50,738 18,739 16,746 5,747 6,752 1,761 16,762 2,777 1,778 1,781 17,782 8,783 4,784 11,787 2,790 11,794 0.8,803 1,805 1,811 3,812 2,815 1,840 4,844 2,848 29,849 1,855 1,877 14.167,878 9.017,879 6.167,880 2.485,881 4.046,882 1.509,883 1.06,884 4.176,885 11.999,886 3.85,887 4.546,888 5.205,889 5.891,890 6.378,891 6.888,892 7.458,893 8.019,894 8.432,895 8.881,896 0.833,897 45,898 10.589,900 4.533,901 7.707,902 19.979,904 16.25,905 2.207,906 64,910 153.024,911 103.036,912 171.347,917 103.036,918 153.024,919 171.347,920 17.222,922 79.421,923 134.467,924 54.748,925 35.611,926 105.94,928 153.024,929 274.384,933 157.68,937 67.965,938 101.172,939 100.591,941 153.024,942 171.347,943 103.036,946 153.024,947 21.625,948 84.597,949 34.674,950 133.488,951 153.024,952 171.347,953 103.036,955 0.59,956 0.345,957 0.199,958 0.098,959 26,960 11,961 0.08,962 4,963 1,964 1.08,965 3.991,966 278.027,967 0.08,968 25,969 140.881,974 17.643,975 6.865,976 3.193,977 0.723,978 151.499,979 12.999,980 25.94,981 2.777,984 4.879,985 1.95,986 67.571,987 427.408,988 46,999 46.771,1000 52.727,1001 0.281,1002 0.742,1003 0.928,1004 0.955,1005 0.955,1006 0.955,1007 5.091,1008 1.775,1009 5.969,1010 5.317,1011 4.575,1012 5.234,1013 0.278,1014 6.819,1015 4.445,1016 6.335,1017 1.444,1018 7.545,1019 4.963,1020 4.205,1021 5.094,1023 7.761,1024 4.011,1025 7.663,1026 1.151,1027 9.219,1028 4.261,1029 6.201,1030 7.529,1031 0.05,1032 10.912,1033 5.946,1034 9.031,1035 1.132,1036 10.953,1037 2.739,1038 6.661,1039 8.247,1041 12.727,1042 6.346,1043 10.429,1044 0.895,1045 12.727,1046 2.542,1047 8.124,1048 10.116,1049 0.008,1050 15.397,1051 7.75,1052 11.852,1053 0.618,1054 14.529,1055 2.197,1056 8.965,1057 11.246,1059 17.585,1060 8.532,1061 13.293,1062 0.533,1063 16.353,1064 1.508,1065 10.229,1066 12.89,1067 0.001,1068 20.1,1069 9.737,1070 3.303,1071 -0.074,1072 18.195,1073 1.372,1074 11.247,1075 14.222,1077 22.446,1078 10.695,1079 2.981,1080 11.822,1081 20.052,1082 -0.214,1083 12.439,1084 15.779,1086 24.913,1087 11.828,1088 2.692,1089 9.958,1090 21.92,1091 4.662,1092 13.538,1093 17.208,1095 27.323,1096 12.867,1097 2.553,1098 8.165,1099 23.798,1100 4,1101 14.709,1102 18.736,1104 29.78,1105 13.977,1106 2.234,1107 7.498,1108 25.684,1109 3.781,1110 15.846,1111 20.213,1113 32.218,1114 15.053,1115 1.977,1116 6.62,1117 27.576,1118 3.497,1119 17.014,1120 21.734,1122 34.675,1123 16.159,1124 1.879,1125 5.832,1126 29.475,1127 3.102,1128 18.171,1129 23.237,1131 37.126,1132 17.254,1133 9474,1134 16192,1135 22.482,1136 31.347,1137 51.137,1138 50.069,1139 51.322,1140 50.411,1141 50.331,1142 69.961,1143 0.8,1144 149.589,1145 47.109,1146 5.514,1147 5.334,1148 6.567,1149 5.341,1150 5.303,1151 7.662,1152 0.8,1153 19.044,1154 5.053,1155 12.05,1156 1.55,1157 1.517,1158 1.555,1159 1.528,1160 1.525,1161 2.12,1162 0.024,1163 4.533,1164 1.428,1165 4.167,1166 4.216,1167 4.146,1168 4.01,1169 5.269,1170 4.038,1171 3.913,1172 3.978,1173 3.873,1174 3.714,1175 5.085,1176 3.748,1177 3.853,1178 3.925,1179 3.804,1180 3.636,1181 4.992,1182 3.668,1183 3.765,1184 3.835,1185 3.729,1186 3.541,1187 4.898,1188 3.579,1189 3.327,1190 3.384,1191 3.256,1192 3.185,1193 4.682,1194 3.196,1195 3.165,1196 3.274,1197 2.99,1198 2.914,1199 4.264,1200 2.92,1201 3.032,1202 3.142,1203 2.856,1204 2.815,1205 4.009,1206 2.804,1207 2.939,1208 3.029,1209 2.784,1210 2.731,1211 3.867,1212 2.732,1213 0.143,1214 0.101,1215 0.211,1216 0.129,1217 0.1,1218 4.718,1219 0.141,1220 3.334,1221 0.012,1222 6.953,1223 0.358,1224 4.241,1225 0.094,1226 3.303,1227 4.662,1228 0.4,1229 11.822,1230 3.099,1231 1.939,1232 1.901,1233 2.008,1234 2.092,1235 1.149,1236 2.068,1237 1.727,1238 1.673,1239 1.819,1240 1.949,1241 0.847,1242 1.913,1243 1.528,1244 1.473,1245 1.727,1246 1.779,1247 0.787,1248 1.765,1249 1.511,1250 1.437,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.539,1258 1.686,1259 0.585,1260 1.65,1261 1.289,1262 1.226,1263 1.438,1264 1.502,1265 0.434,1266 1.487,1267 1.191,1268 1.103,1269 1.412,1270 1.449,1271 0.265,1272 1.464,1273 1.094,1274 0.998,1275 1.274,1276 1.389,1277 0.19,1278 1.367,1279 4.205,1281 5.557,1282 3.434,1283 7.086,1284 5.733,1285 8.704,1286 7.774,1287 10.374,1289 3.717,1293 5.881,1296 3.212,1305 30.816,1306 71.485,1307 188.558,1308 235.819,1309 242.574,1310 242.574,1311 242.574,1312 31.653,1313 7.953,1314 140.52,1315 140.52,1316 27,1317 12.853,1318 4.755,1319 3.807,1320 39.173,1321 96,1322 94,1323 0.192,1324 189.001,1325 295.62,1326 452.924,1327 28700,1329 19.957,1330 0.688,1331 0.541,1332 19.957,1333 15.697,1334 14.081,1335 0.427,1336 0.267,1337 8.634,1338 13.323,1339 8.428,1340 7.022,1341 14.081,1342 8.824,1343 13.206,1344 0.275,1345 0.135,1346 13.206,1347 6.494,1348 11.136,1349 0.169,1350 0.067,1351 11.136,1352 4.454,1353 10.211,1354 0.109,1355 0.034,1356 10.211,1357 3.192,1358 7.347,1359 0.065,1360 0.017,1361 7.347,1362 1.898,1363 0.29,1364 89.464,1365 0.211,1366 26.855,1367 0.566,1368 162,1369 485.139,1370 183.12,1371 478.688,1372 680.05,1373 450,1374 195,1375 539.339,1376 217.398,1377 544.064,1378 798.05,1379 511,1380 6.334}
{0 CHEMBL2172489,1 1.54,2 10.258,3 2.62,4 6.864,5 113.664,6 8.27,7 0.722,8 4.081,9 4.222,10 3.75,11 3.564,12 5.242,13 3.592,14 4.561,15 4.744,16 4.106,17 3.921,18 5.721,19 3.932,20 4.689,21 4.911,22 4.062,23 3.979,24 5.751,25 3.97,26 4.691,27 4.883,28 4.116,29 4.035,30 5.819,31 4.015,32 4.776,33 4.998,34 4.122,35 4.041,36 5.841,37 4.022,38 4.765,39 4.976,40 4.198,41 4.076,42 5.894,43 4.068,44 4.821,45 5.032,46 4.107,47 4.081,48 5.93,49 4.048,50 4.812,51 5.065,52 3.958,53 4.001,54 5.841,55 3.931,56 0.138,57 0.928,58 8.718,59 3.373,60 10.682,61 4.422,62 0.34,63 1.39,64 16.289,65 5.695,66 26.957,67 7.834,68 0.466,69 1.462,70 21.088,71 5.969,72 30.169,73 8.487,74 0.353,75 1.523,76 18.988,77 6.844,78 29.106,79 9.405,80 0.486,81 1.574,82 22.929,83 6.886,84 33.065,85 9.837,86 0.438,87 1.611,88 22.069,89 7.171,90 32.59,91 10.159,92 0.456,93 1.644,94 22.754,95 7.032,96 37.362,97 9.873,98 0.543,99 1.488,100 26.206,101 8.255,102 43.178,103 12.04,104 5,105 53,106 0.253,107 0.674,108 0.841,109 0.872,110 0.872,111 0.872,112 3.473,113 0.83,114 -5.49,115 -5.37,116 -5.01,119 40,120 1,121 2,127 1,142 3,143 2,145 1,147 2,149 2,150 1,151 3,152 1,161 1,163 1,164 1,165 1,166 1,168 1,172 4,174 4,175 10,177 2,178 4,180 2,183 2,186 2,187 7,190 1,191 1,195 1,198 3,199 5,201 1,202 3,204 2,207 2,209 1,211 4,212 9,214 1,215 2,217 2,220 2,223 3,224 8,226 1,227 3,228 1,229 2,231 1,232 3,236 2,237 6,240 2,242 3,245 6,247 2,249 5,250 5,252 1,253 3,255 5,258 4,260 3,263 2,266 1,267 1,268 2,270 1,275 1721,276 21.359,277 21.359,278 21.359,279 21.359,280 21.359,281 18.363,282 21.399,283 12.369,284 21.956,285 17.851,286 17.851,287 17.851,288 17.851,289 17.851,290 13.266,291 28.388,292 5.966,293 18.876,294 4.104,295 1.543,296 0.525,297 0.335,298 0.335,299 0.335,300 4.185,304 1,306 726,307 2.646,308 54.811,310 225.878,311 166.411,314 121.504,318 1.621,319 22.981,322 0.5,323 0.67,324 0.83,325 0.5,327 0.67,328 0.5,329 0.52,330 67.5,331 318,332 4.716,333 3.332,334 6.952,335 4.239,336 3.301,337 4.661,338 0.4,339 11.817,340 3.1,341 4.324,342 3.11,343 6.316,344 3.987,345 3.022,346 3.949,348 9.657,349 2.914,350 4.126,351 2.819,352 6.056,353 3.715,354 2.754,355 3.779,357 8.774,358 2.667,359 3.961,360 2.757,361 5.811,362 3.584,363 2.649,364 3.501,366 8.038,367 2.456,368 3.858,369 2.601,370 5.552,371 3.467,372 2.521,373 3.239,375 7.46,376 2.378,377 3.56,378 2.223,379 5.286,380 3.128,381 2.176,382 2.917,384 6.583,385 2.068,386 3.267,387 2.083,388 4.938,389 2.845,390 1.896,391 2.521,393 5.556,394 1.801,395 3.232,396 1.948,397 4.704,398 2.796,399 1.879,400 2.481,402 5.059,403 1.721,404 3.095,405 1.796,406 4.618,407 2.699,408 1.753,409 2.265,411 4.963,412 1.648,413 2.925,414 1.456,415 4.53,416 2.381,417 1.444,418 2.124,420 4.273,421 1.35,422 2.584,423 1.23,424 4.106,425 2.145,426 1.179,427 1.616,428 3.281,429 1.138,430 2.521,431 1.14,432 3.574,433 2.05,434 1.1,435 1.529,436 2.543,437 1.041,438 2.178,439 0.701,440 3.377,441 1.631,442 0.696,443 1.025,445 1.698,446 0.649,447 2.118,448 0.618,449 3.274,450 1.604,451 0.618,452 0.927,454 1.514,455 0.609,456 2.015,457 0.546,458 3,459 1.49,460 0.539,461 0.789,463 1.372,464 0.511,465 14.4,466 0.465,467 0.794,468 0.026,469 45.75,470 1.476,471 23,472 0.742,473 22.75,474 0.734,475 22.977,476 0.741,477 31.8,478 0.636,479 34.127,480 1.101,481 8.73,482 0.282,483 6.406,484 0.207,485 0.063,487 0.403,493 0.961,494 1.394,495 0.696,496 1.02,497 0.992,498 0.843,499 0.782,500 1.193,501 0.744,502 1.031,503 0.498,504 0.907,505 1.264,506 0.904,507 0.956,508 0.738,509 1.139,510 0.777,511 0.867,512 1.183,513 0.939,514 1.15,515 0.751,516 1.075,517 1.086,518 1.007,519 0.959,520 0.917,521 1.142,522 0.913,523 0.882,524 1.05,525 0.789,526 0.913,527 0.655,528 0.847,529 1.23,530 1.192,531 1.189,532 1.167,533 1.231,534 1.169,535 0.829,536 0.816,537 0.992,538 0.967,539 0.904,540 1.004,541 6.5,542 0.106,543 2.722,544 2.458,545 1.322,546 1.275,547 0.789,548 0.424,549 0.441,550 0.218,551 13412,552 34685,553 2.238,554 38,556 4,557 3,558 1,559 4,560 3,561 4,564 1.744,565 2.138,566 3.317,567 1.696,568 1,569 1,573 76.99,574 1.54,575 4.101,576 5.119,577 5.309,578 5.309,579 5.309,580 2.777,581 4.478,582 4.922,583 3.514,584 1633.79,585 8.643,586 22574.7,588 1,590 1,591 282.193,592 1.26,593 4.905,594 0.181,595 0.005,596 0.054,597 0.051,598 0.026,599 0.025,600 0.014,601 0.009,602 0.011,603 0.007,604 0.383,606 0.75,607 0.415,608 158.236,609 -0.05,610 -0.19,611 0.061,612 -0.046,613 -0.129,614 0.016,615 0.207,616 -0.076,617 0.111,618 -0.074,619 0.34,620 -0.014,621 -0.199,622 0.149,623 -0.022,624 0.201,625 -0.21,626 0.138,627 0.049,628 -0.1,629 -0.071,630 -0.162,631 0.108,632 -0.144,633 -0.055,634 0.029,635 -0.019,636 0.035,637 -0.158,638 0.019,639 0.093,641 0.128,642 0.061,643 0.265,644 0.094,645 -0.211,646 -0.134,647 -0.279,648 -0.22,649 -0.21,650 -0.255,651 0.118,652 0.125,653 0.02,654 0.034,655 0.083,656 0.012,657 1.509,658 1.913,659 0.903,660 30.597,661 1.013,662 1.143,663 4.258,664 18.133,665 0.682,666 3.611,667 3.989,668 4.277,669 4.625,670 4.828,671 5.069,672 5.268,673 5.481,674 5.635,675 5.79,676 6.37,677 0.667,678 413.5,679 3.611,680 5.187,681 6.071,682 6.982,683 7.881,684 8.799,685 9.707,686 10.629,687 11.541,688 12.466,689 22,693 1,697 4,699 6,702 1,703 1,704 7,705 6,706 1,709 8,710 1,711 26,722 1,724 1,731 50,733 26,735 36,737 55,738 20,739 16,746 6,747 7,752 1,755 3,758 3,761 16,762 4,778 1,781 19,782 8,783 4,784 11,787 1,790 11,794 0.833,803 2,805 1,809 1,811 3,812 2,815 1,840 5,844 1,848 31,849 1,854 2,855 1,858 1,877 14.5,878 9.35,879 6.5,880 2.941,881 4.056,882 1.49,883 1.075,884 4.178,885 12.328,886 3.912,887 4.598,888 5.24,889 5.926,890 6.428,891 6.946,892 7.492,893 8.051,894 8.5,895 8.969,896 0.857,897 48,898 11.372,900 4.986,901 7.64,902 21.77,904 18.444,905 2.14,906 66.333,909 1,910 176.567,911 100.567,912 171.102,917 100.567,918 176.567,919 171.102,920 8.825,921 5.069,922 88.468,923 113.955,924 57.811,925 44.625,926 129.482,928 176.567,929 271.669,933 134.138,934 47.084,937 64.293,938 102.252,939 100.468,941 176.567,942 171.102,943 100.567,946 176.567,947 27.123,948 76.507,949 34.674,950 133.365,951 176.567,952 171.102,953 100.567,955 0.593,956 0.332,957 0.191,958 0.096,959 30,960 12,961 0.091,962 5,963 1,964 1.071,965 4.296,966 307.849,967 0.071,968 28,969 151.58,974 18.337,975 7.064,976 3.509,977 0.739,978 151.376,979 13.535,980 26.385,981 2.791,984 5.06,985 2.037,986 67.571,987 448.235,988 49,999 50.654,1000 57.142,1001 0.273,1002 0.727,1003 0.907,1004 0.941,1005 0.941,1006 0.941,1007 5.168,1008 1.879,1009 6.071,1010 5.556,1011 4.673,1012 5.286,1013 0.278,1014 6.923,1015 4.564,1016 6.411,1017 1.753,1018 7.649,1019 5.059,1020 4.369,1021 5.165,1023 7.89,1024 4.215,1025 7.741,1026 1.444,1027 9.324,1028 4.963,1029 6.319,1030 7.564,1031 0.05,1032 11.001,1033 6.103,1034 9.106,1035 1.179,1036 11.056,1037 4.273,1038 6.804,1039 8.275,1041 12.801,1042 6.544,1043 10.501,1044 1.1,1045 12.825,1046 3.281,1047 8.248,1048 10.133,1049 0.008,1050 15.451,1051 7.929,1052 11.918,1053 0.696,1054 14.62,1055 2.543,1056 9.091,1057 11.251,1059 17.618,1060 8.725,1061 13.353,1062 0.618,1063 16.436,1064 1.698,1065 10.346,1066 12.891,1067 0.001,1068 20.12,1069 9.922,1070 3.301,1071 0.539,1072 18.268,1073 1.514,1074 11.357,1075 14.214,1077 22.45,1078 10.881,1079 3.022,1080 11.817,1081 20.114,1082 1.372,1083 12.543,1084 15.769,1086 24.91,1087 12.009,1088 2.754,1089 9.657,1090 21.972,1091 4.661,1092 13.633,1093 17.194,1095 27.312,1096 13.044,1097 2.649,1098 8.774,1099 23.839,1100 3.949,1101 14.798,1102 18.721,1104 29.764,1105 14.149,1106 2.521,1107 8.038,1108 25.715,1109 3.779,1110 15.927,1111 20.196,1113 32.199,1114 15.219,1115 2.176,1116 7.46,1117 27.598,1118 3.501,1119 17.088,1120 21.717,1122 34.654,1123 16.321,1124 1.896,1125 6.583,1126 29.488,1127 3.239,1128 18.238,1129 23.219,1131 37.105,1132 17.409,1133 12065,1134 19613,1135 24.967,1136 34.108,1137 56.128,1138 54.819,1139 55.851,1140 55.106,1141 55.055,1142 74.645,1143 0.8,1144 165.179,1145 52.102,1146 5.579,1147 5.332,1148 6.566,1149 5.339,1150 5.301,1151 7.661,1152 0.8,1153 19.034,1154 5.061,1155 10.3,1156 1.559,1157 1.523,1158 1.551,1159 1.531,1160 1.529,1161 2.073,1162 0.022,1163 4.588,1164 1.447,1165 4.172,1166 4.221,1167 4.149,1168 4.02,1169 5.269,1170 4.046,1171 3.997,1172 4.059,1173 3.94,1174 3.826,1175 5.085,1176 3.844,1177 3.866,1178 3.938,1179 3.811,1180 3.664,1181 4.992,1182 3.689,1183 3.79,1184 3.856,1185 3.754,1186 3.595,1187 4.902,1188 3.624,1189 3.627,1190 3.684,1191 3.534,1192 3.474,1193 4.683,1194 3.491,1195 3.297,1196 3.358,1197 3.221,1198 3.15,1199 4.286,1200 3.16,1201 3.164,1202 3.273,1203 2.99,1204 2.909,1205 4.131,1206 2.917,1207 2.94,1208 3.029,1209 2.848,1210 2.743,1211 4.008,1212 2.756,1213 0.131,1214 0.093,1215 0.193,1216 0.118,1217 0.092,1218 4.716,1219 0.129,1220 3.332,1221 0.011,1222 6.952,1223 0.328,1224 4.239,1225 0.086,1226 3.301,1227 4.661,1228 0.4,1229 11.817,1230 3.1,1231 1.938,1232 1.903,1233 2.007,1234 2.085,1235 1.148,1236 2.061,1237 1.726,1238 1.673,1239 1.817,1240 1.943,1241 0.888,1242 1.908,1243 1.524,1244 1.472,1245 1.666,1246 1.733,1247 0.825,1248 1.702,1249 1.464,1250 1.406,1251 1.602,1252 1.728,1253 0.817,1254 1.689,1255 1.371,1256 1.3,1257 1.539,1258 1.686,1259 0.717,1260 1.65,1261 1.336,1262 1.273,1263 1.513,1264 1.51,1265 0.619,1266 1.505,1267 1.191,1268 1.103,1269 1.471,1270 1.448,1271 0.551,1272 1.464,1273 1.153,1274 1.064,1275 1.416,1276 1.389,1277 0.266,1278 1.429,1279 4.29,1280 1.946,1281 5.652,1282 4.263,1283 7.191,1284 6.304,1285 8.814,1286 8.244,1287 10.486,1289 1.781,1293 5.913,1295 2.377,1296 3.234,1299 0.53,1305 33.343,1306 76.99,1307 205.032,1308 255.928,1309 265.438,1310 265.438,1311 265.438,1312 34.785,1313 8.272,1314 140.52,1315 140.52,1316 30,1317 12.974,1318 4.755,1319 3.807,1320 39.236,1321 113,1322 128,1323 0.163,1324 200.793,1325 317.86,1326 481.694,1327 43231,1329 20.949,1330 0.676,1331 0.538,1332 20.949,1333 16.688,1334 15.136,1335 0.42,1336 0.277,1337 9.778,1338 14.39,1339 9.615,1340 7.931,1341 15.136,1342 9.959,1343 14.305,1344 0.27,1345 0.142,1346 14.305,1347 7.544,1348 11.783,1349 0.166,1350 0.069,1351 11.783,1352 4.909,1353 10.756,1354 0.106,1355 0.035,1356 10.756,1357 3.527,1358 7.927,1359 0.064,1360 0.017,1361 7.927,1362 2.169,1363 0.249,1364 95.668,1365 0.2,1366 28.67,1367 0.468,1368 178,1369 501.139,1370 199.731,1371 494.475,1372 708.53,1373 466,1374 216,1375 569.223,1376 239.147,1377 570.347,1378 840.8,1379 539,1380 6.842}
{0 CHEMBL2172490,1 1.663,2 9.414,3 2.508,4 6.292,5 103.781,6 8.632,7 0.788,8 3.982,9 4.113,10 3.676,11 3.443,12 5.223,13 3.487,14 4.443,15 4.612,16 4.063,17 3.809,18 5.684,19 3.845,20 4.555,21 4.748,22 3.993,23 3.847,24 5.707,25 3.863,26 4.592,27 4.774,28 4.043,29 3.884,30 5.765,31 3.892,32 4.616,33 4.811,34 4.079,35 3.908,36 5.772,37 3.925,38 4.678,39 4.874,40 4.145,41 3.968,42 5.874,43 3.976,44 4.734,45 4.952,46 4.029,47 3.954,48 5.89,49 3.934,50 4.652,51 4.884,52 3.869,53 3.834,54 5.761,55 3.79,56 0.192,57 0.815,58 7.096,59 2.926,60 12.346,61 3.542,62 0.355,63 1.224,64 13.359,65 5.107,66 24.323,67 6.549,68 0.48,69 1.277,70 16.152,71 4.93,72 30.728,73 6.159,74 0.521,75 1.313,76 16.944,77 5.987,78 31.158,79 7.513,80 0.483,81 1.382,82 17.114,83 5.351,84 31.821,85 6.924,86 0.508,87 1.454,88 18.509,89 6.314,90 32.328,91 8.425,92 0.64,93 1.439,94 20.931,95 6.209,96 42.107,97 8.481,98 0.489,99 1.255,100 20.831,101 6.95,102 38.979,103 9.626,104 10,105 48,106 0.279,107 0.695,108 0.82,109 0.879,110 0.879,111 0.879,112 3.409,113 0.798,114 -5.03,115 -4.93,116 -4.62,119 40,120 2,142 4,143 1,146 1,147 2,149 2,150 1,151 2,152 2,161 1,163 1,164 1,165 1,166 1,168 1,172 2,174 4,175 10,177 2,178 4,180 2,183 3,186 2,187 5,190 1,191 1,195 1,198 4,199 6,201 1,202 3,204 2,207 2,209 1,211 3,212 7,214 1,215 2,217 2,220 1,223 4,224 8,226 1,227 3,228 1,229 1,231 1,232 2,236 3,237 6,240 3,242 4,245 4,247 2,249 3,250 4,252 1,253 2,255 4,258 2,260 2,262 2,263 6,265 1,266 2,267 1,268 3,270 1,271 2,273 1,275 1449,276 19.704,277 19.704,278 19.704,279 19.704,280 19.704,281 16.631,282 17.5,283 11.496,284 20.261,285 16.363,286 16.363,287 16.363,288 16.363,289 16.363,290 11.73,291 24.859,292 5.559,293 17.292,294 3.828,295 1.356,296 0.611,297 0.256,298 0.256,299 0.256,300 4.117,303 1,304 1,305 1,306 606,307 2.55,310 207.149,311 152.905,314 111.343,318 1.503,319 24.644,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 64,331 273,332 4.716,333 3.332,334 6.952,335 4.238,336 3.3,337 4.66,338 0.4,339 11.817,340 3.099,341 4.266,342 2.931,343 6.191,344 3.879,345 2.893,346 3.917,348 9.247,349 2.851,350 4.103,351 2.792,352 5.828,353 3.605,354 2.685,355 3.764,357 8.099,358 2.469,359 3.937,360 2.663,361 5.554,362 3.492,363 2.55,364 3.497,366 7.478,367 2.4,368 3.676,369 2.384,370 5.287,371 3.235,372 2.272,373 3.14,375 6.608,376 2.185,377 3.466,378 2.158,379 5.052,380 3.031,381 2.078,382 2.83,384 6.05,385 1.977,386 3.232,387 2.08,388 4.922,389 2.797,390 1.879,391 2.481,393 5.449,394 1.722,395 3.192,396 1.913,397 4.618,398 2.744,399 1.817,400 2.438,402 4.963,403 1.679,404 2.926,405 1.458,406 4.536,407 2.382,408 1.445,409 2.125,411 4.291,412 1.351,413 2.699,414 1.341,415 4.126,416 2.244,417 1.262,418 1.781,420 3.448,421 1.238,422 2.557,423 1.182,424 3.574,425 2.06,426 1.121,427 1.581,428 2.544,429 1.05,430 2.19,431 0.715,432 3.376,433 1.693,434 0.704,435 1.041,436 1.706,437 0.695,438 2.118,439 0.618,440 3.269,441 1.604,442 0.618,443 0.927,445 1.514,446 0.609,447 2.016,448 0.546,449 3,450 1.492,451 0.539,452 0.79,454 1.372,455 0.513,456 1.228,457 0.048,458 2.862,459 0.851,460 -0.076,461 -0.096,463 -0.221,464 -0.07,465 13.333,466 0.46,467 0.78,468 0.027,469 44.25,470 1.526,471 23,472 0.793,473 21.25,474 0.733,475 20.289,476 0.7,477 29.867,478 0.664,479 33.099,480 1.141,481 8.806,482 0.304,483 5.258,484 0.181,485 0.105,487 0.405,493 0.91,494 1.388,495 0.673,496 1.011,497 1.027,498 0.822,499 0.72,500 1.128,501 0.597,502 0.979,503 0.486,504 0.802,505 1.29,506 0.981,507 1.055,508 0.867,509 1.252,510 0.889,511 1.1,512 1.09,513 0.937,514 1.02,515 0.826,516 0.98,517 1.115,518 1.105,519 0.958,520 0.931,521 1.211,522 0.902,523 0.813,524 1.089,525 0.834,526 1.009,527 0.677,528 0.936,529 1.007,530 0.995,531 1.129,532 0.977,533 1.102,534 1.046,535 0.867,536 1.033,537 0.99,538 1.147,539 0.917,540 1.11,541 6.5,542 0.145,543 2.667,544 2.486,545 1.322,546 1.244,547 0.8,548 0.455,549 0.445,550 0.183,551 10292,552 30507,553 2.171,554 35.6,556 4,557 2,559 4,560 6,564 1.728,565 2.047,566 3.202,567 1.766,568 1,569 1,573 74.855,574 1.663,575 4.136,576 4.881,577 5.236,578 5.236,579 5.236,580 2.664,581 4.513,582 4.827,583 3.376,584 1370.55,585 8.459,586 18025.5,588 1,590 1,591 247.133,592 1.361,593 4.797,594 0.197,595 0.009,596 0.056,597 0.057,598 0.029,599 0.026,600 0.016,601 0.01,602 0.012,603 0.007,604 0.417,606 0.88,607 0.506,608 144.074,609 -0.033,610 -0.201,611 0.048,612 -0.043,613 -0.196,614 0.014,615 0.19,616 -0.02,617 0.231,618 -0.011,619 0.328,620 0.09,621 -0.267,622 0.099,623 -0.177,624 0.056,625 -0.34,626 -0.015,627 -0.018,628 -0.051,629 -0.044,630 -0.04,631 0.077,632 -0.061,633 -0.16,634 -0.025,635 -0.082,636 -0.003,637 -0.26,638 -0.018,639 0.091,640 -0.033,641 0.058,642 -0.048,643 0.201,644 -0.011,645 -0.062,646 0.026,647 -0.187,648 -0.036,649 -0.121,650 -0.113,651 0.04,652 -0.097,653 0.017,654 -0.131,655 0.073,656 -0.077,657 1.532,658 1.9,659 0.862,660 26.792,661 1.022,662 1.143,663 3.798,664 14.428,665 0.684,666 3.526,667 3.892,668 4.19,669 4.543,670 4.745,671 4.963,672 5.17,673 5.403,674 5.529,675 5.631,676 5.91,677 0.678,678 388.44,679 3.526,680 5.094,681 5.964,682 6.87,683 7.76,684 8.675,685 9.576,686 10.495,687 11.403,688 12.326,689 22.2,693 1,697 3,699 6,702 1,703 1,704 6,705 6,706 1,707 1,709 9,711 26,722 1,724 1,731 45,733 26,735 33,737 49,738 18,739 16,746 5,747 6,752 2,761 16,762 2,778 1,781 16,782 9,783 4,784 11,787 1,789 1,790 10,794 0.8,795 1,803 1,805 1,811 3,812 2,815 1,840 4,844 2,848 29,849 1,855 1,870 2.2,875 1,877 14.167,878 8.9,879 6.139,880 2.493,881 4.028,882 1.507,883 1.052,884 4.176,885 11.982,886 3.85,887 4.546,888 5.196,889 5.885,890 6.384,891 6.888,892 7.446,893 8.014,894 8.442,895 8.881,896 1,897 44,898 10.587,900 4.55,901 7.747,902 19.873,904 16.151,905 2.247,906 65.167,909 1,910 141.253,911 100.724,912 172.259,914 9.734,917 100.724,918 150.987,919 172.259,920 17.65,922 88.897,923 105.117,924 56.293,925 38.303,926 117.711,928 141.253,929 272.983,930 9.734,933 145.909,934 9.734,937 59.982,938 104.944,939 103.402,941 141.253,942 181.993,943 100.724,946 141.253,947 27.074,948 74.937,949 34.674,950 146.033,951 141.253,952 181.993,953 100.724,955 0.59,956 0.338,957 0.196,958 0.101,959 26,960 11,961 0.082,962 4,963 1,964 1.08,965 4.01,966 276.768,967 0.08,968 25,969 138.881,974 17.643,975 6.865,976 3.298,977 0.689,978 164.044,979 11.062,980 25.597,981 2.766,982 5.4,984 5.092,986 67.571,987 423.971,988 46,999 45.996,1000 51.438,1001 0.303,1002 0.753,1003 0.889,1004 0.953,1005 0.953,1006 0.953,1007 5.091,1008 1.817,1009 5.964,1010 5.449,1011 4.575,1012 5.234,1013 0.278,1014 6.804,1015 4.467,1016 6.335,1017 1.445,1018 7.532,1019 4.963,1020 4.205,1021 5.094,1023 7.714,1024 4.04,1025 7.661,1026 1.262,1027 9.196,1028 4.291,1029 6.192,1030 7.524,1031 0.05,1032 10.858,1033 5.979,1034 9.025,1035 1.121,1036 10.918,1037 3.448,1038 6.635,1039 8.23,1041 12.645,1042 6.368,1043 10.419,1044 0.704,1045 12.679,1046 2.544,1047 8.097,1048 10.1,1049 0.008,1050 15.314,1051 7.78,1052 11.836,1053 0.618,1054 14.469,1055 1.706,1056 8.92,1057 11.218,1059 17.492,1060 8.55,1061 13.272,1062 0.539,1063 16.281,1064 1.514,1065 10.182,1066 12.864,1067 0.001,1068 20.009,1069 9.76,1070 3.3,1071 -0.076,1072 18.113,1073 1.372,1074 11.187,1075 14.189,1077 22.356,1078 10.71,1079 2.893,1080 11.817,1081 19.96,1082 -0.221,1083 12.377,1084 15.747,1086 24.828,1087 11.845,1088 2.685,1089 9.247,1090 21.82,1091 4.66,1092 13.47,1093 17.174,1095 27.244,1096 12.879,1097 2.55,1098 8.099,1099 23.692,1100 3.917,1101 14.639,1102 18.703,1104 29.707,1105 13.99,1106 2.272,1107 7.478,1108 25.574,1109 3.764,1110 15.773,1111 20.18,1113 32.152,1114 15.064,1115 2.078,1116 6.608,1117 27.463,1118 3.497,1119 16.941,1120 21.702,1122 34.614,1123 16.17,1124 1.879,1125 6.05,1126 29.36,1127 3.14,1128 18.097,1129 23.206,1131 37.072,1132 17.263,1133 9573,1134 16674,1135 22.482,1136 30.796,1137 51.16,1138 50.052,1139 51.115,1140 50.436,1141 50.329,1142 69.944,1143 0.8,1144 149.173,1145 47.677,1146 5.512,1147 5.332,1148 6.566,1149 5.338,1150 5.3,1151 7.66,1152 0.8,1153 19.034,1154 5.067,1155 12.187,1156 1.55,1157 1.517,1158 1.549,1159 1.528,1160 1.525,1161 2.12,1162 0.024,1163 4.52,1164 1.445,1165 4.162,1166 4.208,1167 4.142,1168 4.003,1169 5.277,1170 4.032,1171 3.888,1172 3.946,1173 3.85,1174 3.696,1175 5.219,1176 3.727,1177 3.843,1178 3.893,1179 3.801,1180 3.632,1181 5.064,1182 3.665,1183 3.759,1184 3.818,1185 3.723,1186 3.541,1187 4.953,1188 3.577,1189 3.341,1190 3.397,1191 3.267,1192 3.207,1193 4.684,1194 3.216,1195 3.166,1196 3.275,1197 2.991,1198 2.923,1199 4.27,1200 2.925,1201 3.028,1202 3.106,1203 2.88,1204 2.842,1205 4.009,1206 2.841,1207 2.917,1208 3.017,1209 2.777,1210 2.641,1211 3.894,1212 2.657,1213 0.143,1214 0.101,1215 0.211,1216 0.128,1217 0.1,1218 4.716,1219 0.141,1220 3.332,1221 0.012,1222 6.952,1223 0.358,1224 4.238,1225 0.094,1226 3.3,1227 4.66,1228 0.4,1229 11.817,1230 3.099,1231 1.931,1232 1.897,1233 1.999,1234 2.085,1235 1.133,1236 2.059,1237 1.724,1238 1.671,1239 1.817,1240 1.943,1241 0.849,1242 1.907,1243 1.539,1244 1.488,1245 1.751,1246 1.731,1247 0.805,1248 1.72,1249 1.522,1250 1.469,1251 1.666,1252 1.703,1253 0.716,1254 1.702,1255 1.371,1256 1.3,1257 1.539,1258 1.686,1259 0.586,1260 1.65,1261 1.204,1262 1.164,1263 1.425,1264 1.486,1265 0.413,1266 1.471,1267 1.177,1268 1.101,1269 1.329,1270 1.447,1271 0.264,1272 1.407,1273 1.091,1274 0.995,1275 1.273,1276 1.389,1277 0.157,1278 1.367,1279 4.205,1281 5.557,1282 3.434,1283 7.081,1284 5.733,1285 8.692,1286 7.774,1287 10.355,1289 3.63,1293 5.867,1296 3.191,1305 30.509,1306 74.855,1307 186.114,1308 219.624,1309 235.624,1310 235.624,1311 235.624,1312 33.296,1313 7.953,1314 148.73,1315 148.73,1316 27,1317 12.836,1318 4.755,1319 3.807,1320 39.196,1321 97,1322 114,1323 0.19,1324 186.203,1325 293.41,1326 446.096,1327 28700,1329 19.957,1330 0.688,1331 0.537,1332 19.957,1333 15.58,1334 14.064,1335 0.426,1336 0.266,1337 8.597,1338 13.284,1339 8.397,1340 6.985,1341 14.064,1342 8.778,1343 13.312,1344 0.277,1345 0.134,1346 13.312,1347 6.436,1348 11.005,1349 0.169,1350 0.065,1351 11.005,1352 4.255,1353 10.055,1354 0.108,1355 0.033,1356 10.055,1357 3.051,1358 7.463,1359 0.065,1360 0.017,1361 7.463,1362 1.893,1363 0.287,1364 89.566,1365 0.211,1366 26.92,1367 0.556,1368 162,1369 511.229,1370 184.859,1371 498.668,1372 706.66,1373 468,1374 194,1375 566.432,1376 217.858,1377 564.083,1378 824.96,1379 531,1380 6.752}
{0 CHEMBL2172624,1 1.549,2 9.9,3 1.908,4 3.639,5 109.463,6 8.499,7 0.794,8 4.01,9 4.149,10 3.697,11 3.483,12 5.236,13 3.52,14 4.48,15 4.666,16 4.074,17 3.851,18 5.709,19 3.878,20 4.596,21 4.789,22 4.042,23 3.946,24 5.737,25 3.944,26 4.65,27 4.85,28 4.062,29 3.961,30 5.792,31 3.942,32 4.689,33 4.908,34 4.096,35 3.958,36 5.817,37 3.962,38 4.715,39 4.925,40 4.166,41 4.014,42 5.882,43 4.015,44 4.743,45 4.955,46 4.076,47 4.005,48 5.902,49 3.989,50 4.71,51 4.944,52 3.954,53 3.937,54 5.833,55 3.888,56 0.123,57 0.869,58 7.463,59 2.985,60 9.931,61 3.78,62 0.392,63 1.299,64 14.633,65 4.919,66 27.47,67 6.519,68 0.402,69 1.402,70 16.517,71 5.371,72 27.134,73 6.991,74 0.36,75 1.437,76 18.079,77 6.609,78 27.819,79 9.022,80 0.515,81 1.476,82 20.069,83 5.657,84 35.401,85 7.745,86 0.446,87 1.538,88 20.262,89 6.632,90 32.386,91 9.181,92 0.49,93 1.539,94 20.275,95 6.039,96 38.213,97 8.12,98 0.494,99 1.407,100 21.611,101 7.165,102 39.363,103 10.027,104 10,105 49,106 0.258,107 0.667,108 0.838,109 0.862,110 0.862,111 0.862,112 3.442,113 0.802,114 -5.19,115 -5.08,116 -4.76,119 40.4,120 1,124 1,142 3,143 2,145 2,147 2,148 1,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,166 1,172 3,174 5,175 9,177 2,178 4,180 1,183 2,186 2,187 5,190 2,195 1,198 3,199 5,201 1,202 3,204 2,209 1,211 5,212 9,214 1,215 1,217 2,223 4,224 8,226 1,227 2,228 1,229 2,231 1,232 1,236 4,237 5,242 2,245 4,247 2,249 5,250 7,252 1,253 3,255 3,258 4,260 3,262 1,263 2,265 1,266 1,275 1614,276 20.411,277 20.411,278 20.411,279 20.411,280 20.411,281 17.209,282 18.237,283 11.993,284 21.076,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 12.063,291 28.388,292 5.802,293 17.973,294 4.005,295 1.543,296 0.516,297 0.373,298 0.373,299 0.373,300 4.151,304 1,305 1,306 657,307 2.55,310 136.338,311 252.268,314 115.83,318 1.513,319 23.672,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 65.5,331 297,332 4.716,333 3.332,334 6.952,335 4.238,336 3.3,337 4.66,338 0.4,339 11.817,340 3.096,341 4.215,342 2.868,343 6.161,344 3.82,345 2.841,346 3.858,348 9.128,349 2.785,350 4.104,351 2.827,352 5.819,353 3.647,354 2.714,355 3.725,357 8.065,358 2.538,359 4.051,360 2.702,361 5.634,362 3.566,363 2.634,364 3.672,366 7.784,367 2.44,368 3.616,369 2.285,370 5.367,371 3.157,372 2.212,373 3.057,375 6.764,376 2.089,377 3.345,378 2.13,379 5.035,380 2.912,381 1.988,382 2.697,384 5.857,385 1.834,386 3.233,387 2.073,388 4.618,389 2.796,390 1.879,391 2.485,393 4.963,394 1.72,395 3.232,396 1.832,397 4.578,398 2.743,399 1.805,400 2.481,402 4.754,403 1.69,404 2.966,405 1.657,406 4.542,407 2.499,408 1.57,409 2.149,411 4.424,412 1.457,413 2.922,414 1.455,415 4.417,416 2.381,417 1.444,418 2.109,420 4.181,421 1.35,422 2.631,423 1.147,424 3.521,425 2.095,426 1.143,427 1.694,428 2.692,429 1.085,430 2.5,431 1,432 3.509,433 1.917,434 1,435 1.5,436 2.136,437 0.916,438 2.207,439 0.758,440 3.273,441 1.705,442 0.731,443 1.07,445 1.744,446 0.71,447 2.03,448 0.561,449 3.247,450 1.506,451 0.555,452 0.811,454 1.549,455 0.526,456 1.265,457 0.114,458 2.953,459 0.899,460 -0.024,461 -0.03,463 -0.071,464 -0.022,465 13.9,466 0.463,467 0.78,468 0.026,469 47.25,470 1.575,471 25,472 0.833,473 22.25,474 0.742,475 20.156,476 0.672,477 30.5,478 0.649,479 35.881,480 1.196,481 9.325,482 0.311,483 5.239,484 0.175,485 0.101,487 0.381,493 1.005,494 1.547,495 0.677,496 1.096,497 1.057,498 0.869,499 0.835,500 0.963,501 0.674,502 0.78,503 0.537,504 0.709,505 1.223,506 1.029,507 1.043,508 0.921,509 1.211,510 0.939,511 0.789,512 1.209,513 0.896,514 1.186,515 0.648,516 1.086,517 1.242,518 0.958,519 0.973,520 0.795,521 1.269,522 0.821,523 0.885,524 1.082,525 0.787,526 0.937,527 0.663,528 0.859,529 1.324,530 1.107,531 1.178,532 1.036,533 1.321,534 1.068,535 0.837,536 0.914,537 1.023,538 1.06,539 0.807,540 1.077,541 6.5,542 0.106,543 2.667,544 2.674,545 1.148,546 1.313,547 0.83,548 0.6,549 0.374,550 0.292,551 11278,552 32581,553 2.165,554 36.2,556 6,557 2,558 3,559 3,560 3,564 1.737,565 2.045,566 3.261,567 0.999,568 1,569 1,573 72.814,574 1.549,575 4.011,576 5.038,577 5.182,578 5.182,579 5.182,580 2.719,581 4.507,582 4.875,583 3.428,584 1491.19,585 8.556,586 20124.8,588 1,590 1,591 261.066,592 1.347,593 4.848,594 0.191,595 0.005,596 0.054,597 0.057,598 0.024,599 0.027,600 0.016,601 0.013,602 0.009,603 0.009,604 0.406,605 0.17,606 0.88,607 0.496,608 150.972,609 -0.115,610 -0.364,611 0.056,612 -0.139,613 -0.227,614 -0.03,615 0.193,616 0.15,617 0.179,618 0.149,619 0.311,620 0.159,621 -0.227,622 0.065,623 -0.186,624 0.019,625 -0.337,626 -0.057,627 0.109,628 -0.175,629 0.001,630 -0.192,631 0.183,632 -0.133,633 -0.152,634 0.089,635 -0.042,636 0.12,637 -0.264,638 0.074,639 0.09,640 -0.049,641 0.134,642 0.03,643 0.244,644 0.08,645 -0.275,646 -0.055,647 -0.267,648 -0.111,649 -0.286,650 -0.173,651 0.109,652 0.057,653 -0.043,654 -0.065,655 0.164,656 -0.083,657 1.524,658 1.892,659 0.867,660 28.733,661 1.016,662 1.143,663 3.96,664 15.678,665 0.688,666 3.555,667 3.912,668 4.205,669 4.554,670 4.787,671 4.97,672 5.193,673 5.421,674 5.549,675 5.67,676 6.094,677 0.677,678 399.47,679 3.555,680 5.118,681 5.984,682 6.887,683 7.773,684 8.685,685 9.582,686 10.5,687 11.405,688 12.326,689 23.4,693 1,697 3,699 7,702 1,703 1,704 8,705 7,709 8,710 1,711 27,722 1,724 1,731 47,733 27,735 34,737 51,738 19,739 17,746 5,747 6,752 1,761 17,762 2,778 1,781 17,782 9,783 3,784 11,787 1,790 11,794 0.8,803 1,805 1,806 1,811 2,812 3,815 1,840 4,844 2,848 30,849 1,855 1,877 14.667,878 9.3,879 6.389,880 2.558,881 4.201,882 1.523,883 1.046,884 4.434,885 12.238,886 3.882,887 4.57,888 5.215,889 5.899,890 6.451,891 6.893,892 7.464,893 8.024,894 8.456,895 8.92,896 0.857,897 47,898 10.953,900 4.667,901 7.717,902 20.631,904 16.663,905 2.217,906 66.5,910 164.795,911 112.513,912 171.347,917 112.513,918 164.795,919 171.347,920 17.222,922 79.421,923 154.405,924 58.814,925 32.854,926 105.94,928 164.795,929 283.86,933 169.451,937 60.227,938 101.601,939 117.376,941 164.795,942 171.347,943 112.513,946 164.795,947 22.054,948 93.522,949 18.011,950 150.273,951 164.795,952 171.347,953 112.513,955 0.587,956 0.336,957 0.194,958 0.105,959 26,960 11,961 0.078,962 4,963 1,964 1.077,965 4.088,966 288.406,967 0.077,968 26,969 143.207,974 18.311,975 7.265,976 3.536,977 0.709,978 168.284,979 14.51,980 30.194,984 4.721,985 1.705,986 50.908,987 448.655,988 47.5,999 47.771,1000 53.727,1001 0.279,1002 0.722,1003 0.907,1004 0.933,1005 0.933,1006 0.933,1007 5.116,1008 1.805,1009 5.979,1010 4.963,1011 4.595,1012 5.257,1013 0.278,1014 6.812,1015 4.473,1016 6.356,1017 1.57,1018 7.543,1019 4.754,1020 4.205,1021 5.094,1023 7.714,1024 4.031,1025 7.679,1026 1.444,1027 9.203,1028 4.424,1029 6.205,1030 7.541,1031 0.05,1032 10.859,1033 5.968,1034 9.038,1035 1.143,1036 10.922,1037 4.181,1038 6.621,1039 8.209,1041 12.642,1042 6.338,1043 10.428,1044 1,1045 12.681,1046 2.692,1047 8.103,1048 10.112,1049 0.008,1050 15.311,1051 7.758,1052 11.841,1053 0.731,1054 14.47,1055 2.136,1056 8.908,1057 11.2,1059 17.488,1060 8.514,1061 13.274,1062 0.555,1063 16.281,1064 1.744,1065 10.182,1066 12.869,1067 0.001,1068 20.004,1069 9.728,1070 3.3,1071 -0.024,1072 18.112,1073 1.549,1074 11.178,1075 14.175,1077 22.35,1078 10.669,1079 2.841,1080 11.817,1081 19.959,1082 -0.071,1083 12.373,1084 15.747,1086 24.822,1087 11.804,1088 2.714,1089 9.128,1090 21.819,1091 4.66,1092 13.46,1093 17.163,1095 27.239,1096 12.831,1097 2.634,1098 8.065,1099 23.69,1100 3.858,1101 14.631,1102 18.698,1104 29.702,1105 13.94,1106 2.212,1107 7.784,1108 25.571,1109 3.725,1110 15.762,1111 20.17,1113 32.147,1114 15.008,1115 1.988,1116 6.764,1117 27.46,1118 3.672,1119 16.93,1120 21.696,1122 34.61,1123 16.112,1124 1.879,1125 5.857,1126 29.356,1127 3.057,1128 18.084,1129 23.197,1131 37.068,1132 17.202,1133 10512,1134 18050,1135 23.175,1136 32.347,1137 52.419,1138 51.471,1139 52.781,1140 51.693,1141 51.631,1142 71.935,1143 0.8,1144 151.712,1145 48.472,1146 5.512,1147 5.332,1148 6.754,1149 5.338,1150 5.3,1151 7.66,1152 0.8,1153 19.033,1154 5.047,1155 12.466,1156 1.542,1157 1.514,1158 1.552,1159 1.52,1160 1.519,1161 2.116,1162 0.024,1163 4.462,1164 1.426,1165 4.16,1166 4.208,1167 4.14,1168 4.007,1169 5.268,1170 4.034,1171 3.907,1172 3.976,1173 3.859,1174 3.71,1175 5.079,1176 3.738,1177 3.829,1178 3.887,1179 3.797,1180 3.646,1181 4.988,1182 3.677,1183 3.743,1184 3.809,1185 3.705,1186 3.528,1187 4.91,1188 3.565,1189 3.343,1190 3.404,1191 3.274,1192 3.188,1193 4.684,1194 3.202,1195 3.168,1196 3.276,1197 2.991,1198 2.919,1199 4.29,1200 2.924,1201 3.081,1202 3.178,1203 2.901,1204 2.857,1205 4.011,1206 2.847,1207 2.952,1208 3.023,1209 2.86,1210 2.792,1211 3.962,1212 2.8,1213 0.139,1214 0.098,1215 0.204,1216 0.125,1217 0.097,1218 4.716,1219 0.137,1220 3.332,1221 0.012,1222 6.952,1223 0.348,1224 4.238,1225 0.091,1226 3.3,1227 4.66,1228 0.4,1229 11.817,1230 3.096,1231 1.961,1232 1.926,1233 2.03,1234 2.104,1235 1.153,1236 2.082,1237 1.74,1238 1.687,1239 1.825,1240 1.961,1241 0.834,1242 1.923,1243 1.628,1244 1.573,1245 1.751,1246 1.837,1247 0.797,1248 1.809,1249 1.543,1250 1.484,1251 1.735,1252 1.813,1253 0.729,1254 1.791,1255 1.481,1256 1.397,1257 1.627,1258 1.725,1259 0.671,1260 1.7,1261 1.253,1262 1.194,1263 1.475,1264 1.451,1265 0.522,1266 1.473,1267 1.11,1268 1.013,1269 1.345,1270 1.401,1271 0.196,1272 1.392,1273 0.943,1274 0.885,1275 1.109,1276 1.164,1277 0.119,1278 1.159,1279 4.234,1281 5.58,1282 3.045,1283 7.107,1284 5.416,1285 8.722,1286 7.516,1287 10.387,1289 3.614,1293 5.892,1296 3.25,1305 31.816,1306 72.814,1307 188.536,1308 236.801,1309 243.556,1310 243.556,1311 243.556,1312 33.502,1313 8.037,1314 137.62,1315 137.62,1316 28,1317 12.837,1318 4.807,1319 3.858,1320 41.167,1321 103,1322 119,1323 0.186,1324 195.666,1325 310.28,1326 469.186,1327 32215,1329 20.665,1330 0.689,1331 0.541,1332 20.665,1333 16.221,1334 14.564,1335 0.428,1336 0.267,1337 8.905,1338 13.801,1339 8.683,1340 7.238,1341 14.564,1342 9.093,1343 13.666,1344 0.279,1345 0.136,1346 13.666,1347 6.646,1348 11.248,1349 0.17,1350 0.067,1351 11.248,1352 4.449,1353 10.274,1354 0.109,1355 0.034,1356 10.274,1357 3.176,1358 8.024,1359 0.067,1360 0.017,1361 8.024,1362 2.022,1363 0.283,1364 92.355,1365 0.208,1366 27.746,1367 0.544,1368 166,1369 504.451,1370 187.12,1371 498.052,1372 704.63,1373 468,1374 198,1375 554.927,1376 220.065,1377 560.772,1378 819.32,1379 526,1380 6.197}
{0 CHEMBL2172625,1 1.561,2 7.304,3 1.763,4 3.107,5 84.698,6 8.538,7 0.808,8 3.756,9 3.902,10 3.44,11 3.215,12 4.993,13 3.255,14 4.203,15 4.378,16 3.81,17 3.562,18 5.439,19 3.595,20 4.33,21 4.548,22 3.744,23 3.582,24 5.482,25 3.599,26 4.283,27 4.48,28 3.765,29 3.61,30 5.464,31 3.612,32 4.347,33 4.546,34 3.782,35 3.633,36 5.513,37 3.637,38 4.43,39 4.66,40 3.814,41 3.656,42 5.625,43 3.649,44 4.4,45 4.637,46 3.563,47 3.589,48 5.529,49 3.545,50 4.242,51 4.497,52 3.181,53 3.375,54 5.303,55 3.261,56 0.138,57 0.669,58 5.868,59 2.202,60 9.474,61 2.81,62 0.242,63 0.985,64 10.414,65 3.65,66 17.203,67 4.974,68 0.398,69 1.016,70 13.718,71 3.418,72 27.917,73 4.757,74 0.311,75 1.008,76 12.265,77 4.216,78 21.058,79 5.745,80 0.323,81 1.058,82 12.869,83 4.004,84 23.22,85 5.485,86 0.444,87 1.083,88 16.124,89 4.806,90 31.884,91 6.859,92 0.398,93 0.991,94 15.591,95 4.261,96 30.921,97 6.023,98 0.29,99 0.768,100 14.29,101 4.684,102 28.291,103 6.814,104 5,105 37,106 0.277,107 0.683,108 0.846,109 0.885,110 0.885,111 0.885,112 3.19,113 0.799,114 -4.42,115 -4.36,116 -4.11,119 38.9,120 1,142 4,145 1,146 1,147 3,149 1,151 1,152 1,161 1,163 1,164 1,165 1,166 1,168 1,172 1,174 2,175 8,177 1,178 3,180 3,185 1,186 2,187 4,190 1,191 1,198 3,199 3,201 1,202 3,204 3,207 1,209 1,211 2,212 3,214 1,215 2,217 1,220 1,223 4,224 7,226 2,227 4,228 1,229 1,231 1,232 3,237 2,240 2,242 3,245 2,247 1,249 1,250 3,252 1,253 1,255 3,258 2,260 2,266 1,267 1,268 1,270 1,275 752,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.223,282 15.074,283 9.361,284 16.187,285 12.909,286 12.909,287 12.909,288 12.909,289 12.909,290 9.173,291 23.388,292 4.517,293 13.661,294 3.609,295 1.327,296 0.41,297 0.188,298 0.188,299 0.188,300 3.887,303 1,304 1,305 1,306 369,307 2.236,310 94.981,311 117.017,314 84.741,318 1.1,319 18.671,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 50.5,331 168,332 4.697,333 3.317,334 6.943,335 4.229,336 3.282,337 4.633,338 0.4,339 11.776,340 3.104,341 4.124,342 2.798,343 5.854,344 3.638,345 2.7,346 3.798,348 8.163,349 2.532,350 3.941,351 2.672,352 5.556,353 3.499,354 2.558,355 3.498,357 7.486,358 2.406,359 3.611,360 2.258,361 5.286,362 3.158,363 2.204,364 3.047,366 6.59,367 2.099,368 3.262,369 2.084,370 4.933,371 2.823,372 1.879,373 2.565,375 5.507,376 1.771,377 3.232,378 1.94,379 4.618,380 2.795,381 1.863,382 2.481,384 4.963,385 1.731,386 2.93,387 1.471,388 4.526,389 2.409,390 1.455,391 2.128,393 4.258,394 1.387,395 2.859,396 1.407,397 3.643,398 2.347,399 1.386,400 2.023,402 2.994,403 1.327,404 2.557,405 1.175,406 3.514,407 2.058,408 1.12,409 1.581,411 2.52,412 1.048,413 2.118,414 0.618,415 3.327,416 1.604,417 0.618,418 0.927,420 1.401,421 0.609,422 1.996,423 0.531,424 3,425 1.466,426 0.522,427 0.762,428 1.372,429 0.492,430 1.177,431 0.006,432 2.775,433 0.803,434 -0.124,435 -0.157,436 -0.353,437 -0.115,438 1,439 -0.127,440 2.546,441 0.602,442 -0.347,443 -0.445,445 -0.891,446 -0.328,447 0.876,448 -0.266,449 2.382,450 0.458,451 -0.469,452 -0.587,454 -1.189,455 -0.435,456 0.632,457 -0.651,458 2.249,459 0.192,460 -0.76,461 -0.952,463 -1.947,464 -0.721,465 10.6,466 0.461,467 0.554,468 0.024,469 35.5,470 1.543,471 19,472 0.826,473 16.5,474 0.717,475 14.018,476 0.609,477 23.6,478 0.656,479 24.193,480 1.052,481 7.121,482 0.31,483 4.083,484 0.178,485 0.085,487 0.368,493 0.994,494 1.338,495 0.695,496 0.967,497 1.113,498 0.801,499 0.8,500 1.354,501 0.665,502 1.079,503 0.599,504 0.885,505 1.408,506 0.959,507 1.053,508 0.749,509 1.362,510 0.808,511 0.82,512 1.049,513 0.839,514 1.006,515 0.591,516 0.941,517 1.121,518 1.237,519 1.022,520 1.113,521 1.247,522 1.058,523 0.823,524 0.844,525 0.848,526 0.862,527 0.614,528 0.861,529 1.37,530 0.974,531 1.31,532 1.025,533 1.317,534 1.131,535 0.892,536 1.046,537 1.274,538 1.36,539 1.118,540 1.395,541 4.5,543 1.778,544 2.201,545 0.961,546 0.816,547 0.548,548 0.28,549 0.143,550 0.056,551 5286,552 15542,553 2.168,554 36.1,556 4,557 1,558 1,559 4,560 3,564 1.667,565 2.06,566 2.902,567 1.951,568 1,569 1,571 1,573 56.179,574 1.561,575 3.843,576 4.76,577 4.982,578 4.982,579 4.982,580 2.248,581 3.969,582 4.495,583 3.056,584 773.217,585 7.79,586 8662.14,587 1,588 1,590 1,591 186.117,592 1.302,593 4.469,594 0.173,596 0.048,597 0.065,598 0.027,599 0.023,600 0.015,601 0.01,602 0.008,603 0.009,604 0.38,605 0.17,606 1,607 0.503,608 104.682,609 -0.086,610 -0.141,611 0.036,612 -0.012,613 -0.263,614 0.03,615 0.144,616 -0.239,617 0.155,618 -0.125,619 0.216,620 -0.008,621 -0.295,622 0.099,623 -0.143,624 0.135,625 -0.368,626 0.049,627 0.114,628 0.02,629 0.029,630 -0.033,631 0.249,632 -0.023,633 -0.129,634 -0.165,635 -0.155,636 -0.18,637 -0.27,638 -0.175,639 0.198,640 0.153,641 0.113,642 0.086,643 0.342,644 0.082,645 -0.356,646 0.009,647 -0.35,648 -0.083,649 -0.291,650 -0.191,651 -0.04,652 -0.159,653 -0.247,654 -0.32,655 -0.095,656 -0.328,657 1.274,658 1.857,659 0.87,660 16.578,661 1.019,662 1.148,663 3.195,664 10.207,665 0.683,666 3.296,667 3.638,668 3.932,669 4.29,670 4.477,671 4.644,672 4.796,673 4.949,674 4.927,675 4.913,676 4.913,677 0.674,678 307.36,679 3.296,680 4.844,681 5.707,682 6.608,683 7.493,684 8.404,685 9.3,686 10.217,687 11.119,688 12.039,689 25,693 1,697 3,699 5,703 1,704 6,705 5,706 1,709 6,711 21,722 1,724 1,731 36,733 21,735 26,737 39,738 14,739 13,746 4,747 5,752 1,761 13,762 1,777 1,778 1,781 13,782 7,783 4,784 9,787 1,790 9,794 0.75,803 1,804 1,806 1,811 2,812 2,815 1,840 3,844 1,848 23,849 1,855 1,877 11.167,878 6.783,879 4.944,880 1.94,881 3.893,882 1.537,883 1.055,884 3.261,885 11.138,886 3.624,887 4.304,888 4.951,889 5.64,890 6.136,891 6.561,892 7.057,893 7.555,894 7.828,895 8.179,896 0.8,897 34,898 8.383,900 3.569,901 7.746,902 15.731,904 12.661,905 2.246,906 51.667,910 105.94,911 81.366,912 152.418,917 81.366,918 105.94,919 152.418,920 8.825,922 79.85,923 97.169,924 49.97,925 21.512,926 82.398,928 105.94,929 233.783,933 108.268,937 58.182,938 89.59,939 83.683,941 105.94,942 152.418,943 81.366,946 105.94,947 16.54,948 65.989,949 34.674,950 116.58,951 105.94,952 152.418,953 81.366,955 0.581,956 0.335,957 0.201,958 0.105,959 20,960 8,961 0.077,962 3,963 1,964 1.1,965 3.504,966 196.37,967 0.1,968 20,969 104.042,974 13.818,975 5.427,976 2.544,977 0.69,978 134.591,979 10.603,980 21.562,981 2.753,984 3.544,986 67.571,987 339.723,988 36.5,999 36.683,1000 41.315,1001 0.302,1002 0.743,1003 0.921,1004 0.964,1005 0.964,1006 0.964,1007 4.846,1008 1.386,1009 5.694,1010 4.258,1011 4.317,1012 4.99,1013 0.278,1014 6.526,1015 4.205,1016 6.08,1017 1.12,1018 7.253,1019 2.994,1020 3.892,1021 4.808,1023 7.438,1024 3.713,1025 7.399,1026 0.618,1027 8.914,1028 2.52,1029 5.916,1030 7.279,1031 0.05,1032 10.603,1033 5.687,1034 8.758,1035 0.522,1036 10.637,1037 1.401,1038 6.33,1039 7.966,1041 12.425,1042 6.034,1043 10.15,1044 -0.124,1045 12.404,1046 1.372,1047 7.819,1048 9.868,1049 0.008,1050 15.111,1051 7.474,1052 11.567,1053 -0.347,1054 14.202,1055 -0.353,1056 8.638,1057 10.988,1059 17.325,1060 8.231,1061 13.005,1062 -0.469,1063 16.025,1064 -0.891,1065 9.918,1066 12.656,1067 0.001,1068 19.858,1069 9.46,1070 3.282,1071 -0.76,1072 17.869,1073 -1.189,1074 10.932,1075 13.99,1077 22.23,1078 10.415,1079 2.7,1080 11.776,1081 19.729,1082 -1.947,1083 12.135,1084 15.564,1086 24.714,1087 11.566,1088 2.558,1089 8.163,1090 21.603,1091 4.633,1092 13.238,1093 17.001,1095 27.145,1096 12.612,1097 2.204,1098 7.486,1099 23.489,1100 3.798,1101 14.419,1102 18.54,1104 29.616,1105 13.739,1106 1.879,1107 6.59,1108 25.384,1109 3.498,1110 15.563,1111 20.025,1113 32.068,1114 14.827,1115 1.863,1116 5.507,1117 27.287,1118 3.047,1119 16.739,1120 21.553,1122 34.535,1123 15.949,1124 1.455,1125 4.963,1126 29.196,1127 2.565,1128 17.903,1129 23.061,1131 36.996,1132 17.058,1133 5007,1134 8731,1135 17.8,1136 24.574,1137 39.769,1138 38.949,1139 39.784,1140 39.238,1141 39.174,1142 54.886,1143 0.8,1144 114.06,1145 37.013,1146 5.493,1147 5.317,1148 6.624,1149 5.311,1150 5.282,1151 7.633,1152 0.8,1153 18.981,1154 5.043,1155 8.319,1156 1.53,1157 1.498,1158 1.53,1159 1.509,1160 1.507,1161 2.111,1162 0.031,1163 4.387,1164 1.424,1165 4.13,1166 4.186,1167 4.113,1168 3.944,1169 5.222,1170 3.98,1171 3.863,1172 3.937,1173 3.81,1174 3.649,1175 5.109,1176 3.679,1177 3.807,1178 3.866,1179 3.766,1180 3.636,1181 5.005,1182 3.66,1183 3.36,1184 3.42,1185 3.284,1186 3.217,1187 4.678,1188 3.226,1189 3.196,1190 3.293,1191 3.015,1192 3.007,1193 4.407,1194 2.996,1195 2.911,1196 3.017,1197 2.824,1198 2.639,1199 3.968,1200 2.67,1201 2.784,1202 2.883,1203 2.668,1204 2.511,1205 3.792,1206 2.541,1207 2.719,1208 2.833,1209 2.587,1210 2.376,1211 3.711,1212 2.42,1213 0.181,1214 0.128,1215 0.267,1216 0.163,1217 0.126,1218 4.697,1219 0.178,1220 3.317,1221 0.015,1222 6.943,1223 0.453,1224 4.229,1225 0.119,1226 3.282,1227 4.633,1228 0.4,1229 11.776,1230 3.104,1231 1.872,1232 1.825,1233 1.943,1234 2.069,1235 1.004,1236 2.033,1237 1.756,1238 1.709,1239 1.859,1240 1.943,1241 0.868,1242 1.92,1243 1.525,1244 1.474,1245 1.665,1246 1.73,1247 0.716,1248 1.701,1249 1.368,1250 1.295,1251 1.57,1252 1.686,1253 0.634,1254 1.65,1255 1.227,1256 1.14,1257 1.467,1258 1.464,1259 0.402,1260 1.496,1261 1.115,1262 1.034,1263 1.252,1264 1.385,1265 0.197,1266 1.359,1267 0.93,1268 0.864,1269 1.103,1270 1.171,1271 0.109,1272 1.159,1273 0.65,1274 0.523,1275 0.98,1276 1.031,1278 1.028,1279 3.97,1281 5.303,1282 3.045,1283 6.821,1284 5.352,1285 8.432,1286 7.424,1287 10.097,1289 1.789,1293 5.857,1296 3.164,1305 24.246,1306 56.179,1307 138.343,1308 171.362,1309 179.362,1310 179.362,1311 179.362,1312 24.154,1313 7.246,1314 122.7,1315 122.7,1316 22,1317 12.551,1318 4.459,1319 3.524,1320 31.482,1321 64,1322 64,1323 0.235,1324 150.292,1325 232.96,1326 358.472,1327 12471,1329 15.811,1330 0.687,1331 0.532,1332 15.811,1333 12.225,1334 11.204,1335 0.431,1336 0.266,1337 6.786,1338 10.61,1339 6.659,1340 5.54,1341 11.204,1342 6.926,1343 10.345,1344 0.28,1345 0.133,1346 10.345,1347 4.912,1348 8.482,1349 0.17,1350 0.065,1351 8.482,1352 3.241,1353 7.917,1354 0.11,1355 0.033,1356 7.917,1357 2.369,1358 5.828,1359 0.067,1360 0.016,1361 5.828,1362 1.413,1363 0.35,1364 71.088,1365 0.237,1366 21.949,1367 0.707,1368 126,1369 385.849,1370 143.096,1371 380.967,1372 540.77,1373 358,1374 150,1375 431.237,1376 167.985,1377 431.126,1378 630.71,1379 407,1380 6.117}
{0 CHEMBL2172626,1 1.536,2 7.304,3 2.413,4 5.82,5 85.77,6 8.28,7 0.808,8 3.77,9 3.913,10 3.432,11 3.254,12 4.979,13 3.282,14 4.223,15 4.397,16 3.802,17 3.614,18 5.429,19 3.629,20 4.368,21 4.584,22 3.734,23 3.657,24 5.47,25 3.648,26 4.339,27 4.538,28 3.76,29 3.676,30 5.468,31 3.657,32 4.388,33 4.589,34 3.777,35 3.695,36 5.519,37 3.678,38 4.473,39 4.705,40 3.8,41 3.728,42 5.6,43 3.699,44 4.447,45 4.678,46 3.564,47 3.667,48 5.543,49 3.599,50 4.338,51 4.611,52 3.189,53 3.434,54 5.345,55 3.299,56 0.1,57 0.671,58 6.398,59 2.392,60 9.001,61 3.113,62 0.213,63 1.006,64 11.247,65 4.09,66 16.804,67 5.556,68 0.343,69 1.063,70 14.876,71 4.146,72 25.392,73 5.778,74 0.254,75 1.057,76 13.748,77 4.807,78 19.566,79 6.645,80 0.294,81 1.104,82 14.333,83 4.635,84 22.811,85 6.386,86 0.37,87 1.14,88 17.536,89 5.499,90 28.17,91 7.873,92 0.315,93 1.064,94 16.629,95 5.086,96 29.031,97 7.18,98 0.276,99 0.843,100 17.066,101 5.524,102 31.032,103 8.203,104 5,105 37,106 0.272,107 0.655,108 0.823,109 0.888,110 0.888,111 0.888,112 3.19,113 0.815,114 -4.61,115 -4.53,116 -4.26,119 40.5,120 1,142 5,146 1,147 3,149 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 2,174 2,175 8,177 1,178 3,180 3,183 1,185 1,186 1,187 3,190 1,191 1,198 2,199 3,201 1,202 2,204 3,207 1,209 1,211 2,212 4,214 1,215 2,217 2,220 2,223 2,224 5,226 1,227 3,228 1,229 1,231 1,232 3,237 4,240 1,242 4,245 4,247 2,249 1,250 3,252 1,253 1,255 4,258 2,260 2,266 1,267 1,268 1,270 1,275 752,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.223,282 15.074,283 9.361,284 16.19,285 12.909,286 12.909,287 12.909,288 12.909,289 12.909,290 9.173,291 23.388,292 4.517,293 13.67,294 3.673,295 1.501,296 0.55,297 0.183,298 0.183,299 0.183,300 3.887,303 1,304 1,305 1,306 369,307 2.236,310 94.981,311 117.017,314 84.741,318 1.1,319 16.407,320 1,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 50,331 168,332 4.697,333 3.317,334 6.943,335 4.223,336 3.282,337 4.633,338 0.4,339 11.776,340 3.088,341 4.124,342 2.798,343 5.854,344 3.637,345 2.7,346 3.798,348 8.163,349 2.528,350 3.941,351 2.672,352 5.556,353 3.498,354 2.558,355 3.498,357 7.486,358 2.403,359 3.611,360 2.258,361 5.286,362 3.158,363 2.204,364 3.047,366 6.59,367 2.1,368 3.262,369 2.084,370 4.933,371 2.823,372 1.879,373 2.565,375 5.507,376 1.771,377 3.232,378 1.94,379 4.618,380 2.793,381 1.863,382 2.481,384 4.963,385 1.729,386 2.93,387 1.471,388 4.526,389 2.403,390 1.455,391 2.128,393 4.258,394 1.378,395 2.859,396 1.407,397 3.643,398 2.359,399 1.386,400 2.023,402 2.994,403 1.344,404 2.557,405 1.175,406 3.514,407 2.058,408 1.12,409 1.581,411 2.52,412 1.048,413 2.118,414 0.618,415 3.327,416 1.604,417 0.618,418 0.927,420 1.401,421 0.609,422 1.996,423 0.531,424 3,425 1.477,426 0.522,427 0.762,428 1.372,429 0.498,430 1.177,431 0.006,432 2.775,433 0.801,434 -0.124,435 -0.157,436 -0.353,437 -0.115,438 1,439 -0.127,440 2.546,441 0.602,442 -0.347,443 -0.445,445 -0.891,446 -0.328,447 0.876,448 -0.266,449 2.382,450 0.459,451 -0.469,452 -0.587,454 -1.189,455 -0.435,456 0.632,457 -0.651,458 2.249,459 0.186,460 -0.76,461 -0.952,463 -1.947,464 -0.715,465 10.7,466 0.465,467 0.554,468 0.024,469 35.5,470 1.543,471 19,472 0.826,473 16.5,474 0.717,475 14.093,476 0.613,477 23.5,478 0.635,479 24.118,480 1.049,481 7.102,482 0.309,483 4.102,484 0.178,485 0.084,487 0.364,493 1.064,494 1.369,495 0.721,496 0.966,497 1.141,498 0.811,499 0.766,500 1.253,501 0.696,502 1.038,503 0.549,504 0.887,505 1.369,506 0.925,507 1.055,508 0.783,509 1.329,510 0.844,511 0.873,512 1.116,513 0.879,514 1.046,515 0.623,516 0.979,517 1.095,518 1.143,519 1.034,520 1.074,521 1.223,522 1.048,523 0.876,524 0.896,525 0.861,526 0.876,527 0.662,528 0.868,529 1.301,530 1.066,531 1.311,532 1.149,533 1.325,534 1.217,535 0.836,536 1.01,537 1.175,538 1.26,539 1.04,540 1.28,541 4.5,543 1.778,544 2.201,545 0.961,546 0.816,547 0.548,548 0.28,549 0.143,550 0.056,551 5286,552 14868,553 2.168,554 37.8,556 5,557 2,559 4,560 3,564 1.667,565 2.06,566 2.902,567 1.908,568 1,569 1,571 1,573 56.843,574 1.536,575 3.709,576 4.659,577 5.027,578 5.027,579 5.027,580 2.248,581 3.969,582 4.495,583 3.056,584 773.217,585 7.79,586 8662.14,587 1,588 1,590 1,591 192.75,592 1.302,593 4.469,594 0.173,596 0.048,597 0.065,598 0.027,599 0.023,600 0.015,601 0.01,602 0.008,603 0.009,604 0.38,605 0.17,606 1,607 0.503,608 104.682,609 -0.133,610 -0.184,611 0.036,612 -0.017,613 -0.269,614 0.032,615 0.197,616 -0.138,617 0.137,618 -0.087,619 0.251,620 -0.004,621 -0.265,622 0.138,623 -0.138,624 0.126,625 -0.352,626 0.038,627 0.057,628 -0.064,629 0.006,630 -0.071,631 0.208,632 -0.048,633 -0.08,634 -0.074,635 -0.149,636 -0.138,637 -0.239,638 -0.154,639 0.12,640 0.097,641 0.103,642 0.088,643 0.268,644 0.091,645 -0.32,646 -0.074,647 -0.364,648 -0.191,649 -0.289,650 -0.269,651 0.026,652 -0.157,653 -0.12,654 -0.23,655 -0.002,656 -0.209,657 1.246,658 1.877,659 0.87,660 16.578,661 1.013,662 1.141,663 3.378,664 11.411,665 0.685,666 3.296,667 3.638,668 3.932,669 4.29,670 4.477,671 4.644,672 4.796,673 4.949,674 4.927,675 4.913,676 4.913,677 0.669,678 306.37,679 3.296,680 4.844,681 5.707,682 6.608,683 7.493,684 8.404,685 9.3,686 10.217,687 11.119,688 12.039,689 21.6,693 1,697 3,699 4,703 1,704 7,705 4,706 1,709 6,711 21,722 1,724 1,731 37,733 21,735 26,737 40,738 15,739 14,746 4,747 5,752 1,761 14,762 1,777 1,778 1,781 14,782 6,783 4,784 8,787 1,790 8,794 0.75,803 1,805 1,806 1,811 2,812 2,815 1,840 3,844 1,848 23,849 1,855 1,877 11.167,878 6.917,879 4.944,880 2.011,881 3.893,882 1.537,883 1.061,884 3.297,885 11.138,886 3.624,887 4.304,888 4.951,889 5.64,890 6.136,891 6.561,892 7.057,893 7.555,894 7.828,895 8.179,896 0.8,897 34,898 8.394,900 3.57,901 7.703,902 15.86,904 12.844,905 2.203,906 50.667,910 117.711,911 90.842,912 135.877,917 90.842,918 117.711,919 135.877,920 8.825,922 98.373,923 68.735,924 41.045,925 33.283,926 94.169,928 117.711,929 226.719,933 120.039,937 49.258,938 108.114,939 67.02,941 117.711,942 135.877,943 90.842,946 117.711,947 16.54,948 75.588,949 34.674,950 99.917,951 117.711,952 135.877,953 90.842,955 0.581,956 0.335,957 0.201,958 0.105,959 20,960 8,961 0.075,962 3,963 1,964 1.1,965 3.504,966 196.37,967 0.1,968 20,969 104.042,974 13.879,975 5.464,976 2.565,977 0.801,978 117.928,979 13.035,980 17.354,981 2.769,984 3.863,986 67.571,987 344.43,988 36.5,999 37.465,1000 42.232,1001 0.295,1002 0.712,1003 0.894,1004 0.965,1005 0.965,1006 0.965,1007 4.846,1008 1.386,1009 5.694,1010 4.258,1011 4.317,1012 4.99,1013 0.278,1014 6.526,1015 4.202,1016 6.08,1017 1.12,1018 7.253,1019 2.994,1020 3.892,1021 4.808,1023 7.438,1024 3.701,1025 7.399,1026 0.618,1027 8.914,1028 2.52,1029 5.916,1030 7.279,1031 0.05,1032 10.603,1033 5.678,1034 8.758,1035 0.522,1036 10.637,1037 1.401,1038 6.33,1039 7.966,1041 12.425,1042 6.014,1043 10.15,1044 -0.124,1045 12.404,1046 1.372,1047 7.819,1048 9.868,1049 0.008,1050 15.111,1051 7.455,1052 11.567,1053 -0.347,1054 14.202,1055 -0.353,1056 8.638,1057 10.988,1059 17.325,1060 8.201,1061 13.005,1062 -0.469,1063 16.025,1064 -0.891,1065 9.918,1066 12.656,1067 0.001,1068 19.858,1069 9.429,1070 3.282,1071 -0.76,1072 17.869,1073 -1.189,1074 10.932,1075 13.99,1077 22.23,1078 10.374,1079 2.7,1080 11.776,1081 19.729,1082 -1.947,1083 12.135,1084 15.564,1086 24.714,1087 11.522,1088 2.558,1089 8.163,1090 21.603,1091 4.633,1092 13.238,1093 17.001,1095 27.145,1096 12.559,1097 2.204,1098 7.486,1099 23.489,1100 3.798,1101 14.419,1102 18.54,1104 29.616,1105 13.682,1106 1.879,1107 6.59,1108 25.384,1109 3.498,1110 15.563,1111 20.025,1113 32.068,1114 14.763,1115 1.863,1116 5.507,1117 27.287,1118 3.047,1119 16.739,1120 21.553,1122 34.535,1123 15.88,1124 1.455,1125 4.963,1126 29.196,1127 2.565,1128 17.903,1129 23.061,1131 36.996,1132 16.982,1133 5007,1134 8533,1135 17.8,1136 25.33,1137 39.769,1138 38.949,1139 39.784,1140 39.253,1141 39.174,1142 54.886,1143 0.8,1144 114.06,1145 36.989,1146 5.493,1147 5.317,1148 6.624,1149 5.306,1150 5.282,1151 7.633,1152 0.8,1153 18.981,1154 5.031,1155 8.319,1156 1.53,1157 1.498,1158 1.53,1159 1.51,1160 1.507,1161 2.111,1162 0.031,1163 4.387,1164 1.423,1165 4.145,1166 4.195,1167 4.123,1168 3.986,1169 5.21,1170 4.014,1171 3.865,1172 3.938,1173 3.811,1174 3.658,1175 5.075,1176 3.684,1177 3.812,1178 3.869,1179 3.77,1180 3.646,1181 4.972,1182 3.672,1183 3.371,1184 3.428,1185 3.293,1186 3.229,1187 4.671,1188 3.24,1189 3.196,1190 3.294,1191 3.015,1192 3.009,1193 4.333,1194 2.997,1195 2.954,1196 3.041,1197 2.855,1198 2.778,1199 3.918,1200 2.781,1201 2.812,1202 2.911,1203 2.679,1204 2.518,1205 3.75,1206 2.552,1207 2.764,1208 2.876,1209 2.622,1210 2.466,1211 3.677,1212 2.496,1213 0.181,1214 0.128,1215 0.267,1216 0.162,1217 0.126,1218 4.697,1219 0.178,1220 3.317,1221 0.015,1222 6.943,1223 0.453,1224 4.223,1225 0.119,1226 3.282,1227 4.633,1228 0.4,1229 11.776,1230 3.088,1231 1.92,1232 1.879,1233 2.006,1234 2.081,1235 1.1,1236 2.06,1237 1.773,1238 1.728,1239 1.873,1240 1.948,1241 0.892,1242 1.929,1243 1.527,1244 1.476,1245 1.666,1246 1.731,1247 0.716,1248 1.703,1249 1.371,1250 1.3,1251 1.571,1252 1.686,1253 0.634,1254 1.65,1255 1.227,1256 1.14,1257 1.471,1258 1.464,1259 0.417,1260 1.496,1261 1.128,1262 1.048,1263 1.275,1264 1.39,1265 0.22,1266 1.367,1267 0.944,1268 0.881,1269 1.139,1270 1.178,1271 0.174,1272 1.171,1273 0.742,1274 0.659,1275 1.011,1276 1.045,1278 1.049,1279 3.97,1281 5.303,1282 3.045,1283 6.821,1284 5.352,1285 8.432,1286 7.424,1287 10.097,1289 1.809,1293 5.877,1296 3.204,1305 24.752,1306 56.843,1307 137.224,1308 172.385,1309 185.995,1310 185.995,1311 185.995,1312 23.617,1313 7.246,1314 109.81,1315 109.81,1316 22,1317 12.551,1318 4.459,1319 3.524,1320 31.482,1321 64,1322 64,1323 0.235,1324 153.09,1325 239.26,1326 365.299,1327 12471,1329 15.811,1330 0.687,1331 0.537,1332 15.811,1333 12.355,1334 11.204,1335 0.431,1336 0.272,1337 6.933,1338 10.676,1339 6.791,1340 5.653,1341 11.204,1342 7.06,1343 10.345,1344 0.28,1345 0.136,1346 10.345,1347 5.048,1348 8.482,1349 0.17,1350 0.068,1351 8.482,1352 3.378,1353 7.917,1354 0.11,1355 0.035,1356 7.917,1357 2.491,1358 5.828,1359 0.067,1360 0.017,1361 5.828,1362 1.513,1363 0.35,1364 70.634,1365 0.237,1366 21.949,1367 0.707,1368 126,1369 366.204,1370 141.375,1371 363.669,1372 517.61,1373 342,1374 150,1375 411.592,1376 165.848,1377 413.93,1378 606.15,1379 391,1380 5.234}
{0 CHEMBL2172627,1 1.549,2 7.875,3 2.318,4 5.374,5 90.192,6 8.241,7 0.778,8 3.821,9 3.968,10 3.482,11 3.275,12 5.013,13 3.306,14 4.289,15 4.48,16 3.838,17 3.617,18 5.464,19 3.641,20 4.401,21 4.625,22 3.796,23 3.652,24 5.509,25 3.66,26 4.366,27 4.563,28 3.82,29 3.696,30 5.503,31 3.691,32 4.452,33 4.655,34 3.857,35 3.742,36 5.551,37 3.733,38 4.534,39 4.757,40 3.879,41 3.771,42 5.666,43 3.75,44 4.562,45 4.817,46 3.689,47 3.717,48 5.606,49 3.665,50 4.412,51 4.668,52 3.333,53 3.544,54 5.415,55 3.437,56 0.121,57 0.707,58 6.843,59 2.497,60 7.2,61 3.397,62 0.267,63 1.041,64 12.813,65 3.952,66 18.401,67 5.725,68 0.388,69 1.081,70 15.793,71 3.927,72 26.117,73 5.872,74 0.323,75 1.093,76 14.01,77 4.562,78 21.225,79 6.413,80 0.313,81 1.162,82 15.565,83 4.822,84 19.141,85 6.983,86 0.443,87 1.207,88 17.904,89 5.413,90 29.589,91 7.85,92 0.429,93 1.131,94 20.394,95 5.327,96 32.317,97 8.175,98 0.356,99 0.92,100 17.362,101 5.08,102 30.308,103 7.581,104 6,105 38,106 0.271,107 0.677,108 0.846,109 0.882,110 0.882,111 0.882,112 3.23,113 0.821,114 -4.68,115 -4.6,116 -4.32,119 38.5,120 1,124 1,142 4,145 1,146 1,147 3,149 1,151 1,152 1,161 1,166 1,168 1,172 1,174 2,175 8,178 3,180 3,186 2,187 4,190 1,191 1,198 3,199 3,202 3,204 3,207 1,211 2,212 3,215 2,217 1,220 1,223 4,224 7,227 4,228 1,229 1,232 3,237 2,240 2,242 3,245 2,249 1,250 3,253 1,255 3,258 2,266 1,267 1,268 1,275 854,276 16.61,277 16.61,278 16.61,279 16.61,280 16.61,281 14.146,282 18.237,283 9.867,284 17.113,285 13.336,286 13.336,287 13.336,288 13.336,289 13.336,290 9.596,291 30.888,292 4.671,293 14.138,294 3.737,295 1.418,296 0.449,297 0.244,298 0.244,299 0.244,300 3.928,303 1,304 1,305 1,306 413,307 2.449,310 99.862,311 124.438,314 89.585,318 1.146,319 17.037,320 1,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 52.5,331 189,332 4.698,333 3.318,334 6.943,335 4.229,336 3.283,337 4.634,338 0.4,339 11.778,340 3.105,341 4.142,342 2.837,343 5.871,344 3.664,345 2.728,346 3.812,347 0.4,348 8.273,349 2.554,350 3.941,351 2.674,352 5.583,353 3.499,354 2.558,355 3.498,357 7.525,358 2.406,359 3.623,360 2.279,361 5.354,362 3.179,363 2.225,364 3.056,366 6.802,367 2.118,368 3.301,369 2.203,370 4.966,371 2.906,372 1.972,373 2.578,375 5.603,376 1.839,377 3.258,378 1.952,379 4.77,380 2.801,381 1.864,382 2.535,384 5.282,385 1.743,386 2.935,387 1.479,388 4.533,389 2.417,390 1.461,391 2.136,393 4.281,394 1.395,395 2.859,396 1.409,397 3.643,398 2.347,399 1.387,400 2.023,402 2.994,403 1.327,404 2.557,405 1.175,406 3.516,407 2.059,408 1.12,409 1.581,411 2.52,412 1.049,413 2.118,414 0.717,415 3.328,416 1.604,417 0.618,418 0.927,420 1.406,421 0.609,422 1.997,423 0.618,424 3,425 1.481,426 0.534,427 0.766,428 1.372,429 0.504,430 1.584,431 0.521,432 2.82,433 1.336,434 0.426,435 0.482,436 0.638,437 0.387,438 1.175,439 0.006,440 2.77,441 0.803,442 -0.124,443 -0.157,445 -0.353,446 -0.115,447 0.932,448 -0.131,449 2.534,450 0.557,451 -0.401,452 -0.505,454 -1.006,455 -0.383,456 0.75,457 -0.547,458 2.25,459 0.311,460 -0.622,461 -0.821,463 -1.65,464 -0.579,465 11.1,466 0.463,467 0.516,468 0.022,469 36.25,470 1.51,471 19,472 0.792,473 17.25,474 0.719,475 15.477,476 0.645,477 24.9,478 0.638,479 25.088,480 1.045,481 7.336,482 0.306,483 4.406,484 0.184,485 0.09,487 0.351,493 0.94,494 1.445,495 0.704,496 1.073,497 0.899,498 0.879,499 0.905,500 1.282,501 0.706,502 0.982,503 0.741,504 0.833,505 1.334,506 0.982,507 0.969,508 0.749,509 1.347,510 0.778,511 0.924,512 1.041,513 0.907,514 0.99,515 0.778,516 0.953,517 1.029,518 1.236,519 0.951,520 1.101,521 1.031,522 1.025,523 0.886,524 0.95,525 0.967,526 1.006,527 0.814,528 1.004,529 1.255,530 0.964,531 1.119,532 0.926,533 1.151,534 0.983,535 1.165,536 0.96,537 1.366,538 1.209,539 1.329,540 1.308,541 4.5,542 0.02,543 1.778,544 2.201,545 1.081,546 0.879,547 0.548,548 0.32,549 0.155,550 0.072,551 5879,552 16547,553 2.161,554 38.5,556 7,557 1,558 1,559 3,560 3,564 1.679,565 2.057,566 2.986,567 1.121,568 1,569 1,571 1,573 60.395,574 1.549,575 3.868,576 4.836,577 5.042,578 5.042,579 5.042,580 2.413,581 4.252,582 4.556,583 3.123,584 861.892,585 7.914,586 9932.2,587 1,588 1,590 1,591 206.131,592 1.281,593 4.532,594 0.167,595 0.01,596 0.047,597 0.061,598 0.029,599 0.023,600 0.014,601 0.01,602 0.008,603 0.008,604 0.377,605 0.17,606 1,607 0.681,608 111.103,609 -0.022,610 -0.231,611 0.059,612 -0.092,613 -0.123,614 -0.016,615 0.108,616 -0.17,617 0.162,618 -0.035,619 0.188,620 0.056,621 -0.209,622 0.081,623 -0.039,624 0.151,625 -0.263,626 0.101,627 0.051,628 0.063,629 -0.039,630 -0.025,631 0.125,632 -0.046,633 -0.053,634 -0.161,635 -0.064,636 -0.139,637 -0.106,638 -0.11,639 0.143,640 0.091,641 -0.038,642 -0.061,643 0.165,644 -0.083,645 -0.234,646 -0.012,647 -0.121,648 0.026,649 -0.106,650 -0.015,651 -0.225,652 -0.027,653 -0.373,654 -0.224,655 -0.318,656 -0.311,657 1.041,658 1.604,659 0.833,660 18.132,661 1.015,662 1.147,663 3.451,664 11.91,665 0.675,666 3.332,667 3.664,668 3.97,669 4.317,670 4.522,671 4.682,672 4.86,673 4.997,674 5.004,675 4.997,676 5.087,677 0.661,678 321.39,679 3.332,680 4.875,681 5.74,682 6.637,683 7.525,684 8.434,685 9.332,686 10.246,687 11.151,688 12.069,689 23.1,694 1,697 3,699 5,703 1,704 6,705 5,706 1,709 6,711 21,724 2,731 39,733 21,735 27,737 42,738 15,739 13,746 4,747 5,752 1,761 13,762 2,777 1,778 1,781 15,782 7,783 3,784 9,787 1,790 9,794 0.75,803 1,804 1,806 1,811 2,812 2,815 1,840 3,844 2,848 24,855 2,877 11.667,878 7.7,879 5.278,880 2.169,881 3.913,882 1.533,883 1.036,884 3.688,885 11.25,886 3.651,887 4.317,888 4.972,889 5.656,890 6.16,891 6.584,892 7.094,893 7.581,894 7.87,895 8.226,896 1,897 36,898 8.76,900 3.678,901 7.674,902 16.57,904 13.21,905 2.174,906 52.167,910 141.253,911 89.762,912 137.531,917 89.762,918 141.253,919 137.531,920 17.222,922 46.952,923 115.18,924 49.97,925 21.512,926 117.711,928 141.253,929 227.293,933 143.581,937 58.182,938 65.089,939 101.693,941 141.253,942 137.531,943 89.762,946 141.253,947 16.54,948 74.385,949 52.685,950 83.683,951 141.253,952 137.531,953 89.762,955 0.575,956 0.34,957 0.201,958 0.108,959 20,960 8,961 0.095,962 4,963 1,964 1.1,965 3.582,966 207.536,967 0.1,968 20,969 110.039,974 14.754,975 5.999,976 2.766,977 0.716,978 119.704,979 10.869,980 22,981 2.772,984 4.148,986 52.685,987 368.546,988 37.5,999 39.567,1000 44.73,1001 0.293,1002 0.732,1003 0.915,1004 0.954,1005 0.954,1006 0.954,1007 4.869,1008 1.387,1009 5.72,1010 4.281,1011 4.344,1012 5.004,1013 0.495,1014 6.553,1015 4.229,1016 6.096,1017 1.12,1018 7.28,1019 2.994,1020 3.892,1021 4.808,1023 7.469,1024 3.713,1025 7.413,1026 0.618,1027 8.941,1028 2.52,1029 5.943,1030 7.288,1031 0.097,1032 10.628,1033 5.71,1034 8.771,1035 0.534,1036 10.664,1037 1.406,1038 6.347,1039 7.974,1041 12.448,1042 6.05,1043 10.163,1044 0.426,1045 12.43,1046 1.372,1047 7.843,1048 9.876,1049 0.016,1050 15.129,1051 7.495,1052 11.581,1053 -0.124,1054 14.227,1055 0.638,1056 8.658,1057 10.995,1059 17.34,1060 8.248,1061 13.019,1062 -0.401,1063 16.049,1064 -0.353,1065 9.939,1066 12.663,1067 0.003,1068 19.869,1069 9.478,1070 3.283,1071 -0.622,1072 17.891,1073 -1.006,1074 10.95,1075 13.997,1077 22.238,1078 10.43,1079 2.728,1080 11.778,1081 19.75,1082 -1.65,1083 12.153,1084 15.57,1086 24.721,1087 11.581,1088 2.558,1089 8.273,1090 21.622,1091 4.634,1092 13.254,1093 17.006,1095 27.151,1096 12.625,1097 2.225,1098 7.525,1099 23.505,1100 3.812,1101 14.434,1102 18.545,1104 29.62,1105 13.751,1106 1.972,1107 6.802,1108 25.398,1109 3.498,1110 15.577,1111 20.029,1113 32.072,1114 14.839,1115 1.864,1116 5.603,1117 27.299,1118 3.056,1119 16.752,1120 21.557,1122 34.539,1123 15.96,1124 1.461,1125 5.282,1126 29.207,1127 2.578,1128 17.916,1129 23.064,1131 36.999,1132 17.068,1133 5598,1134 9549,1135 18.493,1136 26.336,1137 40.693,1138 40.338,1139 41.097,1140 40.378,1141 40.352,1142 56.055,1143 1.6,1144 116.947,1145 38.071,1146 5.494,1147 5.318,1148 6.624,1149 5.312,1150 5.283,1151 7.634,1152 0.8,1153 18.986,1154 5.044,1155 8.689,1156 1.507,1157 1.494,1158 1.522,1159 1.495,1160 1.495,1161 2.076,1162 0.059,1163 4.331,1164 1.41,1165 4.131,1166 4.187,1167 4.114,1168 3.946,1169 5.167,1170 3.981,1171 3.863,1172 3.937,1173 3.811,1174 3.65,1175 5.01,1176 3.68,1177 3.818,1178 3.878,1179 3.776,1180 3.644,1181 4.93,1182 3.669,1183 3.376,1184 3.456,1185 3.292,1186 3.223,1187 4.415,1188 3.233,1189 3.323,1190 3.408,1191 3.146,1192 3.092,1193 4.252,1194 3.088,1195 3.072,1196 3.163,1197 2.896,1198 2.879,1199 3.967,1200 2.867,1201 2.809,1202 2.914,1203 2.694,1204 2.581,1205 3.793,1206 2.595,1207 2.783,1208 2.871,1209 2.668,1210 2.479,1211 3.714,1212 2.519,1213 0.174,1214 0.123,1215 0.257,1216 0.157,1217 0.122,1218 4.698,1219 0.172,1220 3.318,1221 0.015,1222 6.943,1223 0.436,1224 4.229,1225 0.115,1226 3.283,1227 4.634,1228 0.4,1229 11.778,1230 3.105,1231 1.874,1232 1.827,1233 1.947,1234 2.071,1235 1.014,1236 2.035,1237 1.762,1238 1.713,1239 1.869,1240 1.952,1241 0.885,1242 1.928,1243 1.529,1244 1.477,1245 1.668,1246 1.737,1247 0.717,1248 1.709,1249 1.373,1250 1.3,1251 1.653,1252 1.686,1253 0.685,1254 1.652,1255 1.311,1256 1.211,1257 1.55,1258 1.598,1259 0.614,1260 1.618,1261 1.201,1262 1.112,1263 1.421,1264 1.43,1265 0.383,1266 1.444,1267 1.014,1268 0.934,1269 1.174,1270 1.254,1271 0.192,1272 1.252,1273 0.9,1274 0.832,1275 1.074,1276 1.127,1277 0.109,1278 1.12,1279 4.007,1281 5.333,1282 3.045,1283 6.849,1284 5.352,1285 8.459,1286 7.424,1287 10.124,1289 3.67,1296 6.247,1305 25.773,1306 60.395,1307 150.846,1308 188.621,1309 196.621,1310 196.621,1311 196.621,1312 24.645,1313 7.336,1314 108.71,1315 108.71,1316 22,1317 12.581,1318 4.459,1319 3.524,1320 33.461,1321 69,1322 74,1323 0.231,1324 159.884,1325 250.26,1326 381.877,1327 13996,1329 16.518,1330 0.688,1331 0.548,1332 16.518,1333 13.147,1334 11.742,1335 0.435,1336 0.274,1337 7.232,1338 11.104,1339 7.056,1340 5.901,1341 11.742,1342 7.388,1343 10.514,1344 0.277,1345 0.135,1346 10.514,1347 5.123,1348 8.922,1349 0.172,1350 0.067,1351 8.922,1352 3.477,1353 8.044,1354 0.109,1355 0.033,1356 8.044,1357 2.474,1358 6.224,1359 0.068,1360 0.017,1361 6.224,1362 1.552,1363 0.345,1364 74.585,1365 0.233,1366 22.796,1367 0.691,1368 130,1369 394.869,1370 147.457,1371 387.81,1372 552.45,1373 366,1374 155,1375 439.801,1376 173.651,1377 439.557,1378 644.03,1379 415,1380 5.943}
{0 CHEMBL2172628,1 1.549,2 7.227,3 1.97,4 3.882,5 79.684,6 8.598,7 0.84,8 3.698,9 3.835,10 3.399,11 3.186,12 4.916,13 3.22,14 4.153,15 4.326,16 3.752,17 3.524,18 5.358,19 3.554,20 4.266,21 4.485,22 3.681,23 3.53,24 5.392,25 3.541,26 4.193,27 4.385,28 3.673,29 3.541,30 5.346,31 3.54,32 4.252,33 4.452,34 3.708,35 3.56,36 5.384,37 3.563,38 4.298,39 4.511,40 3.691,41 3.581,42 5.463,43 3.569,44 4.278,45 4.512,46 3.44,47 3.502,48 5.368,49 3.443,50 4.111,51 4.371,52 2.992,53 3.251,54 5.093,55 3.124,56 0.11,57 0.633,58 5.241,59 2.224,60 6.127,61 2.717,62 0.216,63 0.943,64 9.648,65 3.481,66 14.678,67 4.517,68 0.358,69 0.968,70 12.876,71 3.483,72 23.847,73 4.594,74 0.275,75 0.936,76 10.8,77 3.824,78 17.443,79 4.948,80 0.261,81 0.976,82 11.897,83 3.949,84 16.819,85 5.263,86 0.349,87 0.995,88 12.991,89 4.184,90 23.341,91 5.541,92 0.312,93 0.901,94 13.666,95 4.331,96 24.136,97 5.851,98 0.238,99 0.685,100 12.755,101 4.32,102 21.927,103 6.12,104 2,105 35,106 0.278,107 0.675,108 0.835,109 0.888,110 0.888,111 0.888,112 3.149,113 0.806,114 -4.35,115 -4.29,116 -4.04,119 41.2,120 1,142 4,145 2,146 1,147 2,149 1,151 1,152 1,161 1,166 1,168 1,172 1,174 2,175 8,178 2,180 2,186 2,187 4,190 1,191 1,198 3,199 3,202 2,204 2,207 1,211 2,212 3,215 1,217 1,220 1,223 4,224 7,227 2,229 1,232 3,237 2,240 2,242 2,245 2,249 1,250 3,255 1,258 2,266 1,268 1,275 664,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 12.8,282 11.912,283 9.181,284 15.717,285 12.409,286 12.409,287 12.409,288 12.409,289 12.409,290 8.756,291 18.971,292 4.413,293 13.114,294 3.539,295 1.328,296 0.434,297 0.14,298 0.14,299 0.14,300 3.849,303 1,304 1,305 1,306 352,307 2.121,310 90.454,311 110.133,314 80.238,318 1.066,319 15.175,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48,331 159,332 4.693,333 3.311,334 6.94,335 4.223,336 3.277,337 4.631,338 0.4,339 11.763,340 3.098,341 4.02,342 2.702,343 5.82,344 3.53,345 2.589,346 3.659,348 7.967,349 2.437,350 3.939,351 2.649,352 5.517,353 3.499,354 2.557,355 3.496,357 7.411,358 2.406,359 3.569,360 2.249,361 5.154,362 3.111,363 2.159,364 2.993,366 6.201,367 2.049,368 3.26,369 1.962,370 4.882,371 2.803,372 1.864,373 2.559,375 5.412,376 1.747,377 2.968,378 1.522,379 4.508,380 2.458,381 1.494,382 2.181,384 4.262,385 1.438,386 2.859,387 1.416,388 3.644,389 2.348,390 1.39,391 2.023,393 2.997,394 1.327,395 2.653,396 1.21,397 3.536,398 2.13,399 1.182,400 1.725,402 2.616,403 1.118,404 2.552,405 1.15,406 3.454,407 2.043,408 1.108,409 1.574,411 2.493,412 1.033,413 2.118,414 0.618,415 3.311,416 1.604,417 0.618,418 0.927,420 1.372,421 0.609,422 1.993,423 0.524,424 3,425 1.458,426 0.517,427 0.757,428 1.371,429 0.486,430 1.175,431 0.006,432 2.76,433 0.803,434 -0.124,435 -0.157,436 -0.349,437 -0.115,438 0.931,439 -0.132,440 2.414,441 0.552,442 -0.405,443 -0.511,445 -0.909,446 -0.387,447 0.724,448 -0.611,449 2.244,450 0.278,451 -0.665,452 -0.879,454 -1.791,455 -0.625,456 0.631,457 -0.818,458 2,459 0.123,460 -0.838,461 -1.222,463 -2.074,464 -0.805,465 10.2,466 0.464,467 0.448,468 0.02,469 34.25,470 1.557,471 18.5,472 0.841,473 15.75,474 0.716,475 12.866,476 0.585,477 22.2,478 0.653,479 22.287,480 1.013,481 6.898,482 0.314,483 3.911,484 0.178,485 0.049,487 0.333,493 0.875,494 1.347,495 0.656,496 1.021,497 0.841,498 0.835,499 0.903,500 1.342,501 0.723,502 1.059,503 0.791,504 0.892,505 1.357,506 0.913,507 1.018,508 0.732,509 1.365,510 0.789,511 0.929,512 1.009,513 0.917,514 0.976,515 0.734,516 0.95,517 1.04,518 1.217,519 0.895,520 1.038,521 0.983,522 0.955,523 1.006,524 0.9,525 0.999,526 0.923,527 0.865,528 0.952,529 1.187,530 0.954,531 1.253,532 1.077,533 1.248,534 1.159,535 0.928,536 0.986,537 1.302,538 1.306,539 1.17,540 1.369,541 3.5,543 1.778,544 1.889,545 0.849,546 0.674,547 0.411,548 0.195,549 0.086,550 0.031,551 4797,552 13795,553 2.205,554 35.3,556 4,557 1,558 2,559 2,560 3,564 1.654,565 2.129,566 2.895,567 0.438,569 1,571 1,573 52.651,574 1.549,575 3.759,576 4.653,577 4.948,578 4.948,579 4.948,580 2.244,581 4.187,582 4.43,583 3.032,584 700.326,585 7.656,586 7595.22,587 1,588 1,590 1,591 172.974,592 1.143,593 4.418,594 0.14,596 0.051,597 0.059,598 0.027,599 0.02,600 0.013,601 0.008,602 0.006,603 0.008,604 0.332,605 0.5,606 1,607 0.405,608 98.588,609 0.013,610 -0.185,611 0.062,612 -0.086,613 -0.098,614 -0.018,615 0.078,616 -0.247,617 0.097,618 -0.14,619 0.109,620 -0.041,621 -0.224,622 0.13,623 -0.09,624 0.152,625 -0.298,626 0.077,627 0.041,628 0.055,629 -0.057,630 -0.037,631 0.138,632 -0.062,633 -0.057,634 -0.183,635 -0.003,636 -0.1,637 -0.052,638 -0.052,639 0.021,640 0.128,641 -0.08,642 0.007,643 0.114,644 -0.046,645 -0.226,646 0.007,647 -0.279,648 -0.105,649 -0.218,650 -0.185,651 -0.08,652 -0.127,653 -0.24,654 -0.258,655 -0.189,656 -0.279,657 1.024,658 1.569,659 0.909,660 15.727,661 1.017,662 1.142,663 3.122,664 9.746,665 0.693,666 3.258,667 3.584,668 3.892,669 4.234,670 4.431,671 4.564,672 4.736,673 4.868,674 4.836,675 4.804,676 4.807,677 0.683,678 292.34,679 3.258,680 4.796,681 5.659,682 6.553,683 7.439,684 8.344,685 9.242,686 10.152,687 11.056,688 11.97,689 23.5,697 3,699 5,703 1,704 7,705 5,706 1,709 5,711 21,724 1,731 34,733 21,735 25,737 37,738 14,739 13,746 4,747 5,752 1,761 13,762 1,777 1,778 1,781 12,782 6,783 2,784 8,787 1,790 8,794 0.75,803 1,804 1,806 1,811 2,812 2,815 1,840 3,844 1,848 22,855 1,877 10.333,878 6.533,879 4.778,880 1.901,881 3.866,882 1.541,883 1.051,884 3.057,885 11.013,886 3.597,887 4.263,888 4.918,889 5.599,890 6.099,891 6.497,892 7.014,893 7.497,894 7.757,895 8.095,896 0.8,897 32,898 8.023,900 3.397,901 7.682,902 15.163,904 12.187,905 2.182,906 48,910 117.711,911 88.085,912 119.52,917 88.085,918 117.711,919 119.52,920 8.825,922 46.952,923 108.94,924 59.017,925 19.184,926 82.398,928 117.711,929 207.605,933 120.039,937 67.23,938 54.365,939 83.683,941 117.711,942 119.52,943 88.085,946 117.711,947 14.213,948 75.036,949 34.674,950 83.683,951 117.711,952 119.52,953 88.085,955 0.576,956 0.337,957 0.199,958 0.106,959 19,960 7,961 0.081,962 3,963 1,964 1.1,965 3.464,966 183.75,967 0.1,968 20,969 98.107,974 12.924,975 5.205,976 2.352,977 0.729,978 101.693,979 12.566,980 21.639,981 2.764,984 3.522,986 34.674,987 325.316,988 35.5,999 34.582,1000 38.817,1001 0.304,1002 0.739,1003 0.915,1004 0.973,1005 0.973,1006 0.973,1007 4.806,1008 1.182,1009 5.631,1010 2.997,1011 4.263,1012 4.949,1013 0.278,1014 6.457,1015 4.152,1016 6.028,1017 1.108,1018 7.185,1019 2.616,1020 3.761,1021 4.691,1023 7.372,1024 3.586,1025 7.339,1026 0.618,1027 8.843,1028 2.493,1029 5.849,1030 7.228,1031 0.05,1032 10.543,1033 5.623,1034 8.693,1035 0.517,1036 10.568,1037 1.372,1038 6.236,1039 7.887,1041 12.39,1042 5.945,1043 10.082,1044 -0.124,1045 12.339,1046 1.371,1047 7.752,1048 9.817,1049 0.008,1050 15.072,1051 7.411,1052 11.499,1053 -0.405,1054 14.143,1055 -0.349,1056 8.564,1057 10.927,1059 17.301,1060 8.16,1061 12.938,1062 -0.665,1063 15.973,1064 -0.909,1065 9.856,1066 12.608,1067 0.001,1068 19.832,1069 9.4,1070 3.277,1071 -0.838,1072 17.823,1073 -1.791,1074 10.868,1075 13.94,1077 22.21,1078 10.353,1079 2.589,1080 11.763,1081 19.689,1082 -2.074,1083 12.078,1084 15.521,1086 24.695,1087 11.51,1088 2.557,1089 7.967,1090 21.568,1091 4.631,1092 13.182,1093 16.958,1095 27.128,1096 12.557,1097 2.159,1098 7.411,1099 23.458,1100 3.659,1101 14.366,1102 18.502,1104 29.598,1105 13.686,1106 1.864,1107 6.201,1108 25.357,1109 3.496,1110 15.512,1111 19.989,1113 32.051,1114 14.776,1115 1.494,1116 5.412,1117 27.263,1118 2.993,1119 16.691,1120 21.521,1122 34.517,1123 15.9,1124 1.39,1125 4.262,1126 29.175,1127 2.559,1128 17.857,1129 23.031,1131 36.978,1132 17.01,1133 4512,1134 7795,1135 17.394,1136 23.568,1137 38.009,1138 37.323,1139 37.931,1140 37.558,1141 37.512,1142 53.049,1143 0.8,1144 107.73,1145 35.494,1146 5.488,1147 5.311,1148 6.621,1149 5.305,1150 5.277,1151 7.631,1152 0.8,1153 18.95,1154 5.036,1155 5.763,1156 1.52,1157 1.493,1158 1.517,1159 1.502,1160 1.5,1161 2.122,1162 0.032,1163 4.309,1164 1.42,1165 4.128,1166 4.185,1167 4.111,1168 3.943,1169 5.167,1170 3.978,1171 3.863,1172 3.937,1173 3.81,1174 3.649,1175 5.011,1176 3.679,1177 3.789,1178 3.846,1179 3.741,1180 3.627,1181 4.931,1182 3.647,1183 3.358,1184 3.418,1185 3.28,1186 3.214,1187 4.412,1188 3.223,1189 3.143,1190 3.229,1191 2.953,1192 2.984,1193 3.98,1194 2.965,1195 2.834,1196 2.933,1197 2.755,1198 2.602,1199 3.926,1200 2.623,1201 2.784,1202 2.874,1203 2.668,1204 2.491,1205 3.789,1206 2.529,1207 2.545,1208 2.635,1209 2.471,1210 2.268,1211 3.706,1212 2.309,1213 0.188,1214 0.132,1215 0.278,1216 0.169,1217 0.131,1218 4.693,1219 0.185,1220 3.311,1221 0.016,1222 6.94,1223 0.471,1224 4.223,1225 0.124,1226 3.277,1227 4.631,1228 0.4,1229 11.763,1230 3.098,1231 1.87,1232 1.823,1233 1.947,1234 2.066,1235 1.004,1236 2.031,1237 1.753,1238 1.706,1239 1.863,1240 1.932,1241 0.87,1242 1.913,1243 1.524,1244 1.473,1245 1.665,1246 1.726,1247 0.716,1248 1.7,1249 1.367,1250 1.294,1251 1.569,1252 1.686,1253 0.635,1254 1.649,1255 1.22,1256 1.134,1257 1.458,1258 1.442,1259 0.417,1260 1.472,1261 1.08,1262 1.006,1263 1.208,1264 1.311,1265 0.206,1266 1.299,1267 0.918,1268 0.855,1269 1.084,1270 1.14,1271 0.11,1272 1.131,1273 0.552,1274 0.452,1275 0.838,1276 0.869,1278 0.873,1279 3.932,1281 5.252,1282 3.045,1283 6.765,1284 5.352,1285 8.371,1286 7.424,1287 10.029,1289 1.848,1296 3.185,1305 23.225,1306 52.651,1307 127.812,1308 158.219,1309 168.219,1310 168.219,1311 168.219,1312 20.958,1313 7.147,1314 96.68,1315 96.68,1316 22,1317 12.485,1318 4.459,1319 3.524,1320 29.571,1321 60,1322 59,1323 0.236,1324 143.497,1325 221.96,1326 341.894,1327 11078,1329 14.941,1330 0.679,1331 0.533,1332 14.941,1333 11.725,1334 10.81,1335 0.432,1336 0.269,1337 6.586,1338 10.248,1339 6.462,1340 5.375,1341 10.81,1342 6.717,1343 9.7,1344 0.277,1345 0.134,1346 9.7,1347 4.676,1348 8.244,1349 0.172,1350 0.066,1351 8.244,1352 3.159,1353 7.424,1354 0.109,1355 0.033,1356 7.424,1357 2.245,1358 5.711,1359 0.069,1360 0.017,1361 5.711,1362 1.383,1363 0.352,1364 68.483,1365 0.24,1366 21.16,1367 0.711,1368 120,1369 368.536,1370 135.681,1371 362.305,1372 515.74,1373 342,1374 143,1375 410.04,1376 159.986,1377 409.352,1378 599.1,1379 387,1380 5.52}
{0 CHEMBL2172629,1 1.671,2 8.692,3 1.63,4 2.656,5 93.08,6 8.522,7 0.724,8 3.871,9 4.009,10 3.551,11 3.328,12 5.103,13 3.367,14 4.337,15 4.514,16 3.921,17 3.664,18 5.595,19 3.698,20 4.473,21 4.681,22 3.859,23 3.694,24 5.669,25 3.718,26 4.421,27 4.612,28 3.92,29 3.747,30 5.642,31 3.754,32 4.504,33 4.691,34 3.955,35 3.801,36 5.691,37 3.813,38 4.604,39 4.815,40 4.016,41 3.849,42 5.828,43 3.847,44 4.627,45 4.846,46 3.825,47 3.807,48 5.795,49 3.775,50 4.546,51 4.796,52 3.637,53 3.655,54 5.715,55 3.587,56 0.149,57 0.736,58 6.554,59 2.67,60 7.629,61 3.374,62 0.325,63 1.084,64 12.461,65 4.305,66 21.102,67 5.913,68 0.541,69 1.132,70 16.364,71 3.979,72 46.42,73 5.224,74 0.391,75 1.142,76 14.297,77 4.987,78 27.958,79 6.769,80 0.405,81 1.229,82 15.068,83 4.845,84 28.618,85 6.399,86 0.522,87 1.292,88 18.483,89 6.025,90 36.045,91 8.352,92 0.564,93 1.234,94 19.41,95 5.546,96 46.241,97 7.562,98 0.537,99 1.034,100 20.247,101 6.066,102 46.449,103 8.952,104 12,105 41,106 0.288,107 0.675,108 0.817,109 0.885,110 0.885,111 0.885,112 3.305,113 0.811,114 -4.53,115 -4.46,116 -4.2,119 39,120 2,142 4,145 1,146 1,147 3,149 1,151 1,152 1,158 1,161 1,166 1,168 1,172 1,174 2,175 9,178 4,180 4,186 2,187 4,190 1,191 1,198 4,199 5,202 3,204 3,207 2,211 2,212 3,215 2,217 1,220 1,223 5,224 9,227 4,228 1,229 1,232 4,236 1,237 3,240 2,242 3,245 2,249 3,250 5,253 2,255 4,258 2,263 1,266 1,267 1,268 1,271 1,275 1076,276 17.602,277 17.602,278 17.602,279 17.602,280 17.602,281 14.93,282 18.752,283 10.518,284 18.043,285 14.409,286 14.409,287 14.409,288 14.409,289 14.409,290 10.396,291 30.647,292 5.087,293 15.152,294 3.686,295 1.446,296 0.622,297 0.232,298 0.232,299 0.232,300 4.001,303 1,304 1,305 1,306 490,307 3,310 110.235,311 140.123,314 99.855,318 1.254,319 24.48,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 57.5,331 226,332 4.698,333 3.535,334 6.943,335 4.23,336 3.284,337 4.634,338 1.907,339 11.779,340 3.105,341 4.156,342 3.315,343 5.879,344 3.694,345 2.754,346 3.819,347 0.4,348 8.336,349 2.587,350 3.941,351 2.8,352 5.601,353 3.499,354 2.558,355 3.498,356 0.149,357 7.554,358 2.406,359 3.675,360 2.672,361 5.392,362 3.288,363 2.316,364 3.075,366 6.968,367 2.248,368 3.522,369 2.261,370 5.017,371 3.098,372 2.133,373 2.783,375 5.855,376 2.05,377 3.26,378 2.139,379 4.855,380 2.804,381 1.864,382 2.559,384 5.421,385 1.751,386 3.15,387 1.947,388 4.536,389 2.71,390 1.728,391 2.339,393 4.422,394 1.677,395 2.927,396 1.475,397 4.335,398 2.406,399 1.452,400 2.118,402 4.186,403 1.384,404 2.859,405 1.408,406 3.643,407 2.347,408 1.386,409 2.023,411 2.994,412 1.327,413 2.557,414 1.175,415 3.515,416 2.058,417 1.12,418 1.581,420 2.52,421 1.048,422 2.118,423 0.622,424 3.327,425 1.604,426 0.618,427 0.927,428 1.402,429 0.609,430 1.996,431 0.618,432 3,433 1.467,434 0.523,435 0.762,436 1.372,437 0.493,438 1.198,439 0.523,440 2.777,441 0.803,442 -0.123,443 -0.156,445 -0.35,446 -0.114,447 1.166,448 0.027,449 2.67,450 0.801,451 -0.151,452 -0.185,454 -0.418,455 -0.143,456 0.917,457 0.006,458 2.529,459 0.538,460 -0.416,461 -0.52,463 -1.052,464 -0.397,465 11.933,466 0.459,467 0.661,468 0.025,469 39,470 1.5,471 20.5,472 0.788,473 18.5,474 0.712,475 17.468,476 0.672,477 27.067,478 0.66,479 28.459,480 1.095,481 7.864,482 0.302,483 4.733,484 0.182,485 0.112,487 0.369,493 0.831,494 1.424,495 0.676,496 1.068,497 0.654,498 0.869,499 0.697,500 1.353,501 0.65,502 1.073,503 0.546,504 0.886,505 1.555,506 0.931,507 1.134,508 0.69,509 1.53,510 0.789,511 0.695,512 1.045,513 0.768,514 0.963,515 0.469,516 0.891,517 1.095,518 1.21,519 1.006,520 1.062,521 0.982,522 1.014,523 0.718,524 0.953,525 0.831,526 0.982,527 0.582,528 0.938,529 1.291,530 1.069,531 1.287,532 1.077,533 1.284,534 1.159,535 0.787,536 0.953,537 1.041,538 1.095,539 0.762,540 1.117,541 5.5,542 0.071,543 1.778,544 2.451,545 1.081,546 1.046,547 0.628,548 0.405,549 0.267,550 0.14,551 7285,552 22680,553 2.124,554 36.6,556 4,557 1,558 1,559 3,560 6,564 1.7,565 2,566 3.111,567 1.088,568 1,569 1,571 1,573 68.527,574 1.671,575 3.912,576 4.735,577 5.126,578 5.126,579 5.126,580 2.507,581 4.133,582 4.67,583 3.264,584 1060.85,585 8.143,586 12955,587 1,588 1,590 1,591 219.66,592 1.37,593 4.637,594 0.19,595 0.009,596 0.043,597 0.065,598 0.026,599 0.025,600 0.014,601 0.012,602 0.01,603 0.009,604 0.402,605 0.17,606 1,607 0.902,608 124.423,609 -0.052,610 -0.212,611 0.047,612 -0.086,613 -0.101,614 -0.013,615 0.176,616 -0.241,617 0.19,618 -0.115,619 0.15,620 0.009,621 -0.396,622 0.132,623 -0.21,624 0.187,625 -0.379,626 0.058,627 0.149,628 0.042,629 0.096,630 0.015,631 0.199,632 0.036,633 -0.17,634 -0.109,635 -0.155,636 -0.12,637 -0.187,638 -0.13,639 0.191,640 0.082,641 0.093,642 -0.019,643 0.187,644 0.006,645 -0.272,646 -0.065,647 -0.34,648 -0.133,649 -0.256,650 -0.229,651 0.146,652 -0.056,653 0.002,654 -0.09,655 0.176,656 -0.074,657 1.875,658 4.388,659 0.769,660 21.615,661 1.022,662 1.145,663 3.302,664 10.901,665 0.678,666 3.401,667 3.738,668 4.007,669 4.369,670 4.564,671 4.754,672 4.92,673 5.1,674 5.094,675 5.136,676 5.5,677 0.67,678 349.4,679 3.401,680 4.949,681 5.802,682 6.701,683 7.579,684 8.489,685 9.381,686 10.297,687 11.196,688 12.115,689 22,696 1,697 3,699 5,703 1,704 6,705 5,706 1,709 6,711 21,724 1,731 41,733 22,735 29,737 44,738 16,739 13,746 4,747 5,752 2,761 14,762 2,766 1,771 1,775 1,777 1,778 1,781 15,782 8,783 3,784 10,787 1,790 9,794 0.75,795 1,803 1,804 1,806 1,811 2,812 2,815 1,826 1,840 3,844 2,848 26,855 2,870 2.4,873 1,877 13,878 8.117,879 5.611,880 2.273,881 4.027,882 1.537,883 1.023,884 4.168,885 11.525,886 3.726,887 4.382,888 4.992,889 5.687,890 6.188,891 6.63,892 7.136,893 7.646,894 7.925,895 8.31,896 0.833,897 38,898 9.505,900 4.024,901 7.84,902 17.723,904 14.093,905 2.34,906 60.833,910 141.253,911 94.895,912 137.531,914 25.145,917 94.895,918 166.398,919 137.531,920 17.65,921 18.011,922 46.952,923 127.019,924 49.97,925 21.512,926 117.711,928 141.253,929 232.426,930 25.145,933 143.581,934 25.145,937 85.018,938 61.398,939 83.683,941 141.253,942 162.676,943 94.895,946 141.253,947 21.245,948 74.814,949 52.685,950 108.828,951 141.253,952 162.676,953 94.895,955 0.579,956 0.322,957 0.194,958 0.103,959 21,960 9,961 0.091,962 4,963 1,964 1.1,965 3.734,966 229.804,967 0.1,968 20,969 122.211,974 16.332,975 6.634,976 3.34,977 0.651,978 144.849,979 10.49,980 21.764,981 2.747,984 3.302,986 52.685,987 398.825,988 40.5,993 11.388,997 -0.208,999 41.894,1000 46.94,1001 0.312,1002 0.73,1003 0.884,1004 0.957,1005 0.957,1006 0.957,1007 4.951,1008 1.452,1009 5.79,1010 4.422,1011 4.419,1012 5.069,1013 1.997,1014 6.613,1015 4.317,1016 6.18,1017 1.386,1018 7.344,1019 4.186,1020 4.007,1021 4.902,1022 1.593,1023 7.509,1024 3.859,1025 7.496,1026 1.12,1027 8.998,1028 2.994,1029 6.009,1030 7.33,1031 2.907,1032 10.664,1033 5.794,1034 8.849,1035 0.618,1036 10.714,1037 2.52,1038 6.415,1039 8.014,1040 3.032,1041 12.466,1042 6.147,1043 10.233,1044 0.523,1045 12.472,1046 1.402,1047 7.896,1048 9.9,1049 4.038,1050 15.148,1051 7.566,1052 11.643,1053 -0.123,1054 14.262,1055 1.372,1056 8.703,1057 11.014,1058 4.409,1059 17.35,1060 8.315,1061 13.073,1062 -0.151,1063 16.078,1064 -0.35,1065 9.979,1066 12.675,1067 5.25,1068 19.878,1069 9.533,1070 3.284,1071 -0.416,1072 17.915,1073 -0.418,1074 10.982,1075 14.006,1076 5.75,1077 22.244,1078 10.478,1079 2.754,1080 11.779,1081 19.769,1082 -1.052,1083 12.182,1084 15.577,1085 6.501,1086 24.726,1087 11.621,1088 2.558,1089 8.336,1090 21.638,1091 4.634,1092 13.278,1093 17.011,1094 7.068,1095 27.154,1096 12.659,1097 2.316,1098 7.554,1099 23.519,1100 3.819,1101 14.455,1102 18.549,1103 7.771,1104 29.623,1105 13.781,1106 2.133,1107 6.968,1108 25.41,1109 3.498,1110 15.595,1111 20.032,1112 8.374,1113 32.074,1114 14.864,1115 1.864,1116 5.855,1117 27.309,1118 3.075,1119 16.768,1120 21.56,1121 9.051,1122 34.54,1123 15.981,1124 1.728,1125 5.421,1126 29.215,1127 2.783,1128 17.929,1129 23.067,1130 9.674,1131 37,1132 17.087,1133 6990,1134 12481,1135 19.592,1136 27.79,1137 44.201,1138 44.177,1139 44.222,1140 43.489,1141 43.47,1142 60.236,1143 4.912,1144 125.617,1145 41.37,1146 5.497,1147 5.535,1148 6.624,1149 5.313,1150 5.284,1151 7.634,1152 3.306,1153 18.989,1154 5.046,1155 11.336,1156 1.524,1157 1.523,1158 1.525,1159 1.5,1160 1.499,1161 2.077,1162 0.169,1163 4.332,1164 1.427,1165 4.131,1166 4.188,1167 4.115,1168 3.946,1169 7.43,1170 3.982,1171 3.864,1172 3.937,1173 3.811,1174 3.652,1175 5.166,1176 3.682,1177 3.828,1178 3.883,1179 3.789,1180 3.647,1181 5.01,1182 3.674,1183 3.521,1184 3.57,1185 3.43,1186 3.297,1187 4.921,1188 3.319,1189 3.355,1190 3.416,1191 3.273,1192 3.204,1193 4.413,1194 3.212,1195 3.134,1196 3.22,1197 2.953,1198 2.969,1199 4.1,1200 2.954,1201 2.854,1202 2.954,1203 2.77,1204 2.612,1205 3.965,1206 2.635,1207 2.784,1208 2.878,1209 2.668,1210 2.5,1211 3.792,1212 2.534,1213 0.162,1214 0.122,1215 0.239,1216 0.146,1217 0.113,1218 4.698,1219 0.16,1220 3.535,1221 0.066,1222 6.943,1223 0.406,1224 4.23,1225 0.107,1226 3.284,1227 4.634,1228 1.907,1229 11.779,1230 3.105,1231 1.875,1232 1.828,1233 1.945,1234 2.071,1235 1.012,1236 2.035,1237 1.763,1238 1.716,1239 1.865,1240 1.955,1241 0.881,1242 1.928,1243 1.534,1244 1.484,1245 1.708,1246 1.751,1247 0.725,1248 1.725,1249 1.444,1250 1.39,1251 1.664,1252 1.689,1253 0.714,1254 1.681,1255 1.364,1256 1.289,1257 1.561,1258 1.682,1259 0.631,1260 1.648,1261 1.215,1262 1.129,1263 1.444,1264 1.438,1265 0.417,1266 1.463,1267 1.07,1268 0.995,1269 1.207,1270 1.31,1271 0.209,1272 1.3,1273 0.92,1274 0.855,1275 1.088,1276 1.149,1277 0.11,1278 1.139,1279 4.078,1281 5.407,1282 3.045,1283 6.915,1284 5.352,1285 8.515,1286 7.424,1287 10.172,1289 3.184,1296 5.841,1305 27.488,1306 68.527,1307 160.375,1308 194.15,1309 210.15,1310 210.15,1311 210.15,1312 32.942,1313 7.498,1314 125.78,1315 125.78,1316 22,1317 12.629,1318 4.524,1319 3.644,1320 37.625,1321 81,1322 88,1323 0.22,1324 170.545,1325 273.71,1326 407.89,1327 17314,1329 18.096,1330 0.696,1331 0.541,1332 18.096,1333 14.056,1334 12.597,1335 0.434,1336 0.27,1337 7.681,1338 11.897,1339 7.495,1340 6.248,1341 12.597,1342 7.842,1343 11.736,1344 0.286,1345 0.135,1346 11.736,1347 5.554,1348 9.149,1349 0.169,1350 0.065,1351 9.149,1352 3.525,1353 8.569,1354 0.11,1355 0.033,1356 8.569,1357 2.59,1358 6.398,1359 0.067,1360 0.017,1361 6.398,1362 1.568,1363 0.332,1364 80.148,1365 0.226,1366 24.522,1367 0.65,1368 140,1369 458.605,1370 160.337,1371 445.947,1372 622.21,1373 418,1374 165,1375 484.282,1376 185.313,1377 482.515,1378 703.55,1379 455,1380 7.328}
{0 CHEMBL2172630,1 1.557,2 10.172,3 2.297,4 5.278,5 104.484,6 8.76,7 0.818,8 3.957,9 4.095,10 3.668,11 3.432,12 5.192,13 3.475,14 4.409,15 4.581,16 4.023,17 3.772,18 5.642,19 3.809,20 4.545,21 4.762,22 3.973,23 3.803,24 5.696,25 3.821,26 4.492,27 4.687,28 3.984,29 3.829,30 5.65,31 3.832,32 4.567,33 4.76,34 4.052,35 3.889,36 5.722,37 3.9,38 4.665,39 4.875,40 4.12,41 3.956,42 5.839,43 3.957,44 4.7,45 4.921,46 3.993,47 3.944,48 5.829,49 3.92,50 4.643,51 4.882,52 3.822,53 3.83,54 5.727,55 3.772,56 0.149,57 0.83,58 6.45,59 2.748,60 7.899,61 3.265,62 0.314,63 1.23,64 11.856,65 4.329,66 19.777,67 5.453,68 0.507,69 1.288,70 16.335,71 4.425,72 33.64,73 5.61,74 0.382,75 1.264,76 14.413,77 5.228,78 23.815,79 6.752,80 0.402,81 1.365,82 15.245,83 5.166,84 24.753,85 6.562,86 0.507,87 1.463,88 18.287,89 6.199,90 31.85,91 8.191,92 0.51,93 1.444,94 19.266,95 6.014,96 36.128,97 7.793,98 0.48,99 1.282,100 19.828,101 6.589,102 35.555,103 9.028,104 2,105 46,106 0.262,107 0.622,108 0.816,109 0.885,110 0.901,111 0.901,112 3.409,113 0.796,114 -4.55,115 -4.48,116 -4.21,119 40.9,120 1,142 4,145 4,146 1,147 4,149 1,151 1,152 1,161 1,166 1,168 1,172 1,174 2,175 8,178 4,180 3,186 3,187 4,190 2,191 1,198 4,199 4,202 3,204 3,207 1,211 3,212 4,215 2,217 1,220 1,223 5,224 8,227 4,228 1,229 1,232 3,236 2,237 3,240 2,242 3,245 2,249 4,250 3,253 2,255 3,258 2,262 2,263 1,266 2,267 1,268 1,275 1421,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 16.955,282 21.399,283 12.18,284 20.785,285 16.409,286 16.409,287 16.409,288 16.409,289 16.409,290 11.673,291 38.388,292 5.909,293 17.432,294 3.903,295 1.765,296 0.608,297 0.199,298 0.108,299 0.108,300 4.123,303 1,304 1,305 1,306 661,307 2.55,310 123.531,311 244.584,314 112.584,318 1.501,319 22.37,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 63.5,331 295,332 4.698,333 3.319,334 6.943,335 4.23,336 3.284,337 4.634,338 0.4,339 11.779,340 3.105,341 4.169,342 2.91,343 5.885,344 3.711,345 2.777,346 3.829,347 0.4,348 8.389,349 2.591,350 3.941,351 2.679,352 5.633,353 3.499,354 2.558,355 3.499,357 7.62,358 2.406,359 3.885,360 2.588,361 5.462,362 3.422,363 2.487,364 3.437,366 7.269,367 2.323,368 3.606,369 2.254,370 5.222,371 3.145,372 2.192,373 3.045,375 6.483,376 2.083,377 3.277,378 2.063,379 4.94,380 2.841,381 1.903,382 2.572,384 5.538,385 1.784,386 3.256,387 1.943,388 4.717,389 2.799,390 1.864,391 2.527,393 5.188,394 1.738,395 2.942,396 1.494,397 4.532,398 2.425,399 1.469,400 2.144,402 4.279,403 1.402,404 2.859,405 1.431,406 3.644,407 2.348,408 1.395,409 2.023,411 3.021,412 1.327,413 2.839,414 1.398,415 3.587,416 2.326,417 1.377,418 1.989,420 2.992,421 1.302,422 2.557,423 1.174,424 3.514,425 2.058,426 1.12,427 1.581,428 2.52,429 1.048,430 2.5,431 1,432 3.327,433 1.916,434 1,435 1.5,436 2.136,437 0.914,438 2.118,439 0.618,440 3.247,441 1.604,442 0.618,443 0.927,445 1.403,446 0.609,447 1.996,448 0.533,449 3,450 1.468,451 0.523,452 0.763,454 1.372,455 0.493,456 1.295,457 0.153,458 2.87,459 0.92,465 13.4,466 0.462,467 0.585,468 0.02,469 46.25,470 1.595,471 25,472 0.862,473 21.25,474 0.733,475 18.418,476 0.635,477 29.2,478 0.664,479 33.363,480 1.15,481 9.251,482 0.319,483 5.009,484 0.173,485 0.037,487 0.328,493 0.954,494 1.432,495 0.654,496 1.04,497 0.869,498 0.83,499 0.92,500 1.326,501 0.742,502 1.064,503 0.801,504 0.902,505 1.375,506 0.909,507 1.063,508 0.745,509 1.405,510 0.815,511 0.849,512 1.034,513 0.857,514 0.995,515 0.643,516 0.941,517 1.09,518 1.158,519 0.949,520 1.013,521 1.089,522 0.962,523 0.836,524 0.944,525 0.855,526 0.934,527 0.711,528 0.906,529 1.251,530 1.027,531 1.203,532 1.04,533 1.286,534 1.097,535 0.919,536 0.982,537 1.143,538 1.169,539 1.012,540 1.2,541 5,542 0.054,543 1.778,544 2.389,545 1.072,546 0.941,547 0.708,548 0.436,549 0.242,550 0.118,551 10835,552 31914,553 2.215,554 34.1,556 4,557 1,558 4,559 3,560 3,564 1.726,565 2.148,566 3.309,567 1.028,568 1,569 1,573 68.499,574 1.557,575 3.695,576 4.851,577 5.26,578 5.351,579 5.351,580 2.748,581 4.513,582 4.827,583 3.466,584 1407.01,585 8.448,586 18619.6,588 1,590 1,591 240.215,592 1.091,593 4.82,594 0.152,595 0.003,596 0.039,597 0.056,598 0.024,599 0.02,600 0.014,601 0.01,602 0.007,603 0.005,604 0.329,605 0.17,606 0.88,607 0.335,608 145.072,609 -0.068,610 -0.264,611 0.054,612 -0.104,613 -0.125,614 -0.018,615 0.065,616 -0.22,617 0.068,618 -0.146,619 0.105,620 -0.06,621 -0.246,622 0.14,623 -0.139,624 0.14,625 -0.346,626 0.047,627 0.093,628 0.015,629 0.021,630 -0.03,631 0.218,632 -0.023,633 -0.105,634 -0.097,635 -0.081,636 -0.077,637 -0.166,638 -0.074,639 0.152,640 0.08,641 0.069,642 0.023,643 0.231,644 0.026,645 -0.247,646 -0.024,647 -0.257,648 -0.089,649 -0.267,650 -0.159,651 0.024,652 -0.049,653 -0.122,654 -0.163,655 -0.03,656 -0.173,657 1.084,658 1.64,659 0.897,660 26.897,661 1.02,662 1.143,663 3.321,664 11.031,665 0.695,666 3.526,667 3.85,668 4.143,669 4.489,670 4.7,671 4.852,672 5.043,673 5.236,674 5.293,675 5.375,676 6.154,677 0.688,678 385.44,679 3.526,680 5.069,681 5.927,682 6.817,683 7.695,684 8.597,685 9.486,686 10.394,687 11.291,688 12.204,689 25,697 4,699 7,703 1,704 9,705 7,706 1,709 7,711 27,724 2,731 44,733 27,735 33,737 48,738 18,739 17,746 5,747 6,752 1,761 17,762 1,777 1,778 1,781 15,782 9,783 3,784 11,787 1,790 11,794 0.8,802 1,803 1,804 1,806 1,811 2,812 3,815 1,840 4,844 1,848 29,855 2,877 13.5,878 8.35,879 6.278,880 2.426,881 4.925,882 1.618,883 1.053,884 4.408,885 12.894,886 3.861,887 4.516,888 5.147,889 5.819,890 6.333,891 6.713,892 7.232,893 7.756,894 8.089,895 8.501,896 0.857,897 43,898 10.576,900 4.489,901 7.701,902 19.914,904 15.973,905 2.201,906 63.833,910 141.253,911 110.836,912 171.102,917 110.836,918 141.253,919 171.102,920 8.825,922 46.952,923 166.053,924 95.123,925 23.84,926 82.398,928 141.253,929 281.938,933 143.581,937 103.335,938 59.021,939 117.254,941 141.253,942 171.102,943 110.836,946 141.253,947 18.868,948 93.131,949 52.685,950 117.254,951 141.253,952 171.102,953 110.836,955 0.575,956 0.331,957 0.196,958 0.105,959 24,960 9,961 0.104,962 5,963 1,964 1.077,965 4.109,966 270.559,967 0.077,968 26,969 138.881,974 17.377,975 7.357,976 3.546,977 0.681,978 153.275,979 15.601,980 30.548,981 2.777,984 4.319,986 52.685,987 423.191,988 46.5,999 44.887,1000 50.312,1001 0.285,1002 0.677,1003 0.889,1004 0.964,1005 0.98,1006 0.98,1007 5.074,1008 1.469,1009 5.894,1010 5.188,1011 4.533,1012 5.204,1013 0.495,1014 6.703,1015 4.413,1016 6.29,1017 1.395,1018 7.435,1019 4.279,1020 4.007,1021 4.913,1023 7.557,1024 3.825,1025 7.595,1026 1.377,1027 9.078,1028 3.021,1029 6.107,1030 7.455,1031 0.097,1032 10.723,1033 5.865,1034 8.939,1035 1.12,1036 10.784,1037 2.992,1038 6.447,1039 8.054,1041 12.504,1042 6.143,1043 10.316,1044 1,1045 12.535,1046 2.52,1047 7.977,1048 10.002,1049 0.016,1050 15.181,1051 7.616,1052 11.72,1053 0.618,1054 14.319,1055 2.136,1056 8.744,1057 11.056,1059 17.371,1060 8.325,1061 13.145,1062 0.523,1063 16.128,1064 1.403,1065 10.041,1066 12.748,1067 0.003,1068 19.895,1069 9.567,1070 3.284,1072 17.959,1073 1.372,1074 11.02,1075 14.04,1077 22.254,1078 10.49,1079 2.777,1080 11.779,1081 19.808,1083 12.227,1084 15.624,1086 24.734,1087 11.643,1088 2.558,1089 8.389,1090 21.671,1091 4.634,1092 13.31,1093 17.036,1095 27.159,1096 12.671,1097 2.487,1098 7.62,1099 23.547,1100 3.829,1101 14.487,1102 18.577,1104 29.627,1105 13.794,1106 2.192,1107 7.269,1108 25.434,1109 3.499,1110 15.619,1111 20.048,1113 32.077,1114 14.872,1115 1.903,1116 6.483,1117 27.329,1118 3.437,1119 16.791,1120 21.577,1122 34.542,1123 15.99,1124 1.864,1125 5.538,1126 29.231,1127 3.045,1128 17.948,1129 23.077,1131 37.002,1132 17.093,1133 9969,1134 17295,1135 23.057,1136 30.586,1137 49.832,1138 49.043,1139 49.41,1140 49.195,1141 49.132,1142 68.941,1143 1.6,1144 139.977,1145 46.254,1146 5.499,1147 5.319,1148 6.745,1149 5.314,1150 5.284,1151 7.634,1152 0.8,1153 18.989,1154 5.046,1155 6.765,1156 1.51,1157 1.486,1158 1.497,1159 1.491,1160 1.489,1161 2.089,1162 0.048,1163 4.242,1164 1.402,1165 4.133,1166 4.189,1167 4.116,1168 3.948,1169 5.171,1170 3.983,1171 3.875,1172 3.939,1173 3.836,1174 3.687,1175 5.029,1176 3.717,1177 3.862,1178 3.932,1179 3.809,1180 3.648,1181 5.007,1182 3.679,1183 3.737,1184 3.794,1185 3.691,1186 3.568,1187 4.893,1188 3.591,1189 3.359,1190 3.418,1191 3.283,1192 3.215,1193 4.413,1194 3.225,1195 3.188,1196 3.275,1197 3.034,1198 3.012,1199 4.146,1200 3.004,1201 2.957,1202 3.04,1203 2.86,1204 2.776,1205 3.979,1206 2.78,1207 2.795,1208 2.897,1209 2.681,1210 2.588,1211 3.956,1212 2.602,1213 0.142,1214 0.101,1215 0.21,1216 0.128,1217 0.1,1218 4.698,1219 0.14,1220 3.319,1221 0.012,1222 6.943,1223 0.357,1224 4.23,1225 0.094,1226 3.284,1227 4.634,1228 0.4,1229 11.779,1230 3.105,1231 1.879,1232 1.832,1233 1.948,1234 2.074,1235 1.013,1236 2.039,1237 1.781,1238 1.73,1239 1.877,1240 1.983,1241 0.884,1242 1.954,1243 1.691,1244 1.64,1245 1.799,1246 1.881,1247 0.743,1248 1.86,1249 1.522,1250 1.471,1251 1.665,1252 1.725,1253 0.715,1254 1.698,1255 1.367,1256 1.294,1257 1.564,1258 1.686,1259 0.632,1260 1.649,1261 1.224,1262 1.138,1263 1.452,1264 1.448,1265 0.425,1266 1.477,1267 1.113,1268 1.04,1269 1.237,1270 1.356,1271 0.241,1272 1.331,1273 0.942,1274 0.877,1275 1.125,1276 1.169,1277 0.158,1278 1.159,1279 4.205,1281 5.525,1282 3.045,1283 7.034,1284 5.352,1285 8.634,1286 7.424,1287 10.285,1289 1.822,1296 6.359,1305 30.289,1306 68.499,1307 162.566,1308 213.46,1309 231.46,1310 235.46,1311 235.46,1312 30.441,1313 7.969,1314 134.49,1315 134.49,1316 28,1317 12.72,1318 4.807,1319 3.858,1320 39.295,1321 103,1322 118,1323 0.18,1324 186.074,1325 292.98,1326 445.781,1327 33296,1329 19.631,1330 0.677,1331 0.527,1332 19.631,1333 15.274,1334 14.259,1335 0.432,1336 0.265,1337 8.578,1338 13.499,1339 8.436,1340 7.011,1341 14.259,1342 8.758,1343 12.846,1344 0.279,1345 0.132,1346 12.846,1347 6.088,1348 10.736,1349 0.173,1350 0.065,1351 10.736,1352 4.04,1353 9.797,1354 0.111,1355 0.033,1356 9.797,1357 2.905,1358 7.602,1359 0.07,1360 0.017,1361 7.602,1362 1.8,1363 0.276,1364 90.496,1365 0.208,1366 27.157,1367 0.517,1368 158,1369 494.159,1370 179.287,1371 485.525,1372 688.26,1373 458,1374 187,1375 543.223,1376 209.564,1377 543.429,1378 793.39,1379 513,1380 6.914}
{0 CHEMBL2172631,1 1.538,2 10.172,3 2.909,4 8.462,5 106.327,6 8.543,7 0.818,8 3.969,9 4.105,10 3.662,11 3.468,12 5.183,13 3.498,14 4.424,15 4.593,16 4.016,17 3.814,18 5.628,19 3.836,20 4.578,21 4.793,22 3.971,23 3.851,24 5.695,25 3.851,26 4.54,27 4.745,28 3.981,29 3.864,30 5.659,31 3.856,32 4.583,33 4.776,34 4.049,35 3.919,36 5.724,37 3.921,38 4.686,39 4.897,40 4.114,41 3.991,42 5.833,43 3.981,44 4.72,45 4.937,46 3.99,47 3.983,48 5.829,49 3.947,50 4.68,51 4.924,52 3.81,53 3.875,54 5.716,55 3.805,56 0.128,57 0.829,58 7.025,59 2.983,60 7.983,61 3.622,62 0.258,63 1.246,64 12.607,65 4.754,66 18.494,67 6.079,68 0.449,69 1.335,70 17.53,71 5.056,72 30.949,73 6.587,74 0.363,75 1.302,76 16.53,77 5.735,78 24.873,79 7.626,80 0.368,81 1.391,82 16.204,83 5.504,84 24.356,85 7.084,86 0.463,87 1.498,88 19.484,89 6.655,90 31.063,91 8.889,92 0.434,93 1.49,94 20.168,95 6.546,96 34.473,97 8.603,98 0.412,99 1.338,100 21.68,101 7.14,102 34.345,103 9.918,104 2,105 46,106 0.258,107 0.623,108 0.812,109 0.895,110 0.903,111 0.903,112 3.409,113 0.809,114 -4.7,115 -4.61,116 -4.34,119 42.2,120 1,142 6,144 1,145 3,146 1,147 3,149 1,151 1,152 1,161 1,166 1,168 1,172 2,174 2,175 9,178 3,180 4,186 2,187 5,190 2,191 1,192 1,198 3,199 4,202 3,204 3,207 2,211 3,212 5,215 2,217 1,220 2,223 4,224 8,227 4,228 1,229 1,232 4,236 1,237 5,240 2,242 3,245 3,249 2,250 6,253 1,255 4,258 2,262 2,263 2,266 2,267 1,268 2,271 1,275 1421,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 16.955,282 21.399,283 12.18,284 20.715,285 16.409,286 16.409,287 16.409,288 16.409,289 16.409,290 11.673,291 38.388,292 5.909,293 17.32,294 3.954,295 1.772,296 0.645,297 0.15,298 0.106,299 0.106,300 4.123,303 1,304 1,305 1,306 661,307 2.55,310 123.531,311 244.584,314 112.584,318 1.501,319 20.491,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 63,331 295,332 4.698,333 3.319,334 6.943,335 4.23,336 3.284,337 4.634,338 0.4,339 11.779,340 3.105,341 4.169,342 2.91,343 5.885,344 3.716,345 2.777,346 3.829,347 0.4,348 8.389,349 2.606,350 3.941,351 2.679,352 5.633,353 3.499,354 2.558,355 3.499,357 7.62,358 2.406,359 3.885,360 2.588,361 5.462,362 3.445,363 2.487,364 3.437,366 7.269,367 2.38,368 3.606,369 2.254,370 5.222,371 3.147,372 2.192,373 3.045,375 6.483,376 2.09,377 3.277,378 2.063,379 4.94,380 2.846,381 1.903,382 2.572,384 5.538,385 1.792,386 3.256,387 1.943,388 4.717,389 2.8,390 1.864,391 2.527,393 5.188,394 1.74,395 2.942,396 1.494,397 4.532,398 2.427,399 1.469,400 2.144,402 4.279,403 1.405,404 2.859,405 1.431,406 3.644,407 2.348,408 1.395,409 2.023,411 3.021,412 1.327,413 2.839,414 1.398,415 3.587,416 2.335,417 1.377,418 1.989,420 2.992,421 1.316,422 2.557,423 1.174,424 3.514,425 2.058,426 1.12,427 1.581,428 2.52,429 1.048,430 2.5,431 1,432 3.327,433 1.956,434 1,435 1.5,436 2.136,437 0.953,438 2.118,439 0.618,440 3.247,441 1.604,442 0.618,443 0.927,445 1.403,446 0.609,447 1.996,448 0.533,449 3,450 1.468,451 0.523,452 0.763,454 1.372,455 0.493,456 1.295,457 0.153,458 2.87,459 0.93,465 13.5,466 0.466,467 0.585,468 0.02,469 45.75,470 1.578,471 25,472 0.862,473 20.75,474 0.716,475 18.699,476 0.645,477 29.1,478 0.647,479 33.083,480 1.141,481 9.171,482 0.316,483 5.088,484 0.175,485 0.037,487 0.326,493 0.93,494 1.347,495 0.672,496 0.999,497 0.871,498 0.825,499 0.901,500 1.334,501 0.756,502 1.081,503 0.784,504 0.926,505 1.346,506 0.959,507 1.055,508 0.816,509 1.369,510 0.865,511 0.901,512 1.014,513 0.854,514 0.94,515 0.699,516 0.898,517 1.108,518 1.126,519 0.962,520 0.993,521 1.12,522 0.956,523 0.856,524 0.935,525 0.861,526 0.916,527 0.727,528 0.894,529 1.249,530 1.08,531 1.2,532 1.086,533 1.27,534 1.124,535 1.009,536 1.023,537 1.126,538 1.121,539 1.044,540 1.142,541 5,542 0.054,543 1.778,544 2.389,545 1.072,546 0.941,547 0.708,548 0.436,549 0.242,550 0.118,551 10835,552 30574,553 2.215,554 35.6,556 6,557 1,558 3,559 3,560 3,564 1.726,565 2.148,566 3.309,567 0.994,568 1,569 1,573 69.203,574 1.538,575 3.72,576 4.847,577 5.342,578 5.386,579 5.386,580 2.748,581 4.513,582 4.827,583 3.466,584 1407.01,585 8.448,586 18619.6,588 1,590 1,591 247.133,592 1.091,593 4.82,594 0.152,595 0.003,596 0.039,597 0.056,598 0.024,599 0.02,600 0.014,601 0.01,602 0.007,603 0.005,604 0.329,605 0.17,606 0.88,607 0.335,608 145.072,609 -0.028,610 -0.187,611 0.056,612 -0.067,613 -0.115,614 -0.004,615 0.085,616 -0.229,617 0.062,618 -0.158,619 0.116,620 -0.074,621 -0.206,622 0.094,623 -0.123,624 0.08,625 -0.315,626 0.011,627 0.081,628 0.017,629 0.061,630 0.018,631 0.208,632 0.032,633 -0.081,634 -0.056,635 -0.087,636 -0.069,637 -0.163,638 -0.077,639 0.154,640 0.092,641 0.068,642 0.035,643 0.232,644 0.034,645 -0.238,646 -0.067,647 -0.262,648 -0.138,649 -0.244,650 -0.192,651 -0.068,652 -0.095,653 -0.102,654 -0.117,655 -0.065,656 -0.116,657 1.068,658 1.652,659 0.897,660 26.897,661 1.015,662 1.138,663 3.465,664 12.007,665 0.696,666 3.526,667 3.85,668 4.143,669 4.489,670 4.7,671 4.852,672 5.043,673 5.236,674 5.293,675 5.375,676 6.154,677 0.684,678 384.45,679 3.526,680 5.069,681 5.927,682 6.817,683 7.695,684 8.597,685 9.486,686 10.394,687 11.291,688 12.204,689 22.2,697 4,699 6,703 1,704 10,705 6,706 1,709 7,711 27,724 2,731 45,733 27,735 33,737 49,738 19,739 18,746 5,747 6,752 1,761 18,762 1,777 1,778 1,781 16,782 8,783 3,784 10,787 1,790 10,794 0.8,803 1,804 1,805 1,806 1,811 2,812 3,815 1,840 4,844 1,848 29,855 2,877 13.5,878 8.483,879 6.278,880 2.504,881 4.925,882 1.618,883 1.056,884 4.446,885 12.894,886 3.861,887 4.516,888 5.147,889 5.819,890 6.333,891 6.713,892 7.232,893 7.756,894 8.089,895 8.501,896 0.857,897 43,898 10.589,900 4.496,901 7.667,902 20.044,904 16.165,905 2.167,906 62.833,909 1,910 153.024,911 121.17,912 154.317,917 121.17,918 153.024,919 154.317,920 8.825,922 65.905,923 137.497,924 88.832,925 21.512,926 105.94,928 153.024,929 275.486,933 155.352,937 94.288,938 78.402,939 100.468,941 153.024,942 154.317,943 121.17,946 153.024,947 19.297,948 103.036,949 52.685,950 100.468,951 153.024,952 154.317,953 121.17,955 0.575,956 0.331,957 0.196,958 0.105,959 24,960 9,961 0.102,962 5,963 1,964 1.077,965 4.109,966 270.559,967 0.077,968 26,969 140.881,974 17.437,975 7.395,976 3.568,977 0.693,978 136.49,979 18.078,980 26.479,981 2.784,984 4.733,986 52.685,987 428.511,988 46.5,999 45.669,1000 51.229,1001 0.28,1002 0.677,1003 0.883,1004 0.973,1005 0.981,1006 0.981,1007 5.074,1008 1.469,1009 5.894,1010 5.188,1011 4.533,1012 5.204,1013 0.495,1014 6.703,1015 4.424,1016 6.29,1017 1.395,1018 7.435,1019 4.279,1020 4.007,1021 4.913,1023 7.557,1024 3.836,1025 7.595,1026 1.377,1027 9.078,1028 3.021,1029 6.107,1030 7.455,1031 0.097,1032 10.723,1033 5.885,1034 8.939,1035 1.12,1036 10.784,1037 2.992,1038 6.447,1039 8.054,1041 12.504,1042 6.16,1043 10.316,1044 1,1045 12.535,1046 2.52,1047 7.977,1048 10.002,1049 0.016,1050 15.181,1051 7.641,1052 11.72,1053 0.618,1054 14.319,1055 2.136,1056 8.744,1057 11.056,1059 17.371,1060 8.344,1061 13.145,1062 0.523,1063 16.128,1064 1.403,1065 10.041,1066 12.748,1067 0.003,1068 19.895,1069 9.591,1070 3.284,1072 17.959,1073 1.372,1074 11.02,1075 14.04,1077 22.254,1078 10.509,1079 2.777,1080 11.779,1081 19.808,1083 12.227,1084 15.624,1086 24.734,1087 11.664,1088 2.558,1089 8.389,1090 21.671,1091 4.634,1092 13.31,1093 17.036,1095 27.159,1096 12.687,1097 2.487,1098 7.62,1099 23.547,1100 3.829,1101 14.487,1102 18.577,1104 29.627,1105 13.811,1106 2.192,1107 7.269,1108 25.434,1109 3.499,1110 15.619,1111 20.048,1113 32.077,1114 14.886,1115 1.903,1116 6.483,1117 27.329,1118 3.437,1119 16.791,1120 21.577,1122 34.542,1123 16.003,1124 1.864,1125 5.538,1126 29.231,1127 3.045,1128 17.948,1129 23.077,1131 37.002,1132 17.103,1133 9969,1134 16931,1135 23.057,1136 31.341,1137 49.832,1138 49.043,1139 49.41,1140 49.201,1141 49.132,1142 68.941,1143 1.6,1144 139.977,1145 46.541,1146 5.499,1147 5.319,1148 6.745,1149 5.314,1150 5.284,1151 7.634,1152 0.8,1153 18.989,1154 5.048,1155 6.765,1156 1.51,1157 1.486,1158 1.497,1159 1.491,1160 1.489,1161 2.089,1162 0.048,1163 4.242,1164 1.41,1165 4.133,1166 4.189,1167 4.116,1168 3.95,1169 5.169,1170 3.984,1171 3.896,1172 3.948,1173 3.848,1174 3.756,1175 5.011,1176 3.771,1177 3.863,1178 3.936,1179 3.81,1180 3.649,1181 4.965,1182 3.679,1183 3.752,1184 3.804,1185 3.703,1186 3.607,1187 4.859,1188 3.625,1189 3.359,1190 3.418,1191 3.283,1192 3.215,1193 4.413,1194 3.225,1195 3.189,1196 3.275,1197 3.034,1198 3.012,1199 4.122,1200 3.004,1201 2.958,1202 3.04,1203 2.86,1204 2.776,1205 3.966,1206 2.78,1207 2.797,1208 2.897,1209 2.681,1210 2.59,1211 3.804,1212 2.604,1213 0.142,1214 0.101,1215 0.21,1216 0.128,1217 0.1,1218 4.698,1219 0.14,1220 3.319,1221 0.012,1222 6.943,1223 0.357,1224 4.23,1225 0.094,1226 3.284,1227 4.634,1228 0.4,1229 11.779,1230 3.105,1231 1.888,1232 1.843,1233 1.967,1234 2.076,1235 1.022,1236 2.042,1237 1.819,1238 1.773,1239 1.919,1240 1.992,1241 0.945,1242 1.973,1243 1.73,1244 1.686,1245 1.837,1246 1.891,1247 0.86,1248 1.878,1249 1.523,1250 1.472,1251 1.665,1252 1.725,1253 0.716,1254 1.699,1255 1.367,1256 1.294,1257 1.565,1258 1.686,1259 0.635,1260 1.649,1261 1.224,1262 1.139,1263 1.452,1264 1.448,1265 0.428,1266 1.477,1267 1.113,1268 1.04,1269 1.237,1270 1.356,1271 0.241,1272 1.331,1273 0.942,1274 0.877,1275 1.125,1276 1.169,1277 0.158,1278 1.16,1279 4.205,1281 5.525,1282 3.045,1283 7.034,1284 5.352,1285 8.634,1286 7.424,1287 10.285,1289 1.843,1296 6.483,1305 30.794,1306 69.203,1307 167.385,1308 218.114,1309 240.379,1310 242.379,1311 242.379,1312 30.686,1313 7.969,1314 121.6,1315 121.6,1316 28,1317 12.72,1318 4.807,1319 3.858,1320 39.295,1321 103,1322 118,1323 0.18,1324 188.872,1325 299.28,1326 452.608,1327 33296,1329 19.631,1330 0.677,1331 0.531,1332 19.631,1333 15.404,1334 14.259,1335 0.432,1336 0.27,1337 8.734,1338 13.567,1339 8.576,1340 7.135,1341 14.259,1342 8.898,1343 12.846,1344 0.279,1345 0.136,1346 12.846,1347 6.239,1348 10.736,1349 0.173,1350 0.067,1351 10.736,1352 4.155,1353 9.797,1354 0.111,1355 0.034,1356 9.797,1357 2.995,1358 7.602,1359 0.07,1360 0.017,1361 7.602,1362 1.862,1363 0.276,1364 90.042,1365 0.208,1366 27.157,1367 0.517,1368 158,1369 474.514,1370 177.511,1371 468.477,1372 665.94,1373 442,1374 187,1375 526.758,1376 207.843,1377 528.381,1378 771.41,1379 499,1380 5.943}
{0 CHEMBL2172632,1 1.557,2 10.172,3 2.981,4 8.884,5 106.504,6 8.76,7 0.818,8 3.958,9 4.096,10 3.669,11 3.437,12 5.198,13 3.477,14 4.406,15 4.574,16 4.023,17 3.778,18 5.635,19 3.812,20 4.555,21 4.774,22 3.973,23 3.803,24 5.696,25 3.821,26 4.495,27 4.693,28 3.985,29 3.822,30 5.657,31 3.829,32 4.558,33 4.748,34 4.051,35 3.886,36 5.719,37 3.899,38 4.665,39 4.875,40 4.12,41 3.956,42 5.839,43 3.957,44 4.7,45 4.921,46 3.993,47 3.944,48 5.829,49 3.92,50 4.643,51 4.882,52 3.822,53 3.83,54 5.727,55 3.772,56 0.164,57 0.83,58 6.478,59 2.803,60 8.899,61 3.324,62 0.295,63 1.229,64 11.641,65 4.476,66 18.194,67 5.659,68 0.499,69 1.292,70 16.724,71 4.469,72 33.267,73 5.732,74 0.401,75 1.264,76 14.628,77 5.08,78 25.398,79 6.546,80 0.396,81 1.361,82 14.829,83 5.067,84 24.126,85 6.381,86 0.507,87 1.463,88 18.287,89 6.199,90 31.85,91 8.191,92 0.51,93 1.444,94 19.266,95 6.014,96 36.128,97 7.793,98 0.48,99 1.282,100 19.828,101 6.589,102 35.555,103 9.028,104 2,105 46,106 0.262,107 0.635,108 0.811,109 0.885,110 0.901,111 0.901,112 3.409,113 0.798,114 -5.36,115 -5.25,116 -4.9,119 40.9,120 1,142 6,145 2,146 1,147 4,149 1,151 1,152 1,161 1,166 2,168 1,172 2,174 2,175 10,178 4,180 4,186 2,187 6,190 2,191 1,192 1,198 4,199 5,202 3,204 3,207 2,211 3,212 5,215 2,217 1,220 2,223 5,224 9,227 4,228 1,229 1,232 4,236 2,237 5,240 2,242 3,245 3,249 4,250 6,253 2,255 4,258 2,262 2,263 3,266 2,267 1,268 2,271 1,275 1421,276 20.17,277 20.17,278 20.17,279 20.17,280 20.17,281 16.955,282 21.399,283 12.18,284 20.727,285 16.409,286 16.409,287 16.409,288 16.409,289 16.409,290 11.673,291 38.388,292 5.909,293 17.337,294 3.903,295 1.689,296 0.642,297 0.199,298 0.108,299 0.108,300 4.123,303 1,304 1,305 1,306 661,307 2.55,310 123.531,311 244.584,314 112.584,318 1.501,319 21.62,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 63.5,331 295,332 4.698,333 3.319,334 6.943,335 4.23,336 3.284,337 4.634,338 0.4,339 11.779,340 3.105,341 4.169,342 2.91,343 5.885,344 3.712,345 2.777,346 3.829,347 0.4,348 8.389,349 2.596,350 3.941,351 2.679,352 5.633,353 3.499,354 2.558,355 3.499,357 7.62,358 2.406,359 3.885,360 2.588,361 5.462,362 3.433,363 2.487,364 3.437,366 7.269,367 2.351,368 3.606,369 2.254,370 5.222,371 3.147,372 2.192,373 3.045,375 6.483,376 2.089,377 3.277,378 2.063,379 4.94,380 2.847,381 1.903,382 2.572,384 5.538,385 1.794,386 3.256,387 1.943,388 4.717,389 2.8,390 1.864,391 2.527,393 5.188,394 1.74,395 2.942,396 1.494,397 4.532,398 2.427,399 1.469,400 2.144,402 4.279,403 1.405,404 2.859,405 1.431,406 3.644,407 2.348,408 1.395,409 2.023,411 3.021,412 1.327,413 2.839,414 1.398,415 3.587,416 2.332,417 1.377,418 1.989,420 2.992,421 1.31,422 2.557,423 1.174,424 3.514,425 2.058,426 1.12,427 1.581,428 2.52,429 1.048,430 2.5,431 1,432 3.327,433 1.983,434 1,435 1.5,436 2.136,437 0.982,438 2.118,439 0.618,440 3.247,441 1.604,442 0.618,443 0.927,445 1.403,446 0.609,447 1.996,448 0.533,449 3,450 1.468,451 0.523,452 0.763,454 1.372,455 0.493,456 1.295,457 0.153,458 2.87,459 0.931,465 13.4,466 0.462,467 0.585,468 0.02,469 45.75,470 1.578,471 25,472 0.862,473 20.75,474 0.716,475 18.575,476 0.641,477 29.2,478 0.664,479 33.206,480 1.145,481 9.205,482 0.317,483 5.055,484 0.174,485 0.037,487 0.328,493 0.881,494 1.319,495 0.651,496 1.001,497 0.827,498 0.818,499 0.84,500 1.357,501 0.723,502 1.121,503 0.723,504 0.94,505 1.399,506 0.96,507 1.053,508 0.758,509 1.412,510 0.813,511 0.921,512 1.006,513 0.875,514 0.943,515 0.714,516 0.907,517 1.103,518 1.171,519 0.96,520 1.025,521 1.101,522 0.972,523 0.836,524 0.944,525 0.855,526 0.934,527 0.711,528 0.906,529 1.251,530 1.027,531 1.203,532 1.04,533 1.286,534 1.097,535 0.919,536 0.982,537 1.143,538 1.169,539 1.012,540 1.2,541 5,542 0.054,543 1.778,544 2.389,545 1.072,546 0.941,547 0.708,548 0.436,549 0.242,550 0.118,551 10835,552 31906,553 2.215,554 34.1,556 6,557 1,558 2,559 3,560 3,564 1.726,565 2.148,566 3.309,567 1.028,568 1,569 1,573 68.499,574 1.557,575 3.771,576 4.817,577 5.26,578 5.351,579 5.351,580 2.748,581 4.513,582 4.827,583 3.466,584 1407.01,585 8.448,586 18619.6,588 1,590 1,591 240.215,592 1.091,593 4.82,594 0.152,595 0.003,596 0.039,597 0.056,598 0.024,599 0.02,600 0.014,601 0.01,602 0.007,603 0.005,604 0.329,605 0.17,606 0.88,607 0.335,608 145.072,609 0.006,610 -0.148,611 0.056,612 -0.064,613 -0.083,614 -0.007,615 0.112,616 -0.253,617 0.081,618 -0.188,619 0.147,620 -0.086,621 -0.275,622 0.078,623 -0.117,624 0.131,625 -0.35,626 0.06,627 0.051,628 0.044,629 0.009,630 0.008,631 0.18,632 0.001,633 -0.116,634 -0.101,635 -0.103,636 -0.093,637 -0.183,638 -0.095,639 0.152,640 0.08,641 0.069,642 0.023,643 0.231,644 0.026,645 -0.247,646 -0.024,647 -0.257,648 -0.089,649 -0.267,650 -0.159,651 0.024,652 -0.049,653 -0.122,654 -0.163,655 -0.03,656 -0.173,657 1.084,658 1.64,659 0.897,660 26.897,661 1.02,662 1.143,663 4.133,664 17.084,665 0.695,666 3.526,667 3.85,668 4.143,669 4.489,670 4.7,671 4.852,672 5.043,673 5.236,674 5.293,675 5.375,676 6.154,677 0.688,678 385.44,679 3.526,680 5.069,681 5.927,682 6.817,683 7.695,684 8.597,685 9.486,686 10.394,687 11.291,688 12.204,689 25,697 4,699 7,703 1,704 9,705 7,706 1,709 7,711 27,724 2,731 44,733 27,735 33,737 48,738 18,739 17,746 5,747 6,752 1,761 17,762 1,777 1,778 1,781 15,782 9,783 3,784 11,787 1,790 11,794 0.8,803 1,804 2,806 1,811 2,812 3,815 1,840 4,844 1,848 29,855 2,877 13.5,878 8.35,879 6.278,880 2.444,881 4.925,882 1.618,883 1.052,884 4.408,885 12.894,886 3.861,887 4.516,888 5.147,889 5.819,890 6.333,891 6.713,892 7.232,893 7.756,894 8.089,895 8.501,896 0.857,897 43,898 10.573,900 4.489,901 7.701,902 19.914,904 15.99,905 2.201,906 63.833,909 1,910 141.253,911 111.693,912 170.857,917 111.693,918 141.253,919 170.857,920 8.825,922 65.905,923 142.266,924 77.028,925 23.84,926 105.94,928 141.253,929 282.55,933 143.581,937 85.241,938 77.973,939 117.009,941 141.253,942 170.857,943 111.693,946 141.253,947 18.868,948 93.989,949 52.685,950 117.009,951 141.253,952 170.857,953 111.693,955 0.575,956 0.331,957 0.196,958 0.105,959 24,960 9,961 0.104,962 5,963 1,964 1.077,965 4.109,966 270.559,967 0.077,968 26,969 138.881,974 17.377,975 7.357,976 3.546,977 0.681,978 153.03,979 15.976,980 30.173,981 2.777,984 4.319,986 52.685,987 423.804,988 46.5,999 44.887,1000 50.312,1001 0.285,1002 0.691,1003 0.882,1004 0.964,1005 0.98,1006 0.98,1007 5.074,1008 1.469,1009 5.894,1010 5.188,1011 4.533,1012 5.204,1013 0.495,1014 6.703,1015 4.422,1016 6.29,1017 1.395,1018 7.435,1019 4.279,1020 4.007,1021 4.913,1023 7.557,1024 3.825,1025 7.595,1026 1.377,1027 9.078,1028 3.021,1029 6.107,1030 7.455,1031 0.097,1032 10.723,1033 5.878,1034 8.939,1035 1.12,1036 10.784,1037 2.992,1038 6.447,1039 8.054,1041 12.504,1042 6.147,1043 10.316,1044 1,1045 12.535,1046 2.52,1047 7.977,1048 10.002,1049 0.016,1050 15.181,1051 7.631,1052 11.72,1053 0.618,1054 14.319,1055 2.136,1056 8.744,1057 11.056,1059 17.371,1060 8.331,1061 13.145,1062 0.523,1063 16.128,1064 1.403,1065 10.041,1066 12.748,1067 0.003,1068 19.895,1069 9.579,1070 3.284,1072 17.959,1073 1.372,1074 11.02,1075 14.04,1077 22.254,1078 10.497,1079 2.777,1080 11.779,1081 19.808,1083 12.227,1084 15.624,1086 24.734,1087 11.653,1088 2.558,1089 8.389,1090 21.671,1091 4.634,1092 13.31,1093 17.036,1095 27.159,1096 12.676,1097 2.487,1098 7.62,1099 23.547,1100 3.829,1101 14.487,1102 18.577,1104 29.627,1105 13.801,1106 2.192,1107 7.269,1108 25.434,1109 3.499,1110 15.619,1111 20.048,1113 32.077,1114 14.877,1115 1.903,1116 6.483,1117 27.329,1118 3.437,1119 16.791,1120 21.577,1122 34.542,1123 15.995,1124 1.864,1125 5.538,1126 29.231,1127 3.045,1128 17.948,1129 23.077,1131 37.002,1132 17.096,1133 9969,1134 17299,1135 23.057,1136 30.586,1137 49.832,1138 49.043,1139 49.41,1140 49.219,1141 49.132,1142 68.941,1143 1.6,1144 139.977,1145 46.509,1146 5.499,1147 5.319,1148 6.745,1149 5.314,1150 5.284,1151 7.634,1152 0.8,1153 18.989,1154 5.048,1155 6.765,1156 1.51,1157 1.486,1158 1.497,1159 1.491,1160 1.489,1161 2.089,1162 0.048,1163 4.242,1164 1.409,1165 4.133,1166 4.189,1167 4.116,1168 3.948,1169 5.173,1170 3.983,1171 3.876,1172 3.939,1173 3.836,1174 3.702,1175 5.063,1176 3.727,1177 3.862,1178 3.932,1179 3.809,1180 3.649,1181 5.009,1182 3.679,1183 3.74,1184 3.795,1185 3.692,1186 3.587,1187 4.902,1188 3.604,1189 3.359,1190 3.418,1191 3.283,1192 3.215,1193 4.413,1194 3.225,1195 3.188,1196 3.275,1197 3.034,1198 3.011,1199 4.122,1200 3.003,1201 2.949,1202 3.035,1203 2.858,1204 2.732,1205 3.966,1206 2.753,1207 2.787,1208 2.892,1209 2.671,1210 2.568,1211 3.888,1212 2.581,1213 0.142,1214 0.101,1215 0.21,1216 0.128,1217 0.1,1218 4.698,1219 0.14,1220 3.319,1221 0.012,1222 6.943,1223 0.357,1224 4.23,1225 0.094,1226 3.284,1227 4.634,1228 0.4,1229 11.779,1230 3.105,1231 1.88,1232 1.833,1233 1.95,1234 2.075,1235 1.014,1236 2.039,1237 1.788,1238 1.738,1239 1.888,1240 1.984,1241 0.893,1242 1.956,1243 1.707,1244 1.661,1245 1.82,1246 1.882,1247 0.824,1248 1.864,1249 1.523,1250 1.472,1251 1.665,1252 1.725,1253 0.716,1254 1.698,1255 1.367,1256 1.294,1257 1.564,1258 1.686,1259 0.635,1260 1.649,1261 1.224,1262 1.138,1263 1.452,1264 1.448,1265 0.427,1266 1.477,1267 1.112,1268 1.037,1269 1.227,1270 1.356,1271 0.222,1272 1.331,1273 0.936,1274 0.871,1275 1.101,1276 1.168,1277 0.113,1278 1.155,1279 4.205,1281 5.525,1282 3.045,1283 7.034,1284 5.352,1285 8.634,1286 7.424,1287 10.285,1289 1.822,1296 6.359,1305 30.289,1306 68.499,1307 165.911,1308 211.95,1309 231.46,1310 235.46,1311 235.46,1312 30.669,1313 7.969,1314 134.49,1315 134.49,1316 28,1317 12.72,1318 4.807,1319 3.858,1320 39.295,1321 103,1322 118,1323 0.18,1324 186.074,1325 292.98,1326 445.781,1327 33296,1329 19.631,1330 0.677,1331 0.527,1332 19.631,1333 15.274,1334 14.259,1335 0.432,1336 0.266,1337 8.599,1338 13.5,1339 8.458,1340 7.033,1341 14.259,1342 8.775,1343 12.846,1344 0.279,1345 0.133,1346 12.846,1347 6.107,1348 10.736,1349 0.173,1350 0.065,1351 10.736,1352 4.049,1353 9.797,1354 0.111,1355 0.033,1356 9.797,1357 2.909,1358 7.602,1359 0.07,1360 0.017,1361 7.602,1362 1.804,1363 0.276,1364 90.496,1365 0.208,1366 27.157,1367 0.517,1368 158,1369 494.159,1370 179.287,1371 486.085,1372 689.86,1373 458,1374 187,1375 548.756,1376 209.592,1377 547.433,1378 797.43,1379 517,1380 6.762}
{0 CHEMBL2172633,1 1.636,2 13.343,3 3.37,4 11.354,5 130.321,6 8.255,7 0.675,8 4.206,9 4.342,10 3.871,11 3.651,12 5.364,13 3.687,14 4.717,15 4.896,16 4.23,17 4.017,18 5.849,19 4.043,20 4.893,21 5.118,22 4.21,23 4.098,24 5.948,25 4.094,26 4.855,27 5.071,28 4.203,29 4.127,30 5.923,31 4.103,32 4.909,33 5.131,34 4.246,35 4.144,36 5.995,37 4.129,38 4.912,39 5.135,40 4.268,41 4.137,42 6.03,43 4.125,44 4.875,45 5.099,46 4.147,47 4.09,48 5.964,49 4.067,50 4.835,51 5.073,52 4.039,53 4.025,54 5.891,55 3.976,56 0.181,57 1.02,58 10.004,59 3.927,60 10.761,61 5.151,62 0.476,63 1.538,64 19.898,65 6.354,66 28.189,67 8.664,68 0.745,69 1.686,70 26.966,71 6.924,72 42.841,73 10.076,74 0.519,75 1.688,76 24.554,77 7.889,78 35.754,79 11.399,80 0.611,81 1.744,82 26.592,83 7.79,84 41.295,85 11.484,86 0.675,87 1.741,88 26.97,89 8.022,90 44.714,91 11.685,92 0.604,93 1.665,94 25.599,95 7.086,96 40.913,97 10.387,98 0.588,99 1.544,100 25.53,101 7.573,102 41.872,103 11.285,104 2,105 56,106 0.262,107 0.629,108 0.799,109 0.854,110 0.865,111 0.865,112 3.589,113 0.835,114 -5.65,115 -5.52,116 -5.15,119 38.6,120 1,125 4,142 6,145 1,146 1,147 5,149 1,151 1,152 1,161 1,166 2,168 1,172 2,174 3,175 11,178 4,180 4,186 4,187 7,190 2,191 1,192 1,198 4,199 5,202 3,204 3,207 2,211 4,212 6,215 3,217 1,220 2,223 6,224 10,227 4,228 1,229 1,232 4,236 3,237 6,240 2,242 3,245 3,249 4,250 6,253 3,255 4,258 2,262 3,263 4,266 2,267 1,268 2,271 1,275 2349,276 24.394,277 24.394,278 24.394,279 24.394,280 24.394,281 21.231,282 31.854,283 14.619,284 25.219,285 19.863,286 19.863,287 19.863,288 19.863,289 19.863,290 15.114,291 53.25,292 7.058,293 21.205,294 4.197,295 1.907,296 0.847,297 0.504,298 0.434,299 0.434,300 4.311,306 1057,307 2.739,310 157.472,311 432.561,314 145.463,318 2.047,319 28.054,322 0.5,323 0.5,324 0.83,325 0.5,327 0.67,328 0.5,329 0.5,330 77,331 467,332 4.698,333 3.319,334 6.943,335 4.23,336 3.284,337 4.634,338 0.86,339 11.779,340 3.105,341 4.194,342 3.127,343 6.143,344 3.811,345 2.881,346 3.838,347 0.8,348 9.059,349 2.681,350 4.101,351 2.899,352 5.884,353 3.684,354 2.751,355 3.672,356 0.4,357 8.381,358 2.564,359 3.941,360 2.678,361 5.63,362 3.499,363 2.558,364 3.498,365 0.4,366 7.612,367 2.406,368 3.718,369 2.578,370 5.458,371 3.366,372 2.43,373 3.079,375 7.251,376 2.272,377 3.581,378 2.311,379 5.218,380 3.138,381 2.185,382 2.928,384 6.471,385 2.077,386 3.262,387 2.249,388 4.941,389 2.858,390 1.925,391 2.563,393 5.542,394 1.795,395 3.236,396 2.02,397 4.726,398 2.801,399 1.864,400 2.473,402 5.21,403 1.742,404 2.957,405 1.934,406 4.533,407 2.648,408 1.73,409 2.134,411 4.442,412 1.582,413 2.916,414 1.523,415 4.421,416 2.409,417 1.456,418 2.023,420 4.265,421 1.386,422 2.859,423 1.46,424 3.643,425 2.347,426 1.386,427 1.997,428 2.994,429 1.327,430 2.557,431 1.405,432 3.517,433 2.059,434 1.152,435 1.581,436 2.698,437 1.049,438 2.5,439 1.256,440 3.503,441 2.027,442 1.119,443 1.5,445 2.52,446 1.002,447 2.257,448 1.175,449 3.414,450 1.983,451 1,452 1.243,454 2.275,455 0.981,456 2.118,457 1,458 3.328,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.133,466 0.461,467 0.705,468 0.02,469 51,470 1.457,471 25.5,472 0.729,473 25.5,474 0.729,475 26.676,476 0.762,477 36.667,478 0.643,479 39.682,480 1.134,481 10.187,482 0.291,483 7.039,484 0.201,485 0.031,487 0.329,493 0.892,494 1.464,495 0.685,496 1.14,497 0.79,498 0.913,499 1.132,500 1.293,501 0.821,502 1.039,503 0.851,504 0.909,505 1.293,506 0.942,507 1.04,508 0.774,509 1.254,510 0.839,511 0.801,512 1.091,513 0.912,514 1.038,515 0.782,516 0.997,517 0.917,518 1.085,519 0.926,520 0.97,521 1.087,522 0.942,523 0.851,524 0.986,525 0.873,526 0.93,527 0.799,528 0.907,529 1.145,530 1.081,531 1.113,532 0.995,533 1.197,534 1.027,535 0.846,536 1.036,537 1.055,538 1.068,539 0.965,540 1.089,541 6,542 0.158,543 2.667,544 2.639,545 1.214,546 1.191,547 0.868,548 0.531,549 0.303,550 0.19,551 20080,552 54713,553 2.227,554 38.6,556 14,557 1,558 1,559 3,560 3,564 1.768,565 2.165,566 3.659,567 0.933,573 93.24,574 1.636,575 3.926,576 4.986,577 5.328,578 5.399,579 5.399,580 3.109,581 4.729,582 5.098,583 3.861,584 2297.47,585 8.959,586 35766.2,591 332.475,592 1.069,593 5.093,594 0.15,595 0.005,596 0.048,597 0.049,598 0.022,599 0.021,600 0.015,601 0.011,602 0.007,603 0.005,604 0.333,605 0.17,606 0.5,607 0.293,608 189.287,609 -0.003,610 -0.236,611 0.076,612 -0.131,613 -0.005,614 -0.031,615 -0.027,616 -0.183,617 0.059,618 -0.072,619 0.102,620 -0.013,621 -0.18,622 0.099,623 -0.08,624 0.145,625 -0.199,626 0.067,627 0.026,628 -0.031,629 0.001,630 -0.049,631 0.115,632 -0.034,633 -0.003,634 -0.038,635 0.01,636 -0.007,637 -0.08,638 0.004,639 0.112,640 0.053,641 0.073,642 0.029,643 0.193,644 0.038,645 -0.192,646 -0.026,647 -0.177,648 -0.056,649 -0.184,650 -0.102,651 0.018,652 -0.026,653 -0.094,654 -0.097,655 -0.028,656 -0.114,657 1.088,658 1.905,659 0.914,660 40.473,661 1.017,662 1.145,663 4.419,664 19.526,665 0.672,666 3.714,667 4.043,668 4.344,669 4.673,670 4.898,671 5.037,672 5.231,673 5.412,674 5.493,675 5.606,676 7.78,677 0.66,678 470.56,679 3.714,680 5.263,681 6.125,682 7.013,683 7.892,684 8.789,685 9.677,686 10.579,687 11.473,688 12.379,689 21.1,695 1,697 4,699 7,703 1,704 8,705 7,706 1,709 8,711 27,724 2,726 1,731 57,733 27,735 40,737 62,738 22,739 17,746 6,747 7,752 1,761 17,762 5,781 22,782 11,783 3,784 13,787 1,790 12,794 0.833,795 1,803 1,804 2,806 1,811 2,812 4,815 1,839 1,840 5,844 1,848 35,854 4,855 2,856 1,859 1,870 1.8,874 1,877 16.167,878 10.633,879 7.556,880 3.316,881 5.125,882 1.59,883 1.039,884 5.86,885 13.816,886 3.998,887 4.63,888 5.25,889 5.904,890 6.424,891 6.813,892 7.319,893 7.826,894 8.168,895 8.588,896 0.889,897 54,898 12.835,900 5.482,901 7.643,902 24.489,904 19.985,905 2.143,906 75,910 223.651,911 118.37,912 173.981,914 11,917 118.37,918 234.651,919 173.981,920 8.825,921 13.396,922 65.905,923 141.495,924 71.105,925 26.167,926 200.109,928 223.651,929 292.351,930 11,933 225.979,935 11,937 89.589,938 83.426,939 117.009,941 223.651,942 184.981,943 118.37,946 223.651,947 34.593,948 88.066,949 52.685,950 128.009,951 223.651,952 184.981,953 118.37,955 0.578,956 0.336,957 0.196,958 0.105,959 29,960 11,961 0.097,962 6,963 1,964 1.063,965 4.684,966 348.184,967 0.063,968 32,969 169.525,974 21.71,975 9.447,976 4.605,977 0.677,978 167.154,979 14.628,980 31.208,981 2.793,984 5.107,986 52.685,987 527.002,988 53.5,999 57.967,1000 65.265,1001 0.28,1002 0.673,1003 0.855,1004 0.914,1005 0.926,1006 0.926,1007 5.23,1008 1.864,1009 6.094,1010 5.542,1011 4.727,1012 5.318,1013 1.406,1014 6.903,1015 4.601,1016 6.432,1017 1.73,1018 7.638,1019 5.21,1020 4.205,1021 5.047,1022 0.325,1023 7.761,1024 4.008,1025 7.734,1026 1.456,1027 9.282,1028 4.442,1029 6.308,1030 7.542,1031 0.977,1032 10.908,1033 6.056,1034 9.074,1035 1.386,1036 10.989,1037 4.265,1038 6.648,1039 8.158,1040 0.268,1041 12.673,1042 6.328,1043 10.449,1044 1.152,1045 12.738,1046 2.994,1047 8.177,1048 10.075,1049 0.74,1050 15.329,1051 7.803,1052 11.849,1053 1.119,1054 14.519,1055 2.698,1056 8.934,1057 11.134,1058 0.188,1059 17.493,1060 8.497,1061 13.271,1062 1,1063 16.324,1064 2.52,1065 10.227,1066 12.808,1067 0.571,1068 19.998,1069 9.736,1070 3.284,1071 1,1072 18.148,1073 2.275,1074 11.193,1075 14.097,1076 0.125,1077 22.336,1078 10.643,1079 2.881,1080 11.779,1081 19.988,1082 2.136,1083 12.393,1084 15.67,1085 0.439,1086 24.8,1087 11.788,1088 2.751,1089 9.059,1090 21.842,1091 4.634,1092 13.461,1093 17.077,1094 0.082,1095 27.21,1096 12.799,1097 2.558,1098 8.381,1099 23.708,1100 3.838,1101 14.629,1102 18.612,1103 0.334,1104 29.667,1105 13.914,1106 2.43,1107 7.612,1108 25.583,1109 3.672,1110 15.747,1111 20.078,1112 0.054,1113 32.108,1114 14.977,1115 2.185,1116 7.251,1117 27.467,1118 3.498,1119 16.908,1120 21.601,1121 0.252,1122 34.567,1123 16.086,1124 1.925,1125 6.471,1126 29.359,1127 3.079,1128 18.053,1129 23.098,1130 0.035,1131 37.021,1132 17.176,1133 18143,1134 30186,1135 28.027,1136 38.33,1137 60.361,1138 60.065,1139 60.242,1140 59.997,1141 59.926,1142 79.95,1143 4.92,1144 171.366,1145 56.219,1146 5.698,1147 5.319,1148 6.745,1149 5.333,1150 5.284,1151 7.634,1152 1.72,1153 18.989,1154 5.053,1155 7.736,1156 1.509,1157 1.502,1158 1.506,1159 1.5,1160 1.498,1161 1.999,1162 0.123,1163 4.284,1164 1.405,1165 4.134,1166 4.191,1167 4.117,1168 3.949,1169 5.173,1170 3.985,1171 3.921,1172 3.979,1173 3.876,1174 3.737,1175 5.049,1176 3.763,1177 3.864,1178 3.937,1179 3.811,1180 3.649,1181 5.009,1182 3.68,1183 3.794,1184 3.85,1185 3.743,1186 3.62,1187 4.899,1188 3.642,1189 3.64,1190 3.694,1191 3.538,1192 3.442,1193 4.607,1194 3.456,1195 3.359,1196 3.418,1197 3.283,1198 3.215,1199 4.413,1200 3.225,1201 3.186,1202 3.269,1203 3.04,1204 3.007,1205 4.123,1206 2.999,1207 3.111,1208 3.206,1209 2.879,1210 2.941,1211 3.966,1212 2.91,1213 0.117,1214 0.083,1215 0.174,1216 0.106,1217 0.082,1218 4.698,1219 0.116,1220 3.319,1221 0.022,1222 6.943,1223 0.294,1224 4.23,1225 0.078,1226 3.284,1227 4.634,1228 0.86,1229 11.779,1230 3.105,1231 1.882,1232 1.836,1233 1.965,1234 2.078,1235 1.207,1236 2.044,1237 1.816,1238 1.765,1239 1.936,1240 2.028,1241 1.013,1242 2.002,1243 1.746,1244 1.699,1245 1.863,1246 1.941,1247 0.89,1248 1.92,1249 1.59,1250 1.538,1251 1.759,1252 1.808,1253 0.825,1254 1.793,1255 1.52,1256 1.469,1257 1.665,1258 1.722,1259 0.812,1260 1.697,1261 1.367,1262 1.294,1263 1.563,1264 1.686,1265 0.716,1266 1.649,1267 1.222,1268 1.137,1269 1.513,1270 1.446,1271 0.635,1272 1.474,1273 1.153,1274 1.064,1275 1.449,1276 1.376,1277 0.427,1278 1.429,1279 4.394,1281 5.72,1282 3.045,1283 7.236,1284 5.352,1285 8.84,1286 7.424,1287 10.492,1289 1.833,1295 2.995,1296 6.47,1297 5.405,1300 2.152,1305 37.606,1306 93.24,1307 223.792,1308 284.21,1309 303.72,1310 307.72,1311 307.72,1312 41.057,1313 8.691,1314 146.96,1315 146.96,1316 34,1317 12.9,1318 4.807,1319 3.858,1320 47.05,1321 161,1322 185,1323 0.138,1324 227.841,1325 369.61,1326 547.691,1327 87253,1329 23.614,1330 0.675,1331 0.539,1332 23.614,1333 18.88,1334 17.225,1335 0.431,1336 0.278,1337 10.886,1338 16.234,1339 10.729,1340 8.835,1341 17.225,1342 11.129,1343 15.521,1344 0.277,1345 0.141,1346 15.521,1347 7.874,1348 13.219,1349 0.174,1350 0.072,1351 13.219,1352 5.462,1353 11.875,1354 0.112,1355 0.037,1356 11.875,1357 3.894,1358 9.411,1359 0.071,1360 0.019,1361 9.411,1362 2.473,1363 0.219,1364 109.823,1365 0.189,1366 32.279,1367 0.376,1368 192,1369 593.54,1370 218.969,1371 572.923,1372 810.27,1373 542,1374 228,1375 635.561,1376 256.885,1377 631.756,1378 926.57,1379 597,1380 6.592}
{0 CHEMBL2172634,1 1.634,2 11.818,3 2.488,4 6.191,5 120.678,6 8.214,7 0.684,8 4.156,9 4.291,10 3.819,11 3.608,12 5.298,13 3.641,14 4.676,15 4.849,16 4.191,17 3.989,18 5.792,19 4.013,20 4.84,21 5.071,22 4.107,23 4.029,24 5.867,25 4.011,26 4.796,27 5.019,28 4.155,29 4.061,30 5.861,31 4.042,32 4.809,33 5.009,34 4.19,35 4.087,36 5.898,37 4.076,38 4.861,39 5.086,40 4.208,41 4.097,42 5.945,43 4.079,44 4.868,45 5.091,46 4.125,47 4.093,48 5.937,49 4.061,50 4.854,51 5.095,52 4.015,53 4.04,54 5.874,55 3.983,56 0.171,57 0.967,58 9.635,59 3.8,60 9.692,61 4.966,62 0.412,63 1.485,64 18.989,65 6.161,66 27.767,67 8.387,68 0.7,69 1.577,70 25.91,71 6.693,72 40.573,73 9.822,74 0.534,75 1.566,76 24.212,77 7.512,78 35.672,79 10.958,80 0.486,81 1.631,82 22.653,83 7.218,84 30.687,85 10.177,86 0.627,87 1.668,88 25.836,89 7.73,90 38.846,91 11.33,92 0.552,93 1.654,94 25.567,95 7.416,96 39.713,97 10.844,98 0.575,99 1.545,100 26.624,101 7.932,102 42.079,103 11.774,104 2,105 54,106 0.265,107 0.656,108 0.846,109 0.9,110 0.9,111 0.9,112 3.532,113 0.836,114 -4.59,115 -4.51,116 -4.24,119 38.9,120 1,121 1,125 2,127 1,142 4,144 1,145 2,146 1,147 3,149 1,151 2,152 1,161 1,166 2,168 1,172 1,174 2,175 10,178 3,180 3,186 3,187 5,190 3,191 1,198 4,199 3,202 3,204 3,207 1,211 4,212 5,215 2,217 2,220 1,223 4,224 7,227 5,228 1,229 1,232 3,236 2,237 5,240 2,242 3,245 3,249 4,250 4,253 1,255 3,258 2,262 4,263 1,266 3,267 1,268 1,271 1,275 2002,276 22.98,277 22.98,278 22.98,279 22.98,280 22.98,281 19.946,282 30.268,283 13.673,284 23.683,285 18.88,286 18.88,287 18.88,288 18.88,289 18.88,290 14.286,291 49.788,292 6.609,293 20.05,294 4.121,295 1.708,296 0.532,297 0.199,298 0.199,299 0.199,300 4.253,304 1,305 1,306 888,307 2.739,310 318.921,311 186.835,314 133.413,318 1.785,319 25.769,322 0.75,323 0.67,324 0.83,325 0.7,327 0.83,328 1,329 0.68,330 72.5,331 390,332 4.698,333 3.32,334 6.943,335 4.23,336 3.284,337 4.634,338 0.86,339 11.779,340 3.105,341 4.242,342 3.098,343 6.187,344 3.886,345 2.939,346 3.863,347 0.4,348 9.249,349 2.779,350 4.117,351 2.874,352 5.882,353 3.676,354 2.738,355 3.739,356 0.4,357 8.358,358 2.566,359 3.941,360 2.677,361 5.623,362 3.499,363 2.558,364 3.498,366 7.593,367 2.406,368 3.655,369 2.568,370 5.45,371 3.344,372 2.392,373 3.061,375 7.207,376 2.274,377 3.537,378 2.261,379 5.217,380 3.138,381 2.184,382 2.753,384 6.463,385 2.08,386 3.261,387 2.2,388 4.944,389 2.851,390 1.914,391 2.561,393 5.552,394 1.792,395 3.231,396 1.966,397 4.739,398 2.8,399 1.864,400 2.448,402 5.238,403 1.74,404 2.936,405 1.865,406 4.533,407 2.492,408 1.563,409 2.133,411 4.297,412 1.449,413 2.859,414 1.472,415 4.302,416 2.398,417 1.449,418 2.023,420 4.049,421 1.371,422 2.783,423 1.407,424 3.643,425 2.347,426 1.386,427 1.836,428 2.994,429 1.327,430 2.557,431 1.175,432 3.515,433 2.058,434 1.12,435 1.581,436 2.52,437 1.048,438 2.223,439 1.1,440 3.33,441 1.797,442 0.879,443 1.116,445 2.07,446 0.801,447 2.118,448 0.938,449 3.321,450 1.604,451 0.618,452 0.927,454 1.545,455 0.609,456 1.996,457 0.671,458 3.204,459 1.557,460 0.618,461 0.776,463 1.402,464 0.576,465 15.233,466 0.462,467 0.705,468 0.021,469 47,470 1.424,471 23,472 0.697,473 24,474 0.727,475 25.544,476 0.774,477 34.567,478 0.64,479 35.735,480 1.083,481 9.267,482 0.281,483 6.959,484 0.211,485 0.033,487 0.348,493 0.885,494 1.419,495 0.687,496 1.115,497 0.813,498 0.901,499 1.167,500 1.377,501 0.828,502 1.076,503 0.902,504 0.929,505 1.24,506 0.92,507 1.091,508 0.817,509 1.261,510 0.9,511 0.787,512 0.969,513 0.807,514 0.874,515 0.69,516 0.841,517 0.994,518 1.187,519 0.981,520 1.095,521 1.082,522 1.041,523 0.804,524 0.976,525 0.863,526 0.9,527 0.716,528 0.889,529 1.084,530 1.115,531 1.094,532 1.036,533 1.181,534 1.051,535 0.912,536 1.007,537 1.069,538 1.047,539 1.014,540 1.073,541 6,542 0.149,543 2.444,544 2.576,545 1.261,546 1.094,547 0.724,548 0.451,549 0.284,550 0.212,551 16700,552 44639,553 2.242,554 38.9,556 9,557 2,558 2,559 3,560 3,562 2,564 1.756,565 2.176,566 3.516,567 0.952,569 1,573 88.233,574 1.634,575 4.047,576 5.222,577 5.556,578 5.556,579 5.556,580 2.95,581 4.681,582 5.014,583 3.714,584 1960.97,585 8.804,586 28858.1,588 1,591 310.764,592 1.096,593 5.007,594 0.158,595 0.005,596 0.045,597 0.054,598 0.024,599 0.021,600 0.013,601 0.009,602 0.007,603 0.006,604 0.342,605 0.17,606 0.88,607 0.306,608 173.931,609 0.008,610 -0.194,611 0.078,612 -0.109,613 -0.021,614 -0.02,615 -0.071,616 -0.263,617 0.044,618 -0.104,619 0.073,620 -0.033,621 -0.158,622 0.116,623 -0.124,624 0.097,625 -0.217,626 0.01,627 0.089,628 0.067,629 0.132,630 0.111,631 0.219,632 0.128,633 -0.062,634 -0.098,635 -0.088,636 -0.126,637 -0.127,638 -0.116,639 0.114,640 0.066,641 0.081,642 0.058,643 0.208,644 0.059,645 -0.171,646 -0.068,647 -0.161,648 -0.082,649 -0.176,650 -0.111,651 -0.035,652 -0.016,653 -0.097,654 -0.068,655 -0.063,656 -0.087,657 1.07,658 1.967,659 0.909,660 34.364,661 1.016,662 1.144,663 3.358,664 11.278,665 0.673,666 3.664,667 4.007,668 4.317,669 4.663,670 4.82,671 5.017,672 5.198,673 5.384,674 5.468,675 5.568,676 7.131,677 0.659,678 443.53,679 3.664,680 5.22,681 6.089,682 6.986,683 7.871,684 8.775,685 9.668,686 10.577,687 11.475,688 12.386,689 20.4,697 5,699 6,703 1,704 8,705 6,706 1,709 7,710 1,711 26,724 2,731 54,733 26,735 38,737 59,738 21,739 16,746 6,747 7,752 1,755 2,758 2,761 16,762 5,778 1,781 21,782 9,783 3,784 12,787 1,790 11,794 0.833,795 1,801 1,803 2,804 1,806 1,811 4,812 2,815 1,839 1,840 5,844 1,848 33,854 3,855 2,856 1,858 1,870 1.9,874 1,877 15.167,878 10.017,879 7.056,880 3.138,881 4.902,882 1.574,883 1.045,884 5.167,885 13.438,886 3.951,887 4.598,888 5.226,889 5.893,890 6.342,891 6.783,892 7.29,893 7.8,894 8.143,895 8.556,896 0.875,897 48,898 12.113,900 5.228,901 7.626,902 23.186,904 19.231,905 2.126,906 70.167,909 1,910 211.88,911 113.936,912 155.971,914 11,917 113.936,918 222.88,919 155.971,920 8.825,921 11.719,922 56,923 136.603,924 81.561,925 33.283,926 164.795,928 211.88,929 269.907,930 11,933 190.666,934 23.542,935 11,937 98.736,938 68.497,939 100.346,941 211.88,942 166.971,943 113.936,946 211.88,947 31.017,948 85.86,949 52.685,950 111.345,951 211.88,952 166.971,953 113.936,955 0.581,956 0.339,957 0.2,958 0.099,959 29,960 11,961 0.102,962 6,963 1,964 1.067,965 4.508,966 326.412,967 0.067,968 30,969 166.465,974 20.149,975 8.463,976 4.033,977 0.691,978 147.367,979 14.641,980 27.036,981 2.797,984 4.731,985 1.935,986 52.685,987 492.787,988 51,999 54.865,1000 61.767,1001 0.284,1002 0.703,1003 0.907,1004 0.965,1005 0.965,1006 0.965,1007 5.19,1008 1.864,1009 6.066,1010 5.552,1011 4.691,1012 5.286,1013 1.138,1014 6.889,1015 4.574,1016 6.4,1017 1.563,1018 7.618,1019 5.238,1020 4.205,1021 5.047,1023 7.761,1024 4.036,1025 7.709,1026 1.449,1027 9.269,1028 4.297,1029 6.286,1030 7.522,1031 0.787,1032 10.913,1033 6.054,1034 9.057,1035 1.386,1036 10.982,1037 4.049,1038 6.673,1039 8.182,1041 12.686,1042 6.387,1043 10.439,1044 1.12,1045 12.736,1046 2.994,1047 8.17,1048 10.067,1049 0.602,1050 15.342,1051 7.825,1052 11.845,1053 0.879,1054 14.52,1055 2.52,1056 8.964,1057 11.161,1059 17.508,1060 8.564,1061 13.272,1062 0.618,1063 16.328,1064 2.07,1065 10.237,1066 12.812,1067 0.471,1068 20.013,1069 9.78,1070 3.284,1071 0.618,1072 18.154,1073 1.545,1074 11.224,1075 14.123,1077 22.35,1078 10.712,1079 2.939,1080 11.779,1081 19.996,1082 1.402,1083 12.415,1084 15.681,1085 0.367,1086 24.813,1087 11.846,1088 2.738,1089 9.249,1090 21.851,1091 4.634,1092 13.493,1093 17.099,1095 27.222,1096 12.869,1097 2.558,1098 8.358,1099 23.718,1100 3.863,1101 14.658,1102 18.625,1103 0.283,1104 29.678,1105 13.978,1106 2.392,1107 7.593,1108 25.594,1109 3.739,1110 15.781,1111 20.096,1113 32.117,1114 15.046,1115 2.184,1116 7.207,1117 27.478,1118 3.498,1119 16.94,1120 21.614,1121 0.217,1122 34.574,1123 16.151,1124 1.914,1125 6.463,1126 29.37,1127 3.061,1128 18.087,1129 23.112,1131 37.027,1132 17.241,1133 15025,1134 24781,1135 26.641,1136 36.324,1137 57.633,1138 57.546,1139 57.101,1140 57.314,1141 57.294,1142 76.654,1143 3.32,1144 166.12,1145 53.947,1146 5.595,1147 5.32,1148 6.624,1149 5.317,1150 5.284,1151 7.634,1152 1.72,1153 18.989,1154 5.048,1155 7.4,1156 1.517,1157 1.514,1158 1.503,1159 1.508,1160 1.508,1161 2.017,1162 0.087,1163 4.372,1164 1.42,1165 4.137,1166 4.193,1167 4.118,1168 3.951,1169 5.17,1170 3.986,1171 3.987,1172 4.048,1173 3.937,1174 3.784,1175 5.012,1176 3.814,1177 3.863,1178 3.937,1179 3.811,1180 3.649,1181 4.988,1182 3.68,1183 3.798,1184 3.853,1185 3.751,1186 3.628,1187 4.881,1188 3.65,1189 3.627,1190 3.676,1191 3.521,1192 3.45,1193 4.589,1194 3.459,1195 3.358,1196 3.418,1197 3.282,1198 3.214,1199 4.412,1200 3.223,1201 3.166,1202 3.254,1203 3.001,1204 2.989,1205 4.076,1206 2.979,1207 2.911,1208 3.008,1209 2.828,1210 2.684,1211 3.964,1212 2.683,1213 0.124,1214 0.087,1215 0.183,1216 0.111,1217 0.086,1218 4.698,1219 0.122,1220 3.32,1221 0.023,1222 6.943,1223 0.31,1224 4.23,1225 0.082,1226 3.284,1227 4.634,1228 0.86,1229 11.779,1230 3.105,1231 1.876,1232 1.829,1233 1.945,1234 2.07,1235 1.232,1236 2.035,1237 1.766,1238 1.718,1239 1.871,1240 1.952,1241 1.013,1242 1.928,1243 1.662,1244 1.599,1245 1.851,1246 1.878,1247 0.884,1248 1.868,1249 1.533,1250 1.482,1251 1.665,1252 1.736,1253 0.82,1254 1.706,1255 1.439,1256 1.389,1257 1.624,1258 1.686,1259 0.717,1260 1.651,1261 1.363,1262 1.29,1263 1.586,1264 1.625,1265 0.684,1266 1.624,1267 1.317,1268 1.262,1269 1.54,1270 1.607,1271 0.617,1272 1.601,1273 1.213,1274 1.128,1275 1.421,1276 1.433,1277 0.393,1278 1.448,1279 4.344,1281 5.68,1282 3.714,1283 7.189,1284 5.974,1285 8.785,1286 7.984,1287 10.431,1289 1.853,1295 2.416,1296 6.584,1297 5.467,1299 0.267,1305 35.584,1306 88.233,1307 218.525,1308 282.009,1309 300.009,1310 300.009,1311 300.009,1312 38.703,1313 8.536,1314 135.76,1315 135.76,1316 32,1317 12.903,1318 4.755,1319 3.807,1320 43.098,1321 138,1322 147,1323 0.147,1324 214.381,1325 343.95,1326 514.85,1327 70423,1329 22.2,1330 0.673,1331 0.539,1332 22.2,1333 17.803,1334 16.225,1335 0.427,1336 0.279,1337 10.358,1338 15.306,1339 10.204,1340 8.406,1341 16.225,1342 10.583,1343 14.825,1344 0.275,1345 0.143,1346 14.825,1347 7.724,1348 12.659,1349 0.171,1350 0.073,1351 12.659,1352 5.374,1353 11.559,1354 0.11,1355 0.037,1356 11.559,1357 3.891,1358 8.362,1359 0.068,1360 0.018,1361 8.362,1362 2.208,1363 0.23,1364 103.369,1365 0.194,1366 30.532,1367 0.408,1368 184,1369 553.895,1370 209.137,1371 534.67,1372 758.22,1373 506,1374 220,1375 597.096,1376 247.525,1377 593.994,1378 872.41,1379 561,1380 6.979}
{0 CHEMBL2172635,1 1.663,2 10.935,3 2.964,4 8.786,5 112.967,6 8.656,7 0.771,8 4.041,9 4.173,10 3.739,11 3.489,12 5.28,13 3.536,14 4.501,15 4.67,16 4.089,17 3.825,18 5.719,19 3.869,20 4.62,21 4.82,22 4.066,23 3.875,24 5.785,25 3.901,26 4.607,27 4.797,28 4.086,29 3.921,30 5.782,31 3.924,32 4.699,33 4.905,34 4.123,35 3.966,36 5.83,37 3.975,38 4.749,39 4.959,40 4.189,41 4.01,42 5.931,43 4.017,44 4.777,45 4.993,46 4.082,47 4.008,48 5.904,49 3.993,50 4.737,51 4.965,52 3.956,53 3.922,54 5.844,55 3.879,56 0.19,57 0.869,58 7.409,59 3.167,60 9.763,61 3.802,62 0.413,63 1.274,64 14.41,65 4.99,66 24.296,67 6.306,68 0.593,69 1.358,70 17.636,71 4.776,72 36.164,73 6.138,74 0.494,75 1.378,76 16.513,77 5.926,78 28.676,79 7.91,80 0.52,81 1.481,82 19.215,83 5.905,84 32.174,85 7.967,86 0.626,87 1.546,88 20.521,89 6.416,90 37.805,91 8.699,92 0.588,93 1.52,94 21.521,95 6.529,96 39.426,97 8.735,98 0.582,99 1.382,100 21.753,101 7.059,102 40.324,103 9.765,104 6,105 49,106 0.276,107 0.661,108 0.832,109 0.886,110 0.893,111 0.893,112 3.473,113 0.797,114 -4.88,115 -4.79,116 -4.49,119 39.6,120 1,124 1,142 5,144 1,145 2,146 1,147 4,149 1,151 1,152 1,161 1,166 2,168 1,172 1,174 2,175 10,178 4,180 4,186 3,187 5,190 2,191 1,198 5,199 5,202 4,204 3,207 2,211 3,212 4,215 2,217 1,220 1,223 6,224 10,227 4,228 1,229 1,232 4,236 2,237 4,240 2,242 3,245 2,249 5,250 6,253 2,255 4,258 2,262 3,263 1,266 2,267 1,268 1,271 1,275 1687,276 21.488,277 21.488,278 21.488,279 21.488,280 21.488,281 18.3,282 25.712,283 12.802,284 22.216,285 17.319,286 17.319,287 17.319,288 17.319,289 17.319,290 12.506,291 44.744,292 6.104,293 18.429,294 3.922,295 1.596,296 0.565,297 0.24,298 0.198,299 0.198,300 4.184,304 1,305 1,306 753,307 2.828,310 133.978,311 267.189,314 122.728,318 1.627,319 25.236,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 68.5,331 339,332 4.698,333 3.32,334 6.943,335 4.23,336 3.284,337 4.634,338 0.86,339 11.779,340 3.105,341 4.184,342 2.976,343 5.888,344 3.739,345 2.802,346 3.839,347 0.4,348 8.422,349 2.621,350 4.032,351 2.807,352 5.678,353 3.565,354 2.623,355 3.647,356 0.4,357 7.798,358 2.468,359 3.94,360 2.675,361 5.538,362 3.499,363 2.558,364 3.498,366 7.475,367 2.406,368 3.628,369 2.454,370 5.347,371 3.191,372 2.245,373 3.058,375 6.834,376 2.123,377 3.421,378 2.249,379 5.041,380 3.025,381 2.097,382 2.698,384 5.976,385 1.938,386 3.26,387 1.992,388 4.903,389 2.803,390 1.864,391 2.559,393 5.477,394 1.748,395 3.151,396 1.915,397 4.658,398 2.706,399 1.773,400 2.388,402 5.007,403 1.648,404 2.93,405 1.474,406 4.531,407 2.409,408 1.456,409 2.127,411 4.273,412 1.387,413 2.859,414 1.408,415 3.643,416 2.347,417 1.386,418 2.023,420 2.994,421 1.327,422 2.671,423 1.292,424 3.516,425 2.155,426 1.206,427 1.75,428 2.629,429 1.141,430 2.557,431 1.174,432 3.495,433 2.058,434 1.12,435 1.581,436 2.52,437 1.048,438 2.118,439 0.936,440 3.328,441 1.604,442 0.618,443 0.927,445 1.404,446 0.609,447 1.996,448 0.618,449 3,450 1.468,451 0.523,452 0.763,454 1.372,455 0.493,456 1.584,457 0.533,458 2.962,459 1.289,460 0.431,461 0.482,463 0.627,464 0.367,465 14.233,466 0.459,467 0.653,468 0.021,469 47.75,470 1.54,471 25.5,472 0.823,473 22.25,474 0.718,475 21.093,476 0.68,477 31.967,478 0.666,479 36.312,480 1.171,481 9.688,482 0.313,483 5.503,484 0.178,485 0.07,487 0.344,493 0.901,494 1.38,495 0.659,496 1.086,497 0.836,498 0.864,499 1.067,500 1.294,501 0.723,502 1.001,503 0.835,504 0.837,505 1.315,506 0.993,507 1.05,508 0.783,509 1.363,510 0.831,511 0.68,512 1.089,513 0.857,514 1.054,515 0.618,516 1.002,517 1.025,518 1.158,519 0.946,520 0.973,521 1.089,522 0.937,523 0.824,524 0.936,525 0.884,526 0.892,527 0.742,528 0.89,529 1.143,530 1.058,531 1.13,532 1.021,533 1.217,534 1.052,535 0.864,536 0.998,537 1.098,538 1.151,539 0.975,540 1.169,541 6,542 0.107,543 2,544 2.701,545 1.223,546 1.115,547 0.708,548 0.49,549 0.3,550 0.189,551 12901,552 38928,553 2.18,554 35.4,556 8,557 1,558 2,559 3,560 3,564 1.743,565 2.09,566 3.41,567 1.004,568 1,569 1,573 79.827,574 1.663,575 3.989,576 5.02,577 5.345,578 5.387,579 5.387,580 2.87,581 4.761,582 4.924,583 3.577,584 1663.46,585 8.636,586 23214.1,588 1,590 1,591 268.078,592 1.215,593 4.907,594 0.171,595 0.004,596 0.041,597 0.057,598 0.025,599 0.022,600 0.013,601 0.01,602 0.007,603 0.006,604 0.36,605 0.17,606 0.75,607 0.575,608 159.175,609 -0.025,610 -0.187,611 0.061,612 -0.113,613 -0.082,614 -0.025,615 -0.021,616 -0.201,617 0.124,618 -0.046,619 0.101,620 0.04,621 -0.234,622 0.086,623 -0.153,624 0.109,625 -0.333,626 0.022,627 0.177,628 -0.011,629 0.008,630 -0.081,631 0.226,632 -0.079,633 -0.125,634 -0.101,635 -0.044,636 -0.029,637 -0.165,638 -0.019,639 0.092,640 0.12,641 0.029,642 0.045,643 0.181,644 0.026,645 -0.215,646 -0.033,647 -0.198,648 -0.067,649 -0.236,650 -0.113,651 0.033,652 -0.027,653 -0.117,654 -0.161,655 -0.018,656 -0.17,657 1.172,658 1.701,659 0.839,660 30.368,661 1.023,662 1.145,663 3.649,664 13.312,665 0.683,666 3.584,667 3.912,668 4.205,669 4.543,670 4.754,671 4.913,672 5.094,673 5.283,674 5.352,675 5.455,676 6.581,677 0.678,678 415.47,679 3.584,680 5.13,681 5.989,682 6.88,683 7.758,684 8.66,685 9.548,686 10.456,687 11.351,688 12.262,689 22.9,697 4,699 7,703 1,704 8,705 7,706 1,709 8,711 27,724 2,729 1,731 48,733 27,735 35,737 52,738 19,739 17,746 5,747 6,752 1,761 17,762 2,778 1,781 17,782 10,783 3,784 12,787 1,790 11,794 0.8,795 1,803 1,804 2,806 1,811 2,812 3,815 1,840 4,844 2,848 31,855 2,856 1,870 2.1,875 1,877 14.833,878 9.433,879 6.778,880 2.597,881 5.011,882 1.615,883 1.03,884 5.06,885 13.155,886 3.902,887 4.559,888 5.19,889 5.858,890 6.37,891 6.76,892 7.262,893 7.779,894 8.12,895 8.544,896 1,897 47,898 11.303,900 4.767,901 7.726,902 21.223,904 16.877,905 2.226,906 69,909 1,910 164.795,911 118.344,912 170.857,914 11,917 118.344,918 175.795,919 170.857,920 19.708,922 56.429,923 142.266,924 93.271,925 23.84,926 129.482,928 164.795,929 289.201,930 11,933 167.123,934 11,937 85.241,938 84.624,939 117.009,941 164.795,942 181.857,943 118.344,946 164.795,947 24.112,948 95.396,949 52.685,950 128.009,951 164.795,952 181.857,953 118.344,955 0.575,956 0.336,957 0.196,958 0.104,959 25,960 10,961 0.115,962 6,963 1,964 1.077,965 4.237,966 294.89,967 0.077,968 26,969 153.58,974 19.212,975 8.164,976 3.978,977 0.667,978 164.03,979 13.958,980 30.288,981 2.776,984 4.666,986 52.685,987 464.996,988 48.5,999 49.098,1000 54.936,1001 0.298,1002 0.714,1003 0.899,1004 0.957,1005 0.965,1006 0.965,1007 5.122,1008 1.773,1009 5.964,1010 5.477,1011 4.595,1012 5.247,1013 1.138,1014 6.777,1015 4.474,1016 6.342,1017 1.456,1018 7.51,1019 5.007,1020 4.111,1021 5.007,1023 7.639,1024 3.924,1025 7.652,1026 1.386,1027 9.155,1028 4.273,1029 6.18,1030 7.504,1031 0.787,1032 10.786,1033 5.94,1034 9,1035 1.206,1036 10.861,1037 2.994,1038 6.538,1039 8.128,1041 12.551,1042 6.231,1043 10.38,1044 1.12,1045 12.608,1046 2.629,1047 8.048,1048 10.051,1049 0.602,1050 15.219,1051 7.692,1052 11.785,1053 0.618,1054 14.386,1055 2.52,1056 8.819,1057 11.114,1059 17.396,1060 8.399,1061 13.209,1062 0.523,1063 16.19,1064 1.404,1065 10.104,1066 12.792,1067 0.471,1068 19.915,1069 9.635,1070 3.284,1071 0.431,1072 18.014,1073 1.372,1074 11.081,1075 14.084,1077 22.267,1078 10.552,1079 2.802,1080 11.779,1081 19.856,1082 0.627,1083 12.28,1084 15.66,1085 0.367,1086 24.743,1087 11.7,1088 2.623,1089 8.422,1090 21.713,1091 4.634,1092 13.358,1093 17.069,1095 27.165,1096 12.72,1097 2.558,1098 7.798,1099 23.582,1100 3.839,1101 14.53,1102 18.605,1103 0.283,1104 29.631,1105 13.839,1106 2.245,1107 7.475,1108 25.464,1109 3.647,1110 15.657,1111 20.073,1113 32.08,1114 14.911,1115 2.097,1116 6.834,1117 27.354,1118 3.498,1119 16.824,1120 21.597,1121 0.217,1122 34.544,1123 16.025,1124 1.864,1125 5.976,1126 29.253,1127 3.058,1128 17.976,1129 23.095,1131 37.003,1132 17.122,1133 11991,1134 21025,1135 24.156,1136 32.801,1137 52.489,1138 52.296,1139 52.943,1140 51.978,1141 51.97,1142 71.947,1143 3.32,1144 149.175,1145 48.858,1146 5.5,1147 5.32,1148 6.624,1149 5.315,1150 5.284,1151 7.634,1152 1.72,1153 18.989,1154 5.049,1155 10.487,1156 1.5,1157 1.494,1158 1.513,1159 1.485,1160 1.485,1161 2.056,1162 0.095,1163 4.262,1164 1.396,1165 4.133,1166 4.189,1167 4.116,1168 3.948,1169 5.175,1170 3.984,1171 3.886,1172 3.94,1173 3.852,1174 3.705,1175 5.083,1176 3.734,1177 3.863,1178 3.935,1179 3.81,1180 3.649,1181 5.009,1182 3.679,1183 3.752,1184 3.801,1185 3.713,1186 3.59,1187 4.907,1188 3.613,1189 3.359,1190 3.419,1191 3.284,1192 3.215,1193 4.541,1194 3.225,1195 3.257,1196 3.331,1197 3.106,1198 3.023,1199 4.412,1200 3.023,1201 3.147,1202 3.236,1203 2.961,1204 2.9,1205 4.119,1206 2.903,1207 2.929,1208 3.018,1209 2.834,1210 2.698,1211 3.966,1212 2.716,1213 0.134,1214 0.095,1215 0.198,1216 0.121,1217 0.094,1218 4.698,1219 0.132,1220 3.32,1221 0.025,1222 6.943,1223 0.337,1224 4.23,1225 0.089,1226 3.284,1227 4.634,1228 0.86,1229 11.779,1230 3.105,1231 1.879,1232 1.833,1233 1.948,1234 2.075,1235 1.014,1236 2.039,1237 1.786,1238 1.74,1239 1.878,1240 1.987,1241 0.893,1242 1.955,1243 1.704,1244 1.666,1245 1.804,1246 1.891,1247 0.823,1248 1.865,1249 1.523,1250 1.472,1251 1.665,1252 1.726,1253 0.716,1254 1.699,1255 1.367,1256 1.295,1257 1.57,1258 1.686,1259 0.636,1260 1.649,1261 1.229,1262 1.145,1263 1.541,1264 1.512,1265 0.556,1266 1.525,1267 1.174,1268 1.092,1269 1.445,1270 1.44,1271 0.42,1272 1.463,1273 1.087,1274 1.006,1275 1.217,1276 1.338,1277 0.217,1278 1.318,1279 4.263,1281 5.587,1282 3.045,1283 7.099,1284 5.352,1285 8.701,1286 7.424,1287 10.354,1289 3.378,1296 6.352,1297 5.201,1305 32.531,1306 79.827,1307 191.449,1308 240.959,1309 256.568,1310 258.568,1311 258.568,1312 35.291,1313 8.144,1314 143.72,1315 143.72,1316 28,1317 12.78,1318 4.807,1319 3.858,1320 43.358,1321 119,1322 138,1323 0.173,1324 199.663,1325 319.07,1326 478.937,1327 41866,1329 21.209,1330 0.684,1331 0.536,1332 21.209,1333 16.605,1334 15.191,1335 0.434,1336 0.266,1337 9.08,1338 14.279,1339 8.892,1340 7.412,1341 15.191,1342 9.298,1343 13.649,1344 0.279,1345 0.132,1346 13.649,1347 6.478,1348 11.48,1349 0.174,1350 0.066,1351 11.48,1352 4.342,1353 10.361,1354 0.111,1355 0.033,1356 10.361,1357 3.063,1358 8.021,1359 0.07,1360 0.016,1361 8.021,1362 1.892,1363 0.268,1364 97.202,1365 0.203,1366 28.772,1367 0.49,1368 168,1369 549.895,1370 192.166,1371 532.582,1372 750.27,1373 502,1374 199,1375 589.301,1376 224.472,1377 588.413,1378 855.77,1379 553,1380 7.268}
{0 CHEMBL2172636,1 1.538,2 9.414,3 2.33,4 5.428,5 105.713,6 8.543,7 0.818,8 3.968,9 4.105,10 3.657,11 3.471,12 5.198,13 3.502,14 4.423,15 4.593,16 4.03,17 3.84,18 5.66,19 3.857,20 4.568,21 4.768,22 3.996,23 3.913,24 5.688,25 3.905,26 4.581,27 4.772,28 4.03,29 3.928,30 5.737,31 3.913,32 4.653,33 4.862,34 4.07,35 3.954,36 5.782,37 3.951,38 4.694,39 4.905,40 4.128,41 4,42 5.858,43 3.994,44 4.707,45 4.921,46 4.009,47 3.975,48 5.857,49 3.948,50 4.647,51 4.884,52 3.852,53 3.871,54 5.761,55 3.814,56 0.118,57 0.828,58 7.053,59 2.926,60 10.376,61 3.538,62 0.31,63 1.25,64 12.756,65 4.986,66 23.944,67 6.342,68 0.382,69 1.35,70 16.533,71 5.495,72 27.064,73 7.054,74 0.329,75 1.375,76 16.205,77 6.178,78 25.542,79 8.11,80 0.43,81 1.452,82 18.641,83 5.894,84 32.042,85 7.751,86 0.434,87 1.512,88 19.724,89 6.643,90 31.845,91 8.915,92 0.438,93 1.488,94 19.648,95 6.203,96 36.141,97 8.081,98 0.42,99 1.326,100 20.491,101 6.859,102 38.95,103 9.444,104 5,105 47,106 0.258,107 0.65,108 0.83,109 0.888,110 0.895,111 0.895,112 3.409,113 0.805,114 -5.1,115 -5,116 -4.68,119 42.2,120 1,142 5,143 2,145 2,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 5,174 4,175 8,177 2,178 4,180 2,183 4,186 2,187 5,190 1,191 1,195 3,198 3,199 5,201 1,202 3,204 2,207 2,209 1,211 3,212 9,214 1,215 2,217 2,220 1,223 3,224 9,226 1,227 3,228 1,229 2,231 1,232 1,236 1,237 7,240 2,242 4,245 4,247 2,249 3,250 7,252 1,253 2,255 6,258 4,260 3,263 2,266 1,267 1,268 3,270 1,271 2,273 1,275 1451,276 19.963,277 19.963,278 19.963,279 19.963,280 19.963,281 16.786,282 15.074,283 11.859,284 20.539,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 11.652,291 23.388,292 5.731,293 17.342,294 3.954,295 1.611,296 0.541,297 0.195,298 0.15,299 0.15,300 4.12,303 1,304 1,305 1,306 607,307 2.449,310 130.271,311 241.475,314 110.332,318 1.503,319 21.59,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 63,331 273,332 4.715,333 3.331,334 6.952,335 4.237,336 3.299,337 4.66,338 0.4,339 11.817,340 3.096,341 4.214,342 2.863,343 6.161,344 3.822,345 2.84,346 3.857,348 9.127,349 2.793,350 4.075,351 2.78,352 5.819,353 3.595,354 2.672,355 3.692,357 8.065,358 2.459,359 3.927,360 2.624,361 5.552,362 3.476,363 2.534,364 3.489,366 7.464,367 2.384,368 3.596,369 2.229,370 5.285,371 3.132,372 2.181,373 3.039,375 6.582,376 2.072,377 3.327,378 2.083,379 4.936,380 2.829,381 1.887,382 2.692,384 5.527,385 1.779,386 3.232,387 1.946,388 4.618,389 2.796,390 1.879,391 2.481,393 4.963,394 1.72,395 3.145,396 1.764,397 4.556,398 2.677,399 1.73,400 2.39,402 4.523,403 1.631,404 2.925,405 1.455,406 4.423,407 2.381,408 1.444,409 2.125,411 4.186,412 1.35,413 2.648,414 1.221,415 3.575,416 2.142,417 1.18,418 1.717,420 2.708,421 1.133,422 2.554,423 1.126,424 3.511,425 2.051,426 1.102,427 1.577,428 2.533,429 1.042,430 2.5,431 1,432 3.373,433 1.956,434 1,435 1.5,436 2.136,437 0.953,438 2.118,439 0.618,440 3.247,441 1.604,442 0.618,443 0.927,445 1.547,446 0.609,447 2.03,448 0.56,449 3,450 1.506,451 0.554,452 0.811,454 1.372,455 0.526,456 1.244,457 0.053,458 2.858,459 0.863,460 -0.064,461 -0.08,463 -0.183,464 -0.059,465 13.5,466 0.466,467 0.674,468 0.023,469 46,470 1.586,471 25,472 0.862,473 21,474 0.724,475 18.869,476 0.651,477 29.1,478 0.647,479 34.017,480 1.173,481 9.131,482 0.315,483 5.039,484 0.174,485 0.067,487 0.363,493 1.035,494 1.379,495 0.688,496 0.974,497 1.08,498 0.802,499 0.726,500 1.05,501 0.703,502 0.936,503 0.558,504 0.838,505 1.18,506 0.965,507 1.002,508 0.871,509 1.146,510 0.895,511 0.812,512 1.144,513 0.895,514 1.12,515 0.662,516 1.043,517 1.165,518 1.027,519 0.961,520 0.888,521 1.211,522 0.884,523 0.918,524 1.019,525 0.837,526 0.918,527 0.681,528 0.872,529 1.317,530 1.089,531 1.196,532 1.049,533 1.266,534 1.088,535 0.936,536 0.962,537 1.063,538 1.066,539 0.989,540 1.086,541 5.5,542 0.061,543 2.444,544 2.326,545 1.103,546 1.233,547 0.815,548 0.434,549 0.336,550 0.199,551 10359,552 29582,553 2.193,554 35.6,556 5,557 2,558 2,559 4,560 3,564 1.729,565 2.096,566 3.204,567 1.731,568 1,569 1,573 69.203,574 1.538,575 3.881,576 4.95,577 5.297,578 5.342,579 5.342,580 2.664,581 4.375,582 4.826,583 3.376,584 1370.64,585 8.459,586 18035.2,588 1,590 1,591 247.133,592 1.247,593 4.809,594 0.167,595 0.004,596 0.052,597 0.052,598 0.024,599 0.026,600 0.016,601 0.01,602 0.009,603 0.007,604 0.366,606 0.88,607 0.434,608 144.086,609 -0.135,610 -0.22,611 0.039,612 -0.042,613 -0.241,614 0.019,615 0.243,616 0.06,617 0.112,618 -0.002,619 0.265,620 0.022,621 -0.169,622 0.094,623 -0.113,624 0.066,625 -0.268,626 0.003,627 0.11,628 -0.103,629 -0.015,630 -0.151,631 0.168,632 -0.117,633 -0.11,634 0.016,635 -0.041,636 0.04,637 -0.229,638 0.018,639 0.085,640 0.004,641 0.094,642 0.035,643 0.23,644 0.06,645 -0.273,646 -0.06,647 -0.268,648 -0.117,649 -0.235,650 -0.177,651 0.018,652 -0.013,653 -0.059,654 -0.071,655 0.042,656 -0.079,657 1.517,658 1.879,659 0.897,660 26.863,661 1.015,662 1.138,663 3.871,664 14.986,665 0.696,666 3.526,667 3.871,668 4.174,669 4.522,670 4.754,671 4.949,672 5.165,673 5.38,674 5.493,675 5.606,676 5.911,677 0.684,678 384.45,679 3.526,680 5.081,681 5.948,682 6.847,683 7.734,684 8.644,685 9.543,686 10.46,687 11.366,688 12.287,689 22.2,693 1,697 3,699 6,702 1,703 1,704 9,705 6,706 1,709 8,711 27,722 1,724 1,731 45,733 27,735 33,737 49,738 19,739 18,746 5,747 6,752 1,761 18,762 1,777 1,778 1,781 16,782 8,783 4,784 10,787 1,790 10,794 0.8,803 1,805 2,811 2,812 3,815 1,840 4,844 1,848 29,849 1,855 1,877 13.833,878 8.483,879 6.222,880 2.474,881 4.19,882 1.527,883 1.065,884 4.244,885 12.144,886 3.861,887 4.538,888 5.19,889 5.874,890 6.426,891 6.883,892 7.451,893 8.003,894 8.425,895 8.885,896 1,897 45,898 10.588,900 4.532,901 7.707,902 19.979,904 16.25,905 2.207,906 64,909 1,910 141.253,911 114.45,912 169.448,917 114.45,918 141.253,919 169.448,920 8.825,922 98.373,923 125.848,924 65.082,925 32.854,926 94.169,928 141.253,929 283.898,933 145.909,937 66.495,938 112.157,939 100.591,941 141.253,942 169.448,943 114.45,946 141.253,947 22.054,948 93.683,949 34.674,950 133.488,951 141.253,952 169.448,953 114.45,955 0.582,956 0.336,957 0.196,958 0.104,959 25,960 10,961 0.082,962 4,963 1,964 1.077,965 4.034,966 275.565,967 0.077,968 26,969 140.881,974 17.437,975 7.058,976 3.336,977 0.724,978 151.499,979 16.88,980 25.929,981 2.777,984 4.908,986 67.571,987 425.151,988 46.5,999 45.669,1000 51.229,1001 0.28,1002 0.707,1003 0.901,1004 0.965,1005 0.973,1006 0.973,1007 5.086,1008 1.73,1009 5.932,1010 4.963,1011 4.554,1012 5.226,1013 0.278,1014 6.763,1015 4.442,1016 6.317,1017 1.444,1018 7.492,1019 4.523,1020 4.111,1021 5.007,1023 7.664,1024 3.941,1025 7.634,1026 1.18,1027 9.151,1028 4.186,1029 6.155,1030 7.502,1031 0.05,1032 10.82,1033 5.933,1034 8.99,1035 1.102,1036 10.872,1037 2.708,1038 6.553,1039 8.148,1041 12.615,1042 6.274,1043 10.377,1044 1,1045 12.635,1046 2.533,1047 8.051,1048 10.069,1049 0.008,1050 15.288,1051 7.722,1052 11.79,1053 0.618,1054 14.428,1055 2.136,1056 8.852,1057 11.149,1059 17.473,1060 8.465,1061 13.223,1062 0.554,1063 16.244,1064 1.547,1065 10.134,1066 12.828,1067 0.001,1068 19.991,1069 9.694,1070 3.299,1071 -0.064,1072 18.08,1073 1.372,1074 11.13,1075 14.133,1077 22.342,1078 10.63,1079 2.84,1080 11.817,1081 19.93,1082 -0.183,1083 12.331,1084 15.711,1086 24.816,1087 11.774,1088 2.672,1089 9.127,1090 21.794,1091 4.66,1092 13.421,1093 17.13,1095 27.234,1096 12.801,1097 2.534,1098 8.065,1099 23.669,1100 3.857,1101 14.596,1102 18.67,1104 29.698,1105 13.916,1106 2.181,1107 7.464,1108 25.553,1109 3.692,1110 15.73,1111 20.145,1113 32.145,1114 14.987,1115 1.887,1116 6.582,1117 27.445,1118 3.489,1119 16.901,1120 21.675,1122 34.608,1123 16.095,1124 1.879,1125 5.527,1126 29.343,1127 3.039,1128 18.059,1129 23.179,1131 37.067,1132 17.187,1133 9601,1134 16401,1135 22.77,1136 31.341,1137 50.557,1138 49.606,1139 50.278,1140 49.934,1141 49.844,1142 69.912,1143 0.8,1144 145.102,1145 47.094,1146 5.511,1147 5.331,1148 6.754,1149 5.337,1150 5.299,1151 7.66,1152 0.8,1153 19.032,1154 5.05,1155 9.806,1156 1.532,1157 1.503,1158 1.524,1159 1.513,1160 1.51,1161 2.119,1162 0.024,1163 4.397,1164 1.427,1165 4.16,1166 4.208,1167 4.14,1168 4.013,1169 5.268,1170 4.038,1171 3.881,1172 3.946,1173 3.831,1174 3.737,1175 5.081,1176 3.753,1177 3.838,1178 3.894,1179 3.794,1180 3.642,1181 4.981,1182 3.671,1183 3.756,1184 3.819,1185 3.714,1186 3.55,1187 4.872,1188 3.585,1189 3.339,1190 3.392,1191 3.272,1192 3.209,1193 4.683,1194 3.218,1195 3.166,1196 3.274,1197 2.991,1198 2.92,1199 4.283,1200 2.924,1201 2.965,1202 3.039,1203 2.873,1204 2.826,1205 4.01,1206 2.827,1207 2.857,1208 2.948,1209 2.747,1210 2.613,1211 3.825,1212 2.628,1213 0.143,1214 0.101,1215 0.211,1216 0.128,1217 0.1,1218 4.715,1219 0.141,1220 3.331,1221 0.012,1222 6.952,1223 0.358,1224 4.237,1225 0.094,1226 3.299,1227 4.66,1228 0.4,1229 11.817,1230 3.096,1231 1.975,1232 1.943,1233 2.051,1234 2.106,1235 1.17,1236 2.089,1237 1.761,1238 1.712,1239 1.851,1240 1.964,1241 0.888,1242 1.931,1243 1.678,1244 1.628,1245 1.794,1246 1.854,1247 0.797,1248 1.841,1249 1.523,1250 1.47,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.538,1258 1.686,1259 0.581,1260 1.65,1261 1.193,1262 1.105,1263 1.422,1264 1.449,1265 0.289,1266 1.469,1267 1.097,1268 1.006,1269 1.275,1270 1.389,1271 0.247,1272 1.367,1273 0.992,1274 0.942,1275 1.164,1276 1.167,1277 0.147,1278 1.163,1279 4.205,1281 5.541,1282 3.045,1283 7.066,1284 5.352,1285 8.681,1286 7.424,1287 10.347,1289 1.77,1293 5.879,1296 3.211,1305 30.794,1306 69.203,1307 174.63,1308 222.769,1309 238.379,1310 240.379,1311 240.379,1312 31.599,1313 7.954,1314 135.59,1315 135.59,1316 28,1317 12.798,1318 4.807,1319 3.858,1320 39.185,1321 97,1322 112,1323 0.189,1324 188.872,1325 299.28,1326 452.608,1327 29095,1329 19.794,1330 0.683,1331 0.531,1332 19.794,1333 15.404,1334 14.17,1335 0.429,1336 0.268,1337 8.692,1338 13.511,1339 8.524,1340 7.083,1341 14.17,1342 8.851,1343 13.032,1344 0.277,1345 0.135,1346 13.032,1347 6.346,1348 10.92,1349 0.171,1350 0.068,1351 10.92,1352 4.337,1353 9.981,1354 0.11,1355 0.034,1356 9.981,1357 3.109,1358 7.67,1359 0.067,1360 0.017,1361 7.67,1362 1.971,1363 0.287,1364 89.341,1365 0.21,1366 26.948,1367 0.555,1368 160,1369 473.494,1370 178.983,1371 469.766,1372 667.21,1373 442,1374 191,1375 526.522,1376 210.539,1377 531.192,1378 778.59,1379 501,1380 6.924}
{0 CHEMBL2172637,1 1.561,2 7.304,3 1.962,4 3.849,5 82.734,6 8.538,7 0.808,8 3.755,9 3.9,10 3.44,11 3.21,12 4.989,13 3.253,14 4.206,15 4.385,16 3.815,17 3.563,18 5.465,19 3.593,20 4.323,21 4.54,22 3.738,23 3.594,24 5.451,25 3.604,26 4.286,27 4.48,28 3.774,29 3.6,30 5.484,31 3.606,32 4.34,33 4.547,34 3.779,35 3.605,36 5.517,37 3.62,38 4.396,39 4.618,40 3.806,41 3.649,42 5.594,43 3.65,44 4.397,45 4.625,46 3.567,47 3.61,48 5.533,49 3.559,50 4.292,51 4.56,52 3.182,53 3.395,54 5.323,55 3.272,56 0.123,57 0.669,58 5.841,59 2.134,60 9.326,61 2.752,62 0.289,63 0.984,64 10.545,65 3.77,66 20.802,67 5.071,68 0.382,69 1.012,70 13.673,71 3.652,72 24.738,73 5.068,74 0.301,75 1.013,76 12.045,77 4.134,78 20.92,79 5.652,80 0.354,81 1.043,82 13.213,83 3.668,84 26.126,85 5.088,86 0.411,87 1.073,88 15.002,89 4.405,90 28.049,91 6.197,92 0.371,93 1.002,94 14.959,95 4.427,96 29.181,97 6.153,98 0.314,99 0.782,100 15.861,101 5.049,102 30.828,103 7.487,104 5,105 37,106 0.277,107 0.68,108 0.836,109 0.885,110 0.885,111 0.885,112 3.19,113 0.8,114 -4.83,115 -4.74,116 -4.45,119 38.9,120 1,142 4,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 2,174 4,175 6,177 2,178 4,180 2,183 1,186 2,187 2,190 1,191 1,198 3,199 3,201 1,202 3,204 2,209 1,211 2,212 6,214 1,215 2,217 2,223 3,224 6,226 1,227 3,228 1,229 1,231 1,232 1,237 4,240 2,242 3,245 4,247 2,249 1,250 3,252 1,253 1,255 4,258 2,260 2,266 1,267 1,268 1,270 1,275 752,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.223,282 15.074,283 9.361,284 16.259,285 12.909,286 12.909,287 12.909,288 12.909,289 12.909,290 9.173,291 23.388,292 4.517,293 13.787,294 3.609,295 1.341,296 0.465,297 0.188,298 0.188,299 0.188,300 3.887,303 1,304 1,305 1,306 369,307 2.236,310 94.981,311 117.017,314 84.741,318 1.1,319 17.994,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 50.5,331 168,332 4.697,333 3.317,334 6.943,335 4.218,336 3.282,337 4.633,338 0.4,339 11.776,340 3.069,341 4.124,342 2.798,343 5.854,344 3.616,345 2.7,346 3.798,348 8.163,349 2.475,350 3.941,351 2.672,352 5.556,353 3.498,354 2.558,355 3.498,357 7.486,358 2.403,359 3.611,360 2.258,361 5.286,362 3.154,363 2.204,364 3.047,366 6.59,367 2.092,368 3.262,369 2.084,370 4.933,371 2.799,372 1.879,373 2.565,375 5.507,376 1.731,377 3.232,378 1.94,379 4.618,380 2.786,381 1.863,382 2.481,384 4.963,385 1.712,386 2.93,387 1.471,388 4.526,389 2.396,390 1.455,391 2.128,393 4.258,394 1.37,395 2.859,396 1.407,397 3.643,398 2.357,399 1.386,400 2.023,402 2.994,403 1.339,404 2.557,405 1.175,406 3.514,407 2.057,408 1.12,409 1.581,411 2.52,412 1.047,413 2.118,414 0.618,415 3.327,416 1.604,417 0.618,418 0.927,420 1.401,421 0.609,422 1.996,423 0.531,424 3,425 1.471,426 0.522,427 0.762,428 1.372,429 0.494,430 1.177,431 0.006,432 2.775,433 0.799,434 -0.124,435 -0.157,436 -0.353,437 -0.114,438 1,439 -0.127,440 2.546,441 0.572,442 -0.347,443 -0.445,445 -0.891,446 -0.318,447 0.876,448 -0.266,449 2.382,450 0.452,451 -0.469,452 -0.587,454 -1.189,455 -0.432,456 0.632,457 -0.651,458 2.249,459 0.183,460 -0.76,461 -0.952,463 -1.947,464 -0.714,465 10.6,466 0.461,467 0.554,468 0.024,469 36,470 1.565,471 19,472 0.826,473 17,474 0.739,475 13.801,476 0.6,477 23.6,478 0.656,479 24.41,480 1.061,481 7.177,482 0.312,483 4.026,484 0.175,485 0.085,487 0.368,493 1.082,494 1.479,495 0.698,496 1.015,497 1.141,498 0.815,499 0.662,500 1.131,501 0.66,502 1.003,503 0.475,504 0.862,505 1.295,506 0.933,507 1.006,508 0.761,509 1.23,510 0.808,511 0.83,512 1.168,513 0.857,514 1.103,515 0.634,516 1.007,517 1.255,518 1.165,519 1.016,520 0.966,521 1.335,522 0.942,523 0.979,524 0.919,525 0.902,526 0.864,527 0.732,528 0.866,529 1.299,530 1.041,531 1.339,532 1.147,533 1.328,534 1.233,535 0.843,536 0.988,537 1.203,538 1.284,539 1.056,540 1.317,541 4.5,543 1.778,544 2.201,545 0.961,546 0.816,547 0.548,548 0.28,549 0.143,550 0.056,551 5286,552 15496,553 2.168,554 36.1,556 4,557 2,559 4,560 3,564 1.667,565 2.06,566 2.902,567 1.951,568 1,569 1,571 1,573 56.179,574 1.561,575 3.829,576 4.705,577 4.982,578 4.982,579 4.982,580 2.248,581 3.969,582 4.495,583 3.056,584 773.217,585 7.79,586 8662.14,587 1,588 1,590 1,591 186.117,592 1.302,593 4.469,594 0.173,596 0.048,597 0.065,598 0.027,599 0.023,600 0.015,601 0.01,602 0.008,603 0.009,604 0.38,605 0.17,606 1,607 0.503,608 104.682,609 -0.177,610 -0.287,611 0.033,612 -0.062,613 -0.291,614 0.016,615 0.308,616 -0.011,617 0.165,618 -0.059,619 0.344,620 0.007,621 -0.231,622 0.119,623 -0.096,624 0.15,625 -0.315,626 0.074,627 0.117,628 -0.094,629 0.005,630 -0.142,631 0.231,632 -0.102,633 -0.197,634 -0.098,635 -0.13,636 -0.062,637 -0.298,638 -0.078,639 0.047,640 0.107,641 0.028,642 0.073,643 0.217,644 0.051,645 -0.328,646 -0.043,647 -0.403,648 -0.19,649 -0.308,650 -0.292,651 0.008,652 -0.137,653 -0.137,654 -0.233,655 -0.032,656 -0.22,657 1.496,658 1.766,659 0.87,660 16.578,661 1.019,662 1.148,663 3.601,664 12.967,665 0.683,666 3.296,667 3.638,668 3.932,669 4.29,670 4.477,671 4.644,672 4.796,673 4.949,674 4.927,675 4.913,676 4.913,677 0.674,678 307.36,679 3.296,680 4.844,681 5.707,682 6.608,683 7.493,684 8.404,685 9.3,686 10.217,687 11.119,688 12.039,689 25,693 1,697 3,699 5,702 1,703 1,704 6,705 5,706 1,709 6,711 21,722 1,724 1,731 36,733 21,735 26,737 39,738 14,739 13,746 4,747 5,752 1,761 13,762 1,777 1,778 1,781 13,782 7,783 4,784 9,787 1,790 9,794 0.75,803 1,805 1,811 2,812 2,815 1,840 3,844 1,848 23,849 1,855 1,877 11.167,878 6.783,879 4.944,880 1.944,881 3.893,882 1.537,883 1.057,884 3.261,885 11.138,886 3.624,887 4.304,888 4.951,889 5.64,890 6.136,891 6.561,892 7.057,893 7.555,894 7.828,895 8.179,896 0.8,897 34,898 8.383,900 3.566,901 7.746,902 15.731,904 12.643,905 2.246,906 51.667,910 105.94,911 80.508,912 152.663,917 80.508,918 105.94,919 152.663,920 8.825,922 88.897,923 85.52,924 40.616,925 32.854,926 82.398,928 105.94,929 233.17,933 110.596,937 48.4,938 96.31,939 83.805,941 105.94,942 152.663,943 80.508,946 105.94,947 15.683,948 66.112,949 34.674,950 116.702,951 105.94,952 152.663,953 80.508,955 0.581,956 0.335,957 0.201,958 0.105,959 20,960 8,961 0.077,962 3,963 1,964 1.1,965 3.504,966 196.37,967 0.1,968 20,969 102.042,974 13.818,975 5.427,976 2.544,977 0.761,978 134.713,979 11.147,980 21.314,981 2.753,984 3.099,986 67.571,987 339.11,988 36.5,999 36.683,1000 41.315,1001 0.302,1002 0.741,1003 0.91,1004 0.964,1005 0.964,1006 0.964,1007 4.846,1008 1.386,1009 5.694,1010 4.258,1011 4.317,1012 4.99,1013 0.278,1014 6.526,1015 4.185,1016 6.08,1017 1.12,1018 7.253,1019 2.994,1020 3.892,1021 4.808,1023 7.438,1024 3.675,1025 7.399,1026 0.618,1027 8.914,1028 2.52,1029 5.916,1030 7.279,1031 0.05,1032 10.603,1033 5.644,1034 8.758,1035 0.522,1036 10.637,1037 1.401,1038 6.33,1039 7.966,1041 12.425,1042 5.973,1043 10.15,1044 -0.124,1045 12.404,1046 1.372,1047 7.819,1048 9.868,1049 0.008,1050 15.111,1051 7.406,1052 11.567,1053 -0.347,1054 14.202,1055 -0.353,1056 8.638,1057 10.988,1059 17.325,1060 8.147,1061 13.005,1062 -0.469,1063 16.025,1064 -0.891,1065 9.918,1066 12.656,1067 0.001,1068 19.858,1069 9.367,1070 3.282,1071 -0.76,1072 17.869,1073 -1.189,1074 10.932,1075 13.99,1077 22.23,1078 10.308,1079 2.7,1080 11.776,1081 19.729,1082 -1.947,1083 12.135,1084 15.564,1086 24.714,1087 11.448,1088 2.558,1089 8.163,1090 21.603,1091 4.633,1092 13.238,1093 17.001,1095 27.145,1096 12.482,1097 2.204,1098 7.486,1099 23.489,1100 3.798,1101 14.419,1102 18.54,1104 29.616,1105 13.598,1106 1.879,1107 6.59,1108 25.384,1109 3.498,1110 15.563,1111 20.025,1113 32.068,1114 14.675,1115 1.863,1116 5.507,1117 27.287,1118 3.047,1119 16.739,1120 21.553,1122 34.535,1123 15.785,1124 1.455,1125 4.963,1126 29.196,1127 2.565,1128 17.903,1129 23.061,1131 36.996,1132 16.883,1133 5007,1134 8721,1135 17.8,1136 24.574,1137 39.769,1138 38.949,1139 39.784,1140 39.268,1141 39.174,1142 54.886,1143 0.8,1144 114.06,1145 36.682,1146 5.493,1147 5.317,1148 6.624,1149 5.318,1150 5.282,1151 7.633,1152 0.8,1153 18.981,1154 5.011,1155 8.319,1156 1.53,1157 1.498,1158 1.53,1159 1.51,1160 1.507,1161 2.111,1162 0.031,1163 4.387,1164 1.411,1165 4.141,1166 4.193,1167 4.119,1168 3.973,1169 5.268,1170 4.003,1171 3.865,1172 3.938,1173 3.811,1174 3.654,1175 5.078,1176 3.683,1177 3.784,1178 3.852,1179 3.752,1180 3.569,1181 4.972,1182 3.606,1183 3.37,1184 3.428,1185 3.293,1186 3.229,1187 4.688,1188 3.24,1189 3.166,1190 3.275,1191 2.99,1192 2.915,1193 4.334,1194 2.921,1195 2.951,1196 3.035,1197 2.853,1198 2.777,1199 4.01,1200 2.781,1201 2.806,1202 2.906,1203 2.677,1204 2.511,1205 3.768,1206 2.545,1207 2.75,1208 2.864,1209 2.608,1210 2.453,1211 3.725,1212 2.482,1213 0.181,1214 0.128,1215 0.267,1216 0.162,1217 0.126,1218 4.697,1219 0.178,1220 3.317,1221 0.015,1222 6.943,1223 0.453,1224 4.218,1225 0.118,1226 3.282,1227 4.633,1228 0.4,1229 11.776,1230 3.069,1231 1.908,1232 1.864,1233 1.998,1234 2.077,1235 1.085,1236 2.053,1237 1.717,1238 1.663,1239 1.815,1240 1.937,1241 0.812,1242 1.904,1243 1.524,1244 1.471,1245 1.666,1246 1.73,1247 0.715,1248 1.702,1249 1.371,1250 1.3,1251 1.539,1252 1.686,1253 0.583,1254 1.65,1255 1.193,1256 1.105,1257 1.423,1258 1.45,1259 0.275,1260 1.469,1261 1.097,1262 1.003,1263 1.275,1264 1.389,1265 0.201,1266 1.367,1267 0.944,1268 0.88,1269 1.13,1270 1.173,1271 0.117,1272 1.164,1273 0.739,1274 0.658,1275 1,1276 1.025,1278 1.027,1279 3.97,1281 5.303,1282 3.045,1283 6.821,1284 5.352,1285 8.432,1286 7.424,1287 10.097,1289 1.769,1293 5.766,1296 3.164,1305 24.246,1306 56.179,1307 137.853,1308 169.362,1309 179.362,1310 179.362,1311 179.362,1312 22.885,1313 7.246,1314 122.7,1315 122.7,1316 22,1317 12.551,1318 4.459,1319 3.524,1320 31.482,1321 64,1322 64,1323 0.235,1324 150.292,1325 232.96,1326 358.472,1327 12471,1329 15.811,1330 0.687,1331 0.532,1332 15.811,1333 12.225,1334 11.204,1335 0.431,1336 0.267,1337 6.788,1338 10.616,1339 6.664,1340 5.545,1341 11.204,1342 6.93,1343 10.345,1344 0.28,1345 0.132,1346 10.345,1347 4.887,1348 8.482,1349 0.17,1350 0.065,1351 8.482,1352 3.253,1353 7.917,1354 0.11,1355 0.033,1356 7.917,1357 2.356,1358 5.828,1359 0.067,1360 0.016,1361 5.828,1362 1.419,1363 0.35,1364 71.043,1365 0.237,1366 21.949,1367 0.707,1368 126,1369 385.849,1370 143.596,1371 380.879,1372 541.01,1373 358,1374 150,1375 430.409,1376 167.874,1377 431.128,1378 633.13,1379 407,1380 6.229}
{0 CHEMBL2172638,1 1.633,2 9.467,3 3.686,4 13.585,5 108.086,6 8.727,7 0.794,8 3.99,9 4.121,10 3.689,11 3.503,12 5.241,13 3.535,14 4.45,15 4.611,16 4.078,17 3.875,18 5.734,19 3.896,20 4.62,21 4.816,22 4.074,23 3.947,24 5.83,25 3.953,26 4.629,27 4.812,28 4.108,29 3.958,30 5.896,31 3.962,32 4.696,33 4.896,34 4.127,35 3.985,36 5.916,37 3.991,38 4.738,39 4.947,40 4.175,41 4.03,42 5.94,43 4.03,44 4.741,45 4.95,46 4.086,47 4.007,48 5.964,49 3.992,50 4.686,51 4.915,52 3.951,53 3.903,54 5.922,55 3.86,56 0.146,57 0.888,58 6.785,59 3.182,60 11.556,61 3.619,62 0.327,63 1.362,64 12.372,65 5.504,66 22.981,67 6.627,68 0.471,69 1.537,70 17.291,71 6.177,72 37.241,73 7.296,74 0.439,75 1.581,76 16.654,77 6.78,78 37.14,79 8.027,80 0.584,81 1.632,82 19.109,83 6.501,84 48.671,85 7.75,86 0.53,87 1.649,88 20.574,89 7.232,90 40.296,91 9.2,92 0.538,93 1.644,94 19.838,95 6.694,96 45.102,97 8.298,98 0.579,99 1.491,100 20.818,101 7.135,102 53.839,103 9.64,104 10,105 49,106 0.273,107 0.65,108 0.805,109 0.883,110 0.898,111 0.898,112 3.442,113 0.804,114 -6.17,115 -6.01,116 -5.59,119 43.5,120 1,142 7,143 2,144 1,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 7,174 4,175 6,177 2,178 4,180 2,183 7,186 2,187 3,190 1,191 1,195 6,198 3,199 4,201 1,202 3,204 2,207 4,209 1,211 2,212 9,214 1,215 2,217 2,220 3,223 3,224 10,226 1,227 3,228 1,229 2,231 1,232 2,237 8,240 2,242 4,245 4,247 2,249 1,250 10,252 1,253 1,255 7,258 4,260 3,263 4,266 1,267 1,268 4,270 1,271 2,273 1,275 1558,276 20.463,277 20.463,278 20.463,279 20.463,280 20.463,281 17.233,282 16.702,283 12.018,284 21.025,285 16.847,286 16.847,287 16.847,288 16.847,289 16.847,290 12.041,291 24.05,292 5.775,293 17.823,294 3.891,295 1.629,296 0.704,297 0.234,298 0.147,299 0.147,300 4.15,304 1,305 1,306 628,307 2.55,310 135.464,311 250.41,314 113.97,318 1.502,319 31.306,322 0.75,323 0.67,324 1,325 0.4,327 1,328 1,329 0.69,330 66,331 284,332 4.718,333 3.34,334 6.953,335 4.242,336 3.302,337 4.662,338 0.4,339 11.822,340 3.105,341 4.327,342 3.166,343 6.447,344 3.942,345 2.966,346 3.974,348 9.94,349 2.888,350 4.111,351 2.799,352 5.856,353 3.608,354 2.691,355 3.776,357 8.162,358 2.468,359 3.938,360 2.683,361 5.559,362 3.493,363 2.552,364 3.497,366 7.497,367 2.398,368 3.644,369 2.378,370 5.291,371 3.186,372 2.233,373 3.103,375 6.618,376 2.124,377 3.397,378 2.126,379 5.055,380 2.935,381 1.984,382 2.761,384 5.821,385 1.882,386 3.232,387 2.076,388 4.906,389 2.796,390 1.879,391 2.481,393 5.319,394 1.721,395 3.162,396 1.903,397 4.618,398 2.716,399 1.783,400 2.402,402 4.963,403 1.657,404 2.925,405 1.589,406 4.53,407 2.382,408 1.444,409 2.125,411 4.264,412 1.354,413 2.862,414 1.455,415 3.916,416 2.38,417 1.414,418 2.018,420 3.137,421 1.35,422 2.628,423 1.217,424 3.586,425 2.138,426 1.168,427 1.687,428 2.799,429 1.133,430 2.552,431 1.114,432 3.572,433 2.052,434 1.094,435 1.575,436 2.538,437 1.043,438 2.118,439 0.618,440 3.376,441 1.604,442 0.618,443 0.927,445 1.557,446 0.609,447 2.037,448 0.578,449 3,450 1.515,451 0.563,452 0.821,454 1.372,455 0.534,456 1.295,457 0.337,458 2.876,459 0.917,460 -0.009,461 -0.011,463 -0.023,464 -0.008,465 13.886,466 0.463,467 0.763,468 0.025,469 46.25,470 1.542,471 25,472 0.833,473 21.25,474 0.708,475 20.562,476 0.685,477 30.514,478 0.663,479 35.806,480 1.194,481 9.269,482 0.309,483 5.311,484 0.177,485 0.085,487 0.389,491 1,493 0.809,494 1.183,495 0.661,496 0.937,497 0.718,498 0.789,499 0.625,500 1.012,501 0.659,502 0.974,503 0.533,504 0.862,505 1.131,506 0.999,507 0.969,508 0.869,509 1.045,510 0.867,511 1.033,512 1.18,513 0.929,514 1.108,515 1.016,516 1.028,517 1.182,518 1.038,519 1.028,520 0.919,521 1.238,522 0.927,523 0.853,524 0.944,525 0.832,526 0.885,527 0.692,528 0.854,529 1.024,530 1.015,531 1.112,532 1.024,533 0.852,534 1.059,535 0.707,536 0.905,537 0.992,538 1.073,539 0.666,540 1.093,541 6,542 0.099,543 2.889,544 2.764,545 1.294,546 1.261,547 0.881,548 0.569,549 0.336,550 0.298,551 11148,552 33891,553 2.165,554 34.8,556 7,557 2,559 4,560 3,564 1.737,565 2.045,566 3.216,567 1.697,569 1,573 75.116,574 1.633,575 3.895,576 4.819,577 5.29,578 5.377,579 5.377,580 2.641,581 4.507,582 4.877,583 3.394,584 1476.34,585 8.559,586 19892.2,588 1,590 1,591 254.084,592 1.347,593 4.848,594 0.176,595 0.005,596 0.059,597 0.058,598 0.026,599 0.025,600 0.017,601 0.012,602 0.008,603 0.01,604 0.396,606 0.75,607 0.496,608 150.651,609 -0.104,610 -0.14,611 0.027,612 -0.011,613 -0.141,614 0.034,615 0.161,616 0.004,617 0.122,618 -0.04,619 0.112,620 0.005,621 -0.151,622 0.036,623 -0.078,624 0.071,625 -0.132,626 0.033,627 -0.017,628 -0.106,629 -0.05,630 -0.14,631 0.014,632 -0.118,633 -0.121,634 0.021,635 -0.116,636 0.012,637 -0.199,638 -0.035,639 0.015,640 0.004,641 0.092,642 0.058,643 0.051,644 0.085,645 -0.14,646 -0.058,647 -0.2,648 -0.1,649 -0.07,650 -0.144,651 0.15,652 -0.003,653 -0.004,654 -0.095,655 0.149,656 -0.091,657 1.978,658 6.364,659 0.867,660 27.933,661 1.021,662 1.141,663 4.942,664 24.419,665 0.696,666 3.555,667 3.912,668 4.22,669 4.564,670 4.787,671 4.984,672 5.204,673 5.429,674 5.541,675 5.673,676 6.011,677 0.689,678 401.45,679 3.555,680 5.118,681 5.989,682 6.893,683 7.783,684 8.696,685 9.597,686 10.516,687 11.423,688 12.346,689 19.6,693 1,697 3,699 5,702 1,703 1,704 9,705 5,706 1,709 9,711 27,722 1,724 1,730 1,731 46,733 27,734 1,735 34,737 50,738 20,739 19,740 2,741 4,746 5,747 6,752 1,761 19,762 1,778 1,779 1,781 16,782 8,783 4,784 10,787 1,790 9,794 0.8,803 1,805 1,811 2,812 3,815 1,840 4,844 1,846 1,848 30,849 1,855 1,869 1,877 14.667,878 8.676,879 6.417,880 2.55,881 4.233,882 1.526,883 1.067,884 4.471,885 12.277,886 3.882,887 4.57,888 5.223,889 5.905,890 6.453,891 6.913,892 7.48,893 8.041,894 8.461,895 8.931,896 1,897 48,898 11.019,900 4.804,901 7.856,902 20.529,904 16.808,905 2.356,906 70.667,909 1,910 141.253,911 124.429,912 152.663,915 14.96,917 124.429,918 141.253,919 167.623,920 8.825,922 117.326,923 85.52,924 56.108,925 47.814,926 117.711,928 141.253,929 277.091,930 14.96,933 160.869,937 48.4,938 140.231,939 83.805,941 156.213,942 152.663,943 124.429,946 141.253,947 31.175,948 94.54,949 34.674,950 131.662,951 141.253,952 167.623,953 124.429,955 0.587,956 0.342,957 0.198,958 0.103,959 26,960 11,961 0.08,962 4,963 1,964 1.077,965 4.064,966 290.056,967 0.077,968 26,969 147.207,974 18.372,975 7.301,976 3.446,977 0.625,978 149.673,979 15.469,980 21.524,981 2.748,984 3.391,986 67.571,987 433.305,988 47.5,999 46.963,1000 52.485,1001 0.296,1002 0.705,1003 0.872,1004 0.958,1005 0.973,1006 0.973,1007 5.116,1008 1.783,1009 5.984,1010 5.319,1011 4.595,1012 5.257,1013 0.278,1014 6.828,1015 4.483,1016 6.356,1017 1.444,1018 7.555,1019 4.963,1020 4.205,1021 5.094,1023 7.761,1024 4.019,1025 7.681,1026 1.414,1027 9.226,1028 4.264,1029 6.213,1030 7.546,1031 0.05,1032 10.914,1033 5.991,1034 9.044,1035 1.168,1036 10.957,1037 3.137,1038 6.648,1039 8.227,1041 12.723,1042 6.357,1043 10.438,1044 1.094,1045 12.729,1046 2.799,1047 8.126,1048 10.124,1049 0.008,1050 15.396,1051 7.798,1052 11.856,1053 0.618,1054 14.53,1055 2.538,1056 8.951,1057 11.225,1059 17.582,1060 8.559,1061 13.293,1062 0.563,1063 16.353,1064 1.557,1065 10.224,1066 12.89,1067 0.001,1068 20.098,1069 9.789,1070 3.302,1071 -0.009,1072 18.194,1073 1.372,1074 11.233,1075 14.203,1077 22.442,1078 10.737,1079 2.966,1080 11.822,1081 20.05,1082 -0.023,1083 12.429,1084 15.773,1086 24.911,1087 11.885,1088 2.691,1089 9.94,1090 21.917,1091 4.662,1092 13.524,1093 17.193,1095 27.321,1096 12.92,1097 2.552,1098 8.162,1099 23.795,1100 3.974,1101 14.697,1102 18.727,1104 29.778,1105 14.04,1106 2.233,1107 7.497,1108 25.681,1109 3.776,1110 15.832,1111 20.201,1113 32.216,1114 15.115,1115 1.984,1116 6.618,1117 27.573,1118 3.497,1119 17.001,1120 21.725,1122 34.673,1123 16.227,1124 1.879,1125 5.821,1126 29.472,1127 3.103,1128 18.157,1129 23.226,1131 37.124,1132 17.323,1133 10392,1134 18289,1135 23.175,1136 32.034,1137 52.185,1138 51.769,1139 52.624,1140 51.544,1141 51.385,1142 71.618,1143 0.8,1144 151.618,1145 48.53,1146 5.514,1147 5.34,1148 6.638,1149 5.342,1150 5.302,1151 7.662,1152 0.8,1153 19.043,1154 5.105,1155 12.304,1156 1.535,1157 1.523,1158 1.548,1159 1.516,1160 1.511,1161 2.106,1162 0.024,1163 4.459,1164 1.427,1165 4.163,1166 4.209,1167 4.143,1168 4.023,1169 8.201,1170 4.045,1171 3.899,1172 3.95,1173 3.857,1174 3.791,1175 5.268,1176 3.803,1177 3.851,1178 3.908,1179 3.803,1180 3.648,1181 5.077,1182 3.677,1183 3.767,1184 3.83,1185 3.73,1186 3.559,1187 4.969,1188 3.595,1189 3.346,1190 3.397,1191 3.279,1192 3.223,1193 4.695,1194 3.232,1195 3.166,1196 3.275,1197 2.991,1198 2.923,1199 4.636,1200 2.926,1201 2.97,1202 3.041,1203 2.882,1204 2.832,1205 4.262,1206 2.834,1207 2.901,1208 2.964,1209 2.823,1210 2.733,1211 4.009,1212 2.734,1213 0.139,1214 0.098,1215 0.205,1216 0.125,1217 0.097,1218 4.718,1219 0.137,1220 3.34,1221 0.012,1222 6.953,1223 0.348,1224 4.242,1225 0.091,1226 3.302,1227 4.662,1228 0.4,1229 11.822,1230 3.105,1231 1.991,1232 1.964,1233 2.066,1234 2.109,1235 1.193,1236 2.093,1237 1.789,1238 1.748,1239 1.88,1240 1.969,1241 0.959,1242 1.939,1243 1.697,1244 1.647,1245 1.805,1246 1.869,1247 0.807,1248 1.858,1249 1.523,1250 1.471,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.538,1258 1.686,1259 0.582,1260 1.65,1261 1.193,1262 1.105,1263 1.422,1264 1.45,1265 0.295,1266 1.469,1267 1.098,1268 1.009,1269 1.275,1270 1.389,1271 0.248,1272 1.367,1273 1.003,1274 0.953,1275 1.165,1276 1.173,1277 0.158,1278 1.167,1279 4.234,1281 5.58,1282 3.045,1283 7.112,1284 5.352,1285 8.736,1286 7.424,1287 10.411,1289 1.732,1291 14.364,1293 5.857,1296 3.16,1305 31.683,1306 75.116,1307 179.148,1308 221.677,1309 243.329,1310 247.329,1311 247.329,1312 42.334,1313 8.044,1314 122.7,1315 122.7,1316 28,1317 12.856,1318 4.807,1319 3.858,1320 41.159,1321 103,1322 109,1323 0.189,1324 192.868,1325 311.65,1326 462.359,1327 32468,1328 2.2,1329 20.665,1330 0.689,1331 0.528,1332 19.794,1333 15.835,1334 14.581,1335 0.429,1336 0.268,1337 8.94,1338 13.885,1339 8.781,1340 7.276,1341 14.17,1342 9.107,1343 13.56,1344 0.277,1345 0.134,1346 13.032,1347 6.584,1348 11.386,1349 0.17,1350 0.068,1351 10.92,1352 4.527,1353 10.381,1354 0.109,1355 0.034,1356 9.981,1357 3.26,1358 7.888,1359 0.066,1360 0.017,1361 7.67,1362 2.066,1363 0.286,1364 92.171,1365 0.208,1366 27.669,1367 0.553,1368 166,1369 547.96,1370 187.426,1371 514.514,1372 717.78,1373 482,1374 199,1375 556.742,1376 220.532,1377 554.993,1378 816.92,1379 524,1380 6.188}
{0 CHEMBL2172639,1 1.633,2 9.5,3 3.686,4 13.585,5 108.086,6 8.727,7 0.794,8 3.99,9 4.121,10 3.689,11 3.503,12 5.241,13 3.535,14 4.45,15 4.611,16 4.078,17 3.875,18 5.742,19 3.896,20 4.62,21 4.817,22 4.051,23 3.948,24 5.812,25 3.948,26 4.619,27 4.806,28 4.081,29 3.96,30 5.832,31 3.953,32 4.687,33 4.889,34 4.119,35 3.985,36 5.876,37 3.989,38 4.743,39 4.951,40 4.181,41 4.03,42 5.972,43 4.03,44 4.74,45 4.95,46 4.058,47 4.007,48 5.929,49 3.989,50 4.685,51 4.913,52 3.942,53 3.902,54 5.878,55 3.864,56 0.146,57 0.888,58 6.785,59 3.182,60 11.545,61 3.619,62 0.327,63 1.362,64 12.372,65 5.504,66 22.529,67 6.627,68 0.492,69 1.512,70 17.369,71 6.178,72 41.168,73 7.252,74 0.404,75 1.51,76 16.459,77 6.742,78 32.259,79 8.309,80 0.486,81 1.583,82 18.8,83 6.476,84 39.489,85 7.983,86 0.6,87 1.675,88 20.746,89 7.238,90 43.837,91 9.13,92 0.517,93 1.616,94 19.881,95 6.709,96 43.758,97 8.162,98 0.495,99 1.485,100 20.747,101 7.164,102 47.186,103 9.455,104 10,105 49,106 0.273,107 0.65,108 0.812,109 0.891,110 0.898,111 0.898,112 3.442,113 0.803,114 -6.17,115 -6.01,116 -5.59,119 43.5,120 1,142 7,143 2,144 1,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 7,174 4,175 6,177 2,178 4,180 2,183 8,186 2,187 3,190 1,191 1,195 6,198 3,199 5,201 1,202 3,204 2,207 4,209 1,211 2,212 8,214 1,215 2,217 2,220 2,223 3,224 11,226 1,227 3,228 1,229 2,231 1,232 2,237 9,240 2,242 5,245 4,247 2,249 1,250 8,252 1,253 1,255 6,258 4,260 3,263 6,266 1,267 1,268 5,270 1,271 4,273 2,275 1574,276 20.411,277 20.411,278 20.411,279 20.411,280 20.411,281 17.209,282 16.702,283 11.982,284 20.984,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 12.063,291 24.05,292 5.787,293 17.853,294 3.891,295 1.629,296 0.661,297 0.19,298 0.147,299 0.147,300 4.15,304 1,305 1,306 630,307 2.55,310 136.529,311 251.709,314 115.085,318 1.533,319 30.191,322 0.75,323 0.67,324 1,325 0.4,327 1,328 1,329 0.69,330 66,331 285,332 4.716,333 3.332,334 6.952,335 4.238,336 3.3,337 4.66,338 0.4,339 11.817,340 3.098,341 4.245,342 3.004,343 6.182,344 3.856,345 2.872,346 3.889,348 9.217,349 2.825,350 4.096,351 2.803,352 5.826,353 3.602,354 2.682,355 3.747,357 8.09,358 2.464,359 3.936,360 2.717,361 5.553,362 3.488,363 2.546,364 3.496,366 7.475,367 2.394,368 3.686,369 2.554,370 5.287,371 3.232,372 2.282,373 3.155,375 6.601,376 2.158,377 3.494,378 2.201,379 5.045,380 3.048,381 2.105,382 2.868,384 6.052,385 1.977,386 3.232,387 2.082,388 4.925,389 2.797,390 1.879,391 2.481,393 5.467,394 1.723,395 3.208,396 1.925,397 4.618,398 2.752,399 1.827,400 2.467,402 4.963,403 1.684,404 2.927,405 1.532,406 4.539,407 2.391,408 1.45,409 2.126,411 4.309,412 1.362,413 2.861,414 1.452,415 4.224,416 2.368,417 1.402,418 2.02,420 3.743,421 1.344,422 2.604,423 1.204,424 3.574,425 2.112,426 1.147,427 1.653,428 2.561,429 1.107,430 2.552,431 1.099,432 3.473,433 2.051,434 1.085,435 1.574,436 2.508,437 1.043,438 2.118,439 0.618,440 3.376,441 1.604,442 0.618,443 0.927,445 1.553,446 0.609,447 2.031,448 0.562,449 3,450 1.507,451 0.555,452 0.812,454 1.372,455 0.527,456 1.245,457 0.191,458 2.875,459 0.865,460 -0.064,461 -0.08,463 -0.185,464 -0.059,465 13.886,466 0.463,467 0.78,468 0.026,469 46.25,470 1.542,471 25,472 0.833,473 21.25,474 0.708,475 20.458,476 0.682,477 30.514,478 0.663,479 35.667,480 1.189,481 9.254,482 0.308,483 5.31,484 0.177,485 0.085,487 0.389,491 1,493 0.809,494 1.183,495 0.661,496 0.937,497 0.72,498 0.789,499 0.625,500 1.012,501 0.659,502 0.974,503 0.509,504 0.862,505 1.161,506 0.959,507 1.031,508 0.863,509 1.099,510 0.895,511 0.802,512 1.076,513 0.89,514 1.103,515 0.72,516 1.041,517 1.013,518 1.029,519 0.945,520 0.922,521 0.889,522 0.905,523 0.896,524 0.924,525 0.866,526 0.882,527 0.821,528 0.868,529 1.123,530 1.029,531 1.176,532 1.022,533 0.942,534 1.075,535 0.857,536 1.007,537 1.013,538 1.078,539 0.782,540 1.077,541 6.5,542 0.143,543 2.667,544 2.514,545 1.374,546 1.289,547 0.835,548 0.484,549 0.442,550 0.199,551 11256,552 34611,553 2.165,554 34.8,556 7,557 2,559 4,560 3,564 1.737,565 2.045,566 3.238,567 1.697,569 1,573 75.116,574 1.633,575 3.895,576 4.863,577 5.333,578 5.377,579 5.377,580 2.678,581 4.507,582 4.876,583 3.42,584 1487.8,585 8.556,586 20081.4,588 1,590 1,591 254.084,592 1.347,593 4.848,594 0.191,595 0.007,596 0.054,597 0.053,598 0.029,599 0.026,600 0.016,601 0.011,602 0.011,603 0.007,604 0.405,606 0.75,607 0.496,608 150.929,609 -0.104,610 -0.14,611 0.027,612 -0.011,613 -0.143,614 0.034,615 0.161,616 0.004,617 0.122,618 -0.04,619 0.137,620 0.005,621 -0.182,622 0.077,623 -0.141,624 0.076,625 -0.188,626 0.005,627 0.035,628 -0.092,629 -0.025,630 -0.14,631 0.033,632 -0.114,633 -0.121,634 -0.057,635 -0.044,636 0.004,637 -0.109,638 0.004,639 0.052,640 0.066,641 0.064,642 0.063,643 0.045,644 0.062,645 -0.241,646 -0.073,647 -0.265,648 -0.098,649 -0.161,650 -0.16,651 -0.004,652 -0.108,653 -0.025,654 -0.101,655 0.03,656 -0.074,657 1.972,658 5.736,659 0.867,660 28.467,661 1.021,662 1.141,663 4.942,664 24.419,665 0.696,666 3.555,667 3.912,668 4.205,669 4.554,670 4.787,671 4.984,672 5.193,673 5.416,674 5.541,675 5.663,676 6.082,677 0.689,678 401.45,679 3.555,680 5.118,681 5.984,682 6.887,683 7.773,684 8.685,685 9.582,686 10.5,687 11.405,688 12.326,689 19.6,693 1,697 3,699 5,702 1,703 1,704 9,705 5,706 1,709 9,711 27,722 1,724 1,730 1,731 46,733 27,734 1,735 34,737 50,738 20,739 19,740 2,741 4,746 5,747 6,752 1,761 19,762 1,778 1,779 1,781 16,782 8,783 4,784 10,787 1,790 9,794 0.8,803 1,805 1,811 2,812 3,815 1,840 4,844 1,846 1,848 30,849 1,855 1,869 1,877 14.667,878 8.676,879 6.389,880 2.543,881 4.208,882 1.523,883 1.067,884 4.471,885 12.252,886 3.882,887 4.57,888 5.215,889 5.899,890 6.453,891 6.913,892 7.472,893 8.032,894 8.465,895 8.932,896 1,897 47,898 11.003,900 4.782,901 7.856,902 20.529,904 16.803,905 2.356,906 70.667,909 1,910 141.253,911 124.429,912 152.663,915 14.96,917 124.429,918 141.253,919 167.623,920 8.825,922 117.326,923 85.52,924 56.108,925 47.814,926 117.711,928 141.253,929 277.091,930 14.96,933 160.869,937 48.4,938 140.231,939 83.805,941 156.213,942 152.663,943 124.429,946 141.253,947 31.175,948 94.54,949 34.674,950 131.662,951 141.253,952 167.623,953 124.429,955 0.587,956 0.336,957 0.194,958 0.104,959 26,960 11,961 0.08,962 4,963 1,964 1.077,965 4.081,966 288.79,967 0.077,968 26,969 145.207,974 18.372,975 7.301,976 3.557,977 0.653,978 149.673,979 15.461,980 21.572,981 2.753,984 3.882,986 67.571,987 433.305,988 47.5,999 46.963,1000 52.485,1001 0.296,1002 0.705,1003 0.88,1004 0.966,1005 0.973,1006 0.973,1007 5.116,1008 1.827,1009 5.979,1010 5.467,1011 4.595,1012 5.257,1013 0.278,1014 6.812,1015 4.483,1016 6.356,1017 1.45,1018 7.543,1019 4.963,1020 4.205,1021 5.094,1023 7.714,1024 4.019,1025 7.679,1026 1.402,1027 9.203,1028 4.309,1029 6.205,1030 7.541,1031 0.05,1032 10.859,1033 5.984,1034 9.038,1035 1.147,1036 10.922,1037 3.743,1038 6.621,1039 8.209,1041 12.64,1042 6.333,1043 10.428,1044 1.085,1045 12.681,1046 2.561,1047 8.099,1048 10.108,1049 0.008,1050 15.312,1051 7.773,1052 11.84,1053 0.618,1054 14.469,1055 2.508,1056 8.904,1057 11.196,1059 17.488,1060 8.514,1061 13.272,1062 0.555,1063 16.281,1064 1.553,1065 10.176,1066 12.863,1067 0.001,1068 20.006,1069 9.742,1070 3.3,1071 -0.064,1072 18.111,1073 1.372,1074 11.172,1075 14.169,1077 22.352,1078 10.674,1079 2.872,1080 11.817,1081 19.958,1082 -0.185,1083 12.367,1084 15.741,1086 24.825,1087 11.82,1088 2.682,1089 9.217,1090 21.818,1091 4.66,1092 13.455,1093 17.158,1095 27.242,1096 12.843,1097 2.546,1098 8.09,1099 23.689,1100 3.889,1101 14.626,1102 18.694,1104 29.705,1105 13.959,1106 2.282,1107 7.475,1108 25.57,1109 3.747,1110 15.759,1111 20.167,1113 32.15,1114 15.028,1115 2.105,1116 6.601,1117 27.46,1118 3.496,1119 16.927,1120 21.693,1122 34.613,1123 16.136,1124 1.879,1125 6.052,1126 29.357,1127 3.155,1128 18.083,1129 23.195,1131 37.071,1132 17.227,1133 10491,1134 18562,1135 23.175,1136 32.034,1137 52.292,1138 51.557,1139 52.441,1140 51.656,1141 51.503,1142 71.747,1143 0.8,1144 151.457,1145 48.63,1146 5.512,1147 5.332,1148 6.566,1149 5.338,1150 5.3,1151 7.66,1152 0.8,1153 19.033,1154 5.098,1155 12.438,1156 1.538,1157 1.516,1158 1.542,1159 1.519,1160 1.515,1161 2.11,1162 0.024,1163 4.455,1164 1.43,1165 4.162,1166 4.209,1167 4.142,1168 4.023,1169 8.201,1170 4.045,1171 3.899,1172 3.95,1173 3.855,1174 3.791,1175 5.268,1176 3.803,1177 3.852,1178 3.908,1179 3.803,1180 3.648,1181 5.077,1182 3.677,1183 3.768,1184 3.83,1185 3.732,1186 3.559,1187 4.971,1188 3.595,1189 3.35,1190 3.4,1191 3.29,1192 3.223,1193 4.697,1194 3.234,1195 3.166,1196 3.275,1197 2.991,1198 2.923,1199 4.628,1200 2.926,1201 2.972,1202 3.042,1203 2.892,1204 2.832,1205 4.243,1206 2.835,1207 2.898,1208 2.964,1209 2.81,1210 2.733,1211 4.009,1212 2.734,1213 0.139,1214 0.098,1215 0.204,1216 0.125,1217 0.097,1218 4.716,1219 0.137,1220 3.332,1221 0.012,1222 6.952,1223 0.348,1224 4.238,1225 0.091,1226 3.3,1227 4.66,1228 0.4,1229 11.817,1230 3.098,1231 1.992,1232 1.964,1233 2.069,1234 2.109,1235 1.195,1236 2.094,1237 1.788,1238 1.747,1239 1.874,1240 1.969,1241 0.956,1242 1.939,1243 1.696,1244 1.646,1245 1.803,1246 1.869,1247 0.806,1248 1.857,1249 1.523,1250 1.471,1251 1.666,1252 1.73,1253 0.715,1254 1.702,1255 1.371,1256 1.3,1257 1.538,1258 1.686,1259 0.582,1260 1.65,1261 1.193,1262 1.105,1263 1.422,1264 1.45,1265 0.292,1266 1.469,1267 1.097,1268 1.008,1269 1.275,1270 1.389,1271 0.247,1272 1.367,1273 1.001,1274 0.951,1275 1.164,1276 1.174,1277 0.152,1278 1.165,1279 4.234,1281 5.58,1282 3.045,1283 7.107,1284 5.352,1285 8.725,1286 7.424,1287 10.393,1289 1.74,1291 13.736,1293 5.862,1296 3.172,1305 31.683,1306 75.116,1307 179.148,1308 223.677,1309 245.329,1310 247.329,1311 247.329,1312 40.63,1313 8.044,1314 122.7,1315 122.7,1316 28,1317 12.837,1318 4.807,1319 3.858,1320 41.179,1321 104,1322 111,1323 0.187,1324 192.868,1325 311.65,1326 462.359,1327 32468,1328 2.2,1329 20.665,1330 0.689,1331 0.528,1332 19.794,1333 15.835,1334 14.564,1335 0.428,1336 0.268,1337 8.934,1338 13.862,1339 8.772,1340 7.268,1341 14.17,1342 9.101,1343 13.666,1344 0.279,1345 0.135,1346 13.032,1347 6.614,1348 11.247,1349 0.17,1350 0.068,1351 10.92,1352 4.5,1353 10.285,1354 0.109,1355 0.035,1356 9.981,1357 3.244,1358 7.897,1359 0.066,1360 0.017,1361 7.67,1362 2.071,1363 0.283,1364 92.07,1365 0.208,1366 27.726,1367 0.544,1368 166,1369 547.96,1370 187.426,1371 514.683,1372 717.18,1373 482,1374 198,1375 555.742,1376 218.95,1377 554.199,1378 813.58,1379 523,1380 6.184}
{0 CHEMBL2172640,1 1.538,2 9.414,3 2.33,4 5.428,5 105.713,6 8.543,7 0.818,8 3.968,9 4.105,10 3.657,11 3.471,12 5.198,13 3.502,14 4.423,15 4.593,16 4.03,17 3.84,18 5.662,19 3.857,20 4.568,21 4.768,22 3.993,23 3.918,24 5.683,25 3.908,26 4.578,27 4.765,28 4.028,29 3.943,30 5.73,31 3.923,32 4.667,33 4.876,34 4.071,35 3.967,36 5.786,37 3.958,38 4.713,39 4.932,40 4.129,41 4.003,42 5.869,43 3.995,44 4.697,45 4.907,46 4.005,47 3.977,48 5.846,49 3.951,50 4.648,51 4.883,52 3.852,53 3.867,54 5.76,55 3.814,56 0.118,57 0.828,58 7.053,59 2.926,60 10.376,61 3.538,62 0.31,63 1.25,64 12.756,65 4.986,66 24.055,67 6.342,68 0.39,69 1.349,70 16.589,71 5.493,72 27.533,73 7.029,74 0.313,75 1.377,76 15.84,77 6.318,78 23.999,79 8.244,80 0.4,81 1.464,82 18.979,83 6.182,84 31.351,85 8.206,86 0.481,87 1.524,88 20.747,89 6.75,90 34.055,91 9.125,92 0.414,93 1.481,94 19.179,95 6.12,96 34.919,97 7.922,98 0.392,99 1.331,100 20.327,101 6.674,102 37.573,103 9.181,104 5,105 47,106 0.258,107 0.65,108 0.822,109 0.866,110 0.866,111 0.866,112 3.409,113 0.805,114 -5.1,115 -5,116 -4.68,119 42.2,120 1,142 5,143 2,145 2,147 2,149 2,150 1,151 2,152 1,161 1,163 1,164 1,165 1,168 1,172 5,174 4,175 8,177 2,178 4,180 2,183 5,186 2,187 4,190 1,191 1,195 3,198 3,199 6,201 1,202 3,204 2,207 2,209 1,211 2,212 8,214 1,215 2,217 2,223 4,224 11,226 1,227 3,228 1,229 2,231 1,232 1,237 8,240 2,242 5,245 4,247 2,249 2,250 5,252 1,253 1,255 5,258 4,260 3,262 2,263 4,266 2,267 1,268 4,270 1,271 4,273 2,275 1451,276 19.963,277 19.963,278 19.963,279 19.963,280 19.963,281 16.786,282 15.074,283 11.859,284 20.548,285 16.38,286 16.38,287 16.38,288 16.38,289 16.38,290 11.652,291 23.388,292 5.731,293 17.348,294 3.954,295 1.611,296 0.586,297 0.328,298 0.328,299 0.328,300 4.12,303 1,304 1,305 1,306 607,307 2.449,310 130.271,311 241.475,314 110.332,318 1.503,319 21.399,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 63,331 273,332 4.715,333 3.331,334 6.952,335 4.237,336 3.299,337 4.66,338 0.4,339 11.817,340 3.097,341 4.214,342 2.863,343 6.161,344 3.823,345 2.84,346 3.857,348 9.127,349 2.798,350 4.075,351 2.78,352 5.819,353 3.595,354 2.672,355 3.692,357 8.065,358 2.46,359 3.927,360 2.624,361 5.552,362 3.476,363 2.534,364 3.489,366 7.464,367 2.384,368 3.596,369 2.229,370 5.285,371 3.133,372 2.181,373 3.039,375 6.582,376 2.073,377 3.327,378 2.083,379 4.936,380 2.827,381 1.887,382 2.692,384 5.527,385 1.775,386 3.232,387 1.946,388 4.618,389 2.796,390 1.879,391 2.481,393 4.963,394 1.72,395 3.145,396 1.764,397 4.556,398 2.672,399 1.73,400 2.39,402 4.523,403 1.624,404 2.925,405 1.455,406 4.423,407 2.381,408 1.444,409 2.125,411 4.186,412 1.35,413 2.648,414 1.221,415 3.575,416 2.125,417 1.18,418 1.717,420 2.708,421 1.112,422 2.554,423 1.126,424 3.511,425 2.046,426 1.102,427 1.577,428 2.533,429 1.037,430 2.5,431 1,432 3.373,433 1.984,434 1,435 1.5,436 2.136,437 0.983,438 2.118,439 0.618,440 3.247,441 1.604,442 0.618,443 0.927,445 1.547,446 0.609,447 2.03,448 0.56,449 3,450 1.505,451 0.554,452 0.811,454 1.372,455 0.526,456 1.244,457 0.053,458 2.858,459 0.864,460 -0.064,461 -0.08,463 -0.183,464 -0.059,465 13.5,466 0.466,467 0.674,468 0.023,469 46,470 1.586,471 25,472 0.862,473 21,474 0.724,475 18.884,476 0.651,477 29.1,478 0.647,479 34.002,480 1.172,481 9.131,482 0.315,483 5.039,484 0.174,485 0.067,487 0.363,493 1.035,494 1.379,495 0.688,496 0.974,497 1.08,498 0.802,499 0.726,500 1.05,501 0.703,502 0.936,503 0.55,504 0.838,505 1.195,506 0.922,507 1.01,508 0.838,509 1.16,510 0.877,511 0.759,512 1.142,513 0.906,514 1.16,515 0.641,516 1.082,517 1.118,518 1.099,519 0.947,520 0.955,521 1.149,522 0.923,523 0.926,524 0.925,525 0.834,526 0.844,527 0.681,528 0.825,529 1.348,530 1.126,531 1.208,532 1.067,533 1.302,534 1.101,535 1.045,536 1.074,537 1.091,538 1.106,539 1.06,540 1.108,541 5.5,542 0.061,543 2.444,544 2.326,545 1.103,546 1.233,547 0.815,548 0.434,549 0.336,550 0.199,551 10359,552 29762,553 2.193,554 35.6,556 5,557 2,558 2,559 4,560 3,564 1.729,565 2.096,566 3.204,567 1.731,568 1,569 1,573 69.203,574 1.538,575 3.881,576 4.906,577 5.164,578 5.164,579 5.164,580 2.664,581 4.375,582 4.826,583 3.376,584 1370.64,585 8.459,586 18035.2,588 1,590 1,591 247.133,592 1.247,593 4.809,594 0.167,595 0.004,596 0.052,597 0.052,598 0.024,599 0.026,600 0.016,601 0.01,602 0.009,603 0.007,604 0.366,606 0.88,607 0.434,608 144.086,609 -0.135,610 -0.22,611 0.039,612 -0.042,613 -0.241,614 0.019,615 0.243,616 0.06,617 0.112,618 -0.002,619 0.273,620 0.022,621 -0.185,622 0.138,623 -0.121,624 0.1,625 -0.283,626 0.021,627 0.126,628 -0.098,629 -0.04,630 -0.179,631 0.157,632 -0.151,633 -0.101,634 -0.071,635 -0.023,636 -0.01,637 -0.194,638 -0.002,639 0.102,640 0.089,641 0.118,642 0.107,643 0.244,644 0.114,645 -0.317,646 -0.092,647 -0.291,648 -0.134,649 -0.273,650 -0.193,651 -0.082,652 -0.121,653 -0.092,654 -0.118,655 -0.023,656 -0.109,657 1.515,658 1.88,659 0.897,660 26.863,661 1.015,662 1.138,663 3.871,664 14.986,665 0.696,666 3.526,667 3.871,668 4.174,669 4.522,670 4.754,671 4.949,672 5.165,673 5.38,674 5.493,675 5.606,676 5.911,677 0.684,678 384.45,679 3.526,680 5.081,681 5.948,682 6.847,683 7.734,684 8.644,685 9.543,686 10.46,687 11.366,688 12.287,689 22.2,693 1,697 3,699 6,702 1,703 1,704 9,705 6,706 1,709 8,711 27,722 1,724 1,731 45,733 27,735 33,737 49,738 19,739 18,746 5,747 6,752 1,761 18,762 1,777 1,778 1,781 16,782 8,783 4,784 10,787 1,790 10,794 0.8,803 1,805 2,811 2,812 3,815 1,840 4,844 1,848 29,849 1,855 1,877 13.833,878 8.483,879 6.222,880 2.474,881 4.19,882 1.527,883 1.065,884 4.244,885 12.144,886 3.861,887 4.538,888 5.19,889 5.874,890 6.426,891 6.883,892 7.451,893 8.003,894 8.425,895 8.885,896 1,897 45,898 10.587,900 4.53,901 7.707,902 19.979,904 16.25,905 2.207,906 64,909 1,910 141.253,911 114.45,912 169.448,917 114.45,918 141.253,919 169.448,920 8.825,922 98.373,923 125.848,924 65.082,925 32.854,926 94.169,928 141.253,929 283.898,933 145.909,937 66.495,938 112.157,939 100.591,941 141.253,942 169.448,943 114.45,946 141.253,947 22.054,948 93.683,949 34.674,950 133.488,951 141.253,952 169.448,953 114.45,955 0.582,956 0.336,957 0.196,958 0.104,959 25,960 10,961 0.082,962 4,963 1,964 1.077,965 4.034,966 275.565,967 0.077,968 26,969 136.881,974 17.437,975 7.058,976 3.336,977 0.729,978 151.499,979 16.881,980 25.822,981 2.778,984 4.996,986 67.571,987 425.151,988 46.5,999 45.669,1000 51.229,1001 0.28,1002 0.707,1003 0.893,1004 0.94,1005 0.94,1006 0.94,1007 5.086,1008 1.73,1009 5.932,1010 4.963,1011 4.554,1012 5.226,1013 0.278,1014 6.763,1015 4.442,1016 6.317,1017 1.444,1018 7.492,1019 4.523,1020 4.111,1021 5.007,1023 7.664,1024 3.941,1025 7.634,1026 1.18,1027 9.151,1028 4.186,1029 6.155,1030 7.502,1031 0.05,1032 10.82,1033 5.934,1034 8.99,1035 1.102,1036 10.872,1037 2.708,1038 6.553,1039 8.148,1041 12.615,1042 6.276,1043 10.377,1044 1,1045 12.635,1046 2.533,1047 8.051,1048 10.069,1049 0.008,1050 15.288,1051 7.724,1052 11.79,1053 0.618,1054 14.428,1055 2.136,1056 8.852,1057 11.149,1059 17.473,1060 8.468,1061 13.223,1062 0.554,1063 16.244,1064 1.547,1065 10.134,1066 12.828,1067 0.001,1068 19.991,1069 9.698,1070 3.299,1071 -0.064,1072 18.08,1073 1.372,1074 11.13,1075 14.133,1077 22.342,1078 10.635,1079 2.84,1080 11.817,1081 19.93,1082 -0.183,1083 12.331,1084 15.711,1086 24.816,1087 11.779,1088 2.672,1089 9.127,1090 21.794,1091 4.66,1092 13.421,1093 17.13,1095 27.234,1096 12.806,1097 2.534,1098 8.065,1099 23.669,1100 3.857,1101 14.596,1102 18.67,1104 29.698,1105 13.921,1106 2.181,1107 7.464,1108 25.553,1109 3.692,1110 15.73,1111 20.145,1113 32.145,1114 14.992,1115 1.887,1116 6.582,1117 27.445,1118 3.489,1119 16.901,1120 21.675,1122 34.608,1123 16.1,1124 1.879,1125 5.527,1126 29.343,1127 3.039,1128 18.059,1129 23.179,1131 37.067,1132 17.193,1133 9601,1134 16447,1135 22.77,1136 31.341,1137 50.557,1138 49.606,1139 50.278,1140 49.937,1141 49.844,1142 69.912,1143 0.8,1144 145.102,1145 47.09,1146 5.511,1147 5.331,1148 6.754,1149 5.337,1150 5.299,1151 7.66,1152 0.8,1153 19.032,1154 5.048,1155 9.806,1156 1.532,1157 1.503,1158 1.524,1159 1.513,1160 1.51,1161 2.119,1162 0.024,1163 4.397,1164 1.427,1165 4.16,1166 4.208,1167 4.14,1168 4.015,1169 5.268,1170 4.039,1171 3.882,1172 3.946,1173 3.832,1174 3.738,1175 5.081,1176 3.755,1177 3.838,1178 3.894,1179 3.794,1180 3.641,1181 4.98,1182 3.67,1183 3.755,1184 3.819,1185 3.713,1186 3.548,1187 4.876,1188 3.583,1189 3.333,1190 3.388,1191 3.267,1192 3.195,1193 4.683,1194 3.207,1195 3.166,1196 3.274,1197 2.99,1198 2.915,1199 4.294,1200 2.921,1201 2.955,1202 3.036,1203 2.866,1204 2.788,1205 4.011,1206 2.796,1207 2.854,1208 2.925,1209 2.73,1210 2.735,1211 3.811,1212 2.715,1213 0.143,1214 0.101,1215 0.211,1216 0.128,1217 0.1,1218 4.715,1219 0.141,1220 3.331,1221 0.012,1222 6.952,1223 0.358,1224 4.237,1225 0.094,1226 3.299,1227 4.66,1228 0.4,1229 11.817,1230 3.097,1231 1.977,1232 1.945,1233 2.053,1234 2.106,1235 1.174,1236 2.09,1237 1.76,1238 1.711,1239 1.847,1240 1.964,1241 0.886,1242 1.931,1243 1.673,1244 1.623,1245 1.789,1246 1.853,1247 0.793,1248 1.838,1249 1.523,1250 1.47,1251 1.666,1252 1.73,1253 0.714,1254 1.702,1255 1.371,1256 1.3,1257 1.538,1258 1.686,1259 0.579,1260 1.65,1261 1.193,1262 1.105,1263 1.422,1264 1.449,1265 0.271,1266 1.469,1267 1.096,1268 1.002,1269 1.275,1270 1.389,1271 0.218,1272 1.367,1273 0.934,1274 0.88,1275 1.181,1276 1.148,1277 0.179,1278 1.129,1279 4.205,1281 5.541,1282 3.045,1283 7.066,1284 5.352,1285 8.681,1286 7.424,1287 10.347,1289 1.772,1293 5.88,1296 3.213,1305 30.794,1306 69.203,1307 174.63,1308 220.769,1309 232.379,1310 232.379,1311 232.379,1312 31.395,1313 7.954,1314 135.59,1315 135.59,1316 28,1317 12.798,1318 4.807,1319 3.858,1320 39.185,1321 97,1322 112,1323 0.189,1324 188.872,1325 299.28,1326 452.608,1327 29095,1329 19.794,1330 0.683,1331 0.531,1332 19.794,1333 15.404,1334 14.17,1335 0.429,1336 0.268,1337 8.692,1338 13.508,1339 8.525,1340 7.081,1341 14.17,1342 8.851,1343 13.032,1344 0.277,1345 0.135,1346 13.032,1347 6.34,1348 10.92,1349 0.171,1350 0.068,1351 10.92,1352 4.356,1353 9.981,1354 0.11,1355 0.034,1356 9.981,1357 3.12,1358 7.67,1359 0.067,1360 0.017,1361 7.67,1362 1.969,1363 0.287,1364 89.341,1365 0.21,1366 26.948,1367 0.555,1368 160,1369 473.494,1370 178.983,1371 469.635,1372 667.17,1373 442,1374 191,1375 526.522,1376 210.373,1377 530.897,1378 778.15,1379 501,1380 6.514}
{0 CHEMBL2178606,1 1.723,2 9.259,3 2.024,4 4.097,5 105.559,6 7.888,7 0.533,8 4.015,9 4.134,10 3.677,11 3.518,12 5.101,13 3.496,14 4.573,15 4.755,16 4.094,17 3.919,18 5.629,19 3.882,20 4.739,21 4.912,22 4.207,23 4.069,24 5.77,25 4.004,26 4.83,27 5.048,28 4.086,29 4.144,30 5.785,31 4.01,32 4.836,33 5.079,34 4.054,35 4.113,36 5.699,37 3.981,38 4.693,39 4.866,40 4.109,41 4.047,42 5.754,43 3.97,44 4.754,45 4.962,46 3.97,47 3.982,48 5.735,49 3.908,50 4.764,51 4.982,52 3.786,53 3.931,54 5.689,55 3.831,56 0.059,57 0.789,58 10.336,59 4.366,60 10.26,61 5.521,62 0.427,63 1.237,64 22.309,65 7.579,66 33.167,67 9.332,68 0.491,69 1.474,70 28.877,71 8.51,72 32.843,73 10.969,74 0.413,75 1.589,76 34.245,77 11.526,78 37.614,79 14.481,80 0.396,81 1.517,82 36.715,83 11.892,84 29.905,85 15.448,86 0.411,87 1.444,88 26.799,89 8.988,90 28.937,91 11.334,92 0.411,93 1.423,94 27.344,95 7.817,96 32.092,97 11.096,98 0.383,99 1.301,100 25.799,101 8.902,102 36.007,103 12.19,104 19,105 44,106 0.292,107 0.625,108 0.777,109 0.777,110 0.777,111 0.777,112 3.341,113 0.957,114 -3.19,115 -3.19,116 -3.06,119 36.7,120 2,124 1,125 4,130 1,142 1,143 1,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,174 3,175 7,177 2,178 2,183 2,186 1,187 5,195 4,198 5,199 3,204 1,207 1,209 1,211 2,212 2,220 1,223 4,224 7,226 2,227 2,236 1,237 5,245 2,252 1,253 1,255 1,260 1,262 5,263 6,268 1,273 1,275 1057,276 18.135,277 18.135,278 18.135,279 18.135,280 18.135,281 16.382,282 20.617,283 10.406,284 18.993,285 14.731,286 14.731,287 14.731,288 14.731,289 14.731,290 11.969,291 26.871,292 4.896,293 16.053,294 3.891,295 1.923,296 1.026,297 1.026,298 1.026,299 1.026,300 4.035,303 1,304 1,305 1,306 539,307 3.317,310 57.224,311 222.52,314 104.633,318 1.325,319 23.921,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 250,332 4.696,333 3.799,334 7.304,335 4.352,336 3.42,337 4.596,338 1.151,339 12.455,340 3.177,341 4.359,342 3.29,343 6.722,344 4.068,345 3.133,346 3.807,347 0.86,348 10.96,349 2.925,350 4.107,351 2.842,352 6.105,353 3.709,354 2.757,355 3.526,356 0.8,357 8.924,358 2.622,359 3.707,360 2.666,361 5.786,362 3.41,363 2.488,364 3.054,366 7.903,367 2.292,368 3.647,369 2.356,370 5.046,371 3.176,372 2.269,373 2.97,375 6.099,376 2.055,377 3.016,378 2.241,379 4.783,380 2.712,381 1.799,382 2.181,384 4.905,385 1.636,386 2.979,387 1.72,388 4.66,389 2.435,390 1.543,391 2.094,393 4.596,394 1.365,395 2.693,396 1.546,397 4.372,398 2.206,399 1.293,400 1.762,402 3.891,403 1.163,404 2.5,405 1.406,406 3.755,407 2.094,408 1.233,409 1.5,411 2.942,412 1.049,413 2.386,414 1.256,415 3.414,416 1.952,417 1,418 1.373,420 2.275,421 0.946,422 2,423 1,424 3.4,425 1.917,426 1,427 1,428 2.136,429 0.916,430 1.939,431 0.95,432 3.247,433 1.421,434 0.554,435 0.751,436 1.606,437 0.471,438 1.389,439 0.627,440 3.13,441 1.21,442 0.369,443 0.375,445 0.491,446 0.308,447 1.17,448 -0.05,449 2.757,450 0.746,451 -0.167,452 -0.212,454 -0.382,455 -0.152,456 0.923,457 -0.275,458 2.612,459 0.502,460 -0.412,461 -0.503,463 -1.124,464 -0.374,465 12.9,466 0.478,467 0.783,468 0.029,469 34,470 1.259,471 15,472 0.556,473 19,474 0.704,475 25.696,476 0.952,477 29.7,478 0.606,479 24.079,480 0.892,481 6.365,482 0.236,483 6.61,484 0.245,485 0.147,486 0.039,487 0.302,493 0.945,494 1.483,495 0.741,496 1.092,497 1.041,498 0.982,499 1.31,500 0.813,501 0.777,502 0.686,503 0.827,504 0.671,505 1.358,506 1.254,507 1.078,508 1.085,509 1.054,510 0.989,511 0.683,512 1.037,513 1.295,514 1.262,515 0.836,516 1.121,517 0.515,518 1.036,519 1.108,520 1.138,521 0.5,522 0.899,523 0.788,524 1.211,525 1.224,526 1.329,527 0.786,528 1.197,529 1.134,530 1.197,531 1.126,532 1.151,533 1.13,534 1.168,535 1.205,536 1.083,537 0.95,538 1.058,539 1.1,540 1.215,541 6.5,542 0.132,543 3.778,544 1.438,545 1.748,546 1.299,547 0.895,548 0.525,549 0.363,550 0.218,551 7931,552 21782,553 2.088,554 44.9,556 12,558 2,559 2,561 6,564 1.709,565 1.94,566 3.17,567 0.341,568 1,569 1,573 84.445,574 1.723,575 3.691,576 4.589,577 4.589,578 4.589,579 4.589,580 2.52,581 4.236,582 4.722,583 3.318,584 1164.53,585 8.247,586 14489.8,588 1,590 1,591 275.121,592 1.596,593 4.673,594 0.217,595 0.013,596 0.086,597 0.032,598 0.043,599 0.031,600 0.021,601 0.014,602 0.012,603 0.01,604 0.478,605 0.33,606 1,607 0.936,608 130.845,609 -0.075,610 -0.27,611 0.078,612 -0.068,613 -0.14,614 -0.015,615 -0.058,616 0.272,617 0.188,618 0.308,619 0.165,620 0.269,621 -0.179,622 -0.146,623 -0.005,624 -0.001,625 -0.101,626 -0.03,627 0.027,628 0.053,629 -0.127,630 -0.09,631 -0.043,632 -0.093,633 0.139,634 -0.032,635 0.081,636 0.047,637 0.171,638 0.168,639 0.091,640 -0.039,641 -0.177,642 -0.234,643 0.048,644 -0.227,645 -0.171,646 -0.106,647 -0.222,648 -0.222,649 -0.208,650 -0.239,651 -0.165,652 -0.126,653 -0.181,654 -0.197,655 -0.153,656 -0.259,657 1.641,658 2.161,659 0.778,660 23.805,661 1.008,662 1.136,663 1.963,664 3.855,665 0.667,666 3.434,667 3.807,668 4.094,669 4.357,670 4.673,671 4.86,672 5.05,673 5.236,674 5.347,675 5.394,676 5.647,677 0.632,678 386.53,679 3.434,680 5.004,681 5.872,682 6.774,683 7.668,684 8.578,685 9.484,686 10.399,687 11.311,688 12.23,689 12.2,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 49,733 16,735 30,737 52,738 18,739 10,746 4,747 5,752 2,761 10,762 8,763 1,777 1,778 1,781 22,782 8,783 2,784 9,785 1,790 6,794 0.75,795 2,806 2,811 1,812 3,815 1,839 2,840 3,842 1,844 3,848 27,849 1,854 4,856 2,859 1,860 1,865 1,870 4.1,874 2,877 13.917,878 9.833,879 5.819,880 2.808,881 2.984,882 1.394,883 0.975,884 4.973,885 10.562,886 3.664,887 4.301,888 4.93,889 5.567,890 6.187,891 6.65,892 7.134,893 7.618,894 7.963,895 8.305,896 0.714,897 45,898 9.951,900 4.212,901 7.639,902 19.149,904 15.745,905 2.139,906 57.75,910 235.422,911 114.767,912 103.164,914 22,916 31.278,917 83.49,918 257.422,919 103.164,920 28.533,921 13.396,922 42.373,923 112.684,924 28.877,925 6.331,926 243.158,928 235.422,929 186.653,930 22,931 31.278,933 167.123,934 70.627,935 22,937 53.185,938 63.998,939 67.142,940 31.278,941 235.422,942 125.163,943 114.767,946 235.422,947 58.663,948 59.229,950 122.039,951 235.422,952 125.163,953 114.767,955 0.593,956 0.347,957 0.174,958 0.104,959 23,960 10,961 0.077,962 4,963 1,964 1.095,965 3.744,966 245.066,967 0.095,968 21,969 118.382,970 1,974 18.479,975 7.266,976 3.616,977 1.945,978 125.163,979 5.384,980 17.76,983 1.672,984 3.573,986 32.897,987 475.353,988 38,999 49.411,1000 55.65,1001 0.307,1002 0.657,1003 0.817,1004 0.817,1005 0.817,1006 0.817,1007 4.934,1008 1.293,1009 5.905,1010 4.596,1011 4.489,1012 4.987,1013 1.806,1014 6.788,1015 4.325,1016 6.168,1017 1.233,1018 7.518,1019 3.891,1020 4.29,1021 4.934,1022 0.325,1023 8.015,1024 4.089,1025 7.508,1026 1,1027 9.242,1028 2.942,1029 6.201,1030 7.25,1031 1.802,1032 11.059,1033 5.901,1034 8.887,1035 1,1036 11.034,1037 2.275,1038 6.815,1039 8.015,1040 0.268,1041 13.089,1042 6.466,1043 10.3,1044 0.554,1045 12.87,1046 2.136,1047 8.247,1048 9.844,1049 1.906,1050 15.732,1051 7.816,1052 11.735,1053 0.369,1054 14.737,1055 1.606,1056 9.197,1057 10.987,1058 0.188,1059 18.05,1060 8.705,1061 13.188,1062 -0.167,1063 16.626,1064 0.491,1065 10.467,1066 12.622,1067 2.069,1068 20.582,1069 9.9,1070 3.42,1071 -0.412,1072 18.531,1073 -0.382,1074 11.56,1075 13.953,1076 0.125,1077 23.009,1078 10.924,1079 3.133,1080 12.455,1081 20.449,1082 -1.124,1083 12.777,1084 15.51,1085 2.272,1086 25.512,1087 12.068,1088 2.757,1089 10.96,1090 22.377,1091 4.596,1092 13.932,1093 16.936,1094 0.082,1095 27.983,1096 13.15,1097 2.488,1098 8.924,1099 24.314,1100 3.807,1101 15.135,1102 18.463,1103 2.501,1104 30.483,1105 14.28,1106 2.269,1107 7.903,1108 26.257,1109 3.526,1110 16.319,1111 19.936,1112 0.054,1113 32.973,1114 15.389,1115 1.799,1116 6.099,1117 28.205,1118 3.054,1119 17.522,1120 21.455,1121 2.746,1122 35.475,1123 16.518,1124 1.543,1125 4.905,1126 30.159,1127 2.97,1128 18.719,1129 22.951,1130 0.035,1131 37.975,1132 17.641,1133 7660,1134 12843,1135 19.879,1136 32.682,1137 45.904,1138 46.44,1139 47.185,1140 45.577,1141 45.714,1142 57.98,1143 5.622,1144 138.363,1145 41.851,1146 5.696,1147 5.799,1148 7.106,1149 5.489,1150 5.42,1151 7.596,1152 2.302,1153 19.837,1154 5.109,1155 13.367,1156 1.53,1157 1.548,1158 1.573,1159 1.519,1160 1.524,1161 1.933,1162 0.187,1163 4.612,1164 1.395,1165 4.099,1166 4.121,1167 4.342,1168 4.072,1169 5.245,1170 4.029,1171 3.818,1172 3.866,1173 3.828,1174 3.681,1175 5.02,1176 3.693,1177 3.745,1178 3.796,1179 3.652,1180 3.537,1181 4.686,1182 3.552,1183 3.59,1184 3.641,1185 3.484,1186 3.404,1187 4.616,1188 3.41,1189 3.194,1190 3.261,1191 3.264,1192 2.993,1193 4.555,1194 3.005,1195 3.111,1196 3.21,1197 2.908,1198 2.941,1199 4.2,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.846,1205 3.962,1206 2.829,1207 2.988,1208 3.063,1209 2.832,1210 2.75,1211 3.962,1212 2.771,1213 0.157,1214 0.127,1215 0.243,1216 0.145,1217 0.114,1218 4.696,1219 0.153,1220 3.799,1221 0.038,1222 7.304,1223 0.415,1224 4.352,1225 0.106,1226 3.42,1227 4.596,1228 1.151,1229 12.455,1230 3.177,1231 1.888,1232 1.853,1233 1.959,1234 2.056,1235 1.217,1236 2.031,1237 1.723,1238 1.696,1239 1.9,1240 1.933,1241 1.113,1242 1.917,1243 1.704,1244 1.654,1245 1.854,1246 1.874,1247 0.944,1248 1.885,1249 1.559,1250 1.518,1251 1.652,1252 1.752,1253 0.825,1254 1.734,1255 1.176,1256 1.138,1257 1.545,1258 1.443,1259 0.744,1260 1.482,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.561,1266 1.429,1267 1.107,1268 1.011,1269 1.417,1270 1.306,1271 0.49,1272 1.322,1273 1.002,1274 0.93,1275 1.276,1276 1.266,1277 0.469,1278 1.308,1279 4.111,1281 5.468,1282 2.398,1283 7.024,1284 4.727,1285 8.662,1286 6.88,1287 10.345,1289 5.818,1293 5.611,1295 2.969,1297 11.164,1300 2.245,1301 -0.391,1305 30.96,1306 84.445,1307 180.879,1308 224.856,1309 224.856,1310 224.856,1311 224.856,1312 38.096,1313 7.578,1314 99.28,1315 127.52,1316 23,1317 12.741,1318 4.087,1319 3.17,1320 39.813,1321 91,1322 101,1323 0.22,1324 193.256,1325 321.43,1326 463.306,1327 17638,1329 19.018,1330 0.704,1331 0.608,1332 19.372,1333 16.415,1334 12.975,1335 0.433,1336 0.319,1337 8.646,1338 11.856,1339 8.281,1340 6.838,1341 13.384,1342 9.572,1343 12.248,1344 0.278,1345 0.179,1346 12.848,1347 7.892,1348 10.479,1349 0.178,1350 0.104,1351 11.435,1352 6.123,1353 8.136,1354 0.106,1355 0.053,1356 9.111,1357 4.079,1358 7.058,1359 0.067,1360 0.028,1361 7.922,1362 2.923,1363 0.332,1364 86.584,1365 0.224,1366 25.298,1367 0.646,1368 148,1369 441.869,1370 191.312,1371 440.44,1372 611.25,1373 416,1374 177,1375 441.15,1376 222.862,1377 462.071,1378 682.84,1379 432,1380 7.046}
{0 CHEMBL2178608,1 1.769,2 9.345,3 1.501,4 2.252,5 110.178,6 8.128,7 0.485,8 4.079,9 4.187,10 3.766,11 3.573,12 5.157,13 3.567,14 4.638,15 4.808,16 4.153,17 3.97,18 5.677,19 3.945,20 4.763,21 4.921,22 4.325,23 4.13,24 5.802,25 4.079,26 4.878,27 5.069,28 4.267,29 4.232,30 5.857,31 4.127,32 4.929,33 5.13,34 4.208,35 4.225,36 5.85,37 4.123,38 4.905,39 5.099,40 4.232,41 4.187,42 5.912,43 4.112,44 4.898,45 5.098,46 4.133,47 4.131,48 5.877,49 4.057,50 4.97,51 5.213,52 3.936,53 4.064,54 5.842,55 3.965,56 0.099,57 0.825,58 10.229,59 4.605,60 9.959,61 5.537,62 0.564,63 1.291,64 23.149,65 7.937,66 36.292,67 9.275,68 0.59,69 1.539,70 27.434,71 8.783,72 31.063,73 10.95,74 0.484,75 1.71,76 35.714,77 12.052,78 35.85,79 14.319,80 0.541,81 1.674,82 37.437,83 12.694,84 32.152,85 15.601,86 0.655,87 1.68,88 32.984,89 10.778,90 37.625,91 13.609,92 0.533,93 1.627,94 30.016,95 9.688,96 35.098,97 13.332,98 0.589,99 1.533,100 33.076,101 10.784,102 46.391,103 14.931,104 11,105 49,106 0.296,107 0.608,108 0.76,109 0.793,110 0.793,111 0.793,112 3.41,113 0.934,114 -2.69,115 -2.7,116 -2.63,119 37.3,120 1,124 1,125 6,130 1,143 2,145 2,146 1,147 1,149 1,150 1,152 2,163 1,164 1,165 1,172 1,174 3,175 5,177 2,178 2,183 1,186 2,187 6,195 1,198 5,199 6,204 1,207 1,209 1,211 2,212 3,220 2,223 5,224 3,226 2,227 2,236 3,237 7,250 2,252 1,253 1,255 1,260 1,262 5,268 2,273 2,275 1219,276 19.946,277 19.946,278 19.946,279 19.946,280 19.946,281 18.122,282 23.31,283 11.362,284 20.88,285 16.169,286 16.169,287 16.169,288 16.169,289 16.169,290 13.324,291 28.816,292 5.264,293 17.622,294 3.904,295 2.036,296 1.128,297 0.932,298 0.932,299 0.932,300 4.114,304 1,305 1,306 602,307 2.915,309 63.043,310 60.677,311 239.732,314 111.853,318 1.346,319 28.687,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 64,331 271,332 4.823,333 3.978,334 7.725,335 4.528,336 3.592,337 4.714,338 1.151,339 14.314,340 3.351,341 4.449,342 3.332,343 6.837,344 4.121,345 3.187,346 3.86,347 0.86,348 11.345,349 2.974,350 4.127,351 2.909,352 6.153,353 3.721,354 2.765,355 3.618,356 0.86,357 8.956,358 2.644,359 3.851,360 2.798,361 6.102,362 3.572,363 2.639,364 3.144,365 0.8,366 8.821,367 2.458,368 3.654,369 2.405,370 5.325,371 3.19,372 2.284,373 3.058,375 6.141,376 2.068,377 3.169,378 2.309,379 5.045,380 2.887,381 1.96,382 2.277,384 5.9,385 1.806,386 3.014,387 2.032,388 4.885,389 2.508,390 1.619,391 2.208,393 4.939,394 1.427,395 2.808,396 1.866,397 4.388,398 2.343,399 1.442,400 1.916,402 4.085,403 1.295,404 2.505,405 1.623,406 4.076,407 2.169,408 1.3,409 1.506,411 3.204,412 1.109,413 2.5,414 1.406,415 3.703,416 1.952,417 1.04,418 1.5,420 2.352,421 0.946,422 2.123,423 1.256,424 3.516,425 1.917,426 1,427 1.09,428 2.275,429 0.916,430 2.039,431 1.125,432 3.414,433 1.869,434 1,435 1,436 2.136,437 0.859,438 2,439 1,440 3.414,441 1.675,442 0.818,443 0.985,445 2.072,446 0.691,447 1.338,448 0.768,449 3.261,450 1.074,451 0.23,452 0.242,454 0.356,455 0.192,456 1.159,457 0.519,458 3.247,459 0.905,465 13.733,466 0.474,467 0.734,468 0.025,469 36,470 1.241,471 15,472 0.517,473 21,474 0.724,475 28.107,476 0.969,477 31.867,478 0.625,479 26.152,480 0.902,481 6.895,482 0.238,483 7.215,484 0.249,485 0.102,486 0.036,487 0.32,493 0.939,494 1.468,495 0.712,496 1.096,497 0.978,498 0.958,499 1.39,500 0.774,501 0.828,502 0.653,503 1.005,504 0.663,505 1.04,506 1.252,507 0.954,508 1.038,509 0.876,510 0.937,511 0.703,512 1.077,513 1.371,514 1.364,515 0.799,516 1.13,517 0.818,518 1.169,519 1.219,520 1.253,521 0.705,522 1.056,523 0.819,524 1.041,525 1.135,526 1.149,527 0.796,528 1.089,529 0.821,530 1.262,531 1.033,532 1.218,533 0.915,534 1.228,535 1.016,536 0.971,537 0.864,538 0.959,539 0.997,540 1.095,541 6,542 0.124,543 4,544 2.319,545 2.046,546 1.546,547 0.956,548 0.498,549 0.35,550 0.181,551 9940,552 27863,553 2.162,554 43.1,555 3,556 15,558 2,559 2,564 1.729,565 2.035,566 3.184,567 0.33,568 1,569 1,573 90.211,574 1.769,575 3.637,576 4.545,577 4.741,578 4.741,579 4.741,580 2.54,581 4.418,582 4.826,583 3.339,584 1355.61,585 8.462,586 17549.2,588 1,590 1,591 289.294,592 1.503,593 4.79,594 0.182,595 0.01,596 0.085,597 0.045,598 0.042,599 0.032,600 0.02,601 0.011,602 0.01,603 0.007,604 0.442,605 0.33,606 0.88,607 0.674,608 143.286,609 -0.088,610 -0.268,611 0.079,612 -0.077,613 -0.101,614 -0.01,615 -0.162,616 0.298,617 0.124,618 0.335,619 0.002,620 0.264,621 -0.036,622 -0.124,623 0.089,624 0.056,625 0.003,626 0.024,627 0.003,628 0.068,629 -0.147,630 -0.132,631 -0.013,632 -0.104,633 -0.001,634 -0.138,635 -0.077,636 -0.08,637 0.036,638 -0.011,639 0.042,640 0.056,641 -0.128,642 -0.109,643 0.02,644 -0.121,645 -0.004,646 -0.2,647 -0.164,648 -0.275,649 -0.083,650 -0.27,651 -0.1,652 -0.057,653 -0.06,654 -0.109,655 -0.087,656 -0.119,657 1.651,658 2.353,659 0.862,660 25.622,661 1.014,662 1.135,663 1.457,664 2.122,665 0.669,666 3.526,667 3.912,668 4.277,669 4.554,670 4.844,671 5.03,672 5.263,673 5.464,674 5.602,675 5.677,676 5.748,677 0.641,678 414.54,679 3.526,680 5.106,681 6.004,682 6.925,683 7.843,684 8.774,685 9.703,686 10.641,687 11.575,688 12.517,689 11.8,693 1,695 1,699 4,703 2,704 2,705 4,708 1,709 6,711 16,722 1,726 1,731 51,733 16,735 33,737 55,738 19,739 10,746 5,747 6,752 1,756 1,761 10,762 9,763 1,778 1,781 22,782 9,783 2,784 10,785 1,790 6,794 0.8,795 3,800 1,806 2,810 1,811 1,812 3,815 1,839 3,840 4,842 1,844 2,848 29,849 1,854 6,856 3,859 1,860 1,865 1,870 5.9,874 3,877 14.25,878 9.917,879 6.292,880 2.933,881 2.944,882 1.374,883 0.996,884 4.865,885 10.817,886 3.738,887 4.379,888 5.041,889 5.675,890 6.291,891 6.767,892 7.283,893 7.768,894 8.141,895 8.491,896 0.714,897 51,898 10.718,900 4.649,901 7.635,902 20.677,904 17.465,905 2.135,906 61.917,910 235.422,911 108.836,912 103.164,914 33,916 31.278,917 77.558,918 268.422,919 103.164,920 19.708,921 22.581,922 32.897,923 123.684,924 32.062,925 6.331,926 243.158,928 235.422,929 180.722,930 33,931 31.278,933 237.75,935 33,937 53.544,938 57.708,939 67.142,940 31.278,941 235.422,942 136.163,943 108.836,946 235.422,947 71.033,948 40.927,950 133.039,951 235.422,952 136.163,953 108.836,955 0.591,956 0.366,957 0.193,958 0.108,959 27,960 11,961 0.073,962 4,963 1,964 1.08,965 3.943,966 282.159,967 0.08,968 25,969 130.881,970 1,974 19.066,975 7.4,976 3.168,977 1.986,978 136.163,979 3.317,980 17.988,983 1.694,984 4.708,986 32.897,987 480.421,988 41,999 51.738,1000 57.86,1001 0.312,1002 0.641,1003 0.801,1004 0.836,1005 0.836,1006 0.836,1007 5.024,1008 1.442,1009 6.033,1010 4.939,1011 4.595,1012 5.066,1013 2.024,1014 6.959,1015 4.432,1016 6.252,1017 1.3,1018 7.668,1019 4.085,1020 4.369,1021 5.027,1022 0.325,1023 8.293,1024 4.185,1025 7.606,1026 1.04,1027 9.418,1028 3.204,1029 6.347,1030 7.345,1031 1.968,1032 11.416,1033 6.055,1034 9,1035 1,1036 11.242,1037 2.352,1038 6.986,1039 8.159,1040 0.268,1041 13.609,1042 6.656,1043 10.431,1044 1,1045 13.116,1046 2.275,1047 8.454,1048 9.975,1049 2.02,1050 16.347,1051 8.038,1052 11.887,1053 0.818,1054 15.024,1055 2.136,1056 9.453,1057 11.171,1058 0.188,1059 18.836,1060 8.982,1061 13.362,1062 0.23,1063 16.958,1064 2.072,1065 10.757,1066 12.804,1067 2.142,1068 21.492,1069 10.21,1070 3.592,1072 18.912,1073 0.356,1074 11.904,1075 14.18,1076 0.125,1077 24.083,1078 11.293,1079 3.187,1080 14.314,1081 20.882,1083 13.161,1084 15.747,1085 2.317,1086 26.727,1087 12.478,1088 2.765,1089 11.345,1090 22.863,1091 4.714,1092 14.37,1093 17.21,1094 0.082,1095 29.356,1096 13.618,1097 2.639,1098 8.956,1099 24.855,1100 3.86,1101 15.62,1102 18.755,1103 2.527,1104 32.003,1105 14.797,1106 2.284,1107 8.821,1108 26.855,1109 3.618,1110 16.856,1111 20.26,1112 0.054,1113 34.647,1114 15.963,1115 1.96,1116 6.141,1117 28.861,1118 3.144,1119 18.109,1120 21.801,1121 2.761,1122 37.299,1123 17.145,1124 1.619,1125 5.9,1126 30.873,1127 3.058,1128 19.36,1129 23.327,1130 0.035,1131 39.95,1132 18.325,1133 9297,1134 15698,1135 22.364,1136 34.137,1137 50.011,1138 51.272,1139 53.093,1140 49.598,1141 49.748,1142 62.24,1143 7.342,1144 153.79,1145 45.469,1146 5.823,1147 5.978,1148 7.527,1149 5.672,1150 5.592,1151 7.714,1152 2.302,1153 22.491,1154 5.289,1155 12.001,1156 1.515,1157 1.554,1158 1.609,1159 1.503,1160 1.508,1161 1.886,1162 0.222,1163 4.66,1164 1.378,1165 4.121,1166 4.139,1167 4.357,1168 4.096,1169 5.245,1170 4.055,1171 3.844,1172 3.883,1173 3.833,1174 3.692,1175 5.018,1176 3.709,1177 3.769,1178 3.819,1179 3.685,1180 3.558,1181 4.797,1182 3.581,1183 3.671,1184 3.707,1185 3.597,1186 3.47,1187 4.616,1188 3.484,1189 3.29,1190 3.362,1191 3.301,1192 3.083,1193 4.562,1194 3.101,1195 3.169,1196 3.251,1197 3.077,1198 2.941,1199 4.357,1200 2.91,1201 3.111,1202 3.206,1203 2.929,1204 2.909,1205 4.226,1206 2.879,1207 3.063,1208 3.145,1209 2.866,1210 2.866,1211 3.962,1212 2.861,1213 0.146,1214 0.121,1215 0.234,1216 0.137,1217 0.109,1218 4.823,1219 0.143,1220 3.978,1221 0.035,1222 7.725,1223 0.434,1224 4.528,1225 0.102,1226 3.592,1227 4.714,1228 1.151,1229 14.314,1230 3.351,1231 1.895,1232 1.861,1233 1.968,1234 2.06,1235 1.244,1236 2.035,1237 1.787,1238 1.776,1239 1.913,1240 1.969,1241 1.218,1242 1.956,1243 1.709,1244 1.659,1245 1.855,1246 1.931,1247 0.981,1248 1.912,1249 1.581,1250 1.538,1251 1.734,1252 1.778,1253 0.825,1254 1.765,1255 1.342,1256 1.306,1257 1.543,1258 1.527,1259 0.811,1260 1.555,1261 1.153,1262 1.064,1263 1.513,1264 1.465,1265 0.677,1266 1.491,1267 1.135,1268 1.044,1269 1.5,1270 1.376,1271 0.563,1272 1.429,1273 1.01,1274 0.947,1275 1.23,1276 1.287,1277 0.325,1278 1.29,1279 4.205,1281 5.602,1282 2.398,1283 7.204,1284 4.844,1285 8.893,1286 7.066,1287 10.627,1289 3.824,1293 5.645,1295 4.035,1297 16.865,1300 2.256,1301 -0.401,1305 32.674,1306 90.211,1307 185.48,1308 231.784,1309 241.784,1310 241.784,1311 241.784,1312 40.653,1313 7.873,1314 108.51,1315 136.75,1316 27,1317 13.013,1318 4.087,1319 3.17,1320 39.19,1321 101,1322 112,1323 0.197,1324 199.452,1325 335.16,1326 478.422,1327 24670,1329 20.01,1330 0.69,1331 0.592,1332 20.363,1333 17.16,1334 14.11,1335 0.428,1336 0.311,1337 9.313,1338 12.895,1339 9.002,1340 7.361,1341 14.518,1342 10.279,1343 12.912,1344 0.264,1345 0.168,1346 13.485,1347 8.246,1348 11.908,1349 0.168,1350 0.098,1351 12.877,1352 6.926,1353 9.718,1354 0.103,1355 0.053,1356 10.833,1357 5.009,1358 8.156,1359 0.065,1360 0.028,1361 9.18,1362 3.539,1363 0.296,1364 94.392,1365 0.211,1366 26.76,1367 0.582,1368 164,1369 503.605,1370 210.191,1371 491.556,1372 682.06,1373 466,1374 202,1375 488.786,1376 254.571,1377 509.149,1378 763.17,1379 476,1380 7.523}
{0 CHEMBL2178615,1 1.744,2 8.478,3 1.833,4 3.358,5 90.099,6 8.422,7 0.615,8 3.809,9 3.927,10 3.537,11 3.35,12 4.921,13 3.332,14 4.343,15 4.519,16 3.908,17 3.739,18 5.43,19 3.701,20 4.483,21 4.672,22 3.973,23 3.813,24 5.527,25 3.763,26 4.515,27 4.74,28 3.846,29 3.827,30 5.517,31 3.726,32 4.419,33 4.613,34 3.845,35 3.829,36 5.364,37 3.727,38 4.441,39 4.611,40 3.866,41 3.846,42 5.479,43 3.751,44 4.492,45 4.694,46 3.661,47 3.728,48 5.491,49 3.61,50 4.499,51 4.816,52 3.183,53 3.423,54 5.324,55 3.254,56 0.061,57 0.668,58 7.271,59 3.321,60 7.056,61 3.948,62 0.343,63 1.053,64 16.625,65 5.9,66 23.334,67 6.901,68 0.338,69 1.195,70 19.263,71 6.02,72 21.889,73 7.892,74 0.386,75 1.21,76 22.811,77 7.347,78 31.612,79 9.122,80 0.233,81 1.112,82 21.246,83 7.631,84 14.279,85 9.197,86 0.296,87 1.159,88 20.31,89 7.324,90 17.751,91 8.407,92 0.244,93 1.106,94 20.036,95 7.093,96 23.167,97 9.315,98 0.404,99 0.908,100 24.526,101 6.995,102 36.945,103 10.068,104 5,105 37,106 0.309,107 0.669,108 0.788,109 0.788,110 0.788,111 0.788,112 3.19,113 0.954,114 -3.21,115 -3.2,116 -3.07,119 38.5,120 1,125 4,143 2,145 2,146 1,147 1,149 1,150 1,151 1,152 1,163 1,164 1,165 1,172 1,174 3,175 5,177 2,178 2,183 1,186 1,187 4,195 1,198 5,199 3,204 1,207 1,209 1,211 1,212 2,220 2,223 2,224 3,226 2,227 2,236 1,237 6,250 1,252 1,253 1,255 1,260 1,262 2,268 2,273 2,275 646,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 13.929,282 16.042,283 9.289,284 16.48,285 12.847,286 12.847,287 12.847,288 12.847,289 12.847,290 10.022,291 18.832,292 4.442,293 13.972,294 3.541,295 1.508,296 0.84,297 0.84,298 0.84,299 0.84,300 3.889,303 1,304 1,305 1,306 431,307 2,310 47.084,311 176.628,314 83.491,318 1.153,319 19.084,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 195,332 4.666,333 3.347,334 6.825,335 4.18,336 3.246,337 4.621,338 0.86,339 11.316,340 3.03,341 4.15,342 2.902,343 6.105,344 3.726,345 2.769,346 3.775,347 0.8,348 8.924,349 2.652,350 3.878,351 2.789,352 6.045,353 3.579,354 2.645,355 3.269,357 8.582,358 2.468,359 3.655,360 2.389,361 5.045,362 3.188,363 2.281,364 3.059,366 6.097,367 2.067,368 3.15,369 2.305,370 5.023,371 2.865,372 1.938,373 2.244,375 5.496,376 1.786,377 2.966,378 1.868,379 4.402,380 2.404,381 1.494,382 2.182,384 4.236,385 1.351,386 2.703,387 1.512,388 4.232,389 2.318,390 1.427,391 1.776,393 3.622,394 1.263,395 2.5,396 1.276,397 3.755,398 2.027,399 1.15,400 1.5,402 2.897,403 0.993,404 2.463,405 1.256,406 3.422,407 1.952,408 1,409 1.456,411 2.275,412 0.946,413 2.073,414 1,415 3.414,416 1.917,417 1,418 1,420 2.136,421 0.916,422 2,423 0.893,424 3.247,425 1.601,426 0.766,427 0.977,428 1.97,429 0.627,430 1.216,431 0.025,432 2.758,433 0.795,434 -0.111,435 -0.141,436 -0.257,437 -0.1,438 0.937,439 -0.178,440 2.617,441 0.525,442 -0.376,443 -0.451,445 -0.93,446 -0.334,447 0.754,448 -0.36,449 2.255,450 0.329,451 -0.6,452 -0.742,454 -1.536,455 -0.552,456 0.5,457 -0.421,458 2,459 0.039,460 -0.908,461 -1,463 -2.347,464 -0.846,465 11.067,466 0.481,467 0.538,468 0.023,469 31.5,470 1.37,471 15,472 0.652,473 16.5,474 0.717,475 17.998,476 0.783,477 24.333,478 0.624,479 20.18,480 0.877,481 5.944,482 0.258,483 5.276,484 0.229,485 0.081,487 0.352,493 0.968,494 1.412,495 0.703,496 0.981,497 1.015,498 0.889,499 1.203,500 0.84,501 0.857,502 0.757,503 0.759,504 0.729,505 1.133,506 1.29,507 0.841,508 0.967,509 0.877,510 0.94,511 0.838,512 0.83,513 1.123,514 0.96,515 0.964,516 0.948,517 0.689,518 1.107,519 1.147,520 1.169,521 0.611,522 0.991,523 0.887,524 1.05,525 1.36,526 1.366,527 0.782,528 1.253,529 0.846,530 1.43,531 1.145,532 1.466,533 0.97,534 1.474,535 0.988,536 0.714,537 0.737,538 0.696,539 1.045,540 0.867,541 4,542 0.025,543 2.889,544 1.257,545 1.093,546 1.115,547 0.524,548 0.188,549 0.226,550 0.087,551 5365,552 15218,553 2.168,554 41,555 3,556 8,557 1,558 2,559 2,564 1.664,565 2.06,566 3.049,567 0.407,568 1,569 1,571 1,573 68.018,574 1.744,575 3.777,576 4.446,577 4.446,578 4.446,579 4.446,580 2.436,581 4.089,582 4.494,583 3.155,584 798.099,585 7.776,586 8771.17,587 1,588 1,590 1,591 206.131,592 1.302,593 4.469,594 0.154,595 0.008,596 0.078,597 0.034,598 0.033,599 0.033,600 0.016,601 0.008,602 0.015,603 0.01,604 0.388,605 0.5,606 1,607 0.503,608 105.005,609 -0.109,610 -0.256,611 0.068,612 -0.034,613 -0.128,614 0.002,615 -0.028,616 0.238,617 0.072,618 0.21,619 0.15,620 0.179,621 -0.093,622 -0.248,623 0.057,624 -0.031,625 -0.007,626 -0.021,627 -0.012,628 0.227,629 -0.086,630 0.055,631 -0.055,632 0.012,633 0.029,634 -0.066,635 -0.042,636 -0.026,637 0.058,638 0.032,639 -0.037,640 0.063,641 -0.3,642 -0.264,643 -0.028,644 -0.299,645 0.005,646 -0.457,647 -0.245,648 -0.501,649 -0.121,650 -0.499,651 -0.016,652 0.063,653 0.166,654 0.145,655 -0.019,656 0.165,657 1.421,658 1.951,659 0.913,660 16.28,661 1.011,662 1.133,663 1.982,664 3.927,665 0.691,666 3.296,667 3.638,668 3.951,669 4.248,670 4.533,671 4.654,672 4.828,673 4.963,674 5.024,675 5.011,676 5.033,677 0.658,678 328.44,679 3.296,680 4.844,681 5.714,682 6.605,683 7.497,684 8.398,685 9.3,686 10.206,687 11.112,688 12.022,689 15.4,693 1,695 1,699 4,703 2,704 3,705 4,708 1,709 5,711 16,722 1,726 1,731 39,733 16,735 26,737 42,738 15,739 10,746 4,747 5,752 1,761 10,762 5,777 1,778 1,781 16,782 7,783 2,784 8,785 1,790 6,794 0.75,795 1,806 2,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 23,849 1,854 4,856 1,859 1,865 1,870 2.6,874 1,877 11.167,878 7.417,879 4.972,880 2.281,881 3.042,882 1.418,883 1.025,884 3.832,885 10.315,886 3.555,887 4.201,888 4.857,889 5.502,890 6.086,891 6.496,892 6.983,893 7.429,894 7.73,895 8.034,896 0.833,897 37,898 8.46,900 3.603,901 7.63,902 16.306,904 13.481,905 2.13,906 49,910 164.795,911 95.059,912 103.164,914 11,916 31.278,917 63.781,918 175.795,919 103.164,920 8.825,921 13.396,922 40.546,923 101.684,924 32.062,925 16.744,926 160.76,928 164.795,929 166.945,930 11,931 31.278,933 167.123,935 11,937 44.359,938 53.115,939 67.142,940 31.278,941 164.795,942 114.164,943 95.059,946 164.795,947 60.49,948 37.693,950 111.039,951 164.795,952 114.164,953 95.059,955 0.585,956 0.345,957 0.189,958 0.111,959 20,960 8,961 0.048,962 2,963 1,964 1.095,965 3.503,966 196.279,967 0.095,968 21,969 96.042,970 1,974 14.729,975 5.984,976 2.75,977 2.1,978 114.164,979 5.44,980 17.584,983 1.682,984 3.749,986 32.897,987 374.018,988 34,999 39.433,1000 44.195,1001 0.33,1002 0.715,1003 0.841,1004 0.841,1005 0.841,1006 0.841,1007 4.796,1008 1.15,1009 5.7,1010 3.622,1011 4.317,1012 4.887,1013 1.235,1014 6.535,1015 4.16,1016 6.009,1017 1,1018 7.27,1019 2.897,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.715,1025 7.327,1026 1,1027 8.943,1028 2.275,1029 5.927,1030 7.161,1031 0.938,1032 10.612,1033 5.642,1034 8.686,1035 0.766,1036 10.676,1037 2.136,1038 6.347,1039 7.901,1040 0.268,1041 12.41,1042 6.035,1043 10.081,1044 -0.111,1045 12.451,1046 1.97,1047 7.84,1048 9.776,1049 0.732,1050 15.06,1051 7.436,1052 11.502,1053 -0.376,1054 14.253,1055 -0.257,1056 8.65,1057 10.927,1058 0.188,1059 17.207,1060 8.204,1061 12.943,1062 -0.6,1063 16.076,1064 -0.93,1065 9.928,1066 12.586,1067 0.57,1068 19.695,1069 9.401,1070 3.246,1071 -0.908,1072 17.913,1073 -1.536,1074 10.922,1075 13.934,1076 0.125,1077 21.993,1078 10.341,1079 2.769,1080 11.316,1081 19.763,1082 -2.347,1083 12.116,1084 15.506,1085 0.438,1086 24.428,1087 11.461,1088 2.645,1089 8.924,1090 21.623,1091 4.621,1092 13.197,1093 16.948,1094 0.082,1095 26.792,1096 12.479,1097 2.281,1098 8.582,1099 23.49,1100 3.775,1101 14.363,1102 18.488,1103 0.334,1104 29.212,1105 13.574,1106 1.938,1107 6.097,1108 25.363,1109 3.269,1110 15.487,1111 19.974,1112 0.054,1113 31.607,1114 14.63,1115 1.494,1116 5.496,1117 27.242,1118 3.059,1119 16.647,1120 21.503,1121 0.252,1122 34.025,1123 15.719,1124 1.427,1125 4.236,1126 29.125,1127 2.244,1128 17.792,1129 23.01,1130 0.035,1131 36.434,1132 16.794,1133 5079,1134 8681,1135 17.8,1136 26.943,1137 39.641,1138 39.688,1139 40.414,1140 39.375,1141 39.43,1142 51.717,1143 3.32,1144 115.103,1145 36.196,1146 5.666,1147 5.347,1148 6.627,1149 5.288,1150 5.246,1151 7.621,1152 1.72,1153 18.689,1154 4.933,1155 8.478,1156 1.525,1157 1.526,1158 1.554,1159 1.514,1160 1.517,1161 1.989,1162 0.128,1163 4.427,1164 1.392,1165 4.09,1166 4.115,1167 4.327,1168 4.06,1169 5.244,1170 4.019,1171 3.808,1172 3.86,1173 3.822,1174 3.671,1175 5.013,1176 3.682,1177 3.73,1178 3.78,1179 3.64,1180 3.523,1181 4.616,1182 3.535,1183 3.325,1184 3.395,1185 3.333,1186 3.119,1187 4.58,1188 3.141,1189 3.111,1190 3.206,1191 3.081,1192 2.941,1193 4.298,1194 2.91,1195 3.065,1196 3.146,1197 2.866,1198 2.917,1199 3.962,1200 2.88,1201 2.861,1202 2.944,1203 2.853,1204 2.666,1205 3.959,1206 2.625,1207 2.783,1208 2.872,1209 2.646,1210 2.475,1211 3.614,1212 2.503,1213 0.179,1214 0.129,1215 0.262,1216 0.161,1217 0.125,1218 4.666,1219 0.178,1220 3.347,1221 0.033,1222 6.825,1223 0.435,1224 4.18,1225 0.117,1226 3.246,1227 4.621,1228 0.86,1229 11.316,1230 3.03,1231 1.894,1232 1.86,1233 1.963,1234 2.059,1235 1.218,1236 2.034,1237 1.709,1238 1.659,1239 1.868,1240 1.932,1241 0.998,1242 1.915,1243 1.62,1244 1.575,1245 1.78,1246 1.798,1247 0.838,1248 1.79,1249 1.459,1250 1.443,1251 1.514,1252 1.58,1253 0.825,1254 1.613,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.711,1260 1.429,1261 1.023,1262 0.957,1263 1.23,1264 1.29,1265 0.274,1266 1.297,1267 0.831,1268 0.74,1269 1.11,1270 1.081,1271 0.221,1272 1.125,1273 0.709,1274 0.629,1275 1.034,1276 1.023,1278 1.058,1279 3.97,1281 5.303,1282 2.398,1283 6.841,1284 4.727,1285 8.468,1286 6.823,1287 10.146,1289 2.068,1293 5.566,1295 3.105,1297 5.451,1300 2.255,1305 25.664,1306 68.018,1307 147.322,1308 173.376,1309 173.376,1310 173.376,1311 173.376,1312 25.869,1313 7.273,1314 90.05,1315 118.29,1316 23,1317 12.538,1318 4.087,1319 3.17,1320 31.587,1321 70,1322 76,1323 0.23,1324 160.483,1325 260.74,1326 383.339,1327 12582,1329 15.811,1330 0.687,1331 0.587,1332 16.165,1333 13.507,1334 11.22,1335 0.432,1336 0.318,1337 7.323,1338 10.241,1339 7.076,1340 5.813,1341 11.674,1342 8.266,1343 10.196,1344 0.276,1345 0.17,1346 10.72,1347 6.276,1348 8.918,1349 0.175,1350 0.096,1351 9.699,1352 4.898,1353 7.461,1354 0.108,1355 0.052,1356 8.318,1357 3.594,1358 6.382,1359 0.069,1360 0.027,1361 7.073,1362 2.456,1363 0.345,1364 75.452,1365 0.237,1366 22.02,1367 0.68,1368 126,1369 376.134,1370 162.429,1371 383.117,1372 533.65,1373 362,1374 151,1375 386.262,1376 188.473,1377 404.782,1378 599.32,1379 380,1380 8.046}
{0 CHEMBL2203302,1 1.843,2 10,3 1.17,4 1.369,5 81.761,6 9.011,7 0.667,8 3.696,9 3.802,10 3.47,11 3.242,12 4.922,13 3.235,14 4.156,15 4.306,16 3.872,17 3.567,18 5.414,19 3.545,20 4.234,21 4.396,22 3.758,23 3.555,24 5.427,25 3.51,26 4.222,27 4.388,28 3.787,29 3.554,30 5.406,31 3.482,32 4.162,33 4.329,34 3.586,35 3.409,36 5.386,37 3.395,38 4.094,39 4.294,40 3.384,41 3.338,42 5.206,43 3.275,44 3.983,45 4.161,46 3.307,47 3.27,48 5.222,49 3.189,50 3.973,51 4.197,52 3.256,53 3.195,54 5.086,55 3.091,56 0.099,57 0.579,58 5.38,59 2.908,60 5.945,61 3.048,62 0.335,63 0.875,64 12.031,65 4.658,66 20.645,67 5.381,68 0.408,69 0.89,70 14.865,71 5.125,72 36.912,73 4.802,74 0.321,75 0.884,76 18.582,77 6.209,78 22.816,79 6.522,80 0.459,81 0.808,82 15.147,83 4.478,84 28.01,85 4.473,86 0.28,87 0.729,88 12.57,89 4.763,90 20.503,91 5.597,92 0.369,93 0.636,94 10.452,95 4.171,96 35.72,97 4.545,98 0.315,99 0.623,100 15.322,101 4.785,102 29.221,103 5.616,104 12,105 33,106 0.334,107 0.698,108 0.803,109 0.879,110 0.879,111 0.879,112 3.146,113 0.914,114 -2.74,115 -2.75,116 -2.67,119 40,120 2,142 2,144 1,145 3,146 1,152 2,158 1,162 2,172 1,174 1,175 4,178 4,180 3,187 2,190 1,192 1,195 1,198 2,199 6,204 1,207 1,211 3,212 3,215 1,217 1,224 1,227 2,229 1,232 1,236 1,237 1,241 1,245 1,249 1,250 3,258 2,262 1,263 2,266 1,268 2,271 1,275 654,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.604,282 18.752,283 8.864,284 15.188,285 11.905,286 11.905,287 11.905,288 11.905,289 11.905,290 8.744,291 30.647,292 4.295,293 12.682,294 3.286,295 1.275,296 0.693,297 0.272,298 0.272,299 0.272,300 3.824,304 1,305 1,306 468,307 2.828,310 124.538,311 76.695,318 1.636,319 20.876,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48.5,331 220,332 4.463,333 3.537,334 6.513,335 4.025,336 3.095,337 4.171,338 1.907,339 10.228,340 2.888,341 4.053,342 3.141,343 5.652,344 3.627,345 2.694,346 3.624,347 0.4,348 7.886,349 2.513,350 3.834,351 2.83,352 5.405,353 3.403,354 2.449,355 3.386,356 0.149,357 7.107,358 2.328,359 3.59,360 2.454,361 5.115,362 3.206,363 2.228,364 2.824,366 6.2,367 2.17,368 3.226,369 2.137,370 4.738,371 2.794,372 1.836,373 2.427,375 5.01,376 1.737,377 2.966,378 1.846,379 4.33,380 2.524,381 1.589,382 2.114,384 4.155,385 1.459,386 2.828,387 1.451,388 3.859,389 2.344,390 1.397,391 1.957,393 3.065,394 1.319,395 2.5,396 1,397 3.57,398 1.956,399 1,400 1.5,402 2.559,403 0.954,404 2.369,405 0.99,406 3.271,407 1.807,408 0.921,409 1.312,411 2.136,412 0.803,413 2.139,414 0.673,415 3.247,416 1.555,417 0.643,418 0.96,420 1.633,421 0.579,422 1.179,423 0.563,424 2.762,425 0.828,426 -0.108,427 -0.134,428 -0.286,429 -0.101,430 1.026,431 0.042,432 2.529,433 0.67,434 -0.274,435 -0.318,436 -0.726,437 -0.255,438 0.633,439 -0.011,440 2.363,441 0.283,442 -0.632,443 -0.76,445 -1.63,446 -0.566,447 0.5,448 -0.361,449 1.702,450 0.096,451 -0.922,452 -1.201,454 -2,455 -0.865,456 0.465,457 -0.803,458 1.611,459 0.026,460 -1,461 -1.332,463 -2.224,464 -0.975,465 10.5,466 0.477,467 0.558,468 0.025,469 31.75,470 1.443,471 16.5,472 0.75,473 15.25,474 0.693,475 15.024,476 0.683,477 23.1,478 0.66,479 20.011,480 0.91,481 6.285,482 0.286,483 4.329,484 0.197,485 0.127,487 0.333,493 0.884,494 1.356,495 0.687,496 0.946,497 0.654,498 0.849,499 0.643,500 1.075,501 0.692,502 0.931,503 0.557,504 0.805,505 1.541,506 1.016,507 1.188,508 0.968,509 1.563,510 0.954,511 0.817,512 1.32,513 1.312,514 1.484,515 0.549,516 1.11,517 1.445,518 0.925,519 1.274,520 1.009,521 0.954,522 0.941,523 0.964,524 1.019,525 0.921,526 1.02,527 0.742,528 1.093,529 1.171,530 0.8,531 1.014,532 0.861,533 1.516,534 1.085,535 0.952,536 0.959,537 1.073,538 1.007,539 0.93,540 0.898,541 5,542 0.07,543 1.556,544 1.729,545 0.891,546 0.629,547 0.384,548 0.203,549 0.203,550 0.079,551 5188,552 17074,553 2.07,554 37.1,556 2,558 3,559 2,560 6,564 1.642,565 1.941,566 3.304,567 0.438,569 1,571 1,573 64.507,574 1.843,575 3.854,576 4.436,577 4.858,578 4.858,579 4.858,580 2.799,581 4.005,582 4.427,583 3.46,584 799.146,585 7.591,586 8911.57,587 1,588 1,591 179.525,592 1.395,593 4.392,594 0.208,595 0.008,596 0.047,597 0.062,598 0.032,599 0.024,600 0.018,601 0.011,602 0.012,603 0.006,604 0.429,605 0.33,606 1,607 1,608 102.256,609 -0.13,610 -0.234,611 0.049,612 -0.028,613 -0.102,614 -0.003,615 0.276,616 -0.003,617 0.235,618 0.047,619 0.156,620 0.098,621 -0.367,622 0.043,623 -0.161,624 0.04,625 -0.375,626 -0.069,627 0.113,628 -0.281,629 -0.024,630 -0.261,631 0.165,632 -0.104,633 -0.178,634 0.126,635 -0.285,636 -0.055,637 -0.126,638 -0.077,639 -0.051,640 -0.079,641 -0.067,642 -0.125,643 0.013,644 -0.123,645 -0.061,646 0.144,647 -0.149,648 0.056,649 -0.135,650 -0.143,651 0.009,652 -0.063,653 0.097,654 0.095,655 0.079,656 0.184,657 1.822,658 4.081,659 0.727,660 19.975,661 1.022,662 1.128,663 1.51,664 2.28,665 0.704,666 3.219,667 3.526,668 3.738,669 4.025,670 4.111,671 4.19,672 4.304,673 4.304,674 4.357,675 4.369,676 5.918,677 0.681,678 315.39,679 3.219,680 4.745,681 5.572,682 6.444,683 7.292,684 8.171,685 9.03,686 9.912,687 10.778,688 11.661,689 14.3,696 1,697 1,699 3,704 5,705 3,707 1,708 1,709 6,711 16,724 1,731 35,733 17,735 24,737 37,738 14,739 11,746 3,747 3,752 2,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 13,782 7,783 2,784 8,785 1,790 5,794 1,795 2,799 1,805 1,811 2,812 1,826 1,840 3,842 1,844 2,848 22,855 2,863 1,870 5.7,873 1,875 1,877 11.333,878 7.017,879 4.806,880 1.906,881 2.947,882 1.433,883 0.99,884 4.27,885 9.748,886 3.526,887 4.127,888 4.649,889 5.259,890 5.583,891 5.864,892 6.275,893 6.576,894 6.893,895 7.143,896 0.857,897 28,898 8.044,900 3.335,901 7.864,902 15.02,904 11.73,905 2.364,906 52,910 129.482,911 117.14,912 86.378,914 34.652,916 31.278,917 85.862,918 164.134,919 86.378,920 17.65,921 18.011,922 18.952,923 115.519,924 65.266,925 6.807,926 125.447,928 129.482,929 172.241,930 34.652,931 31.278,933 129.482,934 34.652,937 88.663,938 33.221,939 50.357,940 31.278,941 129.482,942 121.03,943 117.14,946 129.482,947 53.395,948 63.745,949 36.022,950 85.009,951 129.482,952 121.03,953 117.14,955 0.576,956 0.313,957 0.177,958 0.09,959 16,960 7,961 0.108,962 4,964 1,965 3.516,966 166.408,968 16,969 98.107,970 1,974 14.818,975 6.34,976 3.577,978 121.03,979 8.673,980 12.485,982 5.68,983 1.344,984 3.9,986 36.022,987 367.653,988 33,993 11.081,997 -0.156,999 35.774,1000 39.491,1001 0.359,1002 0.751,1003 0.865,1004 0.947,1005 0.947,1006 0.947,1007 4.736,1008 1,1009 5.549,1010 3.065,1011 4.205,1012 4.812,1013 1.997,1014 6.319,1015 4.081,1016 5.945,1017 0.921,1018 7.076,1019 2.559,1020 3.761,1021 4.543,1022 1.593,1023 7.096,1024 3.604,1025 7.241,1026 0.643,1027 8.698,1028 2.136,1029 5.753,1030 6.972,1031 2.907,1032 10.188,1033 5.504,1034 8.57,1035 -0.108,1036 10.376,1037 1.633,1038 6.111,1039 7.528,1040 3.032,1041 11.823,1042 5.809,1043 9.928,1044 -0.274,1045 12.092,1046 -0.286,1047 7.579,1048 9.4,1049 4.038,1050 14.414,1051 7.2,1052 11.307,1053 -0.632,1054 13.836,1055 -0.726,1056 8.319,1057 10.362,1058 4.409,1059 16.426,1060 7.871,1061 12.704,1062 -0.922,1063 15.601,1064 -1.63,1065 9.571,1066 11.986,1067 5.25,1068 18.841,1069 9.054,1070 3.095,1071 -1,1072 17.383,1073 -2,1074 10.5,1075 13.161,1076 5.75,1077 21.025,1078 9.906,1079 2.694,1080 10.228,1081 19.18,1082 -2.224,1083 11.661,1084 14.669,1085 6.501,1086 23.378,1087 11.001,1088 2.449,1089 7.886,1090 20.988,1091 4.171,1092 12.684,1093 15.956,1094 7.068,1095 25.637,1096 11.946,1097 2.228,1098 7.107,1099 22.805,1100 3.624,1101 13.811,1102 17.41,1103 7.771,1104 27.969,1105 13.006,1106 1.836,1107 6.2,1108 24.632,1109 3.386,1110 14.881,1111 18.757,1112 8.374,1113 30.263,1114 14,1115 1.589,1116 5.01,1117 26.465,1118 2.824,1119 15.998,1120 20.188,1121 9.051,1122 32.588,1123 15.048,1124 1.397,1125 4.155,1126 28.304,1127 2.427,1128 17.091,1129 21.568,1130 9.674,1131 34.898,1132 16.068,1133 5077,1134 9354,1135 16.008,1136 24.631,1137 36.434,1138 36.332,1139 36.426,1140 35.65,1141 35.706,1142 48.548,1143 4.912,1144 99.955,1145 33.5,1146 5.225,1147 5.537,1148 6.315,1149 5.158,1150 5.095,1151 7.171,1152 3.306,1153 17.069,1154 4.827,1155 10.282,1156 1.518,1157 1.514,1158 1.518,1159 1.485,1160 1.488,1161 2.023,1162 0.205,1163 4.165,1164 1.396,1165 3.997,1166 4.017,1167 4.264,1168 3.916,1169 7.43,1170 3.881,1171 3.847,1172 3.886,1173 3.847,1174 3.741,1175 5.18,1176 3.742,1177 3.673,1178 3.709,1179 3.673,1180 3.448,1181 4.891,1182 3.482,1183 3.486,1184 3.533,1185 3.42,1186 3.269,1187 4.77,1188 3.287,1189 3.023,1190 3.115,1191 2.997,1192 2.894,1193 3.975,1194 2.823,1195 2.973,1196 3.054,1197 2.869,1198 2.802,1199 3.93,1200 2.798,1201 2.755,1202 2.843,1203 2.619,1204 2.529,1205 3.808,1206 2.544,1207 2.628,1208 2.729,1209 2.495,1210 2.376,1211 3.772,1212 2.378,1213 0.186,1214 0.147,1215 0.271,1216 0.168,1217 0.129,1218 4.463,1219 0.174,1220 3.537,1221 0.079,1222 6.513,1223 0.426,1224 4.025,1225 0.12,1226 3.095,1227 4.171,1228 1.907,1229 10.228,1230 2.888,1231 1.821,1232 1.78,1233 1.934,1234 1.974,1235 0.946,1236 1.964,1237 1.617,1238 1.607,1239 1.759,1240 1.793,1241 0.896,1242 1.774,1243 1.525,1244 1.478,1245 1.721,1246 1.732,1247 0.739,1248 1.741,1249 1.28,1250 1.22,1251 1.447,1252 1.554,1253 0.552,1254 1.5,1255 1.231,1256 1.188,1257 1.334,1258 1.476,1259 0.316,1260 1.48,1261 1.031,1262 0.994,1263 1.173,1264 1.249,1265 0.264,1266 1.28,1267 0.814,1268 0.758,1269 1.054,1270 1.029,1271 0.04,1272 1.046,1273 0.68,1274 0.594,1275 0.943,1276 0.955,1278 0.958,1279 3.892,1281 5.198,1282 3.045,1283 6.668,1284 5.352,1285 8.214,1286 7.391,1287 9.804,1289 3.3,1296 5.692,1305 23.831,1306 64.507,1307 134.896,1308 155.26,1309 170.015,1310 170.015,1311 170.015,1312 28.609,1313 6.8,1314 92.94,1315 121.18,1316 16,1317 12.198,1318 4.17,1319 3.322,1320 34.608,1321 77,1322 72,1323 0.222,1324 152.559,1325 250.95,1326 364.003,1327 7499,1329 15.527,1330 0.706,1331 0.58,1332 15.88,1333 12.77,1334 10.614,1335 0.442,1336 0.305,1337 6.447,1338 9.661,1339 6.177,1340 5.168,1341 11.022,1342 7.315,1343 9.787,1344 0.297,1345 0.167,1346 10.429,1347 5.51,1348 7.425,1349 0.181,1350 0.093,1351 8.262,1352 3.809,1353 6.541,1354 0.119,1355 0.051,1356 7.495,1357 2.785,1358 4.597,1359 0.077,1360 0.026,1361 5.317,1362 1.571,1363 0.349,1364 71.34,1365 0.25,1366 21.942,1367 0.603,1368 114,1369 395.933,1370 156.759,1371 399.765,1372 546.2,1373 374,1374 131,1375 392.553,1376 169.94,1377 408.756,1378 594.51,1379 383,1380 6.991}
{0 CHEMBL2204552,1 1.734,2 9.12,3 2.868,4 8.225,5 90.924,6 8.326,7 0.429,8 3.859,9 3.958,10 3.515,11 3.372,12 5.053,13 3.396,14 4.392,15 4.531,16 3.9,17 3.762,18 5.612,19 3.774,20 4.625,21 4.795,22 3.998,23 3.891,24 5.814,25 3.892,26 4.658,27 4.84,28 3.968,29 3.826,30 5.97,31 3.83,32 4.585,33 4.762,34 3.902,35 3.773,36 5.896,37 3.78,38 4.455,39 4.602,40 3.808,41 3.733,42 5.746,43 3.731,44 4.459,45 4.624,46 3.73,47 3.665,48 5.928,49 3.631,50 4.394,51 4.617,52 3.383,53 3.535,54 5.432,55 3.443,56 0.126,57 0.671,58 6.821,59 3.635,60 14.017,61 4.024,62 0.451,63 1.063,64 14.316,65 6.102,66 30.306,67 6.956,68 0.515,69 1.318,70 19.818,71 7.827,72 43.644,73 9.142,74 0.746,75 1.334,76 22.117,77 7.844,78 74.917,79 9.172,80 0.861,81 1.25,82 21.115,83 7.395,84 79.086,85 8.18,86 0.44,87 1.13,88 15.936,89 6.694,90 53.876,91 7.28,92 0.736,93 1.108,94 16.853,95 6.428,96 94.124,97 7.661,98 0.382,99 0.953,100 17.361,101 6.563,102 41.963,103 8.535,104 10,105 40,106 0.304,107 0.658,108 0.759,109 0.825,110 0.846,111 0.846,112 3.268,113 0.852,114 -4.2,115 -4.14,116 -3.91,119 43.9,125 4,142 6,143 3,144 3,158 1,159 1,163 1,164 1,165 1,172 7,174 4,175 4,180 2,183 9,185 2,186 1,187 5,192 1,195 8,197 1,198 2,199 8,204 1,207 5,209 1,211 2,212 9,217 1,220 5,222 1,224 4,229 1,232 2,234 1,236 1,237 8,239 1,240 1,242 2,247 2,250 3,255 1,260 1,263 2,265 3,266 3,275 882,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.207,282 19.01,283 9.977,284 17.476,285 13.831,286 13.831,287 13.831,288 13.831,289 13.831,290 11.046,291 21.049,292 4.74,293 14.621,294 3.624,295 1.604,296 1.031,297 0.653,298 0.537,299 0.537,300 3.966,303 1,304 1,305 1,306 498,307 2.121,311 252.147,315 97.435,318 1.264,319 37.349,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 228,332 4.592,333 3.746,334 6.859,335 4.217,336 3.247,337 4.285,338 1.724,339 11.424,340 3.157,341 4.245,342 3.257,343 6.314,344 3.855,345 2.903,346 3.822,347 1.009,348 9.509,349 2.784,350 3.926,351 3.229,352 6.061,353 3.602,354 2.669,355 3.269,356 0.86,357 8.698,358 2.458,359 3.662,360 2.834,361 5.477,362 3.303,363 2.316,364 2.954,365 0.65,366 6.86,367 2.275,368 3.31,369 2.429,370 4.955,371 2.894,372 1.934,373 2.543,374 0.097,375 5.57,376 1.845,377 3.024,378 2.27,379 4.543,380 2.72,381 1.828,382 2.119,384 4.675,385 1.621,386 2.886,387 1.97,388 4.48,389 2.443,390 1.492,391 2.007,393 4.122,394 1.402,395 2.821,396 1.822,397 3.928,398 2.38,399 1.417,400 1.895,402 3.202,403 1.355,404 2.585,405 1.517,406 3.803,407 2.129,408 1.171,409 1.579,411 2.98,412 1.117,413 2.211,414 1.282,415 3.477,416 1.952,417 1,418 1.152,420 2.476,421 0.946,422 2,423 1.256,424 3.247,425 1.911,426 1,427 1,428 2.136,429 0.899,430 1.524,431 0.823,432 2.9,433 1.106,434 0.15,435 0.189,436 0.368,437 0.141,438 1.213,439 0.366,440 2.697,441 0.741,442 -0.217,443 -0.285,445 -0.548,446 -0.202,447 0.8,448 0.026,449 2.53,450 0.453,451 -0.492,452 -0.596,454 -1.242,455 -0.453,456 0.776,457 -0.163,458 2.359,459 0.391,460 -0.514,461 -0.621,463 -1.283,464 -0.461,465 11.486,466 0.459,467 0.627,468 0.025,469 33,470 1.32,471 16,472 0.64,473 17,474 0.68,475 18.356,476 0.734,477 26.914,478 0.656,479 25.664,480 1.027,481 6.791,482 0.272,483 5.34,484 0.214,485 0.089,487 0.383,491 1,493 0.743,494 1.113,495 0.667,496 1.056,497 0.617,498 0.88,499 0.848,500 0.889,501 0.797,502 0.89,503 0.578,504 0.845,505 1.005,506 1.077,507 0.884,508 1.022,509 0.829,510 0.936,511 1.112,512 1.023,513 0.942,514 0.96,515 0.97,516 0.915,517 1.282,518 1,519 1.022,520 0.82,521 1.332,522 0.832,523 1.22,524 1.218,525 1.082,526 1.161,527 1.473,528 1.105,529 0.835,530 0.996,531 1.134,532 1.172,533 1.171,534 1.237,535 0.768,536 1.066,537 1.089,538 1.23,539 0.771,540 1.255,541 4.5,542 0.062,543 3.111,544 1.813,545 1.542,546 1.042,547 0.71,548 0.382,549 0.209,550 0.097,551 6610,552 20358,553 2.13,554 39,556 14,559 2,564 1.687,565 2,566 3.171,567 0.312,568 1,569 1,571 1,573 71.091,574 1.734,575 3.753,576 4.327,577 4.705,578 4.821,579 4.821,580 2.634,581 4.214,582 4.616,583 3.263,584 978.855,585 8.016,586 11351,587 1,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.161,595 0.009,596 0.078,597 0.042,598 0.039,599 0.027,600 0.02,601 0.013,602 0.01,603 0.007,604 0.405,605 0.5,606 1,607 0.553,608 117.756,609 -0.076,610 -0.101,611 0.039,612 -0.048,613 -0.071,614 0.019,615 0.013,616 0.074,617 0.036,618 0.085,619 0.039,620 0.066,621 -0.091,622 -0.096,623 0.024,624 -0.041,625 -0.036,626 0.015,627 -0.021,628 -0.033,629 0.037,630 0.005,631 0.043,632 0.03,633 -0.037,634 0.119,635 -0.023,636 0.165,637 -0.096,638 0.103,639 -0.207,640 -0.196,641 -0.194,642 -0.166,643 -0.197,644 -0.177,645 0.185,646 0.025,647 -0.211,648 -0.203,649 0.146,650 -0.309,651 -0.05,652 -0.231,653 -0.124,654 -0.249,655 -0.058,656 -0.221,657 2.139,658 6.377,659 0.88,660 18.714,661 1.024,662 1.131,663 2.966,664 8.798,665 0.674,666 3.367,667 3.714,668 4.025,669 4.331,670 4.615,671 4.71,672 4.875,673 4.997,674 5.112,675 5.106,676 5.348,677 0.665,678 341.37,679 3.367,680 4.92,681 5.79,682 6.686,683 7.575,684 8.478,685 9.376,686 10.283,687 11.185,688 12.093,689 7.3,692 1,693 1,698 1,704 6,709 6,711 12,722 1,729 1,730 1,731 41,733 14,734 2,735 28,737 44,738 18,739 12,740 6,741 6,742 2,746 4,747 5,761 14,762 4,766 2,771 1,774 1,775 2,777 1,778 1,779 1,781 16,782 7,783 2,784 7,790 3,794 0.75,795 3,812 4,816 1,836 1,839 1,840 3,846 1,848 25,849 1,854 4,856 2,859 1,869 1,870 7.3,873 1,874 1,875 1,877 12.5,878 7.376,879 5.417,880 2.407,881 2.798,882 1.371,883 1.016,884 4.155,885 10.336,886 3.611,887 4.205,888 4.796,889 5.381,890 5.946,891 6.253,892 6.662,893 7.047,894 7.409,895 7.643,896 1,897 43,898 9.308,900 4.134,901 7.993,902 17.29,904 14.371,905 2.493,906 62.333,909 1,910 164.795,911 106.022,912 52.807,914 47.145,915 14.96,917 106.022,918 211.94,919 67.767,921 13.396,922 89.755,923 40.849,924 57.588,925 19.346,926 164.795,928 164.795,929 158.829,930 62.105,933 179.756,934 36.145,935 11,937 33.306,938 125.523,941 179.756,942 99.952,943 106.022,946 164.795,947 49.165,948 59.982,950 111.788,951 164.795,952 114.912,953 106.022,955 0.586,956 0.35,957 0.198,958 0.112,959 21,960 9,961 0.045,962 2,963 1,964 1.091,965 3.612,966 220.712,967 0.091,968 22,969 112.096,974 16.062,975 6.467,976 2.99,978 114.912,979 9.448,984 1.294,986 32.897,987 385.729,988 36,993 12.422,996 4.031,997 -0.176,999 41.985,1000 46.369,1001 0.324,1002 0.701,1003 0.808,1004 0.878,1005 0.9,1006 0.9,1007 4.868,1008 1.417,1009 5.784,1010 4.122,1011 4.394,1012 4.89,1013 2.353,1014 6.629,1015 4.295,1016 6.074,1017 1.171,1018 7.362,1019 3.202,1020 4.007,1021 4.718,1022 1.176,1023 7.591,1024 3.874,1025 7.39,1026 1,1027 9.043,1028 2.98,1029 6.014,1030 7.065,1031 2.853,1032 10.735,1033 5.836,1034 8.741,1035 1,1036 10.786,1037 2.476,1038 6.447,1039 7.707,1040 2.373,1041 12.536,1042 6.244,1043 10.125,1044 0.15,1045 12.567,1046 2.136,1047 7.933,1048 9.546,1049 3.639,1050 15.2,1051 7.691,1052 11.533,1053 -0.217,1054 14.376,1055 0.368,1056 8.751,1057 10.577,1058 3.574,1059 17.347,1060 8.486,1061 12.96,1062 -0.492,1063 16.205,1064 -0.548,1065 10.026,1066 12.198,1067 4.574,1068 19.846,1069 9.728,1070 3.247,1071 -0.514,1072 18.048,1073 -1.242,1074 11.024,1075 13.426,1076 4.746,1077 22.143,1078 10.702,1079 2.903,1080 11.424,1081 19.903,1082 -1.283,1083 12.217,1084 14.948,1085 5.58,1086 24.586,1087 11.866,1088 2.669,1089 9.509,1090 21.767,1091 4.285,1092 13.298,1093 16.277,1094 5.891,1095 26.951,1096 12.924,1097 2.316,1098 8.698,1099 23.637,1100 3.822,1101 14.462,1102 17.753,1103 6.622,1104 29.377,1105 14.062,1106 1.934,1107 6.86,1108 25.514,1109 3.269,1110 15.584,1111 19.135,1112 7.017,1113 31.774,1114 15.16,1115 1.828,1116 5.57,1117 27.397,1118 2.954,1119 16.74,1120 20.592,1121 7.682,1122 34.198,1123 16.291,1124 1.492,1125 4.675,1126 29.283,1127 2.543,1128 17.882,1129 22.003,1130 8.13,1131 36.611,1132 17.409,1133 6291,1134 11159,1135 18.898,1136 27.648,1137 42.715,1138 44.087,1139 43.516,1140 42.309,1141 42.251,1142 53.63,1143 8.682,1144 124.035,1145 39.996,1146 5.592,1147 5.746,1148 6.661,1149 5.338,1150 5.247,1151 7.285,1152 3.122,1153 18.932,1154 5.157,1155 10.729,1156 1.526,1157 1.575,1158 1.554,1159 1.511,1160 1.509,1161 1.915,1162 0.31,1163 4.43,1164 1.428,1165 4.049,1166 4.066,1167 4.02,1168 3.974,1169 8.201,1170 3.981,1171 3.841,1172 3.879,1173 3.796,1174 3.721,1175 7.431,1176 3.732,1177 3.742,1178 3.786,1179 3.641,1180 3.546,1181 5.098,1182 3.563,1183 3.374,1184 3.406,1185 3.317,1186 3.154,1187 4.913,1188 3.192,1189 3.111,1190 3.206,1191 3.018,1192 2.941,1193 4.622,1194 2.938,1195 3.098,1196 3.168,1197 2.866,1198 2.926,1199 4.477,1200 2.91,1201 2.92,1202 2.961,1203 2.861,1204 2.733,1205 4.298,1206 2.735,1207 2.889,1208 2.948,1209 2.777,1210 2.631,1211 3.839,1212 2.667,1213 0.164,1214 0.134,1215 0.245,1216 0.151,1217 0.116,1218 4.592,1219 0.153,1220 3.746,1221 0.062,1222 6.859,1223 0.408,1224 4.217,1225 0.113,1226 3.247,1227 4.285,1228 1.724,1229 11.424,1230 3.157,1231 1.994,1232 1.98,1233 2.061,1234 2.088,1235 1.209,1236 2.076,1237 1.788,1238 1.762,1239 1.921,1240 1.968,1241 1.18,1242 1.955,1243 1.686,1244 1.631,1245 1.865,1246 1.872,1247 0.943,1248 1.87,1249 1.258,1250 1.23,1251 1.513,1252 1.51,1253 0.825,1254 1.468,1255 1.153,1256 1.064,1257 1.352,1258 1.376,1259 0.344,1260 1.429,1261 1.037,1262 0.988,1263 1.254,1264 1.3,1265 0.266,1266 1.292,1267 0.86,1268 0.804,1269 1.102,1270 1.117,1271 0.191,1272 1.092,1273 0.786,1274 0.734,1275 1.068,1276 1.068,1277 0.145,1278 1.075,1279 4.043,1281 5.38,1283 6.93,1285 8.579,1287 10.279,1291 14.377,1293 5.622,1295 2.245,1297 11.222,1300 1.848,1305 27.28,1306 71.091,1307 153.885,1308 177.395,1309 192.905,1310 197.66,1311 197.66,1312 47.671,1313 7.538,1314 81.59,1315 81.59,1316 24,1317 12.611,1318 3.907,1319 3.17,1320 35.651,1321 78,1322 84,1323 0.224,1324 164.01,1325 293.04,1326 391.944,1327 18298,1328 2.4,1329 17.389,1330 0.696,1331 0.535,1332 16.518,1333 13.367,1334 12.131,1335 0.433,1336 0.284,1337 7.793,1338 11.504,1339 7.698,1340 6.285,1341 11.72,1342 7.953,1343 11.089,1344 0.277,1345 0.146,1346 10.549,1347 5.823,1348 9.519,1349 0.173,1350 0.076,1351 9.138,1352 4.201,1353 8.336,1354 0.111,1355 0.039,1356 7.779,1357 2.928,1358 6.941,1359 0.069,1360 0.02,1361 6.758,1362 2.018,1363 0.338,1364 77.318,1365 0.23,1366 23.675,1367 0.655,1368 136,1369 495.92,1370 154.903,1371 442.802,1372 596.15,1373 414,1374 163,1375 433.358,1376 182.066,1377 428.005,1378 636.65,1379 403,1380 5.467}
{0 CHEMBL2204778,1 2.039,2 7.895,3 0.296,4 0.088,5 69.186,6 10.046,7 0.5,8 3.544,9 3.609,10 3.576,11 3.146,12 4.736,13 3.09,14 4.061,15 4.179,16 3.913,17 3.429,18 5.575,19 3.41,20 4.131,21 4.235,22 3.795,23 3.391,24 5.687,25 3.358,26 4.04,27 4.149,28 3.747,29 3.418,30 5.408,31 3.352,32 3.974,33 4.118,34 3.521,35 3.299,36 5.235,37 3.201,38 3.915,39 4.1,40 3.536,41 3.19,42 5.124,43 3.086,44 3.837,45 3.943,46 3.269,47 3.034,48 5.42,49 2.98,50 3.879,51 4.104,52 2.76,53 2.743,54 5.236,55 2.631,56 0.157,57 0.493,58 5.197,59 3.361,60 21.507,61 2.743,62 0.462,63 0.747,64 15.62,65 5.278,66 62.886,67 5,68 0.766,69 0.715,70 12.283,71 4.923,72 96.245,73 3.429,74 0.419,75 0.721,76 15.622,77 5.673,78 38.263,79 4.773,80 0.431,81 0.665,82 14.127,83 5.038,84 40.183,85 4.087,86 0.354,87 0.591,88 12.428,89 4.796,90 40.009,91 4.897,92 0.433,93 0.518,94 13.814,95 4.571,96 53.502,97 3.955,98 0.603,99 0.446,100 13.555,101 3.944,102 74.541,103 4.082,104 42,105 30,106 0.386,107 0.711,108 0.788,109 0.826,110 0.826,111 0.826,112 3.01,113 1.184,114 -2.12,115 -2.16,116 -2.14,119 33.3,120 2,124 1,145 1,146 1,152 2,158 1,162 2,174 2,175 3,178 2,180 2,186 4,187 1,195 1,198 2,199 4,204 1,207 1,211 1,212 1,215 1,224 3,227 1,232 1,236 3,237 3,249 1,250 1,253 2,275 421,276 11.781,277 11.781,278 11.781,279 11.781,280 11.781,281 10.095,282 12.417,283 6.69,284 12.345,285 9.879,286 9.879,287 9.879,288 9.879,289 9.879,290 7.229,291 15.631,292 3.198,293 10.879,294 2.868,295 1.151,296 0.742,297 0.542,298 0.542,299 0.542,300 3.651,304 1,305 1,306 302,307 3.536,310 108.882,318 1.374,319 32.269,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 43.5,331 150,332 4.816,333 5.181,334 7.122,335 4.207,336 3.339,337 4.679,338 2.95,339 11.722,340 2.929,341 4.424,342 3.537,343 6.494,344 3.951,345 3.043,346 4.12,347 1.907,348 10.141,349 2.707,350 3.825,351 3.124,352 5.459,353 3.396,354 2.453,355 3.332,356 0.149,357 7.246,358 2.309,359 3.534,360 2.683,361 5.023,362 3.102,363 2.119,364 2.769,366 5.816,367 2.061,368 3.101,369 2.257,370 4.5,371 2.607,372 1.671,373 2.267,375 4.423,376 1.528,377 2.816,378 1.949,379 4.322,380 2.328,381 1.412,382 1.911,384 4.01,385 1.279,386 2.292,387 1.159,388 3.82,389 1.701,390 0.806,391 1.181,393 2.365,394 0.708,395 2.137,396 0.685,397 3.272,398 1.554,399 0.641,400 0.957,402 1.614,403 0.579,404 1.027,405 0.566,406 2.698,407 0.671,408 -0.273,409 -0.317,411 -0.724,412 -0.253,413 1,414 0.452,415 2.524,416 0.282,417 -0.629,418 -0.753,420 -1.646,421 -0.561,422 0.628,423 -0.009,424 2.307,425 0.095,426 -1,427 -1.178,428 -2,429 -0.775,430 0.407,431 -0.213,432 2,434 -1,435 -1.308,436 -3,437 -1,438 0.345,439 -0.386,440 2,441 -0.192,442 -1,443 -1.525,445 -3,446 -1.018,447 0.104,448 -1,449 1.701,450 -0.276,451 -1.176,452 -1.738,454 -3.414,455 -1.091,456 0.01,457 -1.062,458 1.569,459 -0.432,460 -1.339,461 -1.928,463 -4.134,464 -1.184,465 9.2,466 0.484,467 0.816,468 0.043,469 25.75,470 1.355,471 13,472 0.684,473 12.75,474 0.671,475 14.123,476 0.743,477 21.4,478 0.713,479 17.032,480 0.896,481 4.807,482 0.253,483 3.963,484 0.209,485 0.272,486 0.091,487 0.326,493 0.663,494 1.394,495 0.798,496 1.166,497 0.67,498 0.923,499 0.637,500 1.185,501 0.842,502 1.124,503 0.561,504 0.75,505 1.451,506 0.826,507 1.052,508 0.729,509 1.486,510 0.843,511 0.933,512 1.262,513 1.271,514 1.333,515 0.625,516 1.099,517 1.058,518 1.011,519 1.064,520 0.951,521 0.819,522 1.174,523 0.685,524 0.974,525 0.732,526 0.996,527 0.682,528 0.984,529 0.999,530 1.402,531 1.479,532 1.584,533 1.187,534 1.464,535 1.284,536 0.698,537 0.901,538 0.64,539 1.37,540 1.037,541 6.5,543 2.444,544 1.722,545 1.195,546 0.74,547 0.449,548 0.279,549 0.137,550 0.12,551 2854,552 12557,553 1.894,554 36.7,556 3,558 1,559 1,560 6,564 1.603,565 1.689,566 2.977,567 -0.042,569 1,573 61.179,574 2.039,575 3.756,576 4.165,577 4.365,578 4.365,579 4.365,580 2.42,581 3.787,582 4.216,583 3.142,584 537.298,585 7.183,586 5264.94,588 1,591 147.207,592 1.799,593 4.109,594 0.325,596 0.081,597 0.069,598 0.048,599 0.039,600 0.026,601 0.017,602 0.017,603 0.024,604 0.647,605 0.5,606 1,607 1.314,608 82.157,609 -0.025,610 -0.207,611 0.149,612 -0.054,613 -0.149,614 0.003,615 0.231,616 -0.117,617 0.184,618 -0.062,619 0.232,620 0.211,621 -0.216,622 0.202,623 -0.17,624 0.193,625 -0.247,626 -0.027,627 -0.078,628 -0.172,629 -0.197,630 -0.207,631 0.021,632 -0.139,633 -0.233,634 0.044,635 -0.207,636 -0.04,637 -0.156,638 -0.272,639 0.077,640 -0.025,641 0.253,642 -0.024,643 0.031,644 0.063,645 0.041,646 -0.417,647 -0.449,648 -0.524,649 0.011,650 -0.52,651 -0.137,652 0.069,653 -0.063,654 0.101,655 -0.181,656 -0.057,657 4.395,658 4.288,659 0.526,660 14.078,661 1.043,662 1.128,663 0.886,664 0.784,665 0.706,666 3.045,667 3.434,668 3.584,669 3.829,670 3.892,671 4.06,672 4.06,673 3.951,674 3.912,675 3.761,676 4.928,677 0.68,678 301.38,679 3.045,680 4.615,681 5.442,682 6.347,683 7.204,684 8.109,685 8.979,686 9.882,687 10.759,688 11.661,689 10,696 1,699 2,704 1,705 2,707 1,708 1,709 5,711 10,731 30,733 13,735 20,737 31,738 10,739 6,746 2,747 2,752 2,761 7,762 3,766 3,769 1,771 3,775 1,777 1,778 1,781 11,782 7,783 1,784 9,785 2,790 3,794 1,795 4,799 1,811 2,826 1,840 2,842 2,844 3,848 19,851 1,855 1,863 1,870 13.3,873 3,875 1,877 11.25,878 6.483,879 3.972,880 1.522,881 2.124,882 1.344,883 0.958,884 3.741,885 8.306,886 3.367,887 4.052,888 4.486,889 5.073,890 5.359,891 5.829,892 6.105,893 6.338,894 6.586,895 6.598,896 1,897 25,898 7.17,900 3.249,901 8.329,902 12.715,904 10.175,905 2.829,906 53.75,910 117.711,911 89.366,912 51.582,914 78.965,916 37.324,917 52.043,918 196.676,919 51.582,920 24.841,921 18.011,922 6.046,923 119.505,924 25.197,925 6.807,926 137.218,928 117.711,929 103.625,930 78.965,931 37.324,933 117.711,934 78.965,937 51.351,938 18.702,939 39.617,940 31.278,941 117.711,942 130.547,943 89.366,945 6.046,946 117.711,947 49.432,948 33.888,949 18.011,950 112.536,951 117.711,952 130.547,953 89.366,955 0.606,956 0.313,957 0.158,958 0.081,959 15,960 8,961 0.097,962 3,964 1,965 2.994,966 135.33,968 10,969 78.711,970 1,973 1,974 14.156,975 5.021,976 3.195,978 130.547,979 1.328,980 7.86,982 5.192,983 1.193,984 1.664,986 18.011,987 337.624,988 28,991 -3.478,993 33.522,997 -0.227,999 31.302,1000 33.833,1001 0.416,1002 0.765,1003 0.849,1004 0.89,1005 0.89,1006 0.89,1007 4.63,1008 0.641,1009 5.525,1010 2.365,1011 4.111,1012 4.736,1013 3.197,1014 6.402,1015 3.924,1016 5.926,1017 -0.273,1018 7.144,1019 1.614,1020 4.111,1021 5.027,1022 1.593,1023 7.662,1024 3.796,1025 7.312,1026 -0.629,1027 8.873,1028 -0.724,1029 5.844,1030 7.116,1031 5.134,1032 10.635,1033 5.432,1034 8.737,1035 -1,1036 10.666,1037 -1.646,1038 6.567,1039 8.163,1040 3.032,1041 12.648,1042 5.999,1043 10.192,1044 -1,1045 12.499,1046 -2,1047 7.912,1048 9.845,1049 7.226,1050 15.245,1051 7.242,1052 11.668,1053 -1,1054 14.361,1055 -3,1056 8.912,1057 11.181,1058 4.409,1059 17.524,1060 8.082,1061 13.161,1062 -1.176,1063 16.243,1064 -3,1065 10.14,1066 12.743,1067 9.364,1068 20.011,1069 9.196,1070 3.339,1071 -1.339,1072 18.14,1073 -3.414,1074 11.248,1075 14.19,1076 5.75,1077 22.389,1078 10.151,1079 3.043,1080 11.722,1081 20.049,1082 -4.134,1083 12.44,1084 15.719,1085 11.518,1086 24.843,1087 11.221,1088 2.453,1089 10.141,1090 21.966,1091 4.679,1092 13.593,1093 17.211,1094 7.068,1095 27.26,1096 12.228,1097 2.119,1098 7.246,1099 23.89,1100 4.12,1101 14.777,1102 18.733,1103 13.678,1104 29.706,1105 13.283,1106 1.671,1107 5.816,1108 25.82,1109 3.332,1110 15.949,1111 20.245,1112 8.374,1113 32.14,1114 14.315,1115 1.412,1116 4.423,1117 27.754,1118 2.769,1119 17.133,1120 21.769,1121 15.84,1122 34.587,1123 15.368,1124 0.806,1125 4.01,1126 29.691,1127 2.267,1128 18.314,1129 23.291,1130 9.674,1131 37.03,1132 16.413,1133 3021,1134 6473,1135 12.137,1136 21.176,1137 31.489,1138 32.869,1139 32.026,1140 30.973,1141 30.966,1142 42.431,1143 10.012,1144 94.674,1145 28.2,1146 5.555,1147 7.181,1148 6.309,1149 5.341,1150 5.339,1151 7.429,1152 5.9,1153 18.824,1154 4.846,1155 12.814,1156 1.574,1157 1.643,1158 1.601,1159 1.549,1160 1.548,1161 2.122,1162 0.501,1163 4.734,1164 1.41,1165 4.085,1166 4.056,1167 4.738,1168 4.037,1169 7.716,1170 3.947,1171 3.858,1172 3.854,1173 4.25,1174 3.852,1175 7.43,1176 3.749,1177 3.563,1178 3.59,1179 3.583,1180 3.34,1181 6.999,1182 3.357,1183 3.429,1184 3.463,1185 3.407,1186 3.226,1187 5.12,1188 3.231,1189 3.017,1190 3.11,1191 2.996,1192 2.892,1193 4.762,1194 2.813,1195 2.693,1196 2.782,1197 2.492,1198 2.43,1199 3.949,1200 2.4,1201 2.608,1202 2.702,1203 2.388,1204 2.305,1205 3.808,1206 2.285,1207 2.267,1208 2.298,1209 2.174,1210 1.939,1211 3.671,1212 1.988,1213 0.241,1214 0.259,1215 0.356,1216 0.21,1217 0.167,1218 4.816,1219 0.234,1220 5.181,1221 0.148,1222 7.122,1223 0.586,1224 4.207,1225 0.146,1226 3.339,1227 4.679,1228 2.95,1229 11.722,1230 2.929,1231 1.754,1232 1.813,1233 1.759,1234 1.868,1235 1.011,1236 1.937,1237 1.615,1238 1.603,1239 1.721,1240 1.792,1241 0.895,1242 1.774,1243 1.525,1244 1.478,1245 1.622,1246 1.725,1247 0.739,1248 1.739,1249 1.273,1250 1.219,1251 1.442,1252 1.476,1253 0.552,1254 1.485,1255 1.059,1256 1.013,1257 1.174,1258 1.282,1259 0.28,1260 1.295,1261 0.912,1262 0.851,1263 1.096,1264 1.238,1265 0.148,1266 1.234,1267 0.568,1268 0.498,1269 0.689,1270 0.837,1272 0.854,1273 0.379,1274 0.33,1275 0.452,1276 0.771,1278 0.737,1279 3.714,1281 5.081,1282 3.045,1283 6.594,1284 5.352,1285 8.178,1286 7.413,1287 9.803,1289 4.136,1296 2.561,1305 20.405,1306 61.179,1307 112.677,1308 124.942,1309 130.942,1310 130.942,1311 130.942,1312 40.533,1313 6.182,1314 102.16,1315 138.78,1316 10,1317 12.186,1318 3.807,1319 3.17,1320 33.682,1321 55,1322 52,1323 0.313,1324 135.9,1325 227.02,1326 323.355,1327 2951,1329 14.207,1330 0.748,1331 0.634,1332 14.81,1333 12.054,1334 8.77,1335 0.438,1336 0.395,1337 5.305,1338 7.111,1339 4.827,1340 4.046,1341 10.072,1342 7.892,1343 9.244,1344 0.308,1345 0.226,1346 11.274,1347 6.77,1348 6.15,1349 0.176,1350 0.115,1351 7.73,1352 4.016,1353 5.122,1354 0.114,1355 0.062,1356 6.587,1357 2.808,1358 3.385,1359 0.071,1360 0.035,1361 4.586,1362 1.676,1363 0.478,1364 69.31,1365 0.287,1366 18.843,1367 0.893,1368 100,1369 412.286,1370 177.777,1371 427.168,1372 561.71,1373 390,1374 115,1375 365.912,1376 193.576,1377 412.454,1378 596.34,1379 381,1380 6.71}
{0 CHEMBL2204779,1 1.867,2 10.92,3 1.925,4 3.705,5 90.676,6 9.19,7 0.593,8 3.804,9 3.893,10 3.571,11 3.347,12 5.09,13 3.35,14 4.257,15 4.381,16 3.993,17 3.687,18 5.666,19 3.675,20 4.381,21 4.522,22 3.915,23 3.71,24 5.67,25 3.683,26 4.419,27 4.565,28 3.954,29 3.711,30 5.72,31 3.665,32 4.364,33 4.526,34 3.762,35 3.563,36 5.68,37 3.562,38 4.287,39 4.473,40 3.554,41 3.477,42 5.487,43 3.438,44 4.169,45 4.326,46 3.58,47 3.417,48 5.621,49 3.37,50 4.134,51 4.33,52 3.465,53 3.368,54 5.373,55 3.297,56 0.172,57 0.602,58 5.668,59 3.378,60 14.064,61 3.252,62 0.451,63 0.925,64 12.173,65 5.423,66 44.947,67 6.012,68 0.507,69 0.992,70 15.714,71 6.111,72 49.129,73 5.53,74 0.5,75 1.016,76 20.744,77 7.405,78 49.778,79 7.352,80 0.627,81 0.944,82 17.831,83 5.543,84 46.358,85 5.445,86 0.485,87 0.84,88 15.208,89 5.663,90 49.994,91 6.142,92 0.667,93 0.731,94 12.294,95 4.947,96 61.987,97 5.347,98 0.433,99 0.708,100 16.371,101 5.612,102 41.8,103 6.116,104 31,105 38,106 0.329,107 0.728,108 0.816,109 0.889,110 0.889,111 0.889,112 3.266,113 0.895,114 -3.23,115 -3.22,116 -3.09,119 41,120 2,142 4,143 1,144 1,145 1,146 1,152 2,158 2,162 2,167 1,170 1,172 4,173 1,174 1,175 4,178 5,180 5,183 4,184 2,187 3,192 4,195 3,196 1,198 2,199 9,204 3,205 1,207 1,208 1,211 1,212 6,215 2,216 1,217 2,224 3,225 2,227 2,229 1,232 1,236 3,237 1,240 2,241 1,245 2,249 1,250 3,258 4,263 2,266 1,268 3,271 3,272 1,275 874,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.142,282 21.029,283 9.626,284 16.782,285 13.356,286 13.356,287 13.356,288 13.356,289 13.356,290 9.918,291 32.298,292 4.615,293 14.04,294 3.418,295 1.157,296 0.654,297 0.244,298 0.244,299 0.244,300 3.942,303 1,304 1,305 1,306 573,307 3.391,310 144.774,311 88.942,318 1.776,319 32.544,321 1,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 56,331 273,332 4.463,333 3.579,334 6.513,335 4.026,336 3.095,337 4.171,338 1.907,339 10.228,340 2.892,341 4.207,342 3.537,343 5.983,344 3.821,345 2.836,346 3.806,347 1.437,348 8.531,349 2.794,350 3.993,351 3.141,352 5.621,353 3.554,354 2.617,355 3.561,356 0.4,357 7.718,358 2.436,359 3.659,360 2.832,361 5.372,362 3.32,363 2.355,364 2.945,365 0.149,366 6.947,367 2.267,368 3.541,369 2.473,370 5.079,371 3.137,372 2.151,373 2.797,375 6.036,376 2.107,377 3.205,378 2.158,379 4.727,380 2.766,381 1.805,382 2.399,384 4.972,385 1.711,386 2.944,387 1.909,388 4.33,389 2.512,390 1.574,391 2.07,393 4.152,394 1.449,395 2.792,396 1.67,397 3.864,398 2.308,399 1.321,400 1.881,402 3.031,403 1.293,404 2.53,405 1.178,406 3.743,407 2.005,408 1,409 1.475,411 2.576,412 0.994,413 2.369,414 0.991,415 3.436,416 1.809,417 0.922,418 1.312,420 2.323,421 0.804,422 2.139,423 0.673,424 3.273,425 1.555,426 0.643,427 0.96,428 1.634,429 0.579,430 1.182,431 0.563,432 2.838,433 0.842,434 -0.108,435 -0.134,436 -0.302,437 -0.102,438 1.026,439 0.436,440 2.531,441 0.67,442 -0.274,443 -0.318,445 -0.726,446 -0.255,447 0.739,448 0.042,449 2.38,450 0.302,451 -0.628,452 -0.758,454 -1.625,455 -0.566,456 0.628,457 -0.011,458 2,459 0.254,460 -0.742,461 -0.965,463 -1.905,464 -0.724,465 11.767,466 0.471,467 0.753,468 0.03,469 34.75,470 1.39,471 18,472 0.72,473 16.75,474 0.67,475 18.185,476 0.727,477 26.633,478 0.683,479 24.841,480 0.994,481 6.994,482 0.28,483 4.925,484 0.197,485 0.17,487 0.382,493 0.876,494 1.23,495 0.698,496 0.897,497 0.718,498 0.81,499 0.489,500 1.058,501 0.652,502 0.949,503 0.422,504 0.826,505 1.279,506 1.102,507 1.136,508 1.014,509 1.121,510 0.988,511 0.947,512 1.345,513 1.281,514 1.427,515 0.85,516 1.134,517 1.241,518 1.005,519 1.21,520 1.003,521 0.888,522 0.963,523 1.101,524 0.961,525 0.977,526 0.946,527 0.926,528 1.051,529 0.755,530 0.726,531 0.895,532 0.785,533 0.88,534 0.998,535 0.986,536 0.889,537 1.064,538 0.947,539 0.819,540 0.875,541 6.5,542 0.153,543 2.222,544 2.167,545 1.162,546 0.865,547 0.492,548 0.266,549 0.291,550 0.135,551 7219,552 26668,553 2.015,554 35.9,556 4,558 1,559 3,560 6,564 1.677,565 1.852,566 3.432,567 1.084,568 1,569 1,571 1,573 72.828,574 1.867,575 4.128,576 4.631,577 5.042,578 5.042,579 5.042,580 2.889,581 3.974,582 4.614,583 3.609,584 1082.77,585 7.963,586 13432.8,587 1,588 1,590 1,591 206.131,592 1.516,593 4.555,594 0.241,595 0.01,596 0.058,597 0.064,598 0.034,599 0.028,600 0.02,601 0.011,602 0.013,603 0.008,604 0.486,605 0.33,606 1,607 1.127,608 122.105,609 -0.154,610 -0.114,611 0.021,612 0.041,613 -0.133,614 0.041,615 0.31,616 0.023,617 0.243,618 0.045,619 0.229,620 0.089,621 -0.311,622 -0.034,623 -0.158,624 -0.011,625 -0.218,626 -0.087,627 -0.021,628 -0.313,629 -0.071,630 -0.256,631 -0.012,632 -0.139,633 -0.165,634 0.048,635 -0.239,636 -0.066,637 -0.096,638 -0.073,639 -0.157,640 -0.006,641 -0.104,642 -0.059,643 -0.115,644 -0.083,645 0.313,646 0.239,647 -0.024,648 0.12,649 0.134,650 -0.064,651 -0.066,652 0.045,653 0.061,654 0.125,655 0.029,656 0.19,657 2.678,658 4.121,659 0.64,660 23.715,661 1.031,662 1.124,663 2.003,664 4.014,665 0.7,666 3.332,667 3.664,668 3.871,669 4.143,670 4.248,671 4.344,672 4.466,673 4.443,674 4.554,675 4.615,676 6.56,677 0.686,678 358.41,679 3.332,680 4.875,681 5.707,682 6.586,683 7.439,684 8.321,685 9.183,686 10.066,687 10.934,688 11.817,689 10.3,696 1,697 1,699 2,704 5,705 2,707 1,708 1,709 7,711 16,720 1,724 1,731 39,733 18,734 1,735 27,737 41,738 16,739 12,740 2,741 4,742 1,746 3,747 3,752 2,761 14,762 2,766 2,771 2,775 2,777 1,778 1,781 14,782 8,783 3,784 9,785 1,790 4,794 1,795 4,799 1,811 2,812 1,826 1,838 1,840 3,842 1,844 2,848 25,853 1,855 2,863 1,870 10.3,872 1,873 2,875 1,877 13.5,878 7.683,879 5.417,880 2.093,881 3.127,882 1.44,883 0.96,884 5.039,885 10.238,886 3.638,887 4.248,888 4.771,889 5.369,890 5.721,891 6.031,892 6.441,893 6.683,894 7.056,895 7.358,896 1,897 34,898 9.174,900 3.892,901 8.113,902 16.778,904 13.218,905 2.613,906 65.333,910 129.482,911 122.093,912 69.593,914 102.481,916 31.278,917 90.816,918 231.963,919 69.593,920 17.65,921 18.011,922 37.905,923 143.93,924 50.356,925 6.807,926 148.989,928 129.482,929 160.408,930 102.481,931 31.278,933 129.482,934 102.481,937 70.568,938 56.269,939 33.571,940 31.278,941 129.482,942 172.073,943 122.093,946 129.482,947 57.49,948 64.603,949 36.022,950 136.052,951 129.482,952 172.073,953 122.093,955 0.586,956 0.32,957 0.174,958 0.09,959 18,960 9,961 0.122,962 5,964 1,965 3.71,966 199.11,968 16,969 116.096,970 1,974 17.421,975 7.231,976 4.17,978 172.073,979 7.866,980 8.405,982 5.661,983 1.285,984 3.395,986 78.705,987 423.648,988 37,993 22.13,997 -1.207,999 40.211,1000 43.827,1001 0.353,1002 0.781,1003 0.876,1004 0.954,1005 0.954,1006 0.954,1007 4.868,1008 1.321,1009 5.707,1010 4.152,1011 4.344,1012 4.934,1013 2.442,1014 6.497,1015 4.247,1016 6.094,1017 1,1018 7.255,1019 3.031,1020 4.007,1021 4.783,1022 1.593,1023 7.326,1024 3.882,1025 7.403,1026 0.922,1027 8.895,1028 2.576,1029 5.922,1030 7.11,1031 3.289,1032 10.391,1033 5.73,1034 8.744,1035 0.643,1036 10.588,1037 2.323,1038 6.347,1039 7.743,1040 3.032,1041 12.027,1042 6.113,1043 10.111,1044 -0.108,1045 12.314,1046 1.634,1047 7.77,1048 9.554,1049 4.308,1050 14.602,1051 7.482,1052 11.498,1053 -0.274,1054 14.064,1055 -0.302,1056 8.545,1057 10.562,1058 4.409,1059 16.598,1060 8.202,1061 12.901,1062 -0.628,1063 15.832,1064 -0.726,1065 9.771,1066 12.151,1067 5.425,1068 18.998,1069 9.379,1070 3.095,1071 -0.742,1072 17.615,1073 -1.625,1074 10.713,1075 13.349,1076 5.75,1077 21.161,1078 10.261,1079 2.836,1080 10.228,1081 19.409,1082 -1.905,1083 11.859,1084 14.836,1085 6.608,1086 23.499,1087 11.358,1088 2.617,1089 8.531,1090 21.213,1091 4.171,1092 12.884,1093 16.132,1094 7.068,1095 25.741,1096 12.32,1097 2.355,1098 7.718,1099 23.025,1100 3.806,1101 14,1102 17.573,1103 7.834,1104 28.059,1105 13.383,1106 2.151,1107 6.947,1108 24.844,1109 3.561,1110 15.065,1111 18.921,1112 8.374,1113 30.34,1114 14.385,1115 1.805,1116 6.036,1117 26.669,1118 2.945,1119 16.172,1120 20.342,1121 9.088,1122 32.654,1123 15.435,1124 1.574,1125 4.972,1126 28.499,1127 2.797,1128 17.259,1129 21.718,1130 9.674,1131 34.954,1132 16.459,1133 7145,1134 13868,1135 17.512,1136 27.296,1137 41.535,1138 41.975,1139 42.006,1140 40.602,1141 40.636,1142 54.753,1143 7.785,1144 116.293,1145 38.654,1146 5.238,1147 5.579,1148 6.061,1149 5.159,1150 5.095,1151 7.171,1152 3.344,1153 17.069,1154 4.892,1155 14.697,1156 1.538,1157 1.555,1158 1.556,1159 1.504,1160 1.505,1161 2.028,1162 0.288,1163 4.307,1164 1.432,1165 4.009,1166 4.028,1167 4.264,1168 3.924,1169 7.475,1170 3.901,1171 3.897,1172 3.916,1173 3.898,1174 3.842,1175 7.43,1176 3.823,1177 3.686,1178 3.72,1179 3.707,1180 3.458,1181 6.351,1182 3.494,1183 3.489,1184 3.535,1185 3.422,1186 3.271,1187 5.177,1188 3.289,1189 3.286,1190 3.278,1191 3.242,1192 3.03,1193 4.779,1194 3.075,1195 3.022,1196 3.114,1197 2.996,1198 2.893,1199 4.686,1200 2.82,1201 2.962,1202 3.038,1203 2.847,1204 2.797,1205 3.955,1206 2.793,1207 2.651,1208 2.739,1209 2.514,1210 2.402,1211 3.869,1212 2.418,1213 0.165,1214 0.133,1215 0.241,1216 0.149,1217 0.115,1218 4.463,1219 0.154,1220 3.579,1221 0.071,1222 6.513,1223 0.379,1224 4.026,1225 0.107,1226 3.095,1227 4.171,1228 1.907,1229 10.228,1230 2.892,1231 1.903,1232 1.88,1233 2.001,1234 2.005,1235 1.086,1236 2.003,1237 1.617,1238 1.607,1239 1.759,1240 1.793,1241 0.896,1242 1.774,1243 1.525,1244 1.478,1245 1.721,1246 1.733,1247 0.739,1248 1.741,1249 1.291,1250 1.239,1251 1.448,1252 1.591,1253 0.552,1254 1.526,1255 1.257,1256 1.218,1257 1.354,1258 1.476,1259 0.335,1260 1.483,1261 1.091,1262 1.078,1263 1.239,1264 1.394,1265 0.267,1266 1.331,1267 1.027,1268 0.991,1269 1.173,1270 1.249,1271 0.227,1272 1.278,1273 0.804,1274 0.753,1275 1.012,1276 1.025,1277 0.016,1278 1.035,1279 4.007,1281 5.333,1282 3.045,1283 6.817,1284 5.352,1285 8.376,1286 7.391,1287 9.98,1289 3.223,1294 9.021,1296 5.556,1305 26.766,1306 72.828,1307 161.011,1308 180.621,1309 196.621,1310 196.621,1311 196.621,1312 45.415,1313 7.111,1314 117.35,1315 145.59,1316 16,1317 12.354,1318 4.248,1319 3.459,1320 41.953,1321 100,1322 87,1323 0.211,1324 170.014,1325 289.49,1326 406.595,1327 11260,1329 17.974,1330 0.719,1331 0.567,1332 18.328,1333 14.178,1334 11.919,1335 0.441,1336 0.298,1337 7.174,1338 10.899,1339 6.897,1340 5.749,1341 12.327,1342 8.054,1343 11.32,1344 0.298,1345 0.162,1346 11.962,1347 6.154,1348 8.466,1349 0.18,1350 0.091,1351 9.304,1352 4.257,1353 7.27,1354 0.117,1355 0.05,1356 8.225,1357 3.078,1358 5.213,1359 0.076,1360 0.026,1361 5.933,1362 1.773,1363 0.334,1364 79.822,1365 0.239,1366 24.501,1367 0.566,1368 130,1369 480.173,1370 175.8,1371 476.798,1372 638.69,1373 442,1374 150,1375 451.107,1376 190.736,1377 466.771,1378 680.43,1379 437,1380 6.484}
{0 CHEMBL2204785,1 1.902,2 10,3 1.738,4 3.021,5 85.959,6 9.778,7 0.667,8 3.664,9 3.749,10 3.556,11 3.31,12 4.887,13 3.26,14 4.12,15 4.249,16 4.001,17 3.632,18 5.367,19 3.573,20 4.163,21 4.293,22 3.891,23 3.645,24 5.346,25 3.537,26 4.13,27 4.259,28 3.851,29 3.586,30 5.339,31 3.48,32 4.099,33 4.24,34 3.727,35 3.475,36 5.346,37 3.408,38 4.041,39 4.223,40 3.524,41 3.391,42 5.156,43 3.295,44 3.919,45 4.066,46 3.373,47 3.301,48 5.165,49 3.186,50 3.896,51 4.089,52 3.313,53 3.225,54 5.039,55 3.097,56 0.084,57 0.537,58 4.254,59 3.054,60 5.161,61 2.931,62 0.29,63 0.861,64 11.929,65 5.168,66 18.472,67 5.071,68 0.338,69 0.877,70 15.623,71 6.179,72 32.445,73 4.787,74 0.274,75 0.844,76 18.438,77 6.814,78 18.813,79 6.11,80 0.43,81 0.814,82 16.815,83 5.502,84 25.638,85 3.95,86 0.251,87 0.726,88 10.691,89 4.837,90 18.797,91 5.118,92 0.322,93 0.623,94 12.432,95 4.902,96 32.548,97 4.533,98 0.276,99 0.613,100 14.864,101 5.22,102 25.965,103 5.298,104 12,105 33,106 0.346,107 0.709,108 0.807,109 0.875,110 0.875,111 0.875,112 3.146,113 1.005,114 -3.09,115 -3.09,116 -2.97,119 41.2,120 2,142 2,144 1,145 3,146 1,152 2,158 1,162 2,172 1,174 1,175 6,178 2,180 2,183 1,187 3,195 2,198 2,199 6,204 1,207 1,211 3,212 3,215 1,220 1,224 2,227 1,232 2,236 1,237 1,242 1,245 1,249 1,250 3,258 2,262 1,263 3,268 1,271 2,275 654,276 14.74,277 14.74,278 14.74,279 14.74,280 14.74,281 12.604,282 12.758,283 8.864,284 15.321,285 11.905,286 11.905,287 11.905,288 11.905,289 11.905,290 8.744,291 15.52,292 4.295,293 12.93,294 3.186,295 1.195,296 0.655,297 0.28,298 0.28,299 0.28,300 3.824,303 1,304 1,305 1,306 468,307 2.828,310 124.538,311 76.695,318 1.636,319 20.264,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48,331 220,332 4.463,333 4.555,334 6.513,335 4.021,336 3.095,337 4.171,338 2.95,339 10.228,340 2.873,341 4.053,342 3.537,343 5.652,344 3.581,345 2.694,346 3.624,347 1.907,348 7.886,349 2.392,350 3.834,351 3.193,352 5.405,353 3.387,354 2.449,355 3.386,356 0.149,357 7.107,358 2.284,359 3.59,360 3.028,361 5.115,362 3.198,363 2.228,364 2.824,366 6.2,367 2.148,368 3.226,369 2.322,370 4.738,371 2.774,372 1.836,373 2.427,375 5.01,376 1.681,377 2.966,378 1.981,379 4.33,380 2.516,381 1.589,382 2.114,384 4.155,385 1.443,386 2.828,387 1.726,388 3.859,389 2.328,390 1.397,391 1.957,393 3.065,394 1.29,395 2.5,396 1.166,397 3.57,398 1.956,399 1,400 1.5,402 2.559,403 0.953,404 2.369,405 1,406 3.271,407 1.796,408 0.921,409 1.312,411 2.136,412 0.791,413 2.139,414 0.686,415 3.247,416 1.555,417 0.643,418 0.96,420 1.633,421 0.579,422 1.179,423 0.573,424 2.762,425 0.747,426 -0.108,427 -0.134,428 -0.286,429 -0.09,430 1.026,431 0.548,432 2.529,433 0.67,434 -0.274,435 -0.318,436 -0.726,437 -0.254,438 0.633,439 0.155,440 2.363,441 0.279,442 -0.632,443 -0.76,445 -1.63,446 -0.563,447 0.5,448 -0.01,449 1.702,450 0.096,451 -0.922,452 -1.201,454 -2,455 -0.809,456 0.465,457 -0.372,458 1.611,459 -0.008,460 -1,461 -1.332,463 -2.224,464 -0.974,465 10.933,466 0.497,467 0.558,468 0.025,469 31.25,470 1.42,471 16.5,472 0.75,473 14.75,474 0.67,475 16.005,476 0.727,477 22.667,478 0.667,479 19.03,480 0.865,481 6.038,482 0.274,483 4.576,484 0.208,485 0.122,487 0.32,493 0.825,494 1.192,495 0.685,496 0.838,497 0.631,498 0.803,499 0.683,500 1.054,501 0.711,502 0.927,503 0.585,504 0.745,505 1.45,506 1.022,507 1.312,508 1.102,509 1.562,510 0.961,511 0.804,512 1.321,513 1.374,514 1.484,515 0.534,516 1.123,517 1.548,518 0.819,519 1.155,520 0.877,521 0.992,522 0.916,523 1.004,524 0.947,525 0.762,526 0.844,527 0.774,528 1.01,529 1.151,530 1.007,531 1.218,532 1.132,533 1.528,534 1.164,535 0.971,536 0.994,537 1.075,538 1.026,539 0.969,540 0.962,541 5,542 0.07,543 1.556,544 1.729,545 0.891,546 0.629,547 0.384,548 0.203,549 0.203,550 0.079,551 5188,552 17770,553 2.07,554 35.3,556 2,558 3,559 1,560 6,564 1.642,565 1.941,566 3.304,567 -0.175,569 1,571 1,573 64.651,574 1.902,575 3.892,576 4.433,577 4.808,578 4.808,579 4.808,580 2.799,581 4.005,582 4.427,583 3.46,584 799.146,585 7.591,586 8911.57,587 1,588 1,590 1,591 172.974,592 1.395,593 4.392,594 0.208,595 0.008,596 0.047,597 0.062,598 0.032,599 0.024,600 0.018,601 0.011,602 0.012,603 0.006,604 0.429,605 0.33,606 1,607 1,608 102.256,609 -0.098,610 -0.161,611 0.048,612 0.016,613 -0.087,614 0.005,615 0.233,616 -0.01,617 0.254,618 0.055,619 0.128,620 0.152,621 -0.34,622 0.044,623 -0.153,624 0.024,625 -0.361,626 -0.041,627 0.146,628 -0.291,629 -0.117,630 -0.283,631 0.193,632 -0.133,633 -0.219,634 0.263,635 -0.208,636 0.066,637 -0.148,638 -0.086,639 -0.076,640 -0.022,641 0.05,642 0.009,643 -0.01,644 -0.052,645 -0.034,646 -0.084,647 -0.225,648 -0.122,649 -0.107,650 -0.194,651 0.01,652 -0.092,653 0.009,654 0.028,655 0.07,656 0.108,657 1.814,658 4.088,659 0.727,660 19.975,661 1.022,662 1.115,663 1.863,664 3.471,665 0.743,666 3.219,667 3.526,668 3.738,669 4.025,670 4.111,671 4.19,672 4.304,673 4.304,674 4.357,675 4.369,676 5.918,677 0.706,678 332.44,679 3.219,680 4.745,681 5.572,682 6.444,683 7.292,684 8.171,685 9.03,686 9.912,687 10.778,688 11.661,689 11.8,696 1,699 3,704 5,705 3,707 1,708 1,709 6,711 16,731 34,733 17,735 24,737 36,738 14,739 11,746 3,747 3,752 2,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 12,782 6,783 1,784 8,785 2,790 4,794 1,795 2,799 1,805 1,811 2,812 1,826 1,840 3,841 1,842 2,844 2,848 22,855 1,857 1,863 1,870 5.9,873 1,875 1,877 11.333,878 6.933,879 4.806,880 1.864,881 2.947,882 1.433,883 0.987,884 4.549,885 9.748,886 3.526,887 4.127,888 4.649,889 5.259,890 5.583,891 5.864,892 6.275,893 6.576,894 6.893,895 7.143,896 0.857,897 28,898 8.057,900 3.343,901 7.833,902 15.126,904 11.894,905 2.333,906 51.333,910 129.482,911 146.948,912 68.367,914 34.652,916 63.497,917 83.45,918 164.134,919 68.367,920 17.65,921 18.011,922 18.952,923 115.519,924 44.843,925 6.807,926 157.666,928 129.482,929 151.818,930 34.652,931 63.497,933 129.482,934 34.652,937 69.446,938 32.015,939 50.357,940 63.497,941 129.482,942 103.02,943 146.948,946 129.482,947 83.202,948 63.745,949 18.011,950 85.009,951 129.482,952 103.02,953 146.948,955 0.576,956 0.313,957 0.177,958 0.09,959 16,960 7,961 0.111,962 4,964 1,965 3.516,966 166.408,968 16,969 98.107,970 2,974 15.192,975 6.588,976 3.745,978 103.02,979 8.932,980 12.614,982 5.755,983 1.362,984 4.334,986 18.011,987 379.449,988 33,993 11.088,997 -0.148,999 34.749,1000 37.913,1001 0.374,1002 0.765,1003 0.871,1004 0.945,1005 0.945,1006 0.945,1007 4.736,1008 1,1009 5.549,1010 3.065,1011 4.205,1012 4.812,1013 3.197,1014 6.319,1015 4.043,1016 5.945,1017 0.921,1018 7.076,1019 2.559,1020 3.761,1021 4.543,1022 1.593,1023 7.096,1024 3.54,1025 7.241,1026 0.643,1027 8.698,1028 2.136,1029 5.753,1030 6.972,1031 5.134,1032 10.188,1033 5.429,1034 8.57,1035 -0.108,1036 10.376,1037 1.633,1038 6.111,1039 7.528,1040 3.032,1041 11.823,1042 5.715,1043 9.928,1044 -0.274,1045 12.092,1046 -0.286,1047 7.579,1048 9.4,1049 7.226,1050 14.414,1051 7.098,1052 11.307,1053 -0.632,1054 13.836,1055 -0.726,1056 8.319,1057 10.362,1058 4.409,1059 16.426,1060 7.756,1061 12.704,1062 -0.922,1063 15.601,1064 -1.63,1065 9.571,1066 11.986,1067 9.364,1068 18.841,1069 8.933,1070 3.095,1071 -1,1072 17.383,1073 -2,1074 10.5,1075 13.161,1076 5.75,1077 21.025,1078 9.779,1079 2.694,1080 10.228,1081 19.18,1082 -2.224,1083 11.661,1084 14.669,1085 11.518,1086 23.378,1087 10.87,1088 2.449,1089 7.886,1090 20.988,1091 4.171,1092 12.684,1093 15.956,1094 7.068,1095 25.637,1096 11.812,1097 2.228,1098 7.107,1099 22.805,1100 3.624,1101 13.811,1102 17.41,1103 13.678,1104 27.969,1105 12.87,1106 1.836,1107 6.2,1108 24.632,1109 3.386,1110 14.881,1111 18.757,1112 8.374,1113 30.263,1114 13.863,1115 1.589,1116 5.01,1117 26.465,1118 2.824,1119 15.998,1120 20.188,1121 15.84,1122 32.588,1123 14.91,1124 1.397,1125 4.155,1126 28.304,1127 2.427,1128 17.091,1129 21.568,1130 9.674,1131 34.898,1132 15.929,1133 5077,1134 9552,1135 16.008,1136 25.273,1137 36.434,1138 38.166,1139 36.426,1140 35.724,1141 35.706,1142 48.548,1143 10.012,1144 99.955,1145 32.869,1146 5.225,1147 6.555,1148 6.315,1149 5.163,1150 5.095,1151 7.171,1152 5.9,1153 17.069,1154 4.81,1155 10.282,1156 1.518,1157 1.59,1158 1.518,1159 1.488,1160 1.488,1161 2.023,1162 0.417,1163 4.165,1164 1.37,1165 3.984,1166 3.993,1167 4.273,1168 3.925,1169 7.43,1170 3.882,1171 3.832,1172 3.868,1173 4.034,1174 3.775,1175 5.151,1176 3.745,1177 3.668,1178 3.699,1179 3.677,1180 3.464,1181 4.88,1182 3.483,1183 3.483,1184 3.528,1185 3.426,1186 3.273,1187 4.766,1188 3.287,1189 3.019,1190 3.111,1191 3.166,1192 2.901,1193 3.95,1194 2.821,1195 2.88,1196 2.919,1197 2.995,1198 2.872,1199 3.827,1200 2.794,1201 2.743,1202 2.826,1203 2.623,1204 2.542,1205 3.808,1206 2.541,1207 2.628,1208 2.729,1209 2.495,1210 2.383,1211 3.67,1212 2.376,1213 0.186,1214 0.19,1215 0.271,1216 0.168,1217 0.129,1218 4.463,1219 0.174,1220 4.555,1221 0.123,1222 6.513,1223 0.426,1224 4.021,1225 0.12,1226 3.095,1227 4.171,1228 2.95,1229 10.228,1230 2.873,1231 1.808,1232 1.779,1233 1.899,1234 1.921,1235 0.948,1236 1.928,1237 1.617,1238 1.607,1239 1.759,1240 1.792,1241 0.896,1242 1.774,1243 1.525,1244 1.478,1245 1.721,1246 1.73,1247 0.739,1248 1.74,1249 1.276,1250 1.219,1251 1.443,1252 1.476,1253 0.552,1254 1.486,1255 1.18,1256 1.172,1257 1.175,1258 1.417,1259 0.296,1260 1.373,1261 1.021,1262 0.991,1263 1.133,1264 1.246,1265 0.253,1266 1.271,1267 0.811,1268 0.756,1269 1.043,1270 1.004,1271 0.028,1272 1.036,1273 0.672,1274 0.591,1275 0.94,1276 0.907,1278 0.932,1279 3.892,1281 5.198,1282 3.045,1283 6.668,1284 5.352,1285 8.214,1286 7.391,1287 9.804,1289 3.321,1296 2.675,1298 1.401,1305 23.997,1306 64.651,1307 132.345,1308 150.709,1309 163.464,1310 163.464,1311 163.464,1312 29.611,1313 6.8,1314 80.91,1315 134.45,1316 16,1317 12.198,1318 4.17,1319 3.322,1320 34.608,1321 77,1322 72,1323 0.222,1324 156.895,1325 258.46,1326 374.585,1327 7499,1329 15.527,1330 0.706,1331 0.613,1332 16.234,1333 13.494,1334 10.614,1335 0.442,1336 0.335,1337 6.443,1338 9.279,1339 6.084,1340 5.083,1341 11.431,1342 8.04,1343 9.787,1344 0.297,1345 0.195,1346 11.124,1347 6.42,1348 7.425,1349 0.181,1350 0.111,1351 8.985,1352 4.555,1353 6.541,1354 0.119,1355 0.062,1356 8.266,1357 3.405,1358 4.597,1359 0.077,1360 0.035,1361 6.112,1362 2.072,1363 0.349,1364 75.015,1365 0.25,1366 21.942,1367 0.603,1368 114,1369 396.46,1370 181.828,1371 421.049,1372 573.68,1373 394,1374 131,1375 393.043,1376 188.236,1377 426.339,1378 622.25,1379 399,1380 6.951}
{0 CHEMBL2204786,1 1.822,2 9.238,3 1.003,4 1.006,5 78.415,6 9.102,7 0.696,8 3.634,9 3.729,10 3.424,11 3.222,12 4.862,13 3.206,14 4.098,15 4.24,16 3.832,17 3.55,18 5.345,19 3.525,20 4.164,21 4.307,22 3.743,23 3.542,24 5.377,25 3.497,26 4.173,27 4.32,28 3.782,29 3.536,30 5.411,31 3.47,32 4.076,33 4.231,34 3.492,35 3.402,36 5.274,37 3.36,38 4.008,39 4.215,40 3.317,41 3.322,42 5.07,43 3.228,44 3.892,45 4.037,46 3.319,47 3.252,48 5.168,49 3.162,50 3.938,51 4.163,52 3.104,53 3.102,54 5.099,55 3.006,56 0.077,57 0.521,58 4.791,59 2.844,60 5.188,61 2.928,62 0.268,63 0.813,64 11.192,65 4.556,66 18.949,67 5.054,68 0.325,69 0.825,70 13.36,71 5.102,72 33.194,73 4.574,74 0.379,75 0.843,76 17.584,77 6.012,78 26.173,79 5.853,80 0.333,81 0.76,82 12.973,83 4.565,84 21.074,85 4.312,86 0.246,87 0.67,88 11.387,89 4.616,90 20.757,91 5.382,92 0.27,93 0.604,94 11,95 4.388,96 29.269,97 4.559,98 0.301,99 0.606,100 12.591,101 4.396,102 29.531,103 5.153,104 12,105 32,106 0.334,107 0.698,108 0.8,109 0.871,110 0.871,111 0.871,112 3.103,113 0.922,114 -3.09,115 -3.09,116 -2.97,119 42.4,120 2,142 2,143 1,145 3,146 1,152 2,158 1,161 1,162 1,172 2,174 1,175 7,178 2,180 2,183 1,187 4,195 1,198 4,199 6,204 1,207 1,211 1,212 1,215 1,220 1,224 2,227 1,232 3,236 1,237 3,242 1,245 2,249 2,250 3,255 1,258 1,263 1,266 1,268 1,271 1,275 558,276 14.085,277 14.085,278 14.085,279 14.085,280 14.085,281 12.012,282 9.265,283 8.408,284 14.468,285 11.393,286 11.393,287 11.393,288 11.393,289 11.393,290 8.311,291 13.147,292 4.041,293 12.053,294 3.222,295 1.231,296 0.675,297 0.288,298 0.288,299 0.288,300 3.78,304 1,305 1,306 413,307 2.646,310 115.268,311 69.63,318 1.51,319 20.198,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 46,331 194,332 4.48,333 3.537,334 6.526,335 4.052,336 3.111,337 4.195,338 1.907,339 10.279,340 2.948,341 4.196,342 3.144,343 6.131,344 3.776,345 2.823,346 3.823,347 0.149,348 9.021,349 2.678,350 3.75,351 2.837,352 5.432,353 3.368,354 2.411,355 3.214,357 7.137,358 2.3,359 3.521,360 2.33,361 4.974,362 3.085,363 2.098,364 2.783,366 5.64,367 2.054,368 3.176,369 2.028,370 4.415,371 2.694,372 1.742,373 2.401,375 4.384,376 1.643,377 2.965,378 1.702,379 4.314,380 2.515,381 1.576,382 2.112,384 4.047,385 1.455,386 2.628,387 1.217,388 3.834,389 2.11,390 1.182,391 1.683,393 2.891,394 1.089,395 2.5,396 1,397 3.453,398 1.956,399 1,400 1.5,402 2.148,403 0.953,404 2.249,405 0.797,406 3.262,407 1.683,408 0.763,409 1.128,411 2.136,412 0.691,413 2.137,414 0.658,415 3.247,416 1.554,417 0.64,418 0.956,420 1.607,421 0.579,422 1.027,423 0.561,424 2.546,425 0.671,426 -0.273,427 -0.317,428 -0.724,429 -0.253,430 0.759,431 -0.009,432 2.47,433 0.343,434 -0.592,435 -0.726,436 -1.47,437 -0.541,438 0.607,439 -0.353,440 2.178,441 0.224,442 -0.718,443 -0.953,445 -1.724,446 -0.674,447 0.5,448 -0.677,449 1.701,450 0.095,451 -1,452 -1.317,454 -2,455 -0.974,456 0.403,457 -1,458 1.569,459 -0.026,460 -1,461 -1.5,463 -2.347,464 -1.081,465 10.1,466 0.481,467 0.541,468 0.026,469 30.25,470 1.44,471 16,472 0.762,473 14.25,474 0.679,475 14.318,476 0.682,477 21.7,478 0.658,479 18.835,480 0.897,481 5.966,482 0.284,483 4.165,484 0.198,485 0.132,487 0.347,493 0.815,494 1.276,495 0.672,496 0.928,497 0.629,498 0.842,499 0.722,500 1.063,501 0.683,502 0.902,503 0.586,504 0.756,505 1.5,506 1.061,507 1.139,508 1.003,509 1.523,510 0.939,511 0.924,512 1.131,513 1.371,514 1.385,515 0.591,516 1.044,517 1.366,518 1.044,519 1.336,520 1.096,521 0.934,522 1.063,523 0.91,524 0.787,525 0.838,526 0.809,527 0.753,528 0.965,529 0.948,530 1.26,531 1.28,532 1.357,533 1.42,534 1.291,535 0.99,536 0.976,537 0.946,538 0.915,539 0.977,540 1.019,541 4.5,542 0.054,543 2,544 1.507,545 0.861,546 0.747,547 0.321,548 0.21,549 0.162,550 0.086,551 4387,552 14401,553 2.074,554 36.4,556 2,558 3,559 1,560 6,564 1.63,565 1.938,566 3.203,567 -0.197,569 1,571 1,573 60.142,574 1.822,575 3.813,576 4.37,577 4.756,578 4.756,579 4.756,580 2.725,581 4.107,582 4.36,583 3.336,584 700.536,585 7.464,586 7412.17,587 1,588 1,591 166.465,592 1.418,593 4.322,594 0.196,595 0.008,596 0.063,597 0.054,598 0.031,599 0.031,600 0.017,601 0.012,602 0.011,603 0.01,604 0.43,605 0.5,606 1,607 1.029,608 95.073,609 -0.089,610 -0.206,611 0.055,612 -0.029,613 -0.087,614 -0.009,615 0.181,616 -0.013,617 0.243,618 0.068,619 0.119,620 0.143,621 -0.334,622 -0.018,623 -0.119,624 0.012,625 -0.332,626 -0.055,627 0.165,628 -0.079,629 -0.072,630 -0.178,631 0.157,632 -0.079,633 -0.248,634 0.013,635 -0.371,636 -0.136,637 -0.161,638 -0.193,639 -0.074,640 0.14,641 0.037,642 0.104,643 -0.011,644 0.04,645 0.061,646 -0.309,647 -0.226,648 -0.285,649 -0.044,650 -0.32,651 0.012,652 -0.077,653 0.016,654 0.014,655 0.044,656 0.007,657 1.816,658 4.072,659 0.762,660 17.456,661 1.02,662 1.121,663 1.863,664 3.471,665 0.716,666 3.178,667 3.497,668 3.738,669 4.025,670 4.127,671 4.234,672 4.344,673 4.331,674 4.394,675 4.394,676 5.477,677 0.691,678 300.37,679 3.178,680 4.71,681 5.549,682 6.428,683 7.29,684 8.176,685 9.047,686 9.936,687 10.814,688 11.704,689 12.1,696 1,699 3,704 5,705 3,707 1,708 1,709 6,711 16,731 33,733 17,735 23,737 35,738 14,739 11,746 3,747 3,752 2,761 12,762 2,766 1,771 1,775 1,777 1,778 1,781 12,782 6,783 1,784 7,785 1,790 4,794 1,795 2,799 1,805 1,811 2,812 1,826 1,840 3,842 1,844 2,848 21,855 1,863 1,870 6.1,873 1,875 1,877 10.833,878 6.767,879 4.583,880 1.843,881 2.992,882 1.444,883 0.991,884 3.799,885 9.724,886 3.497,887 4.111,888 4.677,889 5.305,890 5.672,891 6.031,892 6.468,893 6.788,894 7.152,895 7.424,896 1,897 28,898 7.688,900 3.209,901 7.857,902 14.387,904 11.35,905 2.357,906 49.5,910 129.482,911 117.998,912 68.367,914 34.652,916 31.278,917 86.72,918 164.134,919 68.367,920 17.65,921 18.011,922 18.952,923 120.539,924 43.093,925 6.807,926 125.447,928 129.482,929 155.087,930 34.652,931 31.278,933 129.482,934 34.652,937 71.081,938 33.65,939 50.357,940 31.278,941 129.482,942 103.02,943 117.998,946 129.482,947 54.253,948 63.745,949 18.011,950 85.009,951 129.482,952 103.02,953 117.998,955 0.579,956 0.322,957 0.182,958 0.093,959 16,960 7,961 0.086,962 3,964 1,965 3.38,966 159.045,968 16,969 92.239,970 1,974 13.897,975 5.74,976 3.004,978 103.02,979 8.746,980 12.595,982 5.761,983 1.357,984 4.133,986 18.011,987 350.5,988 32,993 11.072,997 -0.149,999 33.673,1000 36.993,1001 0.361,1002 0.756,1003 0.866,1004 0.943,1005 0.943,1006 0.943,1007 4.71,1008 1,1009 5.533,1010 2.891,1011 4.174,1012 4.796,1013 1.953,1014 6.33,1015 4.067,1016 5.927,1017 0.763,1018 7.079,1019 2.148,1020 3.761,1021 4.543,1022 1.593,1023 7.182,1024 3.634,1025 7.23,1026 0.64,1027 8.724,1028 2.136,1029 5.746,1030 6.981,1031 2.904,1032 10.282,1033 5.537,1034 8.569,1035 -0.273,1036 10.428,1037 1.607,1038 6.155,1039 7.575,1040 3.032,1041 11.985,1042 5.91,1043 9.94,1044 -0.592,1045 12.17,1046 -0.724,1047 7.614,1048 9.446,1049 4.037,1050 14.579,1051 7.304,1052 11.333,1053 -0.718,1054 13.94,1055 -1.47,1056 8.398,1057 10.446,1058 4.409,1059 16.626,1060 8.038,1061 12.744,1062 -1,1063 15.729,1064 -1.724,1065 9.647,1066 12.07,1067 5.25,1068 19.042,1069 9.232,1070 3.111,1071 -1,1072 17.534,1073 -2,1074 10.607,1075 13.275,1076 5.75,1077 21.236,1078 10.135,1079 2.823,1080 10.279,1081 19.349,1082 -2.347,1083 11.771,1084 14.785,1085 6.501,1086 23.586,1087 11.247,1088 2.411,1089 9.021,1090 21.174,1091 4.195,1092 12.814,1093 16.094,1094 7.068,1095 25.845,1096 12.232,1097 2.098,1098 7.137,1099 23.005,1100 3.823,1101 13.946,1102 17.552,1103 7.771,1104 28.172,1105 13.311,1106 1.742,1107 5.64,1108 24.842,1109 3.214,1110 15.027,1111 18.914,1112 8.374,1113 30.461,1114 14.336,1115 1.576,1116 4.384,1117 26.683,1118 2.783,1119 16.148,1120 20.35,1121 9.051,1122 32.78,1123 15.404,1124 1.182,1125 4.047,1126 28.528,1127 2.401,1128 17.249,1129 21.74,1130 9.674,1131 35.085,1132 16.45,1133 4313,1134 7945,1135 15.315,1136 23.625,1137 35.378,1138 35.26,1139 35.522,1140 34.63,1141 34.692,1142 47.593,1143 4.112,1144 98.578,1145 32.782,1146 5.219,1147 5.537,1148 6.328,1149 5.185,1150 5.111,1151 7.195,1152 3.306,1153 17.141,1154 4.897,1155 9.883,1156 1.538,1157 1.533,1158 1.544,1159 1.506,1160 1.508,1161 2.069,1162 0.179,1163 4.286,1164 1.425,1165 4.018,1166 4.033,1167 4.265,1168 3.931,1169 7.43,1170 3.908,1171 3.835,1172 3.868,1173 3.884,1174 3.761,1175 5.18,1176 3.743,1177 3.618,1178 3.657,1179 3.581,1180 3.398,1181 4.851,1182 3.43,1183 3.472,1184 3.519,1185 3.413,1186 3.261,1187 4.753,1188 3.277,1189 3.019,1190 3.111,1191 2.996,1192 2.893,1193 3.95,1194 2.815,1195 2.836,1196 2.897,1197 2.717,1198 2.74,1199 3.814,1200 2.727,1201 2.735,1202 2.82,1203 2.611,1204 2.515,1205 3.808,1206 2.528,1207 2.607,1208 2.709,1209 2.464,1210 2.322,1211 3.67,1212 2.313,1213 0.195,1214 0.154,1215 0.284,1216 0.176,1217 0.135,1218 4.48,1219 0.182,1220 3.537,1221 0.083,1222 6.526,1223 0.447,1224 4.052,1225 0.128,1226 3.111,1227 4.195,1228 1.907,1229 10.279,1230 2.948,1231 1.835,1232 1.803,1233 1.938,1234 1.966,1235 0.968,1236 1.959,1237 1.617,1238 1.605,1239 1.759,1240 1.792,1241 0.895,1242 1.774,1243 1.525,1244 1.478,1245 1.721,1246 1.729,1247 0.739,1248 1.74,1249 1.275,1250 1.219,1251 1.444,1252 1.476,1253 0.552,1254 1.486,1255 1.159,1256 1.124,1257 1.253,1258 1.414,1259 0.302,1260 1.364,1261 1.022,1262 0.989,1263 1.172,1264 1.247,1265 0.257,1266 1.272,1267 0.74,1268 0.662,1269 1.007,1270 0.988,1272 1.008,1273 0.615,1274 0.534,1275 0.857,1276 0.834,1278 0.865,1279 3.85,1281 5.165,1282 3.045,1283 6.65,1284 5.352,1285 8.215,1286 7.402,1287 9.824,1289 3.314,1296 2.671,1305 22.81,1306 60.142,1307 125.836,1308 144.2,1309 156.955,1310 156.955,1311 156.955,1312 27.747,1313 6.732,1314 80.91,1315 109.15,1316 16,1317 12.236,1318 4.17,1319 3.322,1320 32.249,1321 68,1322 63,1323 0.237,1324 145.764,1325 239.95,1326 347.425,1327 6611,1329 14.82,1330 0.706,1331 0.584,1332 15.173,1333 12.27,1334 10.131,1335 0.44,1336 0.307,1337 6.214,1338 9.242,1339 5.937,1340 4.96,1341 10.539,1342 7.065,1343 9.339,1344 0.292,1345 0.168,1346 9.982,1347 5.385,1348 7.282,1349 0.178,1350 0.093,1351 8.119,1352 3.805,1353 6.406,1354 0.116,1355 0.051,1356 7.36,1357 2.79,1358 4.519,1359 0.074,1360 0.026,1361 5.232,1362 1.597,1363 0.368,1364 68.033,1365 0.256,1366 20.863,1367 0.658,1368 110,1369 377.6,1370 150.539,1371 382.459,1372 523.16,1373 358,1374 128,1375 374.3,1376 165.413,1377 391.455,1378 571.61,1379 367,1380 7.337}
{0 CHEMBL2204788,1 2.147,2 8.65,3 1.613,4 2.6,5 65.958,6 10.177,7 0.476,8 3.556,9 3.645,10 3.399,11 3.046,12 4.861,13 3.072,14 4.102,15 4.243,16 3.926,17 3.357,18 5.979,19 3.394,20 4.134,21 4.286,22 3.676,23 3.323,24 5.543,25 3.335,26 4.077,27 4.191,28 3.846,29 3.372,30 5.751,31 3.34,32 4,33 4.153,34 3.525,35 3.211,36 5.45,37 3.232,38 3.938,39 4.14,40 3.209,41 3.088,42 5.211,43 3.037,44 3.846,45 3.987,46 3.482,47 2.931,48 5.382,49 2.967,50 3.912,51 4.161,52 3.206,53 2.631,54 5.558,55 2.736,56 0.285,57 0.674,58 2.862,59 2.916,60 39.464,61 2.467,62 0.958,63 1.286,64 10.672,65 4.662,66 153.06,67 4.507,68 0.88,69 0.899,70 12.993,71 4.736,72 117.884,73 2.996,74 0.76,75 0.834,76 13.975,77 5.3,78 69.074,79 4.976,80 0.58,81 0.904,82 11.056,83 4.36,84 58.664,85 3.741,86 0.622,87 0.683,88 12.228,89 4.504,90 83.171,91 4.542,92 0.525,93 0.809,94 9.497,95 4.091,96 75.855,97 3.293,98 0.779,99 0.735,100 13.387,101 3.406,102 89.419,103 4.152,104 45,105 31,106 0.412,107 0.732,108 0.799,109 0.838,110 0.838,111 0.838,112 3.057,113 0.904,114 -3.44,115 -3.42,116 -3.27,119 36.7,120 2,121 1,132 1,145 1,146 1,152 2,158 1,161 1,162 1,174 1,175 5,178 2,180 2,187 1,195 1,198 2,199 4,204 1,207 1,211 1,212 1,215 1,220 1,224 2,227 1,232 2,236 1,237 1,242 1,249 1,250 1,263 1,271 1,275 492,276 12.411,277 12.411,278 12.411,279 12.411,280 12.411,281 11.027,282 13.854,283 7.15,284 13.005,285 10.41,286 10.41,287 10.41,288 10.41,289 10.41,290 8.283,291 16.367,292 3.463,293 11.502,294 2.759,295 1.092,296 0.742,297 0.542,298 0.542,299 0.542,300 3.701,304 1,305 1,306 348,307 3.674,310 117.122,318 1.515,319 39.708,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 48,331 173,332 4.466,333 4.273,334 6.525,335 4.052,336 3.163,337 4.171,338 3.02,339 10.318,340 2.902,341 4.18,342 3.537,343 6.442,344 3.92,345 3.06,346 3.597,347 1.907,348 10.098,349 2.584,350 3.893,351 3.136,352 5.534,353 3.474,354 2.552,355 3.081,356 0.149,357 7.495,358 2.322,359 3.584,360 2.682,361 5.213,362 3.225,363 2.254,364 2.801,366 6.477,367 2.152,368 3.198,369 2.195,370 4.765,371 2.778,372 1.821,373 2.379,375 5.052,376 1.708,377 2.921,378 1.88,379 4.33,380 2.504,381 1.569,382 2.041,384 4.154,385 1.438,386 2.372,387 1.046,388 3.856,389 1.819,390 0.934,391 1.317,393 2.624,394 0.812,395 2.139,396 0.676,397 3.279,398 1.555,399 0.643,400 0.96,402 1.635,403 0.579,404 1.028,405 0.563,406 3.047,407 0.682,408 -0.253,409 -0.288,411 -0.712,412 -0.233,413 0.889,414 0.51,415 2.534,416 0.663,417 -0.286,418 -0.33,420 -0.856,421 -0.268,422 0.598,423 0.51,424 2.398,425 0.261,426 -0.653,427 -0.781,428 -1.715,429 -0.585,430 0.402,431 0.036,432 2,433 0.095,434 -1,435 -1,436 -2,437 -0.7,438 0.056,439 -0.012,440 2,441 -0.3,442 -1,443 -1,445 -3,446 -0.7,448 -0.37,449 1.727,450 -0.3,451 -1,452 -1.311,454 -3,455 -1.081,457 -1.046,458 1.697,459 -0.315,460 -1.242,461 -1.553,463 -3.598,464 -1.134,465 9.057,466 0.453,467 0.843,468 0.042,469 23.5,470 1.175,471 10,472 0.5,473 13.5,474 0.675,475 16.129,476 0.806,477 23.343,478 0.778,479 16.873,480 0.844,481 4.765,482 0.238,483 4.478,484 0.224,485 0.242,486 0.055,487 0.331,490 3,493 0.677,494 1.049,495 0.627,496 1.011,497 0.621,498 0.918,499 0.46,500 0.76,501 0.563,502 0.912,503 0.391,504 0.775,505 1.424,506 0.863,507 1.352,508 0.816,509 1.268,510 0.863,511 0.319,512 0.774,513 1.247,514 1.474,515 0.403,516 1.232,517 0.907,518 1.032,519 1.191,520 1.177,521 0.724,522 1.105,523 0.834,524 0.85,525 1.128,526 1.088,527 0.772,528 1.201,529 0.86,530 1.312,531 0.844,532 1.514,533 1.021,534 1.429,535 0.968,536 0.977,537 0.504,538 0.656,539 0.955,540 0.695,541 7,542 0.099,543 1.778,544 2.042,545 1.015,546 0.869,547 0.397,548 0.303,549 0.255,550 0.06,551 3415,552 17234,553 1.899,554 33.3,558 1,559 1,560 8,564 1.616,565 1.702,566 3.092,567 -0.074,569 1,570 1,571 1,573 64.424,574 2.147,575 3.815,576 4.165,577 4.365,578 4.365,579 4.365,580 2.461,581 3.784,582 4.289,583 3.267,584 620.758,585 7.324,586 6415.4,588 1,590 1,591 147.207,592 1.788,593 4.189,594 0.333,595 0.02,596 0.057,597 0.085,598 0.038,599 0.038,600 0.025,601 0.019,602 0.017,603 0.01,604 0.642,605 0.5,606 1,607 1.402,608 89.001,609 -0.088,610 -0.139,611 0.023,612 -0.033,613 -0.097,614 -0.018,615 0.407,616 0.221,617 0.35,618 0.094,619 0.432,620 0.168,621 -0.488,622 0.065,623 -0.359,624 0.209,625 -0.371,626 0.026,627 0.443,628 0.126,629 -0.056,630 -0.203,631 0.24,632 -0.237,633 -0.165,634 -0.182,635 -0.278,636 -0.192,637 -0.066,638 -0.169,639 -0.091,640 -0.057,641 -0.156,642 -0.127,643 -0.06,644 -0.131,645 -0.001,646 -0.456,647 0.101,648 -0.529,649 -0.116,650 -0.453,651 0.086,652 -0.182,653 0.438,654 0.055,655 0.085,656 0.355,657 5.619,658 4.223,659 0.5,660 16.56,661 1.066,662 1.164,663 2.208,664 4.877,665 0.673,666 3.091,667 3.466,668 3.555,669 3.871,670 3.892,671 4.043,672 4.143,673 4.007,674 3.989,675 3.871,676 5.331,677 0.682,678 305.31,679 3.091,680 4.654,681 5.46,682 6.365,683 7.197,684 8.103,685 8.949,686 9.853,687 10.71,688 11.611,689 10,696 1,699 2,704 1,705 2,707 1,708 1,709 5,711 10,731 30,733 11,735 21,737 31,738 11,739 6,746 2,747 2,752 3,757 1,758 1,761 7,762 4,766 1,771 1,775 1,777 1,778 1,779 3,781 10,782 8,783 1,784 9,785 1,790 3,794 1,795 2,799 1,811 2,826 1,840 2,842 1,844 2,846 3,848 20,854 1,855 1,860 1,863 1,869 3,870 6.7,873 1,875 1,877 11.75,878 6.162,879 4.181,880 1.615,881 1.927,882 1.307,883 0.95,884 4.14,885 8.211,886 3.332,887 3.942,888 4.379,889 5.015,890 5.247,891 5.657,892 6.027,893 6.162,894 6.369,895 6.366,896 0.833,897 24,898 7.755,900 3.687,901 8.679,902 12.979,904 10.149,905 3.179,906 63.583,910 105.94,911 88.059,912 51.582,914 34.652,915 44.88,916 31.278,917 56.781,918 140.592,919 96.462,920 17.65,921 20.545,923 80.212,924 66.693,925 6.807,926 125.447,927 7.76,928 105.94,929 108.363,930 79.533,931 31.278,933 105.94,934 79.533,937 63.28,938 11.512,939 33.571,940 31.278,941 150.82,942 86.234,943 88.059,946 113.699,947 53.602,948 26.698,949 18.011,950 113.104,951 105.94,952 131.114,953 88.059,955 0.599,956 0.286,957 0.161,958 0.081,959 15,960 8,961 0.097,962 3,964 1,965 3.128,966 142.856,968 10,969 81.684,970 1,974 14.982,975 5.526,976 4.037,978 131.114,979 1.221,980 7.682,982 5.071,983 1.114,984 1.249,986 18.011,987 325.113,988 27,993 10.926,997 -0.277,999 31.993,1000 34.929,1001 0.438,1002 0.777,1003 0.849,1004 0.89,1005 0.89,1006 0.89,1007 4.6,1008 0.643,1009 5.533,1010 2.624,1011 4.143,1012 4.625,1013 3.032,1014 6.372,1015 3.957,1016 5.857,1017 -0.253,1018 7.117,1019 1.635,1020 4.111,1021 4.649,1022 3.242,1023 7.526,1024 3.756,1025 7.194,1026 -0.286,1027 8.8,1028 -0.712,1029 5.838,1030 6.798,1031 4.717,1032 10.445,1033 5.443,1034 8.558,1035 -0.653,1036 10.538,1037 -0.856,1038 6.494,1039 7.543,1040 5.546,1041 12.311,1042 5.916,1043 9.945,1044 -1,1045 12.309,1046 -1.715,1047 7.826,1048 9.25,1049 6.732,1050 14.838,1051 7.197,1052 11.347,1053 -1,1054 14.102,1055 -2,1056 8.757,1057 10.335,1058 7.757,1059 16.976,1060 7.964,1061 12.763,1062 -1,1063 15.912,1064 -3,1065 9.957,1066 11.863,1067 8.877,1068 19.374,1069 9.093,1070 3.163,1071 -1.242,1072 17.734,1073 -3,1074 11.004,1075 13.117,1076 9.958,1077 21.621,1078 9.999,1079 3.06,1080 10.318,1081 19.565,1082 -3.598,1083 12.158,1084 14.572,1085 11.065,1086 23.973,1087 11.07,1088 2.552,1089 10.098,1090 21.403,1091 4.171,1092 13.253,1093 15.91,1094 12.163,1095 26.265,1096 12.044,1097 2.254,1098 7.495,1099 23.247,1100 3.597,1101 14.393,1102 17.337,1103 13.268,1104 28.599,1105 13.095,1106 1.821,1107 6.477,1108 25.096,1109 3.081,1110 15.511,1111 18.715,1112 14.371,1113 30.91,1114 14.105,1115 1.569,1116 5.052,1117 26.949,1118 2.801,1119 16.646,1120 20.134,1121 15.475,1122 33.238,1123 15.151,1124 0.934,1125 4.154,1126 28.805,1127 2.379,1128 17.774,1129 21.533,1130 16.58,1131 35.556,1132 16.18,1133 3591,1134 8208,1135 12.83,1136 20.193,1137 32.934,1138 31.777,1139 32.837,1140 32.103,1141 31.993,1142 40.694,1143 10.152,1144 95.705,1145 28.997,1146 5.253,1147 6.273,1148 5.745,1149 5.185,1150 5.163,1151 6.919,1152 4.53,1153 17.166,1154 4.831,1155 13.491,1156 1.568,1157 1.513,1158 1.564,1159 1.529,1160 1.523,1161 1.938,1162 0.483,1163 4.557,1164 1.381,1165 3.993,1166 4.005,1167 4.264,1168 3.917,1169 8.513,1170 3.879,1171 3.745,1172 3.781,1173 3.799,1174 3.553,1175 7.999,1176 3.572,1177 3.522,1178 3.568,1179 3.467,1180 3.29,1181 7.999,1182 3.312,1183 3.399,1184 3.447,1185 3.391,1186 3.106,1187 7.43,1188 3.15,1189 3.018,1190 3.11,1191 2.996,1192 2.891,1193 5.147,1194 2.813,1195 2.674,1196 2.765,1197 2.562,1198 2.373,1199 4.768,1200 2.405,1201 2.555,1202 2.649,1203 2.399,1204 2.208,1205 3.95,1206 2.232,1207 2.267,1208 2.298,1209 2.17,1210 1.919,1211 3.808,1212 1.971,1213 0.213,1214 0.203,1215 0.311,1216 0.193,1217 0.151,1218 4.466,1219 0.199,1220 4.273,1221 0.144,1222 6.525,1223 0.491,1224 4.052,1225 0.138,1226 3.163,1227 4.171,1228 3.02,1229 10.318,1230 2.902,1231 1.62,1232 1.612,1233 1.759,1234 1.816,1235 0.912,1236 1.778,1237 1.533,1238 1.49,1239 1.721,1240 1.79,1241 0.89,1242 1.764,1243 1.525,1244 1.478,1245 1.683,1246 1.722,1247 0.739,1248 1.731,1249 1.272,1250 1.219,1251 1.439,1252 1.476,1253 0.552,1254 1.485,1255 1.049,1256 1.007,1257 1.173,1258 1.294,1259 0.274,1260 1.287,1261 0.829,1262 0.793,1263 0.913,1264 1.241,1266 1.152,1267 0.519,1268 0.465,1269 0.638,1270 0.789,1272 0.777,1273 0.379,1274 0.3,1275 0.466,1276 0.713,1278 0.723,1279 3.761,1281 5.118,1282 3.045,1283 6.605,1284 5.352,1285 8.159,1286 7.391,1287 9.755,1289 3.009,1291 36.668,1295 -1.219,1296 2.507,1301 -4.369,1305 20.465,1306 64.424,1307 114.452,1308 124.942,1309 130.942,1310 130.942,1311 130.942,1312 44.412,1313 6.284,1314 68.02,1315 96.26,1316 10,1317 12.141,1318 3.585,1319 2.807,1320 36.497,1321 63,1322 57,1323 0.295,1324 129.963,1325 226.44,1326 308.87,1327 3476,1328 10,1329 14.914,1330 0.746,1331 0.568,1332 12.767,1333 11.354,1334 9.243,1335 0.44,1336 0.301,1337 5.419,1338 8.116,1339 5.216,1340 4.279,1341 8.505,1342 6.329,1343 9.812,1344 0.317,1345 0.162,1346 8.098,1347 5.024,1348 5.935,1349 0.175,1350 0.097,1351 6.448,1352 3.296,1353 5.484,1354 0.117,1355 0.052,1356 5.758,1357 2.457,1358 3.508,1359 0.073,1360 0.028,1361 3.838,1362 1.353,1363 0.456,1364 64.455,1365 0.279,1366 19.921,1367 0.822,1368 104,1369 578.288,1370 160.169,1371 485.825,1372 620.15,1373 448,1374 117,1375 412.187,1376 161.146,1377 404.827,1378 605.83,1379 379,1380 7.367}
{0 CHEMBL2204791,1 1.716,2 7.895,3 2.036,4 4.144,5 74.101,6 7.761,7 0.5,8 3.67,9 3.786,10 3.324,11 3.208,12 4.783,13 3.156,14 4.198,15 4.388,16 3.782,17 3.57,18 5.292,19 3.51,20 4.325,21 4.482,22 3.709,23 3.629,24 5.461,25 3.538,26 4.536,27 4.789,28 3.707,29 3.642,30 5.535,31 3.517,32 4.144,33 4.32,34 3.331,35 3.449,36 5.216,37 3.334,38 4.086,39 4.328,40 3.302,41 3.354,42 5.018,43 3.204,44 4.021,45 4.167,46 3.164,47 3.351,48 5.204,49 3.196,50 4.15,51 4.414,52 2.684,53 3.116,54 5.158,55 2.939,56 0.029,57 0.54,58 7.865,59 3.501,60 5.226,61 4.353,62 0.237,63 0.84,64 16.778,65 5.612,66 23.782,67 7.445,68 0.232,69 0.917,70 18.9,71 6.352,72 29.477,73 7.618,74 0.565,75 0.993,76 30.213,77 7.876,78 47.316,79 9.791,80 0.238,81 0.774,82 16.003,83 5.419,84 17.511,85 6.803,86 0.164,87 0.681,88 15.187,89 5.535,90 16.359,91 7.151,92 0.238,93 0.68,94 19.457,95 6.12,96 29.527,97 6.703,98 0.277,99 0.645,100 14.968,101 4.462,102 33.373,103 6.606,104 42,105 30,106 0.316,107 0.608,108 0.703,109 0.734,110 0.734,111 0.734,112 3.01,113 1.021,114 -3.57,115 -3.55,116 -3.38,119 36.1,120 5,123 1,145 1,146 1,152 2,158 1,161 1,162 1,172 3,174 1,175 5,178 2,180 2,183 3,187 7,195 1,198 2,199 4,204 1,207 1,211 1,212 1,215 1,220 1,224 2,227 1,232 5,236 1,237 4,242 1,245 3,249 1,250 1,255 3,263 1,271 1,275 421,276 11.781,277 11.781,278 11.781,279 11.781,280 11.781,281 10.435,282 15.328,283 6.69,284 12.097,285 9.879,286 9.879,287 9.879,288 9.879,289 9.879,290 7.782,291 19.029,292 3.198,293 10.442,294 3.454,295 1.871,296 1.355,297 1.189,298 1.189,299 1.189,300 3.651,303 1,304 1,305 1,306 302,307 3.536,310 108.882,318 1.374,319 18.443,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 41.5,331 150,332 4.537,333 3.554,334 7.122,335 4.327,336 3.339,337 4.191,338 1.907,339 11.722,340 3.302,341 4.335,342 3.534,343 6.494,344 3.968,345 3.043,346 3.767,347 0.149,348 10.141,349 2.823,350 3.759,351 3.098,352 5.459,353 3.401,354 2.453,355 3.04,357 7.246,358 2.318,359 3.493,360 2.393,361 5.023,362 3.108,363 2.119,364 2.707,366 5.816,367 2.08,368 3.066,369 2.032,370 4.5,371 2.611,372 1.671,373 2.213,375 4.423,376 1.537,377 2.749,378 1.504,379 4.322,380 2.344,381 1.412,382 1.824,384 4.01,385 1.304,386 2.253,387 0.864,388 3.82,389 1.712,390 0.806,391 1.147,393 2.365,394 0.718,395 2.136,396 0.664,397 3.272,398 1.554,399 0.641,400 0.956,402 1.614,403 0.579,404 1.027,405 0.561,406 2.698,407 0.671,408 -0.273,409 -0.317,411 -0.724,412 -0.253,413 0.624,414 -0.009,415 2.524,416 0.286,417 -0.629,418 -0.752,420 -1.646,421 -0.563,422 0.404,423 -0.353,424 2.307,425 0.095,426 -1,427 -1,428 -2,429 -1,430 0.115,431 -0.92,432 2,434 -1,435 -1,436 -3,437 -1,438 0.01,439 -1,440 2,442 -1,443 -1.294,445 -3,446 -1.072,448 -1,449 1.701,450 -0.215,451 -1.176,452 -1.446,454 -3.414,455 -1.11,457 -1.101,458 1.569,459 -0.387,460 -1.339,461 -1.678,463 -4.134,464 -1.282,465 9.2,466 0.484,467 0.816,468 0.043,469 22.25,470 1.171,471 10,472 0.526,473 12.25,474 0.645,475 17.912,476 0.943,477 21.4,478 0.594,479 13.243,480 0.697,481 3.956,482 0.208,483 4.813,484 0.253,485 0.308,486 0.054,487 0.326,493 0.788,494 1.398,495 0.761,496 1.066,497 0.675,498 1.023,499 0.578,500 1.008,501 0.575,502 0.832,503 0.464,504 0.682,505 1.415,506 1.379,507 1.176,508 1.267,509 1.393,510 1.261,511 1.301,512 0.729,513 1.094,514 0.832,515 0.681,516 0.677,517 1.056,518 1.242,519 1.352,520 1.319,521 0.85,522 1.349,523 0.675,524 0.842,525 0.772,526 0.847,527 0.621,528 0.908,529 1.007,530 1.631,531 2.202,532 2.091,533 1.314,534 1.598,535 1.094,536 1.132,537 0.964,538 0.995,539 1.037,540 1.317,541 6.5,543 2.444,544 1.722,545 1.195,546 0.74,547 0.449,548 0.279,549 0.137,550 0.12,551 2854,552 8239,553 1.894,554 47.2,555 9,558 1,559 1,560 6,564 1.603,565 1.689,566 2.977,567 -0.198,569 1,571 1,573 61.77,574 1.716,575 3.299,576 3.815,577 3.981,578 3.981,579 3.981,580 2.42,581 3.787,582 4.216,583 3.142,584 537.298,585 7.183,586 5264.94,587 1,588 1,590 1,591 186.117,592 1.799,593 4.109,594 0.325,596 0.081,597 0.069,598 0.048,599 0.039,600 0.026,601 0.017,602 0.017,603 0.024,604 0.647,605 0.67,606 1,607 1.314,608 82.157,609 -0.043,610 -0.197,611 0.069,612 -0.031,613 -0.096,614 -0.018,615 0.303,616 0.067,617 0.395,618 0.193,619 0.238,620 0.313,621 -0.23,622 -0.272,623 -0.176,624 -0.236,625 -0.257,626 -0.315,627 -0.046,628 0.222,629 0.116,630 0.233,631 0.065,632 0.285,633 -0.116,634 -0.12,635 -0.391,636 -0.304,637 -0.128,638 -0.391,639 0.044,640 0.128,641 0.158,642 0.137,643 0.067,644 0.1,645 -0.009,646 -0.476,647 -0.691,648 -0.643,649 0.007,650 -0.532,651 -0.128,652 -0.233,653 -0.276,654 -0.28,655 -0.098,656 -0.421,657 1.798,658 4.026,659 0.526,660 14.078,661 1.006,662 1.132,663 2.343,664 5.491,665 0.664,666 3.045,667 3.434,668 3.584,669 3.829,670 3.892,671 4.06,672 4.06,673 3.951,674 3.912,675 3.761,676 4.928,677 0.621,678 279.4,679 3.045,680 4.615,681 5.442,682 6.347,683 7.204,684 8.109,685 8.979,686 9.882,687 10.759,688 11.661,689 8.3,696 1,699 2,704 1,705 2,707 1,708 1,709 5,711 10,731 36,733 11,735 20,737 37,738 13,739 6,746 2,747 2,752 5,753 1,761 7,762 6,766 1,771 1,775 1,777 1,778 1,781 17,782 5,783 1,784 6,785 1,790 3,794 1,795 2,799 1,811 2,826 1,840 2,842 1,844 5,848 19,855 1,860 1,863 1,870 5.6,873 1,875 1,877 11.25,878 8.233,879 3.972,880 2.071,881 1.924,882 1.311,883 0.916,884 3.768,885 8.106,886 3.296,887 3.922,888 4.416,889 5.015,890 5.27,891 5.703,892 5.994,893 6.183,894 6.386,895 6.326,896 1,897 25,898 6.99,900 2.868,901 7.82,902 13.223,904 10.428,905 2.32,906 44.083,907 0.001,910 188.338,911 104.24,912 51.582,914 34.652,916 31.278,917 72.963,918 222.99,919 51.582,920 44.126,921 18.011,923 80.212,924 21.812,925 6.807,926 207.844,928 188.338,929 124.545,930 34.652,931 31.278,933 188.338,934 34.652,937 79.462,938 11.512,939 33.571,940 31.278,941 188.338,942 86.234,943 104.24,946 188.338,947 51.067,948 53.173,949 18.011,950 68.223,951 188.338,952 86.234,953 104.24,955 0.606,956 0.313,957 0.158,958 0.081,959 15,960 8,961 0.081,962 3,964 1,965 2.994,966 135.33,968 10,969 73.956,970 1,974 14.194,975 5.044,976 3.212,978 86.234,979 1.707,980 8.597,982 5.78,983 1.388,984 3.679,986 18.011,987 378.812,988 26,993 11.026,997 -0.131,999 36.222,1000 40.74,1001 0.332,1002 0.638,1003 0.738,1004 0.77,1005 0.77,1006 0.77,1007 4.57,1008 0.641,1009 5.525,1010 2.365,1011 4.111,1012 4.605,1013 1.953,1014 6.402,1015 4.01,1016 5.837,1017 -0.273,1018 7.144,1019 1.614,1020 4.111,1021 4.649,1022 1.593,1023 7.662,1024 4.023,1025 7.186,1026 -0.629,1027 8.873,1028 -0.724,1029 5.844,1030 6.809,1031 2.904,1032 10.635,1033 5.671,1034 8.567,1035 -1,1036 10.666,1037 -1.646,1038 6.567,1039 7.597,1040 3.032,1041 12.648,1042 6.408,1043 9.975,1044 -1,1045 12.499,1046 -2,1047 7.912,1048 9.305,1049 4.037,1050 15.245,1051 7.697,1052 11.402,1053 -1,1054 14.361,1055 -3,1056 8.912,1057 10.427,1058 4.409,1059 17.524,1060 8.701,1061 12.844,1062 -1.176,1063 16.243,1064 -3,1065 10.14,1066 11.957,1067 5.25,1068 20.011,1069 9.895,1070 3.339,1071 -1.339,1072 18.14,1073 -3.414,1074 11.248,1075 13.235,1076 5.75,1077 22.389,1078 11.001,1079 3.043,1080 11.722,1081 20.049,1082 -4.134,1083 12.44,1084 14.692,1085 6.501,1086 24.843,1087 12.174,1088 2.453,1089 10.141,1090 21.966,1091 4.191,1092 13.593,1093 16.044,1094 7.068,1095 27.26,1096 13.321,1097 2.119,1098 7.246,1099 23.89,1100 3.767,1101 14.777,1102 17.474,1103 7.771,1104 29.706,1105 14.494,1106 1.671,1107 5.816,1108 25.82,1109 3.04,1110 15.949,1111 18.86,1112 8.374,1113 32.14,1114 15.66,1115 1.412,1116 4.423,1117 27.754,1118 2.707,1119 17.133,1120 20.28,1121 9.051,1122 34.587,1123 16.837,1124 0.806,1125 4.01,1126 29.691,1127 2.213,1128 18.314,1129 21.684,1130 9.674,1131 37.03,1132 18.013,1133 3021,1134 5281,1135 12.137,1136 23.904,1137 31.859,1138 31.693,1139 32.026,1140 30.85,1141 30.966,1142 39.694,1143 4.112,1144 94.674,1145 29.32,1146 5.276,1147 5.554,1148 6.309,1149 5.46,1150 5.339,1151 6.94,1152 3.306,1153 18.824,1154 5.229,1155 12.814,1156 1.593,1157 1.585,1158 1.601,1159 1.542,1160 1.548,1161 1.985,1162 0.206,1163 4.734,1164 1.466,1165 4.006,1166 4.021,1167 4.264,1168 3.925,1169 7.43,1170 3.893,1171 3.779,1172 3.818,1173 3.816,1174 3.668,1175 5.155,1176 3.653,1177 3.544,1178 3.594,1179 3.443,1180 3.328,1181 4.77,1182 3.349,1183 3.421,1184 3.477,1185 3.32,1186 3.22,1187 4.215,1188 3.23,1189 3.018,1190 3.11,1191 2.996,1192 2.892,1193 3.947,1194 2.813,1195 2.874,1196 3.009,1197 2.499,1198 2.618,1199 3.808,1200 2.57,1201 2.874,1202 3.009,1203 2.499,1204 2.618,1205 3.67,1206 2.57,1207 2.628,1208 2.732,1209 2.492,1210 2.352,1211 3.467,1212 2.349,1213 0.227,1214 0.178,1215 0.356,1216 0.216,1217 0.167,1218 4.537,1219 0.21,1220 3.554,1221 0.095,1222 7.122,1223 0.586,1224 4.327,1225 0.165,1226 3.339,1227 4.191,1228 1.907,1229 11.722,1230 3.302,1231 1.755,1232 1.71,1233 1.977,1234 1.92,1235 1.185,1236 1.938,1237 1.616,1238 1.601,1239 1.759,1240 1.792,1241 0.896,1242 1.774,1243 1.525,1244 1.478,1245 1.721,1246 1.727,1247 0.739,1248 1.739,1249 1.273,1250 1.219,1251 1.442,1252 1.476,1253 0.552,1254 1.485,1255 1.064,1256 1.017,1257 1.417,1258 1.293,1259 0.469,1260 1.308,1261 0.934,1262 0.865,1263 1.417,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.174,1270 1.239,1271 0.277,1272 1.295,1273 0.905,1274 0.804,1275 1.052,1276 1.238,1277 0.017,1278 1.207,1279 3.714,1281 5.081,1282 3.045,1283 6.594,1284 5.352,1285 8.178,1286 7.413,1287 9.803,1289 9.486,1296 2.679,1301 -0.128,1305 22.369,1306 61.77,1307 118.759,1308 137.323,1309 143.323,1310 143.323,1311 143.323,1312 33.126,1313 6.182,1314 68.02,1315 96.26,1316 10,1317 12.186,1318 3.585,1319 2.807,1320 33.682,1321 55,1322 52,1323 0.313,1324 145.553,1325 242.83,1326 346.91,1327 2951,1329 14.207,1330 0.748,1331 0.659,1332 14.56,1333 12.513,1334 8.77,1335 0.438,1336 0.34,1337 5.97,1338 7.959,1339 5.505,1340 4.702,1341 9.178,1342 6.805,1343 9.244,1344 0.308,1345 0.213,1346 9.886,1347 6.393,1348 6.15,1349 0.176,1350 0.101,1351 6.987,1352 3.538,1353 5.122,1354 0.114,1355 0.056,1356 6.076,1357 2.514,1358 3.385,1359 0.071,1360 0.03,1361 4.095,1362 1.425,1363 0.478,1364 59.366,1365 0.287,1366 18.843,1367 0.893,1368 100,1369 315.955,1370 139.152,1371 322.7,1372 438.47,1373 300,1374 115,1375 312.187,1376 151.413,1377 330.907,1378 481.58,1379 307,1380 7.824}
{0 CHEMBL2205766,1 1.793,2 9.417,3 1.184,4 1.403,5 92.917,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.983,13 3.358,14 4.382,15 4.55,16 3.996,17 3.772,18 5.757,19 3.74,20 4.599,21 4.773,22 4.011,23 3.941,24 5.784,25 3.851,26 4.786,27 5.035,28 3.935,29 3.915,30 5.974,31 3.802,32 4.555,33 4.732,34 3.755,35 3.73,36 5.891,37 3.678,38 4.409,39 4.605,40 3.674,41 3.679,42 5.595,43 3.583,44 4.465,45 4.727,46 3.582,47 3.534,48 5.574,49 3.452,50 4.14,51 4.331,52 3.453,53 3.376,54 5.438,55 3.285,56 0.14,57 0.713,58 10.59,59 3.7,60 19.014,61 4.451,62 0.428,63 1.085,64 17.255,65 6.268,66 61.24,67 7.902,68 0.369,69 1.284,70 22.996,71 7.869,72 40.246,73 9.497,74 0.631,75 1.264,76 39.369,77 11.063,78 83.669,79 13.55,80 0.599,81 1.031,82 22.412,83 6.971,84 104.184,85 8.052,86 0.288,87 1.007,88 18.874,89 6.69,90 31.617,91 8.488,92 0.458,93 0.933,94 23.478,95 5.923,96 58.252,97 8.491,98 0.408,99 0.745,100 13.471,101 4.631,102 39.779,103 6.219,104 40,105 40,106 0.312,107 0.663,108 0.755,109 0.783,110 0.783,111 0.783,112 3.229,113 1.008,114 -2.85,115 -2.86,116 -2.77,119 35.7,120 3,130 1,142 3,143 2,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 4,177 2,178 4,180 3,183 7,187 8,189 1,190 1,192 1,195 2,198 2,199 14,202 1,204 2,209 1,212 5,217 3,220 3,222 2,223 2,224 8,229 3,232 3,234 1,236 1,242 1,245 3,247 1,249 4,252 1,253 3,258 6,262 2,266 1,275 762,276 15.091,277 15.091,278 15.091,279 15.091,280 15.091,281 13.005,282 10.781,283 8.506,284 15.533,285 12.875,286 12.875,287 12.875,288 12.875,289 12.875,290 9.617,291 11.314,292 4.082,293 13.604,294 3.599,295 1.579,296 1.049,297 0.888,298 0.888,299 0.888,300 3.898,304 1,305 1,306 475,307 4,310 56.166,311 138.836,314 96.253,318 1.5,319 31.51,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 53,331 226,332 4.877,333 4.691,334 7.356,335 4.395,336 3.464,337 4.714,339 12.767,340 3.217,341 4.503,342 3.18,343 6.362,344 4.01,345 3.05,346 4.444,348 9.806,349 2.941,350 4.119,351 3.052,352 6.312,353 3.904,354 2.951,355 3.69,357 9.639,358 2.786,359 3.991,360 2.716,361 6.032,362 3.652,363 2.683,364 3.054,366 8.715,367 2.58,368 3.454,369 2.077,370 4.899,371 2.942,372 2,373 2.851,375 5.546,376 1.891,377 3.21,378 1.799,379 4.784,380 2.711,381 1.765,382 2.488,384 5.094,385 1.66,386 3.013,387 1.521,388 4.452,389 2.475,390 1.518,391 2.262,393 4.343,394 1.45,395 2.733,396 1.329,397 4.222,398 2.215,399 1.236,400 1.825,402 3.528,403 1.206,404 2.579,405 1.101,406 3.498,407 2.024,408 1.083,409 1.614,411 2.497,412 1.016,413 1.903,414 0.412,415 3.278,416 1.378,417 0.41,418 0.61,420 1.08,421 0.396,422 1,423 0.206,424 3.161,425 0.638,426 -0.324,427 -0.358,428 -1.098,429 -0.308,430 0.963,431 -0.28,432 2.687,433 0.523,434 -0.435,435 -0.574,436 -1.201,437 -0.415,438 0.861,439 -0.348,440 2.593,441 0.277,442 -0.652,443 -0.851,445 -1.628,446 -0.6,447 0.756,448 -0.604,449 2.209,450 0.161,451 -0.782,452 -1,454 -2.208,455 -0.725,456 0.657,457 -0.946,458 2,460 -1,461 -1,463 -2.705,464 -0.931,465 11.4,466 0.475,467 1.033,468 0.043,469 33.25,470 1.385,471 17.5,472 0.729,473 15.75,474 0.656,475 18.777,476 0.782,477 26.4,478 0.629,479 24.816,480 1.034,481 6.124,482 0.255,483 5.014,484 0.209,485 0.225,486 0.117,487 0.254,493 0.617,494 1.42,495 0.822,496 1.277,497 0.791,498 0.959,499 0.532,500 1.027,501 0.71,502 0.874,503 0.456,504 0.78,505 1.126,506 1.187,507 1.247,508 1.244,509 0.977,510 1.213,511 0.974,512 0.86,513 1.229,514 1.133,515 1.006,516 0.808,517 2.092,518 0.999,519 1.151,520 0.873,521 2.512,522 1.009,523 0.905,524 1.253,525 1.106,526 1.266,527 0.836,528 1.263,529 1.116,530 0.906,531 0.849,532 0.819,533 1.051,534 0.814,535 0.662,536 0.989,537 0.945,538 1.1,539 0.972,540 1.258,541 8.5,542 0.116,543 3.111,544 2.479,545 1.288,546 1.045,547 0.58,548 0.484,549 0.302,550 0.244,551 5877,552 18068,553 1.972,554 42.9,556 3,557 1,558 2,559 3,561 9,564 1.67,565 1.778,566 3.22,567 1.121,568 1,569 1,571 1,573 75.306,574 1.793,575 3.814,576 4.344,577 4.505,578 4.505,579 4.505,580 2.705,581 4.137,582 4.559,583 3.377,584 932.103,585 7.869,586 10740.9,587 1,588 1,591 226.477,592 1.825,593 4.459,594 0.327,595 0.011,596 0.078,597 0.069,598 0.036,599 0.035,600 0.021,601 0.02,602 0.015,603 0.015,604 0.627,605 0.33,606 1,607 1.264,608 113.18,609 0.078,610 -0.137,611 0.215,612 -0.083,613 -0.218,614 0.023,615 0.366,616 0.106,617 0.206,618 0.14,619 0.367,620 0.175,621 -0.222,622 -0.056,623 -0.213,624 -0.147,625 -0.141,626 -0.247,627 0.064,628 0.046,629 0.065,630 0.063,631 0.135,632 0.256,633 -0.515,634 -0.067,635 -0.245,636 0.058,637 -0.495,638 -0.093,639 -0.071,640 -0.208,641 -0.177,642 -0.253,643 -0.047,644 -0.278,645 -0.1,646 -0.008,647 0.116,648 0.088,649 -0.063,650 0.159,651 0.333,652 0.049,653 -0.097,654 -0.179,655 0.038,656 -0.32,657 4.569,658 5.453,659 0.625,660 18.396,661 1.015,662 1.139,663 1.624,664 2.638,665 0.67,666 3.296,667 3.714,668 3.871,669 4.174,670 4.317,671 4.369,672 4.554,673 4.654,674 4.663,675 4.718,676 5.691,677 0.641,678 346.46,679 3.296,680 4.89,681 5.727,682 6.65,683 7.506,684 8.426,685 9.291,686 10.207,687 11.078,688 11.99,689 14.3,691 1,693 1,697 1,699 3,703 1,704 6,705 3,709 4,711 16,722 1,731 42,733 18,735 26,737 44,738 15,739 11,746 3,747 4,752 3,761 11,762 4,763 1,766 2,769 1,771 2,777 1,778 1,781 18,782 7,783 3,784 9,785 1,790 6,794 0.667,795 2,805 2,811 1,812 2,815 1,840 2,842 1,844 3,848 24,849 1,852 1,855 1,860 1,867 1,870 4.8,873 2,877 13.5,878 8.383,879 4.889,880 2.232,881 3.312,882 1.468,883 0.977,884 3.978,885 10.388,886 3.611,887 4.327,888 4.857,889 5.499,890 6.017,891 6.376,892 6.896,893 7.324,894 7.606,895 8.016,896 1,897 36,898 9.066,900 4.133,901 8,902 16.503,904 13.658,905 2.5,906 60,910 176.567,911 99.39,912 100.7,914 44.313,916 5.807,917 93.583,918 220.879,919 100.7,920 26.476,922 92.586,923 119.805,924 27.181,925 13.67,926 141.253,928 176.567,929 194.283,930 44.313,931 5.807,933 70.627,934 150.253,937 65.754,938 78.295,939 56.042,941 176.567,942 145.013,943 99.39,945 5.807,946 176.567,947 11.536,948 83.211,949 16.405,950 127.444,951 176.567,952 145.013,953 99.39,955 0.611,956 0.316,957 0.174,958 0.088,959 21,960 10,961 0.091,962 4,963 1,964 1.133,965 3.451,966 197.83,967 0.133,968 15,969 103.284,973 1,974 16.681,975 5.724,976 3.685,977 0.575,978 143.849,979 9.78,980 12.16,984 1.72,986 49.302,987 420.97,988 36,991 -3.653,993 24.906,999 42.643,1000 47.82,1001 0.333,1002 0.707,1003 0.806,1004 0.835,1005 0.835,1006 0.835,1007 4.89,1008 1.236,1009 5.826,1010 4.343,1011 4.394,1012 5.014,1014 6.73,1015 4.29,1016 6.194,1017 1.083,1018 7.456,1019 3.528,1020 4.443,1021 5.255,1023 8.089,1024 4.278,1025 7.584,1026 0.41,1027 9.198,1028 2.497,1029 6.184,1030 7.42,1032 11.054,1033 5.965,1034 9.01,1035 -0.324,1036 11.004,1037 1.08,1038 6.929,1039 8.393,1041 13.133,1042 6.64,1043 10.463,1044 -0.435,1045 12.85,1046 -1.098,1047 8.292,1048 10.152,1050 15.757,1051 7.949,1052 11.938,1053 -0.652,1054 14.723,1055 -1.201,1056 9.306,1057 11.438,1059 18.103,1060 8.889,1061 13.429,1062 -0.782,1063 16.615,1064 -1.628,1065 10.55,1066 13.051,1068 20.642,1069 10.073,1070 3.464,1071 -1,1072 18.524,1073 -2.208,1074 11.673,1075 14.474,1077 23.095,1078 11.121,1079 3.05,1080 12.767,1081 20.444,1082 -2.705,1083 12.883,1084 16.033,1086 25.62,1087 12.264,1088 2.951,1089 9.806,1090 22.375,1091 4.714,1092 14.054,1093 17.515,1095 28.12,1096 13.359,1097 2.683,1098 9.639,1099 24.314,1100 4.444,1101 15.258,1102 19.055,1104 30.648,1105 14.492,1106 2,1107 8.715,1108 26.26,1109 3.69,1110 16.452,1111 20.564,1113 33.171,1114 15.609,1115 1.765,1116 5.546,1117 28.213,1118 3.054,1119 17.66,1120 22.098,1122 35.705,1123 16.743,1124 1.518,1125 5.094,1126 30.171,1127 2.851,1128 18.868,1129 23.62,1131 38.239,1132 17.872,1133 5837,1134 10405,1135 16.296,1136 28.159,1137 41.07,1138 40.995,1139 41.019,1140 40.334,1141 40.321,1142 55.103,1144 126.03,1145 38.284,1146 5.723,1147 6.691,1148 6.898,1149 5.46,1150 5.464,1151 7.714,1153 20.458,1154 5.166,1155 14.957,1156 1.58,1157 1.577,1158 1.578,1159 1.551,1160 1.551,1161 2.119,1163 4.847,1164 1.472,1165 4.136,1166 4.174,1167 4.736,1168 4.071,1169 7.717,1170 4.02,1171 4.018,1172 4.02,1173 4.073,1174 3.884,1175 6.999,1176 3.861,1177 3.719,1178 3.779,1179 3.684,1180 3.573,1181 5.303,1182 3.573,1183 3.517,1184 3.523,1185 3.494,1186 3.395,1187 4.882,1188 3.352,1189 3.298,1190 3.358,1191 3.242,1192 3.099,1193 4.736,1194 3.111,1195 2.909,1196 3.009,1197 2.811,1198 2.749,1199 4.368,1200 2.75,1201 2.874,1202 3.009,1203 2.657,1204 2.618,1205 4.145,1206 2.57,1207 2.874,1208 2.982,1209 2.499,1210 2.618,1211 3.9,1212 2.57,1213 0.188,1214 0.18,1215 0.283,1216 0.169,1217 0.133,1218 4.877,1219 0.181,1220 4.691,1222 7.356,1223 0.491,1224 4.395,1225 0.124,1226 3.464,1227 4.714,1229 12.767,1230 3.217,1231 1.992,1232 1.983,1233 2.033,1234 2.1,1235 1.22,1236 2.104,1237 1.825,1238 1.809,1239 1.963,1240 1.982,1241 1.139,1242 1.997,1243 1.676,1244 1.618,1245 1.783,1246 1.847,1247 0.94,1248 1.857,1249 1.325,1250 1.325,1251 1.45,1252 1.649,1253 0.469,1254 1.602,1255 1.299,1256 1.232,1257 1.417,1258 1.488,1259 0.469,1260 1.523,1261 0.934,1262 0.819,1263 1.417,1264 1.239,1265 0.467,1266 1.308,1267 0.934,1268 0.804,1269 1.141,1270 1.239,1271 0.259,1272 1.308,1273 0.877,1274 0.804,1275 1.109,1276 1.108,1277 0.056,1278 1.091,1279 3.97,1281 5.361,1282 2.398,1283 6.915,1284 4.727,1285 8.542,1286 6.804,1287 10.21,1289 5.35,1293 5.576,1296 2.613,1301 -0.577,1305 26.906,1306 75.306,1307 160.174,1308 182.438,1309 189.193,1310 189.193,1311 189.193,1312 49.677,1313 7.077,1314 115.27,1315 123.65,1316 17,1317 12.512,1318 4.248,1319 3.459,1320 39.265,1321 82,1322 78,1323 0.239,1324 171.873,1325 281.89,1326 411.13,1327 10155,1329 17.535,1330 0.731,1331 0.599,1332 17.785,1333 14.372,1334 11.139,1335 0.428,1336 0.336,1337 7.262,1338 9.885,1339 6.832,1340 5.767,1341 11.96,1342 8.737,1343 12.019,1344 0.3,1345 0.203,1346 13.306,1347 8.135,1348 8.063,1349 0.172,1350 0.104,1351 9.24,1352 4.876,1353 7.397,1354 0.116,1355 0.057,1356 8.634,1357 3.67,1358 5.306,1359 0.072,1360 0.029,1361 6.019,1362 2.171,1363 0.37,1364 78.577,1365 0.248,1366 23.159,1367 0.672,1368 132,1369 410.557,1370 184.4,1371 422.745,1372 574.55,1373 386,1374 153,1375 409.396,1376 215.53,1377 452.304,1378 653.13,1379 419,1380 5.61}
{0 CHEMBL2206901,1 2.003,2 12.515,3 1.99,4 3.96,5 125.218,6 9.527,7 0.514,8 4.119,9 4.23,10 3.996,11 3.594,12 5.303,13 3.598,14 4.634,15 4.803,16 4.325,17 3.941,18 6.031,19 3.93,20 4.777,21 4.934,22 4.398,23 4.105,24 6.046,25 4.065,26 4.923,27 5.115,28 4.428,29 4.129,30 6.171,31 4.073,32 4.933,33 5.128,34 4.51,35 4.1,36 6.351,37 4.087,38 4.833,39 5.002,40 4.383,41 4.163,42 6.112,43 4.097,44 4.98,45 5.209,46 4.352,47 4.111,48 6.199,49 4.037,50 4.725,51 4.909,52 4.25,53 3.988,54 5.991,55 3.891,56 0.25,57 0.875,58 9.796,59 4.151,60 24.498,61 4.654,62 0.867,63 1.242,64 21.024,65 7.14,66 74.258,67 8.266,68 0.793,69 1.425,70 28.758,71 8.821,72 62.156,73 9.384,74 1.035,75 1.46,76 39.883,77 10.765,78 114.715,79 11.895,80 1.433,81 1.45,82 33.49,83 8.596,84 138.69,85 10.481,86 0.711,87 1.456,88 29.452,89 10.665,90 50.341,91 12.498,92 1.259,93 1.358,94 42.377,95 9.839,96 130.715,97 12.239,98 0.914,99 1.122,100 34.634,101 9.221,102 70.386,103 10.883,104 71,105 50,106 0.33,107 0.687,108 0.869,109 0.881,110 0.881,111 0.881,112 3.532,113 0.993,114 -3.55,115 -3.53,116 -3.36,119 33.3,120 1,124 2,125 2,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 6,175 6,177 2,178 6,180 3,183 1,186 1,187 5,190 2,192 2,195 2,198 2,199 6,201 1,202 3,203 1,204 2,207 2,209 2,211 6,212 7,215 1,217 3,220 2,222 1,223 1,224 4,226 1,227 6,228 1,229 2,231 1,236 2,237 3,242 2,245 3,247 1,249 4,250 6,253 2,255 1,258 2,260 1,262 1,263 6,265 1,266 2,268 1,275 1938,276 21.358,277 21.358,278 21.358,279 21.358,280 21.358,281 18.752,282 28.681,283 12.518,284 22.301,285 17.23,286 17.23,287 17.23,288 17.23,289 17.23,290 13.224,291 39.566,292 5.939,293 18.785,294 3.752,295 1.587,296 0.486,297 0.412,298 0.412,299 0.412,300 4.206,301 1,302 1,306 857,307 4.301,311 337.39,318 1.954,319 49.172,322 0.5,323 0.67,324 0.5,325 0.6,327 0.5,328 0.5,329 0.47,330 74.167,331 413,332 4.801,333 3.465,334 7.268,335 4.361,336 3.378,337 4.569,338 0.86,339 12.282,340 3.322,341 4.448,342 3.198,343 6.544,344 4.039,345 3.087,346 4.143,347 0.4,348 10.384,349 2.939,350 4.205,351 3.105,352 6.065,353 3.741,354 2.813,355 3.859,356 0.4,357 8.734,358 2.603,359 4.007,360 2.829,361 5.572,362 3.514,363 2.602,364 3.616,366 7.531,367 2.367,368 3.57,369 2.693,370 5.253,371 3.153,372 2.248,373 2.904,375 6.609,376 2.017,377 3.449,378 2.367,379 4.968,380 2.994,381 2.099,382 2.764,384 5.818,385 1.803,386 3.232,387 2.252,388 4.828,389 2.796,390 1.879,391 2.481,393 5.213,394 1.72,395 3.142,396 2.085,397 4.692,398 2.73,399 1.812,400 2.381,402 4.963,403 1.653,404 2.923,405 1.914,406 4.618,407 2.662,408 1.748,409 2.004,411 4.599,412 1.569,413 2.813,414 1.835,415 4.14,416 2.331,417 1.442,418 1.856,420 3.701,421 1.24,422 2.55,423 1.564,424 3.939,425 2.038,426 1.166,427 1.575,428 2.919,429 1.008,430 2.242,431 1.069,432 3.442,433 2,434 1.058,435 1.221,436 2.21,437 0.993,438 1.68,439 0.838,440 3.098,441 1.269,442 0.424,443 0.511,445 1.03,446 0.327,447 1.409,448 0.57,449 3.014,450 1.045,451 0.155,452 0.176,454 0.351,455 0.129,456 1.124,457 0.518,458 2.7,459 0.962,460 0.08,461 0.086,463 0.133,464 0.066,465 15.862,466 0.481,467 1.087,468 0.033,469 45.5,470 1.379,471 22.5,472 0.682,473 23,474 0.697,475 28.468,476 0.863,477 36.938,478 0.684,479 39.236,480 1.189,481 8.95,482 0.271,483 6.634,484 0.201,485 0.252,486 0.053,487 0.309,493 0.769,494 1.779,495 0.636,496 1.27,497 0.789,498 0.937,499 0.793,500 0.904,501 0.665,502 0.686,503 0.553,504 0.674,505 1.123,506 1.285,507 1.153,508 1.199,509 1.033,510 1.029,511 1.195,512 1.078,513 0.961,514 1.043,515 1.504,516 0.975,517 0.95,518 0.838,519 0.701,520 0.695,521 1.119,522 0.743,523 0.71,524 1.306,525 1.023,526 1.288,527 0.685,528 1.179,529 1.289,530 0.803,531 1.085,532 0.744,533 1.337,534 0.875,535 0.981,536 0.992,537 1.425,538 1.182,539 0.789,540 1.197,541 9.5,542 0.318,543 4.222,544 2.688,545 2.4,546 1.368,547 0.915,548 0.688,549 0.493,550 0.412,551 13961,552 53864,553 1.952,554 38.9,556 12,558 2,559 4,560 3,564 1.756,565 1.776,566 3.59,567 1.753,573 108.182,574 2.003,575 4.168,576 5.269,577 5.343,578 5.343,579 5.343,580 3.083,581 4.681,582 5.016,583 3.767,584 1989,585 8.803,586 29735,591 310.764,592 1.695,593 4.936,594 0.271,595 0.01,596 0.084,597 0.052,598 0.048,599 0.025,600 0.018,601 0.016,602 0.013,603 0.011,604 0.548,605 0.17,606 0.75,607 1.566,608 174.964,609 -0.066,610 -0.458,611 0.099,612 -0.204,613 -0.202,614 -0.035,615 0.192,616 0.22,617 0.123,618 0.249,619 0.295,620 0.215,621 -0.206,622 -0.11,623 -0.186,624 -0.112,625 -0.118,626 -0.106,627 -0.167,628 -0.058,629 -0.015,630 -0.013,631 -0.215,632 -0.008,633 0.169,634 0.152,635 0.143,636 0.18,637 0.104,638 0.164,639 0.065,640 -0.197,641 -0.1,642 -0.233,643 0.071,644 -0.184,645 -0.25,646 0.101,647 -0.045,648 0.153,649 -0.224,650 0.097,651 -0.001,652 -0.018,653 -0.187,654 -0.145,655 -0.005,656 -0.188,657 4.803,658 5.559,659 0.545,660 33.537,661 1.033,662 1.145,663 2.323,664 5.398,665 0.687,666 3.584,667 3.932,668 4.127,669 4.357,670 4.605,671 4.644,672 4.71,673 4.836,674 4.927,675 4.949,676 7.356,677 0.664,678 514.45,679 3.584,680 5.142,681 5.974,682 6.86,683 7.716,684 8.605,685 9.471,686 10.36,687 11.232,688 12.121,689 16.7,692 1,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 2,731 54,733 20,735 35,737 56,738 18,739 13,746 3,747 3,748 2,752 1,761 13,762 5,766 2,769 1,771 2,781 21,782 12,783 4,784 15,785 3,790 9,794 1,795 3,805 2,812 3,839 1,840 3,842 1,844 3,845 2,848 33,849 1,852 1,854 2,855 2,856 1,859 1,869 2,870 5.6,873 2,874 1,877 18.583,878 10.569,879 7.208,880 2.744,881 3.655,882 1.48,883 0.965,884 8.231,885 11.274,886 3.85,887 4.494,888 4.958,889 5.506,890 6.075,891 6.289,892 6.628,893 7.06,894 7.404,895 7.682,896 1,897 52,898 12.386,900 5.433,901 8.065,902 22.234,904 17.396,905 2.565,906 84.639,910 200.109,911 101.573,912 152.759,913 78.297,914 55.313,916 5.569,917 96.004,918 333.719,919 152.759,920 28.105,921 6.698,922 57.419,923 179.188,924 54.48,925 46.447,926 176.567,927 39.149,928 200.109,929 248.764,930 55.313,931 83.866,933 204.765,934 44.313,935 11,937 55.047,938 88.728,939 145.05,940 39.149,941 200.109,942 208.072,943 179.871,945 5.569,946 200.109,947 30.852,948 66.671,949 34.416,950 250.435,951 200.109,952 208.072,953 179.871,955 0.588,956 0.329,957 0.168,958 0.101,959 22,960 12,961 0.161,962 9,964 1,965 4.174,966 298.752,968 18,969 164.465,973 1,974 25.301,975 10.736,976 6.602,978 208.072,979 5.942,980 20.734,984 2.309,986 67.313,987 588.051,988 46,991 -3.887,993 25.118,999 55.807,1000 61.827,1001 0.348,1002 0.724,1003 0.915,1004 0.928,1005 0.928,1006 0.928,1007 5.103,1008 1.812,1009 6.009,1010 5.213,1011 4.615,1012 5.182,1013 1.138,1014 6.849,1015 4.462,1016 6.356,1017 1.748,1018 7.599,1019 4.963,1020 4.443,1021 5.301,1023 7.991,1024 4.251,1025 7.708,1026 1.442,1027 9.298,1028 4.599,1029 6.286,1030 7.482,1031 0.787,1032 11.013,1033 6.045,1034 9.099,1035 1.166,1036 11.061,1037 3.701,1038 6.868,1039 8.344,1041 12.971,1042 6.619,1043 10.521,1044 1.058,1045 12.869,1046 2.919,1047 8.272,1048 10.095,1049 0.602,1050 15.6,1051 7.985,1052 11.966,1053 0.424,1054 14.709,1055 2.21,1056 9.189,1057 11.281,1059 17.882,1060 8.904,1061 13.429,1062 0.155,1063 16.574,1064 1.03,1065 10.439,1066 12.873,1067 0.471,1068 20.4,1069 10.127,1070 3.378,1071 0.08,1072 18.459,1073 0.351,1074 11.506,1075 14.212,1077 22.808,1078 11.194,1079 3.087,1080 12.282,1081 20.36,1082 0.133,1083 12.704,1084 15.739,1085 0.367,1086 25.298,1087 12.375,1088 2.813,1089 10.384,1090 22.275,1091 4.569,1092 13.838,1093 17.153,1095 27.756,1096 13.505,1097 2.602,1098 8.734,1099 24.199,1100 4.143,1101 15.024,1102 18.656,1103 0.283,1104 30.244,1105 14.678,1106 2.248,1107 7.531,1108 26.133,1109 3.859,1110 16.188,1111 20.109,1113 32.723,1114 15.836,1115 2.099,1116 6.609,1117 28.074,1118 3.616,1119 17.375,1120 21.604,1121 0.217,1122 35.215,1123 17.011,1124 1.879,1125 5.818,1126 30.02,1127 2.904,1128 18.555,1129 23.078,1131 37.705,1132 18.183,1133 13961,1134 27621,1135 22.076,1136 37.108,1137 52.145,1138 53.813,1139 54.876,1140 52.013,1141 51.983,1142 68.295,1143 3.32,1144 152.953,1145 47.512,1146 5.706,1147 5.465,1148 7.13,1149 5.461,1150 5.378,1151 7.569,1152 1.72,1153 19.503,1154 5.268,1155 21.808,1156 1.49,1157 1.538,1158 1.568,1159 1.486,1160 1.485,1161 1.951,1162 0.095,1163 4.37,1164 1.357,1165 4.045,1166 4.062,1167 4.723,1168 3.944,1169 7.717,1170 3.904,1171 3.949,1172 3.968,1173 4.046,1174 3.832,1175 6.999,1176 3.806,1177 3.794,1178 3.83,1179 3.948,1180 3.672,1181 5.262,1182 3.643,1183 3.692,1184 3.742,1185 3.76,1186 3.504,1187 5.056,1188 3.534,1189 3.498,1190 3.524,1191 3.439,1192 3.268,1193 4.981,1194 3.255,1195 3.18,1196 3.278,1197 3.396,1198 2.98,1199 4.7,1200 2.975,1201 3.172,1202 3.263,1203 3.212,1204 2.921,1205 4.633,1206 2.924,1207 3.075,1208 3.122,1209 2.99,1210 2.876,1211 4.495,1212 2.863,1213 0.137,1214 0.099,1215 0.208,1216 0.125,1217 0.097,1218 4.801,1219 0.131,1220 3.465,1221 0.025,1222 7.268,1223 0.351,1224 4.361,1225 0.095,1226 3.378,1227 4.569,1228 0.86,1229 12.282,1230 3.322,1231 1.904,1232 1.876,1233 1.945,1234 2.057,1235 1.131,1236 2.044,1237 1.822,1238 1.807,1239 1.851,1240 1.988,1241 1.028,1242 1.99,1243 1.675,1244 1.656,1245 1.82,1246 1.886,1247 0.931,1248 1.879,1249 1.606,1250 1.549,1251 1.735,1252 1.801,1253 0.764,1254 1.789,1255 1.37,1256 1.348,1257 1.603,1258 1.644,1259 0.703,1260 1.659,1261 1.146,1262 1.058,1263 1.453,1264 1.442,1265 0.545,1266 1.46,1267 1.129,1268 1.046,1269 1.431,1270 1.411,1271 0.426,1272 1.446,1273 1.01,1274 0.929,1275 1.191,1276 1.29,1277 0.308,1278 1.351,1279 4.263,1281 5.602,1283 7.124,1285 8.732,1287 10.386,1289 4.574,1290 12.235,1293 5.75,1295 0.387,1296 5.462,1297 4.917,1300 1.097,1305 35.867,1306 108.182,1307 225.049,1308 284.499,1309 288.499,1310 288.499,1311 288.499,1312 83.861,1313 7.618,1314 161.14,1315 169.52,1316 18,1317 12.654,1318 4.392,1319 3.585,1320 64.086,1321 146,1322 171,1323 0.214,1324 235.84,1325 400.72,1326 567.209,1327 21881,1328 3.7,1329 24.173,1330 0.733,1331 0.612,1332 25.423,1333 20.202,1334 15.585,1335 0.445,1336 0.331,1337 9.344,1338 13.358,1339 8.874,1340 7.396,1341 16.983,1342 11.58,1343 14.908,1344 0.298,1345 0.186,1346 17.03,1347 9.295,1348 11.351,1349 0.186,1350 0.102,1351 13.127,1352 6.21,1353 8.934,1354 0.116,1355 0.05,1356 10.22,1357 3.883,1358 7.438,1359 0.075,1360 0.028,1361 8.982,1362 2.744,1363 0.337,1364 114.124,1365 0.213,1366 30.552,1367 0.587,1368 170,1369 626.322,1370 262.519,1371 679.116,1372 891.27,1373 624,1374 196,1375 575.963,1376 286.438,1377 640.059,1378 927.1,1379 593,1380 7.538}
{0 CHEMBL2206902,1 2.026,2 11.909,3 1.809,4 3.271,5 123.249,6 9.854,7 0.5,8 4.104,9 4.209,10 4.012,11 3.6,12 5.27,13 3.611,14 4.637,15 4.791,16 4.359,17 3.972,18 6.038,19 3.966,20 4.829,21 4.999,22 4.431,23 4.132,24 6.048,25 4.089,26 4.881,27 5.057,28 4.443,29 4.125,30 6.147,31 4.072,32 4.894,33 5.077,34 4.48,35 4.059,36 6.361,37 4.061,38 4.761,39 4.937,40 4.344,41 4.109,42 6.006,43 4.053,44 4.858,45 5.062,46 4.39,47 4.096,48 6.083,49 4.032,50 4.733,51 4.915,52 4.259,53 3.986,54 6.003,55 3.89,56 0.26,57 0.877,58 8.504,59 4.051,60 27.306,61 4.166,62 0.837,63 1.287,64 17.964,65 7.158,66 72.445,67 7.797,68 0.929,69 1.479,70 29.609,71 9.3,72 75.036,73 9.372,74 0.986,75 1.464,76 38.38,77 10.859,78 110.961,79 10.988,80 1.424,81 1.407,82 29.42,83 8.1,84 151.08,85 9.081,86 0.711,87 1.379,88 24.306,89 9.422,90 51.058,91 11.232,92 1.005,93 1.326,94 32.242,95 8.849,96 91.71,97 10.372,98 0.986,99 1.124,100 36.363,101 9.28,102 76.39,103 10.463,104 37,105 52,106 0.335,107 0.69,108 0.839,109 0.852,110 0.852,111 0.852,112 3.532,113 0.986,114 -3.55,115 -3.53,116 -3.36,119 34.6,120 1,125 4,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 6,175 6,177 2,178 6,180 3,183 1,186 1,187 5,190 2,192 2,195 2,198 2,199 6,201 1,202 3,203 1,204 2,207 2,209 2,211 6,212 7,215 1,217 3,220 2,222 1,223 1,224 4,226 1,227 6,228 1,229 2,231 1,236 2,237 3,242 2,245 3,247 1,249 4,250 6,253 2,255 1,258 2,260 1,262 1,263 6,265 1,266 2,268 1,275 1880,276 21.643,277 21.643,278 21.643,279 21.643,280 21.643,281 19.036,282 29.572,283 12.618,284 22.557,285 17.798,286 17.798,287 17.798,288 17.798,289 17.798,290 13.801,291 41.935,292 6.06,293 19.385,294 3.674,295 1.532,296 0.63,297 0.553,298 0.553,299 0.553,300 4.222,301 1,302 1,306 842,307 3.606,311 441.295,318 1.747,319 50.578,322 0.5,323 0.67,324 0.67,325 0.6,327 0.5,328 0.5,329 0.49,330 74.167,331 393,332 4.81,333 3.49,334 7.311,335 4.379,336 3.397,337 4.573,338 0.86,339 12.526,340 3.337,341 4.448,342 3.2,343 6.544,344 4.039,345 3.087,346 4.143,347 0.4,348 10.384,349 2.939,350 4.207,351 3.113,352 6.07,353 3.745,354 2.818,355 3.86,356 0.4,357 8.762,358 2.606,359 4.007,360 2.829,361 5.572,362 3.515,363 2.603,364 3.616,366 7.533,367 2.367,368 3.571,369 2.693,370 5.255,371 3.16,372 2.252,373 2.904,375 6.618,376 2.031,377 3.449,378 2.454,379 4.968,380 2.996,381 2.102,382 2.765,384 5.818,385 1.828,386 3.232,387 2.366,388 4.915,389 2.928,390 2.014,391 2.481,393 5.368,394 1.803,395 3.146,396 2.085,397 4.823,398 2.796,399 1.879,400 2.382,402 5.19,403 1.72,404 3.122,405 1.915,406 4.618,407 2.668,408 1.75,409 2.143,411 4.963,412 1.576,413 2.837,414 1.835,415 4.178,416 2.339,417 1.453,418 1.956,420 3.775,421 1.244,422 2.55,423 1.568,424 3.939,425 2.041,426 1.169,427 1.575,428 2.92,429 1.011,430 2.255,431 1.256,432 3.62,433 2,434 1.058,435 1.231,436 2.73,437 0.993,438 2,439 1.069,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.68,448 0.838,449 3.12,450 1.269,451 0.424,452 0.511,454 1.031,455 0.326,456 1.408,457 0.563,458 3.089,459 1.003,460 0.131,461 0.159,463 0.332,464 0.102,465 15.862,466 0.481,467 1.05,468 0.032,469 46,470 1.394,471 22.5,472 0.682,473 23.5,474 0.712,475 28.141,476 0.853,477 36.338,478 0.699,479 38.224,480 1.158,481 8.843,482 0.268,483 6.865,484 0.208,485 0.189,486 0.053,487 0.309,493 0.768,494 1.707,495 0.618,496 1.223,497 0.77,498 0.884,499 0.762,500 0.994,501 0.675,502 0.783,503 0.53,504 0.774,505 1.17,506 1.137,507 1.094,508 1.056,509 1.009,510 0.953,511 1.174,512 1.136,513 1.074,514 1.199,515 1.499,516 1.043,517 1.014,518 0.853,519 0.718,520 0.709,521 1.436,522 0.791,523 0.646,524 1.141,525 0.867,526 1.033,527 0.584,528 1.046,529 1.108,530 0.949,531 1.098,532 0.856,533 0.963,534 0.966,535 1.066,536 0.97,537 1.583,538 1.221,539 0.833,540 1.243,541 9,542 0.277,543 4,544 2.75,545 2.249,546 1.361,547 0.875,548 0.656,549 0.46,550 0.372,551 14872,552 55617,553 2.036,554 36.5,556 10,558 2,559 4,560 3,564 1.755,565 1.877,566 3.548,567 1.753,573 105.369,574 2.026,575 4.168,576 5.071,577 5.147,578 5.147,579 5.147,580 2.939,581 4.56,582 5.019,583 3.721,584 1964.6,585 8.805,586 29196.4,591 296.423,592 1.628,593 4.954,594 0.25,595 0.009,596 0.077,597 0.052,598 0.044,599 0.026,600 0.017,601 0.014,602 0.012,603 0.011,604 0.511,605 0.17,606 0.75,607 0.6,608 174.423,609 -0.077,610 -0.417,611 0.094,612 -0.186,613 -0.187,614 -0.016,615 0.185,616 0.135,617 0.074,618 0.138,619 0.287,620 0.096,621 -0.229,622 -0.035,623 -0.137,625 -0.128,626 -0.022,627 -0.171,628 -0.094,629 -0.076,630 -0.101,631 -0.198,632 -0.067,633 0.133,634 0.123,635 0.096,636 0.133,637 0.009,638 0.101,639 0.099,640 -0.088,641 -0.005,642 -0.081,643 0.067,644 -0.059,645 -0.191,646 0.021,647 -0.055,648 0.055,649 -0.138,650 0.004,651 -0.057,652 -0.031,653 -0.267,654 -0.185,655 -0.037,656 -0.229,657 4.754,658 5.708,659 0.727,660 31.726,661 1.037,662 1.143,663 2.323,664 5.398,665 0.699,666 3.611,667 3.97,668 4.19,669 4.454,670 4.7,671 4.718,672 4.812,673 4.913,674 5.017,675 5.063,676 7.207,677 0.68,678 512.43,679 3.611,680 5.176,681 6.019,682 6.911,683 7.773,684 8.666,685 9.536,686 10.429,687 11.303,688 12.195,689 17.3,692 1,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 2,731 52,733 20,735 36,737 55,738 18,739 13,746 4,747 4,748 2,752 1,761 13,762 5,766 2,769 1,771 2,781 19,782 12,783 4,784 15,785 3,790 9,794 1,795 3,805 2,812 4,839 1,840 4,842 1,844 1,845 2,848 33,849 1,852 1,854 4,855 2,856 1,859 1,869 2,870 5.8,873 2,874 1,877 17.583,878 9.569,879 7.042,880 2.81,881 3.651,882 1.465,883 0.995,884 7.138,885 11.504,886 3.871,887 4.516,888 4.985,889 5.546,890 6.102,891 6.309,892 6.654,893 7.077,894 7.425,895 7.709,896 0.875,897 53,898 12.421,900 5.591,901 8.035,902 22.453,904 18.199,905 2.535,906 83.639,910 176.567,911 88.992,912 152.759,913 78.297,914 55.313,916 5.569,917 83.423,918 310.177,919 152.759,920 8.825,921 13.396,922 57.419,923 179.188,924 54.48,925 46.447,926 153.024,927 39.149,928 176.567,929 236.182,930 55.313,931 83.866,933 181.222,934 44.313,935 11,937 61.745,938 69.449,939 145.05,940 39.149,941 176.567,942 208.072,943 167.289,945 5.569,946 176.567,947 37.55,948 47.391,949 34.416,950 250.435,951 176.567,952 208.072,953 167.289,955 0.593,956 0.333,957 0.179,958 0.104,959 25,960 12,961 0.109,962 6,964 1,965 4.252,966 309.189,968 24,969 160.465,973 1,974 23.821,975 9.889,976 5.786,978 208.072,979 5.995,980 20.791,984 2.418,986 67.313,987 551.928,988 47,991 -3.838,993 25.417,999 53.924,1000 59.412,1001 0.355,1002 0.731,1003 0.889,1004 0.903,1005 0.903,1006 0.903,1007 5.133,1008 1.879,1009 6.047,1010 5.368,1011 4.654,1012 5.204,1013 1.138,1014 6.891,1015 4.5,1016 6.378,1017 1.75,1018 7.634,1019 5.19,1020 4.443,1021 5.301,1023 8.021,1024 4.251,1025 7.728,1026 1.453,1027 9.329,1028 4.963,1029 6.323,1030 7.493,1031 0.787,1032 11.063,1033 6.077,1034 9.116,1035 1.169,1036 11.09,1037 3.775,1038 6.878,1039 8.346,1041 13.033,1042 6.629,1043 10.536,1044 1.058,1045 12.898,1046 2.92,1047 8.306,1048 10.101,1049 0.602,1050 15.679,1051 8.013,1052 11.979,1053 1,1054 14.739,1055 2.73,1056 9.21,1057 11.285,1059 17.982,1060 8.924,1061 13.442,1062 0.424,1063 16.607,1064 2.136,1065 10.473,1066 12.878,1067 0.471,1068 20.518,1069 10.156,1070 3.397,1071 0.131,1072 18.496,1073 1.031,1074 11.537,1075 14.217,1077 22.95,1078 11.222,1079 3.087,1080 12.526,1081 20.402,1082 0.332,1083 12.745,1084 15.745,1085 0.367,1086 25.461,1087 12.409,1088 2.818,1089 10.384,1090 22.321,1091 4.573,1092 13.88,1093 17.16,1095 27.942,1096 13.542,1097 2.603,1098 8.762,1099 24.251,1100 4.143,1101 15.073,1102 18.664,1103 0.283,1104 30.451,1105 14.72,1106 2.252,1107 7.533,1108 26.191,1109 3.86,1110 16.242,1111 20.117,1113 32.954,1114 15.882,1115 2.102,1116 6.618,1117 28.138,1118 3.616,1119 17.435,1120 21.614,1121 0.217,1122 35.467,1123 17.062,1124 2.014,1125 5.818,1126 30.091,1127 2.904,1128 18.621,1129 23.089,1131 37.98,1132 18.24,1133 14263,1134 27801,1135 23.463,1136 36.347,1137 54.279,1138 55.95,1139 55.87,1140 54.327,1141 54.278,1142 70.595,1143 3.32,1144 160.169,1145 49.658,1146 5.81,1147 5.49,1148 7.113,1149 5.483,1150 5.397,1151 7.573,1152 1.72,1153 19.912,1154 5.282,1155 18.634,1156 1.508,1157 1.554,1158 1.552,1159 1.509,1160 1.508,1161 1.961,1162 0.092,1163 4.449,1164 1.379,1165 4.055,1166 4.069,1167 4.725,1168 3.953,1169 7.717,1170 3.908,1171 3.954,1172 3.979,1173 4.046,1174 3.835,1175 6.999,1176 3.814,1177 3.81,1178 3.852,1179 3.948,1180 3.681,1181 5.262,1182 3.668,1183 3.696,1184 3.748,1185 3.76,1186 3.504,1187 5.056,1188 3.535,1189 3.542,1190 3.538,1191 3.52,1192 3.352,1193 4.981,1194 3.318,1195 3.172,1196 3.278,1197 3.439,1198 2.977,1199 4.7,1200 2.97,1201 3.111,1202 3.206,1203 3.212,1204 2.941,1205 4.61,1206 2.911,1207 3.088,1208 3.134,1209 2.99,1210 2.905,1211 4.495,1212 2.91,1213 0.134,1214 0.097,1215 0.203,1216 0.122,1217 0.094,1218 4.81,1219 0.127,1220 3.49,1221 0.024,1222 7.311,1223 0.348,1224 4.379,1225 0.093,1226 3.397,1227 4.573,1228 0.86,1229 12.526,1230 3.337,1231 1.906,1232 1.879,1233 1.945,1234 2.06,1235 1.232,1236 2.056,1237 1.832,1238 1.817,1239 1.901,1240 2.012,1241 1.032,1242 2.006,1243 1.724,1244 1.692,1245 1.84,1246 1.92,1247 0.933,1248 1.903,1249 1.608,1250 1.55,1251 1.735,1252 1.808,1253 0.825,1254 1.793,1255 1.356,1256 1.373,1257 1.513,1258 1.58,1259 0.763,1260 1.608,1261 1.153,1262 1.064,1263 1.431,1264 1.442,1265 0.559,1266 1.46,1267 1.146,1268 1.055,1269 1.213,1270 1.376,1271 0.31,1272 1.429,1273 0.979,1274 0.938,1275 1.113,1276 1.199,1277 0.201,1278 1.193,1279 4.29,1281 5.638,1283 7.172,1285 8.791,1287 10.453,1289 1.683,1290 12.273,1293 5.757,1295 1.122,1296 5.539,1297 5.204,1300 1.277,1305 35.34,1306 105.369,1307 216.759,1308 263.668,1309 267.668,1310 267.668,1311 267.668,1312 73.255,1313 7.854,1314 161.14,1315 169.52,1316 24,1317 12.726,1318 4.392,1319 3.585,1320 54.221,1321 144,1322 140,1323 0.183,1324 228.446,1325 388.36,1326 549.169,1327 30361,1328 3.8,1329 23.587,1330 0.715,1331 0.594,1332 24.837,1333 19.616,1334 15.708,1335 0.436,1336 0.329,1337 9.606,1338 13.539,1339 9.247,1340 7.588,1341 17.107,1342 11.83,1343 15.199,1344 0.292,1345 0.18,1346 17.279,1347 9.385,1348 11.737,1349 0.181,1350 0.101,1351 13.47,1352 6.541,1353 9.882,1354 0.116,1355 0.054,1356 11.398,1357 4.604,1358 8.179,1359 0.075,1360 0.029,1361 9.89,1362 3.145,1363 0.287,1364 114.575,1365 0.206,1366 30.498,1367 0.503,1368 176,1369 632.322,1370 269.516,1371 683.572,1372 904.05,1373 630,1374 205,1375 592.225,1376 298.161,1377 650.857,1378 951.21,1379 608,1380 8.066}
{0 CHEMBL2206903,1 1.997,2 9.862,3 1.325,4 1.754,5 107.238,6 9.498,7 0.581,8 3.969,9 4.076,10 3.857,11 3.465,12 5.19,13 3.47,14 4.458,15 4.61,16 4.134,17 3.776,18 5.934,19 3.789,20 4.598,21 4.755,22 4.163,23 3.889,24 5.92,25 3.889,26 4.613,27 4.787,28 4.224,29 3.945,30 5.853,31 3.898,32 4.704,33 4.885,34 4.274,35 3.944,36 6.11,37 3.933,38 4.682,39 4.872,40 4.096,41 3.921,42 5.95,43 3.882,44 4.69,45 4.908,46 4.034,47 3.832,48 5.919,49 3.806,50 4.584,51 4.778,52 4.029,53 3.818,54 5.819,55 3.746,56 0.222,57 0.773,58 8.332,59 3.697,60 22.211,61 3.755,62 0.665,63 1.091,64 19.468,65 6.37,66 69.773,67 6.954,68 0.773,69 1.209,70 16.396,71 5.811,72 73.836,73 5.978,74 0.584,75 1.242,76 25.279,77 7.829,78 46.904,79 9.014,80 0.909,81 1.289,82 21.573,83 6.768,84 89.606,85 8.243,86 0.707,87 1.269,88 25.762,89 8.077,90 53.277,91 9.802,92 0.871,93 1.205,94 22.08,95 6.108,96 76.782,97 7.448,98 0.728,99 1.063,100 20.566,101 7.776,102 56.759,103 9.169,104 55,105 45,106 0.339,107 0.702,108 0.857,109 0.871,110 0.871,111 0.871,112 3.408,113 1.001,114 -2.35,115 -2.39,116 -2.35,119 34.8,120 1,124 2,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 4,175 7,177 2,178 5,180 3,186 1,187 5,190 2,192 2,195 1,198 2,199 5,201 1,202 3,203 1,204 2,207 2,209 2,211 5,212 4,215 1,217 2,220 2,222 1,223 1,224 4,226 1,227 5,228 1,229 2,231 1,236 3,237 3,239 1,240 1,242 1,245 1,249 3,250 3,253 2,255 1,258 2,260 1,262 1,263 5,265 1,266 2,275 1395,276 18.66,277 18.66,278 18.66,279 18.66,280 18.66,281 16.045,282 24.195,283 10.736,284 19.472,285 15.275,286 15.275,287 15.275,288 15.275,289 15.275,290 11.235,291 33.216,292 5.101,293 16.599,294 3.527,295 1.394,296 0.484,297 0.397,298 0.397,299 0.397,300 4.083,302 1,304 1,305 1,306 593,307 3.674,311 286.041,318 1.472,319 41.295,322 0.75,323 0.83,324 0.83,325 0.5,327 0.67,328 0.5,329 0.58,330 65.333,331 286,332 4.654,333 4.312,334 6.548,335 4.102,336 3.168,337 4.449,338 0.86,339 10.407,340 2.962,341 4.451,342 3.201,343 6.501,344 4.041,345 3.087,346 4.146,347 0.4,348 10.319,349 2.923,350 4.192,351 3.127,352 5.963,353 3.692,354 2.768,355 3.851,357 8.503,358 2.553,359 4.014,360 2.793,361 5.575,362 3.526,363 2.609,364 3.623,366 7.543,367 2.389,368 3.612,369 2.668,370 5.3,371 3.22,372 2.302,373 2.945,375 6.78,376 2.097,377 3.469,378 2.365,379 5.169,380 3.065,381 2.137,382 2.779,384 6.306,385 1.96,386 3.232,387 2.085,388 4.841,389 2.796,390 1.879,391 2.481,393 5.241,394 1.721,395 3.152,396 1.909,397 4.618,398 2.687,399 1.763,400 2.393,402 4.963,403 1.621,404 2.841,405 1.787,406 4.195,407 2.328,408 1.438,409 1.972,411 3.808,412 1.237,413 2.55,414 1.139,415 3.947,416 2,417 1.058,418 1.575,420 2.928,421 0.994,422 1.81,423 1.066,424 3.157,425 1.489,426 0.629,427 0.714,428 1.245,429 0.533,430 1.554,431 0.808,432 3.134,433 1.154,434 0.319,435 0.378,436 0.659,437 0.242,438 1.251,439 0.669,440 2.765,441 0.937,442 0.021,443 0.025,445 0.049,446 0.019,447 1,448 0.268,449 2.7,450 0.575,451 -0.347,452 -0.443,454 -0.891,455 -0.311,456 1,457 -0.126,458 2.382,459 0.56,460 -0.355,461 -0.445,463 -0.984,464 -0.318,465 13.748,466 0.474,467 1.031,468 0.036,469 43.25,470 1.491,471 23,472 0.793,473 20.25,474 0.698,475 21.746,476 0.75,477 31.852,478 0.692,479 34.67,480 1.196,481 8.397,482 0.29,483 5.245,484 0.181,485 0.239,486 0.061,487 0.327,493 0.79,494 1.617,495 0.692,496 1.244,497 0.82,498 0.897,499 0.761,500 1.075,501 0.835,502 1.007,503 0.519,504 0.764,505 1.395,506 1.046,507 0.884,508 0.704,509 1.408,510 0.871,511 0.757,512 1.138,513 0.936,514 1.102,515 0.661,516 1.069,517 0.78,518 1.035,519 0.746,520 0.854,521 0.825,522 0.932,523 0.795,524 1.173,525 1.049,526 1.15,527 0.609,528 1.131,529 1.147,530 0.813,531 0.828,532 0.688,533 0.955,534 0.89,535 0.924,536 1.024,537 0.794,538 0.888,539 0.615,540 1.007,541 9,542 0.285,543 2.889,544 2.313,545 2.12,546 1.153,547 0.791,548 0.663,549 0.431,550 0.357,551 9493,552 37500,553 1.965,554 37,556 8,558 2,559 4,560 3,564 1.725,565 1.785,566 3.301,567 1.834,569 1,573 91.842,574 1.997,575 4.129,576 5.04,577 5.127,578 5.127,579 5.127,580 2.635,581 4.349,582 4.831,583 3.497,584 1419.86,585 8.443,586 19234,588 1,591 254.084,592 1.713,593 4.748,594 0.29,595 0.012,596 0.064,597 0.053,598 0.048,599 0.025,600 0.018,601 0.018,602 0.012,603 0.012,604 0.554,605 0.17,606 0.88,607 1.096,608 146.098,609 -0.086,610 -0.341,611 0.117,612 -0.141,613 -0.237,614 -0.001,615 0.195,616 0.042,617 0.041,618 0.013,619 0.346,620 0.149,621 -0.365,622 0.043,623 -0.149,624 0.127,625 -0.348,626 -0.037,627 0.004,628 -0.062,629 0.009,630 -0.113,631 -0.012,632 -0.099,633 0.136,634 0.004,635 0.059,636 -0.005,637 0.081,638 -0.028,639 0.024,640 -0.156,641 -0.141,642 -0.219,643 0.045,644 -0.159,645 -0.213,646 0.193,647 -0.072,648 0.114,649 -0.17,650 0.006,651 0.024,652 -0.081,653 0.093,654 0.079,655 0.087,656 0.008,657 4.451,658 4.517,659 0.621,660 26.176,661 1.035,662 1.142,663 1.125,664 1.265,665 0.69,666 3.466,667 3.829,668 3.989,669 4.277,670 4.533,671 4.585,672 4.663,673 4.804,674 4.844,675 4.898,676 6.374,677 0.673,678 436.93,679 3.466,680 5.03,681 5.855,682 6.751,683 7.598,684 8.494,685 9.352,686 10.247,687 11.111,688 12.004,689 17.4,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,729 1,730 1,731 46,733 20,735 31,737 48,738 16,739 13,746 3,747 3,748 1,752 1,761 13,762 3,766 2,769 1,771 2,778 1,781 17,782 11,783 4,784 13,785 2,790 8,794 1,795 3,805 2,812 3,840 3,842 1,844 3,845 1,848 29,849 1,852 1,855 2,856 1,869 1,870 6.5,873 2,875 1,877 16.25,878 9.226,879 6.208,880 2.25,881 3.627,882 1.492,883 0.978,884 6.146,885 10.992,886 3.761,887 4.437,888 4.877,889 5.483,890 6.063,891 6.293,892 6.64,893 7.075,894 7.401,895 7.715,896 1,897 44,898 10.797,900 4.726,901 8.104,902 19.401,904 15.248,905 2.604,906 75.528,910 153.024,911 95.651,912 151.241,913 39.149,914 55.313,916 5.807,917 89.843,918 247.486,919 151.241,920 26.899,922 57.657,923 168.188,924 65.704,925 46.447,926 129.482,928 153.024,929 241.084,930 55.313,931 44.956,933 157.68,934 55.313,937 46.83,938 89.265,939 106.14,940 39.149,941 153.024,942 206.553,943 134.799,945 5.807,946 153.024,947 25.897,948 63.946,949 34.416,950 211.286,951 153.024,952 206.553,953 134.799,955 0.593,956 0.313,957 0.171,958 0.103,959 21,960 11,961 0.125,962 6,964 1,965 3.844,966 253.492,968 18,969 138.881,973 1,974 21.145,975 8.429,976 5.489,978 206.553,979 6.1,980 20.731,984 2.691,986 67.313,987 494.377,988 42,991 -3.534,993 23.035,999 47.614,1000 52.555,1001 0.361,1002 0.748,1003 0.912,1004 0.928,1005 0.928,1006 0.928,1007 5.014,1008 1.763,1009 5.9,1010 5.241,1011 4.511,1012 5.124,1013 1.029,1014 6.727,1015 4.355,1016 6.284,1017 1.438,1018 7.476,1019 4.963,1020 4.369,1021 5.27,1023 7.796,1024 4.132,1025 7.643,1026 1.058,1027 9.148,1028 3.808,1029 6.18,1030 7.444,1031 0.763,1032 10.756,1033 5.892,1034 9.033,1035 0.629,1036 10.873,1037 2.928,1038 6.735,1039 8.288,1041 12.544,1042 6.366,1043 10.448,1044 0.319,1045 12.631,1046 1.245,1047 8.116,1048 10.038,1049 0.597,1050 15.098,1051 7.702,1052 11.882,1053 0.021,1054 14.411,1055 0.659,1056 8.978,1057 11.192,1059 17.191,1060 8.49,1061 13.329,1062 -0.347,1063 16.207,1064 0.049,1065 10.199,1066 12.778,1067 0.47,1068 19.603,1069 9.661,1070 3.168,1071 -0.355,1072 18.015,1073 -0.891,1074 11.203,1075 14.082,1077 21.831,1078 10.597,1079 3.087,1080 10.407,1081 19.834,1082 -0.984,1083 12.362,1084 15.596,1085 0.367,1086 24.191,1087 11.704,1088 2.768,1089 10.319,1090 21.661,1091 4.449,1092 13.433,1093 16.977,1095 26.479,1096 12.71,1097 2.609,1098 8.503,1099 23.496,1100 4.146,1101 14.571,1102 18.461,1103 0.283,1104 28.821,1105 13.792,1106 2.302,1107 7.543,1108 25.336,1109 3.851,1110 15.674,1111 19.882,1113 31.134,1114 14.833,1115 2.137,1116 6.78,1117 27.18,1118 3.623,1119 16.806,1120 21.354,1121 0.217,1122 33.471,1123 15.906,1124 1.879,1125 6.306,1126 29.03,1127 2.945,1128 17.925,1129 22.798,1131 35.797,1132 16.964,1133 9495,1134 19070,1135 19.592,1136 31.722,1137 46.546,1138 48.721,1139 48.22,1140 46.34,1141 46.359,1142 62.665,1143 2.52,1144 137.5,1145 42.496,1146 5.457,1147 6.312,1148 6.095,1149 5.202,1150 5.168,1151 7.449,1152 1.72,1153 17.299,1154 4.907,1155 18.796,1156 1.501,1157 1.572,1158 1.555,1159 1.495,1160 1.495,1161 2.021,1162 0.081,1163 4.435,1164 1.371,1165 4.035,1166 4.055,1167 4.717,1168 3.963,1169 7.718,1170 3.902,1171 3.946,1172 3.956,1173 4,1174 3.829,1175 6.999,1176 3.806,1177 3.776,1178 3.8,1179 3.908,1180 3.673,1181 5.26,1182 3.631,1183 3.698,1184 3.73,1185 3.678,1186 3.496,1187 5.049,1188 3.531,1189 3.268,1190 3.33,1191 3.364,1192 3.018,1193 4.934,1194 3.032,1195 3.167,1196 3.275,1197 3.08,1198 2.918,1199 4.692,1200 2.923,1201 3.015,1202 3.088,1203 2.989,1204 2.836,1205 4.497,1206 2.83,1207 2.932,1208 3.026,1209 2.816,1210 2.703,1211 4.318,1212 2.715,1213 0.15,1214 0.139,1215 0.211,1216 0.132,1217 0.102,1218 4.654,1219 0.144,1220 4.312,1221 0.028,1222 6.548,1223 0.336,1224 4.102,1225 0.096,1226 3.168,1227 4.449,1228 0.86,1229 10.407,1230 2.962,1231 1.905,1232 1.88,1233 1.955,1234 2.063,1235 1.058,1236 2.044,1237 1.824,1238 1.814,1239 1.85,1240 1.974,1241 0.993,1242 1.982,1243 1.639,1244 1.646,1245 1.754,1246 1.852,1247 0.858,1248 1.844,1249 1.601,1250 1.553,1251 1.602,1252 1.76,1253 0.765,1254 1.786,1255 1.203,1256 1.134,1257 1.556,1258 1.506,1259 0.572,1260 1.521,1261 1.129,1262 1.03,1263 1.427,1264 1.44,1265 0.302,1266 1.456,1267 0.961,1268 0.897,1269 1.156,1270 1.206,1271 0.232,1272 1.216,1273 0.864,1274 0.785,1275 1.103,1276 1.162,1277 0.037,1278 1.157,1279 4.143,1281 5.493,1283 7.015,1285 8.618,1287 10.265,1289 4.21,1290 5.968,1293 5.741,1296 5.354,1297 5.233,1305 30.964,1306 91.842,1307 189.945,1308 231.819,1309 235.819,1310 235.819,1311 235.819,1312 61.724,1313 7.366,1314 157.9,1315 166.28,1316 18,1317 12.537,1318 4.392,1319 3.585,1320 52.155,1321 109,1322 97,1323 0.232,1324 201.528,1325 339.91,1326 483.488,1327 15104,1328 2.2,1329 21.181,1330 0.73,1331 0.593,1332 21.931,1333 17.206,1334 13.641,1335 0.44,1336 0.334,1337 8.081,1338 11.866,1339 7.611,1340 6.37,1341 14.857,1342 10.342,1343 13.606,1344 0.302,1345 0.178,1346 15.359,1347 8.004,1348 9.536,1349 0.18,1350 0.083,1351 10.354,1352 4.393,1353 8.185,1354 0.115,1355 0.044,1356 8.96,1357 3.136,1358 6.793,1359 0.074,1360 0.024,1361 7.787,1362 2.198,1363 0.358,1364 99.616,1365 0.226,1366 27.172,1367 0.653,1368 152,1369 562.474,1370 220.292,1371 590.114,1372 782.07,1373 542,1374 174,1375 529.962,1376 244.179,1377 577.382,1378 828.5,1379 534,1380 7.959}
{0 CHEMBL2206904,1 1.962,2 10.613,3 1.44,4 2.074,5 115.833,6 9.137,7 0.545,8 4.065,9 4.18,10 3.919,11 3.519,12 5.265,13 3.531,14 4.567,15 4.743,16 4.239,17 3.857,18 5.985,19 3.861,20 4.684,21 4.826,22 4.29,23 4.02,24 6.007,25 4.001,26 4.86,27 5.056,28 4.284,29 4.042,30 6.129,31 3.997,32 4.791,33 4.986,34 4.34,35 4.012,36 6.152,37 4.002,38 4.754,39 4.928,40 4.257,41 4.046,42 6.029,43 4.008,44 4.884,45 5.114,46 4.145,47 3.995,48 6.075,49 3.944,50 4.683,51 4.872,52 4.089,53 3.915,54 5.906,55 3.841,56 0.23,57 0.844,58 10.343,59 3.761,60 21.765,61 4.405,62 0.803,63 1.193,64 20.508,65 6.384,66 69.319,67 7.706,68 0.65,69 1.365,70 24.349,71 7.77,72 47.79,73 8.286,74 0.995,75 1.383,76 35.39,77 9.142,78 109.979,79 10.711,80 0.989,81 1.379,82 26.525,83 7.264,84 94.434,85 9.73,86 0.624,87 1.396,88 23.09,89 8.711,90 41.376,91 10.935,92 1.091,93 1.34,94 36.673,95 7.779,96 98.12,97 10.343,98 0.751,99 1.181,100 21.708,101 8.035,102 51.246,103 9.751,104 71,105 48,106 0.327,107 0.682,108 0.831,109 0.844,110 0.844,111 0.844,112 3.472,113 0.96,114 -3.09,115 -3.09,116 -2.97,119 33.3,120 1,124 3,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 6,175 7,177 2,178 6,180 3,186 1,187 5,190 2,192 2,195 1,198 2,199 6,201 1,202 3,203 1,204 2,207 2,209 2,211 6,212 5,215 1,217 2,220 2,222 1,223 1,224 4,226 1,227 6,228 1,229 2,231 1,236 3,237 3,239 1,240 1,242 1,245 1,249 4,250 4,253 2,255 1,258 2,260 1,262 1,263 6,265 1,266 2,275 1625,276 19.944,277 19.944,278 19.944,279 19.944,280 19.944,281 17.39,282 28.345,283 11.366,284 20.719,285 16.192,286 16.192,287 16.192,288 16.192,289 16.192,290 12.172,291 40.044,292 5.329,293 17.433,294 3.71,295 1.581,296 0.687,297 0.608,298 0.608,299 0.608,300 4.145,302 1,304 1,305 1,306 680,307 4.062,311 310.927,318 1.586,319 44.272,322 0.75,323 0.67,324 0.83,325 0.5,327 0.67,328 0.5,329 0.56,330 69.833,331 329,332 4.792,333 3.444,334 7.229,335 4.345,336 3.361,337 4.565,338 0.86,339 12.081,340 3.309,341 4.452,342 3.182,343 6.547,344 4.047,345 3.091,346 4.146,347 0.4,348 10.399,349 2.955,350 4.205,351 3.092,352 6.06,353 3.738,354 2.809,355 3.859,356 0.4,357 8.711,358 2.602,359 4.015,360 2.793,361 5.577,362 3.53,363 2.613,364 3.623,366 7.551,367 2.392,368 3.613,369 2.668,370 5.304,371 3.226,372 2.306,373 2.946,375 6.792,376 2.106,377 3.47,378 2.365,379 5.171,380 3.071,381 2.14,382 2.78,384 6.312,385 1.973,386 3.232,387 2.085,388 4.842,389 2.796,390 1.879,391 2.481,393 5.244,394 1.721,395 3.152,396 1.921,397 4.618,398 2.689,399 1.764,400 2.393,402 4.963,403 1.625,404 2.854,405 1.832,406 4.47,407 2.419,408 1.53,409 1.984,411 3.981,412 1.326,413 2.55,414 1.503,415 4.029,416 2.205,417 1.275,418 1.575,420 3.074,421 1.17,422 2.512,423 1.139,424 3.946,425 2,426 1.058,427 1.47,428 2.927,429 0.994,430 1.81,431 1.066,432 3.14,433 1.489,434 0.629,435 0.713,436 1.243,437 0.533,438 1.552,439 0.763,440 3.02,441 1.147,442 0.311,443 0.369,445 0.633,446 0.236,447 1.25,448 0.288,449 2.765,450 0.926,451 0.009,452 0.011,454 0.021,455 0.008,456 1,457 -0.126,458 2.699,459 0.574,460 -0.347,461 -0.445,463 -0.891,464 -0.317,465 14.648,466 0.473,467 1.087,468 0.035,469 44.75,470 1.444,471 23,472 0.742,473 21.75,474 0.702,475 24.512,476 0.791,477 34.552,478 0.677,479 38.126,480 1.23,481 8.825,482 0.285,483 5.76,484 0.186,485 0.258,486 0.057,487 0.335,493 0.788,494 1.793,495 0.688,496 1.352,497 0.814,498 0.964,499 0.735,500 0.84,501 0.663,502 0.678,503 0.528,504 0.617,505 1.175,506 1.389,507 1.225,508 1.325,509 1.038,510 1.084,511 1.31,512 0.971,513 1.007,514 0.907,515 1.624,516 0.968,517 0.731,518 0.951,519 0.692,520 0.797,521 0.803,522 0.834,523 0.684,524 1.332,525 0.873,526 1.196,527 0.553,528 1.174,529 1.277,530 0.786,531 1.242,532 0.807,533 1.016,534 0.943,535 0.993,536 1.078,537 0.893,538 0.983,539 0.665,540 1.14,541 9.5,542 0.334,543 4,544 2.313,545 2.2,546 1.319,547 0.874,548 0.719,549 0.456,550 0.397,551 11371,552 42570,553 1.949,554 39.2,556 11,558 2,559 4,560 3,564 1.742,565 1.763,566 3.403,567 1.791,569 1,573 100.084,574 1.962,575 4.091,576 4.986,577 5.064,578 5.064,579 5.064,580 2.729,581 4.478,582 4.928,583 3.59,584 1669.42,585 8.634,586 23744.2,591 289.294,592 1.721,593 4.839,594 0.288,595 0.012,596 0.083,597 0.046,598 0.048,599 0.026,600 0.018,601 0.018,602 0.012,603 0.012,604 0.563,605 0.17,606 0.75,607 1.239,608 159.963,609 -0.065,610 -0.481,611 0.136,612 -0.229,613 -0.228,614 -0.04,615 0.26,616 0.278,617 0.186,618 0.278,619 0.333,620 0.283,621 -0.234,622 -0.176,623 -0.246,624 -0.193,625 -0.107,626 -0.165,627 -0.23,628 0.014,629 -0.05,630 0.049,631 -0.286,632 -0.017,633 0.196,634 0.09,635 0.134,636 0.07,637 0.118,638 0.09,639 0.093,640 -0.235,641 -0.05,642 -0.239,643 0.08,644 -0.205,645 -0.271,646 0.166,647 -0.208,648 0.055,649 -0.193,650 -0.011,651 -0.044,652 -0.062,653 -0.044,654 -0.026,655 0.022,656 -0.168,657 4.692,658 5.142,659 0.581,660 29.492,661 1.031,662 1.146,663 1.863,664 3.472,665 0.676,666 3.526,667 3.892,668 4.094,669 4.304,670 4.575,671 4.644,672 4.718,673 4.852,674 4.92,675 4.97,676 6.737,677 0.657,678 465.98,679 3.526,680 5.094,681 5.932,682 6.821,683 7.683,684 8.572,685 9.442,686 10.332,687 11.205,688 12.095,689 17.6,692 1,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,729 1,730 1,731 51,733 20,735 33,737 53,738 17,739 13,746 3,747 3,748 1,752 1,761 13,762 4,766 2,769 1,771 2,778 1,781 20,782 12,783 4,784 14,785 2,790 9,794 1,795 3,805 2,812 3,840 3,842 1,844 4,845 1,848 31,849 1,852 1,855 2,856 1,859 1,869 1,870 5.9,873 2,875 1,877 17.583,878 10.426,879 6.708,880 2.516,881 3.625,882 1.483,883 0.968,884 6.887,885 11.123,886 3.807,887 4.472,888 4.951,889 5.492,890 6.077,891 6.315,892 6.663,893 7.096,894 7.434,895 7.738,896 0.857,897 50,898 11.597,900 5.077,901 8.065,902 20.815,904 16.248,905 2.565,906 79.528,910 188.338,911 105.014,912 152.759,913 39.149,914 55.313,916 5.569,917 99.445,918 282.799,919 152.759,920 36.501,922 57.419,923 168.188,924 67.222,925 46.447,926 164.795,928 188.338,929 252.205,930 55.313,931 44.718,933 192.993,934 55.313,937 48.348,938 98.868,939 105.902,940 39.149,941 188.338,942 208.072,943 144.163,945 5.569,946 188.338,947 25.897,948 75.067,949 34.416,950 211.286,951 188.338,952 208.072,953 144.163,955 0.597,956 0.339,957 0.163,958 0.097,959 22,960 12,961 0.132,962 7,964 1,965 3.97,966 278.169,968 18,969 149.58,973 1,974 23.061,975 9.258,976 5.553,978 208.072,979 6.1,980 20.83,984 2.599,986 67.313,987 540.573,988 44,991 -3.775,993 24.285,999 52.6,1000 58.468,1001 0.346,1002 0.721,1003 0.879,1004 0.893,1005 0.893,1006 0.893,1007 5.066,1008 1.764,1009 5.979,1010 5.244,1011 4.575,1012 5.159,1013 1.138,1014 6.828,1015 4.441,1016 6.331,1017 1.53,1018 7.579,1019 4.963,1020 4.443,1021 5.301,1023 7.989,1024 4.285,1025 7.691,1026 1.275,1027 9.284,1028 3.981,1029 6.263,1030 7.477,1031 0.787,1032 10.988,1033 6.045,1034 9.088,1035 1.058,1036 11.051,1037 3.074,1038 6.868,1039 8.346,1041 12.938,1042 6.645,1043 10.514,1044 0.629,1045 12.859,1046 2.927,1047 8.258,1048 10.097,1049 0.602,1050 15.546,1051 7.991,1052 11.961,1053 0.311,1054 14.698,1055 1.243,1056 9.182,1057 11.283,1059 17.811,1060 8.915,1061 13.426,1062 0.009,1063 16.559,1064 0.633,1065 10.423,1066 12.874,1067 0.471,1068 20.309,1069 10.128,1070 3.361,1071 -0.347,1072 18.44,1073 0.021,1074 11.488,1075 14.212,1077 22.698,1078 11.192,1079 3.091,1080 12.081,1081 20.335,1082 -0.891,1083 12.681,1084 15.738,1085 0.367,1086 25.169,1087 12.365,1088 2.809,1089 10.399,1090 22.243,1091 4.565,1092 13.81,1093 17.15,1095 27.608,1096 13.49,1097 2.613,1098 8.711,1099 24.161,1100 4.146,1101 14.99,1102 18.652,1103 0.283,1104 30.077,1105 14.657,1106 2.306,1107 7.551,1108 26.088,1109 3.859,1110 16.149,1111 20.104,1113 32.538,1114 15.809,1115 2.14,1116 6.792,1117 28.022,1118 3.623,1119 17.329,1120 21.598,1121 0.217,1122 35.011,1123 16.979,1124 1.879,1125 6.312,1126 29.962,1127 2.946,1128 18.504,1129 23.071,1131 37.482,1132 18.146,1133 11397,1134 22254,1135 20.69,1136 34.489,1137 49.75,1138 50.885,1139 52.267,1140 49.457,1141 49.55,1142 65.833,1143 3.32,1144 147.865,1145 45.898,1146 5.634,1147 5.444,1148 6.776,1149 5.445,1150 5.361,1151 7.565,1152 1.72,1153 19.067,1154 5.255,1155 20.958,1156 1.508,1157 1.542,1158 1.584,1159 1.499,1160 1.502,1161 1.995,1162 0.101,1163 4.481,1164 1.391,1165 4.041,1166 4.061,1167 4.722,1168 3.938,1169 7.717,1170 3.9,1171 3.949,1172 3.965,1173 4,1174 3.822,1175 6.999,1176 3.8,1177 3.786,1178 3.819,1179 3.908,1180 3.666,1181 5.26,1182 3.629,1183 3.701,1184 3.745,1185 3.678,1186 3.496,1187 5.049,1188 3.531,1189 3.278,1190 3.346,1191 3.364,1192 3.029,1193 4.934,1194 3.04,1195 3.236,1196 3.302,1197 3.099,1198 2.995,1199 4.692,1200 2.975,1201 3.167,1202 3.273,1203 3.078,1204 2.912,1205 4.497,1206 2.915,1207 2.994,1208 3.054,1209 2.989,1210 2.82,1211 4.318,1212 2.806,1213 0.145,1214 0.104,1215 0.219,1216 0.132,1217 0.102,1218 4.792,1219 0.138,1220 3.444,1221 0.026,1222 7.229,1223 0.366,1224 4.345,1225 0.1,1226 3.361,1227 4.565,1228 0.86,1229 12.081,1230 3.309,1231 1.904,1232 1.875,1233 1.955,1234 2.063,1235 1.049,1236 2.045,1237 1.819,1238 1.803,1239 1.85,1240 1.984,1241 0.985,1242 1.987,1243 1.645,1244 1.635,1245 1.76,1246 1.868,1247 0.878,1248 1.863,1249 1.605,1250 1.553,1251 1.748,1252 1.81,1253 0.765,1254 1.8,1255 1.21,1256 1.141,1257 1.557,1258 1.513,1259 0.573,1260 1.527,1261 1.156,1262 1.094,1263 1.428,1264 1.442,1265 0.469,1266 1.463,1267 1.125,1268 1.028,1269 1.417,1270 1.419,1271 0.414,1272 1.45,1273 0.934,1274 0.865,1275 1.187,1276 1.239,1277 0.298,1278 1.308,1279 4.205,1281 5.557,1283 7.091,1285 8.707,1287 10.364,1289 5.977,1290 6.054,1293 5.762,1296 5.432,1297 5.25,1300 1.014,1305 33.512,1306 100.084,1307 208.665,1308 254.274,1309 258.274,1310 258.274,1311 258.274,1312 70.692,1313 7.498,1314 161.14,1315 169.52,1316 18,1317 12.627,1318 4.392,1319 3.585,1320 57.931,1321 125,1322 112,1323 0.226,1324 217.915,1325 368.21,1326 523.472,1327 18002,1328 2,1329 22.759,1330 0.734,1331 0.602,1332 23.509,1333 18.653,1334 14.585,1335 0.442,1336 0.32,1337 8.673,1338 12.638,1339 8.197,1340 6.898,1341 15.694,1342 10.56,1343 14.188,1344 0.296,1345 0.18,1346 15.944,1347 8.655,1348 11.013,1349 0.187,1350 0.096,1351 12.569,1352 5.666,1353 8.309,1354 0.114,1355 0.044,1356 9.147,1357 3.228,1358 6.975,1359 0.073,1360 0.024,1361 8.024,1362 2.31,1363 0.351,1364 104.942,1365 0.22,1366 28.767,1367 0.632,1368 162,1369 592.119,1370 239.331,1371 617.81,1372 823.97,1373 568,1374 188,1375 559.567,1376 267.015,1377 614.178,1378 887.84,1379 568,1380 8.032}
{0 CHEMBL2206905,1 1.962,2 12,3 1.128,4 1.272,5 124.908,6 9.072,7 0.486,8 4.171,9 4.28,10 4.011,11 3.622,12 5.33,13 3.641,14 4.708,15 4.87,16 4.334,17 3.979,18 6.072,19 3.985,20 4.869,21 5.038,22 4.413,23 4.152,24 6.069,25 4.121,26 4.953,27 5.131,28 4.438,29 4.174,30 6.196,31 4.124,32 4.991,33 5.191,34 4.445,35 4.113,36 6.398,37 4.111,38 4.838,39 5.015,40 4.331,41 4.133,42 6.062,43 4.098,44 4.962,45 5.173,46 4.33,47 4.132,48 6.148,49 4.09,50 4.872,51 5.061,52 4.282,53 4.07,54 6.09,55 4.001,56 0.26,57 0.923,58 11.273,59 4.302,60 25.864,61 4.967,62 0.926,63 1.343,64 22.623,65 7.473,66 78.983,67 8.731,68 0.917,69 1.562,70 29.915,71 9.231,72 69.34,73 10.258,74 0.967,75 1.581,76 41.33,77 11.166,78 104.033,79 12.498,80 1.517,81 1.541,82 34.672,83 8.631,84 155.231,85 11.266,86 0.706,87 1.518,88 25.901,89 9.604,90 50.371,91 12.085,92 1.087,93 1.507,94 35.383,95 8.712,96 93.283,97 11.355,98 1.059,99 1.354,100 32.878,101 9.76,102 74.769,103 11.798,104 38,105 53,106 0.32,107 0.677,108 0.838,109 0.85,110 0.85,111 0.85,112 3.561,113 0.963,114 -2.84,115 -2.85,116 -2.76,119 33.9,120 1,124 1,125 4,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 6,175 7,177 2,178 6,180 3,186 2,187 5,190 2,192 2,195 1,198 2,199 6,201 1,202 3,203 1,204 2,207 2,209 2,211 8,212 5,215 2,217 2,220 2,222 1,223 1,224 4,226 1,227 6,228 1,229 2,231 1,236 3,237 4,239 1,240 1,242 1,245 1,249 5,250 5,253 2,255 1,258 2,260 1,262 1,263 6,265 1,266 3,275 2040,276 22.513,277 22.513,278 22.513,279 22.513,280 22.513,281 19.959,282 32.284,283 13.12,284 23.467,285 18.225,286 18.225,287 18.225,288 18.225,289 18.225,290 14.224,291 45.945,292 6.207,293 19.725,294 3.845,295 1.659,296 0.67,297 0.598,298 0.598,299 0.598,300 4.251,302 1,306 871,307 3.742,311 458.905,318 1.765,319 50.795,322 0.5,323 0.67,324 0.67,325 0.6,327 0.5,328 0.5,329 0.49,330 76.833,331 408,332 4.81,333 3.49,334 7.311,335 4.379,336 3.397,337 4.573,338 0.86,339 12.526,340 3.337,341 4.452,342 3.187,343 6.547,344 4.047,345 3.091,346 4.146,347 0.86,348 10.399,349 2.955,350 4.207,351 3.107,352 6.07,353 3.745,354 2.818,355 3.86,356 0.4,357 8.762,358 2.607,359 4.015,360 2.793,361 5.577,362 3.531,363 2.613,364 3.624,365 0.4,366 7.555,367 2.393,368 3.614,369 2.668,370 5.306,371 3.231,372 2.309,373 2.946,375 6.801,376 2.112,377 3.471,378 2.454,379 5.172,380 3.08,381 2.146,382 2.781,384 6.318,385 1.989,386 3.232,387 2.365,388 4.916,389 2.928,390 2.015,391 2.481,393 5.372,394 1.828,395 3.155,396 2.085,397 4.838,398 2.796,399 1.879,400 2.394,402 5.22,403 1.721,404 3.124,405 1.915,406 4.618,407 2.686,408 1.762,409 2.143,411 4.963,412 1.619,413 2.837,414 1.836,415 4.178,416 2.339,417 1.453,418 1.956,420 3.775,421 1.245,422 2.55,423 1.569,424 3.947,425 2.041,426 1.169,427 1.575,428 2.928,429 1.011,430 2.255,431 1.256,432 3.62,433 2,434 1.058,435 1.231,436 2.73,437 0.994,438 2,439 1.139,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.81,448 1.066,449 3.142,450 1.489,451 0.629,452 0.713,454 1.244,455 0.533,456 1.552,457 0.764,458 3.111,459 1.149,460 0.313,461 0.371,463 0.64,464 0.237,465 15.981,466 0.47,467 1.012,468 0.03,469 47.25,470 1.39,471 23,472 0.676,473 24.25,474 0.713,475 28.656,476 0.843,477 38.019,478 0.679,479 40.473,480 1.19,481 9.255,482 0.272,483 6.991,484 0.206,485 0.174,486 0.052,487 0.307,493 0.807,494 1.752,495 0.678,496 1.346,497 0.784,498 0.962,499 0.894,500 0.962,501 0.73,502 0.793,503 0.572,504 0.757,505 1.16,506 1.157,507 1.092,508 1.048,509 1.016,510 0.941,511 1.112,512 1.208,513 1.2,514 1.31,515 1.495,516 1.122,517 0.957,518 0.813,519 0.75,520 0.68,521 1.403,522 0.779,523 0.671,524 1.258,525 0.844,526 1.122,527 0.564,528 1.089,529 1.152,530 0.917,531 1.148,532 0.85,533 0.987,534 0.967,535 1.044,536 1.02,537 1.189,538 1.043,539 0.723,540 1.132,541 9,542 0.305,543 4,544 2.75,545 2.289,546 1.424,547 0.875,548 0.734,549 0.48,550 0.382,551 15961,552 55752,553 2.035,554 39.3,556 13,558 2,559 4,560 3,564 1.764,565 1.88,566 3.55,567 1.721,573 109.864,574 1.962,575 4.148,576 5.138,577 5.209,578 5.209,579 5.209,580 2.938,581 4.455,582 5.061,583 3.739,584 2097.79,585 8.895,586 31906,591 325.212,592 1.611,593 4.999,594 0.243,595 0.009,596 0.075,597 0.05,598 0.043,599 0.026,600 0.016,601 0.015,602 0.011,603 0.01,604 0.499,605 0.17,606 0.75,607 0.741,608 181.346,609 -0.07,610 -0.444,611 0.134,612 -0.221,613 -0.185,614 -0.033,615 0.135,616 0.153,617 0.102,618 0.166,619 0.278,620 0.142,621 -0.207,622 -0.019,623 -0.111,624 0.039,625 -0.122,626 -0.004,627 -0.144,628 -0.138,629 -0.102,630 -0.177,631 -0.19,632 -0.133,633 0.155,634 0.162,635 0.106,636 0.168,637 0.03,638 0.131,639 0.081,640 -0.166,641 -0.008,642 -0.152,643 0.075,644 -0.105,645 -0.219,646 0.091,647 -0.142,648 0.032,649 -0.176,650 -0.032,651 -0.037,652 -0.041,653 -0.108,654 -0.057,655 0.01,656 -0.146,657 4.757,658 5.742,659 0.706,660 34.235,661 1.032,662 1.145,663 1.612,664 2.599,665 0.673,666 3.638,667 3.989,668 4.22,669 4.477,670 4.727,671 4.771,672 4.868,673 4.984,674 5.069,675 5.147,676 7.324,677 0.656,678 508.02,679 3.638,680 5.198,681 6.043,682 6.932,683 7.796,684 8.688,685 9.56,686 10.453,687 11.328,688 12.221,689 16.1,692 1,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,729 1,730 1,731 56,733 20,735 37,737 59,738 19,739 13,746 4,747 4,748 1,752 1,761 13,762 6,766 2,769 1,771 2,781 22,782 13,783 4,784 15,785 2,790 9,794 1,795 4,805 2,812 4,839 1,840 4,842 1,844 2,845 1,848 34,849 1,852 1,854 4,855 2,856 2,859 1,869 1,870 7.1,873 2,874 1,875 1,877 18.083,878 10.593,879 7.375,880 2.983,881 3.617,882 1.458,883 0.983,884 7.424,885 11.52,886 3.892,887 4.527,888 5.006,889 5.563,890 6.122,891 6.351,892 6.701,893 7.127,894 7.469,895 7.785,896 0.875,897 55,898 12.793,900 5.696,901 8.001,902 23.201,904 18.609,905 2.501,906 85.028,910 211.88,911 101.618,912 152.759,913 39.149,914 66.313,916 5.569,917 96.049,918 317.341,919 152.759,920 19.708,921 13.396,922 57.419,923 179.188,924 67.222,925 46.447,926 188.338,928 211.88,929 248.808,930 66.313,931 44.718,933 216.536,934 55.313,935 11,937 61.745,938 82.075,939 105.902,940 39.149,941 211.88,942 219.072,943 140.766,945 5.569,946 211.88,947 39.293,948 58.274,949 34.416,950 222.286,951 211.88,952 219.072,953 140.766,955 0.588,956 0.337,957 0.179,958 0.104,959 25,960 12,961 0.119,962 7,964 1,965 4.321,966 321.877,968 24,969 166.974,973 1,974 24.474,975 10.313,976 5.898,978 219.072,979 6.15,980 20.983,984 2.619,986 67.313,987 571.718,988 48,991 -3.84,993 25.484,999 57.811,1000 64.093,1001 0.338,1002 0.714,1003 0.885,1004 0.897,1005 0.897,1006 0.897,1007 5.15,1008 1.879,1009 6.066,1010 5.372,1011 4.673,1012 5.215,1013 1.526,1014 6.909,1015 4.532,1016 6.39,1017 1.762,1018 7.652,1019 5.22,1020 4.443,1021 5.301,1023 8.038,1024 4.285,1025 7.739,1026 1.453,1027 9.346,1028 4.963,1029 6.34,1030 7.501,1031 1.191,1032 11.078,1033 6.111,1034 9.125,1035 1.169,1036 11.107,1037 3.775,1038 6.889,1039 8.351,1041 13.045,1042 6.663,1043 10.545,1044 1.058,1045 12.914,1046 2.928,1047 8.321,1048 10.108,1049 0.969,1050 15.688,1051 8.043,1052 11.988,1053 1,1054 14.754,1055 2.73,1056 9.221,1057 11.291,1059 17.989,1060 8.951,1061 13.451,1062 0.629,1063 16.621,1064 2.136,1065 10.485,1066 12.883,1067 0.788,1068 20.524,1069 10.18,1070 3.397,1071 0.313,1072 18.508,1073 1.244,1074 11.547,1075 14.222,1077 22.954,1078 11.243,1079 3.091,1080 12.526,1081 20.412,1082 0.64,1083 12.754,1084 15.75,1085 0.634,1086 25.464,1087 12.428,1088 2.818,1089 10.399,1090 22.329,1091 4.573,1092 13.888,1093 17.164,1095 27.944,1096 13.559,1097 2.613,1098 8.762,1099 24.258,1100 4.146,1101 15.08,1102 18.667,1103 0.504,1104 30.453,1105 14.735,1106 2.309,1107 7.555,1108 26.197,1109 3.86,1110 16.249,1111 20.121,1113 32.955,1114 15.897,1115 2.146,1116 6.801,1117 28.143,1118 3.624,1119 17.441,1120 21.617,1121 0.395,1122 35.469,1123 17.076,1124 2.015,1125 6.318,1126 30.095,1127 2.946,1128 18.626,1129 23.092,1131 37.981,1132 18.252,1133 15358,1134 28938,1135 24.156,1136 37.705,1137 55.246,1138 56.979,1139 57.255,1140 55.238,1141 55.335,1142 71.619,1143 5.04,1144 162.795,1145 51.073,1146 5.81,1147 5.49,1148 7.113,1149 5.483,1150 5.397,1151 7.573,1152 1.72,1153 19.912,1154 5.283,1155 19.085,1156 1.493,1157 1.54,1158 1.547,1159 1.493,1160 1.496,1161 1.936,1162 0.136,1163 4.4,1164 1.38,1165 4.056,1166 4.071,1167 4.725,1168 3.952,1169 7.717,1170 3.907,1171 3.957,1172 3.98,1173 4,1174 3.825,1175 6.999,1176 3.811,1177 3.81,1178 3.852,1179 3.909,1180 3.68,1181 5.261,1182 3.668,1183 3.705,1184 3.757,1185 3.678,1186 3.496,1187 5.05,1188 3.533,1189 3.543,1190 3.539,1191 3.52,1192 3.352,1193 4.934,1194 3.318,1195 3.267,1196 3.328,1197 3.363,1198 3.016,1199 4.692,1200 3.03,1201 3.167,1202 3.275,1203 3.08,1204 2.941,1205 4.61,1206 2.921,1207 3.111,1208 3.206,1209 2.989,1210 2.916,1211 4.497,1212 2.91,1213 0.13,1214 0.094,1215 0.198,1216 0.118,1217 0.092,1218 4.81,1219 0.124,1220 3.49,1221 0.023,1222 7.311,1223 0.339,1224 4.379,1225 0.09,1226 3.397,1227 4.573,1228 0.86,1229 12.526,1230 3.337,1231 1.906,1232 1.879,1233 1.955,1234 2.066,1235 1.232,1236 2.057,1237 1.833,1238 1.817,1239 1.902,1240 2.015,1241 1.034,1242 2.011,1243 1.724,1244 1.692,1245 1.843,1246 1.92,1247 0.936,1248 1.903,1249 1.612,1250 1.554,1251 1.754,1252 1.835,1253 0.825,1254 1.811,1255 1.358,1256 1.374,1257 1.558,1258 1.59,1259 0.766,1260 1.615,1261 1.2,1262 1.132,1263 1.513,1264 1.497,1265 0.579,1266 1.516,1267 1.153,1268 1.064,1269 1.428,1270 1.44,1271 0.553,1272 1.455,1273 1.128,1274 1.029,1275 1.212,1276 1.376,1277 0.3,1278 1.429,1279 4.317,1281 5.659,1283 7.192,1285 8.81,1287 10.472,1289 3.203,1290 6.164,1293 5.791,1295 1.126,1296 5.577,1297 10.49,1300 1.281,1305 36.754,1306 109.864,1307 232.299,1308 287.702,1309 291.702,1310 291.702,1311 291.702,1312 74.669,1313 7.903,1314 170.37,1315 178.75,1316 24,1317 12.751,1318 4.392,1319 3.585,1320 56.713,1321 151,1322 148,1323 0.183,1324 233.702,1325 399.24,1326 561.993,1327 31844,1328 1.8,1329 24.294,1330 0.715,1331 0.585,1332 25.044,1333 19.89,1334 16.246,1335 0.439,1336 0.321,1337 9.957,1338 14.226,1339 9.589,1340 7.915,1341 17.356,1342 11.875,1343 15.369,1344 0.29,1345 0.173,1346 17.04,1347 9.17,1348 12.16,1349 0.181,1350 0.098,1351 13.631,1352 6.578,1353 10.124,1354 0.116,1355 0.052,1356 11.421,1357 4.564,1358 8.314,1359 0.074,1360 0.028,1361 9.725,1362 3.087,1363 0.286,1364 115.743,1365 0.203,1366 31.237,1367 0.503,1368 180,1369 653.855,1370 260.876,1371 667.781,1372 893.05,1373 618,1374 210,1375 605.907,1376 295.791,1377 654.884,1378 955.42,1379 610,1380 7.886}
{0 CHEMBL2206906,1 1.968,2 11.5,3 1.194,4 1.425,5 118.282,6 9.075,7 0.529,8 4.101,9 4.207,10 3.938,11 3.567,12 5.289,13 3.573,14 4.61,15 4.766,16 4.203,17 3.872,18 6.021,19 3.883,20 4.748,21 4.914,22 4.232,23 3.986,24 6.023,25 3.979,26 4.749,27 4.936,28 4.296,29 4.049,30 5.934,31 3.997,32 4.845,33 5.029,34 4.361,35 4.059,36 6.202,37 4.046,38 4.836,39 5.029,40 4.215,41 4.056,42 6.065,43 4.018,44 4.829,45 5.036,46 4.183,47 3.997,48 6.033,49 3.97,50 4.81,51 5.018,52 4.203,53 4.001,54 6.007,55 3.94,56 0.244,57 0.85,58 10.518,59 4.339,60 24.842,61 4.793,62 0.807,63 1.191,64 23.703,65 7.338,66 80.024,67 8.328,68 0.992,69 1.323,70 22.588,71 6.993,72 83.797,73 8.057,74 0.646,75 1.37,76 30.43,77 9.146,78 53.187,79 11.247,80 1.035,81 1.432,82 27.213,83 8.005,84 96.942,85 10.314,86 0.851,87 1.438,88 30.854,89 9.231,90 64.292,91 11.729,92 0.887,93 1.406,94 25.212,95 7.315,96 75.895,97 9.677,98 0.967,99 1.306,100 27.516,101 8.891,102 72.319,103 11.27,104 60,105 48,106 0.326,107 0.68,108 0.853,109 0.878,110 0.878,111 0.878,112 3.502,113 1.008,114 -2.11,115 -2.15,116 -2.14,119 34,120 1,124 2,125 2,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 4,175 7,177 2,178 5,180 3,186 2,187 5,190 2,192 2,195 1,198 2,199 5,201 1,202 3,203 1,204 2,207 2,209 2,211 5,212 5,215 1,217 2,220 2,222 1,223 2,224 5,226 1,227 5,228 1,229 2,231 1,236 3,237 3,239 1,240 1,242 1,245 1,249 5,250 3,253 3,255 1,258 2,260 1,262 1,263 5,265 1,266 2,275 1964,276 20.781,277 20.781,278 20.781,279 20.781,280 20.781,281 18.166,282 27.114,283 12.366,284 21.753,285 16.813,286 16.813,287 16.813,288 16.813,289 16.813,290 12.796,291 36.023,292 5.944,293 18.388,294 3.76,295 1.617,296 0.571,297 0.42,298 0.42,299 0.42,300 4.18,302 1,305 1,306 758,307 4.062,311 327.581,318 1.813,319 45.932,322 0.75,323 0.67,324 0.67,325 0.7,327 0.67,328 0.5,329 0.56,330 72.333,331 368,332 4.654,333 4.312,334 6.548,335 4.102,336 3.168,337 4.449,338 0.86,339 10.408,340 2.962,341 4.452,342 3.203,343 6.501,344 4.042,345 3.088,346 4.146,347 0.86,348 10.319,349 2.923,350 4.192,351 3.13,352 5.963,353 3.692,354 2.768,355 3.851,356 0.4,357 8.503,358 2.553,359 4.016,360 2.822,361 5.576,362 3.529,363 2.613,364 3.624,366 7.551,367 2.391,368 3.624,369 2.7,370 5.318,371 3.242,372 2.328,373 2.953,375 6.868,376 2.113,377 3.473,378 2.386,379 5.182,380 3.072,381 2.146,382 2.782,384 6.365,385 1.963,386 3.232,387 2.175,388 4.842,389 2.796,390 1.879,391 2.481,393 5.247,394 1.722,395 3.155,396 2.085,397 4.618,398 2.696,399 1.775,400 2.396,402 4.963,403 1.627,404 2.841,405 1.909,406 4.195,407 2.483,408 1.592,409 1.972,411 3.808,412 1.405,413 2.639,414 1.788,415 3.951,416 2.328,417 1.438,418 1.642,420 3.129,421 1.236,422 2.55,423 1.39,424 3.618,425 2,426 1.058,427 1.575,428 2.907,429 0.994,430 1.874,431 1.068,432 3.156,433 1.62,434 0.784,435 0.832,436 1.462,437 0.65,438 1.621,439 0.822,440 3.123,441 1.248,442 0.392,443 0.464,445 0.886,446 0.311,447 1.365,448 0.691,449 2.844,450 1.017,451 0.126,452 0.148,454 0.305,455 0.106,456 1,457 0.433,458 2.7,459 0.663,460 -0.246,461 -0.277,463 -0.52,464 -0.22,465 15.081,466 0.471,467 1.031,468 0.032,469 45.25,470 1.414,471 23,472 0.719,473 22.25,474 0.695,475 25.891,476 0.809,477 35.919,478 0.678,479 37.925,480 1.185,481 8.889,482 0.278,483 6.252,484 0.195,485 0.218,486 0.055,487 0.298,493 0.81,494 1.662,495 0.701,496 1.299,497 0.814,498 0.957,499 0.95,500 1.076,501 0.868,502 0.997,503 0.584,504 0.797,505 1.357,506 1.004,507 0.891,508 0.688,509 1.369,510 0.861,511 0.704,512 1.137,513 0.882,514 1.084,515 0.631,516 1.025,517 0.847,518 1.062,519 0.746,520 0.862,521 0.825,522 0.917,523 0.817,524 1.118,525 1.01,526 1.07,527 0.628,528 1.052,529 1.017,530 1.034,531 0.808,532 0.845,533 0.912,534 0.99,535 0.871,536 0.903,537 0.775,538 0.768,539 0.623,540 0.899,541 9,542 0.347,543 2.889,544 2.313,545 2.12,546 1.181,547 0.851,548 0.707,549 0.513,550 0.422,551 12584,552 48105,553 1.968,554 39.6,556 12,558 2,559 4,560 3,564 1.751,565 1.803,566 3.473,567 1.756,569 1,573 104.282,574 1.968,575 4.111,576 5.157,577 5.308,578 5.308,579 5.308,580 2.957,581 4.39,582 4.967,583 3.67,584 1820.5,585 8.728,586 26726.3,591 303.58,592 1.663,593 4.899,594 0.265,595 0.011,596 0.06,597 0.049,598 0.044,599 0.023,600 0.017,601 0.016,602 0.012,603 0.011,604 0.508,605 0.17,606 0.75,607 1.448,608 167.393,609 -0.077,610 -0.357,611 0.121,612 -0.162,613 -0.212,614 -0.02,615 0.087,616 0.031,617 0.026,618 0.029,619 0.299,620 0.129,621 -0.273,622 0.07,623 -0.114,624 0.17,625 -0.298,626 0.008,627 0.033,628 -0.053,629 0.07,630 -0.071,631 0.024,632 -0.024,633 0.088,634 -0.013,635 0.072,636 0.011,637 0.084,638 0.005,639 0.016,640 -0.075,641 -0.107,642 -0.131,643 0.036,644 -0.08,645 -0.151,646 0.028,647 -0.074,648 -0.018,649 -0.145,650 -0.088,651 0.053,652 0.084,653 0.087,654 0.157,655 0.067,656 0.076,657 4.469,658 4.584,659 0.563,660 34.75,661 1.032,662 1.143,663 0.878,664 0.771,665 0.674,666 3.555,667 3.892,668 4.043,669 4.331,670 4.585,671 4.654,672 4.762,673 4.927,674 5.011,675 5.069,676 7.025,677 0.655,678 480.99,679 3.555,680 5.106,681 5.922,682 6.808,683 7.649,684 8.54,685 9.394,686 10.286,687 11.148,688 12.04,689 15.1,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,729 1,730 1,731 53,733 20,735 34,737 55,738 18,739 13,746 3,747 3,748 1,752 1,761 13,762 5,766 2,769 1,771 2,781 21,782 12,783 4,784 14,785 2,790 8,794 1,795 4,805 2,812 3,839 1,840 3,842 1,844 3,845 1,848 32,849 1,852 1,854 2,855 2,856 2,869 1,870 7.5,873 2,874 1,875 1,877 17.75,878 10.393,879 6.958,880 2.666,881 3.519,882 1.467,883 0.962,884 7.766,885 11.047,886 3.829,887 4.472,888 4.9,889 5.504,890 6.083,891 6.323,892 6.687,893 7.132,894 7.473,895 7.79,896 0.875,897 47,898 11.926,900 5.151,901 8.063,902 21.568,904 16.787,905 2.563,906 82.028,910 200.109,911 104.835,912 151.241,913 39.149,914 66.313,916 5.807,917 99.028,918 305.57,919 151.241,920 26.899,921 9.185,922 57.657,923 179.188,924 65.704,925 46.447,926 176.567,928 200.109,929 250.268,930 66.313,931 44.956,933 204.765,934 55.313,935 11,937 56.015,938 89.265,939 106.14,940 39.149,941 200.109,942 217.553,943 143.984,945 5.807,946 200.109,947 35.082,948 63.946,949 34.416,950 222.286,951 200.109,952 217.553,953 143.984,955 0.582,956 0.302,957 0.165,958 0.1,959 21,960 11,961 0.164,962 9,964 1,965 4.133,966 285.406,968 18,969 158,973 1,974 24.04,975 10.338,976 6.945,978 217.553,979 6.116,980 20.917,984 2.576,986 67.313,987 561.646,988 45,991 -3.552,993 23.167,999 54.709,1000 60.594,1001 0.344,1002 0.718,1003 0.9,1004 0.927,1005 0.927,1006 0.927,1007 5.072,1008 1.775,1009 5.948,1010 5.247,1011 4.575,1012 5.159,1013 1.454,1014 6.758,1015 4.411,1016 6.322,1017 1.592,1018 7.509,1019 4.963,1020 4.369,1021 5.27,1023 7.796,1024 4.132,1025 7.67,1026 1.438,1027 9.171,1028 3.808,1029 6.217,1030 7.455,1031 1.175,1032 10.767,1033 5.92,1034 9.051,1035 1.058,1036 10.889,1037 3.129,1038 6.735,1039 8.288,1041 12.547,1042 6.366,1043 10.461,1044 0.784,1045 12.641,1046 2.907,1047 8.136,1048 10.041,1049 0.966,1050 15.103,1051 7.715,1052 11.89,1053 0.392,1054 14.418,1055 1.462,1056 8.98,1057 11.192,1059 17.194,1060 8.491,1061 13.335,1062 0.126,1063 16.212,1064 0.886,1065 10.21,1066 12.779,1067 0.788,1068 19.606,1069 9.667,1070 3.168,1071 -0.246,1072 18.02,1073 0.305,1074 11.206,1075 14.082,1077 21.834,1078 10.599,1079 3.088,1080 10.408,1081 19.838,1082 -0.52,1083 12.369,1084 15.597,1085 0.634,1086 24.193,1087 11.707,1088 2.768,1089 10.319,1090 21.664,1091 4.449,1092 13.436,1093 16.977,1095 26.481,1096 12.712,1097 2.613,1098 8.503,1099 23.498,1100 4.146,1101 14.575,1102 18.462,1103 0.504,1104 28.822,1105 13.794,1106 2.328,1107 7.551,1108 25.338,1109 3.851,1110 15.677,1111 19.882,1113 31.136,1114 14.834,1115 2.146,1116 6.868,1117 27.182,1118 3.624,1119 16.809,1120 21.355,1121 0.395,1122 33.472,1123 15.908,1124 1.879,1125 6.365,1126 29.031,1127 2.953,1128 17.927,1129 22.798,1131 35.798,1132 16.965,1133 12628,1134 24914,1135 21.671,1136 35.699,1137 50.319,1138 52.799,1139 51.812,1140 50.285,1141 50.31,1142 66.631,1143 4.24,1144 145.441,1145 45.909,1146 5.498,1147 6.312,1148 6.458,1149 5.202,1150 5.168,1151 7.449,1152 1.72,1153 17.301,1154 4.908,1155 20.302,1156 1.48,1157 1.553,1158 1.524,1159 1.479,1160 1.48,1161 1.96,1162 0.125,1163 4.278,1164 1.35,1165 4.036,1166 4.057,1167 4.717,1168 3.964,1169 7.718,1170 3.903,1171 3.947,1172 3.956,1173 4.001,1174 3.83,1175 6.999,1176 3.807,1177 3.776,1178 3.801,1179 3.909,1180 3.673,1181 5.26,1182 3.631,1183 3.708,1184 3.737,1185 3.683,1186 3.5,1187 5.049,1188 3.536,1189 3.538,1190 3.584,1191 3.421,1192 3.293,1193 4.929,1194 3.307,1195 3.178,1196 3.278,1197 3.327,1198 2.955,1199 4.698,1200 2.96,1201 3.153,1202 3.227,1203 2.999,1204 2.907,1205 4.635,1206 2.916,1207 3.025,1208 3.102,1209 2.965,1210 2.818,1211 4.422,1212 2.808,1213 0.137,1214 0.127,1215 0.193,1216 0.121,1217 0.093,1218 4.654,1219 0.131,1220 4.312,1221 0.025,1222 6.548,1223 0.306,1224 4.102,1225 0.087,1226 3.168,1227 4.449,1228 0.86,1229 10.408,1230 2.962,1231 1.906,1232 1.88,1233 1.957,1234 2.064,1235 1.063,1236 2.045,1237 1.824,1238 1.815,1239 1.852,1240 1.975,1241 1.016,1242 1.983,1243 1.64,1244 1.646,1245 1.781,1246 1.864,1247 0.952,1248 1.848,1249 1.608,1250 1.561,1251 1.717,1252 1.78,1253 0.855,1254 1.808,1255 1.463,1256 1.411,1257 1.601,1258 1.719,1259 0.761,1260 1.722,1261 1.148,1262 1.062,1263 1.507,1264 1.443,1265 0.558,1266 1.463,1267 1.102,1268 1.01,1269 1.43,1270 1.414,1271 0.313,1272 1.439,1273 0.979,1274 0.916,1275 1.162,1276 1.22,1277 0.232,1278 1.226,1279 4.234,1281 5.565,1283 7.067,1285 8.657,1287 10.295,1289 4.273,1290 5.999,1293 5.79,1295 0.726,1296 5.38,1297 10.634,1305 34.733,1306 104.282,1307 217.864,1308 273.315,1309 281.315,1310 281.315,1311 281.315,1312 73.593,1313 7.528,1314 167.13,1315 175.51,1316 18,1317 12.573,1318 4.392,1319 3.585,1320 60.773,1321 130,1322 162,1323 0.222,1324 224.709,1325 383.3,1326 540.05,1327 18183,1328 1.9,1329 23.303,1330 0.728,1331 0.595,1332 24.053,1333 19.029,1334 15.141,1335 0.445,1336 0.336,1337 9.119,1338 13.221,1339 8.641,1340 7.202,1341 16.357,1342 11.42,1343 14.693,1344 0.306,1345 0.18,1346 16.446,1347 8.641,1348 10.175,1349 0.182,1350 0.084,1351 10.992,1352 4.713,1353 8.759,1354 0.117,1355 0.045,1356 9.534,1357 3.347,1358 7.236,1359 0.075,1360 0.024,1361 8.23,1362 2.319,1363 0.345,1364 109.616,1365 0.215,1366 29.705,1367 0.621,1368 164,1369 618.209,1370 235.17,1371 635.828,1372 838.75,1373 586,1374 186,1375 561.598,1376 258.947,1377 607.658,1378 872.66,1379 562,1380 7.745}
{0 CHEMBL2206907,1 1.892,2 11.03,3 1.763,4 3.107,5 124.514,6 8.768,7 0.5,8 4.153,9 4.265,10 3.967,11 3.67,12 5.274,13 3.656,14 4.697,15 4.856,16 4.26,17 4.037,18 6.031,19 4.015,20 4.919,21 5.114,22 4.287,23 4.182,24 6.059,25 4.132,26 4.93,27 5.142,28 4.342,29 4.216,30 6.017,31 4.13,32 4.958,33 5.163,34 4.396,35 4.192,36 6.221,37 4.151,38 4.942,39 5.154,40 4.262,41 4.164,42 6.111,43 4.109,44 4.906,45 5.124,46 4.23,47 4.12,48 6.028,49 4.079,50 4.903,51 5.111,52 4.295,53 4.182,54 6.052,55 4.103,56 0.191,57 0.924,58 11.814,59 4.795,60 24.707,61 5.56,62 0.675,63 1.386,64 24.805,65 8.622,66 78.174,67 10.321,68 0.805,69 1.61,70 28.844,71 9.515,72 84.277,73 11.969,74 0.647,75 1.642,76 37.348,77 11.43,78 59.588,79 14.772,80 0.855,81 1.673,82 31.881,83 9.624,84 96.238,85 13.022,86 0.808,87 1.655,88 34.967,89 10.184,90 69.423,91 13.511,92 0.777,93 1.632,94 28.267,95 7.91,96 75.173,97 10.82,98 0.721,99 1.604,100 28.07,101 10.024,102 64.729,103 13.32,104 39,105 52,106 0.309,107 0.661,108 0.838,109 0.85,110 0.85,111 0.85,112 3.532,113 1.034,114 -3.28,115 -3.26,116 -3.13,119 35.7,120 1,121 2,122 1,124 1,125 2,142 2,143 2,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 5,174 4,175 9,177 2,178 5,180 3,183 5,187 6,190 2,192 2,195 4,198 2,199 10,201 1,202 3,203 1,204 3,207 4,209 2,211 3,212 7,217 3,220 2,222 1,223 2,224 10,226 1,227 5,228 1,229 5,231 1,232 2,234 1,236 2,237 3,242 2,245 3,247 1,249 4,250 6,253 3,255 4,258 6,260 3,262 1,263 7,265 1,266 1,268 1,271 1,275 2076,276 21.566,277 21.566,278 21.566,279 21.566,280 21.566,281 18.975,282 29.045,283 12.593,284 22.351,285 17.835,286 17.835,287 17.835,288 17.835,289 17.835,290 13.848,291 37.609,292 6.083,293 19.179,294 3.915,295 1.754,296 0.67,297 0.598,298 0.598,299 0.598,300 4.223,302 1,305 1,306 774,307 3.606,311 444.798,318 1.609,319 44.338,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.67,328 0.5,329 0.66,330 73.333,331 364,332 4.654,333 4.312,334 6.566,335 4.105,336 3.169,337 4.449,338 0.86,339 10.469,340 3.015,341 4.464,342 3.228,343 6.502,344 4.072,345 3.11,346 4.154,347 0.4,348 10.323,349 2.929,350 4.192,351 3.151,352 6.096,353 3.75,354 2.78,355 3.851,357 8.901,358 2.703,359 4.065,360 2.964,361 5.962,362 3.69,363 2.763,364 3.646,366 8.5,367 2.551,368 3.811,369 2.732,370 5.56,371 3.457,372 2.532,373 3.102,375 7.48,376 2.33,377 3.495,378 2.416,379 5.23,380 3.101,381 2.175,382 2.801,384 6.508,385 1.981,386 3.232,387 2.29,388 4.851,389 2.804,390 1.879,391 2.481,393 5.286,394 1.744,395 3.193,396 2.085,397 4.618,398 2.793,399 1.867,400 2.433,402 4.963,403 1.717,404 2.947,405 1.911,406 4.471,407 2.65,408 1.724,409 2.006,411 4.518,412 1.59,413 2.841,414 1.791,415 4.195,416 2.328,417 1.438,418 1.971,420 3.808,421 1.237,422 2.55,423 1.394,424 3.941,425 2.063,426 1.156,427 1.575,428 2.948,429 1.035,430 2.261,431 1.2,432 3.51,433 1.998,434 1.058,435 1.246,436 2.683,437 0.991,438 2,439 1.068,440 3.247,441 1.969,442 1,443 1,445 2.136,446 0.963,447 1.64,448 0.814,449 3.154,450 1.245,451 0.385,452 0.464,454 0.948,455 0.304,456 1.353,457 0.676,458 3.088,459 1.001,460 0.092,461 0.11,463 0.25,464 0.08,465 15.748,466 0.477,467 1.082,468 0.033,469 45.25,470 1.371,471 22.5,472 0.682,473 22.75,474 0.689,475 29.487,476 0.894,477 36.452,478 0.651,479 36.887,480 1.118,481 8.378,482 0.254,483 7.298,484 0.221,485 0.177,486 0.053,487 0.318,493 0.741,494 1.541,495 0.702,496 1.218,497 0.768,498 0.932,499 0.741,500 1.096,501 0.848,502 1.06,503 0.494,504 0.906,505 1.207,506 1.014,507 0.828,508 0.777,509 1.16,510 0.929,511 0.655,512 1.052,513 0.851,514 1.021,515 0.566,516 1.023,517 0.771,518 1.125,519 0.719,520 0.905,521 0.766,522 0.944,523 0.808,524 1.079,525 0.988,526 0.994,527 0.612,528 1.004,529 1.097,530 1.008,531 0.823,532 0.765,533 0.942,534 0.925,535 0.649,536 1.042,537 0.773,538 0.901,539 0.57,540 1.023,541 9,542 0.33,543 3.333,544 2.375,545 2.031,546 1.396,547 0.81,548 0.736,549 0.55,550 0.411,551 14200,552 48313,553 2.036,554 41.1,555 1,556 9,558 2,559 4,560 3,561 4,564 1.759,565 1.877,566 3.43,567 1.693,569 1,573 105.977,574 1.892,575 4.054,576 5.138,577 5.209,578 5.209,579 5.209,580 2.874,581 4.453,582 5.015,583 3.624,584 1913.65,585 8.824,586 28378.3,591 325.212,592 1.628,593 4.954,594 0.25,595 0.01,596 0.064,597 0.047,598 0.04,599 0.026,600 0.016,601 0.015,602 0.011,603 0.009,604 0.488,605 0.17,606 0.75,607 0.906,608 173.311,609 -0.038,610 -0.254,611 0.124,612 -0.101,613 -0.172,614 0.014,615 0.205,616 0.031,617 0.01,618 -0.036,619 0.337,620 0.039,621 -0.232,622 0.023,623 -0.058,624 0.101,625 -0.195,626 -0.001,627 0.065,628 -0.026,629 0.075,630 -0.034,631 0.044,632 -0.011,633 0.087,634 -0.09,635 0.092,636 -0.029,637 0.092,638 0.001,639 0.029,640 -0.04,641 -0.093,642 -0.083,643 0.038,644 -0.049,645 -0.24,646 0.08,647 -0.095,648 0.049,649 -0.187,650 -0.037,651 0.107,652 0.016,653 0.03,654 0.017,655 0.07,656 -0.058,657 4.454,658 4.64,659 0.727,660 33.851,661 1.023,662 1.139,663 2.045,664 4.183,665 0.679,666 3.611,667 3.97,668 4.159,669 4.454,670 4.718,671 4.787,672 4.934,673 5.124,674 5.231,675 5.347,676 6.906,677 0.653,678 491.03,679 3.611,680 5.176,681 6.009,682 6.903,683 7.756,684 8.651,685 9.514,686 10.409,687 11.279,688 12.175,689 14.3,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 1,731 56,733 20,735 36,737 59,738 20,739 13,746 4,747 4,748 1,752 1,755 2,756 1,758 2,761 13,762 7,763 1,766 2,769 1,771 2,781 23,782 11,783 4,784 13,785 2,790 8,794 1,795 3,805 2,812 4,839 1,840 4,842 1,844 2,845 1,848 33,849 1,852 1,854 4,855 2,856 1,858 1,869 1,870 5.4,873 2,874 1,877 17.583,878 10.56,879 6.986,880 3.125,881 3.36,882 1.431,883 0.987,884 6.957,885 11.149,886 3.871,887 4.516,888 4.958,889 5.557,890 6.135,891 6.396,892 6.782,893 7.238,894 7.588,895 7.942,896 1,897 51,898 12.353,900 5.477,901 7.95,902 22.826,904 18.747,905 2.45,906 80.861,910 223.651,911 96.963,912 151.241,913 39.149,914 55.313,916 5.807,917 91.156,918 318.112,919 151.241,920 16.016,921 14.254,922 57.657,923 179.188,924 52.646,925 46.447,926 200.109,928 223.651,929 242.397,930 55.313,931 44.956,933 181.222,934 91.397,935 11,937 61.084,938 76.324,939 106.14,940 39.149,941 223.651,942 206.553,943 136.112,945 5.807,946 223.651,947 38.093,948 53.063,949 34.416,950 211.286,951 223.651,952 206.553,953 136.112,955 0.592,956 0.315,957 0.174,958 0.103,959 25,960 12,961 0.102,962 6,964 1,965 4.232,966 311.199,968 24,969 160.465,973 1,974 23.582,975 9.735,976 6.063,978 206.553,979 6.79,980 21.456,984 3.718,986 67.313,987 566.316,988 47,991 -3.537,993 23.279,999 57.265,1000 63.8,1001 0.326,1002 0.698,1003 0.885,1004 0.897,1005 0.897,1006 0.897,1007 5.133,1008 1.867,1009 6.038,1010 5.286,1011 4.654,1012 5.204,1013 1.029,1014 6.862,1015 4.52,1016 6.378,1017 1.724,1018 7.607,1019 4.963,1020 4.443,1021 5.301,1023 7.901,1024 4.242,1025 7.725,1026 1.438,1027 9.276,1028 4.518,1029 6.308,1030 7.484,1031 0.763,1032 10.89,1033 6.067,1034 9.105,1035 1.156,1036 11.001,1037 3.808,1038 6.825,1039 8.313,1041 12.673,1042 6.522,1043 10.513,1044 1.058,1045 12.76,1046 2.948,1047 8.238,1048 10.064,1049 0.597,1050 15.233,1051 7.894,1052 11.941,1053 1,1054 14.543,1055 2.683,1056 9.08,1057 11.213,1059 17.321,1060 8.679,1061 13.385,1062 0.385,1063 16.342,1064 2.136,1065 10.316,1066 12.797,1067 0.47,1068 19.731,1069 9.87,1070 3.169,1071 0.092,1072 18.154,1073 0.948,1074 11.309,1075 14.1,1077 21.953,1078 10.809,1079 3.11,1080 10.469,1081 19.975,1082 0.25,1083 12.474,1084 15.612,1085 0.367,1086 24.308,1087 11.927,1088 2.78,1089 10.323,1090 21.803,1091 4.449,1092 13.539,1093 16.992,1095 26.589,1096 12.938,1097 2.763,1098 8.901,1099 23.638,1100 4.154,1101 14.677,1102 18.475,1103 0.283,1104 28.926,1105 14.028,1106 2.532,1107 8.5,1108 25.478,1109 3.851,1110 15.776,1111 19.895,1113 31.235,1114 15.074,1115 2.175,1116 7.48,1117 27.322,1118 3.646,1119 16.907,1120 21.367,1121 0.217,1122 33.568,1123 16.154,1124 1.879,1125 6.508,1126 29.169,1127 3.102,1128 18.023,1129 22.81,1131 35.891,1132 17.218,1133 13741,1134 25609,1135 23.463,1136 38.006,1137 54.229,1138 56.473,1139 55.313,1140 54.303,1141 54.26,1142 70.579,1143 2.52,1144 159.439,1145 50.341,1146 5.654,1147 6.312,1148 6.368,1149 5.205,1150 5.169,1151 7.449,1152 1.72,1153 17.363,1154 4.97,1155 18.968,1156 1.506,1157 1.569,1158 1.536,1159 1.508,1160 1.507,1161 1.961,1162 0.07,1163 4.429,1164 1.398,1165 4.05,1166 4.079,1167 4.717,1168 3.97,1169 7.718,1170 3.933,1171 3.968,1172 3.968,1173 4.01,1174 3.886,1175 6.999,1176 3.832,1177 3.801,1178 3.858,1179 3.922,1180 3.689,1181 5.259,1182 3.646,1183 3.776,1184 3.782,1185 3.734,1186 3.607,1187 5.046,1188 3.623,1189 3.617,1190 3.662,1191 3.558,1192 3.434,1193 4.872,1194 3.452,1195 3.172,1196 3.278,1197 3.336,1198 2.958,1199 4.673,1200 2.959,1201 3.111,1202 3.206,1203 2.995,1204 2.941,1205 4.593,1206 2.916,1207 3.106,1208 3.162,1209 2.932,1210 2.908,1211 4.365,1212 2.91,1213 0.129,1214 0.12,1215 0.182,1216 0.114,1217 0.088,1218 4.654,1219 0.124,1220 4.312,1221 0.024,1222 6.566,1223 0.291,1224 4.105,1225 0.084,1226 3.169,1227 4.449,1228 0.86,1229 10.469,1230 3.015,1231 1.952,1232 1.92,1233 2.067,1234 2.089,1235 1.399,1236 2.08,1237 1.85,1238 1.842,1239 1.904,1240 1.987,1241 1.052,1242 2.008,1243 1.729,1244 1.687,1245 1.835,1246 1.946,1247 0.972,1248 1.928,1249 1.637,1250 1.641,1251 1.721,1252 1.808,1253 0.856,1254 1.836,1255 1.547,1256 1.496,1257 1.601,1258 1.728,1259 0.825,1260 1.735,1261 1.153,1262 1.064,1263 1.513,1264 1.442,1265 0.765,1266 1.46,1267 1.146,1268 1.056,1269 1.435,1270 1.376,1271 0.469,1272 1.429,1273 1.026,1274 0.968,1275 1.235,1276 1.275,1277 0.243,1278 1.27,1279 4.29,1281 5.638,1283 7.163,1285 8.769,1287 10.418,1289 2.766,1290 6.042,1293 5.866,1295 3.191,1296 5.505,1297 5.477,1299 0.307,1305 36.545,1306 105.977,1307 226.999,1308 287.702,1309 291.702,1310 291.702,1311 291.702,1312 69.396,1313 7.789,1314 157.9,1315 166.28,1316 24,1317 12.705,1318 4.392,1319 3.585,1320 53.943,1321 132,1322 132,1323 0.192,1324 232.504,1325 396.75,1326 559.07,1327 24551,1328 1.8,1329 23.587,1330 0.715,1331 0.594,1332 24.337,1333 19.612,1334 15.676,1335 0.435,1336 0.345,1337 10.153,1338 13.909,1339 9.694,1340 8.011,1341 16.891,1342 12.413,1343 15.49,1344 0.298,1345 0.188,1346 17.243,1347 9.784,1348 11.207,1349 0.178,1350 0.094,1351 12.025,1352 5.896,1353 9.791,1354 0.115,1355 0.051,1356 10.566,1357 4.314,1358 8.178,1359 0.074,1360 0.027,1361 9.173,1362 3.048,1363 0.298,1364 111.708,1365 0.206,1366 30.299,1367 0.543,1368 176,1369 586.474,1370 244.292,1371 613.908,1372 817.81,1373 566,1374 203,1375 555.053,1376 273.124,1377 601.975,1378 869.45,1379 560,1380 8.699}
{0 CHEMBL2206908,1 1.897,2 11.618,3 1.102,4 1.215,5 128.392,6 8.725,7 0.486,8 4.19,9 4.307,10 3.997,11 3.677,12 5.309,13 3.67,14 4.734,15 4.906,16 4.284,17 4.029,18 6.059,19 4.019,20 4.929,21 5.122,22 4.3,23 4.174,24 6.08,25 4.13,26 4.963,27 5.192,28 4.344,29 4.216,30 6.02,31 4.128,32 4.965,33 5.166,34 4.408,35 4.207,36 6.221,37 4.165,38 4.982,39 5.199,40 4.284,41 4.206,42 6.143,43 4.143,44 4.972,45 5.201,46 4.255,47 4.146,48 6.067,49 4.096,50 4.89,51 5.096,52 4.304,53 4.143,54 6.049,55 4.079,56 0.206,57 0.963,58 12.345,59 4.744,60 24.341,61 5.677,62 0.754,63 1.418,64 26.367,65 8.128,66 77.135,67 10.018,68 0.876,69 1.619,70 28.676,71 8.938,72 79.708,73 11.509,74 0.717,75 1.646,76 39.93,77 11.574,78 62.903,79 15.403,80 0.874,81 1.675,82 32.114,83 9.766,84 94.335,85 13.343,86 0.82,87 1.711,88 35.974,89 10.62,90 67.204,91 14.361,92 0.871,93 1.655,94 32.132,95 8.88,96 79.093,97 12.587,98 0.664,99 1.594,100 27.046,101 9.146,102 58.496,103 12.288,104 39,105 53,106 0.307,107 0.66,108 0.839,109 0.85,110 0.85,111 0.85,112 3.561,113 1.022,114 -2.56,115 -2.58,116 -2.52,119 34.5,120 1,124 1,125 5,142 2,143 2,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 8,177 2,178 5,180 3,183 1,186 1,187 5,190 2,192 2,195 1,198 3,199 8,201 1,202 3,203 1,204 3,207 2,209 2,211 3,212 5,217 2,220 2,222 1,223 3,224 6,226 1,227 6,228 1,229 3,231 1,232 2,234 1,236 3,237 3,242 1,245 1,249 3,250 5,252 1,253 3,255 2,258 2,260 1,262 4,263 5,265 1,266 2,271 1,275 2340,276 22.22,277 22.22,278 22.22,279 22.22,280 22.22,281 19.605,282 30.884,283 13.049,284 23.119,285 18.347,286 18.347,287 18.347,288 18.347,289 18.347,290 14.34,291 43.334,292 6.337,293 19.88,294 3.961,295 1.786,296 0.681,297 0.612,298 0.612,299 0.612,300 4.252,302 1,306 839,307 3.742,311 469.201,318 1.817,319 44.728,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 75.833,331 395,332 4.654,333 4.312,334 6.549,335 4.103,336 3.169,337 4.449,338 0.916,339 10.411,340 2.975,341 4.453,342 3.204,343 6.501,344 4.048,345 3.091,346 4.147,347 0.86,348 10.319,349 2.926,350 4.192,351 3.135,352 5.963,353 3.693,354 2.768,355 3.851,356 0.4,357 8.503,358 2.554,359 4.022,360 2.969,361 5.603,362 3.597,363 2.663,364 3.626,365 0.172,366 7.717,367 2.491,368 3.706,369 2.746,370 5.522,371 3.446,372 2.529,373 2.984,375 7.422,376 2.314,377 3.497,378 2.505,379 5.235,380 3.138,381 2.21,382 2.791,384 6.548,385 2.033,386 3.33,387 2.333,388 5.001,389 3.031,390 2.081,391 2.481,393 5.942,394 1.952,395 3.232,396 2.086,397 4.837,398 2.796,399 1.879,400 2.457,402 5.233,403 1.721,404 3.135,405 2.024,406 4.618,407 2.685,408 1.758,409 2.323,411 4.963,412 1.622,413 2.841,414 1.902,415 4.195,416 2.328,417 1.438,418 1.972,420 3.808,421 1.237,422 2.55,423 1.779,424 3.947,425 2.272,426 1.414,427 1.575,428 3.056,429 1.205,430 2.442,431 1.256,432 3.593,433 2,434 1.058,435 1.441,436 2.911,437 0.993,438 2,439 1.069,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.692,448 0.836,449 3.156,450 1.34,451 0.452,452 0.537,454 1.131,455 0.382,456 1.439,457 0.712,458 3.127,459 1.069,460 0.194,461 0.23,463 0.495,464 0.157,465 16.148,466 0.475,467 1.099,468 0.032,469 46.5,470 1.368,471 22.5,472 0.662,473 24,474 0.706,475 29.799,476 0.876,477 37.852,478 0.653,479 38.855,480 1.143,481 8.951,482 0.263,483 7.208,484 0.212,485 0.172,486 0.052,487 0.303,493 0.771,494 1.671,495 0.704,496 1.268,497 0.77,498 0.962,499 0.856,500 1.093,501 0.865,502 0.995,503 0.51,504 0.846,505 1.257,506 1.06,507 0.88,508 0.802,509 1.198,510 0.974,511 0.618,512 0.963,513 0.823,514 0.963,515 0.54,516 0.961,517 0.782,518 1.167,519 0.721,520 0.936,521 0.774,522 0.965,523 0.722,524 1.004,525 0.987,526 1.022,527 0.603,528 1.044,529 1.008,530 1.039,531 0.762,532 0.785,533 0.868,534 0.914,535 0.779,536 1.203,537 0.816,538 0.979,539 0.643,540 1.073,541 9.5,542 0.339,543 2.889,544 2.5,545 2.191,546 1.104,547 0.992,548 0.672,549 0.555,550 0.465,551 15745,552 53536,553 2.035,554 41.4,556 15,558 2,559 4,560 3,564 1.766,565 1.88,566 3.508,567 1.691,573 110.001,574 1.897,575 4.072,576 5.177,577 5.246,578 5.246,579 5.246,580 2.974,581 4.653,582 5.057,583 3.704,584 2078.22,585 8.907,586 31770.7,591 339.763,592 1.611,593 4.999,594 0.257,595 0.008,596 0.055,597 0.049,598 0.043,599 0.02,600 0.019,601 0.014,602 0.011,603 0.01,604 0.485,605 0.17,606 0.75,607 0.891,608 181.034,609 -0.05,610 -0.359,611 0.126,612 -0.142,613 -0.175,614 -0.011,615 0.132,616 0.045,617 0.007,618 0.011,619 0.321,620 0.081,621 -0.253,622 0.004,623 -0.108,624 0.07,625 -0.213,626 -0.062,627 0.094,628 0.048,629 0.12,630 0.029,631 0.075,632 0.065,633 0.086,634 -0.13,635 0.094,636 -0.033,637 0.097,638 -0.003,639 0.056,640 0.047,641 -0.1,642 -0.098,643 0.036,644 -0.075,645 -0.138,646 -0.012,647 -0.008,648 0.058,649 -0.12,650 0.015,651 -0.007,652 -0.11,653 -0.009,654 -0.069,655 0.014,656 -0.129,657 4.459,658 4.65,659 0.706,660 37.225,661 1.024,662 1.143,663 1.328,664 1.764,665 0.673,666 3.638,667 3.989,668 4.159,669 4.454,670 4.71,671 4.754,672 4.898,673 5.088,674 5.209,675 5.308,676 7.227,677 0.648,678 506.05,679 3.638,680 5.198,681 6.023,682 6.913,683 7.757,684 8.648,685 9.503,686 10.393,687 11.256,688 12.146,689 15.5,692 1,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 1,731 58,733 20,735 37,737 61,738 20,739 13,746 4,747 4,748 1,752 1,761 13,762 7,766 2,769 1,771 2,781 24,782 12,783 4,784 14,785 2,790 9,794 1,795 3,805 2,812 4,836 1,839 1,840 4,842 1,844 2,845 1,848 34,849 1,852 1,854 5,855 2,856 1,859 1,869 1,870 5.2,873 2,874 1,877 18.083,878 10.926,879 7.208,880 3.133,881 3.335,882 1.426,883 0.988,884 7.453,885 11.165,886 3.892,887 4.527,888 4.951,889 5.548,890 6.12,891 6.36,892 6.742,893 7.198,894 7.554,895 7.884,896 0.875,897 51,898 12.713,900 5.585,901 7.942,902 23.483,904 19.027,905 2.442,906 83.028,910 235.422,911 98.211,912 154.365,913 39.149,914 55.313,916 5.807,917 92.404,918 329.884,919 154.365,920 16.016,921 15.502,922 57.657,923 179.188,924 55.77,925 46.447,926 211.88,928 235.422,929 246.769,930 55.313,931 44.956,933 240.078,934 44.313,935 11,937 65.456,938 76.324,939 106.14,940 39.149,941 235.422,942 209.678,943 137.36,945 5.807,946 235.422,947 39.341,948 56.187,949 34.416,950 211.286,951 235.422,952 209.678,953 137.36,955 0.59,956 0.31,957 0.171,958 0.102,959 25,960 12,961 0.115,962 7,964 1,965 4.351,966 320.02,968 24,969 166.974,973 1,974 24.512,975 10.338,976 6.724,978 209.678,979 6.697,980 21.412,984 3.558,986 67.313,987 582.46,988 48,991 -3.542,993 23.3,999 59.367,1000 66.299,1001 0.324,1002 0.695,1003 0.884,1004 0.895,1005 0.895,1006 0.895,1007 5.15,1008 1.879,1009 6.047,1010 5.942,1011 4.673,1012 5.215,1013 1.459,1014 6.855,1015 4.523,1016 6.39,1017 1.758,1018 7.605,1019 5.233,1020 4.443,1021 5.301,1022 0.325,1023 7.861,1024 4.218,1025 7.732,1026 1.438,1027 9.261,1028 4.963,1029 6.312,1030 7.483,1031 1.132,1032 10.84,1033 6.035,1034 9.105,1035 1.414,1036 10.972,1037 3.808,1038 6.804,1039 8.303,1040 0.393,1041 12.595,1042 6.455,1043 10.508,1044 1.058,1045 12.718,1046 3.056,1047 8.22,1048 10.055,1049 0.925,1050 15.151,1051 7.822,1052 11.931,1053 1,1054 14.487,1055 2.911,1056 9.041,1057 11.2,1058 0.384,1059 17.227,1060 8.576,1061 13.37,1062 0.452,1063 16.275,1064 2.136,1065 10.278,1066 12.785,1067 0.765,1068 19.636,1069 9.761,1070 3.169,1071 0.194,1072 18.076,1073 1.131,1074 11.258,1075 14.086,1076 0.351,1077 21.855,1078 10.679,1079 3.091,1080 10.411,1081 19.888,1082 0.495,1083 12.423,1084 15.6,1085 0.634,1086 24.211,1087 11.789,1088 2.768,1089 10.319,1090 21.709,1091 4.449,1092 13.48,1093 16.98,1094 0.312,1095 26.494,1096 12.786,1097 2.663,1098 8.503,1099 23.538,1100 4.147,1101 14.618,1102 18.463,1103 0.525,1104 28.834,1105 13.868,1106 2.529,1107 7.717,1108 25.373,1109 3.851,1110 15.712,1111 19.884,1112 0.273,1113 31.145,1114 14.904,1115 2.21,1116 7.422,1117 27.213,1118 3.626,1119 16.842,1120 21.356,1121 0.433,1122 33.48,1123 15.977,1124 2.081,1125 6.548,1126 29.059,1127 2.984,1128 17.956,1129 22.799,1130 0.236,1131 35.805,1132 17.033,1133 15216,1134 28334,1135 24.156,1136 39.012,1137 55.452,1138 57.77,1139 56.244,1140 55.431,1141 55.41,1142 71.728,1143 4.698,1144 161.189,1145 51.02,1146 5.654,1147 6.312,1148 6.351,1149 5.206,1150 5.169,1151 7.449,1152 1.776,1153 17.304,1154 4.926,1155 19.401,1156 1.499,1157 1.561,1158 1.52,1159 1.498,1160 1.498,1161 1.939,1162 0.127,1163 4.356,1164 1.379,1165 4.044,1166 4.072,1167 4.717,1168 3.966,1169 7.718,1170 3.917,1171 3.959,1172 3.964,1173 4.006,1174 3.86,1175 6.999,1176 3.821,1177 3.792,1178 3.856,1179 3.916,1180 3.68,1181 5.259,1182 3.634,1183 3.776,1184 3.79,1185 3.718,1186 3.568,1187 5.046,1188 3.596,1189 3.669,1190 3.71,1191 3.606,1192 3.475,1193 4.871,1194 3.496,1195 3.21,1196 3.285,1197 3.356,1198 3.038,1199 4.672,1200 3.041,1201 3.163,1202 3.258,1203 3.039,1204 2.941,1205 4.618,1206 2.922,1207 3.111,1208 3.206,1209 2.986,1210 2.917,1211 4.369,1212 2.91,1213 0.126,1214 0.117,1215 0.177,1216 0.111,1217 0.086,1218 4.654,1219 0.12,1220 4.312,1221 0.025,1222 6.549,1223 0.281,1224 4.103,1225 0.08,1226 3.169,1227 4.449,1228 0.916,1229 10.411,1230 2.975,1231 1.928,1232 1.896,1233 2.013,1234 2.079,1235 1.259,1236 2.064,1237 1.839,1238 1.83,1239 1.907,1240 1.985,1241 1.072,1242 2.002,1243 1.71,1244 1.658,1245 1.846,1246 1.955,1247 1.023,1248 1.937,1249 1.638,1250 1.639,1251 1.758,1252 1.832,1253 0.868,1254 1.841,1255 1.59,1256 1.538,1257 1.602,1258 1.753,1259 0.825,1260 1.777,1261 1.181,1262 1.114,1263 1.513,1264 1.444,1265 0.787,1266 1.465,1267 1.153,1268 1.064,1269 1.458,1270 1.385,1271 0.604,1272 1.429,1273 1.102,1274 1.013,1275 1.347,1276 1.376,1277 0.252,1278 1.382,1279 4.317,1281 5.659,1283 7.174,1285 8.769,1287 10.407,1289 2.76,1290 6.045,1293 5.867,1295 3.737,1296 5.496,1297 5.424,1300 2.274,1305 37.566,1306 110.001,1307 236.153,1308 300.253,1309 304.253,1310 304.253,1311 304.253,1312 69.239,1313 7.83,1314 161.14,1315 169.52,1316 24,1317 12.68,1318 4.392,1319 3.585,1320 56.491,1321 141,1322 154,1323 0.186,1324 239.298,1325 407.75,1326 575.648,1327 26324,1328 1.7,1329 24.294,1330 0.715,1331 0.594,1332 25.044,1333 20.189,1334 16.159,1335 0.437,1336 0.341,1337 10.318,1338 14.292,1339 9.85,1340 8.137,1341 17.374,1342 12.61,1343 15.937,1344 0.301,1345 0.186,1346 17.69,1347 9.861,1348 11.35,1349 0.18,1350 0.091,1351 12.168,1352 5.749,1353 9.922,1354 0.117,1355 0.049,1356 10.697,1357 4.191,1358 8.281,1359 0.075,1360 0.027,1361 9.275,1362 2.972,1363 0.29,1364 115.219,1365 0.203,1366 31.213,1367 0.521,1368 180,1369 610.119,1370 250.373,1371 634.992,1372 844.25,1373 586,1374 206,1375 571.165,1376 278.899,1377 618.407,1378 892.58,1379 574,1380 8.013}
{0 CHEMBL2206909,1 1.873,2 12.417,3 1.218,4 1.483,5 136.987,6 8.494,7 0.462,8 4.268,9 4.391,10 4.051,11 3.721,12 5.376,13 3.72,14 4.818,15 5.007,16 4.375,17 4.093,18 6.104,19 4.077,20 4.992,21 5.172,22 4.412,23 4.274,24 6.155,25 4.219,26 5.144,27 5.379,28 4.397,29 4.291,30 6.258,31 4.207,32 5.033,33 5.244,34 4.466,35 4.26,36 6.26,37 4.22,38 5.035,39 5.24,40 4.419,41 4.302,42 6.209,43 4.242,44 5.122,45 5.358,46 4.344,47 4.267,48 6.203,49 4.201,50 4.964,51 5.166,52 4.35,53 4.213,54 6.119,55 4.148,56 0.213,57 1.034,58 14.291,59 4.771,60 23.777,61 6.294,62 0.903,63 1.518,64 27.736,65 8.17,66 77.849,67 10.801,68 0.752,69 1.77,70 36.04,71 10.831,72 59.445,73 13.637,74 1.092,75 1.782,76 49.124,77 12.651,78 117.478,79 16.94,80 0.947,81 1.767,82 36.253,83 10.202,84 96.571,85 14.647,86 0.743,87 1.835,88 34.155,89 11.33,90 59.087,91 15.559,92 1.066,93 1.794,94 45.622,95 10.46,96 95.516,97 15.319,98 0.701,99 1.708,100 28.998,101 9.448,102 57.665,103 13.091,104 53,105 56,106 0.299,107 0.644,108 0.821,109 0.832,110 0.832,111 0.832,112 3.616,113 0.987,114 -3.28,115 -3.27,116 -3.14,119 33.3,120 1,124 2,125 5,142 2,143 2,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 6,175 8,177 2,178 6,180 3,183 1,186 1,187 5,190 2,192 2,195 1,198 3,199 9,201 1,202 3,203 1,204 3,207 2,209 2,211 4,212 6,217 2,220 2,222 1,223 3,224 6,226 1,227 7,228 1,229 3,231 1,232 2,234 1,236 3,237 3,242 1,245 1,249 4,250 6,252 1,253 3,255 2,258 2,260 1,262 4,263 6,265 1,266 2,271 1,275 2650,276 23.504,277 23.504,278 23.504,279 23.504,280 23.504,281 20.95,282 35.035,283 13.679,284 24.366,285 19.264,286 19.264,287 19.264,288 19.264,289 19.264,290 15.277,291 50.162,292 6.565,293 20.714,294 4.105,295 1.942,296 0.83,297 0.766,298 0.766,299 0.766,300 4.305,302 1,306 945,307 4.123,311 503.556,318 1.861,319 47.69,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.5,328 0.5,329 0.59,330 80.333,331 447,332 4.792,333 3.444,334 7.229,335 4.345,336 3.361,337 4.565,338 0.916,339 12.081,340 3.309,341 4.453,342 3.188,343 6.548,344 4.053,345 3.094,346 4.147,347 0.86,348 10.404,349 2.971,350 4.205,351 3.098,352 6.06,353 3.738,354 2.81,355 3.859,356 0.4,357 8.712,358 2.604,359 4.023,360 2.969,361 5.604,362 3.598,363 2.664,364 3.626,365 0.4,366 7.718,367 2.491,368 3.706,369 2.745,370 5.524,371 3.45,372 2.532,373 2.985,374 0.172,375 7.432,376 2.32,377 3.499,378 2.505,379 5.24,380 3.147,381 2.216,382 2.792,384 6.563,385 2.044,386 3.33,387 2.333,388 5.001,389 3.033,390 2.082,391 2.481,393 5.942,394 1.962,395 3.232,396 2.086,397 4.838,398 2.796,399 1.879,400 2.457,402 5.235,403 1.722,404 3.136,405 2.024,406 4.618,407 2.688,408 1.759,409 2.324,411 4.963,412 1.627,413 2.854,414 1.916,415 4.47,416 2.419,417 1.53,418 1.984,420 3.981,421 1.326,422 2.55,423 1.822,424 4.029,425 2.272,426 1.414,427 1.575,428 3.075,429 1.205,430 2.512,431 1.502,432 3.946,433 2.205,434 1.275,435 1.47,436 3.054,437 1.169,438 2.442,439 1.256,440 3.593,441 2,442 1.058,443 1.441,445 2.911,446 0.993,447 2,448 1.069,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.692,457 0.816,458 3.132,459 1.339,460 0.449,461 0.535,463 1.127,464 0.381,465 17.048,466 0.474,467 1.156,468 0.032,469 48,470 1.333,471 22.5,472 0.625,473 25.5,474 0.708,475 32.767,476 0.91,477 40.552,478 0.644,479 42.43,480 1.179,481 9.379,482 0.261,483 7.723,484 0.215,485 0.192,486 0.049,487 0.311,493 0.774,494 1.814,495 0.704,496 1.36,497 0.771,498 1.014,499 0.834,500 0.906,501 0.729,502 0.742,503 0.524,504 0.734,505 1.097,506 1.314,507 1.145,508 1.255,509 0.914,510 1.118,511 1.097,512 0.868,513 0.905,514 0.845,515 1.381,516 0.907,517 0.744,518 1.095,519 0.684,520 0.891,521 0.763,522 0.895,523 0.635,524 1.133,525 0.857,526 1.066,527 0.56,528 1.085,529 1.151,530 0.992,531 1.118,532 0.872,533 0.951,534 0.953,535 0.847,536 1.237,537 0.899,538 1.051,539 0.693,540 1.171,541 10,542 0.388,543 4,544 2.5,545 2.271,546 1.271,547 1.075,548 0.727,549 0.58,550 0.505,551 18295,552 59846,553 2.017,554 42.9,556 18,558 2,559 4,560 3,564 1.78,565 1.854,566 3.602,567 1.66,573 117.974,574 1.873,575 4.036,576 5.148,577 5.211,578 5.211,579 5.211,580 3.063,581 4.448,582 5.14,583 3.781,584 2381.74,585 9.07,586 37978.1,591 376.569,592 1.637,593 5.076,594 0.256,595 0.008,596 0.071,597 0.044,598 0.043,599 0.022,600 0.018,601 0.014,602 0.011,603 0.01,604 0.498,605 0.17,606 0.75,607 1.034,608 195.417,609 -0.033,610 -0.473,611 0.141,612 -0.215,613 -0.173,614 -0.041,615 0.194,616 0.232,617 0.122,618 0.213,619 0.309,620 0.182,621 -0.166,622 -0.154,623 -0.178,624 -0.153,625 -0.04,626 -0.145,627 -0.098,628 0.087,629 0.046,630 0.114,631 -0.143,632 0.081,633 0.133,634 -0.051,635 0.146,636 0.026,637 0.12,638 0.078,639 0.11,640 -0.024,641 -0.028,642 -0.114,643 0.067,644 -0.106,645 -0.2,646 -0.003,647 -0.124,648 0.021,649 -0.151,651 -0.054,652 -0.095,653 -0.1,654 -0.134,655 -0.032,656 -0.236,657 4.699,658 5.275,659 0.667,660 40.944,661 1.021,662 1.146,663 2.054,664 4.219,665 0.663,666 3.689,667 4.043,668 4.248,669 4.477,670 4.745,671 4.804,672 4.942,673 5.124,674 5.263,675 5.357,676 7.57,677 0.637,678 535.1,679 3.689,680 5.252,681 6.089,682 6.973,683 7.83,684 8.715,685 9.581,686 10.467,687 11.338,688 12.225,689 15.9,692 2,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 1,731 63,733 20,735 39,737 66,738 21,739 13,746 4,747 4,748 1,752 1,761 13,762 8,766 2,769 1,771 2,781 27,782 13,783 4,784 15,785 2,790 10,794 1,795 3,805 2,812 4,836 1,839 1,840 4,842 1,844 3,845 1,848 36,849 1,852 1,854 5,855 2,856 1,859 2,869 1,870 4.8,873 2,874 1,877 19.417,878 12.126,879 7.708,880 3.4,881 3.344,882 1.421,883 0.979,884 8.197,885 11.288,886 3.932,887 4.559,888 5.019,889 5.555,890 6.133,891 6.38,892 6.763,893 7.216,894 7.582,895 7.904,896 1,897 57,898 13.513,900 5.936,901 7.917,902 24.898,904 20.027,905 2.417,906 87.028,910 270.735,911 107.575,912 155.883,913 39.149,914 55.313,916 5.569,917 102.006,918 365.197,919 155.883,920 25.618,921 15.502,922 57.419,923 179.188,924 57.289,925 46.447,926 247.193,928 270.735,929 257.89,930 55.313,931 44.718,933 275.391,934 44.313,935 11,937 66.975,938 85.927,939 105.902,940 39.149,941 270.735,942 211.196,943 146.724,945 5.569,946 270.735,947 39.341,948 67.308,949 34.416,950 211.286,951 270.735,952 211.196,953 146.724,955 0.594,956 0.332,957 0.164,958 0.096,959 26,960 13,961 0.121,962 8,964 1,965 4.468,966 346.232,968 24,969 178.117,973 1,974 26.415,975 11.171,976 6.776,978 211.196,979 6.697,980 21.511,984 3.467,986 67.313,987 628.656,988 50,991 -3.783,993 24.55,999 64.352,1000 72.212,1001 0.313,1002 0.675,1003 0.861,1004 0.872,1005 0.872,1006 0.872,1007 5.196,1008 1.879,1009 6.116,1010 5.942,1011 4.727,1012 5.247,1013 1.531,1014 6.944,1015 4.596,1016 6.433,1017 1.759,1018 7.697,1019 5.235,1020 4.511,1021 5.33,1022 0.325,1023 8.042,1024 4.359,1025 7.776,1026 1.53,1027 9.383,1028 4.963,1029 6.385,1030 7.515,1031 1.148,1032 11.055,1033 6.169,1034 9.156,1035 1.414,1036 11.134,1037 3.981,1038 6.929,1039 8.361,1040 0.393,1041 12.972,1042 6.713,1043 10.57,1044 1.275,1045 12.929,1046 3.075,1047 8.348,1048 10.112,1049 0.928,1050 15.58,1051 8.082,1052 12.007,1053 1.058,1054 14.756,1055 3.054,1056 9.234,1057 11.29,1058 0.384,1059 17.831,1060 8.973,1061 13.463,1062 1,1063 16.607,1064 2.911,1065 10.487,1066 12.881,1067 0.765,1068 20.325,1069 10.191,1070 3.361,1071 0.449,1072 18.479,1073 2.136,1074 11.53,1075 14.215,1076 0.351,1077 22.708,1078 11.237,1079 3.094,1080 12.081,1081 20.368,1082 1.127,1083 12.725,1084 15.741,1085 0.634,1086 25.177,1087 12.41,1088 2.81,1089 10.404,1090 22.27,1091 4.565,1092 13.842,1093 17.153,1094 0.312,1095 27.613,1096 13.525,1097 2.664,1098 8.712,1099 24.183,1100 4.147,1101 15.021,1102 18.654,1103 0.525,1104 30.081,1105 14.689,1106 2.532,1107 7.718,1108 26.106,1109 3.859,1110 16.173,1111 20.105,1112 0.273,1113 32.541,1114 15.837,1115 2.216,1116 7.432,1117 28.037,1118 3.626,1119 17.351,1120 21.6,1121 0.433,1122 35.013,1123 17.004,1124 2.082,1125 6.563,1126 29.974,1127 2.985,1128 18.522,1129 23.072,1130 0.236,1131 37.484,1132 18.168,1133 17752,1134 32374,1135 25.255,1136 41.779,1137 58.698,1138 59.86,1139 60.299,1140 58.563,1141 58.612,1142 74.912,1143 5.498,1144 171.582,1145 54.432,1146 5.792,1147 5.444,1148 7.031,1149 5.448,1150 5.361,1151 7.565,1152 1.776,1153 19.067,1154 5.259,1155 21.704,1156 1.505,1157 1.535,1158 1.546,1159 1.502,1160 1.503,1161 1.921,1162 0.141,1163 4.4,1164 1.396,1165 4.049,1166 4.077,1167 4.722,1168 3.944,1169 7.717,1170 3.916,1171 3.963,1172 3.975,1173 4.006,1174 3.851,1175 6.999,1176 3.814,1177 3.793,1178 3.856,1179 3.916,1180 3.672,1181 5.259,1182 3.631,1183 3.786,1184 3.815,1185 3.718,1186 3.568,1187 5.046,1188 3.596,1189 3.67,1190 3.719,1191 3.606,1192 3.474,1193 4.871,1194 3.496,1195 3.258,1196 3.331,1197 3.356,1198 3.047,1199 4.672,1200 3.05,1201 3.197,1202 3.281,1203 3.099,1204 2.996,1205 4.618,1206 2.972,1207 3.159,1208 3.24,1209 3.037,1210 2.941,1211 4.369,1212 2.912,1213 0.123,1214 0.088,1215 0.185,1216 0.111,1217 0.086,1218 4.792,1219 0.117,1220 3.444,1221 0.023,1222 7.229,1223 0.31,1224 4.345,1225 0.085,1226 3.361,1227 4.565,1228 0.916,1229 12.081,1230 3.309,1231 1.927,1232 1.894,1233 2.013,1234 2.08,1235 1.259,1236 2.064,1237 1.834,1238 1.818,1239 1.907,1240 1.994,1241 1.068,1242 2.006,1243 1.71,1244 1.653,1245 1.847,1246 1.956,1247 1.01,1248 1.939,1249 1.644,1250 1.632,1251 1.762,1252 1.86,1253 0.887,1254 1.862,1255 1.593,1256 1.538,1257 1.75,1258 1.793,1259 0.825,1260 1.788,1261 1.195,1262 1.13,1263 1.513,1264 1.449,1265 0.787,1266 1.474,1267 1.153,1268 1.085,1269 1.458,1270 1.44,1271 0.608,1272 1.462,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.469,1278 1.429,1279 4.369,1281 5.714,1283 7.239,1285 8.845,1287 10.492,1289 4.539,1290 6.131,1293 5.888,1295 3.714,1296 5.574,1297 5.435,1300 3.306,1305 40.114,1306 117.974,1307 254.248,1308 324.304,1309 328.304,1310 328.304,1311 328.304,1312 77.684,1313 7.944,1314 164.38,1315 172.76,1316 24,1317 12.759,1318 4.392,1319 3.585,1320 61.749,1321 159,1322 168,1323 0.183,1324 255.685,1325 436.05,1326 615.631,1327 30582,1328 1.6,1329 25.872,1330 0.719,1331 0.601,1332 26.622,1333 21.636,1334 17.102,1335 0.439,1336 0.329,1337 10.911,1338 15.064,1339 10.437,1340 8.665,1341 18.212,1342 12.827,1343 16.52,1344 0.295,1345 0.188,1346 18.276,1347 10.512,1348 12.827,1349 0.186,1350 0.102,1351 14.383,1352 7.022,1353 10.047,1354 0.115,1355 0.049,1356 10.885,1357 4.283,1358 8.464,1359 0.074,1360 0.027,1361 9.512,1362 3.085,1363 0.285,1364 120.545,1365 0.199,1366 32.728,1367 0.508,1368 190,1369 639.764,1370 269.412,1371 662.688,1372 886.15,1373 612,1374 220,1375 600.77,1376 301.735,1377 655.203,1378 951.92,1379 608,1380 8.721}
{0 CHEMBL2206910,1 2.025,2 9.828,3 2.359,4 5.564,5 109.815,6 10.119,7 0.581,8 3.944,9 4.05,10 3.885,11 3.487,12 5.157,13 3.477,14 4.441,15 4.598,16 4.22,17 3.829,18 5.899,19 3.82,20 4.609,21 4.755,22 4.275,23 3.971,24 5.952,25 3.95,26 4.676,27 4.835,28 4.319,29 4.021,30 5.977,31 3.962,32 4.764,33 4.96,34 4.36,35 3.996,36 6.152,37 3.96,38 4.653,39 4.843,40 4.139,41 3.949,42 5.927,43 3.879,44 4.635,45 4.858,46 4.15,47 3.85,48 5.872,49 3.787,50 4.468,51 4.655,52 4.058,53 3.795,54 5.751,55 3.694,56 0.205,57 0.764,58 6.636,59 3.663,60 22.281,61 3.534,62 0.61,63 1.104,64 17.374,65 6.355,66 60.533,67 6.803,68 0.726,69 1.238,70 20.325,71 6.893,72 67.789,73 6.191,74 0.703,75 1.273,76 22.93,77 8.415,78 73.735,79 8.687,80 0.995,81 1.286,82 28.702,83 8.055,84 103.701,85 9.266,86 0.7,87 1.213,88 25.755,89 8.269,90 52.926,91 9.534,92 0.796,93 1.1,94 23.142,95 7.056,96 78.935,97 8.193,98 0.653,99 0.919,100 26.281,101 7.495,102 59.329,103 8.527,104 67,105 46,106 0.346,107 0.699,108 0.853,109 0.868,110 0.868,111 0.868,112 3.408,113 1.031,114 -3.32,115 -3.3,116 -3.16,119 35.6,120 1,124 2,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 6,175 7,177 2,178 3,180 2,183 1,186 1,187 6,190 1,192 1,195 2,198 2,199 5,201 1,202 4,204 2,207 2,209 2,211 3,212 6,217 3,220 2,222 1,223 2,224 5,226 1,227 4,228 1,229 1,231 1,236 2,237 3,242 1,245 3,247 1,249 4,250 4,255 1,258 2,260 1,262 1,263 6,265 1,266 1,275 1314,276 18.367,277 18.367,278 18.367,279 18.367,280 18.367,281 15.746,282 24.615,283 10.43,284 19.161,285 15.277,286 15.277,287 15.277,288 15.277,289 15.277,290 11.267,291 36.933,292 4.992,293 16.722,294 3.467,295 1.398,296 0.495,297 0.406,298 0.406,299 0.406,300 4.08,301 1,302 1,304 1,305 1,306 591,307 3.808,311 284.54,318 1.444,319 43.196,322 1,323 0.67,324 1,325 0.4,327 0.83,328 0.5,329 0.63,330 64.667,331 285,332 4.783,333 4.381,334 7.217,335 4.309,336 3.375,337 4.545,338 0.4,339 12.02,340 3.135,341 4.448,342 3.236,343 6.544,344 4.037,345 3.085,346 4.142,347 0.4,348 10.383,349 2.937,350 4.199,351 3.164,352 6.101,353 3.692,354 2.768,355 3.86,357 8.757,358 2.552,359 4.007,360 2.829,361 5.575,362 3.511,363 2.599,364 3.616,366 7.542,367 2.362,368 3.579,369 2.695,370 5.262,371 3.154,372 2.25,373 2.912,375 6.645,376 2.016,377 3.453,378 2.367,379 4.968,380 2.994,381 2.1,382 2.771,384 5.818,385 1.803,386 3.232,387 2.212,388 4.83,389 2.796,390 1.879,391 2.481,393 5.22,394 1.72,395 3.145,396 2.085,397 4.618,398 2.676,399 1.755,400 2.384,402 4.963,403 1.588,404 2.944,405 1.87,406 4.559,407 2.453,408 1.59,409 2.08,411 4.336,412 1.316,413 2.55,414 1.069,415 3.94,416 2,417 1.058,418 1.575,420 2.92,421 0.993,422 2.086,423 1.049,424 3.701,425 1.706,426 0.776,427 0.968,428 1.972,429 0.713,430 1.625,431 0.818,432 3.096,433 1.242,434 0.378,435 0.452,436 0.952,437 0.302,438 1.198,439 0.525,440 2.717,441 0.723,442 -0.087,443 -0.105,445 -0.202,446 -0.059,447 1,448 0.353,449 2.637,450 0.572,451 -0.347,452 -0.445,454 -0.891,455 -0.318,456 1,457 -0.111,458 2.382,459 0.468,460 -0.44,461 -0.559,463 -1.146,464 -0.375,465 14.129,466 0.487,467 1.131,468 0.039,469 42.75,470 1.474,471 22.5,472 0.776,473 20.25,474 0.698,475 23.407,476 0.807,477 31.471,478 0.699,479 34.265,480 1.182,481 8.155,482 0.281,483 5.386,484 0.186,485 0.283,486 0.059,487 0.347,493 0.708,494 1.648,495 0.628,496 1.164,497 0.789,498 0.865,499 0.609,500 1.016,501 0.712,502 0.856,503 0.502,504 0.68,505 1.369,506 1.106,507 1.084,508 0.965,509 1.299,510 0.926,511 1.051,512 1.123,513 0.867,514 1.013,515 1.161,516 1.097,517 0.851,518 0.987,519 0.854,520 0.888,521 0.808,522 0.92,523 0.821,524 1.063,525 1.075,526 1.08,527 0.654,528 1.13,529 1.013,530 0.848,531 0.772,532 0.677,533 0.889,534 0.825,535 0.957,536 0.927,537 1.318,538 1.057,539 0.764,540 1.074,541 9,542 0.306,543 3.778,544 2.563,545 2.2,546 1.153,547 0.832,548 0.648,549 0.472,550 0.382,551 9397,552 38716,553 1.946,554 35.6,556 8,558 2,559 3,560 3,564 1.724,565 1.749,566 3.307,567 1.096,569 1,573 91.133,574 2.025,575 4.094,576 4.997,577 5.086,578 5.086,579 5.086,580 2.643,581 4.392,582 4.834,583 3.485,584 1415.1,585 8.442,586 19010.3,591 247.133,592 1.739,593 4.736,594 0.29,595 0.013,596 0.082,597 0.055,598 0.049,599 0.025,600 0.02,601 0.018,602 0.014,603 0.013,604 0.579,605 0.33,606 0.88,607 1.015,608 145.823,609 -0.058,610 -0.382,611 0.085,612 -0.145,613 -0.223,614 -0.014,615 0.259,616 0.12,617 0.088,618 0.113,619 0.328,620 0.209,621 -0.363,622 0.013,623 -0.233,624 -0.024,625 -0.264,626 -0.082,627 -0.122,628 -0.082,629 -0.044,630 -0.078,631 -0.177,632 -0.174,633 0.109,634 -0.022,635 0.055,636 -0.017,637 0.087,638 0.029,640 -0.057,641 -0.161,642 -0.16,643 0.007,644 -0.163,645 -0.102,646 0.103,647 0.103,648 0.193,649 -0.076,650 0.15,651 -0.017,652 0.008,653 -0.121,654 -0.028,655 0.019,656 -0.039,657 4.444,658 4.852,659 0.621,660 24.411,661 1.036,662 1.14,663 2.086,664 4.351,665 0.714,666 3.466,667 3.85,668 4.043,669 4.29,670 4.533,671 4.554,672 4.644,673 4.762,674 4.828,675 4.86,676 6.31,677 0.691,678 455.37,679 3.466,680 5.043,681 5.883,682 6.783,683 7.645,684 8.543,685 9.415,686 10.311,687 11.186,688 12.081,689 17.8,693 1,695 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 2,731 45,733 20,735 31,737 47,738 16,739 13,746 3,747 3,748 2,752 1,761 13,762 3,766 2,769 1,771 2,778 1,781 16,782 10,783 3,784 13,785 3,790 8,794 1,795 2,805 2,812 3,840 3,842 1,844 3,845 2,848 29,849 1,852 1,855 1,859 1,869 2,870 4.4,873 2,877 16.583,878 9.152,879 6.111,880 2.256,881 3.665,882 1.497,883 0.981,884 6.1,885 11.041,886 3.761,887 4.449,888 4.914,889 5.489,890 6.063,891 6.272,892 6.626,893 7.045,894 7.379,895 7.674,896 1,897 47,898 10.818,900 4.79,901 8.108,902 19.434,904 15.474,905 2.608,906 75.639,909 1,910 153.024,911 91.421,912 136.354,913 78.297,914 44.313,916 5.807,917 85.614,918 275.635,919 136.354,920 24.412,922 57.657,923 151.783,924 54.48,925 46.447,926 129.482,927 39.149,928 153.024,929 221.968,930 44.313,931 84.105,933 157.68,934 44.313,937 46.83,938 86.554,939 128.884,940 39.149,941 153.024,942 180.667,943 169.718,945 5.807,946 153.024,947 24.154,948 62.978,949 18.011,950 239.435,951 153.024,952 180.667,953 169.718,955 0.605,956 0.333,957 0.171,958 0.1,959 22,960 12,961 0.106,962 5,964 1,965 3.791,966 256.467,968 18,969 138.881,973 1,974 21.462,975 8.243,976 5.029,978 180.667,979 6.036,980 20.679,984 2.654,986 50.908,987 503.41,988 42,991 -3.527,993 23.703,999 46.611,1000 51.289,1001 0.369,1002 0.746,1003 0.91,1004 0.926,1005 0.926,1006 0.926,1007 5.027,1008 1.755,1009 5.943,1010 5.22,1011 4.533,1012 5.136,1013 0.495,1014 6.804,1015 4.362,1016 6.306,1017 1.59,1018 7.549,1019 4.963,1020 4.443,1021 5.301,1023 7.955,1024 4.171,1025 7.672,1026 1.058,1027 9.26,1028 4.336,1029 6.232,1030 7.464,1031 0.097,1032 10.977,1033 5.926,1034 9.072,1035 0.776,1036 11.031,1037 2.92,1038 6.858,1039 8.335,1041 12.897,1042 6.465,1043 10.499,1044 0.378,1045 12.842,1046 1.972,1047 8.237,1048 10.081,1049 0.016,1050 15.535,1051 7.804,1052 11.946,1053 -0.087,1054 14.682,1055 0.952,1056 9.171,1057 11.264,1059 17.77,1060 8.663,1061 13.41,1062 -0.347,1063 16.545,1064 -0.202,1065 10.411,1066 12.853,1067 0.003,1068 20.286,1069 9.853,1070 3.375,1071 -0.44,1072 18.427,1073 -0.891,1074 11.485,1075 14.185,1077 22.654,1078 10.855,1079 3.085,1080 12.02,1081 20.322,1082 -1.146,1083 12.68,1084 15.709,1086 25.133,1087 11.992,1088 2.768,1089 10.383,1090 22.23,1091 4.545,1092 13.815,1093 17.116,1095 27.557,1096 13.058,1097 2.599,1098 8.757,1099 24.148,1100 4.142,1101 15,1102 18.615,1104 30.027,1105 14.178,1106 2.25,1107 7.542,1108 26.074,1109 3.86,1110 16.165,1111 20.061,1113 32.478,1114 15.274,1115 2.1,1116 6.645,1117 28.007,1118 3.616,1119 17.351,1120 21.552,1122 34.948,1123 16.392,1124 1.879,1125 5.818,1126 29.945,1127 2.912,1128 18.532,1129 23.019,1131 37.412,1132 17.502,1133 9400,1134 19249,1135 19.304,1136 32.125,1137 47.586,1138 49.403,1139 49.592,1140 47.463,1141 47.227,1142 63.574,1143 1.6,1144 143.058,1145 42.874,1146 5.587,1147 6.381,1148 6.54,1149 5.409,1150 5.375,1151 7.545,1152 0.8,1153 19.705,1154 5.08,1155 19.82,1156 1.535,1157 1.594,1158 1.6,1159 1.531,1160 1.523,1161 2.051,1162 0.052,1163 4.615,1164 1.383,1165 4.047,1166 4.062,1167 4.723,1168 3.981,1169 7.716,1170 3.914,1171 3.949,1172 3.966,1173 4.046,1174 3.839,1175 6.999,1176 3.819,1177 3.777,1178 3.802,1179 3.949,1180 3.675,1181 5.262,1182 3.635,1183 3.689,1184 3.723,1185 3.76,1186 3.504,1187 5.052,1188 3.534,1189 3.181,1190 3.278,1191 3.439,1192 2.997,1193 4.979,1194 2.99,1195 3.171,1196 3.269,1197 3.215,1198 2.941,1199 4.7,1200 2.937,1201 3.046,1202 3.11,1203 2.99,1204 2.842,1205 4.495,1206 2.839,1207 2.939,1208 3.028,1209 2.966,1210 2.731,1211 4.296,1212 2.737,1213 0.154,1214 0.141,1215 0.233,1216 0.139,1217 0.109,1218 4.783,1219 0.147,1220 4.381,1221 0.013,1222 7.217,1223 0.388,1224 4.309,1225 0.101,1226 3.375,1227 4.545,1228 0.4,1229 12.02,1230 3.135,1231 1.91,1232 1.889,1233 1.947,1234 2.059,1235 1.108,1236 2.05,1237 1.836,1238 1.823,1239 1.858,1240 1.986,1241 1.003,1242 1.988,1243 1.647,1244 1.649,1245 1.741,1246 1.842,1247 0.858,1248 1.845,1249 1.599,1250 1.548,1251 1.638,1252 1.753,1253 0.762,1254 1.769,1255 1.163,1256 1.072,1257 1.528,1258 1.442,1259 0.6,1260 1.482,1261 1.145,1262 1.051,1263 1.431,1264 1.435,1265 0.31,1266 1.46,1267 0.964,1268 0.906,1269 1.121,1270 1.189,1271 0.163,1272 1.187,1273 0.85,1274 0.778,1275 1.042,1276 1.15,1277 0.023,1278 1.136,1279 4.143,1281 5.509,1283 7.052,1285 8.676,1287 10.344,1289 4.128,1290 12.155,1293 5.725,1296 3.057,1300 1.028,1305 31.077,1306 91.133,1307 184.24,1308 224.869,1309 228.869,1310 228.869,1311 228.869,1312 65.781,1313 7.376,1314 139.88,1315 148.26,1316 18,1317 12.61,1318 4.392,1319 3.585,1320 52.213,1321 110,1322 87,1323 0.234,1324 205.865,1325 346.33,1326 494.07,1327 15451,1328 4.4,1329 21.345,1330 0.736,1331 0.617,1332 22.595,1333 17.879,1334 13.541,1335 0.437,1336 0.344,1337 8.111,1338 11.547,1339 7.596,1340 6.33,1341 15.012,1342 10.653,1343 13.73,1344 0.298,1345 0.192,1346 15.92,1347 8.812,1348 10.142,1349 0.181,1350 0.098,1351 11.552,1352 5.469,1353 8.145,1354 0.113,1355 0.046,1356 9.122,1357 3.308,1358 6.717,1359 0.073,1360 0.025,1361 7.868,1362 2.271,1363 0.361,1364 100.968,1365 0.228,1366 27.096,1367 0.658,1368 154,1369 552.254,1370 238.634,1371 615.559,1372 810.11,1373 564,1374 179,1375 530.562,1376 259.995,1377 588.999,1378 851.16,1379 547,1380 6.507}
{0 CHEMBL2206911,1 1.686,2 8.783,3 1.211,4 1.466,5 86.64,6 9.133,7 0.72,8 3.726,9 3.864,10 3.448,11 3.228,12 5.004,13 3.251,14 4.151,15 4.322,16 3.837,17 3.56,18 5.463,19 3.568,20 4.314,21 4.502,22 3.891,23 3.654,24 5.585,25 3.648,26 4.343,27 4.549,28 3.735,29 3.62,30 5.554,31 3.578,32 4.3,33 4.508,34 3.681,35 3.589,36 5.492,37 3.568,38 4.341,39 4.562,40 3.689,41 3.611,42 5.529,43 3.557,44 4.331,45 4.583,46 3.568,47 3.498,48 5.491,49 3.439,50 4.121,51 4.365,52 3.423,53 3.339,54 5.271,55 3.235,56 0.122,57 0.624,58 5.129,59 2.263,60 13.046,61 2.692,62 0.284,63 0.891,64 10.062,65 3.975,66 23.966,67 5.118,68 0.351,69 0.98,70 12.497,71 4.05,72 31.598,73 5.025,74 0.417,75 0.945,76 18.079,77 5.167,78 35.364,79 6.608,80 0.359,81 0.96,82 12.308,83 3.935,84 32.93,85 5.049,86 0.329,87 0.951,88 15.394,89 5.542,90 30.617,91 7.532,92 0.443,93 0.862,94 16.204,95 4.408,96 38.973,97 5.955,98 0.258,99 0.656,100 13.818,101 4.789,102 28.575,103 6.579,104 17,105 35,106 0.304,107 0.679,108 0.833,109 0.887,110 0.887,111 0.887,112 3.189,113 0.843,114 -3.39,115 -3.37,116 -3.23,119 38.9,120 1,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 2,164 2,165 2,172 2,174 3,175 7,177 2,178 3,180 3,183 1,185 1,187 4,189 1,190 2,192 2,195 1,197 1,198 2,199 5,201 1,202 3,203 1,204 3,206 1,207 2,209 2,211 1,212 2,217 2,220 2,222 1,223 1,224 5,226 2,227 3,228 1,229 3,231 1,232 2,234 2,236 2,237 2,242 1,245 1,247 1,250 1,252 2,253 2,255 2,258 2,260 2,262 1,263 3,265 1,266 1,271 1,275 729,276 15.24,277 15.24,278 15.24,279 15.24,280 15.24,281 12.921,282 18.171,283 8.966,284 15.791,285 12.349,286 12.349,287 12.349,288 12.349,289 12.349,290 8.983,291 27.589,292 4.295,293 13.333,294 3.484,295 1.398,296 0.542,297 0.243,298 0.243,299 0.243,300 3.867,302 1,304 1,305 1,306 428,307 2.236,311 213.38,318 1.289,319 23.013,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 50.333,331 202,332 4.424,333 3.178,334 6.527,335 4.02,336 3.066,337 4.106,338 0.4,339 10.308,340 2.929,341 4.211,342 3.09,343 5.953,344 3.747,345 2.823,346 3.867,348 8.352,349 2.605,350 3.971,351 2.742,352 5.56,353 3.492,354 2.575,355 3.556,357 7.465,358 2.357,359 3.504,360 2.412,361 5.223,362 3.108,363 2.182,364 2.816,366 6.458,367 1.989,368 3.232,369 2.086,370 4.847,371 2.797,372 1.879,373 2.504,375 5.265,376 1.724,377 3.223,378 1.907,379 4.618,380 2.746,381 1.819,382 2.481,384 4.963,385 1.68,386 2.862,387 1.696,388 4.045,389 2.39,390 1.414,391 2.018,393 3.527,394 1.377,395 2.819,396 1.46,397 3.953,398 2.308,399 1.414,400 1.947,402 3.231,403 1.222,404 2.55,405 1.067,406 3.593,407 1.999,408 1.058,409 1.575,411 2.697,412 0.993,413 1.586,414 0.752,415 2.985,416 1.176,417 0.324,418 0.393,420 0.763,421 0.25,422 1.205,423 0.156,424 2.637,425 0.803,426 -0.077,427 -0.094,428 -0.186,429 -0.064,430 1,431 -0.126,432 2.382,433 0.572,434 -0.347,435 -0.445,436 -0.891,437 -0.318,438 0.906,439 -0.262,440 2.377,441 0.491,442 -0.437,443 -0.555,445 -1.138,446 -0.405,447 0.745,448 -0.406,449 2.213,450 0.34,451 -0.601,452 -0.735,454 -1.491,455 -0.554,456 0.607,457 -0.565,458 2,459 0.166,460 -0.779,461 -1.006,463 -1.933,464 -0.673,465 10.914,466 0.475,467 0.647,468 0.028,469 35.75,470 1.554,471 19.5,472 0.848,473 16.25,474 0.707,475 14.332,476 0.623,477 23.886,478 0.663,479 24.723,480 1.075,481 7.071,482 0.307,483 3.954,484 0.172,485 0.185,487 0.366,493 1.058,494 1.417,495 0.6,496 0.85,497 1.202,498 0.753,499 0.557,500 1.087,501 0.552,502 0.904,503 0.48,504 0.804,505 1.163,506 1.193,507 0.85,508 0.906,509 0.971,510 0.914,511 1.046,512 0.972,513 1.247,514 1.137,515 0.903,516 1.094,517 1.143,518 1.08,519 0.807,520 0.914,521 1.153,522 1,523 0.621,524 1.083,525 0.745,526 1.101,527 0.631,528 1.067,529 1.161,530 0.836,531 0.893,532 0.805,533 1.102,534 0.952,535 0.735,536 1.075,537 0.854,538 1.093,539 0.837,540 1.105,541 5.5,542 0.095,543 2.444,544 1.75,545 1.209,546 0.736,547 0.445,548 0.408,549 0.238,550 0.157,551 5267,552 18416,553 2.041,554 36.1,556 3,558 2,559 5,560 3,564 1.661,565 1.89,566 3.14,567 2.803,568 1,569 1,571 1,573 60.709,574 1.686,575 3.772,576 4.628,577 4.927,578 4.927,579 4.927,580 2.525,581 4.263,582 4.498,583 3.276,584 828.947,585 7.761,586 9344.84,587 1,588 1,591 186.117,592 1.478,593 4.443,594 0.22,595 0.012,596 0.07,597 0.05,598 0.039,599 0.025,600 0.015,601 0.017,602 0.013,603 0.012,604 0.472,605 0.33,606 1,607 0.636,608 106.557,609 -0.264,610 -0.215,611 -0.015,612 0.033,613 -0.371,614 0.06,615 0.303,616 0.033,617 0.164,618 0.011,619 0.28,620 0.073,621 -0.192,622 -0.099,623 -0.051,624 -0.017,625 -0.114,626 -0.059,627 -0.036,628 0.031,629 -0.227,630 -0.165,631 -0.006,632 -0.151,633 -0.263,634 -0.004,635 -0.161,636 -0.048,637 -0.301,638 -0.125,639 0.18,640 -0.108,641 0.044,642 -0.125,643 0.173,644 -0.064,645 -0.19,646 0.122,647 -0.054,648 0.106,649 -0.169,650 0.006,651 0.121,652 -0.2,653 0.154,654 -0.044,655 0.162,656 -0.019,657 1.514,658 1.759,659 0.783,660 16.491,661 1.022,662 1.144,663 2.16,664 4.666,665 0.7,666 3.258,667 3.584,668 3.807,669 4.06,670 4.277,671 4.29,672 4.317,673 4.431,674 4.431,675 4.419,676 5.413,677 0.683,678 328.8,679 3.258,680 4.796,681 5.631,682 6.506,683 7.358,684 8.236,685 9.095,686 9.974,687 10.836,688 11.715,689 22.2,693 2,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 2,724 1,730 1,731 36,733 18,735 25,737 38,738 14,739 13,746 3,747 3,748 1,752 1,761 13,762 1,777 1,778 1,781 13,782 8,783 5,784 9,785 1,790 8,794 1,805 2,812 3,840 3,844 1,845 1,848 23,849 2,855 1,869 1,877 12.167,878 6.726,879 5,880 1.854,881 3.499,882 1.507,883 1.009,884 4.234,885 10.405,886 3.555,887 4.197,888 4.751,889 5.328,890 5.881,891 6.047,892 6.36,893 6.785,894 7.103,895 7.388,896 0.833,897 35,898 8.361,900 3.486,901 7.889,902 15.452,904 12.069,905 2.389,906 54.944,910 94.169,911 76.002,912 167.733,913 39.149,917 76.002,918 133.317,919 167.733,920 8.825,922 94.223,923 107.47,924 49.461,925 46.447,926 70.627,928 94.169,929 243.735,931 39.149,933 98.825,937 46.83,938 108.322,939 83.928,940 39.149,941 94.169,942 167.733,943 115.151,946 94.169,947 20.654,948 55.349,949 18.011,950 188.871,951 94.169,952 167.733,953 115.151,955 0.586,956 0.333,957 0.179,958 0.099,959 17,960 8,961 0.079,962 3,964 1,965 3.454,966 183.105,968 18,969 104.042,974 15.404,975 6.322,976 3.47,978 167.733,979 8.488,980 20.717,984 3.594,986 83.805,987 377.053,988 34,999 36.789,1000 41.176,1001 0.326,1002 0.73,1003 0.895,1004 0.953,1005 0.953,1006 0.953,1007 4.775,1008 1.414,1009 5.624,1010 3.527,1011 4.263,1012 4.883,1013 0.278,1014 6.412,1015 4.117,1016 6.003,1017 1.058,1018 7.171,1019 3.231,1020 3.892,1021 4.691,1023 7.235,1024 3.661,1025 7.313,1026 0.324,1027 8.812,1028 2.697,1029 5.838,1030 7.093,1031 0.05,1032 10.32,1033 5.566,1034 8.653,1035 -0.077,1036 10.508,1037 0.763,1038 6.217,1039 7.636,1041 11.947,1042 5.866,1043 10.02,1044 -0.347,1045 12.237,1046 -0.186,1047 7.675,1048 9.546,1049 0.008,1050 14.557,1051 7.289,1052 11.405,1053 -0.437,1054 13.991,1055 -0.891,1056 8.417,1057 10.462,1059 16.554,1060 7.966,1061 12.805,1062 -0.601,1063 15.764,1064 -1.138,1065 9.666,1066 12.134,1067 0.001,1068 18.983,1069 9.176,1070 3.066,1071 -0.779,1072 17.552,1073 -1.491,1074 10.588,1075 13.255,1077 21.156,1078 10.044,1079 2.823,1080 10.308,1081 19.351,1082 -1.933,1083 11.745,1084 14.799,1086 23.516,1087 11.16,1088 2.575,1089 8.352,1090 21.161,1091 4.106,1092 12.757,1093 16.036,1095 25.771,1096 12.123,1097 2.182,1098 7.465,1099 22.979,1100 3.867,1101 13.876,1102 17.511,1104 28.107,1105 13.201,1106 1.879,1107 6.458,1108 24.804,1109 3.556,1110 14.931,1111 18.813,1113 30.4,1114 14.212,1115 1.819,1116 5.265,1117 26.635,1118 2.816,1119 16.036,1120 20.251,1122 32.729,1123 15.276,1124 1.414,1125 4.963,1126 28.472,1127 2.504,1128 17.114,1129 21.591,1131 35.042,1132 16.311,1133 5184,1134 9828,1135 16.414,1136 25.188,1137 37.568,1138 37.715,1139 38.608,1140 37.17,1141 37.11,1142 50.53,1143 0.8,1144 106.059,1145 34.252,1146 5.207,1147 5.178,1148 6.208,1149 5.12,1150 5.066,1151 7.106,1152 0.8,1153 17.196,1154 4.873,1155 12.066,1156 1.503,1157 1.509,1158 1.544,1159 1.487,1160 1.484,1161 2.021,1162 0.032,1163 4.242,1164 1.37,1165 3.988,1166 4.035,1167 4.016,1168 3.854,1169 5.262,1170 3.872,1171 3.849,1172 3.895,1173 3.905,1174 3.724,1175 5.197,1176 3.736,1177 3.694,1178 3.754,1179 3.66,1180 3.495,1181 4.899,1182 3.527,1183 3.172,1184 3.278,1185 3.347,1186 2.966,1187 4.764,1188 2.968,1189 3.137,1190 3.223,1191 2.993,1192 2.924,1193 4.672,1194 2.929,1195 2.964,1196 3.056,1197 2.91,1198 2.749,1199 4.363,1200 2.766,1201 2.888,1202 2.99,1203 2.856,1204 2.607,1205 4.03,1206 2.631,1207 2.653,1208 2.724,1209 2.707,1210 2.484,1211 3.901,1212 2.49,1213 0.177,1214 0.127,1215 0.261,1216 0.161,1217 0.123,1218 4.424,1219 0.164,1220 3.178,1221 0.016,1222 6.527,1223 0.412,1224 4.02,1225 0.117,1226 3.066,1227 4.106,1228 0.4,1229 10.308,1230 2.929,1231 1.9,1232 1.863,1233 1.972,1234 2.058,1235 1.027,1236 2.034,1237 1.786,1238 1.751,1239 1.858,1240 1.946,1241 0.904,1242 1.925,1243 1.612,1244 1.55,1245 1.76,1246 1.823,1247 0.765,1248 1.807,1249 1.147,1250 1.056,1251 1.439,1252 1.442,1253 0.343,1254 1.46,1255 1.058,1256 0.988,1257 1.275,1258 1.352,1259 0.18,1260 1.343,1261 0.899,1262 0.821,1263 1.143,1264 1.186,1265 0.037,1266 1.184,1267 0.778,1268 0.686,1269 1.005,1270 1.115,1272 1.097,1273 0.585,1274 0.524,1275 0.88,1276 0.863,1278 0.878,1279 3.932,1281 5.252,1283 6.765,1285 8.367,1287 10.012,1289 1.745,1290 5.825,1293 11.451,1296 3.124,1305 24.579,1306 60.709,1307 135.779,1308 166.608,1309 177.362,1310 177.362,1311 177.362,1312 30.3,1313 6.906,1314 128.52,1315 128.52,1316 18,1317 12.255,1318 4.248,1319 3.322,1320 36.668,1321 73,1322 74,1323 0.244,1324 159.224,1325 260.43,1326 380.266,1327 8665,1328 2.8,1329 16.397,1330 0.713,1331 0.561,1332 16.897,1333 12.911,1334 11.025,1335 0.441,1336 0.281,1337 6.56,1338 10.283,1339 6.368,1340 5.314,1341 11.314,1342 7.021,1343 10.255,1344 0.293,1345 0.144,1346 10.626,1347 5.051,1348 8.131,1349 0.185,1350 0.074,1351 8.56,1352 3.258,1353 6.81,1354 0.119,1355 0.037,1356 6.961,1357 2.082,1358 5.357,1359 0.075,1360 0.019,1361 5.571,1362 1.35,1363 0.375,1364 72.443,1365 0.247,1366 22.286,1367 0.697,1368 120,1369 383.386,1370 150.213,1371 411.249,1372 558.24,1373 382,1374 139,1375 402.187,1376 164.413,1377 418.362,1378 608.28,1379 392,1380 6.444}
{0 CHEMBL2206912,1 2.014,2 12.485,3 3.123,4 9.753,5 120.769,6 9.938,7 0.667,8 4.04,9 4.14,10 3.954,11 3.611,12 5.3,13 3.613,14 4.511,15 4.641,16 4.292,17 3.955,18 6.024,19 3.954,20 4.717,21 4.876,22 4.366,23 4.071,24 6.087,25 4.053,26 4.756,27 4.92,28 4.363,29 4.053,30 6.132,31 4.018,32 4.752,33 4.918,34 4.375,35 4.021,36 6.195,37 4.027,38 4.725,39 4.898,40 4.291,41 4.048,42 6.25,43 4.014,44 4.76,45 4.971,46 4.174,47 4.001,48 5.998,49 3.946,50 4.601,51 4.8,52 4.137,53 3.901,54 5.883,55 3.828,56 0.227,57 0.906,58 7.142,59 4.002,60 28.755,61 3.54,62 0.578,63 1.353,64 12.338,65 6.595,66 64.945,67 6.706,68 0.725,69 1.58,70 19.065,71 8.16,72 70.905,73 7.272,74 0.843,75 1.505,76 29.674,77 9.413,78 96.795,79 8.572,80 0.956,81 1.469,82 21.388,83 7.521,84 122.186,85 6.835,86 0.889,87 1.492,88 21.05,89 8.726,90 109.376,91 9.905,92 0.866,93 1.419,94 25.051,95 8.128,96 93.69,97 8.669,98 0.645,99 1.241,100 21.525,101 8.111,102 63.788,103 9.257,104 37,105 52,106 0.333,107 0.664,108 0.813,109 0.872,110 0.872,111 0.872,112 3.532,113 0.935,114 -3.9,115 -3.86,116 -3.66,119 40.8,120 1,142 7,143 1,144 4,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 4,174 4,175 7,177 2,178 5,180 3,183 3,187 8,190 2,192 4,195 3,198 2,199 11,201 1,202 3,203 1,204 5,207 2,209 2,211 3,212 4,217 2,220 4,222 1,223 1,224 7,226 1,227 5,228 1,229 3,231 1,232 6,234 1,236 2,237 4,242 3,245 3,249 2,250 3,253 2,255 4,258 2,260 1,262 1,263 7,265 1,266 1,271 3,275 1909,276 21.643,277 21.643,278 21.643,279 21.643,280 21.643,281 18.338,282 22.673,283 12.565,284 22.408,285 17.781,286 17.781,287 17.781,288 17.781,289 17.781,290 12.855,291 29.566,292 6.015,293 19.148,294 3.601,295 1.603,296 0.702,297 0.342,298 0.342,299 0.342,300 4.222,302 1,305 1,306 884,307 3.606,311 441.72,318 1.925,319 52.903,322 1,323 0.67,324 1,325 0.4,327 0.83,328 0.5,329 0.63,330 73.833,331 412,332 4.86,333 4.686,334 7.311,335 4.318,336 3.399,337 4.709,338 0.4,339 12.527,340 3.095,341 4.424,342 3.193,343 6.527,344 4.02,345 3.065,346 4.106,348 10.309,349 2.928,350 4.213,351 3.097,352 6.07,353 3.743,354 2.819,355 3.87,357 8.762,358 2.598,359 3.973,360 2.873,361 5.566,362 3.495,363 2.577,364 3.557,366 7.51,367 2.361,368 3.831,369 2.742,370 5.241,371 3.343,372 2.394,373 3.389,375 6.555,376 2.262,377 3.509,378 2.412,379 5.136,380 3.111,381 2.184,382 2.821,384 6.284,385 1.992,386 3.232,387 2.086,388 4.85,389 2.797,390 1.879,391 2.505,393 5.276,394 1.725,395 3.224,396 1.986,397 4.731,398 2.749,399 1.82,400 2.481,402 4.963,403 1.683,404 3.08,405 1.886,406 4.618,407 2.58,408 1.641,409 2.289,411 4.765,412 1.521,413 2.862,414 1.585,415 4.154,416 2.389,417 1.414,418 2.018,420 3.7,421 1.375,422 2.829,423 1.459,424 3.956,425 2.298,426 1.383,427 1.952,428 3.234,429 1.221,430 2.55,431 1.067,432 3.593,433 2,434 1.058,435 1.575,436 2.697,437 1,438 2.5,439 1,440 3.414,441 1.999,442 1,443 1.5,445 2.275,446 0.993,447 1.622,448 0.773,449 3.216,450 1.2,451 0.352,452 0.429,454 0.842,455 0.27,456 1.3,457 0.621,458 2.982,459 0.953,460 0.024,461 0.029,463 0.065,464 0.021,465 15.7,466 0.476,467 1.05,468 0.032,469 51,470 1.545,471 28.5,472 0.864,473 22.5,474 0.682,475 23.62,476 0.716,477 34.7,478 0.708,479 42.357,480 1.284,481 9.988,482 0.303,483 5.72,484 0.173,485 0.163,486 0.053,487 0.318,491 1,493 0.672,494 1.253,495 0.666,496 1.094,497 0.716,498 0.798,499 0.56,500 1.022,501 0.686,502 0.952,503 0.543,504 0.869,505 1.159,506 1.129,507 1.004,508 1.007,509 1.036,510 0.95,511 1.182,512 0.984,513 1.207,514 1.149,515 1.178,516 1.061,517 1.021,518 0.866,519 0.835,520 0.847,521 1.106,522 0.88,523 0.487,524 0.938,525 0.847,526 1.006,527 0.425,528 1.045,529 1.042,530 0.811,531 1.073,532 0.801,533 0.871,534 0.983,535 0.76,536 0.96,537 1.017,538 0.957,539 0.62,540 1.026,541 9,542 0.256,543 4.222,544 2.75,545 2.071,546 1.472,547 0.729,548 0.628,549 0.488,550 0.387,551 15168,552 57170,553 2.036,554 32.7,556 7,558 2,559 4,560 3,564 1.754,565 1.877,566 3.598,567 1.693,569 1,573 98.682,574 2.014,575 4.012,576 4.913,577 5.273,578 5.273,579 5.273,580 3.072,581 4.438,582 5.018,583 3.775,584 1992.97,585 8.796,586 29731.6,591 275.121,592 1.628,593 4.954,594 0.25,595 0.008,596 0.081,597 0.052,598 0.041,599 0.029,600 0.014,601 0.015,602 0.013,603 0.011,604 0.514,605 0.17,606 0.75,607 0.6,608 175.037,609 -0.06,610 -0.177,611 0.1,612 -0.076,613 -0.179,614 0.036,615 0.228,616 -0.001,617 0.074,618 -0.022,619 0.21,620 -0.014,621 -0.227,622 -0.078,623 -0.096,624 -0.015,625 -0.129,626 -0.053,627 -0.184,628 -0.027,629 -0.125,630 -0.093,631 -0.144,632 -0.111,633 -0.069,634 -0.001,635 0.028,636 0.027,637 -0.109,638 0.009,639 0.335,640 0.003,641 0.028,642 -0.082,643 0.337,644 -0.074,645 -0.204,646 0.048,647 -0.085,648 0.087,649 -0.157,650 0.01,651 0.038,652 -0.102,653 0.08,654 0.029,655 0.058,656 0.029,657 4.945,658 5.651,659 0.727,660 32.226,661 1.037,662 1.136,663 2.669,664 7.121,665 0.718,666 3.611,667 3.97,668 4.19,669 4.443,670 4.682,671 4.727,672 4.745,673 4.883,674 4.963,675 5.024,676 7.383,677 0.707,678 486.96,679 3.611,680 5.176,681 6.019,682 6.909,683 7.769,684 8.661,685 9.528,686 10.42,687 11.29,688 12.182,689 16.3,693 1,694 1,697 1,699 5,702 1,704 9,705 5,709 10,711 24,722 1,724 1,730 2,731 49,733 26,734 1,735 36,737 52,738 20,739 19,740 2,741 4,746 4,747 4,748 1,752 1,761 19,762 1,766 2,769 1,771 2,779 1,781 16,782 11,783 4,784 13,785 2,790 8,794 1,795 2,805 2,812 4,840 4,842 1,844 1,845 1,846 1,848 33,849 1,852 1,855 2,869 2,870 4.1,873 2,877 17.583,878 9.119,879 7.042,880 2.563,881 4.519,882 1.573,883 1.018,884 6.384,885 12.405,886 3.932,887 4.605,888 5.124,889 5.692,890 6.248,891 6.451,892 6.726,893 7.114,894 7.457,895 7.789,896 1,897 53,898 12.454,900 5.713,901 8.157,902 22.116,904 17.896,905 2.657,906 87.694,910 141.253,911 130.387,912 151.241,913 39.149,914 44.313,915 14.96,916 5.807,917 124.579,918 224.715,919 166.201,920 8.825,922 105.038,923 168.188,924 60.132,925 61.408,926 117.711,928 141.253,929 275.82,930 59.273,931 44.956,933 160.869,934 44.313,937 46.83,938 124.001,939 106.14,940 39.149,941 156.213,942 195.554,943 169.535,945 5.807,946 141.253,947 31.325,948 93.254,949 34.416,950 215.247,951 141.253,952 210.514,953 169.535,955 0.594,956 0.334,957 0.176,958 0.101,959 25,960 12,961 0.115,962 6,964 1,965 4.274,966 307.354,968 24,969 160.465,973 1,974 22.804,975 9.238,976 5.343,978 210.514,979 12.238,980 20.728,984 1.379,986 67.313,987 521.302,988 50,991 -4.028,993 25.301,999 50.8,1000 55.685,1001 0.359,1002 0.715,1003 0.875,1004 0.939,1005 0.939,1006 0.939,1007 5.176,1008 1.82,1009 6.047,1010 5.276,1011 4.654,1012 5.293,1013 0.278,1014 6.889,1015 4.51,1016 6.436,1017 1.641,1018 7.634,1019 4.963,1020 4.443,1021 5.338,1023 8.021,1024 4.188,1025 7.787,1026 1.414,1027 9.328,1028 4.765,1029 6.323,1030 7.606,1031 0.05,1032 11.056,1033 6.035,1034 9.175,1035 1.383,1036 11.089,1037 3.7,1038 6.878,1039 8.417,1041 13.029,1042 6.471,1043 10.595,1044 1.058,1045 12.896,1046 3.234,1047 8.304,1048 10.226,1049 0.008,1050 15.67,1051 7.861,1052 12.039,1053 1,1054 14.737,1055 2.697,1056 9.207,1057 11.397,1059 17.975,1060 8.65,1061 13.504,1062 0.352,1063 16.604,1064 2.275,1065 10.469,1066 13.027,1067 0.001,1068 20.509,1069 9.859,1070 3.399,1071 0.024,1072 18.493,1073 0.842,1074 11.531,1075 14.375,1077 22.942,1078 10.815,1079 3.065,1080 12.527,1081 20.398,1082 0.065,1083 12.737,1084 15.934,1086 25.453,1087 11.954,1088 2.819,1089 10.309,1090 22.317,1091 4.709,1092 13.871,1093 17.37,1095 27.935,1096 12.989,1097 2.577,1098 8.762,1099 24.247,1100 4.106,1101 15.063,1102 18.904,1104 30.445,1105 14.103,1106 2.394,1107 7.51,1108 26.186,1109 3.87,1110 16.231,1111 20.388,1113 32.948,1114 15.175,1115 2.184,1116 6.555,1117 28.133,1118 3.557,1119 17.424,1120 21.916,1122 35.462,1123 16.282,1124 1.879,1125 6.284,1126 30.086,1127 3.389,1128 18.61,1129 23.424,1131 37.975,1132 17.373,1133 14539,1134 28472,1135 23.463,1136 35.205,1137 54.525,1138 56.018,1139 56.066,1140 54.154,1141 54.02,1142 74.461,1143 0.8,1144 159.527,1145 50.091,1146 5.702,1147 6.686,1148 6.993,1149 5.418,1150 5.399,1151 7.709,1152 0.8,1153 19.918,1154 5.095,1155 18.819,1156 1.515,1157 1.556,1158 1.557,1159 1.504,1160 1.501,1161 2.068,1162 0.022,1163 4.431,1164 1.391,1165 4.094,1166 4.087,1167 4.737,1168 4.069,1169 8.201,1170 3.987,1171 3.966,1172 3.999,1173 3.997,1174 3.841,1175 7.717,1176 3.855,1177 3.835,1178 3.876,1179 3.902,1180 3.721,1181 6.999,1182 3.732,1183 3.696,1184 3.755,1185 3.719,1186 3.51,1187 5.26,1188 3.528,1189 3.594,1190 3.574,1191 3.659,1192 3.489,1193 5.047,1194 3.434,1195 3.172,1196 3.278,1197 3.346,1198 2.956,1199 4.886,1200 2.953,1201 3.078,1202 3.137,1203 2.993,1204 2.901,1205 4.672,1206 2.908,1207 2.946,1208 3.033,1209 2.883,1210 2.74,1211 4.584,1212 2.755,1213 0.135,1214 0.13,1215 0.203,1216 0.12,1217 0.094,1218 4.86,1219 0.131,1220 4.686,1221 0.011,1222 7.311,1223 0.348,1224 4.318,1225 0.086,1226 3.399,1227 4.709,1228 0.4,1229 12.527,1230 3.095,1231 1.962,1232 1.97,1233 1.975,1234 2.067,1235 1.158,1236 2.076,1237 1.893,1238 1.858,1239 1.96,1240 2.024,1241 1.028,1242 2.022,1243 1.78,1244 1.747,1245 1.847,1246 1.925,1247 0.924,1248 1.909,1249 1.612,1250 1.551,1251 1.76,1252 1.822,1253 0.766,1254 1.807,1255 1.402,1256 1.437,1257 1.439,1258 1.572,1259 0.532,1260 1.602,1261 1.147,1262 1.055,1263 1.231,1264 1.442,1265 0.34,1266 1.46,1267 0.994,1268 0.941,1269 1.181,1270 1.223,1271 0.218,1272 1.219,1273 0.886,1274 0.821,1275 1.139,1276 1.156,1277 0.159,1278 1.143,1279 4.29,1281 5.638,1283 7.172,1285 8.79,1287 10.449,1289 1.688,1290 6.098,1291 13.145,1293 5.737,1296 5.408,1305 34.633,1306 98.682,1307 196.575,1308 240.714,1309 258.366,1310 258.366,1311 258.366,1312 76.198,1313 7.886,1314 148.67,1315 157.05,1316 24,1317 12.714,1318 4.755,1319 3.907,1320 54.303,1321 147,1322 155,1323 0.179,1324 220.924,1325 375.21,1326 530.814,1327 32333,1328 4.1,1329 23.587,1330 0.715,1331 0.563,1332 23.467,1333 18.563,1334 15.708,1335 0.436,1336 0.312,1337 9.344,1338 13.949,1339 9.001,1340 7.461,1341 16.424,1342 11.217,1343 15.188,1344 0.292,1345 0.168,1346 16.237,1347 8.751,1348 11.805,1349 0.182,1350 0.092,1351 12.865,1352 5.966,1353 9.832,1354 0.117,1355 0.049,1356 10.97,1357 4.114,1358 7.979,1359 0.075,1360 0.027,1361 9.228,1362 2.871,1363 0.282,1364 110.713,1365 0.206,1366 30.612,1367 0.487,1368 176,1369 660.85,1370 251.925,1371 668.219,1372 888.46,1373 614,1374 205,1375 605.778,1376 283.553,1377 652.278,1378 949.22,1379 610,1380 7.796}
{0 CHEMBL2206913,1 1.983,2 9.741,3 1.341,4 1.798,5 100.775,6 9.688,7 0.621,8 3.88,9 3.99,10 3.795,11 3.411,12 5.1,13 3.407,14 4.358,15 4.508,16 4.071,17 3.726,18 5.866,19 3.727,20 4.531,21 4.706,22 4.079,23 3.818,24 5.84,25 3.808,26 4.503,27 4.683,28 4.142,29 3.847,30 5.76,31 3.796,32 4.56,33 4.73,34 4.172,35 3.845,36 6.002,37 3.833,38 4.579,39 4.783,40 3.956,41 3.829,42 5.846,43 3.765,44 4.532,45 4.763,46 3.826,47 3.697,48 5.723,49 3.634,50 4.358,51 4.585,52 3.843,53 3.614,54 5.579,55 3.516,56 0.19,57 0.734,58 7.329,59 3.343,60 22.388,61 3.27,62 0.537,63 1.047,64 16.475,65 5.851,66 61.766,67 6.376,68 0.68,69 1.144,70 15.52,71 5.474,72 72.649,73 5.503,74 0.528,75 1.13,76 23.591,77 7.015,78 47.364,79 7.861,80 0.727,81 1.169,82 16.656,83 5.735,84 78.398,85 6.315,86 0.623,87 1.155,88 24.595,89 7.629,90 50.824,91 9.302,92 0.676,93 1.055,94 19.178,95 5.78,96 66.556,97 6.902,98 0.485,99 0.867,100 18.136,101 6.568,102 47.962,103 8.261,104 39,105 42,106 0.343,107 0.696,108 0.849,109 0.877,110 0.877,111 0.877,112 3.34,113 1.016,114 -2.84,115 -2.84,116 -2.75,119 35.7,120 1,124 1,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 7,177 2,178 5,180 3,183 1,187 4,190 2,192 2,195 1,198 2,199 7,201 1,202 3,203 1,204 3,207 2,209 2,211 3,212 4,217 2,220 2,222 1,223 1,224 5,226 1,227 5,228 1,229 3,231 1,232 2,234 1,236 2,237 2,242 1,245 1,249 2,250 3,253 2,255 2,258 2,260 1,262 1,263 5,265 1,266 1,271 1,275 1104,276 17.342,277 17.342,278 17.342,279 17.342,280 17.342,281 14.7,282 19.881,283 10.095,284 17.982,285 14.364,286 14.364,287 14.364,288 14.364,289 14.364,290 10.402,291 28.564,292 4.87,293 15.507,294 3.41,295 1.369,296 0.482,297 0.322,298 0.322,299 0.322,300 4.015,302 1,304 1,305 1,306 549,307 3.464,311 260.801,318 1.473,319 37.275,322 1,323 0.83,324 1,325 0.4,327 0.83,328 0.5,329 0.65,330 60.333,331 263,332 4.654,333 4.312,334 6.529,335 4.101,336 3.168,337 4.449,338 0.4,339 10.346,340 2.946,341 4.423,342 3.186,343 6.5,344 4.015,345 3.061,346 4.105,348 10.289,349 2.913,350 4.191,351 3.094,352 5.963,353 3.692,354 2.768,355 3.851,357 8.502,358 2.552,359 3.971,360 2.742,361 5.563,362 3.487,363 2.57,364 3.556,366 7.494,367 2.352,368 3.506,369 2.412,370 5.23,371 3.104,372 2.18,373 2.819,375 6.511,376 1.982,377 3.232,378 2.086,379 4.848,380 2.797,381 1.879,382 2.504,384 5.271,385 1.724,386 3.224,387 1.918,388 4.618,389 2.747,390 1.819,391 2.481,393 4.963,394 1.681,395 2.863,396 1.803,397 4.196,398 2.391,399 1.438,400 2.019,402 3.809,403 1.378,404 2.84,405 1.465,406 3.957,407 2.327,408 1.414,409 1.97,411 3.234,412 1.234,413 2.55,414 1.067,415 3.593,416 1.999,417 1.058,418 1.575,420 2.697,421 0.993,422 1.622,423 0.807,424 3.154,425 1.202,426 0.356,427 0.432,428 0.851,429 0.272,430 1.3,431 0.661,432 2.98,433 0.954,434 0.025,435 0.03,436 0.068,437 0.022,438 1,439 0.164,440 2.635,441 0.574,442 -0.347,443 -0.445,445 -0.891,446 -0.317,447 1,448 -0.126,449 2.382,450 0.555,451 -0.365,452 -0.461,454 -1.012,455 -0.322,456 0.981,457 -0.227,458 2.322,459 0.398,460 -0.514,461 -0.625,463 -1.279,464 -0.447,465 12.914,466 0.478,467 0.963,468 0.036,469 41.25,470 1.528,471 22.5,472 0.833,473 18.75,474 0.694,475 19.003,476 0.704,477 29.086,478 0.693,479 31.396,480 1.163,481 7.913,482 0.293,483 4.797,484 0.178,485 0.215,486 0.065,487 0.31,493 0.742,494 1.562,495 0.69,496 1.188,497 0.814,498 0.852,499 0.542,500 1.135,501 0.847,502 1.102,503 0.474,504 0.858,505 1.437,506 1.013,507 0.866,508 0.675,509 1.394,510 0.853,511 0.806,512 1.05,513 0.954,514 1.041,515 0.66,516 1.013,517 0.952,518 1.097,519 0.814,520 0.909,521 0.908,522 0.998,523 0.712,524 1.048,525 1.072,526 1.115,527 0.58,528 1.133,529 1.12,530 0.857,531 0.842,532 0.746,533 0.996,534 0.978,535 0.588,536 0.954,537 0.702,538 0.839,539 0.548,540 0.896,541 8,542 0.206,543 2.667,544 2.25,545 1.729,546 1.035,547 0.606,548 0.502,549 0.374,550 0.311,551 8059,552 31582,553 1.984,554 35.7,556 6,558 2,559 4,560 3,564 1.704,565 1.81,566 3.29,567 1.881,568 1,569 1,573 83.271,574 1.983,575 4.024,576 4.91,577 5.071,578 5.071,579 5.071,580 2.654,581 4.357,582 4.73,583 3.471,584 1218.45,585 8.225,586 15644.9,588 1,591 226.477,592 1.698,593 4.65,594 0.276,595 0.011,596 0.063,597 0.056,598 0.043,599 0.025,600 0.016,601 0.017,602 0.013,603 0.012,604 0.534,605 0.17,606 0.88,607 1.011,608 133.116,609 -0.075,610 -0.306,611 0.115,612 -0.111,613 -0.243,614 0.02,615 0.335,616 -0.003,617 0.006,618 -0.094,619 0.373,620 0.039,621 -0.397,622 0.033,623 -0.121,624 0.142,625 -0.345,626 -0.009,627 0.008,628 -0.006,629 0.02,630 -0.061,631 0.004,632 -0.051,633 0.008,634 -0.051,635 -0.025,636 -0.075,637 0.022,638 -0.13,639 0.09,640 -0.075,641 -0.132,642 -0.178,643 0.073,644 -0.131,645 -0.23,646 0.105,647 -0.059,648 0.088,649 -0.199,650 -0.029,651 0.213,652 -0.049,653 0.274,654 0.161,655 0.177,656 0.19,657 4.425,658 4.461,659 0.667,660 22.255,661 1.033,662 1.141,663 1.605,664 2.577,665 0.703,666 3.401,667 3.761,668 3.912,669 4.205,670 4.431,671 4.443,672 4.489,673 4.644,674 4.654,675 4.682,676 6.188,677 0.684,678 406.9,679 3.401,680 4.963,681 5.784,682 6.678,683 7.52,684 8.414,685 9.265,686 10.157,687 11.013,688 11.903,689 19,693 1,694 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,730 1,731 42,733 20,735 29,737 44,738 15,739 13,746 3,747 3,748 1,752 1,761 13,762 2,766 2,769 1,771 2,778 1,781 15,782 10,783 4,784 12,785 2,790 8,794 1,795 2,805 2,812 3,840 3,842 1,844 2,845 1,848 27,849 1,852 1,855 2,869 1,870 4.8,873 2,877 14.917,878 8.143,879 5.708,880 2.097,881 3.71,882 1.512,883 0.994,884 5.418,885 10.954,886 3.714,887 4.388,888 4.818,889 5.426,890 5.984,891 6.174,892 6.503,893 6.952,894 7.235,895 7.543,896 1,897 40,898 10.058,900 4.437,901 8.106,902 18.092,904 14.361,905 2.606,906 70.361,910 129.482,911 89,912 151.241,913 39.149,914 44.313,916 5.807,917 83.193,918 212.944,919 151.241,920 16.016,922 67.133,923 168.188,924 49.461,925 46.447,926 105.94,928 129.482,929 234.433,930 44.313,931 44.956,933 134.138,934 44.313,937 46.83,938 82.615,939 106.14,940 39.149,941 129.482,942 195.554,943 128.149,945 5.807,946 129.482,947 20.654,948 62.539,949 34.416,950 200.286,951 129.482,952 195.554,953 128.149,955 0.594,956 0.309,957 0.172,958 0.102,959 20,960 10,961 0.114,962 5,964 1,965 3.727,966 228.279,968 18,969 126.382,973 1,974 19.235,975 7.605,976 5.009,978 195.554,979 8.028,980 20.625,984 2.561,986 67.313,987 453.185,988 40,991 -3.509,993 22.922,999 43.404,1000 47.93,1001 0.368,1002 0.746,1003 0.911,1004 0.94,1005 0.94,1006 0.94,1007 4.959,1008 1.438,1009 5.826,1010 4.963,1011 4.443,1012 5.075,1013 0.278,1014 6.65,1015 4.295,1016 6.228,1017 1.414,1018 7.398,1019 3.809,1020 4.29,1021 5.198,1023 7.727,1024 4.052,1025 7.584,1026 1.058,1027 9.07,1028 3.234,1029 6.107,1030 7.392,1031 0.05,1032 10.689,1033 5.828,1034 8.973,1035 0.356,1036 10.798,1037 2.697,1038 6.661,1039 8.225,1041 12.494,1042 6.293,1043 10.389,1044 0.025,1045 12.559,1046 0.851,1047 8.05,1048 9.989,1049 0.008,1050 15.046,1051 7.641,1052 11.823,1053 -0.347,1054 14.344,1055 0.068,1056 8.914,1057 11.139,1059 17.149,1060 8.426,1061 13.272,1062 -0.365,1063 16.146,1064 -0.891,1065 10.14,1066 12.732,1067 0.001,1068 19.557,1069 9.604,1070 3.168,1071 -0.514,1072 17.96,1073 -1.012,1074 11.146,1075 14.035,1077 21.788,1078 10.539,1079 3.061,1080 10.346,1081 19.783,1082 -1.279,1083 12.307,1084 15.553,1086 24.144,1087 11.646,1088 2.768,1089 10.289,1090 21.615,1091 4.449,1092 13.379,1093 16.933,1095 26.429,1096 12.651,1097 2.57,1098 8.502,1099 23.452,1100 4.105,1101 14.517,1102 18.419,1104 28.767,1105 13.731,1106 2.18,1107 7.494,1108 25.295,1109 3.851,1110 15.62,1111 19.839,1113 31.077,1114 14.769,1115 1.879,1116 6.511,1117 27.142,1118 3.556,1119 16.751,1120 21.313,1122 33.41,1123 15.84,1124 1.819,1125 5.271,1126 28.993,1127 2.819,1128 17.869,1129 22.756,1131 35.731,1132 16.894,1133 8009,1134 16046,1135 18.493,1136 29.506,1137 43.808,1138 45.488,1139 44.74,1140 43.537,1141 43.472,1142 59.583,1143 0.8,1144 128.068,1145 40.096,1146 5.456,1147 6.312,1148 6.21,1149 5.201,1150 5.168,1151 7.449,1152 0.8,1153 17.235,1154 4.89,1155 16.557,1156 1.511,1157 1.569,1158 1.543,1159 1.501,1160 1.499,1161 2.055,1162 0.028,1163 4.416,1164 1.383,1165 4.032,1166 4.053,1167 4.717,1168 3.963,1169 7.718,1170 3.899,1171 3.941,1172 3.955,1173 3.996,1174 3.827,1175 6.999,1176 3.803,1177 3.776,1178 3.798,1179 3.9,1180 3.673,1181 5.259,1182 3.631,1183 3.683,1184 3.723,1185 3.659,1186 3.493,1187 5.046,1188 3.524,1189 3.172,1190 3.278,1191 3.346,1192 2.957,1193 4.886,1194 2.954,1195 3.085,1196 3.15,1197 2.993,1198 2.905,1199 4.672,1200 2.912,1201 2.949,1202 3.038,1203 2.883,1204 2.741,1205 4.371,1206 2.756,1207 2.824,1208 2.929,1209 2.775,1210 2.575,1211 4.03,1212 2.59,1213 0.16,1214 0.149,1215 0.225,1216 0.141,1217 0.109,1218 4.654,1219 0.153,1220 4.312,1221 0.014,1222 6.529,1223 0.357,1224 4.101,1225 0.102,1226 3.168,1227 4.449,1228 0.4,1229 10.346,1230 2.946,1231 1.908,1232 1.88,1233 1.971,1234 2.061,1235 1.058,1236 2.046,1237 1.825,1238 1.813,1239 1.853,1240 1.974,1241 0.993,1242 1.983,1243 1.639,1244 1.645,1245 1.76,1246 1.843,1247 0.858,1248 1.844,1249 1.601,1250 1.547,1251 1.601,1252 1.753,1253 0.765,1254 1.782,1255 1.147,1256 1.055,1257 1.439,1258 1.442,1259 0.345,1260 1.46,1261 1.012,1262 0.952,1263 1.194,1264 1.25,1265 0.233,1266 1.251,1267 0.878,1268 0.804,1269 1.111,1270 1.169,1271 0.059,1272 1.167,1273 0.761,1274 0.668,1275 0.992,1276 1.083,1278 1.087,1279 4.078,1281 5.425,1283 6.944,1285 8.545,1287 10.188,1289 2.727,1290 5.945,1293 5.702,1296 5.36,1305 28.723,1306 83.271,1307 168.993,1308 206.213,1309 212.968,1310 212.968,1311 212.968,1312 53.789,1313 7.244,1314 148.67,1315 157.05,1316 18,1317 12.439,1318 4.392,1319 3.585,1320 46.816,1321 100,1322 83,1323 0.229,1324 187.939,1325 313.82,1326 450.332,1327 13508,1328 2.4,1329 19.604,1330 0.726,1331 0.588,1332 20.354,1333 15.875,1334 12.709,1335 0.438,1336 0.339,1337 7.599,1338 11.087,1339 7.176,1340 5.992,1341 13.925,1342 9.819,1343 12.803,1344 0.305,1345 0.182,1346 14.556,1347 7.632,1348 8.77,1349 0.179,1350 0.084,1351 9.587,1352 4.102,1353 7.734,1354 0.117,1355 0.045,1356 8.51,1357 2.995,1358 6.296,1359 0.076,1360 0.025,1361 7.29,1362 2.077,1363 0.356,1364 92.91,1365 0.233,1366 25.661,1367 0.641,1368 142,1369 506.738,1370 207.413,1371 543.617,1372 721.66,1373 498,1374 162,1375 489.416,1376 229.3,1377 536.405,1378 770.18,1379 498,1380 7.699}
{0 CHEMBL2206914,1 1.937,2 10.483,3 1.831,4 3.351,5 107.986,6 9.412,7 0.563,8 3.976,9 4.086,10 3.864,11 3.528,12 5.141,13 3.518,14 4.464,15 4.615,16 4.164,17 3.855,18 5.875,19 3.825,20 4.649,21 4.83,22 4.206,23 3.934,24 5.914,25 3.914,26 4.653,27 4.829,28 4.193,29 3.93,30 5.95,31 3.885,32 4.636,33 4.813,34 4.233,35 3.938,36 6.021,37 3.922,38 4.658,39 4.845,40 4.135,41 3.972,42 5.906,43 3.91,44 4.698,45 4.932,46 3.943,47 3.856,48 5.849,49 3.778,50 4.461,51 4.679,52 3.903,53 3.732,54 5.646,55 3.631,56 0.182,57 0.806,58 8.476,59 3.804,60 24.474,61 3.925,62 0.533,63 1.173,64 16.223,65 6.661,66 70.229,67 7.506,68 0.631,69 1.294,70 24.269,71 7.48,72 69.2,73 7.835,74 0.732,75 1.25,76 27.509,77 7.717,78 82.432,79 8.049,80 0.733,81 1.275,82 19.937,83 6.498,84 83.888,85 7.543,86 0.546,87 1.297,88 22.843,89 8.333,90 45.289,91 10.188,92 0.785,93 1.218,94 28.97,95 7.332,96 80.405,97 8.953,98 0.477,99 0.999,100 18.587,101 7.001,102 44.387,103 8.718,104 26,105 47,106 0.328,107 0.685,108 0.841,109 0.866,110 0.866,111 0.866,112 3.408,113 0.995,114 -3.32,115 -3.3,116 -3.16,119 37,120 1,121 2,127 1,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 3,174 4,175 7,177 2,178 5,180 3,183 1,187 8,190 2,192 4,195 1,198 2,199 7,201 1,202 3,203 1,204 3,207 2,209 2,211 3,212 4,217 2,220 4,222 1,223 1,224 7,226 1,227 5,228 1,229 3,231 1,232 4,234 1,236 2,237 2,242 3,245 1,249 2,250 3,253 2,255 2,258 2,260 1,262 1,263 7,265 1,266 1,271 3,275 1311,276 19.074,277 19.074,278 19.074,279 19.074,280 19.074,281 16.492,282 21.046,283 10.993,284 19.777,285 15.815,286 15.815,287 15.815,288 15.815,289 15.815,290 11.89,291 28.903,292 5.255,293 17.056,294 3.586,295 1.478,296 0.555,297 0.408,298 0.408,299 0.408,300 4.09,302 1,304 1,305 1,306 658,307 3.536,308 54.907,311 283.523,318 1.57,319 41.108,322 1,323 0.83,324 1,325 0.6,327 0.83,328 0.5,329 0.68,330 64.333,331 304,332 4.827,333 4.707,334 7.329,335 4.351,336 3.432,337 4.582,338 0.4,339 12.581,340 3.125,341 4.424,342 3.193,343 6.527,344 4.02,345 3.065,346 4.105,348 10.309,349 2.929,350 4.208,351 3.097,352 6.073,353 3.748,354 2.824,355 3.86,357 8.773,358 2.604,359 3.972,360 2.743,361 5.566,362 3.495,363 2.577,364 3.556,366 7.511,367 2.36,368 3.511,369 2.412,370 5.241,371 3.149,372 2.202,373 2.821,375 6.553,376 2.094,377 3.232,378 2.12,379 5.029,380 2.993,381 2.023,382 2.505,384 5.744,385 1.92,386 3.226,387 2.086,388 4.847,389 2.797,390 1.879,391 2.481,393 5.266,394 1.724,395 3.196,396 1.902,397 4.618,398 2.745,399 1.818,400 2.222,402 4.963,403 1.679,404 2.863,405 1.696,406 4.186,407 2.39,408 1.421,409 2.018,411 3.767,412 1.377,413 2.832,414 1.462,415 3.957,416 2.318,417 1.414,418 1.952,420 3.234,421 1.23,422 2.55,423 1.067,424 3.593,425 1.999,426 1.058,427 1.575,428 2.697,429 0.993,430 1.622,431 0.772,432 3.322,433 1.202,434 0.354,435 0.43,436 0.847,437 0.271,438 1.3,439 0.53,440 2.984,441 0.955,442 0.024,443 0.029,445 0.067,446 0.022,447 1,448 0.162,449 2.754,450 0.575,451 -0.347,452 -0.425,454 -0.891,455 -0.309,456 1,457 -0.126,458 2.633,459 0.56,460 -0.355,461 -0.445,463 -0.967,464 -0.318,465 13.914,466 0.48,467 0.943,468 0.033,469 42.75,470 1.474,471 22.5,472 0.776,473 20.25,474 0.698,475 21.845,476 0.753,477 31.086,478 0.676,479 32.461,480 1.119,481 7.866,482 0.271,483 5.949,484 0.205,485 0.164,486 0.06,487 0.323,493 0.712,494 1.486,495 0.682,496 1.15,497 0.759,498 0.846,499 0.515,500 1.144,501 0.787,502 1.073,503 0.506,504 0.953,505 1.27,506 1.139,507 1.013,508 0.988,509 1.219,510 0.847,511 1.373,512 0.944,513 1.074,514 0.931,515 1.443,516 0.987,517 0.924,518 1.021,519 0.771,520 0.837,521 0.892,522 0.896,523 0.657,524 1.166,525 0.969,526 1.123,527 0.56,528 1.135,529 1.245,530 0.83,531 1.158,532 0.829,533 1.024,534 0.997,535 0.674,536 0.996,537 0.794,538 0.912,539 0.573,540 1.016,541 8,542 0.218,543 3.278,544 2.667,545 1.684,546 1.09,547 0.663,548 0.495,549 0.367,550 0.311,551 10661,552 36330,553 2.061,554 37,556 4,558 2,559 4,560 3,561 4,564 1.722,565 1.902,566 3.394,567 1.8,568 1,569 1,573 89.11,574 1.937,575 4.046,576 4.969,577 5.116,578 5.116,579 5.116,580 2.748,581 4.306,582 4.833,583 3.565,584 1447.56,585 8.43,586 19584,588 1,590 1,591 254.084,592 1.636,593 4.769,594 0.25,595 0.009,596 0.074,597 0.058,598 0.04,599 0.024,600 0.015,601 0.015,602 0.012,603 0.011,604 0.509,605 0.17,606 0.88,607 0.605,608 146.716,609 -0.051,610 -0.24,611 0.118,612 -0.082,613 -0.184,614 0.036,615 0.348,616 -0.018,617 0.06,618 -0.068,619 0.327,620 -0.045,621 -0.234,622 -0.077,623 -0.069,624 0.011,625 -0.175,626 0.066,627 -0.238,628 0.072,629 -0.102,630 0.021,631 -0.238,632 -0.076,633 0.049,634 0.022,635 0.038,636 0.012,637 0.052,638 -0.009,639 0.124,640 -0.155,641 -0.064,642 -0.187,643 0.078,644 -0.161,645 -0.272,646 0.11,647 -0.166,648 0.046,649 -0.209,650 -0.032,651 0.125,652 -0.042,653 0.136,654 0.06,655 0.121,656 0.014,657 4.388,658 5.222,659 0.724,660 25.386,661 1.028,662 1.138,663 2.086,664 4.351,665 0.701,666 3.497,667 3.871,668 4.06,669 4.317,670 4.5,671 4.554,672 4.615,673 4.754,674 4.796,675 4.852,676 6.55,677 0.679,678 432.94,679 3.497,680 5.069,681 5.922,682 6.821,683 7.69,684 8.59,685 9.465,686 10.365,687 11.243,688 12.141,689 17.4,693 1,694 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,730 1,731 46,733 20,735 32,737 49,738 17,739 13,746 4,747 4,748 1,752 1,755 3,758 3,761 13,762 4,766 2,769 1,771 2,778 1,781 17,782 10,783 4,784 12,785 2,790 8,794 1,795 2,805 2,809 1,812 3,840 4,842 1,844 1,845 1,848 29,849 1,852 1,854 2,855 2,858 1,869 1,870 4.3,873 2,877 15.25,878 8.476,879 6.125,880 2.569,881 3.7,882 1.493,883 1.009,884 5.256,885 11.203,886 3.784,887 4.449,888 4.911,889 5.477,890 6.004,891 6.211,892 6.547,893 6.992,894 7.29,895 7.598,896 0.857,897 46,898 10.878,900 4.958,901 8.007,902 19.884,904 16.607,905 2.507,906 72.694,910 153.024,911 86.879,912 151.241,913 39.149,914 44.313,916 5.807,917 81.072,918 236.486,919 151.241,920 8.825,921 5.069,922 67.133,923 168.188,924 49.461,925 46.447,926 129.482,928 153.024,929 232.312,930 44.313,931 44.956,933 110.596,934 91.397,937 51.899,938 75.425,939 106.14,940 39.149,941 153.024,942 195.554,943 126.028,945 5.807,946 153.024,947 25.723,948 55.349,949 34.416,950 200.286,951 153.024,952 195.554,953 126.028,955 0.598,956 0.326,957 0.174,958 0.093,959 24,960 11,961 0.122,962 6,964 1,965 4.003,966 259.106,968 21,969 136.881,973 1,974 19.77,975 7.71,976 4.728,978 195.554,979 8.154,980 20.815,984 2.726,986 67.313,987 474.605,988 43,991 -3.472,993 24.445,999 47.287,1000 52.345,1001 0.351,1002 0.732,1003 0.9,1004 0.926,1005 0.926,1006 0.926,1007 5.047,1008 1.818,1009 5.958,1010 5.266,1011 4.554,1012 5.136,1013 0.278,1014 6.819,1015 4.409,1016 6.313,1017 1.421,1018 7.56,1019 4.963,1020 4.443,1021 5.263,1023 8.021,1024 4.215,1025 7.674,1026 1.414,1027 9.27,1028 3.767,1029 6.26,1030 7.446,1031 0.05,1032 11.037,1033 5.967,1034 9.07,1035 1.058,1036 11.045,1037 3.234,1038 6.878,1039 8.305,1041 13.036,1042 6.492,1043 10.497,1044 0.354,1045 12.865,1046 2.697,1047 8.281,1048 10.066,1049 0.008,1050 15.68,1051 7.829,1052 11.947,1053 0.024,1054 14.717,1055 0.847,1056 9.224,1057 11.252,1059 17.994,1060 8.676,1061 13.415,1062 -0.347,1063 16.594,1064 0.067,1065 10.482,1066 12.851,1067 0.001,1068 20.535,1069 9.863,1070 3.432,1071 -0.355,1072 18.49,1073 -0.891,1074 11.57,1075 14.192,1077 22.973,1078 10.855,1079 3.065,1080 12.581,1081 20.401,1082 -0.967,1083 12.782,1084 15.724,1086 25.489,1087 11.988,1088 2.824,1089 10.309,1090 22.326,1091 4.582,1092 13.935,1093 17.141,1095 27.976,1096 13.047,1097 2.577,1098 8.773,1099 24.261,1100 4.105,1101 15.136,1102 18.649,1104 30.492,1105 14.163,1106 2.202,1107 7.511,1108 26.204,1109 3.86,1110 16.319,1111 20.105,1113 32.999,1114 15.252,1115 2.023,1116 6.553,1117 28.155,1118 3.556,1119 17.523,1120 21.605,1122 35.519,1123 16.365,1124 1.879,1125 5.744,1126 30.112,1127 2.821,1128 18.722,1129 23.084,1131 38.037,1132 17.469,1133 10149,1134 18940,1135 20.978,1136 32.267,1137 48.676,1138 50.06,1139 50.167,1140 48.194,1141 48.187,1142 64.276,1143 0.8,1144 144.624,1145 44.656,1146 5.771,1147 6.707,1148 7.01,1149 5.452,1150 5.432,1151 7.582,1152 0.8,1153 20.087,1154 5.07,1155 15.689,1156 1.521,1157 1.564,1158 1.568,1159 1.506,1160 1.506,1161 2.009,1162 0.025,1163 4.52,1164 1.395,1165 4.115,1166 4.109,1167 4.747,1168 4.084,1169 7.716,1170 3.987,1171 3.97,1172 4.009,1173 3.997,1174 3.842,1175 6.999,1176 3.853,1177 3.826,1178 3.871,1179 3.901,1180 3.71,1181 5.26,1182 3.718,1183 3.692,1184 3.751,1185 3.66,1186 3.494,1187 5.046,1188 3.526,1189 3.438,1190 3.443,1191 3.473,1192 3.303,1193 4.886,1194 3.233,1195 3.172,1196 3.278,1197 3.345,1198 2.955,1199 4.672,1200 2.95,1201 3.07,1202 3.127,1203 2.993,1204 2.894,1205 4.372,1206 2.898,1207 2.944,1208 3.031,1209 2.883,1210 2.737,1211 4.179,1212 2.751,1213 0.151,1214 0.147,1215 0.229,1216 0.136,1217 0.107,1218 4.827,1219 0.143,1220 4.707,1221 0.013,1222 7.329,1223 0.393,1224 4.351,1225 0.098,1226 3.432,1227 4.582,1228 0.4,1229 12.581,1230 3.125,1231 1.906,1232 1.877,1233 1.97,1234 2.06,1235 1.105,1236 2.041,1237 1.819,1238 1.806,1239 1.851,1240 1.966,1241 1.015,1242 1.965,1243 1.623,1244 1.631,1245 1.76,1246 1.835,1247 0.891,1248 1.826,1249 1.585,1250 1.547,1251 1.513,1252 1.709,1253 0.825,1254 1.752,1255 1.153,1256 1.064,1257 1.44,1258 1.442,1259 0.765,1260 1.46,1261 1.147,1262 1.055,1263 1.437,1264 1.376,1265 0.348,1266 1.429,1267 1.009,1268 0.951,1269 1.189,1270 1.238,1271 0.269,1272 1.236,1273 0.877,1274 0.805,1275 1.109,1276 1.164,1277 0.079,1278 1.158,1279 4.174,1280 1.946,1281 5.533,1282 3.714,1283 7.079,1284 5.533,1285 8.708,1286 7.372,1287 10.378,1289 1.715,1290 6.07,1293 5.731,1295 1.286,1296 5.604,1299 -0.38,1305 31.249,1306 89.11,1307 186.11,1308 228.574,1309 235.329,1310 235.329,1311 235.329,1312 57.901,1313 7.502,1314 148.67,1315 157.05,1316 21,1317 12.668,1318 4.392,1319 3.585,1320 44.595,1321 115,1322 96,1323 0.189,1324 199.731,1325 336.06,1326 479.103,1327 19075,1328 2.2,1329 20.596,1330 0.71,1331 0.582,1332 21.346,1333 16.867,1334 13.815,1335 0.432,1336 0.332,1337 8.713,1338 12.174,1339 8.373,1340 6.911,1341 14.924,1342 10.618,1343 13.505,1344 0.287,1345 0.188,1346 15.176,1347 8.817,1348 10.078,1349 0.177,1350 0.105,1351 11.549,1352 5.996,1353 8.572,1354 0.116,1355 0.055,1356 9.766,1357 4.036,1358 6.508,1359 0.073,1360 0.027,1361 7.571,1362 2.383,1363 0.295,1364 98.484,1365 0.218,1366 27.36,1367 0.524,1368 158,1369 522.738,1370 230.094,1371 559.036,1372 750.72,1373 514,1374 186,1375 514.102,1376 261.643,1377 562.261,1378 819.35,1379 526,1380 7.959}
{0 CHEMBL2206915,1 1.946,2 10.483,3 1.456,4 2.121,5 109.37,6 9.276,7 0.581,8 3.984,9 4.103,10 3.861,11 3.468,12 5.182,13 3.472,14 4.478,15 4.654,16 4.182,17 3.812,18 5.921,19 3.803,20 4.623,21 4.78,22 4.217,23 3.959,24 5.934,25 3.929,26 4.775,27 4.977,28 4.207,29 3.953,30 6.059,31 3.905,32 4.66,33 4.847,34 4.245,35 3.92,36 6.05,37 3.909,38 4.658,39 4.845,40 4.139,41 3.966,42 5.934,43 3.906,44 4.757,45 4.998,46 3.96,47 3.881,48 5.911,49 3.796,50 4.48,51 4.698,52 3.915,53 3.731,54 5.688,55 3.634,56 0.2,57 0.808,58 9.351,59 3.446,60 21.18,61 3.939,62 0.682,63 1.15,64 17.6,65 5.887,66 61.076,67 7.145,68 0.556,69 1.297,70 23.485,71 7.419,72 44.948,73 7.827,74 0.936,75 1.274,76 33.7,77 8.455,78 109.738,79 9.546,80 0.806,81 1.263,82 21.982,83 6.299,84 83.424,85 7.937,86 0.543,87 1.282,88 21.544,89 8.208,90 37.533,91 10.356,92 0.891,93 1.192,94 33.85,95 7.508,96 87.431,97 9.771,98 0.515,99 0.986,100 18.733,101 6.791,102 41.055,103 8.631,104 53,105 45,106 0.33,107 0.679,108 0.821,109 0.846,110 0.846,111 0.846,112 3.408,113 0.971,114 -3.57,115 -3.55,116 -3.38,119 34,120 1,124 2,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 6,175 7,177 2,178 6,180 3,183 1,187 4,190 2,192 2,195 1,198 2,199 8,201 1,202 3,203 1,204 3,207 2,209 2,211 4,212 5,217 2,220 2,222 1,223 1,224 5,226 1,227 6,228 1,229 3,231 1,232 2,234 1,236 2,237 2,242 1,245 1,249 3,250 4,253 2,255 2,258 2,260 1,262 1,263 6,265 1,266 1,271 1,275 1313,276 18.626,277 18.626,278 18.626,279 18.626,280 18.626,281 16.045,282 24.032,283 10.725,284 19.229,285 15.281,286 15.281,287 15.281,288 15.281,289 15.281,290 11.339,291 35.393,292 5.098,293 16.341,294 3.608,295 1.543,296 0.703,297 0.559,298 0.559,299 0.559,300 4.082,302 1,304 1,305 1,306 632,307 3.873,311 285.687,318 1.57,319 40.217,322 0.75,323 0.83,324 0.83,325 0.5,327 0.67,328 0.5,329 0.58,330 64.833,331 304,332 4.792,333 3.444,334 7.229,335 4.345,336 3.361,337 4.565,338 0.4,339 12.081,340 3.309,341 4.424,342 3.151,343 6.527,344 4.02,345 3.065,346 4.105,347 0.4,348 10.309,349 2.929,350 4.204,351 3.075,352 6.06,353 3.737,354 2.809,355 3.859,357 8.71,358 2.601,359 3.972,360 2.742,361 5.565,362 3.492,363 2.575,364 3.556,366 7.505,367 2.357,368 3.508,369 2.412,370 5.235,371 3.115,372 2.187,373 2.82,375 6.526,376 2.003,377 3.232,378 2.086,379 4.849,380 2.797,381 1.879,382 2.504,384 5.273,385 1.725,386 3.224,387 1.926,388 4.618,389 2.748,390 1.82,391 2.481,393 4.963,394 1.683,395 2.866,396 1.848,397 4.47,398 2.426,399 1.53,400 2.021,402 3.981,403 1.387,404 2.85,405 1.518,406 4.03,407 2.384,408 1.414,409 1.981,411 3.237,412 1.316,413 2.55,414 1.452,415 3.954,416 2.205,417 1.275,418 1.575,420 3.071,421 1.169,422 2.512,423 1.067,424 3.593,425 1.999,426 1.058,427 1.47,428 2.697,429 0.993,430 1.621,431 0.757,432 3.032,433 1.197,434 0.348,435 0.424,436 0.831,437 0.267,438 1.299,439 0.187,440 2.969,441 0.941,442 0.011,443 0.013,445 0.029,446 0.01,447 1,448 -0.126,449 2.635,450 0.574,451 -0.347,452 -0.445,454 -0.891,455 -0.317,456 1,457 -0.194,458 2.382,459 0.552,460 -0.372,461 -0.475,463 -1.031,464 -0.333,465 13.814,466 0.476,467 1.019,468 0.035,469 42.75,470 1.474,471 22.5,472 0.776,473 20.25,474 0.698,475 21.673,476 0.747,477 31.786,478 0.676,479 34.757,480 1.199,481 8.341,482 0.288,483 5.312,484 0.183,485 0.238,486 0.06,487 0.319,493 0.744,494 1.749,495 0.685,496 1.304,497 0.808,498 0.927,499 0.53,500 0.881,501 0.66,502 0.737,503 0.483,504 0.686,505 1.181,506 1.366,507 1.219,508 1.321,509 1.02,510 1.075,511 1.469,512 0.886,513 1.021,514 0.839,515 1.672,516 0.912,517 0.878,518 0.998,519 0.746,520 0.836,521 0.878,522 0.877,523 0.581,524 1.222,525 0.881,526 1.164,527 0.521,528 1.176,529 1.295,530 0.816,531 1.29,532 0.863,533 1.05,534 1.016,535 0.701,536 1.02,537 0.822,538 0.949,539 0.603,540 1.067,541 8.5,542 0.264,543 3.778,544 2.25,545 1.809,546 1.201,547 0.689,548 0.557,549 0.398,550 0.351,551 9753,552 36108,553 1.965,554 38.3,556 9,558 2,559 4,560 3,564 1.722,565 1.785,566 3.394,567 1.834,569 1,573 91.478,574 1.946,575 4.012,576 4.852,577 4.996,578 4.996,579 4.996,580 2.748,581 4.306,582 4.833,583 3.564,584 1447.06,585 8.431,586 19594.6,588 1,590 1,591 261.066,592 1.713,593 4.748,594 0.274,595 0.011,596 0.084,597 0.049,598 0.043,599 0.027,600 0.016,601 0.017,602 0.013,603 0.012,604 0.546,605 0.17,606 0.88,607 1.165,608 146.726,609 -0.052,610 -0.455,611 0.136,612 -0.204,613 -0.234,614 -0.023,615 0.4,616 0.253,617 0.168,618 0.211,619 0.358,620 0.205,621 -0.248,622 -0.194,623 -0.23,624 -0.206,625 -0.099,626 -0.155,627 -0.27,628 0.062,629 -0.043,630 0.112,631 -0.292,632 0.032,633 0.095,634 0.051,635 0.072,636 0.022,637 0.069,638 0.024,639 0.165,640 -0.167,641 -0.04,642 -0.211,643 0.107,644 -0.193,645 -0.305,646 0.093,647 -0.215,648 0.026,649 -0.222,650 -0.043,651 0.104,652 -0.033,653 0.086,654 0.021,655 0.091,656 -0.056,657 4.666,658 5.086,659 0.621,660 25.458,661 1.03,662 1.146,663 2.343,664 5.489,665 0.687,666 3.466,667 3.829,668 4.025,669 4.234,670 4.477,671 4.511,672 4.554,673 4.7,674 4.745,675 4.771,676 6.55,677 0.665,678 435.95,679 3.466,680 5.03,681 5.866,682 6.753,683 7.611,684 8.498,685 9.363,686 10.249,687 11.117,688 12.003,689 19.1,692 1,693 1,694 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,730 1,731 47,733 20,735 31,737 49,738 16,739 13,746 3,747 3,748 1,752 1,761 13,762 3,766 2,769 1,771 2,778 1,781 18,782 11,783 4,784 13,785 2,790 9,794 1,795 2,805 2,812 3,840 3,842 1,844 3,845 1,848 29,849 1,852 1,855 2,859 1,869 1,870 4.3,873 2,877 16.25,878 9.343,879 6.208,880 2.363,881 3.704,882 1.502,883 0.982,884 6.146,885 11.086,886 3.761,887 4.425,888 4.896,889 5.434,890 5.999,891 6.199,892 6.529,893 6.976,894 7.273,895 7.57,896 0.857,897 46,898 10.856,900 4.787,901 8.064,902 19.506,904 15.361,905 2.564,906 74.361,910 164.795,911 98.364,912 152.759,913 39.149,914 44.313,916 5.569,917 92.795,918 248.257,919 152.759,920 25.618,922 66.895,923 168.188,924 50.979,925 46.447,926 141.253,928 164.795,929 245.554,930 44.313,931 44.718,933 169.451,934 44.313,937 48.348,938 92.217,939 105.902,940 39.149,941 164.795,942 197.072,943 137.513,945 5.569,946 164.795,947 20.654,948 73.66,949 34.416,950 200.286,951 164.795,952 197.072,953 137.513,955 0.598,956 0.337,957 0.164,958 0.095,959 21,960 11,961 0.122,962 6,964 1,965 3.855,966 252.285,968 18,969 136.881,973 1,974 21.145,975 8.429,976 5.078,978 197.072,979 8.028,980 20.724,984 2.474,986 67.313,987 499.38,988 42,991 -3.749,993 24.172,999 48.389,1000 53.844,1001 0.35,1002 0.722,1003 0.874,1004 0.899,1005 0.899,1006 0.899,1007 5.014,1008 1.53,1009 5.911,1010 4.963,1011 4.511,1012 5.112,1013 0.495,1014 6.758,1015 4.387,1016 6.278,1017 1.414,1018 7.509,1019 3.981,1020 4.369,1021 5.231,1023 7.932,1024 4.216,1025 7.636,1026 1.275,1027 9.216,1028 3.237,1029 6.196,1030 7.428,1031 0.097,1032 10.935,1033 5.99,1034 9.032,1035 1.058,1036 10.988,1037 3.071,1038 6.804,1039 8.287,1041 12.905,1042 6.59,1043 10.458,1044 0.348,1045 12.803,1046 2.697,1047 8.201,1048 10.051,1049 0.016,1050 15.513,1051 7.946,1052 11.907,1053 0.011,1054 14.648,1055 0.831,1056 9.13,1057 11.235,1059 17.789,1060 8.874,1061 13.374,1062 -0.347,1063 16.517,1064 0.029,1065 10.376,1066 12.833,1067 0.003,1068 20.286,1069 10.092,1070 3.361,1071 -0.372,1072 18.403,1073 -0.891,1074 11.446,1075 14.17,1077 22.68,1078 11.159,1079 3.065,1080 12.081,1081 20.305,1082 -1.031,1083 12.641,1084 15.701,1086 25.151,1087 12.336,1088 2.809,1089 10.309,1090 22.217,1091 4.565,1092 13.773,1093 17.113,1095 27.593,1096 13.463,1097 2.575,1098 8.71,1099 24.139,1100 4.105,1101 14.955,1102 18.618,1104 30.062,1105 14.632,1106 2.187,1107 7.505,1108 26.07,1109 3.859,1110 16.115,1111 20.07,1113 32.524,1114 15.786,1115 1.879,1116 6.526,1117 28.006,1118 3.556,1119 17.297,1120 21.566,1122 34.998,1123 16.957,1124 1.82,1125 5.273,1126 29.948,1127 2.82,1128 18.473,1129 23.04,1131 37.471,1132 18.125,1133 9719,1134 18896,1135 19.592,1136 32.273,1137 46.992,1138 47.441,1139 48.778,1140 46.654,1141 46.661,1142 62.749,1143 1.6,1144 138.426,1145 43.496,1146 5.634,1147 5.444,1148 6.91,1149 5.445,1150 5.361,1151 7.565,1152 0.8,1153 19.067,1154 5.254,1155 18.701,1156 1.516,1157 1.53,1158 1.573,1159 1.505,1160 1.505,1161 2.024,1162 0.052,1163 4.465,1164 1.403,1165 4.038,1166 4.059,1167 4.722,1168 3.938,1169 7.717,1170 3.897,1171 3.944,1172 3.964,1173 3.996,1174 3.82,1175 6.999,1176 3.797,1177 3.786,1178 3.819,1179 3.9,1180 3.666,1181 5.26,1182 3.629,1183 3.685,1184 3.737,1185 3.659,1186 3.493,1187 5.046,1188 3.524,1189 3.25,1190 3.321,1191 3.346,1192 3.014,1193 4.886,1194 2.998,1195 3.172,1196 3.278,1197 3.098,1198 2.952,1199 4.672,1200 2.945,1201 3.066,1202 3.123,1203 2.993,1204 2.886,1205 4.372,1206 2.881,1207 2.943,1208 3.03,1209 2.882,1210 2.736,1211 4.189,1212 2.749,1213 0.155,1214 0.111,1215 0.233,1216 0.14,1217 0.108,1218 4.792,1219 0.147,1220 3.444,1221 0.013,1222 7.229,1223 0.39,1224 4.345,1225 0.107,1226 3.361,1227 4.565,1228 0.4,1229 12.081,1230 3.309,1231 1.906,1232 1.875,1233 1.971,1234 2.062,1235 1.049,1236 2.047,1237 1.82,1238 1.802,1239 1.853,1240 1.983,1241 0.985,1242 1.988,1243 1.645,1244 1.635,1245 1.763,1246 1.865,1247 0.878,1248 1.862,1249 1.605,1250 1.547,1251 1.75,1252 1.799,1253 0.765,1254 1.795,1255 1.166,1256 1.106,1257 1.439,1258 1.442,1259 0.469,1260 1.465,1261 1.146,1262 1.054,1263 1.417,1264 1.432,1265 0.42,1266 1.46,1267 0.973,1268 0.923,1269 1.214,1270 1.239,1271 0.335,1272 1.308,1273 0.934,1274 0.804,1275 1.127,1276 1.213,1277 0.115,1278 1.212,1279 4.143,1281 5.493,1283 7.026,1285 8.64,1287 10.293,1289 4.5,1290 6.031,1293 5.722,1296 5.438,1300 1.022,1305 31.271,1306 91.478,1307 188.562,1308 228.046,1309 234.801,1310 234.801,1311 234.801,1312 62.145,1313 7.382,1314 151.91,1315 160.29,1316 18,1317 12.538,1318 4.392,1319 3.585,1320 52.312,1321 115,1322 97,1323 0.224,1324 204.326,1325 342.12,1326 490.316,1327 16190,1328 2.1,1329 21.181,1330 0.73,1331 0.597,1332 21.931,1333 17.323,1334 13.653,1335 0.44,1336 0.324,1337 8.191,1338 11.859,1339 7.763,1340 6.52,1341 14.762,1342 10.037,1343 13.385,1344 0.297,1345 0.184,1346 15.141,1347 8.283,1348 10.247,1349 0.186,1350 0.098,1351 11.802,1352 5.375,1353 7.859,1354 0.116,1355 0.045,1356 8.697,1357 3.086,1358 6.479,1359 0.074,1360 0.025,1361 7.527,1362 2.189,1363 0.35,1364 98.235,1365 0.226,1366 27.287,1367 0.622,1368 152,1369 536.384,1370 226.452,1371 571.313,1372 763.56,1373 524,1374 176,1375 519.021,1376 252.136,1377 573.201,1378 829.52,1379 532,1380 7.959}
{0 CHEMBL2206916,1 1.885,2 11.194,3 2.183,4 4.764,5 118.536,6 8.755,7 0.545,8 4.086,9 4.21,10 3.909,11 3.572,12 5.243,13 3.563,14 4.599,15 4.784,16 4.239,17 3.922,18 5.976,19 3.898,20 4.784,21 4.968,22 4.326,23 4.098,24 5.993,25 4.048,26 4.935,27 5.13,28 4.338,29 4.139,30 6.198,31 4.062,32 4.965,33 5.191,34 4.302,35 4.064,36 6.299,37 4.033,38 4.759,39 4.957,40 4.204,41 4.067,42 5.978,43 4.001,44 4.853,45 5.079,46 4.143,47 4.044,48 6.01,49 3.957,50 4.729,51 4.959,52 4.039,53 3.935,54 5.888,55 3.814,56 0.183,57 0.886,58 11.697,59 4.018,60 21.691,61 5.067,62 0.687,63 1.282,64 21.413,65 7.001,66 68.617,67 9.095,68 0.602,69 1.494,70 28.854,71 8.6,72 54.64,73 10.223,74 0.837,75 1.53,76 44.424,77 11.448,78 95.202,79 13.194,80 1.231,81 1.474,82 37.033,83 8.672,84 151.632,85 11.554,86 0.529,87 1.411,88 26.302,89 9.312,90 46.382,91 12.318,92 0.779,93 1.367,94 33.929,95 8.517,96 77.788,97 11.613,98 0.674,99 1.174,100 33.334,101 8.943,102 63.713,103 11.776,104 69,105 48,106 0.312,107 0.66,108 0.83,109 0.851,110 0.851,111 0.851,112 3.472,113 1,114 -4.04,115 -3.99,116 -3.78,119 34,120 3,124 1,127 1,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 6,175 9,177 2,178 6,180 3,183 2,187 4,190 2,192 2,195 1,198 2,199 12,201 1,202 3,203 1,204 5,207 2,209 2,211 4,212 5,217 2,220 2,222 1,223 1,224 5,226 1,227 6,228 1,229 3,231 1,232 4,234 1,236 2,237 4,242 1,245 3,249 3,250 4,253 2,255 4,258 2,260 1,262 1,263 6,265 1,266 1,271 1,275 1586,276 19.833,277 19.833,278 19.833,279 19.833,280 19.833,281 17.252,282 27.194,283 11.403,284 20.461,285 16.249,286 16.249,287 16.249,288 16.249,289 16.249,290 12.321,291 42.893,292 5.411,293 17.343,294 3.843,295 1.737,296 0.713,297 0.585,298 0.585,299 0.585,300 4.145,302 1,304 1,305 1,306 719,307 4.243,311 311.334,318 1.684,319 42.458,322 0.75,323 0.67,324 0.83,325 0.7,327 0.67,328 0.5,329 0.59,330 68.833,331 347,332 4.817,333 3.506,334 7.345,335 4.395,336 3.413,337 4.576,338 0.4,339 12.548,340 3.351,341 4.424,342 3.165,343 6.527,344 4.02,345 3.065,346 4.105,347 0.4,348 10.309,349 2.929,350 4.207,351 3.086,352 6.078,353 3.749,354 2.822,355 3.86,357 8.771,358 2.61,359 3.972,360 2.742,361 5.567,362 3.495,363 2.577,364 3.556,366 7.511,367 2.36,368 3.511,369 2.412,370 5.316,371 3.171,372 2.22,373 2.821,375 6.559,376 2.111,377 3.28,378 2.331,379 5.216,380 3.058,381 2.121,382 2.505,384 5.968,385 1.956,386 3.232,387 2.086,388 4.848,389 2.797,390 1.879,391 2.481,393 5.269,394 1.724,395 3.223,396 1.906,397 4.618,398 2.746,399 1.819,400 2.299,402 4.963,403 1.68,404 2.863,405 1.707,406 4.231,407 2.391,408 1.437,409 2.019,411 3.801,412 1.378,413 2.837,414 1.462,415 3.957,416 2.33,417 1.414,418 1.962,420 3.234,421 1.238,422 2.55,423 1.067,424 3.624,425 1.999,426 1.058,427 1.575,428 2.697,429 0.993,430 1.743,431 0.844,432 3.593,433 1.622,434 0.668,435 0.698,436 1.527,437 0.635,438 1.617,439 0.748,440 2.994,441 1.194,442 0.342,443 0.417,445 0.815,446 0.264,447 1.298,448 0.185,449 2.925,450 0.936,451 0.007,452 0.008,454 0.018,455 0.006,456 1,457 -0.126,458 2.634,459 0.574,460 -0.347,461 -0.445,463 -0.891,464 -0.317,465 14.814,466 0.478,467 1.109,468 0.036,469 43.75,470 1.411,471 22.5,472 0.726,473 21.25,474 0.685,475 26.45,476 0.853,477 34.386,478 0.649,479 36.152,480 1.166,481 8.309,482 0.268,483 6.255,484 0.202,485 0.255,486 0.056,487 0.331,493 0.722,494 1.734,495 0.702,496 1.311,497 0.803,498 0.971,499 0.486,500 0.994,501 0.65,502 0.821,503 0.455,504 0.764,505 1.174,506 1.209,507 1.081,508 1.094,509 0.992,510 0.952,511 1.3,512 1.148,513 1.273,514 1.308,515 1.433,516 1.097,517 1.396,518 0.768,519 0.793,520 0.631,521 1.689,522 0.747,523 0.559,524 1.162,525 0.83,526 1.081,527 0.515,528 1.062,529 1.224,530 0.978,531 1.188,532 0.925,533 1.011,534 1.059,535 0.957,536 0.955,537 1.299,538 1.044,539 0.718,540 1.098,541 9,542 0.297,543 4.222,544 2.875,545 1.809,546 1.257,547 0.811,548 0.627,549 0.439,550 0.371,551 11703,552 39674,553 1.949,554 41.5,556 7,558 2,559 4,560 3,561 6,564 1.739,565 1.763,566 3.476,567 1.76,569 1,573 99.884,574 1.885,575 3.991,576 5.015,577 5.143,578 5.143,579 5.143,580 2.882,581 4.438,582 4.929,583 3.657,584 1700.42,585 8.623,586 24212.5,591 303.58,592 1.721,593 4.839,594 0.273,595 0.01,596 0.088,597 0.058,598 0.038,599 0.027,600 0.017,601 0.016,602 0.013,603 0.012,604 0.551,605 0.17,606 0.75,607 1.303,608 160.641,609 -0.021,610 -0.417,611 0.14,612 -0.186,613 -0.218,614 -0.023,615 0.442,616 0.146,617 0.19,618 0.143,619 0.381,620 0.158,621 -0.213,622 -0.051,623 -0.085,624 -0.007,625 -0.099,626 -0.014,627 -0.153,628 -0.115,629 -0.131,630 -0.159,631 -0.115,632 -0.11,633 -0.092,634 0.154,635 0.074,636 0.211,637 -0.143,638 0.162,639 0.188,640 -0.097,641 0.025,642 -0.11,643 0.122,644 -0.065,645 -0.247,646 0.004,647 -0.157,648 -0.021,649 -0.191,650 -0.105,651 -0.025,652 -0.009,653 -0.104,654 -0.04,655 0.018,656 -0.082,657 4.727,658 5.528,659 0.581,660 28.618,661 1.022,662 1.145,663 2.813,664 7.912,665 0.675,666 3.526,667 3.892,668 4.094,669 4.317,670 4.5,671 4.554,672 4.615,673 4.754,674 4.796,675 4.852,676 6.927,677 0.648,678 464.01,679 3.526,680 5.094,681 5.932,682 6.823,683 7.68,684 8.573,685 9.436,686 10.329,687 11.195,688 12.088,689 17,692 1,693 1,694 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,730 1,731 53,733 20,735 33,737 55,738 18,739 13,746 3,747 3,748 1,752 3,758 1,761 13,762 5,766 2,769 1,771 2,778 1,781 22,782 11,783 4,784 13,785 2,790 9,794 1,795 2,805 2,812 3,840 3,842 1,844 4,845 1,848 31,849 1,852 1,855 2,858 1,859 1,869 1,870 3.8,873 2,877 17.583,878 10.676,879 6.653,880 2.897,881 3.697,882 1.493,883 0.967,884 6.917,885 11.203,886 3.807,887 4.46,888 4.925,889 5.477,890 6.004,891 6.211,892 6.547,893 6.992,894 7.29,895 7.598,896 1,897 50,898 11.647,900 5.129,901 8.006,902 21.079,904 16.698,905 2.506,906 77.694,910 211.88,911 107.618,912 152.759,913 39.149,914 44.313,916 5.569,917 102.049,918 295.341,919 152.759,920 34.872,922 66.895,923 168.188,924 50.979,925 46.447,926 188.338,928 211.88,929 254.808,930 44.313,931 44.718,933 145.909,934 114.94,937 65.999,938 83.821,939 105.902,940 39.149,941 211.88,942 197.072,943 146.767,945 5.569,946 211.88,947 20.654,948 82.914,949 34.416,950 200.286,951 211.88,952 197.072,953 146.767,955 0.598,956 0.338,957 0.171,958 0.09,959 22,960 12,961 0.127,962 7,964 1,965 3.989,966 276.447,968 18,969 149.58,973 1,974 23.099,975 9.283,976 5.57,978 197.072,979 8.073,980 20.837,984 2.495,986 67.313,987 555.719,988 44,991 -3.811,993 25.055,999 54.156,1000 60.674,1001 0.329,1002 0.697,1003 0.876,1004 0.898,1005 0.898,1006 0.898,1007 5.066,1008 1.819,1009 5.979,1010 5.269,1011 4.575,1012 5.147,1013 0.495,1014 6.834,1015 4.454,1016 6.326,1017 1.437,1018 7.582,1019 4.963,1020 4.443,1021 5.263,1023 8.007,1024 4.293,1025 7.681,1026 1.414,1027 9.294,1028 3.801,1029 6.263,1030 7.448,1031 0.097,1032 11.042,1033 6.058,1034 9.074,1035 1.058,1036 11.07,1037 3.234,1038 6.878,1039 8.305,1041 13.024,1042 6.663,1043 10.498,1044 0.668,1045 12.89,1046 2.697,1047 8.272,1048 10.063,1049 0.016,1050 15.674,1051 8.015,1052 11.945,1053 0.342,1054 14.742,1055 1.527,1056 9.211,1057 11.248,1059 17.978,1060 8.95,1061 13.411,1062 0.007,1063 16.618,1064 0.815,1065 10.461,1066 12.845,1067 0.003,1068 20.521,1069 10.171,1070 3.413,1071 -0.347,1072 18.514,1073 0.018,1074 11.544,1075 14.185,1077 22.952,1078 11.249,1079 3.065,1080 12.548,1081 20.426,1082 -0.891,1083 12.749,1084 15.716,1086 25.468,1087 12.434,1088 2.822,1089 10.309,1090 22.351,1091 4.576,1092 13.895,1093 17.132,1095 27.95,1096 13.573,1097 2.577,1098 8.771,1099 24.287,1100 4.105,1101 15.09,1102 18.638,1104 30.463,1105 14.753,1106 2.22,1107 7.511,1108 26.232,1109 3.86,1110 16.267,1111 20.093,1113 32.967,1114 15.921,1115 2.121,1116 6.559,1117 28.184,1118 3.556,1119 17.464,1120 21.591,1122 35.484,1123 17.106,1124 1.879,1125 5.968,1126 30.142,1127 2.821,1128 18.657,1129 23.068,1131 37.999,1132 18.288,1133 11679,1134 21722,1135 20.69,1136 35.796,1137 49.883,1138 50.56,1139 52.221,1140 49.674,1141 49.688,1142 65.766,1143 1.6,1144 147.978,1145 46.469,1146 5.695,1147 5.506,1148 7.026,1149 5.495,1150 5.413,1151 7.576,1152 0.8,1153 20.151,1154 5.296,1155 20.857,1156 1.512,1157 1.532,1158 1.582,1159 1.505,1160 1.506,1161 1.993,1162 0.048,1163 4.484,1164 1.408,1165 4.048,1166 4.065,1167 4.724,1168 3.949,1169 7.717,1170 3.902,1171 3.948,1172 3.973,1173 3.996,1174 3.823,1175 6.999,1176 3.804,1177 3.8,1178 3.841,1179 3.901,1180 3.677,1181 5.26,1182 3.658,1183 3.688,1184 3.746,1185 3.659,1186 3.494,1187 5.047,1188 3.525,1189 3.503,1190 3.537,1191 3.408,1192 3.361,1193 4.886,1194 3.31,1195 3.172,1196 3.278,1197 3.345,1198 2.957,1199 4.672,1200 2.953,1201 3.1,1202 3.198,1203 2.993,1204 2.905,1205 4.372,1206 2.91,1207 3.044,1208 3.116,1209 2.883,1210 2.811,1211 4.282,1212 2.785,1213 0.146,1214 0.106,1215 0.223,1216 0.133,1217 0.103,1218 4.817,1219 0.139,1220 3.506,1221 0.012,1222 7.345,1223 0.38,1224 4.395,1225 0.102,1226 3.413,1227 4.576,1228 0.4,1229 12.548,1230 3.351,1231 1.907,1232 1.877,1233 1.971,1234 2.063,1235 1.174,1236 2.052,1237 1.83,1238 1.812,1239 1.927,1240 1.997,1241 1.033,1242 2.005,1243 1.715,1244 1.679,1245 1.848,1246 1.901,1247 0.938,1248 1.896,1249 1.611,1250 1.549,1251 1.76,1252 1.818,1253 0.766,1254 1.807,1255 1.404,1256 1.39,1257 1.573,1258 1.606,1259 0.708,1260 1.654,1261 1.147,1262 1.055,1263 1.439,1264 1.442,1265 0.469,1266 1.46,1267 1.083,1268 0.987,1269 1.417,1270 1.367,1271 0.429,1272 1.41,1273 0.971,1274 0.914,1275 1.216,1276 1.239,1277 0.337,1278 1.308,1279 4.205,1281 5.557,1283 7.091,1285 8.708,1287 10.366,1289 6.699,1290 6.111,1293 5.743,1296 5.542,1299 -0.238,1300 1.188,1305 34.324,1306 99.884,1307 211.5,1308 265.805,1309 272.56,1310 272.56,1311 272.56,1312 74.426,1313 7.505,1314 151.91,1315 160.29,1316 18,1317 12.62,1318 4.392,1319 3.585,1320 58.085,1321 130,1322 113,1323 0.219,1324 223.511,1325 376.72,1326 537.126,1327 19084,1328 1.9,1329 22.759,1330 0.734,1331 0.61,1332 23.509,1333 18.9,1334 14.563,1335 0.441,1336 0.333,1337 9.163,1338 12.815,1339 8.666,1340 7.297,1341 15.673,1342 11.002,1343 14.263,1344 0.297,1345 0.187,1346 15.958,1347 8.957,1348 10.916,1349 0.185,1350 0.105,1351 12.474,1352 6.219,1353 8.712,1354 0.118,1355 0.052,1356 9.976,1357 3.861,1358 6.551,1359 0.074,1360 0.026,1361 7.635,1362 2.285,1363 0.343,1364 103.577,1365 0.22,1366 28.902,1367 0.604,1368 162,1369 546.384,1370 237.119,1371 581.593,1372 780.74,1373 534,1374 188,1375 535.725,1376 267.809,1377 588.675,1378 854.56,1379 548,1380 7.367}
{0 CHEMBL2206917,1 1.955,2 11.844,3 1.144,4 1.309,5 118.444,6 9.192,7 0.514,8 4.099,9 4.21,10 3.958,11 3.576,12 5.252,13 3.588,14 4.631,15 4.792,16 4.282,17 3.939,18 6.013,19 3.934,20 4.819,21 5,22 4.348,23 4.099,24 6,25 4.057,26 4.876,27 5.058,28 4.373,29 4.097,30 6.131,31 4.043,32 4.886,33 5.078,34 4.359,35 4.031,36 6.318,37 4.028,38 4.75,39 4.938,40 4.222,41 4.06,42 5.97,43 4.005,44 4.844,45 5.064,46 4.18,47 4.033,48 5.996,49 3.964,50 4.707,51 4.919,52 4.14,53 3.915,54 5.912,55 3.827,56 0.229,57 0.885,58 10.284,59 3.977,60 25.378,61 4.5,62 0.801,63 1.3,64 19.678,65 6.986,66 71.493,67 8.146,68 0.82,69 1.497,70 29.077,71 8.899,72 67.123,73 9.821,74 0.909,75 1.473,76 39.59,77 10.471,78 103.525,79 11.335,80 1.333,81 1.425,82 30.229,83 7.747,84 144.889,85 9.49,86 0.623,87 1.403,88 24.399,89 9.107,90 47.245,91 11.516,92 0.887,93 1.358,94 32.374,95 8.378,96 82.606,97 10.749,98 0.82,99 1.159,100 29.906,101 8.554,102 64.909,103 10.674,104 26,105 50,106 0.323,107 0.676,108 0.83,109 0.852,110 0.852,111 0.852,112 3.502,113 0.973,114 -3.33,115 -3.31,116 -3.17,119 34.6,120 1,125 4,142 3,143 1,144 2,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 6,175 7,177 2,178 6,180 3,183 1,186 1,187 4,190 2,192 2,195 1,198 2,199 8,201 1,202 3,203 1,204 3,207 2,209 2,211 6,212 5,215 1,217 2,220 2,222 1,223 1,224 5,226 1,227 6,228 1,229 3,231 1,232 2,234 1,236 2,237 3,242 1,245 1,249 4,250 5,253 2,255 2,258 2,260 1,262 1,263 6,265 1,266 2,271 1,275 1740,276 21.195,277 21.195,278 21.195,279 21.195,280 21.195,281 18.613,282 27.97,283 12.479,284 21.978,285 17.315,286 17.315,287 17.315,288 17.315,289 17.315,290 13.39,291 41.294,292 5.977,293 18.633,294 3.746,295 1.616,296 0.683,297 0.553,298 0.553,299 0.553,300 4.194,302 1,304 1,305 1,306 815,307 3.536,311 424.418,318 1.748,319 46.672,322 0.75,323 0.67,324 0.83,325 0.7,327 0.67,328 0.5,329 0.59,330 71.833,331 379,332 4.81,333 3.49,334 7.311,335 4.379,336 3.397,337 4.573,338 0.86,339 12.526,340 3.337,341 4.424,342 3.162,343 6.527,344 4.02,345 3.065,346 4.105,347 0.4,348 10.309,349 2.929,350 4.206,351 3.084,352 6.07,353 3.744,354 2.817,355 3.859,356 0.4,357 8.761,358 2.606,359 3.972,360 2.742,361 5.566,362 3.494,363 2.576,364 3.556,366 7.51,367 2.359,368 3.51,369 2.455,370 5.238,371 3.128,372 2.196,373 2.821,375 6.541,376 2.024,377 3.232,378 2.412,379 4.916,380 2.928,381 2.015,382 2.504,384 5.374,385 1.828,386 3.224,387 2.086,388 4.844,389 2.797,390 1.879,391 2.481,393 5.246,394 1.724,395 3.126,396 1.922,397 4.618,398 2.746,399 1.819,400 2.144,402 4.963,403 1.679,404 2.863,405 1.85,406 4.179,407 2.392,408 1.453,409 2.018,411 3.776,412 1.378,413 2.835,414 1.579,415 3.957,416 2.337,417 1.414,418 1.955,420 3.234,421 1.241,422 2.55,423 1.458,424 3.62,425 2.041,426 1.169,427 1.575,428 2.73,429 1.011,430 2.255,431 1.256,432 3.593,433 1.999,434 1.058,435 1.231,436 2.697,437 0.993,438 2,439 1.067,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.621,448 0.758,449 3.116,450 1.199,451 0.35,452 0.426,454 0.836,455 0.268,456 1.299,457 0.189,458 2.98,459 0.946,460 0.015,461 0.018,463 0.041,464 0.013,465 15.148,466 0.473,467 0.943,468 0.029,469 45.25,470 1.414,471 22.5,472 0.703,473 22.75,474 0.711,475 25.705,476 0.803,477 35.252,478 0.678,479 37.051,480 1.158,481 8.771,482 0.274,483 6.543,484 0.204,485 0.151,486 0.055,487 0.29,493 0.774,494 1.71,495 0.674,496 1.302,497 0.777,498 0.928,499 0.759,500 1.004,501 0.73,502 0.85,503 0.533,504 0.826,505 1.169,506 1.131,507 1.082,508 1.034,509 0.998,510 0.928,511 1.212,512 1.141,513 1.226,514 1.275,515 1.533,516 1.084,517 1.12,518 0.837,519 0.798,520 0.698,521 1.513,522 0.807,523 0.582,524 1.153,525 0.849,526 1.086,527 0.534,528 1.085,529 1.143,530 0.955,531 1.183,532 0.906,533 1.016,534 1.037,535 0.851,536 0.959,537 1.169,538 1.022,539 0.674,540 1.07,541 8,542 0.235,543 3.778,544 2.688,545 1.898,546 1.306,547 0.69,548 0.573,549 0.423,550 0.337,551 13927,552 48010,553 2.056,554 38.5,556 11,558 2,559 4,560 3,564 1.747,565 1.91,566 3.541,567 1.756,569 1,573 101.641,574 1.955,575 4.085,576 5.018,577 5.147,578 5.147,579 5.147,580 2.941,581 4.476,582 4.975,583 3.713,584 1841.62,585 8.711,586 26812.5,591 296.423,592 1.574,593 4.918,594 0.229,595 0.008,596 0.076,597 0.053,598 0.039,599 0.026,600 0.014,601 0.014,602 0.011,603 0.01,604 0.479,605 0.17,606 0.75,607 0.575,608 167.743,609 -0.06,610 -0.419,611 0.134,612 -0.199,613 -0.188,614 -0.018,615 0.229,616 0.123,617 0.081,618 0.1,619 0.297,620 0.063,621 -0.215,622 -0.029,623 -0.091,624 0.042,625 -0.116,626 0.016,627 -0.163,628 -0.102,629 -0.101,630 -0.143,631 -0.188,632 -0.102,633 0.074,634 0.136,635 0.053,636 0.147,637 -0.019,638 0.086,639 0.141,640 -0.098,641 0.004,642 -0.119,643 0.1,644 -0.085,645 -0.237,646 0.015,647 -0.145,648 -0.001,649 -0.203,650 -0.068,651 0.077,652 -0.013,653 -0.01,654 -0.024,655 0.063,656 -0.052,657 4.731,658 5.686,659 0.75,660 30.102,661 1.031,662 1.144,663 2.096,664 4.392,665 0.682,666 3.584,667 3.932,668 4.159,669 4.419,670 4.644,671 4.654,672 4.727,673 4.852,674 4.92,675 4.984,676 7.136,677 0.664,678 477.99,679 3.584,680 5.142,681 5.984,682 6.872,683 7.732,684 8.622,685 9.489,686 10.38,687 11.25,688 12.14,689 17.3,692 1,693 1,694 1,697 1,699 5,702 1,704 5,705 5,709 8,711 18,722 1,724 1,730 1,731 52,733 20,735 35,737 55,738 18,739 13,746 4,747 4,748 1,752 1,761 13,762 5,766 2,769 1,771 2,781 20,782 12,783 4,784 14,785 2,790 9,794 1,795 3,805 2,812 4,839 1,840 4,842 1,844 1,845 1,848 32,849 1,852 1,854 4,855 2,856 1,859 1,869 1,870 5.8,873 2,874 1,877 16.75,878 9.51,879 6.875,880 2.83,881 3.686,882 1.472,883 0.997,884 6.691,885 11.488,886 3.85,887 4.483,888 4.954,889 5.51,890 6.048,891 6.239,892 6.572,893 7.011,894 7.315,895 7.625,896 0.875,897 51,898 12.051,900 5.404,901 7.996,902 21.892,904 17.721,905 2.496,906 79.861,910 188.338,911 94.968,912 152.759,913 39.149,914 55.313,916 5.569,917 89.399,918 282.799,919 152.759,920 8.825,921 13.396,922 66.895,923 179.188,924 50.979,925 46.447,926 164.795,928 188.338,929 242.158,930 55.313,931 44.718,933 192.993,934 44.313,935 11,937 61.745,938 75.425,939 105.902,940 39.149,941 188.338,942 208.072,943 134.116,945 5.569,946 188.338,947 34.05,948 56.867,949 34.416,950 211.286,951 188.338,952 208.072,953 134.116,955 0.589,956 0.334,957 0.181,958 0.102,959 24,960 11,961 0.109,962 6,964 1,965 4.212,966 294.946,968 24,969 154,973 1,974 22.579,975 9.483,976 5.429,978 208.072,979 8.084,980 20.877,984 2.494,986 67.313,987 530.526,988 46,991 -3.815,993 25.371,999 53.6,1000 59.468,1001 0.343,1002 0.717,1003 0.88,1004 0.903,1005 0.903,1006 0.903,1007 5.103,1008 1.819,1009 6.004,1010 5.246,1011 4.615,1012 5.17,1013 1.138,1014 6.845,1015 4.483,1016 6.34,1017 1.453,1018 7.587,1019 4.963,1020 4.369,1021 5.231,1023 7.984,1024 4.216,1025 7.686,1026 1.414,1027 9.283,1028 3.776,1029 6.279,1030 7.452,1031 0.787,1032 11.03,1033 6.06,1034 9.071,1035 1.169,1036 11.048,1037 3.234,1038 6.825,1039 8.292,1041 13.015,1042 6.609,1043 10.491,1044 1.058,1045 12.86,1046 2.73,1047 8.267,1048 10.062,1049 0.602,1050 15.659,1051 8,1052 11.936,1053 1,1054 14.708,1055 2.697,1056 9.171,1057 11.243,1059 17.97,1060 8.911,1061 13.4,1062 0.35,1063 16.581,1064 2.136,1065 10.441,1066 12.843,1067 0.471,1068 20.506,1069 10.146,1070 3.397,1071 0.015,1072 18.474,1073 0.836,1074 11.507,1075 14.181,1077 22.94,1078 11.213,1079 3.065,1080 12.526,1081 20.383,1082 0.041,1083 12.717,1084 15.713,1085 0.367,1086 25.451,1087 12.401,1088 2.817,1089 10.309,1090 22.306,1091 4.573,1092 13.854,1093 17.127,1095 27.933,1096 13.534,1097 2.576,1098 8.761,1099 24.238,1100 4.105,1101 15.048,1102 18.633,1103 0.283,1104 30.443,1105 14.712,1106 2.196,1107 7.51,1108 26.18,1109 3.859,1110 16.218,1111 20.088,1113 32.946,1114 15.875,1115 2.015,1116 6.541,1117 28.128,1118 3.556,1119 17.412,1120 21.586,1121 0.217,1122 35.46,1123 17.056,1124 1.879,1125 5.374,1126 30.082,1127 2.821,1128 18.599,1129 23.062,1131 37.974,1132 18.233,1133 13304,1134 24928,1135 23.057,1136 35.489,1137 52.456,1138 53.568,1139 53.848,1140 52.43,1141 52.446,1142 68.535,1143 3.32,1144 153.358,1145 48.671,1146 5.81,1147 5.49,1148 7.113,1149 5.483,1150 5.397,1151 7.573,1152 1.72,1153 19.912,1154 5.282,1155 16.639,1156 1.499,1157 1.531,1158 1.539,1159 1.498,1160 1.498,1161 1.958,1162 0.095,1163 4.382,1164 1.391,1165 4.055,1166 4.069,1167 4.725,1168 3.952,1169 7.717,1170 3.904,1171 3.952,1172 3.979,1173 3.996,1174 3.824,1175 6.999,1176 3.807,1177 3.81,1178 3.852,1179 3.901,1180 3.679,1181 5.26,1182 3.668,1183 3.691,1184 3.749,1185 3.659,1186 3.494,1187 5.047,1188 3.525,1189 3.542,1190 3.538,1191 3.52,1192 3.352,1193 4.886,1194 3.318,1195 3.172,1196 3.278,1197 3.346,1198 2.956,1199 4.672,1200 2.952,1201 3.111,1202 3.206,1203 2.993,1204 2.941,1205 4.61,1206 2.91,1207 3.077,1208 3.136,1209 2.883,1210 2.898,1211 4.371,1212 2.904,1213 0.137,1214 0.1,1215 0.209,1216 0.125,1217 0.097,1218 4.81,1219 0.131,1220 3.49,1221 0.025,1222 7.311,1223 0.358,1224 4.379,1225 0.095,1226 3.397,1227 4.573,1228 0.86,1229 12.526,1230 3.337,1231 1.908,1232 1.879,1233 1.971,1234 2.065,1235 1.232,1236 2.058,1237 1.834,1238 1.816,1239 1.903,1240 2.014,1241 1.033,1242 2.013,1243 1.724,1244 1.692,1245 1.846,1246 1.92,1247 0.936,1248 1.903,1249 1.611,1250 1.549,1251 1.76,1252 1.821,1253 0.825,1254 1.807,1255 1.357,1256 1.373,1257 1.513,1258 1.582,1259 0.766,1260 1.61,1261 1.153,1262 1.064,1263 1.439,1264 1.442,1265 0.56,1266 1.46,1267 1.147,1268 1.054,1269 1.231,1270 1.376,1271 0.341,1272 1.429,1273 0.989,1274 0.937,1275 1.14,1276 1.225,1277 0.202,1278 1.22,1279 4.263,1281 5.602,1283 7.133,1285 8.75,1287 10.409,1289 1.709,1290 6.141,1293 5.752,1295 1.171,1296 5.583,1297 5.205,1300 1.289,1305 34.512,1306 101.641,1307 212.395,1308 260.913,1309 267.668,1310 267.668,1311 267.668,1312 66.707,1313 7.802,1314 161.14,1315 169.52,1316 24,1317 12.673,1318 4.392,1319 3.585,1320 51.778,1321 138,1322 132,1323 0.182,1324 220.114,1325 373.15,1326 528.837,1327 29008,1328 1.9,1329 22.717,1330 0.71,1331 0.58,1332 23.467,1333 18.559,1334 15.315,1335 0.438,1336 0.324,1337 9.476,1338 13.447,1339 9.155,1340 7.536,1341 16.424,1342 11.352,1343 14.566,1344 0.291,1345 0.176,1346 16.237,1347 8.799,1348 11.394,1349 0.181,1350 0.1,1351 12.865,1352 6.288,1353 9.674,1354 0.118,1355 0.054,1356 10.97,1357 4.423,1358 7.817,1359 0.076,1360 0.029,1361 9.228,1362 2.966,1363 0.286,1364 109.037,1365 0.208,1366 29.795,1367 0.498,1368 170,1369 598.119,1370 247.997,1371 621.284,1372 832.64,1373 574,1374 198,1375 565.362,1376 280.911,1377 613.906,1378 897.1,1379 574,1380 7.796}
{0 CHEMBL2206918,1 2.061,2 9.786,3 2.005,4 4.021,5 105.58,6 10.508,7 0.6,8 3.887,9 3.989,10 3.858,11 3.439,12 5.121,13 3.434,14 4.367,15 4.507,16 4.164,17 3.767,18 5.895,19 3.766,20 4.545,21 4.703,22 4.186,23 3.862,24 5.895,25 3.849,26 4.51,27 4.681,28 4.229,29 3.883,30 5.783,31 3.833,32 4.572,33 4.728,34 4.316,35 3.878,36 6.061,37 3.873,38 4.592,39 4.781,40 4.113,41 3.89,42 5.887,43 3.826,44 4.551,45 4.761,46 4.113,47 3.784,48 5.836,49 3.728,50 4.393,51 4.579,52 3.999,53 3.708,54 5.703,55 3.601,56 0.218,57 0.724,58 5.488,59 3.359,60 25.548,61 2.915,62 0.57,63 1.033,64 15.342,65 6.001,66 65.563,67 6.073,68 0.78,69 1.124,70 15.164,71 5.776,72 81.435,73 4.864,74 0.589,75 1.118,76 22.022,77 7.145,78 54.457,79 7.493,80 0.809,81 1.148,82 14.404,83 5.885,84 83.913,85 5.765,86 0.709,87 1.133,88 24.983,89 7.977,90 59.459,91 9.006,92 0.778,93 1.022,94 18.353,95 6.219,96 77.216,97 6.472,98 0.652,99 0.83,100 24.901,101 7.182,102 62.174,103 8.034,104 52,105 44,106 0.357,107 0.714,108 0.861,109 0.877,110 0.877,111 0.877,112 3.375,113 1.03,114 -3.08,115 -3.08,116 -2.96,119 35.7,120 1,124 1,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 4,175 6,177 2,178 5,180 3,183 1,187 5,190 2,192 2,195 2,198 2,199 5,201 1,202 3,203 1,204 2,207 2,209 2,211 3,212 6,217 3,220 2,222 1,223 1,224 4,226 1,227 5,228 1,229 2,231 1,236 2,237 2,242 2,245 3,247 1,249 2,250 4,253 2,255 1,258 2,260 1,262 1,263 5,265 1,266 1,268 1,275 1240,276 17.79,277 17.79,278 17.79,279 17.79,280 17.79,281 15.122,282 21.483,283 10.234,284 18.562,285 14.847,286 14.847,287 14.847,288 14.847,289 14.847,290 10.812,291 29.205,292 4.953,293 16.259,294 3.331,295 1.265,296 0.417,297 0.322,298 0.322,299 0.322,300 4.048,301 1,302 1,304 1,305 1,306 570,307 3.536,311 273.094,318 1.459,319 41.063,322 1,323 0.83,324 1,325 0.4,327 0.83,328 0.5,329 0.65,330 62.667,331 274,332 4.654,333 4.312,334 6.545,335 4.102,336 3.168,337 4.449,338 0.4,339 10.393,340 2.95,341 4.448,342 3.21,343 6.501,344 4.034,345 3.083,346 4.142,348 10.317,349 2.917,350 4.192,351 3.137,352 5.963,353 3.692,354 2.768,355 3.851,357 8.502,358 2.552,359 4.006,360 2.829,361 5.569,362 3.509,363 2.598,364 3.616,366 7.52,367 2.361,368 3.569,369 2.693,370 5.247,371 3.139,372 2.241,373 2.903,375 6.587,376 1.99,377 3.448,378 2.367,379 4.968,380 2.993,381 2.097,382 2.764,384 5.818,385 1.803,386 3.232,387 2.085,388 4.825,389 2.796,390 1.879,391 2.481,393 5.207,394 1.72,395 3.142,396 1.908,397 4.618,398 2.669,399 1.751,400 2.381,402 4.963,403 1.577,404 2.841,405 1.786,406 4.195,407 2.328,408 1.438,409 1.972,411 3.808,412 1.236,413 2.55,414 1.069,415 3.939,416 2,417 1.058,418 1.575,420 2.919,421 0.993,422 1.681,423 0.85,424 3.155,425 1.271,426 0.426,427 0.514,428 1.037,429 0.328,430 1.41,431 0.727,432 3.092,433 1.012,434 0.141,435 0.17,436 0.362,437 0.111,438 1,439 0.525,440 2.7,441 0.589,442 -0.309,443 -0.377,445 -0.87,446 -0.25,447 1,448 -0.037,449 2.382,450 0.571,451 -0.347,452 -0.445,454 -0.891,455 -0.318,456 1,457 -0.126,458 2.368,459 0.458,460 -0.442,461 -0.56,463 -1.146,464 -0.381,465 13.629,466 0.487,467 1.069,468 0.038,469 42,470 1.5,471 22.5,472 0.804,473 19.5,474 0.696,475 21.266,476 0.76,477 30.171,478 0.718,479 32.536,480 1.162,481 7.985,482 0.285,483 5.119,484 0.183,485 0.256,486 0.061,487 0.33,493 0.741,494 1.558,495 0.631,496 1.109,497 0.812,498 0.803,499 0.571,500 1.123,501 0.775,502 1.017,503 0.478,504 0.796,505 1.431,506 1.02,507 0.951,508 0.731,509 1.405,510 0.895,511 0.803,512 1.041,513 0.851,514 0.966,515 0.673,516 0.962,517 0.829,518 1.12,519 0.735,520 0.925,521 0.857,522 0.984,523 0.781,524 1.034,525 1.057,526 1.06,527 0.634,528 1.095,529 1.087,530 0.849,531 0.832,532 0.7,533 0.945,534 0.888,535 0.927,536 0.968,537 1.357,538 1.127,539 0.757,540 1.147,541 9,542 0.256,543 2.889,544 2.313,545 2.08,546 1.09,547 0.791,548 0.585,549 0.411,550 0.347,551 8716,552 37383,553 1.964,554 33.3,556 5,558 2,559 4,560 3,564 1.715,565 1.778,566 3.298,567 1.874,569 1,573 86.571,574 2.061,575 4.128,576 4.975,577 5.071,578 5.071,579 5.071,580 2.652,581 4.111,582 4.781,583 3.479,584 1315.12,585 8.337,586 17307.7,588 1,590 1,591 226.477,592 1.728,593 4.694,594 0.3,595 0.012,596 0.066,597 0.055,598 0.05,599 0.025,600 0.02,601 0.017,602 0.014,603 0.013,604 0.571,605 0.17,606 0.88,607 1.015,608 139.467,609 -0.094,610 -0.303,611 0.072,612 -0.102,613 -0.243,614 0.024,615 0.276,616 0.009,617 0.008,618 -0.046,619 0.359,620 0.08,621 -0.415,622 0.026,623 -0.182,624 0.085,625 -0.37,626 -0.068,627 -0.01,628 0.005,629 0.029,630 -0.017,631 -0.008,632 -0.009,633 0.104,634 -0.073,635 0.028,636 -0.107,637 0.059,638 -0.13,639 0.039,640 -0.062,641 -0.118,642 -0.128,643 0.036,644 -0.093,645 -0.17,646 0.114,647 0.039,648 0.163,649 -0.127,650 0.072,651 0.019,652 -0.075,653 -0.115,654 -0.075,655 0.039,656 -0.067,657 4.448,658 4.484,659 0.643,660 23.755,661 1.041,662 1.14,663 1.848,664 3.417,665 0.723,666 3.434,667 3.807,668 3.951,669 4.248,670 4.5,671 4.522,672 4.595,673 4.718,674 4.779,675 4.787,676 6.253,677 0.704,678 441.34,679 3.434,680 5.004,681 5.826,682 6.725,683 7.57,684 8.467,685 9.323,686 10.217,687 11.08,688 11.972,689 19,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 2,731 42,733 20,735 30,737 44,738 15,739 13,746 3,747 3,748 2,752 1,761 13,762 2,766 2,769 1,771 2,778 1,781 14,782 10,783 4,784 13,785 3,790 8,794 1,795 2,805 2,812 3,840 3,842 1,844 2,845 2,848 28,849 1,852 1,855 2,869 2,870 4.8,873 2,877 15.75,878 8.202,879 5.875,880 2.077,881 3.667,882 1.502,883 0.992,884 5.861,885 10.973,886 3.738,887 4.425,888 4.854,889 5.464,890 6.042,891 6.249,892 6.59,893 7.022,894 7.354,895 7.634,896 1,897 42,898 10.425,900 4.621,901 8.148,902 18.652,904 14.838,905 2.648,906 74.139,910 117.711,911 83.025,912 151.241,913 78.297,914 44.313,916 5.807,917 77.217,918 240.321,919 151.241,920 16.016,922 57.657,923 168.188,924 52.961,925 46.447,926 94.169,927 39.149,928 117.711,929 228.458,930 44.313,931 84.105,933 122.367,934 44.313,937 46.83,938 76.639,939 145.289,940 39.149,941 117.711,942 195.554,943 161.322,945 5.807,946 117.711,947 24.154,948 53.063,949 34.416,950 239.435,951 117.711,952 195.554,953 161.322,955 0.599,956 0.309,957 0.17,958 0.104,959 21,960 11,961 0.114,962 5,964 1,965 3.77,966 241.628,968 18,969 132.606,973 1,974 20.487,975 8.011,976 5.401,978 195.554,979 5.945,980 20.539,984 2.49,986 67.313,987 474.586,988 41,991 -3.532,993 22.967,999 43.727,1000 47.874,1001 0.382,1002 0.765,1003 0.923,1004 0.94,1005 0.94,1006 0.94,1007 4.994,1008 1.751,1009 5.878,1010 5.207,1011 4.489,1012 5.112,1013 0.278,1014 6.706,1015 4.317,1016 6.271,1017 1.438,1018 7.454,1019 4.963,1020 4.369,1021 5.27,1023 7.774,1024 4.093,1025 7.631,1026 1.058,1027 9.127,1028 3.808,1029 6.159,1030 7.436,1031 0.05,1032 10.734,1033 5.85,1034 9.023,1035 0.426,1036 10.852,1037 2.919,1038 6.723,1039 8.282,1041 12.524,1042 6.32,1043 10.438,1044 0.141,1045 12.61,1046 1.037,1047 8.098,1048 10.031,1049 0.008,1050 15.081,1051 7.66,1052 11.872,1053 -0.309,1054 14.39,1055 0.362,1056 8.964,1057 11.186,1059 17.176,1060 8.446,1061 13.319,1062 -0.347,1063 16.186,1064 -0.87,1065 10.183,1066 12.772,1067 0.001,1068 19.59,1069 9.621,1070 3.168,1071 -0.442,1072 17.996,1073 -0.891,1074 11.19,1075 14.076,1077 21.82,1078 10.557,1079 3.083,1080 10.393,1081 19.816,1082 -1.146,1083 12.349,1084 15.591,1086 24.18,1087 11.664,1088 2.768,1089 10.317,1090 21.644,1091 4.449,1092 13.421,1093 16.972,1095 26.468,1096 12.67,1097 2.598,1098 8.502,1099 23.48,1100 4.142,1101 14.559,1102 18.457,1104 28.81,1105 13.751,1106 2.241,1107 7.52,1108 25.321,1109 3.851,1110 15.662,1111 19.878,1113 31.124,1114 14.79,1115 2.097,1116 6.587,1117 27.167,1118 3.616,1119 16.794,1120 21.35,1122 33.46,1123 15.863,1124 1.879,1125 5.818,1126 29.017,1127 2.903,1128 17.914,1129 22.794,1131 35.785,1132 16.918,1133 8695,1134 18184,1135 18.898,1136 30.364,1137 45.544,1138 47.761,1139 46.833,1140 45.411,1141 45.299,1142 61.636,1143 0.8,1144 134.867,1145 41.077,1146 5.457,1147 6.312,1148 5.868,1149 5.202,1150 5.168,1151 7.449,1152 0.8,1153 17.286,1154 4.895,1155 18.28,1156 1.518,1157 1.592,1158 1.561,1159 1.514,1160 1.51,1161 2.055,1162 0.027,1163 4.496,1164 1.369,1165 4.033,1166 4.053,1167 4.717,1168 3.964,1169 7.718,1170 3.903,1171 3.943,1172 3.955,1173 4.046,1174 3.838,1175 6.999,1176 3.809,1177 3.776,1178 3.798,1179 3.947,1180 3.675,1181 5.262,1182 3.631,1183 3.689,1184 3.722,1185 3.76,1186 3.504,1187 5.056,1188 3.534,1189 3.172,1190 3.278,1191 3.439,1192 2.979,1193 4.981,1194 2.973,1195 3.095,1196 3.149,1197 3.212,1198 2.91,1199 4.7,1200 2.917,1201 2.95,1202 3.038,1203 2.99,1204 2.754,1205 4.495,1206 2.765,1207 2.825,1208 2.929,1209 2.81,1210 2.577,1211 4.296,1212 2.593,1213 0.155,1214 0.144,1215 0.218,1216 0.137,1217 0.106,1218 4.654,1219 0.148,1220 4.312,1221 0.013,1222 6.545,1223 0.346,1224 4.102,1225 0.098,1226 3.168,1227 4.449,1228 0.4,1229 10.393,1230 2.95,1231 1.905,1232 1.88,1233 1.945,1234 2.055,1235 1.058,1236 2.041,1237 1.823,1238 1.813,1239 1.846,1240 1.973,1241 0.99,1242 1.978,1243 1.639,1244 1.645,1245 1.736,1246 1.834,1247 0.857,1248 1.842,1249 1.597,1250 1.548,1251 1.601,1252 1.747,1253 0.762,1254 1.769,1255 1.146,1256 1.055,1257 1.431,1258 1.442,1259 0.312,1260 1.46,1261 1.004,1262 0.953,1263 1.157,1264 1.23,1265 0.232,1266 1.233,1267 0.876,1268 0.805,1269 1.103,1270 1.167,1271 0.039,1272 1.162,1273 0.759,1274 0.668,1275 0.975,1276 1.077,1278 1.08,1279 4.111,1281 5.468,1283 6.991,1285 8.595,1287 10.242,1289 2.689,1290 12.017,1293 5.707,1296 5.316,1305 29.55,1306 86.571,1307 173.358,1308 208.968,1309 212.968,1310 212.968,1311 212.968,1312 60.335,1313 7.307,1314 148.67,1315 157.05,1316 18,1317 12.505,1318 4.392,1319 3.585,1320 49.452,1321 104,1322 90,1323 0.232,1324 196.272,1325 329.03,1326 470.664,1327 14261,1328 4.8,1329 20.474,1330 0.731,1331 0.605,1332 21.724,1333 16.932,1334 13.103,1335 0.437,1336 0.343,1337 7.729,1338 11.179,1339 7.269,1340 6.044,1341 14.607,1342 10.297,1343 13.437,1344 0.305,1345 0.187,1346 15.598,1347 8.219,1348 9.112,1349 0.179,1350 0.085,1351 10.192,1352 4.355,1353 7.942,1354 0.115,1355 0.046,1356 8.937,1357 3.176,1358 6.658,1359 0.075,1360 0.025,1361 7.952,1362 2.256,1363 0.358,1364 98.448,1365 0.23,1366 26.394,1367 0.651,1368 148,1369 540.942,1370 228.932,1371 605.905,1372 793.07,1373 554,1374 169,1375 516.279,1376 246.55,1377 573.355,1378 824.29,1379 532,1380 8.456}
{0 CHEMBL2206919,1 1.948,2 9.786,3 1.414,4 2,5 104.305,6 9.354,7 0.6,8 3.938,9 4.052,10 3.821,11 3.468,12 5.136,13 3.457,14 4.427,15 4.588,16 4.101,17 3.794,18 5.89,19 3.785,20 4.6,21 4.772,22 4.097,23 3.888,24 5.896,25 3.873,26 4.591,27 4.779,28 4.124,29 3.925,30 5.807,31 3.873,32 4.694,33 4.886,34 4.197,35 3.953,36 6.007,37 3.915,38 4.71,39 4.908,40 4.09,41 3.936,42 6.001,43 3.876,44 4.678,45 4.924,46 4.048,47 3.839,48 5.856,49 3.763,50 4.457,51 4.656,52 3.897,53 3.736,54 5.709,55 3.631,56 0.182,57 0.772,58 8.538,59 3.638,60 21.21,61 3.852,62 0.529,63 1.111,64 18.514,65 6.464,66 62.869,67 7.419,68 0.697,69 1.235,70 19.314,71 5.854,72 75.876,73 6.295,74 0.485,75 1.274,76 18.585,77 7.257,78 37.99,79 8.793,80 0.692,81 1.313,82 25.147,83 7.614,84 70.884,85 9.13,86 0.733,87 1.267,88 24.792,89 8.289,90 73.465,91 9.885,92 0.758,93 1.135,94 27.179,95 7.309,96 79.205,97 9.503,98 0.588,99 0.939,100 26.606,101 7.245,102 57.365,103 8.744,104 52,105 44,106 0.332,107 0.687,108 0.83,109 0.868,110 0.868,111 0.868,112 3.375,113 1.023,114 -3.08,115 -3.08,116 -2.96,119 35.6,120 2,124 1,142 2,143 1,144 3,145 2,146 1,147 1,149 2,150 1,163 1,164 1,165 1,172 1,174 4,175 6,177 2,178 5,180 3,183 1,187 5,190 2,192 2,195 2,198 2,199 5,201 1,202 3,203 1,204 2,207 2,209 2,211 3,212 6,217 3,220 2,222 1,223 1,224 4,226 1,227 5,228 1,229 2,231 1,236 2,237 2,242 2,245 3,247 1,249 2,250 4,253 2,255 1,258 2,260 1,262 1,263 5,265 1,266 1,268 1,275 1240,276 17.79,277 17.79,278 17.79,279 17.79,280 17.79,281 15.122,282 22.143,283 10.234,284 18.444,285 14.847,286 14.847,287 14.847,288 14.847,289 14.847,290 10.812,291 30.193,292 4.953,293 16,294 3.544,295 1.47,296 0.628,297 0.406,298 0.406,299 0.406,300 4.048,301 1,304 1,305 1,306 570,307 3.536,311 273.094,318 1.459,319 38.453,322 1,323 0.83,324 1,325 0.6,327 0.83,328 0.5,329 0.68,330 62.333,331 274,332 4.654,333 4.312,334 6.545,335 4.109,336 3.168,337 4.449,338 0.4,339 10.393,340 2.972,341 4.448,342 3.194,343 6.501,344 4.034,345 3.083,346 4.142,348 10.317,349 2.926,350 4.192,351 2.981,352 5.963,353 3.722,354 2.768,355 3.851,357 8.502,358 2.631,359 4.006,360 2.829,361 5.569,362 3.516,363 2.598,364 3.616,366 7.52,367 2.378,368 3.569,369 2.658,370 5.247,371 3.171,372 2.241,373 2.903,375 6.587,376 2.093,377 3.448,378 2.319,379 4.968,380 2.995,381 2.097,382 2.764,384 5.818,385 1.803,386 3.232,387 2.084,388 4.825,389 2.796,390 1.879,391 2.481,393 5.207,394 1.72,395 3.142,396 1.856,397 4.618,398 2.676,399 1.751,400 2.381,402 4.963,403 1.591,404 2.841,405 1.669,406 4.195,407 2.376,408 1.438,409 1.972,411 3.808,412 1.345,413 2.55,414 1.069,415 3.939,416 2,417 1.058,418 1.575,420 2.919,421 0.993,422 1.681,423 0.778,424 3.155,425 1.337,426 0.426,427 0.514,428 1.037,429 0.377,430 1.41,431 0.717,432 3.092,433 1.051,434 0.141,435 0.17,436 0.362,437 0.122,438 1,439 0.398,440 2.7,441 0.616,442 -0.309,443 -0.377,445 -0.87,446 -0.259,447 1,448 -0.039,449 2.382,450 0.572,451 -0.347,452 -0.445,454 -0.891,455 -0.318,456 1,457 -0.126,458 2.368,459 0.464,460 -0.442,461 -0.56,463 -1.146,464 -0.384,465 13.414,466 0.479,467 1.069,468 0.038,469 41.75,470 1.491,471 22.5,472 0.804,473 19.25,474 0.688,475 21.374,476 0.763,477 30.386,478 0.675,479 32.429,480 1.158,481 7.956,482 0.284,483 5.147,484 0.184,485 0.245,486 0.062,487 0.335,493 0.727,494 1.562,495 0.696,496 1.196,497 0.81,498 0.881,499 0.568,500 1.131,501 0.815,502 1.033,503 0.462,504 0.803,505 1.518,506 1.034,507 1.034,508 0.764,509 1.431,510 0.923,511 0.707,512 1.08,513 0.766,514 0.995,515 0.58,516 1.012,517 0.887,518 1.142,519 0.892,520 1.063,521 0.867,522 0.987,523 1.012,524 1.026,525 0.953,526 0.974,527 1.081,528 1.068,529 1.026,530 0.795,531 0.824,532 0.663,533 0.864,534 0.804,535 0.937,536 0.946,537 1.472,538 1.158,539 0.757,540 1.158,541 9,542 0.256,543 2.889,544 2.313,545 2.08,546 1.09,547 0.791,548 0.585,549 0.411,550 0.347,551 8716,552 33069,553 1.964,554 37.8,556 5,558 2,559 4,560 6,564 1.715,565 1.778,566 3.298,567 1.839,568 1,569 1,573 87.647,574 1.948,575 4.022,576 4.864,577 5.086,578 5.086,579 5.086,580 2.652,581 4.111,582 4.781,583 3.479,584 1315.12,585 8.337,586 17307.7,588 1,590 1,591 247.133,592 1.728,593 4.694,594 0.3,595 0.012,596 0.066,597 0.055,598 0.05,599 0.025,600 0.02,601 0.017,602 0.014,603 0.013,604 0.571,605 0.17,606 0.88,607 1.015,608 139.467,609 -0.056,610 -0.292,611 0.12,612 -0.106,613 -0.237,614 0.017,615 0.31,616 -0.004,617 0.052,618 -0.016,619 0.382,620 0.12,621 -0.438,622 0.042,623 -0.24,624 0.06,625 -0.368,626 -0.088,627 0.032,628 0.005,629 0.013,630 -0.055,631 0.027,632 -0.068,633 0.019,634 -0.1,635 -0.015,636 -0.1,637 0.02,638 -0.043,639 -0.04,640 -0.048,641 -0.089,642 -0.063,643 -0.089,644 -0.113,645 -0.095,646 0.113,647 0.134,648 0.218,649 -0.059,650 0.191,651 0.01,652 -0.012,653 -0.183,654 -0.114,655 0.022,656 -0.122,657 4.364,658 4.542,659 0.643,660 23.755,661 1.029,662 1.141,663 1.848,664 3.417,665 0.695,666 3.434,667 3.807,668 3.951,669 4.248,670 4.5,671 4.522,672 4.595,673 4.718,674 4.779,675 4.787,676 6.253,677 0.672,678 420.93,679 3.434,680 5.004,681 5.826,682 6.725,683 7.57,684 8.467,685 9.323,686 10.217,687 11.08,688 11.972,689 17.8,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 1,731 45,733 20,735 30,737 47,738 16,739 13,746 3,747 3,748 1,752 2,761 13,762 3,766 2,769 1,771 2,778 1,781 17,782 10,783 4,784 12,785 2,790 8,794 1,795 2,805 2,812 3,840 3,842 1,844 3,845 1,848 28,849 1,852 1,855 2,869 1,870 4.4,873 2,877 15.75,878 9.06,879 5.875,880 2.291,881 3.667,882 1.502,883 0.988,884 5.656,885 10.973,886 3.738,887 4.425,888 4.854,889 5.464,890 6.042,891 6.249,892 6.59,893 7.022,894 7.354,895 7.634,896 1,897 42,898 10.429,900 4.578,901 8.072,902 18.866,904 15.004,905 2.572,906 72.028,910 153.024,911 91.535,912 151.241,913 39.149,914 44.313,916 5.807,917 85.727,918 236.486,919 151.241,920 24.841,922 57.657,923 168.188,924 55.718,925 4.227,926 129.482,927 39.149,928 153.024,929 236.968,930 44.313,931 44.956,933 157.68,934 44.313,937 58.412,938 73.568,939 145.289,941 153.024,942 195.554,943 130.683,945 5.807,946 153.024,947 23.839,948 61.888,949 34.416,950 200.286,951 153.024,952 195.554,953 130.683,955 0.599,956 0.309,957 0.17,958 0.104,959 21,960 11,961 0.106,962 5,964 1,965 3.77,966 241.628,968 18,969 130.606,973 1,974 20.208,975 7.836,976 5.267,978 195.554,979 6.261,980 20.863,984 3.495,986 67.313,987 479.261,988 41,991 -3.447,993 23.085,999 46.287,1000 51.345,1001 0.355,1002 0.732,1003 0.886,1004 0.926,1005 0.926,1006 0.926,1007 4.994,1008 1.751,1009 5.878,1010 5.207,1011 4.489,1012 5.112,1013 0.278,1014 6.706,1015 4.347,1016 6.271,1017 1.438,1018 7.454,1019 4.963,1020 4.369,1021 5.27,1023 7.774,1024 4.146,1025 7.631,1026 1.058,1027 9.127,1028 3.808,1029 6.159,1030 7.436,1031 0.05,1032 10.734,1033 5.896,1034 9.023,1035 0.426,1036 10.852,1037 2.919,1038 6.723,1039 8.282,1041 12.524,1042 6.388,1043 10.438,1044 0.141,1045 12.61,1046 1.037,1047 8.098,1048 10.031,1049 0.008,1050 15.081,1051 7.722,1052 11.872,1053 -0.309,1054 14.39,1055 0.362,1056 8.964,1057 11.186,1059 17.176,1060 8.524,1061 13.319,1062 -0.347,1063 16.186,1064 -0.87,1065 10.183,1066 12.772,1067 0.001,1068 19.59,1069 9.697,1070 3.168,1071 -0.442,1072 17.996,1073 -0.891,1074 11.19,1075 14.076,1077 21.82,1078 10.643,1079 3.083,1080 10.393,1081 19.816,1082 -1.146,1083 12.349,1084 15.591,1086 24.18,1087 11.75,1088 2.768,1089 10.317,1090 21.644,1091 4.449,1092 13.421,1093 16.972,1095 26.468,1096 12.763,1097 2.598,1098 8.502,1099 23.48,1100 4.142,1101 14.559,1102 18.457,1104 28.81,1105 13.847,1106 2.241,1107 7.52,1108 25.321,1109 3.851,1110 15.662,1111 19.878,1113 31.124,1114 14.891,1115 2.097,1116 6.587,1117 27.167,1118 3.616,1119 16.794,1120 21.35,1122 33.46,1123 15.966,1124 1.879,1125 5.818,1126 29.017,1127 2.903,1128 17.914,1129 22.794,1131 35.785,1132 17.026,1133 8695,1134 17104,1135 18.898,1136 31.267,1137 45.544,1138 47.255,1139 46.833,1140 45.406,1141 45.299,1142 61.636,1143 0.8,1144 134.867,1145 41.904,1146 5.457,1147 6.312,1148 5.868,1149 5.209,1150 5.168,1151 7.449,1152 0.8,1153 17.286,1154 4.918,1155 18.28,1156 1.518,1157 1.575,1158 1.561,1159 1.514,1160 1.51,1161 2.055,1162 0.027,1163 4.496,1164 1.397,1165 4.04,1166 4.061,1167 4.716,1168 3.967,1169 7.718,1170 3.91,1171 3.944,1172 3.961,1173 4.037,1174 3.839,1175 6.999,1176 3.813,1177 3.788,1178 3.802,1179 3.815,1180 3.689,1181 5.261,1182 3.641,1183 3.695,1184 3.736,1185 3.76,1186 3.505,1187 5.015,1188 3.535,1189 3.233,1190 3.31,1191 3.342,1192 3.074,1193 4.864,1194 3.067,1195 3.172,1196 3.278,1197 3.01,1198 2.952,1199 4.7,1200 2.946,1201 2.982,1202 3.057,1203 2.983,1204 2.802,1205 4.441,1206 2.809,1207 2.882,1208 2.988,1209 2.797,1210 2.645,1211 4.03,1212 2.652,1213 0.155,1214 0.144,1215 0.218,1216 0.137,1217 0.106,1218 4.654,1219 0.148,1220 4.312,1221 0.013,1222 6.545,1223 0.346,1224 4.109,1225 0.099,1226 3.168,1227 4.449,1228 0.4,1229 10.393,1230 2.972,1231 1.917,1232 1.891,1233 1.973,1234 2.065,1235 1.094,1236 2.056,1237 1.839,1238 1.819,1239 1.891,1240 1.992,1241 0.994,1242 1.985,1243 1.645,1244 1.66,1245 1.744,1246 1.835,1247 0.899,1248 1.852,1249 1.604,1250 1.55,1251 1.605,1252 1.767,1253 0.764,1254 1.789,1255 1.23,1256 1.156,1257 1.532,1258 1.445,1259 0.608,1260 1.48,1261 1.145,1262 1.052,1263 1.431,1264 1.441,1265 0.309,1266 1.459,1267 0.92,1268 0.856,1269 1.131,1270 1.177,1271 0.19,1272 1.188,1273 0.842,1274 0.748,1275 1.099,1276 1.153,1277 0.038,1278 1.161,1279 4.111,1281 5.468,1283 6.991,1285 8.595,1287 10.242,1289 4.457,1290 6.086,1293 5.722,1296 5.507,1305 30.249,1306 87.647,1307 180.994,1308 218.869,1309 228.869,1310 228.869,1311 228.869,1312 58.591,1313 7.307,1314 148.67,1315 157.05,1316 18,1317 12.505,1318 4.392,1319 3.585,1320 49.452,1321 104,1322 90,1323 0.232,1324 197.532,1325 331.12,1326 473.738,1327 14261,1328 2.2,1329 20.474,1330 0.731,1331 0.6,1332 21.224,1333 16.798,1334 13.103,1335 0.437,1336 0.341,1337 8.01,1338 11.451,1339 7.516,1340 6.288,1341 14.319,1342 10.23,1343 13.437,1344 0.305,1345 0.185,1346 15.227,1347 8.155,1348 9.112,1349 0.179,1350 0.084,1351 9.812,1352 4.302,1353 7.942,1354 0.115,1355 0.045,1356 8.697,1357 3.138,1358 6.658,1359 0.075,1360 0.025,1361 7.473,1362 2.199,1363 0.358,1364 95.273,1365 0.23,1366 26.394,1367 0.651,1368 148,1369 514.738,1370 212.763,1371 552.126,1372 733.91,1373 506,1374 169,1375 499.416,1376 234.514,1377 547.247,1378 783.37,1379 508,1380 6.793}
{0 CHEMBL2206920,1 1.997,2 9.862,3 1.654,4 2.737,5 106.491,6 9.498,7 0.581,8 3.969,9 4.076,10 3.857,11 3.465,12 5.19,13 3.47,14 4.458,15 4.61,16 4.13,17 3.782,18 5.932,19 3.791,20 4.599,21 4.757,22 4.144,23 3.877,24 5.923,25 3.881,26 4.61,27 4.786,28 4.19,29 3.914,30 5.854,31 3.896,32 4.708,33 4.874,34 4.274,35 3.973,36 6.105,37 3.952,38 4.767,39 4.972,40 4.171,41 3.986,42 6.018,43 3.925,44 4.729,45 4.941,46 4.098,47 3.874,48 6.007,49 3.818,50 4.572,51 4.796,52 3.955,53 3.76,54 5.776,55 3.66,56 0.222,57 0.773,58 8.332,59 3.697,60 22.211,61 3.755,62 0.67,63 1.092,64 19.198,65 6.447,66 68.972,67 7.045,68 0.767,69 1.211,70 18.382,71 5.831,72 75.589,73 6.084,74 0.622,75 1.261,76 19.241,77 7.011,78 48.535,79 8.023,80 0.899,81 1.329,82 18.937,83 6.768,84 76.121,85 8.01,86 0.813,87 1.315,88 31.156,89 9.642,90 63.42,91 11.405,92 0.97,93 1.163,94 24.867,95 7.022,96 102.144,97 8.21,98 0.736,99 0.965,100 31.952,101 8.351,102 68.772,103 10.499,104 55,105 45,106 0.339,107 0.702,108 0.857,109 0.871,110 0.871,111 0.871,112 3.408,113 1.001,114 -3.17,115 -3.16,116 -3.04,119 34.8,120 1,124 2,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 5,175 5,177 2,178 5,180 3,183 1,187 6,190 3,192 1,195 1,198 2,199 5,201 1,202 3,203 1,204 2,207 2,209 2,211 5,212 4,215 1,217 2,220 2,222 1,223 1,224 4,226 1,227 5,228 1,229 2,231 1,236 3,237 2,242 2,245 2,247 1,249 2,250 5,253 2,255 1,258 1,260 1,262 3,263 3,265 1,266 1,268 1,275 1341,276 18.66,277 18.66,278 18.66,279 18.66,280 18.66,281 16.045,282 24.094,283 10.753,284 19.48,285 15.285,286 15.285,287 15.285,288 15.285,289 15.285,290 11.239,291 33.16,292 5.103,293 16.625,294 3.527,295 1.394,296 0.484,297 0.397,298 0.397,299 0.397,300 4.083,301 1,304 1,305 1,306 593,307 3.674,311 286.102,318 1.472,319 41.556,322 0.75,323 0.83,324 0.83,325 0.5,327 0.67,328 0.5,329 0.58,330 65.333,331 286,332 4.655,333 4.312,334 6.546,335 4.111,336 3.173,337 4.45,338 0.86,339 10.409,340 2.965,341 4.448,342 3.199,343 6.513,344 4.034,345 3.083,346 4.143,347 0.4,348 10.35,349 2.925,350 4.213,351 3.083,352 6.049,353 3.732,354 2.794,355 3.869,357 8.809,358 2.613,359 4.008,360 2.829,361 5.575,362 3.518,363 2.604,364 3.617,366 7.552,367 2.375,368 3.585,369 2.687,370 5.268,371 3.185,372 2.265,373 2.918,375 6.686,376 2.084,377 3.456,378 2.364,379 4.968,380 2.997,381 2.104,382 2.775,384 5.819,385 1.803,386 3.232,387 2.085,388 4.835,389 2.796,390 1.879,391 2.481,393 5.243,394 1.72,395 3.147,396 1.936,397 4.618,398 2.682,399 1.762,400 2.386,402 4.963,403 1.593,404 2.871,405 1.805,406 4.343,407 2.417,408 1.5,409 2.004,411 4.076,412 1.367,413 2.55,414 1.101,415 3.939,416 2,417 1.058,418 1.575,420 2.92,421 0.993,422 1.899,423 1.065,424 3.193,425 1.561,426 0.702,427 0.811,428 1.375,429 0.598,430 1.507,431 0.74,432 3.106,433 1.135,434 0.26,435 0.312,436 0.604,437 0.213,438 1.154,439 0.671,440 2.794,441 0.835,442 -0.078,443 -0.091,445 -0.165,446 -0.071,447 1,448 0.198,449 2.63,450 0.573,451 -0.347,452 -0.445,454 -0.891,455 -0.289,456 1,457 -0.042,458 2.382,459 0.537,460 -0.366,461 -0.449,463 -0.945,464 -0.318,465 13.748,466 0.474,467 1.031,468 0.036,469 43.25,470 1.491,471 23,472 0.793,473 20.25,474 0.698,475 21.746,476 0.75,477 31.852,478 0.692,479 34.714,480 1.197,481 8.39,482 0.289,483 5.251,484 0.181,485 0.239,486 0.061,487 0.327,493 0.79,494 1.617,495 0.692,496 1.244,497 0.82,498 0.897,499 0.751,500 1.06,501 0.843,502 0.97,503 0.522,504 0.754,505 1.385,506 1.091,507 1.01,508 0.805,509 1.424,510 0.926,511 0.865,512 1.076,513 0.756,514 0.96,515 0.65,516 0.924,517 0.787,518 1.142,519 0.805,520 0.972,521 0.854,522 1.077,523 0.812,524 1.063,525 1.008,526 1.104,527 0.653,528 1.005,529 1.295,530 0.846,531 0.996,532 0.748,533 1.429,534 0.983,535 0.804,536 0.921,537 1.265,538 1.075,539 0.655,540 1.022,541 9,542 0.285,543 2.889,544 2.313,545 2.12,546 1.319,547 0.791,548 0.585,549 0.411,550 0.357,551 9517,552 37500,553 1.965,554 37,556 8,558 2,559 4,560 3,564 1.724,565 1.785,566 3.298,567 1.834,569 1,573 91.842,574 1.997,575 4.129,576 5.04,577 5.127,578 5.127,579 5.127,580 2.635,581 4.418,582 4.832,583 3.5,584 1420.92,585 8.442,586 19247.2,588 1,590 1,591 254.084,592 1.713,593 4.748,594 0.29,595 0.012,596 0.064,597 0.053,598 0.047,599 0.029,600 0.018,601 0.017,602 0.013,603 0.012,604 0.554,605 0.17,606 0.88,607 1.096,608 146.148,609 -0.086,610 -0.341,611 0.117,612 -0.141,613 -0.237,614 -0.001,615 0.205,616 0.058,617 0.033,618 0.051,619 0.344,620 0.159,621 -0.361,622 -0.004,623 -0.218,624 0.032,625 -0.355,626 -0.09,627 -0.047,628 0.017,629 0.027,630 -0.022,631 -0.011,632 0.004,633 0.123,634 -0.059,635 -0.045,636 -0.097,637 0.025,638 -0.193,639 0.045,640 -0.08,641 -0.018,642 -0.067,643 0.104,644 0.024,645 -0.263,646 0.102,647 -0.079,648 0.108,649 -0.282,650 -0.049,651 0.098,652 -0.063,653 0.02,654 -0.027,655 0.108,656 0.085,657 4.454,658 4.603,659 0.621,660 25.715,661 1.035,662 1.142,663 1.937,664 3.751,665 0.69,666 3.466,667 3.829,668 3.989,669 4.29,670 4.533,671 4.595,672 4.635,673 4.762,674 4.836,675 4.875,676 6.387,677 0.673,678 436.93,679 3.466,680 5.03,681 5.855,682 6.753,683 7.6,684 8.499,685 9.356,686 10.253,687 11.115,688 12.011,689 17.4,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,729 1,730 1,731 46,733 20,735 31,737 48,738 16,739 13,746 3,747 3,748 1,752 1,761 13,762 3,766 2,769 1,771 2,778 1,781 17,782 11,783 4,784 13,785 2,790 8,794 1,795 3,805 2,812 3,840 3,842 1,844 3,845 1,848 29,849 1,852 1,855 2,856 1,869 1,870 6.5,873 2,875 1,877 16.25,878 9.226,879 6.208,880 2.25,881 3.659,882 1.496,883 0.978,884 6.146,885 11.037,886 3.761,887 4.437,888 4.877,889 5.489,890 6.062,891 6.295,892 6.62,893 7.047,894 7.384,895 7.688,896 1,897 44,898 10.801,900 4.728,901 8.104,902 19.401,904 15.248,905 2.604,906 75.528,910 153.024,911 95.651,912 151.241,913 39.149,914 55.313,916 5.807,917 89.843,918 247.486,919 151.241,920 26.899,922 57.657,923 168.188,924 63.961,925 9.042,926 129.482,927 39.149,928 153.024,929 241.084,930 55.313,931 44.956,933 157.68,934 55.313,937 46.83,938 89.265,939 145.289,941 153.024,942 206.553,943 134.799,945 5.807,946 153.024,947 25.897,948 63.946,949 34.416,950 211.286,951 153.024,952 206.553,953 134.799,955 0.592,956 0.312,957 0.175,958 0.104,959 21,960 11,961 0.125,962 6,964 1,965 3.841,966 253.606,968 18,969 138.881,973 1,974 21.145,975 8.429,976 5.489,978 206.553,979 6.036,980 20.73,984 2.694,986 67.313,987 494.377,988 42,991 -3.537,993 23.205,999 47.614,1000 52.555,1001 0.361,1002 0.748,1003 0.912,1004 0.928,1005 0.928,1006 0.928,1007 5.014,1008 1.762,1009 5.9,1010 5.243,1011 4.511,1012 5.124,1013 1.029,1014 6.73,1015 4.354,1016 6.284,1017 1.5,1018 7.476,1019 4.963,1020 4.369,1021 5.27,1023 7.803,1024 4.128,1025 7.643,1026 1.058,1027 9.149,1028 4.076,1029 6.18,1030 7.444,1031 0.763,1032 10.768,1033 5.893,1034 9.033,1035 0.702,1036 10.875,1037 2.92,1038 6.735,1039 8.288,1041 12.565,1042 6.372,1043 10.449,1044 0.26,1045 12.634,1046 1.375,1047 8.118,1048 10.039,1049 0.597,1050 15.122,1051 7.711,1052 11.882,1053 -0.078,1054 14.416,1055 0.604,1056 8.981,1057 11.193,1059 17.223,1060 8.505,1061 13.33,1062 -0.347,1063 16.215,1064 -0.165,1065 10.204,1066 12.779,1067 0.47,1068 19.636,1069 9.679,1070 3.173,1071 -0.366,1072 18.026,1073 -0.891,1074 11.21,1075 14.084,1077 21.868,1078 10.621,1079 3.083,1080 10.409,1081 19.848,1082 -0.945,1083 12.371,1084 15.599,1085 0.367,1086 24.229,1087 11.729,1088 2.794,1089 10.35,1090 21.678,1091 4.45,1092 13.443,1093 16.98,1095 26.518,1096 12.739,1097 2.604,1098 8.809,1099 23.515,1100 4.143,1101 14.582,1102 18.464,1103 0.283,1104 28.86,1105 13.821,1106 2.265,1107 7.552,1108 25.358,1109 3.869,1110 15.686,1111 19.885,1113 31.174,1114 14.864,1115 2.104,1116 6.686,1117 27.205,1118 3.617,1119 16.819,1120 21.358,1121 0.217,1122 33.51,1123 15.938,1124 1.879,1125 5.819,1126 29.056,1127 2.918,1128 17.938,1129 22.801,1131 35.836,1132 16.996,1133 9511,1134 19050,1135 19.592,1136 31.722,1137 46.627,1138 48.616,1139 48.228,1140 46.424,1141 46.373,1142 62.68,1143 2.52,1144 137.614,1145 42.499,1146 5.458,1147 6.312,1148 6.087,1149 5.211,1150 5.173,1151 7.45,1152 1.72,1153 17.302,1154 4.91,1155 18.764,1156 1.504,1157 1.568,1158 1.556,1159 1.498,1160 1.496,1161 2.022,1162 0.081,1163 4.439,1164 1.371,1165 4.036,1166 4.055,1167 4.716,1168 3.961,1169 7.718,1170 3.902,1171 3.943,1172 3.956,1173 4.036,1174 3.838,1175 6.999,1176 3.807,1177 3.781,1178 3.799,1179 3.811,1180 3.664,1181 5.261,1182 3.629,1183 3.692,1184 3.727,1185 3.76,1186 3.504,1187 5.026,1188 3.534,1189 3.276,1190 3.335,1191 3.343,1192 3.012,1193 4.944,1194 3.029,1195 3.172,1196 3.278,1197 3.071,1198 2.949,1199 4.7,1200 2.946,1201 3.024,1202 3.095,1203 2.989,1204 2.828,1205 4.496,1206 2.834,1207 2.932,1208 3.029,1209 2.818,1210 2.703,1211 4.341,1212 2.714,1213 0.15,1214 0.139,1215 0.211,1216 0.133,1217 0.102,1218 4.655,1219 0.144,1220 4.312,1221 0.028,1222 6.546,1223 0.336,1224 4.111,1225 0.096,1226 3.173,1227 4.45,1228 0.86,1229 10.409,1230 2.965,1231 1.905,1232 1.88,1233 1.949,1234 2.06,1235 1.059,1236 2.045,1237 1.824,1238 1.813,1239 1.859,1240 1.985,1241 0.99,1242 1.981,1243 1.64,1244 1.647,1245 1.739,1246 1.835,1247 0.86,1248 1.845,1249 1.598,1250 1.548,1251 1.603,1252 1.761,1253 0.762,1254 1.778,1255 1.206,1256 1.138,1257 1.567,1258 1.519,1259 0.575,1260 1.534,1261 1.145,1262 1.053,1263 1.431,1264 1.442,1265 0.312,1266 1.46,1267 0.963,1268 0.897,1269 1.156,1270 1.208,1271 0.227,1272 1.217,1273 0.867,1274 0.786,1275 1.103,1276 1.165,1277 0.039,1278 1.162,1279 4.143,1281 5.493,1283 7.015,1285 8.62,1287 10.269,1289 4.095,1290 6.088,1293 5.723,1296 5.402,1297 5.092,1305 30.964,1306 91.842,1307 189.945,1308 231.819,1309 235.819,1310 235.819,1311 235.819,1312 61.828,1313 7.378,1314 157.9,1315 166.28,1316 18,1317 12.542,1318 4.392,1319 3.585,1320 52.193,1321 111,1322 93,1323 0.231,1324 201.528,1325 339.91,1326 483.488,1327 15502,1328 2.2,1329 21.181,1330 0.73,1331 0.593,1332 21.931,1333 17.206,1334 13.641,1335 0.44,1336 0.334,1337 8.081,1338 11.845,1339 7.611,1340 6.369,1341 14.857,1342 10.342,1343 13.628,1344 0.303,1345 0.18,1346 15.418,1347 8.079,1348 9.414,1349 0.178,1350 0.08,1351 10.114,1352 4.26,1353 8.357,1354 0.116,1355 0.043,1356 9.094,1357 3.129,1358 6.727,1359 0.073,1360 0.022,1361 7.531,1362 2.066,1363 0.357,1364 99.616,1365 0.226,1366 27.173,1367 0.648,1368 152,1369 562.474,1370 219.752,1371 590.022,1372 782.01,1373 542,1374 174,1375 529.962,1376 242.726,1377 577.085,1378 827.92,1379 534,1380 6.943}
{0 CHEMBL2206921,1 2.022,2 10.533,3 2.121,4 4.498,5 114.175,6 10.008,7 0.563,8 3.99,9 4.102,10 3.92,11 3.495,12 5.201,13 3.497,14 4.486,15 4.653,16 4.266,17 3.849,18 5.948,19 3.84,20 4.636,21 4.778,22 4.311,23 3.997,24 5.985,25 3.966,26 4.781,27 4.976,28 4.289,29 3.986,30 6.077,31 3.938,32 4.67,33 4.845,34 4.38,35 3.951,36 6.106,37 3.947,38 4.67,39 4.843,40 4.271,41 4.02,42 5.971,43 3.959,44 4.771,45 4.996,46 4.216,47 3.954,48 6.005,49 3.877,50 4.512,51 4.693,52 4.061,53 3.815,54 5.8,55 3.709,56 0.227,57 0.799,58 7.551,59 3.533,60 22.913,61 3.608,62 0.707,63 1.137,64 16.248,65 6.053,66 62.61,67 6.851,68 0.655,69 1.278,70 23.725,71 7.755,72 51.242,73 7.318,74 1.017,75 1.265,76 32.633,77 8.855,78 117.602,79 9.19,80 0.892,81 1.242,82 20.747,83 6.51,84 88.683,85 7.501,86 0.626,87 1.259,88 21,89 8.496,90 42.318,91 10.036,92 1.007,93 1.161,94 34.442,95 8.08,96 97.81,97 9.452,98 0.676,99 0.951,100 24.777,101 7.425,102 52.389,103 8.395,104 68,105 47,106 0.342,107 0.695,108 0.831,109 0.846,110 0.846,111 0.846,112 3.441,113 0.986,114 -3.81,115 -3.77,116 -3.58,119 34,120 1,124 2,142 2,143 1,144 3,145 2,147 2,149 2,150 1,163 1,164 1,165 1,172 1,174 6,175 6,177 2,178 6,180 3,183 1,187 5,190 2,192 2,195 2,198 2,199 6,201 1,202 3,203 1,204 2,207 2,209 2,211 4,212 7,217 3,220 2,222 1,223 1,224 4,226 1,227 6,228 1,229 2,231 1,236 2,237 2,242 2,245 3,247 1,249 3,250 5,253 2,255 1,258 2,260 1,262 1,263 6,265 1,266 1,268 1,275 1444,276 19.074,277 19.074,278 19.074,279 19.074,280 19.074,281 16.467,282 25.633,283 10.864,284 19.809,285 15.764,286 15.764,287 15.764,288 15.764,289 15.764,290 11.749,291 36.034,292 5.181,293 17.093,294 3.532,295 1.45,296 0.644,297 0.559,298 0.559,299 0.559,300 4.113,301 1,302 1,304 1,305 1,306 655,307 3.937,311 297.98,318 1.564,319 44.055,322 0.75,323 0.67,324 0.83,325 0.5,327 0.67,328 0.5,329 0.56,330 67.167,331 316,332 4.792,333 3.444,334 7.229,335 4.345,336 3.361,337 4.565,338 0.4,339 12.081,340 3.309,341 4.448,342 3.197,343 6.544,344 4.039,345 3.087,346 4.143,347 0.4,348 10.384,349 2.939,350 4.204,351 3.097,352 6.06,353 3.737,354 2.809,355 3.859,357 8.711,358 2.601,359 4.007,360 2.829,361 5.572,362 3.514,363 2.602,364 3.616,366 7.529,367 2.366,368 3.57,369 2.693,370 5.251,371 3.15,372 2.246,373 2.904,375 6.604,376 2.011,377 3.448,378 2.366,379 4.968,380 2.994,381 2.099,382 2.764,384 5.818,385 1.803,386 3.232,387 2.085,388 4.826,389 2.796,390 1.879,391 2.481,393 5.21,394 1.72,395 3.142,396 1.92,397 4.618,398 2.671,399 1.752,400 2.381,402 4.963,403 1.582,404 2.854,405 1.831,406 4.47,407 2.419,408 1.53,409 1.984,411 3.981,412 1.325,413 2.55,414 1.502,415 4.028,416 2.205,417 1.275,418 1.575,420 3.074,421 1.169,422 2.512,423 1.069,424 3.938,425 2,426 1.058,427 1.47,428 2.919,429 0.993,430 1.68,431 0.838,432 3.098,433 1.268,434 0.423,435 0.51,436 1.029,437 0.326,438 1.408,439 0.562,440 3.017,441 0.997,442 0.127,443 0.154,445 0.32,446 0.098,447 1,448 -0.01,449 2.699,450 0.585,451 -0.321,452 -0.398,454 -0.891,455 -0.264,456 1,457 -0.126,458 2.382,459 0.571,460 -0.347,461 -0.445,463 -0.906,464 -0.318,465 14.529,466 0.484,467 1.125,468 0.038,469 43.5,470 1.45,471 22.5,472 0.75,473 21,474 0.7,475 24.017,476 0.801,477 32.871,478 0.699,479 35.928,480 1.198,481 8.413,482 0.28,483 5.634,484 0.188,485 0.275,486 0.057,487 0.337,493 0.74,494 1.745,495 0.625,496 1.22,497 0.802,498 0.878,499 0.554,500 0.869,501 0.618,502 0.668,503 0.485,504 0.626,505 1.19,506 1.373,507 1.231,508 1.343,509 1.04,510 1.107,511 1.403,512 0.878,513 0.898,514 0.776,515 1.635,516 0.869,517 0.765,518 1.017,519 0.678,520 0.849,521 0.825,522 0.858,523 0.656,524 1.21,525 0.895,526 1.105,527 0.575,528 1.135,529 1.24,530 0.809,531 1.183,532 0.813,533 0.995,534 0.94,535 1.003,536 1.032,537 1.399,538 1.203,539 0.799,540 1.281,541 9.5,542 0.305,543 4,544 2.313,545 2.16,546 1.257,547 0.874,548 0.641,549 0.435,550 0.387,551 10498,552 42447,553 1.948,554 36.2,556 8,558 2,559 4,560 3,564 1.732,565 1.756,566 3.4,567 1.829,569 1,573 95.049,574 2.022,575 4.105,576 4.911,577 4.996,578 4.996,579 4.996,580 2.737,581 4.507,582 4.882,583 3.571,584 1553.46,585 8.535,586 21525.4,591 261.066,592 1.731,593 4.788,594 0.297,595 0.011,596 0.085,597 0.048,598 0.049,599 0.026,600 0.019,601 0.017,602 0.014,603 0.012,604 0.579,605 0.17,606 0.75,607 1.163,608 153.212,609 -0.072,610 -0.452,611 0.093,612 -0.19,613 -0.234,614 -0.019,615 0.337,616 0.267,617 0.148,618 0.252,619 0.345,620 0.247,621 -0.268,622 -0.203,623 -0.278,624 -0.26,625 -0.123,626 -0.214,627 -0.274,628 0.074,629 -0.015,630 0.16,631 -0.302,632 0.078,633 0.181,634 0.032,635 0.112,636 -0.005,637 0.107,638 0.03,639 0.113,640 -0.156,641 -0.046,642 -0.17,643 0.068,644 -0.166,645 -0.246,646 0.101,647 -0.105,648 0.094,649 -0.154,650 0.044,651 -0.066,652 -0.056,653 -0.233,654 -0.184,655 -0.033,656 -0.279,657 4.689,658 5.109,659 0.6,660 27.076,661 1.036,662 1.144,663 2.58,664 6.659,665 0.705,666 3.497,667 3.871,668 4.06,669 4.277,670 4.543,671 4.585,672 4.654,673 4.771,674 4.86,675 4.868,676 6.617,677 0.683,678 470.39,679 3.497,680 5.069,681 5.905,682 6.797,683 7.657,684 8.547,685 9.415,686 10.305,687 11.177,688 12.066,689 19.1,692 1,693 1,694 1,697 1,699 5,702 1,704 4,705 5,709 9,711 18,722 1,724 1,730 2,731 47,733 20,735 32,737 49,738 16,739 13,746 3,747 3,748 2,752 1,761 13,762 3,766 2,769 1,771 2,778 1,781 17,782 11,783 4,784 14,785 3,790 9,794 1,795 2,805 2,812 3,840 3,842 1,844 3,845 2,848 30,849 1,852 1,855 2,859 1,869 2,870 4.3,873 2,877 17.083,878 9.402,879 6.375,880 2.344,881 3.663,882 1.492,883 0.981,884 6.597,885 11.104,886 3.784,887 4.46,888 4.929,889 5.473,890 6.056,891 6.272,892 6.614,893 7.044,894 7.388,895 7.659,896 0.857,897 48,898 11.224,900 4.972,901 8.105,902 20.067,904 15.838,905 2.605,906 78.139,910 153.024,911 92.389,912 152.759,913 78.297,914 44.313,916 5.569,917 86.82,918 275.635,919 152.759,920 25.618,922 57.419,923 168.188,924 54.48,925 46.447,926 129.482,927 39.149,928 153.024,929 239.579,930 44.313,931 83.866,933 157.68,934 44.313,937 48.348,938 86.242,939 145.05,940 39.149,941 153.024,942 197.072,943 170.686,945 5.569,946 153.024,947 24.154,948 64.184,949 34.416,950 239.435,951 153.024,952 197.072,953 170.686,955 0.603,956 0.336,957 0.162,958 0.098,959 22,960 12,961 0.122,962 6,964 1,965 3.897,966 265.985,968 18,969 141.207,973 1,974 22.401,975 8.835,976 5.459,978 197.072,979 5.945,980 20.638,984 2.399,986 67.313,987 520.782,988 43,991 -3.772,993 24.217,999 48.713,1000 53.788,1001 0.364,1002 0.739,1003 0.884,1004 0.899,1005 0.899,1006 0.899,1007 5.047,1008 1.752,1009 5.958,1010 5.21,1011 4.554,1012 5.147,1013 0.495,1014 6.808,1015 4.406,1016 6.319,1017 1.53,1018 7.56,1019 4.963,1020 4.443,1021 5.301,1023 7.97,1024 4.251,1025 7.681,1026 1.275,1027 9.265,1028 3.981,1029 6.244,1030 7.47,1031 0.097,1032 10.971,1033 6.009,1034 9.078,1035 1.058,1036 11.033,1037 3.074,1038 6.858,1039 8.341,1041 12.924,1042 6.61,1043 10.504,1044 0.423,1045 12.842,1046 2.919,1047 8.242,1048 10.09,1049 0.016,1050 15.535,1051 7.96,1052 11.952,1053 0.127,1054 14.682,1055 1.029,1056 9.17,1057 11.278,1059 17.803,1060 8.887,1061 13.417,1062 -0.321,1063 16.545,1064 0.32,1065 10.41,1066 12.869,1067 0.003,1068 20.302,1069 10.103,1070 3.361,1071 -0.347,1072 18.427,1073 -0.891,1074 11.478,1075 14.207,1077 22.693,1078 11.169,1079 3.087,1080 12.081,1081 20.324,1082 -0.906,1083 12.671,1084 15.734,1086 25.165,1087 12.345,1088 2.809,1089 10.384,1090 22.234,1091 4.565,1092 13.801,1093 17.146,1095 27.605,1096 13.471,1097 2.602,1098 8.711,1099 24.154,1100 4.143,1101 14.982,1102 18.649,1104 30.074,1105 14.64,1106 2.246,1107 7.529,1108 26.082,1109 3.859,1110 16.142,1111 20.1,1113 32.535,1114 15.793,1115 2.099,1116 6.604,1117 28.017,1118 3.616,1119 17.323,1120 21.595,1122 35.008,1123 16.964,1124 1.879,1125 5.818,1126 29.958,1127 2.904,1128 18.498,1129 23.068,1131 37.48,1132 18.132,1133 10497,1134 21292,1135 19.997,1136 33.131,1137 48.76,1138 49.829,1139 50.863,1140 48.544,1141 48.495,1142 64.812,1143 1.6,1144 145.243,1145 44.484,1146 5.634,1147 5.444,1148 6.552,1149 5.445,1150 5.361,1151 7.565,1152 0.8,1153 19.067,1154 5.254,1155 20.428,1156 1.524,1157 1.557,1158 1.589,1159 1.517,1160 1.515,1161 2.025,1162 0.05,1163 4.539,1164 1.39,1165 4.039,1166 4.058,1167 4.722,1168 3.939,1169 7.717,1170 3.901,1171 3.947,1172 3.964,1173 4.046,1174 3.831,1175 6.999,1176 3.803,1177 3.786,1178 3.819,1179 3.948,1180 3.668,1181 5.262,1182 3.629,1183 3.691,1184 3.736,1185 3.76,1186 3.504,1187 5.056,1188 3.534,1189 3.25,1190 3.321,1191 3.439,1192 3.018,1193 4.981,1194 3.006,1195 3.172,1196 3.278,1197 3.213,1198 2.968,1199 4.7,1200 2.953,1201 3.077,1202 3.121,1203 3.097,1204 2.895,1205 4.495,1206 2.892,1207 2.944,1208 3.03,1209 2.99,1210 2.746,1211 4.297,1212 2.755,1213 0.15,1214 0.108,1215 0.226,1216 0.136,1217 0.105,1218 4.792,1219 0.143,1220 3.444,1221 0.013,1222 7.229,1223 0.378,1224 4.345,1225 0.103,1226 3.361,1227 4.565,1228 0.4,1229 12.081,1230 3.309,1231 1.904,1232 1.875,1233 1.944,1234 2.056,1235 1.048,1236 2.042,1237 1.819,1238 1.803,1239 1.846,1240 1.982,1241 0.982,1242 1.984,1243 1.645,1244 1.635,1245 1.757,1246 1.862,1247 0.877,1248 1.862,1249 1.601,1250 1.548,1251 1.732,1252 1.787,1253 0.763,1254 1.781,1255 1.165,1256 1.106,1257 1.431,1258 1.442,1259 0.469,1260 1.464,1261 1.145,1262 1.054,1263 1.417,1264 1.43,1265 0.416,1266 1.459,1267 0.963,1268 0.925,1269 1.188,1270 1.239,1271 0.307,1272 1.308,1273 0.934,1274 0.804,1275 1.109,1276 1.188,1277 0.099,1278 1.185,1279 4.174,1281 5.533,1283 7.069,1285 8.686,1287 10.343,1289 4.453,1290 12.128,1293 5.727,1296 5.394,1300 1.01,1305 32.098,1306 95.049,1307 192.927,1308 230.801,1309 234.801,1310 234.801,1311 234.801,1312 69.211,1313 7.441,1314 151.91,1315 160.29,1316 18,1317 12.599,1318 4.392,1319 3.585,1320 55.09,1321 120,1322 104,1323 0.226,1324 212.659,1325 357.33,1326 510.648,1327 17047,1328 4.3,1329 22.052,1330 0.735,1331 0.613,1332 23.302,1333 18.379,1334 14.047,1335 0.439,1336 0.329,1337 8.321,1338 11.951,1339 7.855,1340 6.572,1341 15.445,1342 10.514,1343 14.019,1344 0.298,1345 0.189,1346 16.183,1347 8.87,1348 10.589,1349 0.186,1350 0.099,1351 12.407,1352 5.628,1353 8.067,1354 0.114,1355 0.046,1356 9.124,1357 3.268,1358 6.841,1359 0.074,1360 0.025,1361 8.188,1362 2.368,1363 0.352,1364 103.774,1365 0.224,1366 28.006,1367 0.631,1368 158,1369 570.587,1370 247.972,1371 633.601,1372 834.97,1373 580,1374 183,1375 545.884,1376 269.386,1377 610.151,1378 883.63,1379 566,1380 8.114}
{0 CHEMBL2206922,1 2.005,2 11.909,3 2.431,4 5.911,5 123.201,6 10.508,7 0.667,8 4.025,9 4.124,10 3.985,11 3.605,12 5.277,13 3.605,14 4.493,15 4.622,16 4.331,17 3.956,18 5.989,19 3.95,20 4.682,21 4.827,22 4.414,23 4.072,24 6.034,25 4.047,26 4.731,27 4.893,28 4.416,29 4.052,30 6.123,31 4.015,32 4.721,33 4.875,34 4.446,35 4.03,36 6.213,37 4.035,38 4.705,39 4.871,40 4.336,41 4.077,42 6.037,43 4.032,44 4.756,45 4.956,46 4.374,47 4.032,48 6.058,49 3.983,50 4.581,51 4.748,52 4.212,53 3.94,54 5.903,55 3.849,56 0.228,57 0.838,58 5.721,59 3.751,60 25.544,61 3.1,62 0.585,63 1.232,64 10.844,65 6.121,66 64.851,67 5.98,68 0.688,69 1.401,70 18.433,71 7.577,72 56.96,73 6.414,74 0.842,75 1.388,76 26.535,77 8.811,78 87.264,79 8.043,80 0.936,81 1.358,82 18.852,83 7.206,84 102.222,85 6.241,86 0.695,87 1.363,88 20.305,89 8.56,90 58.701,91 9.109,92 0.917,93 1.319,94 24.984,95 8.059,96 91.401,97 8.047,98 0.711,99 1.094,100 25.316,101 8.041,102 60.492,103 8.414,104 37,105 52,106 0.333,107 0.67,108 0.842,109 0.897,110 0.897,111 0.897,112 3.532,113 0.954,114 -3.07,115 -3.06,116 -2.95,119 39.6,120 1,142 4,143 1,144 4,145 4,147 2,149 2,150 1,163 1,164 1,165 1,172 2,174 4,175 7,177 2,178 5,180 3,183 1,187 8,190 2,192 3,195 2,198 4,199 7,201 1,202 4,203 1,204 3,207 2,209 2,211 3,212 6,217 3,220 3,222 1,223 1,224 6,226 1,227 5,228 1,229 2,231 1,232 2,236 3,237 4,242 3,245 4,247 1,249 2,250 4,253 3,255 2,258 2,260 1,262 1,263 6,265 1,266 1,268 1,271 1,275 1880,276 21.643,277 21.643,278 21.643,279 21.643,280 21.643,281 18.338,282 22.647,283 12.618,284 22.544,285 17.798,286 17.798,287 17.798,288 17.798,289 17.798,290 12.861,291 29.544,292 6.06,293 19.405,294 3.58,295 1.547,296 0.516,297 0.182,298 0.182,299 0.182,300 4.222,301 1,302 1,306 842,307 3.606,311 441.295,318 1.747,319 48.329,322 0.5,323 0.67,324 0.67,325 0.2,327 0.5,328 0.5,329 0.43,330 73.167,331 393,332 4.858,333 4.686,334 7.311,335 4.315,336 3.397,337 4.707,338 0.4,339 12.526,340 3.09,341 4.449,342 3.214,343 6.544,344 4.039,345 3.087,346 4.143,348 10.384,349 2.938,350 4.212,351 3.143,352 6.07,353 3.741,354 2.818,355 3.869,357 8.762,358 2.594,359 4.007,360 2.829,361 5.572,362 3.515,363 2.603,364 3.616,366 7.533,367 2.367,368 3.589,369 2.693,370 5.255,371 3.163,372 2.252,373 3.055,375 6.618,376 2.054,377 3.534,378 2.367,379 4.968,380 3.002,381 2.102,382 2.899,384 5.818,385 1.911,386 3.445,387 2.09,388 4.915,389 2.97,390 2.014,391 2.762,393 5.368,394 1.803,395 3.232,396 2.083,397 4.823,398 2.796,399 1.879,400 2.481,402 5.19,403 1.72,404 3.142,405 1.889,406 4.618,407 2.668,408 1.75,409 2.381,411 4.963,412 1.577,413 2.85,414 1.749,415 4.178,416 2.345,417 1.453,418 1.986,420 3.775,421 1.254,422 2.687,423 1.26,424 3.939,425 2.135,426 1.169,427 1.749,428 2.92,429 1.123,430 2.55,431 1.069,432 3.62,433 2,434 1.058,435 1.575,436 2.73,437 0.993,438 2.5,439 1,440 3.247,441 1.956,442 1,443 1.5,445 2.136,446 0.953,447 1.681,448 0.838,449 3.12,450 1.269,451 0.424,452 0.511,454 1.031,455 0.326,456 1.409,457 0.567,458 3.089,459 1.001,460 0.131,461 0.159,463 0.332,464 0.102,465 16.029,466 0.486,467 1.05,468 0.032,469 51.5,470 1.561,471 28.5,472 0.864,473 23,474 0.697,475 24.398,476 0.739,477 34.371,478 0.716,479 41.967,480 1.272,481 9.937,482 0.301,483 5.771,484 0.175,485 0.187,486 0.052,487 0.312,493 0.738,494 1.453,495 0.621,496 1.064,497 0.796,498 0.77,499 0.606,500 1.048,501 0.662,502 0.856,503 0.553,504 0.794,505 1.16,506 1.206,507 1.042,508 1.093,509 1.051,510 0.999,511 1.135,512 0.954,513 0.982,514 1.003,515 1.245,516 0.972,517 1.046,518 1.017,519 0.802,520 0.904,521 1.174,522 0.888,523 0.817,524 1.091,525 0.925,526 1.003,527 0.773,528 1.041,529 1.114,530 0.836,531 1.001,532 0.76,533 0.943,534 0.885,535 1.029,536 1.013,537 1.499,538 1.202,539 0.807,540 1.256,541 9,542 0.277,543 4,544 2.75,545 2.249,546 1.361,547 0.875,548 0.656,549 0.46,550 0.372,551 14872,552 57398,553 2.036,554 31.3,556 4,558 4,559 4,560 3,564 1.755,565 1.877,566 3.548,567 1.723,569 1,573 96.235,574 2.005,575 4.038,576 5.069,577 5.403,578 5.403,579 5.403,580 2.939,581 4.56,582 5.019,583 3.721,584 1964.6,585 8.805,586 29196.4,591 268.078,592 1.628,593 4.954,594 0.25,595 0.009,596 0.077,597 0.052,598 0.044,599 0.026,600 0.017,601 0.014,602 0.012,603 0.011,604 0.511,605 0.17,606 0.75,607 0.6,608 174.423,609 -0.086,610 -0.26,611 0.07,612 -0.095,613 -0.229,614 0.026,615 0.238,616 0.065,617 0.058,618 0.046,619 0.271,620 0.034,621 -0.228,622 -0.129,623 -0.141,624 -0.113,625 -0.147,626 -0.122,627 -0.078,628 0.06,629 -0.035,630 0.008,631 -0.082,632 -0.033,633 0.026,635 0.024,636 -0.025,637 0.006,638 -0.015,639 0.037,640 -0.108,641 -0.042,642 -0.078,643 0.01,644 -0.071,645 -0.136,646 0.116,647 0.024,648 0.152,649 -0.105,650 0.108,651 -0.06,652 -0.086,653 -0.238,654 -0.179,655 -0.026,656 -0.23,657 4.847,658 5.645,659 0.727,660 31.726,661 1.038,662 1.133,663 1.835,664 3.368,665 0.737,666 3.611,667 3.97,668 4.19,669 4.454,670 4.7,671 4.718,672 4.812,673 4.913,674 5.017,675 5.063,676 7.207,677 0.72,678 504.4,679 3.611,680 5.176,681 6.019,682 6.911,683 7.773,684 8.666,685 9.536,686 10.429,687 11.303,688 12.195,689 18.8,693 1,694 1,697 1,699 6,702 1,704 8,705 6,709 10,711 24,722 1,724 1,730 2,731 48,733 26,735 36,737 51,738 19,739 18,746 4,747 4,748 2,752 1,761 18,762 1,766 2,769 1,771 2,781 15,782 11,783 4,784 14,785 3,790 9,794 1,795 2,805 3,812 4,840 4,842 1,844 1,845 2,848 33,849 1,852 1,855 2,869 2,870 4.2,873 2,877 17.583,878 8.986,879 7.042,880 2.474,881 4.447,882 1.566,883 1.013,884 6.584,885 12.3,886 3.932,887 4.605,888 5.124,889 5.7,890 6.261,891 6.432,892 6.789,893 7.159,894 7.531,895 7.837,896 0.875,897 53,898 12.379,900 5.609,901 8.07,902 22.126,904 17.82,905 2.57,906 84.806,910 129.482,911 114.432,912 168.026,913 78.297,914 44.313,916 5.807,917 108.625,918 252.092,919 168.026,920 8.825,922 76.61,923 208.516,924 72.607,925 46.447,926 82.398,927 39.149,928 129.482,929 276.651,930 44.313,931 84.105,933 134.138,934 44.313,937 64.925,938 89.952,939 162.074,940 39.149,941 129.482,942 212.339,943 192.73,945 5.807,946 129.482,947 25.705,948 82.92,949 34.416,950 256.221,951 129.482,952 212.339,953 192.73,955 0.593,956 0.333,957 0.179,958 0.104,959 25,960 12,961 0.118,962 6,964 1,965 4.252,966 309.189,968 24,969 162.465,973 1,974 23.08,975 9.413,976 5.462,978 212.339,979 11.531,980 24.554,984 2.235,986 67.313,987 534.551,988 50,991 -3.93,993 25.289,999 49.829,1000 54.372,1001 0.359,1002 0.723,1003 0.908,1004 0.967,1005 0.967,1006 0.967,1007 5.176,1008 1.879,1009 6.047,1010 5.368,1011 4.654,1012 5.293,1013 0.278,1014 6.891,1015 4.488,1016 6.436,1017 1.75,1018 7.634,1019 5.19,1020 4.443,1021 5.338,1023 8.021,1024 4.161,1025 7.787,1026 1.453,1027 9.329,1028 4.963,1029 6.323,1030 7.606,1031 0.05,1032 11.063,1033 6.005,1034 9.175,1035 1.169,1036 11.09,1037 3.775,1038 6.878,1039 8.417,1041 13.033,1042 6.445,1043 10.595,1044 1.058,1045 12.898,1046 2.92,1047 8.306,1048 10.227,1049 0.008,1050 15.679,1051 7.832,1052 12.04,1053 1,1054 14.739,1055 2.73,1056 9.21,1057 11.399,1059 17.982,1060 8.629,1061 13.505,1062 0.424,1063 16.607,1064 2.136,1065 10.473,1066 13.031,1067 0.001,1068 20.518,1069 9.836,1070 3.397,1071 0.131,1072 18.496,1073 1.031,1074 11.537,1075 14.38,1077 22.95,1078 10.8,1079 3.087,1080 12.526,1081 20.402,1082 0.332,1083 12.745,1084 15.94,1086 25.461,1087 11.938,1088 2.818,1089 10.384,1090 22.321,1091 4.707,1092 13.88,1093 17.378,1095 27.942,1096 12.978,1097 2.603,1098 8.762,1099 24.251,1100 4.143,1101 15.073,1102 18.912,1104 30.451,1105 14.092,1106 2.252,1107 7.533,1108 26.191,1109 3.869,1110 16.242,1111 20.396,1113 32.954,1114 15.167,1115 2.102,1116 6.618,1117 28.138,1118 3.616,1119 17.435,1120 21.924,1122 35.467,1123 16.274,1124 2.014,1125 5.818,1126 30.091,1127 3.055,1128 18.621,1129 23.431,1131 37.98,1132 17.367,1133 14263,1134 28248,1135 23.463,1136 35.369,1137 54.622,1138 55.993,1139 55.87,1140 54.415,1141 54.278,1142 74.786,1143 0.8,1144 160.169,1145 49.61,1146 5.699,1147 6.686,1148 7.113,1149 5.415,1150 5.397,1151 7.707,1152 0.8,1153 19.912,1154 5.035,1155 18.634,1156 1.517,1157 1.555,1158 1.552,1159 1.512,1160 1.508,1161 2.077,1162 0.022,1163 4.449,1164 1.378,1165 4.084,1166 4.081,1167 4.737,1168 4.048,1169 7.717,1170 3.964,1171 3.966,1172 3.995,1173 4.046,1174 3.849,1175 6.999,1176 3.856,1177 3.826,1178 3.869,1179 3.95,1180 3.713,1181 5.262,1182 3.721,1183 3.699,1184 3.752,1185 3.76,1186 3.505,1187 5.057,1188 3.536,1189 3.555,1190 3.549,1191 3.642,1192 3.438,1193 4.981,1194 3.38,1195 3.172,1196 3.278,1197 3.439,1198 2.978,1199 4.869,1200 2.971,1201 3.088,1202 3.134,1203 3.212,1204 2.907,1205 4.7,1206 2.913,1207 2.947,1208 3.033,1209 2.99,1210 2.752,1211 4.495,1212 2.763,1213 0.135,1214 0.13,1215 0.203,1216 0.12,1217 0.094,1218 4.858,1219 0.131,1220 4.686,1221 0.011,1222 7.311,1223 0.348,1224 4.315,1225 0.086,1226 3.397,1227 4.707,1228 0.4,1229 12.526,1230 3.09,1231 1.935,1232 1.94,1233 1.947,1234 2.061,1235 1.104,1236 2.066,1237 1.882,1238 1.854,1239 1.915,1240 2.014,1241 1.018,1242 2.01,1243 1.769,1244 1.736,1245 1.839,1246 1.919,1247 0.909,1248 1.903,1249 1.608,1250 1.551,1251 1.735,1252 1.806,1253 0.763,1254 1.792,1255 1.377,1256 1.396,1257 1.431,1258 1.558,1259 0.509,1260 1.589,1261 1.146,1262 1.055,1263 1.23,1264 1.442,1265 0.31,1266 1.46,1267 0.985,1268 0.942,1269 1.118,1270 1.196,1271 0.175,1272 1.192,1273 0.865,1274 0.799,1275 1.081,1276 1.156,1277 0.036,1278 1.143,1279 4.29,1281 5.638,1283 7.172,1285 8.791,1287 10.453,1289 1.677,1290 12.242,1293 5.75,1296 5.457,1305 34.571,1306 96.235,1307 193.814,1308 243.323,1309 259.323,1310 259.323,1311 259.323,1312 69.553,1313 7.854,1314 161.56,1315 169.94,1316 24,1317 12.726,1318 4.755,1319 3.907,1320 54.221,1321 144,1322 140,1323 0.183,1324 225.26,1325 378.05,1326 541.395,1327 30361,1328 4.2,1329 23.587,1330 0.715,1331 0.581,1332 24.837,1333 19.188,1334 15.708,1335 0.436,1336 0.318,1337 9.232,1338 13.694,1339 8.845,1340 7.331,1341 17.107,1342 11.445,1343 15.199,1344 0.292,1345 0.174,1346 17.279,1347 9.073,1348 11.737,1349 0.181,1350 0.092,1351 13.47,1352 6.009,1353 9.882,1354 0.116,1355 0.049,1356 11.398,1357 4.152,1358 8.179,1359 0.075,1360 0.027,1361 9.89,1362 2.902,1363 0.287,1364 113.523,1365 0.206,1366 30.498,1367 0.503,1368 176,1369 620.587,1370 265.001,1371 685.655,1372 909.92,1373 630,1374 205,1375 603.42,1376 292.67,1377 666.36,1378 968.67,1379 622,1380 7.886}
{0 CHEMBL2216870,1 1.68,2 9,3 3.592,4 12.902,5 114.427,6 8.479,7 0.629,8 4.033,9 4.152,10 3.712,11 3.576,12 5.244,13 3.593,14 4.535,15 4.693,16 4.099,17 3.961,18 5.741,19 3.965,20 4.78,21 4.981,22 4.218,23 4.064,24 5.975,25 4.069,26 4.82,27 5.01,28 4.267,29 4.076,30 6.21,31 4.09,32 4.879,33 5.068,34 4.204,35 4.172,36 6.089,37 4.154,38 4.952,39 5.136,40 4.246,41 4.269,42 6.133,43 4.228,44 5.057,45 5.274,46 4.215,47 4.282,48 6.244,49 4.215,50 4.994,51 5.248,52 4.024,53 4.143,54 6.122,55 4.06,56 0.098,57 0.881,58 7.527,59 3.768,60 9.11,61 4.402,62 0.327,63 1.401,64 14.608,65 6.377,66 23.633,67 7.781,68 0.474,69 1.698,70 22.481,71 8.186,72 45.534,73 10.257,74 0.769,75 1.771,76 23.054,77 7.741,78 85.192,79 9.415,80 0.64,81 1.759,82 24.438,83 8.758,84 70.216,85 10.227,86 0.523,87 1.912,88 25.371,89 10.432,90 65.586,91 12.539,92 0.766,93 2.129,94 31.569,95 12.11,96 85.597,97 15.159,98 0.691,99 1.906,100 33.647,101 11.8,102 81.577,103 15.494,104 11,105 50,106 0.278,107 0.661,108 0.791,109 0.859,110 0.879,111 0.879,112 3.473,113 0.844,114 -5.72,115 -5.59,116 -5.21,119 44.9,120 1,121 1,127 1,142 8,143 1,144 3,146 1,147 1,148 1,158 2,160 1,161 1,172 7,174 3,175 6,178 3,180 1,183 7,186 2,187 5,190 3,192 1,195 3,198 1,199 13,202 2,203 1,207 2,211 2,212 9,215 1,217 4,220 6,223 2,224 5,229 4,232 12,236 3,237 5,240 2,242 3,245 11,249 1,250 7,258 6,262 1,263 9,266 1,268 4,271 1,275 1620,276 21.491,277 21.491,278 21.491,279 21.491,280 21.491,281 18.578,282 21.767,283 12.597,284 21.976,285 17.226,286 17.226,287 17.226,288 17.226,289 17.226,290 12.869,291 33.074,292 5.85,293 18.057,294 3.935,295 1.622,296 0.832,297 0.424,298 0.301,299 0.301,300 4.182,304 1,305 1,306 619,307 3.162,310 61.87,311 307.491,314 115.333,315 131.768,318 1.226,319 39.422,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 68,331 279,332 4.626,333 3.897,334 7.058,335 4.301,336 3.341,337 4.458,338 1.548,339 12.115,340 3.207,341 4.511,342 3.296,343 6.537,344 4.003,345 3.057,346 4.221,347 1.066,348 10.3,349 2.888,350 4.138,351 3.067,352 6.459,353 3.788,354 2.828,355 3.617,356 0.478,357 9.924,358 2.707,359 3.827,360 2.987,361 5.871,362 3.489,363 2.526,364 3.184,365 0.224,366 8.08,367 2.433,368 3.487,369 2.587,370 5.217,371 3.021,372 2.082,373 2.862,375 6.277,376 2.003,377 3.434,378 2.404,379 5.098,380 2.99,381 2.006,382 2.706,384 5.792,385 1.91,386 3.224,387 2.134,388 4.958,389 2.831,390 1.894,391 2.432,393 5.349,394 1.761,395 3.048,396 1.76,397 4.485,398 2.516,399 1.548,400 2.321,402 4.015,403 1.504,404 2.925,405 1.548,406 4.101,407 2.451,408 1.529,409 2.083,411 3.629,412 1.398,413 2.663,414 1.451,415 3.811,416 2.192,417 1.23,418 1.688,420 2.959,421 1.182,422 2.607,423 1.335,424 3.601,425 2.159,426 1.165,427 1.573,428 2.677,429 1.147,430 2.5,431 1,432 3.412,433 2,434 1,435 1.5,436 2.233,437 1,438 2.5,439 1,440 3.25,441 1.917,442 1,443 1.5,445 2.136,446 0.915,447 2.073,448 0.908,449 3.247,450 1.612,451 0.694,452 0.916,454 1.653,455 0.636,456 1.594,457 0.77,458 3.102,459 1.23,460 0.275,461 0.307,463 0.458,464 0.261,465 14.419,466 0.465,467 0.675,468 0.022,469 46.25,470 1.492,471 24.5,472 0.79,473 21.75,474 0.702,475 23.59,476 0.761,477 31.781,478 0.649,479 36.714,480 1.184,481 9.038,482 0.292,483 6.131,484 0.198,485 0.078,487 0.375,491 1,493 0.712,494 1.246,495 0.654,496 1.018,497 0.551,498 0.857,499 0.642,500 1.038,501 0.745,502 0.994,503 0.598,504 0.914,505 0.937,506 1.061,507 0.774,508 0.929,509 0.872,510 0.832,511 1.016,512 0.979,513 0.907,514 0.914,515 0.934,516 0.878,517 1.221,518 0.861,519 1.122,520 0.901,521 1.233,522 0.962,523 1.005,524 1.025,525 1.099,526 1.139,527 1.054,528 1.15,529 0.994,530 0.997,531 1.147,532 1.128,533 1.092,534 1.176,535 1.051,536 0.995,537 1.053,538 0.998,539 1.043,540 1.021,541 4.5,542 0.098,543 3.556,544 2.625,545 2.333,546 1.316,547 0.815,548 0.622,549 0.379,550 0.208,551 11828,552 35112,553 2.16,554 36.7,555 3,556 9,558 2,559 2,561 2,564 1.747,565 2.044,566 3.168,567 0.257,569 1,573 82.303,574 1.68,575 3.993,576 4.783,577 5.191,578 5.314,579 5.314,580 2.489,581 4.607,582 4.929,583 3.346,584 1556.03,585 8.664,586 21252.6,588 1,590 1,591 275.121,592 1.332,593 4.896,594 0.129,595 0.005,596 0.071,597 0.048,598 0.042,599 0.024,600 0.015,601 0.012,602 0.009,603 0.006,604 0.36,605 0.17,606 0.75,607 0.646,608 156.432,609 -0.078,610 -0.215,611 0.043,612 -0.07,613 -0.05,614 -0.001,615 0.106,616 -0.029,617 0.055,618 -0.058,619 0.013,620 -0.031,621 0.007,622 -0.065,623 0.163,624 0.018,625 0.001,626 0.104,627 0.136,628 0.075,629 0.033,630 0.003,631 0.213,632 0.003,633 -0.204,634 0.083,635 -0.204,636 0.04,637 -0.148,638 -0.049,639 -0.134,640 -0.113,641 -0.203,642 -0.157,643 -0.111,644 -0.193,645 -0.013,646 -0.014,647 -0.159,648 -0.123,649 -0.074,650 -0.172,651 -0.063,652 -0.026,653 0.028,654 0.037,655 -0.039,656 0.056,657 2.263,658 6.546,659 0.806,660 24.895,661 1.017,662 1.133,663 4.494,664 20.197,665 0.694,666 3.584,667 3.932,668 4.29,669 4.625,670 4.868,671 5.004,672 5.17,673 5.313,674 5.38,675 5.438,676 5.909,677 0.682,678 415.47,679 3.584,680 5.142,681 6.028,682 6.934,683 7.838,684 8.753,685 9.663,686 10.582,687 11.495,688 12.415,689 14.3,694 1,696 1,697 1,698 1,699 3,703 2,704 10,705 3,706 1,709 5,711 22,719 1,724 1,730 1,731 49,733 24,734 2,735 35,737 53,738 22,739 17,740 4,741 8,742 2,746 5,747 7,752 1,758 2,761 19,762 3,766 2,771 1,774 1,775 2,778 1,779 1,781 18,782 8,783 2,784 9,787 1,790 7,791 1,794 0.6,795 1,806 1,811 1,812 4,815 1,816 1,840 3,844 1,846 1,848 31,854 1,855 1,858 1,859 1,869 1,870 2,873 1,877 15.167,878 9.226,879 6.833,880 3.032,881 4.4,882 1.544,883 1.036,884 4.929,885 12.487,886 3.892,887 4.525,888 5.174,889 5.802,890 6.3,891 6.587,892 6.991,893 7.399,894 7.621,895 7.956,896 0.833,897 55,898 11.513,900 5.108,901 7.882,902 21.445,904 17.792,905 2.382,906 73.833,908 1,909 1,910 188.338,911 135.447,912 105.063,914 25.145,915 14.96,917 135.447,918 213.483,919 120.023,920 8.825,921 5.659,922 75.81,923 134.421,924 62.154,925 17.288,926 164.795,928 188.338,929 240.51,930 40.105,933 179.756,934 48.687,937 69.152,938 102.991,939 68.367,941 203.298,942 130.208,943 135.447,946 188.338,947 33.575,948 104.997,949 34.796,950 107.247,951 188.338,952 145.168,953 135.447,955 0.58,956 0.362,957 0.214,958 0.115,959 26,960 11,961 0.094,962 5,963 2,964 1.16,965 4.058,966 307.49,967 0.16,968 25,969 149.58,974 19.347,975 7.897,976 3.352,977 1.183,978 128.382,979 16.525,980 12.747,981 2.953,984 0.794,986 34.796,987 468.952,988 48,993 13.427,996 4.697,997 -0.003,999 49.854,1000 55.528,1001 0.299,1002 0.711,1003 0.852,1004 0.925,1005 0.946,1006 0.946,1007 5.133,1008 1.548,1009 6.019,1010 5.349,1011 4.615,1012 5.212,1013 2.073,1014 6.893,1015 4.522,1016 6.351,1017 1.529,1018 7.611,1019 4.015,1020 4.205,1021 4.977,1022 1.048,1023 7.923,1024 4.064,1025 7.671,1026 1.23,1027 9.311,1028 3.629,1029 6.256,1030 7.449,1031 2.436,1032 11.095,1033 6.072,1034 9.03,1035 1.165,1036 11.075,1037 2.959,1038 6.723,1039 8.094,1040 2.041,1041 12.979,1042 6.491,1043 10.424,1044 1,1045 12.88,1046 2.677,1047 8.215,1048 9.995,1049 3.001,1050 15.667,1051 7.943,1052 11.843,1053 1,1054 14.714,1055 2.233,1056 9.077,1057 11.063,1058 2.976,1059 17.887,1060 8.756,1061 13.283,1062 0.694,1063 16.568,1064 2.136,1065 10.36,1066 12.724,1067 3.695,1068 20.42,1069 9.999,1070 3.341,1071 0.275,1072 18.437,1073 1.653,1074 11.398,1075 14.001,1076 3.884,1077 22.779,1078 10.991,1079 3.057,1080 12.115,1081 20.318,1082 0.458,1083 12.605,1084 15.556,1085 4.471,1086 25.263,1087 12.158,1088 2.828,1089 10.3,1090 22.207,1091 4.458,1092 13.721,1093 16.934,1094 4.778,1095 27.684,1096 13.229,1097 2.526,1098 9.924,1099 24.104,1100 4.221,1101 14.904,1102 18.444,1103 5.293,1104 30.157,1105 14.371,1106 2.082,1107 8.08,1108 26.006,1109 3.617,1110 16.055,1111 19.872,1112 5.663,1113 32.607,1114 15.479,1115 2.006,1116 6.277,1117 27.914,1118 3.184,1119 17.233,1120 21.362,1121 6.141,1122 35.08,1123 16.617,1124 1.894,1125 5.792,1126 29.825,1127 2.862,1128 18.401,1129 22.815,1130 6.543,1131 37.546,1132 17.744,1133 10990,1134 19114,1135 23.868,1136 34,1137 53.243,1138 54.236,1139 54.776,1140 52.557,1141 52.474,1142 70.906,1143 6.631,1144 155.518,1145 50.021,1146 5.558,1147 5.897,1148 6.86,1149 5.386,1150 5.341,1151 7.458,1152 2.675,1153 19.775,1154 5.207,1155 12.094,1156 1.521,1157 1.55,1158 1.565,1159 1.502,1160 1.499,1161 2.026,1162 0.189,1163 4.443,1164 1.429,1165 4.087,1166 4.14,1167 4.06,1168 3.942,1169 8.201,1170 3.961,1171 4.01,1172 4.047,1173 3.986,1174 3.85,1175 7.427,1176 3.883,1177 3.846,1178 3.876,1179 3.783,1180 3.786,1181 5.192,1182 3.781,1183 3.655,1184 3.72,1185 3.549,1186 3.509,1187 4.827,1188 3.508,1189 3.34,1190 3.396,1191 3.266,1192 3.147,1193 4.695,1194 3.165,1195 3.3,1196 3.387,1197 3.198,1198 3.028,1199 4.573,1200 3.065,1201 3.09,1202 3.152,1203 2.999,1204 2.875,1205 4.357,1206 2.895,1207 2.953,1208 3.023,1209 2.865,1210 2.735,1211 4.12,1212 2.74,1213 0.132,1214 0.111,1215 0.202,1216 0.123,1217 0.095,1218 4.626,1219 0.127,1220 3.897,1221 0.044,1222 7.058,1223 0.346,1224 4.301,1225 0.092,1226 3.341,1227 4.458,1228 1.548,1229 12.115,1230 3.207,1231 1.966,1232 1.94,1233 2.046,1234 2.097,1235 1.223,1236 2.079,1237 1.849,1238 1.821,1239 1.963,1240 1.994,1241 1.085,1242 1.964,1243 1.798,1244 1.75,1245 1.909,1246 1.932,1247 1.034,1248 1.942,1249 1.618,1250 1.558,1251 1.791,1252 1.805,1253 0.841,1254 1.819,1255 1.346,1256 1.259,1257 1.519,1258 1.65,1259 0.573,1260 1.62,1261 1.277,1262 1.225,1263 1.445,1264 1.501,1265 0.405,1266 1.491,1267 1.013,1268 0.959,1269 1.231,1270 1.28,1271 0.314,1272 1.267,1273 0.886,1274 0.821,1275 1.181,1276 1.1,1277 0.218,1278 1.107,1279 4.263,1281 5.602,1282 2.398,1283 7.157,1284 4.595,1285 8.815,1286 6.605,1287 10.528,1289 1.97,1291 14.546,1295 0.593,1296 3.341,1299 -0.393,1300 1.454,1305 33.409,1306 82.303,1307 195.637,1308 234.366,1309 254.366,1310 260.366,1311 260.366,1312 57.831,1313 8.087,1314 101.38,1315 101.38,1316 29,1317 12.925,1318 4.644,1319 3.807,1320 43.154,1321 106,1322 99,1323 0.192,1324 202.461,1325 343.94,1326 485.764,1327 37639,1328 2,1329 21.372,1330 0.689,1331 0.535,1332 20.501,1333 16.58,1334 15.169,1335 0.433,1336 0.281,1337 9.682,1338 14.525,1339 9.527,1340 7.893,1341 14.758,1342 9.843,1343 13.43,1344 0.269,1345 0.14,1346 12.892,1347 7.007,1348 12.122,1349 0.168,1350 0.071,1351 11.722,1352 5.135,1353 10.958,1354 0.108,1355 0.036,1356 10.434,1357 3.652,1358 8.706,1359 0.067,1360 0.019,1361 8.552,1362 2.467,1363 0.29,1364 95.591,1365 0.205,1366 28.25,1367 0.568,1368 170,1369 562.738,1370 190.394,1371 522.828,1372 722.32,1373 490,1374 207,1375 546.35,1376 228.971,1377 544.567,1378 809.79,1379 515,1380 6.086}
{0 CHEMBL2216899,1 2.099,2 7.947,3 3.745,4 14.023,5 63.06,6 11.885,7 0.286,8 3.408,9 3.439,10 3.376,11 2.979,12 4.781,13 3.031,14 3.946,15 3.971,16 3.942,17 3.34,18 5.861,19 3.4,20 3.938,21 4.011,22 3.645,23 3.281,24 5.455,25 3.322,26 3.841,27 3.953,28 3.461,29 3.118,30 5.474,31 3.141,32 3.773,33 3.899,34 3.385,35 2.999,36 5.343,37 3.031,38 3.585,39 3.678,40 3.267,41 2.782,42 5.185,43 2.853,44 3.456,45 3.547,46 3.199,47 2.473,48 5.162,49 2.621,50 3.117,51 3.133,52 3.186,53 1.98,54 5.071,55 2.303,56 0.346,57 0.479,58 0.271,59 2.258,60 44.017,61 1.29,62 0.935,63 0.853,64 2.425,65 3.946,66 90.244,67 2.259,68 0.73,69 0.74,70 5.867,71 4.634,72 98.39,73 3.117,74 0.746,75 0.666,76 4.172,77 3.908,78 94.404,79 3.086,80 0.774,81 0.725,82 8.718,83 4.252,84 109.274,85 2.909,86 0.56,87 0.507,88 4.534,89 3.061,90 77.366,91 1.595,92 0.581,93 0.412,94 4.635,95 2.533,96 85.335,97 1.416,98 0.389,99 0.406,100 3.762,101 1.909,102 54.623,103 0.68,104 17,105 32,106 0.42,107 0.744,108 0.827,109 0.884,110 0.9,111 0.9,112 3.011,113 0.842,114 -2.67,115 -2.69,116 -2.62,119 45.8,133 1,135 1,138 1,142 3,143 1,144 2,158 1,159 1,172 4,174 1,175 3,178 2,180 1,183 5,187 6,192 1,195 3,198 1,199 5,204 1,207 2,212 4,217 2,220 1,224 4,229 1,236 1,237 2,240 1,249 2,253 1,262 1,275 384,276 12.204,277 12.204,278 12.204,279 12.204,280 12.204,281 11.026,282 12.248,283 6.888,284 12.661,285 10.398,286 10.398,287 10.398,288 10.398,289 10.398,290 8.447,291 11.948,292 3.34,293 11.221,294 2.486,295 0.865,296 0.448,297 0.167,298 0.083,299 0.083,300 3.68,304 1,305 1,306 325,307 2.646,310 90.07,311 45.076,314 71.27,318 1.224,319 38.921,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 45.5,331 151,332 4.477,333 4.802,334 6.862,335 4.225,336 3.334,337 4.005,338 4.337,339 11.511,340 2.973,341 4.258,342 4.389,343 6.155,344 3.885,345 2.944,346 3.598,347 3.578,348 9.122,349 2.751,350 3.916,351 3.599,352 5.949,353 3.583,354 2.639,355 3.129,356 1.058,357 8.44,358 2.464,359 3.501,360 3.116,361 5.229,362 3.11,363 2.154,364 2.722,365 0.532,366 6.551,367 2.032,368 3.274,369 2.987,370 4.752,371 2.813,372 1.825,373 2.419,374 0.508,375 5.078,376 1.752,377 2.877,378 2.261,379 4.524,380 2.463,381 1.523,382 2.012,383 0.219,384 4.381,385 1.423,386 2.755,387 1.973,388 4.126,389 2.192,390 1.265,391 1.677,393 3.507,394 1.138,395 1.701,396 1.525,397 3.45,398 1.416,399 0.489,400 0.572,402 1.295,403 0.448,404 1.204,405 0.847,406 2.982,407 0.846,408 -0.076,409 -0.091,411 -0.227,412 -0.068,413 1,414 0.792,415 2.737,416 0.508,417 -0.46,418 -0.536,420 -1.291,421 -0.398,422 0.822,423 0.51,424 2.32,425 0.4,426 -0.595,427 -0.84,428 -1.475,429 -0.615,430 0.524,431 0.442,432 2.224,433 0.178,434 -0.796,435 -1,436 -2.233,437 -0.7,438 0.329,439 0.233,440 2,441 -0.034,442 -1,443 -1.035,445 -3,446 -0.764,447 0.265,448 -0.406,449 2,450 -0.144,451 -1,452 -1.3,454 -3.23,455 -0.969,457 -0.631,458 1.778,459 -0.3,460 -1.164,461 -1.493,463 -3.304,464 -1.14,465 8.638,466 0.455,467 0.745,468 0.039,469 24.5,470 1.289,471 11.5,472 0.605,473 13,474 0.684,475 12.306,476 0.648,477 20.762,478 0.865,479 17.557,480 0.924,481 4.98,482 0.262,483 3.947,484 0.208,485 0.143,486 0.058,487 0.347,492 2,493 0.751,494 0.821,495 0.626,496 0.826,497 0.638,498 0.71,499 0.314,500 0.597,501 0.637,502 0.839,503 0.446,504 0.841,505 0.901,506 0.933,507 1.148,508 1.236,509 0.86,510 1.289,511 0.84,512 0.867,513 0.862,514 0.869,515 0.634,516 1.159,517 1.332,518 1.171,519 1.514,520 1.07,521 1.257,522 1.083,523 1.258,524 0.993,525 1.377,526 1.172,527 1.184,528 1.218,529 1.39,530 0.954,531 1.059,532 0.896,533 1.517,534 0.829,535 1.422,536 1.801,537 0.653,538 1.464,539 1.742,540 0.721,541 6.5,543 2.222,544 2.368,545 0.808,546 0.629,547 0.319,548 0.296,549 0.224,550 0.114,551 3261,552 16655,553 2.038,554 20.8,556 4,559 1,564 1.6,565 1.854,566 3.004,567 -0.094,571 1,573 50.376,574 2.099,575 3.72,576 4.137,577 4.418,578 4.502,579 4.502,580 2.465,581 3.722,582 4.223,583 3.127,584 534.731,585 7.176,586 5195.73,588 1,590 1,591 110.039,592 1.747,593 4.142,594 0.31,596 0.069,597 0.091,598 0.038,599 0.033,600 0.02,601 0.021,602 0.019,603 0.014,604 0.616,605 0.67,606 1,607 0.697,608 82.015,609 -0.117,610 -0.037,611 -0.014,612 0.018,613 -0.102,614 0.038,615 0.576,616 0.356,617 0.157,618 0.109,619 0.304,620 -0.073,621 -0.135,622 -0.194,623 -0.192,624 -0.285,625 -0.123,626 -0.259,627 -0.038,628 -0.139,629 0.082,630 -0.006,631 0.105,632 -0.022,633 -0.346,634 -0.083,635 -0.29,636 0.02,637 -0.249,638 0.094,639 -0.378,640 -0.125,641 -0.322,642 -0.185,643 -0.262,644 -0.21,645 -0.32,646 -0.064,647 0.03,648 0.071,649 -0.379,650 0.198,651 -0.095,652 -0.658,653 0.462,654 -0.385,655 -0.349,656 0.039,657 4.927,658 4.814,659 0.737,660 12.033,661 1.09,662 1.133,663 1.445,664 2.088,665 0.735,666 3.091,667 3.497,668 3.689,669 4.007,670 4.127,671 4.078,672 4.248,673 4.394,674 4.357,675 4.369,676 4.88,677 0.767,678 285.24,679 3.091,680 4.673,681 5.517,682 6.435,683 7.298,684 8.21,685 9.083,686 9.991,687 10.87,688 11.775,689 4.2,696 1,704 3,709 3,711 6,729 2,731 24,733 9,734 1,735 21,737 26,738 11,739 6,740 3,741 3,742 3,746 3,747 4,761 10,762 1,764 2,766 3,771 2,773 1,775 3,778 1,779 2,781 5,782 7,783 1,784 8,785 1,790 1,792 1,794 0.667,795 4,811 2,812 1,815 1,831 2,837 1,840 2,842 1,846 2,848 19,855 1,856 2,857 1,860 1,869 2,870 16.7,873 2,875 2,877 10.25,878 4.452,879 3.889,880 1.266,881 1.95,882 1.294,883 1.003,884 2.763,885 8.578,886 3.332,887 3.922,888 4.373,889 4.934,890 5.409,891 5.631,892 6.042,893 6.426,894 6.563,895 6.67,896 1,897 26,898 7.21,900 3.461,901 8.689,902 12.274,904 10.113,905 3.189,906 60.583,910 47.084,911 99.062,912 18.011,914 72.29,915 29.92,916 32.22,917 66.842,918 119.374,919 47.931,921 18.011,922 37.905,923 56.545,924 65.592,925 3.07,926 79.304,927 5.94,928 47.084,929 84.853,930 102.21,931 32.22,933 47.084,934 72.29,935 29.92,936 5.94,937 18.011,938 49.876,939 11.027,940 32.22,941 77.005,942 90.3,943 99.062,946 53.024,947 55.217,948 37.905,949 18.011,950 102.21,951 47.084,952 120.221,953 99.062,955 0.609,956 0.33,957 0.181,958 0.096,959 18,960 8,961 0.038,962 1,963 1,964 1.143,965 3.115,966 142.636,967 0.143,968 14,969 78.711,970 1,974 12.449,975 4.217,976 2.437,978 120.221,979 4.092,984 0.258,986 18.011,987 266.367,988 27,993 22.302,995 1.408,997 -0.794,999 26.164,1000 27.181,1001 0.458,1002 0.811,1003 0.902,1004 0.964,1005 0.982,1006 0.982,1007 4.63,1008 0.489,1009 5.587,1010 3.507,1011 4.174,1012 4.605,1013 4.069,1014 6.457,1015 4.026,1016 5.878,1017 -0.076,1018 7.189,1019 1.295,1020 4.111,1021 4.62,1022 4.006,1023 7.636,1024 3.831,1025 7.224,1026 -0.46,1027 8.89,1028 -0.227,1029 5.9,1030 6.741,1031 6.673,1032 10.607,1033 5.581,1034 8.593,1035 -0.595,1036 10.646,1037 -1.291,1038 6.553,1039 7.428,1040 6.985,1041 12.539,1042 6.076,1043 9.986,1044 -0.796,1045 12.437,1046 -1.475,1047 7.929,1048 9.14,1049 9.463,1050 15.111,1051 7.408,1052 11.396,1053 -1,1054 14.251,1055 -2.233,1056 8.883,1057 10.139,1058 9.904,1059 17.341,1060 8.206,1061 12.818,1062 -1,1063 16.083,1064 -3,1065 10.119,1066 11.68,1067 12.29,1068 19.799,1069 9.375,1070 3.334,1071 -1.164,1072 17.929,1073 -3.23,1074 11.202,1075 12.842,1076 12.843,1077 22.149,1078 10.313,1079 2.944,1080 11.511,1081 19.785,1082 -3.304,1083 12.393,1084 14.302,1085 15.136,1086 24.578,1087 11.417,1088 2.639,1089 9.122,1090 21.651,1091 4.005,1092 13.531,1093 15.554,1094 15.8,1095 26.978,1096 12.421,1097 2.154,1098 8.44,1099 23.525,1100 3.598,1101 14.712,1102 16.972,1103 17.996,1104 29.405,1105 13.5,1106 1.825,1107 6.551,1108 25.405,1109 3.129,1110 15.875,1111 18.275,1112 18.766,1113 31.826,1114 14.537,1115 1.523,1116 5.078,1117 27.29,1118 2.722,1119 17.056,1120 19.673,1121 20.869,1122 34.257,1123 15.608,1124 1.265,1125 4.381,1126 29.18,1127 2.419,1128 18.233,1129 21.006,1130 21.735,1131 36.688,1132 16.661,1133 3204,1134 7366,1135 13.523,1136 17.631,1137 32.946,1138 35.621,1139 33.332,1140 32.442,1141 32.346,1142 40.267,1143 20.464,1144 99.772,1145 29.962,1146 5.297,1147 6.802,1148 6.142,1149 5.319,1150 5.334,1151 7.005,1152 8.335,1153 18.094,1154 4.973,1155 10.46,1156 1.569,1157 1.696,1158 1.587,1159 1.545,1160 1.54,1161 1.917,1162 0.974,1163 4.751,1164 1.427,1165 3.987,1166 3.992,1167 4.08,1168 3.904,1169 8.363,1170 3.904,1171 3.735,1172 3.736,1173 3.889,1174 3.618,1175 7.999,1176 3.597,1177 3.38,1178 3.392,1179 3.389,1180 3.066,1181 7.449,1182 3.131,1183 3.026,1184 3.056,1185 3.031,1186 2.812,1187 7.409,1188 2.839,1189 2.838,1190 2.858,1191 2.906,1192 2.631,1193 4.915,1194 2.657,1195 2.742,1196 2.734,1197 2.697,1198 2.485,1199 4.355,1200 2.521,1201 2.43,1202 2.474,1203 2.531,1204 2.256,1205 4.03,1206 2.251,1207 1.914,1208 2.023,1209 1.997,1210 1.62,1211 3.94,1212 1.51,1213 0.213,1214 0.229,1215 0.327,1216 0.201,1217 0.159,1218 4.477,1219 0.191,1220 4.802,1221 0.207,1222 6.862,1223 0.548,1224 4.225,1225 0.142,1226 3.334,1227 4.005,1228 4.337,1229 11.511,1230 2.973,1231 1.89,1232 1.876,1233 1.97,1234 1.963,1235 1.101,1236 1.967,1237 1.431,1238 1.428,1239 1.494,1240 1.649,1241 0.614,1242 1.592,1243 1.215,1244 1.211,1245 1.238,1246 1.536,1247 0.186,1248 1.42,1249 1.063,1250 1.07,1251 1.144,1252 1.406,1253 0.166,1254 1.374,1255 0.773,1256 0.762,1257 0.91,1258 0.991,1260 1.003,1261 0.729,1262 0.699,1263 0.785,1264 0.954,1266 0.913,1267 0.262,1268 0.223,1269 0.528,1270 0.595,1272 0.587,1275 0.23,1276 0.277,1278 0.249,1279 3.761,1281 5.142,1282 3.045,1283 6.676,1284 5.476,1285 8.281,1286 7.591,1287 9.926,1291 25.628,1296 2.093,1297 8.531,1298 0.743,1301 -3.677,1305 18.415,1306 50.376,1307 89.284,1308 99.284,1309 106.039,1310 108.039,1311 108.039,1312 40.424,1313 6.628,1314 68.39,1315 96.63,1316 16,1317 12.298,1318 3.322,1319 2.807,1320 27.926,1321 56,1322 48,1323 0.254,1324 112.848,1325 211.85,1326 267.11,1327 5656,1328 8.3,1329 13.621,1330 0.717,1331 0.522,1332 12.182,1333 9.923,1334 8.927,1335 0.425,1336 0.281,1337 4.997,1338 7.865,1339 4.915,1340 3.989,1341 8.629,1342 5.893,1343 9.321,1344 0.291,1345 0.148,1346 8.408,1347 4.741,1348 6.798,1349 0.174,1350 0.081,1351 7.039,1352 3.176,1353 6.089,1354 0.113,1355 0.043,1356 6.211,1357 2.31,1358 4.591,1359 0.075,1360 0.022,1361 4.377,1362 1.33,1363 0.39,1364 62.234,1365 0.272,1366 18.841,1367 0.713,1368 106,1369 550.358,1370 161.95,1371 479.375,1372 621.82,1373 442,1374 124,1375 422.481,1376 166.095,1377 420.505,1378 642.5,1379 393,1380 5.347}
{0 CHEMBL221959,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,119 37.2,120 1,121 2,122 1,124 1,125 2,127 1,142 1,143 1,147 1,148 1,151 1,158 2,161 1,172 3,174 3,175 8,178 1,180 2,183 1,186 1,187 6,198 3,199 3,202 2,207 2,211 2,212 5,220 4,224 4,229 1,232 3,236 3,237 5,240 1,242 2,245 1,250 2,258 1,262 2,263 2,266 1,268 1,275 709,276 15.56,277 15.56,278 15.56,279 15.56,280 15.56,281 14.091,282 16.291,283 9.16,284 15.944,285 12.26,286 12.26,287 12.26,288 12.26,289 12.26,290 9.988,291 21.804,292 4.2,293 12.86,294 3.859,295 1.738,296 0.5,297 0.407,298 0.407,299 0.407,300 3.866,303 1,304 1,305 1,306 426,307 3.317,310 47.145,311 133.048,314 88.881,318 1.361,319 22.725,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 200,332 4.557,333 4.093,334 6.803,335 4.155,336 3.205,337 4.474,338 2.65,339 11.145,340 3.046,341 4.076,342 3.667,343 6.327,344 3.883,345 2.919,346 3.218,347 1.749,348 9.527,349 2.813,350 3.838,351 3.345,352 5.963,353 3.58,354 2.613,355 3.056,356 0.8,357 8.302,358 2.528,359 3.477,360 2.888,361 5.451,362 3.125,363 2.176,364 2.619,365 0.547,366 6.657,367 2.054,368 3.365,369 2.381,370 4.576,371 2.508,372 1.554,373 2.321,375 4.315,376 1.481,377 3.048,378 2.038,379 4.211,380 2.485,381 1.543,382 1.92,384 3.807,385 1.46,386 2.703,387 1.614,388 4.104,389 2.479,390 1.52,391 1.708,393 3.61,394 1.437,395 2.521,396 1.547,397 3.659,398 1.947,399 1,400 1.5,402 2.362,403 0.945,404 2.5,405 1.512,406 3.396,407 1.868,408 0.917,409 1.283,411 2.222,412 0.869,413 2.103,414 1.046,415 3.069,416 1.839,417 0.848,418 1.031,420 1.399,421 0.831,422 1.723,423 1,424 2.957,425 1.323,426 0.392,427 0.523,428 0.97,429 0.364,430 1.18,431 0.458,432 2.508,433 0.849,434 -0.127,435 -0.135,436 -0.278,437 -0.123,438 0.963,439 0.157,440 2.291,441 0.419,442 -0.585,443 -0.785,445 -0.922,446 -0.552,447 0.772,448 -0.22,449 2.249,450 0.316,451 -0.614,452 -0.841,454 -1.49,455 -0.594,456 0.5,457 -0.501,458 1.95,459 0.112,460 -0.829,461 -1,463 -2.428,464 -0.78,465 10.733,466 0.467,467 0.559,468 0.024,469 29,470 1.261,471 13,472 0.565,473 16,474 0.696,475 19.759,476 0.859,477 25.267,478 0.588,479 19.773,480 0.86,481 5.462,482 0.237,483 5.651,484 0.246,485 0.161,487 0.354,493 0.785,494 1.683,495 0.793,496 1.281,497 0.477,498 1.069,499 0.81,500 1.013,501 0.86,502 0.91,503 0.488,504 0.885,505 1.057,506 1.244,507 1.01,508 1.144,509 0.839,510 1.079,511 1.012,512 0.926,513 1.059,514 1.027,515 0.787,516 1.054,517 0.811,518 0.904,519 0.977,520 0.993,521 0.721,522 1.012,523 0.939,524 0.99,525 1.011,526 1.021,527 0.943,528 1.02,529 1.186,530 0.907,531 1.136,532 1.024,533 1.404,534 1.08,535 0.98,536 0.917,537 0.952,538 0.928,539 0.899,540 0.923,541 4,542 0.041,543 3.333,544 1.75,545 1.217,546 0.903,547 0.469,548 0.359,549 0.131,550 0.091,551 5072,552 14465,553 2.041,554 46.5,555 3,556 9,557 1,558 1,559 1,560 2,561 3,564 1.662,565 1.89,566 3.116,567 -0.241,568 1,569 1,571 1,573 67.381,574 1.567,575 3.688,576 4.926,577 5.019,578 5.019,579 5.019,580 2.541,581 4.35,582 4.496,583 3.239,584 819.495,585 7.766,586 9094.07,588 1,591 233.329,592 1.478,593 4.443,594 0.16,595 0.007,596 0.095,597 0.047,598 0.035,599 0.029,600 0.016,601 0.015,602 0.008,603 0.008,604 0.42,605 0.5,606 1,607 1.226,608 105.892,609 -0.038,610 -0.402,611 0.063,612 -0.16,613 0.051,614 -0.052,615 0.09,616 0.131,617 0.072,618 0.099,619 0.039,620 0.086,621 -0.099,622 -0.183,623 -0.065,624 -0.131,625 -0.015,626 -0.098,627 0.006,628 0.061,629 -0.087,630 -0.041,631 0.074,632 -0.077,633 0.01,634 0.008,635 -0.006,636 0.009,637 -0.035,639 -0.091,640 -0.06,641 -0.036,642 -0.042,643 -0.079,644 -0.027,645 -0.041,646 0.02,647 -0.136,648 -0.062,649 -0.145,650 -0.115,651 -0.062,652 -0.056,653 0.059,654 0.002,655 0.016,656 0.052,657 1.757,658 5.035,659 0.652,660 16.253,661 1.003,662 1.142,663 1.775,664 3.15,665 0.647,666 3.258,667 3.584,668 3.892,669 4.143,670 4.317,671 4.382,672 4.454,673 4.5,674 4.431,675 4.443,676 5.258,677 0.617,678 312.42,679 3.258,680 4.796,681 5.659,682 6.544,683 7.427,684 8.318,685 9.208,686 10.101,687 10.994,688 11.889,689 14,695 1,696 1,697 1,698 1,699 2,703 2,704 3,705 2,706 1,709 1,711 10,726 1,731 43,733 12,735 25,737 45,738 16,739 6,746 3,747 4,752 1,755 2,756 1,758 3,760 1,761 7,762 8,763 1,766 1,771 1,775 1,777 1,778 1,781 20,782 6,783 1,784 7,790 6,794 0.667,795 1,806 1,807 1,811 1,812 2,815 1,822 1,827 1,840 2,844 2,848 23,854 4,858 2,859 2,861 1,866 1,868 1,870 2.3,873 1,877 12.167,878 8.333,879 5.167,880 2.635,881 2.176,882 1.315,883 0.951,884 4.495,885 9.091,886 3.526,887 4.047,888 4.606,889 5.172,890 5.559,891 5.842,892 6.175,893 6.484,894 6.31,895 6.53,896 0.833,897 37,898 8.495,900 3.583,901 7.819,902 16.252,904 13.401,905 2.319,906 53.333,910 223.651,911 81.567,912 87.665,914 25.145,917 81.567,918 248.796,919 87.665,920 17.222,921 12.405,922 18.524,923 93.509,924 62.161,925 14.099,926 200.109,928 223.651,929 169.231,930 25.145,933 188.338,934 60.458,937 79.409,938 56.252,939 33.571,941 223.651,942 112.809,943 81.567,946 223.651,947 20.601,948 50.612,949 33.387,950 89.775,951 223.651,952 112.809,953 81.567,955 0.578,956 0.355,957 0.194,958 0.099,959 17,960 8,961 0.067,962 3,963 1,964 1.133,965 3.412,966 186.366,967 0.133,968 15,969 104.042,974 15.766,975 6.557,976 3.02,977 1.783,978 96.024,979 5.369,980 8.656,981 3.094,984 0.864,986 16.786,987 418.027,988 33,993 12.035,997 -0.09,999 43.123,1000 49.106,1001 0.289,1002 0.68,1003 0.908,1004 0.925,1005 0.925,1006 0.925,1007 4.783,1008 1,1009 5.652,1010 3.61,1011 4.263,1012 4.732,1013 3.059,1014 6.497,1015 4.171,1016 5.978,1017 0.917,1018 7.238,1019 2.362,1020 3.892,1021 4.511,1022 1.738,1023 7.483,1024 3.769,1025 7.281,1026 0.848,1027 8.928,1028 2.222,1029 5.883,1030 6.879,1031 4.68,1032 10.61,1033 5.702,1034 8.618,1035 0.392,1036 10.679,1037 1.399,1038 6.365,1039 7.584,1040 3.393,1041 12.417,1042 6.15,1043 9.988,1044 -0.127,1045 12.469,1046 0.97,1047 7.817,1048 9.418,1049 6.518,1050 15.061,1051 7.548,1052 11.383,1053 -0.585,1054 14.283,1055 -0.278,1056 8.668,1057 10.557,1058 5.294,1059 17.192,1060 8.358,1061 12.797,1062 -0.614,1063 16.115,1064 -0.922,1065 9.918,1066 12.188,1067 8.412,1068 19.673,1069 9.557,1070 3.205,1071 -0.829,1072 17.96,1073 -1.49,1074 10.929,1075 13.527,1076 7.317,1077 21.945,1078 10.524,1079 2.919,1080 11.145,1081 19.814,1082 -2.428,1083 12.105,1084 15.077,1085 10.325,1086 24.369,1087 11.648,1088 2.613,1089 9.527,1090 21.676,1091 4.474,1092 13.187,1093 16.505,1094 9.381,1095 26.705,1096 12.682,1097 2.176,1098 8.302,1099 23.545,1100 3.218,1101 14.337,1102 18.023,1103 12.246,1104 29.11,1105 13.781,1106 1.554,1107 6.657,1108 25.418,1109 3.056,1110 15.452,1111 19.49,1112 11.448,1113 31.479,1114 14.846,1115 1.543,1116 4.315,1117 27.295,1118 2.619,1119 16.596,1120 20.996,1121 14.171,1122 33.879,1123 15.938,1124 1.52,1125 3.807,1126 29.176,1127 2.321,1128 17.727,1129 22.481,1130 13.507,1131 36.264,1132 17.017,1133 5032,1134 8585,1135 16.414,1136 27.819,1137 38.783,1138 41.043,1139 39.434,1140 37.352,1141 37.373,1142 47.31,1143 11.491,1144 108.632,1145 35.657,1146 5.557,1147 6.093,1148 6.572,1149 5.236,1150 5.205,1151 7.474,1152 5.231,1153 18.665,1154 4.985,1155 11.679,1156 1.551,1157 1.642,1158 1.577,1159 1.494,1160 1.495,1161 1.892,1162 0.46,1163 4.345,1164 1.426,1165 4.1,1166 4.15,1167 4.064,1168 3.952,1169 7.428,1170 3.974,1171 3.895,1172 3.952,1173 3.8,1174 3.741,1175 6.817,1176 3.745,1177 3.595,1178 3.642,1179 3.517,1180 3.418,1181 5.122,1182 3.435,1183 3.408,1184 3.495,1185 3.296,1186 3.18,1187 4.498,1188 3.195,1189 3.22,1190 3.308,1191 3.103,1192 2.993,1193 4.354,1194 3.006,1195 3.213,1196 3.304,1197 3.067,1198 2.99,1199 4.065,1200 2.993,1201 3.001,1202 3.104,1203 2.761,1204 2.799,1205 3.811,1206 2.773,1207 2.844,1208 2.903,1209 2.703,1210 2.558,1211 3.731,1212 2.591,1213 0.182,1214 0.164,1215 0.272,1216 0.166,1217 0.128,1218 4.557,1219 0.179,1220 4.093,1221 0.106,1222 6.803,1223 0.446,1224 4.155,1225 0.122,1226 3.205,1227 4.474,1228 2.65,1229 11.145,1230 3.046,1231 1.902,1232 1.851,1233 2.07,1234 2.081,1235 1.441,1236 2.077,1237 1.773,1238 1.729,1239 1.856,1240 1.957,1241 0.99,1242 1.931,1243 1.53,1244 1.486,1245 1.709,1246 1.742,1247 0.847,1248 1.73,1249 1.466,1250 1.396,1251 1.641,1252 1.696,1253 0.804,1254 1.692,1255 1.289,1256 1.199,1257 1.601,1258 1.535,1259 0.679,1260 1.563,1261 1.196,1262 1.104,1263 1.534,1264 1.45,1265 0.604,1266 1.481,1267 1.036,1268 0.935,1269 1.421,1270 1.284,1271 0.593,1272 1.337,1273 0.869,1274 0.79,1275 1.09,1276 1.123,1277 0.256,1278 1.121,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.402,1286 6.605,1287 10.075,1289 4.205,1295 2.206,1299 0.606,1300 3.925,1303 8.739,1304 1.943,1305 26.531,1306 67.381,1307 158.574,1308 211.82,1309 215.82,1310 215.82,1311 215.82,1312 41.059,1313 6.915,1314 88.91,1315 88.91,1316 17,1317 12.415,1318 3.7,1319 3.17,1320 36.646,1321 71,1322 84,1323 0.255,1324 166.338,1325 282.79,1326 397.625,1327 8339,1329 16.397,1330 0.713,1331 0.581,1332 16.397,1333 13.359,1334 11.113,1335 0.445,1336 0.311,1337 7.64,1338 10.602,1339 7.414,1340 6.159,1341 11.113,1342 7.771,1343 9.789,1344 0.28,1345 0.173,1346 9.789,1347 6.056,1348 8.578,1349 0.179,1350 0.097,1351 8.578,1352 4.666,1353 7.119,1354 0.115,1355 0.053,1356 7.119,1357 3.256,1358 5.314,1359 0.072,1360 0.03,1361 5.314,1362 2.188,1363 0.387,1364 70.171,1365 0.247,1366 22.155,1367 0.736,1368 120,1369 352.294,1370 133.066,1371 343.07,1372 463.41,1373 320,1374 143,1375 336.58,1376 157.178,1377 341.037,1378 495.21,1379 319,1380 5}
{0 CHEMBL223360,1 1.634,2 11.429,3 4.169,4 17.383,5 107.914,6 8.162,7 0.71,8 3.95,9 4.077,10 3.584,11 3.517,12 5.182,13 3.516,14 4.409,15 4.555,16 3.957,17 3.901,18 5.658,19 3.881,20 4.647,21 4.824,22 4,23 4.007,24 5.876,25 3.969,26 4.721,27 4.936,28 3.93,29 3.963,30 5.904,31 3.912,32 4.667,33 4.882,34 3.863,35 3.86,36 6.017,37 3.812,38 4.591,39 4.828,40 3.641,41 3.733,42 5.779,43 3.668,44 4.397,45 4.639,46 3.447,47 3.569,48 5.514,49 3.493,50 4.231,51 4.463,52 3.433,53 3.458,54 5.408,55 3.397,56 0.108,57 0.782,58 7.914,59 3.697,60 11.726,61 4.413,62 0.223,63 1.204,64 13.556,65 6.439,66 22.404,67 8.066,68 0.344,69 1.489,70 19.254,71 7.879,72 40.825,73 9.722,74 0.337,75 1.507,76 23.161,77 8.716,78 48.52,79 11.124,80 0.537,81 1.362,82 22.441,83 7.743,84 80.827,85 10.011,86 0.435,87 1.257,88 22.255,89 7.478,90 67.431,91 9.409,92 0.323,93 1.008,94 18.15,95 6.136,96 46.423,97 8.048,98 0.256,99 0.927,100 15.067,101 5.878,102 32.921,103 7.568,104 17,105 44,106 0.276,107 0.606,108 0.745,109 0.86,110 0.877,111 0.877,112 3.374,113 0.84,114 -5.45,115 -5.33,116 -4.98,119 45.7,120 1,142 10,143 4,144 3,147 1,152 1,159 1,163 1,164 1,165 1,168 1,172 13,175 1,177 1,178 3,179 1,180 6,183 16,185 1,187 2,191 1,192 7,194 1,195 13,197 1,199 6,204 11,207 7,209 3,212 6,217 10,220 4,222 3,224 5,229 9,232 4,234 2,237 1,242 2,245 6,250 2,253 1,254 2,255 3,257 1,258 9,263 1,268 1,271 7,275 1148,276 18.809,277 18.809,278 18.809,279 18.809,280 18.809,281 15.963,282 17.267,283 10.95,284 19.05,285 15.292,286 15.292,287 15.292,288 15.292,289 15.292,290 11.074,291 22.095,292 5.201,293 15.696,294 3.889,295 1.931,296 1.103,297 0.424,298 0.321,299 0.321,300 4.07,304 1,305 1,306 700,307 3.082,310 65.692,311 273.275,314 123.126,318 1.939,319 29.165,321 1,322 0.75,323 1,324 1,325 0.6,327 1,328 1,329 0.76,330 61,331 320,332 4.661,333 3.575,334 6.879,335 4.209,336 3.223,337 4.621,338 1.656,339 11.471,340 3.18,341 4.252,342 3.24,343 6.094,344 3.851,345 2.89,346 3.891,347 0.247,348 8.874,349 2.77,350 4.074,351 3.12,352 5.886,353 3.656,354 2.677,355 3.693,357 8.159,358 2.619,359 3.76,360 2.672,361 5.452,362 3.402,363 2.427,364 3.118,366 7.243,367 2.359,368 3.492,369 2.42,370 4.956,371 3.11,372 2.126,373 2.805,375 5.769,376 2.085,377 3.362,378 2.347,379 4.932,380 2.94,381 1.963,382 2.703,384 5.421,385 1.902,386 3.342,387 1.983,388 4.804,389 2.87,390 1.911,391 2.608,393 5.315,394 1.83,395 2.967,396 1.801,397 4.459,398 2.486,399 1.507,400 2.173,402 4.198,403 1.473,404 2.805,405 1.535,406 4.109,407 2.347,408 1.365,409 1.914,411 3.599,412 1.33,413 2.631,414 1.185,415 3.817,416 2.138,417 1.157,418 1.692,420 2.803,421 1.132,422 2.5,423 1,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.174,431 0.794,432 3.327,433 1.703,434 0.721,435 1.031,436 1.751,437 0.706,438 1.536,439 0.764,440 3.006,441 1.209,442 0.288,443 0.342,445 0.673,446 0.26,447 1.337,448 0.578,449 2.605,450 0.978,451 0.009,452 0.011,454 0.022,455 0.009,456 1,457 0.219,458 2.391,459 0.655,460 -0.332,461 -0.412,463 -0.849,464 -0.324,465 13.119,466 0.469,467 0.75,468 0.027,469 40.75,470 1.455,471 23,472 0.821,473 17.75,474 0.634,475 18.905,476 0.675,477 28.881,478 0.628,479 31.015,480 1.108,481 8.341,482 0.298,483 5.167,484 0.185,485 0.116,487 0.381,491 1,493 0.717,494 0.909,495 0.729,496 0.816,497 0.639,498 0.77,499 0.502,500 1.016,501 0.71,502 1.005,503 0.516,504 0.932,505 0.951,506 1.066,507 1.02,508 1.089,509 0.93,510 1.075,511 1.056,512 1.148,513 1.011,514 1.107,515 0.99,516 1.058,517 0.972,518 0.955,519 1.028,520 1.025,521 0.951,522 1.031,523 1.381,524 1.015,525 1.167,526 0.97,527 1.412,528 1.008,529 1.091,530 0.88,531 1.067,532 0.899,533 1.064,534 0.956,535 0.921,536 0.98,537 0.846,538 0.985,539 0.97,540 0.93,541 6,542 0.127,543 3.333,544 2.222,545 1.559,546 0.847,547 0.532,548 0.339,549 0.207,550 0.208,551 10812,552 31589,553 2.094,554 39.1,555 3,556 10,559 5,564 1.705,565 1.953,566 3.45,567 2.467,569 1,573 75.177,574 1.634,575 3.593,576 4.421,577 5.099,578 5.203,579 5.203,580 2.833,581 4.28,582 4.783,583 3.697,584 1397.53,585 8.283,586 19134.4,588 1,590 1,591 254.084,592 1.432,593 4.736,594 0.194,595 0.006,596 0.076,597 0.051,598 0.039,599 0.024,600 0.018,601 0.014,602 0.009,603 0.01,604 0.44,605 0.17,606 0.88,607 0.573,608 142.488,609 -0.07,610 0.119,611 0.005,612 0.129,613 -0.107,614 0.099,615 0.173,616 -0.028,617 0.081,618 -0.026,619 0.084,620 -0.009,621 -0.045,622 -0.047,623 -0.138,624 -0.12,625 -0.059,626 -0.145,627 -0.099,628 -0.158,629 -0.043,630 -0.126,631 -0.048,632 -0.08,633 0.068,634 -0.046,635 -0.04,636 -0.074,637 0.141,638 -0.075,639 -0.216,640 -0.025,641 -0.122,642 0.005,643 -0.185,644 -0.024,645 -0.156,646 -0.021,647 -0.047,648 0.067,649 -0.117,650 0.043,651 0.092,652 0.034,653 0.175,654 0.036,655 0.047,656 0.099,657 2.182,658 5.783,659 0.75,660 26.857,661 1.012,662 1.129,663 4.218,664 17.792,665 0.69,666 3.466,667 3.807,668 4.078,669 4.357,670 4.554,671 4.533,672 4.635,673 4.771,674 4.762,675 4.852,676 7.166,677 0.672,678 375.44,679 3.466,680 5.017,681 5.872,682 6.758,683 7.629,684 8.516,685 9.393,686 10.281,687 11.162,688 12.051,689 10.9,693 1,696 2,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,722 1,730 1,731 46,733 23,734 3,735 31,737 49,738 21,739 19,740 8,741 10,746 4,747 5,751 1,752 1,761 20,762 1,766 1,771 1,775 1,778 1,779 1,781 18,782 6,783 5,784 7,790 5,794 0.75,795 1,803 1,811 1,812 3,815 1,840 3,844 1,846 1,848 28,849 1,855 2,869 1,870 2.2,873 1,877 14.333,878 8.426,879 6.056,880 2.525,881 4.156,882 1.543,883 1.046,884 4.82,885 11.808,886 3.784,887 4.446,888 5.059,889 5.692,890 6.224,891 6.466,892 6.88,893 7.326,894 7.533,895 7.893,896 1,897 44,898 10.322,900 4.475,901 7.935,902 19.23,904 15.741,905 2.435,906 68.167,909 1,910 153.024,911 139.1,912 102.245,914 25.145,915 14.96,917 139.1,918 178.169,919 117.205,920 8.825,921 36.022,922 127.66,923 41.808,924 43.427,925 23.708,926 153.024,928 153.024,929 241.344,930 40.105,933 167.984,934 25.145,937 61.51,938 163.172,939 16.663,941 167.984,942 127.39,943 139.1,946 153.024,947 35.512,948 103.588,949 52.685,950 89.665,951 153.024,952 142.35,953 139.1,955 0.588,956 0.344,957 0.19,958 0.104,959 22,960 10,961 0.061,962 3,963 1,964 1.095,965 4.019,966 241.433,967 0.095,968 21,969 130.606,974 18.169,975 7.428,976 3.771,977 1.715,978 125.687,979 17.643,980 4.049,981 2.896,984 3.414,986 85.582,987 434.474,988 43,993 12.167,997 -0.515,999 46.534,1000 51.947,1001 0.296,1002 0.65,1003 0.8,1004 0.923,1005 0.942,1006 0.942,1007 5.014,1008 1.507,1009 5.866,1010 5.315,1011 4.489,1012 5.133,1013 1.758,1014 6.683,1015 4.438,1016 6.249,1017 1.365,1018 7.43,1019 4.198,1020 4.111,1021 4.997,1022 1.195,1023 7.594,1024 4.027,1025 7.569,1026 1.157,1027 9.09,1028 3.599,1029 6.089,1030 7.403,1031 2.415,1032 10.705,1033 5.992,1034 8.926,1035 1,1036 10.809,1037 2.803,1038 6.509,1039 8.091,1040 2.324,1041 12.482,1042 6.38,1043 10.312,1044 0.721,1045 12.567,1046 2.275,1047 7.973,1048 9.976,1049 3.244,1050 15.123,1051 7.835,1052 11.721,1053 0.288,1054 14.354,1055 1.751,1056 8.77,1057 11.075,1058 3.407,1059 17.278,1060 8.606,1061 13.15,1062 0.009,1063 16.164,1064 0.673,1065 10.03,1066 12.741,1067 4.156,1068 19.767,1069 9.856,1070 3.223,1071 -0.332,1072 17.991,1073 0.022,1074 11.01,1075 14.051,1076 4.464,1077 22.085,1078 10.815,1079 2.89,1080 11.471,1081 19.834,1082 -0.849,1083 12.19,1084 15.623,1085 5.111,1086 24.529,1087 11.984,1088 2.677,1089 8.874,1090 21.688,1091 4.621,1092 13.257,1093 17.039,1094 5.504,1095 26.914,1096 13.035,1097 2.427,1098 8.159,1099 23.554,1100 3.891,1101 14.409,1102 18.574,1103 6.091,1104 29.348,1105 14.176,1106 2.126,1107 7.243,1108 25.428,1109 3.693,1110 15.518,1111 20.043,1112 6.531,1113 31.763,1114 15.272,1115 1.963,1116 5.769,1117 27.31,1118 3.118,1119 16.664,1120 21.566,1121 7.083,1122 34.196,1123 16.408,1124 1.911,1125 5.421,1126 29.198,1127 2.805,1128 17.795,1129 23.062,1130 7.551,1131 36.623,1132 17.527,1133 10184,1134 17540,1135 20.69,1136 31.75,1137 47.051,1138 48.091,1139 48.466,1140 46.518,1141 46.524,1142 64.205,1143 3.806,1144 135.147,1145 45.305,1146 5.532,1147 5.575,1148 6.408,1149 5.253,1150 5.223,1151 7.621,1152 2.912,1153 18.697,1154 5.18,1155 13.914,1156 1.518,1157 1.551,1158 1.563,1159 1.501,1160 1.501,1161 2.071,1162 0.123,1163 4.36,1164 1.461,1165 4.134,1166 4.17,1167 4.103,1168 4.049,1169 8.201,1170 4.056,1171 3.946,1172 3.979,1173 3.9,1174 3.858,1175 7.431,1176 3.861,1177 3.851,1178 3.888,1179 3.796,1180 3.761,1181 5.248,1182 3.765,1183 3.449,1184 3.503,1185 3.394,1186 3.201,1187 4.796,1188 3.237,1189 3.356,1190 3.422,1191 3.266,1192 3.151,1193 4.688,1194 3.177,1195 3.176,1196 3.249,1197 3.048,1198 2.999,1199 4.648,1200 2.998,1201 3.027,1202 3.111,1203 2.933,1204 2.871,1205 4.321,1206 2.878,1207 2.865,1208 2.962,1209 2.723,1210 2.735,1211 4.023,1212 2.715,1213 0.15,1214 0.115,1215 0.222,1216 0.136,1217 0.104,1218 4.661,1219 0.149,1220 3.575,1221 0.053,1222 6.879,1223 0.37,1224 4.209,1225 0.103,1226 3.223,1227 4.621,1228 1.656,1229 11.471,1230 3.18,1231 2.013,1232 1.995,1233 2.089,1234 2.08,1235 1.241,1236 2.084,1237 1.906,1238 1.88,1239 2.014,1240 2.013,1241 1.122,1242 2.012,1243 1.785,1244 1.755,1245 1.895,1246 1.896,1247 0.989,1248 1.896,1249 1.356,1250 1.283,1251 1.534,1252 1.694,1253 0.589,1254 1.64,1255 1.292,1256 1.231,1257 1.484,1258 1.587,1259 0.408,1260 1.557,1261 1.146,1262 1.079,1263 1.365,1264 1.39,1265 0.311,1266 1.407,1267 1.039,1268 0.975,1269 1.249,1270 1.298,1271 0.273,1272 1.295,1273 0.897,1274 0.835,1275 1.181,1276 1.099,1277 0.218,1278 1.112,1279 4.143,1281 5.476,1282 2.398,1283 6.999,1284 4.727,1285 8.609,1286 6.823,1287 10.266,1289 1.828,1291 13.783,1293 5.968,1296 5.219,1305 30.893,1306 75.177,1307 165.281,1308 203.355,1309 234.574,1310 239.329,1311 239.329,1312 49.071,1313 7.652,1314 95.83,1315 95.83,1316 23,1317 12.583,1318 4.585,1319 3.7,1320 42.749,1321 124,1322 98,1323 0.17,1324 189.601,1325 319.64,1326 454.385,1327 23921,1328 2.2,1329 19.673,1330 0.703,1331 0.539,1332 18.803,1333 15.084,1334 13.508,1335 0.436,1336 0.28,1337 8.57,1338 13.033,1339 8.368,1340 6.971,1341 13.097,1342 8.682,1343 12.5,1344 0.284,1345 0.147,1346 11.982,1347 6.477,1348 10.363,1349 0.179,1350 0.077,1351 9.814,1352 4.441,1353 8.806,1354 0.114,1355 0.04,1356 8.653,1357 3.091,1358 7.23,1359 0.077,1360 0.022,1361 6.696,1362 2.037,1363 0.273,1364 84.505,1365 0.22,1366 27.066,1367 0.448,1368 150,1369 479.803,1370 164.843,1371 449.791,1372 612.41,1373 418,1374 177,1375 456.773,1376 191.021,1377 460.28,1378 669.85,1379 433,1380 5}
{0 CHEMBL230011,1 1.675,2 7.885,3 2.637,4 6.954,5 95.202,6 8.659,7 0.793,8 3.843,9 3.954,10 3.515,11 3.384,12 5.164,13 3.411,14 4.25,15 4.376,16 3.905,17 3.754,18 5.605,19 3.767,20 4.496,21 4.657,22 3.98,23 3.858,24 5.801,25 3.863,26 4.507,27 4.696,28 3.942,29 3.821,30 5.799,31 3.817,32 4.496,33 4.674,34 3.931,35 3.849,36 5.791,37 3.846,38 4.514,39 4.684,40 3.954,41 3.893,42 5.791,43 3.878,44 4.559,45 4.734,46 3.901,47 3.861,48 5.867,49 3.837,50 4.566,51 4.771,52 3.675,53 3.667,54 5.923,55 3.619,56 0.151,57 0.65,58 6.242,59 2.923,60 22.572,61 3.025,62 0.206,63 0.992,64 9.428,65 4.932,66 19.459,67 5.714,68 0.38,69 1.197,70 14.477,71 5.901,72 42.394,73 6.727,74 0.385,75 1.197,76 16.05,77 6.158,78 47.359,79 7.601,80 0.445,81 1.192,82 15.109,83 5.438,84 53.866,85 6.345,86 0.349,87 1.188,88 15.003,89 6.25,90 38.169,91 7.587,92 0.335,93 1.202,94 15.847,95 6.594,96 35.346,97 7.887,98 0.528,99 1.095,100 18.861,101 6.686,102 68.064,103 8.135,104 17,105 42,106 0.29,107 0.593,108 0.706,109 0.801,110 0.81,111 0.827,112 3.306,113 0.797,114 -3.67,115 -3.64,116 -3.47,119 45,142 8,143 2,144 2,146 3,147 1,149 1,150 1,163 2,164 2,165 2,172 8,174 2,175 2,177 3,178 3,180 4,183 8,186 3,187 6,189 1,190 1,192 4,195 5,198 1,199 7,201 3,202 3,203 1,204 2,206 2,207 4,210 1,212 8,214 1,215 3,217 1,220 6,222 1,224 8,227 2,229 6,232 6,234 4,237 5,240 1,242 10,245 5,247 6,250 3,253 2,254 1,255 7,257 1,258 2,260 5,263 1,266 1,267 3,268 5,270 2,271 1,273 3,275 968,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 14.631,282 10.638,283 10.119,284 17.75,285 14.347,286 14.347,287 14.347,288 14.347,289 14.347,290 10.22,291 9.826,292 4.859,293 14.991,294 3.647,295 1.9,296 1.25,297 0.7,298 0.65,299 0.55,300 4.001,303 1,304 1,305 1,306 444,307 2.236,311 260.282,315 105.77,318 1.142,319 32.774,321 1,322 0.75,323 0.83,324 0.83,325 0.3,327 0.67,328 0.5,329 0.55,330 57,331 205,332 4.649,333 3.248,334 6.774,335 4.196,336 3.234,337 4.578,339 11.176,340 3.116,341 4.297,342 2.941,343 6.389,344 3.854,345 2.895,346 3.974,348 9.753,349 2.771,350 4.054,351 2.762,352 5.838,353 3.636,354 2.654,355 3.67,357 8.121,358 2.605,359 3.737,360 2.534,361 5.176,362 3.282,363 2.329,364 3.237,366 6.384,367 2.213,368 3.499,369 2.232,370 5.075,371 3.033,372 2.109,373 2.888,375 5.993,376 1.951,377 3.423,378 2.164,379 5.002,380 2.969,381 2.03,382 2.787,384 5.823,385 1.895,386 3.269,387 1.989,388 4.888,389 2.826,390 1.889,391 2.538,393 5.438,394 1.761,395 2.868,396 1.492,397 4.383,398 2.382,399 1.411,400 2.03,402 3.928,403 1.365,404 2.697,405 1.285,406 3.972,407 2.215,408 1.236,409 1.786,411 3.058,412 1.208,413 2.571,414 1.091,415 3.484,416 2.068,417 1.08,418 1.606,420 2.53,421 1.066,422 2.459,423 1.031,424 3.472,425 1.935,426 1,427 1.441,428 2.497,429 0.932,430 1.461,431 0.159,432 3.09,433 1.02,434 0.087,435 0.116,436 0.245,437 0.081,438 1.126,439 -0.057,440 2.816,441 0.631,442 -0.302,443 -0.416,445 -0.804,446 -0.281,447 0.937,448 -0.057,449 2.555,450 0.527,451 -0.404,452 -0.51,454 -0.901,455 -0.37,456 0.92,457 -0.258,458 2.37,459 0.502,460 -0.42,461 -0.529,463 -1.023,464 -0.382,465 12.067,466 0.464,467 0.75,468 0.029,469 41.5,470 1.596,471 24,472 0.923,473 17.5,474 0.673,475 15.646,476 0.602,477 26.333,478 0.658,479 31.77,480 1.222,481 8.228,482 0.316,483 4.28,484 0.165,485 0.122,487 0.414,493 1.119,494 1.065,495 0.755,496 0.753,497 1.21,498 0.682,499 0.562,500 1.047,501 0.628,502 1.018,503 0.518,504 0.881,505 1.035,506 1.088,507 0.925,508 0.99,509 1,510 0.948,511 0.828,512 1.029,513 0.824,514 0.956,515 0.731,516 0.902,517 1.021,518 0.943,519 1.012,520 0.816,521 0.916,522 0.871,523 0.794,524 1.068,525 0.897,526 1.019,527 0.708,528 0.978,529 0.958,530 1.221,531 1.072,532 1.267,533 0.896,534 1.202,535 1.214,536 1.162,537 1.277,538 1.301,539 1.326,540 1.311,541 6,542 0.012,543 2.889,544 2,545 1.933,546 1.035,547 0.773,548 0.606,549 0.358,550 0.144,551 6983,552 22132,553 2.101,554 35,556 8,559 6,564 1.701,565 1.95,566 2.983,567 3.468,568 1,569 1,571 1,573 67.006,574 1.675,575 3.422,576 4.072,577 4.622,578 4.672,579 4.772,580 2.411,581 3.594,582 4.672,583 3.145,584 1022,585 8.154,586 12426.2,587 1,588 1,589 1,590 1,591 212.877,592 1.46,593 4.624,594 0.207,595 0.006,596 0.069,597 0.045,598 0.046,599 0.025,600 0.018,601 0.016,602 0.013,603 0.01,604 0.455,605 0.33,606 1,607 0.596,608 123.35,609 -0.263,610 0.048,611 -0.044,612 0.188,613 -0.341,614 0.139,615 0.154,616 0.046,617 0.108,618 -0.061,619 0.123,620 -0.014,621 -0.091,622 -0.037,623 -0.068,624 -0.051,625 -0.13,626 -0.062,627 0.035,628 -0.001,629 0.095,630 -0.006,631 0.064,632 0.038,633 -0.124,634 0.136,635 -0.139,636 0.102,637 -0.108,638 0.013,639 0.003,640 -0.043,641 -0.032,642 -0.048,643 0.022,644 -0.04,645 -0.078,646 -0.225,647 -0.173,648 -0.296,649 -0.018,650 -0.256,651 -0.045,652 -0.243,653 -0.23,654 -0.323,655 -0.068,656 -0.32,657 1.67,658 3.83,659 0.846,660 19.941,661 1.02,662 1.127,663 2.443,664 5.967,665 0.7,666 3.401,667 3.761,668 4.043,669 4.369,670 4.673,671 4.82,672 4.997,673 5.165,674 5.288,675 5.252,676 5.233,677 0.692,678 346.38,679 3.401,680 4.963,681 5.826,682 6.727,683 7.612,684 8.521,685 9.417,686 10.33,687 11.232,688 12.147,689 15,693 2,699 4,703 2,704 8,705 4,709 8,711 23,722 2,728 2,731 40,733 23,734 2,735 29,737 43,738 18,739 18,740 4,741 8,746 4,747 5,761 18,777 1,778 1,781 14,782 8,783 6,784 8,790 6,794 0.75,795 2,802 1,806 1,812 4,816 1,840 3,848 26,849 2,853 2,870 5,872 2,877 13.333,878 7.033,879 5.556,880 2.09,881 4.41,882 1.585,883 0.998,884 3.88,885 11.946,886 3.726,887 4.425,888 5.075,889 5.749,890 6.417,891 6.84,892 7.373,893 7.9,894 8.391,895 8.697,896 1,897 44,898 9.529,900 4.18,901 7.987,902 17.529,904 14.367,905 2.487,906 64.667,909 1,910 94.169,911 95.781,912 132.936,914 85.367,917 95.781,918 179.536,919 132.936,922 141.604,923 152.509,924 15.744,925 4.227,926 94.169,928 94.169,929 228.718,930 85.367,933 95.884,934 85.367,937 9.557,938 150.303,939 67.142,941 94.169,942 218.303,943 95.781,946 94.169,947 19.971,948 75.81,950 218.303,951 94.169,952 218.303,953 95.781,955 0.591,956 0.339,957 0.192,958 0.113,959 22,960 10,961 0.047,962 2,963 1,964 1.091,965 3.637,966 235.083,967 0.091,968 22,969 112.211,974 16.21,975 6.224,976 3.048,977 0.554,978 218.303,979 13.226,980 17.142,984 2.499,986 151.161,987 408.253,988 40.5,999 40.8,1000 45.069,1001 0.315,1002 0.643,1003 0.765,1004 0.868,1005 0.878,1006 0.897,1007 4.961,1008 1.411,1009 5.832,1010 5.438,1011 4.443,1012 5.112,1014 6.671,1015 4.356,1016 6.212,1017 1.236,1018 7.405,1019 3.928,1020 4.111,1021 5.007,1023 7.591,1024 3.968,1025 7.542,1026 1.08,1027 9.076,1028 3.058,1029 6.061,1030 7.417,1032 10.724,1033 5.9,1034 8.906,1035 1,1036 10.802,1037 2.53,1038 6.494,1039 8.089,1041 12.468,1042 6.282,1043 10.299,1044 0.087,1045 12.566,1046 2.497,1047 7.958,1048 9.993,1050 15.131,1051 7.727,1052 11.712,1053 -0.302,1054 14.356,1055 0.245,1056 8.76,1057 11.063,1059 17.239,1060 8.483,1061 13.143,1062 -0.404,1063 16.166,1064 -0.804,1065 10.025,1066 12.741,1068 19.729,1069 9.724,1070 3.234,1071 -0.42,1072 17.992,1073 -0.901,1074 11.008,1075 14.022,1077 21.999,1078 10.665,1079 2.895,1080 11.176,1081 19.831,1082 -1.023,1083 12.195,1084 15.597,1086 24.426,1087 11.822,1088 2.654,1089 9.753,1090 21.681,1091 4.578,1092 13.266,1093 16.989,1095 26.766,1096 12.853,1097 2.329,1098 8.121,1099 23.539,1100 3.974,1101 14.425,1102 18.52,1104 29.172,1105 13.978,1106 2.109,1107 6.384,1108 25.404,1109 3.67,1110 15.539,1111 19.969,1113 31.545,1114 15.053,1115 2.03,1116 5.993,1117 27.275,1118 3.237,1119 16.691,1120 21.483,1122 33.945,1123 16.17,1124 1.889,1125 5.823,1126 29.151,1127 2.888,1128 17.827,1129 22.963,1131 36.334,1132 17.267,1133 6705,1134 12062,1135 19.304,1136 27.989,1137 44.451,1138 43.771,1139 45.569,1140 43.99,1141 43.908,1142 61.301,1144 129.891,1145 41.928,1146 5.346,1147 5.248,1148 6.327,1149 5.279,1150 5.234,1151 7.578,1153 18.39,1154 5.116,1155 12.864,1156 1.533,1157 1.509,1158 1.571,1159 1.517,1160 1.514,1161 2.114,1163 4.479,1164 1.446,1165 4.091,1166 4.128,1167 4.075,1168 3.982,1169 6.473,1170 3.997,1171 3.852,1172 3.882,1173 3.805,1174 3.787,1175 6.468,1176 3.785,1177 3.845,1178 3.874,1179 3.793,1180 3.712,1181 5.34,1182 3.735,1183 3.378,1184 3.439,1185 3.336,1186 3.197,1187 4.99,1188 3.223,1189 3.104,1190 3.219,1191 3.003,1192 2.81,1193 4.887,1194 2.846,1195 2.946,1196 2.98,1197 2.846,1198 2.747,1199 4.591,1200 2.758,1201 2.936,1202 2.973,1203 2.819,1204 2.746,1205 4.555,1206 2.749,1207 2.872,1208 2.944,1209 2.757,1210 2.724,1211 4.15,1212 2.724,1213 0.16,1214 0.112,1215 0.234,1216 0.145,1217 0.112,1218 4.649,1219 0.158,1220 3.248,1222 6.774,1223 0.385,1224 4.196,1225 0.107,1226 3.234,1227 4.578,1229 11.176,1230 3.116,1231 2.008,1232 1.982,1233 2.064,1234 2.14,1235 1.164,1236 2.112,1237 1.847,1238 1.826,1239 1.957,1240 1.939,1241 1.03,1242 1.943,1243 1.786,1244 1.749,1245 1.845,1246 1.937,1247 0.844,1248 1.923,1249 1.286,1250 1.239,1251 1.397,1252 1.52,1253 0.407,1254 1.488,1255 0.989,1256 0.892,1257 1.263,1258 1.373,1259 0.185,1260 1.352,1261 0.883,1262 0.84,1263 1.142,1264 1.146,1265 0.144,1266 1.132,1267 0.883,1268 0.839,1269 1.138,1270 1.142,1271 0.106,1272 1.131,1273 0.845,1274 0.792,1275 1.059,1276 1.062,1278 1.071,1279 4.078,1281 5.425,1283 6.973,1285 8.617,1287 10.312,1293 11.587,1294 19.658,1305 27.665,1306 67.006,1307 136.877,1308 162.877,1309 184.877,1310 186.877,1311 190.877,1312 42.163,1313 7.536,1314 144.06,1315 144.06,1316 24,1317 12.661,1318 4.585,1319 3.644,1320 37.551,1321 80,1322 74,1323 0.231,1324 170.416,1325 281.46,1326 407.575,1327 17492,1329 18.259,1330 0.702,1331 0.518,1332 18.259,1333 13.457,1334 12.508,1335 0.431,1336 0.266,1337 7.597,1338 12.051,1339 7.471,1340 6.185,1341 12.508,1342 7.706,1343 11.841,1344 0.282,1345 0.135,1346 11.841,1347 5.661,1348 9.65,1349 0.172,1350 0.068,1351 9.65,1352 3.815,1353 8.595,1354 0.11,1355 0.035,1356 8.595,1357 2.695,1358 7.121,1359 0.067,1360 0.017,1361 7.121,1362 1.843,1363 0.345,1364 78.413,1365 0.228,1366 24.278,1367 0.696,1368 142,1369 433.504,1370 156.754,1371 431.088,1372 596.14,1373 400,1374 169,1375 455.018,1376 183.285,1377 462.753,1378 679.33,1379 436,1380 7.081}
{0 CHEMBL230131,1 1.692,2 7.053,3 1.281,4 1.641,5 69.163,6 8.267,7 0.682,8 3.612,9 3.712,10 3.29,11 3.092,12 4.722,13 3.129,14 4.168,15 4.325,16 3.651,17 3.473,18 5.253,19 3.502,20 4.314,21 4.502,22 3.674,23 3.551,24 5.352,25 3.545,26 4.255,27 4.457,28 3.542,29 3.489,30 5.252,31 3.465,32 4.205,33 4.405,34 3.41,35 3.386,36 5.227,37 3.353,38 4.104,39 4.309,40 3.214,41 3.251,42 5.102,43 3.199,44 3.858,45 4.1,46 2.786,47 2.959,48 4.796,49 2.87,50 3.515,51 3.762,52 2.285,53 2.658,54 4.388,55 2.497,56 0.069,57 0.505,58 5.277,59 2.527,60 4.364,61 2.969,62 0.355,63 0.803,64 11.904,65 4.042,66 18.527,67 4.769,68 0.46,69 0.885,70 15.049,71 4.966,72 21.796,73 6.533,74 0.306,75 0.846,76 14.047,77 4.885,78 18.876,79 6.407,80 0.398,81 0.763,82 13.984,83 4.664,84 24.82,85 5.913,86 0.376,87 0.685,88 12.524,89 3.987,90 21.76,91 5.213,92 0.271,93 0.519,94 10.284,95 3.034,96 18.037,97 4.199,98 0.151,99 0.35,100 7.268,101 2.723,102 12.508,103 3.847,105 31,106 0.315,107 0.665,108 0.79,109 0.802,110 0.802,111 0.802,112 3.013,113 0.851,114 -2.59,115 -2.61,116 -2.54,119 41.9,125 4,142 2,143 1,145 1,146 1,147 1,148 1,152 1,161 1,172 2,174 3,175 4,183 1,186 4,187 3,198 2,199 4,211 3,212 2,223 1,224 2,236 1,237 1,249 1,250 1,263 1,275 371,276 13.483,277 13.483,278 13.483,279 13.483,280 13.483,281 11.825,282 10.455,283 8.106,284 13.935,285 10.914,286 10.914,287 10.914,288 10.914,289 10.914,290 8.399,291 14.862,292 3.859,293 11.609,294 3.262,295 1.379,296 0.71,297 0.645,298 0.645,299 0.645,300 3.72,304 1,305 1,306 304,307 1.732,310 23.335,311 111.725,314 95.884,318 1.014,319 16.515,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 42,331 134,332 4.755,333 3.352,334 6.915,335 4.261,336 3.287,337 4.846,338 0.86,339 11.661,340 3.204,341 4.091,342 2.973,343 6.285,344 3.719,345 2.78,346 3.696,347 0.8,348 9.412,349 2.609,350 3.518,351 2.394,352 5.453,353 3.123,354 2.182,355 2.889,357 6.691,358 2.048,359 3.201,360 2.077,361 4.935,362 2.773,363 1.829,364 2.443,366 5.375,367 1.728,368 2.984,369 1.743,370 4.238,371 2.526,372 1.58,373 2.141,375 3.79,376 1.489,377 2.82,378 1.493,379 3.812,380 2.268,381 1.349,382 1.977,384 3.066,385 1.248,386 2.642,387 1.319,388 3.604,389 2.24,390 1.304,391 1.687,393 2.912,394 1.201,395 2.274,396 1.256,397 3.511,398 1.952,399 1,400 1.239,402 2.524,403 0.946,404 2,405 1.091,406 3.247,407 1.91,408 1,409 1,411 2.136,412 0.904,413 1.842,414 0.444,415 3.08,416 1.35,417 0.399,418 0.569,420 1.006,421 0.378,422 0.966,423 -0.275,424 2.465,425 0.527,426 -0.399,427 -0.493,428 -0.966,429 -0.368,430 0.799,431 -0.36,432 2.405,433 0.263,434 -0.701,435 -1,436 -1.78,437 -0.673,438 0.572,439 -0.701,440 2.139,441 0.12,442 -0.828,443 -1.023,445 -1.958,446 -0.782,447 0.317,448 -0.755,449 2,450 -0.041,451 -1,452 -1.052,454 -2.347,455 -0.846,456 0.203,457 -0.959,458 1.786,459 -0.149,460 -1,461 -1.396,463 -2.421,464 -0.955,465 8.767,466 0.461,467 0.325,468 0.017,469 26.75,470 1.408,471 12.5,472 0.658,473 14.25,474 0.75,475 12.001,476 0.632,477 20.033,478 0.646,479 16.096,480 0.847,481 5.314,482 0.28,483 4.118,484 0.217,487 0.331,493 0.892,494 1.572,495 0.642,496 1.236,497 0.728,498 0.946,499 1.279,500 0.942,501 0.9,502 0.814,503 1.074,504 0.774,505 0.934,506 1.019,507 0.856,508 0.872,509 0.798,510 0.855,511 0.936,512 1.039,513 0.926,514 1.02,515 0.928,516 0.974,517 1.173,518 0.925,519 1.075,520 0.959,521 1.198,522 1.001,523 1.118,524 1.14,525 1.229,526 1.113,527 1.224,528 1.176,529 1.029,530 0.847,531 1.324,532 1.027,533 1.317,534 1.175,535 0.508,536 0.952,537 1.226,538 1.347,539 0.831,540 1.433,541 2,543 2,544 1.514,545 0.622,546 0.507,547 0.241,548 0.036,549 0.029,550 0.007,551 3294,552 8991,553 2.273,554 38.7,556 10,558 2,564 1.608,565 2.235,566 2.87,567 -0.672,569 1,571 1,573 52.455,574 1.692,575 3.575,576 4.245,577 4.309,578 4.309,579 4.309,580 2.249,581 3.932,582 4.222,583 2.925,584 500.139,585 7.213,586 4695.76,587 1,588 1,591 153.58,592 0.9,593 4.22,594 0.091,596 0.065,597 0.049,598 0.023,599 0.022,600 0.013,601 0.003,602 0.005,603 0.003,604 0.274,605 0.67,606 1,608 79.974,609 -0.071,610 -0.434,611 0.094,612 -0.234,613 0.035,614 -0.069,615 -0.138,616 0.136,617 -0.011,618 0.119,619 -0.071,620 0.09,621 0.098,622 -0.019,623 0.091,624 0.085,625 0.149,626 0.08,627 -0.06,628 -0.036,629 0.01,630 -0.057,631 -0.008,632 -0.015,633 -0.093,634 0.035,635 -0.099,636 0.003,637 -0.121,638 -0.05,639 -0.088,640 -0.175,641 -0.257,642 -0.168,643 -0.185,644 -0.231,645 -0.144,646 0.125,647 -0.322,648 -0.104,649 -0.298,650 -0.209,651 0.142,652 -0.072,653 -0.232,654 -0.323,655 -0.017,656 -0.354,657 1.062,658 2.318,659 1,660 10.87,661 1.019,662 1.131,663 1.359,664 1.846,665 0.677,666 3.135,667 3.466,668 3.829,669 4.174,670 4.443,671 4.522,672 4.71,673 4.836,674 4.779,675 4.796,676 4.302,677 0.665,678 256.29,679 3.135,680 4.673,681 5.557,682 6.457,683 7.362,684 8.274,685 9.187,686 10.104,687 11.021,688 11.94,689 12.9,695 1,699 3,703 4,704 4,705 3,707 1,709 1,711 15,726 1,731 31,733 15,735 22,737 34,738 13,739 9,746 4,747 7,761 9,762 4,778 1,780 1,781 12,782 6,784 6,790 4,794 0.5,795 2,805 1,806 1,811 1,812 3,815 2,839 1,840 2,848 19,854 4,856 1,859 1,870 6.5,874 1,875 1,877 8.5,878 5.717,879 4.139,880 1.906,881 3.277,882 1.459,883 1.041,884 2.519,885 10.415,886 3.418,887 4.082,888 4.812,889 5.54,890 6.175,891 6.618,892 7.138,893 7.606,894 7.765,895 8.059,896 0.8,897 31,898 6.997,900 3.028,901 7.623,902 13.476,904 11.251,905 2.123,906 40.333,907 0.001,910 141.253,911 66.303,912 53.481,914 20.507,917 66.303,918 161.76,919 53.481,921 13.396,922 18.952,923 89.306,924 35.015,925 7.164,926 117.711,928 141.253,929 119.784,930 20.507,933 141.253,934 9.507,935 11,937 37.614,938 31.814,939 50.357,941 141.253,942 73.988,943 66.303,946 141.253,947 29.685,948 39.743,950 70.864,951 141.253,952 73.988,953 66.303,955 0.574,956 0.352,957 0.212,958 0.12,959 18,960 6,961 0.029,962 1,963 2,964 1.211,965 3.209,966 153.247,967 0.211,968 19,969 76.711,974 10.999,975 4.351,976 1.731,977 3.055,978 73.988,979 7.139,980 12.913,982 5.818,984 0.825,987 281.545,988 29.5,999 31.596,1000 35.073,1001 0.342,1002 0.722,1003 0.857,1004 0.87,1005 0.87,1006 0.87,1007 4.642,1008 1,1009 5.525,1010 2.912,1011 4.143,1012 4.766,1013 1.235,1014 6.382,1015 4.037,1016 5.848,1017 1,1018 7.098,1019 2.524,1020 3.611,1021 4.62,1022 0.325,1023 7.368,1024 3.498,1025 7.169,1026 0.399,1027 8.781,1028 2.136,1029 5.753,1030 7.118,1031 0.938,1032 10.555,1033 5.57,1034 8.539,1035 -0.399,1036 10.535,1037 1.006,1038 6.155,1039 7.938,1040 0.268,1041 12.441,1042 5.977,1043 9.953,1044 -0.701,1045 12.334,1046 -0.966,1047 7.707,1048 9.859,1049 0.732,1050 15.122,1051 7.472,1052 11.399,1053 -0.828,1054 14.164,1055 -1.78,1056 8.545,1057 11.114,1058 0.188,1059 17.346,1060 8.311,1061 12.869,1062 -1,1063 16.015,1064 -1.958,1065 9.858,1066 12.815,1067 0.57,1068 19.868,1069 9.582,1070 3.287,1071 -1,1072 17.881,1073 -2.347,1074 10.891,1075 14.258,1076 0.125,1077 22.223,1078 10.608,1079 2.78,1080 11.661,1081 19.759,1082 -2.421,1083 12.114,1084 15.876,1085 0.438,1086 24.693,1087 11.799,1088 2.182,1089 9.412,1090 21.646,1091 4.846,1092 13.23,1093 17.398,1094 0.082,1095 27.101,1096 12.902,1097 1.829,1098 6.691,1099 23.539,1100 3.696,1101 14.422,1102 18.987,1103 0.334,1104 29.556,1105 14.067,1106 1.58,1107 5.375,1108 25.437,1109 2.889,1110 15.575,1111 20.54,1112 0.054,1113 31.987,1114 15.202,1115 1.349,1116 3.79,1117 27.34,1118 2.443,1119 16.757,1120 22.12,1121 0.252,1122 34.438,1123 16.361,1124 1.304,1125 3.066,1126 29.247,1127 2.141,1128 17.926,1129 23.687,1130 0.035,1131 36.881,1132 17.51,1133 3062,1134 5170,1135 15.603,1136 20.977,1137 33.435,1138 33.627,1139 33.798,1140 33.425,1141 33.419,1142 44.973,1143 3.32,1144 97.146,1145 31.51,1146 5.755,1147 5.352,1148 6.717,1149 5.364,1150 5.287,1151 7.846,1152 1.72,1153 19.199,1154 5.155,1156 1.52,1157 1.529,1158 1.536,1159 1.519,1160 1.519,1161 2.044,1162 0.151,1163 4.416,1164 1.432,1165 4.17,1166 4.187,1167 4.157,1168 4.028,1169 5.287,1170 4.057,1171 3.777,1172 3.832,1173 3.686,1174 3.577,1175 4.798,1176 3.595,1177 3.557,1178 3.61,1179 3.475,1180 3.377,1181 4.606,1182 3.393,1183 3.111,1184 3.206,1185 3.019,1186 2.941,1187 4.375,1188 2.91,1189 3.089,1190 3.123,1191 2.866,1192 2.862,1193 4.032,1194 2.892,1195 2.926,1196 2.985,1197 2.857,1198 2.671,1199 3.807,1200 2.711,1201 2.755,1202 2.829,1203 2.642,1204 2.49,1205 3.521,1206 2.517,1207 2.443,1208 2.517,1209 2.308,1210 2.217,1211 3.474,1212 2.225,1213 0.216,1214 0.152,1215 0.314,1216 0.194,1217 0.149,1218 4.755,1219 0.22,1220 3.352,1221 0.039,1222 6.915,1223 0.53,1224 4.261,1225 0.146,1226 3.287,1227 4.846,1228 0.86,1229 11.661,1230 3.204,1231 1.907,1232 1.878,1233 1.98,1234 2.05,1235 1.213,1236 2.028,1237 1.769,1238 1.73,1239 1.918,1240 1.975,1241 1.054,1242 1.956,1243 1.565,1244 1.522,1245 1.691,1246 1.811,1247 0.825,1248 1.78,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.709,1254 1.429,1255 0.975,1256 0.954,1257 1.127,1258 1.237,1259 0.256,1260 1.196,1261 0.857,1262 0.801,1263 1.05,1264 1.115,1265 0.144,1266 1.092,1267 0.713,1268 0.638,1269 1.027,1270 1.014,1272 1.027,1273 0.515,1274 0.433,1275 0.81,1276 0.769,1278 0.786,1279 3.807,1281 5.13,1282 2.398,1283 6.678,1284 4.844,1285 8.326,1286 7.066,1287 10.023,1295 3.057,1297 5.364,1300 2.163,1305 20.622,1306 52.455,1307 110.825,1308 131.58,1309 133.58,1310 133.58,1311 133.58,1312 18.751,1313 7.138,1314 64.28,1315 64.28,1316 23,1317 12.449,1318 4,1319 3.087,1320 24.241,1321 49,1322 47,1323 0.254,1324 123.503,1325 197.06,1326 293.106,1327 11042,1329 12.656,1330 0.666,1331 0.539,1332 12.656,1333 10.243,1334 9.433,1335 0.429,1336 0.284,1337 6.098,1338 8.881,1339 6.039,1340 4.915,1341 9.433,1342 6.242,1343 8.265,1344 0.267,1345 0.143,1346 8.265,1347 4.433,1348 7.523,1349 0.167,1350 0.074,1351 7.523,1352 3.321,1353 6.806,1354 0.106,1355 0.037,1356 6.806,1357 2.4,1358 5.828,1359 0.069,1360 0.019,1361 5.828,1362 1.625,1363 0.376,1364 60.35,1365 0.253,1366 18.472,1367 0.769,1368 106,1369 342.052,1370 120.884,1371 319.401,1372 448.33,1373 304,1374 129,1375 340.12,1376 145.744,1377 337.844,1378 506.05,1379 319,1380 6.252}
{0 CHEMBL230239,1 1.633,2 7.96,3 3.459,4 11.966,5 97.871,6 8.499,7 0.724,8 3.857,9 3.955,10 3.607,11 3.494,12 4.93,13 3.461,14 4.396,15 4.542,16 4.009,17 3.894,18 5.435,19 3.844,20 4.585,21 4.776,22 4.083,23 3.977,24 5.561,25 3.904,26 4.536,27 4.739,28 3.983,29 3.946,30 5.507,31 3.852,32 4.487,33 4.668,34 3.974,35 3.948,36 5.487,37 3.859,38 4.502,39 4.652,40 3.99,41 3.992,42 5.491,43 3.909,44 4.567,45 4.742,46 3.834,47 3.978,48 5.543,49 3.868,50 4.603,51 4.834,52 3.509,53 3.859,54 5.483,55 3.686,56 0.009,57 0.619,58 7.004,59 3.637,60 4.946,61 4.227,62 0.214,63 1.08,64 15.451,65 6.239,66 16.752,67 6.984,68 0.277,69 1.299,70 21.843,71 7.854,72 21.097,73 9.507,74 0.215,75 1.275,76 21.552,77 7.981,78 21.915,79 9.44,80 0.256,81 1.218,82 22.511,83 8.065,84 21.409,85 9.015,86 0.16,87 1.21,88 20.141,89 7.709,90 13.169,91 8.374,92 0.207,93 1.229,94 19.092,95 7.925,96 20.662,97 9.397,98 0.192,99 1.184,100 22.964,101 9.512,102 27.704,103 12.239,105 41,106 0.282,107 0.603,108 0.729,109 0.795,110 0.807,111 0.807,112 3.269,113 0.947,114 -4.07,115 -4.01,116 -3.8,119 46.3,125 4,142 7,143 2,145 1,146 1,147 1,149 1,152 1,161 1,172 8,174 2,175 6,183 8,186 1,187 9,195 4,198 2,199 8,207 2,211 3,212 6,220 4,224 6,232 7,236 1,237 5,245 7,249 1,250 5,258 4,263 4,271 1,275 805,276 17.706,277 17.706,278 17.706,279 17.706,280 17.706,281 15.388,282 10.455,283 10.665,284 18.295,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 10.884,291 14.862,292 5.132,293 15.401,294 3.725,295 1.864,296 1.132,297 0.75,298 0.683,299 0.683,300 3.99,303 1,304 1,305 1,306 452,307 2,310 34.898,311 214.421,314 140.192,318 1.011,319 15.783,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 199,332 4.778,333 3.38,334 6.937,335 4.251,336 3.318,337 4.866,338 0.86,339 11.761,340 3.096,341 4.216,342 2.973,343 6.305,344 3.784,345 2.833,346 3.878,347 0.8,348 9.513,349 2.713,350 4.001,351 2.782,352 6.099,353 3.66,354 2.712,355 3.534,357 8.895,358 2.553,359 3.516,360 2.37,361 5.452,362 3.094,363 2.162,364 2.898,366 6.683,367 2.007,368 3.279,369 2.07,370 4.943,371 2.769,372 1.846,373 2.634,375 5.408,376 1.724,377 3.17,378 1.803,379 4.507,380 2.703,381 1.768,382 2.375,384 4.561,385 1.617,386 2.917,387 1.713,388 4.201,389 2.437,390 1.525,391 2.07,393 3.663,394 1.379,395 2.66,396 1.42,397 3.621,398 2.231,399 1.312,400 1.723,402 2.915,403 1.19,404 2.62,405 1.256,406 3.583,407 2.106,408 1.141,409 1.669,411 2.722,412 1.096,413 2.5,414 1.148,415 3.51,416 2,417 1,418 1.5,420 2.566,421 1,422 2.28,423 1.088,424 3.247,425 1.952,426 1,427 1.243,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.909,434 1,435 1,436 2.136,437 0.904,438 1.891,439 0.507,440 3.234,441 1.33,442 0.462,443 0.652,445 1.228,446 0.394,447 1.055,448 -0.262,449 2.73,450 0.568,451 -0.349,452 -0.458,454 -0.935,455 -0.315,456 0.857,457 -0.36,458 2.587,459 0.397,460 -0.549,461 -0.697,463 -1.369,464 -0.513,465 12.267,466 0.491,467 0.445,468 0.018,469 35.75,470 1.43,471 18.5,472 0.74,473 17.25,474 0.69,475 18.792,476 0.752,477 24.933,478 0.608,479 23.198,480 0.928,481 6.831,482 0.273,483 5.568,484 0.223,487 0.318,493 0.843,494 1.234,495 0.669,496 0.914,497 0.764,498 0.839,499 1.356,500 0.983,501 0.854,502 0.813,503 1.112,504 0.807,505 1.078,506 1.141,507 0.815,508 0.879,509 0.95,510 0.834,511 0.871,512 1.01,513 1.009,514 0.919,515 0.982,516 0.869,517 0.866,518 0.974,519 1.281,520 1.082,521 0.913,522 0.891,523 1.089,524 1.193,525 1.323,526 1.271,527 1.054,528 1.129,529 1.06,530 1.04,531 1.197,532 1.158,533 1.185,534 1.259,535 0.708,536 1.027,537 1.086,538 1.214,539 0.939,540 1.332,541 3,543 2.444,544 1.514,545 1.004,546 1.146,547 0.533,548 0.116,549 0.098,550 0.052,551 6929,552 17559,553 2.277,554 39,556 15,558 1,564 1.69,565 2.239,566 3,567 -0.751,569 1,573 66.949,574 1.633,575 3.494,576 4.226,577 4.607,578 4.675,579 4.675,580 2.263,581 4.244,582 4.615,583 3.125,584 937.507,585 8.033,586 10965.7,587 1,588 1,590 1,591 219.66,592 0.904,593 4.616,594 0.103,596 0.06,597 0.036,598 0.026,599 0.029,600 0.013,601 0.003,602 0.004,603 0.005,604 0.28,605 0.5,606 0.88,608 116.819,609 -0.011,610 -0.208,611 0.082,612 -0.039,613 0.007,614 -0.003,615 -0.106,616 0.071,617 0.045,618 0.106,619 -0.095,620 0.052,621 0.014,622 -0.116,623 0.165,624 0.08,625 0.052,626 0.099,627 -0.016,628 0.065,629 0.038,630 0.077,631 0.018,632 0.074,633 0.048,634 0.121,635 -0.107,636 0.003,637 0.069,638 0.049,639 -0.177,640 -0.121,641 -0.277,642 -0.251,643 -0.195,644 -0.233,645 -0.145,646 -0.04,647 -0.332,648 -0.244,649 -0.251,650 -0.346,651 0.049,652 -0.153,653 -0.188,654 -0.258,655 -0.044,656 -0.294,657 0.904,658 2.013,659 1,660 18.928,661 1.003,662 1.113,663 2.836,664 8.043,665 0.724,666 3.401,667 3.738,668 4.094,669 4.443,670 4.762,671 4.92,672 5.182,673 5.38,674 5.464,675 5.545,676 5.093,677 0.687,678 348.46,679 3.401,680 4.949,681 5.832,682 6.732,683 7.639,684 8.553,685 9.471,686 10.393,687 11.317,688 12.244,689 9.8,695 1,699 3,703 4,704 8,705 3,708 1,709 3,711 21,726 1,731 41,733 21,734 1,735 29,737 45,738 19,739 15,740 1,741 5,746 5,747 8,761 15,762 4,777 1,778 1,781 16,782 5,784 6,785 1,790 4,794 0.6,795 1,805 1,806 1,811 1,812 4,815 2,839 1,840 3,842 1,848 25,854 4,856 1,859 1,865 1,870 2.4,874 1,877 11.167,878 7.55,879 5.417,880 2.546,881 4.122,882 1.525,883 1.065,884 3.746,885 11.97,886 3.701,887 4.366,888 5.083,889 5.802,890 6.475,891 6.961,892 7.559,893 8.105,894 8.475,895 8.893,896 0.667,897 42,898 9.23,900 4,901 7.5,902 18.057,904 15.34,905 2,906 50,909 1,910 188.338,911 133.676,912 53.481,914 11,916 31.278,917 102.399,918 199.338,919 53.481,921 13.396,922 66.334,923 73.445,924 22.402,925 3.074,926 207.844,928 188.338,929 155.88,930 11,931 31.278,933 190.666,935 11,937 24.905,938 78.29,939 50.357,940 31.278,941 188.338,942 64.481,943 133.676,946 188.338,947 58.295,948 78.505,950 61.356,951 188.338,952 64.481,953 133.676,955 0.575,956 0.346,957 0.204,958 0.12,959 23,960 8,961 0.044,962 2,963 2,964 1.16,965 3.728,966 230.173,967 0.16,968 25,969 108.096,970 1,974 15.031,975 6.231,976 2.631,977 4.196,978 64.481,979 16.037,980 14.337,983 1.667,984 2.787,987 386.495,988 39.5,999 41.113,1000 45.614,1001 0.305,1002 0.652,1003 0.789,1004 0.86,1005 0.873,1006 0.873,1007 4.929,1008 1.312,1009 5.802,1010 3.663,1011 4.419,1012 5.053,1013 1.235,1014 6.653,1015 4.289,1016 6.14,1017 1.141,1018 7.371,1019 2.915,1020 3.892,1021 4.856,1022 0.325,1023 7.609,1024 3.701,1025 7.457,1026 1,1027 9.048,1028 2.722,1029 6.028,1030 7.375,1031 0.938,1032 10.792,1033 5.779,1034 8.82,1035 1,1036 10.793,1037 2.566,1038 6.415,1039 8.124,1040 0.268,1041 12.636,1042 6.096,1043 10.224,1044 1,1045 12.582,1046 2.136,1047 7.965,1048 10.063,1049 0.732,1050 15.315,1051 7.595,1052 11.658,1053 0.462,1054 14.401,1055 2.136,1056 8.781,1057 11.261,1058 0.188,1059 17.51,1060 8.335,1061 13.116,1062 -0.349,1063 16.24,1064 1.228,1065 10.093,1066 12.968,1067 0.57,1068 20.027,1069 9.593,1070 3.318,1071 -0.549,1072 18.095,1073 -0.935,1074 11.109,1075 14.376,1076 0.125,1077 22.368,1078 10.531,1079 2.833,1080 11.761,1081 19.962,1082 -1.369,1083 12.329,1084 15.994,1085 0.438,1086 24.835,1087 11.692,1088 2.712,1089 9.513,1090 21.838,1091 4.866,1092 13.435,1093 17.497,1094 0.082,1095 27.238,1096 12.721,1097 2.162,1098 8.895,1099 23.721,1100 3.878,1101 14.625,1102 19.085,1103 0.334,1104 29.693,1105 13.846,1106 1.846,1107 6.683,1108 25.61,1109 3.534,1110 15.773,1111 20.63,1112 0.054,1113 32.125,1114 14.918,1115 1.768,1116 5.408,1117 27.504,1118 2.898,1119 16.955,1120 22.209,1121 0.252,1122 34.579,1123 16.032,1124 1.525,1125 4.561,1126 29.403,1127 2.634,1128 18.124,1129 23.773,1130 0.035,1131 37.026,1132 17.127,1133 6328,1134 10218,1135 20.572,1136 29.693,1137 44.244,1138 44.4,1139 44.251,1140 44.16,1141 44.157,1142 60.084,1143 3.32,1144 128.373,1145 41.235,1146 5.778,1147 5.38,1148 6.739,1149 5.388,1150 5.318,1151 7.866,1152 1.72,1153 19.309,1154 5.096,1156 1.526,1157 1.531,1158 1.526,1159 1.523,1160 1.523,1161 2.072,1162 0.114,1163 4.427,1164 1.422,1165 4.164,1166 4.182,1167 4.397,1168 4.144,1169 5.112,1170 4.108,1171 3.885,1172 3.914,1173 3.849,1174 3.834,1175 4.819,1176 3.824,1177 3.767,1178 3.822,1179 3.668,1180 3.568,1181 4.655,1182 3.585,1183 3.53,1184 3.578,1185 3.479,1186 3.387,1187 4.585,1188 3.389,1189 3.111,1190 3.206,1191 3.312,1192 3.04,1193 4.033,1194 2.997,1195 3.078,1196 3.104,1197 2.869,1198 2.941,1199 3.942,1200 2.91,1201 2.932,1202 2.99,1203 2.866,1204 2.735,1205 3.8,1206 2.74,1207 2.854,1208 2.925,1209 2.773,1210 2.724,1211 3.674,1212 2.715,1213 0.165,1214 0.117,1215 0.239,1216 0.147,1217 0.114,1218 4.778,1219 0.168,1220 3.38,1221 0.03,1222 6.937,1223 0.406,1224 4.251,1225 0.107,1226 3.318,1227 4.866,1228 0.86,1229 11.761,1230 3.096,1231 1.96,1232 1.932,1233 2.041,1234 2.077,1235 1.221,1236 2.064,1237 1.854,1238 1.828,1239 1.95,1240 1.944,1241 1.102,1242 1.951,1243 1.76,1244 1.725,1245 1.91,1246 1.94,1247 1.035,1248 1.943,1249 1.557,1250 1.522,1251 1.608,1252 1.711,1253 0.825,1254 1.712,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.81,1260 1.429,1261 1.027,1262 1.015,1263 1.181,1264 1.142,1265 0.3,1266 1.149,1267 0.944,1268 0.905,1269 1.124,1270 1.08,1271 0.241,1272 1.107,1273 0.886,1274 0.821,1275 1.102,1276 1.062,1277 0.221,1278 1.096,1279 4.078,1281 5.407,1282 2.398,1283 6.956,1284 4.844,1285 8.6,1286 7.066,1287 10.295,1295 3.161,1297 5.513,1300 2.301,1305 28.148,1306 66.949,1307 143.253,1308 173.253,1309 188.905,1310 191.66,1311 191.66,1312 26.362,1313 7.848,1314 51.14,1315 79.38,1316 29,1317 12.749,1318 4.459,1319 3.524,1320 31.718,1321 77,1322 75,1323 0.208,1324 172.016,1325 279.4,1326 411.478,1327 25835,1329 16.64,1330 0.666,1331 0.575,1332 16.993,1333 14.369,1334 12.399,1335 0.428,1336 0.316,1337 8.292,1338 11.548,1339 8.082,1340 6.611,1341 12.807,1342 9.15,1343 10.963,1344 0.267,1345 0.17,1346 11.579,1347 6.971,1348 9.914,1349 0.168,1350 0.093,1351 10.758,1352 5.514,1353 8.841,1354 0.105,1355 0.051,1356 9.836,1357 4.27,1358 7.766,1359 0.067,1360 0.027,1361 8.753,1362 3.1,1363 0.311,1364 81.322,1365 0.22,1366 23.535,1367 0.626,1368 140,1369 381.176,1370 177.412,1371 390.874,1372 555.05,1373 372,1374 170,1375 406.295,1376 208.482,1377 427.313,1378 640.72,1379 405,1380 5.77}
{0 CHEMBL230778,1 1.567,2 7.96,3 4.55,4 20.706,5 100.075,6 8.273,7 0.724,8 3.87,9 3.967,10 3.6,11 3.528,12 4.918,13 3.484,14 4.411,15 4.555,16 3.997,17 3.94,18 5.423,19 3.873,20 4.616,21 4.807,22 4.081,23 4.029,24 5.562,25 3.938,26 4.57,27 4.774,28 3.981,29 3.985,30 5.51,31 3.881,32 4.514,33 4.698,34 3.967,35 3.978,36 5.483,37 3.882,38 4.531,39 4.684,40 3.986,41 4.027,42 5.499,43 3.937,44 4.583,45 4.751,46 3.824,47 4.036,48 5.517,49 3.909,50 4.66,51 4.892,52 3.501,53 3.938,54 5.472,55 3.743,56 0.007,57 0.593,58 7.615,59 3.82,60 5.007,61 4.59,62 0.184,63 1.051,64 15.999,65 6.741,66 16.113,67 7.735,68 0.263,69 1.314,70 24.092,71 8.687,72 21.085,73 10.567,74 0.171,75 1.289,76 22.712,77 8.509,78 20.699,79 10.281,80 0.209,81 1.219,82 23.546,83 8.395,84 21.365,85 9.548,86 0.171,87 1.22,88 21.469,89 8.011,90 15.084,91 8.927,92 0.163,93 1.194,94 19.785,95 8.636,96 18.164,97 10.633,98 0.086,99 1.208,100 24.659,101 10.871,102 23.174,103 14.283,105 41,106 0.269,107 0.562,108 0.672,109 0.773,110 0.812,111 0.812,112 3.269,113 0.961,114 -5.08,115 -4.98,116 -4.66,119 47.6,125 4,142 9,143 2,146 1,147 1,149 1,152 2,172 10,174 2,175 3,183 12,186 1,187 8,195 7,198 1,199 9,207 2,211 1,212 9,220 4,224 7,232 8,236 1,237 3,245 10,250 4,258 8,263 4,271 4,275 805,276 17.706,277 17.706,278 17.706,279 17.706,280 17.706,281 15.388,282 10.455,283 10.665,284 18.228,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 10.884,291 14.862,292 5.132,293 15.292,294 3.826,295 2.12,296 1.479,297 0.895,298 0.667,299 0.667,300 3.99,304 1,305 1,306 452,307 2,310 34.898,311 214.421,314 140.192,318 1.011,319 13.861,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 199,332 4.778,333 3.38,334 6.937,335 4.255,336 3.318,337 4.866,338 0.86,339 11.761,340 3.107,341 4.216,342 2.973,343 6.305,344 3.79,345 2.833,346 3.878,347 0.8,348 9.513,349 2.722,350 4.001,351 2.782,352 6.099,353 3.661,354 2.712,355 3.534,357 8.895,358 2.56,359 3.516,360 2.37,361 5.452,362 3.108,363 2.162,364 2.898,366 6.683,367 2.035,368 3.279,369 2.07,370 4.943,371 2.77,372 1.846,373 2.634,375 5.408,376 1.727,377 3.17,378 1.803,379 4.507,380 2.722,381 1.768,382 2.375,384 4.561,385 1.649,386 2.917,387 1.713,388 4.201,389 2.445,390 1.525,391 2.07,393 3.663,394 1.394,395 2.66,396 1.42,397 3.621,398 2.244,399 1.312,400 1.723,402 2.915,403 1.206,404 2.62,405 1.256,406 3.583,407 2.108,408 1.141,409 1.669,411 2.722,412 1.099,413 2.5,414 1.148,415 3.51,416 2,417 1,418 1.5,420 2.566,421 1,422 2.28,423 1.088,424 3.247,425 1.952,426 1,427 1.243,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.922,434 1,435 1,436 2.136,437 0.915,438 1.891,439 0.507,440 3.234,441 1.344,442 0.462,443 0.652,445 1.228,446 0.399,447 1.055,448 -0.262,449 2.73,450 0.576,451 -0.349,452 -0.458,454 -0.935,455 -0.318,456 0.857,457 -0.36,458 2.587,459 0.398,460 -0.549,461 -0.697,463 -1.369,464 -0.515,465 12.367,466 0.495,467 0.445,468 0.018,469 35.25,470 1.41,471 18.5,472 0.74,473 16.75,474 0.67,475 19.11,476 0.764,477 24.833,478 0.591,479 22.88,480 0.915,481 6.743,482 0.27,483 5.656,484 0.226,487 0.315,493 0.835,494 1.159,495 0.685,496 0.889,497 0.791,498 0.834,499 1.381,500 0.918,501 0.873,502 0.789,503 1.124,504 0.82,505 1.075,506 1.126,507 0.912,508 0.934,509 0.954,510 0.859,511 0.902,512 1.076,513 1.008,514 0.936,515 1.032,516 0.888,517 1.006,518 1.04,519 1.281,520 1.057,521 1.033,522 0.874,523 1.196,524 1.124,525 1.339,526 1.211,527 1.142,528 1.098,529 0.917,530 1.029,531 1.184,532 1.191,533 1.055,534 1.29,535 0.562,536 1.084,537 1.032,538 1.251,539 0.788,540 1.34,541 3,543 2.444,544 1.514,545 1.004,546 1.146,547 0.533,548 0.116,549 0.098,550 0.052,551 6929,552 16733,553 2.277,554 40.5,556 17,564 1.69,565 2.239,566 3,567 -0.79,573 65.797,574 1.567,575 3.272,576 3.913,577 4.497,578 4.726,579 4.726,580 2.263,581 4.244,582 4.615,583 3.125,584 937.507,585 8.033,586 10965.7,588 1,591 226.477,592 0.904,593 4.616,594 0.103,596 0.06,597 0.036,598 0.026,599 0.029,600 0.013,601 0.003,602 0.004,603 0.005,604 0.28,605 0.33,606 0.88,608 116.819,609 0.01,610 -0.155,611 0.084,612 -0.017,613 -0.004,614 0.011,615 -0.091,616 0.129,617 0.032,618 0.128,619 -0.092,620 0.045,621 0.044,622 -0.087,623 0.124,624 0.056,625 0.062,626 0.08,627 -0.032,628 0.01,629 0.035,630 0.05,631 0.002,632 0.051,633 -0.042,634 0.07,635 -0.103,636 0.011,637 0.013,638 0.061,639 -0.205,640 -0.031,641 -0.285,642 -0.21,643 -0.223,644 -0.21,645 -0.087,646 -0.066,647 -0.328,648 -0.27,649 -0.211,650 -0.363,651 0.051,652 -0.249,653 -0.151,654 -0.284,655 -0.016,656 -0.287,657 0.877,658 2.025,659 1,660 18.928,661 0.997,662 1.108,663 3.851,664 14.832,665 0.725,666 3.401,667 3.738,668 4.094,669 4.443,670 4.762,671 4.92,672 5.182,673 5.38,674 5.464,675 5.545,676 5.093,677 0.682,678 347.47,679 3.401,680 4.949,681 5.832,682 6.732,683 7.639,684 8.553,685 9.471,686 10.393,687 11.317,688 12.244,689 7.1,695 1,699 2,703 4,704 9,705 2,708 1,709 3,711 21,726 1,731 42,733 21,734 2,735 29,737 46,738 20,739 16,740 3,741 9,746 5,747 8,761 16,762 4,778 1,781 17,782 4,784 5,785 1,790 3,794 0.6,795 1,806 1,811 1,812 4,815 2,839 1,840 3,842 1,848 25,854 4,856 1,859 1,865 1,870 2.4,874 1,877 11.167,878 7.683,879 5.417,880 2.624,881 4.122,882 1.525,883 1.068,884 3.784,885 11.97,886 3.701,887 4.366,888 5.083,889 5.802,890 6.475,891 6.961,892 7.559,893 8.105,894 8.475,895 8.893,896 0.667,897 42,898 9.24,900 4.002,901 7.46,902 18.187,904 15.533,905 1.96,906 49,909 1,910 200.109,911 144.01,912 36.695,914 11,916 31.278,917 112.733,918 211.109,919 36.695,921 13.396,922 85.286,923 44.571,924 13.355,925 3.82,926 231.386,928 200.109,929 149.428,930 11,931 31.278,933 202.437,935 11,937 15.54,938 97.989,939 33.571,940 31.278,941 200.109,942 47.695,943 144.01,946 200.109,947 58.724,948 88.411,950 44.571,951 200.109,952 47.695,953 144.01,955 0.575,956 0.346,957 0.204,958 0.12,959 23,960 8,961 0.043,962 2,963 2,964 1.16,965 3.728,966 230.173,967 0.16,968 25,969 108.096,970 1,974 15.091,975 6.268,976 2.651,977 4.682,978 47.695,979 18.686,980 9.89,983 1.778,984 2.876,987 391.814,988 39.5,999 41.894,1000 46.531,1001 0.291,1002 0.607,1003 0.726,1004 0.834,1005 0.876,1006 0.876,1007 4.929,1008 1.312,1009 5.802,1010 3.663,1011 4.419,1012 5.053,1013 1.235,1014 6.653,1015 4.301,1016 6.14,1017 1.141,1018 7.371,1019 2.915,1020 3.892,1021 4.856,1022 0.325,1023 7.609,1024 3.711,1025 7.457,1026 1,1027 9.048,1028 2.722,1029 6.028,1030 7.375,1031 0.938,1032 10.792,1033 5.8,1034 8.82,1035 1,1036 10.793,1037 2.566,1038 6.415,1039 8.124,1040 0.268,1041 12.636,1042 6.112,1043 10.224,1044 1,1045 12.582,1046 2.136,1047 7.965,1048 10.063,1049 0.732,1050 15.315,1051 7.621,1052 11.658,1053 0.462,1054 14.401,1055 2.136,1056 8.781,1057 11.261,1058 0.188,1059 17.51,1060 8.358,1061 13.116,1062 -0.349,1063 16.24,1064 1.228,1065 10.093,1066 12.968,1067 0.57,1068 20.027,1069 9.624,1070 3.318,1071 -0.549,1072 18.095,1073 -0.935,1074 11.109,1075 14.376,1076 0.125,1077 22.368,1078 10.561,1079 2.833,1080 11.761,1081 19.962,1082 -1.369,1083 12.329,1084 15.994,1085 0.438,1086 24.835,1087 11.728,1088 2.712,1089 9.513,1090 21.838,1091 4.866,1092 13.435,1093 17.497,1094 0.082,1095 27.238,1096 12.758,1097 2.162,1098 8.895,1099 23.721,1100 3.878,1101 14.625,1102 19.085,1103 0.334,1104 29.693,1105 13.887,1106 1.846,1107 6.683,1108 25.61,1109 3.534,1110 15.773,1111 20.63,1112 0.054,1113 32.125,1114 14.962,1115 1.768,1116 5.408,1117 27.504,1118 2.898,1119 16.955,1120 22.209,1121 0.252,1122 34.579,1123 16.08,1124 1.525,1125 4.561,1126 29.403,1127 2.634,1128 18.124,1129 23.773,1130 0.035,1131 37.026,1132 17.177,1133 6328,1134 9966,1135 20.572,1136 30.449,1137 44.244,1138 44.4,1139 44.251,1140 44.167,1141 44.157,1142 60.084,1143 3.32,1144 128.373,1145 41.518,1146 5.778,1147 5.38,1148 6.739,1149 5.385,1150 5.318,1151 7.866,1152 1.72,1153 19.309,1154 5.107,1156 1.526,1157 1.531,1158 1.526,1159 1.523,1160 1.523,1161 2.072,1162 0.114,1163 4.427,1164 1.432,1165 4.174,1166 4.188,1167 4.402,1168 4.174,1169 5.081,1170 4.132,1171 3.89,1172 3.917,1173 3.85,1174 3.839,1175 4.756,1176 3.831,1177 3.771,1178 3.824,1179 3.672,1180 3.587,1181 4.636,1182 3.6,1183 3.547,1184 3.59,1185 3.492,1186 3.415,1187 4.561,1188 3.413,1189 3.111,1190 3.206,1191 3.312,1192 3.044,1193 4.006,1194 2.997,1195 3.078,1196 3.104,1197 2.888,1198 2.941,1199 3.942,1200 2.91,1201 2.953,1202 3.007,1203 2.866,1204 2.834,1205 3.681,1206 2.817,1207 2.863,1208 2.925,1209 2.788,1210 2.735,1211 3.674,1212 2.715,1213 0.165,1214 0.117,1215 0.239,1216 0.147,1217 0.114,1218 4.778,1219 0.168,1220 3.38,1221 0.03,1222 6.937,1223 0.406,1224 4.255,1225 0.107,1226 3.318,1227 4.866,1228 0.86,1229 11.761,1230 3.107,1231 1.972,1232 1.947,1233 2.051,1234 2.079,1235 1.223,1236 2.067,1237 1.894,1238 1.874,1239 1.991,1240 1.956,1241 1.151,1242 1.976,1243 1.77,1244 1.738,1245 1.922,1246 1.942,1247 1.081,1248 1.946,1249 1.569,1250 1.532,1251 1.632,1252 1.718,1253 0.851,1254 1.722,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.036,1262 1.02,1263 1.181,1264 1.144,1265 0.301,1266 1.156,1267 0.959,1268 0.922,1269 1.165,1270 1.112,1271 0.265,1272 1.134,1273 0.886,1274 0.821,1275 1.109,1276 1.062,1277 0.231,1278 1.107,1279 4.078,1281 5.407,1282 2.398,1283 6.956,1284 4.844,1285 8.6,1286 7.066,1287 10.295,1295 3.233,1297 5.525,1300 2.329,1305 28.654,1306 65.797,1307 137.419,1308 164.338,1309 188.868,1310 198.477,1311 198.477,1312 25.959,1313 7.848,1314 38.25,1315 66.49,1316 29,1317 12.749,1318 4.459,1319 3.524,1320 31.718,1321 77,1322 75,1323 0.208,1324 174.814,1325 285.7,1326 418.306,1327 25835,1329 16.64,1330 0.666,1331 0.58,1332 16.993,1333 14.499,1334 12.399,1335 0.428,1336 0.32,1337 8.448,1338 11.604,1339 8.224,1340 6.732,1341 12.807,1342 9.291,1343 10.963,1344 0.267,1345 0.175,1346 11.579,1347 7.164,1348 9.914,1349 0.168,1350 0.097,1351 10.758,1352 5.7,1353 8.841,1354 0.105,1355 0.053,1356 9.836,1357 4.442,1358 7.766,1359 0.067,1360 0.028,1361 8.753,1362 3.264,1363 0.311,1364 80.868,1365 0.22,1366 23.535,1367 0.626,1368 140,1369 361.531,1370 175.135,1371 373.626,1372 532.61,1373 356,1374 170,1375 389.83,1376 206.65,1377 411.761,1378 617.54,1379 391,1380 4.523}
{0 CHEMBL2309006,1 1.547,2 7.727,3 3.097,4 9.588,5 120.91,6 8.139,7 0.6,8 4.166,9 4.257,10 3.825,11 3.754,12 5.256,13 3.76,14 4.761,15 4.88,16 4.355,17 4.261,18 5.837,19 4.266,20 5.105,21 5.244,22 4.581,23 4.502,24 6.247,25 4.5,26 5.272,27 5.421,28 4.66,29 4.645,30 6.369,31 4.624,32 5.354,33 5.532,34 4.675,35 4.696,36 6.412,37 4.657,38 5.343,39 5.511,40 4.583,41 4.661,42 6.447,43 4.604,44 5.32,45 5.527,46 4.257,47 4.47,48 6.426,49 4.363,50 5.075,51 5.343,52 3.604,53 4.018,54 6.113,55 3.844,56 0.099,57 0.784,58 9.631,59 4.91,60 17.601,61 5.507,62 0.341,63 1.418,64 19.436,65 8.823,66 35.052,67 10.31,68 0.718,69 1.945,70 30.363,71 12.462,72 77.919,73 14.241,74 0.757,75 2.287,76 36.384,77 14.993,78 73.412,79 17.333,80 0.663,81 2.483,82 41.505,83 17.22,84 56.009,85 21.179,86 0.509,87 2.417,88 39.468,89 17.223,90 55.808,91 20.833,92 0.759,93 2.258,94 43.8,95 17.535,96 98.068,97 21.867,98 0.716,99 1.704,100 40.317,101 14.344,102 102.389,103 18.88,104 18,105 67,106 0.249,107 0.619,108 0.763,109 0.835,110 0.859,111 0.883,112 3.535,113 0.847,114 -3.29,115 -3.28,116 -3.14,119 48.1,120 1,121 1,125 2,128 1,130 1,131 1,142 8,143 6,152 4,158 1,172 13,174 2,175 11,178 1,180 3,183 14,186 1,187 11,190 2,191 1,192 4,195 14,199 15,202 3,204 3,207 16,211 1,212 12,215 3,217 5,220 21,223 1,224 9,229 13,232 18,236 1,237 4,240 1,242 14,245 11,250 2,254 1,255 5,258 9,266 1,267 1,268 1,271 4,275 1301,276 22.786,277 22.786,278 22.786,279 22.786,280 22.786,281 20.109,282 22.317,283 12.437,284 23.145,285 19.686,286 19.686,287 19.686,288 19.686,289 19.686,290 15.274,291 33.429,292 5.793,293 20.376,294 4.207,295 1.911,296 1.014,297 0.57,298 0.421,299 0.273,300 4.275,304 1,305 1,306 598,307 3.742,310 107.303,311 102.591,312 33.756,313 42.206,314 238.345,315 98.475,316 169.706,317 368.985,318 1.025,319 40.781,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71.5,331 255,332 5.167,333 4.216,334 8.578,335 4.888,336 3.95,337 5.287,338 1.157,339 17.076,340 3.709,341 4.839,342 3.743,343 7.514,344 4.519,345 3.541,346 4.711,347 1.081,348 13.895,349 3.461,350 4.621,351 3.401,352 7.068,353 4.173,354 3.205,355 4.017,356 0.473,357 12.128,358 3.106,359 4.243,360 3.28,361 6.721,362 3.89,363 2.912,364 3.728,365 0.297,366 10.751,367 2.842,368 3.864,369 2.802,370 6.325,371 3.386,372 2.428,373 3.484,375 9.099,376 2.344,377 3.687,378 2.622,379 6.05,380 3.362,381 2.392,382 3.086,384 8.432,385 2.292,386 3.523,387 2.507,388 5.903,389 3.181,390 2.232,391 2.849,393 7.831,394 2.111,395 3.4,396 2.32,397 5.647,398 3.021,399 2.037,400 2.668,402 6.962,403 1.991,404 3.066,405 1.989,406 5.228,407 2.707,408 1.742,409 2.168,411 5.578,412 1.667,413 2.886,414 1.703,415 4.884,416 2.433,417 1.453,418 2.04,420 4.482,421 1.422,422 2.863,423 1.513,424 4.715,425 2.419,426 1.433,427 1.976,428 4.192,429 1.405,430 2.817,431 1.399,432 4.075,433 2.379,434 1.381,435 1.922,436 3.037,437 1.376,438 2.631,439 1.286,440 3.877,441 2.175,442 1.19,443 1.676,445 2.904,446 1.17,447 2.223,448 1.147,449 3.713,450 1.925,451 0.966,452 1.163,454 2.683,455 0.923,456 2.062,457 1.134,458 3.63,459 1.632,460 0.655,461 0.887,463 1.776,464 0.637,465 15.533,466 0.471,467 1.119,468 0.034,469 42.75,470 1.295,471 19.5,472 0.591,473 23.25,474 0.705,475 34.432,476 1.043,477 33.667,478 0.623,479 36.631,480 1.11,481 8.087,482 0.245,483 7.896,484 0.239,485 0.097,486 0.064,487 0.438,493 0.873,494 1.118,495 0.699,496 0.879,497 0.808,498 0.775,499 0.825,500 1.051,501 0.693,502 0.845,503 0.691,504 0.759,505 1.093,506 0.987,507 0.858,508 0.84,509 0.862,510 0.806,511 1.119,512 1.032,513 0.986,514 0.932,515 0.985,516 0.929,517 0.889,518 0.944,519 0.887,520 0.946,521 0.753,522 0.918,523 0.949,524 1.184,525 1.091,526 1.231,527 0.858,528 1.195,529 1.025,530 1.148,531 1.246,532 1.279,533 1.134,534 1.305,535 1.099,536 0.946,537 1.221,538 1.106,539 1.371,540 1.179,541 6,543 5.333,544 5.167,545 3.731,546 2.737,547 2.031,548 0.847,549 0.293,550 0.06,551 12383,552 30965,553 2.278,554 38.9,556 12,557 1,559 3,562 3,563 2,564 1.769,565 2.106,566 2.893,567 0.802,569 1,573 83.559,574 1.547,575 3.843,576 4.741,577 5.185,578 5.334,579 5.482,580 2.28,581 4.681,582 5.021,583 2.988,584 1577.92,585 8.884,586 20584.4,588 1,591 310.764,592 1.668,593 4.965,594 0.15,596 0.08,597 0.063,598 0.042,599 0.031,600 0.026,601 0.017,602 0.013,603 0.007,604 0.428,605 0.5,606 0.88,607 0.675,608 162.632,609 -0.104,610 -0.042,611 0.043,612 0.07,613 -0.137,614 0.081,615 0.047,616 0.028,617 0.121,618 0.097,619 -0.033,620 0.114,621 0.007,622 0.063,623 0.036,624 0.103,625 0.026,626 0.081,627 -0.077,628 0.006,629 -0.084,630 0.019,631 -0.078,632 -0.024,633 -0.006,634 0.069,635 0.045,636 0.027,637 0.009,638 0.043,639 -0.066,640 -0.193,641 -0.176,642 -0.255,643 -0.005,644 -0.238,645 -0.033,646 -0.213,647 -0.226,648 -0.282,649 -0.023,650 -0.29,651 -0.063,652 -0.06,653 -0.069,654 -0.083,655 -0.09,656 -0.079,657 2.727,658 6.164,659 0.848,660 22.498,661 1.011,662 1.112,663 2.064,664 4.261,665 0.698,666 3.714,667 4.22,668 4.718,669 5.204,670 5.635,671 6.038,672 6.441,673 6.798,674 7.076,675 7.337,676 4.824,677 0.679,678 439.5,679 3.714,680 5.371,681 6.347,682 7.349,683 8.351,684 9.363,685 10.374,686 11.39,687 12.405,688 13.422,689 5.6,696 1,697 2,703 8,704 8,709 2,710 2,711 24,718 1,731 54,733 25,734 3,735 40,737 61,738 26,739 18,740 10,741 8,742 1,746 8,747 80,752 2,755 2,756 1,758 2,761 19,762 7,763 1,766 1,771 1,775 1,778 1,781 21,782 5,783 3,784 7,790 3,794 0.125,795 4,796 1,798 1,801 1,807 2,811 4,812 3,813 1,814 1,815 5,816 2,817 3,818 6,838 2,839 1,840 1,844 1,848 33,853 2,854 3,855 1,856 1,858 1,860 2,870 7.4,871 2,873 1,874 1,877 15.667,878 10.133,879 6.715,880 3.335,881 5.324,882 1.509,883 1.053,884 3.14,885 15.789,886 3.989,887 4.779,888 5.608,889 6.449,890 7.231,891 7.937,892 8.655,893 9.327,894 9.884,895 10.444,896 1,897 82,898 12.431,900 6.082,901 7.732,902 23.765,904 22.398,905 2.232,906 73.667,909 1,910 211.88,911 119.22,912 21.809,914 121.512,917 119.22,918 333.391,919 21.809,920 8.825,921 22.651,922 161.177,923 40.849,924 20.461,925 20.348,926 200.109,928 211.88,929 141.029,930 121.512,933 176.567,934 60.458,935 96.367,937 35.274,938 105.754,941 211.88,942 143.32,943 119.22,946 211.88,947 34.584,948 88.433,949 18.011,950 121.512,951 211.88,952 143.32,953 119.22,955 0.617,956 0.402,957 0.244,958 0.147,959 44,960 18,961 0.016,962 1,963 10,964 1.607,965 3.91,966 416.917,967 0.714,968 25,969 166.465,974 18.522,975 5.594,976 1.829,977 7.694,978 139.522,979 16.104,984 1.713,985 4.203,986 103.377,987 474.42,988 53,993 13.164,997 -0.056,999 54.567,1000 60.069,1001 0.269,1002 0.668,1003 0.824,1004 0.901,1005 0.927,1006 0.953,1007 5.338,1008 2.037,1009 6.435,1010 7.831,1011 4.905,1012 5.468,1013 1.893,1014 7.505,1015 4.834,1016 6.64,1017 1.742,1018 8.157,1019 6.962,1020 4.89,1021 5.645,1023 9.032,1024 4.765,1025 8.052,1026 1.453,1027 9.995,1028 5.578,1029 6.792,1030 7.938,1031 2.006,1032 12.272,1033 6.638,1034 9.507,1035 1.433,1036 11.906,1037 4.482,1038 7.611,1039 8.954,1041 14.629,1042 7.394,1043 10.999,1044 1.381,1045 13.864,1046 4.192,1047 9.076,1048 10.788,1049 2.199,1050 17.511,1051 8.823,1052 12.517,1053 1.19,1054 15.858,1055 3.037,1056 10.22,1057 12.165,1059 20.164,1060 9.902,1061 14.056,1062 0.966,1063 17.879,1064 2.904,1065 11.571,1066 13.851,1067 2.413,1068 22.975,1069 11.207,1070 3.95,1071 0.655,1072 19.921,1073 2.683,1074 12.835,1075 15.382,1077 25.733,1078 12.408,1079 3.541,1080 17.076,1081 21.98,1082 1.776,1083 14.165,1084 17.027,1085 2.637,1086 28.541,1087 13.683,1088 3.205,1089 13.895,1090 24.055,1091 5.287,1092 15.476,1093 18.622,1095 31.338,1096 14.93,1097 2.912,1098 12.128,1099 26.141,1100 4.711,1101 16.81,1102 20.26,1103 2.87,1104 34.154,1105 16.204,1106 2.428,1107 10.751,1108 28.237,1109 4.017,1110 18.142,1111 21.884,1113 36.969,1114 17.471,1115 2.392,1116 9.099,1117 30.342,1118 3.728,1119 19.483,1120 23.524,1121 3.109,1122 39.792,1123 18.749,1124 2.232,1125 8.432,1126 32.453,1127 3.484,1128 20.827,1129 25.162,1131 42.616,1132 20.028,1133 11023,1134 17519,1135 27.164,1136 37.688,1137 65.351,1138 66.741,1139 68.402,1140 64.967,1141 65.008,1142 85.638,1143 6.016,1144 225.989,1145 62.704,1146 6.094,1147 6.216,1148 8.256,1149 6.014,1150 5.95,1151 8.287,1152 2.315,1153 26.593,1154 5.709,1155 14.183,1156 1.634,1157 1.669,1158 1.71,1159 1.624,1160 1.625,1161 2.141,1162 0.15,1163 5.65,1164 1.568,1165 4.369,1166 4.392,1167 4.355,1168 4.288,1169 7.429,1170 4.301,1171 4.016,1172 4.043,1173 3.984,1174 3.951,1175 6.497,1176 3.956,1177 3.851,1178 3.874,1179 3.791,1180 3.698,1181 6.402,1182 3.716,1183 3.722,1184 3.756,1185 3.654,1186 3.622,1187 5.083,1188 3.623,1189 3.447,1190 3.491,1191 3.371,1192 3.277,1193 4.809,1194 3.296,1195 3.307,1196 3.372,1197 3.208,1198 3.166,1199 4.562,1200 3.169,1201 3.179,1202 3.234,1203 3.026,1204 2.976,1205 4.426,1206 2.964,1207 3.08,1208 3.134,1209 2.958,1210 2.902,1211 4.082,1212 2.916,1213 0.129,1214 0.105,1215 0.214,1216 0.122,1217 0.099,1218 5.167,1219 0.132,1220 4.216,1221 0.029,1222 8.578,1223 0.427,1224 4.888,1225 0.093,1226 3.95,1227 5.287,1228 1.157,1229 17.076,1230 3.709,1231 2.037,1232 2.029,1233 2.08,1234 2.081,1235 1.367,1236 2.073,1237 1.937,1238 1.914,1239 2.027,1240 2.047,1241 1.279,1242 2.042,1243 1.917,1244 1.883,1245 1.995,1246 2.024,1247 1.176,1248 2.024,1249 1.622,1250 1.593,1251 1.788,1252 1.791,1253 1.021,1254 1.786,1255 1.473,1256 1.427,1257 1.678,1258 1.704,1259 0.907,1260 1.694,1261 1.351,1262 1.294,1263 1.567,1264 1.637,1265 0.755,1266 1.615,1267 1.218,1268 1.181,1269 1.427,1270 1.442,1271 0.568,1272 1.438,1273 1.039,1274 0.982,1275 1.271,1276 1.275,1277 0.422,1278 1.287,1279 4.394,1281 5.855,1282 3.714,1283 7.523,1284 6.304,1285 9.29,1286 8.608,1287 11.114,1289 1.867,1294 22.117,1295 0.278,1296 3.05,1297 6.686,1299 -0.487,1301 -2.667,1305 36.665,1306 83.559,1307 207.545,1308 256.009,1309 280.009,1310 288.009,1311 296.009,1312 56.6,1313 10.465,1314 88.65,1315 88.65,1316 45,1317 13.871,1318 4.7,1319 3.807,1320 36.592,1321 101,1322 91,1323 0.195,1324 208.118,1325 346.74,1326 499.568,1327 536347,1329 22.275,1330 0.675,1331 0.543,1332 22.275,1333 17.923,1334 15.983,1335 0.4,1336 0.282,1337 11.14,1338 15.441,1339 10.929,1340 8.821,1341 15.983,1342 11.287,1343 15.933,1344 0.238,1345 0.144,1346 15.933,1347 9.672,1348 15.77,1349 0.142,1350 0.074,1351 15.77,1352 8.234,1353 15.019,1354 0.083,1355 0.037,1356 15.019,1357 6.732,1358 13.834,1359 0.05,1360 0.019,1361 13.834,1362 5.24,1363 0.28,1364 99.877,1365 0.192,1366 28.323,1367 0.639,1368 214,1369 539.394,1370 233.73,1371 518.616,1372 746.46,1373 490,1374 285,1375 587.334,1376 307.921,1377 590.154,1378 917.05,1379 563,1380 5.26}
{0 CHEMBL2309609,1 1.495,2 10.884,3 5.28,4 27.873,5 161.613,6 7.818,7 0.588,8 4.432,9 4.533,10 4.067,11 4.023,12 5.496,13 4.016,14 5.025,15 5.167,16 4.544,17 4.493,18 6.056,19 4.483,20 5.333,21 5.485,22 4.773,23 4.738,24 6.359,25 4.721,26 5.534,27 5.691,28 4.914,29 4.904,30 6.564,31 4.88,32 5.692,33 5.865,34 4.973,35 5.013,36 6.721,37 4.969,38 5.784,39 5.982,40 4.947,41 5.063,42 6.789,43 4.989,44 5.803,45 6.024,46 4.802,47 5.003,48 6.787,49 4.902,50 5.655,51 5.887,52 4.571,53 4.828,54 6.63,55 4.71,56 0.025,57 1.045,58 13.58,59 6.639,60 11.439,61 8.089,62 0.432,63 1.864,64 28.35,65 11.59,66 33.192,67 14.33,68 0.591,69 2.488,70 40.031,71 16.026,72 47.117,73 19.605,74 0.59,75 3.015,76 49.661,77 19.899,78 68.572,79 24.119,80 0.87,81 3.522,82 59.91,83 23.293,84 83.434,85 28.77,86 0.845,87 3.793,88 68.123,89 27.096,90 96.013,91 34.924,92 0.914,93 3.759,94 73.598,95 28.599,96 122.862,97 37.189,98 0.723,99 3.236,100 64.383,101 24.864,102 97.084,103 32.687,104 27,105 81,106 0.226,107 0.55,108 0.729,109 0.82,110 0.857,111 0.873,112 3.789,113 0.868,114 -4.65,115 -4.57,116 -4.3,119 47.9,120 1,121 1,124 2,125 1,127 2,128 1,131 1,142 13,143 7,152 4,158 2,172 19,174 3,175 14,178 1,180 2,183 20,186 4,187 16,192 2,195 16,198 3,199 22,204 2,207 18,211 3,212 18,215 2,217 2,220 21,223 4,224 25,229 4,232 21,236 1,237 22,240 1,242 4,245 15,250 19,253 1,258 18,262 2,263 10,266 1,271 23,275 2814,276 29.799,277 29.799,278 29.799,279 29.799,280 29.799,281 26.304,282 30.079,283 16.787,284 30.356,285 25.135,286 25.135,287 25.135,288 25.135,289 25.135,290 19.497,291 44.101,292 7.85,293 25.984,294 4.695,295 2.551,296 1.37,297 0.766,298 0.524,299 0.415,300 4.529,305 1,306 1091,307 4.301,310 117.954,311 292.693,312 48.012,314 428.391,315 142.616,316 80.078,317 647.113,318 1.484,319 43.775,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 92,331 468,332 5.131,333 4.04,334 8.023,335 4.733,336 3.789,337 5.285,338 1.2,339 15.525,340 3.603,341 4.749,342 3.739,343 7.445,344 4.427,345 3.461,346 4.71,347 1.157,348 13.614,349 3.318,350 4.521,351 3.685,352 6.996,353 4.161,354 3.195,355 3.954,356 1.081,357 11.917,358 3.089,359 4.265,360 3.376,361 6.686,362 3.971,363 2.997,364 3.728,365 0.86,366 10.657,367 2.92,368 4.164,369 3.251,370 6.556,371 3.829,372 2.846,373 3.608,374 0.473,375 10.109,376 2.791,377 3.861,378 2.781,379 6.122,380 3.474,381 2.503,382 3.413,383 0.297,384 8.641,385 2.417,386 3.73,387 2.684,388 6.05,389 3.375,390 2.4,391 3.062,392 0.293,393 8.415,394 2.342,395 3.548,396 2.551,397 5.872,398 3.227,399 2.274,400 2.88,402 7.822,403 2.15,404 3.515,405 2.334,406 5.689,407 3.078,408 2.086,409 2.804,411 7.135,412 2.064,413 3.28,414 2.204,415 5.368,416 2.851,417 1.875,418 2.536,420 5.862,421 1.827,422 3.078,423 2.048,424 5.049,425 2.695,426 1.723,427 2.206,428 5.157,429 1.668,430 2.934,431 1.976,432 4.776,433 2.538,434 1.575,435 2.1,436 4.576,437 1.508,438 2.867,439 1.705,440 4.719,441 2.429,442 1.436,443 1.998,445 4.263,446 1.419,447 2.856,448 1.522,449 4.126,450 2.38,451 1.381,452 1.96,454 3.115,455 1.378,456 2.677,457 1.399,458 4.035,459 2.291,460 1.334,461 1.735,463 3.029,464 1.269,465 20.433,466 0.475,467 1.252,468 0.029,469 56.75,470 1.32,471 27,472 0.628,473 29.75,474 0.692,475 48.198,476 1.121,477 43.767,478 0.6,479 54.516,480 1.268,481 11.085,482 0.258,483 9.85,484 0.229,485 0.106,486 0.024,487 0.45,493 0.753,494 1.239,495 0.699,496 0.997,497 0.577,498 0.863,499 0.972,500 0.994,501 0.77,502 0.8,503 0.617,504 0.757,505 1.129,506 1.017,507 0.863,508 0.884,509 0.809,510 0.836,511 1.278,512 1.087,513 0.951,514 0.968,515 1.15,516 0.918,517 1.218,518 1.054,519 1.055,520 1.012,521 0.954,522 1.003,523 0.979,524 1.088,525 1.037,526 1.082,527 0.821,528 1.069,529 1.065,530 1.038,531 1.087,532 1.073,533 1.104,534 1.084,535 1.045,536 1.016,537 1.122,538 1.093,539 1.017,540 1.115,541 6.5,542 0.252,543 5.778,544 5.528,545 4.473,546 3.053,547 2.468,548 1.458,549 0.89,550 0.532,551 26543,552 63347,553 2.243,554 41.1,556 23,557 1,559 1,562 3,563 2,564 1.829,565 2.089,566 3.324,567 -0.438,573 109.126,574 1.495,575 3.639,576 4.82,577 5.424,578 5.666,579 5.775,580 2.751,581 5.101,582 5.395,583 3.484,584 3146.34,585 9.625,586 49138.1,591 451.857,592 1.534,593 5.355,594 0.127,595 0.006,596 0.071,597 0.055,598 0.039,599 0.026,600 0.022,601 0.015,602 0.012,603 0.009,604 0.384,605 0.33,606 0.75,607 0.613,608 234.301,609 -0.021,610 -0.151,611 0.081,612 -0.038,613 -0.053,614 0.023,615 0.058,616 0.098,617 0.112,618 0.141,619 0.011,620 0.134,621 0.013,622 0.047,623 0.054,624 0.064,625 -0.004,626 0.066,627 -0.099,628 -0.041,629 -0.018,630 -0.015,631 -0.088,632 -0.008,633 -0.056,634 -0.008,635 -0.101,636 -0.061,637 -0.031,638 -0.082,639 0.012,640 -0.087,641 -0.067,642 -0.104,643 0.032,644 -0.098,645 -0.039,646 -0.079,647 -0.072,648 -0.078,649 -0.027,650 -0.08,651 -0.071,652 -0.062,653 -0.098,654 -0.095,655 -0.036,656 -0.098,657 2.23,658 6.883,659 0.814,660 41.589,661 1.003,662 1.113,663 3.423,664 11.715,665 0.695,666 3.951,667 4.407,668 4.875,669 5.342,670 5.759,671 6.131,672 6.525,673 6.891,674 7.185,675 7.475,676 6.34,677 0.668,678 570.69,679 3.951,680 5.58,681 6.532,682 7.509,683 8.488,684 9.48,685 10.471,686 11.471,687 12.47,688 13.474,689 5.5,696 2,697 2,703 8,704 13,709 3,710 2,711 30,718 1,719 1,731 73,733 32,734 4,735 51,737 81,738 35,739 24,740 11,741 13,742 2,746 9,747 81,752 1,755 4,758 4,761 26,762 9,766 2,771 2,775 2,781 30,782 6,783 1,784 8,790 4,794 0.222,795 4,807 2,811 3,812 5,813 1,815 6,816 2,817 1,818 7,839 2,840 2,844 3,848 43,854 2,855 1,856 2,858 3,859 1,860 1,870 5.5,873 2,874 2,877 20.583,878 14.35,879 9.014,880 4.487,881 6.057,882 1.543,883 1.076,884 5.202,885 17.206,886 4.234,887 4.966,888 5.754,889 6.552,890 7.305,891 7.968,892 8.673,893 9.34,894 9.897,895 10.463,896 0.75,897 100,898 16.107,900 7.503,901 7.626,902 31.088,904 28.16,905 2.126,906 91.417,910 341.362,911 193.771,912 24.933,914 72.29,917 193.771,918 413.652,919 24.933,920 28.105,921 25.775,922 123.191,923 81.699,924 23.647,925 20.348,926 329.591,928 341.362,929 218.704,930 72.29,933 306.049,934 85.603,935 22,937 38.399,938 180.305,941 341.362,942 97.223,943 193.771,946 341.362,947 42.475,948 158.218,949 18.011,950 72.29,951 341.362,952 97.223,953 193.771,955 0.602,956 0.387,957 0.237,958 0.141,959 49,960 21,961 0.037,962 3,963 10,964 1.486,965 4.618,966 578.002,967 0.571,968 32,969 227.329,974 25.494,975 8.774,976 3.102,977 8.149,978 93.425,979 25.993,984 2.401,985 4.568,986 18.011,987 632.355,988 68,993 27.424,997 -0.107,999 73.203,1000 81.228,1001 0.242,1002 0.588,1003 0.779,1004 0.876,1005 0.915,1006 0.933,1007 5.551,1008 2.274,1009 6.583,1010 8.415,1011 5.094,1012 5.656,1013 2.398,1014 7.595,1015 5.028,1016 6.818,1017 2.086,1018 8.263,1019 7.822,1020 4.934,1021 5.712,1022 0.325,1023 8.936,1024 4.821,1025 8.196,1026 1.875,1027 10.052,1028 7.135,1029 6.891,1030 8.054,1031 2.49,1032 12.174,1033 6.748,1034 9.616,1035 1.723,1036 11.907,1037 5.862,1038 7.586,1039 8.993,1040 0.653,1041 14.362,1042 7.385,1043 11.075,1044 1.575,1045 13.806,1046 5.157,1047 9.055,1048 10.847,1049 2.676,1050 17.185,1051 8.823,1052 12.563,1053 1.436,1054 15.736,1055 4.576,1056 10.105,1057 12.183,1058 1.001,1059 19.696,1060 9.813,1061 14.073,1062 1.381,1063 17.688,1064 4.263,1065 11.427,1066 13.876,1067 2.896,1068 22.418,1069 11.095,1070 3.789,1071 1.334,1072 19.658,1073 3.115,1074 12.619,1075 15.388,1076 1.37,1077 25.051,1078 12.23,1079 3.461,1080 15.525,1081 21.642,1082 3.029,1083 13.905,1084 17.034,1085 3.137,1086 27.756,1087 13.47,1088 3.195,1089 13.614,1090 23.639,1091 5.285,1092 15.157,1093 18.621,1094 1.754,1095 30.439,1096 14.666,1097 2.997,1098 11.917,1099 25.646,1100 4.71,1101 16.441,1102 20.258,1103 3.394,1104 33.148,1105 15.901,1106 2.846,1107 10.657,1108 27.662,1109 3.954,1110 17.719,1111 21.879,1112 2.143,1113 35.854,1114 17.125,1115 2.503,1116 10.109,1117 29.686,1118 3.728,1119 19.011,1120 23.519,1121 3.662,1122 38.57,1123 18.365,1124 2.4,1125 8.641,1126 31.717,1127 3.608,1128 20.304,1129 25.156,1130 2.535,1131 41.288,1132 19.604,1133 23670,1134 36698,1135 34.737,1136 50.739,1137 81.873,1138 83.792,1139 85.013,1140 81.12,1141 81.073,1142 106.902,1143 10.722,1144 267.411,1145 78.481,1146 6.131,1147 6.04,1148 7.825,1149 5.865,1150 5.789,1151 8.285,1152 2.357,1153 24.412,1154 5.603,1155 18.973,1156 1.605,1157 1.643,1158 1.667,1159 1.591,1160 1.59,1161 2.096,1162 0.21,1163 5.243,1164 1.539,1165 4.367,1166 4.39,1167 4.352,1168 4.287,1169 7.431,1170 4.3,1171 4.019,1172 4.046,1173 3.986,1174 3.953,1175 7.426,1176 3.957,1177 3.943,1178 3.972,1179 3.885,1180 3.858,1181 5.093,1182 3.858,1183 3.829,1184 3.86,1185 3.762,1186 3.687,1187 4.812,1188 3.7,1189 3.725,1190 3.762,1191 3.657,1192 3.623,1193 4.73,1194 3.624,1195 3.508,1196 3.564,1197 3.429,1198 3.322,1199 4.687,1200 3.343,1201 3.411,1202 3.467,1203 3.307,1204 3.234,1205 4.465,1206 3.24,1207 3.319,1208 3.375,1209 3.228,1210 3.132,1211 4.409,1212 3.151,1213 0.101,1214 0.079,1215 0.157,1216 0.093,1217 0.074,1218 5.131,1219 0.104,1220 4.04,1221 0.024,1222 8.023,1223 0.304,1224 4.733,1225 0.071,1226 3.789,1227 5.285,1228 1.2,1229 15.525,1230 3.603,1231 2.036,1232 2.028,1233 2.08,1234 2.095,1235 1.377,1236 2.081,1237 1.958,1238 1.932,1239 2.057,1240 2.068,1241 1.349,1242 2.07,1243 1.907,1244 1.882,1245 2.019,1246 2.019,1247 1.166,1248 2.005,1249 1.889,1250 1.856,1251 1.954,1252 1.999,1253 1.141,1254 2.003,1255 1.78,1256 1.746,1257 1.934,1258 1.918,1259 1.072,1260 1.927,1261 1.41,1262 1.353,1263 1.668,1264 1.667,1265 0.846,1266 1.658,1267 1.382,1268 1.32,1269 1.603,1270 1.642,1271 0.769,1272 1.632,1273 1.316,1274 1.269,1275 1.577,1276 1.55,1277 0.684,1278 1.553,1279 4.635,1281 6.057,1282 3.434,1283 7.692,1284 6.009,1285 9.429,1286 8.32,1287 11.225,1289 5.66,1295 0.99,1296 3.126,1297 13.578,1299 -1.211,1300 1.826,1301 -0.98,1305 48.793,1306 109.126,1307 265.646,1308 351.835,1309 395.941,1310 413.593,1311 421.593,1312 73.798,1313 11.149,1314 77.73,1315 77.73,1316 52,1317 13.932,1318 5.044,1319 4.17,1320 49.806,1321 172,1322 204,1323 0.153,1324 282.14,1325 479.62,1326 680.183,1327 1253820,1329 29.198,1330 0.679,1331 0.561,1332 29.198,1333 24.126,1334 20.936,1335 0.411,1336 0.289,1337 14.559,1338 20.216,1339 14.193,1340 11.597,1341 20.936,1342 14.758,1343 19.933,1344 0.246,1345 0.149,1346 19.933,1347 12.092,1348 19.217,1349 0.148,1350 0.077,1351 19.217,1352 10.036,1353 18.325,1354 0.088,1355 0.04,1356 18.325,1357 8.327,1358 16.612,1359 0.053,1360 0.02,1361 16.612,1362 6.453,1363 0.226,1364 130.7,1365 0.17,1366 35.915,1367 0.471,1368 264,1369 674.21,1370 287.03,1371 648.608,1372 928.49,1373 614,1374 343,1375 721.878,1376 369.693,1377 729.588,1378 1117.2,1379 692,1380 5}
{0 CHEMBL2314273,1 1.59,2 9.333,3 2.591,4 6.711,5 114.365,6 7.74,7 0.529,8 4.079,9 4.2,10 3.69,11 3.599,12 5.188,13 3.602,14 4.625,15 4.797,16 4.057,17 4.003,18 5.727,19 3.986,20 4.85,21 5.053,22 4.111,23 4.144,24 5.867,25 4.097,26 4.866,27 5.08,28 4.101,29 4.157,30 5.905,31 4.104,32 4.902,33 5.119,34 4.138,35 4.192,36 5.921,37 4.133,38 4.909,39 5.121,40 4.14,41 4.209,42 5.913,43 4.151,44 4.942,45 5.146,46 4.119,47 4.246,48 5.898,49 4.169,50 5.059,51 5.295,52 4.034,53 4.238,54 6.055,55 4.118,56 0.048,57 0.831,58 9.99,59 4.278,60 8.99,61 5.565,62 0.367,63 1.34,64 20.005,65 7.247,66 32.833,67 9.559,68 0.383,69 1.594,70 26.661,71 9.173,72 35.735,73 12.685,74 0.405,75 1.66,76 26.945,77 8.987,78 42.636,79 12.625,80 0.382,81 1.691,82 28.142,83 9.746,84 40.904,85 13.943,86 0.415,87 1.721,88 28.009,89 9.612,90 39.074,91 13.531,92 0.3,93 1.737,94 28.412,95 10.76,96 24.963,97 14.94,98 0.56,99 1.774,100 34.901,101 13.2,102 59.339,103 18.374,104 6,105 48,106 0.263,107 0.625,108 0.768,109 0.829,110 0.835,111 0.835,112 3.442,113 0.884,114 -3.73,115 -3.69,116 -3.51,119 42.3,121 1,125 5,142 6,143 3,144 1,145 2,146 1,147 1,150 1,158 1,163 1,164 1,165 1,172 7,174 4,175 10,177 1,178 1,180 1,183 8,185 1,186 1,187 6,192 2,195 6,197 2,198 3,199 10,204 2,207 8,209 2,211 2,212 9,217 1,220 3,222 1,223 2,224 13,226 1,227 1,229 1,232 3,234 1,236 1,237 6,242 1,245 4,247 1,249 5,250 4,252 3,253 3,258 4,263 6,271 2,275 1438,276 20.775,277 20.775,278 20.775,279 20.775,280 20.775,281 18.569,282 24.514,283 12.37,284 21.301,285 16.836,286 16.836,287 16.836,288 16.836,289 16.836,290 13.431,291 36.106,292 5.899,293 17.685,294 4.11,295 1.924,296 1.058,297 0.692,298 0.654,299 0.654,300 4.154,304 1,305 1,306 618,307 2.739,310 61.015,311 324.38,314 111.1,318 1.356,319 27.181,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 65,331 280,332 4.598,333 3.511,334 6.905,335 4.245,336 3.29,337 4.279,338 0.98,339 11.623,340 3.153,341 4.211,342 3.47,343 6.343,344 3.863,345 2.885,346 3.77,347 0.86,348 9.653,349 2.83,350 4.033,351 3.088,352 6.107,353 3.712,354 2.781,355 3.52,356 0.8,357 8.939,358 2.611,359 3.854,360 2.887,361 5.924,362 3.574,363 2.6,364 3.138,365 0.8,366 8.204,367 2.482,368 3.633,369 2.432,370 5.531,371 3.23,372 2.247,373 2.992,375 6.967,376 2.205,377 3.166,378 2.296,379 4.767,380 2.749,381 1.837,382 2.388,384 4.817,385 1.691,386 2.978,387 2.008,388 4.523,389 2.69,390 1.732,391 2.073,393 4.661,394 1.632,395 2.908,396 1.712,397 4.155,398 2.419,399 1.461,400 2.022,402 3.529,403 1.395,404 2.644,405 1.633,406 3.839,407 2.214,408 1.279,409 1.688,411 3.037,412 1.193,413 2.529,414 1.359,415 3.632,416 2.091,417 1.151,418 1.5,420 2.755,421 1.074,422 2.5,423 1.256,424 3.491,425 2.016,426 1,427 1.475,428 2.511,429 1.01,430 2.336,431 1.171,432 3.44,433 1.984,434 1,435 1.323,436 2.323,437 0.983,438 2.212,439 1.13,440 3.419,441 1.952,442 1,443 1.167,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.921,451 1,452 1,454 2.136,455 0.915,456 1.848,457 0.799,458 3.247,459 1.581,460 0.634,461 0.753,463 1.766,464 0.599,465 14.067,466 0.469,467 0.64,468 0.021,469 41.5,470 1.383,471 20.5,472 0.683,473 21,474 0.7,475 24.004,476 0.8,477 31.533,478 0.606,479 31.813,480 1.06,481 8.181,482 0.273,483 6.522,484 0.217,485 0.052,487 0.341,493 0.845,494 1.427,495 0.735,496 1.102,497 0.695,498 0.927,499 1.035,500 0.978,501 0.888,502 0.885,503 0.577,504 0.867,505 1.07,506 1.147,507 0.957,508 0.962,509 0.854,510 0.945,511 0.964,512 1.008,513 1.031,514 0.947,515 1.018,516 0.975,517 0.771,518 1.125,519 0.917,520 0.994,521 0.735,522 0.971,523 0.873,524 1.014,525 1.013,526 0.973,527 0.653,528 0.994,529 0.786,530 1.174,531 1.063,532 1.205,533 0.658,534 1.177,535 0.65,536 0.916,537 1.035,538 1.192,539 0.862,540 1.191,541 4.5,542 0.12,543 3.333,544 1.597,545 1.294,546 1.33,547 0.777,548 0.408,549 0.31,550 0.206,551 11035,552 29755,553 2.186,554 42.3,556 16,558 2,559 2,561 2,564 1.738,565 2.093,566 3.22,567 0.243,568 1,569 1,573 82.698,574 1.59,575 3.777,576 4.642,577 5.008,578 5.047,579 5.047,580 2.536,581 4.374,582 4.876,583 3.379,584 1469.99,585 8.562,586 19770,588 1,590 1,591 296.423,592 1.231,593 4.859,594 0.132,595 0.006,596 0.069,597 0.032,598 0.026,599 0.026,600 0.015,601 0.008,602 0.007,603 0.007,604 0.33,605 0.33,606 0.88,607 0.588,608 150.441,609 -0.063,610 -0.246,611 0.064,612 -0.083,613 -0.056,614 -0.002,615 0.007,616 0.135,617 0.013,618 0.086,619 0.109,620 0.05,621 -0.109,622 -0.109,623 -0.019,624 0.018,625 -0.034,626 0.012,627 -0.11,628 0.075,629 -0.102,630 0.005,631 -0.139,632 -0.035,633 0.013,634 -0.08,635 0.015,636 -0.015,637 -0.01,639 -0.058,640 0.06,641 -0.09,642 -0.008,643 0.025,644 -0.042,645 -0.041,646 -0.139,647 -0.156,648 -0.199,649 -0.011,650 -0.193,651 0.203,652 0.014,653 -0.059,654 -0.172,655 0.077,656 -0.167,657 2.116,658 4.723,659 0.9,660 27.738,661 1.006,662 1.129,663 2.5,664 6.25,665 0.674,666 3.555,667 3.892,668 4.22,669 4.533,670 4.828,671 4.99,672 5.247,673 5.434,674 5.583,675 5.714,676 5.963,677 0.649,678 402.5,679 3.555,680 5.106,681 5.979,682 6.872,683 7.768,684 8.672,685 9.579,686 10.491,687 11.405,688 12.321,689 11.5,695 1,696 1,697 1,699 3,704 8,705 3,709 7,711 18,717 1,726 2,731 52,733 19,734 1,735 34,737 56,738 22,739 15,740 2,741 4,742 1,746 5,747 6,755 1,758 1,761 16,762 6,766 1,771 1,775 1,778 1,781 22,782 8,783 2,784 8,790 6,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 30,849 1,854 6,856 1,859 2,870 3.8,873 1,874 1,877 14.333,878 9.333,879 6.528,880 3.144,881 3.157,882 1.392,883 1.026,884 5.072,885 11.22,886 3.807,887 4.388,888 4.985,889 5.579,890 6.173,891 6.491,892 6.993,893 7.408,894 7.804,895 8.184,896 0.714,897 50,898 11.084,900 4.788,901 7.694,902 21.311,904 17.852,905 2.194,906 65.833,909 1,910 235.422,911 116.991,912 89.502,914 36.145,917 116.991,918 271.567,919 89.502,921 50.934,922 56.857,923 114.748,924 39.414,925 4.227,926 211.88,928 235.422,929 206.493,930 36.145,933 211.88,934 48.687,935 11,937 76.809,938 79.328,939 50.357,941 235.422,942 125.647,943 116.991,946 235.422,947 42.038,948 81.201,950 119.399,951 235.422,952 125.647,953 116.991,955 0.58,956 0.344,957 0.192,958 0.11,959 25,960 10,961 0.071,962 4,963 1,964 1.074,965 4.068,966 290.172,967 0.074,968 27,969 139.207,974 18.981,975 8.017,976 3.658,978 125.647,979 14.88,980 14.016,984 5.89,986 32.897,987 478.06,988 44,993 11.723,997 -0.45,999 52.334,1000 58.73,1001 0.279,1002 0.663,1003 0.814,1004 0.879,1005 0.885,1006 0.885,1007 5.053,1008 1.461,1009 5.958,1010 4.661,1011 4.575,1012 5.075,1013 1.844,1014 6.799,1015 4.485,1016 6.242,1017 1.279,1018 7.529,1019 3.529,1020 4.111,1021 4.783,1022 0.57,1023 7.753,1024 3.994,1025 7.543,1026 1.151,1027 9.205,1028 3.037,1029 6.184,1030 7.222,1031 1.581,1032 10.902,1033 6.014,1034 8.881,1035 1,1036 10.945,1037 2.755,1038 6.594,1039 7.778,1040 0.479,1041 12.717,1042 6.396,1043 10.256,1044 1,1045 12.727,1046 2.511,1047 8.106,1048 9.676,1049 1.416,1050 15.372,1051 7.858,1052 11.655,1053 1,1054 14.537,1055 2.323,1056 8.914,1057 10.634,1058 0.346,1059 17.531,1060 8.633,1061 13.074,1062 1,1063 16.366,1064 2.136,1065 10.2,1066 12.292,1067 1.291,1068 20.027,1069 9.875,1070 3.29,1071 0.634,1072 18.21,1073 2.136,1074 11.195,1075 13.463,1076 0.237,1077 22.337,1078 10.833,1079 2.885,1080 11.623,1081 20.064,1082 1.766,1083 12.394,1084 15.005,1085 1.19,1086 24.784,1087 11.99,1088 2.781,1089 9.653,1090 21.927,1091 4.279,1092 13.478,1093 16.294,1094 0.158,1095 27.162,1096 13.033,1097 2.6,1098 8.939,1099 23.797,1100 3.77,1101 14.648,1102 17.781,1103 1.109,1104 29.599,1105 14.161,1106 2.247,1107 8.204,1108 25.674,1109 3.52,1110 15.774,1111 19.136,1112 0.104,1113 32.011,1114 15.246,1115 1.837,1116 6.967,1117 27.555,1118 3.138,1119 16.938,1120 20.596,1121 1.041,1122 34.448,1123 16.368,1124 1.732,1125 4.817,1126 29.441,1127 2.992,1128 18.087,1129 21.99,1130 0.068,1131 36.877,1132 17.475,1133 10308,1134 17040,1135 23.463,1136 35.034,1137 52.073,1138 52.794,1139 52.432,1140 51.807,1141 51.794,1142 66.179,1143 6.88,1144 150.114,1145 49.435,1146 5.598,1147 5.511,1148 6.707,1149 5.349,1150 5.29,1151 7.279,1152 1.96,1153 19.183,1154 5.153,1155 10.276,1156 1.532,1157 1.553,1158 1.542,1159 1.524,1160 1.523,1161 1.946,1162 0.202,1163 4.415,1164 1.454,1165 4.072,1166 4.113,1167 4.037,1168 3.967,1169 7.437,1170 3.977,1171 3.885,1172 3.919,1173 3.832,1174 3.787,1175 5.009,1176 3.794,1177 3.797,1178 3.848,1179 3.728,1180 3.641,1181 4.896,1182 3.655,1183 3.695,1184 3.745,1185 3.593,1186 3.513,1187 4.87,1188 3.525,1189 3.358,1190 3.414,1191 3.28,1192 3.129,1193 4.635,1194 3.156,1195 3.261,1196 3.328,1197 3.161,1198 3.019,1199 4.582,1200 3.046,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.159,1206 2.91,1207 2.94,1208 2.999,1209 2.859,1210 2.777,1211 3.894,1212 2.788,1213 0.135,1214 0.103,1215 0.203,1216 0.125,1217 0.097,1218 4.598,1219 0.126,1220 3.511,1221 0.029,1222 6.905,1223 0.342,1224 4.245,1225 0.093,1226 3.29,1227 4.279,1228 0.98,1229 11.623,1230 3.153,1231 1.96,1232 1.937,1233 2.039,1234 2.069,1235 1.215,1236 2.056,1237 1.832,1238 1.792,1239 1.941,1240 1.975,1241 1.17,1242 1.97,1243 1.741,1244 1.692,1245 1.918,1246 1.949,1247 1.075,1248 1.943,1249 1.601,1250 1.557,1251 1.776,1252 1.773,1253 0.963,1254 1.768,1255 1.377,1256 1.302,1257 1.566,1258 1.613,1259 0.825,1260 1.616,1261 1.2,1262 1.157,1263 1.513,1264 1.515,1265 0.686,1266 1.483,1267 1.153,1268 1.064,1269 1.389,1270 1.376,1271 0.274,1272 1.429,1273 0.886,1274 0.827,1275 1.181,1276 1.166,1277 0.254,1278 1.145,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.727,1285 8.732,1286 6.862,1287 10.411,1293 5.51,1295 4.423,1297 5.495,1300 4.346,1305 33.772,1306 82.698,1307 196.384,1308 241.403,1309 260.423,1310 262.423,1311 262.423,1312 42.115,1313 8.062,1314 97.47,1315 97.47,1316 29,1317 12.833,1318 4.322,1319 3.459,1320 41.126,1321 106,1322 106,1323 0.19,1324 204.319,1325 351.84,1326 490.299,1327 33162,1329 20.501,1330 0.683,1331 0.55,1332 20.501,1333 16.491,1334 14.704,1335 0.432,1336 0.295,1337 9.855,1338 14.064,1339 9.703,1340 7.937,1341 14.704,1342 10.019,1343 13.191,1344 0.275,1345 0.153,1346 13.191,1347 7.326,1348 11.508,1349 0.172,1350 0.082,1351 11.508,1352 5.503,1353 9.923,1354 0.108,1355 0.043,1356 9.923,1357 3.982,1358 8.463,1359 0.068,1360 0.022,1361 8.463,1362 2.734,1363 0.288,1364 92.516,1365 0.206,1366 27.63,1367 0.56,1368 164,1369 473.009,1370 180.999,1371 455.755,1372 633.71,1373 430,1374 197,1375 474.202,1376 214.752,1377 478.084,1378 707.76,1379 452,1380 4.721}
{0 CHEMBL2314274,1 1.571,2 10,3 2.796,4 7.82,5 119.262,6 7.573,7 0.514,8 4.127,9 4.249,10 3.722,11 3.64,12 5.205,13 3.638,14 4.683,15 4.865,16 4.079,17 4.039,18 5.728,19 4.017,20 4.893,21 5.1,22 4.15,23 4.182,24 5.897,25 4.134,26 4.917,27 5.126,28 4.14,29 4.202,30 5.962,31 4.149,32 4.945,33 5.156,34 4.177,35 4.25,36 5.949,37 4.187,38 4.988,39 5.208,40 4.178,41 4.275,42 5.948,43 4.207,44 5.001,45 5.207,46 4.16,47 4.301,48 5.932,49 4.218,50 5.114,51 5.354,52 4.091,53 4.296,54 6.07,55 4.178,56 0.028,57 0.872,58 10.942,59 4.596,60 7.074,61 6.132,62 0.389,63 1.406,64 22.135,65 7.58,66 27.415,67 10.31,68 0.349,69 1.653,70 28.399,71 9.701,72 33.47,73 13.687,74 0.442,75 1.721,76 29.041,77 9.471,78 48.804,79 13.3,80 0.351,81 1.772,82 29.448,83 10.34,84 39.488,85 14.884,86 0.413,87 1.834,88 31.276,89 10.712,90 38.589,91 15.384,92 0.274,93 1.834,94 30.806,95 11.605,96 24.721,97 16.363,98 0.578,99 1.877,100 37.355,101 13.776,102 56.184,103 19.377,104 7,105 49,106 0.257,107 0.608,108 0.774,109 0.831,110 0.837,111 0.837,112 3.473,113 0.898,114 -3.94,115 -3.9,116 -3.7,119 41.8,121 1,124 1,125 5,142 6,143 3,144 1,145 2,146 1,147 1,150 1,158 1,172 7,174 4,175 10,178 1,180 1,183 8,186 1,187 6,192 2,195 6,198 3,199 10,204 2,207 8,211 2,212 9,217 1,220 3,223 2,224 13,227 1,229 1,232 3,236 1,237 6,242 1,245 4,249 5,250 4,253 3,258 4,263 6,271 2,275 1618,276 21.646,277 21.646,278 21.646,279 21.646,280 21.646,281 19.491,282 26.047,283 12.872,284 22.249,285 17.257,286 17.257,287 17.257,288 17.257,289 17.257,290 13.844,291 36.947,292 6.053,293 18.155,294 4.211,295 2.066,296 1.05,297 0.705,298 0.668,299 0.668,300 4.185,304 1,305 1,306 682,307 2.915,310 63.763,311 338.853,314 116.212,318 1.419,319 25.815,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 67,331 310,332 4.599,333 3.556,334 6.905,335 4.246,336 3.291,337 4.279,338 1.058,339 11.624,340 3.153,341 4.223,342 3.475,343 6.346,344 3.878,345 2.896,346 3.779,347 0.86,348 9.665,349 2.847,350 4.04,351 3.088,352 6.112,353 3.72,354 2.788,355 3.523,356 0.8,357 8.958,358 2.623,359 3.862,360 2.888,361 6.002,362 3.591,363 2.624,364 3.148,365 0.8,366 8.47,367 2.487,368 3.646,369 2.434,370 5.545,371 3.243,372 2.261,373 3.004,375 7.03,376 2.217,377 3.189,378 2.296,379 4.784,380 2.763,381 1.841,382 2.416,384 4.894,385 1.715,386 2.98,387 2.011,388 4.526,389 2.706,390 1.759,391 2.087,393 4.665,394 1.635,395 2.919,396 1.712,397 4.205,398 2.453,399 1.498,400 2.023,402 3.633,403 1.427,404 2.666,405 1.633,406 4.023,407 2.231,408 1.294,409 1.713,411 3.255,412 1.209,413 2.562,414 1.359,415 3.704,416 2.124,417 1.188,418 1.563,420 2.834,421 1.108,422 2.5,423 1.256,424 3.491,425 2.071,426 1.089,427 1.5,428 2.511,429 1.062,430 2.336,431 1.173,432 3.474,433 1.984,434 1,435 1.324,436 2.471,437 0.983,438 2.212,439 1.13,440 3.419,441 1.952,442 1,443 1.168,445 2.136,446 0.946,447 2,448 1.086,449 3.247,450 1.921,451 1,452 1,454 2.136,455 0.915,456 1.848,457 1,458 3.247,459 1.582,460 0.635,461 0.753,463 1.77,464 0.6,465 14.567,466 0.47,467 0.602,468 0.019,469 42.25,470 1.363,471 20.5,472 0.661,473 21.75,474 0.702,475 25.442,476 0.821,477 32.833,478 0.597,479 32.946,480 1.063,481 8.378,482 0.27,483 6.863,484 0.221,485 0.057,487 0.33,493 0.822,494 1.51,495 0.745,496 1.164,497 0.592,498 0.974,499 1.097,500 0.943,501 0.906,502 0.84,503 0.692,504 0.839,505 1.045,506 1.149,507 0.915,508 0.961,509 0.855,510 0.924,511 1.162,512 0.99,513 1.069,514 0.917,515 1.457,516 0.959,517 0.776,518 1.165,519 0.951,520 1.044,521 0.767,522 1.018,523 0.839,524 1.001,525 0.988,526 0.966,527 0.65,528 0.981,529 0.766,530 1.207,531 1.051,532 1.22,533 0.657,534 1.181,535 0.691,536 0.884,537 1.021,538 1.128,539 0.881,540 1.134,541 4.5,542 0.12,543 3.556,544 1.597,545 1.294,546 1.358,547 0.817,548 0.408,549 0.323,550 0.247,551 12038,552 31322,553 2.18,554 43.6,556 19,558 2,559 1,561 2,564 1.746,565 2.09,566 3.295,567 -0.329,569 1,573 86.384,574 1.571,575 3.715,576 4.731,577 5.077,578 5.113,579 5.113,580 2.701,581 4.632,582 4.922,583 3.44,584 1599.72,585 8.655,586 22028,588 1,591 317.975,592 1.215,593 4.907,594 0.129,595 0.005,596 0.073,597 0.031,598 0.025,599 0.026,600 0.015,601 0.008,602 0.007,603 0.007,604 0.326,605 0.33,606 0.88,607 0.735,608 157.443,609 -0.034,610 -0.318,611 0.077,612 -0.127,613 -0.008,614 -0.027,615 -0.009,616 0.181,617 0.021,618 0.125,619 0.027,620 0.082,621 -0.075,622 -0.106,623 0.031,624 0.024,625 0.013,626 0.039,627 -0.161,628 0.098,629 -0.124,630 0.036,631 -0.212,632 -0.025,633 0.008,634 -0.099,635 -0.028,636 -0.055,637 -0.024,638 -0.047,639 -0.035,640 0.063,641 -0.053,642 0.01,643 0.029,644 -0.015,645 -0.025,646 -0.166,647 -0.139,648 -0.207,649 -0.005,650 -0.191,651 0.182,652 0.064,653 -0.048,654 -0.118,655 0.062,656 -0.122,657 1.778,658 5.202,659 0.871,660 29.8,661 1.004,662 1.13,663 2.715,664 7.37,665 0.669,666 3.584,667 3.912,668 4.248,669 4.554,670 4.844,671 5.011,672 5.268,673 5.46,674 5.609,675 5.746,676 6.16,677 0.642,678 416.53,679 3.584,680 5.13,681 6.004,682 6.895,683 7.79,684 8.694,685 9.6,686 10.511,687 11.424,688 12.34,689 10.9,695 1,696 1,697 1,699 3,704 8,705 3,709 7,711 18,718 1,726 2,731 55,733 19,734 1,735 35,737 59,738 23,739 15,740 2,741 4,742 1,746 5,747 6,755 1,758 1,761 16,762 7,766 1,771 1,775 1,778 1,781 24,782 8,783 1,784 8,790 6,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 31,854 6,855 1,856 1,859 2,870 3.6,873 1,874 1,877 14.833,878 10.25,879 6.861,880 3.374,881 3.173,882 1.39,883 1.013,884 5.538,885 11.304,886 3.829,887 4.401,888 5.006,889 5.591,890 6.183,891 6.505,892 7.009,893 7.428,894 7.821,895 8.206,896 0.857,897 52,898 11.466,900 4.903,901 7.64,902 22.151,904 18.402,905 2.14,906 66.333,909 1,910 270.735,911 125.387,912 74.616,914 36.145,917 125.387,918 306.88,919 74.616,920 8.396,921 36.047,922 56.857,923 114.748,924 39.414,925 4.227,926 247.193,928 270.735,929 200.003,930 36.145,933 247.193,934 48.687,935 11,937 61.922,938 87.724,939 50.357,941 270.735,942 110.761,943 125.387,946 270.735,947 42.038,948 89.597,949 18.011,950 86.501,951 270.735,952 110.761,953 125.387,955 0.575,956 0.348,957 0.193,958 0.108,959 25,960 10,961 0.068,962 4,963 1,964 1.074,965 4.145,966 302.155,967 0.074,968 27,969 145.58,974 19.921,975 8.618,976 3.87,978 110.761,979 15.215,980 14.105,984 6.198,986 18.011,987 506.883,988 45,993 12.202,997 -0.112,999 55.218,1000 62.145,1001 0.272,1002 0.643,1003 0.818,1004 0.878,1005 0.884,1006 0.884,1007 5.072,1008 1.498,1009 5.979,1010 4.665,1011 4.595,1012 5.088,1013 1.893,1014 6.819,1015 4.503,1016 6.255,1017 1.294,1018 7.549,1019 3.633,1020 4.111,1021 4.783,1022 0.57,1023 7.774,1024 3.994,1025 7.555,1026 1.188,1027 9.225,1028 3.255,1029 6.205,1030 7.233,1031 1.709,1032 10.924,1033 6.032,1034 8.893,1035 1.089,1036 10.965,1037 2.834,1038 6.608,1039 7.786,1040 0.479,1041 12.738,1042 6.41,1043 10.268,1044 1,1045 12.747,1046 2.511,1047 8.124,1048 9.684,1049 1.641,1050 15.392,1051 7.877,1052 11.668,1053 1,1054 14.557,1055 2.471,1056 8.931,1057 10.642,1058 0.346,1059 17.549,1060 8.653,1061 13.087,1062 1,1063 16.386,1064 2.136,1065 10.218,1066 12.299,1067 1.626,1068 20.044,1069 9.895,1070 3.291,1071 0.635,1072 18.229,1073 2.136,1074 11.213,1075 13.471,1076 0.237,1077 22.351,1078 10.854,1079 2.896,1080 11.624,1081 20.084,1082 1.77,1083 12.411,1084 15.012,1085 1.645,1086 24.797,1087 12.011,1088 2.788,1089 9.665,1090 21.946,1091 4.279,1092 13.494,1093 16.302,1094 0.158,1095 27.173,1096 13.055,1097 2.624,1098 8.958,1099 23.816,1100 3.779,1101 14.664,1102 17.787,1103 1.689,1104 29.608,1105 14.183,1106 2.261,1107 8.47,1108 25.692,1109 3.523,1110 15.789,1111 19.143,1112 0.104,1113 32.018,1114 15.268,1115 1.841,1116 7.03,1117 27.573,1118 3.148,1119 16.952,1120 20.603,1121 1.749,1122 34.454,1123 16.39,1124 1.759,1125 4.894,1126 29.459,1127 3.004,1128 18.101,1129 21.997,1130 0.068,1131 36.882,1132 17.496,1133 11291,1134 18328,1135 24.156,1136 36.796,1137 52.96,1138 54.478,1139 54.062,1140 52.744,1141 52.705,1142 67.004,1143 7.037,1144 152.601,1145 50.22,1146 5.599,1147 5.556,1148 6.707,1149 5.349,1150 5.291,1151 7.279,1152 2.117,1153 19.184,1154 5.153,1155 10.573,1156 1.513,1157 1.557,1158 1.545,1159 1.507,1160 1.506,1161 1.914,1162 0.201,1163 4.36,1164 1.435,1165 4.074,1166 4.114,1167 4.038,1168 3.968,1169 7.429,1170 3.978,1171 3.888,1172 3.922,1173 3.835,1174 3.788,1175 5.005,1176 3.795,1177 3.798,1178 3.85,1179 3.73,1180 3.642,1181 4.875,1182 3.656,1183 3.698,1184 3.748,1185 3.595,1186 3.514,1187 4.659,1188 3.526,1189 3.461,1190 3.537,1191 3.353,1192 3.212,1193 4.589,1194 3.237,1195 3.281,1196 3.354,1197 3.173,1198 3.06,1199 4.183,1200 3.076,1201 3.111,1202 3.206,1203 2.878,1204 2.941,1205 4.156,1206 2.91,1207 2.996,1208 3.051,1209 2.866,1210 2.803,1211 3.893,1212 2.808,1213 0.131,1214 0.102,1215 0.197,1216 0.121,1217 0.094,1218 4.599,1219 0.122,1220 3.556,1221 0.03,1222 6.905,1223 0.332,1224 4.246,1225 0.09,1226 3.291,1227 4.279,1228 1.058,1229 11.624,1230 3.153,1231 1.961,1232 1.938,1233 2.04,1234 2.07,1235 1.216,1236 2.057,1237 1.832,1238 1.792,1239 1.942,1240 1.977,1241 1.171,1242 1.971,1243 1.742,1244 1.693,1245 1.918,1246 1.951,1247 1.077,1248 1.944,1249 1.604,1250 1.559,1251 1.78,1252 1.786,1253 0.965,1254 1.78,1255 1.386,1256 1.31,1257 1.677,1258 1.655,1259 0.825,1260 1.667,1261 1.363,1262 1.286,1263 1.56,1264 1.612,1265 0.705,1266 1.61,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.661,1272 1.429,1273 0.963,1274 0.906,1275 1.196,1276 1.192,1277 0.274,1278 1.192,1279 4.263,1281 5.587,1282 2.398,1283 7.124,1284 4.727,1285 8.752,1286 6.862,1287 10.43,1289 1.639,1295 4.493,1296 2.696,1297 5.515,1300 4.383,1305 35.299,1306 86.384,1307 204.352,1308 260.2,1309 279.22,1310 281.22,1311 281.22,1312 43.412,1313 8.131,1314 83.48,1315 83.48,1316 29,1317 12.852,1318 4.322,1319 3.459,1320 43.157,1321 112,1322 124,1323 0.187,1324 213.912,1325 369.14,1326 513.704,1327 36249,1329 21.209,1330 0.684,1331 0.562,1332 21.209,1333 17.414,1334 15.242,1335 0.435,1336 0.299,1337 10.301,1338 14.562,1339 10.1,1340 8.299,1341 15.242,1342 10.481,1343 13.333,1344 0.272,1345 0.154,1346 13.333,1347 7.541,1348 12.014,1349 0.174,1350 0.083,1351 12.014,1352 5.708,1353 10.168,1354 0.108,1355 0.044,1356 10.168,1357 4.115,1358 8.591,1359 0.068,1360 0.022,1361 8.591,1362 2.802,1363 0.284,1364 96.013,1365 0.203,1366 28.442,1367 0.546,1368 168,1369 482.029,1370 185.36,1371 462.672,1372 645.43,1373 438,1374 202,1375 482.766,1376 220.584,1377 486.694,1378 721.48,1379 460,1380 5.62}
{0 CHEMBL2314275,1 1.729,2 10.063,3 2.694,4 7.257,5 122.839,6 8.082,7 0.5,8 4.154,9 4.261,10 3.927,11 3.694,12 5.194,13 3.672,14 4.727,15 4.895,16 4.233,17 4.092,18 5.941,19 4.059,20 4.935,21 5.127,22 4.271,23 4.243,24 6.007,25 4.181,26 4.981,27 5.181,28 4.242,29 4.25,30 6.099,31 4.193,32 4.974,33 5.176,34 4.273,35 4.284,36 6.021,37 4.216,38 5.017,39 5.23,40 4.294,41 4.314,42 6.038,43 4.236,44 5.03,45 5.224,46 4.329,47 4.351,48 5.998,49 4.26,50 5.166,51 5.393,52 4.267,53 4.35,54 6.217,55 4.229,56 0.11,57 0.918,58 13.341,59 5.15,60 16.725,61 6.169,62 0.593,63 1.473,64 24.232,65 8.513,66 62.05,67 10.493,68 0.486,69 1.742,70 34.205,71 11.417,72 47.104,73 14.177,74 0.638,75 1.8,76 31.999,77 10.582,78 75.208,79 13.551,80 0.468,81 1.828,82 31.145,83 11.018,84 48.763,85 15.007,86 0.564,87 1.895,88 32.483,89 11.522,90 52.231,91 15.528,92 0.401,93 1.926,94 34.741,95 12.527,96 32.988,97 16.59,98 0.853,99 1.982,100 42.136,101 15.098,102 80.358,103 19.781,104 12,105 52,106 0.281,107 0.614,108 0.777,109 0.832,110 0.832,111 0.832,112 3.503,113 1,114 -3.32,115 -3.31,116 -3.17,119 39.3,121 1,124 1,125 5,142 6,143 2,144 2,145 2,146 1,147 1,150 1,172 5,174 5,175 9,178 2,183 6,186 1,187 8,192 2,195 5,198 3,199 11,204 2,207 7,211 2,212 10,217 1,220 2,223 3,224 11,227 1,229 1,232 3,236 1,237 7,242 1,245 4,249 8,250 4,253 3,258 2,263 5,271 2,275 1768,276 21.963,277 21.963,278 21.963,279 21.963,280 21.963,281 19.638,282 24.565,283 12.821,284 22.662,285 17.719,286 17.719,287 17.719,288 17.719,289 17.719,290 14.008,291 35.069,292 6.012,293 18.875,294 4.079,295 2.029,296 1.032,297 0.692,298 0.692,299 0.692,300 4.212,304 1,305 1,306 705,307 3.391,310 66.352,311 352.6,314 121.03,318 1.445,319 36.092,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 322,332 4.848,333 4.683,334 7.291,335 4.31,336 3.384,337 4.704,338 0.86,339 12.371,340 3.161,341 4.586,342 3.478,343 6.902,344 4.219,345 3.274,346 4.258,347 0.8,348 11.608,349 3.044,350 4.107,351 3.088,352 6.328,353 3.775,354 2.833,355 3.6,356 0.8,357 9.592,358 2.685,359 3.93,360 2.883,361 6.099,362 3.647,363 2.712,364 3.383,366 8.903,367 2.508,368 3.719,369 2.403,370 5.587,371 3.3,372 2.319,373 3.069,375 7.213,376 2.273,377 3.321,378 2.296,379 4.963,380 2.851,381 1.89,382 2.63,384 5.426,385 1.817,386 2.995,387 1.949,388 4.638,389 2.723,390 1.814,391 2.147,393 4.673,394 1.64,395 2.95,396 1.698,397 4.507,398 2.507,399 1.554,400 2.024,402 4.241,403 1.478,404 2.732,405 1.633,406 4.124,407 2.253,408 1.313,409 1.823,411 3.421,412 1.23,413 2.588,414 1.392,415 3.738,416 2.149,417 1.216,418 1.626,420 2.871,421 1.132,422 2.5,423 1.256,424 3.499,425 2.076,426 1.104,427 1.5,428 2.531,429 1.065,430 2.336,431 1.201,432 3.491,433 1.984,434 1,435 1.324,436 2.51,437 0.983,438 2.212,439 1.133,440 3.419,441 1.952,442 1,443 1.168,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.921,451 1,452 1,454 2.136,455 0.915,456 1.848,457 0.805,458 3.247,459 1.582,460 0.635,461 0.753,463 1.772,464 0.6,465 15.233,466 0.476,467 0.779,468 0.024,469 44.25,470 1.383,471 22,472 0.688,473 22.25,474 0.695,475 26.807,476 0.838,477 34.567,478 0.617,479 35.698,480 1.116,481 8.478,482 0.265,483 7.087,484 0.221,485 0.077,486 0.055,487 0.282,493 0.67,494 1.558,495 0.78,496 1.299,497 0.655,498 0.986,499 0.955,500 0.929,501 0.883,502 0.829,503 0.603,504 0.828,505 1.039,506 1.18,507 1.108,508 1.088,509 0.823,510 0.953,511 1.258,512 0.951,513 0.993,514 0.84,515 1.482,516 0.95,517 0.752,518 1.158,519 0.849,520 0.983,521 0.713,522 1.013,523 0.778,524 0.971,525 0.844,526 0.862,527 0.605,528 0.964,529 0.717,530 1.244,531 1.01,532 1.236,533 0.628,534 1.183,535 0.702,536 0.865,537 0.964,538 1.048,539 0.891,540 1.115,541 6,542 0.177,543 4.222,544 1.847,545 1.432,546 1.532,547 0.94,548 0.539,549 0.448,550 0.327,551 12917,552 37034,553 2.147,554 42.9,556 19,558 2,559 1,561 2,564 1.754,565 2.032,566 3.301,567 -0.279,569 1,573 96.801,574 1.729,575 3.778,576 4.776,577 5.115,578 5.115,579 5.115,580 2.695,581 4.351,582 4.97,583 3.457,584 1714.71,585 8.748,586 24110.7,588 1,591 325.212,592 1.438,593 4.937,594 0.167,595 0.007,596 0.081,597 0.034,598 0.027,599 0.028,600 0.017,601 0.01,602 0.009,603 0.009,604 0.388,605 0.33,606 0.75,607 0.789,608 164.086,609 0.053,610 -0.337,611 0.209,612 -0.159,613 -0.118,614 -0.021,615 0.105,616 0.195,617 0.037,618 0.135,619 0.224,620 0.085,621 -0.108,622 -0.119,623 -0.073,624 -0.037,625 0.026,626 0.024,627 -0.224,628 0.104,629 -0.137,630 0.055,631 -0.23,632 -0.029,633 -0.007,634 -0.107,635 -0.021,636 -0.059,637 -0.029,638 -0.047,639 -0.013,640 0.081,641 -0.007,642 0.047,643 0.039,644 -0.006,645 -0.004,646 -0.194,647 -0.075,648 -0.213,649 -0.003,650 -0.186,651 0.206,652 0.086,653 -0.022,654 -0.076,655 0.058,656 -0.114,657 4.481,658 5.389,659 0.844,660 30.813,661 1.011,662 1.13,663 2.094,664 4.387,665 0.677,666 3.611,667 3.97,668 4.29,669 4.575,670 4.868,671 5.037,672 5.298,673 5.489,674 5.645,675 5.796,676 6.252,677 0.646,678 452.59,679 3.611,680 5.176,681 6.052,682 6.954,683 7.851,684 8.762,685 9.669,686 10.585,687 11.499,688 12.418,689 10.7,691 1,695 1,697 1,699 3,704 8,705 3,709 7,711 18,726 2,731 56,733 20,734 1,735 36,737 60,738 22,739 15,740 2,741 4,746 5,747 6,755 1,758 1,761 15,762 7,766 2,769 1,771 2,778 1,781 24,782 9,783 1,784 10,785 1,790 6,794 0.8,795 3,805 1,806 1,811 1,812 4,815 1,839 1,840 4,842 1,844 1,848 32,852 1,854 6,855 1,856 1,859 2,870 5.4,873 2,874 1,877 15.75,878 10.333,879 6.958,880 3.346,881 3.258,882 1.398,883 1.02,884 5.721,885 11.454,886 3.871,887 4.494,888 5.058,889 5.624,890 6.219,891 6.554,892 7.068,893 7.479,894 7.881,895 8.289,896 0.857,897 55,898 12.069,900 5.434,901 7.768,902 22.799,904 19.279,905 2.268,906 72.583,909 1,910 270.735,911 124.855,912 73.01,914 55.313,916 5.807,917 119.048,918 326.048,919 73.01,920 8.396,921 18.036,922 79.07,923 129.212,924 37.779,925 4.227,926 247.193,928 270.735,929 192.058,930 55.313,931 5.807,933 247.193,934 67.855,935 11,937 60.316,938 81.385,939 56.164,941 270.735,942 128.323,943 124.855,945 5.807,946 270.735,947 35.699,948 89.597,949 16.405,950 105.669,951 270.735,952 128.323,953 124.855,955 0.586,956 0.352,957 0.187,958 0.104,959 27,960 11,961 0.083,962 5,963 1,964 1.074,965 4.163,966 317.758,967 0.074,968 27,969 150,973 1,974 21.136,975 8.662,976 4.072,978 128.323,979 14.37,980 13.988,984 5.24,986 16.405,987 523.913,988 47,991 -3.565,993 24.779,999 56.622,1000 63.275,1001 0.298,1002 0.651,1003 0.822,1004 0.881,1005 0.881,1006 0.881,1007 5.133,1008 1.554,1009 6.066,1010 4.673,1011 4.654,1012 5.182,1013 1.481,1014 6.95,1015 4.534,1016 6.357,1017 1.313,1018 7.674,1019 4.241,1020 4.369,1021 5.19,1022 0.57,1023 8.159,1024 4.168,1025 7.705,1026 1.216,1027 9.396,1028 3.421,1029 6.351,1030 7.468,1031 1.104,1032 11.234,1033 6.102,1034 9.099,1035 1.104,1036 11.19,1037 2.871,1038 6.929,1039 8.331,1040 0.479,1041 13.258,1042 6.589,1043 10.532,1044 1,1045 13.029,1046 2.531,1047 8.392,1048 10.123,1049 0.854,1050 15.909,1051 8.003,1052 11.993,1053 1,1054 14.898,1055 2.51,1056 9.329,1057 11.347,1058 0.346,1059 18.219,1060 8.851,1061 13.474,1062 1,1063 16.788,1064 2.136,1065 10.61,1066 12.967,1067 0.661,1068 20.749,1069 10.076,1070 3.384,1071 0.635,1072 18.694,1073 2.136,1074 11.696,1075 14.352,1076 0.237,1077 23.167,1078 11.079,1079 3.274,1080 12.371,1081 20.611,1082 1.772,1083 12.915,1084 15.909,1085 0.505,1086 25.664,1087 12.235,1088 2.833,1089 11.608,1090 22.537,1091 4.704,1092 14.064,1093 17.369,1094 0.158,1095 28.125,1096 13.306,1097 2.712,1098 9.592,1099 24.47,1100 4.258,1101 15.264,1102 18.905,1103 0.382,1104 30.615,1105 14.44,1106 2.319,1107 8.903,1108 26.409,1109 3.6,1110 16.441,1111 20.401,1112 0.104,1113 33.095,1114 15.542,1115 1.89,1116 7.213,1117 28.353,1118 3.383,1119 17.638,1120 21.931,1121 0.285,1122 35.587,1123 16.67,1124 1.814,1125 5.426,1126 30.301,1127 3.069,1128 18.827,1129 23.446,1130 0.068,1131 38.076,1132 17.788,1133 12167,1134 20760,1135 24.444,1136 37.898,1137 54.639,1138 55.943,1139 55.916,1140 54.885,1141 54.851,1142 70.845,1143 4.92,1144 163.799,1145 51.648,1146 5.848,1147 6.683,1148 7.093,1149 5.413,1150 5.384,1151 7.704,1152 1.72,1153 19.953,1154 5.161,1155 12.968,1156 1.518,1157 1.554,1158 1.553,1159 1.525,1160 1.524,1161 1.968,1162 0.137,1163 4.55,1164 1.435,1165 4.116,1166 4.131,1167 4.734,1168 4.081,1169 7.717,1170 4.022,1171 3.98,1172 3.987,1173 4.013,1174 3.87,1175 6.999,1176 3.853,1177 3.815,1178 3.862,1179 3.775,1180 3.689,1181 5.004,1182 3.685,1183 3.724,1184 3.766,1185 3.659,1186 3.542,1187 4.875,1188 3.539,1189 3.604,1190 3.633,1191 3.566,1192 3.485,1193 4.648,1194 3.454,1195 3.282,1196 3.354,1197 3.178,1198 3.065,1199 4.587,1200 3.08,1201 3.113,1202 3.206,1203 2.915,1204 2.941,1205 4.161,1206 2.91,1207 3.111,1208 3.183,1209 2.866,1210 2.877,1211 4.134,1212 2.85,1213 0.135,1214 0.13,1215 0.203,1216 0.12,1217 0.094,1218 4.848,1219 0.131,1220 4.683,1221 0.024,1222 7.291,1223 0.344,1224 4.31,1225 0.088,1226 3.384,1227 4.704,1228 0.86,1229 12.371,1230 3.161,1231 1.993,1232 1.993,1233 2.023,1234 2.078,1235 1.234,1236 2.09,1237 1.837,1238 1.799,1239 1.941,1240 1.986,1241 1.188,1242 1.986,1243 1.761,1244 1.728,1245 1.916,1246 1.955,1247 1.102,1248 1.952,1249 1.629,1250 1.594,1251 1.771,1252 1.809,1253 0.984,1254 1.824,1255 1.475,1256 1.453,1257 1.655,1258 1.673,1259 0.825,1260 1.696,1261 1.373,1262 1.299,1263 1.559,1264 1.612,1265 0.772,1266 1.611,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.666,1272 1.429,1273 1.07,1274 0.999,1275 1.181,1276 1.299,1277 0.413,1278 1.354,1279 4.29,1281 5.638,1282 2.398,1283 7.195,1284 4.727,1285 8.839,1286 6.862,1287 10.528,1289 1.41,1295 4.199,1296 2.383,1297 5.496,1300 4.283,1305 36.201,1306 96.801,1307 211.589,1308 267.437,1309 286.457,1310 286.457,1311 286.457,1312 54.497,1313 8.195,1314 100.55,1315 108.93,1316 29,1317 12.929,1318 4.392,1319 3.585,1320 45.224,1321 117,1322 122,1323 0.187,1324 222.374,1325 381.78,1326 534.352,1327 39117,1329 22.131,1330 0.692,1331 0.58,1332 22.381,1333 18.547,1334 15.565,1335 0.432,1336 0.333,1337 10.456,1338 14.012,1339 10.13,1340 8.31,1341 16.386,1342 12.001,1343 14.226,1344 0.274,1345 0.183,1346 15.601,1347 9.503,1348 12.541,1349 0.174,1350 0.1,1351 13.681,1352 7.181,1353 10.277,1354 0.107,1355 0.051,1356 10.903,1357 4.866,1358 8.717,1359 0.068,1360 0.026,1361 9.256,1362 3.325,1363 0.283,1364 106.559,1365 0.202,1366 29.152,1367 0.545,1368 176,1369 532.625,1370 232,1371 529.057,1372 730.31,1373 494,1374 212,1375 517.979,1376 274.314,1377 556.653,1378 822.2,1379 524,1380 4.301}
{0 CHEMBL2314276,1 1.555,2 9.333,3 3.104,4 9.634,5 114.695,6 7.833,7 0.629,8 4.08,9 4.201,10 3.716,11 3.604,12 5.145,13 3.612,14 4.639,15 4.813,16 4.091,17 4.022,18 5.663,19 4.011,20 4.839,21 5.05,22 4.104,23 4.143,24 5.774,25 4.094,26 4.837,27 5.055,28 4.073,29 4.149,30 5.793,31 4.089,32 4.86,33 5.083,34 4.093,35 4.16,36 5.809,37 4.095,38 4.853,39 5.064,40 4.128,41 4.176,42 5.78,43 4.124,44 4.908,45 5.116,46 4.111,47 4.23,48 5.819,49 4.153,50 5.011,51 5.25,52 4.009,53 4.226,54 5.87,55 4.105,56 0.029,57 0.855,58 9.634,59 4.082,60 7.074,61 5.315,62 0.344,63 1.404,64 19.8,65 6.935,66 23.11,67 9.077,68 0.348,69 1.62,70 26.019,71 8.847,72 25.463,73 12.328,74 0.349,75 1.654,76 25.585,77 8.68,78 30.711,79 12.24,80 0.362,81 1.648,82 26.742,83 9.386,84 34.79,85 13.415,86 0.303,87 1.68,88 25.737,89 8.938,90 24.277,91 12.524,92 0.356,93 1.738,94 27.026,95 10.096,96 25.332,97 13.951,98 0.335,99 1.769,100 32.386,101 12.64,102 33.178,103 17.714,105 50,106 0.256,107 0.627,108 0.783,109 0.832,110 0.832,111 0.832,112 3.442,113 0.875,114 -4.14,115 -4.08,116 -3.86,119 43.1,121 1,125 5,142 5,143 2,144 1,145 2,146 2,147 1,150 1,152 1,160 1,172 4,174 4,175 10,178 1,180 1,183 4,186 1,187 6,192 2,195 4,198 3,199 8,204 1,207 7,211 3,212 8,220 1,223 1,224 10,227 1,229 1,232 2,236 4,237 2,242 1,245 4,249 2,250 4,253 3,258 2,263 7,275 1420,276 21.223,277 21.223,278 21.223,279 21.223,280 21.223,281 18.747,282 21.689,283 12.601,284 21.899,285 17.356,286 17.356,287 17.356,288 17.356,289 17.356,290 13.568,291 33.755,292 6.032,293 18.44,294 4.118,295 1.87,296 0.924,297 0.627,298 0.627,299 0.627,300 4.17,304 1,305 1,306 642,307 2.236,310 120.455,311 296.291,314 209.327,318 1.356,319 20.312,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 280,332 4.61,333 3.48,334 6.905,335 4.248,336 3.293,337 4.422,338 0.86,339 11.626,340 3.154,341 4.399,342 3.09,343 6.363,344 3.921,345 2.957,346 4.185,347 0.8,348 9.739,349 2.845,350 4.067,351 2.991,352 6.158,353 3.728,354 2.803,355 3.557,356 0.8,357 9.114,358 2.61,359 3.878,360 2.77,361 6.075,362 3.591,363 2.643,364 3.21,366 8.785,367 2.478,368 3.642,369 2.312,370 5.545,371 3.219,372 2.247,373 3.027,375 7.047,376 2.184,377 3.104,378 2.293,379 4.769,380 2.737,381 1.834,382 2.324,384 4.84,385 1.653,386 3.034,387 1.822,388 4.524,389 2.641,390 1.692,391 2.3,393 4.662,394 1.6,395 2.971,396 1.641,397 4.369,398 2.498,399 1.534,400 2.027,402 4.19,403 1.477,404 2.836,405 1.534,406 4.134,407 2.315,408 1.385,409 1.986,411 3.482,412 1.285,413 2.552,414 1.409,415 3.746,416 2.152,417 1.247,418 1.576,420 2.9,421 1.125,422 2.5,423 1.256,424 3.491,425 1.992,426 1.065,427 1.5,428 2.512,429 0.985,430 2.337,431 1.153,432 3.464,433 1.984,434 1,435 1.326,436 2.43,437 0.983,438 2.214,439 1.097,440 3.407,441 1.952,442 1,443 1.169,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.921,451 1,452 1,454 2.136,455 0.915,456 1.961,457 0.844,458 3.247,459 1.628,460 0.682,461 0.824,463 1.851,464 0.644,465 14.133,466 0.471,467 0.565,468 0.019,469 43,470 1.433,471 21,472 0.7,473 22,474 0.733,475 23.409,476 0.78,477 30.867,478 0.605,479 30.76,480 1.025,481 8.316,482 0.277,483 6.549,484 0.218,487 0.34,493 0.926,494 1.504,495 0.707,496 1.123,497 0.744,498 0.92,499 1.262,500 0.979,501 0.913,502 0.853,503 0.993,504 0.841,505 1.121,506 1.116,507 0.963,508 0.938,509 0.978,510 0.929,511 0.946,512 0.994,513 1.044,514 0.962,515 1.227,516 0.994,517 0.752,518 1.05,519 0.917,520 0.975,521 0.922,522 0.963,523 0.956,524 1.071,525 0.985,526 0.991,527 0.801,528 0.981,529 0.832,530 1.033,531 1.093,532 1.132,533 0.851,534 1.144,535 0.639,536 1.011,537 1.029,538 1.254,539 0.753,540 1.218,541 4,542 0.076,543 3.333,544 1.479,545 1.28,546 1.181,547 0.774,548 0.378,549 0.202,550 0.151,551 11929,552 29463,553 2.289,554 41.2,556 15,558 3,559 1,561 2,564 1.737,565 2.25,566 3.218,567 -0.316,568 1,569 1,573 79.296,574 1.555,575 3.802,576 4.749,577 5.045,578 5.045,579 5.045,580 2.536,581 4.415,582 4.876,583 3.381,584 1470.54,585 8.558,586 19683.7,588 1,590 1,591 289.294,592 0.918,593 4.879,594 0.114,595 0.004,596 0.067,597 0.03,598 0.027,599 0.024,600 0.015,601 0.008,602 0.005,603 0.005,604 0.298,605 0.5,606 0.88,608 150.34,609 -0.045,610 -0.345,611 0.089,612 -0.136,613 0.05,614 -0.025,615 -0.056,616 0.129,617 -0.009,618 0.09,619 -0.003,620 0.048,621 -0.115,622 -0.091,623 -0.017,624 0.033,625 -0.054,626 0.023,627 -0.099,628 0.07,629 -0.116,630 -0.01,631 -0.227,632 -0.053,633 0.071,634 -0.032,635 0.027,636 0.006,637 0.027,638 0.011,639 -0.091,640 -0.015,641 -0.062,642 -0.028,643 0.001,644 -0.035,645 0.001,647 -0.177,648 -0.145,649 -0.035,650 -0.18,651 0.146,652 -0.091,653 -0.055,654 -0.221,655 0.081,656 -0.18,657 0.907,658 2.04,659 1,660 27.378,661 1.004,662 1.129,663 2.906,664 8.444,665 0.683,666 3.584,667 3.932,668 4.29,669 4.625,670 4.898,671 5.081,672 5.347,673 5.565,674 5.71,675 5.881,676 5.952,677 0.658,678 399.5,679 3.584,680 5.142,681 6.028,682 6.929,683 7.832,684 8.743,685 9.655,686 10.572,687 11.489,688 12.41,689 13.7,695 1,697 2,699 4,703 2,704 8,705 4,706 1,709 6,711 22,726 2,731 51,733 22,734 1,735 35,737 56,738 22,739 16,740 3,741 3,746 6,747 8,755 1,758 1,761 16,762 6,778 1,781 21,782 7,783 1,784 8,787 1,790 7,794 0.667,795 1,805 1,806 1,811 2,812 4,815 2,839 1,840 4,848 30,854 6,856 1,859 2,870 2,874 1,877 13.333,878 9.283,879 6.444,880 3.171,881 3.937,882 1.47,883 1.067,884 4.363,885 12.322,886 3.85,887 4.48,888 5.135,889 5.774,890 6.341,891 6.736,892 7.27,893 7.765,894 8.126,895 8.587,896 0.714,897 50,898 11.073,900 4.818,901 7.511,902 21.643,904 18.465,905 2.011,906 60.333,909 1,910 235.422,911 112.531,912 90.176,914 11,917 112.531,918 246.422,919 90.176,921 18.036,922 47.381,923 122.074,924 55.158,925 6.371,926 200.109,928 235.422,929 202.707,930 11,933 211.88,934 23.542,935 11,937 71.46,938 64.106,939 67.142,941 235.422,942 101.176,943 112.531,946 235.422,947 38.436,948 80.343,949 16.786,950 78.142,951 235.422,952 101.176,953 112.531,955 0.581,956 0.351,957 0.202,958 0.11,959 28,960 10,961 0.054,962 3,963 2,964 1.133,965 4.178,966 299.115,967 0.133,968 30,969 139.207,974 17.812,975 7.349,976 3.147,977 1.966,978 84.391,979 15.711,980 18.647,981 3.162,984 6.079,986 16.786,987 449.129,988 46,999 51.225,1000 57.604,1001 0.274,1002 0.67,1003 0.837,1004 0.889,1005 0.889,1006 0.889,1007 5.097,1008 1.534,1009 6.004,1010 4.662,1011 4.615,1012 5.168,1013 1.481,1014 6.853,1015 4.504,1016 6.294,1017 1.385,1018 7.575,1019 4.19,1020 4.111,1021 4.902,1022 0.57,1023 7.803,1024 3.962,1025 7.603,1026 1.247,1027 9.251,1028 3.482,1029 6.232,1030 7.394,1031 1.104,1032 10.964,1033 6.025,1034 8.953,1035 1.065,1036 10.992,1037 2.9,1038 6.635,1039 8.032,1040 0.479,1041 12.781,1042 6.39,1043 10.34,1044 1,1045 12.775,1046 2.512,1047 8.161,1048 9.94,1049 0.854,1050 15.435,1051 7.866,1052 11.753,1053 1,1054 14.586,1055 2.43,1056 8.972,1057 10.997,1058 0.346,1059 17.593,1060 8.638,1061 13.186,1062 1,1063 16.416,1064 2.136,1065 10.264,1066 12.659,1067 0.661,1068 20.085,1069 9.884,1070 3.293,1071 0.682,1072 18.261,1073 2.136,1074 11.263,1075 13.922,1076 0.237,1077 22.39,1078 10.843,1079 2.957,1080 11.626,1081 20.116,1082 1.851,1083 12.465,1084 15.475,1085 0.505,1086 24.833,1087 12.002,1088 2.803,1089 9.739,1090 21.98,1091 4.422,1092 13.55,1093 16.841,1094 0.158,1095 27.205,1096 13.047,1097 2.643,1098 9.114,1099 23.85,1100 4.185,1101 14.72,1102 18.345,1103 0.382,1104 29.637,1105 14.176,1106 2.247,1107 8.785,1108 25.726,1109 3.557,1110 15.847,1111 19.762,1112 0.104,1113 32.044,1114 15.263,1115 1.834,1116 7.047,1117 27.607,1118 3.21,1119 17.01,1120 21.245,1121 0.285,1122 34.477,1123 16.385,1124 1.692,1125 4.84,1126 29.493,1127 3.027,1128 18.158,1129 22.689,1130 0.068,1131 36.902,1132 17.493,1133 10691,1134 16941,1135 24.849,1136 34.824,1137 53.758,1138 53.79,1139 53.531,1140 53.549,1141 53.541,1142 69.987,1143 4.92,1144 156.839,1145 50.495,1146 5.61,1147 5.48,1148 6.707,1149 5.351,1150 5.293,1151 7.422,1152 1.72,1153 19.186,1154 5.154,1156 1.536,1157 1.537,1158 1.529,1159 1.53,1160 1.53,1161 2,1162 0.141,1163 4.481,1164 1.443,1165 4.131,1166 4.172,1167 4.097,1168 4.02,1169 5.103,1170 4.034,1171 3.98,1172 4.031,1173 3.939,1174 3.834,1175 4.964,1176 3.853,1177 3.811,1178 3.863,1179 3.749,1180 3.662,1181 4.866,1182 3.677,1183 3.709,1184 3.76,1185 3.602,1186 3.517,1187 4.599,1188 3.529,1189 3.397,1190 3.462,1191 3.309,1192 3.223,1193 4.311,1194 3.238,1195 3.232,1196 3.301,1197 3.137,1198 3.006,1199 4.152,1200 3.029,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.888,1206 2.91,1207 2.929,1208 2.993,1209 2.828,1210 2.785,1211 3.74,1212 2.786,1213 0.132,1214 0.099,1215 0.197,1216 0.121,1217 0.094,1218 4.61,1219 0.126,1220 3.48,1221 0.025,1222 6.905,1223 0.332,1224 4.248,1225 0.09,1226 3.293,1227 4.422,1228 0.86,1229 11.626,1230 3.154,1231 1.966,1232 1.942,1233 2.034,1234 2.075,1235 1.219,1236 2.061,1237 1.833,1238 1.792,1239 1.941,1240 1.979,1241 1.176,1242 1.972,1243 1.743,1244 1.693,1245 1.917,1246 1.952,1247 1.083,1248 1.945,1249 1.603,1250 1.557,1251 1.774,1252 1.78,1253 0.969,1254 1.774,1255 1.381,1256 1.304,1257 1.577,1258 1.644,1259 0.825,1260 1.63,1261 1.353,1262 1.274,1263 1.513,1264 1.612,1265 0.695,1266 1.6,1267 1.153,1268 1.064,1269 1.504,1270 1.376,1271 0.449,1272 1.429,1273 0.934,1274 0.888,1275 1.181,1276 1.166,1277 0.274,1278 1.145,1279 4.263,1281 5.602,1282 3.045,1283 7.148,1284 5.352,1285 8.785,1286 7.424,1287 10.472,1295 4.761,1297 5.532,1300 4.475,1305 33.552,1306 79.296,1307 193.91,1308 242.174,1309 257.294,1310 257.294,1311 257.294,1312 32.495,1313 8.385,1314 83.06,1315 83.06,1316 34,1317 12.919,1318 4.524,1319 3.585,1320 37.38,1321 106,1322 106,1323 0.172,1324 199.724,1325 330.79,1326 479.086,1327 50272,1329 19.916,1330 0.664,1331 0.548,1332 19.916,1333 16.453,1334 14.865,1335 0.425,1336 0.292,1337 10.039,1338 14.2,1339 9.901,1340 8.079,1341 14.865,1342 10.214,1343 13.285,1344 0.266,1345 0.15,1346 13.285,1347 7.515,1348 12.141,1349 0.169,1350 0.08,1351 12.141,1352 5.778,1353 10.79,1354 0.107,1355 0.042,1356 10.79,1357 4.242,1358 8.928,1359 0.067,1360 0.022,1361 8.928,1362 2.863,1363 0.26,1364 93.529,1365 0.201,1366 27.673,1367 0.503,1368 170,1369 461.939,1370 187.255,1371 447.115,1372 637.98,1373 426,1374 207,1375 492.157,1376 225.949,1377 495.778,1378 738.19,1379 470,1380 6.523}
{0 CHEMBL2314277,1 1.555,2 9.333,3 3.369,4 11.352,5 115.55,6 7.833,7 0.629,8 4.08,9 4.203,10 3.717,11 3.608,12 5.149,13 3.613,14 4.637,15 4.81,16 4.088,17 4.027,18 5.657,19 4.015,20 4.837,21 5.048,22 4.104,23 4.145,24 5.772,25 4.095,26 4.838,27 5.057,28 4.076,29 4.143,30 5.796,31 4.085,32 4.861,33 5.085,34 4.093,35 4.157,36 5.81,37 4.094,38 4.853,39 5.064,40 4.128,41 4.176,42 5.78,43 4.124,44 4.908,45 5.116,46 4.111,47 4.23,48 5.819,49 4.153,50 5.011,51 5.25,52 4.009,53 4.226,54 5.87,55 4.105,56 0.052,57 0.856,58 9.662,59 4.15,60 7.741,61 5.374,62 0.321,63 1.399,64 19.715,65 6.95,66 22.241,67 9.102,68 0.338,69 1.617,70 25.924,71 8.926,72 25.165,73 12.424,74 0.349,75 1.658,76 25.643,77 8.597,78 30.913,79 12.157,80 0.371,81 1.651,82 26.836,83 9.307,84 35.087,85 13.32,86 0.303,87 1.68,88 25.737,89 8.938,90 24.277,91 12.524,92 0.356,93 1.738,94 27.026,95 10.096,96 25.332,97 13.951,98 0.335,99 1.769,100 32.386,101 12.64,102 33.178,103 17.714,105 50,106 0.256,107 0.637,108 0.783,109 0.832,110 0.832,111 0.832,112 3.442,113 0.876,114 -4.14,115 -4.08,116 -3.86,119 43.1,121 1,125 5,142 5,143 3,144 1,145 2,146 2,147 1,150 1,151 1,168 1,172 5,174 4,175 11,180 1,183 6,186 1,187 6,192 2,195 5,198 3,199 8,204 2,207 7,211 3,212 9,220 2,223 1,224 10,227 1,229 1,232 3,236 4,237 5,242 1,245 4,249 2,250 4,253 3,258 2,263 7,271 2,275 1420,276 21.223,277 21.223,278 21.223,279 21.223,280 21.223,281 18.747,282 21.689,283 12.601,284 21.834,285 17.356,286 17.356,287 17.356,288 17.356,289 17.356,290 13.568,291 33.755,292 6.032,293 18.337,294 4.118,295 1.807,296 0.924,297 0.627,298 0.627,299 0.627,300 4.17,304 1,305 1,306 642,307 2.236,310 120.455,311 296.291,314 209.327,318 1.356,319 19.803,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 280,332 4.61,333 3.48,334 6.905,335 4.248,336 3.293,337 4.422,338 0.86,339 11.626,340 3.156,341 4.399,342 3.09,343 6.363,344 3.932,345 2.957,346 4.185,347 0.8,348 9.739,349 2.877,350 4.067,351 2.991,352 6.158,353 3.73,354 2.803,355 3.557,356 0.8,357 9.114,358 2.622,359 3.878,360 2.77,361 6.075,362 3.595,363 2.643,364 3.21,366 8.785,367 2.483,368 3.642,369 2.312,370 5.545,371 3.222,372 2.247,373 3.027,375 7.047,376 2.191,377 3.104,378 2.293,379 4.769,380 2.737,381 1.834,382 2.324,384 4.84,385 1.654,386 3.034,387 1.822,388 4.524,389 2.644,390 1.692,391 2.3,393 4.662,394 1.604,395 2.971,396 1.641,397 4.369,398 2.515,399 1.534,400 2.027,402 4.19,403 1.502,404 2.836,405 1.534,406 4.134,407 2.318,408 1.385,409 1.986,411 3.482,412 1.29,413 2.552,414 1.409,415 3.746,416 2.156,417 1.247,418 1.576,420 2.9,421 1.129,422 2.5,423 1.256,424 3.491,425 2.02,426 1.065,427 1.5,428 2.512,429 1.014,430 2.337,431 1.153,432 3.464,433 1.984,434 1,435 1.326,436 2.43,437 0.983,438 2.214,439 1.097,440 3.407,441 1.952,442 1,443 1.169,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.921,451 1,452 1,454 2.136,455 0.915,456 1.961,457 0.844,458 3.247,459 1.635,460 0.682,461 0.824,463 1.851,464 0.648,465 14.133,466 0.471,467 0.565,468 0.019,469 42.5,470 1.417,471 21,472 0.7,473 21.5,474 0.717,475 23.653,476 0.788,477 30.867,478 0.605,479 30.516,480 1.017,481 8.245,482 0.275,483 6.621,484 0.221,487 0.34,493 0.862,494 1.394,495 0.705,496 1.093,497 0.716,498 0.911,499 1.28,500 1.011,501 0.914,502 0.861,503 1.006,504 0.843,505 1.096,506 1.127,507 0.957,508 0.953,509 0.966,510 0.939,511 0.96,512 1.019,513 1.045,514 0.969,515 1.229,516 0.996,517 0.776,518 1.039,519 0.922,520 0.96,521 0.934,522 0.954,523 0.956,524 1.071,525 0.985,526 0.991,527 0.801,528 0.981,529 0.832,530 1.033,531 1.093,532 1.132,533 0.851,534 1.144,535 0.639,536 1.011,537 1.029,538 1.254,539 0.753,540 1.218,541 4,542 0.076,543 3.333,544 1.479,545 1.28,546 1.181,547 0.774,548 0.378,549 0.202,550 0.151,551 11929,552 29468,553 2.289,554 41.2,556 15,557 1,558 2,559 1,561 2,564 1.737,565 2.25,566 3.218,567 -0.316,568 1,569 1,573 79.296,574 1.555,575 3.866,576 4.749,577 5.045,578 5.045,579 5.045,580 2.536,581 4.415,582 4.876,583 3.381,584 1470.54,585 8.558,586 19683.7,588 1,590 1,591 289.294,592 0.918,593 4.879,594 0.114,595 0.004,596 0.067,597 0.03,598 0.027,599 0.024,600 0.015,601 0.008,602 0.005,603 0.005,604 0.298,605 0.5,606 0.88,608 150.34,609 0.02,610 -0.232,611 0.091,612 -0.105,613 0.078,614 -0.016,615 -0.093,616 0.093,617 -0.013,618 0.087,619 -0.024,620 0.051,621 -0.103,622 -0.104,623 -0.013,624 0.022,625 -0.049,626 0.016,627 -0.1,628 0.047,629 -0.114,630 -0.022,631 -0.223,632 -0.059,633 0.059,634 -0.019,635 0.023,636 0.017,637 0.021,638 0.018,639 -0.091,640 -0.015,641 -0.062,642 -0.028,643 0.001,644 -0.035,645 0.001,647 -0.177,648 -0.145,649 -0.035,650 -0.18,651 0.146,652 -0.091,653 -0.055,654 -0.221,655 0.081,656 -0.18,657 0.907,658 2.04,659 1,660 27.378,661 1.004,662 1.129,663 2.906,664 8.444,665 0.683,666 3.584,667 3.932,668 4.29,669 4.625,670 4.898,671 5.081,672 5.347,673 5.565,674 5.71,675 5.881,676 5.952,677 0.658,678 399.5,679 3.584,680 5.142,681 6.028,682 6.929,683 7.832,684 8.743,685 9.655,686 10.572,687 11.489,688 12.41,689 13.7,695 1,697 2,699 4,703 2,704 8,705 4,706 1,709 6,711 22,726 2,731 51,733 22,734 1,735 35,737 56,738 22,739 16,740 3,741 3,746 6,747 8,755 1,758 1,761 16,762 6,778 1,781 21,782 7,783 1,784 8,790 7,794 0.667,795 1,803 1,805 1,806 1,811 2,812 4,815 2,839 1,840 4,848 30,854 6,856 1,859 2,870 2,874 1,877 13.333,878 9.283,879 6.444,880 3.175,881 3.937,882 1.47,883 1.065,884 4.363,885 12.322,886 3.85,887 4.48,888 5.135,889 5.774,890 6.341,891 6.736,892 7.27,893 7.765,894 8.126,895 8.587,896 0.714,897 50,898 11.071,900 4.818,901 7.511,902 21.643,904 18.48,905 2.011,906 60.333,908 1,909 1,910 235.422,911 113.389,912 89.931,914 11,917 113.389,918 246.422,919 89.931,921 18.036,922 56.429,923 101.562,924 57.608,925 15.998,926 200.109,928 235.422,929 203.32,930 11,933 211.88,934 23.542,935 11,937 62.719,938 73.582,939 67.02,941 235.422,942 100.931,943 113.389,946 235.422,947 38.865,948 80.772,949 16.663,950 78.019,951 235.422,952 100.931,953 113.389,955 0.581,956 0.351,957 0.202,958 0.11,959 28,960 10,961 0.054,962 3,963 2,964 1.133,965 4.178,966 299.115,967 0.133,968 30,969 139.207,974 17.812,975 7.349,976 3.147,977 2.035,978 84.268,979 15.932,980 18.578,981 2.941,984 6.079,986 16.663,987 449.742,988 46,999 51.225,1000 57.604,1001 0.274,1002 0.682,1003 0.837,1004 0.889,1005 0.889,1006 0.889,1007 5.097,1008 1.534,1009 6.004,1010 4.662,1011 4.615,1012 5.168,1013 1.481,1014 6.853,1015 4.515,1016 6.294,1017 1.385,1018 7.575,1019 4.19,1020 4.111,1021 4.902,1022 0.57,1023 7.803,1024 3.974,1025 7.603,1026 1.247,1027 9.251,1028 3.482,1029 6.232,1030 7.394,1031 1.104,1032 10.964,1033 6.044,1034 8.953,1035 1.065,1036 10.992,1037 2.9,1038 6.635,1039 8.032,1040 0.479,1041 12.781,1042 6.411,1043 10.34,1044 1,1045 12.775,1046 2.512,1047 8.161,1048 9.94,1049 0.854,1050 15.435,1051 7.891,1052 11.753,1053 1,1054 14.586,1055 2.43,1056 8.972,1057 10.997,1058 0.346,1059 17.593,1060 8.666,1061 13.186,1062 1,1063 16.416,1064 2.136,1065 10.264,1066 12.659,1067 0.661,1068 20.085,1069 9.915,1070 3.293,1071 0.682,1072 18.261,1073 2.136,1074 11.263,1075 13.922,1076 0.237,1077 22.39,1078 10.877,1079 2.957,1080 11.626,1081 20.116,1082 1.851,1083 12.465,1084 15.475,1085 0.505,1086 24.833,1087 12.037,1088 2.803,1089 9.739,1090 21.98,1091 4.422,1092 13.55,1093 16.841,1094 0.158,1095 27.205,1096 13.084,1097 2.643,1098 9.114,1099 23.85,1100 4.185,1101 14.72,1102 18.345,1103 0.382,1104 29.637,1105 14.215,1106 2.247,1107 8.785,1108 25.726,1109 3.557,1110 15.847,1111 19.762,1112 0.104,1113 32.044,1114 15.302,1115 1.834,1116 7.047,1117 27.607,1118 3.21,1119 17.01,1120 21.245,1121 0.285,1122 34.477,1123 16.425,1124 1.692,1125 4.84,1126 29.493,1127 3.027,1128 18.158,1129 22.689,1130 0.068,1131 36.902,1132 17.533,1133 10691,1134 16944,1135 24.849,1136 34.824,1137 53.758,1138 53.79,1139 53.531,1140 53.581,1141 53.541,1142 69.987,1143 4.92,1144 156.839,1145 50.779,1146 5.61,1147 5.48,1148 6.707,1149 5.351,1150 5.293,1151 7.422,1152 1.72,1153 19.186,1154 5.156,1156 1.536,1157 1.537,1158 1.529,1159 1.531,1160 1.53,1161 2,1162 0.141,1163 4.481,1164 1.451,1165 4.129,1166 4.169,1167 4.095,1168 4.027,1169 5.113,1170 4.038,1171 3.978,1172 4.029,1173 3.938,1174 3.838,1175 4.968,1176 3.855,1177 3.811,1178 3.863,1179 3.749,1180 3.664,1181 4.867,1182 3.678,1183 3.709,1184 3.76,1185 3.602,1186 3.517,1187 4.599,1188 3.53,1189 3.401,1190 3.471,1191 3.314,1192 3.221,1193 4.349,1194 3.235,1195 3.236,1196 3.308,1197 3.14,1198 2.999,1199 4.154,1200 3.025,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.866,1206 2.91,1207 2.927,1208 2.988,1209 2.829,1210 2.79,1211 3.703,1212 2.789,1213 0.132,1214 0.099,1215 0.197,1216 0.121,1217 0.094,1218 4.61,1219 0.126,1220 3.48,1221 0.025,1222 6.905,1223 0.332,1224 4.248,1225 0.09,1226 3.293,1227 4.422,1228 0.86,1229 11.626,1230 3.156,1231 1.97,1232 1.949,1233 2.038,1234 2.069,1235 1.223,1236 2.056,1237 1.833,1238 1.793,1239 1.941,1240 1.973,1241 1.18,1242 1.969,1243 1.745,1244 1.697,1245 1.918,1246 1.947,1247 1.09,1248 1.942,1249 1.606,1250 1.561,1251 1.777,1252 1.767,1253 0.974,1254 1.766,1255 1.381,1256 1.305,1257 1.579,1258 1.691,1259 0.825,1260 1.646,1261 1.341,1262 1.256,1263 1.513,1264 1.613,1265 0.704,1266 1.61,1267 1.153,1268 1.064,1269 1.492,1270 1.376,1271 0.455,1272 1.429,1273 0.941,1274 0.896,1275 1.181,1276 1.166,1277 0.274,1278 1.145,1279 4.263,1281 5.602,1282 3.045,1283 7.148,1284 5.352,1285 8.785,1286 7.424,1287 10.472,1295 4.761,1297 5.532,1300 4.475,1305 33.552,1306 79.296,1307 197.155,1308 242.174,1309 257.294,1310 257.294,1311 257.294,1312 32.773,1313 8.385,1314 83.06,1315 83.06,1316 34,1317 12.919,1318 4.524,1319 3.585,1320 37.38,1321 106,1322 106,1323 0.172,1324 199.724,1325 330.79,1326 479.086,1327 50272,1329 19.916,1330 0.664,1331 0.548,1332 19.916,1333 16.453,1334 14.865,1335 0.425,1336 0.292,1337 10.045,1338 14.196,1339 9.905,1340 8.084,1341 14.865,1342 10.218,1343 13.285,1344 0.266,1345 0.151,1346 13.285,1347 7.54,1348 12.141,1349 0.169,1350 0.08,1351 12.141,1352 5.792,1353 10.79,1354 0.107,1355 0.042,1356 10.79,1357 4.244,1358 8.928,1359 0.067,1360 0.022,1361 8.928,1362 2.868,1363 0.26,1364 93.575,1365 0.201,1366 27.673,1367 0.503,1368 170,1369 461.939,1370 186.866,1371 447.423,1372 638.3,1373 426,1374 207,1375 493.89,1376 225.838,1377 496.89,1378 738.37,1379 471,1380 4.301}
{0 CHEMBL2314278,1 1.555,2 9.333,3 3.232,4 10.446,5 115.799,6 7.833,7 0.629,8 4.08,9 4.203,10 3.717,11 3.608,12 5.15,13 3.613,14 4.637,15 4.81,16 4.088,17 4.027,18 5.654,19 4.015,20 4.838,21 5.046,22 4.105,23 4.149,24 5.774,25 4.098,26 4.852,27 5.076,28 4.074,29 4.151,30 5.801,31 4.09,32 4.851,33 5.071,34 4.09,35 4.161,36 5.797,37 4.097,38 4.86,39 5.072,40 4.127,41 4.187,42 5.789,43 4.132,44 4.91,45 5.114,46 4.107,47 4.241,48 5.803,49 4.162,50 5.034,51 5.28,52 4.016,53 4.23,54 5.897,55 4.108,56 0.052,57 0.856,58 9.662,59 4.15,60 7.908,61 5.374,62 0.321,63 1.399,64 19.715,65 6.95,66 21.971,67 9.102,68 0.335,69 1.621,70 25.799,71 8.93,72 24.989,73 12.403,74 0.366,75 1.669,76 26.325,77 8.784,78 31.815,79 12.456,80 0.334,81 1.637,82 26.333,83 9.309,84 33.031,85 13.284,86 0.335,87 1.689,88 25.999,89 9.105,90 26.351,91 12.705,92 0.258,93 1.733,94 26.799,95 10.308,96 21.334,97 14.28,98 0.44,99 1.806,100 33.654,101 12.803,102 37.167,103 17.967,105 50,106 0.256,107 0.628,108 0.774,109 0.832,110 0.832,111 0.832,112 3.442,113 0.875,114 -4.14,115 -4.08,116 -3.86,119 43.1,121 1,125 5,142 5,143 3,144 1,145 3,146 1,147 1,150 1,152 1,168 1,172 5,174 4,175 10,180 2,183 6,186 1,187 6,192 2,195 5,198 3,199 10,204 1,207 8,211 2,212 7,220 2,223 2,224 13,227 1,229 1,232 2,236 1,237 3,242 1,245 4,249 5,250 4,253 3,258 4,263 6,275 1420,276 21.223,277 21.223,278 21.223,279 21.223,280 21.223,281 18.747,282 21.689,283 12.601,284 21.834,285 17.356,286 17.356,287 17.356,288 17.356,289 17.356,290 13.568,291 33.755,292 6.032,293 18.339,294 4.118,295 1.861,296 0.978,297 0.627,298 0.627,299 0.627,300 4.17,304 1,305 1,306 642,307 2.236,310 120.455,311 296.291,314 209.327,318 1.356,319 19.632,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 280,332 4.61,333 3.48,334 6.905,335 4.248,336 3.293,337 4.422,338 0.86,339 11.626,340 3.157,341 4.399,342 3.09,343 6.363,344 3.932,345 2.957,346 4.185,347 0.8,348 9.739,349 2.879,350 4.067,351 2.991,352 6.158,353 3.73,354 2.803,355 3.557,356 0.8,357 9.114,358 2.62,359 3.878,360 2.77,361 6.075,362 3.594,363 2.643,364 3.21,366 8.785,367 2.482,368 3.642,369 2.312,370 5.545,371 3.221,372 2.247,373 3.027,375 7.047,376 2.189,377 3.104,378 2.293,379 4.769,380 2.737,381 1.834,382 2.324,384 4.84,385 1.654,386 3.034,387 1.822,388 4.524,389 2.643,390 1.692,391 2.3,393 4.662,394 1.603,395 2.971,396 1.641,397 4.369,398 2.517,399 1.534,400 2.027,402 4.19,403 1.507,404 2.836,405 1.534,406 4.134,407 2.319,408 1.385,409 1.986,411 3.482,412 1.29,413 2.552,414 1.409,415 3.746,416 2.157,417 1.247,418 1.576,420 2.9,421 1.13,422 2.5,423 1.256,424 3.491,425 2.024,426 1.065,427 1.5,428 2.512,429 1.018,430 2.337,431 1.153,432 3.464,433 1.984,434 1,435 1.326,436 2.43,437 0.983,438 2.214,439 1.097,440 3.407,441 1.952,442 1,443 1.169,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.921,451 1,452 1,454 2.136,455 0.915,456 1.961,457 0.844,458 3.247,459 1.63,460 0.682,461 0.824,463 1.851,464 0.644,465 14.133,466 0.471,467 0.565,468 0.019,469 42.5,470 1.417,471 21,472 0.7,473 21.5,474 0.717,475 23.682,476 0.789,477 30.867,478 0.605,479 30.487,480 1.016,481 8.25,482 0.275,483 6.615,484 0.22,487 0.34,493 0.862,494 1.394,495 0.705,496 1.093,497 0.71,498 0.911,499 1.28,500 1.011,501 0.914,502 0.861,503 1.015,504 0.843,505 1.098,506 1.14,507 0.972,508 0.972,509 0.941,510 0.958,511 0.956,512 0.967,513 1.033,514 0.931,515 1.23,516 0.968,517 0.772,518 1.083,519 0.924,520 0.989,521 0.939,522 0.973,523 0.932,524 0.991,525 0.996,526 0.966,527 0.789,528 0.975,529 0.825,530 1.182,531 1.085,532 1.215,533 0.784,534 1.19,535 0.63,536 0.875,537 1.033,538 1.18,539 0.756,540 1.177,541 4,542 0.076,543 3.333,544 1.479,545 1.28,546 1.181,547 0.774,548 0.378,549 0.202,550 0.151,551 11929,552 29627,553 2.289,554 41.2,556 15,558 3,559 1,561 2,564 1.737,565 2.25,566 3.218,567 -0.316,568 1,569 1,573 79.296,574 1.555,575 3.812,576 4.694,577 5.045,578 5.045,579 5.045,580 2.536,581 4.415,582 4.876,583 3.381,584 1470.54,585 8.558,586 19683.7,588 1,590 1,591 289.294,592 0.918,593 4.879,594 0.114,595 0.004,596 0.067,597 0.03,598 0.027,599 0.024,600 0.015,601 0.008,602 0.005,603 0.005,604 0.298,605 0.5,606 0.88,608 150.34,609 0.02,610 -0.232,611 0.091,612 -0.105,613 0.085,614 -0.016,615 -0.093,616 0.093,617 -0.013,618 0.087,619 -0.036,620 0.051,621 -0.107,622 -0.114,623 -0.032,624 0.004,625 -0.046,626 -0.004,627 -0.1,628 0.09,629 -0.095,630 0.019,631 -0.218,632 -0.024,633 0.038,634 -0.064,635 0.013,636 -0.005,637 -0.006,638 0.002,639 -0.071,640 0.065,641 -0.072,642 -0.001,643 0.012,644 -0.028,645 -0.048,646 -0.163,647 -0.178,648 -0.211,649 -0.035,650 -0.212,651 0.193,652 0.049,653 -0.046,654 -0.159,655 0.105,656 -0.146,657 0.903,658 2.047,659 1,660 27.378,661 1.004,662 1.129,663 2.906,664 8.444,665 0.683,666 3.584,667 3.932,668 4.29,669 4.625,670 4.898,671 5.081,672 5.347,673 5.565,674 5.71,675 5.881,676 5.952,677 0.658,678 399.5,679 3.584,680 5.142,681 6.028,682 6.929,683 7.832,684 8.743,685 9.655,686 10.572,687 11.489,688 12.41,689 13.7,695 1,697 2,699 4,703 2,704 8,705 4,706 1,709 6,711 22,726 2,731 51,733 22,734 1,735 35,737 56,738 22,739 16,740 3,741 3,746 6,747 8,755 1,758 1,761 16,762 6,778 1,781 21,782 7,783 1,784 8,790 7,794 0.667,795 1,803 1,805 1,806 1,811 2,812 4,815 2,839 1,840 4,848 30,854 6,856 1,859 2,870 2,874 1,877 13.333,878 9.283,879 6.444,880 3.171,881 3.937,882 1.47,883 1.065,884 4.363,885 12.322,886 3.85,887 4.48,888 5.135,889 5.774,890 6.341,891 6.736,892 7.27,893 7.765,894 8.126,895 8.587,896 0.714,897 50,898 11.069,900 4.816,901 7.511,902 21.643,904 18.483,905 2.011,906 60.333,909 1,910 235.422,911 113.389,912 89.931,914 11,917 113.389,918 246.422,919 89.931,921 18.036,922 47.381,923 113.333,924 64.512,925 6.371,926 200.109,928 235.422,929 203.32,930 11,933 211.88,934 23.542,935 11,937 69.622,938 66.678,939 67.02,941 235.422,942 100.931,943 113.389,946 235.422,947 38.865,948 80.772,949 16.663,950 78.019,951 235.422,952 100.931,953 113.389,955 0.581,956 0.351,957 0.202,958 0.11,959 28,960 10,961 0.054,962 3,963 2,964 1.133,965 4.178,966 299.115,967 0.133,968 30,969 139.207,974 17.812,975 7.349,976 3.147,977 2.105,978 84.268,979 15.894,980 18.386,981 3.023,984 6.133,986 16.663,987 449.742,988 46,999 51.225,1000 57.604,1001 0.274,1002 0.672,1003 0.828,1004 0.889,1005 0.889,1006 0.889,1007 5.097,1008 1.534,1009 6.004,1010 4.662,1011 4.615,1012 5.168,1013 1.481,1014 6.853,1015 4.515,1016 6.294,1017 1.385,1018 7.575,1019 4.19,1020 4.111,1021 4.902,1022 0.57,1023 7.803,1024 3.974,1025 7.603,1026 1.247,1027 9.251,1028 3.482,1029 6.232,1030 7.394,1031 1.104,1032 10.964,1033 6.044,1034 8.953,1035 1.065,1036 10.992,1037 2.9,1038 6.635,1039 8.032,1040 0.479,1041 12.781,1042 6.411,1043 10.34,1044 1,1045 12.775,1046 2.512,1047 8.161,1048 9.94,1049 0.854,1050 15.435,1051 7.891,1052 11.753,1053 1,1054 14.586,1055 2.43,1056 8.972,1057 10.997,1058 0.346,1059 17.593,1060 8.667,1061 13.186,1062 1,1063 16.416,1064 2.136,1065 10.264,1066 12.659,1067 0.661,1068 20.085,1069 9.916,1070 3.293,1071 0.682,1072 18.261,1073 2.136,1074 11.263,1075 13.922,1076 0.237,1077 22.39,1078 10.878,1079 2.957,1080 11.626,1081 20.116,1082 1.851,1083 12.465,1084 15.475,1085 0.505,1086 24.833,1087 12.039,1088 2.803,1089 9.739,1090 21.98,1091 4.422,1092 13.55,1093 16.841,1094 0.158,1095 27.205,1096 13.086,1097 2.643,1098 9.114,1099 23.85,1100 4.185,1101 14.72,1102 18.345,1103 0.382,1104 29.637,1105 14.217,1106 2.247,1107 8.785,1108 25.726,1109 3.557,1110 15.847,1111 19.762,1112 0.104,1113 32.044,1114 15.305,1115 1.834,1116 7.047,1117 27.607,1118 3.21,1119 17.01,1120 21.245,1121 0.285,1122 34.477,1123 16.428,1124 1.692,1125 4.84,1126 29.493,1127 3.027,1128 18.158,1129 22.689,1130 0.068,1131 36.902,1132 17.537,1133 10691,1134 16987,1135 24.849,1136 34.824,1137 53.758,1138 53.79,1139 53.531,1140 53.573,1141 53.541,1142 69.987,1143 4.92,1144 156.839,1145 50.779,1146 5.61,1147 5.48,1148 6.707,1149 5.352,1150 5.293,1151 7.422,1152 1.72,1153 19.186,1154 5.157,1156 1.536,1157 1.537,1158 1.529,1159 1.531,1160 1.53,1161 2,1162 0.141,1163 4.481,1164 1.451,1165 4.133,1166 4.173,1167 4.099,1168 4.031,1169 5.111,1170 4.042,1171 3.98,1172 4.031,1173 3.939,1174 3.838,1175 4.97,1176 3.856,1177 3.811,1178 3.863,1179 3.749,1180 3.663,1181 4.868,1182 3.677,1183 3.708,1184 3.759,1185 3.602,1186 3.516,1187 4.599,1188 3.529,1189 3.384,1190 3.452,1191 3.3,1192 3.204,1193 4.355,1194 3.219,1195 3.224,1196 3.294,1197 3.134,1198 3.003,1199 4.154,1200 3.024,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.849,1206 2.91,1207 2.956,1208 3.017,1209 2.846,1210 2.819,1211 3.716,1212 2.821,1213 0.132,1214 0.099,1215 0.197,1216 0.121,1217 0.094,1218 4.61,1219 0.126,1220 3.48,1221 0.025,1222 6.905,1223 0.332,1224 4.248,1225 0.09,1226 3.293,1227 4.422,1228 0.86,1229 11.626,1230 3.157,1231 1.978,1232 1.955,1233 2.047,1234 2.076,1235 1.228,1236 2.065,1237 1.834,1238 1.793,1239 1.942,1240 1.98,1241 1.184,1242 1.973,1243 1.746,1244 1.697,1245 1.919,1246 1.952,1247 1.093,1248 1.945,1249 1.604,1250 1.559,1251 1.776,1252 1.777,1253 0.975,1254 1.771,1255 1.377,1256 1.301,1257 1.565,1258 1.629,1259 0.825,1260 1.618,1261 1.309,1262 1.229,1263 1.513,1264 1.612,1265 0.697,1266 1.582,1267 1.153,1268 1.064,1269 1.463,1270 1.376,1271 0.407,1272 1.429,1273 0.99,1274 0.942,1275 1.181,1276 1.168,1277 0.275,1278 1.168,1279 4.263,1281 5.602,1282 3.045,1283 7.148,1284 5.352,1285 8.785,1286 7.424,1287 10.472,1295 4.777,1297 5.533,1300 4.481,1305 33.552,1306 79.296,1307 194.4,1308 239.419,1309 257.294,1310 257.294,1311 257.294,1312 32.699,1313 8.385,1314 83.06,1315 83.06,1316 34,1317 12.919,1318 4.524,1319 3.585,1320 37.38,1321 106,1322 106,1323 0.172,1324 199.724,1325 330.79,1326 479.086,1327 50272,1329 19.916,1330 0.664,1331 0.548,1332 19.916,1333 16.453,1334 14.865,1335 0.425,1336 0.292,1337 10.041,1338 14.196,1339 9.899,1340 8.081,1341 14.865,1342 10.214,1343 13.285,1344 0.266,1345 0.151,1346 13.285,1347 7.553,1348 12.141,1349 0.169,1350 0.081,1351 12.141,1352 5.797,1353 10.79,1354 0.107,1355 0.042,1356 10.79,1357 4.253,1358 8.928,1359 0.067,1360 0.022,1361 8.928,1362 2.874,1363 0.26,1364 93.575,1365 0.201,1366 27.673,1367 0.503,1368 170,1369 461.939,1370 186.866,1371 447.586,1372 637.86,1373 426,1374 207,1375 492.82,1376 225.838,1377 496.377,1378 736.89,1379 470,1380 4.301}
{0 CHEMBL2314279,1 1.573,2 10,3 2.747,4 7.547,5 119.504,6 7.821,7 0.611,8 4.12,9 4.249,10 3.747,11 3.628,12 5.212,13 3.637,14 4.668,15 4.843,16 4.129,17 4.05,18 5.706,19 4.041,20 4.876,21 5.085,22 4.166,23 4.176,24 5.86,25 4.134,26 4.902,27 5.125,28 4.123,29 4.187,30 5.881,31 4.129,32 4.908,33 5.133,34 4.12,35 4.192,36 5.87,37 4.126,38 4.896,39 5.115,40 4.148,41 4.2,42 5.813,43 4.145,44 4.926,45 5.132,46 4.151,47 4.246,48 5.865,49 4.175,50 5.042,51 5.28,52 4.072,53 4.254,54 5.926,55 4.144,56 0.08,57 0.905,58 10.261,59 4.146,60 9.999,61 5.474,62 0.352,63 1.453,64 20.427,65 7.159,66 23.146,67 9.556,68 0.398,69 1.697,70 26.843,71 8.86,72 30.042,73 12.564,74 0.401,75 1.749,76 27.631,77 8.933,78 36.038,79 12.919,80 0.408,81 1.715,82 28.222,83 9.6,84 38.887,85 13.951,86 0.337,87 1.726,88 27.438,89 9.382,90 24.866,91 13.446,92 0.385,93 1.774,94 27.418,95 10.208,96 27.575,97 14.248,98 0.376,99 1.821,100 33.333,101 12.571,102 34.739,103 17.82,104 2,105 52,106 0.257,107 0.652,108 0.786,109 0.833,110 0.833,111 0.833,112 3.473,113 0.869,114 -3.8,115 -3.76,116 -3.58,119 41.5,121 1,125 5,142 5,143 3,144 1,145 2,146 2,147 1,150 1,153 1,163 1,164 1,165 1,168 1,172 5,174 4,175 11,179 1,180 2,182 1,183 6,185 1,186 1,187 6,189 1,190 1,192 3,195 5,197 1,198 3,199 8,204 4,207 7,209 2,211 3,212 9,217 1,220 2,222 1,223 1,224 10,227 1,229 1,232 3,236 4,237 5,239 1,240 1,242 2,245 4,247 1,249 2,250 4,253 3,255 1,258 2,260 1,263 7,265 3,266 3,271 2,275 1588,276 21.723,277 21.723,278 21.723,279 21.723,280 21.723,281 19.202,282 24.852,283 12.773,284 22.365,285 17.823,286 17.823,287 17.823,288 17.823,289 17.823,290 13.959,291 36.255,292 6.1,293 18.852,294 4.155,295 1.746,296 0.927,297 0.642,298 0.642,299 0.642,300 4.199,304 1,305 1,306 706,307 2.345,310 125.279,311 308.427,314 218.344,318 1.419,319 22.998,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 67,331 310,332 4.626,333 3.481,334 6.906,335 4.251,336 3.295,337 4.52,338 0.86,339 11.628,340 3.163,341 4.493,342 3.112,343 6.505,344 4.032,345 3.061,346 4.22,347 0.8,348 10.158,349 2.967,350 4.08,351 3.078,352 6.303,353 3.751,354 2.818,355 3.565,356 0.8,357 9.492,358 2.651,359 3.895,360 2.839,361 6.096,362 3.623,363 2.681,364 3.257,366 8.883,367 2.495,368 3.672,369 2.364,370 5.572,371 3.258,372 2.282,373 3.045,375 7.145,376 2.225,377 3.252,378 2.296,379 4.986,380 2.798,381 1.862,382 2.547,384 5.476,385 1.746,386 3.078,387 1.937,388 4.692,389 2.723,390 1.811,391 2.319,393 4.681,394 1.641,395 2.974,396 1.737,397 4.515,398 2.596,399 1.638,400 2.072,402 4.543,403 1.567,404 2.896,405 1.638,406 4.142,407 2.399,408 1.445,409 2.023,411 3.624,412 1.375,413 2.695,414 1.468,415 4.103,416 2.235,417 1.298,418 1.78,420 3.4,421 1.213,422 2.5,423 1.311,424 3.732,425 2.116,426 1.199,427 1.5,428 2.864,429 1.094,430 2.337,431 1.256,432 3.491,433 1.984,434 1,435 1.326,436 2.511,437 0.983,438 2.215,439 1.141,440 3.439,441 1.952,442 1,443 1.169,445 2.136,446 0.946,447 2.102,448 1,449 3.247,450 1.922,451 1,452 1,454 2.136,455 0.916,456 2,457 0.846,458 3.247,459 1.663,460 0.696,461 0.937,463 1.866,464 0.671,465 14.533,466 0.469,467 0.654,468 0.021,469 43.75,470 1.411,471 21.5,472 0.694,473 22.25,474 0.718,475 24.948,476 0.805,477 32.267,478 0.609,479 32.467,480 1.047,481 8.492,482 0.274,483 6.784,484 0.219,485 0.028,487 0.365,493 0.939,494 1.374,495 0.73,496 1.061,497 0.936,498 0.891,499 1.186,500 1.019,501 0.872,502 0.879,503 0.853,504 0.843,505 1.101,506 1.138,507 0.958,508 0.959,509 0.905,510 0.941,511 0.973,512 1.028,513 1.056,514 0.983,515 1.119,516 1.01,517 0.781,518 1.05,519 0.95,520 0.997,521 0.918,522 0.991,523 0.894,524 1.052,525 0.945,526 0.986,527 0.67,528 0.967,529 0.781,530 1.045,531 1.062,532 1.156,533 0.701,534 1.152,535 0.674,536 1.032,537 1.015,538 1.249,539 0.748,540 1.204,541 4.5,542 0.142,543 3.778,544 1.951,545 1.32,546 1.268,547 0.83,548 0.428,549 0.26,550 0.236,551 12914,552 32635,553 2.258,554 41.5,556 15,558 2,559 3,561 2,564 1.745,565 2.188,566 3.29,567 0.908,569 1,573 83.365,574 1.573,575 3.982,576 4.801,577 5.086,578 5.086,579 5.086,580 2.701,581 4.632,582 4.923,583 3.442,584 1600.32,585 8.65,586 21884.3,588 1,591 303.58,592 1.123,593 4.916,594 0.125,595 0.006,596 0.073,597 0.037,598 0.026,599 0.025,600 0.016,601 0.008,602 0.006,603 0.007,604 0.329,605 0.5,606 0.88,607 0.32,608 157.282,609 -0.038,610 -0.179,611 0.073,612 -0.058,613 -0.05,614 0.013,615 -0.044,616 0.093,617 0.026,618 0.093,619 0.022,620 0.067,621 -0.1,622 -0.094,623 -0.022,624 0.018,625 -0.004,626 0.009,627 -0.12,628 0.035,629 -0.125,630 -0.024,631 -0.186,632 -0.063,633 0.035,634 -0.029,635 -0.01,636 -0.005,637 -0.039,638 -0.01,639 -0.068,640 -0.013,641 -0.016,642 0.001,643 0.018,644 0.004,645 0.035,646 0.001,647 -0.155,648 -0.15,649 0.034,650 -0.178,651 0.122,652 -0.096,653 -0.049,654 -0.212,655 0.047,656 -0.17,657 1.09,658 2.032,659 0.968,660 29.394,661 1.006,662 1.134,663 2.573,664 6.62,665 0.676,666 3.611,667 3.97,668 4.331,669 4.663,670 4.934,671 5.118,672 5.389,673 5.606,674 5.765,675 5.938,676 6.141,677 0.652,678 414.52,679 3.611,680 5.176,681 6.066,682 6.971,683 7.877,684 8.791,685 9.706,686 10.625,687 11.545,688 12.468,689 15.1,693 1,695 1,697 2,699 4,703 2,704 7,705 4,706 1,709 7,711 22,722 1,726 2,731 53,733 22,734 1,735 36,737 58,738 22,739 16,740 3,741 3,746 6,747 8,755 1,758 1,761 16,762 6,778 1,781 22,782 8,783 3,784 9,790 8,794 0.667,795 1,803 1,805 1,806 1,811 2,812 4,815 2,839 1,840 4,848 31,849 1,854 6,856 1,859 2,870 1.9,874 1,877 14.167,878 9.533,879 6.639,880 3.217,881 3.97,882 1.468,883 1.068,884 4.567,885 12.453,886 3.871,887 4.514,888 5.174,889 5.815,890 6.385,891 6.783,892 7.327,893 7.821,894 8.202,895 8.652,896 0.857,897 53,898 11.431,900 4.992,901 7.565,902 22.211,904 18.962,905 2.065,906 64,909 1,910 223.651,911 106.669,912 122.828,914 11,917 106.669,918 234.651,919 122.828,921 18.036,922 80.278,923 101.562,924 59.936,925 4.227,926 200.109,928 223.651,929 229.498,930 11,933 200.109,934 23.542,935 11,937 65.046,938 97.432,939 67.02,941 223.651,942 133.828,943 106.669,946 223.651,947 41.193,948 71.725,949 16.663,950 110.917,951 223.651,952 133.828,953 106.669,955 0.585,956 0.355,957 0.202,958 0.11,959 29,960 11,961 0.052,962 3,963 2,964 1.133,965 4.222,966 312.947,967 0.133,968 30,969 145.58,974 18.696,975 7.573,976 3.24,977 1.75,978 117.165,979 13.774,980 18.535,981 2.858,984 6.472,986 49.56,987 464.148,988 47,999 53.327,1000 60.102,1001 0.275,1002 0.695,1003 0.838,1004 0.888,1005 0.888,1006 0.888,1007 5.127,1008 1.638,1009 6.052,1010 4.681,1011 4.654,1012 5.201,1013 1.481,1014 6.913,1015 4.551,1016 6.334,1017 1.445,1018 7.634,1019 4.543,1020 4.205,1021 4.997,1022 0.57,1023 7.888,1024 4.061,1025 7.651,1026 1.298,1027 9.319,1028 3.624,1029 6.286,1030 7.446,1031 1.104,1032 11.046,1033 6.095,1034 9.009,1035 1.199,1036 11.068,1037 3.4,1038 6.723,1039 8.131,1040 0.479,1041 12.877,1042 6.496,1043 10.404,1044 1,1045 12.857,1046 2.864,1047 8.232,1048 10.019,1049 0.854,1050 15.532,1051 7.961,1052 11.825,1053 1,1054 14.674,1055 2.511,1056 9.066,1057 11.117,1058 0.346,1059 17.698,1060 8.759,1061 13.265,1062 1,1063 16.509,1064 2.136,1065 10.352,1066 12.774,1067 0.661,1068 20.19,1069 10.004,1070 3.295,1071 0.696,1072 18.359,1073 2.136,1074 11.365,1075 14.073,1076 0.237,1077 22.496,1078 10.982,1079 3.061,1080 11.628,1081 20.218,1082 1.866,1083 12.565,1084 15.63,1085 0.505,1086 24.935,1087 12.143,1088 2.818,1089 10.158,1090 22.086,1091 4.52,1092 13.659,1093 17.027,1094 0.158,1095 27.305,1096 13.201,1097 2.681,1098 9.492,1099 23.96,1100 4.22,1101 14.829,1102 18.542,1103 0.382,1104 29.732,1105 14.334,1106 2.282,1107 8.883,1108 25.84,1109 3.565,1110 15.96,1111 19.987,1112 0.104,1113 32.133,1114 15.428,1115 1.862,1116 7.145,1117 27.724,1118 3.257,1119 17.124,1120 21.486,1121 0.285,1122 34.56,1123 16.554,1124 1.811,1125 5.476,1126 29.611,1127 3.045,1128 18.274,1129 22.954,1130 0.068,1131 36.979,1132 17.667,1133 11657,1134 18673,1135 25.255,1136 35.83,1137 55.542,1138 55.677,1139 55.924,1140 55.392,1141 55.345,1142 72.034,1143 4.92,1144 163.971,1145 52.425,1146 5.626,1147 5.481,1148 6.708,1149 5.355,1150 5.295,1151 7.52,1152 1.72,1153 19.191,1154 5.163,1155 7.503,1156 1.543,1157 1.547,1158 1.553,1159 1.539,1160 1.537,1161 2.001,1162 0.137,1163 4.555,1164 1.456,1165 4.135,1166 4.175,1167 4.104,1168 4.03,1169 5.246,1170 4.042,1171 3.982,1172 4.033,1173 3.944,1174 3.839,1175 4.991,1176 3.858,1177 3.811,1178 3.863,1179 3.75,1180 3.665,1181 4.874,1182 3.679,1183 3.71,1184 3.761,1185 3.603,1186 3.517,1187 4.73,1188 3.53,1189 3.424,1190 3.495,1191 3.341,1192 3.238,1193 4.597,1194 3.256,1195 3.244,1196 3.317,1197 3.147,1198 3.006,1199 4.318,1200 3.031,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.154,1206 2.91,1207 2.956,1208 3.045,1209 2.845,1210 2.797,1211 3.848,1212 2.797,1213 0.128,1214 0.097,1215 0.192,1216 0.118,1217 0.092,1218 4.626,1219 0.126,1220 3.481,1221 0.024,1222 6.906,1223 0.323,1224 4.251,1225 0.088,1226 3.295,1227 4.52,1228 0.86,1229 11.628,1230 3.163,1231 1.971,1232 1.949,1233 2.036,1234 2.07,1235 1.223,1236 2.057,1237 1.833,1238 1.793,1239 1.941,1240 1.975,1241 1.18,1242 1.97,1243 1.746,1244 1.698,1245 1.918,1246 1.949,1247 1.09,1248 1.943,1249 1.607,1250 1.562,1251 1.776,1252 1.785,1253 0.974,1254 1.774,1255 1.392,1256 1.311,1257 1.583,1258 1.722,1259 0.825,1260 1.68,1261 1.364,1262 1.283,1263 1.513,1264 1.613,1265 0.701,1266 1.611,1267 1.153,1268 1.064,1269 1.506,1270 1.376,1271 0.425,1272 1.429,1273 0.959,1274 0.906,1275 1.181,1276 1.21,1277 0.274,1278 1.2,1279 4.29,1281 5.638,1282 3.045,1283 7.191,1284 5.416,1285 8.833,1286 7.526,1287 10.524,1293 5.985,1295 4.651,1297 5.532,1300 4.443,1305 34.574,1306 83.365,1307 211.034,1308 254.46,1309 269.58,1310 269.58,1311 269.58,1312 36.569,1313 8.483,1314 109.08,1315 109.08,1316 34,1317 12.975,1318 4.524,1319 3.585,1320 39.178,1321 112,1322 118,1323 0.169,1324 206.518,1325 341.79,1326 495.664,1327 56466,1329 20.786,1330 0.671,1331 0.547,1332 20.786,1333 16.953,1334 15.276,1335 0.424,1336 0.29,1337 10.248,1338 14.579,1339 10.106,1340 8.251,1341 15.276,1342 10.429,1343 13.812,1344 0.266,1345 0.149,1346 13.812,1347 7.75,1348 12.616,1349 0.168,1350 0.079,1351 12.616,1352 5.941,1353 11.147,1354 0.106,1355 0.041,1356 11.147,1357 4.342,1358 9.24,1359 0.067,1360 0.021,1361 9.24,1362 2.929,1363 0.257,1364 96.282,1365 0.199,1366 28.455,1367 0.492,1368 176,1369 479.251,1370 194.282,1371 465.898,1372 663.41,1373 442,1374 215,1375 515.017,1376 235.198,1377 518.518,1378 770.94,1379 491,1380 4.301}
{0 CHEMBL2314280,1 1.555,2 8.933,3 3.232,4 10.446,5 115.799,6 7.833,7 0.629,8 4.08,9 4.203,10 3.717,11 3.608,12 5.15,13 3.613,14 4.637,15 4.81,16 4.088,17 4.027,18 5.652,19 4.015,20 4.838,21 5.046,22 4.119,23 4.155,24 5.766,25 4.107,26 4.854,27 5.069,28 4.128,29 4.173,30 5.825,31 4.121,32 4.89,33 5.108,34 4.151,35 4.197,36 5.859,37 4.14,38 4.892,39 5.097,40 4.183,41 4.225,42 5.819,43 4.175,44 4.971,45 5.185,46 4.149,47 4.26,48 5.882,49 4.182,50 5.033,51 5.278,52 3.974,53 4.252,54 5.859,55 4.123,56 0.052,57 0.856,58 9.662,59 4.15,60 8.019,61 5.374,62 0.321,63 1.399,64 19.715,65 6.95,66 22.208,67 9.102,68 0.338,69 1.624,70 25.847,71 8.93,72 23.652,73 12.406,74 0.335,75 1.698,76 25.86,77 8.791,78 30.546,79 12.419,80 0.407,81 1.723,82 27.281,83 9.364,84 37.1,85 13.332,86 0.269,87 1.759,88 26.364,89 9.283,90 23.657,91 12.996,92 0.457,93 1.852,94 29.129,95 10.505,96 28.561,97 14.571,98 0.327,99 1.778,100 33.582,101 12.913,102 32.397,103 18.145,105 50,106 0.256,107 0.628,108 0.774,109 0.832,110 0.832,111 0.832,112 3.442,113 0.876,114 -4.14,115 -4.08,116 -3.86,119 43.1,121 1,125 5,142 5,143 3,144 1,145 3,146 1,147 1,150 1,152 1,168 1,172 5,174 4,175 10,180 2,183 6,186 1,187 6,192 2,195 5,198 3,199 9,204 1,207 7,211 3,212 9,215 1,217 1,220 2,223 1,224 10,229 1,232 3,236 4,237 5,240 3,245 4,249 2,250 4,258 2,263 7,268 2,271 2,275 1384,276 21.275,277 21.275,278 21.275,279 21.275,280 21.275,281 18.78,282 21.689,283 12.666,284 21.886,285 17.356,286 17.356,287 17.356,288 17.356,289 17.356,290 13.559,291 33.755,292 6.038,293 18.337,294 4.118,295 1.861,296 0.978,297 0.627,298 0.627,299 0.627,300 4.17,304 1,305 1,306 613,307 2.236,310 111.253,311 293.573,314 202.449,318 1.213,319 19.758,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 268,332 4.671,333 3.489,334 6.965,335 4.285,336 3.322,337 4.549,338 0.86,339 11.844,340 3.214,341 4.42,342 3.122,343 6.611,344 4.005,345 3.039,346 4.132,347 0.8,348 10.545,349 2.928,350 4.041,351 3.065,352 6.168,353 3.714,354 2.796,355 3.538,356 0.8,357 9.124,358 2.58,359 3.837,360 2.706,361 6.02,362 3.525,363 2.565,364 3.137,366 8.535,367 2.442,368 3.58,369 2.297,370 5.474,371 3.144,372 2.176,373 2.977,375 6.798,376 2.104,377 3.098,378 2.217,379 4.831,380 2.735,381 1.832,382 2.329,384 4.9,385 1.65,386 3.047,387 1.801,388 4.533,389 2.632,390 1.68,391 2.31,393 4.666,394 1.595,395 2.971,396 1.64,397 4.247,398 2.535,399 1.548,400 2.027,402 3.704,403 1.527,404 2.835,405 1.548,406 4.044,407 2.318,408 1.385,409 1.983,411 3.452,412 1.289,413 2.5,414 1.409,415 3.748,416 2.15,417 1.244,418 1.5,420 2.908,421 1.122,422 2.5,423 1.256,424 3.491,425 1.984,426 1,427 1.5,428 2.511,429 0.983,430 2.341,431 1.148,432 3.458,433 1.97,434 1,435 1.331,436 2.235,437 0.968,438 2.22,439 1,440 3.397,441 1.952,442 1,443 1.173,445 2.136,446 0.946,447 2.046,448 1,449 3.247,450 1.923,451 1,452 1,454 2.136,455 0.917,456 2,457 0.948,458 3.247,459 1.713,460 0.764,461 0.927,463 2.073,464 0.723,465 14.133,466 0.471,467 0.548,468 0.018,469 42.5,470 1.417,471 21,472 0.7,473 21.5,474 0.717,475 23.9,476 0.797,477 30.867,478 0.605,479 30.726,480 1.024,481 8.266,482 0.276,483 6.616,484 0.221,487 0.34,493 0.862,494 1.394,495 0.705,496 1.093,497 0.705,498 0.911,499 1.28,500 1.011,501 0.914,502 0.861,503 1.028,504 0.843,505 1.094,506 1.114,507 0.943,508 0.935,509 0.942,510 0.921,511 0.92,512 1.048,513 0.989,514 0.961,515 1.152,516 0.968,517 0.81,518 1.019,519 0.939,520 0.943,521 0.992,522 0.947,523 0.956,524 1.171,525 0.985,526 1.046,527 0.817,528 1.013,529 0.837,530 0.981,531 1.134,532 1.128,533 0.824,534 1.163,535 0.735,536 0.944,537 1.064,538 1.186,539 0.812,540 1.181,541 3.5,542 0.048,543 3.333,544 1.535,545 1.155,546 1.097,547 0.797,548 0.378,549 0.16,550 0.109,551 11529,552 28563,553 2.289,554 41.2,556 15,558 3,559 1,561 2,564 1.739,565 2.25,566 3.135,567 -0.316,568 1,569 1,573 79.296,574 1.555,575 3.812,576 4.694,577 5.045,578 5.045,579 5.045,580 2.444,581 4.323,582 4.878,583 3.305,584 1437.8,585 8.567,586 19165.4,588 1,590 1,591 289.294,592 0.918,593 4.879,594 0.1,595 0.003,596 0.067,597 0.03,598 0.023,599 0.021,600 0.015,601 0.008,602 0.004,603 0.004,604 0.273,605 0.5,606 0.88,608 149.536,609 0.02,610 -0.232,611 0.091,612 -0.105,613 0.09,614 -0.016,615 -0.093,616 0.093,617 -0.013,618 0.087,619 -0.049,620 0.051,621 -0.104,622 -0.088,623 -0.002,624 0.041,625 -0.053,626 0.034,627 -0.073,628 0.02,629 -0.064,630 -0.01,631 -0.151,632 -0.029,633 0.055,634 0.023,635 -0.001,636 0.022,637 -0.006,638 0.007,639 -0.109,640 -0.111,641 -0.072,642 -0.08,643 -0.033,644 -0.069,645 0.048,646 0.062,647 -0.205,648 -0.162,649 -0.008,650 -0.212,651 0.028,652 -0.036,653 -0.085,654 -0.146,655 0.008,656 -0.133,657 0.909,658 2.075,659 1,660 26.058,661 1.004,662 1.129,663 2.906,664 8.444,665 0.683,666 3.584,667 3.932,668 4.304,669 4.654,670 4.927,671 5.112,672 5.375,673 5.595,674 5.74,675 5.892,676 5.758,677 0.658,678 399.5,679 3.584,680 5.142,681 6.033,682 6.938,683 7.848,684 8.765,685 9.683,686 10.606,687 11.53,688 12.457,689 13.7,695 1,697 2,699 4,703 2,704 8,705 4,706 1,709 6,711 22,726 2,731 51,733 22,734 1,735 35,737 56,738 22,739 16,740 3,741 3,746 6,747 8,755 1,758 1,761 16,762 6,778 1,781 21,782 7,783 1,784 8,790 7,794 0.667,795 1,803 1,805 1,806 1,811 2,812 4,815 2,839 1,840 4,848 30,854 6,856 1,859 2,870 2,874 1,877 13.333,878 9.283,879 6.472,880 3.178,881 3.965,882 1.473,883 1.065,884 4.363,885 12.351,886 3.85,887 4.48,888 5.148,889 5.805,890 6.374,891 6.766,892 7.288,893 7.773,894 8.128,895 8.565,896 0.833,897 51,898 11.07,900 4.819,901 7.511,902 21.643,904 18.488,905 2.011,906 60.333,909 1,910 235.422,911 113.389,912 89.931,914 11,917 113.389,918 246.422,919 89.931,921 18.036,922 47.381,923 113.333,924 64.512,925 6.371,926 200.109,928 235.422,929 203.32,930 11,933 211.88,934 23.542,935 11,937 69.622,938 66.678,939 67.02,941 235.422,942 100.931,943 113.389,946 235.422,947 38.865,948 80.772,949 16.663,950 78.019,951 235.422,952 100.931,953 113.389,955 0.579,956 0.354,957 0.208,958 0.113,959 28,960 10,961 0.054,962 3,963 2,964 1.133,965 4.129,966 302.784,967 0.133,968 30,969 139.207,974 17.812,975 7.349,976 3.058,977 2.088,978 84.268,979 15.8,980 18.513,981 3.072,984 6.095,986 16.663,987 449.742,988 46,999 51.225,1000 57.604,1001 0.274,1002 0.672,1003 0.828,1004 0.889,1005 0.889,1006 0.889,1007 5.097,1008 1.548,1009 6.009,1010 4.666,1011 4.615,1012 5.168,1013 1.481,1014 6.872,1015 4.515,1016 6.294,1017 1.385,1018 7.587,1019 3.704,1020 4.111,1021 4.902,1022 0.57,1023 7.861,1024 3.974,1025 7.605,1026 1.244,1027 9.274,1028 3.452,1029 6.24,1030 7.403,1031 1.104,1032 11.04,1033 6.053,1034 8.959,1035 1,1036 11.027,1037 2.908,1038 6.661,1039 8.065,1040 0.479,1041 12.903,1042 6.444,1043 10.353,1044 1,1045 12.825,1046 2.511,1047 8.19,1048 9.974,1049 0.854,1050 15.579,1051 7.928,1052 11.774,1053 1,1054 14.651,1055 2.235,1056 9.024,1057 11.066,1058 0.346,1059 17.776,1060 8.735,1061 13.216,1062 1,1063 16.497,1064 2.136,1065 10.322,1066 12.733,1067 0.661,1068 20.292,1069 9.993,1070 3.322,1071 0.764,1072 18.358,1073 2.136,1074 11.342,1075 14.033,1076 0.237,1077 22.627,1078 10.986,1079 3.039,1080 11.844,1081 20.229,1082 2.073,1083 12.552,1084 15.598,1085 0.505,1086 25.093,1087 12.161,1088 2.796,1089 10.545,1090 22.108,1091 4.549,1092 13.656,1093 16.999,1094 0.158,1095 27.49,1096 13.236,1097 2.565,1098 9.124,1099 23.994,1100 4.132,1101 14.836,1102 18.521,1103 0.382,1104 29.941,1105 14.385,1106 2.176,1107 8.535,1108 25.886,1109 3.538,1110 15.978,1111 19.971,1112 0.104,1113 32.368,1114 15.498,1115 1.832,1116 6.798,1117 27.782,1118 3.137,1119 17.152,1120 21.477,1121 0.285,1122 34.818,1123 16.641,1124 1.68,1125 4.9,1126 29.682,1127 2.977,1128 18.313,1129 22.952,1130 0.068,1131 37.26,1132 17.773,1133 10374,1134 16466,1135 24.849,1136 34.824,1137 53.742,1138 53.783,1139 53.801,1140 53.573,1141 53.535,1142 69.986,1143 4.92,1144 157.309,1145 50.774,1146 5.671,1147 5.489,1148 6.767,1149 5.388,1150 5.322,1151 7.549,1152 1.72,1153 19.566,1154 5.214,1156 1.535,1157 1.537,1158 1.537,1159 1.531,1160 1.53,1161 2,1162 0.141,1163 4.495,1164 1.451,1165 4.142,1166 4.181,1167 4.111,1168 4.041,1169 5.114,1170 4.052,1171 3.969,1172 4.02,1173 3.927,1174 3.829,1175 4.96,1176 3.845,1177 3.807,1178 3.861,1179 3.744,1180 3.654,1181 4.864,1182 3.669,1183 3.702,1184 3.754,1185 3.597,1186 3.514,1187 4.598,1188 3.526,1189 3.364,1190 3.437,1191 3.273,1192 3.17,1193 4.383,1194 3.186,1195 3.271,1196 3.341,1197 3.168,1198 3.074,1199 4.159,1200 3.085,1201 3.111,1202 3.206,1203 2.917,1204 2.941,1205 3.917,1206 2.91,1207 2.988,1208 3.041,1209 2.866,1210 2.826,1211 3.689,1212 2.844,1213 0.133,1214 0.1,1215 0.199,1216 0.122,1217 0.095,1218 4.671,1219 0.13,1220 3.489,1221 0.025,1222 6.965,1223 0.338,1224 4.285,1225 0.092,1226 3.322,1227 4.549,1228 0.86,1229 11.844,1230 3.214,1231 1.981,1232 1.96,1233 2.047,1234 2.078,1235 1.236,1236 2.066,1237 1.833,1238 1.793,1239 1.942,1240 1.979,1241 1.186,1242 1.972,1243 1.743,1244 1.692,1245 1.918,1246 1.952,1247 1.091,1248 1.945,1249 1.601,1250 1.555,1251 1.776,1252 1.779,1253 0.971,1254 1.772,1255 1.378,1256 1.302,1257 1.57,1258 1.62,1259 0.825,1260 1.62,1261 1.292,1262 1.214,1263 1.513,1264 1.605,1265 0.689,1266 1.563,1267 1.153,1268 1.064,1269 1.433,1270 1.376,1271 0.395,1272 1.429,1273 1.017,1274 0.96,1275 1.222,1276 1.187,1277 0.282,1278 1.208,1279 4.263,1281 5.602,1282 3.045,1283 7.152,1284 5.352,1285 8.798,1286 7.434,1287 10.496,1295 4.745,1297 5.539,1300 4.48,1305 33.552,1306 79.296,1307 194.4,1308 239.419,1309 257.294,1310 257.294,1311 257.294,1312 33.073,1313 8.385,1314 83.06,1315 83.06,1316 34,1317 12.962,1318 4.524,1319 3.585,1320 37.321,1321 103,1322 106,1323 0.178,1324 199.724,1325 330.79,1326 479.086,1327 50062,1329 19.916,1330 0.664,1331 0.548,1332 19.916,1333 16.453,1334 14.882,1335 0.425,1336 0.292,1337 10.047,1338 14.213,1339 9.908,1340 8.088,1341 14.882,1342 10.22,1343 13.21,1344 0.264,1345 0.15,1346 13.21,1347 7.518,1348 12.135,1349 0.166,1350 0.08,1351 12.135,1352 5.823,1353 10.961,1354 0.105,1355 0.042,1356 10.961,1357 4.321,1358 9.079,1359 0.066,1360 0.021,1361 9.079,1362 2.916,1363 0.267,1364 93.676,1365 0.201,1366 27.493,1367 0.528,1368 170,1369 461.939,1370 186.866,1371 447.342,1372 638.4,1373 426,1374 208,1375 493.82,1376 226.838,1377 496.976,1378 739.65,1379 471,1380 4.301}
{0 CHEMBL2314281,1 1.555,2 8.933,3 3.369,4 11.352,5 115.55,6 7.833,7 0.629,8 4.08,9 4.203,10 3.717,11 3.608,12 5.149,13 3.613,14 4.637,15 4.81,16 4.088,17 4.027,18 5.654,19 4.015,20 4.837,21 5.047,22 4.12,23 4.148,24 5.769,25 4.101,26 4.842,27 5.057,28 4.13,29 4.159,30 5.825,31 4.111,32 4.883,33 5.099,34 4.153,35 4.189,36 5.853,37 4.135,38 4.896,39 5.108,40 4.186,41 4.216,42 5.838,43 4.168,44 4.947,45 5.153,46 4.143,47 4.256,48 5.855,49 4.18,50 5.045,51 5.295,52 3.98,53 4.242,54 5.882,55 4.118,56 0.052,57 0.856,58 9.662,59 4.15,60 7.852,61 5.374,62 0.321,63 1.399,64 19.715,65 6.95,66 22.145,67 9.102,68 0.333,69 1.622,70 25.936,71 8.922,72 24.17,73 12.439,74 0.364,75 1.689,76 25.52,77 8.511,78 31.748,79 12.009,80 0.371,81 1.718,82 26.894,83 9.202,84 34.615,85 13.13,86 0.37,87 1.77,88 26.914,89 9.163,90 28.009,91 12.823,92 0.352,93 1.815,94 27.861,95 10.343,96 24.572,97 14.319,98 0.375,99 1.805,100 34.311,101 12.535,102 35.543,103 17.719,105 50,106 0.256,107 0.637,108 0.783,109 0.832,110 0.832,111 0.832,112 3.442,113 0.876,114 -4.14,115 -4.08,116 -3.86,119 43.1,121 1,125 5,142 5,143 3,144 1,145 2,146 2,147 1,150 1,151 1,168 1,172 5,174 4,175 11,180 1,183 6,186 1,187 5,192 2,195 4,198 4,199 10,204 2,207 7,211 2,212 6,215 1,217 1,220 3,223 4,224 12,229 1,232 3,236 1,237 5,240 3,245 2,249 2,250 5,258 4,262 1,263 5,268 2,271 2,275 1384,276 21.275,277 21.275,278 21.275,279 21.275,280 21.275,281 18.78,282 21.689,283 12.666,284 21.883,285 17.356,286 17.356,287 17.356,288 17.356,289 17.356,290 13.559,291 33.755,292 6.038,293 18.334,294 4.118,295 1.807,296 0.924,297 0.627,298 0.627,299 0.627,300 4.17,304 1,305 1,306 613,307 2.236,310 111.253,311 293.573,314 202.449,318 1.213,319 20.063,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 268,332 4.671,333 3.489,334 6.965,335 4.284,336 3.322,337 4.549,338 0.86,339 11.844,340 3.207,341 4.42,342 3.122,343 6.611,344 4.004,345 3.039,346 4.132,347 0.8,348 10.545,349 2.924,350 4.041,351 3.065,352 6.168,353 3.715,354 2.796,355 3.538,356 0.8,357 9.124,358 2.582,359 3.837,360 2.706,361 6.02,362 3.527,363 2.565,364 3.137,366 8.535,367 2.446,368 3.58,369 2.297,370 5.474,371 3.149,372 2.176,373 2.977,375 6.798,376 2.117,377 3.098,378 2.217,379 4.831,380 2.735,381 1.832,382 2.329,384 4.9,385 1.651,386 3.047,387 1.801,388 4.533,389 2.634,390 1.68,391 2.31,393 4.666,394 1.598,395 2.971,396 1.64,397 4.247,398 2.531,399 1.548,400 2.027,402 3.704,403 1.519,404 2.835,405 1.548,406 4.044,407 2.318,408 1.385,409 1.983,411 3.452,412 1.289,413 2.5,414 1.409,415 3.748,416 2.15,417 1.244,418 1.5,420 2.908,421 1.122,422 2.5,423 1.256,424 3.491,425 1.984,426 1,427 1.5,428 2.511,429 0.983,430 2.341,431 1.148,432 3.458,433 1.971,434 1,435 1.331,436 2.235,437 0.969,438 2.22,439 1,440 3.397,441 1.952,442 1,443 1.173,445 2.136,446 0.946,447 2.046,448 1,449 3.247,450 1.923,451 1,452 1,454 2.136,455 0.917,456 2,457 0.948,458 3.247,459 1.708,460 0.764,461 0.927,463 2.073,464 0.719,465 14.133,466 0.471,467 0.548,468 0.018,469 42.5,470 1.417,471 21,472 0.7,473 21.5,474 0.717,475 23.868,476 0.796,477 30.867,478 0.605,479 30.759,480 1.025,481 8.26,482 0.275,483 6.622,484 0.221,487 0.34,493 0.862,494 1.394,495 0.705,496 1.093,497 0.712,498 0.911,499 1.28,500 1.011,501 0.914,502 0.861,503 1.027,504 0.843,505 1.081,506 1.137,507 0.923,508 0.939,509 0.947,510 0.914,511 0.944,512 1.016,513 0.996,514 0.936,515 1.173,516 0.953,517 0.834,518 1.109,519 0.943,520 0.985,521 0.999,522 0.97,523 0.956,524 1.01,525 0.985,526 0.952,527 0.879,528 0.957,529 0.851,530 1.131,531 1.132,532 1.208,533 0.821,534 1.208,535 0.843,536 0.925,537 1.092,538 1.137,539 0.894,540 1.149,541 3.5,542 0.048,543 3.333,544 1.535,545 1.155,546 1.097,547 0.797,548 0.378,549 0.16,550 0.109,551 11529,552 28404,553 2.289,554 41.2,556 15,557 1,558 2,559 1,561 2,564 1.739,565 2.25,566 3.135,567 -0.316,568 1,569 1,573 79.296,574 1.555,575 3.866,576 4.749,577 5.045,578 5.045,579 5.045,580 2.444,581 4.323,582 4.878,583 3.305,584 1437.8,585 8.567,586 19165.4,588 1,590 1,591 289.294,592 0.918,593 4.879,594 0.1,595 0.003,596 0.067,597 0.03,598 0.023,599 0.021,600 0.015,601 0.008,602 0.004,603 0.004,604 0.273,605 0.5,606 0.88,608 149.536,609 0.02,610 -0.232,611 0.091,612 -0.105,613 0.083,614 -0.016,615 -0.093,616 0.093,617 -0.013,618 0.087,619 -0.046,620 0.051,621 -0.088,622 -0.115,623 0.022,624 0.037,625 -0.034,626 0.042,627 -0.062,628 0.065,629 -0.07,630 0.004,631 -0.144,632 -0.026,633 0.033,634 -0.064,635 -0.008,636 -0.022,637 -0.022,638 -0.019,639 -0.055,640 0.061,641 -0.059,642 -0.003,643 -0.026,644 -0.024,645 -0.008,646 -0.091,647 -0.219,648 -0.229,649 -0.037,650 -0.252,651 -0.019,652 -0.004,653 -0.102,654 -0.118,655 -0.019,656 -0.118,657 0.916,658 2.062,659 1,660 26.058,661 1.004,662 1.129,663 2.906,664 8.444,665 0.683,666 3.584,667 3.932,668 4.304,669 4.654,670 4.927,671 5.112,672 5.375,673 5.595,674 5.74,675 5.892,676 5.758,677 0.658,678 399.5,679 3.584,680 5.142,681 6.033,682 6.938,683 7.848,684 8.765,685 9.683,686 10.606,687 11.53,688 12.457,689 13.7,695 1,697 2,699 4,703 2,704 8,705 4,706 1,709 6,711 22,726 2,731 51,733 22,734 1,735 35,737 56,738 22,739 16,740 3,741 3,746 6,747 8,755 1,758 1,761 16,762 6,778 1,781 21,782 7,783 1,784 8,790 7,794 0.667,795 1,803 1,805 1,806 1,811 2,812 4,815 2,839 1,840 4,848 30,854 6,856 1,859 2,870 2,874 1,877 13.333,878 9.283,879 6.472,880 3.182,881 3.965,882 1.473,883 1.065,884 4.363,885 12.351,886 3.85,887 4.48,888 5.148,889 5.805,890 6.374,891 6.766,892 7.288,893 7.773,894 8.128,895 8.565,896 0.833,897 51,898 11.073,900 4.822,901 7.511,902 21.643,904 18.484,905 2.011,906 60.333,908 1,909 1,910 235.422,911 113.389,912 89.931,914 11,917 113.389,918 246.422,919 89.931,921 18.036,922 56.429,923 101.562,924 57.608,925 15.998,926 200.109,928 235.422,929 203.32,930 11,933 211.88,934 23.542,935 11,937 62.719,938 73.582,939 67.02,941 235.422,942 100.931,943 113.389,946 235.422,947 38.865,948 80.772,949 16.663,950 78.019,951 235.422,952 100.931,953 113.389,955 0.579,956 0.354,957 0.208,958 0.113,959 28,960 10,961 0.054,962 3,963 2,964 1.133,965 4.129,966 302.784,967 0.133,968 30,969 139.207,974 17.812,975 7.349,976 3.058,977 2.019,978 84.268,979 15.85,980 18.751,981 2.99,984 5.994,986 16.663,987 449.742,988 46,999 51.225,1000 57.604,1001 0.274,1002 0.682,1003 0.837,1004 0.889,1005 0.889,1006 0.889,1007 5.097,1008 1.548,1009 6.009,1010 4.666,1011 4.615,1012 5.168,1013 1.481,1014 6.872,1015 4.515,1016 6.294,1017 1.385,1018 7.587,1019 3.704,1020 4.111,1021 4.902,1022 0.57,1023 7.861,1024 3.974,1025 7.605,1026 1.244,1027 9.274,1028 3.452,1029 6.24,1030 7.403,1031 1.104,1032 11.04,1033 6.052,1034 8.959,1035 1,1036 11.027,1037 2.908,1038 6.661,1039 8.065,1040 0.479,1041 12.903,1042 6.44,1043 10.353,1044 1,1045 12.825,1046 2.511,1047 8.19,1048 9.974,1049 0.854,1050 15.579,1051 7.924,1052 11.774,1053 1,1054 14.651,1055 2.235,1056 9.024,1057 11.066,1058 0.346,1059 17.776,1060 8.728,1061 13.216,1062 1,1063 16.497,1064 2.136,1065 10.322,1066 12.733,1067 0.661,1068 20.292,1069 9.985,1070 3.322,1071 0.764,1072 18.358,1073 2.136,1074 11.342,1075 14.033,1076 0.237,1077 22.627,1078 10.974,1079 3.039,1080 11.844,1081 20.229,1082 2.073,1083 12.552,1084 15.598,1085 0.505,1086 25.093,1087 12.148,1088 2.796,1089 10.545,1090 22.108,1091 4.549,1092 13.656,1093 16.999,1094 0.158,1095 27.49,1096 13.22,1097 2.565,1098 9.124,1099 23.994,1100 4.132,1101 14.836,1102 18.521,1103 0.382,1104 29.941,1105 14.367,1106 2.176,1107 8.535,1108 25.886,1109 3.538,1110 15.978,1111 19.971,1112 0.104,1113 32.368,1114 15.478,1115 1.832,1116 6.798,1117 27.782,1118 3.137,1119 17.152,1120 21.477,1121 0.285,1122 34.818,1123 16.619,1124 1.68,1125 4.9,1126 29.682,1127 2.977,1128 18.313,1129 22.952,1130 0.068,1131 37.26,1132 17.748,1133 10374,1134 16423,1135 24.849,1136 34.824,1137 53.742,1138 53.783,1139 53.801,1140 53.563,1141 53.535,1142 69.986,1143 4.92,1144 157.309,1145 50.774,1146 5.671,1147 5.489,1148 6.767,1149 5.387,1150 5.322,1151 7.549,1152 1.72,1153 19.566,1154 5.207,1156 1.535,1157 1.537,1158 1.537,1159 1.53,1160 1.53,1161 2,1162 0.141,1163 4.495,1164 1.451,1165 4.137,1166 4.177,1167 4.107,1168 4.035,1169 5.116,1170 4.047,1171 3.968,1172 4.018,1173 3.925,1174 3.83,1175 4.956,1176 3.846,1177 3.807,1178 3.861,1179 3.744,1180 3.656,1181 4.862,1182 3.67,1183 3.703,1184 3.754,1185 3.597,1186 3.515,1187 4.598,1188 3.527,1189 3.389,1190 3.463,1191 3.293,1192 3.198,1193 4.379,1194 3.212,1195 3.275,1196 3.347,1197 3.171,1198 3.062,1199 4.159,1200 3.077,1201 3.111,1202 3.206,1203 2.906,1204 2.941,1205 3.921,1206 2.91,1207 2.971,1208 3.023,1209 2.866,1210 2.81,1211 3.689,1212 2.828,1213 0.133,1214 0.1,1215 0.199,1216 0.122,1217 0.095,1218 4.671,1219 0.13,1220 3.489,1221 0.025,1222 6.965,1223 0.338,1224 4.284,1225 0.092,1226 3.322,1227 4.549,1228 0.86,1229 11.844,1230 3.207,1231 1.972,1232 1.951,1233 2.037,1234 2.071,1235 1.226,1236 2.056,1237 1.833,1238 1.793,1239 1.942,1240 1.973,1241 1.182,1242 1.969,1243 1.745,1244 1.695,1245 1.918,1246 1.947,1247 1.089,1248 1.942,1249 1.606,1250 1.56,1251 1.78,1252 1.774,1253 0.972,1254 1.772,1255 1.382,1256 1.306,1257 1.583,1258 1.674,1259 0.825,1260 1.64,1261 1.329,1262 1.246,1263 1.513,1264 1.612,1265 0.701,1266 1.602,1267 1.153,1268 1.064,1269 1.482,1270 1.376,1271 0.46,1272 1.429,1273 0.953,1274 0.902,1275 1.181,1276 1.166,1277 0.274,1278 1.145,1279 4.263,1281 5.602,1282 3.045,1283 7.152,1284 5.352,1285 8.798,1286 7.434,1287 10.496,1295 4.721,1297 5.538,1300 4.47,1305 33.552,1306 79.296,1307 197.155,1308 242.174,1309 257.294,1310 257.294,1311 257.294,1312 33.264,1313 8.385,1314 83.06,1315 83.06,1316 34,1317 12.962,1318 4.524,1319 3.585,1320 37.321,1321 103,1322 106,1323 0.178,1324 199.724,1325 330.79,1326 479.086,1327 50062,1329 19.916,1330 0.664,1331 0.548,1332 19.916,1333 16.453,1334 14.882,1335 0.425,1336 0.292,1337 10.051,1338 14.215,1339 9.914,1340 8.092,1341 14.882,1342 10.224,1343 13.21,1344 0.264,1345 0.15,1346 13.21,1347 7.509,1348 12.135,1349 0.166,1350 0.079,1351 12.135,1352 5.802,1353 10.961,1354 0.105,1355 0.041,1356 10.961,1357 4.307,1358 9.079,1359 0.066,1360 0.021,1361 9.079,1362 2.907,1363 0.267,1364 93.676,1365 0.201,1366 27.493,1367 0.528,1368 170,1369 461.939,1370 186.866,1371 447.245,1372 638.88,1373 426,1374 208,1375 494.89,1376 227.005,1377 497.64,1378 741.57,1379 472,1380 4.301}
{0 CHEMBL2314282,1 1.546,2 8.741,3 2.438,4 5.942,5 103.627,6 7.669,7 0.581,8 3.984,9 4.105,10 3.602,11 3.505,12 5.046,13 3.506,14 4.542,15 4.722,16 3.95,17 3.901,18 5.552,19 3.884,20 4.744,21 4.961,22 3.982,23 4.032,24 5.66,25 3.979,26 4.734,27 4.954,28 3.966,29 4.041,30 5.682,31 3.979,32 4.781,33 5.001,34 4.013,35 4.081,36 5.74,37 4.017,38 4.791,39 5.009,40 3.996,41 4.089,42 5.699,43 4.024,44 4.824,45 5.048,46 3.909,47 4.1,48 5.707,49 4.001,50 4.871,51 5.123,52 3.727,53 4.059,54 5.693,55 3.908,56 0.011,57 0.768,58 9.14,59 3.858,60 6.756,61 5.126,62 0.307,63 1.249,64 18.752,65 6.31,66 22.385,67 8.466,68 0.318,69 1.453,70 24.371,71 8.046,72 23.415,73 11.452,74 0.304,75 1.483,76 23.597,77 7.891,78 27.412,79 11.345,80 0.334,81 1.524,82 24.954,83 8.56,84 33.137,85 12.397,86 0.257,87 1.548,88 24.935,89 8.478,90 23.348,91 12.148,92 0.355,93 1.538,94 26.215,95 9.492,96 25.565,97 13.397,98 0.227,99 1.455,100 29.179,101 11.577,102 29.86,103 16.375,105 43,106 0.262,107 0.588,108 0.726,109 0.775,110 0.796,111 0.796,112 3.342,113 0.892,114 -3.7,115 -3.67,116 -3.49,119 42.6,121 1,125 5,142 4,143 2,144 1,145 4,146 1,147 1,150 1,172 3,174 4,175 11,183 3,186 1,187 5,195 3,198 3,199 6,207 6,211 3,212 8,223 1,224 7,232 2,236 4,237 2,245 4,249 2,250 4,263 6,275 1043,276 19.121,277 19.121,278 19.121,279 19.121,280 19.121,281 17.031,282 21.689,283 11.605,284 19.741,285 15.385,286 15.385,287 15.385,288 15.385,289 15.385,290 12.257,291 33.755,292 5.571,293 16.368,294 4.008,295 2.08,296 1.266,297 0.979,298 0.851,299 0.851,300 4.06,303 1,304 1,305 1,306 530,307 2,310 53.436,311 284.021,314 96.993,318 1.177,319 17.522,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 236,332 4.592,333 3.479,334 6.903,335 4.24,336 3.287,337 4.267,338 0.86,339 11.616,340 3.142,341 4.112,342 3.088,343 6.327,344 3.784,345 2.839,346 3.606,347 0.8,348 9.585,349 2.697,350 3.933,351 2.888,352 6.099,353 3.653,354 2.721,355 3.386,356 0.8,357 8.899,358 2.51,359 3.716,360 2.41,361 5.573,362 3.302,363 2.325,364 3.067,366 7.147,367 2.27,368 3.269,369 2.296,370 4.794,371 2.801,372 1.868,373 2.57,375 4.963,376 1.745,377 2.983,378 1.918,379 4.525,380 2.716,381 1.802,382 2.113,384 4.667,385 1.636,386 2.927,387 1.65,388 4.161,389 2.44,390 1.51,391 2.023,393 3.572,394 1.401,395 2.646,396 1.564,397 3.805,398 2.209,399 1.287,400 1.71,402 3.053,403 1.182,404 2.5,405 1.272,406 3.516,407 2.077,408 1.16,409 1.5,411 2.717,412 1.06,413 2.5,414 1.256,415 3.491,416 1.984,417 1,418 1.5,420 2.511,421 0.983,422 2.335,423 1.137,424 3.373,425 1.984,426 1,427 1.323,428 2.136,429 0.983,430 2.212,431 1,432 3.247,433 1.952,434 1,435 1.167,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.921,442 1,443 1,445 2.136,446 0.915,447 1.847,448 0.793,449 3.247,450 1.575,451 0.633,452 0.752,454 1.735,455 0.594,456 0.992,457 -0.2,458 2.739,459 0.62,460 -0.323,461 -0.392,463 -0.854,464 -0.304,465 12.733,466 0.472,467 0.445,468 0.016,469 38.5,470 1.426,471 19,472 0.704,473 19.5,474 0.722,475 20.227,476 0.749,477 28.067,478 0.597,479 26.537,480 0.983,481 7.497,482 0.278,483 5.901,484 0.219,487 0.298,493 0.88,494 1.552,495 0.718,496 1.181,497 0.703,498 0.968,499 1.343,500 0.991,501 0.955,502 0.861,503 1.052,504 0.857,505 1.144,506 1.104,507 0.961,508 0.914,509 0.995,510 0.911,511 0.916,512 0.999,513 1.015,514 0.95,515 1.171,516 0.974,517 0.779,518 1.065,519 0.939,520 0.975,521 0.93,522 0.97,523 0.983,524 1.115,525 1.048,526 1.044,527 0.812,528 1.041,529 0.833,530 0.947,531 1.145,532 1.119,533 0.834,534 1.163,535 0.608,536 0.985,537 1.026,538 1.261,539 0.753,540 1.223,541 3,542 0.033,543 2.667,544 1.285,545 1.023,546 1.094,547 0.688,548 0.217,549 0.059,550 0.068,551 8570,552 21469,553 2.255,554 42.6,556 14,558 4,561 2,564 1.71,565 2.219,566 3.121,567 -0.733,568 1,569 1,573 72.679,574 1.546,575 3.474,576 4.288,577 4.576,578 4.704,579 4.704,580 2.425,581 4.236,582 4.724,583 3.257,584 1143.34,585 8.255,586 14223.3,588 1,590 1,591 261.066,592 0.877,593 4.728,594 0.097,595 0.004,596 0.062,597 0.029,598 0.024,599 0.024,600 0.016,601 0.006,602 0.002,603 0.003,604 0.266,605 0.5,606 0.88,608 130.345,609 -0.012,610 -0.389,611 0.095,612 -0.172,613 0.09,614 -0.048,615 -0.09,616 0.119,617 -0.029,618 0.082,619 -0.04,620 0.037,621 -0.11,622 -0.074,623 -0.006,624 0.052,625 -0.077,626 0.038,627 -0.07,628 0.075,629 -0.084,631 -0.19,632 -0.034,633 0.064,634 -0.022,635 -0.003,636 -0.005,637 0.015,638 -0.01,639 -0.127,640 -0.059,641 -0.118,642 -0.082,643 -0.036,644 -0.092,645 0.002,646 0.071,647 -0.209,648 -0.134,649 -0.026,650 -0.189,651 0.109,652 -0.107,653 -0.051,654 -0.207,655 0.069,656 -0.162,657 0.898,658 1.996,659 1,660 22.782,661 1.003,662 1.13,663 2.474,664 6.123,665 0.677,666 3.466,667 3.784,668 4.127,669 4.454,670 4.745,671 4.89,672 5.142,673 5.323,674 5.438,675 5.529,676 5.509,677 0.65,678 360.46,679 3.466,680 5.004,681 5.878,682 6.767,683 7.663,684 8.567,685 9.475,686 10.387,687 11.301,688 12.218,689 12.8,695 1,697 1,699 4,704 8,705 4,709 6,711 18,726 2,731 47,733 18,735 31,737 51,738 20,739 14,746 5,747 6,755 1,758 1,761 14,762 6,777 1,778 1,781 20,782 7,784 7,790 6,794 0.8,795 1,805 2,806 1,811 1,812 4,815 1,839 1,840 4,848 27,854 6,856 1,859 2,870 2.1,874 1,877 12.167,878 8.533,879 5.917,880 2.924,881 2.961,882 1.378,883 1.03,884 4.344,885 10.787,886 3.714,887 4.284,888 4.888,889 5.49,890 6.077,891 6.354,892 6.85,893 7.273,894 7.631,895 7.97,896 0.833,897 44,898 9.96,900 4.253,901 7.519,902 19.462,904 16.293,905 2.019,906 54.5,909 1,910 235.422,911 108.243,912 73.391,914 11,917 108.243,918 246.422,919 73.391,921 18.036,922 37.905,923 125.226,924 54.323,925 4.227,926 188.338,928 235.422,929 181.633,930 11,933 211.88,934 23.542,935 11,937 62.006,938 52.485,939 67.142,941 235.422,942 84.391,943 108.243,946 235.422,947 34.148,948 80.343,950 78.142,951 235.422,952 84.391,953 108.243,955 0.571,956 0.342,957 0.2,958 0.114,959 23,960 8,961 0.059,962 3,963 1,964 1.074,965 3.905,966 251.519,967 0.074,968 27,969 116.382,974 16.459,975 7.126,976 3.106,978 84.391,979 15.348,980 18.221,984 6.135,987 428.055,988 40,999 47.123,1000 53.106,1001 0.278,1002 0.625,1003 0.772,1004 0.824,1005 0.847,1006 0.847,1007 4.945,1008 1.287,1009 5.838,1010 3.572,1011 4.466,1012 4.97,1013 1.481,1014 6.671,1015 4.351,1016 6.115,1017 1.16,1018 7.396,1019 3.053,1020 3.892,1021 4.543,1022 0.57,1023 7.609,1024 3.732,1025 7.403,1026 1,1027 9.064,1028 2.717,1029 6.057,1030 7.1,1031 1.104,1032 10.785,1033 5.839,1034 8.731,1035 1,1036 10.802,1037 2.511,1038 6.415,1039 7.57,1040 0.479,1041 12.619,1042 6.157,1043 10.099,1044 1,1045 12.586,1046 2.136,1047 7.973,1048 9.541,1049 0.854,1050 15.286,1051 7.661,1052 11.495,1053 1,1054 14.401,1055 2.136,1056 8.764,1057 10.449,1058 0.346,1059 17.463,1060 8.412,1061 12.912,1062 0.633,1063 16.237,1064 2.136,1065 10.074,1066 12.151,1067 0.661,1068 19.969,1069 9.672,1070 3.287,1071 -0.323,1072 18.088,1073 1.735,1074 11.068,1075 13.296,1076 0.237,1077 22.29,1078 10.625,1079 2.839,1080 11.616,1081 19.951,1082 -0.854,1083 12.282,1084 14.864,1085 0.505,1086 24.744,1087 11.792,1088 2.721,1089 9.585,1090 21.822,1091 4.267,1092 13.37,1093 16.142,1094 0.158,1095 27.129,1096 12.838,1097 2.325,1098 8.899,1099 23.7,1100 3.606,1101 14.55,1102 17.644,1103 0.382,1104 29.57,1105 13.974,1106 1.868,1107 7.147,1108 25.585,1109 3.386,1110 15.683,1111 18.997,1112 0.104,1113 31.985,1114 15.065,1115 1.802,1116 4.963,1117 27.474,1118 3.067,1119 16.854,1120 20.467,1121 0.285,1122 34.425,1123 16.192,1124 1.51,1125 4.667,1126 29.367,1127 2.57,1128 18.009,1129 21.862,1130 0.068,1131 36.856,1132 17.305,1133 7871,1134 12575,1135 21.959,1136 31.819,1137 47.019,1138 47.166,1139 46.934,1140 46.899,1141 46.864,1142 59.973,1143 4.92,1144 133.742,1145 44.127,1146 5.592,1147 5.479,1148 6.705,1149 5.344,1150 5.287,1151 7.267,1152 1.72,1153 19.163,1154 5.079,1156 1.517,1157 1.521,1158 1.514,1159 1.513,1160 1.512,1161 1.935,1162 0.159,1163 4.314,1164 1.423,1165 4.061,1166 4.106,1167 4.026,1168 3.936,1169 5.025,1170 3.952,1171 3.849,1172 3.894,1173 3.794,1174 3.739,1175 4.893,1176 3.747,1177 3.777,1178 3.831,1179 3.694,1180 3.598,1181 4.819,1182 3.614,1183 3.677,1184 3.73,1185 3.58,1186 3.506,1187 4.596,1188 3.516,1189 3.282,1190 3.355,1191 3.18,1192 3.055,1193 4.163,1194 3.075,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.96,1200 2.91,1201 2.91,1202 2.975,1203 2.852,1204 2.735,1205 3.689,1206 2.721,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.148,1214 0.112,1215 0.223,1216 0.137,1217 0.106,1218 4.592,1219 0.138,1220 3.479,1221 0.028,1222 6.903,1223 0.375,1224 4.24,1225 0.101,1226 3.287,1227 4.267,1228 0.86,1229 11.616,1230 3.142,1231 1.916,1232 1.884,1233 1.995,1234 2.06,1235 1.208,1236 2.04,1237 1.826,1238 1.785,1239 1.939,1240 1.967,1241 1.149,1242 1.962,1243 1.714,1244 1.659,1245 1.907,1246 1.933,1247 1.035,1248 1.928,1249 1.569,1250 1.521,1251 1.753,1252 1.742,1253 0.905,1254 1.74,1255 1.374,1256 1.299,1257 1.549,1258 1.612,1259 0.825,1260 1.612,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.646,1266 1.429,1267 0.886,1268 0.821,1269 1.181,1270 1.166,1271 0.274,1272 1.145,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.143,1281 5.46,1282 2.398,1283 6.993,1284 4.727,1285 8.621,1286 6.862,1287 10.3,1295 4.837,1297 5.496,1300 4.463,1305 30.531,1306 72.679,1307 163.291,1308 201.556,1309 215.066,1310 221.066,1311 221.066,1312 29.296,1313 7.826,1314 67.27,1315 67.27,1316 29,1317 12.73,1318 4.248,1319 3.322,1320 35.35,1321 89,1322 88,1323 0.198,1324 184.066,1325 311.09,1326 440.88,1327 24799,1329 18.054,1330 0.669,1331 0.554,1332 18.054,1333 14.953,1334 13.399,1335 0.432,1336 0.297,1337 9.058,1338 12.791,1339 8.925,1340 7.295,1341 13.399,1342 9.216,1343 11.659,1344 0.271,1345 0.154,1346 11.659,1347 6.617,1348 10.46,1349 0.171,1350 0.083,1351 10.46,1352 5.037,1353 9.224,1354 0.109,1355 0.043,1356 9.224,1357 3.672,1358 7.846,1359 0.069,1360 0.022,1361 7.846,1362 2.5,1363 0.297,1364 84.323,1365 0.213,1366 25.282,1367 0.585,1368 148,1369 411.606,1370 163.146,1371 396.583,1372 560.94,1373 378,1374 178,1375 425.834,1376 194.59,1377 428.678,1378 635.36,1379 406,1380 4.646}
{0 CHEMBL2314283,1 1.546,2 8.741,3 2.438,4 5.942,5 103.627,6 7.669,7 0.581,8 3.984,9 4.105,10 3.602,11 3.505,12 5.046,13 3.506,14 4.542,15 4.722,16 3.95,17 3.901,18 5.551,19 3.884,20 4.745,21 4.961,22 3.985,23 4.028,24 5.665,25 3.975,26 4.736,27 4.961,28 3.969,29 4.03,30 5.692,31 3.971,32 4.765,33 4.982,34 4.014,35 4.066,36 5.727,37 4.006,38 4.789,39 5.011,40 4,41 4.076,42 5.718,43 4.014,44 4.797,45 5.011,46 3.901,47 4.095,48 5.674,49 3.998,50 4.885,51 5.142,52 3.735,53 4.047,54 5.72,55 3.902,56 0.011,57 0.768,58 9.14,59 3.858,60 6.756,61 5.126,62 0.307,63 1.249,64 18.752,65 6.31,66 22.052,67 8.466,68 0.309,69 1.455,70 24.339,71 8.038,72 23.439,73 11.461,74 0.341,75 1.486,76 23.884,77 7.789,78 29.511,79 11.239,80 0.297,81 1.508,82 24.387,83 8.295,84 30.719,85 12.063,86 0.358,87 1.552,88 25.155,89 8.274,90 27.33,91 11.823,92 0.247,93 1.502,94 24.98,95 9.329,96 21.585,97 13.153,98 0.275,99 1.481,100 29.901,101 11.184,102 32.994,103 15.958,105 43,106 0.262,107 0.588,108 0.745,109 0.815,110 0.825,111 0.825,112 3.342,113 0.892,114 -3.7,115 -3.67,116 -3.49,119 42.6,121 1,125 5,142 4,143 2,144 1,145 4,146 1,147 1,150 1,172 3,174 4,175 11,183 3,186 1,187 4,195 2,198 4,199 8,207 6,211 2,212 5,220 1,223 4,224 9,232 2,236 1,237 2,245 2,249 2,250 5,258 2,262 1,263 4,275 1043,276 19.121,277 19.121,278 19.121,279 19.121,280 19.121,281 17.031,282 21.689,283 11.605,284 19.732,285 15.385,286 15.385,287 15.385,288 15.385,289 15.385,290 12.257,291 33.755,292 5.571,293 16.362,294 4.008,295 2.08,296 1.155,297 0.739,298 0.681,299 0.681,300 4.06,303 1,304 1,305 1,306 530,307 2,310 53.436,311 284.021,314 96.993,318 1.177,319 17.798,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 236,332 4.592,333 3.479,334 6.903,335 4.24,336 3.287,337 4.267,338 0.86,339 11.616,340 3.141,341 4.112,342 3.088,343 6.327,344 3.783,345 2.839,346 3.606,347 0.8,348 9.585,349 2.694,350 3.933,351 2.888,352 6.099,353 3.652,354 2.721,355 3.386,356 0.8,357 8.899,358 2.509,359 3.716,360 2.41,361 5.573,362 3.301,363 2.325,364 3.067,366 7.147,367 2.267,368 3.269,369 2.296,370 4.794,371 2.803,372 1.868,373 2.57,375 4.963,376 1.751,377 2.983,378 1.918,379 4.525,380 2.717,381 1.802,382 2.113,384 4.667,385 1.637,386 2.927,387 1.65,388 4.161,389 2.448,390 1.51,391 2.023,393 3.572,394 1.415,395 2.646,396 1.564,397 3.805,398 2.215,399 1.287,400 1.71,402 3.053,403 1.191,404 2.5,405 1.272,406 3.516,407 2.086,408 1.16,409 1.5,411 2.717,412 1.069,413 2.5,414 1.256,415 3.491,416 1.984,417 1,418 1.5,420 2.511,421 0.983,422 2.335,423 1.137,424 3.373,425 1.956,426 1,427 1.323,428 2.136,429 0.953,430 2.212,431 1,432 3.247,433 1.952,434 1,435 1.167,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.921,442 1,443 1,445 2.136,446 0.915,447 1.847,448 0.793,449 3.247,450 1.577,451 0.633,452 0.752,454 1.735,455 0.596,456 0.992,457 -0.2,458 2.739,459 0.619,460 -0.323,461 -0.392,463 -0.854,464 -0.303,465 12.733,466 0.472,467 0.445,468 0.016,469 38.5,470 1.426,471 19,472 0.704,473 19.5,474 0.722,475 20.209,476 0.748,477 28.067,478 0.597,479 26.555,480 0.984,481 7.497,482 0.278,483 5.902,484 0.219,487 0.298,493 0.88,494 1.552,495 0.718,496 1.181,497 0.703,498 0.968,499 1.343,500 0.991,501 0.955,502 0.861,503 1.06,504 0.857,505 1.132,506 1.144,507 0.955,508 0.938,509 0.981,510 0.924,511 0.926,512 0.945,513 1.005,514 0.905,515 1.182,516 0.94,517 0.81,518 1.163,519 0.936,520 1.011,521 0.953,522 0.985,523 0.993,524 0.942,525 1.057,526 0.95,527 0.886,528 0.988,529 0.849,530 1.121,531 1.144,532 1.211,533 0.832,534 1.214,535 0.734,536 0.963,537 1.058,538 1.203,539 0.845,540 1.187,541 3,542 0.033,543 2.667,544 1.285,545 1.023,546 1.094,547 0.688,548 0.217,549 0.059,550 0.068,551 8570,552 21317,553 2.255,554 42.6,556 14,558 4,561 2,564 1.71,565 2.219,566 3.121,567 -0.733,568 1,569 1,573 72.679,574 1.546,575 3.474,576 4.4,577 4.815,578 4.874,579 4.874,580 2.425,581 4.236,582 4.724,583 3.257,584 1143.34,585 8.255,586 14223.3,588 1,590 1,591 261.066,592 0.877,593 4.728,594 0.097,595 0.004,596 0.062,597 0.029,598 0.024,599 0.024,600 0.016,601 0.006,602 0.002,603 0.003,604 0.266,605 0.5,606 0.88,608 130.345,609 -0.012,610 -0.389,611 0.095,612 -0.172,613 0.09,614 -0.048,615 -0.09,616 0.119,617 -0.029,618 0.082,619 -0.048,620 0.037,621 -0.098,622 -0.115,624 0.027,625 -0.061,626 0.025,627 -0.045,628 0.134,629 -0.065,630 0.034,631 -0.161,632 -0.007,633 0.04,634 -0.115,635 -0.002,636 -0.043,637 -0.003,638 -0.029,639 -0.071,640 0.131,641 -0.117,642 -0.007,643 -0.035,644 -0.055,645 -0.063,646 -0.108,647 -0.224,648 -0.208,649 -0.06,650 -0.232,651 0.055,652 -0.07,653 -0.07,654 -0.175,655 0.039,656 -0.145,657 0.906,658 1.995,659 1,660 22.782,661 1.003,662 1.13,663 2.474,664 6.123,665 0.677,666 3.466,667 3.784,668 4.127,669 4.454,670 4.745,671 4.89,672 5.142,673 5.323,674 5.438,675 5.529,676 5.509,677 0.65,678 360.46,679 3.466,680 5.004,681 5.878,682 6.767,683 7.663,684 8.567,685 9.475,686 10.387,687 11.301,688 12.218,689 12.8,695 1,697 1,699 4,704 8,705 4,709 6,711 18,726 2,731 47,733 18,735 31,737 51,738 20,739 14,746 5,747 6,755 1,758 1,761 14,762 6,777 1,778 1,781 20,782 7,784 7,790 6,794 0.8,795 1,805 2,806 1,811 1,812 4,815 1,839 1,840 4,848 27,854 6,856 1,859 2,870 2.1,874 1,877 12.167,878 8.533,879 5.917,880 2.924,881 2.961,882 1.378,883 1.03,884 4.344,885 10.787,886 3.714,887 4.284,888 4.888,889 5.49,890 6.077,891 6.354,892 6.85,893 7.273,894 7.631,895 7.97,896 0.833,897 44,898 9.961,900 4.256,901 7.519,902 19.462,904 16.293,905 2.019,906 54.5,909 1,910 235.422,911 108.243,912 73.391,914 11,917 108.243,918 246.422,919 73.391,921 18.036,922 37.905,923 125.226,924 54.323,925 4.227,926 188.338,928 235.422,929 181.633,930 11,933 211.88,934 23.542,935 11,937 62.006,938 52.485,939 67.142,941 235.422,942 84.391,943 108.243,946 235.422,947 34.148,948 80.343,950 78.142,951 235.422,952 84.391,953 108.243,955 0.571,956 0.342,957 0.2,958 0.114,959 23,960 8,961 0.059,962 3,963 1,964 1.074,965 3.905,966 251.519,967 0.074,968 27,969 120.382,974 16.459,975 7.126,976 3.106,978 84.391,979 15.364,980 18.341,984 6.033,987 428.055,988 40,999 47.123,1000 53.106,1001 0.278,1002 0.625,1003 0.792,1004 0.867,1005 0.877,1006 0.877,1007 4.945,1008 1.287,1009 5.838,1010 3.572,1011 4.466,1012 4.97,1013 1.481,1014 6.671,1015 4.351,1016 6.115,1017 1.16,1018 7.396,1019 3.053,1020 3.892,1021 4.543,1022 0.57,1023 7.609,1024 3.732,1025 7.403,1026 1,1027 9.064,1028 2.717,1029 6.057,1030 7.1,1031 1.104,1032 10.785,1033 5.838,1034 8.731,1035 1,1036 10.802,1037 2.511,1038 6.415,1039 7.57,1040 0.479,1041 12.619,1042 6.155,1043 10.099,1044 1,1045 12.586,1046 2.136,1047 7.973,1048 9.541,1049 0.854,1050 15.286,1051 7.658,1052 11.495,1053 1,1054 14.401,1055 2.136,1056 8.764,1057 10.449,1058 0.346,1059 17.463,1060 8.408,1061 12.912,1062 0.633,1063 16.237,1064 2.136,1065 10.074,1066 12.151,1067 0.661,1068 19.969,1069 9.668,1070 3.287,1071 -0.323,1072 18.088,1073 1.735,1074 11.068,1075 13.296,1076 0.237,1077 22.29,1078 10.621,1079 2.839,1080 11.616,1081 19.951,1082 -0.854,1083 12.282,1084 14.864,1085 0.505,1086 24.744,1087 11.787,1088 2.721,1089 9.585,1090 21.822,1091 4.267,1092 13.37,1093 16.142,1094 0.158,1095 27.129,1096 12.833,1097 2.325,1098 8.899,1099 23.7,1100 3.606,1101 14.55,1102 17.644,1103 0.382,1104 29.57,1105 13.968,1106 1.868,1107 7.147,1108 25.585,1109 3.386,1110 15.683,1111 18.997,1112 0.104,1113 31.985,1114 15.059,1115 1.802,1116 4.963,1117 27.474,1118 3.067,1119 16.854,1120 20.467,1121 0.285,1122 34.425,1123 16.187,1124 1.51,1125 4.667,1126 29.367,1127 2.57,1128 18.009,1129 21.862,1130 0.068,1131 36.856,1132 17.299,1133 7871,1134 12533,1135 21.959,1136 31.819,1137 47.019,1138 47.166,1139 46.934,1140 46.896,1141 46.864,1142 59.973,1143 4.92,1144 133.742,1145 44.131,1146 5.592,1147 5.479,1148 6.705,1149 5.344,1150 5.287,1151 7.267,1152 1.72,1153 19.163,1154 5.089,1156 1.517,1157 1.521,1158 1.514,1159 1.513,1160 1.512,1161 1.935,1162 0.159,1163 4.314,1164 1.424,1165 4.061,1166 4.106,1167 4.025,1168 3.934,1169 5.027,1170 3.95,1171 3.849,1172 3.894,1173 3.793,1174 3.739,1175 4.893,1176 3.746,1177 3.777,1178 3.832,1179 3.695,1180 3.602,1181 4.812,1182 3.617,1183 3.678,1184 3.731,1185 3.581,1186 3.508,1187 4.595,1188 3.518,1189 3.285,1190 3.357,1191 3.181,1192 3.067,1193 4.161,1194 3.084,1195 3.111,1196 3.206,1197 2.871,1198 2.941,1199 3.937,1200 2.91,1201 2.944,1202 3.002,1203 2.866,1204 2.779,1205 3.786,1206 2.791,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.685,1212 2.715,1213 0.148,1214 0.112,1215 0.223,1216 0.137,1217 0.106,1218 4.592,1219 0.138,1220 3.479,1221 0.028,1222 6.903,1223 0.375,1224 4.24,1225 0.101,1226 3.287,1227 4.267,1228 0.86,1229 11.616,1230 3.141,1231 1.914,1232 1.881,1233 1.994,1234 2.06,1235 1.207,1236 2.039,1237 1.826,1238 1.785,1239 1.939,1240 1.967,1241 1.147,1242 1.962,1243 1.716,1244 1.661,1245 1.908,1246 1.933,1247 1.032,1248 1.928,1249 1.575,1250 1.528,1251 1.758,1252 1.744,1253 0.906,1254 1.744,1255 1.375,1256 1.3,1257 1.556,1258 1.612,1259 0.825,1260 1.612,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.66,1266 1.429,1267 0.886,1268 0.827,1269 1.181,1270 1.166,1271 0.274,1272 1.145,1273 0.881,1274 0.821,1275 1.115,1276 1.062,1277 0.218,1278 1.107,1279 4.143,1281 5.46,1282 2.398,1283 6.993,1284 4.727,1285 8.621,1286 6.862,1287 10.3,1295 4.813,1297 5.495,1300 4.454,1305 30.531,1306 72.679,1307 163.291,1308 206.801,1309 226.311,1310 229.066,1311 229.066,1312 29.502,1313 7.826,1314 67.27,1315 67.27,1316 29,1317 12.73,1318 4.248,1319 3.322,1320 35.35,1321 89,1322 88,1323 0.198,1324 184.066,1325 311.09,1326 440.88,1327 24799,1329 18.054,1330 0.669,1331 0.554,1332 18.054,1333 14.953,1334 13.399,1335 0.432,1336 0.297,1337 9.058,1338 12.794,1339 8.924,1340 7.298,1341 13.399,1342 9.216,1343 11.659,1344 0.271,1345 0.154,1346 11.659,1347 6.623,1348 10.46,1349 0.171,1350 0.082,1351 10.46,1352 5.018,1353 9.224,1354 0.109,1355 0.043,1356 9.224,1357 3.665,1358 7.846,1359 0.069,1360 0.022,1361 7.846,1362 2.494,1363 0.297,1364 84.323,1365 0.213,1366 25.282,1367 0.585,1368 148,1369 411.606,1370 163.146,1371 396.715,1372 560.98,1373 378,1374 178,1375 425.834,1376 194.757,1377 428.974,1378 635.8,1379 406,1380 5.77}
{0 CHEMBL2314284,1 1.587,2 8.741,3 1.81,4 3.275,5 102.481,6 7.858,7 0.581,8 3.972,9 4.095,10 3.609,11 3.47,12 5.059,13 3.483,14 4.528,15 4.713,16 3.954,17 3.867,18 5.561,19 3.861,20 4.714,21 4.924,22 3.988,23 3.998,24 5.655,25 3.955,26 4.724,27 4.951,28 3.973,29 4.003,30 5.698,31 3.952,32 4.744,33 4.959,34 4.019,35 4.033,36 5.725,37 3.983,38 4.774,39 5.001,40 4.01,41 4.033,42 5.736,43 3.983,44 4.753,45 4.962,46 3.904,47 4.047,48 5.661,49 3.964,50 4.859,51 5.119,52 3.745,53 3.984,54 5.734,55 3.858,56 0.033,57 0.778,58 8.602,59 3.593,60 7.006,61 4.765,62 0.378,63 1.239,64 18.171,65 5.856,66 24.047,67 7.82,68 0.338,69 1.421,70 22.926,71 7.562,72 22.365,73 10.755,74 0.407,75 1.462,76 23.29,77 7.408,78 31.619,79 10.698,80 0.325,81 1.483,82 23.297,83 7.821,84 29.418,85 11.423,86 0.479,87 1.524,88 24.583,89 7.69,90 30.18,91 10.995,92 0.272,93 1.45,94 23.12,95 8.585,96 20.943,97 12.083,98 0.359,99 1.43,100 29.153,101 10.023,102 36.764,103 14.53,105 43,106 0.27,107 0.603,108 0.763,109 0.799,110 0.799,111 0.799,112 3.342,113 0.877,114 -3.54,115 -3.52,116 -3.35,119 41.3,121 1,125 5,142 2,143 2,144 1,145 4,146 1,147 1,148 1,150 1,172 1,174 5,175 11,183 2,186 1,187 2,195 1,198 5,199 8,207 4,211 2,212 3,223 7,224 6,232 2,236 1,237 2,249 2,250 6,262 2,263 2,275 1043,276 19.121,277 19.121,278 19.121,279 19.121,280 19.121,281 17.031,282 21.689,283 11.605,284 19.8,285 15.385,286 15.385,287 15.385,288 15.385,289 15.385,290 12.257,291 33.755,292 5.571,293 16.462,294 3.936,295 1.979,296 1.033,297 0.826,298 0.826,299 0.826,300 4.06,303 1,304 1,305 1,306 530,307 2,310 53.436,311 284.021,314 96.993,318 1.177,319 19.518,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 236,332 4.592,333 3.479,334 6.903,335 4.24,336 3.287,337 4.267,338 0.86,339 11.616,340 3.14,341 4.112,342 3.088,343 6.327,344 3.782,345 2.839,346 3.606,347 0.8,348 9.585,349 2.689,350 3.933,351 2.888,352 6.099,353 3.651,354 2.721,355 3.386,356 0.8,357 8.899,358 2.507,359 3.716,360 2.41,361 5.573,362 3.296,363 2.325,364 3.067,366 7.147,367 2.256,368 3.269,369 2.296,370 4.794,371 2.79,372 1.868,373 2.57,375 4.963,376 1.724,377 2.983,378 1.918,379 4.525,380 2.714,381 1.802,382 2.113,384 4.667,385 1.635,386 2.927,387 1.65,388 4.161,389 2.434,390 1.51,391 2.023,393 3.572,394 1.392,395 2.646,396 1.564,397 3.805,398 2.207,399 1.287,400 1.71,402 3.053,403 1.18,404 2.5,405 1.272,406 3.516,407 2.076,408 1.16,409 1.5,411 2.717,412 1.059,413 2.5,414 1.256,415 3.491,416 1.984,417 1,418 1.5,420 2.511,421 0.983,422 2.335,423 1.137,424 3.373,425 1.952,426 1,427 1.323,428 2.136,429 0.946,430 2.212,431 1,432 3.247,433 1.921,434 1,435 1.167,436 2.136,437 0.916,438 2,439 1,440 3.247,441 1.917,442 1,443 1,445 2.136,446 0.915,447 1.847,448 0.793,449 3.247,450 1.574,451 0.633,452 0.752,454 1.735,455 0.594,456 0.992,457 -0.2,458 2.739,459 0.613,460 -0.323,461 -0.392,463 -0.854,464 -0.302,465 12.633,466 0.468,467 0.445,468 0.016,469 39,470 1.444,471 19,472 0.704,473 20,474 0.741,475 19.925,476 0.738,477 28.167,478 0.612,479 26.838,480 0.994,481 7.574,482 0.281,483 5.825,484 0.216,487 0.301,493 0.89,494 1.635,495 0.695,496 1.226,497 0.676,498 0.977,499 1.328,500 0.922,501 0.947,502 0.807,503 1.047,504 0.818,505 1.083,506 1.197,507 0.946,508 0.991,509 0.913,510 0.958,511 0.892,512 0.897,513 0.991,514 0.887,515 1.121,516 0.929,517 0.782,518 1.23,519 0.919,520 1.066,521 0.902,522 1.015,523 0.955,524 0.825,525 1.044,526 0.892,527 0.903,528 0.953,529 0.835,530 1.188,531 1.13,532 1.268,533 0.849,534 1.248,535 0.838,536 0.993,537 1.075,538 1.197,539 0.939,540 1.18,541 3,542 0.033,543 2.667,544 1.285,545 1.023,546 1.094,547 0.688,548 0.217,549 0.059,550 0.068,551 8570,552 22371,553 2.255,554 41.3,556 12,558 5,561 2,564 1.71,565 2.219,566 3.121,567 -0.696,568 1,569 1,573 73.011,574 1.587,575 3.545,576 4.491,577 4.697,578 4.697,579 4.697,580 2.425,581 4.236,582 4.724,583 3.257,584 1143.34,585 8.255,586 14223.3,588 1,590 1,591 254.084,592 0.877,593 4.728,594 0.097,595 0.004,596 0.062,597 0.029,598 0.024,599 0.024,600 0.016,601 0.006,602 0.002,603 0.003,604 0.266,605 0.5,606 0.88,608 130.345,609 -0.034,610 -0.455,611 0.095,612 -0.211,613 0.107,614 -0.065,615 -0.105,616 0.187,617 -0.03,618 0.133,619 -0.045,620 0.07,621 -0.101,622 -0.173,623 -0.008,624 -0.009,625 -0.048,626 0.001,627 -0.033,628 0.167,629 -0.055,630 0.06,631 -0.136,632 0.011,633 0.039,634 -0.191,635 0.005,636 -0.085,637 0.002,638 -0.051,639 -0.015,640 0.244,641 -0.1,642 0.041,643 -0.02,644 -0.027,645 -0.06,646 -0.17,647 -0.224,648 -0.253,649 -0.069,650 -0.261,651 0.015,652 -0.097,653 -0.069,654 -0.181,655 0.005,656 -0.143,657 0.933,658 1.985,659 1,660 22.782,661 1.007,662 1.135,663 2.311,664 5.339,665 0.675,666 3.466,667 3.784,668 4.127,669 4.454,670 4.745,671 4.89,672 5.142,673 5.323,674 5.438,675 5.529,676 5.509,677 0.653,678 361.45,679 3.466,680 5.004,681 5.878,682 6.767,683 7.663,684 8.567,685 9.475,686 10.387,687 11.301,688 12.218,689 15.2,695 1,697 1,699 5,704 7,705 5,709 6,711 18,726 2,731 46,733 18,735 31,737 50,738 19,739 13,746 5,747 6,755 1,758 1,761 13,762 6,777 1,778 1,781 19,782 8,784 8,790 7,794 0.8,795 1,805 1,806 2,811 1,812 4,815 1,839 1,840 4,848 27,854 6,856 1,859 2,870 2.2,874 1,877 12.167,878 8.4,879 5.917,880 2.835,881 2.961,882 1.378,883 1.027,884 4.305,885 10.787,886 3.714,887 4.284,888 4.888,889 5.49,890 6.077,891 6.354,892 6.85,893 7.273,894 7.631,895 7.97,896 0.833,897 44,898 9.948,900 4.249,901 7.556,902 19.332,904 16.11,905 2.056,906 55.5,910 223.651,911 97.909,912 90.176,914 11,917 97.909,918 234.651,919 90.176,921 18.036,922 18.952,923 153.783,924 62.942,925 4.227,926 164.795,928 223.651,929 188.085,930 11,933 200.109,934 23.542,935 11,937 70.625,938 33.533,939 83.928,941 223.651,942 101.176,943 97.909,946 223.651,947 34.148,948 70.009,950 94.928,951 223.651,952 101.176,953 97.909,955 0.571,956 0.342,957 0.2,958 0.114,959 23,960 8,961 0.06,962 3,963 1,964 1.074,965 3.905,966 251.519,967 0.074,968 27,969 116.382,974 16.398,975 7.088,976 3.085,978 101.176,979 12.805,980 22.34,984 5.749,987 422.736,988 40,999 46.342,1000 52.189,1001 0.287,1002 0.642,1003 0.813,1004 0.85,1005 0.85,1006 0.85,1007 4.945,1008 1.287,1009 5.838,1010 3.572,1011 4.466,1012 4.97,1013 1.481,1014 6.671,1015 4.341,1016 6.115,1017 1.16,1018 7.396,1019 3.053,1020 3.892,1021 4.543,1022 0.57,1023 7.609,1024 3.732,1025 7.403,1026 1,1027 9.064,1028 2.717,1029 6.057,1030 7.1,1031 1.104,1032 10.785,1033 5.825,1034 8.731,1035 1,1036 10.802,1037 2.511,1038 6.415,1039 7.57,1040 0.479,1041 12.619,1042 6.153,1043 10.099,1044 1,1045 12.586,1046 2.136,1047 7.973,1048 9.541,1049 0.854,1050 15.286,1051 7.645,1052 11.495,1053 1,1054 14.401,1055 2.136,1056 8.764,1057 10.449,1058 0.346,1059 17.463,1060 8.404,1061 12.912,1062 0.633,1063 16.237,1064 2.136,1065 10.074,1066 12.151,1067 0.661,1068 19.969,1069 9.656,1070 3.287,1071 -0.323,1072 18.088,1073 1.735,1074 11.068,1075 13.296,1076 0.237,1077 22.29,1078 10.614,1079 2.839,1080 11.616,1081 19.951,1082 -0.854,1083 12.282,1084 14.864,1085 0.505,1086 24.744,1087 11.776,1088 2.721,1089 9.585,1090 21.822,1091 4.267,1092 13.37,1093 16.142,1094 0.158,1095 27.129,1096 12.825,1097 2.325,1098 8.899,1099 23.7,1100 3.606,1101 14.55,1102 17.644,1103 0.382,1104 29.57,1105 13.958,1106 1.868,1107 7.147,1108 25.585,1109 3.386,1110 15.683,1111 18.997,1112 0.104,1113 31.985,1114 15.05,1115 1.802,1116 4.963,1117 27.474,1118 3.067,1119 16.854,1120 20.467,1121 0.285,1122 34.425,1123 16.177,1124 1.51,1125 4.667,1126 29.367,1127 2.57,1128 18.009,1129 21.862,1130 0.068,1131 36.856,1132 17.29,1133 7871,1134 12843,1135 21.959,1136 31.063,1137 47.019,1138 47.166,1139 46.934,1140 46.882,1141 46.864,1142 59.973,1143 4.92,1144 133.742,1145 43.869,1146 5.592,1147 5.479,1148 6.705,1149 5.343,1150 5.287,1151 7.267,1152 1.72,1153 19.163,1154 5.076,1156 1.517,1157 1.521,1158 1.514,1159 1.512,1160 1.512,1161 1.935,1162 0.159,1163 4.314,1164 1.415,1165 4.057,1166 4.103,1167 4.023,1168 3.92,1169 5.07,1170 3.94,1171 3.839,1172 3.887,1173 3.787,1174 3.713,1175 4.928,1176 3.725,1177 3.764,1178 3.823,1179 3.683,1180 3.556,1181 4.849,1182 3.579,1183 3.667,1184 3.724,1185 3.577,1186 3.494,1187 4.596,1188 3.506,1189 3.281,1190 3.354,1191 3.179,1192 3.049,1193 4.162,1194 3.071,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.962,1200 2.91,1201 2.92,1202 2.984,1203 2.857,1204 2.735,1205 3.935,1206 2.737,1207 2.854,1208 2.925,1209 2.687,1210 2.707,1211 3.687,1212 2.715,1213 0.148,1214 0.112,1215 0.223,1216 0.137,1217 0.106,1218 4.592,1219 0.138,1220 3.479,1221 0.028,1222 6.903,1223 0.375,1224 4.24,1225 0.101,1226 3.287,1227 4.267,1228 0.86,1229 11.616,1230 3.14,1231 1.889,1232 1.852,1233 1.965,1234 2.056,1235 1.205,1236 2.03,1237 1.819,1238 1.778,1239 1.936,1240 1.965,1241 1.14,1242 1.96,1243 1.694,1244 1.636,1245 1.883,1246 1.924,1247 1.016,1248 1.913,1249 1.539,1250 1.486,1251 1.722,1252 1.733,1253 0.831,1254 1.725,1255 1.373,1256 1.298,1257 1.537,1258 1.612,1259 0.825,1260 1.61,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.592,1266 1.429,1267 0.886,1268 0.821,1269 1.181,1270 1.166,1271 0.274,1272 1.145,1273 0.863,1274 0.797,1275 1.105,1276 1.062,1277 0.218,1278 1.107,1279 4.143,1281 5.46,1282 2.398,1283 6.993,1284 4.727,1285 8.621,1286 6.862,1287 10.3,1295 4.709,1297 5.485,1300 4.413,1305 30.025,1306 73.011,1307 163.048,1308 206.574,1309 216.084,1310 216.084,1311 216.084,1312 29.584,1313 7.826,1314 80.16,1315 80.16,1316 29,1317 12.73,1318 4.248,1319 3.322,1320 35.35,1321 89,1322 88,1323 0.198,1324 181.268,1325 304.79,1326 434.053,1327 24799,1329 18.054,1330 0.669,1331 0.549,1332 18.054,1333 14.823,1334 13.399,1335 0.432,1336 0.292,1337 8.89,1338 12.724,1339 8.768,1340 7.167,1341 13.399,1342 9.065,1343 11.659,1344 0.271,1345 0.151,1346 11.659,1347 6.508,1348 10.46,1349 0.171,1350 0.081,1351 10.46,1352 4.917,1353 9.224,1354 0.109,1355 0.042,1356 9.224,1357 3.584,1358 7.846,1359 0.069,1360 0.021,1361 7.846,1362 2.425,1363 0.297,1364 84.823,1365 0.213,1366 25.282,1367 0.585,1368 148,1369 431.251,1370 164.589,1371 414.22,1372 582.46,1373 394,1374 178,1375 439.946,1376 196.256,1377 443.262,1378 655.16,1379 418,1380 6.357}
{0 CHEMBL2314285,1 1.567,2 9.179,3 2.12,4 4.493,5 107.956,6 7.663,7 0.563,8 4.028,9 4.156,10 3.636,11 3.526,12 5.115,13 3.532,14 4.575,15 4.757,16 3.997,17 3.924,18 5.608,19 3.912,20 4.787,21 5.003,22 4.039,23 4.054,24 5.767,25 4.007,26 4.789,27 5.02,28 3.999,29 4.052,30 5.749,31 3.995,32 4.796,33 5.021,34 4.04,35 4.075,36 5.773,37 4.018,38 4.781,39 4.99,40 4.038,41 4.091,42 5.738,43 4.037,44 4.85,45 5.069,46 3.978,47 4.116,48 5.768,49 4.036,50 4.918,51 5.166,52 3.855,53 4.095,54 5.835,55 3.966,56 0.039,57 0.817,58 9.732,59 3.839,60 8.741,61 5.223,62 0.316,63 1.297,64 19.428,65 6.423,66 22.649,67 8.839,68 0.392,69 1.523,70 25.39,71 8.022,72 31.745,73 11.67,74 0.361,75 1.539,76 25.523,77 7.895,78 32.208,79 11.768,80 0.419,81 1.541,82 25.627,83 8.339,84 34.968,85 12.315,86 0.282,87 1.551,88 24.315,89 8.19,90 25.396,91 11.863,92 0.334,93 1.589,94 26.678,95 8.886,96 25.744,97 12.938,98 0.411,99 1.55,100 30.395,101 11.115,102 41.728,103 15.938,104 2,105 45,106 0.263,107 0.613,108 0.778,109 0.826,110 0.826,111 0.826,112 3.376,113 0.884,114 -2.96,115 -2.96,116 -2.86,119 40.8,121 1,125 5,142 4,143 1,144 2,145 3,146 2,147 1,150 1,163 1,164 1,165 1,172 2,174 4,175 9,180 1,183 1,185 1,186 2,187 5,189 1,190 1,192 1,195 1,197 1,198 3,199 5,207 6,211 5,212 4,220 1,223 1,224 9,226 1,227 1,229 1,234 1,236 1,237 3,242 1,245 2,247 1,249 3,250 2,252 3,253 3,258 2,262 1,263 4,275 1152,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 24.852,283 11.691,284 20.19,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.661,291 36.255,292 5.608,293 16.867,294 4.048,295 1.963,296 0.985,297 0.694,298 0.694,299 0.694,300 4.092,303 1,304 1,305 1,306 574,307 2.121,310 56.463,311 298.924,314 102.792,318 1.276,319 21.513,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 257,332 4.594,333 3.479,334 6.903,335 4.239,336 3.288,337 4.271,338 0.86,339 11.616,340 3.133,341 4.131,342 3.088,343 6.328,344 3.787,345 2.845,346 3.656,347 0.8,348 9.59,349 2.689,350 3.966,351 2.901,352 6.099,353 3.66,354 2.735,355 3.471,356 0.8,357 8.901,358 2.514,359 3.78,360 2.539,361 5.584,362 3.393,363 2.424,364 3.096,366 7.207,367 2.346,368 3.533,369 2.297,370 5.055,371 3.124,372 2.159,373 2.886,375 6.034,376 2.081,377 3.059,378 2.24,379 4.704,380 2.733,381 1.832,382 2.247,384 4.707,385 1.646,386 2.968,387 1.808,388 4.515,389 2.609,390 1.665,391 2.025,393 4.624,394 1.568,395 2.79,396 1.64,397 4.127,398 2.287,399 1.359,400 1.917,402 3.462,403 1.259,404 2.5,405 1.389,406 3.726,407 2.135,408 1.232,409 1.5,411 2.877,412 1.109,413 2.5,414 1.256,415 3.491,416 1.984,417 1,418 1.5,420 2.511,421 0.983,422 2.338,423 1.144,424 3.436,425 1.958,426 1,427 1.327,428 2.275,429 0.956,430 2.214,431 1,432 3.414,433 1.952,434 1,435 1.169,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.922,442 1,443 1,445 2.136,446 0.916,447 1.868,448 0.88,449 3.247,450 1.619,451 0.679,452 0.787,454 1.87,455 0.636,456 1.185,457 -0.02,458 2.789,459 0.809,460 -0.13,461 -0.162,463 -0.303,464 -0.122,465 13.133,466 0.469,467 0.551,468 0.02,469 39.75,470 1.42,471 19.5,472 0.696,473 20.25,474 0.723,475 21.343,476 0.762,477 29.467,478 0.601,479 28.445,480 1.016,481 7.719,482 0.276,483 6.073,484 0.217,485 0.03,487 0.327,493 0.963,494 1.523,495 0.745,496 1.146,497 0.947,498 0.945,499 1.272,500 1.069,501 0.909,502 0.898,503 0.879,504 0.863,505 1.107,506 1.116,507 0.971,508 0.95,509 0.94,510 0.943,511 0.96,512 1.016,513 1.003,514 0.931,515 1.096,516 0.951,517 0.776,518 0.987,519 0.919,520 0.927,521 0.854,522 0.933,523 0.946,524 1.139,525 1.02,526 1.068,527 0.721,528 1.047,529 1.008,530 1.121,531 1.156,532 1.141,533 0.909,534 1.156,535 0.665,536 0.929,537 1.066,538 1.219,539 0.841,540 1.214,541 4,542 0.091,543 3.111,544 1.347,545 1.214,546 1.205,547 0.808,548 0.334,549 0.176,550 0.147,551 9405,552 23868,553 2.223,554 42.9,556 14,558 3,559 2,561 2,564 1.72,565 2.154,566 3.182,567 0.282,568 1,569 1,573 76.792,574 1.567,575 3.652,576 4.63,577 4.921,578 4.921,579 4.921,580 2.494,581 4.236,582 4.775,583 3.326,584 1257.17,585 8.357,586 16046.3,588 1,590 1,591 275.121,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.029,598 0.028,599 0.026,600 0.018,601 0.008,602 0.005,603 0.006,604 0.321,605 0.5,606 0.88,607 0.343,608 137.162,609 -0.071,610 -0.322,611 0.076,612 -0.12,613 -0.056,614 -0.016,615 -0.076,616 0.045,617 0.012,618 0.068,619 0.016,620 0.049,621 -0.064,622 -0.069,623 -0.02,624 0.015,625 -0.012,626 0.002,627 -0.089,628 0.05,629 -0.059,630 0.019,631 -0.182,632 -0.006,633 0.098,634 0.066,635 0.022,636 0.044,637 -0.001,638 0.026,639 -0.096,640 -0.058,641 -0.106,642 -0.089,643 0.011,644 -0.094,645 -0.137,646 -0.075,647 -0.227,648 -0.158,649 -0.101,650 -0.193,651 0.16,652 0.003,653 -0.096,654 -0.195,655 0.089,656 -0.188,657 1.027,658 1.992,659 0.964,660 25.071,661 1.005,662 1.135,663 1.726,664 2.979,665 0.67,666 3.497,667 3.829,668 4.159,669 4.477,670 4.779,671 4.934,672 5.176,673 5.371,674 5.497,675 5.613,676 5.715,677 0.644,678 375.48,679 3.497,680 5.043,681 5.916,682 6.808,683 7.703,684 8.607,685 9.514,686 10.426,687 11.339,688 12.256,689 14.3,693 1,695 1,697 1,699 4,704 7,705 4,709 7,711 18,722 1,726 2,731 49,733 18,735 32,737 53,738 20,739 14,746 5,747 6,755 1,758 1,761 14,762 6,778 1,781 21,782 8,783 2,784 8,790 7,794 0.8,795 1,805 2,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 6,856 1,859 2,870 2,874 1,877 13,878 8.783,879 6.083,880 2.963,881 2.994,882 1.379,883 1.034,884 4.55,885 10.905,886 3.738,887 4.324,888 4.922,889 5.518,890 6.115,891 6.414,892 6.892,893 7.331,894 7.696,895 8.063,896 0.714,897 46,898 10.322,900 4.427,901 7.577,902 20.029,904 16.767,905 2.077,906 58.167,910 223.651,911 101.523,912 106.288,914 11,917 101.523,918 234.651,919 106.288,921 18.036,922 70.802,923 113.455,924 47.603,925 4.227,926 188.338,928 223.651,929 207.811,930 11,933 200.109,934 23.542,935 11,937 55.716,938 84.953,939 67.142,941 223.651,942 117.288,943 101.523,946 223.651,947 36.476,948 71.296,950 111.039,951 223.651,952 117.288,953 101.523,955 0.578,956 0.342,957 0.193,958 0.113,959 24,960 9,961 0.057,962 3,963 1,964 1.074,965 3.963,966 263.95,967 0.074,968 27,969 126.606,974 17.352,975 7.342,976 3.312,978 117.288,979 13.087,980 18.521,984 6.193,986 32.897,987 442.462,988 41,999 49.225,1000 55.604,1001 0.279,1002 0.65,1003 0.825,1004 0.876,1005 0.876,1006 0.876,1007 4.98,1008 1.359,1009 5.889,1010 4.624,1011 4.511,1012 5.011,1013 1.481,1014 6.723,1015 4.394,1016 6.163,1017 1.232,1018 7.452,1019 3.462,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.841,1025 7.459,1026 1,1027 9.121,1028 2.877,1029 6.111,1030 7.158,1031 1.104,1032 10.818,1033 5.887,1034 8.794,1035 1,1036 10.855,1037 2.511,1038 6.494,1039 7.677,1040 0.479,1041 12.638,1042 6.221,1043 10.165,1044 1,1045 12.633,1046 2.275,1047 8.023,1048 9.604,1049 0.854,1050 15.301,1051 7.695,1052 11.561,1053 1,1054 14.441,1055 2.136,1056 8.817,1057 10.535,1058 0.346,1059 17.471,1060 8.442,1061 12.977,1062 0.679,1063 16.27,1064 2.136,1065 10.114,1066 12.212,1067 0.661,1068 19.975,1069 9.687,1070 3.288,1071 -0.13,1072 18.115,1073 1.87,1074 11.105,1075 13.367,1076 0.237,1077 22.293,1078 10.632,1079 2.845,1080 11.616,1081 19.973,1082 -0.303,1083 12.312,1084 14.921,1085 0.505,1086 24.747,1087 11.789,1088 2.735,1089 9.59,1090 21.84,1091 4.271,1092 13.397,1093 16.201,1094 0.158,1095 27.131,1096 12.828,1097 2.424,1098 8.901,1099 23.714,1100 3.656,1101 14.572,1102 17.695,1103 0.382,1104 29.571,1105 13.956,1106 2.159,1107 7.207,1108 25.596,1109 3.471,1110 15.702,1111 19.047,1112 0.104,1113 31.987,1114 15.041,1115 1.832,1116 6.034,1117 27.483,1118 3.096,1119 16.871,1120 20.512,1121 0.285,1122 34.426,1123 16.163,1124 1.665,1125 4.707,1126 29.374,1127 2.886,1128 18.024,1129 21.905,1130 0.068,1131 36.857,1132 17.271,1133 8694,1134 13972,1135 22.364,1136 32.824,1137 48.604,1138 48.771,1139 49.004,1140 48.468,1141 48.433,1142 61.703,1143 4.92,1144 139.893,1145 45.562,1146 5.594,1147 5.479,1148 6.705,1149 5.342,1150 5.288,1151 7.271,1152 1.72,1153 19.164,1154 5.095,1155 7.057,1156 1.519,1157 1.524,1158 1.531,1159 1.515,1160 1.514,1161 1.928,1162 0.154,1163 4.372,1164 1.424,1165 4.061,1166 4.107,1167 4.027,1168 3.927,1169 5.157,1170 3.946,1171 3.856,1172 3.901,1173 3.803,1174 3.74,1175 4.981,1176 3.75,1177 3.785,1178 3.841,1179 3.711,1180 3.618,1181 4.873,1182 3.633,1183 3.688,1184 3.74,1185 3.588,1186 3.511,1187 4.621,1188 3.522,1189 3.297,1190 3.37,1191 3.193,1192 3.083,1193 4.564,1194 3.099,1195 3.111,1196 3.206,1197 2.956,1198 2.941,1199 4.157,1200 2.91,1201 3.042,1202 3.128,1203 2.866,1204 2.822,1205 3.839,1206 2.846,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.79,1212 2.715,1213 0.144,1214 0.109,1215 0.216,1216 0.132,1217 0.103,1218 4.594,1219 0.133,1220 3.479,1221 0.027,1222 6.903,1223 0.363,1224 4.239,1225 0.098,1226 3.288,1227 4.271,1228 0.86,1229 11.616,1230 3.133,1231 1.906,1232 1.871,1233 1.982,1234 2.061,1235 1.205,1236 2.038,1237 1.826,1238 1.785,1239 1.939,1240 1.969,1241 1.14,1242 1.963,1243 1.724,1244 1.671,1245 1.907,1246 1.941,1247 1.023,1248 1.934,1249 1.591,1250 1.545,1251 1.767,1252 1.763,1253 0.907,1254 1.761,1255 1.376,1256 1.301,1257 1.564,1258 1.613,1259 0.825,1260 1.615,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.676,1266 1.429,1267 0.962,1268 0.891,1269 1.218,1270 1.266,1271 0.274,1272 1.26,1273 0.886,1274 0.821,1275 1.181,1276 1.165,1277 0.218,1278 1.144,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.666,1286 6.862,1287 10.345,1293 5.831,1295 4.643,1297 5.492,1300 4.4,1305 31.552,1306 76.792,1307 178.94,1308 226.856,1309 241.121,1310 241.121,1311 241.121,1312 33.12,1313 7.911,1314 93.29,1315 93.29,1316 29,1317 12.768,1318 4.248,1319 3.322,1320 37.251,1321 96,1322 101,1323 0.194,1324 190.86,1325 322.09,1326 457.458,1327 27438,1329 18.924,1330 0.676,1331 0.552,1332 18.924,1333 15.453,1334 13.793,1335 0.431,1336 0.295,1337 9.259,1338 13.16,1339 9.122,1340 7.462,1341 13.793,1342 9.425,1343 12.28,1344 0.273,1345 0.152,1346 12.28,1347 6.858,1348 10.871,1349 0.173,1350 0.081,1351 10.871,1352 5.112,1353 9.376,1354 0.108,1355 0.042,1356 9.376,1357 3.681,1358 8.076,1359 0.068,1360 0.021,1361 8.076,1362 2.527,1363 0.292,1364 86.929,1365 0.211,1366 26.113,1367 0.57,1368 154,1369 428.918,1370 170.506,1371 415.256,1372 586.01,1373 394,1374 185,1375 447.031,1376 203.144,1377 450.584,1378 667.44,1379 426,1380 6.469}
{0 CHEMBL2314286,1 1.567,2 9.179,3 2.23,4 4.974,5 108.641,6 7.663,7 0.563,8 4.028,9 4.156,10 3.636,11 3.526,12 5.115,13 3.532,14 4.576,15 4.758,16 3.997,17 3.927,18 5.617,19 3.913,20 4.785,21 5,22 4.033,23 4.059,24 5.744,25 4.013,26 4.789,27 5.015,28 3.999,29 4.069,30 5.758,31 4.007,32 4.812,33 5.038,34 4.037,35 4.093,36 5.762,37 4.03,38 4.809,39 5.029,40 4.045,41 4.096,42 5.768,43 4.039,44 4.835,45 5.049,46 3.972,47 4.127,48 5.742,49 4.042,50 4.937,51 5.187,52 3.859,53 4.101,54 5.84,55 3.97,56 0.039,57 0.817,58 9.732,59 3.839,60 8.741,61 5.223,62 0.338,63 1.298,64 19.456,65 6.504,66 24.982,67 8.898,68 0.355,69 1.518,70 25.307,71 7.965,72 27.771,73 11.633,74 0.376,75 1.546,76 25.278,77 8.094,78 33.757,79 11.894,80 0.33,81 1.553,82 26.021,83 8.7,84 31.694,85 12.927,86 0.388,87 1.58,88 25.55,89 8.355,90 29.403,91 12.101,92 0.286,93 1.569,94 25.956,95 9.297,96 22.573,97 13.349,98 0.353,99 1.572,100 31.03,101 11.416,102 40.044,103 16.392,104 2,105 45,106 0.263,107 0.62,108 0.768,109 0.817,110 0.826,111 0.826,112 3.376,113 0.884,114 -3.77,115 -3.73,116 -3.55,119 40.8,121 1,125 5,142 4,143 2,144 1,145 3,146 1,147 2,150 1,163 1,164 1,165 1,172 3,174 4,175 11,177 1,178 1,180 1,183 3,185 1,186 1,187 4,192 1,195 2,197 1,198 4,199 8,204 1,207 6,209 1,211 2,212 5,220 1,223 4,224 9,226 1,227 1,229 1,232 2,234 1,236 1,237 2,242 1,245 2,247 1,249 2,250 5,252 3,253 3,258 2,262 1,263 4,275 1152,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 24.852,283 11.691,284 20.202,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.661,291 36.255,292 5.608,293 16.877,294 4.048,295 1.922,296 1.041,297 0.75,298 0.694,299 0.694,300 4.092,303 1,304 1,305 1,306 574,307 2.121,310 56.463,311 298.924,314 102.792,318 1.276,319 21.004,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 257,332 4.594,333 3.479,334 6.903,335 4.241,336 3.288,337 4.271,338 0.86,339 11.616,340 3.142,341 4.131,342 3.088,343 6.328,344 3.792,345 2.845,346 3.656,347 0.8,348 9.59,349 2.705,350 3.966,351 2.901,352 6.099,353 3.662,354 2.735,355 3.471,356 0.8,357 8.901,358 2.517,359 3.78,360 2.539,361 5.584,362 3.384,363 2.424,364 3.096,366 7.207,367 2.328,368 3.533,369 2.297,370 5.055,371 3.114,372 2.159,373 2.886,375 6.034,376 2.056,377 3.059,378 2.24,379 4.704,380 2.733,381 1.832,382 2.247,384 4.707,385 1.647,386 2.968,387 1.808,388 4.515,389 2.614,390 1.665,391 2.025,393 4.624,394 1.576,395 2.79,396 1.64,397 4.127,398 2.291,399 1.359,400 1.917,402 3.462,403 1.263,404 2.5,405 1.389,406 3.726,407 2.137,408 1.232,409 1.5,411 2.877,412 1.11,413 2.5,414 1.256,415 3.491,416 1.984,417 1,418 1.5,420 2.511,421 0.983,422 2.338,423 1.144,424 3.436,425 1.959,426 1,427 1.327,428 2.275,429 0.956,430 2.214,431 1,432 3.414,433 1.952,434 1,435 1.169,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.922,442 1,443 1,445 2.136,446 0.916,447 1.868,448 0.88,449 3.247,450 1.621,451 0.679,452 0.787,454 1.87,455 0.638,456 1.185,457 -0.02,458 2.789,459 0.809,460 -0.13,461 -0.162,463 -0.303,464 -0.122,465 13.133,466 0.469,467 0.551,468 0.02,469 39.75,470 1.42,471 19.5,472 0.696,473 20.25,474 0.723,475 21.37,476 0.763,477 29.467,478 0.601,479 28.417,480 1.015,481 7.72,482 0.276,483 6.073,484 0.217,485 0.03,487 0.327,493 0.963,494 1.523,495 0.745,496 1.146,497 0.947,498 0.945,499 1.235,500 1.001,501 0.908,502 0.88,503 0.833,504 0.858,505 1.163,506 1.158,507 0.977,508 0.948,509 0.951,510 0.936,511 0.919,512 0.963,513 1.031,514 0.948,515 1.114,516 0.984,517 0.756,518 1.138,519 0.896,520 1.007,521 0.78,522 0.97,523 0.927,524 0.959,525 1.024,526 0.976,527 0.722,528 0.998,529 0.881,530 1.146,531 1.123,532 1.203,533 0.83,534 1.196,535 0.673,536 0.993,537 1.048,538 1.261,539 0.833,540 1.228,541 4,542 0.091,543 3.111,544 1.347,545 1.214,546 1.205,547 0.808,548 0.334,549 0.176,550 0.147,551 9405,552 24012,553 2.223,554 42.9,556 14,558 3,559 2,561 2,564 1.72,565 2.154,566 3.182,567 0.282,568 1,569 1,573 76.792,574 1.567,575 3.693,576 4.573,577 4.865,578 4.921,579 4.921,580 2.494,581 4.236,582 4.775,583 3.326,584 1257.17,585 8.357,586 16046.3,588 1,590 1,591 275.121,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.029,598 0.028,599 0.026,600 0.018,601 0.008,602 0.005,603 0.006,604 0.321,605 0.5,606 0.88,607 0.343,608 137.162,609 -0.071,610 -0.322,611 0.076,612 -0.12,613 -0.056,614 -0.016,615 -0.038,616 0.114,617 0.013,618 0.087,619 0.063,620 0.055,621 -0.135,622 -0.114,623 -0.03,624 0.023,625 -0.07,626 0.013,627 -0.067,628 0.111,629 -0.097,630 0.009,631 -0.188,632 -0.037,633 0.053,634 -0.108,635 0.041,636 -0.013,637 0.012,638 0.01,639 -0.031,640 0.12,641 -0.093,642 -0.015,643 0.037,644 -0.054,645 -0.082,646 -0.11,647 -0.208,648 -0.191,649 -0.074,650 -0.211,651 0.132,652 -0.073,653 -0.076,654 -0.232,655 0.079,656 -0.196,657 1.165,658 1.994,659 0.964,660 25.071,661 1.005,662 1.135,663 2.538,664 6.442,665 0.67,666 3.497,667 3.829,668 4.159,669 4.477,670 4.779,671 4.934,672 5.176,673 5.371,674 5.497,675 5.613,676 5.715,677 0.644,678 375.48,679 3.497,680 5.043,681 5.916,682 6.808,683 7.703,684 8.607,685 9.514,686 10.426,687 11.339,688 12.256,689 14.3,693 1,695 1,697 1,699 4,704 7,705 4,709 7,711 18,722 1,726 2,731 49,733 18,735 32,737 53,738 20,739 14,746 5,747 6,755 1,758 1,761 14,762 6,778 1,781 21,782 8,783 2,784 8,790 7,794 0.8,795 1,805 2,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 6,856 1,859 2,870 2,874 1,877 13,878 8.783,879 6.083,880 2.963,881 2.994,882 1.379,883 1.034,884 4.55,885 10.905,886 3.738,887 4.324,888 4.922,889 5.518,890 6.115,891 6.414,892 6.892,893 7.331,894 7.696,895 8.063,896 0.714,897 46,898 10.319,900 4.423,901 7.577,902 20.029,904 16.767,905 2.077,906 58.167,910 223.651,911 101.523,912 106.288,914 11,917 101.523,918 234.651,919 106.288,921 18.036,922 70.802,923 113.455,924 45.276,925 6.555,926 188.338,928 223.651,929 207.811,930 11,933 200.109,934 23.542,935 11,937 52.959,938 87.71,939 67.142,941 223.651,942 117.288,943 101.523,946 223.651,947 36.476,948 71.296,950 111.039,951 223.651,952 117.288,953 101.523,955 0.578,956 0.342,957 0.193,958 0.113,959 24,960 9,961 0.057,962 3,963 1,964 1.074,965 3.963,966 263.95,967 0.074,968 27,969 126.606,974 17.352,975 7.342,976 3.312,978 117.288,979 13.212,980 18.291,984 6.294,986 32.897,987 442.462,988 41,999 49.225,1000 55.604,1001 0.279,1002 0.658,1003 0.815,1004 0.866,1005 0.876,1006 0.876,1007 4.98,1008 1.359,1009 5.889,1010 4.624,1011 4.511,1012 5.011,1013 1.481,1014 6.723,1015 4.394,1016 6.163,1017 1.232,1018 7.452,1019 3.462,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.843,1025 7.459,1026 1,1027 9.121,1028 2.877,1029 6.111,1030 7.158,1031 1.104,1032 10.818,1033 5.89,1034 8.794,1035 1,1036 10.855,1037 2.511,1038 6.494,1039 7.677,1040 0.479,1041 12.638,1042 6.229,1043 10.165,1044 1,1045 12.633,1046 2.275,1047 8.023,1048 9.604,1049 0.854,1050 15.301,1051 7.704,1052 11.561,1053 1,1054 14.441,1055 2.136,1056 8.817,1057 10.535,1058 0.346,1059 17.471,1060 8.457,1061 12.977,1062 0.679,1063 16.27,1064 2.136,1065 10.114,1066 12.212,1067 0.661,1068 19.975,1069 9.705,1070 3.288,1071 -0.13,1072 18.115,1073 1.87,1074 11.105,1075 13.367,1076 0.237,1077 22.293,1078 10.655,1079 2.845,1080 11.616,1081 19.973,1082 -0.303,1083 12.312,1084 14.921,1085 0.505,1086 24.747,1087 11.815,1088 2.735,1089 9.59,1090 21.84,1091 4.271,1092 13.397,1093 16.201,1094 0.158,1095 27.131,1096 12.858,1097 2.424,1098 8.901,1099 23.714,1100 3.656,1101 14.572,1102 17.695,1103 0.382,1104 29.571,1105 13.99,1106 2.159,1107 7.207,1108 25.596,1109 3.471,1110 15.702,1111 19.047,1112 0.104,1113 31.987,1114 15.078,1115 1.832,1116 6.034,1117 27.483,1118 3.096,1119 16.871,1120 20.512,1121 0.285,1122 34.426,1123 16.204,1124 1.665,1125 4.707,1126 29.374,1127 2.886,1128 18.024,1129 21.905,1130 0.068,1131 36.857,1132 17.315,1133 8694,1134 14012,1135 22.364,1136 32.824,1137 48.604,1138 48.771,1139 49.004,1140 48.472,1141 48.433,1142 61.703,1143 4.92,1144 139.893,1145 45.561,1146 5.594,1147 5.479,1148 6.705,1149 5.344,1150 5.288,1151 7.271,1152 1.72,1153 19.164,1154 5.097,1155 7.057,1156 1.519,1157 1.524,1158 1.531,1159 1.515,1160 1.514,1161 1.928,1162 0.154,1163 4.372,1164 1.424,1165 4.063,1166 4.108,1167 4.028,1168 3.935,1169 5.181,1170 3.952,1171 3.856,1172 3.901,1173 3.803,1174 3.741,1175 4.982,1176 3.751,1177 3.783,1178 3.839,1179 3.708,1180 3.607,1181 4.87,1182 3.624,1183 3.685,1184 3.738,1185 3.586,1186 3.509,1187 4.605,1188 3.52,1189 3.294,1190 3.368,1191 3.191,1192 3.076,1193 4.522,1194 3.093,1195 3.111,1196 3.206,1197 2.959,1198 2.941,1199 4.158,1200 2.91,1201 3.051,1202 3.14,1203 2.866,1204 2.826,1205 3.886,1206 2.85,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.773,1212 2.715,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.594,1219 0.133,1220 3.479,1221 0.027,1222 6.903,1223 0.363,1224 4.241,1225 0.098,1226 3.288,1227 4.271,1228 0.86,1229 11.616,1230 3.142,1231 1.915,1232 1.882,1233 1.989,1234 2.062,1235 1.207,1236 2.041,1237 1.826,1238 1.785,1239 1.939,1240 1.969,1241 1.147,1242 1.963,1243 1.718,1244 1.663,1245 1.906,1246 1.94,1247 1.032,1248 1.932,1249 1.579,1250 1.532,1251 1.757,1252 1.758,1253 0.905,1254 1.753,1255 1.375,1256 1.3,1257 1.558,1258 1.613,1259 0.825,1260 1.614,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.656,1266 1.429,1267 0.972,1268 0.898,1269 1.228,1270 1.282,1271 0.274,1272 1.278,1273 0.886,1274 0.821,1275 1.181,1276 1.165,1277 0.218,1278 1.144,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.666,1286 6.862,1287 10.345,1293 5.782,1295 4.679,1297 5.494,1300 4.415,1305 31.552,1306 76.792,1307 180.94,1308 224.101,1309 238.366,1310 241.121,1311 241.121,1312 32.621,1313 7.911,1314 93.29,1315 93.29,1316 29,1317 12.768,1318 4.248,1319 3.322,1320 37.251,1321 96,1322 101,1323 0.194,1324 190.86,1325 322.09,1326 457.458,1327 27438,1329 18.924,1330 0.676,1331 0.552,1332 18.924,1333 15.453,1334 13.793,1335 0.431,1336 0.295,1337 9.259,1338 13.156,1339 9.123,1340 7.461,1341 13.793,1342 9.425,1343 12.28,1344 0.273,1345 0.152,1346 12.28,1347 6.853,1348 10.871,1349 0.173,1350 0.082,1351 10.871,1352 5.143,1353 9.376,1354 0.108,1355 0.043,1356 9.376,1357 3.708,1358 8.076,1359 0.068,1360 0.022,1361 8.076,1362 2.55,1363 0.292,1364 86.929,1365 0.211,1366 26.113,1367 0.57,1368 154,1369 428.918,1370 170.561,1371 415.207,1372 585.97,1373 394,1374 185,1375 447.031,1376 202.756,1377 450.48,1378 666.88,1379 426,1380 6.62}
{0 CHEMBL2314287,1 1.603,2 9.179,3 1.584,4 2.509,5 107.095,6 7.843,7 0.563,8 4.017,9 4.147,10 3.643,11 3.492,12 5.124,13 3.51,14 4.563,15 4.749,16 4.005,17 3.892,18 5.639,19 3.889,20 4.756,21 4.97,22 4.034,23 4.024,24 5.731,25 3.988,26 4.762,27 4.986,28 4.002,29 4.038,30 5.758,31 3.986,32 4.792,33 5.016,34 4.042,35 4.061,36 5.759,37 4.007,38 4.794,39 5.019,40 4.054,41 4.053,42 5.786,43 4.009,44 4.793,45 5.001,46 3.974,47 4.081,48 5.73,49 4.008,50 4.912,51 5.165,52 3.869,53 4.041,54 5.853,55 3.928,56 0.062,57 0.822,58 9.202,59 3.559,60 8.728,61 4.86,62 0.419,63 1.284,64 18.872,65 6.111,66 28.713,67 8.324,68 0.397,69 1.479,70 24.089,71 7.388,72 26.61,73 10.848,74 0.434,75 1.507,76 24.031,77 7.539,78 35.011,79 11.059,80 0.361,81 1.523,82 25.003,83 8.207,84 30.378,85 12.298,86 0.506,87 1.546,88 24.967,89 7.766,90 31.983,91 11.274,92 0.312,93 1.515,94 24.083,95 8.541,96 21.837,97 12.282,98 0.434,99 1.512,100 30.181,101 10.229,102 43.515,103 14.966,104 2,105 45,106 0.27,107 0.622,108 0.768,109 0.801,110 0.801,111 0.801,112 3.376,113 0.87,114 -3.21,115 -3.2,116 -3.07,119 39.6,121 1,125 5,142 2,143 2,144 1,145 4,146 1,147 1,150 2,163 1,164 1,165 1,172 1,174 5,175 11,177 2,178 2,183 2,186 1,187 2,195 1,198 5,199 8,204 1,207 4,209 1,211 2,212 3,223 7,224 6,226 1,227 1,229 1,232 2,234 1,236 1,237 2,242 1,247 1,249 2,250 6,252 3,253 3,262 2,263 2,275 1152,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 24.852,283 11.691,284 20.272,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.661,291 36.255,292 5.608,293 16.986,294 3.982,295 1.894,296 1.031,297 0.833,298 0.833,299 0.833,300 4.092,303 1,304 1,305 1,306 574,307 2.121,310 56.463,311 298.924,314 102.792,318 1.276,319 22.583,321 1,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 61,331 257,332 4.594,333 3.479,334 6.903,335 4.241,336 3.288,337 4.271,338 0.86,339 11.616,340 3.14,341 4.131,342 3.088,343 6.328,344 3.789,345 2.845,346 3.656,347 0.8,348 9.59,349 2.696,350 3.966,351 2.901,352 6.099,353 3.659,354 2.735,355 3.471,356 0.8,357 8.901,358 2.511,359 3.78,360 2.539,361 5.584,362 3.368,363 2.424,364 3.096,366 7.207,367 2.298,368 3.533,369 2.297,370 5.055,371 3.097,372 2.159,373 2.886,375 6.034,376 2.01,377 3.059,378 2.24,379 4.704,380 2.733,381 1.832,382 2.247,384 4.707,385 1.646,386 2.968,387 1.808,388 4.515,389 2.611,390 1.665,391 2.025,393 4.624,394 1.571,395 2.79,396 1.64,397 4.127,398 2.289,399 1.359,400 1.917,402 3.462,403 1.261,404 2.5,405 1.389,406 3.726,407 2.136,408 1.232,409 1.5,411 2.877,412 1.109,413 2.5,414 1.256,415 3.491,416 1.984,417 1,418 1.5,420 2.511,421 0.983,422 2.338,423 1.144,424 3.436,425 1.952,426 1,427 1.327,428 2.275,429 0.946,430 2.214,431 1,432 3.414,433 1.922,434 1,435 1.169,436 2.136,437 0.916,438 2,439 1,440 3.247,441 1.917,442 1,443 1,445 2.136,446 0.916,447 1.868,448 0.88,449 3.247,450 1.619,451 0.679,452 0.787,454 1.87,455 0.636,456 1.185,457 -0.02,458 2.789,459 0.792,460 -0.13,461 -0.162,463 -0.303,464 -0.119,465 13.033,466 0.465,467 0.551,468 0.02,469 40.25,470 1.438,471 19.5,472 0.696,473 20.75,474 0.741,475 21.07,476 0.753,477 29.567,478 0.616,479 28.717,480 1.026,481 7.798,482 0.278,483 5.995,484 0.214,485 0.031,487 0.33,493 0.969,494 1.608,495 0.723,496 1.189,497 0.927,498 0.953,499 1.181,500 0.919,501 0.891,502 0.84,503 0.786,504 0.83,505 1.142,506 1.188,507 0.961,508 0.962,509 0.882,510 0.936,511 0.905,512 0.937,513 1.036,514 0.95,515 1.092,516 0.992,517 0.734,518 1.205,519 0.879,520 1.06,521 0.752,522 0.998,523 0.898,524 0.848,525 1.01,526 0.919,527 0.748,528 0.963,529 0.87,530 1.215,531 1.109,532 1.259,533 0.852,534 1.227,535 0.773,536 1.026,537 1.064,538 1.258,539 0.912,540 1.224,541 4,542 0.091,543 3.111,544 1.347,545 1.214,546 1.205,547 0.808,548 0.334,549 0.176,550 0.147,551 9405,552 25080,553 2.223,554 41.7,556 12,558 4,559 2,561 2,564 1.72,565 2.154,566 3.182,567 0.318,568 1,569 1,573 76.929,574 1.603,575 3.691,576 4.554,577 4.752,578 4.752,579 4.752,580 2.494,581 4.236,582 4.775,583 3.326,584 1257.17,585 8.357,586 16046.3,588 1,590 1,591 268.078,592 1.108,593 4.769,594 0.125,595 0.007,596 0.069,597 0.029,598 0.028,599 0.026,600 0.018,601 0.008,602 0.005,603 0.006,604 0.321,605 0.5,606 0.88,607 0.343,608 137.162,609 -0.092,610 -0.392,611 0.076,612 -0.156,613 -0.051,614 -0.032,615 -0.005,616 0.197,617 0.022,618 0.123,619 0.114,620 0.075,621 -0.147,622 -0.147,623 -0.023,624 0.021,625 -0.053,626 0.019,627 -0.066,628 0.138,629 -0.114,630 0.014,631 -0.185,632 -0.044,633 0.054,634 -0.18,635 0.051,636 -0.053,637 0.018,638 -0.008,639 0.018,640 0.228,641 -0.077,642 0.033,643 0.044,644 -0.027,645 -0.081,646 -0.171,647 -0.208,648 -0.233,649 -0.085,650 -0.238,651 0.087,652 -0.102,653 -0.078,654 -0.242,655 0.045,656 -0.198,657 1.415,658 1.984,659 0.964,660 25.071,661 1.009,662 1.139,663 1.978,664 3.911,665 0.668,666 3.497,667 3.829,668 4.159,669 4.477,670 4.779,671 4.934,672 5.176,673 5.371,674 5.497,675 5.613,676 5.715,677 0.647,678 376.47,679 3.497,680 5.043,681 5.916,682 6.808,683 7.703,684 8.607,685 9.514,686 10.426,687 11.339,688 12.256,689 16.7,693 1,695 1,697 1,699 5,704 6,705 5,709 7,711 18,722 1,726 2,731 48,733 18,735 32,737 52,738 19,739 13,746 5,747 6,755 1,758 1,761 13,762 6,778 1,781 20,782 9,783 2,784 9,790 8,794 0.8,795 1,805 1,806 2,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 6,856 1,859 2,870 2.1,874 1,877 13,878 8.65,879 6.083,880 2.885,881 2.994,882 1.379,883 1.031,884 4.51,885 10.905,886 3.738,887 4.324,888 4.922,889 5.518,890 6.115,891 6.414,892 6.892,893 7.331,894 7.696,895 8.063,896 0.714,897 46,898 10.306,900 4.417,901 7.613,902 19.899,904 16.575,905 2.113,906 59.167,910 211.88,911 91.189,912 123.073,914 11,917 91.189,918 222.88,919 123.073,921 18.036,922 51.85,923 142.012,924 54.323,925 6.126,926 164.795,928 211.88,929 214.263,930 11,933 188.338,934 23.542,935 11,937 63.905,938 66.43,939 83.928,941 211.88,942 134.073,943 91.189,946 211.88,947 36.047,948 61.391,950 127.825,951 211.88,952 134.073,953 91.189,955 0.578,956 0.342,957 0.193,958 0.113,959 24,960 9,961 0.058,962 3,963 1,964 1.074,965 3.963,966 263.95,967 0.074,968 27,969 122.606,974 17.292,975 7.304,976 3.291,978 134.073,979 11.041,980 22.263,984 5.759,986 32.897,987 437.143,988 41,999 48.443,1000 54.687,1001 0.287,1002 0.661,1003 0.815,1004 0.851,1005 0.851,1006 0.851,1007 4.98,1008 1.359,1009 5.889,1010 4.624,1011 4.511,1012 5.011,1013 1.481,1014 6.723,1015 4.383,1016 6.163,1017 1.232,1018 7.452,1019 3.462,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.832,1025 7.459,1026 1,1027 9.121,1028 2.877,1029 6.111,1030 7.158,1031 1.104,1032 10.818,1033 5.87,1034 8.794,1035 1,1036 10.855,1037 2.511,1038 6.494,1039 7.677,1040 0.479,1041 12.638,1042 6.214,1043 10.165,1044 1,1045 12.633,1046 2.275,1047 8.023,1048 9.604,1049 0.854,1050 15.301,1051 7.682,1052 11.561,1053 1,1054 14.441,1055 2.136,1056 8.817,1057 10.535,1058 0.346,1059 17.471,1060 8.441,1061 12.977,1062 0.679,1063 16.27,1064 2.136,1065 10.114,1066 12.212,1067 0.661,1068 19.975,1069 9.684,1070 3.288,1071 -0.13,1072 18.115,1073 1.87,1074 11.105,1075 13.367,1076 0.237,1077 22.293,1078 10.638,1079 2.845,1080 11.616,1081 19.973,1082 -0.303,1083 12.312,1084 14.921,1085 0.505,1086 24.747,1087 11.796,1088 2.735,1089 9.59,1090 21.84,1091 4.271,1092 13.397,1093 16.201,1094 0.158,1095 27.131,1096 12.842,1097 2.424,1098 8.901,1099 23.714,1100 3.656,1101 14.572,1102 17.695,1103 0.382,1104 29.571,1105 13.973,1106 2.159,1107 7.207,1108 25.596,1109 3.471,1110 15.702,1111 19.047,1112 0.104,1113 31.987,1114 15.063,1115 1.832,1116 6.034,1117 27.483,1118 3.096,1119 16.871,1120 20.512,1121 0.285,1122 34.426,1123 16.188,1124 1.665,1125 4.707,1126 29.374,1127 2.886,1128 18.024,1129 21.905,1130 0.068,1131 36.857,1132 17.3,1133 8694,1134 14328,1135 22.364,1136 32.069,1137 48.604,1138 48.771,1139 49.004,1140 48.472,1141 48.433,1142 61.703,1143 4.92,1144 139.893,1145 45.279,1146 5.594,1147 5.479,1148 6.705,1149 5.344,1150 5.288,1151 7.271,1152 1.72,1153 19.164,1154 5.077,1155 7.057,1156 1.519,1157 1.524,1158 1.531,1159 1.515,1160 1.514,1161 1.928,1162 0.154,1163 4.372,1164 1.415,1165 4.058,1166 4.105,1167 4.025,1168 3.921,1169 5.24,1170 3.941,1171 3.843,1172 3.893,1173 3.794,1174 3.715,1175 4.982,1176 3.727,1177 3.771,1178 3.832,1179 3.698,1180 3.561,1181 4.87,1182 3.586,1183 3.676,1184 3.733,1185 3.583,1186 3.497,1187 4.611,1188 3.51,1189 3.291,1190 3.366,1191 3.189,1192 3.058,1193 4.558,1194 3.081,1195 3.111,1196 3.206,1197 2.953,1198 2.941,1199 4.158,1200 2.91,1201 3.046,1202 3.138,1203 2.866,1204 2.787,1205 3.962,1206 2.823,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.869,1212 2.715,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.594,1219 0.133,1220 3.479,1221 0.027,1222 6.903,1223 0.363,1224 4.241,1225 0.098,1226 3.288,1227 4.271,1228 0.86,1229 11.616,1230 3.14,1231 1.89,1232 1.853,1233 1.964,1234 2.059,1235 1.205,1236 2.031,1237 1.82,1238 1.779,1239 1.935,1240 1.967,1241 1.14,1242 1.96,1243 1.696,1244 1.638,1245 1.881,1246 1.933,1247 1.016,1248 1.917,1249 1.546,1250 1.493,1251 1.721,1252 1.75,1253 0.83,1254 1.737,1255 1.373,1256 1.298,1257 1.539,1258 1.613,1259 0.825,1260 1.613,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.588,1266 1.429,1267 0.95,1268 0.86,1269 1.224,1270 1.282,1271 0.274,1272 1.278,1273 0.886,1274 0.821,1275 1.181,1276 1.165,1277 0.218,1278 1.144,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.666,1286 6.862,1287 10.345,1293 5.671,1295 4.575,1297 5.484,1300 4.374,1305 31.047,1306 76.929,1307 177.184,1308 218.568,1309 228.078,1310 228.078,1311 228.078,1312 32.26,1313 7.911,1314 106.18,1315 106.18,1316 29,1317 12.768,1318 4.248,1319 3.322,1320 37.251,1321 96,1322 101,1323 0.194,1324 188.062,1325 315.79,1326 450.631,1327 27438,1329 18.924,1330 0.676,1331 0.547,1332 18.924,1333 15.323,1334 13.793,1335 0.431,1336 0.29,1337 9.102,1338 13.088,1339 8.981,1340 7.34,1341 13.793,1342 9.285,1343 12.28,1344 0.273,1345 0.149,1346 12.28,1347 6.711,1348 10.871,1349 0.173,1350 0.08,1351 10.871,1352 5.028,1353 9.376,1354 0.108,1355 0.042,1356 9.376,1357 3.623,1358 8.076,1359 0.068,1360 0.021,1361 8.076,1362 2.476,1363 0.292,1364 87.383,1365 0.211,1366 26.113,1367 0.57,1368 154,1369 448.564,1370 172.393,1371 432.436,1372 608.37,1373 410,1374 185,1375 463.496,1376 204.421,1377 465.952,1378 689.58,1379 440,1380 7.585}
{0 CHEMBL2314577,1 1.572,2 8.821,3 3.86,4 14.9,5 107.792,6 7.663,7 0.563,8 4.025,9 4.139,10 3.632,11 3.545,12 5.11,13 3.547,14 4.573,15 4.743,16 3.998,17 3.945,18 5.623,19 3.928,20 4.801,21 5.01,22 4.039,23 4.064,24 5.777,25 4.017,26 4.787,27 5.011,28 4.02,29 4.047,30 5.787,31 4,32 4.783,33 4.99,34 4.058,35 4.091,36 5.812,37 4.04,38 4.821,39 5.026,40 4.061,41 4.136,42 5.772,43 4.078,44 4.892,45 5.096,46 4.02,47 4.162,48 5.868,49 4.073,50 4.973,51 5.229,52 3.824,53 4.101,54 5.844,55 3.973,56 0.04,57 0.767,58 9.672,59 4.189,60 7.975,61 5.375,62 0.317,63 1.268,64 19.165,65 6.964,66 22.676,67 9.112,68 0.358,69 1.504,70 25.947,71 8.631,72 30.693,73 12.058,74 0.384,75 1.539,76 25.558,77 7.92,78 35.586,79 11.398,80 0.395,81 1.522,82 24.795,83 8.362,84 38.803,85 11.924,86 0.298,87 1.576,88 25.447,89 9.038,90 22.242,91 12.557,92 0.419,93 1.595,94 27.812,95 10.515,96 35.21,97 14.538,98 0.359,99 1.586,100 33.281,101 11.739,102 42.138,103 16.618,104 2,105 45,106 0.264,107 0.6,108 0.768,109 0.854,110 0.861,111 0.861,112 3.376,113 0.892,114 -4.74,115 -4.65,116 -4.37,119 42.9,121 1,125 5,142 7,143 2,144 1,145 1,146 1,147 2,150 1,172 7,174 5,175 8,180 2,183 6,186 1,187 6,192 2,195 5,198 3,199 9,204 1,207 5,211 2,212 9,215 1,217 1,220 4,223 2,224 7,229 1,232 4,236 1,237 9,240 3,245 3,250 6,258 4,262 1,263 3,266 1,268 1,271 4,275 1138,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 23.846,283 11.727,284 20.146,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.667,291 34.918,292 5.627,293 16.833,294 4.043,295 2.045,296 1.044,297 0.531,298 0.49,299 0.49,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 55.839,311 296.886,314 101.464,318 1.204,319 23.226,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 247,332 4.596,333 3.48,334 6.904,335 4.241,336 3.289,337 4.275,338 0.86,339 11.621,340 3.143,341 4.143,342 3.089,343 6.334,344 3.796,345 2.852,346 3.675,347 0.8,348 9.617,349 2.703,350 3.973,351 2.927,352 6.101,353 3.67,354 2.744,355 3.475,356 0.8,357 8.913,358 2.52,359 3.775,360 2.62,361 5.609,362 3.386,363 2.425,364 3.089,366 7.324,367 2.324,368 3.478,369 2.297,370 5.068,371 3.059,372 2.106,373 2.812,375 5.971,376 2.001,377 3.037,378 2.239,379 4.64,380 2.731,381 1.829,382 2.217,384 4.679,385 1.646,386 2.966,387 1.801,388 4.503,389 2.611,390 1.64,391 2.025,393 4.475,394 1.588,395 2.808,396 1.64,397 4.115,398 2.325,399 1.367,400 1.943,402 3.447,403 1.306,404 2.602,405 1.415,406 3.722,407 2.181,408 1.252,409 1.648,411 2.886,412 1.163,413 2.5,414 1.256,415 3.491,416 2.087,417 1.121,418 1.5,420 2.56,421 1.076,422 2.336,423 1.201,424 3.481,425 1.959,426 1,427 1.324,428 2.511,429 0.956,430 2.212,431 1.133,432 3.419,433 1.952,434 1,435 1.168,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.923,442 1,443 1,445 2.136,446 0.917,447 1.848,448 0.8,449 3.247,450 1.584,451 0.636,452 0.754,454 1.774,455 0.601,456 1.016,457 -0.057,458 2.778,459 0.634,460 -0.316,461 -0.387,463 -0.804,464 -0.298,465 13.167,466 0.47,467 0.551,468 0.02,469 39.25,470 1.402,471 19.5,472 0.696,473 19.75,474 0.705,475 21.604,476 0.772,477 29.433,478 0.601,479 28.377,480 1.013,481 7.655,482 0.273,483 6.138,484 0.219,485 0.025,487 0.327,493 0.928,494 1.46,495 0.745,496 1.12,497 0.885,498 0.941,499 1.084,500 0.989,501 0.91,502 0.915,503 0.717,504 0.89,505 1.103,506 1.194,507 0.955,508 0.956,509 0.961,510 0.934,511 0.988,512 1,513 0.992,514 0.863,515 0.995,516 0.892,517 0.815,518 1.106,519 0.955,520 0.949,521 0.801,522 0.955,523 0.891,524 1.05,525 1.025,526 1.029,527 0.716,528 1.027,529 0.758,530 1.152,531 1.098,532 1.224,533 0.882,534 1.22,535 0.914,536 0.956,537 1.061,538 1.101,539 0.942,540 1.101,541 4,542 0.062,543 2.889,544 1.472,545 1.214,546 1.15,547 0.736,548 0.348,549 0.158,550 0.126,551 9305,552 23564,553 2.223,554 42.9,556 17,558 1,559 1,561 2,564 1.72,565 2.154,566 3.133,567 -0.323,569 1,573 77.034,574 1.572,575 3.57,576 4.571,577 5.084,578 5.125,579 5.125,580 2.445,581 4.379,582 4.777,583 3.286,584 1241.93,585 8.362,586 15880.2,588 1,590 1,591 275.121,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.027,599 0.024,600 0.016,601 0.008,602 0.005,603 0.005,604 0.311,605 0.33,606 0.88,607 0.343,608 136.88,609 -0.061,610 -0.303,611 0.071,612 -0.1,613 -0.063,614 -0.015,615 -0.012,616 0.133,617 -0.002,618 0.043,619 0.033,620 0.018,621 -0.099,622 -0.153,623 0.001,624 0.002,625 -0.066,626 0.011,627 -0.101,628 0.107,629 -0.042,630 0.052,631 -0.118,632 0.027,633 0.034,634 -0.016,635 -0.029,636 0.003,637 0.016,638 -0.017,639 -0.085,640 0.034,641 -0.11,642 -0.065,643 -0.026,644 -0.081,645 0.106,646 -0.141,647 -0.17,648 -0.226,649 0.052,650 -0.242,651 -0.056,652 -0.042,653 -0.061,654 -0.103,655 -0.044,656 -0.079,657 1.433,658 3.98,659 0.964,660 24.429,661 1.005,662 1.127,663 3.509,664 12.316,665 0.674,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.934,672 5.182,673 5.371,674 5.505,675 5.602,676 5.635,677 0.648,678 375.47,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.431,687 11.345,688 12.263,689 10.2,695 1,697 1,699 3,704 8,705 3,709 7,711 18,726 2,728 1,731 49,733 18,734 1,735 32,737 53,738 21,739 15,740 2,741 4,746 5,747 6,755 1,758 1,761 15,762 6,778 1,781 21,782 7,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,853 1,854 6,856 1,859 2,870 4.1,872 1,874 1,877 13,878 8.783,879 6.083,880 3.018,881 3.003,882 1.38,883 1.006,884 4.589,885 10.914,886 3.738,887 4.324,888 4.922,889 5.527,890 6.115,891 6.412,892 6.896,893 7.325,894 7.705,895 8.042,896 0.833,897 46,898 10.353,900 4.472,901 7.613,902 20.067,904 16.88,905 2.113,906 59.167,908 1,909 1,910 235.422,911 109.1,912 56.605,914 53.683,917 109.1,918 289.105,919 56.605,921 18.036,922 66.334,923 115.811,924 24.424,925 6.555,926 223.651,928 235.422,929 165.706,930 53.683,933 211.88,934 66.226,935 11,937 34.864,938 80.485,939 50.357,941 235.422,942 110.288,943 109.1,946 235.422,947 33.719,948 81.63,950 104.04,951 235.422,952 110.288,953 109.1,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.057,962 3,963 1,964 1.074,965 3.947,966 264.889,967 0.074,968 27,969 130.606,974 17.413,975 7.38,976 3.333,978 110.288,979 14.961,980 14.345,984 5.578,986 42.683,987 454.811,988 41,999 49.232,1000 55.232,1001 0.28,1002 0.636,1003 0.814,1004 0.905,1005 0.913,1006 0.913,1007 4.98,1008 1.367,1009 5.889,1010 4.475,1011 4.511,1012 5.011,1013 1.481,1014 6.725,1015 4.399,1016 6.163,1017 1.252,1018 7.452,1019 3.447,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.83,1025 7.459,1026 1.121,1027 9.121,1028 2.886,1029 6.111,1030 7.158,1031 1.104,1032 10.826,1033 5.893,1034 8.794,1035 1,1036 10.856,1037 2.56,1038 6.494,1039 7.677,1040 0.479,1041 12.643,1042 6.214,1043 10.165,1044 1,1045 12.635,1046 2.511,1047 8.025,1048 9.606,1049 0.854,1050 15.311,1051 7.706,1052 11.562,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.541,1058 0.346,1059 17.479,1060 8.447,1061 12.979,1062 0.636,1063 16.274,1064 2.136,1065 10.119,1066 12.218,1067 0.661,1068 19.984,1069 9.705,1070 3.289,1071 -0.316,1072 18.119,1073 1.774,1074 11.113,1075 13.377,1076 0.237,1077 22.302,1078 10.649,1079 2.852,1080 11.621,1081 19.977,1082 -0.804,1083 12.319,1084 14.932,1085 0.505,1086 24.756,1087 11.815,1088 2.744,1089 9.617,1090 21.845,1091 4.275,1092 13.406,1093 16.215,1094 0.158,1095 27.14,1096 12.855,1097 2.425,1098 8.913,1099 23.72,1100 3.675,1101 14.582,1102 17.71,1103 0.382,1104 29.58,1105 13.99,1106 2.106,1107 7.324,1108 25.602,1109 3.475,1110 15.713,1111 19.064,1112 0.104,1113 31.995,1114 15.077,1115 1.829,1116 5.971,1117 27.488,1118 3.089,1119 16.881,1120 20.529,1121 0.285,1122 34.435,1123 16.205,1124 1.64,1125 4.679,1126 29.38,1127 2.812,1128 18.035,1129 21.924,1130 0.068,1131 36.866,1132 17.315,1133 8602,1134 13810,1135 22.364,1136 33.029,1137 48.671,1138 48.843,1139 49.007,1140 48.587,1141 48.523,1142 61.808,1143 4.92,1144 140.097,1145 45.78,1146 5.596,1147 5.48,1148 6.706,1149 5.345,1150 5.289,1151 7.275,1152 1.72,1153 19.177,1154 5.143,1155 6.861,1156 1.521,1157 1.526,1158 1.531,1159 1.518,1160 1.516,1161 1.932,1162 0.154,1163 4.378,1164 1.431,1165 4.065,1166 4.107,1167 4.03,1168 3.951,1169 6.471,1170 3.963,1171 3.865,1172 3.9,1173 3.808,1174 3.763,1175 5.005,1176 3.77,1177 3.79,1178 3.839,1179 3.714,1180 3.64,1181 4.856,1182 3.651,1183 3.693,1184 3.741,1185 3.589,1186 3.516,1187 4.612,1188 3.527,1189 3.295,1190 3.363,1191 3.192,1192 3.086,1193 4.558,1194 3.102,1195 3.111,1196 3.206,1197 2.915,1198 2.941,1199 4.124,1200 2.91,1201 2.986,1202 3.029,1203 2.866,1204 2.805,1205 3.887,1206 2.823,1207 2.919,1208 2.967,1209 2.79,1210 2.746,1211 3.828,1212 2.747,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.596,1219 0.134,1220 3.48,1221 0.027,1222 6.904,1223 0.363,1224 4.241,1225 0.098,1226 3.289,1227 4.275,1228 0.86,1229 11.621,1230 3.143,1231 1.942,1232 1.918,1233 2.023,1234 2.063,1235 1.211,1236 2.047,1237 1.825,1238 1.784,1239 1.942,1240 1.968,1241 1.161,1242 1.964,1243 1.733,1244 1.683,1245 1.916,1246 1.941,1247 1.047,1248 1.937,1249 1.59,1250 1.547,1251 1.771,1252 1.754,1253 0.942,1254 1.755,1255 1.399,1256 1.326,1257 1.581,1258 1.622,1259 0.825,1260 1.628,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.716,1266 1.429,1267 0.922,1268 0.868,1269 1.149,1270 1.178,1271 0.282,1272 1.162,1273 0.883,1274 0.84,1275 1.138,1276 1.147,1277 0.226,1278 1.132,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.98,1295 4.515,1297 5.484,1300 4.304,1305 31.751,1306 77.034,1307 174.94,1308 223.96,1309 249.121,1310 251.121,1311 251.121,1312 35.498,1313 7.911,1314 74.61,1315 74.61,1316 29,1317 12.774,1318 4.248,1319 3.322,1320 37.222,1321 95,1322 93,1323 0.196,1324 190.86,1325 326.18,1326 457.458,1327 27438,1329 18.924,1330 0.676,1331 0.552,1332 18.924,1333 15.453,1334 13.793,1335 0.431,1336 0.297,1337 9.356,1338 13.203,1339 9.219,1340 7.535,1341 13.793,1342 9.51,1343 12.292,1344 0.273,1345 0.154,1346 12.292,1347 6.914,1348 10.787,1349 0.171,1350 0.082,1351 10.787,1352 5.154,1353 9.532,1354 0.108,1355 0.043,1356 9.532,1357 3.777,1358 8.051,1359 0.068,1360 0.022,1361 8.051,1362 2.583,1363 0.295,1364 86.717,1365 0.211,1366 26.048,1367 0.58,1368 154,1369 432.111,1370 170.25,1371 415.875,1372 584.27,1373 394,1374 185,1375 443.103,1376 202.419,1377 445.459,1378 661.83,1379 422,1380 4.301}
{0 CHEMBL2314578,1 1.52,2 8.821,3 4.472,4 19.994,5 109.635,6 7.49,7 0.563,8 4.036,9 4.149,10 3.625,11 3.577,12 5.1,13 3.568,14 4.586,15 4.753,16 3.991,17 3.981,18 5.611,19 3.952,20 4.826,21 5.036,22 4.034,23 4.107,24 5.777,25 4.046,26 4.817,27 5.041,28 4.015,29 4.095,30 5.781,31 4.033,32 4.824,33 5.037,34 4.057,35 4.131,36 5.824,37 4.067,38 4.846,39 5.054,40 4.054,41 4.166,42 5.768,43 4.099,44 4.911,45 5.115,46 4.013,47 4.198,48 5.867,49 4.1,50 4.988,51 5.237,52 3.815,53 4.163,54 5.827,55 4.017,56 0.02,57 0.751,58 10.182,59 4.452,60 7.923,61 5.739,62 0.256,63 1.265,64 19.786,65 7.42,66 21.726,67 9.746,68 0.305,69 1.529,70 26.949,71 9.367,72 29.845,73 13.014,74 0.298,75 1.571,76 26.659,77 8.826,78 32.987,79 12.633,80 0.363,81 1.565,82 26.527,83 9.173,84 40.074,85 13.097,86 0.214,87 1.598,88 26.698,89 9.519,90 21.985,91 13.333,92 0.402,93 1.62,94 28.849,95 10.998,96 35.484,97 15.162,98 0.243,99 1.614,100 33.368,101 12.988,102 36.648,103 18.065,104 2,105 45,106 0.254,107 0.58,108 0.717,109 0.817,110 0.837,111 0.837,112 3.376,113 0.905,114 -4.91,115 -4.81,116 -4.51,119 44,121 1,125 5,142 9,143 2,144 2,146 1,147 1,150 1,172 9,174 4,175 7,180 2,183 9,186 1,187 6,192 2,195 7,198 2,199 8,204 1,207 7,211 2,212 10,215 1,217 1,220 6,224 8,229 1,232 5,236 1,237 9,240 3,245 6,250 5,258 7,263 3,268 2,271 6,275 1138,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 23.846,283 11.727,284 20.082,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.667,291 34.918,292 5.627,293 16.729,294 4.124,295 2.177,296 1.361,297 0.76,298 0.64,299 0.64,300 4.092,304 1,305 1,306 551,307 2.121,310 55.839,311 296.886,314 101.464,318 1.204,319 21.32,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 247,332 4.596,333 3.48,334 6.904,335 4.243,336 3.289,337 4.275,338 0.86,339 11.621,340 3.147,341 4.143,342 3.089,343 6.334,344 3.805,345 2.852,346 3.675,347 0.8,348 9.617,349 2.726,350 3.973,351 2.927,352 6.101,353 3.67,354 2.744,355 3.475,356 0.8,357 8.913,358 2.525,359 3.775,360 2.62,361 5.609,362 3.397,363 2.425,364 3.089,366 7.324,367 2.353,368 3.478,369 2.297,370 5.068,371 3.067,372 2.106,373 2.812,375 5.971,376 2.017,377 3.037,378 2.239,379 4.64,380 2.732,381 1.829,382 2.217,384 4.679,385 1.648,386 2.966,387 1.801,388 4.503,389 2.617,390 1.64,391 2.025,393 4.475,394 1.596,395 2.808,396 1.64,397 4.115,398 2.328,399 1.367,400 1.943,402 3.447,403 1.311,404 2.602,405 1.415,406 3.722,407 2.181,408 1.252,409 1.648,411 2.886,412 1.163,413 2.5,414 1.256,415 3.491,416 2.091,417 1.121,418 1.5,420 2.56,421 1.08,422 2.336,423 1.201,424 3.481,425 2,426 1,427 1.324,428 2.511,429 1,430 2.212,431 1.133,432 3.419,433 1.952,434 1,435 1.168,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.927,442 1,443 1,445 2.136,446 0.921,447 1.848,448 0.8,449 3.247,450 1.588,451 0.636,452 0.754,454 1.774,455 0.604,456 1.016,457 -0.057,458 2.778,459 0.636,460 -0.316,461 -0.387,463 -0.804,464 -0.299,465 13.267,466 0.474,467 0.551,468 0.02,469 38.75,470 1.384,471 19.5,472 0.696,473 19.25,474 0.688,475 21.92,476 0.783,477 29.333,478 0.587,479 28.061,480 1.002,481 7.576,482 0.271,483 6.217,484 0.222,485 0.025,487 0.324,493 0.925,494 1.382,495 0.767,496 1.084,497 0.899,498 0.934,499 1.1,500 1.012,501 0.927,502 0.931,503 0.711,504 0.908,505 1.091,506 1.16,507 0.967,508 0.951,509 0.942,510 0.94,511 0.943,512 1.037,513 0.985,514 0.9,515 0.956,516 0.918,517 0.79,518 1.081,519 0.952,520 0.936,521 0.781,522 0.947,523 0.944,524 1.1,525 1.029,526 1.013,527 0.73,528 1.009,529 0.795,530 1.076,531 1.13,532 1.166,533 0.911,534 1.189,535 0.808,536 0.971,537 1.058,538 1.157,539 0.872,540 1.148,541 4,542 0.062,543 2.889,544 1.472,545 1.214,546 1.15,547 0.736,548 0.348,549 0.158,550 0.126,551 9305,552 22548,553 2.223,554 44,556 19,559 1,561 2,564 1.72,565 2.154,566 3.133,567 -0.358,569 1,573 75.978,574 1.52,575 3.467,576 4.283,577 4.884,578 5.004,579 5.004,580 2.445,581 4.379,582 4.777,583 3.286,584 1241.93,585 8.362,586 15880.2,588 1,590 1,591 282.193,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.027,599 0.024,600 0.016,601 0.008,602 0.005,603 0.005,604 0.311,605 0.33,606 0.88,607 0.343,608 136.88,609 -0.046,610 -0.243,611 0.07,612 -0.069,613 -0.069,614 -0.001,615 -0.014,616 0.105,617 -0.009,618 0.029,619 0.031,620 0.007,621 -0.08,622 -0.114,623 -0.007,624 0.007,625 -0.058,626 0.006,627 -0.083,628 0.065,629 -0.032,630 0.027,631 -0.101,632 0.013,633 0.064,634 0.006,635 -0.011,636 0.011,637 0.037,638 -0.006,639 -0.127,640 -0.015,641 -0.1,642 -0.057,643 -0.039,644 -0.063,645 0.095,646 -0.052,647 -0.195,648 -0.181,649 0.037,650 -0.222,651 -0.019,652 -0.063,653 -0.082,654 -0.14,655 -0.023,656 -0.119,657 1.421,658 3.99,659 0.964,660 24.429,661 1,662 1.123,663 3.675,664 13.508,665 0.676,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.934,672 5.182,673 5.371,674 5.505,675 5.602,676 5.635,677 0.645,678 374.48,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.431,687 11.345,688 12.263,689 8,695 1,697 1,699 2,704 9,705 2,709 7,711 18,726 2,728 1,731 50,733 18,734 2,735 32,737 54,738 22,739 16,740 3,741 9,746 5,747 6,755 1,758 1,761 16,762 6,778 1,781 22,782 6,783 1,784 6,790 4,794 0.8,795 2,806 1,811 1,812 4,815 1,839 1,840 4,848 28,853 1,854 6,856 1,859 2,870 4,872 1,874 1,877 13,878 8.917,879 6.083,880 3.096,881 3.003,882 1.38,883 1.009,884 4.629,885 10.914,886 3.738,887 4.324,888 4.922,889 5.527,890 6.115,891 6.412,892 6.896,893 7.325,894 7.705,895 8.042,896 0.833,897 46,898 10.362,900 4.474,901 7.577,902 20.197,904 17.072,905 2.077,906 58.167,908 1,909 1,910 247.193,911 119.434,912 39.82,914 53.683,917 119.434,918 300.876,919 39.82,921 18.036,922 85.286,923 87.254,924 18.133,925 4.227,926 247.193,928 247.193,929 159.254,930 53.683,933 223.651,934 66.226,935 11,937 25.817,938 99.866,939 33.571,941 247.193,942 93.503,943 119.434,946 247.193,947 34.148,948 91.535,950 87.254,951 247.193,952 93.503,953 119.434,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.056,962 3,963 1,964 1.074,965 3.947,966 264.889,967 0.074,968 27,969 126.606,974 17.473,975 7.418,976 3.354,978 93.503,979 17.66,980 9.895,984 6.019,986 42.683,987 460.13,988 41,999 50.014,1000 56.149,1001 0.269,1002 0.614,1003 0.759,1004 0.865,1005 0.887,1006 0.887,1007 4.98,1008 1.367,1009 5.889,1010 4.475,1011 4.511,1012 5.011,1013 1.481,1014 6.725,1015 4.411,1016 6.163,1017 1.252,1018 7.452,1019 3.447,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.841,1025 7.459,1026 1.121,1027 9.121,1028 2.886,1029 6.111,1030 7.158,1031 1.104,1032 10.826,1033 5.914,1034 8.794,1035 1,1036 10.856,1037 2.56,1038 6.494,1039 7.677,1040 0.479,1041 12.643,1042 6.233,1043 10.165,1044 1,1045 12.635,1046 2.511,1047 8.025,1048 9.606,1049 0.854,1050 15.311,1051 7.733,1052 11.562,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.541,1058 0.346,1059 17.479,1060 8.471,1061 12.979,1062 0.636,1063 16.274,1064 2.136,1065 10.119,1066 12.218,1067 0.661,1068 19.984,1069 9.735,1070 3.289,1071 -0.316,1072 18.119,1073 1.774,1074 11.113,1075 13.377,1076 0.237,1077 22.302,1078 10.676,1079 2.852,1080 11.621,1081 19.977,1082 -0.804,1083 12.319,1084 14.932,1085 0.505,1086 24.756,1087 11.846,1088 2.744,1089 9.617,1090 21.845,1091 4.275,1092 13.406,1093 16.215,1094 0.158,1095 27.14,1096 12.885,1097 2.425,1098 8.913,1099 23.72,1100 3.675,1101 14.582,1102 17.71,1103 0.382,1104 29.58,1105 14.022,1106 2.106,1107 7.324,1108 25.602,1109 3.475,1110 15.713,1111 19.064,1112 0.104,1113 31.995,1114 15.108,1115 1.829,1116 5.971,1117 27.488,1118 3.089,1119 16.881,1120 20.529,1121 0.285,1122 34.435,1123 16.236,1124 1.64,1125 4.679,1126 29.38,1127 2.812,1128 18.035,1129 21.924,1130 0.068,1131 36.866,1132 17.346,1133 8602,1134 13508,1135 22.364,1136 33.784,1137 48.671,1138 48.843,1139 49.007,1140 48.598,1141 48.523,1142 61.808,1143 4.92,1144 140.097,1145 46.071,1146 5.596,1147 5.48,1148 6.706,1149 5.347,1150 5.289,1151 7.275,1152 1.72,1153 19.177,1154 5.147,1155 6.861,1156 1.521,1157 1.526,1158 1.531,1159 1.519,1160 1.516,1161 1.932,1162 0.154,1163 4.378,1164 1.44,1165 4.07,1166 4.11,1167 4.033,1168 3.962,1169 6.471,1170 3.972,1171 3.882,1172 3.912,1173 3.82,1174 3.815,1175 4.988,1176 3.812,1177 3.796,1178 3.841,1179 3.72,1180 3.66,1181 4.741,1182 3.668,1183 3.699,1184 3.745,1185 3.592,1186 3.517,1187 4.612,1188 3.528,1189 3.295,1190 3.363,1191 3.192,1192 3.086,1193 4.557,1194 3.102,1195 3.111,1196 3.206,1197 2.915,1198 2.941,1199 4.124,1200 2.91,1201 2.986,1202 3.03,1203 2.866,1204 2.808,1205 3.886,1206 2.825,1207 2.92,1208 2.967,1209 2.791,1210 2.746,1211 3.674,1212 2.748,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.596,1219 0.134,1220 3.48,1221 0.027,1222 6.904,1223 0.363,1224 4.243,1225 0.098,1226 3.289,1227 4.275,1228 0.86,1229 11.621,1230 3.147,1231 1.944,1232 1.92,1233 2.027,1234 2.064,1235 1.211,1236 2.049,1237 1.887,1238 1.856,1239 2.009,1240 1.982,1241 1.163,1242 1.993,1243 1.734,1244 1.684,1245 1.917,1246 1.941,1247 1.104,1248 1.939,1249 1.591,1250 1.547,1251 1.772,1252 1.755,1253 0.998,1254 1.755,1255 1.399,1256 1.327,1257 1.581,1258 1.623,1259 0.825,1260 1.629,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.722,1266 1.429,1267 0.925,1268 0.871,1269 1.181,1270 1.179,1271 0.283,1272 1.164,1273 0.886,1274 0.84,1275 1.146,1276 1.147,1277 0.226,1278 1.132,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.99,1295 4.673,1297 5.494,1300 4.435,1305 32.256,1306 75.978,1307 173.36,1308 214.154,1309 244.193,1310 250.193,1311 250.193,1312 35.182,1313 7.911,1314 61.72,1315 61.72,1316 29,1317 12.774,1318 4.248,1319 3.322,1320 37.222,1321 95,1322 93,1323 0.196,1324 193.658,1325 332.48,1326 464.286,1327 27438,1329 18.924,1330 0.676,1331 0.557,1332 18.924,1333 15.583,1334 13.793,1335 0.431,1336 0.302,1337 9.512,1338 13.27,1339 9.359,1340 7.658,1341 13.793,1342 9.65,1343 12.292,1344 0.273,1345 0.157,1346 12.292,1347 7.061,1348 10.787,1349 0.171,1350 0.084,1351 10.787,1352 5.296,1353 9.532,1354 0.108,1355 0.044,1356 9.532,1357 3.9,1358 8.051,1359 0.068,1360 0.023,1361 8.051,1362 2.679,1363 0.295,1364 86.263,1365 0.211,1366 26.048,1367 0.58,1368 154,1369 412.466,1370 168.474,1371 398.777,1372 561.91,1373 378,1374 185,1375 426.638,1376 200.587,1377 430.299,1378 639.49,1379 408,1380 5.914}
{0 CHEMBL2314579,1 1.551,2 8.897,3 3.604,4 12.985,5 112.07,6 7.49,7 0.545,8 4.075,9 4.192,10 3.662,11 3.595,12 5.146,13 3.59,14 4.629,15 4.806,16 4.036,17 3.995,18 5.659,19 3.974,20 4.85,21 5.057,22 4.077,23 4.133,24 5.824,25 4.081,26 4.864,27 5.086,28 4.062,29 4.145,30 5.829,31 4.079,32 4.888,33 5.106,34 4.103,35 4.175,36 5.874,37 4.11,38 4.903,39 5.114,40 4.121,41 4.208,42 5.84,43 4.146,44 4.984,45 5.197,46 4.065,47 4.246,48 5.935,49 4.148,50 5.041,51 5.294,52 3.899,53 4.204,54 5.889,55 4.062,56 0.029,57 0.806,58 10.65,59 4.521,60 8.331,61 5.935,62 0.289,63 1.329,64 21.015,65 7.467,66 23.582,67 10.076,68 0.362,69 1.586,70 27.478,71 9.068,72 32.502,73 12.809,74 0.332,75 1.638,76 27.816,77 9.366,78 34.044,79 13.513,80 0.405,81 1.66,82 28.508,83 9.565,84 41.343,85 13.934,86 0.273,87 1.7,88 28.39,89 9.833,90 24.853,91 14.018,92 0.463,93 1.739,94 31.415,95 11.443,96 39.27,97 16.094,98 0.314,99 1.692,100 35.349,101 13.525,102 39.81,103 19.031,104 5,105 47,106 0.258,107 0.61,108 0.788,109 0.855,110 0.855,111 0.855,112 3.409,113 0.902,114 -4.15,115 -4.09,116 -3.87,119 42.3,120 1,121 1,125 5,142 6,143 2,144 2,145 1,146 2,147 1,150 1,172 5,174 4,175 10,180 2,183 7,186 1,187 4,192 2,195 5,198 3,199 8,204 1,207 8,211 2,212 8,215 1,217 1,220 2,223 1,224 10,229 1,232 5,236 1,237 5,240 3,245 4,249 2,250 6,258 3,263 5,268 2,271 4,275 1286,276 20.016,277 20.016,278 20.016,279 20.016,280 20.016,281 17.876,282 26.271,283 11.85,284 20.605,285 16.351,286 16.351,287 16.351,288 16.351,289 16.351,290 13.078,291 38.306,292 5.684,293 17.319,294 4.149,295 2.025,296 0.957,297 0.553,298 0.553,299 0.553,300 4.122,304 1,305 1,306 572,307 2.236,310 58.181,311 310.347,314 105.967,318 1.225,319 23.52,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 258,332 4.597,333 3.482,334 6.905,335 4.245,336 3.291,337 4.276,338 0.86,339 11.626,340 3.148,341 4.179,342 3.095,343 6.341,344 3.827,345 2.872,346 3.74,347 0.8,348 9.654,349 2.748,350 4,351 2.939,352 6.101,353 3.671,354 2.744,355 3.568,356 0.8,357 8.913,358 2.534,359 3.831,360 2.677,361 5.645,362 3.473,363 2.506,364 3.115,366 7.489,367 2.415,368 3.571,369 2.467,370 5.145,371 3.188,372 2.239,373 2.895,375 6.244,376 2.118,377 3.262,378 2.297,379 4.919,380 2.877,381 1.919,382 2.516,384 5.536,385 1.835,386 2.978,387 2.106,388 4.582,389 2.724,390 1.818,391 2.037,393 4.676,394 1.64,395 2.869,396 1.665,397 4.471,398 2.421,399 1.457,400 2.013,402 4.214,403 1.401,404 2.684,405 1.572,406 3.994,407 2.207,408 1.273,409 1.766,411 3.083,412 1.194,413 2.598,414 1.302,415 3.722,416 2.18,417 1.22,418 1.644,420 2.825,421 1.162,422 2.338,423 1.256,424 3.481,425 2.068,426 1.113,427 1.325,428 2.554,429 1.056,430 2.215,431 1.2,432 3.472,433 1.952,434 1,435 1.172,436 2.477,437 0.946,438 2,439 1.108,440 3.427,441 1.924,442 1,443 1,445 2.136,446 0.917,447 1.848,448 0.803,449 3.247,450 1.587,451 0.639,452 0.756,454 1.801,455 0.604,456 1.02,457 -0.057,458 2.783,459 0.639,460 -0.311,461 -0.383,463 -0.786,464 -0.294,465 13.667,466 0.471,467 0.657,468 0.023,469 39.75,470 1.371,471 19.5,472 0.672,473 20.25,474 0.698,475 23.988,476 0.827,477 30.733,478 0.591,479 29.225,480 1.008,481 7.706,482 0.266,483 6.481,484 0.223,485 0.061,487 0.351,493 0.924,494 1.463,495 0.766,496 1.135,497 0.899,498 0.962,499 1.096,500 1.028,501 0.873,502 0.894,503 0.689,504 0.856,505 1.166,506 1.136,507 1.014,508 0.94,509 1.017,510 0.945,511 0.856,512 1.039,513 0.979,514 0.96,515 0.911,516 0.967,517 0.791,518 1.081,519 0.951,520 0.948,521 0.765,522 0.955,523 0.916,524 1.105,525 1.011,526 1.027,527 0.716,528 1.014,529 0.822,530 1.064,531 1.135,532 1.158,533 0.928,534 1.185,535 0.72,536 0.959,537 0.998,538 1.163,539 0.809,540 1.137,541 5,542 0.111,543 3.111,544 1.66,545 1.405,546 1.236,547 0.792,548 0.371,549 0.277,550 0.186,551 10112,552 25165,553 2.193,554 44.2,556 16,558 1,559 1,560 3,561 2,564 1.729,565 2.096,566 3.164,567 -0.336,569 1,573 80.664,574 1.551,575 3.676,576 4.743,577 5.147,578 5.147,579 5.147,580 2.453,581 4.392,582 4.828,583 3.325,584 1350.14,585 8.464,586 17715.1,588 1,590 1,591 296.423,592 1.247,593 4.809,594 0.152,595 0.007,596 0.066,597 0.035,598 0.03,599 0.025,600 0.016,601 0.008,602 0.007,603 0.007,604 0.353,605 0.5,606 0.88,607 0.434,608 143.575,609 -0.051,610 -0.292,611 0.072,612 -0.095,613 -0.07,614 -0.013,615 -0.02,616 0.093,617 0.055,618 0.076,619 0.067,620 0.07,621 -0.138,622 -0.066,623 -0.061,624 0.02,625 -0.11,626 -0.005,627 -0.045,628 0.047,629 -0.039,630 -0.005,631 -0.092,632 -0.017,633 0.045,634 -0.004,635 -0.01,636 0.013,637 0.025,638 -0.001,639 -0.101,640 -0.017,641 -0.085,642 -0.059,643 -0.018,644 -0.061,645 0.059,646 -0.036,647 -0.197,648 -0.166,649 0.006,650 -0.21,651 0.054,652 -0.055,653 -0.025,654 -0.136,655 0.022,656 -0.099,657 1.428,658 4.014,659 0.931,660 25.712,661 1.002,662 1.128,663 2.916,664 8.504,665 0.669,666 3.526,667 3.871,668 4.19,669 4.522,670 4.812,671 4.977,672 5.215,673 5.416,674 5.557,675 5.67,676 5.787,677 0.64,678 389.5,679 3.526,680 5.081,681 5.953,682 6.851,683 7.745,684 8.653,685 9.558,686 10.474,687 11.386,688 12.305,689 9.6,695 1,697 1,699 3,704 7,705 3,709 8,711 18,726 2,728 1,731 52,733 18,734 1,735 33,737 56,738 22,739 15,740 2,741 4,746 5,747 6,752 1,755 1,758 1,761 15,762 7,778 1,781 23,782 7,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 29,853 1,854 6,856 1,859 2,870 3.8,872 1,874 1,877 13.833,878 9.7,879 6.25,880 3.212,881 3.042,882 1.38,883 1,884 4.82,885 11.045,886 3.761,887 4.363,888 4.954,889 5.562,890 6.147,891 6.458,892 6.922,893 7.361,894 7.748,895 8.103,896 0.833,897 48,898 10.726,900 4.617,901 7.598,902 20.842,904 17.523,905 2.098,906 60.833,908 1,909 1,910 258.964,911 111.635,912 56.605,914 53.683,917 111.635,918 312.647,919 56.605,920 8.825,921 18.036,922 56.857,923 115.811,924 29.937,925 4.227,926 247.193,928 258.964,929 168.24,930 53.683,933 235.422,934 66.226,935 11,937 46.446,938 71.438,939 50.357,941 258.964,942 110.288,943 111.635,946 258.964,947 36.905,948 80.979,950 104.04,951 258.964,952 110.288,953 111.635,955 0.582,956 0.341,957 0.195,958 0.112,959 25,960 10,961 0.054,962 3,963 1,964 1.074,965 3.992,966 278.229,967 0.074,968 27,969 136.881,974 18.347,975 7.619,976 3.543,978 110.288,979 13.233,980 14.233,984 6.862,986 42.683,987 480.888,988 42,999 52.116,1000 58.647,1001 0.272,1002 0.645,1003 0.832,1004 0.903,1005 0.903,1006 0.903,1007 5.014,1008 1.457,1009 5.938,1010 4.676,1011 4.554,1012 5.05,1013 1.481,1014 6.777,1015 4.447,1016 6.208,1017 1.273,1018 7.505,1019 4.214,1020 4.111,1021 4.796,1022 0.57,1023 7.711,1024 3.951,1025 7.513,1026 1.22,1027 9.175,1028 3.083,1029 6.163,1030 7.212,1031 1.104,1032 10.865,1033 5.958,1034 8.853,1035 1.113,1036 10.907,1037 2.825,1038 6.567,1039 7.774,1040 0.479,1041 12.668,1042 6.311,1043 10.227,1044 1,1045 12.681,1046 2.554,1047 8.074,1048 9.667,1049 0.854,1050 15.334,1051 7.776,1052 11.625,1053 1,1054 14.484,1055 2.477,1056 8.876,1057 10.625,1058 0.346,1059 17.494,1060 8.53,1061 13.042,1062 0.639,1063 16.309,1064 2.136,1065 10.162,1066 12.282,1067 0.661,1068 20,1069 9.774,1070 3.291,1071 -0.311,1072 18.15,1073 1.801,1074 11.155,1075 13.452,1076 0.237,1077 22.314,1078 10.722,1079 2.872,1080 11.626,1081 20.003,1082 -0.786,1083 12.356,1084 14.994,1085 0.505,1086 24.768,1087 11.881,1088 2.744,1089 9.654,1090 21.867,1091 4.276,1092 13.44,1093 16.282,1094 0.158,1095 27.15,1096 12.922,1097 2.506,1098 8.913,1099 23.739,1100 3.74,1101 14.613,1102 17.768,1103 0.382,1104 29.591,1105 14.053,1106 2.239,1107 7.489,1108 25.618,1109 3.568,1110 15.742,1111 19.122,1112 0.104,1113 32.005,1114 15.139,1115 1.919,1116 6.244,1117 27.503,1118 3.115,1119 16.909,1120 20.582,1121 0.285,1122 34.445,1123 16.264,1124 1.818,1125 5.536,1126 29.393,1127 2.895,1128 18.061,1129 21.975,1130 0.068,1131 36.876,1132 17.373,1133 9405,1134 14959,1135 22.77,1136 34.79,1137 50.307,1138 50.554,1139 51.143,1140 50.215,1141 50.182,1142 63.643,1143 4.92,1144 146.456,1145 47.437,1146 5.597,1147 5.482,1148 6.707,1149 5.348,1150 5.291,1151 7.276,1152 1.72,1153 19.191,1154 5.148,1155 9.987,1156 1.524,1157 1.532,1158 1.55,1159 1.522,1160 1.521,1161 1.929,1162 0.149,1163 4.438,1164 1.437,1165 4.07,1166 4.111,1167 4.034,1168 3.957,1169 6.471,1170 3.969,1171 3.881,1172 3.916,1173 3.827,1174 3.787,1175 4.997,1176 3.793,1177 3.795,1178 3.842,1179 3.723,1180 3.646,1181 4.857,1182 3.658,1183 3.7,1184 3.75,1185 3.595,1186 3.515,1187 4.612,1188 3.527,1189 3.301,1190 3.37,1191 3.199,1192 3.093,1193 4.56,1194 3.106,1195 3.156,1196 3.241,1197 2.968,1198 3.003,1199 4.163,1200 2.983,1201 3.111,1202 3.206,1203 2.893,1204 2.941,1205 3.891,1206 2.91,1207 2.975,1208 3.014,1209 2.866,1210 2.786,1211 3.87,1212 2.806,1213 0.139,1214 0.106,1215 0.209,1216 0.129,1217 0.1,1218 4.597,1219 0.13,1220 3.482,1221 0.026,1222 6.905,1223 0.352,1224 4.245,1225 0.095,1226 3.291,1227 4.276,1228 0.86,1229 11.626,1230 3.148,1231 1.943,1232 1.919,1233 2.024,1234 2.065,1235 1.211,1236 2.048,1237 1.856,1238 1.817,1239 1.97,1240 1.988,1241 1.162,1242 1.986,1243 1.733,1244 1.683,1245 1.917,1246 1.942,1247 1.082,1248 1.938,1249 1.59,1250 1.547,1251 1.772,1252 1.755,1253 0.986,1254 1.755,1255 1.402,1256 1.326,1257 1.611,1258 1.637,1259 0.825,1260 1.642,1261 1.181,1262 1.103,1263 1.513,1264 1.393,1265 0.739,1266 1.437,1267 1.153,1268 1.064,1269 1.489,1270 1.376,1271 0.561,1272 1.429,1273 0.883,1274 0.845,1275 1.143,1276 1.16,1277 0.274,1278 1.143,1279 4.205,1281 5.541,1282 2.398,1283 7.081,1284 4.727,1285 8.713,1286 6.862,1287 10.394,1289 1.998,1294 10.014,1295 4.584,1297 5.5,1300 4.409,1305 33.278,1306 80.664,1307 191.148,1308 246.648,1309 267.668,1310 267.668,1311 267.668,1312 37.788,1313 8.002,1314 74.61,1315 74.61,1316 29,1317 12.816,1318 4.248,1319 3.322,1320 39.156,1321 100,1322 94,1323 0.194,1324 200.452,1325 343.48,1326 480.864,1327 30683,1329 19.794,1330 0.683,1331 0.565,1332 19.794,1333 16.376,1334 14.187,1335 0.43,1336 0.301,1337 9.766,1338 13.588,1339 9.557,1340 7.836,1341 14.187,1342 9.921,1343 12.926,1344 0.275,1345 0.157,1346 12.926,1347 7.381,1348 11.114,1349 0.171,1350 0.083,1351 11.114,1352 5.42,1353 9.84,1354 0.108,1355 0.044,1356 9.84,1357 3.99,1358 8.253,1359 0.068,1360 0.022,1361 8.253,1362 2.724,1363 0.292,1364 89.08,1365 0.21,1366 26.821,1367 0.571,1368 160,1369 440.111,1370 176.195,1371 424.601,1372 596.68,1373 402,1374 192,1375 453.103,1376 209.086,1377 456.904,1378 676.57,1379 432,1380 6.77}
{0 CHEMBL2314580,1 1.627,2 8.897,3 3.593,4 12.907,5 109.486,6 7.829,7 0.545,8 4.054,9 4.162,10 3.667,11 3.552,12 5.184,13 3.565,14 4.591,15 4.754,16 4.045,17 3.956,18 5.706,19 3.95,20 4.826,21 5.026,22 4.083,23 4.091,24 5.849,25 4.054,26 4.828,27 5.042,28 4.069,29 4.098,30 5.86,31 4.049,32 4.851,33 5.058,34 4.108,35 4.13,36 5.893,37 4.082,38 4.874,39 5.073,40 4.133,41 4.152,42 5.908,43 4.112,44 4.926,45 5.123,46 4.067,47 4.186,48 5.948,49 4.109,50 5,51 5.243,52 3.914,53 4.153,54 5.932,55 4.026,56 0.095,57 0.779,58 9.685,59 4.254,60 12.035,61 5.262,62 0.386,63 1.277,64 18.971,65 6.981,66 28.328,67 8.999,68 0.466,69 1.523,70 26.071,71 8.746,72 37.6,73 11.925,74 0.475,75 1.564,76 26.053,77 8.743,78 40.996,79 12.238,80 0.482,81 1.583,82 26.477,83 9.076,84 45.074,85 12.776,86 0.452,87 1.618,88 26.744,89 9.138,90 37.193,91 12.488,92 0.552,93 1.625,94 28.385,95 10.56,96 44.016,97 14.24,98 0.51,99 1.598,100 33.59,101 12.769,102 51.21,103 17.736,104 5,105 47,106 0.272,107 0.631,108 0.787,109 0.864,110 0.864,111 0.864,112 3.409,113 0.877,114 -3.99,115 -3.94,116 -3.74,119 42,121 1,125 5,142 6,143 2,144 2,145 1,146 1,147 2,150 1,172 5,174 4,175 9,178 1,180 3,183 6,186 1,187 4,192 2,195 5,198 3,199 7,202 1,204 2,207 7,211 2,212 8,215 1,217 1,220 2,223 1,224 9,227 1,229 3,232 3,236 1,237 5,240 3,245 4,249 2,250 4,253 2,255 1,258 2,263 5,268 4,271 2,275 1286,276 20.016,277 20.016,278 20.016,279 20.016,280 20.016,281 17.876,282 26.003,283 11.85,284 20.647,285 16.351,286 16.351,287 16.351,288 16.351,289 16.351,290 13.078,291 37.786,292 5.684,293 17.403,294 4.017,295 1.874,296 0.94,297 0.48,298 0.48,299 0.48,300 4.122,304 1,305 1,306 572,307 2.236,310 58.181,311 310.347,314 105.967,318 1.225,319 29.277,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 258,332 4.597,333 3.483,334 6.905,335 4.245,336 3.291,337 4.276,338 0.86,339 11.626,340 3.148,341 4.179,342 3.096,343 6.341,344 3.824,345 2.872,346 3.74,347 0.8,348 9.654,349 2.74,350 4,351 2.941,352 6.101,353 3.671,354 2.744,355 3.568,356 0.8,357 8.913,358 2.53,359 3.831,360 2.694,361 5.645,362 3.463,363 2.506,364 3.115,366 7.489,367 2.393,368 3.571,369 2.495,370 5.145,371 3.173,372 2.239,373 2.895,375 6.244,376 2.085,377 3.262,378 2.297,379 4.919,380 2.859,381 1.919,382 2.516,384 5.536,385 1.795,386 2.978,387 2.119,388 4.582,389 2.724,390 1.818,391 2.037,393 4.676,394 1.64,395 2.869,396 1.667,397 4.471,398 2.415,399 1.457,400 2.013,402 4.214,403 1.391,404 2.684,405 1.578,406 3.994,407 2.202,408 1.273,409 1.766,411 3.083,412 1.187,413 2.598,414 1.307,415 3.722,416 2.18,417 1.22,418 1.644,420 2.825,421 1.162,422 2.338,423 1.256,424 3.481,425 2.068,426 1.113,427 1.325,428 2.554,429 1.056,430 2.215,431 1.2,432 3.472,433 1.952,434 1,435 1.172,436 2.477,437 0.946,438 2,439 1.108,440 3.427,441 1.924,442 1,443 1,445 2.136,446 0.917,447 1.848,448 0.803,449 3.247,450 1.587,451 0.639,452 0.756,454 1.801,455 0.604,456 1.02,457 -0.057,458 2.783,459 0.636,460 -0.311,461 -0.383,463 -0.786,464 -0.292,465 13.5,466 0.466,467 0.657,468 0.023,469 40.5,470 1.397,471 20,472 0.69,473 20.5,474 0.707,475 22.778,476 0.785,477 30.9,478 0.618,479 30.436,480 1.05,481 7.897,482 0.272,483 6.29,484 0.217,485 0.049,487 0.356,493 0.968,494 1.448,495 0.748,496 1.101,497 0.94,498 0.922,499 0.959,500 1.027,501 0.868,502 0.919,503 0.586,504 0.88,505 1.048,506 1.15,507 0.976,508 0.951,509 0.868,510 0.943,511 0.8,512 1.004,513 0.967,514 0.937,515 0.819,516 0.958,517 0.749,518 1.111,519 0.928,520 0.976,521 0.733,522 0.971,523 0.939,524 1.076,525 1.013,526 1.007,527 0.815,528 1.001,529 0.834,530 1.084,531 1.136,532 1.182,533 0.902,534 1.21,535 0.627,536 0.931,537 0.988,538 1.185,539 0.68,540 1.17,541 5,542 0.111,543 3.111,544 1.66,545 1.405,546 1.236,547 0.792,548 0.371,549 0.277,550 0.186,551 10112,552 27929,553 2.193,554 42,556 16,558 1,559 2,561 2,564 1.729,565 2.096,566 3.164,567 0.262,569 1,573 81.351,574 1.627,575 3.77,576 4.703,577 5.164,578 5.164,579 5.164,580 2.453,581 4.392,582 4.828,583 3.325,584 1350.14,585 8.464,586 17715.1,588 1,590 1,591 282.193,592 1.247,593 4.809,594 0.152,595 0.007,596 0.066,597 0.035,598 0.03,599 0.025,600 0.016,601 0.008,602 0.007,603 0.007,604 0.353,605 0.5,606 0.88,607 0.434,608 143.575,609 -0.11,610 -0.279,611 0.048,612 -0.065,613 -0.111,614 0.003,615 -0.006,616 0.107,617 0.015,618 0.052,619 0.084,620 0.033,621 -0.13,622 -0.096,623 -0.041,624 0.017,625 -0.075,626 0.007,627 -0.028,628 0.083,629 -0.043,630 0.015,631 -0.071,632 -0.008,633 0.022,634 -0.039,635 -0.008,636 -0.006,637 -0.009,638 -0.01,639 -0.096,640 0.01,641 -0.096,642 -0.045,643 -0.025,644 -0.058,645 0.016,646 -0.055,647 -0.217,648 -0.183,649 -0.03,650 -0.235,651 0.124,652 -0.027,653 -0.008,654 -0.152,655 0.068,656 -0.115,657 1.688,658 3.986,659 0.931,660 25.712,661 1.011,662 1.129,663 2.761,664 7.624,665 0.67,666 3.526,667 3.871,668 4.19,669 4.522,670 4.812,671 4.977,672 5.215,673 5.416,674 5.557,675 5.67,676 5.787,677 0.649,678 391.47,679 3.526,680 5.081,681 5.953,682 6.851,683 7.745,684 8.653,685 9.558,686 10.474,687 11.386,688 12.305,689 10,695 1,697 1,699 3,704 7,705 3,709 8,711 18,726 2,728 2,731 50,733 18,734 1,735 33,737 54,738 21,739 15,740 2,741 4,746 5,747 6,755 1,758 1,761 15,762 6,778 1,781 21,782 8,783 2,784 8,790 5,794 0.8,795 3,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 29,853 2,854 6,856 1,859 2,870 6,872 2,874 1,877 13.833,878 8.9,879 6.25,880 3.013,881 3.042,882 1.38,883 0.98,884 4.797,885 11.045,886 3.761,887 4.363,888 4.954,889 5.562,890 6.147,891 6.458,892 6.922,893 7.361,894 7.748,895 8.103,896 0.833,897 48,898 10.722,900 4.669,901 7.736,902 20.543,904 17.291,905 2.236,906 64.833,908 1,909 1,910 223.651,911 100.053,912 56.605,914 96.367,917 100.053,918 320.018,919 56.605,921 18.036,922 56.857,923 158.494,924 27.181,925 4.227,926 211.88,928 223.651,929 156.658,930 96.367,933 200.109,934 108.909,935 11,937 34.864,938 71.438,939 50.357,941 223.651,942 152.972,943 100.053,946 223.651,947 34.148,948 72.154,950 146.723,951 223.651,952 152.972,953 100.053,955 0.582,956 0.341,957 0.195,958 0.112,959 25,960 10,961 0.056,962 3,963 1,964 1.074,965 3.992,966 278.229,967 0.074,968 27,969 136.881,974 18.311,975 7.597,976 3.53,978 152.972,979 12.238,980 13.658,984 5.212,986 85.367,987 476.676,988 42,999 50.56,1000 56.441,1001 0.288,1002 0.668,1003 0.833,1004 0.915,1005 0.915,1006 0.915,1007 5.014,1008 1.457,1009 5.938,1010 4.676,1011 4.554,1012 5.05,1013 1.481,1014 6.777,1015 4.438,1016 6.208,1017 1.273,1018 7.505,1019 4.214,1020 4.111,1021 4.796,1022 0.57,1023 7.711,1024 3.93,1025 7.513,1026 1.22,1027 9.175,1028 3.083,1029 6.163,1030 7.212,1031 1.104,1032 10.865,1033 5.944,1034 8.853,1035 1.113,1036 10.907,1037 2.825,1038 6.567,1039 7.774,1040 0.479,1041 12.668,1042 6.291,1043 10.227,1044 1,1045 12.681,1046 2.554,1047 8.074,1048 9.667,1049 0.854,1050 15.334,1051 7.76,1052 11.625,1053 1,1054 14.484,1055 2.477,1056 8.876,1057 10.625,1058 0.346,1059 17.494,1060 8.512,1061 13.042,1062 0.639,1063 16.309,1064 2.136,1065 10.162,1066 12.282,1067 0.661,1068 20,1069 9.759,1070 3.291,1071 -0.311,1072 18.15,1073 1.801,1074 11.155,1075 13.452,1076 0.237,1077 22.314,1078 10.707,1079 2.872,1080 11.626,1081 20.003,1082 -0.786,1083 12.356,1084 14.994,1085 0.505,1086 24.768,1087 11.868,1088 2.744,1089 9.654,1090 21.867,1091 4.276,1092 13.44,1093 16.282,1094 0.158,1095 27.15,1096 12.909,1097 2.506,1098 8.913,1099 23.739,1100 3.74,1101 14.613,1102 17.768,1103 0.382,1104 29.591,1105 14.041,1106 2.239,1107 7.489,1108 25.618,1109 3.568,1110 15.742,1111 19.122,1112 0.104,1113 32.005,1114 15.127,1115 1.919,1116 6.244,1117 27.503,1118 3.115,1119 16.909,1120 20.582,1121 0.285,1122 34.445,1123 16.253,1124 1.818,1125 5.536,1126 29.393,1127 2.895,1128 18.061,1129 21.975,1130 0.068,1131 36.876,1132 17.363,1133 9405,1134 15751,1135 22.77,1136 33.483,1137 50.307,1138 50.557,1139 51.143,1140 50.27,1141 50.182,1142 63.643,1143 4.92,1144 146.456,1145 47.189,1146 5.597,1147 5.483,1148 6.707,1149 5.348,1150 5.291,1151 7.276,1152 1.72,1153 19.191,1154 5.148,1155 9.987,1156 1.524,1157 1.532,1158 1.55,1159 1.523,1160 1.521,1161 1.929,1162 0.149,1163 4.438,1164 1.43,1165 4.068,1166 4.108,1167 4.033,1168 3.954,1169 6.477,1170 3.967,1171 3.87,1172 3.901,1173 3.82,1174 3.769,1175 6.47,1176 3.777,1177 3.791,1178 3.839,1179 3.72,1180 3.628,1181 4.986,1182 3.645,1183 3.691,1184 3.737,1185 3.592,1186 3.511,1187 4.742,1188 3.523,1189 3.292,1190 3.36,1191 3.192,1192 3.076,1193 4.612,1194 3.093,1195 3.111,1196 3.206,1197 2.917,1198 2.941,1199 4.558,1200 2.91,1201 2.984,1202 3.022,1203 2.866,1204 2.788,1205 4.147,1206 2.811,1207 2.939,1208 2.973,1209 2.821,1210 2.746,1211 3.888,1212 2.751,1213 0.139,1214 0.106,1215 0.209,1216 0.129,1217 0.1,1218 4.597,1219 0.13,1220 3.483,1221 0.026,1222 6.905,1223 0.352,1224 4.245,1225 0.095,1226 3.291,1227 4.276,1228 0.86,1229 11.626,1230 3.148,1231 1.942,1232 1.918,1233 2.023,1234 2.063,1235 1.211,1236 2.047,1237 1.822,1238 1.788,1239 1.924,1240 1.97,1241 1.161,1242 1.959,1243 1.731,1244 1.681,1245 1.91,1246 1.941,1247 1.059,1248 1.936,1249 1.59,1250 1.547,1251 1.768,1252 1.754,1253 0.944,1254 1.755,1255 1.374,1256 1.301,1257 1.555,1258 1.616,1259 0.825,1260 1.612,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.67,1266 1.429,1267 0.883,1268 0.846,1269 1.144,1270 1.179,1271 0.274,1272 1.148,1273 0.883,1274 0.84,1275 1.14,1276 1.148,1277 0.206,1278 1.132,1279 4.205,1281 5.541,1282 2.398,1283 7.081,1284 4.727,1285 8.713,1286 6.862,1287 10.394,1294 19.808,1295 4.245,1297 5.473,1300 4.2,1305 32.466,1306 81.351,1307 188.502,1308 235.173,1309 258.193,1310 258.193,1311 258.193,1312 40.996,1313 8.002,1314 94.84,1315 94.84,1316 29,1317 12.816,1318 4.248,1319 3.322,1320 39.156,1321 100,1322 94,1323 0.194,1324 194.856,1325 334.97,1326 467.209,1327 30683,1329 19.794,1330 0.683,1331 0.546,1332 19.794,1333 15.823,1334 14.187,1335 0.43,1336 0.292,1337 9.475,1338 13.522,1339 9.345,1340 7.625,1341 14.187,1342 9.645,1343 12.926,1344 0.275,1345 0.151,1346 12.926,1347 7.098,1348 11.114,1349 0.171,1350 0.081,1351 11.114,1352 5.269,1353 9.84,1354 0.108,1355 0.042,1356 9.84,1357 3.867,1358 8.253,1359 0.068,1360 0.022,1361 8.253,1362 2.634,1363 0.292,1364 89.658,1365 0.21,1366 26.821,1367 0.571,1368 160,1369 472.26,1370 178.409,1371 452.287,1372 627.96,1373 426,1374 192,1375 472.134,1376 210.747,1377 473.785,1378 702.13,1379 448,1380 6.699}
{0 CHEMBL2314581,1 1.531,2 10.313,3 4.658,4 21.695,5 123.557,6 7.737,7 0.622,8 4.141,9 4.251,10 3.76,11 3.699,12 5.225,13 3.694,14 4.688,15 4.849,16 4.14,17 4.112,18 5.736,19 4.091,20 4.93,21 5.13,22 4.196,23 4.25,24 5.914,25 4.198,26 4.933,27 5.149,28 4.151,29 4.238,30 5.913,31 4.176,32 4.937,33 5.149,34 4.173,35 4.252,36 5.926,37 4.185,38 4.945,39 5.149,40 4.198,41 4.282,42 5.872,43 4.223,44 5.029,45 5.226,46 4.202,47 4.343,48 6.011,49 4.26,50 5.117,51 5.359,52 4.042,53 4.325,54 5.981,55 4.197,56 0.029,57 0.838,58 10.519,59 4.786,60 8.543,61 5.997,62 0.278,63 1.422,64 20.725,65 8.012,66 22.82,67 10.227,68 0.341,69 1.734,70 28.613,71 10.323,72 32.671,73 13.867,74 0.332,75 1.786,76 28.799,77 10.032,78 36.764,79 13.856,80 0.41,81 1.765,82 28.911,83 10.481,84 42.23,85 14.56,86 0.242,87 1.787,88 28.496,89 10.469,90 22.155,91 14.287,92 0.467,93 1.88,94 31.094,95 11.977,96 39.664,97 16.139,98 0.286,99 1.904,100 37.129,101 14.579,102 41.693,103 20.074,104 2,105 53,106 0.249,107 0.595,108 0.767,109 0.868,110 0.868,111 0.868,112 3.503,113 0.885,114 -4.63,115 -4.55,116 -4.28,119 45.5,121 1,125 5,142 9,143 3,144 2,145 1,146 2,147 1,150 1,172 9,174 4,175 10,180 2,183 9,186 1,187 9,192 2,195 9,198 2,199 8,204 1,207 9,211 3,212 11,215 1,217 1,220 7,224 8,229 1,232 5,236 2,237 12,240 3,245 8,250 5,258 7,262 2,263 6,268 2,271 7,275 1762,276 22.378,277 22.378,278 22.378,279 22.378,280 22.378,281 19.747,282 23.846,283 13.223,284 22.954,285 18.339,286 18.339,287 18.339,288 18.339,289 18.339,290 14.312,291 34.918,292 6.335,293 19.299,294 4.25,295 2.114,296 1.055,297 0.436,298 0.436,299 0.436,300 4.23,304 1,305 1,306 748,307 2.345,310 62.173,311 398.802,314 113.948,315 127.66,318 1.563,319 24.831,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68.5,331 330,332 4.603,333 3.484,334 6.906,335 4.248,336 3.294,337 4.359,338 0.86,339 11.63,340 3.152,341 4.408,342 3.103,343 6.369,344 3.935,345 2.96,346 4.254,347 0.8,348 9.771,349 2.891,350 4.083,351 2.964,352 6.129,353 3.704,354 2.745,355 3.635,356 0.8,357 8.988,358 2.64,359 3.929,360 2.816,361 6.101,362 3.663,363 2.737,364 3.259,366 8.912,367 2.51,368 3.701,369 2.57,370 5.577,371 3.318,372 2.357,373 3.043,375 7.21,376 2.261,377 3.395,378 2.297,379 5.058,380 2.979,381 2.018,382 2.72,384 5.924,385 1.935,386 3.118,387 2.158,388 4.631,389 2.727,390 1.824,391 2.427,393 4.678,394 1.641,395 2.985,396 1.679,397 4.504,398 2.604,399 1.618,400 2.138,402 4.488,403 1.594,404 2.936,405 1.618,406 4.412,407 2.478,408 1.514,409 2.027,411 4.25,412 1.453,413 2.843,414 1.601,415 4.047,416 2.347,417 1.381,418 1.995,420 3.215,421 1.331,422 2.612,423 1.403,424 3.722,425 2.182,426 1.26,427 1.662,428 2.926,429 1.163,430 2.381,431 1.256,432 3.606,433 2.134,434 1.152,435 1.364,436 2.77,437 1.124,438 2.271,439 1.219,440 3.481,441 1.955,442 1.04,443 1.235,445 2.552,446 0.946,447 2.123,448 1.195,449 3.429,450 1.952,451 1,452 1,454 2.136,455 0.945,456 2,457 0.839,458 3.247,459 1.696,460 0.733,461 0.986,463 1.889,464 0.704,465 15.167,466 0.474,467 0.671,468 0.021,469 45.75,470 1.43,471 23.5,472 0.734,473 22.25,474 0.695,475 25.607,476 0.8,477 32.833,478 0.597,479 34.508,480 1.078,481 8.863,482 0.277,483 6.896,484 0.215,485 0.022,487 0.349,493 0.913,494 1.35,495 0.733,496 1.048,497 0.883,498 0.898,499 1.1,500 1.005,501 0.895,502 0.897,503 0.715,504 0.871,505 1.099,506 1.135,507 0.966,508 0.939,509 0.939,510 0.932,511 0.941,512 1.037,513 1.02,514 0.938,515 0.97,516 0.961,517 0.746,518 1.047,519 0.953,520 0.959,521 0.76,522 0.971,523 0.931,524 1.103,525 0.988,526 0.997,527 0.706,528 0.982,529 0.829,530 1.052,531 1.125,532 1.132,533 0.924,534 1.162,535 0.807,536 1.002,537 1.039,538 1.146,539 0.871,540 1.132,541 5,542 0.111,543 3.556,544 1.597,545 1.658,546 1.32,547 0.817,548 0.423,549 0.33,550 0.246,551 14116,552 34817,553 2.25,554 41.8,556 19,558 1,559 1,561 2,564 1.753,565 2.182,566 3.341,567 -0.372,573 84.227,574 1.531,575 3.667,576 4.726,577 5.345,578 5.345,579 5.345,580 2.743,581 4.688,582 4.97,583 3.503,584 1737.67,585 8.739,586 24337.2,588 1,591 317.975,592 1.11,593 4.962,594 0.135,595 0.004,596 0.067,597 0.029,598 0.032,599 0.025,600 0.015,601 0.008,602 0.007,603 0.007,604 0.329,605 0.33,606 0.88,607 0.313,608 164.421,609 -0.05,610 -0.236,611 0.071,612 -0.065,613 -0.067,614 0.003,615 -0.033,616 0.099,618 0.05,619 0.031,620 0.027,621 -0.099,622 -0.091,623 -0.019,624 0.018,625 -0.056,626 0.009,627 -0.099,628 0.046,629 -0.077,630 -0.003,631 -0.127,632 -0.026,633 0.088,634 0.01,635 -0.012,636 -0.006,637 0.028,638 -0.02,639 -0.113,640 -0.038,641 -0.062,642 -0.043,643 -0.023,644 -0.037,645 0.08,646 -0.022,647 -0.194,648 -0.161,649 0.024,650 -0.208,651 -0.014,652 -0.089,653 -0.05,654 -0.125,655 -0.023,656 -0.095,657 1.431,658 4.085,659 0.969,660 30.754,661 1.002,662 1.121,663 3.403,664 11.583,665 0.687,666 3.638,667 3.989,668 4.331,669 4.663,670 4.97,671 5.136,672 5.389,673 5.606,674 5.79,675 5.924,676 6.356,677 0.66,678 425.53,679 3.638,680 5.198,681 6.08,682 6.98,683 7.88,684 8.789,685 9.698,686 10.613,687 11.528,688 12.448,689 9.1,695 1,697 1,699 3,703 2,704 10,705 3,709 7,711 23,726 2,728 1,731 55,733 23,734 2,735 37,737 60,738 25,739 19,740 5,741 7,746 6,747 8,755 1,758 1,761 19,762 6,778 1,781 23,782 7,783 1,784 7,790 5,794 0.667,795 2,805 1,806 1,811 1,812 5,815 1,816 1,839 1,840 4,848 32,853 1,854 6,856 1,859 2,870 3.6,872 1,874 1,877 14.667,878 9.95,879 6.861,880 3.414,881 4.257,882 1.495,883 1.032,884 4.897,885 12.865,886 3.902,887 4.538,888 5.18,889 5.816,890 6.44,891 6.789,892 7.281,893 7.748,894 8.194,895 8.517,896 0.857,897 55,898 11.836,900 5.17,901 7.578,902 23.03,904 19.671,905 2.078,906 66.5,909 1,910 258.964,911 133.199,912 56.605,914 53.683,917 133.199,918 312.647,919 56.605,921 18.036,922 85.286,923 115.811,924 31.898,925 4.227,926 247.193,928 258.964,929 189.804,930 53.683,933 235.422,934 66.226,935 11,937 37.008,938 102.439,939 50.357,941 258.964,942 110.288,943 133.199,946 258.964,947 38.865,948 100.582,950 104.04,951 258.964,952 110.288,953 133.199,955 0.583,956 0.347,957 0.199,958 0.113,959 29,960 11,961 0.05,962 3,963 2,964 1.129,965 4.3,966 324.67,967 0.129,968 31,969 156,974 19.475,975 8.047,976 3.592,977 2.085,978 110.288,979 19.505,980 14.444,984 5.874,986 42.683,987 502.452,988 48.5,999 55.116,1000 61.647,1001 0.265,1002 0.634,1003 0.817,1004 0.925,1005 0.925,1006 0.925,1007 5.152,1008 1.618,1009 6.061,1010 4.678,1011 4.673,1012 5.226,1013 1.481,1014 6.907,1015 4.578,1016 6.355,1017 1.514,1018 7.632,1019 4.488,1020 4.205,1021 4.997,1022 0.57,1023 7.847,1024 4.06,1025 7.667,1026 1.381,1027 9.305,1028 4.25,1029 6.29,1030 7.455,1031 1.104,1032 11,1033 6.109,1034 9.017,1035 1.26,1036 11.041,1037 3.215,1038 6.686,1039 8.078,1040 0.479,1041 12.798,1042 6.458,1043 10.401,1044 1.152,1045 12.817,1046 2.926,1047 8.207,1048 9.988,1049 0.854,1050 15.455,1051 7.945,1052 11.81,1053 1.04,1054 14.622,1055 2.77,1056 9.006,1057 11.02,1058 0.346,1059 17.603,1060 8.698,1061 13.237,1062 1,1063 16.447,1064 2.552,1065 10.297,1066 12.69,1067 0.661,1068 20.097,1069 9.955,1070 3.294,1071 0.733,1072 18.286,1073 2.136,1074 11.287,1075 13.93,1076 0.237,1077 22.398,1078 10.901,1079 2.96,1080 11.63,1081 20.137,1082 1.889,1083 12.487,1084 15.487,1085 0.505,1086 24.841,1087 12.066,1088 2.745,1089 9.771,1090 21.997,1091 4.359,1092 13.567,1093 16.834,1094 0.158,1095 27.213,1096 13.103,1097 2.737,1098 8.988,1099 23.865,1100 4.254,1101 14.737,1102 18.338,1103 0.382,1104 29.645,1105 14.234,1106 2.357,1107 8.912,1108 25.738,1109 3.635,1110 15.86,1111 19.74,1112 0.104,1113 32.051,1114 15.315,1115 2.018,1116 7.21,1117 27.618,1118 3.259,1119 17.022,1120 21.219,1121 0.285,1122 34.485,1123 16.437,1124 1.824,1125 5.924,1126 29.502,1127 3.043,1128 18.169,1129 22.65,1130 0.068,1131 36.91,1132 17.541,1133 12769,1134 20188,1135 25.948,1136 37.79,1137 56.529,1138 56.813,1139 57.085,1140 56.495,1141 56.442,1142 73.692,1143 4.92,1144 165.642,1145 53.702,1146 5.603,1147 5.484,1148 6.708,1149 5.352,1150 5.294,1151 7.359,1152 1.72,1153 19.199,1154 5.152,1155 7.55,1156 1.528,1157 1.535,1158 1.543,1159 1.527,1160 1.525,1161 1.992,1162 0.133,1163 4.477,1164 1.451,1165 4.112,1166 4.147,1167 4.074,1168 4.022,1169 6.471,1170 4.029,1171 3.989,1172 4.021,1173 3.952,1174 3.907,1175 5.027,1176 3.913,1177 3.815,1178 3.852,1179 3.751,1180 3.691,1181 4.945,1182 3.701,1183 3.73,1184 3.784,1185 3.62,1186 3.526,1187 4.612,1188 3.541,1189 3.44,1190 3.486,1191 3.363,1192 3.336,1193 4.566,1194 3.333,1195 3.271,1196 3.339,1197 3.153,1198 3.073,1199 4.387,1200 3.085,1201 3.111,1202 3.206,1203 2.918,1204 2.941,1205 4.061,1206 2.91,1207 3.002,1208 3.059,1209 2.867,1210 2.858,1211 3.946,1212 2.862,1213 0.124,1214 0.094,1215 0.187,1216 0.115,1217 0.089,1218 4.603,1219 0.118,1220 3.484,1221 0.023,1222 6.906,1223 0.314,1224 4.248,1225 0.085,1226 3.294,1227 4.359,1228 0.86,1229 11.63,1230 3.152,1231 2.033,1232 2.008,1233 2.109,1234 2.124,1235 1.227,1236 2.121,1237 1.939,1238 1.915,1239 2.022,1240 2.053,1241 1.211,1242 2.041,1243 1.737,1244 1.687,1245 1.917,1246 1.943,1247 1.157,1248 1.94,1249 1.591,1250 1.548,1251 1.776,1252 1.76,1253 1.021,1254 1.755,1255 1.526,1256 1.471,1257 1.672,1258 1.713,1259 0.825,1260 1.716,1261 1.314,1262 1.252,1263 1.516,1264 1.486,1265 0.784,1266 1.506,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.598,1272 1.429,1273 0.979,1274 0.923,1275 1.193,1276 1.179,1277 0.279,1278 1.181,1279 4.317,1281 5.659,1282 2.398,1283 7.21,1284 4.727,1285 8.854,1286 6.862,1287 10.545,1294 10.085,1295 4.537,1297 5.529,1300 4.441,1305 36.278,1306 84.227,1307 201.697,1308 259.936,1309 293.975,1310 293.975,1311 293.975,1312 40.219,1313 8.608,1314 74.61,1315 74.61,1316 35,1317 12.958,1318 4.585,1319 3.644,1320 41.015,1321 119,1322 129,1323 0.165,1324 215.981,1325 366.84,1326 518.754,1327 67366,1329 21.493,1330 0.672,1331 0.55,1332 21.493,1333 17.608,1334 15.759,1335 0.426,1336 0.295,1337 10.76,1338 15.167,1339 10.587,1340 8.65,1341 15.759,1342 10.915,1343 14.272,1344 0.269,1345 0.153,1346 14.272,1347 8.106,1348 12.718,1349 0.17,1350 0.082,1351 12.718,1352 6.126,1353 11.268,1354 0.107,1355 0.043,1356 11.268,1357 4.523,1358 9.667,1359 0.068,1360 0.022,1361 9.667,1362 3.155,1363 0.252,1364 98.515,1365 0.196,1366 29.281,1367 0.478,1368 180,1369 482.111,1370 196.195,1371 468.311,1372 663.09,1373 444,1374 218,1375 507.103,1376 235.419,1377 512.506,1378 762.17,1379 486,1380 4.301}
{0 CHEMBL2314582,1 1.719,2 8.148,3 3.469,4 12.032,5 106.261,6 8.293,7 0.548,8 3.975,9 4.08,10 3.688,11 3.532,12 5.057,13 3.513,14 4.526,15 4.688,16 4.075,17 3.929,18 5.575,19 3.897,20 4.718,21 4.918,22 4.036,23 4.011,24 5.69,25 3.949,26 4.715,27 4.926,28 4.087,29 4.031,30 5.727,31 3.967,32 4.71,33 4.903,34 4.079,35 4.059,36 5.756,37 3.992,38 4.734,39 4.931,40 4.093,41 4.074,42 5.688,43 4.008,44 4.802,45 4.993,46 4.089,47 4.125,48 5.789,49 4.015,50 4.901,51 5.147,52 3.902,53 4.088,54 5.76,55 3.911,56 0.061,57 0.742,58 8.696,59 4.17,60 7.275,61 4.86,62 0.364,63 1.253,64 19.577,65 6.893,66 21.146,67 8.302,68 0.38,69 1.411,70 24.426,71 8.677,72 27.4,73 10.954,74 0.418,75 1.495,76 25.876,77 8.186,78 32.828,79 10.349,80 0.404,81 1.459,82 23.927,83 8.512,84 35.732,85 10.849,86 0.344,87 1.489,88 23.487,89 8.342,90 19.585,91 10.93,92 0.416,93 1.502,94 25.256,95 10.404,96 31.546,97 13.178,98 0.433,99 1.551,100 38.894,101 13.17,102 40.15,103 15.976,104 2,105 44,106 0.293,107 0.652,108 0.802,109 0.852,110 0.852,111 0.852,112 3.342,113 0.956,114 -4.36,115 -4.3,116 -4.05,119 41.3,121 1,125 5,142 4,143 2,144 1,145 1,146 1,147 1,150 1,151 1,162 1,172 5,174 5,175 7,180 2,183 5,186 1,187 4,192 2,195 5,198 3,199 8,204 1,207 5,211 2,212 8,215 1,217 1,220 2,223 2,224 6,229 1,232 2,236 1,237 7,240 3,245 2,250 4,258 1,262 1,263 3,266 1,268 1,271 1,275 1013,276 18.861,277 18.861,278 18.861,279 18.861,280 18.861,281 16.876,282 23.846,283 11.227,284 19.656,285 15.368,286 15.368,287 15.368,288 15.368,289 15.368,290 12.334,291 34.918,292 5.377,293 16.694,294 3.805,295 1.697,296 0.815,297 0.522,298 0.522,299 0.522,300 4.056,303 1,304 1,305 1,306 493,307 2.121,310 116.044,311 210.154,314 97.436,318 1.064,319 23.067,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 220,332 4.596,333 3.481,334 6.904,335 4.238,336 3.29,337 4.275,338 0.86,339 11.622,340 3.135,341 4.15,342 3.09,343 6.335,344 3.778,345 2.856,346 3.685,347 0.8,348 9.62,349 2.659,350 3.977,351 2.929,352 6.101,353 3.669,354 2.744,355 3.494,356 0.8,357 8.913,358 2.51,359 3.78,360 2.624,361 5.612,362 3.36,363 2.433,364 3.089,366 7.333,367 2.24,368 3.478,369 2.297,370 5.07,371 3.032,372 2.11,373 2.807,375 5.979,376 1.927,377 2.997,378 2.246,379 4.644,380 2.729,381 1.829,382 2.123,384 4.68,385 1.642,386 2.939,387 1.78,388 4.504,389 2.536,390 1.593,391 2.023,393 4.489,394 1.489,395 2.706,396 1.635,397 4.119,398 2.246,399 1.312,400 1.787,402 3.382,403 1.223,404 2.576,405 1.356,406 3.722,407 2.181,408 1.235,409 1.609,411 2.864,412 1.162,413 2.311,414 1.256,415 3.481,416 2.019,417 1.092,418 1.298,420 2.553,421 1.003,422 2.129,423 1.2,424 3.434,425 1.952,426 1,427 1.066,428 2.18,429 0.946,430 2.118,431 0.993,432 3.26,433 1.833,434 0.903,435 1,436 2.136,437 0.832,438 2,439 0.726,440 3.247,441 1.48,442 0.618,443 0.927,445 1.544,446 0.511,447 1.804,448 0.618,449 3,450 1.413,451 0.557,452 0.68,454 1.372,455 0.483,456 1.008,457 -0.057,458 2.774,459 0.606,460 -0.341,461 -0.425,463 -0.838,464 -0.32,465 13,466 0.481,467 0.551,468 0.02,469 36.75,470 1.361,471 17.5,472 0.648,473 19.25,474 0.713,475 22.194,476 0.822,477 28.4,478 0.617,479 25.2,480 0.933,481 6.937,482 0.257,483 6.356,484 0.235,485 0.026,487 0.331,493 0.936,494 1.404,495 0.702,496 0.991,497 0.879,498 0.896,499 1.066,500 0.976,501 0.882,502 0.907,503 0.708,504 0.85,505 1.087,506 1.169,507 0.863,508 0.894,509 0.957,510 0.934,511 0.979,512 0.966,513 0.996,514 0.868,515 0.997,516 0.866,517 0.805,518 1.126,519 0.954,520 0.96,521 0.798,522 0.982,523 0.889,524 1.011,525 0.863,526 0.928,527 0.734,528 0.997,529 0.726,530 1.13,531 0.936,532 1.1,533 0.872,534 1.205,535 0.952,536 0.93,537 1.318,538 1.217,539 0.953,540 1.128,541 4,542 0.042,543 2.889,544 1.313,545 1.183,546 1.084,547 0.667,548 0.312,549 0.175,550 0.113,551 8447,552 23024,553 2.231,554 41.3,556 14,557 1,558 1,559 1,561 2,564 1.711,565 2.16,566 3.051,567 -0.272,569 1,573 79.053,574 1.719,575 3.827,576 4.708,577 5.002,578 5.002,579 5.002,580 2.272,581 4.31,582 4.725,583 3.218,584 1129.45,585 8.258,586 14105.3,588 1,590 1,591 254.084,592 1.125,593 4.716,594 0.129,595 0.005,596 0.066,597 0.031,598 0.027,599 0.024,600 0.015,601 0.008,602 0.006,603 0.006,604 0.315,605 0.33,606 0.88,607 0.352,608 130.125,609 -0.081,610 -0.282,611 0.073,612 -0.044,613 -0.064,614 -0.006,615 -0.008,616 0.129,617 0.023,618 0.036,619 0.035,620 0.042,621 -0.103,622 -0.163,623 -0.006,624 0.004,625 -0.065,626 0.003,627 -0.111,628 0.138,629 -0.041,630 0.064,631 -0.122,632 0.051,633 0.024,634 -0.054,635 -0.078,636 -0.041,637 0.014,638 -0.057,639 -0.08,640 0.046,641 -0.044,642 -0.046,643 -0.041,644 -0.074,645 0.128,646 -0.147,647 -0.065,648 -0.149,649 0.071,650 -0.235,651 -0.081,653 -0.11,654 -0.084,655 -0.047,656 -0.066,657 1.428,658 3.954,659 0.963,660 22.612,661 1.009,662 1.125,663 3.135,664 9.825,665 0.694,666 3.466,667 3.807,668 4.143,669 4.477,670 4.727,671 4.92,672 5.159,673 5.342,674 5.472,675 5.549,676 5.449,677 0.661,678 381.5,679 3.466,680 5.017,681 5.894,682 6.792,683 7.69,684 8.6,685 9.508,686 10.424,687 11.339,688 12.259,689 10.9,695 1,697 1,699 3,704 6,705 3,708 1,709 7,711 17,726 2,728 1,731 46,733 17,734 1,735 31,737 50,738 19,739 13,740 2,741 4,746 5,747 6,755 1,758 1,761 13,762 6,777 1,778 1,781 19,782 7,783 1,784 8,785 1,790 5,794 0.8,795 2,806 1,811 2,812 3,815 1,839 1,840 4,842 1,848 27,853 1,854 6,856 1,859 2,863 1,870 4.3,872 1,874 1,877 12.5,878 8.283,879 5.833,880 2.81,881 2.763,882 1.354,883 1.011,884 4.516,885 10.572,886 3.701,887 4.294,888 4.897,889 5.507,890 6.009,891 6.386,892 6.864,893 7.284,894 7.656,895 7.962,896 0.667,897 43,898 9.989,900 4.338,901 7.611,902 19.391,904 16.426,905 2.111,906 57,909 1,910 211.88,911 117.771,912 56.605,914 53.683,916 31.278,917 86.494,918 265.563,919 56.605,921 18.036,922 45.554,923 115.811,924 24.925,925 15.998,926 219.615,928 211.88,929 143.099,930 53.683,931 31.278,933 188.338,934 66.226,935 11,937 35.365,938 57.377,939 50.357,940 31.278,941 211.88,942 110.288,943 117.771,946 211.88,947 63.17,948 60.85,950 104.04,951 211.88,952 110.288,953 117.771,955 0.58,956 0.345,957 0.199,958 0.107,959 24,960 9,961 0.06,962 3,963 1,964 1.077,965 3.871,966 253.293,967 0.077,968 26,969 124.382,970 1,974 17.05,975 7.152,976 3.202,978 110.288,979 11.067,980 14.278,983 1.61,984 5.705,986 42.683,987 439.94,988 39.5,999 46.425,1000 51.737,1001 0.311,1002 0.693,1003 0.852,1004 0.906,1005 0.906,1006 0.906,1007 4.951,1008 1.312,1009 5.872,1010 4.489,1011 4.489,1012 4.98,1013 1.481,1014 6.715,1015 4.339,1016 6.136,1017 1.235,1018 7.44,1019 3.382,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.797,1025 7.437,1026 1.092,1027 9.113,1028 2.864,1029 6.098,1030 7.134,1031 1.104,1032 10.824,1033 5.823,1034 8.777,1035 1,1036 10.851,1037 2.553,1038 6.509,1039 7.712,1040 0.479,1041 12.646,1042 6.176,1043 10.153,1044 0.903,1045 12.632,1046 2.18,1047 8.018,1048 9.587,1049 0.854,1050 15.311,1051 7.634,1052 11.555,1053 0.618,1054 14.442,1055 2.136,1056 8.834,1057 10.576,1058 0.346,1059 17.48,1060 8.398,1061 12.976,1062 0.557,1063 16.273,1064 1.544,1065 10.118,1066 12.207,1067 0.661,1068 19.985,1069 9.637,1070 3.29,1071 -0.341,1072 18.12,1073 1.372,1074 11.122,1075 13.405,1076 0.237,1077 22.303,1078 10.594,1079 2.856,1080 11.622,1081 19.978,1082 -0.838,1083 12.322,1084 14.928,1085 0.505,1086 24.757,1087 11.751,1088 2.744,1089 9.62,1090 21.846,1091 4.275,1092 13.413,1093 16.237,1094 0.158,1095 27.14,1096 12.798,1097 2.433,1098 8.913,1099 23.721,1100 3.685,1101 14.586,1102 17.71,1103 0.382,1104 29.581,1105 13.929,1106 2.11,1107 7.333,1108 25.602,1109 3.494,1110 15.719,1111 19.08,1112 0.104,1113 31.996,1114 15.019,1115 1.829,1116 5.979,1117 27.489,1118 3.089,1119 16.887,1120 20.533,1121 0.285,1122 34.436,1123 16.145,1124 1.593,1125 4.68,1126 29.381,1127 2.807,1128 18.041,1129 21.936,1130 0.068,1131 36.867,1132 17.257,1133 7787,1134 12989,1135 21.671,1136 31.915,1137 47.448,1138 47.351,1139 47.379,1140 47.099,1141 47.145,1142 59.727,1143 4.92,1144 137.332,1145 43.524,1146 5.596,1147 5.481,1148 6.706,1149 5.362,1150 5.29,1151 7.275,1152 1.72,1153 19.18,1154 5.135,1155 6.683,1156 1.531,1157 1.527,1158 1.528,1159 1.519,1160 1.521,1161 1.927,1162 0.159,1163 4.43,1164 1.404,1165 4.06,1166 4.1,1167 4.224,1168 3.957,1169 6.471,1170 3.961,1171 3.845,1172 3.872,1173 3.974,1174 3.795,1175 4.998,1176 3.754,1177 3.774,1178 3.824,1179 3.742,1180 3.645,1181 4.822,1182 3.622,1183 3.66,1184 3.695,1185 3.601,1186 3.513,1187 4.612,1188 3.517,1189 3.285,1190 3.354,1191 3.185,1192 3.076,1193 4.556,1194 3.09,1195 3.111,1196 3.206,1197 2.904,1198 2.941,1199 4.099,1200 2.91,1201 2.974,1202 3.01,1203 2.866,1204 2.785,1205 3.885,1206 2.806,1207 2.909,1208 2.962,1209 2.781,1210 2.745,1211 3.61,1212 2.745,1213 0.148,1214 0.112,1215 0.223,1216 0.137,1217 0.106,1218 4.596,1219 0.138,1220 3.481,1221 0.028,1222 6.904,1223 0.375,1224 4.238,1225 0.101,1226 3.29,1227 4.275,1228 0.86,1229 11.622,1230 3.135,1231 1.94,1232 1.917,1233 2.023,1234 2.058,1235 1.211,1236 2.044,1237 1.738,1238 1.689,1239 1.918,1240 1.943,1241 1.16,1242 1.94,1243 1.591,1244 1.548,1245 1.776,1246 1.763,1247 1.031,1248 1.755,1249 1.5,1250 1.447,1251 1.621,1252 1.718,1253 0.825,1254 1.718,1255 1.356,1256 1.322,1257 1.513,1258 1.494,1259 0.791,1260 1.517,1261 1.153,1262 1.064,1263 1.48,1264 1.376,1265 0.557,1266 1.429,1267 1.083,1268 1.043,1269 1.145,1270 1.241,1271 0.299,1272 1.261,1273 0.883,1274 0.842,1275 1.124,1276 1.148,1277 0.24,1278 1.132,1279 4.143,1281 5.476,1282 3.045,1283 7.009,1284 5.283,1285 8.636,1286 7.31,1287 10.316,1294 9.954,1295 4.584,1297 5.475,1300 4.326,1305 30.411,1306 79.053,1307 176.045,1308 216.574,1309 230.084,1310 230.084,1311 230.084,1312 33.703,1313 7.81,1314 74.61,1315 102.85,1316 28,1317 12.769,1318 4.17,1319 3.248,1320 35.336,1321 89,1322 83,1323 0.2,1324 185.734,1325 312.73,1326 444.95,1327 23944,1329 18.217,1330 0.675,1331 0.575,1332 18.571,1333 15.523,1334 13.293,1335 0.429,1336 0.319,1337 8.917,1338 12.245,1339 8.709,1340 7.096,1341 13.747,1342 9.874,1343 11.939,1344 0.271,1345 0.168,1346 12.522,1347 7.413,1348 10.537,1349 0.17,1350 0.091,1351 11.203,1352 5.673,1353 9.355,1354 0.108,1355 0.049,1356 10.028,1357 4.246,1358 7.439,1359 0.066,1360 0.024,1361 7.813,1362 2.707,1363 0.3,1364 88.259,1365 0.215,1366 25.209,1367 0.594,1368 150,1369 432.971,1370 189.645,1371 435.228,1372 608.03,1373 412,1374 181,1375 443.503,1376 217.07,1377 459.461,1378 684.24,1379 434,1380 7.31}
{0 CHEMBL2314583,1 1.603,2 8.821,3 3.661,4 13.399,5 108.533,6 7.57,7 0.531,8 4.051,9 4.173,10 3.648,11 3.528,12 5.122,13 3.535,14 4.61,15 4.795,16 4.025,17 3.935,18 5.645,19 3.928,20 4.807,21 5.018,22 4.027,23 4.054,24 5.781,25 4.007,26 4.81,27 5.036,28 4.029,29 4.054,30 5.798,31 4.005,32 4.807,33 5.025,34 4.068,35 4.069,36 5.821,37 4.026,38 4.818,39 5.021,40 4.068,41 4.123,42 5.766,43 4.071,44 4.939,45 5.152,46 4.037,47 4.173,48 5.898,49 4.08,50 5.005,51 5.268,52 3.841,53 4.097,54 5.855,55 3.967,56 0.074,57 0.811,58 10.318,59 4.148,60 8.27,61 5.554,62 0.372,63 1.309,64 20.731,65 6.713,66 23.72,67 9.307,68 0.432,69 1.498,70 26.415,71 8.269,72 32.118,73 11.991,74 0.389,75 1.54,76 26.413,77 8.064,78 35.295,79 12.08,80 0.481,81 1.538,82 26.218,83 7.918,84 40.173,85 11.922,86 0.32,87 1.571,88 25.539,89 8.686,90 21.026,91 12.471,92 0.51,93 1.641,94 29.908,95 10.729,96 37.918,97 15.288,98 0.388,99 1.572,100 34.776,101 11.681,102 41.977,103 17.165,104 5,105 46,106 0.269,107 0.623,108 0.792,109 0.85,110 0.85,111 0.85,112 3.376,113 0.89,114 -4.66,115 -4.57,116 -4.3,119 40,121 1,124 1,125 5,142 5,143 2,144 1,146 1,147 2,150 1,151 1,166 1,172 5,174 5,175 8,180 2,183 5,186 2,187 4,192 2,195 5,198 3,199 8,204 1,207 5,211 3,212 10,215 1,217 1,220 2,223 2,224 6,229 1,232 2,236 3,237 8,240 3,245 2,250 6,258 1,262 1,263 4,266 1,268 1,271 1,275 1136,276 19.309,277 19.309,278 19.309,279 19.309,280 19.309,281 17.299,282 27.008,283 11.364,284 19.918,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.745,291 39.918,292 5.456,293 16.868,294 4.041,295 1.93,296 0.917,297 0.575,298 0.575,299 0.575,300 4.088,303 1,304 1,305 1,306 550,307 2.236,310 121.959,311 220.411,314 102.393,318 1.204,319 23.323,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 247,332 4.599,333 3.484,334 6.906,335 4.245,336 3.293,337 4.277,338 0.86,339 11.628,340 3.145,341 4.201,342 3.097,343 6.344,344 3.831,345 2.886,346 3.782,347 0.8,348 9.666,349 2.733,350 4.008,351 2.942,352 6.101,353 3.671,354 2.744,355 3.58,356 0.8,357 8.913,358 2.531,359 3.835,360 2.674,361 5.66,362 3.481,363 2.523,364 3.112,366 7.548,367 2.407,368 3.555,369 2.422,370 5.158,371 3.171,372 2.228,373 2.871,375 6.266,376 2.095,377 3.174,378 2.297,379 4.9,380 2.807,381 1.87,382 2.37,384 5.43,385 1.755,386 2.974,387 2.044,388 4.567,389 2.719,390 1.804,391 2.027,393 4.675,394 1.638,395 2.836,396 1.654,397 4.449,398 2.368,399 1.416,400 1.976,402 4.104,403 1.344,404 2.604,405 1.511,406 3.931,407 2.182,408 1.257,409 1.651,411 2.975,412 1.163,413 2.35,414 1.256,415 3.722,416 2.108,417 1.136,418 1.334,420 2.734,421 1.097,422 2.263,423 1.209,424 3.481,425 1.952,426 1.022,427 1.212,428 2.551,429 0.946,430 2.125,431 1.19,432 3.428,433 1.942,434 1,435 1.009,436 2.136,437 0.933,438 2,439 0.839,440 3.267,441 1.715,442 0.745,443 1,445 1.874,446 0.721,447 1.823,448 0.673,449 3.247,450 1.514,451 0.574,452 0.709,454 1.57,455 0.538,456 1.009,457 -0.057,458 2.779,459 0.616,460 -0.333,461 -0.41,463 -0.832,464 -0.313,465 13.067,466 0.467,467 0.657,468 0.023,469 37.5,470 1.339,471 17.5,472 0.625,473 20,474 0.714,475 22.768,476 0.813,477 30.133,478 0.603,479 27.712,480 0.99,481 7.313,482 0.261,483 6.374,484 0.228,485 0.064,487 0.36,493 0.901,494 1.521,495 0.751,496 1.187,497 0.889,498 0.985,499 1.125,500 0.997,501 0.871,502 0.852,503 0.682,504 0.82,505 1.119,506 1.131,507 1.004,508 0.961,509 1.033,510 0.96,511 0.907,512 1.079,513 0.969,514 0.949,515 0.969,516 0.947,517 0.862,518 1.065,519 0.946,520 0.9,521 0.803,522 0.913,523 0.905,524 1.113,525 1.036,526 1.083,527 0.712,528 1.065,529 0.724,530 1.103,531 1.091,532 1.235,533 0.892,534 1.232,535 0.851,536 1.039,537 1.012,538 1.157,539 0.905,540 1.119,541 5,542 0.098,543 3.111,544 1.632,545 1.308,546 1.195,547 0.752,548 0.364,549 0.295,550 0.178,551 9240,552 23357,553 2.2,554 44,556 18,557 1,559 1,561 2,564 1.72,565 2.1,566 3.131,567 -0.288,569 1,573 80.137,574 1.603,575 3.714,576 4.726,577 5.069,578 5.069,579 5.069,580 2.445,581 4.522,582 4.777,583 3.286,584 1241.93,585 8.362,586 15870.6,588 1,590 1,591 282.193,592 1.264,593 4.757,594 0.156,595 0.008,596 0.068,597 0.036,598 0.029,599 0.025,600 0.016,601 0.008,602 0.009,603 0.007,604 0.363,605 0.33,606 0.88,607 0.444,608 136.865,609 -0.015,610 -0.302,611 0.083,612 -0.13,613 -0.063,614 -0.032,615 -0.044,616 0.142,617 0.057,618 0.115,619 0.07,620 0.1,621 -0.12,622 -0.071,623 -0.055,624 0.012,625 -0.11,626 -0.009,627 -0.075,628 0.012,629 -0.029,630 0.001,631 -0.103,632 -0.001,633 0.02,634 0.036,635 -0.008,636 0.052,637 0.02,638 0.027,639 -0.103,640 -0.002,641 -0.131,642 -0.091,643 -0.025,644 -0.105,645 0.128,646 -0.078,647 -0.161,648 -0.219,649 0.043,650 -0.241,651 -0.021,652 -0.14,653 -0.022,654 -0.149,655 -0.023,656 -0.091,657 1.433,658 3.98,659 0.929,660 24.357,661 1.007,662 1.135,663 3.426,664 11.736,665 0.661,666 3.497,667 3.85,668 4.174,669 4.511,670 4.771,671 4.956,672 5.198,673 5.394,674 5.537,675 5.628,676 5.634,677 0.635,678 378.48,679 3.497,680 5.056,681 5.932,682 6.834,683 7.731,684 8.643,685 9.552,686 10.469,687 11.384,688 12.306,689 12,695 1,697 2,699 3,704 6,705 3,709 7,710 1,711 17,726 2,728 1,731 50,733 17,734 1,735 32,737 54,738 20,739 13,740 2,741 4,746 5,747 6,755 1,758 1,761 13,762 7,778 1,781 22,782 7,783 1,784 8,790 6,794 0.8,795 2,803 1,806 1,811 2,812 3,815 1,839 1,840 4,844 1,848 28,853 1,854 6,856 1,859 2,870 4,872 1,874 1,877 13.333,878 9.317,879 6,880 3.036,881 2.803,882 1.354,883 1,884 4.511,885 10.713,886 3.726,887 4.334,888 4.93,889 5.542,890 6.053,891 6.412,892 6.895,893 7.324,894 7.709,895 8.032,896 0.833,897 45,898 10.353,900 4.473,901 7.613,902 20.067,904 16.88,905 2.113,906 59.167,908 1,909 1,910 247.193,911 98.544,912 58.259,914 53.683,917 98.544,918 300.876,919 58.259,920 8.396,921 18.036,922 56.429,923 103.917,924 17.153,925 18.326,926 235.422,928 247.193,929 156.804,930 53.683,933 223.651,934 66.226,935 11,937 27.593,938 78.976,939 50.234,941 247.193,942 111.942,943 98.544,946 247.193,947 33.719,948 72.85,950 103.917,951 247.193,952 111.942,953 98.544,955 0.585,956 0.343,957 0.196,958 0.109,959 25,960 10,961 0.056,962 3,963 1,964 1.077,965 3.924,966 266.106,967 0.077,968 26,969 130.606,974 17.619,975 7.169,976 3.296,978 110.166,979 11.199,980 14.393,984 5.578,985 1.799,986 42.683,987 457.68,988 40.5,999 50.334,1000 56.73,1001 0.284,1002 0.658,1003 0.837,1004 0.898,1005 0.898,1006 0.898,1007 4.985,1008 1.416,1009 5.922,1010 4.675,1011 4.533,1012 5.021,1013 1.481,1014 6.767,1015 4.416,1016 6.183,1017 1.257,1018 7.494,1019 4.104,1020 4.111,1021 4.796,1022 0.57,1023 7.711,1024 3.93,1025 7.492,1026 1.136,1027 9.168,1028 2.975,1029 6.151,1030 7.189,1031 1.104,1032 10.864,1033 5.927,1034 8.837,1035 1.022,1036 10.903,1037 2.734,1038 6.581,1039 7.806,1040 0.479,1041 12.673,1042 6.299,1043 10.216,1044 1,1045 12.679,1046 2.551,1047 8.071,1048 9.655,1049 0.854,1050 15.336,1051 7.747,1052 11.62,1053 0.745,1054 14.484,1055 2.136,1056 8.891,1057 10.663,1058 0.346,1059 17.498,1060 8.515,1061 13.041,1062 0.574,1063 16.31,1064 1.874,1065 10.168,1066 12.282,1067 0.661,1068 20.003,1069 9.749,1070 3.293,1071 -0.333,1072 18.151,1073 1.57,1074 11.171,1075 13.49,1076 0.237,1077 22.317,1078 10.704,1079 2.886,1080 11.628,1081 20.006,1082 -0.832,1083 12.367,1084 15.005,1085 0.505,1086 24.771,1087 11.857,1088 2.744,1089 9.666,1090 21.87,1091 4.277,1092 13.456,1093 16.317,1094 0.158,1095 27.153,1096 12.902,1097 2.523,1098 8.913,1099 23.742,1100 3.782,1101 14.626,1102 17.785,1103 0.382,1104 29.594,1105 14.029,1106 2.228,1107 7.548,1108 25.621,1109 3.58,1110 15.758,1111 19.154,1112 0.104,1113 32.008,1114 15.117,1115 1.87,1116 6.266,1117 27.506,1118 3.112,1119 16.923,1120 20.603,1121 0.285,1122 34.448,1123 16.24,1124 1.804,1125 5.43,1126 29.396,1127 2.871,1128 18.076,1129 22.004,1130 0.068,1131 36.878,1132 17.35,1133 8575,1134 13762,1135 22.076,1136 33.034,1137 49.258,1138 49.282,1139 49.817,1140 49.073,1141 48.995,1142 61.824,1143 4.92,1144 144.132,1145 46.092,1146 5.599,1147 5.484,1148 6.707,1149 5.348,1150 5.293,1151 7.277,1152 1.72,1153 19.198,1154 5.145,1155 9.796,1156 1.539,1157 1.54,1158 1.557,1159 1.534,1160 1.531,1161 1.932,1162 0.154,1163 4.504,1164 1.44,1165 4.074,1166 4.121,1167 4.039,1168 3.95,1169 6.471,1170 3.964,1171 3.899,1172 3.952,1173 3.85,1174 3.75,1175 5.02,1176 3.766,1177 3.799,1178 3.846,1179 3.729,1180 3.616,1181 4.893,1182 3.64,1183 3.702,1184 3.757,1185 3.596,1186 3.511,1187 4.612,1188 3.523,1189 3.297,1190 3.368,1191 3.193,1192 3.08,1193 4.558,1194 3.096,1195 3.111,1196 3.206,1197 2.92,1198 2.941,1199 4.119,1200 2.91,1201 3.064,1202 3.161,1203 2.866,1204 2.854,1205 3.886,1206 2.846,1207 2.963,1208 3,1209 2.816,1210 2.771,1211 3.725,1212 2.78,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.599,1219 0.134,1220 3.484,1221 0.027,1222 6.906,1223 0.363,1224 4.245,1225 0.098,1226 3.293,1227 4.277,1228 0.86,1229 11.628,1230 3.145,1231 1.94,1232 1.917,1233 2.023,1234 2.059,1235 1.211,1236 2.044,1237 1.739,1238 1.69,1239 1.918,1240 1.943,1241 1.16,1242 1.94,1243 1.593,1244 1.55,1245 1.781,1246 1.817,1247 1.034,1248 1.792,1249 1.562,1250 1.505,1251 1.75,1252 1.772,1253 0.828,1254 1.755,1255 1.501,1256 1.41,1257 1.667,1258 1.739,1259 0.825,1260 1.751,1261 1.207,1262 1.137,1263 1.513,1264 1.413,1265 0.772,1266 1.429,1267 1.153,1268 1.064,1269 1.434,1270 1.376,1271 0.508,1272 1.423,1273 0.883,1274 0.843,1275 1.143,1276 1.15,1277 0.274,1278 1.139,1279 4.174,1281 5.517,1282 3.045,1283 7.054,1284 5.352,1285 8.679,1286 7.413,1287 10.357,1289 1.914,1294 9.98,1295 4.515,1297 5.484,1300 4.304,1305 31.772,1306 80.137,1307 185.715,1308 236.319,1309 253.438,1310 253.438,1311 253.438,1312 35.564,1313 7.91,1314 79.54,1315 79.54,1316 28,1317 12.815,1318 4.17,1319 3.248,1320 37.233,1321 95,1322 95,1323 0.196,1324 190.989,1325 322.52,1326 457.774,1327 27052,1329 19.087,1330 0.682,1331 0.562,1332 19.087,1333 15.745,1334 13.687,1335 0.428,1336 0.297,1337 9.308,1338 12.991,1339 9.133,1340 7.479,1341 13.687,1342 9.491,1343 12.573,1344 0.273,1345 0.154,1346 12.573,1347 7.073,1348 10.873,1349 0.17,1350 0.081,1351 10.873,1352 5.204,1353 9.61,1354 0.107,1355 0.042,1356 9.61,1357 3.81,1358 7.821,1359 0.067,1360 0.022,1361 7.821,1362 2.54,1363 0.295,1364 86.731,1365 0.213,1366 26.019,1367 0.581,1368 156,1369 443.756,1370 174.332,1371 425.005,1372 597.73,1373 402,1374 188,1375 459.101,1376 208.055,1377 459.961,1378 681.41,1379 434,1380 6.638}
{0 CHEMBL2314584,1 1.551,2 9.241,3 3.572,4 12.758,5 112.248,6 7.49,7 0.545,8 4.076,9 4.191,10 3.67,11 3.586,12 5.129,13 3.584,14 4.638,15 4.815,16 4.018,17 3.977,18 5.637,19 3.959,20 4.824,21 5.028,22 4.071,23 4.118,24 5.753,25 4.067,26 4.844,27 5.058,28 4.06,29 4.145,30 5.795,31 4.082,32 4.904,33 5.126,34 4.102,35 4.188,36 5.849,37 4.117,38 4.902,39 5.116,40 4.104,41 4.196,42 5.806,43 4.131,44 4.946,45 5.153,46 4.073,47 4.225,48 5.846,49 4.138,50 5.026,51 5.264,52 3.928,53 4.22,54 5.855,55 4.085,56 0.01,57 0.804,58 10.596,59 4.516,60 7.492,61 5.94,62 0.357,63 1.31,64 21.641,65 7.364,66 25.899,67 9.756,68 0.337,69 1.543,70 26.688,71 9.017,72 25.661,73 12.682,74 0.326,75 1.621,76 26.882,77 9.141,78 30.869,79 13.077,80 0.388,81 1.67,82 29.112,83 10.063,84 37.825,85 14.633,86 0.276,87 1.69,88 28.539,89 9.807,90 26.147,91 14.031,92 0.458,93 1.688,94 30.048,95 10.897,96 30.195,97 15.269,98 0.276,99 1.7,100 33.947,101 13.338,102 32.711,103 18.573,104 3,105 46,106 0.258,107 0.59,108 0.768,109 0.829,110 0.829,111 0.829,112 3.409,113 0.899,114 -4.15,115 -4.09,116 -3.87,119 42.3,121 1,124 1,125 5,142 6,143 2,144 2,145 2,146 1,147 1,150 1,172 5,174 4,175 11,183 6,186 1,187 6,195 5,198 3,199 8,207 7,211 3,212 9,220 2,223 1,224 10,232 3,236 4,237 5,245 4,249 2,250 4,258 2,263 7,271 2,275 1277,276 20.438,277 20.438,278 20.438,279 20.438,280 20.438,281 18.376,282 26.003,283 12.23,284 21.164,285 16.295,286 16.295,287 16.295,288 16.295,289 16.295,290 13.09,291 38.406,292 5.773,293 17.367,294 4.149,295 2.147,296 1.073,297 0.707,298 0.707,299 0.707,300 4.125,304 1,305 1,306 595,307 2.345,310 58.427,311 310.633,314 106.282,318 1.301,319 19.531,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 268,332 4.596,333 3.48,334 6.904,335 4.243,336 3.289,337 4.275,338 0.86,339 11.622,340 3.147,341 4.151,342 3.09,343 6.335,344 3.809,345 2.856,346 3.687,347 0.86,348 9.626,349 2.728,350 3.982,351 2.966,352 6.101,353 3.674,354 2.751,355 3.483,356 0.8,357 8.917,358 2.527,359 3.788,360 2.74,361 5.633,362 3.423,363 2.465,364 3.092,365 0.8,366 7.469,367 2.36,368 3.512,369 2.309,370 5.254,371 3.108,372 2.156,373 2.843,375 6.448,376 2.042,377 3.053,378 2.293,379 4.7,380 2.732,381 1.831,382 2.237,384 4.692,385 1.646,386 2.968,387 1.834,388 4.514,389 2.611,390 1.664,391 2.026,393 4.591,394 1.57,395 2.827,396 1.642,397 4.126,398 2.329,399 1.389,400 1.968,402 3.464,403 1.303,404 2.605,405 1.464,406 3.735,407 2.188,408 1.26,409 1.652,411 2.9,412 1.168,413 2.5,414 1.256,415 3.493,416 2.081,417 1.126,418 1.5,420 2.584,421 1.068,422 2.336,423 1.232,424 3.489,425 1.984,426 1,427 1.324,428 2.511,429 0.983,430 2.212,431 1.135,432 3.419,433 1.952,434 1,435 1.168,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.921,442 1,443 1,445 2.136,446 0.915,447 1.848,448 0.937,449 3.247,450 1.584,451 0.638,452 0.755,454 1.777,455 0.602,456 1.583,457 0.794,458 2.796,459 1.292,460 0.426,461 0.479,463 0.621,464 0.366,465 13.667,466 0.471,467 0.513,468 0.018,469 40,470 1.379,471 19.5,472 0.672,473 20.5,474 0.707,475 23.241,476 0.801,477 30.733,478 0.591,479 29.227,480 1.008,481 7.901,482 0.272,483 6.43,484 0.222,485 0.037,487 0.315,493 0.882,494 1.524,495 0.744,496 1.204,497 0.756,498 0.993,499 1.379,500 0.945,501 0.942,502 0.823,503 1.088,504 0.821,505 1.122,506 1.143,507 0.964,508 0.936,509 1.003,510 0.925,511 0.888,512 1.039,513 1.022,514 0.979,515 1.174,516 0.997,517 0.712,518 1.089,519 0.914,520 0.969,521 0.88,522 0.961,523 0.916,524 1.105,525 1.011,526 1.027,527 0.829,528 1.014,529 0.849,530 1.037,531 1.109,532 1.113,533 0.876,534 1.14,535 0.732,536 1.052,537 1.059,538 1.26,539 0.787,540 1.226,541 4,542 0.07,543 2.889,544 1.472,545 1.254,546 1.212,547 0.736,548 0.364,549 0.209,550 0.126,551 10168,552 25221,553 2.215,554 44.2,556 19,558 2,561 2,564 1.729,565 2.148,566 3.195,567 -0.751,569 1,573 80.664,574 1.551,575 3.554,576 4.628,577 4.994,578 4.994,579 4.994,580 2.5,581 4.418,582 4.826,583 3.342,584 1356.8,585 8.464,586 17799.2,588 1,590 1,591 296.423,592 1.091,593 4.82,594 0.121,595 0.004,596 0.063,597 0.031,598 0.027,599 0.025,600 0.015,601 0.008,602 0.006,603 0.005,604 0.304,605 0.33,606 0.88,607 0.503,608 143.693,609 -0.009,610 -0.354,611 0.095,612 -0.166,613 0.055,614 -0.044,615 -0.106,616 0.161,617 0.01,618 0.136,619 -0.031,620 0.091,621 -0.108,622 -0.083,623 -0.014,624 0.034,625 -0.07,626 0.023,627 -0.07,628 0.064,629 -0.092,630 -0.024,631 -0.191,632 -0.053,633 0.081,634 -0.035,635 0.026,636 0.006,637 0.046,638 0.008,639 -0.097,640 -0.023,641 -0.08,642 -0.062,643 -0.04,644 -0.06,645 0.057,646 0.004,647 -0.173,648 -0.122,649 -0.017,650 -0.171,651 0.04,652 -0.127,653 -0.103,654 -0.228,655 0.029,656 -0.195,657 0.911,658 2.018,659 0.931,660 26.378,661 1.002,662 1.128,663 2.916,664 8.504,665 0.669,666 3.526,667 3.85,668 4.19,669 4.511,670 4.804,671 4.963,672 5.215,673 5.403,674 5.545,675 5.659,676 5.816,677 0.64,678 389.5,679 3.526,680 5.069,681 5.943,682 6.834,683 7.73,684 8.634,685 9.541,686 10.453,687 11.367,688 12.284,689 9.6,695 1,697 1,699 3,704 8,705 3,709 7,711 18,726 2,729 1,731 52,733 18,734 1,735 33,737 56,738 22,739 15,740 2,741 4,746 5,747 6,755 1,758 1,761 15,762 7,778 1,781 23,782 7,784 7,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 29,854 6,856 2,859 2,870 3.8,874 1,875 1,877 13.5,878 9.75,879 6.417,880 3.165,881 3.037,882 1.38,883 1.013,884 5.046,885 11.027,886 3.761,887 4.337,888 4.943,889 5.545,890 6.135,891 6.439,892 6.929,893 7.354,894 7.739,895 8.092,896 0.714,897 48,898 10.704,900 4.538,901 7.523,902 20.9,904 17.364,905 2.023,906 58.667,908 1,909 1,910 270.735,911 125.227,912 56.605,914 22,917 125.227,918 292.735,919 56.605,920 10.883,921 18.036,922 56.857,923 84.899,924 52.471,925 4.227,926 247.193,928 270.735,929 181.832,930 22,933 247.193,934 34.542,935 11,937 43.911,938 87.564,939 50.357,941 270.735,942 78.605,943 125.227,946 270.735,947 39.392,948 92.084,950 72.356,951 270.735,952 78.605,953 125.227,955 0.572,956 0.345,957 0.198,958 0.113,959 24,960 9,961 0.071,962 4,963 1,964 1.074,965 4.022,966 276.815,967 0.074,968 27,969 132.881,974 18.347,975 7.975,976 3.543,978 78.605,979 15.78,980 14.156,984 6.859,987 474.567,988 42,999 52.116,1000 58.647,1001 0.272,1002 0.623,1003 0.812,1004 0.876,1005 0.876,1006 0.876,1007 5.001,1008 1.389,1009 5.911,1010 4.591,1011 4.533,1012 5.024,1013 1.771,1014 6.746,1015 4.417,1016 6.177,1017 1.26,1018 7.474,1019 3.464,1020 4.007,1021 4.677,1022 0.57,1023 7.687,1024 3.841,1025 7.473,1026 1.126,1027 9.143,1028 2.9,1029 6.133,1030 7.168,1031 1.413,1032 10.846,1033 5.916,1034 8.807,1035 1,1036 10.878,1037 2.584,1038 6.509,1039 7.688,1040 0.479,1041 12.662,1042 6.243,1043 10.178,1044 1,1045 12.656,1046 2.511,1047 8.045,1048 9.616,1049 1.15,1050 15.324,1051 7.733,1052 11.575,1053 1,1054 14.463,1055 2.136,1056 8.838,1057 10.552,1058 0.346,1059 17.49,1060 8.48,1061 12.993,1062 0.638,1063 16.292,1064 2.136,1065 10.136,1066 12.228,1067 0.93,1068 19.992,1069 9.736,1070 3.289,1071 0.426,1072 18.137,1073 1.777,1074 11.127,1075 13.388,1076 0.237,1077 22.308,1078 10.683,1079 2.856,1080 11.622,1081 19.993,1082 0.621,1083 12.333,1084 14.941,1085 0.742,1086 24.761,1087 11.848,1088 2.751,1089 9.626,1090 21.859,1091 4.275,1092 13.418,1093 16.225,1094 0.158,1095 27.144,1096 12.89,1097 2.465,1098 8.917,1099 23.732,1100 3.687,1101 14.593,1102 17.719,1103 0.583,1104 29.584,1105 14.024,1106 2.156,1107 7.469,1108 25.612,1109 3.483,1110 15.723,1111 19.073,1112 0.104,1113 31.998,1114 15.111,1115 1.831,1116 6.448,1117 27.498,1118 3.092,1119 16.891,1120 20.538,1121 0.452,1122 34.437,1123 16.238,1124 1.664,1125 4.692,1126 29.388,1127 2.843,1128 18.043,1129 21.932,1130 0.068,1131 36.868,1132 17.349,1133 9451,1134 15005,1135 23.057,1136 34.79,1137 49.741,1138 50.416,1139 50.35,1140 49.685,1141 49.704,1142 62.98,1143 6.64,1144 142.986,1145 46.741,1146 5.596,1147 5.48,1148 6.706,1149 5.347,1150 5.289,1151 7.275,1152 1.72,1153 19.179,1154 5.147,1155 7.218,1156 1.507,1157 1.528,1158 1.526,1159 1.506,1160 1.506,1161 1.908,1162 0.201,1163 4.333,1164 1.416,1165 4.068,1166 4.109,1167 4.032,1168 3.956,1169 5.016,1170 3.968,1171 3.87,1172 3.904,1173 3.814,1174 3.772,1175 4.884,1176 3.778,1177 3.791,1178 3.841,1179 3.716,1180 3.631,1181 4.808,1182 3.645,1183 3.69,1184 3.739,1185 3.588,1186 3.512,1187 4.597,1188 3.523,1189 3.306,1190 3.373,1191 3.195,1192 3.084,1193 4.362,1194 3.1,1195 3.228,1196 3.297,1197 3.062,1198 2.958,1199 4.157,1200 2.969,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.886,1206 2.91,1207 2.942,1208 3,1209 2.855,1210 2.778,1211 3.685,1212 2.789,1213 0.139,1214 0.105,1215 0.209,1216 0.129,1217 0.1,1218 4.596,1219 0.13,1220 3.48,1221 0.026,1222 6.904,1223 0.352,1224 4.243,1225 0.095,1226 3.289,1227 4.275,1228 0.86,1229 11.622,1230 3.147,1231 1.944,1232 1.921,1233 2.026,1234 2.065,1235 1.212,1236 2.049,1237 1.83,1238 1.79,1239 1.941,1240 1.97,1241 1.164,1242 1.966,1243 1.733,1244 1.683,1245 1.916,1246 1.944,1247 1.066,1248 1.939,1249 1.592,1250 1.549,1251 1.772,1252 1.762,1253 0.955,1254 1.76,1255 1.376,1256 1.301,1257 1.584,1258 1.613,1259 0.825,1260 1.615,1261 1.192,1262 1.119,1263 1.545,1264 1.501,1265 0.683,1266 1.522,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.57,1272 1.429,1273 0.886,1274 0.827,1275 1.181,1276 1.166,1277 0.274,1278 1.145,1279 4.205,1281 5.525,1282 2.398,1283 7.06,1284 4.727,1285 8.689,1286 6.862,1287 10.369,1289 1.688,1295 4.758,1297 10.963,1300 4.461,1305 33.278,1306 80.664,1307 184.8,1308 240.648,1309 259.668,1310 259.668,1311 259.668,1312 33.686,1313 7.989,1314 63.61,1315 63.61,1316 29,1317 12.796,1318 4.248,1319 3.322,1320 39.15,1321 101,1322 103,1323 0.193,1324 200.452,1325 343.48,1326 480.864,1327 30299,1329 19.631,1330 0.677,1331 0.566,1332 19.631,1333 16.414,1334 14.331,1335 0.434,1336 0.3,1337 9.707,1338 13.644,1339 9.515,1340 7.808,1341 14.331,1342 9.889,1343 12.461,1344 0.271,1345 0.155,1346 12.461,1347 7.113,1348 11.211,1349 0.172,1350 0.083,1351 11.211,1352 5.426,1353 9.754,1354 0.108,1355 0.044,1356 9.754,1357 3.933,1358 8.289,1359 0.069,1360 0.022,1361 8.289,1362 2.697,1363 0.291,1364 90.529,1365 0.208,1366 26.859,1367 0.568,1368 158,1369 447.697,1370 174.636,1371 425.841,1372 599.95,1373 406,1374 190,1375 452.266,1376 207.916,1377 456.007,1378 675.02,1379 430,1380 6.387}
{0 CHEMBL2314585,1 1.551,2 9.241,3 3.807,4 14.494,5 112.52,6 7.49,7 0.545,8 4.075,9 4.192,10 3.662,11 3.595,12 5.149,13 3.59,14 4.629,15 4.807,16 4.033,17 4,18 5.647,19 3.977,20 4.848,21 5.049,22 4.097,23 4.144,24 5.831,25 4.093,26 4.893,27 5.112,28 4.052,29 4.154,30 5.885,31 4.086,32 4.902,33 5.133,34 4.082,35 4.164,36 5.868,37 4.092,38 4.86,39 5.069,40 4.099,41 4.168,42 5.808,43 4.112,44 4.926,45 5.127,46 4.073,47 4.219,48 5.902,49 4.135,50 5.026,51 5.264,52 3.928,53 4.22,54 5.896,55 4.085,56 0.029,57 0.806,58 10.65,59 4.521,60 8.775,61 5.935,62 0.298,63 1.328,64 21.042,65 7.479,66 22.307,67 10.072,68 0.315,69 1.582,70 27.093,71 9.325,72 28.826,73 13.081,74 0.393,75 1.657,76 28.875,77 9.574,78 42.843,79 13.587,80 0.402,81 1.649,82 29.526,83 10,84 42.875,85 14.663,86 0.269,87 1.637,88 27.145,89 9.259,90 24.193,91 13.205,92 0.447,93 1.669,94 29.174,95 10.647,96 36.508,97 14.843,98 0.276,99 1.7,100 33.947,101 13.338,102 37.225,103 18.573,104 5,105 47,106 0.258,107 0.61,108 0.781,109 0.829,110 0.829,111 0.829,112 3.409,113 0.902,114 -4.15,115 -4.09,116 -3.87,119 42.3,120 1,121 1,125 5,142 5,143 3,144 2,145 2,146 1,147 1,150 1,172 6,174 4,175 9,180 2,183 7,186 1,187 4,192 3,195 7,198 3,199 7,204 1,207 8,211 2,212 8,215 1,217 1,220 2,223 1,224 10,229 1,232 4,236 1,237 5,240 3,245 5,249 2,250 7,258 2,263 5,268 2,271 2,275 1269,276 20.068,277 20.068,278 20.068,279 20.068,280 20.068,281 17.901,282 24.786,283 11.86,284 20.648,285 16.319,286 16.319,287 16.319,288 16.319,289 16.319,290 13.047,291 35.601,292 5.667,293 17.272,294 4.149,295 2.026,296 0.998,297 0.707,298 0.707,299 0.707,300 4.122,304 1,305 1,306 595,307 2.236,310 58.865,311 311.789,314 107.263,318 1.301,319 23.481,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 268,332 4.6,333 3.481,334 6.905,335 4.246,336 3.291,337 4.284,338 0.86,339 11.623,340 3.151,341 4.226,342 3.094,343 6.344,344 3.859,345 2.893,346 3.833,347 0.8,348 9.647,349 2.791,350 4.031,351 3.038,352 6.107,353 3.705,354 2.782,355 3.527,356 0.8,357 8.933,358 2.579,359 3.841,360 2.796,361 5.896,362 3.546,363 2.585,364 3.13,366 8.056,367 2.459,368 3.595,369 2.311,370 5.519,371 3.192,372 2.218,373 2.962,375 6.915,376 2.159,377 3.065,378 2.293,379 4.752,380 2.734,381 1.832,382 2.257,384 4.75,385 1.649,386 2.968,387 1.816,388 4.52,389 2.621,390 1.668,391 2.025,393 4.649,394 1.585,395 2.823,396 1.682,397 4.144,398 2.385,399 1.414,400 1.956,402 3.542,403 1.365,404 2.788,405 1.64,406 4.036,407 2.293,408 1.358,409 1.912,411 3.448,412 1.266,413 2.5,414 1.391,415 3.735,416 2.138,417 1.232,418 1.5,420 2.879,421 1.111,422 2.338,423 1.256,424 3.491,425 1.984,426 1,427 1.327,428 2.511,429 0.983,430 2.214,431 1.145,432 3.44,433 1.952,434 1,435 1.169,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.922,442 1,443 1,445 2.136,446 0.916,447 1.872,448 0.892,449 3.247,450 1.63,451 0.682,452 0.791,454 1.882,455 0.644,456 1.378,457 0.415,458 2.835,459 1.068,460 0.108,461 0.131,463 0.241,464 0.103,465 13.667,466 0.471,467 0.64,468 0.022,469 39.75,470 1.371,471 19.5,472 0.672,473 20.25,474 0.698,475 23.999,476 0.828,477 30.733,478 0.591,479 29.226,480 1.008,481 7.713,482 0.266,483 6.491,484 0.224,485 0.061,487 0.351,493 0.924,494 1.463,495 0.766,496 1.135,497 0.889,498 0.962,499 1.107,500 0.979,501 0.879,502 0.867,503 0.727,504 0.841,505 1.081,506 1.184,507 0.973,508 0.998,509 0.902,510 0.971,511 1.058,512 1.017,513 1.076,514 0.969,515 1.299,516 1.005,517 0.708,518 1.051,519 0.874,520 0.919,521 0.726,522 0.911,523 0.953,524 1.105,525 1.004,526 1.006,527 0.741,528 0.992,529 0.868,530 1.06,531 1.133,532 1.137,533 0.971,534 1.165,535 0.732,536 1.052,537 1.059,538 1.26,539 0.827,540 1.226,541 4.5,542 0.119,543 3.556,544 1.535,545 1.405,546 1.261,547 0.856,548 0.465,549 0.275,550 0.206,551 10148,552 25205,553 2.193,554 44.2,555 3,556 15,558 2,559 1,561 2,564 1.729,565 2.096,566 3.192,567 -0.336,569 1,573 80.664,574 1.551,575 3.674,576 4.703,577 4.994,578 4.994,579 4.994,580 2.5,581 4.349,582 4.827,583 3.342,584 1356.8,585 8.462,586 17762.1,588 1,590 1,591 296.423,592 1.247,593 4.809,594 0.136,595 0.007,596 0.076,597 0.031,598 0.031,599 0.026,600 0.017,601 0.01,602 0.007,603 0.008,604 0.35,605 0.5,606 0.88,607 0.434,608 143.645,609 -0.051,610 -0.292,611 0.072,612 -0.095,613 -0.059,614 -0.013,615 -0.032,616 0.142,617 0.048,618 0.104,619 0.027,620 0.086,621 -0.09,622 -0.122,623 -0.029,624 -0.023,625 -0.026,626 -0.02,627 -0.115,628 0.058,629 -0.124,630 -0.018,631 -0.202,632 -0.063,633 0.094,634 -0.011,635 0.078,636 0.051,637 0.063,638 0.062,639 -0.11,640 -0.006,641 -0.076,642 -0.044,643 -0.023,644 -0.046,645 0.048,646 -0.008,647 -0.204,648 -0.147,649 -0.003,650 -0.201,651 0.04,652 -0.127,653 -0.103,654 -0.228,655 0.001,656 -0.195,657 1.383,658 4.27,659 0.931,660 26.25,661 1.002,662 1.128,663 2.916,664 8.504,665 0.669,666 3.526,667 3.871,668 4.205,669 4.511,670 4.812,671 4.977,672 5.22,673 5.416,674 5.561,675 5.68,676 5.81,677 0.64,678 389.5,679 3.526,680 5.081,681 5.958,682 6.853,683 7.751,684 8.657,685 9.566,686 10.479,687 11.394,688 12.312,689 9.6,695 1,697 1,699 3,704 7,705 3,709 8,711 18,726 2,728 1,731 52,733 18,734 1,735 33,737 56,738 22,739 15,740 3,741 3,746 5,747 6,752 1,755 1,758 1,761 15,762 7,778 1,781 23,782 7,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 29,853 1,854 6,856 1,859 2,870 3.8,872 1,874 1,877 13.833,878 9.7,879 6.278,880 3.208,881 3.029,882 1.379,883 1,884 4.82,885 11.019,886 3.761,887 4.363,888 4.965,889 5.553,890 6.152,891 6.468,892 6.943,893 7.38,894 7.766,895 8.129,896 0.714,897 49,898 10.729,900 4.622,901 7.598,902 20.842,904 17.536,905 2.098,906 60.833,908 1,909 1,910 258.964,911 111.635,912 56.605,914 53.683,917 111.635,918 312.647,919 56.605,920 8.825,921 18.036,922 47.381,923 127.582,924 39.414,925 4.227,926 235.422,928 258.964,929 168.24,930 53.683,933 235.422,934 66.226,935 11,937 52.737,938 65.147,939 50.357,941 258.964,942 110.288,943 111.635,946 258.964,947 37.334,948 80.55,950 104.04,951 258.964,952 110.288,953 111.635,955 0.583,956 0.349,957 0.191,958 0.11,959 25,960 10,961 0.054,962 3,963 1,964 1.074,965 3.996,966 278.138,967 0.074,968 27,969 130.127,974 18.347,975 7.619,976 3.432,978 110.288,979 13.369,980 14.047,984 6.773,986 42.683,987 480.888,988 42,999 52.116,1000 58.647,1001 0.272,1002 0.645,1003 0.825,1004 0.876,1005 0.876,1006 0.876,1007 5.014,1008 1.414,1009 5.943,1010 4.649,1011 4.554,1012 5.05,1013 1.481,1014 6.788,1015 4.449,1016 6.208,1017 1.358,1018 7.518,1019 3.542,1020 4.111,1021 4.796,1022 0.57,1023 7.743,1024 3.962,1025 7.515,1026 1.232,1027 9.198,1028 3.448,1029 6.172,1030 7.219,1031 1.104,1032 10.894,1033 5.974,1034 8.859,1035 1,1036 10.94,1037 2.879,1038 6.594,1039 7.802,1040 0.479,1041 12.704,1042 6.354,1043 10.239,1044 1,1045 12.722,1046 2.511,1047 8.098,1048 9.689,1049 0.854,1050 15.364,1051 7.812,1052 11.642,1053 1,1054 14.532,1055 2.136,1056 8.914,1057 10.667,1058 0.346,1059 17.52,1060 8.586,1061 13.065,1062 0.682,1063 16.361,1064 2.136,1065 10.197,1066 12.319,1067 0.661,1068 20.02,1069 9.826,1070 3.291,1071 0.108,1072 18.204,1073 1.882,1074 11.197,1075 13.503,1076 0.237,1077 22.329,1078 10.783,1079 2.893,1080 11.623,1081 20.058,1082 0.241,1083 12.395,1084 15.043,1085 0.505,1086 24.779,1087 11.939,1088 2.782,1089 9.647,1090 21.921,1091 4.284,1092 13.481,1093 16.34,1094 0.158,1095 27.157,1096 12.982,1097 2.585,1098 8.933,1099 23.792,1100 3.833,1101 14.651,1102 17.825,1103 0.382,1104 29.595,1105 14.111,1106 2.218,1107 8.056,1108 25.668,1109 3.527,1110 15.779,1111 19.185,1112 0.104,1113 32.007,1114 15.197,1115 1.832,1116 6.915,1117 27.55,1118 3.13,1119 16.943,1120 20.644,1121 0.285,1122 34.445,1123 16.32,1124 1.668,1125 4.75,1126 29.436,1127 2.962,1128 18.093,1129 22.041,1130 0.068,1131 36.874,1132 17.428,1133 9436,1134 14990,1135 22.77,1136 34.79,1137 50.296,1138 50.734,1139 51.006,1140 50.183,1141 50.129,1142 63.609,1143 4.92,1144 146.695,1145 47.415,1146 5.6,1147 5.481,1148 6.707,1149 5.349,1150 5.291,1151 7.284,1152 1.72,1153 19.182,1154 5.151,1155 9.953,1156 1.524,1157 1.537,1158 1.546,1159 1.521,1160 1.519,1161 1.928,1162 0.149,1163 4.445,1164 1.437,1165 4.071,1166 4.112,1167 4.036,1168 3.964,1169 6.469,1170 3.975,1171 3.883,1172 3.915,1173 3.827,1174 3.786,1175 4.999,1176 3.792,1177 3.796,1178 3.847,1179 3.725,1180 3.641,1181 4.873,1182 3.655,1183 3.694,1184 3.744,1185 3.591,1186 3.514,1187 4.61,1188 3.525,1189 3.31,1190 3.381,1191 3.2,1192 3.127,1193 4.559,1194 3.13,1195 3.141,1196 3.218,1197 3.006,1198 2.95,1199 4.16,1200 2.956,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.955,1206 2.91,1207 2.937,1208 2.973,1209 2.807,1210 2.746,1211 3.707,1212 2.749,1213 0.139,1214 0.105,1215 0.209,1216 0.129,1217 0.1,1218 4.6,1219 0.13,1220 3.481,1221 0.026,1222 6.905,1223 0.352,1224 4.246,1225 0.095,1226 3.291,1227 4.284,1228 0.86,1229 11.623,1230 3.151,1231 1.957,1232 1.935,1233 2.041,1234 2.069,1235 1.218,1236 2.056,1237 1.832,1238 1.792,1239 1.942,1240 1.974,1241 1.175,1242 1.97,1243 1.743,1244 1.693,1245 1.92,1246 1.949,1247 1.087,1248 1.944,1249 1.604,1250 1.559,1251 1.787,1252 1.773,1253 0.976,1254 1.774,1255 1.378,1256 1.302,1257 1.596,1258 1.613,1259 0.825,1260 1.617,1261 1.17,1262 1.096,1263 1.513,1264 1.38,1265 0.728,1266 1.429,1267 1.153,1268 1.064,1269 1.466,1270 1.376,1271 0.546,1272 1.423,1273 0.886,1274 0.839,1275 1.181,1276 1.166,1277 0.274,1278 1.145,1279 4.205,1281 5.541,1282 2.398,1283 7.086,1284 4.727,1285 8.722,1286 6.862,1287 10.406,1289 1.897,1294 10.27,1295 4.583,1297 5.5,1300 4.393,1305 33.278,1306 80.664,1307 191.049,1308 244.549,1309 259.668,1310 259.668,1311 259.668,1312 38.593,1313 7.99,1314 74.61,1315 74.61,1316 29,1317 12.823,1318 4.248,1319 3.322,1320 39.166,1321 101,1322 99,1323 0.193,1324 200.452,1325 343.48,1326 480.864,1327 30087,1329 19.794,1330 0.683,1331 0.565,1332 19.794,1333 16.376,1334 14.204,1335 0.43,1336 0.301,1337 9.761,1338 13.606,1339 9.552,1340 7.833,1341 14.204,1342 9.917,1343 12.788,1344 0.272,1345 0.157,1346 12.788,1347 7.382,1348 11.449,1349 0.173,1350 0.084,1351 11.449,1352 5.565,1353 9.64,1354 0.107,1355 0.044,1356 9.64,1357 3.919,1358 8.251,1359 0.068,1360 0.022,1361 8.251,1362 2.726,1363 0.291,1364 89.227,1365 0.21,1366 26.845,1367 0.569,1368 160,1369 440.111,1370 175.862,1371 424.516,1372 596.34,1373 402,1374 193,1375 451.751,1376 210.251,1377 456.027,1378 676.15,1379 431,1380 4.301}
{0 CHEMBL2314586,1 1.551,2 8.862,3 3.807,4 14.494,5 112.52,6 7.49,7 0.545,8 4.075,9 4.192,10 3.662,11 3.595,12 5.149,13 3.59,14 4.629,15 4.807,16 4.033,17 4,18 5.645,19 3.977,20 4.848,21 5.049,22 4.111,23 4.15,24 5.826,25 4.102,26 4.895,27 5.104,28 4.09,29 4.181,30 5.901,31 4.117,32 4.948,33 5.177,34 4.122,35 4.215,36 5.915,37 4.142,38 4.924,39 5.133,40 4.144,41 4.227,42 5.86,43 4.164,44 5.01,45 5.227,46 4.086,47 4.259,48 5.953,49 4.166,50 5.061,51 5.307,52 3.923,53 4.25,54 5.906,55 4.107,56 0.029,57 0.806,58 10.65,59 4.521,60 8.886,61 5.935,62 0.298,63 1.328,64 21.042,65 7.479,66 22.568,67 10.072,68 0.318,69 1.584,70 27.12,71 9.327,72 27.747,73 13.081,74 0.373,75 1.683,76 28.461,77 9.627,78 41.16,79 13.56,80 0.427,81 1.735,82 30.803,83 10.365,84 45.276,85 15.185,86 0.255,87 1.741,88 28.883,89 10.109,90 24.735,91 14.427,92 0.519,93 1.792,94 32.502,95 11.247,96 40.017,97 15.948,98 0.318,99 1.74,100 35.599,101 13.899,102 37.98,103 19.399,104 5,105 47,106 0.258,107 0.61,108 0.781,109 0.829,110 0.829,111 0.829,112 3.41,113 0.902,114 -4.15,115 -4.09,116 -3.87,119 42.3,120 1,121 1,125 5,142 5,143 3,144 2,145 2,146 1,147 1,150 1,172 6,174 4,175 9,180 2,183 7,186 1,187 4,192 3,195 7,198 3,199 8,204 1,207 9,211 2,212 8,215 1,217 1,220 3,223 1,224 12,229 1,232 3,236 1,237 5,240 3,245 4,249 2,250 4,258 4,263 6,268 2,271 2,275 1243,276 20.121,277 20.121,278 20.121,279 20.121,280 20.121,281 17.925,282 24.786,283 11.908,284 20.701,285 16.309,286 16.309,287 16.309,288 16.309,289 16.309,290 13.029,291 35.601,292 5.662,293 17.263,294 4.149,295 2.026,296 0.998,297 0.707,298 0.707,299 0.707,300 4.122,304 1,305 1,306 570,307 2.236,310 57.708,311 308.018,314 104.847,318 1.196,319 23.61,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 257,332 4.629,333 3.492,334 6.949,335 4.272,336 3.312,337 4.331,338 0.86,339 11.765,340 3.192,341 4.294,342 3.16,343 6.538,344 3.944,345 2.978,346 3.888,347 0.8,348 10.199,349 2.868,350 4.019,351 3.076,352 6.143,353 3.705,354 2.788,355 3.514,356 0.8,357 9.041,358 2.561,359 3.805,360 2.727,361 5.949,362 3.483,363 2.52,364 3.096,366 8.178,367 2.413,368 3.493,369 2.297,370 5.392,371 3.082,372 2.123,373 2.826,375 6.483,376 2.03,377 3.038,378 2.239,379 4.749,380 2.731,381 1.829,382 2.218,384 4.691,385 1.644,386 2.966,387 1.828,388 4.524,389 2.593,390 1.645,391 2.034,393 4.596,394 1.555,395 2.868,396 1.642,397 4.167,398 2.414,399 1.414,400 2.024,402 3.483,403 1.414,404 2.782,405 1.535,406 3.889,407 2.294,408 1.361,409 1.901,411 3.177,412 1.266,413 2.5,414 1.415,415 3.729,416 2.141,417 1.236,418 1.5,420 2.887,421 1.114,422 2.338,423 1.256,424 3.491,425 1.984,426 1,427 1.327,428 2.511,429 0.983,430 2.215,431 1.15,432 3.445,433 1.952,434 1,435 1.17,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.922,442 1,443 1,445 2.136,446 0.917,447 1.881,448 0.98,449 3.247,450 1.653,451 0.709,452 0.808,454 1.94,455 0.667,456 1.355,457 0.466,458 2.864,459 1.079,460 0.128,461 0.15,463 0.293,464 0.121,465 13.667,466 0.471,467 0.624,468 0.022,469 39.75,470 1.371,471 19.5,472 0.672,473 20.25,474 0.698,475 24.37,476 0.84,477 30.733,478 0.591,479 29.308,480 1.011,481 7.729,482 0.267,483 6.492,484 0.224,485 0.061,487 0.351,493 0.924,494 1.463,495 0.766,496 1.135,497 0.886,498 0.962,499 1.107,500 0.979,501 0.879,502 0.867,503 0.735,504 0.841,505 1.078,506 1.157,507 0.945,508 0.963,509 0.89,510 0.935,511 1.051,512 1.067,513 1.085,514 1.006,515 1.281,516 1.033,517 0.742,518 1.036,519 0.914,520 0.918,521 0.764,522 0.925,523 0.882,524 1.176,525 1.005,526 1.077,527 0.697,528 1.047,529 0.918,530 1.008,531 1.164,532 1.089,533 0.917,534 1.141,535 0.729,536 0.945,537 1.053,538 1.191,539 0.813,540 1.181,541 4,542 0.074,543 3.556,544 1.785,545 1.405,546 1.209,547 0.914,548 0.473,549 0.228,550 0.161,551 9948,552 24901,553 2.193,554 44.2,555 3,556 15,558 2,559 1,561 2,564 1.73,565 2.096,566 3.128,567 -0.336,569 1,573 80.664,574 1.551,575 3.674,576 4.703,577 4.994,578 4.994,579 4.994,580 2.435,581 4.323,582 4.828,583 3.286,584 1334.09,585 8.469,586 17420.5,588 1,590 1,591 296.423,592 1.247,593 4.809,594 0.121,595 0.006,596 0.076,597 0.036,598 0.029,599 0.024,600 0.018,601 0.01,602 0.006,603 0.006,604 0.332,605 0.5,606 0.88,607 0.434,608 143.087,609 -0.051,610 -0.292,611 0.072,612 -0.095,613 -0.056,614 -0.013,615 -0.032,616 0.142,617 0.048,618 0.104,619 0.019,620 0.086,621 -0.087,622 -0.094,623 -0.001,624 0.013,625 -0.018,626 0.017,627 -0.117,628 0.023,629 -0.145,630 -0.051,631 -0.194,632 -0.094,633 0.062,634 0.016,635 0.036,636 0.048,637 0.024,638 0.042,639 -0.081,640 -0.09,641 -0.081,642 -0.106,643 -0.011,644 -0.09,645 0.009,646 0.038,647 -0.216,648 -0.117,649 0.003,650 -0.183,651 0.028,652 -0.029,653 -0.092,654 -0.158,655 -0.001,656 -0.144,657 1.383,658 4.27,659 0.931,660 25.246,661 1.002,662 1.128,663 2.916,664 8.504,665 0.669,666 3.526,667 3.871,668 4.22,669 4.533,670 4.82,671 4.984,672 5.231,673 5.429,674 5.565,675 5.666,676 5.672,677 0.64,678 389.5,679 3.526,680 5.081,681 5.964,682 6.862,683 7.764,684 8.674,685 9.587,686 10.504,687 11.423,688 12.345,689 9.6,695 1,697 1,699 3,704 7,705 3,709 8,711 18,726 2,728 1,731 52,733 18,734 1,735 33,737 56,738 22,739 15,740 3,741 3,746 5,747 6,752 1,755 1,758 1,761 15,762 7,778 1,781 23,782 7,783 1,784 7,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 29,853 1,854 6,856 1,859 2,870 3.8,872 1,874 1,877 13.833,878 9.7,879 6.306,880 3.215,881 3.063,882 1.383,883 1,884 4.82,885 11.052,886 3.761,887 4.363,888 4.975,889 5.571,890 6.157,891 6.466,892 6.941,893 7.38,894 7.757,895 8.104,896 0.833,897 50,898 10.729,900 4.623,901 7.598,902 20.842,904 17.541,905 2.098,906 60.833,908 1,909 1,910 258.964,911 111.635,912 56.605,914 53.683,917 111.635,918 312.647,919 56.605,920 8.825,921 18.036,922 47.381,923 127.582,924 39.414,925 4.227,926 235.422,928 258.964,929 168.24,930 53.683,933 235.422,934 66.226,935 11,937 52.737,938 65.147,939 50.357,941 258.964,942 110.288,943 111.635,946 258.964,947 37.334,948 80.55,950 104.04,951 258.964,952 110.288,953 111.635,955 0.582,956 0.354,957 0.198,958 0.111,959 25,960 10,961 0.054,962 3,963 1,964 1.074,965 3.964,966 280.468,967 0.074,968 27,969 132.881,974 18.347,975 7.619,976 3.326,978 110.288,979 13.226,980 14.094,984 6.819,986 42.683,987 480.888,988 42,999 52.116,1000 58.647,1001 0.272,1002 0.645,1003 0.825,1004 0.876,1005 0.876,1006 0.876,1007 5.014,1008 1.414,1009 5.948,1010 4.596,1011 4.554,1012 5.05,1013 1.481,1014 6.806,1015 4.449,1016 6.208,1017 1.361,1018 7.531,1019 3.483,1020 4.111,1021 4.796,1022 0.57,1023 7.794,1024 3.962,1025 7.517,1026 1.236,1027 9.221,1028 3.177,1029 6.18,1030 7.225,1031 1.104,1032 10.961,1033 5.984,1034 8.865,1035 1,1036 10.976,1037 2.887,1038 6.621,1039 7.829,1040 0.479,1041 12.805,1042 6.389,1043 10.251,1044 1,1045 12.772,1046 2.511,1047 8.127,1048 9.715,1049 0.854,1050 15.482,1051 7.85,1052 11.662,1053 1,1054 14.595,1055 2.136,1056 8.965,1057 10.721,1058 0.346,1059 17.661,1060 8.655,1061 13.093,1062 0.709,1063 16.439,1064 2.136,1065 10.252,1066 12.373,1067 0.661,1068 20.177,1069 9.902,1070 3.312,1071 0.128,1072 18.296,1073 1.94,1074 11.271,1075 13.585,1076 0.237,1077 22.501,1078 10.888,1079 2.978,1080 11.765,1081 20.163,1082 0.293,1083 12.475,1084 15.127,1085 0.505,1086 24.964,1087 12.056,1088 2.788,1089 10.199,1090 22.039,1091 4.331,1092 13.576,1093 16.448,1094 0.158,1095 27.353,1096 13.123,1097 2.52,1098 9.041,1099 23.922,1100 3.888,1101 14.753,1102 17.939,1103 0.382,1104 29.802,1105 14.266,1106 2.123,1107 8.178,1108 25.81,1109 3.514,1110 15.892,1111 19.319,1112 0.104,1113 32.223,1114 15.372,1115 1.829,1116 6.483,1117 27.703,1118 3.096,1119 17.063,1120 20.787,1121 0.285,1122 34.67,1123 16.509,1124 1.645,1125 4.691,1126 29.6,1127 2.826,1128 18.222,1129 22.2,1130 0.068,1131 37.107,1132 17.634,1133 9253,1134 14755,1135 22.77,1136 34.79,1137 50.184,1138 50.759,1139 51.19,1140 50.136,1141 50.089,1142 63.576,1143 4.92,1144 147.033,1145 47.379,1146 5.629,1147 5.492,1148 6.751,1149 5.376,1150 5.312,1151 7.331,1152 1.72,1153 19.46,1154 5.192,1155 9.651,1156 1.521,1157 1.538,1158 1.551,1159 1.519,1160 1.518,1161 1.927,1162 0.149,1163 4.456,1164 1.436,1165 4.074,1166 4.114,1167 4.039,1168 3.969,1169 6.469,1170 3.979,1171 3.882,1172 3.915,1173 3.827,1174 3.783,1175 4.999,1176 3.791,1177 3.794,1178 3.845,1179 3.721,1180 3.635,1181 4.873,1182 3.649,1183 3.691,1184 3.74,1185 3.588,1186 3.512,1187 4.61,1188 3.523,1189 3.29,1190 3.36,1191 3.187,1192 3.077,1193 4.559,1194 3.092,1195 3.17,1196 3.257,1197 2.97,1198 3.02,1199 4.159,1200 2.998,1201 3.111,1202 3.206,1203 2.91,1204 2.941,1205 3.919,1206 2.91,1207 2.978,1208 3.018,1209 2.866,1210 2.784,1211 3.827,1212 2.808,1213 0.14,1214 0.106,1215 0.211,1216 0.129,1217 0.1,1218 4.629,1219 0.131,1220 3.492,1221 0.026,1222 6.949,1223 0.357,1224 4.272,1225 0.097,1226 3.312,1227 4.331,1228 0.86,1229 11.765,1230 3.192,1231 1.96,1232 1.939,1233 2.043,1234 2.071,1235 1.225,1236 2.058,1237 1.832,1238 1.791,1239 1.942,1240 1.974,1241 1.18,1242 1.97,1243 1.737,1244 1.687,1245 1.918,1246 1.948,1247 1.085,1248 1.943,1249 1.594,1250 1.55,1251 1.775,1252 1.761,1253 0.967,1254 1.761,1255 1.376,1256 1.301,1257 1.565,1258 1.613,1259 0.825,1260 1.614,1261 1.208,1262 1.128,1263 1.549,1264 1.418,1265 0.686,1266 1.469,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.601,1272 1.429,1273 0.886,1274 0.842,1275 1.181,1276 1.166,1277 0.274,1278 1.145,1279 4.205,1281 5.541,1282 2.398,1283 7.091,1284 4.727,1285 8.735,1286 6.862,1287 10.428,1289 1.934,1294 10.27,1295 4.583,1297 5.506,1300 4.402,1305 33.278,1306 80.664,1307 191.049,1308 244.549,1309 259.668,1310 259.668,1311 259.668,1312 38.846,1313 7.99,1314 74.61,1315 74.61,1316 29,1317 12.853,1318 4.248,1319 3.322,1320 39.123,1321 99,1322 99,1323 0.197,1324 200.452,1325 343.48,1326 480.864,1327 30087,1329 19.794,1330 0.683,1331 0.565,1332 19.794,1333 16.376,1334 14.22,1335 0.431,1336 0.301,1337 9.767,1338 13.623,1339 9.561,1340 7.836,1341 14.22,1342 9.923,1343 12.692,1344 0.27,1345 0.156,1346 12.692,1347 7.331,1348 11.525,1349 0.172,1350 0.084,1351 11.525,1352 5.643,1353 9.84,1354 0.107,1355 0.044,1356 9.84,1357 4.026,1358 8.245,1359 0.067,1360 0.022,1361 8.245,1362 2.742,1363 0.297,1364 89.328,1365 0.21,1366 26.733,1367 0.588,1368 160,1369 440.111,1370 175.862,1371 424.207,1372 596.84,1373 402,1374 194,1375 452.751,1376 211.251,1377 456.506,1378 678.37,1379 432,1380 4.301}
{0 CHEMBL2314587,1 1.527,2 8.821,3 2.842,4 8.075,5 110.485,6 7.49,7 0.563,8 4.039,9 4.166,10 3.63,11 3.559,12 5.104,13 3.554,14 4.588,15 4.767,16 3.99,17 3.963,18 5.599,19 3.938,20 4.81,21 5.026,22 4.031,23 4.099,24 5.746,25 4.039,26 4.822,27 5.053,28 4.014,29 4.104,30 5.765,31 4.036,32 4.836,33 5.057,34 4.057,35 4.135,36 5.807,37 4.067,38 4.856,39 5.077,40 4.056,41 4.154,42 5.771,43 4.088,44 4.893,45 5.107,46 4.005,47 4.19,48 5.811,49 4.091,50 5.002,51 5.263,52 3.821,53 4.165,54 5.823,55 4.015,56 0.019,57 0.808,58 10.245,59 4.113,60 8.681,61 5.586,62 0.278,63 1.304,64 20.053,65 6.974,66 22.292,67 9.531,68 0.296,69 1.551,70 26.305,71 8.701,72 26.987,73 12.597,74 0.312,75 1.592,76 26.738,77 8.724,78 31.279,79 12.867,80 0.319,81 1.607,82 26.815,83 9.125,84 36.695,85 13.413,86 0.27,87 1.647,88 27.287,89 8.99,90 25.723,91 13.145,92 0.304,93 1.668,94 27.97,95 10.388,96 28.445,97 14.763,98 0.301,99 1.659,100 33.921,101 12.501,102 35.994,103 18.006,104 2,105 45,106 0.255,107 0.609,108 0.767,109 0.83,110 0.83,111 0.83,112 3.376,113 0.897,114 -3.93,115 -3.88,116 -3.68,119 42,121 1,125 5,142 6,143 2,144 2,145 2,146 1,147 1,150 1,163 1,164 1,165 1,172 5,174 4,175 9,180 2,183 6,185 2,186 1,187 4,192 2,195 5,197 2,198 3,199 7,204 1,207 7,209 1,211 2,212 8,214 1,215 1,217 1,220 2,222 1,223 1,224 9,229 1,232 3,234 1,236 1,237 5,239 3,240 3,245 4,249 2,250 4,258 2,263 5,268 2,271 2,273 2,275 1138,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.453,282 24.852,283 11.727,284 20.135,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.667,291 36.255,292 5.627,293 16.789,294 4.117,295 2.001,296 1.06,297 0.68,298 0.68,299 0.68,300 4.092,304 1,305 1,306 551,307 2.121,310 55.839,311 296.886,314 101.464,318 1.204,319 19.4,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 247,332 4.596,333 3.48,334 6.904,335 4.243,336 3.289,337 4.275,338 0.86,339 11.621,340 3.147,341 4.143,342 3.089,343 6.334,344 3.805,345 2.852,346 3.675,347 0.8,348 9.617,349 2.729,350 3.973,351 2.914,352 6.101,353 3.671,354 2.744,355 3.475,356 0.8,357 8.913,358 2.528,359 3.775,360 2.549,361 5.609,362 3.401,363 2.425,364 3.089,366 7.324,367 2.36,368 3.478,369 2.297,370 5.068,371 3.072,372 2.106,373 2.812,375 5.971,376 2.031,377 3.037,378 2.183,379 4.64,380 2.731,381 1.829,382 2.217,384 4.679,385 1.645,386 2.966,387 1.782,388 4.503,389 2.593,390 1.64,391 2.025,393 4.475,394 1.56,395 2.808,396 1.639,397 4.115,398 2.312,399 1.367,400 1.943,402 3.447,403 1.29,404 2.602,405 1.4,406 3.722,407 2.182,408 1.252,409 1.648,411 2.886,412 1.164,413 2.5,414 1.256,415 3.491,416 2.08,417 1.121,418 1.5,420 2.56,421 1.068,422 2.336,423 1.193,424 3.481,425 1.984,426 1,427 1.324,428 2.511,429 0.983,430 2.212,431 1.132,432 3.419,433 1.952,434 1,435 1.168,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.921,442 1,443 1,445 2.136,446 0.915,447 1.848,448 0.8,449 3.247,450 1.583,451 0.636,452 0.754,454 1.774,455 0.6,456 1.016,457 -0.198,458 2.778,459 0.638,460 -0.316,461 -0.387,463 -0.804,464 -0.299,465 13.233,466 0.473,467 0.551,468 0.02,469 39.25,470 1.402,471 19.5,472 0.696,473 19.75,474 0.705,475 21.762,476 0.777,477 29.367,478 0.587,479 28.219,480 1.008,481 7.639,482 0.273,483 6.154,484 0.22,485 0.03,487 0.325,493 0.961,494 1.442,495 0.767,496 1.107,497 0.974,498 0.938,499 1.263,500 1.018,501 0.925,502 0.898,503 0.865,504 0.878,505 1.141,506 1.157,507 0.984,508 0.967,509 1.005,510 0.956,511 0.919,512 0.994,513 0.986,514 0.924,515 1.081,516 0.943,517 0.789,518 1.101,519 0.942,520 0.994,521 0.87,522 0.981,523 1.043,524 1.069,525 1.038,526 0.981,527 0.848,528 0.989,529 0.791,530 1.088,531 1.144,532 1.218,533 0.825,534 1.225,535 0.769,536 0.92,537 1.072,538 1.155,539 0.837,540 1.157,541 4,542 0.062,543 2.889,544 1.472,545 1.214,546 1.15,547 0.736,548 0.348,549 0.158,550 0.126,551 9305,552 22648,553 2.223,554 44,556 16,558 2,559 2,561 2,564 1.72,565 2.154,566 3.133,567 0.247,568 1,569 1,573 76.337,574 1.527,575 3.643,576 4.583,577 4.964,578 4.964,579 4.964,580 2.445,581 4.379,582 4.777,583 3.286,584 1241.93,585 8.362,586 15880.2,588 1,590 1,591 282.193,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.027,599 0.024,600 0.016,601 0.008,602 0.005,603 0.005,604 0.311,605 0.5,606 0.88,607 0.343,608 136.88,609 -0.052,610 -0.257,611 0.076,612 -0.087,613 -0.064,614 -0.002,615 -0.04,616 0.095,617 0.006,618 0.071,619 0.028,620 0.042,621 -0.101,622 -0.111,623 -0.03,624 0.003,625 -0.091,626 -0.005,627 -0.052,628 0.075,629 -0.037,630 0.028,631 -0.137,632 0.005,633 0.069,634 -0.045,635 -0.002,636 -0.021,637 0.034,638 -0.02,639 -0.145,640 0.006,641 -0.098,642 -0.021,643 -0.063,644 -0.043,645 0.026,646 -0.047,647 -0.221,648 -0.22,649 0.013,650 -0.25,651 0.02,652 -0.011,653 -0.094,654 -0.135,655 0.003,656 -0.128,657 0.929,658 2.053,659 0.964,660 24.429,661 1,662 1.13,663 2.697,664 7.276,665 0.672,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.934,672 5.182,673 5.371,674 5.505,675 5.602,676 5.635,677 0.641,678 374.49,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.431,687 11.345,688 12.263,689 12,693 1,695 1,697 1,699 3,704 8,705 3,709 7,711 18,722 1,726 2,731 50,733 18,734 1,735 32,737 54,738 21,739 15,740 2,741 4,746 5,747 6,755 1,758 1,761 15,762 6,778 1,781 22,782 7,783 2,784 7,790 6,794 0.8,795 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,849 1,854 6,856 1,859 2,870 2,874 1,877 13,878 8.917,879 6.083,880 3.04,881 3.003,882 1.38,883 1.037,884 4.589,885 10.914,886 3.738,887 4.324,888 4.922,889 5.527,890 6.115,891 6.412,892 6.896,893 7.325,894 7.705,895 8.042,896 0.833,897 46,898 10.333,900 4.431,901 7.542,902 20.159,904 16.96,905 2.042,906 57.167,909 1,910 235.422,911 111.857,912 89.502,914 11,917 111.857,918 246.422,919 89.502,921 18.036,922 89.755,923 84.899,924 38.985,925 4.227,926 211.88,928 235.422,929 201.36,930 11,933 211.88,934 23.542,935 11,937 43.911,938 107.092,939 50.357,941 235.422,942 100.502,943 111.857,946 235.422,947 36.905,948 81.201,950 94.254,951 235.422,952 100.502,953 111.857,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.056,962 3,963 1,964 1.074,965 3.947,966 264.889,967 0.074,968 27,969 126.606,974 17.413,975 7.38,976 3.333,978 100.502,979 15.599,980 14.092,984 6.723,986 32.897,987 447.781,988 41,999 50.007,1000 56.521,1001 0.271,1002 0.645,1003 0.812,1004 0.88,1005 0.88,1006 0.88,1007 4.98,1008 1.367,1009 5.889,1010 4.475,1011 4.511,1012 5.011,1013 1.481,1014 6.725,1015 4.406,1016 6.163,1017 1.252,1018 7.452,1019 3.447,1020 4.007,1021 4.677,1022 0.57,1023 7.662,1024 3.854,1025 7.459,1026 1.121,1027 9.121,1028 2.886,1029 6.111,1030 7.158,1031 1.104,1032 10.826,1033 5.91,1034 8.794,1035 1,1036 10.856,1037 2.56,1038 6.494,1039 7.677,1040 0.479,1041 12.643,1042 6.245,1043 10.165,1044 1,1045 12.635,1046 2.511,1047 8.025,1048 9.606,1049 0.854,1050 15.311,1051 7.731,1052 11.562,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.541,1058 0.346,1059 17.479,1060 8.481,1061 12.979,1062 0.636,1063 16.274,1064 2.136,1065 10.119,1066 12.218,1067 0.661,1068 19.984,1069 9.736,1070 3.289,1071 -0.316,1072 18.119,1073 1.774,1074 11.113,1075 13.377,1076 0.237,1077 22.302,1078 10.684,1079 2.852,1080 11.621,1081 19.977,1082 -0.804,1083 12.319,1084 14.932,1085 0.505,1086 24.756,1087 11.849,1088 2.744,1089 9.617,1090 21.845,1091 4.275,1092 13.406,1093 16.215,1094 0.158,1095 27.14,1096 12.891,1097 2.425,1098 8.913,1099 23.72,1100 3.675,1101 14.582,1102 17.71,1103 0.382,1104 29.58,1105 14.025,1106 2.106,1107 7.324,1108 25.602,1109 3.475,1110 15.713,1111 19.064,1112 0.104,1113 31.995,1114 15.113,1115 1.829,1116 5.971,1117 27.488,1118 3.089,1119 16.881,1120 20.529,1121 0.285,1122 34.435,1123 16.24,1124 1.64,1125 4.679,1126 29.38,1127 2.812,1128 18.035,1129 21.924,1130 0.068,1131 36.866,1132 17.351,1133 8602,1134 13536,1135 22.364,1136 33.58,1137 48.671,1138 48.873,1139 49.007,1140 48.551,1141 48.523,1142 61.808,1143 4.92,1144 140.097,1145 45.931,1146 5.596,1147 5.48,1148 6.706,1149 5.347,1150 5.289,1151 7.275,1152 1.72,1153 19.177,1154 5.147,1155 6.861,1156 1.521,1157 1.527,1158 1.531,1159 1.517,1160 1.516,1161 1.932,1162 0.154,1163 4.378,1164 1.435,1165 4.068,1166 4.111,1167 4.032,1168 3.957,1169 5.124,1170 3.969,1171 3.871,1172 3.911,1173 3.813,1174 3.775,1175 4.976,1176 3.78,1177 3.791,1178 3.845,1179 3.715,1180 3.633,1181 4.869,1182 3.646,1183 3.689,1184 3.741,1185 3.588,1186 3.512,1187 4.601,1188 3.523,1189 3.293,1190 3.365,1191 3.188,1192 3.08,1193 4.469,1194 3.095,1195 3.111,1196 3.206,1197 2.939,1198 2.941,1199 4.158,1200 2.91,1201 3.052,1202 3.15,1203 2.866,1204 2.83,1205 3.885,1206 2.846,1207 2.931,1208 2.994,1209 2.814,1210 2.772,1211 3.685,1212 2.773,1213 0.144,1214 0.109,1215 0.216,1216 0.133,1217 0.103,1218 4.596,1219 0.134,1220 3.48,1221 0.027,1222 6.904,1223 0.363,1224 4.243,1225 0.098,1226 3.289,1227 4.275,1228 0.86,1229 11.621,1230 3.147,1231 1.95,1232 1.922,1233 2.034,1234 2.067,1235 1.212,1236 2.054,1237 1.831,1238 1.79,1239 1.941,1240 1.972,1241 1.164,1242 1.968,1243 1.736,1244 1.683,1245 1.917,1246 1.946,1247 1.065,1248 1.941,1249 1.594,1250 1.549,1251 1.774,1252 1.762,1253 0.955,1254 1.763,1255 1.376,1256 1.301,1257 1.564,1258 1.613,1259 0.825,1260 1.615,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.681,1266 1.429,1267 0.995,1268 0.913,1269 1.277,1270 1.304,1271 0.274,1272 1.307,1273 0.886,1274 0.827,1275 1.181,1276 1.166,1277 0.218,1278 1.145,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1293 6.053,1295 4.75,1297 5.504,1300 4.445,1305 32.058,1306 76.337,1307 182.154,1308 229.173,1309 248.193,1310 248.193,1311 248.193,1312 32.881,1313 7.911,1314 80.4,1315 80.4,1316 29,1317 12.774,1318 4.248,1319 3.322,1320 37.222,1321 95,1322 93,1323 0.196,1324 193.658,1325 328.39,1326 464.286,1327 27438,1329 18.924,1330 0.676,1331 0.557,1332 18.924,1333 15.583,1334 13.793,1335 0.431,1336 0.299,1337 9.415,1338 13.226,1339 9.263,1340 7.585,1341 13.793,1342 9.565,1343 12.292,1344 0.273,1345 0.156,1346 12.292,1347 7.006,1348 10.787,1349 0.171,1350 0.083,1351 10.787,1352 5.243,1353 9.532,1354 0.108,1355 0.044,1356 9.532,1357 3.848,1358 8.051,1359 0.068,1360 0.022,1361 8.051,1362 2.623,1363 0.295,1364 86.475,1365 0.211,1366 26.048,1367 0.58,1368 154,1369 409.273,1370 168.785,1371 398.141,1372 563.67,1373 378,1374 185,1375 430.566,1376 201.091,1377 435.379,1378 645.23,1379 412,1380 5.432}
{0 CHEMBL2314588,1 1.619,2 9.333,3 3.193,4 10.193,5 112.543,6 7.911,7 0.529,8 4.066,9 4.173,10 3.692,11 3.586,12 5.196,13 3.595,14 4.611,15 4.773,16 4.062,17 3.988,18 5.774,19 3.978,20 4.835,21 5.035,22 4.113,23 4.13,24 5.865,25 4.089,26 4.857,27 5.062,28 4.104,29 4.138,30 5.925,31 4.093,32 4.878,33 5.085,34 4.141,35 4.169,36 5.931,37 4.121,38 4.892,39 5.096,40 4.143,41 4.19,42 5.931,43 4.14,44 4.924,45 5.119,46 4.124,47 4.228,48 5.909,49 4.159,50 5.047,51 5.274,52 4.043,53 4.212,54 6.093,55 4.102,56 0.073,57 0.79,58 9.404,59 4.353,60 10.282,61 5.352,62 0.445,63 1.303,64 19.122,65 7.147,66 44.274,67 9.074,68 0.415,69 1.559,70 25.758,71 9.138,72 35.412,73 12.345,74 0.474,75 1.614,76 26.373,77 9.015,78 49.186,79 12.116,80 0.434,81 1.635,82 26.872,83 9.557,84 44.58,85 13.18,86 0.492,87 1.671,88 27.02,89 9.454,90 45.002,91 12.893,92 0.341,93 1.68,94 27.201,95 10.729,96 28.291,97 14.392,98 0.705,99 1.7,100 34.529,101 13.116,102 69.065,103 17.856,104 6,105 48,106 0.269,107 0.623,108 0.769,109 0.831,110 0.838,111 0.838,112 3.442,113 0.878,114 -4.14,115 -4.08,116 -3.86,119 43.1,121 1,125 5,142 6,143 3,144 1,145 2,146 1,147 1,150 1,158 1,167 1,170 1,172 7,173 1,174 4,175 10,178 1,180 1,183 8,184 2,186 1,187 6,192 2,195 6,196 2,198 3,199 10,204 2,207 8,208 1,211 2,212 9,213 1,217 1,220 3,221 1,223 2,224 13,227 1,229 1,232 3,233 1,236 1,237 6,238 3,242 1,245 4,249 5,250 4,253 3,258 4,263 6,271 2,272 2,275 1438,276 20.775,277 20.775,278 20.775,279 20.775,280 20.775,281 18.569,282 23.967,283 12.37,284 21.327,285 16.836,286 16.836,287 16.836,288 16.836,289 16.836,290 13.431,291 35.406,292 5.899,293 17.724,294 4.053,295 1.922,296 1.04,297 0.667,298 0.627,299 0.627,300 4.154,304 1,305 1,306 618,307 2.739,310 61.015,311 324.38,314 111.1,318 1.356,319 30.294,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 65.5,331 280,332 4.598,333 3.581,334 6.905,335 4.245,336 3.29,337 4.279,338 1.437,339 11.623,340 3.152,341 4.211,342 3.476,343 6.343,344 3.86,345 2.885,346 3.77,347 0.86,348 9.653,349 2.814,350 4.033,351 3.088,352 6.107,353 3.71,354 2.781,355 3.52,356 0.8,357 8.939,358 2.601,359 3.854,360 2.888,361 5.924,362 3.57,363 2.6,364 3.138,365 0.8,366 8.204,367 2.477,368 3.633,369 2.434,370 5.531,371 3.227,372 2.247,373 2.992,375 6.967,376 2.198,377 3.166,378 2.296,379 4.767,380 2.747,381 1.837,382 2.388,384 4.817,385 1.684,386 2.978,387 2.01,388 4.523,389 2.688,390 1.732,391 2.073,393 4.661,394 1.63,395 2.908,396 1.712,397 4.155,398 2.415,399 1.461,400 2.022,402 3.529,403 1.388,404 2.644,405 1.633,406 3.839,407 2.213,408 1.279,409 1.688,411 3.037,412 1.19,413 2.529,414 1.359,415 3.632,416 2.09,417 1.151,418 1.5,420 2.755,421 1.073,422 2.5,423 1.256,424 3.491,425 2.005,426 1,427 1.475,428 2.511,429 0.994,430 2.336,431 1.171,432 3.44,433 1.984,434 1,435 1.323,436 2.323,437 0.983,438 2.212,439 1.13,440 3.419,441 1.952,442 1,443 1.167,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.921,451 1,452 1,454 2.136,455 0.915,456 1.848,457 0.799,458 3.247,459 1.581,460 0.634,461 0.753,463 1.766,464 0.599,465 14,466 0.467,467 0.64,468 0.021,469 41.5,470 1.383,471 20.5,472 0.683,473 21,474 0.7,475 23.848,476 0.795,477 31.6,478 0.62,479 31.969,480 1.066,481 8.205,482 0.274,483 6.498,484 0.217,485 0.048,487 0.343,493 0.841,494 1.444,495 0.715,496 1.115,497 0.701,498 0.931,499 0.913,500 0.982,501 0.881,502 0.879,503 0.487,504 0.868,505 0.917,506 1.15,507 0.926,508 0.964,509 0.651,510 0.943,511 0.962,512 0.989,513 1.026,514 0.926,515 0.99,516 0.959,517 0.765,518 1.131,519 0.918,520 0.991,521 0.719,522 0.972,523 0.827,524 1.02,525 1.008,526 0.957,527 0.635,528 0.988,529 0.744,530 1.175,531 1.049,532 1.22,533 0.635,534 1.188,535 0.669,536 0.912,537 1.024,538 1.164,539 0.885,540 1.176,541 4.5,542 0.12,543 3.333,544 1.597,545 1.294,546 1.33,547 0.777,548 0.408,549 0.31,550 0.206,551 11035,552 31213,553 2.186,554 41.2,556 16,558 2,559 1,561 2,564 1.738,565 2.093,566 3.22,567 -0.316,568 1,569 1,573 82.583,574 1.619,575 3.75,576 4.633,577 5.006,578 5.045,579 5.045,580 2.536,581 4.374,582 4.876,583 3.379,584 1469.99,585 8.562,586 19770,588 1,590 1,591 289.294,592 1.231,593 4.859,594 0.132,595 0.006,596 0.069,597 0.032,598 0.026,599 0.026,600 0.015,601 0.008,602 0.007,603 0.007,604 0.33,605 0.33,606 0.88,607 0.588,608 150.441,609 -0.069,610 -0.291,611 0.06,612 -0.096,613 -0.052,614 -0.015,615 0.043,616 0.139,617 -0.001,618 0.082,619 0.165,620 0.038,621 -0.081,622 -0.101,623 -0.001,624 0.009,625 0.005,626 0.017,627 -0.119,628 0.094,629 -0.099,630 0.02,631 -0.128,632 -0.022,633 -0.006,634 -0.074,635 0.003,636 -0.021,637 -0.017,638 -0.007,639 -0.047,640 0.062,641 -0.094,643 0.027,644 -0.04,645 -0.031,646 -0.14,647 -0.152,648 -0.219,649 -0.004,650 -0.205,651 0.215,652 0.006,653 -0.035,654 -0.146,655 0.069,656 -0.146,657 2.616,658 4.501,659 0.9,660 27.738,661 1.011,662 1.126,663 2.906,664 8.444,665 0.676,666 3.555,667 3.892,668 4.22,669 4.533,670 4.828,671 4.99,672 5.247,673 5.434,674 5.583,675 5.714,676 5.963,677 0.656,678 403.48,679 3.555,680 5.106,681 5.979,682 6.872,683 7.768,684 8.672,685 9.579,686 10.491,687 11.405,688 12.321,689 9.8,695 1,697 1,699 3,704 8,705 3,709 7,711 18,720 1,726 2,731 51,733 19,734 1,735 34,737 55,738 22,739 15,740 2,741 4,742 1,746 5,747 6,755 1,758 1,761 16,762 6,766 1,771 1,775 1,778 1,781 21,782 8,783 1,784 8,790 5,794 0.8,795 3,805 1,806 1,811 1,812 4,815 1,838 1,839 1,840 4,848 30,853 1,854 6,856 1,859 2,870 5.9,872 1,873 1,874 1,877 14.333,878 9.2,879 6.528,880 3.111,881 3.157,882 1.392,883 0.999,884 5.072,885 11.22,886 3.807,887 4.388,888 4.985,889 5.579,890 6.173,891 6.491,892 6.993,893 7.408,894 7.804,895 8.184,896 0.714,897 50,898 11.101,900 4.824,901 7.761,902 21.22,904 17.781,905 2.261,906 67.833,909 1,910 235.422,911 113.196,912 56.605,914 78.828,917 113.196,918 314.25,919 56.605,921 18.036,922 56.857,923 153.637,924 39.414,925 4.227,926 211.88,928 235.422,929 169.801,930 78.828,933 211.88,934 91.37,935 11,937 43.911,938 75.533,939 50.357,941 235.422,942 135.433,943 113.196,946 235.422,947 38.244,948 81.201,950 129.185,951 235.422,952 135.433,953 113.196,955 0.58,956 0.344,957 0.192,958 0.11,959 25,960 10,961 0.073,962 4,963 1,964 1.074,965 4.068,966 290.172,967 0.074,968 27,969 139.207,974 18.981,975 8.017,976 3.658,978 135.433,979 14.434,980 13.939,984 5.409,986 42.683,987 484.051,988 44,993 11.501,997 -0.95,999 51.56,1000 57.441,1001 0.285,1002 0.661,1003 0.817,1004 0.882,1005 0.889,1006 0.889,1007 5.053,1008 1.461,1009 5.958,1010 4.661,1011 4.575,1012 5.075,1013 2.143,1014 6.799,1015 4.48,1016 6.242,1017 1.279,1018 7.529,1019 3.529,1020 4.111,1021 4.783,1022 0.57,1023 7.753,1024 3.98,1025 7.543,1026 1.151,1027 9.205,1028 3.037,1029 6.184,1030 7.222,1031 2.445,1032 10.902,1033 6.005,1034 8.881,1035 1,1036 10.945,1037 2.755,1038 6.594,1039 7.778,1040 0.479,1041 12.717,1042 6.38,1043 10.256,1044 1,1045 12.727,1046 2.511,1047 8.106,1048 9.676,1049 2.993,1050 15.372,1051 7.846,1052 11.655,1053 1,1054 14.537,1055 2.323,1056 8.914,1057 10.634,1058 0.346,1059 17.531,1060 8.616,1061 13.074,1062 1,1063 16.366,1064 2.136,1065 10.2,1066 12.292,1067 3.644,1068 20.027,1069 9.86,1070 3.29,1071 0.634,1072 18.21,1073 2.136,1074 11.195,1075 13.463,1076 0.237,1077 22.337,1078 10.815,1079 2.885,1080 11.623,1081 20.064,1082 1.766,1083 12.394,1084 15.005,1085 4.338,1086 24.784,1087 11.972,1088 2.781,1089 9.653,1090 21.927,1091 4.279,1092 13.478,1093 16.294,1094 0.158,1095 27.162,1096 13.015,1097 2.6,1098 8.939,1099 23.797,1100 3.77,1101 14.648,1102 17.781,1103 5.05,1104 29.599,1105 14.143,1106 2.247,1107 8.204,1108 25.674,1109 3.52,1110 15.774,1111 19.136,1112 0.104,1113 32.011,1114 15.228,1115 1.837,1116 6.967,1117 27.555,1118 3.138,1119 16.938,1120 20.596,1121 5.77,1122 34.448,1123 16.35,1124 1.732,1125 4.817,1126 29.441,1127 2.992,1128 18.087,1129 21.99,1130 0.068,1131 36.877,1132 17.457,1133 10308,1134 17460,1135 23.463,1136 34.483,1137 52.073,1138 52.949,1139 52.432,1140 51.829,1141 51.794,1142 66.179,1143 7.793,1144 150.114,1145 49.288,1146 5.598,1147 5.581,1148 6.707,1149 5.349,1150 5.29,1151 7.279,1152 2.873,1153 19.183,1154 5.152,1155 10.276,1156 1.532,1157 1.557,1158 1.542,1159 1.524,1160 1.523,1161 1.946,1162 0.229,1163 4.415,1164 1.45,1165 4.072,1166 4.112,1167 4.036,1168 3.965,1169 7.475,1170 3.976,1171 3.883,1172 3.914,1173 3.831,1174 3.785,1175 6.351,1176 3.793,1177 3.796,1178 3.846,1179 3.727,1180 3.64,1181 5.004,1182 3.654,1183 3.694,1184 3.742,1185 3.592,1186 3.513,1187 4.875,1188 3.524,1189 3.325,1190 3.373,1191 3.257,1192 3.107,1193 4.65,1194 3.131,1195 3.237,1196 3.247,1197 3.154,1198 2.986,1199 4.587,1200 3.022,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.159,1206 2.91,1207 2.939,1208 2.997,1209 2.857,1210 2.777,1211 3.894,1212 2.787,1213 0.135,1214 0.105,1215 0.203,1216 0.125,1217 0.097,1218 4.598,1219 0.126,1220 3.581,1221 0.042,1222 6.905,1223 0.342,1224 4.245,1225 0.093,1226 3.29,1227 4.279,1228 1.437,1229 11.623,1230 3.152,1231 1.957,1232 1.936,1233 2.036,1234 2.068,1235 1.215,1236 2.053,1237 1.832,1238 1.792,1239 1.941,1240 1.973,1241 1.169,1242 1.968,1243 1.74,1244 1.691,1245 1.917,1246 1.947,1247 1.074,1248 1.941,1249 1.599,1250 1.556,1251 1.774,1252 1.766,1253 0.962,1254 1.763,1255 1.376,1256 1.301,1257 1.564,1258 1.613,1259 0.825,1260 1.615,1261 1.153,1262 1.108,1263 1.513,1264 1.412,1265 0.685,1266 1.429,1267 1.109,1268 1.064,1269 1.245,1270 1.376,1271 0.274,1272 1.345,1273 0.886,1274 0.827,1275 1.181,1276 1.166,1277 0.228,1278 1.145,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.727,1285 8.732,1286 6.862,1287 10.411,1294 9.43,1295 4.294,1297 5.481,1300 4.296,1305 33.466,1306 82.583,1307 191.255,1308 236.274,1309 255.294,1310 257.294,1311 257.294,1312 44.151,1313 8.062,1314 91.68,1315 91.68,1316 29,1317 12.833,1318 4.322,1319 3.459,1320 41.126,1321 106,1322 106,1323 0.19,1324 201.521,1325 349.63,1326 483.472,1327 33162,1329 20.501,1330 0.683,1331 0.545,1332 20.501,1333 16.361,1334 14.704,1335 0.432,1336 0.293,1337 9.785,1338 14.032,1339 9.644,1340 7.878,1341 14.704,1342 9.954,1343 13.191,1344 0.275,1345 0.151,1346 13.191,1347 7.267,1348 11.508,1349 0.172,1350 0.082,1351 11.508,1352 5.466,1353 9.923,1354 0.108,1355 0.043,1356 9.923,1357 3.962,1358 8.463,1359 0.068,1360 0.022,1361 8.463,1362 2.717,1363 0.288,1364 92.805,1365 0.206,1366 27.63,1367 0.56,1368 164,1369 495.846,1370 182.186,1371 473.748,1372 653.47,1373 446,1374 197,1375 484.388,1376 215.58,1377 486.989,1378 721.72,1379 460,1380 4.301}
{0 CHEMBL2316958,1 1.628,2 15.976,3 3.928,4 15.432,5 161.627,6 7.55,7 0.435,8 4.435,9 4.557,10 4.052,11 3.971,12 5.466,13 3.938,14 5.019,15 5.209,16 4.438,17 4.388,18 5.995,19 4.332,20 5.245,21 5.448,22 4.491,23 4.529,24 6.21,25 4.442,26 5.334,27 5.57,28 4.497,29 4.558,30 6.298,31 4.45,32 5.306,33 5.528,34 4.502,35 4.565,36 6.366,37 4.441,38 5.267,39 5.487,40 4.475,41 4.57,42 6.143,43 4.45,44 5.268,45 5.482,46 4.474,47 4.531,48 6.242,49 4.433,50 5.293,51 5.515,52 4.436,53 4.508,54 6.243,55 4.401,56 0.045,57 1.194,58 16.326,59 7.06,60 8.977,61 9.218,62 0.407,63 1.967,64 33.938,65 11.732,66 30.497,67 15.718,68 0.57,69 2.352,70 47.104,71 14.849,72 50.925,73 20.356,74 0.472,75 2.442,76 49.86,77 17.211,78 68.611,79 23.496,80 0.924,81 2.435,82 55.763,83 17.926,84 113.11,85 22.707,86 0.432,87 2.406,88 52.497,89 17.607,90 38.832,91 23.013,92 0.471,93 2.339,94 45.603,95 16.095,96 58.733,97 21.611,98 0.704,99 2.377,100 50.453,101 15.347,102 73.391,103 20.86,104 23,105 65,106 0.248,107 0.581,108 0.763,109 0.826,110 0.826,111 0.826,112 3.741,113 0.978,114 -3.68,115 -3.65,116 -3.48,119 39.5,120 2,121 2,125 9,135 1,136 1,142 4,143 2,145 1,146 1,147 1,149 1,152 3,156 1,158 1,168 1,172 8,174 3,175 8,180 2,183 9,186 2,187 15,192 2,195 4,198 1,199 9,204 1,207 4,211 7,212 7,215 2,220 5,223 2,224 7,232 3,236 2,237 9,240 1,242 1,245 2,249 2,250 8,255 1,258 3,262 3,263 3,271 2,275 3679,276 27.963,277 27.963,278 27.963,279 27.963,280 27.963,281 25.194,282 30.627,283 16.538,284 28.726,285 22.779,286 22.779,287 22.779,288 22.779,289 22.779,290 18.395,291 40.253,292 7.925,293 24.012,294 4.62,295 2.442,296 1.244,297 0.836,298 0.836,299 0.836,300 4.456,305 1,306 1451,307 4.301,310 193.977,311 504.146,314 358.922,318 2.516,319 39.201,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 88.5,331 655,332 4.67,333 3.729,334 6.793,335 4.197,336 3.253,337 4.618,338 1.94,339 11.247,340 3.106,341 4.507,342 3.501,343 6.634,344 4.021,345 3.06,346 4.443,347 1.277,348 10.64,349 2.899,350 3.987,351 3.345,352 6.032,353 3.788,354 2.834,355 3.382,356 0.916,357 8.61,358 2.715,359 3.901,360 3.098,361 5.866,362 3.572,363 2.642,364 3.232,365 0.86,366 8.267,367 2.537,368 3.864,369 3.003,370 5.747,371 3.502,372 2.492,373 3.122,374 0.8,375 7.77,376 2.422,377 3.773,378 2.738,379 5.451,380 3.391,381 2.444,382 3.086,383 0.68,384 7.157,385 2.307,386 3.509,387 2.522,388 5.202,389 3.278,390 2.334,391 2.683,392 0.555,393 6.54,394 2.194,395 3.229,396 2.453,397 4.921,398 2.904,399 1.933,400 2.352,401 0.172,402 5.606,403 1.898,404 3.166,405 2.3,406 4.706,407 2.828,408 1.852,409 2.321,411 4.824,412 1.766,413 3.048,414 2.19,415 4.602,416 2.634,417 1.723,418 2.269,420 4.499,421 1.557,422 3.018,423 1.939,424 4.36,425 2.536,426 1.549,427 2.138,428 4.409,429 1.529,430 2.932,431 1.551,432 4.085,433 2.431,434 1.48,435 2.074,436 3.589,437 1.399,438 2.564,439 1.547,440 4.055,441 2.328,442 1.356,443 1.52,445 3.547,446 1.301,447 2.5,448 1.477,449 3.766,450 2.101,451 1.241,452 1.5,454 2.961,455 1.055,456 2.398,457 1.304,458 3.427,459 1.97,460 1,461 1.386,463 2.275,464 0.968,465 19.633,466 0.479,467 0.989,468 0.024,469 48.75,470 1.189,471 21,472 0.512,473 27.75,474 0.677,475 44.368,476 1.082,477 44.567,478 0.586,479 39.459,480 0.962,481 9.391,482 0.229,483 10.55,484 0.257,485 0.085,487 0.341,493 0.731,494 1.41,495 0.754,496 1.092,497 0.539,498 0.999,499 1.06,500 1.032,501 0.858,502 0.834,503 0.621,504 0.84,505 1.123,506 1.17,507 1.114,508 1.122,509 1.08,510 1.054,511 0.98,512 1.083,513 0.857,514 0.932,515 1.202,516 0.938,517 1,518 0.903,519 1.327,520 1.089,521 1.245,522 0.97,523 0.747,524 1.122,525 1.254,526 1.273,527 0.631,528 1.066,529 1.002,530 1.128,531 0.967,532 1.051,533 1.087,534 1.049,535 1.27,536 1.068,537 1.161,538 1.055,539 1.321,540 1.06,541 8,542 0.244,543 4.222,544 2.694,545 1.701,546 1.497,547 1.02,548 0.646,549 0.46,550 0.268,551 30808,552 77585,553 2.147,554 46.1,555 6,556 23,558 1,559 1,560 4,564 1.805,565 2.033,566 3.889,567 -0.352,573 123.704,574 1.628,575 3.805,576 5.004,577 5.412,578 5.412,579 5.412,580 3.364,581 5.016,582 5.322,583 4.142,584 3396.23,585 9.399,586 61414.9,591 474.842,592 1.325,593 5.3,594 0.174,595 0.006,596 0.065,597 0.041,598 0.026,599 0.023,600 0.016,601 0.01,602 0.008,603 0.005,604 0.375,605 0.33,606 0.75,607 1.242,608 235.341,609 0.018,610 -0.197,611 0.084,612 -0.053,613 0.008,614 -0.01,615 -0.06,616 0.098,617 0.087,618 0.15,619 0.024,620 0.114,621 -0.097,622 -0.096,623 -0.08,624 -0.085,625 -0.101,626 -0.078,627 -0.043,628 -0.093,629 0.109,630 0.053,631 -0.038,632 0.054,633 0.079,634 0.159,635 -0.075,636 0.062,637 0.052,638 0.028,639 0.001,640 -0.05,641 -0.066,642 -0.108,643 -0.022,644 -0.034,645 -0.026,646 -0.095,647 -0.007,648 -0.055,649 -0.061,650 -0.067,651 -0.158,652 -0.017,653 -0.112,654 -0.049,655 -0.166,656 -0.099,657 1.647,658 5.674,659 0.732,660 59.797,661 1.002,662 1.13,663 2.453,664 6.019,665 0.667,666 3.85,667 4.19,668 4.477,669 4.787,670 5.024,671 5.187,672 5.438,673 5.642,674 5.793,675 5.984,676 9.352,677 0.63,678 573.79,679 3.85,680 5.407,681 6.267,682 7.157,683 8.036,684 8.934,685 9.825,686 10.728,687 11.626,688 12.534,689 9.2,692 1,695 1,696 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 76,733 23,734 1,735 46,737 81,738 30,739 13,740 3,741 3,742 3,746 6,747 8,752 2,758 2,761 17,762 13,766 3,771 2,773 1,775 3,781 35,782 9,783 1,784 11,785 1,790 7,794 0.667,795 3,803 1,806 1,811 2,812 4,815 2,824 1,827 1,831 1,832 1,836 1,839 1,840 4,842 1,844 2,848 41,854 11,856 1,859 3,865 1,870 3.9,873 2,874 1,877 20.167,878 14.367,879 8.861,880 4.756,881 4.042,882 1.447,883 1.006,884 8.542,885 13.085,886 4.094,887 4.696,888 5.295,889 5.936,890 6.46,891 6.928,892 7.48,893 7.998,894 8.356,895 8.83,896 1,897 65,898 15.258,900 6.555,901 7.638,902 29.674,904 24.952,905 2.138,906 87.667,910 400.217,911 164.181,912 76.27,914 61.29,916 31.278,917 132.903,918 461.507,919 76.27,920 17.65,921 32.118,922 47.381,923 133.133,924 45.375,925 6.576,926 419.724,928 400.217,929 209.173,930 61.29,931 31.278,933 402.545,934 50.29,935 11,937 80.747,938 66.388,939 59.71,940 31.278,941 400.217,942 137.56,943 164.181,946 400.217,947 90.102,948 83.452,949 16.663,950 111.524,951 400.217,952 137.56,953 164.181,955 0.582,956 0.333,957 0.186,958 0.097,959 32,960 14,961 0.099,962 8,963 2,964 1.133,965 5.104,966 423.265,967 0.133,968 30,969 206.905,970 1,974 28.11,975 12.458,976 6.414,977 4.012,978 120.897,979 10.081,980 14.354,981 3.045,983 1.752,984 3.854,986 16.663,987 701.958,988 59,993 24.638,995 1.617,997 1.047,999 76.141,1000 85.849,1001 0.261,1002 0.609,1003 0.801,1004 0.866,1005 0.866,1006 0.866,1007 5.352,1008 1.933,1009 6.252,1010 6.54,1011 4.875,1012 5.384,1013 2.761,1014 7.071,1015 4.776,1016 6.552,1017 1.852,1018 7.81,1019 5.606,1020 4.443,1021 5.247,1022 1.803,1023 7.966,1024 4.314,1025 7.862,1026 1.723,1027 9.467,1028 4.824,1029 6.472,1030 7.604,1031 3.322,1032 11.091,1033 6.281,1034 9.208,1035 1.549,1036 11.184,1037 4.499,1038 6.868,1039 8.353,1040 3.164,1041 12.845,1042 6.64,1043 10.589,1044 1.48,1045 12.941,1046 4.409,1047 8.355,1048 10.19,1049 4.29,1050 15.483,1051 8.072,1052 11.996,1053 1.356,1054 14.727,1055 3.589,1056 9.139,1057 11.356,1058 4.546,1059 17.6,1060 8.813,1061 13.423,1062 1.241,1063 16.533,1064 3.547,1065 10.409,1066 12.993,1067 5.451,1068 20.074,1069 10.032,1070 3.253,1071 1,1072 18.356,1073 2.961,1074 11.381,1075 14.354,1076 5.913,1077 22.349,1078 10.957,1079 3.06,1080 11.247,1081 20.192,1082 2.275,1083 12.565,1084 15.915,1085 6.7,1086 24.769,1087 12.093,1088 2.834,1089 10.64,1090 22.038,1091 4.618,1092 13.627,1093 17.362,1094 7.263,1095 27.113,1096 13.107,1097 2.642,1098 8.61,1099 23.893,1100 4.443,1101 14.781,1102 18.894,1103 7.989,1104 29.517,1105 14.213,1106 2.492,1107 8.267,1108 25.755,1109 3.382,1110 15.888,1111 20.38,1112 8.603,1113 31.892,1114 15.271,1115 2.444,1116 7.77,1117 27.623,1118 3.232,1119 17.035,1120 21.901,1121 9.298,1122 34.293,1123 16.37,1124 2.334,1125 7.157,1126 29.497,1127 3.122,1128 18.165,1129 23.403,1130 9.936,1131 36.683,1132 17.452,1133 28706,1134 45726,1135 31.323,1136 50.711,1137 70.047,1138 71.091,1139 70.638,1140 69.316,1141 69.338,1142 88.158,1143 14.404,1144 200.312,1145 65.895,1146 5.67,1147 5.729,1148 6.595,1149 5.338,1150 5.253,1151 7.618,1152 3.348,1153 18.517,1154 5.106,1155 18.799,1156 1.523,1157 1.545,1158 1.536,1159 1.507,1160 1.507,1161 1.916,1162 0.313,1163 4.355,1164 1.432,1165 4.154,1166 4.187,1167 4.341,1168 4.092,1169 7.432,1170 4.073,1171 4.011,1172 4.043,1173 4.056,1174 3.956,1175 7.423,1176 3.934,1177 3.872,1178 3.927,1179 3.788,1180 3.713,1181 5.13,1182 3.719,1183 3.769,1184 3.816,1185 3.677,1186 3.607,1187 4.975,1188 3.616,1189 3.717,1190 3.766,1191 3.636,1192 3.523,1193 4.612,1194 3.531,1195 3.534,1196 3.592,1197 3.445,1198 3.368,1199 4.43,1200 3.367,1201 3.399,1202 3.462,1203 3.373,1204 3.223,1205 4.39,1206 3.236,1207 3.289,1208 3.353,1209 3.202,1210 3.126,1211 4.339,1212 3.13,1213 0.102,1214 0.081,1215 0.148,1216 0.091,1217 0.071,1218 4.67,1219 0.1,1220 3.729,1221 0.042,1222 6.793,1223 0.244,1224 4.197,1225 0.068,1226 3.253,1227 4.618,1228 1.94,1229 11.247,1230 3.106,1231 1.975,1232 1.952,1233 2.038,1234 2.077,1235 1.313,1236 2.065,1237 1.819,1238 1.768,1239 2,1240 2.031,1241 1.224,1242 2.026,1243 1.791,1244 1.757,1245 1.946,1246 1.964,1247 1.168,1248 1.959,1249 1.752,1250 1.704,1251 1.928,1252 1.905,1253 1.14,1254 1.92,1255 1.605,1256 1.558,1257 1.785,1258 1.794,1259 0.975,1260 1.78,1261 1.544,1262 1.505,1263 1.726,1264 1.725,1265 0.909,1266 1.743,1267 1.436,1268 1.397,1269 1.544,1270 1.621,1271 0.86,1272 1.6,1273 1.307,1274 1.232,1275 1.513,1276 1.552,1277 0.825,1278 1.568,1279 4.533,1281 5.866,1282 3.045,1283 7.385,1284 5.352,1285 8.991,1286 7.424,1287 10.649,1289 3.79,1295 7.274,1297 5.621,1300 6.583,1305 47.856,1306 123.704,1307 289.217,1308 380.313,1309 411.333,1310 411.333,1311 411.333,1312 73.902,1313 9.044,1314 107.55,1315 135.79,1316 34,1317 13.053,1318 4.585,1319 3.807,1320 59.625,1321 229,1322 270,1323 0.125,1324 292.659,1325 502.64,1326 705.847,1327 122798,1329 28.346,1330 0.691,1331 0.595,1332 28.7,1333 24.375,1334 19.941,1335 0.433,1336 0.326,1337 14.033,1338 18.651,1339 13.605,1340 11.17,1341 20.349,1342 14.995,1343 18.31,1344 0.282,1345 0.185,1346 18.952,1347 12.016,1348 15.17,1349 0.174,1350 0.1,1351 15.957,1352 8.685,1353 13.301,1354 0.112,1355 0.056,1356 14.238,1357 6.628,1358 10.554,1359 0.07,1360 0.031,1361 11.447,1362 4.624,1363 0.201,1364 129.414,1365 0.179,1366 37.008,1367 0.33,1368 222,1369 628.271,1370 269.057,1371 622.069,1372 854.15,1373 586,1374 263,1375 611.131,1376 310.711,1377 632.192,1378 931.83,1379 595,1380 8.084}
{0 CHEMBL2321882,1 1.706,2 10.2,3 4.491,4 20.165,5 112.062,6 7.769,7 0.485,8 4.106,9 4.234,10 3.701,11 3.569,12 5.203,13 3.577,14 4.7,15 4.89,16 4.155,17 3.961,18 6.175,19 3.965,20 4.849,21 5.047,22 4.181,23 4.133,24 5.946,25 4.107,26 4.999,27 5.214,28 4.2,29 4.208,30 6.153,31 4.16,32 5.095,33 5.351,34 4.153,35 4.181,36 6.208,37 4.125,38 4.969,39 5.193,40 4.08,41 4.138,42 6.046,43 4.091,44 4.999,45 5.237,46 4.053,47 4.149,48 5.998,49 4.071,50 5.087,51 5.369,52 4.064,53 4.066,54 6.262,55 3.964,56 0.141,57 1.027,58 10.564,59 4.878,60 19.537,61 6.16,62 1.014,63 1.921,64 24,65 7.883,66 144.551,67 10.398,68 0.562,69 1.863,70 26.44,71 9.351,72 40.941,73 12.74,74 0.653,75 2.176,76 31.654,77 11.183,78 61.137,79 14.816,80 1.012,81 2.139,82 39.5,83 11.948,84 122.915,85 16.169,86 0.824,87 1.894,88 32.052,89 9.434,90 82.082,91 13.017,92 0.68,93 1.866,94 32.563,95 10.24,96 51.388,97 15.039,98 1.189,99 1.937,100 40.562,101 11.909,102 109.983,103 17.992,104 41,105 49,106 0.283,107 0.601,108 0.78,109 0.823,110 0.829,111 0.829,112 3.441,113 0.895,114 -5.71,115 -5.58,116 -5.2,119 38.9,120 2,121 1,124 1,125 4,132 1,142 4,143 4,146 1,147 1,153 1,161 1,166 1,172 9,174 2,175 7,178 1,180 1,183 12,186 2,187 5,190 1,195 11,198 1,199 5,202 2,204 1,207 7,211 2,212 8,217 2,220 5,224 11,229 1,232 4,236 1,237 6,240 1,242 2,245 3,249 1,250 4,255 3,258 3,263 3,268 1,271 1,275 1444,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 17.926,282 28.657,283 11.355,284 20.6,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.186,291 41.264,292 5.294,293 17.474,294 4.049,295 2.138,296 1.056,297 0.797,298 0.76,299 0.76,300 4.131,304 1,305 1,306 654,307 3.606,310 64.044,311 262.353,314 117.846,318 1.547,319 44.366,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 68,331 306,332 4.713,333 4.472,334 7.265,335 4.298,336 3.396,337 4.679,338 3.825,339 12.293,340 3.161,341 4.572,342 3.414,343 6.865,344 4.215,345 3.275,346 4.117,347 0.86,348 11.47,349 3.051,350 4.045,351 3.121,352 6.171,353 3.747,354 2.811,355 3.469,356 0.8,357 9.131,358 2.623,359 3.896,360 2.975,361 6.058,362 3.589,363 2.659,364 3.154,365 0.68,366 8.632,367 2.423,368 3.707,369 2.638,370 5.861,371 3.351,372 2.408,373 3.035,374 0.4,375 7.894,376 2.25,377 3.201,378 2.286,379 5.039,380 2.795,381 1.875,382 2.442,384 5.473,385 1.724,386 2.968,387 2.034,388 4.787,389 2.632,390 1.702,391 2.087,393 4.964,394 1.577,395 2.916,396 1.932,397 4.569,398 2.57,399 1.63,400 2.021,402 4.563,403 1.496,404 2.855,405 1.524,406 4.247,407 2.414,408 1.414,409 1.975,411 3.549,412 1.414,413 2.569,414 1.51,415 3.879,416 2.214,417 1.271,418 1.587,420 3.171,421 1.189,422 2.21,423 1.406,424 3.532,425 1.963,426 1.071,427 1.186,428 2.64,429 0.948,430 2,431 1.256,432 3.284,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.707,439 0.845,440 3.247,441 1.469,442 0.525,443 0.599,445 1.112,446 0.494,447 1.428,448 0.53,449 2.972,450 1.157,451 0.192,452 0.228,454 0.397,455 0.185,456 1.1,457 0.51,458 2.776,459 0.834,460 -0.135,461 -0.157,463 -0.31,464 -0.13,465 13.69,466 0.456,467 0.967,468 0.032,469 35.25,470 1.175,471 15,472 0.5,473 20.25,474 0.675,475 29.592,476 0.986,477 34.31,478 0.635,479 29.679,480 0.989,481 7.198,482 0.24,483 7.093,484 0.236,485 0.172,486 0.037,487 0.351,490 3,493 0.618,494 1.167,495 0.697,496 1.219,497 0.577,498 1.04,499 0.622,500 0.77,501 0.7,502 0.832,503 0.362,504 0.798,505 0.703,506 0.948,507 0.847,508 0.993,509 0.502,510 0.97,511 0.836,512 1.106,513 1.028,514 1.186,515 0.791,516 1.167,517 1.049,518 1.021,519 0.985,520 0.912,521 1.112,522 0.916,523 1.09,524 0.999,525 1.221,526 1.016,527 0.944,528 1.103,529 0.643,530 0.907,531 1.039,532 1.128,533 0.488,534 1.178,535 0.489,536 0.701,537 0.735,538 0.968,539 0.535,540 0.956,541 7,542 0.231,543 4.222,544 2.889,545 2.027,546 1.504,547 0.755,548 0.706,549 0.447,550 0.284,551 10620,552 33577,553 2.04,554 44.4,555 5,556 15,559 1,560 3,564 1.734,565 1.865,566 3.326,567 -0.283,569 1,573 92.122,574 1.706,575 3.617,576 4.699,577 4.958,578 4.995,579 4.995,580 2.749,581 4.548,582 4.88,583 3.493,584 1519.52,585 8.543,586 20391,588 1,590 1,591 310.764,592 1.679,593 4.809,594 0.212,595 0.01,596 0.086,597 0.056,598 0.041,599 0.031,600 0.017,601 0.017,602 0.011,603 0.011,604 0.491,605 0.33,606 0.88,607 0.888,608 151.529,609 -0.016,610 -0.146,611 0.054,612 -0.104,613 -0.08,614 -0.027,615 0.299,616 0.24,617 0.205,618 0.172,619 0.444,620 0.16,621 -0.041,622 -0.069,623 0.001,624 0.01,625 0.015,626 0.015,627 -0.075,628 -0.126,629 -0.142,630 -0.18,631 -0.026,632 -0.182,633 -0.105,634 -0.033,635 -0.001,636 0.064,637 -0.108,638 0.071,639 -0.236,640 -0.021,641 -0.306,642 -0.062,643 -0.152,644 -0.161,645 -0.04,646 -0.115,647 -0.161,648 -0.183,649 -0.013,650 -0.199,651 0.304,652 0.087,653 0.257,654 -0.022,655 0.215,656 0.058,657 5.628,658 5.344,659 0.7,660 26.209,661 1.02,662 1.153,663 4.48,664 20.074,665 0.642,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.86,672 5.063,673 5.215,674 5.293,675 5.394,676 6.243,677 0.625,678 419.5,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.704,685 9.608,686 10.527,687 11.435,688 12.355,689 9.3,694 1,695 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,724 1,726 1,731 54,733 16,734 1,735 33,737 57,738 21,739 12,740 3,741 3,746 4,747 5,752 3,757 1,758 1,761 12,762 9,778 1,779 3,781 24,782 8,783 1,784 9,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 3,846 3,848 30,854 5,855 1,856 1,859 1,860 1,869 3,870 1.9,874 1,877 16.083,878 10.729,879 6.444,880 3.244,881 3.196,882 1.405,883 0.994,884 5.648,885 11.082,886 3.738,887 4.391,888 5.018,889 5.649,890 6.206,891 6.578,892 7.038,893 7.456,894 7.717,895 8.052,896 0.857,897 52,898 11.554,900 5.354,901 8.036,902 20.92,904 17.284,905 2.536,906 76.083,908 1,909 1,910 270.735,911 109.512,912 55.748,914 11,915 44.88,917 109.512,918 281.735,919 100.628,920 26.047,921 15.931,922 37.905,923 64.174,924 66.996,925 2.328,926 270.735,927 7.76,928 270.735,929 165.26,930 55.88,933 270.735,934 44.88,935 11,937 49.305,938 64.496,939 51.459,941 315.616,942 66.747,943 109.512,946 278.495,947 37.801,948 68.24,949 18.011,950 89.329,951 270.735,952 111.628,953 109.512,955 0.596,956 0.353,957 0.193,958 0.106,959 25,960 12,961 0.07,962 4,963 1,964 1.095,965 3.917,966 282.599,967 0.095,968 21,969 138.452,974 20.953,975 8.087,976 4.021,977 0.651,978 110.464,979 6.246,980 9.427,984 3.397,986 18.011,987 491.875,988 41,999 55.094,1000 62.287,1001 0.296,1002 0.628,1003 0.817,1004 0.862,1005 0.868,1006 0.868,1007 5.024,1008 1.63,1009 6.023,1010 4.964,1011 4.595,1012 5.078,1013 3.2,1014 6.925,1015 4.461,1016 6.269,1017 1.414,1018 7.648,1019 4.563,1020 4.443,1021 5.112,1022 3.911,1023 8.131,1024 4.176,1025 7.621,1026 1.271,1027 9.382,1028 3.549,1029 6.319,1030 7.367,1031 5.429,1032 11.206,1033 6.049,1034 9.01,1035 1.071,1036 11.18,1037 3.171,1038 6.957,1039 8.208,1040 6.69,1041 13.191,1042 6.563,1043 10.434,1044 1,1045 13.018,1046 2.64,1047 8.376,1048 10.004,1049 8.058,1050 15.853,1051 7.957,1052 11.88,1053 0.525,1054 14.882,1055 2.136,1056 9.341,1057 11.21,1058 9.389,1059 18.134,1060 8.819,1061 13.344,1062 0.192,1063 16.766,1064 1.112,1065 10.604,1066 12.832,1067 10.734,1068 20.67,1069 10.037,1070 3.396,1071 -0.135,1072 18.664,1073 0.397,1074 11.705,1075 14.209,1076 12.074,1077 23.071,1078 11.049,1079 3.275,1080 12.293,1081 20.574,1082 -0.31,1083 12.918,1084 15.766,1085 13.416,1086 25.568,1087 12.205,1088 2.811,1089 11.47,1090 22.492,1091 4.679,1092 14.075,1093 17.222,1094 14.758,1095 28.019,1096 13.283,1097 2.659,1098 9.131,1099 24.419,1100 4.117,1101 15.275,1102 18.757,1103 16.1,1104 30.507,1105 14.418,1106 2.408,1107 8.632,1108 26.352,1109 3.469,1110 16.457,1111 20.251,1112 17.441,1113 32.979,1114 15.526,1115 1.875,1116 7.894,1117 28.29,1118 3.154,1119 17.656,1120 21.779,1121 18.783,1122 35.467,1123 16.657,1124 1.702,1125 5.473,1126 30.233,1127 3.035,1128 18.85,1129 23.293,1130 20.124,1131 37.95,1132 17.778,1133 10287,1134 18489,1135 21.383,1136 34.671,1137 50.785,1138 50.626,1139 52.4,1140 50.685,1141 50.46,1142 63.159,1143 13.131,1144 154.851,1145 46.962,1146 5.713,1147 6.472,1148 7.067,1149 5.401,1150 5.396,1151 7.679,1152 5.335,1153 20.015,1154 5.161,1155 17.298,1156 1.539,1157 1.534,1158 1.588,1159 1.536,1160 1.529,1161 1.914,1162 0.398,1163 4.692,1164 1.423,1165 4.145,1166 4.198,1167 4.123,1168 3.996,1169 8.513,1170 4.016,1171 3.944,1172 3.974,1173 3.908,1174 3.844,1175 7.999,1176 3.858,1177 3.76,1178 3.817,1179 3.656,1180 3.551,1181 7.999,1182 3.567,1183 3.501,1184 3.567,1185 3.416,1186 3.337,1187 5.103,1188 3.343,1189 3.331,1190 3.384,1191 3.312,1192 3.065,1193 4.676,1194 3.1,1195 3.251,1196 3.343,1197 3.09,1198 3.03,1199 4.63,1200 3.008,1201 3.172,1202 3.258,1203 2.979,1204 2.992,1205 4.392,1206 2.995,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.257,1212 2.91,1213 0.143,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.713,1219 0.142,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.298,1225 0.096,1226 3.396,1227 4.679,1228 3.825,1229 12.293,1230 3.161,1231 1.97,1232 1.946,1233 2.067,1234 2.101,1235 1.277,1236 2.075,1237 1.862,1238 1.813,1239 1.967,1240 2.03,1241 1.21,1242 2.025,1243 1.638,1244 1.586,1245 1.828,1246 1.893,1247 1,1248 1.877,1249 1.584,1250 1.53,1251 1.77,1252 1.745,1253 0.873,1254 1.754,1255 1.256,1256 1.155,1257 1.591,1258 1.561,1259 0.825,1260 1.578,1261 1.21,1262 1.133,1263 1.552,1264 1.46,1265 0.648,1266 1.47,1267 1.175,1268 1.11,1269 1.513,1270 1.418,1271 0.606,1272 1.429,1273 1.153,1274 1.064,1275 1.447,1276 1.376,1277 0.586,1278 1.416,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.844,1285 8.785,1286 7.034,1287 10.481,1289 5.192,1291 40.033,1295 3.073,1296 3.148,1297 5.429,1300 2.145,1301 -4.378,1305 33.767,1306 92.122,1307 195.298,1308 253.744,1309 267.744,1310 269.744,1311 269.744,1312 62.239,1313 7.886,1314 54.69,1315 54.69,1316 23,1317 12.866,1318 4.087,1319 3.17,1320 46.77,1321 111,1322 111,1323 0.206,1324 203.707,1325 353.24,1326 488.804,1327 28033,1328 5.6,1329 21.466,1330 0.716,1331 0.573,1332 18.966,1333 17.176,1334 14.291,1335 0.433,1336 0.298,1337 9.627,1338 13.459,1339 9.364,1340 7.705,1341 13.08,1342 9.847,1343 13.761,1344 0.281,1345 0.151,1346 11.766,1347 7.413,1348 11.257,1349 0.171,1350 0.085,1351 10.552,1352 5.582,1353 9.645,1354 0.108,1355 0.043,1356 8.661,1357 3.866,1358 7.81,1359 0.069,1360 0.023,1361 7.242,1362 2.619,1363 0.316,1364 91.483,1365 0.216,1366 27.747,1367 0.59,1368 164,1369 644.982,1370 194.719,1371 537.213,1372 716.6,1373 502,1374 197,1375 517.549,1376 223.067,1377 501.61,1378 761.8,1379 471,1380 5.8}
{0 CHEMBL2322225,1 1.663,2 9.28,3 3.589,4 12.882,5 98.585,6 8.596,7 0.517,8 3.867,9 3.951,10 3.616,11 3.486,12 4.953,13 3.462,14 4.416,15 4.54,16 4.006,17 3.904,18 5.485,19 3.867,20 4.62,21 4.784,22 4.063,23 3.975,24 5.66,25 3.919,26 4.596,27 4.764,28 3.942,29 3.952,30 5.677,31 3.864,32 4.557,33 4.751,34 3.844,35 3.857,36 5.538,37 3.758,38 4.402,39 4.548,40 3.88,41 3.817,42 5.532,43 3.739,44 4.384,45 4.511,46 3.814,47 3.767,48 5.581,49 3.659,50 4.244,51 4.424,52 3.428,53 3.549,54 5.224,55 3.42,56 0.05,57 0.574,58 6.98,59 3.861,60 4.938,61 4.198,62 0.265,63 0.994,64 15.722,65 6.87,66 15.68,67 7.224,68 0.404,69 1.186,70 22.022,71 8.704,72 24.926,73 9.495,74 0.402,75 1.127,76 21.254,77 9.133,78 34.291,79 10.453,80 0.42,81 1.083,82 24.164,83 9.257,84 31.527,85 10.651,86 0.244,87 0.937,88 17.666,89 7.643,90 29.606,91 8.054,92 0.417,93 0.965,94 21.216,95 7.866,96 42.658,97 7.531,98 0.206,99 0.834,100 20.647,101 7.44,102 18.146,103 7.952,104 2,105 42,106 0.288,107 0.685,108 0.802,109 0.836,110 0.844,111 0.844,112 3.268,113 0.944,114 -2.92,115 -2.93,116 -2.83,119 46.3,125 4,135 1,139 1,142 4,143 3,144 1,151 2,152 2,157 1,172 6,174 1,175 4,180 3,183 8,186 1,187 3,192 2,195 8,198 2,199 4,204 1,207 5,211 1,212 6,217 1,220 3,224 5,232 3,236 1,237 5,240 1,242 1,245 2,250 4,258 1,263 2,266 2,268 1,275 866,276 17.447,277 17.447,278 17.447,279 17.447,280 17.447,281 15.476,282 13.258,283 10.193,284 18.014,285 14.352,286 14.352,287 14.352,288 14.352,289 14.352,290 11.224,291 16.375,292 4.856,293 15.262,294 3.694,295 1.406,296 0.732,297 0.537,298 0.488,299 0.488,300 3.985,303 1,304 1,305 1,306 529,307 2.121,310 99.827,311 180.41,314 174.646,318 1.434,319 22.321,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 232,332 4.608,333 3.648,334 6.827,335 4.204,336 3.251,337 4.425,338 1.138,339 11.315,340 3.106,341 4.397,342 3.18,343 6.245,344 3.915,345 2.94,346 4.194,347 0.86,348 9.404,349 2.862,350 4.031,351 3.073,352 6.115,353 3.679,354 2.749,355 3.403,356 0.643,357 8.959,358 2.581,359 3.755,360 2.85,361 5.913,362 3.444,363 2.461,364 3.039,366 8.127,367 2.378,368 3.282,369 2.405,370 5.059,371 2.842,372 1.853,373 2.503,375 5.61,376 1.815,377 3.034,378 2.188,379 4.537,380 2.701,381 1.818,382 2.301,384 4.671,385 1.594,386 2.982,387 1.761,388 4.385,389 2.523,390 1.534,391 2.003,393 4.224,394 1.515,395 2.653,396 1.534,397 4.097,398 2.147,399 1.272,400 1.705,402 3.196,403 1.126,404 2.557,405 1.296,406 3.754,407 2.076,408 1.175,409 1.568,411 2.91,412 1.025,413 2.405,414 1.256,415 3.449,416 1.952,417 1,418 1.342,420 2.37,421 0.946,422 2.181,423 1.243,424 3.429,425 1.939,426 1,427 1.065,428 2.136,429 0.93,430 2,431 1.008,432 3.247,433 1.691,434 0.814,435 1,436 2.109,437 0.691,438 1.892,439 0.487,440 3.037,441 1.365,442 0.395,443 0.587,445 0.985,446 0.382,447 1.231,448 0.342,449 2.706,450 0.692,451 -0.257,452 -0.339,454 -0.672,455 -0.231,456 0.804,457 -0.203,458 2.66,459 0.444,460 -0.524,461 -0.645,463 -1.33,464 -0.507,465 12.133,466 0.485,467 0.551,468 0.022,469 32.5,470 1.3,471 15.5,472 0.62,473 17,474 0.68,475 19.754,476 0.79,477 25.667,478 0.626,479 22.199,480 0.888,481 6.344,482 0.254,483 5.949,484 0.238,485 0.027,487 0.363,493 0.804,494 1.133,495 0.67,496 0.889,497 0.575,498 0.814,499 1.123,500 0.952,501 0.899,502 0.845,503 0.694,504 0.814,505 1.133,506 0.908,507 0.845,508 0.89,509 0.94,510 0.892,511 0.906,512 0.959,513 0.922,514 0.966,515 0.81,516 1.017,517 0.965,518 0.908,519 0.953,520 0.935,521 0.948,522 0.899,523 1.22,524 1.005,525 1.02,526 0.989,527 1.732,528 0.952,529 1.272,530 1.228,531 1.692,532 1.447,533 1.991,534 1.259,535 0.89,536 1.347,537 1.608,538 1.597,539 0.926,540 1.325,541 4,542 0.04,543 3.111,544 1.417,545 1.294,546 0.885,547 0.556,548 0.272,549 0.161,550 0.109,551 7485,552 20014,553 2.251,554 39,556 13,557 2,559 1,564 1.683,565 2.174,566 3.227,567 -0.317,569 1,573 68.194,574 1.663,575 3.951,576 4.626,577 4.821,578 4.87,579 4.87,580 2.695,581 4.214,582 4.616,583 3.339,584 1001.59,585 7.998,586 11660.9,587 1,588 1,590 1,591 219.66,592 1.159,593 4.603,594 0.138,595 0.004,596 0.074,597 0.035,598 0.035,599 0.027,600 0.016,601 0.009,602 0.008,603 0.007,604 0.353,605 0.5,606 0.88,607 0.372,608 118.5,609 -0.051,610 -0.099,611 0.07,612 0.001,613 -0.033,614 0.027,615 -0.115,616 0.096,617 -0.024,618 0.084,619 -0.025,620 0.057,621 -0.066,622 0.091,623 0.06,624 0.037,625 -0.045,626 0.034,627 0.071,628 -0.017,629 -0.008,630 -0.011,631 0.09,632 -0.05,633 0.043,634 0.02,635 0.088,636 0.089,637 -0.014,638 0.122,639 -0.149,640 -0.037,641 -0.004,642 0.035,643 -0.139,644 -0.003,645 -0.057,646 -0.174,647 -0.373,648 -0.252,649 -0.167,650 -0.32,651 -0.058,652 -0.35,653 -0.34,654 -0.425,655 -0.043,656 -0.294,657 1.651,658 5.545,659 0.96,660 19.626,661 1.011,662 1.109,663 1.694,664 2.868,665 0.716,666 3.401,667 3.761,668 4.111,669 4.431,670 4.663,671 4.828,672 5.03,673 5.204,674 5.288,675 5.412,676 5.562,677 0.684,678 352.44,679 3.401,680 4.963,681 5.849,682 6.751,683 7.652,684 8.56,685 9.468,686 10.38,687 11.29,688 12.204,689 4.9,692 1,697 1,703 2,704 6,706 1,708 1,709 4,711 15,716 1,729 1,731 41,733 17,734 1,735 29,737 45,738 19,739 12,740 3,741 3,742 3,746 5,747 7,761 15,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 16,782 4,783 1,784 6,785 1,790 2,794 0.6,795 3,807 1,811 2,812 3,815 2,831 1,836 1,839 1,840 3,842 1,848 25,854 4,856 2,859 1,865 1,870 7.3,873 1,874 1,875 1,877 11.5,878 7.45,879 5.333,880 2.486,881 3.429,882 1.432,883 1.066,884 3.733,885 11.374,886 3.676,887 4.311,888 4.972,889 5.603,890 6.077,891 6.544,892 7.028,893 7.505,894 7.808,895 8.218,896 1,897 41,898 9.277,900 4.113,901 7.647,902 17.938,904 15.443,905 2.147,906 53.667,909 1,910 176.567,911 136.39,912 19.91,914 47.145,916 31.278,917 105.112,918 223.711,919 19.91,921 13.396,922 64.078,923 41.278,924 49.912,925 27.045,926 184.302,928 176.567,929 125.022,930 47.145,931 31.278,933 176.567,934 36.145,935 11,937 33.306,938 82.24,939 9.476,940 31.278,941 176.567,942 67.055,943 136.39,946 176.567,947 72.312,948 67.202,949 16.786,950 47.145,951 176.567,952 67.055,953 136.39,955 0.588,956 0.356,957 0.201,958 0.105,959 24,960 9,961 0.044,962 2,963 2,964 1.167,965 3.77,966 226.488,967 0.167,968 24,969 112.096,970 1,974 15.318,975 6.092,976 2.631,977 2.238,978 50.269,979 12.209,981 3.201,983 1.441,984 3.367,986 16.786,987 380.011,988 38.5,993 12.545,995 1.6,997 0.643,999 41.447,1000 45.451,1001 0.31,1002 0.738,1003 0.863,1004 0.9,1005 0.909,1006 0.909,1007 4.933,1008 1.272,1009 5.838,1010 4.224,1011 4.443,1012 4.997,1013 1.724,1014 6.691,1015 4.334,1016 6.146,1017 1.175,1018 7.416,1019 3.196,1020 4.007,1021 4.832,1022 0.325,1023 7.644,1024 3.898,1025 7.468,1026 1,1027 9.097,1028 2.91,1029 6.071,1030 7.246,1031 1.676,1032 10.786,1033 5.881,1034 8.83,1035 1,1036 10.838,1037 2.37,1038 6.509,1039 7.984,1040 0.424,1041 12.584,1042 6.306,1043 10.228,1044 0.814,1045 12.619,1046 2.136,1047 8.005,1048 9.823,1049 1.733,1050 15.224,1051 7.74,1052 11.652,1053 0.395,1054 14.425,1055 2.109,1056 8.832,1057 10.963,1058 0.581,1059 17.359,1060 8.539,1061 13.093,1062 -0.257,1063 16.25,1064 0.985,1065 10.107,1066 12.579,1067 1.843,1068 19.834,1069 9.764,1070 3.251,1071 -0.524,1072 18.088,1073 -0.672,1074 11.11,1075 13.899,1076 0.788,1077 22.114,1078 10.73,1079 2.94,1080 11.315,1081 19.937,1082 -1.33,1083 12.3,1084 15.425,1085 1.986,1086 24.537,1087 11.875,1088 2.749,1089 9.404,1090 21.793,1091 4.425,1092 13.383,1093 16.827,1094 1.027,1095 26.885,1096 12.916,1097 2.461,1098 8.959,1099 23.656,1100 4.194,1101 14.544,1102 18.318,1103 2.153,1104 29.294,1105 14.033,1106 1.853,1107 8.127,1108 25.524,1109 3.403,1110 15.665,1111 19.756,1112 1.284,1113 31.676,1114 15.11,1115 1.818,1116 5.61,1117 27.397,1118 3.039,1119 16.819,1120 21.234,1121 2.337,1122 34.085,1123 16.22,1124 1.534,1125 4.671,1126 29.274,1127 2.503,1128 17.958,1129 22.69,1130 1.553,1131 36.484,1132 17.315,1133 6786,1134 11231,1135 20.285,1136 29.352,1137 45.038,1138 45.746,1139 44.879,1140 44.482,1141 44.523,1142 58.273,1143 5.281,1144 132.031,1145 41.9,1146 5.608,1147 5.648,1148 6.629,1149 5.343,1150 5.251,1151 7.425,1152 2.22,1153 18.7,1154 5.106,1155 6.051,1156 1.553,1157 1.577,1158 1.548,1159 1.534,1160 1.535,1161 2.009,1162 0.182,1163 4.553,1164 1.445,1165 4.139,1166 4.166,1167 4.282,1168 4.087,1169 7.428,1170 4.075,1171 3.946,1172 3.957,1173 4.034,1174 3.895,1175 4.998,1176 3.864,1177 3.749,1178 3.789,1179 3.708,1180 3.574,1181 4.82,1182 3.58,1183 3.446,1184 3.476,1185 3.384,1186 3.31,1187 4.605,1188 3.32,1189 3.231,1190 3.264,1191 3.303,1192 3.159,1193 4.335,1194 3.127,1195 3.111,1196 3.206,1197 2.894,1198 2.941,1199 4.099,1200 2.91,1201 2.945,1202 2.996,1203 2.866,1204 2.819,1205 3.755,1206 2.805,1207 2.881,1208 2.91,1209 2.799,1210 2.577,1211 3.676,1212 2.63,1213 0.159,1214 0.126,1215 0.235,1216 0.145,1217 0.112,1218 4.608,1219 0.153,1220 3.648,1221 0.039,1222 6.827,1223 0.39,1224 4.204,1225 0.107,1226 3.251,1227 4.425,1228 1.138,1229 11.315,1230 3.106,1231 1.958,1232 1.941,1233 2.032,1234 2.033,1235 1.209,1236 2.031,1237 1.774,1238 1.75,1239 1.933,1240 1.982,1241 1.186,1242 1.97,1243 1.578,1244 1.553,1245 1.672,1246 1.756,1247 0.825,1248 1.736,1249 1.484,1250 1.422,1251 1.657,1252 1.695,1253 0.813,1254 1.691,1255 1.372,1256 1.369,1257 1.513,1258 1.413,1259 0.659,1260 1.448,1261 1.153,1262 1.064,1263 1.405,1264 1.376,1265 0.632,1266 1.429,1267 1.019,1268 1.011,1269 1.128,1270 1.155,1271 0.352,1272 1.165,1273 0.872,1274 0.811,1275 1.079,1276 1.072,1277 0.191,1278 1.096,1279 4.078,1281 5.425,1282 3.045,1283 6.973,1284 5.352,1285 8.611,1286 7.424,1287 10.297,1295 2.789,1297 11.562,1300 2.071,1305 28.062,1306 68.194,1307 162.008,1308 189.66,1309 197.66,1310 199.66,1311 199.66,1312 32.741,1313 7.945,1314 58.47,1315 86.71,1316 28,1317 12.718,1318 4.17,1319 3.392,1320 31.991,1321 82,1322 82,1323 0.19,1324 169.347,1325 288.52,1326 404.967,1327 31049,1329 16.803,1330 0.672,1331 0.571,1332 17.156,1333 14.267,1334 12.293,1335 0.424,1336 0.315,1337 8.2,1338 11.355,1339 7.995,1340 6.507,1341 12.747,1342 9.13,1343 11.2,1344 0.267,1345 0.167,1346 11.724,1347 7.015,1348 10.166,1349 0.169,1350 0.093,1351 10.935,1352 5.593,1353 8.988,1354 0.108,1355 0.051,1356 9.839,1357 4.202,1358 7.131,1359 0.068,1360 0.026,1361 7.845,1362 2.782,1363 0.291,1364 81.721,1365 0.222,1366 23.879,1367 0.545,1368 142,1369 416.045,1370 177.718,1371 414.406,1372 576.27,1373 392,1374 173,1375 415.734,1376 210.231,1377 431.422,1378 643.93,1379 408,1380 6.664}
{0 CHEMBL2322226,1 1.75,2 7.81,3 2.958,4 8.748,5 86.455,6 9.395,7 0.417,8 3.68,9 3.745,10 3.553,11 3.356,12 4.758,13 3.297,14 4.231,15 4.342,16 3.903,17 3.747,18 5.295,19 3.676,20 4.393,21 4.545,22 3.906,23 3.739,24 5.443,25 3.675,26 4.355,27 4.503,28 3.86,29 3.747,30 5.484,31 3.652,32 4.351,33 4.52,34 3.88,35 3.699,36 5.373,37 3.567,38 4.147,39 4.294,40 3.608,41 3.547,42 5.291,43 3.447,44 4.08,45 4.201,46 3.567,47 3.468,48 5.316,49 3.326,50 3.883,51 4.072,52 3.089,53 3.239,54 4.715,55 3.013,56 0.054,57 0.45,58 5.039,59 3.405,60 4.13,61 3.485,62 0.283,63 0.823,64 15.003,65 6.496,66 14.611,67 5.985,68 0.401,69 0.942,70 18.179,71 7.447,72 22.584,73 7.203,74 0.396,75 0.874,76 16.502,77 7.531,78 30.385,79 7.873,80 0.441,81 0.916,82 24.845,83 8.781,84 29.004,85 8.27,86 0.253,87 0.714,88 13.258,89 6.065,90 28.337,91 6.068,92 0.353,93 0.71,94 15.93,95 6.255,96 38.43,97 5.446,98 0.149,99 0.594,100 16.2,101 6.078,102 12.718,103 6.245,104 2,105 34,106 0.321,107 0.671,108 0.788,109 0.813,110 0.824,111 0.824,112 3.105,113 1.07,114 -2.91,115 -2.91,116 -2.81,119 44.1,125 4,135 1,139 1,142 1,143 2,144 1,151 3,152 1,157 1,172 2,174 1,175 4,183 4,186 1,187 3,195 3,198 2,199 3,207 2,211 1,212 5,220 2,224 2,232 1,236 1,237 3,245 1,250 2,263 1,275 512,276 14.637,277 14.637,278 14.637,279 14.637,280 14.637,281 13.182,282 13.258,283 8.697,284 15.353,285 11.881,286 11.881,287 11.881,288 11.881,289 11.881,290 9.58,291 16.375,292 4.145,293 12.996,294 3.337,295 1.422,296 0.787,297 0.647,298 0.588,299 0.588,300 3.804,303 1,304 1,305 1,306 368,307 1.871,310 88.704,311 106.031,314 73.544,318 1.17,319 19.906,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 164,332 4.591,333 3.648,334 6.823,335 4.192,336 3.244,337 4.282,338 1.138,339 11.297,340 3.075,341 4.101,342 3.179,343 6.164,344 3.747,345 2.806,346 3.561,347 0.86,348 9.122,349 2.666,350 3.838,351 3.034,352 5.96,353 3.51,354 2.558,355 3.166,356 0.643,357 8.293,358 2.402,359 3.428,360 2.472,361 5.095,362 2.964,363 2,364 2.674,366 5.751,367 1.905,368 2.99,369 2.295,370 4.537,371 2.701,372 1.819,373 2.016,375 4.671,376 1.594,377 2.754,378 1.78,379 4.192,380 2.247,381 1.354,382 1.81,384 3.523,385 1.185,386 2.549,387 1.498,388 3.754,389 2.077,390 1.248,391 1.546,393 2.932,394 1.023,395 2.251,396 1.26,397 3.448,398 1.952,399 1,400 1.179,402 2.283,403 0.946,404 2.13,405 1.256,406 3.259,407 1.784,408 0.939,409 1,411 2.136,412 0.772,413 2.118,414 0.825,415 3.247,416 1.562,417 0.652,418 0.932,420 1.711,421 0.574,422 2,423 0.618,424 3,425 1.488,426 0.618,427 0.927,428 1.372,429 0.524,430 1.216,431 0.38,432 2.697,433 0.673,434 -0.278,435 -0.368,436 -0.725,437 -0.25,438 0.597,439 -0.215,440 2.544,441 0.396,442 -0.55,443 -0.651,445 -1.353,446 -0.526,447 0.27,448 -0.36,449 2.143,450 0.031,451 -0.874,452 -0.933,454 -2.263,455 -0.77,456 0.17,457 -0.579,458 2,459 -0.149,460 -1,461 -1,463 -2.347,464 -0.846,465 10.567,466 0.503,467 0.432,468 0.021,469 25.5,470 1.214,471 11.5,472 0.548,473 14,474 0.667,475 17.179,476 0.818,477 21.833,478 0.642,479 15.684,480 0.747,481 4.779,482 0.228,483 5.548,484 0.264,485 0.032,487 0.322,493 0.769,494 1.079,495 0.665,496 0.832,497 0.551,498 0.805,499 1.16,500 0.897,501 0.988,502 0.867,503 0.69,504 0.803,505 1.211,506 0.882,507 0.77,508 0.815,509 0.994,510 0.858,511 0.968,512 0.897,513 0.76,514 0.799,515 0.827,516 0.9,517 1.041,518 0.949,519 0.886,520 0.909,521 1.002,522 0.904,523 1.22,524 0.94,525 0.858,526 0.83,527 1.89,528 0.958,529 1.199,530 1.259,531 1.405,532 1.34,533 2.218,534 1.321,535 0.573,536 1.288,537 1.442,538 1.507,539 0.56,540 1.452,541 3,542 0.005,543 2.444,544 1.062,545 1.006,546 0.701,547 0.407,548 0.174,549 0.027,550 0.021,551 4358,552 13254,553 2.215,554 38.2,556 10,557 3,564 1.636,565 2.136,566 3.001,567 -0.704,569 1,571 1,573 59.51,574 1.75,575 3.665,576 4.301,577 4.44,578 4.499,579 4.499,580 2.453,581 4.011,582 4.365,583 3.089,584 648.703,585 7.501,586 6646.13,587 1,588 1,589 1,590 1,591 172.974,592 1.166,593 4.35,594 0.125,595 0.002,596 0.072,597 0.033,598 0.032,599 0.026,600 0.017,601 0.009,602 0.002,603 0.003,604 0.323,605 0.5,606 1,607 0.418,608 92.742,609 -0.04,610 -0.114,611 0.066,612 0.012,613 -0.021,614 0.015,615 -0.142,616 0.141,617 -0.094,618 0.06,619 -0.022,620 0.061,621 -0.085,622 0.102,623 0.037,624 0.03,625 -0.058,626 0.039,627 0.08,628 0.025,629 0.055,630 0.068,631 0.124,632 0.03,633 0.034,634 0.011,635 0.138,636 0.093,637 -0.037,638 0.09,639 -0.187,640 -0.009,641 -0.045,642 0.037,643 -0.185,644 -0.037,645 -0.067,646 -0.244,647 -0.308,648 -0.279,649 -0.198,650 -0.396,651 0.024,652 -0.321,653 -0.26,654 -0.383,655 -0.047,656 -0.371,657 1.635,658 5.32,659 0.952,660 14.304,661 1.016,662 1.102,663 1.676,664 2.809,665 0.742,666 3.219,667 3.555,668 3.892,669 4.205,670 4.394,671 4.554,672 4.71,673 4.812,674 4.836,675 4.82,676 4.783,677 0.697,678 319.43,679 3.219,680 4.762,681 5.638,682 6.532,683 7.427,684 8.331,685 9.233,686 10.142,687 11.049,688 11.96,689 2.9,692 1,704 4,708 2,709 4,711 10,716 1,729 1,731 34,733 12,735 24,737 37,738 15,739 8,742 3,746 4,747 5,761 11,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 13,782 4,784 6,785 2,790 1,794 0.75,795 3,811 2,812 2,815 1,831 1,836 1,839 1,840 3,842 2,848 21,854 4,856 2,859 1,865 2,870 8.8,873 1,874 1,875 1,877 9.833,878 6.2,879 4.556,880 2.028,881 2.184,882 1.306,883 1.03,884 3.649,885 9.319,886 3.466,887 4.034,888 4.642,889 5.23,890 5.554,891 6.023,892 6.392,893 6.722,894 6.947,895 7.038,896 1,897 32,898 7.802,900 3.417,901 7.675,902 15.08,904 12.807,905 2.175,906 45.667,907 0.001,910 153.024,911 140.772,912 3.124,914 47.145,916 62.555,917 78.217,918 200.169,919 3.124,921 13.396,922 41.9,923 41.278,924 30.553,925 36.672,926 180.266,928 153.024,929 81.341,930 47.145,931 62.555,933 153.024,934 36.145,935 11,937 16.52,938 55.345,939 9.476,940 62.555,941 153.024,942 50.269,943 140.772,946 153.024,947 98.873,948 45.024,950 47.145,951 153.024,952 50.269,953 140.772,955 0.58,956 0.351,957 0.201,958 0.102,959 19,960 7,961 0.054,962 2,963 1,964 1.1,965 3.384,966 173.063,967 0.1,968 20,969 88.239,970 2,974 13.612,975 5.63,976 2.473,978 50.269,979 8.153,983 3.09,984 3.498,987 344.066,988 31,993 12.32,995 1.599,997 0.676,999 34.538,1000 37.458,1001 0.344,1002 0.72,1003 0.845,1004 0.873,1005 0.884,1006 0.884,1007 4.714,1008 1,1009 5.617,1010 2.932,1011 4.234,1012 4.718,1013 1.724,1014 6.46,1015 4.078,1016 5.902,1017 0.939,1018 7.188,1019 2.283,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.635,1025 7.208,1026 0.652,1027 8.865,1028 2.136,1029 5.844,1030 6.864,1031 1.676,1032 10.567,1033 5.584,1034 8.554,1035 0.618,1036 10.607,1037 1.711,1038 6.275,1039 7.534,1040 0.424,1041 12.386,1042 6.024,1043 9.94,1044 -0.278,1045 12.391,1046 1.372,1047 7.772,1048 9.337,1049 1.733,1050 15.037,1051 7.422,1052 11.352,1053 -0.55,1054 14.203,1055 -0.725,1056 8.603,1057 10.429,1058 0.581,1059 17.193,1060 8.236,1061 12.784,1062 -0.874,1063 16.034,1064 -1.353,1065 9.879,1066 11.999,1067 1.843,1068 19.682,1069 9.437,1070 3.244,1071 -1,1072 17.88,1073 -2.263,1074 10.89,1075 13.284,1076 0.788,1077 21.981,1078 10.412,1079 2.806,1080 11.297,1081 19.736,1082 -2.347,1083 12.084,1084 14.768,1085 1.986,1086 24.417,1087 11.543,1088 2.558,1089 9.122,1090 21.601,1091 4.282,1092 13.176,1093 16.14,1094 1.027,1095 26.779,1096 12.59,1097 2,1098 8.293,1099 23.472,1100 3.561,1101 14.343,1102 17.594,1103 2.153,1104 29.199,1105 13.7,1106 1.819,1107 5.751,1108 25.348,1109 3.166,1110 15.473,1111 19.006,1112 1.284,1113 31.591,1114 14.78,1115 1.354,1116 4.671,1117 27.23,1118 2.674,1119 16.633,1120 20.453,1121 2.337,1122 34.008,1123 15.886,1124 1.248,1125 3.523,1126 29.115,1127 2.016,1128 17.781,1129 21.884,1130 1.553,1131 36.415,1132 16.982,1133 4075,1134 7226,1135 16.701,1136 25.233,1137 37.082,1138 37.448,1139 36.623,1140 36.371,1141 36.475,1142 46.186,1143 5.281,1144 106.184,1145 33.33,1146 5.591,1147 5.648,1148 6.625,1149 5.333,1150 5.244,1151 7.036,1152 2.22,1153 18.663,1154 5.03,1155 5.297,1156 1.545,1157 1.56,1158 1.526,1159 1.515,1160 1.52,1161 1.924,1162 0.22,1163 4.424,1164 1.389,1165 4.032,1166 4.029,1167 4.313,1168 4.046,1169 7.428,1170 3.987,1171 3.807,1172 3.844,1173 4.131,1174 3.775,1175 4.876,1176 3.704,1177 3.68,1178 3.689,1179 3.707,1180 3.561,1181 4.647,1182 3.547,1183 3.315,1184 3.326,1185 3.371,1186 3.226,1187 4.561,1188 3.209,1189 3.111,1190 3.206,1191 2.977,1192 2.941,1193 4.189,1194 2.91,1195 2.912,1196 2.925,1197 2.866,1198 2.65,1199 3.678,1200 2.669,1201 2.587,1202 2.618,1203 2.749,1204 2.408,1205 3.474,1206 2.348,1207 2.489,1208 2.565,1209 2.515,1210 2.368,1211 3.436,1212 2.289,1213 0.191,1214 0.152,1215 0.284,1216 0.175,1217 0.135,1218 4.591,1219 0.178,1220 3.648,1221 0.047,1222 6.823,1223 0.471,1224 4.192,1225 0.128,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.075,1231 1.791,1232 1.774,1233 1.937,1234 1.995,1235 1.206,1236 1.978,1237 1.654,1238 1.625,1239 1.761,1240 1.79,1241 0.938,1242 1.776,1243 1.542,1244 1.532,1245 1.607,1246 1.635,1247 0.825,1248 1.653,1249 1.322,1250 1.327,1251 1.513,1252 1.376,1253 0.76,1254 1.429,1255 1.153,1256 1.091,1257 1.32,1258 1.33,1259 0.564,1260 1.426,1261 1.091,1262 1.064,1263 1.099,1264 1.163,1265 0.381,1266 1.214,1267 0.939,1268 0.913,1269 1.079,1270 1.088,1271 0.289,1272 1.111,1273 0.641,1274 0.595,1275 0.896,1276 0.888,1277 0.139,1278 0.928,1279 3.892,1281 5.22,1282 3.045,1283 6.749,1284 5.283,1285 8.371,1286 7.31,1287 10.046,1295 2.851,1297 11.411,1300 2.069,1305 23.701,1306 59.51,1307 124.609,1308 146.219,1309 150.974,1310 152.974,1311 152.974,1312 27.785,1313 7.134,1314 42.68,1315 99.16,1316 22,1317 12.475,1318 3.7,1319 3,1320 27.855,1321 60,1322 58,1323 0.234,1324 148.562,1325 255.37,1326 354.252,1327 10731,1329 14.234,1330 0.678,1331 0.611,1332 14.941,1333 12.837,1334 10.326,1335 0.43,1336 0.357,1337 6.784,1338 8.959,1339 6.506,1340 5.282,1341 11.281,1342 8.556,1343 9.22,1344 0.271,1345 0.192,1346 10.243,1347 6.528,1348 8.235,1349 0.172,1350 0.109,1351 9.519,1352 5.244,1353 7.246,1354 0.11,1355 0.061,1356 8.682,1357 4.055,1358 5.44,1359 0.068,1360 0.031,1361 6.521,1362 2.519,1363 0.352,1364 74.469,1365 0.245,1366 20.376,1367 0.69,1368 116,1369 366.573,1370 168.939,1371 383.266,1372 522.43,1373 362,1374 140,1375 350.819,1376 190.432,1377 377.449,1378 560.89,1379 355,1380 6.959}
{0 CHEMBL2322227,1 1.714,2 7.81,3 2.4,4 5.758,5 80.012,6 8.922,7 0.417,8 3.693,9 3.758,10 3.474,11 3.27,12 4.814,13 3.261,14 4.245,15 4.358,16 3.842,17 3.666,18 5.341,19 3.645,20 4.399,21 4.552,22 3.877,23 3.699,24 5.462,25 3.66,26 4.361,27 4.509,28 3.802,29 3.689,30 5.509,31 3.628,32 4.365,33 4.533,34 3.728,35 3.59,36 5.433,37 3.524,38 4.155,39 4.302,40 3.533,41 3.476,42 5.318,43 3.416,44 4.095,45 4.216,46 3.425,47 3.388,48 5.402,49 3.283,50 3.898,51 4.088,52 2.953,53 3.121,54 4.773,55 2.959,56 0.092,57 0.463,58 5.373,59 3.414,60 5.772,61 3.394,62 0.38,63 0.803,64 13.608,65 5.899,66 18.778,67 5.566,68 0.48,69 0.919,70 17.98,71 7.014,72 26.146,73 7.082,74 0.461,75 0.862,76 16.781,77 7.278,78 31.994,79 7.756,80 0.609,81 0.863,82 20.812,83 7.375,84 35.736,85 7.783,86 0.317,87 0.702,88 13.423,89 5.792,90 31.073,91 5.957,92 0.499,93 0.677,94 15.277,95 5.862,96 48.732,97 5.471,98 0.211,99 0.561,100 14.942,101 5.401,102 15.39,103 5.811,104 2,105 34,106 0.314,107 0.697,108 0.813,109 0.824,110 0.824,111 0.824,112 3.105,113 0.952,114 -2.12,115 -2.16,116 -2.15,119 44.1,125 4,135 1,139 1,142 1,143 2,144 1,151 3,152 1,157 1,172 2,174 1,175 6,183 2,186 1,187 4,195 2,198 2,199 3,207 2,211 2,212 5,220 1,224 2,232 1,236 3,237 2,250 2,263 1,275 512,276 14.637,277 14.637,278 14.637,279 14.637,280 14.637,281 13.182,282 13.258,283 8.697,284 15.142,285 11.881,286 11.881,287 11.881,288 11.881,289 11.881,290 9.58,291 16.375,292 4.145,293 12.693,294 3.374,295 1.283,296 0.647,297 0.588,298 0.588,299 0.588,300 3.804,303 1,304 1,305 1,306 368,307 1.871,310 88.704,311 106.031,314 73.544,318 1.17,319 22.62,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 46.5,331 164,332 4.591,333 3.648,334 6.823,335 4.193,336 3.244,337 4.282,338 1.138,339 11.297,340 3.084,341 4.101,342 3.179,343 6.164,344 3.753,345 2.806,346 3.561,347 0.86,348 9.122,349 2.689,350 3.838,351 3.034,352 5.96,353 3.519,354 2.558,355 3.166,356 0.643,357 8.293,358 2.412,359 3.428,360 2.472,361 5.095,362 3.002,363 2,364 2.674,366 5.751,367 1.988,368 2.99,369 2.295,370 4.537,371 2.701,372 1.819,373 2.016,375 4.671,376 1.595,377 2.754,378 1.78,379 4.192,380 2.326,381 1.354,382 1.81,384 3.523,385 1.306,386 2.549,387 1.498,388 3.754,389 2.079,390 1.248,391 1.546,393 2.932,394 1.025,395 2.251,396 1.26,397 3.448,398 1.952,399 1,400 1.179,402 2.283,403 0.946,404 2.13,405 1.256,406 3.259,407 1.819,408 0.939,409 1,411 2.136,412 0.808,413 2.118,414 0.825,415 3.247,416 1.618,417 0.652,418 0.932,420 1.711,421 0.618,422 2,423 0.618,424 3,425 1.595,426 0.618,427 0.927,428 1.372,429 0.6,430 1.216,431 0.38,432 2.697,433 0.676,434 -0.278,435 -0.368,436 -0.725,437 -0.251,438 0.597,439 -0.215,440 2.544,441 0.4,442 -0.55,443 -0.651,445 -1.353,446 -0.527,447 0.27,448 -0.36,449 2.143,450 0.046,451 -0.874,452 -0.933,454 -2.263,455 -0.783,456 0.17,457 -0.579,458 2,459 -0.149,460 -1,461 -1,463 -2.347,464 -0.846,465 10.067,466 0.479,467 0.432,468 0.021,469 26,470 1.238,471 11.5,472 0.548,473 14.5,474 0.69,475 15.978,476 0.761,477 22.333,478 0.657,479 16.885,480 0.804,481 5.167,482 0.246,483 5.159,484 0.246,485 0.033,487 0.338,493 0.81,494 1.222,495 0.649,496 0.973,497 0.557,498 0.864,499 1.188,500 0.892,501 0.925,502 0.811,503 0.739,504 0.775,505 1.086,506 0.909,507 0.841,508 0.883,509 0.97,510 0.878,511 0.878,512 0.99,513 0.871,514 0.948,515 0.798,516 0.96,517 0.952,518 0.979,519 0.986,520 0.994,521 0.978,522 0.926,523 1.105,524 1.044,525 0.973,526 0.982,527 1.802,528 1.022,529 1.01,530 1.203,531 1.628,532 1.412,533 1.999,534 1.375,535 0.701,536 1.356,537 1.54,538 1.648,539 0.624,540 1.493,541 3,542 0.005,543 2.444,544 1.062,545 1.006,546 0.701,547 0.407,548 0.174,549 0.027,550 0.021,551 4358,552 13254,553 2.215,554 38.2,556 10,557 3,564 1.636,565 2.136,566 3.001,567 -0.704,569 1,571 1,573 58.265,574 1.714,575 3.805,576 4.44,577 4.499,578 4.499,579 4.499,580 2.453,581 4.011,582 4.365,583 3.089,584 648.703,585 7.501,586 6646.13,587 1,588 1,590 1,591 172.974,592 1.166,593 4.35,594 0.125,595 0.002,596 0.072,597 0.033,598 0.032,599 0.026,600 0.017,601 0.009,602 0.002,603 0.003,604 0.323,605 0.5,606 1,607 0.418,608 92.742,609 -0.057,610 -0.196,611 0.075,612 -0.061,613 -0.006,614 -0.014,615 -0.184,616 0.164,617 -0.04,618 0.131,619 -0.05,620 0.097,621 -0.1,622 0.103,623 0.074,624 0.045,625 -0.07,626 0.051,627 0.055,628 -0.034,629 0.047,630 0.009,631 0.117,632 0.002,633 0.09,634 -0.024,635 0.067,636 0.016,637 -0.017,638 0.069,639 -0.165,640 -0.085,641 -0.085,642 -0.046,643 -0.187,644 -0.075,645 0.07,646 -0.169,647 -0.456,648 -0.295,649 -0.072,650 -0.44,651 -0.002,652 -0.39,653 -0.324,654 -0.503,655 -0.063,656 -0.415,657 1.669,658 5.294,659 0.952,660 14.304,661 1.023,662 1.11,663 0.888,664 0.789,665 0.707,666 3.219,667 3.555,668 3.892,669 4.205,670 4.394,671 4.554,672 4.71,673 4.812,674 4.836,675 4.82,676 4.783,677 0.683,678 303.36,679 3.219,680 4.762,681 5.638,682 6.532,683 7.427,684 8.331,685 9.233,686 10.142,687 11.049,688 11.96,689 2.9,692 1,704 4,707 1,708 1,709 4,711 10,716 1,729 1,731 34,733 12,735 24,737 37,738 15,739 8,742 3,746 4,747 5,761 11,762 4,766 2,771 1,773 1,775 2,777 1,778 1,780 1,781 13,782 5,784 6,785 1,790 1,794 0.75,795 4,811 2,812 2,815 1,831 1,836 1,839 1,840 3,842 1,848 21,854 4,856 2,859 1,865 1,870 11.8,873 1,874 1,875 2,877 9.833,878 6.2,879 4.556,880 2.028,881 2.184,882 1.306,883 1.019,884 3.41,885 9.319,886 3.466,887 4.034,888 4.642,889 5.23,890 5.554,891 6.023,892 6.392,893 6.722,894 6.947,895 7.038,896 1,897 32,898 7.783,900 3.408,901 7.754,902 14.876,904 12.518,905 2.254,906 47.333,907 0.001,910 153.024,911 117.675,912 3.124,914 56.652,916 31.278,917 86.398,918 209.676,919 3.124,921 13.396,922 50.081,923 41.278,924 40.061,925 36.672,926 148.989,928 153.024,929 89.522,930 56.652,931 31.278,933 153.024,934 45.652,935 11,937 16.52,938 63.525,939 9.476,940 31.278,941 153.024,942 59.776,943 117.675,946 153.024,947 67.595,948 53.205,950 56.652,951 153.024,952 59.776,953 117.675,955 0.58,956 0.351,957 0.201,958 0.102,959 19,960 7,961 0.054,962 2,963 1,964 1.1,965 3.384,966 173.063,967 0.1,968 20,969 88.239,970 1,974 13.249,975 5.405,976 2.351,978 59.776,979 7.068,982 5.122,983 1.403,984 3.095,987 330.476,988 31,993 12.294,995 1.573,997 0.608,999 34.789,1000 37.747,1001 0.337,1002 0.748,1003 0.873,1004 0.884,1005 0.884,1006 0.884,1007 4.714,1008 1,1009 5.617,1010 2.932,1011 4.234,1012 4.718,1013 1.724,1014 6.46,1015 4.115,1016 5.902,1017 0.939,1018 7.188,1019 2.283,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.635,1025 7.208,1026 0.652,1027 8.865,1028 2.136,1029 5.844,1030 6.864,1031 1.676,1032 10.567,1033 5.629,1034 8.554,1035 0.618,1036 10.607,1037 1.711,1038 6.275,1039 7.534,1040 0.424,1041 12.386,1042 6.044,1043 9.94,1044 -0.278,1045 12.391,1046 1.372,1047 7.772,1048 9.337,1049 1.733,1050 15.037,1051 7.467,1052 11.352,1053 -0.55,1054 14.203,1055 -0.725,1056 8.603,1057 10.429,1058 0.581,1059 17.193,1060 8.266,1061 12.784,1062 -0.874,1063 16.034,1064 -1.353,1065 9.879,1066 11.999,1067 1.843,1068 19.682,1069 9.481,1070 3.244,1071 -1,1072 17.88,1073 -2.263,1074 10.89,1075 13.284,1076 0.788,1077 21.981,1078 10.449,1079 2.806,1080 11.297,1081 19.736,1082 -2.347,1083 12.084,1084 14.768,1085 1.986,1086 24.417,1087 11.588,1088 2.558,1089 9.122,1090 21.601,1091 4.282,1092 13.176,1093 16.14,1094 1.027,1095 26.779,1096 12.633,1097 2,1098 8.293,1099 23.472,1100 3.561,1101 14.343,1102 17.594,1103 2.153,1104 29.199,1105 13.747,1106 1.819,1107 5.751,1108 25.348,1109 3.166,1110 15.473,1111 19.006,1112 1.284,1113 31.591,1114 14.827,1115 1.354,1116 4.671,1117 27.23,1118 2.674,1119 16.633,1120 20.453,1121 2.337,1122 34.008,1123 15.936,1124 1.248,1125 3.523,1126 29.115,1127 2.016,1128 17.781,1129 21.884,1130 1.553,1131 36.415,1132 17.033,1133 4075,1134 7226,1135 16.701,1136 24.04,1137 37.082,1138 37.448,1139 36.623,1140 36.49,1141 36.475,1142 46.186,1143 5.281,1144 106.184,1145 34.141,1146 5.591,1147 5.648,1148 6.625,1149 5.332,1150 5.244,1151 7.036,1152 2.22,1153 18.663,1154 5.066,1155 5.297,1156 1.545,1157 1.56,1158 1.526,1159 1.52,1160 1.52,1161 1.924,1162 0.22,1163 4.424,1164 1.423,1165 4.04,1166 4.037,1167 4.277,1168 4.012,1169 7.428,1170 3.974,1171 3.822,1172 3.855,1173 3.776,1174 3.647,1175 5.105,1176 3.666,1177 3.695,1178 3.707,1179 3.703,1180 3.541,1181 4.812,1182 3.534,1183 3.32,1184 3.332,1185 3.368,1186 3.214,1187 4.599,1188 3.201,1189 3.111,1190 3.206,1191 2.903,1192 2.941,1193 4.232,1194 2.91,1195 2.913,1196 2.926,1197 2.866,1198 2.62,1199 3.68,1200 2.664,1201 2.587,1202 2.618,1203 2.676,1204 2.393,1205 3.525,1206 2.347,1207 2.495,1208 2.572,1209 2.344,1210 2.268,1211 3.474,1212 2.266,1213 0.191,1214 0.152,1215 0.284,1216 0.175,1217 0.135,1218 4.591,1219 0.178,1220 3.648,1221 0.047,1222 6.823,1223 0.471,1224 4.193,1225 0.128,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.084,1231 1.791,1232 1.774,1233 1.937,1234 1.995,1235 1.206,1236 1.978,1237 1.653,1238 1.624,1239 1.761,1240 1.791,1241 0.935,1242 1.777,1243 1.541,1244 1.531,1245 1.608,1246 1.636,1247 0.825,1248 1.653,1249 1.273,1250 1.26,1251 1.513,1252 1.573,1253 0.76,1254 1.524,1255 1.153,1256 1.082,1257 1.439,1258 1.376,1259 0.432,1260 1.429,1261 1.081,1262 1.064,1263 1.155,1264 1.178,1265 0.345,1266 1.226,1267 0.933,1268 0.907,1269 1.079,1270 1.123,1271 0.212,1272 1.118,1273 0.641,1274 0.595,1275 0.897,1276 0.889,1277 0.131,1278 0.93,1279 3.892,1281 5.22,1282 3.045,1283 6.749,1284 5.283,1285 8.371,1286 7.31,1287 10.046,1295 2.777,1297 11.351,1300 2.043,1305 23.229,1306 58.265,1307 129.364,1308 150.974,1309 152.974,1310 152.974,1311 152.974,1312 28.312,1313 7.134,1314 55.82,1315 84.06,1316 22,1317 12.475,1318 3.7,1319 3,1320 27.855,1321 60,1322 58,1323 0.234,1324 141.428,1325 245.65,1326 336.844,1327 10731,1329 14.234,1330 0.678,1331 0.572,1332 14.587,1333 12.02,1334 10.326,1335 0.43,1336 0.317,1337 6.669,1338 9.317,1339 6.506,1340 5.282,1341 10.781,1342 7.613,1343 9.22,1344 0.271,1345 0.169,1346 9.745,1347 5.748,1348 8.235,1349 0.172,1350 0.095,1351 9.005,1352 4.561,1353 7.246,1354 0.11,1355 0.052,1356 8.096,1357 3.399,1358 5.44,1359 0.068,1360 0.027,1361 6.162,1362 2.157,1363 0.352,1364 70.469,1365 0.245,1366 20.376,1367 0.69,1368 116,1369 395.448,1370 152.876,1371 383.266,1372 522.43,1373 362,1374 140,1375 366.217,1376 178.389,1377 377.449,1378 560.89,1379 355,1380 5.731}
{0 CHEMBL2322228,1 1.663,2 9.923,3 3.082,4 9.496,5 98.456,6 8.638,7 0.367,8 3.924,9 3.991,10 3.67,11 3.488,12 5.004,13 3.483,14 4.5,15 4.616,16 4.055,17 3.889,18 5.577,19 3.876,20 4.697,21 4.845,22 4.144,23 3.977,24 5.774,25 3.952,26 4.623,27 4.768,28 3.999,29 3.966,30 5.724,31 3.897,32 4.628,33 4.811,34 3.912,35 3.904,36 5.618,37 3.816,38 4.508,39 4.66,40 3.946,41 3.827,42 5.628,43 3.765,44 4.42,45 4.535,46 3.884,47 3.768,48 5.624,49 3.687,50 4.349,51 4.508,52 3.626,53 3.626,54 5.392,55 3.511,56 0.102,57 0.581,58 7.314,59 4.389,60 5.8,61 4.506,62 0.459,63 1.012,64 17.999,65 7.626,66 23.32,67 7.501,68 0.73,69 1.197,70 24.581,71 9.281,72 37.156,73 9.545,74 0.537,75 1.119,76 21.117,77 9.382,78 36.319,79 10.242,80 0.552,81 1.136,82 25.219,83 9.72,84 35.324,85 11.12,86 0.498,87 0.999,88 21.045,89 8.52,90 37.749,91 9.021,92 0.542,93 0.94,94 20.986,95 8.175,96 45.364,97 7.79,98 0.418,99 0.886,100 22.49,101 8.161,102 28.513,103 8.567,104 2,105 43,106 0.288,107 0.626,108 0.752,109 0.812,110 0.82,111 0.828,112 3.305,113 0.945,114 -2.77,115 -2.78,116 -2.69,119 44.2,125 6,135 1,139 1,142 3,143 2,144 3,151 1,152 1,157 1,172 4,174 1,175 6,183 5,186 2,187 7,195 4,198 2,199 7,207 3,211 1,212 6,220 2,223 1,224 5,232 2,236 2,237 4,245 1,249 2,250 3,262 2,263 3,275 964,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 16.596,282 21.253,283 10.693,284 18.926,285 14.852,286 14.852,287 14.852,288 14.852,289 14.852,290 12.265,291 25.959,292 5.103,293 16.096,294 3.763,295 1.817,296 1.087,297 0.744,298 0.698,299 0.651,300 4.023,303 1,304 1,305 1,306 585,307 2.121,310 49.295,311 249.74,314 90.056,315 100.492,318 1.473,319 28.862,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.5,331 258,332 4.599,333 3.648,334 6.827,335 4.202,336 3.251,337 4.298,338 1.138,339 11.315,340 3.094,341 4.27,342 3.265,343 6.239,344 3.874,345 2.927,346 3.873,347 0.86,348 9.388,349 2.777,350 4.001,351 3.175,352 6.112,353 3.663,354 2.744,355 3.34,356 0.86,357 8.949,358 2.526,359 3.728,360 2.994,361 5.911,362 3.431,363 2.457,364 2.98,365 0.86,366 8.12,367 2.361,368 3.25,369 2.428,370 5.059,371 2.837,372 1.857,373 2.44,374 0.643,375 5.609,376 1.799,377 2.98,378 2.254,379 4.537,380 2.701,381 1.818,382 2.061,384 4.671,385 1.594,386 2.923,387 2.168,388 4.431,389 2.53,390 1.618,391 2,393 4.377,394 1.469,395 2.596,396 1.832,397 4.098,398 2.335,399 1.416,400 1.619,402 3.257,403 1.286,404 2.509,405 1.743,406 3.754,407 2.09,408 1.265,409 1.495,411 2.952,412 1.035,413 2.392,414 1.272,415 3.606,416 2.003,417 1.061,418 1.345,420 2.806,421 0.985,422 2.181,423 1.256,424 3.444,425 1.952,426 1,427 1.068,428 2.15,429 0.946,430 2,431 1.185,432 3.247,433 1.704,434 0.841,435 1,436 2.136,437 0.703,438 1.867,439 0.965,440 3.163,441 1.526,442 0.628,443 0.757,445 1.51,446 0.556,447 1.237,448 0.435,449 2.716,450 0.714,451 -0.224,452 -0.285,454 -0.577,455 -0.2,456 0.867,457 -0.006,458 2.675,459 0.52,460 -0.443,461 -0.566,463 -1.141,464 -0.416,465 12.4,466 0.477,467 0.551,468 0.021,469 32.5,470 1.25,471 14.5,472 0.558,473 18,474 0.692,475 21.6,476 0.831,477 27.8,478 0.647,479 22.812,480 0.877,481 6.345,482 0.244,483 6.448,484 0.248,485 0.027,487 0.355,493 0.818,494 1.221,495 0.656,496 1.005,497 0.6,498 0.883,499 1.245,500 0.925,501 0.913,502 0.845,503 0.789,504 0.794,505 1.192,506 0.84,507 0.846,508 0.814,509 0.983,510 0.813,511 0.896,512 1.036,513 0.947,514 1.003,515 0.828,516 1.057,517 0.832,518 0.993,519 0.955,520 0.982,521 0.891,522 0.962,523 0.971,524 1.002,525 0.947,526 1.006,527 1.521,528 0.949,529 1.035,530 1.232,531 1.477,532 1.397,533 1.835,534 1.228,535 0.741,536 1.319,537 1.559,538 1.592,539 0.802,540 1.331,541 4,542 0.049,543 3.111,544 1.347,545 1.481,546 0.938,547 0.557,548 0.297,549 0.194,550 0.123,551 8309,552 23571,553 2.241,554 39.5,556 16,557 1,564 1.693,565 2.167,566 3.306,567 -0.722,568 1,569 1,573 71.522,574 1.663,575 3.609,576 4.339,577 4.682,578 4.729,579 4.775,580 2.73,581 4.47,582 4.672,583 3.407,584 1107.18,585 8.109,586 13290.6,588 1,590 1,591 233.329,592 1.142,593 4.66,594 0.133,595 0.004,596 0.072,597 0.031,598 0.038,599 0.027,600 0.016,601 0.01,602 0.008,603 0.007,604 0.345,605 0.5,606 0.88,607 0.362,608 125.252,609 -0.05,610 -0.179,611 0.08,612 -0.064,613 -0.024,614 -0.008,615 -0.181,616 0.123,617 -0.017,618 0.106,619 -0.052,620 0.092,621 -0.08,622 0.167,623 0.071,624 0.116,625 -0.049,626 0.107,627 -0.002,628 -0.064,629 -0.058,630 -0.043,631 0.055,632 -0.099,633 0.013,634 -0.028,635 0.047,636 0.024,637 -0.023,638 0.054,639 -0.012,640 -0.016,641 0.065,642 0.016,643 -0.082,644 0.026,645 0.006,646 -0.179,647 -0.258,648 -0.229,649 -0.134,650 -0.277,651 0.098,652 -0.287,653 -0.273,654 -0.391,655 0.059,656 -0.303,657 1.679,658 5.567,659 0.962,660 21.55,661 1.021,662 1.111,663 1.535,664 2.357,665 0.698,666 3.434,667 3.784,668 4.127,669 4.443,670 4.718,671 4.852,672 5.05,673 5.226,674 5.361,675 5.442,676 5.787,677 0.674,678 371.44,679 3.434,680 4.99,681 5.872,682 6.77,683 7.667,684 8.572,685 9.477,686 10.386,687 11.294,688 12.206,689 2.3,692 1,704 4,708 1,709 6,711 11,716 1,729 3,731 43,733 13,734 1,735 30,737 47,738 19,739 10,740 3,741 3,742 3,746 5,747 7,761 13,762 6,766 2,771 1,773 1,775 2,777 1,778 1,781 17,782 6,784 7,785 1,790 1,794 0.6,795 5,811 1,812 4,815 1,816 1,831 1,836 1,839 1,840 3,842 1,848 26,854 6,856 4,859 1,865 1,870 11.6,873 1,874 1,875 3,877 12,878 7.867,879 5.583,880 2.646,881 2.624,882 1.326,883 1.024,884 4.287,885 10.683,886 3.651,887 4.23,888 4.841,889 5.428,890 5.924,891 6.326,892 6.751,893 7.164,894 7.52,895 7.802,896 0.857,897 44,898 9.669,900 4.273,901 7.699,902 18.593,904 15.825,905 2.199,906 57.167,909 1,910 200.109,911 132.821,912 3.124,914 69.144,916 31.278,917 101.543,918 269.253,919 3.124,921 22.581,922 45.554,923 41.278,924 63.04,925 13.13,926 219.615,928 200.109,929 104.667,930 69.144,931 31.278,933 200.109,934 58.145,935 11,937 25.705,938 69.486,939 9.476,940 31.278,941 200.109,942 72.269,943 132.821,946 200.109,947 87.267,948 48.678,950 69.144,951 200.109,952 72.269,953 132.821,955 0.585,956 0.353,957 0.2,958 0.111,959 24,960 9,961 0.043,962 2,963 2,964 1.16,965 3.849,966 237.593,967 0.16,968 25,969 118.211,970 1,974 16.447,975 6.777,976 3.004,978 72.269,979 7.773,983 1.407,984 4.569,987 405.198,988 37.5,993 12.567,995 1.581,997 0.588,999 43.884,1000 47.787,1001 0.307,1002 0.665,1003 0.8,1004 0.863,1005 0.871,1006 0.88,1007 4.918,1008 1.416,1009 5.855,1010 4.377,1011 4.466,1012 4.916,1013 2.148,1014 6.701,1015 4.323,1016 6.107,1017 1.265,1018 7.428,1019 3.257,1020 4.007,1021 4.718,1022 0.325,1023 7.644,1024 3.861,1025 7.42,1026 1.061,1027 9.105,1028 2.952,1029 6.084,1030 7.077,1031 2.019,1032 10.788,1033 5.835,1034 8.77,1035 1,1036 10.843,1037 2.806,1038 6.494,1039 7.76,1040 0.424,1041 12.579,1042 6.231,1043 10.157,1044 0.841,1045 12.621,1046 2.15,1047 8.007,1048 9.568,1049 1.984,1050 15.223,1051 7.663,1052 11.57,1053 0.628,1054 14.426,1055 2.136,1056 8.815,1057 10.647,1058 0.581,1059 17.354,1060 8.441,1061 13.002,1062 -0.224,1063 16.25,1064 1.51,1065 10.101,1066 12.235,1067 2.016,1068 19.831,1069 9.663,1070 3.251,1071 -0.443,1072 18.087,1073 -0.577,1074 11.094,1075 13.5,1076 0.788,1077 22.11,1078 10.616,1079 2.927,1080 11.315,1081 19.934,1082 -1.141,1083 12.29,1084 14.998,1085 2.101,1086 24.534,1087 11.757,1088 2.744,1089 9.388,1090 21.79,1091 4.298,1092 13.368,1093 16.351,1094 1.027,1095 26.882,1096 12.79,1097 2.457,1098 8.949,1099 23.653,1100 3.873,1101 14.531,1102 17.813,1103 2.227,1104 29.291,1105 13.903,1106 1.857,1107 8.12,1108 25.521,1109 3.34,1110 15.65,1111 19.21,1112 1.284,1113 31.673,1114 14.975,1115 1.818,1116 5.609,1117 27.393,1118 2.98,1119 16.805,1120 20.659,1121 2.383,1122 34.082,1123 16.082,1124 1.618,1125 4.671,1126 29.27,1127 2.44,1128 17.943,1129 22.079,1130 1.553,1131 36.482,1132 17.174,1133 7564,1134 12884,1135 20.978,1136 30.017,1137 46.095,1138 47.457,1139 46.325,1140 45.689,1141 45.766,1142 56.552,1143 8.721,1144 134.477,1145 42.264,1146 5.599,1147 5.648,1148 6.628,1149 5.342,1150 5.251,1151 7.298,1152 2.22,1153 18.699,1154 5.094,1155 6.238,1156 1.536,1157 1.582,1158 1.544,1159 1.523,1160 1.526,1161 1.885,1162 0.291,1163 4.483,1164 1.409,1165 4.053,1166 4.053,1167 4.277,1168 4.028,1169 7.428,1170 3.995,1171 3.866,1172 3.886,1173 3.864,1174 3.759,1175 4.972,1176 3.755,1177 3.735,1178 3.762,1179 3.707,1180 3.566,1181 4.814,1182 3.567,1183 3.461,1184 3.498,1185 3.377,1186 3.277,1187 4.606,1188 3.289,1189 3.298,1190 3.323,1191 3.306,1192 3.19,1193 4.354,1194 3.17,1195 3.111,1196 3.206,1197 2.923,1198 2.941,1199 4.216,1200 2.91,1201 2.931,1202 2.953,1203 2.866,1204 2.761,1205 4.12,1206 2.753,1207 2.88,1208 2.911,1209 2.786,1210 2.67,1211 3.678,1212 2.677,1213 0.153,1214 0.122,1215 0.228,1216 0.14,1217 0.108,1218 4.599,1219 0.143,1220 3.648,1221 0.038,1222 6.827,1223 0.377,1224 4.202,1225 0.103,1226 3.251,1227 4.298,1228 1.138,1229 11.315,1230 3.094,1231 1.921,1232 1.911,1233 2.002,1234 2.034,1235 1.207,1236 2.02,1237 1.772,1238 1.748,1239 1.932,1240 1.984,1241 1.145,1242 1.97,1243 1.579,1244 1.554,1245 1.714,1246 1.764,1247 0.953,1248 1.745,1249 1.463,1250 1.44,1251 1.642,1252 1.647,1253 0.825,1254 1.662,1255 1.261,1256 1.233,1257 1.513,1258 1.376,1259 0.795,1260 1.429,1261 1.153,1262 1.064,1263 1.346,1264 1.336,1265 0.566,1266 1.381,1267 1.003,1268 0.992,1269 1.108,1270 1.152,1271 0.347,1272 1.154,1273 0.851,1274 0.805,1275 1.079,1276 1.071,1277 0.178,1278 1.078,1279 4.111,1281 5.451,1282 2.398,1283 7.002,1284 4.727,1285 8.646,1286 6.862,1287 10.338,1295 3.819,1297 22.812,1300 2.051,1305 28.997,1306 71.522,1307 155.19,1308 186.574,1309 201.329,1310 203.329,1311 205.329,1312 36.878,1313 8.059,1314 61.14,1315 89.38,1316 29,1317 12.721,1318 3.807,1319 3.087,1320 33.81,1321 89,1322 88,1323 0.185,1324 173.473,1325 308.64,1326 415.033,1327 36257,1329 17.51,1330 0.673,1331 0.571,1332 17.863,1333 14.843,1334 12.793,1335 0.426,1336 0.315,1337 8.476,1338 11.663,1339 8.295,1340 6.701,1341 13.247,1342 9.455,1343 11.554,1344 0.269,1345 0.165,1346 12.078,1347 7.094,1348 10.416,1349 0.171,1350 0.092,1351 11.185,1352 5.582,1353 9.159,1354 0.109,1355 0.05,1356 10.009,1357 4.192,1358 7.669,1359 0.069,1360 0.026,1361 8.383,1362 2.875,1363 0.285,1364 86.083,1365 0.218,1366 24.748,1367 0.528,1368 146,1369 483.183,1370 187.083,1371 461.372,1372 634.77,1373 438,1374 177,1375 451.671,1376 219.929,1377 459.784,1378 689.61,1379 435,1380 7.469}
{0 CHEMBL2322229,1 1.637,2 9.167,3 3.279,4 10.754,5 93.962,6 8.376,7 0.407,8 3.849,9 3.926,10 3.572,11 3.428,12 4.946,13 3.406,14 4.4,15 4.53,16 3.934,17 3.812,18 5.469,19 3.778,20 4.569,21 4.72,22 4.029,23 3.902,24 5.632,25 3.859,26 4.573,27 4.73,28 3.93,29 3.91,30 5.675,31 3.83,32 4.594,33 4.787,34 3.859,35 3.856,36 5.587,37 3.762,38 4.458,39 4.608,40 3.875,41 3.792,42 5.594,43 3.715,44 4.386,45 4.529,46 3.696,47 3.718,48 5.553,49 3.599,50 4.285,51 4.464,52 3.404,53 3.518,54 5.325,55 3.374,56 0.057,57 0.548,58 7.492,59 4.166,60 5.26,61 4.524,62 0.356,63 0.935,64 17.502,65 7.08,66 20.948,67 7.417,68 0.446,69 1.086,70 21.81,71 8.379,72 26.172,73 9.052,74 0.427,75 1.073,76 21.256,77 9.082,78 34.588,79 10.333,80 0.479,81 1.099,82 25.455,83 9.46,84 34.454,85 10.997,86 0.412,87 0.959,88 20.369,89 8.174,90 35.782,91 8.794,92 0.39,93 0.924,94 21.806,95 8.228,96 42.654,97 8.372,98 0.393,99 0.834,100 23.138,101 7.84,102 30.432,103 8.436,104 6,105 38,106 0.288,107 0.644,108 0.802,109 0.836,110 0.836,111 0.836,112 3.23,113 0.963,114 -3.04,115 -3.04,116 -2.93,119 43.9,124 1,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,172 5,174 1,175 6,183 7,186 1,187 5,195 5,198 2,199 6,207 4,211 1,212 5,220 2,223 1,224 6,232 3,236 1,237 3,245 1,249 2,250 5,258 1,263 2,275 792,276 16.662,277 16.662,278 16.662,279 16.662,280 16.662,281 15.105,282 17.572,283 9.822,284 17.346,285 13.291,286 13.291,287 13.291,288 13.291,289 13.291,290 10.746,291 21.026,292 4.598,293 14.292,294 3.721,295 1.697,296 0.799,297 0.604,298 0.604,299 0.604,300 3.93,303 1,304 1,305 1,306 482,307 2.236,310 47.856,311 194.015,314 86.919,318 1.361,319 23.635,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 220,332 4.593,333 3.648,334 6.825,335 4.196,336 3.246,337 4.286,338 1.138,339 11.307,340 3.087,341 4.142,342 3.18,343 6.171,344 3.778,345 2.825,346 3.671,347 0.86,348 9.153,349 2.713,350 3.907,351 3.063,352 5.976,353 3.563,354 2.624,355 3.252,356 0.86,357 8.4,358 2.433,359 3.622,360 2.804,361 5.367,362 3.274,363 2.304,364 2.87,365 0.643,366 6.834,367 2.22,368 3.18,369 2.403,370 4.947,371 2.765,372 1.821,373 2.358,375 5.34,376 1.722,377 2.979,378 2.19,379 4.537,380 2.7,381 1.789,382 2.001,384 4.67,385 1.594,386 2.713,387 1.764,388 4.068,389 2.247,390 1.286,391 1.793,393 3.145,394 1.234,395 2.565,396 1.423,397 3.754,398 2.083,399 1.241,400 1.578,402 2.91,403 1.027,404 2.374,405 1.261,406 3.482,407 1.952,408 1,409 1.305,411 2.486,412 0.946,413 2.173,414 1.256,415 3.442,416 1.931,417 1,418 1.04,420 2.136,421 0.918,422 2,423 1.015,424 3.247,425 1.668,426 0.78,427 1,428 2.089,429 0.67,430 1.583,431 0.933,432 2.725,433 1.293,434 0.427,435 0.48,436 0.621,437 0.366,438 1.235,439 0.415,440 2.693,441 0.698,442 -0.25,443 -0.328,445 -0.649,446 -0.225,447 0.782,448 -0.198,449 2.613,450 0.45,451 -0.52,452 -0.643,454 -1.302,455 -0.504,456 0.591,457 -0.36,458 2.336,459 0.272,460 -0.677,461 -0.803,463 -1.475,464 -0.636,465 11.567,466 0.482,467 0.5,468 0.021,469 30,470 1.25,471 14,472 0.583,473 16,474 0.667,475 19.293,476 0.804,477 25.633,478 0.625,479 21.048,480 0.877,481 6.009,482 0.25,483 5.749,484 0.24,485 0.072,487 0.337,493 0.799,494 1.217,495 0.683,496 0.997,497 0.592,498 0.903,499 1.238,500 0.865,501 0.912,502 0.793,503 0.763,504 0.759,505 1.166,506 0.917,507 0.844,508 0.886,509 0.991,510 0.868,511 0.887,512 1.037,513 0.909,514 0.997,515 0.812,516 1.03,517 0.923,518 0.946,519 0.93,520 0.93,521 0.909,522 0.896,523 1.054,524 1.046,525 1.005,526 1.048,527 1.602,528 1.013,529 1.111,530 1.241,531 1.581,532 1.409,533 1.857,534 1.267,535 0.793,536 1.305,537 1.695,538 1.627,539 0.805,540 1.352,541 4,542 0.033,543 2.667,544 1.41,545 1.268,546 0.917,547 0.532,548 0.286,549 0.145,550 0.078,551 6152,552 17554,553 2.161,554 41.5,556 16,557 1,564 1.673,565 2.057,566 3.204,567 -0.74,568 1,569 1,571 1,573 67.114,574 1.637,575 3.661,576 4.559,577 4.754,578 4.754,579 4.754,580 2.669,581 4.335,582 4.555,583 3.291,584 908.409,585 7.886,586 10314.2,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.148,595 0.004,596 0.07,597 0.036,598 0.035,599 0.028,600 0.017,601 0.011,602 0.008,603 0.006,604 0.363,605 0.5,606 1,607 0.681,608 112.104,609 -0.033,610 -0.169,611 0.08,612 -0.052,613 -0.025,614 -0.009,615 -0.155,616 0.193,617 0.011,618 0.166,619 -0.034,620 0.14,621 -0.095,622 0.105,623 0.064,624 0.049,625 -0.066,626 0.05,627 0.05,628 -0.069,629 -0.01,630 -0.04,631 0.085,632 -0.071,633 0.018,634 0.014,635 0.078,636 0.069,637 -0.013,638 0.104,639 -0.014,640 -0.057,641 0.002,642 -0.032,643 -0.108,644 -0.058,645 -0.09,646 -0.197,647 -0.344,648 -0.243,649 -0.154,650 -0.295,651 0.104,652 -0.277,653 -0.367,654 -0.418,655 0.087,656 -0.325,657 1.67,658 5.478,659 0.875,660 18.917,661 1.014,662 1.112,663 1.807,664 3.265,665 0.697,666 3.332,667 3.664,668 3.989,669 4.29,670 4.543,671 4.673,672 4.844,673 4.977,674 5.043,675 5.1,676 5.402,677 0.665,678 343.43,679 3.332,680 4.875,681 5.746,682 6.637,683 7.528,684 8.429,685 9.328,686 10.235,687 11.139,688 12.049,689 2.4,692 1,704 5,708 1,709 5,711 11,716 1,729 2,731 41,733 13,734 1,735 27,737 44,738 18,739 10,740 2,741 4,742 3,746 4,747 5,761 13,762 5,766 2,771 1,773 1,775 2,777 1,778 1,781 17,782 5,784 6,785 1,790 1,794 0.75,795 4,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 1,848 24,854 4,856 3,859 1,865 1,870 9.8,873 1,874 1,875 2,877 11.667,878 7.783,879 5.306,880 2.403,881 2.521,882 1.338,883 0.999,884 4.395,885 9.99,886 3.57,887 4.139,888 4.742,889 5.325,890 5.799,891 6.171,892 6.573,893 6.953,894 7.242,895 7.509,896 1,897 39,898 8.896,900 3.828,901 7.708,902 17.065,904 14.15,905 2.208,906 53,909 1,910 200.109,911 138.752,912 3.124,914 58.145,916 31.278,917 107.474,918 258.253,919 3.124,920 10.883,921 13.396,922 55.03,923 41.278,924 46.797,925 13.13,926 219.615,928 200.109,929 110.598,930 58.145,931 31.278,933 200.109,934 47.145,935 11,937 16.52,938 84.602,939 9.476,940 31.278,941 200.109,942 61.269,943 138.752,946 200.109,947 72.838,948 69.038,950 58.145,951 200.109,952 61.269,953 138.752,955 0.577,956 0.35,957 0.196,958 0.109,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.603,966 205.972,967 0.095,968 21,969 106.039,970 1,974 15.817,975 6.668,976 3.026,978 61.269,979 9.733,983 1.414,984 3.953,987 400.129,988 34.5,993 12.478,995 1.583,997 0.607,999 41.556,1000 45.578,1001 0.306,1002 0.683,1003 0.851,1004 0.887,1005 0.887,1006 0.887,1007 4.818,1008 1.241,1009 5.727,1010 3.145,1011 4.344,1012 4.824,1013 1.958,1014 6.564,1015 4.215,1016 6.009,1017 1,1018 7.296,1019 2.91,1020 3.892,1021 4.59,1022 0.325,1023 7.506,1024 3.754,1025 7.317,1026 1,1027 8.969,1028 2.486,1029 5.953,1030 6.978,1031 1.862,1032 10.643,1033 5.728,1034 8.663,1035 0.78,1036 10.703,1037 2.136,1038 6.365,1039 7.619,1040 0.424,1041 12.437,1042 6.117,1043 10.045,1044 0.427,1045 12.478,1046 2.089,1047 7.867,1048 9.451,1049 1.867,1050 15.085,1051 7.552,1052 11.452,1053 -0.25,1054 14.28,1055 0.621,1056 8.675,1057 10.498,1058 0.581,1059 17.226,1060 8.323,1061 12.879,1062 -0.52,1063 16.102,1064 -0.649,1065 9.955,1066 12.101,1067 1.933,1068 19.713,1069 9.549,1070 3.246,1071 -0.677,1072 17.939,1073 -1.302,1074 10.949,1075 13.347,1076 0.788,1077 22.005,1078 10.499,1079 2.825,1080 11.307,1081 19.787,1082 -1.475,1083 12.144,1084 14.855,1085 2.045,1086 24.439,1087 11.644,1088 2.624,1089 9.153,1090 21.645,1091 4.286,1092 13.225,1093 16.199,1094 1.027,1095 26.799,1096 12.677,1097 2.304,1098 8.4,1099 23.51,1100 3.671,1101 14.391,1102 17.668,1103 2.191,1104 29.218,1105 13.794,1106 1.821,1107 6.834,1108 25.382,1109 3.252,1110 15.514,1111 19.062,1112 1.284,1113 31.609,1114 14.867,1115 1.789,1116 5.34,1117 27.26,1118 2.87,1119 16.673,1120 20.515,1121 2.36,1122 34.026,1123 15.977,1124 1.286,1125 4.67,1126 29.142,1127 2.358,1128 17.817,1129 21.936,1130 1.553,1131 36.433,1132 17.071,1133 5839,1134 9989,1135 18.493,1136 28.563,1137 40.996,1138 42.276,1139 41.707,1140 40.586,1141 40.688,1142 51.269,1143 7.001,1144 118.183,1145 37.861,1146 5.593,1147 5.648,1148 6.627,1149 5.334,1150 5.246,1151 7.286,1152 2.22,1153 18.687,1154 5.087,1155 8.681,1156 1.518,1157 1.566,1158 1.545,1159 1.503,1160 1.507,1161 1.899,1162 0.259,1163 4.377,1164 1.402,1165 4.043,1166 4.045,1167 4.276,1168 4.026,1169 7.428,1170 3.99,1171 3.839,1172 3.871,1173 3.806,1174 3.744,1175 4.921,1176 3.734,1177 3.718,1178 3.741,1179 3.706,1180 3.563,1181 4.779,1182 3.56,1183 3.357,1184 3.376,1185 3.37,1186 3.235,1187 4.603,1188 3.232,1189 3.225,1190 3.287,1191 3.091,1192 2.966,1193 4.381,1194 2.97,1195 3.111,1196 3.206,1197 2.922,1198 2.941,1199 4.188,1200 2.91,1201 2.93,1202 2.948,1203 2.866,1204 2.771,1205 3.68,1206 2.747,1207 2.782,1208 2.849,1209 2.743,1210 2.617,1211 3.583,1212 2.605,1213 0.17,1214 0.135,1215 0.253,1216 0.155,1217 0.12,1218 4.593,1219 0.159,1220 3.648,1221 0.042,1222 6.825,1223 0.419,1224 4.196,1225 0.114,1226 3.246,1227 4.286,1228 1.138,1229 11.307,1230 3.087,1231 1.915,1232 1.898,1233 2.007,1234 2.013,1235 1.207,1236 2.006,1237 1.77,1238 1.745,1239 1.932,1240 1.969,1241 1.12,1242 1.964,1243 1.575,1244 1.551,1245 1.67,1246 1.75,1247 0.825,1248 1.731,1249 1.353,1250 1.347,1251 1.573,1252 1.528,1253 0.803,1254 1.546,1255 1.177,1256 1.106,1257 1.513,1258 1.376,1259 0.613,1260 1.429,1261 1.153,1262 1.064,1263 1.385,1264 1.365,1265 0.551,1266 1.41,1267 1.008,1268 0.996,1269 1.085,1270 1.153,1271 0.349,1272 1.156,1273 0.8,1274 0.733,1275 1.079,1276 0.985,1277 0.165,1278 1.026,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.727,1285 8.496,1286 6.862,1287 10.173,1289 1.64,1295 2.752,1297 16.787,1300 2.053,1305 27.282,1306 67.114,1307 150.096,1308 186.905,1309 194.905,1310 194.905,1311 194.905,1312 34.722,1313 7.469,1314 51.91,1315 80.15,1316 23,1317 12.565,1318 3.807,1319 3.087,1320 33.689,1321 76,1322 81,1323 0.218,1324 167.277,1325 294.91,1326 399.917,1327 16705,1329 16.518,1330 0.688,1331 0.587,1332 16.872,1333 14.097,1334 11.758,1335 0.435,1336 0.321,1337 7.711,1338 10.733,1339 7.468,1340 6.116,1341 12.212,1342 8.665,1343 10.377,1344 0.273,1345 0.17,1346 10.901,1347 6.468,1348 9.236,1349 0.174,1350 0.096,1351 10.006,1352 5.11,1353 7.953,1354 0.11,1355 0.052,1356 8.803,1357 3.772,1358 6.492,1359 0.07,1360 0.027,1361 7.206,1362 2.545,1363 0.332,1364 79.175,1365 0.233,1366 23.007,1367 0.63,1368 130,1369 421.448,1370 166.876,1371 410.312,1372 560.6,1373 388,1374 156,1375 392.308,1376 194.057,1377 406.998,1378 603.16,1379 382,1380 7.143}
{0 CHEMBL2322230,1 1.589,2 9.174,3 3.752,4 14.077,5 92.1,6 8.186,7 0.423,8 3.813,9 3.898,10 3.524,11 3.431,12 4.871,13 3.391,14 4.368,15 4.503,16 3.883,17 3.824,18 5.4,19 3.765,20 4.582,21 4.755,22 3.95,23 3.896,24 5.579,25 3.819,26 4.579,27 4.771,28 3.775,29 3.854,30 5.594,31 3.743,32 4.474,33 4.67,34 3.762,35 3.774,36 5.457,37 3.676,38 4.427,39 4.589,40 3.769,41 3.782,42 5.507,43 3.674,44 4.32,45 4.463,46 3.625,47 3.695,48 5.452,49 3.552,50 4.22,51 4.433,52 3.267,53 3.438,54 5.176,55 3.287,56 0.019,57 0.529,58 7.622,59 4.042,60 3.982,61 4.623,62 0.223,63 0.925,64 16.803,65 7.028,66 15.384,67 7.835,68 0.346,69 1.116,70 22.972,71 8.764,72 24.37,73 10.042,74 0.411,75 1.087,76 25.044,77 9.596,78 35.343,79 11.173,80 0.317,81 0.984,82 20.679,83 8.202,84 27.758,85 10.032,86 0.287,87 0.949,88 21.145,89 8.183,90 34.619,91 8.699,92 0.295,93 0.875,94 21.963,95 8.252,96 36.301,97 8.472,98 0.199,99 0.796,100 20.91,101 7.204,102 23.382,103 8.191,104 2,105 36,106 0.281,107 0.629,108 0.762,109 0.796,110 0.808,111 0.808,112 3.189,113 0.992,114 -3.56,115 -3.53,116 -3.37,119 45,121 1,125 4,135 1,139 1,142 5,143 2,144 1,151 1,152 1,157 1,172 8,174 1,175 4,183 10,186 1,187 3,195 9,198 2,199 3,207 5,211 1,212 6,220 4,224 4,232 3,236 1,237 6,245 3,250 6,258 2,263 3,271 1,275 719,276 15.999,277 15.999,278 15.999,279 15.999,280 15.999,281 14.351,282 19.049,283 9.637,284 16.504,285 12.887,286 12.887,287 12.887,288 12.887,289 12.887,290 10.342,291 25.095,292 4.635,293 13.702,294 3.733,295 1.762,296 1.009,297 0.819,298 0.75,299 0.75,300 3.892,303 1,304 1,305 1,306 467,307 2.121,310 46.783,311 189.068,314 84.408,318 1.414,319 20.453,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.5,331 211,332 4.543,333 3.653,334 6.724,335 4.145,336 3.202,337 4.2,338 1.138,339 10.947,340 3.019,341 4.014,342 3.183,343 6.105,344 3.688,345 2.757,346 3.464,347 0.86,348 8.932,349 2.612,350 3.87,351 3.08,352 5.681,353 3.517,354 2.535,355 3.262,356 0.68,357 7.618,358 2.438,359 3.567,360 2.65,361 5.269,362 3.212,363 2.204,364 2.784,365 0.643,366 6.528,367 2.206,368 2.998,369 2.362,370 4.537,371 2.701,372 1.819,373 2.094,375 4.672,376 1.595,377 2.919,378 1.902,379 4.424,380 2.51,381 1.518,382 2.001,384 4.021,385 1.499,386 2.663,387 1.716,388 3.754,389 2.219,390 1.287,391 1.695,393 2.992,394 1.196,395 2.523,396 1.421,397 3.583,398 2.074,399 1.208,400 1.5,402 2.912,403 1.022,404 2.5,405 1.259,406 3.445,407 2,408 1,409 1.494,411 2.214,412 1,413 2.192,414 1.256,415 3.247,416 1.952,417 1,418 1.099,420 2.136,421 0.946,422 2,423 1,424 3.247,425 1.73,426 0.887,427 1,428 2.136,429 0.724,430 1.365,431 0.561,432 2.84,433 0.964,438 1.074,439 0.129,440 2.693,441 0.633,442 -0.345,443 -0.46,445 -0.895,446 -0.327,447 0.623,448 -0.231,449 2.458,450 0.386,451 -0.564,452 -0.656,454 -1.36,455 -0.54,456 0.5,457 -0.36,458 2,459 0.109,460 -0.837,461 -0.938,463 -2.02,464 -0.771,465 11.233,466 0.488,467 0.448,468 0.019,469 28.5,470 1.239,471 13.5,472 0.587,473 15,474 0.652,475 18.458,476 0.803,477 24.167,478 0.604,479 18.625,480 0.81,481 5.616,482 0.244,483 5.694,484 0.248,485 0.03,487 0.303,493 0.756,494 1.155,495 0.695,496 0.947,497 0.559,498 0.887,499 1.119,500 0.965,501 0.931,502 0.893,503 0.703,504 0.878,505 1.125,506 0.976,507 0.861,508 0.945,509 0.958,510 0.952,511 0.979,512 0.966,513 1.037,514 0.999,515 0.813,516 0.983,517 0.869,518 0.951,519 0.748,520 0.85,521 0.936,522 0.888,523 1.436,524 0.923,525 1.211,526 0.993,527 1.987,528 0.977,529 1.134,530 1.293,531 1.73,532 1.524,533 1.54,534 1.305,535 0.901,536 1.229,537 1.425,538 1.404,539 1.054,540 1.192,541 3.5,542 0.016,543 2.222,544 1.194,545 1.147,546 0.705,547 0.407,548 0.274,549 0.116,550 0.024,551 5801,552 15325,553 2.196,554 42.5,555 2,556 14,557 1,564 1.66,565 2.123,566 3.197,567 -0.772,569 1,571 1,573 63.577,574 1.589,575 3.56,576 4.313,577 4.503,578 4.572,579 4.572,580 2.682,581 3.969,582 4.494,583 3.303,584 835.63,585 7.753,586 9295.44,587 1,588 1,589 1,590 1,591 212.877,592 1.121,593 4.483,594 0.135,595 0.002,596 0.062,597 0.034,598 0.037,599 0.024,600 0.014,601 0.011,602 0.007,603 0.002,604 0.327,605 0.5,606 1,607 0.393,608 106.404,609 -0.013,610 -0.126,611 0.08,612 -0.019,613 -0.012,614 0.009,615 -0.082,616 0.088,617 -0.021,618 0.055,619 -0.021,620 0.024,621 -0.031,622 0.03,623 0.055,624 -0.018,625 -0.055,626 -0.023,627 0.071,628 -0.008,629 -0.039,630 -0.01,631 0.102,632 -0.005,633 0.096,634 -0.005,635 0.148,636 0.08,637 0.001,638 0.087,639 -0.234,640 0.084,641 -0.112,642 0.059,643 -0.266,644 -0.026,645 -0.042,646 -0.261,647 -0.38,648 -0.295,649 -0.016,650 -0.319,651 -0.039,652 -0.219,653 -0.212,654 -0.291,655 0.002,656 -0.171,657 1.628,658 5.4,659 0.913,660 18.533,661 1.006,662 1.109,663 2.326,664 5.413,665 0.703,666 3.296,667 3.611,668 3.912,669 4.205,670 4.443,671 4.522,672 4.7,673 4.828,674 4.875,675 4.905,676 5.422,677 0.664,678 327.43,679 3.296,680 4.828,681 5.687,682 6.567,683 7.445,684 8.334,685 9.222,686 10.118,687 11.012,688 11.911,689 2.5,692 1,704 6,708 1,709 4,711 11,716 1,729 1,731 40,733 13,734 1,735 26,737 43,738 18,739 10,740 1,741 5,742 3,746 4,747 5,758 1,761 13,762 5,766 2,771 1,773 1,775 2,778 1,781 17,782 4,784 5,785 1,790 1,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,848 23,854 5,856 2,859 1,865 1,870 7.5,873 1,874 1,875 1,877 10.833,878 7.2,879 5.028,880 2.438,881 2.42,882 1.331,883 1.013,884 4.187,885 9.738,886 3.541,887 4.09,888 4.646,889 5.193,890 5.613,891 5.856,892 6.235,893 6.609,894 6.863,895 7.092,896 1,897 35,898 8.545,900 3.691,901 7.645,902 16.572,904 13.927,905 2.145,906 49.333,909 1,910 200.109,911 134.636,912 3.124,914 47.145,916 31.278,917 103.358,918 247.253,919 3.124,921 15.931,922 64.507,923 41.278,924 30.553,925 13.13,926 219.615,928 200.109,929 106.483,930 47.145,931 31.278,933 200.109,934 36.145,935 11,937 19.055,938 77.951,939 9.476,940 31.278,941 200.109,942 50.269,943 134.636,946 200.109,947 70.129,948 67.631,950 47.145,951 200.109,952 50.269,953 134.636,955 0.575,956 0.338,957 0.191,958 0.105,959 19,960 7,961 0.07,962 3,963 1,964 1.095,965 3.606,966 190.815,967 0.095,968 21,969 96.042,970 1,974 14.912,975 6.458,976 3.057,978 50.269,979 12.275,983 1.466,984 3.718,987 385.014,988 33.5,993 12.4,995 1.608,997 0.69,999 40.229,1000 44.368,1001 0.299,1002 0.669,1003 0.81,1004 0.846,1005 0.859,1006 0.859,1007 4.777,1008 1.208,1009 5.652,1010 2.992,1011 4.29,1012 4.775,1013 1.877,1014 6.46,1015 4.178,1016 5.954,1017 1,1018 7.2,1019 2.912,1020 3.761,1021 4.443,1022 0.325,1023 7.334,1024 3.635,1025 7.246,1026 1,1027 8.852,1028 2.214,1029 5.866,1030 6.885,1031 1.753,1032 10.474,1033 5.658,1034 8.575,1035 0.887,1036 10.568,1037 2.136,1038 6.217,1039 7.441,1040 0.424,1041 12.225,1042 5.97,1043 9.942,1045 12.326,1046 2.136,1047 7.748,1048 9.308,1049 1.767,1050 14.86,1051 7.436,1052 11.335,1053 -0.345,1054 14.114,1056 8.514,1057 10.29,1058 0.581,1059 16.967,1060 8.145,1061 12.748,1062 -0.564,1063 15.923,1064 -0.895,1065 9.807,1066 11.911,1067 1.857,1068 19.433,1069 9.38,1070 3.202,1071 -0.837,1072 17.748,1073 -1.36,1074 10.774,1075 13.108,1076 0.788,1077 21.694,1078 10.281,1079 2.757,1080 10.947,1081 19.585,1082 -2.02,1083 11.97,1084 14.618,1085 1.992,1086 24.102,1087 11.421,1088 2.535,1089 8.932,1090 21.431,1091 4.2,1092 13.032,1093 15.927,1094 1.027,1095 26.432,1096 12.415,1097 2.204,1098 7.618,1099 23.285,1100 3.464,1101 14.193,1102 17.389,1103 2.156,1104 28.822,1105 13.519,1106 1.819,1107 6.528,1108 25.145,1109 3.262,1110 15.301,1111 18.756,1112 1.284,1113 31.183,1114 14.561,1115 1.518,1116 4.672,1117 27.011,1118 2.784,1119 16.452,1120 20.198,1121 2.338,1122 33.569,1123 15.653,1124 1.287,1125 4.021,1126 28.881,1127 2.094,1128 17.583,1129 21.595,1130 1.553,1131 35.945,1132 16.72,1133 5427,1134 8947,1135 18.087,1136 28.108,1137 39.386,1138 40.332,1139 39.248,1140 38.808,1141 38.834,1142 49.185,1143 6.641,1144 110.215,1145 36.514,1146 5.543,1147 5.653,1148 6.526,1149 5.282,1150 5.202,1151 7.2,1152 2.22,1153 18.111,1154 5.019,1155 5.712,1156 1.515,1157 1.551,1158 1.51,1159 1.493,1160 1.494,1161 1.892,1162 0.255,1163 4.239,1164 1.404,1165 4.026,1166 4.034,1167 4.269,1168 4.006,1169 7.428,1170 3.965,1171 3.864,1172 3.893,1173 3.815,1174 3.806,1175 4.858,1176 3.788,1177 3.743,1178 3.778,1179 3.707,1180 3.572,1181 4.729,1182 3.576,1183 3.396,1184 3.419,1185 3.373,1186 3.263,1187 4.601,1188 3.268,1189 3.111,1190 3.206,1191 3.097,1192 2.979,1193 4.251,1194 2.927,1195 3.045,1196 3.086,1197 2.866,1198 2.941,1199 3.717,1200 2.91,1201 2.876,1202 2.925,1203 2.814,1204 2.735,1205 3.674,1206 2.715,1207 2.854,1208 2.9,1209 2.687,1210 2.583,1211 3.67,1212 2.63,1213 0.175,1214 0.141,1215 0.259,1216 0.159,1217 0.123,1218 4.543,1219 0.162,1220 3.653,1221 0.044,1222 6.724,1223 0.421,1224 4.145,1225 0.116,1226 3.202,1227 4.2,1228 1.138,1229 10.947,1230 3.019,1231 1.924,1232 1.898,1233 2.049,1234 2.013,1235 1.212,1236 2.021,1237 1.779,1238 1.756,1239 1.935,1240 1.979,1241 1.192,1242 1.972,1243 1.592,1244 1.561,1245 1.716,1246 1.766,1247 0.869,1248 1.749,1249 1.468,1250 1.455,1251 1.563,1252 1.548,1253 0.825,1254 1.585,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.749,1260 1.429,1261 1.04,1262 1.031,1263 1.181,1264 1.16,1265 0.377,1266 1.189,1267 0.886,1268 0.841,1269 1.127,1270 1.062,1271 0.276,1272 1.107,1273 0.886,1274 0.821,1275 1.079,1276 1.057,1277 0.218,1278 1.085,1279 3.97,1281 5.283,1282 2.398,1283 6.801,1284 4.727,1285 8.41,1286 6.843,1287 10.068,1295 3.625,1297 11.473,1300 2.078,1305 26.567,1306 63.577,1307 142.397,1308 172.513,1309 180.122,1310 182.877,1311 182.877,1312 32.067,1313 7.319,1314 42.68,1315 70.92,1316 23,1317 12.435,1318 3.807,1319 3.087,1320 31.748,1321 73,1322 75,1323 0.212,1324 163.281,1325 286.12,1326 390.166,1327 14271,1329 15.648,1330 0.68,1331 0.586,1332 16.002,1333 13.474,1334 11.31,1335 0.435,1336 0.331,1337 7.687,1338 10.441,1339 7.466,1340 6.102,1341 11.764,1342 8.599,1343 10.012,1344 0.278,1345 0.181,1346 10.536,1347 6.51,1348 8.684,1349 0.177,1350 0.104,1351 9.472,1352 5.087,1353 7.49,1354 0.113,1355 0.057,1356 8.301,1357 3.759,1358 6.117,1359 0.073,1360 0.03,1361 6.795,1362 2.561,1363 0.325,1364 75.368,1365 0.235,1366 22.366,1367 0.605,1368 124,1369 369.712,1370 157.997,1371 368.273,1372 504.11,1373 348,1374 147,1375 351.762,1376 182.399,1377 367.068,1378 543.68,1379 346,1380 6.754}
{0 CHEMBL2322231,1 1.692,2 9.792,3 3.175,4 10.078,5 93.236,6 8.906,7 0.407,8 3.775,9 3.849,10 3.551,11 3.414,12 4.949,13 3.39,14 4.311,15 4.43,16 3.917,17 3.807,18 5.422,19 3.768,20 4.529,21 4.684,22 4.018,23 3.894,24 5.654,25 3.847,26 4.509,27 4.669,28 3.897,29 3.86,30 5.701,31 3.783,32 4.469,33 4.653,34 3.794,35 3.768,36 5.541,37 3.68,38 4.313,39 4.458,40 3.743,41 3.71,42 5.479,43 3.632,44 4.24,45 4.361,46 3.667,47 3.643,48 5.546,49 3.543,50 4.13,51 4.308,52 3.408,53 3.434,54 5.288,55 3.312,56 0.052,57 0.504,58 5.648,59 3.513,60 9.314,61 3.685,62 0.274,63 0.874,64 13.688,65 6.25,66 18.699,67 6.239,68 0.405,69 1.072,70 19.379,71 7.969,72 31.663,73 8.251,74 0.421,75 1.036,76 18.742,77 8.182,78 43.347,79 8.933,80 0.45,81 1.005,82 21.761,83 8.283,84 44.66,85 9.012,86 0.288,87 0.847,88 16.667,89 7.07,90 37.915,91 7.053,92 0.34,93 0.816,94 16.465,95 6.749,96 44.885,97 6.211,98 0.25,99 0.763,100 17.321,101 6.216,102 31.035,103 6.579,104 6,105 38,106 0.299,107 0.679,108 0.779,109 0.797,110 0.797,111 0.797,112 3.229,113 0.947,114 -2.96,115 -2.96,116 -2.86,119 47.4,125 4,135 1,139 1,142 4,143 3,144 1,151 1,152 1,157 1,158 1,172 7,174 1,175 5,183 9,186 1,187 5,195 7,198 2,199 6,207 4,211 1,212 7,220 3,224 6,232 3,236 1,237 5,245 2,249 1,250 5,258 1,263 2,275 808,276 16.662,277 16.662,278 16.662,279 16.662,280 16.662,281 15.013,282 16.583,283 9.782,284 17.177,285 13.275,286 13.275,287 13.275,288 13.275,289 13.275,290 10.557,291 18.719,292 4.571,293 14.108,294 3.556,295 1.408,296 0.842,297 0.737,298 0.737,299 0.737,300 3.93,303 1,304 1,305 1,306 516,307 2.236,310 49.386,311 196.7,314 89.45,318 1.476,319 25.653,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 52,331 235,332 4.591,333 4.057,334 6.823,335 4.194,336 3.244,337 4.283,338 2.035,339 11.297,340 3.085,341 4.148,342 3.648,343 6.165,344 3.768,345 2.814,346 3.685,347 1.138,348 9.125,349 2.714,350 3.965,351 3.179,352 5.963,353 3.564,354 2.609,355 3.303,356 0.86,357 8.314,358 2.461,359 3.746,360 3.034,361 5.335,362 3.35,363 2.352,364 2.976,365 0.643,366 6.819,367 2.331,368 3.339,369 2.551,370 5.019,371 2.826,372 1.837,373 2.468,375 5.529,376 1.802,377 2.998,378 2.37,379 4.537,380 2.701,381 1.816,382 2.002,384 4.67,385 1.594,386 2.932,387 2.141,388 4.096,389 2.099,390 1.268,391 1.622,393 3.137,394 1.051,395 2.576,396 1.76,397 3.754,398 2.033,399 1.088,400 1.5,402 2.894,403 1.008,404 2.5,405 1.275,406 3.444,407 2,408 1,409 1.433,411 2.275,412 1,413 2.413,414 1.256,415 3.414,416 1.952,417 1,418 1.107,420 2.153,421 0.946,422 2.178,423 1.194,424 3.247,425 1.707,426 0.847,427 1,428 2.136,429 0.705,430 2,431 1,432 2.824,433 1.415,434 0.47,435 0.888,436 0.738,437 0.441,438 1.262,439 0.458,440 2.695,441 0.706,442 -0.239,443 -0.321,445 -0.574,446 -0.215,447 0.991,448 0.091,449 2.538,450 0.494,451 -0.485,452 -0.639,454 -1.117,455 -0.472,456 0.553,457 -0.227,458 2.231,459 0.325,460 -0.62,461 -0.773,463 -1.403,464 -0.587,465 11.633,466 0.485,467 0.5,468 0.021,469 32.25,470 1.344,471 16.5,472 0.688,473 15.75,474 0.656,475 18.056,476 0.752,477 24.367,478 0.641,479 22.034,480 0.918,481 6.239,482 0.26,483 5.519,484 0.23,485 0.063,487 0.335,493 0.753,494 1.099,495 0.655,496 0.906,497 0.488,498 0.827,499 1.117,500 0.878,501 0.914,502 0.841,503 0.578,504 0.808,505 1.129,506 0.905,507 0.828,508 0.891,509 0.793,510 0.879,511 0.952,512 0.986,513 0.938,514 0.968,515 0.864,516 1.019,517 1.054,518 0.899,519 1.014,520 0.934,521 0.938,522 0.906,523 1.279,524 0.966,525 1.153,526 1.031,527 1.365,528 0.991,529 1.231,530 1.232,531 1.612,532 1.401,533 1.626,534 1.288,535 0.791,536 1.281,537 1.486,538 1.519,539 1.037,540 1.322,541 4,542 0.062,543 2.889,544 1.285,545 1.268,546 0.941,547 0.582,548 0.28,549 0.148,550 0.108,551 6304,552 19552,553 2.161,554 36.8,556 13,557 1,564 1.672,565 2.057,566 3.262,567 -0.74,568 1,569 1,571 1,573 64.305,574 1.692,575 3.84,576 4.406,577 4.511,578 4.511,579 4.511,580 2.721,581 4.137,582 4.552,583 3.362,584 927.786,585 7.872,586 10549.1,587 1,588 1,589 1,590 1,591 199.421,592 1.281,593 4.532,594 0.148,595 0.007,596 0.076,597 0.033,598 0.036,599 0.03,600 0.019,601 0.011,602 0.008,603 0.008,604 0.377,605 0.5,606 1,607 0.681,608 112.638,609 -0.033,610 -0.123,611 0.067,612 -0.023,613 0.024,614 0.002,615 -0.117,616 0.132,617 -0.028,618 0.1,619 -0.019,620 0.067,621 -0.062,622 0.074,623 0.084,624 0.043,625 -0.024,626 0.053,627 0.056,628 -0.04,629 -0.012,630 -0.016,631 0.032,632 -0.057,633 -0.002,634 0.049,635 0.047,636 0.093,637 -0.064,638 0.113,639 -0.197,640 -0.019,641 -0.111,642 0.006,643 -0.145,644 -0.029,645 -0.113,646 -0.222,647 -0.408,648 -0.266,649 -0.14,650 -0.357,651 0.034,652 -0.262,653 -0.25,654 -0.384,655 -0.037,656 -0.297,657 1.692,658 5.437,659 0.875,660 19.972,661 1.015,662 1.106,663 1.729,664 2.99,665 0.726,666 3.332,667 3.664,668 3.989,669 4.277,670 4.533,671 4.673,672 4.844,673 4.963,674 5.05,675 5.112,676 5.58,677 0.698,678 338.41,679 3.332,680 4.875,681 5.746,682 6.635,683 7.525,684 8.423,685 9.322,686 10.226,687 11.13,688 12.038,689 5.3,692 1,698 1,704 5,708 1,709 5,711 11,713 1,716 1,729 1,731 38,733 14,734 1,735 27,737 41,738 18,739 10,740 2,741 4,742 3,746 4,747 5,760 1,761 13,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 14,782 5,784 6,785 1,790 2,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,848 24,854 4,856 2,859 1,861 1,865 1,866 1,868 1,870 7.9,873 1,874 1,875 1,877 11.667,878 7.067,879 5.306,880 2.307,881 2.707,882 1.362,883 1.01,884 4.093,885 10.176,886 3.624,887 4.171,888 4.793,889 5.357,890 5.832,891 6.242,892 6.672,893 7.016,894 7.365,895 7.691,896 0.857,897 39,898 8.873,900 3.859,901 7.833,902 16.864,904 14.106,905 2.333,906 56,910 164.795,911 142.413,912 34.184,914 47.145,916 31.278,917 111.135,918 211.94,919 34.184,921 13.396,922 55.03,923 57.88,924 64.798,925 13.13,926 184.302,928 164.795,929 145.319,930 47.145,931 31.278,933 164.795,934 36.145,935 11,937 47.58,938 88.262,939 9.476,940 31.278,941 164.795,942 81.328,943 142.413,946 164.795,947 70.78,948 58.155,949 16.602,950 78.204,951 164.795,952 81.328,953 142.413,955 0.579,956 0.351,957 0.192,958 0.105,959 20,960 8,961 0.049,962 2,963 1,964 1.095,965 3.629,966 204.616,967 0.095,968 21,969 102.039,970 1,974 15.376,975 6.389,976 2.871,978 81.328,979 9.217,983 1.386,984 3.646,987 388.536,988 36.5,993 12.437,995 1.562,997 0.562,999 38.564,1000 42.036,1001 0.322,1002 0.732,1003 0.84,1004 0.86,1005 0.86,1006 0.86,1007 4.881,1008 1.088,1009 5.727,1010 3.137,1011 4.344,1012 4.856,1013 2.631,1014 6.561,1015 4.235,1016 6.085,1017 1,1018 7.296,1019 2.894,1020 3.892,1021 4.59,1022 0.325,1023 7.506,1024 3.782,1025 7.394,1026 1,1027 8.968,1028 2.275,1029 5.953,1030 7.015,1031 3.679,1032 10.633,1033 5.76,1034 8.738,1035 0.847,1036 10.702,1037 2.153,1038 6.365,1039 7.641,1040 0.424,1041 12.429,1042 6.154,1043 10.117,1044 0.47,1045 12.476,1046 2.136,1047 7.864,1048 9.484,1049 4.994,1050 15.071,1051 7.587,1052 11.52,1053 -0.239,1054 14.277,1055 0.738,1056 8.67,1057 10.521,1058 0.581,1059 17.214,1060 8.356,1061 12.942,1062 -0.485,1063 16.098,1064 -0.574,1065 9.949,1066 12.127,1067 6.387,1068 19.698,1069 9.578,1070 3.244,1071 -0.62,1072 17.934,1073 -1.117,1074 10.94,1075 13.365,1076 0.788,1077 21.991,1078 10.523,1079 2.814,1080 11.297,1081 19.781,1082 -1.403,1083 12.134,1084 14.872,1085 7.8,1086 24.424,1087 11.665,1088 2.609,1089 9.125,1090 21.638,1091 4.283,1092 13.213,1093 16.211,1094 1.027,1095 26.784,1096 12.693,1097 2.352,1098 8.314,1099 23.503,1100 3.685,1101 14.378,1102 17.677,1103 9.218,1104 29.202,1105 13.806,1106 1.837,1107 6.819,1108 25.374,1109 3.303,1110 15.5,1111 19.068,1112 1.284,1113 31.594,1114 14.876,1115 1.816,1116 5.529,1117 27.251,1118 2.976,1119 16.658,1120 20.519,1121 10.638,1122 34.01,1123 15.983,1124 1.268,1125 4.67,1126 29.133,1127 2.468,1128 17.801,1129 21.936,1130 1.553,1131 36.417,1132 17.074,1133 5979,1134 10641,1135 18.493,1136 27.591,1137 42.327,1138 44.49,1139 41.685,1140 40.641,1141 40.691,1142 52.535,1143 9.351,1144 118.174,1145 38.275,1146 5.591,1147 6.057,1148 6.625,1149 5.332,1150 5.244,1151 7.283,1152 4.069,1153 18.661,1154 5.085,1155 8.802,1156 1.568,1157 1.648,1158 1.544,1159 1.505,1160 1.507,1161 1.946,1162 0.346,1163 4.377,1164 1.418,1165 4.045,1166 4.049,1167 4.276,1168 4.031,1169 7.428,1170 3.996,1171 3.847,1172 3.88,1173 3.828,1174 3.773,1175 6.82,1176 3.758,1177 3.723,1178 3.75,1179 3.707,1180 3.566,1181 4.876,1182 3.566,1183 3.367,1184 3.385,1185 3.372,1186 3.247,1187 4.659,1188 3.252,1189 3.112,1190 3.206,1191 3.182,1192 3.002,1193 4.576,1194 2.995,1195 3.111,1196 3.154,1197 2.867,1198 2.941,1199 4.207,1200 2.91,1201 2.902,1202 2.925,1203 2.866,1204 2.735,1205 3.679,1206 2.715,1207 2.854,1208 2.919,1209 2.687,1210 2.594,1211 3.674,1212 2.647,1213 0.17,1214 0.15,1215 0.253,1216 0.155,1217 0.12,1218 4.591,1219 0.159,1220 4.057,1221 0.075,1222 6.823,1223 0.418,1224 4.194,1225 0.114,1226 3.244,1227 4.283,1228 2.035,1229 11.297,1230 3.085,1231 1.933,1232 1.915,1233 2.02,1234 2.014,1235 1.207,1236 2.011,1237 1.773,1238 1.748,1239 1.933,1240 1.97,1241 1.125,1242 1.966,1243 1.577,1244 1.552,1245 1.669,1246 1.75,1247 0.825,1248 1.731,1249 1.381,1250 1.375,1251 1.513,1252 1.44,1253 0.803,1254 1.461,1255 1.153,1256 1.064,1257 1.406,1258 1.376,1259 0.595,1260 1.429,1261 1.04,1262 1.03,1263 1.181,1264 1.168,1265 0.349,1266 1.18,1267 0.927,1268 0.887,1269 1.079,1270 1.127,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.051,1276 1.062,1277 0.155,1278 1.107,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.727,1285 8.494,1286 6.862,1287 10.169,1295 2.692,1297 11.433,1300 2.032,1303 8.924,1304 2.109,1305 26.535,1306 64.305,1307 145.911,1308 167.421,1309 171.421,1310 171.421,1311 171.421,1312 37.031,1313 7.469,1314 66.47,1315 94.71,1316 23,1317 12.556,1318 3.907,1319 3.392,1320 33.768,1321 78,1322 95,1323 0.212,1324 164.221,1325 291.84,1326 392.458,1327 16705,1329 16.518,1330 0.688,1331 0.568,1332 16.872,1333 13.636,1334 11.758,1335 0.435,1336 0.316,1337 7.607,1338 10.846,1339 7.398,1340 6.038,1341 12.212,1342 8.526,1343 10.365,1344 0.273,1345 0.169,1346 10.889,1347 6.425,1348 9.304,1349 0.176,1350 0.095,1351 10.074,1352 5.054,1353 7.885,1354 0.111,1355 0.052,1356 8.735,1357 3.706,1358 6.392,1359 0.069,1360 0.027,1361 7.114,1362 2.504,1363 0.325,1364 78.414,1365 0.233,1366 23.144,1367 0.605,1368 130,1369 417.357,1370 164.691,1371 417.86,1372 566.9,1373 392,1374 156,1375 395.171,1376 192.066,1377 412.23,1378 608.16,1379 388,1380 5.337}
{0 CHEMBL2322232,1 1.762,2 9.087,3 3.96,4 15.682,5 92.303,6 9.401,7 0.423,8 3.755,9 3.825,10 3.573,11 3.402,12 4.857,13 3.367,14 4.303,15 4.418,16 3.97,17 3.803,18 5.406,19 3.754,20 4.515,21 4.666,22 4.052,23 3.882,24 5.602,25 3.819,26 4.467,27 4.619,28 3.892,29 3.832,30 5.595,31 3.742,32 4.433,33 4.612,34 3.808,35 3.748,36 5.462,37 3.653,38 4.305,39 4.446,40 3.806,41 3.706,42 5.461,43 3.617,44 4.223,45 4.336,46 3.845,47 3.632,48 5.51,49 3.507,50 4.054,51 4.234,52 3.338,53 3.378,54 5.045,55 3.228,56 0.066,57 0.474,58 4.971,59 3.441,60 5.495,61 3.681,62 0.301,63 0.84,64 13.223,65 6.266,66 17.149,67 6.257,68 0.47,69 1.008,70 21.542,71 8.191,72 30.229,73 8.333,74 0.46,75 0.94,76 20.072,77 8.247,78 36.127,79 8.939,80 0.458,81 0.942,82 21.083,83 8.287,84 33.416,85 8.962,86 0.32,87 0.814,88 16.535,89 7.137,90 33.814,91 7.076,92 0.46,93 0.747,94 21.665,95 7.081,96 46.619,97 6.272,98 0.207,99 0.659,100 16.299,101 6.172,102 18.889,103 6.553,104 5,105 37,106 0.316,107 0.676,108 0.78,109 0.799,110 0.799,111 0.799,112 3.19,113 0.995,114 -3.82,115 -3.78,116 -3.6,119 45.9,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,172 5,174 1,175 4,183 9,186 1,187 3,195 8,198 2,199 4,207 4,211 1,212 6,220 4,224 4,232 2,236 1,237 6,245 3,250 2,263 4,271 1,275 701,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 14.182,282 14.86,283 9.284,284 16.433,285 12.847,286 12.847,287 12.847,288 12.847,289 12.847,290 10.318,291 17.016,292 4.432,293 13.935,294 3.447,295 1.446,296 0.865,297 0.757,298 0.757,299 0.757,300 3.889,301 1,303 1,304 1,305 1,306 461,307 2,310 46.104,311 184.35,314 83.391,318 1.323,319 23.493,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.833,331 209,332 4.591,333 3.648,334 6.823,335 4.193,336 3.244,337 4.282,338 1.138,339 11.297,340 3.082,341 4.119,342 3.179,343 6.165,344 3.758,345 2.811,346 3.632,347 0.86,348 9.124,349 2.688,350 3.888,351 3.057,352 5.961,353 3.535,354 2.591,355 3.252,356 0.643,357 8.305,358 2.414,359 3.629,360 2.881,361 5.179,362 3.211,363 2.282,364 2.9,366 6.255,367 2.078,368 3.205,369 2.421,370 4.902,371 2.759,372 1.822,373 2.392,375 5.359,376 1.647,377 2.979,378 2.225,379 4.537,380 2.7,381 1.799,382 1.999,384 4.67,385 1.593,386 2.583,387 1.764,388 4.071,389 2.091,390 1.267,391 1.604,393 3.098,394 1.032,395 2.5,396 1.286,397 3.754,398 2,399 1.066,400 1.5,402 2.882,403 1,404 2.432,405 1.256,406 3.444,407 1.999,408 1,409 1.372,411 2.275,412 0.971,413 2.18,414 1.226,415 3.414,416 1.952,417 1,418 1.063,420 2.143,421 0.946,422 2,423 1,424 3.247,425 1.687,426 0.826,427 1,428 2.136,429 0.685,430 1.283,431 0.508,432 2.705,433 0.764,434 -0.121,435 -0.152,436 -0.281,437 -0.09,438 1.063,439 0.273,440 2.645,441 0.583,442 -0.348,443 -0.462,445 -0.879,446 -0.289,447 0.562,448 -0.215,449 2.343,450 0.357,451 -0.568,452 -0.657,454 -1.372,455 -0.53,456 0.5,457 -0.36,458 2,460 -0.909,461 -0.971,463 -2.347,464 -0.762,465 11.448,466 0.498,467 0.538,468 0.023,469 28.75,470 1.25,471 13.5,472 0.587,473 15.25,474 0.663,475 18.719,476 0.814,477 23.952,478 0.647,479 19.198,480 0.835,481 5.597,482 0.243,483 5.623,484 0.244,485 0.092,487 0.341,493 0.728,494 1.141,495 0.578,496 0.858,497 0.551,498 0.809,499 1.07,500 0.929,501 0.776,502 0.795,503 0.666,504 0.785,505 1.157,506 0.893,507 0.878,508 0.877,509 0.961,510 0.872,511 0.944,512 0.986,513 0.906,514 0.966,515 0.835,516 1.011,517 0.944,518 0.959,519 0.766,520 0.893,521 0.903,522 0.876,523 1.214,524 1.025,525 0.946,526 0.975,527 1.656,528 0.963,529 1.155,530 1.242,531 1.366,532 1.362,533 1.96,534 1.281,535 0.774,536 1.328,537 1.209,538 1.432,539 0.988,540 1.327,541 4,542 0.049,543 2.889,544 1.285,545 1.228,546 0.879,547 0.582,548 0.28,549 0.116,550 0.078,551 5573,552 17977,553 2.168,554 37.8,556 13,557 1,564 1.661,565 2.06,566 3.176,567 -0.729,569 1,573 65.205,574 1.762,575 3.763,576 4.345,577 4.453,578 4.453,579 4.453,580 2.666,581 3.969,582 4.493,583 3.261,584 825.076,585 7.757,586 9052.12,588 1,589 1,590 1,591 192.75,592 1.302,593 4.469,594 0.154,595 0.008,596 0.078,597 0.035,598 0.037,599 0.029,600 0.02,601 0.012,602 0.007,603 0.007,604 0.388,605 0.5,606 1,607 0.503,608 105.779,609 -0.036,610 -0.134,611 0.039,612 -0.023,613 -0.029,614 0.002,615 -0.118,616 0.125,617 -0.013,618 0.105,619 -0.011,620 0.069,621 -0.101,622 0.118,623 0.008,624 0.042,625 -0.064,626 0.046,627 0.035,628 -0.029,629 -0.057,630 -0.029,631 0.063,632 -0.061,633 0.019,634 0.019,635 0.068,636 0.096,637 -0.02,638 0.119,639 -0.187,640 -0.037,641 -0.06,642 0.022,643 -0.165,644 -0.025,645 -0.01,646 -0.212,647 -0.19,648 -0.238,649 -0.14,650 -0.355,651 -0.033,652 -0.325,653 -0.185,654 -0.357,655 -0.104,656 -0.301,657 1.669,658 5.412,659 0.913,660 17.584,661 1.018,662 1.105,663 2.594,664 6.731,665 0.735,666 3.296,667 3.638,668 3.951,669 4.248,670 4.511,671 4.635,672 4.796,673 4.92,674 4.997,675 5.024,676 5.27,677 0.699,678 347.84,679 3.296,680 4.844,681 5.714,682 6.605,683 7.495,684 8.395,685 9.294,686 10.2,687 11.104,688 12.013,689 2.7,692 1,704 5,708 1,709 5,711 11,716 1,729 1,730 1,731 37,733 13,734 1,735 26,737 40,738 17,739 10,740 2,741 4,742 3,746 4,747 5,748 1,761 13,762 4,766 2,771 1,773 1,775 2,778 1,781 14,782 4,784 6,785 2,790 1,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,845 1,848 23,854 4,856 2,859 1,865 1,869 1,870 8.1,873 1,874 1,875 1,877 11.167,878 6.76,879 4.972,880 2.23,881 2.483,882 1.337,883 1.018,884 4.136,885 9.851,886 3.541,887 4.123,888 4.715,889 5.292,890 5.771,891 6.139,892 6.527,893 6.9,894 7.22,895 7.431,896 1,897 37,898 8.522,900 3.718,901 7.744,902 16.317,904 13.74,905 2.244,906 51.611,910 164.795,911 126.126,912 3.124,913 39.149,914 47.145,916 31.278,917 94.848,918 251.089,919 3.124,921 13.396,922 55.03,923 41.278,924 34.054,925 13.13,926 184.302,927 39.149,928 164.795,929 97.972,930 47.145,931 70.426,933 164.795,934 36.145,935 11,937 16.52,938 71.976,939 48.625,940 31.278,941 164.795,942 50.269,943 165.274,946 164.795,947 71.096,948 58.155,950 86.293,951 164.795,952 50.269,953 165.274,955 0.585,956 0.346,957 0.19,958 0.108,959 20,960 8,961 0.05,962 2,963 1,964 1.095,965 3.533,966 194.508,967 0.095,968 21,969 94.042,970 1,974 15.181,975 6.266,976 2.909,978 50.269,979 9.507,983 1.413,984 3.888,987 380.339,988 33.5,993 12.412,995 1.579,997 0.609,999 37.669,1000 40.897,1001 0.338,1002 0.722,1003 0.834,1004 0.855,1005 0.855,1006 0.855,1007 4.794,1008 1.066,1009 5.7,1010 3.098,1011 4.317,1012 4.808,1013 1.724,1014 6.535,1015 4.172,1016 5.992,1017 1,1018 7.27,1019 2.882,1020 3.892,1021 4.59,1022 0.325,1023 7.476,1024 3.696,1025 7.302,1026 1,1027 8.943,1028 2.275,1029 5.927,1030 6.965,1031 1.676,1032 10.61,1033 5.677,1034 8.648,1035 0.826,1036 10.676,1037 2.143,1038 6.347,1039 7.608,1040 0.424,1041 12.407,1042 6.056,1043 10.03,1044 -0.121,1045 12.451,1046 2.136,1047 7.84,1048 9.436,1049 1.733,1050 15.056,1051 7.5,1052 11.436,1053 -0.348,1054 14.253,1055 -0.281,1056 8.65,1057 10.48,1058 0.581,1059 17.202,1060 8.267,1061 12.862,1062 -0.568,1063 16.075,1064 -0.879,1065 9.928,1066 12.083,1067 1.843,1068 19.69,1069 9.499,1070 3.244,1071 -0.909,1072 17.913,1073 -1.372,1074 10.923,1075 13.325,1076 0.788,1077 21.985,1078 10.447,1079 2.811,1080 11.297,1081 19.762,1082 -2.347,1083 12.118,1084 14.833,1085 1.986,1086 24.42,1087 11.596,1088 2.591,1089 9.124,1090 21.621,1091 4.282,1092 13.199,1093 16.175,1094 1.027,1095 26.781,1096 12.629,1097 2.282,1098 8.305,1099 23.488,1100 3.632,1101 14.365,1102 17.643,1103 2.153,1104 29.2,1105 13.748,1106 1.822,1107 6.255,1108 25.361,1109 3.252,1110 15.489,1111 19.036,1112 1.284,1113 31.592,1114 14.822,1115 1.799,1116 5.359,1117 27.24,1118 2.9,1119 16.648,1120 20.489,1121 2.337,1122 34.009,1123 15.933,1124 1.267,1125 4.67,1126 29.123,1127 2.392,1128 17.793,1129 21.909,1130 1.553,1131 36.416,1132 17.027,1133 5259,1134 9561,1135 17.8,1136 27.205,1137 39.864,1138 40.963,1139 40.378,1140 39.548,1141 39.416,1142 49.991,1143 5.281,1144 115.086,1145 36.273,1146 5.591,1147 5.648,1148 6.625,1149 5.331,1150 5.244,1151 7.282,1152 2.22,1153 18.661,1154 5.082,1155 8.425,1156 1.533,1157 1.575,1158 1.553,1159 1.521,1160 1.516,1161 1.923,1162 0.203,1163 4.426,1164 1.395,1165 4.04,1166 4.042,1167 4.278,1168 4.029,1169 7.428,1170 3.991,1171 3.834,1172 3.868,1173 3.963,1174 3.758,1175 4.966,1176 3.74,1177 3.713,1178 3.736,1179 3.707,1180 3.564,1181 4.814,1182 3.561,1183 3.345,1184 3.358,1185 3.385,1186 3.237,1187 4.605,1188 3.233,1189 3.111,1190 3.206,1191 3.309,1192 2.941,1193 4.351,1194 2.91,1195 2.937,1196 2.948,1197 2.866,1198 2.827,1199 4.115,1200 2.786,1201 2.854,1202 2.925,1203 2.866,1204 2.735,1205 3.677,1206 2.715,1207 2.755,1208 2.776,1209 2.687,1210 2.534,1211 3.674,1212 2.574,1213 0.177,1214 0.14,1215 0.262,1216 0.161,1217 0.125,1218 4.591,1219 0.165,1220 3.648,1221 0.044,1222 6.823,1223 0.435,1224 4.193,1225 0.119,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.082,1231 1.915,1232 1.899,1233 1.993,1234 2.006,1235 1.207,1236 1.998,1237 1.77,1238 1.745,1239 1.931,1240 1.953,1241 1.117,1242 1.959,1243 1.574,1244 1.551,1245 1.664,1246 1.745,1247 0.825,1248 1.728,1249 1.338,1250 1.337,1251 1.513,1252 1.377,1253 0.801,1254 1.429,1255 1.153,1256 1.064,1257 1.365,1258 1.376,1259 0.585,1260 1.42,1261 1.008,1262 1,1263 1.181,1264 1.152,1265 0.348,1266 1.154,1267 0.886,1268 0.821,1269 1.079,1270 1.062,1271 0.218,1272 1.107,1273 0.671,1274 0.63,1275 0.912,1276 0.903,1277 0.154,1278 0.959,1279 3.97,1281 5.303,1282 2.398,1283 6.841,1284 4.727,1285 8.468,1286 6.862,1287 10.144,1290 5.954,1295 2.759,1297 11.442,1300 2.049,1305 25.868,1306 65.205,1307 139.24,1308 160.75,1309 164.75,1310 164.75,1311 164.75,1312 33.51,1313 7.368,1314 42.68,1315 70.92,1316 23,1317 12.53,1318 3.807,1319 3.087,1320 31.722,1321 71,1322 79,1323 0.22,1324 162.022,1325 284.03,1326 387.093,1327 14654,1328 2.7,1329 15.811,1330 0.687,1331 0.601,1332 16.665,1333 13.823,1334 11.22,1335 0.432,1336 0.332,1337 7.359,1338 10.043,1339 7.126,1340 5.788,1341 11.963,1342 8.62,1343 10.196,1344 0.276,1345 0.181,1346 11.128,1347 6.679,1348 8.896,1349 0.174,1350 0.101,1351 9.954,1352 5.136,1353 7.575,1354 0.11,1355 0.054,1356 8.591,1357 3.737,1358 6.282,1359 0.07,1360 0.029,1361 7.218,1362 2.581,1363 0.335,1364 78.008,1365 0.237,1366 22.2,1367 0.637,1368 126,1369 399.916,1370 175.517,1371 426.039,1372 571.58,1373 400,1374 151,1375 378.625,1376 196.158,1377 402.834,1378 598.64,1379 380,1380 6.951}
{0 CHEMBL2322233,1 1.849,2 9.167,3 4.625,4 21.386,5 97.108,6 10.332,7 0.407,8 3.762,9 3.823,10 3.651,11 3.43,12 4.885,13 3.395,14 4.311,15 4.417,16 4.073,17 3.841,18 5.443,19 3.792,20 4.53,21 4.664,22 4.276,23 3.944,24 5.693,25 3.878,26 4.478,27 4.617,28 4.007,29 3.876,30 5.642,31 3.785,32 4.444,33 4.61,34 3.932,35 3.795,36 5.511,37 3.7,38 4.324,39 4.443,40 4.087,41 3.777,42 5.558,43 3.685,44 4.233,45 4.335,46 3.96,47 3.677,48 5.537,49 3.555,50 4.074,51 4.231,52 3.643,53 3.437,54 5.237,55 3.306,56 0.107,57 0.463,58 3.251,59 3.187,60 7.278,61 3.327,62 0.371,63 0.825,64 11.146,65 6.104,66 19.191,67 5.774,68 0.604,69 0.989,70 23.517,71 8.287,72 38.869,73 7.867,74 0.556,75 0.921,76 19.683,77 8.23,78 39.926,79 8.58,80 0.557,81 0.926,82 21.609,83 8.473,84 39.338,85 8.762,86 0.466,87 0.785,88 18.821,89 7.23,90 41.941,91 6.68,92 0.512,93 0.734,94 19.48,95 7.006,96 48.68,97 5.837,98 0.326,99 0.638,100 16.324,101 6.252,102 28.388,103 6.363,104 10,105 39,106 0.332,107 0.691,108 0.796,109 0.829,110 0.838,111 0.838,112 3.23,113 1.011,114 -4.32,115 -4.26,116 -4.02,119 45.9,125 4,135 1,139 1,142 3,143 2,144 3,151 1,152 1,157 1,172 4,174 1,175 4,183 7,186 1,187 3,195 9,198 2,199 4,207 6,211 1,212 5,220 3,224 5,232 3,236 1,237 4,245 2,250 4,258 1,263 4,271 1,275 784,276 16.292,277 16.292,278 16.292,279 16.292,280 16.292,281 14.63,282 15.426,283 9.453,284 17.03,285 13.315,286 13.315,287 13.315,288 13.315,289 13.315,290 10.704,291 17.282,292 4.491,293 14.643,294 3.361,295 1.361,296 0.777,297 0.595,298 0.541,299 0.541,300 3.926,301 2,304 1,305 1,306 482,307 2.121,310 48.446,311 194.713,314 87.894,318 1.361,319 27.622,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 52.167,331 220,332 4.597,333 3.649,334 6.826,335 4.198,336 3.249,337 4.295,338 1.138,339 11.31,340 3.085,341 4.223,342 3.321,343 6.184,344 3.802,345 2.868,346 3.831,347 0.86,348 9.18,349 2.701,350 3.979,351 3.176,352 6.02,353 3.602,354 2.705,355 3.325,356 0.643,357 8.534,358 2.424,359 3.706,360 2.995,361 5.802,362 3.361,363 2.415,364 2.961,366 7.678,367 2.173,368 3.225,369 2.421,370 5.042,371 2.786,372 1.825,373 2.416,375 5.519,376 1.694,377 2.979,378 2.235,379 4.537,380 2.7,381 1.809,382 1.999,384 4.67,385 1.593,386 2.82,387 2.117,388 4.131,389 2.306,390 1.414,391 1.948,393 3.538,394 1.2,395 2.583,396 1.762,397 4.011,398 2.091,399 1.267,400 1.604,402 3.104,403 1.032,404 2.432,405 1.279,406 3.754,407 1.999,408 1.066,409 1.372,411 2.885,412 0.971,413 2.18,414 1.256,415 3.444,416 1.952,417 1,418 1.064,420 2.147,421 0.946,422 2,423 1.213,424 3.247,425 1.688,426 0.827,427 1,428 2.136,429 0.685,430 1.4,431 0.684,432 2.749,433 0.881,434 0.108,435 0.132,436 0.24,437 0.067,438 1.19,439 0.409,440 2.687,441 0.653,442 -0.277,443 -0.362,445 -0.718,446 -0.237,447 0.756,448 -0.076,449 2.433,450 0.4,451 -0.532,452 -0.646,454 -1.338,455 -0.437,456 0.558,457 -0.227,458 2.372,459 0.237,460 -0.657,461 -0.788,463 -1.689,464 -0.537,465 12.162,466 0.507,467 0.627,468 0.026,469 29.5,470 1.229,471 13.5,472 0.563,473 16,474 0.667,475 21.074,476 0.878,477 25.038,478 0.677,479 19.963,480 0.832,481 5.685,482 0.237,483 5.946,484 0.248,485 0.145,487 0.362,493 0.712,494 1.143,495 0.531,496 0.804,497 0.545,498 0.766,499 1.028,500 0.923,501 0.702,502 0.737,503 0.657,504 0.733,505 1.093,506 0.891,507 0.77,508 0.825,509 0.91,510 0.834,511 0.948,512 0.986,513 0.88,514 0.946,515 0.837,516 1.005,517 0.951,518 0.958,519 0.77,520 0.876,521 0.905,522 0.868,523 1.112,524 1.02,525 0.835,526 0.926,527 1.577,528 0.932,529 1.111,530 1.239,531 1.187,532 1.286,533 1.868,534 1.229,535 0.622,536 1.351,537 1.072,538 1.441,539 0.768,540 1.291,541 4.5,542 0.066,543 3.333,544 1.472,545 1.419,546 0.965,547 0.638,548 0.334,549 0.186,550 0.118,551 6132,552 22118,553 2.135,554 35.1,556 12,557 1,564 1.673,565 2,566 3.199,567 -0.699,573 68.402,574 1.849,575 3.848,576 4.432,577 4.615,578 4.669,579 4.669,580 2.669,581 4.335,582 4.556,583 3.29,584 908.01,585 7.883,586 10279.9,588 1,591 192.75,592 1.406,593 4.518,594 0.167,595 0.008,596 0.085,597 0.037,598 0.041,599 0.03,600 0.02,601 0.013,602 0.01,603 0.009,604 0.42,605 0.33,606 1,607 0.566,608 112.042,609 -0.047,610 -0.136,611 0.019,612 -0.024,613 -0.03,614 -0.002,615 -0.132,616 0.138,617 -0.005,618 0.135,619 -0.014,620 0.1,621 -0.068,622 0.123,623 0.104,624 0.092,625 -0.019,626 0.082,627 -0.002,628 -0.025,629 -0.065,630 -0.016,631 0.04,632 -0.053,633 -0.011,634 0.027,635 0.053,636 0.118,637 -0.034,638 0.143,639 -0.089,640 -0.034,641 0.073,642 0.066,643 -0.138,644 -0.002,645 -0.043,646 -0.202,647 -0.156,648 -0.191,649 -0.185,650 -0.313,651 0.161,652 -0.348,653 -0.049,654 -0.37,655 0.137,656 -0.259,657 1.7,658 5.453,659 0.875,660 18.722,661 1.027,662 1.104,663 3.095,664 9.578,665 0.758,666 3.332,667 3.689,668 4.007,669 4.29,670 4.554,671 4.691,672 4.852,673 4.99,674 5.069,675 5.118,676 5.393,677 0.722,678 382.28,679 3.332,680 4.89,681 5.765,682 6.661,683 7.554,684 8.457,685 9.359,686 10.267,687 11.173,688 12.084,689 2.7,692 1,704 4,708 1,709 6,711 11,716 1,729 1,730 2,731 37,733 13,734 1,735 27,737 40,738 17,739 10,740 3,741 3,742 3,746 4,747 5,748 2,761 13,762 4,766 2,771 1,773 1,775 2,778 1,781 13,782 4,784 7,785 3,790 1,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,845 2,848 24,854 4,856 2,859 1,865 1,869 2,870 8.1,873 1,874 1,875 1,877 12,878 6.819,879 5.167,880 2.217,881 2.512,882 1.336,883 1.014,884 4.558,885 9.981,886 3.57,887 4.171,888 4.768,889 5.336,890 5.822,891 6.209,892 6.593,893 6.983,894 7.298,895 7.543,896 1,897 40,898 8.886,900 3.898,901 7.808,902 16.877,904 14.222,905 2.308,906 55.389,910 153.024,911 120.15,912 3.124,913 78.297,914 47.145,916 31.278,917 88.873,918 278.466,919 3.124,921 13.396,922 45.554,923 41.278,924 37.555,925 13.13,926 172.531,927 78.297,928 153.024,929 91.997,930 47.145,931 109.575,933 153.024,934 36.145,935 11,937 16.52,938 66,939 87.774,940 31.278,941 153.024,942 50.269,943 198.447,946 153.024,947 74.596,948 48.678,950 125.442,951 153.024,952 50.269,953 198.447,955 0.591,956 0.355,957 0.188,958 0.105,959 21,960 9,961 0.05,962 2,963 1,964 1.095,965 3.571,966 207.29,967 0.095,968 21,969 106.039,970 1,974 16.394,975 6.673,976 3.114,978 50.269,979 7.314,983 1.375,984 3.884,987 401.741,988 34.5,993 12.453,995 1.558,997 0.546,999 37.993,1000 40.841,1001 0.355,1002 0.739,1003 0.851,1004 0.886,1005 0.896,1006 0.896,1007 4.834,1008 1.267,1009 5.765,1010 3.538,1011 4.369,1012 4.856,1013 1.724,1014 6.613,1015 4.196,1016 6.045,1017 1.066,1018 7.349,1019 3.104,1020 4.007,1021 4.718,1022 0.325,1023 7.573,1024 3.754,1025 7.366,1026 1,1027 9.034,1028 2.885,1029 5.999,1030 7.039,1031 1.676,1032 10.702,1033 5.705,1034 8.723,1035 0.827,1036 10.777,1037 2.147,1038 6.463,1039 7.741,1040 0.424,1041 12.489,1042 6.098,1043 10.114,1044 0.108,1045 12.557,1046 2.136,1047 7.93,1048 9.536,1049 1.733,1050 15.135,1051 7.529,1052 11.528,1053 -0.277,1054 14.362,1055 0.24,1056 8.764,1057 10.618,1058 0.581,1059 17.265,1060 8.301,1061 12.96,1062 -0.532,1063 16.185,1064 -0.718,1065 10.028,1066 12.204,1067 1.843,1068 19.75,1069 9.527,1070 3.249,1071 -0.657,1072 18.021,1073 -1.338,1074 11.032,1075 13.467,1076 0.788,1077 22.033,1078 10.476,1079 2.868,1080 11.31,1081 19.867,1082 -1.689,1083 12.218,1084 14.965,1085 1.986,1086 24.464,1087 11.622,1088 2.705,1089 9.18,1090 21.722,1091 4.295,1092 13.301,1093 16.317,1094 1.027,1095 26.818,1096 12.655,1097 2.415,1098 8.534,1099 23.584,1100 3.831,1101 14.461,1102 17.779,1103 2.153,1104 29.234,1105 13.772,1106 1.825,1107 7.678,1108 25.452,1109 3.325,1110 15.583,1111 19.175,1112 1.284,1113 31.622,1114 14.846,1115 1.809,1116 5.519,1117 27.325,1118 2.961,1119 16.737,1120 20.624,1121 2.337,1122 34.037,1123 15.956,1124 1.414,1125 4.67,1126 29.203,1127 2.416,1128 17.878,1129 22.044,1130 1.553,1131 36.442,1132 17.05,1133 5824,1134 11198,1135 18.205,1136 28.063,1137 41.582,1138 43.249,1139 42.44,1140 41.172,1141 41.109,1142 51.893,1143 5.281,1144 121.882,1145 37.145,1146 5.597,1147 5.649,1148 6.628,1149 5.336,1150 5.249,1151 7.295,1152 2.22,1153 18.691,1154 5.085,1155 10.57,1156 1.54,1157 1.602,1158 1.572,1159 1.525,1160 1.523,1161 1.922,1162 0.196,1163 4.514,1164 1.376,1165 4.042,1166 4.042,1167 4.285,1168 4.032,1169 7.428,1170 3.995,1171 3.838,1172 3.868,1173 4.081,1174 3.772,1175 5.052,1176 3.751,1177 3.716,1178 3.735,1179 3.708,1180 3.565,1181 4.829,1182 3.562,1183 3.346,1184 3.357,1185 3.404,1186 3.238,1187 4.605,1188 3.235,1189 3.111,1190 3.206,1191 3.38,1192 2.941,1193 4.49,1194 2.91,1195 2.939,1196 2.948,1197 3.279,1198 2.845,1199 4.323,1200 2.801,1201 2.878,1202 2.921,1203 2.866,1204 2.783,1205 4.068,1206 2.756,1207 2.758,1208 2.775,1209 2.859,1210 2.534,1211 3.677,1212 2.576,1213 0.17,1214 0.135,1215 0.253,1216 0.155,1217 0.12,1218 4.597,1219 0.159,1220 3.649,1221 0.042,1222 6.826,1223 0.419,1224 4.198,1225 0.114,1226 3.249,1227 4.295,1228 1.138,1229 11.31,1230 3.085,1231 1.91,1232 1.899,1233 1.963,1234 2.003,1235 1.207,1236 1.991,1237 1.77,1238 1.745,1239 1.926,1240 1.941,1241 1.117,1242 1.951,1243 1.574,1244 1.551,1245 1.66,1246 1.743,1247 0.825,1248 1.727,1249 1.335,1250 1.338,1251 1.513,1252 1.376,1253 0.8,1254 1.429,1255 1.153,1256 1.064,1257 1.351,1258 1.369,1259 0.577,1260 1.412,1261 1.008,1262 1.001,1263 1.086,1264 1.152,1265 0.347,1266 1.154,1267 0.868,1268 0.824,1269 1.079,1270 1.012,1271 0.168,1272 1.056,1273 0.669,1274 0.63,1275 0.905,1276 0.901,1277 0.148,1278 0.955,1279 4.007,1281 5.352,1282 2.398,1283 6.899,1284 4.727,1285 8.535,1286 6.862,1287 10.218,1290 12.114,1295 2.678,1297 11.437,1300 2.028,1305 26.696,1306 68.402,1307 142.385,1308 163.995,1309 170.75,1310 172.75,1311 172.75,1312 38.674,1313 7.469,1314 42.68,1315 70.92,1316 23,1317 12.599,1318 3.807,1319 3.087,1320 33.711,1321 76,1322 77,1323 0.219,1324 170.355,1325 299.24,1326 407.425,1327 16549,1328 5.4,1329 16.681,1330 0.695,1331 0.62,1332 18.035,1333 14.88,1334 11.631,1335 0.431,1336 0.337,1337 7.495,1338 10.195,1339 7.227,1340 5.849,1341 12.663,1342 9.103,1343 10.703,1344 0.274,1345 0.184,1346 11.969,1347 7.179,1348 9.474,1349 0.175,1350 0.106,1351 11.158,1352 5.699,1353 7.839,1354 0.109,1355 0.055,1356 9.075,1357 3.943,1358 6.454,1359 0.069,1360 0.029,1361 7.557,1362 2.709,1363 0.333,1364 83.647,1365 0.234,1366 22.987,1367 0.631,1368 132,1369 434.119,1370 197.036,1371 488.166,1372 643.63,1373 456,1374 159,1375 406.488,1376 221.629,1377 440.611,1378 656.59,1379 415,1380 7}
{0 CHEMBL2322234,1 1.875,2 10.038,3 4.238,4 17.961,5 93.472,6 9.535,7 0.379,8 3.846,9 3.918,10 3.649,11 3.425,12 5.036,13 3.429,14 4.432,15 4.548,16 4.116,17 3.82,18 6.094,19 3.823,20 4.596,21 4.744,22 4.139,23 3.907,24 5.858,25 3.896,26 4.637,27 4.799,28 4.043,29 3.879,30 5.998,31 3.849,32 4.569,33 4.757,34 3.884,35 3.781,36 5.765,37 3.725,38 4.355,39 4.496,40 3.825,41 3.718,42 5.579,43 3.663,44 4.329,45 4.443,46 3.835,47 3.661,48 5.744,49 3.609,50 4.332,51 4.486,52 3.88,53 3.471,54 5.822,55 3.44,56 0.23,57 0.766,58 4.773,59 4.152,60 32.601,61 3.795,62 1.039,63 1.617,64 14.407,65 7.26,66 146.418,67 6.387,68 0.77,69 1.382,70 18.624,71 8.668,72 66.244,73 8.402,74 1.02,75 1.505,76 20.972,77 9.593,78 104.043,79 9.129,80 1.008,81 1.283,82 24.393,83 9.142,84 114.741,85 9.147,86 0.593,87 1.028,88 15.94,89 7.485,90 74.939,91 7.163,92 0.624,93 1.137,94 15.783,95 7.508,96 74.987,97 6.363,98 0.917,99 1.266,100 23.208,101 8.044,102 95.79,103 6.722,104 18,105 43,106 0.331,107 0.683,108 0.778,109 0.796,110 0.796,111 0.796,112 3.305,113 0.918,114 -4.17,115 -4.11,116 -3.89,119 45,125 4,132 1,135 1,139 1,142 4,143 3,144 1,151 1,152 1,157 1,172 7,174 1,175 4,183 9,186 1,187 3,195 7,198 2,199 4,207 4,211 1,212 6,220 3,224 5,232 3,236 1,237 5,245 2,250 4,258 1,263 2,275 992,276 17.264,277 17.264,278 17.264,279 17.264,280 17.264,281 15.745,282 17.713,283 9.915,284 18.02,285 14.322,286 14.322,287 14.322,288 14.322,289 14.322,290 11.856,291 20.529,292 4.7,293 15.619,294 3.447,295 1.457,296 0.919,297 0.819,298 0.819,299 0.819,300 3.998,304 1,305 1,306 566,307 3.162,310 55.95,311 221.401,314 101.569,318 1.586,319 47.888,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 261,332 4.596,333 4.46,334 7.112,335 4.215,336 3.321,337 4.285,338 3.825,339 11.662,340 3.09,341 4.428,342 3.648,343 6.822,344 4.145,345 3.233,346 3.813,347 1.138,348 11.291,349 2.864,350 4.071,351 3.178,352 6.164,353 3.737,354 2.798,355 3.404,356 0.86,357 9.12,358 2.639,359 3.807,360 3.032,361 5.958,362 3.502,363 2.541,364 3.079,365 0.643,366 8.29,367 2.398,368 3.394,369 2.483,370 5.104,371 2.976,372 2,373 2.606,375 5.827,376 1.919,377 2.998,378 2.316,379 4.63,380 2.701,381 1.819,382 2.058,384 4.721,385 1.595,386 2.912,387 1.953,388 4.537,389 2.513,390 1.576,391 1.971,393 4.665,394 1.433,395 2.572,396 1.749,397 4.068,398 2.086,399 1.264,400 1.588,402 3.046,403 1.029,404 2.5,405 1.269,406 3.754,407 2,408 1.033,409 1.5,411 2.857,412 1,413 2.396,414 1.256,415 3.444,416 1.965,417 1,418 1.332,420 2.275,421 0.947,422 2.176,423 1.148,424 3.414,425 1.952,426 1,427 1.051,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.679,434 0.805,435 1,436 2.131,437 0.679,438 1.249,439 0.51,440 2.843,441 0.726,442 -0.218,443 -0.282,445 -0.56,446 -0.196,447 0.91,448 0.51,449 2.696,450 0.529,451 -0.456,452 -0.605,454 -1.19,455 -0.444,456 0.543,457 0.436,458 2.551,459 0.337,460 -0.605,461 -0.687,463 -1.44,464 -0.572,465 12.09,466 0.465,467 0.826,468 0.032,469 30.75,470 1.183,471 13.5,472 0.519,473 17.25,474 0.663,475 21.913,476 0.843,477 28.71,478 0.718,479 24.629,480 0.947,481 6.204,482 0.239,483 6.228,484 0.24,485 0.098,486 0.041,487 0.323,490 3,493 0.622,494 0.902,495 0.606,496 0.944,497 0.563,498 0.862,499 0.651,500 0.628,501 0.802,502 0.816,503 0.4,504 0.813,505 0.772,506 0.785,507 0.757,508 0.925,509 0.567,510 0.915,511 0.989,512 0.933,513 0.978,514 0.95,515 0.9,516 1.029,517 0.937,518 0.75,519 1.054,520 0.882,521 0.856,522 0.924,523 0.75,524 0.695,525 1.049,526 1.025,527 0.733,528 1.034,529 0.899,530 1.05,531 1.434,532 1.407,533 1.001,534 1.318,535 0.867,536 1.301,537 1.365,538 1.616,539 1.085,540 1.305,541 6,542 0.153,543 3.778,544 1.785,545 1.348,546 1.122,547 0.705,548 0.418,549 0.26,550 0.217,551 7778,552 30358,553 2.092,554 35,556 13,557 1,564 1.692,565 1.938,566 3.295,567 -0.684,569 1,573 75.006,574 1.875,575 3.865,576 4.403,577 4.503,578 4.503,579 4.503,580 2.749,581 4.104,582 4.67,583 3.469,584 1127.43,585 8.099,586 13703.2,588 1,590 1,591 212.877,592 1.619,593 4.616,594 0.207,595 0.01,596 0.088,597 0.042,598 0.035,599 0.034,600 0.022,601 0.014,602 0.01,603 0.013,604 0.474,605 0.5,606 1,607 0.777,608 126.036,609 -0.04,610 -0.065,611 0.044,612 -0.018,613 -0.065,614 0.003,615 0.217,616 0.327,617 0.038,618 0.136,619 0.359,620 0.067,621 -0.053,622 -0.054,623 0.098,624 -0.011,625 0.019,626 0.043,627 -0.091,628 -0.036,629 -0.064,630 -0.002,631 -0.052,632 -0.049,633 -0.094,634 0.046,635 -0.019,636 0.112,637 -0.098,638 0.12,639 -0.095,640 -0.035,641 -0.088,642 -0.015,643 -0.062,644 -0.035,645 -0.104,646 -0.215,647 -0.343,648 -0.289,649 -0.093,650 -0.365,651 0.176,652 -0.218,653 -0.041,654 -0.406,655 -0.017,656 -0.287,657 5.634,658 5.416,659 0.808,660 23.408,661 1.044,662 1.135,663 2.941,664 8.65,665 0.698,666 3.401,667 3.784,668 4.06,669 4.331,670 4.575,671 4.745,672 4.934,673 5.043,674 5.147,675 5.268,676 6.01,677 0.693,678 381.4,679 3.401,680 4.977,681 5.844,682 6.749,683 7.635,684 8.544,685 9.439,686 10.35,687 11.25,688 12.163,689 2.5,692 1,704 5,708 1,709 5,711 11,716 1,729 1,731 40,733 13,734 1,735 29,737 43,738 18,739 10,740 2,741 4,742 3,746 4,747 5,752 1,757 1,761 13,762 5,766 2,771 1,773 1,775 2,778 1,779 3,781 14,782 7,784 8,785 1,790 1,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,846 3,848 26,854 4,856 2,859 1,860 1,865 1,869 3,870 7.5,873 1,874 1,875 1,877 13.417,878 7.295,879 5.472,880 2.364,881 2.531,882 1.331,883 1.014,884 4.533,885 10.176,886 3.624,887 4.216,888 4.793,889 5.357,890 5.832,891 6.242,892 6.672,893 7.016,894 7.365,895 7.691,896 0.857,897 43,898 10.084,900 4.877,901 8.298,902 17.779,904 14.999,905 2.798,906 72.75,909 1,910 164.795,911 133.57,912 3.124,914 47.145,915 44.88,916 31.278,917 102.293,918 211.94,919 48.005,921 13.396,922 55.03,923 41.278,924 78.619,925 13.13,926 184.302,927 7.76,928 164.795,929 105.417,930 92.025,931 31.278,933 164.795,934 81.025,935 11,937 24.28,938 71.661,939 9.476,940 31.278,941 209.676,942 50.269,943 133.57,946 172.555,947 70.78,948 58.155,950 92.025,951 164.795,952 95.149,953 133.57,955 0.6,956 0.344,957 0.178,958 0.096,959 23,960 10,961 0.047,962 2,963 1,964 1.095,965 3.723,966 229.107,967 0.095,968 21,969 109.457,970 1,974 17.564,975 6.711,976 3.414,978 95.149,979 6.588,983 1.229,984 1.342,987 393.515,988 36.5,993 12.416,995 1.459,997 0.299,999 41.767,1000 45.387,1001 0.352,1002 0.726,1003 0.827,1004 0.846,1005 0.846,1006 0.846,1007 4.911,1008 1.264,1009 5.883,1010 4.665,1011 4.466,1012 4.902,1013 3.237,1014 6.767,1015 4.309,1016 6.138,1017 1.033,1018 7.497,1019 3.046,1020 4.29,1021 4.808,1022 3.911,1023 7.972,1024 4.003,1025 7.474,1026 1,1027 9.223,1028 2.857,1029 6.18,1030 7.073,1031 5.439,1032 11.011,1033 5.872,1034 8.846,1035 1,1036 11.014,1037 2.275,1038 6.804,1039 7.788,1040 6.69,1041 12.992,1042 6.357,1043 10.252,1044 0.805,1045 12.846,1046 2.136,1047 8.227,1048 9.562,1049 8.059,1050 15.613,1051 7.744,1052 11.68,1053 -0.218,1054 14.706,1055 2.131,1056 9.176,1057 10.642,1058 9.389,1059 17.873,1060 8.566,1061 13.125,1062 -0.456,1063 16.584,1064 -0.56,1065 10.436,1066 12.216,1067 10.734,1068 20.366,1069 9.77,1070 3.321,1071 -0.605,1072 18.475,1073 -1.19,1074 11.519,1075 13.473,1076 12.074,1077 22.733,1078 10.741,1079 3.233,1080 11.662,1081 20.377,1082 -1.44,1083 12.723,1084 14.964,1085 13.416,1086 25.187,1087 11.874,1088 2.798,1089 11.291,1090 22.286,1091 4.285,1092 13.863,1093 16.308,1094 14.758,1095 27.596,1096 12.913,1097 2.541,1098 9.12,1099 24.202,1100 3.813,1101 15.049,1102 17.765,1103 16.1,1104 30.039,1105 14.022,1106 2,1107 8.29,1108 26.123,1109 3.404,1110 16.212,1111 19.155,1112 17.441,1113 32.466,1114 15.093,1115 1.819,1116 5.827,1117 28.047,1118 3.079,1119 17.395,1120 20.6,1121 18.783,1122 34.907,1123 16.196,1124 1.576,1125 4.721,1126 29.976,1127 2.606,1128 18.57,1129 22.014,1130 20.124,1131 37.343,1132 17.284,1133 7443,1134 14871,1135 19.186,1136 27.921,1137 45.494,1138 45.227,1139 45.334,1140 44.928,1141 44.78,1142 55.374,1143 12.932,1144 136.043,1145 41.081,1146 5.596,1147 6.46,1148 6.913,1149 5.353,1150 5.321,1151 7.285,1152 5.335,1153 19.036,1154 5.09,1155 13.11,1156 1.569,1157 1.56,1158 1.563,1159 1.549,1160 1.544,1161 1.909,1162 0.446,1163 4.691,1164 1.417,1165 4.049,1166 4.054,1167 4.276,1168 4.031,1169 8.513,1170 3.997,1171 3.859,1172 3.888,1173 3.86,1174 3.772,1175 7.999,1176 3.76,1177 3.73,1178 3.759,1179 3.707,1180 3.566,1181 7.999,1182 3.566,1183 3.398,1184 3.42,1185 3.383,1186 3.246,1187 7.428,1188 3.254,1189 3.217,1190 3.249,1191 3.327,1192 2.987,1193 4.877,1194 3.007,1195 3.111,1196 3.206,1197 2.893,1198 2.941,1199 4.66,1200 2.91,1201 2.91,1202 2.925,1203 2.866,1204 2.735,1205 4.576,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.588,1211 4.207,1212 2.649,1213 0.158,1214 0.154,1215 0.245,1216 0.145,1217 0.115,1218 4.596,1219 0.148,1220 4.46,1221 0.132,1222 7.112,1223 0.402,1224 4.215,1225 0.107,1226 3.321,1227 4.285,1228 3.825,1229 11.662,1230 3.09,1231 1.933,1232 1.915,1233 2.018,1234 2.021,1235 1.207,1236 2.016,1237 1.772,1238 1.748,1239 1.933,1240 1.977,1241 1.145,1242 1.968,1243 1.577,1244 1.552,1245 1.669,1246 1.753,1247 0.825,1248 1.732,1249 1.378,1250 1.374,1251 1.513,1252 1.507,1253 0.808,1254 1.481,1255 1.153,1256 1.064,1257 1.401,1258 1.376,1259 0.621,1260 1.429,1261 1.033,1262 1.027,1263 1.181,1264 1.247,1265 0.352,1266 1.217,1267 0.909,1268 0.875,1269 1.079,1270 1.148,1271 0.218,1272 1.133,1273 0.886,1274 0.821,1275 1.02,1276 1.062,1277 0.164,1278 1.107,1279 4.078,1281 5.442,1282 2.398,1283 7,1284 4.727,1285 8.64,1286 6.862,1287 10.323,1291 38.26,1295 2.344,1297 11.268,1300 1.929,1301 -4.384,1305 27.717,1306 75.006,1307 154.612,1308 176.122,1309 180.122,1310 180.122,1311 180.122,1312 55.269,1313 7.644,1314 42.68,1315 70.92,1316 23,1317 12.679,1318 3.807,1319 3.087,1320 38.002,1321 92,1322 88,1323 0.203,1324 166.876,1325 304.33,1326 398.937,1327 20813,1328 7.5,1329 18.311,1330 0.704,1331 0.551,1332 16.165,1333 14.323,1334 12.432,1335 0.429,1336 0.306,1337 7.881,1338 11.267,1339 7.732,1340 6.249,1341 11.674,1342 8.87,1343 12.154,1344 0.283,1345 0.158,1346 10.72,1347 6.811,1348 9.832,1349 0.172,1350 0.092,1351 9.665,1352 5.252,1353 8.274,1354 0.11,1355 0.051,1356 8.425,1357 3.82,1358 6.568,1359 0.068,1360 0.027,1361 7.004,1362 2.561,1363 0.314,1364 84.35,1365 0.228,1366 24.837,1367 0.571,1368 144,1369 650.045,1370 195.014,1371 552.456,1372 720.26,1373 514,1374 172,1375 485.762,1376 217.876,1377 481.143,1378 734,1379 452,1380 6.259}
{0 CHEMBL2322235,1 1.614,2 11.462,3 3.87,4 14.975,5 102.525,6 8.545,7 0.379,8 3.89,9 3.965,10 3.627,11 3.491,12 5.027,13 3.47,14 4.424,15 4.552,16 3.972,17 3.855,18 5.529,19 3.823,20 4.579,21 4.729,22 4.047,23 3.922,24 5.701,25 3.879,26 4.528,27 4.687,28 3.84,29 3.863,30 5.671,31 3.785,32 4.484,33 4.685,34 3.742,35 3.771,36 5.532,37 3.686,38 4.376,39 4.536,40 3.82,41 3.789,42 5.514,43 3.701,44 4.328,45 4.446,46 3.765,47 3.776,48 5.511,49 3.647,50 4.168,51 4.312,52 3.544,53 3.536,54 5.282,55 3.428,56 0.054,57 0.551,58 7.269,59 4.18,60 6.559,61 4.467,62 0.351,63 0.95,64 17.272,65 7.175,66 22.585,67 7.291,68 0.441,69 1.098,70 21.444,71 8.445,72 31.642,73 8.829,74 0.428,75 1.016,76 19.65,77 8.478,78 38.791,79 9.572,80 0.382,81 0.987,82 20.274,83 8.146,84 37.697,85 10.039,86 0.245,87 0.887,88 17.036,89 7.614,90 36.388,91 8.441,92 0.33,93 0.876,94 21.11,95 8.403,96 39.114,97 8.063,98 0.18,99 0.756,100 19.335,101 7.148,102 20.231,103 7.198,104 6,105 40,106 0.279,107 0.649,108 0.781,109 0.805,110 0.805,111 0.805,112 3.304,113 0.948,114 -3.42,115 -3.4,116 -3.25,119 46.5,124 1,125 4,135 1,139 1,141 2,142 4,143 2,144 2,151 1,152 1,157 1,172 7,174 1,175 6,183 9,186 1,187 5,195 9,198 2,199 4,207 6,211 1,212 6,220 4,224 5,232 3,236 1,237 6,245 3,250 6,258 2,262 1,263 6,271 2,275 1056,276 18.024,277 18.024,278 18.024,279 18.024,280 18.024,281 16.22,282 20.656,283 10.667,284 18.707,285 14.264,286 14.264,287 14.264,288 14.264,289 14.264,290 11.318,291 21.749,292 5.009,293 15.27,294 3.812,295 1.664,296 0.901,297 0.762,298 0.762,299 0.762,300 4.005,303 1,304 1,305 1,306 653,307 2.646,310 57.533,311 230.554,314 104.043,318 1.692,319 25.494,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 298,332 4.567,333 3.661,334 6.72,335 4.139,336 3.197,337 4.237,338 1.138,339 10.927,340 3.01,341 4.177,342 3.192,343 6.103,344 3.675,345 2.747,346 3.718,347 0.86,348 8.918,349 2.614,350 3.981,351 3.119,352 5.623,353 3.615,354 2.646,355 3.33,356 0.86,357 7.405,358 2.507,359 3.785,360 2.942,361 5.471,362 3.322,363 2.327,364 3.008,365 0.643,366 7.15,367 2.297,368 3.52,369 2.674,370 5.105,371 3.114,372 2.149,373 2.747,375 6.249,376 2.055,377 3.125,378 2.399,379 4.537,380 2.702,381 1.82,382 2.056,384 4.673,385 1.595,386 2.98,387 2.073,388 4.478,389 2.399,390 1.431,391 1.932,393 4.152,394 1.368,395 2.604,396 1.735,397 3.754,398 2.079,399 1.252,400 1.56,402 2.938,403 1.024,404 2.5,405 1.264,406 3.449,407 2,408 1,409 1.5,411 2.275,412 1,413 2.48,414 1.256,415 3.414,416 1.952,417 1,418 1.217,420 2.269,421 0.946,422 2.185,423 1.224,424 3.247,425 1.795,426 0.928,427 1.005,428 2.136,429 0.785,430 2,431 1,432 3.24,433 1.627,434 0.711,435 1,436 1.58,437 0.637,438 1.679,439 0.765,440 2.738,441 1.301,442 0.399,443 0.51,445 0.669,446 0.356,447 1.245,448 0.475,449 2.692,450 0.718,451 -0.224,452 -0.282,454 -0.533,455 -0.201,456 0.882,457 0.076,458 2.51,459 0.529,460 -0.445,461 -0.582,463 -0.997,464 -0.426,465 12.567,466 0.483,467 0.516,468 0.02,469 33,470 1.269,471 16,472 0.615,473 17,474 0.654,475 20.475,476 0.787,477 27.033,478 0.629,479 23.449,480 0.902,481 6.66,482 0.256,483 6.082,484 0.234,485 0.066,487 0.31,493 0.801,494 1.165,495 0.678,496 0.964,497 0.592,498 0.87,499 1.266,500 0.844,501 0.921,502 0.781,503 0.776,504 0.745,505 1.21,506 0.908,507 0.866,508 0.886,509 1.02,510 0.865,511 0.936,512 1.002,513 0.932,514 0.963,515 0.922,516 1.036,517 0.735,518 0.902,519 0.685,520 0.798,521 0.883,522 0.855,523 0.957,524 0.893,525 0.871,526 0.877,527 1.497,528 0.896,529 1.025,530 1.233,531 1.81,532 1.546,533 1.534,534 1.291,535 0.903,536 1.417,537 1.692,538 1.699,539 0.822,540 1.289,541 4.5,542 0.09,543 2.889,544 1.132,545 1.343,546 0.913,547 0.404,548 0.285,549 0.237,550 0.133,551 8502,552 24676,553 2.148,554 39.5,556 16,557 1,564 1.689,565 2.053,566 3.466,567 -0.76,569 1,573 69.404,574 1.614,575 3.762,576 4.525,577 4.665,578 4.665,579 4.665,580 2.936,581 4.316,582 4.668,583 3.603,584 1171.13,585 8.084,586 14671.9,588 1,590 1,591 233.329,592 1.239,593 4.65,594 0.155,595 0.005,596 0.072,597 0.028,598 0.039,599 0.029,600 0.013,601 0.01,602 0.01,603 0.007,604 0.37,605 0.5,606 1,607 0.646,608 127.84,609 -0.032,610 -0.158,611 0.075,612 -0.05,613 -0.02,614 -0.011,615 -0.156,616 0.203,617 0.008,618 0.171,619 -0.033,620 0.141,621 -0.097,622 0.11,623 0.062,624 0.051,625 -0.054,626 0.049,627 0.036,628 -0.048,629 -0.057,630 -0.035,631 0.046,632 -0.083,633 0.097,634 0.039,635 0.183,636 0.114,637 0.06,638 0.154,639 -0.082,640 0.075,641 0.098,642 0.123,643 -0.086,644 0.082,645 -0.06,646 -0.195,647 -0.393,648 -0.252,649 -0.174,650 -0.299,651 -0.04,652 -0.379,653 -0.299,654 -0.438,655 -0.017,656 -0.271,657 1.699,658 5.431,659 0.808,660 24.615,661 1.013,662 1.106,663 2.189,664 4.792,665 0.711,666 3.401,667 3.714,668 4.007,669 4.263,670 4.5,671 4.585,672 4.71,673 4.836,674 4.92,675 4.984,676 6.495,677 0.681,678 367.45,679 3.401,680 4.934,681 5.79,682 6.663,683 7.536,684 8.418,685 9.299,686 10.186,687 11.073,688 11.964,689 2.3,692 1,704 5,708 1,709 5,711 11,716 1,729 2,731 43,733 14,734 1,735 29,737 46,738 20,739 10,740 2,741 4,742 3,746 4,747 5,760 2,761 13,762 5,766 2,771 1,773 1,775 2,778 1,781 17,782 5,784 6,785 1,790 1,794 0.75,795 4,811 1,812 3,815 1,819 2,831 1,836 1,839 1,840 3,842 1,844 1,848 26,854 4,856 3,859 1,861 1,865 1,868 2,870 9.3,873 1,874 1,875 2,877 12.667,878 8.283,879 5.778,880 2.528,881 3.452,882 1.456,883 0.996,884 5.073,885 11.022,886 3.676,887 4.23,888 4.841,889 5.399,890 5.883,891 6.289,892 6.68,893 7.109,894 7.521,895 7.886,896 0.875,897 40,898 9.609,900 4.086,901 7.731,902 18.33,904 14.93,905 2.231,906 58,909 1,910 200.109,911 172.813,912 3.124,914 58.145,916 31.278,917 141.535,918 258.253,919 3.124,920 10.883,921 13.396,922 55.03,923 41.278,924 46.797,925 47.191,926 219.615,928 200.109,929 144.659,930 58.145,931 31.278,933 200.109,934 47.145,935 11,937 16.52,938 84.602,939 43.537,940 31.278,941 200.109,942 61.269,943 172.813,946 200.109,947 72.838,948 69.038,949 34.061,950 58.145,951 200.109,952 61.269,953 172.813,955 0.576,956 0.343,957 0.183,958 0.101,959 20,960 8,961 0.043,962 2,963 1,964 1.095,965 3.896,966 219.583,967 0.095,968 21,969 114.211,970 1,974 17.292,975 7.627,976 3.71,978 61.269,979 9.402,983 1.365,984 3.55,987 434.191,988 38.5,993 12.431,995 1.56,997 0.548,999 43.556,1000 47.578,1001 0.297,1002 0.693,1003 0.834,1004 0.86,1005 0.86,1006 0.86,1007 4.925,1008 1.252,1009 5.759,1010 4.152,1011 4.394,1012 4.916,1013 1.958,1014 6.558,1015 4.273,1016 6.129,1017 1,1018 7.307,1019 2.938,1020 3.892,1021 4.59,1022 0.325,1023 7.434,1024 3.754,1025 7.438,1026 1,1027 8.956,1028 2.275,1029 5.974,1030 7.074,1031 1.862,1032 10.535,1033 5.754,1034 8.782,1035 0.928,1036 10.665,1037 2.269,1038 6.33,1039 7.619,1040 0.424,1041 12.27,1042 6.071,1043 10.159,1044 0.711,1045 12.415,1046 2.136,1047 7.84,1048 9.521,1049 1.867,1050 14.883,1051 7.518,1052 11.559,1053 0.399,1054 14.192,1055 1.58,1056 8.598,1057 10.482,1058 0.581,1059 16.978,1060 8.218,1061 12.976,1062 -0.224,1063 15.99,1064 0.669,1065 9.876,1066 12.13,1067 1.933,1068 19.432,1069 9.441,1070 3.197,1071 -0.445,1072 17.804,1073 -0.533,1074 10.831,1075 13.308,1076 0.788,1077 21.687,1078 10.329,1079 2.747,1080 10.927,1081 19.63,1082 -0.997,1083 12.017,1084 14.837,1085 2.045,1086 24.089,1087 11.458,1088 2.646,1089 8.918,1090 21.468,1091 4.237,1092 13.068,1093 16.133,1094 1.027,1095 26.415,1096 12.441,1097 2.327,1098 7.405,1099 23.313,1100 3.718,1101 14.22,1102 17.607,1103 2.191,1104 28.802,1105 13.536,1106 2.149,1107 7.15,1108 25.167,1109 3.33,1110 15.32,1111 18.966,1112 1.284,1113 31.16,1114 14.568,1115 1.82,1116 6.249,1117 27.027,1118 3.008,1119 16.464,1120 20.416,1121 2.36,1122 33.544,1123 15.651,1124 1.431,1125 4.673,1126 28.892,1127 2.747,1128 17.588,1129 21.809,1130 1.553,1131 35.917,1132 16.71,1133 8030,1134 13827,1135 19.879,1136 30.563,1137 44.648,1138 44.878,1139 44.074,1140 43.142,1141 43.212,1142 55.641,1143 7.001,1144 122.678,1145 40.388,1146 5.567,1147 5.661,1148 6.522,1149 5.276,1150 5.197,1151 7.237,1152 2.22,1153 18.066,1154 5.01,1155 9.477,1156 1.54,1157 1.548,1158 1.52,1159 1.488,1160 1.49,1161 1.919,1162 0.241,1163 4.23,1164 1.393,1165 4.013,1166 4.015,1167 4.269,1168 3.999,1169 7.428,1170 3.96,1171 3.887,1172 3.905,1173 3.855,1174 3.827,1175 4.982,1176 3.816,1177 3.75,1178 3.788,1179 3.708,1180 3.575,1181 4.827,1182 3.582,1183 3.42,1184 3.432,1185 3.38,1186 3.292,1187 4.654,1188 3.304,1189 3.262,1190 3.312,1191 3.273,1192 3.11,1193 4.549,1194 3.088,1195 3.111,1196 3.206,1197 2.985,1198 2.941,1199 4.277,1200 2.91,1201 3.02,1202 3.049,1203 2.866,1204 2.878,1205 4.048,1206 2.857,1207 2.876,1208 2.925,1209 2.811,1210 2.735,1211 3.676,1212 2.715,1213 0.157,1214 0.126,1215 0.232,1216 0.143,1217 0.11,1218 4.567,1219 0.146,1220 3.661,1221 0.039,1222 6.72,1223 0.377,1224 4.139,1225 0.104,1226 3.197,1227 4.237,1228 1.138,1229 10.927,1230 3.01,1231 1.907,1232 1.89,1233 1.999,1234 1.999,1235 1.206,1236 1.992,1237 1.781,1238 1.76,1239 1.935,1240 1.977,1241 1.062,1242 1.973,1243 1.598,1244 1.569,1245 1.699,1246 1.768,1247 0.825,1248 1.748,1249 1.482,1250 1.484,1251 1.578,1252 1.562,1253 0.824,1254 1.576,1255 1.198,1256 1.142,1257 1.513,1258 1.458,1259 0.634,1260 1.492,1261 1.153,1262 1.064,1263 1.481,1264 1.376,1265 0.571,1266 1.429,1267 1.032,1268 1.019,1269 1.181,1270 1.156,1271 0.348,1272 1.168,1273 0.886,1274 0.844,1275 1.079,1276 1.062,1277 0.218,1278 1.107,1279 4.078,1281 5.389,1282 2.398,1283 6.903,1284 4.727,1285 8.505,1286 6.843,1287 10.155,1289 1.631,1295 2.696,1297 16.549,1300 2.03,1304 6.237,1305 29.282,1306 69.404,1307 161.766,1308 194.574,1309 200.574,1310 200.574,1311 200.574,1312 38.592,1313 7.57,1314 51.91,1315 80.15,1316 23,1317 12.493,1318 3.907,1319 3.392,1320 38.121,1321 99,1322 119,1323 0.185,1324 180.607,1325 324.23,1326 432.442,1327 20462,1329 17.933,1330 0.69,1331 0.581,1332 18.286,1333 15.097,1334 12.742,1335 0.439,1336 0.316,1337 8.211,1338 11.716,1339 7.949,1340 6.531,1341 13.196,1342 9.165,1343 11.144,1344 0.279,1345 0.168,1346 11.669,1347 6.714,1348 9.812,1349 0.182,1350 0.096,1351 10.6,1352 5.161,1353 8.083,1354 0.115,1355 0.052,1356 8.907,1357 3.605,1358 6.546,1359 0.074,1360 0.026,1361 7.197,1362 2.324,1363 0.292,1364 85.074,1365 0.224,1366 25.254,1367 0.504,1368 138,1369 453.448,1370 174.876,1371 444.858,1372 606.66,1373 420,1374 163,1375 424.308,1376 201.057,1377 441.459,1378 648.9,1379 414,1380 6.616}
{0 CHEMBL2322236,1 1.692,2 10.654,3 2.416,4 5.838,5 100.581,6 8.42,7 0.379,8 3.912,9 4.001,10 3.63,11 3.492,12 5.035,13 3.47,14 4.455,15 4.592,16 4.006,17 3.878,18 5.587,19 3.841,20 4.667,21 4.83,22 4.077,23 3.967,24 5.782,25 3.923,26 4.649,27 4.821,28 3.993,29 3.978,30 5.778,31 3.898,32 4.648,33 4.831,34 3.914,35 3.923,36 5.732,37 3.831,38 4.538,39 4.713,40 3.823,41 3.841,42 5.652,43 3.748,44 4.409,45 4.565,46 3.749,47 3.735,48 5.598,49 3.631,50 4.295,51 4.464,52 3.556,53 3.609,54 5.344,55 3.49,56 0.073,57 0.621,58 7.858,59 4.271,60 7.399,61 4.708,62 0.351,63 1.034,64 17.676,65 7.35,66 24.063,67 8.099,68 0.557,69 1.228,70 24.089,71 8.704,72 46.995,73 9.422,74 0.462,75 1.18,76 23.179,77 9.659,78 40.05,79 11.28,80 0.508,81 1.163,82 25.817,83 9.82,84 47.398,85 11.342,86 0.384,87 1.054,88 22.608,89 8.874,90 48.123,91 9.85,92 0.44,93 0.973,94 21.547,95 7.83,96 47.527,97 8.459,98 0.241,99 0.864,100 20.653,101 7.571,102 23.343,103 8.213,104 12,105 41,106 0.292,107 0.669,108 0.798,109 0.814,110 0.814,111 0.814,112 3.305,113 0.958,114 -2.83,115 -2.84,116 -2.75,119 43.2,120 1,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,158 1,172 5,174 1,175 5,178 1,180 3,183 7,186 1,187 3,192 2,195 6,198 2,199 6,204 1,207 5,211 1,212 8,217 1,220 5,224 5,232 3,236 1,237 6,240 1,242 1,245 3,250 2,262 1,263 4,266 2,268 1,271 1,275 1028,276 17.654,277 17.654,278 17.654,279 17.654,280 17.654,281 15.889,282 20.098,283 10.432,284 18.18,285 14.347,286 14.347,287 14.347,288 14.347,289 14.347,290 11.541,291 26.134,292 4.985,293 15.196,294 3.767,295 1.581,296 0.835,297 0.744,298 0.744,299 0.744,300 4.003,303 1,304 1,305 1,306 602,307 2.828,310 56.189,311 222.371,314 101.983,318 1.731,319 28.844,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 277,332 4.591,333 3.648,334 6.823,335 4.194,336 3.244,337 4.282,338 1.907,339 11.297,340 3.085,341 4.132,342 3.533,343 6.165,344 3.771,345 2.817,346 3.655,347 1.138,348 9.126,349 2.713,350 3.93,351 3.179,352 5.963,353 3.587,354 2.638,355 3.282,356 0.86,357 8.32,358 2.484,359 3.722,360 3.036,361 5.44,362 3.423,363 2.439,364 2.97,365 0.643,366 7.21,367 2.371,368 3.423,369 2.589,370 5.051,371 3.02,372 2,373 2.618,374 0.149,375 5.633,376 2.024,377 3.165,378 2.382,379 4.537,380 2.743,381 1.82,382 2.329,384 4.671,385 1.724,386 2.978,387 2.16,388 4.428,389 2.7,390 1.74,391 1.998,393 4.522,394 1.594,395 2.583,396 1.761,397 4.068,398 2.092,399 1.267,400 1.603,402 3.103,403 1.038,404 2.5,405 1.277,406 3.754,407 2.01,408 1.066,409 1.5,411 2.885,412 1,413 2.433,414 1.256,415 3.444,416 2,417 1,418 1.372,420 2.275,421 0.991,422 2.18,423 1.205,424 3.414,425 1.952,426 1,427 1.064,428 2.147,429 0.946,430 2,431 1,432 3.247,433 1.692,434 0.827,435 1,436 2.136,437 0.691,438 1.354,439 0.647,440 2.735,441 0.968,447 1.171,448 0.427,449 2.686,450 0.665,451 -0.294,452 -0.386,454 -0.774,455 -0.269,456 0.685,457 0.09,458 2.484,459 0.407,460 -0.547,461 -0.649,463 -1.353,464 -0.525,465 12.467,466 0.479,467 0.644,468 0.025,469 32.75,470 1.26,471 15.5,472 0.596,473 17.25,474 0.663,475 21.228,476 0.816,477 27.733,478 0.63,479 23.883,480 0.919,481 6.491,482 0.25,483 6.123,484 0.235,485 0.094,487 0.353,493 0.757,494 1.216,495 0.69,496 0.965,497 0.553,498 0.885,499 0.974,500 0.998,501 0.867,502 0.883,503 0.59,504 0.835,505 1.276,506 0.872,507 0.919,508 0.844,509 1.121,510 0.871,511 0.823,512 0.964,513 0.869,514 0.957,515 0.64,516 0.979,517 0.972,518 0.989,519 0.99,520 1.004,521 0.939,522 0.985,523 1.117,524 1.017,525 1.084,526 1.027,527 1.34,528 1.016,529 0.961,530 1.181,531 1.414,532 1.312,533 1.301,534 1.19,535 0.86,536 1.327,537 1.504,538 1.555,539 0.844,540 1.312,541 5,542 0.12,543 2.889,544 1.535,545 1.428,546 0.997,547 0.662,548 0.312,549 0.19,550 0.158,551 7986,552 24143,553 2.124,554 40.9,556 13,557 1,559 1,560 3,564 1.691,565 2,566 3.381,567 -0.294,568 1,569 1,573 74.446,574 1.692,575 3.878,576 4.624,577 4.715,578 4.715,579 4.715,580 2.907,581 4.21,582 4.665,583 3.53,584 1147.26,585 8.092,586 14047.4,588 1,590 1,591 240.215,592 1.37,593 4.637,594 0.172,595 0.009,596 0.07,597 0.037,598 0.037,599 0.028,600 0.021,601 0.011,602 0.008,603 0.008,604 0.403,605 0.5,606 1,607 0.902,608 126.638,609 -0.051,610 -0.126,611 0.066,612 -0.016,613 -0.04,614 0.011,615 -0.033,616 0.071,617 0.037,618 0.084,619 0.042,620 0.079,621 -0.171,622 0.164,623 -0.004,624 0.083,625 -0.149,626 0.04,627 0.064,628 -0.002,629 0.04,630 0.013,631 0.09,632 0.002,633 -0.01,634 -0.048,635 0.009,636 0.009,637 -0.045,638 0.016,639 -0.15,640 -0.051,641 -0.068,642 0.001,643 -0.146,644 -0.027,645 0.003,646 -0.135,647 -0.234,648 -0.18,649 -0.078,650 -0.213,651 -0.063,652 -0.302,653 -0.275,654 -0.374,655 -0.06,656 -0.289,657 1.778,658 5.507,659 0.808,660 25.006,661 1.015,662 1.115,663 1.596,664 2.546,665 0.695,666 3.401,667 3.738,668 4.025,669 4.331,670 4.575,671 4.71,672 4.905,673 5.043,674 5.124,675 5.204,676 6.195,677 0.666,678 370.46,679 3.401,680 4.949,681 5.808,682 6.698,683 7.579,684 8.478,685 9.37,686 10.274,687 11.173,688 12.08,689 4.5,692 1,696 1,704 5,708 1,709 5,711 11,716 1,729 1,731 44,733 14,734 1,735 29,737 47,738 19,739 10,740 2,741 4,742 3,746 4,747 5,752 1,761 14,762 5,766 3,771 2,773 1,775 3,777 1,778 1,781 18,782 6,783 1,784 7,785 1,790 2,794 0.75,795 4,811 1,812 3,815 1,826 1,831 1,836 1,839 1,840 3,842 1,844 1,848 26,854 4,855 1,856 2,859 1,865 1,870 9.1,873 2,874 1,875 1,877 13,878 8.283,879 5.639,880 2.611,881 2.62,882 1.343,883 1.001,884 4.894,885 10.264,886 3.651,887 4.216,888 4.768,889 5.357,890 5.832,891 6.216,892 6.646,893 7.038,894 7.352,895 7.634,896 1,897 41,898 9.64,900 4.168,901 7.833,902 18.316,904 15.178,905 2.333,906 60.667,909 1,910 200.109,911 138.912,912 21.135,914 72.29,916 31.278,917 107.634,918 272.398,919 21.135,920 8.825,921 31.407,922 55.03,923 71.128,924 33.31,925 13.13,926 219.615,928 200.109,929 128.769,930 72.29,931 31.278,933 200.109,934 61.29,935 11,937 43.356,938 75.937,939 9.476,940 31.278,941 200.109,942 93.425,943 138.912,946 200.109,947 75.056,948 66.98,949 18.011,950 72.29,951 200.109,952 93.425,953 138.912,955 0.582,956 0.333,957 0.187,958 0.103,959 21,960 9,961 0.064,962 3,963 1,964 1.095,965 3.803,966 225.252,967 0.095,968 21,969 114.211,970 1,974 17.403,975 7.311,976 3.614,978 93.425,979 9.433,983 1.386,984 3.773,986 18.011,987 432.445,988 37.5,993 23.661,995 1.563,997 0.444,999 44.658,1000 49.076,1001 0.31,1002 0.71,1003 0.847,1004 0.864,1005 0.864,1006 0.864,1007 4.903,1008 1.267,1009 5.796,1010 4.522,1011 4.419,1012 4.902,1013 2.456,1014 6.621,1015 4.315,1016 6.101,1017 1.066,1018 7.359,1019 3.103,1020 4.007,1021 4.705,1022 1.668,1023 7.545,1024 3.907,1025 7.408,1026 1,1027 9.024,1028 2.885,1029 6.019,1030 7.034,1031 3.117,1032 10.669,1033 5.826,1034 8.749,1035 1,1036 10.75,1037 2.275,1038 6.431,1039 7.676,1040 3.057,1041 12.448,1042 6.225,1043 10.124,1044 0.827,1045 12.516,1046 2.147,1047 7.916,1048 9.484,1049 4.116,1050 15.09,1051 7.635,1052 11.522,1054 14.31,1055 2.136,1056 8.715,1057 10.523,1058 4.419,1059 17.224,1060 8.399,1061 12.94,1062 -0.294,1063 16.125,1065 9.988,1066 12.116,1067 5.278,1068 19.708,1069 9.612,1070 3.244,1071 -0.547,1072 17.957,1073 -0.774,1074 10.972,1075 13.354,1076 5.753,1077 21.997,1078 10.551,1079 2.817,1080 11.297,1081 19.8,1082 -1.353,1083 12.163,1084 14.857,1085 6.511,1086 24.429,1087 11.687,1088 2.638,1089 9.126,1090 21.654,1091 4.282,1092 13.237,1093 16.196,1094 7.07,1095 26.787,1096 12.711,1097 2.439,1098 8.32,1099 23.516,1100 3.655,1101 14.399,1102 17.661,1103 7.774,1104 29.205,1105 13.821,1106 2,1107 7.21,1108 25.385,1109 3.282,1110 15.518,1111 19.052,1112 8.375,1113 31.595,1114 14.887,1115 1.82,1116 5.633,1117 27.26,1118 2.97,1119 16.674,1120 20.503,1121 9.052,1122 34.011,1123 15.992,1124 1.74,1125 4.671,1126 29.141,1127 2.618,1128 17.814,1129 21.921,1130 9.674,1131 36.417,1132 17.08,1133 7629,1134 13381,1135 19.592,1136 30.568,1137 44.361,1138 45.654,1139 44.806,1140 43.65,1141 43.716,1142 55.345,1143 9.393,1144 126.649,1145 41.322,1146 5.591,1147 5.648,1148 6.625,1149 5.332,1150 5.244,1151 7.282,1152 3.306,1153 18.662,1154 5.085,1155 11.595,1156 1.53,1157 1.574,1158 1.545,1159 1.505,1160 1.507,1161 1.908,1162 0.324,1163 4.367,1164 1.425,1165 4.046,1166 4.053,1167 4.276,1168 4.029,1169 7.431,1170 3.993,1171 3.85,1172 3.884,1173 3.827,1174 3.758,1175 7.427,1176 3.747,1177 3.73,1178 3.761,1179 3.707,1180 3.566,1181 4.886,1182 3.566,1183 3.515,1184 3.554,1185 3.426,1186 3.299,1187 4.696,1188 3.32,1189 3.329,1190 3.347,1191 3.365,1192 3.217,1193 4.59,1194 3.208,1195 3.111,1196 3.206,1197 2.956,1198 2.941,1199 4.232,1200 2.91,1201 2.938,1202 2.971,1203 2.866,1204 2.777,1205 3.924,1206 2.757,1207 2.854,1208 2.925,1209 2.762,1210 2.735,1211 3.679,1212 2.715,1213 0.158,1214 0.126,1215 0.235,1216 0.145,1217 0.112,1218 4.591,1219 0.148,1220 3.648,1221 0.066,1222 6.823,1223 0.39,1224 4.194,1225 0.106,1226 3.244,1227 4.282,1228 1.907,1229 11.297,1230 3.085,1231 1.927,1232 1.905,1233 2.02,1234 2.022,1235 1.207,1236 2.019,1237 1.772,1238 1.747,1239 1.933,1240 1.979,1241 1.133,1242 1.969,1243 1.578,1244 1.553,1245 1.716,1246 1.763,1247 0.825,1248 1.744,1249 1.471,1250 1.434,1251 1.659,1252 1.691,1253 0.809,1254 1.691,1255 1.306,1256 1.286,1257 1.513,1258 1.382,1259 0.724,1260 1.429,1261 1.153,1262 1.064,1263 1.385,1264 1.376,1265 0.59,1266 1.422,1267 1.009,1268 0.998,1269 1.181,1270 1.154,1271 0.35,1272 1.162,1273 0.886,1274 0.821,1275 1.079,1276 1.062,1277 0.218,1278 1.107,1279 4.078,1281 5.407,1282 2.398,1283 6.932,1284 4.727,1285 8.548,1286 6.862,1287 10.215,1289 1.474,1295 2.671,1296 2.747,1297 11.48,1300 2.033,1305 29.304,1306 74.446,1307 170.651,1308 203.46,1309 207.46,1310 207.46,1311 207.46,1312 43.038,1313 7.644,1314 71.78,1315 100.02,1316 23,1317 12.599,1318 3.907,1319 3.248,1320 38.035,1321 94,1322 105,1323 0.198,1324 180.737,1325 320.57,1326 432.757,1327 21143,1329 18.096,1330 0.696,1331 0.581,1332 18.449,1333 15.097,1334 12.614,1335 0.435,1336 0.319,1337 8.314,1338 11.598,1339 8.052,1340 6.597,1341 13.068,1342 9.257,1343 11.586,1344 0.283,1345 0.171,1346 12.111,1347 6.994,1348 9.532,1349 0.173,1350 0.095,1351 10.301,1352 5.245,1353 8.379,1354 0.112,1355 0.052,1356 9.23,1357 3.918,1358 6.764,1359 0.07,1360 0.027,1361 7.486,1362 2.626,1363 0.308,1364 84.181,1365 0.226,1366 24.998,1367 0.551,1368 140,1369 455.781,1370 178.265,1371 447.478,1372 605.7,1373 420,1374 166,1375 423.652,1376 204.394,1377 437.516,1378 645.46,1379 412,1380 7.071}
{0 CHEMBL2322239,1 1.619,2 8.455,3 3.296,4 10.862,5 87.499,6 8.47,7 0.44,8 3.747,9 3.826,10 3.489,11 3.373,12 4.83,13 3.338,14 4.294,15 4.419,16 3.855,17 3.764,18 5.358,19 3.715,20 4.501,21 4.669,22 3.937,23 3.832,24 5.536,25 3.772,26 4.456,27 4.621,28 3.821,29 3.799,30 5.553,31 3.711,32 4.429,33 4.612,34 3.742,35 3.727,36 5.445,37 3.631,38 4.296,39 4.448,40 3.67,41 3.663,42 5.423,43 3.571,44 4.203,45 4.34,46 3.471,47 3.55,48 5.409,49 3.425,50 4.043,51 4.235,52 3.111,53 3.318,54 5.001,55 3.16,56 0.031,57 0.486,58 6.539,59 3.66,60 4.245,61 4.042,62 0.239,63 0.855,64 14.864,65 6.376,66 15.264,67 6.754,68 0.369,69 1.031,70 20.826,71 7.999,72 23.871,73 8.758,74 0.363,75 0.958,76 19.388,77 8.162,78 31.758,79 9.268,80 0.384,81 0.947,82 21.599,83 8.142,84 29.539,85 9.149,86 0.245,87 0.827,88 17.521,89 7.117,90 29.964,91 7.436,92 0.333,93 0.775,94 18.336,95 6.838,96 40.86,97 6.697,98 0.159,99 0.67,100 16.38,101 6.034,102 18.566,103 6.732,104 2,105 35,106 0.291,107 0.638,108 0.749,109 0.786,110 0.799,111 0.799,112 3.148,113 0.977,114 -3.32,115 -3.3,116 -3.17,119 45.9,125 4,135 1,139 1,142 5,143 2,144 1,151 1,152 1,157 1,172 7,174 1,175 4,183 9,186 1,187 3,195 7,198 2,199 4,207 4,211 1,212 6,220 3,224 5,232 3,236 1,237 5,245 2,250 4,258 1,263 2,275 604,276 15.345,277 15.345,278 15.345,279 15.345,280 15.345,281 13.76,282 13.258,283 9.197,284 15.849,285 12.381,286 12.381,287 12.381,288 12.381,289 12.381,290 9.913,291 16.375,292 4.395,293 13.193,294 3.59,295 1.656,296 1.037,297 0.831,298 0.757,299 0.757,300 3.85,303 1,304 1,305 1,306 414,307 1.871,310 42.961,311 172.608,314 77.572,318 1.223,319 19.906,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 186,332 4.589,333 3.648,334 6.822,335 4.192,336 3.242,337 4.278,338 1.138,339 11.296,340 3.081,341 4.094,342 3.178,343 6.164,344 3.748,345 2.802,346 3.543,347 0.86,348 9.12,349 2.682,350 3.831,351 3.031,352 5.958,353 3.513,354 2.55,355 3.161,356 0.643,357 8.288,358 2.41,359 3.433,360 2.463,361 5.089,362 3.002,363 2,364 2.694,366 5.728,367 1.989,368 2.998,369 2.289,370 4.537,371 2.701,372 1.819,373 2.072,375 4.671,376 1.595,377 2.892,378 1.784,379 4.184,380 2.462,381 1.476,382 1.967,384 3.586,385 1.447,386 2.567,387 1.59,388 3.754,389 2.084,390 1.26,391 1.58,393 2.942,394 1.027,395 2.5,396 1.263,397 3.491,398 2,399 1,400 1.5,402 2.512,403 1,404 2.368,405 1.256,406 3.434,407 1.952,408 1,409 1.298,411 2.136,412 0.946,413 2.172,414 1.018,415 3.247,416 1.926,417 1,418 1.037,420 2.136,421 0.913,422 2,423 1,424 3.247,425 1.665,426 0.774,427 1,428 2.054,429 0.667,430 1.236,431 0.415,432 2.699,433 0.698,434 -0.25,435 -0.328,436 -0.642,437 -0.225,438 0.773,439 -0.198,440 2.589,441 0.448,442 -0.522,443 -0.644,445 -1.308,446 -0.506,447 0.515,448 -0.36,449 2.253,450 0.251,451 -0.707,452 -0.822,454 -1.625,455 -0.67,456 0.5,457 -0.513,458 2,460 -1,461 -1,463 -2.347,464 -0.846,465 10.733,466 0.488,467 0.432,468 0.02,469 28,470 1.273,471 13.5,472 0.614,473 14.5,474 0.659,475 16.772,476 0.762,477 22.867,478 0.618,479 18.404,480 0.837,481 5.524,482 0.251,483 5.302,484 0.241,485 0.031,487 0.317,493 0.759,494 1.141,495 0.676,496 0.924,497 0.561,498 0.858,499 1.138,500 0.936,501 0.927,502 0.864,503 0.707,504 0.843,505 1.145,506 0.892,507 0.814,508 0.867,509 0.952,510 0.855,511 0.931,512 0.974,513 0.89,514 0.94,515 0.808,516 0.968,517 1.044,518 0.951,519 0.985,520 0.943,521 0.981,522 0.898,523 1.304,524 1.029,525 1.16,526 1.05,527 1.794,528 1.019,529 1.291,530 1.246,531 1.721,532 1.439,533 2.1,534 1.323,535 0.778,536 1.332,537 1.485,538 1.534,539 0.993,540 1.396,541 3,542 0.016,543 2.444,544 1.222,545 1.037,546 0.768,547 0.476,548 0.191,549 0.039,550 0.023,551 4946,552 13500,553 2.205,554 40.5,556 14,557 1,564 1.649,565 2.129,566 3.093,567 -0.762,568 1,569 1,571 1,573 59.905,574 1.619,575 3.554,576 4.173,577 4.378,578 4.453,579 4.453,580 2.482,581 4.096,582 4.431,583 3.168,584 731.803,585 7.634,586 7764.23,587 1,588 1,589 1,590 1,591 192.75,592 1.143,593 4.418,594 0.12,595 0.004,596 0.07,597 0.035,598 0.032,599 0.026,600 0.018,601 0.009,602 0.003,603 0.003,604 0.32,605 0.5,606 1,607 0.405,608 99.154,609 -0.022,610 -0.133,611 0.077,612 -0.021,613 -0.023,614 0.007,615 -0.103,616 0.113,617 -0.029,618 0.073,619 -0.031,620 0.038,621 -0.043,622 0.115,623 0.104,624 0.058,625 -0.044,626 0.07,627 0.099,628 -0.022,629 0.035,630 0.011,631 0.121,632 -0.013,633 0.024,634 0.012,635 0.05,636 0.066,637 -0.024,638 0.086,639 -0.192,640 -0.048,641 -0.123,642 -0.029,643 -0.169,644 -0.074,645 -0.125,646 -0.212,647 -0.486,648 -0.299,649 -0.169,650 -0.38,651 -0.041,652 -0.336,653 -0.335,654 -0.442,655 -0.087,656 -0.378,657 1.644,658 5.379,659 0.955,660 15.818,661 1.009,662 1.107,663 2.089,664 4.364,665 0.712,666 3.258,667 3.584,668 3.912,669 4.22,670 4.466,671 4.575,672 4.745,673 4.86,674 4.898,675 4.927,676 5.003,677 0.677,678 313.4,679 3.258,680 4.796,681 5.666,682 6.555,683 7.446,684 8.346,685 9.246,686 10.151,687 11.056,688 11.965,689 2.7,692 1,704 6,708 1,709 4,711 11,716 1,729 1,731 37,733 13,734 1,735 25,737 40,738 17,739 10,740 1,741 5,742 3,746 4,747 5,761 13,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 15,782 4,784 5,785 1,790 1,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,848 22,854 4,856 2,859 1,865 1,870 8.1,873 1,874 1,875 1,877 10.333,878 6.7,879 4.806,880 2.25,881 2.457,882 1.339,883 1.022,884 3.722,885 9.715,886 3.512,887 4.073,888 4.674,889 5.257,890 5.717,891 6.059,892 6.466,893 6.826,894 7.09,895 7.323,896 0.833,897 35,898 8.165,900 3.55,901 7.674,902 15.756,904 13.262,905 2.174,906 47.833,910 176.567,911 132.101,912 3.124,914 47.145,916 31.278,917 100.824,918 223.711,919 3.124,921 13.396,922 64.507,923 41.278,924 30.553,925 13.13,926 196.073,928 176.567,929 103.948,930 47.145,931 31.278,933 176.567,934 36.145,935 11,937 16.52,938 77.951,939 9.476,940 31.278,941 176.567,942 50.269,943 132.101,946 176.567,947 67.595,948 67.631,950 47.145,951 176.567,952 50.269,953 132.101,955 0.577,956 0.346,957 0.198,958 0.11,959 19,960 7,961 0.05,962 2,963 1,964 1.095,965 3.47,966 183.323,967 0.095,968 21,969 90.107,970 1,974 13.976,975 5.859,976 2.606,978 50.269,979 12.013,983 1.441,984 3.407,987 358.937,988 32.5,993 12.379,995 1.596,997 0.659,999 37.345,1000 40.953,1001 0.311,1002 0.682,1003 0.801,1004 0.84,1005 0.855,1006 0.855,1007 4.751,1008 1,1009 5.638,1010 2.942,1011 4.263,1012 4.758,1013 1.724,1014 6.472,1015 4.147,1016 5.935,1017 1,1018 7.203,1019 2.512,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.635,1025 7.235,1026 1,1027 8.875,1028 2.136,1029 5.861,1030 6.895,1031 1.676,1032 10.569,1033 5.651,1034 8.575,1035 0.774,1036 10.613,1037 2.136,1038 6.256,1039 7.492,1040 0.424,1041 12.383,1042 6.02,1043 9.954,1044 -0.25,1045 12.394,1046 2.054,1047 7.78,1048 9.361,1049 1.733,1050 15.037,1051 7.478,1052 11.361,1053 -0.522,1054 14.204,1055 -0.642,1056 8.587,1057 10.388,1058 0.581,1059 17.192,1060 8.244,1061 12.788,1062 -0.707,1063 16.035,1064 -1.308,1065 9.88,1066 12.013,1067 1.843,1068 19.682,1069 9.482,1070 3.242,1071 -1,1072 17.88,1073 -1.625,1074 10.878,1075 13.251,1076 0.788,1077 21.98,1078 10.431,1079 2.802,1080 11.296,1081 19.735,1082 -2.347,1083 12.081,1084 14.77,1085 1.986,1086 24.416,1087 11.583,1088 2.55,1089 9.12,1090 21.6,1091 4.278,1092 13.167,1093 16.114,1094 1.027,1095 26.778,1096 12.617,1097 2,1098 8.288,1099 23.471,1100 3.543,1101 14.338,1102 17.589,1103 2.153,1104 29.198,1105 13.737,1106 1.819,1107 5.728,1108 25.347,1109 3.161,1110 15.464,1111 18.985,1112 1.284,1113 31.59,1114 14.812,1115 1.476,1116 4.671,1117 27.229,1118 2.694,1119 16.627,1120 20.443,1121 2.337,1122 34.007,1123 15.923,1124 1.26,1125 3.586,1126 29.114,1127 2.072,1128 17.773,1129 21.865,1130 1.553,1131 36.414,1132 17.018,1133 4635,1134 7779,1135 17.394,1136 26.347,1137 38.287,1138 39.112,1139 38.254,1140 37.812,1141 37.848,1142 48.262,1143 5.281,1144 108.935,1145 35.515,1146 5.589,1147 5.648,1148 6.624,1149 5.33,1150 5.242,1151 7.278,1152 2.22,1153 18.658,1154 5.081,1155 5.49,1156 1.531,1157 1.564,1158 1.53,1159 1.512,1160 1.514,1161 1.93,1162 0.211,1163 4.357,1164 1.421,1165 4.039,1166 4.043,1167 4.275,1168 4.026,1169 7.428,1170 3.988,1171 3.83,1172 3.869,1173 3.776,1174 3.742,1175 4.887,1176 3.728,1177 3.711,1178 3.736,1179 3.705,1180 3.562,1181 4.699,1182 3.558,1183 3.342,1184 3.358,1185 3.369,1186 3.233,1187 4.589,1188 3.228,1189 3.111,1190 3.206,1191 2.958,1192 2.941,1193 4.22,1194 2.91,1195 2.933,1196 2.949,1197 2.866,1198 2.778,1199 3.68,1200 2.752,1201 2.854,1202 2.925,1203 2.748,1204 2.735,1205 3.674,1206 2.715,1207 2.73,1208 2.781,1209 2.687,1210 2.517,1211 3.552,1212 2.549,1213 0.184,1214 0.146,1215 0.273,1216 0.168,1217 0.13,1218 4.589,1219 0.171,1220 3.648,1221 0.046,1222 6.822,1223 0.452,1224 4.192,1225 0.123,1226 3.242,1227 4.278,1228 1.138,1229 11.296,1230 3.081,1231 1.919,1232 1.898,1233 2.027,1234 2.011,1235 1.207,1236 2.009,1237 1.771,1238 1.745,1239 1.933,1240 1.964,1241 1.118,1242 1.965,1243 1.574,1244 1.551,1245 1.669,1246 1.747,1247 0.825,1248 1.73,1249 1.344,1250 1.337,1251 1.513,1252 1.393,1253 0.803,1254 1.435,1255 1.153,1256 1.064,1257 1.399,1258 1.376,1259 0.598,1260 1.429,1261 1.009,1262 1,1263 1.181,1264 1.153,1265 0.35,1266 1.157,1267 0.886,1268 0.821,1269 1.079,1270 1.062,1271 0.218,1272 1.107,1273 0.684,1274 0.627,1275 0.964,1276 0.912,1277 0.158,1278 0.971,1279 3.932,1281 5.252,1282 2.398,1283 6.786,1284 4.727,1285 8.412,1286 6.862,1287 10.089,1295 2.826,1297 11.446,1300 2.066,1305 25.041,1306 59.905,1307 131.489,1308 154.385,1309 161.995,1310 164.75,1311 164.75,1312 29.708,1313 7.258,1314 42.68,1315 70.92,1316 23,1317 12.482,1318 3.807,1319 3.087,1320 29.74,1321 65,1322 64,1323 0.228,1324 153.689,1325 268.82,1326 366.761,1327 12769,1329 14.941,1330 0.679,1331 0.58,1332 15.295,1333 12.767,1334 10.826,1335 0.433,1336 0.326,1337 7.23,1338 9.958,1339 7.032,1340 5.739,1341 11.281,1342 8.142,1343 9.574,1344 0.274,1345 0.174,1346 10.098,1347 6.102,1348 8.485,1349 0.173,1350 0.098,1351 9.255,1352 4.814,1353 7.423,1354 0.111,1355 0.054,1356 8.273,1357 3.599,1358 6.052,1359 0.07,1360 0.028,1361 6.774,1362 2.424,1363 0.344,1364 72.469,1365 0.24,1366 21.292,1367 0.665,1368 120,1369 365.712,1370 153.997,1371 363.946,1372 500.23,1373 344,1374 144,1375 351.762,1376 179.399,1377 366.323,1378 545.38,1379 346,1380 6.527}
{0 CHEMBL2322240,1 1.724,2 8.455,3 2.145,4 4.601,5 85.342,6 8.733,7 0.44,8 3.732,9 3.812,10 3.497,11 3.333,12 4.846,13 3.311,14 4.276,15 4.406,16 3.86,17 3.722,18 5.365,19 3.687,20 4.465,21 4.626,22 3.94,23 3.789,24 5.532,25 3.744,26 4.429,27 4.592,28 3.825,29 3.758,30 5.553,31 3.683,32 4.404,33 4.586,34 3.758,35 3.673,36 5.459,37 3.594,38 4.243,39 4.391,40 3.667,41 3.609,42 5.403,43 3.533,44 4.183,45 4.321,46 3.483,47 3.505,48 5.442,49 3.388,50 3.992,51 4.186,52 3.113,53 3.255,54 4.953,55 3.108,56 0.057,57 0.511,58 5.909,59 3.46,60 5.341,61 3.68,62 0.3,63 0.874,64 14.164,65 5.943,66 17.6,67 6.031,68 0.418,69 1.01,70 19.278,71 7.405,72 25.728,73 7.81,74 0.417,75 0.952,76 18.339,77 7.68,78 33.141,79 8.512,80 0.486,81 0.945,82 21.165,83 7.468,84 33.733,85 8.361,86 0.264,87 0.798,88 14.928,89 6.404,90 30.4,91 6.678,92 0.426,93 0.78,94 17.776,95 6.52,96 47.526,97 6.25,98 0.167,99 0.649,100 15.547,101 5.637,102 15.941,103 6.266,104 2,105 35,106 0.311,107 0.685,108 0.813,109 0.833,110 0.833,111 0.833,112 3.148,113 0.959,114 -2.29,115 -2.33,116 -2.29,119 44.4,125 4,135 1,139 1,142 2,143 2,144 1,145 2,151 1,152 1,157 1,172 3,174 1,175 6,183 3,186 1,187 5,195 3,198 2,199 3,207 2,211 2,212 6,220 2,224 2,232 1,236 3,237 4,245 1,250 2,263 1,275 604,276 15.345,277 15.345,278 15.345,279 15.345,280 15.345,281 13.76,282 13.258,283 9.197,284 15.914,285 12.381,286 12.381,287 12.381,288 12.381,289 12.381,290 9.913,291 16.375,292 4.395,293 13.287,294 3.446,295 1.375,296 0.667,297 0.556,298 0.556,299 0.556,300 3.85,303 1,304 1,305 1,306 414,307 1.871,310 42.961,311 172.608,314 77.572,318 1.223,319 21.929,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48,331 186,332 4.589,333 3.648,334 6.822,335 4.191,336 3.242,337 4.278,338 1.138,339 11.296,340 3.079,341 4.094,342 3.178,343 6.164,344 3.747,345 2.802,346 3.543,347 0.86,348 9.12,349 2.676,350 3.831,351 3.031,352 5.958,353 3.511,354 2.55,355 3.161,356 0.643,357 8.288,358 2.406,359 3.433,360 2.463,361 5.089,362 2.989,363 2,364 2.694,366 5.728,367 1.961,368 2.998,369 2.289,370 4.537,371 2.701,372 1.819,373 2.072,375 4.671,376 1.595,377 2.892,378 1.784,379 4.184,380 2.437,381 1.476,382 1.967,384 3.586,385 1.409,386 2.567,387 1.59,388 3.754,389 2.083,390 1.26,391 1.58,393 2.942,394 1.027,395 2.5,396 1.263,397 3.491,398 1.958,399 1,400 1.5,402 2.512,403 0.955,404 2.368,405 1.256,406 3.434,407 1.952,408 1,409 1.298,411 2.136,412 0.946,413 2.172,414 1.018,415 3.247,416 1.918,417 1,418 1.037,420 2.136,421 0.906,422 2,423 1,424 3.247,425 1.663,426 0.774,427 1,428 2.054,429 0.666,430 1.236,431 0.415,432 2.699,433 0.696,434 -0.25,435 -0.328,436 -0.642,437 -0.224,438 0.773,439 -0.198,440 2.589,441 0.44,442 -0.522,443 -0.644,445 -1.308,446 -0.504,447 0.515,448 -0.36,449 2.253,450 0.232,451 -0.707,452 -0.822,454 -1.625,455 -0.658,456 0.5,457 -0.513,458 2,459 -0.025,460 -1,461 -1,463 -2.347,464 -0.846,465 10.633,466 0.483,467 0.432,468 0.02,469 28.5,470 1.295,471 13.5,472 0.614,473 15,474 0.682,475 16.501,476 0.75,477 22.967,478 0.638,479 18.675,480 0.849,481 5.605,482 0.255,483 5.221,484 0.237,485 0.031,487 0.32,493 0.778,494 1.233,495 0.66,496 0.953,497 0.556,498 0.865,499 1.177,500 0.92,501 0.929,502 0.831,503 0.731,504 0.802,505 1.167,506 0.909,507 0.827,508 0.882,509 0.968,510 0.864,511 0.949,512 0.981,513 0.895,514 0.948,515 0.817,516 0.973,517 1.004,518 0.964,519 0.982,520 0.963,521 0.98,522 0.899,523 1.216,524 1.061,525 1.027,526 1.019,527 1.782,528 1.026,529 1.185,530 1.143,531 1.726,532 1.438,533 2.007,534 1.334,535 0.685,536 1.395,537 1.475,538 1.608,539 0.763,540 1.434,541 3,542 0.016,543 2.444,544 1.222,545 1.037,546 0.768,547 0.476,548 0.191,549 0.039,550 0.023,551 4946,552 14346,553 2.205,554 38.9,556 11,557 1,558 2,564 1.649,565 2.129,566 3.093,567 -0.717,568 1,569 1,571 1,573 62.059,574 1.724,575 3.795,576 4.503,577 4.614,578 4.614,579 4.614,580 2.482,581 4.096,582 4.431,583 3.168,584 731.803,585 7.634,586 7764.23,587 1,588 1,590 1,591 186.117,592 1.143,593 4.418,594 0.12,595 0.004,596 0.07,597 0.035,598 0.032,599 0.026,600 0.018,601 0.009,602 0.003,603 0.003,604 0.32,605 0.5,606 1,607 0.405,608 99.154,609 -0.04,610 -0.198,611 0.075,612 -0.047,613 -0.011,614 -0.01,615 -0.152,616 0.141,617 -0.035,618 0.108,619 -0.045,620 0.072,621 -0.08,622 0.083,623 0.088,624 0.048,625 -0.059,626 0.061,627 0.07,628 -0.039,629 0.031,630 0.011,631 0.109,632 -0.011,633 0.067,634 -0.009,635 0.065,636 0.051,637 -0.015,638 0.092,639 -0.176,640 -0.104,641 -0.07,642 -0.031,643 -0.174,644 -0.08,645 -0.037,646 -0.108,647 -0.486,648 -0.282,649 -0.108,650 -0.387,652 -0.411,653 -0.304,654 -0.494,655 -0.035,656 -0.392,657 1.664,658 5.364,659 0.955,660 15.818,661 1.016,662 1.112,663 1.058,664 1.119,665 0.711,666 3.258,667 3.584,668 3.912,669 4.22,670 4.466,671 4.575,672 4.745,673 4.86,674 4.898,675 4.927,676 5.003,677 0.682,678 314.39,679 3.258,680 4.796,681 5.666,682 6.555,683 7.446,684 8.346,685 9.246,686 10.151,687 11.056,688 11.965,689 5.6,692 1,699 1,704 5,705 1,708 1,709 4,711 11,716 1,729 1,731 36,733 13,735 25,737 39,738 16,739 9,742 3,746 4,747 5,761 12,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 14,782 5,784 6,785 1,790 2,794 0.75,795 3,805 1,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,848 22,854 4,856 2,859 1,865 1,870 8.3,873 1,874 1,875 1,877 10.333,878 6.567,879 4.806,880 2.161,881 2.457,882 1.339,883 1.018,884 3.681,885 9.715,886 3.512,887 4.073,888 4.674,889 5.257,890 5.717,891 6.059,892 6.466,893 6.826,894 7.09,895 7.323,896 0.833,897 35,898 8.152,900 3.544,901 7.72,902 15.626,904 13.079,905 2.22,906 48.833,910 164.795,911 121.768,912 19.91,914 47.145,916 31.278,917 90.49,918 211.94,919 19.91,921 13.396,922 36.078,923 81.606,924 48.648,925 13.13,926 160.76,928 164.795,929 110.4,930 47.145,931 31.278,933 164.795,934 36.145,935 11,937 34.615,938 49.523,939 26.262,940 31.278,941 164.795,942 67.055,943 121.768,946 164.795,947 67.595,948 57.297,950 63.93,951 164.795,952 67.055,953 121.768,955 0.577,956 0.346,957 0.198,958 0.11,959 19,960 7,961 0.051,962 2,963 1,964 1.095,965 3.47,966 183.323,967 0.095,968 21,969 94.107,970 1,974 13.915,975 5.82,976 2.585,978 67.055,979 9.31,980 4.14,983 1.414,984 3.166,987 353.618,988 32.5,993 12.364,995 1.581,997 0.618,999 36.564,1000 40.036,1001 0.333,1002 0.734,1003 0.871,1004 0.893,1005 0.893,1006 0.893,1007 4.751,1008 1,1009 5.638,1010 2.942,1011 4.263,1012 4.758,1013 1.724,1014 6.472,1015 4.135,1016 5.935,1017 1,1018 7.203,1019 2.512,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.635,1025 7.235,1026 1,1027 8.875,1028 2.136,1029 5.861,1030 6.895,1031 1.676,1032 10.569,1033 5.634,1034 8.575,1035 0.774,1036 10.613,1037 2.136,1038 6.256,1039 7.492,1040 0.424,1041 12.383,1042 6.017,1043 9.954,1044 -0.25,1045 12.394,1046 2.054,1047 7.78,1048 9.361,1049 1.733,1050 15.037,1051 7.461,1052 11.361,1053 -0.522,1054 14.204,1055 -0.642,1056 8.587,1057 10.388,1058 0.581,1059 17.192,1060 8.239,1061 12.788,1062 -0.707,1063 16.035,1064 -1.308,1065 9.88,1066 12.013,1067 1.843,1068 19.682,1069 9.466,1070 3.242,1071 -1,1072 17.88,1073 -1.625,1074 10.878,1075 13.251,1076 0.788,1077 21.98,1078 10.423,1079 2.802,1080 11.296,1081 19.735,1082 -2.347,1083 12.081,1084 14.77,1085 1.986,1086 24.416,1087 11.568,1088 2.55,1089 9.12,1090 21.6,1091 4.278,1092 13.167,1093 16.114,1094 1.027,1095 26.778,1096 12.606,1097 2,1098 8.288,1099 23.471,1100 3.543,1101 14.338,1102 17.589,1103 2.153,1104 29.198,1105 13.723,1106 1.819,1107 5.728,1108 25.347,1109 3.161,1110 15.464,1111 18.985,1112 1.284,1113 31.59,1114 14.799,1115 1.476,1116 4.671,1117 27.229,1118 2.694,1119 16.627,1120 20.443,1121 2.337,1122 34.007,1123 15.908,1124 1.26,1125 3.586,1126 29.114,1127 2.072,1128 17.773,1129 21.865,1130 1.553,1131 36.414,1132 17.003,1133 4635,1134 8015,1135 17.394,1136 25.591,1137 38.287,1138 39.112,1139 38.254,1140 37.796,1141 37.848,1142 48.262,1143 5.281,1144 108.935,1145 35.25,1146 5.589,1147 5.648,1148 6.624,1149 5.329,1150 5.242,1151 7.278,1152 2.22,1153 18.658,1154 5.034,1155 5.49,1156 1.531,1157 1.564,1158 1.53,1159 1.512,1160 1.514,1161 1.93,1162 0.211,1163 4.357,1164 1.41,1165 4.032,1166 4.037,1167 4.275,1168 4.013,1169 7.428,1170 3.973,1171 3.815,1172 3.86,1173 3.755,1174 3.678,1175 4.947,1176 3.682,1177 3.699,1178 3.727,1179 3.703,1180 3.555,1181 4.778,1182 3.548,1183 3.336,1184 3.354,1185 3.369,1186 3.227,1187 4.597,1188 3.22,1189 3.111,1190 3.206,1191 2.951,1192 2.941,1193 4.235,1194 2.91,1195 2.931,1196 2.948,1197 2.866,1198 2.771,1199 3.808,1200 2.748,1201 2.783,1202 2.857,1203 2.745,1204 2.558,1205 3.68,1206 2.588,1207 2.689,1208 2.755,1209 2.62,1210 2.479,1211 3.562,1212 2.49,1213 0.184,1214 0.146,1215 0.273,1216 0.168,1217 0.13,1218 4.589,1219 0.171,1220 3.648,1221 0.046,1222 6.822,1223 0.452,1224 4.191,1225 0.123,1226 3.242,1227 4.278,1228 1.138,1229 11.296,1230 3.079,1231 1.869,1232 1.845,1233 1.964,1234 2.006,1235 1.207,1236 1.991,1237 1.764,1238 1.734,1239 1.927,1240 1.953,1241 1.036,1242 1.951,1243 1.571,1244 1.549,1245 1.663,1246 1.745,1247 0.825,1248 1.727,1249 1.32,1250 1.308,1251 1.513,1252 1.383,1253 0.79,1254 1.429,1255 1.153,1256 1.064,1257 1.382,1258 1.376,1259 0.555,1260 1.422,1261 1.008,1262 0.997,1263 1.079,1264 1.153,1265 0.348,1266 1.156,1267 0.761,1268 0.691,1269 1.042,1270 0.989,1271 0.16,1272 1.016,1273 0.654,1274 0.6,1275 0.93,1276 0.906,1277 0.07,1278 0.957,1279 3.932,1281 5.252,1282 2.398,1283 6.786,1284 4.727,1285 8.412,1286 6.862,1287 10.089,1295 2.781,1297 11.41,1300 2.051,1305 24.535,1306 62.059,1307 136.608,1308 162.117,1309 166.117,1310 166.117,1311 166.117,1312 29.975,1313 7.258,1314 55.57,1315 83.81,1316 23,1317 12.482,1318 3.807,1319 3.087,1320 29.74,1321 65,1322 64,1323 0.228,1324 150.891,1325 262.52,1326 359.934,1327 12769,1329 14.941,1330 0.679,1331 0.574,1332 15.295,1333 12.636,1334 10.826,1335 0.433,1336 0.32,1337 7.062,1338 9.883,1339 6.878,1340 5.605,1341 11.281,1342 7.992,1343 9.574,1344 0.274,1345 0.171,1346 10.098,1347 5.977,1348 8.485,1349 0.173,1350 0.096,1351 9.255,1352 4.702,1353 7.423,1354 0.111,1355 0.052,1356 8.273,1357 3.504,1358 6.052,1359 0.07,1360 0.027,1361 6.774,1362 2.335,1363 0.344,1364 72.969,1365 0.24,1366 21.292,1367 0.665,1368 120,1369 385.357,1370 155.385,1371 381.186,1372 521.63,1373 360,1374 144,1375 365.875,1376 180.898,1377 379.964,1378 563.94,1379 358,1380 6.532}
{0 CHEMBL2322241,1 1.724,2 8.455,3 2.145,4 4.601,5 85.342,6 8.733,7 0.44,8 3.732,9 3.812,10 3.497,11 3.333,12 4.846,13 3.311,14 4.276,15 4.406,16 3.86,17 3.722,18 5.367,19 3.687,20 4.465,21 4.627,22 3.937,23 3.794,24 5.526,25 3.748,26 4.426,27 4.583,28 3.822,29 3.775,30 5.546,31 3.696,32 4.422,33 4.606,34 3.748,35 3.7,36 5.454,37 3.611,38 4.28,39 4.434,40 3.687,41 3.609,42 5.442,43 3.534,44 4.145,45 4.277,46 3.468,47 3.489,48 5.388,49 3.381,50 4.02,51 4.215,52 3.129,53 3.26,54 5.051,55 3.111,56 0.057,57 0.511,58 5.909,59 3.46,60 5.341,61 3.68,62 0.3,63 0.874,64 14.164,65 5.943,66 17.776,67 6.031,68 0.426,69 1.009,70 19.34,71 7.397,72 26.087,73 7.785,74 0.401,75 0.94,76 17.948,77 7.792,78 31.775,79 8.649,80 0.437,81 0.947,82 21.268,83 7.923,84 32.145,85 8.824,86 0.351,87 0.842,88 17.29,89 6.56,90 34.649,91 6.79,92 0.337,93 0.744,94 15.77,95 6.123,96 40.049,97 5.932,98 0.247,99 0.669,100 16.065,101 5.711,102 24.648,103 6.331,104 2,105 35,106 0.311,107 0.685,108 0.793,109 0.793,110 0.793,111 0.793,112 3.148,113 0.959,114 -2.29,115 -2.33,116 -2.29,119 44.4,125 4,135 1,139 1,142 2,143 2,144 1,145 2,151 1,152 1,157 1,172 3,174 1,175 6,183 4,186 1,187 4,195 2,198 2,199 5,207 3,211 1,212 4,220 1,223 1,224 5,232 2,236 1,237 1,249 2,250 3,263 2,275 604,276 15.345,277 15.345,278 15.345,279 15.345,280 15.345,281 13.76,282 13.258,283 9.197,284 15.922,285 12.381,286 12.381,287 12.381,288 12.381,289 12.381,290 9.913,291 16.375,292 4.395,293 13.293,294 3.446,295 1.375,296 0.778,297 0.778,298 0.778,299 0.778,300 3.85,303 1,304 1,305 1,306 414,307 1.871,310 42.961,311 172.608,314 77.572,318 1.223,319 21.745,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48,331 186,332 4.589,333 3.648,334 6.822,335 4.192,336 3.242,337 4.278,338 1.138,339 11.296,340 3.08,341 4.094,342 3.178,343 6.164,344 3.747,345 2.802,346 3.543,347 0.86,348 9.12,349 2.679,350 3.831,351 3.031,352 5.958,353 3.512,354 2.55,355 3.161,356 0.643,357 8.288,358 2.408,359 3.433,360 2.463,361 5.089,362 2.989,363 2,364 2.694,366 5.728,367 1.962,368 2.998,369 2.289,370 4.537,371 2.701,372 1.819,373 2.072,375 4.671,376 1.595,377 2.892,378 1.784,379 4.184,380 2.419,381 1.476,382 1.967,384 3.586,385 1.381,386 2.567,387 1.59,388 3.754,389 2.083,390 1.26,391 1.58,393 2.942,394 1.027,395 2.5,396 1.263,397 3.491,398 1.984,399 1,400 1.5,402 2.512,403 0.983,404 2.368,405 1.256,406 3.434,407 1.952,408 1,409 1.298,411 2.136,412 0.946,413 2.172,414 1.018,415 3.247,416 1.912,417 1,418 1.037,420 2.136,421 0.899,422 2,423 1,424 3.247,425 1.661,426 0.774,427 1,428 2.054,429 0.665,430 1.236,431 0.415,432 2.699,433 0.696,434 -0.25,435 -0.328,436 -0.642,437 -0.224,438 0.773,439 -0.198,440 2.589,441 0.443,442 -0.522,443 -0.644,445 -1.308,446 -0.505,447 0.515,448 -0.36,449 2.253,450 0.241,451 -0.707,452 -0.822,454 -1.625,455 -0.664,456 0.5,457 -0.513,458 2,459 -0.049,460 -1,461 -1,463 -2.347,464 -0.846,465 10.633,466 0.483,467 0.432,468 0.02,469 28.5,470 1.295,471 13.5,472 0.614,473 15,474 0.682,475 16.516,476 0.751,477 22.967,478 0.638,479 18.66,480 0.848,481 5.606,482 0.255,483 5.221,484 0.237,485 0.031,487 0.32,493 0.778,494 1.233,495 0.66,496 0.953,497 0.556,498 0.865,499 1.177,500 0.92,501 0.929,502 0.831,503 0.727,504 0.802,505 1.176,506 0.853,507 0.832,508 0.857,509 0.975,510 0.847,511 0.914,512 0.979,513 0.904,514 0.979,515 0.802,516 1.012,517 1.012,518 0.973,519 0.978,520 0.966,521 0.954,522 0.918,523 1.244,524 1.036,525 1.147,526 1.062,527 1.768,528 1.009,529 1.202,530 1.29,531 1.609,532 1.436,533 2.101,534 1.357,535 0.687,536 1.223,537 1.485,538 1.534,539 0.919,540 1.408,541 3,542 0.016,543 2.444,544 1.222,545 1.037,546 0.768,547 0.476,548 0.191,549 0.039,550 0.023,551 4946,552 14474,553 2.205,554 38.9,556 11,557 1,558 2,564 1.649,565 2.129,566 3.093,567 -0.717,568 1,569 1,571 1,573 62.059,574 1.724,575 3.795,576 4.392,577 4.392,578 4.392,579 4.392,580 2.482,581 4.096,582 4.431,583 3.168,584 731.803,585 7.634,586 7764.23,587 1,588 1,590 1,591 186.117,592 1.143,593 4.418,594 0.12,595 0.004,596 0.07,597 0.035,598 0.032,599 0.026,600 0.018,601 0.009,602 0.003,603 0.003,604 0.32,605 0.5,606 1,607 0.405,608 99.154,609 -0.04,610 -0.198,611 0.075,612 -0.047,613 -0.011,614 -0.01,615 -0.152,616 0.141,617 -0.035,618 0.108,619 -0.041,620 0.072,621 -0.09,622 0.141,623 0.082,624 0.074,625 -0.067,626 0.079,627 0.08,628 -0.054,629 0.012,630 -0.014,631 0.107,632 -0.045,633 0.018,634 -0.042,635 0.062,636 0.054,637 -0.02,638 0.089,639 -0.136,640 -0.05,641 -0.102,642 -0.036,643 -0.162,644 -0.061,645 -0.114,646 -0.276,647 -0.456,648 -0.325,649 -0.182,650 -0.419,651 0.083,652 -0.226,653 -0.313,654 -0.431,655 0.005,656 -0.379,657 1.659,658 5.367,659 0.955,660 15.818,661 1.016,662 1.112,663 1.058,664 1.119,665 0.711,666 3.258,667 3.584,668 3.912,669 4.22,670 4.466,671 4.575,672 4.745,673 4.86,674 4.898,675 4.927,676 5.003,677 0.682,678 314.39,679 3.258,680 4.796,681 5.666,682 6.555,683 7.446,684 8.346,685 9.246,686 10.151,687 11.056,688 11.965,689 5.6,692 1,699 1,704 5,705 1,708 1,709 4,711 11,716 1,729 1,731 36,733 13,735 25,737 39,738 16,739 9,742 3,746 4,747 5,761 12,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 14,782 5,784 6,785 1,790 2,794 0.75,795 3,805 1,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,848 22,854 4,856 2,859 1,865 1,870 8.3,873 1,874 1,875 1,877 10.333,878 6.567,879 4.806,880 2.161,881 2.457,882 1.339,883 1.018,884 3.681,885 9.715,886 3.512,887 4.073,888 4.674,889 5.257,890 5.717,891 6.059,892 6.466,893 6.826,894 7.09,895 7.323,896 0.833,897 35,898 8.151,900 3.542,901 7.72,902 15.626,904 13.079,905 2.22,906 48.833,910 164.795,911 121.768,912 19.91,914 47.145,916 31.278,917 90.49,918 211.94,919 19.91,921 13.396,922 36.078,923 81.606,924 48.648,925 13.13,926 160.76,928 164.795,929 110.4,930 47.145,931 31.278,933 164.795,934 36.145,935 11,937 34.615,938 49.523,939 26.262,940 31.278,941 164.795,942 67.055,943 121.768,946 164.795,947 67.595,948 57.297,950 63.93,951 164.795,952 67.055,953 121.768,955 0.577,956 0.346,957 0.198,958 0.11,959 19,960 7,961 0.051,962 2,963 1,964 1.095,965 3.47,966 183.323,967 0.095,968 21,969 90.107,970 1,974 13.915,975 5.82,976 2.585,978 67.055,979 9.283,980 4.033,983 1.421,984 3.257,987 353.618,988 32.5,993 12.367,995 1.584,997 0.627,999 36.564,1000 40.036,1001 0.333,1002 0.734,1003 0.85,1004 0.85,1005 0.85,1006 0.85,1007 4.751,1008 1,1009 5.638,1010 2.942,1011 4.263,1012 4.758,1013 1.724,1014 6.472,1015 4.135,1016 5.935,1017 1,1018 7.203,1019 2.512,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.635,1025 7.235,1026 1,1027 8.875,1028 2.136,1029 5.861,1030 6.895,1031 1.676,1032 10.569,1033 5.635,1034 8.575,1035 0.774,1036 10.613,1037 2.136,1038 6.256,1039 7.492,1040 0.424,1041 12.383,1042 6.02,1043 9.954,1044 -0.25,1045 12.394,1046 2.054,1047 7.78,1048 9.361,1049 1.733,1050 15.037,1051 7.464,1052 11.361,1053 -0.522,1054 14.204,1055 -0.642,1056 8.587,1057 10.388,1058 0.581,1059 17.192,1060 8.243,1061 12.788,1062 -0.707,1063 16.035,1064 -1.308,1065 9.88,1066 12.013,1067 1.843,1068 19.682,1069 9.471,1070 3.242,1071 -1,1072 17.88,1073 -1.625,1074 10.878,1075 13.251,1076 0.788,1077 21.98,1078 10.428,1079 2.802,1080 11.296,1081 19.735,1082 -2.347,1083 12.081,1084 14.77,1085 1.986,1086 24.416,1087 11.574,1088 2.55,1089 9.12,1090 21.6,1091 4.278,1092 13.167,1093 16.114,1094 1.027,1095 26.778,1096 12.612,1097 2,1098 8.288,1099 23.471,1100 3.543,1101 14.338,1102 17.589,1103 2.153,1104 29.198,1105 13.73,1106 1.819,1107 5.728,1108 25.347,1109 3.161,1110 15.464,1111 18.985,1112 1.284,1113 31.59,1114 14.806,1115 1.476,1116 4.671,1117 27.229,1118 2.694,1119 16.627,1120 20.443,1121 2.337,1122 34.007,1123 15.916,1124 1.26,1125 3.586,1126 29.114,1127 2.072,1128 17.773,1129 21.865,1130 1.553,1131 36.414,1132 17.012,1133 4635,1134 8047,1135 17.394,1136 25.591,1137 38.287,1138 39.112,1139 38.254,1140 37.799,1141 37.848,1142 48.262,1143 5.281,1144 108.935,1145 35.246,1146 5.589,1147 5.648,1148 6.624,1149 5.33,1150 5.242,1151 7.278,1152 2.22,1153 18.658,1154 5.033,1155 5.49,1156 1.531,1157 1.564,1158 1.53,1159 1.512,1160 1.514,1161 1.93,1162 0.211,1163 4.357,1164 1.41,1165 4.033,1166 4.037,1167 4.275,1168 4.015,1169 7.428,1170 3.975,1171 3.814,1172 3.86,1173 3.755,1174 3.675,1175 4.945,1176 3.681,1177 3.697,1178 3.725,1179 3.703,1180 3.553,1181 4.784,1182 3.545,1183 3.332,1184 3.35,1185 3.368,1186 3.222,1187 4.598,1188 3.213,1189 3.111,1190 3.206,1191 2.938,1192 2.941,1193 4.243,1194 2.91,1195 2.923,1196 2.938,1197 2.866,1198 2.735,1199 3.698,1200 2.715,1201 2.854,1202 2.925,1203 2.727,1204 2.669,1205 3.674,1206 2.692,1207 2.639,1208 2.7,1209 2.687,1210 2.449,1211 3.656,1212 2.444,1213 0.184,1214 0.146,1215 0.273,1216 0.168,1217 0.13,1218 4.589,1219 0.171,1220 3.648,1221 0.046,1222 6.822,1223 0.452,1224 4.192,1225 0.123,1226 3.242,1227 4.278,1228 1.138,1229 11.296,1230 3.08,1231 1.872,1232 1.848,1233 1.965,1234 2.006,1235 1.207,1236 1.992,1237 1.764,1238 1.734,1239 1.927,1240 1.953,1241 1.045,1242 1.951,1243 1.57,1244 1.548,1245 1.66,1246 1.744,1247 0.825,1248 1.726,1249 1.296,1250 1.284,1251 1.513,1252 1.376,1253 0.787,1254 1.429,1255 1.153,1256 1.064,1257 1.345,1258 1.371,1259 0.512,1260 1.406,1261 1,1262 0.988,1263 1.181,1264 1.152,1265 0.342,1266 1.152,1267 0.886,1268 0.821,1269 1.079,1270 1.062,1271 0.218,1272 1.107,1273 0.649,1274 0.6,1275 0.907,1276 0.901,1277 0.149,1278 0.953,1279 3.932,1281 5.252,1282 2.398,1283 6.786,1284 4.727,1285 8.412,1286 6.862,1287 10.089,1295 2.789,1297 11.419,1300 2.054,1305 24.535,1306 62.059,1307 136.608,1308 158.117,1309 158.117,1310 158.117,1311 158.117,1312 29.772,1313 7.258,1314 55.57,1315 83.81,1316 23,1317 12.482,1318 3.807,1319 3.087,1320 29.74,1321 65,1322 64,1323 0.228,1324 150.891,1325 262.52,1326 359.934,1327 12769,1329 14.941,1330 0.679,1331 0.574,1332 15.295,1333 12.636,1334 10.826,1335 0.433,1336 0.32,1337 7.062,1338 9.88,1339 6.878,1340 5.603,1341 11.281,1342 7.992,1343 9.574,1344 0.274,1345 0.171,1346 10.098,1347 5.971,1348 8.485,1349 0.173,1350 0.096,1351 9.255,1352 4.72,1353 7.423,1354 0.111,1355 0.052,1356 8.273,1357 3.513,1358 6.052,1359 0.07,1360 0.027,1361 6.774,1362 2.345,1363 0.344,1364 72.969,1365 0.24,1366 21.292,1367 0.665,1368 120,1369 385.357,1370 155.385,1371 381.055,1372 521.59,1373 360,1374 144,1375 365.875,1376 180.732,1377 379.669,1378 563.5,1379 358,1380 6.166}
{0 CHEMBL2322242,1 1.714,2 7.81,3 2.691,4 7.241,5 79.89,6 8.922,7 0.417,8 3.693,9 3.758,10 3.474,11 3.27,12 4.809,13 3.261,14 4.245,15 4.358,16 3.849,17 3.657,18 5.35,19 3.639,20 4.406,21 4.559,22 3.883,23 3.675,24 5.477,25 3.645,26 4.348,27 4.485,28 3.823,29 3.655,30 5.523,31 3.61,32 4.327,33 4.497,34 3.697,35 3.597,36 5.383,37 3.525,38 4.196,39 4.344,40 3.555,41 3.492,42 5.394,43 3.422,44 4.068,45 4.188,46 3.405,47 3.381,48 5.316,49 3.281,50 3.927,51 4.106,52 2.964,53 3.088,54 4.866,55 2.95,56 0.092,57 0.463,58 5.373,59 3.414,60 5.596,61 3.394,62 0.364,63 0.803,64 13.475,65 5.9,66 18.045,67 5.595,68 0.515,69 0.915,70 18.549,71 7,72 28.072,73 6.915,74 0.569,75 0.839,76 17.147,77 7.026,78 34.72,79 7.265,80 0.458,81 0.839,82 17.92,83 7.024,84 30.253,85 7.697,86 0.468,87 0.727,88 15.596,89 6.19,90 41.163,91 6.285,92 0.37,93 0.662,94 14.746,95 5.837,96 37.973,97 5.38,98 0.307,99 0.565,100 15.663,101 5.269,102 22.246,103 5.188,104 2,105 34,106 0.314,107 0.708,108 0.813,109 0.824,110 0.824,111 0.824,112 3.105,113 0.953,114 -2.39,115 -2.42,116 -2.37,119 44.1,125 4,135 1,139 1,142 2,143 1,144 1,151 2,152 2,157 1,172 1,174 1,175 7,183 2,186 1,187 2,195 2,198 3,199 4,207 2,211 1,212 3,220 1,223 2,224 3,232 1,236 1,237 3,245 1,250 1,262 1,263 1,275 512,276 14.637,277 14.637,278 14.637,279 14.637,280 14.637,281 13.182,282 13.258,283 8.697,284 15.142,285 11.881,286 11.881,287 11.881,288 11.881,289 11.881,290 9.58,291 16.375,292 4.145,293 12.693,294 3.374,295 1.224,296 0.647,297 0.588,298 0.588,299 0.588,300 3.804,303 1,304 1,305 1,306 368,307 1.871,310 88.704,311 106.031,314 73.544,318 1.17,319 23.15,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 46.5,331 164,332 4.591,333 3.648,334 6.823,335 4.193,336 3.244,337 4.282,338 1.138,339 11.297,340 3.084,341 4.101,342 3.179,343 6.164,344 3.753,345 2.806,346 3.561,347 0.86,348 9.122,349 2.689,350 3.838,351 3.034,352 5.96,353 3.519,354 2.558,355 3.166,356 0.643,357 8.293,358 2.412,359 3.428,360 2.472,361 5.095,362 3.002,363 2,364 2.674,366 5.751,367 1.988,368 2.99,369 2.295,370 4.537,371 2.701,372 1.819,373 2.016,375 4.671,376 1.595,377 2.754,378 1.78,379 4.192,380 2.326,381 1.354,382 1.81,384 3.523,385 1.306,386 2.549,387 1.498,388 3.754,389 2.079,390 1.248,391 1.546,393 2.932,394 1.025,395 2.251,396 1.26,397 3.448,398 1.952,399 1,400 1.179,402 2.283,403 0.946,404 2.13,405 1.256,406 3.259,407 1.819,408 0.939,409 1,411 2.136,412 0.808,413 2.118,414 0.825,415 3.247,416 1.618,417 0.652,418 0.932,420 1.711,421 0.618,422 2,423 0.618,424 3,425 1.595,426 0.618,427 0.927,428 1.372,429 0.6,430 1.216,431 0.38,432 2.697,433 0.676,434 -0.278,435 -0.368,436 -0.725,437 -0.251,438 0.597,439 -0.215,440 2.544,441 0.4,442 -0.55,443 -0.651,445 -1.353,446 -0.527,447 0.27,448 -0.36,449 2.143,450 0.046,451 -0.874,452 -0.933,454 -2.263,455 -0.783,456 0.17,457 -0.579,458 2,459 -0.149,460 -1,461 -1,463 -2.347,464 -0.846,465 10.067,466 0.479,467 0.432,468 0.021,469 26,470 1.238,471 11.5,472 0.548,473 14.5,474 0.69,475 15.998,476 0.762,477 22.333,478 0.657,479 16.865,480 0.803,481 5.172,482 0.246,483 5.155,484 0.245,485 0.033,487 0.338,493 0.81,494 1.222,495 0.649,496 0.973,497 0.567,498 0.864,499 1.168,500 0.946,501 0.912,502 0.857,503 0.725,504 0.802,505 1.198,506 0.887,507 0.841,508 0.857,509 1.001,510 0.835,511 0.896,512 0.964,513 0.87,514 0.953,515 0.833,516 0.938,517 0.907,518 1.014,519 0.88,520 0.947,521 0.962,522 0.941,523 1.043,524 0.929,525 1.102,526 0.987,527 1.695,528 1.009,529 1.132,530 1.342,531 1.633,532 1.49,533 1.926,534 1.398,535 1.146,536 1.218,537 1.657,538 1.518,539 1.034,540 1.399,541 3,542 0.005,543 2.444,544 1.062,545 1.006,546 0.701,547 0.407,548 0.174,549 0.027,550 0.021,551 4358,552 13062,553 2.215,554 38.2,556 11,557 2,564 1.636,565 2.136,566 3.001,567 -0.704,569 1,571 1,573 58.265,574 1.714,575 3.864,576 4.44,577 4.499,578 4.499,579 4.499,580 2.453,581 4.011,582 4.365,583 3.089,584 648.703,585 7.501,586 6646.13,587 1,588 1,589 1,590 1,591 172.974,592 1.166,593 4.35,594 0.125,595 0.002,596 0.072,597 0.033,598 0.032,599 0.026,600 0.017,601 0.009,602 0.002,603 0.003,604 0.323,605 0.5,606 1,607 0.418,608 92.742,609 -0.057,610 -0.196,611 0.075,612 -0.061,613 -0.016,614 -0.014,615 -0.163,616 0.109,617 -0.027,618 0.084,619 -0.035,620 0.07,621 -0.127,622 0.122,623 0.091,624 0.071,625 -0.07,626 0.088,627 0.143,628 -0.006,629 0.059,630 0.003,631 0.128,632 0.004,633 0.021,634 -0.066,635 0.089,636 0.024,637 -0.028,638 0.054,639 -0.016,640 0.041,641 -0.119,642 0.002,643 -0.083,644 -0.053,645 -0.112,646 -0.324,647 -0.463,648 -0.361,649 -0.157,650 -0.453,651 -0.184,652 -0.236,653 -0.419,654 -0.385,655 -0.204,656 -0.368,657 1.68,658 5.287,659 0.952,660 14.304,661 1.023,662 1.11,663 1.156,664 1.337,665 0.707,666 3.219,667 3.555,668 3.892,669 4.205,670 4.394,671 4.554,672 4.71,673 4.812,674 4.836,675 4.82,676 4.783,677 0.683,678 303.36,679 3.219,680 4.762,681 5.638,682 6.532,683 7.427,684 8.331,685 9.233,686 10.142,687 11.049,688 11.96,689 2.9,692 1,704 4,707 1,708 1,709 4,711 10,716 1,729 1,731 34,733 12,735 24,737 37,738 15,739 8,742 3,746 4,747 5,761 11,762 4,766 2,771 1,773 1,775 2,777 1,778 1,780 1,781 13,782 5,784 6,785 1,790 1,794 0.75,795 4,811 2,812 2,815 1,831 1,836 1,839 1,840 3,842 1,848 21,854 4,856 2,859 1,865 1,870 11.8,873 1,874 1,875 2,877 9.833,878 6.2,879 4.556,880 2.042,881 2.184,882 1.306,883 1.019,884 3.41,885 9.319,886 3.466,887 4.034,888 4.642,889 5.23,890 5.554,891 6.023,892 6.392,893 6.722,894 6.947,895 7.038,896 1,897 32,898 7.788,900 3.415,901 7.754,902 14.876,904 12.507,905 2.254,906 47.333,907 0.001,910 153.024,911 117.675,912 3.124,914 56.652,916 31.278,917 86.398,918 209.676,919 3.124,921 13.396,922 47.817,923 41.278,924 36.875,925 30.349,926 160.76,928 153.024,929 89.522,930 56.652,931 31.278,933 153.024,934 45.652,935 11,937 16.52,938 63.525,939 9.476,940 31.278,941 153.024,942 59.776,943 117.675,946 153.024,947 69.858,948 50.942,950 56.652,951 153.024,952 59.776,953 117.675,955 0.58,956 0.351,957 0.201,958 0.102,959 19,960 7,961 0.054,962 2,963 1,964 1.1,965 3.384,966 173.063,967 0.1,968 20,969 88.239,970 1,974 13.249,975 5.405,976 2.351,978 59.776,979 7.2,982 5.422,983 1.385,984 2.762,987 330.476,988 31,993 12.287,995 1.566,997 0.586,999 34.789,1000 37.747,1001 0.337,1002 0.759,1003 0.873,1004 0.884,1005 0.884,1006 0.884,1007 4.714,1008 1,1009 5.617,1010 2.932,1011 4.234,1012 4.718,1013 1.724,1014 6.46,1015 4.115,1016 5.902,1017 0.939,1018 7.188,1019 2.283,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.635,1025 7.208,1026 0.652,1027 8.865,1028 2.136,1029 5.844,1030 6.864,1031 1.676,1032 10.567,1033 5.629,1034 8.554,1035 0.618,1036 10.607,1037 1.711,1038 6.275,1039 7.534,1040 0.424,1041 12.386,1042 6.044,1043 9.94,1044 -0.278,1045 12.391,1046 1.372,1047 7.772,1048 9.337,1049 1.733,1050 15.037,1051 7.467,1052 11.352,1053 -0.55,1054 14.203,1055 -0.725,1056 8.603,1057 10.429,1058 0.581,1059 17.193,1060 8.266,1061 12.784,1062 -0.874,1063 16.034,1064 -1.353,1065 9.879,1066 11.999,1067 1.843,1068 19.682,1069 9.481,1070 3.244,1071 -1,1072 17.88,1073 -2.263,1074 10.89,1075 13.284,1076 0.788,1077 21.981,1078 10.449,1079 2.806,1080 11.297,1081 19.736,1082 -2.347,1083 12.084,1084 14.768,1085 1.986,1086 24.417,1087 11.588,1088 2.558,1089 9.122,1090 21.601,1091 4.282,1092 13.176,1093 16.14,1094 1.027,1095 26.779,1096 12.633,1097 2,1098 8.293,1099 23.472,1100 3.561,1101 14.343,1102 17.594,1103 2.153,1104 29.199,1105 13.747,1106 1.819,1107 5.751,1108 25.348,1109 3.166,1110 15.473,1111 19.006,1112 1.284,1113 31.591,1114 14.827,1115 1.354,1116 4.671,1117 27.23,1118 2.674,1119 16.633,1120 20.453,1121 2.337,1122 34.008,1123 15.936,1124 1.248,1125 3.523,1126 29.115,1127 2.016,1128 17.781,1129 21.884,1130 1.553,1131 36.415,1132 17.033,1133 4075,1134 7181,1135 16.701,1136 24.04,1137 37.082,1138 37.448,1139 36.623,1140 36.49,1141 36.475,1142 46.186,1143 5.281,1144 106.184,1145 34.141,1146 5.591,1147 5.648,1148 6.625,1149 5.332,1150 5.244,1151 7.036,1152 2.22,1153 18.663,1154 5.066,1155 5.297,1156 1.545,1157 1.56,1158 1.526,1159 1.52,1160 1.52,1161 1.924,1162 0.22,1163 4.424,1164 1.423,1165 4.04,1166 4.034,1167 4.277,1168 4.004,1169 7.428,1170 3.966,1171 3.822,1172 3.855,1173 3.776,1174 3.651,1175 5.101,1176 3.668,1177 3.696,1178 3.712,1179 3.703,1180 3.549,1181 4.794,1182 3.541,1183 3.324,1184 3.339,1185 3.368,1186 3.221,1187 4.595,1188 3.21,1189 3.111,1190 3.206,1191 2.906,1192 2.941,1193 4.211,1194 2.91,1195 2.915,1196 2.929,1197 2.866,1198 2.644,1199 3.678,1200 2.675,1201 2.589,1202 2.619,1203 2.68,1204 2.404,1205 3.621,1206 2.353,1207 2.444,1208 2.511,1209 2.352,1210 2.212,1211 3.474,1212 2.221,1213 0.191,1214 0.152,1215 0.284,1216 0.175,1217 0.135,1218 4.591,1219 0.178,1220 3.648,1221 0.047,1222 6.823,1223 0.471,1224 4.193,1225 0.128,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.084,1231 1.788,1232 1.769,1233 1.936,1234 1.995,1235 1.206,1236 1.978,1237 1.628,1238 1.6,1239 1.738,1240 1.791,1241 0.889,1242 1.769,1243 1.532,1244 1.524,1245 1.633,1246 1.632,1247 0.825,1248 1.644,1249 1.387,1250 1.365,1251 1.513,1252 1.585,1253 0.749,1254 1.57,1255 1.153,1256 1.064,1257 1.494,1258 1.376,1259 0.569,1260 1.429,1261 1.047,1262 1.051,1263 1.082,1264 1.172,1265 0.353,1266 1.202,1267 0.877,1268 0.857,1269 1.076,1270 1.11,1271 0.165,1272 1.099,1273 0.64,1274 0.595,1275 0.895,1276 0.889,1277 0.069,1278 0.926,1279 3.892,1281 5.22,1282 3.045,1283 6.749,1284 5.283,1285 8.371,1286 7.31,1287 10.046,1295 2.76,1297 11.33,1300 2.036,1305 23.229,1306 58.265,1307 131.364,1308 150.974,1309 152.974,1310 152.974,1311 152.974,1312 28.53,1313 7.134,1314 55.82,1315 84.06,1316 22,1317 12.475,1318 3.7,1319 3,1320 27.855,1321 60,1322 58,1323 0.234,1324 141.428,1325 245.65,1326 336.844,1327 10731,1329 14.234,1330 0.678,1331 0.572,1332 14.587,1333 12.02,1334 10.326,1335 0.43,1336 0.318,1337 6.684,1338 9.325,1339 6.525,1340 5.295,1341 10.781,1342 7.626,1343 9.22,1344 0.271,1345 0.168,1346 9.745,1347 5.713,1348 8.235,1349 0.172,1350 0.094,1351 9.005,1352 4.516,1353 7.246,1354 0.11,1355 0.051,1356 8.096,1357 3.364,1358 5.44,1359 0.068,1360 0.027,1361 6.162,1362 2.134,1363 0.352,1364 70.377,1365 0.245,1366 20.376,1367 0.69,1368 116,1369 395.448,1370 153.54,1371 382.974,1372 523.81,1373 362,1374 140,1375 370.126,1376 179.054,1377 379.461,1378 565.96,1379 358,1380 6.255}
{0 CHEMBL2322243,1 1.69,2 9.28,3 3.064,4 9.387,5 93.266,6 8.935,7 0.379,8 3.865,9 3.926,10 3.64,11 3.433,12 4.968,13 3.435,14 4.436,15 4.541,16 4.034,17 3.839,18 5.557,19 3.833,20 4.578,21 4.718,22 4.074,23 3.909,24 5.658,25 3.881,26 4.565,27 4.708,28 3.955,29 3.897,30 5.681,31 3.833,32 4.55,33 4.733,34 3.86,35 3.813,36 5.556,37 3.733,38 4.401,39 4.53,40 3.917,41 3.748,42 5.572,43 3.703,44 4.349,45 4.453,46 3.838,47 3.695,48 5.584,49 3.618,50 4.238,51 4.401,52 3.471,53 3.483,54 5.3,55 3.376,56 0.121,57 0.54,58 6.183,59 4.018,60 6.584,61 3.921,62 0.564,63 0.944,64 16.103,65 7.006,66 25.646,67 6.471,68 0.557,69 1.088,70 20.03,71 8.313,72 28.726,73 8.314,74 0.574,75 1.049,76 19.485,77 8.785,78 37.084,79 9.262,80 0.588,81 1.05,82 23.718,83 9.016,84 36.804,85 10.01,86 0.503,87 0.894,88 17.769,89 7.529,90 37.218,91 7.36,92 0.553,93 0.874,94 18.836,95 7.58,96 45.539,97 6.713,98 0.427,99 0.79,100 20.575,101 7.28,102 28.095,103 7.522,104 2,105 42,106 0.297,107 0.662,108 0.801,109 0.83,110 0.839,111 0.839,112 3.268,113 0.926,114 -2.94,115 -2.94,116 -2.84,119 45,125 4,126 1,135 1,139 1,142 3,143 2,144 3,151 1,152 1,157 1,172 4,174 2,175 6,183 5,186 1,187 7,195 4,198 2,199 7,207 3,211 1,212 6,220 2,223 1,224 5,232 2,236 2,237 4,245 1,249 2,250 3,262 2,263 3,275 866,276 17.447,277 17.447,278 17.447,279 17.447,280 17.447,281 15.889,282 19.859,283 10.193,284 18.095,285 14.352,286 14.352,287 14.352,288 14.352,289 14.352,290 11.765,291 24.215,292 4.856,293 15.397,294 3.632,295 1.558,296 0.769,297 0.6,298 0.55,299 0.55,300 3.985,303 1,304 1,305 1,306 529,307 2.121,310 99.827,311 180.41,314 174.646,318 1.434,319 27.804,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 55.5,331 232,332 4.599,333 3.649,334 6.827,335 4.202,336 3.251,337 4.298,338 1.392,339 11.315,340 3.096,341 4.28,342 3.315,343 6.245,344 3.891,345 2.94,346 3.88,347 1.138,348 9.404,349 2.794,350 4.004,351 3.176,352 6.115,353 3.672,354 2.749,355 3.342,356 0.86,357 8.959,358 2.546,359 3.731,360 3.001,361 5.913,362 3.439,363 2.461,364 2.983,365 0.643,366 8.127,367 2.369,368 3.252,369 2.43,370 5.059,371 2.84,372 1.853,373 2.443,374 0.532,375 5.61,376 1.81,377 2.98,378 2.249,379 4.537,380 2.701,381 1.818,382 2.025,384 4.671,385 1.594,386 2.886,387 1.991,388 4.385,389 2.477,390 1.534,391 1.999,393 4.224,394 1.439,395 2.589,396 1.797,397 4.097,398 2.168,399 1.272,400 1.611,402 3.196,403 1.153,404 2.457,405 1.713,406 3.754,407 2.08,408 1.175,409 1.408,411 2.91,412 1.027,413 2.2,414 1.27,415 3.449,416 1.952,417 1,418 1.155,420 2.37,421 0.946,422 2.149,423 1.256,424 3.429,425 1.951,426 1,427 1.043,428 2.136,429 0.94,430 2,431 1.165,432 3.247,433 1.69,434 0.814,435 1,436 2.109,437 0.69,438 1.637,439 0.746,440 3.037,441 1.327,442 0.395,443 0.474,445 0.985,446 0.364,447 1.221,448 0.416,449 2.706,450 0.692,451 -0.257,452 -0.335,454 -0.672,455 -0.231,456 0.738,457 -0.186,458 2.66,459 0.443,460 -0.524,461 -0.643,463 -1.33,464 -0.507,465 11.9,466 0.476,467 0.551,468 0.022,469 32,470 1.28,471 14.5,472 0.58,473 17.5,474 0.7,475 19.904,476 0.796,477 26.5,478 0.663,479 22.049,480 0.882,481 6.29,482 0.252,483 6.003,484 0.24,485 0.028,487 0.37,493 0.825,494 1.21,495 0.64,496 0.987,497 0.605,498 0.857,499 1.177,500 0.849,501 0.908,502 0.779,503 0.762,504 0.745,505 1.054,506 0.931,507 0.84,508 0.903,509 0.938,510 0.89,511 0.902,512 1.015,513 0.947,514 0.985,515 0.829,516 1.048,517 0.852,518 0.953,519 0.949,520 0.946,521 0.901,522 0.917,523 1.036,524 1.006,525 0.983,526 1.016,527 1.62,528 0.944,529 1.063,530 1.272,531 1.554,532 1.454,533 1.885,534 1.291,535 0.724,536 1.299,537 1.577,538 1.591,539 0.811,540 1.341,541 4,542 0.04,543 3.111,544 1.417,545 1.294,546 0.885,547 0.556,548 0.272,549 0.161,550 0.109,551 7485,552 22151,553 2.251,554 37.5,556 12,557 3,564 1.683,565 2.174,566 3.227,567 -0.711,568 1,569 1,571 1,573 67.605,574 1.69,575 3.763,576 4.553,577 4.722,578 4.772,579 4.772,580 2.695,581 4.214,582 4.616,583 3.339,584 1001.59,585 7.998,586 11660.9,587 1,588 1,589 1,590 1,591 212.877,592 1.159,593 4.603,594 0.138,595 0.004,596 0.074,597 0.035,598 0.035,599 0.027,600 0.016,601 0.009,602 0.008,603 0.007,604 0.353,605 0.5,606 0.88,607 0.372,608 118.5,609 -0.062,610 -0.187,611 0.076,612 -0.068,613 -0.037,614 -0.011,615 -0.115,616 0.198,617 -0.024,618 0.164,619 -0.031,620 0.122,621 -0.106,622 0.083,623 0.052,624 0.029,625 -0.056,626 0.037,627 -0.007,628 -0.055,629 -0.047,630 -0.029,631 0.054,632 -0.084,633 0.011,634 0.007,635 0.087,636 0.067,637 -0.015,638 0.119,639 -0.047,640 -0.018,641 0.031,642 0.01,643 -0.12,644 0.009,645 -0.019,646 -0.224,647 -0.325,648 -0.281,649 -0.168,650 -0.354,651 0.107,652 -0.281,653 -0.304,654 -0.414,655 0.072,656 -0.297,657 1.681,658 5.522,659 0.96,660 19.626,661 1.025,662 1.109,663 1.709,664 2.92,665 0.706,666 3.401,667 3.761,668 4.111,669 4.431,670 4.663,671 4.828,672 5.03,673 5.204,674 5.288,675 5.412,676 5.562,677 0.687,678 357.41,679 3.401,680 4.963,681 5.849,682 6.751,683 7.652,684 8.56,685 9.468,686 10.38,687 11.29,688 12.204,689 2.5,692 1,704 4,708 1,709 6,711 11,716 1,729 3,731 40,733 13,734 1,735 29,737 44,738 18,739 10,740 3,741 3,742 3,746 5,747 7,761 13,762 5,766 2,771 1,773 1,775 2,777 1,778 1,781 15,782 6,784 7,785 1,790 1,794 0.6,795 5,811 2,812 3,815 2,831 1,836 1,839 1,840 3,842 1,848 25,854 5,856 4,859 1,865 1,870 12.5,873 1,874 1,875 3,877 11.5,878 7.367,879 5.333,880 2.396,881 2.614,882 1.329,883 1.033,884 3.858,885 10.559,886 3.624,887 4.216,888 4.833,889 5.424,890 5.901,891 6.316,892 6.743,893 7.156,894 7.472,895 7.79,896 1,897 41,898 9.283,900 4.122,901 7.727,902 17.777,904 15.159,905 2.227,906 55.667,909 1,910 176.567,911 130.286,912 3.124,914 69.144,916 31.278,917 99.008,918 245.711,919 3.124,921 20.046,922 45.554,923 41.278,924 63.04,925 36.672,926 172.531,928 176.567,929 102.133,930 69.144,931 31.278,933 176.567,934 58.145,935 11,937 23.171,938 69.486,939 9.476,940 31.278,941 176.567,942 72.269,943 130.286,946 176.567,947 84.732,948 48.678,950 69.144,951 176.567,952 72.269,953 130.286,955 0.588,956 0.356,957 0.201,958 0.105,959 24,960 9,961 0.045,962 2,963 2,964 1.167,965 3.77,966 226.488,967 0.167,968 24,969 110.096,970 1,974 15.522,975 6.214,976 2.696,978 72.269,979 7.711,983 1.403,984 4.535,987 379.121,988 36.5,993 12.522,995 1.577,997 0.584,999 41,1000 44.372,1001 0.318,1002 0.707,1003 0.856,1004 0.887,1005 0.897,1006 0.897,1007 4.896,1008 1.272,1009 5.838,1010 4.224,1011 4.443,1012 4.902,1013 2.307,1014 6.691,1015 4.315,1016 6.092,1017 1.175,1018 7.416,1019 3.196,1020 4.007,1021 4.718,1022 0.325,1023 7.644,1024 3.861,1025 7.408,1026 1,1027 9.097,1028 2.91,1029 6.071,1030 7.072,1031 2.565,1032 10.786,1033 5.841,1034 8.763,1035 1,1036 10.838,1037 2.37,1038 6.509,1039 7.767,1040 0.424,1041 12.584,1042 6.248,1043 10.155,1044 0.814,1045 12.619,1046 2.136,1047 8.005,1048 9.569,1049 3.007,1050 15.224,1051 7.679,1052 11.571,1053 0.395,1054 14.425,1055 2.109,1056 8.832,1057 10.653,1058 0.581,1059 17.359,1060 8.464,1061 13.005,1062 -0.257,1063 16.25,1064 0.985,1065 10.107,1066 12.239,1067 3.539,1068 19.834,1069 9.685,1070 3.251,1071 -0.524,1072 18.088,1073 -0.672,1074 11.11,1075 13.506,1076 0.788,1077 22.114,1078 10.641,1079 2.94,1080 11.315,1081 19.937,1082 -1.33,1083 12.3,1084 15.004,1085 4.123,1086 24.537,1087 11.782,1088 2.749,1089 9.404,1090 21.793,1091 4.298,1092 13.383,1093 16.357,1094 1.027,1095 26.885,1096 12.816,1097 2.461,1098 8.959,1099 23.656,1100 3.88,1101 14.544,1102 17.819,1103 4.736,1104 29.294,1105 13.93,1106 1.853,1107 8.127,1108 25.524,1109 3.342,1110 15.665,1111 19.217,1112 1.284,1113 31.676,1114 15.001,1115 1.818,1116 5.61,1117 27.397,1118 2.983,1119 16.819,1120 20.665,1121 5.368,1122 34.085,1123 16.108,1124 1.534,1125 4.671,1126 29.274,1127 2.443,1128 17.958,1129 22.085,1130 1.553,1131 36.484,1132 17.2,1133 6786,1134 11816,1135 20.285,1136 28.256,1137 44.806,1138 46.23,1139 44.879,1140 44.48,1141 44.523,1142 55.323,1143 9.127,1144 132.031,1145 41.533,1146 5.599,1147 5.649,1148 6.629,1149 5.341,1150 5.251,1151 7.298,1152 2.783,1153 18.7,1154 5.096,1155 6.051,1156 1.545,1157 1.594,1158 1.548,1159 1.534,1160 1.535,1161 1.908,1162 0.315,1163 4.553,1164 1.432,1165 4.054,1166 4.054,1167 4.277,1168 4.029,1169 7.428,1170 3.996,1171 3.868,1172 3.886,1173 3.872,1174 3.76,1175 5.019,1176 3.756,1177 3.732,1178 3.757,1179 3.707,1180 3.565,1181 4.827,1182 3.565,1183 3.392,1184 3.403,1185 3.373,1186 3.242,1187 4.606,1188 3.249,1189 3.2,1190 3.229,1191 3.205,1192 2.999,1193 4.362,1194 3.007,1195 3.111,1196 3.206,1197 2.883,1198 2.941,1199 4.13,1200 2.91,1201 2.919,1202 2.939,1203 2.866,1204 2.742,1205 3.959,1206 2.732,1207 2.819,1208 2.866,1209 2.743,1210 2.578,1211 3.677,1212 2.618,1213 0.159,1214 0.126,1215 0.235,1216 0.145,1217 0.112,1218 4.599,1219 0.148,1220 3.649,1221 0.048,1222 6.827,1223 0.39,1224 4.202,1225 0.107,1226 3.251,1227 4.298,1228 1.392,1229 11.315,1230 3.096,1231 1.896,1232 1.884,1233 1.972,1234 2.005,1235 1.207,1236 1.99,1237 1.768,1238 1.743,1239 1.929,1240 1.947,1241 1.114,1242 1.947,1243 1.573,1244 1.55,1245 1.661,1246 1.744,1247 0.825,1248 1.726,1249 1.326,1250 1.327,1251 1.513,1252 1.521,1253 0.8,1254 1.489,1255 1.153,1256 1.122,1257 1.442,1258 1.376,1259 0.588,1260 1.429,1261 1.153,1262 1.064,1263 1.351,1264 1.372,1265 0.565,1266 1.404,1267 1.004,1268 0.996,1269 1.079,1270 1.152,1271 0.347,1272 1.153,1273 0.794,1274 0.738,1275 1.078,1276 0.988,1277 0.16,1278 1.019,1279 4.078,1281 5.425,1282 3.045,1283 6.973,1284 5.352,1285 8.611,1286 7.424,1287 10.297,1295 2.954,1297 22.333,1300 2.047,1305 27.47,1306 67.605,1307 150.538,1308 182.122,1309 188.877,1310 190.877,1311 190.877,1312 33.562,1313 7.945,1314 61.14,1315 89.38,1316 28,1317 12.718,1318 3.807,1319 3.087,1320 31.991,1321 82,1322 82,1323 0.19,1324 163.88,1325 291.34,1326 391.628,1327 31049,1329 16.803,1330 0.672,1331 0.565,1332 17.156,1333 14.135,1334 12.293,1335 0.424,1336 0.309,1337 7.976,1338 11.174,1339 7.795,1340 6.314,1341 12.747,1342 8.955,1343 11.2,1344 0.267,1345 0.162,1346 11.724,1347 6.804,1348 10.166,1349 0.169,1350 0.09,1351 10.935,1352 5.413,1353 8.988,1354 0.108,1355 0.049,1356 9.839,1357 4.046,1358 7.131,1359 0.068,1360 0.026,1361 7.845,1362 2.685,1363 0.291,1364 83.083,1365 0.222,1366 23.879,1367 0.545,1368 142,1369 479.183,1370 183.304,1371 457.952,1372 629.33,1373 434,1374 173,1375 447.671,1376 215.819,1377 458.208,1378 687.05,1379 431,1380 7.125}
{0 CHEMBL2322244,1 1.637,2 9.792,3 3.279,4 10.754,5 93.962,6 8.376,7 0.407,8 3.849,9 3.926,10 3.572,11 3.428,12 4.946,13 3.406,14 4.4,15 4.53,16 3.934,17 3.812,18 5.468,19 3.778,20 4.569,21 4.72,22 4.029,23 3.902,24 5.636,25 3.859,26 4.572,27 4.73,28 3.907,29 3.909,30 5.672,31 3.822,32 4.586,33 4.789,34 3.81,35 3.841,36 5.56,37 3.731,38 4.423,39 4.593,40 3.762,41 3.741,42 5.511,43 3.655,44 4.295,45 4.411,46 3.708,47 3.643,48 5.54,49 3.554,50 4.216,51 4.39,52 3.419,53 3.512,54 5.194,55 3.375,56 0.057,57 0.548,58 7.492,59 4.166,60 5.26,61 4.524,62 0.356,63 0.935,64 17.502,65 7.08,66 20.885,67 7.417,68 0.446,69 1.086,70 21.81,71 8.379,72 26.341,73 9.052,74 0.441,75 1.072,76 21.262,77 9.081,78 35.364,79 10.309,80 0.459,81 1.097,82 25.529,83 9.509,84 34.613,85 11.28,86 0.318,87 0.93,88 20.602,89 8.087,90 33.185,91 8.854,92 0.471,93 0.834,94 19.3,95 7.186,96 44.116,97 7.045,98 0.197,99 0.786,100 18.634,101 7.063,102 18.748,103 7.811,104 6,105 38,106 0.288,107 0.644,108 0.785,109 0.802,110 0.802,111 0.802,112 3.229,113 0.963,114 -3.04,115 -3.04,116 -2.93,119 43.9,124 1,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,172 5,174 1,175 6,183 7,186 1,187 5,195 6,198 2,199 5,207 3,211 1,212 7,220 3,224 4,232 2,236 2,237 6,245 2,250 2,262 2,263 3,275 808,276 16.662,277 16.662,278 16.662,279 16.662,280 16.662,281 15.105,282 17.572,283 9.782,284 17.346,285 13.275,286 13.275,287 13.275,288 13.275,289 13.275,290 10.741,291 21.026,292 4.571,293 14.278,294 3.721,295 1.697,296 0.896,297 0.799,298 0.799,299 0.799,300 3.93,303 1,304 1,305 1,306 516,307 2.236,310 49.386,311 196.7,314 89.45,318 1.476,319 23.397,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 235,332 4.591,333 3.648,334 6.823,335 4.194,336 3.244,337 4.282,338 1.138,339 11.297,340 3.084,341 4.125,342 3.179,343 6.165,344 3.765,345 2.814,346 3.646,347 0.86,348 9.125,349 2.7,350 3.905,351 3.046,352 5.963,353 3.553,354 2.609,355 3.266,356 0.86,357 8.314,358 2.431,359 3.663,360 2.811,361 5.335,362 3.315,363 2.352,364 2.924,365 0.643,366 6.819,367 2.252,368 3.23,369 2.419,370 5.019,371 2.813,372 1.837,373 2.418,375 5.529,376 1.773,377 2.98,378 2.226,379 4.537,380 2.701,381 1.816,382 2,384 4.67,385 1.594,386 2.586,387 1.765,388 4.096,389 2.096,390 1.268,391 1.608,393 3.137,394 1.044,395 2.5,396 1.339,397 3.754,398 2.026,399 1.088,400 1.5,402 2.894,403 1.002,404 2.444,405 1.256,406 3.444,407 2,408 1,409 1.387,411 2.275,412 1,413 2.182,414 1.254,415 3.414,416 1.952,417 1,418 1.071,420 2.153,421 0.946,422 2,423 1,424 3.247,425 1.702,426 0.847,427 1,428 2.136,429 0.701,430 1.652,431 0.961,432 2.824,433 1.343,434 0.47,435 0.537,436 0.738,437 0.405,438 1.228,439 0.429,440 2.695,441 0.702,442 -0.239,443 -0.309,445 -0.574,446 -0.214,447 0.82,448 -0.138,449 2.538,450 0.482,451 -0.485,452 -0.623,454 -1.117,455 -0.464,456 0.536,457 -0.29,458 2.231,459 0.314,460 -0.62,461 -0.702,463 -1.403,464 -0.578,465 11.567,466 0.482,467 0.5,468 0.021,469 30,470 1.25,471 14,472 0.583,473 16,474 0.667,475 19.154,476 0.798,477 25.633,478 0.625,479 20.935,480 0.872,481 6.009,482 0.25,483 5.749,484 0.24,485 0.072,487 0.337,493 0.799,494 1.217,495 0.683,496 0.997,497 0.592,498 0.903,499 1.238,500 0.865,501 0.912,502 0.793,503 0.764,504 0.759,505 1.166,506 0.917,507 0.844,508 0.886,509 0.981,510 0.868,511 0.906,512 1.037,513 0.945,514 1.001,515 0.836,516 1.058,517 0.822,518 0.964,519 0.93,520 0.951,521 0.886,522 0.929,523 1.102,524 0.983,525 1.045,526 0.994,527 1.62,528 0.939,529 1.135,530 1.253,531 1.545,532 1.421,533 2.007,534 1.274,535 0.781,536 1.369,537 1.434,538 1.548,539 0.963,540 1.38,541 4,542 0.062,543 2.889,544 1.285,545 1.268,546 0.941,547 0.582,548 0.28,549 0.148,550 0.108,551 6304,552 18066,553 2.161,554 41.5,556 16,557 1,564 1.672,565 2.057,566 3.262,567 -0.74,568 1,569 1,571 1,573 67.114,574 1.637,575 3.661,576 4.461,577 4.559,578 4.559,579 4.559,580 2.721,581 4.137,582 4.552,583 3.362,584 927.786,585 7.872,586 10549.1,587 1,588 1,590 1,591 219.66,592 1.281,593 4.532,594 0.148,595 0.007,596 0.076,597 0.033,598 0.036,599 0.03,600 0.019,601 0.011,602 0.008,603 0.008,604 0.377,605 0.5,606 1,607 0.681,608 112.638,609 -0.033,610 -0.169,611 0.08,612 -0.052,613 -0.025,614 -0.009,615 -0.155,616 0.193,617 0.011,618 0.166,619 -0.036,620 0.14,621 -0.095,622 0.105,623 0.064,624 0.049,625 -0.055,626 0.05,627 0.031,628 -0.069,629 -0.047,630 -0.044,631 0.061,632 -0.1,633 0.046,634 -0.006,635 0.081,636 0.051,637 -0.01,638 0.086,639 -0.126,640 0.002,641 -0.011,642 0.034,643 -0.115,644 0.04,645 0.028,646 -0.199,647 -0.339,648 -0.276,649 -0.122,650 -0.341,651 -0.034,652 -0.353,653 -0.271,654 -0.421,655 -0.105,656 -0.365,657 1.664,658 5.46,659 0.875,660 19.972,661 1.014,662 1.112,663 1.807,664 3.265,665 0.697,666 3.332,667 3.664,668 3.989,669 4.277,670 4.533,671 4.673,672 4.844,673 4.963,674 5.05,675 5.112,676 5.58,677 0.665,678 343.43,679 3.332,680 4.875,681 5.746,682 6.635,683 7.525,684 8.423,685 9.322,686 10.226,687 11.13,688 12.038,689 2.4,692 1,704 5,708 1,709 5,711 11,716 1,729 2,731 41,733 13,734 1,735 27,737 44,738 18,739 10,740 2,741 4,742 3,746 4,747 5,761 13,762 5,766 2,771 1,773 1,775 2,777 1,778 1,781 17,782 5,784 6,785 1,790 1,794 0.75,795 4,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 1,848 24,854 4,856 3,859 1,865 1,870 9.8,873 1,874 1,875 2,877 11.667,878 7.783,879 5.306,880 2.403,881 2.503,882 1.335,883 0.999,884 4.395,885 9.972,886 3.57,887 4.139,888 4.742,889 5.314,890 5.792,891 6.175,892 6.578,893 6.94,894 7.271,895 7.526,896 0.857,897 39,898 8.894,900 3.825,901 7.708,902 17.065,904 14.15,905 2.208,906 53,909 1,910 200.109,911 138.752,912 3.124,914 58.145,916 31.278,917 107.474,918 258.253,919 3.124,920 10.883,921 13.396,922 55.03,923 41.278,924 46.797,925 13.13,926 219.615,928 200.109,929 110.598,930 58.145,931 31.278,933 200.109,934 47.145,935 11,937 16.52,938 84.602,939 9.476,940 31.278,941 200.109,942 61.269,943 138.752,946 200.109,947 72.838,948 69.038,950 58.145,951 200.109,952 61.269,953 138.752,955 0.579,956 0.351,957 0.192,958 0.105,959 20,960 8,961 0.068,962 3,963 1,964 1.095,965 3.629,966 204.616,967 0.095,968 21,969 102.039,970 1,974 15.817,975 6.668,976 3.026,978 61.269,979 9.732,983 1.42,984 4.042,987 400.129,988 34.5,993 12.46,995 1.585,997 0.617,999 41.556,1000 45.578,1001 0.306,1002 0.683,1003 0.833,1004 0.851,1005 0.851,1006 0.851,1007 4.818,1008 1.088,1009 5.727,1010 3.137,1011 4.344,1012 4.824,1013 1.958,1014 6.561,1015 4.215,1016 6.009,1017 1,1018 7.296,1019 2.894,1020 3.892,1021 4.59,1022 0.325,1023 7.506,1024 3.754,1025 7.317,1026 1,1027 8.968,1028 2.275,1029 5.953,1030 6.978,1031 1.862,1032 10.633,1033 5.728,1034 8.663,1035 0.847,1036 10.702,1037 2.153,1038 6.365,1039 7.619,1040 0.424,1041 12.429,1042 6.117,1043 10.045,1044 0.47,1045 12.476,1046 2.136,1047 7.864,1048 9.448,1049 1.867,1050 15.071,1051 7.55,1052 11.452,1053 -0.239,1054 14.277,1055 0.738,1056 8.67,1057 10.492,1058 0.581,1059 17.214,1060 8.318,1061 12.877,1062 -0.485,1063 16.098,1064 -0.574,1065 9.949,1066 12.094,1067 1.933,1068 19.698,1069 9.542,1070 3.244,1071 -0.62,1072 17.934,1073 -1.117,1074 10.94,1075 13.336,1076 0.788,1077 21.991,1078 10.488,1079 2.814,1080 11.297,1081 19.781,1082 -1.403,1083 12.134,1084 14.843,1085 2.045,1086 24.424,1087 11.631,1088 2.609,1089 9.125,1090 21.638,1091 4.282,1092 13.213,1093 16.184,1094 1.027,1095 26.784,1096 12.661,1097 2.352,1098 8.314,1099 23.503,1100 3.646,1101 14.378,1102 17.652,1103 2.191,1104 29.202,1105 13.777,1106 1.837,1107 6.819,1108 25.374,1109 3.266,1110 15.5,1111 19.044,1112 1.284,1113 31.594,1114 14.848,1115 1.816,1116 5.529,1117 27.251,1118 2.924,1119 16.658,1120 20.497,1121 2.36,1122 34.01,1123 15.957,1124 1.268,1125 4.67,1126 29.133,1127 2.418,1128 17.801,1129 21.916,1130 1.553,1131 36.417,1132 17.05,1133 5979,1134 10245,1135 18.493,1136 28.563,1137 41.047,1138 42.231,1139 41.685,1140 40.608,1141 40.691,1142 51.278,1143 7.001,1144 118.174,1145 37.865,1146 5.591,1147 5.648,1148 6.625,1149 5.332,1150 5.244,1151 7.282,1152 2.22,1153 18.661,1154 5.084,1155 8.802,1156 1.52,1157 1.564,1158 1.544,1159 1.504,1160 1.507,1161 1.899,1162 0.259,1163 4.377,1164 1.402,1165 4.042,1166 4.045,1167 4.276,1168 4.026,1169 7.428,1170 3.989,1171 3.839,1172 3.871,1173 3.807,1174 3.744,1175 4.919,1176 3.735,1177 3.719,1178 3.742,1179 3.706,1180 3.563,1181 4.784,1182 3.561,1183 3.365,1184 3.385,1185 3.37,1186 3.236,1187 4.604,1188 3.235,1189 3.202,1190 3.264,1191 3.11,1192 2.96,1193 4.379,1194 2.955,1195 3.111,1196 3.206,1197 2.872,1198 2.941,1199 4.158,1200 2.91,1201 2.919,1202 2.935,1203 2.866,1204 2.735,1205 3.678,1206 2.715,1207 2.854,1208 2.925,1209 2.691,1210 2.686,1211 3.674,1212 2.688,1213 0.17,1214 0.135,1215 0.253,1216 0.155,1217 0.12,1218 4.591,1219 0.159,1220 3.648,1221 0.042,1222 6.823,1223 0.418,1224 4.194,1225 0.114,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.084,1231 1.915,1232 1.898,1233 2.007,1234 2.013,1235 1.207,1236 2.006,1237 1.77,1238 1.745,1239 1.932,1240 1.969,1241 1.119,1242 1.964,1243 1.575,1244 1.551,1245 1.67,1246 1.75,1247 0.825,1248 1.731,1249 1.359,1250 1.354,1251 1.573,1252 1.536,1253 0.803,1254 1.552,1255 1.153,1256 1.082,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 1.15,1262 1.064,1263 1.357,1264 1.334,1265 0.536,1266 1.383,1267 1,1268 0.981,1269 1.181,1270 1.151,1271 0.347,1272 1.152,1273 0.886,1274 0.821,1275 1.079,1276 1.062,1277 0.218,1278 1.107,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.727,1285 8.494,1286 6.862,1287 10.169,1289 1.642,1295 2.764,1297 16.684,1300 2.055,1305 27.282,1306 67.114,1307 150.096,1308 182.905,1309 186.905,1310 186.905,1311 186.905,1312 34.519,1313 7.469,1314 51.91,1315 80.15,1316 23,1317 12.556,1318 3.807,1319 3.087,1320 33.768,1321 78,1322 95,1323 0.212,1324 167.277,1325 294.91,1326 399.917,1327 16705,1329 16.518,1330 0.688,1331 0.587,1332 16.872,1333 14.097,1334 11.758,1335 0.435,1336 0.321,1337 7.711,1338 10.733,1339 7.468,1340 6.114,1341 12.212,1342 8.665,1343 10.365,1344 0.273,1345 0.17,1346 10.889,1347 6.464,1348 9.304,1349 0.176,1350 0.097,1351 10.074,1352 5.13,1353 7.885,1354 0.111,1355 0.053,1356 8.735,1357 3.752,1358 6.392,1359 0.069,1360 0.027,1361 7.114,1362 2.518,1363 0.325,1364 79.175,1365 0.233,1366 23.144,1367 0.605,1368 130,1369 421.448,1370 166.876,1371 410.247,1372 560.58,1373 388,1374 156,1375 392.308,1376 194.057,1377 406.862,1378 602.88,1379 382,1380 7.215}
{0 CHEMBL2322245,1 1.627,2 9.92,3 3.458,4 11.957,5 101.927,6 7.922,7 0.393,8 3.924,9 4.021,10 3.602,11 3.494,12 4.978,13 3.458,14 4.484,15 4.647,16 3.971,17 3.89,18 5.493,19 3.843,20 4.666,21 4.832,22 4.071,23 4.014,24 5.692,25 3.949,26 4.735,27 4.93,28 3.957,29 4.034,30 5.763,31 3.922,32 4.716,33 4.939,34 3.843,35 3.944,36 5.644,37 3.813,38 4.523,39 4.721,40 3.784,41 3.818,42 5.546,43 3.713,44 4.35,45 4.481,46 3.742,47 3.737,48 5.541,49 3.634,50 4.349,51 4.526,52 3.577,53 3.679,54 5.31,55 3.528,56 0.019,57 0.641,58 9.205,59 4.477,60 5.129,61 5.313,62 0.295,63 1.083,64 20.297,65 7.407,66 18.201,67 8.715,68 0.353,69 1.243,70 24.725,71 9.243,72 23.833,73 10.973,74 0.384,75 1.287,76 26.888,77 10.766,78 39.066,79 13.328,80 0.402,81 1.243,82 29.459,83 10.802,84 36.165,85 13.478,86 0.26,87 1.042,88 23.801,89 8.915,90 32.38,91 10.512,92 0.353,93 0.936,94 20.564,95 7.378,96 40.125,97 8.106,98 0.148,99 0.923,100 21.468,101 8.079,102 19.746,103 9.291,104 11,105 40,106 0.281,107 0.615,108 0.758,109 0.773,110 0.773,111 0.773,112 3.268,113 0.983,114 -3.27,115 -3.26,116 -3.12,119 42.2,124 2,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,172 5,174 1,175 6,183 7,186 1,187 5,195 6,198 2,199 5,207 3,211 1,212 7,220 3,224 4,232 2,236 2,237 6,245 2,250 2,262 2,263 3,275 905,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.466,282 19.775,283 9.919,284 17.613,285 13.815,286 13.815,287 13.815,288 13.815,289 13.815,290 11.32,291 26.161,292 4.691,293 14.791,294 3.865,295 1.929,296 1.1,297 1.011,298 1.011,299 1.011,300 3.965,303 1,304 1,305 1,306 541,307 2.646,310 52.668,311 209.05,314 95.51,318 1.53,319 21.008,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 248,332 4.591,333 3.648,334 6.823,335 4.194,336 3.244,337 4.283,338 1.138,339 11.298,340 3.086,341 4.152,342 3.179,343 6.168,344 3.794,345 2.838,346 3.679,347 0.86,348 9.132,349 2.73,350 3.963,351 3.06,352 5.988,353 3.643,354 2.713,355 3.301,356 0.8,357 8.41,358 2.525,359 3.733,360 2.933,361 5.877,362 3.453,363 2.482,364 2.976,365 0.643,366 7.996,367 2.377,368 3.289,369 2.435,370 5.073,371 2.891,372 1.903,373 2.477,375 5.65,376 1.86,377 2.983,378 2.255,379 4.537,380 2.701,381 1.819,382 2.003,384 4.671,385 1.594,386 2.628,387 1.773,388 4.167,389 2.274,390 1.329,391 1.652,393 3.411,394 1.249,395 2.527,396 1.534,397 3.754,398 2.082,399 1.252,400 1.51,402 2.939,403 1.027,404 2.5,405 1.264,406 3.706,407 2,408 1,409 1.5,411 2.583,412 1,413 2.305,414 1.256,415 3.443,416 1.952,417 1,418 1.249,420 2.275,421 0.946,422 2.169,423 1.075,424 3.414,425 1.923,426 1,427 1.035,428 2.136,429 0.911,430 2,431 1,432 3.247,433 1.672,434 0.788,435 1,436 2.098,437 0.674,438 1.245,439 0.428,440 2.702,441 0.722,442 -0.223,443 -0.288,445 -0.568,446 -0.201,447 0.891,448 -0.174,449 2.627,450 0.521,451 -0.463,452 -0.61,454 -1.184,455 -0.452,456 0.541,457 -0.36,458 2.323,459 0.334,460 -0.608,461 -0.69,463 -1.433,464 -0.575,465 12.133,466 0.485,467 0.627,468 0.025,469 30.75,470 1.23,471 14,472 0.56,473 16.75,474 0.67,475 21.017,476 0.841,477 26.867,478 0.597,479 22.015,480 0.881,481 6.102,482 0.244,483 6.029,484 0.241,485 0.11,487 0.354,493 0.791,494 1.337,495 0.718,496 1.029,497 0.595,498 0.949,499 1.222,500 0.823,501 0.886,502 0.737,503 0.691,504 0.715,505 1.149,506 0.989,507 0.871,508 0.955,509 0.964,510 0.951,511 0.835,512 0.984,513 0.884,514 0.974,515 0.769,516 1.019,517 0.871,518 0.954,519 0.916,520 0.962,521 0.898,522 0.943,523 1.151,524 0.948,525 0.993,526 0.947,527 1.624,528 0.891,529 1.197,530 1.272,531 1.53,532 1.399,533 2.087,534 1.255,535 0.837,536 1.391,537 1.449,538 1.562,539 0.964,540 1.38,541 4.5,542 0.107,543 3.333,544 1.535,545 1.308,546 1.004,547 0.623,548 0.333,549 0.179,550 0.147,551 7039,552 18155,553 2.13,554 44.4,556 19,557 1,564 1.682,565 2,566 3.29,567 -0.751,569 1,573 73.229,574 1.627,575 3.563,576 4.392,577 4.481,578 4.481,579 4.481,580 2.744,581 4.084,582 4.611,583 3.425,584 1027.58,585 7.987,586 12100.4,588 1,590 1,591 247.133,592 1.388,593 4.579,594 0.161,595 0.009,596 0.083,597 0.037,598 0.035,599 0.031,600 0.02,601 0.012,602 0.008,603 0.01,604 0.407,605 0.5,606 1,607 0.739,608 119.383,609 -0.014,610 -0.23,611 0.087,612 -0.061,613 -0.034,614 -0.017,615 -0.124,616 0.284,617 0.058,618 0.218,619 0.006,620 0.199,621 -0.056,622 0.041,623 0.033,624 -0.01,625 -0.046,626 -0.018,627 0.095,628 -0.028,629 0.02,630 -0.013,631 0.101,632 -0.037,633 0.069,634 -0.028,635 0.081,636 0.039,637 -0.008,638 0.065,639 -0.102,640 0.02,641 0.048,642 0.085,643 -0.081,644 0.098,645 -0.004,646 -0.18,647 -0.319,648 -0.245,649 -0.115,650 -0.304,651 -0.039,652 -0.36,653 -0.248,654 -0.396,655 -0.107,656 -0.365,657 1.649,658 5.516,659 0.84,660 21.68,661 1.005,662 1.117,663 2.039,664 4.158,665 0.686,666 3.367,667 3.714,668 4.025,669 4.304,670 4.554,671 4.71,672 4.89,673 5.004,674 5.1,675 5.193,676 5.821,677 0.647,678 356.48,679 3.367,680 4.92,681 5.79,682 6.681,683 7.57,684 8.469,685 9.367,686 10.271,687 11.174,688 12.082,689 4.4,692 1,695 1,704 5,708 1,709 5,711 11,716 1,726 1,729 1,731 45,733 13,734 1,735 28,737 48,738 19,739 10,740 2,741 4,742 3,746 4,747 5,761 13,762 6,766 2,771 1,773 1,775 2,777 1,778 1,781 20,782 5,784 6,785 1,790 2,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 2,848 25,854 4,856 2,859 2,865 1,870 6.7,873 1,874 1,875 1,877 12.5,878 8.817,879 5.417,880 2.644,881 2.519,882 1.333,883 0.998,884 4.629,885 10.079,886 3.597,887 4.171,888 4.768,889 5.336,890 5.812,891 6.209,892 6.626,893 6.979,894 7.319,895 7.612,896 0.857,897 41,898 9.275,900 3.969,901 7.64,902 17.945,904 14.906,905 2.14,906 53.5,909 1,910 235.422,911 142.175,912 6.249,914 47.145,916 31.278,917 110.897,918 282.567,919 6.249,920 16.793,921 13.396,922 55.03,923 41.278,924 36.434,925 13.13,926 254.929,928 235.422,929 117.146,930 47.145,931 31.278,933 235.422,934 36.145,935 11,937 16.52,938 91.149,939 9.476,940 31.278,941 235.422,942 53.393,943 142.175,946 235.422,947 70.352,948 78.072,950 47.145,951 235.422,952 53.393,953 142.175,955 0.588,956 0.349,957 0.186,958 0.101,959 21,960 9,961 0.063,962 3,963 1,964 1.095,965 3.688,966 216.151,967 0.095,968 21,969 106.096,970 1,974 16.763,975 6.904,976 3.239,978 53.393,979 10.283,983 1.441,984 4.51,987 430.99,988 35.5,993 12.516,995 1.6,997 0.647,999 45.214,1000 50.282,1001 0.296,1002 0.649,1003 0.8,1004 0.816,1005 0.816,1006 0.816,1007 4.858,1008 1.252,1009 5.784,1010 3.411,1011 4.394,1012 4.856,1013 1.882,1014 6.624,1015 4.272,1016 6.055,1017 1,1018 7.362,1019 2.939,1020 4.007,1021 4.649,1022 0.57,1023 7.585,1024 3.864,1025 7.364,1026 1,1027 9.042,1028 2.583,1029 6.014,1030 7.004,1031 1.759,1032 10.702,1033 5.796,1034 8.711,1035 1,1036 10.783,1037 2.275,1038 6.463,1039 7.659,1040 0.607,1041 12.498,1042 6.215,1043 10.094,1044 0.788,1045 12.561,1046 2.136,1047 7.937,1048 9.475,1049 1.78,1050 15.13,1051 7.628,1052 11.501,1053 -0.223,1054 14.365,1055 2.098,1056 8.76,1057 10.525,1058 0.69,1059 17.265,1060 8.409,1061 12.927,1062 -0.463,1063 16.187,1064 -0.568,1065 10.025,1066 12.121,1067 1.869,1068 19.74,1069 9.622,1070 3.244,1071 -0.608,1072 18.022,1073 -1.184,1074 11.021,1075 13.364,1076 0.847,1077 22.025,1078 10.571,1079 2.838,1080 11.298,1081 19.868,1082 -1.433,1083 12.206,1084 14.867,1085 2.001,1086 24.451,1087 11.707,1088 2.713,1089 9.132,1090 21.722,1091 4.283,1092 13.284,1093 16.208,1094 1.057,1095 26.805,1096 12.735,1097 2.482,1098 8.41,1099 23.582,1100 3.679,1101 14.442,1102 17.673,1103 2.161,1104 29.219,1105 13.845,1106 1.903,1107 7.996,1108 25.449,1109 3.301,1110 15.56,1111 19.065,1112 1.299,1113 31.606,1114 14.912,1115 1.819,1116 5.65,1117 27.321,1118 2.976,1119 16.712,1120 20.515,1121 2.341,1122 34.02,1123 16.016,1124 1.329,1125 4.671,1126 29.198,1127 2.477,1128 17.851,1129 21.933,1130 1.561,1131 36.424,1132 17.104,1133 6707,1134 10929,1135 18.898,1136 30.875,1137 43.246,1138 44.03,1139 43.823,1140 42.701,1141 42.736,1142 53.328,1143 6.881,1144 125.195,1145 39.956,1146 5.591,1147 5.648,1148 6.625,1149 5.333,1150 5.244,1151 7.283,1152 2.22,1153 18.663,1154 5.086,1155 11.135,1156 1.545,1157 1.572,1158 1.565,1159 1.525,1160 1.526,1161 1.905,1162 0.246,1163 4.471,1164 1.427,1165 4.048,1166 4.055,1167 4.276,1168 4.029,1169 7.428,1170 3.994,1171 3.853,1172 3.889,1173 3.828,1174 3.762,1175 4.886,1176 3.75,1177 3.73,1178 3.766,1179 3.707,1180 3.566,1181 4.698,1182 3.566,1183 3.452,1184 3.523,1185 3.374,1186 3.263,1187 4.592,1188 3.272,1189 3.297,1190 3.327,1191 3.277,1192 3.162,1193 4.265,1194 3.142,1195 3.111,1196 3.206,1197 2.902,1198 2.941,1199 4.114,1200 2.91,1201 2.919,1202 3.009,1203 2.866,1204 2.735,1205 3.678,1206 2.715,1207 2.874,1208 2.934,1209 2.704,1210 2.695,1211 3.674,1212 2.697,1213 0.164,1214 0.13,1215 0.244,1216 0.15,1217 0.116,1218 4.591,1219 0.153,1220 3.648,1221 0.041,1222 6.823,1223 0.403,1224 4.194,1225 0.11,1226 3.244,1227 4.283,1228 1.138,1229 11.298,1230 3.086,1231 1.932,1232 1.909,1233 2.03,1234 2.027,1235 1.207,1236 2.028,1237 1.773,1238 1.747,1239 1.934,1240 1.982,1241 1.152,1242 1.971,1243 1.58,1244 1.553,1245 1.741,1246 1.765,1247 0.849,1248 1.752,1249 1.465,1250 1.416,1251 1.652,1252 1.67,1253 0.825,1254 1.687,1255 1.256,1256 1.211,1257 1.513,1258 1.376,1259 0.772,1260 1.429,1261 1.153,1262 1.064,1263 1.417,1264 1.342,1265 0.558,1266 1.389,1267 1.001,1268 0.988,1269 1.355,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.821,1275 1.181,1276 1.151,1277 0.347,1278 1.151,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.727,1285 8.546,1286 6.862,1287 10.22,1289 4.033,1295 2.797,1297 11.54,1300 4.132,1305 29.116,1306 73.229,1307 160.321,1308 197.624,1309 201.624,1310 201.624,1311 201.624,1312 36.474,1313 7.56,1314 45.92,1315 74.16,1316 23,1317 12.6,1318 3.807,1319 3.087,1320 35.86,1321 85,1322 90,1323 0.207,1324 179.668,1325 314.42,1326 430.15,1327 18758,1329 17.389,1330 0.696,1331 0.605,1332 17.742,1333 15.136,1334 12.131,1335 0.433,1336 0.328,1337 8.221,1338 11.147,1339 7.897,1340 6.514,1341 12.585,1342 9.171,1343 11.095,1344 0.277,1345 0.179,1346 11.619,1347 7.177,1348 9.595,1349 0.174,1350 0.099,1351 10.364,1352 5.424,1353 8.1,1354 0.111,1355 0.054,1356 8.951,1357 3.921,1358 6.486,1359 0.069,1360 0.028,1361 7.208,1362 2.606,1363 0.318,1364 81.04,1365 0.23,1366 24.016,1367 0.584,1368 136,1369 403.357,1370 171.746,1371 400.673,1372 550.6,1373 378,1374 163,1375 389.875,1376 200.564,1377 407.908,1378 603.3,1379 382,1380 7.022}
{0 CHEMBL2322246,1 1.76,2 6.375,3 1.777,4 3.159,5 62.362,6 8.789,7 0.278,8 3.454,9 3.528,10 3.236,11 3.027,12 4.532,13 3.002,14 4.02,15 4.149,16 3.599,17 3.404,18 5.099,19 3.365,20 4.19,21 4.358,22 3.599,23 3.396,24 5.247,25 3.357,26 4.068,27 4.237,28 3.321,29 3.284,30 5.222,31 3.216,32 3.994,33 4.21,34 3.068,35 3.112,36 4.983,37 3.019,38 3.786,39 3.971,40 2.99,41 3.042,42 4.842,43 2.919,44 3.617,45 3.788,46 2.741,47 2.85,48 4.769,49 2.625,50 3.082,51 3.337,52 2.01,53 2.12,54 3.79,55 1.814,56 0.066,57 0.384,58 4.681,59 2.796,60 4.281,61 2.891,62 0.299,63 0.657,64 11.963,65 4.816,66 15.11,67 4.79,68 0.442,69 0.733,70 17.04,71 5.648,72 24.061,73 5.757,74 0.394,75 0.626,76 13.205,77 5.195,78 28.956,79 5.89,80 0.393,81 0.574,82 13.328,83 4.61,84 29.345,85 5.677,86 0.233,87 0.47,88 9.985,89 4.153,90 26.224,91 4.61,92 0.277,93 0.413,94 12.901,95 4.409,96 30.844,97 4.323,98 0.126,99 0.241,100 11.134,101 2.961,102 7.831,103 3.005,104 2,105 25,106 0.347,107 0.699,108 0.792,109 0.792,110 0.792,111 0.792,112 2.855,113 1.011,114 -2,115 -2.05,116 -2.05,119 40.7,125 4,135 1,139 1,142 1,144 1,151 1,152 1,157 1,174 1,175 4,183 1,186 1,187 2,195 1,198 2,199 2,207 1,211 1,212 2,236 1,237 1,250 1,275 232,276 11.069,277 11.069,278 11.069,279 11.069,280 11.069,281 10.172,282 13.258,283 6.62,284 11.609,285 8.91,286 8.91,287 8.91,288 8.91,289 8.91,290 7.451,291 16.375,292 3.153,293 9.768,294 2.995,295 1.213,296 0.741,297 0.741,298 0.741,299 0.741,300 3.532,304 1,305 1,306 225,307 1.581,310 30.755,311 76.392,314 53.694,318 1,319 17.614,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 35.5,331 102,332 4.444,333 3.619,334 6.526,335 4.045,336 3.108,337 4.041,338 1.138,339 10.26,340 2.916,341 3.915,342 3.172,343 6.068,344 3.602,345 2.689,346 3.198,347 0.86,348 8.763,349 2.446,350 3.393,351 2.757,352 5.058,353 3.003,354 2,355 2.568,356 0.643,357 5.765,358 1.981,359 2.981,360 2.339,361 4.535,362 2.701,363 1.819,364 1.999,366 4.665,367 1.594,368 2.57,369 1.769,370 3.687,371 2.085,372 1.265,373 1.584,375 2.91,376 1.028,377 2.31,378 1.267,379 3.43,380 1.952,381 1,382 1.243,384 2.332,385 0.946,386 2.134,387 1.256,388 3.366,389 1.896,390 1,391 1,393 2.136,394 0.878,395 2,396 1.033,397 3.247,398 1.584,399 0.675,400 0.934,402 1.758,403 0.593,404 1.167,405 0.336,406 2.661,407 0.641,408 -0.328,409 -0.443,411 -0.857,412 -0.302,413 0.519,414 -0.248,415 2.438,416 0.353,417 -0.583,418 -0.66,420 -1.386,421 -0.551,422 0.208,423 -0.36,424 1.798,425 -0.093,426 -1,427 -1,428 -2.347,429 -0.846,430 0.091,431 -0.681,432 1.555,433 -0.149,434 -1,435 -1.073,436 -2.487,437 -0.888,439 -0.883,440 1.544,441 -0.262,442 -1.285,443 -1.691,445 -3.391,446 -1.305,447 -0.125,448 -1.411,449 1.312,450 -0.693,451 -1.606,452 -2,454 -4.789,455 -1.335,456 -0.469,457 -1.618,458 1.065,459 -0.885,460 -1.791,461 -2.004,462 -0.299,463 -5.016,464 -1.687,465 7.733,466 0.483,467 0.329,468 0.021,469 18.5,470 1.156,471 7.5,472 0.469,473 11,474 0.688,475 11.536,476 0.721,477 17.467,478 0.647,479 10.706,480 0.669,481 3.636,482 0.227,483 4.207,484 0.263,485 0.043,487 0.31,493 0.785,494 1.283,495 0.663,496 0.977,497 0.545,498 0.9,499 1.16,500 0.955,501 0.923,502 0.849,503 0.679,504 0.816,505 1.244,506 0.902,507 0.898,508 0.896,509 0.993,510 0.858,511 0.911,512 1.009,513 0.824,514 0.909,515 0.828,516 1.03,517 0.899,518 0.879,519 0.697,520 0.74,521 1.076,522 0.93,523 1.059,524 0.896,525 0.892,526 0.874,527 1.759,528 1.073,529 0.931,530 1.241,531 1.858,532 1.629,533 1.619,534 1.48,535 0.674,536 1.323,537 2.091,538 2.024,539 0.284,540 1.347,541 2.5,543 1.778,544 0.813,545 0.796,546 0.392,547 0.152,548 0.075,549 0.01,551 2007,552 6232,553 2.174,554 40.7,556 10,557 1,564 1.553,565 2.087,566 2.733,567 -0.673,571 1,573 47.52,574 1.76,575 3.542,576 4.014,577 4.014,578 4.014,579 4.014,580 2.18,581 3.625,582 3.977,583 2.791,584 334.945,585 6.701,586 2814.41,588 1,590 1,591 128.382,592 1.198,593 3.954,594 0.139,596 0.071,597 0.035,598 0.042,599 0.028,600 0.013,601 0.011,602 0.005,604 0.343,605 0.67,606 1,607 0.5,608 63.113,609 -0.053,610 -0.221,611 0.077,612 -0.052,613 -0.016,614 -0.019,615 -0.153,616 0.112,617 -0.022,618 0.093,619 -0.017,620 0.068,621 -0.13,622 0.096,623 0.03,624 0.012,625 -0.069,626 0.052,627 0.081,628 -0.099,629 -0.039,630 -0.068,631 0.142,632 -0.096,633 0.046,634 -0.006,635 0.074,636 0.056,637 -0.079,638 0.041,639 -0.153,640 0.001,641 -0.044,642 0.023,643 -0.266,644 -0.098,645 0.034,646 -0.264,647 -0.43,648 -0.328,649 -0.096,650 -0.425,651 0.1,652 -0.34,653 -0.218,654 -0.485,655 0.104,656 -0.127,657 1.627,658 4.796,659 0.938,660 8.188,661 1.021,662 1.116,663 0.772,664 0.596,665 0.697,666 2.944,667 3.258,668 3.555,669 3.829,670 3.989,671 4.025,672 4.111,673 4.127,674 3.97,675 3.807,676 3.96,677 0.666,678 237.3,679 2.944,680 4.466,681 5.323,682 6.201,683 7.074,684 7.958,685 8.838,686 9.724,687 10.607,688 11.495,689 3.7,692 1,704 2,708 1,709 2,711 5,716 1,729 1,731 27,733 7,735 18,737 29,738 11,739 4,742 3,746 3,747 4,761 7,762 4,766 2,771 1,773 1,775 2,778 1,781 11,782 4,784 5,785 1,790 1,794 0.667,795 3,811 1,812 2,815 1,831 1,836 1,839 1,840 2,842 1,848 16,854 4,856 2,859 1,865 1,870 11.1,873 1,874 1,875 1,877 7.667,878 4.867,879 3.5,880 1.625,881 1.375,882 1.219,883 0.993,884 2.692,885 7.659,886 3.157,887 3.67,888 4.21,889 4.726,890 4.975,891 5.272,892 5.499,893 5.697,894 5.611,895 5.394,896 1,897 23,898 5.936,900 2.567,901 7.781,902 11.378,904 9.467,905 2.281,906 36.5,907 0.003,910 129.482,911 87.825,912 3.124,914 47.145,916 31.278,917 56.548,918 176.627,919 3.124,921 13.396,922 26.602,923 41.278,924 24.182,925 13.13,926 148.989,928 129.482,929 59.672,930 47.145,931 31.278,933 129.482,934 36.145,935 11,937 16.52,938 33.675,939 9.476,940 31.278,941 129.482,942 50.269,943 87.825,946 129.482,947 61.224,948 29.726,950 47.145,951 129.482,952 50.269,953 87.825,955 0.577,956 0.345,957 0.194,958 0.099,959 14,960 5,961 0.034,962 1,963 1,964 1.133,965 2.903,966 112.973,967 0.133,968 15,969 60,970 1,974 10.294,975 4.184,976 1.905,978 50.269,979 3.712,983 1.42,984 1.371,987 267.576,988 22.5,993 11.796,995 1.574,997 0.692,999 27.578,1000 30.123,1001 0.37,1002 0.745,1003 0.844,1004 0.844,1005 0.844,1006 0.844,1007 4.398,1008 0.675,1009 5.293,1010 2.136,1011 3.932,1012 4.35,1013 1.724,1014 6.103,1015 3.767,1016 5.564,1017 -0.328,1018 6.845,1019 1.758,1020 3.434,1021 4.06,1022 0.325,1023 6.986,1024 3.254,1025 6.857,1026 -0.583,1027 8.502,1028 -0.857,1029 5.509,1030 6.423,1031 1.676,1032 10.109,1033 5.207,1034 8.187,1035 -1,1036 10.222,1037 -1.386,1038 5.889,1039 7.05,1040 0.424,1041 11.842,1042 5.554,1043 9.556,1044 -1,1045 11.983,1046 -2.347,1047 7.396,1048 8.828,1049 1.733,1050 14.449,1051 6.963,1052 10.951,1053 -1.285,1054 13.771,1055 -2.487,1056 8.177,1057 9.871,1058 0.581,1059 16.512,1060 7.698,1061 12.365,1062 -1.606,1063 15.577,1064 -3.391,1065 9.451,1066 11.415,1067 1.843,1068 18.938,1069 8.89,1070 3.108,1071 -1.791,1072 17.396,1073 -4.789,1074 10.417,1075 12.649,1076 0.788,1077 21.139,1078 9.802,1079 2.689,1080 10.26,1081 19.224,1082 -5.016,1083 11.596,1084 14.099,1085 1.986,1086 23.497,1087 10.91,1088 2,1089 8.763,1090 21.06,1091 4.041,1092 12.647,1093 15.421,1094 1.027,1095 25.759,1096 11.902,1097 1.819,1098 5.765,1099 22.901,1100 3.198,1101 13.789,1102 16.834,1103 2.153,1104 28.09,1105 12.978,1106 1.265,1107 4.665,1108 24.746,1109 2.568,1110 14.878,1111 18.195,1112 1.284,1113 30.382,1114 14.008,1115 1,1116 2.91,1117 26.594,1118 1.999,1119 16.007,1120 19.595,1121 2.337,1122 32.705,1123 15.074,1124 1,1125 2.332,1126 28.445,1127 1.584,1128 17.115,1129 20.974,1130 1.553,1131 35.011,1132 16.122,1133 1941,1134 3514,1135 12.425,1136 18.824,1137 27.496,1138 28.165,1139 27.388,1140 27.072,1141 27.113,1142 33.135,1143 5.281,1144 77.177,1145 24.763,1146 5.444,1147 5.567,1148 6.327,1149 5.181,1150 5.108,1151 6.71,1152 2.22,1153 17.148,1154 4.848,1155 4.356,1156 1.528,1157 1.565,1158 1.522,1159 1.504,1160 1.506,1161 1.841,1162 0.293,1163 4.288,1164 1.376,1165 3.974,1166 3.977,1167 4.252,1168 3.951,1169 7.428,1170 3.897,1171 3.744,1172 3.784,1173 3.707,1174 3.568,1175 4.857,1176 3.57,1177 3.358,1178 3.377,1179 3.37,1180 3.236,1181 4.607,1182 3.231,1183 3.111,1184 3.206,1185 2.91,1186 2.941,1187 4.266,1188 2.91,1189 2.918,1190 2.933,1191 2.866,1192 2.626,1193 3.679,1194 2.666,1195 2.586,1196 2.612,1197 2.667,1198 2.347,1199 3.474,1200 2.3,1201 2.353,1202 2.404,1203 2.298,1204 2.203,1205 3.441,1206 2.188,1207 2.094,1208 2.271,1209 2.153,1210 1.924,1211 3,1212 1.883,1213 0.247,1214 0.201,1215 0.363,1216 0.225,1217 0.173,1218 4.444,1219 0.225,1220 3.619,1221 0.063,1222 6.526,1223 0.57,1224 4.045,1225 0.162,1226 3.108,1227 4.041,1228 1.138,1229 10.26,1230 2.916,1231 1.781,1232 1.759,1233 1.936,1234 1.994,1235 1.206,1236 1.977,1237 1.585,1238 1.557,1239 1.701,1240 1.767,1241 0.825,1242 1.748,1243 1.389,1244 1.378,1245 1.513,1246 1.458,1247 0.818,1248 1.508,1249 1.153,1250 1.064,1251 1.468,1252 1.376,1253 0.615,1254 1.429,1255 1.003,1256 0.992,1257 1.079,1258 1.153,1259 0.347,1260 1.156,1261 0.646,1262 0.598,1263 0.907,1264 0.898,1265 0.151,1266 0.951,1267 0.336,1268 0.325,1269 0.785,1270 0.744,1272 0.66,1273 0.172,1274 0.002,1275 0.488,1276 0.563,1278 0.65,1279 3.611,1281 4.92,1282 2.398,1283 6.438,1284 4.595,1285 8.051,1286 6.605,1287 9.714,1295 2.925,1297 10.967,1300 2.044,1305 17.987,1306 47.52,1307 95.627,1308 108.382,1309 108.382,1310 108.382,1311 108.382,1312 20.092,1313 6.284,1314 42.68,1315 70.92,1316 17,1317 12.026,1318 3,1319 2.459,1320 21.748,1321 38,1322 34,1323 0.296,1324 112.31,1325 196.2,1326 265.797,1327 3615,1329 10.958,1330 0.685,1331 0.591,1332 11.311,1333 9.457,1334 7.843,1335 0.436,1336 0.337,1337 5.152,1338 6.947,1339 5.01,1340 4.056,1341 8.297,1342 6.065,1343 6.962,1344 0.278,1345 0.183,1346 7.519,1347 4.578,1348 6.045,1349 0.178,1350 0.105,1351 6.784,1352 3.555,1353 5.235,1354 0.116,1355 0.057,1356 5.958,1357 2.546,1358 3.944,1359 0.074,1360 0.028,1361 4.429,1362 1.498,1363 0.438,1364 54.57,1365 0.284,1366 15.869,1367 0.884,1368 86,1369 297.712,1370 119.997,1371 292.311,1372 394.79,1373 276,1374 102,1375 268.762,1376 135.397,1377 278.74,1378 414.53,1379 263,1380 5.145}
{0 CHEMBL2322247,1 1.689,2 8.565,3 2.549,4 6.498,5 92.199,6 8.421,7 0.423,8 3.802,9 3.893,10 3.528,11 3.397,12 4.916,13 3.37,14 4.337,15 4.467,16 3.904,17 3.796,18 5.423,19 3.753,20 4.551,21 4.716,22 3.988,23 3.878,24 5.624,25 3.824,26 4.544,27 4.723,28 3.877,29 3.857,30 5.642,31 3.77,32 4.5,33 4.689,34 3.802,35 3.783,36 5.53,37 3.691,38 4.381,39 4.538,40 3.809,41 3.729,42 5.556,43 3.646,44 4.324,45 4.47,46 3.56,47 3.636,48 5.504,49 3.508,50 4.12,51 4.307,52 3.279,53 3.389,54 5.231,55 3.252,56 0.06,57 0.557,58 7.171,59 3.753,60 7.937,61 4.144,62 0.261,63 0.921,64 15.647,65 6.613,66 16.968,67 7.159,68 0.401,69 1.105,70 21.393,71 8.079,72 28.671,73 8.971,74 0.409,75 1.067,76 21.556,77 8.758,78 36.558,79 10.231,80 0.421,81 1.028,82 22.961,83 8.459,84 33.785,85 9.745,86 0.31,87 0.933,88 18.571,89 7.288,90 37.151,91 8.017,92 0.411,93 0.888,94 22.663,95 7.862,96 44.47,97 7.679,98 0.209,99 0.738,100 16.938,101 6.231,102 27.749,103 7.175,104 5,105 37,106 0.3,107 0.686,108 0.802,109 0.839,110 0.839,111 0.839,112 3.19,113 0.962,114 -2.8,115 -2.81,116 -2.72,119 43.6,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,163 1,164 1,165 1,172 5,174 1,175 4,180 2,183 7,185 2,186 1,187 3,192 2,195 5,197 2,198 2,199 4,204 2,207 4,209 2,211 1,212 5,220 2,224 5,226 1,227 1,229 1,232 3,234 1,236 1,237 3,245 1,250 4,252 2,253 2,255 1,258 1,260 1,263 2,275 692,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 14.182,282 16.421,283 9.32,284 16.316,285 12.864,286 12.864,287 12.864,288 12.864,289 12.864,290 10.324,291 18.875,292 4.451,293 13.714,294 3.596,295 1.423,296 0.769,297 0.564,298 0.564,299 0.564,300 3.889,303 1,304 1,305 1,306 435,307 2,310 45.303,311 182.971,314 82.075,318 1.285,319 23.574,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 197,332 4.593,333 3.648,334 6.824,335 4.196,336 3.245,337 4.286,338 1.138,339 11.306,340 3.088,341 4.133,342 3.179,343 6.17,344 3.773,345 2.819,346 3.656,347 0.86,348 9.145,349 2.714,350 3.893,351 3.044,352 5.972,353 3.554,354 2.605,355 3.242,356 0.643,357 8.365,358 2.434,359 3.593,360 2.592,361 5.233,362 3.234,363 2.242,364 2.849,366 6.365,367 2.214,368 3.148,369 2.363,370 4.816,371 2.734,372 1.82,373 2.324,375 5.107,376 1.705,377 2.977,378 2.061,379 4.537,380 2.699,381 1.748,382 1.999,384 4.67,385 1.594,386 2.695,387 1.754,388 4.033,389 2.223,390 1.273,391 1.772,393 3.091,394 1.216,395 2.565,396 1.312,397 3.754,398 2.083,399 1.222,400 1.578,402 2.897,403 1.027,404 2.373,405 1.256,406 3.472,407 1.952,408 1,409 1.304,411 2.477,412 0.946,413 2.173,414 1.256,415 3.442,416 1.931,417 1,418 1.039,420 2.136,421 0.918,422 2,423 1.015,424 3.247,425 1.667,426 0.779,427 1,428 2.088,429 0.669,430 1.236,431 0.416,432 2.703,433 0.7,434 -0.248,435 -0.326,436 -0.64,437 -0.224,438 0.94,439 -0.196,440 2.635,441 0.562,442 -0.405,443 -0.513,445 -0.918,446 -0.389,447 0.722,448 -0.251,449 2.338,450 0.427,451 -0.533,452 -0.646,454 -1.339,455 -0.514,456 0.514,457 -0.36,458 2,459 0.225,460 -0.734,461 -0.842,463 -1.945,464 -0.691,465 11.133,466 0.484,467 0.538,468 0.023,469 29.25,470 1.272,471 14,472 0.609,473 15.25,474 0.663,475 17.928,476 0.779,477 24.267,478 0.622,479 20.148,480 0.876,481 5.747,482 0.25,483 5.474,484 0.238,485 0.066,487 0.35,493 0.838,494 1.099,495 0.701,496 0.892,497 0.71,498 0.832,499 1.11,500 0.957,501 0.896,502 0.869,503 0.663,504 0.828,505 1.158,506 0.939,507 0.85,508 0.91,509 0.976,510 0.906,511 0.891,512 0.97,513 0.864,514 0.936,515 0.771,516 0.961,517 1.015,518 0.972,519 0.972,520 0.959,521 0.943,522 0.917,523 1.159,524 1.059,525 1.033,526 1.042,527 1.616,528 1.01,529 1.373,530 1.251,531 1.876,532 1.533,533 1.894,534 1.318,535 0.62,536 1.338,537 1.393,538 1.564,539 0.732,540 1.407,541 4,542 0.033,543 2.667,544 1.41,545 1.228,546 0.854,547 0.532,548 0.245,549 0.108,550 0.063,551 5497,552 15441,553 2.168,554 41,556 13,557 1,559 2,564 1.662,565 2.06,566 3.122,567 0.321,568 1,569 1,571 1,573 65.889,574 1.689,575 3.862,576 4.516,577 4.721,578 4.721,579 4.721,580 2.512,581 4.143,582 4.495,583 3.217,584 813.968,585 7.764,586 8936.32,587 1,588 1,590 1,591 206.131,592 1.302,593 4.469,594 0.154,595 0.005,596 0.072,597 0.038,598 0.036,599 0.028,600 0.018,601 0.011,602 0.006,603 0.006,604 0.374,605 0.5,606 1,607 0.503,608 105.489,609 -0.074,610 -0.022,611 0.061,612 0.033,613 -0.089,614 0.046,615 -0.1,616 0.092,617 0.002,618 0.092,620 0.074,621 -0.076,622 0.069,623 0.054,624 0.019,625 -0.079,626 0.016,627 0.091,628 -0.026,629 0.057,630 0.024,631 0.106,632 0.013,633 0.015,634 -0.022,635 0.047,636 0.051,637 -0.031,638 0.073,639 -0.083,640 -0.067,641 -0.015,642 -0.022,643 -0.109,644 -0.06,645 -0.174,646 -0.214,647 -0.522,648 -0.301,649 -0.195,650 -0.344,651 0.121,652 -0.335,653 -0.276,654 -0.479,655 0.169,656 -0.4,657 1.673,658 5.422,659 0.913,660 16.968,661 1.011,662 1.114,663 1.569,664 2.463,665 0.701,666 3.296,667 3.638,668 3.951,669 4.263,670 4.511,671 4.635,672 4.796,673 4.934,674 4.977,675 5.03,676 5.174,677 0.668,678 328.42,679 3.296,680 4.844,681 5.714,682 6.608,683 7.497,684 8.4,685 9.299,686 10.207,687 11.111,688 12.022,689 5.1,692 1,693 1,704 5,708 1,709 5,711 11,716 1,722 1,729 1,731 39,733 13,734 1,735 26,737 42,738 17,739 10,740 2,741 4,742 3,746 4,747 5,761 13,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 16,782 5,783 2,784 6,785 1,790 2,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,848 23,849 1,854 4,856 2,859 1,865 1,870 7.7,873 1,874 1,875 1,877 11.167,878 6.95,879 4.972,880 2.278,881 2.493,882 1.338,883 1.027,884 3.929,885 9.862,886 3.541,887 4.123,888 4.715,889 5.303,890 5.771,891 6.135,892 6.524,893 6.916,894 7.178,895 7.446,896 0.833,897 37,898 8.525,900 3.72,901 7.739,902 16.323,904 13.745,905 2.239,906 51.5,910 164.795,911 125.382,912 36.022,914 47.145,916 31.278,917 94.104,918 211.94,919 36.022,921 13.396,922 87.927,923 41.278,924 33.31,925 13.13,926 184.302,928 164.795,929 130.126,930 47.145,931 31.278,933 164.795,934 36.145,935 11,937 16.52,938 104.129,939 9.476,940 31.278,941 164.795,942 83.166,943 125.382,946 164.795,947 70.352,948 58.155,950 80.042,951 164.795,952 83.166,953 125.382,955 0.584,956 0.345,957 0.195,958 0.109,959 20,960 8,961 0.048,962 2,963 1,964 1.095,965 3.518,966 195.287,967 0.095,968 21,969 100.042,970 1,974 14.876,975 6.075,976 2.801,978 83.166,979 9.557,983 1.406,984 3.825,986 32.897,987 373.344,988 33.5,993 12.422,995 1.577,997 0.599,999 39.447,1000 43.451,1001 0.32,1002 0.731,1003 0.854,1004 0.893,1005 0.893,1006 0.893,1007 4.794,1008 1.222,1009 5.7,1010 3.091,1011 4.317,1012 4.808,1013 1.724,1014 6.538,1015 4.202,1016 5.992,1017 1,1018 7.27,1019 2.897,1020 3.892,1021 4.59,1022 0.325,1023 7.476,1024 3.768,1025 7.302,1026 1,1027 8.943,1028 2.477,1029 5.927,1030 6.965,1031 1.676,1032 10.619,1033 5.722,1034 8.648,1035 0.779,1036 10.678,1037 2.136,1038 6.347,1039 7.608,1040 0.424,1041 12.414,1042 6.119,1043 10.03,1044 -0.248,1045 12.453,1046 2.088,1047 7.843,1048 9.438,1049 1.733,1050 15.068,1051 7.55,1052 11.437,1053 -0.405,1054 14.256,1055 -0.64,1056 8.655,1057 10.486,1058 0.581,1059 17.212,1060 8.325,1061 12.863,1062 -0.533,1063 16.08,1064 -0.918,1065 9.935,1066 12.09,1067 1.843,1068 19.702,1069 9.549,1070 3.245,1071 -0.734,1072 17.918,1073 -1.339,1074 10.932,1075 13.336,1076 0.788,1077 21.996,1078 10.5,1079 2.819,1080 11.306,1081 19.768,1082 -1.945,1083 12.127,1084 14.844,1085 1.986,1086 24.432,1087 11.645,1088 2.605,1089 9.145,1090 21.628,1091 4.286,1092 13.21,1093 16.189,1094 1.027,1095 26.793,1096 12.678,1097 2.242,1098 8.365,1099 23.495,1100 3.656,1101 14.377,1102 17.658,1103 2.153,1104 29.213,1105 13.796,1106 1.82,1107 6.365,1108 25.369,1109 3.242,1110 15.502,1111 19.053,1112 1.284,1113 31.605,1114 14.869,1115 1.748,1116 5.107,1117 27.248,1118 2.849,1119 16.661,1120 20.507,1121 2.337,1122 34.022,1123 15.98,1124 1.273,1125 4.67,1126 29.131,1127 2.324,1128 17.806,1129 21.927,1130 1.553,1131 36.429,1132 17.074,1133 5189,1134 8817,1135 17.8,1136 27.352,1137 39.939,1138 40.924,1139 40.383,1140 39.447,1141 39.507,1142 50.097,1143 5.281,1144 115.294,1145 37.05,1146 5.593,1147 5.648,1148 6.626,1149 5.334,1150 5.245,1151 7.286,1152 2.22,1153 18.683,1154 5.088,1155 8.288,1156 1.536,1157 1.574,1158 1.553,1159 1.517,1160 1.519,1161 1.927,1162 0.203,1163 4.434,1164 1.425,1165 4.043,1166 4.049,1167 4.276,1168 4.027,1169 7.428,1170 3.991,1171 3.84,1172 3.877,1173 3.804,1174 3.749,1175 5.116,1176 3.737,1177 3.717,1178 3.745,1179 3.706,1180 3.563,1181 4.844,1182 3.56,1183 3.349,1184 3.368,1185 3.37,1186 3.235,1187 4.612,1188 3.231,1189 3.111,1190 3.206,1191 2.998,1192 2.941,1193 4.477,1194 2.91,1195 3.032,1196 3.132,1197 2.866,1198 2.831,1199 4.195,1200 2.826,1201 2.928,1202 2.947,1203 2.848,1204 2.766,1205 3.68,1206 2.745,1207 2.746,1208 2.8,1209 2.741,1210 2.52,1211 3.578,1212 2.556,1213 0.177,1214 0.14,1215 0.262,1216 0.161,1217 0.125,1218 4.593,1219 0.165,1220 3.648,1221 0.044,1222 6.824,1223 0.435,1224 4.196,1225 0.119,1226 3.245,1227 4.286,1228 1.138,1229 11.306,1230 3.088,1231 1.922,1232 1.901,1233 2.018,1234 2.016,1235 1.207,1236 2.014,1237 1.771,1238 1.745,1239 1.933,1240 1.973,1241 1.119,1242 1.967,1243 1.575,1244 1.551,1245 1.669,1246 1.75,1247 0.825,1248 1.731,1249 1.351,1250 1.342,1251 1.513,1252 1.43,1253 0.802,1254 1.458,1255 1.153,1256 1.064,1257 1.408,1258 1.376,1259 0.594,1260 1.429,1261 1.015,1262 1.003,1263 1.267,1264 1.263,1265 0.349,1266 1.283,1267 0.975,1268 0.896,1269 1.079,1270 1.152,1271 0.189,1272 1.156,1273 0.697,1274 0.637,1275 0.987,1276 0.92,1277 0.156,1278 0.979,1279 3.97,1281 5.303,1282 2.398,1283 6.841,1284 4.727,1285 8.47,1286 6.862,1287 10.148,1293 5.874,1295 2.749,1297 11.444,1300 2.047,1305 26.062,1306 65.889,1307 150.621,1308 176.131,1309 184.131,1310 184.131,1311 184.131,1312 33.653,1313 7.368,1314 68.7,1315 96.94,1316 23,1317 12.538,1318 3.807,1319 3.087,1320 31.682,1321 70,1322 70,1323 0.224,1324 160.483,1325 279.82,1326 383.339,1327 14654,1329 15.811,1330 0.687,1331 0.577,1332 16.165,1333 13.267,1334 11.22,1335 0.432,1336 0.321,1337 7.42,1338 10.315,1339 7.216,1340 5.892,1341 11.674,1342 8.341,1343 10.208,1344 0.276,1345 0.172,1346 10.732,1347 6.361,1348 8.813,1349 0.173,1350 0.097,1351 9.582,1352 4.927,1353 7.73,1354 0.11,1355 0.053,1356 8.581,1357 3.688,1358 6.254,1359 0.069,1360 0.027,1361 6.968,1362 2.472,1363 0.339,1364 75.121,1365 0.237,1366 22.124,1367 0.651,1368 126,1369 383.024,1370 161.024,1371 382.612,1372 524.32,1373 360,1374 151,1375 370.607,1376 187.232,1377 386.37,1378 573.37,1379 364,1380 6.812}
{0 CHEMBL2322331,1 1.775,2 10.172,3 4.415,4 19.488,5 103.562,6 8.129,7 0.5,8 4.044,9 4.157,10 3.669,11 3.511,12 5.194,13 3.532,14 4.629,15 4.8,16 4.139,17 3.906,18 6.171,19 3.923,20 4.793,21 4.976,22 4.151,23 4.072,24 5.971,25 4.059,26 4.932,27 5.139,28 4.153,29 4.124,30 6.159,31 4.086,32 4.997,33 5.246,34 4.08,35 4.062,36 6.175,37 4.022,38 4.864,39 5.065,40 4.002,41 3.986,42 6.069,43 3.966,44 4.842,45 5.069,46 3.978,47 3.946,48 5.978,49 3.911,50 4.813,51 5.05,52 3.991,53 3.838,54 6.183,55 3.795,56 0.2,57 0.958,58 9.013,59 4.663,60 26.895,61 5.411,62 1.045,63 1.835,64 20.928,65 7.512,66 144.319,67 9.284,68 0.679,69 1.742,70 23.706,71 8.901,72 53.445,73 11.344,74 0.791,75 2.01,76 28.636,77 10.683,78 72.249,79 13.448,80 1.126,81 1.934,82 35.872,83 11.248,84 139.351,85 14.263,86 1.019,87 1.64,88 28.722,89 8.99,90 125.193,91 10.822,92 0.867,93 1.581,94 27.892,95 8.288,96 76.778,97 11.452,98 1.085,99 1.669,100 28.63,101 8.828,102 91.807,103 12.284,104 38,105 48,106 0.299,107 0.619,108 0.775,109 0.823,110 0.829,111 0.829,112 3.409,113 0.874,114 -5.49,115 -5.37,116 -5.01,119 40,120 2,121 1,125 4,132 1,142 4,143 4,146 1,147 1,153 1,161 1,166 1,172 9,174 2,175 7,178 1,180 1,183 12,186 2,187 5,190 1,195 11,198 1,199 5,202 2,204 1,207 7,211 2,212 8,217 2,220 5,224 11,229 1,232 4,236 1,237 6,240 1,242 2,245 3,249 1,250 4,255 3,258 3,263 3,268 1,271 1,275 1320,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.003,282 24.489,283 10.831,284 19.691,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 12.758,291 31.632,292 5.135,293 17.023,294 3.869,295 1.975,296 1.045,297 0.765,298 0.725,299 0.725,300 4.098,304 1,305 1,306 633,307 3.464,310 61.673,311 252.88,314 113.105,318 1.57,319 50.258,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 66.5,331 295,332 4.707,333 4.472,334 7.265,335 4.297,336 3.396,337 4.674,338 3.825,339 12.293,340 3.156,341 4.571,342 3.418,343 6.849,344 4.206,345 3.267,346 4.117,347 0.86,348 11.388,349 3.044,350 4.038,351 3.122,352 6.161,353 3.742,354 2.808,355 3.458,356 0.8,357 9.101,358 2.612,359 3.896,360 2.976,361 6.054,362 3.585,363 2.656,364 3.152,365 0.68,366 8.599,367 2.416,368 3.674,369 2.64,370 5.795,371 3.293,372 2.356,373 3.011,375 7.602,376 2.187,377 3.191,378 2.284,379 4.985,380 2.78,381 1.861,382 2.434,384 5.368,385 1.707,386 2.96,387 2.033,388 4.781,389 2.621,390 1.691,391 2.081,393 4.918,394 1.566,395 2.916,396 1.915,397 4.54,398 2.555,399 1.616,400 2.018,402 4.541,403 1.48,404 2.854,405 1.516,406 4.157,407 2.414,408 1.414,409 1.975,411 3.34,412 1.414,413 2.515,414 1.507,415 3.875,416 2.15,417 1.223,418 1.519,420 3.169,421 1.124,422 2.203,423 1.365,424 3.53,425 1.952,426 1.031,427 1.175,428 2.625,429 0.946,430 2,431 1.256,432 3.247,433 1.936,434 1,435 1,436 2.136,437 0.924,438 1.558,439 0.7,440 3.23,441 1.297,442 0.325,443 0.386,445 0.863,446 0.314,447 1.214,448 0.51,449 2.879,450 0.91,451 -0.053,452 -0.062,454 -0.131,455 -0.05,456 0.939,457 0.51,458 2.709,459 0.543,460 -0.413,461 -0.533,463 -1.099,464 -0.39,465 13.124,466 0.453,467 1.005,468 0.035,469 34.5,470 1.19,471 15,472 0.517,473 19.5,474 0.672,475 27.514,476 0.949,477 33.076,478 0.662,479 28.971,480 0.999,481 7,482 0.241,483 6.753,484 0.233,485 0.167,486 0.038,487 0.366,490 3,493 0.652,494 1.1,495 0.67,496 1.17,497 0.636,498 0.996,499 0.581,500 0.783,501 0.669,502 0.87,503 0.37,504 0.821,505 0.714,506 0.921,507 0.863,508 1,509 0.545,510 0.989,511 0.793,512 1.09,513 1.001,514 1.197,515 0.779,516 1.178,517 1.041,518 1,519 0.977,520 0.919,521 1.106,522 0.912,523 1.26,524 1.002,525 1.241,526 1.012,527 1.225,528 1.087,529 0.773,530 0.858,531 0.994,532 0.965,533 0.647,534 1.018,535 0.628,536 0.784,537 0.835,538 1.075,539 0.704,540 1.064,541 7,542 0.169,543 4.222,544 2.889,545 1.987,546 1.306,547 0.755,548 0.69,549 0.402,550 0.274,551 9877,552 33466,553 2.041,554 42,555 5,556 12,559 1,560 3,564 1.724,565 1.861,566 3.324,567 -0.268,569 1,573 88.761,574 1.775,575 3.669,576 4.599,577 4.879,578 4.919,579 4.919,580 2.76,581 4.418,582 4.831,583 3.487,584 1415.53,585 8.438,586 18537.2,588 1,590 1,591 282.193,592 1.694,593 4.757,594 0.219,595 0.008,596 0.088,597 0.058,598 0.042,599 0.03,600 0.018,601 0.018,602 0.011,603 0.011,604 0.503,605 0.33,606 0.88,607 0.805,608 145.065,609 -0.036,610 -0.115,611 0.039,612 -0.07,613 -0.093,614 -0.012,615 0.292,616 0.226,617 0.2,618 0.139,619 0.404,620 0.13,621 -0.047,622 -0.066,623 -0.036,624 -0.01,625 0.01,626 -0.018,627 -0.041,628 -0.138,629 -0.12,630 -0.197,631 -0.013,632 -0.19,633 -0.101,634 -0.014,635 0.024,636 0.06,637 -0.112,638 0.091,639 -0.278,640 -0.059,641 -0.304,642 -0.049,643 -0.233,644 -0.148,645 -0.06,646 -0.093,647 -0.083,648 -0.06,649 -0.028,650 -0.064,651 0.275,652 0.126,653 0.151,654 -0.122,655 0.18,656 -0.078,657 5.656,658 5.274,659 0.724,660 24.535,661 1.029,662 1.152,663 4.264,664 18.178,665 0.647,666 3.497,667 3.892,668 4.174,669 4.466,670 4.7,671 4.796,672 4.99,673 5.153,674 5.22,675 5.313,676 6.177,677 0.639,678 406.45,679 3.497,680 5.081,681 5.953,682 6.868,683 7.76,684 8.677,685 9.578,686 10.495,687 11.401,688 12.32,689 8,695 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,726 1,728 1,731 50,733 16,734 1,735 32,737 53,738 20,739 12,740 3,741 3,746 4,747 5,752 3,757 1,758 1,761 12,762 8,778 1,779 3,781 21,782 8,783 1,784 9,790 4,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 29,853 1,854 5,856 1,859 1,860 1,869 3,870 4,872 1,874 1,877 15.583,878 9.679,879 6.111,880 2.982,881 3.194,882 1.408,883 0.975,884 5.176,885 11.021,886 3.714,887 4.379,888 4.998,889 5.625,890 6.174,891 6.533,892 6.983,893 7.414,894 7.662,895 7.983,896 0.857,897 50,898 11.218,900 5.314,901 8.175,902 19.989,904 16.663,905 2.675,906 77.583,908 1,909 1,910 235.422,911 98.788,912 37.737,914 53.683,915 44.88,917 98.788,918 289.105,919 82.617,920 17.65,921 15.931,922 37.905,923 88.847,924 64.668,925 2.328,926 235.422,927 7.76,928 235.422,929 136.525,930 98.564,933 235.422,934 87.564,935 11,937 46.977,938 56.1,939 33.449,941 280.302,942 91.42,943 98.788,946 243.182,947 35.473,948 59.844,950 132.012,951 235.422,952 136.3,953 98.788,955 0.603,956 0.351,957 0.189,958 0.102,959 25,960 12,961 0.057,962 3,963 1,964 1.095,965 3.859,966 269.329,967 0.095,968 21,969 132.127,974 19.994,975 7.508,976 3.792,977 0.445,978 135.136,979 5.724,980 9.001,984 1.936,986 42.683,987 470.51,988 40,999 51.436,1000 57.583,1001 0.315,1002 0.65,1003 0.815,1004 0.864,1005 0.871,1006 0.871,1007 5.004,1008 1.616,1009 6.004,1010 4.918,1011 4.575,1012 5.066,1013 3.187,1014 6.905,1015 4.438,1016 6.256,1017 1.414,1018 7.63,1019 4.541,1020 4.443,1021 5.112,1022 3.911,1023 8.109,1024 4.167,1025 7.609,1026 1.223,1027 9.365,1028 3.34,1029 6.301,1030 7.358,1031 5.429,1032 11.183,1033 6.026,1034 9,1035 1.031,1036 11.163,1037 3.169,1038 6.948,1039 8.202,1040 6.69,1041 13.166,1042 6.544,1043 10.423,1044 1,1045 13.001,1046 2.625,1047 8.36,1048 9.996,1049 8.058,1050 15.829,1051 7.934,1052 11.869,1053 0.325,1054 14.865,1055 2.136,1056 9.329,1057 11.202,1058 9.389,1059 18.109,1060 8.796,1061 13.333,1062 -0.053,1063 16.749,1064 0.863,1065 10.59,1066 12.824,1067 10.734,1068 20.645,1069 10.013,1070 3.396,1071 -0.413,1072 18.647,1073 -0.131,1074 11.692,1075 14.2,1076 12.074,1077 23.045,1078 11.025,1079 3.267,1080 12.293,1081 20.557,1082 -1.099,1083 12.904,1084 15.757,1085 13.416,1086 25.542,1087 12.18,1088 2.808,1089 11.388,1090 22.476,1091 4.674,1092 14.061,1093 17.212,1094 14.758,1095 27.992,1096 13.257,1097 2.656,1098 9.101,1099 24.403,1100 4.117,1101 15.261,1102 18.746,1103 16.1,1104 30.48,1105 14.391,1106 2.356,1107 8.599,1108 26.336,1109 3.458,1110 16.443,1111 20.239,1112 17.441,1113 32.952,1114 15.498,1115 1.861,1116 7.602,1117 28.275,1118 3.152,1119 17.641,1120 21.767,1121 18.783,1122 35.44,1123 16.628,1124 1.691,1125 5.368,1126 30.218,1127 3.011,1128 18.835,1129 23.279,1130 20.124,1131 37.922,1132 17.748,1133 9527,1134 17707,1135 20.69,1136 32.358,1137 49.668,1138 49.471,1139 50.941,1140 49.522,1141 49.288,1142 62,1143 12.331,1144 151.883,1145 45.784,1146 5.707,1147 6.472,1148 7.067,1149 5.4,1150 5.396,1151 7.674,1152 5.335,1153 20.015,1154 5.156,1155 16.803,1156 1.552,1157 1.546,1158 1.592,1159 1.548,1160 1.54,1161 1.938,1162 0.385,1163 4.746,1164 1.431,1165 4.139,1166 4.187,1167 4.118,1168 3.992,1169 8.513,1170 4.011,1171 3.943,1172 3.972,1173 3.907,1174 3.838,1175 7.999,1176 3.854,1177 3.76,1178 3.817,1179 3.656,1180 3.551,1181 7.999,1182 3.567,1183 3.452,1184 3.493,1185 3.395,1186 3.299,1187 6.473,1188 3.306,1189 3.325,1190 3.376,1191 3.292,1192 3.065,1193 5.036,1194 3.099,1195 3.173,1196 3.258,1197 2.988,1198 3.03,1199 4.673,1200 3.007,1201 3.111,1202 3.206,1203 2.913,1204 2.941,1205 4.63,1206 2.91,1207 3.049,1208 3.135,1209 2.866,1210 2.804,1211 4.368,1212 2.806,1213 0.147,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.707,1219 0.146,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.297,1225 0.099,1226 3.396,1227 4.674,1228 3.825,1229 12.293,1230 3.156,1231 1.969,1232 1.946,1233 2.067,1234 2.09,1235 1.276,1236 2.067,1237 1.846,1238 1.802,1239 1.956,1240 2.027,1241 1.208,1242 2.017,1243 1.633,1244 1.584,1245 1.802,1246 1.879,1247 0.984,1248 1.855,1249 1.568,1250 1.516,1251 1.745,1252 1.742,1253 0.825,1254 1.749,1255 1.21,1256 1.134,1257 1.553,1258 1.464,1259 0.814,1260 1.47,1261 1.187,1262 1.128,1263 1.513,1264 1.418,1265 0.626,1266 1.429,1267 1.153,1268 1.064,1269 1.458,1270 1.376,1271 0.597,1272 1.425,1273 0.991,1274 0.933,1275 1.129,1276 1.293,1277 0.255,1278 1.265,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.034,1287 10.46,1289 3.24,1291 39.822,1294 10.446,1295 2.685,1297 5.356,1300 2.005,1301 -4.406,1305 31.933,1306 88.761,1307 183.438,1308 229.928,1309 243.928,1310 245.928,1311 245.928,1312 65.738,1313 7.826,1314 62.89,1315 62.89,1316 23,1317 12.832,1318 4.087,1319 3.17,1320 44.513,1321 106,1322 108,1323 0.205,1324 191.316,1325 333.73,1326 458.571,1327 26396,1328 6,1329 20.759,1330 0.716,1331 0.556,1332 18.259,1333 16.123,1334 13.753,1335 0.43,1336 0.291,1337 9.111,1338 12.935,1339 8.909,1340 7.283,1341 12.542,1342 9.32,1343 13.57,1344 0.283,1345 0.149,1346 11.574,1347 7.136,1348 10.927,1349 0.171,1350 0.083,1351 10.222,1352 5.307,1353 9.376,1354 0.109,1355 0.043,1356 8.392,1357 3.673,1358 7.537,1359 0.069,1360 0.023,1361 6.969,1362 2.461,1363 0.315,1364 88.274,1365 0.22,1366 27.027,1367 0.584,1368 160,1369 658.799,1370 191.491,1371 548.213,1372 724.6,1373 510,1374 192,1375 519.171,1376 218.423,1377 501.68,1378 761.73,1379 471,1380 6.5}
{0 CHEMBL2322332,1 1.52,2 10.036,3 3.894,4 15.166,5 108.997,6 7.49,7 0.656,8 4.037,9 4.15,10 3.626,11 3.581,12 5.109,13 3.57,14 4.582,15 4.748,16 4.005,17 3.987,18 5.604,19 3.96,20 4.807,21 5.003,22 4.067,23 4.139,24 5.812,25 4.082,26 4.861,27 5.078,28 3.989,29 4.159,30 5.827,31 4.067,32 4.867,33 5.102,34 3.964,35 4.112,36 5.795,37 4.019,38 4.836,39 5.041,40 3.955,41 4.053,42 5.854,43 3.99,44 4.822,45 5.054,46 3.914,47 4.007,48 5.833,49 3.936,50 4.737,51 4.973,52 3.69,53 3.917,54 5.678,55 3.806,56 0.046,57 0.753,58 10.21,59 4.527,60 8.547,61 5.797,62 0.246,63 1.25,64 19.72,65 7.452,66 19.708,67 9.894,68 0.374,69 1.518,70 25.887,71 9.266,72 33.3,73 12.653,74 0.323,75 1.585,76 27.535,77 10.213,78 32.676,79 14.358,80 0.256,81 1.542,82 28.652,83 10.625,84 32.642,85 15.059,86 0.329,87 1.478,88 27.743,89 9.403,90 44.614,91 12.575,92 0.468,93 1.477,94 28.062,95 8.867,96 46.977,97 12.57,98 0.284,99 1.316,100 25.549,101 8.956,102 34.949,103 12.556,104 5,105 46,106 0.253,107 0.593,108 0.738,109 0.805,110 0.837,111 0.85,112 3.376,113 0.898,114 -5.18,115 -5.07,116 -4.75,119 44,120 1,121 1,125 4,142 8,143 4,146 1,147 1,153 1,161 1,166 1,172 13,174 2,175 7,178 1,180 1,183 18,186 2,187 5,190 1,195 18,198 1,199 5,202 2,204 1,207 14,211 2,212 8,217 2,220 10,224 11,229 1,232 5,236 1,237 12,240 1,242 2,245 5,249 1,250 7,255 3,258 4,263 5,268 3,271 3,275 1188,276 19.361,277 19.361,278 19.361,279 19.361,280 19.361,281 16.872,282 20.745,283 11.397,284 19.83,285 15.836,286 15.836,287 15.836,288 15.836,289 15.836,290 12.072,291 28.202,292 5.433,293 16.593,294 4.124,295 2.082,296 1.205,297 0.805,298 0.615,299 0.535,300 4.09,303 1,304 1,305 1,306 631,307 2.449,310 54.16,311 272.451,314 99.531,315 108.949,318 1.469,319 21.616,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 281,332 4.707,333 3.42,334 6.853,335 4.232,336 3.278,337 4.676,338 0.86,339 11.407,340 3.142,341 4.487,342 3.143,343 6.505,344 4.014,345 3.022,346 4.426,347 0.8,348 10.201,349 2.987,350 4.016,351 3.017,352 6.141,353 3.716,354 2.782,355 3.455,356 0.68,357 9.047,358 2.598,359 3.714,360 2.666,361 5.831,362 3.347,363 2.404,364 3.066,366 7.773,367 2.259,368 3.461,369 2.29,370 5.183,371 3.04,372 2.05,373 2.854,375 6.147,376 2.025,377 3.191,378 2.215,379 4.984,380 2.772,381 1.855,382 2.434,384 5.368,385 1.7,386 3.118,387 1.931,388 4.545,389 2.62,390 1.691,391 2.427,393 4.568,394 1.618,395 2.946,396 1.618,397 4.236,398 2.618,399 1.618,400 2.021,402 3.838,403 1.566,404 2.771,405 1.53,406 4.08,407 2.282,408 1.295,409 1.904,411 3.388,412 1.28,413 2.569,414 1.428,415 3.597,416 2.2,417 1.244,418 1.589,420 2.825,421 1.181,422 2.333,423 1.265,424 3.528,425 1.992,426 1.083,427 1.281,428 2.642,429 0.976,430 2.185,431 1.256,432 3.352,433 1.952,434 1,435 1.128,436 2.136,437 0.946,438 2,439 0.935,440 3.247,441 1.813,442 0.836,443 1,445 2.033,446 0.814,447 1.483,448 0.489,449 3.015,450 1.172,451 0.203,452 0.25,454 0.535,455 0.195,456 1.145,457 -0.034,458 2.719,459 0.733,460 -0.236,461 -0.312,463 -0.611,464 -0.227,465 13.267,466 0.474,467 0.64,468 0.023,469 37.75,470 1.348,471 19,472 0.679,473 18.75,474 0.67,475 22.958,476 0.82,477 29.333,478 0.587,479 27.396,480 0.978,481 7.471,482 0.267,483 6.233,484 0.223,485 0.063,487 0.362,493 0.865,494 1.258,495 0.765,496 1.054,497 0.907,498 0.925,499 1.033,500 1.08,501 0.856,502 0.91,503 0.715,504 0.868,505 1.046,506 1,507 0.994,508 0.908,509 0.907,510 0.933,511 0.725,512 1.021,513 1.052,514 1.062,515 0.82,516 1.085,517 0.686,518 1.029,519 0.886,520 1.017,521 0.795,522 0.981,523 1.537,524 1.162,525 1.141,526 1.029,527 1.949,528 1.032,529 1.15,530 1.009,531 1.045,532 0.893,533 1.215,534 0.929,535 1.024,536 1.032,537 1.137,538 1.1,539 0.989,540 1.12,541 4.5,542 0.049,543 3.333,544 2.014,545 1.631,546 1.042,547 0.634,548 0.445,549 0.288,550 0.14,551 9805,552 23398,553 2.2,554 44,555 2,556 16,559 1,560 3,564 1.715,565 2.1,566 3.307,567 -0.358,569 1,573 75.978,574 1.52,575 3.562,576 4.439,577 4.839,578 5.029,579 5.109,580 2.72,581 4.522,582 4.781,583 3.435,584 1298.37,585 8.337,586 16506.7,588 1,590 1,591 282.193,592 1.264,593 4.757,594 0.141,595 0.003,596 0.072,597 0.042,598 0.038,599 0.025,600 0.015,601 0.011,602 0.01,603 0.006,604 0.363,605 0.33,606 0.88,607 0.444,608 138.136,609 0.014,610 -0.116,611 0.072,612 -0.039,613 -0.077,614 0.008,615 0.022,616 0.022,617 0.06,618 0.062,619 0.025,620 0.059,621 -0.026,622 0.072,623 -0.052,624 0.053,625 0.001,626 0.004,627 0.041,628 0.03,629 -0.12,630 -0.09,631 0.014,632 -0.119,633 0.085,634 -0.037,635 0.074,636 -0.033,637 0.04,638 0.012,639 -0.235,640 -0.15,641 -0.149,642 -0.076,643 -0.28,644 -0.1,645 -0.005,646 0.03,647 -0.042,648 0.034,649 0.018,650 0.004,651 -0.062,652 -0.041,653 -0.154,654 -0.136,655 -0.03,656 -0.149,657 1.557,658 4.561,659 0.893,660 23,661 1,662 1.123,663 3.951,664 15.613,665 0.676,666 3.497,667 3.85,668 4.19,669 4.511,670 4.787,671 4.883,672 5.075,673 5.252,674 5.366,675 5.412,676 5.971,677 0.645,678 374.48,679 3.497,680 5.056,681 5.938,682 6.838,683 7.738,684 8.645,685 9.552,686 10.463,687 11.373,688 12.287,689 8,695 1,697 1,699 2,703 3,704 8,705 2,709 5,711 21,726 1,728 1,731 50,733 21,734 2,735 32,737 54,738 22,739 16,740 3,741 7,746 5,747 7,752 1,758 1,761 16,762 6,778 1,781 22,782 5,783 1,784 6,790 4,794 0.6,795 2,803 1,806 1,811 1,812 4,815 1,816 1,839 1,840 3,844 1,848 28,853 1,854 5,856 1,859 1,870 4,872 1,874 1,877 13.333,878 9.333,879 6.028,880 3.062,881 4.35,882 1.534,883 1.015,884 4.418,885 12.496,886 3.773,887 4.451,888 5.135,889 5.805,890 6.4,891 6.771,892 7.242,893 7.712,894 8.057,895 8.313,896 0.857,897 48,898 10.363,900 4.494,901 7.583,902 20.155,904 17.069,905 2.083,906 58.333,908 1,909 1,910 247.193,911 118.883,912 37.737,914 53.683,917 118.883,918 300.876,919 37.737,920 8.825,921 15.931,922 75.81,923 88.847,924 18.562,925 2.328,926 247.193,928 247.193,929 156.62,930 53.683,933 247.193,934 42.683,935 11,937 30.392,938 92.779,939 33.449,941 247.193,942 91.42,943 118.883,946 247.193,947 34.248,948 88.923,950 87.132,951 247.193,952 91.42,953 118.883,955 0.585,956 0.354,957 0.203,958 0.115,959 25,960 10,961 0.056,962 3,963 2,964 1.16,965 3.956,966 263.117,967 0.16,968 25,969 128.606,974 17.473,975 7.08,976 3.143,977 3.17,978 90.256,979 16.447,980 9.404,984 4.039,986 42.683,987 457.496,988 42.5,999 50.014,1000 56.149,1001 0.269,1002 0.631,1003 0.786,1004 0.857,1005 0.891,1006 0.905,1007 5.019,1008 1.618,1009 5.927,1010 4.568,1011 4.533,1012 5.139,1013 1.473,1014 6.781,1015 4.448,1016 6.244,1017 1.295,1018 7.507,1019 3.838,1020 4.111,1021 5.047,1022 0.325,1023 7.743,1024 3.983,1025 7.573,1026 1.244,1027 9.191,1028 3.388,1029 6.159,1030 7.465,1031 1.093,1032 10.896,1033 6.001,1034 8.944,1035 1.083,1036 10.936,1037 2.825,1038 6.594,1039 8.254,1040 0.268,1041 12.707,1042 6.396,1043 10.351,1044 1,1045 12.721,1046 2.642,1047 8.097,1048 10.134,1049 0.823,1050 15.363,1051 7.87,1052 11.785,1053 0.836,1054 14.533,1055 2.136,1056 8.929,1057 11.329,1058 0.188,1059 17.516,1060 8.666,1061 13.239,1062 0.203,1063 16.364,1064 2.033,1065 10.214,1066 12.995,1067 0.62,1068 20.004,1069 9.92,1070 3.278,1071 -0.236,1072 18.209,1073 0.535,1074 11.227,1075 14.376,1076 0.125,1077 22.301,1078 10.898,1079 3.022,1080 11.407,1081 20.064,1082 -0.611,1083 12.428,1084 15.955,1085 0.465,1086 24.732,1087 12.067,1088 2.782,1089 10.201,1090 21.928,1091 4.676,1092 13.522,1093 17.417,1094 0.082,1095 27.091,1096 13.126,1097 2.404,1098 9.047,1099 23.798,1100 4.426,1101 14.693,1102 18.962,1103 0.348,1104 29.506,1105 14.264,1106 2.05,1107 7.773,1108 25.674,1109 3.455,1110 15.824,1111 20.46,1112 0.054,1113 31.895,1114 15.359,1115 1.855,1116 6.147,1117 27.554,1118 3.066,1119 16.987,1120 21.993,1121 0.259,1122 34.307,1123 16.487,1124 1.691,1125 5.368,1126 29.439,1127 2.854,1128 18.136,1129 23.507,1130 0.035,1131 36.711,1132 17.599,1133 9009,1134 14054,1135 22.076,1136 33.784,1137 48.774,1138 49.315,1139 49.691,1140 48.766,1141 48.719,1142 65.02,1143 4.68,1144 143.812,1145 46.574,1146 5.707,1147 5.42,1148 6.655,1149 5.335,1150 5.278,1151 7.676,1152 1.72,1153 18.711,1154 5.142,1155 9.232,1156 1.524,1157 1.541,1158 1.553,1159 1.524,1160 1.522,1161 2.032,1162 0.146,1163 4.494,1164 1.455,1165 4.159,1166 4.2,1167 4.131,1168 4.076,1169 6.473,1170 4.077,1171 4.039,1172 4.07,1173 4.003,1174 3.902,1175 5.041,1176 3.931,1177 3.762,1178 3.819,1179 3.657,1180 3.558,1181 4.882,1182 3.572,1183 3.503,1184 3.545,1185 3.405,1186 3.406,1187 4.63,1188 3.4,1189 3.409,1190 3.457,1191 3.307,1192 3.282,1193 4.373,1194 3.283,1195 3.161,1196 3.228,1197 3.034,1198 3.042,1199 4.328,1200 3.029,1201 3.111,1202 3.206,1203 2.876,1204 2.941,1205 3.902,1206 2.91,1207 2.968,1208 3.048,1209 2.866,1210 2.771,1211 3.744,1212 2.753,1213 0.147,1214 0.107,1215 0.214,1216 0.132,1217 0.102,1218 4.707,1219 0.146,1220 3.42,1221 0.027,1222 6.853,1223 0.356,1224 4.232,1225 0.098,1226 3.278,1227 4.676,1228 0.86,1229 11.407,1230 3.142,1231 2.086,1232 2.068,1233 2.17,1234 2.14,1235 1.344,1236 2.15,1237 1.858,1238 1.814,1239 1.961,1240 2.072,1241 1.211,1242 2.037,1243 1.653,1244 1.607,1245 1.83,1246 1.88,1247 1.035,1248 1.859,1249 1.587,1250 1.533,1251 1.749,1252 1.764,1253 0.825,1254 1.774,1255 1.462,1256 1.417,1257 1.662,1258 1.587,1259 0.82,1260 1.614,1261 1.181,1262 1.12,1263 1.513,1264 1.376,1265 0.722,1266 1.429,1267 1.153,1268 1.064,1269 1.461,1270 1.36,1271 0.587,1272 1.397,1273 0.947,1274 0.895,1275 1.182,1276 1.196,1277 0.29,1278 1.163,1279 4.174,1281 5.517,1282 2.398,1283 7.069,1284 4.844,1285 8.714,1286 7.034,1287 10.408,1289 1.975,1294 10.561,1295 3.613,1297 5.437,1300 2.146,1305 32.256,1306 75.978,1307 178.087,1308 221.928,1309 241.928,1310 251.438,1311 255.438,1312 36.609,1313 8.146,1314 62.89,1315 62.89,1316 29,1317 12.8,1318 4.459,1319 3.524,1320 37.478,1321 99,1322 101,1323 0.184,1324 193.658,1325 321.58,1326 464.286,1327 41179,1329 19.087,1330 0.682,1331 0.564,1332 19.087,1333 15.799,1334 13.704,1335 0.428,1336 0.299,1337 9.447,1338 13.182,1339 9.231,1340 7.579,1341 13.704,1342 9.581,1343 12.446,1344 0.271,1345 0.156,1346 12.446,1347 7.186,1348 11.07,1349 0.17,1350 0.084,1351 11.07,1352 5.435,1353 9.732,1354 0.108,1355 0.044,1356 9.732,1357 3.938,1358 8.346,1359 0.07,1360 0.023,1361 8.346,1362 2.791,1363 0.282,1364 85.727,1365 0.213,1366 26.266,1367 0.525,1368 156,1369 416.466,1370 170.474,1371 403.583,1372 570.4,1373 382,1374 189,1375 438.171,1376 204.947,1377 441.688,1378 655.51,1379 418,1380 6.5}
{0 CHEMBL2322333,1 1.714,2 10.172,3 4.665,4 21.762,5 103.087,6 7.95,7 0.5,8 4.052,9 4.162,10 3.659,11 3.555,12 5.184,13 3.56,14 4.644,15 4.808,16 4.131,17 3.966,18 6.164,19 3.961,20 4.843,21 5.032,22 4.148,23 4.131,24 5.981,25 4.097,26 4.982,27 5.197,28 4.149,29 4.163,30 6.17,31 4.114,32 5.014,33 5.261,34 4.076,35 4.094,36 6.185,37 4.046,38 4.889,39 5.091,40 4,41 4.026,42 6.076,43 3.993,44 4.864,45 5.092,46 3.975,47 3.988,48 5.981,49 3.937,50 4.844,51 5.085,52 3.985,53 3.889,54 6.187,55 3.829,56 0.165,57 0.954,58 9.495,59 5.087,60 26.981,61 5.861,62 0.957,63 1.868,64 21.4,65 8.499,66 147.729,67 10.399,68 0.579,69 1.789,70 25.796,71 10.209,72 60.649,73 13.067,74 0.728,75 2.062,76 31.431,77 11.479,78 79.28,79 14.64,80 1.037,81 1.995,82 36.563,83 11.768,84 139.823,85 14.791,86 0.935,87 1.701,88 29.884,89 9.691,90 124.189,91 11.701,92 0.788,93 1.628,94 28.912,95 9.139,96 77.621,97 12.49,98 1.052,99 1.742,100 30.042,101 9.695,102 95.38,103 13.332,104 38,105 48,106 0.288,107 0.603,108 0.781,109 0.827,110 0.833,111 0.833,112 3.409,113 0.897,114 -5.4,115 -5.28,116 -4.94,119 41.2,120 2,121 3,122 1,125 2,132 1,142 4,143 4,146 2,153 1,161 1,166 1,172 11,174 1,175 9,178 1,180 1,183 14,186 1,187 8,190 1,195 13,199 5,202 1,204 2,207 8,211 1,212 10,217 4,220 8,224 11,229 1,232 8,236 1,237 4,240 1,242 2,245 9,249 1,250 1,255 3,258 10,263 2,268 1,271 8,275 1320,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.003,282 23.199,283 10.831,284 19.573,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 12.758,291 25.418,292 5.135,293 16.823,294 3.958,295 2.083,296 1.025,297 0.75,298 0.711,299 0.711,300 4.098,304 1,305 1,306 633,307 3.464,310 61.673,311 252.88,314 113.105,318 1.57,319 50.604,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 66,331 295,332 4.707,333 4.472,334 7.265,335 4.297,336 3.396,337 4.674,338 3.825,339 12.293,340 3.161,341 4.571,342 3.419,343 6.849,344 4.21,345 3.267,346 4.117,347 0.86,348 11.388,349 3.052,350 4.038,351 3.106,352 6.161,353 3.786,354 2.808,355 3.458,356 0.68,357 9.101,358 2.745,359 3.896,360 2.954,361 6.054,362 3.595,363 2.656,364 3.152,366 8.599,367 2.434,368 3.674,369 2.626,370 5.795,371 3.301,372 2.356,373 3.011,375 7.602,376 2.208,377 3.191,378 2.301,379 4.985,380 2.787,381 1.861,382 2.434,384 5.368,385 1.721,386 2.96,387 2.032,388 4.781,389 2.625,390 1.691,391 2.081,393 4.918,394 1.575,395 2.916,396 1.91,397 4.54,398 2.555,399 1.616,400 2.018,402 4.541,403 1.48,404 2.854,405 1.514,406 4.157,407 2.414,408 1.414,409 1.975,411 3.34,412 1.414,413 2.515,414 1.444,415 3.875,416 2.158,417 1.223,418 1.519,420 3.169,421 1.132,422 2.203,423 1.302,424 3.53,425 1.969,426 1.031,427 1.175,428 2.625,429 0.963,430 2,431 1.2,432 3.247,433 1.955,434 1,435 1,436 2.136,437 0.943,438 1.558,439 0.697,440 3.23,441 1.3,442 0.325,443 0.386,445 0.863,446 0.315,447 1.214,448 0.51,449 2.879,450 0.913,451 -0.053,452 -0.062,454 -0.131,455 -0.05,456 0.939,457 0.51,458 2.709,459 0.543,460 -0.413,461 -0.533,463 -1.099,464 -0.39,465 13.224,466 0.456,467 1.005,468 0.035,469 33.25,470 1.147,471 14.5,472 0.5,473 18.75,474 0.647,475 29.02,476 1.001,477 32.976,478 0.647,479 27.464,480 0.947,481 6.487,482 0.224,483 7.266,484 0.251,485 0.166,486 0.038,487 0.371,490 3,493 0.624,494 1.006,495 0.686,496 1.118,497 0.631,498 0.983,499 0.521,500 0.795,501 0.673,502 0.945,503 0.362,504 0.895,505 0.659,506 0.909,507 0.841,508 1.039,509 0.52,510 1.018,511 0.815,512 1.063,513 0.991,514 1.143,515 0.758,516 1.126,517 1.075,518 0.994,519 1.002,520 0.903,521 1.127,522 0.908,523 1.239,524 0.983,525 1.238,526 1.01,527 1.204,528 1.088,529 0.734,530 0.847,531 0.976,532 0.976,533 0.632,534 1.025,535 0.596,536 0.738,537 0.823,538 1.037,539 0.685,540 1.038,541 7,542 0.169,543 4.222,544 2.889,545 1.987,546 1.306,547 0.755,548 0.69,549 0.402,550 0.274,551 9877,552 32264,553 2.041,554 43.1,555 5,556 8,559 1,560 4,561 4,564 1.724,565 1.861,566 3.324,567 -0.302,573 87.438,574 1.714,575 3.589,576 4.648,577 4.922,578 4.961,579 4.961,580 2.76,581 4.418,582 4.831,583 3.487,584 1415.53,585 8.438,586 18537.2,588 1,591 289.294,592 1.694,593 4.757,594 0.219,595 0.008,596 0.088,597 0.058,598 0.042,599 0.03,600 0.018,601 0.018,602 0.011,603 0.011,604 0.503,605 0.5,606 1,607 0.805,608 145.065,609 -0.022,610 -0.035,611 0.035,612 -0.013,613 -0.085,614 0.017,615 0.323,616 0.209,617 0.189,618 0.094,619 0.408,620 0.084,621 -0.025,622 -0.082,623 -0.004,624 -0.039,625 0.023,626 -0.024,627 -0.063,628 -0.142,629 -0.093,630 -0.162,631 -0.011,632 -0.14,633 -0.117,634 -0.001,635 -0.005,636 0.068,637 -0.118,638 0.081,639 -0.257,640 -0.042,641 -0.297,642 -0.052,643 -0.22,644 -0.151,645 -0.033,646 -0.083,647 -0.067,648 -0.064,649 -0.019,650 -0.067,651 0.292,652 0.165,653 0.159,654 -0.084,655 0.183,656 -0.051,657 5.65,658 5.279,659 0.724,660 24.535,661 1.024,662 1.147,663 4.172,664 17.409,665 0.649,666 3.497,667 3.892,668 4.174,669 4.466,670 4.7,671 4.796,672 4.99,673 5.153,674 5.22,675 5.313,676 6.177,677 0.636,678 405.46,679 3.497,680 5.081,681 5.953,682 6.868,683 7.76,684 8.677,685 9.578,686 10.495,687 11.401,688 12.32,689 5.9,697 1,699 2,703 1,704 4,705 2,709 7,711 16,728 1,731 51,733 16,734 1,735 32,737 54,738 21,739 12,740 3,741 3,746 4,747 5,752 3,755 2,756 1,757 1,758 3,761 12,762 9,763 1,778 1,779 3,781 22,782 7,783 1,784 8,790 3,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 29,853 1,854 5,856 1,858 1,860 1,869 3,870 3.9,872 1,874 1,877 15.583,878 9.812,879 6.111,880 3.149,881 3.194,882 1.408,883 0.969,884 5.201,885 11.021,886 3.714,887 4.379,888 4.998,889 5.625,890 6.174,891 6.533,892 6.983,893 7.414,894 7.662,895 7.983,896 0.857,897 50,898 11.236,900 5.346,901 8.152,902 20.148,904 17.046,905 2.652,906 76.917,908 1,909 1,910 247.193,911 100.074,912 34.612,914 53.683,915 44.88,917 100.074,918 300.876,919 79.493,920 17.65,921 16.788,922 37.905,923 88.847,924 64.3,926 247.193,927 7.76,928 247.193,929 134.687,930 98.564,933 200.109,934 134.648,935 11,937 50.591,938 50.647,939 33.449,941 292.073,942 88.296,943 100.074,946 254.953,947 36.759,948 56.719,950 132.012,951 247.193,952 133.176,953 100.074,955 0.603,956 0.351,957 0.189,958 0.102,959 25,960 12,961 0.056,962 3,963 1,964 1.095,965 3.859,966 269.329,967 0.095,968 21,969 132.127,974 20.031,975 7.531,976 3.806,977 0.487,978 132.012,979 5.824,980 9.093,984 2.221,986 42.683,987 480.444,988 40,999 52.218,1000 58.5,1001 0.302,1002 0.633,1003 0.819,1004 0.868,1005 0.875,1006 0.875,1007 5.004,1008 1.616,1009 6.004,1010 4.918,1011 4.575,1012 5.066,1013 3.146,1014 6.905,1015 4.46,1016 6.256,1017 1.414,1018 7.63,1019 4.541,1020 4.443,1021 5.112,1022 3.903,1023 8.109,1024 4.2,1025 7.609,1026 1.223,1027 9.365,1028 3.34,1029 6.301,1030 7.358,1031 5.427,1032 11.183,1033 6.07,1034 9,1035 1.031,1036 11.163,1037 3.169,1038 6.948,1039 8.202,1040 6.69,1041 13.166,1042 6.595,1043 10.423,1044 1,1045 13.001,1046 2.625,1047 8.36,1048 9.996,1049 8.058,1050 15.829,1051 7.993,1052 11.869,1053 0.325,1054 14.865,1055 2.136,1056 9.329,1057 11.202,1058 9.388,1059 18.109,1060 8.857,1061 13.333,1062 -0.053,1063 16.749,1064 0.863,1065 10.59,1066 12.824,1067 10.734,1068 20.645,1069 10.08,1070 3.396,1071 -0.413,1072 18.647,1073 -0.131,1074 11.692,1075 14.2,1076 12.074,1077 23.045,1078 11.092,1079 3.267,1080 12.293,1081 20.557,1082 -1.099,1083 12.904,1084 15.757,1085 13.416,1086 25.542,1087 12.248,1088 2.808,1089 11.388,1090 22.476,1091 4.674,1092 14.061,1093 17.212,1094 14.758,1095 27.992,1096 13.324,1097 2.656,1098 9.101,1099 24.403,1100 4.117,1101 15.261,1102 18.746,1103 16.1,1104 30.48,1105 14.459,1106 2.356,1107 8.599,1108 26.336,1109 3.458,1110 16.443,1111 20.239,1112 17.441,1113 32.952,1114 15.564,1115 1.861,1116 7.602,1117 28.275,1118 3.152,1119 17.641,1120 21.767,1121 18.783,1122 35.44,1123 16.694,1124 1.691,1125 5.368,1126 30.218,1127 3.011,1128 18.835,1129 23.279,1130 20.124,1131 37.922,1132 17.812,1133 9527,1134 17401,1135 20.69,1136 33.114,1137 49.668,1138 49.51,1139 50.941,1140 49.53,1141 49.288,1142 62,1143 10.731,1144 151.883,1145 46.288,1146 5.707,1147 6.472,1148 7.067,1149 5.372,1150 5.396,1151 7.674,1152 5.335,1153 20.015,1154 5.161,1155 16.803,1156 1.552,1157 1.547,1158 1.592,1159 1.548,1160 1.54,1161 1.938,1162 0.335,1163 4.746,1164 1.447,1165 4.144,1166 4.19,1167 4.121,1168 4.002,1169 8.513,1170 4.02,1171 3.945,1172 3.973,1173 3.908,1174 3.853,1175 7.999,1176 3.863,1177 3.794,1178 3.84,1179 3.682,1180 3.647,1181 7.999,1182 3.649,1183 3.452,1184 3.494,1185 3.395,1186 3.299,1187 6.473,1188 3.307,1189 3.326,1190 3.376,1191 3.293,1192 3.066,1193 5.033,1194 3.1,1195 3.173,1196 3.258,1197 2.99,1198 3.03,1199 4.673,1200 3.008,1201 3.111,1202 3.206,1203 2.924,1204 2.941,1205 4.614,1206 2.91,1207 3.051,1208 3.135,1209 2.866,1210 2.805,1211 4.358,1212 2.807,1213 0.147,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.707,1219 0.146,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.297,1225 0.099,1226 3.396,1227 4.674,1228 3.825,1229 12.293,1230 3.161,1231 1.972,1232 1.948,1233 2.072,1234 2.096,1235 1.386,1236 2.08,1237 1.897,1238 1.86,1239 2.035,1240 2.029,1241 1.271,1242 2.031,1243 1.666,1244 1.623,1245 1.805,1246 1.887,1247 0.984,1248 1.866,1249 1.57,1250 1.519,1251 1.745,1252 1.742,1253 0.825,1254 1.749,1255 1.21,1256 1.135,1257 1.553,1258 1.465,1259 0.819,1260 1.47,1261 1.189,1262 1.13,1263 1.513,1264 1.418,1265 0.63,1266 1.429,1267 1.153,1268 1.064,1269 1.46,1270 1.376,1271 0.599,1272 1.426,1273 1.003,1274 0.95,1275 1.207,1276 1.299,1277 0.415,1278 1.27,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.034,1287 10.46,1289 3.262,1291 39.838,1294 10.472,1295 3.185,1297 5.398,1299 0.179,1301 -4.4,1305 32.439,1306 87.438,1307 183.052,1308 237.029,1309 251.029,1310 253.029,1311 253.029,1312 69.243,1313 7.826,1314 59.65,1315 59.65,1316 23,1317 12.832,1318 4.087,1319 3.17,1320 44.513,1321 106,1322 108,1323 0.205,1324 194.114,1325 340.03,1326 465.399,1327 26396,1328 5.9,1329 20.759,1330 0.716,1331 0.56,1332 18.259,1333 16.253,1334 13.753,1335 0.43,1336 0.299,1337 9.389,1338 13.032,1339 9.171,1340 7.509,1341 12.542,1342 9.57,1343 13.57,1344 0.283,1345 0.156,1346 11.574,1347 7.489,1348 10.927,1349 0.171,1350 0.088,1351 10.222,1352 5.644,1353 9.376,1354 0.109,1355 0.046,1356 8.392,1357 3.952,1358 7.537,1359 0.069,1360 0.025,1361 6.969,1362 2.687,1363 0.315,1364 87.7,1365 0.22,1366 27.027,1367 0.584,1368 160,1369 639.154,1370 189.021,1371 531.573,1372 701.24,1373 494,1374 192,1375 500.354,1376 215.481,1377 484.379,1378 735.01,1379 455,1380 5.8}
{0 CHEMBL2322334,1 1.846,2 10.233,3 3.659,4 13.391,5 102.672,6 8.58,7 0.485,8 4.034,9 4.138,10 3.699,11 3.502,12 5.244,13 3.537,14 4.608,15 4.765,16 4.178,17 3.893,18 6.208,19 3.928,20 4.769,21 4.928,22 4.214,23 4.055,24 6.079,25 4.069,26 4.912,27 5.098,28 4.212,29 4.107,30 6.247,31 4.097,32 4.979,33 5.209,34 4.123,35 4.045,36 6.242,37 4.031,38 4.849,39 5.038,40 4.074,41 3.974,42 6.177,43 3.975,44 4.823,45 5.034,46 4.047,47 3.928,48 6.067,49 3.922,50 4.795,51 5.015,52 4.037,53 3.819,54 6.242,55 3.806,56 0.264,57 0.946,58 7.702,59 4.497,60 36.477,61 4.855,62 1.124,63 1.816,64 18.782,65 7.315,66 154.942,67 8.483,68 0.855,69 1.715,70 20.674,71 8.401,72 84.377,73 9.827,74 0.984,75 1.982,76 25.627,77 10.27,78 107.109,79 11.987,80 1.363,81 1.917,82 34.034,83 10.864,84 184.537,85 12.896,86 1.229,87 1.628,88 26.675,89 8.887,90 164.686,91 10.092,92 1.026,93 1.559,94 25.899,95 8.03,96 106.376,97 10.349,98 1.2,99 1.656,100 26.742,101 8.499,102 114.97,103 11.215,104 51,105 50,106 0.311,107 0.657,108 0.815,109 0.863,110 0.87,111 0.87,112 3.441,113 0.844,114 -5.06,115 -4.96,116 -4.65,119 40.8,120 2,121 1,125 3,132 1,142 4,143 4,146 1,147 1,153 1,158 1,161 1,166 1,172 9,174 3,175 7,178 1,180 1,183 12,186 3,187 5,190 1,195 11,198 2,199 6,202 2,204 1,207 7,211 2,212 8,217 2,220 5,223 1,224 12,227 1,229 1,232 4,236 2,237 7,240 1,242 2,245 3,249 1,250 6,255 3,258 3,263 5,268 1,271 1,275 1428,276 19.471,277 19.471,278 19.471,279 19.471,280 19.471,281 17.373,282 24.201,283 10.989,284 20.139,285 16.251,286 16.251,287 16.251,288 16.251,289 16.251,290 12.963,291 29.695,292 5.18,293 17.404,294 3.769,295 1.715,296 0.781,297 0.495,298 0.454,299 0.454,300 4.128,304 1,305 1,306 656,307 3.536,310 63.991,311 261.982,314 116.742,318 1.582,319 59.579,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 69.5,331 307,332 4.71,333 4.472,334 7.265,335 4.297,336 3.396,337 4.675,338 3.825,339 12.293,340 3.158,341 4.571,342 3.78,343 6.854,344 4.212,345 3.273,346 4.117,347 2.055,348 11.407,349 3.048,350 4.153,351 3.397,352 6.433,353 3.886,354 2.938,355 3.521,356 0.933,357 9.888,358 2.776,359 3.933,360 3.039,361 6.08,362 3.614,363 2.679,364 3.212,365 0.68,366 8.664,367 2.451,368 3.744,369 2.752,370 5.818,371 3.344,372 2.394,373 3.077,374 0.51,375 7.68,376 2.253,377 3.389,378 2.518,379 5.096,380 2.948,381 2,382 2.675,384 5.868,385 1.886,386 3.118,387 2.237,388 4.952,389 2.667,390 1.721,391 2.343,393 5.197,394 1.624,395 2.93,396 2.032,397 4.778,398 2.557,399 1.617,400 2.072,402 4.889,403 1.483,404 2.855,405 1.911,406 4.239,407 2.414,408 1.414,409 1.983,411 3.498,412 1.414,413 2.574,414 1.514,415 3.92,416 2.355,417 1.414,418 1.559,420 3.173,421 1.314,422 2.503,423 1.484,424 3.86,425 2.148,426 1.211,427 1.491,428 3.065,429 1.124,430 2.185,431 1.363,432 3.588,433 1.937,434 1.028,435 1.155,436 2.708,437 0.926,438 1.572,439 0.936,440 3.249,441 1.311,442 0.338,443 0.401,445 0.893,446 0.327,447 1.259,448 0.688,449 2.903,450 0.945,451 -0.026,452 -0.031,454 -0.065,455 -0.025,456 1.13,457 0.51,458 2.715,459 0.766,460 -0.228,461 -0.279,463 -0.515,464 -0.219,465 13.457,466 0.449,467 1.094,468 0.036,469 36.75,470 1.225,471 16.5,472 0.55,473 20.25,474 0.675,475 27.727,476 0.924,477 33.943,478 0.693,479 32.317,480 1.077,481 7.524,482 0.251,483 6.64,484 0.221,485 0.188,486 0.037,487 0.394,490 3,493 0.652,494 1.083,495 0.632,496 1.147,497 0.628,498 0.961,499 0.557,500 0.782,501 0.618,502 0.867,503 0.406,504 0.803,505 0.726,506 0.929,507 0.855,508 1.002,509 0.65,510 0.986,511 0.832,512 1.096,513 1.012,514 1.204,515 0.836,516 1.191,517 1.097,518 1.004,519 1.038,520 0.919,521 1.144,522 0.93,523 1.128,524 1,525 1.172,526 1.015,527 1.075,528 1.078,529 0.787,530 0.854,531 0.973,532 0.952,533 0.693,534 0.998,535 0.698,536 0.781,537 0.868,538 1.072,539 0.774,540 1.074,541 7.5,542 0.186,543 4.667,544 3.326,545 2.098,546 1.389,547 0.862,548 0.762,549 0.427,550 0.314,551 10648,552 39694,553 2.02,554 38.8,555 5,556 10,559 1,560 3,564 1.733,565 1.827,566 3.33,567 -0.25,569 1,573 90.462,574 1.846,575 3.899,576 4.834,577 5.12,578 5.16,579 5.16,580 2.759,581 4.682,582 4.881,583 3.504,584 1524.43,585 8.538,586 20439.9,588 1,590 1,591 275.121,592 1.715,593 4.797,594 0.227,595 0.008,596 0.093,597 0.063,598 0.042,599 0.03,600 0.02,601 0.018,602 0.011,603 0.012,604 0.524,605 0.33,606 1,607 0.817,608 151.643,609 -0.046,610 -0.114,611 0.031,612 -0.07,613 -0.09,614 -0.013,615 0.29,616 0.226,617 0.222,618 0.138,619 0.342,620 0.137,621 -0.032,622 -0.068,623 -0.058,624 -0.023,625 -0.01,626 -0.043,627 -0.055,628 -0.142,629 -0.143,630 -0.209,631 -0.034,632 -0.215,633 -0.146,634 -0.011,635 -0.026,636 0.062,637 -0.151,638 0.08,639 -0.192,640 -0.061,641 -0.243,642 -0.05,643 -0.151,644 -0.131,645 -0.058,646 -0.092,647 -0.058,648 -0.049,649 -0.031,650 -0.041,651 0.215,652 0.132,653 0.129,654 -0.12,655 0.119,656 -0.081,657 5.698,658 5.279,659 0.7,660 25.667,661 1.038,662 1.151,663 3.833,664 14.691,665 0.654,666 3.526,667 3.932,668 4.22,669 4.511,670 4.736,671 4.844,672 5.037,673 5.215,674 5.278,675 5.38,676 6.278,677 0.656,678 420.43,679 3.526,680 5.118,681 5.994,682 6.913,683 7.808,684 8.727,685 9.63,686 10.55,687 11.458,688 12.379,689 8.2,696 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,728 1,731 49,733 17,734 1,735 33,737 52,738 20,739 12,740 3,741 3,746 4,747 5,752 3,757 1,758 1,761 13,762 7,766 1,771 1,775 1,778 1,779 3,781 19,782 9,783 1,784 10,790 4,794 0.75,795 3,803 1,806 1,811 1,812 3,815 1,827 1,839 1,840 3,844 2,846 3,848 30,853 1,854 4,856 1,859 1,860 1,869 3,870 6.1,872 1,873 1,874 1,877 16.417,878 9.595,879 6.306,880 2.849,881 3.275,882 1.413,883 0.971,884 5.207,885 11.2,886 3.761,887 4.428,888 5.038,889 5.661,890 6.201,891 6.574,892 7.037,893 7.486,894 7.737,895 8.065,896 0.857,897 53,898 11.631,900 5.582,901 8.325,902 20.325,904 16.892,905 2.825,906 84.75,908 1,909 1,910 211.88,911 101.387,912 37.737,914 78.828,915 44.88,917 101.387,918 290.708,919 82.617,920 17.65,921 16.949,922 37.905,923 118.697,924 61.543,925 2.328,926 211.88,927 7.76,928 211.88,929 139.124,930 123.708,933 211.88,934 112.709,935 11,937 47.995,938 57.68,939 33.449,941 256.76,942 116.565,943 101.387,946 219.639,947 38.072,948 59.844,950 157.157,951 211.88,952 161.445,953 101.387,955 0.607,956 0.357,957 0.191,958 0.101,959 26,960 13,961 0.058,962 3,963 1,964 1.095,965 3.891,966 283.684,967 0.095,968 21,969 142.452,974 20.641,975 7.568,976 3.788,977 0.29,978 160.281,979 5.383,980 8.764,984 1.059,986 42.683,987 474.712,988 42,993 12.15,997 -0.288,999 50.88,1000 56.377,1001 0.329,1002 0.694,1003 0.861,1004 0.912,1005 0.919,1006 0.919,1007 5.056,1008 1.617,1009 6.052,1010 5.197,1011 4.615,1012 5.115,1013 3.437,1014 6.961,1015 4.49,1016 6.315,1017 1.414,1018 7.686,1019 4.889,1020 4.511,1021 5.182,1022 3.987,1023 8.172,1024 4.263,1025 7.673,1026 1.414,1027 9.426,1028 3.498,1029 6.351,1030 7.403,1031 5.532,1032 11.249,1033 6.095,1034 9.065,1035 1.211,1036 11.228,1037 3.173,1038 7.013,1039 8.25,1040 6.721,1041 13.23,1042 6.638,1043 10.489,1044 1.028,1045 13.067,1046 3.065,1047 8.416,1048 10.029,1049 8.087,1050 15.893,1051 8.012,1052 11.934,1053 0.338,1054 14.932,1055 2.708,1056 9.391,1057 11.233,1058 9.399,1059 18.168,1060 8.886,1061 13.396,1062 -0.026,1063 16.816,1064 0.893,1065 10.648,1066 12.847,1067 10.742,1068 20.702,1069 10.094,1070 3.396,1071 -0.228,1072 18.714,1073 -0.065,1074 11.751,1075 14.22,1076 12.078,1077 23.096,1078 11.11,1079 3.273,1080 12.293,1081 20.623,1082 -0.515,1083 12.961,1084 15.772,1085 13.419,1086 25.59,1087 12.259,1088 2.938,1089 11.407,1090 22.54,1091 4.675,1092 14.117,1093 17.225,1094 14.759,1095 28.034,1096 13.336,1097 2.679,1098 9.888,1099 24.465,1100 4.117,1101 15.314,1102 18.756,1103 16.1,1104 30.518,1105 14.466,1106 2.394,1107 8.664,1108 26.397,1109 3.521,1110 16.494,1111 20.248,1112 17.441,1113 32.986,1114 15.57,1115 2,1116 7.68,1117 28.333,1118 3.212,1119 17.69,1120 21.774,1121 18.783,1122 35.47,1123 16.696,1124 1.721,1125 5.868,1126 30.274,1127 3.077,1128 18.882,1129 23.285,1130 20.125,1131 37.949,1132 17.813,1133 10318,1134 20070,1135 21.096,1136 32.051,1137 51.384,1138 51.946,1139 53.478,1140 51.048,1141 50.846,1142 64.563,1143 16.007,1144 158.444,1145 47.566,1146 5.71,1147 6.472,1148 6.95,1149 5.401,1150 5.396,1151 7.675,1152 5.431,1153 20.015,1154 5.158,1155 18.627,1156 1.557,1157 1.574,1158 1.621,1159 1.547,1160 1.541,1161 1.956,1162 0.485,1163 4.801,1164 1.441,1165 4.139,1166 4.186,1167 4.119,1168 3.992,1169 8.513,1170 4.011,1171 3.943,1172 3.971,1173 3.908,1174 3.838,1175 7.999,1176 3.855,1177 3.771,1178 3.811,1179 3.7,1180 3.547,1181 7.999,1182 3.576,1183 3.452,1184 3.493,1185 3.399,1186 3.298,1187 7.427,1188 3.309,1189 3.325,1190 3.376,1191 3.295,1192 3.065,1193 6.473,1194 3.099,1195 3.173,1196 3.258,1197 2.988,1198 3.03,1199 5.034,1200 3.007,1201 3.139,1202 3.197,1203 2.982,1204 2.937,1205 4.673,1206 2.934,1207 3.049,1208 3.135,1209 2.913,1210 2.804,1211 4.578,1212 2.806,1213 0.143,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.71,1219 0.142,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.297,1225 0.096,1226 3.396,1227 4.675,1228 3.825,1229 12.293,1230 3.158,1231 1.968,1232 1.946,1233 2.066,1234 2.087,1235 1.274,1236 2.065,1237 1.841,1238 1.801,1239 1.922,1240 2.026,1241 1.122,1242 2.009,1243 1.618,1244 1.58,1245 1.789,1246 1.871,1247 0.98,1248 1.837,1249 1.565,1250 1.515,1251 1.739,1252 1.742,1253 0.814,1254 1.749,1255 1.21,1256 1.134,1257 1.553,1258 1.464,1259 0.651,1260 1.47,1261 1.187,1262 1.128,1263 1.458,1264 1.418,1265 0.625,1266 1.425,1267 1.116,1268 1.054,1269 1.423,1270 1.359,1271 0.597,1272 1.381,1273 0.991,1274 0.933,1275 1.128,1276 1.293,1277 0.218,1278 1.265,1279 4.205,1281 5.587,1282 2.398,1283 7.159,1284 4.844,1285 8.816,1286 7.034,1287 10.517,1289 3.133,1291 39.836,1294 10.421,1295 0.699,1297 5.119,1300 1.408,1301 -4.448,1305 32.121,1306 90.462,1307 191.063,1308 236.856,1309 250.856,1310 252.856,1311 252.856,1312 78.005,1313 7.924,1314 79.96,1315 79.96,1316 23,1317 12.889,1318 4.17,1319 3.322,1320 46.827,1321 112,1322 105,1323 0.205,1324 192.385,1325 339.88,1326 461.179,1327 29831,1328 6.1,1329 21.629,1330 0.721,1331 0.544,1332 19.129,1333 16.324,1334 14.164,1335 0.429,1336 0.281,1337 9.065,1338 13.291,1339 8.868,1340 7.251,1341 12.952,1342 9.286,1343 14.097,1344 0.282,1345 0.143,1346 12.102,1347 7.134,1348 11.394,1349 0.17,1350 0.078,1351 10.689,1352 5.234,1353 9.78,1354 0.109,1355 0.04,1356 8.797,1357 3.617,1358 7.725,1359 0.068,1360 0.021,1361 7.157,1362 2.391,1363 0.315,1364 91.278,1365 0.218,1366 27.749,1367 0.584,1368 166,1369 718.535,1370 200.038,1371 601.931,1372 789.88,1373 558,1374 200,1375 561.512,1376 229.025,1377 543.026,1378 823.01,1379 509,1380 6.6}
{0 CHEMBL2322335,1 1.746,2 10.267,3 4.792,4 22.963,5 107.98,6 7.934,7 0.485,8 4.093,9 4.209,10 3.699,11 3.563,12 5.228,13 3.575,14 4.683,15 4.859,16 4.177,17 3.959,18 6.196,19 3.97,20 4.868,21 5.052,22 4.194,23 4.131,24 6.027,25 4.113,26 5.013,27 5.23,28 4.193,29 4.193,30 6.201,31 4.146,32 5.07,33 5.322,34 4.124,35 4.139,36 6.219,37 4.086,38 4.95,39 5.163,40 4.047,41 4.061,42 6.122,43 4.03,44 4.907,45 5.135,46 4.046,47 4.021,48 6.031,49 3.98,50 4.891,51 5.123,52 4.06,53 3.925,54 6.253,55 3.885,56 0.182,57 0.996,58 10.017,59 5,60 25.848,61 5.961,62 1.021,63 1.896,64 22.708,65 8.073,66 145.472,67 10.25,68 0.716,69 1.825,70 26.614,71 9.623,72 57.687,73 12.444,74 0.801,75 2.119,76 32.313,77 11.495,78 74.999,79 14.977,80 1.084,81 2.049,82 38.686,83 12.24,84 137.9,85 15.95,86 1.028,87 1.747,88 32.372,89 9.744,90 127.232,91 12.371,92 0.823,93 1.678,94 30.1,95 9.068,96 73.903,97 12.793,98 1.153,99 1.782,100 31.147,101 9.316,102 102.022,103 12.941,104 51,105 50,106 0.291,107 0.616,108 0.807,109 0.863,110 0.87,111 0.87,112 3.441,113 0.887,114 -5.71,115 -5.58,116 -5.2,119 39.6,120 3,121 1,125 3,127 1,132 1,142 4,143 4,146 1,147 1,153 1,161 1,166 1,172 9,174 2,175 8,178 1,180 1,183 12,186 2,187 6,190 1,195 11,198 1,199 5,202 2,204 1,207 7,211 2,212 9,217 2,220 6,224 11,229 1,232 4,236 1,237 7,240 1,242 3,245 4,249 1,250 5,255 3,258 4,263 3,268 1,271 3,275 1444,276 19.419,277 19.419,278 19.419,279 19.419,280 19.419,281 17.45,282 25.568,283 10.953,284 20.131,285 16.267,286 16.267,287 16.267,288 16.267,289 16.267,290 13.241,291 33.755,292 5.191,293 17.509,294 3.982,295 2.034,296 0.887,297 0.548,298 0.51,299 0.51,300 4.128,304 1,305 1,306 658,307 3.536,310 64.583,311 263.258,314 117.857,318 1.618,319 51.132,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 68.5,331 308,332 4.707,333 4.472,334 7.265,335 4.297,336 3.396,337 4.674,338 3.825,339 12.293,340 3.157,341 4.571,342 3.42,343 6.849,344 4.207,345 3.267,346 4.117,347 0.86,348 11.389,349 3.045,350 4.048,351 3.163,352 6.178,353 3.775,354 2.843,355 3.46,356 0.8,357 9.184,358 2.64,359 3.903,360 3.004,361 6.061,362 3.599,363 2.669,364 3.155,365 0.68,366 8.618,367 2.43,368 3.692,369 2.705,370 5.799,371 3.337,372 2.397,373 3.017,375 7.626,376 2.231,377 3.337,378 2.538,379 5.062,380 3.091,381 2.175,382 2.482,384 6.087,385 1.985,386 3.136,387 2.036,388 4.969,389 2.7,390 1.762,391 2.312,393 5.297,394 1.648,395 2.932,396 1.92,397 4.78,398 2.558,399 1.618,400 2.073,402 4.904,403 1.485,404 2.855,405 1.602,406 4.382,407 2.414,408 1.414,409 1.984,411 4.013,412 1.414,413 2.636,414 1.514,415 4.095,416 2.359,417 1.409,418 1.664,420 3.194,421 1.332,422 2.409,423 1.492,424 3.872,425 2.11,426 1.17,427 1.391,428 3.141,429 1.09,430 2.128,431 1.364,432 3.476,433 1.939,434 1.027,435 1.114,436 2.507,437 0.928,438 1.559,439 0.7,440 3.251,441 1.298,442 0.326,443 0.386,445 0.867,446 0.315,447 1.214,448 0.51,449 2.901,450 0.91,451 -0.053,452 -0.062,454 -0.131,455 -0.05,456 0.939,457 0.51,458 2.714,459 0.543,460 -0.397,461 -0.401,463 -0.886,464 -0.364,465 13.624,466 0.454,467 1.111,468 0.037,469 35,470 1.167,471 15,472 0.5,473 20,474 0.667,475 30.098,476 1.003,477 34.376,478 0.649,479 29.693,480 0.99,481 6.968,482 0.232,483 7.179,484 0.239,485 0.197,486 0.037,487 0.389,490 3,493 0.648,494 1.112,495 0.689,496 1.184,497 0.642,498 1.016,499 0.562,500 0.801,501 0.65,502 0.899,503 0.36,504 0.829,505 0.786,506 0.93,507 0.903,508 1.001,509 0.557,510 0.998,511 0.788,512 1.057,513 0.995,514 1.15,515 0.755,516 1.139,517 1.003,518 1.01,519 0.959,520 0.948,521 1.068,522 0.933,523 1.227,524 0.96,525 1.202,526 0.961,527 1.188,528 1.037,529 0.742,530 0.886,531 0.95,532 0.997,533 0.621,534 1.017,535 0.731,536 0.787,537 0.902,538 1.045,539 0.788,540 1.054,541 8,542 0.202,543 4.444,544 3.076,545 2.258,546 1.306,547 0.817,548 0.771,549 0.458,550 0.294,551 10752,552 35149,553 2.02,554 43.4,555 5,556 11,559 1,560 3,561 3,564 1.733,565 1.827,566 3.352,567 -0.283,573 92.544,574 1.746,575 3.694,576 4.841,577 5.18,578 5.218,579 5.218,580 2.759,581 4.682,582 4.88,583 3.525,584 1533.51,585 8.535,586 20629.6,588 1,591 303.58,592 1.715,593 4.797,594 0.242,595 0.009,596 0.089,597 0.059,598 0.046,599 0.028,600 0.019,601 0.018,602 0.012,603 0.011,604 0.534,605 0.33,606 0.88,607 0.817,608 151.913,609 -0.031,610 -0.111,611 0.041,612 -0.067,613 -0.097,614 -0.011,615 0.311,616 0.214,617 0.23,618 0.12,619 0.414,620 0.136,621 -0.069,622 -0.076,623 -0.055,624 -0.008,625 0.001,626 -0.027,627 -0.041,628 -0.113,629 -0.103,630 -0.156,631 -0.004,632 -0.15,633 -0.081,634 -0.029,635 0.031,636 0.035,637 -0.093,638 0.071,639 -0.257,640 -0.031,641 -0.253,642 -0.006,643 -0.219,644 -0.093,645 -0.035,646 -0.108,647 -0.042,648 -0.078,649 -0.009,650 -0.057,651 0.221,652 0.132,653 0.078,654 -0.101,655 0.143,656 -0.093,657 5.66,658 5.305,659 0.7,660 26.209,661 1.025,662 1.151,663 4.48,664 20.074,665 0.644,666 3.526,667 3.932,668 4.205,669 4.5,670 4.736,671 4.836,672 5.03,673 5.198,674 5.288,675 5.384,676 6.349,677 0.631,678 420.48,679 3.526,680 5.118,681 5.989,682 6.907,683 7.798,684 8.716,685 9.616,686 10.534,687 11.44,688 12.359,689 7.5,695 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,726 1,728 1,731 53,733 16,734 1,735 33,737 56,738 21,739 12,740 3,741 3,746 4,747 5,752 4,755 1,757 1,758 2,761 12,762 9,779 3,781 23,782 8,783 1,784 9,790 4,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 3,846 3,848 30,853 1,854 4,856 1,858 1,859 1,860 1,869 3,870 3.8,872 1,874 1,877 16.417,878 10.512,879 6.278,880 3.204,881 3.19,882 1.403,883 0.967,884 5.414,885 11.114,886 3.738,887 4.404,888 5.011,889 5.636,890 6.185,891 6.544,892 6.997,893 7.433,894 7.695,895 8.019,896 0.857,897 52,898 11.6,900 5.482,901 8.147,902 20.745,904 17.342,905 2.647,906 79.417,908 1,909 1,910 258.964,911 103.021,912 37.737,914 53.683,915 44.88,917 103.021,918 312.647,919 82.617,920 26.476,921 11.338,922 37.905,923 88.847,924 64.668,925 2.328,926 258.964,927 7.76,928 258.964,929 140.758,930 98.564,933 223.651,934 122.877,935 11,937 51.209,938 56.1,939 33.449,941 303.845,942 91.42,943 103.021,946 266.724,947 30.881,948 68.669,950 132.012,951 258.964,952 136.3,953 103.021,955 0.607,956 0.351,957 0.188,958 0.102,959 26,960 13,961 0.054,962 3,963 1,964 1.095,965 3.908,966 282.425,967 0.095,968 21,969 142.452,974 20.953,975 7.751,976 4.021,977 0.443,978 135.136,979 5.735,980 9.05,984 1.924,986 42.683,987 498.285,988 41,999 54.32,1000 60.998,1001 0.305,1002 0.645,1003 0.845,1004 0.904,1005 0.911,1006 0.911,1007 5.037,1008 1.618,1009 6.047,1010 5.297,1011 4.615,1012 5.091,1013 3.187,1014 6.948,1015 4.48,1016 6.292,1017 1.414,1018 7.675,1019 4.904,1020 4.511,1021 5.147,1022 3.911,1023 8.141,1024 4.239,1025 7.645,1026 1.409,1027 9.407,1028 4.013,1029 6.344,1030 7.373,1031 5.429,1032 11.211,1033 6.068,1034 9.033,1035 1.17,1036 11.201,1037 3.194,1038 6.995,1039 8.216,1040 6.69,1041 13.181,1042 6.59,1043 10.452,1044 1.027,1045 13.033,1046 3.141,1047 8.395,1048 10.003,1049 8.058,1050 15.843,1051 7.968,1052 11.894,1053 0.326,1054 14.892,1055 2.507,1056 9.362,1057 11.207,1058 9.389,1059 18.117,1060 8.827,1061 13.355,1062 -0.053,1063 16.771,1064 0.867,1065 10.617,1066 12.827,1067 10.734,1068 20.652,1069 10.038,1070 3.396,1071 -0.397,1072 18.665,1073 -0.131,1074 11.716,1075 14.202,1076 12.074,1077 23.05,1078 11.047,1079 3.267,1080 12.293,1081 20.572,1082 -0.886,1083 12.925,1084 15.758,1085 13.416,1086 25.547,1087 12.198,1088 2.843,1089 11.389,1090 22.488,1091 4.674,1092 14.079,1093 17.213,1094 14.758,1095 27.995,1096 13.273,1097 2.669,1098 9.184,1099 24.413,1100 4.117,1101 15.277,1102 18.746,1103 16.1,1104 30.483,1105 14.405,1106 2.397,1107 8.618,1108 26.344,1109 3.46,1110 16.457,1111 20.24,1112 17.441,1113 32.954,1114 15.51,1115 2.175,1116 7.626,1117 28.281,1118 3.155,1119 17.654,1120 21.767,1121 18.783,1122 35.442,1123 16.638,1124 1.762,1125 6.087,1126 30.224,1127 3.017,1128 18.846,1129 23.28,1130 20.124,1131 37.924,1132 17.757,1133 10415,1134 19027,1135 21.096,1136 34.12,1137 51.524,1138 51.259,1139 53.291,1140 51.179,1141 50.947,1142 63.66,1143 12.331,1144 158.24,1145 47.402,1146 5.707,1147 6.472,1148 6.817,1149 5.402,1150 5.396,1151 7.674,1152 5.335,1153 20.015,1154 5.157,1155 18.726,1156 1.561,1157 1.553,1158 1.615,1159 1.551,1160 1.544,1161 1.929,1162 0.374,1163 4.795,1164 1.436,1165 4.14,1166 4.188,1167 4.118,1168 3.992,1169 8.513,1170 4.012,1171 3.943,1172 3.972,1173 3.907,1174 3.839,1175 7.999,1176 3.855,1177 3.792,1178 3.846,1179 3.689,1180 3.593,1181 7.999,1182 3.607,1183 3.468,1184 3.513,1185 3.406,1186 3.328,1187 6.473,1188 3.332,1189 3.331,1190 3.386,1191 3.305,1192 3.094,1193 5.037,1194 3.105,1195 3.261,1196 3.346,1197 3.056,1198 3.062,1199 4.673,1200 3.063,1201 3.173,1202 3.258,1203 2.982,1204 3.03,1205 4.646,1206 3.007,1207 3.05,1208 3.135,1209 2.907,1210 2.804,1211 4.373,1212 2.806,1213 0.143,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.707,1219 0.142,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.297,1225 0.096,1226 3.396,1227 4.674,1228 3.825,1229 12.293,1230 3.157,1231 1.969,1232 1.946,1233 2.067,1234 2.092,1235 1.277,1236 2.069,1237 1.852,1238 1.808,1239 1.977,1240 2.028,1241 1.238,1242 2.022,1243 1.671,1244 1.624,1245 1.822,1246 1.904,1247 0.989,1248 1.882,1249 1.574,1250 1.525,1251 1.754,1252 1.742,1253 0.904,1254 1.749,1255 1.303,1256 1.218,1257 1.635,1258 1.529,1259 0.815,1260 1.571,1261 1.21,1262 1.134,1263 1.553,1264 1.463,1265 0.628,1266 1.47,1267 1.186,1268 1.127,1269 1.459,1270 1.418,1271 0.598,1272 1.425,1273 0.999,1274 0.939,1275 1.309,1276 1.298,1277 0.489,1278 1.277,1279 4.205,1281 5.587,1282 2.398,1283 7.154,1284 4.844,1285 8.805,1286 7.034,1287 10.501,1289 5.211,1291 39.916,1294 10.512,1295 2.073,1297 5.565,1299 0.04,1300 2.023,1301 -4.41,1305 33.46,1306 92.544,1307 195.766,1308 256.56,1309 274.56,1310 276.56,1311 276.56,1312 70.763,1313 7.924,1314 62.89,1315 62.89,1316 23,1317 12.87,1318 4.087,1319 3.17,1320 46.844,1321 113,1322 107,1323 0.203,1324 200.909,1325 351.03,1326 481.977,1327 29831,1328 5.7,1329 21.629,1330 0.721,1331 0.566,1332 19.129,1333 16.993,1334 14.147,1335 0.429,1336 0.296,1337 9.547,1338 13.334,1339 9.284,1340 7.622,1341 12.936,1342 9.753,1343 14.203,1344 0.284,1345 0.153,1346 12.208,1347 7.664,1348 11.254,1349 0.171,1350 0.084,1351 10.549,1352 5.537,1353 9.68,1354 0.109,1355 0.044,1356 8.696,1357 3.907,1358 7.767,1359 0.069,1360 0.023,1361 7.198,1362 2.618,1363 0.312,1364 90.546,1365 0.218,1366 27.807,1367 0.575,1368 166,1369 664.799,1370 198.155,1371 554.935,1372 735.5,1373 516,1374 199,1375 531.08,1376 225.922,1377 513.36,1378 778.45,1379 482,1380 6.7}
{0 CHEMBL2322336,1 1.806,2 10.214,3 4.132,4 17.073,5 98.97,6 8.349,7 0.516,8 3.992,9 4.102,10 3.639,11 3.457,12 5.161,13 3.486,14 4.573,15 4.737,16 4.102,17 3.853,18 6.148,19 3.877,20 4.739,21 4.922,22 4.096,23 4.011,24 5.928,25 3.998,26 4.864,27 5.074,28 4.09,29 4.038,30 6.117,31 4.006,32 4.893,33 5.137,34 3.978,35 3.941,36 6.1,37 3.907,38 4.737,39 4.95,40 3.898,41 3.825,42 5.953,43 3.822,44 4.668,45 4.884,46 3.878,47 3.758,48 5.895,49 3.752,50 4.61,51 4.842,52 3.839,53 3.614,54 6.05,55 3.601,56 0.219,57 0.921,58 7.993,59 4.327,60 28.627,61 4.856,62 1.052,63 1.772,64 18.855,65 6.985,66 143.467,67 8.282,68 0.7,69 1.652,70 21.9,71 8.54,72 53.515,73 10.618,74 0.829,75 1.88,76 26.612,77 10.012,78 77.067,79 12.366,80 1.137,81 1.771,82 32.09,83 10.175,84 140.986,85 12.422,86 1.005,87 1.45,88 25.738,89 7.604,90 120.343,91 8.975,92 0.817,93 1.371,94 22.661,95 6.613,96 69.762,97 8.735,98 1.091,99 1.352,100 23.502,101 6.635,102 98.705,103 8.957,104 27,105 46,106 0.308,107 0.641,108 0.797,109 0.826,110 0.834,111 0.834,112 3.375,113 0.861,114 -5.27,115 -5.16,116 -4.83,119 40.4,120 1,121 1,125 4,132 1,142 4,143 4,145 1,147 1,153 1,161 1,166 1,172 9,174 2,175 6,178 1,180 1,183 11,186 2,187 4,190 1,195 10,198 1,199 4,202 2,204 1,207 6,211 2,212 8,217 1,220 2,224 10,229 1,232 1,236 1,237 6,240 1,242 2,245 2,249 1,250 4,255 3,258 3,263 2,268 1,271 1,275 1178,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 16.556,282 23.632,283 10.612,284 19.176,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 12.361,291 31.454,292 5.028,293 16.527,294 3.748,295 1.797,296 0.883,297 0.713,298 0.67,299 0.67,300 4.066,304 1,305 1,306 616,307 3.391,310 59.478,311 243.435,314 108.482,318 1.587,319 48.975,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 286,332 4.648,333 4.472,334 7.265,335 4.289,336 3.394,337 4.604,338 3.825,339 12.291,340 3.122,341 4.568,342 3.341,343 6.725,344 4.137,345 3.2,346 4.117,347 0.86,348 10.95,349 2.988,350 3.986,351 3.108,352 6.12,353 3.705,354 2.772,355 3.342,356 0.8,357 8.967,358 2.571,359 3.886,360 2.948,361 6.053,362 3.578,363 2.651,364 3.151,365 0.68,366 8.592,367 2.413,368 3.612,369 2.544,370 5.594,371 3.201,372 2.259,373 2.976,375 7.127,376 2.108,377 3.021,378 2.283,379 4.801,380 2.729,381 1.82,382 2.114,384 4.946,385 1.65,386 2.945,387 1.975,388 4.537,389 2.56,390 1.622,391 2.08,393 4.671,394 1.487,395 2.857,396 1.569,397 4.407,398 2.414,399 1.414,400 1.994,402 3.84,403 1.414,404 2.713,405 1.515,406 3.874,407 2.238,408 1.304,409 1.796,411 3.171,412 1.212,413 2.48,414 1.465,415 3.754,416 2.132,417 1.223,418 1.475,420 2.933,421 1.1,422 2.155,423 1.256,424 3.447,425 1.952,426 1,427 1.101,428 2.226,429 0.946,430 2,431 1.041,432 3.247,433 1.804,434 0.892,435 1,436 2.136,437 0.808,438 1.474,439 0.652,440 3.156,441 1.223,442 0.241,443 0.284,445 0.625,446 0.235,447 1.117,448 0.51,449 2.778,450 0.735,451 -0.204,452 -0.253,454 -0.516,455 -0.189,456 0.937,457 0.51,458 2.693,459 0.536,460 -0.413,461 -0.533,463 -1.094,464 -0.391,465 12.624,466 0.451,467 0.916,468 0.033,469 34,470 1.214,471 15,472 0.536,473 19,474 0.679,475 24.597,476 0.878,477 31.776,478 0.676,479 28.095,480 1.003,481 6.935,482 0.248,483 6.407,484 0.229,485 0.134,486 0.04,487 0.341,490 3,493 0.657,494 1.087,495 0.649,496 1.154,497 0.633,498 0.974,499 0.597,500 0.766,501 0.703,502 0.875,503 0.38,504 0.844,505 0.693,506 0.91,507 0.857,508 1.022,509 0.531,510 1.014,511 0.786,512 1.065,513 0.965,514 1.168,515 0.788,516 1.145,517 1.093,518 1.054,519 1.039,520 0.973,521 1.177,522 0.975,523 1.268,524 0.981,525 1.186,526 0.906,527 1.215,528 0.968,529 0.853,530 0.913,531 1.004,532 0.964,533 0.711,534 1,535 0.788,536 0.669,537 0.918,538 0.922,539 0.895,540 0.973,541 6.5,542 0.169,543 4,544 2.444,545 1.747,546 1.09,547 0.652,548 0.506,549 0.375,550 0.259,551 9296,552 32355,553 2.064,554 40.4,555 5,556 12,558 1,559 1,564 1.713,565 1.898,566 3.335,567 -0.252,569 1,573 84.89,574 1.806,575 3.757,576 4.671,577 4.842,578 4.884,579 4.884,580 2.751,581 4.423,582 4.782,583 3.499,584 1322.46,585 8.327,586 17027.8,588 1,590 1,591 261.066,592 1.656,593 4.716,594 0.21,595 0.008,596 0.087,597 0.052,598 0.04,599 0.028,600 0.018,601 0.014,602 0.012,603 0.011,604 0.48,605 0.33,606 1,607 0.787,608 139.052,609 -0.043,610 -0.118,611 0.037,612 -0.074,613 -0.091,614 -0.013,615 0.274,616 0.242,617 0.147,618 0.125,619 0.394,620 0.09,621 -0.034,622 -0.079,623 -0.032,624 -0.033,625 0.022,626 -0.036,627 -0.028,628 -0.136,629 -0.07,630 -0.173,631 -0.01,632 -0.147,633 -0.121,634 -0.053,635 -0.023,636 0.011,637 -0.141,638 0.035,639 -0.279,640 -0.039,641 -0.222,642 0.033,643 -0.223,644 -0.031,645 -0.085,646 -0.134,647 -0.088,648 -0.076,649 -0.029,650 -0.069,651 0.24,652 0.301,653 0.1,654 0.006,655 0.114,656 -0.022,657 5.652,658 5.195,659 0.75,660 23.719,661 1.033,662 1.153,663 4.043,664 16.344,665 0.651,666 3.466,667 3.85,668 4.127,669 4.407,670 4.615,671 4.71,672 4.905,673 5.037,674 5.124,675 5.231,676 6.203,677 0.647,678 392.42,679 3.466,680 5.043,681 5.911,682 6.819,683 7.704,684 8.614,685 9.507,686 10.417,687 11.315,688 12.225,689 8.5,695 1,697 1,699 2,703 1,704 5,705 2,709 6,711 16,726 1,728 1,731 47,733 16,734 1,735 31,737 50,738 19,739 12,740 3,741 3,746 4,747 5,752 2,757 1,758 1,761 12,762 7,778 1,779 3,781 19,782 8,783 1,784 9,790 4,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 1,846 3,848 28,853 1,854 5,856 1,859 1,860 1,869 3,870 4.3,872 1,874 1,877 14.75,878 8.762,879 5.917,880 2.769,881 3.2,882 1.412,883 0.979,884 4.94,885 10.967,886 3.689,887 4.341,888 4.957,889 5.57,890 6.091,891 6.45,892 6.897,893 7.304,894 7.567,895 7.924,896 0.857,897 47,898 10.83,900 5.153,901 8.211,902 19.214,904 16.024,905 2.711,906 75.917,909 1,910 211.88,911 96.253,912 37.737,914 53.683,915 44.88,917 96.253,918 265.563,919 82.617,920 8.825,921 15.931,922 37.905,923 100.618,924 70.958,925 2.328,926 200.109,927 7.76,928 211.88,929 133.99,930 98.564,933 211.88,934 87.564,935 11,937 44.442,938 56.1,939 33.449,941 256.76,942 91.42,943 96.253,946 219.639,947 32.716,948 60.066,950 132.012,951 211.88,952 136.3,953 96.253,955 0.6,956 0.349,957 0.187,958 0.098,959 24,960 11,961 0.06,962 3,963 1,964 1.095,965 3.838,966 253.819,967 0.095,968 21,969 125.851,974 19.037,975 7.266,976 3.701,977 0.429,978 135.136,979 7.214,980 8.745,984 1.249,986 42.683,987 444.434,988 39,999 48.552,1000 54.168,1001 0.325,1002 0.676,1003 0.841,1004 0.872,1005 0.879,1006 0.879,1007 4.97,1008 1.414,1009 5.953,1010 4.671,1011 4.533,1012 5.027,1013 3.187,1014 6.843,1015 4.392,1016 6.213,1017 1.304,1018 7.571,1019 3.84,1020 4.369,1021 5.027,1022 3.911,1023 8.042,1024 4.08,1025 7.559,1026 1.223,1027 9.3,1028 3.171,1029 6.248,1030 7.305,1031 5.429,1032 11.104,1033 5.963,1034 8.943,1035 1,1036 11.093,1037 2.933,1038 6.878,1039 8.12,1040 6.69,1041 13.086,1042 6.451,1043 10.361,1044 0.892,1045 12.928,1046 2.226,1047 8.297,1048 9.926,1049 8.058,1050 15.737,1051 7.849,1052 11.802,1053 0.241,1054 14.791,1055 2.136,1056 9.254,1057 11.109,1058 9.389,1059 18.013,1060 8.687,1061 13.261,1062 -0.204,1063 16.673,1064 0.625,1065 10.515,1066 12.732,1067 10.734,1068 20.542,1069 9.903,1070 3.394,1071 -0.413,1072 18.57,1073 -0.516,1074 11.608,1075 14.087,1076 12.074,1077 22.937,1078 10.895,1079 3.2,1080 12.291,1081 20.479,1082 -1.094,1083 12.818,1084 15.638,1085 13.416,1086 25.431,1087 12.042,1088 2.772,1089 10.95,1090 22.397,1091 4.604,1092 13.968,1093 17.075,1094 14.758,1095 27.878,1096 13.102,1097 2.651,1098 8.967,1099 24.323,1100 4.117,1101 15.164,1102 18.598,1103 16.1,1104 30.364,1105 14.227,1106 2.259,1107 8.592,1108 26.256,1109 3.342,1110 16.341,1111 20.074,1112 17.441,1113 32.835,1114 15.318,1115 1.82,1116 7.127,1117 28.194,1118 3.151,1119 17.536,1120 21.588,1121 18.783,1122 35.323,1123 16.436,1124 1.622,1125 4.946,1126 30.137,1127 2.976,1128 18.725,1129 23.083,1130 20.124,1131 37.806,1132 17.543,1133 8921,1134 16807,1135 20.285,1136 30.597,1137 47.98,1138 47.7,1139 48.799,1140 47.854,1141 47.581,1142 60.071,1143 12.331,1144 144.95,1145 44.11,1146 5.648,1147 6.472,1148 7.067,1149 5.393,1150 5.394,1151 7.604,1152 5.335,1153 20.012,1154 5.122,1155 15.109,1156 1.548,1157 1.539,1158 1.574,1159 1.544,1160 1.535,1161 1.938,1162 0.398,1163 4.676,1164 1.423,1165 4.128,1166 4.177,1167 4.105,1168 3.981,1169 8.513,1170 3.999,1171 3.942,1172 3.971,1173 3.907,1174 3.832,1175 7.999,1176 3.85,1177 3.754,1178 3.812,1179 3.648,1180 3.538,1181 7.999,1182 3.556,1183 3.419,1184 3.457,1185 3.387,1186 3.263,1187 6.473,1188 3.271,1189 3.284,1190 3.329,1191 3.245,1192 3.045,1193 5.051,1194 3.069,1195 3.168,1196 3.256,1197 2.98,1198 2.994,1199 4.673,1200 2.992,1201 3.111,1202 3.206,1203 2.913,1204 2.941,1205 4.631,1206 2.91,1207 3.007,1208 3.08,1209 2.866,1210 2.7,1211 4.36,1212 2.738,1213 0.15,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.648,1219 0.149,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.289,1225 0.101,1226 3.394,1227 4.604,1228 3.825,1229 12.291,1230 3.122,1231 1.967,1232 1.944,1233 2.065,1234 2.089,1235 1.27,1236 2.067,1237 1.846,1238 1.802,1239 1.956,1240 2.026,1241 1.208,1242 2.016,1243 1.627,1244 1.575,1245 1.79,1246 1.878,1247 0.956,1248 1.855,1249 1.479,1250 1.435,1251 1.626,1252 1.653,1253 0.825,1254 1.644,1255 1.21,1256 1.133,1257 1.551,1258 1.422,1259 0.75,1260 1.469,1261 1.153,1262 1.064,1263 1.513,1264 1.417,1265 0.603,1266 1.429,1267 1.086,1268 1.042,1269 1.218,1270 1.376,1271 0.284,1272 1.33,1273 0.935,1274 0.863,1275 1.114,1276 1.245,1277 0.248,1278 1.216,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.843,1287 10.4,1289 1.466,1291 39.584,1294 10.321,1295 2.683,1297 5.337,1300 1.996,1301 -4.402,1305 30.406,1306 84.89,1307 176.595,1308 219.556,1309 227.556,1310 229.556,1311 229.556,1312 61.335,1313 7.767,1314 62.89,1315 62.89,1316 23,1317 12.743,1318 4.087,1319 3.17,1320 42.326,1321 104,1322 101,1323 0.2,1324 181.724,1325 316.43,1326 435.166,1327 25072,1328 6.4,1329 19.889,1330 0.71,1331 0.543,1332 17.389,1333 15.2,1334 13.342,1335 0.43,1336 0.287,1337 8.683,1338 12.521,1339 8.547,1340 6.966,1341 12.131,1342 8.894,1343 13.03,1344 0.283,1345 0.147,1346 11.035,1347 6.741,1348 10.509,1349 0.172,1350 0.082,1351 9.804,1352 4.98,1353 9.037,1354 0.112,1355 0.043,1356 8.053,1357 3.446,1358 7.015,1359 0.07,1360 0.022,1361 6.447,1362 2.245,1363 0.31,1364 85.856,1365 0.222,1366 26.366,1367 0.563,1368 154,1369 650.799,1370 185.158,1371 539.751,1372 710.69,1373 502,1374 184,1375 505.819,1376 210.09,1377 487.992,1378 740.51,1379 458,1380 6.5}
{0 CHEMBL2322337,1 1.757,2 10.214,3 4.539,4 20.604,5 97.761,6 8.939,7 0.71,8 3.904,9 4.006,10 3.608,11 3.456,12 5.168,13 3.479,14 4.421,15 4.562,16 4.071,17 3.835,18 6.115,19 3.856,20 4.577,21 4.732,22 4.066,23 3.968,24 5.875,25 3.963,26 4.734,27 4.923,28 4.062,29 3.975,30 6.076,31 3.963,32 4.766,33 4.99,34 3.947,35 3.891,36 6.064,37 3.871,38 4.614,39 4.819,40 3.867,41 3.776,42 5.914,43 3.778,44 4.514,45 4.723,46 3.835,47 3.691,48 5.814,49 3.697,50 4.433,51 4.642,52 3.799,53 3.554,54 5.997,55 3.556,56 0.191,57 0.872,58 5.72,59 3.816,60 29.294,61 3.9,62 0.854,63 1.726,64 12.674,65 6.23,66 135.94,67 6.662,68 0.469,69 1.551,70 14.4,71 7.5,72 52.482,73 8.334,74 0.696,75 1.793,76 20.127,77 8.907,78 82.597,79 9.789,80 0.991,81 1.763,82 26.189,83 9.711,84 149.062,85 10.633,86 0.851,87 1.449,88 20.878,89 7.385,90 121.112,91 7.698,92 0.609,93 1.322,94 17.338,95 6.103,96 61.49,97 7.054,98 0.92,99 1.378,100 17.106,101 5.905,102 90.295,103 6.956,104 27,105 46,106 0.301,107 0.631,108 0.78,109 0.845,110 0.853,111 0.853,112 3.375,113 0.82,114 -5.23,115 -5.12,116 -4.79,119 46.5,120 1,121 1,132 1,142 6,143 5,145 3,146 1,153 1,161 1,166 1,172 11,174 1,175 8,178 1,180 1,183 13,186 1,187 7,190 1,195 12,199 4,202 1,204 2,207 7,211 1,212 10,217 3,220 5,224 11,229 1,232 4,236 1,237 4,240 1,242 2,245 6,249 1,250 1,255 3,258 10,263 1,268 1,271 8,275 1178,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 15.843,282 13.177,283 10.612,284 18.979,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 11.392,291 14.887,292 5.028,293 16.216,294 3.67,295 1.748,296 0.878,297 0.5,298 0.454,299 0.454,300 4.066,304 1,305 1,306 616,307 3.391,310 59.478,311 243.435,314 108.482,318 1.587,319 46.972,322 1,323 1,324 1,325 0.4,326 0.5,327 1,328 1,329 0.84,330 63.5,331 286,332 4.653,333 4.472,334 7.265,335 4.29,336 3.394,337 4.613,338 3.825,339 12.291,340 3.124,341 4.569,342 3.316,343 6.725,344 4.144,345 3.2,346 4.117,347 0.68,348 10.95,349 3.01,350 4.121,351 3.048,352 6.12,353 3.748,354 2.772,355 3.709,357 8.967,358 2.704,359 3.927,360 2.745,361 6.053,362 3.593,363 2.651,364 3.211,366 8.592,367 2.435,368 3.636,369 2.522,370 5.594,371 3.205,372 2.259,373 3.028,375 7.127,376 2.12,377 3.303,378 1.975,379 4.801,380 2.766,381 1.82,382 2.683,384 4.946,385 1.72,386 2.947,387 1.824,388 4.537,389 2.56,390 1.622,391 2.091,393 4.671,394 1.487,395 2.858,396 1.515,397 4.407,398 2.414,399 1.414,400 1.998,402 3.84,403 1.414,404 2.767,405 1.469,406 3.874,407 2.243,408 1.304,409 1.888,411 3.171,412 1.218,413 2.66,414 1.266,415 3.754,416 2.177,417 1.223,418 1.727,420 2.933,421 1.161,422 2.5,423 1,424 3.447,425 1.984,426 1,427 1.5,428 2.226,429 0.983,430 2.341,431 0.951,432 3.247,433 1.831,434 0.892,435 1.273,436 2.136,437 0.834,438 1.48,439 0.649,440 3.156,441 1.224,442 0.241,443 0.285,445 0.625,446 0.236,447 1.132,448 0.51,449 2.778,450 0.739,451 -0.204,452 -0.257,454 -0.516,455 -0.189,456 0.939,457 0.51,458 2.693,459 0.536,460 -0.413,461 -0.534,463 -1.094,464 -0.391,465 12.79,466 0.457,467 0.916,468 0.033,469 38.75,470 1.384,471 20.5,472 0.732,473 18.25,474 0.652,475 21.364,476 0.763,477 29.81,478 0.693,479 31.327,480 1.119,481 7.908,482 0.282,483 5.434,484 0.194,485 0.132,486 0.039,487 0.344,490 3,493 0.606,494 0.926,495 0.606,496 0.956,497 0.645,498 0.846,499 0.418,500 0.758,501 0.609,502 0.882,503 0.376,504 0.846,505 0.629,506 0.919,507 0.822,508 1.082,509 0.56,510 1.055,511 0.913,512 1.062,513 1.028,514 1.155,515 0.855,516 1.142,517 1.238,518 1.046,519 1.139,520 0.969,521 1.264,522 0.994,523 1.267,524 0.973,525 1.187,526 0.891,527 1.2,528 0.954,529 0.846,530 0.87,531 0.961,532 0.905,533 0.689,534 0.935,535 0.82,536 0.63,537 0.981,538 0.889,539 1.013,540 0.986,541 6.5,542 0.169,543 4,544 2.444,545 1.747,546 1.09,547 0.652,548 0.506,549 0.375,550 0.259,551 9296,552 33808,553 2.064,554 34.9,555 5,556 6,558 3,559 1,564 1.713,565 1.898,566 3.335,567 -0.288,573 75.533,574 1.757,575 3.678,576 4.548,577 4.926,578 4.973,579 4.973,580 2.751,581 4.423,582 4.782,583 3.499,584 1322.46,585 8.327,586 17027.8,588 1,591 233.329,592 1.656,593 4.716,594 0.21,595 0.008,596 0.087,597 0.052,598 0.04,599 0.028,600 0.018,601 0.014,602 0.012,603 0.011,604 0.48,605 0.33,606 1,607 0.787,608 139.052,609 -0.032,610 -0.043,611 0.018,612 0.004,613 -0.112,614 0.019,615 0.398,616 0.252,617 0.166,618 0.08,619 0.42,620 0.039,621 -0.012,622 -0.103,623 -0.051,624 -0.133,625 0.013,626 -0.12,627 -0.086,628 -0.153,629 -0.116,630 -0.187,631 -0.039,632 -0.167,633 -0.178,634 -0.035,635 -0.072,636 0.04,637 -0.175,638 0.04,639 -0.265,640 -0.039,641 -0.195,642 0.058,643 -0.219,644 0.003,645 -0.097,646 -0.095,647 -0.026,648 -0.02,649 -0.026,650 0.01,651 0.285,652 0.405,653 0.046,654 0.059,655 0.077,656 -0.042,657 5.661,658 5.187,659 0.75,660 23.719,661 1.034,662 1.143,663 3.996,664 15.972,665 0.689,666 3.466,667 3.85,668 4.127,669 4.407,670 4.615,671 4.71,672 4.905,673 5.037,674 5.124,675 5.231,676 6.203,677 0.689,678 384.39,679 3.466,680 5.043,681 5.911,682 6.819,683 7.704,684 8.614,685 9.507,686 10.417,687 11.315,688 12.225,689 9.3,697 1,699 3,703 1,704 9,705 3,709 7,711 22,728 1,731 43,733 22,734 1,735 31,737 46,738 20,739 17,740 3,741 3,746 4,747 5,752 2,757 1,758 1,761 17,762 3,778 1,779 3,781 15,782 7,783 1,784 8,790 4,794 0.75,795 1,803 1,805 1,806 1,811 1,812 3,815 1,840 3,844 1,846 3,848 28,853 1,854 1,860 1,869 3,870 2.3,872 1,877 14.75,878 8.179,879 5.917,880 2.437,881 4.121,882 1.531,883 1,884 4.465,885 11.888,886 3.761,887 4.446,888 5.087,889 5.715,890 6.268,891 6.622,892 7.131,893 7.591,894 7.954,895 8.361,896 0.857,897 47,898 10.778,900 5.136,901 8.253,902 18.887,904 15.627,905 2.753,906 77.083,909 1,910 164.795,911 123.519,912 51.398,914 42.683,915 44.88,917 123.519,918 207.479,919 96.278,920 8.825,921 2.535,922 56.857,923 129.946,924 91.871,926 129.482,927 7.76,928 164.795,929 174.917,930 87.564,933 164.795,934 87.564,937 51.898,938 72.785,939 50.234,941 209.676,942 94.081,943 123.519,946 172.555,947 22.934,948 93.989,950 137.798,951 164.795,952 138.962,953 123.519,955 0.6,956 0.349,957 0.187,958 0.098,959 24,960 11,961 0.065,962 3,963 1,964 1.095,965 3.838,966 253.819,967 0.095,968 21,969 125.851,974 18.305,975 6.83,976 3.438,977 0.392,978 137.798,979 13.845,980 12.63,984 1.835,986 42.683,987 427.276,988 42,999 44.458,1000 49.128,1001 0.324,1002 0.678,1003 0.838,1004 0.908,1005 0.916,1006 0.916,1007 5.021,1008 1.414,1009 5.953,1010 4.671,1011 4.533,1012 5.133,1013 3.08,1014 6.843,1015 4.424,1016 6.281,1017 1.304,1018 7.571,1019 3.84,1020 4.369,1021 5.075,1022 3.903,1023 8.042,1024 4.116,1025 7.628,1026 1.223,1027 9.3,1028 3.171,1029 6.248,1030 7.435,1031 5.422,1032 11.104,1033 6.019,1034 9.013,1035 1,1036 11.093,1037 2.933,1038 6.878,1039 8.186,1040 6.69,1041 13.086,1042 6.507,1043 10.43,1044 0.892,1045 12.928,1046 2.226,1047 8.297,1048 10.045,1049 8.058,1050 15.737,1051 7.921,1052 11.869,1053 0.241,1054 14.791,1055 2.136,1056 9.254,1057 11.18,1058 9.388,1059 18.013,1060 8.757,1061 13.326,1062 -0.204,1063 16.673,1064 0.625,1065 10.515,1066 12.83,1067 10.734,1068 20.542,1069 9.982,1070 3.394,1071 -0.413,1072 18.57,1073 -0.516,1074 11.608,1075 14.155,1076 12.074,1077 22.937,1078 10.972,1079 3.2,1080 12.291,1081 20.479,1082 -1.094,1083 12.818,1084 15.717,1085 13.416,1086 25.431,1087 12.124,1088 2.772,1089 10.95,1090 22.397,1091 4.613,1092 13.968,1093 17.135,1094 14.758,1095 27.878,1096 13.183,1097 2.651,1098 8.967,1099 24.323,1100 4.117,1101 15.164,1102 18.662,1103 16.1,1104 30.364,1105 14.309,1106 2.259,1107 8.592,1108 26.256,1109 3.709,1110 16.341,1111 20.127,1112 17.441,1113 32.835,1114 15.399,1115 1.82,1116 7.127,1117 28.194,1118 3.211,1119 17.536,1120 21.642,1121 18.783,1122 35.323,1123 16.518,1124 1.622,1125 4.946,1126 30.137,1127 3.028,1128 18.725,1129 23.132,1130 20.124,1131 37.806,1132 17.624,1133 8921,1134 17167,1135 20.285,1136 29.62,1137 48.296,1138 47.695,1139 48.799,1140 47.869,1141 47.581,1142 64.251,1143 9.011,1144 144.95,1145 44.891,1146 5.442,1147 6.472,1148 7.067,1149 5.362,1150 5.394,1151 7.613,1152 5.335,1153 20.012,1154 5.124,1155 15.109,1156 1.558,1157 1.539,1158 1.574,1159 1.544,1160 1.535,1161 2.073,1162 0.291,1163 4.676,1164 1.448,1165 4.135,1166 4.181,1167 4.113,1168 3.996,1169 8.513,1170 4.014,1171 3.947,1172 3.974,1173 3.91,1174 3.863,1175 7.999,1176 3.871,1177 3.823,1178 3.867,1179 3.77,1180 3.696,1181 7.999,1182 3.711,1183 3.416,1184 3.456,1185 3.39,1186 3.27,1187 6.473,1188 3.278,1189 3.281,1190 3.326,1191 3.247,1192 3.045,1193 5.066,1194 3.07,1195 3.168,1196 3.255,1197 2.978,1198 2.995,1199 4.878,1200 2.993,1201 2.989,1202 3.066,1203 2.907,1204 2.735,1205 4.673,1206 2.751,1207 2.854,1208 2.925,1209 2.706,1210 2.714,1211 4.35,1212 2.715,1213 0.15,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.653,1219 0.149,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.29,1225 0.101,1226 3.394,1227 4.613,1228 3.825,1229 12.291,1230 3.124,1231 1.972,1232 1.948,1233 2.067,1234 2.091,1235 1.269,1236 2.072,1237 1.911,1238 1.881,1239 1.99,1240 2.026,1241 1.071,1242 2.023,1243 1.682,1244 1.639,1245 1.769,1246 1.871,1247 0.898,1248 1.845,1249 1.479,1250 1.435,1251 1.622,1252 1.653,1253 0.699,1254 1.644,1255 1.21,1256 1.133,1257 1.551,1258 1.421,1259 0.603,1260 1.469,1261 1.085,1262 1.041,1263 1.216,1264 1.416,1265 0.283,1266 1.328,1267 0.935,1268 0.866,1269 1.181,1270 1.204,1271 0.218,1272 1.187,1273 0.886,1274 0.821,1275 1.098,1276 1.062,1277 0.144,1278 1.107,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.843,1287 10.4,1289 1.456,1291 39.561,1294 10.294,1295 0.214,1301 -4.411,1305 29.638,1306 75.533,1307 158.171,1308 195.555,1309 211.82,1310 213.82,1311 213.82,1312 60.062,1313 7.767,1314 63.31,1315 63.31,1316 23,1317 12.743,1318 4.524,1319 3.585,1320 42.326,1321 104,1322 101,1323 0.2,1324 178.538,1325 306.12,1326 427.392,1327 25072,1328 7,1329 19.889,1330 0.71,1331 0.528,1332 17.389,1333 14.773,1334 13.342,1335 0.43,1336 0.273,1337 8.311,1338 12.687,1339 8.152,1340 6.712,1341 12.131,1342 8.471,1343 13.03,1344 0.283,1345 0.139,1346 11.035,1347 6.405,1348 10.509,1349 0.172,1350 0.076,1351 9.804,1352 4.634,1353 9.037,1354 0.112,1355 0.039,1356 8.053,1357 3.175,1358 7.015,1359 0.07,1360 0.02,1361 6.447,1362 2.049,1363 0.31,1364 84.781,1365 0.222,1366 26.366,1367 0.563,1368 154,1369 639.063,1370 181.197,1371 541.689,1372 717.4,1373 502,1374 184,1375 517.478,1376 205.823,1377 505.14,1378 760.21,1379 474,1380 6.3}
{0 CHEMBL2322338,1 1.695,2 9.37,3 5.389,4 29.041,5 105.574,6 9.286,7 0.733,8 3.886,9 3.985,10 3.641,11 3.514,12 5.067,13 3.494,14 4.373,15 4.515,16 4.051,17 3.906,18 5.522,19 3.869,20 4.601,21 4.769,22 4.272,23 4.043,24 5.79,25 3.984,26 4.635,27 4.814,28 4.067,29 4.015,30 5.764,31 3.944,32 4.621,33 4.804,34 4.028,35 3.996,36 5.71,37 3.926,38 4.679,39 4.857,40 4.174,41 4.006,42 5.871,43 3.957,44 4.678,45 4.869,46 4.109,47 3.99,48 5.846,49 3.896,50 4.565,51 4.78,52 3.876,53 3.867,54 5.669,55 3.726,56 0.086,57 0.616,58 5.601,59 3.42,60 9.056,61 4.027,62 0.183,63 0.991,64 11.763,65 5.854,66 14.751,67 7.234,68 0.377,69 1.183,70 23.37,71 7.783,72 38.798,73 9.289,74 0.402,75 1.213,76 23.917,77 7.843,78 39.541,79 9.138,80 0.313,81 1.202,82 22.649,83 8.15,84 32.411,85 9.9,86 0.476,87 1.24,88 21.524,89 8.08,90 50.17,91 9.139,92 0.536,93 1.181,94 25.515,95 8.858,96 54.254,97 10.513,98 0.429,99 1.001,100 28.522,101 9.053,102 49.3,103 11.259,104 18,105 43,106 0.291,107 0.655,108 0.802,109 0.863,110 0.863,111 0.863,112 3.341,113 0.928,114 -5.6,115 -5.47,116 -5.11,119 46.5,120 1,121 2,142 6,143 3,144 2,145 2,146 2,153 1,161 1,166 1,172 8,174 1,175 9,178 1,180 1,183 9,186 1,187 9,190 1,195 13,199 6,202 1,204 2,207 10,211 1,212 8,217 4,220 9,224 8,229 2,232 9,236 1,237 7,240 1,242 1,245 11,249 1,250 1,255 2,258 10,263 2,268 2,271 8,275 1093,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 15.65,282 12.325,283 10.665,284 18.84,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 10.668,291 11.146,292 4.972,293 15.657,294 3.731,295 1.608,296 0.75,297 0.39,298 0.39,299 0.39,300 4.036,301 2,304 1,305 1,306 547,307 2.646,310 55.972,311 228.979,314 102.799,318 1.421,319 26.333,322 0.75,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.84,330 57.667,331 253,332 4.715,333 3.486,334 6.871,335 4.24,336 3.286,337 4.684,338 0.68,339 11.501,340 3.138,341 4.318,342 3.335,343 6.344,344 3.87,345 2.947,346 3.982,348 9.471,349 2.776,350 4.151,351 2.884,352 6.147,353 3.754,354 2.783,355 3.745,357 9.052,358 2.618,359 3.783,360 2.631,361 5.859,362 3.356,363 2.412,364 3.252,366 7.864,367 2.263,368 3.346,369 2.443,370 5.115,371 2.902,372 1.971,373 2.718,375 5.805,376 1.807,377 3.263,378 2.076,379 5.02,380 2.789,381 1.864,382 2.521,384 5.574,385 1.677,386 3.166,387 1.885,388 4.543,389 2.704,390 1.749,391 2.424,393 4.593,394 1.659,395 2.867,396 1.786,397 4.217,398 2.36,399 1.414,400 2.029,402 3.446,403 1.285,404 2.684,405 1.487,406 3.87,407 2.195,408 1.244,409 1.767,411 3.174,412 1.173,413 2.5,414 1.178,415 3.548,416 2.024,417 1.084,418 1.5,420 2.669,421 1.009,422 2.455,423 1.029,424 3.247,425 1.984,426 1,427 1.44,428 2.136,429 0.983,430 1.75,431 1,432 3.237,433 1.497,434 0.537,435 0.632,436 1.169,437 0.507,438 1.477,439 0.643,440 2.85,441 1.147,442 0.319,443 0.355,445 0.605,446 0.214,447 1.167,448 0.182,449 2.641,450 0.751,451 -0.101,452 -0.122,454 -0.212,455 -0.081,456 1.038,457 -0.022,458 2.585,459 0.573,460 -0.328,461 -0.429,463 -0.819,464 -0.281,465 13.362,466 0.495,467 0.678,468 0.025,469 38,470 1.407,471 20.5,472 0.759,473 17.5,474 0.648,475 22.42,476 0.83,477 27.438,478 0.638,479 27.027,480 1.001,481 7.335,482 0.272,483 5.744,484 0.213,485 0.169,487 0.367,493 0.72,494 1.129,495 0.529,496 0.807,497 0.809,498 0.782,499 0.631,500 1.179,501 0.578,502 0.842,503 0.606,504 0.824,505 0.885,506 1.058,507 0.728,508 0.834,509 0.827,510 0.846,511 1.203,512 1.01,513 1.131,514 1.007,515 1.057,516 1.027,517 0.993,518 1.098,519 0.943,520 1.046,521 0.898,522 1.023,523 1.252,524 1.091,525 0.758,526 0.905,527 1.422,528 0.926,529 1.095,530 0.961,531 0.976,532 1.012,533 1.276,534 1.053,535 0.959,536 0.844,537 1.204,538 1.105,539 0.973,540 1.108,541 5,542 0.078,543 3.556,544 2.139,545 1.814,546 1.118,547 0.77,548 0.506,549 0.28,550 0.146,551 8117,552 26333,553 2.097,554 37.2,555 5,556 6,558 2,559 1,560 2,564 1.708,565 1.952,566 3.227,567 -0.309,573 72.891,574 1.695,575 3.818,576 4.676,577 5.037,578 5.037,579 5.037,580 2.683,581 4.459,582 4.727,583 3.353,584 1177,585 8.242,586 14629,591 233.329,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.046,598 0.044,599 0.027,600 0.018,601 0.014,602 0.01,603 0.007,604 0.422,605 0.17,606 0.88,607 0.76,608 131.193,609 -0.018,610 -0.043,611 0.007,612 0.011,613 -0.106,614 0.016,615 0.086,616 -0.108,617 0.076,618 0.017,619 0.037,620 0.036,621 0.06,622 -0.021,623 0.153,624 0.089,625 0.082,626 0.064,627 -0.202,628 0.042,629 -0.205,630 -0.086,631 -0.126,632 -0.121,633 -0.104,634 -0.081,635 -0.107,636 -0.118,637 -0.042,638 -0.087,639 -0.086,640 -0.063,641 0.031,642 0.007,643 -0.106,644 -0.023,645 0.028,646 0.009,647 -0.014,648 -0.036,649 -0.056,650 -0.084,651 0.024,652 0.043,653 -0.05,654 -0.043,655 0.044,656 -0.039,657 1.634,658 4.509,659 0.778,660 22.499,661 1.013,662 1.116,663 4.373,664 19.126,665 0.733,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.796,672 4.956,673 5.118,674 5.209,675 5.231,676 5.725,677 0.701,678 399.3,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.47,686 10.381,687 11.291,688 12.205,689 9.3,697 1,699 3,703 1,704 8,705 3,709 8,711 22,728 1,730 2,731 43,733 22,734 1,735 30,737 46,738 20,739 17,740 3,741 3,746 4,747 5,748 2,752 1,758 2,761 17,762 3,781 16,782 4,783 1,784 7,785 2,790 4,794 0.75,795 1,803 1,805 1,806 1,811 1,812 3,815 1,840 3,844 1,845 2,848 27,853 1,854 2,869 2,870 2.3,872 1,877 13.833,878 8.202,879 5.944,880 2.677,881 4.009,882 1.524,883 0.995,884 4.938,885 11.658,886 3.738,887 4.422,888 5.087,889 5.725,890 6.317,891 6.694,892 7.184,893 7.688,894 8.06,895 8.415,896 1,897 46,898 9.933,900 4.274,901 7.767,902 18.802,904 15.503,905 2.267,906 61.222,910 176.567,911 112.633,912 51.398,913 78.297,914 42.683,917 112.633,918 297.547,919 51.398,920 8.825,921 5.069,922 56.857,923 118.175,924 41.33,926 153.024,927 78.297,928 176.567,929 164.031,930 42.683,931 78.297,933 176.567,934 42.683,937 40.382,938 73.415,939 128.531,941 176.567,942 94.081,943 190.931,946 176.567,947 28.856,948 84.941,950 171.215,951 176.567,952 94.081,953 190.931,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.087,962 4,963 1,964 1.095,965 3.762,966 243.595,967 0.095,968 21,969 124.382,974 18.083,975 7.373,976 3.353,977 0.606,978 92.917,979 14.252,980 13.319,984 5.271,986 42.683,987 461.579,988 41,999 43.567,1000 47.997,1001 0.312,1002 0.704,1003 0.862,1004 0.928,1005 0.928,1006 0.928,1007 4.973,1008 1.414,1009 5.866,1010 4.593,1011 4.466,1012 5.109,1013 0.655,1014 6.723,1015 4.348,1016 6.215,1017 1.244,1018 7.456,1019 3.446,1020 4.111,1021 5.007,1023 7.7,1024 3.884,1025 7.548,1026 1.084,1027 9.148,1028 3.174,1029 6.103,1030 7.42,1031 0.356,1032 10.837,1033 5.89,1034 8.922,1035 1,1036 10.897,1037 2.669,1038 6.581,1039 8.161,1041 12.638,1042 6.266,1043 10.328,1044 0.537,1045 12.684,1046 2.136,1047 8.047,1048 10.042,1049 0.18,1050 15.295,1051 7.736,1052 11.758,1053 0.319,1054 14.495,1055 1.169,1056 8.899,1057 11.186,1059 17.441,1060 8.505,1061 13.207,1062 -0.101,1063 16.324,1064 0.605,1065 10.166,1066 12.85,1067 0.087,1068 19.934,1069 9.756,1070 3.286,1071 -0.328,1072 18.166,1073 -0.212,1074 11.187,1075 14.192,1077 22.233,1078 10.71,1079 2.947,1080 11.501,1081 20.019,1082 -0.819,1083 12.38,1084 15.768,1085 0.041,1086 24.673,1087 11.873,1088 2.783,1089 9.471,1090 21.879,1091 4.684,1092 13.478,1093 17.206,1095 27.042,1096 12.916,1097 2.412,1098 9.052,1099 23.747,1100 3.982,1101 14.646,1102 18.749,1103 0.019,1104 29.469,1105 14.047,1106 1.971,1107 7.864,1108 25.621,1109 3.745,1110 15.78,1111 20.235,1113 31.871,1114 15.131,1115 1.864,1116 5.805,1117 27.5,1118 3.252,1119 16.943,1120 21.768,1121 0.009,1122 34.297,1123 16.254,1124 1.749,1125 5.574,1126 29.384,1127 2.718,1128 18.095,1129 23.279,1131 36.716,1132 17.36,1133 7780,1134 14155,1135 19.997,1136 31.523,1137 45.417,1138 46.51,1139 47.233,1140 45.464,1141 45.219,1142 62.099,1143 1.36,1144 134.116,1145 42.218,1146 5.503,1147 5.486,1148 6.673,1149 5.313,1150 5.286,1151 7.684,1152 1.36,1153 18.834,1154 5.138,1155 13.096,1156 1.514,1157 1.55,1158 1.574,1159 1.515,1160 1.507,1161 2.07,1162 0.045,1163 4.471,1164 1.407,1165 4.144,1166 4.19,1167 4.164,1168 4.003,1169 6.473,1170 4.023,1171 3.901,1172 3.921,1173 4.065,1174 3.847,1175 5.073,1176 3.843,1177 3.825,1178 3.866,1179 3.781,1180 3.713,1181 5.006,1182 3.723,1183 3.506,1184 3.569,1185 3.443,1186 3.363,1187 4.871,1188 3.363,1189 3.256,1190 3.317,1191 3.378,1192 3.128,1193 4.487,1194 3.107,1195 3.016,1196 3.088,1197 3.267,1198 2.847,1199 4.358,1200 2.847,1201 2.899,1202 2.925,1203 3.036,1204 2.836,1205 4.27,1206 2.806,1207 2.875,1208 2.917,1209 2.914,1210 2.735,1211 3.933,1212 2.715,1213 0.157,1214 0.116,1215 0.229,1216 0.141,1217 0.11,1218 4.715,1219 0.156,1220 3.486,1221 0.023,1222 6.871,1223 0.383,1224 4.24,1225 0.105,1226 3.286,1227 4.684,1228 0.68,1229 11.501,1230 3.138,1231 1.949,1232 1.925,1233 2.019,1234 2.086,1235 1.238,1236 2.061,1237 1.89,1238 1.866,1239 1.971,1240 1.967,1241 1.057,1242 1.981,1243 1.683,1244 1.645,1245 1.861,1246 1.872,1247 1.04,1248 1.846,1249 1.634,1250 1.577,1251 1.754,1252 1.792,1253 0.825,1254 1.818,1255 1.275,1256 1.212,1257 1.52,1258 1.454,1259 0.659,1260 1.484,1261 0.916,1262 0.842,1263 1.181,1264 1.184,1265 0.264,1266 1.165,1267 0.886,1268 0.827,1269 1.14,1270 1.062,1271 0.218,1272 1.107,1273 0.848,1274 0.821,1275 0.996,1276 1.021,1277 0.107,1278 1.018,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.844,1285 8.634,1286 7.05,1287 10.317,1289 2.02,1290 12.541,1294 10.509,1295 1.235,1305 30.143,1306 72.891,1307 164.168,1308 201.065,1309 216.574,1310 216.574,1311 216.574,1312 43.87,1313 7.649,1314 63.31,1315 63.31,1316 23,1317 12.719,1318 4.524,1319 3.585,1320 39.901,1321 91,1322 94,1323 0.215,1324 191.609,1325 318.33,1326 459.286,1327 20709,1328 4.7,1329 18.966,1330 0.702,1331 0.594,1332 19.966,1333 16.037,1334 13.08,1335 0.436,1336 0.309,1337 8.496,1338 12.177,1339 8.225,1340 6.797,1341 13.657,1342 9.275,1343 11.766,1344 0.274,1345 0.161,1346 12.47,1347 6.925,1348 10.552,1349 0.176,1350 0.089,1351 11.563,1352 5.317,1353 8.67,1354 0.108,1355 0.044,1356 9.143,1357 3.488,1358 7.197,1359 0.069,1360 0.022,1361 7.54,1362 2.361,1363 0.327,1364 87.26,1365 0.224,1366 25.367,1367 0.624,1368 146,1369 427.137,1370 187.552,1371 481.191,1372 648.47,1373 448,1374 176,1375 446.556,1376 217.027,1377 471.544,1378 696.38,1379 445,1380 6.8}
{0 CHEMBL2322339,1 1.68,2 9.37,3 5.232,4 27.376,5 106.308,6 8.465,7 0.533,8 3.984,9 4.089,10 3.661,11 3.559,12 5.049,13 3.531,14 4.548,15 4.706,16 4.075,17 3.981,18 5.568,19 3.928,20 4.811,21 5.01,22 4.293,23 4.142,24 5.859,25 4.058,26 4.835,27 5.049,28 4.091,29 4.116,30 5.835,31 4.018,32 4.789,33 4.998,34 4.053,35 4.074,36 5.775,37 3.986,38 4.821,39 5.011,40 4.198,41 4.079,42 5.923,43 4.016,44 4.837,45 5.041,46 4.14,47 4.071,48 5.926,49 3.964,50 4.757,51 4.989,52 3.911,53 3.973,54 5.733,55 3.812,56 0.079,57 0.676,58 8.485,59 4.448,60 7.748,61 5.547,62 0.253,63 1.118,64 18.602,65 7.914,66 19.34,67 10.105,68 0.476,69 1.374,70 33.291,71 10.419,72 45.636,73 13.413,74 0.467,75 1.409,76 33.21,77 10.21,78 43.417,79 13.465,80 0.396,81 1.353,82 30.235,83 9.938,84 36.01,85 13.126,86 0.547,87 1.361,88 28.765,89 9.439,90 52.508,91 11.898,92 0.691,93 1.309,94 33.054,95 10.321,96 62.395,97 13.262,98 0.499,99 1.133,100 35.422,101 11.068,102 52.581,103 14.393,104 18,105 43,106 0.286,107 0.624,108 0.812,109 0.848,110 0.848,111 0.848,112 3.341,113 0.995,114 -5.56,115 -5.44,116 -5.07,119 41.7,120 1,121 4,122 1,125 2,142 4,143 2,144 2,146 2,153 1,161 1,166 1,172 8,174 1,175 9,178 1,180 1,183 9,186 1,187 9,190 1,195 13,199 6,202 1,204 2,207 10,211 1,212 8,217 4,220 9,224 8,229 2,232 9,236 1,237 7,240 1,242 1,245 11,249 1,250 1,255 2,258 10,263 2,268 2,271 8,275 1093,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 16.363,282 21.489,283 10.665,284 18.92,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 11.637,291 21.499,292 4.972,293 15.768,294 3.905,295 1.917,296 0.807,297 0.599,298 0.599,299 0.599,300 4.036,301 2,304 1,305 1,306 547,307 2.646,310 55.972,311 228.979,314 102.799,318 1.421,319 28.732,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 58.167,331 253,332 4.711,333 3.49,334 6.871,335 4.24,336 3.286,337 4.678,338 0.86,339 11.501,340 3.138,341 4.316,342 3.35,343 6.344,344 3.87,345 2.947,346 3.981,347 0.68,348 9.471,349 2.773,350 4.021,351 3.049,352 6.147,353 3.753,354 2.783,355 3.46,357 9.052,358 2.617,359 3.709,360 2.703,361 5.859,362 3.355,363 2.412,364 3.05,366 7.864,367 2.26,368 3.284,369 2.45,370 5.115,371 2.9,372 1.971,373 2.527,375 5.805,376 1.8,377 3.23,378 2.298,379 5.02,380 2.784,381 1.864,382 2.49,384 5.574,385 1.665,386 2.956,387 2.063,388 4.543,389 2.682,390 1.749,391 2.031,393 4.593,394 1.627,395 2.867,396 1.882,397 4.217,398 2.36,399 1.414,400 2.024,402 3.446,403 1.285,404 2.536,405 1.495,406 3.87,407 2.178,408 1.244,409 1.545,411 3.174,412 1.146,413 2.221,414 1.364,415 3.548,416 1.998,417 1.084,418 1.199,420 2.669,421 0.977,422 2,423 1.2,424 3.247,425 1.969,426 1,427 1,428 2.136,429 0.963,430 1.731,431 1.047,432 3.237,433 1.494,434 0.537,435 0.621,436 1.169,437 0.506,438 1.477,439 0.663,440 2.85,441 1.146,442 0.319,443 0.355,445 0.605,446 0.214,447 1.158,448 0.184,449 2.641,450 0.75,451 -0.101,452 -0.121,454 -0.212,455 -0.081,456 1.034,457 -0.021,458 2.585,459 0.572,460 -0.328,461 -0.428,463 -0.819,464 -0.28,465 13.295,466 0.492,467 0.678,468 0.025,469 32,470 1.185,471 14.5,472 0.537,473 17.5,474 0.648,475 27.242,476 1.009,477 29.305,478 0.611,479 22.205,480 0.822,481 5.849,482 0.217,483 7.23,484 0.268,485 0.17,487 0.369,493 0.745,494 1.217,495 0.57,496 0.929,497 0.782,498 0.889,499 0.828,500 1.205,501 0.622,502 0.887,503 0.637,504 0.887,505 0.893,506 1.068,507 0.713,508 0.831,509 0.782,510 0.864,511 1,512 1.021,513 1.019,514 0.957,515 0.954,516 0.989,517 0.911,518 1.102,519 0.892,520 0.984,521 0.966,522 0.982,523 1.256,524 1.123,525 0.784,526 0.911,527 1.557,528 0.951,529 1.062,530 1.004,531 0.962,532 0.983,533 1.349,534 1.046,535 0.872,536 0.898,537 1.099,538 1.081,539 0.87,540 1.09,541 5,542 0.078,543 3.556,544 2.139,545 1.814,546 1.118,547 0.77,548 0.506,549 0.28,550 0.146,551 8117,552 24168,553 2.097,554 43.8,555 5,556 8,559 1,560 3,561 4,564 1.708,565 1.952,566 3.227,567 -0.309,573 80.646,574 1.68,575 3.668,576 4.778,577 4.986,578 4.986,579 4.986,580 2.683,581 4.459,582 4.727,583 3.353,584 1177,585 8.242,586 14629,591 268.078,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.046,598 0.044,599 0.027,600 0.018,601 0.014,602 0.01,603 0.007,604 0.422,605 0.33,606 0.88,607 0.76,608 131.193,609 -0.01,610 -0.037,611 0.017,612 -0.007,613 -0.055,614 0.015,615 0.018,616 -0.107,617 0.066,618 0.039,619 0.04,620 0.04,621 0.027,622 -0.02,623 0.154,624 0.114,625 0.094,626 0.085,627 -0.127,628 0.053,629 -0.116,630 -0.027,631 -0.076,632 -0.049,633 -0.066,634 -0.042,635 -0.065,636 -0.055,637 -0.073,638 -0.036,639 -0.115,640 -0.052,641 0.001,642 -0.012,643 -0.15,644 -0.052,645 0.038,646 0.012,647 -0.035,648 -0.037,649 -0.044,650 -0.106,651 0.042,652 0.014,653 -0.033,654 -0.061,655 0.076,656 -0.066,657 1.556,658 4.563,659 0.778,660 22.499,661 1.009,662 1.124,663 4.332,664 18.77,665 0.693,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.796,672 4.956,673 5.118,674 5.209,675 5.231,676 5.725,677 0.655,678 406.34,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.47,686 10.381,687 11.291,688 12.205,689 6.3,697 1,699 2,703 1,704 4,705 2,709 7,711 16,728 1,730 2,731 48,733 16,734 1,735 30,737 51,738 20,739 12,740 3,741 3,746 4,747 5,748 2,752 1,755 2,756 1,758 4,761 12,762 8,763 1,781 21,782 4,783 1,784 7,785 2,790 3,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 1,845 2,848 27,853 1,854 6,856 1,858 1,869 2,870 4.2,872 1,874 1,877 13.833,878 8.919,879 5.944,880 3.175,881 3.132,882 1.409,883 0.97,884 5.488,885 10.782,886 3.664,887 4.314,888 4.957,889 5.581,890 6.149,891 6.535,892 6.958,893 7.411,894 7.674,895 7.931,896 1,897 46,898 10.008,900 4.33,901 7.7,902 19.288,904 16.282,905 2.2,906 59.389,910 235.422,911 86.654,912 34.612,913 78.297,914 53.683,917 86.654,918 367.403,919 34.612,920 8.825,921 19.323,922 37.905,923 88.847,924 20.05,926 235.422,927 78.297,928 235.422,929 121.267,930 53.683,931 78.297,933 188.338,934 89.768,935 11,937 36.541,938 51.277,939 111.746,941 235.422,942 88.296,943 164.952,946 235.422,947 39.924,948 47.894,950 165.429,951 235.422,952 88.296,953 164.952,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.078,962 4,963 1,964 1.095,965 3.762,966 243.595,967 0.095,968 21,969 124.382,974 18.851,975 7.86,976 3.627,977 0.685,978 87.132,979 7.349,980 9.454,984 4.882,986 42.683,987 488.669,988 38,999 48.443,1000 53.954,1001 0.301,1002 0.657,1003 0.855,1004 0.893,1005 0.893,1006 0.893,1007 4.92,1008 1.414,1009 5.866,1010 4.593,1011 4.466,1012 5.001,1013 1.225,1014 6.723,1015 4.338,1016 6.142,1017 1.244,1018 7.456,1019 3.446,1020 4.111,1021 4.956,1023 7.7,1024 3.884,1025 7.474,1026 1.084,1027 9.148,1028 3.174,1029 6.103,1030 7.288,1031 0.925,1032 10.837,1033 5.88,1034 8.845,1035 1,1036 10.897,1037 2.669,1038 6.581,1039 8.094,1041 12.638,1042 6.266,1043 10.252,1044 0.537,1045 12.684,1046 2.136,1047 8.047,1048 9.923,1049 0.697,1050 15.295,1051 7.727,1052 11.683,1053 0.319,1054 14.495,1055 1.169,1056 8.899,1057 11.115,1059 17.441,1060 8.504,1061 13.133,1062 -0.101,1063 16.324,1064 0.605,1065 10.166,1066 12.754,1067 0.525,1068 19.934,1069 9.749,1070 3.286,1071 -0.328,1072 18.166,1073 -0.212,1074 11.187,1075 14.127,1077 22.233,1078 10.708,1079 2.947,1080 11.501,1081 20.019,1082 -0.819,1083 12.38,1084 15.693,1085 0.395,1086 24.673,1087 11.868,1088 2.783,1089 9.471,1090 21.879,1091 4.678,1092 13.478,1093 17.15,1095 27.042,1096 12.913,1097 2.412,1098 9.052,1099 23.747,1100 3.981,1101 14.646,1102 18.69,1103 0.298,1104 29.469,1105 14.043,1106 1.971,1107 7.864,1108 25.621,1109 3.46,1110 15.78,1111 20.187,1113 31.871,1114 15.128,1115 1.864,1116 5.805,1117 27.5,1118 3.05,1119 16.943,1120 21.72,1121 0.224,1122 34.297,1123 16.25,1124 1.749,1125 5.574,1126 29.384,1127 2.527,1128 18.095,1129 23.237,1131 36.716,1132 17.357,1133 7780,1134 13572,1135 19.997,1136 33.256,1137 45.184,1138 46.812,1139 47.233,1140 45.454,1141 45.219,1142 57.921,1143 3.08,1144 134.116,1145 41.941,1146 5.711,1147 5.49,1148 6.673,1149 5.314,1150 5.286,1151 7.678,1152 1.72,1153 18.834,1154 5.138,1155 13.096,1156 1.506,1157 1.56,1158 1.574,1159 1.515,1160 1.507,1161 1.931,1162 0.103,1163 4.471,1164 1.398,1165 4.143,1166 4.189,1167 4.162,1168 3.998,1169 6.473,1170 4.017,1171 3.896,1172 3.915,1173 4.061,1174 3.836,1175 5.062,1176 3.833,1177 3.793,1178 3.838,1179 3.687,1180 3.652,1181 4.993,1182 3.652,1183 3.508,1184 3.568,1185 3.437,1186 3.352,1187 4.613,1188 3.352,1189 3.259,1190 3.32,1191 3.373,1192 3.127,1193 4.487,1194 3.107,1195 3.111,1196 3.206,1197 3.266,1198 2.941,1199 4.357,1200 2.91,1201 3.063,1202 3.124,1203 3.039,1204 2.856,1205 4.27,1206 2.861,1207 2.905,1208 2.947,1209 2.94,1210 2.837,1211 3.931,1212 2.806,1213 0.157,1214 0.116,1215 0.229,1216 0.141,1217 0.11,1218 4.711,1219 0.156,1220 3.49,1221 0.029,1222 6.871,1223 0.383,1224 4.24,1225 0.105,1226 3.286,1227 4.678,1228 0.86,1229 11.501,1230 3.138,1231 1.944,1232 1.919,1233 2.05,1234 2.093,1235 1.386,1236 2.073,1237 1.879,1238 1.848,1239 1.99,1240 1.969,1241 1.231,1242 1.985,1243 1.668,1244 1.628,1245 1.861,1246 1.886,1247 1.042,1248 1.864,1249 1.629,1250 1.571,1251 1.779,1252 1.793,1253 0.897,1254 1.819,1255 1.276,1256 1.214,1257 1.524,1258 1.454,1259 0.825,1260 1.485,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.696,1266 1.429,1267 0.972,1268 0.906,1269 1.218,1270 1.273,1271 0.415,1272 1.257,1273 0.861,1274 0.827,1275 1.124,1276 1.056,1277 0.264,1278 1.081,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.844,1285 8.634,1286 7.05,1287 10.317,1289 2.043,1290 12.576,1294 10.563,1295 4.573,1297 5.453,1299 0.289,1305 31.417,1306 80.646,1307 176.078,1308 229.323,1309 239.323,1310 239.323,1311 239.323,1312 48.138,1313 7.649,1314 59.65,1315 59.65,1316 23,1317 12.719,1318 4.087,1319 3.17,1320 39.901,1321 91,1322 94,1323 0.215,1324 197.593,1325 334.94,1326 473.887,1327 20709,1328 4.2,1329 18.966,1330 0.702,1331 0.615,1332 19.966,1333 16.594,1334 13.08,1335 0.436,1336 0.332,1337 9.146,1338 12.107,1339 8.883,1340 7.277,1341 13.657,1342 9.947,1343 11.766,1344 0.274,1345 0.177,1346 12.47,1347 7.615,1348 10.552,1349 0.176,1350 0.1,1351 11.563,1352 6,1353 8.67,1354 0.108,1355 0.05,1356 9.143,1357 4.038,1358 7.197,1359 0.069,1360 0.026,1361 7.54,1362 2.782,1363 0.327,1364 87.76,1365 0.224,1366 25.367,1367 0.624,1368 146,1369 419.227,1370 189.042,1371 462.612,1372 618.4,1373 432,1374 176,1375 416.08,1376 218.353,1377 437.095,1378 649.96,1379 413,1380 5.8}
{0 CHEMBL2322340,1 2.041,2 9.414,3 5.403,4 29.192,5 103.167,6 10.165,7 0.5,8 3.95,9 4.042,10 3.753,11 3.456,12 5.166,13 3.49,14 4.527,15 4.665,16 4.248,17 3.861,18 6.167,19 3.89,20 4.716,21 4.883,22 4.393,23 4.025,24 6.058,25 4.01,26 4.765,27 4.952,28 4.26,29 4.006,30 6.049,31 3.983,32 4.754,33 4.944,34 4.233,35 3.935,36 6.142,37 3.944,38 4.741,39 4.88,40 4.441,41 3.9,42 6.41,43 3.978,44 4.778,45 4.955,46 4.438,47 3.851,48 6.376,49 3.899,50 4.606,51 4.787,52 4.256,53 3.7,54 6.155,55 3.724,56 0.34,57 0.859,58 4.069,59 3.891,60 42.261,61 3.725,62 1.165,63 1.674,64 12.724,65 6.697,66 154.015,67 6.513,68 1.077,69 1.483,70 23.241,71 8.341,72 96.051,73 9.019,74 1.111,75 1.62,76 25.853,77 9.092,78 105.493,79 10.264,80 1.278,81 1.685,82 26.564,83 9.131,84 147.938,85 9.635,86 1.403,87 1.746,88 17.822,89 7.898,90 172.994,91 6.875,92 1.742,93 1.596,94 27.124,95 8.624,96 189.897,97 7.455,98 1.294,99 1.314,100 23.792,101 8.333,102 151.556,103 7.988,104 38,105 48,106 0.353,107 0.693,108 0.8,109 0.839,110 0.839,111 0.839,112 3.409,113 0.886,114 -5.76,115 -5.63,116 -5.24,119 40.9,121 1,125 4,132 1,142 4,143 2,144 2,146 1,147 1,153 1,161 1,166 1,172 5,174 2,175 6,178 1,180 1,183 6,186 2,187 4,190 1,195 9,198 1,199 4,202 2,204 1,207 7,211 2,212 5,217 1,220 3,224 7,229 1,232 1,236 1,237 8,240 1,242 1,245 1,249 1,250 3,255 2,258 2,263 3,268 2,271 2,275 1365,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.003,282 23.597,283 10.842,284 19.887,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 12.758,291 30.229,292 5.161,293 17.505,294 3.419,295 1.454,296 0.835,297 0.608,298 0.608,299 0.608,300 4.098,301 2,304 1,305 1,306 585,307 3.464,310 60.95,311 249.318,314 112.999,318 1.365,319 58.2,322 0.75,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.84,330 67.167,331 273,332 4.785,333 4.475,334 7.332,335 4.381,336 3.474,337 4.702,338 3.825,339 12.722,340 3.195,341 4.317,342 3.457,343 6.635,344 3.931,345 3.051,346 3.981,347 0.86,348 10.478,349 2.704,350 4.276,351 3.301,352 6.343,353 3.859,354 2.946,355 3.637,356 0.8,357 9.454,358 2.636,359 3.876,360 3.03,361 6.1,362 3.601,363 2.697,364 3.127,365 0.68,366 8.881,367 2.401,368 3.614,369 2.688,370 5.701,371 3.22,372 2.297,373 2.947,375 7.391,376 2.078,377 3.262,378 2.368,379 5.02,380 2.823,381 1.908,382 2.52,384 5.594,385 1.678,386 3.019,387 2.28,388 4.78,389 2.727,390 1.821,391 2.097,393 4.874,394 1.642,395 2.867,396 1.886,397 4.543,398 2.361,399 1.428,400 2.03,402 4.423,403 1.288,404 2.782,405 1.711,406 4.146,407 2.325,408 1.414,409 1.868,411 3.297,412 1.259,413 2.504,414 1.522,415 3.869,416 2.151,417 1.24,418 1.505,420 3.17,421 1.115,422 2.179,423 1.349,424 3.539,425 1.952,426 1,427 1.142,428 2.578,429 0.946,430 2,431 1.256,432 3.247,433 1.873,434 0.981,435 1,436 2.136,437 0.864,438 1.572,439 1.048,440 3.226,441 1.215,442 0.383,443 0.437,445 0.95,446 0.266,447 1.235,448 0.51,449 2.861,450 0.779,451 -0.04,452 -0.048,454 -0.1,455 -0.03,456 1.041,457 0.51,458 2.65,459 0.574,460 -0.324,461 -0.423,463 -0.822,464 -0.274,465 13.552,466 0.467,467 1.005,468 0.035,469 35,470 1.207,471 15,472 0.517,473 20,474 0.69,475 27.459,476 0.947,477 32.648,478 0.742,479 29.764,480 1.026,481 7.056,482 0.243,483 6.697,484 0.231,485 0.193,486 0.037,487 0.354,490 3,493 0.674,494 1.062,495 0.502,496 0.945,497 0.642,498 0.847,499 0.629,500 0.795,501 0.581,502 0.764,503 0.405,504 0.794,505 0.656,506 0.746,507 0.72,508 0.797,509 0.51,510 0.885,511 0.706,512 0.86,513 0.975,514 1.019,515 0.732,516 1.046,517 0.999,518 1.027,519 0.916,520 0.961,521 1.067,522 0.941,523 1.115,524 1.369,525 0.717,526 1.003,527 1.072,528 0.887,529 1.246,530 1.145,531 0.925,532 0.935,533 1.434,534 0.912,535 1.023,536 1.242,537 0.814,538 1.157,539 1.088,540 1.027,541 7,542 0.103,543 4.222,544 2.444,545 2.384,546 1.514,547 1.126,548 0.763,549 0.419,550 0.194,551 9355,552 38482,553 2.041,554 34.1,555 2,556 12,559 1,564 1.729,565 1.861,566 3.2,567 -0.2,573 89.798,574 2.041,575 4.005,576 4.624,577 4.851,578 4.851,579 4.851,580 2.651,581 4.487,582 4.829,583 3.346,584 1358.6,585 8.462,586 17677.6,591 240.215,592 1.694,593 4.757,594 0.219,595 0.007,596 0.088,597 0.049,598 0.051,599 0.032,600 0.021,601 0.017,602 0.012,603 0.008,604 0.503,605 0.33,606 0.88,607 0.805,608 143.554,609 -0.065,610 -0.12,611 0.002,612 -0.057,613 -0.089,614 -0.014,615 0.207,616 0.209,617 0.076,618 0.129,619 0.363,620 0.067,621 0.044,622 0.043,623 0.123,624 0.114,625 0.077,626 0.059,627 0.028,628 -0.015,629 -0.07,630 -0.086,631 -0.027,632 -0.062,633 -0.069,634 -0.009,635 -0.051,636 -0.014,637 -0.091,638 0.032,639 -0.041,640 -0.305,641 0.057,642 -0.096,643 0.086,644 -0.039,645 -0.022,646 0.043,647 0.06,648 0.026,649 -0.098,650 -0.01,651 0.063,652 -0.194,653 0.205,654 -0.154,655 0.052,656 -0.025,657 5.986,658 5.685,659 0.724,660 24.692,661 1.053,662 1.151,663 4.532,664 20.536,665 0.694,666 3.497,667 3.892,668 4.174,669 4.466,670 4.754,671 4.934,672 5.088,673 5.252,674 5.371,675 5.398,676 5.787,677 0.694,678 447.27,679 3.497,680 5.081,681 5.953,682 6.868,683 7.765,684 8.687,685 9.596,686 10.522,687 11.438,688 12.367,689 9.1,695 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,726 1,728 1,730 2,731 44,733 16,734 1,735 32,737 47,738 18,739 12,740 3,741 3,746 4,747 5,748 2,752 1,757 1,758 1,761 12,762 6,779 3,781 15,782 8,783 1,784 11,785 2,790 4,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,845 2,846 3,848 29,853 1,854 5,856 1,859 1,860 1,869 5,870 4.5,872 1,874 1,877 15.583,878 7.964,879 6.111,880 2.553,881 3.116,882 1.401,883 0.981,884 5.551,885 10.88,886 3.714,887 4.379,888 4.998,889 5.625,890 6.211,891 6.64,892 7.057,893 7.514,894 7.814,895 8.06,896 1,897 50,898 11.42,900 5.667,901 8.321,902 19.561,904 16.332,905 2.821,906 81.806,910 164.795,911 81.768,912 37.737,913 78.297,914 53.683,915 44.88,917 81.768,918 296.776,919 82.617,921 15.931,922 37.905,923 88.847,924 65.298,925 2.328,926 164.795,927 86.057,928 164.795,929 119.504,930 98.564,931 78.297,933 164.795,934 87.564,935 11,937 29.326,938 56.73,939 111.746,941 209.676,942 91.42,943 160.065,946 172.555,947 36.103,948 42.193,950 210.309,951 164.795,952 136.3,953 160.065,955 0.603,956 0.348,957 0.182,958 0.105,959 25,960 12,961 0.064,962 3,963 1,964 1.095,965 3.816,966 273.352,967 0.095,968 21,969 132.127,974 20.542,975 7.837,976 3.992,977 -0.088,978 135.136,979 6.034,980 7.955,984 -0.606,986 42.683,987 461.161,988 40,999 46.316,1000 50.641,1001 0.374,1002 0.734,1003 0.847,1004 0.889,1005 0.889,1006 0.889,1007 5.004,1008 1.428,1009 6.004,1010 4.874,1011 4.575,1012 5.066,1013 3.187,1014 6.905,1015 4.38,1016 6.256,1017 1.414,1018 7.63,1019 4.423,1020 4.443,1021 5.112,1022 3.911,1023 8.109,1024 4.049,1025 7.609,1026 1.24,1027 9.365,1028 3.297,1029 6.301,1030 7.358,1031 5.429,1032 11.187,1033 5.926,1034 9,1035 1,1036 11.163,1037 3.17,1038 6.948,1039 8.202,1040 6.69,1041 13.175,1042 6.385,1043 10.423,1044 0.981,1045 13.001,1046 2.578,1047 8.36,1048 9.996,1049 8.058,1050 15.849,1051 7.792,1052 11.869,1053 0.383,1054 14.866,1055 2.136,1056 9.329,1057 11.202,1058 9.389,1059 18.144,1060 8.61,1061 13.333,1062 -0.04,1063 16.75,1064 0.95,1065 10.592,1066 12.826,1067 10.734,1068 20.7,1069 9.835,1070 3.474,1071 -0.324,1072 18.649,1073 -0.1,1074 11.697,1075 14.204,1076 12.074,1077 23.125,1078 10.823,1079 3.051,1080 12.722,1081 20.561,1082 -0.822,1083 12.915,1084 15.764,1085 13.416,1086 25.651,1087 11.982,1088 2.946,1089 10.478,1090 22.482,1091 4.702,1092 14.079,1093 17.224,1094 14.758,1095 28.133,1096 13.05,1097 2.697,1098 9.454,1099 24.412,1100 3.981,1101 15.288,1102 18.764,1103 16.1,1104 30.657,1105 14.19,1106 2.297,1107 8.881,1108 26.349,1109 3.637,1110 16.481,1111 20.264,1112 17.441,1113 33.167,1114 15.297,1115 1.908,1116 7.391,1117 28.292,1118 3.127,1119 17.693,1120 21.798,1121 18.783,1122 35.694,1123 16.435,1124 1.821,1125 5.594,1126 30.241,1127 2.947,1128 18.902,1129 23.319,1130 20.124,1131 38.218,1132 17.564,1133 9050,1134 18550,1135 20.69,1136 30.551,1137 49.609,1138 50.154,1139 50.962,1140 49.68,1141 49.279,1142 61.983,1143 12.331,1144 151.899,1145 44.143,1146 5.785,1147 6.475,1148 7.134,1149 5.485,1150 5.474,1151 7.702,1152 5.335,1153 20.638,1154 5.195,1155 16.57,1156 1.55,1157 1.567,1158 1.593,1159 1.552,1160 1.54,1161 1.937,1162 0.385,1163 4.747,1164 1.379,1165 4.14,1166 4.187,1167 4.166,1168 3.982,1169 8.513,1170 4.005,1171 3.893,1172 3.913,1173 4.064,1174 3.82,1175 7.999,1176 3.825,1177 3.762,1178 3.817,1179 3.676,1180 3.548,1181 7.999,1182 3.568,1183 3.489,1184 3.523,1185 3.476,1186 3.292,1187 6.473,1188 3.313,1189 3.202,1190 3.252,1191 3.418,1192 2.978,1193 5.055,1194 3,1195 3.111,1196 3.206,1197 3.284,1198 2.941,1199 4.986,1200 2.91,1201 3.009,1202 3.074,1203 3.09,1204 2.837,1205 4.626,1206 2.806,1207 2.899,1208 2.917,1209 2.924,1210 2.696,1211 4.487,1212 2.753,1213 0.15,1214 0.14,1215 0.229,1216 0.137,1217 0.109,1218 4.785,1219 0.147,1220 4.475,1221 0.12,1222 7.332,1223 0.398,1224 4.381,1225 0.1,1226 3.474,1227 4.702,1228 3.825,1229 12.722,1230 3.195,1231 1.93,1232 1.91,1233 2,1234 2.084,1235 1.229,1236 2.051,1237 1.835,1238 1.794,1239 1.946,1240 1.965,1241 1.194,1242 1.975,1243 1.625,1244 1.576,1245 1.78,1246 1.877,1247 0.921,1248 1.852,1249 1.526,1250 1.492,1251 1.605,1252 1.731,1253 0.825,1254 1.68,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.744,1260 1.429,1261 1.093,1262 1.044,1263 1.226,1264 1.353,1265 0.323,1266 1.328,1267 0.856,1268 0.827,1269 1.08,1270 1.199,1271 0.251,1272 1.144,1273 0.847,1274 0.8,1275 0.968,1276 1.021,1277 0.082,1278 0.996,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.081,1287 10.46,1290 12.185,1291 41.054,1294 10.339,1295 1.755,1297 5.289,1300 1.833,1301 -4.736,1305 30.535,1306 89.798,1307 176.241,1308 203.46,1309 213.46,1310 213.46,1311 213.46,1312 73.036,1313 7.765,1314 62.89,1315 62.89,1316 23,1317 12.873,1318 4.087,1319 3.17,1320 44.253,1321 97,1322 108,1323 0.22,1324 188.797,1325 329.55,1326 452.425,1327 23171,1328 11.4,1329 20.759,1330 0.716,1331 0.565,1332 19.259,1333 16.391,1334 13.753,1335 0.43,1336 0.295,1337 8.549,1338 12.392,1339 8.416,1340 6.789,1341 13.119,1342 9.454,1343 13.57,1344 0.283,1345 0.152,1346 12.279,1347 7.307,1348 11.002,1349 0.172,1350 0.086,1351 11.233,1352 5.512,1353 9.061,1354 0.105,1355 0.042,1356 8.865,1357 3.641,1358 7.55,1359 0.066,1360 0.021,1361 7.312,1362 2.458,1363 0.332,1364 94.625,1365 0.22,1366 26.771,1367 0.649,1368 160,1369 711.206,1370 222.529,1371 655.372,1372 842.68,1373 606,1374 192,1375 552.896,1376 248.395,1377 552.801,1378 841.86,1379 519,1380 6.7}
{0 CHEMBL2322341,1 1.984,2 9.414,3 5.81,4 33.76,5 101.958,6 10.981,7 0.688,8 3.858,9 3.939,10 3.725,11 3.454,12 5.172,13 3.482,14 4.368,15 4.476,16 4.221,17 3.844,18 6.135,19 3.87,20 4.55,21 4.684,22 4.371,23 3.983,24 6.011,25 3.975,26 4.621,27 4.779,28 4.237,29 3.941,30 6.006,31 3.94,32 4.606,33 4.763,34 4.209,35 3.884,36 6.108,37 3.91,38 4.618,39 4.74,40 4.422,41 3.86,42 6.385,43 3.944,44 4.635,45 4.795,46 4.404,47 3.798,48 6.313,49 3.861,50 4.427,51 4.579,52 4.223,53 3.636,54 6.159,55 3.675,56 0.306,57 0.807,58 1.962,59 3.145,60 43.171,61 2.707,62 0.942,63 1.627,64 5.3,65 5.409,66 144.154,67 4.596,68 0.822,69 1.41,70 13.968,71 6.796,72 87.884,73 6.416,74 0.963,75 1.534,76 18.502,77 7.595,78 106.506,79 7.177,80 1.11,81 1.64,82 18.433,83 7.828,84 145.634,85 6.978,86 1.232,87 1.682,88 10.904,89 7.013,90 168.271,91 5.247,92 1.459,93 1.586,94 19.791,95 8.107,96 189.336,97 5.976,98 1.099,99 1.268,100 15.322,101 6.99,102 128.896,103 5.794,104 38,105 48,106 0.345,107 0.68,108 0.793,109 0.861,110 0.861,111 0.861,112 3.409,113 0.847,114 -5.71,115 -5.58,116 -5.2,119 47.5,121 1,132 1,142 6,143 3,144 2,145 2,146 2,153 1,161 1,166 1,172 7,174 1,175 8,178 1,180 1,183 8,186 1,187 7,190 1,195 11,199 4,202 1,204 2,207 8,211 1,212 7,217 3,220 6,224 8,229 1,232 4,236 1,237 7,240 1,242 1,245 4,249 1,250 1,255 2,258 6,263 1,268 2,271 8,275 1365,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 16.29,282 13.142,283 10.842,284 19.69,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 11.788,291 13.662,292 5.161,293 17.194,294 3.338,295 1.407,296 0.757,297 0.369,298 0.369,299 0.369,300 4.098,301 2,305 1,306 585,307 3.464,310 60.95,311 249.318,314 112.999,318 1.365,319 56.105,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 66.167,331 273,332 4.787,333 4.475,334 7.332,335 4.382,336 3.474,337 4.708,338 3.825,339 12.722,340 3.2,341 4.326,342 3.455,343 6.635,344 3.95,345 3.051,346 3.983,347 0.68,348 10.478,349 2.808,350 4.297,351 3.268,352 6.343,353 3.86,354 2.946,355 3.792,357 9.454,358 2.642,359 4.037,360 2.821,361 6.1,362 3.645,363 2.697,364 3.456,366 8.881,367 2.471,368 3.627,369 2.627,370 5.701,371 3.223,372 2.297,373 2.95,375 7.391,376 2.083,377 3.301,378 2.361,379 5.02,380 2.825,381 1.908,382 2.67,384 5.594,385 1.721,386 3.262,387 1.886,388 4.78,389 2.763,390 1.821,391 2.52,393 4.874,394 1.67,395 2.867,396 1.85,397 4.543,398 2.361,399 1.428,400 2.03,402 4.423,403 1.288,404 2.821,405 1.626,406 4.146,407 2.33,408 1.414,409 1.933,411 3.297,412 1.264,413 2.679,414 1.438,415 3.869,416 2.189,417 1.24,418 1.756,420 3.17,421 1.168,422 2.5,423 1.149,424 3.539,425 1.984,426 1,427 1.5,428 2.578,429 0.983,430 2.386,431 1.009,432 3.247,433 1.907,434 0.981,435 1.344,436 2.136,437 0.898,438 1.579,439 1,440 3.226,441 1.217,442 0.383,443 0.439,445 0.95,446 0.266,447 1.247,448 0.51,449 2.861,450 0.782,451 -0.04,452 -0.048,454 -0.1,455 -0.03,456 1.044,457 0.51,458 2.65,459 0.575,460 -0.324,461 -0.424,463 -0.822,464 -0.274,465 13.719,466 0.473,467 1.005,468 0.035,469 39.75,470 1.371,471 20.5,472 0.707,473 19.25,474 0.664,475 24.066,476 0.83,477 30.681,478 0.767,479 33.157,480 1.143,481 8.029,482 0.277,483 5.724,484 0.197,485 0.191,486 0.036,487 0.357,490 3,493 0.631,494 0.897,495 0.481,496 0.777,497 0.663,498 0.728,499 0.474,500 0.792,501 0.548,502 0.795,503 0.413,504 0.823,505 0.598,506 0.747,507 0.736,508 0.865,509 0.548,510 0.947,511 0.825,512 0.856,513 1.089,514 1.039,515 0.816,516 1.07,517 1.143,518 1.035,519 1.033,520 1.008,521 1.185,522 1.002,523 1.102,524 1.348,525 0.705,526 1.017,527 1.067,528 0.881,529 1.421,530 1.265,531 0.966,532 0.987,533 1.534,534 0.893,535 1.152,536 1.264,537 0.897,538 1.165,539 1.19,540 1.032,541 7,542 0.103,543 4.222,544 2.444,545 2.384,546 1.514,547 1.126,548 0.763,549 0.419,550 0.194,551 9355,552 40059,553 2.041,554 27.5,555 2,556 6,558 2,559 1,564 1.729,565 1.861,566 3.2,567 -0.234,573 79.358,574 1.984,575 3.915,576 4.565,577 4.953,578 4.953,579 4.953,580 2.651,581 4.487,582 4.829,583 3.346,584 1358.6,585 8.462,586 17677.6,591 212.877,592 1.694,593 4.757,594 0.219,595 0.007,596 0.088,597 0.049,598 0.051,599 0.032,600 0.021,601 0.017,602 0.012,603 0.008,604 0.503,605 0.33,606 0.88,607 0.805,608 143.554,609 -0.049,610 -0.042,611 -0.008,612 0.012,613 -0.115,614 0.019,615 0.323,616 0.217,617 0.057,618 0.049,619 0.382,620 -0.038,621 0.082,622 0.035,623 0.111,624 0.018,625 0.063,626 -0.037,627 -0.033,628 -0.024,629 -0.147,630 -0.11,631 -0.072,632 -0.094,633 -0.137,634 0.005,635 -0.159,636 -0.048,637 -0.147,638 -0.047,639 0.006,640 -0.289,641 0.072,642 -0.103,643 0.09,644 -0.045,645 -0.127,646 -0.046,647 0.071,648 0.038,649 -0.169,650 0.059,651 0.029,652 -0.158,653 0.179,654 -0.124,655 0.042,656 -0.021,657 6.003,658 5.672,659 0.724,660 24.692,661 1.056,662 1.14,663 4.481,664 20.082,665 0.739,666 3.497,667 3.892,668 4.174,669 4.466,670 4.754,671 4.934,672 5.088,673 5.252,674 5.371,675 5.398,676 5.787,677 0.744,678 439.24,679 3.497,680 5.081,681 5.953,682 6.868,683 7.765,684 8.687,685 9.596,686 10.522,687 11.438,688 12.367,689 10,697 1,699 3,703 1,704 8,705 3,709 8,711 22,728 1,730 2,731 40,733 22,734 1,735 32,737 43,738 19,739 17,740 3,741 3,746 4,747 5,748 2,752 1,757 1,758 1,761 17,762 2,779 3,781 11,782 7,783 1,784 10,785 2,790 4,794 0.75,795 1,803 1,805 1,806 1,811 1,812 3,815 1,840 3,845 2,846 3,848 29,853 1,854 1,860 1,869 5,870 2.5,872 1,877 15.583,878 7.381,879 6.111,880 2.221,881 3.951,882 1.509,883 1.001,884 5.052,885 11.716,886 3.784,887 4.48,888 5.123,889 5.763,890 6.369,891 6.784,892 7.263,893 7.771,894 8.173,895 8.526,896 1,897 50,898 11.375,900 5.661,901 8.361,902 19.234,904 15.935,905 2.861,906 82.972,910 117.711,911 109.033,912 51.398,913 78.297,914 42.683,915 44.88,917 109.033,918 238.692,919 96.278,921 2.535,922 56.857,923 118.175,924 86.211,926 94.169,927 86.057,928 117.711,929 160.431,930 87.564,931 78.297,933 117.711,934 87.564,937 36.782,938 73.415,939 128.531,941 162.591,942 94.081,943 187.33,946 125.471,947 26.321,948 76.116,950 216.095,951 117.711,952 138.962,953 187.33,955 0.603,956 0.348,957 0.182,958 0.105,959 25,960 12,961 0.07,962 3,963 1,964 1.095,965 3.816,966 273.352,967 0.095,968 21,969 132.127,974 19.807,975 7.397,976 3.725,977 -0.125,978 137.798,979 12.246,980 11.782,984 -0.218,986 42.683,987 444.003,988 43,999 42.222,1000 45.601,1001 0.373,1002 0.736,1003 0.858,1004 0.931,1005 0.931,1006 0.931,1007 5.053,1008 1.428,1009 6.004,1010 4.874,1011 4.575,1012 5.168,1013 3.08,1014 6.905,1015 4.412,1016 6.321,1017 1.414,1018 7.63,1019 4.423,1020 4.443,1021 5.156,1022 3.903,1023 8.109,1024 4.086,1025 7.675,1026 1.24,1027 9.365,1028 3.297,1029 6.301,1030 7.481,1031 5.422,1032 11.187,1033 5.985,1034 9.066,1035 1,1036 11.163,1037 3.17,1038 6.948,1039 8.263,1040 6.69,1041 13.175,1042 6.444,1043 10.488,1044 0.981,1045 13.001,1046 2.578,1047 8.36,1048 10.107,1049 8.058,1050 15.849,1051 7.867,1052 11.932,1053 0.383,1054 14.866,1055 2.136,1056 9.329,1057 11.267,1058 9.388,1059 18.144,1060 8.685,1061 13.394,1062 -0.04,1063 16.75,1064 0.95,1065 10.592,1066 12.916,1067 10.734,1068 20.7,1069 9.92,1070 3.474,1071 -0.324,1072 18.649,1073 -0.1,1074 11.697,1075 14.264,1076 12.074,1077 23.125,1078 10.905,1079 3.051,1080 12.722,1081 20.561,1082 -0.822,1083 12.915,1084 15.834,1085 13.416,1086 25.651,1087 12.069,1088 2.946,1089 10.478,1090 22.482,1091 4.708,1092 14.079,1093 17.277,1094 14.758,1095 28.133,1096 13.135,1097 2.697,1098 9.454,1099 24.412,1100 3.983,1101 15.288,1102 18.818,1103 16.1,1104 30.657,1105 14.276,1106 2.297,1107 8.881,1108 26.349,1109 3.792,1110 16.481,1111 20.308,1112 17.441,1113 33.167,1114 15.38,1115 1.908,1116 7.391,1117 28.292,1118 3.456,1119 17.693,1120 21.843,1121 18.783,1122 35.694,1123 16.518,1124 1.821,1125 5.594,1126 30.241,1127 2.95,1128 18.902,1129 23.357,1130 20.124,1131 38.218,1132 17.643,1133 9050,1134 18907,1135 20.69,1136 29.574,1137 50.001,1138 50.174,1139 50.962,1140 49.709,1141 49.279,1142 66.161,1143 9.011,1144 151.899,1145 44.924,1146 5.584,1147 6.475,1148 7.134,1149 5.455,1150 5.474,1151 7.708,1152 5.335,1153 20.638,1154 5.2,1155 16.57,1156 1.563,1157 1.568,1158 1.593,1159 1.553,1160 1.54,1161 2.068,1162 0.282,1163 4.747,1164 1.404,1165 4.146,1166 4.19,1167 4.169,1168 3.999,1169 8.513,1170 4.021,1171 3.901,1172 3.921,1173 4.069,1174 3.847,1175 7.999,1176 3.843,1177 3.826,1178 3.866,1179 3.789,1180 3.706,1181 7.999,1182 3.72,1183 3.487,1184 3.523,1185 3.494,1186 3.302,1187 6.473,1188 3.324,1189 3.201,1190 3.251,1191 3.418,1192 2.978,1193 5.064,1194 3,1195 2.984,1196 3.05,1197 3.284,1198 2.837,1199 5.001,1200 2.806,1201 2.899,1202 2.925,1203 3.09,1204 2.735,1205 4.864,1206 2.766,1207 2.867,1208 2.917,1209 2.916,1210 2.708,1211 4.487,1212 2.715,1213 0.15,1214 0.14,1215 0.229,1216 0.137,1217 0.109,1218 4.787,1219 0.147,1220 4.475,1221 0.12,1222 7.332,1223 0.398,1224 4.382,1225 0.1,1226 3.474,1227 4.708,1228 3.825,1229 12.722,1230 3.2,1231 1.948,1232 1.924,1233 2.015,1234 2.086,1235 1.218,1236 2.06,1237 1.889,1238 1.866,1239 1.967,1240 1.965,1241 1.057,1242 1.977,1243 1.678,1244 1.637,1245 1.759,1246 1.87,1247 0.867,1248 1.842,1249 1.527,1250 1.494,1251 1.602,1252 1.73,1253 0.698,1254 1.68,1255 1.092,1256 1.044,1257 1.223,1258 1.35,1259 0.323,1260 1.323,1261 0.886,1262 0.827,1263 1.181,1264 1.125,1265 0.218,1266 1.107,1267 0.855,1268 0.821,1269 0.996,1270 1.062,1271 0.087,1272 1.066,1273 0.847,1274 0.803,1275 0.945,1276 1.021,1277 0.077,1278 0.994,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.081,1287 10.46,1290 12.165,1291 41.015,1294 10.312,1295 -0.218,1301 -4.753,1305 29.766,1306 79.358,1307 156.612,1308 182.612,1309 198.122,1310 198.122,1311 198.122,1312 71.603,1313 7.765,1314 63.31,1315 63.31,1316 23,1317 12.873,1318 4.524,1319 3.585,1320 44.253,1321 97,1322 108,1323 0.22,1324 185.611,1325 319.24,1326 444.651,1327 23171,1328 12.5,1329 20.759,1330 0.716,1331 0.55,1332 19.259,1333 15.964,1334 13.753,1335 0.43,1336 0.282,1337 8.176,1338 12.558,1339 8.021,1340 6.535,1341 13.119,1342 9.031,1343 13.57,1344 0.283,1345 0.145,1346 12.279,1347 6.971,1348 11.002,1349 0.172,1350 0.081,1351 11.233,1352 5.167,1353 9.061,1354 0.105,1355 0.039,1356 8.865,1357 3.369,1358 7.55,1359 0.066,1360 0.02,1361 7.312,1362 2.262,1363 0.332,1364 93.55,1365 0.22,1366 26.771,1367 0.649,1368 160,1369 699.47,1370 218.569,1371 657.311,1372 849.39,1373 606,1374 192,1375 564.556,1376 244.127,1377 569.949,1378 861.56,1379 535,1380 6.2}
{0 CHEMBL2322342,1 1.976,2 9.414,3 5.654,4 31.962,5 102.692,6 9.917,7 0.5,8 3.959,9 4.048,10 3.743,11 3.502,12 5.156,13 3.52,14 4.544,15 4.674,16 4.241,17 3.924,18 6.16,19 3.929,20 4.77,21 4.944,22 4.39,23 4.087,24 6.067,25 4.05,26 4.823,27 5.021,28 4.256,29 4.049,30 6.062,31 4.013,32 4.776,33 4.964,34 4.23,35 3.972,36 6.153,37 3.97,38 4.769,39 4.911,40 4.44,41 3.944,42 6.417,43 4.004,44 4.8,45 4.979,46 4.427,47 3.896,48 6.353,49 3.931,50 4.658,51 4.841,52 4.252,53 3.76,54 6.2,55 3.768,56 0.298,57 0.853,58 4.674,59 4.188,60 41.592,61 4.15,62 1.093,63 1.708,64 13.309,65 7.504,66 157.592,67 7.653,68 1.029,69 1.546,70 26.204,71 9.612,72 104.837,73 10.934,74 1.105,75 1.676,76 29.72,77 10.002,78 110.846,79 11.613,80 1.221,81 1.731,82 27.572,83 9.567,84 148.482,85 10.111,86 1.347,87 1.781,88 19.686,89 8.507,90 172.852,91 7.789,92 1.632,93 1.666,94 29.12,95 9.436,96 199.275,97 8.312,98 1.338,99 1.426,100 26.01,101 9.231,102 169.317,103 8.677,104 38,105 48,106 0.34,107 0.675,108 0.805,109 0.843,110 0.843,111 0.843,112 3.409,113 0.91,114 -5.94,115 -5.79,116 -5.39,119 42.2,121 3,122 1,125 2,132 1,142 4,143 2,144 2,146 2,153 1,161 1,166 1,172 7,174 1,175 8,178 1,180 1,183 8,186 1,187 7,190 1,195 11,199 4,202 1,204 2,207 8,211 1,212 7,217 3,220 6,224 8,229 1,232 4,236 1,237 7,240 1,242 1,245 4,249 1,250 1,255 2,258 6,263 1,268 2,271 8,275 1365,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.003,282 22.306,283 10.842,284 19.769,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 12.758,291 24.015,292 5.161,293 17.304,294 3.516,295 1.574,296 0.817,297 0.595,298 0.595,299 0.595,300 4.098,301 2,305 1,306 585,307 3.464,310 60.95,311 249.318,314 112.999,318 1.365,319 58.614,322 0.75,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.84,330 66.667,331 273,332 4.785,333 4.475,334 7.332,335 4.382,336 3.474,337 4.702,338 3.825,339 12.722,340 3.2,341 4.317,342 3.457,343 6.635,344 3.95,345 3.051,346 3.981,347 0.86,348 10.478,349 2.805,350 4.276,351 3.302,352 6.343,353 3.86,354 2.946,355 3.637,356 0.68,357 9.454,358 2.642,359 3.876,360 2.992,361 6.1,362 3.643,363 2.697,364 3.127,366 8.881,367 2.468,368 3.614,369 2.677,370 5.701,371 3.222,372 2.297,373 2.947,375 7.391,376 2.082,377 3.262,378 2.367,379 5.02,380 2.824,381 1.908,382 2.52,384 5.594,385 1.685,386 3.019,387 2.297,388 4.78,389 2.739,390 1.821,391 2.097,393 4.874,394 1.659,395 2.867,396 1.886,397 4.543,398 2.361,399 1.428,400 2.03,402 4.423,403 1.288,404 2.782,405 1.686,406 4.146,407 2.326,408 1.414,409 1.868,411 3.297,412 1.26,413 2.504,414 1.484,415 3.869,416 2.163,417 1.24,418 1.505,420 3.17,421 1.127,422 2.179,423 1.282,424 3.539,425 1.969,426 1,427 1.142,428 2.578,429 0.963,430 2,431 1.2,432 3.247,433 1.89,434 0.981,435 1,436 2.136,437 0.879,438 1.572,439 1.04,440 3.226,441 1.217,442 0.383,443 0.437,445 0.95,446 0.266,447 1.235,448 0.51,449 2.861,450 0.781,451 -0.04,452 -0.048,454 -0.1,455 -0.03,456 1.041,457 0.51,458 2.65,459 0.575,460 -0.324,461 -0.423,463 -0.822,464 -0.274,465 13.652,466 0.471,467 1.005,468 0.035,469 33.75,470 1.164,471 14.5,472 0.5,473 19.25,474 0.664,475 28.978,476 0.999,477 32.548,478 0.723,479 28.245,480 0.974,481 6.543,482 0.226,483 7.21,484 0.249,485 0.192,486 0.037,487 0.359,490 3,493 0.641,494 0.964,495 0.507,496 0.904,497 0.633,498 0.836,499 0.564,500 0.807,501 0.575,502 0.847,503 0.393,504 0.879,505 0.595,506 0.741,507 0.687,508 0.85,509 0.482,510 0.925,511 0.715,512 0.839,513 0.937,514 0.974,515 0.704,516 0.994,517 1.018,518 1.017,519 0.921,520 0.945,521 1.083,522 0.935,523 1.076,524 1.338,525 0.71,526 1.002,527 1.043,528 0.901,529 1.29,530 1.248,531 0.911,532 0.957,533 1.429,534 0.902,535 1.166,536 1.267,537 0.867,538 1.1,539 1.268,540 1.015,541 7,542 0.103,543 4.222,544 2.444,545 2.384,546 1.514,547 1.126,548 0.763,549 0.419,550 0.194,551 9355,552 37220,553 2.041,554 35.6,555 2,556 8,559 1,560 1,561 4,564 1.729,565 1.861,566 3.2,567 -0.234,573 88.913,574 1.976,575 3.918,576 4.675,577 4.897,578 4.897,579 4.897,580 2.651,581 4.487,582 4.829,583 3.346,584 1358.6,585 8.462,586 17677.6,591 247.133,592 1.694,593 4.757,594 0.219,595 0.007,596 0.088,597 0.049,598 0.051,599 0.032,600 0.021,601 0.017,602 0.012,603 0.008,604 0.503,605 0.5,606 0.88,607 0.805,608 143.554,609 -0.044,610 -0.036,611 0.002,612 -0.007,613 -0.079,614 0.015,615 0.251,616 0.19,617 0.077,618 0.068,619 0.371,620 0.008,621 0.078,622 0.024,623 0.155,624 0.074,625 0.093,626 0.051,627 0.013,628 -0.022,629 -0.031,630 -0.046,631 -0.019,632 0.001,633 -0.079,634 0.004,635 -0.066,636 -0.005,637 -0.096,638 0.021,639 -0.004,640 -0.278,641 0.065,642 -0.098,643 0.101,644 -0.048,645 -0.071,646 -0.061,647 0.07,648 0.007,649 -0.107,650 0.008,651 0.006,652 -0.125,653 0.142,654 -0.091,655 -0.01,656 -0.03,657 5.973,658 5.695,659 0.724,660 24.692,661 1.047,662 1.146,663 4.708,664 22.169,665 0.696,666 3.497,667 3.892,668 4.174,669 4.466,670 4.754,671 4.934,672 5.088,673 5.252,674 5.371,675 5.398,676 5.787,677 0.69,678 446.28,679 3.497,680 5.081,681 5.953,682 6.868,683 7.765,684 8.687,685 9.596,686 10.522,687 11.438,688 12.367,689 6.7,697 1,699 2,703 1,704 4,705 2,709 7,711 16,728 1,730 2,731 45,733 16,734 1,735 32,737 48,738 19,739 12,740 3,741 3,746 4,747 5,748 2,752 1,755 2,756 1,757 1,758 3,761 12,762 7,763 1,779 3,781 16,782 7,783 1,784 10,785 2,790 3,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,845 2,846 3,848 29,853 1,854 5,856 1,858 1,860 1,869 5,870 4.4,872 1,874 1,877 15.583,878 8.098,879 6.111,880 2.72,881 3.116,882 1.401,883 0.975,884 5.577,885 10.88,886 3.714,887 4.379,888 4.998,889 5.625,890 6.211,891 6.64,892 7.057,893 7.514,894 7.814,895 8.06,896 1,897 50,898 11.432,900 5.692,901 8.298,902 19.72,904 16.714,905 2.798,906 81.139,910 176.567,911 83.054,912 34.612,913 78.297,914 53.683,915 44.88,917 83.054,918 308.547,919 79.493,921 16.788,922 37.905,923 88.847,924 64.93,926 176.567,927 86.057,928 176.567,929 117.667,930 98.564,931 78.297,933 129.482,934 134.648,935 11,937 32.941,938 51.277,939 111.746,941 221.447,942 88.296,943 161.351,946 184.326,947 37.39,948 39.069,950 210.309,951 176.567,952 133.176,953 161.351,955 0.603,956 0.348,957 0.182,958 0.105,959 25,960 12,961 0.063,962 3,963 1,964 1.095,965 3.816,966 273.352,967 0.095,968 21,969 132.127,974 20.579,975 7.86,976 4.005,977 -0.046,978 132.012,979 6.134,980 8.047,984 -0.321,986 42.683,987 471.094,988 40,999 47.098,1000 51.558,1001 0.36,1002 0.713,1003 0.851,1004 0.892,1005 0.892,1006 0.892,1007 5.004,1008 1.428,1009 6.004,1010 4.874,1011 4.575,1012 5.066,1013 3.146,1014 6.905,1015 4.403,1016 6.256,1017 1.414,1018 7.63,1019 4.423,1020 4.443,1021 5.112,1022 3.903,1023 8.109,1024 4.086,1025 7.609,1026 1.24,1027 9.365,1028 3.297,1029 6.301,1030 7.358,1031 5.427,1032 11.187,1033 5.975,1034 9,1035 1,1036 11.163,1037 3.17,1038 6.948,1039 8.202,1040 6.69,1041 13.175,1042 6.444,1043 10.423,1044 0.981,1045 13.001,1046 2.578,1047 8.36,1048 9.996,1049 8.058,1050 15.849,1051 7.86,1052 11.869,1053 0.383,1054 14.866,1055 2.136,1056 9.329,1057 11.202,1058 9.388,1059 18.144,1060 8.684,1061 13.333,1062 -0.04,1063 16.75,1064 0.95,1065 10.592,1066 12.826,1067 10.734,1068 20.7,1069 9.914,1070 3.474,1071 -0.324,1072 18.649,1073 -0.1,1074 11.697,1075 14.204,1076 12.074,1077 23.125,1078 10.904,1079 3.051,1080 12.722,1081 20.561,1082 -0.822,1083 12.915,1084 15.764,1085 13.416,1086 25.651,1087 12.065,1088 2.946,1089 10.478,1090 22.482,1091 4.702,1092 14.079,1093 17.224,1094 14.758,1095 28.133,1096 13.133,1097 2.697,1098 9.454,1099 24.412,1100 3.981,1101 15.288,1102 18.764,1103 16.1,1104 30.657,1105 14.272,1106 2.297,1107 8.881,1108 26.349,1109 3.637,1110 16.481,1111 20.264,1112 17.441,1113 33.167,1114 15.378,1115 1.908,1116 7.391,1117 28.292,1118 3.127,1119 17.693,1120 21.798,1121 18.783,1122 35.694,1123 16.515,1124 1.821,1125 5.594,1126 30.241,1127 2.947,1128 18.902,1129 23.319,1130 20.124,1131 38.218,1132 17.641,1133 9050,1134 18262,1135 20.69,1136 31.307,1137 49.609,1138 50.189,1139 50.962,1140 49.688,1141 49.279,1142 61.983,1143 10.731,1144 151.899,1145 44.647,1146 5.785,1147 6.475,1148 7.134,1149 5.457,1150 5.474,1151 7.702,1152 5.335,1153 20.638,1154 5.2,1155 16.57,1156 1.55,1157 1.568,1158 1.593,1159 1.553,1160 1.54,1161 1.937,1162 0.335,1163 4.747,1164 1.395,1165 4.145,1166 4.19,1167 4.167,1168 3.993,1169 8.513,1170 4.015,1171 3.896,1172 3.915,1173 4.066,1174 3.835,1175 7.999,1176 3.833,1177 3.794,1178 3.838,1179 3.701,1180 3.644,1181 7.999,1182 3.649,1183 3.489,1184 3.523,1185 3.478,1186 3.293,1187 6.473,1188 3.313,1189 3.202,1190 3.252,1191 3.418,1192 2.979,1193 5.054,1194 3,1195 3.111,1196 3.206,1197 3.284,1198 2.941,1199 4.982,1200 2.91,1201 3.048,1202 3.104,1203 3.093,1204 2.837,1205 4.611,1206 2.806,1207 2.899,1208 2.92,1209 2.941,1210 2.742,1211 4.487,1212 2.795,1213 0.15,1214 0.14,1215 0.229,1216 0.137,1217 0.109,1218 4.785,1219 0.147,1220 4.475,1221 0.12,1222 7.332,1223 0.398,1224 4.382,1225 0.1,1226 3.474,1227 4.702,1228 3.825,1229 12.722,1230 3.2,1231 1.942,1232 1.918,1233 2.049,1234 2.093,1235 1.385,1236 2.073,1237 1.879,1238 1.848,1239 1.982,1240 1.967,1241 1.21,1242 1.982,1243 1.659,1244 1.616,1245 1.783,1246 1.884,1247 0.921,1248 1.861,1249 1.526,1250 1.493,1251 1.605,1252 1.731,1253 0.825,1254 1.68,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.752,1260 1.429,1261 1.1,1262 1.051,1263 1.252,1264 1.356,1265 0.419,1266 1.336,1267 0.926,1268 0.873,1269 1.174,1270 1.243,1271 0.322,1272 1.21,1273 0.847,1274 0.827,1275 0.969,1276 1.021,1277 0.082,1278 0.997,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.081,1287 10.46,1290 12.2,1291 41.086,1294 10.366,1295 2.255,1297 5.331,1299 -0.008,1301 -4.723,1305 31.04,1306 88.913,1307 176.325,1308 210.379,1309 220.379,1310 220.379,1311 220.379,1312 76.942,1313 7.765,1314 59.65,1315 59.65,1316 23,1317 12.873,1318 4.087,1319 3.17,1320 44.253,1321 97,1322 108,1323 0.22,1324 191.595,1325 335.85,1326 459.252,1327 23171,1328 11.1,1329 20.759,1330 0.716,1331 0.57,1332 19.259,1333 16.521,1334 13.753,1335 0.43,1336 0.303,1337 8.826,1338 12.489,1339 8.679,1340 7.016,1341 13.119,1342 9.703,1343 13.57,1344 0.283,1345 0.16,1346 12.279,1347 7.661,1348 11.002,1349 0.172,1350 0.091,1351 11.233,1352 5.85,1353 9.061,1354 0.105,1355 0.046,1356 8.865,1357 3.919,1358 7.55,1359 0.066,1360 0.023,1361 7.312,1362 2.683,1363 0.332,1364 94.05,1365 0.22,1366 26.771,1367 0.649,1368 160,1369 691.561,1370 220.059,1371 638.732,1372 819.32,1373 590,1374 192,1375 534.08,1376 245.453,1377 535.5,1378 815.14,1379 503,1380 5.6}
{0 CHEMBL2322343,1 1.795,2 10.172,3 4.654,4 21.661,5 100.503,6 8.315,7 0.5,8 4.03,9 4.131,10 3.664,11 3.511,12 5.221,13 3.535,14 4.606,15 4.755,16 4.139,17 3.926,18 6.19,19 3.937,20 4.819,21 5,22 4.158,23 4.088,24 6.01,25 4.068,26 4.952,27 5.159,28 4.158,29 4.101,30 6.217,31 4.074,32 4.962,33 5.193,34 4.096,35 4.007,36 6.258,37 3.991,38 4.829,39 5.021,40 4.01,41 3.909,42 6.107,43 3.919,44 4.784,45 4.986,46 3.989,47 3.846,48 6.043,49 3.855,50 4.738,51 4.942,52 4.015,53 3.731,54 6.384,55 3.731,56 0.252,57 0.925,58 8.508,59 4.803,60 39.058,61 5.192,62 1.047,63 1.815,64 19.094,65 8.036,66 156.748,67 9.364,68 0.744,69 1.719,70 24.128,71 9.895,72 76.648,73 12.258,74 0.97,75 1.956,76 29.823,77 10.891,78 109.336,79 13.367,80 1.29,81 1.858,82 34.161,83 10.838,84 176.239,85 13.069,86 1.139,87 1.545,88 27.712,89 8.486,90 153.132,91 9.593,92 1.007,93 1.452,94 25.922,95 7.522,96 113.062,97 9.442,98 1.5,99 1.464,100 26.47,101 7.744,102 183.472,103 10.037,104 38,105 48,106 0.304,107 0.639,108 0.8,109 0.835,110 0.842,111 0.842,112 3.409,113 0.871,114 -5.49,115 -5.37,116 -5.01,119 40.8,120 1,121 3,122 1,125 2,132 1,142 4,143 4,146 1,147 1,153 1,161 1,166 1,172 11,174 1,175 8,178 2,180 2,183 13,186 1,187 7,190 2,192 1,195 12,199 4,202 2,204 3,207 7,211 1,212 10,216 1,217 6,220 5,224 11,229 5,232 4,236 1,237 4,240 1,242 5,245 6,249 1,250 1,255 3,258 10,263 1,266 1,268 1,271 8,275 1320,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.003,282 23.013,283 10.831,284 19.607,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 12.758,291 25.122,292 5.135,293 16.893,294 3.819,295 1.838,296 0.888,297 0.684,298 0.643,299 0.643,300 4.098,304 1,305 1,306 633,307 3.464,310 61.673,311 252.88,314 113.105,318 1.57,319 57.429,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 67,331 295,332 4.707,333 4.472,334 7.265,335 4.296,336 3.396,337 4.674,338 3.825,339 12.293,340 3.149,341 4.571,342 3.427,343 6.849,344 4.205,345 3.267,346 4.117,347 0.86,348 11.388,349 3.044,350 4.038,351 3.107,352 6.161,353 3.783,354 2.808,355 3.458,356 0.68,357 9.101,358 2.736,359 3.896,360 2.958,361 6.054,362 3.595,363 2.656,364 3.152,366 8.599,367 2.434,368 3.674,369 2.637,370 5.795,371 3.292,372 2.356,373 3.011,375 7.602,376 2.186,377 3.191,378 2.302,379 4.985,380 2.778,381 1.861,382 2.434,384 5.368,385 1.703,386 2.96,387 2.06,388 4.781,389 2.603,390 1.691,391 2.081,393 4.918,394 1.537,395 2.916,396 1.93,397 4.54,398 2.553,399 1.616,400 2.018,402 4.541,403 1.476,404 2.854,405 1.514,406 4.157,407 2.414,408 1.414,409 1.975,411 3.34,412 1.414,413 2.515,414 1.444,415 3.875,416 2.158,417 1.223,418 1.519,420 3.169,421 1.132,422 2.203,423 1.311,424 3.53,425 1.969,426 1.031,427 1.175,428 2.625,429 0.963,430 2,431 1.2,432 3.247,433 1.949,434 1,435 1,436 2.136,437 0.937,438 1.558,439 0.701,440 3.23,441 1.292,442 0.325,443 0.386,445 0.863,446 0.312,447 1.214,448 0.51,449 2.879,450 0.894,451 -0.053,452 -0.062,454 -0.131,455 -0.049,456 0.939,457 0.51,458 2.709,459 0.542,460 -0.413,461 -0.533,463 -1.099,464 -0.39,465 13.057,466 0.45,467 1.005,468 0.035,469 34,470 1.172,471 15,472 0.517,473 19,474 0.655,475 27.486,476 0.948,477 33.143,478 0.676,479 28.999,480 1,481 6.678,482 0.23,483 7.075,484 0.244,485 0.155,486 0.038,487 0.375,490 3,493 0.688,494 0.99,495 0.674,496 1.083,497 0.688,498 0.939,499 0.516,500 0.794,501 0.67,502 0.972,503 0.375,504 0.923,505 0.631,506 0.906,507 0.801,508 1.067,509 0.528,510 1.031,511 0.829,512 1.047,513 0.969,514 1.128,515 0.793,516 1.108,517 1.067,518 1.041,519 0.991,520 0.949,521 1.112,522 0.927,523 1.312,524 0.992,525 1.217,526 0.964,527 1.263,528 1.012,529 0.977,530 0.859,531 1.042,532 0.923,533 0.879,534 0.964,535 0.702,536 0.626,537 0.89,538 0.926,539 0.792,540 0.993,541 7,542 0.169,543 4.222,544 2.889,545 1.987,546 1.306,547 0.755,548 0.69,549 0.402,550 0.274,551 9877,552 34660,553 2.041,554 40.8,555 5,556 8,559 2,560 1,561 4,564 1.724,565 1.861,566 3.324,567 0.296,573 87.979,574 1.795,575 3.777,576 4.727,577 4.931,578 4.972,579 4.972,580 2.76,581 4.418,582 4.831,583 3.487,584 1415.53,585 8.438,586 18537.2,588 1,591 275.121,592 1.694,593 4.757,594 0.219,595 0.008,596 0.088,597 0.058,598 0.042,599 0.03,600 0.018,601 0.018,602 0.011,603 0.011,604 0.503,605 0.33,606 0.88,607 0.805,608 145.065,609 -0.059,610 -0.026,611 0.015,612 0.018,613 -0.103,614 0.036,615 0.305,616 0.225,617 0.157,618 0.075,619 0.378,620 0.047,621 0.004,622 -0.091,623 0.027,624 -0.059,625 0.03,626 -0.027,627 -0.058,628 -0.14,629 -0.063,630 -0.147,631 -0.022,632 -0.115,633 -0.094,634 -0.039,635 0.017,636 0.024,637 -0.089,638 0.068,639 -0.298,640 -0.054,641 -0.263,642 -0.025,643 -0.243,644 -0.092,645 -0.14,646 -0.097,647 -0.114,648 -0.044,649 -0.106,650 -0.05,651 0.379,652 0.318,653 0.123,654 0.001,655 0.286,656 -0.06,657 5.712,658 5.23,659 0.724,660 24.535,661 1.034,662 1.149,663 4.264,664 18.178,665 0.649,666 3.497,667 3.892,668 4.174,669 4.466,670 4.7,671 4.796,672 4.99,673 5.153,674 5.22,675 5.313,676 6.177,677 0.645,678 407.43,679 3.497,680 5.081,681 5.953,682 6.868,683 7.76,684 8.677,685 9.578,686 10.495,687 11.401,688 12.32,689 6.1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,728 2,731 49,733 16,734 1,735 32,737 52,738 20,739 12,740 3,741 3,746 4,747 5,752 2,755 2,756 1,757 1,758 3,761 12,762 8,763 1,778 1,779 3,781 20,782 8,783 2,784 9,790 3,794 0.75,795 3,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 1,846 3,848 29,853 2,854 5,856 1,858 1,860 1,869 3,870 6.1,872 2,874 1,877 15.583,878 9.012,879 6.111,880 2.949,881 3.194,882 1.408,883 0.949,884 5.176,885 11.021,886 3.714,887 4.379,888 4.998,889 5.625,890 6.174,891 6.533,892 6.983,893 7.414,894 7.662,895 7.983,896 0.857,897 50,898 11.281,900 5.469,901 8.29,902 19.849,904 16.814,905 2.79,906 80.917,908 1,909 1,910 211.88,911 88.492,912 34.612,914 96.367,915 44.88,917 88.492,918 308.246,919 79.493,920 8.825,921 16.788,922 37.905,923 131.53,924 61.543,926 211.88,927 7.76,928 211.88,929 123.105,930 141.247,933 164.795,934 177.331,935 11,937 39.009,938 50.647,939 33.449,941 256.76,942 130.979,943 88.492,946 219.639,947 34.003,948 47.894,950 174.695,951 211.88,952 175.859,953 88.492,955 0.603,956 0.351,957 0.189,958 0.102,959 25,960 12,961 0.058,962 3,963 1,964 1.095,965 3.859,966 269.329,967 0.095,968 21,969 132.127,974 19.994,975 7.508,976 3.792,977 0.237,978 174.695,979 5.457,980 8.489,984 0.153,986 85.367,987 476.232,988 40,999 50.661,1000 56.294,1001 0.32,1002 0.673,1003 0.842,1004 0.878,1005 0.885,1006 0.885,1007 5.004,1008 1.616,1009 6.004,1010 4.918,1011 4.575,1012 5.066,1013 3.146,1014 6.905,1015 4.452,1016 6.256,1017 1.414,1018 7.63,1019 4.541,1020 4.443,1021 5.112,1022 3.903,1023 8.109,1024 4.184,1025 7.609,1026 1.223,1027 9.365,1028 3.34,1029 6.301,1030 7.358,1031 5.427,1032 11.183,1033 6.056,1034 9,1035 1.031,1036 11.163,1037 3.169,1038 6.948,1039 8.202,1040 6.69,1041 13.166,1042 6.574,1043 10.423,1044 1,1045 13.001,1046 2.625,1047 8.36,1048 9.996,1049 8.058,1050 15.829,1051 7.973,1052 11.869,1053 0.325,1054 14.865,1055 2.136,1056 9.329,1057 11.202,1058 9.388,1059 18.109,1060 8.832,1061 13.333,1062 -0.053,1063 16.749,1064 0.863,1065 10.59,1066 12.824,1067 10.734,1068 20.645,1069 10.053,1070 3.396,1071 -0.413,1072 18.647,1073 -0.131,1074 11.692,1075 14.2,1076 12.074,1077 23.045,1078 11.06,1079 3.267,1080 12.293,1081 20.557,1082 -1.099,1083 12.904,1084 15.757,1085 13.416,1086 25.542,1087 12.215,1088 2.808,1089 11.388,1090 22.476,1091 4.674,1092 14.061,1093 17.212,1094 14.758,1095 27.992,1096 13.287,1097 2.656,1098 9.101,1099 24.403,1100 4.117,1101 15.261,1102 18.746,1103 16.1,1104 30.48,1105 14.419,1106 2.356,1107 8.599,1108 26.336,1109 3.458,1110 16.443,1111 20.239,1112 17.441,1113 32.952,1114 15.52,1115 1.861,1116 7.602,1117 28.275,1118 3.152,1119 17.641,1120 21.767,1121 18.783,1122 35.44,1123 16.646,1124 1.691,1125 5.368,1126 30.218,1127 3.011,1128 18.835,1129 23.279,1130 20.124,1131 37.922,1132 17.761,1133 9527,1134 18025,1135 20.69,1136 31.807,1137 49.668,1138 49.538,1139 50.941,1140 49.56,1141 49.288,1142 62,1143 10.731,1144 151.883,1145 46.042,1146 5.707,1147 6.472,1148 7.067,1149 5.371,1150 5.396,1151 7.674,1152 5.335,1153 20.015,1154 5.149,1155 16.803,1156 1.552,1157 1.548,1158 1.592,1159 1.549,1160 1.54,1161 1.938,1162 0.335,1163 4.746,1164 1.439,1165 4.136,1166 4.18,1167 4.116,1168 3.99,1169 8.513,1170 4.01,1171 3.945,1172 3.972,1173 3.908,1174 3.85,1175 7.999,1176 3.861,1177 3.789,1178 3.834,1179 3.679,1180 3.632,1181 7.999,1182 3.638,1183 3.426,1184 3.459,1185 3.391,1186 3.263,1187 6.487,1188 3.275,1189 3.297,1190 3.335,1191 3.27,1192 3.045,1193 6.461,1194 3.073,1195 3.17,1196 3.256,1197 2.986,1198 2.998,1199 4.958,1200 2.995,1201 3.111,1202 3.206,1203 2.924,1204 2.941,1205 4.673,1206 2.91,1207 3.036,1208 3.099,1209 2.866,1210 2.742,1211 4.605,1212 2.779,1213 0.147,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.707,1219 0.146,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.296,1225 0.098,1226 3.396,1227 4.674,1228 3.825,1229 12.293,1230 3.149,1231 1.97,1232 1.947,1233 2.07,1234 2.096,1235 1.386,1236 2.08,1237 1.897,1238 1.86,1239 2.035,1240 2.028,1241 1.264,1242 2.03,1243 1.661,1244 1.617,1245 1.792,1246 1.886,1247 0.953,1248 1.866,1249 1.467,1250 1.435,1251 1.596,1252 1.665,1253 0.825,1254 1.635,1255 1.21,1256 1.133,1257 1.55,1258 1.429,1259 0.752,1260 1.469,1261 1.153,1262 1.064,1263 1.513,1264 1.418,1265 0.603,1266 1.429,1267 1.084,1268 1.046,1269 1.223,1270 1.376,1271 0.416,1272 1.335,1273 0.984,1274 0.926,1275 1.163,1276 1.279,1277 0.23,1278 1.258,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.034,1287 10.46,1289 1.402,1291 39.69,1294 20.677,1295 2.711,1297 5.358,1299 0.097,1301 -4.462,1305 31.627,1306 87.979,1307 185.063,1308 231.611,1309 241.611,1310 243.611,1311 243.611,1312 76.066,1313 7.826,1314 79.88,1315 79.88,1316 23,1317 12.832,1318 4.087,1319 3.17,1320 44.513,1321 106,1322 108,1323 0.205,1324 188.518,1325 331.52,1326 451.744,1327 26396,1328 6.1,1329 20.759,1330 0.716,1331 0.541,1332 18.259,1333 15.7,1334 13.753,1335 0.43,1336 0.29,1337 9.097,1338 12.97,1339 8.958,1340 7.302,1341 12.542,1342 9.293,1343 13.57,1344 0.283,1345 0.151,1346 11.574,1347 7.228,1348 10.927,1349 0.171,1350 0.085,1351 10.222,1352 5.422,1353 9.376,1354 0.109,1355 0.044,1356 8.392,1357 3.786,1358 7.537,1359 0.069,1360 0.023,1361 6.969,1362 2.535,1363 0.315,1364 88.277,1365 0.22,1366 27.027,1367 0.584,1368 160,1369 671.304,1370 191.235,1371 559.422,1372 732.6,1373 518,1374 192,1375 519.384,1376 217.53,1377 501.629,1378 761.53,1379 471,1380 5.7}
{0 CHEMBL2322344,1 1.796,2 9.37,3 4.962,4 24.623,5 103.133,6 9.787,7 0.733,8 3.86,9 3.947,10 3.654,11 3.457,12 5.094,13 3.46,14 4.334,15 4.458,16 4.059,17 3.84,18 5.55,19 3.829,20 4.514,21 4.646,22 4.281,23 3.979,24 5.775,25 3.944,26 4.593,27 4.758,28 4.077,29 3.944,30 5.784,31 3.897,32 4.541,33 4.695,34 4.05,35 3.899,36 5.742,37 3.863,38 4.605,39 4.768,40 4.192,41 3.884,42 5.866,43 3.88,44 4.563,45 4.724,46 4.125,47 3.859,48 5.838,49 3.816,50 4.475,51 4.676,52 3.87,53 3.751,54 5.64,55 3.648,56 0.138,57 0.591,58 4.376,59 3.2,60 9.618,61 3.351,62 0.354,63 0.929,64 10.119,65 5.337,66 19.797,67 5.727,68 0.454,69 1.071,70 18.031,71 6.741,72 35.402,73 7.279,74 0.574,75 1.124,76 22.22,77 7.398,78 46.184,79 7.78,80 0.479,81 1.081,82 18.766,83 7.198,84 36.559,85 7.923,86 0.678,87 1.122,88 19.629,89 7.181,90 52.321,91 7.044,92 0.653,93 1.048,94 18.038,95 7.212,96 51.846,97 7.429,98 0.554,99 0.901,100 23.771,101 7.914,102 50.385,103 9.069,104 18,105 43,106 0.311,107 0.669,108 0.799,109 0.864,110 0.864,111 0.864,112 3.341,113 0.883,114 -5.42,115 -5.3,116 -4.96,119 46.3,121 1,124 1,142 6,143 3,144 2,145 2,146 1,147 1,153 1,161 1,166 1,172 7,174 2,175 9,178 1,180 1,183 8,186 2,187 8,190 1,195 11,198 1,199 5,202 1,204 2,207 8,211 1,212 9,215 1,217 3,220 6,224 11,229 1,232 4,236 1,237 11,240 1,242 1,245 4,249 1,250 1,255 2,258 6,262 1,263 1,268 2,271 8,275 1093,276 18.37,277 18.37,278 18.37,279 18.37,280 18.37,281 15.65,282 13.083,283 10.665,284 19.014,285 14.727,286 14.727,287 14.727,288 14.727,289 14.727,290 10.668,291 14.044,292 4.972,293 15.84,294 3.561,295 1.491,296 0.738,297 0.36,298 0.36,299 0.36,300 4.036,301 2,304 1,305 1,306 547,307 2.646,310 55.972,311 228.979,314 102.799,318 1.421,319 29.202,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 58.667,331 253,332 4.715,333 3.495,334 6.871,335 4.232,336 3.286,337 4.684,338 0.86,339 11.501,340 3.11,341 4.318,342 3.347,343 6.344,344 3.87,345 2.947,346 3.982,347 0.68,348 9.471,349 2.768,350 4.151,351 2.905,352 6.147,353 3.749,354 2.783,355 3.745,357 9.052,358 2.614,359 3.783,360 2.633,361 5.859,362 3.343,363 2.412,364 3.252,366 7.864,367 2.229,368 3.346,369 2.488,370 5.115,371 2.881,372 1.971,373 2.718,375 5.805,376 1.763,377 3.263,378 2.167,379 5.02,380 2.784,381 1.864,382 2.521,384 5.574,385 1.672,386 3.166,387 1.885,388 4.543,389 2.678,390 1.749,391 2.424,393 4.593,394 1.611,395 2.867,396 1.8,397 4.217,398 2.36,399 1.414,400 2.029,402 3.446,403 1.285,404 2.684,405 1.497,406 3.87,407 2.195,408 1.244,409 1.767,411 3.174,412 1.172,413 2.5,414 1.204,415 3.548,416 2.01,417 1.084,418 1.5,420 2.669,421 0.993,422 2.455,423 1.056,424 3.247,425 1.984,426 1,427 1.44,428 2.136,429 0.983,430 1.75,431 1,432 3.237,433 1.417,434 0.537,435 0.632,436 1.169,437 0.461,438 1.477,439 0.916,440 2.85,441 1.106,442 0.319,443 0.355,445 0.605,446 0.208,447 1.167,448 0.339,449 2.641,450 0.729,451 -0.101,452 -0.122,454 -0.212,455 -0.078,456 1.038,457 0.01,458 2.585,459 0.57,460 -0.328,461 -0.429,463 -0.819,464 -0.279,465 13.195,466 0.489,467 0.678,468 0.025,469 39,470 1.444,471 21,472 0.778,473 18,474 0.667,475 20.809,476 0.771,477 27.605,478 0.673,479 28.638,480 1.061,481 7.831,482 0.29,483 5.248,484 0.194,485 0.171,487 0.371,493 0.79,494 1.173,495 0.512,496 0.834,497 0.832,498 0.769,499 0.844,500 1.069,501 0.597,502 0.729,503 0.705,504 0.736,505 0.835,506 1.132,507 0.759,508 0.919,509 0.858,510 0.919,511 1.19,512 0.957,513 1.147,514 0.977,515 1.107,516 0.999,517 0.972,518 1.189,519 0.975,520 1.135,521 0.86,522 1.079,523 1.26,524 1.047,525 0.733,526 0.859,527 1.288,528 0.829,529 1.078,530 1.018,531 0.855,532 1.027,533 1.28,534 1.059,535 1.054,536 0.795,537 1.088,538 0.982,539 0.99,540 1.024,541 5,542 0.078,543 3.556,544 2.139,545 1.814,546 1.118,547 0.77,548 0.506,549 0.28,550 0.146,551 8117,552 28397,553 2.097,554 34.1,555 2,556 9,558 2,559 1,564 1.708,565 1.952,566 3.227,567 -0.272,573 73.646,574 1.796,575 3.867,576 4.619,577 4.998,578 4.998,579 4.998,580 2.683,581 4.459,582 4.727,583 3.353,584 1177,585 8.242,586 14629,588 1,591 219.66,592 1.447,593 4.681,594 0.167,595 0.006,596 0.083,597 0.046,598 0.044,599 0.027,600 0.018,601 0.014,602 0.01,603 0.007,604 0.422,605 0.17,606 1,607 0.76,608 131.193,609 -0.053,610 -0.09,611 0.005,612 -0.023,613 -0.129,614 0.001,615 0.009,616 0.004,617 0.053,618 0.126,619 -0.014,620 0.094,621 0.059,622 -0.09,623 0.106,624 -0.014,625 0.043,626 -0.047,627 -0.186,628 0.076,629 -0.204,630 -0.041,631 -0.154,632 -0.081,633 -0.028,634 -0.18,635 -0.132,636 -0.212,637 0.031,638 -0.163,639 -0.077,640 -0.018,641 0.085,642 0.059,643 -0.064,644 0.074,645 0.043,646 -0.025,647 0.025,648 -0.084,649 -0.04,650 -0.131,651 -0.034,652 0.093,653 0.019,654 0.077,655 0.043,656 0.064,657 1.714,658 4.454,659 0.778,660 22.499,661 1.025,662 1.117,663 4.195,664 17.595,665 0.737,666 3.434,667 3.784,668 4.111,669 4.394,670 4.663,671 4.796,672 4.956,673 5.118,674 5.209,675 5.231,676 5.725,677 0.715,678 401.27,679 3.434,680 4.99,681 5.866,682 6.763,683 7.66,684 8.565,685 9.47,686 10.381,687 11.291,688 12.205,689 9.8,697 1,699 3,703 1,704 8,705 3,709 8,711 22,728 1,729 1,730 2,731 41,733 22,734 1,735 30,737 44,738 19,739 17,740 3,741 3,746 4,747 5,748 2,758 1,761 17,762 2,781 14,782 5,783 1,784 8,785 2,790 4,794 0.75,795 2,803 1,805 1,806 1,811 1,812 3,815 1,840 3,844 1,845 2,848 27,853 1,854 1,856 1,869 2,870 4.9,872 1,875 1,877 13.833,878 7.869,879 5.944,880 2.26,881 4.009,882 1.524,883 0.989,884 4.912,885 11.658,886 3.738,887 4.422,888 5.087,889 5.725,890 6.317,891 6.694,892 7.184,893 7.688,894 8.06,895 8.415,896 1,897 46,898 9.909,900 4.263,901 7.842,902 18.52,904 15.085,905 2.342,906 63.222,909 1,910 153.024,911 114.215,912 51.398,913 78.297,914 53.683,917 114.215,918 285.005,919 51.398,920 10.883,921 2.535,922 56.857,923 118.175,924 49.573,925 4.815,926 129.482,927 78.297,928 153.024,929 165.613,930 53.683,931 78.297,933 153.024,934 53.683,937 26.265,938 89.113,939 128.531,941 153.024,942 105.081,943 192.512,946 153.024,947 28.379,948 86.999,950 182.215,951 153.024,952 105.081,953 192.512,955 0.585,956 0.359,957 0.194,958 0.109,959 22,960 10,961 0.091,962 4,963 1,964 1.095,965 3.762,966 243.595,967 0.095,968 21,969 124.382,974 18.046,975 7.35,976 3.34,977 0.481,978 103.917,979 13.957,980 12.996,984 4.196,986 42.683,987 450.617,988 41,999 42.011,1000 45.791,1001 0.335,1002 0.722,1003 0.862,1004 0.933,1005 0.933,1006 0.933,1007 4.973,1008 1.414,1009 5.866,1010 4.593,1011 4.466,1012 5.109,1013 1.225,1014 6.723,1015 4.329,1016 6.215,1017 1.244,1018 7.456,1019 3.446,1020 4.111,1021 5.007,1023 7.7,1024 3.862,1025 7.548,1026 1.084,1027 9.148,1028 3.174,1029 6.103,1030 7.42,1031 0.925,1032 10.837,1033 5.859,1034 8.922,1035 1,1036 10.897,1037 2.669,1038 6.581,1039 8.161,1041 12.638,1042 6.229,1043 10.328,1044 0.537,1045 12.684,1046 2.136,1047 8.047,1048 10.042,1049 0.697,1050 15.295,1051 7.694,1052 11.758,1053 0.319,1054 14.495,1055 1.169,1056 8.899,1057 11.186,1059 17.441,1060 8.454,1061 13.207,1062 -0.101,1063 16.324,1064 0.605,1065 10.166,1066 12.85,1067 0.525,1068 19.934,1069 9.7,1070 3.286,1071 -0.328,1072 18.166,1073 -0.212,1074 11.187,1075 14.192,1077 22.233,1078 10.645,1079 2.947,1080 11.501,1081 20.019,1082 -0.819,1083 12.38,1084 15.768,1085 0.395,1086 24.673,1087 11.803,1088 2.783,1089 9.471,1090 21.879,1091 4.684,1092 13.478,1093 17.206,1095 27.042,1096 12.835,1097 2.412,1098 9.052,1099 23.747,1100 3.982,1101 14.646,1102 18.749,1103 0.298,1104 29.469,1105 13.959,1106 1.971,1107 7.864,1108 25.621,1109 3.745,1110 15.78,1111 20.235,1113 31.871,1114 15.033,1115 1.864,1116 5.805,1117 27.5,1118 3.252,1119 16.943,1120 21.768,1121 0.224,1122 34.297,1123 16.147,1124 1.749,1125 5.574,1126 29.384,1127 2.718,1128 18.095,1129 23.279,1131 36.716,1132 17.243,1133 7780,1134 14691,1135 19.997,1136 30.216,1137 45.417,1138 46.876,1139 47.233,1140 45.387,1141 45.219,1142 62.099,1143 3.08,1144 134.116,1145 41.734,1146 5.503,1147 5.495,1148 6.673,1149 5.305,1150 5.286,1151 7.684,1152 1.72,1153 18.834,1154 5.11,1155 13.096,1156 1.514,1157 1.563,1158 1.574,1159 1.513,1160 1.507,1161 2.07,1162 0.103,1163 4.471,1164 1.391,1165 4.136,1166 4.178,1167 4.161,1168 3.988,1169 6.473,1170 4.01,1171 3.901,1172 3.921,1173 4.062,1174 3.846,1175 5.106,1176 3.843,1177 3.819,1178 3.86,1179 3.778,1180 3.693,1181 5.017,1182 3.708,1183 3.421,1184 3.453,1185 3.437,1186 3.269,1187 4.891,1188 3.279,1189 3.195,1190 3.264,1191 3.348,1192 2.963,1193 4.56,1194 2.964,1195 3.013,1196 3.087,1197 3.248,1198 2.838,1199 4.487,1200 2.819,1201 2.899,1202 2.925,1203 2.966,1204 2.82,1205 4.275,1206 2.806,1207 2.875,1208 2.917,1209 2.907,1210 2.735,1211 4.155,1212 2.715,1213 0.157,1214 0.116,1215 0.229,1216 0.141,1217 0.11,1218 4.715,1219 0.156,1220 3.495,1221 0.029,1222 6.871,1223 0.383,1224 4.232,1225 0.104,1226 3.286,1227 4.684,1228 0.86,1229 11.501,1230 3.11,1231 1.947,1232 1.922,1233 2.014,1234 2.086,1235 1.212,1236 2.06,1237 1.889,1238 1.865,1239 1.966,1240 1.963,1241 1.057,1242 1.976,1243 1.677,1244 1.635,1245 1.758,1246 1.868,1247 0.856,1248 1.842,1249 1.477,1250 1.447,1251 1.639,1252 1.694,1253 0.687,1254 1.674,1255 1.171,1256 1.098,1257 1.509,1258 1.428,1259 0.574,1260 1.46,1261 0.915,1262 0.841,1263 1.181,1264 1.184,1265 0.218,1266 1.157,1267 0.886,1268 0.827,1269 1.052,1270 1.062,1271 0.182,1272 1.107,1273 0.848,1274 0.821,1275 0.995,1276 1.021,1277 0.08,1278 1.011,1279 4.111,1281 5.451,1282 2.398,1283 6.997,1284 4.844,1285 8.634,1286 7.05,1287 10.317,1289 1.52,1290 12.469,1294 10.454,1295 0.401,1297 5.404,1305 29.331,1306 73.646,1307 158.54,1308 189.395,1309 204.905,1310 204.905,1311 204.905,1312 43.928,1313 7.649,1314 72.54,1315 72.54,1316 23,1317 12.719,1318 4.524,1319 3.585,1320 39.901,1321 91,1322 94,1323 0.215,1324 186.013,1325 309.82,1326 445.631,1327 20709,1328 4.9,1329 18.966,1330 0.702,1331 0.583,1332 19.966,1333 15.738,1334 13.08,1335 0.436,1336 0.294,1337 8.006,1338 12.029,1339 7.756,1340 6.403,1341 13.657,1342 8.827,1343 11.766,1344 0.274,1345 0.154,1346 12.47,1347 6.634,1348 10.552,1349 0.176,1350 0.084,1351 11.563,1352 5.055,1353 8.67,1354 0.108,1355 0.041,1356 9.143,1357 3.278,1358 7.197,1359 0.069,1360 0.021,1361 7.54,1362 2.189,1363 0.327,1364 88.376,1365 0.224,1366 25.367,1367 0.624,1368 146,1369 470.872,1370 190.541,1371 515.284,1372 689.83,1373 480,1374 176,1375 471.101,1376 220.073,1377 496.142,1378 731.14,1379 465,1380 6.8}
{0 CHEMBL2322345,1 1.775,2 9.346,3 4.075,4 16.607,5 102.104,6 8.939,7 0.552,8 3.92,9 4.026,10 3.633,11 3.476,12 5.05,13 3.465,14 4.46,15 4.604,16 4.056,17 3.904,18 5.555,19 3.868,20 4.728,21 4.914,22 4.266,23 4.065,24 5.838,25 3.993,26 4.765,27 4.983,28 4.036,29 4.018,30 5.825,31 3.925,32 4.673,33 4.883,34 3.995,35 3.927,36 5.779,37 3.855,38 4.66,39 4.84,40 4.118,41 3.886,42 5.864,43 3.85,44 4.653,45 4.867,46 4.03,47 3.835,48 5.823,49 3.76,50 4.513,51 4.739,52 3.753,53 3.702,54 5.599,55 3.582,56 0.131,57 0.652,58 6.996,59 3.791,60 13.345,61 4.498,62 0.319,63 1.047,64 15.065,65 6.912,66 23.706,67 8.444,68 0.551,69 1.275,70 28.9,71 9.262,72 49.449,73 11.475,74 0.569,75 1.291,76 31.122,77 9.372,78 54.16,79 12.078,80 0.495,81 1.189,82 27.274,83 8.589,84 51.555,85 11.154,86 0.629,87 1.156,88 23.11,89 7.238,90 63.724,91 8.596,92 0.736,93 1.085,94 27.979,95 7.777,96 65.447,97 9.945,98 0.518,99 0.908,100 24.818,101 7.692,102 54.908,103 9.766,104 17,105 42,106 0.307,107 0.685,108 0.811,109 0.85,110 0.85,111 0.85,112 3.305,113 0.949,114 -5.43,115 -5.31,116 -4.96,119 40.9,121 3,122 1,125 2,142 4,143 2,144 2,146 1,147 1,153 1,161 1,163 1,164 1,165 1,166 1,172 7,174 1,175 8,177 1,178 2,180 2,183 8,185 1,186 1,187 7,189 1,190 2,192 1,195 11,197 1,199 4,201 1,202 2,204 3,207 8,209 1,211 1,212 7,216 1,217 5,219 1,220 6,222 2,224 8,229 4,232 4,234 3,236 1,237 7,240 1,242 5,245 4,247 4,249 1,250 1,255 2,258 6,263 1,265 1,266 1,268 2,271 8,275 980,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.44,282 20.75,283 10.14,284 18.075,285 14.289,286 14.289,287 14.289,288 14.289,289 14.289,290 11.211,291 22.234,292 4.813,293 15.365,294 3.684,295 1.501,296 0.773,297 0.545,298 0.545,299 0.545,300 4,301 2,304 1,305 1,306 528,307 2.449,310 53.483,311 218.81,314 97.699,318 1.45,319 31.25,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 56.667,331 243,332 4.705,333 3.479,334 6.851,335 4.226,336 3.276,337 4.674,338 0.86,339 11.399,340 3.114,341 4.316,342 3.337,343 6.344,344 3.87,345 2.947,346 3.981,347 0.68,348 9.467,349 2.765,350 4.009,351 3.03,352 6.137,353 3.743,354 2.775,355 3.446,357 9.011,358 2.612,359 3.7,360 2.691,361 5.822,362 3.329,363 2.391,364 3.046,366 7.712,367 2.225,368 3.271,369 2.407,370 5.02,371 2.858,372 1.941,373 2.522,375 5.607,376 1.732,377 3.19,378 2.298,379 4.981,380 2.765,381 1.848,382 2.434,384 5.368,385 1.662,386 2.945,387 1.903,388 4.543,389 2.614,390 1.691,391 2.03,393 4.56,394 1.557,395 2.867,396 1.862,397 4.16,398 2.36,399 1.414,400 2.017,402 3.387,403 1.285,404 2.529,405 1.49,406 3.869,407 2.174,408 1.243,409 1.537,411 3.173,412 1.142,413 2.206,414 1.328,415 3.529,416 1.969,417 1.049,418 1.18,420 2.632,421 0.963,422 2,423 1.2,424 3.247,425 1.96,426 1,427 1,428 2.136,429 0.942,430 1.607,431 1.043,432 3.177,433 1.269,434 0.408,435 0.47,436 1.018,437 0.304,438 1.292,439 0.446,440 2.749,441 0.849,442 0.043,443 0.051,445 0.102,446 0.03,447 1.047,448 0.024,449 2.609,450 0.581,451 -0.314,452 -0.409,454 -0.779,455 -0.263,456 0.8,457 -0.185,458 2.369,459 0.405,460 -0.527,461 -0.616,463 -1.314,464 -0.462,465 12.695,466 0.488,467 0.716,468 0.028,469 32.25,470 1.24,471 15,472 0.577,473 17.25,474 0.663,475 23.846,476 0.917,477 28.105,478 0.639,479 22.947,480 0.883,481 6.085,482 0.234,483 6.457,484 0.248,485 0.17,487 0.386,493 0.825,494 1.162,495 0.558,496 0.846,497 0.899,498 0.811,499 0.822,500 1.173,501 0.614,502 0.884,503 0.61,504 0.884,505 0.886,506 1.078,507 0.736,508 0.879,509 0.785,510 0.924,511 0.952,512 0.975,513 1.015,514 0.964,515 0.928,516 0.999,517 0.865,518 1.14,519 0.876,520 0.985,521 0.91,522 0.959,523 1.315,524 1.219,525 0.825,526 0.961,527 1.619,528 0.991,529 0.975,530 0.972,531 0.914,532 0.927,533 1.133,534 0.953,535 0.958,536 0.884,537 0.955,538 0.983,539 1.043,540 1.041,541 5,542 0.066,543 3.556,544 2.139,545 1.689,546 1.063,547 0.674,548 0.459,549 0.259,550 0.136,551 7504,552 24069,553 2.101,554 40.9,555 2,556 8,559 3,560 1,561 4,564 1.696,565 1.95,566 3.225,567 1.012,569 1,573 78.098,574 1.775,575 3.958,576 4.687,577 4.914,578 4.914,579 4.914,580 2.687,581 4.393,582 4.673,583 3.353,584 1089.82,585 8.123,586 13167.4,588 1,590 1,591 240.215,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.049,598 0.044,599 0.028,600 0.018,601 0.014,602 0.011,603 0.008,604 0.434,605 0.33,606 1,607 0.596,608 124.972,609 -0.074,610 0.038,611 0.002,612 0.047,613 -0.122,614 0.05,615 0.014,616 -0.069,617 0.049,618 0.036,619 0.054,620 0.023,621 0.014,622 -0.04,623 0.12,624 0.069,625 0.06,626 0.023,627 -0.105,628 0.054,629 -0.102,630 -0.022,631 -0.055,632 -0.037,633 -0.009,634 -0.119,635 -0.023,636 -0.048,637 0.029,638 0.002,639 -0.15,640 -0.149,641 -0.026,642 -0.077,643 -0.2,644 -0.119,645 0.09,646 0.038,647 0.029,648 0.004,649 0.045,650 -0.014,651 0.001,652 0.061,653 -0.001,654 -0.008,655 -0.007,656 -0.044,657 1.647,658 4.412,659 0.808,660 21,661 1.018,662 1.128,663 4.199,664 17.629,665 0.699,666 3.401,667 3.761,668 4.078,669 4.357,670 4.615,671 4.718,672 4.883,673 5.043,674 5.118,675 5.136,676 5.675,677 0.668,678 393.3,679 3.401,680 4.963,681 5.838,682 6.735,683 7.629,684 8.533,685 9.435,686 10.344,687 11.251,688 12.163,689 9.1,693 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,722 1,728 1,730 2,731 44,733 16,734 1,735 29,737 47,738 18,739 12,740 3,741 3,746 4,747 5,748 2,755 2,756 1,758 3,761 12,762 6,763 1,778 1,781 18,782 5,783 3,784 8,785 2,790 4,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,845 2,848 26,849 1,853 1,854 5,856 1,858 1,869 2,870 4.5,872 1,874 1,877 13.333,878 7.752,879 5.611,880 2.634,881 3.141,882 1.414,883 0.984,884 4.969,885 10.728,886 3.638,887 4.301,888 4.935,889 5.558,890 6.116,891 6.478,892 6.905,893 7.356,894 7.596,895 7.859,896 1,897 44,898 9.612,900 4.215,901 7.803,902 18.265,904 15.46,905 2.303,906 59.889,909 1,910 176.567,911 74.866,912 67.51,913 78.297,914 53.683,917 74.866,918 308.547,919 67.51,921 16.788,922 70.802,923 88.847,924 17.293,925 2.328,926 176.567,927 78.297,928 176.567,929 142.375,930 53.683,931 78.297,933 129.482,934 89.768,935 11,937 22.424,938 86.502,939 111.746,941 176.567,942 121.193,943 153.163,946 176.567,947 36.961,948 39.069,950 198.326,951 176.567,952 121.193,953 153.163,955 0.592,956 0.357,957 0.191,958 0.106,959 22,960 10,961 0.064,962 3,963 1,964 1.095,965 3.702,966 230.859,967 0.095,968 21,969 116.211,974 17.86,975 7.234,976 3.399,977 0.542,978 120.029,979 7.12,980 8.986,984 3.684,986 75.581,987 450.922,988 37,999 44.778,1000 49.622,1001 0.325,1002 0.725,1003 0.858,1004 0.9,1005 0.9,1006 0.9,1007 4.898,1008 1.414,1009 5.844,1010 4.56,1011 4.443,1012 4.987,1013 1.225,1014 6.698,1015 4.307,1016 6.127,1017 1.243,1018 7.434,1019 3.387,1020 4.111,1021 4.956,1023 7.667,1024 3.873,1025 7.46,1026 1.049,1027 9.126,1028 3.173,1029 6.08,1030 7.278,1031 0.925,1032 10.804,1033 5.843,1034 8.833,1035 1,1036 10.875,1037 2.632,1038 6.567,1039 8.087,1041 12.595,1042 6.234,1043 10.239,1044 0.408,1045 12.66,1046 2.136,1047 8.025,1048 9.914,1049 0.697,1050 15.25,1051 7.686,1052 11.67,1053 0.043,1054 14.47,1055 1.018,1056 8.879,1057 11.107,1059 17.385,1060 8.459,1061 13.12,1062 -0.314,1063 16.298,1064 0.102,1065 10.142,1066 12.745,1067 0.525,1068 19.875,1069 9.699,1070 3.276,1071 -0.527,1072 18.138,1073 -0.779,1074 11.164,1075 14.118,1077 22.163,1078 10.652,1079 2.947,1080 11.399,1081 19.989,1082 -1.314,1083 12.353,1084 15.684,1085 0.395,1086 24.596,1087 11.806,1088 2.775,1089 9.467,1090 21.849,1091 4.674,1092 13.45,1093 17.14,1095 26.954,1096 12.843,1097 2.391,1098 9.011,1099 23.715,1100 3.981,1101 14.615,1102 18.68,1103 0.298,1104 29.373,1105 13.967,1106 1.941,1107 7.712,1108 25.587,1109 3.446,1110 15.747,1111 20.176,1113 31.764,1114 15.044,1115 1.848,1116 5.607,1117 27.464,1118 3.046,1119 16.907,1120 21.708,1121 0.224,1122 34.182,1123 16.159,1124 1.691,1125 5.368,1126 29.346,1127 2.522,1128 18.057,1129 23.224,1131 36.591,1132 17.257,1133 7157,1134 12961,1135 19.304,1136 30.739,1137 44.099,1138 45.734,1139 45.843,1140 44.259,1141 44.052,1142 56.773,1143 3.08,1144 131.146,1145 40.667,1146 5.705,1147 5.479,1148 6.653,1149 5.301,1150 5.276,1151 7.674,1152 1.72,1153 18.702,1154 5.114,1155 12.659,1156 1.521,1157 1.577,1158 1.581,1159 1.526,1160 1.519,1161 1.958,1162 0.106,1163 4.522,1164 1.402,1165 4.135,1166 4.183,1167 4.159,1168 3.984,1169 6.473,1170 4.005,1171 3.896,1172 3.915,1173 4.058,1174 3.833,1175 5.214,1176 3.832,1177 3.787,1178 3.833,1179 3.682,1180 3.633,1181 5.029,1182 3.637,1183 3.408,1184 3.452,1185 3.432,1186 3.262,1187 4.787,1188 3.269,1189 3.111,1190 3.206,1191 3.335,1192 2.941,1193 4.595,1194 2.917,1195 3.096,1196 3.167,1197 3.236,1198 2.916,1199 4.487,1200 2.91,1201 2.965,1202 3.035,1203 2.943,1204 2.837,1205 4.276,1206 2.806,1207 2.899,1208 2.917,1209 2.866,1210 2.689,1211 4.185,1212 2.72,1213 0.162,1214 0.12,1215 0.236,1216 0.146,1217 0.113,1218 4.705,1219 0.161,1220 3.479,1221 0.03,1222 6.851,1223 0.393,1224 4.226,1225 0.107,1226 3.276,1227 4.674,1228 0.86,1229 11.399,1230 3.114,1231 1.941,1232 1.916,1233 2.049,1234 2.093,1235 1.385,1236 2.073,1237 1.878,1238 1.848,1239 1.982,1240 1.965,1241 1.204,1242 1.982,1243 1.658,1244 1.613,1245 1.783,1246 1.883,1247 0.916,1248 1.861,1249 1.487,1250 1.441,1251 1.614,1252 1.685,1253 0.825,1254 1.669,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.731,1260 1.429,1261 1.057,1262 0.985,1263 1.301,1264 1.319,1265 0.416,1266 1.328,1267 0.914,1268 0.859,1269 1.195,1270 1.211,1271 0.215,1272 1.206,1273 0.847,1274 0.827,1275 0.977,1276 1.021,1277 0.081,1278 0.996,1279 4.078,1281 5.425,1282 2.398,1283 6.973,1284 4.844,1285 8.609,1286 7.034,1287 10.292,1290 12.427,1293 6.108,1294 10.412,1295 3.58,1297 5.415,1299 0.249,1305 29.385,1306 78.098,1307 174.161,1308 206.215,1309 216.215,1310 216.215,1311 216.215,1312 47.057,1313 7.587,1314 85.67,1315 85.67,1316 23,1317 12.678,1318 4.087,1319 3.17,1320 37.826,1321 87,1322 88,1323 0.213,1324 185.203,1325 311.34,1326 443.654,1327 19481,1328 4.5,1329 18.259,1330 0.702,1331 0.595,1332 19.259,1333 15.465,1334 12.542,1335 0.432,1336 0.316,1337 8.364,1338 11.533,1339 8.163,1340 6.654,1341 13.119,1342 9.175,1343 11.574,1344 0.276,1345 0.171,1346 12.279,1347 7.2,1348 10.222,1349 0.176,1350 0.097,1351 11.233,1352 5.613,1353 8.392,1354 0.109,1355 0.048,1356 8.865,1357 3.715,1358 6.969,1359 0.07,1360 0.025,1361 7.312,1362 2.534,1363 0.325,1364 84.821,1365 0.228,1366 24.629,1367 0.614,1368 142,1369 424.54,1370 186.125,1371 468.732,1372 623.3,1373 436,1374 171,1375 418.925,1376 214.213,1377 440.394,1378 652.98,1379 415,1380 5.8}
{0 CHEMBL2322346,1 1.775,2 10.241,3 4.383,4 19.21,5 103.74,6 8.129,7 0.5,8 4.044,9 4.156,10 3.677,11 3.501,12 5.178,13 3.525,14 4.637,15 4.809,16 4.123,17 3.886,18 6.159,19 3.907,20 4.765,21 4.945,22 4.132,23 4.049,24 5.903,25 4.035,26 4.911,27 5.119,28 4.148,29 4.101,30 6.112,31 4.07,32 4.978,33 5.223,34 4.064,35 4.041,36 6.137,37 4.002,38 4.841,39 5.055,40 3.975,41 3.944,42 5.965,43 3.93,44 4.772,45 4.979,46 3.957,47 3.912,48 5.893,49 3.883,50 4.831,51 5.088,52 3.926,53 3.82,54 6.111,55 3.762,56 0.184,57 0.949,58 8.924,59 4.649,60 20.863,61 5.415,62 1.123,63 1.806,64 21.65,65 7.382,66 147.296,67 8.964,68 0.647,69 1.705,70 22.922,71 8.853,72 41.445,73 11.215,74 0.789,75 1.979,76 28.221,77 10.378,78 64.361,79 13.047,80 1.109,81 1.917,82 34.904,83 10.961,84 126.496,85 13.849,86 1.012,87 1.602,88 28.601,89 8.259,90 92.854,91 10.203,92 0.779,93 1.536,94 24.681,95 7.86,96 50.15,97 10.467,98 1.185,99 1.549,100 30.878,101 8.88,102 106.65,103 12.727,104 30,105 47,106 0.299,107 0.613,108 0.796,109 0.823,110 0.829,111 0.829,112 3.409,113 0.87,114 -5.49,115 -5.37,116 -5.01,119 40,120 1,121 1,124 1,125 4,132 1,142 4,143 4,145 1,147 1,153 1,161 1,166 1,172 9,174 3,175 7,183 11,186 3,187 4,195 10,198 3,199 5,207 6,211 2,212 9,220 2,224 11,232 1,236 2,237 8,245 2,249 1,250 7,258 3,263 3,271 1,275 1297,276 19.342,277 19.342,278 19.342,279 19.342,280 19.342,281 17.478,282 25.789,283 11.136,284 20.178,285 15.737,286 15.737,287 15.737,288 15.737,289 15.737,290 12.79,291 34.942,292 5.186,293 17.075,294 3.869,295 2.007,296 0.925,297 0.765,298 0.725,299 0.725,300 4.101,304 1,305 1,306 637,307 3.536,310 61.85,311 252.907,314 113.223,318 1.56,319 45.589,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 66.5,331 297,332 4.655,333 4.472,334 7.265,335 4.29,336 3.394,337 4.61,338 3.825,339 12.291,340 3.123,341 4.569,342 3.362,343 6.749,344 4.147,345 3.211,346 4.117,347 0.86,348 11.068,349 2.993,350 3.99,351 3.112,352 6.121,353 3.707,354 2.772,355 3.35,356 0.86,357 8.971,358 2.572,359 3.887,360 2.969,361 6.057,362 3.582,363 2.656,364 3.154,365 0.8,366 8.62,367 2.416,368 3.653,369 2.651,370 5.688,371 3.252,372 2.319,373 3.007,374 0.68,375 7.477,376 2.143,377 3.021,378 2.293,379 4.825,380 2.731,381 1.823,382 2.117,384 5.028,385 1.651,386 2.955,387 2.036,388 4.551,389 2.581,390 1.645,391 2.085,393 4.672,394 1.505,395 2.858,396 1.604,397 4.474,398 2.414,399 1.414,400 1.998,402 3.984,403 1.414,404 2.723,405 1.553,406 3.876,407 2.265,408 1.323,409 1.808,411 3.171,412 1.235,413 2.525,414 1.511,415 3.831,416 2.155,417 1.258,418 1.532,420 2.989,421 1.12,422 2.171,423 1.256,424 3.465,425 1.952,426 1,427 1.131,428 2.333,429 0.946,430 2,431 1.164,432 3.247,433 1.853,434 0.953,435 1,436 2.136,437 0.852,438 1.622,439 0.841,440 3.17,441 1.323,442 0.425,443 0.491,445 0.813,446 0.375,447 1.419,448 0.592,449 2.88,450 1.135,451 0.182,452 0.216,454 0.392,455 0.174,456 1.002,457 0.51,458 2.763,459 0.676,460 -0.286,461 -0.347,463 -0.711,464 -0.273,465 13.124,466 0.453,467 0.878,468 0.03,469 34.75,470 1.198,471 15,472 0.517,473 19.75,474 0.681,475 26.414,476 0.911,477 33.076,478 0.662,479 28.972,480 0.999,481 7.178,482 0.248,483 6.702,484 0.231,485 0.142,486 0.038,487 0.328,490 3,493 0.633,494 1.137,495 0.649,496 1.241,497 0.574,498 1.03,499 0.704,500 0.733,501 0.732,502 0.797,503 0.395,504 0.783,505 0.702,506 0.951,507 0.843,508 1.037,509 0.504,510 1.008,511 0.809,512 1.085,513 0.978,514 1.158,515 0.803,516 1.133,517 1.065,518 1.054,519 1.009,520 0.965,521 1.169,522 0.958,523 1.256,524 0.954,525 1.224,526 0.904,527 1.05,528 0.992,529 0.806,530 0.949,531 1.058,532 1.092,533 0.57,534 1.135,535 0.637,536 0.635,537 0.827,538 0.925,539 0.712,540 0.956,541 6.5,542 0.231,543 4,544 2.444,545 1.787,546 1.233,547 0.652,548 0.522,549 0.42,550 0.269,551 10019,552 33732,553 2.061,554 42,555 5,556 15,558 1,564 1.723,565 1.902,566 3.336,567 -0.683,569 1,573 88.761,574 1.775,575 3.637,576 4.719,577 4.879,578 4.919,579 4.919,580 2.738,581 4.418,582 4.832,583 3.506,584 1423.27,585 8.436,586 18802.8,588 1,590 1,591 282.193,592 1.636,593 4.769,594 0.203,595 0.01,596 0.085,597 0.05,598 0.038,599 0.029,600 0.016,601 0.014,602 0.012,603 0.01,604 0.468,605 0.33,606 0.88,607 0.871,608 145.487,609 -0.018,610 -0.153,611 0.06,612 -0.143,613 -0.071,614 -0.047,615 0.241,616 0.257,617 0.159,618 0.193,619 0.419,620 0.152,621 -0.031,622 -0.091,623 -0.018,624 -0.034,625 0.022,626 -0.029,627 -0.043,628 -0.128,629 -0.091,630 -0.162,631 -0.023,632 -0.148,633 -0.111,634 -0.054,635 -0.011,636 0.015,637 -0.128,638 0.04,639 -0.286,640 -0.005,641 -0.274,642 0.026,643 -0.187,644 -0.069,645 -0.074,646 -0.141,647 -0.176,648 -0.166,649 -0.015,650 -0.192,651 0.262,652 0.235,653 0.188,654 0.011,655 0.164,656 0.041,657 5.633,658 5.257,659 0.724,660 25.439,661 1.029,662 1.152,663 4.264,664 18.178,665 0.647,666 3.497,667 3.871,668 4.159,669 4.443,670 4.663,671 4.771,672 4.977,673 5.106,674 5.198,675 5.313,676 6.271,677 0.639,678 406.45,679 3.497,680 5.069,681 5.938,682 6.845,683 7.732,684 8.643,685 9.538,686 10.45,687 11.35,688 12.262,689 8,695 1,697 1,699 2,703 1,704 5,705 2,709 6,711 16,726 1,729 1,731 50,733 16,734 1,735 32,737 53,738 20,739 12,740 3,741 3,746 4,747 5,752 2,757 1,758 1,761 12,762 8,778 1,779 3,781 21,782 8,784 9,790 4,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 29,854 5,856 2,859 1,860 1,869 3,870 4,874 1,875 1,877 15.25,878 9.729,879 6.25,880 2.928,881 3.202,882 1.409,883 0.989,884 5.411,885 11.031,886 3.714,887 4.353,888 4.978,889 5.595,890 6.126,891 6.494,892 6.952,893 7.351,894 7.622,895 7.991,896 0.857,897 49,898 11.172,900 5.203,901 8.101,902 20.047,904 16.5,905 2.601,906 75.417,908 1,909 1,910 247.193,911 111.951,912 37.737,914 22,915 44.88,917 111.951,918 269.193,919 82.617,920 19.708,921 15.931,922 37.905,923 57.935,924 86.773,925 2.328,926 235.422,927 7.76,928 247.193,929 149.688,930 66.88,933 247.193,934 55.88,935 11,937 49.257,938 66.983,939 33.449,941 292.073,942 59.737,943 111.951,946 254.953,947 37.531,948 70.949,950 100.329,951 247.193,952 104.617,953 111.951,955 0.593,956 0.35,957 0.191,958 0.101,959 24,960 11,961 0.075,962 4,963 1,964 1.095,965 3.898,966 266.724,967 0.095,968 21,969 132.127,974 19.994,975 7.848,976 3.918,977 0.572,978 103.453,979 7.687,980 9.07,984 2.179,987 463.761,988 40,999 51.436,1000 57.583,1001 0.315,1002 0.644,1003 0.836,1004 0.864,1005 0.871,1006 0.871,1007 4.99,1008 1.414,1009 5.974,1010 4.672,1011 4.554,1012 5.04,1013 3.246,1014 6.864,1015 4.408,1016 6.227,1017 1.323,1018 7.59,1019 3.984,1020 4.369,1021 5.027,1022 3.911,1023 8.065,1024 4.08,1025 7.571,1026 1.258,1027 9.318,1028 3.171,1029 6.267,1030 7.314,1031 5.434,1032 11.129,1033 5.975,1034 8.955,1035 1,1036 11.111,1037 2.989,1038 6.889,1039 8.127,1040 6.69,1041 13.112,1042 6.459,1043 10.372,1044 0.953,1045 12.946,1046 2.333,1047 8.314,1048 9.934,1049 8.058,1050 15.763,1051 7.86,1052 11.814,1053 0.425,1054 14.809,1055 2.136,1056 9.267,1057 11.117,1058 9.389,1059 18.04,1060 8.696,1061 13.273,1062 0.182,1063 16.691,1064 0.813,1065 10.531,1066 12.741,1067 10.734,1068 20.569,1069 9.912,1070 3.394,1071 -0.286,1072 18.588,1073 0.392,1074 11.623,1075 14.097,1076 12.074,1077 22.965,1078 10.904,1079 3.211,1080 12.291,1081 20.497,1082 -0.711,1083 12.833,1084 15.648,1085 13.416,1086 25.459,1087 12.051,1088 2.772,1089 11.068,1090 22.415,1091 4.61,1092 13.984,1093 17.086,1094 14.758,1095 27.906,1096 13.112,1097 2.656,1098 8.971,1099 24.341,1100 4.117,1101 15.18,1102 18.61,1103 16.1,1104 30.392,1105 14.236,1106 2.319,1107 8.62,1108 26.273,1109 3.35,1110 16.357,1111 20.087,1112 17.441,1113 32.862,1114 15.328,1115 1.823,1116 7.477,1117 28.211,1118 3.154,1119 17.552,1120 21.603,1121 18.783,1122 35.35,1123 16.447,1124 1.645,1125 5.028,1126 30.153,1127 3.007,1128 18.742,1129 23.099,1130 20.124,1131 37.832,1132 17.554,1133 9659,1134 17901,1135 20.978,1136 32.358,1137 49.096,1138 48.98,1139 50.263,1140 48.959,1141 48.751,1142 61.23,1143 14.051,1144 147.89,1145 45.039,1146 5.655,1147 6.472,1148 7.067,1149 5.393,1150 5.394,1151 7.61,1152 5.335,1153 20.013,1154 5.123,1155 15.594,1156 1.534,1157 1.531,1158 1.571,1159 1.53,1160 1.523,1161 1.913,1162 0.439,1163 4.622,1164 1.407,1165 4.131,1166 4.18,1167 4.108,1168 3.982,1169 8.513,1170 4,1171 3.943,1172 3.972,1173 3.907,1174 3.833,1175 7.999,1176 3.851,1177 3.754,1178 3.812,1179 3.648,1180 3.539,1181 7.999,1182 3.556,1183 3.442,1184 3.479,1185 3.395,1186 3.277,1187 5.141,1188 3.287,1189 3.303,1190 3.351,1191 3.267,1192 3.045,1193 4.681,1194 3.072,1195 3.19,1196 3.263,1197 3.042,1198 2.998,1199 4.632,1200 2.994,1201 3.167,1202 3.251,1203 2.973,1204 2.941,1205 4.551,1206 2.917,1207 3.111,1208 3.206,1209 2.866,1210 2.905,1211 4.348,1212 2.91,1213 0.145,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.655,1219 0.144,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.29,1225 0.098,1226 3.394,1227 4.61,1228 3.825,1229 12.291,1230 3.123,1231 1.967,1232 1.944,1233 2.065,1234 2.092,1235 1.27,1236 2.068,1237 1.849,1238 1.806,1239 1.958,1240 2.026,1241 1.209,1242 2.018,1243 1.629,1244 1.577,1245 1.799,1246 1.883,1247 0.964,1248 1.861,1249 1.485,1250 1.443,1251 1.646,1252 1.659,1253 0.825,1254 1.652,1255 1.21,1256 1.133,1257 1.552,1258 1.485,1259 0.772,1260 1.499,1261 1.157,1262 1.076,1263 1.526,1264 1.421,1265 0.603,1266 1.469,1267 1.153,1268 1.064,1269 1.513,1270 1.416,1271 0.556,1272 1.429,1273 1.083,1274 1.032,1275 1.217,1276 1.376,1277 0.284,1278 1.33,1279 4.174,1281 5.533,1282 2.398,1283 7.089,1284 4.727,1285 8.733,1286 6.843,1287 10.423,1289 3.049,1291 39.771,1295 2.947,1297 10.858,1300 2.096,1301 -4.383,1305 31.933,1306 88.761,1307 181.828,1308 235.928,1309 243.928,1310 245.928,1311 245.928,1312 59.021,1313 7.829,1314 51.89,1315 51.89,1316 23,1317 12.778,1318 4.087,1319 3.17,1320 44.529,1321 109,1322 104,1323 0.201,1324 191.316,1325 333.73,1326 458.571,1327 26677,1328 6,1329 20.596,1330 0.71,1331 0.557,1332 18.096,1333 16.162,1334 13.88,1335 0.434,1336 0.29,1337 9.045,1338 12.977,1339 8.856,1340 7.254,1341 12.669,1342 9.283,1343 13.221,1344 0.281,1345 0.147,1346 11.226,1347 6.926,1348 10.839,1349 0.172,1350 0.082,1351 10.134,1352 5.175,1353 9.296,1354 0.111,1355 0.043,1356 8.313,1357 3.58,1358 7.34,1359 0.07,1360 0.022,1361 6.772,1362 2.355,1363 0.311,1364 89.622,1365 0.218,1366 27.097,1367 0.569,1368 158,1369 666.385,1370 189.932,1371 549.755,1372 727.41,1373 514,1374 189,1375 517.334,1376 216.253,1377 500.478,1378 758.4,1379 468,1380 5.3}
{0 CHEMBL2322347,1 1.86,2 10.214,3 4.734,4 22.409,5 102.829,6 8.932,7 0.516,8 3.968,9 4.077,10 3.678,11 3.476,12 5.108,13 3.492,14 4.561,15 4.725,16 4.157,17 3.872,18 6.128,19 3.885,20 4.719,21 4.9,22 4.177,23 4.042,24 5.879,25 4.01,26 4.831,27 5.038,28 4.197,29 4.062,30 6.063,31 4.015,32 4.86,33 5.102,34 4.061,35 3.968,36 6.056,37 3.913,38 4.7,39 4.909,40 4.002,41 3.885,42 5.884,43 3.841,44 4.584,45 4.782,46 3.989,47 3.784,48 5.803,49 3.757,50 4.538,51 4.76,52 3.935,53 3.644,54 5.992,55 3.607,56 0.194,57 0.901,58 6.652,59 4.228,60 22.821,61 4.694,62 1.043,63 1.748,64 18.1,65 7.02,66 141.842,67 7.992,68 0.676,69 1.604,70 22.294,71 8.778,72 45.82,73 10.56,74 0.793,75 1.824,76 26.073,77 10.089,78 68.352,79 12.042,80 1.108,81 1.727,82 33.047,83 10.835,84 130.576,85 12.689,86 0.957,87 1.391,88 31.389,89 8.529,90 100.548,91 9.508,92 0.719,93 1.3,94 24.364,95 6.774,96 48.852,97 8.036,98 1.016,99 1.313,100 22.522,101 6.777,102 88.608,103 8.532,104 27,105 46,106 0.319,107 0.632,108 0.792,109 0.822,110 0.83,111 0.83,112 3.375,113 0.894,114 -5.86,115 -5.72,116 -5.33,119 41.3,120 1,121 1,125 4,132 1,142 4,143 4,145 1,147 1,153 1,161 1,166 1,172 9,174 2,175 7,183 12,186 2,187 5,195 10,198 1,199 6,207 7,211 2,212 8,220 3,224 10,232 2,236 1,237 7,245 4,249 1,250 4,258 6,263 2,271 2,275 1178,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 16.556,282 23.077,283 10.612,284 19.258,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 12.361,291 30.493,292 5.028,293 16.697,294 3.664,295 1.836,296 0.902,297 0.728,298 0.685,299 0.685,300 4.066,302 1,304 1,305 1,306 616,307 3.391,310 59.478,311 243.435,314 108.482,318 1.587,319 45.528,322 0.75,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.84,330 63.833,331 286,332 4.648,333 4.472,334 7.265,335 4.289,336 3.394,337 4.604,338 3.825,339 12.291,340 3.119,341 4.568,342 3.388,343 6.725,344 4.128,345 3.2,346 4.117,347 0.86,348 10.95,349 2.961,350 3.986,351 3.116,352 6.12,353 3.704,354 2.772,355 3.342,356 0.8,357 8.967,358 2.565,359 3.886,360 2.985,361 6.053,362 3.576,363 2.651,364 3.151,365 0.68,366 8.592,367 2.404,368 3.612,369 2.68,370 5.594,371 3.163,372 2.259,373 2.976,375 7.127,376 1.995,377 3.021,378 2.293,379 4.801,380 2.727,381 1.82,382 2.114,384 4.946,385 1.648,386 2.945,387 2.026,388 4.537,389 2.549,390 1.622,391 2.08,393 4.671,394 1.457,395 2.857,396 1.578,397 4.407,398 2.414,399 1.414,400 1.994,402 3.84,403 1.414,404 2.713,405 1.529,406 3.874,407 2.228,408 1.304,409 1.796,411 3.171,412 1.189,413 2.48,414 1.507,415 3.754,416 2.12,417 1.223,418 1.475,420 2.933,421 1.068,422 2.155,423 1.256,424 3.447,425 1.952,426 1,427 1.101,428 2.226,429 0.946,430 2,431 1.08,432 3.247,433 1.786,434 0.892,435 1,436 2.136,437 0.772,438 1.474,439 0.675,440 3.156,441 1.216,442 0.241,443 0.284,445 0.625,446 0.23,447 1.117,448 0.51,449 2.778,450 0.711,451 -0.204,452 -0.253,454 -0.516,455 -0.16,456 0.937,457 0.51,458 2.693,459 0.495,460 -0.413,461 -0.533,463 -1.094,464 -0.353,465 13.005,466 0.464,467 0.916,468 0.033,469 33.5,470 1.196,471 14.5,472 0.518,473 19,474 0.679,475 25.909,476 0.925,477 31.395,478 0.683,479 26.783,480 0.957,481 6.773,482 0.242,483 6.57,484 0.235,485 0.159,486 0.038,487 0.331,490 3,493 0.591,494 1.083,495 0.546,496 1.07,497 0.563,498 0.942,499 0.601,500 0.75,501 0.616,502 0.807,503 0.366,504 0.805,505 0.678,506 0.897,507 0.833,508 0.977,509 0.499,510 0.99,511 0.797,512 1.064,513 0.856,514 1.097,515 0.802,516 1.106,517 1.102,518 1.043,519 0.94,520 0.898,521 1.214,522 0.933,523 1.254,524 0.967,525 1.542,526 1.007,527 1.134,528 1.022,529 0.889,530 0.951,531 1.314,532 1.097,533 0.666,534 1.083,535 0.782,536 0.676,537 0.958,538 0.882,539 0.921,540 0.972,541 6.5,542 0.169,543 4,544 2.444,545 1.747,546 1.09,547 0.652,548 0.506,549 0.375,550 0.259,551 9296,552 33621,553 2.064,554 39.1,555 5,556 12,558 1,564 1.713,565 1.898,566 3.335,567 -0.671,573 85.56,574 1.86,575 3.687,576 4.621,577 4.795,578 4.839,579 4.839,580 2.751,581 4.423,582 4.782,583 3.499,584 1322.46,585 8.327,586 17027.8,588 1,591 254.084,592 1.656,593 4.716,594 0.21,595 0.008,596 0.087,597 0.052,598 0.04,599 0.028,600 0.018,601 0.014,602 0.012,603 0.011,604 0.48,605 0.5,606 0.88,607 0.787,608 139.052,609 -0.015,610 -0.127,611 0.031,612 -0.098,613 -0.068,614 -0.033,615 0.278,616 0.241,617 0.126,618 0.127,619 0.424,620 0.096,621 -0.03,622 -0.082,623 -0.009,624 -0.024,625 0.025,626 -0.026,627 -0.036,628 -0.139,629 0.004,630 -0.131,631 -0.017,632 -0.119,633 -0.115,634 -0.043,635 0.024,636 0.087,637 -0.141,638 0.087,639 -0.286,640 -0.027,641 -0.306,642 -0.005,643 -0.208,644 -0.056,645 -0.125,646 -0.141,647 -0.206,648 -0.169,649 -0.043,650 -0.16,651 0.264,652 0.336,653 0.064,654 0.065,655 0.132,656 -0.026,657 5.633,658 5.21,659 0.75,660 23.719,661 1.034,662 1.15,663 4.63,664 21.433,665 0.674,666 3.466,667 3.85,668 4.127,669 4.407,670 4.615,671 4.71,672 4.905,673 5.037,674 5.124,675 5.231,676 6.203,677 0.663,678 410.86,679 3.466,680 5.043,681 5.911,682 6.819,683 7.704,684 8.614,685 9.507,686 10.417,687 11.315,688 12.225,689 8.7,695 1,697 1,699 2,703 1,704 5,705 2,709 6,711 16,726 1,730 1,731 46,733 16,734 1,735 31,737 49,738 19,739 12,740 3,741 3,746 4,747 5,748 1,752 2,757 1,758 1,761 12,762 7,779 3,781 18,782 7,784 9,785 1,790 4,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 1,845 1,846 3,848 28,854 5,856 1,859 1,860 1,869 4,870 2.2,874 1,877 14.75,878 8.705,879 5.917,880 2.755,881 3.2,882 1.412,883 1.004,884 5.15,885 10.967,886 3.689,887 4.341,888 4.957,889 5.57,890 6.091,891 6.45,892 6.897,893 7.304,894 7.567,895 7.924,896 0.857,897 47,898 10.8,900 5.1,901 8.144,902 19.299,904 16.09,905 2.644,906 74.028,909 1,910 211.88,911 99.325,912 37.737,913 39.149,914 11,915 44.88,917 99.325,918 262.028,919 82.617,920 8.825,921 15.931,922 37.905,923 57.935,924 74.03,925 41.477,926 200.109,927 7.76,928 211.88,929 137.062,930 55.88,931 39.149,933 211.88,934 44.88,935 11,937 47.514,938 56.1,939 33.449,940 39.149,941 256.76,942 48.737,943 138.474,946 219.639,947 35.788,948 60.066,950 128.477,951 211.88,952 93.617,953 138.474,955 0.6,956 0.349,957 0.187,958 0.098,959 24,960 11,961 0.061,962 3,963 1,964 1.095,965 3.838,966 253.819,967 0.095,968 21,969 125.851,974 19.347,975 7.453,976 3.815,977 0.547,978 92.453,979 7.571,980 8.939,984 2.006,987 443.971,988 39,999 47.549,1000 52.903,1001 0.337,1002 0.668,1003 0.837,1004 0.868,1005 0.876,1006 0.876,1007 4.97,1008 1.414,1009 5.953,1010 4.671,1011 4.533,1012 5.027,1013 3.187,1014 6.843,1015 4.373,1016 6.213,1017 1.304,1018 7.571,1019 3.84,1020 4.369,1021 5.027,1022 3.911,1023 8.042,1024 4.043,1025 7.559,1026 1.223,1027 9.3,1028 3.171,1029 6.248,1030 7.305,1031 5.429,1032 11.104,1033 5.936,1034 8.943,1035 1,1036 11.093,1037 2.933,1038 6.878,1039 8.12,1040 6.69,1041 13.086,1042 6.413,1043 10.361,1044 0.892,1045 12.928,1046 2.226,1047 8.297,1048 9.926,1049 8.058,1050 15.737,1051 7.817,1052 11.802,1053 0.241,1054 14.791,1055 2.136,1056 9.254,1057 11.109,1058 9.389,1059 18.013,1060 8.647,1061 13.261,1062 -0.204,1063 16.673,1064 0.625,1065 10.515,1066 12.732,1067 10.734,1068 20.542,1069 9.865,1070 3.394,1071 -0.413,1072 18.57,1073 -0.516,1074 11.608,1075 14.087,1076 12.074,1077 22.937,1078 10.852,1079 3.2,1080 12.291,1081 20.479,1082 -1.094,1083 12.818,1084 15.638,1085 13.416,1086 25.431,1087 11.999,1088 2.772,1089 10.95,1090 22.397,1091 4.604,1092 13.968,1093 17.075,1094 14.758,1095 27.878,1096 13.056,1097 2.651,1098 8.967,1099 24.323,1100 4.117,1101 15.164,1102 18.598,1103 16.1,1104 30.364,1105 14.179,1106 2.259,1107 8.592,1108 26.256,1109 3.342,1110 16.341,1111 20.074,1112 17.441,1113 32.835,1114 15.267,1115 1.82,1116 7.127,1117 28.194,1118 3.151,1119 17.536,1120 21.588,1121 18.783,1122 35.323,1123 16.384,1124 1.622,1125 4.946,1126 30.137,1127 2.976,1128 18.725,1129 23.083,1130 20.124,1131 37.806,1132 17.488,1133 8921,1134 17127,1135 20.285,1136 31,1137 47.98,1138 47.858,1139 48.799,1140 47.968,1141 47.581,1142 60.071,1143 12.331,1144 144.95,1145 43.536,1146 5.648,1147 6.472,1148 7.067,1149 5.393,1150 5.394,1151 7.604,1152 5.335,1153 20.012,1154 5.119,1155 15.109,1156 1.548,1157 1.544,1158 1.574,1159 1.547,1160 1.535,1161 1.938,1162 0.398,1163 4.676,1164 1.404,1165 4.128,1166 4.178,1167 4.174,1168 3.986,1169 8.513,1170 4.003,1171 3.942,1172 3.971,1173 3.921,1174 3.84,1175 7.999,1176 3.854,1177 3.754,1178 3.812,1179 3.649,1180 3.538,1181 7.999,1182 3.556,1183 3.415,1184 3.453,1185 3.551,1186 3.283,1187 5.173,1188 3.281,1189 3.282,1190 3.327,1191 3.336,1192 3.045,1193 4.687,1194 3.07,1195 3.168,1196 3.255,1197 3.113,1198 2.995,1199 4.632,1200 2.992,1201 3.111,1202 3.206,1203 2.974,1204 2.941,1205 4.57,1206 2.91,1207 2.996,1208 3.073,1209 2.866,1210 2.71,1211 4.342,1212 2.743,1213 0.15,1214 0.144,1215 0.234,1216 0.138,1217 0.109,1218 4.648,1219 0.149,1220 4.472,1221 0.123,1222 7.265,1223 0.396,1224 4.289,1225 0.101,1226 3.394,1227 4.604,1228 3.825,1229 12.291,1230 3.119,1231 1.967,1232 1.944,1233 2.065,1234 2.08,1235 1.27,1236 2.065,1237 1.848,1238 1.805,1239 1.952,1240 2.023,1241 1.209,1242 2.013,1243 1.627,1244 1.575,1245 1.778,1246 1.869,1247 0.961,1248 1.849,1249 1.479,1250 1.435,1251 1.616,1252 1.649,1253 0.825,1254 1.641,1255 1.21,1256 1.133,1257 1.551,1258 1.422,1259 0.76,1260 1.469,1261 1.153,1262 1.064,1263 1.513,1264 1.417,1265 0.603,1266 1.429,1267 1.085,1268 1.041,1269 1.217,1270 1.376,1271 0.284,1272 1.33,1273 0.935,1274 0.863,1275 1.113,1276 1.245,1277 0.25,1278 1.216,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.727,1285 8.711,1286 6.843,1287 10.4,1289 1.49,1290 6.368,1291 39.631,1295 2.917,1297 5.367,1300 2.071,1301 -4.383,1305 30.519,1306 85.56,1307 169.614,1308 212.574,1309 220.574,1310 222.574,1311 222.574,1312 57.783,1313 7.767,1314 42.66,1315 42.66,1316 23,1317 12.743,1318 4.087,1319 3.17,1320 42.326,1321 104,1322 101,1323 0.2,1324 186.06,1325 322.85,1326 445.748,1327 25072,1328 8.7,1329 19.889,1330 0.71,1331 0.567,1332 17.889,1333 15.887,1334 13.342,1335 0.43,1336 0.298,1337 8.693,1338 12.31,1339 8.513,1340 6.928,1341 12.42,1342 9.237,1343 13.03,1344 0.283,1345 0.154,1346 11.406,1347 7.093,1348 10.509,1349 0.172,1350 0.086,1351 10.136,1352 5.224,1353 9.037,1354 0.112,1355 0.045,1356 8.411,1357 3.648,1358 7.015,1359 0.07,1360 0.024,1361 6.757,1362 2.416,1363 0.31,1364 88.454,1365 0.222,1366 26.366,1367 0.563,1368 154,1369 644.853,1370 199.113,1371 565.596,1372 738.45,1373 526,1374 184,1375 503.651,1376 220.076,1377 496.611,1378 754.61,1379 466,1380 5.3}
{0 CHEMBL2322348,1 1.647,2 10.179,3 4.808,4 23.116,5 102.139,6 7.789,7 0.516,8 4.023,9 4.139,10 3.623,11 3.548,12 5.11,13 3.542,14 4.627,15 4.798,16 4.085,17 3.957,18 6.123,19 3.941,20 4.814,21 5.014,22 4.078,23 4.118,24 5.88,25 4.066,26 4.944,27 5.166,28 4.058,29 4.14,30 6.075,31 4.072,32 4.975,33 5.233,34 3.979,35 4.066,36 6.098,37 3.994,38 4.818,39 5.051,40 3.904,41 3.987,42 5.895,43 3.925,44 4.754,45 4.983,46 3.878,47 3.936,48 5.795,49 3.874,50 4.777,51 5.023,52 3.905,53 3.853,54 6.097,55 3.774,56 0.103,57 0.944,58 9.478,59 5.021,60 19.66,61 5.969,62 0.875,63 1.857,64 21.587,65 8.423,66 143.584,67 10.438,68 0.427,69 1.768,70 25.572,71 10.178,72 46.243,73 13.278,74 0.56,75 2.033,76 30.692,77 11.312,78 64.804,79 14.572,80 0.865,81 1.968,82 35.541,83 11.675,84 118.286,85 14.886,86 0.647,87 1.667,88 28.43,89 9.545,90 81.759,91 12.351,92 0.499,93 1.57,94 25.316,95 8.377,96 44.556,97 11.535,98 0.925,99 1.714,100 28.005,101 9.303,102 85.573,103 12.908,104 27,105 46,106 0.278,107 0.581,108 0.775,109 0.823,110 0.829,111 0.829,112 3.375,113 0.912,114 -5.52,115 -5.39,116 -5.03,119 42,120 2,121 3,122 1,125 2,132 1,142 4,143 4,146 2,151 1,161 1,166 1,172 11,174 1,175 9,183 14,186 1,187 8,195 13,199 5,207 8,211 1,212 10,220 8,224 11,232 8,236 1,237 4,245 9,249 1,250 1,258 10,263 2,271 8,275 1216,276 18.471,277 18.471,278 18.471,279 18.471,280 18.471,281 16.548,282 21.042,283 10.614,284 19.032,285 15.3,286 15.3,287 15.3,288 15.3,289 15.3,290 12.36,291 22.947,292 5.032,293 16.258,294 3.997,295 2.197,296 1.045,297 0.765,298 0.725,299 0.725,300 4.067,304 1,305 1,306 614,307 3.391,310 59.631,311 244.194,314 108.894,318 1.62,319 42.103,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 63,331 285,332 4.655,333 4.472,334 7.265,335 4.293,336 3.395,337 4.596,338 3.825,339 12.292,340 3.146,341 4.563,342 3.371,343 6.748,344 4.161,345 3.209,346 4.115,347 0.86,348 11.042,349 3.028,350 4.006,351 3.081,352 6.134,353 3.778,354 2.798,355 3.382,356 0.68,357 9.018,358 2.74,359 3.894,360 2.944,361 6.041,362 3.581,363 2.644,364 3.144,366 8.535,367 2.413,368 3.462,369 2.377,370 5.449,371 3.077,372 2.122,373 2.778,375 6.621,376 2.018,377 3.13,378 2.209,379 4.823,380 2.741,381 1.809,382 2.36,384 5.148,385 1.68,386 2.925,387 2.021,388 4.712,389 2.605,390 1.667,391 2.058,393 4.714,394 1.554,395 2.904,396 1.695,397 4.431,398 2.474,399 1.527,400 1.995,402 4.314,403 1.418,404 2.851,405 1.512,406 3.892,407 2.414,408 1.414,409 1.971,411 3.173,412 1.414,413 2.318,414 1.355,415 3.637,416 2.059,417 1.144,418 1.287,420 2.689,421 1.034,422 2.161,423 1.2,424 3.508,425 1.969,426 1,427 1.082,428 2.249,429 0.963,430 2,431 1.057,432 3.247,433 1.794,434 0.837,435 1,436 2.136,437 0.797,438 1.49,439 0.553,440 3.125,441 1.208,442 0.224,443 0.274,445 0.576,446 0.22,447 1.11,448 0.51,449 2.79,450 0.833,451 -0.147,452 -0.174,454 -0.362,455 -0.143,456 0.863,457 0.51,458 2.565,459 0.487,460 -0.49,461 -0.609,463 -1.261,464 -0.476,465 12.89,466 0.46,467 0.916,468 0.033,469 32,470 1.143,471 14,472 0.5,473 18,474 0.643,475 27.551,476 0.984,477 31.51,478 0.63,479 25.217,480 0.901,481 6.226,482 0.222,483 7.116,484 0.254,485 0.144,486 0.039,487 0.341,490 3,493 0.556,494 1.008,495 0.68,496 1.134,497 0.562,498 1.002,499 0.547,500 0.78,501 0.708,502 0.929,503 0.345,504 0.894,505 0.637,506 0.899,507 0.852,508 1.033,509 0.479,510 1.021,511 0.84,512 1.061,513 1.04,514 1.142,515 0.771,516 1.146,517 1.075,518 0.983,519 1.014,520 0.884,521 1.148,522 0.909,523 1.006,524 0.975,525 1.076,526 0.98,527 0.952,528 1.021,529 0.715,530 0.896,531 1.002,532 1.02,533 0.556,534 1.064,535 0.535,536 0.753,537 0.844,538 1.064,539 0.676,540 1.076,541 6.5,542 0.169,543 4,544 2.701,545 1.431,546 1.195,547 0.692,548 0.6,549 0.381,550 0.199,551 9262,552 28565,553 2.064,554 44,555 5,556 8,557 1,560 4,561 4,564 1.713,565 1.898,566 3.327,567 -0.742,573 82.337,574 1.647,575 3.447,576 4.599,577 4.879,578 4.919,579 4.919,580 2.764,581 4.495,582 4.781,583 3.491,584 1319.56,585 8.329,586 16957.3,588 1,591 282.193,592 1.656,593 4.716,594 0.21,595 0.009,596 0.087,597 0.057,598 0.033,599 0.03,600 0.018,601 0.017,602 0.012,603 0.009,604 0.482,605 0.5,606 0.88,607 0.787,608 138.914,609 0.01,610 -0.045,611 0.052,612 -0.043,613 -0.066,615 0.33,616 0.209,617 0.171,618 0.095,619 0.448,620 0.078,621 -0.033,622 -0.086,623 -0.008,624 -0.04,625 0.023,626 -0.025,627 -0.086,628 -0.144,629 -0.137,630 -0.165,631 -0.02,632 -0.164,633 -0.105,634 0.006,635 -0.011,636 0.085,637 -0.116,638 0.078,639 -0.148,640 -0.032,641 -0.136,642 -0.017,643 -0.118,644 -0.052,645 -0.065,646 -0.094,647 -0.113,648 -0.104,649 -0.024,650 -0.112,651 0.359,652 0.172,653 0.132,654 -0.108,655 0.215,656 -0.097,657 5.606,658 5.26,659 0.75,660 23.388,661 1.018,662 1.146,663 4.286,664 18.37,665 0.653,666 3.466,667 3.85,668 4.127,669 4.407,670 4.625,671 4.7,672 4.913,673 5.069,674 5.124,675 5.231,676 6.169,677 0.634,678 389.46,679 3.466,680 5.043,681 5.911,682 6.819,683 7.705,684 8.615,685 9.509,686 10.42,687 11.319,688 12.23,689 6,697 1,699 2,703 1,704 5,705 2,709 6,711 16,731 50,733 16,734 1,735 31,737 53,738 21,739 12,740 3,741 3,746 4,747 5,752 3,755 2,756 1,757 1,758 3,761 12,762 9,763 1,779 3,781 22,782 6,784 7,790 3,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 28,854 5,856 1,858 1,860 1,869 3,870 2,874 1,877 14.75,878 9.695,879 5.917,880 3.143,881 3.192,882 1.411,883 0.994,884 4.99,885 10.955,886 3.689,887 4.341,888 4.951,889 5.567,890 6.106,891 6.44,892 6.915,893 7.338,894 7.559,895 7.906,896 0.857,897 47,898 10.823,900 5.091,901 8.045,902 19.672,904 16.634,905 2.545,906 71.25,908 1,909 1,910 258.964,911 109.122,912 34.612,914 11,915 44.88,917 109.122,918 269.964,919 79.493,920 17.65,921 16.788,922 46.952,923 46.164,924 64.3,925 11.771,926 247.193,927 7.76,928 258.964,929 143.734,930 55.88,933 211.88,934 91.965,935 11,937 50.591,938 59.695,939 33.449,941 303.845,942 45.612,943 109.122,946 266.724,947 36.759,948 65.767,950 89.329,951 258.964,952 90.493,953 109.122,955 0.6,956 0.348,957 0.187,958 0.099,959 24,960 11,961 0.057,962 3,963 1,964 1.095,965 3.837,966 254.025,967 0.095,968 21,969 125.851,974 19.111,975 7.31,976 3.728,977 0.721,978 89.329,979 8.212,980 9.343,984 2.97,987 458.579,988 39,999 50.89,1000 57.291,1001 0.292,1002 0.611,1003 0.815,1004 0.864,1005 0.871,1006 0.871,1007 4.97,1008 1.527,1009 5.953,1010 4.714,1011 4.533,1012 5.027,1013 3.146,1014 6.843,1015 4.425,1016 6.213,1017 1.414,1018 7.571,1019 4.314,1020 4.369,1021 5.027,1022 3.903,1023 8.042,1024 4.134,1025 7.559,1026 1.144,1027 9.3,1028 3.173,1029 6.248,1030 7.302,1031 5.427,1032 11.105,1033 6.027,1034 8.943,1035 1,1036 11.093,1037 2.689,1038 6.878,1039 8.11,1040 6.69,1041 13.092,1042 6.534,1043 10.361,1044 0.837,1045 12.928,1046 2.249,1047 8.3,1048 9.918,1049 8.058,1050 15.743,1051 7.944,1052 11.802,1053 0.224,1054 14.791,1055 2.136,1056 9.259,1057 11.096,1058 9.388,1059 18.027,1060 8.799,1061 13.261,1062 -0.147,1063 16.674,1064 0.576,1065 10.523,1066 12.721,1067 10.734,1068 20.555,1069 10.025,1070 3.395,1071 -0.49,1072 18.572,1073 -0.362,1074 11.619,1075 14.073,1076 12.074,1077 22.956,1078 11.03,1079 3.209,1080 12.292,1081 20.482,1082 -1.261,1083 12.83,1084 15.624,1085 13.416,1086 25.449,1087 12.186,1088 2.798,1089 11.042,1090 22.401,1091 4.596,1092 13.983,1093 17.058,1094 14.758,1095 27.899,1096 13.257,1097 2.644,1098 9.018,1099 24.328,1100 4.115,1101 15.18,1102 18.581,1103 16.1,1104 30.385,1105 14.389,1106 2.122,1107 8.535,1108 26.262,1109 3.382,1110 16.358,1111 20.055,1112 17.441,1113 32.857,1114 15.489,1115 1.809,1116 6.621,1117 28.201,1118 3.144,1119 17.554,1120 21.568,1121 18.783,1122 35.344,1123 16.614,1124 1.667,1125 5.148,1126 30.145,1127 2.778,1128 18.744,1129 23.061,1130 20.124,1131 37.827,1132 17.728,1133 8886,1134 15801,1135 20.285,1136 32.66,1137 48.012,1138 47.735,1139 48.862,1140 47.82,1141 47.581,1142 60.084,1143 10.731,1144 145.012,1145 44.85,1146 5.655,1147 6.472,1148 7.067,1149 5.368,1150 5.395,1151 7.596,1152 5.335,1153 20.013,1154 5.146,1155 15.044,1156 1.549,1157 1.54,1158 1.576,1159 1.543,1160 1.535,1161 1.938,1162 0.346,1163 4.678,1164 1.447,1165 4.141,1166 4.191,1167 4.112,1168 4.002,1169 8.513,1170 4.019,1171 3.944,1172 3.973,1173 3.906,1174 3.854,1175 7.999,1176 3.863,1177 3.794,1178 3.84,1179 3.682,1180 3.647,1181 7.999,1182 3.649,1183 3.441,1184 3.491,1185 3.385,1186 3.3,1187 5.104,1188 3.3,1189 3.325,1190 3.376,1191 3.28,1192 3.066,1193 4.676,1194 3.099,1195 3.173,1196 3.258,1197 2.985,1198 3.03,1199 4.614,1200 3.008,1201 3.111,1202 3.206,1203 2.882,1204 2.941,1205 4.37,1206 2.91,1207 3.042,1208 3.133,1209 2.866,1210 2.805,1211 3.953,1212 2.803,1213 0.15,1214 0.144,1215 0.234,1216 0.138,1217 0.11,1218 4.655,1219 0.148,1220 4.472,1221 0.123,1222 7.265,1223 0.397,1224 4.293,1225 0.101,1226 3.395,1227 4.596,1228 3.825,1229 12.292,1230 3.146,1231 1.973,1232 1.949,1233 2.075,1234 2.097,1235 1.386,1236 2.085,1237 1.901,1238 1.861,1239 2.039,1240 2.029,1241 1.271,1242 2.033,1243 1.669,1244 1.624,1245 1.823,1246 1.886,1247 0.988,1248 1.872,1249 1.574,1250 1.52,1251 1.76,1252 1.742,1253 0.839,1254 1.75,1255 1.21,1256 1.135,1257 1.553,1258 1.464,1259 0.825,1260 1.47,1261 1.189,1262 1.13,1263 1.513,1264 1.418,1265 0.632,1266 1.429,1267 1.153,1268 1.064,1269 1.464,1270 1.376,1271 0.599,1272 1.427,1273 1.003,1274 0.95,1275 1.217,1276 1.298,1277 0.429,1278 1.27,1279 4.143,1281 5.509,1282 2.398,1283 7.067,1284 4.844,1285 8.709,1286 7.018,1287 10.393,1289 3.404,1291 39.779,1295 3.685,1297 5.43,1299 0.345,1301 -4.356,1305 31.724,1306 82.337,1307 172.341,1308 229.928,1309 243.928,1310 245.928,1311 245.928,1312 58.553,1313 7.763,1314 39.42,1315 39.42,1316 23,1317 12.747,1318 4.087,1319 3.17,1320 42.298,1321 102,1322 105,1323 0.202,1324 190.118,1325 331.24,1326 455.648,1327 24913,1328 6,1329 19.889,1330 0.71,1331 0.567,1332 17.389,1333 15.883,1334 13.342,1335 0.43,1336 0.304,1337 9.258,1338 12.681,1339 9.032,1340 7.405,1341 12.131,1342 9.425,1343 13.03,1344 0.283,1345 0.159,1346 11.035,1347 7.335,1348 10.516,1349 0.172,1350 0.091,1351 9.811,1352 5.561,1353 8.992,1354 0.111,1355 0.048,1356 8.009,1357 3.899,1358 7.14,1359 0.071,1360 0.026,1361 6.572,1362 2.623,1363 0.311,1364 84.696,1365 0.222,1366 26.354,1367 0.569,1368 154,1369 599.004,1370 180.473,1371 495.275,1372 656.43,1373 462,1374 184,1375 468.972,1376 205.1,1377 454.215,1378 688.84,1379 427,1380 5.8}
{0 CHEMBL2322349,1 1.816,2 10.226,3 4.453,4 19.831,5 109.25,6 8.355,7 0.471,8 4.084,9 4.191,10 3.727,11 3.554,12 5.271,13 3.581,14 4.664,15 4.828,16 4.196,17 3.946,18 6.264,19 3.97,20 4.83,21 5.007,22 4.223,23 4.123,24 6.032,25 4.115,26 4.986,27 5.181,28 4.259,29 4.186,30 6.27,31 4.167,32 5.062,33 5.298,34 4.238,35 4.145,36 6.328,37 4.125,38 4.918,39 5.111,40 4.161,41 4.106,42 6.129,43 4.093,44 4.996,45 5.187,46 4.131,47 4.074,48 6.248,49 4.066,50 4.975,51 5.202,52 4.141,53 3.967,54 6.402,55 3.936,56 0.243,57 0.984,58 8.731,59 4.834,60 34.083,61 5.398,62 1.148,63 1.884,64 20.816,65 7.748,66 172.698,67 9.298,68 0.779,69 1.815,70 23.5,71 9.247,72 60.995,73 11.513,74 0.947,75 2.114,76 28.947,77 11.033,78 101.858,79 13.4,80 1.383,81 2.067,82 37.396,83 11.885,84 170.49,85 14.834,86 0.963,87 1.81,88 27.762,89 9.941,90 118.348,91 11.898,92 1.22,93 1.736,94 31.192,95 9.431,96 156.173,97 11.394,98 1.527,99 1.824,100 34.132,101 10.253,102 154.545,103 13.837,104 54,105 51,106 0.303,107 0.634,108 0.783,109 0.827,110 0.834,111 0.834,112 3.473,113 0.862,114 -5.28,115 -5.17,116 -4.83,119 40.4,120 2,121 1,125 4,132 1,142 4,143 4,146 1,147 1,152 1,158 1,161 1,166 1,167 1,170 1,172 9,174 2,175 7,176 1,178 1,183 12,184 1,186 3,187 6,188 1,190 1,192 1,195 11,198 2,199 5,200 2,202 1,207 7,208 1,211 4,212 9,215 2,217 1,220 5,221 2,224 13,229 2,232 4,233 1,236 1,237 7,238 1,242 1,245 3,246 2,249 2,250 6,253 1,255 2,258 3,259 3,263 6,268 3,271 1,272 1,275 1562,276 20.179,277 20.179,278 20.179,279 20.179,280 20.179,281 18.118,282 24.61,283 11.518,284 20.857,285 16.768,286 16.768,287 16.768,288 16.768,289 16.768,290 13.534,291 30.415,292 5.446,293 17.932,294 3.884,295 1.899,296 1.005,297 0.736,298 0.697,299 0.697,300 4.16,304 1,305 1,306 675,307 3.873,310 66.415,311 271.825,314 122.586,318 1.523,319 58.804,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 71.5,331 317,332 4.733,333 4.472,334 7.265,335 4.302,336 3.396,337 4.698,338 3.825,339 12.293,340 3.18,341 4.573,342 3.635,343 6.911,344 4.239,345 3.298,346 4.118,347 1.437,348 11.624,349 3.07,350 4.093,351 3.332,352 6.241,353 3.774,354 2.824,355 3.553,356 0.86,357 9.259,358 2.685,359 3.902,360 3.102,361 6.082,362 3.617,363 2.684,364 3.2,365 0.8,366 8.766,367 2.486,368 3.855,369 2.956,370 5.998,371 3.51,372 2.553,373 3.125,374 0.68,375 8.313,376 2.374,377 3.291,378 2.423,379 5.221,380 2.887,381 1.946,382 2.524,384 5.802,385 1.822,386 3.071,387 2.238,388 4.806,389 2.696,390 1.759,391 2.221,393 5.054,394 1.633,395 2.92,396 2.027,397 4.674,398 2.594,399 1.656,400 2.046,402 4.623,403 1.535,404 2.885,405 1.788,406 4.416,407 2.421,408 1.459,409 1.98,411 4.127,412 1.414,413 2.848,414 1.513,415 3.894,416 2.414,417 1.414,418 1.951,420 3.173,421 1.377,422 2.361,423 1.492,424 3.732,425 2.034,426 1.138,427 1.3,428 2.719,429 1.008,430 2.184,431 1.256,432 3.527,433 1.952,434 1,435 1.114,436 2.346,437 0.946,438 2,439 1.238,440 3.247,441 1.826,442 0.865,443 1,445 2.136,446 0.822,447 1.522,448 0.649,449 3.187,450 1.244,451 0.26,452 0.315,454 0.695,455 0.255,456 1.162,457 0.51,458 2.85,459 0.867,460 -0.109,461 -0.129,463 -0.276,464 -0.106,465 13.957,466 0.45,467 1.094,468 0.035,469 36.75,470 1.185,471 16,472 0.516,473 20.75,474 0.669,475 30.149,476 0.973,477 35.243,478 0.678,479 32.868,480 1.06,481 7.548,482 0.243,483 7.116,484 0.23,485 0.181,486 0.036,487 0.38,490 3,493 0.646,494 1.095,495 0.651,496 1.162,497 0.623,498 0.982,499 0.563,500 0.8,501 0.652,502 0.87,503 0.345,504 0.816,505 0.66,506 0.929,507 0.832,508 0.993,509 0.528,510 0.985,511 0.822,512 1.095,513 0.993,514 1.17,515 0.788,516 1.151,517 0.95,518 0.965,519 0.915,520 0.875,521 1.016,522 0.87,523 0.997,524 1.051,525 1.094,526 1.139,527 0.933,528 1.135,529 1.119,530 0.843,531 1.229,532 0.998,533 1.106,534 1.107,535 0.695,536 0.707,537 0.867,538 0.973,539 0.828,540 1.008,541 7.5,542 0.293,543 4.444,544 3.014,545 2.067,546 1.869,547 0.837,548 0.76,549 0.517,550 0.303,551 11367,552 41167,553 2.02,554 40.4,555 5,556 12,559 1,560 3,564 1.743,565 1.833,566 3.319,567 -0.265,569 1,573 94.436,574 1.816,575 3.801,576 4.695,577 4.965,578 5.003,579 5.003,580 2.733,581 4.478,582 4.927,583 3.496,584 1625.87,585 8.643,586 22290.1,588 1,590 1,591 296.423,592 1.705,593 4.848,594 0.221,595 0.012,596 0.087,597 0.056,598 0.039,599 0.036,600 0.017,601 0.017,602 0.012,603 0.01,604 0.507,605 0.17,606 1,607 0.9,608 157.959,609 -0.04,610 -0.11,611 0.034,612 -0.067,613 -0.085,614 -0.012,615 0.286,616 0.213,617 0.201,618 0.14,619 0.402,620 0.133,621 -0.019,622 -0.063,623 -0.021,625 0.013,626 -0.012,627 -0.066,628 -0.138,629 -0.122,630 -0.174,631 -0.025,632 -0.17,633 -0.029,634 0.025,635 0.083,636 0.102,637 -0.072,638 0.135,639 -0.176,640 -0.076,641 -0.209,642 -0.146,643 -0.128,644 -0.166,645 -0.255,646 -0.093,647 -0.314,648 -0.097,649 -0.217,650 -0.191,651 0.248,652 0.14,653 0.147,654 -0.031,655 0.113,656 -0.017,657 5.7,658 5.331,659 0.677,660 27.65,661 1.034,662 1.15,663 4.05,664 16.4,665 0.65,666 3.555,667 3.951,668 4.234,669 4.533,670 4.787,671 4.92,672 5.13,673 5.273,674 5.361,675 5.468,676 6.293,677 0.647,678 434.46,679 3.555,680 5.142,681 6.014,682 6.93,683 7.826,684 8.746,685 9.652,686 10.574,687 11.485,688 12.408,689 7.7,695 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,720 1,726 1,731 52,733 17,734 1,735 34,737 55,738 21,739 12,740 3,741 3,742 1,746 4,747 5,752 3,757 1,758 1,761 13,762 8,766 1,771 1,775 1,778 1,779 3,781 21,782 9,783 1,784 10,790 4,794 0.75,795 3,803 1,806 1,811 1,812 3,815 1,838 1,839 1,840 3,844 2,846 3,848 31,853 1,854 5,856 1,859 1,860 1,869 3,870 5.8,872 1,873 1,874 1,877 16.917,878 10.095,879 6.556,880 3.086,881 3.252,882 1.409,883 0.97,884 5.671,885 11.195,886 3.784,887 4.44,888 5.057,889 5.696,890 6.268,891 6.662,892 7.14,893 7.535,894 7.819,895 8.177,896 0.857,897 54,898 12.008,900 5.717,901 8.282,902 21.141,904 17.556,905 2.782,906 86.25,909 1,910 235.422,911 102.455,912 37.737,914 78.828,915 44.88,917 102.455,918 314.25,919 82.617,920 17.65,921 15.931,922 37.905,923 114.902,924 64.668,925 5.085,926 235.422,927 7.76,928 235.422,929 140.191,930 123.708,933 235.422,934 112.709,935 11,937 46.977,938 59.766,939 33.449,941 280.302,942 116.565,943 102.455,946 243.182,947 39.14,948 59.844,950 157.157,951 235.422,952 161.445,953 102.455,955 0.602,956 0.349,957 0.188,958 0.105,959 26,960 13,961 0.073,962 4,963 1,964 1.095,965 3.952,966 297.301,967 0.095,968 21,969 144.825,974 21.603,975 8.139,976 4.125,977 0.329,978 160.281,979 5.532,980 8.97,984 1.481,986 42.683,987 499.322,988 43,993 11.881,997 -1.161,999 53.763,1000 59.793,1001 0.319,1002 0.667,1003 0.824,1004 0.871,1005 0.878,1006 0.878,1007 5.075,1008 1.656,1009 6.066,1010 5.054,1011 4.635,1012 5.127,1013 3.344,1014 6.971,1015 4.514,1016 6.328,1017 1.459,1018 7.695,1019 4.623,1020 4.511,1021 5.182,1022 3.911,1023 8.179,1024 4.268,1025 7.682,1026 1.414,1027 9.432,1028 4.127,1029 6.361,1030 7.411,1031 5.466,1032 11.258,1033 6.115,1034 9.072,1035 1.138,1036 11.232,1037 3.173,1038 7.013,1039 8.262,1040 6.69,1041 13.242,1042 6.651,1043 10.494,1044 1,1045 13.071,1046 2.719,1047 8.421,1048 10.047,1049 8.064,1050 15.907,1051 8.035,1052 11.94,1053 0.865,1054 14.936,1055 2.346,1056 9.391,1057 11.258,1058 9.389,1059 18.188,1060 8.908,1061 13.404,1062 0.26,1063 16.82,1064 2.136,1065 10.651,1066 12.876,1067 10.735,1068 20.725,1069 10.123,1070 3.396,1071 -0.109,1072 18.718,1073 0.695,1074 11.753,1075 14.255,1076 12.074,1077 23.126,1078 11.141,1079 3.298,1080 12.293,1081 20.628,1082 -0.276,1083 12.965,1084 15.811,1085 13.417,1086 25.625,1087 12.296,1088 2.824,1089 11.624,1090 22.546,1091 4.698,1092 14.122,1093 17.271,1094 14.758,1095 28.075,1096 13.378,1097 2.684,1098 9.259,1099 24.472,1100 4.118,1101 15.322,1102 18.806,1103 16.1,1104 30.565,1105 14.515,1106 2.553,1107 8.766,1108 26.404,1109 3.553,1110 16.505,1111 20.304,1112 17.441,1113 33.038,1114 15.626,1115 1.946,1116 8.313,1117 28.342,1118 3.2,1119 17.704,1120 21.835,1121 18.783,1122 35.526,1123 16.76,1124 1.759,1125 5.802,1126 30.284,1127 3.125,1128 18.899,1129 23.351,1130 20.124,1131 38.01,1132 17.885,1133 11055,1134 21204,1135 21.789,1136 33.813,1137 53.066,1138 53.052,1139 54.404,1140 52.75,1141 52.506,1142 66.294,1143 15.204,1144 161.857,1145 49.212,1146 5.733,1147 6.472,1148 7.067,1149 5.406,1150 5.396,1151 7.698,1152 5.335,1153 20.017,1154 5.18,1155 19.05,1156 1.561,1157 1.56,1158 1.6,1159 1.551,1160 1.544,1161 1.95,1162 0.447,1163 4.76,1164 1.447,1165 4.149,1166 4.196,1167 4.13,1168 4.001,1169 8.513,1170 4.022,1171 3.946,1172 3.974,1173 3.91,1174 3.849,1175 7.999,1176 3.863,1177 3.76,1178 3.817,1179 3.656,1180 3.552,1181 7.999,1182 3.568,1183 3.511,1184 3.536,1185 3.457,1186 3.358,1187 7.475,1188 3.371,1189 3.33,1190 3.378,1191 3.33,1192 3.066,1193 6.351,1194 3.1,1195 3.207,1196 3.258,1197 3.144,1198 3.03,1199 5.077,1200 3.008,1201 3.172,1202 3.225,1203 2.98,1204 2.941,1205 4.675,1206 2.956,1207 3.111,1208 3.206,1209 2.866,1210 2.897,1211 4.63,1212 2.91,1213 0.139,1214 0.132,1215 0.214,1216 0.127,1217 0.1,1218 4.733,1219 0.138,1220 4.472,1221 0.113,1222 7.265,1223 0.362,1224 4.302,1225 0.094,1226 3.396,1227 4.698,1228 3.825,1229 12.293,1230 3.18,1231 1.97,1232 1.947,1233 2.067,1234 2.098,1235 1.277,1236 2.072,1237 1.867,1238 1.827,1239 1.963,1240 2.029,1241 1.21,1242 2.022,1243 1.639,1244 1.588,1245 1.813,1246 1.888,1247 0.997,1248 1.867,1249 1.584,1250 1.54,1251 1.759,1252 1.744,1253 0.857,1254 1.751,1255 1.21,1256 1.137,1257 1.553,1258 1.47,1259 0.825,1260 1.47,1261 1.194,1262 1.132,1263 1.513,1264 1.418,1265 0.63,1266 1.435,1267 1.153,1268 1.064,1269 1.464,1270 1.395,1271 0.599,1272 1.429,1273 1.03,1274 1.012,1275 1.137,1276 1.376,1277 0.26,1278 1.302,1279 4.234,1281 5.609,1282 2.398,1283 7.174,1284 4.844,1285 8.825,1286 7.034,1287 10.523,1289 3.14,1291 39.992,1294 9.709,1295 2.298,1297 5.35,1300 1.928,1301 -4.45,1305 33.648,1306 94.436,1307 197.668,1308 244.158,1309 258.158,1310 260.158,1311 260.158,1312 79.221,1313 7.943,1314 79.96,1315 79.96,1316 23,1317 12.917,1318 4.17,1319 3.322,1320 49.091,1321 116,1322 114,1323 0.208,1324 201.977,1325 357.18,1326 484.585,1327 29672,1328 5.8,1329 22.336,1330 0.721,1331 0.549,1332 19.836,1333 17.031,1334 14.664,1335 0.431,1336 0.287,1337 9.551,1338 13.773,1339 9.348,1340 7.639,1341 13.452,1342 9.775,1343 14.5,1344 0.284,1345 0.146,1346 12.505,1347 7.468,1348 11.503,1349 0.169,1350 0.082,1351 10.798,1352 5.545,1353 9.853,1354 0.107,1355 0.042,1356 8.869,1357 3.841,1358 8.023,1359 0.067,1360 0.022,1361 7.455,1362 2.599,1363 0.318,1364 94.316,1365 0.214,1366 28.444,1367 0.598,1368 170,1369 722.535,1370 203.704,1371 606.025,1372 794.76,1373 562,1374 204,1375 562.807,1376 232.14,1377 544.894,1378 825.6,1379 511,1380 5.8}
{0 CHEMBL2322350,1 1.79,2 10.226,3 3.851,4 14.83,5 111.073,6 8.179,7 0.471,8 4.097,9 4.217,10 3.725,11 3.567,12 5.264,13 3.588,14 4.678,15 4.85,16 4.192,17 3.96,18 6.235,19 3.978,20 4.844,21 5.026,22 4.221,23 4.136,24 6.034,25 4.124,26 4.995,27 5.198,28 4.254,29 4.203,30 6.25,31 4.176,32 5.082,33 5.326,34 4.231,35 4.172,36 6.311,37 4.14,38 4.943,39 5.146,40 4.156,41 4.137,42 6.119,43 4.111,44 5.008,45 5.22,46 4.126,47 4.118,48 6.207,49 4.088,50 5.039,51 5.294,52 4.136,53 4.024,54 6.388,55 3.967,56 0.203,57 1.017,58 9.334,59 4.748,60 29.285,61 5.604,62 1.066,63 1.911,64 21.742,65 7.819,66 159.097,67 9.734,68 0.72,69 1.855,70 24.565,71 9.331,72 56.819,73 11.876,74 0.832,75 2.165,76 29.822,77 10.957,78 84.647,79 13.808,80 1.258,81 2.122,82 38.34,83 11.989,84 154.972,85 15.395,86 0.885,87 1.875,88 29.102,89 9.884,90 104.79,91 12.498,92 1,93 1.834,94 31.509,95 9.192,96 123.96,97 12.329,98 1.434,99 1.897,100 37.575,101 10.809,102 143.601,103 15.643,104 54,105 51,106 0.297,107 0.635,108 0.781,109 0.825,110 0.831,111 0.831,112 3.473,113 0.868,114 -4.87,115 -4.78,116 -4.49,119 39.6,120 2,121 1,125 4,132 1,142 4,143 4,146 1,147 1,152 1,158 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 7,177 1,178 1,183 12,186 3,187 6,189 1,190 1,192 1,195 11,197 1,198 2,199 5,201 1,202 1,207 7,211 4,212 9,214 2,215 2,217 1,220 5,222 1,224 13,229 2,232 4,234 2,236 1,237 7,242 1,245 3,247 1,249 2,250 6,252 1,253 1,255 2,258 3,260 2,263 6,268 3,271 1,273 3,275 1562,276 20.179,277 20.179,278 20.179,279 20.179,280 20.179,281 18.118,282 25.157,283 11.518,284 20.831,285 16.768,286 16.768,287 16.768,288 16.768,289 16.768,290 13.534,291 31.115,292 5.446,293 17.893,294 3.938,295 1.901,296 1.024,297 0.76,298 0.722,299 0.722,300 4.16,304 1,305 1,306 675,307 3.873,310 66.415,311 271.825,314 122.586,318 1.523,319 55.407,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 71,331 317,332 4.733,333 4.472,334 7.265,335 4.303,336 3.396,337 4.698,338 3.825,339 12.293,340 3.182,341 4.573,342 3.579,343 6.911,344 4.24,345 3.298,346 4.118,347 0.98,348 11.624,349 3.072,350 4.093,351 3.314,352 6.241,353 3.776,354 2.824,355 3.553,356 0.86,357 9.259,358 2.697,359 3.902,360 3.1,361 6.082,362 3.619,363 2.684,364 3.2,365 0.8,366 8.766,367 2.497,368 3.855,369 2.955,370 5.998,371 3.515,372 2.553,373 3.125,374 0.68,375 8.313,376 2.379,377 3.291,378 2.419,379 5.221,380 2.892,381 1.946,382 2.524,384 5.802,385 1.836,386 3.071,387 2.237,388 4.806,389 2.699,390 1.759,391 2.221,393 5.054,394 1.638,395 2.92,396 2.027,397 4.674,398 2.595,399 1.656,400 2.046,402 4.623,403 1.537,404 2.885,405 1.788,406 4.416,407 2.427,408 1.459,409 1.98,411 4.127,412 1.414,413 2.848,414 1.513,415 3.894,416 2.414,417 1.414,418 1.951,420 3.173,421 1.386,422 2.361,423 1.492,424 3.732,425 2.036,426 1.138,427 1.3,428 2.719,429 1.012,430 2.184,431 1.256,432 3.527,433 1.952,434 1,435 1.114,436 2.346,437 0.946,438 2,439 1.238,440 3.247,441 1.831,442 0.865,443 1,445 2.136,446 0.828,447 1.522,448 0.638,449 3.187,450 1.245,451 0.26,452 0.315,454 0.695,455 0.255,456 1.162,457 0.51,458 2.85,459 0.868,460 -0.109,461 -0.129,463 -0.276,464 -0.106,465 14.024,466 0.452,467 1.094,468 0.035,469 36.75,470 1.185,471 16,472 0.516,473 20.75,474 0.669,475 30.336,476 0.979,477 35.176,478 0.664,479 32.682,480 1.054,481 7.524,482 0.243,483 7.14,484 0.23,485 0.185,486 0.036,487 0.378,490 3,493 0.625,494 1.101,495 0.666,496 1.15,497 0.607,498 0.979,499 0.584,500 0.807,501 0.658,502 0.877,503 0.359,504 0.817,505 0.713,506 0.931,507 0.858,508 0.998,509 0.58,510 0.989,511 0.833,512 1.103,513 1.004,514 1.173,515 0.789,516 1.151,517 0.975,518 0.966,519 0.928,520 0.879,521 1.032,522 0.879,523 1.004,524 1.067,525 1.118,526 1.129,527 0.925,528 1.142,529 0.965,530 0.879,531 1.197,532 1.044,533 0.962,534 1.146,535 0.598,536 0.689,537 0.812,538 0.946,539 0.725,540 0.971,541 7.5,542 0.293,543 4.444,544 3.014,545 2.067,546 1.869,547 0.837,548 0.76,549 0.517,550 0.303,551 11367,552 39637,553 2.02,554 41.5,555 5,556 12,559 2,560 3,564 1.743,565 1.833,566 3.319,567 0.289,569 1,573 94.869,574 1.79,575 3.827,576 4.704,577 4.968,578 5.006,579 5.006,580 2.733,581 4.478,582 4.927,583 3.496,584 1625.87,585 8.643,586 22290.1,588 1,590 1,591 303.58,592 1.705,593 4.848,594 0.221,595 0.012,596 0.087,597 0.056,598 0.039,599 0.036,600 0.017,601 0.017,602 0.012,603 0.01,604 0.507,605 0.17,606 1,607 0.9,608 157.959,609 -0.035,610 -0.094,611 0.037,612 -0.056,613 -0.089,614 0.001,615 0.288,616 0.208,617 0.21,618 0.142,619 0.401,620 0.141,621 -0.041,622 -0.058,623 -0.035,624 0.004,625 -0.005,626 -0.014,627 -0.075,628 -0.135,629 -0.131,630 -0.173,631 -0.026,632 -0.171,633 -0.045,634 0.021,635 0.065,636 0.101,637 -0.077,638 0.121,639 -0.184,640 -0.089,641 -0.231,642 -0.135,643 -0.129,644 -0.175,645 -0.204,646 -0.1,647 -0.303,648 -0.145,649 -0.175,650 -0.222,651 0.28,652 0.128,653 0.202,654 -0.009,655 0.147,656 0.032,657 5.683,658 5.344,659 0.677,660 27.65,661 1.029,662 1.152,663 3.644,664 13.277,665 0.648,666 3.555,667 3.951,668 4.234,669 4.533,670 4.787,671 4.92,672 5.13,673 5.273,674 5.361,675 5.468,676 6.293,677 0.641,678 433.48,679 3.555,680 5.142,681 6.014,682 6.93,683 7.826,684 8.746,685 9.652,686 10.574,687 11.485,688 12.408,689 9.4,695 1,696 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,717 1,726 1,731 53,733 17,734 1,735 34,737 56,738 21,739 12,740 3,741 3,742 1,746 4,747 5,752 3,757 1,758 1,761 13,762 8,766 1,771 1,775 1,778 1,779 3,781 22,782 9,783 2,784 10,790 5,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 31,849 1,854 5,856 1,859 1,860 1,869 3,870 3.8,873 1,874 1,877 16.917,878 10.229,879 6.556,880 3.119,881 3.252,882 1.409,883 0.996,884 5.671,885 11.195,886 3.784,887 4.44,888 5.057,889 5.696,890 6.268,891 6.662,892 7.14,893 7.535,894 7.819,895 8.177,896 0.857,897 54,898 11.976,900 5.662,901 8.218,902 21.233,904 17.627,905 2.718,906 84.25,909 1,910 235.422,911 106.249,912 70.634,914 36.145,915 44.88,917 106.249,918 271.567,919 115.514,920 17.65,921 48.828,922 37.905,923 76.013,924 64.668,925 5.085,926 235.422,927 7.76,928 235.422,929 176.883,930 81.025,933 235.422,934 70.025,935 11,937 79.874,938 63.561,939 33.449,941 280.302,942 106.779,943 106.249,946 243.182,947 42.934,948 59.844,950 147.371,951 235.422,952 151.659,953 106.249,955 0.602,956 0.349,957 0.188,958 0.105,959 26,960 13,961 0.071,962 4,963 1,964 1.095,965 3.952,966 297.301,967 0.095,968 21,969 144.825,974 21.603,975 8.139,976 4.125,977 0.409,978 150.495,979 5.718,980 9.106,984 1.971,986 32.897,987 493.33,988 43,993 12.103,997 -0.661,999 54.538,1000 61.081,1001 0.313,1002 0.668,1003 0.821,1004 0.867,1005 0.874,1006 0.874,1007 5.075,1008 1.656,1009 6.066,1010 5.054,1011 4.635,1012 5.127,1013 3.263,1014 6.971,1015 4.519,1016 6.328,1017 1.459,1018 7.695,1019 4.623,1020 4.511,1021 5.182,1022 3.911,1023 8.179,1024 4.278,1025 7.682,1026 1.414,1027 9.432,1028 4.127,1029 6.361,1030 7.411,1031 5.437,1032 11.258,1033 6.123,1034 9.072,1035 1.138,1036 11.232,1037 3.173,1038 7.013,1039 8.262,1040 6.69,1041 13.242,1042 6.663,1043 10.494,1044 1,1045 13.071,1046 2.719,1047 8.421,1048 10.047,1049 8.059,1050 15.907,1051 8.045,1052 11.94,1053 0.865,1054 14.936,1055 2.346,1056 9.391,1057 11.258,1058 9.389,1059 18.188,1060 8.92,1061 13.404,1062 0.26,1063 16.82,1064 2.136,1065 10.651,1066 12.876,1067 10.734,1068 20.725,1069 10.135,1070 3.396,1071 -0.109,1072 18.718,1073 0.695,1074 11.753,1075 14.255,1076 12.074,1077 23.126,1078 11.154,1079 3.298,1080 12.293,1081 20.628,1082 -0.276,1083 12.965,1084 15.811,1085 13.416,1086 25.625,1087 12.31,1088 2.824,1089 11.624,1090 22.546,1091 4.698,1092 14.122,1093 17.271,1094 14.758,1095 28.075,1096 13.392,1097 2.684,1098 9.259,1099 24.472,1100 4.118,1101 15.322,1102 18.806,1103 16.1,1104 30.565,1105 14.53,1106 2.553,1107 8.766,1108 26.404,1109 3.553,1110 16.505,1111 20.304,1112 17.441,1113 33.038,1114 15.641,1115 1.946,1116 8.313,1117 28.342,1118 3.2,1119 17.704,1120 21.835,1121 18.783,1122 35.526,1123 16.775,1124 1.759,1125 5.802,1126 30.284,1127 3.125,1128 18.899,1129 23.351,1130 20.124,1131 38.01,1132 17.901,1133 11055,1134 20812,1135 21.789,1136 34.364,1137 53.066,1138 53.247,1139 54.404,1140 52.734,1141 52.506,1142 66.294,1143 14.29,1144 161.857,1145 49.358,1146 5.733,1147 6.472,1148 7.067,1149 5.406,1150 5.396,1151 7.698,1152 5.335,1153 20.017,1154 5.182,1155 19.05,1156 1.561,1157 1.566,1158 1.6,1159 1.551,1160 1.544,1161 1.95,1162 0.42,1163 4.76,1164 1.452,1165 4.15,1166 4.198,1167 4.131,1168 4.002,1169 8.513,1170 4.023,1171 3.946,1172 3.974,1173 3.91,1174 3.85,1175 7.999,1176 3.863,1177 3.76,1178 3.817,1179 3.656,1180 3.552,1181 7.999,1182 3.568,1183 3.529,1184 3.567,1185 3.468,1186 3.37,1187 7.437,1188 3.383,1189 3.333,1190 3.381,1191 3.334,1192 3.066,1193 5.092,1194 3.101,1195 3.249,1196 3.316,1197 3.162,1198 3.03,1199 4.865,1200 3.009,1201 3.172,1202 3.258,1203 2.98,1204 2.954,1205 4.675,1206 3.001,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.63,1212 2.91,1213 0.139,1214 0.132,1215 0.214,1216 0.127,1217 0.1,1218 4.733,1219 0.138,1220 4.472,1221 0.113,1222 7.265,1223 0.362,1224 4.303,1225 0.094,1226 3.396,1227 4.698,1228 3.825,1229 12.293,1230 3.182,1231 1.971,1232 1.947,1233 2.067,1234 2.101,1235 1.277,1236 2.075,1237 1.871,1238 1.83,1239 1.966,1240 2.029,1241 1.21,1242 2.024,1243 1.641,1244 1.588,1245 1.818,1246 1.892,1247 0.999,1248 1.873,1249 1.588,1250 1.543,1251 1.763,1252 1.745,1253 0.861,1254 1.752,1255 1.21,1256 1.142,1257 1.553,1258 1.517,1259 0.825,1260 1.481,1261 1.203,1262 1.133,1263 1.513,1264 1.456,1265 0.63,1266 1.469,1267 1.153,1268 1.064,1269 1.473,1270 1.418,1271 0.599,1272 1.429,1273 1.112,1274 1.062,1275 1.31,1276 1.376,1277 0.262,1278 1.399,1279 4.234,1281 5.609,1282 2.398,1283 7.174,1284 4.844,1285 8.825,1286 7.034,1287 10.523,1289 3.201,1291 40.033,1293 5.586,1295 2.483,1297 5.375,1300 1.984,1301 -4.433,1305 33.955,1306 94.869,1307 202.825,1308 249.315,1309 263.315,1310 265.315,1311 265.315,1312 76.209,1313 7.943,1314 85.75,1315 85.75,1316 23,1317 12.917,1318 4.17,1319 3.322,1320 49.091,1321 116,1322 114,1323 0.208,1324 204.775,1325 359.39,1326 491.412,1327 29672,1328 5.7,1329 22.336,1330 0.721,1331 0.554,1332 19.836,1333 17.162,1334 14.664,1335 0.431,1336 0.289,1337 9.622,1338 13.805,1339 9.407,1340 7.697,1341 13.452,1342 9.84,1343 14.5,1344 0.284,1345 0.148,1346 12.505,1347 7.527,1348 11.503,1349 0.169,1350 0.082,1351 10.798,1352 5.578,1353 9.853,1354 0.107,1355 0.042,1356 8.869,1357 3.864,1358 8.023,1359 0.067,1360 0.022,1361 7.455,1362 2.617,1363 0.318,1364 94.027,1365 0.214,1366 28.444,1367 0.598,1368 170,1369 699.697,1370 202.518,1371 588.032,1372 775,1373 546,1374 204,1375 552.622,1376 231.284,1377 535.989,1378 811.6,1379 503,1380 5.2}
{0 CHEMBL2322351,1 1.743,2 10.2,3 4.728,4 22.351,5 108.23,6 8.309,7 0.485,8 4.037,9 4.151,10 3.688,11 3.541,12 5.211,13 3.556,14 4.624,15 4.797,16 4.144,17 3.929,18 6.159,19 3.943,20 4.786,21 4.971,22 4.171,23 4.106,24 5.956,25 4.088,26 4.929,27 5.136,28 4.185,29 4.164,30 6.174,31 4.127,32 4.994,33 5.243,34 4.135,35 4.112,36 6.214,37 4.072,38 4.842,39 5.048,40 4.057,41 4.066,42 6.032,43 4.031,44 4.843,45 5.066,46 4.03,47 4.016,48 6.05,49 3.983,50 4.815,51 5.049,52 4.044,53 3.897,54 6.248,55 3.856,56 0.157,57 0.981,58 8.214,59 4.553,60 24.783,61 5.238,62 0.987,63 1.875,64 20.109,65 7.496,66 146.205,67 9.013,68 0.586,69 1.808,70 22.453,71 8.936,72 46.066,73 11.175,74 0.683,75 2.109,76 27.279,77 10.597,78 76.3,79 13.064,80 1.068,81 2.056,82 35.148,83 11.561,84 144.089,85 14.378,86 0.756,87 1.792,88 25.971,89 9.337,90 97.999,91 11.383,92 0.689,93 1.726,94 25.447,95 7.879,96 90.231,97 10.576,98 1.055,99 1.786,100 27.345,101 8.734,102 105.03,103 12.023,104 41,105 49,106 0.292,107 0.614,108 0.769,109 0.816,110 0.823,111 0.823,112 3.441,113 0.87,114 -5.23,115 -5.12,116 -4.79,119 42,120 2,121 1,125 4,132 1,142 4,143 4,146 1,147 1,152 1,158 1,161 1,166 1,172 9,174 2,175 7,183 12,186 3,187 6,195 11,198 2,199 5,207 7,211 4,212 9,220 5,224 13,232 4,236 1,237 7,245 3,249 2,250 6,258 3,263 6,271 1,275 1444,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 17.834,282 25.657,283 11.355,284 20.529,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.009,291 32.583,292 5.294,293 17.409,294 3.901,295 1.975,296 1.045,297 0.765,298 0.725,299 0.725,300 4.131,304 1,305 1,306 654,307 3.606,310 64.044,311 262.353,314 117.846,318 1.547,319 49.263,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68,331 306,332 4.721,333 4.472,334 7.265,335 4.298,336 3.396,337 4.69,338 3.825,339 12.293,340 3.166,341 4.572,342 4.073,343 6.865,344 4.217,345 3.275,346 4.117,347 2.035,348 11.47,349 3.056,350 4.066,351 3.383,352 6.171,353 3.749,354 2.811,355 3.502,356 0.86,357 9.131,358 2.63,359 3.898,360 3.113,361 6.058,362 3.59,363 2.659,364 3.164,365 0.8,366 8.632,367 2.428,368 3.813,369 2.967,370 5.861,371 3.365,372 2.408,373 3.085,374 0.68,375 7.894,376 2.278,377 3.308,378 2.551,379 5.039,380 2.799,381 1.875,382 2.465,384 5.473,385 1.73,386 3.109,387 2.275,388 4.787,389 2.635,390 1.702,391 2.108,393 4.964,394 1.58,395 2.929,396 2.031,397 4.569,398 2.571,399 1.63,400 2.029,402 4.563,403 1.5,404 2.909,405 1.89,406 4.247,407 2.414,408 1.414,409 1.976,411 3.549,412 1.414,413 2.852,414 1.515,415 3.879,416 2.222,417 1.271,418 1.739,420 3.171,421 1.2,422 2.431,423 1.505,424 3.532,425 1.966,426 1.071,427 1.208,428 2.64,429 0.95,430 2.195,431 1.351,432 3.284,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.256,440 3.247,441 1.478,442 0.525,443 0.851,445 1.112,446 0.498,447 1.537,448 0.697,449 2.972,450 1.158,451 0.192,452 0.259,454 0.397,455 0.185,456 1.182,457 0.51,458 2.776,459 0.834,460 -0.135,461 -0.167,463 -0.31,464 -0.13,465 13.69,466 0.456,467 0.967,468 0.032,469 37.5,470 1.25,471 17.5,472 0.583,473 20,474 0.667,475 27.916,476 0.931,477 33.11,478 0.662,479 31.355,480 1.045,481 7.474,482 0.249,483 6.817,484 0.227,485 0.165,486 0.037,487 0.351,490 3,493 0.59,494 1.082,495 0.635,496 1.152,497 0.545,498 0.98,499 0.607,500 0.776,501 0.673,502 0.843,503 0.349,504 0.8,505 0.684,506 0.905,507 0.845,508 0.979,509 0.494,510 0.973,511 0.827,512 1.08,513 1.009,514 1.16,515 0.79,516 1.148,517 1.04,518 0.951,519 0.952,520 0.847,521 1.092,522 0.859,523 1.018,524 1.047,525 1.129,526 1.083,527 0.979,528 1.121,529 0.798,530 0.888,531 1.106,532 1.011,533 0.857,534 1.094,535 0.6,536 0.765,537 0.87,538 1.039,539 0.792,540 1.063,541 7,542 0.231,543 4.222,544 2.889,545 2.027,546 1.504,547 0.755,548 0.706,549 0.447,550 0.284,551 10620,552 36589,553 2.04,554 40,555 5,556 12,560 3,564 1.734,565 1.865,566 3.326,567 -0.693,573 87.151,574 1.743,575 3.669,576 4.599,577 4.879,578 4.919,579 4.919,580 2.749,581 4.548,582 4.88,583 3.493,584 1519.52,585 8.543,586 20391,588 1,591 282.193,592 1.679,593 4.809,594 0.212,595 0.01,596 0.086,597 0.056,598 0.041,599 0.031,600 0.017,601 0.017,602 0.011,603 0.011,604 0.491,605 0.33,606 1,607 0.888,608 151.529,609 -0.007,610 -0.119,611 0.051,612 -0.099,613 -0.048,614 -0.031,615 0.296,616 0.209,617 0.198,618 0.147,619 0.4,620 0.138,621 -0.039,622 -0.062,623 -0.022,624 -0.005,625 0.02,626 -0.01,627 -0.076,628 -0.139,629 -0.127,630 -0.175,631 -0.022,632 -0.17,633 -0.079,634 0.028,635 0.064,636 0.14,637 -0.095,638 0.153,639 -0.181,640 -0.083,641 -0.23,642 -0.102,643 -0.157,644 -0.157,645 -0.138,646 -0.088,647 -0.227,648 -0.129,649 -0.141,650 -0.172,651 0.315,652 0.154,653 0.116,654 -0.092,655 0.155,656 -0.088,657 5.661,658 5.317,659 0.7,660 26.209,661 1.027,662 1.149,663 3.997,664 15.975,665 0.663,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.86,672 5.063,673 5.215,674 5.293,675 5.394,676 6.243,677 0.654,678 415.46,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.704,685 9.608,686 10.527,687 11.435,688 12.355,689 10,695 1,697 1,698 1,699 2,703 1,704 4,705 2,709 7,711 16,713 1,726 1,731 50,733 17,734 1,735 33,737 53,738 21,739 12,740 3,741 3,746 4,747 5,752 3,757 1,758 1,760 1,761 12,762 8,779 3,781 20,782 8,784 9,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 30,854 5,856 1,859 1,860 1,861 1,866 1,868 1,869 3,870 2,874 1,877 16.083,878 9.929,879 6.444,880 3.044,881 3.309,882 1.42,883 0.992,884 5.341,885 11.195,886 3.784,887 4.416,888 5.057,889 5.696,890 6.268,891 6.662,892 7.14,893 7.535,894 7.819,895 8.177,896 0.857,897 52,898 11.556,900 5.423,901 8.169,902 20.621,904 17.095,905 2.669,906 80.083,908 1,909 1,910 235.422,911 118.146,912 68.796,914 11,915 44.88,917 118.146,918 246.422,919 113.677,920 17.65,921 15.931,922 37.905,923 62.765,924 95.727,925 5.085,926 235.422,927 7.76,928 235.422,929 186.943,930 55.88,933 235.422,934 44.88,935 11,937 78.036,938 75.458,939 33.449,941 280.302,942 79.796,943 118.146,946 243.182,947 38.23,948 59.844,949 16.602,950 120.388,951 235.422,952 124.676,953 118.146,955 0.596,956 0.353,957 0.193,958 0.106,959 25,960 12,961 0.057,962 3,963 1,964 1.095,965 3.917,966 282.599,967 0.095,968 21,969 136.452,974 20.504,975 7.815,976 3.859,977 0.491,978 123.512,979 5.873,980 9.156,984 2.419,987 478.245,988 43,999 51.327,1000 57.457,1001 0.309,1002 0.65,1003 0.815,1004 0.864,1005 0.871,1006 0.871,1007 5.075,1008 1.63,1009 6.023,1010 4.964,1011 4.595,1012 5.103,1013 3.481,1014 6.925,1015 4.468,1016 6.328,1017 1.414,1018 7.648,1019 4.563,1020 4.443,1021 5.112,1022 3.911,1023 8.131,1024 4.184,1025 7.678,1026 1.271,1027 9.382,1028 3.549,1029 6.319,1030 7.392,1031 5.569,1032 11.206,1033 6.06,1034 9.064,1035 1.071,1036 11.18,1037 3.171,1038 6.957,1039 8.22,1040 6.69,1041 13.191,1042 6.575,1043 10.483,1044 1,1045 13.018,1046 2.64,1047 8.376,1048 10.026,1049 8.102,1050 15.853,1051 7.971,1052 11.925,1053 0.525,1054 14.882,1055 2.136,1056 9.341,1057 11.228,1058 9.389,1059 18.134,1060 8.833,1061 13.386,1062 0.192,1063 16.766,1064 1.112,1065 10.604,1066 12.854,1067 10.747,1068 20.67,1069 10.052,1070 3.396,1071 -0.135,1072 18.664,1073 0.397,1074 11.705,1075 14.23,1076 12.074,1077 23.071,1078 11.066,1079 3.275,1080 12.293,1081 20.574,1082 -0.31,1083 12.918,1084 15.789,1085 13.42,1086 25.568,1087 12.222,1088 2.811,1089 11.47,1090 22.492,1091 4.69,1092 14.075,1093 17.247,1094 14.758,1095 28.019,1096 13.301,1097 2.659,1098 9.131,1099 24.419,1100 4.117,1101 15.275,1102 18.783,1103 16.101,1104 30.507,1105 14.438,1106 2.408,1107 8.632,1108 26.352,1109 3.502,1110 16.457,1111 20.279,1112 17.441,1113 32.979,1114 15.546,1115 1.875,1116 7.894,1117 28.29,1118 3.164,1119 17.656,1120 21.81,1121 18.783,1122 35.467,1123 16.678,1124 1.702,1125 5.473,1126 30.233,1127 3.085,1128 18.85,1129 23.325,1130 20.124,1131 37.95,1132 17.801,1133 10287,1134 19265,1135 21.383,1136 33.148,1137 52.197,1138 53.067,1139 52.4,1140 50.694,1141 50.46,1142 64.385,1143 16.4,1144 154.851,1145 47.122,1146 5.721,1147 6.472,1148 7.067,1149 5.402,1150 5.396,1151 7.69,1152 5.86,1153 20.015,1154 5.166,1155 17.298,1156 1.582,1157 1.608,1158 1.588,1159 1.536,1160 1.529,1161 1.951,1162 0.497,1163 4.692,1164 1.428,1165 4.146,1166 4.195,1167 4.127,1168 4.001,1169 8.513,1170 4.022,1171 3.945,1172 3.974,1173 3.909,1174 3.85,1175 7.999,1176 3.863,1177 3.76,1178 3.817,1179 3.656,1180 3.552,1181 7.999,1182 3.567,1183 3.488,1184 3.532,1185 3.434,1186 3.362,1187 6.82,1188 3.369,1189 3.328,1190 3.378,1191 3.32,1192 3.066,1193 5.076,1194 3.1,1195 3.173,1196 3.258,1197 3.096,1198 3.03,1199 4.675,1200 3.008,1201 3.136,1202 3.206,1203 2.978,1204 2.941,1205 4.63,1206 2.943,1207 3.111,1208 3.203,1209 2.866,1210 2.904,1211 4.373,1212 2.91,1213 0.143,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.721,1219 0.142,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.298,1225 0.096,1226 3.396,1227 4.69,1228 3.825,1229 12.293,1230 3.166,1231 1.97,1232 1.947,1233 2.067,1234 2.094,1235 1.276,1236 2.071,1237 1.869,1238 1.825,1239 1.963,1240 2.028,1241 1.209,1242 2.021,1243 1.639,1244 1.587,1245 1.813,1246 1.883,1247 0.991,1248 1.864,1249 1.585,1250 1.537,1251 1.758,1252 1.743,1253 0.839,1254 1.751,1255 1.21,1256 1.136,1257 1.553,1258 1.465,1259 0.825,1260 1.47,1261 1.194,1262 1.131,1263 1.513,1264 1.418,1265 0.628,1266 1.43,1267 1.153,1268 1.064,1269 1.464,1270 1.376,1271 0.598,1272 1.429,1273 1.028,1274 0.975,1275 1.131,1276 1.31,1277 0.258,1278 1.273,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.844,1285 8.785,1286 7.034,1287 10.481,1289 3.259,1291 39.95,1295 2.703,1297 5.38,1300 2.034,1301 -4.411,1303 9.612,1304 2.148,1305 32.713,1306 87.151,1307 183.438,1308 229.928,1309 243.928,1310 245.928,1311 245.928,1312 67.564,1313 7.886,1314 66.45,1315 66.45,1316 23,1317 12.866,1318 4.17,1319 3.459,1320 46.77,1321 111,1322 111,1323 0.206,1324 197.852,1325 347.96,1326 474.518,1327 28033,1328 6,1329 21.466,1330 0.716,1331 0.554,1332 18.966,1333 16.623,1334 14.291,1335 0.433,1336 0.29,1337 9.369,1338 13.496,1339 9.149,1340 7.492,1341 13.08,1342 9.57,1343 13.761,1344 0.281,1345 0.148,1346 11.766,1347 7.274,1348 11.257,1349 0.171,1350 0.082,1351 10.552,1352 5.44,1353 9.645,1354 0.108,1355 0.042,1356 8.661,1357 3.768,1358 7.81,1359 0.069,1360 0.022,1361 7.242,1362 2.54,1363 0.316,1364 91.279,1365 0.216,1366 27.747,1367 0.59,1368 164,1369 670.294,1370 193.97,1371 565.731,1372 747.56,1373 526,1374 197,1375 533.549,1376 222.235,1377 519.283,1378 784.04,1379 487,1380 6}
{0 CHEMBL2322352,1 1.733,2 10.172,3 3.935,4 15.487,5 106.568,6 7.95,7 0.5,8 4.057,9 4.184,10 3.667,11 3.525,12 5.187,13 3.539,14 4.643,15 4.824,16 4.134,17 3.922,18 6.16,19 3.931,20 4.804,21 4.997,22 4.146,23 4.091,24 5.943,25 4.069,26 4.955,27 5.173,28 4.146,29 4.151,30 6.139,31 4.102,32 5.02,33 5.276,34 4.075,35 4.095,36 6.165,37 4.041,38 4.879,39 5.102,40 3.997,41 4.034,42 6.019,43 3.99,44 4.915,45 5.173,46 3.973,47 4.005,48 5.956,49 3.942,50 4.86,51 5.113,52 3.987,53 3.882,54 6.178,55 3.821,56 0.164,57 0.991,58 9.608,59 4.575,60 24.449,61 5.615,62 0.992,63 1.868,64 21.84,65 7.61,66 143.594,67 9.712,68 0.588,69 1.802,70 24.483,71 8.831,72 45.159,73 11.751,74 0.683,75 2.077,76 29.972,77 10.81,78 68.016,79 14.095,80 1.036,81 1.993,82 36.731,83 11.166,84 128.96,85 14.744,86 0.807,87 1.732,88 28.924,89 8.751,90 99.179,91 11.723,92 0.754,93 1.667,94 31.24,95 8.842,96 68.763,97 13.289,98 1.074,99 1.717,100 30.764,101 9.092,102 94.099,103 13.208,104 38,105 48,106 0.291,107 0.621,108 0.774,109 0.82,110 0.827,111 0.827,112 3.409,113 0.88,114 -5.49,115 -5.37,116 -5.01,119 39.2,120 2,121 1,125 4,132 1,142 4,143 4,146 1,147 1,153 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 7,177 1,178 1,180 1,183 12,185 1,186 2,187 5,189 1,190 1,195 11,198 1,199 5,201 2,202 2,204 1,207 7,209 1,211 2,212 8,217 2,220 5,222 2,224 11,229 1,232 4,234 1,236 1,237 6,239 1,240 1,242 2,245 3,247 2,249 1,250 4,255 3,258 3,260 3,263 3,268 1,271 1,273 1,275 1320,276 18.971,277 18.971,278 18.971,279 18.971,280 18.971,281 17.003,282 25.495,283 10.831,284 19.674,285 15.784,286 15.784,287 15.784,288 15.784,289 15.784,290 12.758,291 33.764,292 5.135,293 16.986,294 3.939,295 1.976,296 1.064,297 0.79,298 0.75,299 0.75,300 4.098,304 1,305 1,306 633,307 3.464,310 61.673,311 252.88,314 113.105,318 1.57,319 46.507,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 66,331 295,332 4.707,333 4.472,334 7.265,335 4.297,336 3.396,337 4.674,338 3.825,339 12.293,340 3.159,341 4.571,342 3.407,343 6.849,344 4.208,345 3.267,346 4.117,347 0.86,348 11.388,349 3.048,350 4.038,351 3.118,352 6.161,353 3.743,354 2.808,355 3.458,356 0.8,357 9.101,358 2.617,359 3.896,360 2.971,361 6.054,362 3.586,363 2.656,364 3.152,365 0.68,366 8.599,367 2.419,368 3.674,369 2.573,370 5.795,371 3.303,372 2.356,373 3.011,375 7.602,376 2.211,377 3.191,378 2.275,379 4.985,380 2.782,381 1.861,382 2.434,384 5.368,385 1.711,386 2.96,387 2.031,388 4.781,389 2.622,390 1.691,391 2.081,393 4.918,394 1.568,395 2.916,396 1.878,397 4.54,398 2.557,399 1.616,400 2.018,402 4.541,403 1.484,404 2.854,405 1.514,406 4.157,407 2.414,408 1.414,409 1.975,411 3.34,412 1.414,413 2.515,414 1.502,415 3.875,416 2.156,417 1.223,418 1.519,420 3.169,421 1.134,422 2.203,423 1.326,424 3.53,425 1.952,426 1.031,427 1.175,428 2.625,429 0.946,430 2,431 1.256,432 3.247,433 1.938,434 1,435 1,436 2.136,437 0.927,438 1.558,439 0.671,440 3.23,441 1.302,442 0.325,443 0.386,445 0.863,446 0.317,447 1.214,448 0.51,449 2.879,450 0.916,451 -0.053,452 -0.062,454 -0.131,455 -0.051,456 0.939,457 0.51,458 2.709,459 0.552,460 -0.413,461 -0.533,463 -1.099,464 -0.396,465 13.19,466 0.455,467 1.005,468 0.035,469 34.5,470 1.19,471 15,472 0.517,473 19.5,474 0.672,475 27.664,476 0.954,477 33.01,478 0.647,479 28.821,480 0.994,481 6.983,482 0.241,483 6.77,484 0.233,485 0.171,486 0.038,487 0.364,490 3,493 0.631,494 1.106,495 0.687,496 1.158,497 0.621,498 0.993,499 0.592,500 0.787,501 0.675,502 0.874,503 0.356,504 0.823,505 0.711,506 0.934,507 0.878,508 1.003,509 0.516,510 0.996,511 0.809,512 1.088,513 1.015,514 1.195,515 0.779,516 1.178,517 1.066,518 1.017,519 1.005,520 0.915,521 1.127,522 0.926,523 1.079,524 1.038,525 1.207,526 1.063,527 1.044,528 1.132,529 0.658,530 0.824,531 0.923,532 0.934,533 0.521,534 0.977,535 0.606,536 0.782,537 0.833,538 1.043,539 0.666,540 1.042,541 7,542 0.169,543 4.222,544 2.889,545 1.987,546 1.306,547 0.755,548 0.69,549 0.402,550 0.274,551 9877,552 32182,553 2.041,554 43.1,555 5,556 12,559 2,560 3,564 1.724,565 1.861,566 3.324,567 0.296,569 1,573 88.383,574 1.733,575 3.697,576 4.608,577 4.883,578 4.922,579 4.922,580 2.76,581 4.418,582 4.831,583 3.487,584 1415.53,585 8.438,586 18537.2,588 1,590 1,591 289.294,592 1.694,593 4.757,594 0.219,595 0.008,596 0.088,597 0.058,598 0.042,599 0.03,600 0.018,601 0.018,602 0.011,603 0.011,604 0.503,605 0.33,606 0.88,607 0.805,608 145.065,609 -0.031,610 -0.099,611 0.043,612 -0.059,613 -0.099,614 0.001,615 0.312,616 0.224,617 0.209,618 0.144,619 0.439,620 0.138,621 -0.056,622 -0.063,623 -0.045,624 -0.008,625 0.009,626 -0.021,627 -0.062,628 -0.133,629 -0.13,630 -0.192,631 -0.018,632 -0.187,633 -0.111,634 -0.031,635 -0.01,636 0.064,637 -0.116,638 0.068,639 -0.222,640 -0.067,641 -0.293,642 -0.103,643 -0.186,644 -0.184,645 -0.027,646 -0.084,647 -0.004,648 -0.032,649 0.003,650 -0.005,651 0.297,652 0.105,653 0.156,654 -0.091,655 0.197,656 -0.055,657 5.636,658 5.29,659 0.724,660 24.535,661 1.024,662 1.154,663 4.264,664 18.178,665 0.645,666 3.497,667 3.892,668 4.174,669 4.466,670 4.7,671 4.796,672 4.99,673 5.153,674 5.22,675 5.313,676 6.177,677 0.632,678 405.47,679 3.497,680 5.081,681 5.953,682 6.868,683 7.76,684 8.677,685 9.578,686 10.495,687 11.401,688 12.32,689 9.8,693 1,695 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,722 1,726 1,731 51,733 16,734 1,735 32,737 54,738 20,739 12,740 3,741 3,746 4,747 5,752 3,757 1,758 1,761 12,762 8,778 1,779 3,781 22,782 8,783 2,784 9,790 5,794 0.75,795 1,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 29,849 1,854 5,856 1,859 1,860 1,869 3,870 2,874 1,877 15.583,878 9.812,879 6.111,880 3.015,881 3.194,882 1.408,883 1.005,884 5.176,885 11.021,886 3.714,887 4.379,888 4.998,889 5.625,890 6.174,891 6.533,892 6.983,893 7.414,894 7.662,895 7.983,896 0.857,897 50,898 11.185,900 5.257,901 8.106,902 20.08,904 16.734,905 2.606,906 75.583,908 1,909 1,910 235.422,911 101.116,912 70.634,914 11,915 44.88,917 101.116,918 246.422,919 115.514,920 17.65,921 15.931,922 70.802,923 46.164,924 66.996,925 2.328,926 235.422,927 7.76,928 235.422,929 171.75,930 55.88,933 235.422,934 44.88,935 11,937 49.305,938 88.997,939 33.449,941 280.302,942 81.634,943 101.116,946 243.182,947 37.801,948 59.844,950 122.226,951 235.422,952 126.514,953 101.116,955 0.603,956 0.351,957 0.189,958 0.102,959 25,960 12,961 0.056,962 3,963 1,964 1.095,965 3.859,966 269.329,967 0.095,968 21,969 132.127,974 19.994,975 7.508,976 3.792,977 0.57,978 125.35,979 6.022,980 9.206,984 2.817,986 32.897,987 463.052,988 40,999 52.21,1000 58.872,1001 0.306,1002 0.652,1003 0.812,1004 0.861,1005 0.868,1006 0.868,1007 5.004,1008 1.616,1009 6.004,1010 4.918,1011 4.575,1012 5.066,1013 3.187,1014 6.905,1015 4.442,1016 6.256,1017 1.414,1018 7.63,1019 4.541,1020 4.443,1021 5.112,1022 3.911,1023 8.109,1024 4.176,1025 7.609,1026 1.223,1027 9.365,1028 3.34,1029 6.301,1030 7.358,1031 5.429,1032 11.183,1033 6.033,1034 9,1035 1.031,1036 11.163,1037 3.169,1038 6.948,1039 8.202,1040 6.69,1041 13.166,1042 6.554,1043 10.423,1044 1,1045 13.001,1046 2.625,1047 8.36,1048 9.996,1049 8.058,1050 15.829,1051 7.943,1052 11.869,1053 0.325,1054 14.865,1055 2.136,1056 9.329,1057 11.202,1058 9.389,1059 18.109,1060 8.807,1061 13.333,1062 -0.053,1063 16.749,1064 0.863,1065 10.59,1066 12.824,1067 10.734,1068 20.645,1069 10.023,1070 3.396,1071 -0.413,1072 18.647,1073 -0.131,1074 11.692,1075 14.2,1076 12.074,1077 23.045,1078 11.037,1079 3.267,1080 12.293,1081 20.557,1082 -1.099,1083 12.904,1084 15.757,1085 13.416,1086 25.542,1087 12.191,1088 2.808,1089 11.388,1090 22.476,1091 4.674,1092 14.061,1093 17.212,1094 14.758,1095 27.992,1096 13.27,1097 2.656,1098 9.101,1099 24.403,1100 4.117,1101 15.261,1102 18.746,1103 16.1,1104 30.48,1105 14.404,1106 2.356,1107 8.599,1108 26.336,1109 3.458,1110 16.443,1111 20.239,1112 17.441,1113 32.952,1114 15.512,1115 1.861,1116 7.602,1117 28.275,1118 3.152,1119 17.641,1120 21.767,1121 18.783,1122 35.44,1123 16.642,1124 1.691,1125 5.368,1126 30.218,1127 3.011,1128 18.835,1129 23.279,1130 20.124,1131 37.922,1132 17.763,1133 9527,1134 17377,1135 20.69,1136 32.91,1137 49.668,1138 49.477,1139 50.941,1140 49.507,1141 49.288,1142 62,1143 12.331,1144 151.883,1145 45.909,1146 5.707,1147 6.472,1148 7.067,1149 5.4,1150 5.396,1151 7.674,1152 5.335,1153 20.015,1154 5.159,1155 16.803,1156 1.552,1157 1.546,1158 1.592,1159 1.547,1160 1.54,1161 1.938,1162 0.385,1163 4.746,1164 1.435,1165 4.142,1166 4.194,1167 4.12,1168 3.995,1169 8.513,1170 4.014,1171 3.944,1172 3.973,1173 3.908,1174 3.842,1175 7.999,1176 3.857,1177 3.76,1178 3.817,1179 3.656,1180 3.551,1181 7.999,1182 3.567,1183 3.465,1184 3.519,1185 3.4,1186 3.314,1187 5.226,1188 3.319,1189 3.326,1190 3.377,1191 3.297,1192 3.065,1193 4.831,1194 3.099,1195 3.173,1196 3.258,1197 2.991,1198 3.03,1199 4.668,1200 3.007,1201 3.111,1202 3.206,1203 2.935,1204 2.941,1205 4.63,1206 2.91,1207 3.068,1208 3.164,1209 2.866,1210 2.81,1211 4.363,1212 2.816,1213 0.147,1214 0.14,1215 0.227,1216 0.134,1217 0.106,1218 4.707,1219 0.146,1220 4.472,1221 0.12,1222 7.265,1223 0.384,1224 4.297,1225 0.099,1226 3.396,1227 4.674,1228 3.825,1229 12.293,1230 3.159,1231 1.969,1232 1.946,1233 2.067,1234 2.097,1235 1.276,1236 2.073,1237 1.856,1238 1.808,1239 1.963,1240 2.029,1241 1.209,1242 2.023,1243 1.635,1244 1.585,1245 1.812,1246 1.886,1247 0.988,1248 1.867,1249 1.577,1250 1.522,1251 1.758,1252 1.743,1253 0.83,1254 1.751,1255 1.21,1256 1.134,1257 1.553,1258 1.466,1259 0.825,1260 1.47,1261 1.189,1262 1.129,1263 1.513,1264 1.418,1265 0.627,1266 1.432,1267 1.153,1268 1.064,1269 1.465,1270 1.376,1271 0.598,1272 1.429,1273 0.997,1274 0.937,1275 1.165,1276 1.318,1277 0.257,1278 1.282,1279 4.174,1281 5.549,1282 2.398,1283 7.114,1284 4.844,1285 8.764,1286 7.034,1287 10.46,1289 3.32,1291 39.871,1293 6.204,1295 2.933,1297 5.387,1300 2.085,1301 -4.386,1305 32.24,1306 88.383,1307 188.539,1308 235.029,1309 249.029,1310 251.029,1311 251.029,1312 61.745,1313 7.826,1314 68.68,1315 68.68,1316 23,1317 12.832,1318 4.087,1319 3.17,1320 44.513,1321 106,1322 108,1323 0.205,1324 194.114,1325 335.94,1326 465.399,1327 26396,1328 5.9,1329 20.759,1330 0.716,1331 0.56,1332 18.259,1333 16.253,1334 13.753,1335 0.43,1336 0.293,1337 9.181,1338 12.965,1339 8.967,1340 7.344,1341 12.542,1342 9.386,1343 13.57,1344 0.283,1345 0.15,1346 11.574,1347 7.202,1348 10.927,1349 0.171,1350 0.084,1351 10.222,1352 5.353,1353 9.376,1354 0.109,1355 0.043,1356 8.392,1357 3.71,1358 7.537,1359 0.069,1360 0.023,1361 6.969,1362 2.499,1363 0.315,1364 87.986,1365 0.22,1366 27.027,1367 0.584,1368 160,1369 635.962,1370 190.359,1371 530.369,1372 704.92,1373 494,1374 192,1375 508.986,1376 217.401,1377 493.181,1378 748.43,1379 463,1380 5.7}
{0 CHEMBL2322353,1 1.746,2 10.2,3 4.179,4 17.46,5 108.454,6 7.934,7 0.485,8 4.094,9 4.211,10 3.696,11 3.575,12 5.247,13 3.582,14 4.675,15 4.844,16 4.149,17 3.987,18 6.174,19 3.983,20 4.874,21 5.069,22 4.185,23 4.16,24 5.984,25 4.125,26 5.027,27 5.243,28 4.207,29 4.202,30 6.213,31 4.158,32 5.07,33 5.317,34 4.159,35 4.152,36 6.239,37 4.108,38 4.952,39 5.165,40 4.091,41 4.103,42 6.087,43 4.068,44 4.999,45 5.228,46 4.06,47 4.081,48 6.101,49 4.032,50 4.987,51 5.239,52 4.069,53 3.984,54 6.299,55 3.917,56 0.219,57 0.998,58 10.112,59 5.088,60 28.6,61 6.03,62 0.982,63 1.914,64 22.216,65 8.57,66 152.359,67 10.627,68 0.606,69 1.864,70 26.649,71 10.277,72 52.846,73 13.542,74 0.805,75 2.146,76 32.896,77 11.543,78 81.472,79 15.075,80 1.113,81 2.082,82 38.291,83 11.842,84 141.88,85 15.47,86 0.888,87 1.828,88 31.073,89 9.641,90 101.123,91 12.619,92 0.951,93 1.755,94 33.621,95 9.839,96 98.045,97 13.706,98 1.31,99 1.839,100 35.833,101 10.669,102 122.421,103 15.215,104 41,105 49,106 0.291,107 0.621,108 0.79,109 0.834,110 0.841,111 0.841,112 3.441,113 0.893,114 -5.44,115 -5.32,116 -4.97,119 39.6,120 2,121 3,122 1,125 2,132 1,142 4,143 4,146 2,153 1,161 1,166 1,169 1,172 11,174 1,175 9,178 1,180 1,183 14,186 1,187 8,190 2,192 1,195 13,199 5,202 2,204 2,207 8,211 1,212 10,215 1,217 6,220 8,224 11,229 5,232 8,236 1,237 4,240 1,242 3,245 9,249 1,250 1,253 1,255 5,258 10,263 2,268 4,271 8,275 1444,276 19.842,277 19.842,278 19.842,279 19.842,280 19.842,281 17.926,282 26.344,283 11.355,284 20.471,285 16.221,286 16.221,287 16.221,288 16.221,289 16.221,290 13.186,291 30.016,292 5.294,293 17.251,294 3.982,295 2.005,296 0.986,297 0.722,298 0.684,299 0.684,300 4.131,304 1,305 1,306 654,307 3.606,310 64.044,311 262.353,314 117.846,318 1.547,319 49.534,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 68.5,331 306,332 4.713,333 4.472,334 7.265,335 4.298,336 3.396,337 4.679,338 3.825,339 12.293,340 3.167,341 4.572,342 3.665,343 6.865,344 4.218,345 3.275,346 4.117,347 1.131,348 11.47,349 3.059,350 4.045,351 3.355,352 6.171,353 3.789,354 2.811,355 3.469,356 0.86,357 9.131,358 2.748,359 3.896,360 3.084,361 6.058,362 3.601,363 2.659,364 3.154,365 0.68,366 8.632,367 2.452,368 3.707,369 2.946,370 5.861,371 3.362,372 2.408,373 3.035,375 7.894,376 2.273,377 3.201,378 2.46,379 5.039,380 2.804,381 1.875,382 2.442,384 5.473,385 1.74,386 2.968,387 2.274,388 4.787,389 2.637,390 1.702,391 2.087,393 4.964,394 1.587,395 2.916,396 2.026,397 4.569,398 2.571,399 1.63,400 2.021,402 4.563,403 1.499,404 2.855,405 1.829,406 4.247,407 2.414,408 1.414,409 1.975,411 3.549,412 1.414,413 2.569,414 1.513,415 3.879,416 2.222,417 1.271,418 1.587,420 3.171,421 1.2,422 2.21,423 1.397,424 3.532,425 1.99,426 1.071,427 1.186,428 2.64,429 0.973,430 2,431 1.258,432 3.284,433 1.969,434 1,435 1,436 2.136,437 0.963,438 1.707,439 1.2,440 3.247,441 1.499,442 0.525,443 0.599,445 1.112,446 0.51,447 1.428,448 0.649,449 2.972,450 1.177,451 0.192,452 0.228,454 0.397,455 0.189,456 1.1,457 0.51,458 2.776,459 0.846,460 -0.135,461 -0.157,463 -0.31,464 -0.132,465 13.624,466 0.454,467 0.967,468 0.032,469 34,470 1.133,471 14.5,472 0.483,473 19.5,474 0.65,475 30.718,476 1.024,477 34.376,478 0.649,479 28.554,480 0.952,481 6.752,482 0.225,483 7.54,484 0.251,485 0.161,486 0.037,487 0.36,490 3,493 0.607,494 1.01,495 0.696,496 1.097,497 0.617,498 0.978,499 0.564,500 0.805,501 0.7,502 0.949,503 0.386,504 0.902,505 0.615,506 0.928,507 0.818,508 1.049,509 0.472,510 1.02,511 0.823,512 1.08,513 0.992,514 1.145,515 0.76,516 1.126,517 1.028,518 1.021,519 0.976,520 0.919,521 1.076,522 0.915,523 1.067,524 1.021,525 1.178,526 1.066,527 0.963,528 1.116,529 0.867,530 0.828,531 1.06,532 0.975,533 0.76,534 1.047,535 0.612,536 0.707,537 0.816,538 0.972,539 0.694,540 0.988,541 7,542 0.231,543 4.222,544 2.889,545 2.027,546 1.504,547 0.755,548 0.706,549 0.447,550 0.284,551 10620,552 35345,553 2.04,554 43.4,555 5,556 8,559 2,560 4,561 4,564 1.734,565 1.865,566 3.326,567 0.276,569 1,573 92.544,574 1.746,575 3.723,576 4.742,577 5.006,578 5.044,579 5.044,580 2.749,581 4.548,582 4.88,583 3.493,584 1519.52,585 8.543,586 20391,588 1,590 1,591 303.58,592 1.679,593 4.809,594 0.212,595 0.01,596 0.086,597 0.056,598 0.041,599 0.031,600 0.017,601 0.017,602 0.011,603 0.011,604 0.491,605 0.17,606 0.88,607 0.888,608 151.529,609 0.011,610 -0.008,611 0.035,612 0.022,613 -0.068,614 0.028,615 0.283,616 0.218,617 0.162,618 0.108,619 0.387,620 0.088,621 -0.006,622 -0.076,623 0.014,624 -0.032,625 0.031,626 -0.014,627 -0.067,628 -0.144,629 -0.097,630 -0.154,631 -0.015,632 -0.139,633 -0.095,634 -0.024,635 0.008,636 0.056,637 -0.098,638 0.074,639 -0.212,640 -0.054,641 -0.266,642 -0.108,643 -0.148,644 -0.17,645 -0.113,646 -0.082,647 -0.138,648 -0.069,649 -0.087,650 -0.097,651 0.283,652 0.134,653 0.181,654 -0.029,655 0.17,656 0.003,657 5.654,658 5.322,659 0.7,660 26.209,661 1.025,662 1.151,663 4.212,664 17.744,665 0.644,666 3.526,667 3.912,668 4.205,669 4.5,670 4.745,671 4.86,672 5.063,673 5.215,674 5.293,675 5.394,676 6.243,677 0.631,678 420.48,679 3.526,680 5.106,681 5.979,682 6.893,683 7.787,684 8.704,685 9.608,686 10.527,687 11.435,688 12.355,689 7.5,694 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,723 1,731 53,733 16,734 1,735 33,737 56,738 21,739 12,740 3,741 3,746 4,747 5,752 3,755 2,756 1,757 1,758 3,761 12,762 9,763 1,778 1,779 3,781 23,782 8,783 2,784 9,790 4,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,838 1,839 1,840 3,844 2,846 3,848 30,853 1,854 5,855 1,856 1,858 1,860 1,869 3,870 3.8,871 1,874 1,877 16.083,878 10.062,879 6.444,880 3.211,881 3.196,882 1.405,883 0.969,884 5.648,885 11.082,886 3.738,887 4.391,888 5.018,889 5.649,890 6.206,891 6.578,892 7.038,893 7.456,894 7.717,895 8.052,896 0.857,897 52,898 11.574,900 5.456,901 8.147,902 20.78,904 17.477,905 2.647,906 79.417,908 1,909 1,910 247.193,911 102.402,912 49.085,914 53.806,915 44.88,917 102.402,918 300.999,919 93.966,920 17.65,921 16.788,922 80.711,923 60.636,924 66.628,926 247.193,927 7.76,928 247.193,929 151.487,930 98.686,933 200.109,934 91.965,935 53.806,937 52.919,938 50.647,939 47.921,941 292.073,942 102.891,943 102.402,946 254.953,947 39.087,948 56.719,949 14.473,950 132.134,951 247.193,952 147.771,953 102.402,955 0.596,956 0.353,957 0.193,958 0.106,959 25,960 12,961 0.071,962 4,963 1,964 1.095,965 3.917,966 282.599,967 0.095,968 21,969 138.452,974 20.953,975 8.087,976 4.021,977 0.532,978 146.607,979 5.973,980 9.249,984 2.704,986 57.278,987 497.367,988 41,999 54.32,1000 60.998,1001 0.305,1002 0.65,1003 0.828,1004 0.874,1005 0.881,1006 0.881,1007 5.024,1008 1.63,1009 6.023,1010 4.964,1011 4.595,1012 5.078,1013 3.251,1014 6.925,1015 4.485,1016 6.269,1017 1.414,1018 7.648,1019 4.563,1020 4.443,1021 5.112,1022 3.903,1023 8.131,1024 4.209,1025 7.621,1026 1.271,1027 9.382,1028 3.549,1029 6.319,1030 7.367,1031 5.441,1032 11.206,1033 6.095,1034 9.01,1035 1.071,1036 11.18,1037 3.171,1038 6.957,1039 8.208,1040 6.69,1041 13.191,1042 6.614,1043 10.434,1044 1,1045 13.018,1046 2.64,1047 8.376,1048 10.004,1049 8.059,1050 15.853,1051 8.017,1052 11.88,1053 0.525,1054 14.882,1055 2.136,1056 9.341,1057 11.21,1058 9.388,1059 18.134,1060 8.88,1061 13.344,1062 0.192,1063 16.766,1064 1.112,1065 10.604,1066 12.832,1067 10.734,1068 20.67,1069 10.104,1070 3.396,1071 -0.135,1072 18.664,1073 0.397,1074 11.705,1075 14.209,1076 12.074,1077 23.071,1078 11.116,1079 3.275,1080 12.293,1081 20.574,1082 -0.31,1083 12.918,1084 15.766,1085 13.417,1086 25.568,1087 12.274,1088 2.811,1089 11.47,1090 22.492,1091 4.679,1092 14.075,1093 17.222,1094 14.758,1095 28.019,1096 13.351,1097 2.659,1098 9.131,1099 24.419,1100 4.117,1101 15.275,1102 18.757,1103 16.1,1104 30.507,1105 14.487,1106 2.408,1107 8.632,1108 26.352,1109 3.469,1110 16.457,1111 20.251,1112 17.441,1113 32.979,1114 15.593,1115 1.875,1116 7.894,1117 28.29,1118 3.154,1119 17.656,1120 21.779,1121 18.783,1122 35.467,1123 16.724,1124 1.702,1125 5.473,1126 30.233,1127 3.035,1128 18.85,1129 23.293,1130 20.124,1131 37.95,1132 17.844,1133 10287,1134 18949,1135 21.383,1136 34.12,1137 50.785,1138 52.787,1139 52.4,1140 50.716,1141 50.46,1142 63.159,1143 12.993,1144 154.851,1145 47.544,1146 5.713,1147 6.472,1148 7.067,1149 5.373,1150 5.396,1151 7.679,1152 5.335,1153 20.015,1154 5.167,1155 17.298,1156 1.539,1157 1.6,1158 1.588,1159 1.537,1160 1.529,1161 1.914,1162 0.394,1163 4.692,1164 1.441,1165 4.148,1166 4.197,1167 4.125,1168 4.005,1169 8.513,1170 4.024,1171 3.946,1172 3.974,1173 3.909,1174 3.856,1175 7.999,1176 3.865,1177 3.794,1178 3.84,1179 3.682,1180 3.647,1181 7.999,1182 3.649,1183 3.472,1184 3.521,1185 3.408,1186 3.315,1187 6.503,1188 3.322,1189 3.327,1190 3.378,1191 3.304,1192 3.066,1193 5.082,1194 3.1,1195 3.173,1196 3.258,1197 3.027,1198 3.03,1199 4.675,1200 3.008,1201 3.115,1202 3.206,1203 2.971,1204 2.941,1205 4.614,1206 2.91,1207 3.111,1208 3.187,1209 2.866,1210 2.811,1211 4.367,1212 2.832,1213 0.143,1214 0.136,1215 0.22,1216 0.13,1217 0.103,1218 4.713,1219 0.142,1220 4.472,1221 0.116,1222 7.265,1223 0.373,1224 4.298,1225 0.096,1226 3.396,1227 4.679,1228 3.825,1229 12.293,1230 3.167,1231 1.973,1232 1.949,1233 2.073,1234 2.104,1235 1.387,1236 2.085,1237 1.902,1238 1.863,1239 2.036,1240 2.03,1241 1.271,1242 2.033,1243 1.672,1244 1.626,1245 1.812,1246 1.896,1247 0.993,1248 1.878,1249 1.577,1250 1.525,1251 1.754,1252 1.743,1253 0.848,1254 1.751,1255 1.21,1256 1.135,1257 1.553,1258 1.467,1259 0.825,1260 1.47,1261 1.191,1262 1.13,1263 1.513,1264 1.418,1265 0.632,1266 1.432,1267 1.153,1268 1.064,1269 1.464,1270 1.376,1271 0.599,1272 1.429,1273 1.004,1274 0.95,1275 1.225,1276 1.357,1277 0.429,1278 1.292,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.844,1285 8.785,1286 7.034,1287 10.481,1289 3.281,1291 39.967,1294 9.63,1295 3.203,1296 2.175,1297 5.422,1299 0.189,1301 -4.404,1305 33.46,1306 92.544,1307 197.338,1308 251.315,1309 265.315,1310 267.315,1311 267.315,1312 71.18,1313 7.886,1314 71.68,1315 71.68,1316 23,1317 12.866,1318 4.087,1319 3.17,1320 46.77,1321 111,1322 111,1323 0.206,1324 200.909,1325 351.03,1326 481.977,1327 28033,1328 5.7,1329 21.466,1330 0.716,1331 0.558,1332 18.966,1333 16.753,1334 14.291,1335 0.433,1336 0.298,1337 9.623,1338 13.479,1339 9.411,1340 7.719,1341 13.08,1342 9.82,1343 13.761,1344 0.281,1345 0.156,1346 11.766,1347 7.628,1348 11.257,1349 0.171,1350 0.088,1351 10.552,1352 5.778,1353 9.645,1354 0.108,1355 0.045,1356 8.661,1357 4.048,1358 7.81,1359 0.069,1360 0.024,1361 7.242,1362 2.771,1363 0.316,1364 91.615,1365 0.216,1366 27.747,1367 0.59,1368 164,1369 657.487,1370 193.689,1371 549.091,1372 724.2,1373 510,1374 197,1375 519.103,1376 221.62,1377 501.982,1378 757.32,1379 471,1380 5.8}
{0 CHEMBL2322354,1 1.693,2 10.344,3 4.202,4 17.654,5 117.879,6 7.602,7 0.457,8 4.185,9 4.306,10 3.751,11 3.664,12 5.279,13 3.662,14 4.781,15 4.959,16 4.194,17 4.07,18 6.224,19 4.053,20 4.986,21 5.198,22 4.224,23 4.237,24 6.052,25 4.189,26 5.103,27 5.327,28 4.251,29 4.289,30 6.219,31 4.233,32 5.162,33 5.41,34 4.242,35 4.279,36 6.275,37 4.223,38 5.094,39 5.311,40 4.22,41 4.279,42 6.191,43 4.229,44 5.143,45 5.375,46 4.215,47 4.309,48 6.158,49 4.231,50 5.227,51 5.486,52 4.217,53 4.269,54 6.389,55 4.165,56 0.156,57 1.072,58 12.011,59 5.711,60 26.461,61 7.053,62 0.989,63 2.028,64 26.07,65 9.456,66 156.622,67 12.251,68 0.632,69 1.993,70 31.941,71 11.318,72 63.087,73 15.598,74 0.701,75 2.306,76 36.667,77 12.472,78 75.401,79 16.986,80 1.03,81 2.312,82 41.831,83 12.953,84 126.77,85 17.576,86 0.883,87 2.124,88 36.607,89 11.339,90 99.801,91 15.634,92 0.755,93 2.118,94 38.063,95 12.433,96 71.256,97 18.03,98 1.211,99 2.256,100 44.934,101 14.475,102 123.67,103 20.991,104 43,105 51,106 0.276,107 0.595,108 0.789,109 0.843,110 0.848,111 0.848,112 3.503,113 0.923,114 -5.05,115 -4.95,116 -4.64,119 39,120 2,121 3,122 1,125 4,132 1,142 4,143 4,146 2,153 1,161 1,166 1,172 11,174 1,175 9,178 1,180 1,183 14,186 1,187 8,190 1,191 1,195 13,199 5,202 1,204 2,207 8,211 1,212 10,215 1,217 5,220 8,224 11,227 1,229 1,232 8,236 1,237 4,240 2,242 4,245 9,249 1,250 1,255 7,258 10,263 2,268 2,271 8,275 1780,276 21.256,277 21.256,278 21.256,279 21.256,280 21.256,281 19.34,282 28.257,283 12.489,284 21.92,285 17.259,286 17.259,287 17.259,288 17.259,289 17.259,290 14.247,291 36.273,292 5.893,293 18.401,294 4.189,295 2.233,296 1.047,297 0.716,298 0.682,299 0.682,300 4.194,304 1,305 1,306 702,307 3.873,310 69.527,311 283.166,314 128.521,318 1.594,319 51.343,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 72.5,331 331,332 4.714,333 4.472,334 7.265,335 4.298,336 3.396,337 4.679,338 3.825,339 12.293,340 3.167,341 4.572,342 3.417,343 6.866,344 4.219,345 3.276,346 4.117,347 0.86,348 11.477,349 3.059,350 4.046,351 3.106,352 6.172,353 3.789,354 2.811,355 3.47,356 0.68,357 9.136,358 2.748,359 3.896,360 2.954,361 6.058,362 3.602,363 2.66,364 3.155,365 0.4,366 8.638,367 2.453,368 3.714,369 2.646,370 5.866,371 3.373,372 2.424,373 3.038,375 7.938,376 2.279,377 3.205,378 2.307,379 5.047,380 2.815,381 1.887,382 2.445,384 5.511,385 1.749,386 2.973,387 2.044,388 4.788,389 2.653,390 1.719,391 2.09,393 4.98,394 1.599,395 2.916,396 1.985,397 4.575,398 2.584,399 1.645,400 2.023,402 4.573,403 1.517,404 2.855,405 1.75,406 4.271,407 2.414,408 1.469,409 1.975,411 3.718,412 1.414,413 2.654,414 1.513,415 3.88,416 2.408,417 1.414,418 1.68,420 3.172,421 1.366,422 2.372,423 1.431,424 3.538,425 2.131,426 1.199,427 1.359,428 2.688,429 1.107,430 2.199,431 1.304,432 3.481,433 1.969,434 1.028,435 1.169,436 2.45,437 0.963,438 2,439 1.2,440 3.247,441 1.955,442 1,443 1,445 2.136,446 0.944,447 1.601,448 0.847,449 3.203,450 1.367,451 0.421,452 0.476,454 0.973,455 0.393,456 1.359,457 0.566,458 2.891,459 1.096,460 0.163,461 0.187,463 0.327,464 0.151,465 14.624,466 0.457,467 0.967,468 0.03,469 35.25,470 1.102,471 14.5,472 0.453,473 20.75,474 0.648,475 34.336,476 1.073,477 36.976,478 0.627,479 30.174,480 0.943,481 6.945,482 0.217,483 8.346,484 0.261,485 0.15,486 0.034,487 0.335,490 3,493 0.65,494 1.085,495 0.736,496 1.168,497 0.637,498 1.027,499 0.609,500 0.839,501 0.757,502 0.974,503 0.427,504 0.935,505 0.657,506 0.905,507 0.834,508 0.976,509 0.504,510 0.966,511 0.825,512 1.098,513 0.984,514 1.109,515 0.739,516 1.09,517 1.01,518 1.032,519 0.982,520 0.905,521 1.038,522 0.914,523 1.006,524 0.995,525 1.162,526 1.034,527 0.888,528 1.1,529 0.607,530 0.886,531 0.99,532 1.113,533 0.484,534 1.145,535 0.511,536 0.75,537 0.823,538 1.091,539 0.557,540 1.08,541 7,542 0.268,543 4.222,544 2.889,545 2.027,546 1.532,547 0.912,548 0.806,549 0.46,550 0.33,551 12506,552 39659,553 2.037,554 45.8,555 5,556 12,559 2,560 4,561 4,564 1.752,565 1.873,566 3.36,567 0.239,569 1,573 99.897,574 1.693,575 3.65,576 4.836,577 5.166,578 5.2,579 5.2,580 2.752,581 4.515,582 4.97,583 3.546,584 1758.64,585 8.737,586 24969.1,588 1,591 347.076,592 1.646,593 4.907,594 0.2,595 0.009,596 0.083,597 0.053,598 0.038,599 0.029,600 0.018,601 0.016,602 0.01,603 0.01,604 0.466,605 0.17,606 1,607 1.172,608 165.267,609 -0.03,610 -0.056,611 0.035,612 -0.019,613 -0.086,614 0.016,615 0.27,616 0.188,617 0.137,618 0.081,619 0.372,620 0.062,621 -0.018,622 -0.055,623 0.035,624 0.029,625 0.02,626 0.04,627 -0.081,628 -0.135,629 -0.081,630 -0.111,631 -0.02,632 -0.097,633 -0.095,634 -0.002,635 -0.014,636 0.074,637 -0.095,638 0.068,639 -0.179,640 -0.009,641 -0.25,642 -0.063,643 -0.119,644 -0.143,645 -0.009,646 -0.081,647 -0.113,648 -0.154,649 0.01,650 -0.158,651 0.249,652 0.077,653 0.127,654 -0.118,655 0.168,656 -0.068,657 5.647,658 5.402,659 0.656,660 31.289,661 1.018,662 1.15,663 3.823,664 14.613,665 0.638,666 3.584,667 3.951,668 4.234,669 4.533,670 4.787,671 4.92,672 5.142,673 5.313,674 5.398,675 5.501,676 6.532,677 0.619,678 448.54,679 3.584,680 5.153,681 6.019,682 6.927,683 7.817,684 8.732,685 9.634,686 10.552,687 11.461,688 12.381,689 6.8,694 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,724 1,731 59,733 16,734 1,735 35,737 62,738 23,739 12,740 3,741 3,746 4,747 5,752 4,755 2,756 1,757 1,758 3,761 12,762 11,763 1,778 1,779 3,781 27,782 8,783 2,784 9,790 4,794 0.75,795 2,796 1,803 1,806 1,811 1,812 3,815 1,838 1,839 1,840 3,844 2,846 3,848 32,853 1,854 7,855 1,856 1,858 1,860 1,869 3,870 3.4,871 1,874 1,877 17.083,878 11.062,879 6.944,880 3.636,881 3.197,882 1.4,883 0.961,884 6.639,885 11.195,886 3.784,887 4.416,888 5.031,889 5.663,890 6.226,891 6.609,892 7.079,893 7.508,894 7.775,895 8.111,896 0.857,897 54,898 12.342,900 5.728,901 8.076,902 22.413,904 18.736,905 2.576,906 82.417,909 1,910 294.278,911 104.508,912 52.623,914 53.683,915 44.88,917 104.508,918 347.961,919 97.504,920 17.65,921 18.894,922 80.588,923 64.174,924 66.628,926 294.278,927 7.76,928 294.278,929 157.131,930 98.564,933 247.193,934 91.965,935 53.683,937 55.025,938 50.647,939 51.459,941 339.158,942 106.306,943 104.508,946 302.037,947 41.193,948 56.719,949 18.011,950 132.012,951 294.278,952 151.187,953 104.508,955 0.588,956 0.341,957 0.187,958 0.106,959 25,960 12,961 0.097,962 6,963 1,964 1.095,965 4.082,966 306.23,967 0.095,968 21,969 151.245,974 22.88,975 9.286,976 4.747,977 0.628,978 150.023,979 6.229,980 9.518,984 3.326,986 60.694,987 549.972,988 43,999 60.087,1000 67.829,1001 0.288,1002 0.62,1003 0.822,1004 0.878,1005 0.884,1006 0.884,1007 5.063,1008 1.645,1009 6.052,1010 4.98,1011 4.635,1012 5.103,1013 3.16,1014 6.942,1015 4.521,1016 6.295,1017 1.469,1018 7.667,1019 4.573,1020 4.443,1021 5.112,1022 3.903,1023 8.131,1024 4.209,1025 7.639,1026 1.414,1027 9.394,1028 3.718,1029 6.34,1030 7.374,1031 5.427,1032 11.212,1033 6.112,1034 9.023,1035 1.199,1036 11.188,1037 3.172,1038 6.957,1039 8.208,1040 6.69,1041 13.193,1042 6.613,1043 10.442,1044 1.028,1045 13.023,1046 2.688,1047 8.386,1048 10.006,1049 8.058,1050 15.857,1051 8.025,1052 11.886,1053 1,1054 14.886,1055 2.45,1056 9.342,1057 11.21,1058 9.388,1059 18.137,1060 8.88,1061 13.348,1062 0.421,1063 16.768,1064 2.136,1065 10.61,1066 12.833,1067 10.734,1068 20.673,1069 10.107,1070 3.396,1071 0.163,1072 18.666,1073 0.973,1074 11.707,1075 14.209,1076 12.074,1077 23.073,1078 11.116,1079 3.276,1080 12.293,1081 20.575,1082 0.327,1083 12.922,1084 15.767,1085 13.416,1086 25.571,1087 12.275,1088 2.811,1089 11.477,1090 22.494,1091 4.679,1092 14.077,1093 17.223,1094 14.758,1095 28.021,1096 13.351,1097 2.66,1098 9.136,1099 24.42,1100 4.117,1101 15.278,1102 18.757,1103 16.1,1104 30.51,1105 14.487,1106 2.424,1107 8.638,1108 26.353,1109 3.47,1110 16.459,1111 20.252,1112 17.441,1113 32.982,1114 15.593,1115 1.887,1116 7.938,1117 28.291,1118 3.155,1119 17.659,1120 21.78,1121 18.783,1122 35.47,1123 16.724,1124 1.719,1125 5.511,1126 30.234,1127 3.038,1128 18.852,1129 23.293,1130 20.124,1131 37.953,1132 17.844,1133 12187,1134 21897,1135 22.77,1136 37.642,1137 53.296,1138 53.476,1139 54.918,1140 53.236,1141 53.025,1142 65.726,1143 11.531,1144 160.019,1145 49.818,1146 5.714,1147 6.472,1148 7.126,1149 5.373,1150 5.396,1151 7.679,1152 5.335,1153 20.015,1154 5.167,1155 18.254,1156 1.523,1157 1.528,1158 1.569,1159 1.521,1160 1.515,1161 1.878,1162 0.329,1163 4.572,1164 1.423,1165 4.152,1166 4.202,1167 4.127,1168 4.008,1169 8.513,1170 4.027,1171 3.946,1172 3.975,1173 3.909,1174 3.858,1175 7.999,1176 3.866,1177 3.794,1178 3.84,1179 3.682,1180 3.647,1181 7.999,1182 3.649,1183 3.578,1184 3.645,1185 3.458,1186 3.385,1187 6.456,1188 3.392,1189 3.403,1190 3.454,1191 3.347,1192 3.214,1193 5.097,1194 3.218,1195 3.324,1196 3.376,1197 3.249,1198 3.066,1199 4.676,1200 3.099,1201 3.173,1202 3.258,1203 2.986,1204 3.03,1205 4.614,1206 3.008,1207 3.111,1208 3.206,1209 2.903,1210 2.941,1211 4.377,1212 2.91,1213 0.135,1214 0.128,1215 0.208,1216 0.123,1217 0.097,1218 4.714,1219 0.134,1220 4.472,1221 0.109,1222 7.265,1223 0.351,1224 4.298,1225 0.09,1226 3.396,1227 4.679,1228 3.825,1229 12.293,1230 3.167,1231 1.974,1232 1.949,1233 2.074,1234 2.109,1235 1.388,1236 2.091,1237 1.907,1238 1.867,1239 2.038,1240 2.031,1241 1.271,1242 2.035,1243 1.684,1244 1.635,1245 1.854,1246 1.909,1247 1.049,1248 1.901,1249 1.593,1250 1.544,1251 1.779,1252 1.752,1253 0.964,1254 1.76,1255 1.439,1256 1.37,1257 1.684,1258 1.708,1259 0.825,1260 1.706,1261 1.21,1262 1.134,1263 1.553,1264 1.464,1265 0.817,1266 1.47,1267 1.188,1268 1.129,1269 1.513,1270 1.418,1271 0.631,1272 1.429,1273 1.153,1274 1.064,1275 1.459,1276 1.376,1277 0.599,1278 1.425,1279 4.263,1281 5.617,1282 2.398,1283 7.166,1284 4.844,1285 8.807,1286 7.034,1287 10.498,1289 3.352,1291 40.206,1294 9.278,1295 3.682,1296 3.192,1297 5.477,1299 0.238,1301 -4.397,1305 36.513,1306 99.897,1307 215.327,1308 285.302,1309 304.811,1310 306.811,1311 306.811,1312 77.023,1313 7.998,1314 71.68,1315 71.68,1316 23,1317 12.892,1318 4.087,1319 3.17,1320 51.469,1321 123,1322 128,1323 0.203,1324 220.093,1325 385.63,1326 528.787,1327 31773,1328 5.1,1329 22.88,1330 0.715,1331 0.568,1332 20.38,1333 18.167,1334 15.291,1335 0.437,1336 0.308,1337 10.558,1338 14.481,1339 10.329,1340 8.464,1341 14.08,1342 10.766,1343 14.495,1344 0.284,1345 0.16,1346 12.5,1347 8.167,1348 11.661,1349 0.171,1350 0.089,1351 10.956,1352 6.081,1353 9.973,1354 0.108,1355 0.046,1356 8.99,1357 4.278,1358 8.165,1359 0.069,1360 0.025,1361 7.597,1362 2.957,1363 0.312,1364 97.511,1365 0.21,1366 29.312,1367 0.582,1368 172,1369 665.487,1370 202.022,1371 554.713,1372 733.28,1373 518,1374 205,1375 518.529,1376 229.511,1377 502.589,1378 762.32,1379 473,1380 5.8}
{0 CHEMBL2322355,1 1.763,2 10.313,3 3.802,4 14.457,5 114.95,6 7.991,7 0.457,8 4.144,9 4.265,10 3.757,11 3.61,12 5.278,13 3.624,14 4.732,15 4.913,16 4.216,17 3.995,18 6.242,19 4.006,20 4.895,21 5.084,22 4.224,23 4.16,24 6.053,25 4.145,26 5.028,27 5.239,28 4.269,29 4.238,30 6.214,31 4.2,32 5.119,33 5.361,34 4.262,35 4.223,36 6.309,37 4.191,38 5.033,39 5.246,40 4.234,41 4.206,42 6.199,43 4.181,44 5.066,45 5.293,46 4.205,47 4.225,48 6.135,49 4.176,50 5.121,51 5.345,52 4.205,53 4.173,54 6.433,55 4.107,56 0.18,57 1.054,58 10.298,59 5.053,60 23.333,61 6.157,62 1.077,63 1.963,64 23.82,65 8.236,66 150.081,67 10.583,68 0.743,69 1.903,70 27.097,71 9.37,72 64.872,73 12.268,74 0.773,75 2.228,76 31.842,77 11.595,78 69.524,79 15.095,80 1.178,81 2.224,82 39.505,83 12.07,84 143.591,85 15.822,86 0.998,87 2.015,88 33.213,89 10.075,90 103.177,91 13.484,92 0.842,93 1.999,94 33.907,95 10.52,96 68.681,97 15.004,98 1.344,99 2.101,100 38.39,101 12.271,102 141.801,103 16.811,104 55,105 52,106 0.29,107 0.607,108 0.762,109 0.828,110 0.834,111 0.834,112 3.503,113 0.883,114 -5.49,115 -5.37,116 -5.01,119 39.3,120 3,121 1,125 4,132 1,142 4,143 4,146 1,147 1,153 1,158 1,161 1,166 1,172 9,174 2,175 8,178 2,180 2,183 12,186 2,187 5,190 1,195 11,198 2,199 7,202 2,204 1,207 8,211 3,212 9,217 2,220 5,223 2,224 14,229 1,232 5,236 1,237 8,240 1,242 2,245 5,249 1,250 5,255 3,258 4,262 1,263 6,268 1,271 3,275 1754,276 20.833,277 20.833,278 20.833,279 20.833,280 20.833,281 18.71,282 29.172,283 12.013,284 21.529,285 17.294,286 17.294,287 17.294,288 17.294,289 17.294,290 13.986,291 41.023,292 5.725,293 18.488,294 4.045,295 2.111,296 1.166,297 0.768,298 0.732,299 0.732,300 4.191,304 1,305 1,306 700,307 4,310 69.312,311 282.609,314 128.174,318 1.563,319 53.026,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 73,331 330,332 4.715,333 4.472,334 7.265,335 4.298,336 3.396,337 4.68,338 3.825,339 12.293,340 3.163,341 4.572,342 3.553,343 6.868,344 4.218,345 3.279,346 4.117,347 1.907,348 11.485,349 3.053,350 4.052,351 3.387,352 6.175,353 3.752,354 2.813,355 3.478,356 0.86,357 9.144,358 2.632,359 3.897,360 3.116,361 6.059,362 3.594,363 2.664,364 3.159,365 0.8,366 8.649,367 2.438,368 3.77,369 2.971,370 5.881,371 3.437,372 2.483,373 3.07,374 0.68,375 8.014,376 2.34,377 3.431,378 2.588,379 5.09,380 3.052,381 2.056,382 2.626,383 0.149,384 5.701,385 2.031,386 3.178,387 2.279,388 4.797,389 2.768,390 1.837,391 2.409,393 5.091,394 1.702,395 2.956,396 2.032,397 4.67,398 2.617,399 1.682,400 2.077,402 4.745,403 1.565,404 2.915,405 1.903,406 4.481,407 2.55,408 1.603,409 2.017,411 4.488,412 1.479,413 2.854,414 1.516,415 4.131,416 2.414,417 1.414,418 1.975,420 3.344,421 1.414,422 2.519,423 1.507,424 3.875,425 2.154,426 1.217,427 1.516,428 3.169,429 1.132,430 2.204,431 1.369,432 3.531,433 1.952,434 1.03,435 1.176,436 2.629,437 0.946,438 2,439 1.256,440 3.252,441 1.941,442 1,443 1,445 2.136,446 0.929,447 1.583,448 0.769,449 3.247,450 1.322,451 0.345,452 0.408,454 0.931,455 0.335,456 1.278,457 0.533,458 2.923,459 0.959,460 -0.011,461 -0.013,463 -0.029,464 -0.011,465 14.524,466 0.454,467 1.111,468 0.035,469 38,470 1.188,471 16.5,472 0.516,473 21.5,474 0.672,475 32.11,476 1.003,477 36.476,478 0.651,479 33.393,480 1.044,481 7.726,482 0.241,483 7.421,484 0.232,485 0.185,486 0.034,487 0.365,490 3,493 0.612,494 1.161,495 0.676,496 1.21,497 0.569,498 1.025,499 0.577,500 0.813,501 0.665,502 0.889,503 0.369,504 0.829,505 0.822,506 0.927,507 0.936,508 0.952,509 0.662,510 0.971,511 0.769,512 1.109,513 0.957,514 1.168,515 0.723,516 1.133,517 1.046,518 1.036,519 0.973,520 0.904,521 1.067,522 0.899,523 1.004,524 0.998,525 1.111,526 0.992,527 0.889,528 1.043,529 0.698,530 0.864,531 1.012,532 1.043,533 0.54,534 1.09,535 0.752,536 0.808,537 1.011,538 1.168,539 0.914,540 1.204,541 8,542 0.256,543 4.222,544 3.014,545 2.107,546 1.559,547 1.15,548 0.768,549 0.505,550 0.376,551 12374,552 41924,553 2.019,554 42.9,555 5,556 12,559 1,560 6,564 1.752,565 1.837,566 3.335,567 -0.279,569 1,573 98.701,574 1.763,575 3.696,576 4.642,577 5.039,578 5.075,579 5.075,580 2.743,581 4.453,582 4.972,583 3.525,584 1748.29,585 8.738,586 24720.8,588 1,591 325.212,592 1.693,593 4.896,594 0.229,595 0.009,596 0.081,597 0.056,598 0.039,599 0.029,600 0.022,601 0.015,602 0.011,603 0.011,604 0.502,605 0.17,606 0.88,607 1.042,608 164.97,609 -0.021,610 -0.14,611 0.048,612 -0.099,613 -0.073,614 -0.026,615 0.306,616 0.201,617 0.222,618 0.123,619 0.396,620 0.132,621 -0.109,622 -0.049,623 -0.088,624 0.028,625 -0.048,626 -0.012,627 -0.034,628 -0.131,629 -0.077,630 -0.159,631 -0.008,632 -0.141,633 -0.104,634 -0.024,635 0.006,636 0.074,637 -0.099,638 0.084,639 -0.167,640 -0.024,641 -0.206,642 -0.037,643 -0.109,644 -0.099,645 -0.069,646 -0.063,647 -0.134,648 -0.112,649 -0.018,650 -0.125,651 0.153,652 0.055,653 -0.051,654 -0.192,655 0.047,656 -0.216,657 5.67,658 5.388,659 0.656,660 30.426,661 1.025,662 1.152,663 4.263,664 18.17,665 0.645,666 3.584,667 3.97,668 4.234,669 4.543,670 4.796,671 4.934,672 5.159,673 5.328,674 5.398,675 5.513,676 6.46,677 0.634,678 447.51,679 3.584,680 5.165,681 6.028,682 6.942,683 7.831,684 8.749,685 9.65,686 10.57,687 11.478,688 12.4,689 8.9,695 1,696 1,697 1,699 2,703 1,704 4,705 2,709 7,711 16,726 1,731 56,733 17,734 1,735 35,737 59,738 22,739 12,740 3,741 3,746 4,747 5,752 4,757 1,758 1,761 13,762 9,766 1,771 1,775 1,778 1,779 3,781 24,782 9,783 1,784 10,790 5,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,826 1,839 1,840 3,844 3,846 3,848 32,854 5,855 1,856 1,859 1,860 1,869 3,870 3.6,873 1,874 1,877 17.417,878 11.145,879 6.778,880 3.349,881 3.249,882 1.406,883 0.986,884 6.152,885 11.247,886 3.807,887 4.451,888 5.038,889 5.68,890 6.246,891 6.642,892 7.118,893 7.556,894 7.808,895 8.161,896 0.857,897 54,898 12.333,900 5.739,901 8.148,902 22.073,904 18.167,905 2.648,906 84.75,909 1,910 270.735,911 114.646,912 55.748,914 36.145,915 44.88,917 114.646,918 306.88,919 100.628,920 26.476,921 33.941,922 37.905,923 76.013,924 66.996,925 2.328,926 270.735,927 7.76,928 270.735,929 170.393,930 81.025,933 270.735,934 70.025,935 11,937 76.141,938 60.804,939 33.449,941 315.616,942 91.892,943 114.646,946 278.495,947 42.506,948 68.669,949 18.011,950 114.474,951 270.735,952 136.773,953 114.646,955 0.598,956 0.336,957 0.185,958 0.105,959 26,960 13,961 0.068,962 4,963 1,964 1.095,965 4.043,966 308.369,967 0.095,968 21,969 151.245,974 22.566,975 8.723,976 4.625,977 0.507,978 135.609,979 5.951,980 9.305,984 2.562,986 18.011,987 522.154,988 44,993 11.791,997 -0.256,999 57.421,1000 64.497,1001 0.303,1002 0.636,1003 0.799,1004 0.868,1005 0.874,1006 0.874,1007 5.094,1008 1.682,1009 6.075,1010 5.091,1011 4.654,1012 5.139,1013 3.41,1014 6.967,1015 4.532,1016 6.34,1017 1.603,1018 7.693,1019 4.745,1020 4.511,1021 5.182,1022 3.987,1023 8.152,1024 4.271,1025 7.688,1026 1.414,1027 9.42,1028 4.488,1029 6.365,1030 7.405,1031 5.502,1032 11.227,1033 6.11,1034 9.072,1035 1.217,1036 11.21,1037 3.344,1038 6.995,1039 8.24,1040 6.714,1041 13.201,1042 6.622,1043 10.488,1044 1.03,1045 13.041,1046 3.169,1047 8.407,1048 10.024,1049 8.076,1050 15.864,1051 8.003,1052 11.926,1053 1,1054 14.901,1055 2.629,1056 9.364,1057 11.225,1058 9.395,1059 18.142,1060 8.857,1061 13.384,1062 0.345,1063 16.78,1064 2.136,1065 10.625,1066 12.843,1067 10.738,1068 20.678,1069 10.069,1070 3.396,1071 -0.011,1072 18.676,1073 0.931,1074 11.721,1075 14.217,1076 12.076,1077 23.077,1078 11.076,1079 3.279,1080 12.293,1081 20.583,1082 -0.029,1083 12.933,1084 15.772,1085 13.417,1086 25.575,1087 12.228,1088 2.813,1089 11.485,1090 22.5,1091 4.68,1092 14.087,1093 17.227,1094 14.758,1095 28.025,1096 13.302,1097 2.664,1098 9.144,1099 24.425,1100 4.117,1101 15.287,1102 18.761,1103 16.1,1104 30.513,1105 14.436,1106 2.483,1107 8.649,1108 26.357,1109 3.478,1110 16.467,1111 20.255,1112 17.441,1113 32.985,1114 15.541,1115 2.056,1116 8.014,1117 28.295,1118 3.159,1119 17.666,1120 21.784,1121 18.783,1122 35.473,1123 16.671,1124 1.837,1125 5.701,1126 30.238,1127 3.07,1128 18.859,1129 23.297,1130 20.124,1131 37.956,1132 17.792,1133 12065,1134 22389,1135 22.482,1136 36.125,1137 54.139,1138 54.231,1139 55.445,1140 53.854,1141 53.64,1142 67.415,1143 16.443,1144 163.637,1145 50.318,1146 5.715,1147 6.472,1148 7.067,1149 5.402,1150 5.396,1151 7.68,1152 5.335,1153 20.015,1154 5.163,1155 19.636,1156 1.547,1157 1.549,1158 1.584,1159 1.539,1160 1.533,1161 1.926,1162 0.47,1163 4.675,1164 1.438,1165 4.147,1166 4.198,1167 4.126,1168 3.997,1169 8.513,1170 4.017,1171 3.945,1172 3.974,1173 3.909,1174 3.844,1175 7.999,1176 3.859,1177 3.76,1178 3.817,1179 3.656,1180 3.552,1181 7.999,1182 3.568,1183 3.583,1184 3.63,1185 3.503,1186 3.379,1187 7.43,1188 3.397,1189 3.396,1190 3.445,1191 3.359,1192 3.209,1193 5.098,1194 3.219,1195 3.322,1196 3.375,1197 3.256,1198 3.065,1199 4.676,1200 3.099,1201 3.173,1202 3.258,1203 2.984,1204 3.03,1205 4.63,1206 3.007,1207 3.111,1208 3.206,1209 2.877,1210 2.941,1211 4.381,1212 2.91,1213 0.135,1214 0.128,1215 0.208,1216 0.123,1217 0.097,1218 4.715,1219 0.134,1220 4.472,1221 0.109,1222 7.265,1223 0.351,1224 4.298,1225 0.09,1226 3.396,1227 4.68,1228 3.825,1229 12.293,1230 3.163,1231 1.97,1232 1.946,1233 2.067,1234 2.102,1235 1.277,1236 2.075,1237 1.863,1238 1.815,1239 1.964,1240 2.03,1241 1.21,1242 2.025,1243 1.64,1244 1.587,1245 1.824,1246 1.896,1247 0.997,1248 1.878,1249 1.589,1250 1.54,1251 1.771,1252 1.748,1253 0.865,1254 1.755,1255 1.414,1256 1.357,1257 1.67,1258 1.68,1259 0.825,1260 1.673,1261 1.21,1262 1.134,1263 1.553,1264 1.463,1265 0.7,1266 1.47,1267 1.186,1268 1.127,1269 1.513,1270 1.418,1271 0.627,1272 1.429,1273 1.153,1274 1.064,1275 1.458,1276 1.376,1277 0.598,1278 1.423,1279 4.263,1281 5.631,1282 2.398,1283 7.185,1284 4.844,1285 8.826,1286 7.034,1287 10.516,1289 4.678,1291 40.165,1295 2.674,1296 2.787,1297 5.414,1300 2.052,1301 -4.42,1305 35.481,1306 98.701,1307 206.991,1308 259.928,1309 282.192,1310 284.192,1311 284.192,1312 75.651,1313 7.998,1314 71.76,1315 71.76,1316 23,1317 12.91,1318 4.17,1319 3.322,1320 51.463,1321 122,1322 118,1323 0.205,1324 214.368,1325 376.69,1326 514.817,1327 31619,1328 5.4,1329 23.043,1330 0.72,1331 0.565,1332 20.543,1333 18.084,1334 15.147,1335 0.433,1336 0.294,1337 10.076,1338 14.252,1339 9.803,1340 8.051,1341 13.936,1342 10.301,1343 14.982,1344 0.288,1345 0.151,1346 12.987,1347 7.844,1348 11.507,1349 0.169,1350 0.083,1351 10.802,1352 5.63,1353 10.052,1354 0.108,1355 0.043,1356 9.068,1357 3.958,1358 8.147,1359 0.068,1360 0.022,1361 7.579,1362 2.673,1363 0.315,1364 97.046,1365 0.211,1366 29.243,1367 0.59,1368 174,1369 708.718,1370 207.6,1371 595.349,1372 786.36,1373 554,1374 207,1375 562.031,1376 234.729,1377 544.568,1378 821.32,1379 511,1380 5.7}
{0 CHEMBL2322356,1 1.808,2 10.313,3 3.592,4 12.905,5 113.627,6 8.155,7 0.457,8 4.136,9 4.262,10 3.759,11 3.581,12 5.305,13 3.607,14 4.711,15 4.887,16 4.221,17 3.975,18 6.271,19 3.992,20 4.88,21 5.07,22 4.224,23 4.145,24 6.043,25 4.134,26 5.018,27 5.228,28 4.273,29 4.222,30 6.225,31 4.189,32 5.111,33 5.354,34 4.267,35 4.197,36 6.329,37 4.172,38 5.012,39 5.225,40 4.241,41 4.171,42 6.217,43 4.156,44 5.044,45 5.271,46 4.209,47 4.184,48 6.145,49 4.146,50 5.109,51 5.341,52 4.21,53 4.11,54 6.466,55 4.068,56 0.226,57 1.053,58 9.899,59 4.674,60 29.533,61 5.704,62 1.137,63 1.94,64 22.624,65 7.928,66 160.574,67 10.073,68 0.777,69 1.892,70 25.999,71 9.102,72 65.839,73 11.944,74 0.852,75 2.2,76 30.847,77 11.295,78 71.306,79 14.645,80 1.285,81 2.164,82 39.092,83 11.592,84 157.178,85 15.31,86 1.08,87 1.946,88 31.919,89 9.533,90 110.201,91 12.721,92 0.897,93 1.933,94 32.648,95 9.817,96 75.747,97 14.231,98 1.484,99 2.001,100 38.245,101 10.696,102 164.223,103 15.168,104 55,105 52,106 0.298,107 0.643,108 0.79,109 0.832,110 0.838,111 0.838,112 3.503,113 0.865,114 -4.94,115 -4.84,116 -4.54,119 38.2,120 2,121 1,125 4,132 1,142 4,143 4,146 1,147 1,153 1,159 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 7,177 1,178 3,179 1,180 1,182 1,183 12,186 2,187 5,190 1,195 11,198 2,199 6,201 1,202 3,204 2,207 7,209 1,211 3,212 8,214 1,215 1,217 2,220 5,223 2,224 12,226 2,227 2,229 2,232 4,234 1,236 1,237 8,240 1,242 4,245 3,247 2,249 1,250 5,255 4,258 3,260 1,262 1,263 5,265 1,266 1,268 3,271 1,273 2,275 1754,276 20.833,277 20.833,278 20.833,279 20.833,280 20.833,281 18.71,282 29.351,283 12.013,284 21.558,285 17.294,286 17.294,287 17.294,288 17.294,289 17.294,290 13.986,291 41.275,292 5.725,293 18.532,294 3.974,295 1.882,296 0.987,297 0.732,298 0.696,299 0.696,300 4.191,304 1,305 1,306 700,307 4,310 69.312,311 282.609,314 128.174,318 1.563,319 54.428,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 73.5,331 330,332 4.715,333 4.472,334 7.265,335 4.298,336 3.396,337 4.68,338 3.825,339 12.293,340 3.163,341 4.572,342 3.516,343 6.868,344 4.218,345 3.279,346 4.117,347 1.629,348 11.485,349 3.053,350 4.052,351 3.378,352 6.175,353 3.751,354 2.813,355 3.478,356 0.86,357 9.144,358 2.63,359 3.897,360 3.116,361 6.059,362 3.593,363 2.664,364 3.159,365 0.8,366 8.649,367 2.434,368 3.77,369 2.97,370 5.881,371 3.431,372 2.483,373 3.07,374 0.68,375 8.014,376 2.324,377 3.431,378 2.586,379 5.09,380 3.033,381 2.056,382 2.626,383 0.142,384 5.701,385 1.992,386 3.178,387 2.279,388 4.797,389 2.766,390 1.837,391 2.409,393 5.091,394 1.699,395 2.956,396 2.032,397 4.67,398 2.616,399 1.682,400 2.077,402 4.745,403 1.564,404 2.915,405 1.902,406 4.481,407 2.548,408 1.603,409 2.017,411 4.488,412 1.478,413 2.854,414 1.516,415 4.131,416 2.414,417 1.414,418 1.975,420 3.344,421 1.414,422 2.519,423 1.507,424 3.875,425 2.153,426 1.217,427 1.516,428 3.169,429 1.131,430 2.204,431 1.369,432 3.531,433 1.952,434 1.03,435 1.176,436 2.629,437 0.946,438 2,439 1.256,440 3.252,441 1.94,442 1,443 1,445 2.136,446 0.929,447 1.583,448 0.763,449 3.247,450 1.321,451 0.345,452 0.408,454 0.931,455 0.335,456 1.278,457 0.51,458 2.923,459 0.958,460 -0.011,461 -0.013,463 -0.029,464 -0.011,465 14.424,466 0.451,467 1.111,468 0.035,469 38.25,470 1.195,471 16.5,472 0.516,473 21.75,474 0.68,475 31.316,476 0.979,477 36.576,478 0.665,479 34.187,480 1.068,481 7.848,482 0.245,483 7.299,484 0.228,485 0.18,486 0.035,487 0.367,490 3,493 0.656,494 1.154,495 0.68,496 1.17,497 0.614,498 0.984,499 0.549,500 0.79,501 0.665,502 0.891,503 0.343,504 0.844,505 0.785,506 0.939,507 0.912,508 0.978,509 0.616,510 0.985,511 0.758,512 1.105,513 0.956,514 1.196,515 0.715,516 1.159,517 1.033,518 1.037,519 0.962,520 0.913,521 1.058,522 0.903,523 0.994,524 0.999,525 1.101,526 1.01,527 0.892,528 1.055,529 0.697,530 0.915,531 0.987,532 1.084,533 0.551,534 1.105,535 0.83,536 0.782,537 1.03,538 1.075,539 0.994,540 1.13,541 8,542 0.256,543 4.222,544 3.014,545 2.107,546 1.559,547 1.15,548 0.768,549 0.505,550 0.376,551 12374,552 43684,553 2.019,554 41.8,555 5,556 12,559 3,560 3,564 1.752,565 1.837,566 3.335,567 0.946,569 1,573 99.43,574 1.808,575 3.899,576 4.795,577 5.049,578 5.086,579 5.086,580 2.743,581 4.453,582 4.972,583 3.525,584 1748.29,585 8.738,586 24720.8,588 1,591 317.975,592 1.693,593 4.896,594 0.229,595 0.009,596 0.081,597 0.056,598 0.039,599 0.029,600 0.022,601 0.015,602 0.011,603 0.011,604 0.502,605 0.17,606 1,607 1.042,608 164.97,609 -0.053,610 -0.122,611 0.033,612 -0.064,613 -0.094,614 0.001,615 0.331,616 0.24,617 0.206,618 0.136,619 0.422,620 0.119,621 -0.099,622 -0.055,623 -0.078,624 0.024,625 -0.036,626 -0.01,627 -0.027,628 -0.123,629 -0.082,630 -0.171,631 -0.007,632 -0.156,633 -0.098,634 -0.035,635 0.021,636 0.071,637 -0.098,638 0.091,639 -0.157,640 -0.023,641 -0.201,642 -0.049,643 -0.106,644 -0.11,645 -0.065,646 -0.117,647 -0.11,648 -0.145,649 -0.016,650 -0.132,651 0.103,652 0.069,653 -0.05,654 -0.136,656 -0.163,657 5.684,658 5.376,659 0.656,660 30.426,661 1.03,662 1.156,663 3.707,664 13.745,665 0.643,666 3.584,667 3.97,668 4.234,669 4.543,670 4.796,671 4.934,672 5.159,673 5.328,674 5.398,675 5.513,676 6.46,677 0.636,678 448.5,679 3.584,680 5.165,681 6.028,682 6.942,683 7.831,684 8.749,685 9.65,686 10.57,687 11.478,688 12.4,689 10.9,695 1,696 2,697 1,699 2,703 1,704 4,705 2,709 7,711 16,726 1,731 55,733 17,734 1,735 35,737 58,738 21,739 12,740 3,741 3,746 4,747 5,751 1,752 3,757 1,758 1,761 13,762 8,766 1,771 1,775 1,778 1,779 3,781 23,782 10,783 3,784 11,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 2,846 3,848 32,849 1,854 5,855 1,856 1,859 1,860 1,869 3,870 3.6,873 1,874 1,877 17.417,878 10.479,879 6.778,880 3.182,881 3.249,882 1.406,883 0.995,884 6.125,885 11.247,886 3.807,887 4.451,888 5.038,889 5.68,890 6.246,891 6.642,892 7.118,893 7.556,894 7.808,895 8.161,896 0.857,897 54,898 12.319,900 5.765,901 8.211,902 21.865,904 18.007,905 2.711,906 86.75,909 1,910 235.422,911 105.392,912 88.645,914 36.145,915 44.88,917 105.392,918 271.567,919 133.525,920 17.65,921 66.839,922 37.905,923 71.309,924 66.996,925 6.604,926 235.422,927 7.76,928 235.422,929 194.036,930 81.025,933 235.422,934 70.025,935 11,937 100.213,938 60.375,939 33.449,941 280.302,942 124.79,943 105.392,946 243.182,947 42.077,948 59.844,949 18.011,950 147.371,951 235.422,952 169.67,953 105.392,955 0.598,956 0.336,957 0.185,958 0.105,959 26,960 13,961 0.069,962 4,963 1,964 1.095,965 4.043,966 308.369,967 0.095,968 21,969 151.245,974 22.529,975 8.7,976 4.611,977 0.451,978 168.506,979 5.82,980 9.209,984 2.239,986 50.908,987 510.484,988 44,993 11.568,997 -0.756,999 56.64,1000 63.58,1001 0.313,1002 0.674,1003 0.829,1004 0.873,1005 0.88,1006 0.88,1007 5.094,1008 1.682,1009 6.075,1010 5.091,1011 4.654,1012 5.139,1013 3.356,1014 6.967,1015 4.528,1016 6.34,1017 1.603,1018 7.693,1019 4.745,1020 4.511,1021 5.182,1022 3.956,1023 8.152,1024 4.262,1025 7.688,1026 1.414,1027 9.42,1028 4.488,1029 6.365,1030 7.405,1031 5.469,1032 11.227,1033 6.104,1034 9.072,1035 1.217,1036 11.21,1037 3.344,1038 6.995,1039 8.24,1040 6.701,1041 13.201,1042 6.613,1043 10.488,1044 1.03,1045 13.041,1046 3.169,1047 8.407,1048 10.024,1049 8.065,1050 15.864,1051 7.996,1052 11.926,1053 1,1054 14.901,1055 2.629,1056 9.364,1057 11.225,1058 9.391,1059 18.142,1060 8.85,1061 13.384,1062 0.345,1063 16.78,1064 2.136,1065 10.625,1066 12.843,1067 10.735,1068 20.678,1069 10.064,1070 3.396,1071 -0.011,1072 18.676,1073 0.931,1074 11.721,1075 14.217,1076 12.075,1077 23.077,1078 11.071,1079 3.279,1080 12.293,1081 20.583,1082 -0.029,1083 12.933,1084 15.772,1085 13.417,1086 25.575,1087 12.224,1088 2.813,1089 11.485,1090 22.5,1091 4.68,1092 14.087,1093 17.227,1094 14.758,1095 28.025,1096 13.299,1097 2.664,1098 9.144,1099 24.425,1100 4.117,1101 15.287,1102 18.761,1103 16.1,1104 30.513,1105 14.433,1106 2.483,1107 8.649,1108 26.357,1109 3.478,1110 16.467,1111 20.255,1112 17.441,1113 32.985,1114 15.539,1115 2.056,1116 8.014,1117 28.295,1118 3.159,1119 17.666,1120 21.784,1121 18.783,1122 35.473,1123 16.669,1124 1.837,1125 5.701,1126 30.238,1127 3.07,1128 18.859,1129 23.297,1130 20.124,1131 37.956,1132 17.789,1133 12065,1134 22841,1135 22.482,1136 35.37,1137 54.139,1138 54.327,1139 55.445,1140 53.874,1141 53.64,1142 67.415,1143 15.872,1144 163.637,1145 50.183,1146 5.715,1147 6.472,1148 7.067,1149 5.402,1150 5.396,1151 7.68,1152 5.335,1153 20.015,1154 5.163,1155 19.636,1156 1.547,1157 1.552,1158 1.584,1159 1.539,1160 1.533,1161 1.926,1162 0.453,1163 4.675,1164 1.434,1165 4.146,1166 4.198,1167 4.125,1168 3.997,1169 8.513,1170 4.017,1171 3.945,1172 3.974,1173 3.909,1174 3.844,1175 7.999,1176 3.858,1177 3.76,1178 3.817,1179 3.656,1180 3.551,1181 7.999,1182 3.567,1183 3.547,1184 3.602,1185 3.484,1186 3.342,1187 7.439,1188 3.36,1189 3.368,1190 3.42,1191 3.352,1192 3.066,1193 5.101,1194 3.121,1195 3.317,1196 3.373,1197 3.245,1198 3.058,1199 4.885,1200 3.095,1201 3.173,1202 3.258,1203 2.983,1204 3.03,1205 4.676,1206 3.007,1207 3.111,1208 3.206,1209 2.87,1210 2.941,1211 4.63,1212 2.91,1213 0.135,1214 0.128,1215 0.208,1216 0.123,1217 0.097,1218 4.715,1219 0.134,1220 4.472,1221 0.109,1222 7.265,1223 0.351,1224 4.298,1225 0.09,1226 3.396,1227 4.68,1228 3.825,1229 12.293,1230 3.163,1231 1.97,1232 1.946,1233 2.067,1234 2.101,1235 1.277,1236 2.074,1237 1.861,1238 1.813,1239 1.962,1240 2.03,1241 1.21,1242 2.024,1243 1.637,1244 1.586,1245 1.813,1246 1.894,1247 0.995,1248 1.873,1249 1.583,1250 1.531,1251 1.76,1252 1.746,1253 0.854,1254 1.753,1255 1.255,1256 1.191,1257 1.553,1258 1.634,1259 0.825,1260 1.579,1261 1.21,1262 1.134,1263 1.513,1264 1.462,1265 0.63,1266 1.47,1267 1.177,1268 1.122,1269 1.479,1270 1.418,1271 0.599,1272 1.429,1273 1.153,1274 1.064,1275 1.4,1276 1.376,1277 0.265,1278 1.419,1279 4.263,1281 5.631,1282 2.398,1283 7.185,1284 4.844,1285 8.826,1286 7.034,1287 10.516,1289 3.223,1291 40.129,1293 5.338,1295 2.531,1296 2.565,1297 5.394,1300 2.011,1301 -4.434,1305 34.976,1306 99.43,1307 214.465,1308 263.71,1309 277.71,1310 279.71,1311 279.71,1312 75.824,1313 7.998,1314 97.78,1315 97.78,1316 23,1317 12.91,1318 4.17,1319 3.322,1320 51.463,1321 122,1322 118,1323 0.205,1324 211.57,1325 370.39,1326 507.99,1327 31619,1328 5.5,1329 23.043,1330 0.72,1331 0.552,1332 20.543,1333 17.662,1334 15.147,1335 0.433,1336 0.288,1337 9.855,1338 14.218,1339 9.648,1340 7.905,1341 13.936,1342 10.09,1343 14.982,1344 0.288,1345 0.147,1346 12.987,1347 7.652,1348 11.507,1349 0.169,1350 0.082,1351 10.802,1352 5.577,1353 10.052,1354 0.108,1355 0.042,1356 9.068,1357 3.904,1358 8.147,1359 0.068,1360 0.022,1361 7.579,1362 2.636,1363 0.315,1364 97.334,1365 0.211,1366 29.243,1367 0.59,1368 174,1369 718.03,1370 208.793,1371 605.338,1372 798.04,1373 562,1374 207,1375 570.876,1376 235.395,1377 553.286,1378 834.44,1379 519,1380 5.2}
{0 CHEMBL2322498,1 1.459,2 9.333,3 4.924,4 24.244,5 99.066,6 7.266,7 0.407,8 3.937,9 4.045,10 3.549,11 3.564,12 4.886,13 3.492,14 4.534,15 4.706,16 3.95,17 4.003,18 5.422,19 3.898,20 4.843,21 5.055,22 4.109,23 4.172,24 5.717,25 4.048,26 4.886,27 5.103,28 4.06,29 4.174,30 5.8,31 4.015,32 4.789,33 5.013,34 3.825,35 4.074,36 5.677,37 3.89,38 4.669,39 4.904,40 3.621,41 3.881,42 5.598,43 3.705,44 4.466,45 4.686,46 3.486,47 3.703,48 5.467,49 3.553,50 4.381,51 4.604,52 3.283,53 3.662,54 5.185,55 3.505,56 0.028,57 0.634,58 10.855,59 5.043,60 4.962,61 6.44,62 0.188,63 1.127,64 22.002,65 8.996,66 14.666,67 11.488,68 0.249,69 1.487,70 32.993,71 12.287,72 27.379,73 15.73,74 0.316,75 1.54,76 36.975,77 13.421,78 35.821,79 16.334,80 0.258,81 1.401,82 36.065,83 13.146,84 31.184,85 15.671,86 0.239,87 1.216,88 30.147,89 10.903,90 35.358,91 13.392,92 0.364,93 0.992,94 24.016,95 8.506,96 42.024,97 10.592,98 0.121,99 0.909,100 19.243,101 7.806,102 18.762,103 10.358,104 5,105 38,106 0.251,107 0.545,108 0.726,109 0.814,110 0.842,111 0.842,112 3.229,113 1.075,114 -5.17,115 -5.06,116 -4.74,119 42.6,121 6,124 1,125 1,127 1,142 5,143 2,144 1,152 2,158 1,172 10,174 1,175 5,183 13,187 9,195 9,199 8,207 7,212 6,220 10,224 3,232 7,236 2,237 4,245 8,250 2,258 7,263 2,271 8,275 728,276 16.552,277 16.552,278 16.552,279 16.552,280 16.552,281 15.202,282 15.681,283 9.811,284 16.917,285 13.328,286 13.328,287 13.328,288 13.328,289 13.328,290 11.132,291 17.689,292 4.654,293 13.929,294 4.095,295 2.381,296 1.326,297 0.814,298 0.654,299 0.654,300 3.93,304 1,305 1,306 496,307 3,310 37.331,311 123.044,312 53.383,315 77.954,316 90.298,318 1.417,319 17.079,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.5,331 224,332 4.553,333 3.721,334 6.746,335 4.159,336 3.211,337 4.253,338 1.2,339 11.042,340 3.038,341 4.192,342 3.269,343 6.495,344 3.929,345 2.968,346 3.68,347 0.86,348 9.94,349 2.845,350 3.856,351 2.782,352 5.868,353 3.531,354 2.575,355 3.155,356 0.293,357 8.157,358 2.463,359 3.438,360 2.65,361 5.535,362 3.218,363 2.227,364 2.543,366 6.952,367 2.199,368 3.022,369 2.175,370 4.73,371 2.735,372 1.813,373 2.15,375 4.953,376 1.656,377 2.916,378 1.774,379 4.502,380 2.627,381 1.668,382 2.088,384 4.212,385 1.592,386 2.809,387 1.705,388 3.869,389 2.443,390 1.46,391 1.844,393 3.182,394 1.43,395 2.464,396 1.52,397 3.651,398 2.171,399 1.196,400 1.433,402 2.856,403 1.15,404 2.327,405 1.183,406 3.584,407 2,408 1,409 1.237,411 2.403,412 1,413 2.127,414 1.034,415 3.358,416 1.94,417 0.979,418 1.042,420 2.136,421 0.932,422 2,423 1,424 3.247,425 1.677,426 0.793,427 1,428 2.061,429 0.682,430 1.717,431 0.863,432 3.096,433 1.421,434 0.41,435 0.504,436 0.953,437 0.406,438 1.156,439 0.204,440 2.659,441 0.867,442 -0.071,443 -0.083,445 -0.173,446 -0.065,447 0.847,448 -0.163,449 2.505,450 0.49,451 -0.441,452 -0.541,454 -1.143,455 -0.404,456 0.54,457 -0.497,458 2.234,459 0.225,460 -0.75,461 -0.752,463 -1.609,464 -0.727,465 11.9,466 0.496,467 0.521,468 0.022,469 27,470 1.125,471 12,472 0.5,473 15,474 0.625,475 23.877,476 0.995,477 25.9,478 0.551,479 16.794,480 0.7,481 4.616,482 0.192,483 7.121,484 0.297,485 0.07,487 0.328,493 0.703,494 1.165,495 0.776,496 0.98,497 0.531,498 0.967,499 0.918,500 0.969,501 0.857,502 0.881,503 0.575,504 0.918,505 0.986,506 1.012,507 0.86,508 0.959,509 0.717,510 0.905,511 1.268,512 1.016,513 1.136,514 1.056,515 1.463,516 0.989,517 1.128,518 1.077,519 1.44,520 1.257,521 1.442,522 1.068,523 1.246,524 1.101,525 1.265,526 1.161,527 1.88,528 1.063,529 1.147,530 0.997,531 1.227,532 1.07,533 1.712,534 1.014,535 0.816,536 1.142,537 1.03,538 1.129,539 0.871,540 1.183,541 3.5,542 0.029,543 2.889,544 2.007,545 1.328,546 0.702,547 0.418,548 0.328,549 0.163,550 0.061,551 6351,552 13297,553 2.161,554 48.9,555 6,556 11,561 6,564 1.671,565 2.057,566 3.214,567 -0.823,573 68.585,574 1.459,575 3.174,576 4.228,577 4.74,578 4.9,579 4.9,580 2.669,581 4.054,582 4.558,583 3.323,584 917.102,585 7.873,586 10424.3,588 1,591 261.066,592 1.281,593 4.532,594 0.13,595 0.003,596 0.076,597 0.048,598 0.036,599 0.023,600 0.017,601 0.014,602 0.008,603 0.004,604 0.358,605 0.67,606 1,607 0.49,608 112.442,609 0.021,610 -0.072,611 0.087,612 0.018,613 0.016,614 0.031,615 0.033,616 0.102,617 0.085,618 0.103,619 0.052,620 0.055,621 0.035,622 0.005,623 0.139,624 0.034,625 0.093,626 0.071,627 -0.078,628 0.009,629 0.011,630 0.009,631 -0.08,632 -0.011,633 -0.1,634 -0.055,635 -0.161,636 -0.096,637 -0.11,638 -0.057,639 -0.101,640 -0.105,641 -0.13,642 -0.106,643 -0.133,644 -0.082,645 0.148,646 0.021,647 -0.135,648 -0.052,649 0.053,650 -0.053,651 -0.061,652 -0.173,653 -0.195,654 -0.21,655 -0.034,656 -0.204,657 1.488,658 5.965,659 0.833,660 17.833,661 0.99,662 1.115,663 3.942,664 15.539,665 0.68,666 3.332,667 3.664,668 3.989,669 4.263,670 4.489,671 4.615,672 4.745,673 4.86,674 4.977,675 5.011,676 5.509,677 0.626,678 341.51,679 3.332,680 4.875,681 5.746,682 6.632,683 7.52,684 8.414,685 9.309,686 10.207,687 11.106,688 12.007,689 2.1,696 1,704 5,708 1,709 5,711 11,719 1,729 1,731 47,733 12,734 1,735 27,737 50,738 20,739 10,740 2,741 4,742 1,746 4,747 7,755 7,758 7,761 11,762 9,766 1,771 1,775 1,781 23,782 3,784 4,785 1,790 1,794 0.5,795 2,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,848 24,854 7,856 1,858 1,859 1,865 1,870 4.3,873 1,875 1,877 11.667,878 8.7,879 5.25,880 3.192,881 2.246,882 1.3,883 0.996,884 4.621,885 9.732,886 3.541,887 4.09,888 4.679,889 5.233,890 5.693,891 6.031,892 6.383,893 6.719,894 7.034,895 7.265,896 1,897 42,898 8.966,900 3.876,901 7.507,902 17.83,904 15.418,905 2.007,906 48.167,907 0.001,909 1,910 270.735,911 125.891,912 3.124,914 36.145,916 31.278,917 94.613,918 306.88,919 3.124,920 8.396,921 22.924,922 47.381,923 29.85,924 22.614,925 2.717,926 302.013,928 270.735,929 97.738,930 36.145,931 31.278,933 200.109,934 106.771,937 22.924,938 74.814,940 31.278,941 270.735,942 39.269,943 125.891,946 270.735,947 70.113,948 58.902,950 36.145,951 270.735,952 39.269,953 125.891,955 0.581,956 0.354,957 0.195,958 0.105,959 20,960 8,961 0.04,962 2,963 2,964 1.2,965 3.604,966 205.47,967 0.2,968 20,969 106.039,970 1,974 16.136,975 6.873,976 3.141,978 39.269,979 10.231,983 1.621,984 5.353,987 435.895,988 33.5,993 12.965,997 0.179,999 46.552,1000 52.404,1001 0.263,1002 0.571,1003 0.761,1004 0.853,1005 0.882,1006 0.882,1007 4.794,1008 1.196,1009 5.727,1010 3.182,1011 4.344,1012 4.775,1013 1.679,1014 6.564,1015 4.255,1016 5.969,1017 1,1018 7.3,1019 2.856,1020 3.892,1021 4.527,1022 0.325,1023 7.509,1024 3.748,1025 7.269,1026 0.979,1027 8.981,1028 2.403,1029 5.953,1030 6.899,1031 1.728,1032 10.659,1033 5.775,1034 8.608,1035 0.793,1036 10.724,1037 2.136,1038 6.382,1039 7.553,1040 0.653,1041 12.451,1042 6.134,1043 9.986,1044 0.41,1045 12.508,1046 2.061,1047 7.876,1048 9.369,1049 1.872,1050 15.101,1051 7.601,1052 11.39,1053 -0.071,1054 14.319,1055 0.953,1056 8.698,1057 10.427,1058 1.001,1059 17.222,1060 8.349,1061 12.814,1062 -0.441,1063 16.149,1064 -0.173,1065 9.972,1066 12.023,1067 2.071,1068 19.702,1069 9.591,1070 3.211,1071 -0.75,1072 17.992,1073 -1.143,1074 10.972,1075 13.272,1076 1.37,1077 21.965,1078 10.52,1079 2.968,1080 11.042,1081 19.844,1082 -1.609,1083 12.161,1084 14.774,1085 2.309,1086 24.382,1087 11.669,1088 2.575,1089 9.94,1090 21.704,1091 4.253,1092 13.24,1093 16.116,1094 1.754,1095 26.708,1096 12.682,1097 2.227,1098 8.157,1099 23.57,1100 3.68,1101 14.398,1102 17.579,1103 2.576,1104 29.103,1105 13.794,1106 1.813,1107 6.952,1108 25.441,1109 3.155,1110 15.514,1111 18.967,1112 2.143,1113 31.46,1114 14.848,1115 1.668,1116 4.953,1117 27.315,1118 2.543,1119 16.662,1120 20.415,1121 2.865,1122 33.847,1123 15.946,1124 1.46,1125 4.212,1126 29.193,1127 2.15,1128 17.795,1129 21.828,1130 2.535,1131 36.22,1132 17.02,1133 5963,1134 8796,1135 18.493,1136 31.938,1137 41.064,1138 42.016,1139 41.807,1140 40.68,1141 40.6,1142 49.857,1143 4.706,1144 117.693,1145 38.787,1146 5.553,1147 5.721,1148 6.548,1149 5.31,1150 5.211,1151 7.253,1152 2.293,1153 18.307,1154 5.038,1155 8.177,1156 1.521,1157 1.556,1158 1.548,1159 1.507,1160 1.504,1161 1.847,1162 0.174,1163 4.359,1164 1.437,1165 4.051,1166 4.062,1167 4.289,1168 4.05,1169 7.428,1170 4.004,1171 3.881,1172 3.934,1173 3.784,1174 3.761,1175 4.884,1176 3.753,1177 3.732,1178 3.754,1179 3.733,1180 3.696,1181 4.481,1182 3.666,1183 3.474,1184 3.537,1185 3.352,1186 3.28,1187 4.327,1188 3.285,1189 3.305,1190 3.359,1191 3.269,1192 3.135,1193 4.296,1194 3.112,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.949,1200 2.91,1201 2.971,1202 3.065,1203 2.835,1204 2.808,1205 3.611,1206 2.799,1207 2.914,1208 2.96,1209 2.793,1210 2.739,1211 3.529,1212 2.714,1213 0.169,1214 0.138,1215 0.25,1216 0.154,1217 0.119,1218 4.553,1219 0.158,1220 3.721,1221 0.044,1222 6.746,1223 0.409,1224 4.159,1225 0.113,1226 3.211,1227 4.253,1228 1.2,1229 11.042,1230 3.038,1231 1.896,1232 1.881,1233 2.097,1234 2.039,1235 1.484,1236 2.06,1237 1.88,1238 1.825,1239 1.985,1240 1.966,1241 1.159,1242 1.976,1243 1.663,1244 1.63,1245 1.842,1246 1.803,1247 1.076,1248 1.816,1249 1.502,1250 1.483,1251 1.692,1252 1.702,1253 0.897,1254 1.709,1255 1.231,1256 1.179,1257 1.513,1258 1.39,1259 0.825,1260 1.429,1261 1.153,1262 1.106,1263 1.417,1264 1.376,1265 0.653,1266 1.419,1267 1.143,1268 1.064,1269 1.396,1270 1.258,1271 0.56,1272 1.305,1273 1.001,1274 0.898,1275 1.208,1276 1.248,1277 0.502,1278 1.294,1279 4.007,1281 5.333,1282 2.398,1283 6.855,1284 4.844,1285 8.463,1286 7.034,1287 10.115,1289 1.973,1295 7.617,1297 5.844,1299 0.406,1300 1.979,1305 29.433,1306 68.585,1307 149.178,1308 198.727,1309 222.801,1310 230.311,1311 230.311,1312 36.15,1313 7.486,1314 29.54,1315 57.78,1316 24,1317 12.529,1318 3.7,1319 2.907,1320 33.807,1321 80,1322 78,1323 0.212,1324 181.397,1325 314.57,1326 434.369,1327 18003,1329 16.518,1330 0.688,1331 0.621,1332 16.872,1333 14.902,1334 11.737,1335 0.435,1336 0.358,1337 8.852,1338 11.002,1339 8.566,1340 7.068,1341 12.145,1342 9.675,1343 10.411,1344 0.274,1345 0.206,1346 11.027,1347 7.82,1348 9.42,1349 0.178,1350 0.121,1351 10.295,1352 6.422,1353 7.807,1354 0.112,1355 0.072,1356 8.797,1357 5.03,1358 6.325,1359 0.072,1360 0.041,1361 7.202,1362 3.626,1363 0.326,1364 76.613,1365 0.233,1366 23.107,1367 0.604,1368 130,1369 321.977,1370 163.795,1371 330.199,1372 459.59,1373 312,1374 156,1375 325.651,1376 190.698,1377 345.654,1378 514.7,1379 327,1380 6.053}
{0 CHEMBL2322499,1 1.517,2 7.857,3 3.792,4 14.378,5 87.219,6 7.536,7 0.478,8 3.773,9 3.877,10 3.416,11 3.393,12 4.802,13 3.325,14 4.329,15 4.501,16 3.824,17 3.798,18 5.299,19 3.706,20 4.567,21 4.742,22 3.994,23 3.969,24 5.58,25 3.871,26 4.668,27 4.856,28 3.947,29 4.01,30 5.704,31 3.856,32 4.595,33 4.815,34 3.641,35 3.884,36 5.522,37 3.69,38 4.358,39 4.572,40 3.29,41 3.614,42 5.293,43 3.441,44 4.205,45 4.437,46 3.157,47 3.366,48 5.253,49 3.249,50 4.123,51 4.348,52 2.975,53 3.348,54 5.017,55 3.2,56 0.015,57 0.536,58 8.84,59 4.187,60 5.687,61 5.209,62 0.175,63 0.919,64 18.034,65 7.187,66 15.588,67 8.889,68 0.212,69 1.148,70 24.93,71 9.172,72 24.236,73 11.147,74 0.245,75 1.233,76 30.058,77 11.277,78 38.659,79 13.038,80 0.258,81 1.151,82 31.651,83 11.245,84 37.736,85 12.849,86 0.139,87 0.925,88 23.363,89 8.327,90 21.548,91 9.98,92 0.298,93 0.739,94 15.361,95 5.685,96 33.959,97 7.723,98 0.094,99 0.686,100 13.47,101 5.595,102 18.842,103 7.607,104 20,105 33,106 0.271,107 0.591,108 0.772,109 0.824,110 0.833,111 0.833,112 3.105,113 1.045,114 -4.47,115 -4.4,116 -4.15,119 42.5,120 2,121 1,124 1,125 1,127 1,142 5,143 2,144 1,152 2,158 1,172 6,174 1,175 5,183 10,187 7,195 7,199 7,207 7,212 4,220 10,224 2,232 3,236 2,237 4,245 4,250 2,258 2,263 2,271 4,275 478,276 13.983,277 13.983,278 13.983,279 13.983,280 13.983,281 12.633,282 15.681,283 8.094,284 14.366,285 11.308,286 11.308,287 11.308,288 11.308,289 11.308,290 9.112,291 17.689,292 3.797,293 11.922,294 3.805,295 2.013,296 0.997,297 0.707,298 0.657,299 0.657,300 3.781,303 1,304 1,305 1,306 350,307 3.391,310 32.127,311 43.483,312 44.542,315 65.972,316 75.429,318 1.224,319 15.922,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 44.5,331 165,332 4.552,333 3.714,334 6.743,335 4.155,336 3.208,337 4.253,338 1.2,339 11.033,340 3.035,341 4.18,342 3.267,343 6.437,344 3.888,345 2.927,346 3.679,347 0.86,348 9.665,349 2.804,350 3.824,351 2.756,352 5.815,353 3.472,354 2.521,355 3.137,356 0.293,357 7.915,358 2.401,359 3.277,360 2.517,361 5.356,362 3.045,363 2.074,364 2.384,366 6.237,367 2.001,368 3.022,369 2.175,370 4.726,371 2.734,372 1.811,373 2.148,375 4.949,376 1.656,377 2.908,378 1.742,379 4.124,380 2.446,381 1.461,382 2.078,384 3.221,385 1.434,386 2.611,387 1.52,388 3.855,389 2.212,390 1.254,391 1.578,393 3.142,394 1.181,395 2.353,396 1.183,397 3.597,398 1.936,399 0.978,400 1.277,402 2.387,403 0.927,404 2.127,405 1.05,406 3.357,407 1.677,408 0.792,409 1.042,411 2.061,412 0.682,413 1.652,414 0.863,415 2.88,416 1.361,417 0.354,418 0.43,420 0.778,421 0.349,422 1.156,423 0.204,424 2.652,425 0.867,426 -0.072,427 -0.084,428 -0.176,429 -0.066,430 0.847,431 -0.163,432 2.5,433 0.49,434 -0.441,435 -0.541,436 -1.143,437 -0.404,438 0.539,439 -0.502,440 2,441 0.085,442 -0.899,443 -1,445 -2,446 -0.876,447 0.26,448 -0.837,449 2,451 -1,452 -1.247,454 -2.175,455 -1,456 0.111,457 -1,458 1.65,459 -0.15,460 -1.171,461 -1.393,463 -3.082,464 -1.115,465 10.4,466 0.495,467 0.597,468 0.028,469 25,470 1.19,471 12,472 0.571,473 13,474 0.619,475 19.087,476 0.909,477 22.6,478 0.565,479 16.014,480 0.763,481 4.641,482 0.221,483 5.434,484 0.259,485 0.176,487 0.375,493 0.713,494 1.191,495 0.758,496 0.978,497 0.596,498 0.96,499 0.96,500 0.846,501 0.778,502 0.751,503 0.6,504 0.76,505 1.16,506 0.971,507 0.929,508 0.97,509 0.848,510 0.895,511 1.253,512 1.09,513 1.206,514 1.166,515 1.544,516 1.074,517 1.175,518 1.034,519 1.527,520 1.263,521 1.534,522 1.053,523 0.925,524 1.333,525 1.53,526 1.472,527 1.168,528 1.262,529 0.938,530 0.955,531 0.722,532 0.806,533 1.369,534 0.982,535 0.874,536 1.152,537 0.824,538 1.023,539 0.964,540 1.216,541 4,542 0.025,543 2.889,544 1.819,545 1.137,546 0.633,547 0.459,548 0.285,549 0.198,550 0.091,551 3865,552 9363,553 2.045,554 47.5,556 11,561 8,564 1.636,565 1.881,566 2.991,567 -0.797,569 1,571 1,573 60.68,574 1.517,575 3.309,576 4.325,577 4.615,578 4.665,579 4.665,580 2.453,581 4.011,582 4.365,583 3.101,584 651.138,585 7.497,586 6672.31,587 1,588 1,589 1,590 1,591 212.877,592 1.51,593 4.305,594 0.174,595 0.012,596 0.088,597 0.049,598 0.036,599 0.025,600 0.024,601 0.017,602 0.014,603 0.011,604 0.45,605 0.67,606 1,607 1.292,608 92.837,609 0.012,610 -0.111,611 0.081,612 -0.001,613 -0.048,614 0.01,615 0.037,616 0.227,617 0.179,618 0.228,619 0.053,620 0.196,621 -0.037,622 0.08,623 0.099,624 0.043,625 0.035,626 0.064,627 -0.087,628 -0.084,629 -0.033,630 -0.059,631 -0.101,632 -0.086,633 -0.146,634 -0.027,635 -0.193,636 -0.06,637 -0.171,638 -0.031,639 -0.077,640 -0.306,641 -0.346,642 -0.364,643 -0.066,644 -0.264,645 0.242,646 -0.005,647 -0.02,648 -0.033,649 0.135,650 -0.069,651 -0.065,652 -0.226,653 -0.164,654 -0.229,655 -0.043,656 -0.271,657 1.568,658 5.507,659 0.667,660 14.132,661 0.995,662 1.114,663 3.245,664 10.527,665 0.685,666 3.178,667 3.526,668 3.829,669 4.078,670 4.29,671 4.466,672 4.595,673 4.691,674 4.745,675 4.7,676 4.824,677 0.634,678 301.44,679 3.178,680 4.727,681 5.595,682 6.485,683 7.373,684 8.271,685 9.168,686 10.069,687 10.97,688 11.874,689 2.5,696 1,704 5,708 1,709 5,711 11,719 1,729 1,731 40,733 12,734 1,735 23,737 42,738 17,739 10,740 2,741 4,742 1,746 3,747 6,752 2,755 1,758 2,761 11,762 6,766 1,771 1,775 1,778 1,781 19,782 3,784 4,785 1,790 1,794 0.333,795 2,811 1,812 1,813 1,816 1,817 1,840 1,842 1,844 3,848 21,854 2,856 1,858 1,859 1,865 1,870 5,873 1,875 1,877 11.167,878 8.2,879 4.583,880 2.525,881 2.289,882 1.327,883 0.971,884 4.027,885 9.282,886 3.418,887 4.003,888 4.601,889 5.167,890 5.63,891 5.987,892 6.34,893 6.665,894 6.952,895 7.16,896 1,897 37,898 7.798,900 3.292,901 7.627,902 15.162,904 12.562,905 2.127,906 44.667,907 0.001,909 1,910 223.651,911 130.869,912 3.124,914 36.145,916 31.278,917 99.591,918 259.796,919 3.124,920 26.047,921 10.251,922 47.381,923 29.85,924 22.614,925 2.717,926 254.929,928 223.651,929 102.715,930 36.145,931 31.278,933 129.482,934 130.314,937 27.902,938 74.814,940 31.278,941 223.651,942 39.269,943 130.869,946 223.651,947 57.441,948 76.552,950 36.145,951 223.651,952 39.269,953 130.869,955 0.591,956 0.356,957 0.183,958 0.096,959 17,960 8,961 0.048,962 2,963 2,964 1.286,965 3.204,966 167.439,967 0.286,968 14,969 90.239,970 1,974 14.581,975 5.8,976 2.713,978 39.269,979 10.087,983 1.574,984 5.206,987 393.789,988 29.5,993 12.507,997 0.099,999 39.785,1000 44.574,1001 0.285,1002 0.622,1003 0.813,1004 0.867,1005 0.877,1006 0.877,1007 4.67,1008 0.978,1009 5.602,1010 3.142,1011 4.205,1012 4.687,1013 1.679,1014 6.454,1015 4.102,1016 5.878,1017 0.792,1018 7.195,1019 2.387,1020 3.892,1021 4.527,1022 0.325,1023 7.441,1024 3.748,1025 7.192,1026 0.354,1027 8.891,1028 2.061,1029 5.838,1030 6.856,1031 1.728,1032 10.568,1033 5.639,1034 8.545,1035 -0.072,1036 10.645,1037 0.778,1038 6.347,1039 7.542,1040 0.653,1041 12.368,1042 6.094,1043 9.932,1044 -0.441,1045 12.436,1046 -0.176,1047 7.781,1048 9.348,1049 1.872,1050 15.013,1051 7.483,1052 11.343,1053 -0.899,1054 14.25,1055 -1.143,1056 8.646,1057 10.418,1058 1.001,1059 17.137,1060 8.287,1061 12.772,1062 -1,1063 16.081,1064 -2,1065 9.891,1066 12.012,1067 2.071,1068 19.616,1069 9.49,1070 3.208,1071 -1.171,1072 17.925,1073 -2.175,1074 10.911,1075 13.265,1076 1.37,1077 21.881,1078 10.448,1079 2.927,1080 11.033,1081 19.777,1082 -3.082,1083 12.087,1084 14.769,1085 2.309,1086 24.298,1087 11.578,1088 2.521,1089 9.665,1090 21.637,1091 4.253,1092 13.176,1093 16.112,1094 1.754,1095 26.627,1096 12.606,1097 2.074,1098 7.915,1099 23.503,1100 3.679,1101 14.328,1102 17.576,1103 2.576,1104 29.022,1105 13.709,1106 1.811,1107 6.237,1108 25.373,1109 3.137,1110 15.448,1111 18.965,1112 2.143,1113 31.382,1114 14.77,1115 1.461,1116 4.949,1117 27.247,1118 2.384,1119 16.595,1120 20.413,1121 2.865,1122 33.771,1123 15.864,1124 1.254,1125 3.221,1126 29.124,1127 2.148,1128 17.729,1129 21.826,1130 2.535,1131 36.146,1132 16.941,1133 3859,1134 6123,1135 15.027,1136 27.415,1137 35.361,1138 36.357,1139 36.385,1140 34.809,1141 34.76,1142 44.013,1143 4.706,1144 102.779,1145 32.943,1146 5.423,1147 5.714,1148 6.429,1149 5.304,1150 5.208,1151 7.253,1152 2.293,1153 18.24,1154 5.035,1155 11.038,1156 1.537,1157 1.581,1158 1.582,1159 1.513,1160 1.511,1161 1.914,1162 0.205,1163 4.469,1164 1.432,1165 4.046,1166 4.053,1167 4.288,1168 4.048,1169 7.428,1170 4.002,1171 3.786,1172 3.827,1173 3.776,1174 3.711,1175 4.884,1176 3.693,1177 3.653,1178 3.701,1179 3.576,1180 3.512,1181 4.482,1182 3.506,1183 3.384,1184 3.43,1185 3.304,1186 3.228,1187 4.325,1188 3.207,1189 3.191,1190 3.275,1191 3.067,1192 2.975,1193 4.276,1194 2.967,1195 2.917,1196 3.009,1197 2.794,1198 2.763,1199 3.805,1200 2.747,1201 2.874,1202 2.961,1203 2.735,1204 2.716,1205 3.611,1206 2.707,1207 2.835,1208 2.874,1209 2.599,1210 2.618,1211 3.529,1212 2.57,1213 0.198,1214 0.161,1215 0.293,1216 0.181,1217 0.139,1218 4.552,1219 0.185,1220 3.714,1221 0.052,1222 6.743,1223 0.48,1224 4.155,1225 0.132,1226 3.208,1227 4.253,1228 1.2,1229 11.033,1230 3.035,1231 1.896,1232 1.881,1233 1.985,1234 1.967,1235 1.16,1236 1.976,1237 1.725,1238 1.679,1239 1.942,1240 1.927,1241 1.138,1242 1.933,1243 1.637,1244 1.591,1245 1.837,1246 1.786,1247 1.074,1248 1.805,1249 1.401,1250 1.39,1251 1.599,1252 1.557,1253 0.7,1254 1.582,1255 1.144,1256 1.112,1257 1.417,1258 1.368,1259 0.567,1260 1.405,1261 1.134,1262 1.037,1263 1.417,1264 1.257,1265 0.502,1266 1.308,1267 0.934,1268 0.804,1269 1.21,1270 1.239,1271 0.469,1272 1.294,1273 0.852,1274 0.795,1275 1.124,1276 1.035,1277 0.185,1278 1.07,1279 3.85,1281 5.187,1282 2.398,1283 6.711,1284 4.844,1285 8.317,1286 7.034,1287 9.969,1289 5.911,1295 1.508,1297 5.787,1299 0.204,1300 1.785,1305 25.379,1306 60.68,1307 132.355,1308 173.003,1309 184.612,1310 186.612,1311 186.612,1312 32.202,1313 6.993,1314 29.54,1315 57.78,1316 18,1317 12.394,1318 3.7,1319 2.907,1320 32.037,1321 62,1322 54,1323 0.271,1324 160.013,1325 275.03,1326 382.193,1327 9049,1329 14.983,1330 0.713,1331 0.637,1332 15.336,1333 13.367,1334 10.075,1335 0.438,1336 0.348,1337 7.19,1338 9.331,1339 6.82,1340 5.695,1341 10.484,1342 8.014,1343 9.257,1344 0.281,1345 0.201,1346 9.873,1347 6.622,1348 8.078,1349 0.18,1350 0.113,1351 8.953,1352 5.074,1353 6.325,1354 0.109,1355 0.063,1356 7.315,1357 3.63,1358 4.962,1359 0.069,1360 0.036,1361 5.863,1362 2.561,1363 0.408,1364 66.642,1365 0.258,1366 20.296,1367 0.798,1368 112,1369 303.977,1370 145.795,1371 312.516,1372 431.67,1373 294,1374 134,1375 303.651,1376 168.365,1377 324.222,1378 480.14,1379 305,1380 5.699}
{0 CHEMBL2322500,1 1.706,2 9.407,3 6.323,4 39.983,5 115.587,6 9.785,7 0.71,8 3.874,9 3.95,10 3.763,11 3.639,12 4.997,13 3.566,14 4.367,15 4.463,16 4.224,17 4.062,18 5.464,19 3.966,20 4.594,21 4.727,22 4.312,23 4.196,24 5.629,25 4.076,26 4.605,27 4.725,28 4.458,29 4.255,30 5.636,31 4.086,32 4.558,33 4.693,34 4.22,35 4.147,36 5.609,37 3.998,38 4.517,39 4.693,40 4.1,41 4.013,42 5.577,43 3.857,44 4.461,45 4.653,46 3.891,47 3.909,48 5.462,49 3.751,50 4.284,51 4.453,52 3.781,53 3.759,54 5.298,55 3.63,56 0.031,57 0.511,58 5.153,59 3.323,60 6.861,61 3.823,62 0.117,63 0.877,64 11.574,65 6.26,66 13.138,67 7.053,68 0.184,69 1.122,70 22.427,71 9.414,72 18.865,73 10.022,74 0.195,75 1.151,76 30.986,77 10.818,78 16.21,79 10.506,80 0.195,81 1.135,82 25.505,83 9.839,84 18.516,85 10.05,86 0.196,87 1.14,88 25.62,89 9.177,90 25.489,91 9.735,92 0.244,93 1.061,94 25.767,95 8.958,96 25.703,97 9.841,98 0.135,99 0.877,100 17.575,101 7.129,102 15.175,103 7.574,104 5,105 45,106 0.292,107 0.615,108 0.743,109 0.851,110 0.892,111 0.9,112 3.341,113 1.024,114 -5.98,115 -5.83,116 -5.43,119 50,121 1,125 1,142 9,143 3,144 2,146 1,152 3,162 1,163 1,164 1,165 1,172 10,175 4,177 1,178 1,180 1,183 16,185 1,187 6,195 12,199 5,204 1,207 15,209 1,212 5,217 3,220 11,222 3,224 2,229 4,232 12,234 4,236 1,237 2,242 3,245 9,247 3,250 3,255 1,258 12,260 1,263 1,265 1,266 1,268 2,271 9,273 2,275 1006,276 18.654,277 18.654,278 18.654,279 18.654,280 18.654,281 16.047,282 12.308,283 10.938,284 19.337,285 15.352,286 15.352,287 15.352,288 15.352,289 15.352,290 11.397,291 10.132,292 5.215,293 16.58,294 3.687,295 1.805,296 1.06,297 0.429,298 0.19,299 0.143,300 4.055,301 1,305 1,306 571,307 2.236,310 97.37,311 128.431,312 57.944,315 82.385,316 98.073,318 1.355,319 17.772,322 0.75,323 0.83,324 1,325 0.4,326 0.5,327 1,328 1,329 0.78,330 56.333,331 254,332 4.623,333 3.348,334 6.837,335 4.199,336 3.265,337 4.367,338 0.86,339 11.382,340 3.05,341 4.449,342 3.245,343 6.683,344 4.042,345 3.095,346 4.128,348 10.814,349 2.917,350 4.065,351 2.922,352 6.073,353 3.619,354 2.681,355 3.665,357 8.713,358 2.506,359 3.87,360 2.697,361 5.739,362 3.387,363 2.461,364 3.434,366 7.689,367 2.278,368 3.378,369 2.193,370 5.15,371 2.934,372 2.05,373 2.652,375 6.086,376 1.771,377 3.087,378 2.153,379 4.756,380 2.734,381 1.812,382 2.301,384 4.957,385 1.656,386 3.021,387 1.96,388 4.721,389 2.64,390 1.717,391 2.148,393 4.867,394 1.576,395 2.906,396 1.564,397 4.123,398 2.443,399 1.46,400 2.079,402 3.24,403 1.429,404 2.859,405 1.523,406 3.861,407 2.349,408 1.414,409 2.011,411 3.164,412 1.245,413 2.577,414 1.232,415 3.741,416 2.103,417 1.152,418 1.609,420 2.965,421 1.083,422 2.393,423 1.106,424 3.594,425 1.922,426 0.969,427 1.348,428 2.443,429 0.911,430 2.235,431 0.882,432 3.566,433 1.678,434 0.803,435 1.108,436 2.137,437 0.683,438 2.126,439 0.757,440 3.355,441 1.618,442 0.748,443 1.041,445 2.06,446 0.637,447 1.163,448 0.317,449 2.695,450 0.875,451 -0.055,452 -0.064,454 -0.136,455 -0.05,456 1.107,457 0.179,458 2.621,459 0.62,460 -0.195,461 -0.241,463 -0.438,464 -0.13,465 14.014,466 0.519,467 0.64,468 0.024,469 38,470 1.407,471 21,472 0.778,473 17,474 0.63,475 23.468,476 0.869,477 26.186,478 0.623,479 24.675,480 0.914,481 7.029,482 0.26,483 6.175,484 0.229,485 0.08,487 0.357,493 0.804,494 0.805,495 0.614,496 0.664,497 0.937,498 0.669,499 0.88,500 0.9,501 0.706,502 0.812,503 0.693,504 0.78,505 1.168,506 0.912,507 0.964,508 0.919,509 0.88,510 0.842,511 1.021,512 1.079,513 1.122,514 1.132,515 0.882,516 1.028,517 0.89,518 1.211,519 1.256,520 1.271,521 0.85,522 1.104,523 0.743,524 1.197,525 0.973,526 1.101,527 0.941,528 1.088,529 0.992,530 0.964,531 1.177,532 1.03,533 1.177,534 1.022,535 0.929,536 1.135,537 0.985,538 1.128,539 1.111,540 1.08,541 4.5,542 0.07,543 3.111,544 2.292,545 1.654,546 0.945,547 0.469,548 0.432,549 0.255,550 0.15,551 8650,552 25131,553 2.208,554 35.7,556 11,559 2,561 2,564 1.705,565 2.104,566 3.219,567 0.231,573 71.635,574 1.706,575 3.587,576 4.332,577 4.964,578 5.202,579 5.249,580 2.63,581 4.533,582 4.73,583 3.341,584 1172.6,585 8.234,586 14368.2,591 226.477,592 1.28,593 4.703,594 0.145,595 0.005,596 0.069,597 0.048,598 0.036,599 0.023,600 0.013,601 0.014,602 0.009,603 0.007,604 0.368,605 0.5,606 0.75,607 0.454,608 130.799,609 -0.072,610 0.119,611 0.027,612 0.099,613 -0.172,614 0.081,615 0.03,616 0.027,617 0.081,618 0.065,619 0.039,620 0.049,621 -0.098,622 0.041,624 0.065,625 -0.027,626 0.083,627 -0.047,628 -0.098,629 0.044,630 -0.019,631 -0.048,632 -0.081,633 -0.036,634 -0.2,635 -0.171,636 -0.203,637 0.023,638 -0.159,639 0.023,640 -0.132,641 -0.011,642 -0.109,643 0.058,644 -0.121,645 -0.042,646 0.073,647 -0.122,648 -0.027,649 -0.093,650 -0.009,651 -0.034,652 -0.121,653 -0.09,654 -0.167,655 -0.098,656 -0.122,657 1.118,658 2.403,659 0.926,660 20.546,661 1.005,662 1.093,663 4.751,664 22.57,665 0.785,666 3.466,667 3.829,668 4.174,669 4.522,670 4.771,671 4.934,672 5.1,673 5.288,674 5.451,675 5.517,676 5.657,677 0.73,678 410.97,679 3.466,680 5.03,681 5.916,682 6.825,683 7.731,684 8.646,685 9.559,686 10.477,687 11.393,688 12.313,689 4.8,693 1,699 1,704 9,705 1,708 2,709 10,711 22,722 1,729 1,730 1,731 42,733 22,734 2,735 31,737 46,738 21,739 19,740 4,741 8,746 5,747 8,748 1,755 1,758 1,761 19,762 2,781 15,782 3,783 2,784 6,785 3,790 2,794 0.6,795 1,811 2,812 2,813 1,816 1,817 1,840 3,842 2,845 1,848 27,849 1,854 2,856 1,863 1,865 1,869 1,870 2.4,875 1,877 12.833,878 7.676,879 5.778,880 2.49,881 4.323,882 1.527,883 1.074,884 4.503,885 12.527,886 3.761,887 4.425,888 5.083,889 5.741,890 6.249,891 6.638,892 7.104,893 7.57,894 7.993,895 8.33,896 1,897 48,898 9.951,900 4.348,901 7.572,902 19.325,904 16.588,905 2.072,906 55.944,910 153.024,911 180.602,912 49.683,913 39.149,914 11,916 62.555,917 118.047,918 203.173,919 49.683,921 7.127,922 118.183,923 16.786,924 32.558,925 4.075,926 215.58,927 39.149,928 153.024,929 167.729,930 11,931 101.704,933 129.482,934 34.542,937 10.384,938 140.559,939 55.934,940 62.555,941 153.024,942 60.683,943 219.751,946 153.024,947 95.316,948 85.286,950 99.831,951 153.024,952 60.683,953 219.751,955 0.587,956 0.355,957 0.209,958 0.116,959 25,960 10,961 0.043,962 2,963 2,964 1.16,965 3.829,966 254.811,967 0.16,968 25,969 128.382,970 2,974 17.352,975 7.006,976 3.097,978 60.683,979 18.248,980 4.638,983 3.214,984 9.867,986 32.897,987 433.458,988 42,999 42.193,1000 45.896,1001 0.316,1002 0.665,1003 0.803,1004 0.921,1005 0.965,1006 0.974,1007 5.007,1008 1.46,1009 5.911,1010 4.867,1011 4.511,1012 5.112,1013 0.908,1014 6.777,1015 4.362,1016 6.235,1017 1.414,1018 7.496,1019 3.24,1020 4.111,1021 4.913,1023 7.758,1024 3.863,1025 7.559,1026 1.152,1027 9.185,1028 3.164,1029 6.146,1030 7.36,1031 0.739,1032 10.923,1033 5.877,1034 8.923,1035 0.969,1036 10.935,1037 2.965,1038 6.608,1039 8.028,1041 12.764,1042 6.235,1043 10.321,1044 0.803,1045 12.726,1046 2.443,1047 8.095,1048 9.901,1049 0.593,1050 15.431,1051 7.705,1052 11.744,1053 0.748,1054 14.545,1055 2.137,1056 8.945,1057 10.971,1059 17.607,1060 8.458,1061 13.186,1062 -0.055,1063 16.383,1064 2.06,1065 10.222,1066 12.603,1067 0.469,1068 20.109,1069 9.705,1070 3.265,1071 -0.195,1072 18.236,1073 -0.136,1074 11.246,1075 13.867,1077 22.421,1078 10.642,1079 3.095,1080 11.382,1081 20.1,1082 -0.438,1083 12.444,1084 15.394,1085 0.366,1086 24.864,1087 11.796,1088 2.681,1089 10.814,1090 21.972,1091 4.367,1092 13.544,1093 16.751,1095 27.233,1096 12.818,1097 2.461,1098 8.713,1099 23.851,1100 4.128,1101 14.715,1102 18.233,1103 0.283,1104 29.656,1105 13.935,1106 2.05,1107 7.689,1108 25.735,1109 3.665,1110 15.849,1111 19.638,1113 32.051,1114 14.996,1115 1.812,1116 6.086,1117 27.624,1118 3.434,1119 17.012,1120 21.101,1121 0.217,1122 34.468,1123 16.1,1124 1.717,1125 4.957,1126 29.516,1127 2.652,1128 18.162,1129 22.53,1131 36.874,1132 17.18,1133 7965,1134 13733,1135 21.383,1136 32.949,1137 47.954,1138 47.936,1139 48.914,1140 47.429,1141 47.251,1142 63.784,1143 1.72,1144 141.03,1145 43.486,1146 5.493,1147 5.348,1148 6.523,1149 5.371,1150 5.265,1151 7.367,1152 1.72,1153 18.798,1154 5.05,1155 9.258,1156 1.547,1157 1.546,1158 1.578,1159 1.53,1160 1.524,1161 2.058,1162 0.055,1163 4.549,1164 1.403,1165 4.077,1166 4.083,1167 4.361,1168 4.094,1169 5.161,1170 4.042,1171 3.936,1172 3.95,1173 4.163,1174 3.917,1175 4.927,1176 3.888,1177 3.754,1178 3.777,1179 3.911,1180 3.72,1181 4.879,1182 3.694,1183 3.6,1184 3.634,1185 3.752,1186 3.578,1187 4.575,1188 3.518,1189 3.323,1190 3.361,1191 3.301,1192 3.194,1193 4.356,1194 3.153,1195 2.943,1196 3.032,1197 3.29,1198 2.81,1199 4.33,1200 2.787,1201 2.878,1202 2.922,1203 2.814,1204 2.768,1205 4.249,1206 2.754,1207 2.84,1208 2.894,1209 2.794,1210 2.736,1211 3.631,1212 2.727,1213 0.149,1214 0.108,1215 0.221,1216 0.135,1217 0.105,1218 4.623,1219 0.141,1220 3.348,1221 0.028,1222 6.837,1223 0.367,1224 4.199,1225 0.098,1226 3.265,1227 4.367,1228 0.86,1229 11.382,1230 3.05,1231 1.907,1232 1.894,1233 1.985,1234 1.967,1235 1.16,1236 1.978,1237 1.895,1238 1.88,1239 1.977,1240 1.955,1241 1.119,1242 1.973,1243 1.663,1244 1.63,1245 1.84,1246 1.794,1247 1.072,1248 1.811,1249 1.48,1250 1.475,1251 1.509,1252 1.603,1253 0.751,1254 1.595,1255 1.293,1256 1.276,1257 1.338,1258 1.441,1259 0.509,1260 1.48,1261 1.143,1262 1.113,1263 1.265,1264 1.284,1265 0.416,1266 1.307,1267 0.988,1268 0.954,1269 1.145,1270 1.071,1271 0.19,1272 1.124,1273 0.868,1274 0.824,1275 1.116,1276 1.027,1277 0.175,1278 1.066,1279 4.143,1281 5.493,1282 3.045,1283 7.031,1284 5.476,1285 8.656,1286 7.627,1287 10.33,1290 6.442,1293 6.077,1295 1.554,1297 5.903,1305 30.647,1306 71.635,1307 150.664,1308 181.948,1309 208.477,1310 218.477,1311 220.477,1312 33.477,1313 8.204,1314 48.14,1315 104.62,1316 29,1317 12.823,1318 4.524,1319 3.585,1320 35.574,1321 92,1322 82,1323 0.192,1324 194.148,1325 323.08,1326 465.482,1327 44063,1328 2.4,1329 18.38,1330 0.681,1331 0.616,1332 19.587,1333 16.627,1334 13.204,1335 0.426,1336 0.341,1337 8.685,1338 11.784,1339 8.322,1340 6.815,1341 14.309,1342 10.581,1343 12.125,1344 0.269,1345 0.195,1346 13.813,1347 8.759,1348 10.686,1349 0.167,1350 0.11,1351 12.608,1352 7.03,1353 9.599,1354 0.105,1355 0.064,1356 11.835,1357 5.815,1358 7.987,1359 0.068,1360 0.036,1361 10.02,1362 4.166,1363 0.293,1364 92.167,1365 0.216,1366 25.287,1367 0.557,1368 152,1369 400.617,1370 226.557,1371 467.475,1372 648.58,1373 440,1374 185,1375 437.465,1376 250.686,1377 487.386,1378 728.17,1379 462,1380 7.638}
{0 CHEMBL2322501,1 1.776,2 9.633,3 4.9,4 24.008,5 117.242,6 9.297,7 0.647,8 3.989,9 4.081,10 3.786,11 3.64,12 5.145,13 3.612,14 4.493,15 4.618,16 4.214,17 4.048,18 5.66,19 3.997,20 4.72,21 4.87,22 4.334,23 4.172,24 5.849,25 4.109,26 4.718,27 4.866,28 4.398,29 4.204,30 5.856,31 4.114,32 4.715,33 4.875,34 4.263,35 4.171,36 5.819,37 4.081,38 4.659,39 4.835,40 4.221,41 4.115,42 5.708,43 4.001,44 4.642,45 4.815,46 4.174,47 4.061,48 5.773,49 3.978,50 4.642,51 4.805,52 4.093,53 4.006,54 5.862,55 3.936,56 0.074,57 0.678,58 6.337,59 3.903,60 7.063,61 4.237,62 0.268,63 1.124,64 13.756,65 7.149,66 21.398,67 7.902,68 0.461,69 1.383,70 23.699,71 9.19,72 43.951,73 9.392,74 0.395,75 1.411,76 26.004,77 10.029,78 34.178,79 10.734,80 0.438,81 1.433,82 28.428,83 9.72,84 37.07,85 9.633,86 0.296,87 1.329,88 26.17,89 9.735,90 24.413,91 10.841,92 0.353,93 1.263,94 24.614,95 9.22,96 29.251,97 10.324,98 0.421,99 1.238,100 22.834,101 8.921,102 44.587,103 9.582,104 12,105 49,106 0.297,107 0.675,108 0.821,109 0.891,110 0.898,111 0.898,112 3.442,113 0.938,114 -4.57,115 -4.49,116 -4.23,119 46.8,120 1,121 1,125 1,142 7,143 2,144 2,145 1,146 2,152 3,158 1,162 1,172 7,175 4,178 3,179 1,180 2,183 9,186 1,187 8,192 1,195 5,198 1,199 7,202 1,204 7,207 6,212 4,217 5,220 7,223 1,224 2,229 5,232 10,236 1,237 5,240 1,242 2,245 9,250 7,253 2,255 1,258 9,263 6,266 1,268 2,271 5,275 1464,276 20.516,277 20.516,278 20.516,279 20.516,280 20.516,281 17.754,282 15.985,283 12.095,284 21.102,285 16.852,286 16.852,287 16.852,288 16.852,289 16.852,290 12.62,291 17.391,292 5.787,293 17.915,294 3.779,295 1.517,296 0.647,297 0.229,298 0.186,299 0.186,300 4.152,301 1,304 1,305 1,306 638,307 3,310 115.63,311 151.897,312 68.599,315 97.62,316 115.982,318 1.416,319 27.189,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 64.333,331 289,332 4.627,333 3.538,334 6.84,335 4.213,336 3.269,337 4.37,338 1.907,339 11.399,340 3.084,341 4.452,342 3.343,343 6.684,344 4.05,345 3.1,346 4.131,347 0.86,348 10.821,349 2.937,350 4.07,351 3.243,352 6.075,353 3.622,354 2.687,355 3.668,356 0.149,357 8.721,358 2.497,359 3.907,360 2.921,361 5.75,362 3.47,363 2.531,364 3.455,366 7.787,367 2.378,368 3.606,369 2.7,370 5.38,371 3.251,372 2.277,373 2.854,375 6.905,376 2.204,377 3.279,378 2.228,379 4.96,380 2.851,381 1.89,382 2.494,384 5.348,385 1.791,386 3.067,387 2.169,388 4.723,389 2.721,390 1.81,391 2.259,393 4.945,394 1.636,395 3.021,396 1.971,397 4.397,398 2.628,399 1.67,400 2.148,402 4.373,403 1.587,404 2.906,405 1.571,406 4.116,407 2.421,408 1.46,409 2.079,411 3.243,412 1.396,413 2.859,414 1.523,415 3.861,416 2.349,417 1.414,418 2.01,420 3.165,421 1.247,422 2.578,423 1.242,424 3.741,425 2.096,426 1.149,427 1.606,428 2.967,429 1.078,430 2.394,431 1.127,432 3.594,433 1.918,434 0.969,435 1.349,436 2.448,437 0.913,438 2.235,439 0.887,440 3.566,441 1.676,442 0.803,443 1.108,445 2.137,446 0.688,447 2.126,448 0.759,449 3.355,450 1.666,451 0.748,452 1.041,454 2.06,455 0.677,456 1.163,457 0.57,458 2.695,459 0.867,460 -0.054,461 -0.063,463 -0.134,464 -0.049,465 14.814,466 0.494,467 0.747,468 0.025,469 42.5,470 1.417,471 22.5,472 0.75,473 20,474 0.667,475 25.577,476 0.853,477 30.186,478 0.642,479 30.855,480 1.029,481 8.173,482 0.272,483 6.425,484 0.214,485 0.104,487 0.371,493 0.77,494 1.1,495 0.597,496 0.797,497 0.606,498 0.755,499 0.775,500 0.941,501 0.68,502 0.814,503 0.591,504 0.808,505 1.287,506 0.994,507 0.967,508 0.868,509 1.206,510 0.833,511 0.765,512 1.227,513 1.101,514 1.179,515 0.566,516 1.009,517 1.145,518 1.046,519 1.349,520 1.135,521 0.956,522 0.998,523 0.625,524 1.128,525 0.925,526 1.111,527 0.593,528 1.074,529 0.866,530 1.026,531 1.043,532 1.049,533 0.899,534 0.976,535 1.021,536 1.099,537 1.053,538 1.154,539 1.235,540 1.112,541 5.5,542 0.149,543 3.111,544 2.542,545 1.779,546 1.105,547 0.632,548 0.613,549 0.396,550 0.231,551 11157,552 34091,553 2.165,554 36.2,556 9,558 1,559 2,560 3,561 2,564 1.736,565 2.045,566 3.258,567 0.243,573 83.471,574 1.776,575 4.038,576 4.908,577 5.326,578 5.368,579 5.368,580 2.656,581 4.774,582 4.879,583 3.42,584 1487.6,585 8.551,586 19984,588 1,591 261.066,592 1.347,593 4.848,594 0.162,595 0.006,596 0.063,597 0.049,598 0.034,599 0.023,600 0.015,601 0.014,602 0.01,603 0.007,604 0.383,605 0.33,606 0.88,607 0.823,608 150.863,609 -0.076,610 -0.056,611 0.028,612 0.033,613 -0.07,614 0.04,615 0.087,616 0.089,617 0.087,618 0.094,619 0.073,620 0.055,621 -0.174,622 0.039,623 -0.009,624 0.114,625 -0.175,626 0.073,627 0.096,628 -0.174,629 0.012,630 -0.1,631 0.108,632 -0.064,633 -0.221,634 0.056,635 -0.225,636 -0.065,637 -0.152,638 -0.071,639 0.045,640 -0.095,641 0.05,642 -0.078,643 0.023,644 -0.094,645 0.021,646 -0.023,647 -0.018,648 -0.058,649 0.03,650 -0.009,651 0.027,652 -0.109,653 -0.127,654 -0.21,655 0.049,656 -0.179,657 1.863,658 4.592,659 0.833,660 26.533,661 1.014,662 1.11,663 3.338,664 11.141,665 0.74,666 3.555,667 3.912,668 4.234,669 4.585,670 4.836,671 5.043,672 5.242,673 5.425,674 5.598,675 5.694,676 6.075,677 0.707,678 436.95,679 3.555,680 5.118,681 5.994,682 6.901,683 7.799,684 8.715,685 9.624,686 10.544,687 11.459,688 12.381,689 8.5,696 1,697 1,699 2,704 8,705 2,706 1,708 1,709 10,711 22,729 1,730 1,731 47,733 23,734 1,735 34,737 51,738 22,739 18,740 2,741 4,746 5,747 8,748 1,752 1,755 1,758 1,761 19,762 3,766 1,771 1,775 1,781 17,782 5,783 2,784 8,785 2,787 1,790 4,794 0.6,795 2,805 1,811 2,812 2,813 1,816 1,817 1,826 1,840 3,842 1,844 1,845 1,848 30,854 2,855 1,856 1,865 1,869 1,870 4.3,873 1,875 1,877 14.667,878 8.96,879 6.444,880 2.787,881 4.237,882 1.507,883 1.046,884 5.15,885 12.591,886 3.85,887 4.494,888 5.119,889 5.783,890 6.295,891 6.718,892 7.209,893 7.671,894 8.111,895 8.475,896 1,897 52,898 11.056,900 4.804,901 7.726,902 21.081,904 17.664,905 2.226,906 66.778,909 1,910 176.567,911 155.317,912 68.367,913 39.149,914 36.145,916 31.278,917 124.039,918 251.86,919 68.367,920 8.825,921 25.138,922 66.334,923 75.192,924 59.361,925 5.474,926 196.073,927 39.149,928 176.567,929 192.407,930 36.145,931 70.426,933 153.024,934 59.687,937 67.208,938 91.627,939 72.72,940 31.278,941 176.567,942 104.512,943 194.466,946 176.567,947 71.111,948 84.206,949 34.796,950 108.865,951 176.567,952 104.512,953 194.466,955 0.584,956 0.34,957 0.2,958 0.111,959 26,960 11,961 0.059,962 3,963 2,964 1.16,965 4.041,966 291.407,967 0.16,968 25,969 147.207,970 1,974 19.432,975 7.95,976 3.703,978 87.727,979 15.283,980 9.22,981 3.219,983 1.611,984 8.17,986 34.796,987 475.544,988 46,993 11.592,997 -0.196,999 47.647,1000 52.182,1001 0.32,1002 0.727,1003 0.884,1004 0.959,1005 0.966,1006 0.966,1007 5.097,1008 1.67,1009 5.989,1010 4.945,1011 4.595,1012 5.182,1013 2.143,1014 6.845,1015 4.472,1016 6.321,1017 1.46,1018 7.568,1019 4.373,1020 4.205,1021 4.997,1022 1.593,1023 7.811,1024 4.019,1025 7.642,1026 1.414,1027 9.249,1028 3.243,1029 6.221,1030 7.407,1031 2.962,1032 10.968,1033 5.989,1034 9,1035 1.149,1036 10.992,1037 3.165,1038 6.673,1039 8.074,1040 3.032,1041 12.794,1042 6.37,1043 10.392,1044 0.969,1045 12.776,1046 2.967,1047 8.154,1048 9.931,1049 4.052,1050 15.459,1051 7.812,1052 11.808,1053 0.803,1054 14.588,1055 2.448,1056 8.994,1057 10.998,1058 4.409,1059 17.627,1060 8.578,1061 13.243,1062 0.748,1063 16.421,1064 2.137,1065 10.268,1066 12.624,1067 5.254,1068 20.128,1069 9.811,1070 3.269,1071 -0.054,1072 18.268,1073 2.06,1074 11.284,1075 13.885,1076 5.75,1077 22.437,1078 10.758,1079 3.1,1080 11.399,1081 20.128,1082 -0.134,1083 12.48,1084 15.41,1085 6.502,1086 24.88,1087 11.908,1088 2.687,1089 10.821,1090 21.996,1091 4.37,1092 13.576,1093 16.766,1094 7.068,1095 27.249,1096 12.939,1097 2.531,1098 8.721,1099 23.872,1100 4.131,1101 14.745,1102 18.247,1103 7.771,1104 29.673,1105 14.057,1106 2.277,1107 7.787,1108 25.754,1109 3.668,1110 15.877,1111 19.651,1112 8.374,1113 32.068,1114 15.128,1115 1.89,1116 6.905,1117 27.64,1118 3.455,1119 17.039,1120 21.115,1121 9.051,1122 34.486,1123 16.237,1124 1.81,1125 5.348,1126 29.531,1127 2.854,1128 18.189,1129 22.543,1130 9.674,1131 36.893,1132 17.328,1133 10431,1134 18380,1135 23.175,1136 34.767,1137 52.371,1138 52.829,1139 53.382,1140 51.679,1141 51.554,1142 69.143,1143 5.832,1144 152.636,1145 48.227,1146 5.496,1147 5.538,1148 6.526,1149 5.372,1150 5.269,1151 7.37,1152 3.306,1153 18.815,1154 5.084,1155 12.487,1156 1.54,1157 1.554,1158 1.57,1159 1.52,1160 1.516,1161 2.034,1162 0.172,1163 4.489,1164 1.418,1165 4.094,1166 4.119,1167 4.303,1168 4.063,1169 7.43,1170 4.028,1171 3.945,1172 3.97,1173 4.034,1174 3.878,1175 5.045,1176 3.87,1177 3.769,1178 3.806,1179 3.794,1180 3.666,1181 4.95,1182 3.666,1183 3.656,1184 3.693,1185 3.699,1186 3.516,1187 4.834,1188 3.529,1189 3.481,1190 3.531,1191 3.393,1192 3.273,1193 4.476,1194 3.288,1195 3.311,1196 3.353,1197 3.294,1198 3.158,1199 4.376,1200 3.13,1201 2.882,1202 2.923,1203 3.28,1204 2.805,1205 4.336,1206 2.777,1207 2.847,1208 2.92,1209 2.786,1210 2.732,1211 3.897,1212 2.724,1213 0.136,1214 0.104,1215 0.201,1216 0.124,1217 0.096,1218 4.627,1219 0.129,1220 3.538,1221 0.056,1222 6.84,1223 0.335,1224 4.213,1225 0.091,1226 3.269,1227 4.37,1228 1.907,1229 11.399,1230 3.084,1231 1.912,1232 1.893,1233 1.99,1234 1.984,1235 1.144,1236 1.993,1237 1.829,1238 1.807,1239 1.906,1240 1.949,1241 1.111,1242 1.94,1243 1.663,1244 1.63,1245 1.84,1246 1.827,1247 0.973,1248 1.812,1249 1.538,1250 1.486,1251 1.74,1252 1.79,1253 0.751,1254 1.791,1255 1.484,1256 1.467,1257 1.532,1258 1.58,1259 0.738,1260 1.588,1261 1.248,1262 1.181,1263 1.433,1264 1.51,1265 0.508,1266 1.508,1267 1.142,1268 1.108,1269 1.277,1270 1.291,1271 0.464,1272 1.308,1273 0.956,1274 0.915,1275 1.122,1276 1.077,1277 0.213,1278 1.12,1279 4.234,1281 5.58,1282 3.045,1283 7.107,1284 5.476,1285 8.723,1286 7.636,1287 10.39,1289 1.452,1290 6.465,1295 1.379,1296 2.736,1297 5.849,1305 33.217,1306 83.471,1307 189.763,1308 230.659,1309 250.311,1310 252.311,1311 252.311,1312 43.022,1313 8.353,1314 79.9,1315 108.14,1316 29,1317 12.889,1318 4.585,1319 3.7,1320 41.262,1321 107,1322 101,1323 0.187,1324 207.267,1325 350.02,1326 497.492,1327 51274,1328 2.1,1329 20.665,1330 0.689,1331 0.587,1332 21.518,1333 17.603,1334 14.597,1335 0.429,1336 0.313,1337 9.426,1338 13.403,1339 9.108,1340 7.486,1341 15.294,1342 10.631,1343 13.515,1344 0.276,1345 0.17,1346 14.502,1347 8.343,1348 11.353,1349 0.167,1350 0.093,1351 12.551,1352 6.319,1353 10.299,1354 0.106,1355 0.051,1356 11.606,1357 4.954,1358 8.384,1359 0.067,1360 0.028,1361 9.587,1362 3.482,1363 0.284,1364 98.007,1365 0.208,1366 27.666,1367 0.541,1368 166,1369 492.491,1370 220.948,1371 528.465,1372 724.96,1373 496,1374 200,1375 506.485,1376 250.713,1377 536.915,1378 796.35,1379 508,1380 7.444}
{0 CHEMBL2322502,1 1.784,2 9.407,3 5.142,4 26.444,5 106.438,6 9.656,7 0.548,8 3.869,9 3.951,10 3.706,11 3.544,12 5.027,13 3.514,14 4.375,15 4.482,16 4.141,17 3.969,18 5.537,19 3.915,20 4.614,21 4.752,22 4.289,23 4.101,24 5.758,25 4.036,26 4.614,27 4.745,28 4.314,29 4.134,30 5.73,31 4.037,32 4.607,33 4.748,34 4.238,35 4.054,36 5.845,37 3.965,38 4.515,39 4.705,40 3.981,41 3.867,42 5.617,43 3.76,44 4.35,45 4.548,46 3.761,47 3.691,48 5.419,49 3.612,50 4.242,51 4.411,52 3.659,53 3.595,54 5.392,55 3.545,56 0.085,57 0.573,58 4.775,59 3.32,60 6.531,61 3.534,62 0.277,63 0.959,64 10.273,65 6.024,66 16.999,67 6.396,68 0.389,69 1.185,70 20.626,71 8.627,72 32.436,73 9.012,74 0.31,75 1.227,76 23.38,77 9.388,78 22.206,79 9.143,80 0.45,81 1.2,82 25.342,83 9.432,84 42.087,85 9.006,86 0.347,87 1.124,88 24.258,89 8.37,90 36.392,91 8.658,92 0.37,93 0.969,94 18.515,95 6.6,96 28.51,97 7.13,98 0.277,99 0.813,100 12.595,101 5.488,102 26.158,103 5.877,104 5,105 45,106 0.308,107 0.642,108 0.754,109 0.874,110 0.908,111 0.908,112 3.341,113 0.938,114 -5.79,115 -5.65,116 -5.27,119 48.8,121 1,125 1,142 9,143 2,144 3,152 2,158 1,159 1,168 1,172 9,174 2,175 4,178 2,183 12,186 1,187 10,195 10,199 8,204 3,207 8,212 12,217 4,220 8,224 5,229 3,232 8,236 2,237 6,242 1,245 7,250 3,253 1,255 2,258 8,262 1,263 3,268 1,271 7,275 992,276 18.706,277 18.706,278 18.706,279 18.706,280 18.706,281 16.317,282 18.104,283 10.935,284 19.249,285 15.325,286 15.325,287 15.325,288 15.325,289 15.325,290 11.678,291 19.865,292 5.173,293 16.291,294 3.573,295 1.636,296 0.989,297 0.293,298 0.098,299 0.098,300 4.055,301 1,304 1,305 1,306 571,307 2.236,310 97.37,311 127.317,312 57.944,315 82.385,316 98.073,318 1.355,319 22.977,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 57.833,331 254,332 4.597,333 3.838,334 6.962,335 4.226,336 3.294,337 4.269,338 1.685,339 11.78,340 3.066,341 4.427,342 3.304,343 6.708,344 4.07,345 3.12,346 3.949,347 0.86,348 10.912,349 2.955,350 4.067,351 3.12,352 6.069,353 3.61,354 2.673,355 3.653,356 0.761,357 8.706,358 2.496,359 3.84,360 2.943,361 5.75,362 3.403,363 2.455,364 3.265,365 0.087,366 7.672,367 2.304,368 3.436,369 2.649,370 5.4,371 3.039,372 2.071,373 2.652,375 6.456,376 1.984,377 3.022,378 2.175,379 4.728,380 2.734,381 1.811,382 2.15,384 4.951,385 1.656,386 2.914,387 2.012,388 4.424,389 2.47,390 1.5,391 2.087,393 4.004,394 1.455,395 2.897,396 1.628,397 4.195,398 2.444,399 1.461,400 2.056,402 3.408,403 1.431,404 2.841,405 1.531,406 3.857,407 2.343,408 1.414,409 1.959,411 3.173,412 1.235,413 2.738,414 1.51,415 3.688,416 2.156,417 1.213,418 1.726,420 2.994,421 1.129,422 2.377,423 1.184,424 3.596,425 1.915,426 0.958,427 1.309,428 2.379,429 0.907,430 2.128,431 0.963,432 3.551,433 1.773,434 0.818,435 1.042,436 2.093,437 0.775,438 2.018,439 0.864,440 3.356,441 1.677,442 0.787,443 0.94,445 2.061,446 0.682,447 1.25,448 0.644,449 2.713,450 0.916,451 -0.022,452 -0.026,454 -0.053,455 -0.02,456 1.137,457 0.307,458 2.633,459 0.768,460 -0.136,461 -0.165,463 -0.316,464 -0.105,465 13.414,466 0.497,467 0.624,468 0.023,469 37.75,470 1.398,471 20,472 0.741,473 17.75,474 0.657,475 21.988,476 0.814,477 26.786,478 0.653,479 26.307,480 0.974,481 7.312,482 0.271,483 5.908,484 0.219,485 0.078,487 0.365,493 0.685,494 0.971,495 0.571,496 0.757,497 0.548,498 0.726,499 0.742,500 0.91,501 0.696,502 0.798,503 0.604,504 0.824,505 1.002,506 1.011,507 0.883,508 0.953,509 0.845,510 0.863,511 1.012,512 1.199,513 1.238,514 1.245,515 0.78,516 1.044,517 0.94,518 1.215,519 1.263,520 1.35,521 1.01,522 1.132,523 1.053,524 1.127,525 0.945,526 1.007,527 1.289,528 1.043,529 0.954,530 0.919,531 0.977,532 0.856,533 0.941,534 0.891,535 1.147,536 0.967,537 0.795,538 0.868,539 1.352,540 0.974,541 4,542 0.07,543 3.333,544 2.319,545 1.769,546 0.806,547 0.472,548 0.404,549 0.255,550 0.15,551 8618,552 26136,553 2.208,554 34.1,556 11,559 1,561 2,564 1.705,565 2.104,566 3.215,567 -0.309,573 73.163,574 1.784,575 3.722,576 4.369,577 5.065,578 5.26,579 5.26,580 2.63,581 4.533,582 4.731,583 3.337,584 1171.16,585 8.233,586 14309.1,591 219.66,592 1.28,593 4.703,594 0.129,595 0.005,596 0.074,597 0.047,598 0.038,599 0.019,600 0.014,601 0.013,602 0.009,603 0.007,604 0.355,605 0.33,606 0.75,607 0.454,608 130.7,609 -0.005,610 0.04,611 0.031,612 0.037,613 -0.039,614 0.034,615 0.109,616 0.105,617 0.038,618 0.077,619 0.024,620 -0.001,621 0.001,622 -0.031,623 0.064,624 0.035,625 0.028,626 0.068,627 -0.106,628 -0.171,629 -0.088,630 -0.13,631 -0.025,632 -0.098,633 0.046,634 -0.184,635 -0.123,636 -0.257,637 0.115,638 -0.18,639 -0.134,640 -0.09,641 0.024,642 -0.006,643 -0.128,644 -0.042,645 -0.021,646 0.155,647 -0.042,648 0.085,649 -0.057,650 0.089,651 -0.092,652 0.019,653 -0.054,654 -0.028,655 -0.112,656 -0.05,657 1.981,658 5.433,659 0.926,660 20.121,661 1.016,662 1.104,663 4.561,664 20.799,665 0.756,666 3.466,667 3.829,668 4.19,669 4.533,670 4.771,671 4.92,672 5.094,673 5.293,674 5.447,675 5.513,676 5.639,677 0.724,678 395.89,679 3.466,680 5.03,681 5.922,682 6.832,683 7.741,684 8.658,685 9.574,686 10.493,687 11.412,688 12.333,689 7.3,696 2,698 1,704 9,708 1,709 7,711 17,729 1,730 1,731 41,733 19,734 2,735 31,737 45,738 20,739 16,740 4,741 8,742 1,746 5,747 8,748 1,751 1,755 1,758 1,761 18,762 2,766 2,771 1,774 1,775 2,781 14,782 5,783 1,784 7,785 2,790 3,791 1,794 0.6,795 2,811 2,812 2,813 1,816 1,817 1,840 3,842 1,845 1,848 27,854 2,855 1,856 1,859 1,865 1,869 1,870 4.9,873 1,875 1,877 12.833,878 7.543,879 5.806,880 2.452,881 3.59,882 1.438,883 1.058,884 4.232,885 11.795,886 3.75,887 4.373,888 4.993,889 5.614,890 6.107,891 6.42,892 6.837,893 7.267,894 7.635,895 7.937,896 1,897 49,898 9.966,900 4.399,901 7.72,902 19.029,904 16.2,905 2.22,906 59.944,909 1,910 153.024,911 150.883,912 37.676,913 39.149,914 36.145,916 31.278,917 119.606,918 228.318,919 37.676,921 28.139,922 85.286,923 27.473,924 45.535,925 6.993,926 184.302,927 39.149,928 153.024,929 157.281,930 36.145,931 70.426,933 129.482,934 59.687,937 44.802,938 112.479,939 39.149,940 31.278,941 153.024,942 73.82,943 190.032,946 153.024,947 65.597,948 88.411,949 17.888,950 91.956,951 153.024,952 73.82,953 190.032,955 0.587,956 0.361,957 0.212,958 0.115,959 25,960 10,961 0.044,962 2,963 2,964 1.16,965 3.816,966 255.634,967 0.16,968 25,969 128.382,970 1,974 16.929,975 6.75,976 2.866,978 73.82,979 17.369,983 1.607,984 6.327,986 17.888,987 416.877,988 41.5,993 12.433,996 4.272,997 0.245,999 41.662,1000 45.269,1001 0.333,1002 0.695,1003 0.815,1004 0.945,1005 0.982,1006 0.982,1007 5.006,1008 1.461,1009 5.916,1010 4.004,1011 4.511,1012 5.059,1013 2.119,1014 6.792,1015 4.388,1016 6.221,1017 1.414,1018 7.509,1019 3.408,1020 4.111,1021 4.832,1022 1.305,1023 7.813,1024 3.893,1025 7.542,1026 1.213,1027 9.208,1028 3.173,1029 6.155,1030 7.252,1031 2.592,1032 10.985,1033 5.914,1034 8.902,1035 0.958,1036 10.97,1037 2.994,1038 6.635,1039 7.881,1040 2.44,1041 12.871,1042 6.289,1043 10.296,1044 0.818,1045 12.774,1046 2.379,1047 8.122,1048 9.739,1049 3.367,1050 15.549,1051 7.753,1052 11.714,1053 0.787,1054 14.605,1055 2.093,1056 8.992,1057 10.765,1058 3.548,1059 17.767,1060 8.522,1061 13.152,1062 -0.022,1063 16.457,1064 2.061,1065 10.271,1066 12.387,1067 4.291,1068 20.287,1069 9.766,1070 3.294,1071 -0.136,1072 18.323,1073 -0.053,1074 11.311,1075 13.607,1076 4.635,1077 22.637,1078 10.717,1079 3.12,1080 11.78,1081 20.2,1082 -0.316,1083 12.514,1084 15.122,1085 5.278,1086 25.105,1087 11.872,1088 2.673,1089 10.912,1090 22.086,1091 4.269,1092 13.628,1093 16.44,1094 5.705,1095 27.51,1096 12.904,1097 2.455,1098 8.706,1099 23.978,1100 3.949,1101 14.806,1102 17.906,1103 6.294,1104 29.962,1105 14.025,1106 2.071,1107 7.672,1108 25.877,1109 3.653,1110 15.952,1111 19.276,1112 6.764,1113 32.391,1114 15.096,1115 1.811,1116 6.456,1117 27.779,1118 3.265,1119 17.123,1120 20.72,1121 7.324,1122 34.839,1123 16.205,1124 1.5,1125 4.951,1126 29.686,1127 2.652,1128 18.284,1129 22.118,1130 7.817,1131 37.279,1132 17.294,1133 7936,1134 13985,1135 21.383,1136 31,1137 47.799,1138 48.77,1139 49.082,1140 47.313,1141 47.147,1142 62.116,1143 6.785,1144 141.176,1145 44.147,1146 5.472,1147 5.838,1148 6.648,1149 5.385,1150 5.294,1151 7.269,1152 2.94,1153 19.198,1154 5.066,1155 9.171,1156 1.542,1157 1.573,1158 1.583,1159 1.526,1160 1.521,1161 2.004,1162 0.219,1163 4.554,1164 1.424,1165 4.063,1166 4.077,1167 4.294,1168 4.055,1169 7.43,1170 4.012,1171 3.923,1172 3.949,1173 4.014,1174 3.848,1175 4.96,1176 3.846,1177 3.747,1178 3.774,1179 3.778,1180 3.705,1181 4.883,1182 3.681,1183 3.577,1184 3.626,1185 3.592,1186 3.348,1187 4.716,1188 3.388,1189 3.324,1190 3.359,1191 3.299,1192 3.159,1193 4.396,1194 3.14,1195 2.881,1196 2.922,1197 3.286,1198 2.803,1199 4.337,1200 2.775,1201 2.864,1202 2.912,1203 2.799,1204 2.755,1205 4.306,1206 2.749,1207 2.833,1208 2.881,1209 2.784,1210 2.716,1211 3.663,1212 2.706,1213 0.148,1214 0.124,1215 0.225,1216 0.136,1217 0.106,1218 4.597,1219 0.138,1220 3.838,1221 0.054,1222 6.962,1223 0.38,1224 4.226,1225 0.099,1226 3.294,1227 4.269,1228 1.685,1229 11.78,1230 3.066,1231 1.896,1232 1.881,1233 1.985,1234 1.971,1235 1.16,1236 1.978,1237 1.884,1238 1.861,1239 1.969,1240 1.966,1241 1.084,1242 1.974,1243 1.661,1244 1.627,1245 1.84,1246 1.795,1247 1.066,1248 1.811,1249 1.452,1250 1.445,1251 1.478,1252 1.588,1253 0.705,1254 1.574,1255 1.193,1256 1.153,1257 1.292,1258 1.547,1259 0.506,1260 1.481,1261 1.143,1262 1.11,1263 1.255,1264 1.294,1265 0.279,1266 1.309,1267 0.905,1268 0.847,1269 1.137,1270 1.075,1271 0.185,1272 1.111,1273 0.868,1274 0.824,1275 1.113,1276 1.025,1277 0.161,1278 1.065,1279 4.143,1281 5.493,1282 3.045,1283 7.036,1284 5.476,1285 8.669,1286 7.627,1287 10.351,1290 6.322,1295 1.43,1296 2.554,1297 5.86,1300 1.524,1305 29.669,1306 73.163,1307 152.601,1308 179.13,1309 207.66,1310 215.66,1311 215.66,1312 37.128,1313 8.204,1314 59.91,1315 88.15,1316 29,1317 12.841,1318 4.322,1319 3.524,1320 35.586,1321 92,1322 81,1323 0.193,1324 184.216,1325 317.96,1326 441.246,1327 44063,1328 2.4,1329 18.38,1330 0.681,1331 0.581,1332 19.234,1333 15.68,1334 13.22,1335 0.426,1336 0.313,1337 8.499,1338 12.081,1339 8.255,1340 6.757,1341 13.917,1342 9.692,1343 12.016,1344 0.267,1345 0.17,1346 13.003,1347 7.658,1348 10.838,1349 0.167,1350 0.094,1351 12.037,1352 6.082,1353 9.677,1354 0.105,1355 0.052,1356 10.974,1357 4.763,1358 8.001,1359 0.068,1360 0.029,1361 9.266,1362 3.374,1363 0.294,1364 89.474,1365 0.216,1366 25.266,1367 0.56,1368 152,1369 450.158,1370 205.643,1371 485.944,1372 668.22,1373 456,1374 186,1375 468.373,1376 237.148,1377 496.458,1378 741.3,1379 470,1380 7.699}
{0 CHEMBL2322660,1 1.8,2 11.029,3 2.142,4 4.589,5 122.269,6 8.026,7 0.421,8 4.221,9 4.353,10 3.846,11 3.621,12 5.338,13 3.659,14 4.816,15 5.013,16 4.245,17 4.022,18 6.069,19 4.043,20 5.022,21 5.245,22 4.318,23 4.181,24 6.163,25 4.169,26 5.066,27 5.288,28 4.325,29 4.194,30 6.215,31 4.185,32 5.073,33 5.31,34 4.354,35 4.155,36 6.332,37 4.158,38 5.051,39 5.285,40 4.357,41 4.136,42 6.228,43 4.166,44 5.058,45 5.276,46 4.36,47 4.24,48 6.25,49 4.225,50 5.185,51 5.398,52 4.326,53 4.387,54 6.195,55 4.318,56 0.202,57 1.081,58 11.097,59 4.253,60 22.902,61 5.972,62 0.981,63 1.743,64 25.485,65 7.384,66 88.087,67 10.182,68 1.072,69 1.855,70 32.916,71 8.58,72 82.33,73 13.66,74 0.95,75 2.018,76 33.758,77 9.456,78 92.182,79 13.841,80 1.191,81 2.049,82 35.591,83 8.276,84 115.226,85 13.442,86 1.013,87 2.15,88 34.204,89 7.834,90 79.032,91 11.807,92 1.351,93 2.092,94 33.606,95 8.94,96 89.58,97 13.255,98 0.744,99 2.335,100 36.394,101 13.749,102 79.376,103 18.899,104 22,105 54,106 0.292,107 0.581,108 0.712,109 0.789,110 0.822,111 0.827,112 3.561,113 0.878,114 -4.12,115 -4.07,116 -3.85,119 35.6,125 9,128 1,142 4,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 3,174 11,175 2,183 2,186 2,187 4,189 2,190 2,195 1,198 8,199 4,211 5,212 4,223 3,224 5,226 1,227 1,236 8,237 6,250 3,252 2,253 2,262 5,263 2,275 2100,276 23.3,277 23.3,278 23.3,279 23.3,280 23.3,281 21.453,282 33.53,283 13.661,284 24.256,285 18.714,286 18.714,287 18.714,288 18.714,289 18.714,290 15.643,291 49.195,292 6.406,293 20.307,294 4.082,295 2.301,296 1.488,297 1.017,298 0.814,299 0.78,300 4.269,304 1,305 1,306 819,307 3.464,310 71.993,311 405.086,314 138.098,318 1.561,319 52.52,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 77.5,331 375,332 4.716,333 3.72,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.277,342 3.655,343 6.305,344 3.9,345 2.987,346 3.893,347 1.984,348 9.653,349 2.734,350 3.957,351 3.247,352 6.063,353 3.744,354 2.805,355 3.19,356 0.86,357 8.749,358 2.629,359 3.78,360 3.035,361 5.955,362 3.53,363 2.606,364 3.108,365 0.8,366 8.35,367 2.394,368 3.755,369 3,370 5.856,371 3.374,372 2.44,373 2.948,374 0.8,375 7.874,376 2.274,377 3.507,378 2.508,379 5.585,380 3.179,381 2.283,382 2.747,383 0.596,384 7.122,385 2.033,386 3.081,387 2.281,388 4.755,389 2.75,390 1.837,391 2.262,392 0.076,393 5.024,394 1.678,395 2.937,396 2.25,397 4.433,398 2.565,399 1.628,400 2.109,402 4.151,403 1.51,404 2.861,405 1.77,406 4.312,407 2.458,408 1.499,409 1.952,411 4.071,412 1.432,413 2.832,414 1.63,415 4.033,416 2.401,417 1.447,418 1.859,420 3.268,421 1.375,422 2.383,423 1.386,424 3.977,425 2.116,426 1.201,427 1.35,428 3.106,429 1.092,430 2.306,431 1.308,432 3.587,433 1.967,434 1.04,435 1.261,436 2.608,437 0.965,438 2.191,439 1.3,440 3.49,441 1.952,442 1,443 1.161,445 2.519,446 0.946,447 2,448 1.256,449 3.414,450 1.916,451 1,452 1,454 2.275,455 0.906,456 2,457 1.17,458 3.287,459 1.852,460 1,461 1,463 2.136,464 0.836,465 15.338,466 0.451,467 0.798,468 0.023,469 42,470 1.235,471 16.5,472 0.485,473 25.5,474 0.75,475 31.427,476 0.924,477 38.662,478 0.655,479 36.566,480 1.075,481 8.472,482 0.249,483 8.074,484 0.237,485 0.085,487 0.365,489 2,493 0.738,494 1.535,495 0.684,496 1.349,497 0.598,498 1.057,499 0.855,500 0.853,501 0.868,502 0.867,503 0.629,504 0.866,505 0.711,506 0.833,507 0.83,508 0.882,509 0.558,510 0.887,511 0.899,512 1.064,513 0.954,514 1.06,515 0.955,516 1.026,517 0.842,518 1.016,519 0.869,520 0.894,521 0.849,522 0.878,523 1.213,524 1.293,525 0.991,526 0.928,527 1.018,528 0.865,529 0.841,530 0.734,531 1.052,532 0.819,533 0.793,534 0.949,535 0.701,536 1.201,537 1.016,538 1.452,539 0.642,540 1.362,541 6,542 0.268,543 4,544 2.292,545 1.864,546 1.371,547 1.126,548 0.672,549 0.417,550 0.344,551 15297,552 47513,553 2.127,554 42.4,556 22,557 1,559 2,564 1.769,565 2,566 3.368,567 0.323,569 1,573 106.212,574 1.8,575 3.582,576 4.395,577 4.866,578 5.069,579 5.103,580 2.815,581 4.676,582 5.055,583 3.567,584 2000.82,585 8.92,586 29535.6,591 347.076,592 1.379,593 5.023,594 0.158,595 0.009,596 0.074,597 0.04,598 0.033,599 0.024,600 0.019,601 0.011,602 0.007,603 0.008,604 0.382,605 0.33,606 0.63,607 0.903,608 178.488,609 -0.086,610 -0.405,611 0.061,612 -0.222,613 -0.063,614 -0.067,615 0.073,616 0.201,617 0.029,618 0.109,619 0.114,620 0.059,621 0.067,622 0.053,623 0.081,624 0.086,625 0.081,626 0.083,627 -0.077,628 -0.124,629 -0.039,630 -0.094,631 -0.101,632 -0.067,633 0.053,634 -0.053,635 0.086,636 0.031,637 0.039,638 0.06,639 -0.21,640 -0.183,641 -0.029,642 -0.008,643 -0.082,644 0.044,645 0.091,646 0.368,647 -0.135,648 0.15,649 0.037,650 -0.02,651 -0.013,652 -0.21,653 -0.144,654 -0.341,655 0.001,656 -0.296,657 4.148,658 5.975,659 0.794,660 33.678,661 1.026,662 1.158,663 2.892,664 8.364,665 0.639,666 3.664,667 4.007,668 4.331,669 4.635,670 4.927,671 5.075,672 5.298,673 5.476,674 5.613,675 5.756,676 6.664,677 0.629,678 473.55,679 3.664,680 5.22,681 6.094,682 6.989,683 7.885,684 8.79,685 9.696,686 10.607,687 11.518,688 12.433,689 15.3,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 59,733 17,734 1,735 38,737 63,738 21,739 10,740 2,741 4,745 1,746 5,747 6,752 2,761 11,762 10,766 1,771 1,775 1,778 1,779 2,781 25,782 12,783 2,784 13,787 1,790 9,794 0.8,795 2,811 1,812 4,815 1,827 1,833 1,839 1,840 4,846 2,848 34,849 1,854 9,856 1,858 1,859 3,869 2,870 3.4,873 1,874 1,877 17,878 10.469,879 7.472,880 3.541,881 3.274,882 1.397,883 1.003,884 6.658,885 11.525,886 3.871,887 4.451,888 5.068,889 5.697,890 6.282,891 6.697,892 7.188,893 7.65,894 7.948,895 8.311,896 1,897 58,898 12.783,900 5.679,901 8,902 23.723,904 19.68,905 2.5,906 85,910 270.735,911 86.963,912 111.311,914 36.145,915 29.92,917 86.963,918 306.88,919 141.232,921 59.946,922 46.02,923 110.32,924 40.212,925 19.613,926 258.964,928 270.735,929 198.274,930 66.065,933 270.735,934 55.065,935 11,936 8.115,937 72.015,938 51.002,939 67.142,941 300.656,942 147.456,943 86.963,946 278.85,947 40.943,948 49.177,950 166.104,951 270.735,952 177.376,953 86.963,955 0.582,956 0.35,957 0.192,958 0.111,959 27,960 12,961 0.063,962 4,963 1,964 1.074,965 4.318,966 341.56,967 0.074,968 27,969 162.974,974 22.998,975 9.843,976 4.624,977 0.919,978 175.477,979 6.892,980 17.94,984 0.409,985 1.295,986 32.897,987 535.074,988 47,993 11.947,997 -0.114,999 60.549,1000 68.32,1001 0.306,1002 0.609,1003 0.747,1004 0.827,1005 0.862,1006 0.867,1007 5.136,1008 1.628,1009 6.084,1010 5.024,1011 4.691,1012 5.139,1013 3.011,1014 6.932,1015 4.534,1016 6.324,1017 1.499,1018 7.664,1019 4.151,1020 4.29,1021 4.977,1022 2.733,1023 7.906,1024 4.038,1025 7.633,1026 1.447,1027 9.347,1028 4.071,1029 6.315,1030 7.327,1031 4.115,1032 11.041,1033 6.003,1034 8.98,1035 1.201,1036 11.09,1037 3.268,1038 6.758,1039 8.051,1040 4.527,1041 12.869,1042 6.352,1043 10.365,1044 1.04,1045 12.872,1046 3.106,1047 8.244,1048 9.891,1049 5.58,1050 15.525,1051 7.774,1052 11.777,1053 1,1054 14.681,1055 2.608,1056 9.071,1057 11.035,1058 6.244,1059 17.712,1060 8.513,1061 13.21,1062 1,1063 16.51,1064 2.519,1065 10.346,1066 12.678,1067 7.172,1068 20.22,1069 9.721,1070 3.317,1071 1,1072 18.354,1073 2.275,1074 11.353,1075 14.025,1076 7.939,1077 22.567,1078 10.644,1079 2.987,1080 11.982,1081 20.209,1082 2.136,1083 12.549,1084 15.591,1085 8.818,1086 25.036,1087 11.769,1088 2.805,1089 9.653,1090 22.075,1091 4.642,1092 13.641,1093 17.035,1094 9.633,1095 27.453,1096 12.78,1097 2.606,1098 8.749,1099 23.95,1100 3.893,1101 14.813,1102 18.572,1103 10.495,1104 29.918,1105 13.877,1106 2.44,1107 8.35,1108 25.831,1109 3.19,1110 15.946,1111 20.061,1112 11.331,1113 32.368,1114 14.932,1115 2.283,1116 7.874,1117 27.72,1118 3.108,1119 17.113,1120 21.59,1121 12.189,1122 34.837,1123 16.024,1124 1.837,1125 7.122,1126 29.615,1127 2.948,1128 18.269,1129 23.1,1130 13.037,1131 37.303,1132 17.102,1133 14479,1134 25700,1135 25.66,1136 37.688,1137 57.994,1138 59.193,1139 59.662,1140 57.745,1141 57.607,1142 70.908,1143 14.982,1144 168.977,1145 53.1,1146 5.716,1147 5.72,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 15.805,1156 1.526,1157 1.558,1158 1.57,1159 1.52,1160 1.516,1161 1.866,1162 0.394,1163 4.447,1164 1.397,1165 4.141,1166 4.188,1167 4.122,1168 3.999,1169 8.362,1170 4.021,1171 3.907,1172 3.971,1173 3.849,1174 3.691,1175 7.999,1176 3.721,1177 3.79,1178 3.852,1179 3.699,1180 3.565,1181 7.427,1182 3.589,1183 3.629,1184 3.686,1185 3.546,1186 3.409,1187 5.122,1188 3.437,1189 3.497,1190 3.558,1191 3.434,1192 3.275,1193 4.988,1194 3.305,1195 3.417,1196 3.487,1197 3.31,1198 3.171,1199 4.91,1200 3.196,1201 3.111,1202 3.206,1203 2.996,1204 2.941,1205 4.607,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.314,1212 2.91,1213 0.124,1214 0.098,1215 0.184,1216 0.112,1217 0.087,1218 4.716,1219 0.122,1220 3.72,1221 0.062,1222 7.005,1223 0.315,1224 4.242,1225 0.081,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.014,1234 2.092,1235 1.278,1236 2.061,1237 1.811,1238 1.747,1239 1.974,1240 2.001,1241 1.196,1242 1.999,1243 1.72,1244 1.658,1245 1.918,1246 1.962,1247 1.118,1248 1.952,1249 1.583,1250 1.527,1251 1.685,1252 1.838,1253 0.825,1254 1.8,1255 1.431,1256 1.37,1257 1.635,1258 1.718,1259 0.825,1260 1.697,1261 1.321,1262 1.256,1263 1.513,1264 1.607,1265 0.759,1266 1.565,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.729,1272 1.429,1273 1.153,1274 1.064,1275 1.429,1276 1.376,1277 0.464,1278 1.429,1279 4.344,1281 5.68,1282 2.398,1283 7.22,1284 4.844,1285 8.849,1286 7.066,1287 10.524,1291 27.949,1293 5.486,1295 4.08,1297 5.438,1299 -2.815,1300 5.573,1305 37.13,1306 106.212,1307 211.346,1308 259.302,1309 287.076,1310 299.076,1311 301.076,1312 66.923,1313 8.251,1314 118.53,1315 118.53,1316 29,1317 12.946,1318 4.17,1319 3.322,1320 49.519,1321 133,1322 166,1323 0.179,1324 223.361,1325 384.96,1326 536.761,1327 42218,1328 3.4,1329 23.656,1330 0.696,1331 0.543,1332 22.079,1333 18.478,1334 16.546,1335 0.435,1336 0.293,1337 10.83,1338 15.457,1339 10.754,1340 8.724,1341 15.635,1342 11.124,1343 14.875,1344 0.275,1345 0.148,1346 13.945,1347 8.002,1348 12.997,1349 0.173,1350 0.08,1351 12.403,1352 5.966,1353 10.939,1354 0.107,1355 0.041,1356 10.57,1357 4.176,1358 9.388,1359 0.069,1360 0.021,1361 8.736,1362 2.861,1363 0.274,1364 106.797,1365 0.197,1366 30.764,1367 0.517,1368 184,1369 702.166,1370 217.22,1371 607.715,1372 816.72,1373 572,1374 221,1375 584.639,1376 254.451,1377 571.762,1378 863.05,1379 539,1380 5.824}
{0 CHEMBL2322661,1 1.817,2 12.703,3 2.164,4 4.681,5 131.712,6 8.056,7 0.39,8 4.295,9 4.422,10 3.921,11 3.697,12 5.418,13 3.735,14 4.891,15 5.088,16 4.318,17 4.088,18 6.159,19 4.11,20 5.096,21 5.313,22 4.372,23 4.245,24 6.243,25 4.236,26 5.141,27 5.361,28 4.392,29 4.264,30 6.295,31 4.254,32 5.158,33 5.393,34 4.451,35 4.228,36 6.471,37 4.236,38 5.125,39 5.344,40 4.448,41 4.233,42 6.322,43 4.267,44 5.174,45 5.378,46 4.449,47 4.358,48 6.383,49 4.338,50 5.329,51 5.557,52 4.39,53 4.479,54 6.323,55 4.398,56 0.219,57 1.15,58 11.783,59 4.732,60 22.22,61 6.514,62 1.065,63 1.845,64 27.468,65 8.004,66 92.141,67 11.045,68 1.222,69 1.973,70 35.394,71 9.168,72 97.139,73 14.198,74 1.037,75 2.142,76 36.46,77 10.441,78 106.118,79 15.118,80 1.395,81 2.184,82 39.133,83 9.147,84 142.182,85 14.728,86 1.139,87 2.319,88 36.024,89 8.569,90 91.05,91 12.337,92 1.474,93 2.306,94 36.889,95 10.567,96 112.441,97 15.02,98 1.025,99 2.518,100 44.287,101 15.721,102 111.893,103 22.02,104 33,105 58,106 0.289,107 0.569,108 0.725,109 0.799,110 0.828,111 0.833,112 3.643,113 0.88,114 -4.16,115 -4.1,116 -3.88,119 35.9,120 1,125 9,128 1,142 4,146 1,150 3,152 1,158 2,161 1,172 3,174 11,175 3,178 1,180 1,183 2,186 2,187 4,190 2,195 1,198 8,199 4,211 7,212 6,223 3,224 5,227 1,236 8,237 6,249 1,250 4,253 2,262 5,263 2,275 2733,276 24.999,277 24.999,278 24.999,279 24.999,280 24.999,281 22.945,282 35.376,283 14.77,284 25.965,285 20.269,286 20.269,287 20.269,288 20.269,289 20.269,290 16.901,291 50.982,292 7.047,293 21.865,294 4.183,295 2.424,296 1.446,297 0.981,298 0.793,299 0.762,300 4.347,306 1020,307 4,310 82.128,311 460.774,314 156.756,318 1.867,319 59.048,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.69,330 84.5,331 470,332 4.716,333 3.737,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.277,342 3.655,343 6.305,344 3.901,345 2.988,346 3.893,347 1.995,348 9.654,349 2.738,350 3.969,351 3.498,352 6.067,353 3.753,354 2.812,355 3.19,356 1.897,357 8.763,358 2.639,359 3.78,360 3.246,361 5.96,362 3.538,363 2.615,364 3.123,365 0.86,366 8.39,367 2.403,368 3.761,369 3.035,370 5.856,371 3.375,372 2.44,373 2.953,374 0.8,375 7.874,376 2.276,377 3.53,378 3,379 5.586,380 3.213,381 2.29,382 2.749,383 0.8,384 7.123,385 2.185,386 3.499,387 2.508,388 4.761,389 3.162,390 2.186,391 2.677,392 0.602,393 5.244,394 2.03,395 3.08,396 2.281,397 4.675,398 2.745,399 1.832,400 2.261,401 0.183,402 4.993,403 1.673,404 2.937,405 2.251,406 4.427,407 2.553,408 1.609,409 2.109,411 4.15,412 1.502,413 2.86,414 1.77,415 4.302,416 2.458,417 1.498,418 1.951,420 4.075,421 1.432,422 2.83,423 1.63,424 4.031,425 2.4,426 1.443,427 1.855,428 3.302,429 1.374,430 2.386,431 1.438,432 3.978,433 2.116,434 1.196,435 1.351,436 3.161,437 1.092,438 2.307,439 1.386,440 3.587,441 1.967,442 1.039,443 1.262,445 2.611,446 0.965,447 2.192,448 1.308,449 3.49,450 1.952,451 1,452 1.161,454 2.519,455 0.946,456 2,457 1.3,458 3.414,459 1.917,460 1,461 1,463 2.275,464 0.906,465 16.671,466 0.451,467 0.942,468 0.025,469 45.5,470 1.23,471 18,472 0.486,473 27.5,474 0.743,475 35.277,476 0.953,477 42.129,478 0.658,479 41.014,480 1.108,481 9.245,482 0.25,483 8.657,484 0.234,485 0.104,487 0.366,489 2,493 0.708,494 1.57,495 0.675,496 1.382,497 0.545,498 1.081,499 0.814,500 0.875,501 0.845,502 0.881,503 0.585,504 0.868,505 0.819,506 0.83,507 0.916,508 0.872,509 0.729,510 0.91,511 0.878,512 1.082,513 0.939,514 1.076,515 0.921,516 1.031,517 0.784,518 0.994,519 0.811,520 0.851,521 0.738,522 0.826,523 1.267,524 1.281,525 1.049,526 0.926,527 1.063,528 0.885,529 0.887,530 0.806,531 1.13,532 0.954,533 0.904,534 1.078,535 0.692,536 1.133,537 1.003,538 1.356,539 0.681,540 1.303,541 7,542 0.276,543 4.222,544 2.417,545 2.024,546 1.482,547 1.228,548 0.731,549 0.458,550 0.384,551 19870,552 64059,553 2.1,554 42.2,556 22,557 1,559 1,560 3,564 1.787,565 1.965,566 3.541,567 -0.231,573 116.292,574 1.817,575 3.576,576 4.554,577 5.019,578 5.207,579 5.238,580 3.022,581 4.52,582 5.174,583 3.784,584 2520.03,585 9.147,586 40081,591 384,592 1.414,593 5.14,594 0.171,595 0.008,596 0.073,597 0.04,598 0.033,599 0.023,600 0.019,601 0.011,602 0.008,603 0.008,604 0.393,605 0.33,606 0.63,607 1.181,608 201.4,609 -0.072,610 -0.431,611 0.064,612 -0.247,613 -0.04,614 -0.086,615 0.09,616 0.182,617 0.053,618 0.091,619 0.127,620 0.059,621 -0.003,622 0.068,623 -0.001,624 0.085,625 -0.01,626 0.046,627 -0.069,628 -0.137,629 -0.021,630 -0.104,631 -0.092,632 -0.064,633 0.112,634 -0.035,635 0.154,636 0.07,637 0.128,638 0.114,639 -0.254,640 -0.142,641 -0.1,642 -0.001,643 -0.113,644 0.014,645 0.036,646 0.297,647 -0.226,648 0.035,649 -0.026,650 -0.139,651 0.005,652 -0.199,653 -0.097,654 -0.275,655 -0.015,656 -0.234,657 4.169,658 6.038,659 0.73,660 43.353,661 1.027,662 1.155,663 2.931,664 8.594,665 0.639,666 3.738,667 4.078,668 4.369,669 4.673,670 4.97,671 5.112,672 5.328,673 5.509,674 5.663,675 5.805,676 7.526,677 0.631,678 515.59,679 3.738,680 5.293,681 6.155,682 7.047,683 7.934,684 8.836,685 9.736,686 10.643,687 11.551,688 12.463,689 14.1,695 2,696 2,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 64,733 18,734 1,735 41,737 68,738 23,739 10,740 2,741 4,745 1,746 5,747 6,752 2,761 12,762 11,766 2,771 2,775 2,779 2,781 27,782 13,783 1,784 14,787 1,790 9,794 0.8,795 3,811 1,812 4,815 1,826 1,827 1,839 1,840 4,844 1,846 2,848 37,854 9,855 1,856 1,858 1,859 3,869 2,870 4.7,873 2,874 1,877 18.833,878 11.802,879 8.056,880 3.854,881 3.298,882 1.392,883 0.987,884 7.676,885 11.718,886 3.951,887 4.519,888 5.093,889 5.717,890 6.302,891 6.707,892 7.194,893 7.655,894 7.955,895 8.319,896 1,897 61,898 13.92,900 6.151,901 8.045,902 25.715,904 21.118,905 2.545,906 94.167,910 306.049,911 100.492,912 96.425,914 61.29,915 29.92,917 100.492,918 367.338,919 126.345,920 8.825,921 45.06,922 46.02,923 140.169,924 40.212,925 19.613,926 294.278,928 306.049,929 196.917,930 91.21,933 306.049,934 80.21,935 11,936 8.115,937 65.953,938 55.707,939 67.142,941 335.969,942 157.715,943 100.492,946 314.163,947 45.647,948 58.002,949 18.011,950 158.352,951 306.049,952 187.635,953 100.492,955 0.583,956 0.334,957 0.183,958 0.11,959 28,960 13,961 0.074,962 5,963 1,964 1.074,965 4.578,966 375.747,967 0.074,968 27,969 182.75,974 25.554,975 11.114,976 5.603,977 0.884,978 185.736,979 6.85,980 17.96,984 0.309,985 1.28,986 18.011,987 594.176,988 51,993 23.523,997 -0.442,999 65.76,1000 73.944,1001 0.303,1002 0.596,1003 0.759,1004 0.837,1005 0.868,1006 0.873,1007 5.215,1008 1.832,1009 6.146,1010 5.244,1011 4.762,1012 5.207,1013 3.271,1014 6.98,1015 4.616,1016 6.404,1017 1.609,1018 7.717,1019 4.993,1020 4.369,1021 5.056,1022 2.96,1023 7.932,1024 4.146,1025 7.709,1026 1.498,1027 9.391,1028 4.15,1029 6.372,1030 7.371,1031 4.365,1032 11.062,1033 6.076,1034 9.049,1035 1.443,1036 11.125,1037 4.075,1038 6.804,1039 8.088,1040 4.72,1041 12.877,1042 6.424,1043 10.427,1044 1.196,1045 12.9,1046 3.302,1047 8.283,1048 9.914,1049 5.774,1050 15.533,1051 7.833,1052 11.831,1053 1.039,1054 14.703,1055 3.161,1056 9.098,1057 11.051,1058 6.392,1059 17.716,1060 8.562,1061 13.256,1062 1,1063 16.527,1064 2.611,1065 10.371,1066 12.688,1067 7.311,1068 20.224,1069 9.763,1070 3.317,1071 1,1072 18.367,1073 2.519,1074 11.37,1075 14.032,1076 8.047,1077 22.569,1078 10.677,1079 2.988,1080 11.982,1081 20.219,1082 2.275,1083 12.565,1084 15.595,1085 8.916,1086 25.038,1087 11.798,1088 2.812,1089 9.654,1090 22.083,1091 4.642,1092 13.652,1093 17.037,1094 9.71,1095 27.455,1096 12.803,1097 2.615,1098 8.763,1099 23.956,1100 3.893,1101 14.822,1102 18.574,1103 10.561,1104 29.92,1105 13.898,1106 2.44,1107 8.39,1108 25.836,1109 3.19,1110 15.954,1111 20.062,1112 11.385,1113 32.369,1114 14.949,1115 2.29,1116 7.874,1117 27.724,1118 3.123,1119 17.12,1120 21.591,1121 12.234,1122 34.838,1123 16.039,1124 2.186,1125 7.123,1126 29.618,1127 2.953,1128 18.274,1129 23.101,1130 13.073,1131 37.303,1132 17.115,1133 18935,1134 34167,1135 27.452,1136 40.904,1137 62.8,1138 63.941,1139 63.761,1140 62.363,1141 62.277,1142 76.688,1143 19.022,1144 180.73,1145 57.807,1146 5.716,1147 5.737,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 18.939,1156 1.532,1157 1.56,1158 1.555,1159 1.521,1160 1.519,1161 1.87,1162 0.464,1163 4.408,1164 1.41,1165 4.142,1166 4.188,1167 4.122,1168 3.999,1169 8.362,1170 4.022,1171 3.91,1172 3.973,1173 3.851,1174 3.694,1175 7.999,1176 3.724,1177 3.795,1178 3.856,1179 3.712,1180 3.569,1181 7.434,1182 3.594,1183 3.664,1184 3.721,1185 3.571,1186 3.428,1187 7.423,1188 3.457,1189 3.576,1190 3.634,1191 3.488,1192 3.362,1193 5.121,1194 3.385,1195 3.463,1196 3.517,1197 3.411,1198 3.229,1199 4.91,1200 3.265,1201 3.309,1202 3.359,1203 3.21,1204 3.075,1205 4.607,1206 3.094,1207 3.111,1208 3.206,1209 2.992,1210 2.941,1211 4.321,1212 2.91,1213 0.115,1214 0.091,1215 0.171,1216 0.103,1217 0.081,1218 4.716,1219 0.113,1220 3.737,1221 0.058,1222 7.005,1223 0.292,1224 4.242,1225 0.075,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.014,1234 2.092,1235 1.279,1236 2.061,1237 1.812,1238 1.749,1239 1.975,1240 2.003,1241 1.196,1242 1.999,1243 1.722,1244 1.661,1245 1.919,1246 1.963,1247 1.118,1248 1.953,1249 1.59,1250 1.535,1251 1.772,1252 1.849,1253 0.861,1254 1.82,1255 1.534,1256 1.475,1257 1.655,1258 1.801,1259 0.825,1260 1.774,1261 1.361,1262 1.306,1263 1.548,1264 1.643,1265 0.825,1266 1.593,1267 1.24,1268 1.182,1269 1.513,1270 1.503,1271 0.736,1272 1.503,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.659,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.28,1284 4.844,1285 8.895,1286 7.066,1287 10.561,1289 1.36,1291 28.075,1295 3.737,1296 2.519,1297 5.446,1299 -2.836,1300 5.501,1305 40.372,1306 116.292,1307 228.873,1308 291.471,1309 321.245,1310 333.245,1311 335.245,1312 80.68,1313 8.42,1314 121.61,1315 121.61,1316 29,1317 12.978,1318 4.248,1319 3.459,1320 56.421,1321 163,1322 207,1323 0.166,1324 243.615,1325 425.71,1326 586.179,1327 53260,1328 3.1,1329 25.941,1330 0.701,1331 0.549,1332 24.363,1333 20.309,1334 17.902,1335 0.437,1336 0.293,1337 11.709,1338 16.705,1339 11.569,1340 9.414,1341 16.991,1342 12.023,1343 16.438,1344 0.283,1345 0.15,1346 15.508,1347 8.707,1348 13.552,1349 0.174,1350 0.081,1351 12.958,1352 6.28,1353 11.438,1354 0.108,1355 0.041,1356 11.069,1357 4.358,1358 9.981,1359 0.07,1360 0.021,1361 9.329,1362 3.011,1363 0.258,1364 115.61,1365 0.191,1366 33.307,1367 0.466,1368 198,1369 774.923,1370 234.461,1371 673.405,1372 897.12,1373 632,1374 235,1375 635.543,1376 270.612,1377 621.758,1378 931.06,1379 585,1380 7.377}
{0 CHEMBL2322662,1 1.776,2 11.114,3 2.52,4 6.349,5 126.687,6 7.864,7 0.41,8 4.262,9 4.396,10 3.87,11 3.667,12 5.366,13 3.697,14 4.861,15 5.061,16 4.278,17 4.071,18 6.096,19 4.085,20 5.08,21 5.305,22 4.357,23 4.232,24 6.225,25 4.216,26 5.141,27 5.372,28 4.357,29 4.243,30 6.282,31 4.23,32 5.11,33 5.338,34 4.387,35 4.223,36 6.359,37 4.216,38 5.152,39 5.397,40 4.382,41 4.218,42 6.28,43 4.222,44 5.143,45 5.382,46 4.376,47 4.283,48 6.285,49 4.257,50 5.201,51 5.411,52 4.357,53 4.41,54 6.216,55 4.343,56 0.184,57 1.121,58 12.109,59 4.565,60 22.134,61 6.513,62 0.97,63 1.815,64 27.289,65 7.915,66 89.309,67 11.148,68 1.061,69 1.944,70 35.269,71 9.093,72 83.809,73 14.737,74 1.048,75 2.101,76 38.136,77 10.034,78 105.422,79 15.016,80 1.144,81 2.16,82 36.541,83 8.963,84 113.421,85 14.402,86 1.026,87 2.272,88 39.186,89 9.232,90 84.436,91 14.364,92 1.445,93 2.167,94 38.97,95 9.76,96 97.916,97 15.165,98 0.671,99 2.392,100 37.435,101 14.006,102 73.327,103 19.453,104 31,105 56,106 0.285,107 0.575,108 0.721,109 0.793,110 0.824,111 0.83,112 3.589,113 0.889,114 -4.34,115 -4.27,116 -4.03,119 35.5,120 1,125 8,127 1,128 1,142 4,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 3,174 11,175 2,180 1,183 2,185 1,186 2,187 6,189 2,190 2,195 1,198 8,199 4,211 5,212 4,223 3,224 6,226 1,227 1,236 8,237 6,250 5,252 2,253 2,262 5,263 2,275 2254,276 23.637,277 23.637,278 23.637,279 23.637,280 23.637,281 21.815,282 34.492,283 13.801,284 24.611,285 19.25,286 19.25,287 19.25,288 19.25,289 19.25,290 16.215,291 50.9,292 6.538,293 20.864,294 4.178,295 2.375,296 1.46,297 1.012,298 0.819,299 0.786,300 4.294,305 1,306 846,307 3.742,310 75.225,311 422.936,314 144.07,318 1.603,319 53.947,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 79.5,331 389,332 4.716,333 3.814,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.323,344 3.926,345 2.998,346 3.893,347 1.984,348 9.663,349 2.823,350 4.064,351 3.248,352 6.262,353 3.833,354 2.889,355 3.236,356 0.86,357 9.186,358 2.685,359 3.783,360 3.035,361 6.01,362 3.569,363 2.652,364 3.183,365 0.8,366 8.591,367 2.423,368 3.773,369 3.004,370 5.857,371 3.377,372 2.441,373 2.963,374 0.8,375 7.877,376 2.277,377 3.511,378 2.514,379 5.587,380 3.193,381 2.297,382 2.749,383 0.596,384 7.129,385 2.049,386 3.118,387 2.317,388 4.913,389 2.904,390 1.969,391 2.273,392 0.076,393 5.346,394 1.831,395 2.971,396 2.266,397 4.721,398 2.693,399 1.793,400 2.113,402 4.838,403 1.611,404 2.928,405 1.881,406 4.407,407 2.46,408 1.512,409 2.039,411 4.135,412 1.432,413 2.856,414 1.766,415 4.215,416 2.421,417 1.478,418 1.924,420 3.691,421 1.387,422 2.527,423 1.63,424 4.002,425 2.238,426 1.31,427 1.526,428 3.217,429 1.209,430 2.319,431 1.386,432 3.587,433 1.967,434 1.064,435 1.28,436 2.621,437 0.965,438 2.197,439 1.308,440 3.491,441 1.952,442 1,443 1.167,445 2.519,446 0.946,447 2.068,448 1.3,449 3.414,450 1.938,451 1,452 1,454 2.275,455 0.923,456 2,457 1.256,458 3.288,459 1.852,460 1,461 1,463 2.136,464 0.836,465 15.838,466 0.453,467 0.925,468 0.026,469 42.5,470 1.214,471 16.5,472 0.471,473 26,474 0.743,475 34.052,476 0.973,477 39.962,478 0.645,479 37.427,480 1.069,481 8.419,482 0.241,483 8.5,484 0.243,485 0.114,487 0.385,489 2,493 0.732,494 1.535,495 0.701,496 1.354,497 0.607,498 1.072,499 0.838,500 0.877,501 0.847,502 0.883,503 0.617,504 0.868,505 0.713,506 0.868,507 0.845,508 0.927,509 0.573,510 0.918,511 0.982,512 0.995,513 0.96,514 0.955,515 1.072,516 0.947,517 0.844,518 1.061,519 0.917,520 0.978,521 0.856,522 0.96,523 1.119,524 1.263,525 0.966,526 0.971,527 0.946,528 0.905,529 0.818,530 0.676,531 0.986,532 0.731,533 0.753,534 0.857,535 0.707,536 1.253,537 1.003,538 1.467,539 0.651,540 1.357,541 6.5,542 0.313,543 4.222,544 2.542,545 2.024,546 1.399,547 1.166,548 0.734,549 0.417,550 0.363,551 16568,552 49754,553 2.106,554 43.5,556 21,557 1,559 2,561 3,564 1.776,565 1.963,566 3.398,567 0.304,569 1,573 110.141,574 1.776,575 3.579,576 4.494,577 4.942,578 5.136,579 5.168,580 2.843,581 4.672,582 5.098,583 3.614,584 2150.14,585 9.001,586 32511.8,591 369.16,592 1.438,593 5.057,594 0.167,595 0.009,596 0.075,597 0.042,598 0.034,599 0.023,600 0.019,601 0.012,602 0.007,603 0.008,604 0.398,605 0.17,606 0.63,607 0.93,608 185.776,609 -0.078,610 -0.393,611 0.062,612 -0.212,613 -0.069,614 -0.063,615 0.094,616 0.184,617 0.06,618 0.104,619 0.128,620 0.07,621 0.069,622 0.029,623 0.069,624 0.04,625 0.08,626 0.049,627 -0.102,628 -0.079,629 -0.018,630 -0.007,631 -0.122,632 0.004,633 0.051,634 -0.06,635 0.023,636 -0.03,637 0.035,638 -0.018,639 -0.154,640 -0.196,641 0.007,642 -0.038,643 -0.054,644 0.03,645 0.109,646 0.37,647 -0.034,648 0.217,649 0.056,650 0.084,651 -0.011,652 -0.24,653 -0.132,654 -0.35,655 0.004,656 -0.293,657 4.151,658 6.006,659 0.771,660 35.966,661 1.023,662 1.157,663 3.107,664 9.653,665 0.636,666 3.689,667 4.043,668 4.357,669 4.654,670 4.942,671 5.088,672 5.318,673 5.501,674 5.628,675 5.781,676 6.87,677 0.623,678 487.58,679 3.689,680 5.252,681 6.125,682 7.022,683 7.917,684 8.822,685 9.727,686 10.638,687 11.548,688 12.462,689 14.5,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 62,733 17,734 1,735 39,737 66,738 22,739 10,740 2,741 4,745 1,746 5,747 6,752 2,758 1,761 11,762 11,766 1,771 1,775 1,779 2,781 27,782 12,783 2,784 13,787 1,790 9,794 0.8,795 2,811 1,812 4,815 1,827 1,833 1,839 1,840 4,844 1,846 2,848 35,849 1,854 8,856 1,858 2,859 3,869 2,870 3.2,873 1,874 1,877 17.833,878 11.302,879 7.583,880 3.777,881 3.267,882 1.393,883 0.991,884 6.894,885 11.577,886 3.892,887 4.474,888 5.087,889 5.704,890 6.286,891 6.7,892 7.191,893 7.654,894 7.951,895 8.317,896 1,897 60,898 13.173,900 5.861,901 7.981,902 24.479,904 20.355,905 2.481,906 86.833,910 294.278,911 93.682,912 111.311,914 36.145,915 29.92,917 93.682,918 330.422,919 141.232,920 8.825,921 57.84,922 46.02,923 110.32,924 40.212,925 19.613,926 282.506,928 294.278,929 204.993,930 66.065,933 258.964,934 90.378,935 11,936 8.115,937 78.734,938 51.002,939 67.142,941 324.198,942 147.456,943 93.682,946 302.392,947 38.837,948 58.002,950 166.104,951 294.278,952 177.376,953 93.682,955 0.588,956 0.349,957 0.188,958 0.108,959 28,960 13,961 0.061,962 4,963 1,964 1.074,965 4.372,966 354.824,967 0.074,968 27,969 167.525,974 23.952,975 10.075,976 4.844,977 0.918,978 175.477,979 6.896,980 17.987,984 0.404,985 1.297,986 32.897,987 565.336,988 48,993 12.278,997 -0.11,999 63.432,1000 71.735,1001 0.298,1002 0.601,1003 0.755,1004 0.83,1005 0.863,1006 0.868,1007 5.165,1008 1.793,1009 6.125,1010 5.346,1011 4.727,1012 5.162,1013 3.011,1014 6.976,1015 4.574,1016 6.358,1017 1.512,1018 7.71,1019 4.838,1020 4.369,1021 5.017,1022 2.733,1023 7.958,1024 4.129,1025 7.668,1026 1.478,1027 9.398,1028 4.135,1029 6.358,1030 7.345,1031 4.115,1032 11.091,1033 6.057,1034 9.016,1035 1.31,1036 11.145,1037 3.691,1038 6.825,1039 8.076,1040 4.527,1041 12.916,1042 6.443,1043 10.401,1044 1.064,1045 12.931,1046 3.217,1047 8.294,1048 9.907,1049 5.58,1050 15.573,1051 7.848,1052 11.813,1053 1,1054 14.742,1055 2.621,1056 9.133,1057 11.051,1058 6.244,1059 17.754,1060 8.61,1061 13.247,1062 1,1063 16.573,1064 2.519,1065 10.401,1066 12.689,1067 7.172,1068 20.261,1069 9.811,1070 3.317,1071 1,1072 18.418,1073 2.275,1074 11.413,1075 14.035,1076 7.939,1077 22.601,1078 10.748,1079 2.998,1080 11.982,1081 20.275,1082 2.136,1083 12.605,1084 15.598,1085 8.818,1086 25.067,1087 11.87,1088 2.889,1089 9.663,1090 22.141,1091 4.642,1092 13.698,1093 17.04,1094 9.633,1095 27.479,1096 12.888,1097 2.652,1098 9.186,1099 24.015,1100 3.893,1101 14.867,1102 18.577,1103 10.495,1104 29.94,1105 13.985,1106 2.441,1107 8.591,1108 25.896,1109 3.236,1110 15.999,1111 20.064,1112 11.331,1113 32.386,1114 15.042,1115 2.297,1116 7.877,1117 27.784,1118 3.183,1119 17.164,1120 21.593,1121 12.189,1122 34.852,1123 16.133,1124 1.969,1125 7.129,1126 29.677,1127 2.963,1128 18.317,1129 23.102,1130 13.037,1131 37.315,1132 17.21,1133 15728,1134 27464,1135 26.065,1136 39.449,1137 60.315,1138 61.233,1139 61.421,1140 59.885,1141 59.747,1142 73.062,1143 14.982,1144 176.032,1145 55.187,1146 5.716,1147 5.814,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 18.04,1156 1.547,1157 1.57,1158 1.575,1159 1.536,1160 1.532,1161 1.873,1162 0.384,1163 4.514,1164 1.415,1165 4.141,1166 4.188,1167 4.122,1168 3.999,1169 8.362,1170 4.022,1171 3.911,1172 3.974,1173 3.852,1174 3.698,1175 7.999,1176 3.727,1177 3.798,1178 3.859,1179 3.714,1180 3.576,1181 7.427,1182 3.602,1183 3.652,1184 3.712,1185 3.559,1186 3.435,1187 5.122,1188 3.457,1189 3.542,1190 3.608,1191 3.45,1192 3.352,1193 4.99,1194 3.364,1195 3.446,1196 3.506,1197 3.364,1198 3.211,1199 4.91,1200 3.243,1201 3.111,1202 3.206,1203 3.003,1204 2.941,1205 4.607,1206 2.91,1207 3.111,1208 3.206,1209 2.902,1210 2.941,1211 4.315,1212 2.91,1213 0.121,1214 0.098,1215 0.18,1216 0.109,1217 0.085,1218 4.716,1219 0.119,1220 3.814,1221 0.061,1222 7.005,1223 0.307,1224 4.242,1225 0.079,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.015,1234 2.092,1235 1.281,1236 2.062,1237 1.815,1238 1.752,1239 1.979,1240 2.004,1241 1.196,1242 2.002,1243 1.727,1244 1.667,1245 1.92,1246 1.964,1247 1.118,1248 1.955,1249 1.597,1250 1.54,1251 1.812,1252 1.847,1253 0.95,1254 1.825,1255 1.532,1256 1.465,1257 1.651,1258 1.778,1259 0.825,1260 1.765,1261 1.343,1262 1.283,1263 1.513,1264 1.624,1265 0.825,1266 1.575,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.736,1272 1.429,1273 1.153,1274 1.064,1275 1.434,1276 1.376,1277 0.481,1278 1.429,1279 4.369,1281 5.714,1282 2.398,1283 7.256,1284 4.844,1285 8.885,1286 7.066,1287 10.56,1289 1.664,1291 28.012,1293 5.75,1295 4.079,1297 5.447,1299 -3.386,1300 5.598,1305 38.657,1306 110.141,1307 221.902,1308 278.631,1309 306.405,1310 318.405,1311 320.405,1312 72.495,1313 8.31,1314 118.53,1315 118.53,1316 29,1317 12.975,1318 4.17,1319 3.322,1320 51.752,1321 142,1322 159,1323 0.176,1324 232.953,1325 402.26,1326 560.166,1327 45511,1328 3.2,1329 24.526,1330 0.701,1331 0.553,1332 22.949,1333 19.348,1334 16.919,1335 0.434,1336 0.296,1337 11.27,1338 15.838,1339 11.135,1340 9.07,1341 16.008,1342 11.561,1343 15.593,1344 0.278,1345 0.152,1346 14.662,1347 8.531,1348 13.343,1349 0.173,1350 0.08,1351 12.749,1352 6.14,1353 11.107,1354 0.107,1355 0.041,1356 10.738,1357 4.306,1358 9.512,1359 0.068,1360 0.021,1361 8.86,1362 2.96,1363 0.271,1364 108.968,1365 0.196,1366 31.548,1367 0.505,1368 190,1369 708.166,1370 223.553,1371 614.877,1372 827.28,1373 578,1374 228,1375 594.85,1376 262.116,1377 582.887,1378 879.32,1379 549,1380 5.271}
{0 CHEMBL2322663,1 1.776,2 11.114,3 2.52,4 6.349,5 126.687,6 7.864,7 0.41,8 4.262,9 4.396,10 3.87,11 3.667,12 5.366,13 3.697,14 4.861,15 5.061,16 4.278,17 4.071,18 6.096,19 4.085,20 5.08,21 5.305,22 4.357,23 4.232,24 6.225,25 4.216,26 5.141,27 5.372,28 4.357,29 4.243,30 6.282,31 4.23,32 5.11,33 5.338,34 4.387,35 4.223,36 6.359,37 4.216,38 5.152,39 5.397,40 4.382,41 4.218,42 6.28,43 4.222,44 5.143,45 5.382,46 4.376,47 4.283,48 6.285,49 4.257,50 5.201,51 5.411,52 4.357,53 4.41,54 6.216,55 4.343,56 0.184,57 1.121,58 12.109,59 4.565,60 22.134,61 6.513,62 0.97,63 1.815,64 27.289,65 7.915,66 89.309,67 11.148,68 1.061,69 1.944,70 35.269,71 9.093,72 83.809,73 14.737,74 1.048,75 2.101,76 38.136,77 10.034,78 105.422,79 15.016,80 1.144,81 2.16,82 36.541,83 8.963,84 113.421,85 14.402,86 1.026,87 2.272,88 39.186,89 9.232,90 84.436,91 14.364,92 1.445,93 2.167,94 38.97,95 9.76,96 97.916,97 15.165,98 0.671,99 2.392,100 37.435,101 14.006,102 73.327,103 19.453,104 31,105 56,106 0.285,107 0.575,108 0.721,109 0.793,110 0.824,111 0.83,112 3.589,113 0.889,114 -4.34,115 -4.27,116 -4.03,119 35.5,120 1,125 8,127 1,128 1,142 4,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 3,174 11,175 2,180 1,183 2,185 1,186 2,187 6,189 2,190 2,195 1,198 8,199 4,211 5,212 4,223 3,224 6,226 1,227 1,236 8,237 6,250 5,252 2,253 2,262 5,263 2,275 2254,276 23.637,277 23.637,278 23.637,279 23.637,280 23.637,281 21.815,282 34.492,283 13.801,284 24.611,285 19.25,286 19.25,287 19.25,288 19.25,289 19.25,290 16.215,291 50.9,292 6.538,293 20.864,294 4.178,295 2.375,296 1.46,297 1.012,298 0.819,299 0.786,300 4.294,305 1,306 846,307 3.742,310 75.225,311 422.936,314 144.07,318 1.603,319 53.947,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 79.5,331 389,332 4.716,333 3.814,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.323,344 3.926,345 2.998,346 3.893,347 1.984,348 9.663,349 2.823,350 4.064,351 3.248,352 6.262,353 3.833,354 2.889,355 3.236,356 0.86,357 9.186,358 2.685,359 3.783,360 3.035,361 6.01,362 3.569,363 2.652,364 3.183,365 0.8,366 8.591,367 2.423,368 3.773,369 3.004,370 5.857,371 3.377,372 2.441,373 2.963,374 0.8,375 7.877,376 2.277,377 3.511,378 2.514,379 5.587,380 3.193,381 2.297,382 2.749,383 0.596,384 7.129,385 2.049,386 3.118,387 2.317,388 4.913,389 2.904,390 1.969,391 2.273,392 0.076,393 5.346,394 1.831,395 2.971,396 2.266,397 4.721,398 2.693,399 1.793,400 2.113,402 4.838,403 1.611,404 2.928,405 1.881,406 4.407,407 2.46,408 1.512,409 2.039,411 4.135,412 1.432,413 2.856,414 1.766,415 4.215,416 2.421,417 1.478,418 1.924,420 3.691,421 1.387,422 2.527,423 1.63,424 4.002,425 2.238,426 1.31,427 1.526,428 3.217,429 1.209,430 2.319,431 1.386,432 3.587,433 1.967,434 1.064,435 1.28,436 2.621,437 0.965,438 2.197,439 1.308,440 3.491,441 1.952,442 1,443 1.167,445 2.519,446 0.946,447 2.068,448 1.3,449 3.414,450 1.938,451 1,452 1,454 2.275,455 0.923,456 2,457 1.256,458 3.288,459 1.852,460 1,461 1,463 2.136,464 0.836,465 15.838,466 0.453,467 0.925,468 0.026,469 42.5,470 1.214,471 16.5,472 0.471,473 26,474 0.743,475 34.052,476 0.973,477 39.962,478 0.645,479 37.427,480 1.069,481 8.419,482 0.241,483 8.5,484 0.243,485 0.114,487 0.385,489 2,493 0.732,494 1.535,495 0.701,496 1.354,497 0.607,498 1.072,499 0.838,500 0.877,501 0.847,502 0.883,503 0.617,504 0.868,505 0.713,506 0.868,507 0.845,508 0.927,509 0.573,510 0.918,511 0.982,512 0.995,513 0.96,514 0.955,515 1.072,516 0.947,517 0.844,518 1.061,519 0.917,520 0.978,521 0.856,522 0.96,523 1.119,524 1.263,525 0.966,526 0.971,527 0.946,528 0.905,529 0.818,530 0.676,531 0.986,532 0.731,533 0.753,534 0.857,535 0.707,536 1.253,537 1.003,538 1.467,539 0.651,540 1.357,541 6.5,542 0.313,543 4.222,544 2.542,545 2.024,546 1.399,547 1.166,548 0.734,549 0.417,550 0.363,551 16568,552 49754,553 2.106,554 43.5,556 21,557 1,559 2,561 3,564 1.776,565 1.963,566 3.398,567 0.304,569 1,573 110.141,574 1.776,575 3.579,576 4.494,577 4.942,578 5.136,579 5.168,580 2.843,581 4.672,582 5.098,583 3.614,584 2150.14,585 9.001,586 32511.8,591 369.16,592 1.438,593 5.057,594 0.167,595 0.009,596 0.075,597 0.042,598 0.034,599 0.023,600 0.019,601 0.012,602 0.007,603 0.008,604 0.398,605 0.17,606 0.63,607 0.93,608 185.776,609 -0.078,610 -0.393,611 0.062,612 -0.212,613 -0.069,614 -0.063,615 0.094,616 0.184,617 0.06,618 0.104,619 0.128,620 0.07,621 0.069,622 0.029,623 0.069,624 0.04,625 0.08,626 0.049,627 -0.102,628 -0.079,629 -0.018,630 -0.007,631 -0.122,632 0.004,633 0.051,634 -0.06,635 0.023,636 -0.03,637 0.035,638 -0.018,639 -0.154,640 -0.196,641 0.007,642 -0.038,643 -0.054,644 0.03,645 0.109,646 0.37,647 -0.034,648 0.217,649 0.056,650 0.084,651 -0.011,652 -0.24,653 -0.132,654 -0.35,655 0.004,656 -0.293,657 4.151,658 6.006,659 0.771,660 35.966,661 1.023,662 1.157,663 3.107,664 9.653,665 0.636,666 3.689,667 4.043,668 4.357,669 4.654,670 4.942,671 5.088,672 5.318,673 5.501,674 5.628,675 5.781,676 6.87,677 0.623,678 487.58,679 3.689,680 5.252,681 6.125,682 7.022,683 7.917,684 8.822,685 9.727,686 10.638,687 11.548,688 12.462,689 14.5,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 62,733 17,734 1,735 39,737 66,738 22,739 10,740 2,741 4,745 1,746 5,747 6,752 2,758 1,761 11,762 11,766 1,771 1,775 1,779 2,781 27,782 12,783 2,784 13,787 1,790 9,794 0.8,795 2,811 1,812 4,815 1,827 1,833 1,839 1,840 4,844 1,846 2,848 35,849 1,854 8,856 1,858 2,859 3,869 2,870 3.2,873 1,874 1,877 17.833,878 11.302,879 7.583,880 3.777,881 3.267,882 1.393,883 0.991,884 6.894,885 11.577,886 3.892,887 4.474,888 5.087,889 5.704,890 6.286,891 6.7,892 7.191,893 7.654,894 7.951,895 8.317,896 1,897 60,898 13.173,900 5.861,901 7.981,902 24.479,904 20.355,905 2.481,906 86.833,910 294.278,911 93.682,912 111.311,914 36.145,915 29.92,917 93.682,918 330.422,919 141.232,920 8.825,921 57.84,922 46.02,923 110.32,924 40.212,925 19.613,926 282.506,928 294.278,929 204.993,930 66.065,933 258.964,934 90.378,935 11,936 8.115,937 78.734,938 51.002,939 67.142,941 324.198,942 147.456,943 93.682,946 302.392,947 38.837,948 58.002,950 166.104,951 294.278,952 177.376,953 93.682,955 0.588,956 0.349,957 0.188,958 0.108,959 28,960 13,961 0.061,962 4,963 1,964 1.074,965 4.372,966 354.824,967 0.074,968 27,969 167.525,974 23.952,975 10.075,976 4.844,977 0.918,978 175.477,979 6.896,980 17.987,984 0.404,985 1.297,986 32.897,987 565.336,988 48,993 12.278,997 -0.11,999 63.432,1000 71.735,1001 0.298,1002 0.601,1003 0.755,1004 0.83,1005 0.863,1006 0.868,1007 5.165,1008 1.793,1009 6.125,1010 5.346,1011 4.727,1012 5.162,1013 3.011,1014 6.976,1015 4.574,1016 6.358,1017 1.512,1018 7.71,1019 4.838,1020 4.369,1021 5.017,1022 2.733,1023 7.958,1024 4.129,1025 7.668,1026 1.478,1027 9.398,1028 4.135,1029 6.358,1030 7.345,1031 4.115,1032 11.091,1033 6.057,1034 9.016,1035 1.31,1036 11.145,1037 3.691,1038 6.825,1039 8.076,1040 4.527,1041 12.916,1042 6.443,1043 10.401,1044 1.064,1045 12.931,1046 3.217,1047 8.294,1048 9.907,1049 5.58,1050 15.573,1051 7.848,1052 11.813,1053 1,1054 14.742,1055 2.621,1056 9.133,1057 11.051,1058 6.244,1059 17.754,1060 8.61,1061 13.247,1062 1,1063 16.573,1064 2.519,1065 10.401,1066 12.689,1067 7.172,1068 20.261,1069 9.811,1070 3.317,1071 1,1072 18.418,1073 2.275,1074 11.413,1075 14.035,1076 7.939,1077 22.601,1078 10.748,1079 2.998,1080 11.982,1081 20.275,1082 2.136,1083 12.605,1084 15.598,1085 8.818,1086 25.067,1087 11.87,1088 2.889,1089 9.663,1090 22.141,1091 4.642,1092 13.698,1093 17.04,1094 9.633,1095 27.479,1096 12.888,1097 2.652,1098 9.186,1099 24.015,1100 3.893,1101 14.867,1102 18.577,1103 10.495,1104 29.94,1105 13.985,1106 2.441,1107 8.591,1108 25.896,1109 3.236,1110 15.999,1111 20.064,1112 11.331,1113 32.386,1114 15.042,1115 2.297,1116 7.877,1117 27.784,1118 3.183,1119 17.164,1120 21.593,1121 12.189,1122 34.852,1123 16.133,1124 1.969,1125 7.129,1126 29.677,1127 2.963,1128 18.317,1129 23.102,1130 13.037,1131 37.315,1132 17.21,1133 15728,1134 27464,1135 26.065,1136 39.449,1137 60.315,1138 61.233,1139 61.421,1140 59.885,1141 59.747,1142 73.062,1143 14.982,1144 176.032,1145 55.187,1146 5.716,1147 5.814,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 18.04,1156 1.547,1157 1.57,1158 1.575,1159 1.536,1160 1.532,1161 1.873,1162 0.384,1163 4.514,1164 1.415,1165 4.141,1166 4.188,1167 4.122,1168 3.999,1169 8.362,1170 4.022,1171 3.911,1172 3.974,1173 3.852,1174 3.698,1175 7.999,1176 3.727,1177 3.798,1178 3.859,1179 3.714,1180 3.576,1181 7.427,1182 3.602,1183 3.652,1184 3.712,1185 3.559,1186 3.435,1187 5.122,1188 3.457,1189 3.542,1190 3.608,1191 3.45,1192 3.352,1193 4.99,1194 3.364,1195 3.446,1196 3.506,1197 3.364,1198 3.211,1199 4.91,1200 3.243,1201 3.111,1202 3.206,1203 3.003,1204 2.941,1205 4.607,1206 2.91,1207 3.111,1208 3.206,1209 2.902,1210 2.941,1211 4.315,1212 2.91,1213 0.121,1214 0.098,1215 0.18,1216 0.109,1217 0.085,1218 4.716,1219 0.119,1220 3.814,1221 0.061,1222 7.005,1223 0.307,1224 4.242,1225 0.079,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.015,1234 2.092,1235 1.281,1236 2.062,1237 1.815,1238 1.752,1239 1.979,1240 2.004,1241 1.196,1242 2.002,1243 1.727,1244 1.667,1245 1.92,1246 1.964,1247 1.118,1248 1.955,1249 1.597,1250 1.54,1251 1.812,1252 1.847,1253 0.95,1254 1.825,1255 1.532,1256 1.465,1257 1.651,1258 1.778,1259 0.825,1260 1.765,1261 1.343,1262 1.283,1263 1.513,1264 1.624,1265 0.825,1266 1.575,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.736,1272 1.429,1273 1.153,1274 1.064,1275 1.434,1276 1.376,1277 0.481,1278 1.429,1279 4.369,1281 5.714,1282 2.398,1283 7.256,1284 4.844,1285 8.885,1286 7.066,1287 10.56,1289 1.664,1291 28.012,1293 5.75,1295 4.079,1297 5.447,1299 -3.386,1300 5.598,1305 38.657,1306 110.141,1307 221.902,1308 278.631,1309 306.405,1310 318.405,1311 320.405,1312 72.495,1313 8.31,1314 118.53,1315 118.53,1316 29,1317 12.975,1318 4.17,1319 3.322,1320 51.752,1321 142,1322 159,1323 0.176,1324 232.953,1325 402.26,1326 560.166,1327 45511,1328 3.2,1329 24.526,1330 0.701,1331 0.553,1332 22.949,1333 19.348,1334 16.919,1335 0.434,1336 0.296,1337 11.27,1338 15.838,1339 11.135,1340 9.07,1341 16.008,1342 11.561,1343 15.593,1344 0.278,1345 0.152,1346 14.662,1347 8.531,1348 13.343,1349 0.173,1350 0.08,1351 12.749,1352 6.14,1353 11.107,1354 0.107,1355 0.041,1356 10.738,1357 4.306,1358 9.512,1359 0.068,1360 0.021,1361 8.86,1362 2.96,1363 0.271,1364 108.968,1365 0.196,1366 31.548,1367 0.505,1368 190,1369 708.166,1370 223.553,1371 614.877,1372 827.28,1373 578,1374 228,1375 594.85,1376 262.116,1377 582.887,1378 879.32,1379 549,1380 5.432}
{0 CHEMBL2322664,1 1.716,2 14.293,3 4.076,4 16.611,5 151.306,6 7.829,7 0.478,8 4.404,9 4.532,10 4.013,11 3.864,12 5.504,13 3.879,14 4.988,15 5.176,16 4.407,17 4.27,18 6.197,19 4.266,20 5.228,21 5.45,22 4.482,23 4.428,24 6.33,25 4.391,26 5.297,27 5.528,28 4.49,29 4.43,30 6.409,31 4.397,32 5.286,33 5.517,34 4.543,35 4.413,36 6.517,37 4.396,38 5.327,39 5.565,40 4.55,41 4.424,42 6.466,43 4.419,44 5.329,45 5.56,46 4.535,47 4.504,48 6.456,49 4.462,50 5.41,51 5.631,52 4.495,53 4.617,54 6.376,55 4.528,56 0.143,57 1.296,58 13.861,59 5.809,60 20.991,61 7.732,62 0.925,63 2.148,64 30.032,65 9.986,66 88.22,67 13.266,68 1.017,69 2.368,70 40.356,71 12.122,72 85.119,73 18.148,74 0.979,75 2.519,76 44.233,77 13.044,78 102.115,79 18.646,80 1.171,81 2.605,82 43.794,83 11.731,84 125.786,85 17.729,86 1.051,87 2.749,88 46.349,89 12.06,90 99.227,91 17.39,92 1.508,93 2.694,94 46.074,95 12.997,96 111.682,97 18.903,98 0.671,99 2.889,100 47.243,101 17.991,102 81.345,103 24.764,104 18,105 65,106 0.265,107 0.561,108 0.696,109 0.791,110 0.833,111 0.837,112 3.742,113 0.891,114 -5.33,115 -5.22,116 -4.88,119 38.9,121 1,125 8,127 1,128 1,142 9,143 1,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 10,174 11,175 2,180 1,183 10,185 1,186 2,187 6,189 2,190 2,192 1,195 6,197 1,198 8,199 6,204 2,207 1,209 2,211 5,212 8,217 2,222 2,223 3,224 10,226 1,227 1,229 1,234 1,236 8,237 9,250 7,252 2,253 2,262 5,263 6,275 3699,276 28.068,277 28.068,278 28.068,279 28.068,280 28.068,281 25.494,282 36.709,283 16.616,284 29.033,285 22.743,286 22.743,287 22.743,288 22.743,289 22.743,290 18.681,291 52.001,292 7.93,293 24.353,294 4.454,295 2.535,296 1.665,297 1.05,298 0.778,299 0.75,300 4.456,306 1299,307 3.937,310 94.04,311 679.746,314 178.789,318 2.125,319 57.571,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 91.5,331 586,332 4.716,333 3.828,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.356,344 3.952,345 3.008,346 3.893,347 1.984,348 9.677,349 2.879,350 4.115,351 3.248,352 6.287,353 3.858,354 2.921,355 3.475,356 0.86,357 9.413,358 2.695,359 3.871,360 3.035,361 6.013,362 3.597,363 2.674,364 3.221,365 0.8,366 8.614,367 2.499,368 3.781,369 3.006,370 5.857,371 3.47,372 2.493,373 3.181,374 0.8,375 7.878,376 2.399,377 3.768,378 2.749,379 5.588,380 3.375,381 2.439,382 2.963,383 0.596,384 7.196,385 2.276,386 3.511,387 2.509,388 5.427,389 3.19,390 2.291,391 2.749,392 0.076,393 7.102,394 2.048,395 3.141,396 2.301,397 4.95,398 2.917,399 1.974,400 2.282,402 5.512,403 1.852,404 3.018,405 2.264,406 4.732,407 2.702,408 1.799,409 2.17,411 4.905,412 1.622,413 2.934,414 1.909,415 4.41,416 2.468,417 1.522,418 2.106,420 4.135,421 1.444,422 2.861,423 1.767,424 4.229,425 2.452,426 1.487,427 1.971,428 3.755,429 1.431,430 2.848,431 1.63,432 4.003,433 2.405,434 1.43,435 1.913,436 3.223,437 1.38,438 2.525,439 1.462,440 3.675,441 2.222,442 1.29,443 1.525,445 3.046,446 1.196,447 2.5,448 1.386,449 3.587,450 2,451 1.064,452 1.5,454 2.621,455 1,456 2.32,457 1.308,458 3.491,459 1.967,460 1,461 1.28,463 2.519,464 0.965,465 18.838,466 0.459,467 0.956,468 0.023,469 52,470 1.268,471 22.5,472 0.549,473 29.5,474 0.72,475 39.926,476 0.974,477 45.362,478 0.63,479 46.818,480 1.142,481 10.389,482 0.253,483 9.586,484 0.234,485 0.069,487 0.35,489 2,493 0.717,494 1.409,495 0.707,496 1.235,497 0.601,498 1.014,499 0.833,500 0.878,501 0.893,502 0.921,503 0.633,504 0.921,505 0.692,506 0.876,507 0.876,508 0.964,509 0.576,510 0.963,511 0.945,512 1.012,513 0.957,514 0.997,515 1.047,516 0.98,517 0.882,518 1.04,519 0.911,520 0.954,521 0.921,522 0.931,523 1.215,524 1.197,525 1,526 0.936,527 1.1,528 0.894,529 0.878,530 0.721,531 1.052,532 0.82,533 0.864,534 0.936,535 0.696,536 1.178,537 1.025,538 1.377,539 0.661,540 1.311,541 7,542 0.313,543 4.444,544 2.854,545 2.335,546 1.628,547 1.309,548 0.762,549 0.449,550 0.425,551 28579,552 79862,553 2.147,554 43.1,556 26,557 1,559 2,561 2,564 1.809,565 2.033,566 3.71,567 0.21,573 123.519,574 1.716,575 3.635,576 4.504,577 5.12,578 5.392,579 5.42,580 3.153,581 4.851,582 5.325,583 3.951,584 3239.5,585 9.432,586 56310.4,591 444.235,592 1.325,593 5.3,594 0.152,595 0.007,596 0.068,597 0.041,598 0.034,599 0.023,600 0.018,601 0.011,602 0.007,603 0.008,604 0.37,605 0.17,606 0.63,607 0.589,608 231.724,609 -0.06,610 -0.303,611 0.062,612 -0.148,613 -0.063,614 -0.036,615 0.11,616 0.194,617 0.007,618 0.062,619 0.116,620 0.01,621 0.09,622 0.025,623 0.045,624 0.002,625 0.075,626 0.005,627 -0.059,628 -0.098,629 -0.002,630 -0.054,631 -0.091,632 -0.026,633 0.064,634 -0.061,635 0.054,636 -0.029,637 0.053,639 -0.163,640 -0.141,641 -0.008,642 -0.021,643 -0.066,644 0.025,645 0.092,646 0.312,647 -0.093,648 0.123,649 0.027,651 -0.002,652 -0.234,653 -0.123,654 -0.317,655 -0.002,656 -0.267,657 4.163,658 6.144,659 0.805,660 50.989,661 1.017,662 1.147,663 4.103,664 16.834,665 0.652,666 3.85,667 4.19,668 4.5,669 4.796,670 5.075,671 5.193,672 5.412,673 5.595,674 5.73,675 5.886,676 8.389,677 0.635,678 563.68,679 3.85,680 5.407,681 6.275,682 7.165,683 8.052,684 8.951,685 9.848,686 10.752,687 11.656,688 12.564,689 12.5,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,726 2,731 72,733 23,734 2,735 46,737 77,738 28,739 16,740 3,741 9,745 1,746 6,747 7,752 1,758 2,761 17,762 11,766 1,771 1,775 1,779 2,781 31,782 12,783 2,784 13,787 1,790 9,794 0.833,795 2,811 1,812 5,815 1,827 1,833 1,839 1,840 5,846 2,848 41,849 1,854 9,856 1,858 2,859 3,869 2,870 2.8,873 1,874 1,877 20.167,878 12.719,879 8.917,880 4.347,881 3.885,882 1.441,883 1.007,884 8.173,885 12.691,886 4.078,887 4.656,888 5.256,889 5.86,890 6.429,891 6.771,892 7.244,893 7.697,894 7.989,895 8.345,896 1,897 69,898 15.425,900 6.86,901 7.89,902 28.899,904 24.178,905 2.39,906 98,910 341.362,911 137.958,912 111.311,914 36.145,915 29.92,917 137.958,918 377.507,919 141.232,921 60.375,922 93.401,923 110.32,924 43.398,925 19.613,926 329.591,928 341.362,929 249.27,930 66.065,933 317.82,934 78.607,935 11,936 8.115,937 72.443,938 101.569,939 67.142,941 371.282,942 147.456,943 137.958,946 349.477,947 44.557,948 96.558,950 166.104,951 341.362,952 177.376,953 137.958,955 0.583,956 0.345,957 0.191,958 0.109,959 32,960 14,961 0.078,962 6,963 1,964 1.061,965 4.968,966 435.233,967 0.061,968 33,969 202.905,974 27.616,975 12.134,976 5.926,977 0.91,978 175.477,979 16.607,980 18.168,984 1.392,985 1.303,986 32.897,987 656.697,988 58,993 13.083,997 -0.106,999 73.199,1000 82.565,1001 0.278,1002 0.589,1003 0.73,1004 0.83,1005 0.874,1006 0.878,1007 5.335,1008 1.974,1009 6.26,1010 7.102,1011 4.875,1012 5.345,1013 3.011,1014 7.093,1015 4.744,1016 6.521,1017 1.799,1018 7.829,1019 5.512,1020 4.443,1021 5.103,1022 2.733,1023 8.028,1024 4.221,1025 7.821,1026 1.522,1027 9.502,1028 4.905,1029 6.485,1030 7.51,1031 4.115,1032 11.168,1033 6.224,1034 9.158,1035 1.487,1036 11.236,1037 4.135,1038 6.899,1039 8.151,1040 4.527,1041 12.967,1042 6.547,1043 10.532,1044 1.43,1045 13.011,1046 3.755,1047 8.395,1048 10.031,1049 5.58,1050 15.624,1051 8,1052 11.933,1053 1.29,1054 14.813,1055 3.223,1056 9.2,1057 11.11,1058 6.244,1059 17.79,1060 8.718,1061 13.355,1062 1.064,1063 16.636,1064 3.046,1065 10.48,1066 12.773,1067 7.172,1068 20.295,1069 9.945,1070 3.317,1071 1,1072 18.474,1073 2.621,1074 11.472,1075 14.077,1076 7.939,1077 22.626,1078 10.855,1079 3.008,1080 11.982,1081 20.325,1082 2.519,1083 12.667,1084 15.65,1085 8.818,1086 25.09,1087 11.99,1088 2.921,1089 9.677,1090 22.186,1091 4.642,1092 13.749,1093 17.068,1094 9.633,1095 27.497,1096 12.992,1097 2.674,1098 9.413,1099 24.056,1100 3.893,1101 14.917,1102 18.607,1103 10.495,1104 29.956,1105 14.093,1106 2.493,1107 8.614,1108 25.934,1109 3.475,1110 16.042,1111 20.081,1112 11.331,1113 32.399,1114 15.14,1115 2.439,1116 7.878,1117 27.818,1118 3.221,1119 17.205,1120 21.61,1121 12.189,1122 34.863,1123 16.232,1124 2.291,1125 7.196,1126 29.709,1127 3.181,1128 18.353,1129 23.113,1130 13.037,1131 37.324,1132 17.303,1133 26410,1134 44447,1135 31.323,1136 46.972,1137 70.48,1138 71.214,1139 71.313,1140 69.928,1141 69.793,1142 87.267,1143 14.982,1144 202.298,1145 65.242,1146 5.716,1147 5.828,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 17.567,1156 1.532,1157 1.548,1158 1.55,1159 1.52,1160 1.517,1161 1.897,1162 0.326,1163 4.398,1164 1.418,1165 4.143,1166 4.19,1167 4.123,1168 4.001,1169 8.362,1170 4.023,1171 3.953,1172 3.999,1173 3.881,1174 3.87,1175 7.999,1176 3.864,1177 3.881,1178 3.932,1179 3.823,1180 3.685,1181 7.427,1182 3.714,1183 3.784,1184 3.845,1185 3.693,1186 3.569,1187 5.123,1188 3.592,1189 3.631,1190 3.685,1191 3.548,1192 3.42,1193 4.987,1194 3.445,1195 3.52,1196 3.58,1197 3.443,1198 3.339,1199 4.91,1200 3.351,1201 3.44,1202 3.502,1203 3.356,1204 3.211,1205 4.735,1206 3.242,1207 3.111,1208 3.206,1209 3.006,1210 2.941,1211 4.607,1212 2.91,1213 0.103,1214 0.083,1215 0.152,1216 0.092,1217 0.072,1218 4.716,1219 0.101,1220 3.828,1221 0.052,1222 7.005,1223 0.26,1224 4.242,1225 0.067,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.928,1232 1.897,1233 2.059,1234 2.094,1235 1.29,1236 2.066,1237 1.923,1238 1.893,1239 2.014,1240 2.029,1241 1.206,1242 2.032,1243 1.808,1244 1.746,1245 1.968,1246 1.984,1247 1.195,1248 1.988,1249 1.719,1250 1.659,1251 1.918,1252 1.952,1253 1.118,1254 1.947,1255 1.586,1256 1.531,1257 1.715,1258 1.836,1259 0.864,1260 1.799,1261 1.492,1262 1.435,1263 1.647,1264 1.724,1265 0.825,1266 1.712,1267 1.34,1268 1.281,1269 1.513,1270 1.616,1271 0.825,1272 1.571,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.736,1278 1.429,1279 4.533,1281 5.866,1282 2.398,1283 7.399,1284 4.844,1285 9.018,1286 7.066,1287 10.682,1291 28.288,1293 6.263,1295 4.41,1297 5.484,1299 -3.466,1300 5.665,1305 45.71,1306 123.519,1307 261.718,1308 324.321,1309 368.625,1310 388.235,1311 390.235,1312 84.278,1313 8.806,1314 118.53,1315 118.53,1316 35,1317 13.081,1318 4.585,1319 3.7,1320 59.259,1321 201,1322 249,1323 0.138,1324 274.332,1325 474.88,1326 661.13,1327 91418,1328 2.8,1329 28.346,1330 0.691,1331 0.547,1332 26.769,1333 22.442,1334 19.974,1335 0.434,1336 0.297,1337 13.365,1338 18.898,1339 13.222,1340 10.777,1341 19.064,1342 13.656,1343 18.066,1344 0.278,1345 0.154,1346 17.135,1347 10.038,1348 15.619,1349 0.175,1350 0.083,1351 15.025,1352 7.366,1353 13.191,1354 0.11,1355 0.043,1356 12.822,1357 5.207,1358 11.225,1359 0.071,1360 0.023,1361 10.573,1362 3.584,1363 0.218,1364 127.302,1365 0.179,1366 36.469,1367 0.379,1368 222,1369 772.166,1370 255.553,1371 682.011,1372 922.95,1373 642,1374 265,1375 665.85,1376 299.282,1377 657.439,1378 986.82,1379 620,1380 4.921}
{0 CHEMBL2322665,1 1.716,2 14.293,3 4.076,4 16.611,5 151.306,6 7.829,7 0.478,8 4.404,9 4.532,10 4.013,11 3.864,12 5.504,13 3.879,14 4.988,15 5.176,16 4.407,17 4.27,18 6.197,19 4.266,20 5.228,21 5.45,22 4.482,23 4.428,24 6.33,25 4.391,26 5.297,27 5.528,28 4.49,29 4.43,30 6.409,31 4.397,32 5.286,33 5.517,34 4.543,35 4.413,36 6.517,37 4.396,38 5.327,39 5.565,40 4.55,41 4.424,42 6.466,43 4.419,44 5.329,45 5.56,46 4.535,47 4.504,48 6.456,49 4.462,50 5.41,51 5.631,52 4.495,53 4.617,54 6.376,55 4.528,56 0.143,57 1.296,58 13.861,59 5.809,60 20.991,61 7.732,62 0.925,63 2.148,64 30.032,65 9.986,66 88.22,67 13.266,68 1.017,69 2.368,70 40.356,71 12.122,72 85.119,73 18.148,74 0.979,75 2.519,76 44.233,77 13.044,78 102.115,79 18.646,80 1.171,81 2.605,82 43.794,83 11.731,84 125.786,85 17.729,86 1.051,87 2.749,88 46.349,89 12.06,90 99.227,91 17.39,92 1.508,93 2.694,94 46.074,95 12.997,96 111.682,97 18.903,98 0.671,99 2.889,100 47.243,101 17.991,102 81.345,103 24.764,104 18,105 65,106 0.265,107 0.561,108 0.696,109 0.791,110 0.833,111 0.837,112 3.742,113 0.891,114 -5.33,115 -5.22,116 -4.88,119 38.9,121 1,125 8,127 1,128 1,142 9,143 1,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 10,174 11,175 2,180 1,183 10,185 1,186 2,187 6,189 2,190 2,192 1,195 6,197 1,198 8,199 6,204 2,207 1,209 2,211 5,212 8,217 2,222 2,223 3,224 10,226 1,227 1,229 1,234 1,236 8,237 9,250 7,252 2,253 2,262 5,263 6,275 3699,276 28.068,277 28.068,278 28.068,279 28.068,280 28.068,281 25.494,282 36.709,283 16.616,284 29.033,285 22.743,286 22.743,287 22.743,288 22.743,289 22.743,290 18.681,291 52.001,292 7.93,293 24.353,294 4.454,295 2.535,296 1.665,297 1.05,298 0.778,299 0.75,300 4.456,306 1299,307 3.937,310 94.04,311 679.746,314 178.789,318 2.125,319 57.571,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 91.5,331 586,332 4.716,333 3.828,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.356,344 3.952,345 3.008,346 3.893,347 1.984,348 9.677,349 2.879,350 4.115,351 3.248,352 6.287,353 3.858,354 2.921,355 3.475,356 0.86,357 9.413,358 2.695,359 3.871,360 3.035,361 6.013,362 3.597,363 2.674,364 3.221,365 0.8,366 8.614,367 2.499,368 3.781,369 3.006,370 5.857,371 3.47,372 2.493,373 3.181,374 0.8,375 7.878,376 2.399,377 3.768,378 2.749,379 5.588,380 3.375,381 2.439,382 2.963,383 0.596,384 7.196,385 2.276,386 3.511,387 2.509,388 5.427,389 3.19,390 2.291,391 2.749,392 0.076,393 7.102,394 2.048,395 3.141,396 2.301,397 4.95,398 2.917,399 1.974,400 2.282,402 5.512,403 1.852,404 3.018,405 2.264,406 4.732,407 2.702,408 1.799,409 2.17,411 4.905,412 1.622,413 2.934,414 1.909,415 4.41,416 2.468,417 1.522,418 2.106,420 4.135,421 1.444,422 2.861,423 1.767,424 4.229,425 2.452,426 1.487,427 1.971,428 3.755,429 1.431,430 2.848,431 1.63,432 4.003,433 2.405,434 1.43,435 1.913,436 3.223,437 1.38,438 2.525,439 1.462,440 3.675,441 2.222,442 1.29,443 1.525,445 3.046,446 1.196,447 2.5,448 1.386,449 3.587,450 2,451 1.064,452 1.5,454 2.621,455 1,456 2.32,457 1.308,458 3.491,459 1.967,460 1,461 1.28,463 2.519,464 0.965,465 18.838,466 0.459,467 0.956,468 0.023,469 52,470 1.268,471 22.5,472 0.549,473 29.5,474 0.72,475 39.926,476 0.974,477 45.362,478 0.63,479 46.818,480 1.142,481 10.389,482 0.253,483 9.586,484 0.234,485 0.069,487 0.35,489 2,493 0.717,494 1.409,495 0.707,496 1.235,497 0.601,498 1.014,499 0.833,500 0.878,501 0.893,502 0.921,503 0.633,504 0.921,505 0.692,506 0.876,507 0.876,508 0.964,509 0.576,510 0.963,511 0.945,512 1.012,513 0.957,514 0.997,515 1.047,516 0.98,517 0.882,518 1.04,519 0.911,520 0.954,521 0.921,522 0.931,523 1.215,524 1.197,525 1,526 0.936,527 1.1,528 0.894,529 0.878,530 0.721,531 1.052,532 0.82,533 0.864,534 0.936,535 0.696,536 1.178,537 1.025,538 1.377,539 0.661,540 1.311,541 7,542 0.313,543 4.444,544 2.854,545 2.335,546 1.628,547 1.309,548 0.762,549 0.449,550 0.425,551 28579,552 79862,553 2.147,554 43.1,556 26,557 1,559 2,561 2,564 1.809,565 2.033,566 3.71,567 0.21,573 123.519,574 1.716,575 3.635,576 4.504,577 5.12,578 5.392,579 5.42,580 3.153,581 4.851,582 5.325,583 3.951,584 3239.5,585 9.432,586 56310.4,591 444.235,592 1.325,593 5.3,594 0.152,595 0.007,596 0.068,597 0.041,598 0.034,599 0.023,600 0.018,601 0.011,602 0.007,603 0.008,604 0.37,605 0.17,606 0.63,607 0.589,608 231.724,609 -0.06,610 -0.303,611 0.062,612 -0.148,613 -0.063,614 -0.036,615 0.11,616 0.194,617 0.007,618 0.062,619 0.116,620 0.01,621 0.09,622 0.025,623 0.045,624 0.002,625 0.075,626 0.005,627 -0.059,628 -0.098,629 -0.002,630 -0.054,631 -0.091,632 -0.026,633 0.064,634 -0.061,635 0.054,636 -0.029,637 0.053,639 -0.163,640 -0.141,641 -0.008,642 -0.021,643 -0.066,644 0.025,645 0.092,646 0.312,647 -0.093,648 0.123,649 0.027,651 -0.002,652 -0.234,653 -0.123,654 -0.317,655 -0.002,656 -0.267,657 4.163,658 6.144,659 0.805,660 50.989,661 1.017,662 1.147,663 4.103,664 16.834,665 0.652,666 3.85,667 4.19,668 4.5,669 4.796,670 5.075,671 5.193,672 5.412,673 5.595,674 5.73,675 5.886,676 8.389,677 0.635,678 563.68,679 3.85,680 5.407,681 6.275,682 7.165,683 8.052,684 8.951,685 9.848,686 10.752,687 11.656,688 12.564,689 12.5,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 9,705 4,709 5,710 1,711 22,726 2,731 72,733 23,734 2,735 46,737 77,738 28,739 16,740 3,741 9,745 1,746 6,747 7,752 1,758 2,761 17,762 11,766 1,771 1,775 1,779 2,781 31,782 12,783 2,784 13,787 1,790 9,794 0.833,795 2,811 1,812 5,815 1,827 1,833 1,839 1,840 5,846 2,848 41,849 1,854 9,856 1,858 2,859 3,869 2,870 2.8,873 1,874 1,877 20.167,878 12.719,879 8.917,880 4.347,881 3.885,882 1.441,883 1.007,884 8.173,885 12.691,886 4.078,887 4.656,888 5.256,889 5.86,890 6.429,891 6.771,892 7.244,893 7.697,894 7.989,895 8.345,896 1,897 69,898 15.425,900 6.86,901 7.89,902 28.899,904 24.178,905 2.39,906 98,910 341.362,911 137.958,912 111.311,914 36.145,915 29.92,917 137.958,918 377.507,919 141.232,921 60.375,922 93.401,923 110.32,924 43.398,925 19.613,926 329.591,928 341.362,929 249.27,930 66.065,933 317.82,934 78.607,935 11,936 8.115,937 72.443,938 101.569,939 67.142,941 371.282,942 147.456,943 137.958,946 349.477,947 44.557,948 96.558,950 166.104,951 341.362,952 177.376,953 137.958,955 0.583,956 0.345,957 0.191,958 0.109,959 32,960 14,961 0.078,962 6,963 1,964 1.061,965 4.968,966 435.233,967 0.061,968 33,969 202.905,974 27.616,975 12.134,976 5.926,977 0.91,978 175.477,979 16.607,980 18.168,984 1.392,985 1.303,986 32.897,987 656.697,988 58,993 13.083,997 -0.106,999 73.199,1000 82.565,1001 0.278,1002 0.589,1003 0.73,1004 0.83,1005 0.874,1006 0.878,1007 5.335,1008 1.974,1009 6.26,1010 7.102,1011 4.875,1012 5.345,1013 3.011,1014 7.093,1015 4.744,1016 6.521,1017 1.799,1018 7.829,1019 5.512,1020 4.443,1021 5.103,1022 2.733,1023 8.028,1024 4.221,1025 7.821,1026 1.522,1027 9.502,1028 4.905,1029 6.485,1030 7.51,1031 4.115,1032 11.168,1033 6.224,1034 9.158,1035 1.487,1036 11.236,1037 4.135,1038 6.899,1039 8.151,1040 4.527,1041 12.967,1042 6.547,1043 10.532,1044 1.43,1045 13.011,1046 3.755,1047 8.395,1048 10.031,1049 5.58,1050 15.624,1051 8,1052 11.933,1053 1.29,1054 14.813,1055 3.223,1056 9.2,1057 11.11,1058 6.244,1059 17.79,1060 8.718,1061 13.355,1062 1.064,1063 16.636,1064 3.046,1065 10.48,1066 12.773,1067 7.172,1068 20.295,1069 9.945,1070 3.317,1071 1,1072 18.474,1073 2.621,1074 11.472,1075 14.077,1076 7.939,1077 22.626,1078 10.855,1079 3.008,1080 11.982,1081 20.325,1082 2.519,1083 12.667,1084 15.65,1085 8.818,1086 25.09,1087 11.99,1088 2.921,1089 9.677,1090 22.186,1091 4.642,1092 13.749,1093 17.068,1094 9.633,1095 27.497,1096 12.992,1097 2.674,1098 9.413,1099 24.056,1100 3.893,1101 14.917,1102 18.607,1103 10.495,1104 29.956,1105 14.093,1106 2.493,1107 8.614,1108 25.934,1109 3.475,1110 16.042,1111 20.081,1112 11.331,1113 32.399,1114 15.14,1115 2.439,1116 7.878,1117 27.818,1118 3.221,1119 17.205,1120 21.61,1121 12.189,1122 34.863,1123 16.232,1124 2.291,1125 7.196,1126 29.709,1127 3.181,1128 18.353,1129 23.113,1130 13.037,1131 37.324,1132 17.303,1133 26410,1134 44447,1135 31.323,1136 46.972,1137 70.48,1138 71.214,1139 71.313,1140 69.928,1141 69.793,1142 87.267,1143 14.982,1144 202.298,1145 65.242,1146 5.716,1147 5.828,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 17.567,1156 1.532,1157 1.548,1158 1.55,1159 1.52,1160 1.517,1161 1.897,1162 0.326,1163 4.398,1164 1.418,1165 4.143,1166 4.19,1167 4.123,1168 4.001,1169 8.362,1170 4.023,1171 3.953,1172 3.999,1173 3.881,1174 3.87,1175 7.999,1176 3.864,1177 3.881,1178 3.932,1179 3.823,1180 3.685,1181 7.427,1182 3.714,1183 3.784,1184 3.845,1185 3.693,1186 3.569,1187 5.123,1188 3.592,1189 3.631,1190 3.685,1191 3.548,1192 3.42,1193 4.987,1194 3.445,1195 3.52,1196 3.58,1197 3.443,1198 3.339,1199 4.91,1200 3.351,1201 3.44,1202 3.502,1203 3.356,1204 3.211,1205 4.735,1206 3.242,1207 3.111,1208 3.206,1209 3.006,1210 2.941,1211 4.607,1212 2.91,1213 0.103,1214 0.083,1215 0.152,1216 0.092,1217 0.072,1218 4.716,1219 0.101,1220 3.828,1221 0.052,1222 7.005,1223 0.26,1224 4.242,1225 0.067,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.928,1232 1.897,1233 2.059,1234 2.094,1235 1.29,1236 2.066,1237 1.923,1238 1.893,1239 2.014,1240 2.029,1241 1.206,1242 2.032,1243 1.808,1244 1.746,1245 1.968,1246 1.984,1247 1.195,1248 1.988,1249 1.719,1250 1.659,1251 1.918,1252 1.952,1253 1.118,1254 1.947,1255 1.586,1256 1.531,1257 1.715,1258 1.836,1259 0.864,1260 1.799,1261 1.492,1262 1.435,1263 1.647,1264 1.724,1265 0.825,1266 1.712,1267 1.34,1268 1.281,1269 1.513,1270 1.616,1271 0.825,1272 1.571,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.736,1278 1.429,1279 4.533,1281 5.866,1282 2.398,1283 7.399,1284 4.844,1285 9.018,1286 7.066,1287 10.682,1291 28.288,1293 6.263,1295 4.41,1297 5.484,1299 -3.466,1300 5.665,1305 45.71,1306 123.519,1307 261.718,1308 324.321,1309 368.625,1310 388.235,1311 390.235,1312 84.278,1313 8.806,1314 118.53,1315 118.53,1316 35,1317 13.081,1318 4.585,1319 3.7,1320 59.259,1321 201,1322 249,1323 0.138,1324 274.332,1325 474.88,1326 661.13,1327 91418,1328 2.8,1329 28.346,1330 0.691,1331 0.547,1332 26.769,1333 22.442,1334 19.974,1335 0.434,1336 0.297,1337 13.365,1338 18.898,1339 13.222,1340 10.777,1341 19.064,1342 13.656,1343 18.066,1344 0.278,1345 0.154,1346 17.135,1347 10.038,1348 15.619,1349 0.175,1350 0.083,1351 15.025,1352 7.366,1353 13.191,1354 0.11,1355 0.043,1356 12.822,1357 5.207,1358 11.225,1359 0.071,1360 0.023,1361 10.573,1362 3.584,1363 0.218,1364 127.302,1365 0.179,1366 36.469,1367 0.379,1368 222,1369 772.166,1370 255.553,1371 682.011,1372 922.95,1373 642,1374 265,1375 665.85,1376 299.282,1377 657.439,1378 986.82,1379 620,1380 5}
{0 CHEMBL2322666,1 1.712,2 12.711,3 3.819,4 14.584,5 140.284,6 7.46,7 0.381,8 4.377,9 4.515,10 3.941,11 3.793,12 5.443,13 3.805,14 4.984,15 5.191,16 4.343,17 4.205,18 6.153,19 4.195,20 5.226,21 5.459,22 4.447,23 4.385,24 6.304,25 4.346,26 5.326,27 5.568,28 4.465,29 4.412,30 6.432,31 4.374,32 5.336,33 5.59,34 4.483,35 4.378,36 6.527,37 4.351,38 5.284,39 5.521,40 4.475,41 4.384,42 6.387,43 4.368,44 5.349,45 5.599,46 4.455,47 4.473,48 6.401,49 4.405,50 5.421,51 5.675,52 4.414,53 4.541,54 6.332,55 4.443,56 0.134,57 1.24,58 15.064,59 5.517,60 19.676,61 8.116,62 0.943,63 2.014,64 32.466,65 9.6,66 91.526,67 13.976,68 1.019,69 2.226,70 42.294,71 11.367,72 87.171,73 18.641,74 1,75 2.422,76 47.461,77 12.475,78 103.925,79 19.601,80 1.381,81 2.448,82 49.762,83 11.134,84 150.537,85 18.812,86 0.988,87 2.577,88 45.455,89 11.187,90 91.366,91 17.523,92 1.469,93 2.529,94 49.444,95 13.297,96 107.01,97 21.103,98 0.757,99 2.665,100 51.978,101 16.951,102 81.281,103 25.334,104 44,105 60,106 0.268,107 0.554,108 0.734,109 0.809,110 0.835,111 0.84,112 3.668,113 0.929,114 -4.96,115 -4.86,116 -4.56,119 35.2,120 2,121 1,122 1,125 8,127 1,128 1,142 4,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 6,174 11,175 2,180 1,183 4,185 1,186 2,187 6,189 2,190 2,192 2,195 2,197 2,198 8,199 8,204 1,209 1,211 5,212 6,223 3,224 6,226 1,227 1,236 8,237 8,250 6,252 2,253 2,262 5,263 6,275 2900,276 25.714,277 25.714,278 25.714,279 25.714,280 25.714,281 23.892,282 34.492,283 14.946,284 26.676,285 20.628,286 20.628,287 20.628,288 20.628,289 20.628,290 17.603,291 50.9,292 6.98,293 22.236,294 4.438,295 2.611,296 1.455,297 0.979,298 0.81,299 0.782,300 4.37,306 1045,307 4.243,310 85.277,311 478.238,314 162.589,318 1.824,319 56.698,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 85.5,331 483,332 4.716,333 3.841,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.279,342 3.655,343 6.493,344 4.004,345 3.038,346 3.893,347 1.984,348 9.866,349 2.95,350 4.141,351 3.248,352 6.299,353 3.873,354 2.952,355 3.299,356 0.86,357 9.621,358 2.699,359 3.792,360 3.035,361 6.018,362 3.6,363 2.685,364 3.185,365 0.8,366 8.633,367 2.458,368 3.777,369 3.007,370 5.857,371 3.384,372 2.444,373 2.968,374 0.8,375 7.879,376 2.288,377 3.52,378 2.586,379 5.601,380 3.309,381 2.375,382 2.751,383 0.596,384 7.172,385 2.22,386 3.381,387 2.481,388 5.556,389 3.157,390 2.25,391 2.416,392 0.076,393 6.977,394 2.021,395 3.065,396 2.272,397 4.755,398 2.736,399 1.826,400 2.245,402 5.005,403 1.662,404 2.935,405 2.204,406 4.459,407 2.54,408 1.593,409 2.107,411 4.147,412 1.496,413 2.858,414 1.769,415 4.367,416 2.458,417 1.497,418 1.941,420 4.062,421 1.432,422 2.785,423 1.63,424 4.157,425 2.402,426 1.445,427 1.801,428 3.364,429 1.375,430 2.386,431 1.386,432 4,433 2.151,434 1.229,435 1.359,436 3.194,437 1.127,438 2.308,439 1.309,440 3.587,441 1.967,442 1.051,443 1.267,445 2.615,446 0.965,447 2.192,448 1.301,449 3.491,450 1.952,451 1,452 1.163,454 2.519,455 0.946,456 2,457 1.29,458 3.414,459 1.926,460 1,461 1,463 2.275,464 0.913,465 17.338,466 0.456,467 0.977,468 0.026,469 44,470 1.158,471 16.5,472 0.434,473 27.5,474 0.724,475 41.167,476 1.083,477 43.862,478 0.618,479 39.352,480 1.036,481 8.401,482 0.221,483 9.966,484 0.262,485 0.133,487 0.381,489 2,493 0.721,494 1.536,495 0.75,496 1.367,497 0.608,498 1.112,499 0.812,500 0.902,501 0.858,502 0.931,503 0.611,504 0.91,505 0.669,506 0.908,507 0.824,508 0.968,509 0.547,510 0.939,511 0.923,512 1.042,513 0.951,514 1.035,515 1.03,516 1,517 0.967,518 0.92,519 0.902,520 0.803,521 1.049,522 0.819,523 1.201,524 1.267,525 1.051,526 1.02,527 1.073,528 0.981,529 0.724,530 0.769,531 0.986,532 0.903,533 0.678,534 0.984,535 0.661,536 1.107,537 0.902,538 1.238,539 0.585,540 1.152,541 7,542 0.338,543 4.889,544 2.917,545 2.264,546 1.51,547 1.207,548 0.806,549 0.487,550 0.363,551 21021,552 57549,553 2.081,554 46.5,555 8,556 21,557 1,559 2,561 1,564 1.794,565 1.932,566 3.561,567 0.253,573 121.541,574 1.712,575 3.538,576 4.695,577 5.171,578 5.34,579 5.368,580 2.967,581 4.735,582 5.216,583 3.779,584 2656.39,585 9.228,586 43009.8,591 436.632,592 1.462,593 5.171,594 0.167,595 0.009,596 0.081,597 0.044,598 0.035,599 0.023,600 0.018,601 0.013,602 0.008,603 0.007,604 0.405,605 0.17,606 0.63,607 1.196,608 208.262,609 -0.056,610 -0.36,611 0.065,612 -0.187,613 -0.062,614 -0.055,615 0.126,616 0.178,617 0.073,618 0.085,619 0.137,620 0.061,621 0.104,622 0.007,623 0.101,624 0.024,625 0.097,626 0.05,627 -0.055,628 -0.12,629 0.002,630 -0.08,631 -0.088,632 -0.037,633 0.022,634 0.009,635 0.09,636 0.105,637 0.011,638 0.112,639 -0.173,640 -0.16,641 -0.074,642 -0.062,643 -0.078,644 -0.04,645 0.148,646 0.25,647 -0.031,648 0.077,649 0.073,650 -0.008,651 0.023,652 -0.183,653 0.017,654 -0.18,655 0.032,656 -0.099,657 4.154,658 6.089,659 0.711,660 43.155,661 1.015,662 1.155,663 3.73,664 13.914,665 0.63,666 3.761,667 4.111,668 4.431,669 4.71,670 4.984,671 5.124,672 5.347,673 5.541,674 5.684,675 5.823,676 7.565,677 0.609,678 529.67,679 3.761,680 5.323,681 6.196,682 7.091,683 7.985,684 8.888,685 9.792,686 10.7,687 11.608,688 12.52,689 12.7,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 71,733 17,734 1,735 42,737 75,738 25,739 10,740 2,741 4,745 1,746 5,747 6,752 3,758 2,761 11,762 14,763 1,766 1,771 1,775 1,779 2,781 33,782 12,783 2,784 13,787 1,790 9,794 0.8,795 2,811 1,812 4,815 1,827 1,833 1,839 1,840 4,844 2,846 2,848 38,849 1,854 9,856 1,858 3,859 3,869 2,870 2.8,873 1,874 1,877 19.667,878 13.136,879 8.361,880 4.555,881 3.247,882 1.383,883 0.974,884 8.148,885 11.718,886 3.951,887 4.519,888 5.123,889 5.73,890 6.299,891 6.707,892 7.196,893 7.659,894 7.958,895 8.323,896 1,897 66,898 14.331,900 6.336,901 7.912,902 26.869,904 22.39,905 2.412,906 91.667,910 364.904,911 105.042,912 111.311,914 36.145,915 29.92,917 105.042,918 401.049,919 141.232,920 17.65,921 60.375,922 46.02,923 110.32,924 40.212,925 19.613,926 353.133,928 364.904,929 216.353,930 66.065,933 353.133,934 66.836,935 11,936 8.115,937 90.094,938 51.002,939 67.142,941 394.824,942 147.456,943 105.042,946 373.019,947 41.372,948 66.827,950 166.104,951 364.904,952 177.376,953 105.042,955 0.586,956 0.355,957 0.189,958 0.105,959 29,960 14,961 0.08,962 6,963 1,964 1.074,965 4.587,966 392.465,967 0.074,968 27,969 189.421,974 26.826,975 11.543,976 5.53,977 0.921,978 175.477,979 6.919,980 18.12,984 0.417,985 1.306,986 32.897,987 647.322,988 51,993 12.879,997 -0.059,999 72.083,1000 81.981,1001 0.278,1002 0.575,1003 0.763,1004 0.841,1005 0.868,1006 0.873,1007 5.226,1008 1.826,1009 6.196,1010 6.977,1011 4.796,1012 5.207,1013 3.011,1014 7.05,1015 4.653,1016 6.413,1017 1.593,1018 7.786,1019 5.005,1020 4.443,1021 5.056,1022 2.733,1023 8.038,1024 4.221,1025 7.722,1026 1.497,1027 9.478,1028 4.147,1029 6.431,1030 7.373,1031 4.115,1032 11.172,1033 6.153,1034 9.068,1035 1.445,1036 11.228,1037 4.062,1038 6.909,1039 8.1,1040 4.527,1041 12.993,1042 6.559,1043 10.452,1044 1.229,1045 13.016,1046 3.364,1047 8.371,1048 9.923,1049 5.58,1050 15.653,1051 7.961,1052 11.862,1053 1.051,1054 14.83,1055 3.194,1056 9.217,1057 11.065,1058 6.244,1059 17.825,1060 8.74,1061 13.292,1062 1,1063 16.662,1064 2.615,1065 10.481,1066 12.699,1067 7.172,1068 20.332,1069 9.941,1070 3.317,1071 1,1072 18.509,1073 2.519,1074 11.496,1075 14.043,1076 7.939,1077 22.663,1078 10.892,1079 3.038,1080 11.982,1081 20.366,1082 2.275,1083 12.686,1084 15.604,1085 8.818,1086 25.127,1087 12.018,1088 2.952,1089 9.866,1090 22.233,1091 4.642,1092 13.78,1093 17.045,1094 9.633,1095 27.531,1096 13.046,1097 2.685,1098 9.621,1099 24.107,1100 3.893,1101 14.946,1102 18.58,1103 10.495,1104 29.988,1105 14.147,1106 2.444,1107 8.633,1108 25.988,1109 3.299,1110 16.078,1111 20.067,1112 11.331,1113 32.427,1114 15.212,1115 2.375,1116 7.879,1117 27.875,1118 3.185,1119 17.241,1120 21.595,1121 12.189,1122 34.888,1123 16.307,1124 2.25,1125 7.172,1126 29.768,1127 2.968,1128 18.392,1129 23.104,1130 13.037,1131 37.346,1132 17.39,1133 20083,1134 33571,1135 27.857,1136 44.733,1137 64.173,1138 65.25,1139 66.686,1140 63.859,1141 63.655,1142 76.96,1143 14.982,1144 187.968,1145 59.105,1146 5.716,1147 5.841,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.242,1154 5.072,1155 20.887,1156 1.528,1157 1.554,1158 1.588,1159 1.52,1160 1.516,1161 1.832,1162 0.357,1163 4.475,1164 1.407,1165 4.142,1166 4.189,1167 4.123,1168 4,1169 8.362,1170 4.022,1171 3.922,1172 3.983,1173 3.857,1174 3.729,1175 7.999,1176 3.747,1177 3.82,1178 3.879,1179 3.742,1180 3.627,1181 7.427,1182 3.647,1183 3.725,1184 3.793,1185 3.597,1186 3.533,1187 5.122,1188 3.54,1189 3.594,1190 3.653,1191 3.498,1192 3.393,1193 4.983,1194 3.416,1195 3.464,1196 3.52,1197 3.409,1198 3.235,1199 4.91,1200 3.27,1201 3.332,1202 3.411,1203 3.191,1204 3.104,1205 4.607,1206 3.11,1207 3.111,1208 3.206,1209 2.994,1210 2.941,1211 4.315,1212 2.91,1213 0.112,1214 0.091,1215 0.167,1216 0.101,1217 0.079,1218 4.716,1219 0.111,1220 3.841,1221 0.057,1222 7.005,1223 0.285,1224 4.242,1225 0.073,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.025,1234 2.093,1235 1.325,1236 2.064,1237 1.832,1238 1.775,1239 2.011,1240 2.015,1241 1.254,1242 2.013,1243 1.767,1244 1.708,1245 1.953,1246 1.971,1247 1.196,1248 1.967,1249 1.691,1250 1.624,1251 1.915,1252 1.907,1253 1.118,1254 1.921,1255 1.575,1256 1.518,1257 1.66,1258 1.825,1259 0.825,1260 1.789,1261 1.369,1262 1.312,1263 1.633,1264 1.65,1265 0.825,1266 1.615,1267 1.29,1268 1.213,1269 1.513,1270 1.56,1271 0.762,1272 1.559,1273 1.153,1274 1.064,1275 1.513,1276 1.39,1277 0.735,1278 1.429,1279 4.443,1281 5.784,1282 2.398,1283 7.326,1284 4.844,1285 8.953,1286 7.066,1287 10.627,1289 3.995,1291 28.177,1293 6.185,1295 4.91,1297 5.471,1299 -3.263,1300 5.69,1305 43.237,1306 121.541,1307 251.231,1308 333.348,1309 367.122,1310 379.122,1311 381.122,1312 87.019,1313 8.471,1314 118.53,1315 118.53,1316 29,1317 13.035,1318 4.17,1319 3.322,1320 58.74,1321 169,1322 206,1323 0.166,1324 261.73,1325 454.16,1326 630.382,1327 56332,1328 2.8,1329 26.811,1330 0.706,1331 0.569,1332 25.233,1333 21.633,1334 18.367,1335 0.437,1336 0.31,1337 12.719,1338 17.293,1339 12.51,1340 10.262,1341 17.457,1342 13.01,1343 16.593,1344 0.277,1345 0.161,1346 15.663,1347 9.653,1348 14.663,1349 0.177,1350 0.088,1351 14.069,1352 7.292,1353 11.882,1354 0.108,1355 0.043,1356 11.513,1357 4.726,1358 9.914,1359 0.068,1360 0.022,1361 9.262,1362 3.186,1363 0.258,1364 117.66,1365 0.189,1366 33.935,1367 0.467,1368 204,1369 722.166,1370 237.553,1371 629.619,1372 849,1373 592,1374 245,1375 611.85,1376 279.449,1377 600.721,1378 906.72,1379 566,1380 5.119}
{0 CHEMBL2322667,1 1.759,2 15.048,3 3.808,4 14.502,5 153,6 7.941,7 0.468,8 4.423,9 4.548,10 4.037,11 3.869,12 5.554,13 3.893,14 5,15 5.183,16 4.438,17 4.277,18 6.236,19 4.282,20 5.246,21 5.46,22 4.514,23 4.44,24 6.387,25 4.411,26 5.321,27 5.549,28 4.508,29 4.444,30 6.447,31 4.414,32 5.302,33 5.533,34 4.557,35 4.422,36 6.532,37 4.406,38 5.337,39 5.569,40 4.566,41 4.43,42 6.491,43 4.43,44 5.348,45 5.575,46 4.566,47 4.513,48 6.507,49 4.477,50 5.43,51 5.646,52 4.534,53 4.626,54 6.474,55 4.544,56 0.206,57 1.303,58 13.87,59 5.846,60 27.85,61 7.624,62 0.973,63 2.155,64 29.803,65 10.03,66 91.652,67 13.151,68 1.125,69 2.38,70 40.538,71 12.171,72 96.154,73 17.959,74 1.117,75 2.538,76 45.073,77 13.253,78 119.878,79 18.844,80 1.254,81 2.613,82 44.288,83 11.875,84 131.187,85 18.009,86 1.187,87 2.749,88 46.314,89 12.01,90 112.859,91 17.169,92 1.621,93 2.702,94 46.632,95 13.158,96 126.739,97 19.026,98 0.929,99 2.906,100 47.791,101 18.075,102 117.459,103 24.778,104 27,105 67,106 0.271,107 0.587,108 0.726,109 0.81,110 0.835,111 0.84,112 3.765,113 0.88,114 -4.62,115 -4.54,116 -4.27,119 38.4,121 1,125 8,127 1,128 1,142 8,143 1,144 1,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 8,174 11,175 2,180 3,183 8,185 1,186 2,187 6,189 2,190 2,192 3,195 5,197 1,198 8,199 6,204 3,209 2,211 5,212 8,217 3,222 2,223 3,224 10,226 1,227 1,236 8,237 7,241 1,244 1,250 7,252 2,253 4,262 5,263 6,275 3976,276 28.515,277 28.515,278 28.515,279 28.515,280 28.515,281 25.917,282 38.866,283 16.703,284 29.521,285 23.21,286 23.21,287 23.21,288 23.21,289 23.21,290 19.086,291 53.164,292 7.965,293 24.9,294 4.431,295 2.376,296 1.476,297 0.932,298 0.767,299 0.74,300 4.477,306 1398,307 4,310 97.649,311 703.181,314 185.402,318 2.236,319 64.478,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94.5,331 632,332 4.716,333 3.828,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.356,344 3.953,345 3.008,346 3.893,347 1.984,348 9.677,349 2.881,350 4.126,351 3.248,352 6.287,353 3.859,354 2.923,355 3.625,356 0.86,357 9.413,358 2.696,359 3.973,360 3.035,361 6.013,362 3.617,363 2.682,364 3.247,365 0.8,366 8.614,367 2.552,368 3.784,369 3.006,370 5.857,371 3.536,372 2.578,373 3.184,374 0.8,375 7.878,376 2.418,377 3.774,378 2.825,379 5.588,380 3.377,381 2.441,382 2.965,383 0.596,384 7.302,385 2.277,386 3.514,387 2.523,388 5.471,389 3.203,390 2.301,391 2.751,392 0.076,393 7.122,394 2.08,395 3.425,396 2.461,397 5.053,398 3.097,399 2.153,400 2.695,402 5.968,403 2.008,404 3.109,405 2.283,406 4.817,407 2.827,408 1.883,409 2.271,411 5.29,412 1.771,413 2.966,414 2.256,415 4.723,416 2.685,417 1.777,418 2.112,420 4.875,421 1.606,422 2.927,423 1.824,424 4.409,425 2.46,426 1.511,427 2.039,428 4.135,429 1.432,430 2.856,431 1.763,432 4.226,433 2.421,434 1.478,435 1.925,436 3.734,437 1.387,438 2.543,439 1.63,440 4.003,441 2.243,442 1.312,443 1.543,445 3.22,446 1.215,447 2.5,448 1.386,449 3.587,450 2,451 1.066,452 1.5,454 2.624,455 1,456 2.321,457 1.308,458 3.51,459 1.967,460 1,461 1.281,463 2.519,464 0.965,465 19.171,466 0.456,467 1.062,468 0.025,469 53.25,470 1.268,471 23,472 0.548,473 30.25,474 0.72,475 41.136,476 0.979,477 46.829,478 0.641,479 48.95,480 1.165,481 10.629,482 0.253,483 9.739,484 0.232,485 0.085,487 0.37,489 2,493 0.764,494 1.407,495 0.711,496 1.222,497 0.661,498 1,499 0.815,500 0.891,501 0.868,502 0.931,503 0.615,504 0.914,505 0.728,506 0.89,507 0.892,508 0.98,509 0.616,510 0.979,511 0.925,512 1.015,513 0.967,514 1.005,515 1.006,516 0.996,517 0.819,518 1.041,519 0.888,520 0.956,521 0.839,522 0.931,523 1.185,524 1.21,525 1.016,526 0.948,527 1.072,528 0.912,529 0.838,530 0.724,531 1.03,532 0.822,533 0.814,534 0.935,535 0.661,536 1.181,537 1.022,538 1.38,539 0.628,540 1.325,541 8,542 0.322,543 4.889,544 2.917,545 2.526,546 1.684,547 1.389,548 0.818,549 0.499,550 0.465,551 30694,552 91115,553 2.129,554 42.5,556 25,557 1,559 3,561 2,564 1.814,565 2,566 3.768,567 0.819,573 128.387,574 1.759,575 3.814,576 4.713,577 5.258,578 5.423,579 5.45,580 3.178,581 4.737,582 5.36,583 4.011,584 3453.36,585 9.497,586 61357.9,591 451.857,592 1.385,593 5.328,594 0.17,595 0.007,596 0.073,597 0.041,598 0.037,599 0.023,600 0.019,601 0.011,602 0.007,603 0.008,604 0.397,605 0.17,606 0.63,607 0.622,608 239.677,609 -0.087,610 -0.295,611 0.049,612 -0.125,613 -0.081,614 -0.024,615 0.086,616 0.193,617 0.016,618 0.062,619 0.111,620 0.021,621 0.054,622 0.02,623 0.021,624 -0.008,625 0.054,626 -0.009,627 -0.073,628 -0.1,629 -0.018,630 -0.056,631 -0.1,632 -0.034,633 0.057,634 -0.061,635 0.068,636 -0.023,637 0.046,638 0.015,639 -0.18,640 -0.146,641 -0.035,642 -0.027,643 -0.087,644 0.011,645 0.089,646 0.31,647 -0.078,648 0.127,649 0.041,650 0.008,651 0.041,652 -0.23,653 -0.122,654 -0.316,655 0.043,656 -0.279,657 4.176,658 6.15,659 0.786,660 53.698,661 1.021,662 1.148,663 3.386,664 11.465,665 0.65,666 3.871,667 4.22,668 4.522,669 4.812,670 5.1,671 5.215,672 5.429,673 5.609,674 5.743,675 5.897,676 8.676,677 0.636,678 579.68,679 3.871,680 5.434,681 6.301,682 7.192,683 8.079,684 8.978,685 9.875,686 10.778,687 11.68,688 12.587,689 12.3,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 8,705 4,709 6,710 1,711 22,726 2,728 1,731 73,733 23,734 2,735 47,737 78,738 28,739 16,740 4,741 8,745 1,746 6,747 7,752 1,758 2,761 17,762 11,766 1,771 1,775 1,779 2,781 31,782 13,783 3,784 14,787 1,790 9,794 0.833,795 3,811 1,812 5,815 1,827 1,833 1,839 1,840 5,846 2,848 42,849 1,853 1,854 9,856 1,858 2,859 3,869 2,870 4.1,872 1,873 1,874 1,877 21,878 12.836,879 9.083,880 4.341,881 3.922,882 1.442,883 0.989,884 8.381,885 12.798,886 4.094,887 4.684,888 5.279,889 5.879,890 6.455,891 6.796,892 7.254,893 7.706,894 7.993,895 8.348,896 0.9,897 71,898 15.798,900 7.062,901 7.968,902 29.374,904 24.59,905 2.468,906 103.667,910 329.591,911 128.482,912 111.311,914 78.828,915 29.92,917 128.482,918 408.419,919 141.232,921 60.375,922 83.925,923 153.003,924 43.398,925 19.613,926 317.82,928 329.591,929 239.793,930 108.748,933 306.049,934 121.291,935 11,936 8.115,937 72.443,938 92.093,939 67.142,941 359.511,942 190.139,943 128.482,946 337.706,947 44.557,948 87.082,950 208.788,951 329.591,952 220.06,953 128.482,955 0.587,956 0.346,957 0.187,958 0.109,959 33,960 15,961 0.077,962 6,963 1,964 1.061,965 5.028,966 448.264,967 0.061,968 33,969 212.477,974 28.531,975 12.338,976 6.146,977 0.884,978 218.161,979 13.491,980 18.123,984 1.32,985 1.289,986 75.581,987 678.133,988 59,993 13.1,997 -0.167,999 74.527,1000 83.775,1001 0.284,1002 0.616,1003 0.761,1004 0.85,1005 0.876,1006 0.88,1007 5.359,1008 2.153,1009 6.293,1010 7.122,1011 4.905,1012 5.373,1013 3.011,1014 7.127,1015 4.772,1016 6.553,1017 1.883,1018 7.866,1019 5.968,1020 4.511,1021 5.182,1022 2.733,1023 8.063,1024 4.289,1025 7.858,1026 1.777,1027 9.539,1028 5.29,1029 6.521,1030 7.548,1031 4.115,1032 11.191,1033 6.259,1034 9.199,1035 1.511,1036 11.271,1037 4.875,1038 6.948,1039 8.213,1040 4.527,1041 12.981,1042 6.599,1043 10.575,1044 1.478,1045 13.042,1046 4.135,1047 8.428,1048 10.07,1049 5.58,1050 15.635,1051 8.034,1052 11.976,1053 1.312,1054 14.84,1055 3.734,1056 9.235,1057 11.155,1058 6.244,1059 17.796,1060 8.757,1061 13.398,1062 1.066,1063 16.658,1064 3.22,1065 10.506,1066 12.806,1067 7.172,1068 20.299,1069 9.976,1070 3.317,1071 1,1072 18.493,1073 2.624,1074 11.497,1075 14.11,1076 7.939,1077 22.629,1078 10.885,1079 3.008,1080 11.982,1081 20.34,1082 2.519,1083 12.688,1084 15.676,1085 8.818,1086 25.092,1087 12.016,1088 2.923,1089 9.677,1090 22.199,1091 4.642,1092 13.767,1093 17.091,1094 9.633,1095 27.498,1096 13.016,1097 2.682,1098 9.413,1099 24.066,1100 3.893,1101 14.932,1102 18.626,1103 10.495,1104 29.957,1105 14.115,1106 2.578,1107 8.614,1108 25.942,1109 3.625,1110 16.055,1111 20.098,1112 11.331,1113 32.399,1114 15.161,1115 2.441,1116 7.878,1117 27.825,1118 3.247,1119 17.216,1120 21.623,1121 12.189,1122 34.863,1123 16.251,1124 2.301,1125 7.302,1126 29.714,1127 3.184,1128 18.363,1129 23.124,1130 13.037,1131 37.324,1132 17.32,1133 28462,1134 49279,1135 31.728,1136 47.427,1137 72.068,1138 73.042,1139 73.457,1140 71.578,1141 71.383,1142 89.035,1143 14.982,1144 208.522,1145 66.587,1146 5.716,1147 5.828,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 20.316,1156 1.533,1157 1.554,1158 1.563,1159 1.523,1160 1.519,1161 1.894,1162 0.319,1163 4.437,1164 1.417,1165 4.143,1166 4.19,1167 4.123,1168 4.001,1169 8.362,1170 4.023,1171 3.956,1172 3.999,1173 3.89,1174 3.868,1175 7.999,1176 3.866,1177 3.883,1178 3.932,1179 3.829,1180 3.685,1181 7.427,1182 3.714,1183 3.785,1184 3.845,1185 3.696,1186 3.569,1187 6.471,1188 3.592,1189 3.632,1190 3.685,1191 3.55,1192 3.42,1193 5.123,1194 3.445,1195 3.522,1196 3.58,1197 3.446,1198 3.339,1199 4.985,1200 3.353,1201 3.442,1202 3.502,1203 3.361,1204 3.211,1205 4.91,1206 3.243,1207 3.111,1208 3.206,1209 3.016,1210 2.941,1211 4.611,1212 2.91,1213 0.1,1214 0.081,1215 0.149,1216 0.09,1217 0.071,1218 4.716,1219 0.099,1220 3.828,1221 0.051,1222 7.005,1223 0.255,1224 4.242,1225 0.065,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.926,1232 1.895,1233 2.042,1234 2.094,1235 1.29,1236 2.065,1237 1.919,1238 1.892,1239 2.013,1240 2.029,1241 1.204,1242 2.028,1243 1.807,1244 1.746,1245 1.965,1246 1.984,1247 1.194,1248 1.986,1249 1.719,1250 1.658,1251 1.917,1252 1.952,1253 1.118,1254 1.946,1255 1.586,1256 1.531,1257 1.702,1258 1.836,1259 0.847,1260 1.798,1261 1.489,1262 1.435,1263 1.645,1264 1.726,1265 0.825,1266 1.71,1267 1.34,1268 1.281,1269 1.513,1270 1.617,1271 0.825,1272 1.571,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.736,1278 1.429,1279 4.554,1281 5.894,1282 2.398,1283 7.43,1284 4.844,1285 9.049,1286 7.066,1287 10.713,1291 28.301,1293 6.238,1294 9.498,1295 4.095,1297 5.478,1299 -3.565,1300 5.581,1305 46.425,1306 128.387,1307 278.399,1308 344.083,1309 383.857,1310 395.857,1311 397.857,1312 92.395,1313 8.876,1314 138.76,1315 138.76,1316 35,1317 13.106,1318 4.585,1319 3.7,1320 61.509,1321 213,1322 278,1323 0.135,1324 278.328,1325 483.67,1326 670.88,1327 100385,1328 2.7,1329 29.217,1330 0.696,1331 0.543,1332 27.639,1333 22.812,1334 20.368,1335 0.433,1336 0.293,1337 13.484,1338 19.221,1339 13.349,1340 10.865,1341 19.458,1342 13.791,1343 18.688,1344 0.279,1345 0.153,1346 17.757,1347 10.219,1348 16.03,1349 0.176,1350 0.082,1351 15.436,1352 7.459,1353 13.333,1354 0.109,1355 0.043,1356 12.964,1357 5.225,1358 11.516,1359 0.071,1360 0.022,1361 10.864,1362 3.633,1363 0.214,1364 130.242,1365 0.178,1366 37.255,1367 0.368,1368 228,1369 812.316,1370 263.657,1371 718.358,1372 966.62,1373 674,1374 272,1375 694.88,1376 307.944,1377 685.614,1378 1026.92,1379 646,1380 5.481}
{0 CHEMBL2322668,1 1.75,2 11.973,3 3.064,4 9.386,5 134.254,6 7.782,7 0.381,8 4.329,9 4.46,10 3.937,11 3.753,12 5.381,13 3.777,14 4.95,15 5.148,16 4.344,17 4.178,18 6.13,19 4.18,20 5.184,21 5.421,22 4.392,23 4.321,24 6.231,25 4.285,26 5.195,27 5.429,28 4.419,29 4.295,30 6.311,31 4.282,32 5.166,33 5.391,34 4.442,35 4.282,36 6.401,37 4.281,38 5.199,39 5.427,40 4.442,41 4.322,42 6.293,43 4.315,44 5.265,45 5.513,46 4.42,47 4.388,48 6.341,49 4.337,50 5.299,51 5.534,52 4.387,53 4.464,54 6.243,55 4.386,56 0.158,57 1.204,58 13.105,59 5.112,60 16.354,61 7.193,62 0.975,63 1.991,64 29.784,65 8.922,66 87.239,67 12.526,68 1.097,69 2.114,70 40.177,71 10.706,72 76.183,73 17.183,74 0.987,75 2.214,76 40.562,77 10.915,78 91.417,79 16.334,80 1.242,81 2.291,82 39.232,83 9.386,84 121.676,85 14.738,86 0.939,87 2.473,88 39.744,89 10.424,90 71.061,91 15.505,92 1.479,93 2.382,94 44.713,95 11.828,96 103.1,97 18.365,98 0.748,99 2.515,100 43.899,101 15.199,102 68.643,103 21.726,104 11,105 60,106 0.277,107 0.551,108 0.712,109 0.808,110 0.836,111 0.841,112 3.643,113 0.907,114 -4.76,115 -4.67,116 -4.39,119 36.4,121 2,125 9,127 1,128 1,142 4,146 1,150 3,152 1,158 1,161 1,172 4,174 11,175 2,180 2,183 2,186 2,187 6,190 2,195 1,198 8,199 6,211 5,212 4,223 3,224 6,227 1,236 8,237 7,250 5,253 2,262 5,263 4,275 2646,276 25.499,277 25.499,278 25.499,279 25.499,280 25.499,281 23.677,282 37.404,283 15.018,284 26.511,285 20.77,286 20.77,287 20.77,288 20.77,289 20.77,290 17.748,291 54.54,292 7.145,293 22.448,294 4.295,295 2.564,296 1.546,297 0.939,298 0.758,299 0.727,300 4.359,306 989,307 3.391,310 192.779,311 448.643,314 153.969,318 1.709,319 53.792,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 83.5,331 443,332 4.716,333 3.838,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.399,344 3.964,345 3.016,346 3.893,347 1.985,348 9.74,349 2.886,350 4.113,351 3.248,352 6.294,353 3.862,354 2.932,355 3.277,356 0.86,357 9.576,358 2.694,359 3.787,360 3.035,361 6.014,362 3.586,363 2.672,364 3.185,365 0.8,366 8.623,367 2.438,368 3.776,369 3.006,370 5.857,371 3.379,372 2.442,373 2.966,374 0.8,375 7.878,376 2.28,377 3.514,378 2.546,379 5.588,380 3.227,381 2.321,382 2.75,383 0.624,384 7.137,385 2.105,386 3.252,387 2.452,388 5.247,389 3.1,390 2.179,391 2.312,392 0.375,393 6.387,394 1.988,395 3.048,396 2.271,397 4.744,398 2.722,399 1.818,400 2.203,402 4.97,403 1.643,404 2.934,405 2.179,406 4.416,407 2.485,408 1.55,409 2.106,411 4.137,412 1.442,413 2.857,414 1.769,415 4.253,416 2.454,417 1.493,418 1.936,420 3.861,421 1.429,422 2.727,423 1.63,424 4.005,425 2.385,426 1.418,427 1.732,428 3.231,429 1.365,430 2.361,431 1.386,432 3.839,433 2.132,434 1.202,435 1.324,436 2.953,437 1.111,438 2.302,439 1.308,440 3.587,441 1.967,442 1.049,443 1.257,445 2.611,446 0.965,447 2.191,448 1.3,449 3.49,450 1.952,451 1,452 1.161,454 2.519,455 0.946,456 2,457 1.256,458 3.414,459 1.925,460 1,461 1,463 2.275,464 0.913,465 16.838,466 0.455,467 0.849,468 0.023,469 44.25,470 1.196,471 16.5,472 0.446,473 27.75,474 0.75,475 36.912,476 0.998,477 41.962,478 0.636,479 38.225,480 1.033,481 8.578,482 0.232,483 9.503,484 0.257,485 0.054,487 0.362,489 2,493 0.709,494 1.532,495 0.695,496 1.348,497 0.537,498 1.073,499 0.837,500 0.896,501 0.896,502 0.929,503 0.595,504 0.925,505 0.681,506 0.842,507 0.846,508 0.924,509 0.547,510 0.924,511 0.948,512 1.021,513 0.894,514 0.968,515 1.067,516 0.92,517 1.008,518 0.999,519 0.969,520 0.87,521 1.044,522 0.891,523 1.128,524 1.309,525 1.042,526 1.078,527 0.938,528 1.021,529 0.749,530 0.728,531 0.981,532 0.836,533 0.709,534 0.935,535 0.7,536 1.134,537 0.94,538 1.284,539 0.641,540 1.201,541 6,542 0.29,543 4.222,544 2.569,545 2.024,546 1.337,547 1.154,548 0.749,549 0.386,550 0.332,551 20938,552 57396,553 2.18,554 43.9,556 23,557 1,559 1,561 4,564 1.788,565 2.075,566 3.497,567 -0.258,573 115.48,574 1.75,575 3.481,576 4.498,577 5.105,578 5.287,579 5.317,580 2.885,581 4.466,582 5.178,583 3.721,584 2478.43,585 9.153,586 39202.7,591 398.93,592 1.288,593 5.156,594 0.143,595 0.008,596 0.07,597 0.041,598 0.032,599 0.021,600 0.018,601 0.012,602 0.006,603 0.007,604 0.359,605 0.17,606 0.63,607 0.575,608 200.651,609 -0.058,610 -0.392,611 0.075,612 -0.21,613 -0.029,614 -0.063,615 0.086,616 0.168,617 0.01,618 0.058,619 0.132,620 0.014,621 0.087,622 0.028,623 0.085,624 0.037,625 0.075,626 0.052,627 -0.058,628 -0.108,629 0.059,630 -0.024,631 -0.089,632 0.033,633 -0.008,634 0.003,635 -0.009,636 0.054,637 0.012,638 0.026,639 -0.161,640 -0.195,641 -0.09,642 -0.119,643 -0.043,644 -0.084,645 0.138,646 0.276,647 -0.021,648 0.12,649 0.075,650 0.027,651 0.003,652 -0.188,653 -0.03,654 -0.219,655 0.006,656 -0.149,657 4.141,658 6.074,659 0.865,660 40.557,661 1.02,662 1.154,663 3.526,664 12.431,665 0.64,666 3.761,667 4.111,668 4.443,669 4.754,670 5.011,671 5.159,672 5.375,673 5.565,674 5.71,675 5.864,676 7.321,677 0.624,678 513.62,679 3.761,680 5.323,681 6.201,682 7.098,683 7.994,684 8.899,685 9.803,686 10.713,687 11.622,688 12.534,689 13.6,691 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 66,733 17,734 1,735 42,737 71,738 24,739 10,740 2,741 4,745 1,746 6,747 7,752 1,755 3,758 3,761 11,762 13,766 1,771 1,775 1,779 2,781 29,782 12,783 1,784 13,787 1,790 9,794 0.833,795 2,808 1,811 2,812 4,815 1,827 1,835 1,839 1,840 5,846 2,848 37,854 11,855 1,856 1,858 2,859 3,869 2,870 3,873 1,874 1,877 17.833,878 11.719,879 8,880 4.208,881 3.234,882 1.376,883 1.008,884 6.998,885 11.841,886 3.951,887 4.519,888 5.129,889 5.746,890 6.308,891 6.717,892 7.2,893 7.661,894 7.961,895 8.327,896 0.875,897 62,898 13.962,900 6.272,901 7.874,902 26.354,904 22.414,905 2.374,906 87.833,910 329.591,911 92.032,912 96.425,914 36.145,915 29.92,917 92.032,918 365.736,919 126.345,921 32.118,922 64.03,923 110.32,924 40.212,925 19.613,926 317.82,928 329.591,929 188.457,930 66.065,933 282.506,934 102.15,935 11,936 8.115,937 62.197,938 51.002,939 67.142,941 359.511,942 132.57,943 92.032,946 337.706,947 46.012,948 49.177,949 18.011,950 133.207,951 329.591,952 162.49,953 92.032,955 0.584,956 0.351,957 0.197,958 0.109,959 31,960 13,961 0.056,962 4,963 1,964 1.063,965 4.646,966 387.505,967 0.063,968 32,969 182.75,974 24.564,975 10.541,976 4.913,977 0.947,978 160.591,979 6.955,980 18.161,984 0.5,985 1.32,986 18.011,987 584.112,988 51,993 12.843,997 0.133,999 67.316,1000 76.15,1001 0.289,1002 0.576,1003 0.744,1004 0.845,1005 0.875,1006 0.88,1007 5.226,1008 1.818,1009 6.188,1010 6.387,1011 4.796,1012 5.207,1013 3.026,1014 7.036,1015 4.648,1016 6.404,1017 1.55,1018 7.766,1019 4.97,1020 4.369,1021 5.017,1022 2.733,1023 7.999,1024 4.129,1025 7.708,1026 1.493,1027 9.447,1028 4.137,1029 6.418,1030 7.368,1031 4.118,1032 11.145,1033 6.127,1034 9.051,1035 1.418,1036 11.19,1037 3.861,1038 6.858,1039 8.085,1040 4.527,1041 12.966,1042 6.481,1043 10.433,1044 1.202,1045 12.974,1046 3.231,1047 8.347,1048 9.918,1049 5.583,1050 15.624,1051 7.914,1052 11.842,1053 1.049,1054 14.784,1055 2.953,1056 9.174,1057 11.058,1058 6.245,1059 17.802,1060 8.665,1061 13.274,1062 1,1063 16.615,1064 2.611,1065 10.45,1066 12.695,1067 7.174,1068 20.307,1069 9.878,1070 3.317,1071 1,1072 18.46,1073 2.519,1074 11.457,1075 14.04,1076 7.941,1077 22.643,1078 10.812,1079 3.016,1080 11.982,1081 20.316,1082 2.275,1083 12.652,1084 15.602,1085 8.82,1086 25.106,1087 11.942,1088 2.932,1089 9.74,1090 22.182,1091 4.642,1092 13.742,1093 17.043,1094 9.634,1095 27.513,1096 12.96,1097 2.672,1098 9.576,1099 24.056,1100 3.893,1101 14.911,1102 18.579,1103 10.496,1104 29.971,1105 14.06,1106 2.442,1107 8.623,1108 25.938,1109 3.277,1110 16.042,1111 20.066,1112 11.332,1113 32.413,1114 15.118,1115 2.321,1116 7.878,1117 27.825,1118 3.185,1119 17.206,1120 21.594,1121 12.19,1122 34.875,1123 16.212,1124 2.179,1125 7.137,1126 29.718,1127 2.966,1128 18.358,1129 23.103,1130 13.038,1131 37.335,1132 17.29,1133 19200,1134 32066,1135 28.838,1136 42.211,1137 64.418,1138 65.499,1139 65.007,1140 64.336,1141 64.16,1142 77.476,1143 15.64,1144 188.079,1145 59.443,1146 5.716,1147 5.838,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 14.188,1156 1.534,1157 1.56,1158 1.548,1159 1.532,1160 1.528,1161 1.845,1162 0.372,1163 4.478,1164 1.415,1165 4.142,1166 4.189,1167 4.123,1168 4,1169 8.362,1170 4.022,1171 3.934,1172 3.994,1173 3.863,1174 3.743,1175 7.999,1176 3.76,1177 3.842,1178 3.903,1179 3.767,1180 3.637,1181 7.427,1182 3.662,1183 3.74,1184 3.81,1185 3.615,1186 3.532,1187 5.122,1188 3.543,1189 3.595,1190 3.654,1191 3.506,1192 3.392,1193 4.91,1194 3.415,1195 3.461,1196 3.516,1197 3.411,1198 3.229,1199 4.607,1200 3.265,1201 3.208,1202 3.255,1203 3.124,1204 2.962,1205 4.381,1206 2.99,1207 3.111,1208 3.206,1209 2.986,1210 2.941,1211 4.301,1212 2.91,1213 0.112,1214 0.091,1215 0.167,1216 0.101,1217 0.079,1218 4.716,1219 0.111,1220 3.838,1221 0.057,1222 7.005,1223 0.285,1224 4.242,1225 0.073,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.014,1234 2.092,1235 1.29,1236 2.061,1237 1.814,1238 1.752,1239 1.976,1240 2.001,1241 1.205,1242 1.999,1243 1.726,1244 1.667,1245 1.919,1246 1.962,1247 1.195,1248 1.953,1249 1.603,1250 1.547,1251 1.847,1252 1.84,1253 1.118,1254 1.811,1255 1.561,1256 1.498,1257 1.689,1258 1.756,1259 0.933,1260 1.777,1261 1.456,1262 1.384,1263 1.643,1264 1.72,1265 0.825,1266 1.709,1267 1.337,1268 1.276,1269 1.513,1270 1.616,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.736,1278 1.429,1279 4.443,1281 5.784,1282 3.045,1283 7.322,1284 5.352,1285 8.947,1286 7.445,1287 10.62,1291 28.148,1295 7.152,1296 3.269,1297 5.475,1299 -2.913,1300 5.843,1305 41.184,1306 115.48,1307 229.73,1308 296.872,1309 336.93,1310 348.93,1311 350.93,1312 70.569,1313 8.607,1314 104.54,1315 104.54,1316 34,1317 13.049,1318 4.17,1319 3.322,1320 50.698,1321 160,1322 176,1323 0.151,1324 244.745,1325 424.5,1326 588.937,1327 68069,1328 3,1329 25.355,1330 0.685,1331 0.551,1332 23.777,1333 20.392,1334 18.081,1335 0.43,1336 0.302,1337 12.4,1338 16.97,1339 12.314,1340 9.984,1341 17.17,1342 12.701,1343 16.393,1344 0.273,1345 0.157,1346 15.463,1347 9.391,1348 14.435,1349 0.172,1350 0.085,1351 13.841,1352 7.108,1353 12.431,1354 0.108,1355 0.045,1356 12.062,1357 5.133,1358 10.21,1359 0.069,1360 0.022,1361 9.558,1362 3.319,1363 0.234,1364 116.104,1365 0.186,1366 33.228,1367 0.427,1368 204,1369 727.187,1370 238.247,1371 631.633,1372 855.28,1373 596,1374 246,1375 617.625,1376 281.115,1377 604.56,1378 914.86,1379 571,1380 5.658}
{0 CHEMBL2322669,1 1.72,2 14.179,3 2.441,4 5.956,5 143.999,6 7.462,7 0.372,8 4.407,9 4.549,10 3.965,11 3.809,12 5.481,13 3.825,14 5.007,15 5.213,16 4.351,17 4.219,18 6.18,19 4.207,20 5.256,21 5.501,22 4.437,23 4.383,24 6.319,25 4.339,26 5.312,27 5.556,28 4.457,29 4.397,30 6.4,31 4.362,32 5.306,33 5.551,34 4.497,35 4.383,36 6.499,37 4.359,38 5.33,39 5.576,40 4.508,41 4.394,42 6.445,43 4.381,44 5.361,45 5.61,46 4.499,47 4.473,48 6.482,49 4.422,50 5.424,51 5.66,52 4.461,53 4.576,54 6.37,55 4.486,56 0.164,57 1.269,58 15.648,59 5.423,60 23.844,61 8.212,62 0.968,63 2.03,64 33.143,65 9.598,66 94.413,67 14.227,68 1.095,69 2.198,70 44.35,71 11.325,72 94.339,73 19.128,74 1.041,75 2.371,76 47.07,77 12.067,78 107.944,79 19.226,80 1.274,81 2.44,82 47.21,83 10.817,84 138.56,85 18.471,86 1.078,87 2.585,88 48.248,89 11.144,90 103.797,91 18.214,92 1.641,93 2.517,94 50.408,95 12.561,96 132.06,97 20.301,98 0.763,99 2.73,100 50.964,101 16.996,102 86.325,103 25.177,104 35,105 60,106 0.268,107 0.549,108 0.713,109 0.818,110 0.844,111 0.848,112 3.693,113 0.928,114 -4.24,115 -4.18,116 -3.95,119 34.2,121 3,125 9,127 1,128 1,142 4,146 1,150 3,152 1,158 1,161 1,163 2,164 2,165 2,172 5,174 11,175 2,180 2,183 3,185 2,186 2,187 6,189 2,190 2,192 2,195 1,197 2,198 8,199 6,204 2,209 2,211 5,212 6,223 3,224 6,226 1,227 1,228 1,231 2,235 1,236 8,237 7,239 2,240 2,250 6,252 2,253 2,262 5,263 4,275 3254,276 26.629,277 26.629,278 26.629,279 26.629,280 26.629,281 24.806,282 36.074,283 15.933,284 27.613,285 21.209,286 21.209,287 21.209,288 21.209,289 21.209,290 18.18,291 50.9,292 7.537,293 22.851,294 4.47,295 2.659,296 1.611,297 0.932,298 0.767,299 0.74,300 4.398,306 1200,307 4.243,310 88.982,311 498.269,314 169.362,318 2.124,319 59.587,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 88,331 553,332 4.716,333 3.823,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.348,344 3.94,345 3.004,346 3.893,347 1.984,348 9.673,349 2.853,350 4.085,351 3.248,352 6.284,353 3.848,354 2.908,355 3.254,356 0.86,357 9.365,358 2.69,359 3.785,360 3.035,361 6.012,362 3.576,363 2.661,364 3.184,365 0.8,366 8.608,367 2.43,368 3.775,369 3.005,370 5.857,371 3.378,372 2.441,373 2.964,374 0.8,375 7.877,376 2.278,377 3.512,378 2.518,379 5.587,380 3.203,381 2.304,382 2.75,383 0.596,384 7.131,385 2.067,386 3.162,387 2.348,388 5.079,389 3.018,390 2.079,391 2.281,392 0.076,393 5.847,394 1.939,395 3.02,396 2.268,397 4.738,398 2.72,399 1.813,400 2.131,402 4.94,403 1.651,404 2.933,405 2.05,406 4.412,407 2.591,408 1.621,409 2.095,411 4.136,412 1.559,413 2.857,414 1.769,415 4.236,416 2.46,417 1.509,418 1.932,420 3.802,421 1.432,422 2.715,423 1.638,424 4.003,425 2.421,426 1.476,427 1.718,428 3.231,429 1.386,430 2.493,431 1.629,432 3.759,433 2.256,434 1.319,435 1.492,436 3.104,437 1.229,438 2.321,439 1.386,440 3.587,441 1.967,442 1.072,443 1.281,445 2.621,446 0.965,447 2.202,448 1.308,449 3.491,450 1.957,451 1,452 1.169,454 2.519,455 0.946,456 2.146,457 1.3,458 3.414,459 1.952,460 1,461 1,463 2.275,464 0.939,465 17.738,466 0.455,467 0.887,468 0.023,469 44.75,470 1.147,471 16.5,472 0.423,473 28.25,474 0.724,475 41.271,476 1.058,477 45.262,478 0.62,479 40.529,480 1.039,481 8.705,482 0.223,483 10.252,484 0.263,485 0.096,487 0.344,489 2,493 0.759,494 1.533,495 0.765,496 1.345,497 0.647,498 1.095,499 0.829,500 0.941,501 0.903,502 0.99,503 0.629,504 0.969,505 0.675,506 0.877,507 0.814,508 0.933,509 0.556,510 0.909,511 0.942,512 1.022,513 0.928,514 0.987,515 1.038,516 0.955,517 0.908,518 1.024,519 0.909,520 0.922,521 0.963,522 0.907,523 1.165,524 1.243,525 0.993,526 0.988,527 1.041,528 0.932,529 0.834,530 0.709,531 1.011,532 0.81,533 0.812,534 0.921,535 0.718,536 1.186,537 0.97,538 1.346,539 0.671,540 1.25,541 6.5,542 0.334,543 4.444,544 2.792,545 2.184,546 1.51,547 1.227,548 0.778,549 0.45,550 0.388,551 23252,552 64858,553 2.095,554 46.6,555 2,556 23,557 1,559 4,561 4,564 1.799,565 1.966,566 3.667,567 1.554,573 125.568,574 1.72,575 3.531,576 4.579,577 5.258,578 5.423,579 5.45,580 3.186,581 4.773,582 5.249,583 3.901,584 2890.34,585 9.291,586 48089.1,591 451.857,592 1.389,593 5.219,594 0.151,595 0.009,596 0.074,597 0.043,598 0.034,599 0.023,600 0.018,601 0.012,602 0.007,603 0.007,604 0.377,606 0.63,607 1.413,608 216.709,609 -0.08,610 -0.337,611 0.054,612 -0.157,613 -0.072,614 -0.035,615 0.105,616 0.154,617 0.025,618 0.042,619 0.12,620 0.01,621 0.1,622 0.02,623 0.12,624 0.055,625 0.089,626 0.084,627 -0.062,628 -0.094,629 0.027,630 -0.021,631 -0.093,632 0.015,633 0.041,634 -0.043,635 0.062,636 0.024,637 0.02,638 0.044,639 -0.146,640 -0.166,641 -0.008,642 -0.04,643 -0.053,644 0.011,645 0.119,646 0.321,647 -0.042,648 0.153,649 0.065,650 0.037,651 -0.007,652 -0.208,653 -0.064,654 -0.246,655 0.005,656 -0.184,657 4.159,658 6.098,659 0.692,660 48.668,661 1.016,662 1.157,663 3.013,664 9.079,665 0.627,666 3.784,667 4.111,668 4.419,669 4.71,670 4.99,671 5.136,672 5.357,673 5.541,674 5.677,675 5.829,676 8.037,677 0.606,678 544.69,679 3.784,680 5.333,681 6.196,682 7.084,683 7.973,684 8.872,685 9.773,686 10.679,687 11.586,688 12.498,689 13.7,690 2,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 73,733 17,734 1,735 43,737 77,738 25,739 10,740 2,741 4,745 1,746 5,747 6,752 2,758 4,761 11,762 14,766 1,771 1,775 1,779 2,781 34,782 13,783 4,784 14,787 1,790 10,794 0.8,795 2,811 1,812 4,815 1,827 1,833 2,839 1,840 4,846 2,848 39,849 2,854 12,856 1,858 2,859 3,869 2,870 2.7,873 1,874 1,877 19.833,878 12.636,879 8.667,880 4.527,881 3.241,882 1.38,883 0.983,884 8.951,885 11.761,886 3.97,887 4.519,888 5.117,889 5.727,890 6.301,891 6.711,892 7.198,893 7.659,894 7.957,895 8.322,896 1,897 65,898 14.695,900 6.47,901 7.932,902 27.538,904 22.858,905 2.432,906 94.833,910 353.133,911 94.566,912 144.209,914 36.145,915 29.92,917 94.566,918 389.278,919 174.129,921 100.447,922 46.02,923 110.32,924 40.212,925 19.613,926 341.362,928 353.133,929 238.775,930 66.065,933 306.049,934 102.15,935 11,936 8.115,937 112.515,938 51.002,939 67.142,941 383.053,942 180.353,943 94.566,946 361.248,947 48.546,948 49.177,950 199.002,951 353.133,952 210.274,953 94.566,955 0.576,956 0.34,957 0.185,958 0.107,959 28,960 13,961 0.104,962 8,963 1,964 1.074,965 4.746,966 399.798,967 0.074,968 27,969 196.131,974 27.75,975 12.58,976 6.183,977 0.912,978 208.374,979 6.905,980 18.109,984 0.391,985 1.301,986 65.794,987 657.973,988 52,993 12.841,997 -0.08,999 74.185,1000 84.479,1001 0.278,1002 0.57,1003 0.74,1004 0.85,1005 0.876,1006 0.88,1007 5.231,1008 1.813,1009 6.18,1010 5.847,1011 4.796,1012 5.207,1013 3.011,1014 7.017,1015 4.651,1016 6.405,1017 1.621,1018 7.753,1019 4.94,1020 4.369,1021 5.017,1022 2.733,1023 7.974,1024 4.129,1025 7.705,1026 1.509,1027 9.431,1028 4.136,1029 6.405,1030 7.363,1031 4.115,1032 11.117,1033 6.118,1034 9.044,1035 1.476,1036 11.173,1037 3.802,1038 6.836,1039 8.079,1040 4.527,1041 12.935,1042 6.457,1043 10.423,1044 1.319,1045 12.954,1046 3.231,1047 8.326,1048 9.913,1049 5.58,1050 15.594,1051 7.894,1052 11.831,1053 1.072,1054 14.764,1055 3.104,1056 9.148,1057 11.054,1058 6.244,1059 17.772,1060 8.633,1061 13.261,1062 1,1063 16.593,1064 2.621,1065 10.424,1066 12.692,1067 7.172,1068 20.279,1069 9.849,1070 3.317,1071 1,1072 18.437,1073 2.519,1074 11.429,1075 14.037,1076 7.939,1077 22.616,1078 10.776,1079 3.004,1080 11.982,1081 20.293,1082 2.275,1083 12.625,1084 15.6,1085 8.818,1086 25.081,1087 11.906,1088 2.908,1089 9.673,1090 22.159,1091 4.642,1092 13.715,1093 17.042,1094 9.633,1095 27.491,1096 12.92,1097 2.661,1098 9.365,1099 24.033,1100 3.893,1101 14.884,1102 18.577,1103 10.495,1104 29.951,1105 14.021,1106 2.441,1107 8.608,1108 25.914,1109 3.254,1110 16.015,1111 20.065,1112 11.331,1113 32.395,1114 15.076,1115 2.304,1116 7.877,1117 27.801,1118 3.184,1119 17.18,1120 21.593,1121 12.189,1122 34.86,1123 16.169,1124 2.079,1125 7.131,1126 29.694,1127 2.964,1128 18.332,1129 23.103,1130 13.037,1131 37.321,1132 17.245,1133 22233,1134 37455,1135 28.838,1136 45.739,1137 65.15,1138 66.154,1139 66.88,1140 64.863,1141 64.701,1142 78.014,1143 14.982,1144 186.518,1145 60.059,1146 5.716,1147 5.823,1148 6.915,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 19.475,1156 1.515,1157 1.538,1158 1.555,1159 1.508,1160 1.505,1161 1.814,1162 0.348,1163 4.338,1164 1.397,1165 4.142,1166 4.189,1167 4.123,1168 4,1169 8.362,1170 4.022,1171 3.918,1172 3.98,1173 3.855,1174 3.717,1175 7.999,1176 3.739,1177 3.813,1178 3.872,1179 3.731,1180 3.613,1181 7.427,1182 3.632,1183 3.724,1184 3.795,1185 3.591,1186 3.535,1187 5.123,1188 3.539,1189 3.604,1190 3.665,1191 3.501,1192 3.398,1193 5.009,1194 3.421,1195 3.494,1196 3.563,1197 3.42,1198 3.281,1199 4.978,1200 3.3,1201 3.434,1202 3.502,1203 3.316,1204 3.201,1205 4.91,1206 3.224,1207 3.118,1208 3.209,1209 3.007,1210 2.941,1211 4.607,1212 2.91,1213 0.11,1214 0.089,1215 0.163,1216 0.099,1217 0.077,1218 4.716,1219 0.108,1220 3.823,1221 0.055,1222 7.005,1223 0.279,1224 4.242,1225 0.071,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.018,1234 2.093,1235 1.334,1236 2.063,1237 1.824,1238 1.764,1239 2.007,1240 2.011,1241 1.265,1242 2.009,1243 1.757,1244 1.698,1245 1.953,1246 1.969,1247 1.196,1248 1.965,1249 1.693,1250 1.625,1251 1.916,1252 1.909,1253 1.118,1254 1.925,1255 1.578,1256 1.521,1257 1.707,1258 1.83,1259 0.916,1260 1.794,1261 1.447,1262 1.378,1263 1.648,1264 1.715,1265 0.825,1266 1.709,1267 1.339,1268 1.276,1269 1.513,1270 1.62,1271 0.825,1272 1.574,1273 1.153,1274 1.064,1275 1.513,1276 1.377,1277 0.737,1278 1.429,1279 4.466,1281 5.79,1282 2.398,1283 7.315,1284 4.844,1285 8.932,1286 7.066,1287 10.598,1291 28.196,1293 11.676,1295 6.832,1297 5.471,1299 -3.379,1300 5.659,1305 44.259,1306 125.568,1307 257.73,1308 334.29,1309 383.857,1310 395.857,1311 397.857,1312 90.618,1313 8.519,1314 144.55,1315 144.55,1316 29,1317 13.013,1318 4.17,1319 3.322,1320 61.228,1321 182,1322 265,1323 0.16,1324 268.525,1325 465.16,1326 646.96,1327 61033,1328 2.7,1329 27.355,1330 0.701,1331 0.558,1332 25.777,1333 21.754,1334 18.957,1335 0.441,1336 0.309,1337 12.996,1338 17.833,1339 12.884,1340 10.52,1341 18.046,1342 13.3,1343 16.822,1344 0.28,1345 0.161,1346 15.891,1347 9.633,1348 14.453,1349 0.176,1350 0.086,1351 13.859,1352 7.036,1353 12.007,1354 0.109,1355 0.044,1356 11.637,1357 4.884,1358 10.15,1359 0.07,1360 0.023,1361 9.498,1362 3.34,1363 0.25,1364 121.55,1365 0.186,1366 34.921,1367 0.441,1368 206,1369 733.479,1370 240.247,1371 640.31,1372 860.62,1373 602,1374 245,1375 616.273,1376 279.782,1377 604.448,1378 910.76,1379 570,1380 5.638}
{0 CHEMBL2322670,1 1.776,2 11.829,3 2.177,4 4.739,5 126.818,6 7.864,7 0.41,8 4.262,9 4.396,10 3.87,11 3.667,12 5.362,13 3.697,14 4.861,15 5.061,16 4.264,17 4.068,18 6.09,19 4.079,20 5.076,21 5.306,22 4.333,23 4.223,24 6.161,25 4.204,26 5.115,27 5.341,28 4.361,29 4.235,30 6.284,31 4.221,32 5.111,33 5.342,34 4.384,35 4.207,36 6.354,37 4.204,38 5.111,39 5.343,40 4.392,41 4.206,42 6.265,43 4.223,44 5.157,45 5.392,46 4.385,47 4.301,48 6.313,49 4.271,50 5.239,51 5.465,52 4.34,53 4.42,54 6.202,55 4.346,56 0.184,57 1.121,58 12.109,59 4.565,60 21.765,61 6.513,62 0.973,63 1.806,64 27.276,65 7.942,66 88.9,67 11.152,68 1.043,69 1.926,70 35.609,71 9.059,72 77.555,73 14.773,74 0.989,75 2.083,76 36.492,77 10.121,78 100.192,79 14.984,80 1.19,81 2.13,82 37.245,83 8.939,84 116.573,85 14.347,86 0.968,87 2.266,88 36.57,89 8.535,90 79.569,91 13.187,92 1.454,93 2.201,94 39.03,95 9.962,96 102.604,97 15.34,98 0.729,99 2.401,100 40.27,101 14.266,102 75.335,103 20.292,104 23,105 55,106 0.285,107 0.564,108 0.702,109 0.795,110 0.826,111 0.832,112 3.589,113 0.894,114 -4.34,115 -4.27,116 -4.03,119 35.5,121 1,125 9,128 1,142 4,146 1,150 3,152 1,158 1,161 1,163 1,164 1,165 1,172 3,174 11,175 4,180 1,183 2,185 1,186 2,187 4,195 1,198 8,199 4,201 2,202 2,211 5,212 5,223 3,224 5,236 8,237 8,239 1,240 1,250 3,262 5,263 5,265 2,266 2,275 2283,276 24.007,277 24.007,278 24.007,279 24.007,280 24.007,281 22.16,282 33.318,283 14.267,284 24.972,285 19.252,286 19.252,287 19.252,288 19.252,289 19.252,290 16.204,291 49.149,292 6.701,293 20.856,294 4.178,295 2.442,296 1.582,297 1,298 0.806,299 0.774,300 4.296,305 1,306 903,307 3.606,310 75.316,311 423.392,314 144.224,318 1.691,319 53.412,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 79.5,331 414,332 4.716,333 3.719,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.277,342 3.655,343 6.305,344 3.901,345 2.987,346 3.893,347 1.94,348 9.654,349 2.739,350 3.962,351 3.247,352 6.066,353 3.75,354 2.809,355 3.19,356 0.86,357 8.761,358 2.639,359 3.78,360 3.035,361 5.959,362 3.534,363 2.61,364 3.114,365 0.8,366 8.384,367 2.399,368 3.757,369 3,370 5.856,371 3.375,372 2.44,373 2.949,374 0.8,375 7.874,376 2.274,377 3.507,378 2.508,379 5.585,380 3.18,381 2.285,382 2.748,383 0.555,384 7.123,385 2.035,386 3.084,387 2.281,388 4.756,389 2.762,390 1.842,391 2.263,393 5.035,394 1.696,395 2.937,396 2.251,397 4.44,398 2.609,399 1.671,400 2.109,402 4.209,403 1.551,404 2.865,405 1.77,406 4.329,407 2.459,408 1.502,409 1.956,411 4.121,412 1.432,413 2.845,414 1.631,415 4.073,416 2.41,417 1.462,418 1.874,420 3.387,421 1.38,422 2.42,423 1.47,424 3.993,425 2.19,426 1.267,427 1.407,428 3.194,429 1.164,430 2.313,431 1.386,432 3.587,433 1.967,434 1.062,435 1.274,436 2.614,437 0.965,438 2.194,439 1.308,440 3.49,441 1.952,442 1,443 1.165,445 2.519,446 0.946,447 2.037,448 1.3,449 3.414,450 1.939,451 1,452 1,454 2.275,455 0.924,456 2,457 1.256,458 3.287,459 1.852,460 1,461 1,463 2.136,464 0.837,465 15.838,466 0.453,467 0.798,468 0.023,469 42.5,470 1.214,471 16.5,472 0.471,473 26,474 0.743,475 33.394,476 0.954,477 39.962,478 0.645,479 37.123,480 1.061,481 8.497,482 0.243,483 8.549,484 0.244,485 0.082,487 0.354,489 2,493 0.732,494 1.535,495 0.701,496 1.354,497 0.595,498 1.072,499 0.845,500 0.869,501 0.878,502 0.899,503 0.625,504 0.895,505 0.743,506 0.858,507 0.833,508 0.885,509 0.607,510 0.878,511 0.88,512 1.019,513 0.927,514 1.022,515 0.945,516 0.991,517 0.885,518 1.028,519 0.886,520 0.913,521 0.905,522 0.895,523 1.197,524 1.346,525 1.01,526 1.004,527 1.005,528 0.931,529 0.816,530 0.692,531 1.035,532 0.792,533 0.788,534 0.926,535 0.714,536 1.196,537 0.982,538 1.377,539 0.64,540 1.284,541 6,542 0.276,543 4,544 2.417,545 1.864,546 1.371,547 1.146,548 0.7,549 0.417,550 0.344,551 16716,552 50258,553 2.123,554 43.5,556 22,557 1,559 2,560 2,564 1.775,565 2,566 3.443,567 0.304,569 1,573 110.141,574 1.776,575 3.512,576 4.373,577 4.954,578 5.148,579 5.18,580 2.869,581 4.729,582 5.096,583 3.648,584 2170.48,585 8.998,586 32789,591 369.16,592 1.366,593 5.067,594 0.154,595 0.009,596 0.073,597 0.041,598 0.032,599 0.023,600 0.019,601 0.012,602 0.007,603 0.007,604 0.376,605 0.17,606 0.63,607 1.033,608 186.043,609 -0.078,610 -0.393,611 0.062,612 -0.212,613 -0.058,614 -0.063,615 0.087,616 0.192,617 0.028,618 0.088,619 0.119,620 0.042,621 0.036,622 0.025,623 0.088,624 0.082,625 0.035,626 0.096,627 -0.032,628 -0.08,629 0.002,630 -0.059,631 -0.051,632 -0.032,633 0.048,634 -0.048,635 0.069,636 0.029,637 0.04,638 0.046,639 -0.202,640 -0.227,641 -0.052,642 -0.068,643 -0.076,644 -0.012,645 0.105,646 0.364,647 -0.092,648 0.159,649 0.035,650 0.011,651 -0.025,652 -0.225,653 -0.092,654 -0.28,655 -0.007,656 -0.218,657 4.147,658 6.005,659 0.771,660 36.96,661 1.023,662 1.157,663 3.107,664 9.653,665 0.636,666 3.689,667 4.025,668 4.344,669 4.654,670 4.942,671 5.088,672 5.308,673 5.493,674 5.635,675 5.768,676 6.947,677 0.623,678 487.58,679 3.689,680 5.242,681 6.111,682 7.006,683 7.899,684 8.804,685 9.708,686 10.618,687 11.528,688 12.442,689 14.5,690 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 62,733 17,734 1,735 39,737 66,738 22,739 10,740 2,741 4,745 1,746 5,747 6,752 2,758 1,761 11,762 11,766 1,771 1,775 1,779 2,781 27,782 12,783 2,784 13,787 1,790 9,794 0.8,795 2,811 1,812 4,815 1,827 1,833 1,839 1,840 4,846 2,848 35,849 1,854 10,856 1,858 1,859 3,869 2,870 3.2,873 1,874 1,877 17.5,878 10.969,879 7.722,880 3.791,881 3.267,882 1.393,883 0.998,884 7.161,885 11.577,886 3.892,887 4.463,888 5.074,889 5.707,890 6.286,891 6.7,892 7.189,893 7.652,894 7.951,895 8.314,896 0.875,897 59,898 13.168,900 5.826,901 7.971,902 24.539,904 20.346,905 2.471,906 86.5,910 294.278,911 89.497,912 111.311,914 36.145,915 29.92,917 89.497,918 330.422,919 141.232,921 62.481,922 46.02,923 110.32,924 40.212,925 19.613,926 282.506,928 294.278,929 200.808,930 66.065,933 294.278,934 55.065,935 11,936 8.115,937 74.549,938 51.002,939 67.142,941 324.198,942 147.456,943 89.497,946 302.392,947 43.477,948 49.177,950 166.104,951 294.278,952 177.376,953 89.497,955 0.578,956 0.344,957 0.194,958 0.111,959 27,960 12,961 0.076,962 5,963 1,964 1.074,965 4.412,966 352.749,967 0.074,968 27,969 169.525,974 23.952,975 10.464,976 4.977,977 0.926,978 175.477,979 6.908,980 18.005,984 0.434,985 1.302,986 32.897,987 561.151,988 48,993 12.224,997 0.018,999 63.432,1000 71.735,1001 0.298,1002 0.59,1003 0.734,1004 0.832,1005 0.865,1006 0.87,1007 5.153,1008 1.671,1009 6.098,1010 5.035,1011 4.71,1012 5.15,1013 2.983,1014 6.942,1015 4.555,1016 6.337,1017 1.502,1018 7.674,1019 4.209,1020 4.29,1021 4.977,1022 2.733,1023 7.906,1024 4.038,1025 7.643,1026 1.462,1027 9.353,1028 4.121,1029 6.326,1030 7.331,1031 4.078,1032 11.046,1033 6.019,1034 8.987,1035 1.267,1036 11.094,1037 3.387,1038 6.758,1039 8.051,1040 4.507,1041 12.87,1042 6.354,1043 10.37,1044 1.062,1045 12.875,1046 3.194,1047 8.251,1048 9.893,1049 5.542,1050 15.528,1051 7.787,1052 11.781,1053 1,1054 14.684,1055 2.614,1056 9.072,1057 11.035,1058 6.218,1059 17.714,1060 8.519,1061 13.213,1062 1,1063 16.512,1064 2.519,1065 10.351,1066 12.679,1067 7.137,1068 20.222,1069 9.732,1070 3.317,1071 1,1072 18.356,1073 2.275,1074 11.355,1075 14.026,1076 7.912,1077 22.568,1078 10.652,1079 2.987,1080 11.982,1081 20.211,1082 2.136,1083 12.553,1084 15.591,1085 8.788,1086 25.038,1087 11.779,1088 2.809,1089 9.654,1090 22.077,1091 4.642,1092 13.644,1093 17.035,1094 9.608,1095 27.455,1096 12.788,1097 2.61,1098 8.761,1099 23.951,1100 3.893,1101 14.815,1102 18.572,1103 10.469,1104 29.919,1105 13.887,1106 2.44,1107 8.384,1108 25.833,1109 3.19,1110 15.948,1111 20.061,1112 11.31,1113 32.369,1114 14.94,1115 2.285,1116 7.874,1117 27.721,1118 3.114,1119 17.116,1120 21.59,1121 12.168,1122 34.838,1123 16.033,1124 1.842,1125 7.123,1126 29.616,1127 2.949,1128 18.271,1129 23.1,1130 13.019,1131 37.303,1132 17.11,1133 15863,1134 27712,1135 26.353,1136 39.449,1137 59.482,1138 60.212,1139 60.768,1140 59.206,1141 59.104,1142 72.437,1143 14.661,1144 171.858,1145 54.586,1146 5.716,1147 5.719,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 16.163,1156 1.525,1157 1.544,1158 1.558,1159 1.518,1160 1.515,1161 1.857,1162 0.376,1163 4.407,1164 1.4,1165 4.141,1166 4.188,1167 4.122,1168 3.999,1169 8.362,1170 4.022,1171 3.91,1172 3.973,1173 3.85,1174 3.697,1175 7.999,1176 3.726,1177 3.795,1178 3.856,1179 3.707,1180 3.574,1181 7.427,1182 3.598,1183 3.647,1184 3.708,1185 3.554,1186 3.432,1187 5.122,1188 3.453,1189 3.541,1190 3.61,1191 3.445,1192 3.35,1193 5.003,1194 3.36,1195 3.448,1196 3.509,1197 3.359,1198 3.212,1199 4.91,1200 3.244,1201 3.121,1202 3.206,1203 3.022,1204 2.941,1205 4.607,1206 2.91,1207 3.111,1208 3.206,1209 2.964,1210 2.941,1211 4.317,1212 2.91,1213 0.121,1214 0.095,1215 0.18,1216 0.109,1217 0.085,1218 4.716,1219 0.119,1220 3.719,1221 0.061,1222 7.005,1223 0.307,1224 4.242,1225 0.079,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.015,1234 2.092,1235 1.284,1236 2.061,1237 1.814,1238 1.752,1239 1.98,1240 2.003,1241 1.197,1242 2.001,1243 1.726,1244 1.666,1245 1.92,1246 1.963,1247 1.118,1248 1.954,1249 1.596,1250 1.539,1251 1.811,1252 1.845,1253 1.038,1254 1.824,1255 1.531,1256 1.463,1257 1.651,1258 1.779,1259 0.825,1260 1.768,1261 1.344,1262 1.284,1263 1.513,1264 1.628,1265 0.825,1266 1.577,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.736,1272 1.429,1273 1.153,1274 1.064,1275 1.435,1276 1.376,1277 0.481,1278 1.429,1279 4.369,1281 5.7,1282 2.398,1283 7.235,1284 4.844,1285 8.86,1286 7.066,1287 10.533,1291 28.01,1293 5.519,1295 4.844,1297 5.449,1299 -2.813,1300 5.676,1305 38.657,1306 110.141,1307 217.76,1308 271.102,1309 307.16,1310 319.16,1311 321.16,1312 71.087,1313 8.31,1314 118.53,1315 118.53,1316 29,1317 12.956,1318 4.17,1319 3.322,1320 51.771,1321 143,1322 190,1323 0.175,1324 232.953,1325 402.26,1326 560.166,1327 45742,1328 3.2,1329 24.363,1330 0.696,1331 0.548,1332 22.786,1333 19.185,1334 17.046,1335 0.437,1336 0.298,1337 11.33,1338 15.952,1339 11.246,1340 9.135,1341 16.135,1342 11.624,1343 15.256,1344 0.277,1345 0.152,1346 14.325,1347 8.336,1348 13.097,1349 0.172,1350 0.081,1351 12.503,1352 6.149,1353 11.297,1354 0.109,1355 0.042,1356 10.928,1357 4.328,1358 9.555,1359 0.069,1360 0.021,1361 8.902,1362 2.972,1363 0.269,1364 109.797,1365 0.195,1366 31.618,1367 0.499,1368 188,1369 706.166,1370 221.22,1371 611.79,1372 822.44,1373 576,1374 225,1375 588.639,1376 258.201,1377 575.692,1378 868.38,1379 543,1380 6.143}
{0 CHEMBL2322671,1 1.754,2 11.889,3 2.952,4 8.711,5 131.461,6 7.717,7 0.4,8 4.302,9 4.437,10 3.897,11 3.705,12 5.382,13 3.73,14 4.907,15 5.114,16 4.296,17 4.105,18 6.109,19 4.114,20 5.114,21 5.341,22 4.384,23 4.275,24 6.212,25 4.254,26 5.191,27 5.419,28 4.395,29 4.3,30 6.322,31 4.279,32 5.197,33 5.438,34 4.418,35 4.277,36 6.407,37 4.263,38 5.186,39 5.423,40 4.414,41 4.282,42 6.293,43 4.277,44 5.235,45 5.485,46 4.4,47 4.354,48 6.33,49 4.308,50 5.275,51 5.505,52 4.374,53 4.447,54 6.237,55 4.371,56 0.159,57 1.158,58 13.074,59 4.84,60 16.834,61 7.044,62 0.993,63 1.869,64 29.429,65 8.172,66 88.525,67 11.835,68 1.044,69 2.021,70 36.972,71 9.629,72 71.548,73 15.664,74 0.99,75 2.2,76 40.109,77 10.845,78 94.498,79 16.362,80 1.269,81 2.253,82 41.734,83 9.718,84 123.987,85 15.931,86 0.962,87 2.382,88 40.193,89 9.924,90 73.949,91 15.353,92 1.481,93 2.291,94 43.792,95 11.176,96 102.826,97 17.677,98 0.72,99 2.466,100 42.62,101 14.801,102 69.69,103 21.254,104 32,105 57,106 0.279,107 0.559,108 0.73,109 0.798,110 0.827,111 0.832,112 3.616,113 0.901,114 -4.55,115 -4.47,116 -4.21,119 35.4,120 1,124 1,125 8,127 1,128 1,142 4,146 1,150 3,152 1,158 1,161 1,172 3,174 11,175 2,180 1,183 2,186 2,187 6,190 2,195 1,198 8,199 4,211 5,212 4,223 3,224 6,227 1,236 8,237 6,250 5,253 2,262 5,263 2,275 2424,276 24.507,277 24.507,278 24.507,279 24.507,280 24.507,281 22.685,282 35.823,283 14.303,284 25.545,285 19.671,286 19.671,287 19.671,288 19.671,289 19.671,290 16.642,291 52.04,292 6.693,293 21.336,294 4.269,295 2.509,296 1.435,297 1.008,298 0.823,299 0.792,300 4.321,306 930,307 3.873,310 78.548,311 441.241,314 150.197,318 1.691,319 52.337,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 81.5,331 428,332 4.716,333 3.825,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.278,342 3.655,343 6.346,344 3.936,345 3.003,346 3.893,347 1.985,348 9.671,349 2.841,350 4.082,351 3.248,352 6.283,353 3.845,354 2.905,355 3.252,356 0.86,357 9.346,358 2.688,359 3.784,360 3.035,361 6.012,362 3.574,363 2.659,364 3.184,365 0.8,366 8.606,367 2.427,368 3.775,369 3.005,370 5.857,371 3.377,372 2.441,373 2.964,374 0.8,375 7.877,376 2.278,377 3.512,378 2.519,379 5.587,380 3.198,381 2.301,382 2.75,383 0.624,384 7.131,385 2.056,386 3.144,387 2.356,388 5.057,389 2.965,390 2.039,391 2.278,392 0.375,393 5.72,394 1.879,395 3.002,396 2.269,397 4.736,398 2.704,399 1.804,400 2.12,402 4.922,403 1.62,404 2.931,405 2.053,406 4.411,407 2.461,408 1.517,409 2.079,411 4.136,412 1.433,413 2.857,414 1.768,415 4.231,416 2.426,417 1.482,418 1.929,420 3.751,421 1.39,422 2.59,423 1.63,424 4.003,425 2.272,426 1.334,427 1.588,428 3.22,429 1.244,430 2.323,431 1.386,432 3.587,433 1.967,434 1.073,435 1.283,436 2.624,437 0.965,438 2.209,439 1.308,440 3.511,441 1.953,442 1,443 1.17,445 2.519,446 0.946,447 2.163,448 1.3,449 3.484,450 1.952,451 1,452 1,454 2.275,455 0.935,456 2,457 1.256,458 3.414,459 1.852,460 1,461 1,463 2.136,464 0.837,465 16.338,466 0.454,467 0.887,468 0.025,469 43.25,470 1.201,471 16.5,472 0.458,473 26.75,474 0.743,475 35.716,476 0.992,477 41.262,478 0.635,479 38.447,480 1.068,481 8.65,482 0.24,483 8.807,484 0.245,485 0.117,487 0.373,489 2,493 0.719,494 1.586,495 0.71,496 1.4,497 0.559,498 1.109,499 0.864,500 0.857,501 0.861,502 0.847,503 0.616,504 0.845,505 0.711,506 0.868,507 0.835,508 0.918,509 0.572,510 0.906,511 0.955,512 1.049,513 0.966,514 1.039,515 1.068,516 1.008,517 0.914,518 0.977,519 0.91,520 0.868,521 0.941,522 0.874,523 1.122,524 1.303,525 1.008,526 1.045,527 0.943,528 0.98,529 0.763,530 0.703,531 0.965,532 0.79,533 0.725,534 0.894,535 0.7,536 1.176,537 0.953,538 1.34,539 0.645,540 1.244,541 6.5,542 0.322,543 4.444,544 2.667,545 2.024,546 1.399,547 1.186,548 0.762,549 0.417,550 0.363,551 17995,552 52251,553 2.103,554 44.6,556 24,557 1,559 1,561 3,564 1.782,565 1.964,566 3.469,567 -0.245,573 114.001,574 1.754,575 3.514,576 4.587,577 5.015,578 5.199,579 5.23,580 2.857,581 4.461,582 5.138,583 3.678,584 2317.14,585 9.078,586 35840.6,591 391.454,592 1.426,593 5.099,594 0.162,595 0.009,596 0.078,597 0.043,598 0.033,599 0.023,600 0.019,601 0.012,602 0.007,603 0.008,604 0.395,605 0.17,606 0.63,607 1.058,608 193.261,609 -0.06,610 -0.432,611 0.072,612 -0.245,613 -0.046,614 -0.084,615 0.087,616 0.201,617 0.064,618 0.128,619 0.133,620 0.091,621 0.077,622 0.042,623 0.083,624 0.056,625 0.073,626 0.065,627 -0.081,628 -0.115,629 -0.028,630 -0.076,631 -0.104,632 -0.049,633 0.03,634 -0.015,635 0.058,636 0.061,637 0.032,638 0.064,639 -0.154,640 -0.201,641 -0.047,642 -0.091,643 -0.049,644 -0.039,645 0.133,646 0.311,647 -0.005,648 0.166,649 0.07,650 0.065,651 -0.001,652 -0.203,653 -0.056,654 -0.253,655 0.006,656 -0.185,657 4.145,658 6.04,659 0.75,660 38.574,661 1.02,662 1.156,663 3.318,664 11.01,665 0.634,666 3.714,667 4.06,668 4.382,669 4.673,670 4.956,671 5.1,672 5.328,673 5.517,674 5.649,675 5.793,676 7.115,677 0.618,678 501.61,679 3.714,680 5.273,681 6.146,682 7.041,683 7.936,684 8.841,685 9.745,686 10.655,687 11.564,688 12.477,689 13.8,691 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 65,733 17,734 1,735 40,737 69,738 23,739 10,740 2,741 4,745 1,746 5,747 6,752 2,758 1,761 11,762 12,766 1,771 1,775 1,779 2,781 29,782 12,783 1,784 13,787 1,790 9,794 0.8,795 2,811 1,812 4,815 1,827 1,835 1,839 1,840 4,844 2,846 2,848 36,854 8,855 1,856 1,858 2,859 3,869 2,870 3.1,873 1,874 1,877 18.333,878 12.219,879 7.917,880 3.999,881 3.26,882 1.39,883 0.982,884 7.397,885 11.626,886 3.912,887 4.486,888 5.099,889 5.714,890 6.289,891 6.702,892 7.193,893 7.656,894 7.954,895 8.319,896 0.875,897 62,898 13.549,900 5.97,901 7.926,902 25.319,904 20.917,905 2.426,906 87.333,910 329.591,911 102.078,912 96.425,914 36.145,915 29.92,917 102.078,918 365.736,919 126.345,920 17.222,921 24.943,922 64.03,923 110.32,924 40.212,925 19.613,926 317.82,928 329.591,929 198.503,930 66.065,933 294.278,934 90.378,935 11,936 8.115,937 63.848,938 59.399,939 67.142,941 359.511,942 132.57,943 102.078,946 337.706,947 38.837,948 66.399,949 18.011,950 133.207,951 329.591,952 162.49,953 102.078,955 0.584,956 0.353,957 0.19,958 0.108,959 28,960 13,961 0.072,962 5,963 1,964 1.074,965 4.453,966 366.836,967 0.074,968 27,969 176.117,974 24.907,975 10.691,976 5.075,977 0.933,978 160.591,979 6.927,980 18.077,984 0.456,985 1.309,986 18.011,987 594.159,988 49,993 12.572,997 0.036,999 66.316,1000 75.15,1001 0.291,1002 0.583,1003 0.762,1004 0.833,1005 0.863,1006 0.868,1007 5.182,1008 1.804,1009 6.142,1010 5.72,1011 4.745,1012 5.173,1013 3.026,1014 6.993,1015 4.591,1016 6.37,1017 1.517,1018 7.727,1019 4.922,1020 4.369,1021 5.017,1022 2.733,1023 7.974,1024 4.129,1025 7.679,1026 1.482,1027 9.414,1028 4.136,1029 6.375,1030 7.352,1031 4.118,1032 11.109,1033 6.073,1034 9.025,1035 1.334,1036 11.161,1037 3.751,1038 6.836,1039 8.079,1040 4.527,1041 12.933,1042 6.455,1043 10.41,1044 1.073,1045 12.947,1046 3.22,1047 8.31,1048 9.91,1049 5.583,1050 15.591,1051 7.864,1052 11.822,1053 1,1054 14.758,1055 2.624,1056 9.146,1057 11.054,1058 6.245,1059 17.77,1060 8.626,1061 13.255,1062 1,1063 16.589,1064 2.519,1065 10.416,1066 12.691,1067 7.174,1068 20.276,1069 9.828,1070 3.317,1071 1,1072 18.434,1073 2.275,1074 11.427,1075 14.037,1076 7.941,1077 22.614,1078 10.766,1079 3.003,1080 11.982,1081 20.291,1082 2.136,1083 12.62,1084 15.599,1085 8.82,1086 25.08,1087 11.889,1088 2.905,1089 9.671,1090 22.157,1091 4.642,1092 13.712,1093 17.041,1094 9.634,1095 27.49,1096 12.908,1097 2.659,1098 9.346,1099 24.031,1100 3.893,1101 14.881,1102 18.577,1103 10.496,1104 29.95,1105 14.005,1106 2.441,1107 8.606,1108 25.912,1109 3.252,1110 16.013,1111 20.065,1112 11.332,1113 32.394,1114 15.063,1115 2.301,1116 7.877,1117 27.8,1118 3.184,1119 17.177,1120 21.593,1121 12.19,1122 34.859,1123 16.154,1124 2.039,1125 7.131,1126 29.693,1127 2.964,1128 18.33,1129 23.103,1130 13.038,1131 37.32,1132 17.231,1133 17123,1134 29423,1135 26.759,1136 41.211,1137 61.023,1138 62.23,1139 63.216,1140 60.775,1141 60.629,1142 73.936,1143 15.64,1144 178.483,1145 55.96,1146 5.716,1147 5.825,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 18.395,1156 1.526,1157 1.556,1158 1.58,1159 1.519,1160 1.516,1161 1.848,1162 0.391,1163 4.462,1164 1.399,1165 4.142,1166 4.188,1167 4.122,1168 3.999,1169 8.362,1170 4.022,1171 3.914,1172 3.976,1173 3.853,1174 3.701,1175 7.999,1176 3.73,1177 3.802,1178 3.863,1179 3.721,1180 3.58,1181 7.427,1182 3.606,1183 3.668,1184 3.733,1185 3.566,1186 3.45,1187 5.122,1188 3.469,1189 3.56,1190 3.628,1191 3.462,1192 3.366,1193 4.91,1194 3.38,1195 3.452,1196 3.511,1197 3.382,1198 3.216,1199 4.607,1200 3.249,1201 3.174,1202 3.272,1203 3.03,1204 2.941,1205 4.368,1206 2.91,1207 3.111,1208 3.206,1209 2.971,1210 2.941,1211 4.297,1212 2.91,1213 0.118,1214 0.096,1215 0.175,1216 0.106,1217 0.083,1218 4.716,1219 0.116,1220 3.825,1221 0.059,1222 7.005,1223 0.3,1224 4.242,1225 0.077,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.015,1234 2.093,1235 1.283,1236 2.062,1237 1.816,1238 1.754,1239 1.982,1240 2.007,1241 1.196,1242 2.003,1243 1.73,1244 1.67,1245 1.921,1246 1.966,1247 1.118,1248 1.956,1249 1.61,1250 1.549,1251 1.843,1252 1.858,1253 1.015,1254 1.85,1255 1.552,1256 1.485,1257 1.652,1258 1.803,1259 0.825,1260 1.778,1261 1.347,1262 1.287,1263 1.568,1264 1.631,1265 0.825,1266 1.579,1267 1.161,1268 1.064,1269 1.513,1270 1.453,1271 0.736,1272 1.494,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.609,1278 1.429,1279 4.394,1281 5.733,1282 2.398,1283 7.274,1284 4.844,1285 8.902,1286 7.066,1287 10.577,1289 3.587,1291 28.081,1295 4.262,1296 2.977,1297 5.461,1299 -3.08,1300 5.735,1305 40.184,1306 114.001,1307 228.395,1308 298.17,1309 325.944,1310 337.944,1311 339.944,1312 73.916,1313 8.366,1314 104.54,1315 104.54,1316 29,1317 12.991,1318 4.17,1319 3.322,1320 54.039,1321 152,1322 184,1323 0.173,1324 242.546,1325 419.56,1326 583.571,1327 49038,1328 3.1,1329 25.233,1330 0.701,1331 0.563,1332 23.656,1333 20.271,1334 17.457,1335 0.436,1336 0.3,1337 11.71,1338 16.328,1339 11.525,1340 9.423,1341 16.546,1342 12.016,1343 15.734,1344 0.276,1345 0.154,1346 14.804,1347 8.752,1348 13.833,1349 0.175,1350 0.083,1351 13.239,1352 6.553,1353 11.399,1354 0.108,1355 0.042,1356 11.03,1357 4.415,1358 9.648,1359 0.068,1360 0.022,1361 8.996,1362 3.041,1363 0.266,1364 112.465,1365 0.193,1366 32.362,1367 0.491,1368 194,1369 717.187,1370 227.914,1371 622.212,1372 838.48,1373 586,1374 233,1375 602.343,1376 267.615,1377 590.766,1378 890.77,1379 556,1380 5.824}
{0 CHEMBL2322672,1 1.754,2 11.917,3 3.11,4 9.671,5 132.338,6 7.717,7 0.4,8 4.302,9 4.436,10 3.901,11 3.699,12 5.38,13 3.726,14 4.909,15 5.122,16 4.293,17 4.097,18 6.107,19 4.111,20 5.096,21 5.312,22 4.359,23 4.279,24 6.184,25 4.249,26 5.21,27 5.458,28 4.391,29 4.29,30 6.297,31 4.261,32 5.159,33 5.392,34 4.415,35 4.23,36 6.411,37 4.237,38 5.125,39 5.342,40 4.423,41 4.27,42 6.267,43 4.278,44 5.249,45 5.491,46 4.409,47 4.383,48 6.343,49 4.329,50 5.33,51 5.579,52 4.36,53 4.46,54 6.249,55 4.374,56 0.152,57 1.156,58 13.041,59 4.8,60 15.701,61 7.038,62 1.032,63 1.863,64 29.854,65 7.912,66 85.309,67 11.574,68 1.005,69 2.018,70 35.553,71 9.801,72 66.743,73 15.576,74 0.949,75 2.173,76 42.055,77 11.325,78 85.709,79 17.578,80 1.327,81 2.188,82 40.212,83 8.613,84 128.979,85 14.199,86 0.894,87 2.369,88 36.412,89 9.235,90 64.198,91 13.859,92 1.432,93 2.338,94 43.63,95 11.8,96 101.086,97 18.373,98 0.837,99 2.482,100 46.78,101 15.339,102 76.407,103 22.51,104 32,105 57,106 0.279,107 0.539,108 0.705,109 0.773,110 0.803,111 0.808,112 3.616,113 0.894,114 -4.55,115 -4.47,116 -4.21,119 35.4,124 2,125 9,128 1,142 4,146 1,150 3,152 1,158 1,161 1,172 3,174 11,175 2,183 2,186 4,187 4,195 1,198 8,199 4,211 5,212 4,223 4,224 5,236 8,237 6,249 2,250 3,262 5,263 2,275 2450,276 24.292,277 24.292,278 24.292,279 24.292,280 24.292,281 22.445,282 35.376,283 14.312,284 25.344,285 19.786,286 19.786,287 19.786,288 19.786,289 19.786,290 16.748,291 52.064,292 6.821,293 21.521,294 4.269,295 2.633,296 1.589,297 1.162,298 0.977,299 0.946,300 4.321,306 932,307 3.873,310 78.64,311 441.697,314 150.351,318 1.713,319 51.184,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 81.5,331 429,332 4.716,333 3.739,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.277,342 3.655,343 6.305,344 3.903,345 2.988,346 3.893,347 1.989,348 9.654,349 2.743,350 3.98,351 3.247,352 6.075,353 3.766,354 2.825,355 3.191,356 0.86,357 8.789,358 2.647,359 3.78,360 3.035,361 5.97,362 3.546,363 2.626,364 3.13,365 0.835,366 8.44,367 2.405,368 3.763,369 3.002,370 5.856,371 3.376,372 2.44,373 2.953,374 0.8,375 7.875,376 2.275,377 3.509,378 2.535,379 5.586,380 3.189,381 2.294,382 2.748,383 0.8,384 7.125,385 2.045,386 3.153,387 2.473,388 4.789,389 3.012,390 2.107,391 2.271,392 0.543,393 5.364,394 1.904,395 3.043,396 2.274,397 4.704,398 2.724,399 1.821,400 2.134,402 4.94,403 1.643,404 2.934,405 2.222,406 4.414,407 2.481,408 1.553,409 2.101,411 4.137,412 1.436,413 2.858,414 1.769,415 4.254,416 2.452,417 1.492,418 1.937,420 3.892,421 1.422,422 2.75,423 1.63,424 4.005,425 2.372,426 1.408,427 1.76,428 3.232,429 1.352,430 2.349,431 1.386,432 3.791,433 2.047,434 1.127,435 1.303,436 2.824,437 1.026,438 2.29,439 1.308,440 3.587,441 1.967,442 1,443 1.221,445 2.59,446 0.965,447 2.19,448 1.3,449 3.49,450 1.952,451 1,452 1.151,454 2.519,455 0.946,456 2,457 1.256,458 3.414,459 1.901,460 1,461 1,463 2.275,464 0.893,465 16.338,466 0.454,467 0.942,468 0.026,469 43.5,470 1.208,471 16.5,472 0.458,473 27,474 0.75,475 34.961,476 0.971,477 41.262,478 0.635,479 38.933,480 1.081,481 8.835,482 0.245,483 8.567,484 0.238,485 0.117,487 0.367,489 2,493 0.709,494 1.636,495 0.702,496 1.441,497 0.548,498 1.132,499 0.905,500 0.795,501 0.868,502 0.757,503 0.607,504 0.781,505 0.713,506 0.915,507 0.911,508 1.021,509 0.612,510 1.02,511 0.794,512 1.023,513 0.81,514 0.996,515 0.86,516 0.918,517 1.084,518 0.958,519 0.958,520 0.777,521 1.147,522 0.811,523 1.211,524 1.373,525 1.079,526 1.092,527 1.013,528 1.03,529 0.726,530 0.775,531 0.996,532 0.917,533 0.716,534 1.003,535 0.688,536 1.064,537 0.92,538 1.216,539 0.62,540 1.148,541 7,542 0.293,543 4,544 2.542,545 2.024,546 1.482,547 1.167,548 0.728,549 0.466,550 0.344,551 18139,552 52495,553 2.103,554 44.6,556 28,557 1,564 1.782,565 1.964,566 3.471,567 -0.634,573 114.001,574 1.754,575 3.39,576 4.433,577 4.861,578 5.045,579 5.076,580 2.896,581 4.406,582 5.136,583 3.7,584 2330.9,585 9.075,586 36111.2,591 391.454,592 1.426,593 5.099,594 0.175,595 0.009,596 0.07,597 0.042,598 0.033,599 0.024,600 0.019,601 0.012,602 0.008,603 0.007,604 0.399,605 0.17,606 0.63,607 1.058,608 193.513,609 -0.051,610 -0.483,611 0.08,612 -0.287,613 -0.04,614 -0.107,615 0.063,616 0.255,617 0.066,618 0.195,619 0.139,620 0.142,621 0.067,622 0.021,623 -0.009,624 -0.022,625 0.035,626 -0.041,627 0.01,628 -0.134,629 0.14,630 -0.036,631 -0.02,632 0.063,633 -0.034,634 0.019,635 0.024,636 0.122,637 -0.012,638 0.094,639 -0.204,640 -0.193,641 -0.137,642 -0.122,643 -0.074,644 -0.103,645 0.144,646 0.251,647 -0.051,648 0.065,649 0.067,650 -0.03,651 0.006,652 -0.143,654 -0.159,655 0.012,656 -0.092,657 4.143,658 6.038,659 0.75,660 39.457,661 1.02,662 1.156,663 3.318,664 11.01,665 0.634,666 3.714,667 4.06,668 4.357,669 4.673,670 4.956,671 5.1,672 5.318,673 5.509,674 5.656,675 5.781,676 7.184,677 0.618,678 501.61,679 3.714,680 5.273,681 6.138,682 7.034,683 7.923,684 8.829,685 9.729,686 10.64,687 11.547,688 12.461,689 13.8,692 1,695 2,696 1,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 65,733 17,734 1,735 40,737 69,738 23,739 10,740 2,741 4,745 1,746 5,747 6,752 1,761 11,762 12,766 1,771 1,775 1,779 2,781 29,782 12,784 13,787 1,790 9,794 0.8,795 2,811 1,812 4,815 1,827 1,836 1,839 1,840 4,844 2,846 2,848 36,854 9,856 1,858 1,859 4,869 2,870 3.1,873 1,874 1,877 18.333,878 12.336,879 7.806,880 3.874,881 3.26,882 1.39,883 0.985,884 7.397,885 11.626,886 3.912,887 4.486,888 5.081,889 5.717,890 6.289,891 6.702,892 7.191,893 7.654,894 7.954,895 8.316,896 0.875,897 60,898 13.543,900 5.941,901 7.917,902 25.344,904 20.849,905 2.417,906 87,910 341.362,911 103.755,912 81.538,914 36.145,915 29.92,917 103.755,918 377.507,919 111.459,920 16.793,921 27.049,922 46.02,923 110.32,924 43.336,925 19.613,926 329.591,928 341.362,929 185.294,930 66.065,933 341.362,934 55.065,935 11,936 8.115,937 42.242,938 67.795,939 67.142,941 371.282,942 117.683,943 103.755,946 349.477,947 40.943,948 69.094,950 133.207,951 341.362,952 147.604,953 103.755,955 0.584,956 0.336,957 0.19,958 0.109,959 28,960 13,961 0.072,962 5,963 1,964 1.074,965 4.474,966 365.374,967 0.074,968 27,969 168.117,974 24.907,975 10.691,976 5.352,977 0.938,978 145.704,979 6.933,980 18.082,984 0.471,985 1.311,987 592.721,988 49,993 12.472,997 0.066,999 66.316,1000 75.15,1001 0.291,1002 0.563,1003 0.736,1004 0.807,1005 0.838,1006 0.843,1007 5.182,1008 1.821,1009 6.133,1010 5.364,1011 4.745,1012 5.173,1013 3.057,1014 6.974,1015 4.585,1016 6.37,1017 1.553,1018 7.708,1019 4.94,1020 4.369,1021 5.017,1022 2.757,1023 7.932,1024 4.112,1025 7.675,1026 1.492,1027 9.385,1028 4.137,1029 6.361,1030 7.344,1031 4.128,1032 11.065,1033 6.045,1034 9.016,1035 1.408,1036 11.122,1037 3.892,1038 6.804,1039 8.063,1040 4.532,1041 12.88,1042 6.393,1043 10.396,1044 1.127,1045 12.899,1046 3.232,1047 8.28,1048 9.899,1049 5.587,1050 15.538,1051 7.809,1052 11.803,1053 1,1054 14.704,1055 2.824,1056 9.101,1057 11.04,1058 6.248,1059 17.719,1060 8.542,1061 13.231,1062 1,1063 16.528,1064 2.59,1065 10.373,1066 12.681,1067 7.176,1068 20.228,1069 9.748,1070 3.317,1071 1,1072 18.369,1073 2.519,1074 11.375,1075 14.028,1076 7.943,1077 22.572,1078 10.668,1079 2.988,1080 11.982,1081 20.222,1082 2.275,1083 12.569,1084 15.592,1085 8.822,1086 25.041,1087 11.791,1088 2.825,1089 9.654,1090 22.086,1091 4.642,1092 13.658,1093 17.036,1094 9.636,1095 27.457,1096 12.801,1097 2.626,1098 8.789,1099 23.959,1100 3.893,1101 14.828,1102 18.573,1103 10.498,1104 29.921,1105 13.897,1106 2.44,1107 8.44,1108 25.839,1109 3.191,1110 15.96,1111 20.062,1112 11.334,1113 32.371,1114 14.951,1115 2.294,1116 7.875,1117 27.727,1118 3.13,1119 17.126,1120 21.591,1121 12.191,1122 34.839,1123 16.042,1124 2.107,1125 7.125,1126 29.621,1127 2.953,1128 18.28,1129 23.101,1130 13.039,1131 37.304,1132 17.118,1133 17255,1134 29604,1135 26.759,1136 41.211,1137 61.476,1138 62.223,1139 62.66,1140 61.072,1141 60.995,1142 74.326,1143 16.401,1144 178.167,1145 56.152,1146 5.716,1147 5.739,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 18.496,1156 1.537,1157 1.556,1158 1.566,1159 1.527,1160 1.525,1161 1.858,1162 0.41,1163 4.454,1164 1.404,1165 4.142,1166 4.188,1167 4.122,1168 3.999,1169 8.362,1170 4.022,1171 3.911,1172 3.974,1173 3.851,1174 3.695,1175 7.999,1176 3.725,1177 3.796,1178 3.859,1179 3.711,1180 3.571,1181 7.427,1182 3.596,1183 3.662,1184 3.733,1185 3.562,1186 3.43,1187 5.122,1188 3.455,1189 3.565,1190 3.636,1191 3.461,1192 3.356,1193 4.91,1194 3.371,1195 3.456,1196 3.514,1197 3.388,1198 3.219,1199 4.607,1200 3.253,1201 3.212,1202 3.273,1203 3.098,1204 2.944,1205 4.337,1206 2.965,1207 3.111,1208 3.206,1209 2.985,1210 2.941,1211 4.286,1212 2.91,1213 0.118,1214 0.093,1215 0.175,1216 0.106,1217 0.083,1218 4.716,1219 0.116,1220 3.739,1221 0.059,1222 7.005,1223 0.3,1224 4.242,1225 0.077,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.014,1234 2.092,1235 1.281,1236 2.061,1237 1.813,1238 1.749,1239 1.977,1240 2.004,1241 1.196,1242 2.001,1243 1.725,1244 1.663,1245 1.92,1246 1.964,1247 1.118,1248 1.955,1249 1.599,1250 1.537,1251 1.834,1252 1.858,1253 0.981,1254 1.85,1255 1.547,1256 1.471,1257 1.654,1258 1.809,1259 0.825,1260 1.782,1261 1.352,1262 1.292,1263 1.513,1264 1.637,1265 0.825,1266 1.584,1267 1.153,1268 1.064,1269 1.513,1270 1.418,1271 0.737,1272 1.429,1273 1.153,1274 1.064,1275 1.459,1276 1.376,1277 0.576,1278 1.429,1279 4.394,1281 5.733,1282 2.398,1283 7.266,1284 4.844,1285 8.887,1286 7.066,1287 10.557,1289 3.724,1291 28.076,1295 4.673,1297 5.462,1299 -2.81,1300 7.601,1305 40.184,1306 114.001,1307 220.338,1308 288.17,1309 315.944,1310 327.944,1311 329.944,1312 71.984,1313 8.366,1314 95.75,1315 95.75,1316 29,1317 12.975,1318 4.17,1319 3.322,1320 54.058,1321 153,1322 182,1323 0.171,1324 242.546,1325 419.56,1326 583.571,1327 49268,1328 3.1,1329 25.233,1330 0.701,1331 0.565,1332 23.656,1333 20.348,1334 17.402,1335 0.435,1336 0.298,1337 11.606,1338 16.238,1339 11.395,1340 9.33,1341 16.491,1342 11.926,1343 16.096,1344 0.282,1345 0.159,1346 15.166,1347 9.035,1348 13.196,1349 0.171,1350 0.081,1351 12.602,1352 6.243,1353 11.542,1354 0.109,1355 0.042,1356 11.173,1357 4.417,1358 9.673,1359 0.069,1360 0.022,1361 9.021,1362 3.04,1363 0.264,1364 112.36,1365 0.193,1366 32.421,1367 0.485,1368 194,1369 722.499,1370 227.942,1371 627.34,1372 841.26,1373 590,1374 231,1375 599.625,1376 265.783,1377 591.313,1378 887.33,1379 553,1380 5.796}
{0 CHEMBL2322763,1 1.856,2 10.8,3 4.145,4 17.178,5 115.018,6 9.754,7 0.5,8 3.963,9 4.05,10 3.791,11 3.605,12 5.183,13 3.589,14 4.459,15 4.563,16 4.233,17 4.033,18 5.722,19 3.993,20 4.705,21 4.83,22 4.386,23 4.18,24 5.939,25 4.132,26 4.74,27 4.869,28 4.415,29 4.221,30 5.944,31 4.141,32 4.752,33 4.898,34 4.35,35 4.142,36 6.051,37 4.068,38 4.633,39 4.81,40 4.15,41 3.991,42 5.784,43 3.905,44 4.542,45 4.716,46 4.05,47 3.873,48 5.742,49 3.816,50 4.485,51 4.662,52 3.829,53 3.775,54 5.69,55 3.719,56 0.145,57 0.668,58 5.137,59 3.645,60 13.582,61 3.589,62 0.377,63 1.07,64 10.874,65 6.637,66 31.624,67 6.851,68 0.522,69 1.31,70 20.693,71 9.192,72 47.679,73 9.091,74 0.459,75 1.41,76 24.4,77 10.304,78 41.854,79 9.66,80 0.719,81 1.38,82 28.746,83 10.708,84 67.376,85 10.346,86 0.493,87 1.245,88 24.485,89 9,90 51.564,91 9.055,92 0.533,93 1.173,94 21.183,95 7.669,96 53.259,97 7.498,98 0.461,99 1.045,100 18.893,101 7.503,102 51.56,103 7.62,104 18,105 50,106 0.314,107 0.677,108 0.8,109 0.89,110 0.905,111 0.905,112 3.441,113 0.913,114 -4.81,115 -4.72,116 -4.43,119 46.7,121 1,125 1,142 8,143 3,144 3,152 2,158 2,159 1,163 1,164 1,165 1,168 1,172 9,174 2,175 5,177 1,178 3,180 1,183 12,185 1,186 1,187 12,192 2,195 10,197 2,199 9,204 4,207 8,209 1,211 1,212 13,214 1,215 1,217 5,220 8,222 1,224 5,229 3,232 8,236 2,237 9,242 4,245 7,247 3,250 4,253 1,255 3,258 8,260 1,262 1,263 3,268 1,271 7,275 1336,276 20.361,277 20.361,278 20.361,279 20.361,280 20.361,281 17.855,282 20.928,283 11.714,284 20.883,285 16.776,286 16.776,287 16.776,288 16.776,289 16.776,290 12.852,291 22.216,292 5.525,293 17.705,294 3.635,295 1.483,296 0.756,297 0.222,298 0.133,299 0.133,300 4.15,301 1,304 1,305 1,306 716,307 2.915,310 114.771,311 144.023,312 67.587,315 97.101,316 112.604,318 1.627,319 34.52,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 65.333,331 324,332 4.604,333 3.838,334 6.962,335 4.229,336 3.296,337 4.288,338 1.685,339 11.781,340 3.079,341 4.445,342 3.513,343 6.717,344 4.092,345 3.138,346 3.972,347 0.98,348 10.946,349 2.984,350 4.168,351 3.291,352 6.1,353 3.762,354 2.785,355 3.777,356 0.86,357 8.862,358 2.724,359 3.957,360 3.12,361 5.939,362 3.531,363 2.582,364 3.384,365 0.761,366 8.218,367 2.421,368 3.729,369 2.941,370 5.673,371 3.333,372 2.368,373 3.078,374 0.087,375 7.376,376 2.263,377 3.414,378 2.652,379 5.393,380 3.021,381 2.051,382 2.62,384 6.426,385 1.969,386 3.021,387 2.183,388 4.725,389 2.729,390 1.81,391 2.149,393 4.942,394 1.646,395 2.898,396 2.012,397 4.424,398 2.469,399 1.5,400 2.056,402 4.004,403 1.453,404 2.841,405 1.878,406 4.195,407 2.343,408 1.414,409 1.959,411 3.418,412 1.291,413 2.797,414 1.626,415 3.895,416 2.302,417 1.296,418 1.829,420 3.071,421 1.235,422 2.738,423 1.523,424 3.769,425 2.155,426 1.204,427 1.721,428 2.993,429 1.127,430 2.4,431 1.184,432 3.686,433 1.922,434 0.96,435 1.319,436 2.48,437 0.912,438 2.13,439 0.992,440 3.551,441 1.775,442 0.819,443 1.047,445 2.104,446 0.776,447 2.018,448 0.934,449 3.394,450 1.695,451 0.801,452 0.941,454 2.092,455 0.697,456 1.257,457 0.649,458 2.782,459 0.923,460 -0.017,461 -0.02,463 -0.042,464 -0.015,465 14.648,466 0.488,467 0.819,468 0.027,469 41.25,470 1.375,471 21.5,472 0.717,473 19.75,474 0.658,475 25.462,476 0.849,477 30.352,478 0.674,479 31.61,480 1.054,481 8.077,482 0.269,483 6.448,484 0.215,485 0.122,487 0.403,493 0.726,494 0.948,495 0.587,496 0.733,497 0.623,498 0.699,499 0.666,500 0.887,501 0.674,502 0.788,503 0.509,504 0.799,505 1.014,506 1.036,507 0.909,508 0.98,509 0.865,510 0.9,511 1.007,512 1.21,513 1.232,514 1.262,515 0.854,516 1.091,517 0.835,518 1.114,519 1.197,520 1.268,521 0.815,522 1.09,523 1.04,524 1.092,525 0.898,526 0.954,527 0.996,528 1.014,529 1.033,530 1.036,531 1.037,532 1.006,533 1.131,534 0.961,535 1.117,536 1.011,537 0.976,538 1.021,539 1.22,540 1.052,541 5.5,542 0.144,543 4,544 2.632,545 2.201,546 1.143,547 0.66,548 0.572,549 0.358,550 0.208,551 11383,552 38376,553 2.145,554 33.3,556 10,559 3,561 2,564 1.731,565 2,566 3.387,567 0.933,569 1,573 83.536,574 1.856,575 4.008,576 4.736,577 5.27,578 5.359,579 5.359,580 2.886,581 4.574,582 4.878,583 3.545,584 1542.15,585 8.525,586 20401.5,588 1,590 1,591 247.133,592 1.429,593 4.837,594 0.162,595 0.007,596 0.08,597 0.048,598 0.042,599 0.023,600 0.016,601 0.015,602 0.011,603 0.008,604 0.411,605 0.33,606 0.88,607 0.715,608 151.578,609 -0.065,610 0.116,611 0.016,612 0.088,613 -0.087,614 0.072,615 0.124,616 0.14,617 0.062,618 0.114,619 0.096,620 0.045,621 -0.065,622 -0.059,623 0.02,624 0.012,625 -0.027,626 0.026,627 -0.139,628 -0.182,629 -0.119,630 -0.153,631 -0.082,632 -0.141,633 0.125,634 -0.104,635 -0.071,636 -0.166,637 0.102,638 -0.102,639 -0.149,640 -0.087,641 0.051,642 0.04,643 -0.106,644 -0.017,645 -0.085,646 0.03,647 -0.06,648 -0.017,649 -0.14,650 -0.001,651 -0.135,652 -0.03,653 -0.119,654 -0.08,655 -0.131,656 -0.067,657 2.169,658 5.491,659 0.833,660 26.138,661 1.024,662 1.111,663 3.582,664 12.829,665 0.744,666 3.555,667 3.932,668 4.277,669 4.605,670 4.86,671 5.043,672 5.231,673 5.421,674 5.598,675 5.7,676 6.331,677 0.72,678 438.92,679 3.555,680 5.13,681 6.019,682 6.93,683 7.839,684 8.756,685 9.672,686 10.592,687 11.511,688 12.433,689 8.9,696 3,698 1,704 8,708 1,709 8,711 17,717 1,729 1,730 1,731 45,733 20,734 2,735 34,737 49,738 21,739 16,740 5,741 7,742 2,746 5,747 8,748 1,751 1,755 1,758 1,761 19,762 2,766 3,771 2,774 1,775 3,778 1,781 15,782 7,783 3,784 9,785 2,790 4,791 1,794 0.6,795 3,811 2,812 2,813 1,816 1,817 1,840 3,842 1,845 1,848 30,849 1,854 2,855 1,856 1,859 1,865 1,869 1,870 6.7,873 2,875 1,877 15,878 8.21,879 6.417,880 2.584,881 3.675,882 1.434,883 1.048,884 4.912,885 12.146,886 3.839,887 4.469,888 5.081,889 5.693,890 6.205,891 6.571,892 7.01,893 7.413,894 7.818,895 8.162,896 1,897 55,898 11.077,900 4.929,901 7.909,902 20.75,904 17.576,905 2.409,906 72.278,909 1,910 141.253,911 149.297,912 70.573,913 39.149,914 61.29,916 31.278,917 118.02,918 241.692,919 70.573,921 61.037,922 75.81,923 57.322,924 48.72,925 6.993,926 172.531,927 39.149,928 141.253,929 188.592,930 61.29,931 70.426,933 117.711,934 84.832,937 77.7,938 110.893,939 39.149,940 31.278,941 141.253,942 131.862,943 188.446,946 141.253,947 73.487,948 78.934,949 17.888,950 149.999,951 141.253,952 131.862,953 188.446,955 0.594,956 0.36,957 0.201,958 0.112,959 27,960 12,961 0.061,962 3,963 2,964 1.16,965 4.009,966 292.837,967 0.16,968 25,969 147.207,970 1,974 19.396,975 7.597,976 3.373,978 131.862,979 14.339,983 1.505,984 5.828,986 50.785,987 461.562,988 45.5,993 24.015,996 4.248,997 -0.378,999 46.091,1000 49.977,1001 0.338,1002 0.73,1003 0.862,1004 0.96,1005 0.976,1006 0.976,1007 5.107,1008 1.5,1009 6.028,1010 4.942,1011 4.615,1012 5.156,1013 2.326,1014 6.907,1015 4.509,1016 6.336,1017 1.414,1018 7.629,1019 4.004,1020 4.29,1021 5.017,1022 1.305,1023 7.932,1024 4.12,1025 7.665,1026 1.296,1027 9.331,1028 3.418,1029 6.271,1030 7.358,1031 2.722,1032 11.082,1033 6.067,1034 9.03,1035 1.204,1036 11.093,1037 3.071,1038 6.781,1039 8.037,1040 2.44,1041 12.948,1042 6.5,1043 10.426,1044 0.96,1045 12.892,1046 2.993,1047 8.237,1048 9.851,1049 3.427,1050 15.616,1051 7.925,1052 11.845,1053 0.819,1054 14.718,1055 2.48,1056 9.113,1057 10.903,1058 3.548,1059 17.818,1060 8.721,1061 13.282,1062 0.801,1063 16.562,1064 2.104,1065 10.376,1066 12.501,1067 4.314,1068 20.332,1069 9.945,1070 3.296,1071 -0.017,1072 18.42,1073 2.092,1074 11.414,1075 13.734,1076 4.635,1077 22.673,1078 10.906,1079 3.138,1080 11.781,1081 20.29,1082 -0.042,1083 12.607,1084 15.237,1085 5.286,1086 25.136,1087 12.051,1088 2.785,1089 10.946,1090 22.168,1091 4.288,1092 13.716,1093 16.562,1094 5.705,1095 27.536,1096 13.086,1097 2.582,1098 8.862,1099 24.053,1100 3.972,1101 14.888,1102 18.022,1103 6.297,1104 29.985,1105 14.201,1106 2.368,1107 8.218,1108 25.945,1109 3.777,1110 16.029,1111 19.395,1112 6.764,1113 32.411,1114 15.272,1115 2.051,1116 7.376,1117 27.841,1118 3.384,1119 17.196,1120 20.837,1121 7.325,1122 34.858,1123 16.378,1124 1.81,1125 6.426,1126 29.742,1127 3.078,1128 18.353,1129 22.238,1130 7.817,1131 37.296,1132 17.466,1133 10661,1134 19718,1135 22.887,1136 33.46,1137 52.852,1138 54.385,1139 54.492,1140 52.197,1141 52.046,1142 68.282,1143 8.745,1144 157.425,1145 49.155,1146 5.482,1147 5.838,1148 6.646,1149 5.388,1150 5.296,1151 7.288,1152 2.94,1153 19.199,1154 5.079,1155 14.455,1156 1.554,1157 1.6,1158 1.603,1159 1.535,1160 1.531,1161 2.008,1162 0.257,1163 4.63,1164 1.446,1165 4.071,1166 4.084,1167 4.296,1168 4.06,1169 7.438,1170 4.02,1171 3.93,1172 3.956,1173 4.014,1174 3.85,1175 7.43,1176 3.849,1177 3.78,1178 3.799,1179 3.836,1180 3.741,1181 4.963,1182 3.718,1183 3.597,1184 3.646,1185 3.606,1186 3.357,1187 4.914,1188 3.4,1189 3.33,1190 3.36,1191 3.344,1192 3.159,1193 4.83,1194 3.141,1195 3.292,1196 3.347,1197 3.287,1198 3.047,1199 4.702,1200 3.086,1201 2.881,1202 2.922,1203 3.202,1204 2.803,1205 4.366,1206 2.775,1207 2.857,1208 2.903,1209 2.787,1210 2.721,1211 4.334,1212 2.713,1213 0.135,1214 0.113,1215 0.205,1216 0.124,1217 0.097,1218 4.604,1219 0.126,1220 3.838,1221 0.05,1222 6.962,1223 0.346,1224 4.229,1225 0.091,1226 3.296,1227 4.288,1228 1.685,1229 11.781,1230 3.079,1231 1.915,1232 1.905,1233 1.982,1234 1.993,1235 1.167,1236 1.991,1237 1.884,1238 1.861,1239 1.969,1240 1.97,1241 1.096,1242 1.977,1243 1.663,1244 1.629,1245 1.84,1246 1.795,1247 1.07,1248 1.811,1249 1.459,1250 1.456,1251 1.481,1252 1.588,1253 0.706,1254 1.575,1255 1.273,1256 1.244,1257 1.397,1258 1.557,1259 0.525,1260 1.518,1261 1.192,1262 1.151,1263 1.29,1264 1.547,1265 0.281,1266 1.481,1267 0.986,1268 0.931,1269 1.195,1270 1.23,1271 0.191,1272 1.236,1273 0.877,1274 0.824,1275 1.113,1276 1.038,1277 0.161,1278 1.082,1279 4.234,1281 5.595,1282 3.045,1283 7.141,1284 5.476,1285 8.775,1286 7.627,1287 10.457,1290 6.325,1293 5.4,1295 1.156,1296 2.523,1297 5.843,1300 1.473,1305 32.405,1306 83.536,1307 180.379,1308 213.133,1309 237.133,1310 241.133,1311 241.133,1312 51.29,1313 8.471,1314 103,1315 131.24,1316 29,1317 12.941,1318 4.392,1319 3.644,1320 41.492,1321 115,1322 114,1323 0.181,1324 201.671,1325 352.41,1326 483.837,1327 60211,1328 2.2,1329 20.828,1330 0.694,1331 0.57,1332 21.681,1333 17.088,1334 14.525,1335 0.427,1336 0.304,1337 9.129,1338 13.276,1339 8.879,1340 7.262,1341 15.222,1342 10.346,1343 13.549,1344 0.271,1345 0.165,1346 14.535,1347 8.237,1348 11.895,1349 0.168,1350 0.091,1351 13.093,1352 6.461,1353 10.343,1354 0.104,1355 0.05,1356 11.64,1357 4.965,1358 8.582,1359 0.067,1360 0.027,1361 9.833,1362 3.517,1363 0.279,1364 98.167,1365 0.209,1366 27.78,1367 0.514,1368 168,1369 531.206,1370 224.885,1371 562.223,1372 762.35,1373 524,1374 205,1375 530.855,1376 258.641,1377 559.212,1378 831.86,1379 528,1380 7.699}
{0 CHEMBL2322764,1 1.703,2 9.28,3 3.271,4 10.699,5 99.829,6 8.243,7 0.571,8 3.886,9 3.995,10 3.59,11 3.477,12 5.016,13 3.442,14 4.413,15 4.569,16 4.011,17 3.891,18 5.534,19 3.835,20 4.635,21 4.803,22 4.123,23 4.046,24 5.706,25 3.975,26 4.722,27 4.904,28 4.167,29 4.113,30 5.786,31 4,32 4.656,33 4.846,34 3.878,35 4.002,36 5.693,37 3.859,38 4.508,39 4.727,40 3.643,41 3.792,42 5.425,43 3.659,44 4.434,45 4.649,46 3.706,47 3.648,48 5.523,49 3.582,50 4.361,51 4.573,52 3.41,53 3.564,54 5.432,55 3.466,56 0.067,57 0.667,58 8.16,59 3.995,60 9.051,61 4.705,62 0.24,63 1.079,64 16.882,65 7.102,66 29.592,67 8.433,68 0.3,69 1.307,70 23.76,71 8.756,72 30.002,73 10.308,74 0.316,75 1.444,76 29.241,77 10.456,78 36.086,79 11.924,80 0.401,81 1.309,82 28.321,83 10.32,84 41.025,85 12.011,86 0.219,87 1.117,88 25.616,89 8.91,90 21.963,91 10.762,92 0.354,93 1.032,94 19.393,95 6.219,96 32.592,97 8.159,98 0.258,99 0.928,100 18.011,101 6.367,102 32.366,103 8.069,104 21,105 41,106 0.294,107 0.674,108 0.804,109 0.836,110 0.844,111 0.844,112 3.268,113 0.96,114 -4.89,115 -4.8,116 -4.5,119 41.9,120 2,121 1,125 1,127 1,142 4,143 3,144 1,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 6,177 1,178 1,180 1,183 10,185 1,187 11,192 2,195 7,197 2,199 10,204 1,207 7,209 1,211 1,212 6,214 1,215 1,217 1,220 10,222 1,224 4,232 3,236 2,237 8,242 3,245 4,247 3,249 1,250 5,255 1,258 2,260 1,263 3,271 4,275 816,276 16.792,277 16.792,278 16.792,279 16.792,280 16.792,281 14.859,282 16.693,283 9.646,284 17.234,285 13.816,286 13.816,287 13.816,288 13.816,289 13.816,290 10.699,291 14.342,292 4.528,293 14.559,294 3.724,295 1.527,296 0.779,297 0.593,298 0.547,299 0.547,300 3.963,303 1,304 1,305 1,306 503,307 3.162,310 95.308,311 50.167,312 54.115,315 78.613,316 89.851,318 1.594,319 22.531,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 232,332 4.589,333 3.514,334 6.774,335 4.179,336 3.236,337 4.316,338 0.98,339 11.158,340 3.06,341 4.364,342 3.313,343 6.59,344 3.977,345 3.027,346 4.001,347 0.86,348 10.424,349 2.867,350 4.099,351 3.116,352 6.005,353 3.723,354 2.736,355 3.651,357 8.561,358 2.693,359 3.746,360 2.752,361 5.731,362 3.373,363 2.403,364 3.118,366 7.575,367 2.321,368 3.305,369 2.238,370 5.421,371 3.039,372 2.08,373 2.488,375 6.482,376 1.984,377 3.021,378 2.17,379 4.725,380 2.73,381 1.811,382 2.149,384 4.942,385 1.646,386 2.909,387 1.878,388 4.319,389 2.489,390 1.561,391 2.024,393 3.861,394 1.439,395 2.795,396 1.601,397 3.9,398 2.302,399 1.293,400 1.829,402 3.092,403 1.29,404 2.461,405 1.198,406 3.773,407 2.016,408 1.05,409 1.426,411 2.627,412 1.005,413 2.235,414 1.007,415 3.51,416 1.705,417 0.816,418 1.105,420 2.112,421 0.708,422 2.126,423 0.78,424 3.389,425 1.681,426 0.759,427 1.044,428 1.989,429 0.693,430 2.078,431 0.728,432 3.283,433 1.658,434 0.721,435 0.957,436 1.742,437 0.673,438 1.185,439 0.178,440 2.76,441 0.882,442 -0.054,443 -0.063,445 -0.139,446 -0.05,447 0.968,448 0.158,449 2.593,450 0.603,451 -0.343,452 -0.424,454 -0.913,455 -0.318,456 0.577,457 -0.137,458 2.395,459 0.16,460 -0.811,461 -1,463 -2,464 -0.772,465 12.1,466 0.484,467 0.716,468 0.029,469 32.25,470 1.29,471 16,472 0.64,473 16.25,474 0.65,475 22.085,476 0.883,477 26.3,478 0.612,479 22.082,480 0.883,481 6.018,482 0.241,483 6.024,484 0.241,485 0.143,487 0.405,493 0.762,494 1.086,495 0.713,496 0.897,497 0.719,498 0.858,499 0.841,500 0.905,501 0.734,502 0.793,503 0.498,504 0.767,505 1.182,506 0.992,507 0.952,508 0.938,509 0.864,510 0.873,511 1.02,512 1.08,513 1.216,514 1.174,515 0.92,516 1.03,517 0.813,518 1.113,519 1.443,520 1.337,521 0.732,522 1.235,523 0.791,524 1.2,525 1.318,526 1.311,527 0.63,528 1.127,529 0.981,530 1.093,531 0.81,532 0.93,533 1.243,534 0.975,535 1.076,536 1.134,537 1.093,538 1.136,539 1.142,540 1.209,541 5,542 0.104,543 3.333,544 1.938,545 1.748,546 0.889,547 0.565,548 0.385,549 0.266,550 0.153,551 6663,552 18962,553 2.105,554 41.9,556 7,558 1,559 2,561 8,564 1.683,565 1.948,566 3.197,567 0.312,568 1,569 1,573 73.212,574 1.703,575 3.899,576 4.647,577 4.833,578 4.88,579 4.88,580 2.709,581 4.324,582 4.613,583 3.351,584 1005.27,585 7.993,586 11654,588 1,590 1,591 233.329,592 1.473,593 4.565,594 0.179,595 0.012,596 0.081,597 0.044,598 0.042,599 0.027,600 0.02,601 0.014,602 0.012,603 0.012,604 0.442,605 0.33,606 1,607 0.9,608 118.456,609 -0.008,610 0.035,611 0.064,612 0.048,613 -0.09,614 0.042,615 0.078,616 0.156,617 0.176,618 0.19,619 0.166,620 0.171,621 -0.148,622 0.039,623 0.047,624 0.088,625 -0.037,626 0.08,627 -0.111,628 -0.024,629 -0.028,630 -0.03,631 -0.084,632 -0.042,633 0.035,634 -0.094,635 -0.275,636 -0.196,637 0.001,638 -0.227,639 -0.048,640 -0.215,641 -0.173,642 -0.2,643 -0.013,644 -0.095,645 0.055,646 -0.084,647 0.042,648 -0.073,649 -0.064,650 -0.053,651 -0.085,652 -0.162,653 -0.242,654 -0.252,655 -0.074,656 -0.265,657 2.118,658 4.43,659 0.76,660 20.368,661 1.008,662 1.122,663 3.661,664 13.405,665 0.696,666 3.367,667 3.738,668 4.06,669 4.369,670 4.585,671 4.804,672 4.984,673 5.142,674 5.283,675 5.371,676 5.589,677 0.66,678 354.47,679 3.367,680 4.934,681 5.814,682 6.72,683 7.62,684 8.531,685 9.439,686 10.352,687 11.263,688 12.178,689 9.3,696 1,697 1,699 2,704 5,705 2,708 1,709 7,710 1,711 16,717 1,729 1,731 43,733 17,734 1,735 28,737 46,738 18,739 12,740 3,741 3,742 1,746 4,747 7,752 2,755 1,758 2,761 13,762 5,766 1,771 1,775 1,777 1,778 1,781 18,782 5,783 2,784 7,785 1,790 4,794 0.5,795 2,811 2,812 1,813 1,816 1,817 1,840 2,842 1,844 2,848 25,849 1,854 2,856 1,858 1,865 1,867 1,870 4.7,873 1,875 1,877 12.833,878 8.433,879 5.361,880 2.639,881 3.171,882 1.409,883 1.008,884 4.178,885 10.929,886 3.638,887 4.277,888 4.916,889 5.54,890 5.991,891 6.452,892 6.912,893 7.31,894 7.709,895 8.06,896 1,897 44,898 9.222,900 3.982,901 7.74,902 17.658,904 14.817,905 2.24,906 56,909 1,910 188.338,911 127.128,912 68.122,914 36.145,916 31.278,917 95.85,918 224.482,919 68.122,920 17.65,921 40.024,922 37.905,923 77.397,924 36.195,925 2.717,926 207.844,928 188.338,929 163.973,930 36.145,931 31.278,933 94.169,934 130.314,937 70.398,938 60.127,939 33.449,940 31.278,941 188.338,942 104.267,943 127.128,946 188.338,947 62.954,948 65.951,950 102.491,951 188.338,952 104.267,953 127.128,955 0.594,956 0.354,957 0.194,958 0.102,959 22,960 10,961 0.065,962 3,963 2,964 1.211,965 3.591,966 221.542,967 0.211,968 19,969 114.096,970 1,974 16.431,975 6.356,976 2.897,978 102.491,979 9.144,980 8.766,983 1.675,984 6.49,985 1.929,986 32.897,987 419.733,988 37,993 11.43,997 -0.451,999 43.323,1000 48.238,1001 0.314,1002 0.719,1003 0.856,1004 0.891,1005 0.899,1006 0.899,1007 4.898,1008 1.293,1009 5.826,1010 3.861,1011 4.419,1012 4.963,1013 1.481,1014 6.693,1015 4.319,1016 6.127,1017 1.05,1018 7.422,1019 3.092,1020 4.111,1021 4.844,1023 7.7,1024 3.985,1025 7.454,1026 0.816,1027 9.119,1028 2.627,1029 6.066,1030 7.191,1031 1.37,1032 10.823,1033 5.877,1034 8.82,1035 0.759,1036 10.873,1037 2.112,1038 6.581,1039 7.922,1041 12.649,1042 6.349,1043 10.219,1044 0.721,1045 12.664,1046 1.989,1047 8.018,1048 9.724,1049 1.275,1050 15.285,1051 7.736,1052 11.642,1053 -0.054,1054 14.479,1055 1.742,1056 8.885,1057 10.828,1059 17.434,1060 8.549,1061 13.081,1062 -0.343,1063 16.31,1064 -0.139,1065 10.133,1066 12.415,1067 1.193,1068 19.909,1069 9.749,1070 3.236,1071 -0.811,1072 18.154,1073 -0.913,1074 11.156,1075 13.691,1077 22.194,1078 10.711,1079 3.027,1080 11.158,1081 20.008,1082 -2,1083 12.334,1084 15.189,1085 1.123,1086 24.612,1087 11.84,1088 2.736,1089 10.424,1090 21.869,1091 4.316,1092 13.426,1093 16.547,1095 26.956,1096 12.87,1097 2.403,1098 8.561,1099 23.736,1100 4.001,1101 14.581,1102 18.008,1103 1.062,1104 29.356,1105 13.972,1106 2.08,1107 7.575,1108 25.608,1109 3.651,1110 15.704,1111 19.407,1113 31.726,1114 15.034,1115 1.811,1116 6.482,1117 27.484,1118 3.118,1119 16.854,1120 20.854,1121 1.01,1122 34.121,1123 16.128,1124 1.561,1125 4.942,1126 29.364,1127 2.488,1128 17.992,1129 22.274,1131 36.504,1132 17.207,1133 6417,1134 10959,1135 18.611,1136 29.909,1137 43.744,1138 43.787,1139 44.553,1140 42.946,1141 42.989,1142 56.213,1143 3.68,1144 129.127,1145 40.758,1146 5.463,1147 5.514,1148 6.295,1149 5.338,1150 5.236,1151 7.316,1152 1.96,1153 18.399,1154 5.06,1155 12.889,1156 1.562,1157 1.564,1158 1.591,1159 1.534,1160 1.535,1161 2.008,1162 0.131,1163 4.612,1164 1.456,1165 4.08,1166 4.102,1167 4.301,1168 4.063,1169 7.437,1170 4.022,1171 3.906,1172 3.954,1173 3.87,1174 3.77,1175 5.071,1176 3.773,1177 3.709,1178 3.74,1179 3.76,1180 3.585,1181 4.916,1182 3.59,1183 3.435,1184 3.51,1185 3.35,1186 3.26,1187 4.809,1188 3.25,1189 3.301,1190 3.349,1191 3.228,1192 3.133,1193 4.431,1194 3.114,1195 3.292,1196 3.341,1197 3.201,1198 3.041,1199 4.281,1200 3.081,1201 2.874,1202 3.009,1203 2.781,1204 2.717,1205 4.14,1206 2.703,1207 2.842,1208 2.895,1209 2.583,1210 2.618,1211 3.612,1212 2.57,1213 0.164,1214 0.125,1215 0.242,1216 0.149,1217 0.116,1218 4.589,1219 0.154,1220 3.514,1221 0.035,1222 6.774,1223 0.399,1224 4.179,1225 0.109,1226 3.236,1227 4.316,1228 0.98,1229 11.158,1230 3.06,1231 1.915,1232 1.904,1233 1.982,1234 1.993,1235 1.167,1236 1.991,1237 1.726,1238 1.674,1239 1.93,1240 1.928,1241 1.139,1242 1.928,1243 1.639,1244 1.594,1245 1.837,1246 1.787,1247 1.089,1248 1.806,1249 1.421,1250 1.405,1251 1.479,1252 1.557,1253 0.698,1254 1.55,1255 1.272,1256 1.241,1257 1.417,1258 1.543,1259 0.525,1260 1.517,1261 1.126,1262 1.044,1263 1.398,1264 1.417,1265 0.469,1266 1.398,1267 0.98,1268 0.927,1269 1.302,1270 1.239,1271 0.198,1272 1.308,1273 0.934,1274 0.804,1275 1.172,1276 1.216,1277 0.162,1278 1.227,1279 4.043,1281 5.398,1282 3.045,1283 6.93,1284 5.416,1285 8.548,1286 7.535,1287 10.215,1289 4.177,1293 5.384,1295 1.373,1297 5.838,1299 0.244,1305 28.39,1306 73.212,1307 167.666,1308 199.82,1309 207.82,1310 209.82,1311 209.82,1312 36.679,1313 7.759,1314 83.03,1315 111.27,1316 23,1317 12.691,1318 4.17,1319 3.322,1320 35.832,1321 84,1322 80,1323 0.217,1324 176.74,1325 296.79,1326 423.007,1327 23925,1329 17.552,1330 0.702,1331 0.594,1332 17.905,1333 14.839,1334 12.042,1335 0.43,1336 0.32,1337 8.1,1338 11.13,1339 7.788,1340 6.447,1341 12.45,1342 8.956,1343 11.33,1344 0.276,1345 0.178,1346 11.946,1347 7.313,1348 9.597,1349 0.168,1350 0.095,1351 10.437,1352 5.438,1353 8.305,1354 0.106,1355 0.054,1356 9.315,1357 4.24,1358 6.539,1359 0.067,1360 0.031,1361 7.501,1362 3.002,1363 0.331,1364 79.553,1365 0.232,1366 23.755,1367 0.624,1368 138,1369 402.579,1370 176.707,1371 409.205,1372 568.43,1373 384,1374 167,1375 415.31,1376 205.919,1377 433.677,1378 642.07,1379 409,1380 6.81}
{0 CHEMBL2322765,1 1.672,2 9.962,3 3.737,4 13.961,5 104.407,6 8.011,7 0.552,8 3.943,9 4.056,10 3.622,11 3.53,12 5.051,13 3.49,14 4.479,15 4.642,16 4.033,17 3.949,18 5.568,19 3.883,20 4.709,21 4.884,22 4.134,23 4.099,24 5.74,25 4.011,26 4.817,27 5.031,28 4.186,29 4.141,30 5.813,31 4.022,32 4.689,33 4.877,34 3.931,35 4.04,36 5.739,37 3.917,38 4.608,39 4.827,40 3.78,41 3.895,42 5.543,43 3.766,44 4.535,45 4.742,46 3.785,47 3.791,48 5.602,49 3.686,50 4.492,51 4.728,52 3.452,53 3.654,54 5.486,55 3.536,56 0.058,57 0.706,58 9.207,59 4.354,60 8.848,61 5.277,62 0.237,63 1.144,64 18.79,65 7.735,66 29.489,67 9.435,68 0.246,69 1.386,70 26.136,71 9.859,72 31.179,73 12.079,74 0.356,75 1.548,76 34.168,77 11.365,78 38.324,79 13.655,80 0.399,81 1.366,82 29.754,83 10.366,84 40.973,85 12.287,86 0.218,87 1.239,88 23.5,89 8.66,90 23.892,91 11.157,92 0.369,93 1.169,94 27.34,95 8.217,96 33.21,97 9.906,98 0.271,99 1.028,100 21.702,101 7.467,102 33.565,103 9.896,104 22,105 42,106 0.286,107 0.662,108 0.811,109 0.841,110 0.848,111 0.848,112 3.305,113 0.975,114 -5.12,115 -5.02,116 -4.7,119 41.3,120 2,121 1,122 1,125 2,142 4,143 3,144 1,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 5,177 1,178 1,180 1,183 10,185 1,187 12,192 2,195 7,197 2,199 11,204 1,207 7,209 1,211 1,212 8,214 1,215 1,217 1,220 8,222 1,224 4,232 6,236 2,237 8,242 3,245 4,247 3,249 1,250 5,255 1,258 5,260 1,263 2,271 4,275 926,276 17.447,277 17.447,278 17.447,279 17.447,280 17.447,281 15.489,282 15.112,283 10.144,284 17.865,285 14.342,286 14.342,287 14.342,288 14.342,289 14.342,290 11.222,291 11.842,292 4.812,293 15.063,294 3.851,295 1.646,296 0.772,297 0.598,298 0.555,299 0.555,300 4,303 1,304 1,305 1,306 559,307 3.317,310 101.417,311 53.371,312 57.39,315 83.209,316 95.339,318 1.583,319 23.108,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 259,332 4.583,333 3.514,334 6.757,335 4.172,336 3.227,337 4.312,338 0.98,339 11.11,340 3.058,341 4.337,342 3.305,343 6.48,344 3.932,345 2.982,346 3.982,347 0.86,348 10.113,349 2.827,350 4.083,351 3.049,352 5.99,353 3.706,354 2.719,355 3.635,357 8.508,358 2.67,359 3.733,360 2.722,361 5.686,362 3.356,363 2.384,364 3.111,366 7.475,367 2.31,368 3.285,369 2.237,370 5.19,371 3.132,372 2.15,373 2.449,375 6.154,376 2.109,377 3.049,378 2.176,379 4.724,380 2.74,381 1.817,382 2.152,384 4.944,385 1.659,386 3.02,387 1.878,388 4.52,389 2.7,390 1.76,391 2.129,393 4.637,394 1.637,395 2.795,396 1.822,397 3.92,398 2.302,399 1.294,400 1.829,402 3.104,403 1.29,404 2.51,405 1.217,406 3.817,407 2.054,408 1.131,409 1.513,411 2.818,412 1.041,413 2.46,414 1.178,415 3.746,416 2.007,417 1.049,418 1.425,420 2.534,421 0.996,422 2.232,423 1.007,424 3.413,425 1.705,426 0.815,427 1.1,428 2.111,429 0.706,430 2.126,431 0.77,432 3.383,433 1.66,434 0.746,435 1.044,436 1.98,437 0.675,438 1.189,439 0.181,440 2.76,441 0.887,442 -0.049,443 -0.057,445 -0.125,446 -0.045,447 0.968,448 0.159,449 2.594,450 0.651,451 -0.301,452 -0.344,454 -0.779,455 -0.283,456 0.874,457 -0.137,458 2.468,459 0.6,460 -0.343,461 -0.424,463 -0.914,464 -0.319,465 12.6,466 0.485,467 0.733,468 0.028,469 32.75,470 1.26,471 16,472 0.615,473 16.75,474 0.644,475 23.78,476 0.915,477 27.6,478 0.6,479 22.534,480 0.867,481 6.006,482 0.231,483 6.518,484 0.251,485 0.138,487 0.389,493 0.758,494 1.104,495 0.73,496 0.921,497 0.711,498 0.886,499 0.842,500 0.879,501 0.756,502 0.802,503 0.495,504 0.791,505 1.068,506 1.111,507 0.948,508 1.045,509 0.851,510 0.978,511 1.017,512 0.982,513 1.108,514 1.03,515 0.842,516 0.884,517 0.882,518 1.13,519 1.446,520 1.308,521 0.755,522 1.152,523 0.894,524 1.138,525 1.022,526 1.058,527 0.713,528 1.123,529 0.996,530 1.209,531 1.417,532 1.346,533 1.215,534 1.096,535 0.981,536 1.053,537 1,538 1.049,539 1.034,540 1.108,541 5.5,542 0.133,543 3.111,544 2.007,545 1.533,546 1.16,547 0.469,548 0.435,549 0.245,550 0.197,551 7504,552 20421,553 2.101,554 43.5,555 6,556 8,558 1,559 2,561 3,564 1.693,565 1.95,566 3.284,567 0.289,569 1,573 76.935,574 1.672,575 3.878,576 4.752,577 4.926,578 4.969,579 4.969,580 2.763,581 4.393,582 4.668,583 3.44,584 1117.96,585 8.103,586 13442.7,588 1,590 1,591 254.084,592 1.46,593 4.624,594 0.19,595 0.009,596 0.074,597 0.046,598 0.036,599 0.031,600 0.016,601 0.014,602 0.011,603 0.012,604 0.439,605 0.17,606 1,607 1.062,608 125.499,609 0.002,610 0.032,611 0.067,612 0.045,613 -0.073,614 0.04,615 0.076,616 0.188,617 0.162,618 0.192,619 0.171,620 0.162,621 -0.082,622 -0.098,623 0.048,624 -0.006,625 -0.031,626 -0.001,627 -0.076,628 0.06,629 0.094,630 0.094,631 -0.025,632 0.115,633 0.021,634 -0.073,635 -0.273,636 -0.172,637 0.013,638 -0.159,639 -0.109,640 -0.129,641 -0.091,642 -0.098,643 -0.077,644 -0.15,645 0.026,646 -0.135,647 -0.183,648 -0.225,649 -0.075,650 -0.123,651 -0.032,652 -0.107,653 -0.132,654 -0.157,655 -0.02,656 -0.141,657 2.116,658 4.455,659 0.731,660 22.757,661 1.005,662 1.123,663 3.894,664 15.161,665 0.688,666 3.401,667 3.761,668 4.06,669 4.382,670 4.605,671 4.836,672 5.004,673 5.147,674 5.328,675 5.398,676 5.887,677 0.65,678 368.5,679 3.401,680 4.963,681 5.832,682 6.735,683 7.627,684 8.536,685 9.438,686 10.35,687 11.258,688 12.172,689 8.7,696 1,697 1,699 2,704 5,705 2,708 1,709 7,710 1,711 16,717 1,729 1,731 46,733 17,734 1,735 29,737 49,738 19,739 12,740 3,741 3,742 1,746 4,747 7,752 2,755 1,758 1,761 13,762 6,763 1,766 1,771 1,775 1,778 1,781 20,782 5,783 2,784 7,785 1,790 4,794 0.5,795 2,811 2,812 1,813 1,816 1,817 1,840 2,842 1,844 2,848 26,849 1,854 3,856 1,858 1,865 1,867 1,870 4.3,873 1,875 1,877 13.333,878 8.933,879 5.583,880 2.839,881 3.2,882 1.408,883 1.002,884 4.635,885 11.048,886 3.664,887 4.29,888 4.909,889 5.54,890 5.993,891 6.461,892 6.924,893 7.303,894 7.727,895 8.063,896 0.857,897 44,898 9.602,900 4.124,901 7.712,902 18.475,904 15.489,905 2.212,906 57.5,909 1,910 211.88,911 129.234,912 68.122,914 36.145,916 31.278,917 97.956,918 248.025,919 68.122,920 17.65,921 42.13,922 37.905,923 77.397,924 36.195,925 2.717,926 231.386,928 211.88,929 166.078,930 36.145,931 31.278,933 176.567,934 71.458,937 72.503,938 60.127,939 33.449,940 31.278,941 211.88,942 104.267,943 129.234,946 211.88,947 65.06,948 65.951,950 102.491,951 211.88,952 104.267,953 129.234,955 0.589,956 0.338,957 0.189,958 0.104,959 22,960 10,961 0.082,962 4,963 2,964 1.211,965 3.699,966 231.103,967 0.211,968 19,969 120.211,970 1,974 17.379,975 6.935,976 3.347,978 102.491,979 9.187,980 8.838,983 1.685,984 6.539,985 1.962,986 32.897,987 445.381,988 38,993 11.455,997 -0.45,999 46.207,1000 51.654,1001 0.303,1002 0.702,1003 0.86,1004 0.892,1005 0.9,1006 0.9,1007 4.92,1008 1.294,1009 5.838,1010 4.637,1011 4.443,1012 4.977,1013 1.481,1014 6.688,1015 4.348,1016 6.142,1017 1.131,1018 7.42,1019 3.104,1020 4.111,1021 4.844,1023 7.656,1024 3.996,1025 7.463,1026 1.049,1027 9.102,1028 2.818,1029 6.071,1030 7.19,1031 1.37,1032 10.777,1033 5.89,1034 8.821,1035 0.815,1036 10.842,1037 2.534,1038 6.553,1039 7.907,1041 12.574,1042 6.334,1043 10.213,1044 0.746,1045 12.619,1046 2.111,1047 7.997,1048 9.712,1049 1.275,1050 15.207,1051 7.726,1052 11.628,1053 -0.049,1054 14.422,1055 1.98,1056 8.84,1057 10.808,1059 17.338,1060 8.516,1061 13.061,1062 -0.301,1063 16.244,1064 -0.125,1065 10.09,1066 12.396,1067 1.193,1068 19.807,1069 9.718,1070 3.227,1071 -0.343,1072 18.078,1073 -0.779,1074 11.097,1075 13.668,1077 22.08,1078 10.666,1079 2.982,1080 11.11,1081 19.924,1082 -0.914,1083 12.274,1084 15.165,1085 1.123,1086 24.492,1087 11.793,1088 2.719,1089 10.113,1090 21.777,1091 4.312,1092 13.355,1093 16.521,1095 26.827,1096 12.814,1097 2.384,1098 8.508,1099 23.637,1100 3.982,1101 14.507,1102 17.981,1103 1.062,1104 29.22,1105 13.915,1106 2.15,1107 7.475,1108 25.503,1109 3.635,1110 15.624,1111 19.378,1113 31.584,1114 14.971,1115 1.817,1116 6.154,1117 27.372,1118 3.111,1119 16.77,1120 20.825,1121 1.01,1122 33.973,1123 16.064,1124 1.76,1125 4.944,1126 29.246,1127 2.449,1128 17.904,1129 22.243,1131 36.351,1132 17.139,1133 7246,1134 12113,1135 19.304,1136 31.671,1137 44.981,1138 45.117,1139 45.737,1140 44.088,1141 44.147,1142 57.36,1143 3.68,1144 130.977,1145 41.959,1146 5.457,1147 5.514,1148 6.278,1149 5.331,1150 5.227,1151 7.312,1152 1.96,1153 18.341,1154 5.058,1155 13.416,1156 1.551,1157 1.556,1158 1.577,1159 1.52,1160 1.522,1161 1.978,1162 0.127,1163 4.516,1164 1.447,1165 4.079,1166 4.101,1167 4.3,1168 4.062,1169 7.437,1170 4.022,1171 3.905,1172 3.953,1173 3.867,1174 3.77,1175 5.069,1176 3.772,1177 3.72,1178 3.752,1179 3.759,1180 3.614,1181 4.916,1182 3.608,1183 3.557,1184 3.629,1185 3.409,1186 3.369,1187 4.809,1188 3.379,1189 3.319,1190 3.354,1191 3.333,1192 3.163,1193 4.431,1194 3.134,1195 3.292,1196 3.347,1197 3.201,1198 3.046,1199 4.281,1200 3.085,1201 2.874,1202 3.009,1203 2.782,1204 2.717,1205 4.207,1206 2.703,1207 2.842,1208 2.936,1209 2.589,1210 2.618,1211 3.65,1212 2.57,1213 0.158,1214 0.121,1215 0.233,1216 0.144,1217 0.111,1218 4.583,1219 0.149,1220 3.514,1221 0.034,1222 6.757,1223 0.383,1224 4.172,1225 0.105,1226 3.227,1227 4.312,1228 0.98,1229 11.11,1230 3.058,1231 1.915,1232 1.904,1233 1.984,1234 1.993,1235 1.25,1236 1.991,1237 1.755,1238 1.697,1239 1.981,1240 1.947,1241 1.166,1242 1.958,1243 1.655,1244 1.616,1245 1.84,1246 1.793,1247 1.093,1248 1.811,1249 1.468,1250 1.453,1251 1.537,1252 1.611,1253 0.758,1254 1.617,1255 1.275,1256 1.245,1257 1.417,1258 1.556,1259 0.53,1260 1.518,1261 1.204,1262 1.112,1263 1.417,1264 1.51,1265 0.505,1266 1.482,1267 1.005,1268 0.942,1269 1.384,1270 1.247,1271 0.469,1272 1.308,1273 0.934,1274 0.878,1275 1.258,1276 1.239,1277 0.196,1278 1.258,1279 4.078,1281 5.425,1282 3.045,1283 6.944,1284 5.416,1285 8.549,1286 7.526,1287 10.206,1289 4.331,1293 5.395,1295 2.21,1297 5.853,1299 0.495,1305 29.917,1306 76.935,1307 178.368,1308 218.574,1309 226.574,1310 228.574,1311 228.574,1312 39.493,1313 7.848,1314 83.03,1315 111.27,1316 23,1317 12.686,1318 4.17,1319 3.322,1320 37.963,1321 92,1322 87,1323 0.209,1324 186.333,1325 314.09,1326 446.412,1327 27141,1329 18.259,1330 0.702,1331 0.598,1332 18.612,1333 15.546,1334 12.525,1335 0.432,1336 0.325,1337 8.564,1338 11.619,1339 8.23,1340 6.847,1341 12.933,1342 9.422,1343 11.812,1344 0.281,1345 0.187,1346 12.428,1347 7.85,1348 9.608,1349 0.169,1350 0.097,1351 10.448,1352 5.529,1353 8.459,1354 0.107,1355 0.055,1356 9.477,1357 4.382,1358 6.695,1359 0.068,1360 0.031,1361 7.611,1362 3.057,1363 0.322,1364 82.489,1365 0.228,1366 24.692,1367 0.595,1368 142,1369 406.579,1370 180.374,1371 413.607,1372 572.91,1373 388,1374 170,1375 415.958,1376 208.919,1377 435.57,1378 643.83,1379 410,1380 6.554}
{0 CHEMBL2322766,1 1.692,2 9.923,3 3.491,4 12.184,5 102.474,6 8.329,7 0.533,8 3.926,9 4.031,10 3.644,11 3.537,12 5.017,13 3.504,14 4.46,15 4.608,16 4.038,17 3.948,18 5.548,19 3.885,20 4.684,21 4.868,22 4.14,23 4.07,24 5.701,25 3.994,26 4.7,27 4.87,28 4.198,29 4.12,30 5.761,31 4.019,32 4.668,33 4.853,34 3.938,35 4.036,36 5.697,37 3.905,38 4.544,39 4.757,40 3.734,41 3.852,42 5.454,43 3.724,44 4.47,45 4.677,46 3.762,47 3.72,48 5.54,49 3.645,50 4.408,51 4.622,52 3.475,53 3.627,54 5.432,55 3.53,56 0.067,57 0.686,58 8.148,59 4.103,60 8.215,61 4.786,62 0.229,63 1.127,64 16.751,65 7.399,66 27.582,67 8.706,68 0.306,69 1.351,70 25.499,71 9.434,72 31.515,73 11.199,74 0.302,75 1.435,76 27.741,77 10.065,78 31.999,79 11.132,80 0.4,81 1.339,82 28.125,83 10.34,84 39.683,85 11.862,86 0.222,87 1.171,88 24.279,89 8.868,90 21.254,91 10.732,92 0.362,93 1.094,94 21.664,95 6.969,96 31.803,97 8.581,98 0.266,99 0.98,100 18.836,101 6.79,102 31.77,103 8.535,104 6,105 44,106 0.29,107 0.669,108 0.805,109 0.858,110 0.866,111 0.866,112 3.305,113 0.962,114 -5.12,115 -5.02,116 -4.7,119 43.2,121 4,125 1,127 1,142 4,143 3,144 1,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 6,177 1,178 1,180 1,183 10,185 1,187 12,192 2,195 7,197 2,199 11,204 1,207 7,209 1,211 1,212 7,214 1,215 1,217 1,220 10,222 1,224 4,232 5,236 2,237 8,242 3,245 5,247 3,249 1,250 5,255 1,258 4,260 1,263 3,271 5,275 906,276 17.947,277 17.947,278 17.947,279 17.947,280 17.947,281 16.013,282 16.693,283 10.366,284 18.371,285 14.836,286 14.836,287 14.836,288 14.836,289 14.836,290 11.733,291 14.342,292 4.895,293 15.568,294 3.767,295 1.555,296 0.762,297 0.455,298 0.409,299 0.409,300 4.014,303 1,304 1,305 1,306 582,307 2.739,309 47.628,310 98.134,311 52.622,312 56.602,315 81.951,316 94.044,318 1.55,319 22.963,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 258,332 4.592,333 3.514,334 6.787,335 4.186,336 3.244,337 4.317,338 0.98,339 11.21,340 3.064,341 4.379,342 3.32,343 6.631,344 4.017,345 3.062,346 4.006,347 0.86,348 10.62,349 2.916,350 4.109,351 3.16,352 6.019,353 3.743,354 2.757,355 3.657,357 8.638,358 2.714,359 3.764,360 2.78,361 5.798,362 3.451,363 2.478,364 3.122,366 7.826,367 2.398,368 3.46,369 2.396,370 5.561,371 3.215,372 2.242,373 2.596,375 7.044,376 2.177,377 3.069,378 2.181,379 4.743,380 2.734,381 1.814,382 2.237,384 4.956,385 1.649,386 3.02,387 1.878,388 4.666,389 2.661,390 1.721,391 2.146,393 4.781,394 1.604,395 2.795,396 1.773,397 3.921,398 2.302,399 1.294,400 1.829,402 3.101,403 1.29,404 2.462,405 1.205,406 3.825,407 2.046,408 1.108,409 1.432,411 2.768,412 1.035,413 2.44,414 1.152,415 3.752,416 2.007,417 1.049,418 1.417,420 2.518,421 0.996,422 2.232,423 1.007,424 3.422,425 1.705,426 0.815,427 1.1,428 2.111,429 0.706,430 2.126,431 0.77,432 3.384,433 1.66,434 0.746,435 1.044,436 1.98,437 0.676,438 1.399,439 0.285,440 2.844,441 1.239,442 0.264,443 0.296,445 0.64,446 0.257,447 1.183,448 0.173,449 2.759,450 1,456 1,457 0.158,458 2.618,459 0.88,460 -0.055,461 -0.065,463 -0.143,464 -0.051,465 12.6,466 0.485,467 0.64,468 0.025,469 33.25,470 1.279,471 16,472 0.615,473 17.25,474 0.663,475 22.7,476 0.873,477 27,478 0.614,479 22.067,480 0.849,481 5.993,482 0.23,483 6.711,484 0.258,485 0.058,487 0.389,493 0.748,494 1.039,495 0.694,496 0.863,497 0.658,498 0.824,499 0.834,500 0.974,501 0.803,502 0.888,503 0.49,504 0.889,505 1.105,506 0.974,507 0.891,508 0.906,509 0.819,510 0.829,511 1.084,512 1.109,513 1.248,514 1.183,515 0.962,516 1.023,517 0.835,518 1.1,519 1.429,520 1.301,521 0.742,522 1.186,523 0.829,524 1.153,525 1.203,526 1.196,527 0.654,528 1.112,529 0.991,530 1.106,531 1.022,532 1.057,533 1.235,534 0.998,535 1.046,536 1.076,537 1.056,538 1.083,539 1.097,540 1.151,541 4.5,542 0.095,543 3.222,544 1.813,545 1.611,546 0.83,547 0.522,548 0.339,549 0.204,550 0.109,551 8145,552 21536,553 2.216,554 40.9,555 2,556 7,558 1,559 2,561 6,564 1.693,565 2.108,566 3.279,567 0.289,569 1,573 74.446,574 1.692,575 3.904,576 4.698,577 5.005,578 5.05,579 5.05,580 2.782,581 4.393,582 4.67,583 3.419,584 1111.14,585 8.104,586 13258.2,588 1,590 1,591 240.215,592 1.296,593 4.648,594 0.15,595 0.008,596 0.077,597 0.04,598 0.037,599 0.023,600 0.017,601 0.011,602 0.009,603 0.007,604 0.379,605 0.33,606 0.88,607 0.646,608 125.166,609 -0.007,610 0.061,611 0.066,612 0.064,613 -0.035,614 0.059,615 0.062,616 0.074,617 0.085,618 0.08,619 0.158,620 0.035,621 -0.093,622 0.021,623 0.124,624 0.118,625 0.003,626 0.143,627 -0.133,628 -0.036,629 -0.047,630 -0.042,631 -0.102,632 -0.056,633 0.033,634 -0.077,635 -0.258,636 -0.168,637 0.003,638 -0.188,639 -0.07,640 -0.163,641 -0.128,642 -0.141,643 -0.035,644 -0.1,645 0.042,646 -0.074,647 -0.035,648 -0.107,649 -0.063,650 -0.057,651 -0.07,652 -0.111,653 -0.197,654 -0.193,655 -0.047,656 -0.196,657 2.11,658 4.464,659 0.885,660 21.811,661 1.007,662 1.119,663 3.894,664 15.161,665 0.702,666 3.434,667 3.807,668 4.159,669 4.443,670 4.682,671 4.913,672 5.088,673 5.242,674 5.416,675 5.525,676 5.801,677 0.668,678 366.48,679 3.434,680 5.004,681 5.894,682 6.804,683 7.71,684 8.624,685 9.537,686 10.453,687 11.369,688 12.287,689 9.1,696 1,697 1,699 2,704 5,705 2,708 1,709 7,710 1,711 16,717 1,729 1,731 44,733 17,734 1,735 30,737 48,738 19,739 12,740 3,741 3,742 1,746 5,747 8,755 5,758 5,761 13,762 6,766 1,771 1,775 1,777 1,778 1,781 18,782 5,783 2,784 7,785 1,790 4,794 0.6,795 2,810 1,811 2,812 1,813 1,816 1,817 1,840 3,842 1,848 26,849 1,854 5,856 1,858 1,865 1,867 1,870 4.5,873 1,875 1,877 12.333,878 7.933,879 5.528,880 2.805,881 3.264,882 1.404,883 1.046,884 3.909,885 11.339,886 3.689,887 4.317,888 4.959,889 5.571,890 6.035,891 6.505,892 6.966,893 7.361,894 7.774,895 8.133,896 0.857,897 45,898 9.628,900 4.272,901 7.673,902 18.694,904 16.34,905 2.173,906 56.5,909 1,910 188.338,911 117.081,912 68.122,914 36.145,916 31.278,917 85.804,918 224.482,919 68.122,921 47.628,922 37.905,923 77.397,924 36.195,925 2.717,926 207.844,928 188.338,929 153.926,930 36.145,931 31.278,933 117.711,934 106.771,937 60.351,938 60.127,939 33.449,940 31.278,941 188.338,942 104.267,943 117.081,946 188.338,947 70.558,948 48.3,950 102.491,951 188.338,952 104.267,953 117.081,955 0.592,956 0.359,957 0.19,958 0.102,959 25,960 10,961 0.063,962 3,963 2,964 1.174,965 3.819,966 239.538,967 0.174,968 23,969 120.211,970 1,974 16.158,975 6.289,976 2.72,978 102.491,979 9.282,980 8.97,983 1.71,984 6.691,985 2.072,986 32.897,987 409.686,988 39,993 11.464,997 -0.443,999 44.323,1000 49.238,1001 0.31,1002 0.715,1003 0.861,1004 0.917,1005 0.925,1006 0.925,1007 4.956,1008 1.294,1009 5.894,1010 4.781,1011 4.489,1012 5.004,1013 1.481,1014 6.763,1015 4.396,1016 6.17,1017 1.108,1018 7.485,1019 3.101,1020 4.111,1021 4.844,1023 7.753,1024 3.985,1025 7.497,1026 1.049,1027 9.177,1028 2.768,1029 6.151,1030 7.22,1031 1.37,1032 10.899,1033 5.976,1034 8.861,1035 0.815,1036 10.93,1037 2.518,1038 6.621,1039 7.933,1041 12.723,1042 6.396,1043 10.259,1044 0.746,1045 12.72,1046 2.111,1047 8.1,1048 9.74,1049 1.275,1050 15.366,1051 7.835,1052 11.679,1053 0.264,1054 14.535,1055 1.98,1056 8.944,1057 10.838,1059 17.519,1060 8.617,1061 13.117,1063 16.367,1064 0.64,1065 10.211,1066 12.425,1067 1.193,1068 19.999,1069 9.845,1070 3.244,1071 -0.055,1072 18.212,1074 11.223,1075 13.7,1077 22.29,1078 10.792,1079 3.062,1080 11.21,1081 20.067,1082 -0.143,1083 12.411,1084 15.197,1085 1.123,1086 24.714,1087 11.934,1088 2.757,1089 10.62,1090 21.929,1091 4.317,1092 13.499,1093 16.555,1095 27.064,1096 12.958,1097 2.478,1098 8.638,1099 23.797,1100 4.006,1101 14.659,1102 18.016,1103 1.062,1104 29.469,1105 14.067,1106 2.242,1107 7.826,1108 25.671,1109 3.657,1110 15.782,1111 19.415,1113 31.846,1114 15.127,1115 1.814,1116 7.044,1117 27.548,1118 3.122,1119 16.935,1120 20.862,1121 1.01,1122 34.246,1123 16.226,1124 1.721,1125 4.956,1126 29.43,1127 2.596,1128 18.074,1129 22.282,1131 36.635,1132 17.304,1133 7495,1134 12328,1135 20.69,1136 30.909,1137 45.895,1138 45.987,1139 46.617,1140 45.237,1141 45.189,1142 58.394,1143 3.68,1144 136.388,1145 42.965,1146 5.592,1147 5.514,1148 6.405,1149 5.345,1150 5.244,1151 7.317,1152 1.96,1153 18.485,1154 5.064,1155 9.454,1156 1.53,1157 1.533,1158 1.554,1159 1.508,1160 1.506,1161 1.946,1162 0.123,1163 4.546,1164 1.432,1165 4.092,1166 4.123,1167 4.302,1168 4.066,1169 7.437,1170 4.027,1171 3.951,1172 3.99,1173 3.898,1174 3.812,1175 5.07,1176 3.821,1177 3.763,1178 3.792,1179 3.803,1180 3.717,1181 4.916,1182 3.69,1183 3.589,1184 3.652,1185 3.501,1186 3.381,1187 4.809,1188 3.408,1189 3.315,1190 3.352,1191 3.336,1192 3.159,1193 4.431,1194 3.132,1195 3.292,1196 3.346,1197 3.201,1198 3.044,1199 4.281,1200 3.084,1201 2.842,1202 2.895,1203 2.781,1204 2.717,1205 4.208,1206 2.703,1207 2.675,1208 2.749,1209 2.583,1210 2.495,1211 3.617,1212 2.502,1213 0.153,1214 0.117,1215 0.226,1216 0.14,1217 0.108,1218 4.592,1219 0.144,1220 3.514,1221 0.033,1222 6.787,1223 0.374,1224 4.186,1225 0.102,1226 3.244,1227 4.317,1228 0.98,1229 11.21,1230 3.064,1231 1.916,1232 1.905,1233 2.092,1234 2.059,1235 1.49,1236 2.071,1237 1.894,1238 1.839,1239 1.982,1240 1.993,1241 1.166,1242 1.991,1243 1.662,1244 1.627,1245 1.84,1246 1.794,1247 1.093,1248 1.811,1249 1.461,1250 1.455,1251 1.492,1252 1.575,1253 0.735,1254 1.579,1255 1.273,1256 1.244,1257 1.4,1258 1.556,1259 0.526,1260 1.518,1261 1.162,1262 1.075,1263 1.32,1264 1.483,1265 0.336,1266 1.441,1267 0.986,1268 0.931,1269 1.202,1270 1.228,1271 0.325,1272 1.236,1273 0.839,1274 0.787,1275 1.094,1276 1.006,1277 0.195,1278 1.048,1279 4.111,1281 5.501,1282 3.045,1283 7.055,1284 5.416,1285 8.687,1286 7.535,1287 10.364,1293 5.403,1295 5.011,1297 5.865,1299 0.475,1305 29.39,1306 74.446,1307 171.797,1308 206.705,1309 220.215,1310 222.215,1311 222.215,1312 35.693,1313 8.075,1314 83.03,1315 111.27,1316 27,1317 12.797,1318 4.17,1319 3.322,1320 33.847,1321 91,1322 87,1323 0.187,1324 178.939,1325 301.73,1326 428.372,1327 36359,1329 17.673,1330 0.68,1331 0.575,1332 18.027,1333 14.96,1334 12.704,1335 0.423,1336 0.321,1337 8.762,1338 11.801,1339 8.553,1340 6.987,1341 13.112,1342 9.618,1343 11.777,1344 0.268,1345 0.177,1346 12.393,1347 7.804,1348 10.496,1349 0.167,1350 0.101,1351 11.336,1352 6.369,1353 8.727,1354 0.104,1355 0.054,1356 9.736,1357 4.556,1358 7.038,1359 0.066,1360 0.03,1361 7.977,1362 3.259,1363 0.287,1364 83.524,1365 0.22,1366 24.692,1367 0.533,1368 148,1369 412.579,1370 186.707,1371 418.564,1372 584.83,1373 394,1374 181,1375 429.31,1376 220.252,1377 446.788,1378 665.19,1379 423,1380 6.249}
{0 CHEMBL2322767,1 1.791,2 9.84,3 2.005,4 4.021,5 96.955,6 8.694,7 0.571,8 3.86,9 3.958,10 3.595,11 3.429,12 5.048,13 3.413,14 4.368,15 4.504,16 3.997,17 3.843,18 5.559,19 3.801,20 4.583,21 4.741,22 4.106,23 3.987,24 5.705,25 3.927,26 4.623,27 4.775,28 4.157,29 4.043,30 5.77,31 3.946,32 4.599,33 4.777,34 3.876,35 3.925,36 5.731,37 3.81,38 4.457,39 4.666,40 3.696,41 3.705,42 5.47,43 3.613,44 4.379,45 4.575,46 3.719,47 3.577,48 5.562,49 3.536,50 4.33,51 4.55,52 3.386,53 3.458,54 5.439,55 3.378,56 0.131,57 0.641,58 7.072,59 3.746,60 15.233,61 4.003,62 0.341,63 1.026,64 14.554,65 6.534,66 38.182,67 7.067,68 0.452,69 1.217,70 21.779,71 8.359,72 40.564,73 9.279,74 0.401,75 1.319,76 24.295,77 9.402,78 38.802,79 9.912,80 0.506,81 1.212,82 27.046,83 9.771,84 48.37,85 10.891,86 0.336,87 1.034,88 20.988,89 7.55,90 31.476,91 9.09,92 0.436,93 0.971,94 18.363,95 5.799,96 41.517,97 6.893,98 0.356,99 0.871,100 17.887,101 6.073,102 39.552,103 7.475,104 15,105 40,106 0.313,107 0.716,108 0.833,109 0.884,110 0.893,111 0.893,112 3.268,113 0.93,114 -3.89,115 -3.85,116 -3.65,119 41.5,121 1,125 3,142 4,143 3,144 1,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 4,177 1,178 1,180 1,183 9,185 1,187 9,190 1,192 2,195 7,197 2,199 8,202 1,204 1,207 7,209 1,211 1,212 6,214 1,215 2,217 1,220 6,222 1,224 4,229 2,232 1,236 2,237 8,242 4,247 3,249 1,250 5,255 3,260 1,263 1,268 1,275 835,276 17.162,277 17.162,278 17.162,279 17.162,280 17.162,281 15.204,282 14.422,283 10.095,284 17.631,285 13.807,286 13.807,287 13.807,288 13.807,289 13.807,290 10.677,291 11.842,292 4.685,293 14.606,294 3.567,295 1.259,296 0.585,297 0.293,298 0.244,299 0.244,300 3.966,303 1,304 1,305 1,306 534,307 3,310 95.711,311 50.333,312 54.332,315 78.954,316 90.172,318 1.539,319 27.651,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55,331 246,332 4.583,333 3.514,334 6.757,335 4.171,336 3.226,337 4.312,338 0.98,339 11.108,340 3.057,341 4.333,342 3.305,343 6.473,344 3.923,345 2.973,346 3.981,347 0.86,348 10.083,349 2.818,350 4.08,351 3.039,352 5.989,353 3.699,354 2.712,355 3.633,357 8.499,358 2.659,359 3.729,360 2.711,361 5.683,362 3.331,363 2.362,364 3.109,366 7.454,367 2.284,368 3.209,369 2.187,370 5.116,371 2.851,372 1.909,373 2.419,375 5.848,376 1.779,377 3.021,378 2.06,379 4.721,380 2.727,381 1.808,382 2.147,384 4.939,385 1.645,386 2.795,387 1.878,388 3.994,389 2.311,390 1.399,391 1.829,393 3.219,394 1.291,395 2.707,396 1.61,397 3.88,398 2.302,399 1.293,400 1.769,402 3.067,403 1.269,404 2.461,405 1.203,406 3.765,407 2.016,408 1.05,409 1.425,411 2.598,412 1.005,413 2.234,414 1.137,415 3.434,416 1.754,417 0.85,418 1.103,420 2.111,421 0.763,422 2.126,423 1.007,424 3.386,425 1.704,426 0.814,427 1.044,428 1.982,429 0.706,430 2.038,431 0.77,432 3,433 1.66,434 0.745,435 0.98,436 1.471,437 0.675,438 1.187,439 0.182,440 2.76,441 0.884,442 -0.051,443 -0.06,445 -0.131,446 -0.047,447 0.968,448 0.159,449 2.593,450 0.603,451 -0.343,452 -0.424,454 -0.701,455 -0.317,456 0.737,457 -0.086,458 2.393,459 0.463,460 -0.418,461 -0.467,463 -0.914,464 -0.368,465 11.933,466 0.477,467 0.589,468 0.024,469 32.5,470 1.3,471 16,472 0.64,473 16.5,474 0.66,475 20.34,476 0.814,477 26.467,478 0.646,479 22.946,480 0.918,481 6.349,482 0.254,483 5.82,484 0.233,485 0.089,487 0.369,493 0.854,494 1.053,495 0.705,496 0.851,497 0.806,498 0.804,499 0.934,500 0.876,501 0.808,502 0.792,503 0.664,504 0.796,505 1.038,506 0.939,507 0.939,508 0.911,509 0.854,510 0.85,511 0.89,512 1.152,513 1.286,514 1.291,515 0.792,516 1.136,517 0.714,518 1.125,519 1.445,520 1.39,521 0.646,522 1.222,523 0.802,524 1.169,525 0.987,526 1.13,527 0.683,528 1.095,529 1.026,530 1.147,531 0.946,532 1.026,533 1.206,534 1.011,535 0.981,536 1.106,537 1.041,538 1.103,539 0.993,540 1.161,541 4.5,542 0.112,543 3.111,544 1.882,545 1.463,546 0.969,547 0.469,548 0.363,549 0.196,550 0.138,551 6767,552 21878,553 2.13,554 39,556 10,558 1,559 3,561 2,564 1.682,565 2,566 3.254,567 1.045,568 1,569 1,571 1,573 73.418,574 1.791,575 4.099,576 4.772,577 5.065,578 5.114,579 5.114,580 2.759,581 4.404,582 4.611,583 3.389,584 1016.84,585 7.99,586 11824.7,587 1,588 1,590 1,591 219.66,592 1.388,593 4.579,594 0.161,595 0.01,596 0.078,597 0.044,598 0.036,599 0.029,600 0.017,601 0.013,602 0.009,603 0.011,604 0.406,605 0.33,606 1,607 1.03,608 118.792,609 -0.085,610 0.065,611 0.039,612 0.088,613 -0.12,614 0.067,615 -0.047,616 0.195,617 0.072,618 0.191,619 0.033,620 0.118,621 -0.104,622 0.071,623 0.059,624 0.135,625 -0.064,626 0.119,627 -0.077,628 -0.074,629 -0.104,630 -0.113,631 -0.06,632 -0.152,633 0.096,634 -0.119,635 -0.261,636 -0.224,637 0.071,638 -0.192,639 -0.036,640 -0.209,641 -0.017,642 -0.146,643 -0.012,644 -0.079,645 -0.031,646 -0.122,647 -0.024,648 -0.127,649 -0.115,650 -0.087,651 -0.063,652 -0.16,653 -0.151,654 -0.217,655 -0.05,656 -0.183,657 2.139,658 4.408,659 0.76,660 21.28,661 1.019,662 1.123,663 2.665,664 7.1,665 0.698,666 3.367,667 3.714,668 4.043,669 4.357,670 4.575,671 4.804,672 4.977,673 5.118,674 5.283,675 5.357,676 5.685,677 0.673,678 356.44,679 3.367,680 4.92,681 5.796,682 6.696,683 7.593,684 8.501,685 9.406,686 10.318,687 11.227,688 12.14,689 9.8,696 1,697 1,699 2,704 5,705 2,708 1,709 7,710 1,711 16,717 1,729 1,731 41,733 17,734 1,735 28,737 44,738 17,739 12,740 3,741 3,742 1,746 4,747 7,752 1,755 1,758 1,761 13,762 4,766 1,771 1,775 1,777 1,778 1,781 16,782 6,783 3,784 8,785 1,790 4,794 0.5,795 3,796 1,811 2,812 1,813 1,816 1,817 1,838 1,840 2,842 1,848 25,849 1,853 1,854 4,856 1,865 1,867 1,870 7.3,871 1,873 1,875 1,877 12.5,878 7.3,879 5.5,880 2.355,881 3.171,882 1.409,883 0.995,884 4.376,885 10.929,886 3.638,887 4.263,888 4.902,889 5.528,890 5.978,891 6.443,892 6.907,893 7.288,894 7.703,895 8.041,896 0.857,897 43,898 9.215,900 3.999,901 7.887,902 17.419,904 14.557,905 2.387,906 59.667,910 153.024,911 111.583,912 68.122,914 78.828,916 31.278,917 80.306,918 231.852,919 68.122,921 42.13,922 80.588,923 77.397,924 36.195,925 2.717,926 172.531,928 153.024,929 148.428,930 78.828,931 31.278,933 129.482,934 59.687,935 42.683,937 54.853,938 60.127,939 33.449,940 31.278,941 153.024,942 146.95,943 111.583,946 153.024,947 65.06,948 48.3,950 145.174,951 153.024,952 146.95,953 111.583,955 0.58,956 0.349,957 0.198,958 0.106,959 21,960 9,961 0.091,962 4,963 2,964 1.211,965 3.639,966 219.363,967 0.211,968 19,969 116.096,970 1,974 16.394,975 6.673,976 2.992,978 145.174,979 8.872,980 8.482,983 1.602,984 6.038,985 1.693,986 75.581,987 411.558,988 37,993 11.408,997 -0.472,999 41.767,1000 46.033,1001 0.334,1002 0.765,1003 0.891,1004 0.945,1005 0.954,1006 0.954,1007 4.883,1008 1.293,1009 5.79,1010 3.219,1011 4.394,1012 4.949,1013 1.481,1014 6.645,1015 4.289,1016 6.1,1017 1.05,1018 7.373,1019 3.067,1020 4.007,1021 4.796,1023 7.621,1024 3.879,1025 7.422,1026 0.85,1027 9.059,1028 2.598,1029 6.023,1030 7.175,1031 1.37,1032 10.751,1033 5.83,1034 8.785,1035 0.814,1036 10.804,1037 2.111,1038 6.494,1039 7.892,1041 12.56,1042 6.262,1043 10.182,1044 0.745,1045 12.588,1046 1.982,1047 7.958,1048 9.704,1049 1.275,1050 15.191,1051 7.676,1052 11.602,1053 -0.051,1054 14.396,1055 1.471,1056 8.803,1057 10.802,1059 17.328,1060 8.468,1061 13.04,1062 -0.343,1063 16.222,1064 -0.131,1065 10.06,1066 12.392,1067 1.193,1068 19.795,1069 9.679,1070 3.226,1071 -0.418,1072 18.06,1073 -0.701,1074 11.07,1075 13.665,1077 22.07,1078 10.63,1079 2.973,1080 11.108,1081 19.908,1082 -0.914,1083 12.25,1084 15.163,1085 1.123,1086 24.48,1087 11.762,1088 2.712,1089 10.083,1090 21.764,1091 4.312,1092 13.334,1093 16.518,1095 26.816,1096 12.786,1097 2.362,1098 8.499,1099 23.626,1100 3.981,1101 14.487,1102 17.979,1103 1.062,1104 29.209,1105 13.889,1106 1.909,1107 7.454,1108 25.492,1109 3.633,1110 15.605,1111 19.376,1113 31.573,1114 14.948,1115 1.808,1116 5.848,1117 27.363,1118 3.109,1119 16.752,1120 20.823,1121 1.01,1122 33.962,1123 16.041,1124 1.399,1125 4.939,1126 29.237,1127 2.419,1128 17.886,1129 22.241,1131 36.34,1132 17.118,1133 6510,1134 11802,1135 18.898,1136 28.602,1137 42.916,1138 43.306,1139 43.821,1140 42.267,1141 42.283,1142 55.504,1143 3.68,1144 124.759,1145 39.901,1146 5.456,1147 5.514,1148 6.528,1149 5.33,1150 5.226,1151 7.312,1152 1.96,1153 18.337,1154 5.057,1155 11.355,1156 1.533,1157 1.547,1158 1.565,1159 1.51,1160 1.51,1161 1.982,1162 0.131,1163 4.456,1164 1.425,1165 4.077,1166 4.096,1167 4.3,1168 4.061,1169 7.437,1170 4.021,1171 3.895,1172 3.944,1173 3.865,1174 3.766,1175 6.456,1176 3.765,1177 3.698,1178 3.73,1179 3.746,1180 3.536,1181 5.065,1182 3.558,1183 3.388,1184 3.441,1185 3.346,1186 3.206,1187 4.916,1188 3.185,1189 3.292,1190 3.348,1191 3.202,1192 3.089,1193 4.809,1194 3.096,1195 3.291,1196 3.334,1197 3.189,1198 3.035,1199 4.43,1200 3.068,1201 2.842,1202 2.895,1203 2.781,1204 2.717,1205 4.281,1206 2.703,1207 2.675,1208 2.749,1209 2.583,1210 2.495,1211 3.761,1212 2.501,1213 0.164,1214 0.125,1215 0.241,1216 0.149,1217 0.115,1218 4.583,1219 0.154,1220 3.514,1221 0.035,1222 6.757,1223 0.397,1224 4.171,1225 0.109,1226 3.226,1227 4.312,1228 0.98,1229 11.108,1230 3.057,1231 1.915,1232 1.904,1233 1.982,1234 1.993,1235 1.167,1236 1.991,1237 1.688,1238 1.651,1239 1.85,1240 1.887,1241 1.098,1242 1.869,1243 1.596,1244 1.553,1245 1.794,1246 1.782,1247 1.048,1248 1.797,1249 1.384,1250 1.358,1251 1.471,1252 1.557,1253 0.685,1254 1.539,1255 1.271,1256 1.239,1257 1.397,1258 1.539,1259 0.525,1260 1.517,1261 1.112,1262 1.036,1263 1.298,1264 1.416,1265 0.203,1266 1.388,1267 0.979,1268 0.927,1269 1.18,1270 1.225,1271 0.183,1272 1.23,1273 0.814,1274 0.756,1275 1.093,1276 1.014,1277 0.124,1278 1.051,1279 4.043,1281 5.38,1282 3.045,1283 6.901,1284 5.416,1285 8.511,1286 7.526,1287 10.173,1293 5.364,1294 9.17,1295 1.704,1297 5.806,1305 27.578,1306 73.418,1307 168.05,1308 195.66,1309 207.66,1310 209.66,1311 209.66,1312 38.703,1313 7.759,1314 103.26,1315 131.5,1316 23,1317 12.654,1318 4.17,1319 3.322,1320 35.843,1321 85,1322 92,1323 0.214,1324 171.144,1325 288.28,1326 409.352,1327 24140,1329 17.389,1330 0.696,1331 0.565,1332 17.742,1333 14.123,1334 12.169,1335 0.435,1336 0.31,1337 7.796,1338 11.172,1339 7.606,1340 6.213,1341 12.577,1342 8.675,1343 10.971,1344 0.274,1345 0.168,1346 11.587,1347 6.721,1348 9.493,1349 0.17,1350 0.095,1351 10.333,1352 5.303,1353 8.29,1354 0.108,1355 0.054,1356 9.308,1357 4.161,1358 6.527,1359 0.068,1360 0.03,1361 7.45,1362 2.892,1363 0.327,1364 81.061,1365 0.23,1366 23.848,1367 0.611,1368 136,1369 432.729,1370 175.813,1371 432.453,1372 591.75,1373 406,1374 164,1375 419.473,1376 203.805,1377 436.388,1378 646.19,1379 412,1380 6}
{0 CHEMBL2322768,1 1.698,2 10.667,3 2.683,4 7.201,5 108.682,6 7.99,7 0.533,8 3.989,9 4.108,10 3.663,11 3.538,12 5.098,13 3.506,14 4.525,15 4.706,16 4.057,17 3.949,18 5.606,19 3.895,20 4.715,21 4.883,22 4.155,23 4.12,24 5.755,25 4.036,26 4.859,27 5.072,28 4.2,29 4.172,30 5.841,31 4.044,32 4.774,33 4.995,34 3.961,35 4.041,36 5.767,37 3.919,38 4.618,39 4.834,40 3.846,41 3.894,42 5.584,43 3.801,44 4.609,45 4.817,46 3.906,47 3.851,48 5.696,49 3.762,50 4.562,51 4.787,52 3.558,53 3.758,54 5.559,55 3.616,56 0.068,57 0.764,58 9.732,59 4.38,60 8.799,61 5.392,62 0.33,63 1.216,64 20.322,65 7.374,66 29.579,67 9.14,68 0.299,69 1.423,70 25.859,71 9.729,72 29.629,73 11.937,74 0.356,75 1.596,76 35.083,77 12.088,78 38.824,79 14.811,80 0.496,81 1.444,82 33.715,83 10.888,84 43.485,85 13.475,86 0.264,87 1.268,88 24.361,89 8.05,90 23.7,91 10.729,92 0.407,93 1.254,94 23.729,95 7.265,96 36.039,97 9.601,98 0.314,99 1.127,100 28.651,101 8.972,102 35.372,103 10.974,104 23,105 43,106 0.288,107 0.653,108 0.799,109 0.841,110 0.848,111 0.848,112 3.341,113 0.957,114 -4.36,115 -4.3,116 -4.05,119 39.6,121 1,124 2,125 3,142 4,143 3,144 1,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 4,177 1,178 1,180 1,183 9,185 1,186 1,187 9,192 2,195 7,197 2,198 1,199 8,204 1,207 7,209 1,211 2,212 6,214 1,215 1,217 1,220 6,222 1,224 6,232 1,236 2,237 9,242 3,247 3,249 1,250 7,255 1,260 1,263 2,275 1045,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 16.196,282 18.003,283 10.599,284 18.697,285 14.825,286 14.825,287 14.825,288 14.825,289 14.825,290 11.695,291 16.842,292 5.032,293 15.718,294 3.887,295 1.727,296 0.865,297 0.615,298 0.573,299 0.573,300 4.037,303 1,304 1,305 1,306 620,307 3.464,310 107.769,311 56.707,312 60.839,315 88.067,316 101.085,318 1.679,319 22.942,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 288,332 4.583,333 3.514,334 6.757,335 4.171,336 3.226,337 4.312,338 0.98,339 11.108,340 3.057,341 4.334,342 3.305,343 6.474,344 3.924,345 2.975,346 3.981,347 0.86,348 10.085,349 2.819,350 4.081,351 3.043,352 5.989,353 3.7,354 2.714,355 3.633,356 0.8,357 8.5,358 2.661,359 3.73,360 2.723,361 5.683,362 3.338,363 2.372,364 3.11,366 7.456,367 2.289,368 3.267,369 2.546,370 5.129,371 3.119,372 2.199,373 2.43,375 5.927,376 2.018,377 3.134,378 2.185,379 4.722,380 2.792,381 1.86,382 2.196,384 5.04,385 1.716,386 3.021,387 1.99,388 4.625,389 2.725,390 1.804,391 2.147,393 4.935,394 1.644,395 2.795,396 1.878,397 3.965,398 2.302,399 1.295,400 1.829,402 3.148,403 1.291,404 2.629,405 1.361,406 3.87,407 2.18,408 1.267,409 1.673,411 3.03,412 1.153,413 2.461,414 1.196,415 3.763,416 2.014,417 1.05,418 1.425,420 2.586,421 1.003,422 2.233,423 1.007,424 3.427,425 1.705,426 0.815,427 1.101,428 2.111,429 0.706,430 2.126,431 0.771,432 3.385,433 1.66,434 0.747,435 1.044,436 1.981,437 0.676,438 1.578,439 0.519,440 2.832,441 1.385,442 0.428,443 0.481,445 0.952,446 0.408,447 1.185,448 0.178,449 2.759,450 0.882,451 -0.054,452 -0.063,454 -0.138,455 -0.05,456 0.968,457 0.159,458 2.593,459 0.603,460 -0.343,461 -0.424,463 -0.913,464 -0.318,465 13,466 0.481,467 0.733,468 0.027,469 34,470 1.259,471 16,472 0.593,473 18,474 0.667,475 23.647,476 0.876,477 29,478 0.604,479 24.809,480 0.919,481 6.671,482 0.247,483 6.354,484 0.235,485 0.133,487 0.369,493 0.799,494 1.264,495 0.732,496 0.982,497 0.705,498 0.922,499 1.037,500 0.771,501 0.795,502 0.68,503 0.526,504 0.694,505 1.088,506 1.047,507 1.001,508 1.065,509 0.893,510 1.017,511 0.866,512 1.078,513 1.101,514 1.159,515 0.838,516 1.009,517 0.827,518 1.022,519 1.299,520 1.174,521 0.658,522 1.006,523 0.937,524 1.187,525 1.008,526 1.064,527 0.723,528 1.043,529 1.094,530 1.151,531 1.023,532 1.04,533 1.294,534 1.091,535 0.987,536 1.203,537 1.566,538 1.474,539 1.039,540 1.232,541 5.5,542 0.17,543 3.333,544 1.882,545 1.543,546 1.031,547 0.661,548 0.363,549 0.283,550 0.178,551 8461,552 23442,553 2.097,554 43.8,556 16,558 1,559 2,561 2,564 1.702,565 1.952,566 3.365,567 0.304,568 1,569 1,573 81.519,574 1.698,575 3.858,576 4.72,577 4.97,578 5.012,579 5.012,580 2.834,581 4.31,582 4.72,583 3.528,584 1238.44,585 8.206,586 15477.3,588 1,590 1,591 268.078,592 1.447,593 4.681,594 0.183,595 0.01,596 0.078,597 0.042,598 0.036,599 0.027,600 0.019,601 0.011,602 0.011,603 0.01,604 0.428,605 0.17,606 1,607 1.215,608 132.731,609 -0.008,610 -0.089,611 0.072,612 -0.003,613 -0.065,614 0.011,615 -0.035,616 0.338,617 0.142,618 0.299,619 0.145,620 0.241,621 -0.104,622 0.002,623 -0.011,624 -0.003,625 -0.054,626 -0.035,627 -0.002,628 -0.062,629 0.079,630 -0.01,631 -0.022,632 0.016,633 0.078,635 -0.117,636 -0.047,637 0.083,638 0.005,639 -0.11,640 -0.155,641 -0.071,642 -0.1,643 -0.057,644 -0.076,645 -0.054,646 -0.08,647 -0.069,648 -0.108,649 -0.14,650 -0.172,651 -0.064,652 -0.199,653 -0.332,654 -0.319,655 -0.044,656 -0.213,657 2.119,658 4.473,659 0.704,660 25.331,661 1.006,662 1.128,663 3.135,664 9.825,665 0.681,666 3.434,667 3.784,668 4.078,669 4.382,670 4.615,671 4.852,672 5.03,673 5.165,674 5.333,675 5.438,676 6.222,677 0.645,678 383.52,679 3.434,680 4.99,681 5.855,682 6.751,683 7.641,684 8.545,685 9.445,686 10.354,687 11.26,688 12.171,689 10.4,692 1,696 1,697 1,699 2,704 5,705 2,708 1,709 7,710 1,711 16,717 1,729 1,731 48,733 17,734 1,735 30,737 51,738 19,739 12,740 3,741 3,742 1,746 4,747 7,755 1,758 1,761 13,762 6,766 1,771 1,775 1,778 1,781 21,782 6,783 2,784 8,785 1,790 5,794 0.5,795 2,811 2,812 1,813 1,816 1,817 1,836 1,840 2,842 1,844 2,848 27,849 1,854 4,856 1,859 1,865 1,867 1,870 4.2,873 1,875 1,877 13.833,878 9.3,879 5.833,880 2.755,881 3.224,882 1.407,883 1.003,884 5.085,885 11.155,886 3.689,887 4.304,888 4.916,889 5.536,890 5.993,891 6.462,892 6.929,893 7.311,894 7.722,895 8.076,896 1,897 45,898 9.961,900 4.235,901 7.71,902 19.132,904 15.801,905 2.21,906 59.667,909 1,910 223.651,911 130.482,912 71.247,914 36.145,916 31.278,917 99.204,918 259.796,919 71.247,920 16.793,921 44.236,922 37.905,923 77.397,924 39.32,925 2.717,926 243.158,928 223.651,929 170.451,930 36.145,931 31.278,933 200.109,934 59.687,937 60.083,938 76.919,939 33.449,940 31.278,941 223.651,942 107.391,943 130.482,946 223.651,947 67.166,948 68.217,950 102.491,951 223.651,952 107.391,953 130.482,955 0.587,956 0.335,957 0.181,958 0.101,959 22,960 10,961 0.098,962 5,963 2,964 1.211,965 3.811,966 240.511,967 0.211,968 19,969 126.382,970 1,974 18.293,975 7.506,976 3.676,978 105.615,979 9.17,980 8.85,983 1.679,984 6.487,985 1.943,986 32.897,987 461.524,988 39,993 11.473,997 -0.452,999 48.309,1000 54.152,1001 0.304,1002 0.691,1003 0.845,1004 0.89,1005 0.897,1006 0.897,1007 4.942,1008 1.295,1009 5.855,1010 4.935,1011 4.466,1012 4.99,1013 1.679,1014 6.696,1015 4.356,1016 6.157,1017 1.267,1018 7.432,1019 3.148,1020 4.111,1021 4.844,1022 0.325,1023 7.656,1024 3.966,1025 7.474,1026 1.05,1027 9.109,1028 3.03,1029 6.084,1030 7.194,1031 1.481,1032 10.771,1033 5.883,1034 8.829,1035 0.815,1036 10.846,1037 2.586,1038 6.553,1039 7.907,1040 0.268,1041 12.569,1042 6.307,1043 10.218,1044 0.747,1045 12.62,1046 2.111,1047 8.001,1048 9.712,1049 1.348,1050 15.198,1051 7.71,1052 11.631,1053 0.428,1054 14.421,1055 1.981,1056 8.836,1057 10.807,1058 0.188,1059 17.331,1060 8.492,1061 13.062,1062 -0.054,1063 16.241,1064 0.952,1065 10.087,1066 12.395,1067 1.243,1068 19.797,1069 9.699,1070 3.226,1071 -0.343,1072 18.075,1073 -0.138,1074 11.089,1075 13.666,1076 0.125,1077 22.071,1078 10.644,1079 2.975,1080 11.108,1081 19.919,1082 -0.913,1083 12.266,1084 15.164,1085 1.157,1086 24.482,1087 11.774,1088 2.714,1089 10.085,1090 21.772,1091 4.312,1092 13.345,1093 16.519,1094 0.082,1095 26.817,1096 12.794,1097 2.372,1098 8.5,1099 23.632,1100 3.981,1101 14.498,1102 17.979,1103 1.086,1104 29.21,1105 13.896,1106 2.199,1107 7.456,1108 25.497,1109 3.633,1110 15.613,1111 19.376,1112 0.054,1113 31.574,1114 14.953,1115 1.86,1116 5.927,1117 27.366,1118 3.11,1119 16.759,1120 20.823,1121 1.026,1122 33.962,1123 16.046,1124 1.804,1125 5.04,1126 29.24,1127 2.43,1128 17.892,1129 22.241,1130 0.035,1131 36.341,1132 17.122,1133 8186,1134 13782,1135 19.997,1136 32.676,1137 46.142,1138 46.182,1139 46.78,1140 45.503,1141 45.504,1142 58.723,1143 5.28,1144 133.72,1145 42.883,1146 5.456,1147 5.514,1148 6.278,1149 5.33,1150 5.226,1151 7.312,1152 1.96,1153 18.337,1154 5.057,1155 13.915,1156 1.538,1157 1.539,1158 1.559,1159 1.517,1160 1.517,1161 1.957,1162 0.176,1163 4.457,1164 1.429,1165 4.079,1166 4.1,1167 4.3,1168 4.062,1169 7.437,1170 4.021,1171 3.9,1172 3.95,1173 3.866,1174 3.767,1175 5.069,1176 3.767,1177 3.714,1178 3.754,1179 3.755,1180 3.563,1181 4.916,1182 3.578,1183 3.578,1184 3.663,1185 3.443,1186 3.335,1187 4.809,1188 3.351,1189 3.325,1190 3.361,1191 3.338,1192 3.167,1193 4.431,1194 3.139,1195 3.292,1196 3.347,1197 3.201,1198 3.048,1199 4.313,1200 3.086,1201 3.094,1202 3.193,1203 2.869,1204 2.88,1205 4.281,1206 2.863,1207 2.874,1208 3.009,1209 2.781,1210 2.717,1211 3.76,1212 2.703,1213 0.153,1214 0.117,1215 0.225,1216 0.139,1217 0.108,1218 4.583,1219 0.144,1220 3.514,1221 0.033,1222 6.757,1223 0.37,1224 4.171,1225 0.102,1226 3.226,1227 4.312,1228 0.98,1229 11.108,1230 3.057,1231 1.915,1232 1.904,1233 1.982,1234 1.993,1235 1.168,1236 1.991,1237 1.71,1238 1.66,1239 1.909,1240 1.941,1241 1.154,1242 1.936,1243 1.64,1244 1.585,1245 1.839,1246 1.796,1247 1.091,1248 1.812,1249 1.473,1250 1.44,1251 1.641,1252 1.683,1253 0.787,1254 1.68,1255 1.29,1256 1.249,1257 1.459,1258 1.557,1259 0.65,1260 1.519,1261 1.263,1262 1.186,1263 1.417,1264 1.525,1265 0.525,1266 1.511,1267 1.068,1268 0.995,1269 1.396,1270 1.297,1271 0.469,1272 1.317,1273 0.971,1274 0.921,1275 1.286,1276 1.239,1277 0.204,1278 1.308,1279 4.111,1281 5.451,1282 3.045,1283 6.963,1284 5.416,1285 8.561,1286 7.526,1287 10.212,1289 4.086,1293 5.402,1295 3.046,1297 5.86,1300 2.124,1305 30.938,1306 81.519,1307 185.166,1308 226.568,1309 238.568,1310 240.568,1311 240.568,1312 40.401,1313 7.931,1314 86.27,1315 114.51,1316 23,1317 12.687,1318 4.17,1319 3.322,1320 40.168,1321 101,1322 103,1323 0.202,1324 193.127,1325 325.09,1326 462.99,1327 30576,1329 18.966,1330 0.702,1331 0.597,1332 19.319,1333 16.123,1334 13.025,1335 0.434,1336 0.319,1337 8.671,1338 11.995,1339 8.342,1340 6.911,1341 13.433,1342 9.57,1343 12.153,1344 0.283,1345 0.181,1346 12.769,1347 7.801,1348 9.948,1349 0.172,1350 0.099,1351 10.789,1352 5.75,1353 8.467,1354 0.107,1355 0.055,1356 9.485,1357 4.361,1358 6.804,1359 0.068,1360 0.031,1361 7.726,1362 3.081,1363 0.312,1364 86.271,1365 0.224,1366 25.649,1367 0.565,1368 146,1369 430.224,1370 185.79,1371 434.933,1372 598.37,1373 408,1374 174,1375 429.366,1376 214.612,1377 450.978,1378 662.93,1379 422,1380 6.848}
{0 CHEMBL2322769,1 1.727,2 10.074,3 2.588,4 6.697,5 106.011,6 8.181,7 0.533,8 3.974,9 4.081,10 3.658,11 3.537,12 5.123,13 3.509,14 4.502,15 4.654,16 4.098,17 3.96,18 5.669,19 3.916,20 4.763,21 4.911,22 4.174,23 4.122,24 5.903,25 4.048,26 4.887,27 5.114,28 4.228,29 4.164,30 5.906,31 4.049,32 4.718,33 4.898,34 4.009,35 4.054,36 5.853,37 3.951,38 4.648,39 4.858,40 3.887,41 3.92,42 5.656,43 3.807,44 4.577,45 4.774,46 3.849,47 3.82,48 5.695,49 3.727,50 4.531,51 4.762,52 3.534,53 3.681,54 5.564,55 3.579,56 0.106,57 0.72,58 9.195,59 4.452,60 15.403,61 5.162,62 0.288,63 1.16,64 18.56,65 7.804,66 36.48,67 9.202,68 0.489,69 1.42,70 26.496,71 9.969,72 57.216,73 11.41,74 0.518,75 1.612,76 37.051,77 12.047,78 52.712,79 14.736,80 0.502,81 1.389,82 30.026,83 10.411,84 50.892,85 12.178,86 0.328,87 1.271,88 24.006,89 8.734,90 34.008,91 11.037,92 0.442,93 1.197,94 28.982,95 8.568,96 41.212,97 10.033,98 0.337,99 1.049,100 22.384,101 7.652,102 40.691,103 10.085,104 31,105 45,106 0.294,107 0.689,108 0.816,109 0.845,110 0.852,111 0.852,112 3.341,113 0.944,114 -4.36,115 -4.3,116 -4.05,119 40.4,120 2,121 1,125 2,130 1,142 4,143 3,144 1,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 4,177 1,178 1,180 3,183 10,185 1,187 11,190 1,192 2,195 7,197 2,199 10,202 1,204 1,207 7,209 1,211 1,212 8,214 1,215 2,217 1,220 6,222 1,224 4,229 2,232 5,236 2,237 8,242 4,245 2,247 3,249 1,250 5,255 3,258 4,260 1,263 1,268 1,271 2,275 1007,276 17.687,277 17.687,278 17.687,279 17.687,280 17.687,281 15.729,282 16.579,283 10.094,284 18.156,285 14.847,286 14.847,287 14.847,288 14.847,289 14.847,290 11.733,291 14.926,292 4.806,293 15.662,294 3.828,295 1.503,296 0.756,297 0.585,298 0.543,299 0.543,300 4.032,303 1,304 1,305 1,306 584,307 3.742,310 107.123,311 56.409,312 60.449,315 87.464,316 100.506,318 1.643,319 30.093,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 272,332 4.586,333 3.514,334 6.762,335 4.19,336 3.247,337 4.312,338 0.98,339 11.132,340 3.065,341 4.365,342 3.402,343 6.579,344 4.1,345 3.145,346 3.987,347 0.86,348 10.523,349 2.995,350 4.138,351 3.29,352 6.313,353 3.855,354 2.901,355 3.643,357 9.638,358 2.773,359 3.99,360 2.976,361 5.984,362 3.671,363 2.689,364 3.14,366 8.474,367 2.615,368 3.713,369 2.681,370 5.676,371 3.314,372 2.345,373 3.031,375 7.428,376 2.268,377 3.175,378 2.185,379 5.064,380 2.778,381 1.845,382 2.39,384 5.7,385 1.703,386 3.021,387 1.951,388 4.72,389 2.723,390 1.8,391 2.147,393 4.938,394 1.644,395 2.795,396 1.877,397 3.965,398 2.302,399 1.294,400 1.829,402 3.121,403 1.291,404 2.579,405 1.272,406 3.871,407 2.09,408 1.178,409 1.609,411 2.96,412 1.072,413 2.461,414 1.192,415 3.763,416 2.011,417 1.049,418 1.425,420 2.57,421 1,422 2.233,423 1.007,424 3.429,425 1.705,426 0.815,427 1.1,428 2.111,429 0.706,430 2.126,431 0.77,432 3.385,433 1.66,434 0.746,435 1.044,436 1.98,437 0.675,438 1.19,439 0.182,440 3,441 0.888,442 -0.047,443 -0.055,445 -0.122,446 -0.044,447 0.969,448 0.159,449 2.76,450 0.686,451 -0.257,452 -0.296,454 -0.754,455 -0.239,456 0.927,457 -0.085,458 2.593,459 0.601,460 -0.343,461 -0.424,463 -0.914,464 -0.318,465 12.933,466 0.479,467 0.943,468 0.035,469 33.5,470 1.241,471 16,472 0.593,473 17.5,474 0.648,475 25.466,476 0.943,477 29.067,478 0.618,479 24.449,480 0.906,481 6.262,482 0.232,483 6.554,484 0.243,485 0.16,486 0.039,487 0.34,493 0.838,494 1.093,495 0.735,496 0.905,497 0.841,498 0.866,499 0.845,500 0.898,501 0.719,502 0.808,503 0.561,504 0.759,505 1.339,506 1.136,507 1.105,508 1.078,509 1.275,510 1.083,511 0.814,512 0.925,513 1.016,514 0.967,515 0.652,516 0.826,517 0.805,518 1.138,519 1.402,520 1.308,521 0.689,522 1.14,523 0.865,524 1.151,525 0.967,526 1.064,527 0.723,528 1.131,529 0.971,530 1.233,531 1.486,532 1.41,533 1.111,534 1.113,535 0.879,536 1.065,537 0.964,538 1.057,539 0.895,540 1.102,541 7,542 0.162,543 3.333,544 2.257,545 1.773,546 1.351,547 0.521,548 0.538,549 0.319,550 0.267,551 8245,552 24472,553 2.066,554 42.6,556 8,558 1,559 3,561 8,564 1.703,565 1.895,566 3.291,567 0.981,568 1,569 1,573 81.162,574 1.727,575 4.052,576 4.799,577 4.969,578 5.012,579 5.012,580 2.756,581 4.208,582 4.724,583 3.475,584 1219.7,585 8.213,586 15111.1,588 1,590 1,591 261.066,592 1.675,593 4.66,594 0.233,595 0.01,596 0.074,597 0.05,598 0.039,599 0.034,600 0.016,601 0.017,602 0.013,603 0.014,604 0.5,605 0.17,606 1,607 1.081,608 132.126,609 -0.059,610 0.055,611 0.049,612 0.076,613 -0.143,614 0.058,615 0.041,616 0.185,617 0.185,618 0.196,619 0.145,620 0.194,621 -0.2,622 -0.111,623 -0.124,624 -0.042,625 -0.204,626 -0.134,627 0.004,628 0.098,629 0.169,630 0.148,631 0.042,632 0.196,633 0.052,634 -0.065,635 -0.246,636 -0.168,637 0.049,638 -0.146,639 -0.092,640 -0.131,641 -0.044,642 -0.104,643 -0.067,644 -0.156,645 -0.02,646 -0.149,647 -0.213,648 -0.246,649 -0.091,650 -0.127,651 -0.019,652 -0.118,653 -0.096,654 -0.161,655 -0.013,656 -0.121,657 2.141,658 4.46,659 0.704,660 23.61,661 1.011,662 1.125,663 3.135,664 9.825,665 0.684,666 3.434,667 3.829,668 4.078,669 4.407,670 4.635,671 4.868,672 5.03,673 5.176,674 5.371,675 5.438,676 6.048,677 0.652,678 384.5,679 3.434,680 5.017,681 5.878,682 6.795,683 7.678,684 8.597,685 9.492,686 10.411,687 11.312,688 12.232,689 8.5,696 1,697 1,699 2,704 5,705 2,708 1,709 7,710 1,711 16,717 1,729 1,731 47,733 17,734 1,735 30,737 50,738 19,739 12,740 3,741 3,742 1,746 4,747 7,752 2,755 1,758 1,761 13,762 6,763 1,766 1,771 1,775 1,777 1,778 1,781 20,782 6,783 3,784 8,785 1,790 4,794 0.5,795 3,798 1,811 2,812 1,813 1,816 1,817 1,838 1,840 2,842 1,844 2,848 27,849 1,853 1,854 3,856 1,860 1,865 1,867 1,870 6.4,871 1,873 1,875 1,877 14.25,878 9.05,879 5.625,880 2.68,881 3.224,882 1.407,883 0.958,884 4.622,885 11.155,886 3.689,887 4.331,888 4.916,889 5.552,890 6.008,891 6.478,892 6.94,893 7.318,894 7.75,895 8.084,896 0.857,897 45,898 9.989,900 4.367,901 7.849,902 18.912,904 15.918,905 2.349,906 63.417,909 1,910 200.109,911 129.234,912 68.122,914 78.828,916 31.278,917 97.956,918 278.937,919 68.122,920 17.65,921 42.13,922 80.588,923 77.397,924 36.195,925 2.717,926 219.615,928 200.109,929 166.078,930 78.828,931 31.278,933 105.94,934 130.314,935 42.683,937 72.503,938 60.127,939 33.449,940 31.278,941 200.109,942 146.95,943 129.234,946 200.109,947 65.06,948 65.951,950 145.174,951 200.109,952 146.95,953 129.234,955 0.601,956 0.327,957 0.181,958 0.101,959 24,960 11,961 0.08,962 4,963 2,964 1.211,965 3.736,966 244.268,967 0.211,968 19,969 126.382,970 1,974 18.293,975 6.823,976 3.676,978 145.174,979 8.897,980 8.644,983 1.602,984 5.998,985 1.721,986 75.581,987 476.293,988 39,993 11.46,997 -0.475,999 47.534,1000 52.863,1001 0.311,1002 0.729,1003 0.864,1004 0.895,1005 0.902,1006 0.902,1007 4.97,1008 1.294,1009 5.927,1010 4.938,1011 4.511,1012 5.017,1013 1.481,1014 6.806,1015 4.408,1016 6.219,1017 1.178,1018 7.532,1019 3.121,1020 4.369,1021 4.977,1023 7.955,1024 4.231,1025 7.561,1026 1.049,1027 9.239,1028 2.96,1029 6.221,1030 7.241,1031 1.37,1032 10.973,1033 6.027,1034 8.936,1035 0.815,1036 11.003,1037 2.57,1038 6.836,1039 7.988,1041 12.861,1042 6.595,1043 10.339,1044 0.746,1045 12.801,1046 2.111,1047 8.228,1048 9.758,1049 1.275,1050 15.449,1051 7.939,1052 11.761,1053 -0.047,1054 14.621,1055 1.98,1056 9.149,1057 10.858,1059 17.617,1060 8.805,1061 13.198,1062 -0.257,1063 16.455,1064 -0.122,1065 10.381,1066 12.43,1067 1.193,1068 20.066,1069 9.989,1070 3.247,1071 -0.343,1072 18.3,1073 -0.754,1074 11.431,1075 13.7,1077 22.351,1078 10.98,1079 3.145,1080 11.132,1081 20.153,1082 -0.914,1083 12.605,1084 15.19,1085 1.123,1086 24.752,1087 12.105,1088 2.901,1089 10.523,1090 22.012,1091 4.312,1092 13.71,1093 16.542,1095 27.088,1096 13.151,1097 2.689,1098 9.638,1099 23.876,1100 3.987,1101 14.866,1102 17.999,1103 1.062,1104 29.474,1105 14.254,1106 2.345,1107 8.474,1108 25.744,1109 3.643,1110 15.997,1111 19.394,1113 31.835,1114 15.327,1115 1.845,1116 7.428,1117 27.615,1118 3.14,1119 17.149,1120 20.838,1121 1.01,1122 34.219,1123 16.424,1124 1.8,1125 5.7,1126 29.49,1127 3.031,1128 18.292,1129 22.255,1131 36.593,1132 17.51,1133 7990,1134 13888,1135 19.592,1136 32.125,1137 47.167,1138 47.066,1139 47.023,1140 46.077,1141 46.11,1142 59.316,1143 3.68,1144 141.148,1145 43.616,1146 5.46,1147 5.514,1148 6.283,1149 5.349,1150 5.247,1151 7.312,1152 1.96,1153 18.366,1154 5.065,1155 15.246,1156 1.572,1157 1.569,1158 1.567,1159 1.536,1160 1.537,1161 1.977,1162 0.123,1163 4.705,1164 1.454,1165 4.08,1166 4.102,1167 4.301,1168 4.062,1169 7.437,1170 4.022,1171 3.907,1172 3.953,1173 3.869,1174 3.77,1175 6.449,1176 3.773,1177 3.725,1178 3.753,1179 3.767,1180 3.612,1181 5.066,1182 3.613,1183 3.573,1184 3.632,1185 3.46,1186 3.369,1187 4.916,1188 3.387,1189 3.319,1190 3.354,1191 3.337,1192 3.163,1193 4.809,1194 3.135,1195 3.292,1196 3.347,1197 3.201,1198 3.046,1199 4.43,1200 3.085,1201 2.874,1202 3.009,1203 2.782,1204 2.717,1205 4.281,1206 2.703,1207 2.842,1208 2.936,1209 2.59,1210 2.618,1211 4.031,1212 2.57,1213 0.153,1214 0.117,1215 0.225,1216 0.14,1217 0.108,1218 4.586,1219 0.144,1220 3.514,1221 0.033,1222 6.762,1223 0.371,1224 4.19,1225 0.102,1226 3.247,1227 4.312,1228 0.98,1229 11.132,1230 3.065,1231 1.915,1232 1.904,1233 1.982,1234 1.993,1235 1.174,1236 1.991,1237 1.743,1238 1.695,1239 1.942,1240 1.949,1241 1.165,1242 1.944,1243 1.653,1244 1.615,1245 1.84,1246 1.793,1247 1.092,1248 1.81,1249 1.465,1250 1.453,1251 1.537,1252 1.614,1253 0.751,1254 1.615,1255 1.275,1256 1.245,1257 1.417,1258 1.556,1259 0.53,1260 1.518,1261 1.203,1262 1.112,1263 1.417,1264 1.511,1265 0.505,1266 1.482,1267 1.005,1268 0.942,1269 1.384,1270 1.247,1271 0.469,1272 1.308,1273 0.934,1274 0.878,1275 1.258,1276 1.239,1277 0.196,1278 1.258,1279 4.111,1281 5.485,1282 3.045,1283 7.018,1284 5.416,1285 8.629,1286 7.526,1287 10.287,1289 3.484,1293 5.386,1294 10.122,1295 1.632,1297 5.833,1301 -0.886,1305 30.632,1306 81.162,1307 190.436,1308 225.556,1309 233.556,1310 235.556,1311 235.556,1312 49.013,1313 7.931,1314 103.26,1315 131.5,1316 23,1317 12.744,1318 4.17,1319 3.322,1320 40.138,1321 99,1322 92,1323 0.207,1324 190.329,1325 322.88,1326 456.163,1327 30144,1329 19.181,1330 0.71,1331 0.589,1332 19.535,1333 15.916,1334 12.815,1335 0.427,1336 0.315,1337 8.563,1338 11.84,1339 8.218,1340 6.79,1341 13.224,1342 9.436,1343 12.947,1344 0.288,1345 0.183,1346 13.563,1347 8.245,1348 9.708,1349 0.167,1350 0.095,1351 10.548,1352 5.528,1353 8.601,1354 0.106,1355 0.054,1356 9.619,1357 4.385,1358 6.835,1359 0.067,1360 0.03,1361 7.747,1362 3.056,1363 0.318,1364 84.733,1365 0.226,1366 25.491,1367 0.586,1368 150,1369 446.729,1370 191.142,1371 450.521,1372 615.63,1373 420,1374 178,1375 442.988,1376 218.802,1377 463.173,1378 680.47,1379 434,1380 6.318}
{0 CHEMBL2322770,1 2.013,2 10.074,3 3.552,4 12.617,5 96.113,6 9.86,7 0.533,8 3.858,9 3.95,10 3.678,11 3.415,12 5.12,13 3.43,14 4.407,15 4.533,16 4.172,17 3.825,18 6.131,19 3.828,20 4.591,21 4.738,22 4.174,23 3.968,24 5.885,25 3.936,26 4.619,27 4.757,28 4.26,29 4.026,30 5.965,31 3.963,32 4.615,33 4.782,34 4.066,35 3.899,36 6.014,37 3.841,38 4.463,39 4.658,40 3.955,41 3.66,42 5.727,43 3.639,44 4.386,45 4.57,46 3.865,47 3.526,48 5.781,49 3.563,50 4.324,51 4.53,52 3.579,53 3.412,54 5.616,55 3.405,56 0.268,57 0.854,58 4.276,59 3.735,60 41.134,61 3.298,62 1.007,63 1.695,64 11.675,65 6.683,66 161.454,67 5.906,68 0.964,69 1.506,70 18.198,71 8.244,72 108.637,73 7.494,74 0.756,75 1.606,76 18.858,77 9.268,78 87.437,79 8.521,80 0.901,81 1.603,82 25.14,83 9.834,84 100.007,85 9.862,86 0.746,87 1.391,88 19.903,89 7.756,90 93.371,91 7.677,92 0.776,93 1.225,94 14.593,95 5.553,96 106.881,97 5.253,98 0.664,99 1.047,100 16.09,101 5.951,102 89.815,103 6.391,104 31,105 45,106 0.353,107 0.732,108 0.834,109 0.869,110 0.878,111 0.878,112 3.341,113 0.878,114 -5.01,115 -4.91,116 -4.6,119 42.5,121 1,125 2,132 1,142 4,143 3,144 1,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 6,174 2,175 4,177 1,178 1,180 1,183 9,185 1,187 9,192 2,195 7,197 2,199 8,204 1,207 7,209 1,211 1,212 6,214 1,215 1,217 1,220 6,222 1,224 4,232 1,236 2,237 8,242 3,247 3,249 1,250 5,255 1,260 1,263 1,275 1007,276 17.687,277 17.687,278 17.687,279 17.687,280 17.687,281 15.729,282 15.708,283 10.094,284 18.377,285 14.847,286 14.847,287 14.847,288 14.847,289 14.847,290 11.733,291 13.613,292 4.806,293 16.095,294 3.309,295 1.147,296 0.569,297 0.369,298 0.319,299 0.319,300 4.032,304 1,305 1,306 584,307 3.742,310 107.123,311 56.409,312 60.449,315 87.464,316 100.506,318 1.643,319 47.765,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 62.5,331 272,332 4.586,333 4.269,334 6.762,335 4.178,336 3.247,337 4.312,338 3.02,339 11.132,340 3.058,341 4.365,342 3.514,343 6.579,344 4.02,345 3.145,346 3.987,347 0.98,348 10.523,349 2.837,350 4.138,351 3.302,352 6.313,353 3.811,354 2.901,355 3.643,356 0.86,357 9.638,358 2.683,359 3.99,360 3.014,361 5.984,362 3.653,363 2.689,364 3.14,366 8.474,367 2.407,368 3.713,369 2.696,370 5.676,371 3.31,372 2.345,373 3.031,375 7.428,376 2.239,377 3.175,378 2.185,379 5.064,380 2.773,381 1.845,382 2.39,384 5.7,385 1.686,386 3.021,387 1.97,388 4.72,389 2.722,390 1.8,391 2.147,393 4.938,394 1.643,395 2.795,396 1.878,397 3.965,398 2.302,399 1.294,400 1.829,402 3.121,403 1.291,404 2.579,405 1.295,406 3.871,407 2.082,408 1.178,409 1.609,411 2.96,412 1.061,413 2.461,414 1.194,415 3.763,416 2.01,417 1.049,418 1.425,420 2.57,421 0.999,422 2.233,423 1.007,424 3.429,425 1.705,426 0.815,427 1.1,428 2.111,429 0.706,430 2.126,431 0.771,432 3.385,433 1.66,434 0.746,435 1.044,436 1.98,437 0.675,438 1.19,439 0.51,440 3,441 0.887,442 -0.047,443 -0.055,445 -0.122,446 -0.044,447 0.969,448 0.51,449 2.76,450 0.654,451 -0.257,452 -0.296,454 -0.754,455 -0.231,456 0.927,457 0.183,458 2.593,459 0.6,460 -0.343,461 -0.424,463 -0.914,464 -0.318,465 12.457,466 0.461,467 0.943,468 0.035,469 34,470 1.259,471 16,472 0.593,473 18,474 0.667,475 22.866,476 0.847,477 29.543,478 0.739,479 27.049,480 1.002,481 6.758,482 0.25,483 6.058,484 0.224,485 0.128,486 0.04,487 0.353,490 3,493 0.632,494 0.891,495 0.615,496 0.869,497 0.615,498 0.797,499 0.549,500 0.644,501 0.694,502 0.766,503 0.379,504 0.776,505 0.897,506 0.672,507 1.05,508 0.891,509 0.842,510 0.937,511 0.612,512 0.8,513 1.215,514 1.297,515 0.557,516 1.213,517 0.632,518 0.924,519 1.333,520 1.378,521 0.607,522 1.231,523 0.814,524 1.077,525 0.805,526 1.134,527 0.77,528 1.079,529 1.048,530 1.074,531 0.868,532 0.943,533 1.094,534 0.981,535 0.842,536 0.983,537 0.975,538 1.096,539 0.808,540 1.154,541 7,542 0.162,543 3.333,544 2.257,545 1.773,546 1.351,547 0.521,548 0.538,549 0.319,550 0.267,551 8245,552 34362,553 2.066,554 32.5,556 8,558 1,559 2,561 2,564 1.703,565 1.895,566 3.291,567 0.377,569 1,573 80.53,574 2.013,575 4.175,576 4.753,577 4.953,578 5.003,579 5.003,580 2.756,581 4.208,582 4.724,583 3.475,584 1219.7,585 8.213,586 15111.1,588 1,590 1,591 212.877,592 1.675,593 4.66,594 0.233,595 0.01,596 0.074,597 0.05,598 0.039,599 0.034,600 0.016,601 0.017,602 0.013,603 0.014,604 0.5,605 0.33,606 1,607 1.081,608 132.126,609 -0.056,610 -0.004,611 0.024,612 0.049,613 -0.094,614 0.048,615 0.293,616 0.343,617 0.135,618 0.208,619 0.393,620 0.112,621 -0.092,622 0.21,623 -0.102,624 0.141,625 -0.117,626 0.03,627 0.028,628 0.015,629 -0.111,630 -0.142,631 0.018,632 -0.211,633 0.123,634 -0.076,635 -0.167,636 -0.227,637 0.092,638 -0.158,639 -0.025,640 -0.232,641 0.201,642 -0.154,643 -0.023,644 -0.016,645 -0.148,646 -0.177,647 -0.015,648 -0.098,649 -0.167,650 -0.058,651 -0.063,652 -0.24,653 -0.052,654 -0.225,655 -0.052,656 -0.119,657 5.636,658 4.756,659 0.704,660 23.61,661 1.049,662 1.146,663 3.778,664 14.274,665 0.699,666 3.434,667 3.829,668 4.078,669 4.407,670 4.635,671 4.868,672 5.03,673 5.176,674 5.371,675 5.438,676 6.048,677 0.7,678 394.41,679 3.434,680 5.017,681 5.878,682 6.795,683 7.678,684 8.597,685 9.492,686 10.411,687 11.312,688 12.232,689 10,696 1,697 1,699 2,704 5,705 2,708 1,709 7,710 1,711 16,717 1,729 1,731 40,733 17,734 1,735 30,737 43,738 17,739 12,740 3,741 3,742 1,746 4,747 7,752 1,755 1,757 1,758 1,761 13,762 4,766 1,771 1,775 1,778 1,779 3,781 13,782 8,783 2,784 10,785 1,790 4,794 0.5,795 2,811 2,812 1,813 1,816 1,817 1,840 2,842 1,846 3,848 27,849 1,854 3,856 1,860 1,865 1,867 1,869 3,870 5,873 1,875 1,877 14.25,878 7.279,879 5.625,880 2.237,881 3.224,882 1.407,883 1.026,884 4.526,885 11.155,886 3.689,887 4.331,888 4.916,889 5.552,890 6.008,891 6.478,892 6.94,893 7.318,894 7.75,895 8.084,896 0.857,897 45,898 10.397,900 5.008,901 8.367,902 18.15,904 15.236,905 2.867,906 77.417,909 1,910 129.482,911 119.343,912 68.122,914 36.145,915 44.88,916 31.278,917 88.065,918 165.627,919 113.003,921 42.13,922 37.905,923 77.397,924 81.076,925 2.717,926 148.989,927 7.76,928 129.482,929 156.188,930 81.025,931 31.278,933 105.94,934 104.567,937 62.612,938 60.127,939 33.449,940 31.278,941 174.362,942 104.267,943 119.343,946 137.242,947 65.06,948 48.3,950 147.371,951 129.482,952 149.147,953 119.343,955 0.601,956 0.327,957 0.181,958 0.101,959 24,960 11,961 0.07,962 3,963 2,964 1.211,965 3.736,966 244.268,967 0.211,968 19,969 123.627,970 1,974 18.145,975 6.735,976 3.621,978 147.371,979 7.851,980 7.695,983 1.317,984 4.201,985 0.846,986 32.897,987 397.973,988 39,993 11.389,997 -0.557,999 41.978,1000 45.842,1001 0.378,1002 0.785,1003 0.893,1004 0.931,1005 0.94,1006 0.94,1007 4.97,1008 1.294,1009 5.927,1010 4.938,1011 4.511,1012 5.017,1013 2.895,1014 6.806,1015 4.362,1016 6.219,1017 1.178,1018 7.532,1019 3.121,1020 4.369,1021 4.977,1022 3.075,1023 7.955,1024 4.082,1025 7.561,1026 1.049,1027 9.239,1028 2.96,1029 6.221,1030 7.241,1031 4.58,1032 10.973,1033 5.923,1034 8.936,1035 0.815,1036 11.003,1037 2.57,1038 6.836,1039 7.988,1040 5.466,1041 12.861,1042 6.401,1043 10.339,1044 0.746,1045 12.801,1046 2.111,1047 8.228,1048 9.758,1049 6.667,1050 15.449,1051 7.77,1052 11.761,1053 -0.047,1054 14.621,1055 1.98,1056 9.149,1057 10.858,1058 7.721,1059 17.617,1060 8.573,1061 13.198,1062 -0.257,1063 16.455,1064 -0.122,1065 10.381,1066 12.43,1067 8.85,1068 20.066,1069 9.763,1070 3.247,1071 -0.343,1072 18.3,1073 -0.754,1074 11.431,1075 13.7,1076 9.943,1077 22.351,1078 10.714,1079 3.145,1080 11.132,1081 20.153,1082 -0.914,1083 12.605,1084 15.19,1085 11.055,1086 24.752,1087 11.835,1088 2.901,1089 10.523,1090 22.012,1091 4.312,1092 13.71,1093 16.542,1094 12.157,1095 27.088,1096 12.856,1097 2.689,1098 9.638,1099 23.876,1100 3.987,1101 14.866,1102 17.999,1103 13.264,1104 29.474,1105 13.952,1106 2.345,1107 8.474,1108 25.744,1109 3.643,1110 15.997,1111 19.394,1112 14.368,1113 31.835,1114 15.007,1115 1.845,1116 7.428,1117 27.615,1118 3.14,1119 17.149,1120 20.838,1121 15.474,1122 34.219,1123 16.096,1124 1.8,1125 5.7,1126 29.49,1127 3.031,1128 18.292,1129 22.255,1130 16.579,1131 36.593,1132 17.17,1133 7990,1134 16478,1135 19.592,1136 27.96,1137 47.167,1138 46.774,1139 47.023,1140 46.292,1141 46.11,1142 59.316,1143 9.72,1144 141.148,1145 42.568,1146 5.46,1147 6.269,1148 6.283,1149 5.337,1150 5.247,1151 7.312,1152 4.53,1153 18.366,1154 5.058,1155 15.246,1156 1.572,1157 1.559,1158 1.567,1159 1.543,1160 1.537,1161 1.977,1162 0.324,1163 4.705,1164 1.419,1165 4.078,1166 4.098,1167 4.301,1168 4.061,1169 8.513,1170 4.021,1171 3.9,1172 3.949,1173 3.872,1174 3.766,1175 7.999,1176 3.766,1177 3.705,1178 3.735,1179 3.769,1180 3.535,1181 7.999,1182 3.564,1183 3.444,1184 3.498,1185 3.436,1186 3.204,1187 7.437,1188 3.204,1189 3.307,1190 3.349,1191 3.334,1192 3.083,1193 5.064,1194 3.105,1195 3.292,1196 3.342,1197 3.201,1198 3.032,1199 4.916,1200 3.077,1201 2.842,1202 2.895,1203 2.782,1204 2.717,1205 4.809,1206 2.703,1207 2.675,1208 2.749,1209 2.584,1210 2.495,1211 4.43,1212 2.501,1213 0.153,1214 0.142,1215 0.225,1216 0.139,1217 0.108,1218 4.586,1219 0.144,1220 4.269,1221 0.101,1222 6.762,1223 0.371,1224 4.178,1225 0.102,1226 3.247,1227 4.312,1228 3.02,1229 11.132,1230 3.058,1231 1.915,1232 1.904,1233 1.982,1234 1.993,1235 1.167,1236 1.991,1237 1.685,1238 1.648,1239 1.844,1240 1.89,1241 1.095,1242 1.851,1243 1.582,1244 1.543,1245 1.701,1246 1.782,1247 0.946,1248 1.787,1249 1.364,1250 1.335,1251 1.453,1252 1.557,1253 0.64,1254 1.528,1255 1.271,1256 1.237,1257 1.394,1258 1.538,1259 0.525,1260 1.517,1261 1.091,1262 1.023,1263 1.275,1264 1.402,1265 0.196,1266 1.345,1267 0.974,1268 0.925,1269 1.123,1270 1.22,1271 0.145,1272 1.216,1273 0.813,1274 0.752,1275 1.077,1276 1.006,1277 0.04,1278 1.043,1279 4.111,1281 5.485,1282 3.045,1283 7.018,1284 5.416,1285 8.629,1286 7.526,1287 10.287,1291 38.268,1293 5.314,1295 -0.236,1297 5.717,1301 -4.386,1305 28.013,1306 80.53,1307 167.003,1308 190.122,1309 198.122,1310 200.122,1311 200.122,1312 54.713,1313 7.931,1314 83.03,1315 111.27,1316 23,1317 12.744,1318 4.17,1319 3.322,1320 40.138,1321 99,1322 92,1323 0.207,1324 170.743,1325 297.7,1326 408.372,1327 30144,1328 7.5,1329 19.181,1330 0.71,1331 0.541,1332 17.035,1333 14.602,1334 12.815,1335 0.427,1336 0.293,1337 7.846,1338 11.607,1339 7.701,1340 6.24,1341 12.077,1342 8.78,1343 12.947,1344 0.288,1345 0.157,1346 11.206,1347 7.047,1348 9.708,1349 0.167,1350 0.092,1351 10.198,1352 5.32,1353 8.601,1354 0.106,1355 0.052,1356 9.086,1357 4.188,1358 6.835,1359 0.067,1360 0.028,1361 7.238,1362 2.904,1363 0.318,1364 86.483,1365 0.226,1366 25.491,1367 0.586,1368 150,1369 672.912,1370 205.391,1371 582.266,1372 762.51,1373 540,1374 178,1375 523.958,1376 226.107,1377 520.836,1378 784.21,1379 490,1380 6.312}
{0 CHEMBL2322771,1 1.722,2 10.077,3 5.053,4 25.534,5 98.263,6 9.059,7 0.586,8 3.843,9 3.923,10 3.618,11 3.493,12 5.053,13 3.467,14 4.362,15 4.484,16 4.039,17 3.892,18 5.594,19 3.853,20 4.619,21 4.758,22 4.212,23 4.031,24 5.898,25 3.993,26 4.663,27 4.805,28 4.18,29 4.044,30 6.054,31 3.965,32 4.608,33 4.776,34 3.918,35 3.964,36 5.904,37 3.841,38 4.505,39 4.71,40 3.795,41 3.75,42 5.681,43 3.655,44 4.317,45 4.496,46 3.645,47 3.546,48 5.79,49 3.503,50 4.192,51 4.379,52 3.523,53 3.493,54 5.364,55 3.438,56 0.089,57 0.665,58 5.695,59 3.959,60 9.737,61 4.097,62 0.291,63 1.114,64 12.848,65 6.869,66 19.427,67 7.024,68 0.502,69 1.487,70 20.64,71 9.305,72 47.205,73 9.136,74 0.676,75 1.622,76 24.061,77 10.446,78 94.685,79 9.638,80 0.63,81 1.408,82 27.449,83 10.868,84 85.19,85 10.857,86 0.414,87 1.2,88 23.246,89 9.12,90 54.511,91 10.052,92 0.678,93 1.078,94 17.862,95 6.83,96 96.52,97 6.772,98 0.264,99 0.918,100 13.505,101 6.06,102 32.239,103 6.874,104 17,105 42,106 0.3,107 0.62,108 0.777,109 0.887,110 0.896,111 0.896,112 3.305,113 0.925,114 -5.43,115 -5.31,116 -4.96,119 48.8,121 1,124 1,125 1,142 8,143 2,144 4,152 2,158 1,172 7,174 1,175 4,183 10,187 9,195 8,199 6,207 7,212 6,220 8,224 2,232 6,236 2,237 4,245 4,250 2,258 5,263 1,271 4,275 920,276 17.499,277 17.499,278 17.499,279 17.499,280 17.499,281 15.345,282 17.264,283 10.103,284 17.976,285 14.278,286 14.278,287 14.278,288 14.278,289 14.278,290 10.917,291 17.288,292 4.772,293 15.103,294 3.635,295 1.796,296 0.896,297 0.262,298 0.214,299 0.214,300 4,304 1,305 1,306 575,307 3.162,310 41.846,311 137.545,312 60.292,315 87.764,316 101.881,318 1.467,319 38.451,322 0.75,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.84,330 57.5,331 262,332 4.56,333 3.738,334 6.757,335 4.167,336 3.22,337 4.256,338 1.2,339 11.062,340 3.044,341 4.355,342 3.282,343 6.613,344 4.005,345 3.051,346 3.948,347 0.86,348 10.376,349 2.903,350 4.078,351 3.174,352 6.038,353 3.649,354 2.692,355 3.652,356 0.293,357 8.602,358 2.565,359 3.752,360 2.757,361 5.701,362 3.363,363 2.402,364 3.106,366 7.48,367 2.307,368 3.437,369 2.694,370 5.115,371 3.026,372 2.088,373 2.737,375 6.052,376 1.933,377 3.023,378 2.179,379 4.744,380 2.734,381 1.812,382 2.154,384 4.956,385 1.656,386 2.959,387 2.16,388 4.685,389 2.552,390 1.642,391 2.116,393 4.602,394 1.48,395 2.899,396 1.74,397 4.078,398 2.441,399 1.46,400 2.049,402 3.291,403 1.422,404 2.694,405 1.52,406 3.862,407 2.214,408 1.248,409 1.735,411 3.174,412 1.19,413 2.382,414 1.24,415 3.603,416 1.966,417 1.004,418 1.336,420 2.459,421 0.957,422 2.128,423 1.182,424 3.375,425 1.677,426 0.794,427 1.042,428 2.061,429 0.683,430 1.995,431 0.863,432 3.283,433 1.523,434 0.52,435 0.706,436 1.236,437 0.507,438 1.157,439 0.385,440 2.665,441 0.87,442 -0.064,443 -0.075,445 -0.159,446 -0.059,447 1.118,448 0.235,449 2.517,450 0.736,451 -0.176,452 -0.213,454 -0.399,455 -0.157,456 0.847,457 0.202,458 2.443,459 0.49,460 -0.441,461 -0.541,463 -1.143,464 -0.405,465 12.471,466 0.48,467 0.716,468 0.028,469 35,470 1.346,471 18.5,472 0.712,473 16.5,474 0.635,475 20.849,476 0.802,477 27.129,478 0.662,479 26.053,480 1.002,481 6.964,482 0.268,483 5.578,484 0.215,485 0.113,487 0.393,491 2,493 0.577,494 0.875,495 0.633,496 0.868,497 0.507,498 0.823,499 0.745,500 0.832,501 0.746,502 0.806,503 0.565,504 0.783,505 0.989,506 0.957,507 0.928,508 1.008,509 0.896,510 0.913,511 0.992,512 0.939,513 1.273,514 1.187,515 0.969,516 1.111,517 0.808,518 0.881,519 1.548,520 1.343,521 0.845,522 1.236,523 0.734,524 0.9,525 0.954,526 1.076,527 0.854,528 1.03,529 1.129,530 0.963,531 1.097,532 0.89,533 1.274,534 0.929,535 0.723,536 0.984,537 0.693,538 0.991,539 0.751,540 1.052,541 5,542 0.099,543 3.556,544 2.507,545 1.711,546 0.924,547 0.498,548 0.463,549 0.232,550 0.176,551 7737,552 25656,553 2.101,554 36.6,556 13,561 2,564 1.692,565 1.95,566 3.295,567 -0.76,573 70.618,574 1.722,575 3.561,576 4.461,577 5.095,578 5.144,579 5.144,580 2.719,581 4.393,582 4.675,583 3.421,584 1111.95,585 8.104,586 13420.5,588 1,591 219.66,592 1.46,593 4.624,594 0.172,595 0.006,596 0.085,597 0.053,598 0.041,599 0.027,600 0.017,601 0.017,602 0.01,603 0.008,604 0.437,605 0.67,606 0.88,607 0.596,608 125.564,609 -0.02,610 -0.046,611 0.051,612 0.011,613 -0.032,614 0.019,615 -0.028,616 0.023,617 0.096,618 0.124,619 0.017,620 0.106,621 -0.054,622 -0.004,623 0.041,624 -0.016,625 -0.044,626 0.007,627 -0.026,628 0.009,629 -0.14,630 -0.099,631 0.026,632 -0.167,633 0.021,634 0.022,635 -0.313,636 -0.187,637 0.031,638 -0.212,639 0.003,640 -0.149,641 0.102,642 -0.074,643 -0.013,644 0.022,645 0.057,646 0.094,647 -0.112,648 0.064,649 0.039,650 0.014,651 0.014,652 -0.175,653 0.091,654 -0.137,655 -0.002,656 -0.064,657 2.433,658 6.008,659 0.769,660 19.953,661 1.023,662 1.118,663 4.2,664 17.64,665 0.72,666 3.401,667 3.761,668 4.078,669 4.357,670 4.575,671 4.718,672 4.804,673 4.934,674 5.063,675 5.118,676 5.865,677 0.698,678 371.43,679 3.401,680 4.963,681 5.838,682 6.735,683 7.625,684 8.527,685 9.423,686 10.327,687 11.226,688 12.132,689 2.4,696 1,704 8,708 1,709 8,711 17,719 1,729 1,730 2,731 41,733 18,734 2,735 29,737 44,738 20,739 16,740 5,741 7,742 1,746 4,747 7,755 1,758 1,761 17,762 3,766 1,771 1,775 1,779 2,781 15,782 5,784 6,785 1,790 1,794 0.5,795 2,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,846 2,848 26,854 2,856 1,859 1,865 1,869 2,870 4.9,873 1,875 1,877 13.333,878 7.902,879 5.611,880 2.42,881 3.18,882 1.415,883 1.025,884 4.494,885 10.849,886 3.676,887 4.307,888 4.919,889 5.494,890 5.981,891 6.264,892 6.57,893 6.927,894 7.279,895 7.582,896 0.857,897 47,898 9.715,900 4.341,901 8.051,902 18.034,904 15.111,905 2.551,906 66.333,909 1,910 176.567,911 162.646,912 3.124,914 36.145,915 29.92,916 31.278,917 131.368,918 212.711,919 33.045,920 8.396,921 10.251,922 75.81,923 29.85,924 43.613,925 32.637,926 207.844,928 176.567,929 134.492,930 66.065,931 31.278,933 182.945,934 59.687,937 10.251,938 124.241,940 31.278,941 206.487,942 39.269,943 162.646,946 176.567,947 78.439,948 87.331,950 66.065,951 176.567,952 69.189,953 162.646,955 0.592,956 0.359,957 0.196,958 0.104,959 22,960 10,961 0.045,962 2,963 2,964 1.2,965 3.699,966 230.437,967 0.2,968 20,969 122.211,970 1,974 17.169,975 6.806,976 3.155,978 69.189,979 12.734,983 1.364,984 2.904,987 408.402,988 38.5,993 12.843,997 -0.327,999 41.927,1000 45.838,1001 0.321,1002 0.665,1003 0.833,1004 0.951,1005 0.96,1006 0.96,1007 4.929,1008 1.46,1009 5.844,1010 4.602,1011 4.443,1012 4.994,1013 1.679,1014 6.698,1015 4.332,1016 6.154,1017 1.248,1018 7.434,1019 3.291,1020 4.111,1021 4.844,1022 0.325,1023 7.673,1024 3.929,1025 7.476,1026 1.004,1027 9.126,1028 3.174,1029 6.08,1030 7.205,1031 1.728,1032 10.809,1033 5.872,1034 8.835,1035 0.794,1036 10.875,1037 2.459,1038 6.567,1039 7.87,1040 0.653,1041 12.6,1042 6.283,1043 10.226,1044 0.52,1045 12.662,1046 2.061,1047 8.017,1048 9.702,1049 1.872,1050 15.255,1051 7.709,1052 11.639,1053 -0.064,1054 14.474,1055 1.236,1056 8.868,1057 10.741,1058 1.001,1059 17.377,1060 8.485,1061 13.068,1062 -0.176,1063 16.304,1064 -0.159,1065 10.122,1066 12.353,1067 2.071,1068 19.862,1069 9.708,1070 3.22,1071 -0.441,1072 18.147,1073 -0.399,1074 11.136,1075 13.577,1076 1.37,1077 22.126,1078 10.652,1079 3.051,1080 11.062,1081 20,1082 -1.143,1083 12.318,1084 15.088,1085 2.309,1086 24.548,1087 11.793,1088 2.692,1089 10.376,1090 21.861,1091 4.256,1092 13.404,1093 16.406,1094 1.754,1095 26.875,1096 12.814,1097 2.402,1098 8.602,1099 23.729,1100 3.948,1101 14.56,1102 17.87,1103 2.576,1104 29.273,1105 13.923,1106 2.088,1107 7.48,1108 25.601,1109 3.652,1110 15.679,1111 19.239,1112 2.143,1113 31.631,1114 14.981,1115 1.812,1116 6.052,1117 27.478,1118 3.106,1119 16.828,1120 20.682,1121 2.865,1122 34.02,1123 16.078,1124 1.642,1125 4.956,1126 29.359,1127 2.737,1128 17.963,1129 22.078,1130 2.535,1131 36.392,1132 17.155,1133 7342,1134 13512,1135 19.304,1136 29.529,1137 44.66,1138 45.745,1139 46.193,1140 44.042,1141 43.866,1142 57.673,1143 4.706,1144 130.703,1145 41.293,1146 5.43,1147 5.738,1148 6.443,1149 5.319,1150 5.22,1151 7.256,1152 2.293,1153 18.483,1154 5.044,1155 12.664,1156 1.54,1157 1.577,1158 1.593,1159 1.519,1160 1.513,1161 1.989,1162 0.162,1163 4.507,1164 1.424,1165 4.054,1166 4.062,1167 4.29,1168 4.051,1169 8.211,1170 4.006,1171 3.921,1172 3.948,1173 3.894,1174 3.825,1175 8.191,1176 3.835,1177 3.734,1178 3.752,1179 3.768,1180 3.701,1181 7.428,1182 3.675,1183 3.46,1184 3.513,1185 3.363,1186 3.268,1187 4.884,1188 3.275,1189 3.288,1190 3.343,1191 3.273,1192 3.103,1193 4.54,1194 3.091,1195 2.919,1196 2.964,1197 2.879,1198 2.773,1199 4.462,1200 2.767,1201 2.903,1202 2.958,1203 2.796,1204 2.733,1205 4.32,1206 2.735,1207 2.835,1208 2.877,1209 2.784,1210 2.716,1211 3.961,1212 2.708,1213 0.157,1214 0.129,1215 0.233,1216 0.144,1217 0.111,1218 4.56,1219 0.147,1220 3.738,1221 0.041,1222 6.757,1223 0.381,1224 4.167,1225 0.105,1226 3.22,1227 4.256,1228 1.2,1229 11.062,1230 3.044,1231 1.896,1232 1.881,1233 1.985,1234 2.007,1235 1.159,1236 1.993,1237 1.88,1238 1.855,1239 1.961,1240 1.966,1241 1.08,1242 1.975,1243 1.661,1244 1.63,1245 1.84,1246 1.798,1247 1.056,1248 1.812,1249 1.481,1250 1.473,1251 1.638,1252 1.665,1253 0.729,1254 1.662,1255 1.19,1256 1.135,1257 1.417,1258 1.379,1259 0.573,1260 1.411,1261 1.142,1262 1.098,1263 1.212,1264 1.257,1265 0.502,1266 1.294,1267 0.861,1268 0.805,1269 1.125,1270 1.068,1271 0.185,1272 1.08,1273 0.852,1274 0.795,1275 1.116,1276 1.036,1277 0.158,1278 1.07,1279 4.078,1281 5.425,1282 2.398,1283 6.961,1284 4.844,1285 8.583,1286 7.034,1287 10.249,1289 1.487,1291 27.123,1295 1.235,1297 5.76,1300 1.211,1305 28.619,1306 70.618,1307 146.008,1308 182.905,1309 208.905,1310 210.905,1311 210.905,1312 55.904,1313 7.669,1314 29.54,1315 57.78,1316 24,1317 12.651,1318 4.248,1319 3.392,1320 38.009,1321 92,1322 94,1323 0.206,1324 175.011,1325 307.89,1326 418.787,1327 22695,1328 4.9,1329 18.259,1330 0.702,1331 0.568,1332 16.872,1333 14.777,1334 12.542,1335 0.432,1336 0.308,1337 8.067,1338 11.579,1339 7.822,1340 6.418,1341 12.145,1342 8.94,1343 11.572,1344 0.276,1345 0.168,1346 11.027,1347 7.072,1348 10.2,1349 0.176,1350 0.096,1351 10.295,1352 5.555,1353 8.577,1354 0.111,1355 0.055,1356 8.797,1357 4.243,1358 6.69,1359 0.07,1360 0.03,1361 7.202,1362 2.892,1363 0.317,1364 83.172,1365 0.228,1366 24.744,1367 0.581,1368 142,1369 542.199,1370 183.457,1371 488.792,1372 651.4,1373 456,1374 171,1375 450.669,1376 212.364,1377 459.427,1378 680.9,1379 433,1380 6}
{0 CHEMBL2322772,1 1.739,2 9.4,3 4.584,4 21.017,5 100.106,6 9.272,7 0.607,8 3.814,9 3.896,10 3.621,11 3.488,12 4.954,13 3.445,14 4.327,15 4.454,16 4.041,17 3.891,18 5.443,19 3.827,20 4.562,21 4.698,22 4.241,23 4.031,24 5.719,25 3.965,26 4.596,27 4.734,28 4.188,29 4.047,30 5.767,31 3.94,32 4.552,33 4.711,34 3.954,35 3.965,36 5.715,37 3.825,38 4.432,39 4.624,40 3.846,41 3.774,42 5.556,43 3.635,44 4.245,45 4.431,46 3.622,47 3.58,48 5.413,49 3.478,50 4.153,51 4.351,52 3.445,53 3.495,54 5.187,55 3.4,56 0.037,57 0.522,58 5.431,59 3.474,60 5.264,61 3.93,62 0.208,63 0.897,64 12.708,65 6.197,66 15.116,67 6.731,68 0.339,69 1.115,70 21.485,71 8.41,72 24.728,73 8.98,74 0.314,75 1.149,76 23.684,77 9.36,78 36.506,79 9.314,80 0.402,81 1.108,82 31.378,83 10.175,84 46.034,85 10.152,86 0.315,87 0.977,88 23.527,89 8.467,90 40.197,91 9.396,92 0.356,93 0.79,94 18.243,95 6.658,96 37.639,97 7.524,98 0.184,99 0.734,100 13.674,101 5.566,102 23.158,103 6.598,104 10,105 40,106 0.304,107 0.646,108 0.798,109 0.884,110 0.893,111 0.893,112 3.268,113 0.973,114 -4.4,115 -4.33,116 -4.08,119 47.5,121 1,124 1,125 1,142 7,143 1,144 3,145 1,146 1,152 2,158 1,172 6,174 1,175 4,183 6,186 1,187 12,195 4,199 8,207 4,212 5,220 6,223 2,224 1,232 8,236 2,237 2,245 6,250 3,258 4,263 4,271 2,275 815,276 17.052,277 17.052,278 17.052,279 17.052,280 17.052,281 14.922,282 15.614,283 9.97,284 17.587,285 13.795,286 13.795,287 13.795,288 13.795,289 13.795,290 10.506,291 15.921,292 4.698,293 14.73,294 3.583,295 1.633,296 0.76,297 0.269,298 0.219,299 0.219,300 3.966,301 1,304 1,305 1,306 517,307 3.082,310 39.099,311 129.794,312 56.287,315 81.96,316 95.205,318 1.424,319 23.509,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 53.333,331 235,332 4.559,333 3.737,334 6.757,335 4.159,336 3.219,337 4.256,338 1.2,339 11.061,340 3.019,341 4.329,342 3.278,343 6.609,344 3.98,345 3.037,346 3.877,347 0.86,348 10.354,349 2.854,350 4.051,351 3.118,352 6.025,353 3.601,354 2.66,355 3.635,356 0.293,357 8.553,358 2.485,359 3.697,360 2.735,361 5.691,362 3.301,363 2.337,364 3.036,366 7.407,367 2.238,368 3.067,369 2.194,370 4.903,371 2.724,372 1.815,373 2.247,375 5.07,376 1.636,377 3.021,378 2.172,379 4.72,380 2.677,381 1.754,382 2.147,384 4.925,385 1.609,386 2.905,387 1.741,388 4.068,389 2.421,390 1.46,391 2.077,393 3.222,394 1.397,395 2.859,396 1.576,397 3.859,398 2.351,399 1.414,400 2.008,402 3.166,403 1.253,404 2.647,405 1.52,406 3.614,407 2.149,408 1.181,409 1.659,411 2.904,412 1.125,413 2.372,414 1.183,415 3.591,416 1.92,417 0.98,418 1.318,420 2.415,421 0.913,422 2.128,423 1.028,424 3.363,425 1.671,426 0.793,427 1.042,428 2.061,429 0.678,430 1.922,431 0.863,432 3.19,433 1.459,434 0.457,435 0.617,436 1.063,437 0.442,438 1.157,439 0.336,440 2.661,441 0.857,442 -0.069,443 -0.081,445 -0.169,446 -0.063,447 1,448 0.202,449 2.507,450 0.531,451 -0.286,452 -0.343,454 -0.611,455 -0.189,456 0.847,457 -0.163,458 2.311,459 0.476,460 -0.441,461 -0.541,463 -1.143,464 -0.399,465 12.514,466 0.501,467 0.61,468 0.024,469 34.75,470 1.39,471 18.5,472 0.74,473 16.25,474 0.65,475 20.119,476 0.805,477 25.286,478 0.632,479 23.777,480 0.951,481 6.71,482 0.268,483 5.437,484 0.217,485 0.124,487 0.352,493 0.681,494 1.134,495 0.586,496 0.834,497 0.554,498 0.799,499 0.931,500 0.927,501 0.699,502 0.735,503 0.654,504 0.743,505 0.998,506 1.093,507 0.871,508 1.02,509 0.846,510 0.884,511 1.299,512 1.17,513 1.2,514 1.167,515 1.504,516 1.083,517 1.152,518 1.059,519 1.628,520 1.43,521 1.21,522 1.204,523 0.9,524 1.003,525 0.827,526 1.006,527 1.447,528 1.053,529 0.937,530 0.951,531 0.969,532 0.925,533 1.333,534 0.931,535 0.95,536 0.979,537 0.778,538 0.854,539 0.985,540 0.975,541 4,542 0.058,543 3.333,544 2.319,545 1.519,546 0.813,547 0.418,548 0.4,549 0.213,550 0.12,551 6954,552 21123,553 2.13,554 37.5,556 12,558 1,561 2,564 1.682,565 2,566 3.219,567 -0.751,573 69.563,574 1.739,575 3.689,576 4.562,577 5.053,578 5.103,579 5.103,580 2.649,581 4.404,582 4.619,583 3.342,584 1002.58,585 7.995,586 11753.1,588 1,591 212.877,592 1.388,593 4.579,594 0.143,595 0.004,596 0.083,597 0.052,598 0.038,599 0.025,600 0.015,601 0.016,602 0.01,603 0.006,604 0.392,605 0.33,606 1,607 0.553,608 118.749,609 -0.023,610 -0.135,611 0.039,612 -0.014,613 -0.041,614 0.003,615 -0.039,616 0.116,617 0.077,618 0.165,619 -0.01,620 0.117,621 0.056,622 -0.081,623 0.078,624 -0.044,625 0.048,626 0.024,627 -0.181,628 -0.151,629 -0.119,630 -0.115,631 -0.166,632 -0.158,633 -0.128,634 -0.037,635 -0.351,636 -0.26,637 -0.037,638 -0.206,639 0.047,640 -0.024,641 0.097,642 0.012,643 -0.036,644 -0.044,645 0.139,646 0.025,647 -0.01,648 0.047,649 0.055,650 0.057,651 -0.097,652 -0.002,653 -0.015,654 0.001,655 -0.063,656 -0.01,657 1.746,658 5.939,659 0.8,660 18.496,661 1.011,662 1.105,663 3.169,664 10.044,665 0.744,666 3.367,667 3.714,668 4.043,669 4.317,670 4.533,671 4.654,672 4.771,673 4.905,674 5.037,675 5.069,676 5.619,677 0.704,678 370.88,679 3.367,680 4.92,681 5.796,682 6.688,683 7.58,684 8.479,685 9.376,686 10.278,687 11.178,688 12.082,689 5,696 1,699 1,704 8,705 1,708 1,709 7,711 17,719 1,729 1,730 1,731 40,733 18,734 1,735 28,737 43,738 19,739 15,740 2,741 4,742 1,746 4,747 7,748 1,755 1,758 1,761 16,762 3,766 1,771 1,775 1,778 1,781 15,782 4,784 6,785 2,790 2,794 0.5,795 2,805 1,811 1,812 2,813 1,816 1,817 1,840 2,842 1,844 1,845 1,848 25,854 2,856 1,859 1,865 1,869 1,870 5,873 1,875 1,877 12.5,878 7.71,879 5.444,880 2.362,881 3.162,882 1.417,883 1.018,884 4.484,885 10.743,886 3.651,887 4.266,888 4.886,889 5.457,890 5.938,891 6.198,892 6.542,893 6.907,894 7.258,895 7.543,896 1,897 45,898 9.243,900 3.995,901 7.731,902 17.622,904 14.658,905 2.231,906 55.778,909 1,910 176.567,911 147.047,912 19.91,913 39.149,914 36.145,916 31.278,917 115.769,918 251.86,919 19.91,920 8.396,921 10.251,922 66.334,923 58.406,924 37.49,925 2.717,926 196.073,927 39.149,928 176.567,929 135.679,930 36.145,931 70.426,933 153.024,934 59.687,937 22.055,938 96.838,939 55.934,940 31.278,941 176.567,942 56.055,943 186.195,946 176.567,947 63.269,948 86.902,950 92.079,951 176.567,952 56.055,953 186.195,955 0.587,956 0.361,957 0.198,958 0.104,959 21,960 9,961 0.047,962 2,963 2,964 1.2,965 3.638,966 218.587,967 0.2,968 20,969 116.096,970 1,974 16.553,975 6.773,976 3.048,978 56.055,979 14.79,980 4.45,983 1.452,984 5.589,987 418.817,988 37.5,993 12.939,997 -0.079,999 40.444,1000 44.186,1001 0.327,1002 0.693,1003 0.857,1004 0.949,1005 0.959,1006 0.959,1007 4.892,1008 1.414,1009 5.79,1010 3.222,1011 4.394,1012 4.952,1013 1.679,1014 6.642,1015 4.264,1016 6.106,1017 1.181,1018 7.377,1019 3.166,1020 4.007,1021 4.732,1022 0.325,1023 7.621,1024 3.79,1025 7.421,1026 0.98,1027 9.069,1028 2.904,1029 6.023,1030 7.15,1031 1.728,1032 10.768,1033 5.777,1034 8.775,1035 0.793,1036 10.823,1037 2.415,1038 6.494,1039 7.782,1040 0.653,1041 12.576,1042 6.155,1043 10.164,1044 0.457,1045 12.615,1046 2.061,1047 7.965,1048 9.643,1049 1.872,1050 15.23,1051 7.597,1052 11.576,1053 -0.069,1054 14.432,1055 1.063,1056 8.813,1057 10.667,1058 1.001,1059 17.361,1060 8.355,1061 13.007,1062 -0.286,1063 16.268,1064 -0.169,1065 10.077,1066 12.293,1067 2.071,1068 19.846,1069 9.581,1070 3.219,1071 -0.441,1072 18.116,1073 -0.611,1074 11.092,1075 13.509,1076 1.37,1077 22.113,1078 10.513,1079 3.037,1080 11.061,1081 19.974,1082 -1.143,1083 12.277,1084 15.026,1085 2.309,1086 24.535,1087 11.651,1088 2.66,1089 10.354,1090 21.839,1091 4.256,1092 13.365,1093 16.34,1094 1.754,1095 26.864,1096 12.662,1097 2.337,1098 8.553,1099 23.709,1100 3.877,1101 14.523,1102 17.807,1103 2.576,1104 29.261,1105 13.765,1106 1.815,1107 7.407,1108 25.584,1109 3.635,1110 15.643,1111 19.173,1112 2.143,1113 31.619,1114 14.815,1115 1.754,1116 5.07,1117 27.463,1118 3.036,1119 16.793,1120 20.618,1121 2.865,1122 34.008,1123 15.905,1124 1.46,1125 4.925,1126 29.345,1127 2.247,1128 17.928,1129 22.013,1130 2.535,1131 36.381,1132 16.973,1133 6568,1134 11577,1135 18.898,1136 29.756,1137 42.971,1138 43.943,1139 44.209,1140 42.455,1141 42.216,1142 55.838,1143 4.706,1144 124.4,1145 39.301,1146 5.43,1147 5.737,1148 6.443,1149 5.312,1150 5.219,1151 7.256,1152 2.293,1153 18.469,1154 5.019,1155 10.462,1156 1.535,1157 1.569,1158 1.579,1159 1.516,1160 1.508,1161 1.994,1162 0.168,1163 4.443,1164 1.404,1165 4.042,1166 4.053,1167 4.289,1168 4.03,1169 7.428,1170 3.984,1171 3.905,1172 3.931,1173 4.004,1174 3.84,1175 4.973,1176 3.834,1177 3.716,1178 3.739,1179 3.753,1180 3.646,1181 4.928,1182 3.635,1183 3.451,1184 3.507,1185 3.374,1186 3.264,1187 4.499,1188 3.269,1189 3.279,1190 3.338,1191 3.295,1192 3.099,1193 4.382,1194 3.082,1195 2.894,1196 2.936,1197 3.247,1198 2.801,1199 4.345,1200 2.772,1201 2.879,1202 2.922,1203 2.795,1204 2.749,1205 4.027,1206 2.74,1207 2.831,1208 2.869,1209 2.758,1210 2.629,1211 3.746,1212 2.651,1213 0.163,1214 0.133,1215 0.241,1216 0.149,1217 0.115,1218 4.559,1219 0.152,1220 3.737,1221 0.043,1222 6.757,1223 0.395,1224 4.159,1225 0.108,1226 3.219,1227 4.256,1228 1.2,1229 11.061,1230 3.019,1231 1.891,1232 1.867,1233 1.981,1234 1.99,1235 1.14,1236 1.994,1237 1.829,1238 1.807,1239 1.906,1240 1.949,1241 1.084,1242 1.94,1243 1.662,1244 1.63,1245 1.84,1246 1.796,1247 0.973,1248 1.812,1249 1.484,1250 1.474,1251 1.649,1252 1.662,1253 0.739,1254 1.667,1255 1.192,1256 1.137,1257 1.416,1258 1.377,1259 0.574,1260 1.41,1261 1.141,1262 1.096,1263 1.205,1264 1.257,1265 0.501,1266 1.294,1267 0.869,1268 0.824,1269 1.125,1270 1.025,1271 0.187,1272 1.069,1273 0.77,1274 0.707,1275 0.968,1276 0.946,1277 0.102,1278 0.974,1279 4.043,1281 5.38,1282 2.398,1283 6.913,1284 4.844,1285 8.532,1286 7.034,1287 10.195,1289 1.74,1290 6.223,1295 1.335,1297 5.753,1300 1.587,1305 28.175,1306 69.563,1307 147.574,1308 182.471,1309 202.122,1310 204.122,1311 204.122,1312 38.371,1313 7.581,1314 42.43,1315 70.67,1316 24,1317 12.602,1318 4.248,1319 3.392,1320 35.855,1321 85,1322 76,1323 0.211,1324 178.15,1325 304.66,1326 426.445,1327 20344,1328 2.5,1329 17.389,1330 0.696,1331 0.604,1332 18.242,1333 15.103,1334 12.148,1335 0.434,1336 0.324,1337 7.892,1338 11.059,1339 7.588,1340 6.246,1341 12.845,1342 9.078,1343 10.939,1344 0.273,1345 0.18,1346 11.925,1347 7.189,1348 9.88,1349 0.176,1350 0.101,1351 11.113,1352 5.645,1353 8.233,1354 0.111,1355 0.058,1356 9.561,1357 4.317,1358 6.552,1359 0.071,1360 0.031,1361 7.643,1362 2.859,1363 0.324,1364 82.707,1365 0.23,1366 23.874,1367 0.601,1368 136,1369 407.825,1370 187.035,1371 443.749,1372 602.39,1373 416,1374 164,1375 407.33,1376 213.232,1377 437.971,1378 649.84,1379 413,1380 6}
{0 CHEMBL2322773,1 1.71,2 9.385,3 5.387,4 29.024,5 106.942,6 9.497,7 0.733,8 3.837,9 3.921,10 3.672,11 3.535,12 4.972,13 3.495,14 4.338,15 4.45,16 4.09,17 3.955,18 5.424,19 3.892,20 4.569,21 4.715,22 4.229,23 4.084,24 5.604,25 4.002,26 4.583,27 4.723,28 4.26,29 4.118,30 5.637,31 4.003,32 4.543,33 4.705,34 4.059,35 4.014,36 5.598,37 3.894,38 4.412,39 4.619,40 3.89,41 3.811,42 5.378,43 3.683,44 4.274,45 4.476,46 3.692,47 3.65,48 5.298,49 3.558,50 4.13,51 4.308,52 3.543,53 3.543,54 5.177,55 3.467,56 0.047,57 0.542,58 4.901,59 3.188,60 6.046,61 3.639,62 0.155,63 0.915,64 10.553,65 5.776,66 11.587,67 6.279,68 0.254,69 1.135,70 20.457,71 8.356,72 19.128,73 9.127,74 0.236,75 1.196,76 23.764,77 9.176,78 18.777,79 9.258,80 0.288,81 1.143,82 24.972,83 8.964,84 26.026,85 9.364,86 0.196,87 1.055,88 21.917,89 7.675,90 19.005,91 8.552,92 0.293,93 0.92,94 17.449,95 6.128,96 20.827,97 6.779,98 0.174,99 0.747,100 11.286,101 4.873,102 14.983,103 5.647,104 2,105 43,106 0.296,107 0.602,108 0.745,109 0.869,110 0.903,111 0.903,112 3.306,113 0.951,114 -6.58,115 -6.4,116 -5.94,119 50,121 1,125 1,142 9,143 2,144 3,152 2,160 1,161 1,166 1,172 9,174 2,175 4,183 12,187 10,195 10,199 10,207 8,212 11,220 8,224 6,232 8,236 2,237 5,245 7,249 1,250 4,258 8,263 2,271 7,275 900,276 18.206,277 18.206,278 18.206,279 18.206,280 18.206,281 15.624,282 13.803,283 10.747,284 18.763,285 14.852,286 14.852,287 14.852,288 14.852,289 14.852,290 10.981,291 11.192,292 5.087,293 15.867,294 3.612,295 1.844,296 1.013,297 0.3,298 0.1,299 0.1,300 4.022,301 1,304 1,305 1,306 552,307 2.121,310 92.008,311 121.186,312 54.743,315 77.829,316 92.618,318 1.385,319 15.024,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 54.833,331 244,332 4.605,333 3.372,334 6.821,335 4.181,336 3.248,337 4.338,338 0.86,339 11.309,340 3.036,341 4.431,342 3.269,343 6.677,344 4.02,345 3.079,346 4.102,348 10.778,349 2.879,350 4.057,351 2.898,352 6.067,353 3.61,354 2.673,355 3.653,357 8.691,358 2.494,359 3.801,360 2.652,361 5.726,362 3.342,363 2.395,364 3.34,366 7.605,367 2.253,368 3.206,369 2.178,370 5.023,371 2.763,372 1.845,373 2.453,375 5.468,376 1.678,377 3.021,378 2.054,379 4.723,380 2.73,381 1.805,382 2.148,384 4.945,385 1.656,386 2.907,387 1.641,388 4.193,389 2.444,390 1.461,391 2.084,393 3.582,394 1.431,395 2.875,396 1.524,397 3.866,398 2.378,399 1.414,400 2.043,402 3.181,403 1.354,404 2.829,405 1.436,406 3.687,407 2.328,408 1.401,409 1.963,411 2.989,412 1.229,413 2.447,414 1.196,415 3.598,416 2.013,417 1.054,418 1.427,420 2.562,421 1.003,422 2.3,423 0.932,424 3.546,425 1.776,426 0.819,427 1.204,428 2.064,429 0.778,430 2.221,431 0.828,432 3.385,433 1.68,434 0.801,435 1.087,436 2.029,437 0.685,438 2.125,439 0.741,440 3.349,441 1.65,442 0.734,443 1.041,445 1.943,446 0.669,447 1.163,448 0.306,449 2.67,450 0.875,451 -0.056,452 -0.066,454 -0.138,455 -0.051,456 1.096,457 0.172,458 2.524,459 0.614,460 -0.214,461 -0.268,463 -0.476,464 -0.144,465 13.081,466 0.503,467 0.534,468 0.021,469 37.5,470 1.442,471 20.5,472 0.788,473 17,474 0.654,475 20.244,476 0.779,477 25.319,478 0.633,479 24.58,480 0.945,481 7.199,482 0.277,483 5.611,484 0.216,485 0.055,487 0.336,493 0.686,494 0.983,495 0.567,496 0.774,497 0.61,498 0.743,499 0.975,500 0.907,501 0.714,502 0.793,503 0.822,504 0.809,505 1.071,506 1.019,507 0.892,508 0.968,509 0.896,510 0.876,511 1.119,512 1.185,513 1.26,514 1.242,515 0.986,516 1.052,517 0.965,518 1.174,519 1.332,520 1.295,521 1.018,522 1.146,523 0.787,524 1.138,525 0.817,526 0.977,527 0.862,528 1.001,529 0.983,530 0.911,531 0.995,532 0.85,533 1.071,534 0.879,535 0.972,536 0.977,537 0.8,538 0.883,539 0.954,540 1,541 3.5,542 0.058,543 3.111,544 1.875,545 1.369,546 0.779,547 0.321,548 0.332,549 0.178,550 0.111,551 8025,552 22964,553 2.241,554 35,556 11,558 1,561 2,564 1.694,565 2.167,566 3.217,567 -0.76,573 68.381,574 1.71,575 3.478,576 4.309,577 5.022,578 5.222,579 5.222,580 2.643,581 4.47,582 4.676,583 3.337,584 1084.48,585 8.116,586 12937.2,591 212.877,592 1.142,593 4.66,594 0.117,595 0.004,596 0.072,597 0.041,598 0.031,599 0.02,600 0.011,601 0.012,602 0.007,603 0.006,604 0.321,605 0.33,606 0.75,607 0.362,608 124.588,609 0.051,610 -0.01,611 0.041,612 0.007,613 0.029,614 0.013,615 -0.027,616 0.087,617 0.028,618 0.076,619 -0.06,620 0.011,621 -0.012,622 -0.053,623 0.065,624 0.022,625 0.014,626 0.058,627 -0.111,628 -0.161,629 -0.094,630 -0.127,631 -0.042,632 -0.108,633 -0.043,634 -0.15,635 -0.205,636 -0.222,637 -0.02,638 -0.178,639 -0.033,640 -0.077,641 0.111,642 0.031,643 -0.017,644 0.007,645 0.022,646 0.185,647 -0.054,648 0.093,649 -0.043,650 0.083,651 -0.013,652 0.022,653 -0.063,654 -0.052,655 -0.006,656 -0.083,657 0.995,658 2.385,659 0.962,660 19.154,661 1.008,662 1.101,663 5.348,664 28.603,665 0.764,666 3.434,667 3.784,668 4.143,669 4.477,670 4.7,671 4.868,672 5.03,673 5.209,674 5.371,675 5.442,676 5.605,677 0.724,678 379.89,679 3.434,680 4.99,681 5.878,682 6.781,683 7.685,684 8.595,685 9.505,686 10.418,687 11.331,688 12.246,689 7.5,697 1,699 2,704 10,705 2,708 1,709 8,710 1,711 22,729 1,730 1,731 40,733 22,734 2,735 30,737 44,738 20,739 18,740 4,741 8,746 5,747 8,748 1,755 1,758 1,761 18,762 2,781 14,782 3,784 6,785 2,790 3,794 0.6,795 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,845 1,848 26,854 2,856 1,865 1,867 1,869 1,870 2.5,875 1,877 12,878 7.41,879 5.611,880 2.422,881 4.36,882 1.535,883 1.064,884 4.026,885 12.51,886 3.738,887 4.388,888 5.055,889 5.704,890 6.188,891 6.579,892 7.04,893 7.494,894 7.916,895 8.264,896 1,897 46,898 9.56,900 4.154,901 7.568,902 18.529,904 15.746,905 2.068,906 53.778,910 164.795,911 155.226,912 35.225,913 39.149,914 11,916 31.278,917 123.948,918 214.944,919 35.225,921 7.127,922 85.286,923 56.044,924 30.771,925 2.717,926 184.302,927 39.149,928 164.795,929 159.173,930 11,931 70.426,933 141.253,934 34.542,937 19.973,938 105.875,939 72.475,940 31.278,941 164.795,942 46.225,943 194.375,946 164.795,947 61.321,948 95.804,950 83.475,951 164.795,952 46.225,953 194.375,955 0.582,956 0.358,957 0.21,958 0.111,959 24,960 9,961 0.045,962 2,963 2,964 1.16,965 3.792,966 240.866,967 0.16,968 25,969 120.211,970 1,974 16.038,975 6.527,976 2.773,978 44.326,979 19.808,980 8.482,983 1.717,984 8.017,985 1.94,987 405.395,988 41,999 40.334,1000 44.06,1001 0.321,1002 0.654,1003 0.81,1004 0.944,1005 0.981,1006 0.981,1007 4.973,1008 1.414,1009 5.861,1010 3.582,1011 4.466,1012 5.075,1013 0.908,1014 6.723,1015 4.333,1016 6.191,1017 1.401,1018 7.442,1019 3.181,1020 4.007,1021 4.808,1023 7.711,1024 3.767,1025 7.508,1026 1.054,1027 9.131,1028 2.989,1029 6.094,1030 7.313,1031 0.739,1032 10.877,1033 5.838,1034 8.868,1035 0.819,1036 10.884,1037 2.562,1038 6.538,1039 7.954,1041 12.73,1042 6.168,1043 10.264,1044 0.801,1045 12.68,1046 2.064,1047 8.041,1048 9.846,1049 0.593,1050 15.391,1051 7.655,1052 11.686,1053 0.734,1054 14.503,1055 2.029,1056 8.885,1057 10.902,1059 17.569,1060 8.392,1061 13.128,1062 -0.056,1063 16.345,1064 1.943,1065 10.166,1066 12.541,1067 0.469,1068 20.064,1069 9.642,1070 3.248,1071 -0.214,1072 18.201,1073 -0.138,1074 11.186,1075 13.794,1077 22.373,1078 10.567,1079 3.079,1080 11.309,1081 20.068,1082 -0.476,1083 12.384,1084 15.322,1085 0.366,1086 24.811,1087 11.72,1088 2.673,1089 10.778,1090 21.942,1091 4.338,1092 13.48,1093 16.67,1095 27.175,1096 12.732,1097 2.395,1098 8.691,1099 23.821,1100 4.102,1101 14.648,1102 18.15,1103 0.283,1104 29.593,1105 13.845,1106 1.845,1107 7.605,1108 25.706,1109 3.653,1110 15.777,1111 19.547,1113 31.981,1114 14.898,1115 1.805,1116 5.468,1117 27.594,1118 3.34,1119 16.936,1120 21.007,1121 0.217,1122 34.393,1123 15.997,1124 1.461,1125 4.945,1126 29.486,1127 2.453,1128 18.082,1129 22.428,1131 36.793,1132 17.07,1133 7339,1134 12570,1135 20.978,1136 30.546,1137 46.118,1138 46.034,1139 46.787,1140 45.651,1141 45.458,1142 61.762,1143 1.72,1144 134.294,1145 42.29,1146 5.474,1147 5.372,1148 6.507,1149 5.34,1150 5.248,1151 7.338,1152 1.72,1153 18.723,1154 5.036,1155 6.419,1156 1.537,1157 1.534,1158 1.56,1159 1.522,1160 1.515,1161 2.059,1162 0.057,1163 4.476,1164 1.41,1165 4.088,1166 4.114,1167 4.304,1168 4.064,1169 5.127,1170 4.025,1171 3.949,1172 3.975,1173 4.033,1174 3.867,1175 4.885,1176 3.867,1177 3.752,1178 3.781,1179 3.786,1180 3.707,1181 4.869,1182 3.684,1183 3.594,1184 3.647,1185 3.626,1186 3.413,1187 4.458,1188 3.44,1189 3.316,1190 3.354,1191 3.298,1192 3.168,1193 4.338,1194 3.139,1195 2.88,1196 2.922,1197 3.284,1198 2.802,1199 4.319,1200 2.774,1201 2.843,1202 2.9,1203 2.795,1204 2.744,1205 3.719,1206 2.733,1207 2.829,1208 2.868,1209 2.715,1210 2.716,1211 3.624,1212 2.704,1213 0.153,1214 0.112,1215 0.227,1216 0.139,1217 0.108,1218 4.605,1219 0.145,1220 3.372,1221 0.029,1222 6.821,1223 0.377,1224 4.181,1225 0.101,1226 3.248,1227 4.338,1228 0.86,1229 11.309,1230 3.036,1231 1.905,1232 1.884,1233 1.986,1234 1.999,1235 1.16,1236 2.001,1237 1.895,1238 1.876,1239 1.983,1240 1.966,1241 1.102,1242 1.976,1243 1.661,1244 1.627,1245 1.84,1246 1.794,1247 1.07,1248 1.811,1249 1.474,1250 1.46,1251 1.521,1252 1.602,1253 0.738,1254 1.603,1255 1.207,1256 1.147,1257 1.361,1258 1.479,1259 0.508,1260 1.441,1261 1.143,1262 1.107,1263 1.22,1264 1.292,1265 0.383,1266 1.306,1267 0.881,1268 0.824,1269 1.13,1270 1.064,1271 0.185,1272 1.094,1273 0.867,1274 0.819,1275 1.115,1276 1.023,1277 0.171,1278 1.065,1279 4.111,1281 5.451,1282 3.045,1283 6.986,1284 5.416,1285 8.611,1286 7.535,1287 10.284,1290 6.375,1295 1.554,1297 5.885,1305 28.954,1306 68.381,1307 139.129,1308 172.348,1309 200.877,1310 208.877,1311 208.877,1312 29.363,1313 8.15,1314 39.94,1315 68.18,1316 29,1317 12.758,1318 4.524,1319 3.585,1320 33.784,1321 88,1322 79,1323 0.191,1324 180.219,1325 298.27,1326 431.495,1327 41984,1328 2.5,1329 17.51,1330 0.673,1331 0.588,1332 18.363,1333 15.296,1334 12.81,1335 0.427,1336 0.317,1337 8.328,1338 11.725,1339 8.07,1340 6.619,1341 13.507,1342 9.507,1343 11.479,1344 0.267,1345 0.174,1346 12.465,1347 7.495,1348 10.412,1349 0.168,1350 0.096,1351 11.61,1352 5.976,1353 9.324,1354 0.107,1355 0.054,1356 10.642,1357 4.679,1358 7.496,1359 0.069,1360 0.03,1361 8.694,1362 3.26,1363 0.292,1364 86.516,1365 0.218,1366 24.558,1367 0.551,1368 146,1369 405.735,1370 196.652,1371 447.707,1372 622.58,1373 422,1374 178,1375 440.043,1376 226.599,1377 470.208,1378 697.93,1379 445,1380 7.131}
{0 CHEMBL2322774,1 1.804,2 10.759,3 4.39,4 19.269,5 115.522,6 9.612,7 0.667,8 3.934,9 4.023,10 3.76,11 3.596,12 5.137,13 3.571,14 4.424,15 4.534,16 4.187,17 4.02,18 5.628,19 3.972,20 4.663,21 4.796,22 4.331,23 4.165,24 5.813,25 4.101,26 4.713,27 4.85,28 4.367,29 4.206,30 5.87,31 4.111,32 4.696,33 4.862,34 4.192,35 4.106,36 5.854,37 4.004,38 4.542,39 4.732,40 4.074,41 3.942,42 5.586,43 3.839,44 4.479,45 4.655,46 3.999,47 3.839,48 5.656,49 3.772,50 4.398,51 4.583,52 3.733,53 3.732,54 5.536,55 3.654,56 0.102,57 0.641,58 5.249,59 3.537,60 11.032,61 3.696,62 0.262,63 1.031,64 11.127,65 6.408,66 26.281,67 6.737,68 0.377,69 1.263,70 20.578,71 8.934,72 32.804,73 9.211,74 0.371,75 1.382,76 24.833,77 10.104,78 34.73,79 9.781,80 0.556,81 1.327,82 28.418,83 10.279,84 51.042,85 10.711,86 0.32,87 1.179,88 22.235,89 8.311,90 29.061,91 8.953,92 0.442,93 1.125,94 20.268,95 7.212,96 39.456,97 7.155,98 0.331,99 0.987,100 17.558,101 6.947,102 34.755,103 7.4,104 11,105 48,106 0.305,107 0.661,108 0.793,109 0.886,110 0.901,111 0.901,112 3.409,113 0.924,114 -5.57,115 -5.44,116 -5.08,119 47.7,121 1,125 1,142 8,143 3,144 3,152 2,158 1,160 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 5,177 1,178 1,180 1,183 12,185 1,187 12,192 2,195 10,197 2,199 11,204 1,207 8,209 1,211 1,212 12,214 1,215 1,217 1,220 8,222 1,224 6,232 8,236 2,237 8,242 3,245 7,247 3,249 1,250 5,255 1,258 8,260 1,263 2,271 7,275 1209,276 19.861,277 19.861,278 19.861,279 19.861,280 19.861,281 17.162,282 16.627,283 11.526,284 20.397,285 16.303,286 16.303,287 16.303,288 16.303,289 16.303,290 12.155,291 13.543,292 5.44,293 17.281,294 3.656,295 1.557,296 0.773,297 0.227,298 0.136,299 0.136,300 4.12,301 1,304 1,305 1,306 693,307 2.828,310 109.409,311 137.892,312 64.386,315 92.544,316 107.149,318 1.646,319 26.25,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 62.333,331 312,332 4.61,333 3.514,334 6.822,335 4.19,336 3.253,337 4.346,338 0.98,339 11.317,340 3.062,341 4.451,342 3.368,343 6.684,344 4.04,345 3.095,346 4.13,347 0.86,348 10.807,349 2.903,350 4.164,351 3.259,352 6.097,353 3.758,354 2.783,355 3.774,357 8.842,358 2.714,359 3.937,360 2.896,361 5.937,362 3.524,363 2.57,364 3.45,366 8.214,367 2.42,368 3.693,369 2.655,370 5.646,371 3.269,372 2.308,373 3.089,375 7.295,376 2.204,377 3.189,378 2.186,379 5.021,380 2.76,381 1.839,382 2.416,384 5.457,385 1.673,386 3.021,387 2.054,388 4.721,389 2.721,390 1.8,391 2.148,393 4.938,394 1.642,395 2.877,396 1.878,397 4.194,398 2.379,399 1.414,400 2.048,402 3.584,403 1.357,404 2.83,405 1.641,406 3.901,407 2.328,408 1.401,409 1.964,411 3.094,412 1.29,413 2.795,414 1.438,415 3.777,416 2.302,417 1.293,418 1.829,420 2.988,421 1.229,422 2.461,423 1.198,424 3.675,425 2.016,426 1.05,427 1.426,428 2.629,429 1.005,430 2.301,431 1.007,432 3.553,433 1.776,434 0.821,435 1.204,436 2.114,437 0.778,438 2.229,439 0.831,440 3.398,441 1.702,442 0.807,443 1.096,445 2.038,446 0.704,447 2.126,448 0.766,449 3.375,450 1.65,451 0.743,452 1.044,454 1.957,455 0.669,456 1.19,457 0.306,458 2.76,459 0.884,460 -0.051,461 -0.059,463 -0.13,464 -0.047,465 14.314,466 0.494,467 0.73,468 0.025,469 41,470 1.414,471 22,472 0.759,473 19,474 0.655,475 23.64,476 0.815,477 28.886,478 0.656,479 29.784,480 1.027,481 7.963,482 0.275,483 6.151,484 0.212,485 0.101,487 0.377,493 0.725,494 0.956,495 0.583,496 0.747,497 0.666,498 0.717,499 0.805,500 0.881,501 0.69,502 0.782,503 0.53,504 0.785,505 1.051,506 1.041,507 0.917,508 0.993,509 0.871,510 0.913,511 1.071,512 1.195,513 1.251,514 1.257,515 0.954,516 1.098,517 0.826,518 1.074,519 1.255,520 1.213,521 0.727,522 1.101,523 0.853,524 1.097,525 0.773,526 0.919,527 0.689,528 0.971,529 1.084,530 1.034,531 1.053,532 1.007,533 1.31,534 0.949,535 1.037,536 1.02,537 0.99,538 1.04,539 1.12,540 1.072,541 5,542 0.128,543 3.778,544 2.188,545 1.801,546 1.115,547 0.509,548 0.5,549 0.281,550 0.182,551 10662,552 34232,553 2.171,554 34.1,556 10,558 1,559 2,561 2,564 1.721,565 2.047,566 3.389,567 0.262,569 1,573 79.373,574 1.804,575 3.902,576 4.687,577 5.232,578 5.323,579 5.323,580 2.879,581 4.582,582 4.829,583 3.541,584 1437.45,585 8.421,586 18645,588 1,590 1,591 240.215,592 1.361,593 4.797,594 0.152,595 0.006,596 0.079,597 0.042,598 0.036,599 0.025,600 0.014,601 0.014,602 0.009,603 0.008,604 0.384,605 0.33,606 0.75,607 0.674,608 145.244,609 -0.033,610 0.077,611 0.025,612 0.063,613 -0.081,614 0.053,615 0.028,616 0.125,617 0.053,618 0.114,619 0.098,620 0.057,621 -0.08,622 -0.078,623 0.02,624 -0.002,625 -0.041,626 0.015,627 -0.144,628 -0.174,629 -0.126,630 -0.151,631 -0.104,632 -0.15,633 0.095,634 -0.072,635 -0.143,636 -0.131,637 0.065,638 -0.1,639 -0.069,640 -0.075,641 0.135,642 0.076,643 -0.029,644 0.03,645 -0.063,646 0.048,647 -0.068,648 -0.017,649 -0.162,650 -0.009,651 -0.096,652 -0.027,653 -0.132,654 -0.098,655 -0.096,656 -0.093,657 2.138,658 4.518,659 0.862,660 25.313,661 1.017,662 1.108,663 4.341,664 18.843,665 0.75,666 3.526,667 3.892,668 4.234,669 4.554,670 4.796,671 4.997,672 5.176,673 5.347,674 5.533,675 5.642,676 6.292,677 0.72,678 422.92,679 3.526,680 5.094,681 5.979,682 6.884,683 7.788,684 8.699,685 9.609,686 10.524,687 11.438,688 12.354,689 9.1,696 1,697 1,699 2,704 9,705 2,708 1,709 9,710 1,711 22,717 1,729 1,730 1,731 44,733 23,734 2,735 33,737 48,738 21,739 18,740 5,741 7,742 1,746 5,747 8,748 1,755 1,758 1,761 19,762 2,766 1,771 1,775 1,778 1,781 15,782 5,783 2,784 8,785 2,790 4,794 0.6,795 2,811 2,812 2,813 1,816 1,817 1,840 3,842 1,845 1,848 29,849 1,854 2,856 1,865 1,867 1,869 1,870 4.5,873 1,875 1,877 14.167,878 8.076,879 6.222,880 2.553,881 4.442,882 1.528,883 1.053,884 4.703,885 12.861,886 3.829,887 4.483,888 5.137,889 5.776,890 6.279,891 6.709,892 7.183,893 7.612,894 8.056,895 8.437,896 1,897 52,898 10.667,900 4.678,901 7.78,902 20.249,904 17.122,905 2.28,906 66.111,909 1,910 153.024,911 153.64,912 68.122,913 39.149,914 36.145,916 31.278,917 122.362,918 228.318,919 68.122,921 40.024,922 75.81,923 85.893,924 33.956,925 2.717,926 172.531,927 39.149,928 153.024,929 190.485,930 36.145,931 70.426,933 129.482,934 59.687,937 52.87,938 104.289,939 72.475,940 31.278,941 153.024,942 104.267,943 192.789,946 153.024,947 69.211,948 86.328,950 141.517,951 153.024,952 104.267,953 192.789,955 0.59,956 0.357,957 0.199,958 0.107,959 26,960 11,961 0.063,962 3,963 2,964 1.16,965 3.985,966 277.526,967 0.16,968 25,969 140.881,970 1,974 18.493,975 7.375,976 3.272,978 102.368,979 16.702,980 8.437,983 1.615,984 7.483,985 1.89,986 32.897,987 450.08,988 45,993 11.518,997 -0.472,999 44.764,1000 48.767,1001 0.33,1002 0.715,1003 0.858,1004 0.958,1005 0.975,1006 0.975,1007 5.078,1008 1.414,1009 5.979,1010 4.938,1011 4.575,1012 5.17,1013 1.481,1014 6.845,1015 4.46,1016 6.309,1017 1.401,1018 7.57,1019 3.584,1020 4.205,1021 4.997,1023 7.842,1024 4.02,1025 7.635,1026 1.293,1027 9.263,1028 3.094,1029 6.217,1030 7.413,1031 1.37,1032 10.985,1033 6.002,1034 9,1035 1.05,1036 11.017,1037 2.988,1038 6.698,1039 8.1,1041 12.818,1042 6.404,1043 10.398,1044 0.821,1045 12.809,1046 2.629,1047 8.165,1048 9.948,1049 1.275,1050 15.469,1051 7.843,1052 11.821,1053 0.807,1054 14.627,1055 2.114,1056 9.019,1057 11.023,1059 17.631,1060 8.615,1061 13.261,1062 0.743,1063 16.462,1064 2.038,1065 10.283,1066 12.639,1067 1.193,1068 20.12,1069 9.843,1070 3.253,1071 -0.051,1072 18.311,1073 1.957,1074 11.301,1075 13.9,1077 22.419,1078 10.784,1079 3.095,1080 11.317,1081 20.169,1082 -0.13,1083 12.489,1084 15.417,1085 1.123,1086 24.852,1087 11.925,1088 2.783,1089 10.807,1090 22.036,1091 4.346,1092 13.581,1093 16.768,1095 27.211,1096 12.944,1097 2.57,1098 8.842,1099 23.908,1100 4.13,1101 14.743,1102 18.242,1103 1.062,1104 29.626,1105 14.053,1106 2.308,1107 8.214,1108 25.786,1109 3.774,1110 15.869,1111 19.639,1113 32.012,1114 15.109,1115 1.839,1116 7.295,1117 27.668,1118 3.45,1119 17.024,1120 21.096,1121 1.01,1122 34.422,1123 16.206,1124 1.8,1125 5.457,1126 29.554,1127 3.089,1128 18.166,1129 22.517,1131 36.82,1132 17.282,1133 9930,1134 17931,1135 22.482,1136 33.006,1137 51.187,1138 51.485,1139 52.148,1140 50.524,1141 50.357,1142 67.929,1143 3.68,1144 150.545,1145 47.3,1146 5.484,1147 5.514,1148 6.507,1149 5.349,1150 5.253,1151 7.346,1152 1.96,1153 18.731,1154 5.062,1155 12.399,1156 1.551,1157 1.56,1158 1.58,1159 1.531,1160 1.526,1161 2.058,1162 0.112,1163 4.562,1164 1.433,1165 4.094,1166 4.117,1167 4.305,1168 4.069,1169 7.437,1170 4.032,1171 3.959,1172 3.985,1173 4.033,1174 3.87,1175 5.127,1176 3.873,1177 3.78,1178 3.801,1179 3.839,1180 3.741,1181 4.918,1182 3.719,1183 3.619,1184 3.67,1185 3.644,1186 3.422,1187 4.881,1188 3.454,1189 3.32,1190 3.354,1191 3.341,1192 3.168,1193 4.81,1194 3.139,1195 3.292,1196 3.346,1197 3.286,1198 3.047,1199 4.432,1200 3.086,1201 2.88,1202 2.922,1203 3.201,1204 2.802,1205 4.338,1206 2.773,1207 2.843,1208 2.896,1209 2.782,1210 2.718,1211 4.281,1212 2.706,1213 0.14,1214 0.106,1215 0.207,1216 0.127,1217 0.099,1218 4.61,1219 0.132,1220 3.514,1221 0.03,1222 6.822,1223 0.343,1224 4.19,1225 0.093,1226 3.253,1227 4.346,1228 0.98,1229 11.317,1230 3.062,1231 1.916,1232 1.905,1233 1.984,1234 2,1235 1.167,1236 2.002,1237 1.903,1238 1.878,1239 1.981,1240 1.992,1241 1.107,1242 1.99,1243 1.663,1244 1.63,1245 1.84,1246 1.794,1247 1.082,1248 1.811,1249 1.48,1250 1.47,1251 1.521,1252 1.602,1253 0.738,1254 1.604,1255 1.278,1256 1.249,1257 1.411,1258 1.556,1259 0.526,1260 1.518,1261 1.204,1262 1.138,1263 1.337,1264 1.478,1265 0.386,1266 1.44,1267 0.982,1268 0.929,1269 1.159,1270 1.226,1271 0.19,1272 1.23,1273 0.869,1274 0.824,1275 1.115,1276 1.029,1277 0.171,1278 1.071,1279 4.205,1281 5.557,1282 3.045,1283 7.096,1284 5.416,1285 8.722,1286 7.535,1287 10.397,1290 6.378,1293 5.412,1295 1.28,1297 5.868,1305 31.691,1306 79.373,1307 171.686,1308 206.215,1309 230.215,1310 234.215,1311 234.215,1312 42.071,1313 8.419,1314 83.03,1315 111.27,1316 29,1317 12.866,1318 4.585,1319 3.7,1320 39.543,1321 111,1322 106,1323 0.18,1324 197.675,1325 332.72,1326 474.086,1327 57452,1328 2.3,1329 19.957,1330 0.688,1331 0.576,1332 20.811,1333 16.704,1334 14.114,1335 0.428,1336 0.308,1337 8.958,1338 12.92,1339 8.694,1340 7.124,1341 14.811,1342 10.161,1343 13.012,1344 0.271,1345 0.168,1346 13.998,1347 8.074,1348 11.468,1349 0.169,1350 0.093,1351 12.667,1352 6.355,1353 9.99,1354 0.106,1355 0.052,1356 11.309,1357 4.882,1358 8.077,1359 0.067,1360 0.028,1361 9.261,1362 3.403,1363 0.277,1364 95.209,1365 0.211,1366 27.091,1367 0.507,1368 162,1369 486.782,1370 215.894,1371 523.987,1372 716.71,1373 490,1374 197,1375 502.525,1376 248.093,1377 532.961,1378 788.49,1379 503,1380 7.222}
{0 CHEMBL2322775,1 1.86,2 10.759,3 4.479,4 20.061,5 116.118,6 9.858,7 0.667,8 3.923,9 4.014,10 3.767,11 3.573,12 5.154,13 3.553,14 4.404,15 4.511,16 4.192,17 3.994,18 5.633,19 3.952,20 4.64,21 4.77,22 4.335,23 4.131,24 5.81,25 4.077,26 4.697,27 4.836,28 4.382,29 4.153,30 5.891,31 4.075,32 4.65,33 4.818,34 4.189,35 4.039,36 5.841,37 3.96,38 4.487,39 4.668,40 4.075,41 3.893,42 5.57,43 3.805,44 4.456,45 4.633,46 4.005,47 3.788,48 5.667,49 3.739,50 4.353,51 4.535,52 3.741,53 3.663,54 5.549,55 3.607,56 0.153,57 0.672,58 4.661,59 3.415,60 12.676,61 3.465,62 0.294,63 1.045,64 9.87,65 6.239,66 27.554,67 6.453,68 0.422,69 1.264,70 19.273,71 8.611,72 33.411,73 8.647,74 0.47,75 1.405,76 24.289,77 9.515,78 39.361,79 8.767,80 0.598,81 1.306,82 24.423,83 9.122,84 52.684,85 9.118,86 0.357,87 1.14,88 19.797,89 7.516,90 29.901,91 7.622,92 0.491,93 1.121,94 19.23,95 6.705,96 43.188,97 6.189,98 0.42,99 0.971,100 16.162,101 6.159,102 38.732,103 6.063,104 11,105 48,106 0.316,107 0.677,108 0.788,109 0.883,110 0.899,111 0.899,112 3.409,113 0.913,114 -5.4,115 -5.29,116 -4.94,119 46.5,121 1,125 1,142 8,143 3,144 3,152 2,158 1,161 1,163 1,164 1,165 1,166 3,172 9,174 3,175 5,177 1,178 1,180 1,183 12,185 1,187 13,192 2,195 10,197 2,199 16,204 1,207 8,209 1,211 1,212 14,214 1,215 1,217 1,220 8,222 1,224 8,232 8,236 2,237 9,242 3,245 7,247 3,249 2,250 7,255 1,258 8,260 1,263 3,271 7,275 1209,276 19.861,277 19.861,278 19.861,279 19.861,280 19.861,281 17.162,282 16.627,283 11.526,284 20.335,285 16.303,286 16.303,287 16.303,288 16.303,289 16.303,290 12.155,291 13.543,292 5.44,293 17.181,294 3.566,295 1.442,296 0.791,297 0.233,298 0.14,299 0.14,300 4.12,301 1,304 1,305 1,306 693,307 2.828,310 109.409,311 137.892,312 64.386,315 92.544,316 107.149,318 1.646,319 27.566,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 62.833,331 312,332 4.61,333 3.514,334 6.822,335 4.194,336 3.253,337 4.346,338 0.98,339 11.317,340 3.066,341 4.451,342 3.368,343 6.684,344 4.048,345 3.095,346 4.13,347 0.86,348 10.807,349 2.933,350 4.164,351 3.259,352 6.097,353 3.758,354 2.783,355 3.774,357 8.842,358 2.718,359 3.937,360 2.896,361 5.937,362 3.524,363 2.57,364 3.45,366 8.214,367 2.421,368 3.693,369 2.655,370 5.646,371 3.272,372 2.308,373 3.089,375 7.295,376 2.211,377 3.189,378 2.186,379 5.021,380 2.776,381 1.839,382 2.416,384 5.457,385 1.705,386 3.021,387 2.054,388 4.721,389 2.724,390 1.8,391 2.148,393 4.938,394 1.644,395 2.877,396 1.878,397 4.194,398 2.387,399 1.414,400 2.048,402 3.584,403 1.374,404 2.83,405 1.641,406 3.901,407 2.332,408 1.401,409 1.964,411 3.094,412 1.29,413 2.795,414 1.438,415 3.777,416 2.302,417 1.293,418 1.829,420 2.988,421 1.231,422 2.461,423 1.198,424 3.675,425 2.023,426 1.05,427 1.426,428 2.629,429 1.012,430 2.301,431 1.007,432 3.553,433 1.792,434 0.821,435 1.204,436 2.114,437 0.792,438 2.229,439 0.831,440 3.398,441 1.71,442 0.807,443 1.096,445 2.038,446 0.711,447 2.126,448 0.766,449 3.375,450 1.675,451 0.743,452 1.044,454 1.957,455 0.684,456 1.19,457 0.306,458 2.76,459 0.885,460 -0.051,461 -0.059,463 -0.13,464 -0.047,465 14.214,466 0.49,467 0.73,468 0.025,469 40.5,470 1.397,471 22,472 0.759,473 18.5,474 0.638,475 23.748,476 0.819,477 28.986,478 0.674,479 29.676,480 1.023,481 7.935,482 0.274,483 6.179,484 0.213,485 0.102,487 0.38,493 0.646,494 0.777,495 0.574,496 0.709,497 0.65,498 0.696,499 0.74,500 0.899,501 0.673,502 0.817,503 0.512,504 0.809,505 1.038,506 1.087,507 0.912,508 1.022,509 0.866,510 0.922,511 1.069,512 1.253,513 1.251,514 1.311,515 0.958,516 1.106,517 0.867,518 1.067,519 1.133,520 1.115,521 0.745,522 1.038,523 0.913,524 1.127,525 0.798,526 0.934,527 0.735,528 0.983,529 1.16,530 1.07,531 1.08,532 1.004,533 1.363,534 0.938,535 1.111,536 0.994,537 1.034,538 0.994,539 1.196,540 1.038,541 5,542 0.128,543 3.778,544 2.188,545 1.801,546 1.115,547 0.509,548 0.5,549 0.281,550 0.182,551 10662,552 35396,553 2.171,554 32.6,556 10,559 2,561 2,564 1.721,565 2.047,566 3.389,567 0.296,569 1,573 79.978,574 1.86,575 3.984,576 4.636,577 5.194,578 5.287,579 5.287,580 2.879,581 4.582,582 4.829,583 3.541,584 1437.45,585 8.421,586 18645,588 1,590 1,591 233.329,592 1.361,593 4.797,594 0.152,595 0.006,596 0.079,597 0.042,598 0.036,599 0.025,600 0.014,601 0.014,602 0.009,603 0.008,604 0.384,605 0.33,606 0.88,607 0.674,608 145.244,609 0.053,610 0.278,611 0.025,612 0.104,613 -0.06,614 0.064,615 0.073,616 0.099,617 0.065,618 0.09,619 0.117,620 0.039,621 -0.082,622 -0.134,623 0.031,624 -0.016,625 -0.036,626 0.018,627 -0.125,628 -0.219,629 -0.113,630 -0.194,631 -0.093,632 -0.156,633 0.063,634 -0.054,635 -0.09,636 -0.064,637 0.059,638 -0.048,639 -0.111,640 -0.106,641 0.113,642 0.062,643 -0.059,644 0.006,645 -0.125,646 0.013,647 -0.085,648 -0.013,649 -0.202,650 -0.002,651 -0.113,652 0.029,653 -0.167,654 -0.062,655 -0.128,656 -0.082,657 2.147,658 4.511,659 0.862,660 25.313,661 1.023,662 1.113,663 4.175,664 17.43,665 0.75,666 3.526,667 3.892,668 4.234,669 4.554,670 4.796,671 4.997,672 5.176,673 5.347,674 5.533,675 5.642,676 6.292,677 0.725,678 423.91,679 3.526,680 5.094,681 5.979,682 6.884,683 7.788,684 8.699,685 9.609,686 10.524,687 11.438,688 12.354,689 11.6,696 1,697 1,699 3,704 8,705 3,708 1,709 9,710 1,711 22,717 1,729 1,730 1,731 43,733 23,734 2,735 33,737 47,738 20,739 17,740 5,741 7,742 1,746 5,747 8,748 1,755 1,758 1,761 18,762 2,766 1,771 1,775 1,778 1,781 14,782 6,783 2,784 9,785 2,790 5,794 0.6,795 2,811 2,812 2,813 1,816 1,817 1,840 3,842 1,845 1,848 29,849 1,854 2,856 1,865 1,869 1,870 4.7,873 1,875 1,877 14.167,878 7.943,879 6.222,880 2.5,881 4.442,882 1.528,883 1.048,884 4.664,885 12.861,886 3.829,887 4.483,888 5.137,889 5.776,890 6.279,891 6.709,892 7.183,893 7.612,894 8.056,895 8.437,896 1,897 52,898 10.652,900 4.677,901 7.814,902 20.119,904 16.955,905 2.314,906 67.111,909 1,910 141.253,911 145.021,912 84.418,913 39.149,914 36.145,916 31.278,917 113.744,918 216.547,919 84.418,921 40.024,922 75.81,923 81.921,924 33.834,925 2.717,926 172.531,927 39.149,928 141.253,929 198.162,930 36.145,931 70.426,933 117.711,934 59.687,937 44.129,938 104.289,939 88.893,940 31.278,941 141.253,942 120.563,943 184.17,946 141.253,947 69.211,948 77.587,950 157.935,951 141.253,952 120.563,953 184.17,955 0.59,956 0.357,957 0.199,958 0.107,959 26,960 11,961 0.064,962 3,963 2,964 1.16,965 3.985,966 277.526,967 0.16,968 25,969 140.881,970 1,974 18.432,975 7.338,976 3.252,978 118.786,979 14.787,980 12.202,983 1.575,984 7.034,985 1.64,986 32.897,987 445.986,988 45,993 11.511,997 -0.48,999 43.982,1000 47.85,1001 0.343,1002 0.734,1003 0.854,1004 0.957,1005 0.974,1006 0.974,1007 5.078,1008 1.414,1009 5.979,1010 4.938,1011 4.575,1012 5.17,1013 1.481,1014 6.845,1015 4.471,1016 6.309,1017 1.401,1018 7.57,1019 3.584,1020 4.205,1021 4.997,1023 7.842,1024 4.029,1025 7.635,1026 1.293,1027 9.263,1028 3.094,1029 6.217,1030 7.413,1031 1.37,1032 10.985,1033 6.02,1034 9,1035 1.05,1036 11.017,1037 2.988,1038 6.698,1039 8.1,1041 12.818,1042 6.423,1043 10.398,1044 0.821,1045 12.809,1046 2.629,1047 8.165,1048 9.948,1049 1.275,1050 15.469,1051 7.869,1052 11.821,1053 0.807,1054 14.627,1055 2.114,1056 9.019,1057 11.023,1059 17.631,1060 8.644,1061 13.261,1062 0.743,1063 16.462,1064 2.038,1065 10.283,1066 12.639,1067 1.193,1068 20.12,1069 9.876,1070 3.253,1071 -0.051,1072 18.311,1073 1.957,1074 11.301,1075 13.9,1077 22.419,1078 10.821,1079 3.095,1080 11.317,1081 20.169,1082 -0.13,1083 12.489,1084 15.417,1085 1.123,1086 24.852,1087 11.966,1088 2.783,1089 10.807,1090 22.036,1091 4.346,1092 13.581,1093 16.768,1095 27.211,1096 12.99,1097 2.57,1098 8.842,1099 23.908,1100 4.13,1101 14.743,1102 18.242,1103 1.062,1104 29.626,1105 14.102,1106 2.308,1107 8.214,1108 25.786,1109 3.774,1110 15.869,1111 19.639,1113 32.012,1114 15.162,1115 1.839,1116 7.295,1117 27.668,1118 3.45,1119 17.024,1120 21.096,1121 1.01,1122 34.422,1123 16.263,1124 1.8,1125 5.457,1126 29.554,1127 3.089,1128 18.166,1129 22.517,1131 36.82,1132 17.342,1133 9930,1134 18251,1135 22.482,1136 32.25,1137 51.187,1138 51.485,1139 52.148,1140 50.561,1141 50.357,1142 67.929,1143 3.68,1144 150.545,1145 47.587,1146 5.484,1147 5.514,1148 6.507,1149 5.351,1150 5.253,1151 7.346,1152 1.96,1153 18.731,1154 5.066,1155 12.399,1156 1.551,1157 1.56,1158 1.58,1159 1.532,1160 1.526,1161 2.058,1162 0.112,1163 4.562,1164 1.442,1165 4.086,1166 4.11,1167 4.304,1168 4.064,1169 7.437,1170 4.026,1171 3.95,1172 3.98,1173 4.029,1174 3.858,1175 5.24,1176 3.86,1177 3.778,1178 3.8,1179 3.839,1180 3.74,1181 4.92,1182 3.717,1183 3.592,1184 3.655,1185 3.62,1186 3.345,1187 4.892,1188 3.388,1189 3.308,1190 3.349,1191 3.339,1192 3.135,1193 4.814,1194 3.118,1195 3.292,1196 3.343,1197 3.285,1198 3.036,1199 4.444,1200 3.079,1201 2.88,1202 2.922,1203 3.201,1204 2.801,1205 4.338,1206 2.773,1207 2.841,1208 2.894,1209 2.781,1210 2.717,1211 4.282,1212 2.704,1213 0.14,1214 0.106,1215 0.207,1216 0.127,1217 0.099,1218 4.61,1219 0.132,1220 3.514,1221 0.03,1222 6.822,1223 0.343,1224 4.194,1225 0.093,1226 3.253,1227 4.346,1228 0.98,1229 11.317,1230 3.066,1231 1.916,1232 1.905,1233 1.982,1234 1.996,1235 1.167,1236 1.996,1237 1.895,1238 1.87,1239 1.977,1240 1.992,1241 1.1,1242 1.99,1243 1.663,1244 1.629,1245 1.84,1246 1.794,1247 1.075,1248 1.811,1249 1.469,1250 1.463,1251 1.491,1252 1.59,1253 0.719,1254 1.588,1255 1.274,1256 1.245,1257 1.4,1258 1.556,1259 0.526,1260 1.518,1261 1.042,1262 0.976,1263 1.227,1264 1.408,1265 0.262,1266 1.318,1267 0.97,1268 0.92,1269 1.123,1270 1.226,1271 0.188,1272 1.224,1273 0.868,1274 0.824,1275 1.091,1276 1.027,1277 0.155,1278 1.066,1279 4.205,1281 5.557,1282 3.045,1283 7.096,1284 5.416,1285 8.722,1286 7.535,1287 10.397,1290 6.338,1293 5.405,1295 1.244,1297 5.855,1305 31.185,1306 79.978,1307 171.329,1308 199.329,1309 223.329,1310 227.329,1311 227.329,1312 42.976,1313 8.419,1314 95.92,1315 124.16,1316 29,1317 12.866,1318 4.585,1319 3.7,1320 39.543,1321 111,1322 106,1323 0.18,1324 194.877,1325 326.42,1326 467.259,1327 57452,1328 2.3,1329 19.957,1330 0.688,1331 0.572,1332 20.811,1333 16.574,1334 14.114,1335 0.428,1336 0.304,1337 8.832,1338 12.86,1339 8.584,1340 7.035,1341 14.811,1342 10.044,1343 13.012,1344 0.271,1345 0.166,1346 13.998,1347 7.964,1348 11.468,1349 0.169,1350 0.092,1351 12.667,1352 6.245,1353 9.99,1354 0.106,1355 0.051,1356 11.309,1357 4.759,1358 8.077,1359 0.067,1360 0.028,1361 9.261,1362 3.323,1363 0.277,1364 95.663,1365 0.211,1366 27.091,1367 0.507,1368 162,1369 506.428,1370 217.67,1371 542.351,1372 741.55,1373 506,1374 197,1375 527.702,1376 250.313,1377 554.832,1378 817.99,1379 523,1380 7.377}
{0 CHEMBL2322776,1 1.733,2 9.385,3 5.248,4 27.539,5 102.442,6 9.766,7 0.733,8 3.82,9 3.885,10 3.673,11 3.52,12 4.975,13 3.49,14 4.321,15 4.417,16 4.093,17 3.932,18 5.452,19 3.881,20 4.523,21 4.651,22 4.228,23 4.055,24 5.607,25 3.981,26 4.534,27 4.651,28 4.281,29 4.053,30 5.654,31 3.965,32 4.482,33 4.622,34 4.045,35 3.968,36 5.565,37 3.869,38 4.357,39 4.524,40 3.895,41 3.823,42 5.377,43 3.695,44 4.274,45 4.454,46 3.701,47 3.646,48 5.32,49 3.557,50 4.11,51 4.267,52 3.557,53 3.494,54 5.19,55 3.436,56 0.049,57 0.475,58 4.18,59 3.117,60 5.163,61 3.345,62 0.216,63 0.822,64 9.668,65 5.653,66 15.523,67 5.68,68 0.295,69 1.035,70 18.292,71 7.966,72 21.071,73 8.419,74 0.343,75 1.056,76 21.297,77 8.619,78 23.472,79 8.16,80 0.349,81 1.039,82 21.811,83 8.318,84 26.221,85 7.689,86 0.225,87 0.924,88 19.598,89 7.244,90 19.056,91 7.787,92 0.31,93 0.835,94 17.267,95 6.624,96 23.048,97 7.318,98 0.268,99 0.672,100 11.112,101 5.048,102 17.596,103 5.509,104 2,105 43,106 0.301,107 0.641,108 0.804,109 0.892,110 0.901,111 0.901,112 3.306,113 0.94,114 -4.95,115 -4.86,116 -4.56,119 51.3,121 1,125 1,142 7,143 2,144 2,145 1,146 2,152 3,160 1,172 7,174 1,175 4,183 9,186 1,187 9,195 5,199 11,207 6,212 6,220 7,223 1,224 2,232 9,236 2,237 2,245 6,249 1,250 4,258 5,263 5,271 3,275 900,276 18.206,277 18.206,278 18.206,279 18.206,280 18.206,281 15.624,282 9.146,283 10.747,284 18.721,285 14.852,286 14.852,287 14.852,288 14.852,289 14.852,290 10.981,291 7.632,292 5.087,293 15.772,294 3.552,295 1.594,296 0.658,297 0.154,298 0.103,299 0.103,300 4.022,301 1,304 1,305 1,306 552,307 2.121,310 92.008,311 121.186,312 54.743,315 77.829,316 92.618,318 1.385,319 19.791,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55.333,331 244,332 4.605,333 3.337,334 6.821,335 4.198,336 3.248,337 4.338,338 0.86,339 11.309,340 3.094,341 4.431,342 3.235,343 6.677,344 4.04,345 3.079,346 4.102,348 10.778,349 2.94,350 4.057,351 2.898,352 6.067,353 3.609,354 2.673,355 3.653,357 8.691,358 2.49,359 3.801,360 2.643,361 5.726,362 3.346,363 2.395,364 3.34,366 7.605,367 2.263,368 3.206,369 2.176,370 5.023,371 2.786,372 1.845,373 2.453,375 5.468,376 1.72,377 3.021,378 2.004,379 4.723,380 2.72,381 1.805,382 2.148,384 4.945,385 1.636,386 2.907,387 1.639,388 4.193,389 2.423,390 1.461,391 2.084,393 3.582,394 1.401,395 2.875,396 1.523,397 3.866,398 2.377,399 1.414,400 2.043,402 3.181,403 1.353,404 2.829,405 1.409,406 3.687,407 2.328,408 1.401,409 1.963,411 2.989,412 1.229,413 2.447,414 1.196,415 3.598,416 1.995,417 1.054,418 1.427,420 2.562,421 0.985,422 2.3,423 0.932,424 3.546,425 1.779,426 0.819,427 1.204,428 2.064,429 0.781,430 2.221,431 0.821,432 3.385,433 1.689,434 0.801,435 1.087,436 2.029,437 0.696,438 2.125,439 0.74,440 3.349,441 1.669,442 0.734,443 1.041,445 1.943,446 0.677,447 1.163,448 0.299,449 2.67,450 0.865,451 -0.056,452 -0.066,454 -0.138,455 -0.051,456 1.096,457 0.172,458 2.524,459 0.627,460 -0.214,461 -0.268,463 -0.476,464 -0.145,465 13.014,466 0.501,467 0.534,468 0.021,469 37.75,470 1.452,471 20.5,472 0.788,473 17.25,474 0.663,475 20.131,476 0.774,477 25.386,478 0.651,479 24.693,480 0.95,481 7.235,482 0.278,483 5.575,484 0.214,485 0.055,487 0.346,493 0.769,494 1.017,495 0.561,496 0.792,497 0.678,498 0.734,499 1.04,500 0.91,501 0.719,502 0.767,503 0.909,504 0.772,505 0.985,506 0.998,507 0.901,508 0.946,509 0.877,510 0.852,511 1.019,512 1.195,513 1.181,514 1.267,515 0.953,516 1.047,517 1.216,518 1.021,519 1.328,520 1.168,521 1.154,522 1.041,523 0.748,524 1.107,525 0.984,526 1.114,527 0.919,528 1.161,529 0.935,530 0.956,531 0.966,532 0.945,533 0.965,534 0.952,535 1.019,536 1.009,537 0.78,538 0.89,539 0.942,540 0.984,541 3.5,542 0.058,543 3.111,544 1.875,545 1.369,546 0.779,547 0.321,548 0.332,549 0.178,550 0.111,551 8025,552 23984,553 2.241,554 33.3,556 9,558 2,561 2,564 1.694,565 2.167,566 3.217,567 -0.76,573 67.586,574 1.733,575 3.691,576 4.628,577 5.132,578 5.183,579 5.183,580 2.643,581 4.47,582 4.676,583 3.337,584 1084.48,585 8.116,586 12937.2,591 206.131,592 1.142,593 4.66,594 0.117,595 0.004,596 0.072,597 0.041,598 0.031,599 0.02,600 0.011,601 0.012,602 0.007,603 0.006,604 0.321,605 0.33,606 0.88,607 0.362,608 124.588,609 -0.034,610 -0.097,611 0.035,612 -0.013,613 -0.025,614 0.01,615 -0.072,616 0.062,617 0.022,618 0.107,619 -0.078,620 0.039,621 -0.006,622 -0.03,623 0.063,624 0.045,625 0.039,626 0.078,627 0.021,628 -0.181,629 -0.036,630 -0.176,631 0.037,632 -0.121,633 -0.201,634 0.032,635 -0.234,636 -0.089,637 -0.166,638 -0.096,639 -0.019,640 -0.092,641 -0.015,642 -0.112,643 -0.083,644 -0.169,645 0.061,646 0.056,647 -0.011,648 0.033,649 0.043,650 0.064,651 0.074,652 -0.054,653 -0.015,654 -0.029,655 0.05,656 -0.04,657 1.024,658 2.321,659 0.962,660 19.154,661 1.014,662 1.097,663 3.724,664 13.87,665 0.769,666 3.434,667 3.784,668 4.143,669 4.477,670 4.7,671 4.868,672 5.03,673 5.209,674 5.371,675 5.442,676 5.605,677 0.735,678 380.87,679 3.434,680 4.99,681 5.878,682 6.781,683 7.685,684 8.595,685 9.505,686 10.418,687 11.331,688 12.246,689 5.1,699 2,704 9,705 2,707 1,708 1,709 9,711 22,729 1,730 1,731 39,733 22,734 1,735 30,737 43,738 20,739 18,740 2,741 4,746 5,747 8,748 1,755 1,758 1,761 18,762 2,781 13,782 4,784 6,785 2,790 2,794 0.6,795 2,799 1,805 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,845 1,848 26,854 2,856 1,865 1,869 1,870 5.1,875 2,877 12,878 7.293,879 5.611,880 2.359,881 4.36,882 1.535,883 1.061,884 4.026,885 12.51,886 3.738,887 4.388,888 5.055,889 5.704,890 6.188,891 6.579,892 7.04,893 7.494,894 7.916,895 8.264,896 1,897 46,898 9.568,900 4.175,901 7.613,902 18.424,904 15.617,905 2.113,906 54.944,910 153.024,911 153.891,912 33.571,913 39.149,914 20.507,916 31.278,917 122.613,918 212.68,919 33.571,921 7.127,922 66.334,923 68.424,924 50.183,925 8.166,926 160.76,927 39.149,928 153.024,929 156.184,930 20.507,931 70.426,933 129.482,934 44.049,937 32.998,938 89.615,939 72.72,940 31.278,941 153.024,942 54.078,943 193.039,946 153.024,947 67.199,948 86.692,950 93.227,951 153.024,952 54.078,953 193.039,955 0.582,956 0.358,957 0.21,958 0.111,959 24,960 9,961 0.047,962 2,963 2,964 1.16,965 3.792,966 240.866,967 0.16,968 25,969 122.211,970 1,974 16.038,975 6.527,976 2.773,978 54.078,979 16.904,980 8.991,982 5.683,983 1.656,984 8.064,987 400.142,988 41,999 39.56,1000 42.771,1001 0.328,1002 0.698,1003 0.876,1004 0.971,1005 0.981,1006 0.981,1007 4.973,1008 1.414,1009 5.861,1010 3.582,1011 4.466,1012 5.075,1013 0.908,1014 6.723,1015 4.348,1016 6.191,1017 1.401,1018 7.442,1019 3.181,1020 4.007,1021 4.808,1023 7.711,1024 3.816,1025 7.508,1026 1.054,1027 9.131,1028 2.989,1029 6.094,1030 7.313,1031 0.739,1032 10.877,1033 5.882,1034 8.868,1035 0.819,1036 10.884,1037 2.562,1038 6.538,1039 7.954,1041 12.73,1042 6.254,1043 10.264,1044 0.801,1045 12.68,1046 2.064,1047 8.041,1048 9.846,1049 0.593,1050 15.391,1051 7.738,1052 11.686,1053 0.734,1054 14.503,1055 2.029,1056 8.885,1057 10.902,1059 17.569,1060 8.515,1061 13.128,1062 -0.056,1063 16.345,1064 1.943,1065 10.166,1066 12.541,1067 0.469,1068 20.064,1069 9.769,1070 3.248,1071 -0.214,1072 18.201,1073 -0.138,1074 11.186,1075 13.794,1077 22.373,1078 10.729,1079 3.079,1080 11.309,1081 20.068,1082 -0.476,1083 12.384,1084 15.322,1085 0.366,1086 24.811,1087 11.891,1088 2.673,1089 10.778,1090 21.942,1091 4.338,1092 13.48,1093 16.67,1095 27.175,1096 12.933,1097 2.395,1098 8.691,1099 23.821,1100 4.102,1101 14.648,1102 18.15,1103 0.283,1104 29.593,1105 14.061,1106 1.845,1107 7.605,1108 25.706,1109 3.653,1110 15.777,1111 19.547,1113 31.981,1114 15.14,1115 1.805,1116 5.468,1117 27.594,1118 3.34,1119 16.936,1120 21.007,1121 0.217,1122 34.393,1123 16.256,1124 1.461,1125 4.945,1126 29.486,1127 2.453,1128 18.082,1129 22.428,1131 36.793,1132 17.352,1133 7339,1134 12839,1135 20.978,1136 29.994,1137 46.118,1138 46.088,1139 46.787,1140 45.655,1141 45.458,1142 61.762,1143 1.72,1144 134.294,1145 42.531,1146 5.474,1147 5.337,1148 6.507,1149 5.355,1150 5.248,1151 7.338,1152 1.72,1153 18.723,1154 5.094,1155 6.419,1156 1.537,1157 1.536,1158 1.56,1159 1.522,1160 1.515,1161 2.059,1162 0.057,1163 4.476,1164 1.418,1165 4.075,1166 4.082,1167 4.3,1168 4.053,1169 5.187,1170 4.015,1171 3.932,1172 3.949,1173 4.025,1174 3.868,1175 4.961,1176 3.86,1177 3.744,1178 3.769,1179 3.772,1180 3.658,1181 4.88,1182 3.654,1183 3.593,1184 3.624,1185 3.625,1186 3.428,1187 4.494,1188 3.451,1189 3.312,1190 3.346,1191 3.294,1192 3.161,1193 4.381,1194 3.13,1195 2.881,1196 2.922,1197 3.284,1198 2.804,1199 4.336,1200 2.776,1201 2.832,1202 2.869,1203 2.786,1204 2.73,1205 3.801,1206 2.722,1207 2.815,1208 2.865,1209 2.694,1210 2.699,1211 3.719,1212 2.693,1213 0.153,1214 0.111,1215 0.227,1216 0.14,1217 0.108,1218 4.605,1219 0.145,1220 3.337,1221 0.029,1222 6.821,1223 0.377,1224 4.198,1225 0.103,1226 3.248,1227 4.338,1228 0.86,1229 11.309,1230 3.094,1231 1.903,1232 1.888,1233 1.982,1234 1.97,1235 1.142,1236 1.981,1237 1.829,1238 1.807,1239 1.906,1240 1.949,1241 1.097,1242 1.94,1243 1.662,1244 1.629,1245 1.84,1246 1.793,1247 0.973,1248 1.81,1249 1.477,1250 1.472,1251 1.506,1252 1.559,1253 0.738,1254 1.57,1255 1.172,1256 1.159,1257 1.317,1258 1.505,1259 0.506,1260 1.442,1261 1.142,1262 1.109,1263 1.282,1264 1.29,1265 0.295,1266 1.308,1267 0.954,1268 0.918,1269 1.118,1270 1.052,1271 0.163,1272 1.098,1273 0.868,1274 0.824,1275 1.027,1276 1.009,1277 0.118,1278 1.05,1279 4.111,1281 5.451,1282 3.045,1283 6.986,1284 5.416,1285 8.611,1286 7.535,1287 10.284,1290 6.354,1295 1.472,1297 5.821,1305 28.648,1306 67.586,1307 143.95,1308 180.479,1309 200.131,1310 202.131,1311 202.131,1312 31.151,1313 8.15,1314 48.15,1315 76.39,1316 29,1317 12.758,1318 4.524,1319 3.585,1320 33.784,1321 88,1322 79,1323 0.191,1324 177.421,1325 296.06,1326 424.668,1327 41984,1328 2.6,1329 17.51,1330 0.673,1331 0.584,1332 18.363,1333 15.18,1334 12.81,1335 0.427,1336 0.313,1337 8.213,1338 11.69,1339 7.964,1340 6.516,1341 13.507,1342 9.402,1343 11.479,1344 0.267,1345 0.172,1346 12.465,1347 7.383,1348 10.412,1349 0.168,1350 0.095,1351 11.61,1352 5.863,1353 9.324,1354 0.107,1355 0.052,1356 10.642,1357 4.565,1358 7.496,1359 0.069,1360 0.029,1361 8.694,1362 3.176,1363 0.292,1364 86.841,1365 0.218,1366 24.558,1367 0.551,1368 146,1369 431.825,1370 197.78,1371 466.289,1372 644.53,1373 440,1374 178,1375 449.353,1376 227.069,1377 479.14,1378 714.08,1379 453,1380 6.602}
{0 CHEMBL2322777,1 1.789,2 10.037,3 5.53,4 30.582,5 102.292,6 9.536,7 0.71,8 3.852,9 3.935,10 3.675,11 3.506,12 5.074,13 3.493,14 4.358,15 4.47,16 4.097,17 3.909,18 5.601,19 3.885,20 4.589,21 4.736,22 4.213,23 4.02,24 5.811,25 3.986,26 4.604,27 4.75,28 4.258,29 4.047,30 5.971,31 3.979,32 4.533,33 4.697,34 3.995,35 3.964,36 5.709,37 3.874,38 4.443,39 4.643,40 3.854,41 3.774,42 5.591,43 3.692,44 4.326,45 4.528,46 3.739,47 3.605,48 5.575,49 3.571,50 4.174,51 4.352,52 3.624,53 3.487,54 5.406,55 3.471,56 0.117,57 0.713,58 4.55,59 3.513,60 8.201,61 3.476,62 0.285,63 1.186,64 9.922,65 6.147,66 18.661,67 5.87,68 0.522,69 1.528,70 18.327,71 8.429,72 43.11,73 8.085,74 0.661,75 1.696,76 21.074,77 9.181,78 77.369,79 8.21,80 0.46,81 1.415,82 20.551,83 8.776,84 36.591,85 8.737,86 0.409,87 1.296,88 19.091,89 7.821,90 37.284,91 8.362,92 0.471,93 1.172,94 16.461,95 6.312,96 39.557,97 6.722,98 0.332,99 0.989,100 11.375,101 5.144,102 28.519,103 5.254,104 5,105 45,106 0.31,107 0.633,108 0.782,109 0.895,110 0.903,111 0.903,112 3.341,113 0.893,114 -6.58,115 -6.4,116 -5.94,119 50,121 1,125 1,142 8,143 2,144 4,148 1,152 2,161 1,166 1,172 7,174 2,175 4,183 10,187 10,195 8,199 10,207 7,212 7,220 8,224 4,232 6,236 2,237 5,245 4,249 1,250 4,258 5,263 2,271 4,275 1009,276 18.654,277 18.654,278 18.654,279 18.654,280 18.654,281 16.047,282 15.453,283 10.88,284 19.21,285 15.335,286 15.335,287 15.335,288 15.335,289 15.335,290 11.391,291 12.548,292 5.16,293 16.327,294 3.532,295 1.663,296 0.8,297 0.15,298 0.1,299 0.1,300 4.055,304 1,305 1,306 610,307 2.236,310 98.305,311 128.374,312 58.173,315 82.655,316 98.336,318 1.449,319 32.747,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 59.5,331 271,332 4.607,333 3.384,334 6.822,335 4.187,336 3.25,337 4.342,338 0.86,339 11.314,340 3.046,341 4.441,342 3.28,343 6.678,344 4.039,345 3.087,346 4.119,348 10.784,349 2.93,350 4.098,351 2.958,352 6.081,353 3.657,354 2.712,355 3.71,357 8.751,358 2.552,359 3.852,360 2.754,361 5.735,362 3.399,363 2.447,364 3.407,366 7.667,367 2.327,368 3.442,369 2.576,370 5.17,371 3.033,372 2.101,373 2.752,375 6.175,376 1.938,377 3.134,378 2.177,379 4.795,380 2.735,381 1.814,382 2.372,384 5.01,385 1.656,386 3.021,387 2.044,388 4.716,389 2.666,390 1.745,391 2.147,393 4.911,394 1.588,395 2.904,396 1.576,397 4.175,398 2.442,399 1.46,400 2.074,402 3.59,403 1.427,404 2.83,405 1.519,406 3.869,407 2.344,408 1.406,409 1.965,411 3.181,412 1.309,413 2.447,414 1.197,415 3.702,416 2.014,417 1.054,418 1.427,420 2.591,421 1.004,422 2.374,423 0.995,424 3.589,425 1.845,426 0.911,427 1.318,428 2.243,429 0.847,430 2.223,431 0.931,432 3.403,433 1.683,434 0.808,435 1.089,436 2.063,437 0.688,438 2.125,439 0.742,440 3.349,441 1.66,442 0.736,443 1.041,445 1.955,446 0.675,447 1.262,448 0.328,449 2.672,450 0.885,451 -0.04,452 -0.048,454 -0.097,455 -0.036,456 1.153,457 0.235,458 2.624,459 0.822,460 -0.089,461 -0.11,463 -0.217,464 -0.08,465 12.938,466 0.479,467 0.64,468 0.024,469 38.25,470 1.417,471 20.5,472 0.759,473 17.75,474 0.657,475 20.697,476 0.767,477 27.262,478 0.682,479 27.141,480 1.005,481 7.517,482 0.278,483 5.686,484 0.211,485 0.044,487 0.379,491 2,493 0.58,494 0.839,495 0.603,496 0.824,497 0.506,498 0.769,499 0.783,500 0.875,501 0.767,502 0.862,503 0.589,504 0.836,505 1.031,506 0.958,507 0.958,508 0.965,509 0.922,510 0.884,511 0.843,512 0.934,513 1.277,514 1.196,515 0.7,516 1.045,517 0.668,518 0.861,519 1.364,520 1.239,521 0.619,522 1.173,523 0.644,524 0.934,525 1.031,526 1.113,527 0.642,528 1.098,529 0.839,530 0.923,531 0.953,532 0.888,533 0.842,534 0.885,535 0.915,536 1.005,537 0.761,538 0.947,539 0.881,540 1.015,541 4.5,542 0.099,543 3.333,544 2.063,545 1.561,546 0.89,547 0.442,548 0.435,549 0.197,550 0.167,551 8858,552 28649,553 2.208,554 32.5,556 10,558 1,561 2,564 1.703,565 2.104,566 3.29,567 -0.733,573 71.578,574 1.789,575 3.659,576 4.522,577 5.172,578 5.222,579 5.222,580 2.713,581 4.607,582 4.729,583 3.414,584 1198.21,585 8.221,586 14691.2,591 212.877,592 1.28,593 4.703,594 0.145,595 0.006,596 0.074,597 0.043,598 0.034,599 0.023,600 0.014,601 0.014,602 0.007,603 0.008,604 0.368,605 0.33,606 0.75,607 0.454,608 131.428,609 0.002,610 -0.013,611 0.053,612 0.01,613 -0.027,614 0.014,615 -0.049,616 -0.023,617 0.038,618 0.037,620 0.002,621 -0.08,622 -0.017,623 0.036,624 0.037,625 -0.06,626 0.05,627 0.067,628 0.046,629 -0.07,630 -0.065,631 0.158,632 -0.098,633 0.017,634 -0.014,635 -0.241,636 -0.165,637 0.009,638 -0.177,639 0.045,640 -0.094,641 0.026,642 -0.11,643 0.034,644 -0.054,645 0.056,646 0.017,647 0.023,648 0.045,649 0.029,650 0.106,651 -0.025,652 -0.101,653 0.021,654 -0.112,655 -0.039,656 -0.077,657 2.349,658 6.245,659 0.926,660 20.708,661 1.026,662 1.12,663 5.348,664 28.603,665 0.739,666 3.466,667 3.829,668 4.174,669 4.511,670 4.736,671 4.92,672 5.069,673 5.252,674 5.407,675 5.485,676 5.839,677 0.722,678 381.43,679 3.466,680 5.03,681 5.916,682 6.823,683 7.725,684 8.638,685 9.546,686 10.462,687 11.373,688 12.29,689 7.5,697 1,699 2,704 9,705 2,708 1,709 9,710 1,711 22,729 1,730 2,731 40,733 22,734 2,735 31,737 44,738 20,739 18,740 5,741 7,746 5,747 8,755 1,758 1,761 18,762 2,779 2,781 13,782 5,784 7,785 1,790 3,794 0.6,795 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,846 2,848 27,854 2,856 1,865 1,867 1,869 2,870 2.5,875 1,877 12.833,878 7.469,879 5.778,880 2.402,881 4.382,882 1.531,883 1.07,884 4.016,885 12.627,886 3.761,887 4.425,888 5.083,889 5.734,890 6.222,891 6.633,892 7.075,893 7.535,894 7.956,895 8.301,896 0.857,897 48,898 10.024,900 4.497,901 7.92,902 18.81,904 15.991,905 2.42,906 65.333,910 153.024,911 160.491,912 35.225,914 11,915 29.92,916 31.278,917 129.214,918 164.024,919 65.145,921 7.127,922 75.81,923 47.548,924 54.008,925 32.637,926 172.531,928 153.024,929 164.439,930 40.92,931 31.278,933 159.402,934 34.542,937 19.85,938 111.14,939 33.449,940 31.278,941 182.945,942 46.225,943 160.491,946 153.024,947 76.063,948 86.205,950 74.369,951 153.024,952 76.145,953 160.491,955 0.588,956 0.356,957 0.207,958 0.11,959 25,960 10,961 0.045,962 2,963 2,964 1.16,965 3.85,966 253.168,967 0.16,968 25,969 128.382,970 1,974 16.579,975 6.54,976 2.847,978 74.369,979 14.765,980 8.467,983 1.567,984 4.43,985 1.405,987 389.661,988 42,999 41.036,1000 44.795,1001 0.336,1002 0.687,1003 0.85,1004 0.972,1005 0.981,1006 0.981,1007 5.007,1008 1.46,1009 5.911,1010 4.911,1011 4.511,1012 5.112,1013 0.908,1014 6.774,1015 4.386,1016 6.235,1017 1.406,1018 7.496,1019 3.59,1020 4.111,1021 4.913,1023 7.758,1024 3.906,1025 7.559,1026 1.054,1027 9.184,1028 3.181,1029 6.146,1030 7.36,1031 0.739,1032 10.914,1033 5.912,1034 8.923,1035 0.911,1036 10.934,1037 2.591,1038 6.608,1039 8.028,1041 12.751,1042 6.287,1043 10.32,1044 0.808,1045 12.724,1046 2.243,1047 8.089,1048 9.894,1049 0.593,1050 15.412,1051 7.742,1052 11.742,1053 0.736,1054 14.541,1055 2.063,1056 8.936,1057 10.961,1059 17.581,1060 8.503,1061 13.182,1062 -0.04,1063 16.378,1064 1.955,1065 10.208,1066 12.588,1067 0.469,1068 20.078,1069 9.74,1070 3.25,1071 -0.089,1072 18.229,1073 -0.097,1074 11.227,1075 13.846,1077 22.383,1078 10.68,1079 3.087,1080 11.314,1081 20.091,1082 -0.217,1083 12.42,1084 15.368,1085 0.366,1086 24.821,1087 11.828,1088 2.712,1089 10.784,1090 21.962,1091 4.342,1092 13.514,1093 16.719,1095 27.184,1096 12.85,1097 2.447,1098 8.751,1099 23.839,1100 4.119,1101 14.68,1102 18.196,1103 0.283,1104 29.602,1105 13.964,1106 2.101,1107 7.667,1108 25.721,1109 3.71,1110 15.809,1111 19.593,1113 31.99,1114 15.024,1115 1.814,1116 6.175,1117 27.608,1118 3.407,1119 16.967,1120 21.052,1121 0.217,1122 34.402,1123 16.125,1124 1.745,1125 5.01,1126 29.498,1127 2.752,1128 18.112,1129 22.474,1131 36.802,1132 17.204,1133 8153,1134 14838,1135 21.383,1136 29.563,1137 47.773,1138 47.757,1139 48.687,1140 47.172,1141 47.061,1142 63.527,1143 1.72,1144 140.47,1145 43.973,1146 5.477,1147 5.384,1148 6.508,1149 5.346,1150 5.25,1151 7.342,1152 1.72,1153 18.742,1154 5.046,1155 9.505,1156 1.541,1157 1.541,1158 1.571,1159 1.522,1160 1.518,1161 2.049,1162 0.055,1163 4.531,1164 1.418,1165 4.088,1166 4.115,1167 4.302,1168 4.062,1169 8.211,1170 4.022,1171 3.952,1172 3.979,1173 3.948,1174 3.845,1175 8.191,1176 3.858,1177 3.761,1178 3.792,1179 3.773,1180 3.706,1181 5.08,1182 3.686,1183 3.599,1184 3.65,1185 3.599,1186 3.407,1187 4.872,1188 3.44,1189 3.315,1190 3.353,1191 3.295,1192 3.165,1193 4.475,1194 3.137,1195 2.914,1196 2.964,1197 2.901,1198 2.739,1199 4.433,1200 2.739,1201 2.861,1202 2.918,1203 2.795,1204 2.733,1205 4.318,1206 2.729,1207 2.841,1208 2.899,1209 2.763,1210 2.716,1211 3.65,1212 2.706,1213 0.149,1214 0.109,1215 0.22,1216 0.135,1217 0.105,1218 4.607,1219 0.14,1220 3.384,1221 0.028,1222 6.822,1223 0.365,1224 4.187,1225 0.098,1226 3.25,1227 4.342,1228 0.86,1229 11.314,1230 3.046,1231 1.897,1232 1.882,1233 1.985,1234 2.014,1235 1.16,1236 1.994,1237 1.884,1238 1.859,1239 1.955,1240 1.966,1241 1.082,1242 1.975,1243 1.661,1244 1.627,1245 1.839,1246 1.795,1247 1.051,1248 1.811,1249 1.465,1250 1.455,1251 1.49,1252 1.593,1253 0.715,1254 1.586,1255 1.186,1256 1.112,1257 1.323,1258 1.498,1259 0.507,1260 1.452,1261 1.143,1262 1.104,1263 1.264,1264 1.297,1265 0.222,1266 1.31,1267 0.941,1268 0.899,1269 1.136,1270 1.081,1271 0.187,1272 1.114,1273 0.86,1274 0.804,1275 1.115,1276 1.068,1277 0.151,1278 1.078,1279 4.143,1281 5.493,1282 3.045,1283 7.031,1284 5.416,1285 8.658,1286 7.535,1287 10.333,1291 27.497,1295 1.374,1297 5.828,1305 28.894,1306 71.578,1307 146.348,1308 180.877,1309 206.877,1310 208.877,1311 208.877,1312 44.438,1313 8.246,1314 39.94,1315 68.18,1316 29,1317 12.802,1318 4.524,1319 3.585,1320 35.666,1321 95,1322 98,1323 0.187,1324 174.283,1325 295.2,1326 417.01,1327 47143,1328 5,1329 18.38,1330 0.681,1331 0.55,1332 16.993,1333 14.841,1334 13.204,1335 0.426,1336 0.298,1337 8.347,1338 12.183,1339 8.164,1340 6.668,1341 12.807,1342 9.229,1343 12.113,1344 0.269,1345 0.16,1346 11.567,1347 7.203,1348 10.732,1349 0.168,1350 0.089,1351 10.779,1352 5.682,1353 9.668,1354 0.107,1355 0.05,1356 9.968,1357 4.465,1358 7.645,1359 0.068,1360 0.028,1361 8.189,1362 3.131,1363 0.286,1364 87.39,1365 0.216,1366 25.413,1367 0.533,1368 152,1369 559.753,1370 195.128,1371 509.363,1372 694.11,1373 478,1374 185,1375 499.847,1376 228.424,1377 506.407,1378 753.29,1379 479,1380 6.959}
{0 CHEMBL2322778,1 1.879,2 11.4,3 4.532,4 20.542,5 110.873,6 9.647,7 0.647,8 3.948,9 4.036,10 3.763,11 3.569,12 5.224,13 3.569,14 4.443,15 4.553,16 4.193,17 3.977,18 5.775,19 3.965,20 4.682,21 4.815,22 4.317,23 4.106,24 5.984,25 4.086,26 4.732,27 4.873,28 4.365,29 4.141,30 6.143,31 4.089,32 4.688,33 4.855,34 4.136,35 4.06,36 5.941,37 3.986,38 4.569,39 4.754,40 4.043,41 3.909,42 5.762,43 3.847,44 4.521,45 4.699,46 4.034,47 3.802,48 5.858,49 3.783,50 4.432,51 4.616,52 3.8,53 3.686,54 5.701,55 3.658,56 0.184,57 0.804,58 4.909,59 3.812,60 19.472,61 3.528,62 0.403,63 1.302,64 10.52,65 6.72,66 40.506,67 6.316,68 0.673,69 1.658,70 18.432,71 8.984,72 67.597,73 8.16,74 0.811,75 1.862,76 22.118,77 10.025,78 102.923,79 8.722,80 0.735,81 1.575,82 24.002,83 9.987,84 71.479,85 10.073,86 0.555,87 1.433,88 19.389,89 8.472,90 58.208,91 8.756,92 0.64,93 1.383,94 19.248,95 7.365,96 71.993,97 7.086,98 0.529,99 1.21,100 17.641,101 7.082,102 61.326,103 6.993,104 18,105 50,106 0.318,107 0.687,108 0.81,109 0.893,110 0.901,111 0.901,112 3.441,113 0.872,114 -5.57,115 -5.44,116 -5.08,119 47.7,121 1,125 1,142 7,143 3,144 4,148 1,152 2,158 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 5,177 1,178 1,180 1,183 10,185 1,187 12,192 2,195 8,197 2,199 11,204 1,207 7,209 1,211 1,212 8,214 1,215 1,217 1,220 8,222 1,224 4,232 6,236 2,237 8,242 3,245 4,247 3,249 1,250 5,255 1,258 5,260 1,263 2,271 4,275 1362,276 20.309,277 20.309,278 20.309,279 20.309,280 20.309,281 17.585,282 18.277,283 11.659,284 20.844,285 16.786,286 16.786,287 16.786,288 16.786,289 16.786,290 12.565,291 14.899,292 5.513,293 17.742,294 3.58,295 1.401,296 0.674,297 0.182,298 0.136,299 0.136,300 4.149,304 1,305 1,306 756,307 2.915,310 115.707,311 145.08,312 67.816,315 97.37,316 112.867,318 1.693,319 44.44,322 0.75,323 1,324 1,325 0.4,327 1,328 1,329 0.74,330 67,331 342,332 4.612,333 3.514,334 6.824,335 4.195,336 3.255,337 4.35,338 0.98,339 11.321,340 3.067,341 4.459,342 3.381,343 6.686,344 4.058,345 3.103,346 4.145,347 0.86,348 10.813,349 2.952,350 4.181,351 3.269,352 6.107,353 3.77,354 2.796,355 3.804,357 8.879,358 2.728,359 3.991,360 2.957,361 5.944,362 3.581,363 2.617,364 3.532,366 8.261,367 2.496,368 3.723,369 2.754,370 5.653,371 3.311,372 2.347,373 3.111,375 7.339,376 2.257,377 3.432,378 2.577,379 5.168,380 3.024,381 2.09,382 2.737,384 6.163,385 1.932,386 3.12,387 2.186,388 4.794,389 2.733,390 1.814,391 2.34,393 4.997,394 1.647,395 3.021,396 2.045,397 4.715,398 2.658,399 1.738,400 2.147,402 4.911,403 1.579,404 2.831,405 1.878,406 4.176,407 2.345,408 1.406,409 1.966,411 3.591,412 1.31,413 2.795,414 1.572,415 3.903,416 2.302,417 1.293,418 1.829,420 3.094,421 1.29,422 2.461,423 1.199,424 3.78,425 2.017,426 1.05,427 1.426,428 2.652,429 1.006,430 2.375,431 1.007,432 3.685,433 1.845,434 0.911,435 1.318,436 2.254,437 0.847,438 2.231,439 0.995,440 3.41,441 1.704,442 0.815,443 1.099,445 2.109,446 0.706,447 2.126,448 0.77,449 3.382,450 1.66,451 0.745,452 1.044,454 1.976,455 0.675,456 1.264,457 0.328,458 2.761,459 0.893,460 -0.036,461 -0.043,463 -0.09,464 -0.033,465 14.171,466 0.472,467 0.836,468 0.028,469 41.75,470 1.392,471 22,472 0.733,473 19.75,474 0.658,475 24.111,476 0.804,477 30.829,478 0.701,479 32.469,480 1.082,481 8.282,482 0.276,483 6.226,484 0.208,485 0.092,487 0.416,491 2,493 0.632,494 0.843,495 0.62,496 0.798,497 0.574,498 0.739,499 0.733,500 0.875,501 0.73,502 0.852,503 0.543,504 0.809,505 1.05,506 0.99,507 0.982,508 0.996,509 0.936,510 0.923,511 0.871,512 0.961,513 1.273,514 1.221,515 0.775,516 1.097,517 0.641,518 0.82,519 1.277,520 1.166,521 0.603,522 1.123,523 0.712,524 0.928,525 0.962,526 1.05,527 0.633,528 1.061,529 0.908,530 0.976,531 1.056,532 1.042,533 0.985,534 0.964,535 0.92,536 0.978,537 1.044,538 1.095,539 0.917,540 1.098,541 6,542 0.17,543 4,544 2.375,545 1.992,546 1.226,547 0.629,548 0.603,549 0.3,550 0.238,551 11659,552 41535,553 2.145,554 31.8,556 9,558 1,559 2,561 2,564 1.73,565 2,566 3.454,567 0.276,573 82.673,574 1.879,575 4.058,576 4.786,577 5.278,578 5.323,579 5.323,580 2.927,581 4.574,582 4.877,583 3.601,584 1566.42,585 8.516,586 20873.8,588 1,591 240.215,592 1.429,593 4.837,594 0.176,595 0.007,596 0.08,597 0.044,598 0.038,599 0.027,600 0.016,601 0.015,602 0.009,603 0.009,604 0.424,605 0.33,606 0.75,607 0.715,608 152.272,609 -0.042,610 0.032,611 0.031,612 0.063,613 -0.064,614 0.056,615 -0.015,616 0.005,617 0.07,618 0.076,619 0.052,620 0.051,621 -0.123,622 -0.034,623 -0.021,624 0.014,625 -0.085,626 0.005,627 0.007,628 0.016,629 -0.113,630 -0.099,631 0.06,632 -0.145,633 0.089,634 0.016,635 -0.156,636 -0.086,637 0.041,638 -0.093,639 0.005,640 -0.083,641 0.065,642 -0.049,643 0.012,644 -0.024,645 -0.016,646 -0.043,647 -0.008,648 -0.051,649 -0.068,650 0.007,651 -0.071,652 -0.116,653 -0.086,654 -0.154,655 -0.074,656 -0.091,657 2.391,658 6.311,659 0.833,660 26.96,661 1.033,662 1.125,663 4.341,664 18.843,665 0.728,666 3.555,667 3.932,668 4.263,669 4.585,670 4.828,671 5.043,672 5.209,673 5.384,674 5.565,675 5.677,676 6.517,677 0.719,678 424.46,679 3.555,680 5.13,681 6.014,682 6.923,683 7.824,684 8.738,685 9.647,686 10.564,687 11.476,688 12.394,689 9.1,696 1,697 1,699 2,704 8,705 2,708 1,709 10,710 1,711 22,717 1,729 1,730 2,731 44,733 23,734 2,735 34,737 48,738 21,739 18,740 6,741 6,742 1,746 5,747 8,755 1,758 1,761 19,762 2,766 1,771 1,775 1,778 1,779 2,781 14,782 7,783 2,784 9,785 1,790 4,794 0.6,795 2,811 2,812 2,813 1,816 1,817 1,840 3,842 1,846 2,848 30,849 1,854 2,856 1,865 1,867 1,869 2,870 4.5,873 1,875 1,877 15,878 8.136,879 6.389,880 2.534,881 4.465,882 1.524,883 1.058,884 4.688,885 12.978,886 3.85,887 4.516,888 5.163,889 5.804,890 6.31,891 6.757,892 7.214,893 7.649,894 8.092,895 8.469,896 0.875,897 54,898 11.137,900 5.029,901 8.089,902 20.53,904 17.366,905 2.589,906 77.667,909 1,910 141.253,911 158.905,912 68.122,914 36.145,915 29.92,916 31.278,917 127.628,918 177.398,919 98.043,921 40.024,922 66.334,923 77.397,924 57.194,925 32.637,926 160.76,928 141.253,929 195.75,930 66.065,931 31.278,933 147.631,934 59.687,937 52.747,938 109.554,939 33.449,940 31.278,941 171.173,942 104.267,943 158.905,946 141.253,947 83.953,948 76.729,950 132.411,951 141.253,952 134.187,953 158.905,955 0.595,956 0.355,957 0.197,958 0.107,959 27,960 12,961 0.063,962 3,963 2,964 1.16,965 4.042,966 290.256,967 0.16,968 25,969 147.207,970 1,974 19.042,975 7.385,976 3.357,978 132.411,979 11.742,980 8.423,983 1.465,984 3.806,985 1.355,986 32.897,987 434.346,988 46,993 11.496,997 -0.521,999 45.465,1000 49.503,1001 0.344,1002 0.743,1003 0.877,1004 0.967,1005 0.975,1006 0.975,1007 5.109,1008 1.738,1009 6.023,1010 4.997,1011 4.615,1012 5.204,1013 1.481,1014 6.891,1015 4.508,1016 6.348,1017 1.406,1018 7.617,1019 4.911,1020 4.29,1021 5.085,1023 7.883,1024 4.13,1025 7.679,1026 1.293,1027 9.31,1028 3.591,1029 6.263,1030 7.455,1031 1.37,1032 11.018,1033 6.065,1034 9.048,1035 1.05,1036 11.061,1037 3.094,1038 6.758,1039 8.164,1041 12.838,1042 6.499,1043 10.448,1044 0.911,1045 12.848,1046 2.652,1047 8.208,1048 9.991,1049 1.275,1050 15.489,1051 7.916,1052 11.87,1053 0.815,1054 14.661,1055 2.254,1056 9.064,1057 11.076,1059 17.643,1060 8.706,1061 13.308,1062 0.745,1063 16.492,1064 2.109,1065 10.32,1066 12.682,1067 1.193,1068 20.133,1069 9.924,1070 3.255,1071 -0.036,1072 18.336,1073 1.976,1074 11.338,1075 13.947,1077 22.428,1078 10.875,1079 3.103,1080 11.321,1081 20.191,1082 -0.09,1083 12.522,1084 15.459,1085 1.123,1086 24.862,1087 12.015,1088 2.796,1089 10.813,1090 22.054,1091 4.35,1092 13.613,1093 16.812,1095 27.22,1096 13.041,1097 2.617,1098 8.879,1099 23.924,1100 4.145,1101 14.772,1102 18.284,1103 1.062,1104 29.635,1105 14.15,1106 2.347,1107 8.261,1108 25.8,1109 3.804,1110 15.898,1111 19.682,1113 32.02,1114 15.212,1115 2.09,1116 7.339,1117 27.681,1118 3.532,1119 17.052,1120 21.137,1121 1.01,1122 34.431,1123 16.311,1124 1.814,1125 6.163,1126 29.565,1127 3.111,1128 18.193,1129 22.559,1131 36.829,1132 17.391,1133 10914,1134 20752,1135 22.887,1136 32.023,1137 52.834,1138 53.257,1139 54.1,1140 52.054,1141 51.96,1142 69.694,1143 3.68,1144 156.721,1145 48.982,1146 5.486,1147 5.514,1148 6.345,1149 5.354,1150 5.255,1151 7.35,1152 1.96,1153 18.749,1154 5.067,1155 14.709,1156 1.554,1157 1.566,1158 1.591,1159 1.531,1160 1.528,1161 2.05,1162 0.108,1163 4.609,1164 1.441,1165 4.094,1166 4.119,1167 4.303,1168 4.067,1169 8.211,1170 4.03,1171 3.962,1172 3.989,1173 3.95,1174 3.848,1175 8.191,1176 3.864,1177 3.788,1178 3.811,1179 3.829,1180 3.739,1181 7.437,1182 3.72,1183 3.625,1184 3.676,1185 3.614,1186 3.417,1187 5.08,1188 3.454,1189 3.319,1190 3.354,1191 3.34,1192 3.165,1193 4.917,1194 3.137,1195 3.292,1196 3.346,1197 3.201,1198 3.046,1199 4.809,1200 3.085,1201 2.913,1202 2.964,1203 2.901,1204 2.733,1205 4.464,1206 2.738,1207 2.861,1208 2.918,1209 2.782,1210 2.717,1211 4.417,1212 2.708,1213 0.136,1214 0.103,1215 0.201,1216 0.123,1217 0.096,1218 4.612,1219 0.128,1220 3.514,1221 0.029,1222 6.824,1223 0.333,1224 4.195,1225 0.09,1226 3.255,1227 4.35,1228 0.98,1229 11.321,1230 3.067,1231 1.915,1232 1.905,1233 1.982,1234 2.014,1235 1.167,1236 1.995,1237 1.885,1238 1.859,1239 1.955,1240 1.993,1241 1.096,1242 1.99,1243 1.663,1244 1.63,1245 1.839,1246 1.795,1247 1.053,1248 1.811,1249 1.472,1250 1.466,1251 1.492,1252 1.593,1253 0.716,1254 1.587,1255 1.274,1256 1.245,1257 1.4,1258 1.556,1259 0.526,1260 1.518,1261 1.186,1262 1.104,1263 1.321,1264 1.498,1265 0.226,1266 1.452,1267 0.995,1268 0.939,1269 1.203,1270 1.235,1271 0.192,1272 1.24,1273 0.903,1274 0.871,1275 1.115,1276 1.068,1277 0.151,1278 1.083,1279 4.234,1281 5.595,1282 3.045,1283 7.136,1284 5.416,1285 8.765,1286 7.535,1287 10.441,1291 27.612,1293 5.378,1295 1.1,1297 5.811,1305 31.63,1306 82.673,1307 178.564,1308 210.564,1309 232.215,1310 234.215,1311 234.215,1312 59.454,1313 8.513,1314 83.03,1315 111.27,1316 29,1317 12.905,1318 4.585,1319 3.7,1320 41.557,1321 118,1322 119,1323 0.176,1324 191.738,1325 329.65,1326 459.601,1327 64355,1328 4.5,1329 20.828,1330 0.694,1331 0.542,1332 19.441,1333 16.249,1334 14.508,1335 0.427,1336 0.291,1337 8.977,1338 13.378,1339 8.788,1340 7.173,1341 14.112,1342 9.882,1343 13.645,1344 0.273,1345 0.156,1346 13.1,1347 7.782,1348 11.788,1349 0.168,1350 0.087,1351 11.836,1352 6.061,1353 10.334,1354 0.107,1355 0.048,1356 10.635,1357 4.667,1358 8.226,1359 0.066,1360 0.026,1361 8.756,1362 3.274,1363 0.273,1364 96.083,1365 0.209,1366 27.916,1367 0.494,1368 168,1369 640.801,1370 214.369,1371 585.643,1372 788.24,1373 546,1374 204,1375 562.329,1376 249.918,1377 569.16,1378 843.85,1379 537,1380 7.77}
{0 CHEMBL2322779,1 1.934,2 11.4,3 4.076,4 16.613,5 109.491,6 9.894,7 0.647,8 3.936,9 4.027,10 3.766,11 3.547,12 5.244,13 3.555,14 4.42,15 4.526,16 4.19,17 3.96,18 5.768,19 3.954,20 4.657,21 4.785,22 4.318,23 4.08,24 5.99,25 4.069,26 4.704,27 4.845,28 4.379,29 4.083,30 6.166,31 4.047,32 4.647,33 4.826,34 4.135,35 3.978,36 5.931,37 3.933,38 4.486,39 4.643,40 4.047,41 3.865,42 5.741,43 3.82,44 4.536,45 4.724,46 4.046,47 3.777,48 5.889,49 3.762,50 4.408,51 4.591,52 3.811,53 3.621,54 5.721,55 3.613,56 0.226,57 0.826,58 4.408,59 3.649,60 24.12,61 3.2,62 0.437,63 1.311,64 9.403,65 6.512,66 46.294,67 5.905,68 0.714,69 1.644,70 16.63,71 8.668,72 79.015,73 7.608,74 0.862,75 1.857,76 20.614,77 9.362,78 114.408,79 8.064,80 0.814,81 1.545,82 22.222,83 8.583,84 79.445,85 8.181,86 0.546,87 1.385,88 14.362,89 7.353,90 55.207,91 6.803,92 0.729,93 1.406,94 19.747,95 7.415,96 85.568,97 7.274,98 0.617,99 1.185,100 17.089,101 6.669,102 69.272,103 6.354,104 18,105 50,106 0.329,107 0.725,108 0.845,109 0.899,110 0.899,111 0.899,112 3.441,113 0.86,114 -3.78,115 -3.74,116 -3.56,119 46.5,121 1,125 1,142 5,143 3,144 3,145 1,146 2,152 3,158 1,163 1,164 1,165 1,166 1,168 1,172 5,175 5,177 1,178 2,180 1,183 6,185 1,186 1,187 8,192 4,195 2,197 1,198 1,199 11,201 1,202 1,204 2,207 5,211 1,212 4,214 1,215 1,217 3,220 7,224 2,227 1,232 7,236 2,237 4,240 1,242 4,245 3,247 3,249 2,250 5,255 2,258 3,260 1,263 5,271 2,275 1362,276 20.309,277 20.309,278 20.309,279 20.309,280 20.309,281 17.585,282 13.624,283 11.659,284 20.8,285 16.786,286 16.786,287 16.786,288 16.786,289 16.786,290 12.565,291 11.329,292 5.513,293 17.662,294 3.492,295 1.16,296 0.456,297 0.14,298 0.14,299 0.14,300 4.149,304 1,305 1,306 756,307 2.915,310 115.707,311 145.08,312 67.816,315 97.37,316 112.867,318 1.693,319 46.317,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 67.5,331 342,332 4.612,333 3.514,334 6.824,335 4.204,336 3.255,337 4.35,338 0.98,339 11.321,340 3.094,341 4.459,342 3.338,343 6.686,344 4.067,345 3.103,346 4.145,347 0.86,348 10.813,349 2.98,350 4.181,351 3.252,352 6.107,353 3.77,354 2.796,355 3.804,357 8.879,358 2.728,359 3.991,360 2.951,361 5.944,362 3.586,363 2.617,364 3.532,366 8.261,367 2.51,368 3.723,369 2.74,370 5.653,371 3.31,372 2.347,373 3.111,375 7.339,376 2.252,377 3.432,378 2.577,379 5.168,380 3.03,381 2.09,382 2.737,384 6.163,385 1.944,386 3.12,387 2.185,388 4.794,389 2.721,390 1.814,391 2.34,393 4.997,394 1.627,395 3.021,396 1.997,397 4.715,398 2.663,399 1.738,400 2.147,402 4.911,403 1.591,404 2.831,405 1.878,406 4.176,407 2.366,408 1.406,409 1.966,411 3.591,412 1.337,413 2.795,414 1.558,415 3.903,416 2.282,417 1.293,418 1.829,420 3.094,421 1.264,422 2.461,423 1.199,424 3.78,425 1.998,426 1.05,427 1.426,428 2.652,429 0.987,430 2.375,431 1.007,432 3.685,433 1.886,434 0.911,435 1.318,436 2.254,437 0.883,438 2.231,439 0.971,440 3.41,441 1.7,442 0.815,443 1.099,445 2.109,446 0.704,447 2.126,448 0.77,449 3.382,450 1.673,451 0.745,452 1.044,454 1.976,455 0.683,456 1.264,457 0.318,458 2.761,459 0.887,460 -0.036,461 -0.043,463 -0.09,464 -0.033,465 14.071,466 0.469,467 0.836,468 0.028,469 41.5,470 1.383,471 22,472 0.733,473 19.5,474 0.65,475 24.255,476 0.809,477 30.929,478 0.719,479 32.325,480 1.078,481 8.266,482 0.276,483 6.242,484 0.208,485 0.093,487 0.426,491 2,493 0.635,494 0.761,495 0.621,496 0.744,497 0.576,498 0.695,499 0.746,500 0.897,501 0.723,502 0.859,503 0.557,504 0.804,505 1.062,506 1.065,507 0.992,508 1.042,509 0.962,510 0.957,511 0.808,512 1.036,513 1.253,514 1.304,515 0.765,516 1.138,517 0.734,518 0.781,519 1.225,520 1,521 0.587,522 0.978,523 0.764,524 0.989,525 1.06,526 1.162,527 0.686,528 1.191,529 0.842,530 0.886,531 1.031,532 1.039,533 0.951,534 0.974,535 0.961,536 1.012,537 1.051,538 1.093,539 0.941,540 1.09,541 6,542 0.17,543 4,544 2.375,545 1.992,546 1.226,547 0.629,548 0.603,549 0.3,550 0.238,551 11659,552 43007,553 2.145,554 30.2,556 7,558 1,559 3,561 2,564 1.73,565 2,566 3.454,567 0.966,569 1,573 83.175,574 1.934,575 4.266,576 4.97,577 5.287,578 5.287,579 5.287,580 2.927,581 4.574,582 4.877,583 3.601,584 1566.42,585 8.516,586 20873.8,588 1,590 1,591 233.329,592 1.429,593 4.837,594 0.176,595 0.007,596 0.08,597 0.044,598 0.038,599 0.027,600 0.016,601 0.015,602 0.009,603 0.009,604 0.424,605 0.5,606 0.88,607 0.715,608 152.272,609 -0.037,610 0.131,611 0.019,612 0.121,613 -0.058,614 0.094,615 -0.037,616 -0.016,617 0.07,618 0.086,619 0.046,620 0.07,621 -0.143,622 -0.11,623 -0.034,624 -0.017,625 -0.103,626 -0.021,627 0.062,628 -0.049,629 -0.078,630 -0.17,631 0.082,632 -0.182,633 0.026,634 0.079,635 -0.121,636 0.04,637 0.039,638 0.036,639 -0.028,640 -0.102,641 -0.082,642 -0.164,643 -0.021,644 -0.215,645 0.038,646 0.017,647 0.051,648 -0.037,649 -0.047,650 0.042,651 -0.065,652 -0.157,653 -0.065,654 -0.145,655 -0.08,656 -0.07,657 2.386,658 6.308,659 0.833,660 26.96,661 1.039,662 1.13,663 2.551,664 6.507,665 0.727,666 3.555,667 3.932,668 4.263,669 4.585,670 4.828,671 5.043,672 5.209,673 5.384,674 5.565,675 5.677,676 6.517,677 0.724,678 425.45,679 3.555,680 5.13,681 6.014,682 6.923,683 7.824,684 8.738,685 9.647,686 10.564,687 11.476,688 12.394,689 11.6,696 1,697 1,699 3,704 6,705 3,706 1,708 1,709 11,711 22,717 1,729 1,730 2,731 43,733 23,734 1,735 34,737 47,738 20,739 17,740 3,741 3,742 1,746 5,747 8,755 1,758 1,761 18,762 2,766 1,771 1,775 1,778 1,779 2,781 13,782 8,783 3,784 10,785 1,790 5,794 0.6,795 2,805 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,846 2,848 30,849 1,854 2,856 1,865 1,867 1,869 2,870 4.7,873 1,875 1,877 15,878 7.969,879 6.389,880 2.46,881 4.465,882 1.524,883 1.061,884 4.65,885 12.978,886 3.85,887 4.516,888 5.163,889 5.804,890 6.31,891 6.757,892 7.214,893 7.649,894 8.092,895 8.469,896 0.875,897 54,898 11.129,900 5.048,901 8.128,902 20.393,904 17.242,905 2.628,906 78.833,909 1,910 117.711,911 143.567,912 99.549,914 36.145,915 29.92,916 31.278,917 112.289,918 153.856,919 129.469,921 40.024,922 47.381,923 91.61,924 75.266,925 35.394,926 137.218,928 117.711,929 211.839,930 66.065,931 31.278,933 124.089,934 59.687,937 71.248,938 90.602,939 49.989,940 31.278,941 147.631,942 135.694,943 143.567,946 117.711,947 87.138,948 56.429,949 16.663,950 148.951,951 117.711,952 165.614,953 143.567,955 0.595,956 0.355,957 0.197,958 0.107,959 27,960 12,961 0.064,962 3,963 2,964 1.16,965 4.042,966 290.256,967 0.16,968 25,969 147.207,970 1,974 18.981,975 7.349,976 3.338,978 148.951,979 8.259,980 12.201,981 2.811,983 1.415,984 3.561,986 49.56,987 426.892,988 46,993 11.456,997 -0.584,999 44.683,1000 48.586,1001 0.356,1002 0.786,1003 0.916,1004 0.974,1005 0.974,1006 0.974,1007 5.109,1008 1.738,1009 6.023,1010 4.997,1011 4.615,1012 5.204,1013 1.481,1014 6.891,1015 4.516,1016 6.348,1017 1.406,1018 7.617,1019 4.911,1020 4.29,1021 5.085,1023 7.883,1024 4.148,1025 7.679,1026 1.293,1027 9.31,1028 3.591,1029 6.263,1030 7.455,1031 1.37,1032 11.018,1033 6.085,1034 9.048,1035 1.05,1036 11.061,1037 3.094,1038 6.758,1039 8.164,1041 12.838,1042 6.532,1043 10.448,1044 0.911,1045 12.848,1046 2.652,1047 8.208,1048 9.991,1049 1.275,1050 15.489,1051 7.951,1052 11.87,1053 0.815,1054 14.661,1055 2.254,1056 9.064,1057 11.076,1059 17.643,1060 8.755,1061 13.308,1062 0.745,1063 16.492,1064 2.109,1065 10.32,1066 12.682,1067 1.193,1068 20.133,1069 9.977,1070 3.255,1071 -0.036,1072 18.336,1073 1.976,1074 11.338,1075 13.947,1077 22.428,1078 10.942,1079 3.103,1080 11.321,1081 20.191,1082 -0.09,1083 12.522,1084 15.459,1085 1.123,1086 24.862,1087 12.086,1088 2.796,1089 10.813,1090 22.054,1091 4.35,1092 13.613,1093 16.812,1095 27.22,1096 13.125,1097 2.617,1098 8.879,1099 23.924,1100 4.145,1101 14.772,1102 18.284,1103 1.062,1104 29.635,1105 14.241,1106 2.347,1107 8.261,1108 25.8,1109 3.804,1110 15.898,1111 19.682,1113 32.02,1114 15.315,1115 2.09,1116 7.339,1117 27.681,1118 3.532,1119 17.052,1120 21.137,1121 1.01,1122 34.431,1123 16.422,1124 1.814,1125 6.163,1126 29.565,1127 3.111,1128 18.193,1129 22.559,1131 36.829,1132 17.513,1133 10914,1134 21112,1135 22.887,1136 31.267,1137 52.834,1138 53.255,1139 54.1,1140 52.078,1141 51.96,1142 69.694,1143 3.68,1144 156.721,1145 49.168,1146 5.486,1147 5.514,1148 6.345,1149 5.361,1150 5.255,1151 7.35,1152 1.96,1153 18.749,1154 5.094,1155 14.709,1156 1.554,1157 1.566,1158 1.591,1159 1.532,1160 1.528,1161 2.05,1162 0.108,1163 4.609,1164 1.446,1165 4.085,1166 4.109,1167 4.302,1168 4.056,1169 8.211,1170 4.019,1171 3.946,1172 3.973,1173 3.938,1174 3.855,1175 8.191,1176 3.861,1177 3.788,1178 3.819,1179 3.819,1180 3.703,1181 7.437,1182 3.699,1183 3.628,1184 3.682,1185 3.621,1186 3.423,1187 5.149,1188 3.454,1189 3.314,1190 3.348,1191 3.339,1192 3.152,1193 4.964,1194 3.125,1195 3.265,1196 3.328,1197 3.184,1198 3.004,1199 4.847,1200 3.046,1201 2.916,1202 2.966,1203 2.906,1204 2.733,1205 4.468,1206 2.737,1207 2.866,1208 2.925,1209 2.766,1210 2.667,1211 4.459,1212 2.698,1213 0.136,1214 0.103,1215 0.201,1216 0.124,1217 0.096,1218 4.612,1219 0.128,1220 3.514,1221 0.029,1222 6.824,1223 0.333,1224 4.204,1225 0.091,1226 3.255,1227 4.35,1228 0.98,1229 11.321,1230 3.094,1231 1.897,1232 1.879,1233 1.964,1234 1.988,1235 1.143,1236 1.981,1237 1.854,1238 1.837,1239 1.905,1240 1.978,1241 1.083,1242 1.959,1243 1.668,1244 1.635,1245 1.841,1246 1.802,1247 1,1248 1.814,1249 1.509,1250 1.498,1251 1.551,1252 1.675,1253 0.768,1254 1.655,1255 1.27,1256 1.245,1257 1.391,1258 1.55,1259 0.526,1260 1.509,1261 1.07,1262 1.016,1263 1.22,1264 1.432,1265 0.256,1266 1.37,1267 0.974,1268 0.883,1269 1.152,1270 1.226,1271 0.151,1272 1.228,1273 0.901,1274 0.845,1275 1.105,1276 1.068,1277 0.033,1278 1.09,1279 4.234,1281 5.595,1282 3.045,1283 7.136,1284 5.416,1285 8.765,1286 7.535,1287 10.441,1291 27.603,1293 5.338,1295 1.024,1297 5.749,1305 31.124,1306 83.175,1307 183.455,1308 213.72,1309 227.329,1310 227.329,1311 227.329,1312 62.32,1313 8.513,1314 106.78,1315 135.02,1316 29,1317 12.905,1318 4.585,1319 3.7,1320 41.557,1321 118,1322 119,1323 0.176,1324 188.94,1325 323.35,1326 452.774,1327 64355,1328 4.7,1329 20.828,1330 0.694,1331 0.536,1332 19.441,1333 16.094,1334 14.508,1335 0.427,1336 0.287,1337 8.84,1338 13.334,1339 8.663,1340 7.067,1341 14.112,1342 9.752,1343 13.645,1344 0.273,1345 0.154,1346 13.1,1347 7.71,1348 11.788,1349 0.168,1350 0.085,1351 11.836,1352 5.973,1353 10.334,1354 0.107,1355 0.047,1356 10.635,1357 4.546,1358 8.226,1359 0.066,1360 0.026,1361 8.756,1362 3.167,1363 0.273,1364 96.499,1365 0.209,1366 27.916,1367 0.494,1368 168,1369 657.134,1370 214.674,1371 601.758,1372 807.39,1373 560,1374 204,1375 575.907,1376 250.237,1377 582.699,1378 859.86,1379 549,1380 6.301}
{0 CHEMBL2322780,1 1.739,2 10.759,3 5.09,4 25.911,5 116.901,6 9.376,7 0.667,8 3.946,9 4.035,10 3.75,11 3.633,12 5.127,13 3.597,14 4.436,15 4.543,16 4.176,17 4.062,18 5.621,19 4.002,20 4.68,21 4.811,22 4.316,23 4.218,24 5.806,25 4.136,26 4.739,27 4.873,28 4.365,29 4.251,30 5.869,31 4.14,32 4.734,33 4.903,34 4.192,35 4.147,36 5.856,37 4.034,38 4.594,39 4.784,40 4.075,41 4.008,42 5.602,43 3.886,44 4.548,45 4.735,46 3.994,47 3.91,48 5.663,49 3.821,50 4.472,51 4.668,52 3.736,53 3.783,54 5.568,55 3.689,56 0.089,57 0.616,58 5.969,59 3.675,60 10.447,61 4.006,62 0.189,63 0.975,64 12.038,65 6.715,66 26.259,67 7.33,68 0.274,69 1.226,70 20.987,71 9.522,72 31.385,73 10.211,74 0.299,75 1.369,76 27.464,77 10.987,78 33.755,79 11.106,80 0.513,81 1.353,82 29.884,83 10.893,84 49.081,85 11.755,86 0.277,87 1.195,88 25.078,89 9.182,90 28.389,91 10.33,92 0.359,93 1.168,94 22.853,95 8.365,96 38.098,97 9.025,98 0.317,99 1.042,100 20.326,101 7.91,102 36.741,103 8.819,104 11,105 48,106 0.293,107 0.644,108 0.788,109 0.878,110 0.904,111 0.904,112 3.409,113 0.936,114 -4.93,115 -4.84,116 -4.54,119 48.9,121 1,125 1,142 8,143 5,144 2,145 1,152 3,158 1,163 1,164 1,165 1,168 1,172 11,175 5,177 1,178 1,180 2,183 16,185 1,187 6,192 5,195 16,197 2,199 7,204 3,207 12,209 1,211 1,212 5,214 1,215 1,217 6,220 11,222 1,224 3,229 2,232 11,237 5,240 1,242 5,245 10,247 3,249 1,250 4,255 2,258 11,260 1,263 2,271 8,275 1209,276 19.861,277 19.861,278 19.861,279 19.861,280 19.861,281 17.162,282 11.97,283 11.526,284 20.296,285 16.303,286 16.303,287 16.303,288 16.303,289 16.303,290 12.155,291 9.983,292 5.44,293 17.088,294 3.752,295 1.673,296 0.817,297 0.283,298 0.133,299 0.133,300 4.12,301 1,304 1,305 1,306 693,307 2.828,310 109.409,311 137.892,312 64.386,315 92.544,316 107.149,318 1.646,319 25.388,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 61.833,331 312,332 4.61,333 3.514,334 6.822,335 4.207,336 3.253,337 4.346,338 0.98,339 11.317,340 3.105,341 4.451,342 3.328,343 6.684,344 4.067,345 3.095,346 4.13,347 0.86,348 10.807,349 3.004,350 4.164,351 3.23,352 6.097,353 3.761,354 2.783,355 3.774,357 8.842,358 2.724,359 3.937,360 2.896,361 5.937,362 3.529,363 2.57,364 3.45,366 8.214,367 2.434,368 3.693,369 2.646,370 5.646,371 3.275,372 2.308,373 3.089,375 7.295,376 2.218,377 3.189,378 2.185,379 5.021,380 2.776,381 1.839,382 2.416,384 5.457,385 1.704,386 3.021,387 2.004,388 4.721,389 2.724,390 1.8,391 2.148,393 4.938,394 1.644,395 2.877,396 1.878,397 4.194,398 2.383,399 1.414,400 2.048,402 3.584,403 1.364,404 2.83,405 1.639,406 3.901,407 2.331,408 1.401,409 1.964,411 3.094,412 1.29,413 2.795,414 1.411,415 3.777,416 2.302,417 1.293,418 1.829,420 2.988,421 1.231,422 2.461,423 1.198,424 3.675,425 2.019,426 1.05,427 1.426,428 2.629,429 1.008,430 2.301,431 1.007,432 3.553,433 1.801,434 0.821,435 1.204,436 2.114,437 0.799,438 2.229,439 0.825,440 3.398,441 1.705,442 0.807,443 1.096,445 2.038,446 0.707,447 2.126,448 0.765,449 3.375,450 1.666,451 0.743,452 1.044,454 1.957,455 0.678,456 1.19,457 0.299,458 2.76,459 0.885,460 -0.051,461 -0.059,463 -0.13,464 -0.047,465 14.414,466 0.497,467 0.73,468 0.025,469 40.25,470 1.388,471 22,472 0.759,473 18.25,474 0.629,475 24.359,476 0.84,477 28.786,478 0.64,479 29.065,480 1.002,481 7.82,482 0.27,483 6.295,484 0.217,485 0.1,487 0.382,493 0.722,494 0.786,495 0.599,496 0.687,497 0.682,498 0.686,499 0.821,500 0.899,501 0.698,502 0.786,503 0.543,504 0.794,505 1.057,506 0.978,507 0.929,508 0.954,509 0.865,510 0.918,511 1.007,512 1.212,513 1.287,514 1.314,515 0.925,516 1.124,517 0.798,518 1.085,519 1.232,520 1.205,521 0.702,522 1.105,523 0.823,524 1.073,525 0.861,526 0.966,527 0.665,528 1.02,529 0.996,530 1.049,531 0.993,532 1.029,533 1.204,534 0.975,535 1.036,536 1.012,537 0.945,538 1.008,539 1.068,540 1.041,541 5,542 0.128,543 3.778,544 2.188,545 1.801,546 1.115,547 0.509,548 0.5,549 0.281,550 0.182,551 10662,552 33204,553 2.171,554 35.6,556 10,558 1,559 3,561 2,564 1.721,565 2.047,566 3.389,567 0.891,573 78.271,574 1.739,575 3.819,576 4.675,577 5.208,578 5.359,579 5.359,580 2.879,581 4.582,582 4.829,583 3.541,584 1437.45,585 8.421,586 18645,588 1,591 247.133,592 1.361,593 4.797,594 0.152,595 0.006,596 0.079,597 0.042,598 0.036,599 0.025,600 0.014,601 0.014,602 0.009,603 0.008,604 0.384,605 0.33,606 0.88,607 0.674,608 145.244,609 -0.036,610 0.231,611 0.019,612 0.123,613 -0.095,614 0.092,615 -0.016,616 0.072,617 0.045,618 0.109,619 0.086,620 0.058,621 -0.11,622 -0.038,623 -0.001,624 0.033,625 -0.042,626 0.011,627 -0.099,628 -0.203,629 -0.132,630 -0.186,631 -0.086,632 -0.166,633 0.121,634 -0.073,635 -0.135,636 -0.138,637 0.066,638 -0.113,639 -0.053,640 -0.067,641 0.086,642 0.031,643 -0.025,644 -0.016,645 -0.039,646 0.001,647 -0.018,648 -0.032,649 -0.116,650 0.002,651 -0.063,652 -0.019,653 -0.082,654 -0.057,655 -0.066,656 -0.044,657 2.13,658 4.525,659 0.862,660 25.313,661 1.012,662 1.104,663 3.704,664 13.717,665 0.75,666 3.526,667 3.892,668 4.234,669 4.554,670 4.796,671 4.997,672 5.176,673 5.347,674 5.533,675 5.642,676 6.292,677 0.715,678 421.93,679 3.526,680 5.094,681 5.979,682 6.884,683 7.788,684 8.699,685 9.609,686 10.524,687 11.438,688 12.354,689 6.7,696 1,697 1,699 1,704 9,705 1,706 1,708 1,709 10,711 22,717 1,729 1,730 1,731 45,733 23,734 2,735 33,737 49,738 22,739 19,740 5,741 7,742 1,746 5,747 8,748 1,755 1,758 1,761 20,762 2,766 1,771 1,775 1,781 16,782 4,783 3,784 7,785 2,790 3,794 0.6,795 2,803 1,811 2,812 2,813 1,816 1,817 1,840 3,842 1,845 1,848 29,849 1,854 2,856 1,865 1,869 1,870 4.4,873 1,875 1,877 14.167,878 8.176,879 6.222,880 2.618,881 4.442,882 1.528,883 1.062,884 4.742,885 12.861,886 3.829,887 4.483,888 5.137,889 5.776,890 6.279,891 6.709,892 7.183,893 7.612,894 8.056,895 8.437,896 1,897 52,898 10.679,900 4.69,901 7.751,902 20.372,904 17.349,905 2.251,906 65.278,909 1,910 153.024,911 158.112,912 66.223,913 39.149,914 36.145,916 31.278,917 126.834,918 228.318,919 66.223,921 40.024,922 75.81,923 58.284,924 61.382,925 5.474,926 172.531,927 39.149,928 153.024,929 193.058,930 36.145,931 70.426,933 129.482,934 59.687,937 65.735,938 110.66,939 55.812,940 31.278,941 153.024,942 102.368,943 197.261,946 153.024,947 73.255,948 84.857,949 16.663,950 124.854,951 153.024,952 102.368,953 197.261,955 0.59,956 0.357,957 0.199,958 0.107,959 26,960 11,961 0.061,962 3,963 2,964 1.16,965 3.985,966 277.526,967 0.16,968 25,969 140.881,970 1,974 18.554,975 7.412,976 3.292,978 85.705,979 17.086,980 4.263,981 3.13,983 1.668,984 9.038,986 49.56,987 452.653,988 45,993 11.525,997 -0.463,999 45.545,1000 49.684,1001 0.317,1002 0.695,1003 0.851,1004 0.948,1005 0.976,1006 0.976,1007 5.078,1008 1.414,1009 5.979,1010 4.938,1011 4.575,1012 5.17,1013 1.481,1014 6.845,1015 4.484,1016 6.309,1017 1.401,1018 7.57,1019 3.584,1020 4.205,1021 4.997,1023 7.842,1024 4.069,1025 7.635,1026 1.293,1027 9.263,1028 3.094,1029 6.217,1030 7.413,1031 1.37,1032 10.985,1033 6.058,1034 9,1035 1.05,1036 11.017,1037 2.988,1038 6.698,1039 8.1,1041 12.818,1042 6.491,1043 10.398,1044 0.821,1045 12.809,1046 2.629,1047 8.165,1048 9.948,1049 1.275,1050 15.469,1051 7.939,1052 11.821,1053 0.807,1054 14.627,1055 2.114,1056 9.019,1057 11.023,1059 17.631,1060 8.742,1061 13.261,1062 0.743,1063 16.462,1064 2.038,1065 10.283,1066 12.639,1067 1.193,1068 20.12,1069 9.981,1070 3.253,1071 -0.051,1072 18.311,1073 1.957,1074 11.301,1075 13.9,1077 22.419,1078 10.951,1079 3.095,1080 11.317,1081 20.169,1082 -0.13,1083 12.489,1084 15.417,1085 1.123,1086 24.852,1087 12.107,1088 2.783,1089 10.807,1090 22.036,1091 4.346,1092 13.581,1093 16.768,1095 27.211,1096 13.152,1097 2.57,1098 8.842,1099 23.908,1100 4.13,1101 14.743,1102 18.242,1103 1.062,1104 29.626,1105 14.277,1106 2.308,1107 8.214,1108 25.786,1109 3.774,1110 15.869,1111 19.639,1113 32.012,1114 15.357,1115 1.839,1116 7.295,1117 27.668,1118 3.45,1119 17.024,1120 21.096,1121 1.01,1122 34.422,1123 16.473,1124 1.8,1125 5.457,1126 29.554,1127 3.089,1128 18.166,1129 22.517,1131 36.82,1132 17.57,1133 9930,1134 17645,1135 22.482,1136 33.762,1137 51.187,1138 51.503,1139 52.148,1140 50.534,1141 50.357,1142 67.929,1143 3.68,1144 150.545,1145 47.823,1146 5.484,1147 5.514,1148 6.507,1149 5.363,1150 5.253,1151 7.346,1152 1.96,1153 18.731,1154 5.105,1155 12.399,1156 1.551,1157 1.561,1158 1.58,1159 1.531,1160 1.526,1161 2.058,1162 0.112,1163 4.562,1164 1.449,1165 4.099,1166 4.116,1167 4.306,1168 4.084,1169 7.437,1170 4.047,1171 3.958,1172 3.979,1173 4.027,1174 3.897,1175 5.06,1176 3.894,1177 3.789,1178 3.815,1179 3.842,1180 3.744,1181 4.917,1182 3.724,1183 3.645,1184 3.691,1185 3.669,1186 3.498,1187 4.867,1188 3.51,1189 3.322,1190 3.355,1191 3.341,1192 3.177,1193 4.806,1194 3.145,1195 3.292,1196 3.347,1197 3.287,1198 3.049,1199 4.431,1200 3.087,1201 2.881,1202 2.922,1203 3.201,1204 2.803,1205 4.337,1206 2.775,1207 2.844,1208 2.898,1209 2.782,1210 2.719,1211 4.281,1212 2.708,1213 0.14,1214 0.106,1215 0.207,1216 0.127,1217 0.099,1218 4.61,1219 0.132,1220 3.514,1221 0.03,1222 6.822,1223 0.343,1224 4.207,1225 0.094,1226 3.253,1227 4.346,1228 0.98,1229 11.317,1230 3.105,1231 1.919,1232 1.907,1233 1.993,1234 1.993,1235 1.167,1236 1.992,1237 1.912,1238 1.897,1239 1.982,1240 1.971,1241 1.133,1242 1.985,1243 1.669,1244 1.637,1245 1.842,1246 1.802,1247 1.087,1248 1.815,1249 1.518,1250 1.507,1251 1.573,1252 1.678,1253 0.795,1254 1.657,1255 1.283,1256 1.257,1257 1.422,1258 1.557,1259 0.527,1260 1.518,1261 1.262,1262 1.198,1263 1.401,1264 1.502,1265 0.432,1266 1.497,1267 1.009,1268 0.944,1269 1.247,1270 1.244,1271 0.199,1272 1.254,1273 0.923,1274 0.881,1275 1.115,1276 1.042,1277 0.173,1278 1.1,1279 4.205,1281 5.557,1282 3.045,1283 7.096,1284 5.416,1285 8.722,1286 7.535,1287 10.397,1290 6.412,1293 5.419,1295 1.32,1297 5.881,1305 32.196,1306 78.271,1307 171.849,1308 210.379,1309 234.379,1310 241.133,1311 241.133,1312 42.642,1313 8.419,1314 81,1315 109.24,1316 29,1317 12.866,1318 4.585,1319 3.7,1320 39.543,1321 111,1322 106,1323 0.18,1324 200.473,1325 339.02,1326 480.914,1327 57452,1328 2.2,1329 19.957,1330 0.688,1331 0.58,1332 20.811,1333 16.81,1334 14.114,1335 0.428,1336 0.312,1337 9.112,1338 13.002,1339 8.83,1340 7.236,1341 14.811,1342 10.294,1343 13.012,1344 0.271,1345 0.172,1346 13.998,1347 8.237,1348 11.468,1349 0.169,1350 0.096,1351 12.667,1352 6.556,1353 9.99,1354 0.106,1355 0.054,1356 11.309,1357 5.064,1358 8.077,1359 0.067,1360 0.03,1361 9.261,1362 3.544,1363 0.277,1364 94.671,1365 0.211,1366 27.091,1367 0.507,1368 162,1369 463.825,1370 213.035,1371 504.469,1372 689.62,1373 472,1374 197,1375 477.641,1376 243.938,1377 511.041,1378 756.24,1379 483,1380 7.553}
{0 CHEMBL2323113,1 1.838,2 10.125,3 3.345,4 11.188,5 113.975,6 8.136,7 0.444,8 4.163,9 4.278,10 3.805,11 3.548,12 5.265,13 3.598,14 4.768,15 4.952,16 4.193,17 3.932,18 6.022,19 3.973,20 4.908,21 5.112,22 4.244,23 4.08,24 6.017,25 4.083,26 4.944,27 5.164,28 4.265,29 4.102,30 6.072,31 4.099,32 4.95,33 5.176,34 4.327,35 4.066,36 6.227,37 4.088,38 4.925,39 5.125,40 4.338,41 4.059,42 6.135,43 4.118,44 5.001,45 5.189,46 4.373,47 4.194,48 6.26,49 4.193,50 5.163,51 5.368,52 4.297,53 4.345,54 6.177,55 4.28,56 0.219,57 0.982,58 10.078,59 4.295,60 16.989,61 5.576,62 1.092,63 1.596,64 24.869,65 7.25,66 90.137,67 9.109,68 1.059,69 1.702,70 28.682,71 7.621,72 59.52,73 11.634,74 0.847,75 1.881,76 28.956,77 8.657,78 55.815,79 12.48,80 1.091,81 1.917,82 30.497,83 7.436,84 87.105,85 11.865,86 0.934,87 2.034,88 27.751,89 6.862,90 61.093,91 9.329,92 1.552,93 2,94 30.16,95 8.423,96 85.637,97 11.864,98 0.798,99 2.311,100 35.292,101 14.226,102 67.664,103 18.635,104 14,105 51,106 0.303,107 0.561,108 0.695,109 0.717,110 0.717,111 0.717,112 3.503,113 0.867,114 -4.3,115 -4.23,116 -4,119 36.4,124 1,125 8,128 1,142 3,144 1,146 1,150 3,152 1,161 1,172 1,174 10,175 4,183 1,186 2,187 4,195 1,198 9,199 3,211 5,212 4,223 3,224 3,236 8,237 6,262 5,263 2,275 1792,276 22.093,277 22.093,278 22.093,279 22.093,280 22.093,281 20.404,282 34.068,283 13.077,284 23.288,285 17.769,286 17.769,287 17.769,288 17.769,289 17.769,290 14.919,291 49.549,292 6.182,293 19.636,294 3.943,295 2.376,296 1.568,297 1.432,298 1.432,299 1.432,300 4.213,304 1,305 1,306 712,307 3,310 65.459,311 364.123,314 124.752,318 1.398,319 47.103,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.5,331 324,332 4.725,333 3.657,334 7.007,335 4.25,336 3.324,337 4.658,338 2.375,339 11.994,340 3.084,341 4.283,342 3.252,343 6.301,344 3.887,345 2.978,346 3.905,347 0.86,348 9.647,349 2.705,350 3.917,351 3.075,352 6.016,353 3.591,354 2.684,355 3.372,356 0.86,357 8.629,358 2.432,359 3.795,360 3.013,361 5.904,362 3.522,363 2.587,364 2.972,365 0.86,366 8.162,367 2.405,368 3.514,369 2.787,370 5.6,371 3.195,372 2.309,373 2.772,374 0.8,375 7.141,376 2.041,377 3.443,378 2.439,379 5.213,380 3.048,381 2.129,382 2.71,383 0.8,384 6.38,385 1.946,386 3.082,387 2.25,388 4.728,389 2.749,390 1.846,391 2.262,393 4.991,394 1.663,395 2.896,396 2.228,397 4.426,398 2.577,399 1.697,400 1.986,402 4.166,403 1.488,404 2.838,405 1.695,406 4.283,407 2.437,408 1.491,409 1.879,411 4.065,412 1.404,413 2.388,414 1.617,415 4.003,416 2.053,417 1.203,418 1.368,420 2.925,421 1.014,422 2.229,423 1.355,424 3.511,425 1.952,426 1.042,427 1.207,428 2.641,429 0.946,430 2.166,431 1.288,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.058,439 1.256,440 3.386,441 1.887,442 1,443 1,445 2.136,446 0.868,447 2,448 1.256,449 3.247,450 1.869,451 1,452 1,454 2.136,455 0.866,456 2,457 1.08,458 3.247,459 1.571,460 0.665,461 0.891,463 1.597,464 0.596,465 14.371,466 0.449,467 0.709,468 0.022,469 39.75,470 1.242,471 15.5,472 0.484,473 24.25,474 0.758,475 28.809,476 0.9,477 36.629,478 0.666,479 33.475,480 1.046,481 8.057,482 0.252,483 7.578,484 0.237,485 0.075,487 0.362,489 2,493 0.763,494 1.521,495 0.654,496 1.432,497 0.584,498 1.09,499 1.064,500 0.768,501 0.895,502 0.772,503 0.708,504 0.781,505 0.786,506 0.88,507 0.856,508 0.872,509 0.523,510 0.884,511 0.694,512 1.072,513 0.845,514 1.049,515 0.729,516 0.995,517 0.693,518 1.06,519 0.736,520 0.878,521 0.721,522 0.813,523 1.279,524 1.426,525 1.048,526 1.014,527 1.302,528 0.919,529 0.73,530 0.745,531 1.078,532 0.868,533 0.824,534 1.027,535 0.731,536 1.29,537 1.012,538 1.538,539 0.797,540 1.417,541 5.5,542 0.16,543 3.111,544 2.167,545 1.824,546 1.33,547 1.145,548 0.688,549 0.351,550 0.271,551 12783,552 39472,553 2.154,554 41.8,556 22,557 1,564 1.755,565 2.043,566 3.256,567 -0.619,569 1,573 101.088,574 1.838,575 3.405,576 4.213,577 4.349,578 4.349,579 4.349,580 2.715,581 4.188,582 4.97,583 3.425,584 1698.84,585 8.755,586 23814.8,588 1,591 317.975,592 1.317,593 4.943,594 0.153,595 0.008,596 0.061,597 0.04,598 0.034,599 0.023,600 0.02,601 0.012,602 0.007,603 0.007,604 0.365,605 0.17,606 0.88,607 0.726,608 163.668,609 -0.074,610 -0.426,611 0.08,612 -0.298,613 -0.05,614 -0.104,615 -0.033,616 0.24,617 0.026,618 0.187,619 0.124,620 0.125,621 0.008,622 0.016,623 0.039,624 0.093,625 0.057,626 0.071,627 0.01,628 -0.101,629 0.041,630 -0.088,631 -0.026,632 -0.032,633 0.129,634 -0.054,635 0.194,636 0.05,637 0.149,638 0.126,639 -0.275,640 -0.212,641 -0.135,642 -0.087,643 -0.153,644 -0.047,645 0.223,646 0.392,647 -0.19,648 0.097,649 0.125,650 -0.127,651 -0.011,652 -0.284,653 -0.134,654 -0.417,655 -0.001,656 -0.34,657 4.149,658 6.005,659 0.844,660 29.563,661 1.03,662 1.155,663 3.068,664 9.415,665 0.639,666 3.611,667 3.951,668 4.277,669 4.605,670 4.913,671 5.063,672 5.308,673 5.497,674 5.602,675 5.694,676 6.148,677 0.633,678 447.5,679 3.611,680 5.165,681 6.038,682 6.936,683 7.834,684 8.744,685 9.653,686 10.569,687 11.485,688 12.405,689 12.7,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 55,733 16,734 1,735 36,737 59,738 20,739 10,740 3,741 3,745 1,746 5,747 6,752 1,761 10,762 10,778 1,779 2,781 23,782 11,784 12,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 1,846 2,848 32,854 8,856 3,858 1,859 2,869 2,870 5.5,874 2,875 1,877 15.667,878 10.269,879 7.028,880 3.277,881 3.257,882 1.4,883 0.993,884 6.153,885 11.396,886 3.807,887 4.404,888 5.046,889 5.712,890 6.325,891 6.773,892 7.283,893 7.747,894 8.043,895 8.388,896 0.857,897 54,898 12.016,900 5.298,901 7.922,902 22.39,904 18.404,905 2.422,906 77.5,909 1,910 270.735,911 91.776,912 75.29,914 33,915 29.92,917 91.776,918 303.735,919 105.21,920 10.883,921 26.792,922 36.543,923 91.47,924 56.455,925 19.613,926 258.964,928 270.735,929 167.066,930 62.92,933 270.735,934 40.92,935 22,936 8.115,937 38.861,938 52.948,939 67.142,941 300.656,942 108.29,943 91.776,946 278.85,947 44.349,948 47.46,950 130.062,951 270.735,952 138.21,953 91.776,955 0.578,956 0.345,957 0.196,958 0.117,959 26,960 11,961 0.068,962 4,963 1,964 1.074,965 4.167,966 318.004,967 0.074,968 27,969 134,974 21.407,975 9.198,976 4.291,977 0.842,978 136.311,979 4.993,980 17.954,984 1.054,985 1.301,987 500.721,988 44,999 56.672,1000 63.533,1001 0.318,1002 0.589,1003 0.729,1004 0.752,1005 0.752,1006 0.752,1007 5.069,1008 1.697,1009 6.023,1010 4.991,1011 4.635,1012 5.091,1013 2.774,1014 6.87,1015 4.448,1016 6.258,1017 1.491,1018 7.597,1019 4.166,1020 4.205,1021 4.945,1022 2.404,1023 7.83,1024 3.925,1025 7.569,1026 1.203,1027 9.274,1028 4.065,1029 6.252,1030 7.31,1031 3.756,1032 10.98,1033 5.9,1034 8.92,1035 1.042,1036 11.014,1037 2.925,1038 6.673,1039 8.051,1040 4.231,1041 12.808,1042 6.232,1043 10.31,1044 1,1045 12.794,1046 2.641,1047 8.176,1048 9.9,1049 5.276,1050 15.478,1051 7.665,1052 11.728,1053 1,1054 14.602,1055 2.509,1056 8.994,1057 11.056,1058 6.014,1059 17.673,1060 8.4,1061 13.168,1062 1,1063 16.431,1064 2.136,1065 10.28,1066 12.703,1067 6.949,1068 20.192,1069 9.617,1070 3.324,1071 0.665,1072 18.277,1073 2.136,1074 11.288,1075 14.058,1076 7.767,1077 22.547,1078 10.545,1079 2.978,1080 11.994,1081 20.135,1082 1.597,1083 12.493,1084 15.627,1085 8.66,1086 25.024,1087 11.68,1088 2.684,1089 9.647,1090 22.005,1091 4.658,1092 13.591,1093 17.076,1094 9.507,1095 27.447,1096 12.702,1097 2.587,1098 8.629,1099 23.884,1100 3.905,1101 14.77,1102 18.616,1103 10.383,1104 29.918,1105 13.81,1106 2.309,1107 8.162,1108 25.77,1109 3.372,1110 15.91,1111 20.109,1112 11.241,1113 32.372,1114 14.876,1115 2.129,1116 7.141,1117 27.664,1118 2.972,1119 17.085,1120 21.641,1121 12.11,1122 34.844,1123 15.98,1124 1.846,1125 6.38,1126 29.564,1127 2.772,1128 18.247,1129 23.155,1130 12.972,1131 37.312,1132 17.069,1133 12019,1134 21310,1135 24.561,1136 35.131,1137 54.693,1138 55.654,1139 55.718,1140 54.669,1141 54.629,1142 67.089,1143 13.11,1144 159.434,1145 49.44,1146 5.725,1147 5.657,1148 6.809,1149 5.353,1150 5.324,1151 7.658,1152 3.885,1153 19.279,1154 5.084,1155 12.903,1156 1.519,1157 1.546,1158 1.548,1159 1.519,1160 1.517,1161 1.864,1162 0.364,1163 4.429,1164 1.373,1165 4.143,1166 4.187,1167 4.127,1168 3.999,1169 8.362,1170 4.024,1171 3.887,1172 3.945,1173 3.838,1174 3.662,1175 7.999,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 5.128,1182 3.533,1183 3.605,1184 3.65,1185 3.533,1186 3.389,1187 4.938,1188 3.419,1189 3.472,1190 3.522,1191 3.415,1192 3.219,1193 4.629,1194 3.26,1195 3.229,1196 3.296,1197 3.116,1198 2.941,1199 4.616,1200 2.952,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.574,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.935,1211 4.061,1212 2.91,1213 0.131,1214 0.102,1215 0.195,1216 0.118,1217 0.092,1218 4.725,1219 0.129,1220 3.657,1221 0.066,1222 7.007,1223 0.333,1224 4.25,1225 0.086,1226 3.324,1227 4.658,1228 2.375,1229 11.994,1230 3.084,1231 1.92,1232 1.895,1233 1.993,1234 2.085,1235 1.207,1236 2.05,1237 1.786,1238 1.728,1239 1.939,1240 1.989,1241 1.187,1242 1.978,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.12,1248 1.926,1249 1.565,1250 1.511,1251 1.651,1252 1.825,1253 0.825,1254 1.782,1255 1.338,1256 1.284,1257 1.56,1258 1.626,1259 0.825,1260 1.571,1261 1.2,1262 1.132,1263 1.513,1264 1.516,1265 0.735,1266 1.528,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.571,1272 1.429,1273 1.153,1274 1.064,1275 1.427,1276 1.376,1277 0.443,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.844,1285 8.793,1286 7.066,1287 10.473,1289 1.515,1291 28.009,1295 4.609,1297 16.088,1299 -2.816,1300 3.95,1305 34.802,1306 101.088,1307 187.272,1308 231.71,1309 239.22,1310 239.22,1311 239.22,1312 54.314,1313 8.14,1314 90.66,1315 90.66,1316 29,1317 12.915,1318 4.087,1319 3.17,1320 45.17,1321 114,1322 137,1323 0.189,1324 207.104,1325 357.09,1326 497.093,1327 36425,1328 3.6,1329 22.079,1330 0.69,1331 0.549,1332 20.501,1333 17.577,1334 15.635,1335 0.434,1336 0.289,1337 10.084,1338 14.453,1339 9.985,1340 8.098,1341 14.725,1342 10.402,1343 14.016,1344 0.275,1345 0.145,1346 13.085,1347 7.395,1348 12.141,1349 0.171,1350 0.077,1351 11.547,1352 5.471,1353 10.524,1354 0.106,1355 0.039,1356 10.155,1357 3.815,1358 9.201,1359 0.068,1360 0.019,1361 8.54,1362 2.609,1363 0.286,1364 101.942,1365 0.202,1366 29.085,1367 0.556,1368 174,1369 698.945,1370 207.654,1371 593.393,1372 798.93,1373 562,1374 209,1375 567.945,1376 242.414,1377 555.324,1378 838.31,1379 521,1380 5.301}
{0 CHEMBL2323114,1 1.838,2 9.5,3 3.345,4 11.188,5 113.975,6 8.136,7 0.444,8 4.163,9 4.278,10 3.805,11 3.548,12 5.265,13 3.598,14 4.768,15 4.952,16 4.193,17 3.932,18 6.022,19 3.973,20 4.908,21 5.112,22 4.244,23 4.08,24 6.018,25 4.083,26 4.944,27 5.164,28 4.265,29 4.102,30 6.064,31 4.099,32 4.953,33 5.176,34 4.343,35 4.067,36 6.233,37 4.095,38 4.936,39 5.13,40 4.372,41 4.077,42 6.165,43 4.138,44 5.028,45 5.218,46 4.388,47 4.215,48 6.277,49 4.216,50 5.185,51 5.392,52 4.322,53 4.359,54 6.212,55 4.294,56 0.219,57 0.982,58 10.078,59 4.295,60 16.989,61 5.576,62 1.092,63 1.596,64 24.869,65 7.25,66 90.137,67 9.109,68 1.059,69 1.702,70 28.682,71 7.621,72 59.532,73 11.634,74 0.847,75 1.881,76 28.956,77 8.657,78 54.955,79 12.48,80 1.097,81 1.917,82 30.517,83 7.409,84 87.887,85 11.759,86 0.982,87 2.059,88 27.896,89 7.017,90 60.684,91 9.497,92 1.525,93 2.042,94 30.925,95 8.531,96 87.168,97 12.089,98 0.921,99 2.336,100 36.402,101 14.269,102 73.752,103 18.786,104 14,105 51,106 0.303,107 0.561,108 0.695,109 0.717,110 0.717,111 0.717,112 3.504,113 0.867,114 -4.3,115 -4.23,116 -4,119 36.4,124 1,125 8,128 1,142 3,144 1,146 1,150 3,152 1,161 1,172 1,174 10,175 4,183 1,186 2,187 4,195 1,198 9,199 3,211 5,212 2,223 5,224 5,236 6,237 3,249 3,250 3,262 2,263 2,275 1784,276 22.093,277 22.093,278 22.093,279 22.093,280 22.093,281 20.404,282 34.068,283 13.079,284 23.288,285 17.769,286 17.769,287 17.769,288 17.769,289 17.769,290 14.919,291 49.549,292 6.187,293 19.636,294 3.943,295 2.376,296 1.568,297 1.432,298 1.432,299 1.432,300 4.213,304 1,305 1,306 667,307 3,310 65.459,311 363.198,314 124.752,318 1.281,319 47.259,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.5,331 304,332 4.727,333 3.657,334 7.01,335 4.252,336 3.326,337 4.661,338 2.375,339 12.007,340 3.086,341 4.281,342 3.253,343 6.301,344 3.886,345 2.978,346 3.902,347 0.86,348 9.647,349 2.704,350 3.897,351 3.081,352 6.016,353 3.591,354 2.684,355 3.341,356 0.86,357 8.629,358 2.432,359 3.795,360 3.013,361 5.9,362 3.506,363 2.573,364 2.972,365 0.86,366 8.108,367 2.388,368 3.55,369 2.758,370 5.588,371 3.194,372 2.302,373 2.887,374 0.8,375 7.139,376 2.057,377 3.44,378 2.452,379 5.213,380 3.069,381 2.152,382 2.648,383 0.8,384 6.408,385 1.955,386 3.094,387 2.254,388 4.76,389 2.774,390 1.872,391 2.259,393 5.058,394 1.684,395 2.871,396 2.25,397 4.428,398 2.577,399 1.697,400 1.967,402 4.14,403 1.488,404 2.838,405 1.719,406 4.283,407 2.406,408 1.466,409 1.879,411 4.065,412 1.374,413 2.352,414 1.549,415 3.976,416 2.026,417 1.168,418 1.327,420 2.851,421 0.995,422 2.236,423 1.377,424 3.512,425 1.952,426 1.054,427 1.215,428 2.643,429 0.946,430 2.166,431 1.288,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.087,439 1.256,440 3.394,441 1.889,442 1,443 1,445 2.136,446 0.866,447 2,448 1.256,449 3.247,450 1.869,451 1,452 1,454 2.136,455 0.865,456 2,457 1.08,458 3.247,459 1.598,460 0.68,461 0.922,463 1.627,464 0.619,465 14.371,466 0.449,467 0.709,468 0.022,469 39.75,470 1.242,471 15.5,472 0.484,473 24.25,474 0.758,475 28.926,476 0.904,477 36.629,478 0.666,479 33.572,480 1.049,481 8.057,482 0.252,483 7.578,484 0.237,485 0.075,487 0.362,489 2,493 0.763,494 1.521,495 0.654,496 1.432,497 0.584,498 1.09,499 1.064,500 0.768,501 0.895,502 0.772,503 0.708,504 0.781,505 0.786,506 0.88,507 0.856,508 0.872,509 0.521,510 0.884,511 0.694,512 1.072,513 0.845,514 1.049,515 0.74,516 0.995,517 0.715,518 1.06,519 0.726,520 0.874,521 0.718,522 0.797,523 1.236,524 1.415,525 1.017,526 1.007,527 1.251,528 0.91,529 0.773,530 0.783,531 1.092,532 0.901,533 0.849,534 1.04,535 0.711,536 1.227,537 1.02,538 1.476,539 0.801,540 1.39,541 5.5,542 0.115,543 3.111,544 2.042,545 1.824,546 1.386,547 1.063,548 0.662,549 0.413,550 0.261,551 12615,552 38952,553 2.154,554 41.8,556 22,557 1,564 1.756,565 2.043,566 3.211,567 -0.619,569 1,573 101.088,574 1.838,575 3.405,576 4.213,577 4.349,578 4.349,579 4.349,580 2.604,581 4.188,582 4.971,583 3.363,584 1667.96,585 8.763,586 23520.3,588 1,591 317.975,592 1.317,593 4.943,594 0.153,595 0.005,596 0.061,597 0.038,598 0.034,599 0.024,600 0.018,601 0.011,602 0.008,603 0.007,604 0.358,605 0.17,606 0.88,607 0.726,608 163.276,609 -0.074,610 -0.426,611 0.08,612 -0.298,613 -0.05,614 -0.104,615 -0.033,616 0.24,617 0.026,618 0.187,619 0.124,620 0.125,621 0.008,622 0.016,623 0.039,624 0.093,625 0.058,626 0.071,627 0.01,628 -0.101,629 0.041,630 -0.088,631 -0.037,632 -0.032,633 0.124,634 -0.054,635 0.205,636 0.053,637 0.153,638 0.137,639 -0.22,640 -0.199,641 -0.106,642 -0.077,643 -0.111,644 -0.041,645 0.164,646 0.343,647 -0.206,648 0.062,649 0.088,650 -0.139,651 0.025,652 -0.228,653 -0.137,654 -0.373,655 -0.004,656 -0.326,657 4.149,658 6.005,659 0.844,660 28.578,661 1.03,662 1.155,663 3.068,664 9.415,665 0.639,666 3.611,667 3.951,668 4.277,669 4.605,670 4.92,671 5.069,672 5.298,673 5.497,674 5.613,675 5.69,676 6.035,677 0.633,678 447.5,679 3.611,680 5.165,681 6.038,682 6.936,683 7.835,684 8.745,685 9.655,686 10.571,687 11.487,688 12.408,689 12.7,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 55,733 16,734 1,735 36,737 59,738 20,739 10,740 3,741 3,745 1,746 5,747 6,752 1,761 10,762 10,778 1,779 2,781 23,782 11,784 12,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 1,846 2,848 32,854 8,856 3,858 1,859 2,869 2,870 5.5,874 2,875 1,877 15.667,878 10.269,879 7.028,880 3.277,881 3.252,882 1.4,883 0.993,884 6.153,885 11.392,886 3.807,887 4.404,888 5.046,889 5.712,890 6.331,891 6.777,892 7.273,893 7.747,894 8.049,895 8.382,896 1,897 54,898 12.017,900 5.299,901 7.922,902 22.39,904 18.404,905 2.422,906 77.5,909 1,910 270.735,911 91.776,912 75.29,914 33,915 29.92,917 91.776,918 303.735,919 105.21,920 10.883,921 26.792,922 36.543,923 91.47,924 56.455,925 19.613,926 258.964,928 270.735,929 167.066,930 62.92,933 270.735,934 40.92,935 22,936 8.115,937 38.861,938 52.948,939 67.142,941 300.656,942 108.29,943 91.776,946 278.85,947 44.349,948 47.46,950 130.062,951 270.735,952 138.21,953 91.776,955 0.578,956 0.344,957 0.196,958 0.118,959 26,960 11,961 0.068,962 4,963 1,964 1.074,965 4.151,966 319.083,967 0.074,968 27,969 134,974 21.407,975 9.198,976 4.291,977 0.842,978 136.311,979 4.977,980 17.954,984 1.027,985 1.29,987 500.721,988 44,999 56.672,1000 63.533,1001 0.318,1002 0.589,1003 0.729,1004 0.752,1005 0.752,1006 0.752,1007 5.069,1008 1.697,1009 6.023,1010 5.058,1011 4.635,1012 5.091,1013 2.774,1014 6.87,1015 4.448,1016 6.258,1017 1.466,1018 7.597,1019 4.14,1020 4.205,1021 4.945,1022 2.404,1023 7.83,1024 3.925,1025 7.569,1026 1.168,1027 9.274,1028 4.065,1029 6.252,1030 7.31,1031 3.756,1032 10.981,1033 5.9,1034 8.92,1035 1.054,1036 11.014,1037 2.851,1038 6.673,1039 8.051,1040 4.231,1041 12.809,1042 6.232,1043 10.31,1044 1,1045 12.794,1046 2.643,1047 8.176,1048 9.9,1049 5.276,1050 15.48,1051 7.665,1052 11.728,1053 1,1054 14.602,1055 2.509,1056 8.994,1057 11.056,1058 6.014,1059 17.676,1060 8.4,1061 13.168,1062 1,1063 16.431,1064 2.136,1065 10.281,1066 12.703,1067 6.949,1068 20.197,1069 9.617,1070 3.326,1071 0.68,1072 18.277,1073 2.136,1074 11.289,1075 14.059,1076 7.767,1077 22.553,1078 10.546,1079 2.978,1080 12.007,1081 20.136,1082 1.627,1083 12.494,1084 15.628,1085 8.66,1086 25.032,1087 11.681,1088 2.684,1089 9.647,1090 22.006,1091 4.661,1092 13.593,1093 17.078,1094 9.507,1095 27.457,1096 12.704,1097 2.573,1098 8.629,1099 23.885,1100 3.902,1101 14.773,1102 18.619,1103 10.383,1104 29.929,1105 13.813,1106 2.302,1107 8.108,1108 25.772,1109 3.341,1110 15.914,1111 20.112,1112 11.241,1113 32.385,1114 14.881,1115 2.152,1116 7.139,1117 27.666,1118 2.972,1119 17.089,1120 21.645,1121 12.11,1122 34.858,1123 15.985,1124 1.872,1125 6.408,1126 29.566,1127 2.887,1128 18.253,1129 23.159,1130 12.972,1131 37.328,1132 17.076,1133 11863,1134 21036,1135 24.561,1136 35.131,1137 54.709,1138 55.624,1139 55.735,1140 54.678,1141 54.634,1142 67.097,1143 13.11,1144 159.455,1145 49.445,1146 5.727,1147 5.657,1148 6.812,1149 5.355,1150 5.326,1151 7.661,1152 3.885,1153 19.272,1154 5.086,1155 12.83,1156 1.52,1157 1.545,1158 1.548,1159 1.519,1160 1.518,1161 1.864,1162 0.364,1163 4.429,1164 1.373,1165 4.144,1166 4.187,1167 4.127,1168 3.999,1169 8.362,1170 4.024,1171 3.887,1172 3.945,1173 3.837,1174 3.662,1175 7.999,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 5.128,1182 3.533,1183 3.603,1184 3.649,1185 3.53,1186 3.388,1187 4.936,1188 3.418,1189 3.474,1190 3.523,1191 3.417,1192 3.22,1193 4.632,1194 3.262,1195 3.228,1196 3.295,1197 3.11,1198 2.941,1199 4.616,1200 2.951,1201 3.111,1202 3.206,1203 2.924,1204 2.941,1205 4.58,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.936,1211 4.056,1212 2.91,1213 0.131,1214 0.102,1215 0.195,1216 0.118,1217 0.092,1218 4.727,1219 0.129,1220 3.657,1221 0.066,1222 7.01,1223 0.334,1224 4.252,1225 0.086,1226 3.326,1227 4.661,1228 2.375,1229 12.007,1230 3.086,1231 1.92,1232 1.895,1233 1.992,1234 2.085,1235 1.207,1236 2.05,1237 1.786,1238 1.727,1239 1.939,1240 1.989,1241 1.187,1242 1.978,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.12,1248 1.926,1249 1.565,1250 1.51,1251 1.649,1252 1.823,1253 0.825,1254 1.781,1255 1.34,1256 1.287,1257 1.569,1258 1.629,1259 0.825,1260 1.578,1261 1.2,1262 1.132,1263 1.513,1264 1.515,1265 0.735,1266 1.524,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.575,1272 1.429,1273 1.153,1274 1.064,1275 1.422,1276 1.376,1277 0.441,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.844,1285 8.793,1286 7.066,1287 10.473,1289 1.52,1291 28.009,1295 4.586,1297 16.167,1299 -2.816,1300 3.945,1305 34.802,1306 101.088,1307 187.272,1308 231.71,1309 239.22,1310 239.22,1311 239.22,1312 54.454,1313 8.14,1314 90.66,1315 90.66,1316 29,1317 12.917,1318 4.087,1319 3.17,1320 45.112,1321 112,1322 121,1323 0.192,1324 207.104,1325 357.09,1326 497.093,1327 36425,1328 3.6,1329 22.079,1330 0.69,1331 0.549,1332 20.501,1333 17.577,1334 15.635,1335 0.434,1336 0.289,1337 10.084,1338 14.453,1339 9.985,1340 8.098,1341 14.725,1342 10.402,1343 14.016,1344 0.275,1345 0.145,1346 13.085,1347 7.395,1348 12.148,1349 0.171,1350 0.077,1351 11.554,1352 5.471,1353 10.484,1354 0.106,1355 0.038,1356 10.115,1357 3.81,1358 9.236,1359 0.068,1360 0.019,1361 8.576,1362 2.62,1363 0.289,1364 101.942,1365 0.202,1366 28.998,1367 0.568,1368 174,1369 698.945,1370 207.654,1371 593.393,1372 798.93,1373 562,1374 209,1375 567.945,1376 242.414,1377 555.324,1378 838.31,1379 521,1380 6.426}
{0 CHEMBL2323115,1 1.655,2 10.133,3 2.751,4 7.567,5 113.855,6 7.482,7 0.471,8 4.147,9 4.268,10 3.736,11 3.552,12 5.181,13 3.577,14 4.74,15 4.934,16 4.102,17 3.936,18 5.754,19 3.948,20 4.891,21 5.102,22 4.138,23 4.082,24 5.84,25 4.063,26 4.921,27 5.152,28 4.13,29 4.108,30 5.914,31 4.06,32 4.918,33 5.158,34 4.139,35 4.073,36 5.919,37 4.042,38 4.881,39 5.098,40 4.159,41 4.069,42 5.839,43 4.06,44 4.961,45 5.165,46 4.168,47 4.199,48 5.907,49 4.155,50 5.133,51 5.352,52 4.068,53 4.353,54 5.942,55 4.226,56 0.074,57 0.872,58 11.73,59 4.253,60 6.196,61 6.107,62 0.677,63 1.35,64 25.426,65 7.149,66 35.29,67 10.067,68 0.646,69 1.569,70 29.625,71 7.655,72 31.744,73 12.136,74 0.605,75 1.652,76 30.105,77 8.547,78 40.089,79 13.522,80 0.683,81 1.605,82 30.785,83 7.385,84 49.069,85 12.793,86 0.526,87 1.626,88 28.425,89 6.648,90 30.01,91 11.297,92 0.914,93 1.703,94 31.045,95 8.361,96 39.777,97 12.981,98 0.359,99 1.874,100 36.383,101 14.021,102 27.786,103 20.186,104 6,105 48,106 0.273,107 0.532,108 0.686,109 0.709,110 0.709,111 0.709,112 3.442,113 0.898,114 -4.08,115 -4.02,116 -3.81,119 36.4,120 1,124 1,125 8,142 3,144 1,146 1,150 3,152 1,161 1,172 1,174 10,175 6,183 1,186 2,187 4,195 1,198 9,199 5,207 2,211 5,212 4,220 1,223 3,224 7,236 8,237 6,262 5,263 4,275 1500,276 20.886,277 20.886,278 20.886,279 20.886,280 20.886,281 19.12,282 32.141,283 12.387,284 21.941,285 16.785,286 16.785,287 16.785,288 16.785,289 16.785,290 13.91,291 47.063,292 5.866,293 18.399,294 4.126,295 2.552,296 1.619,297 1.482,298 1.482,299 1.482,300 4.154,304 1,305 1,306 674,307 2.449,310 60.481,311 342.043,314 114.552,318 1.484,319 26.597,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66.5,331 304,332 4.699,333 3.393,334 6.921,335 4.212,336 3.282,337 4.644,338 0.86,339 11.653,340 3.06,341 4.282,342 3.182,343 6.297,344 3.883,345 2.971,346 3.905,347 0.86,348 9.632,349 2.705,350 3.872,351 3.013,352 6.016,353 3.591,354 2.684,355 3.328,356 0.86,357 8.629,358 2.432,359 3.795,360 2.824,361 5.811,362 3.469,363 2.534,364 2.972,365 0.8,366 7.968,367 2.361,368 3.473,369 2.451,370 5.22,371 3.088,372 2.173,373 2.767,374 0.8,375 6.431,376 1.984,377 3.214,378 2.25,379 4.999,380 2.815,381 1.887,382 2.48,384 5.468,385 1.75,386 3.082,387 2.23,388 4.689,389 2.708,390 1.784,391 2.243,393 4.907,394 1.641,395 2.858,396 2.05,397 4.414,398 2.577,399 1.697,400 1.95,402 4.103,403 1.488,404 2.838,405 1.652,406 4.283,407 2.404,408 1.465,409 1.879,411 4.065,412 1.371,413 2.246,414 1.4,415 3.534,416 2.005,417 1.139,418 1.231,420 2.705,421 0.981,422 2.166,423 1.288,424 3.475,425 1.952,426 1,427 1.132,428 2.509,429 0.946,430 2.104,431 1.256,432 3.472,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.256,440 3.247,441 1.869,442 1,443 1,445 2.136,446 0.866,447 2,448 1.098,449 3.247,450 1.623,451 0.707,452 0.951,454 1.724,455 0.643,456 1.568,457 0.593,458 2.851,459 1.241,460 0.363,461 0.431,463 0.6,464 0.317,465 13.8,466 0.46,467 0.619,468 0.021,469 38.25,470 1.275,471 15.5,472 0.517,473 22.75,474 0.758,475 26.678,476 0.889,477 33.6,478 0.611,479 28.997,480 0.967,481 7.587,482 0.253,483 7.138,484 0.238,485 0.072,487 0.341,493 0.921,494 1.871,495 0.739,496 1.439,497 0.803,498 1.106,499 1.322,500 0.84,501 0.902,502 0.775,503 1.043,504 0.77,505 1.223,506 1.209,507 0.987,508 0.88,509 1.105,510 0.879,511 0.698,512 1.098,513 0.958,514 1.044,515 0.988,516 1.036,517 0.782,518 1.161,519 0.885,520 0.871,521 1.084,522 0.864,523 1.074,524 1.273,525 1.053,526 0.997,527 1.002,528 0.976,529 1.017,530 0.845,531 1.231,532 0.872,533 0.912,534 1.033,535 0.631,536 1.28,537 1.151,538 1.534,539 0.783,540 1.464,541 5,542 0.111,543 2.889,544 2.167,545 1.254,546 1.299,547 0.95,548 0.445,549 0.252,550 0.213,551 11241,552 28874,553 2.186,554 45.5,556 22,560 3,564 1.737,565 2.093,566 3.268,567 -0.66,568 1,569 1,573 91.033,574 1.655,575 3.229,576 4.163,577 4.299,578 4.299,579 4.299,580 2.737,581 3.974,582 4.876,583 3.432,584 1492.95,585 8.555,586 20019.6,588 1,590 1,591 317.975,592 1.231,593 4.859,594 0.147,595 0.007,596 0.06,597 0.043,598 0.026,599 0.027,600 0.019,601 0.009,602 0.006,603 0.007,604 0.351,605 0.33,606 0.88,607 0.588,608 150.853,609 -0.048,610 -0.581,611 0.107,612 -0.302,613 0.008,614 -0.1,615 -0.048,616 0.268,617 0.082,618 0.185,619 0.062,620 0.146,621 -0.176,622 -0.114,623 -0.026,624 0.092,625 -0.113,626 0.065,627 0.064,628 0.03,629 -0.027,630 -0.078,631 -0.002,632 -0.078,633 0.051,634 -0.062,635 0.071,636 0.058,637 -0.027,638 0.075,639 -0.188,640 -0.086,641 -0.115,642 -0.08,643 -0.138,644 -0.07,645 -0.045,646 0.338,647 -0.298,648 0.09,649 -0.054,650 -0.109,651 -0.02,652 -0.234,653 -0.266,654 -0.41,655 -0.083,656 -0.389,657 1.099,658 2.002,659 0.9,660 26.933,661 1.012,662 1.143,663 2.845,664 8.096,665 0.641,666 3.555,667 3.892,668 4.22,669 4.543,670 4.82,671 4.956,672 5.204,673 5.366,674 5.468,675 5.587,676 6.071,677 0.619,678 411.52,679 3.555,680 5.106,681 5.979,682 6.874,683 7.767,684 8.673,685 9.575,686 10.487,687 11.395,688 12.31,689 12.7,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 55,733 16,734 1,735 34,737 59,738 20,739 10,740 3,741 3,746 5,747 6,752 1,761 10,762 10,778 1,781 25,782 9,784 10,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 2,848 30,854 8,856 3,859 2,870 5.5,874 2,875 1,877 14.333,878 10.65,879 6.583,880 3.349,881 3.218,882 1.402,883 0.992,884 5.523,885 11.231,886 3.761,887 4.366,888 5.006,889 5.672,890 6.258,891 6.684,892 7.201,893 7.647,894 7.928,895 8.31,896 0.857,897 50,898 11.092,900 4.695,901 7.572,902 21.524,904 17.669,905 2.072,906 62.167,909 1,910 294.278,911 92.486,912 75.29,914 33,917 92.486,918 327.277,919 75.29,920 19.708,921 26.792,922 28.429,923 91.47,924 26.535,925 7.841,926 294.278,928 294.278,929 167.776,930 33,933 294.278,934 11,935 22,937 47.686,938 52.948,939 67.142,941 294.278,942 108.29,943 92.486,946 294.278,947 44.349,948 56.285,950 100.142,951 294.278,952 108.29,953 92.486,955 0.577,956 0.347,957 0.198,958 0.113,959 25,960 10,961 0.068,962 4,963 1,964 1.074,965 4.087,966 288.788,967 0.074,968 27,969 123.207,974 19.64,975 8.437,976 3.893,977 1.772,978 106.39,979 5.833,980 19.15,984 3.48,985 1.977,987 495.053,988 42,999 55.647,1000 62.853,1001 0.286,1002 0.559,1003 0.72,1004 0.744,1005 0.744,1006 0.744,1007 5.017,1008 1.697,1009 5.958,1010 4.907,1011 4.575,1012 5.053,1013 1.996,1014 6.797,1015 4.403,1016 6.207,1017 1.465,1018 7.526,1019 4.103,1020 4.111,1021 4.902,1022 0.57,1023 7.73,1024 3.865,1025 7.518,1026 1.139,1027 9.195,1028 4.065,1029 6.184,1030 7.281,1031 1.649,1032 10.878,1033 5.852,1034 8.869,1035 1,1036 10.927,1037 2.705,1038 6.581,1039 8.017,1040 0.479,1041 12.682,1042 6.172,1043 10.259,1044 1,1045 12.7,1046 2.509,1047 8.097,1048 9.873,1049 1.378,1050 15.338,1051 7.611,1052 11.675,1053 1,1054 14.502,1055 2.136,1056 8.899,1057 11.026,1058 0.346,1059 17.505,1060 8.338,1061 13.114,1062 0.707,1063 16.324,1064 2.136,1065 10.189,1066 12.676,1067 1.142,1068 20.002,1069 9.556,1070 3.282,1071 0.363,1072 18.163,1073 1.724,1074 11.184,1075 14.028,1076 0.237,1077 22.325,1078 10.478,1079 2.971,1080 11.653,1081 20.014,1082 0.6,1083 12.386,1084 15.597,1085 0.933,1086 24.774,1087 11.61,1088 2.684,1089 9.632,1090 21.876,1091 4.644,1092 13.472,1093 17.043,1094 0.158,1095 27.164,1096 12.625,1097 2.534,1098 8.629,1099 23.747,1100 3.905,1101 14.643,1102 18.581,1103 0.751,1104 29.604,1105 13.728,1106 2.173,1107 7.968,1108 25.625,1109 3.328,1110 15.771,1111 20.071,1112 0.104,1113 32.025,1114 14.787,1115 1.887,1116 6.431,1117 27.51,1118 2.972,1119 16.935,1120 21.601,1121 0.596,1122 34.466,1123 15.884,1124 1.784,1125 5.468,1126 29.4,1127 2.767,1128 18.085,1129 23.111,1130 0.068,1131 36.902,1132 16.965,1133 10467,1134 16928,1135 23.463,1136 35.256,1137 51.335,1138 52.249,1139 52.243,1140 51.336,1141 51.371,1142 63.83,1143 8.36,1144 149.333,1145 46.98,1146 5.699,1147 5.393,1148 6.723,1149 5.316,1150 5.282,1151 7.644,1152 1.72,1153 18.905,1154 5.06,1155 10.137,1156 1.51,1157 1.537,1158 1.537,1159 1.51,1160 1.511,1161 1.877,1162 0.246,1163 4.392,1164 1.382,1165 4.14,1166 4.184,1167 4.118,1168 3.999,1169 5.139,1170 4.022,1171 3.887,1172 3.945,1173 3.837,1174 3.662,1175 4.945,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.643,1182 3.533,1183 3.599,1184 3.647,1185 3.515,1186 3.39,1187 4.616,1188 3.414,1189 3.445,1190 3.499,1191 3.359,1192 3.221,1193 4.583,1194 3.248,1195 3.191,1196 3.272,1197 2.979,1198 2.941,1199 4.114,1200 2.935,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.022,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.937,1211 3.965,1212 2.91,1213 0.138,1214 0.1,1215 0.204,1216 0.124,1217 0.097,1218 4.699,1219 0.137,1220 3.393,1221 0.025,1222 6.921,1223 0.343,1224 4.212,1225 0.09,1226 3.282,1227 4.644,1228 0.86,1229 11.653,1230 3.06,1231 1.92,1232 1.895,1233 1.993,1234 2.085,1235 1.207,1236 2.051,1237 1.786,1238 1.728,1239 1.939,1240 1.989,1241 1.187,1242 1.978,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.12,1248 1.926,1249 1.582,1250 1.521,1251 1.755,1252 1.822,1253 0.828,1254 1.801,1255 1.365,1256 1.3,1257 1.573,1258 1.62,1259 0.825,1260 1.605,1261 1.201,1262 1.133,1263 1.514,1264 1.516,1265 0.825,1266 1.528,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.579,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.495,1278 1.429,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.844,1285 8.731,1286 7.034,1287 10.407,1289 3.61,1295 5.697,1297 16.35,1300 4.298,1305 34.035,1306 91.033,1307 177.603,1308 228.955,1309 236.465,1310 236.465,1311 236.465,1312 36.284,1313 8.013,1314 90.66,1315 90.66,1316 29,1317 12.823,1318 4.087,1319 3.17,1320 41.197,1321 106,1322 129,1323 0.186,1324 204.707,1325 344.95,1326 491.246,1327 31533,1329 20.501,1330 0.683,1331 0.575,1332 20.501,1333 17.244,1334 14.725,1335 0.433,1336 0.299,1337 9.917,1338 13.753,1339 9.718,1340 7.943,1341 14.725,1342 10.177,1343 13.085,1344 0.273,1345 0.152,1346 13.085,1347 7.283,1348 11.547,1349 0.172,1350 0.081,1351 11.547,1352 5.417,1353 10.155,1354 0.109,1355 0.041,1356 10.155,1357 3.813,1358 8.54,1359 0.069,1360 0.021,1361 8.54,1362 2.559,1363 0.284,1364 94.746,1365 0.206,1366 27.712,1367 0.542,1368 164,1369 516.722,1370 189.315,1371 478.153,1372 669.19,1373 456,1374 197,1375 503.945,1376 223.54,1377 500.763,1378 747.53,1379 471,1380 5.036}
{0 CHEMBL2323116,1 1.655,2 9.467,3 2.751,4 7.567,5 113.855,6 7.482,7 0.471,8 4.147,9 4.268,10 3.736,11 3.552,12 5.181,13 3.577,14 4.74,15 4.934,16 4.102,17 3.936,18 5.754,19 3.948,20 4.891,21 5.102,22 4.138,23 4.082,24 5.841,25 4.063,26 4.921,27 5.152,28 4.13,29 4.108,30 5.904,31 4.06,32 4.921,33 5.158,34 4.159,35 4.074,36 5.928,37 4.049,38 4.892,39 5.104,40 4.2,41 4.087,42 5.879,43 4.081,44 4.988,45 5.194,46 4.186,47 4.22,48 5.931,49 4.179,50 5.156,51 5.376,52 4.1,53 4.367,54 5.986,55 4.24,56 0.074,57 0.872,58 11.73,59 4.253,60 6.196,61 6.107,62 0.677,63 1.35,64 25.426,65 7.149,66 35.29,67 10.067,68 0.646,69 1.569,70 29.625,71 7.655,72 32.077,73 12.136,74 0.605,75 1.652,76 30.105,77 8.547,78 38.398,79 13.522,80 0.686,81 1.605,82 30.849,83 7.359,84 49.177,85 12.694,86 0.596,87 1.647,88 28.689,89 6.801,90 33.25,91 11.469,92 0.852,93 1.752,94 31.866,95 8.474,96 38.575,97 13.223,98 0.519,99 1.902,100 37.555,101 14.062,102 34.906,103 20.35,104 6,105 48,106 0.273,107 0.532,108 0.686,109 0.709,110 0.709,111 0.709,112 3.442,113 0.898,114 -4.08,115 -4.02,116 -3.81,119 36.4,120 1,124 1,125 8,142 3,144 1,146 1,150 3,152 1,161 1,172 1,174 10,175 6,183 1,186 2,187 4,195 1,198 9,199 5,207 2,211 5,212 2,220 1,223 5,224 9,236 6,237 3,249 3,250 3,262 2,263 4,275 1488,276 20.886,277 20.886,278 20.886,279 20.886,280 20.886,281 19.12,282 32.141,283 12.39,284 21.941,285 16.785,286 16.785,287 16.785,288 16.785,289 16.785,290 13.91,291 47.063,292 5.871,293 18.399,294 4.126,295 2.552,296 1.619,297 1.482,298 1.482,299 1.482,300 4.154,304 1,305 1,306 629,307 2.449,310 60.481,311 341.118,314 114.552,318 1.333,319 26.743,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 66.5,331 284,332 4.701,333 3.396,334 6.924,335 4.215,336 3.285,337 4.647,338 0.86,339 11.67,340 3.063,341 4.28,342 3.183,343 6.297,344 3.882,345 2.971,346 3.902,347 0.86,348 9.633,349 2.704,350 3.841,351 3.013,352 6.016,353 3.591,354 2.684,355 3.287,356 0.86,357 8.629,358 2.432,359 3.795,360 2.803,361 5.79,362 3.44,363 2.505,364 2.972,365 0.8,366 7.855,367 2.335,368 3.542,369 2.464,370 5.248,371 3.133,372 2.213,373 2.887,374 0.8,375 6.577,376 2.032,377 3.194,378 2.258,379 4.985,380 2.843,381 1.921,382 2.391,384 5.469,385 1.767,386 3.055,387 2.25,388 4.694,389 2.659,390 1.735,391 2.246,393 4.839,394 1.6,395 2.865,396 2.033,397 4.421,398 2.577,399 1.697,400 1.957,402 4.128,403 1.488,404 2.838,405 1.656,406 4.283,407 2.406,408 1.466,409 1.879,411 4.065,412 1.372,413 2.244,414 1.385,415 3.527,416 2.002,417 1.136,418 1.229,420 2.703,421 0.978,422 2.166,423 1.288,424 3.472,425 1.952,426 1,427 1.132,428 2.509,429 0.946,430 2.088,431 1.256,432 3.462,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.256,440 3.247,441 1.869,442 1,443 1,445 2.136,446 0.866,447 2,448 1.098,449 3.247,450 1.598,451 0.682,452 0.923,454 1.642,455 0.62,456 1.605,457 0.574,458 2.892,459 1.28,460 0.394,461 0.471,463 0.693,464 0.347,465 13.8,466 0.46,467 0.619,468 0.021,469 38.25,470 1.275,471 15.5,472 0.517,473 22.75,474 0.758,475 26.795,476 0.893,477 33.6,478 0.611,479 29.094,480 0.97,481 7.587,482 0.253,483 7.138,484 0.238,485 0.072,487 0.341,493 0.921,494 1.871,495 0.739,496 1.439,497 0.803,498 1.106,499 1.322,500 0.84,501 0.902,502 0.775,503 1.043,504 0.77,505 1.223,506 1.209,507 0.987,508 0.88,509 1.1,510 0.879,511 0.698,512 1.098,513 0.958,514 1.044,515 1.027,516 1.036,517 0.819,518 1.162,519 0.874,520 0.867,521 1.074,522 0.849,523 1.012,524 1.262,525 1.02,526 0.991,527 0.845,528 0.968,529 1.092,530 0.907,531 1.244,532 0.906,533 1.066,534 1.044,535 0.609,536 1.199,537 1.159,538 1.472,539 0.834,540 1.436,541 5,542 0.066,543 2.889,544 2.042,545 1.254,546 1.354,547 0.869,548 0.418,549 0.314,550 0.203,551 11073,552 28354,553 2.186,554 45.5,556 22,560 3,564 1.738,565 2.093,566 3.216,567 -0.66,568 1,569 1,573 91.033,574 1.655,575 3.229,576 4.163,577 4.299,578 4.299,579 4.299,580 2.634,581 3.84,582 4.878,583 3.366,584 1464.2,585 8.565,586 19732.9,588 1,590 1,591 317.975,592 1.231,593 4.859,594 0.147,595 0.004,596 0.06,597 0.041,598 0.026,599 0.027,600 0.017,601 0.008,602 0.007,603 0.007,604 0.344,605 0.33,606 0.88,607 0.588,608 150.427,609 -0.048,610 -0.581,611 0.107,612 -0.302,613 0.008,614 -0.1,615 -0.048,616 0.268,617 0.082,618 0.185,619 0.062,620 0.146,621 -0.176,622 -0.114,623 -0.026,624 0.092,625 -0.108,626 0.065,627 0.064,628 0.03,629 -0.027,630 -0.078,631 -0.043,632 -0.078,633 0.048,634 -0.062,635 0.086,636 0.061,637 -0.007,638 0.086,639 -0.096,640 -0.071,641 -0.081,642 -0.069,643 0.014,644 -0.062,645 -0.129,646 0.274,647 -0.312,648 0.054,649 -0.164,650 -0.12,651 0.046,652 -0.151,653 -0.265,654 -0.365,655 -0.08,656 -0.375,657 1.11,658 2.004,659 0.9,660 25.893,661 1.012,662 1.143,663 2.845,664 8.096,665 0.641,666 3.555,667 3.892,668 4.22,669 4.543,670 4.828,671 4.963,672 5.193,673 5.366,674 5.481,675 5.583,676 5.94,677 0.619,678 411.52,679 3.555,680 5.106,681 5.979,682 6.874,683 7.768,684 8.674,685 9.577,686 10.489,687 11.397,688 12.313,689 12.7,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 55,733 16,734 1,735 34,737 59,738 20,739 10,740 3,741 3,746 5,747 6,752 1,761 10,762 10,778 1,781 25,782 9,784 10,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 2,848 30,854 8,856 3,859 2,870 5.5,874 2,875 1,877 14.333,878 10.65,879 6.583,880 3.349,881 3.212,882 1.401,883 0.992,884 5.523,885 11.225,886 3.761,887 4.366,888 5.006,889 5.672,890 6.265,891 6.689,892 7.19,893 7.647,894 7.934,895 8.304,896 1,897 50,898 11.094,900 4.696,901 7.572,902 21.524,904 17.669,905 2.072,906 62.167,909 1,910 294.278,911 92.486,912 75.29,914 33,917 92.486,918 327.277,919 75.29,920 19.708,921 26.792,922 28.429,923 91.47,924 26.535,925 7.841,926 294.278,928 294.278,929 167.776,930 33,933 294.278,934 11,935 22,937 47.686,938 52.948,939 67.142,941 294.278,942 108.29,943 92.486,946 294.278,947 44.349,948 56.285,950 100.142,951 294.278,952 108.29,953 92.486,955 0.577,956 0.347,957 0.198,958 0.114,959 25,960 10,961 0.068,962 4,963 1,964 1.074,965 4.07,966 289.866,967 0.074,968 27,969 123.207,974 19.64,975 8.437,976 3.893,977 1.772,978 106.39,979 5.817,980 19.15,984 3.453,985 1.966,987 495.053,988 42,999 55.647,1000 62.853,1001 0.286,1002 0.559,1003 0.72,1004 0.744,1005 0.744,1006 0.744,1007 5.017,1008 1.697,1009 5.958,1010 4.839,1011 4.575,1012 5.053,1013 1.996,1014 6.797,1015 4.403,1016 6.207,1017 1.466,1018 7.526,1019 4.128,1020 4.111,1021 4.902,1022 0.57,1023 7.73,1024 3.865,1025 7.518,1026 1.136,1027 9.195,1028 4.065,1029 6.184,1030 7.281,1031 1.649,1032 10.879,1033 5.852,1034 8.869,1035 1,1036 10.927,1037 2.703,1038 6.581,1039 8.017,1040 0.479,1041 12.683,1042 6.172,1043 10.259,1044 1,1045 12.7,1046 2.509,1047 8.097,1048 9.873,1049 1.378,1050 15.341,1051 7.611,1052 11.675,1053 1,1054 14.502,1055 2.136,1056 8.899,1057 11.026,1058 0.346,1059 17.509,1060 8.338,1061 13.114,1062 0.682,1063 16.324,1064 2.136,1065 10.189,1066 12.676,1067 1.142,1068 20.008,1069 9.556,1070 3.285,1071 0.394,1072 18.163,1073 1.642,1074 11.185,1075 14.029,1076 0.237,1077 22.333,1078 10.479,1079 2.971,1080 11.67,1081 20.015,1082 0.693,1083 12.387,1084 15.598,1085 0.933,1086 24.784,1087 11.612,1088 2.684,1089 9.633,1090 21.877,1091 4.647,1092 13.474,1093 17.045,1094 0.158,1095 27.177,1096 12.627,1097 2.505,1098 8.629,1099 23.748,1100 3.902,1101 14.646,1102 18.584,1103 0.751,1104 29.618,1105 13.732,1106 2.213,1107 7.855,1108 25.627,1109 3.287,1110 15.775,1111 20.075,1112 0.104,1113 32.041,1114 14.792,1115 1.921,1116 6.577,1117 27.512,1118 2.972,1119 16.94,1120 21.605,1121 0.596,1122 34.484,1123 15.89,1124 1.735,1125 5.469,1126 29.403,1127 2.887,1128 18.091,1129 23.116,1130 0.068,1131 36.922,1132 16.972,1133 10311,1134 16654,1135 23.463,1136 35.256,1137 51.37,1138 52.199,1139 52.306,1140 51.357,1141 51.378,1142 63.845,1143 8.36,1144 149.37,1145 46.988,1146 5.701,1147 5.396,1148 6.726,1149 5.318,1150 5.285,1151 7.647,1152 1.72,1153 18.906,1154 5.063,1155 10.044,1156 1.511,1157 1.535,1158 1.538,1159 1.51,1160 1.511,1161 1.878,1162 0.246,1163 4.393,1164 1.382,1165 4.14,1166 4.184,1167 4.119,1168 3.999,1169 5.139,1170 4.022,1171 3.886,1172 3.945,1173 3.837,1174 3.662,1175 4.944,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.648,1182 3.533,1183 3.597,1184 3.646,1185 3.512,1186 3.389,1187 4.616,1188 3.413,1189 3.447,1190 3.5,1191 3.361,1192 3.222,1193 4.586,1194 3.25,1195 3.193,1196 3.273,1197 2.991,1198 2.941,1199 4.104,1200 2.937,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.022,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.937,1211 3.95,1212 2.91,1213 0.138,1214 0.1,1215 0.204,1216 0.124,1217 0.097,1218 4.701,1219 0.137,1220 3.396,1221 0.025,1222 6.924,1223 0.343,1224 4.215,1225 0.09,1226 3.285,1227 4.647,1228 0.86,1229 11.67,1230 3.063,1231 1.92,1232 1.895,1233 1.992,1234 2.085,1235 1.207,1236 2.051,1237 1.787,1238 1.728,1239 1.939,1240 1.989,1241 1.187,1242 1.978,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.121,1248 1.926,1249 1.582,1250 1.52,1251 1.756,1252 1.82,1253 0.828,1254 1.801,1255 1.366,1256 1.302,1257 1.574,1258 1.624,1259 0.825,1260 1.609,1261 1.201,1262 1.133,1263 1.515,1264 1.515,1265 0.825,1266 1.527,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.578,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.499,1278 1.429,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.844,1285 8.731,1286 7.034,1287 10.407,1289 3.615,1295 5.673,1297 16.429,1300 4.293,1305 34.035,1306 91.033,1307 177.603,1308 228.955,1309 236.465,1310 236.465,1311 236.465,1312 36.384,1313 8.013,1314 90.66,1315 90.66,1316 29,1317 12.826,1318 4.087,1319 3.17,1320 41.133,1321 104,1322 113,1323 0.19,1324 204.707,1325 344.95,1326 491.246,1327 31533,1329 20.501,1330 0.683,1331 0.575,1332 20.501,1333 17.244,1334 14.725,1335 0.433,1336 0.299,1337 9.917,1338 13.753,1339 9.718,1340 7.943,1341 14.725,1342 10.177,1343 13.085,1344 0.273,1345 0.152,1346 13.085,1347 7.283,1348 11.554,1349 0.172,1350 0.081,1351 11.554,1352 5.417,1353 10.115,1354 0.109,1355 0.041,1356 10.115,1357 3.808,1358 8.576,1359 0.069,1360 0.021,1361 8.576,1362 2.57,1363 0.287,1364 94.746,1365 0.206,1366 27.614,1367 0.556,1368 164,1369 516.722,1370 189.315,1371 478.153,1372 669.19,1373 456,1374 197,1375 503.945,1376 223.54,1377 500.763,1378 747.53,1379 471,1380 6.085}
{0 CHEMBL2323117,1 1.583,2 8.867,3 3.897,4 15.184,5 116.593,6 7.185,7 0.471,8 4.166,9 4.296,10 3.724,11 3.603,12 5.159,13 3.607,14 4.767,15 4.969,16 4.097,17 4.005,18 5.735,19 3.988,20 4.967,21 5.198,22 4.144,23 4.142,24 5.867,25 4.095,26 4.997,27 5.256,28 4.15,29 4.151,30 5.93,31 4.101,32 4.937,33 5.16,34 4.2,35 4.164,36 5.939,37 4.128,38 4.978,39 5.189,40 4.229,41 4.216,42 5.955,43 4.189,44 5.115,45 5.34,46 4.214,47 4.34,48 5.986,49 4.257,50 5.24,51 5.487,52 4.128,53 4.43,54 5.997,55 4.303,56 0.02,57 0.91,58 12.736,59 4.564,60 6.095,61 6.744,62 0.553,63 1.438,64 26.439,65 7.877,66 31.767,67 11.425,68 0.499,69 1.69,70 32.81,71 8.752,72 32.014,73 14.336,74 0.627,75 1.768,76 34.209,77 8.468,78 42.416,79 14.289,80 0.505,81 1.737,82 31.047,83 8.054,84 44.67,85 13.689,86 0.494,87 1.859,88 31.957,89 7.631,90 39.107,91 12.989,92 0.69,93 1.975,94 37.267,95 11.042,96 39.284,97 17.517,98 0.448,99 2.071,100 42.811,101 14.399,102 32.769,103 21.666,104 6,105 48,106 0.259,107 0.51,108 0.661,109 0.692,110 0.698,111 0.698,112 3.442,113 0.935,114 -4.76,115 -4.67,116 -4.39,119 36.8,120 2,122 1,125 8,142 4,146 1,150 3,152 1,161 1,172 5,174 10,175 4,183 3,186 2,187 8,195 1,198 8,199 6,207 2,211 4,212 8,220 6,223 3,224 8,232 4,236 6,237 12,250 3,262 2,263 4,275 1468,276 20.775,277 20.775,278 20.775,279 20.775,280 20.775,281 19.058,282 30.253,283 12.438,284 21.626,285 16.859,286 16.859,287 16.859,288 16.859,289 16.859,290 14.084,291 43.882,292 5.956,293 18.267,294 4.25,295 2.716,296 1.794,297 1.605,298 1.57,299 1.57,300 4.154,304 1,305 1,306 589,307 2.739,310 59.49,311 336.023,314 114.92,318 1.102,319 24.794,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.5,331 266,332 4.716,333 3.446,334 7.005,335 4.249,336 3.317,337 4.642,338 0.86,339 11.982,340 3.097,341 4.274,342 3.196,343 6.3,344 3.883,345 2.973,346 3.893,347 0.86,348 9.642,349 2.701,350 3.795,351 3.013,352 6.016,353 3.591,354 2.684,355 3.187,356 0.8,357 8.629,358 2.432,359 3.777,360 2.599,361 5.857,362 3.42,363 2.442,364 2.972,365 0.8,366 7.878,367 2.391,368 3.513,369 2.516,370 5.587,371 3.228,372 2.301,373 2.751,375 7.13,376 2.126,377 3.096,378 2.266,379 4.758,380 2.783,381 1.874,382 2.271,384 5.053,385 1.699,386 2.938,387 2.25,388 4.428,389 2.577,390 1.697,391 2.11,393 4.152,394 1.488,395 2.863,396 1.677,397 4.283,398 2.475,399 1.5,400 1.964,402 4.065,403 1.464,404 2.838,405 1.499,406 4.005,407 2.398,408 1.449,409 1.879,411 3.236,412 1.368,413 2.332,414 1.375,415 3.587,416 2.045,417 1.155,418 1.302,420 2.721,421 1.024,422 2.228,423 1.288,424 3.51,425 1.952,426 1,427 1.203,428 2.521,429 0.946,430 2.166,431 1.256,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2,439 1.256,440 3.287,441 1.934,442 1,443 1,445 2.136,446 0.927,447 2,448 1.013,449 3.247,450 1.869,451 1,452 1,454 2.136,455 0.866,456 1.971,457 0.517,458 3.247,459 1.442,460 0.498,461 0.728,463 1.309,464 0.469,465 13.967,466 0.466,467 0.64,468 0.021,469 37.25,470 1.242,471 15,472 0.5,473 22.25,474 0.742,475 28.614,476 0.954,477 33.433,478 0.587,479 27.738,480 0.925,481 7.008,482 0.234,483 7.696,484 0.257,485 0.072,487 0.337,493 0.906,494 1.811,495 0.78,496 1.388,497 0.827,498 1.109,499 1.233,500 0.896,501 0.914,502 0.864,503 0.993,504 0.855,505 1.137,506 1.296,507 0.934,508 0.958,509 1.02,510 0.92,511 0.915,512 0.87,513 0.942,514 0.756,515 1.192,516 0.811,517 0.871,518 1.293,519 0.933,520 0.974,521 1.066,522 0.942,523 1.292,524 1.209,525 1.214,526 1,527 1.375,528 1.042,529 0.827,530 1.074,531 1.144,532 1.083,533 0.836,534 1.137,535 0.868,536 0.989,537 1.147,538 1.181,539 0.879,540 1.196,541 4.5,542 0.082,543 2.889,544 1.979,545 1.593,546 1.107,547 0.926,548 0.576,549 0.282,550 0.165,551 10821,552 25290,553 2.186,554 47.4,555 6,556 20,560 1,564 1.74,565 2.093,566 3.115,567 -0.693,569 1,573 90.203,574 1.583,575 3.117,576 4.039,577 4.227,578 4.263,579 4.263,580 2.374,581 3.774,582 4.88,583 3.277,584 1425.34,585 8.575,586 19285.4,588 1,590 1,591 332.475,592 1.231,593 4.859,594 0.132,595 0.006,596 0.06,597 0.04,598 0.032,599 0.021,600 0.017,601 0.011,602 0.006,603 0.005,604 0.331,605 0.17,606 0.88,607 0.588,608 149.727,609 -0.015,610 -0.518,611 0.107,612 -0.248,613 0.002,614 -0.079,615 0.062,616 0.234,617 0.078,618 0.117,619 0.102,620 0.086,621 -0.073,622 -0.234,623 0.047,624 0.015,625 -0.021,626 0.039,627 -0.011,628 0.237,629 0.042,630 0.143,631 -0.072,632 0.11,633 0.043,634 -0.14,635 0.026,636 -0.012,637 0.061,638 0.005,639 -0.269,640 0.025,641 -0.251,642 -0.076,643 -0.318,644 -0.137,645 0.039,646 0.051,647 -0.2,648 -0.085,649 -0.035,650 -0.163,651 -0.123,652 0.037,653 -0.212,654 -0.137,655 -0.109,656 -0.172,657 1.104,658 2.023,659 0.9,660 24.867,661 1.004,662 1.141,663 3.531,664 12.47,665 0.641,666 3.555,667 3.892,668 4.22,669 4.554,670 4.852,671 4.97,672 5.193,673 5.38,674 5.489,675 5.576,676 5.761,677 0.611,678 409.55,679 3.555,680 5.106,681 5.979,682 6.876,683 7.774,684 8.682,685 9.59,686 10.504,687 11.418,688 12.336,689 12.3,695 2,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 57,733 16,734 1,735 34,737 61,738 21,739 10,740 2,741 4,746 5,747 6,752 2,761 10,762 11,763 1,778 1,781 27,782 8,784 9,787 1,790 7,794 0.8,795 2,811 1,812 4,815 1,839 2,840 4,844 2,848 30,854 8,856 2,858 1,859 2,870 3.5,874 2,877 14.333,878 10.9,879 6.528,880 3.696,881 3.242,882 1.407,883 0.99,884 5.549,885 11.216,886 3.761,887 4.353,888 4.996,889 5.663,890 6.259,891 6.67,892 7.16,893 7.622,894 7.905,895 8.249,896 0.833,897 50,898 11.122,900 4.727,901 7.511,902 21.788,904 18.129,905 2.011,906 60.333,908 1,909 1,910 317.82,911 94.661,912 75.29,914 22,917 94.661,918 339.82,919 75.29,920 17.65,921 26.792,922 37.905,923 91.47,924 10.292,925 7.841,926 317.82,928 317.82,929 169.951,930 22,933 317.82,935 22,937 56.511,938 46.298,939 67.142,941 317.82,942 97.29,943 94.661,946 317.82,947 39.106,948 63.703,950 89.142,951 317.82,952 97.29,953 94.661,955 0.578,956 0.343,957 0.2,958 0.119,959 25,960 10,961 0.066,962 4,963 1,964 1.074,965 4.039,966 292.148,967 0.074,968 27,969 119.207,974 19.677,975 8.46,976 3.907,977 1.954,978 95.391,979 8.137,980 19.5,984 2.947,985 2.079,987 509.771,988 42,999 57.203,1000 65.059,1001 0.271,1002 0.534,1003 0.692,1004 0.725,1005 0.731,1006 0.731,1007 5.017,1008 1.5,1009 5.958,1010 4.152,1011 4.575,1012 5.04,1013 1.771,1014 6.804,1015 4.421,1016 6.201,1017 1.449,1018 7.529,1019 4.065,1020 4.111,1021 4.844,1022 0.57,1023 7.763,1024 3.89,1025 7.506,1026 1.155,1027 9.206,1028 3.236,1029 6.184,1030 7.251,1031 1.413,1032 10.928,1033 5.879,1034 8.853,1035 1,1036 10.948,1037 2.721,1038 6.594,1039 7.971,1040 0.479,1041 12.771,1042 6.218,1043 10.241,1044 1,1045 12.733,1046 2.521,1047 8.113,1048 9.843,1049 1.15,1050 15.445,1051 7.659,1052 11.659,1053 1,1054 14.547,1055 2.509,1056 8.931,1057 10.993,1058 0.346,1059 17.65,1060 8.403,1061 13.1,1062 1,1063 16.383,1064 2.136,1065 10.226,1066 12.651,1067 0.93,1068 20.17,1069 9.625,1070 3.317,1071 0.498,1072 18.234,1073 2.136,1074 11.236,1075 14.004,1076 0.237,1077 22.529,1078 10.562,1079 2.973,1080 11.982,1081 20.098,1082 1.309,1083 12.446,1084 15.577,1085 0.742,1086 25.007,1087 11.702,1088 2.684,1089 9.642,1090 21.973,1091 4.642,1092 13.546,1093 17.025,1094 0.158,1095 27.432,1096 12.73,1097 2.442,1098 8.629,1099 23.856,1100 3.893,1101 14.727,1102 18.565,1103 0.583,1104 29.902,1105 13.843,1106 2.301,1107 7.878,1108 25.746,1109 3.187,1110 15.869,1111 20.056,1112 0.104,1113 32.357,1114 14.916,1115 1.874,1116 7.13,1117 27.642,1118 2.972,1119 17.045,1120 21.587,1121 0.452,1122 34.828,1123 16.024,1124 1.697,1125 5.053,1126 29.544,1127 2.751,1128 18.207,1129 23.098,1130 0.068,1131 37.296,1132 17.119,1133 10075,1134 15564,1135 23.463,1136 36.563,1137 51.956,1138 52.23,1139 52.47,1140 51.802,1141 51.782,1142 64.067,1143 6.64,1144 150.195,1145 47.888,1146 5.716,1147 5.446,1148 6.807,1149 5.353,1150 5.317,1151 7.642,1152 1.72,1153 19.241,1154 5.097,1155 9.889,1156 1.528,1157 1.536,1158 1.543,1159 1.524,1160 1.523,1161 1.884,1162 0.195,1163 4.418,1164 1.408,1165 4.145,1166 4.191,1167 4.121,1168 4.009,1169 5.131,1170 4.029,1171 3.886,1172 3.946,1173 3.834,1174 3.663,1175 4.92,1176 3.697,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.616,1182 3.533,1183 3.622,1184 3.68,1185 3.508,1186 3.502,1187 4.597,1188 3.491,1189 3.552,1190 3.614,1191 3.435,1192 3.319,1193 4.359,1194 3.347,1195 3.205,1196 3.276,1197 3.083,1198 3.013,1199 4.038,1200 3.026,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.022,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.959,1212 2.91,1213 0.139,1214 0.101,1215 0.206,1216 0.125,1217 0.098,1218 4.716,1219 0.137,1220 3.446,1221 0.025,1222 7.005,1223 0.352,1224 4.249,1225 0.091,1226 3.317,1227 4.642,1228 0.86,1229 11.982,1230 3.097,1231 1.926,1232 1.895,1233 2.015,1234 2.087,1235 1.209,1236 2.055,1237 1.794,1238 1.736,1239 1.949,1240 1.983,1241 1.187,1242 1.981,1243 1.702,1244 1.642,1245 1.928,1246 1.933,1247 1.169,1248 1.926,1249 1.679,1250 1.619,1251 1.903,1252 1.891,1253 1.097,1254 1.903,1255 1.458,1256 1.397,1257 1.576,1258 1.712,1259 0.825,1260 1.691,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.579,1272 1.429,1273 1.106,1274 1.038,1275 1.417,1276 1.366,1277 0.469,1278 1.34,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.844,1285 8.732,1286 7.066,1287 10.41,1289 4.287,1295 5.805,1297 11.047,1299 0.229,1300 4.347,1305 34.847,1306 90.203,1307 177.678,1308 230.21,1309 240.965,1310 242.965,1311 242.965,1312 37.867,1313 7.974,1314 81.43,1315 81.43,1316 29,1317 12.847,1318 4.087,1319 3.17,1320 41.055,1321 101,1322 102,1323 0.195,1324 210.303,1325 353.46,1326 504.9,1327 29984,1329 20.501,1330 0.683,1331 0.583,1332 20.501,1333 17.491,1334 14.704,1335 0.432,1336 0.312,1337 10.379,1338 13.901,1339 10.156,1340 8.339,1341 14.704,1342 10.597,1343 13.213,1344 0.275,1345 0.164,1346 13.213,1347 7.883,1348 11.382,1349 0.17,1350 0.082,1351 11.382,1352 5.491,1353 10.026,1354 0.107,1355 0.041,1356 10.026,1357 3.895,1358 8.781,1359 0.069,1360 0.022,1361 8.781,1362 2.742,1363 0.293,1364 93.504,1365 0.206,1366 27.482,1367 0.579,1368 164,1369 470.987,1370 186.437,1371 442.637,1372 625.28,1373 422,1374 197,1375 477.399,1376 221.549,1377 475.014,1378 713.42,1379 449,1380 6.366}
{0 CHEMBL2323118,1 1.613,2 10.125,3 3.88,4 15.057,5 123.056,6 7.206,7 0.444,8 4.234,9 4.36,10 3.79,11 3.648,12 5.244,13 3.659,14 4.835,15 5.034,16 4.159,17 4.042,18 5.812,19 4.036,20 5.01,21 5.228,22 4.22,23 4.194,24 5.936,25 4.159,26 5.067,27 5.315,28 4.232,29 4.23,30 6.022,31 4.18,32 5.038,33 5.266,34 4.279,35 4.243,36 6.031,37 4.202,38 5.055,39 5.269,40 4.302,41 4.275,42 6.025,43 4.251,44 5.174,45 5.389,46 4.326,47 4.392,48 6.085,49 4.327,50 5.311,51 5.539,52 4.25,53 4.501,54 6.119,55 4.394,56 0.044,57 0.949,58 13.673,59 4.882,60 7.39,61 7.165,62 0.654,63 1.481,64 28.647,65 8.269,66 36.886,67 11.93,68 0.579,69 1.754,70 34.105,71 9.078,72 34.512,73 14.751,74 0.719,75 1.875,76 36.464,77 9.344,78 47.991,79 15.522,80 0.606,81 1.865,82 34.622,83 9.121,84 48.879,85 15.508,86 0.577,87 1.964,88 34.723,89 8.152,90 41.736,91 14.061,92 0.848,93 2.068,94 39.545,95 11.477,96 45.236,97 18.136,98 0.608,99 2.212,100 45.835,101 15.085,102 40.683,103 22.412,104 14,105 51,106 0.261,107 0.517,108 0.689,109 0.708,110 0.708,111 0.708,112 3.503,113 0.927,114 -4.52,115 -4.44,116 -4.18,119 36.1,120 2,122 1,124 1,125 8,142 3,144 1,146 1,150 3,152 1,161 1,172 3,174 10,175 6,183 2,186 2,187 8,195 1,198 9,199 5,207 2,211 5,212 8,220 5,223 3,224 7,232 2,236 8,237 14,262 5,263 4,275 1792,276 22.093,277 22.093,278 22.093,279 22.093,280 22.093,281 20.404,282 34.567,283 13.077,284 23.123,285 17.769,286 17.769,287 17.769,288 17.769,289 17.769,290 14.919,291 48.533,292 6.182,293 19.365,294 4.318,295 2.729,296 1.668,297 1.545,298 1.545,299 1.545,300 4.213,304 1,305 1,306 712,307 3,310 65.459,311 364.123,314 124.752,318 1.398,319 28.351,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 70.5,331 324,332 4.725,333 3.452,334 7.007,335 4.257,336 3.324,337 4.658,338 0.86,339 11.994,340 3.107,341 4.283,342 3.199,343 6.301,344 3.888,345 2.978,346 3.905,347 0.86,348 9.647,349 2.706,350 3.917,351 3.013,352 6.016,353 3.591,354 2.684,355 3.372,356 0.86,357 8.629,358 2.477,359 3.795,360 2.857,361 5.904,362 3.543,363 2.587,364 2.972,365 0.8,366 8.162,367 2.432,368 3.514,369 2.565,370 5.6,371 3.25,372 2.309,373 2.772,374 0.8,375 7.141,376 2.166,377 3.443,378 2.41,379 5.213,380 3.059,381 2.129,382 2.71,384 6.38,385 1.968,386 3.082,387 2.25,388 4.728,389 2.751,390 1.846,391 2.262,393 4.991,394 1.667,395 2.896,396 2.227,397 4.426,398 2.577,399 1.697,400 1.986,402 4.166,403 1.488,404 2.838,405 1.658,406 4.283,407 2.445,408 1.491,409 1.879,411 4.065,412 1.418,413 2.388,414 1.452,415 4.003,416 2.099,417 1.203,418 1.368,420 2.925,421 1.075,422 2.229,423 1.288,424 3.511,425 1.952,426 1.042,427 1.207,428 2.641,429 0.946,430 2.166,431 1.256,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.058,439 1.256,440 3.386,441 1.948,442 1,443 1,445 2.136,446 0.937,447 2,448 1.173,449 3.247,450 1.869,451 1,452 1,454 2.136,455 0.866,456 2,457 0.981,458 3.247,459 1.586,460 0.665,461 0.891,463 1.597,464 0.608,465 14.8,466 0.463,467 0.709,468 0.022,469 39.25,470 1.227,471 15.5,472 0.484,473 23.75,474 0.742,475 31.603,476 0.988,477 36.2,478 0.593,479 30.681,480 0.959,481 7.492,482 0.234,483 8.143,484 0.254,485 0.101,487 0.351,493 0.911,494 1.848,495 0.779,496 1.44,497 0.829,498 1.133,499 1.288,500 0.862,501 0.9,502 0.81,503 1.024,504 0.801,505 1.135,506 1.317,507 0.945,508 0.973,509 1.025,510 0.93,511 0.83,512 0.924,513 0.949,514 0.83,515 1.108,516 0.872,517 0.727,518 1.296,519 0.879,520 0.993,521 0.945,522 0.946,523 1.172,524 1.21,525 1.168,526 0.985,527 1.312,528 1.017,529 0.825,530 1.083,531 1.118,532 1.079,533 0.744,534 1.123,535 1.01,536 1.052,537 1.204,538 1.21,539 1.001,540 1.231,541 5.5,542 0.16,543 3.111,544 2.167,545 1.824,546 1.33,547 1.145,548 0.688,549 0.351,550 0.271,551 12783,552 31336,553 2.154,554 47.5,555 6,556 22,560 1,564 1.755,565 2.043,566 3.256,567 -0.681,569 1,573 98.38,574 1.613,575 3.202,576 4.262,577 4.385,578 4.385,579 4.385,580 2.715,581 4.188,582 4.97,583 3.425,584 1698.84,585 8.755,586 23814.8,588 1,591 361.775,592 1.317,593 4.943,594 0.153,595 0.008,596 0.061,597 0.04,598 0.034,599 0.023,600 0.02,601 0.012,602 0.007,603 0.007,604 0.365,605 0.17,606 0.88,607 0.726,608 163.668,609 -0.027,610 -0.538,611 0.106,612 -0.274,613 0.002,614 -0.09,615 -0.009,616 0.258,617 0.098,618 0.173,619 0.083,620 0.141,621 -0.105,622 -0.223,623 0.027,624 0.019,625 -0.042,626 0.037,627 0.009,628 0.206,629 0.018,630 0.098,631 -0.059,632 0.066,633 0.085,634 -0.151,635 0.069,636 -0.013,637 0.079,638 0.022,639 -0.245,640 0.031,641 -0.212,642 -0.053,643 -0.318,644 -0.102,645 0.065,646 0.071,647 -0.174,648 -0.072,649 0.064,650 -0.149,651 -0.175,652 0.01,653 -0.269,654 -0.154,655 -0.158,656 -0.211,657 1.149,658 2.033,659 0.844,660 29.563,661 1.007,662 1.142,663 3.287,664 10.806,665 0.636,666 3.611,667 3.951,668 4.277,669 4.605,670 4.913,671 5.063,672 5.308,673 5.497,674 5.602,675 5.694,676 6.148,677 0.608,678 439.58,679 3.611,680 5.165,681 6.038,682 6.936,683 7.834,684 8.744,685 9.653,686 10.569,687 11.485,688 12.405,689 11.5,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 61,733 16,734 1,735 36,737 65,738 22,739 10,740 3,741 3,746 5,747 6,752 2,761 10,762 12,763 1,778 1,781 29,782 9,784 10,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 3,848 32,854 8,856 3,858 1,859 2,870 4.9,874 2,875 1,877 15.667,878 11.983,879 7.028,880 3.849,881 3.257,882 1.4,883 0.977,884 6.242,885 11.396,886 3.807,887 4.404,888 5.046,889 5.712,890 6.325,891 6.773,892 7.283,893 7.747,894 8.043,895 8.388,896 0.857,897 54,898 11.853,900 5.004,901 7.547,902 23.097,904 19.017,905 2.047,906 65.5,909 1,910 341.362,911 101.311,912 75.29,914 33,917 101.311,918 374.362,919 75.29,920 28.533,921 26.792,922 28.429,923 91.47,924 26.535,925 7.841,926 341.362,928 341.362,929 176.601,930 33,933 341.362,934 11,935 22,937 56.511,938 52.948,939 67.142,941 341.362,942 108.29,943 101.311,946 341.362,947 44.349,948 65.11,950 100.142,951 341.362,952 108.29,953 101.311,955 0.578,956 0.345,957 0.196,958 0.117,959 26,960 11,961 0.077,962 5,963 1,964 1.074,965 4.167,966 318.004,967 0.074,968 27,969 134,974 21.53,975 9.278,976 4.337,977 1.802,978 106.39,979 5.905,980 19.558,984 3.602,985 2.051,987 550.963,988 44,999 61.414,1000 69.684,1001 0.272,1002 0.54,1003 0.719,1004 0.739,1005 0.739,1006 0.739,1007 5.069,1008 1.697,1009 6.023,1010 4.991,1011 4.635,1012 5.091,1013 1.996,1014 6.87,1015 4.474,1016 6.258,1017 1.491,1018 7.597,1019 4.166,1020 4.205,1021 4.945,1022 0.57,1023 7.83,1024 3.983,1025 7.569,1026 1.203,1027 9.274,1028 4.065,1029 6.252,1030 7.31,1031 1.649,1032 10.98,1033 5.941,1034 8.92,1035 1.042,1036 11.014,1037 2.925,1038 6.673,1039 8.051,1040 0.479,1041 12.808,1042 6.298,1043 10.31,1044 1,1045 12.794,1046 2.641,1047 8.176,1048 9.9,1049 1.378,1050 15.478,1051 7.72,1052 11.728,1053 1,1054 14.602,1055 2.509,1056 8.994,1057 11.056,1058 0.346,1059 17.673,1060 8.47,1061 13.168,1062 1,1063 16.431,1064 2.136,1065 10.28,1066 12.703,1067 1.142,1068 20.192,1069 9.683,1070 3.324,1071 0.665,1072 18.277,1073 2.136,1074 11.288,1075 14.058,1076 0.237,1077 22.547,1078 10.622,1079 2.978,1080 11.994,1081 20.135,1082 1.597,1083 12.493,1084 15.627,1085 0.933,1086 25.024,1087 11.758,1088 2.684,1089 9.647,1090 22.005,1091 4.658,1092 13.591,1093 17.076,1094 0.158,1095 27.447,1096 12.787,1097 2.587,1098 8.629,1099 23.884,1100 3.905,1101 14.77,1102 18.616,1103 0.751,1104 29.918,1105 13.899,1106 2.309,1107 8.162,1108 25.77,1109 3.372,1110 15.91,1111 20.109,1112 0.104,1113 32.372,1114 14.972,1115 2.129,1116 7.141,1117 27.664,1118 2.972,1119 17.085,1120 21.641,1121 0.596,1122 34.844,1123 16.081,1124 1.846,1125 6.38,1126 29.564,1127 2.772,1128 18.247,1129 23.155,1130 0.068,1131 37.312,1132 17.177,1133 12019,1134 18982,1135 24.561,1136 38.779,1137 54.693,1138 55.5,1139 55.718,1140 54.589,1141 54.629,1142 67.089,1143 8.36,1144 159.434,1145 50.242,1146 5.725,1147 5.452,1148 6.809,1149 5.36,1150 5.324,1151 7.658,1152 1.72,1153 19.279,1154 5.107,1155 12.903,1156 1.519,1157 1.542,1158 1.548,1159 1.516,1160 1.517,1161 1.864,1162 0.232,1163 4.429,1164 1.396,1165 4.148,1166 4.192,1167 4.127,1168 4.009,1169 5.137,1170 4.032,1171 3.887,1172 3.945,1173 3.837,1174 3.662,1175 4.944,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.64,1182 3.533,1183 3.64,1184 3.689,1185 3.539,1186 3.505,1187 4.616,1188 3.5,1189 3.552,1190 3.615,1191 3.439,1192 3.321,1193 4.583,1194 3.348,1195 3.322,1196 3.38,1197 3.184,1198 3.069,1199 4.184,1200 3.093,1201 3.111,1202 3.206,1203 2.877,1204 2.941,1205 4.022,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.974,1212 2.91,1213 0.131,1214 0.096,1215 0.195,1216 0.118,1217 0.092,1218 4.725,1219 0.129,1220 3.452,1221 0.024,1222 7.007,1223 0.333,1224 4.257,1225 0.086,1226 3.324,1227 4.658,1228 0.86,1229 11.994,1230 3.107,1231 1.921,1232 1.895,1233 1.996,1234 2.087,1235 1.209,1236 2.054,1237 1.793,1238 1.737,1239 1.945,1240 1.989,1241 1.187,1242 1.978,1243 1.702,1244 1.642,1245 1.928,1246 1.933,1247 1.169,1248 1.926,1249 1.679,1250 1.619,1251 1.903,1252 1.892,1253 1.098,1254 1.903,1255 1.459,1256 1.399,1257 1.595,1258 1.716,1259 0.825,1260 1.694,1261 1.205,1262 1.139,1263 1.543,1264 1.517,1265 0.825,1266 1.529,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.602,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.543,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.844,1285 8.793,1286 7.066,1287 10.473,1289 5.917,1295 5.682,1297 16.474,1299 0.184,1300 4.325,1305 37.089,1306 98.38,1307 195.299,1308 260.001,1309 267.51,1310 267.51,1311 267.51,1312 42.949,1313 8.14,1314 90.66,1315 90.66,1316 29,1317 12.915,1318 4.087,1319 3.17,1320 45.17,1321 114,1322 137,1323 0.189,1324 223.892,1325 379.55,1326 538.056,1327 36425,1329 22.079,1330 0.69,1331 0.588,1332 22.079,1333 18.821,1334 15.635,1335 0.434,1336 0.309,1337 10.86,1338 14.676,1339 10.591,1340 8.715,1341 15.635,1342 11.12,1343 14.016,1344 0.275,1345 0.162,1346 14.016,1347 8.249,1348 12.141,1349 0.171,1350 0.082,1351 12.141,1352 5.792,1353 10.524,1354 0.106,1355 0.041,1356 10.524,1357 4.056,1358 9.201,1359 0.068,1360 0.021,1361 9.201,1362 2.854,1363 0.286,1364 100.21,1365 0.202,1366 29.085,1367 0.556,1368 174,1369 526.722,1370 199.315,1371 489.002,1372 685.65,1373 466,1374 209,1375 517.945,1376 236.207,1377 515.691,1378 771.23,1379 485,1380 5}
{0 CHEMBL2323119,1 1.613,2 9.5,3 3.88,4 15.057,5 123.056,6 7.206,7 0.444,8 4.234,9 4.36,10 3.79,11 3.648,12 5.244,13 3.659,14 4.835,15 5.034,16 4.159,17 4.042,18 5.812,19 4.036,20 5.01,21 5.228,22 4.22,23 4.194,24 5.937,25 4.159,26 5.067,27 5.315,28 4.232,29 4.23,30 6.014,31 4.18,32 5.041,33 5.266,34 4.296,35 4.244,36 6.039,37 4.209,38 5.065,39 5.274,40 4.338,41 4.289,42 6.059,43 4.269,44 5.196,45 5.412,46 4.342,47 4.41,48 6.105,49 4.347,50 5.331,51 5.559,52 4.276,53 4.513,54 6.156,55 4.406,56 0.044,57 0.949,58 13.673,59 4.882,60 7.39,61 7.165,62 0.654,63 1.481,64 28.647,65 8.269,66 36.886,67 11.93,68 0.579,69 1.754,70 34.105,71 9.078,72 34.845,73 14.751,74 0.719,75 1.875,76 36.464,77 9.344,78 46.217,79 15.522,80 0.608,81 1.865,82 34.708,83 9.094,84 49.067,85 15.415,86 0.654,87 1.985,88 35.041,89 8.31,90 45.383,91 14.236,92 0.777,93 2.118,94 40.385,95 11.578,96 43.889,97 18.39,98 0.778,99 2.241,100 47.031,101 15.131,102 47.754,103 22.586,104 14,105 51,106 0.261,107 0.517,108 0.689,109 0.708,110 0.708,111 0.708,112 3.504,113 0.927,114 -4.52,115 -4.44,116 -4.18,119 36.1,120 2,122 1,124 1,125 8,142 3,144 1,146 1,150 3,152 1,161 1,172 3,174 10,175 6,183 2,186 2,187 8,195 1,198 9,199 5,207 2,211 5,212 6,220 5,223 5,224 9,232 2,236 6,237 11,249 3,250 3,262 2,263 4,275 1784,276 22.093,277 22.093,278 22.093,279 22.093,280 22.093,281 20.404,282 34.567,283 13.079,284 23.123,285 17.769,286 17.769,287 17.769,288 17.769,289 17.769,290 14.919,291 48.533,292 6.187,293 19.365,294 4.318,295 2.729,296 1.668,297 1.545,298 1.545,299 1.545,300 4.213,304 1,305 1,306 667,307 3,310 65.459,311 363.198,314 124.752,318 1.281,319 28.448,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 70.5,331 304,332 4.727,333 3.455,334 7.01,335 4.259,336 3.326,337 4.661,338 0.86,339 12.007,340 3.109,341 4.281,342 3.2,343 6.301,344 3.887,345 2.978,346 3.902,347 0.86,348 9.647,349 2.705,350 3.897,351 3.013,352 6.016,353 3.591,354 2.684,355 3.341,356 0.86,357 8.629,358 2.47,359 3.795,360 2.847,361 5.9,362 3.532,363 2.573,364 2.972,365 0.8,366 8.108,367 2.432,368 3.55,369 2.554,370 5.588,371 3.233,372 2.302,373 2.887,374 0.8,375 7.139,376 2.14,377 3.44,378 2.416,379 5.213,380 3.092,381 2.152,382 2.648,384 6.408,385 2.009,386 3.094,387 2.251,388 4.76,389 2.779,390 1.872,391 2.259,393 5.058,394 1.696,395 2.871,396 2.25,397 4.428,398 2.577,399 1.697,400 1.967,402 4.14,403 1.488,404 2.838,405 1.676,406 4.283,407 2.406,408 1.466,409 1.879,411 4.065,412 1.374,413 2.352,414 1.393,415 3.976,416 2.071,417 1.168,418 1.327,420 2.851,421 1.052,422 2.236,423 1.288,424 3.512,425 1.964,426 1.054,427 1.215,428 2.643,429 0.951,430 2.166,431 1.256,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.087,439 1.256,440 3.394,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 1.189,449 3.247,450 1.869,451 1,452 1,454 2.136,455 0.866,456 2,457 0.986,458 3.247,459 1.598,460 0.68,461 0.922,463 1.627,464 0.619,465 14.8,466 0.463,467 0.709,468 0.022,469 39.25,470 1.227,471 15.5,472 0.484,473 23.75,474 0.742,475 31.72,476 0.991,477 36.2,478 0.593,479 30.778,480 0.962,481 7.492,482 0.234,483 8.143,484 0.254,485 0.101,487 0.351,493 0.911,494 1.848,495 0.779,496 1.44,497 0.829,498 1.133,499 1.288,500 0.862,501 0.9,502 0.81,503 1.024,504 0.801,505 1.135,506 1.317,507 0.945,508 0.973,509 1.021,510 0.93,511 0.83,512 0.924,513 0.949,514 0.83,515 1.143,516 0.872,517 0.762,518 1.296,519 0.87,520 0.989,521 0.936,522 0.933,523 1.116,524 1.202,525 1.139,526 0.979,527 1.171,528 1.009,529 0.896,530 1.128,531 1.131,532 1.1,533 0.878,534 1.13,535 0.984,536 0.985,537 1.211,538 1.162,539 1.044,540 1.211,541 5.5,542 0.115,543 3.111,544 2.042,545 1.824,546 1.386,547 1.063,548 0.662,549 0.413,550 0.261,551 12615,552 30816,553 2.154,554 47.5,555 6,556 22,560 1,564 1.756,565 2.043,566 3.211,567 -0.681,569 1,573 98.38,574 1.613,575 3.202,576 4.262,577 4.385,578 4.385,579 4.385,580 2.604,581 4.188,582 4.971,583 3.363,584 1667.96,585 8.763,586 23520.3,588 1,591 361.775,592 1.317,593 4.943,594 0.153,595 0.005,596 0.061,597 0.038,598 0.034,599 0.024,600 0.018,601 0.011,602 0.008,603 0.007,604 0.358,605 0.17,606 0.88,607 0.726,608 163.276,609 -0.027,610 -0.538,611 0.106,612 -0.274,613 0.002,614 -0.09,615 -0.009,616 0.258,617 0.098,618 0.173,619 0.083,620 0.141,621 -0.105,622 -0.223,623 0.027,624 0.019,625 -0.038,626 0.037,627 0.009,628 0.206,629 0.018,630 0.098,631 -0.097,632 0.066,633 0.083,634 -0.151,635 0.082,636 -0.011,637 0.098,638 0.032,639 -0.161,640 0.043,641 -0.181,642 -0.044,643 -0.182,644 -0.094,645 -0.01,646 0.026,647 -0.187,648 -0.097,649 -0.029,650 -0.157,651 -0.11,652 0.08,653 -0.268,654 -0.12,655 -0.152,656 -0.202,657 1.149,658 2.035,659 0.844,660 28.578,661 1.007,662 1.142,663 3.287,664 10.806,665 0.636,666 3.611,667 3.951,668 4.277,669 4.605,670 4.92,671 5.069,672 5.298,673 5.497,674 5.613,675 5.69,676 6.035,677 0.608,678 439.58,679 3.611,680 5.165,681 6.038,682 6.936,683 7.835,684 8.745,685 9.655,686 10.571,687 11.487,688 12.408,689 11.5,695 2,697 1,699 4,702 1,703 2,704 3,705 4,709 5,710 1,711 16,726 2,729 1,731 61,733 16,734 1,735 36,737 65,738 22,739 10,740 3,741 3,746 5,747 6,752 2,761 10,762 12,763 1,778 1,781 29,782 9,784 10,787 1,790 7,794 0.8,795 3,811 1,812 4,815 1,839 2,840 4,844 3,848 32,854 8,856 3,858 1,859 2,870 4.9,874 2,875 1,877 15.667,878 11.983,879 7.028,880 3.849,881 3.252,882 1.4,883 0.977,884 6.242,885 11.392,886 3.807,887 4.404,888 5.046,889 5.712,890 6.331,891 6.777,892 7.273,893 7.747,894 8.049,895 8.382,896 1,897 54,898 11.854,900 5.006,901 7.547,902 23.097,904 19.017,905 2.047,906 65.5,909 1,910 341.362,911 101.311,912 75.29,914 33,917 101.311,918 374.362,919 75.29,920 28.533,921 26.792,922 28.429,923 91.47,924 26.535,925 7.841,926 341.362,928 341.362,929 176.601,930 33,933 341.362,934 11,935 22,937 56.511,938 52.948,939 67.142,941 341.362,942 108.29,943 101.311,946 341.362,947 44.349,948 65.11,950 100.142,951 341.362,952 108.29,953 101.311,955 0.578,956 0.344,957 0.196,958 0.118,959 26,960 11,961 0.077,962 5,963 1,964 1.074,965 4.151,966 319.083,967 0.074,968 27,969 134,974 21.53,975 9.278,976 4.337,977 1.802,978 106.39,979 5.889,980 19.558,984 3.575,985 2.04,987 550.963,988 44,999 61.414,1000 69.684,1001 0.272,1002 0.54,1003 0.719,1004 0.739,1005 0.739,1006 0.739,1007 5.069,1008 1.697,1009 6.023,1010 5.058,1011 4.635,1012 5.091,1013 1.996,1014 6.87,1015 4.474,1016 6.258,1017 1.466,1018 7.597,1019 4.14,1020 4.205,1021 4.945,1022 0.57,1023 7.83,1024 3.983,1025 7.569,1026 1.168,1027 9.274,1028 4.065,1029 6.252,1030 7.31,1031 1.649,1032 10.981,1033 5.941,1034 8.92,1035 1.054,1036 11.014,1037 2.851,1038 6.673,1039 8.051,1040 0.479,1041 12.809,1042 6.298,1043 10.31,1044 1,1045 12.794,1046 2.643,1047 8.176,1048 9.9,1049 1.378,1050 15.48,1051 7.72,1052 11.728,1053 1,1054 14.602,1055 2.509,1056 8.994,1057 11.056,1058 0.346,1059 17.676,1060 8.47,1061 13.168,1062 1,1063 16.431,1064 2.136,1065 10.281,1066 12.703,1067 1.142,1068 20.197,1069 9.684,1070 3.326,1071 0.68,1072 18.277,1073 2.136,1074 11.289,1075 14.059,1076 0.237,1077 22.553,1078 10.623,1079 2.978,1080 12.007,1081 20.136,1082 1.627,1083 12.494,1084 15.628,1085 0.933,1086 25.032,1087 11.759,1088 2.684,1089 9.647,1090 22.006,1091 4.661,1092 13.593,1093 17.078,1094 0.158,1095 27.457,1096 12.789,1097 2.573,1098 8.629,1099 23.885,1100 3.902,1101 14.773,1102 18.619,1103 0.751,1104 29.929,1105 13.902,1106 2.302,1107 8.108,1108 25.772,1109 3.341,1110 15.914,1111 20.112,1112 0.104,1113 32.385,1114 14.976,1115 2.152,1116 7.139,1117 27.666,1118 2.972,1119 17.089,1120 21.645,1121 0.596,1122 34.858,1123 16.086,1124 1.872,1125 6.408,1126 29.566,1127 2.887,1128 18.253,1129 23.159,1130 0.068,1131 37.328,1132 17.183,1133 11863,1134 18708,1135 24.561,1136 38.779,1137 54.709,1138 55.488,1139 55.735,1140 54.598,1141 54.634,1142 67.097,1143 8.36,1144 159.455,1145 50.246,1146 5.727,1147 5.455,1148 6.812,1149 5.362,1150 5.326,1151 7.661,1152 1.72,1153 19.272,1154 5.109,1155 12.83,1156 1.52,1157 1.541,1158 1.548,1159 1.517,1160 1.518,1161 1.864,1162 0.232,1163 4.429,1164 1.396,1165 4.148,1166 4.192,1167 4.127,1168 4.009,1169 5.137,1170 4.032,1171 3.887,1172 3.945,1173 3.837,1174 3.662,1175 4.942,1176 3.698,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.645,1182 3.533,1183 3.639,1184 3.688,1185 3.537,1186 3.505,1187 4.616,1188 3.499,1189 3.552,1190 3.615,1191 3.44,1192 3.321,1193 4.587,1194 3.348,1195 3.322,1196 3.38,1197 3.18,1198 3.068,1199 4.18,1200 3.092,1201 3.111,1202 3.206,1203 2.941,1204 2.941,1205 4.022,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.004,1212 2.91,1213 0.131,1214 0.096,1215 0.195,1216 0.118,1217 0.092,1218 4.727,1219 0.129,1220 3.455,1221 0.024,1222 7.01,1223 0.334,1224 4.259,1225 0.086,1226 3.326,1227 4.661,1228 0.86,1229 12.007,1230 3.109,1231 1.921,1232 1.895,1233 1.995,1234 2.087,1235 1.209,1236 2.053,1237 1.794,1238 1.736,1239 1.946,1240 1.989,1241 1.187,1242 1.978,1243 1.702,1244 1.642,1245 1.928,1246 1.933,1247 1.169,1248 1.926,1249 1.679,1250 1.619,1251 1.903,1252 1.892,1253 1.098,1254 1.903,1255 1.459,1256 1.398,1257 1.587,1258 1.715,1259 0.825,1260 1.693,1261 1.205,1262 1.137,1263 1.556,1264 1.518,1265 0.825,1266 1.531,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.593,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.559,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.844,1285 8.793,1286 7.066,1287 10.473,1289 5.922,1295 5.658,1297 16.552,1299 0.184,1300 4.32,1305 37.089,1306 98.38,1307 195.299,1308 260.001,1309 267.51,1310 267.51,1311 267.51,1312 43.051,1313 8.14,1314 90.66,1315 90.66,1316 29,1317 12.917,1318 4.087,1319 3.17,1320 45.112,1321 112,1322 121,1323 0.192,1324 223.892,1325 379.55,1326 538.056,1327 36425,1329 22.079,1330 0.69,1331 0.588,1332 22.079,1333 18.821,1334 15.635,1335 0.434,1336 0.309,1337 10.86,1338 14.676,1339 10.591,1340 8.715,1341 15.635,1342 11.12,1343 14.016,1344 0.275,1345 0.162,1346 14.016,1347 8.249,1348 12.148,1349 0.171,1350 0.082,1351 12.148,1352 5.792,1353 10.484,1354 0.106,1355 0.041,1356 10.484,1357 4.051,1358 9.236,1359 0.068,1360 0.021,1361 9.236,1362 2.865,1363 0.289,1364 100.21,1365 0.202,1366 28.998,1367 0.568,1368 174,1369 526.722,1370 199.315,1371 489.002,1372 685.65,1373 466,1374 209,1375 517.945,1376 236.207,1377 515.691,1378 771.23,1379 485,1380 5.979}
{0 CHEMBL2325697,1 1.671,2 8.138,3 3.039,4 9.233,5 109.657,6 7.784,7 0.485,8 4.092,9 4.196,10 3.843,11 3.672,12 5.077,13 3.626,14 4.672,15 4.831,16 4.155,17 4.068,18 5.817,19 4.013,20 4.918,21 5.106,22 4.224,23 4.21,24 5.978,25 4.151,26 4.988,27 5.189,28 4.155,29 4.236,30 6.095,31 4.147,32 4.988,33 5.234,34 4.169,35 4.19,36 5.953,37 4.099,38 4.881,39 5.089,40 4.236,41 4.214,42 5.916,43 4.136,44 4.941,45 5.095,46 4.35,47 4.387,48 5.94,49 4.278,50 5.232,51 5.425,52 4.298,53 4.459,54 6.27,55 4.31,56 0.077,57 0.831,58 13.398,59 5.488,60 15.202,61 6.504,62 0.366,63 1.366,64 25.729,65 9.357,66 60.6,67 11.315,68 0.491,69 1.665,70 34.114,71 10.958,72 53.666,73 13.83,74 0.555,75 1.752,76 33.422,77 11.627,78 78.678,79 15.309,80 0.488,81 1.764,82 35.485,83 11.258,84 52.145,85 16.072,86 0.511,87 1.641,88 30.195,89 10.518,90 46.341,91 14.03,92 0.291,93 1.806,94 33.562,95 13.492,96 36.827,97 16,98 0.433,99 2.104,100 51.538,101 18.658,102 79.082,103 22.403,104 18,105 51,106 0.275,107 0.619,108 0.804,109 0.852,110 0.859,111 0.859,112 3.41,113 1.071,114 -3.8,115 -3.76,116 -3.57,119 39.6,120 1,121 2,124 1,125 3,127 1,130 1,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 6,174 3,175 6,180 3,183 5,186 1,187 11,192 2,195 6,198 3,199 8,204 1,207 3,211 1,212 9,215 2,220 4,223 4,224 5,232 7,236 1,237 6,240 1,242 1,245 9,250 10,255 2,258 4,262 2,263 4,266 2,268 1,271 1,275 1215,276 19.38,277 19.38,278 19.38,279 19.38,280 19.38,281 17.313,282 18.024,283 10.928,284 20.032,285 16.266,286 16.266,287 16.266,288 16.266,289 16.266,290 13.011,291 25.968,292 5.112,293 17.378,294 4.057,295 1.974,296 0.851,297 0.557,298 0.519,299 0.519,300 4.105,304 1,305 1,306 523,307 3.606,308 48.798,310 59.621,311 251.645,314 110.991,318 1.049,319 35.862,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 236,332 5.126,333 5.471,334 8.536,335 4.807,336 3.9,337 4.751,338 3.272,339 16.742,340 3.528,341 4.584,342 3.426,343 6.711,344 4.131,345 3.159,346 4.512,347 0.86,348 10.913,349 3.083,350 4.244,351 3.253,352 6.466,353 3.912,354 2.976,355 3.873,356 0.8,357 10.002,358 2.77,359 3.887,360 3.111,361 6.146,362 3.507,363 2.572,364 3.127,366 8.35,367 2.395,368 3.756,369 2.563,370 5.763,371 3.307,372 2.363,373 3.095,375 7.687,376 2.2,377 3.31,378 2.278,379 5.176,380 2.991,381 2.034,382 2.471,384 6.043,385 1.941,386 3.048,387 1.968,388 4.856,389 2.59,390 1.647,391 2.322,393 4.888,394 1.55,395 2.94,396 1.737,397 4.548,398 2.544,399 1.548,400 2.061,402 4.197,403 1.541,404 2.795,405 1.548,406 4.017,407 2.331,408 1.414,409 1.898,411 3.504,412 1.299,413 2.5,414 1.437,415 3.873,416 2.314,417 1.362,418 1.5,420 3.089,421 1.281,422 2.414,423 1.294,424 3.582,425 1.971,426 1.045,427 1.414,428 2.69,429 0.968,430 2.173,431 1.216,432 3.458,433 1.937,434 1,435 1.148,436 2.231,437 0.925,438 1.956,439 1,440 3.405,441 1.436,442 0.473,443 0.697,445 1.219,446 0.454,447 1.116,448 0.474,449 3.159,450 0.905,451 -0.052,452 -0.057,454 -0.136,455 -0.049,456 1.015,457 0.152,458 3.079,459 0.779,460 -0.155,461 -0.164,463 -0.354,464 -0.143,465 13.933,466 0.48,467 0.955,468 0.033,469 37.25,470 1.284,471 17.5,472 0.603,473 19.75,474 0.681,475 27.309,476 0.942,477 31.667,478 0.597,479 28.44,480 0.981,481 6.635,482 0.229,483 7.254,484 0.25,485 0.12,486 0.096,487 0.28,493 0.634,494 1.39,495 0.817,496 1.219,497 0.652,498 0.978,499 0.959,500 1.131,501 1.019,502 1.043,503 0.608,504 0.903,505 1.269,506 1.089,507 1.088,508 0.99,509 1.241,510 0.913,511 1.114,512 1.122,513 0.987,514 0.963,515 1.153,516 1.077,517 0.725,518 0.973,519 0.72,520 0.806,521 0.698,522 0.843,523 0.78,524 0.866,525 0.804,526 0.754,527 0.632,528 0.822,529 0.838,530 1.129,531 1.301,532 1.317,533 0.803,534 1.235,535 1.039,536 1.307,537 1.417,538 1.567,539 1.292,540 1.393,541 7,542 0.005,543 4.222,544 2.986,545 1.167,546 1.344,547 1.152,548 0.829,549 0.441,550 0.244,551 9659,552 25074,553 2.132,554 45.3,556 15,557 1,559 1,561 7,564 1.731,565 1.977,566 2.99,567 -0.302,568 1,569 1,573 88.547,574 1.671,575 3.754,576 4.877,577 5.171,578 5.209,579 5.209,580 2.245,581 4.237,582 4.834,583 3.175,584 1289.11,585 8.479,586 17075.9,588 1,590 1,591 303.58,592 1.665,593 4.771,594 0.212,595 0.002,596 0.088,597 0.057,598 0.025,599 0.029,600 0.023,601 0.015,602 0.009,603 0.01,604 0.47,605 0.33,606 0.88,607 0.729,608 142.576,609 0.059,610 -0.176,611 0.204,612 -0.056,613 -0.12,614 0.025,615 0.052,616 -0.012,617 0.023,618 0.029,619 0.213,620 0.064,621 -0.161,622 -0.015,623 -0.088,624 0.006,625 -0.12,626 0.033,627 -0.104,628 -0.089,629 -0.138,630 -0.064,631 -0.075,632 -0.138,633 0.051,634 0.044,635 0.15,636 0.081,637 -0.017,638 0.119,639 0.064,640 0.225,641 0.094,642 0.182,643 0.076,644 0.129,645 -0.068,646 0.013,647 -0.207,648 -0.158,649 -0.029,650 -0.23,651 -0.069,652 -0.333,653 -0.266,654 -0.411,655 -0.057,656 -0.36,657 4.192,658 5.588,659 0.828,660 21.7,661 1.006,662 1.126,663 2.567,664 6.592,665 0.673,666 3.526,667 3.951,668 4.263,669 4.533,670 4.691,671 4.883,672 5.124,673 5.308,674 5.347,675 5.425,676 5.516,677 0.636,678 412.56,679 3.526,680 5.13,681 6.033,682 6.967,683 7.89,684 8.83,685 9.762,686 10.705,687 11.642,688 12.589,689 7.5,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 53,733 18,734 1,735 33,737 57,738 21,739 12,740 3,741 3,746 5,747 6,752 1,755 3,756 1,758 3,761 12,762 9,763 1,766 2,769 1,771 2,778 1,781 24,782 6,783 1,784 8,785 1,790 4,794 0.8,795 3,806 1,807 1,809 1,811 1,812 3,815 1,839 1,840 4,842 1,844 2,848 29,851 1,854 5,856 1,858 1,859 1,860 1,870 5.7,873 2,874 1,877 14.667,878 10.1,879 6.035,880 3.243,881 3.209,882 1.415,883 1.005,884 4.374,885 10.936,886 3.784,887 4.463,888 5.03,889 5.651,890 6.155,891 6.59,892 7.107,893 7.568,894 7.831,895 8.218,896 0.667,897 52,898 11,900 5.138,901 7.741,902 20.977,904 18.643,905 2.241,906 65,909 1,910 270.735,911 110.165,912 53.481,914 55.313,916 6.046,917 104.119,918 326.048,919 53.481,920 16.016,921 16.36,922 62.475,923 88.884,924 30.753,925 16.243,926 258.964,928 270.735,929 157.6,930 55.313,931 6.046,933 190.666,934 126.711,935 11,937 44.727,938 76.974,939 39.617,941 270.735,942 108.794,943 110.165,945 6.046,946 270.735,947 31.675,948 75.569,949 16.786,950 88.884,951 270.735,952 108.794,953 110.165,955 0.608,956 0.359,957 0.189,958 0.088,959 29,960 12,961 0.07,962 4,963 1,964 1.083,965 3.878,966 285.173,967 0.083,968 24,969 136.881,973 1,974 18.895,975 6.713,976 3.208,977 2.025,978 92.008,979 11.721,980 9.673,981 3.218,984 2.836,986 16.786,987 489.694,988 43,991 -3.276,993 25.175,999 53.302,1000 59.693,1001 0.292,1002 0.655,1003 0.851,1004 0.903,1005 0.909,1006 0.909,1007 5.088,1008 1.548,1009 6.103,1010 4.888,1011 4.635,1012 5.15,1013 3.213,1014 7.081,1015 4.509,1016 6.365,1017 1.414,1018 7.784,1019 4.197,1020 4.635,1021 5.345,1022 0.325,1023 8.657,1024 4.409,1025 7.76,1026 1.362,1027 9.597,1028 3.504,1029 6.479,1030 7.52,1031 5.446,1032 11.796,1033 6.204,1034 9.199,1035 1.045,1036 11.498,1037 3.089,1038 7.294,1039 8.506,1040 0.268,1041 14.229,1042 6.902,1043 10.678,1044 1,1045 13.458,1046 2.69,1047 8.738,1048 10.256,1049 7.807,1050 17.088,1051 8.283,1052 12.185,1053 0.473,1054 15.463,1055 2.231,1056 9.875,1057 11.562,1058 0.188,1059 19.791,1060 9.302,1061 13.714,1062 -0.052,1063 17.5,1064 1.219,1065 11.218,1066 13.169,1067 10.177,1068 22.607,1069 10.562,1070 3.9,1071 -0.155,1072 19.562,1073 -0.136,1074 12.48,1075 14.606,1076 0.125,1077 25.39,1078 11.709,1079 3.159,1080 16.742,1081 21.644,1082 -0.354,1083 13.808,1084 16.165,1085 12.548,1086 28.202,1087 12.939,1088 2.976,1089 10.913,1090 23.741,1091 4.751,1092 15.119,1093 17.658,1094 0.082,1095 31.009,1096 14.138,1097 2.572,1098 10.002,1099 25.848,1100 4.512,1101 16.453,1102 19.2,1103 14.919,1104 33.824,1105 15.368,1106 2.363,1107 8.35,1108 27.965,1109 3.873,1110 17.787,1111 20.718,1112 0.054,1113 36.638,1114 16.591,1115 2.034,1116 7.687,1117 30.088,1118 3.127,1119 19.129,1120 22.257,1121 17.29,1122 39.454,1123 17.825,1124 1.647,1125 6.043,1126 32.216,1127 3.095,1128 20.474,1129 23.787,1130 0.035,1131 42.271,1132 19.061,1133 9044,1134 14708,1135 21.959,1136 35.648,1137 51.587,1138 53.493,1139 52.844,1140 51.048,1141 50.984,1142 65.737,1143 9.865,1144 163.108,1145 47.868,1146 6.126,1147 7.471,1148 8.22,1149 5.91,1150 5.9,1151 7.751,1152 6.545,1153 25.641,1154 5.528,1155 13.55,1156 1.563,1157 1.621,1158 1.601,1159 1.547,1160 1.545,1161 1.992,1162 0.299,1163 4.943,1164 1.451,1165 4.184,1166 4.198,1167 4.756,1168 4.161,1169 7.714,1170 4.095,1171 4.091,1172 4.098,1173 4.094,1174 4.032,1175 6.999,1176 4.007,1177 3.856,1178 3.9,1179 3.839,1180 3.682,1181 5.048,1182 3.686,1183 3.641,1184 3.674,1185 3.613,1186 3.487,1187 4.865,1188 3.472,1189 3.471,1190 3.504,1191 3.421,1192 3.339,1193 4.613,1194 3.304,1195 3.367,1196 3.424,1197 3.258,1198 3.245,1199 4.286,1200 3.237,1201 3.264,1202 3.35,1203 3.037,1204 3.087,1205 4.19,1206 3.063,1207 2.994,1208 3.044,1209 2.908,1210 2.882,1211 3.987,1212 2.881,1213 0.155,1214 0.166,1215 0.259,1216 0.146,1217 0.118,1218 5.126,1219 0.144,1220 5.471,1221 0.099,1222 8.536,1223 0.507,1224 4.807,1225 0.107,1226 3.9,1227 4.751,1228 3.272,1229 16.742,1230 3.528,1231 1.977,1232 1.958,1233 2.041,1234 2.084,1235 1.268,1236 2.077,1237 1.837,1238 1.85,1239 1.965,1240 1.981,1241 1.2,1242 1.981,1243 1.738,1244 1.712,1245 1.756,1246 1.872,1247 1.159,1248 1.931,1249 1.538,1250 1.502,1251 1.653,1252 1.732,1253 0.895,1254 1.736,1255 1.463,1256 1.408,1257 1.635,1258 1.649,1259 0.825,1260 1.655,1261 1.291,1262 1.208,1263 1.579,1264 1.519,1265 0.74,1266 1.563,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.656,1272 1.429,1273 1.021,1274 0.967,1275 1.295,1276 1.202,1277 0.46,1278 1.23,1279 4.205,1280 1.946,1281 5.602,1282 4.111,1283 7.209,1284 6.196,1285 8.91,1286 8.225,1287 10.661,1289 3.405,1295 3.184,1297 5.575,1299 0.163,1300 2.188,1301 -0.888,1305 33.685,1306 88.547,1307 198.974,1308 258.46,1309 274.07,1310 276.07,1311 276.07,1312 55.285,1313 7.727,1314 88.18,1315 96.56,1316 26,1317 13.082,1318 4.248,1319 3.459,1320 39.105,1321 97,1322 86,1323 0.201,1324 205.048,1325 347.76,1326 492.076,1327 21477,1329 20.225,1330 0.697,1331 0.599,1332 20.475,1333 17.368,1334 13.889,1335 0.421,1336 0.357,1337 9.916,1338 12.598,1339 9.477,1340 7.755,1341 14.764,1342 11.782,1343 13.706,1344 0.269,1345 0.204,1346 15.079,1347 10.389,1348 11.363,1349 0.162,1350 0.113,1351 12.337,1352 7.878,1353 9.777,1354 0.106,1355 0.058,1356 10.517,1357 5.326,1358 7.048,1359 0.065,1360 0.025,1361 7.301,1362 2.648,1363 0.301,1364 95.891,1365 0.213,1366 26.55,1367 0.603,1368 168,1369 463.335,1370 219.866,1371 464.467,1372 640.94,1373 432,1374 208,1375 457.136,1376 268.544,1377 493.26,1378 729.38,1379 463,1380 4.705}
{0 CHEMBL2325703,1 1.677,2 8.107,3 2.898,4 8.397,5 107.195,6 7.703,7 0.516,8 4.058,9 4.166,10 3.799,11 3.62,12 5.068,13 3.572,14 4.643,15 4.808,16 4.132,17 4.034,18 5.808,19 3.981,20 4.895,21 5.072,22 4.184,23 4.202,24 6.012,25 4.127,26 5.014,27 5.231,28 4.108,29 4.21,30 6.15,31 4.112,32 4.962,33 5.218,34 4.129,35 4.142,36 5.928,37 4.047,38 4.822,39 5.019,40 4.193,41 4.161,42 5.906,43 4.088,44 4.929,45 5.087,46 4.267,47 4.344,48 5.956,49 4.222,50 5.25,51 5.475,52 4.194,53 4.395,54 6.262,55 4.23,56 0.077,57 0.807,58 13.396,59 5.322,60 15.608,61 6.382,62 0.382,63 1.323,64 25.685,65 9.054,66 61.106,67 11.065,68 0.472,69 1.637,70 35.011,71 11.263,72 57.108,73 14.004,74 0.625,75 1.746,76 35.623,77 11.657,78 95.896,79 15.717,80 0.479,81 1.678,82 35.398,83 11.013,84 51.837,85 15.965,86 0.522,87 1.57,88 28.247,89 9.418,90 45.692,91 12.629,92 0.269,93 1.757,94 34.174,95 13.633,96 34.341,97 16.384,98 0.519,99 2.03,100 52.158,101 18.198,102 90.761,103 22.94,104 28,105 47,106 0.278,107 0.606,108 0.762,109 0.799,110 0.805,111 0.805,112 3.376,113 1.079,114 -3.57,115 -3.55,116 -3.38,119 38.5,120 2,124 1,125 4,130 1,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 5,180 3,183 6,186 1,187 10,192 2,195 6,198 3,199 7,204 1,207 2,211 1,212 9,215 2,220 4,223 4,224 4,232 6,236 1,237 6,240 1,242 1,245 5,250 8,255 2,258 2,262 2,263 4,266 2,275 1126,276 18.327,277 18.327,278 18.327,279 18.327,280 18.327,281 16.261,282 16.443,283 10.487,284 19.02,285 15.307,286 15.307,287 15.307,288 15.307,289 15.307,290 12.034,291 22.792,292 4.964,293 16.445,294 4.024,295 2.05,296 1.113,297 0.89,298 0.851,299 0.851,300 4.065,304 1,305 1,306 490,307 3.937,310 57.805,311 245.39,314 107.787,318 1.051,319 34.393,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 227,332 5.041,333 5.436,334 8.295,335 4.66,336 3.766,337 4.712,338 3.272,339 15.266,340 3.352,341 4.583,342 3.337,343 6.707,344 4.126,345 3.15,346 4.512,347 0.86,348 10.897,349 3.078,350 4.214,351 3.136,352 6.25,353 3.798,354 2.867,355 3.864,356 0.8,357 9.31,358 2.654,359 3.751,360 3.056,361 5.978,362 3.413,363 2.481,364 3.095,366 7.991,367 2.309,368 3.691,369 2.506,370 5.717,371 3.235,372 2.285,373 2.962,375 7.489,376 2.146,377 3.088,378 2.264,379 4.752,380 2.758,381 1.833,382 2.323,384 5.052,385 1.69,386 3.047,387 1.916,388 4.406,389 2.545,390 1.549,391 2.238,393 4.089,394 1.542,395 2.823,396 1.548,397 4.275,398 2.416,399 1.496,400 1.9,402 3.722,403 1.368,404 2.586,405 1.465,406 3.99,407 2.178,408 1.224,409 1.589,411 3.438,412 1.161,413 2.5,414 1.303,415 3.492,416 1.97,417 1.033,418 1.5,420 2.584,421 0.968,422 2.196,423 1.256,424 3.404,425 1.952,426 1,427 1.168,428 2.231,429 0.946,430 2,431 1,432 3.247,433 1.916,434 1,435 1,436 2.136,437 0.907,438 1.956,439 0.653,440 3.161,441 1.435,442 0.471,443 0.696,445 1.217,446 0.453,447 1,448 0.471,449 3.127,450 0.558,451 -0.416,452 -0.542,454 -1.12,455 -0.402,456 1,457 -0.238,458 2.659,459 0.422,460 -0.507,461 -0.618,463 -1.307,464 -0.471,465 13.433,466 0.48,467 0.987,468 0.035,469 36.25,470 1.295,471 17.5,472 0.625,473 18.75,474 0.67,475 26.336,476 0.941,477 30.967,478 0.596,479 28.436,480 1.016,481 6.659,482 0.238,483 6.612,484 0.236,485 0.161,486 0.099,487 0.253,493 0.644,494 1.448,495 0.837,496 1.265,497 0.68,498 1.015,499 0.971,500 1.055,501 0.991,502 0.978,503 0.615,504 0.83,505 1.255,506 1.218,507 1.286,508 1.189,509 1.196,510 1.055,511 1.152,512 1.057,513 0.984,514 0.914,515 1.426,516 1.043,517 0.672,518 0.957,519 0.662,520 0.779,521 0.654,522 0.796,523 0.909,524 0.891,525 0.908,526 0.787,527 0.699,528 0.888,529 0.788,530 1.235,531 1.356,532 1.446,533 0.78,534 1.346,535 0.997,536 1.183,537 1.205,538 1.361,539 1.276,540 1.275,541 7,542 0.005,543 4.667,544 1.938,545 1.306,546 1.556,547 1.153,548 0.759,549 0.509,550 0.204,551 8392,552 23005,553 2.055,554 46.2,556 16,557 1,559 1,561 6,564 1.721,565 1.888,566 2.996,567 -0.288,568 1,569 1,573 87.19,574 1.677,575 3.65,576 4.587,577 4.811,578 4.849,579 4.849,580 2.262,581 4.209,582 4.782,583 3.173,584 1199.56,585 8.373,586 15499.3,588 1,590 1,591 296.423,592 1.716,593 4.708,594 0.226,595 0.002,596 0.099,597 0.04,598 0.03,599 0.035,600 0.024,601 0.015,602 0.012,603 0.01,604 0.492,605 0.33,606 1,607 0.959,608 136.266,609 0.059,610 -0.21,611 0.205,612 -0.076,613 -0.141,614 0.007,615 0.049,616 0.075,617 0.066,618 0.107,619 0.212,620 0.148,621 -0.175,622 -0.118,623 -0.202,624 -0.109,625 -0.075,626 -0.084,627 -0.121,628 -0.039,629 -0.125,630 -0.026,631 -0.147,632 -0.105,633 0.086,634 0.037,635 0.212,636 0.112,637 0.021,638 0.175,639 -0.006,640 0.257,641 -0.01,642 0.144,643 0.037,644 0.043,645 -0.047,646 -0.097,647 -0.262,648 -0.266,649 -0.025,650 -0.317,651 -0.047,652 -0.26,653 -0.142,654 -0.283,655 -0.078,656 -0.247,657 4.29,658 5.461,659 0.75,660 21.041,661 1.006,662 1.129,663 2.344,664 5.496,665 0.666,666 3.466,667 3.871,668 4.159,669 4.369,670 4.615,671 4.771,672 4.997,673 5.136,674 5.187,675 5.242,676 5.454,677 0.629,678 400.55,679 3.466,680 5.056,681 5.932,682 6.843,683 7.743,684 8.655,685 9.563,686 10.478,687 11.39,688 12.306,689 7.7,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 52,733 18,734 1,735 31,737 55,738 20,739 12,740 3,741 3,746 4,747 5,752 2,761 12,762 8,763 1,766 2,769 1,771 2,778 1,781 24,782 6,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,807 1,811 1,812 3,815 1,839 1,840 3,842 1,844 3,848 28,851 1,854 4,856 1,859 1,860 1,870 5.8,873 2,874 1,877 14.833,878 10.267,879 5.84,880 3.026,881 3.241,882 1.429,883 0.982,884 4.842,885 10.79,886 3.738,887 4.416,888 4.983,889 5.574,890 6.121,891 6.54,892 7.05,893 7.488,894 7.754,895 8.13,896 0.667,897 49,898 10.605,900 4.841,901 7.792,902 20.001,904 17.093,905 2.292,906 64.167,909 1,910 270.735,911 116.027,912 53.481,914 55.313,916 6.046,917 109.981,918 326.048,919 53.481,920 24.841,921 13.396,922 62.475,923 88.884,924 30.753,925 16.243,926 258.964,928 270.735,929 163.462,930 55.313,931 6.046,933 202.437,934 114.94,935 11,937 50.589,938 76.974,939 39.617,941 270.735,942 108.794,943 116.027,945 6.046,946 270.735,947 28.711,948 84.394,949 16.786,950 88.884,951 270.735,952 108.794,953 116.027,955 0.607,956 0.359,957 0.172,958 0.091,959 25,960 11,961 0.073,962 4,963 1,964 1.095,965 3.727,966 262.066,967 0.095,968 21,969 126.606,973 1,974 19.223,975 7.053,976 3.526,977 1.992,978 92.008,979 11.559,980 9.507,981 3.198,984 2.627,986 16.786,987 495.556,988 41,991 -3.373,993 24.922,999 52.302,1000 58.693,1001 0.294,1002 0.64,1003 0.805,1004 0.844,1005 0.851,1006 0.851,1007 5.024,1008 1.496,1009 6.004,1010 4.089,1011 4.554,1012 5.103,1013 3.213,1014 6.948,1015 4.419,1016 6.297,1017 1.224,1018 7.669,1019 3.722,1020 4.511,1021 5.286,1022 0.325,1023 8.416,1024 4.259,1025 7.682,1026 1.033,1027 9.468,1028 3.438,1029 6.354,1030 7.478,1031 5.446,1032 11.518,1033 6.06,1034 9.114,1035 1,1036 11.352,1037 2.584,1038 7.132,1039 8.461,1040 0.268,1041 13.817,1042 6.703,1043 10.585,1044 1,1045 13.294,1046 2.231,1047 8.562,1048 10.217,1049 7.807,1050 16.606,1051 8.073,1052 12.084,1053 0.471,1054 15.277,1055 2.136,1056 9.66,1057 11.518,1058 0.188,1059 19.184,1060 9.037,1061 13.604,1062 -0.416,1063 17.289,1064 1.217,1065 10.978,1066 13.126,1067 10.177,1068 21.913,1069 10.269,1070 3.766,1071 -0.507,1072 19.325,1073 -1.12,1074 12.201,1075 14.557,1076 0.125,1077 24.584,1078 11.362,1079 3.15,1080 15.266,1081 21.378,1082 -1.307,1083 13.497,1084 16.113,1085 12.548,1086 27.304,1087 12.553,1088 2.867,1089 10.897,1090 23.445,1091 4.712,1092 14.769,1093 17.6,1094 0.082,1095 30.009,1096 13.699,1097 2.481,1098 9.31,1099 25.523,1100 4.512,1101 16.068,1102 19.138,1103 14.919,1104 32.73,1105 14.882,1106 2.285,1107 7.991,1108 27.609,1109 3.864,1110 17.363,1111 20.649,1112 0.054,1113 35.447,1114 16.051,1115 1.833,1116 7.489,1117 29.702,1118 3.095,1119 18.669,1120 22.182,1121 17.29,1122 38.17,1123 17.235,1124 1.549,1125 5.052,1126 31.799,1127 2.962,1128 19.975,1129 23.705,1130 0.035,1131 40.892,1132 18.416,1133 8089,1134 13514,1135 20.167,1136 34.648,1137 48.566,1138 50.114,1139 48.702,1140 48.398,1141 48.311,1142 63.118,1143 9.865,1144 150.845,1145 45.149,1146 6.041,1147 7.436,1148 8.097,1149 5.763,1150 5.766,1151 7.712,1152 6.545,1153 24.084,1154 5.352,1155 14.557,1156 1.567,1157 1.617,1158 1.571,1159 1.561,1160 1.558,1161 2.036,1162 0.318,1163 4.866,1164 1.456,1165 4.152,1166 4.179,1167 4.736,1168 4.097,1169 7.714,1170 4.068,1171 4.043,1172 4.033,1173 4.093,1174 4.017,1175 6.999,1176 3.937,1177 3.829,1178 3.862,1179 3.817,1180 3.657,1181 5.047,1182 3.655,1183 3.619,1184 3.658,1185 3.548,1186 3.431,1187 4.863,1188 3.436,1189 3.386,1190 3.44,1191 3.288,1192 3.265,1193 4.605,1194 3.258,1195 3.275,1196 3.347,1197 3.136,1198 3.106,1199 4.283,1200 3.075,1201 3.111,1202 3.206,1203 2.904,1204 2.941,1205 4.149,1206 2.91,1207 2.99,1208 3.039,1209 2.866,1210 2.874,1211 3.928,1212 2.873,1213 0.163,1214 0.175,1215 0.268,1216 0.15,1217 0.121,1218 5.041,1219 0.152,1220 5.436,1221 0.106,1222 8.295,1223 0.492,1224 4.66,1225 0.108,1226 3.766,1227 4.712,1228 3.272,1229 15.266,1230 3.352,1231 1.995,1232 1.985,1233 2.048,1234 2.099,1235 1.329,1236 2.108,1237 1.898,1238 1.902,1239 1.953,1240 1.98,1241 1.201,1242 2.008,1243 1.727,1244 1.684,1245 1.889,1246 1.935,1247 1.167,1248 1.947,1249 1.525,1250 1.484,1251 1.666,1252 1.735,1253 0.825,1254 1.731,1255 1.459,1256 1.408,1257 1.588,1258 1.646,1259 0.761,1260 1.657,1261 1.264,1262 1.193,1263 1.547,1264 1.495,1265 0.671,1266 1.54,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.621,1272 1.429,1273 1.019,1274 0.965,1275 1.417,1276 1.239,1277 0.469,1278 1.308,1279 4.143,1281 5.525,1282 2.398,1283 7.107,1284 4.595,1285 8.776,1286 6.605,1287 10.488,1289 4.624,1295 2.669,1297 5.45,1300 2.119,1301 -1.127,1305 32.685,1306 87.19,1307 189.817,1308 238.549,1309 250.158,1310 252.158,1311 252.158,1312 55.772,1313 7.549,1314 88.18,1315 96.56,1316 23,1317 12.818,1318 4.248,1319 3.459,1320 41.899,1321 92,1322 88,1323 0.227,1324 202.849,1325 342.82,1326 486.711,1327 17517,1329 19.941,1330 0.712,1331 0.61,1332 20.191,1333 17.084,1334 13.271,1335 0.428,1336 0.36,1337 9.279,1338 11.927,1339 8.782,1340 7.246,1341 14.146,1342 11.147,1343 13.244,1344 0.282,1345 0.215,1346 14.691,1347 10.126,1348 11.036,1349 0.175,1350 0.119,1351 12.104,1352 7.49,1353 8.353,1354 0.107,1355 0.048,1356 8.718,1357 3.773,1358 6.798,1359 0.068,1360 0.025,1361 7.05,1362 2.476,1363 0.34,1364 92.221,1365 0.223,1366 25.841,1367 0.678,1368 156,1369 451.335,1370 207.533,1371 452.998,1372 618.64,1373 420,1374 188,1375 434.784,1376 244.705,1377 472.365,1378 689.92,1379 441,1380 5.796}
{0 CHEMBL2325704,1 1.698,2 8.107,3 2.661,4 7.081,5 105.239,6 7.971,7 0.5,8 4.043,9 4.143,10 3.817,11 3.626,12 5.036,13 3.585,14 4.617,15 4.772,16 4.118,17 4.019,18 5.786,19 3.967,20 4.849,21 5.033,22 4.167,23 4.144,24 5.924,25 4.086,26 4.879,27 5.076,28 4.091,29 4.149,30 6.017,31 4.065,32 4.883,33 5.125,34 4.123,35 4.098,36 5.869,37 4.018,38 4.771,39 4.96,40 4.184,41 4.134,42 5.85,43 4.066,44 4.873,45 5.026,46 4.257,47 4.303,48 5.884,49 4.191,50 5.149,51 5.356,52 4.18,53 4.327,54 6.176,55 4.18,56 0.084,57 0.792,58 12.313,59 5.146,60 15.043,61 5.94,62 0.386,63 1.298,64 23.961,65 8.778,66 59.05,67 10.321,68 0.506,69 1.553,70 31.829,71 10.368,72 54.872,73 12.708,74 0.511,75 1.606,76 29.105,77 10.329,78 73.94,79 13.407,80 0.473,81 1.604,82 31.8,83 10.158,84 48.217,85 14.252,86 0.5,87 1.502,88 25.767,89 9.131,90 43.612,91 11.768,92 0.289,93 1.671,94 31.4,95 12.733,96 32.884,97 14.808,98 0.518,99 1.887,100 46.605,101 16.635,102 83.938,103 20.114,104 11,105 49,106 0.283,107 0.622,108 0.773,109 0.811,110 0.818,111 0.818,112 3.376,113 1.064,114 -3.57,115 -3.55,116 -3.38,119 40,121 2,124 1,125 4,130 1,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 6,174 3,175 5,180 3,183 5,186 1,187 10,192 2,195 6,198 3,199 7,204 1,207 2,211 1,212 9,215 2,220 4,223 4,224 4,232 6,236 1,237 6,240 1,242 1,245 5,250 8,255 2,258 2,262 2,263 4,266 2,275 1124,276 18.88,277 18.88,278 18.88,279 18.88,280 18.88,281 16.813,282 16.443,283 10.769,284 19.55,285 15.799,286 15.799,287 15.799,288 15.799,289 15.799,290 12.54,291 22.792,292 5.068,293 16.923,294 3.946,295 1.914,296 1.007,297 0.775,298 0.735,299 0.735,300 4.073,304 1,305 1,306 506,307 3.536,308 47.298,310 57.456,311 242.582,314 107.055,318 1.051,319 34.937,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 227,332 5.126,333 5.471,334 8.536,335 4.807,336 3.9,337 4.751,338 3.272,339 16.742,340 3.528,341 4.583,342 3.418,343 6.707,344 4.128,345 3.151,346 4.512,347 0.86,348 10.898,349 3.082,350 4.216,351 3.165,352 6.266,353 3.798,354 2.867,355 3.867,356 0.8,357 9.311,358 2.659,359 3.815,360 3.059,361 6.052,362 3.424,363 2.497,364 3.122,366 8.143,367 2.31,368 3.729,369 2.517,370 5.732,371 3.305,372 2.359,373 3.033,375 7.639,376 2.199,377 3.18,378 2.264,379 5.033,380 2.851,381 1.904,382 2.343,384 5.54,385 1.799,386 3.048,387 1.943,388 4.59,389 2.545,390 1.609,391 2.318,393 4.265,394 1.542,395 2.828,396 1.548,397 4.36,398 2.521,399 1.548,400 1.913,402 4.087,403 1.459,404 2.794,405 1.466,406 3.995,407 2.315,408 1.362,409 1.872,411 3.489,412 1.294,413 2.5,414 1.303,415 3.499,416 1.971,417 1.053,418 1.5,420 2.598,421 0.968,422 2.2,423 1.256,424 3.454,425 1.952,426 1,427 1.175,428 2.231,429 0.946,430 2,431 1.216,432 3.404,433 1.935,434 1,435 1,436 2.136,437 0.923,438 1.956,439 1,440 3.247,441 1.436,442 0.472,443 0.696,445 1.219,446 0.454,447 1.114,448 0.473,449 3.159,450 0.905,451 -0.052,452 -0.057,454 -0.136,455 -0.049,456 1,457 0.082,458 3.079,459 0.554,460 -0.417,461 -0.542,463 -1.122,464 -0.402,465 13.433,466 0.48,467 0.866,468 0.031,469 36.75,470 1.313,471 17.5,472 0.625,473 19.25,474 0.688,475 24.563,476 0.877,477 30.367,478 0.607,479 27.596,480 0.986,481 6.659,482 0.238,483 6.819,484 0.244,485 0.087,486 0.099,487 0.253,493 0.635,494 1.385,495 0.804,496 1.211,497 0.639,498 0.958,499 0.982,500 1.102,501 1.048,502 1.039,503 0.615,504 0.905,505 1.261,506 1.091,507 1.096,508 0.992,509 1.27,510 0.912,511 1.023,512 1.135,513 0.987,514 0.98,515 1.186,516 1.095,517 0.712,518 0.974,519 0.683,520 0.788,521 0.699,522 0.806,523 0.85,524 0.881,525 0.87,526 0.78,527 0.684,528 0.866,529 0.808,530 1.183,531 1.36,532 1.41,533 0.779,534 1.3,535 1.08,536 1.198,537 1.27,538 1.402,539 1.373,540 1.303,541 6.5,542 0.005,543 3.778,544 2.549,545 1.056,546 1.316,547 1.019,548 0.632,549 0.384,550 0.204,551 8990,552 23969,553 2.159,554 44,556 16,557 1,559 1,561 4,564 1.721,565 2.024,566 2.998,567 -0.288,568 1,569 1,573 84.892,574 1.698,575 3.729,576 4.637,577 4.869,578 4.909,579 4.909,580 2.262,581 4.352,582 4.782,583 3.175,584 1200.12,585 8.372,586 15489,588 1,590 1,591 282.193,592 1.579,593 4.73,594 0.203,595 0.002,596 0.082,597 0.052,598 0.024,599 0.029,600 0.021,601 0.013,602 0.009,603 0.01,604 0.445,605 0.33,606 0.88,607 0.689,608 136.252,609 0.052,610 -0.182,611 0.205,612 -0.06,613 -0.113,614 0.025,615 0.026,616 0.014,617 -0.011,618 0.027,619 0.204,620 0.049,621 -0.168,622 -0.037,623 -0.095,624 0.009,625 -0.135,626 0.034,627 -0.089,628 -0.088,629 -0.15,630 -0.085,631 -0.084,632 -0.161,633 0.067,634 0.037,635 0.193,636 0.102,637 -0.005,638 0.16,639 0.023,640 0.239,641 0.018,642 0.15,643 0.051,644 0.061,645 -0.053,646 -0.068,647 -0.261,648 -0.247,649 -0.009,650 -0.295,651 -0.076,652 -0.272,653 -0.18,654 -0.31,655 -0.1,656 -0.278,657 4.179,658 5.523,659 0.857,660 20.98,661 1.008,662 1.126,663 2.344,664 5.496,665 0.678,666 3.497,667 3.912,668 4.22,669 4.489,670 4.654,671 4.836,672 5.075,673 5.236,674 5.293,675 5.352,676 5.453,677 0.643,678 398.53,679 3.497,680 5.094,681 5.994,682 6.925,683 7.847,684 8.784,685 9.716,686 10.658,687 11.595,688 12.541,689 8,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 50,733 18,734 1,735 32,737 54,738 20,739 12,740 3,741 3,746 5,747 6,755 2,756 1,758 2,761 12,762 8,763 1,766 2,769 1,771 2,778 1,781 22,782 6,783 1,784 8,785 1,790 4,794 0.8,795 3,806 1,807 1,809 1,811 1,812 3,815 1,839 1,840 4,842 1,844 1,848 28,851 1,854 6,856 1,859 1,860 1,870 6,873 2,874 1,877 13.833,878 9.267,879 5.84,880 3.026,881 3.222,882 1.422,883 1.02,884 4.146,885 10.866,886 3.761,887 4.44,888 5.01,889 5.633,890 6.141,891 6.572,892 7.086,893 7.537,894 7.804,895 8.184,896 0.667,897 49,898 10.618,900 4.97,901 7.756,902 20.22,904 17.956,905 2.256,906 63.167,909 1,910 247.193,911 103.445,912 53.481,914 55.313,916 6.046,917 97.4,918 302.506,919 53.481,920 7.19,921 18.465,922 62.475,923 88.884,924 30.753,925 16.243,926 235.422,928 247.193,929 150.88,930 55.313,931 6.046,933 202.437,934 91.397,935 11,937 38.008,938 76.974,939 39.617,941 247.193,942 108.794,943 103.445,945 6.046,946 247.193,947 33.781,948 66.743,949 16.786,950 88.884,951 247.193,952 108.794,953 103.445,955 0.604,956 0.353,957 0.187,958 0.089,959 28,960 11,961 0.074,962 4,963 1,964 1.083,965 3.85,966 270.299,967 0.083,968 24,969 126.606,973 1,974 17.958,975 6.464,976 3.104,977 2.028,978 92.008,979 11.698,980 9.598,981 3.211,984 2.846,986 16.786,987 459.432,988 42,991 -3.262,993 25.047,999 50.418,1000 56.278,1001 0.301,1002 0.661,1003 0.822,1004 0.863,1005 0.87,1006 0.87,1007 5.056,1008 1.548,1009 6.057,1010 4.265,1011 4.595,1012 5.127,1013 3.213,1014 7.031,1015 4.466,1016 6.332,1017 1.362,1018 7.733,1019 4.087,1020 4.575,1021 5.316,1022 0.325,1023 8.618,1024 4.341,1025 7.726,1026 1.053,1027 9.546,1028 3.489,1029 6.435,1030 7.504,1031 5.446,1032 11.758,1033 6.156,1034 9.167,1035 1,1036 11.449,1037 2.598,1038 7.245,1039 8.492,1040 0.268,1041 14.207,1042 6.847,1043 10.648,1044 1,1045 13.414,1046 2.231,1047 8.698,1048 10.247,1049 7.807,1050 17.068,1051 8.239,1052 12.158,1053 0.472,1054 15.424,1055 2.136,1056 9.837,1057 11.554,1058 0.188,1059 19.78,1060 9.259,1061 13.69,1062 -0.052,1063 17.467,1064 1.219,1065 11.186,1066 13.164,1067 10.177,1068 22.598,1069 10.525,1070 3.9,1071 -0.417,1072 19.535,1073 -0.136,1074 12.452,1075 14.602,1076 0.125,1077 25.384,1078 11.675,1079 3.151,1080 16.742,1081 21.621,1082 -1.122,1083 13.784,1084 16.162,1085 12.548,1086 28.199,1087 12.911,1088 2.867,1089 10.898,1090 23.722,1091 4.751,1092 15.099,1093 17.655,1094 0.082,1095 31.007,1096 14.114,1097 2.497,1098 9.311,1099 25.833,1100 4.512,1101 16.437,1102 19.198,1103 14.919,1104 33.822,1105 15.347,1106 2.359,1107 8.143,1108 27.953,1109 3.867,1110 17.773,1111 20.717,1112 0.054,1113 36.637,1114 16.573,1115 1.904,1116 7.639,1117 30.078,1118 3.122,1119 19.118,1120 22.256,1121 17.29,1122 39.454,1123 17.81,1124 1.609,1125 5.54,1126 32.208,1127 3.033,1128 20.464,1129 23.786,1130 0.035,1131 42.27,1132 19.048,1133 8369,1134 13794,1135 21.553,1136 33.887,1137 49.824,1138 51.886,1139 50.352,1140 49.516,1141 49.443,1142 64.206,1143 9.865,1144 156.593,1145 46.326,1146 6.126,1147 7.471,1148 8.338,1149 5.91,1150 5.9,1151 7.751,1152 6.545,1153 25.64,1154 5.528,1155 11.451,1156 1.557,1157 1.621,1158 1.574,1159 1.547,1160 1.545,1161 2.006,1162 0.308,1163 4.894,1164 1.448,1165 4.183,1166 4.197,1167 4.755,1168 4.161,1169 7.714,1170 4.094,1171 4.091,1172 4.098,1173 4.094,1174 4.031,1175 6.999,1176 4.007,1177 3.833,1178 3.878,1179 3.828,1180 3.657,1181 5.048,1182 3.66,1183 3.623,1184 3.658,1185 3.581,1186 3.453,1187 4.865,1188 3.44,1189 3.47,1190 3.504,1191 3.416,1192 3.334,1193 4.605,1194 3.303,1195 3.366,1196 3.422,1197 3.257,1198 3.241,1199 4.286,1200 3.234,1201 3.111,1202 3.206,1203 2.908,1204 2.941,1205 4.189,1206 2.91,1207 2.992,1208 3.04,1209 2.866,1210 2.882,1211 3.932,1212 2.881,1213 0.16,1214 0.171,1215 0.267,1216 0.15,1217 0.122,1218 5.126,1219 0.148,1220 5.471,1221 0.102,1222 8.536,1223 0.523,1224 4.807,1225 0.11,1226 3.9,1227 4.751,1228 3.272,1229 16.742,1230 3.528,1231 1.976,1232 1.958,1233 2.039,1234 2.081,1235 1.245,1236 2.073,1237 1.832,1238 1.849,1239 1.934,1240 1.967,1241 1.178,1242 1.97,1243 1.708,1244 1.68,1245 1.743,1246 1.864,1247 1.159,1248 1.92,1249 1.524,1250 1.482,1251 1.653,1252 1.73,1253 0.825,1254 1.731,1255 1.458,1256 1.406,1257 1.58,1258 1.646,1259 0.825,1260 1.651,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.74,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.656,1272 1.429,1273 1.021,1274 0.967,1275 1.224,1276 1.188,1277 0.437,1278 1.209,1279 4.174,1280 1.946,1281 5.565,1282 4.111,1283 7.166,1284 6.196,1285 8.863,1286 8.225,1287 10.612,1289 1.309,1295 3.962,1297 5.462,1300 2.147,1301 -0.877,1305 32.158,1306 84.892,1307 186.47,1308 231.828,1309 243.438,1310 245.438,1311 245.438,1312 51.074,1313 7.643,1314 88.18,1315 96.56,1316 26,1317 13.035,1318 4.248,1319 3.459,1320 37.206,1321 92,1322 88,1323 0.201,1324 195.455,1325 330.46,1326 468.671,1327 19386,1329 19.355,1330 0.691,1331 0.589,1332 19.605,1333 16.498,1334 13.478,1335 0.421,1336 0.355,1337 9.486,1338 12.181,1339 9.11,1340 7.416,1341 14.353,1342 11.354,1343 13.178,1344 0.269,1345 0.201,1346 14.552,1347 9.871,1348 10.896,1349 0.163,1350 0.113,1351 11.87,1352 7.551,1353 9.373,1354 0.107,1355 0.058,1356 10.113,1357 5.066,1358 6.856,1359 0.066,1360 0.024,1361 7.109,1362 2.535,1363 0.301,1364 93.464,1365 0.215,1366 25.844,1367 0.6,1368 162,1369 457.335,1370 213.533,1371 457.788,1372 630.36,1373 426,1374 200,1375 446.784,1376 260.045,1377 482.237,1378 712.78,1379 453,1380 6.027}
{0 CHEMBL2325705,1 1.687,2 8.258,3 2.013,4 4.051,5 116.504,6 7.765,7 0.457,8 4.165,9 4.266,10 3.902,11 3.713,12 5.151,13 3.677,14 4.774,15 4.928,16 4.233,17 4.144,18 5.904,19 4.097,20 5.043,21 5.229,22 4.34,23 4.34,24 6.054,25 4.26,26 5.126,27 5.32,28 4.361,29 4.381,30 6.24,31 4.293,32 5.195,33 5.429,34 4.333,35 4.323,36 6.294,37 4.244,38 5.037,39 5.252,40 4.333,41 4.302,42 6.046,43 4.23,44 5.048,45 5.203,46 4.433,47 4.459,48 6.062,49 4.363,50 5.357,51 5.553,52 4.417,53 4.579,54 6.349,55 4.444,56 0.094,57 0.88,58 14.341,59 5.893,60 15.503,61 6.954,62 0.494,63 1.467,64 28.493,65 10.184,66 65.561,67 12.169,68 0.628,69 1.851,70 39.628,71 13.132,72 61.868,73 16.284,74 0.618,75 2.014,76 42.657,77 14.203,78 85.211,79 18.079,80 0.994,81 2.018,82 44.287,83 13.323,84 107.873,85 18.66,86 0.679,87 1.844,88 36.13,89 11.895,90 55.489,91 16.008,92 0.479,93 1.988,94 37.396,95 14.353,96 38.947,97 17.305,98 0.557,99 2.339,100 54.341,101 20.275,102 85.272,103 25.253,104 11,105 52,106 0.274,107 0.59,108 0.748,109 0.809,110 0.815,111 0.815,112 3.473,113 1.066,114 -3.27,115 -3.26,116 -3.12,119 38.6,121 2,124 1,125 6,130 1,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 7,180 3,183 6,186 1,187 10,192 2,195 6,198 3,199 7,204 1,207 2,211 4,212 10,215 2,220 4,223 4,224 4,232 6,236 3,237 7,240 1,242 1,245 5,250 10,255 2,258 2,262 2,263 6,266 2,275 1460,276 21.001,277 21.001,278 21.001,279 21.001,280 21.001,281 18.934,282 20.756,283 12.232,284 21.824,285 17.299,286 17.299,287 17.299,288 17.299,289 17.299,290 14.04,291 27.412,292 5.752,293 18.63,294 4.146,295 2.208,296 1.234,297 0.855,298 0.82,299 0.82,300 4.18,304 1,305 1,306 564,307 3.536,310 64.378,311 365.307,314 119.682,318 1.041,319 41.52,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68,331 256,332 5.085,333 5.454,334 8.502,335 4.737,336 3.836,337 4.732,338 3.272,339 16.596,340 3.444,341 4.583,342 3.383,343 6.707,344 4.127,345 3.151,346 4.512,347 0.86,348 10.898,349 3.081,350 4.215,351 3.157,352 6.262,353 3.798,354 2.867,355 3.866,356 0.86,357 9.311,358 2.657,359 3.78,360 3.058,361 6.037,362 3.419,363 2.49,364 3.105,365 0.8,366 8.098,367 2.309,368 3.722,369 2.52,370 5.729,371 3.283,372 2.338,373 3.005,375 7.608,376 2.18,377 3.162,378 2.312,379 4.962,380 2.854,381 1.917,382 2.327,384 5.407,385 1.789,386 3.048,387 2.263,388 4.571,389 2.589,390 1.697,391 2.304,393 4.233,394 1.542,395 2.845,396 1.915,397 4.358,398 2.545,399 1.548,400 1.925,402 4.087,403 1.508,404 2.818,405 1.548,406 3.995,407 2.368,408 1.448,409 1.888,411 3.494,412 1.329,413 2.5,414 1.465,415 3.732,416 2.093,417 1.183,418 1.5,420 2.91,421 1.062,422 2.375,423 1.303,424 3.677,425 1.97,426 1.032,427 1.352,428 2.58,429 0.968,430 2.194,431 1.256,432 3.492,433 1.969,434 1,435 1.165,436 2.231,437 0.963,438 2,439 1.2,440 3.404,441 1.952,442 1,443 1,445 2.23,446 0.946,447 2,448 1,449 3.247,450 1.912,451 1,452 1,454 2.136,455 0.903,456 1.956,457 0.834,458 3.183,459 1.435,460 0.471,461 0.696,463 1.217,464 0.453,465 14.767,466 0.476,467 0.866,468 0.028,469 38.75,470 1.25,471 17.5,472 0.565,473 21.25,474 0.685,475 30.351,476 0.979,477 34.433,478 0.604,479 31.383,480 1.012,481 7.168,482 0.231,483 7.81,484 0.252,485 0.079,486 0.09,487 0.23,493 0.687,494 1.441,495 0.815,496 1.267,497 0.656,498 1.008,499 1.108,500 1.072,501 1.049,502 1.005,503 0.668,504 0.894,505 1.181,506 1.08,507 1.141,508 1.021,509 1.188,510 0.955,511 0.946,512 1.24,513 1.155,514 1.208,515 1.284,516 1.123,517 0.92,518 0.935,519 0.789,520 0.796,521 1.231,522 0.868,523 0.879,524 0.9,525 0.808,526 0.745,527 0.648,528 0.812,529 0.799,530 1.114,531 1.304,532 1.298,533 0.77,534 1.221,535 0.917,536 1.252,537 1.209,538 1.421,539 1.229,540 1.34,541 6.5,542 0.009,543 4.667,544 2.563,545 1.426,546 1.757,547 1.112,548 0.641,549 0.463,550 0.263,551 11326,552 30463,553 2.143,554 45.6,556 20,557 1,559 1,562 4,564 1.749,565 2.022,566 3.007,567 -0.297,569 1,573 96.156,574 1.687,575 3.625,576 4.598,577 4.978,578 5.013,579 5.013,580 2.22,581 4.414,582 4.929,583 3.211,584 1493.05,585 8.678,586 20591.9,588 1,590 1,591 332.475,592 1.499,593 4.882,594 0.186,595 0.001,596 0.09,597 0.046,598 0.025,599 0.033,600 0.02,601 0.011,602 0.008,603 0.008,604 0.427,605 0.33,606 0.88,607 0.646,608 155.414,609 0.037,610 -0.205,611 0.198,612 -0.081,613 -0.106,614 0.011,615 -0.046,616 0.052,617 -0.016,618 0.072,619 0.163,620 0.076,621 -0.167,622 -0.007,623 -0.081,624 0.048,625 -0.121,626 0.025,627 -0.048,628 -0.16,629 -0.131,630 -0.167,631 -0.062,632 -0.144,633 0.088,634 0.055,635 0.097,636 0.079,637 -0.031,638 0.076,639 0.003,640 0.176,641 0.095,642 0.181,643 0.051,644 0.14,645 -0.032,646 0.068,647 -0.235,648 -0.151,649 -0.015,650 -0.219,651 -0.054,652 -0.278,653 -0.191,654 -0.33,655 -0.081,656 -0.305,657 4.355,658 6.061,659 0.871,660 24.604,661 1.009,662 1.128,663 2.038,664 4.153,665 0.664,666 3.584,667 3.97,668 4.304,669 4.595,670 4.828,671 4.97,672 5.204,673 5.357,674 5.468,675 5.565,676 5.665,677 0.63,678 442.59,679 3.584,680 5.165,681 6.052,682 6.971,683 7.88,684 8.805,685 9.723,686 10.651,687 11.574,688 12.504,689 7,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 57,733 18,734 1,735 35,737 61,738 22,739 12,740 3,741 3,746 5,747 6,755 2,756 1,758 2,761 12,762 10,763 1,766 2,769 1,771 2,778 1,781 26,782 7,783 1,784 9,785 1,790 4,794 0.8,795 4,806 1,807 1,811 1,812 4,815 1,839 2,840 4,842 1,844 1,848 31,851 1,854 8,856 2,859 1,860 1,870 7,873 2,874 2,877 15.333,878 10.433,879 6.59,880 3.443,881 3.174,882 1.402,883 0.997,884 5.409,885 11.065,886 3.829,887 4.474,888 5.049,889 5.668,890 6.195,891 6.611,892 7.125,893 7.576,894 7.866,895 8.252,896 0.667,897 56,898 11.795,900 5.459,901 7.747,902 22.387,904 19.495,905 2.247,906 69.667,910 294.278,911 112.63,912 53.481,914 66.313,916 6.046,917 106.584,918 360.59,919 53.481,920 7.19,921 27.65,922 62.475,923 99.884,924 30.753,925 16.243,926 282.506,928 294.278,929 160.065,930 66.313,931 6.046,933 249.521,934 91.397,935 22,937 47.192,938 76.974,939 39.617,941 294.278,942 119.794,943 112.63,945 6.046,946 294.278,947 42.965,948 66.743,949 16.786,950 99.884,951 294.278,952 119.794,953 112.63,955 0.594,956 0.359,957 0.199,958 0.103,959 28,960 11,961 0.066,962 4,963 1,964 1.074,965 3.995,966 312.562,967 0.074,968 27,969 143.58,973 1,974 20.743,975 8.084,976 3.71,977 1.997,978 103.008,979 11.683,980 9.757,981 3.222,984 2.715,986 16.786,987 526.701,988 45,991 -3.438,993 26.121,999 57.512,1000 64.318,1001 0.289,1002 0.622,1003 0.788,1004 0.853,1005 0.859,1006 0.859,1007 5.112,1008 1.548,1009 6.098,1010 4.233,1011 4.654,1012 5.162,1013 3.271,1014 7.052,1015 4.516,1016 6.358,1017 1.448,1018 7.757,1019 4.087,1020 4.511,1021 5.286,1022 0.325,1023 8.583,1024 4.259,1025 7.734,1026 1.183,1027 9.554,1028 3.494,1029 6.438,1030 7.506,1031 5.451,1032 11.738,1033 6.148,1034 9.159,1035 1.032,1036 11.445,1037 2.91,1038 7.179,1039 8.474,1040 0.268,1041 14.167,1042 6.76,1043 10.628,1044 1,1045 13.402,1046 2.58,1047 8.65,1048 10.236,1049 7.807,1050 17.023,1051 8.174,1052 12.129,1053 1,1054 15.405,1055 2.231,1056 9.749,1057 11.535,1058 0.188,1059 19.723,1060 9.145,1061 13.652,1062 1,1063 17.442,1064 2.23,1065 11.093,1066 13.146,1067 10.177,1068 22.532,1069 10.406,1070 3.836,1071 0.471,1072 19.505,1073 2.136,1074 12.331,1075 14.58,1076 0.125,1077 25.308,1078 11.52,1079 3.151,1080 16.596,1081 21.587,1082 1.217,1083 13.649,1084 16.137,1085 12.548,1086 28.113,1087 12.738,1088 2.867,1089 10.898,1090 23.683,1091 4.732,1092 14.942,1093 17.627,1094 0.082,1095 30.912,1096 13.911,1097 2.49,1098 9.311,1099 25.789,1100 4.512,1101 16.262,1102 19.168,1103 14.919,1104 33.719,1105 15.12,1106 2.338,1107 8.098,1108 27.904,1109 3.866,1110 17.578,1111 20.683,1112 0.054,1113 36.524,1114 16.318,1115 1.917,1116 7.608,1117 30.025,1118 3.105,1119 18.905,1120 22.219,1121 17.29,1122 39.332,1123 17.53,1124 1.697,1125 5.407,1126 32.151,1127 3.005,1128 20.233,1129 23.745,1130 0.035,1131 42.14,1132 18.74,1133 10595,1134 17505,1135 23.633,1136 37.864,1137 53.994,1138 56.025,1139 55.004,1140 54.074,1141 53.958,1142 68.754,1143 11.585,1144 166.071,1145 50.268,1146 6.085,1147 7.454,1148 8.304,1149 5.841,1150 5.836,1151 7.732,1152 6.545,1153 25.467,1154 5.444,1155 12.012,1156 1.543,1157 1.601,1158 1.572,1159 1.545,1160 1.542,1161 1.964,1162 0.331,1163 4.745,1164 1.436,1165 4.16,1166 4.184,1167 4.739,1168 4.112,1169 7.714,1170 4.074,1171 4.062,1172 4.057,1173 4.094,1174 4.022,1175 6.999,1176 3.962,1177 3.831,1178 3.871,1179 3.823,1180 3.657,1181 5.048,1182 3.657,1183 3.625,1184 3.658,1185 3.579,1186 3.451,1187 4.863,1188 3.439,1189 3.568,1190 3.592,1191 3.478,1192 3.371,1193 4.607,1194 3.363,1195 3.375,1196 3.43,1197 3.269,1198 3.252,1199 4.588,1200 3.249,1201 3.111,1202 3.206,1203 2.915,1204 2.941,1205 4.279,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.993,1212 2.91,1213 0.145,1214 0.156,1215 0.243,1216 0.135,1217 0.11,1218 5.085,1219 0.135,1220 5.454,1221 0.093,1222 8.502,1223 0.474,1224 4.737,1225 0.098,1226 3.836,1227 4.732,1228 3.272,1229 16.596,1230 3.444,1231 2.008,1232 2.004,1233 2.055,1234 2.114,1235 1.464,1236 2.127,1237 1.921,1238 1.915,1239 1.986,1240 2.004,1241 1.209,1242 2.022,1243 1.734,1244 1.687,1245 1.918,1246 1.954,1247 1.168,1248 1.951,1249 1.525,1250 1.49,1251 1.677,1252 1.744,1253 0.884,1254 1.733,1255 1.478,1256 1.449,1257 1.623,1258 1.681,1259 0.825,1260 1.726,1261 1.45,1262 1.397,1263 1.577,1264 1.645,1265 0.825,1266 1.644,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.723,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.652,1278 1.429,1279 4.263,1281 5.631,1282 2.398,1283 7.216,1284 4.595,1285 8.899,1286 6.605,1287 10.635,1289 1.307,1295 4.219,1297 11.014,1300 2.144,1301 -1.073,1305 35.927,1306 96.156,1307 206.645,1308 262.11,1309 283.72,1310 285.72,1311 285.72,1312 61.556,1313 7.891,1314 97.41,1315 105.79,1316 29,1317 13.007,1318 4.248,1319 3.459,1320 43.027,1321 106,1322 102,1323 0.201,1324 218.636,1325 373.85,1326 525.233,1327 26175,1329 21.476,1330 0.693,1331 0.591,1332 21.726,1333 18.32,1334 14.978,1335 0.428,1336 0.355,1337 10.524,1338 13.533,1339 10.141,1340 8.246,1341 15.853,1342 12.431,1343 14.239,1344 0.274,1345 0.202,1346 15.613,1347 10.484,1348 12.103,1349 0.166,1350 0.115,1351 13.077,1352 8.398,1353 10.556,1354 0.108,1355 0.061,1356 11.384,1357 5.934,1358 8.475,1359 0.068,1360 0.029,1361 9.055,1362 3.649,1363 0.3,1364 103.464,1365 0.206,1366 28.039,1367 0.604,1368 174,1369 513.071,1370 228.411,1371 503.259,1372 687,1373 470,1374 212,1375 478.42,1376 274.703,1377 512.339,1378 756.42,1379 481,1380 5.854}
{0 CHEMBL2325706,1 1.671,2 8.258,3 1.746,4 3.05,5 118.185,6 7.614,7 0.457,8 4.177,9 4.29,10 3.897,11 3.727,12 5.148,13 3.684,14 4.782,15 4.949,16 4.23,17 4.165,18 5.893,19 4.108,20 5.073,21 5.275,22 4.34,23 4.362,24 6.058,25 4.272,26 5.151,27 5.355,28 4.354,29 4.398,30 6.245,31 4.301,32 5.2,33 5.441,34 4.325,35 4.344,36 6.26,37 4.255,38 5.066,39 5.29,40 4.335,41 4.328,42 6.078,43 4.248,44 5.079,45 5.249,46 4.429,47 4.479,48 6.063,49 4.375,50 5.368,51 5.571,52 4.413,53 4.595,54 6.349,55 4.454,56 0.086,57 0.924,58 15.019,59 5.805,60 15.037,61 7.163,62 0.411,63 1.535,64 28.876,65 10.07,66 62.033,67 12.688,68 0.544,69 1.925,70 41.211,71 13.374,72 57.678,73 17.305,74 0.566,75 2.063,76 44.116,77 14.366,78 84.178,79 18.91,80 0.806,81 2.067,82 45.38,83 13.455,84 93.588,85 19.096,86 0.637,87 1.924,88 37.499,89 11.892,90 60.412,91 16.607,92 0.403,93 2.069,94 39.554,95 14.816,96 38.11,97 18.36,98 0.491,99 2.4,100 55.335,101 20.133,102 82.17,103 25.649,104 11,105 52,106 0.271,107 0.598,108 0.758,109 0.813,110 0.819,111 0.819,112 3.473,113 1.077,114 -3.27,115 -3.26,116 -3.12,119 37.9,121 2,124 1,125 6,130 1,142 5,143 2,146 1,147 1,149 1,151 1,152 1,172 5,174 3,175 5,180 5,183 6,186 1,187 10,192 2,195 6,198 3,199 7,204 1,207 2,211 1,212 9,215 5,217 1,220 4,223 4,224 4,232 6,236 1,237 6,240 3,242 2,245 5,250 8,255 4,258 2,262 2,263 4,266 2,268 2,275 1460,276 21.001,277 21.001,278 21.001,279 21.001,280 21.001,281 18.934,282 22.767,283 12.232,284 21.745,285 17.299,286 17.299,287 17.299,288 17.299,289 17.299,290 14.04,291 31.951,292 5.752,293 18.521,294 4.187,295 2.169,296 1.179,297 0.841,298 0.806,299 0.806,300 4.18,304 1,305 1,306 564,307 3.536,310 64.378,311 365.307,314 119.682,318 1.041,319 39.363,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 67.5,331 256,332 5.085,333 5.454,334 8.502,335 4.737,336 3.836,337 4.732,338 3.272,339 16.596,340 3.445,341 4.583,342 3.381,343 6.707,344 4.127,345 3.151,346 4.512,347 0.86,348 10.898,349 3.081,350 4.215,351 3.155,352 6.262,353 3.798,354 2.867,355 3.866,356 0.8,357 9.311,358 2.657,359 3.78,360 3.058,361 6.037,362 3.419,363 2.49,364 3.105,365 0.4,366 8.098,367 2.309,368 3.722,369 2.514,370 5.729,371 3.285,372 2.338,373 3.005,375 7.608,376 2.183,377 3.162,378 2.264,379 4.962,380 2.864,381 1.917,382 2.327,384 5.407,385 1.81,386 3.048,387 2.015,388 4.571,389 2.61,390 1.697,391 2.304,393 4.233,394 1.545,395 2.845,396 1.873,397 4.358,398 2.545,399 1.548,400 1.925,402 4.087,403 1.542,404 2.818,405 1.548,406 3.995,407 2.377,408 1.448,409 1.888,411 3.494,412 1.34,413 2.5,414 1.465,415 3.732,416 2.12,417 1.183,418 1.5,420 2.91,421 1.102,422 2.375,423 1.303,424 3.677,425 1.984,426 1.032,427 1.352,428 2.58,429 0.983,430 2.194,431 1.256,432 3.492,433 1.97,434 1,435 1.165,436 2.231,437 0.968,438 2,439 1.077,440 3.404,441 1.952,442 1,443 1,445 2.23,446 0.946,447 2,448 1,449 3.247,450 1.916,451 1,452 1,454 2.136,455 0.907,456 1.956,457 0.786,458 3.183,459 1.435,460 0.471,461 0.696,463 1.217,464 0.453,465 14.833,466 0.478,467 0.866,468 0.028,469 38.75,470 1.25,471 17.5,472 0.565,473 21.25,474 0.685,475 30.523,476 0.985,477 34.367,478 0.593,479 31.211,480 1.007,481 7.112,482 0.229,483 7.867,484 0.254,485 0.079,486 0.09,487 0.229,493 0.686,494 1.448,495 0.836,496 1.24,497 0.653,498 1.002,499 1.004,500 1.101,501 1.042,502 1.028,503 0.619,504 0.919,505 1.153,506 1.059,507 1.111,508 1.018,509 1.151,510 0.947,511 1.021,512 1.214,513 1.145,514 1.181,515 1.289,516 1.099,517 1.02,518 0.955,519 0.855,520 0.843,521 1.299,522 0.886,523 0.911,524 0.906,525 0.835,526 0.753,527 0.789,528 0.832,529 0.845,530 1.08,531 1.284,532 1.28,533 0.766,534 1.198,535 0.991,536 1.253,537 1.228,538 1.414,539 1.259,540 1.335,541 6.5,542 0.009,543 4.667,544 2.563,545 1.426,546 1.757,547 1.112,548 0.641,549 0.463,550 0.263,551 11326,552 29085,553 2.143,554 46.6,556 20,557 1,559 2,562 4,564 1.749,565 2.022,566 3.007,567 0.257,569 1,573 96.909,574 1.671,575 3.688,576 4.679,577 5.017,578 5.052,579 5.052,580 2.22,581 4.414,582 4.929,583 3.211,584 1493.05,585 8.678,586 20591.9,588 1,590 1,591 339.763,592 1.499,593 4.882,594 0.186,595 0.001,596 0.09,597 0.046,598 0.025,599 0.033,600 0.02,601 0.011,602 0.008,603 0.008,604 0.427,605 0.33,606 0.88,607 0.646,608 155.414,609 0.038,610 -0.187,611 0.195,612 -0.053,613 -0.11,614 0.025,615 0.004,616 0.049,617 -0.008,618 0.051,619 0.191,620 0.061,621 -0.136,622 0.008,623 -0.049,624 0.047,625 -0.095,626 0.04,627 -0.044,628 -0.154,629 -0.111,630 -0.135,631 -0.046,632 -0.114,633 0.023,634 0.04,635 0.064,636 0.06,637 -0.079,638 0.061,639 0.005,640 0.172,641 0.071,642 0.169,643 0.024,644 0.116,645 -0.052,646 0.087,647 -0.203,648 -0.132,649 -0.014,650 -0.184,651 -0.073,652 -0.271,653 -0.204,654 -0.32,655 -0.087,656 -0.303,657 4.315,658 6.088,659 0.871,660 24.604,661 1.005,662 1.131,663 2.038,664 4.153,665 0.662,666 3.584,667 3.97,668 4.304,669 4.595,670 4.828,671 4.97,672 5.204,673 5.357,674 5.468,675 5.565,676 5.665,677 0.625,678 441.61,679 3.584,680 5.165,681 6.052,682 6.971,683 7.88,684 8.805,685 9.723,686 10.651,687 11.574,688 12.504,689 8.6,691 1,695 1,697 1,699 2,703 2,704 6,705 2,706 1,709 4,711 16,726 1,731 58,733 18,734 1,735 35,737 62,738 22,739 12,740 3,741 3,746 5,747 6,755 2,756 1,758 2,761 12,762 10,763 1,766 2,769 1,771 2,778 1,781 27,782 7,783 2,784 9,785 1,790 5,794 0.8,795 3,806 1,807 1,811 1,812 4,815 1,835 1,839 1,840 4,842 1,844 1,848 31,851 1,854 8,855 1,856 1,859 1,860 1,870 5.2,873 2,874 1,877 15.333,878 10.517,879 6.59,880 3.526,881 3.174,882 1.402,883 1.006,884 5.409,885 11.065,886 3.829,887 4.474,888 5.049,889 5.668,890 6.195,891 6.611,892 7.125,893 7.576,894 7.866,895 8.252,896 0.667,897 56,898 11.787,900 5.445,901 7.715,902 22.485,904 19.655,905 2.215,906 68.667,910 294.278,911 107.657,912 71.492,914 55.313,916 6.046,917 101.611,918 349.59,919 71.492,920 7.19,921 22.677,922 80.485,923 88.884,924 30.753,925 16.243,926 282.506,928 294.278,929 173.103,930 55.313,931 6.046,933 249.521,934 91.397,935 11,937 60.23,938 76.974,939 39.617,941 294.278,942 126.804,943 107.657,945 6.046,946 294.278,947 37.992,948 66.743,949 34.796,950 88.884,951 294.278,952 126.804,953 107.657,955 0.594,956 0.359,957 0.199,958 0.103,959 28,960 11,961 0.065,962 4,963 1,964 1.074,965 3.995,966 312.562,967 0.074,968 27,969 143.58,973 1,974 20.743,975 8.084,976 3.71,977 2.019,978 110.019,979 11.76,980 9.801,981 3.231,984 2.811,986 34.796,987 528.739,988 45,991 -3.398,993 26.177,999 58.287,1000 65.607,1001 0.285,1002 0.63,1003 0.799,1004 0.857,1005 0.862,1006 0.862,1007 5.112,1008 1.548,1009 6.098,1010 4.233,1011 4.654,1012 5.162,1013 3.226,1014 7.052,1015 4.524,1016 6.358,1017 1.448,1018 7.757,1019 4.087,1020 4.511,1021 5.286,1022 0.325,1023 8.583,1024 4.259,1025 7.734,1026 1.183,1027 9.554,1028 3.494,1029 6.438,1030 7.506,1031 5.447,1032 11.738,1033 6.156,1034 9.159,1035 1.032,1036 11.445,1037 2.91,1038 7.179,1039 8.474,1040 0.268,1041 14.167,1042 6.76,1043 10.628,1044 1,1045 13.402,1046 2.58,1047 8.65,1048 10.236,1049 7.807,1050 17.023,1051 8.18,1052 12.129,1053 1,1054 15.405,1055 2.231,1056 9.749,1057 11.535,1058 0.188,1059 19.723,1060 9.146,1061 13.652,1062 1,1063 17.442,1064 2.23,1065 11.093,1066 13.146,1067 10.177,1068 22.532,1069 10.41,1070 3.836,1071 0.471,1072 19.505,1073 2.136,1074 12.331,1075 14.58,1076 0.125,1077 25.308,1078 11.523,1079 3.151,1080 16.596,1081 21.587,1082 1.217,1083 13.649,1084 16.137,1085 12.548,1086 28.113,1087 12.742,1088 2.867,1089 10.898,1090 23.683,1091 4.732,1092 14.942,1093 17.627,1094 0.082,1095 30.912,1096 13.914,1097 2.49,1098 9.311,1099 25.789,1100 4.512,1101 16.262,1102 19.168,1103 14.919,1104 33.719,1105 15.125,1106 2.338,1107 8.098,1108 27.904,1109 3.866,1110 17.578,1111 20.683,1112 0.054,1113 36.524,1114 16.323,1115 1.917,1116 7.608,1117 30.025,1118 3.105,1119 18.905,1120 22.219,1121 17.29,1122 39.332,1123 17.535,1124 1.697,1125 5.407,1126 32.151,1127 3.005,1128 20.233,1129 23.745,1130 0.035,1131 42.14,1132 18.745,1133 10595,1134 17113,1135 23.633,1136 38.415,1137 53.994,1138 55.829,1139 55.004,1140 54.079,1141 53.958,1142 68.754,1143 10.665,1144 166.071,1145 50.544,1146 6.085,1147 7.454,1148 8.304,1149 5.841,1150 5.836,1151 7.732,1152 6.545,1153 25.467,1154 5.445,1155 12.012,1156 1.543,1157 1.595,1158 1.572,1159 1.545,1160 1.542,1161 1.964,1162 0.305,1163 4.745,1164 1.444,1165 4.162,1166 4.186,1167 4.739,1168 4.115,1169 7.714,1170 4.075,1171 4.064,1172 4.066,1173 4.094,1174 4.022,1175 6.999,1176 3.965,1177 3.831,1178 3.875,1179 3.823,1180 3.657,1181 5.047,1182 3.658,1183 3.632,1184 3.66,1185 3.589,1186 3.47,1187 4.862,1188 3.442,1189 3.596,1190 3.651,1191 3.494,1192 3.397,1193 4.604,1194 3.4,1195 3.376,1196 3.432,1197 3.27,1198 3.254,1199 4.351,1200 3.251,1201 3.111,1202 3.206,1203 2.917,1204 2.941,1205 4.275,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.975,1212 2.91,1213 0.145,1214 0.156,1215 0.243,1216 0.135,1217 0.11,1218 5.085,1219 0.135,1220 5.454,1221 0.093,1222 8.502,1223 0.474,1224 4.737,1225 0.098,1226 3.836,1227 4.732,1228 3.272,1229 16.596,1230 3.445,1231 2.013,1232 2.007,1233 2.064,1234 2.119,1235 1.483,1236 2.136,1237 1.926,1238 1.916,1239 2.004,1240 2.013,1241 1.21,1242 2.028,1243 1.736,1244 1.687,1245 1.923,1246 1.957,1247 1.168,1248 1.952,1249 1.527,1250 1.499,1251 1.686,1252 1.754,1253 0.926,1254 1.771,1255 1.518,1256 1.467,1257 1.635,1258 1.707,1259 0.825,1260 1.73,1261 1.456,1262 1.4,1263 1.578,1264 1.645,1265 0.825,1266 1.647,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.729,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.654,1278 1.429,1279 4.263,1281 5.631,1282 2.398,1283 7.216,1284 4.595,1285 8.899,1286 6.605,1287 10.635,1289 1.335,1295 4.986,1296 3.287,1297 5.511,1300 2.159,1301 -1.011,1305 36.233,1306 96.909,1307 213.933,1308 271.398,1309 291.008,1310 293.008,1311 293.008,1312 60.972,1313 7.891,1314 100.21,1315 108.59,1316 29,1317 13.007,1318 4.248,1319 3.459,1320 43.027,1321 106,1322 102,1323 0.201,1324 221.434,1325 376.06,1326 532.06,1327 26175,1329 21.476,1330 0.693,1331 0.594,1332 21.726,1333 18.412,1334 14.978,1335 0.428,1336 0.359,1337 10.669,1338 13.603,1339 10.281,1340 8.392,1341 15.853,1342 12.561,1343 14.239,1344 0.274,1345 0.204,1346 15.613,1347 10.621,1348 12.103,1349 0.166,1350 0.117,1351 13.077,1352 8.508,1353 10.556,1354 0.108,1355 0.062,1356 11.384,1357 6.101,1358 8.475,1359 0.068,1360 0.031,1361 9.055,1362 3.899,1363 0.3,1364 102.964,1365 0.206,1366 28.039,1367 0.604,1368 174,1369 483.668,1370 226.92,1371 482.763,1372 663.24,1373 450,1374 212,1375 467.91,1376 273.378,1377 503.37,1378 742.42,1379 473,1380 5.569}
{0 CHEMBL2326951,1 1.723,2 12.172,3 2.158,4 4.655,5 114.588,6 7.953,7 0.333,8 4.086,9 4.196,10 3.764,11 3.596,12 5.118,13 3.58,14 4.679,15 4.862,16 4.138,17 4.01,18 5.669,19 3.978,20 4.886,21 5.08,22 4.226,23 4.149,24 5.857,25 4.09,26 4.95,27 5.178,28 4.111,29 4.136,30 5.938,31 4.039,32 4.873,33 5.116,34 4.035,35 4.012,36 5.838,37 3.92,38 4.604,39 4.788,40 3.942,41 3.916,42 5.67,43 3.84,44 4.582,45 4.765,46 3.895,47 3.857,48 5.756,49 3.762,50 4.449,51 4.623,52 3.755,53 3.805,54 5.362,55 3.677,56 0.054,57 0.83,58 10.678,59 4.799,60 5.573,61 5.922,62 0.486,63 1.369,64 24.436,65 7.908,66 23.936,67 9.854,68 0.523,69 1.577,70 30.947,71 10.349,72 29.044,73 13.203,74 0.597,75 1.603,76 34.336,77 11.451,78 50.379,79 15.196,80 0.767,81 1.465,82 35.374,83 10.05,84 50.554,85 13.77,86 0.25,87 1.193,88 21.955,89 8.607,90 30.944,91 10.85,92 0.632,93 1.182,94 26.235,95 8.118,96 61.316,97 9.793,98 0.148,99 1.063,100 22.39,101 8.499,102 14.146,103 10.219,104 5,105 47,106 0.288,107 0.585,108 0.728,109 0.789,110 0.789,111 0.789,112 3.408,113 0.973,114 -2.44,115 -2.46,116 -2.41,119 38.5,124 1,125 8,135 1,139 1,143 2,144 1,145 2,150 1,151 1,152 1,157 1,172 1,174 4,175 6,183 1,186 2,187 5,195 2,198 2,199 3,207 1,211 5,212 7,220 1,236 6,237 5,250 3,262 2,263 1,275 1368,276 20.016,277 20.016,278 20.016,279 20.016,280 20.016,281 18.483,282 25.365,283 11.722,284 20.862,285 16.301,286 16.301,287 16.301,288 16.301,289 16.301,290 13.82,291 34.911,292 5.583,293 17.661,294 3.978,295 2.197,296 1.342,297 0.976,298 0.976,299 0.976,300 4.122,304 1,305 1,306 790,307 2.236,310 63.667,311 346.155,314 116.152,318 1.902,319 28.087,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 63.5,331 353,332 4.592,333 3.648,334 6.823,335 4.193,336 3.245,337 4.283,338 1.138,339 11.298,340 3.079,341 4.17,342 3.181,343 6.185,344 3.816,345 2.893,346 3.688,347 0.86,348 9.186,349 2.701,350 3.994,351 3.144,352 6.128,353 3.698,354 2.773,355 3.312,356 0.8,357 9.006,358 2.56,359 3.764,360 3.014,361 5.949,362 3.491,363 2.529,364 2.998,365 0.8,366 8.258,367 2.395,368 3.422,369 2.639,370 5.105,371 3.218,372 2.297,373 2.546,374 0.643,375 6.13,376 2.11,377 3.244,378 2.434,379 5.023,380 2.885,381 1.91,382 2.34,384 5.673,385 1.843,386 2.983,387 2.26,388 4.537,389 2.701,390 1.819,391 2.003,393 4.671,394 1.594,395 2.687,396 1.783,397 4.376,398 2.373,399 1.451,400 1.71,402 4.113,403 1.331,404 2.558,405 1.651,406 4.029,407 2.085,408 1.263,409 1.564,411 3.027,412 1.029,413 2.5,414 1.267,415 3.754,416 1.967,417 1.032,418 1.5,420 2.846,421 0.965,422 2.374,423 1.256,424 3.444,425 1.961,426 1,427 1.314,428 2.275,429 0.947,430 2.175,431 1.146,432 3.414,433 1.952,434 1,435 1.05,436 2.275,437 0.946,438 2,439 1.122,440 3.414,441 1.917,442 1,443 1,445 2.136,446 0.916,447 2,448 1,449 3.247,450 1.679,451 0.808,452 1,454 2.132,455 0.681,456 1.261,457 0.437,458 2.733,459 0.87,460 -0.07,461 -0.078,463 -0.16,464 -0.065,465 13.833,466 0.477,467 0.657,468 0.023,469 35,470 1.207,471 14,472 0.483,473 21,474 0.724,475 26.045,476 0.898,477 31.767,478 0.611,479 25.524,480 0.88,481 6.775,482 0.234,483 7.411,484 0.256,485 0.06,487 0.34,493 0.826,494 1.581,495 0.707,496 1.135,497 0.565,498 1.001,499 1.205,500 0.83,501 0.91,502 0.743,503 0.688,504 0.746,505 1.096,506 1.049,507 0.867,508 0.97,509 0.887,510 0.968,511 0.918,512 1.013,513 0.871,514 0.921,515 0.817,516 0.956,517 0.927,518 0.798,519 0.891,520 0.825,521 0.968,522 0.8,523 0.998,524 1.224,525 0.836,526 1.052,527 1.598,528 1.049,529 1.055,530 0.952,531 1.374,532 1.157,533 1.802,534 1.078,535 0.651,536 1.468,537 1.354,538 1.649,539 0.598,540 1.408,541 5,542 0.174,543 3.778,544 1.535,545 1.37,546 1.129,547 0.783,548 0.333,549 0.17,550 0.178,551 11776,552 29658,553 2.193,554 44.2,556 20,557 1,558 2,564 1.718,565 2.096,566 3.552,567 -0.683,568 1,569 1,573 89.578,574 1.723,575 3.504,576 4.359,577 4.724,578 4.724,579 4.724,580 3.069,581 4.28,582 4.826,583 3.695,584 1500.28,585 8.398,586 20114.1,588 1,590 1,591 296.423,592 1.247,593 4.809,594 0.152,595 0.008,596 0.08,597 0.032,598 0.032,599 0.029,600 0.021,601 0.01,602 0.006,603 0.007,604 0.378,605 0.5,606 0.88,607 0.434,608 147.462,609 -0.035,610 -0.388,611 0.095,612 -0.125,613 0.015,614 -0.047,615 -0.117,616 0.302,617 0.028,618 0.204,619 0.019,620 0.164,621 -0.066,622 -0.014,623 0.038,624 -0.021,625 -0.015,626 -0.016,627 0.027,628 -0.047,629 0.054,630 0.023,631 0.084,632 0.024,633 0.108,634 0.16,635 0.129,636 0.142,637 0.002,638 0.177,639 -0.072,640 -0.223,641 0.048,642 -0.06,643 -0.076,644 -0.056,645 0.09,646 0.145,647 -0.198,648 -0.041,649 0.018,650 -0.12,651 0.015,652 -0.393,653 -0.195,654 -0.422,655 -0.065,656 -0.351,657 1.682,658 5.625,659 0.931,660 30.409,661 1.01,662 1.13,663 1.205,664 1.453,665 0.671,666 3.526,667 3.871,668 4.19,669 4.477,670 4.745,671 4.875,672 5.056,673 5.198,674 5.338,675 5.481,676 6.888,677 0.638,678 413.55,679 3.526,680 5.081,681 5.953,682 6.843,683 7.731,684 8.627,685 9.522,686 10.423,687 11.323,688 12.228,689 9.6,692 2,695 1,699 2,704 3,705 2,708 1,709 5,711 11,716 1,726 1,729 1,731 52,733 13,735 33,737 56,738 20,739 8,742 3,746 5,747 6,761 11,762 9,766 2,771 1,773 1,775 2,778 1,781 23,782 8,784 9,785 1,790 5,794 0.8,795 3,806 1,811 1,812 4,815 1,831 1,836 2,839 1,840 4,842 1,844 1,848 29,854 8,856 2,859 3,865 1,870 5.8,873 1,874 1,875 1,877 13.833,878 9.75,879 6.25,880 3.189,881 2.589,882 1.316,883 1.006,884 5.349,885 10.781,886 3.726,887 4.273,888 4.849,889 5.41,890 5.89,891 6.284,892 6.716,893 7.102,894 7.462,895 7.792,896 1,897 48,898 10.782,900 4.675,901 7.621,902 20.951,904 17.664,905 2.121,906 61.5,910 270.735,911 121.533,912 42.944,914 47.145,916 31.278,917 90.256,918 317.88,919 42.944,920 8.396,921 21.819,922 17.125,923 98.392,924 54.897,925 15.029,926 266.7,928 270.735,929 133.2,930 47.145,931 31.278,933 270.735,934 36.145,935 11,937 48.062,938 42.091,939 43.047,940 31.278,941 270.735,942 90.089,943 121.533,946 270.735,947 77.917,948 52.989,950 80.716,951 270.735,952 90.089,953 121.533,955 0.586,956 0.348,957 0.189,958 0.106,959 25,960 10,961 0.054,962 3,963 1,964 1.074,965 4.14,966 267.37,967 0.074,968 27,969 128.881,970 1,974 19.127,975 8.11,976 3.822,978 90.089,979 5.597,980 9.158,983 1.402,984 3.704,987 482.357,988 40.5,993 12.625,995 1.584,997 0.583,999 52.52,1000 58.777,1001 0.302,1002 0.615,1003 0.765,1004 0.829,1005 0.829,1006 0.829,1007 4.996,1008 1.451,1009 5.938,1010 4.671,1011 4.554,1012 4.959,1013 2.018,1014 6.767,1015 4.405,1016 6.172,1017 1.263,1018 7.505,1019 4.113,1020 4.111,1021 4.705,1022 0.766,1023 7.695,1024 3.932,1025 7.472,1026 1.032,1027 9.173,1028 3.027,1029 6.163,1030 7.062,1031 1.835,1032 10.815,1033 5.89,1034 8.806,1035 1,1036 10.902,1037 2.846,1038 6.567,1039 7.691,1040 0.762,1041 12.592,1042 6.262,1043 10.178,1044 1,1045 12.67,1046 2.275,1047 8.066,1048 9.505,1049 1.824,1050 15.223,1051 7.68,1052 11.576,1053 1,1054 14.466,1055 2.275,1056 8.858,1057 10.544,1058 0.788,1059 17.346,1060 8.434,1061 12.993,1062 0.808,1063 16.28,1064 2.136,1065 10.135,1066 12.137,1067 1.895,1068 19.815,1069 9.642,1070 3.245,1071 -0.07,1072 18.11,1073 2.132,1074 11.112,1075 13.377,1076 0.903,1077 22.091,1078 10.576,1079 2.893,1080 11.298,1081 19.951,1082 -0.16,1083 12.301,1084 14.878,1085 2.015,1086 24.51,1087 11.705,1088 2.773,1089 9.186,1090 21.8,1091 4.283,1092 13.367,1093 16.217,1094 1.086,1095 26.856,1096 12.725,1097 2.529,1098 9.006,1099 23.658,1100 3.688,1101 14.524,1102 17.681,1103 2.169,1104 29.263,1105 13.827,1106 2.297,1107 8.258,1108 25.521,1109 3.312,1110 15.634,1111 19.071,1112 1.314,1113 31.644,1114 14.89,1115 1.91,1116 6.13,1117 27.39,1118 2.998,1119 16.784,1120 20.521,1121 2.346,1122 34.052,1123 15.988,1124 1.819,1125 5.673,1126 29.264,1127 2.546,1128 17.917,1129 21.938,1130 1.568,1131 36.451,1132 17.073,1133 10823,1134 17393,1135 22.77,1136 34.892,1137 50.629,1138 51.381,1139 51.098,1140 49.996,1141 50.041,1142 60.617,1143 8.481,1144 146.046,1145 46.195,1146 5.592,1147 5.648,1148 6.625,1149 5.332,1150 5.245,1151 7.283,1152 2.22,1153 18.664,1154 5.032,1155 10.151,1156 1.534,1157 1.557,1158 1.548,1159 1.515,1160 1.516,1161 1.837,1162 0.257,1163 4.426,1164 1.4,1165 4.038,1166 4.056,1167 4.275,1168 4.006,1169 7.428,1170 3.967,1171 3.865,1172 3.92,1173 3.83,1174 3.674,1175 5.012,1176 3.693,1177 3.773,1178 3.826,1179 3.71,1180 3.588,1181 4.801,1182 3.598,1183 3.644,1184 3.689,1185 3.592,1186 3.48,1187 4.6,1188 3.48,1189 3.337,1190 3.369,1191 3.368,1192 3.214,1193 4.355,1194 3.205,1195 3.164,1196 3.254,1197 3.057,1198 2.941,1199 4.229,1200 2.93,1201 3.111,1202 3.206,1203 2.87,1204 2.941,1205 3.962,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.938,1211 3.829,1212 2.91,1213 0.139,1214 0.111,1215 0.207,1216 0.127,1217 0.098,1218 4.592,1219 0.13,1220 3.648,1221 0.034,1222 6.823,1223 0.342,1224 4.193,1225 0.093,1226 3.245,1227 4.283,1228 1.138,1229 11.298,1230 3.079,1231 1.853,1232 1.818,1233 1.995,1234 2.052,1235 1.285,1236 2.037,1237 1.776,1238 1.736,1239 1.937,1240 1.994,1241 1.206,1242 1.978,1243 1.701,1244 1.643,1245 1.843,1246 1.884,1247 0.965,1248 1.877,1249 1.563,1250 1.543,1251 1.646,1252 1.738,1253 0.825,1254 1.72,1255 1.285,1256 1.252,1257 1.542,1258 1.48,1259 0.825,1260 1.507,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.771,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.653,1272 1.429,1273 1.134,1274 1.051,1275 1.286,1276 1.313,1277 0.43,1278 1.351,1279 4.205,1281 5.541,1282 2.398,1283 7.081,1284 4.727,1285 8.707,1286 6.862,1287 10.379,1289 2.127,1295 6.586,1297 11.577,1300 6.557,1305 33.18,1306 89.578,1307 182.202,1308 226.648,1309 245.668,1310 245.668,1311 245.668,1312 42.637,1313 8.192,1314 74.94,1315 103.18,1316 29,1317 12.748,1318 3.807,1319 3.087,1320 39.711,1321 118,1322 135,1323 0.163,1324 202.25,1325 352.36,1326 485.249,1327 43675,1329 19.794,1330 0.683,1331 0.591,1332 20.148,1333 17.152,1334 14.187,1335 0.43,1336 0.324,1337 9.699,1338 12.978,1339 9.434,1340 7.695,1341 14.641,1342 10.708,1343 12.871,1344 0.274,1345 0.177,1346 13.395,1347 8.298,1348 11.379,1349 0.175,1350 0.099,1351 12.148,1352 6.464,1353 9.662,1354 0.111,1355 0.053,1356 10.513,1357 4.612,1358 8.043,1359 0.071,1360 0.028,1361 8.765,1362 3.188,1363 0.256,1364 94.81,1365 0.21,1366 27.602,1367 0.443,1368 160,1369 486.293,1370 201.768,1371 475.848,1372 654.92,1373 450,1374 192,1375 468.269,1376 236.447,1377 482.7,1378 717.73,1379 453,1380 6.462}
{0 CHEMBL2326952,1 1.638,2 11.37,3 3.5,4 12.249,5 103.774,6 8.38,7 0.367,8 3.954,9 4.031,10 3.666,11 3.528,12 5.071,13 3.508,14 4.509,15 4.64,16 4.035,17 3.907,18 5.649,19 3.874,20 4.7,21 4.862,22 4.135,23 3.994,24 5.813,25 3.959,26 4.683,27 4.826,28 4.051,29 3.988,30 5.91,31 3.933,32 4.68,33 4.852,34 3.938,35 3.946,36 5.771,37 3.863,38 4.563,39 4.729,40 3.87,41 3.913,42 5.654,43 3.816,44 4.53,45 4.694,46 3.808,47 3.83,48 5.708,49 3.719,50 4.403,51 4.574,52 3.72,53 3.632,54 5.539,55 3.535,56 0.079,57 0.612,58 8.229,59 4.684,60 7.826,61 5.068,62 0.471,63 1.036,64 19.185,65 7.933,66 32.793,67 8.516,68 0.548,69 1.218,70 25.393,71 9.544,72 38.864,73 10.485,74 0.582,75 1.169,76 23.576,77 9.784,78 56.527,79 10.583,80 0.627,81 1.177,82 26.735,83 9.953,84 59.484,85 11.076,86 0.352,87 1.081,88 22.25,89 9.326,90 39.685,91 10.489,92 0.436,93 1.051,94 23.952,95 9.253,96 51.027,97 10.067,98 0.519,99 0.909,100 24.182,101 8.162,102 41.424,103 8.879,104 13,105 42,106 0.28,107 0.628,108 0.765,109 0.801,110 0.816,111 0.816,112 3.34,113 0.971,114 -3.46,115 -3.44,116 -3.28,119 43.5,120 1,125 5,135 1,139 1,142 4,143 3,144 1,151 1,152 1,157 1,158 1,172 7,174 2,175 7,183 9,186 1,187 7,195 7,198 2,199 9,207 5,211 1,212 8,220 5,224 7,232 5,236 1,237 5,245 3,249 2,250 6,258 2,263 2,275 1128,276 18.577,277 18.577,278 18.577,279 18.577,280 18.577,281 16.927,282 17.601,283 11.026,284 19.276,285 14.774,286 14.774,287 14.774,288 14.774,289 14.774,290 12.056,291 19.636,292 5.141,293 15.775,294 3.886,295 1.851,296 1.049,297 0.842,298 0.756,299 0.756,300 4.038,303 1,304 1,305 1,306 666,307 3,310 59.576,311 235.121,314 108.222,318 1.791,319 32.752,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 307,332 4.592,333 3.659,334 6.823,335 4.195,336 3.244,337 4.284,338 1.674,339 11.298,340 3.088,341 4.199,342 3.646,343 6.17,344 3.83,345 2.852,346 3.751,347 1.138,348 9.137,349 2.793,350 4.019,351 3.178,352 6.036,353 3.687,354 2.74,355 3.363,356 0.86,357 8.605,358 2.608,359 3.775,360 3.031,361 5.931,362 3.475,363 2.499,364 3.046,365 0.643,366 8.191,367 2.393,368 3.352,369 2.479,370 5.08,371 2.925,372 1.934,373 2.563,375 5.687,376 1.897,377 2.991,378 2.312,379 4.537,380 2.701,381 1.819,382 2.024,384 4.671,385 1.595,386 2.888,387 1.951,388 4.299,389 2.485,390 1.543,391 1.938,393 3.957,394 1.435,395 2.574,396 1.796,397 4,398 2.091,399 1.266,400 1.589,402 3.025,403 1.036,404 2.5,405 1.742,406 3.754,407 2.014,408 1.074,409 1.5,411 2.848,412 1,413 2.408,414 1.269,415 3.444,416 2,417 1,418 1.347,420 2.275,421 0.993,422 2.179,423 1.256,424 3.414,425 1.952,426 1,427 1.07,428 2.138,429 0.946,430 2.066,431 1.143,432 3.247,433 1.802,434 0.881,435 1,436 2.136,437 0.788,438 2,439 1,440 2.934,441 1.663,442 0.735,443 0.932,445 1.338,446 0.663,447 1.252,448 0.44,449 2.699,450 0.729,451 -0.22,452 -0.284,454 -0.545,455 -0.199,456 0.945,457 0.281,458 2.603,459 0.542,460 -0.444,461 -0.552,463 -0.861,464 -0.429,465 12.9,466 0.478,467 0.589,468 0.022,469 32.75,470 1.213,471 15,472 0.556,473 17.75,474 0.657,475 22.847,476 0.846,477 29.1,478 0.633,479 24.723,480 0.916,481 6.494,482 0.241,483 6.675,484 0.247,485 0.09,487 0.341,493 0.75,494 1.219,495 0.684,496 1.016,497 0.558,498 0.918,499 1.016,500 0.912,501 0.884,502 0.845,503 0.611,504 0.811,505 1.112,506 0.884,507 0.797,508 0.851,509 0.848,510 0.809,511 1.129,512 1.014,513 0.968,514 0.972,515 1.16,516 1.002,517 1.117,518 0.947,519 1.06,520 0.94,521 1.208,522 0.958,523 0.894,524 1.071,525 1.069,526 1.083,527 1.092,528 1.077,529 0.906,530 1.179,531 1.321,532 1.279,533 1.264,534 1.18,535 0.754,536 1.193,537 1.285,538 1.422,539 0.965,540 1.167,541 4.5,542 0.152,543 3.556,544 1.66,545 1.308,546 1.031,547 0.683,548 0.361,549 0.179,550 0.172,551 8849,552 26628,553 2.12,554 41.3,556 15,557 1,561 3,564 1.701,565 2,566 3.454,567 -0.733,569 1,573 75.325,574 1.638,575 3.673,576 4.474,577 4.681,578 4.768,579 4.768,580 2.936,581 4.06,582 4.72,583 3.588,584 1259.44,585 8.2,586 15915.4,588 1,590 1,591 254.084,592 1.352,593 4.694,594 0.15,595 0.009,596 0.085,597 0.038,598 0.032,599 0.029,600 0.02,601 0.012,602 0.007,603 0.009,604 0.39,605 0.33,606 1,607 1.057,608 133.507,609 -0.034,610 -0.155,611 0.073,612 -0.048,613 -0.033,614 -0.008,615 -0.023,616 0.148,617 0.032,618 0.126,619 0.047,620 0.105,621 -0.083,622 0.131,623 0.128,624 0.094,625 -0.017,626 0.131,627 -0.057,628 -0.036,629 -0.056,630 -0.011,631 -0.023,632 -0.063,633 -0.1,634 0.027,635 -0.059,636 0.061,637 -0.151,638 0.019,639 -0.098,640 -0.074,641 -0.089,642 -0.055,643 -0.099,644 -0.083,645 -0.025,646 -0.155,647 -0.181,648 -0.169,649 -0.056,650 -0.182,651 0.189,652 -0.174,653 -0.049,654 -0.273,655 0.025,656 -0.154,657 2.014,658 5.533,659 0.778,660 27.144,661 1.017,662 1.113,663 2.229,664 4.969,665 0.691,666 3.434,667 3.761,668 4.078,669 4.357,670 4.595,671 4.745,672 4.934,673 5.069,674 5.17,675 5.268,676 6.424,677 0.664,678 385.47,679 3.434,680 4.977,681 5.844,682 6.73,683 7.616,684 8.513,685 9.408,686 10.31,687 11.212,688 12.118,689 2.2,692 1,704 5,708 1,709 5,711 11,716 1,721 1,729 1,731 46,733 14,734 1,735 30,737 49,738 20,739 10,740 2,741 4,742 4,746 4,747 5,752 1,761 14,762 6,766 3,771 2,773 1,775 3,777 1,778 1,781 19,782 6,784 7,785 1,790 1,794 0.75,795 5,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 1,848 27,854 5,856 3,859 1,865 1,870 10.9,873 2,874 1,875 2,877 13.5,878 8.7,879 6,880 2.924,881 2.623,882 1.34,883 0.984,884 5.389,885 10.346,886 3.676,887 4.23,888 4.825,889 5.385,890 5.854,891 6.264,892 6.701,893 7.062,894 7.412,895 7.741,896 0.875,897 44,898 10.036,900 4.334,901 7.84,902 19.034,904 15.678,905 2.34,906 63.167,909 1,910 223.651,911 146.42,912 3.124,914 83.29,916 31.278,917 115.142,918 306.94,919 3.124,920 8.825,921 17.989,922 55.03,923 73.615,924 44.739,925 13.13,926 243.158,928 223.651,929 118.266,930 83.29,931 31.278,933 188.338,934 107.603,935 11,937 29.938,938 78.852,939 9.476,940 31.278,941 223.651,942 86.414,943 146.42,946 223.651,947 82.564,948 66.98,950 83.29,951 223.651,952 86.414,953 146.42,955 0.576,956 0.347,957 0.191,958 0.101,959 21,960 9,961 0.102,962 5,963 1,964 1.095,965 3.883,966 236.465,967 0.095,968 21,969 120.382,970 1,974 18.355,975 7.927,976 3.699,978 86.414,979 9.045,983 1.368,984 3.402,987 456.484,988 38.5,993 24.357,995 1.553,997 0.177,999 46.767,1000 51.202,1001 0.296,1002 0.665,1003 0.81,1004 0.847,1005 0.863,1006 0.863,1007 4.925,1008 1.266,1009 5.826,1010 3.957,1011 4.443,1012 4.916,1013 2.417,1014 6.661,1015 4.331,1016 6.116,1017 1.074,1018 7.398,1019 3.025,1020 4.007,1021 4.705,1022 0.325,1023 7.609,1024 3.905,1025 7.424,1026 1,1027 9.074,1028 2.848,1029 6.052,1030 7.061,1031 3.048,1032 10.735,1033 5.86,1034 8.77,1035 1,1036 10.812,1037 2.275,1038 6.479,1039 7.724,1040 0.424,1041 12.526,1042 6.283,1043 10.153,1044 0.881,1045 12.589,1046 2.138,1047 7.968,1048 9.53,1049 3.907,1050 15.161,1051 7.702,1052 11.56,1053 0.735,1054 14.392,1055 2.136,1056 8.781,1057 10.588,1058 0.581,1059 17.291,1060 8.491,1061 12.986,1062 -0.22,1063 16.213,1064 1.338,1065 10.052,1066 12.176,1067 4.867,1068 19.765,1069 9.706,1070 3.244,1071 -0.444,1072 18.048,1073 -0.545,1074 11.044,1075 13.423,1076 0.788,1077 22.046,1078 10.66,1079 2.852,1080 11.298,1081 19.894,1082 -0.861,1083 12.231,1084 14.92,1085 5.868,1086 24.47,1087 11.796,1088 2.74,1089 9.137,1090 21.748,1091 4.284,1092 13.307,1093 16.261,1094 1.027,1095 26.821,1096 12.826,1097 2.499,1098 8.605,1099 23.608,1100 3.751,1101 14.465,1102 17.722,1103 6.887,1104 29.232,1105 13.935,1106 1.934,1107 8.191,1108 25.475,1109 3.363,1110 15.581,1111 19.112,1112 1.284,1113 31.617,1114 15.002,1115 1.819,1116 5.687,1117 27.346,1118 3.046,1119 16.733,1120 20.559,1121 7.913,1122 34.029,1123 16.104,1124 1.543,1125 4.671,1126 29.222,1127 2.563,1128 17.87,1129 21.974,1130 1.553,1131 36.431,1132 17.19,1133 8480,1134 14838,1135 20.285,1136 31.779,1137 45.718,1138 47.387,1139 46.537,1140 45.113,1141 45.175,1142 56.814,1143 8.63,1144 130.612,1145 42.469,1146 5.592,1147 5.659,1148 6.625,1149 5.333,1150 5.244,1151 7.284,1152 3.349,1153 18.663,1154 5.088,1155 11.828,1156 1.524,1157 1.58,1158 1.551,1159 1.504,1160 1.506,1161 1.894,1162 0.288,1163 4.354,1164 1.416,1165 4.048,1166 4.051,1167 4.276,1168 4.031,1169 7.433,1170 3.997,1171 3.856,1172 3.881,1173 3.844,1174 3.773,1175 7.427,1176 3.76,1177 3.731,1178 3.756,1179 3.707,1180 3.567,1181 4.88,1182 3.568,1183 3.52,1184 3.57,1185 3.402,1186 3.3,1187 4.674,1188 3.311,1189 3.349,1190 3.368,1191 3.36,1192 3.23,1193 4.587,1194 3.22,1195 3.111,1196 3.206,1197 3.065,1198 2.942,1199 4.433,1200 2.935,1201 3.102,1202 3.109,1203 2.866,1204 2.941,1205 4.204,1206 2.91,1207 2.905,1208 2.925,1209 2.862,1210 2.735,1211 3.681,1212 2.715,1213 0.153,1214 0.122,1215 0.227,1216 0.14,1217 0.108,1218 4.592,1219 0.143,1220 3.659,1221 0.056,1222 6.823,1223 0.377,1224 4.195,1225 0.103,1226 3.244,1227 4.284,1228 1.674,1229 11.298,1230 3.088,1231 1.933,1232 1.918,1233 2.021,1234 2.019,1235 1.207,1236 2.016,1237 1.773,1238 1.748,1239 1.933,1240 1.977,1241 1.139,1242 1.968,1243 1.578,1244 1.554,1245 1.801,1246 1.766,1247 0.937,1248 1.763,1249 1.491,1250 1.448,1251 1.668,1252 1.723,1253 0.825,1254 1.725,1255 1.355,1256 1.332,1257 1.513,1258 1.434,1259 0.806,1260 1.454,1261 1.153,1262 1.064,1263 1.401,1264 1.376,1265 0.61,1266 1.429,1267 1.027,1268 1.024,1269 1.181,1270 1.194,1271 0.35,1272 1.19,1273 0.899,1274 0.885,1275 1.087,1276 1.145,1277 0.218,1278 1.126,1279 4.111,1281 5.434,1282 2.398,1283 6.963,1284 4.727,1285 8.585,1286 6.862,1287 10.255,1289 1.776,1295 2.969,1297 16.496,1300 2.023,1305 30.524,1306 75.325,1307 168.959,1308 205.819,1309 215.329,1310 219.329,1311 219.329,1312 47.642,1313 7.723,1314 68.98,1315 97.22,1316 23,1317 12.637,1318 3.907,1319 3.248,1320 40.228,1321 102,1322 124,1323 0.194,1324 187.531,1325 335.66,1326 449.336,1327 23369,1329 18.803,1330 0.696,1331 0.582,1332 19.156,1333 15.713,1334 13.169,1335 0.439,1336 0.324,1337 8.747,1338 12.086,1339 8.502,1340 6.954,1341 13.623,1342 9.707,1343 11.617,1344 0.277,1345 0.167,1346 12.141,1347 7.033,1348 10.201,1349 0.176,1350 0.094,1351 10.97,1352 5.436,1353 8.694,1354 0.113,1355 0.052,1356 9.544,1357 3.982,1358 6.832,1359 0.07,1360 0.027,1361 7.554,1362 2.666,1363 0.302,1364 88.01,1365 0.222,1366 25.855,1367 0.536,1368 144,1369 489.183,1370 183.865,1371 471.843,1372 638.34,1373 444,1374 172,1375 444.853,1376 212.383,1377 456.038,1378 679.06,1379 430,1380 6.146}
{0 CHEMBL2326953,1 1.663,2 10.615,3 3.151,4 9.929,5 99.026,6 8.638,7 0.379,8 3.897,9 3.969,10 3.636,11 3.474,12 5.044,13 3.461,14 4.445,15 4.567,16 4.005,17 3.859,18 5.605,19 3.834,20 4.613,21 4.756,22 4.114,23 3.956,24 5.77,25 3.926,26 4.656,27 4.8,28 4.009,29 3.95,30 5.878,31 3.892,32 4.616,33 4.791,34 3.889,35 3.889,36 5.683,37 3.802,38 4.5,39 4.671,40 3.817,41 3.83,42 5.596,43 3.737,44 4.401,45 4.543,46 3.771,47 3.733,48 5.636,49 3.641,50 4.297,51 4.44,52 3.691,53 3.559,54 5.495,55 3.477,56 0.096,57 0.57,58 7.142,59 4.316,60 8.087,61 4.493,62 0.507,63 0.969,64 17.423,65 7.314,66 33.49,67 7.441,68 0.483,69 1.134,70 21.288,71 8.726,72 32.252,73 9.246,74 0.64,75 1.132,76 22.636,77 9.486,78 60.803,79 9.983,80 0.598,81 1.115,82 24.827,83 9.481,84 49.777,85 10.516,86 0.395,87 1.009,88 21.3,89 8.75,90 42.649,91 9.633,92 0.436,93 0.927,94 20.553,95 8.097,96 48.703,97 8.2,98 0.5,99 0.824,100 21.024,101 7.332,102 38.111,103 7.41,104 12,105 41,106 0.288,107 0.649,108 0.776,109 0.793,110 0.809,111 0.809,112 3.305,113 0.943,114 -3.23,115 -3.22,116 -3.09,119 44.2,124 1,125 4,135 1,139 1,142 4,143 3,144 1,151 1,152 1,157 1,158 1,172 7,174 2,175 6,183 9,186 1,187 7,195 7,198 2,199 8,207 4,211 1,212 8,220 3,224 7,232 3,236 1,237 5,245 2,249 2,250 6,258 1,263 2,275 1012,276 17.87,277 17.87,278 17.87,279 17.87,280 17.87,281 16.22,282 16.523,283 10.421,284 18.53,285 14.236,286 14.236,287 14.236,288 14.236,289 14.236,290 11.495,291 18.473,292 4.845,293 15.157,294 3.763,295 1.682,296 0.948,297 0.855,298 0.762,299 0.762,300 4.002,303 1,304 1,305 1,306 600,307 2.828,310 56.07,311 221.886,314 101.776,318 1.692,319 31.582,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.5,331 276,332 4.592,333 3.653,334 6.823,335 4.195,336 3.244,337 4.284,338 1.674,339 11.298,340 3.088,341 4.197,342 3.643,343 6.17,344 3.827,345 2.85,346 3.75,347 1.138,348 9.136,349 2.792,350 4.017,351 3.178,352 6.031,353 3.684,354 2.736,355 3.362,356 0.86,357 8.574,358 2.606,359 3.774,360 3.031,361 5.929,362 3.474,363 2.496,364 3.044,365 0.643,366 8.177,367 2.393,368 3.347,369 2.478,370 5.079,371 2.918,372 1.924,373 2.559,375 5.678,376 1.892,377 2.99,378 2.311,379 4.537,380 2.701,381 1.819,382 2.017,384 4.671,385 1.594,386 2.863,387 1.929,388 4.261,389 2.415,390 1.453,391 1.909,393 3.738,394 1.378,395 2.572,396 1.747,397 3.958,398 2.086,399 1.263,400 1.584,402 2.983,403 1.029,404 2.5,405 1.461,406 3.754,407 2,408 1.032,409 1.5,411 2.788,412 1,413 2.399,414 1.269,415 3.444,416 1.965,417 1,418 1.329,420 2.275,421 0.949,422 2.177,423 1.256,424 3.414,425 1.952,426 1,427 1.052,428 2.136,429 0.946,430 2,431 1.142,432 3.247,433 1.681,434 0.809,435 1,436 2.123,437 0.682,438 1.476,439 1,440 2.715,441 1.13,442 0.213,443 0.249,445 0.288,446 0.19,447 1.251,448 0.435,449 2.675,450 0.719,451 -0.235,452 -0.309,454 -0.59,455 -0.213,456 0.944,457 -0.076,458 2.466,459 0.527,460 -0.478,461 -0.63,463 -1.204,464 -0.472,465 12.4,466 0.477,467 0.589,468 0.023,469 32.25,470 1.24,471 15,472 0.577,473 17.25,474 0.663,475 21.001,476 0.808,477 27.8,478 0.647,479 24.326,480 0.936,481 6.54,482 0.252,483 6.129,484 0.236,485 0.094,487 0.355,493 0.755,494 1.208,495 0.667,496 0.998,497 0.55,498 0.895,499 1.052,500 0.836,501 0.89,502 0.775,503 0.63,504 0.751,505 0.998,506 0.977,507 0.804,508 0.941,509 0.813,510 0.894,511 1.12,512 0.979,513 0.984,514 0.945,515 1.164,516 1.006,517 0.968,518 0.977,519 1.031,520 0.971,521 0.91,522 0.982,523 0.902,524 1.01,525 1.046,526 1.028,527 1.096,528 1.014,529 0.987,530 1.188,531 1.399,532 1.308,533 1.361,534 1.181,535 0.808,536 1.283,537 1.402,538 1.544,539 1.032,540 1.272,541 4.5,542 0.132,543 3.556,544 1.535,545 1.308,546 1.031,547 0.663,548 0.333,549 0.179,550 0.172,551 7886,552 24991,553 2.124,554 39.5,556 16,557 1,564 1.692,565 2,566 3.374,567 -0.722,568 1,569 1,573 71.522,574 1.663,575 3.744,576 4.478,577 4.571,578 4.665,579 4.665,580 2.888,581 4.287,582 4.667,583 3.504,584 1138.77,585 8.096,586 13884.6,588 1,590 1,591 233.329,592 1.37,593 4.637,594 0.155,595 0.009,596 0.087,597 0.036,598 0.034,599 0.03,600 0.021,601 0.011,602 0.007,603 0.01,604 0.4,605 0.33,606 1,607 0.902,608 126.349,609 -0.042,610 -0.162,611 0.071,612 -0.051,613 -0.029,614 -0.01,615 -0.058,616 0.222,617 0.017,618 0.189,619 0.027,620 0.15,621 -0.063,622 0.047,623 0.086,624 0.001,625 -0.001,626 0.036,627 -0.075,628 -0.015,629 -0.073,630 0.008,631 -0.058,632 -0.062,633 -0.05,634 -0.009,635 -0.026,636 0.034,637 -0.086,638 0.018,639 -0.094,640 -0.026,641 -0.038,643 -0.091,644 -0.007,645 -0.06,646 -0.153,647 -0.23,648 -0.177,649 -0.077,650 -0.2,651 0.163,652 -0.253,653 -0.152,654 -0.376,655 -0.009,656 -0.279,657 2.048,658 5.5,659 0.808,660 24.296,661 1.021,662 1.111,663 2.002,664 4.007,665 0.698,666 3.401,667 3.738,668 4.06,669 4.331,670 4.575,671 4.727,672 4.92,673 5.043,674 5.136,675 5.236,676 6.104,677 0.674,678 371.44,679 3.401,680 4.949,681 5.82,682 6.708,683 7.597,684 8.495,685 9.392,686 10.295,687 11.198,688 12.104,689 2.3,692 1,704 5,708 1,709 5,711 11,716 1,721 1,729 1,731 43,733 14,734 1,735 29,737 46,738 19,739 10,740 2,741 4,742 4,746 4,747 5,761 14,762 5,766 3,771 2,773 1,775 3,777 1,778 1,781 17,782 6,784 7,785 1,790 1,794 0.75,795 5,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 1,848 26,854 4,856 3,859 1,865 1,870 11.6,873 2,874 1,875 2,877 13,878 8.2,879 5.75,880 2.507,881 2.62,882 1.343,883 0.99,884 4.894,885 10.264,886 3.651,887 4.216,888 4.817,889 5.372,890 5.845,891 6.256,892 6.693,893 7.047,894 7.39,895 7.723,896 1,897 43,898 9.645,900 4.18,901 7.872,902 18.218,904 15.043,905 2.372,906 61.667,909 1,910 200.109,911 143.885,912 3.124,914 83.29,916 31.278,917 112.608,918 283.398,919 3.124,920 10.883,921 13.396,922 55.03,923 73.615,924 44.739,925 13.13,926 219.615,928 200.109,929 115.732,930 83.29,931 31.278,933 200.109,934 72.29,935 11,937 16.52,938 89.735,939 9.476,940 31.278,941 200.109,942 86.414,943 143.885,946 200.109,947 77.972,948 69.038,950 83.29,951 200.109,952 86.414,953 143.885,955 0.582,956 0.354,957 0.188,958 0.1,959 21,960 9,961 0.087,962 4,963 1,964 1.095,965 3.78,966 226.576,967 0.095,968 21,969 114.211,970 1,974 17.403,975 7.311,976 3.356,978 86.414,979 8.972,983 1.365,984 3.37,987 430.408,988 37.5,993 24.093,995 1.55,997 0.139,999 43.884,1000 47.787,1001 0.307,1002 0.69,1003 0.825,1004 0.842,1005 0.86,1006 0.86,1007 4.903,1008 1.263,1009 5.808,1010 3.738,1011 4.419,1012 4.902,1013 2.417,1014 6.648,1015 4.31,1016 6.101,1017 1.032,1018 7.386,1019 2.983,1020 4.007,1021 4.705,1022 0.325,1023 7.609,1024 3.905,1025 7.413,1026 1,1027 9.066,1028 2.788,1029 6.038,1030 7.055,1031 3.048,1032 10.728,1033 5.85,1034 8.762,1035 1,1036 10.806,1037 2.275,1038 6.479,1039 7.724,1040 0.424,1041 12.524,1042 6.283,1043 10.147,1044 0.809,1045 12.584,1046 2.136,1047 7.959,1048 9.528,1049 3.907,1050 15.156,1051 7.697,1052 11.556,1053 0.213,1054 14.388,1055 2.123,1056 8.779,1057 10.587,1058 0.581,1059 17.288,1060 8.49,1061 12.983,1062 -0.235,1063 16.21,1064 0.288,1065 10.046,1066 12.174,1067 4.867,1068 19.762,1069 9.702,1070 3.244,1071 -0.478,1072 18.046,1073 -0.59,1074 11.041,1075 13.422,1076 0.788,1077 22.044,1078 10.658,1079 2.85,1080 11.298,1081 19.891,1082 -1.204,1083 12.226,1084 14.919,1085 5.868,1086 24.467,1087 11.793,1088 2.736,1089 9.136,1090 21.745,1091 4.284,1092 13.303,1093 16.261,1094 1.027,1095 26.819,1096 12.824,1097 2.496,1098 8.574,1099 23.606,1100 3.75,1101 14.461,1102 17.721,1103 6.887,1104 29.23,1105 13.932,1106 1.924,1107 8.177,1108 25.472,1109 3.362,1110 15.578,1111 19.111,1112 1.284,1113 31.616,1114 14.999,1115 1.819,1116 5.678,1117 27.344,1118 3.044,1119 16.729,1120 20.558,1121 7.913,1122 34.028,1123 16.101,1124 1.453,1125 4.671,1126 29.22,1127 2.559,1128 17.867,1129 21.974,1130 1.553,1131 36.43,1132 17.188,1133 7539,1134 13535,1135 19.592,1136 30.017,1137 44.185,1138 46.291,1139 45.431,1140 43.583,1141 43.677,1142 55.281,1143 8.63,1144 127.73,1145 41.079,1146 5.592,1147 5.653,1148 6.625,1149 5.333,1150 5.244,1151 7.284,1152 3.349,1153 18.663,1154 5.088,1155 11.483,1156 1.524,1157 1.596,1158 1.567,1159 1.503,1160 1.506,1161 1.906,1162 0.298,1163 4.404,1164 1.417,1165 4.048,1166 4.051,1167 4.276,1168 4.031,1169 7.434,1170 3.997,1171 3.855,1172 3.881,1173 3.842,1174 3.772,1175 7.427,1176 3.76,1177 3.729,1178 3.753,1179 3.707,1180 3.566,1181 4.88,1182 3.567,1183 3.426,1184 3.438,1185 3.378,1186 3.25,1187 4.676,1188 3.262,1189 3.294,1190 3.323,1191 3.314,1192 3.083,1193 4.589,1194 3.097,1195 3.111,1196 3.206,1197 2.924,1198 2.941,1199 4.461,1200 2.91,1201 2.968,1202 3.003,1203 2.866,1204 2.792,1205 4.203,1206 2.77,1207 2.881,1208 2.925,1209 2.773,1210 2.735,1211 3.679,1212 2.715,1213 0.158,1214 0.126,1215 0.235,1216 0.145,1217 0.112,1218 4.592,1219 0.148,1220 3.653,1221 0.058,1222 6.823,1223 0.39,1224 4.195,1225 0.106,1226 3.244,1227 4.284,1228 1.674,1229 11.298,1230 3.088,1231 1.933,1232 1.917,1233 2.02,1234 2.019,1235 1.207,1236 2.015,1237 1.773,1238 1.748,1239 1.933,1240 1.976,1241 1.138,1242 1.968,1243 1.577,1244 1.553,1245 1.672,1246 1.754,1247 0.825,1248 1.734,1249 1.396,1250 1.397,1251 1.595,1252 1.611,1253 0.807,1254 1.6,1255 1.211,1256 1.166,1257 1.513,1258 1.381,1259 0.625,1260 1.429,1261 1.153,1262 1.064,1263 1.389,1264 1.376,1265 0.565,1266 1.421,1267 1.012,1268 0.998,1269 1.181,1270 1.156,1271 0.35,1272 1.163,1273 0.886,1274 0.821,1275 1.079,1276 1.083,1277 0.218,1278 1.107,1279 4.078,1281 5.407,1282 2.398,1283 6.944,1284 4.727,1285 8.57,1286 6.862,1287 10.243,1289 1.352,1295 2.629,1297 16.178,1300 2.02,1305 28.997,1306 71.522,1307 161.011,1308 192.574,1309 196.574,1310 200.574,1311 200.574,1312 44.374,1313 7.644,1314 68.98,1315 97.22,1316 23,1317 12.623,1318 3.907,1319 3.248,1320 38.012,1321 93,1322 107,1323 0.2,1324 177.939,1325 318.36,1326 425.93,1327 20979,1329 18.096,1330 0.696,1331 0.577,1332 18.449,1333 15.006,1334 12.669,1335 0.437,1336 0.314,1337 8.151,1338 11.581,1339 7.906,1340 6.473,1341 13.123,1342 9.119,1343 11.236,1344 0.274,1345 0.166,1346 11.761,1347 6.805,1348 10.101,1349 0.177,1350 0.094,1351 10.87,1352 5.346,1353 8.336,1354 0.111,1355 0.052,1356 9.186,1357 3.885,1358 6.665,1359 0.069,1360 0.027,1361 7.387,1362 2.603,1363 0.311,1364 85.217,1365 0.226,1366 24.924,1367 0.561,1368 140,1369 485.183,1370 179.2,1371 468.234,1372 630.86,1373 440,1374 168,1375 435.944,1376 208.051,1377 450.54,1378 667.84,1379 422,1380 6.398}
{0 CHEMBL2326954,1 1.657,2 9.792,3 3.104,4 9.637,5 97.692,6 8.154,7 0.407,8 3.865,9 3.959,10 3.566,11 3.447,12 4.938,13 3.415,14 4.413,15 4.561,16 3.93,17 3.84,18 5.454,19 3.793,20 4.609,21 4.782,22 4.026,23 3.935,24 5.64,25 3.876,26 4.605,27 4.778,28 3.907,29 3.935,30 5.68,31 3.838,32 4.612,33 4.823,34 3.808,35 3.859,36 5.568,37 3.742,38 4.43,39 4.607,40 3.756,41 3.758,42 5.503,43 3.664,44 4.311,45 4.444,46 3.691,47 3.678,48 5.522,49 3.572,50 4.27,51 4.455,52 3.422,53 3.56,54 5.22,55 3.406,56 0.039,57 0.599,58 8.194,59 4.12,60 4.778,61 4.738,62 0.276,63 1.004,64 18.013,65 7.026,66 17.334,67 7.952,68 0.387,69 1.167,70 23.547,71 8.657,72 24.362,73 10.03,74 0.379,75 1.139,76 22.638,77 9.322,78 34.612,79 11.083,80 0.413,81 1.126,82 26.526,83 9.722,84 33.251,85 11.781,86 0.263,87 0.959,88 20.989,89 8.075,90 30.334,91 9.117,92 0.368,93 0.898,94 19.608,95 7.074,96 40.945,97 7.535,98 0.191,99 0.847,100 20.919,101 7.519,102 19.584,103 8.439,104 6,105 38,106 0.29,107 0.662,108 0.791,109 0.807,110 0.807,111 0.807,112 3.229,113 0.978,114 -3.04,115 -3.04,116 -2.93,119 42.9,124 1,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,172 5,174 1,175 4,180 2,183 7,186 1,187 3,192 2,195 6,198 2,199 4,204 1,207 3,211 1,212 6,217 1,220 3,224 4,232 2,236 1,237 5,240 1,242 1,245 2,250 2,263 2,266 2,268 1,275 808,276 16.662,277 16.662,278 16.662,279 16.662,280 16.662,281 15.105,282 19.583,283 9.782,284 17.25,285 13.275,286 13.275,287 13.275,288 13.275,289 13.275,290 10.741,291 26.375,292 4.571,293 14.177,294 3.735,295 1.609,296 0.875,297 0.78,298 0.78,299 0.78,300 3.93,303 1,304 1,305 1,306 516,307 2.236,310 49.386,311 196.7,314 89.45,318 1.476,319 21.505,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 235,332 4.591,333 3.648,334 6.823,335 4.194,336 3.244,337 4.282,338 1.138,339 11.297,340 3.084,341 4.125,342 3.179,343 6.165,344 3.766,345 2.814,346 3.646,347 0.86,348 9.125,349 2.706,350 3.905,351 3.039,352 5.963,353 3.559,354 2.609,355 3.266,356 0.643,357 8.314,358 2.443,359 3.663,360 2.651,361 5.335,362 3.334,363 2.352,364 2.924,365 0.4,366 6.819,367 2.298,368 3.23,369 2.397,370 5.019,371 2.821,372 1.837,373 2.418,375 5.529,376 1.791,377 2.98,378 2.189,379 4.537,380 2.701,381 1.816,382 2,384 4.67,385 1.594,386 2.586,387 1.762,388 4.096,389 2.098,390 1.268,391 1.608,393 3.137,394 1.048,395 2.5,396 1.286,397 3.754,398 2.031,399 1.088,400 1.5,402 2.894,403 1.006,404 2.444,405 1.256,406 3.444,407 2,408 1,409 1.387,411 2.275,412 1,413 2.182,414 1.227,415 3.414,416 1.952,417 1,418 1.071,420 2.153,421 0.946,422 2,423 1,424 3.247,425 1.705,426 0.847,427 1,428 2.136,429 0.704,430 1.652,431 0.747,432 2.824,433 1.403,434 0.47,435 0.537,436 0.738,437 0.436,438 1.228,439 0.414,440 2.695,441 0.706,442 -0.239,443 -0.309,445 -0.574,446 -0.215,447 0.82,448 -0.181,449 2.538,450 0.493,451 -0.485,452 -0.623,454 -1.117,455 -0.471,456 0.536,457 -0.36,458 2.231,459 0.323,460 -0.62,461 -0.702,463 -1.403,464 -0.585,465 11.633,466 0.485,467 0.5,468 0.021,469 30,470 1.25,471 14,472 0.583,473 16,474 0.667,475 19.268,476 0.803,477 25.567,478 0.609,479 20.821,480 0.868,481 5.963,482 0.248,483 5.795,484 0.241,485 0.072,487 0.335,493 0.814,494 1.224,495 0.709,496 0.964,497 0.597,498 0.894,499 1.168,500 0.907,501 0.905,502 0.82,503 0.714,504 0.793,505 1.148,506 0.912,507 0.821,508 0.879,509 0.951,510 0.863,511 0.905,512 1.015,513 0.929,514 1.007,515 0.82,516 1.053,517 0.917,518 0.934,519 0.924,520 0.946,521 0.913,522 0.914,523 1.21,524 0.997,525 1.056,526 1,527 1.695,528 0.945,529 1.183,530 1.283,531 1.554,532 1.421,533 2.051,534 1.288,535 0.886,536 1.361,537 1.556,538 1.589,539 0.989,540 1.379,541 4,542 0.062,543 2.889,544 1.285,545 1.268,546 0.941,547 0.582,548 0.28,549 0.148,550 0.108,551 6304,552 16924,553 2.161,554 42.9,556 16,557 1,559 1,564 1.672,565 2.057,566 3.262,567 -0.301,568 1,569 1,573 69.605,574 1.657,575 3.784,576 4.517,577 4.612,578 4.612,579 4.612,580 2.721,581 4.137,582 4.552,583 3.362,584 927.786,585 7.872,586 10549.1,587 1,588 1,590 1,591 226.477,592 1.281,593 4.532,594 0.148,595 0.007,596 0.076,597 0.033,598 0.036,599 0.03,600 0.019,601 0.011,602 0.008,603 0.008,604 0.377,605 0.5,606 1,607 0.681,608 112.638,609 -0.043,610 -0.132,611 0.075,612 -0.017,613 -0.037,614 0.012,615 -0.115,616 0.173,617 0.017,618 0.138,619 -0.017,620 0.116,621 -0.054,622 0.102,623 0.094,624 0.059,625 -0.034,626 0.07,627 0.072,628 -0.053,629 -0.025,630 -0.046,631 0.084,632 -0.088,633 0.058,634 -0.008,635 0.091,636 0.064,637 -0.005,638 0.096,639 -0.141,640 -0.022,641 -0.017,642 0.037,643 -0.118,644 0.032,645 -0.016,646 -0.21,647 -0.349,648 -0.277,649 -0.126,650 -0.347,651 -0.068,652 -0.347,653 -0.319,654 -0.416,655 -0.118,656 -0.359,657 1.652,658 5.47,659 0.875,660 19.972,661 1.008,662 1.116,663 1.807,664 3.265,665 0.693,666 3.332,667 3.664,668 3.989,669 4.277,670 4.533,671 4.673,672 4.844,673 4.963,674 5.05,675 5.112,676 5.58,677 0.657,678 342.45,679 3.332,680 4.875,681 5.746,682 6.635,683 7.525,684 8.423,685 9.322,686 10.226,687 11.13,688 12.038,689 4.8,692 1,694 1,704 5,708 1,709 5,711 11,716 1,724 1,729 1,731 42,733 13,734 1,735 27,737 45,738 18,739 10,740 2,741 4,742 3,746 4,747 5,761 13,762 5,766 2,771 1,773 1,775 2,777 1,778 1,781 18,782 5,783 1,784 6,785 1,790 2,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 1,848 24,854 4,855 1,856 2,859 1,865 1,870 7.1,873 1,874 1,875 1,877 11.667,878 7.867,879 5.306,880 2.507,881 2.503,882 1.335,883 1.011,884 4.395,885 9.972,886 3.57,887 4.139,888 4.742,889 5.314,890 5.792,891 6.175,892 6.578,893 6.94,894 7.271,895 7.526,896 0.857,897 39,898 8.9,900 3.829,901 7.667,902 17.163,904 14.295,905 2.167,906 52,909 1,910 200.109,911 133.778,912 21.135,914 47.145,916 31.278,917 102.501,918 247.253,919 21.135,920 8.396,921 13.396,922 55.03,923 59.289,924 33.31,925 13.13,926 219.615,928 200.109,929 123.636,930 47.145,931 31.278,933 200.109,934 36.145,935 11,937 16.52,938 79.628,939 27.487,940 31.278,941 200.109,942 68.28,943 133.778,946 200.109,947 70.352,948 66.551,949 18.011,950 47.145,951 200.109,952 68.28,953 133.778,955 0.579,956 0.351,957 0.192,958 0.105,959 20,960 8,961 0.067,962 3,963 1,964 1.095,965 3.629,966 204.616,967 0.095,968 21,969 102.039,970 1,974 15.817,975 6.668,976 3.026,978 68.28,979 10.099,983 1.436,984 4.395,986 18.011,987 402.167,988 34.5,993 12.47,995 1.595,997 0.642,999 42.331,1000 46.866,1001 0.307,1002 0.702,1003 0.838,1004 0.855,1005 0.855,1006 0.855,1007 4.818,1008 1.088,1009 5.727,1010 3.137,1011 4.344,1012 4.824,1013 1.779,1014 6.561,1015 4.226,1016 6.009,1017 1,1018 7.296,1019 2.894,1020 3.892,1021 4.59,1022 0.325,1023 7.506,1024 3.768,1025 7.317,1026 1,1027 8.968,1028 2.275,1029 5.953,1030 6.978,1031 1.685,1032 10.633,1033 5.745,1034 8.663,1035 0.847,1036 10.702,1037 2.153,1038 6.365,1039 7.619,1040 0.424,1041 12.429,1042 6.135,1043 10.045,1044 0.47,1045 12.476,1046 2.136,1047 7.864,1048 9.448,1049 1.734,1050 15.071,1051 7.568,1052 11.452,1053 -0.239,1054 14.277,1055 0.738,1056 8.67,1057 10.492,1058 0.581,1059 17.214,1060 8.337,1061 12.877,1062 -0.485,1063 16.098,1064 -0.574,1065 9.949,1066 12.094,1067 1.843,1068 19.698,1069 9.56,1070 3.244,1071 -0.62,1072 17.934,1073 -1.117,1074 10.94,1075 13.336,1076 0.788,1077 21.991,1078 10.505,1079 2.814,1080 11.297,1081 19.781,1082 -1.403,1083 12.134,1084 14.843,1085 1.986,1086 24.424,1087 11.647,1088 2.609,1089 9.125,1090 21.638,1091 4.282,1092 13.213,1093 16.184,1094 1.027,1095 26.784,1096 12.676,1097 2.352,1098 8.314,1099 23.503,1100 3.646,1101 14.378,1102 17.652,1103 2.153,1104 29.202,1105 13.791,1106 1.837,1107 6.819,1108 25.374,1109 3.266,1110 15.5,1111 19.044,1112 1.284,1113 31.594,1114 14.861,1115 1.816,1116 5.529,1117 27.251,1118 2.924,1119 16.658,1120 20.497,1121 2.337,1122 34.01,1123 15.969,1124 1.268,1125 4.67,1126 29.133,1127 2.418,1128 17.801,1129 21.916,1130 1.553,1131 36.417,1132 17.06,1133 5979,1134 9933,1135 18.493,1136 29.114,1137 41.047,1138 42.04,1139 41.685,1140 40.636,1141 40.691,1142 51.278,1143 6.081,1144 118.174,1145 38.114,1146 5.591,1147 5.648,1148 6.625,1149 5.332,1150 5.244,1151 7.282,1152 2.22,1153 18.661,1154 5.084,1155 8.802,1156 1.52,1157 1.557,1158 1.544,1159 1.505,1160 1.507,1161 1.899,1162 0.225,1163 4.377,1164 1.412,1165 4.045,1166 4.051,1167 4.276,1168 4.028,1169 7.428,1170 3.992,1171 3.846,1172 3.882,1173 3.814,1174 3.755,1175 4.889,1176 3.743,1177 3.724,1178 3.755,1179 3.706,1180 3.565,1181 4.711,1182 3.563,1183 3.386,1184 3.442,1185 3.371,1186 3.242,1187 4.594,1188 3.244,1189 3.244,1190 3.305,1191 3.157,1192 3.045,1193 4.265,1194 3.027,1195 3.111,1196 3.206,1197 2.881,1198 2.941,1199 4.086,1200 2.91,1201 2.919,1202 2.935,1203 2.866,1204 2.735,1205 3.678,1206 2.715,1207 2.854,1208 2.925,1209 2.693,1210 2.688,1211 3.674,1212 2.69,1213 0.17,1214 0.135,1215 0.253,1216 0.155,1217 0.12,1218 4.591,1219 0.159,1220 3.648,1221 0.042,1222 6.823,1223 0.418,1224 4.194,1225 0.114,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.084,1231 1.926,1232 1.904,1233 2.023,1234 2.021,1235 1.207,1236 2.02,1237 1.772,1238 1.746,1239 1.933,1240 1.977,1241 1.136,1242 1.969,1243 1.577,1244 1.552,1245 1.687,1246 1.755,1247 0.825,1248 1.737,1249 1.401,1250 1.372,1251 1.623,1252 1.596,1253 0.811,1254 1.62,1255 1.201,1256 1.124,1257 1.513,1258 1.376,1259 0.692,1260 1.429,1261 1.153,1262 1.064,1263 1.357,1264 1.336,1265 0.547,1266 1.384,1267 1,1268 0.984,1269 1.181,1270 1.151,1271 0.347,1272 1.152,1273 0.886,1274 0.821,1275 1.079,1276 1.062,1277 0.218,1278 1.107,1279 4.007,1281 5.333,1282 2.398,1283 6.868,1284 4.727,1285 8.494,1286 6.862,1287 10.169,1289 1.892,1295 2.795,1296 3.109,1297 11.503,1300 2.065,1305 27.589,1306 69.605,1307 158.914,1308 189.722,1309 193.722,1310 193.722,1311 193.722,1312 34.181,1313 7.469,1314 54.71,1315 82.95,1316 23,1317 12.556,1318 3.807,1319 3.087,1320 33.768,1321 78,1322 95,1323 0.212,1324 170.075,1325 297.12,1326 406.744,1327 16705,1329 16.518,1330 0.688,1331 0.591,1332 16.872,1333 14.189,1334 11.758,1335 0.435,1336 0.326,1337 7.865,1338 10.805,1339 7.614,1340 6.251,1341 12.212,1342 8.803,1343 10.365,1344 0.273,1345 0.173,1346 10.889,1347 6.563,1348 9.304,1349 0.176,1350 0.098,1351 10.074,1352 5.214,1353 7.885,1354 0.111,1355 0.053,1356 8.735,1357 3.798,1358 6.392,1359 0.069,1360 0.028,1361 7.114,1362 2.55,1363 0.325,1364 78.618,1365 0.233,1366 23.144,1367 0.605,1368 130,1369 392.045,1370 165.385,1371 389.342,1372 535.94,1373 368,1374 156,1375 379.171,1376 192.732,1377 394.561,1378 586,1379 372,1380 7.252}
{0 CHEMBL2326955,1 1.694,2 13.065,3 2.93,4 8.584,5 118.597,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.203,13 3.635,14 4.572,15 4.697,16 4.154,17 4.039,18 5.724,19 4.009,20 4.796,21 4.957,22 4.242,23 4.126,24 5.932,25 4.087,26 4.799,27 4.97,28 4.149,29 4.1,30 6.01,31 4.037,32 4.764,33 4.946,34 4.076,35 4.053,36 5.887,37 3.981,38 4.649,39 4.8,40 4.018,41 4.026,42 5.815,43 3.952,44 4.617,45 4.774,46 3.948,47 3.976,48 5.798,49 3.876,50 4.539,51 4.732,52 3.738,53 3.841,54 5.55,55 3.718,56 0.081,57 0.707,58 7.99,59 4.571,60 8.553,61 4.908,62 0.367,63 1.18,64 17.597,65 7.814,66 25.192,67 8.216,68 0.509,69 1.424,70 25.121,71 9.996,72 40.265,73 10.78,74 0.619,75 1.4,76 25.799,77 10.548,78 59.66,79 11.819,80 0.579,81 1.33,82 28.097,83 10.725,84 56.959,85 12.005,86 0.403,87 1.205,88 22.342,89 9.484,90 52.24,91 9.979,92 0.474,93 1.221,94 23.714,95 9.305,96 51.744,97 9.977,98 0.307,99 1.113,100 25.102,101 9.437,102 31.099,103 10.568,104 5,105 49,106 0.281,107 0.652,108 0.789,109 0.833,110 0.843,111 0.843,112 3.472,113 0.923,114 -3,115 -3,116 -2.89,119 46,125 4,135 1,139 1,142 6,143 3,144 2,145 2,151 1,152 1,157 1,158 1,172 7,174 1,175 7,178 1,180 3,183 8,186 1,187 5,192 3,195 6,198 3,199 7,202 1,204 2,207 5,211 1,212 8,217 1,220 7,224 7,232 7,236 1,237 8,240 1,242 1,245 6,250 3,258 2,262 1,263 5,266 2,268 1,271 2,275 1657,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.734,284 22.032,285 17.308,286 17.308,287 17.308,288 17.308,289 17.308,290 13.572,291 27.067,292 6.08,293 18.256,294 3.95,295 1.71,296 0.885,297 0.615,298 0.56,299 0.56,300 4.184,304 1,305 1,306 902,307 2.915,310 71.423,311 391.292,314 130.26,318 2.067,319 33.73,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 405,332 4.591,333 3.648,334 6.823,335 4.194,336 3.244,337 4.282,338 1.138,339 11.297,340 3.085,341 4.19,342 3.571,343 6.166,344 3.838,345 2.851,346 3.721,347 1.058,348 9.127,349 2.819,350 4.098,351 3.179,352 6.051,353 3.747,354 2.789,355 3.604,356 0.86,357 8.695,358 2.692,359 3.891,360 3.036,361 5.961,362 3.542,363 2.583,364 3.264,365 0.643,366 8.303,367 2.433,368 3.66,369 2.598,370 5.342,371 3.308,372 2.323,373 2.935,375 6.873,376 2.279,377 3.295,378 2.386,379 5.028,380 2.852,381 1.866,382 2.539,384 5.567,385 1.823,386 3.152,387 2.201,388 4.537,389 2.702,390 1.819,391 2.352,393 4.67,394 1.651,395 2.979,396 2.134,397 4.224,398 2.67,399 1.686,400 1.999,402 3.949,403 1.594,404 2.594,405 1.761,406 4.06,407 2.105,408 1.268,409 1.614,411 3.125,412 1.076,413 2.552,414 1.324,415 3.754,416 2.064,417 1.11,418 1.514,420 2.896,421 1.024,422 2.5,423 1.277,424 3.449,425 2,426 1,427 1.5,428 2.45,429 1,430 2.5,431 1.256,432 3.438,433 1.971,434 1,435 1.5,436 2.275,437 0.961,438 2.424,439 1.205,440 3.414,441 1.952,442 1,443 1.353,445 2.136,446 0.946,447 2.18,448 1,449 3.247,450 1.952,451 1,452 1.061,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.689,460 0.817,461 1,463 2.134,464 0.689,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.155,476 0.779,477 31.933,478 0.639,479 32.152,480 1.037,481 8.404,482 0.271,483 6.782,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.551,498 0.84,499 1.014,500 0.999,501 0.912,502 0.896,503 0.647,504 0.863,505 1.13,506 1.008,507 0.868,508 0.946,509 0.934,510 0.927,511 1.006,512 0.913,513 0.938,514 0.938,515 0.972,516 0.977,517 1.095,518 0.91,519 0.981,520 0.928,521 1.116,522 0.896,523 1.204,524 1.026,525 1.143,526 1.048,527 1.473,528 1.05,529 0.919,530 1.17,531 1.394,532 1.302,533 1.228,534 1.238,535 0.788,536 1.166,537 1.385,538 1.397,539 0.783,540 1.233,541 5,542 0.131,543 3.556,544 1.722,545 1.619,546 1.149,547 0.622,548 0.36,549 0.247,550 0.183,551 14538,552 42678,553 2.18,554 38,556 15,557 1,558 2,559 1,564 1.734,565 2.09,566 3.654,567 -0.329,569 1,573 84.685,574 1.694,575 3.934,576 4.759,577 5.029,578 5.084,579 5.084,580 3.127,581 4.414,582 4.923,583 3.822,584 1777.17,585 8.585,586 25609.4,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.005,596 0.073,597 0.034,598 0.035,599 0.027,600 0.015,601 0.01,602 0.009,603 0.007,604 0.358,605 0.33,606 0.88,607 0.415,608 162.385,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.034,614 0.011,615 -0.068,616 0.061,617 -0.035,618 0.049,619 -0.006,620 0.016,621 -0.089,622 -0.002,623 0.047,624 -0.009,625 -0.048,626 0.004,627 0.05,628 0.058,629 0.004,630 0.019,631 0.069,632 -0.016,633 -0.04,634 0.029,635 0.052,636 0.091,637 -0.05,638 0.113,639 -0.198,640 -0.06,641 -0.152,642 -0.029,643 -0.193,644 -0.088,645 -0.015,646 -0.148,647 -0.277,648 -0.215,649 -0.099,650 -0.264,651 -0.035,652 -0.183,653 -0.191,654 -0.262,655 -0.047,656 -0.178,657 1.886,658 5.637,659 0.871,660 35.299,661 1.015,662 1.111,663 1.767,664 3.121,665 0.711,666 3.584,667 3.912,668 4.22,669 4.5,670 4.745,671 4.844,672 5.03,673 5.176,674 5.298,675 5.403,676 7.519,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.876,683 7.757,684 8.647,685 9.535,686 10.43,687 11.325,688 12.224,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.946,881 3.491,882 1.423,883 1.022,884 5.64,885 11.735,886 3.861,887 4.434,888 5.02,889 5.583,890 6.065,891 6.363,892 6.787,893 7.167,894 7.538,895 7.863,896 0.889,897 50,898 11.492,900 5.015,901 7.801,902 21.789,904 18.142,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 73.983,923 111.456,924 54.591,925 13.13,926 207.844,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 52.626,938 98.075,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 78.242,948 95.202,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.58,956 0.345,957 0.19,958 0.103,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.344,966 286.913,967 0.074,968 27,969 145.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 15.981,980 3.966,983 1.377,984 4.123,986 18.011,987 492.41,988 46.5,993 24.952,995 1.561,997 0.308,999 50.76,1000 55.574,1001 0.3,1002 0.697,1003 0.843,1004 0.891,1005 0.901,1006 0.901,1007 5.101,1008 1.686,1009 5.969,1010 4.67,1011 4.595,1012 5.121,1013 2.06,1014 6.786,1015 4.5,1016 6.294,1017 1.268,1018 7.527,1019 3.949,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.021,1025 7.594,1026 1.11,1027 9.188,1028 3.125,1029 6.188,1030 7.262,1031 2.061,1032 10.814,1033 6.019,1034 8.931,1035 1,1036 10.911,1037 2.896,1038 6.567,1039 7.825,1040 0.424,1041 12.575,1042 6.391,1043 10.302,1044 1,1045 12.675,1046 2.45,1047 8.079,1048 9.702,1049 2.136,1050 15.207,1051 7.838,1052 11.698,1053 1,1054 14.466,1055 2.275,1056 8.856,1057 10.677,1058 0.581,1059 17.321,1060 8.592,1061 13.113,1062 1,1063 16.278,1064 2.136,1065 10.138,1066 12.31,1067 2.247,1068 19.792,1069 9.819,1070 3.244,1071 0.817,1072 18.104,1073 2.136,1074 11.106,1075 13.497,1076 0.788,1077 22.064,1078 10.751,1079 2.851,1080 11.297,1081 19.942,1082 2.134,1083 12.296,1084 15.019,1085 2.381,1086 24.485,1087 11.891,1088 2.789,1089 9.127,1090 21.79,1091 4.282,1092 13.357,1093 16.32,1094 1.027,1095 26.832,1096 12.907,1097 2.583,1098 8.695,1099 23.645,1100 3.721,1101 14.514,1102 17.792,1103 2.531,1104 29.241,1105 14.015,1106 2.323,1107 8.303,1108 25.506,1109 3.604,1110 15.621,1111 19.156,1112 1.284,1113 31.624,1114 15.072,1115 1.866,1116 6.873,1117 27.373,1118 3.264,1119 16.77,1120 20.606,1121 2.693,1122 34.034,1123 16.171,1124 1.819,1125 5.567,1126 29.246,1127 2.935,1128 17.901,1129 22.005,1130 1.553,1131 36.435,1132 17.25,1133 13381,1134 23082,1135 24.156,1136 35.574,1137 53.401,1138 55.09,1139 53.482,1140 52.628,1141 52.709,1142 68.477,1143 7.398,1144 151.266,1145 50.035,1146 5.591,1147 5.648,1148 6.625,1149 5.332,1150 5.244,1151 7.282,1152 2.22,1153 18.662,1154 5.085,1155 10.308,1156 1.526,1157 1.574,1158 1.528,1159 1.504,1160 1.506,1161 1.956,1162 0.211,1163 4.322,1164 1.43,1165 4.051,1166 4.06,1167 4.276,1168 4.03,1169 7.431,1170 3.996,1171 3.897,1172 3.925,1173 3.88,1174 3.796,1175 7.427,1176 3.797,1177 3.826,1178 3.866,1179 3.765,1180 3.726,1181 4.902,1182 3.723,1183 3.714,1184 3.742,1185 3.703,1186 3.562,1187 4.863,1188 3.559,1189 3.375,1190 3.399,1191 3.371,1192 3.24,1193 4.694,1194 3.242,1195 3.245,1196 3.269,1197 3.247,1198 3.05,1199 4.589,1200 3.071,1201 3.111,1202 3.206,1203 2.937,1204 2.941,1205 4.23,1206 2.91,1207 2.926,1208 2.94,1209 2.866,1210 2.755,1211 3.871,1212 2.742,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.591,1219 0.122,1220 3.648,1221 0.033,1222 6.823,1223 0.323,1224 4.194,1225 0.088,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.085,1231 1.933,1232 1.911,1233 2.023,1234 2.033,1235 1.207,1236 2.029,1237 1.829,1238 1.799,1239 1.938,1240 1.99,1241 1.134,1242 1.975,1243 1.77,1244 1.743,1245 1.928,1246 1.936,1247 0.96,1248 1.938,1249 1.575,1250 1.551,1251 1.668,1252 1.75,1253 0.825,1254 1.731,1255 1.368,1256 1.357,1257 1.513,1258 1.499,1259 0.804,1260 1.492,1261 1.153,1262 1.102,1263 1.419,1264 1.376,1265 0.608,1266 1.429,1267 1.126,1268 1.064,1269 1.254,1270 1.305,1271 0.352,1272 1.315,1273 0.999,1274 0.988,1275 1.181,1276 1.151,1277 0.277,1278 1.151,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.728,1286 6.862,1287 10.387,1295 2.618,1296 2.861,1297 11.555,1300 2.031,1305 34.325,1306 84.685,1307 196.709,1308 237.928,1309 251.438,1310 254.193,1311 254.193,1312 51.587,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.748,1318 4.392,1319 3.644,1320 43.816,1321 139,1322 144,1323 0.152,1324 209.725,1325 369.59,1326 503.488,1327 48473,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.807,1338 14.113,1339 9.573,1340 7.838,1341 15.641,1342 10.767,1343 13.568,1344 0.277,1345 0.163,1346 14.092,1347 8.009,1348 11.887,1349 0.177,1350 0.091,1351 12.656,1352 6.107,1353 10.134,1354 0.114,1355 0.05,1356 10.984,1357 4.415,1358 8.254,1359 0.072,1360 0.026,1361 8.976,1362 2.974,1363 0.242,1364 100.116,1365 0.203,1366 29.409,1367 0.406,1368 168,1369 535.426,1370 207.653,1371 527.745,1372 719.55,1373 496,1374 200,1375 509.765,1376 240.89,1377 526.377,1378 776.8,1379 496,1380 7.276}
{0 CHEMBL2326956,1 1.69,2 9.92,3 2.9,4 8.411,5 94.257,6 8.935,7 0.393,8 3.836,9 3.903,10 3.596,11 3.429,12 5.026,13 3.419,14 4.366,15 4.474,16 3.982,17 3.826,18 5.628,19 3.801,20 4.584,21 4.729,22 4.074,23 3.916,24 5.759,25 3.884,26 4.59,27 4.736,28 3.964,29 3.892,30 5.835,31 3.832,32 4.556,33 4.737,34 3.837,35 3.803,36 5.653,37 3.722,38 4.368,39 4.517,40 3.78,41 3.733,42 5.529,43 3.66,44 4.295,45 4.405,46 3.743,47 3.668,48 5.624,49 3.588,50 4.256,51 4.401,52 3.637,53 3.489,54 5.541,55 3.404,56 0.13,57 0.529,58 6.167,59 3.942,60 14.235,61 3.88,62 0.448,63 0.906,64 14.321,65 6.711,66 43.489,67 6.625,68 0.54,69 1.098,70 20.246,71 8.432,72 41.509,73 8.614,74 0.613,75 1.068,76 20.393,77 8.961,78 55.127,79 9.364,80 0.647,81 1.048,82 24.128,83 8.986,84 63.294,85 9.725,86 0.399,87 0.883,88 17.846,89 7.567,90 47.139,91 7.727,92 0.427,93 0.835,94 16.951,95 7.176,96 48.181,97 6.562,98 0.517,99 0.791,100 20.211,101 7.102,102 48.376,103 6.933,104 11,105 40,106 0.297,107 0.68,108 0.778,109 0.795,110 0.813,111 0.813,112 3.268,113 0.935,114 -3,115 -3,116 -2.89,119 45,125 4,135 1,139 1,142 4,143 3,144 1,151 1,152 1,157 1,158 1,167 1,170 1,172 7,173 1,174 1,175 5,178 1,180 1,183 9,184 2,186 1,187 5,192 2,195 7,196 2,198 2,199 6,204 2,207 4,208 1,211 1,212 7,217 1,220 3,221 1,224 6,229 1,232 3,236 1,237 5,238 1,245 2,246 1,249 1,250 5,253 1,255 1,258 1,263 2,264 2,272 1,275 905,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 15.298,282 15.536,283 9.919,284 17.509,285 13.815,286 13.815,287 13.815,288 13.815,289 13.815,290 11.081,291 18.026,292 4.691,293 14.632,294 3.632,295 1.457,296 0.9,297 0.8,298 0.7,299 0.7,300 3.965,303 1,304 1,305 1,306 541,307 2.646,310 52.668,311 209.05,314 95.51,318 1.53,319 33.717,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 55.5,331 248,332 4.592,333 3.648,334 6.823,335 4.195,336 3.244,337 4.284,338 1.437,339 11.298,340 3.088,341 4.183,342 3.576,343 6.168,344 3.812,345 2.838,346 3.741,347 1.138,348 9.132,349 2.779,350 4.005,351 3.178,352 5.988,353 3.668,354 2.713,355 3.354,356 0.86,357 8.41,358 2.594,359 3.765,360 3.03,361 5.877,362 3.465,363 2.482,364 3.034,365 0.643,366 7.996,367 2.39,368 3.332,369 2.475,370 5.073,371 2.901,372 1.903,373 2.541,375 5.65,376 1.879,377 2.986,378 2.308,379 4.537,380 2.701,381 1.819,382 2.009,384 4.671,385 1.594,386 2.802,387 1.92,388 4.167,389 2.315,390 1.329,391 1.82,393 3.411,394 1.29,395 2.568,396 1.746,397 3.754,398 2.083,399 1.252,400 1.574,402 2.939,403 1.027,404 2.5,405 1.269,406 3.706,407 2,408 1,409 1.5,411 2.583,412 1,413 2.388,414 1.256,415 3.443,416 1.952,417 1,418 1.307,420 2.275,421 0.946,422 2.176,423 1.144,424 3.414,425 1.936,426 1,427 1.045,428 2.136,429 0.92,430 2,431 1,432 3.247,433 1.674,434 0.788,435 1,436 2.098,437 0.675,438 1.252,439 0.476,440 2.702,441 0.727,442 -0.223,443 -0.29,445 -0.568,446 -0.202,447 0.945,448 0.403,449 2.627,450 0.534,451 -0.463,452 -0.614,454 -1.184,455 -0.455,456 0.555,457 -0.176,458 2.323,459 0.341,460 -0.608,461 -0.694,463 -1.433,464 -0.578,465 11.9,466 0.476,467 0.627,468 0.025,469 31.5,470 1.26,471 15,472 0.6,473 16.5,474 0.66,475 19.699,476 0.788,477 26.5,478 0.663,479 23.332,480 0.933,481 6.313,482 0.253,483 5.818,484 0.233,485 0.084,487 0.37,493 0.791,494 1.114,495 0.671,496 0.908,497 0.649,498 0.829,499 0.882,500 0.918,501 0.879,502 0.855,503 0.497,504 0.822,505 0.991,506 0.94,507 0.82,508 0.912,509 0.756,510 0.895,511 0.973,512 1.012,513 0.953,514 0.978,515 0.88,516 1.038,517 0.973,518 0.914,519 1.009,520 0.914,521 0.884,522 0.917,523 0.983,524 0.995,525 1.089,526 1.022,527 1.03,528 0.987,529 1.058,530 1.278,531 1.535,532 1.418,533 1.314,534 1.294,535 0.801,536 1.3,537 1.435,538 1.575,539 1.041,540 1.319,541 4.5,542 0.107,543 3.333,544 1.535,545 1.308,546 1.004,547 0.623,548 0.333,549 0.179,550 0.147,551 7039,552 23554,553 2.13,554 37.5,556 13,557 1,559 1,564 1.682,565 2,566 3.29,567 -0.277,568 1,569 1,571 1,573 67.605,574 1.69,575 3.865,576 4.422,577 4.522,578 4.622,579 4.622,580 2.744,581 4.084,582 4.611,583 3.425,584 1027.58,585 7.987,586 12100.4,587 1,588 1,589 1,590 1,591 212.877,592 1.388,593 4.579,594 0.161,595 0.009,596 0.083,597 0.037,598 0.035,599 0.031,600 0.02,601 0.012,602 0.008,603 0.01,604 0.407,605 0.5,606 1,607 0.739,608 119.383,609 -0.081,610 -0.086,611 0.046,612 0.018,613 -0.068,614 0.028,615 -0.015,616 0.141,617 -0.013,618 0.1,619 0.116,620 0.065,621 -0.08,622 0.072,623 0.073,624 0.021,625 -0.023,626 0.042,627 -0.026,628 -0.057,629 -0.042,630 -0.026,631 -0.009,632 -0.075,633 -0.046,634 0.045,635 0.034,636 0.098,637 -0.079,638 0.111,639 -0.135,640 -0.006,641 -0.067,642 0.016,643 -0.096,644 0.003,645 -0.11,646 -0.235,647 -0.373,648 -0.278,649 -0.117,650 -0.352,651 0.158,652 -0.281,653 -0.165,654 -0.406,655 -0.006,656 -0.309,657 2.636,658 5.445,659 0.84,660 21.68,661 1.025,662 1.109,663 1.769,664 3.131,665 0.706,666 3.367,667 3.714,668 4.025,669 4.304,670 4.554,671 4.71,672 4.89,673 5.004,674 5.1,675 5.193,676 5.821,677 0.687,678 357.41,679 3.367,680 4.92,681 5.79,682 6.681,683 7.57,684 8.469,685 9.367,686 10.271,687 11.174,688 12.082,689 2.5,692 1,704 5,708 1,709 5,711 11,716 1,720 1,729 1,731 40,733 14,734 1,735 28,737 43,738 18,739 10,740 2,741 4,742 4,746 4,747 5,761 14,762 4,766 3,771 2,773 1,775 3,777 1,778 1,781 15,782 6,783 1,784 7,785 1,790 1,794 0.75,795 5,811 1,812 3,815 1,831 1,836 1,838 1,839 1,840 3,842 1,848 25,853 1,854 4,856 2,859 1,865 1,870 12.5,872 1,873 2,874 1,875 1,877 12.5,878 7.233,879 5.417,880 2.349,881 2.616,882 1.346,883 0.983,884 4.417,885 10.176,886 3.624,887 4.201,888 4.793,889 5.357,890 5.832,891 6.242,892 6.672,893 7.016,894 7.365,895 7.691,896 0.857,897 41,898 9.28,900 4.099,901 7.987,902 17.384,904 14.567,905 2.487,906 62.167,909 1,910 164.795,911 126.721,912 3.124,914 114.973,916 31.278,917 95.443,918 279.768,919 3.124,921 13.396,922 55.03,923 110.016,924 33.739,925 13.13,926 184.302,928 164.795,929 98.567,930 114.973,931 31.278,933 164.795,934 103.973,935 11,937 16.52,938 72.571,939 9.476,940 31.278,941 164.795,942 118.097,943 126.721,946 164.795,947 71.69,948 58.155,950 114.973,951 164.795,952 118.097,953 126.721,955 0.588,956 0.349,957 0.186,958 0.101,959 21,960 9,961 0.07,962 3,963 1,964 1.095,965 3.688,966 216.151,967 0.095,968 21,969 106.096,970 1,974 16.455,975 6.711,976 3.128,978 118.097,979 8.42,983 1.335,984 2.942,986 42.683,987 409.613,988 36.5,993 23.447,995 1.529,997 -0.494,999 41,1000 44.372,1001 0.318,1002 0.726,1003 0.831,1004 0.85,1005 0.868,1006 0.868,1007 4.881,1008 1.252,1009 5.784,1010 3.411,1011 4.394,1012 4.887,1013 2.276,1014 6.624,1015 4.293,1016 6.085,1017 1,1018 7.362,1019 2.939,1020 4.007,1021 4.705,1022 0.325,1023 7.585,1024 3.905,1025 7.399,1026 1,1027 9.042,1028 2.583,1029 6.014,1030 7.043,1031 2.629,1032 10.702,1033 5.835,1034 8.748,1035 1,1036 10.783,1037 2.275,1038 6.463,1039 7.715,1040 0.424,1041 12.498,1042 6.271,1043 10.133,1044 0.788,1045 12.561,1046 2.136,1047 7.937,1048 9.519,1049 3.146,1050 15.13,1051 7.683,1052 11.541,1053 -0.223,1054 14.365,1055 2.098,1056 8.76,1057 10.578,1058 0.581,1059 17.265,1060 8.475,1061 12.968,1062 -0.463,1063 16.187,1064 -0.568,1065 10.025,1066 12.166,1067 3.752,1068 19.74,1069 9.687,1070 3.244,1071 -0.608,1072 18.022,1073 -1.184,1074 11.021,1075 13.414,1076 0.788,1077 22.025,1078 10.642,1079 2.838,1080 11.298,1081 19.868,1082 -1.433,1083 12.206,1084 14.911,1085 4.409,1086 24.451,1087 11.777,1088 2.713,1089 9.132,1090 21.722,1091 4.284,1092 13.284,1093 16.253,1094 1.027,1095 26.805,1096 12.807,1097 2.482,1098 8.41,1099 23.582,1100 3.741,1101 14.442,1102 17.714,1103 5.095,1104 29.219,1105 13.916,1106 1.903,1107 7.996,1108 25.449,1109 3.354,1110 15.56,1111 19.104,1112 1.284,1113 31.606,1114 14.983,1115 1.819,1116 5.65,1117 27.321,1118 3.034,1119 16.712,1120 20.552,1121 5.798,1122 34.02,1123 16.085,1124 1.329,1125 4.671,1126 29.198,1127 2.541,1128 17.851,1129 21.968,1130 1.553,1131 36.424,1132 17.172,1133 6707,1134 12382,1135 18.898,1136 28.256,1137 43.308,1138 44.556,1139 43.823,1140 42.692,1141 42.736,1142 54.417,1143 8.155,1144 125.195,1145 40.368,1146 5.592,1147 5.648,1148 6.625,1149 5.333,1150 5.244,1151 7.284,1152 2.873,1153 18.663,1154 5.088,1155 11.135,1156 1.547,1157 1.591,1158 1.565,1159 1.525,1160 1.526,1161 1.943,1162 0.291,1163 4.471,1164 1.442,1165 4.047,1166 4.05,1167 4.276,1168 4.031,1169 7.475,1170 3.996,1171 3.852,1172 3.88,1173 3.837,1174 3.771,1175 7.428,1176 3.758,1177 3.727,1178 3.751,1179 3.707,1180 3.566,1181 6.351,1182 3.566,1183 3.385,1184 3.389,1185 3.374,1186 3.246,1187 4.877,1188 3.253,1189 3.195,1190 3.206,1191 3.249,1192 2.994,1193 4.66,1194 3.008,1195 3.111,1196 3.185,1197 2.883,1198 2.941,1199 4.576,1200 2.91,1201 2.91,1202 2.925,1203 2.866,1204 2.735,1205 4.207,1206 2.715,1207 2.854,1208 2.922,1209 2.687,1210 2.594,1211 3.679,1212 2.651,1213 0.164,1214 0.13,1215 0.244,1216 0.15,1217 0.116,1218 4.592,1219 0.153,1220 3.648,1221 0.051,1222 6.823,1223 0.403,1224 4.195,1225 0.11,1226 3.244,1227 4.284,1228 1.437,1229 11.298,1230 3.088,1231 1.932,1232 1.916,1233 2.019,1234 2.017,1235 1.207,1236 2.013,1237 1.772,1238 1.748,1239 1.933,1240 1.974,1241 1.136,1242 1.967,1243 1.577,1244 1.553,1245 1.669,1246 1.752,1247 0.825,1248 1.732,1249 1.38,1250 1.383,1251 1.513,1252 1.495,1253 0.806,1254 1.481,1255 1.153,1256 1.064,1257 1.409,1258 1.376,1259 0.609,1260 1.429,1261 1.041,1262 1.046,1263 1.181,1264 1.255,1265 0.35,1266 1.24,1267 0.932,1268 0.925,1269 1.094,1270 1.149,1271 0.218,1272 1.14,1273 0.886,1274 0.821,1275 1.079,1276 1.062,1277 0.159,1278 1.107,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.727,1285 8.546,1286 6.862,1287 10.22,1294 9.022,1295 2.576,1297 11.39,1300 1.999,1305 27.47,1306 67.605,1307 154.612,1308 176.877,1309 180.877,1310 184.877,1311 184.877,1312 44.662,1313 7.56,1314 79.98,1315 108.22,1316 23,1317 12.6,1318 3.907,1319 3.248,1320 35.86,1321 85,1322 90,1323 0.207,1324 168.346,1325 301.06,1326 402.525,1327 18758,1329 17.389,1330 0.696,1331 0.562,1332 17.742,1333 14.045,1334 12.131,1335 0.433,1336 0.312,1337 7.789,1338 11.121,1339 7.598,1340 6.184,1341 12.585,1342 8.73,1343 11.095,1344 0.277,1345 0.165,1346 11.619,1347 6.618,1348 9.595,1349 0.174,1350 0.094,1351 10.364,1352 5.172,1353 8.1,1354 0.111,1355 0.052,1356 8.951,1357 3.774,1358 6.486,1359 0.069,1360 0.027,1361 7.208,1362 2.538,1363 0.318,1364 81.451,1365 0.23,1366 24.016,1367 0.584,1368 136,1369 469.597,1370 174.425,1371 458.154,1372 614.1,1373 428,1374 163,1375 424.429,1376 201.722,1377 437.843,1378 649.6,1379 412,1380 7.097}
{0 CHEMBL2326957,1 1.694,2 12.226,3 2.93,4 8.584,5 118.597,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.203,13 3.635,14 4.572,15 4.697,16 4.154,17 4.039,18 5.724,19 4.009,20 4.796,21 4.957,22 4.242,23 4.126,24 5.93,25 4.087,26 4.799,27 4.97,28 4.165,29 4.103,30 6.009,31 4.043,32 4.769,33 4.944,34 4.112,35 4.074,36 5.895,37 4.01,38 4.69,39 4.837,40 4.131,41 4.081,42 5.882,43 4.016,44 4.699,45 4.85,46 4.029,47 4.064,48 5.885,49 3.966,50 4.595,51 4.762,52 3.948,53 3.931,54 5.75,55 3.832,56 0.081,57 0.707,58 7.99,59 4.571,60 8.553,61 4.908,62 0.367,63 1.18,64 17.597,65 7.814,66 25.195,67 8.216,68 0.509,69 1.424,70 25.121,71 9.996,72 40.304,73 10.78,74 0.615,75 1.401,76 25.869,77 10.558,78 59.626,79 11.858,80 0.58,81 1.35,82 27.59,83 10.548,84 55.856,85 11.665,86 0.423,87 1.274,88 22.298,89 9.543,90 49.758,91 10.259,92 0.509,93 1.302,94 27.565,95 10.685,96 58.877,97 10.854,98 0.427,99 1.181,100 24.662,101 9.646,102 39.398,103 10.718,104 5,105 49,106 0.281,107 0.652,108 0.804,109 0.863,110 0.869,111 0.869,112 3.472,113 0.923,114 -3,115 -3,116 -2.89,119 46,125 4,135 1,139 1,142 6,143 3,144 2,145 2,151 1,152 1,157 1,158 1,172 7,174 1,175 7,178 1,180 3,183 8,186 1,187 5,192 3,195 5,198 3,199 7,202 1,204 3,207 6,211 1,212 7,220 6,224 9,227 1,229 1,232 9,236 1,237 5,245 5,249 1,250 8,253 2,255 1,258 4,263 3,271 1,275 1648,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.774,284 22.032,285 17.325,286 17.325,287 17.325,288 17.325,289 17.325,290 13.578,291 27.067,292 6.108,293 18.272,294 3.95,295 1.71,296 0.79,297 0.44,298 0.4,299 0.4,300 4.184,304 1,305 1,306 842,307 2.915,310 66.19,311 372.856,314 121.377,318 1.911,319 34.255,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 379,332 4.594,333 3.648,334 6.825,335 4.197,336 3.246,337 4.287,338 1.138,339 11.308,340 3.09,341 4.201,342 3.571,343 6.174,344 3.848,345 2.865,346 3.734,347 1.058,348 9.163,349 2.823,350 4.1,351 3.179,352 6.054,353 3.746,354 2.783,355 3.614,356 0.86,357 8.716,358 2.698,359 3.895,360 3.043,361 5.968,362 3.55,363 2.595,364 3.251,365 0.643,366 8.353,367 2.436,368 3.622,369 2.615,370 5.371,371 3.271,372 2.283,373 2.883,375 6.879,376 2.246,377 3.283,378 2.373,379 4.966,380 2.828,381 1.845,382 2.536,384 5.415,385 1.799,386 3.115,387 2.189,388 4.537,389 2.701,390 1.818,391 2.297,393 4.67,394 1.628,395 2.977,396 2.082,397 4.225,398 2.647,399 1.663,400 2,402 3.936,403 1.593,404 2.711,405 1.757,406 4.027,407 2.244,408 1.281,409 1.792,411 3.129,412 1.236,413 2.565,414 1.34,415 3.754,416 2.083,417 1.239,418 1.578,420 2.911,421 1.027,422 2.534,423 1.323,424 3.493,425 2.005,426 1,427 1.5,428 2.516,429 0.998,430 2.5,431 1.259,432 3.442,433 1.954,434 1,435 1.474,436 2.381,437 0.951,438 2.373,439 1.256,440 3.421,441 1.952,442 1,443 1.304,445 2.136,446 0.946,447 2.173,448 1.015,449 3.247,450 1.93,451 1,452 1.039,454 2.136,455 0.917,456 2,457 1,458 3.247,459 1.667,460 0.778,461 1,463 2.088,464 0.669,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.434,476 0.788,477 31.933,478 0.639,479 32.54,480 1.05,481 8.404,482 0.271,483 6.782,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.551,498 0.84,499 1.014,500 0.999,501 0.912,502 0.896,503 0.646,504 0.863,505 1.13,506 1.008,507 0.868,508 0.946,509 0.939,510 0.927,511 0.996,512 0.925,513 0.911,514 0.926,515 0.961,516 0.951,517 1.121,518 0.926,519 0.986,520 0.92,521 1.133,522 0.887,523 1.097,524 1.029,525 1.028,526 1.028,527 1.376,528 1.021,529 1.113,530 1.12,531 1.529,532 1.315,533 1.372,534 1.185,535 0.637,536 1.184,537 1.25,538 1.405,539 0.82,540 1.238,541 5,542 0.147,543 3.333,544 1.847,545 1.539,546 1.069,547 0.614,548 0.418,549 0.254,550 0.161,551 13778,552 40374,553 2.18,554 38,556 15,557 1,558 2,559 1,564 1.738,565 2.09,566 3.586,567 -0.329,569 1,573 84.685,574 1.694,575 3.934,576 4.854,577 5.204,578 5.244,579 5.244,580 3.06,581 4.478,582 4.924,583 3.722,584 1730.91,585 8.608,586 24436.7,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.006,596 0.068,597 0.037,598 0.033,599 0.024,600 0.014,601 0.01,602 0.007,603 0.006,604 0.347,605 0.33,606 0.88,607 0.415,608 160.884,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.034,614 0.011,615 -0.068,616 0.061,617 -0.035,618 0.049,619 -0.005,620 0.016,621 -0.089,622 -0.002,623 0.047,624 -0.009,625 -0.053,626 0.004,627 0.06,628 0.046,629 0.031,630 0.032,631 0.08,632 0.011,633 -0.059,634 0.03,635 0.031,636 0.088,637 -0.073,638 0.103,639 -0.11,640 -0.048,641 -0.061,642 -0.025,643 -0.141,644 -0.072,645 -0.119,646 -0.111,647 -0.324,648 -0.167,649 -0.135,650 -0.2,651 0.175,652 -0.191,653 -0.109,654 -0.297,655 0.063,656 -0.224,657 1.901,658 5.686,659 0.871,660 32.381,661 1.015,662 1.111,663 1.767,664 3.121,665 0.711,666 3.584,667 3.912,668 4.22,669 4.511,670 4.754,671 4.86,672 5.043,673 5.198,674 5.303,675 5.421,676 7.069,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.878,683 7.759,684 8.652,685 9.541,686 10.439,687 11.334,688 12.236,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.946,881 3.559,882 1.432,883 1.022,884 5.64,885 11.803,886 3.861,887 4.434,888 5.02,889 5.591,890 6.07,891 6.372,892 6.79,893 7.182,894 7.519,895 7.873,896 1,897 50,898 11.498,900 5.023,901 7.801,902 21.789,904 18.142,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 73.983,923 111.456,924 54.591,925 13.13,926 207.844,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 52.626,938 98.075,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 78.242,948 95.202,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.579,956 0.344,957 0.192,958 0.105,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.288,966 290.803,967 0.074,968 27,969 149.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 15.979,980 3.981,983 1.362,984 3.959,986 18.011,987 492.41,988 46.5,993 25.15,995 1.554,997 0.267,999 50.76,1000 55.574,1001 0.3,1002 0.697,1003 0.86,1004 0.922,1005 0.929,1006 0.929,1007 5.101,1008 1.663,1009 5.969,1010 4.67,1011 4.595,1012 5.121,1013 2.06,1014 6.788,1015 4.5,1016 6.294,1017 1.281,1018 7.527,1019 3.936,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.021,1025 7.594,1026 1.239,1027 9.188,1028 3.129,1029 6.188,1030 7.262,1031 2.061,1032 10.823,1033 6.019,1034 8.931,1035 1,1036 10.912,1037 2.911,1038 6.567,1039 7.825,1040 0.424,1041 12.581,1042 6.391,1043 10.302,1044 1,1045 12.677,1046 2.516,1047 8.081,1048 9.704,1049 2.136,1050 15.219,1051 7.84,1052 11.699,1053 1,1054 14.469,1055 2.381,1056 8.86,1057 10.682,1058 0.581,1059 17.332,1060 8.596,1061 13.115,1062 1,1063 16.282,1064 2.136,1065 10.143,1066 12.316,1067 2.247,1068 19.806,1069 9.826,1070 3.246,1071 0.778,1072 18.109,1073 2.136,1074 11.114,1075 13.507,1076 0.788,1077 22.078,1078 10.76,1079 2.865,1080 11.308,1081 19.948,1082 2.088,1083 12.305,1084 15.029,1085 2.381,1086 24.5,1087 11.902,1088 2.783,1089 9.163,1090 21.796,1091 4.287,1092 13.368,1093 16.334,1094 1.027,1095 26.847,1096 12.921,1097 2.595,1098 8.716,1099 23.651,1100 3.734,1101 14.526,1102 17.806,1103 2.531,1104 29.257,1105 14.031,1106 2.283,1107 8.353,1108 25.513,1109 3.614,1110 15.634,1111 19.172,1112 1.284,1113 31.639,1114 15.091,1115 1.845,1116 6.879,1117 27.381,1118 3.251,1119 16.784,1120 20.624,1121 2.693,1122 34.05,1123 16.192,1124 1.818,1125 5.415,1126 29.254,1127 2.883,1128 17.917,1129 22.024,1130 1.553,1131 36.452,1132 17.273,1133 12719,1134 21930,1135 24.156,1136 35.574,1137 53.43,1138 55.093,1139 53.502,1140 52.706,1141 52.791,1142 68.577,1143 7.398,1144 151.472,1145 50.113,1146 5.594,1147 5.648,1148 6.627,1149 5.335,1150 5.246,1151 7.287,1152 2.22,1153 18.689,1154 5.09,1155 10.186,1156 1.527,1157 1.574,1158 1.529,1159 1.506,1160 1.508,1161 1.959,1162 0.211,1163 4.328,1164 1.432,1165 4.052,1166 4.061,1167 4.277,1168 4.031,1169 7.431,1170 3.997,1171 3.895,1172 3.923,1173 3.879,1174 3.795,1175 7.427,1176 3.795,1177 3.826,1178 3.866,1179 3.765,1180 3.727,1181 4.902,1182 3.723,1183 3.713,1184 3.741,1185 3.703,1186 3.562,1187 4.862,1188 3.559,1189 3.365,1190 3.389,1191 3.371,1192 3.237,1193 4.694,1194 3.236,1195 3.266,1196 3.297,1197 3.243,1198 3.058,1199 4.589,1200 3.086,1201 3.111,1202 3.206,1203 2.95,1204 2.941,1205 4.226,1206 2.91,1207 2.931,1208 2.948,1209 2.866,1210 2.774,1211 3.919,1212 2.75,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.594,1219 0.122,1220 3.648,1221 0.033,1222 6.825,1223 0.323,1224 4.197,1225 0.088,1226 3.246,1227 4.287,1228 1.138,1229 11.308,1230 3.09,1231 1.933,1232 1.911,1233 2.023,1234 2.034,1235 1.207,1236 2.029,1237 1.829,1238 1.799,1239 1.938,1240 1.99,1241 1.136,1242 1.975,1243 1.77,1244 1.743,1245 1.928,1246 1.935,1247 0.959,1248 1.938,1249 1.575,1250 1.551,1251 1.669,1252 1.749,1253 0.825,1254 1.731,1255 1.358,1256 1.349,1257 1.513,1258 1.486,1259 0.804,1260 1.476,1261 1.16,1262 1.126,1263 1.41,1264 1.376,1265 0.604,1266 1.429,1267 1.153,1268 1.064,1269 1.314,1270 1.349,1271 0.351,1272 1.364,1273 1.007,1274 0.997,1275 1.108,1276 1.153,1277 0.314,1278 1.156,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.729,1286 6.862,1287 10.39,1295 2.585,1296 2.893,1297 11.579,1300 2.024,1305 34.325,1306 84.685,1307 196.709,1308 242.683,1309 260.193,1310 262.193,1311 262.193,1312 52.119,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.758,1318 4.392,1319 3.644,1320 43.619,1321 130,1322 137,1323 0.161,1324 209.725,1325 369.59,1326 503.488,1327 48473,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.807,1338 14.113,1339 9.573,1340 7.84,1341 15.641,1342 10.767,1343 13.58,1344 0.277,1345 0.164,1346 14.104,1347 8.012,1348 11.819,1349 0.176,1350 0.091,1351 12.588,1352 6.084,1353 10.218,1354 0.114,1355 0.049,1356 11.068,1357 4.446,1358 8.268,1359 0.072,1360 0.026,1361 8.982,1362 2.982,1363 0.253,1364 100.116,1365 0.203,1366 29.115,1367 0.442,1368 168,1369 535.426,1370 207.653,1371 527.81,1372 719.57,1373 496,1374 200,1375 509.765,1376 240.89,1377 526.513,1378 777.06,1379 496,1380 4.62}
{0 CHEMBL2326958,1 1.694,2 12.226,3 2.93,4 8.584,5 118.597,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.203,13 3.635,14 4.572,15 4.697,16 4.154,17 4.039,18 5.725,19 4.009,20 4.796,21 4.957,22 4.239,23 4.13,24 5.926,25 4.09,26 4.797,27 4.962,28 4.162,29 4.109,30 5.99,31 4.05,32 4.789,33 4.968,34 4.118,35 4.078,36 5.937,37 4.013,38 4.685,39 4.835,40 4.127,41 4.087,42 5.859,43 4.018,44 4.697,45 4.843,46 4.03,47 4.073,48 5.884,49 3.972,50 4.614,51 4.79,52 3.948,53 3.934,54 5.759,55 3.834,56 0.081,57 0.707,58 7.99,59 4.571,60 8.553,61 4.908,62 0.367,63 1.18,64 17.597,65 7.814,66 25.248,67 8.216,68 0.516,69 1.423,70 25.181,71 9.987,72 40.874,73 10.754,74 0.544,75 1.385,76 25.404,77 10.622,78 52.578,79 11.862,80 0.666,81 1.38,82 28.516,83 10.731,84 66.082,85 11.908,86 0.403,87 1.267,88 22.269,89 9.626,90 46.333,91 10.502,92 0.485,93 1.291,94 27.123,95 10.805,96 56.865,97 11.013,98 0.447,99 1.206,100 25.582,101 9.798,102 41.463,103 10.974,104 5,105 49,106 0.281,107 0.652,108 0.798,109 0.843,110 0.843,111 0.843,112 3.472,113 0.923,114 -3,115 -3,116 -2.89,119 46,125 4,135 1,139 1,142 6,143 3,144 2,145 2,151 1,152 1,157 1,158 1,172 7,174 1,175 7,178 1,180 3,183 8,186 1,187 6,192 4,195 5,198 2,199 6,204 2,207 6,211 2,212 7,215 1,220 8,224 7,227 1,229 1,232 9,236 1,237 5,245 5,249 1,250 8,253 2,255 1,258 2,263 6,271 2,275 1648,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.774,284 22.04,285 17.325,286 17.325,287 17.325,288 17.325,289 17.325,290 13.578,291 27.067,292 6.108,293 18.278,294 3.95,295 1.71,296 0.83,297 0.56,298 0.56,299 0.56,300 4.184,304 1,305 1,306 842,307 2.915,310 66.19,311 372.856,314 121.377,318 1.911,319 34.216,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 379,332 4.594,333 3.648,334 6.825,335 4.197,336 3.246,337 4.287,338 1.138,339 11.308,340 3.09,341 4.201,342 3.571,343 6.174,344 3.849,345 2.865,346 3.734,347 1.058,348 9.163,349 2.828,350 4.1,351 3.179,352 6.054,353 3.746,354 2.783,355 3.614,356 0.86,357 8.716,358 2.699,359 3.895,360 3.043,361 5.968,362 3.551,363 2.595,364 3.251,365 0.643,366 8.353,367 2.436,368 3.622,369 2.615,370 5.371,371 3.272,372 2.283,373 2.883,375 6.879,376 2.247,377 3.283,378 2.373,379 4.966,380 2.826,381 1.845,382 2.536,384 5.415,385 1.796,386 3.115,387 2.189,388 4.537,389 2.701,390 1.818,391 2.297,393 4.67,394 1.616,395 2.977,396 2.082,397 4.225,398 2.64,399 1.663,400 2,402 3.936,403 1.592,404 2.711,405 1.757,406 4.027,407 2.241,408 1.281,409 1.792,411 3.129,412 1.232,413 2.565,414 1.34,415 3.754,416 2.083,417 1.239,418 1.578,420 2.911,421 1.027,422 2.534,423 1.323,424 3.493,425 1.986,426 1,427 1.5,428 2.516,429 0.983,430 2.5,431 1.259,432 3.442,433 1.984,434 1,435 1.474,436 2.381,437 0.977,438 2.373,439 1.256,440 3.421,441 1.952,442 1,443 1.304,445 2.136,446 0.946,447 2.173,448 1.015,449 3.247,450 1.93,451 1,452 1.039,454 2.136,455 0.917,456 2,457 1,458 3.247,459 1.667,460 0.778,461 1,463 2.088,464 0.669,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.448,476 0.789,477 31.933,478 0.639,479 32.526,480 1.049,481 8.405,482 0.271,483 6.782,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.551,498 0.84,499 1.014,500 0.999,501 0.912,502 0.896,503 0.644,504 0.863,505 1.137,506 0.968,507 0.872,508 0.927,509 0.943,510 0.914,511 1.03,512 1.02,513 0.919,514 0.977,515 0.985,516 0.988,517 1.109,518 0.841,519 0.989,520 0.882,521 1.182,522 0.872,523 1.024,524 0.998,525 1.004,526 1.021,527 1.266,528 1.01,529 1.078,530 1.163,531 1.532,532 1.362,533 1.356,534 1.23,535 0.644,536 1.146,537 1.23,538 1.361,539 0.812,540 1.2,541 5,542 0.147,543 3.333,544 1.847,545 1.539,546 1.069,547 0.614,548 0.418,549 0.254,550 0.161,551 13778,552 40570,553 2.18,554 38,556 15,557 1,558 2,559 1,564 1.738,565 2.09,566 3.586,567 -0.329,569 1,573 84.685,574 1.694,575 3.934,576 4.814,577 5.084,578 5.084,579 5.084,580 3.06,581 4.478,582 4.924,583 3.722,584 1730.91,585 8.608,586 24436.7,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.006,596 0.068,597 0.037,598 0.033,599 0.024,600 0.014,601 0.01,602 0.007,603 0.006,604 0.347,605 0.33,606 0.88,607 0.415,608 160.884,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.034,614 0.011,615 -0.068,616 0.061,617 -0.035,618 0.049,619 -0.003,620 0.016,621 -0.096,622 0.039,623 0.042,624 0.011,625 -0.057,626 0.017,627 0.008,628 -0.064,629 0.014,630 -0.015,631 0.046,632 -0.023,633 -0.013,634 0.12,635 0.034,636 0.123,637 -0.056,638 0.117,639 -0.084,640 -0.023,641 -0.038,642 -0.012,643 -0.114,644 -0.05,645 -0.103,646 -0.168,647 -0.335,648 -0.209,649 -0.129,650 -0.241,651 0.171,652 -0.149,653 -0.083,654 -0.257,655 0.067,656 -0.18,657 1.879,658 5.687,659 0.871,660 32.381,661 1.015,662 1.111,663 1.767,664 3.121,665 0.711,666 3.584,667 3.912,668 4.22,669 4.511,670 4.754,671 4.86,672 5.043,673 5.198,674 5.303,675 5.421,676 7.069,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.878,683 7.759,684 8.652,685 9.541,686 10.439,687 11.334,688 12.236,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.946,881 3.559,882 1.432,883 1.022,884 5.64,885 11.803,886 3.861,887 4.434,888 5.02,889 5.591,890 6.07,891 6.372,892 6.79,893 7.182,894 7.519,895 7.873,896 1,897 50,898 11.497,900 5.021,901 7.801,902 21.789,904 18.142,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 73.983,923 111.456,924 54.591,925 13.13,926 207.844,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 52.626,938 98.075,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 78.242,948 95.202,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.579,956 0.344,957 0.192,958 0.105,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.288,966 290.803,967 0.074,968 27,969 145.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 15.904,980 3.934,983 1.364,984 4.024,986 18.011,987 492.41,988 46.5,993 25.163,995 1.555,997 0.291,999 50.76,1000 55.574,1001 0.3,1002 0.697,1003 0.853,1004 0.901,1005 0.901,1006 0.901,1007 5.101,1008 1.663,1009 5.969,1010 4.67,1011 4.595,1012 5.121,1013 2.06,1014 6.788,1015 4.5,1016 6.294,1017 1.281,1018 7.527,1019 3.936,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.021,1025 7.594,1026 1.239,1027 9.188,1028 3.129,1029 6.188,1030 7.262,1031 2.061,1032 10.823,1033 6.02,1034 8.931,1035 1,1036 10.912,1037 2.911,1038 6.567,1039 7.825,1040 0.424,1041 12.581,1042 6.393,1043 10.302,1044 1,1045 12.677,1046 2.516,1047 8.081,1048 9.704,1049 2.136,1050 15.219,1051 7.842,1052 11.699,1053 1,1054 14.469,1055 2.381,1056 8.86,1057 10.682,1058 0.581,1059 17.332,1060 8.599,1061 13.115,1062 1,1063 16.282,1064 2.136,1065 10.143,1066 12.316,1067 2.247,1068 19.806,1069 9.829,1070 3.246,1071 0.778,1072 18.109,1073 2.136,1074 11.114,1075 13.507,1076 0.788,1077 22.078,1078 10.764,1079 2.865,1080 11.308,1081 19.948,1082 2.088,1083 12.305,1084 15.029,1085 2.381,1086 24.5,1087 11.906,1088 2.783,1089 9.163,1090 21.796,1091 4.287,1092 13.368,1093 16.334,1094 1.027,1095 26.847,1096 12.926,1097 2.595,1098 8.716,1099 23.651,1100 3.734,1101 14.526,1102 17.806,1103 2.531,1104 29.257,1105 14.036,1106 2.283,1107 8.353,1108 25.513,1109 3.614,1110 15.634,1111 19.172,1112 1.284,1113 31.639,1114 15.096,1115 1.845,1116 6.879,1117 27.381,1118 3.251,1119 16.784,1120 20.624,1121 2.693,1122 34.05,1123 16.197,1124 1.818,1125 5.415,1126 29.254,1127 2.883,1128 17.917,1129 22.024,1130 1.553,1131 36.452,1132 17.278,1133 12719,1134 21980,1135 24.156,1136 35.574,1137 53.43,1138 55.093,1139 53.502,1140 52.709,1141 52.791,1142 68.577,1143 7.398,1144 151.472,1145 50.109,1146 5.594,1147 5.648,1148 6.627,1149 5.335,1150 5.246,1151 7.287,1152 2.22,1153 18.689,1154 5.09,1155 10.186,1156 1.527,1157 1.574,1158 1.529,1159 1.506,1160 1.508,1161 1.959,1162 0.211,1163 4.328,1164 1.432,1165 4.052,1166 4.061,1167 4.277,1168 4.031,1169 7.431,1170 3.997,1171 3.896,1172 3.923,1173 3.88,1174 3.798,1175 7.427,1176 3.798,1177 3.826,1178 3.865,1179 3.766,1180 3.727,1181 4.904,1182 3.723,1183 3.713,1184 3.741,1185 3.703,1186 3.562,1187 4.865,1188 3.559,1189 3.363,1190 3.386,1191 3.37,1192 3.236,1193 4.694,1194 3.235,1195 3.254,1196 3.289,1197 3.234,1198 3.012,1199 4.589,1200 3.05,1201 3.111,1202 3.206,1203 2.948,1204 2.941,1205 4.226,1206 2.91,1207 2.931,1208 2.948,1209 2.866,1210 2.772,1211 3.93,1212 2.748,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.594,1219 0.122,1220 3.648,1221 0.033,1222 6.825,1223 0.323,1224 4.197,1225 0.088,1226 3.246,1227 4.287,1228 1.138,1229 11.308,1230 3.09,1231 1.934,1232 1.912,1233 2.023,1234 2.034,1235 1.207,1236 2.029,1237 1.83,1238 1.8,1239 1.938,1240 1.99,1241 1.136,1242 1.975,1243 1.77,1244 1.743,1245 1.927,1246 1.935,1247 0.964,1248 1.938,1249 1.575,1250 1.551,1251 1.668,1252 1.749,1253 0.825,1254 1.731,1255 1.356,1256 1.348,1257 1.513,1258 1.48,1259 0.804,1260 1.471,1261 1.153,1262 1.086,1263 1.406,1264 1.376,1265 0.603,1266 1.429,1267 1.126,1268 1.064,1269 1.281,1270 1.345,1271 0.35,1272 1.352,1273 1.007,1274 0.995,1275 1.181,1276 1.153,1277 0.265,1278 1.156,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.729,1286 6.862,1287 10.39,1295 2.587,1296 2.905,1297 11.581,1300 2.025,1305 34.325,1306 84.685,1307 196.709,1308 240.683,1309 254.193,1310 254.193,1311 254.193,1312 51.944,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.758,1318 4.392,1319 3.644,1320 43.619,1321 130,1322 137,1323 0.161,1324 209.725,1325 369.59,1326 503.488,1327 48473,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.807,1338 14.11,1339 9.574,1340 7.838,1341 15.641,1342 10.767,1343 13.58,1344 0.277,1345 0.163,1346 14.104,1347 8.006,1348 11.819,1349 0.176,1350 0.091,1351 12.588,1352 6.103,1353 10.218,1354 0.114,1355 0.049,1356 11.068,1357 4.453,1358 8.268,1359 0.072,1360 0.026,1361 8.982,1362 2.976,1363 0.253,1364 100.116,1365 0.203,1366 29.115,1367 0.442,1368 168,1369 535.426,1370 207.653,1371 527.679,1372 719.53,1373 496,1374 200,1375 509.765,1376 240.723,1377 526.217,1378 776.62,1379 496,1380 4.854}
{0 CHEMBL2326959,1 1.694,2 13.065,3 2.93,4 8.584,5 118.597,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.203,13 3.635,14 4.572,15 4.697,16 4.154,17 4.039,18 5.725,19 4.009,20 4.796,21 4.957,22 4.239,23 4.13,24 5.928,25 4.09,26 4.796,27 4.962,28 4.146,29 4.107,30 5.991,31 4.043,32 4.784,33 4.97,34 4.082,35 4.058,36 5.93,37 3.984,38 4.644,39 4.797,40 4.013,41 4.032,42 5.79,43 3.954,44 4.615,45 4.766,46 3.949,47 3.985,48 5.796,49 3.882,50 4.56,51 4.759,52 3.743,53 3.839,54 5.567,55 3.716,56 0.081,57 0.707,58 7.99,59 4.571,60 8.553,61 4.908,62 0.367,63 1.18,64 17.597,65 7.814,66 25.245,67 8.216,68 0.516,69 1.423,70 25.181,71 9.987,72 40.835,73 10.754,74 0.548,75 1.383,76 25.334,77 10.612,78 52.612,79 11.824,80 0.665,81 1.36,82 29.022,83 10.908,84 67.185,85 12.248,86 0.384,87 1.198,88 22.314,89 9.567,90 48.815,91 10.222,92 0.451,93 1.21,94 23.272,95 9.425,96 49.679,97 10.135,98 0.32,99 1.139,100 25.962,101 9.598,102 32.647,103 10.85,104 5,105 49,106 0.281,107 0.652,108 0.785,109 0.816,110 0.816,111 0.816,112 3.472,113 0.923,114 -3,115 -3,116 -2.89,119 46,125 4,135 1,139 1,142 6,143 3,144 2,145 2,151 1,152 1,157 1,158 1,172 7,174 1,175 7,178 1,180 3,183 8,186 1,187 6,192 4,195 6,198 2,199 6,204 1,207 5,211 2,212 8,215 1,217 1,220 9,224 5,232 7,236 1,237 8,240 1,242 1,245 5,250 4,258 2,262 1,263 5,266 2,268 1,271 1,275 1657,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.734,284 22.04,285 17.308,286 17.308,287 17.308,288 17.308,289 17.308,290 13.572,291 27.067,292 6.08,293 18.262,294 3.95,295 1.71,296 0.91,297 0.72,298 0.72,299 0.72,300 4.184,304 1,305 1,306 902,307 2.915,310 71.423,311 391.292,314 130.26,318 2.067,319 33.697,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 405,332 4.591,333 3.648,334 6.823,335 4.194,336 3.244,337 4.282,338 1.138,339 11.297,340 3.085,341 4.19,342 3.571,343 6.166,344 3.839,345 2.851,346 3.721,347 1.058,348 9.127,349 2.824,350 4.098,351 3.179,352 6.051,353 3.747,354 2.789,355 3.604,356 0.86,357 8.695,358 2.693,359 3.891,360 3.036,361 5.961,362 3.542,363 2.583,364 3.264,365 0.643,366 8.303,367 2.433,368 3.66,369 2.598,370 5.342,371 3.309,372 2.323,373 2.935,375 6.873,376 2.28,377 3.295,378 2.386,379 5.028,380 2.851,381 1.866,382 2.539,384 5.567,385 1.822,386 3.152,387 2.201,388 4.537,389 2.701,390 1.819,391 2.352,393 4.67,394 1.637,395 2.979,396 2.134,397 4.224,398 2.662,399 1.686,400 1.999,402 3.949,403 1.594,404 2.594,405 1.761,406 4.06,407 2.101,408 1.268,409 1.614,411 3.125,412 1.064,413 2.552,414 1.324,415 3.754,416 2.056,417 1.11,418 1.514,420 2.896,421 1.021,422 2.5,423 1.277,424 3.449,425 2,426 1,427 1.5,428 2.45,429 1,430 2.5,431 1.256,432 3.438,433 1.984,434 1,435 1.5,436 2.275,437 0.983,438 2.424,439 1.205,440 3.414,441 1.96,442 1,443 1.353,445 2.136,446 0.947,447 2.18,448 1,449 3.247,450 1.952,451 1,452 1.061,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.689,460 0.817,461 1,463 2.134,464 0.688,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.168,476 0.78,477 31.933,478 0.639,479 32.139,480 1.037,481 8.405,482 0.271,483 6.782,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.551,498 0.84,499 1.014,500 0.999,501 0.912,502 0.896,503 0.645,504 0.863,505 1.137,506 0.968,507 0.872,508 0.927,509 0.938,510 0.914,511 1.039,512 1.009,513 0.947,514 0.99,515 0.997,516 1.014,517 1.082,518 0.824,519 0.984,520 0.89,521 1.165,522 0.88,523 1.128,524 0.994,525 1.117,526 1.041,527 1.358,528 1.039,529 0.881,530 1.216,531 1.397,532 1.353,533 1.213,534 1.286,535 0.783,536 1.176,537 1.356,538 1.374,539 0.768,540 1.209,541 5,542 0.131,543 3.556,544 1.722,545 1.619,546 1.149,547 0.622,548 0.36,549 0.247,550 0.183,551 14538,552 42874,553 2.18,554 38,556 15,557 1,558 2,559 1,564 1.734,565 2.09,566 3.654,567 -0.329,569 1,573 84.685,574 1.694,575 3.934,576 4.734,577 4.924,578 4.924,579 4.924,580 3.127,581 4.414,582 4.923,583 3.822,584 1777.17,585 8.585,586 25609.4,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.005,596 0.073,597 0.034,598 0.035,599 0.027,600 0.015,601 0.01,602 0.009,603 0.007,604 0.358,605 0.33,606 0.88,607 0.415,608 162.385,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.034,614 0.011,615 -0.068,616 0.061,617 -0.035,618 0.049,619 -0.003,620 0.016,621 -0.096,622 0.039,623 0.042,624 0.011,625 -0.052,626 0.017,627 -0.002,628 -0.052,629 -0.013,630 -0.028,631 0.034,632 -0.05,633 0.006,634 0.119,635 0.055,636 0.126,637 -0.034,638 0.127,639 -0.171,640 -0.034,641 -0.127,642 -0.016,643 -0.165,644 -0.066,645 0.003,646 -0.21,647 -0.29,648 -0.26,649 -0.095,650 -0.309,651 -0.027,652 -0.191,653 -0.157,654 -0.245,655 -0.033,656 -0.149,657 1.864,658 5.638,659 0.871,660 35.299,661 1.015,662 1.111,663 1.767,664 3.121,665 0.711,666 3.584,667 3.912,668 4.22,669 4.5,670 4.745,671 4.844,672 5.03,673 5.176,674 5.298,675 5.403,676 7.519,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.876,683 7.757,684 8.647,685 9.535,686 10.43,687 11.325,688 12.224,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.946,881 3.491,882 1.423,883 1.022,884 5.64,885 11.735,886 3.861,887 4.434,888 5.02,889 5.583,890 6.065,891 6.363,892 6.787,893 7.167,894 7.538,895 7.863,896 0.889,897 50,898 11.491,900 5.014,901 7.801,902 21.789,904 18.142,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 73.983,923 111.456,924 54.591,925 13.13,926 207.844,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 52.626,938 98.075,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 78.242,948 95.202,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.58,956 0.345,957 0.19,958 0.103,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.344,966 286.913,967 0.074,968 27,969 141.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 15.908,980 3.922,983 1.378,984 4.185,986 18.011,987 492.41,988 46.5,993 24.965,995 1.561,997 0.333,999 50.76,1000 55.574,1001 0.3,1002 0.697,1003 0.839,1004 0.872,1005 0.872,1006 0.872,1007 5.101,1008 1.686,1009 5.969,1010 4.67,1011 4.595,1012 5.121,1013 2.06,1014 6.786,1015 4.5,1016 6.294,1017 1.268,1018 7.527,1019 3.949,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.021,1025 7.594,1026 1.11,1027 9.188,1028 3.125,1029 6.188,1030 7.262,1031 2.061,1032 10.814,1033 6.02,1034 8.931,1035 1,1036 10.911,1037 2.896,1038 6.567,1039 7.825,1040 0.424,1041 12.575,1042 6.393,1043 10.302,1044 1,1045 12.675,1046 2.45,1047 8.079,1048 9.702,1049 2.136,1050 15.207,1051 7.84,1052 11.698,1053 1,1054 14.466,1055 2.275,1056 8.856,1057 10.677,1058 0.581,1059 17.321,1060 8.595,1061 13.113,1062 1,1063 16.278,1064 2.136,1065 10.138,1066 12.31,1067 2.247,1068 19.792,1069 9.822,1070 3.244,1071 0.817,1072 18.104,1073 2.136,1074 11.106,1075 13.497,1076 0.788,1077 22.064,1078 10.755,1079 2.851,1080 11.297,1081 19.942,1082 2.134,1083 12.296,1084 15.019,1085 2.381,1086 24.485,1087 11.895,1088 2.789,1089 9.127,1090 21.79,1091 4.282,1092 13.357,1093 16.32,1094 1.027,1095 26.832,1096 12.912,1097 2.583,1098 8.695,1099 23.645,1100 3.721,1101 14.514,1102 17.792,1103 2.531,1104 29.241,1105 14.019,1106 2.323,1107 8.303,1108 25.506,1109 3.604,1110 15.621,1111 19.156,1112 1.284,1113 31.624,1114 15.077,1115 1.866,1116 6.873,1117 27.373,1118 3.264,1119 16.77,1120 20.606,1121 2.693,1122 34.034,1123 16.176,1124 1.819,1125 5.567,1126 29.246,1127 2.935,1128 17.901,1129 22.005,1130 1.553,1131 36.435,1132 17.256,1133 13381,1134 23132,1135 24.156,1136 35.574,1137 53.401,1138 55.09,1139 53.482,1140 52.631,1141 52.709,1142 68.477,1143 7.398,1144 151.266,1145 50.031,1146 5.591,1147 5.648,1148 6.625,1149 5.332,1150 5.244,1151 7.282,1152 2.22,1153 18.662,1154 5.085,1155 10.308,1156 1.526,1157 1.574,1158 1.528,1159 1.504,1160 1.506,1161 1.956,1162 0.211,1163 4.322,1164 1.429,1165 4.051,1166 4.06,1167 4.276,1168 4.03,1169 7.431,1170 3.996,1171 3.898,1172 3.925,1173 3.881,1174 3.799,1175 7.427,1176 3.799,1177 3.825,1178 3.865,1179 3.766,1180 3.727,1181 4.904,1182 3.723,1183 3.713,1184 3.742,1185 3.703,1186 3.562,1187 4.866,1188 3.559,1189 3.372,1190 3.396,1191 3.371,1192 3.239,1193 4.694,1194 3.24,1195 3.231,1196 3.26,1197 3.239,1198 3.003,1199 4.589,1200 3.034,1201 3.111,1202 3.206,1203 2.933,1204 2.941,1205 4.23,1206 2.91,1207 2.923,1208 2.936,1209 2.866,1210 2.735,1211 3.882,1212 2.718,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.591,1219 0.122,1220 3.648,1221 0.033,1222 6.823,1223 0.323,1224 4.194,1225 0.088,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.085,1231 1.933,1232 1.911,1233 2.023,1234 2.033,1235 1.207,1236 2.029,1237 1.83,1238 1.801,1239 1.938,1240 1.99,1241 1.135,1242 1.975,1243 1.77,1244 1.743,1245 1.927,1246 1.936,1247 0.965,1248 1.938,1249 1.575,1250 1.551,1251 1.668,1252 1.75,1253 0.825,1254 1.731,1255 1.365,1256 1.355,1257 1.513,1258 1.494,1259 0.804,1260 1.486,1261 1.153,1262 1.064,1263 1.412,1264 1.376,1265 0.607,1266 1.429,1267 1.087,1268 1.061,1269 1.194,1270 1.297,1271 0.351,1272 1.299,1273 0.991,1274 0.974,1275 1.181,1276 1.151,1277 0.218,1278 1.149,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.728,1286 6.862,1287 10.387,1295 2.62,1296 2.873,1297 11.557,1300 2.031,1305 34.325,1306 84.685,1307 196.709,1308 236.683,1309 246.193,1310 246.193,1311 246.193,1312 51.432,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.748,1318 4.392,1319 3.644,1320 43.816,1321 139,1322 144,1323 0.152,1324 209.725,1325 369.59,1326 503.488,1327 48473,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.807,1338 14.11,1339 9.574,1340 7.836,1341 15.641,1342 10.767,1343 13.568,1344 0.277,1345 0.163,1346 14.092,1347 8.003,1348 11.887,1349 0.177,1350 0.091,1351 12.656,1352 6.125,1353 10.134,1354 0.114,1355 0.05,1356 10.984,1357 4.421,1358 8.254,1359 0.072,1360 0.026,1361 8.976,1362 2.969,1363 0.242,1364 100.116,1365 0.203,1366 29.409,1367 0.406,1368 168,1369 535.426,1370 207.653,1371 527.614,1372 719.51,1373 496,1374 200,1375 509.765,1376 240.723,1377 526.082,1378 776.36,1379 496,1380 7.854}
{0 CHEMBL2326960,1 1.694,2 13.032,3 2.93,4 8.584,5 118.597,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.203,13 3.635,14 4.572,15 4.697,16 4.154,17 4.039,18 5.724,19 4.009,20 4.796,21 4.957,22 4.242,23 4.128,24 5.934,25 4.088,26 4.797,27 4.967,28 4.145,29 4.101,30 5.992,31 4.039,32 4.769,33 4.949,34 4.079,35 4.055,36 5.915,37 3.984,38 4.643,39 4.794,40 4.034,41 4.035,42 5.807,43 3.962,44 4.621,45 4.768,46 3.964,47 3.988,48 5.841,49 3.893,50 4.553,51 4.738,52 3.837,53 3.832,54 5.66,55 3.724,56 0.081,57 0.707,58 7.99,59 4.571,60 8.553,61 4.908,62 0.367,63 1.18,64 17.597,65 7.814,66 25.192,67 8.216,68 0.526,69 1.429,70 25.149,71 10.037,72 40.818,73 10.839,74 0.562,75 1.388,76 25.67,77 10.559,78 54.304,79 11.768,80 0.645,81 1.336,82 28.241,83 10.64,84 65.436,85 11.805,86 0.36,87 1.191,88 22.217,89 9.637,90 45.457,91 10.367,92 0.439,93 1.203,94 23.203,95 9.509,96 54.84,97 9.84,98 0.466,99 1.132,100 25.508,101 9.097,102 42.655,103 10.162,104 5,105 49,106 0.281,107 0.652,108 0.785,109 0.829,110 0.843,111 0.843,112 3.472,113 0.923,114 -3,115 -3,116 -2.89,119 46,125 4,135 1,139 1,142 6,143 3,144 2,145 2,151 1,152 1,157 1,158 1,172 8,174 1,175 6,178 1,180 2,183 9,186 1,187 6,190 1,192 3,195 7,198 2,199 7,204 2,207 5,211 2,212 9,217 1,220 6,224 8,229 1,232 7,236 1,237 7,245 5,249 1,250 6,253 1,255 1,258 3,263 3,271 1,275 1656,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.734,284 22.032,285 17.308,286 17.308,287 17.308,288 17.308,289 17.308,290 13.572,291 27.067,292 6.082,293 18.258,294 3.95,295 1.71,296 0.91,297 0.64,298 0.56,299 0.56,300 4.184,304 1,305 1,306 900,307 2.915,310 71.303,311 391.045,314 130.053,318 2.035,319 34.006,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 404,332 4.592,333 3.648,334 6.823,335 4.195,336 3.245,337 4.284,338 1.138,339 11.298,340 3.089,341 4.216,342 3.571,343 6.172,344 3.86,345 2.871,346 3.765,347 1.058,348 9.14,349 2.84,350 4.043,351 3.178,352 6.06,353 3.711,354 2.765,355 3.471,356 0.86,357 8.723,358 2.64,359 3.869,360 3.031,361 5.94,362 3.506,363 2.541,364 3.327,365 0.643,366 8.233,367 2.412,368 3.745,369 2.555,370 5.325,371 3.374,372 2.389,373 3.033,375 6.879,376 2.34,377 3.338,378 2.466,379 5.072,380 2.907,381 1.907,382 2.555,384 5.661,385 1.889,386 2.995,387 2.305,388 4.537,389 2.701,390 1.819,391 2.123,393 4.671,394 1.594,395 2.946,396 1.918,397 4.241,398 2.495,399 1.531,400 2.002,402 3.771,403 1.469,404 2.745,405 1.746,406 3.962,407 2.246,408 1.282,409 1.773,411 3.093,412 1.232,413 2.567,414 1.519,415 3.754,416 2.083,417 1.23,418 1.573,420 2.918,421 1.027,422 2.5,423 1.269,424 3.528,425 2,426 1,427 1.5,428 2.636,429 1,430 2.5,431 1.256,432 3.444,433 1.957,434 1,435 1.5,436 2.275,437 0.954,438 2.39,439 1.143,440 3.414,441 1.952,442 1,443 1.311,445 2.136,446 0.946,447 2.176,448 1,449 3.247,450 1.941,451 1,452 1.047,454 2.136,455 0.927,456 2,457 1,458 3.247,459 1.676,460 0.791,461 1,463 2.115,464 0.677,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.186,476 0.78,477 31.933,478 0.639,479 32.219,480 1.039,481 8.404,482 0.271,483 6.782,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.551,498 0.84,499 1.014,500 0.999,501 0.912,502 0.896,503 0.647,504 0.863,505 1.111,506 0.951,507 0.867,508 0.935,509 0.93,510 0.923,511 1.055,512 0.982,513 0.94,514 0.961,515 1.004,516 0.984,517 1.128,518 0.856,519 1.006,520 0.898,521 1.207,522 0.887,523 1.089,524 1.008,525 1.076,526 1.052,527 1.309,528 1.024,529 1.058,530 1.181,531 1.412,532 1.303,533 1.431,534 1.239,535 0.733,536 1.155,537 1.308,538 1.386,539 0.937,540 1.212,541 5,542 0.143,543 3.556,544 1.722,545 1.619,546 1.149,547 0.663,548 0.382,549 0.236,550 0.197,551 14462,552 42306,553 2.18,554 38,556 15,557 1,558 2,559 1,564 1.734,565 2.09,566 3.651,567 -0.329,569 1,573 84.685,574 1.694,575 3.934,576 4.734,577 5.004,578 5.084,579 5.084,580 3.139,581 4.349,582 4.922,583 3.815,584 1773.96,585 8.587,586 25477.3,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.006,596 0.073,597 0.034,598 0.035,599 0.027,600 0.016,601 0.01,602 0.008,603 0.008,604 0.359,605 0.33,606 0.88,607 0.415,608 162.204,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.034,614 0.011,615 -0.068,616 0.061,617 -0.035,618 0.049,619 -0.006,620 0.016,621 -0.069,622 0.056,623 0.048,624 0.003,625 -0.043,626 0.008,627 -0.008,628 -0.019,630 -0.001,631 0.035,632 -0.019,633 -0.03,634 0.091,635 0.027,636 0.117,637 -0.064,638 0.111,639 -0.14,640 -0.057,641 -0.087,642 -0.024,643 -0.117,644 -0.046,645 -0.092,646 -0.175,647 -0.302,648 -0.213,649 -0.128,650 -0.273,651 0.131,652 -0.155,653 -0.109,654 -0.264,655 -0.009,656 -0.182,657 1.879,658 5.638,659 0.871,660 35.132,661 1.015,662 1.111,663 1.767,664 3.121,665 0.711,666 3.584,667 3.912,668 4.22,669 4.5,670 4.745,671 4.86,672 5.043,673 5.187,674 5.308,675 5.429,676 7.474,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.876,683 7.757,684 8.647,685 9.536,686 10.432,687 11.327,688 12.227,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.946,881 3.491,882 1.423,883 1.022,884 5.64,885 11.735,886 3.861,887 4.434,888 5.02,889 5.583,890 6.065,891 6.386,892 6.817,893 7.198,894 7.57,895 7.934,896 0.889,897 50,898 11.495,900 5.02,901 7.801,902 21.789,904 18.142,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 73.983,923 111.456,924 54.591,925 13.13,926 207.844,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 52.626,938 98.075,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 78.242,948 95.202,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.58,956 0.344,957 0.189,958 0.103,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.341,966 287.365,967 0.074,968 27,969 145.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 15.953,980 3.996,983 1.367,984 4.051,986 18.011,987 492.41,988 46.5,993 25.115,995 1.555,997 0.301,999 50.76,1000 55.574,1001 0.3,1002 0.697,1003 0.839,1004 0.887,1005 0.901,1006 0.901,1007 5.101,1008 1.531,1009 5.969,1010 4.671,1011 4.595,1012 5.121,1013 2.06,1014 6.786,1015 4.5,1016 6.294,1017 1.282,1018 7.527,1019 3.771,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.021,1025 7.594,1026 1.23,1027 9.188,1028 3.093,1029 6.188,1030 7.262,1031 2.061,1032 10.814,1033 6.019,1034 8.931,1035 1,1036 10.911,1037 2.918,1038 6.567,1039 7.825,1040 0.424,1041 12.575,1042 6.391,1043 10.302,1044 1,1045 12.675,1046 2.636,1047 8.079,1048 9.702,1049 2.136,1050 15.207,1051 7.839,1052 11.698,1053 1,1054 14.466,1055 2.275,1056 8.856,1057 10.677,1058 0.581,1059 17.321,1060 8.593,1061 13.113,1062 1,1063 16.278,1064 2.136,1065 10.138,1066 12.31,1067 2.247,1068 19.792,1069 9.821,1070 3.245,1071 0.791,1072 18.104,1073 2.136,1074 11.106,1075 13.497,1076 0.788,1077 22.065,1078 10.753,1079 2.871,1080 11.298,1081 19.942,1082 2.115,1083 12.296,1084 15.019,1085 2.381,1086 24.486,1087 11.894,1088 2.765,1089 9.14,1090 21.79,1091 4.284,1092 13.358,1093 16.321,1094 1.027,1095 26.833,1096 12.912,1097 2.541,1098 8.723,1099 23.645,1100 3.765,1101 14.515,1102 17.793,1103 2.531,1104 29.242,1105 14.022,1106 2.389,1107 8.233,1108 25.506,1109 3.471,1110 15.622,1111 19.158,1112 1.284,1113 31.625,1114 15.082,1115 1.907,1116 6.879,1117 27.374,1118 3.327,1119 16.772,1120 20.609,1121 2.693,1122 34.035,1123 16.182,1124 1.819,1125 5.661,1126 29.246,1127 3.033,1128 17.904,1129 22.009,1130 1.553,1131 36.436,1132 17.264,1133 13311,1134 22924,1135 24.156,1136 35.574,1137 53.387,1138 55.04,1139 53.531,1140 52.666,1141 52.745,1142 68.523,1143 7.398,1144 151.365,1145 50.071,1146 5.592,1147 5.648,1148 6.625,1149 5.333,1150 5.245,1151 7.284,1152 2.22,1153 18.664,1154 5.089,1155 10.222,1156 1.525,1157 1.573,1158 1.529,1159 1.505,1160 1.507,1161 1.958,1162 0.211,1163 4.325,1164 1.431,1165 4.054,1166 4.061,1167 4.277,1168 4.034,1169 7.431,1170 4,1171 3.89,1172 3.922,1173 3.88,1174 3.794,1175 7.427,1176 3.787,1177 3.825,1178 3.866,1179 3.762,1180 3.719,1181 4.916,1182 3.721,1183 3.718,1184 3.745,1185 3.703,1186 3.564,1187 4.869,1188 3.563,1189 3.387,1190 3.404,1191 3.373,1192 3.248,1193 4.665,1194 3.256,1195 3.225,1196 3.259,1197 3.26,1198 3.049,1199 4.579,1200 3.057,1201 3.111,1202 3.206,1203 2.902,1204 2.941,1205 4.212,1206 2.91,1207 2.919,1208 2.938,1209 2.866,1210 2.737,1211 3.98,1212 2.728,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.592,1219 0.122,1220 3.648,1221 0.033,1222 6.823,1223 0.323,1224 4.195,1225 0.088,1226 3.245,1227 4.284,1228 1.138,1229 11.298,1230 3.089,1231 1.941,1232 1.923,1233 2.028,1234 2.034,1235 1.207,1236 2.03,1237 1.814,1238 1.777,1239 1.936,1240 1.99,1241 1.143,1242 1.974,1243 1.77,1244 1.744,1245 1.923,1246 1.935,1247 0.943,1248 1.937,1249 1.577,1250 1.553,1251 1.669,1252 1.75,1253 0.825,1254 1.732,1255 1.386,1256 1.384,1257 1.513,1258 1.505,1259 0.806,1260 1.496,1261 1.153,1262 1.077,1263 1.425,1264 1.376,1265 0.617,1266 1.429,1267 1.102,1268 1.064,1269 1.244,1270 1.292,1271 0.353,1272 1.308,1273 0.99,1274 0.967,1275 1.181,1276 1.151,1277 0.267,1278 1.15,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.728,1286 6.862,1287 10.387,1295 2.602,1296 2.818,1297 11.548,1300 2.025,1305 34.325,1306 84.685,1307 196.709,1308 236.683,1309 250.193,1310 254.193,1311 254.193,1312 51.91,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.751,1318 4.392,1319 3.644,1320 43.795,1321 138,1322 146,1323 0.153,1324 209.725,1325 369.59,1326 503.488,1327 48319,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.807,1338 14.114,1339 9.573,1340 7.838,1341 15.641,1342 10.767,1343 13.568,1344 0.277,1345 0.163,1346 14.092,1347 8.009,1348 11.887,1349 0.177,1350 0.091,1351 12.656,1352 6.107,1353 10.144,1354 0.114,1355 0.05,1356 10.994,1357 4.423,1358 8.193,1359 0.072,1360 0.026,1361 8.914,1362 2.97,1363 0.244,1364 100.116,1365 0.203,1366 29.388,1367 0.411,1368 168,1369 535.426,1370 207.653,1371 527.745,1372 719.55,1373 496,1374 200,1375 509.765,1376 240.918,1377 526.377,1378 776.8,1379 496,1380 6.963}
{0 CHEMBL2326961,1 1.694,2 13.032,3 2.93,4 8.584,5 118.597,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.203,13 3.635,14 4.572,15 4.697,16 4.154,17 4.039,18 5.725,19 4.009,20 4.796,21 4.957,22 4.239,23 4.13,24 5.928,25 4.09,26 4.797,27 4.963,28 4.147,29 4.109,30 5.994,31 4.044,32 4.782,33 4.967,34 4.075,35 4.063,36 5.902,37 3.989,38 4.647,39 4.795,40 4.036,41 4.04,42 5.839,43 3.965,44 4.615,45 4.76,46 3.963,47 3.997,48 5.822,49 3.897,50 4.573,51 4.765,52 3.841,53 3.83,54 5.675,55 3.722,56 0.081,57 0.707,58 7.99,59 4.571,60 8.553,61 4.908,62 0.367,63 1.18,64 17.597,65 7.814,66 25.245,67 8.216,68 0.516,69 1.423,70 25.181,71 9.987,72 40.835,73 10.754,74 0.565,75 1.388,76 25.362,77 10.653,78 53.195,79 11.882,80 0.615,81 1.347,82 28.953,83 10.911,84 61.904,85 12.17,86 0.416,87 1.19,88 22.255,89 9.619,90 53.943,91 10.269,92 0.399,93 1.191,94 22.779,95 9.653,96 49.236,97 10.166,98 0.479,99 1.158,100 26.368,101 9.257,102 44.203,103 10.444,104 5,105 49,106 0.281,107 0.652,108 0.771,109 0.803,110 0.816,111 0.816,112 3.472,113 0.923,114 -3,115 -3,116 -2.89,119 46,125 4,135 1,139 1,142 6,143 3,144 2,145 2,151 1,152 1,157 1,158 1,172 7,174 1,175 7,178 1,180 3,183 10,186 1,187 5,192 2,195 7,198 2,199 8,202 1,204 2,207 6,211 1,212 7,217 1,220 7,223 1,224 7,229 1,232 7,236 1,237 7,245 4,249 1,250 7,253 1,255 1,258 3,263 3,275 1656,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.734,284 22.04,285 17.308,286 17.308,287 17.308,288 17.308,289 17.308,290 13.572,291 27.067,292 6.082,293 18.263,294 3.95,295 1.71,296 0.99,297 0.8,298 0.72,299 0.72,300 4.184,304 1,305 1,306 900,307 2.915,310 71.303,311 391.045,314 130.053,318 2.035,319 33.962,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 404,332 4.592,333 3.648,334 6.823,335 4.195,336 3.245,337 4.284,338 1.138,339 11.298,340 3.089,341 4.216,342 3.571,343 6.172,344 3.86,345 2.871,346 3.765,347 1.058,348 9.14,349 2.841,350 4.043,351 3.178,352 6.06,353 3.712,354 2.765,355 3.471,356 0.86,357 8.723,358 2.64,359 3.869,360 3.031,361 5.94,362 3.507,363 2.541,364 3.327,365 0.643,366 8.233,367 2.414,368 3.745,369 2.555,370 5.325,371 3.377,372 2.389,373 3.033,375 6.879,376 2.346,377 3.338,378 2.466,379 5.072,380 2.907,381 1.907,382 2.555,384 5.661,385 1.889,386 2.995,387 2.305,388 4.537,389 2.701,390 1.819,391 2.123,393 4.671,394 1.594,395 2.946,396 1.918,397 4.241,398 2.481,399 1.531,400 2.002,402 3.771,403 1.449,404 2.745,405 1.746,406 3.962,407 2.232,408 1.282,409 1.773,411 3.093,412 1.212,413 2.567,414 1.519,415 3.754,416 2.083,417 1.23,418 1.573,420 2.918,421 1.027,422 2.5,423 1.269,424 3.528,425 2,426 1,427 1.5,428 2.636,429 1,430 2.5,431 1.256,432 3.444,433 1.984,434 1,435 1.5,436 2.275,437 0.983,438 2.39,439 1.143,440 3.414,441 1.952,442 1,443 1.311,445 2.136,446 0.946,447 2.176,448 1,449 3.247,450 1.94,451 1,452 1.047,454 2.136,455 0.926,456 2,457 1,458 3.247,459 1.676,460 0.791,461 1,463 2.115,464 0.677,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.199,476 0.781,477 31.933,478 0.639,479 32.206,480 1.039,481 8.405,482 0.271,483 6.782,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.551,498 0.84,499 1.014,500 0.999,501 0.912,502 0.896,503 0.645,504 0.863,505 1.137,506 0.968,507 0.872,508 0.927,509 0.938,510 0.914,511 1.02,512 0.952,513 0.946,514 0.978,515 0.99,516 1.01,517 1.139,518 0.853,519 0.99,520 0.893,521 1.215,522 0.875,523 1.108,524 0.961,525 1.099,526 1.033,527 1.397,528 1.027,529 0.954,530 1.227,531 1.39,532 1.354,533 1.295,534 1.279,535 0.729,536 1.165,537 1.28,538 1.364,539 0.918,540 1.189,541 5,542 0.143,543 3.556,544 1.722,545 1.619,546 1.149,547 0.663,548 0.382,549 0.236,550 0.197,551 14462,552 42502,553 2.18,554 38,556 15,557 1,558 2,559 1,564 1.734,565 2.09,566 3.651,567 -0.329,569 1,573 84.685,574 1.694,575 3.934,576 4.654,577 4.844,578 4.924,579 4.924,580 3.139,581 4.349,582 4.922,583 3.815,584 1773.96,585 8.587,586 25477.3,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.006,596 0.073,597 0.034,598 0.035,599 0.027,600 0.016,601 0.01,602 0.008,603 0.008,604 0.359,605 0.33,606 0.88,607 0.415,608 162.204,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.034,614 0.011,615 -0.068,616 0.061,617 -0.035,618 0.049,619 -0.003,620 0.016,621 -0.096,622 0.039,623 0.042,624 0.011,625 -0.052,626 0.017,627 0.017,628 0.006,629 -0.013,630 -0.016,631 0.04,632 -0.045,633 -0.06,634 0.083,635 0.047,636 0.125,637 -0.086,638 0.136,639 -0.119,640 -0.008,641 -0.111,642 -0.007,643 -0.118,644 -0.056,645 -0.049,646 -0.237,647 -0.287,648 -0.256,649 -0.091,650 -0.301,651 0.136,652 -0.163,653 -0.077,654 -0.247,655 0.004,656 -0.153,657 1.867,658 5.639,659 0.871,660 35.132,661 1.015,662 1.111,663 1.767,664 3.121,665 0.711,666 3.584,667 3.912,668 4.22,669 4.5,670 4.745,671 4.86,672 5.043,673 5.187,674 5.308,675 5.429,676 7.474,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.876,683 7.757,684 8.647,685 9.536,686 10.432,687 11.327,688 12.227,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.946,881 3.491,882 1.423,883 1.022,884 5.64,885 11.735,886 3.861,887 4.434,888 5.02,889 5.583,890 6.065,891 6.386,892 6.817,893 7.198,894 7.57,895 7.934,896 0.889,897 50,898 11.494,900 5.018,901 7.801,902 21.789,904 18.142,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 73.983,923 111.456,924 54.591,925 13.13,926 207.844,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 52.626,938 98.075,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 78.242,948 95.202,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.58,956 0.344,957 0.189,958 0.103,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.341,966 287.365,967 0.074,968 27,969 141.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 15.895,980 3.942,983 1.368,984 4.114,986 18.011,987 492.41,988 46.5,993 25.123,995 1.556,997 0.315,999 50.76,1000 55.574,1001 0.3,1002 0.697,1003 0.825,1004 0.858,1005 0.872,1006 0.872,1007 5.101,1008 1.531,1009 5.969,1010 4.671,1011 4.595,1012 5.121,1013 2.06,1014 6.786,1015 4.5,1016 6.294,1017 1.282,1018 7.527,1019 3.771,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.021,1025 7.594,1026 1.23,1027 9.188,1028 3.093,1029 6.188,1030 7.262,1031 2.061,1032 10.814,1033 6.02,1034 8.931,1035 1,1036 10.911,1037 2.918,1038 6.567,1039 7.825,1040 0.424,1041 12.575,1042 6.393,1043 10.302,1044 1,1045 12.675,1046 2.636,1047 8.079,1048 9.702,1049 2.136,1050 15.207,1051 7.84,1052 11.698,1053 1,1054 14.466,1055 2.275,1056 8.856,1057 10.677,1058 0.581,1059 17.321,1060 8.595,1061 13.113,1062 1,1063 16.278,1064 2.136,1065 10.138,1066 12.31,1067 2.247,1068 19.792,1069 9.823,1070 3.245,1071 0.791,1072 18.104,1073 2.136,1074 11.106,1075 13.497,1076 0.788,1077 22.065,1078 10.756,1079 2.871,1080 11.298,1081 19.942,1082 2.115,1083 12.296,1084 15.019,1085 2.381,1086 24.486,1087 11.897,1088 2.765,1089 9.14,1090 21.79,1091 4.284,1092 13.358,1093 16.321,1094 1.027,1095 26.833,1096 12.914,1097 2.541,1098 8.723,1099 23.645,1100 3.765,1101 14.515,1102 17.793,1103 2.531,1104 29.242,1105 14.024,1106 2.389,1107 8.233,1108 25.506,1109 3.471,1110 15.622,1111 19.158,1112 1.284,1113 31.625,1114 15.083,1115 1.907,1116 6.879,1117 27.374,1118 3.327,1119 16.772,1120 20.609,1121 2.693,1122 34.035,1123 16.184,1124 1.819,1125 5.661,1126 29.246,1127 3.033,1128 17.904,1129 22.009,1130 1.553,1131 36.436,1132 17.266,1133 13311,1134 22974,1135 24.156,1136 35.574,1137 53.387,1138 55.04,1139 53.531,1140 52.672,1141 52.745,1142 68.523,1143 7.398,1144 151.365,1145 50.067,1146 5.592,1147 5.648,1148 6.625,1149 5.333,1150 5.245,1151 7.284,1152 2.22,1153 18.664,1154 5.089,1155 10.222,1156 1.525,1157 1.573,1158 1.529,1159 1.505,1160 1.507,1161 1.958,1162 0.211,1163 4.325,1164 1.43,1165 4.054,1166 4.061,1167 4.277,1168 4.034,1169 7.431,1170 4,1171 3.891,1172 3.922,1173 3.881,1174 3.796,1175 7.427,1176 3.789,1177 3.825,1178 3.866,1179 3.762,1180 3.719,1181 4.917,1182 3.721,1183 3.718,1184 3.744,1185 3.703,1186 3.563,1187 4.869,1188 3.563,1189 3.385,1190 3.402,1191 3.373,1192 3.247,1193 4.665,1194 3.255,1195 3.217,1196 3.251,1197 3.256,1198 3.031,1199 4.579,1200 3.042,1201 3.111,1202 3.206,1203 2.898,1204 2.941,1205 4.213,1206 2.91,1207 2.915,1208 2.933,1209 2.866,1210 2.735,1211 4.023,1212 2.715,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.592,1219 0.122,1220 3.648,1221 0.033,1222 6.823,1223 0.323,1224 4.195,1225 0.088,1226 3.245,1227 4.284,1228 1.138,1229 11.298,1230 3.089,1231 1.942,1232 1.923,1233 2.028,1234 2.034,1235 1.207,1236 2.03,1237 1.814,1238 1.777,1239 1.935,1240 1.99,1241 1.143,1242 1.975,1243 1.77,1244 1.743,1245 1.922,1246 1.935,1247 0.946,1248 1.937,1249 1.576,1250 1.552,1251 1.669,1252 1.75,1253 0.825,1254 1.731,1255 1.384,1256 1.382,1257 1.513,1258 1.501,1259 0.806,1260 1.491,1261 1.153,1262 1.064,1263 1.419,1264 1.376,1265 0.615,1266 1.429,1267 1.079,1268 1.062,1269 1.19,1270 1.285,1271 0.352,1272 1.293,1273 0.978,1274 0.95,1275 1.181,1276 1.15,1277 0.218,1278 1.148,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.728,1286 6.862,1287 10.387,1295 2.604,1296 2.841,1297 11.55,1300 2.026,1305 34.325,1306 84.685,1307 196.709,1308 232.683,1309 242.193,1310 246.193,1311 246.193,1312 51.759,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.751,1318 4.392,1319 3.644,1320 43.795,1321 138,1322 146,1323 0.153,1324 209.725,1325 369.59,1326 503.488,1327 48319,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.807,1338 14.11,1339 9.574,1340 7.836,1341 15.641,1342 10.767,1343 13.568,1344 0.277,1345 0.163,1346 14.092,1347 8.003,1348 11.887,1349 0.177,1350 0.091,1351 12.656,1352 6.125,1353 10.144,1354 0.114,1355 0.05,1356 10.994,1357 4.421,1358 8.193,1359 0.072,1360 0.026,1361 8.914,1362 2.973,1363 0.244,1364 100.116,1365 0.203,1366 29.388,1367 0.411,1368 168,1369 535.426,1370 207.653,1371 527.614,1372 719.51,1373 496,1374 200,1375 509.765,1376 240.723,1377 526.082,1378 776.36,1379 496,1380 6.728}
{0 CHEMBL2326962,1 1.694,2 13.032,3 3.469,4 12.033,5 118.91,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.201,13 3.635,14 4.573,15 4.697,16 4.157,17 4.037,18 5.731,19 4.007,20 4.797,21 4.961,22 4.241,23 4.12,24 5.932,25 4.083,26 4.784,27 4.949,28 4.148,29 4.093,30 6.004,31 4.033,32 4.765,33 4.949,34 4.076,35 4.051,36 5.886,37 3.98,38 4.648,39 4.802,40 4.035,41 4.027,42 5.827,43 3.958,44 4.602,45 4.74,46 3.96,47 3.989,48 5.828,49 3.895,50 4.56,51 4.742,52 3.838,53 3.846,54 5.662,55 3.734,56 0.081,57 0.707,58 7.99,59 4.571,60 8.5,61 4.908,62 0.376,63 1.186,64 17.565,65 7.864,66 25.175,67 8.301,68 0.523,69 1.429,70 25.457,71 9.943,72 41.927,73 10.724,74 0.592,75 1.377,76 24.958,77 10.288,78 57.835,79 11.403,80 0.589,81 1.336,82 28.203,83 10.658,84 56.951,85 11.903,86 0.401,87 1.203,88 22.642,89 9.493,90 51.061,91 10.042,92 0.427,93 1.177,94 22.343,95 9.348,96 53.292,97 9.558,98 0.448,99 1.13,100 25.473,101 9.326,102 41.24,103 10.499,104 5,105 49,106 0.281,107 0.645,108 0.777,109 0.829,110 0.843,111 0.843,112 3.472,113 0.924,114 -3.81,115 -3.77,116 -3.58,119 46,125 4,135 1,139 1,142 7,143 3,144 1,145 1,147 1,151 1,152 1,157 1,158 1,172 9,174 1,175 7,178 2,180 2,183 10,186 1,187 6,192 3,195 7,198 3,199 8,204 3,207 5,211 1,212 10,217 1,220 6,224 9,229 1,232 8,236 1,237 6,245 7,249 1,250 6,253 1,255 1,258 5,263 2,271 2,275 1656,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.734,284 22.035,285 17.308,286 17.308,287 17.308,288 17.308,289 17.308,290 13.572,291 27.067,292 6.082,293 18.27,294 3.95,295 1.753,296 0.953,297 0.64,298 0.56,299 0.56,300 4.184,304 1,305 1,306 900,307 2.915,310 71.303,311 391.045,314 130.053,318 2.035,319 34.099,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 404,332 4.592,333 3.648,334 6.823,335 4.195,336 3.245,337 4.284,338 1.138,339 11.298,340 3.089,341 4.216,342 3.571,343 6.172,344 3.858,345 2.871,346 3.765,347 1.058,348 9.14,349 2.837,350 4.043,351 3.178,352 6.06,353 3.71,354 2.765,355 3.471,356 0.86,357 8.723,358 2.636,359 3.869,360 3.031,361 5.94,362 3.502,363 2.541,364 3.327,365 0.643,366 8.233,367 2.405,368 3.745,369 2.555,370 5.325,371 3.36,372 2.389,373 3.033,375 6.879,376 2.303,377 3.338,378 2.466,379 5.072,380 2.907,381 1.907,382 2.555,384 5.661,385 1.889,386 2.995,387 2.305,388 4.537,389 2.701,390 1.819,391 2.123,393 4.671,394 1.595,395 2.946,396 1.918,397 4.241,398 2.512,399 1.531,400 2.002,402 3.771,403 1.496,404 2.745,405 1.746,406 3.962,407 2.252,408 1.282,409 1.773,411 3.093,412 1.24,413 2.567,414 1.519,415 3.754,416 2.083,417 1.23,418 1.573,420 2.918,421 1.027,422 2.5,423 1.269,424 3.528,425 2,426 1,427 1.5,428 2.636,429 1,430 2.5,431 1.256,432 3.444,433 1.959,434 1,435 1.5,436 2.275,437 0.956,438 2.39,439 1.143,440 3.414,441 1.952,442 1,443 1.311,445 2.136,446 0.946,447 2.176,448 1,449 3.247,450 1.941,451 1,452 1.047,454 2.136,455 0.926,456 2,457 1,458 3.247,459 1.676,460 0.791,461 1,463 2.115,464 0.677,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.174,476 0.78,477 31.933,478 0.639,479 32.232,480 1.04,481 8.404,482 0.271,483 6.783,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.555,498 0.84,499 0.981,500 0.978,501 0.906,502 0.906,503 0.636,504 0.874,505 1.146,506 0.981,507 0.861,508 0.917,509 0.943,510 0.897,511 1.043,512 0.987,513 0.955,514 0.966,515 0.992,516 0.999,517 1.112,518 0.897,519 0.986,520 0.915,521 1.13,522 0.885,523 1.191,524 0.963,525 1.098,526 1.003,527 1.442,528 0.985,529 1.069,530 1.171,531 1.442,532 1.324,533 1.46,534 1.262,535 0.685,536 1.19,537 1.297,538 1.424,539 0.911,540 1.25,541 5,542 0.143,543 3.556,544 1.722,545 1.619,546 1.149,547 0.663,548 0.382,549 0.236,550 0.197,551 14462,552 42110,553 2.18,554 38,556 16,557 1,558 1,559 1,564 1.734,565 2.09,566 3.651,567 -0.329,569 1,573 84.685,574 1.694,575 3.891,576 4.691,577 5.004,578 5.084,579 5.084,580 3.139,581 4.349,582 4.922,583 3.815,584 1773.96,585 8.587,586 25477.3,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.006,596 0.073,597 0.034,598 0.035,599 0.027,600 0.016,601 0.01,602 0.008,603 0.008,604 0.359,605 0.33,606 0.88,607 0.415,608 162.204,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.039,614 0.011,615 -0.034,616 0.082,617 -0.029,618 0.039,619 0.006,620 0.005,621 -0.095,622 0.031,623 0.06,624 0.019,625 -0.049,626 0.034,627 0.022,628 -0.013,629 -0.02,630 -0.011,631 0.059,632 -0.047,633 -0.049,634 0.048,635 0.048,636 0.102,637 -0.063,638 0.12,639 -0.183,640 0.003,641 -0.101,642 0.017,643 -0.153,644 -0.019,645 -0.102,646 -0.168,647 -0.337,648 -0.229,649 -0.144,650 -0.304,651 0.153,652 -0.21,653 -0.107,654 -0.297,656 -0.211,657 1.901,658 5.638,659 0.871,660 35.132,661 1.015,662 1.111,663 2.579,664 6.649,665 0.711,666 3.584,667 3.912,668 4.22,669 4.5,670 4.745,671 4.86,672 5.043,673 5.187,674 5.308,675 5.429,676 7.474,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.876,683 7.757,684 8.647,685 9.536,686 10.432,687 11.327,688 12.227,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.957,881 3.491,882 1.423,883 1.022,884 5.64,885 11.735,886 3.861,887 4.434,888 5.02,889 5.583,890 6.065,891 6.386,892 6.817,893 7.198,894 7.57,895 7.934,896 0.889,897 50,898 11.497,900 5.022,901 7.801,902 21.789,904 18.134,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 83.459,923 99.685,924 42.786,925 15.457,926 219.615,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 43.579,938 107.122,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 77.813,948 95.631,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.58,956 0.344,957 0.189,958 0.103,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.341,966 287.365,967 0.074,968 27,969 145.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 16.095,980 4.107,983 1.366,984 3.891,986 18.011,987 492.41,988 46.5,993 25.102,995 1.555,997 0.277,999 50.76,1000 55.574,1001 0.3,1002 0.689,1003 0.831,1004 0.887,1005 0.901,1006 0.901,1007 5.101,1008 1.531,1009 5.969,1010 4.671,1011 4.595,1012 5.121,1013 2.06,1014 6.786,1015 4.498,1016 6.294,1017 1.282,1018 7.527,1019 3.771,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.012,1025 7.594,1026 1.23,1027 9.188,1028 3.093,1029 6.188,1030 7.262,1031 2.061,1032 10.814,1033 6.013,1034 8.931,1035 1,1036 10.911,1037 2.918,1038 6.567,1039 7.825,1040 0.424,1041 12.575,1042 6.379,1043 10.302,1044 1,1045 12.675,1046 2.636,1047 8.079,1048 9.702,1049 2.136,1050 15.207,1051 7.829,1052 11.698,1053 1,1054 14.466,1055 2.275,1056 8.856,1057 10.677,1058 0.581,1059 17.321,1060 8.58,1061 13.113,1062 1,1063 16.278,1064 2.136,1065 10.138,1066 12.31,1067 2.247,1068 19.792,1069 9.81,1070 3.245,1071 0.791,1072 18.104,1073 2.136,1074 11.106,1075 13.497,1076 0.788,1077 22.065,1078 10.742,1079 2.871,1080 11.298,1081 19.942,1082 2.115,1083 12.296,1084 15.019,1085 2.381,1086 24.486,1087 11.884,1088 2.765,1089 9.14,1090 21.79,1091 4.284,1092 13.358,1093 16.321,1094 1.027,1095 26.833,1096 12.902,1097 2.541,1098 8.723,1099 23.645,1100 3.765,1101 14.515,1102 17.793,1103 2.531,1104 29.242,1105 14.012,1106 2.389,1107 8.233,1108 25.506,1109 3.471,1110 15.622,1111 19.158,1112 1.284,1113 31.625,1114 15.072,1115 1.907,1116 6.879,1117 27.374,1118 3.327,1119 16.772,1120 20.609,1121 2.693,1122 34.035,1123 16.174,1124 1.819,1125 5.661,1126 29.246,1127 3.033,1128 17.904,1129 22.009,1130 1.553,1131 36.436,1132 17.256,1133 13311,1134 22876,1135 24.156,1136 35.574,1137 53.387,1138 55.04,1139 53.531,1140 52.677,1141 52.745,1142 68.523,1143 7.398,1144 151.365,1145 50.045,1146 5.592,1147 5.648,1148 6.625,1149 5.333,1150 5.245,1151 7.284,1152 2.22,1153 18.664,1154 5.089,1155 10.222,1156 1.525,1157 1.573,1158 1.529,1159 1.505,1160 1.507,1161 1.958,1162 0.211,1163 4.325,1164 1.43,1165 4.053,1166 4.06,1167 4.277,1168 4.033,1169 7.431,1170 4,1171 3.888,1172 3.92,1173 3.879,1174 3.791,1175 7.427,1176 3.783,1177 3.826,1178 3.866,1179 3.762,1180 3.72,1181 4.914,1182 3.722,1183 3.719,1184 3.745,1185 3.703,1186 3.564,1187 4.867,1188 3.563,1189 3.39,1190 3.407,1191 3.374,1192 3.249,1193 4.664,1194 3.258,1195 3.232,1196 3.265,1197 3.265,1198 3.061,1199 4.579,1200 3.068,1201 3.111,1202 3.206,1203 2.904,1204 2.941,1205 4.211,1206 2.91,1207 2.92,1208 2.938,1209 2.866,1210 2.737,1211 3.931,1212 2.728,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.592,1219 0.122,1220 3.648,1221 0.033,1222 6.823,1223 0.323,1224 4.195,1225 0.088,1226 3.245,1227 4.284,1228 1.138,1229 11.298,1230 3.089,1231 1.94,1232 1.922,1233 2.027,1234 2.033,1235 1.207,1236 2.028,1237 1.813,1238 1.775,1239 1.936,1240 1.989,1241 1.142,1242 1.974,1243 1.771,1244 1.744,1245 1.927,1246 1.935,1247 0.935,1248 1.938,1249 1.577,1250 1.553,1251 1.67,1252 1.751,1253 0.825,1254 1.732,1255 1.39,1256 1.387,1257 1.513,1258 1.51,1259 0.807,1260 1.501,1261 1.153,1262 1.086,1263 1.429,1264 1.376,1265 0.619,1266 1.429,1267 1.112,1268 1.064,1269 1.248,1270 1.296,1271 0.354,1272 1.315,1273 0.992,1274 0.97,1275 1.181,1276 1.151,1277 0.272,1278 1.15,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.728,1286 6.862,1287 10.387,1295 2.6,1296 2.77,1297 11.547,1300 2.025,1305 34.325,1306 84.685,1307 194.567,1308 234.541,1309 250.193,1310 254.193,1311 254.193,1312 51.672,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.751,1318 4.392,1319 3.644,1320 43.795,1321 138,1322 146,1323 0.153,1324 209.725,1325 369.59,1326 503.488,1327 48319,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.818,1338 14.119,1339 9.588,1340 7.849,1341 15.641,1342 10.777,1343 13.568,1344 0.277,1345 0.163,1346 14.092,1347 7.982,1348 11.887,1349 0.177,1350 0.091,1351 12.656,1352 6.094,1353 10.144,1354 0.114,1355 0.05,1356 10.994,1357 4.408,1358 8.193,1359 0.072,1360 0.026,1361 8.914,1362 2.966,1363 0.244,1364 100.07,1365 0.203,1366 29.388,1367 0.411,1368 168,1369 535.426,1370 208.042,1371 527.554,1372 720.47,1373 496,1374 200,1375 512.117,1376 241.056,1377 527.779,1378 780.14,1379 498,1380 7.066}
{0 CHEMBL2326963,1 1.694,2 12.194,3 2.93,4 8.584,5 118.597,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.203,13 3.635,14 4.572,15 4.697,16 4.154,17 4.039,18 5.725,19 4.009,20 4.796,21 4.957,22 4.239,23 4.13,24 5.927,25 4.09,26 4.797,27 4.963,28 4.16,29 4.115,30 5.985,31 4.054,32 4.784,33 4.96,34 4.13,35 4.088,36 5.926,37 4.026,38 4.694,39 4.832,40 4.145,41 4.095,42 5.934,43 4.032,44 4.706,45 4.848,46 4.103,47 4.065,48 5.948,49 3.974,50 4.603,51 4.786,52 3.866,53 3.932,54 5.644,55 3.825,56 0.081,57 0.707,58 7.99,59 4.571,60 8.553,61 4.908,62 0.367,63 1.18,64 17.597,65 7.814,66 25.248,67 8.216,68 0.516,69 1.423,70 25.181,71 9.987,72 40.904,73 10.754,74 0.568,75 1.388,76 25.492,77 10.655,78 53.237,79 11.894,80 0.583,81 1.355,82 28.244,83 10.87,84 57.452,85 12.078,86 0.426,87 1.255,88 21.842,89 9.753,90 57.8,91 10.192,92 0.627,93 1.31,94 27.546,95 10.489,96 64.883,97 10.773,98 0.287,99 1.194,100 25.533,101 9.901,102 28.061,103 11.174,104 5,105 49,106 0.281,107 0.652,108 0.791,109 0.836,110 0.843,111 0.843,112 3.472,113 0.923,114 -3,115 -3,116 -2.89,119 46,125 4,135 1,139 1,142 6,143 3,144 2,145 2,151 1,152 1,157 1,158 1,172 7,174 1,175 7,178 1,180 3,183 10,186 1,187 5,192 2,195 7,198 2,199 8,202 1,204 2,207 6,211 1,212 8,217 2,220 7,223 1,224 6,232 7,236 2,237 8,240 1,242 1,245 6,250 6,258 1,262 2,263 7,266 2,268 1,271 2,275 1647,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.778,284 22.04,285 17.325,286 17.325,287 17.325,288 17.325,289 17.325,290 13.578,291 27.067,292 6.114,293 18.28,294 3.95,295 1.71,296 0.87,297 0.6,298 0.56,299 0.56,300 4.184,304 1,305 1,306 840,307 2.915,310 66.013,311 372.543,314 121.087,318 1.89,319 34.572,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 378,332 4.596,333 3.649,334 6.826,335 4.2,336 3.248,337 4.29,338 1.138,339 11.311,340 3.1,341 4.237,342 3.573,343 6.198,344 3.88,345 2.893,346 3.787,347 1.058,348 9.235,349 2.852,350 4.024,351 3.178,352 6.076,353 3.693,354 2.75,355 3.465,356 0.86,357 8.798,358 2.615,359 3.872,360 3.03,361 5.905,362 3.504,363 2.537,364 3.303,365 0.643,366 8.115,367 2.415,368 3.715,369 2.558,370 5.33,371 3.356,372 2.364,373 2.991,375 6.88,376 2.33,377 3.329,378 2.466,379 5.054,380 2.894,381 1.894,382 2.551,384 5.601,385 1.877,386 2.996,387 2.308,388 4.537,389 2.701,390 1.819,391 2.113,393 4.671,394 1.595,395 2.937,396 1.87,397 4.245,398 2.477,399 1.523,400 2.005,402 3.752,403 1.449,404 2.8,405 1.73,406 3.919,407 2.303,408 1.335,409 1.888,411 3.089,412 1.283,413 2.567,414 1.519,415 3.754,416 2.084,417 1.257,418 1.579,420 2.928,421 1.027,422 2.529,423 1.272,424 3.538,425 2.009,426 1,427 1.5,428 2.62,429 1.002,430 2.5,431 1.256,432 3.451,433 1.984,434 1,435 1.477,436 2.394,437 0.983,438 2.371,439 1.23,440 3.441,441 1.952,442 1,443 1.3,445 2.136,446 0.946,447 2.172,448 1.015,449 3.247,450 1.928,451 1,452 1.038,454 2.136,455 0.915,456 2,457 1,458 3.247,459 1.666,460 0.776,461 1,463 2.086,464 0.668,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.487,476 0.79,477 31.933,478 0.639,479 32.61,480 1.052,481 8.405,482 0.271,483 6.782,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.551,498 0.84,499 1.014,500 0.999,501 0.912,502 0.896,503 0.644,504 0.863,505 1.137,506 0.968,507 0.872,508 0.927,509 0.942,510 0.914,511 1.018,512 0.923,513 0.923,514 0.947,515 0.996,516 0.972,517 1.115,518 0.894,519 0.954,520 0.908,521 1.176,522 0.864,523 1.184,524 0.994,525 1.044,526 1.01,527 1.536,528 1.016,529 0.967,530 1.153,531 1.441,532 1.352,533 1.379,534 1.204,535 0.728,536 1.227,537 1.3,538 1.392,539 0.709,540 1.215,541 5,542 0.135,543 3.333,544 1.722,545 1.619,546 1.125,547 0.64,548 0.406,549 0.269,550 0.178,551 13702,552 40198,553 2.18,554 38,556 15,557 1,558 2,559 1,564 1.738,565 2.09,566 3.582,567 -0.329,569 1,573 84.685,574 1.694,575 3.934,576 4.774,577 5.044,578 5.084,579 5.084,580 3.071,581 4.503,582 4.924,583 3.714,584 1727.14,585 8.609,586 24303.2,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.005,596 0.068,597 0.034,598 0.034,599 0.024,600 0.014,601 0.01,602 0.008,603 0.006,604 0.347,605 0.33,606 0.88,607 0.415,608 160.695,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.034,614 0.011,615 -0.068,616 0.061,617 -0.035,618 0.049,619 -0.003,620 0.016,621 -0.096,622 0.039,623 0.042,624 0.011,625 -0.055,626 0.017,627 0.02,628 0.035,629 0.011,630 0.016,631 0.034,632 -0.006,633 -0.043,634 0.045,635 0.065,636 0.105,637 -0.054,638 0.136,639 -0.138,640 -0.027,641 -0.082,642 -0.004,643 -0.139,644 -0.074,645 0.066,646 -0.143,647 -0.239,648 -0.209,649 -0.065,650 -0.23,651 -0.007,652 -0.241,653 -0.156,654 -0.281,655 -0.009,656 -0.176,657 1.886,658 5.693,659 0.871,660 32.214,661 1.015,662 1.111,663 1.767,664 3.121,665 0.711,666 3.584,667 3.912,668 4.22,669 4.511,670 4.762,671 4.868,672 5.056,673 5.209,674 5.323,675 5.425,676 7.025,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.878,683 7.76,684 8.653,685 9.544,686 10.442,687 11.339,688 12.241,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.946,881 3.559,882 1.432,883 1.022,884 5.64,885 11.803,886 3.861,887 4.434,888 5.02,889 5.591,890 6.081,891 6.387,892 6.817,893 7.212,894 7.569,895 7.891,896 1,897 50,898 11.502,900 5.027,901 7.801,902 21.789,904 18.142,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 73.983,923 111.456,924 54.591,925 13.13,926 207.844,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 52.626,938 98.075,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 78.242,948 95.202,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.579,956 0.343,957 0.191,958 0.105,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.283,966 291.387,967 0.074,968 27,969 145.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 15.902,980 3.954,983 1.351,984 3.916,986 18.011,987 492.41,988 46.5,993 25.382,995 1.548,997 0.264,999 50.76,1000 55.574,1001 0.3,1002 0.697,1003 0.846,1004 0.894,1005 0.901,1006 0.901,1007 5.101,1008 1.523,1009 5.969,1010 4.671,1011 4.595,1012 5.121,1013 2.06,1014 6.788,1015 4.5,1016 6.294,1017 1.335,1018 7.527,1019 3.752,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.021,1025 7.594,1026 1.257,1027 9.188,1028 3.089,1029 6.188,1030 7.262,1031 2.061,1032 10.824,1033 6.02,1034 8.931,1035 1,1036 10.912,1037 2.928,1038 6.567,1039 7.825,1040 0.424,1041 12.582,1042 6.393,1043 10.302,1044 1,1045 12.677,1046 2.62,1047 8.081,1048 9.704,1049 2.136,1050 15.222,1051 7.843,1052 11.699,1053 1,1054 14.469,1055 2.394,1056 8.86,1057 10.682,1058 0.581,1059 17.336,1060 8.6,1061 13.115,1062 1,1063 16.282,1064 2.136,1065 10.143,1066 12.316,1067 2.247,1068 19.811,1069 9.831,1070 3.248,1071 0.776,1072 18.109,1073 2.136,1074 11.115,1075 13.508,1076 0.788,1077 22.083,1078 10.768,1079 2.893,1080 11.311,1081 19.948,1082 2.086,1083 12.307,1084 15.031,1085 2.381,1086 24.507,1087 11.912,1088 2.75,1089 9.235,1090 21.797,1091 4.29,1092 13.371,1093 16.337,1094 1.027,1095 26.854,1096 12.935,1097 2.537,1098 8.798,1099 23.653,1100 3.787,1101 14.53,1102 17.811,1103 2.531,1104 29.265,1105 14.048,1106 2.364,1107 8.115,1108 25.515,1109 3.465,1110 15.639,1111 19.179,1112 1.284,1113 31.648,1114 15.113,1115 1.894,1116 6.88,1117 27.384,1118 3.303,1119 16.791,1120 20.632,1121 2.693,1122 34.059,1123 16.218,1124 1.819,1125 5.601,1126 29.257,1127 2.991,1128 17.924,1129 22.034,1130 1.553,1131 36.46,1132 17.304,1133 12649,1134 21822,1135 24.156,1136 35.574,1137 53.43,1138 55.095,1139 53.537,1140 52.718,1141 52.792,1142 68.578,1143 7.398,1144 151.501,1145 50.113,1146 5.596,1147 5.649,1148 6.628,1149 5.338,1150 5.248,1151 7.29,1152 2.22,1153 18.698,1154 5.1,1155 10.088,1156 1.527,1157 1.574,1158 1.53,1159 1.506,1160 1.508,1161 1.959,1162 0.211,1163 4.329,1164 1.432,1165 4.055,1166 4.062,1167 4.277,1168 4.035,1169 7.431,1170 4.002,1171 3.889,1172 3.92,1173 3.88,1174 3.793,1175 7.427,1176 3.786,1177 3.825,1178 3.866,1179 3.762,1180 3.719,1181 4.917,1182 3.721,1183 3.717,1184 3.743,1185 3.703,1186 3.563,1187 4.869,1188 3.562,1189 3.374,1190 3.391,1191 3.372,1192 3.242,1193 4.666,1194 3.245,1195 3.25,1196 3.285,1197 3.249,1198 3.048,1199 4.581,1200 3.071,1201 3.111,1202 3.206,1203 2.936,1204 2.941,1205 4.216,1206 2.91,1207 2.93,1208 2.948,1209 2.866,1210 2.77,1211 4.03,1212 2.747,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.596,1219 0.123,1220 3.649,1221 0.033,1222 6.826,1223 0.323,1224 4.2,1225 0.089,1226 3.248,1227 4.29,1228 1.138,1229 11.311,1230 3.1,1231 1.942,1232 1.924,1233 2.028,1234 2.034,1235 1.207,1236 2.03,1237 1.813,1238 1.776,1239 1.935,1240 1.989,1241 1.145,1242 1.974,1243 1.77,1244 1.743,1245 1.922,1246 1.934,1247 0.946,1248 1.937,1249 1.576,1250 1.552,1251 1.669,1252 1.75,1253 0.825,1254 1.731,1255 1.369,1256 1.366,1257 1.513,1258 1.486,1259 0.805,1260 1.475,1261 1.153,1262 1.104,1263 1.41,1264 1.376,1265 0.608,1266 1.429,1267 1.135,1268 1.064,1269 1.286,1270 1.34,1271 0.351,1272 1.35,1273 1.006,1274 0.993,1275 1.181,1276 1.153,1277 0.276,1278 1.156,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.729,1286 6.862,1287 10.391,1295 2.566,1296 2.861,1297 11.571,1300 2.018,1305 34.325,1306 84.685,1307 196.709,1308 238.683,1309 252.193,1310 254.193,1311 254.193,1312 52.42,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.763,1318 4.392,1319 3.644,1320 43.6,1321 129,1322 139,1323 0.163,1324 209.725,1325 369.59,1326 503.488,1327 48319,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.807,1338 14.11,1339 9.574,1340 7.838,1341 15.641,1342 10.767,1343 13.58,1344 0.277,1345 0.163,1346 14.104,1347 8.006,1348 11.825,1349 0.176,1350 0.091,1351 12.595,1352 6.103,1353 10.174,1354 0.113,1355 0.049,1356 11.024,1357 4.448,1358 8.331,1359 0.072,1360 0.026,1361 9.045,1362 3,1363 0.255,1364 100.116,1365 0.203,1366 29.092,1367 0.447,1368 168,1369 535.426,1370 207.653,1371 527.679,1372 719.53,1373 496,1374 200,1375 509.765,1376 240.723,1377 526.217,1378 776.62,1379 496,1380 7.149}
{0 CHEMBL2326964,1 1.694,2 12.194,3 3.469,4 12.033,5 118.91,6 8.67,7 0.486,8 4.048,9 4.134,10 3.787,11 3.65,12 5.201,13 3.635,14 4.573,15 4.697,16 4.157,17 4.037,18 5.731,19 4.007,20 4.797,21 4.961,22 4.241,23 4.12,24 5.931,25 4.083,26 4.784,27 4.949,28 4.162,29 4.099,30 5.995,31 4.043,32 4.767,33 4.942,34 4.13,35 4.077,36 5.911,37 4.017,38 4.696,39 4.839,40 4.144,41 4.083,42 5.922,43 4.025,44 4.694,45 4.83,46 4.103,47 4.054,48 5.958,49 3.969,50 4.592,51 4.771,52 3.865,53 3.932,54 5.638,55 3.825,56 0.081,57 0.707,58 7.99,59 4.571,60 8.5,61 4.908,62 0.376,63 1.186,64 17.565,65 7.864,66 25.178,67 8.301,68 0.523,69 1.429,70 25.457,71 9.943,72 41.995,73 10.724,74 0.595,75 1.377,76 25.087,77 10.29,78 57.877,79 11.415,80 0.557,81 1.344,82 27.494,83 10.617,84 52.498,85 11.811,86 0.411,87 1.268,88 22.228,89 9.627,90 54.865,91 9.965,92 0.647,93 1.296,94 27.05,95 10.192,96 68.368,97 10.192,98 0.272,99 1.179,100 25.02,101 9.858,102 26.647,103 11.098,104 5,105 49,106 0.281,107 0.645,108 0.791,109 0.856,110 0.869,111 0.869,112 3.472,113 0.924,114 -3.81,115 -3.77,116 -3.58,119 46,125 4,135 1,139 1,142 7,143 3,144 1,145 1,147 1,151 1,152 1,157 1,158 1,172 9,174 1,175 7,178 2,180 2,183 10,186 1,187 6,192 3,195 7,198 3,199 8,204 3,207 5,211 1,212 11,217 2,220 6,224 8,232 8,236 2,237 8,240 1,242 1,245 8,250 4,258 5,262 3,263 5,266 2,268 1,271 3,275 1647,276 21.43,277 21.43,278 21.43,279 21.43,280 21.43,281 19.03,282 20.778,283 12.778,284 22.035,285 17.325,286 17.325,287 17.325,288 17.325,289 17.325,290 13.578,291 27.067,292 6.114,293 18.287,294 3.95,295 1.753,296 0.873,297 0.48,298 0.4,299 0.4,300 4.184,304 1,305 1,306 840,307 2.915,310 66.013,311 372.543,314 121.087,318 1.89,319 34.723,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 67.5,331 378,332 4.596,333 3.649,334 6.826,335 4.2,336 3.248,337 4.29,338 1.138,339 11.311,340 3.1,341 4.237,342 3.573,343 6.198,344 3.878,345 2.893,346 3.787,347 1.058,348 9.235,349 2.848,350 4.024,351 3.178,352 6.076,353 3.691,354 2.75,355 3.465,356 0.86,357 8.798,358 2.609,359 3.872,360 3.03,361 5.905,362 3.497,363 2.537,364 3.303,365 0.643,366 8.115,367 2.402,368 3.715,369 2.558,370 5.33,371 3.342,372 2.364,373 2.991,375 6.88,376 2.293,377 3.329,378 2.466,379 5.054,380 2.894,381 1.894,382 2.551,384 5.601,385 1.878,386 2.996,387 2.308,388 4.537,389 2.701,390 1.819,391 2.113,393 4.671,394 1.595,395 2.937,396 1.87,397 4.245,398 2.504,399 1.523,400 2.005,402 3.752,403 1.487,404 2.8,405 1.73,406 3.919,407 2.324,408 1.335,409 1.888,411 3.089,412 1.315,413 2.567,414 1.519,415 3.754,416 2.084,417 1.257,418 1.579,420 2.928,421 1.027,422 2.529,423 1.272,424 3.538,425 2.012,426 1,427 1.5,428 2.62,429 1.007,430 2.5,431 1.256,432 3.451,433 1.958,434 1,435 1.477,436 2.394,437 0.955,438 2.371,439 1.23,440 3.441,441 1.952,442 1,443 1.3,445 2.136,446 0.946,447 2.172,448 1.015,449 3.247,450 1.928,451 1,452 1.038,454 2.136,455 0.915,456 2,457 1,458 3.247,459 1.666,460 0.776,461 1,463 2.086,464 0.668,465 14.867,466 0.48,467 0.657,468 0.021,469 42.25,470 1.363,471 21.5,472 0.694,473 20.75,474 0.669,475 24.46,476 0.789,477 31.933,478 0.639,479 32.637,480 1.053,481 8.404,482 0.271,483 6.783,484 0.219,485 0.045,487 0.33,493 0.758,494 1.183,495 0.67,496 0.93,497 0.555,498 0.84,499 0.981,500 0.978,501 0.906,502 0.906,503 0.635,504 0.874,505 1.146,506 0.981,507 0.861,508 0.917,509 0.947,510 0.897,511 1.04,512 0.957,513 0.932,514 0.934,515 0.998,516 0.96,517 1.087,518 0.939,519 0.949,520 0.93,521 1.09,522 0.874,523 1.263,524 0.997,525 1.043,526 0.982,527 1.582,528 0.977,529 1.066,530 1.146,531 1.485,532 1.346,533 1.528,534 1.202,535 0.716,536 1.254,537 1.308,538 1.422,539 0.708,540 1.241,541 5,542 0.135,543 3.333,544 1.722,545 1.619,546 1.125,547 0.64,548 0.406,549 0.269,550 0.178,551 13702,552 39806,553 2.18,554 38,556 16,557 1,558 1,559 1,564 1.738,565 2.09,566 3.582,567 -0.329,569 1,573 84.685,574 1.694,575 3.891,576 4.771,577 5.164,578 5.244,579 5.244,580 3.071,581 4.503,582 4.924,583 3.714,584 1727.14,585 8.609,586 24303.2,588 1,590 1,591 282.193,592 1.215,593 4.907,594 0.143,595 0.005,596 0.068,597 0.034,598 0.034,599 0.024,600 0.014,601 0.01,602 0.008,603 0.006,604 0.347,605 0.33,606 0.88,607 0.415,608 160.695,609 -0.052,610 -0.131,611 0.062,612 -0.019,613 -0.039,614 0.011,615 -0.034,616 0.082,617 -0.029,618 0.039,619 0.006,620 0.005,621 -0.095,622 0.031,623 0.06,624 0.019,625 -0.052,626 0.034,627 0.025,628 0.017,629 0.004,630 0.022,631 0.053,632 -0.007,633 -0.032,634 0.01,635 0.067,636 0.081,637 -0.03,638 0.12,639 -0.199,640 -0.016,641 -0.072,642 0.019,643 -0.174,644 -0.038,645 0.028,646 -0.123,647 -0.279,648 -0.205,649 -0.109,650 -0.245,651 -0.002,652 -0.273,653 -0.167,654 -0.307,655 -0.01,656 -0.203,657 1.921,658 5.687,659 0.871,660 32.214,661 1.015,662 1.111,663 2.579,664 6.649,665 0.711,666 3.584,667 3.912,668 4.22,669 4.511,670 4.762,671 4.868,672 5.056,673 5.209,674 5.323,675 5.425,676 7.025,677 0.686,678 433.52,679 3.584,680 5.13,681 5.994,682 6.878,683 7.76,684 8.653,685 9.544,686 10.442,687 11.339,688 12.241,689 6,692 1,696 1,699 1,704 9,705 1,708 1,709 6,711 17,716 1,718 1,729 1,731 50,733 20,734 1,735 35,737 54,738 23,739 15,740 2,741 4,742 4,746 5,747 6,761 19,762 4,766 3,771 2,773 1,775 3,778 1,781 19,782 7,783 1,784 8,785 1,790 3,794 0.8,795 4,805 1,811 1,812 4,815 1,831 1,836 1,839 1,840 4,842 1,848 31,854 4,855 1,856 2,859 1,865 1,870 8,873 2,874 1,875 1,877 14.833,878 9.067,879 6.75,880 2.957,881 3.559,882 1.432,883 1.022,884 5.64,885 11.803,886 3.861,887 4.434,888 5.02,889 5.591,890 6.081,891 6.387,892 6.817,893 7.212,894 7.569,895 7.891,896 1,897 50,898 11.505,900 5.031,901 7.801,902 21.789,904 18.134,905 2.301,906 71.333,909 1,910 211.88,911 170.32,912 37.921,914 72.29,916 31.278,917 139.042,918 284.169,919 37.921,921 31.407,922 83.459,923 99.685,924 42.786,925 15.457,926 219.615,928 211.88,929 176.962,930 72.29,931 31.278,933 211.88,934 61.29,935 11,937 43.579,938 107.122,939 26.262,940 31.278,941 211.88,942 110.21,943 170.32,946 211.88,947 77.813,948 95.631,949 18.011,950 89.075,951 211.88,952 110.21,953 170.32,955 0.579,956 0.343,957 0.191,958 0.105,959 25,960 10,961 0.074,962 4,963 1,964 1.074,965 4.283,966 291.387,967 0.074,968 27,969 149.58,970 1,974 20.068,975 8.713,976 4.171,978 110.21,979 16.104,980 4.128,983 1.348,984 3.688,986 18.011,987 492.41,988 46.5,993 25.36,995 1.546,997 0.225,999 50.76,1000 55.574,1001 0.3,1002 0.689,1003 0.845,1004 0.915,1005 0.929,1006 0.929,1007 5.101,1008 1.523,1009 5.969,1010 4.671,1011 4.595,1012 5.121,1013 2.06,1014 6.788,1015 4.498,1016 6.294,1017 1.335,1018 7.527,1019 3.752,1020 4.111,1021 4.82,1022 0.325,1023 7.687,1024 4.012,1025 7.594,1026 1.257,1027 9.188,1028 3.089,1029 6.188,1030 7.262,1031 2.061,1032 10.824,1033 6.013,1034 8.931,1035 1,1036 10.912,1037 2.928,1038 6.567,1039 7.825,1040 0.424,1041 12.582,1042 6.379,1043 10.302,1044 1,1045 12.677,1046 2.62,1047 8.081,1048 9.704,1049 2.136,1050 15.222,1051 7.831,1052 11.699,1053 1,1054 14.469,1055 2.394,1056 8.86,1057 10.682,1058 0.581,1059 17.336,1060 8.585,1061 13.115,1062 1,1063 16.282,1064 2.136,1065 10.143,1066 12.316,1067 2.247,1068 19.811,1069 9.818,1070 3.248,1071 0.776,1072 18.109,1073 2.136,1074 11.115,1075 13.508,1076 0.788,1077 22.083,1078 10.754,1079 2.893,1080 11.311,1081 19.948,1082 2.086,1083 12.307,1084 15.031,1085 2.381,1086 24.507,1087 11.9,1088 2.75,1089 9.235,1090 21.797,1091 4.29,1092 13.371,1093 16.337,1094 1.027,1095 26.854,1096 12.923,1097 2.537,1098 8.798,1099 23.653,1100 3.787,1101 14.53,1102 17.811,1103 2.531,1104 29.265,1105 14.037,1106 2.364,1107 8.115,1108 25.515,1109 3.465,1110 15.639,1111 19.179,1112 1.284,1113 31.648,1114 15.102,1115 1.894,1116 6.88,1117 27.384,1118 3.303,1119 16.791,1120 20.632,1121 2.693,1122 34.059,1123 16.208,1124 1.819,1125 5.601,1126 29.257,1127 2.991,1128 17.924,1129 22.034,1130 1.553,1131 36.46,1132 17.295,1133 12649,1134 21724,1135 24.156,1136 35.574,1137 53.43,1138 55.095,1139 53.537,1140 52.723,1141 52.792,1142 68.578,1143 7.398,1144 151.501,1145 50.091,1146 5.596,1147 5.649,1148 6.628,1149 5.338,1150 5.248,1151 7.29,1152 2.22,1153 18.698,1154 5.1,1155 10.088,1156 1.527,1157 1.574,1158 1.53,1159 1.506,1160 1.508,1161 1.959,1162 0.211,1163 4.329,1164 1.431,1165 4.055,1166 4.062,1167 4.277,1168 4.034,1169 7.431,1170 4.001,1171 3.886,1172 3.919,1173 3.878,1174 3.789,1175 7.427,1176 3.781,1177 3.826,1178 3.866,1179 3.762,1180 3.72,1181 4.914,1182 3.722,1183 3.718,1184 3.744,1185 3.703,1186 3.563,1187 4.866,1188 3.562,1189 3.378,1190 3.396,1191 3.372,1192 3.243,1193 4.666,1194 3.248,1195 3.263,1196 3.297,1197 3.259,1198 3.078,1199 4.58,1200 3.096,1201 3.111,1202 3.206,1203 2.937,1204 2.941,1205 4.215,1206 2.91,1207 2.931,1208 2.948,1209 2.866,1210 2.772,1211 3.938,1212 2.748,1213 0.131,1214 0.104,1215 0.195,1216 0.12,1217 0.093,1218 4.596,1219 0.123,1220 3.649,1221 0.033,1222 6.826,1223 0.323,1224 4.2,1225 0.089,1226 3.248,1227 4.29,1228 1.138,1229 11.311,1230 3.1,1231 1.941,1232 1.923,1233 2.027,1234 2.034,1235 1.207,1236 2.029,1237 1.812,1238 1.774,1239 1.936,1240 1.989,1241 1.144,1242 1.974,1243 1.771,1244 1.744,1245 1.927,1246 1.935,1247 0.935,1248 1.938,1249 1.576,1250 1.552,1251 1.67,1252 1.75,1253 0.825,1254 1.731,1255 1.374,1256 1.37,1257 1.513,1258 1.497,1259 0.806,1260 1.485,1261 1.165,1262 1.131,1263 1.417,1264 1.376,1265 0.61,1266 1.429,1267 1.153,1268 1.064,1269 1.318,1270 1.346,1271 0.353,1272 1.366,1273 1.007,1274 0.995,1275 1.119,1276 1.153,1277 0.321,1278 1.156,1279 4.263,1281 5.587,1282 2.398,1283 7.114,1284 4.727,1285 8.729,1286 6.862,1287 10.391,1295 2.561,1296 2.79,1297 11.567,1300 2.016,1305 34.325,1306 84.685,1307 194.567,1308 238.541,1309 258.193,1310 262.193,1311 262.193,1312 52.344,1313 8.244,1314 84.67,1315 112.91,1316 29,1317 12.763,1318 4.392,1319 3.644,1320 43.6,1321 129,1322 139,1323 0.163,1324 209.725,1325 369.59,1326 503.488,1327 48319,1329 21.209,1330 0.684,1331 0.56,1332 21.562,1333 17.354,1334 15.187,1335 0.434,1336 0.308,1337 9.818,1338 14.119,1339 9.587,1340 7.85,1341 15.641,1342 10.777,1343 13.58,1344 0.277,1345 0.163,1346 14.104,1347 7.985,1348 11.825,1349 0.176,1350 0.091,1351 12.595,1352 6.071,1353 10.174,1354 0.113,1355 0.049,1356 11.024,1357 4.435,1358 8.331,1359 0.072,1360 0.026,1361 9.045,1362 2.993,1363 0.255,1364 100.07,1365 0.203,1366 29.092,1367 0.447,1368 168,1369 535.426,1370 208.042,1371 527.619,1372 720.49,1373 496,1374 200,1375 512.117,1376 241.056,1377 527.914,1378 780.4,1379 498,1380 7.18}
{0 CHEMBL2326965,1 1.517,2 8.478,3 4.241,4 17.989,5 96.655,6 8.086,7 0.462,8 3.804,9 3.895,10 3.463,11 3.428,12 4.854,13 3.394,14 4.347,15 4.484,16 3.831,17 3.825,18 5.36,19 3.771,20 4.588,21 4.768,22 3.933,23 3.979,24 5.545,25 3.888,26 4.563,27 4.735,28 3.924,29 3.941,30 5.557,31 3.84,32 4.547,33 4.735,34 3.87,35 3.937,36 5.522,37 3.816,38 4.461,39 4.635,40 3.784,41 3.919,42 5.432,43 3.763,44 4.372,45 4.55,46 3.61,47 3.797,48 5.346,49 3.625,50 4.298,51 4.531,52 3.182,53 3.562,54 5.121,55 3.37,56 0.007,57 0.499,58 7.191,59 3.706,60 4.729,61 4.536,62 0.185,63 0.885,64 14.967,65 6.413,66 15.151,67 7.565,68 0.25,69 1.139,70 22.455,71 9.03,72 21.99,73 10.694,74 0.205,75 1.09,76 23.201,77 9.223,78 27.1,79 10.743,80 0.304,81 1.072,82 22.969,83 9.356,84 28.431,85 11.015,86 0.133,87 1.046,88 23.75,89 9.391,90 21.987,91 10.601,92 0.125,93 0.97,94 23.098,95 8.785,96 23.865,97 9.897,98 0.076,99 0.859,100 18.166,101 7.548,102 17.837,103 9.715,104 2,105 36,106 0.267,107 0.562,108 0.674,109 0.762,110 0.815,111 0.815,112 3.19,113 0.945,114 -4.52,115 -4.44,116 -4.19,119 47.5,125 4,135 1,139 1,142 8,143 3,144 1,157 1,172 11,174 1,175 4,183 14,186 1,187 3,195 12,199 5,207 10,211 1,212 6,220 9,224 4,232 6,237 4,245 3,250 4,258 1,263 3,275 696,276 16.052,277 16.052,278 16.052,279 16.052,280 16.052,281 14.337,282 13.163,283 9.684,284 16.475,285 12.881,286 12.881,287 12.881,288 12.881,289 12.881,290 10.246,291 16.221,292 4.62,293 13.587,294 3.805,295 2.132,296 1.5,297 1,298 0.7,299 0.7,300 3.894,304 1,305 1,306 432,307 1.871,311 226.251,315 87.589,318 1.195,319 14.475,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 195,332 4.563,333 3.803,334 6.805,335 4.182,336 3.22,337 4.235,338 1.138,339 11.241,340 3.107,341 4.105,342 3.266,343 6.168,344 3.748,345 2.804,346 3.569,347 0.86,348 9.13,349 2.654,350 3.843,351 3.035,352 5.977,353 3.529,354 2.573,355 3.161,356 0.643,357 8.358,358 2.434,359 3.448,360 2.482,361 5.091,362 2.972,363 2.008,364 2.747,366 5.74,367 1.929,368 3.037,369 2.298,370 4.539,371 2.732,372 1.829,373 2.146,375 4.675,376 1.649,377 2.918,378 1.801,379 4.227,380 2.463,381 1.504,382 2.042,384 3.737,385 1.426,386 2.828,387 1.683,388 3.804,389 2.38,390 1.417,391 1.893,393 3.138,394 1.359,395 2.515,396 1.408,397 3.525,398 2.069,399 1.139,400 1.5,402 2.708,403 1.051,404 2.5,405 1.256,406 3.457,407 2,408 1,409 1.488,411 2.362,412 1,413 2.206,414 1.18,415 3.247,416 1.952,417 1,418 1.138,420 2.136,421 0.946,422 2,423 1,424 3.247,425 1.861,426 0.936,427 1,428 2.136,429 0.854,430 1.427,431 0.648,432 2.788,433 0.88,434 -0.029,435 -0.038,436 -0.076,437 -0.026,438 0.919,439 -0.054,440 2.655,441 0.464,442 -0.491,443 -0.592,445 -1.281,446 -0.447,447 0.775,448 -0.36,449 2.417,450 0.395,451 -0.546,452 -0.748,454 -1.29,455 -0.527,456 0.562,457 -0.454,458 2.211,459 0.178,460 -0.76,461 -0.855,463 -1.88,464 -0.704,465 11.4,466 0.496,467 0.432,468 0.019,469 30.25,470 1.315,471 15.5,472 0.674,473 14.75,474 0.641,475 16.969,476 0.738,477 23.4,478 0.585,479 20.847,480 0.906,481 6.129,482 0.266,483 5.198,484 0.226,485 0.073,487 0.298,493 0.851,494 1.106,495 0.612,496 0.87,497 0.729,498 0.858,499 1.326,500 0.903,501 0.788,502 0.769,503 1.004,504 0.846,505 1.24,506 0.847,507 0.891,508 0.818,509 1.015,510 0.855,511 1.244,512 1.052,513 0.941,514 1.023,515 1.048,516 0.978,517 1.104,518 0.858,519 0.928,520 0.832,521 1.062,522 0.865,523 0.882,524 1.152,525 1.446,526 1.289,527 1.236,528 1.143,529 0.711,530 1.315,531 1.621,532 1.546,533 1.198,534 1.33,535 0.538,536 1.201,537 1.08,538 1.219,539 0.816,540 1.276,541 3,542 0.016,543 2.444,544 1.313,545 1.08,546 0.903,547 0.487,548 0.196,549 0.061,550 0.023,551 5444,552 13788,553 2.196,554 42.5,556 17,564 1.664,565 2.123,566 3.092,567 -0.815,569 1,573 60.68,574 1.517,575 3.19,576 3.822,577 4.322,578 4.622,579 4.622,580 2.475,581 3.882,582 4.496,583 3.169,584 801.674,585 7.774,586 8784.54,588 1,590 1,591 212.877,592 1.121,593 4.483,594 0.115,595 0.004,596 0.068,597 0.035,598 0.031,599 0.027,600 0.016,601 0.008,602 0.004,603 0.003,604 0.31,605 0.67,606 1,607 0.393,608 105.068,609 0.007,610 -0.139,611 0.046,612 -0.059,613 -0.023,614 -0.004,615 -0.074,616 0.112,617 -0.02,618 0.068,619 -0.085,620 0.018,621 -0.059,622 0.157,623 0.019,624 0.105,625 -0.026,626 0.072,627 -0.049,628 -0.094,629 0.038,630 -0.046,631 0.046,632 -0.029,633 0.04,634 0.107,635 0.069,636 0.16,637 0.021,638 0.102,639 -0.104,640 -0.121,641 -0.205,642 -0.144,643 -0.174,644 -0.151,645 -0.05,646 -0.274,647 -0.332,648 -0.373,649 -0.146,650 -0.327,651 0.019,652 -0.252,653 -0.159,654 -0.263,655 -0.052,656 -0.262,657 0.842,658 2.771,659 0.957,660 16.163,661 0.998,662 1.104,663 3.289,664 10.818,665 0.716,666 3.296,667 3.611,668 3.932,669 4.234,670 4.522,671 4.585,672 4.771,673 4.875,674 4.956,675 4.942,676 5.05,677 0.671,678 323.44,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.358,685 9.252,686 10.151,687 11.05,688 11.952,689 2.5,692 1,704 8,709 4,711 12,729 1,731 40,733 14,734 2,735 26,737 43,738 19,739 12,740 4,741 8,742 3,746 4,747 5,759 1,761 15,762 4,766 2,772 1,773 1,775 2,778 1,781 17,782 3,784 4,785 1,790 1,794 0.75,795 2,812 4,816 1,831 1,836 1,839 1,840 3,842 1,848 23,854 4,856 2,859 1,870 5,874 1,875 1,877 10.833,878 7.2,879 5.056,880 2.458,881 2.71,882 1.37,883 1.017,884 4.06,885 10.044,886 3.555,887 4.111,888 4.705,889 5.283,890 5.847,891 6.105,892 6.554,893 6.917,894 7.241,895 7.466,896 0.833,897 38,898 8.492,900 3.613,901 7.529,902 16.576,904 13.828,905 2.029,906 46.667,909 1,910 200.109,911 164.631,912 3.124,914 22,916 45.192,917 119.439,918 222.109,919 3.124,921 13.396,922 85.286,923 12.142,924 33.739,926 200.109,927 45.192,928 200.109,929 122.564,930 22,931 45.192,933 200.109,934 11,935 11,937 16.52,938 96.567,939 9.476,940 45.192,941 200.109,942 25.124,943 164.631,946 200.109,947 34.153,948 88.411,950 67.192,951 200.109,952 25.124,953 164.631,955 0.573,956 0.344,957 0.199,958 0.114,959 19,960 7,961 0.047,962 2,963 1,964 1.091,965 3.526,966 195.198,967 0.091,968 22,969 96.042,971 1,974 14.729,975 6.34,976 2.865,978 25.124,979 16.413,984 4.047,987 389.864,988 34,994 5.602,995 1.956,997 1.653,999 39.902,1000 44.159,1001 0.285,1002 0.599,1003 0.718,1004 0.812,1005 0.868,1006 0.868,1007 4.787,1008 1.139,1009 5.659,1010 3.138,1011 4.29,1012 4.796,1013 1.724,1014 6.485,1015 4.191,1016 5.967,1017 1,1018 7.217,1019 2.708,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.603,1025 7.262,1026 1,1027 8.884,1028 2.362,1029 5.878,1030 6.925,1031 1.676,1032 10.571,1033 5.694,1034 8.596,1035 0.936,1036 10.619,1037 2.136,1038 6.236,1039 7.449,1040 0.424,1041 12.371,1042 6,1043 9.967,1044 -0.029,1045 12.397,1046 2.136,1047 7.779,1048 9.369,1049 1.733,1050 15.027,1051 7.518,1052 11.365,1053 -0.491,1054 14.205,1055 -0.076,1056 8.558,1057 10.325,1058 0.581,1059 17.17,1060 8.251,1061 12.784,1062 -0.546,1063 16.033,1064 -1.281,1065 9.859,1066 11.99,1067 1.843,1068 19.658,1069 9.526,1070 3.22,1071 -0.76,1072 17.875,1073 -1.29,1074 10.837,1075 13.172,1076 0.788,1077 21.948,1078 10.463,1079 2.804,1080 11.241,1081 19.728,1082 -1.88,1083 12.04,1084 14.716,1085 1.986,1086 24.379,1087 11.638,1088 2.573,1089 9.13,1090 21.59,1091 4.235,1092 13.111,1093 16.016,1094 1.027,1095 26.734,1096 12.671,1097 2.008,1098 8.358,1099 23.459,1100 3.569,1101 14.278,1102 17.503,1103 2.153,1104 29.148,1105 13.808,1106 1.829,1107 5.74,1108 25.332,1109 3.161,1110 15.393,1111 18.867,1112 1.284,1113 31.533,1114 14.888,1115 1.504,1116 4.675,1117 27.211,1118 2.747,1119 16.548,1120 20.327,1121 2.337,1122 33.945,1123 16.012,1124 1.417,1125 3.737,1126 29.094,1127 2.146,1128 17.685,1129 21.726,1130 1.553,1131 36.345,1132 17.115,1133 5114,1134 8242,1135 18.087,1136 28.654,1137 39.395,1138 40.852,1139 39.289,1140 38.96,1141 38.858,1142 49.839,1143 5.281,1144 110.718,1145 36.817,1146 5.563,1147 5.803,1148 6.607,1149 5.287,1150 5.22,1151 7.235,1152 2.22,1153 18.616,1154 5.107,1155 5.635,1156 1.515,1157 1.571,1158 1.511,1159 1.498,1160 1.495,1161 1.917,1162 0.203,1163 4.258,1164 1.416,1165 4.046,1166 4.06,1167 4.099,1168 4,1169 5.016,1170 3.992,1171 3.833,1172 3.87,1173 3.829,1174 3.763,1175 4.749,1176 3.747,1177 3.733,1178 3.773,1179 3.648,1180 3.562,1181 4.622,1182 3.573,1183 3.407,1184 3.43,1185 3.535,1186 3.357,1187 4.494,1188 3.313,1189 3.111,1190 3.206,1191 3.126,1192 2.941,1193 4.358,1194 2.91,1195 3.008,1196 3.034,1197 2.866,1198 2.914,1199 3.766,1200 2.905,1201 2.854,1202 2.925,1203 2.825,1204 2.735,1205 3.674,1206 2.715,1207 2.848,1208 2.898,1209 2.687,1210 2.733,1211 3.66,1212 2.695,1213 0.175,1214 0.146,1215 0.262,1216 0.161,1217 0.124,1218 4.563,1219 0.163,1220 3.803,1221 0.044,1222 6.805,1223 0.432,1224 4.182,1225 0.119,1226 3.22,1227 4.235,1228 1.138,1229 11.241,1230 3.107,1231 2.008,1232 1.995,1233 2.084,1234 2.078,1235 1.233,1236 2.081,1237 1.812,1238 1.787,1239 1.941,1240 1.962,1241 1.183,1242 1.961,1243 1.69,1244 1.638,1245 1.876,1246 1.849,1247 0.975,1248 1.864,1249 1.386,1250 1.365,1251 1.513,1252 1.51,1253 0.825,1254 1.522,1255 1.153,1256 1.064,1257 1.499,1258 1.376,1259 0.613,1260 1.429,1261 0.989,1262 0.958,1263 1.181,1264 1.117,1265 0.291,1266 1.14,1267 0.886,1268 0.821,1269 1.173,1270 1.062,1271 0.218,1272 1.107,1273 0.792,1274 0.752,1275 1.053,1276 1.043,1277 0.218,1278 1.054,1279 3.97,1281 5.283,1283 6.821,1285 8.459,1287 10.149,1295 3.107,1297 11.694,1300 2.195,1305 26.853,1306 60.68,1307 127.593,1308 152.877,1309 172.877,1310 184.877,1311 184.877,1312 26.781,1313 7.334,1314 25.61,1315 57.7,1316 24,1317 12.473,1318 3.907,1319 3.17,1320 31.605,1321 68,1322 70,1323 0.228,1324 165.95,1325 291.99,1326 396.678,1327 14250,1329 15.648,1330 0.68,1331 0.588,1332 16.148,1333 13.513,1334 11.326,1335 0.436,1336 0.315,1337 7.718,1338 10.708,1339 7.542,1340 6.178,1341 11.615,1342 8.186,1343 9.927,1344 0.276,1345 0.168,1346 10.298,1347 6.036,1348 8.727,1349 0.175,1350 0.09,1351 9.059,1352 4.487,1353 7.627,1354 0.112,1355 0.047,1356 7.986,1357 3.211,1358 6.528,1359 0.072,1360 0.025,1361 6.842,1362 2.284,1363 0.343,1364 73.237,1365 0.235,1366 22.063,1367 0.672,1368 124,1369 335.977,1370 146.423,1371 344.62,1372 476.53,1373 326,1374 148,1375 341.097,1376 168.604,1377 352.461,1378 523.17,1379 334,1380 5.997}
{0 CHEMBL2326967,1 1.663,2 9.28,3 3.881,4 15.059,5 98.463,6 8.596,7 0.517,8 3.867,9 3.951,10 3.616,11 3.486,12 4.952,13 3.462,14 4.416,15 4.539,16 4.009,17 3.9,18 5.487,19 3.863,20 4.623,21 4.789,22 4.068,23 3.961,24 5.666,25 3.91,26 4.603,27 4.777,28 3.957,29 3.922,30 5.685,31 3.844,32 4.541,33 4.733,34 3.846,35 3.834,36 5.526,37 3.743,38 4.378,39 4.522,40 3.88,41 3.803,42 5.536,43 3.729,44 4.408,45 4.538,46 3.809,47 3.789,48 5.581,49 3.672,50 4.233,51 4.419,52 3.426,53 3.532,54 5.204,55 3.408,56 0.05,57 0.574,58 6.98,59 3.861,60 4.804,61 4.198,62 0.257,63 0.995,64 15.664,65 6.88,66 15.418,67 7.249,68 0.407,69 1.202,70 22.116,71 8.594,72 25.388,73 9.342,74 0.47,75 1.163,76 22.054,77 8.8,78 35.769,79 10.19,80 0.426,81 1.078,82 23.738,83 8.93,84 30.568,85 10.162,86 0.277,87 0.922,88 15.953,89 7.213,90 31.457,91 7.837,92 0.396,93 0.979,94 22.679,95 8.459,96 42.127,97 7.853,98 0.212,99 0.846,100 20.573,101 7.159,102 16.919,103 7.633,104 2,105 42,106 0.288,107 0.678,108 0.787,109 0.836,110 0.844,111 0.844,112 3.268,113 0.945,114 -3.19,115 -3.18,116 -3.06,119 46.3,125 4,135 1,139 1,142 5,143 2,144 1,151 1,152 3,157 1,172 5,174 1,175 4,180 4,183 7,186 1,187 2,192 2,195 6,198 2,199 3,202 1,204 2,207 5,211 1,212 3,220 3,224 4,227 2,229 1,232 3,236 1,237 5,245 3,250 5,258 2,263 5,266 1,271 2,275 866,276 17.447,277 17.447,278 17.447,279 17.447,280 17.447,281 15.476,282 13.258,283 10.251,284 18.003,285 14.369,286 14.369,287 14.369,288 14.369,289 14.369,290 11.232,291 16.375,292 4.91,293 15.277,294 3.694,295 1.445,296 0.82,297 0.537,298 0.488,299 0.488,300 3.985,303 1,304 1,305 1,306 528,307 2.121,310 90.947,311 186.833,314 173.953,318 1.434,319 22.615,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 232,332 4.629,333 3.649,334 6.833,335 4.213,336 3.263,337 4.477,338 1.138,339 11.344,340 3.106,341 4.407,342 3.183,343 6.302,344 3.936,345 2.969,346 4.165,347 0.86,348 9.62,349 2.869,350 4.003,351 3.104,352 6.106,353 3.657,354 2.731,355 3.354,356 0.643,357 8.927,358 2.542,359 3.707,360 2.832,361 5.861,362 3.391,363 2.399,364 2.973,366 7.925,367 2.349,368 3.227,369 2.387,370 5.01,371 2.774,372 1.821,373 2.458,375 5.413,376 1.742,377 3.032,378 2.107,379 4.537,380 2.7,381 1.79,382 2.298,384 4.67,385 1.594,386 2.985,387 1.756,388 4.414,389 2.513,390 1.532,391 2.04,393 4.312,394 1.501,395 2.855,396 1.532,397 4.069,398 2.383,399 1.394,400 1.962,402 3.21,403 1.375,404 2.567,405 1.439,406 3.754,407 2.084,408 1.261,409 1.58,411 2.94,412 1.027,413 2.361,414 1.263,415 3.587,416 1.952,417 1,418 1.291,420 2.642,421 0.946,422 2.17,423 1.256,424 3.443,425 1.915,426 1,427 1.029,428 2.136,429 0.901,430 2,431 1.019,432 3.247,433 1.655,434 0.764,435 1,436 2.085,437 0.659,438 1.847,439 0.407,440 3,441 1.321,442 0.347,443 0.521,445 0.86,446 0.338,447 1.225,448 0.347,449 2.703,450 0.685,451 -0.265,452 -0.349,454 -0.694,455 -0.238,456 0.742,457 -0.207,458 2.639,459 0.417,460 -0.539,461 -0.648,463 -1.345,464 -0.519,465 12.133,466 0.485,467 0.551,468 0.022,469 32.5,470 1.3,471 15.5,472 0.62,473 17,474 0.68,475 19.807,476 0.792,477 25.667,478 0.626,479 22.111,480 0.884,481 6.349,482 0.254,483 5.944,484 0.238,485 0.027,487 0.363,493 0.804,494 1.133,495 0.67,496 0.889,497 0.579,498 0.814,499 1.112,500 1.012,501 0.893,502 0.872,503 0.688,504 0.832,505 1.158,506 0.975,507 0.846,508 0.903,509 0.95,510 0.897,511 0.901,512 1,513 0.905,514 0.956,515 0.806,516 0.987,517 1.021,518 0.931,519 0.966,520 0.928,521 0.976,522 0.884,523 1.071,524 0.905,525 0.897,526 0.91,527 1.708,528 0.939,529 1.401,530 1.211,531 1.806,532 1.469,533 2.011,534 1.252,535 0.892,536 1.304,537 1.62,538 1.555,539 0.692,540 1.279,541 4,542 0.019,543 2.889,544 1.576,545 1.353,546 0.844,547 0.495,548 0.299,549 0.178,550 0.107,551 7447,552 19758,553 2.251,554 39,556 14,557 1,559 1,564 1.683,565 2.174,566 3.231,567 -0.317,569 1,573 68.194,574 1.663,575 3.912,576 4.538,577 4.821,578 4.87,579 4.87,580 2.695,581 4.004,582 4.616,583 3.339,584 1001.59,585 7.998,586 11660.9,588 1,590 1,591 219.66,592 1.159,593 4.603,594 0.138,595 0.002,596 0.069,597 0.038,598 0.037,599 0.026,600 0.015,601 0.01,602 0.008,603 0.007,604 0.349,605 0.5,606 0.88,607 0.372,608 118.493,609 -0.051,610 -0.099,611 0.07,612 0.001,613 -0.037,614 0.027,615 -0.104,616 0.034,617 -0.018,618 0.056,619 -0.019,620 0.038,621 -0.07,622 0.039,623 0.063,624 0.017,625 -0.05,626 0.021,627 0.123,628 -0.024,629 0.022,630 -0.013,631 0.106,632 -0.032,633 0.025,634 0.018,635 0.08,636 0.091,637 -0.024,638 0.123,639 -0.029,640 0.069,641 0.044,642 0.067,643 -0.094,644 -0.006,645 -0.162,646 -0.164,647 -0.42,648 -0.23,649 -0.211,650 -0.297,651 -0.075,652 -0.264,653 -0.341,654 -0.392,655 0.026,656 -0.259,657 1.657,658 5.541,659 0.96,660 19.706,661 1.011,662 1.109,663 1.962,664 3.848,665 0.716,666 3.401,667 3.761,668 4.111,669 4.443,670 4.691,671 4.852,672 5.05,673 5.236,674 5.328,675 5.429,676 5.562,677 0.684,678 352.44,679 3.401,680 4.963,681 5.849,682 6.753,683 7.657,684 8.569,685 9.48,686 10.396,687 11.311,688 12.229,689 4.9,692 1,697 1,703 2,704 6,706 1,708 1,709 4,711 15,716 1,729 1,731 41,733 17,734 1,735 29,737 45,738 19,739 12,740 2,741 4,742 3,746 5,747 7,761 15,762 4,766 2,771 1,773 1,775 2,778 1,781 16,782 4,783 1,784 6,785 1,790 2,794 0.6,795 3,807 1,811 2,812 3,815 2,831 1,836 1,839 1,840 3,842 1,848 25,854 4,856 2,859 1,865 1,870 7.3,873 1,874 1,875 1,877 11.5,878 7.45,879 5.333,880 2.493,881 3.443,882 1.432,883 1.066,884 3.733,885 11.415,886 3.676,887 4.311,888 4.972,889 5.615,890 6.111,891 6.573,892 7.046,893 7.539,894 7.849,895 8.209,896 1,897 41,898 9.279,900 4.116,901 7.647,902 17.938,904 15.438,905 2.147,906 53.667,909 1,910 176.567,911 136.39,912 19.91,914 47.145,916 31.278,917 105.112,918 223.711,919 19.91,921 13.396,922 64.507,923 41.278,924 46.726,925 18.03,926 196.073,928 176.567,929 125.022,930 47.145,931 31.278,933 176.567,934 36.145,935 11,937 33.306,938 82.24,939 9.476,940 31.278,941 176.567,942 67.055,943 136.39,946 176.567,947 71.883,948 67.631,949 16.786,950 47.145,951 176.567,952 67.055,953 136.39,955 0.587,956 0.354,957 0.202,958 0.11,959 24,960 9,961 0.044,962 2,963 2,964 1.167,965 3.77,966 226.718,967 0.167,968 24,969 110.096,970 1,974 15.318,975 6.092,976 2.631,977 2.215,978 50.269,979 12.219,981 3.42,983 1.431,984 3.217,986 16.786,987 380.011,988 38.5,993 12.541,995 1.596,997 0.631,999 41.447,1000 45.451,1001 0.31,1002 0.73,1003 0.847,1004 0.9,1005 0.909,1006 0.909,1007 4.933,1008 1.394,1009 5.838,1010 4.312,1011 4.443,1012 4.997,1013 1.724,1014 6.693,1015 4.332,1016 6.146,1017 1.261,1018 7.416,1019 3.21,1020 4.007,1021 4.832,1022 0.325,1023 7.644,1024 3.886,1025 7.468,1026 1,1027 9.097,1028 2.94,1029 6.071,1030 7.246,1031 1.676,1032 10.796,1033 5.871,1034 8.83,1035 1,1036 10.839,1037 2.642,1038 6.509,1039 7.984,1040 0.424,1041 12.598,1042 6.285,1043 10.229,1044 0.764,1045 12.621,1046 2.136,1047 8.011,1048 9.831,1049 1.733,1050 15.246,1051 7.725,1052 11.654,1053 0.347,1054 14.429,1055 2.085,1056 8.842,1057 10.976,1058 0.581,1059 17.385,1060 8.519,1061 13.098,1062 -0.265,1063 16.255,1064 0.86,1065 10.123,1066 12.601,1067 1.843,1068 19.866,1069 9.749,1070 3.263,1071 -0.539,1072 18.095,1073 -0.694,1074 11.132,1075 13.931,1076 0.788,1077 22.151,1078 10.714,1079 2.969,1080 11.344,1081 19.946,1082 -1.345,1083 12.329,1084 15.466,1085 1.986,1086 24.578,1087 11.863,1088 2.731,1089 9.62,1090 21.804,1091 4.477,1092 13.418,1093 16.878,1094 1.027,1095 26.93,1096 12.905,1097 2.399,1098 8.927,1099 23.669,1100 4.165,1101 14.585,1102 18.379,1103 2.153,1104 29.342,1105 14.025,1106 1.821,1107 7.925,1108 25.54,1109 3.354,1110 15.711,1111 19.828,1112 1.284,1113 31.726,1114 15.103,1115 1.79,1116 5.413,1117 27.415,1118 2.973,1119 16.87,1120 21.316,1121 2.337,1122 34.137,1123 16.214,1124 1.532,1125 4.67,1126 29.294,1127 2.458,1128 18.015,1129 22.784,1130 1.553,1131 36.538,1132 17.311,1133 6770,1134 11168,1135 20.285,1136 29.352,1137 45.063,1138 45.763,1139 45.016,1140 44.513,1141 44.543,1142 58.295,1143 5.281,1144 132.168,1145 41.895,1146 5.629,1147 5.649,1148 6.635,1149 5.353,1150 5.263,1151 7.477,1152 2.22,1153 18.774,1154 5.106,1155 6.051,1156 1.554,1157 1.578,1158 1.552,1159 1.535,1160 1.536,1161 2.01,1162 0.182,1163 4.558,1164 1.445,1165 4.149,1166 4.176,1167 4.288,1168 4.088,1169 7.428,1170 4.079,1171 3.932,1172 3.943,1173 4.026,1174 3.891,1175 5.002,1176 3.856,1177 3.744,1178 3.78,1179 3.708,1180 3.573,1181 4.799,1182 3.578,1183 3.439,1184 3.473,1185 3.379,1186 3.308,1187 4.602,1188 3.315,1189 3.244,1190 3.277,1191 3.299,1192 3.162,1193 4.33,1194 3.133,1195 3.111,1196 3.206,1197 2.876,1198 2.941,1199 4.124,1200 2.91,1201 2.942,1202 3.008,1203 2.866,1204 2.814,1205 3.772,1206 2.807,1207 2.907,1208 2.921,1209 2.814,1210 2.615,1211 3.677,1212 2.658,1213 0.16,1214 0.126,1215 0.236,1216 0.145,1217 0.113,1218 4.629,1219 0.154,1220 3.649,1221 0.039,1222 6.833,1223 0.391,1224 4.213,1225 0.107,1226 3.263,1227 4.477,1228 1.138,1229 11.344,1230 3.106,1231 1.927,1232 1.902,1233 2.027,1234 2.011,1235 1.206,1236 2.017,1237 1.791,1238 1.772,1239 1.937,1240 1.995,1241 1.134,1242 1.978,1243 1.653,1244 1.616,1245 1.757,1246 1.814,1247 0.917,1248 1.798,1249 1.542,1250 1.529,1251 1.603,1252 1.683,1253 0.825,1254 1.68,1255 1.153,1256 1.119,1257 1.513,1258 1.376,1259 0.754,1260 1.429,1261 1.135,1262 1.064,1263 1.241,1264 1.246,1265 0.404,1266 1.284,1267 1.019,1268 0.97,1269 1.22,1270 1.179,1271 0.33,1272 1.206,1273 0.975,1274 0.943,1275 1.079,1276 1.144,1277 0.288,1278 1.14,1279 4.078,1281 5.425,1282 3.045,1283 6.973,1284 5.416,1285 8.609,1286 7.545,1287 10.293,1295 2.779,1297 11.551,1300 2.066,1305 28.062,1306 68.194,1307 160.399,1308 186.05,1309 197.66,1310 199.66,1311 199.66,1312 32.833,1313 7.972,1314 58.47,1315 86.71,1316 28,1317 12.74,1318 4.17,1319 3.392,1320 31.989,1321 82,1322 82,1323 0.191,1324 169.347,1325 288.52,1326 404.967,1327 31971,1329 16.803,1330 0.672,1331 0.571,1332 17.156,1333 14.267,1334 12.293,1335 0.424,1336 0.315,1337 8.207,1338 11.363,1339 8.002,1340 6.516,1341 12.747,1342 9.136,1343 11.212,1344 0.267,1345 0.167,1346 11.736,1347 7.006,1348 10.113,1349 0.169,1350 0.092,1351 10.882,1352 5.549,1353 8.989,1354 0.107,1355 0.05,1356 9.839,1357 4.178,1358 7.314,1359 0.068,1360 0.026,1361 8.021,1362 2.801,1363 0.292,1364 81.675,1365 0.222,1366 23.869,1367 0.547,1368 142,1369 416.045,1370 178.051,1371 414.462,1372 576.77,1373 392,1374 173,1375 417.016,1376 210.731,1377 432.424,1378 646.14,1379 409,1380 7.114}
{0 CHEMBL2326968,1 1.748,2 10.038,3 2.822,4 7.962,5 101.253,6 9.105,7 0.379,8 3.898,9 3.958,10 3.815,11 3.547,12 4.97,13 3.49,14 4.469,15 4.58,16 4.114,17 3.932,18 5.766,19 3.88,20 4.685,21 4.824,22 4.176,23 4.019,24 5.894,25 3.962,26 4.667,27 4.812,28 4.045,29 3.997,30 5.901,31 3.913,32 4.659,33 4.853,34 3.904,35 3.899,36 5.726,37 3.793,38 4.448,39 4.611,40 3.879,41 3.817,42 5.566,43 3.715,44 4.351,45 4.453,46 3.968,47 3.789,48 5.653,49 3.671,50 4.367,51 4.506,52 3.845,53 3.665,54 5.648,55 3.546,56 0.119,57 0.597,58 8.686,59 4.858,60 17.955,61 4.641,62 0.476,63 1.032,64 20.07,65 8.422,66 53.888,67 8.075,68 0.648,69 1.226,70 25.22,71 10.008,72 64.502,73 9.607,74 0.602,75 1.181,76 23.724,77 10.3,78 58.343,79 10.731,80 0.656,81 1.172,82 27.232,83 10.32,84 66.189,85 11.452,86 0.406,87 0.972,88 20.566,89 8.639,90 48.341,91 9.029,92 0.427,93 0.921,94 22.644,95 8.676,96 49.901,97 7.438,98 0.524,99 0.906,100 22.217,101 8.412,102 51.031,103 8.084,104 18,105 43,106 0.302,107 0.657,108 0.781,109 0.797,110 0.797,111 0.797,112 3.305,113 1.127,114 -2.92,115 -2.93,116 -2.83,119 41.9,124 1,125 4,135 1,139 1,142 4,143 2,144 2,151 1,152 1,157 1,172 5,174 2,175 4,183 7,186 1,187 7,195 6,198 2,199 8,207 3,211 1,212 8,220 3,224 6,232 2,236 1,237 5,245 2,249 2,250 4,263 2,275 992,276 17.264,277 17.264,278 17.264,279 17.264,280 17.264,281 15.406,282 16.411,283 9.915,284 18.013,285 14.322,286 14.322,287 14.322,288 14.322,289 14.322,290 11.303,291 18.859,292 4.7,293 15.564,294 3.678,295 1.618,296 0.901,297 0.808,298 0.808,299 0.808,300 3.998,304 1,305 1,306 566,307 3.162,310 55.95,311 221.401,314 101.569,318 1.586,319 38.337,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57.5,331 261,332 4.803,333 5.18,334 7.112,335 4.216,336 3.321,337 4.663,338 2.95,339 11.662,340 3.087,341 4.586,342 3.648,343 6.822,344 4.152,345 3.233,346 4.273,347 1.138,348 11.291,349 2.837,350 4.089,351 3.179,352 6.164,353 3.739,354 2.798,355 3.532,356 0.86,357 9.12,358 2.651,359 3.829,360 3.034,361 5.958,362 3.505,363 2.541,364 3.163,365 0.643,366 8.29,367 2.403,368 3.457,369 2.663,370 5.104,371 2.994,372 2,373 2.73,375 5.827,376 1.967,377 3.059,378 2.416,379 4.63,380 2.701,381 1.819,382 2.211,384 4.721,385 1.595,386 2.967,387 2.228,388 4.537,389 2.55,390 1.576,391 1.993,393 4.665,394 1.518,395 2.576,396 1.766,397 4.068,398 2.087,399 1.264,400 1.593,402 3.046,403 1.03,404 2.5,405 1.32,406 3.754,407 2,408 1.033,409 1.5,411 2.857,412 1,413 2.409,414 1.256,415 3.444,416 1.968,417 1,418 1.342,420 2.275,421 0.953,422 2.177,423 1.248,424 3.414,425 1.952,426 1,427 1.053,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.679,434 0.805,435 1,436 2.131,437 0.68,438 1.254,439 0.757,440 2.843,441 0.724,442 -0.218,443 -0.283,445 -0.56,446 -0.195,447 1,448 0.406,449 2.696,450 0.522,451 -0.456,452 -0.609,454 -1.19,455 -0.436,456 0.942,457 -0.057,458 2.551,459 0.332,460 -0.605,461 -0.69,463 -1.44,464 -0.566,465 12.733,466 0.49,467 0.826,468 0.032,469 33.5,470 1.288,471 16.5,472 0.635,473 17,474 0.654,475 21.49,476 0.827,477 28.067,478 0.653,479 25.051,480 0.964,481 6.318,482 0.243,483 6.113,484 0.235,485 0.118,486 0.065,487 0.306,493 0.614,494 1.196,495 0.756,496 1.085,497 0.606,498 0.892,499 0.951,500 0.948,501 0.997,502 0.942,503 0.583,504 0.817,505 1.216,506 0.896,507 0.909,508 0.87,509 1.074,510 0.888,511 0.959,512 1.034,513 0.93,514 0.972,515 0.865,516 1.065,517 0.919,518 0.89,519 0.812,520 0.804,521 0.828,522 0.908,523 0.95,524 0.926,525 0.903,526 0.88,527 0.926,528 0.917,529 1.036,530 1.256,531 1.312,532 1.319,533 1.248,534 1.25,535 0.815,536 1.267,537 1.227,538 1.389,539 1.005,540 1.277,541 6,542 0.153,543 3.778,544 1.785,545 1.348,546 1.122,547 0.705,548 0.418,549 0.26,550 0.217,551 7778,552 26070,553 2.092,554 39.5,556 16,557 1,564 1.692,565 1.938,566 3.295,567 -0.684,568 1,569 1,573 75.174,574 1.748,575 3.809,576 4.525,577 4.618,578 4.618,579 4.618,580 2.749,581 4.104,582 4.67,583 3.469,584 1127.43,585 8.099,586 13703.2,588 1,590 1,591 233.329,592 1.619,593 4.616,594 0.207,595 0.01,596 0.088,597 0.042,598 0.035,599 0.034,600 0.022,601 0.014,602 0.01,603 0.013,604 0.474,605 0.5,606 1,607 0.777,608 126.036,609 0.035,610 -0.126,611 0.164,612 -0.042,613 -0.102,614 0.018,615 -0.021,616 0.114,617 -0.051,618 0.052,619 0.155,620 0.093,621 -0.169,622 0.106,623 -0.034,624 0.042,625 -0.111,626 0.027,627 -0.027,628 -0.088,629 -0.096,630 -0.072,631 -0.011,632 -0.118,633 -0.021,634 0.034,635 0.058,636 0.088,637 -0.066,638 0.095,639 -0.107,640 0.041,641 0.019,642 0.078,643 -0.066,644 0.069,645 -0.082,646 -0.202,647 -0.182,648 -0.19,649 -0.1,650 -0.306,651 0.146,652 -0.257,653 -0.099,654 -0.294,655 0.002,656 -0.291,657 4.165,658 5.486,659 0.808,660 23.408,661 1.022,662 1.109,663 1.694,664 2.869,665 0.713,666 3.401,667 3.784,668 4.06,669 4.331,670 4.575,671 4.745,672 4.934,673 5.043,674 5.147,675 5.268,676 6.01,677 0.679,678 391.5,679 3.401,680 4.977,681 5.844,682 6.749,683 7.635,684 8.544,685 9.439,686 10.35,687 11.25,688 12.163,689 2.3,692 1,704 5,708 1,709 5,711 11,716 1,729 1,731 43,733 15,734 1,735 29,737 46,738 18,739 10,740 2,741 4,742 3,746 4,747 5,761 13,762 5,766 4,769 1,771 3,773 1,775 2,778 1,781 17,782 6,784 8,785 2,790 1,794 0.75,795 5,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 2,844 1,848 26,851 1,854 4,856 2,859 1,865 1,870 11.6,873 3,874 1,875 1,877 13.417,878 8.117,879 5.472,880 2.458,881 2.701,882 1.353,883 1.011,884 4.632,885 10.345,886 3.676,887 4.314,888 4.841,889 5.399,890 5.871,891 6.306,892 6.758,893 7.086,894 7.451,895 7.833,896 0.857,897 43,898 9.836,900 4.52,901 7.978,902 18.331,904 15.695,905 2.478,906 64.417,909 1,910 200.109,911 137.412,912 3.124,914 91.458,916 37.324,917 100.089,918 291.566,919 3.124,920 7.19,921 13.396,922 61.076,923 85.591,924 32.104,925 13.13,926 219.615,928 200.109,929 103.213,930 91.458,931 37.324,933 200.109,934 80.458,935 11,937 16.52,938 77.216,939 15.522,940 31.278,941 200.109,942 94.582,943 137.412,945 6.046,946 200.109,947 69.146,948 65.345,950 91.458,951 200.109,952 94.582,953 137.412,955 0.6,956 0.344,957 0.178,958 0.096,959 23,960 10,961 0.065,962 3,963 1,964 1.095,965 3.723,966 229.107,967 0.095,968 21,969 112.211,970 1,973 1,974 17.712,975 6.8,976 3.468,978 94.582,979 8.475,983 1.333,984 2.958,987 432.103,988 38.5,991 -3.248,993 35.753,995 1.528,997 0.468,999 43.96,1000 47.707,1001 0.322,1002 0.702,1003 0.834,1004 0.851,1005 0.851,1006 0.851,1007 4.954,1008 1.264,1009 5.883,1010 4.665,1011 4.466,1012 5.001,1013 3.136,1014 6.767,1015 4.312,1016 6.205,1017 1.033,1018 7.497,1019 3.046,1020 4.29,1021 5.139,1022 0.325,1023 7.972,1024 4.032,1025 7.57,1026 1,1027 9.223,1028 2.857,1029 6.18,1030 7.317,1031 5.055,1032 11.011,1033 5.866,1034 8.977,1035 1,1036 11.014,1037 2.275,1038 6.804,1039 8.275,1040 0.424,1041 12.992,1042 6.365,1043 10.42,1044 0.805,1045 12.846,1046 2.136,1047 8.227,1048 10.003,1049 7.188,1050 15.613,1051 7.732,1052 11.887,1053 -0.218,1054 14.706,1055 2.131,1056 9.176,1057 11.288,1058 0.581,1059 17.873,1060 8.558,1061 13.373,1062 -0.456,1063 16.584,1064 -0.56,1065 10.436,1066 12.869,1067 9.348,1068 20.366,1069 9.751,1070 3.321,1071 -0.605,1072 18.475,1073 -1.19,1074 11.519,1075 14.287,1076 0.788,1077 22.733,1078 10.722,1079 3.233,1080 11.662,1081 20.377,1082 -1.44,1083 12.723,1084 15.821,1085 11.511,1086 25.187,1087 11.849,1088 2.798,1089 11.291,1090 22.286,1091 4.663,1092 13.863,1093 17.295,1094 1.027,1095 27.596,1096 12.886,1097 2.541,1098 9.12,1099 24.202,1100 4.273,1101 15.049,1102 18.816,1103 13.675,1104 30.039,1105 13.991,1106 2,1107 8.29,1108 26.123,1109 3.532,1110 16.212,1111 20.315,1112 1.284,1113 32.466,1114 15.06,1115 1.819,1116 5.827,1117 28.047,1118 3.163,1119 17.395,1120 21.834,1121 15.838,1122 34.907,1123 16.159,1124 1.576,1125 4.721,1126 29.976,1127 2.73,1128 18.57,1129 23.346,1130 1.553,1131 37.343,1132 17.246,1133 7443,1134 13763,1135 19.186,1136 30.665,1137 45.043,1138 47.787,1139 45.334,1140 44.823,1141 44.78,1142 58.107,1143 11.181,1144 136.043,1145 41.332,1146 5.803,1147 7.18,1148 6.913,1149 5.354,1150 5.321,1151 7.663,1152 5.9,1153 19.036,1154 5.087,1155 13.11,1156 1.553,1157 1.648,1158 1.563,1159 1.546,1160 1.544,1161 2.004,1162 0.386,1163 4.691,1164 1.425,1165 4.106,1166 4.089,1167 4.735,1168 4.118,1169 7.716,1170 4.04,1171 3.955,1172 3.937,1173 4.271,1174 3.954,1175 7.428,1176 3.866,1177 3.765,1178 3.797,1179 3.714,1180 3.604,1181 6.999,1182 3.598,1183 3.599,1184 3.598,1185 3.667,1186 3.514,1187 4.877,1188 3.467,1189 3.312,1190 3.328,1191 3.367,1192 3.217,1193 4.658,1194 3.2,1195 3.111,1196 3.206,1197 2.916,1198 2.941,1199 4.576,1200 2.91,1201 2.919,1202 2.935,1203 2.866,1204 2.735,1205 4.207,1206 2.715,1207 2.854,1208 2.925,1209 2.707,1210 2.691,1211 3.68,1212 2.694,1213 0.166,1214 0.179,1215 0.245,1216 0.145,1217 0.115,1218 4.803,1219 0.161,1220 5.18,1221 0.102,1222 7.112,1223 0.402,1224 4.216,1225 0.106,1226 3.321,1227 4.663,1228 2.95,1229 11.662,1230 3.087,1231 1.989,1232 2.001,1233 2.008,1234 2.038,1235 1.235,1236 2.079,1237 1.78,1238 1.763,1239 1.932,1240 1.986,1241 1.205,1242 1.975,1243 1.624,1244 1.628,1245 1.672,1246 1.77,1247 0.918,1248 1.785,1249 1.549,1250 1.541,1251 1.586,1252 1.673,1253 0.825,1254 1.703,1255 1.262,1256 1.253,1257 1.513,1258 1.376,1259 0.78,1260 1.429,1261 1.153,1262 1.064,1263 1.357,1264 1.338,1265 0.552,1266 1.386,1267 1,1268 0.988,1269 1.181,1270 1.151,1271 0.348,1272 1.153,1273 0.886,1274 0.821,1275 1.079,1276 1.062,1277 0.218,1278 1.107,1279 4.078,1281 5.442,1282 2.398,1283 7,1284 4.727,1285 8.64,1286 6.862,1287 10.323,1289 1.176,1295 2.56,1297 11.415,1300 1.999,1305 29.184,1306 75.174,1307 163.766,1308 194.574,1309 198.574,1310 198.574,1311 198.574,1312 52.589,1313 7.644,1314 76.82,1315 113.44,1316 23,1317 12.679,1318 4,1319 3.392,1320 38.002,1321 92,1322 88,1323 0.203,1324 182.405,1325 322.21,1326 436.827,1327 20813,1329 18.311,1330 0.704,1331 0.605,1332 18.915,1333 15.73,1334 12.432,1335 0.429,1336 0.376,1337 8.225,1338 10.677,1339 7.787,1340 6.356,1341 13.78,1342 10.89,1343 12.154,1344 0.283,1345 0.21,1346 14.065,1347 9.048,1348 9.832,1349 0.172,1350 0.113,1351 11.358,1352 6.451,1353 8.274,1354 0.11,1355 0.06,1356 9.641,1357 4.494,1358 6.568,1359 0.068,1360 0.031,1361 7.647,1362 2.968,1363 0.314,1364 92.043,1365 0.228,1366 24.837,1367 0.571,1368 144,1369 488.044,1370 214.957,1371 497.059,1372 664.74,1373 460,1374 172,1375 439.487,1376 249.231,1377 486.107,1378 712.68,1379 454,1380 5.343}
{0 CHEMBL2326969,1 1.75,2 7.81,3 3.249,4 10.557,5 86.333,6 9.395,7 0.417,8 3.68,9 3.745,10 3.553,11 3.356,12 4.758,13 3.297,14 4.231,15 4.342,16 3.933,17 3.756,18 5.296,19 3.679,20 4.394,21 4.546,22 3.941,23 3.755,24 5.437,25 3.676,26 4.333,27 4.471,28 3.961,29 3.757,30 5.469,31 3.649,32 4.32,33 4.491,34 3.761,35 3.66,36 5.357,37 3.552,38 4.183,39 4.33,40 3.68,41 3.565,42 5.307,43 3.46,44 4.055,45 4.174,46 3.494,47 3.473,48 5.283,49 3.32,50 3.898,51 4.073,52 3.113,53 3.263,54 4.771,55 3.023,56 0.054,57 0.45,58 5.039,59 3.405,60 4.166,61 3.485,62 0.281,63 0.823,64 14.2,65 6.428,66 14.843,67 5.96,68 0.41,69 0.959,70 20.044,71 7.886,72 22.745,73 7.398,74 0.408,75 0.875,76 20.738,77 8.147,78 29.27,79 7.673,80 0.39,81 0.861,82 17.933,83 7.472,84 27.736,85 7.874,86 0.305,87 0.761,88 16.492,89 6.629,90 29.235,91 6.303,92 0.304,93 0.682,94 15.399,95 6.341,96 35.065,97 5.667,98 0.186,99 0.629,100 19.712,101 6.703,102 15.727,103 6.203,104 2,105 34,106 0.321,107 0.675,108 0.792,109 0.824,110 0.824,111 0.824,112 3.105,113 1.063,114 -3.17,115 -3.17,116 -3.04,119 44.1,125 4,135 1,139 1,142 2,143 1,144 1,151 2,152 2,157 1,172 1,174 1,175 4,183 5,186 1,187 2,195 2,198 2,199 4,207 3,211 1,212 3,220 1,224 4,232 2,236 1,237 3,245 1,250 1,263 2,275 512,276 14.637,277 14.637,278 14.637,279 14.637,280 14.637,281 13.182,282 13.258,283 8.697,284 15.344,285 11.881,286 11.881,287 11.881,288 11.881,289 11.881,290 9.58,291 16.375,292 4.145,293 13.019,294 3.337,295 1.4,296 0.765,297 0.588,298 0.588,299 0.588,300 3.804,303 1,304 1,305 1,306 368,307 1.871,310 88.704,311 106.031,314 73.544,318 1.17,319 19.791,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 45.5,331 164,332 4.591,333 3.648,334 6.823,335 4.184,336 3.244,337 4.282,338 1.138,339 11.297,340 3.046,341 4.101,342 3.179,343 6.164,344 3.732,345 2.806,346 3.561,347 0.86,348 9.122,349 2.61,350 3.838,351 3.034,352 5.96,353 3.494,354 2.558,355 3.166,356 0.643,357 8.293,358 2.382,359 3.428,360 2.472,361 5.095,362 2.958,363 2,364 2.674,366 5.751,367 1.88,368 2.99,369 2.295,370 4.537,371 2.701,372 1.819,373 2.016,375 4.671,376 1.594,377 2.754,378 1.78,379 4.192,380 2.302,381 1.354,382 1.81,384 3.523,385 1.267,386 2.549,387 1.498,388 3.754,389 2.079,390 1.248,391 1.546,393 2.932,394 1.024,395 2.251,396 1.26,397 3.448,398 1.952,399 1,400 1.179,402 2.283,403 0.946,404 2.13,405 1.256,406 3.259,407 1.802,408 0.939,409 1,411 2.136,412 0.789,413 2.118,414 0.825,415 3.247,416 1.569,417 0.652,418 0.932,420 1.711,421 0.58,422 2,423 0.618,424 3,425 1.46,426 0.618,427 0.927,428 1.372,429 0.505,430 1.216,431 0.38,432 2.697,433 0.673,434 -0.278,435 -0.368,436 -0.725,437 -0.25,438 0.597,439 -0.215,440 2.544,441 0.397,442 -0.55,443 -0.651,445 -1.353,446 -0.526,447 0.27,448 -0.36,449 2.143,450 0.037,451 -0.874,452 -0.933,454 -2.263,455 -0.778,456 0.17,457 -0.579,458 2,459 -0.149,460 -1,461 -1,463 -2.347,464 -0.846,465 10.567,466 0.503,467 0.432,468 0.021,469 25.5,470 1.214,471 11.5,472 0.548,473 14,474 0.667,475 17.329,476 0.825,477 21.833,478 0.642,479 15.533,480 0.74,481 4.794,482 0.228,483 5.532,484 0.263,485 0.032,487 0.322,493 0.769,494 1.079,495 0.665,496 0.832,497 0.549,498 0.805,499 1.154,500 0.877,501 0.937,502 0.822,503 0.695,504 0.787,505 1.22,506 0.884,507 0.881,508 0.874,509 0.988,510 0.848,511 0.969,512 0.935,513 0.798,514 0.877,515 0.845,516 0.917,517 0.999,518 0.919,519 0.769,520 0.798,521 0.995,522 0.882,523 1.245,524 0.986,525 0.98,526 0.968,527 1.883,528 0.973,529 1.136,530 1.275,531 1.488,532 1.36,533 1.97,534 1.358,535 0.78,536 1.353,537 1.881,538 1.757,539 0.862,540 1.519,541 3,542 0.005,543 2.444,544 1.062,545 1.006,546 0.701,547 0.407,548 0.174,549 0.027,550 0.021,551 4358,552 13062,553 2.215,554 38.2,556 11,557 2,564 1.636,565 2.136,566 3.001,567 -0.704,569 1,571 1,573 59.51,574 1.75,575 3.687,576 4.323,577 4.499,578 4.499,579 4.499,580 2.453,581 4.011,582 4.365,583 3.089,584 648.703,585 7.501,586 6646.13,587 1,588 1,589 1,590 1,591 172.974,592 1.166,593 4.35,594 0.125,595 0.002,596 0.072,597 0.033,598 0.032,599 0.026,600 0.017,601 0.009,602 0.002,603 0.003,604 0.323,605 0.5,606 1,607 0.418,608 92.742,609 -0.04,610 -0.114,611 0.066,612 0.012,613 -0.02,614 0.015,615 -0.136,616 0.161,617 -0.04,618 0.106,619 -0.027,620 0.078,621 -0.088,622 0.124,623 0.032,624 0.045,625 -0.05,626 0.07,627 0.103,628 0.013,629 0.125,630 0.066,631 0.122,632 0.019,633 0.034,634 0.008,635 0.096,636 0.096,637 -0.029,638 0.086,639 -0.163,640 -0.03,641 -0.039,642 -0.016,643 -0.204,644 -0.029,645 -0.079,646 -0.276,647 -0.391,648 -0.29,649 -0.119,650 -0.423,651 -0.079,652 -0.312,653 -0.468,654 -0.474,655 -0.127,656 -0.426,657 1.634,658 5.321,659 0.952,660 14.304,661 1.016,662 1.102,663 1.944,664 3.78,665 0.742,666 3.219,667 3.555,668 3.892,669 4.205,670 4.394,671 4.554,672 4.71,673 4.812,674 4.836,675 4.82,676 4.783,677 0.697,678 319.43,679 3.219,680 4.762,681 5.638,682 6.532,683 7.427,684 8.331,685 9.233,686 10.142,687 11.049,688 11.96,689 2.9,692 1,704 4,708 2,709 4,711 10,716 1,729 1,731 34,733 12,735 24,737 37,738 15,739 8,742 3,746 4,747 5,761 11,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 13,782 4,784 6,785 2,790 1,794 0.75,795 3,811 2,812 2,815 1,831 1,836 1,839 1,840 3,842 2,848 21,854 4,856 2,859 1,865 2,870 8.8,873 1,874 1,875 1,877 9.833,878 6.2,879 4.556,880 2.042,881 2.184,882 1.306,883 1.03,884 3.649,885 9.319,886 3.466,887 4.034,888 4.642,889 5.23,890 5.554,891 6.023,892 6.392,893 6.722,894 6.947,895 7.038,896 1,897 32,898 7.802,900 3.416,901 7.675,902 15.08,904 12.809,905 2.175,906 45.667,907 0.001,910 153.024,911 140.772,912 3.124,914 47.145,916 62.555,917 78.217,918 200.169,919 3.124,921 13.396,922 43.727,923 41.278,924 27.368,925 26.259,926 192.037,928 153.024,929 81.341,930 47.145,931 62.555,933 153.024,934 36.145,935 11,937 16.52,938 55.345,939 9.476,940 62.555,941 153.024,942 50.269,943 140.772,946 153.024,947 97.045,948 46.851,950 47.145,951 153.024,952 50.269,953 140.772,955 0.58,956 0.351,957 0.201,958 0.102,959 19,960 7,961 0.054,962 2,963 1,964 1.1,965 3.384,966 173.063,967 0.1,968 20,969 88.239,970 2,974 13.612,975 5.63,976 2.473,978 50.269,979 8.092,983 3.105,984 3.535,987 344.066,988 31,993 12.321,995 1.6,997 0.678,999 34.538,1000 37.458,1001 0.344,1002 0.725,1003 0.85,1004 0.884,1005 0.884,1006 0.884,1007 4.714,1008 1,1009 5.617,1010 2.932,1011 4.234,1012 4.718,1013 1.724,1014 6.46,1015 4.068,1016 5.902,1017 0.939,1018 7.188,1019 2.283,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.586,1025 7.208,1026 0.652,1027 8.865,1028 2.136,1029 5.844,1030 6.864,1031 1.676,1032 10.567,1033 5.548,1034 8.554,1035 0.618,1036 10.607,1037 1.711,1038 6.275,1039 7.534,1040 0.424,1041 12.386,1042 5.952,1043 9.94,1044 -0.278,1045 12.391,1046 1.372,1047 7.772,1048 9.337,1049 1.733,1050 15.037,1051 7.359,1052 11.352,1053 -0.55,1054 14.203,1055 -0.725,1056 8.603,1057 10.429,1058 0.581,1059 17.193,1060 8.145,1061 12.784,1062 -0.874,1063 16.034,1064 -1.353,1065 9.879,1066 11.999,1067 1.843,1068 19.682,1069 9.348,1070 3.244,1071 -1,1072 17.88,1073 -2.263,1074 10.89,1075 13.284,1076 0.788,1077 21.981,1078 10.304,1079 2.806,1080 11.297,1081 19.736,1082 -2.347,1083 12.084,1084 14.768,1085 1.986,1086 24.417,1087 11.432,1088 2.558,1089 9.122,1090 21.601,1091 4.282,1092 13.176,1093 16.14,1094 1.027,1095 26.779,1096 12.465,1097 2,1098 8.293,1099 23.472,1100 3.561,1101 14.343,1102 17.594,1103 2.153,1104 29.199,1105 13.569,1106 1.819,1107 5.751,1108 25.348,1109 3.166,1110 15.473,1111 19.006,1112 1.284,1113 31.591,1114 14.638,1115 1.354,1116 4.671,1117 27.23,1118 2.674,1119 16.633,1120 20.453,1121 2.337,1122 34.008,1123 15.737,1124 1.248,1125 3.523,1126 29.115,1127 2.016,1128 17.781,1129 21.884,1130 1.553,1131 36.415,1132 16.823,1133 4075,1134 7181,1135 16.701,1136 25.233,1137 37.082,1138 37.448,1139 36.623,1140 36.391,1141 36.475,1142 46.186,1143 5.281,1144 106.184,1145 33.247,1146 5.591,1147 5.648,1148 6.625,1149 5.328,1150 5.244,1151 7.036,1152 2.22,1153 18.663,1154 5.002,1155 5.297,1156 1.545,1157 1.56,1158 1.526,1159 1.516,1160 1.52,1161 1.924,1162 0.22,1163 4.424,1164 1.385,1165 4.029,1166 4.023,1167 4.336,1168 4.052,1169 7.428,1170 3.985,1171 3.807,1172 3.842,1173 4.106,1174 3.77,1175 4.872,1176 3.706,1177 3.686,1178 3.699,1179 3.706,1180 3.56,1181 4.649,1182 3.549,1183 3.322,1184 3.338,1185 3.369,1186 3.224,1187 4.569,1188 3.212,1189 3.111,1190 3.206,1191 2.909,1192 2.941,1193 4.199,1194 2.91,1195 2.915,1196 2.929,1197 2.866,1198 2.645,1199 3.678,1200 2.675,1201 2.589,1202 2.619,1203 2.682,1204 2.405,1205 3.474,1206 2.353,1207 2.434,1208 2.499,1209 2.68,1210 2.376,1211 3.439,1212 2.241,1213 0.191,1214 0.152,1215 0.284,1216 0.174,1217 0.135,1218 4.591,1219 0.178,1220 3.648,1221 0.047,1222 6.823,1223 0.471,1224 4.184,1225 0.127,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.046,1231 1.788,1232 1.771,1233 1.936,1234 1.995,1235 1.206,1236 1.977,1237 1.633,1238 1.608,1239 1.733,1240 1.778,1241 0.915,1242 1.763,1243 1.534,1244 1.526,1245 1.629,1246 1.618,1247 0.825,1248 1.642,1249 1.411,1250 1.393,1251 1.513,1252 1.445,1253 0.753,1254 1.513,1255 1.153,1256 1.068,1257 1.422,1258 1.376,1259 0.641,1260 1.429,1261 1.059,1262 1.064,1263 1.079,1264 1.156,1265 0.367,1266 1.182,1267 0.901,1268 0.885,1269 0.992,1270 0.995,1271 0.246,1272 1.068,1273 0.64,1274 0.595,1275 0.89,1276 0.881,1277 0.133,1278 0.92,1279 3.892,1281 5.22,1282 3.045,1283 6.749,1284 5.283,1285 8.371,1286 7.31,1287 10.046,1295 2.853,1297 11.413,1300 2.07,1305 23.701,1306 59.51,1307 125.364,1308 146.974,1309 152.974,1310 152.974,1311 152.974,1312 27.806,1313 7.134,1314 42.68,1315 99.16,1316 22,1317 12.475,1318 3.7,1319 3,1320 27.855,1321 60,1322 58,1323 0.234,1324 148.562,1325 255.37,1326 354.252,1327 10731,1329 14.234,1330 0.678,1331 0.611,1332 14.941,1333 12.837,1334 10.326,1335 0.43,1336 0.354,1337 6.791,1338 8.968,1339 6.525,1340 5.295,1341 11.235,1342 8.506,1343 9.22,1344 0.271,1345 0.196,1346 10.328,1347 6.661,1348 8.235,1349 0.172,1350 0.113,1351 9.671,1352 5.419,1353 7.246,1354 0.11,1355 0.063,1356 8.799,1357 4.189,1358 5.44,1359 0.068,1360 0.033,1361 6.588,1362 2.604,1363 0.352,1364 74.01,1365 0.245,1366 20.376,1367 0.69,1368 116,1369 366.573,1370 172.28,1371 382.974,1372 523.81,1373 362,1374 140,1375 352.162,1376 193.772,1377 379.461,1378 565.96,1379 358,1380 6.156}
{0 CHEMBL2326970,1 1.589,2 9.087,3 3.782,4 14.303,5 92.54,6 8.186,7 0.423,8 3.813,9 3.898,10 3.524,11 3.431,12 4.876,13 3.391,14 4.368,15 4.507,16 3.899,17 3.827,18 5.404,19 3.773,20 4.565,21 4.726,22 3.985,23 3.915,24 5.6,25 3.848,26 4.577,27 4.761,28 3.856,29 3.89,30 5.632,31 3.785,32 4.522,33 4.726,34 3.77,35 3.789,36 5.493,37 3.681,38 4.335,39 4.484,40 3.721,41 3.723,42 5.45,43 3.633,44 4.287,45 4.419,46 3.62,47 3.67,48 5.486,49 3.545,50 4.24,51 4.435,52 3.241,53 3.491,54 5.149,55 3.316,56 0.019,57 0.529,58 7.622,59 4.042,60 3.97,61 4.623,62 0.23,63 0.924,64 17.047,65 7.037,66 15.159,67 7.865,68 0.337,69 1.099,70 22.08,71 8.542,72 22.753,73 9.677,74 0.357,75 1.086,76 22.778,77 9.358,78 34.66,79 11.123,80 0.382,81 1.037,82 24.499,83 9.002,84 30.522,85 10.596,86 0.218,87 0.863,88 18.405,89 7.412,90 27.501,91 7.983,92 0.289,93 0.845,94 18.929,95 7.374,96 40.014,97 7.62,98 0.231,99 0.817,100 22.756,101 7.74,102 21.565,103 8.342,104 5,105 37,106 0.281,107 0.642,108 0.778,109 0.796,110 0.796,111 0.796,112 3.19,113 0.987,114 -3.56,115 -3.53,116 -3.37,119 45,120 1,125 4,135 1,139 1,142 4,143 3,144 1,151 1,152 1,157 1,172 8,174 1,175 4,183 11,186 1,187 3,195 9,198 2,199 4,207 5,211 1,212 6,220 4,224 5,232 3,236 1,237 6,245 3,250 4,258 1,263 4,271 1,275 701,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 14.182,282 15.684,283 9.284,284 16.297,285 12.847,286 12.847,287 12.847,288 12.847,289 12.847,290 10.318,291 17.846,292 4.432,293 13.659,294 3.733,295 1.689,296 0.919,297 0.819,298 0.819,299 0.819,300 3.889,303 1,304 1,305 1,306 461,307 2,310 46.104,311 184.35,314 83.391,318 1.323,319 20.672,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.5,331 209,332 4.591,333 3.648,334 6.823,335 4.193,336 3.244,337 4.282,338 1.138,339 11.297,340 3.084,341 4.119,342 3.179,343 6.165,344 3.763,345 2.811,346 3.632,347 0.86,348 9.124,349 2.706,350 3.888,351 3.038,352 5.961,353 3.547,354 2.591,355 3.252,356 0.643,357 8.305,358 2.439,359 3.629,360 2.616,361 5.179,362 3.285,363 2.282,364 2.9,366 6.255,367 2.28,368 3.205,369 2.387,370 4.902,371 2.796,372 1.822,373 2.392,375 5.359,376 1.773,377 2.979,378 2.164,379 4.537,380 2.701,381 1.799,382 1.999,384 4.67,385 1.594,386 2.583,387 1.76,388 4.071,389 2.093,390 1.267,391 1.604,393 3.098,394 1.039,395 2.5,396 1.275,397 3.754,398 2.011,399 1.066,400 1.5,402 2.882,403 1,404 2.432,405 1.256,406 3.444,407 2,408 1,409 1.372,411 2.275,412 0.993,413 2.18,414 1.192,415 3.414,416 1.952,417 1,418 1.063,420 2.143,421 0.946,422 2,423 1,424 3.247,425 1.691,426 0.826,427 1,428 2.136,429 0.691,430 1.283,431 0.453,432 2.705,433 0.849,434 -0.121,435 -0.152,436 -0.281,437 -0.114,438 1.063,439 0.036,440 2.645,441 0.632,442 -0.348,443 -0.462,445 -0.879,446 -0.331,447 0.562,448 -0.234,449 2.343,450 0.377,451 -0.568,452 -0.657,454 -1.372,455 -0.542,456 0.5,457 -0.36,458 2,459 0.011,460 -0.909,461 -0.971,463 -2.347,464 -0.815,465 11.233,466 0.488,467 0.538,468 0.023,469 28.5,470 1.239,471 13.5,472 0.587,473 15,474 0.652,475 18.814,476 0.818,477 24.167,478 0.604,479 19.103,480 0.831,481 5.565,482 0.242,483 5.655,484 0.246,485 0.074,487 0.347,493 0.756,494 1.155,495 0.695,496 0.947,497 0.578,498 0.887,499 1.112,500 0.894,501 0.882,502 0.826,503 0.681,504 0.795,505 1.146,506 0.959,507 0.853,508 0.929,509 0.967,510 0.927,511 0.875,512 0.991,513 0.88,514 0.954,515 0.784,516 0.99,517 1,518 0.905,519 0.928,520 0.895,521 0.941,522 0.846,523 1.328,524 1.023,525 1.146,526 1.041,527 1.827,528 0.995,529 1.227,530 1.285,531 1.589,532 1.418,533 2.034,534 1.324,535 1.033,536 1.285,537 1.792,538 1.613,539 1.032,540 1.348,541 4,542 0.049,543 2.889,544 1.285,545 1.228,546 0.879,547 0.582,548 0.28,549 0.116,550 0.078,551 5573,552 14557,553 2.168,554 42.5,555 3,556 13,557 1,564 1.661,565 2.06,566 3.176,567 -0.772,569 1,571 1,573 63.577,574 1.589,575 3.633,576 4.403,577 4.503,578 4.503,579 4.503,580 2.666,581 3.969,582 4.493,583 3.261,584 825.076,585 7.757,586 9052.12,587 1,588 1,589 1,590 1,591 212.877,592 1.302,593 4.469,594 0.154,595 0.008,596 0.078,597 0.035,598 0.037,599 0.029,600 0.02,601 0.012,602 0.007,603 0.007,604 0.388,605 0.5,606 1,607 0.503,608 105.779,609 -0.013,610 -0.126,611 0.08,612 -0.019,613 -0.031,614 0.009,615 -0.073,616 0.158,617 0.035,618 0.126,619 0.002,620 0.112,621 -0.041,622 0.054,623 0.051,624 -0.003,625 -0.056,626 -0.008,627 0.114,628 -0.038,629 0.041,630 -0.003,631 0.114,632 -0.022,633 0.053,634 0.055,635 0.109,636 0.111,637 0.003,638 0.147,639 -0.187,640 -0.028,641 -0.108,642 -0.012,643 -0.162,644 -0.052,645 -0.081,646 -0.244,647 -0.389,648 -0.289,649 -0.139,650 -0.383,651 -0.13,652 -0.259,653 -0.439,654 -0.402,655 -0.14,656 -0.32,657 1.642,658 5.433,659 0.913,660 17.584,661 1.006,662 1.109,663 2.326,664 5.413,665 0.703,666 3.296,667 3.638,668 3.951,669 4.248,670 4.511,671 4.635,672 4.796,673 4.92,674 4.997,675 5.024,676 5.27,677 0.664,678 327.43,679 3.296,680 4.844,681 5.714,682 6.605,683 7.495,684 8.395,685 9.294,686 10.2,687 11.104,688 12.013,689 2.5,692 1,704 5,708 1,709 5,711 11,716 1,729 1,731 40,733 13,734 1,735 26,737 43,738 18,739 10,740 2,741 4,742 3,746 4,747 5,752 1,761 13,762 5,766 2,771 1,773 1,775 2,778 1,781 17,782 4,784 5,785 1,790 1,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 1,848 23,854 4,856 2,859 1,865 1,870 7.5,873 1,874 1,875 1,877 11.167,878 7.617,879 4.972,880 2.444,881 2.483,882 1.337,883 1.013,884 3.954,885 9.851,886 3.541,887 4.123,888 4.715,889 5.292,890 5.771,891 6.139,892 6.527,893 6.9,894 7.22,895 7.431,896 1,897 37,898 8.542,900 3.699,901 7.652,902 16.531,904 13.906,905 2.152,906 49.5,909 1,910 200.109,911 134.636,912 3.124,914 47.145,916 31.278,917 103.358,918 247.253,919 3.124,920 8.825,921 13.396,922 55.03,923 41.278,924 33.739,925 13.13,926 219.615,928 200.109,929 106.483,930 47.145,931 31.278,933 200.109,934 36.145,935 11,937 25.346,938 71.661,939 9.476,940 31.278,941 200.109,942 50.269,943 134.636,946 200.109,947 70.78,948 66.98,950 47.145,951 200.109,952 50.269,953 134.636,955 0.585,956 0.346,957 0.19,958 0.108,959 20,960 8,961 0.047,962 2,963 1,964 1.095,965 3.533,966 194.508,967 0.095,968 21,969 96.042,970 1,974 14.912,975 6.098,976 2.814,978 50.269,979 10.283,983 1.445,984 4.635,987 385.014,988 33.5,993 12.433,995 1.6,997 0.661,999 40.229,1000 44.368,1001 0.299,1002 0.683,1003 0.827,1004 0.846,1005 0.846,1006 0.846,1007 4.794,1008 1.066,1009 5.7,1010 3.098,1011 4.317,1012 4.808,1013 1.724,1014 6.535,1015 4.208,1016 5.992,1017 1,1018 7.27,1019 2.882,1020 3.892,1021 4.59,1022 0.325,1023 7.476,1024 3.782,1025 7.302,1026 1,1027 8.943,1028 2.275,1029 5.927,1030 6.965,1031 1.676,1032 10.61,1033 5.732,1034 8.648,1035 0.826,1036 10.676,1037 2.143,1038 6.347,1039 7.608,1040 0.424,1041 12.407,1042 6.134,1043 10.03,1044 -0.121,1045 12.451,1046 2.136,1047 7.84,1048 9.436,1049 1.733,1050 15.056,1051 7.559,1052 11.436,1053 -0.348,1054 14.253,1055 -0.281,1056 8.65,1057 10.48,1058 0.581,1059 17.202,1060 8.332,1061 12.862,1062 -0.568,1063 16.075,1064 -0.879,1065 9.928,1066 12.083,1067 1.843,1068 19.69,1069 9.553,1070 3.244,1071 -0.909,1072 17.913,1073 -1.372,1074 10.923,1075 13.325,1076 0.788,1077 21.985,1078 10.5,1079 2.811,1080 11.297,1081 19.762,1082 -2.347,1083 12.118,1084 14.833,1085 1.986,1086 24.42,1087 11.642,1088 2.591,1089 9.124,1090 21.621,1091 4.282,1092 13.199,1093 16.175,1094 1.027,1095 26.781,1096 12.672,1097 2.282,1098 8.305,1099 23.488,1100 3.632,1101 14.365,1102 17.643,1103 2.153,1104 29.2,1105 13.787,1106 1.822,1107 6.255,1108 25.361,1109 3.252,1110 15.489,1111 19.036,1112 1.284,1113 31.592,1114 14.858,1115 1.799,1116 5.359,1117 27.24,1118 2.9,1119 16.648,1120 20.489,1121 2.337,1122 34.009,1123 15.967,1124 1.267,1125 4.67,1126 29.123,1127 2.392,1128 17.793,1129 21.909,1130 1.553,1131 36.416,1132 17.059,1133 5259,1134 8637,1135 17.8,1136 28.108,1137 39.864,1138 40.809,1139 40.378,1140 39.334,1141 39.416,1142 49.991,1143 5.281,1144 115.086,1145 37.086,1146 5.591,1147 5.648,1148 6.625,1149 5.331,1150 5.244,1151 7.282,1152 2.22,1153 18.661,1154 5.084,1155 8.425,1156 1.533,1157 1.57,1158 1.553,1159 1.513,1160 1.516,1161 1.923,1162 0.203,1163 4.426,1164 1.426,1165 4.045,1166 4.051,1167 4.276,1168 4.031,1169 7.428,1170 3.995,1171 3.847,1172 3.881,1173 3.811,1174 3.773,1175 4.884,1176 3.755,1177 3.723,1178 3.752,1179 3.706,1180 3.566,1181 4.691,1182 3.565,1183 3.366,1184 3.389,1185 3.37,1186 3.246,1187 4.589,1188 3.246,1189 3.111,1190 3.206,1191 3.062,1192 2.995,1193 4.227,1194 2.95,1195 3.1,1196 3.17,1197 2.866,1198 2.941,1199 3.807,1200 2.91,1201 2.9,1202 2.925,1203 2.823,1204 2.735,1205 3.676,1206 2.715,1207 2.854,1208 2.92,1209 2.687,1210 2.59,1211 3.674,1212 2.637,1213 0.177,1214 0.14,1215 0.262,1216 0.161,1217 0.125,1218 4.591,1219 0.165,1220 3.648,1221 0.044,1222 6.823,1223 0.435,1224 4.193,1225 0.119,1226 3.244,1227 4.282,1228 1.138,1229 11.297,1230 3.084,1231 1.94,1232 1.919,1233 2.05,1234 2.02,1235 1.208,1236 2.026,1237 1.773,1238 1.748,1239 1.934,1240 1.976,1241 1.167,1242 1.97,1243 1.578,1244 1.553,1245 1.686,1246 1.753,1247 0.826,1248 1.735,1249 1.403,1250 1.387,1251 1.558,1252 1.494,1253 0.825,1254 1.536,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.707,1260 1.429,1261 1.083,1262 1.048,1263 1.292,1264 1.235,1265 0.446,1266 1.295,1267 0.97,1268 0.923,1269 1.181,1270 1.148,1271 0.339,1272 1.145,1273 0.886,1274 0.821,1275 1.079,1276 1.062,1277 0.218,1278 1.107,1279 3.97,1281 5.303,1282 2.398,1283 6.841,1284 4.727,1285 8.468,1286 6.862,1287 10.144,1289 2.062,1295 2.823,1297 11.487,1300 2.07,1305 26.567,1306 63.577,1307 145.314,1308 176.122,1309 180.122,1310 180.122,1311 180.122,1312 32.267,1313 7.368,1314 42.68,1315 70.92,1316 23,1317 12.53,1318 3.807,1319 3.087,1320 31.722,1321 71,1322 79,1323 0.22,1324 163.281,1325 286.12,1326 390.166,1327 14654,1329 15.811,1330 0.687,1331 0.595,1332 16.165,1333 13.689,1334 11.22,1335 0.432,1336 0.329,1337 7.64,1338 10.352,1339 7.37,1340 6.046,1341 11.674,1342 8.553,1343 10.196,1344 0.276,1345 0.178,1346 10.72,1347 6.602,1348 8.896,1349 0.174,1350 0.1,1351 9.665,1352 5.092,1353 7.575,1354 0.11,1355 0.054,1356 8.425,1357 3.715,1358 6.282,1359 0.07,1360 0.028,1361 7.004,1362 2.557,1363 0.335,1364 74.832,1365 0.237,1366 22.2,1367 0.637,1368 126,1369 373.712,1370 159.997,1371 372.803,1372 512.78,1373 352,1374 151,1375 361.762,1376 186.399,1377 378.043,1378 561.56,1379 356,1380 6.623}
{0 CHEMBL2326971,1 1.589,2 8.565,3 3.782,4 14.303,5 92.54,6 8.186,7 0.423,8 3.813,9 3.898,10 3.524,11 3.431,12 4.876,13 3.391,14 4.368,15 4.507,16 3.899,17 3.827,18 5.404,19 3.773,20 4.565,21 4.726,22 3.985,23 3.915,24 5.597,25 3.848,26 4.578,27 4.762,28 3.873,29 3.898,30 5.628,31 3.797,32 4.525,33 4.716,34 3.798,35 3.824,36 5.512,37 3.719,38 4.406,39 4.566,40 3.794,41 3.781,42 5.512,43 3.681,44 4.373,45 4.522,46 3.563,47 3.69,48 5.509,49 3.547,50 4.141,51 4.325,52 3.264,53 3.439,54 5.125,55 3.295,56 0.019,57 0.529,58 7.622,59 4.042,60 3.97,61 4.623,62 0.23,63 0.924,64 17.047,65 7.037,66 15.27,67 7.865,68 0.337,69 1.099,70 22.08,71 8.542,72 22.97,73 9.677,74 0.36,75 1.086,76 22.855,77 9.358,78 33.77,79 11.128,80 0.367,81 1.042,82 23.744,83 8.963,84 28.773,85 10.47,86 0.205,87 0.927,88 19.233,89 7.98,90 29.619,91 8.827,92 0.402,93 0.925,94 24.974,95 8.581,96 43.517,97 8.429,98 0.117,99 0.736,100 17.297,101 6.563,102 15.989,103 7.587,104 5,105 37,106 0.281,107 0.642,108 0.796,109 0.831,110 0.831,111 0.831,112 3.19,113 0.987,114 -3.56,115 -3.53,116 -3.37,119 45,120 1,125 4,135 1,139 1,142 4,143 3,144 1,151 1,152 1,157 1,172 8,174 1,175 4,183 11,186 1,187 3,195 9,198 2,199 4,207 6,211 1,212 6,220 3,224 6,232 4,236 1,237 5,245 2,250 6,258 2,263 2,275 692,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 14.182,282 15.684,283 9.32,284 16.297,285 12.864,286 12.864,287 12.864,288 12.864,289 12.864,290 10.324,291 17.846,292 4.451,293 13.676,294 3.733,295 1.689,296 0.819,297 0.619,298 0.619,299 0.619,300 3.889,303 1,304 1,305 1,306 435,307 2,310 45.303,311 182.971,314 82.075,318 1.285,319 20.683,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.5,331 197,332 4.593,333 3.648,334 6.824,335 4.196,336 3.245,337 4.286,338 1.138,339 11.306,340 3.089,341 4.133,342 3.179,343 6.17,344 3.775,345 2.819,346 3.656,347 0.86,348 9.145,349 2.721,350 3.893,351 3.047,352 5.972,353 3.557,354 2.605,355 3.242,356 0.643,357 8.365,358 2.44,359 3.593,360 2.633,361 5.233,362 3.247,363 2.242,364 2.849,366 6.365,367 2.242,368 3.148,369 2.374,370 4.816,371 2.741,372 1.82,373 2.324,375 5.107,376 1.719,377 2.977,378 2.097,379 4.537,380 2.7,381 1.748,382 1.999,384 4.67,385 1.594,386 2.695,387 1.756,388 4.033,389 2.227,390 1.273,391 1.772,393 3.091,394 1.221,395 2.565,396 1.326,397 3.754,398 2.083,399 1.222,400 1.578,402 2.897,403 1.027,404 2.373,405 1.258,406 3.472,407 1.952,408 1,409 1.304,411 2.477,412 0.946,413 2.173,414 1.256,415 3.442,416 1.931,417 1,418 1.039,420 2.136,421 0.918,422 2,423 1.015,424 3.247,425 1.668,426 0.779,427 1,428 2.088,429 0.669,430 1.236,431 0.416,432 2.703,433 0.701,434 -0.248,435 -0.326,436 -0.64,437 -0.224,438 0.94,439 -0.131,440 2.635,441 0.594,442 -0.405,443 -0.513,445 -0.918,446 -0.404,447 0.722,448 -0.2,449 2.338,450 0.431,451 -0.533,452 -0.646,454 -1.339,455 -0.515,456 0.514,457 -0.36,458 2,459 0.227,460 -0.734,461 -0.842,463 -1.945,464 -0.693,465 11.233,466 0.488,467 0.538,468 0.023,469 28.5,470 1.239,471 13.5,472 0.587,473 15,474 0.652,475 18.95,476 0.824,477 24.167,478 0.604,479 19.126,480 0.832,481 5.565,482 0.242,483 5.655,484 0.246,485 0.074,487 0.347,493 0.756,494 1.155,495 0.695,496 0.947,497 0.578,498 0.887,499 1.112,500 0.894,501 0.882,502 0.826,503 0.679,504 0.795,505 1.146,506 0.959,507 0.853,508 0.929,509 0.973,510 0.927,511 0.871,512 0.954,513 0.854,514 0.919,515 0.765,516 0.946,517 1.005,518 0.964,519 0.968,520 0.951,521 0.958,522 0.916,523 1.205,524 1.04,525 1.038,526 1.019,527 1.686,528 1.006,529 1.47,530 1.218,531 1.966,532 1.527,533 2.02,534 1.29,535 0.71,536 1.439,537 1.4,538 1.562,539 0.87,540 1.397,541 4,542 0.033,543 2.667,544 1.41,545 1.228,546 0.854,547 0.532,548 0.245,549 0.108,550 0.063,551 5497,552 14429,553 2.168,554 42.5,555 3,556 13,557 1,564 1.662,565 2.06,566 3.122,567 -0.772,569 1,571 1,573 63.577,574 1.589,575 3.633,576 4.503,577 4.703,578 4.703,579 4.703,580 2.512,581 4.143,582 4.495,583 3.217,584 813.968,585 7.764,586 8936.32,587 1,588 1,589 1,590 1,591 212.877,592 1.302,593 4.469,594 0.154,595 0.005,596 0.072,597 0.038,598 0.036,599 0.028,600 0.018,601 0.011,602 0.006,603 0.006,604 0.374,605 0.5,606 1,607 0.503,608 105.489,609 -0.013,610 -0.126,611 0.08,612 -0.019,613 -0.031,614 0.009,615 -0.073,616 0.158,617 0.035,618 0.126,619 0.003,620 0.112,621 -0.041,622 0.054,623 0.051,624 -0.003,625 -0.062,626 -0.008,627 0.117,629 0.067,630 0.033,631 0.131,632 0.023,633 0.037,635 0.046,636 0.05,637 -0.023,638 0.065,639 -0.132,640 -0.055,641 -0.021,642 -0.003,643 -0.126,644 -0.053,645 -0.184,646 -0.158,647 -0.544,648 -0.28,649 -0.193,650 -0.319,651 0.003,652 -0.44,653 -0.296,654 -0.486,655 0.008,656 -0.395,657 1.642,658 5.446,659 0.913,660 16.968,661 1.006,662 1.109,663 2.326,664 5.413,665 0.703,666 3.296,667 3.638,668 3.951,669 4.263,670 4.511,671 4.635,672 4.796,673 4.934,674 4.977,675 5.03,676 5.174,677 0.664,678 327.43,679 3.296,680 4.844,681 5.714,682 6.608,683 7.497,684 8.4,685 9.299,686 10.207,687 11.111,688 12.022,689 2.5,692 1,704 5,708 1,709 5,711 11,716 1,729 1,731 40,733 13,734 1,735 26,737 43,738 18,739 10,740 2,741 4,742 3,746 4,747 5,752 1,761 13,762 5,766 2,771 1,773 1,775 2,778 1,781 17,782 4,784 5,785 1,790 1,794 0.75,795 3,811 1,812 3,815 1,831 1,836 1,839 1,840 3,842 1,844 1,848 23,854 4,856 2,859 1,865 1,870 7.5,873 1,874 1,875 1,877 11.167,878 7.617,879 4.972,880 2.444,881 2.493,882 1.338,883 1.013,884 3.954,885 9.862,886 3.541,887 4.123,888 4.715,889 5.303,890 5.771,891 6.135,892 6.524,893 6.916,894 7.178,895 7.446,896 0.833,897 37,898 8.542,900 3.7,901 7.652,902 16.531,904 13.906,905 2.152,906 49.5,909 1,910 200.109,911 134.636,912 3.124,914 47.145,916 31.278,917 103.358,918 247.253,919 3.124,920 8.825,921 13.396,922 55.03,923 41.278,924 33.739,925 13.13,926 219.615,928 200.109,929 106.483,930 47.145,931 31.278,933 200.109,934 36.145,935 11,937 25.346,938 71.661,939 9.476,940 31.278,941 200.109,942 50.269,943 134.636,946 200.109,947 70.78,948 66.98,950 47.145,951 200.109,952 50.269,953 134.636,955 0.584,956 0.345,957 0.195,958 0.109,959 20,960 8,961 0.047,962 2,963 1,964 1.095,965 3.518,966 195.287,967 0.095,968 21,969 98.042,970 1,974 14.912,975 6.098,976 2.814,978 50.269,979 10.262,983 1.447,984 4.626,987 385.014,988 33.5,993 12.446,995 1.601,997 0.662,999 40.229,1000 44.368,1001 0.299,1002 0.683,1003 0.846,1004 0.884,1005 0.884,1006 0.884,1007 4.794,1008 1.222,1009 5.7,1010 3.091,1011 4.317,1012 4.808,1013 1.724,1014 6.538,1015 4.208,1016 5.992,1017 1,1018 7.27,1019 2.897,1020 3.892,1021 4.59,1022 0.325,1023 7.476,1024 3.782,1025 7.302,1026 1,1027 8.943,1028 2.477,1029 5.927,1030 6.965,1031 1.676,1032 10.619,1033 5.732,1034 8.648,1035 0.779,1036 10.678,1037 2.136,1038 6.347,1039 7.608,1040 0.424,1041 12.414,1042 6.134,1043 10.03,1044 -0.248,1045 12.453,1046 2.088,1047 7.843,1048 9.438,1049 1.733,1050 15.068,1051 7.562,1052 11.437,1053 -0.405,1054 14.256,1055 -0.64,1056 8.655,1057 10.486,1058 0.581,1059 17.212,1060 8.339,1061 12.863,1062 -0.533,1063 16.08,1064 -0.918,1065 9.935,1066 12.09,1067 1.843,1068 19.702,1069 9.562,1070 3.245,1071 -0.734,1072 17.918,1073 -1.339,1074 10.932,1075 13.336,1076 0.788,1077 21.996,1078 10.514,1079 2.819,1080 11.306,1081 19.768,1082 -1.945,1083 12.127,1084 14.844,1085 1.986,1086 24.432,1087 11.657,1088 2.605,1089 9.145,1090 21.628,1091 4.286,1092 13.21,1093 16.189,1094 1.027,1095 26.793,1096 12.691,1097 2.242,1098 8.365,1099 23.495,1100 3.656,1101 14.377,1102 17.658,1103 2.153,1104 29.213,1105 13.808,1106 1.82,1107 6.365,1108 25.369,1109 3.242,1110 15.502,1111 19.053,1112 1.284,1113 31.605,1114 14.882,1115 1.748,1116 5.107,1117 27.248,1118 2.849,1119 16.661,1120 20.507,1121 2.337,1122 34.022,1123 15.992,1124 1.273,1125 4.67,1126 29.131,1127 2.324,1128 17.806,1129 21.927,1130 1.553,1131 36.429,1132 17.086,1133 5189,1134 8541,1135 17.8,1136 28.108,1137 39.939,1138 40.883,1139 40.383,1140 39.421,1141 39.507,1142 50.097,1143 5.281,1144 115.294,1145 37.174,1146 5.593,1147 5.648,1148 6.626,1149 5.334,1150 5.245,1151 7.286,1152 2.22,1153 18.683,1154 5.089,1155 8.288,1156 1.536,1157 1.572,1158 1.553,1159 1.516,1160 1.519,1161 1.927,1162 0.203,1163 4.434,1164 1.43,1165 4.046,1166 4.051,1167 4.276,1168 4.032,1169 7.428,1170 3.996,1171 3.847,1172 3.881,1173 3.811,1174 3.771,1175 4.884,1176 3.753,1177 3.722,1178 3.75,1179 3.706,1180 3.565,1181 4.691,1182 3.564,1183 3.357,1184 3.379,1185 3.37,1186 3.241,1187 4.589,1188 3.239,1189 3.141,1190 3.219,1191 3.032,1192 3.012,1193 4.224,1194 2.98,1195 3.111,1196 3.206,1197 2.883,1198 2.941,1199 3.875,1200 2.91,1201 2.929,1202 2.947,1203 2.866,1204 2.77,1205 3.68,1206 2.747,1207 2.751,1208 2.805,1209 2.742,1210 2.526,1211 3.57,1212 2.561,1213 0.177,1214 0.14,1215 0.262,1216 0.161,1217 0.125,1218 4.593,1219 0.165,1220 3.648,1221 0.044,1222 6.824,1223 0.435,1224 4.196,1225 0.119,1226 3.245,1227 4.286,1228 1.138,1229 11.306,1230 3.089,1231 1.941,1232 1.92,1233 2.05,1234 2.02,1235 1.208,1236 2.026,1237 1.773,1238 1.748,1239 1.934,1240 1.976,1241 1.17,1242 1.97,1243 1.577,1244 1.552,1245 1.68,1246 1.751,1247 0.825,1248 1.734,1249 1.384,1250 1.37,1251 1.556,1252 1.475,1253 0.819,1254 1.519,1255 1.154,1256 1.088,1257 1.513,1258 1.376,1259 0.689,1260 1.429,1261 1.153,1262 1.064,1263 1.367,1264 1.317,1265 0.505,1266 1.366,1267 1.006,1268 0.991,1269 1.079,1270 1.152,1271 0.348,1272 1.156,1273 0.715,1274 0.653,1275 1.015,1276 0.924,1277 0.16,1278 0.982,1279 3.97,1281 5.303,1282 2.398,1283 6.841,1284 4.727,1285 8.47,1286 6.862,1287 10.148,1289 2.063,1295 2.822,1297 11.499,1300 2.071,1305 26.567,1306 63.577,1307 145.314,1308 180.122,1309 188.122,1310 188.122,1311 188.122,1312 32.267,1313 7.368,1314 42.68,1315 70.92,1316 23,1317 12.538,1318 3.807,1319 3.087,1320 31.682,1321 70,1322 70,1323 0.224,1324 163.281,1325 286.12,1326 390.166,1327 14654,1329 15.811,1330 0.687,1331 0.595,1332 16.165,1333 13.689,1334 11.22,1335 0.432,1336 0.329,1337 7.64,1338 10.352,1339 7.369,1340 6.047,1341 11.674,1342 8.553,1343 10.208,1344 0.276,1345 0.179,1346 10.732,1347 6.605,1348 8.813,1349 0.173,1350 0.099,1351 9.582,1352 5.058,1353 7.73,1354 0.11,1355 0.054,1356 8.581,1357 3.794,1358 6.254,1359 0.069,1360 0.028,1361 6.968,1362 2.545,1363 0.339,1364 74.832,1365 0.237,1366 22.124,1367 0.651,1368 126,1369 373.712,1370 159.997,1371 372.868,1372 512.8,1373 352,1374 151,1375 361.762,1376 186.399,1377 378.178,1378 561.79,1379 356,1380 6.936}
{0 CHEMBL2331575,1 1.649,2 12.455,3 3.676,4 13.512,5 126.381,6 8.242,7 0.595,8 4.142,9 4.232,10 3.923,11 3.765,12 5.231,13 3.726,14 4.691,15 4.828,16 4.232,17 4.162,18 5.943,19 4.124,20 4.944,21 5.092,22 4.341,23 4.343,24 6.112,25 4.284,26 5.053,27 5.227,28 4.225,29 4.349,30 6.213,31 4.261,32 5.052,33 5.26,34 4.078,35 4.259,36 6.172,37 4.154,38 4.938,39 5.183,40 4.052,41 4.139,42 5.893,43 4.042,44 4.799,45 4.979,46 4.089,47 4.083,48 6.075,49 4.015,50 4.818,51 5.022,52 4.002,53 4.083,54 5.859,55 3.981,56 0.089,57 0.807,58 12.179,59 5.638,60 17.012,61 6.189,62 0.387,63 1.345,64 23.162,65 9.472,66 53.201,67 10.821,68 0.416,69 1.65,70 28.208,71 12.142,72 57.823,73 13.91,74 0.491,75 1.803,76 36.438,77 14.257,78 75.435,79 16.331,80 0.606,81 1.73,82 34.397,83 13.755,84 98.831,85 17.209,86 0.43,87 1.595,88 34.265,89 12.47,90 63.625,91 16.535,92 0.59,93 1.396,94 25.432,95 10.198,96 91.131,97 12.51,98 0.451,99 1.444,100 31.472,101 11.585,102 59.184,103 13.69,104 27,105 55,106 0.265,107 0.609,108 0.778,109 0.865,110 0.885,111 0.885,112 3.532,113 1.012,114 -4.22,115 -4.16,116 -3.94,119 44.6,120 1,124 1,125 3,142 9,143 5,144 2,146 1,152 1,158 1,160 1,172 13,174 2,175 6,178 1,180 1,183 15,186 1,187 13,192 2,195 14,199 16,204 1,207 8,211 1,212 11,217 1,220 5,224 10,229 2,232 6,236 4,237 6,242 2,245 9,249 2,250 3,258 11,263 3,266 2,271 11,275 1841,276 21.936,277 21.936,278 21.936,279 21.936,280 21.936,281 18.993,282 16.711,283 12.469,284 22.511,285 18.254,286 18.254,287 18.254,288 18.254,289 18.254,290 13.638,291 18.709,292 5.897,293 19.196,294 4.159,295 2.027,296 0.978,297 0.433,298 0.313,299 0.313,300 4.237,304 1,305 1,306 907,307 3.742,310 79.673,311 272.107,312 96.857,314 135.263,316 154.499,318 2.044,319 41.074,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71.5,331 411,332 4.843,333 5.19,334 7.236,335 4.259,336 3.376,337 4.708,338 2.95,339 12.156,340 3.041,341 4.477,342 3.708,343 6.437,344 4.05,345 3.073,346 4.392,347 1.23,348 9.942,349 2.992,350 4.316,351 3.196,352 6.321,353 3.943,354 2.971,355 3.964,356 0.86,357 9.626,358 2.836,359 4.212,360 2.97,361 6.153,362 3.793,363 2.819,364 3.765,365 0.521,366 9.088,367 2.728,368 3.872,369 2.88,370 5.913,371 3.495,372 2.523,373 3.314,375 8.27,376 2.445,377 3.705,378 2.601,379 5.493,380 3.275,381 2.314,382 3.052,384 7.032,385 2.203,386 3.161,387 2.322,388 5.088,389 2.851,390 1.881,391 2.321,393 5.753,394 1.814,395 3.035,396 2.099,397 4.518,398 2.601,399 1.668,400 2.301,402 4.573,403 1.547,404 2.997,405 2.035,406 4.393,407 2.499,408 1.534,409 2.205,411 4.254,412 1.48,413 2.885,414 1.748,415 4.259,416 2.464,417 1.48,418 2.009,420 3.922,421 1.455,422 2.746,423 1.535,424 4.042,425 2.287,426 1.294,427 1.838,428 3.292,429 1.281,430 2.553,431 1.513,432 3.761,433 2.091,434 1.124,435 1.575,436 2.69,437 1.076,438 2.448,439 1.23,440 3.439,441 1.975,442 1.034,443 1.363,445 2.374,446 0.97,447 2.124,448 1.045,449 3.383,450 1.726,451 0.724,452 0.964,454 1.845,455 0.715,456 1.903,457 0.895,458 3.045,459 1.373,460 0.421,461 0.62,463 1.035,464 0.4,465 15.867,466 0.481,467 1.052,468 0.032,469 46.5,470 1.409,471 25,472 0.758,473 21.5,474 0.652,475 27.249,476 0.826,477 34.533,478 0.617,479 37.944,480 1.15,481 9.023,482 0.273,483 6.769,484 0.205,485 0.126,486 0.053,487 0.34,493 0.597,494 1.227,495 0.786,496 1.121,497 0.614,498 0.897,499 0.82,500 0.953,501 0.947,502 0.944,503 0.562,504 0.826,505 1.117,506 1.052,507 0.963,508 0.991,509 1.021,510 1.019,511 1.192,512 1.131,513 1.24,514 1.195,515 1.141,516 1.175,517 1.024,518 1.014,519 0.893,520 0.947,521 1.252,522 1.097,523 0.712,524 0.878,525 0.654,526 0.81,527 0.665,528 0.825,529 0.861,530 1.025,531 0.832,532 0.928,533 0.572,534 1.011,535 0.981,536 0.935,537 1.146,538 1.065,539 0.854,540 1.003,541 8,542 0.263,543 4.889,544 2.757,545 1.805,546 1.257,547 0.775,548 0.562,549 0.443,550 0.313,551 16139,552 46964,553 2.105,554 41.1,555 3,556 18,558 1,559 1,564 1.752,565 1.951,566 3.614,567 -0.352,569 1,573 92.319,574 1.649,575 3.78,576 4.829,577 5.374,578 5.495,579 5.495,580 3.048,581 4.393,582 5.016,583 3.798,584 2005.58,585 8.781,586 29670.4,591 325.212,592 1.6,593 4.962,594 0.216,595 0.008,596 0.089,597 0.047,598 0.035,599 0.029,600 0.018,601 0.013,602 0.011,603 0.009,604 0.474,605 0.5,606 0.75,607 0.718,608 174.984,609 0.045,610 -0.112,611 0.179,612 -0.041,613 -0.113,614 0.028,615 0.075,616 0.126,618 0.058,619 0.174,620 0.099,621 -0.123,622 -0.047,623 -0.099,624 -0.043,625 -0.091,626 -0.089,627 -0.18,628 -0.152,629 -0.269,630 -0.198,631 -0.096,632 -0.209,633 -0.052,634 -0.104,635 -0.075,636 -0.06,637 -0.126,638 -0.109,639 0.049,640 0.053,641 0.241,642 0.112,643 0.019,644 0.21,645 0.171,646 -0.043,647 0.014,648 -0.028,649 0.265,650 -0.066,651 -0.04,652 0.058,653 -0.072,654 -0.027,655 -0.033,656 -0.001,657 4.256,658 6.256,659 0.788,660 34.773,661 1.009,662 1.114,663 2.994,664 8.965,665 0.698,666 3.638,667 4.025,668 4.304,669 4.564,670 4.771,671 4.956,672 5.118,673 5.231,674 5.333,675 5.529,676 7.449,677 0.667,678 461.58,679 3.638,680 5.22,681 6.089,682 6.991,683 7.871,684 8.772,685 9.655,686 10.556,687 11.441,688 12.342,689 5.4,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,719 1,729 1,731 56,733 25,734 3,735 37,737 60,738 25,739 19,740 9,741 9,742 1,746 5,747 7,752 1,761 20,762 5,766 3,769 1,771 3,775 1,778 1,781 23,782 6,783 1,784 8,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 2,848 33,851 1,854 3,856 1,859 1,870 7.1,873 3,875 1,877 16.917,878 10.817,879 6.917,880 3.214,881 4.274,882 1.503,883 1.033,884 5.473,885 12.765,886 3.951,887 4.637,888 5.217,889 5.801,890 6.316,891 6.699,892 7.157,893 7.478,894 7.764,895 8.227,896 1,897 59,898 12.434,900 5.657,901 7.866,902 23.311,904 19.895,905 2.366,906 78.083,909 1,910 258.964,911 156.485,912 36.695,914 80.458,916 6.046,917 150.439,918 339.422,919 36.695,920 16.016,921 11.928,922 91.332,923 111.338,924 52.652,925 2.144,926 247.193,928 258.964,929 187.135,930 80.458,931 6.046,933 258.964,934 80.458,937 48.302,938 122.047,939 22.831,941 258.964,942 117.153,943 156.485,945 6.046,946 258.964,947 40.519,948 113.045,949 16.786,950 97.243,951 258.964,952 117.153,953 156.485,955 0.603,956 0.351,957 0.183,958 0.091,959 29,960 13,961 0.05,962 3,963 2,964 1.154,965 4.321,966 320.193,967 0.154,968 26,969 164.465,973 1,974 21.69,975 8.327,976 4.265,977 1.87,978 100.368,979 18.459,980 4.334,981 3.097,984 4.997,986 16.786,987 532.602,988 51,991 -3.339,993 37.072,997 -0.155,999 56.527,1000 62.405,1001 0.284,1002 0.651,1003 0.832,1004 0.925,1005 0.946,1006 0.946,1007 5.218,1008 1.668,1009 6.125,1010 5.753,1011 4.71,1012 5.325,1013 3.149,1014 6.995,1015 4.618,1016 6.479,1017 1.534,1018 7.731,1019 4.573,1020 4.511,1021 5.421,1022 0.325,1023 8.131,1024 4.33,1025 7.84,1026 1.48,1027 9.442,1028 4.254,1029 6.409,1030 7.674,1031 5.06,1032 11.17,1033 6.211,1034 9.239,1035 1.294,1036 11.216,1037 3.922,1038 6.995,1039 8.566,1040 0.74,1041 13.09,1042 6.691,1043 10.671,1044 1.124,1045 13.029,1046 3.292,1047 8.414,1048 10.347,1049 7.189,1050 15.706,1051 8.086,1052 12.126,1053 1.034,1054 14.87,1055 2.69,1056 9.331,1057 11.578,1058 1.168,1059 17.937,1060 8.896,1061 13.598,1062 0.724,1063 16.73,1064 2.374,1065 10.581,1066 13.189,1067 9.348,1068 20.432,1069 10.104,1070 3.376,1071 0.421,1072 18.606,1073 1.845,1074 11.642,1075 14.573,1076 1.605,1077 22.795,1078 11.062,1079 3.073,1080 12.156,1081 20.494,1082 1.035,1083 12.834,1084 16.121,1085 11.511,1086 25.262,1087 12.195,1088 2.971,1089 9.942,1090 22.393,1091 4.708,1092 13.958,1093 17.576,1094 2.049,1095 27.687,1096 13.22,1097 2.819,1098 9.626,1099 24.3,1100 4.392,1101 15.135,1102 19.103,1103 13.675,1104 30.154,1105 14.323,1106 2.523,1107 9.088,1108 26.216,1109 3.964,1110 16.289,1111 20.592,1112 2.494,1113 32.61,1114 15.38,1115 2.314,1116 8.27,1117 28.139,1118 3.765,1119 17.466,1120 22.114,1121 15.838,1122 35.085,1123 16.473,1124 1.881,1125 7.032,1126 30.068,1127 3.314,1128 18.636,1129 23.621,1130 2.938,1131 37.557,1132 17.546,1133 15013,1134 25751,1135 24.561,1136 39.097,1137 57.198,1138 59.963,1139 57.776,1140 56.586,1141 56.473,1142 76.787,1143 11.123,1144 171.704,1145 53.967,1146 5.763,1147 7.19,1148 6.764,1149 5.334,1150 5.376,1151 7.708,1152 5.9,1153 19.626,1154 5.041,1155 17.237,1156 1.546,1157 1.621,1158 1.562,1159 1.529,1160 1.526,1161 2.075,1162 0.301,1163 4.641,1164 1.459,1165 4.135,1166 4.164,1167 4.736,1168 4.112,1169 7.716,1170 4.052,1171 4.08,1172 4.069,1173 4.083,1174 4.024,1175 7.428,1176 4,1177 3.927,1178 3.951,1179 3.896,1180 3.816,1181 6.999,1182 3.824,1183 3.726,1184 3.72,1185 3.779,1186 3.655,1187 5.088,1188 3.594,1189 3.545,1190 3.588,1191 3.468,1192 3.378,1193 4.831,1194 3.381,1195 3.321,1196 3.376,1197 3.247,1198 3.161,1199 4.647,1200 3.173,1201 3.239,1202 3.3,1203 3.095,1204 3.059,1205 4.409,1206 3.049,1207 3.13,1208 3.205,1209 2.948,1210 2.962,1211 4.148,1212 2.951,1213 0.131,1214 0.14,1215 0.196,1216 0.115,1217 0.091,1218 4.843,1219 0.127,1220 5.19,1221 0.08,1222 7.236,1223 0.329,1224 4.259,1225 0.082,1226 3.376,1227 4.708,1228 2.95,1229 12.156,1230 3.041,1231 2.009,1232 2.013,1233 2.082,1234 2.078,1235 1.273,1236 2.097,1237 1.995,1238 1.984,1239 2.024,1240 2.052,1241 1.242,1242 2.074,1243 1.793,1244 1.769,1245 1.89,1246 1.901,1247 1.096,1248 1.903,1249 1.627,1250 1.63,1251 1.786,1252 1.827,1253 1.017,1254 1.833,1255 1.502,1256 1.46,1257 1.589,1258 1.67,1259 0.857,1260 1.722,1261 1.367,1262 1.288,1263 1.548,1264 1.654,1265 0.65,1266 1.625,1267 1.231,1268 1.167,1269 1.527,1270 1.449,1271 0.6,1272 1.481,1273 1.155,1274 1.096,1275 1.413,1276 1.355,1277 0.448,1278 1.379,1279 4.317,1281 5.687,1282 2.398,1283 7.236,1284 4.727,1285 8.866,1286 6.804,1287 10.537,1289 2.873,1295 1.228,1297 5.91,1300 1.738,1305 37.378,1306 92.319,1307 211.689,1308 270.418,1309 300.947,1310 307.702,1311 307.702,1312 65.81,1313 8.491,1314 92.36,1315 100.74,1316 30,1317 12.866,1318 4.7,1319 3.907,1320 47.914,1321 149,1322 129,1323 0.157,1324 228.909,1325 393.29,1326 550.299,1327 64985,1329 23.165,1330 0.702,1331 0.58,1332 23.415,1333 19.147,1334 15.792,1335 0.427,1336 0.337,1337 10.616,1338 14.494,1339 10.128,1340 8.363,1341 16.686,1342 12.478,1343 15.426,1344 0.28,1345 0.187,1346 16.795,1347 10.269,1348 12.742,1349 0.175,1350 0.098,1351 13.513,1352 7.161,1353 10.84,1354 0.114,1355 0.055,1356 11.559,1357 5.199,1358 8.254,1359 0.071,1360 0.027,1361 8.578,1362 3.118,1363 0.248,1364 107.663,1365 0.202,1366 30.647,1367 0.426,1368 184,1369 549.426,1370 232.628,1371 550.599,1372 749.41,1373 510,1374 220,1375 528.069,1376 276.226,1377 569.287,1378 829.18,1379 532,1380 6.338}
{0 CHEMBL2331664,1 1.603,2 11.939,3 0.937,4 0.878,5 120.811,6 7.569,7 0.459,8 4.192,9 4.313,10 3.778,11 3.7,12 5.299,13 3.696,14 4.76,15 4.944,16 4.192,17 4.119,18 5.831,19 4.103,20 5.03,21 5.228,22 4.327,23 4.302,24 6.192,25 4.27,26 5.132,27 5.341,28 4.268,29 4.336,30 6.226,31 4.28,32 5.129,33 5.342,34 4.231,35 4.324,36 6.22,37 4.258,38 5.111,39 5.344,40 4.143,41 4.292,42 6.108,43 4.203,44 5.056,45 5.309,46 4.08,47 4.22,48 6.024,49 4.125,50 4.951,51 5.193,52 4.041,53 4.112,54 6.062,55 4.038,56 0.057,57 0.93,58 11.784,59 5.009,60 12.722,61 6.683,62 0.392,63 1.525,64 23.783,65 8.114,66 30.276,67 11.573,68 0.602,69 1.877,70 32.578,71 10.798,72 74.059,73 15.102,74 0.678,75 1.972,76 37.387,77 12.084,78 87.191,79 16.55,80 0.66,81 1.91,82 37.718,83 12.517,84 101.057,85 17.318,86 0.635,87 1.899,88 37.399,89 12.291,90 75.139,91 17.646,92 0.534,93 1.803,94 35.828,95 11.743,96 56.363,97 17.327,98 0.563,99 1.596,100 32.196,101 10.432,102 72.507,103 15.171,104 39,105 55,106 0.259,107 0.613,108 0.828,109 0.855,110 0.855,111 0.855,112 3.533,113 0.901,114 -1.66,115 -1.73,116 -1.76,119 40.7,120 2,121 2,124 1,125 2,127 2,142 4,143 1,144 2,145 2,146 4,158 1,159 1,172 3,174 4,175 10,180 1,183 4,186 3,187 6,190 2,195 3,198 4,199 9,207 3,211 2,212 7,217 2,220 3,223 3,224 8,232 3,236 3,237 6,240 1,245 5,249 4,250 3,258 2,262 2,263 9,266 2,271 2,275 2006,276 22.068,277 22.068,278 22.068,279 22.068,280 22.068,281 19.934,282 25.922,283 12.463,284 22.556,285 18.169,286 18.169,287 18.169,288 18.169,289 18.169,290 14.73,291 37.6,292 5.853,293 18.935,294 4.28,295 2.084,296 0.75,297 0.581,298 0.581,299 0.581,300 4.236,304 1,305 1,306 858,307 3.464,310 61.984,311 326.873,314 108.369,315 119.672,318 1.877,319 39.824,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 72,331 394,332 4.735,333 3.942,334 7.23,335 4.389,336 3.44,337 4.583,338 2.035,339 12.788,340 3.262,341 4.286,342 3.831,343 6.366,344 3.918,345 2.951,346 3.84,347 1.741,348 9.689,349 2.853,350 4.077,351 3.114,352 6.283,353 3.865,354 2.899,355 3.557,356 0.693,357 9.197,358 2.792,359 4.039,360 2.838,361 6.08,362 3.636,363 2.663,364 3.231,365 0.642,366 8.76,367 2.584,368 3.667,369 2.767,370 5.988,371 3.438,372 2.482,373 3.076,374 0.343,375 8.241,376 2.372,377 3.574,378 2.527,379 5.397,380 3.234,381 2.268,382 2.742,383 0.129,384 6.221,385 2.188,386 3.341,387 2.397,388 5.04,389 2.919,390 1.98,391 2.615,393 6.057,394 1.88,395 3.179,396 2.334,397 5.029,398 2.885,399 1.902,400 2.321,402 5.536,403 1.834,404 2.921,405 2.026,406 4.78,407 2.625,408 1.676,409 2.068,411 4.813,412 1.581,413 2.832,414 1.824,415 4.398,416 2.409,417 1.436,418 1.865,420 4.094,421 1.394,422 2.5,423 1.527,424 4.219,425 2.112,426 1.165,427 1.5,428 3.322,429 1.098,430 2.403,431 1.28,432 3.485,433 1.984,434 1,435 1.375,436 2.275,437 0.983,438 2.263,439 1.136,440 3.414,441 1.959,442 1,443 1.165,445 2.275,446 0.956,447 2.078,448 1.077,449 3.414,450 1.784,451 0.83,452 1,454 2.016,455 0.788,456 2,457 1,458 3.266,459 1.695,460 0.677,461 0.834,463 1.542,464 0.674,465 15.4,466 0.467,467 0.998,468 0.03,469 43,470 1.303,471 20,472 0.606,473 23,474 0.697,475 31.029,476 0.94,477 35.6,478 0.603,479 35.371,480 1.072,481 8.164,482 0.247,483 7.683,484 0.233,485 0.162,487 0.435,493 0.772,494 1.549,495 0.752,496 1.175,497 0.651,498 0.994,499 0.753,500 1.143,501 0.762,502 0.887,503 0.59,504 0.823,505 0.963,506 1.053,507 0.921,508 0.955,509 0.837,510 0.925,511 1.293,512 0.976,513 1.125,514 0.983,515 1.386,516 1.017,517 1.213,518 1.053,519 1.066,520 1.004,521 1.317,522 1.016,523 0.969,524 1.033,525 1.055,526 1.006,527 0.945,528 1.04,529 0.719,530 0.953,531 0.926,532 0.968,533 0.629,534 0.972,535 0.784,536 0.934,537 0.891,538 0.951,539 0.7,540 0.931,541 6.5,542 0.276,543 4.889,544 3.049,545 2.392,546 1.587,547 0.886,548 0.765,549 0.588,550 0.352,551 14512,552 39018,553 2.094,554 44.1,556 13,558 2,559 1,560 3,561 3,562 4,564 1.757,565 1.922,566 3.507,567 -0.322,569 1,573 94.561,574 1.603,575 3.798,576 5.132,577 5.302,578 5.302,579 5.302,580 3.016,581 4.597,582 5.009,583 3.674,584 1940.05,585 8.803,586 27710.9,588 1,591 347.076,592 1.501,593 4.959,594 0.176,595 0.009,596 0.089,597 0.05,598 0.043,599 0.029,600 0.018,601 0.017,602 0.013,603 0.009,604 0.453,605 0.5,606 0.88,607 0.906,608 172.492,609 -0.053,610 -0.33,611 0.06,612 -0.101,613 -0.062,614 -0.021,615 0.088,616 0.006,617 0.142,618 0.102,619 0.044,620 0.126,621 0.032,622 0.034,623 0.021,624 0.023,625 0.073,626 0.023,627 -0.175,628 0.061,629 -0.152,630 -0.014,631 -0.179,632 -0.07,633 -0.122,634 -0.061,635 -0.089,636 -0.011,637 -0.128,638 -0.042,639 -0.059,640 -0.035,641 -0.085,642 -0.022,643 -0.088,644 -0.056,645 0.041,646 0.04,647 0.046,648 0.008,649 0.009,650 0.026,651 0.111,652 0.055,653 0.092,654 0.023,655 0.147,656 0.056,657 2.351,658 6.287,659 0.758,660 35.44,661 1.007,662 1.132,663 0.433,664 0.187,665 0.661,666 3.638,667 4.025,668 4.369,669 4.673,670 4.99,671 5.17,672 5.398,673 5.609,674 5.793,675 5.919,676 6.866,677 0.636,678 446.56,679 3.638,680 5.22,681 6.111,682 7.024,683 7.936,684 8.858,685 9.78,686 10.707,687 11.636,688 12.568,689 10.2,696 3,699 3,703 2,704 6,705 3,709 5,711 17,731 59,733 19,735 37,737 63,738 24,739 13,746 5,747 8,751 1,752 2,755 3,758 4,761 15,762 9,766 2,771 2,775 2,778 1,781 26,782 9,783 1,784 9,790 6,794 0.6,795 3,797 1,805 3,811 1,812 4,815 1,816 1,827 1,838 1,840 3,844 3,848 33,853 1,854 4,858 2,859 3,870 5.1,871 1,873 2,877 17.167,878 11.65,879 7.056,880 3.672,881 3.395,882 1.392,883 0.967,884 5.513,885 12.049,886 3.882,887 4.5,888 5.119,889 5.715,890 6.355,891 6.777,892 7.289,893 7.789,894 8.267,895 8.614,896 1,897 61,898 12.302,900 5.441,901 7.823,902 23.351,904 19.815,905 2.323,906 76.667,910 294.278,911 118.808,912 59.73,914 92.973,917 118.808,918 387.251,919 59.73,920 26.047,921 18.653,922 80.588,923 128.893,924 36.596,925 4.276,926 270.735,928 294.278,929 178.538,930 92.973,933 211.88,934 132.688,935 42.683,937 64.2,938 63.981,939 50.357,941 294.278,942 152.703,943 118.808,946 294.278,947 36.762,948 91.42,950 143.33,951 294.278,952 152.703,953 118.808,955 0.601,956 0.364,957 0.189,958 0.108,959 29,960 14,961 0.048,962 3,963 2,964 1.16,965 4.21,966 331.485,967 0.16,968 25,969 162.465,974 21.751,975 8.364,976 3.734,977 1.387,978 152.703,979 11.278,980 13.824,984 4.08,986 42.683,987 565.789,988 47.5,993 25.459,997 -0.393,999 59.429,1000 66.77,1001 0.272,1002 0.646,1003 0.872,1004 0.901,1005 0.901,1006 0.901,1007 5.166,1008 1.902,1009 6.133,1010 6.057,1011 4.71,1012 5.187,1013 2.704,1014 7.02,1015 4.628,1016 6.386,1017 1.676,1018 7.746,1019 5.536,1020 4.443,1021 5.094,1022 2.125,1023 8.072,1024 4.318,1025 7.713,1026 1.436,1027 9.459,1028 4.813,1029 6.382,1030 7.395,1031 3.612,1032 11.224,1033 6.215,1034 9.074,1035 1.165,1036 11.228,1037 4.094,1038 6.919,1039 8.114,1040 3.668,1041 13.121,1042 6.704,1043 10.469,1044 1,1045 13.035,1046 3.322,1047 8.363,1048 9.934,1049 4.776,1050 15.826,1051 8.105,1052 11.888,1053 1,1054 14.867,1055 2.275,1056 9.259,1057 11.04,1058 5.117,1059 18.09,1060 8.948,1061 13.325,1062 0.83,1063 16.72,1064 2.275,1065 10.529,1066 12.672,1067 6.039,1068 20.663,1069 10.171,1070 3.44,1071 0.677,1072 18.589,1073 2.016,1074 11.59,1075 13.977,1076 6.531,1077 23.087,1078 11.177,1079 2.951,1080 12.788,1081 20.471,1082 1.542,1083 12.802,1084 15.532,1085 7.354,1086 25.626,1087 12.339,1088 2.899,1089 9.689,1090 22.365,1091 4.583,1092 13.942,1093 16.94,1094 7.932,1095 28.12,1096 13.421,1097 2.663,1098 9.197,1099 24.269,1100 3.84,1101 15.141,1102 18.464,1103 8.702,1104 30.656,1105 14.568,1106 2.482,1107 8.76,1108 26.181,1109 3.557,1110 16.319,1111 19.925,1112 9.331,1113 33.179,1114 15.688,1115 2.268,1116 8.241,1117 28.102,1118 3.231,1119 17.521,1120 21.44,1121 10.072,1122 35.718,1123 16.836,1124 1.98,1125 6.221,1126 30.029,1127 3.076,1128 18.719,1129 22.928,1130 10.732,1131 38.254,1132 17.976,1133 13773,1134 22700,1135 24.391,1136 39.012,1137 57.741,1138 59.46,1139 59.589,1140 57.025,1141 56.912,1142 71.774,1143 11.167,1144 174.074,1145 54.653,1146 5.735,1147 5.942,1148 6.644,1149 5.449,1150 5.44,1151 7.583,1152 3.579,1153 20.506,1154 5.238,1155 18.921,1156 1.561,1157 1.607,1158 1.611,1159 1.541,1160 1.538,1161 1.94,1162 0.302,1163 4.705,1164 1.477,1165 4.127,1166 4.164,1167 4.103,1168 4.01,1169 7.43,1170 4.028,1171 3.899,1172 3.946,1173 3.841,1174 3.778,1175 7.426,1176 3.788,1177 3.843,1178 3.89,1179 3.763,1180 3.692,1181 6.444,1182 3.7,1183 3.643,1184 3.686,1185 3.586,1186 3.458,1187 5.063,1188 3.481,1189 3.541,1190 3.592,1191 3.417,1192 3.365,1193 4.849,1194 3.369,1195 3.261,1196 3.323,1197 3.175,1198 3.09,1199 4.438,1200 3.097,1201 3.128,1202 3.22,1203 2.962,1204 2.941,1205 4.297,1206 2.91,1207 3.111,1208 3.206,1209 2.897,1210 2.909,1211 4.113,1212 2.901,1213 0.128,1214 0.107,1215 0.195,1216 0.119,1217 0.093,1218 4.735,1219 0.124,1220 3.942,1221 0.055,1222 7.23,1223 0.346,1224 4.389,1225 0.088,1226 3.44,1227 4.583,1228 2.035,1229 12.788,1230 3.262,1231 2.013,1232 1.985,1233 2.075,1234 2.129,1235 1.409,1236 2.114,1237 1.846,1238 1.8,1239 2.022,1240 2.027,1241 1.166,1242 2.027,1243 1.801,1244 1.755,1245 1.919,1246 1.94,1247 1.005,1248 1.937,1249 1.542,1250 1.498,1251 1.786,1252 1.784,1253 0.931,1254 1.776,1255 1.479,1256 1.427,1257 1.685,1258 1.705,1259 0.825,1260 1.7,1261 1.314,1262 1.257,1263 1.55,1264 1.522,1265 0.765,1266 1.525,1267 1.161,1268 1.092,1269 1.513,1270 1.383,1271 0.667,1272 1.429,1273 1.153,1274 1.064,1275 1.425,1276 1.376,1277 0.578,1278 1.405,1279 4.317,1281 5.687,1282 2.398,1283 7.258,1284 4.949,1285 8.917,1286 7.222,1287 10.625,1289 5.165,1294 9.629,1295 2.244,1299 -1.091,1300 5.086,1305 37.541,1306 94.561,1307 224.101,1308 302.811,1309 312.811,1310 312.811,1311 312.811,1312 66.98,1313 8.654,1314 106.14,1315 106.14,1316 29,1317 13.07,1318 4.322,1319 3.524,1320 47.653,1321 130,1322 156,1323 0.176,1324 227.5,1325 395.23,1326 546.86,1327 72170,1329 23.275,1330 0.705,1331 0.573,1332 23.275,1333 18.894,1334 15.846,1335 0.428,1336 0.3,1337 10.94,1338 15.164,1339 10.628,1340 8.765,1341 15.846,1342 11.114,1343 14.909,1344 0.271,1345 0.158,1346 14.909,1347 8.689,1348 13.388,1349 0.172,1350 0.083,1351 13.388,1352 6.468,1353 10.853,1354 0.102,1355 0.044,1356 10.853,1357 4.614,1358 9.403,1359 0.064,1360 0.024,1361 9.403,1362 3.434,1363 0.271,1364 99.823,1365 0.202,1366 30.193,1367 0.497,1368 184,1369 535.491,1370 204.104,1371 514.837,1372 710.49,1373 482,1374 225,1375 533.151,1376 247.409,1377 536.919,1378 798.16,1379 506,1380 9.886}
{0 CHEMBL2332918,1 1.728,2 13.829,3 4.753,4 22.586,5 123.439,6 8.718,7 0.564,8 4.14,9 4.234,10 3.827,11 3.704,12 5.35,13 3.721,14 4.695,15 4.83,16 4.289,17 4.099,18 6.275,19 4.114,20 4.928,21 5.08,22 4.36,23 4.271,24 6.389,25 4.26,26 5.017,27 5.197,28 4.225,29 4.267,30 6.256,31 4.222,32 4.978,33 5.175,34 4.158,35 4.193,36 6.256,37 4.146,38 4.911,39 5.137,40 4.03,41 4.112,42 6.022,43 4.046,44 4.78,45 4.978,46 4.042,47 4.02,48 5.99,49 3.985,50 4.734,51 4.907,52 4.061,53 3.987,54 6.232,55 3.949,56 0.187,57 0.993,58 7.718,59 5.058,60 29.865,61 5.288,62 0.983,63 1.984,64 17.912,65 8.562,66 150.072,67 9.14,68 0.992,69 1.85,70 23.511,71 10.731,72 147.03,73 12.017,74 0.859,75 1.937,76 28.675,77 12.58,78 104.534,79 14.298,80 0.989,81 1.977,82 29.78,83 12.479,84 131.123,85 14.188,86 0.802,87 1.743,88 29.872,89 11.938,90 114.55,91 14.805,92 0.741,93 1.448,94 24.407,95 9.767,96 97.03,97 12.028,98 1.04,99 1.495,100 21.362,101 9.095,102 139.045,103 10.801,104 39,105 58,106 0.28,107 0.614,108 0.742,109 0.834,110 0.868,111 0.868,112 3.588,113 0.84,114 -4.75,115 -4.66,116 -4.38,119 47.3,120 1,125 3,132 1,142 10,143 5,144 1,146 1,152 1,157 1,158 1,161 1,172 14,174 1,175 8,178 1,180 2,183 16,186 1,187 11,192 2,195 13,199 12,204 1,207 9,211 1,212 10,217 1,220 7,224 10,229 2,232 7,236 2,237 6,242 2,245 11,249 2,250 3,258 13,263 2,266 2,271 11,275 2249,276 23.09,277 23.09,278 23.09,279 23.09,280 23.09,281 20.423,282 18.551,283 13.076,284 23.663,285 19.22,286 19.22,287 19.22,288 19.22,289 19.22,290 14.958,291 19.897,292 6.208,293 20.187,294 4.053,295 1.995,296 1.204,297 0.637,298 0.427,299 0.427,300 4.291,304 1,305 1,306 1059,307 4.123,310 86.083,311 297.65,312 107.073,314 147.26,316 170.386,318 2.291,319 58.01,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 79,331 484,332 4.514,333 4.572,334 7.182,335 4.242,336 3.349,337 4.45,338 3.904,339 11.845,340 3.065,341 4.5,342 3.707,343 6.434,344 4.064,345 3.087,346 3.977,347 1.23,348 9.948,349 3.016,350 4.327,351 3.198,352 6.341,353 3.97,354 3.002,355 3.921,356 0.86,357 9.703,358 2.899,359 4.201,360 3.13,361 6.183,362 3.826,363 2.849,364 3.569,365 0.766,366 9.194,367 2.77,368 3.897,369 3.043,370 5.934,371 3.534,372 2.564,373 3.349,374 0.521,375 8.359,376 2.48,377 3.682,378 2.677,379 5.576,380 3.328,381 2.389,382 2.931,384 7.298,385 2.188,386 3.329,387 2.372,388 5.184,389 2.949,390 1.996,391 2.636,393 6.149,394 1.878,395 3.22,396 2.202,397 4.817,398 2.882,399 1.929,400 2.361,402 5.365,403 1.829,404 3.026,405 2.15,406 4.518,407 2.589,408 1.652,409 2.284,411 4.551,412 1.539,413 2.911,414 2.032,415 4.42,416 2.49,417 1.525,418 2.044,420 4.32,421 1.469,422 2.859,423 1.666,424 4.252,425 2.386,426 1.393,427 2.004,428 3.815,429 1.379,430 2.562,431 1.529,432 3.946,433 2.181,434 1.185,435 1.5,436 2.87,437 1.16,438 2.5,439 1.433,440 3.664,441 2,442 1,443 1.477,445 2.275,446 1,447 2.352,448 1.214,449 3.414,450 1.895,451 0.906,452 1.186,454 2.254,455 0.875,456 2.119,457 1,458 3.373,459 1.671,460 0.639,461 0.907,463 1.634,464 0.646,465 16.057,466 0.459,467 1.158,468 0.033,469 46.5,470 1.329,471 23.5,472 0.671,473 23,474 0.657,475 28.992,476 0.828,477 37.343,478 0.679,479 41.552,480 1.187,481 9.518,482 0.272,483 7.168,484 0.205,485 0.126,486 0.031,487 0.367,490 3,493 0.592,494 0.968,495 0.61,496 0.998,497 0.561,498 0.867,499 0.546,500 0.747,501 0.679,502 0.887,503 0.418,504 0.851,505 0.6,506 0.772,507 0.865,508 0.979,509 0.427,510 1.007,511 0.818,512 0.848,513 1.047,514 1.101,515 0.761,516 1.157,517 0.916,518 0.94,519 1.067,520 1.055,521 0.963,522 1.106,523 0.725,524 0.819,525 0.915,526 0.995,527 0.684,528 1.02,529 0.609,530 0.693,531 0.793,532 0.91,533 0.44,534 0.923,535 0.487,536 0.658,537 0.914,538 1.032,539 0.457,540 1.126,541 9,542 0.277,543 5.111,544 2.917,545 1.974,546 1.216,547 0.895,548 0.612,549 0.473,550 0.34,551 19295,552 66791,553 2.082,554 36.4,556 16,559 1,560 3,564 1.765,565 1.918,566 3.747,567 -0.345,573 95.06,574 1.728,575 3.786,576 4.577,577 5.145,578 5.354,579 5.354,580 3.214,581 4.572,582 5.099,583 3.936,584 2341.89,585 8.941,586 36811.3,591 317.975,592 1.628,593 5.041,594 0.231,595 0.008,596 0.088,597 0.047,598 0.037,599 0.025,600 0.02,601 0.014,602 0.011,603 0.009,604 0.489,605 0.33,606 0.75,607 0.876,608 190.394,609 -0.036,610 -0.071,611 0.031,612 -0.025,613 -0.073,614 0.016,615 0.279,616 0.249,617 0.123,618 0.076,619 0.316,620 0.047,621 0.115,622 0.031,623 -0.037,624 -0.034,625 0.208,626 -0.072,627 -0.096,628 -0.12,629 -0.139,630 -0.132,631 -0.044,632 -0.152,633 -0.068,634 -0.057,635 -0.097,636 -0.059,637 -0.077,638 -0.08,639 -0.018,640 -0.02,641 0.084,642 0.002,643 -0.019,644 0.065,645 0.049,646 -0.03,647 0.147,648 0.047,649 0.095,650 0.11,651 0.301,652 0.145,653 -0.007,654 -0.074,655 0.264,656 -0.15,657 6.213,658 6.096,659 0.743,660 42.137,661 1.03,662 1.133,663 3.516,664 12.365,665 0.687,666 3.689,667 4.078,668 4.344,669 4.585,670 4.82,671 4.97,672 5.17,673 5.318,674 5.394,675 5.568,676 8.103,677 0.684,678 479.49,679 3.689,680 5.273,681 6.138,682 7.036,683 7.914,684 8.811,685 9.693,686 10.589,687 11.475,688 12.37,689 5.5,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,716 1,719 1,729 1,731 55,733 24,734 3,735 39,737 59,738 26,739 19,740 8,741 10,742 2,746 5,747 7,752 2,757 1,761 21,762 5,766 2,771 2,775 2,779 3,781 20,782 8,783 1,784 9,787 1,790 3,794 0.6,795 3,811 1,812 3,813 1,815 1,817 1,840 3,844 1,846 3,848 35,854 3,856 1,859 1,860 1,869 3,870 5.5,873 2,875 1,877 18.25,878 10.412,879 7.333,880 3.235,881 4.223,882 1.488,883 1.027,884 5.86,885 12.881,886 3.97,887 4.618,888 5.225,889 5.792,890 6.34,891 6.695,892 7.179,893 7.57,894 7.84,895 8.284,896 1,897 62,898 13.85,900 6.935,901 8.217,902 23.911,904 20.074,905 2.717,906 95.083,910 223.651,911 157.777,912 36.695,914 61.29,915 44.88,917 157.777,918 284.941,919 81.576,920 8.825,921 11.928,922 94.762,923 79.241,924 95.981,925 2.144,926 223.651,927 7.76,928 223.651,929 194.472,930 106.17,933 223.651,934 106.17,937 49.77,938 127.916,939 16.786,941 268.531,942 97.985,943 157.777,946 231.41,947 46.429,948 106.712,949 16.786,950 122.956,951 223.651,952 142.865,953 157.777,955 0.604,956 0.349,957 0.175,958 0.093,959 30,960 14,961 0.051,962 3,963 2,964 1.154,965 4.491,966 342.186,967 0.154,968 26,969 170.77,974 23.134,975 8.866,976 4.669,977 1.805,978 126.08,979 16.27,980 4.484,981 3.196,984 3.924,986 16.786,987 524.293,988 52,993 24.507,997 -2.296,999 56.661,1000 62.294,1001 0.299,1002 0.655,1003 0.792,1004 0.89,1005 0.926,1006 0.926,1007 5.244,1008 1.929,1009 6.176,1010 6.149,1011 4.762,1012 5.306,1013 3.368,1014 7.038,1015 4.677,1016 6.49,1017 1.652,1018 7.779,1019 5.365,1020 4.575,1021 5.247,1022 3.911,1023 8.148,1024 4.387,1025 7.827,1026 1.525,1027 9.486,1028 4.551,1029 6.457,1030 7.551,1031 5.547,1032 11.178,1033 6.28,1034 9.198,1035 1.393,1036 11.253,1037 4.32,1038 7.04,1039 8.266,1040 6.781,1041 13.059,1042 6.762,1043 10.598,1044 1.185,1045 13.058,1046 3.815,1047 8.452,1048 10.084,1049 8.186,1050 15.663,1051 8.167,1052 12.018,1053 1,1054 14.889,1055 2.87,1056 9.361,1057 11.159,1058 9.529,1059 17.853,1060 8.986,1061 13.452,1062 0.906,1063 16.74,1064 2.275,1065 10.606,1066 12.776,1067 10.898,1068 20.328,1069 10.202,1070 3.349,1071 0.639,1072 18.606,1073 2.254,1074 11.657,1075 14.033,1076 12.257,1077 22.652,1078 11.171,1079 3.087,1080 11.845,1081 20.485,1082 1.634,1083 12.843,1084 15.56,1085 13.62,1086 25.092,1087 12.311,1088 3.002,1089 9.948,1090 22.374,1091 4.45,1092 13.958,1093 16.913,1094 14.981,1095 27.48,1096 13.347,1097 2.849,1098 9.703,1099 24.272,1100 3.977,1101 15.127,1102 18.401,1103 16.343,1104 29.916,1105 14.459,1106 2.564,1107 9.194,1108 26.177,1109 3.921,1110 16.272,1111 19.806,1112 17.705,1113 32.337,1114 15.526,1115 2.389,1116 8.359,1117 28.09,1118 3.569,1119 17.44,1120 21.279,1121 19.067,1122 34.779,1123 16.627,1124 1.996,1125 7.298,1126 30.008,1127 3.349,1128 18.601,1129 22.714,1130 20.429,1131 37.218,1132 17.71,1133 18087,1134 33980,1135 25.66,1136 37.807,1137 61.143,1138 61.622,1139 61.631,1140 60.081,1141 59.781,1142 78.441,1143 14.562,1144 181.376,1145 57.194,1146 5.435,1147 6.572,1148 6.71,1149 5.315,1150 5.349,1151 7.45,1152 5.553,1153 19.306,1154 5.065,1155 20.063,1156 1.568,1157 1.58,1158 1.58,1159 1.541,1160 1.533,1161 2.011,1162 0.373,1163 4.651,1164 1.467,1165 4.133,1166 4.17,1167 4.097,1168 4.04,1169 8.516,1170 4.048,1171 3.984,1172 4.01,1173 3.943,1174 3.892,1175 7.999,1176 3.898,1177 3.903,1178 3.925,1179 3.858,1180 3.811,1181 7.999,1182 3.819,1183 3.626,1184 3.666,1185 3.604,1186 3.429,1187 7.428,1188 3.453,1189 3.505,1190 3.536,1191 3.451,1192 3.289,1193 7.418,1194 3.32,1195 3.387,1196 3.446,1197 3.291,1198 3.209,1199 5.069,1200 3.226,1201 3.203,1202 3.251,1203 3.095,1204 2.977,1205 4.829,1206 2.985,1207 3.014,1208 3.069,1209 2.902,1210 2.852,1211 4.664,1212 2.86,1213 0.116,1214 0.117,1215 0.184,1216 0.109,1217 0.086,1218 4.514,1219 0.114,1220 4.572,1221 0.1,1222 7.182,1223 0.304,1224 4.242,1225 0.079,1226 3.349,1227 4.45,1228 3.904,1229 11.845,1230 3.065,1231 2.005,1232 1.986,1233 2.082,1234 2.076,1235 1.25,1236 2.079,1237 1.928,1238 1.91,1239 2.017,1240 2.024,1241 1.14,1242 2.019,1243 1.791,1244 1.767,1245 1.89,1246 1.901,1247 1.062,1248 1.899,1249 1.567,1250 1.514,1251 1.783,1252 1.811,1253 1.015,1254 1.799,1255 1.526,1256 1.454,1257 1.744,1258 1.761,1259 0.794,1260 1.756,1261 1.315,1262 1.301,1263 1.437,1264 1.612,1265 0.632,1266 1.527,1267 1.171,1268 1.125,1269 1.329,1270 1.391,1271 0.361,1272 1.393,1273 0.961,1274 0.906,1275 1.22,1276 1.182,1277 0.291,1278 1.205,1279 4.369,1281 5.74,1282 2.398,1283 7.286,1284 4.844,1285 8.906,1286 6.986,1287 10.565,1289 1.896,1291 37.981,1295 0.862,1297 5.836,1300 1.58,1301 -4.963,1305 37.626,1306 95.06,1307 208.252,1308 251.736,1309 282.955,1310 294.465,1311 294.465,1312 76.915,1313 8.658,1314 75.29,1315 75.29,1316 30,1317 12.897,1318 4.644,1319 3.807,1320 52.384,1321 171,1322 162,1323 0.148,1324 224.042,1325 398.86,1326 538.422,1327 80727,1328 5.5,1329 24.742,1330 0.707,1331 0.533,1332 22.242,1333 18.648,1334 16.686,1335 0.428,1336 0.28,1337 10.725,1338 15.907,1339 10.529,1340 8.617,1341 15.474,1342 10.922,1343 16.379,1344 0.282,1345 0.144,1346 14.468,1347 8.356,1348 13.57,1349 0.179,1350 0.078,1351 12.44,1352 5.914,1353 10.869,1354 0.112,1355 0.043,1356 10.329,1357 4.171,1358 8.815,1359 0.072,1360 0.023,1361 8.411,1362 2.884,1363 0.237,1364 105.819,1365 0.197,1366 32.37,1367 0.397,1368 194,1369 775.163,1370 225.456,1371 663.638,1372 875.79,1373 616,1374 231,1375 620.615,1376 257.771,1377 608.593,1378 916.02,1379 572,1380 7.051}
{0 CHEMBL2332919,1 1.712,2 12.406,3 4.606,4 21.214,5 113.559,6 8.749,7 0.611,8 4.053,9 4.149,10 3.748,11 3.622,12 5.251,13 3.639,14 4.606,15 4.74,16 4.202,17 4.025,18 6.205,19 4.037,20 4.831,21 4.988,22 4.242,23 4.194,24 6.06,25 4.175,26 4.954,27 5.142,28 4.124,29 4.16,30 6.221,31 4.12,32 4.854,33 5.065,34 3.989,35 4.073,36 6.034,37 4.011,38 4.737,39 4.95,40 3.943,41 4.005,42 5.794,43 3.941,44 4.738,45 4.935,46 4.028,47 3.94,48 6.194,49 3.906,50 4.616,51 4.805,52 3.882,53 3.869,54 5.77,55 3.83,56 0.163,57 0.932,58 6.972,59 4.544,60 24.668,61 4.743,62 0.94,63 1.884,64 15.948,65 7.698,66 136.825,67 8.006,68 0.555,69 1.777,70 20.799,71 10.316,72 46.878,73 11.662,74 0.948,75 1.943,76 28.17,77 11.736,78 115.13,79 12.546,80 0.861,81 1.667,82 27.271,83 11.069,84 114.67,85 13.077,86 0.493,87 1.423,88 23.104,89 9.958,90 61.744,91 12.797,92 1.068,93 1.461,94 23.853,95 9.043,96 139.938,97 11.065,98 0.537,99 1.394,100 19.148,101 8.53,102 62.946,103 9.955,104 18,105 53,106 0.283,107 0.608,108 0.749,109 0.852,110 0.872,111 0.872,112 3.502,113 0.837,114 -5.19,115 -5.08,116 -4.75,119 48,125 3,132 1,142 10,143 5,144 1,146 1,152 1,158 1,160 1,172 14,174 1,175 6,178 1,180 1,183 16,186 1,187 9,192 2,195 13,199 10,204 1,207 7,211 1,212 9,217 1,220 5,224 10,229 2,232 6,237 6,242 2,245 9,249 2,250 3,258 11,263 1,266 2,271 11,275 1750,276 21.436,277 21.436,278 21.436,279 21.436,280 21.436,281 18.885,282 16.858,283 12.245,284 22.03,285 17.766,286 17.766,287 17.766,288 17.766,289 17.766,290 13.793,291 19.809,292 5.793,293 18.776,294 3.932,295 1.966,296 1.119,297 0.495,298 0.375,299 0.375,300 4.21,304 1,305 1,306 880,307 3.674,310 76.587,311 261.493,312 93.457,314 130.008,316 148.693,318 2.057,319 49.23,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 72,331 397,332 4.478,333 4.46,334 7.111,335 4.179,336 3.316,337 4.392,338 3.825,339 11.659,340 3.02,341 4.453,342 3.706,343 6.432,344 4.05,345 3.073,346 3.966,347 1.23,348 9.927,349 2.957,350 4.303,351 3.195,352 6.319,353 3.94,354 2.969,355 3.895,356 0.86,357 9.609,358 2.811,359 4.161,360 2.969,361 6.151,362 3.788,363 2.814,364 3.469,365 0.521,366 9.074,367 2.72,368 3.86,369 2.603,370 5.912,371 3.489,372 2.516,373 3.303,375 8.263,376 2.441,377 3.425,378 2.392,379 5.237,380 3.099,381 2.156,382 2.606,384 6.379,385 2.012,386 3.035,387 2.225,388 4.624,389 2.603,390 1.668,391 2.302,393 4.78,394 1.55,395 3.004,396 2.075,397 4.515,398 2.579,399 1.639,400 2.224,402 4.558,403 1.514,404 2.96,405 1.696,406 4.39,407 2.499,408 1.534,409 2.086,411 4.247,412 1.477,413 2.837,414 1.535,415 4.258,416 2.451,417 1.473,418 1.923,420 3.918,421 1.425,422 2.552,423 1.513,424 3.747,425 2.089,426 1.127,427 1.574,428 2.67,429 1.071,430 2.5,431 1.23,432 3.439,433 2,434 1.034,435 1.5,436 2.373,437 1,438 2.434,439 1.045,440 3.414,441 1.975,442 1,443 1.353,445 2.275,446 0.969,447 2.122,448 1,449 3.379,450 1.725,451 0.724,452 0.96,454 1.828,455 0.713,456 1.903,457 0.51,458 3.045,459 1.373,460 0.421,461 0.62,463 1.035,464 0.4,465 14.724,466 0.46,467 0.963,468 0.03,469 43.25,470 1.352,471 22,472 0.688,473 21.25,474 0.664,475 24.897,476 0.778,477 33.876,478 0.678,479 36.442,480 1.139,481 8.851,482 0.277,483 6.53,484 0.204,485 0.081,486 0.034,487 0.333,490 3,493 0.598,494 0.952,495 0.605,496 0.979,497 0.559,498 0.85,499 0.554,500 0.691,501 0.739,502 0.858,503 0.393,504 0.864,505 0.673,506 0.879,507 0.85,508 1.089,509 0.521,510 1.061,511 1.1,512 0.928,513 1.21,514 1.069,515 1.075,516 1.153,517 0.815,518 0.775,519 1.03,520 0.97,521 0.893,522 1.053,523 0.465,524 0.724,525 0.763,526 1.04,527 0.409,528 1.034,529 0.54,530 0.592,531 0.823,532 0.869,533 0.402,534 0.94,535 0.732,536 0.894,537 0.933,538 1.108,539 0.657,540 1.116,541 7.5,542 0.218,543 4.667,544 2.194,545 1.614,546 1.146,547 0.734,548 0.509,549 0.387,550 0.295,551 15158,552 51597,553 2.127,554 36,556 16,558 1,559 1,564 1.744,565 1.99,566 3.605,567 -0.341,573 85.585,574 1.712,575 3.678,576 4.524,577 5.149,578 5.269,579 5.269,580 3.043,581 4.64,582 4.97,583 3.792,584 1880.7,585 8.688,586 27340.1,588 1,591 282.193,592 1.54,593 4.926,594 0.208,595 0.007,596 0.088,597 0.039,598 0.034,599 0.027,600 0.018,601 0.012,602 0.01,603 0.009,604 0.454,605 0.5,606 0.88,607 0.688,608 168.358,609 -0.038,610 -0.074,611 0.033,612 -0.027,613 -0.076,614 0.017,615 0.294,616 0.301,617 0.052,618 0.091,619 0.366,620 0.01,621 -0.02,622 -0.109,623 -0.026,624 -0.131,625 0.037,626 -0.098,627 -0.185,628 -0.068,629 -0.249,630 -0.095,631 -0.135,632 -0.167,633 -0.039,634 0.012,635 -0.047,636 0.017,637 -0.075,638 -0.004,639 0.059,640 -0.092,641 0.17,642 -0.065,643 0.055,644 0.047,645 0.271,646 0.146,647 0.152,648 0.083,649 0.305,650 0.068,651 -0.001,652 -0.122,653 -0.009,654 -0.139,655 -0.018,656 -0.104,657 5.688,658 5.972,659 0.813,660 34.129,661 1.029,662 1.133,663 3.957,664 15.658,665 0.692,666 3.611,667 3.989,668 4.263,669 4.5,670 4.736,671 4.92,672 5.088,673 5.187,674 5.303,675 5.493,676 7.398,677 0.688,678 437.45,679 3.611,680 5.187,681 6.052,682 6.946,683 7.823,684 8.716,685 9.597,686 10.49,687 11.373,688 12.266,689 6,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,719 1,729 1,731 50,733 23,734 3,735 36,737 54,738 24,739 19,740 8,741 10,742 1,746 5,747 7,752 1,757 1,761 20,762 4,766 1,771 1,775 1,778 1,779 3,781 18,782 7,783 1,784 8,787 1,790 3,794 0.6,795 2,811 1,812 3,813 1,815 1,817 1,840 3,846 3,848 32,854 3,856 1,859 1,860 1,869 3,870 4,873 1,875 1,877 16.083,878 9.079,879 6.722,880 2.918,881 4.11,882 1.488,883 1.045,884 5.146,885 12.534,886 3.892,887 4.535,888 5.15,889 5.721,890 6.259,891 6.624,892 7.077,893 7.43,894 7.741,895 8.198,896 1,897 56,898 12.309,900 5.865,901 8.148,902 21.984,904 18.552,905 2.648,906 84.75,909 1,910 200.109,911 150.109,912 36.695,914 36.145,915 44.88,917 150.109,918 236.254,919 81.576,921 11.928,922 94.762,923 67.025,924 95.981,925 2.144,926 188.338,927 7.76,928 200.109,929 186.804,930 81.025,933 200.109,934 81.025,937 47.236,938 122.783,939 16.786,941 244.989,942 72.84,943 150.109,946 207.868,947 38.968,948 106.505,949 16.786,950 97.811,951 200.109,952 117.721,953 150.109,955 0.601,956 0.348,957 0.175,958 0.091,959 28,960 12,961 0.037,962 2,963 2,964 1.154,965 4.297,966 304.895,967 0.154,968 26,969 151.245,974 20.595,975 7.995,976 4.119,977 1.799,978 100.935,979 17.677,980 4.294,981 3.064,984 2.9,986 16.786,987 467.938,988 48,993 12.972,997 -0.335,999 51.451,1000 56.67,1001 0.303,1002 0.652,1003 0.802,1004 0.912,1005 0.934,1006 0.934,1007 5.156,1008 1.639,1009 6.08,1010 4.78,1011 4.673,1012 5.223,1013 3.248,1014 6.936,1015 4.576,1016 6.392,1017 1.534,1018 7.677,1019 4.558,1020 4.443,1021 5.103,1022 3.911,1023 8.059,1024 4.224,1025 7.724,1026 1.473,1027 9.381,1028 4.247,1029 6.361,1030 7.464,1031 5.443,1032 11.075,1033 6.16,1034 9.091,1035 1.127,1036 11.148,1037 3.918,1038 6.929,1039 8.146,1040 6.691,1041 12.978,1042 6.602,1043 10.489,1044 1.034,1045 12.955,1046 2.67,1047 8.355,1048 9.994,1049 8.06,1050 15.559,1051 8.025,1052 11.906,1053 1,1054 14.788,1055 2.373,1056 9.257,1057 11.047,1058 9.389,1059 17.758,1060 8.812,1061 13.339,1062 0.724,1063 16.641,1064 2.275,1065 10.505,1066 12.676,1067 10.734,1068 20.211,1069 10.031,1070 3.316,1071 0.421,1072 18.507,1073 1.828,1074 11.55,1075 13.916,1076 12.074,1077 22.532,1078 10.973,1079 3.073,1080 11.659,1081 20.385,1082 1.035,1083 12.735,1084 15.445,1085 13.417,1086 24.952,1087 12.107,1088 2.969,1089 9.927,1090 22.271,1091 4.392,1092 13.842,1093 16.783,1094 14.758,1095 27.33,1096 13.12,1097 2.814,1098 9.609,1099 24.165,1100 3.966,1101 15.007,1102 18.267,1103 16.1,1104 29.747,1105 14.22,1106 2.516,1107 9.074,1108 26.066,1109 3.895,1110 16.143,1111 19.658,1112 17.441,1113 32.153,1114 15.267,1115 2.156,1116 8.263,1117 27.972,1118 3.469,1119 17.304,1120 21.123,1121 18.783,1122 34.577,1123 16.353,1124 1.668,1125 6.379,1126 29.884,1127 3.303,1128 18.457,1129 22.543,1130 20.124,1131 37,1132 17.416,1133 14046,1134 26138,1135 24.156,1136 34.591,1137 56.052,1138 55.651,1139 55.615,1140 55.175,1141 54.928,1142 72.347,1143 12.874,1144 165.19,1145 52.157,1146 5.398,1147 6.46,1148 6.639,1149 5.251,1150 5.316,1151 7.392,1152 5.335,1153 18.641,1154 5.02,1155 15.285,1156 1.557,1157 1.546,1158 1.545,1159 1.533,1160 1.526,1161 2.01,1162 0.358,1163 4.589,1164 1.449,1165 4.124,1166 4.16,1167 4.085,1168 4.033,1169 8.513,1170 4.041,1171 3.978,1172 4.008,1173 3.937,1174 3.883,1175 7.999,1176 3.889,1177 3.896,1178 3.921,1179 3.85,1180 3.803,1181 7.999,1182 3.811,1183 3.596,1184 3.647,1185 3.541,1186 3.405,1187 7.428,1188 3.424,1189 3.378,1190 3.413,1191 3.35,1192 3.175,1193 5.088,1194 3.202,1195 3.294,1196 3.355,1197 3.206,1198 3.089,1199 4.831,1200 3.112,1201 3.157,1202 3.217,1203 3.042,1204 2.946,1205 4.658,1206 2.947,1207 2.941,1208 2.99,1209 2.847,1210 2.801,1211 4.409,1212 2.799,1213 0.124,1214 0.124,1215 0.198,1216 0.116,1217 0.092,1218 4.478,1219 0.122,1220 4.46,1221 0.106,1222 7.111,1223 0.324,1224 4.179,1225 0.084,1226 3.316,1227 4.392,1228 3.825,1229 11.659,1230 3.02,1231 2.005,1232 1.986,1233 2.082,1234 2.076,1235 1.25,1236 2.079,1237 1.921,1238 1.9,1239 2.011,1240 2.021,1241 1.141,1242 2.016,1243 1.79,1244 1.766,1245 1.889,1246 1.897,1247 1.062,1248 1.895,1249 1.56,1250 1.502,1251 1.781,1252 1.803,1253 1.014,1254 1.795,1255 1.367,1256 1.288,1257 1.53,1258 1.655,1259 0.64,1260 1.625,1261 1.209,1262 1.175,1263 1.422,1264 1.477,1265 0.448,1266 1.426,1267 1.107,1268 1.068,1269 1.211,1270 1.35,1271 0.306,1272 1.32,1273 0.948,1274 0.899,1275 1.181,1276 1.114,1277 0.218,1278 1.124,1279 4.29,1281 5.652,1282 2.398,1283 7.195,1284 4.727,1285 8.815,1286 6.804,1287 10.473,1291 38.467,1295 0.939,1297 5.817,1300 1.592,1301 -4.438,1305 34.385,1306 85.585,1307 183.9,1308 226.219,1309 257.438,1310 263.438,1311 263.438,1312 64.015,1313 8.423,1314 58.22,1315 58.22,1316 30,1317 12.794,1318 4.585,1319 3.7,1320 45.808,1321 142,1322 130,1323 0.156,1324 203.788,1325 358.11,1326 489.003,1327 60154,1328 6,1329 22.294,1330 0.697,1331 0.526,1332 19.794,1333 16.817,1334 15.381,1335 0.427,1336 0.279,1337 9.855,1338 14.659,1339 9.728,1340 7.943,1341 14.17,1342 10.041,1343 14.881,1344 0.281,1345 0.144,1346 12.923,1347 7.607,1348 12.416,1349 0.177,1350 0.079,1351 11.48,1352 5.542,1353 10.149,1354 0.114,1355 0.043,1356 9.45,1357 3.843,1358 8.06,1359 0.071,1360 0.023,1361 7.775,1362 2.64,1363 0.247,1364 97.506,1365 0.203,1366 29.964,1367 0.422,1368 178,1369 703.427,1370 206.686,1371 597.278,1372 791.82,1373 556,1374 212,1375 563.344,1376 235.2,1377 551.749,1378 831.39,1379 519,1380 5.962}
{0 CHEMBL2332920,1 1.73,2 12.406,3 2.492,4 6.209,5 120.928,6 8.626,7 0.611,8 4.087,9 4.177,10 3.908,11 3.691,12 5.218,13 3.672,14 4.616,15 4.739,16 4.206,17 4.09,18 5.99,19 4.065,20 4.878,21 5.029,22 4.276,23 4.258,24 6.072,25 4.209,26 4.967,27 5.144,28 4.128,29 4.224,30 6.161,31 4.151,32 4.898,33 5.11,34 4.007,35 4.135,36 6.008,37 4.044,38 4.78,39 4.999,40 4.008,41 4.051,42 5.777,43 3.967,44 4.744,45 4.935,46 4.05,47 3.991,48 6.082,49 3.931,50 4.655,51 4.834,52 3.932,53 3.954,54 5.763,55 3.869,56 0.138,57 0.796,58 10.863,59 4.846,60 23.32,61 5.068,62 0.488,63 1.274,64 18.665,65 8.149,66 70.996,67 8.965,68 0.469,69 1.567,70 25.722,71 11.173,72 54.32,73 12.499,74 0.632,75 1.647,76 30.191,77 12.045,78 86.4,79 13.531,80 0.606,81 1.516,82 28.849,83 11.58,84 85.293,85 14.49,86 0.356,87 1.385,88 26.745,89 10.641,90 48.649,91 13.844,92 0.725,93 1.32,94 24.4,95 9.506,96 103.6,97 11.546,98 0.459,99 1.251,100 25.431,101 9.6,102 54.751,103 10.609,104 18,105 53,106 0.282,107 0.622,108 0.757,109 0.855,110 0.874,111 0.874,112 3.502,113 0.962,114 -3.06,115 -3.06,116 -2.94,119 44.2,125 3,142 10,143 4,144 2,146 1,152 1,158 1,160 1,163 1,164 1,165 1,172 12,174 2,175 6,177 2,178 3,180 1,183 14,186 1,187 13,192 4,195 12,197 2,199 14,204 3,207 7,209 2,211 1,212 9,217 2,220 5,222 1,224 10,229 2,232 6,236 4,237 6,239 2,240 2,242 2,245 8,249 2,250 2,258 10,263 3,266 2,268 1,271 9,273 1,275 1750,276 21.436,277 21.436,278 21.436,279 21.436,280 21.436,281 18.546,282 15.314,283 12.245,284 21.935,285 17.766,286 17.766,287 17.766,288 17.766,289 17.766,290 13.24,291 17.011,292 5.793,293 18.552,294 3.971,295 1.89,296 1.062,297 0.462,298 0.346,299 0.346,300 4.21,304 1,305 1,306 880,307 3.674,310 76.587,311 261.493,312 93.457,314 130.008,316 148.693,318 2.057,319 40.967,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 70,331 397,332 4.802,333 4.661,334 7.111,335 4.233,336 3.316,337 4.661,338 1.23,339 11.659,340 3.032,341 4.477,342 3.705,343 6.432,344 4.051,345 3.073,346 4.392,347 0.86,348 9.927,349 3,350 4.312,351 3.194,352 6.319,353 3.944,354 2.969,355 3.964,356 0.521,357 9.609,358 2.886,359 4.191,360 2.969,361 6.151,362 3.791,363 2.814,364 3.694,366 9.074,367 2.741,368 3.863,369 2.602,370 5.912,371 3.49,372 2.516,373 3.31,375 8.263,376 2.444,377 3.506,378 2.353,379 5.237,380 3.119,381 2.156,382 2.804,384 6.379,385 2.072,386 3.054,387 2.14,388 4.624,389 2.634,390 1.668,391 2.302,393 4.78,394 1.622,395 3.034,396 2.058,397 4.515,398 2.6,399 1.639,400 2.244,402 4.558,403 1.546,404 2.993,405 1.542,406 4.39,407 2.499,408 1.534,409 2.167,411 4.247,412 1.479,413 2.868,414 1.535,415 4.258,416 2.456,417 1.473,418 1.98,420 3.918,421 1.445,422 2.553,423 1.513,424 3.747,425 2.096,426 1.127,427 1.575,428 2.67,429 1.081,430 2.5,431 1.23,432 3.439,433 2,434 1.034,435 1.5,436 2.373,437 1,438 2.447,439 1.045,440 3.414,441 1.976,442 1,443 1.363,445 2.275,446 0.97,447 2.124,448 1,449 3.379,450 1.727,451 0.724,452 0.964,454 1.828,455 0.716,456 1.903,457 0.457,458 3.045,459 1.373,460 0.421,461 0.62,463 1.035,464 0.4,465 15.267,466 0.477,467 0.963,468 0.03,469 46,470 1.438,471 25,472 0.781,473 21,474 0.656,475 24.209,476 0.757,477 33.333,478 0.641,479 37.13,480 1.16,481 9.007,482 0.281,483 6.374,484 0.199,485 0.092,486 0.055,487 0.321,493 0.648,494 1.21,495 0.767,496 1.114,497 0.688,498 0.84,499 0.754,500 0.952,501 0.899,502 0.925,503 0.492,504 0.87,505 1.011,506 1.075,507 0.97,508 1.041,509 0.844,510 1.04,511 1.251,512 1.055,513 1.106,514 1.048,515 1.208,516 1.157,517 0.846,518 0.915,519 0.808,520 0.874,521 0.963,522 1.022,523 0.565,524 1.023,525 0.665,526 0.978,527 0.497,528 0.978,529 0.788,530 0.868,531 0.766,532 0.829,533 0.512,534 0.922,535 1.025,536 1.02,537 1.262,538 1.177,539 0.871,540 1.101,541 7.5,542 0.218,543 4.667,544 2.194,545 1.614,546 1.146,547 0.734,548 0.509,549 0.387,550 0.295,551 15158,552 47367,553 2.127,554 38.5,556 16,558 1,559 3,564 1.744,565 1.99,566 3.605,567 0.884,569 1,573 89.942,574 1.73,575 3.81,576 4.639,577 5.239,578 5.354,579 5.354,580 3.043,581 4.64,582 4.97,583 3.792,584 1880.7,585 8.688,586 27340.1,588 1,591 296.423,592 1.54,593 4.926,594 0.208,595 0.007,596 0.088,597 0.039,598 0.034,599 0.027,600 0.018,601 0.012,602 0.01,603 0.009,604 0.454,605 0.5,606 0.88,607 0.688,608 168.358,609 0.012,610 -0.076,611 0.179,612 -0.047,613 -0.153,614 0.051,615 0.134,616 0.125,617 -0.043,618 0.032,619 0.248,620 0.018,621 -0.102,622 -0.089,623 -0.111,624 -0.089,625 -0.035,626 -0.095,627 -0.227,628 -0.109,629 -0.241,630 -0.128,631 -0.158,632 -0.196,633 -0.001,634 -0.014,635 0.015,636 0.02,637 -0.064,639 0.096,640 -0.113,641 0.204,642 -0.04,643 0.052,644 0.078,645 0.233,646 0.084,647 0.11,648 0.079,649 0.315,650 0.052,651 -0.082,652 -0.025,653 -0.175,654 -0.112,655 -0.063,656 -0.105,657 4.725,658 6.073,659 0.813,660 34.129,661 1.017,662 1.117,663 1.827,664 3.338,665 0.703,666 3.611,667 3.989,668 4.263,669 4.5,670 4.736,671 4.92,672 5.088,673 5.187,674 5.303,675 5.493,676 7.398,677 0.68,678 448.54,679 3.611,680 5.187,681 6.052,682 6.946,683 7.823,684 8.716,685 9.597,686 10.49,687 11.373,688 12.266,689 7.7,693 1,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,719 1,729 1,731 52,733 25,734 3,735 36,737 56,738 23,739 19,740 8,741 10,742 1,746 5,747 7,761 20,762 3,766 3,769 1,771 3,775 1,778 1,781 20,782 7,783 3,784 9,785 1,787 1,790 4,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,848 32,849 1,852 1,854 3,856 1,859 1,870 7.7,873 3,875 1,877 16.083,878 9.233,879 6.722,880 2.901,881 4.266,882 1.506,883 1.05,884 5.216,885 12.69,886 3.932,887 4.608,888 5.184,889 5.75,890 6.285,891 6.668,892 7.136,893 7.446,894 7.753,895 8.213,896 1,897 56,898 12.089,900 5.582,901 7.951,902 22.329,904 19.031,905 2.451,906 78.417,909 1,910 200.109,911 146.522,912 67.987,914 80.458,916 5.807,917 140.714,918 280.567,919 67.987,921 11.928,922 131.861,923 111.338,924 49.466,925 2.144,926 188.338,928 200.109,929 208.701,930 80.458,931 5.807,933 200.109,934 80.458,937 39.476,938 152.439,939 22.593,941 200.109,942 148.445,943 146.522,945 5.807,946 200.109,947 37.333,948 106.505,949 16.786,950 128.535,951 200.109,952 148.445,953 146.522,955 0.601,956 0.348,957 0.175,958 0.091,959 28,960 12,961 0.054,962 3,963 2,964 1.154,965 4.297,966 304.895,967 0.154,968 26,969 154,973 1,974 20.706,975 8.061,976 4.159,977 1.852,978 131.659,979 19.274,980 4.319,981 3.086,984 4.029,986 48.077,987 495.075,988 50,991 -3.809,993 36.002,997 -0.203,999 52.862,1000 58.072,1001 0.303,1002 0.668,1003 0.814,1004 0.919,1005 0.939,1006 0.939,1007 5.19,1008 1.639,1009 6.08,1010 4.78,1011 4.673,1012 5.296,1013 1.775,1014 6.936,1015 4.595,1016 6.445,1017 1.534,1018 7.677,1019 4.558,1020 4.443,1021 5.359,1022 0.325,1023 8.059,1024 4.307,1025 7.8,1026 1.473,1027 9.381,1028 4.247,1029 6.361,1030 7.635,1031 1.812,1032 11.075,1033 6.195,1034 9.195,1035 1.127,1036 11.148,1037 3.918,1038 6.929,1039 8.51,1040 0.74,1041 12.978,1042 6.69,1043 10.624,1044 1.034,1045 12.955,1046 2.67,1047 8.355,1048 10.301,1049 1.972,1050 15.559,1051 8.087,1052 12.075,1053 1,1054 14.788,1055 2.373,1056 9.257,1057 11.52,1058 1.168,1059 17.758,1060 8.91,1061 13.544,1062 0.724,1063 16.641,1064 2.275,1065 10.505,1066 13.134,1067 2.208,1068 20.211,1069 10.121,1070 3.316,1071 0.421,1072 18.507,1073 1.828,1074 11.55,1075 14.508,1076 1.605,1077 22.532,1078 11.088,1079 3.073,1080 11.659,1081 20.385,1082 1.035,1083 12.735,1084 16.054,1085 2.493,1086 24.952,1087 12.223,1088 2.969,1089 9.927,1090 22.271,1091 4.661,1092 13.842,1093 17.499,1094 2.049,1095 27.33,1096 13.254,1097 2.814,1098 9.609,1099 24.165,1100 4.392,1101 15.007,1102 19.021,1103 2.812,1104 29.747,1105 14.359,1106 2.516,1107 9.074,1108 26.066,1109 3.964,1110 16.143,1111 20.501,1112 2.494,1113 32.153,1114 15.42,1115 2.156,1116 8.263,1117 27.972,1118 3.694,1119 17.304,1120 22.016,1121 3.155,1122 34.577,1123 16.514,1124 1.668,1125 6.379,1126 29.884,1127 3.31,1128 18.457,1129 23.515,1130 2.938,1131 37,1132 17.589,1133 14046,1134 25004,1135 24.156,1136 36.58,1137 55.59,1138 56.79,1139 55.615,1140 54.976,1141 54.928,1142 75.08,1143 5.223,1144 165.19,1145 52.87,1146 5.722,1147 6.661,1148 6.639,1149 5.307,1150 5.316,1151 7.661,1152 2.335,1153 18.641,1154 5.032,1155 15.285,1156 1.544,1157 1.578,1158 1.545,1159 1.527,1160 1.526,1161 2.086,1162 0.145,1163 4.589,1164 1.469,1165 4.129,1166 4.162,1167 4.728,1168 4.067,1169 7.726,1170 4.045,1171 4.061,1172 4.051,1173 4.083,1174 4.018,1175 7.428,1176 3.967,1177 3.925,1178 3.948,1179 3.893,1180 3.815,1181 6.999,1182 3.822,1183 3.706,1184 3.706,1185 3.761,1186 3.606,1187 5.089,1188 3.55,1189 3.526,1190 3.563,1191 3.453,1192 3.362,1193 4.838,1194 3.358,1195 3.313,1196 3.37,1197 3.235,1198 3.155,1199 4.821,1200 3.164,1201 3.192,1202 3.243,1203 3.068,1204 2.981,1205 4.633,1206 2.982,1207 2.968,1208 3.005,1209 2.863,1210 2.813,1211 4.409,1212 2.817,1213 0.133,1214 0.129,1215 0.198,1216 0.118,1217 0.092,1218 4.802,1219 0.129,1220 4.661,1221 0.034,1222 7.111,1223 0.324,1224 4.233,1225 0.084,1226 3.316,1227 4.661,1228 1.23,1229 11.659,1230 3.032,1231 2.005,1232 1.988,1233 2.081,1234 2.076,1235 1.25,1236 2.082,1237 1.965,1238 1.969,1239 1.996,1240 2.036,1241 1.17,1242 2.062,1243 1.792,1244 1.768,1245 1.888,1246 1.9,1247 1.081,1248 1.9,1249 1.593,1250 1.58,1251 1.779,1252 1.819,1253 1.016,1254 1.821,1255 1.43,1256 1.419,1257 1.53,1258 1.656,1259 0.647,1260 1.658,1261 1.366,1262 1.288,1263 1.421,1264 1.623,1265 0.526,1266 1.624,1267 1.166,1268 1.118,1269 1.275,1270 1.379,1271 0.447,1272 1.389,1273 0.948,1274 0.899,1275 1.181,1276 1.128,1277 0.218,1278 1.128,1279 4.29,1281 5.652,1282 2.398,1283 7.195,1284 4.727,1285 8.815,1286 6.804,1287 10.473,1293 5.141,1295 1.162,1297 5.87,1300 1.693,1305 35.346,1306 89.942,1307 198.13,1308 241.204,1309 272.423,1310 278.423,1311 278.423,1312 60.091,1313 8.423,1314 118.38,1315 126.76,1316 30,1317 12.794,1318 4.7,1319 3.907,1320 45.808,1321 142,1322 130,1323 0.156,1324 216.519,1325 369.69,1326 520.066,1327 60154,1329 22.294,1330 0.697,1331 0.556,1332 22.544,1333 17.802,1334 15.381,1335 0.427,1336 0.321,1337 9.987,1338 14.05,1339 9.673,1340 7.947,1341 16.275,1342 11.544,1343 14.881,1344 0.281,1345 0.173,1346 16.268,1347 9.163,1348 12.416,1349 0.177,1350 0.092,1351 13.173,1352 6.441,1353 10.149,1354 0.114,1355 0.049,1356 10.666,1357 4.344,1358 8.06,1359 0.071,1360 0.026,1361 8.417,1362 2.96,1363 0.247,1364 105.449,1365 0.203,1366 29.964,1367 0.422,1368 178,1369 550.738,1370 228.21,1371 552.627,1372 749.82,1373 510,1374 212,1375 526.672,1376 268.667,1377 569.342,1378 829.87,1379 533,1380 6.117}
{0 CHEMBL2332921,1 1.706,2 13.061,3 2.769,4 7.668,5 124.64,6 8.41,7 0.595,8 4.135,9 4.228,10 3.934,11 3.729,12 5.241,13 3.705,14 4.675,15 4.812,16 4.248,17 4.129,18 5.962,19 4.097,20 4.922,21 5.073,22 4.331,23 4.307,24 6.107,25 4.252,26 5.037,27 5.212,28 4.172,29 4.273,30 6.246,31 4.204,32 4.941,33 5.148,34 4.051,35 4.197,36 6.038,37 4.103,38 4.87,39 5.097,40 4.037,41 4.123,42 5.834,43 4.024,44 4.813,45 5.018,46 4.07,47 4.038,48 6.081,49 3.969,50 4.683,51 4.859,52 3.981,53 3.988,54 5.792,55 3.907,56 0.123,57 0.838,58 11.929,59 5.194,60 18.256,61 5.68,62 0.511,63 1.357,64 20.613,65 8.571,66 57.374,67 9.778,68 0.423,69 1.656,70 30.804,71 12.406,72 49.054,73 13.887,74 0.722,75 1.733,76 33.564,77 12.763,78 106.498,79 14.262,80 0.561,81 1.588,82 29.712,83 12.095,84 77.043,85 15.302,86 0.348,87 1.504,88 29.897,89 11.758,90 47.911,91 15.607,92 0.733,93 1.4,94 27.569,95 10.363,96 99.508,97 13.033,98 0.406,99 1.288,100 26.03,101 9.866,102 47.146,103 11.159,104 19,105 54,106 0.276,107 0.615,108 0.764,109 0.855,110 0.873,111 0.873,112 3.532,113 0.969,114 -3.27,115 -3.26,116 -3.12,119 43.6,124 1,125 3,142 10,143 4,144 2,146 1,152 1,158 1,160 1,172 12,174 2,175 6,178 3,180 1,183 14,186 1,187 13,192 4,195 12,199 14,204 3,207 7,211 1,212 9,217 2,220 5,224 10,229 2,232 6,236 4,237 6,240 2,242 2,245 8,249 2,250 2,258 10,263 3,266 2,268 1,271 9,275 1886,276 22.358,277 22.358,278 22.358,279 22.358,280 22.358,281 19.507,282 15.279,283 12.698,284 22.853,285 18.142,286 18.142,287 18.142,288 18.142,289 18.142,290 13.595,291 16.969,292 5.892,293 18.944,294 4.075,295 1.974,296 1.054,297 0.486,298 0.377,299 0.377,300 4.239,304 1,305 1,306 953,307 3.808,310 80.205,311 274.259,312 98.054,314 136.258,316 156.297,318 2.13,319 40.915,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 72,331 431,332 4.842,333 4.682,334 7.286,335 4.288,336 3.37,337 4.696,338 1.23,339 12.335,340 3.071,341 4.477,342 3.705,343 6.432,344 4.052,345 3.073,346 4.392,347 0.86,348 9.929,349 3.01,350 4.312,351 3.194,352 6.32,353 3.946,354 2.97,355 3.964,356 0.521,357 9.61,358 2.897,359 4.193,360 2.969,361 6.152,362 3.792,363 2.815,364 3.697,366 9.075,367 2.743,368 3.863,369 2.602,370 5.912,371 3.49,372 2.516,373 3.31,375 8.263,376 2.445,377 3.515,378 2.355,379 5.25,380 3.13,381 2.167,382 2.815,384 6.403,385 2.084,386 3.062,387 2.152,388 4.825,389 2.665,390 1.68,391 2.302,393 4.948,394 1.648,395 3.034,396 2.063,397 4.518,398 2.601,399 1.666,400 2.248,402 4.566,403 1.547,404 2.994,405 1.655,406 4.392,407 2.499,408 1.534,409 2.173,411 4.25,412 1.479,413 2.87,414 1.535,415 4.259,416 2.458,417 1.475,418 1.983,420 3.919,421 1.447,422 2.553,423 1.513,424 3.77,425 2.103,426 1.133,427 1.575,428 2.678,429 1.087,430 2.5,431 1.23,432 3.44,433 2,434 1.035,435 1.5,436 2.373,437 1,438 2.449,439 1.045,440 3.414,441 1.976,442 1,443 1.365,445 2.275,446 0.97,447 2.124,448 1,449 3.387,450 1.733,451 0.734,452 0.968,454 1.837,455 0.723,456 1.903,457 0.781,458 3.114,459 1.373,460 0.422,461 0.62,463 1.035,464 0.4,465 15.767,466 0.478,467 0.902,468 0.027,469 46.75,470 1.417,471 25,472 0.758,473 21.75,474 0.659,475 25.374,476 0.769,477 34.633,478 0.63,479 38.595,480 1.17,481 9.234,482 0.28,483 6.708,484 0.203,485 0.095,486 0.053,487 0.311,493 0.63,494 1.299,495 0.768,496 1.161,497 0.622,498 0.888,499 0.796,500 0.903,501 0.857,502 0.842,503 0.573,504 0.826,505 0.992,506 1.125,507 1.128,508 1.181,509 0.816,510 1.035,511 1.494,512 1.015,513 1.154,514 1.001,515 1.582,516 1.122,517 0.848,518 0.959,519 0.835,520 0.919,521 0.977,522 1.062,523 0.542,524 1.03,525 0.679,526 0.99,527 0.497,528 0.997,529 0.759,530 0.841,531 0.734,532 0.799,533 0.533,534 0.879,535 1.012,536 1.096,537 1.23,538 1.218,539 0.866,540 1.107,541 7.5,542 0.218,543 5.111,544 2.194,545 1.614,546 1.174,547 0.774,548 0.54,549 0.387,550 0.295,551 16483,552 49492,553 2.123,554 40,556 19,558 1,559 2,564 1.751,565 1.99,566 3.667,567 0.222,569 1,573 93.828,574 1.706,575 3.808,576 4.727,577 5.295,578 5.404,579 5.404,580 3.121,581 4.476,582 5.014,583 3.842,584 2028.81,585 8.775,586 30282.3,591 317.975,592 1.521,593 4.972,594 0.203,595 0.007,596 0.095,597 0.037,598 0.033,599 0.027,600 0.018,601 0.013,602 0.01,603 0.008,604 0.45,605 0.33,606 0.75,607 0.828,608 175.643,609 0.034,610 -0.155,611 0.188,612 -0.082,613 -0.118,614 0.024,615 0.122,616 0.196,617 0.024,618 0.115,619 0.168,620 0.072,621 -0.073,622 -0.108,623 -0.126,624 -0.132,625 0.021,626 -0.07,627 -0.303,628 -0.067,629 -0.278,630 -0.083,631 -0.241,632 -0.181,633 -0.01,634 -0.042,635 -0.033,636 -0.026,637 -0.069,638 -0.059,639 0.1,640 -0.12,641 0.186,642 -0.051,643 0.045,644 0.056,645 0.25,646 0.105,647 0.155,648 0.113,649 0.298,650 0.105,651 -0.057,652 -0.088,653 -0.152,654 -0.152,655 -0.034,656 -0.123,657 4.471,658 6.158,659 0.788,660 36.678,661 1.014,662 1.118,663 2.038,664 4.154,665 0.697,666 3.638,667 4.007,668 4.304,669 4.522,670 4.754,671 4.934,672 5.112,673 5.22,674 5.323,675 5.509,676 7.632,677 0.67,678 462.57,679 3.638,680 5.209,681 6.08,682 6.971,683 7.852,684 8.744,685 9.628,686 10.52,687 11.406,688 12.298,689 7.3,691 1,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,719 1,729 1,731 55,733 25,734 3,735 37,737 59,738 24,739 19,740 8,741 10,742 1,746 5,747 7,761 20,762 4,766 3,769 1,771 3,775 1,778 1,781 22,782 7,783 2,784 9,785 1,787 1,790 4,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 1,848 33,852 1,854 3,855 1,856 1,859 1,870 7.3,873 3,875 1,877 16.583,878 10.15,879 7.097,880 3.137,881 4.269,882 1.503,883 1.037,884 5.666,885 12.759,886 3.951,887 4.618,888 5.212,889 5.759,890 6.293,891 6.676,892 7.149,893 7.466,894 7.759,895 8.217,896 0.889,897 59,898 12.442,900 5.665,901 7.891,902 23.168,904 19.616,905 2.391,906 78.917,909 1,910 235.422,911 154.918,912 53.1,914 80.458,916 5.807,917 149.111,918 315.88,919 53.1,920 8.396,921 11.928,922 116.975,923 111.338,924 49.466,925 2.144,926 223.651,928 235.422,929 202.211,930 80.458,931 5.807,933 235.422,934 80.458,937 55.881,938 129.544,939 22.593,941 235.422,942 133.558,943 154.918,945 5.807,946 235.422,947 37.333,948 114.902,949 33.191,950 97.243,951 235.422,952 133.558,953 154.918,955 0.596,956 0.359,957 0.177,958 0.09,959 28,960 12,961 0.068,962 4,963 2,964 1.154,965 4.373,966 316.843,967 0.154,968 26,969 160.465,973 1,974 21.653,975 8.635,976 4.252,977 1.862,978 116.773,979 19.64,980 4.328,981 3.093,984 4.248,986 33.191,987 523.898,988 51,991 -3.554,993 37.046,997 -0.178,999 55.745,1000 61.488,1001 0.295,1002 0.659,1003 0.818,1004 0.916,1005 0.935,1006 0.935,1007 5.207,1008 1.666,1009 6.103,1010 4.948,1011 4.691,1012 5.306,1013 1.775,1014 6.965,1015 4.613,1016 6.456,1017 1.534,1018 7.706,1019 4.566,1020 4.443,1021 5.359,1022 0.325,1023 8.131,1024 4.307,1025 7.811,1026 1.475,1027 9.417,1028 4.25,1029 6.385,1030 7.646,1031 1.812,1032 11.154,1033 6.218,1034 9.208,1035 1.133,1036 11.193,1037 3.919,1038 6.957,1039 8.526,1040 0.74,1041 13.123,1042 6.717,1043 10.64,1044 1.035,1045 13.011,1046 2.678,1047 8.392,1048 10.318,1049 1.972,1050 15.726,1051 8.119,1052 12.096,1053 1,1054 14.858,1055 2.373,1056 9.306,1057 11.546,1058 1.168,1059 17.999,1060 8.952,1061 13.57,1062 0.734,1063 16.726,1064 2.275,1065 10.562,1066 13.162,1067 2.208,1068 20.494,1069 10.166,1070 3.37,1071 0.422,1072 18.611,1073 1.837,1074 11.622,1075 14.544,1076 1.605,1077 22.89,1078 11.144,1079 3.073,1080 12.335,1081 20.508,1082 1.035,1083 12.816,1084 16.094,1085 2.493,1086 25.367,1087 12.284,1088 2.97,1089 9.929,1090 22.416,1091 4.696,1092 13.939,1093 17.547,1094 2.049,1095 27.817,1096 13.325,1097 2.815,1098 9.61,1099 24.334,1100 4.392,1101 15.117,1102 19.074,1103 2.812,1104 30.299,1105 14.437,1106 2.516,1107 9.075,1108 26.259,1109 3.964,1110 16.27,1111 20.562,1112 2.494,1113 32.776,1114 15.507,1115 2.167,1116 8.263,1117 28.191,1118 3.697,1119 17.446,1120 22.083,1121 3.155,1122 35.267,1123 16.609,1124 1.68,1125 6.403,1126 30.13,1127 3.31,1128 18.615,1129 23.589,1130 2.938,1131 37.759,1132 17.694,1133 15327,1134 26714,1135 24.849,1136 38.341,1137 56.352,1138 57.907,1139 57.622,1140 55.953,1141 55.936,1142 76.048,1143 5.223,1144 168.001,1145 53.802,1146 5.762,1147 6.682,1148 6.813,1149 5.363,1150 5.37,1151 7.696,1152 2.335,1153 19.449,1154 5.071,1155 15.59,1156 1.523,1157 1.565,1158 1.557,1159 1.512,1160 1.512,1161 2.055,1162 0.141,1163 4.541,1164 1.454,1165 4.131,1166 4.163,1167 4.734,1168 4.073,1169 7.717,1170 4.046,1171 4.067,1172 4.057,1173 4.083,1174 4.019,1175 7.428,1176 3.972,1177 3.926,1178 3.95,1179 3.893,1180 3.815,1181 6.999,1182 3.822,1183 3.72,1184 3.727,1185 3.762,1186 3.618,1187 5.088,1188 3.568,1189 3.536,1190 3.587,1191 3.454,1192 3.366,1193 4.831,1194 3.368,1195 3.315,1196 3.373,1197 3.236,1198 3.156,1199 4.656,1200 3.166,1201 3.208,1202 3.267,1203 3.07,1204 2.989,1205 4.409,1206 2.994,1207 3.104,1208 3.17,1209 2.914,1210 2.895,1211 4.148,1212 2.879,1213 0.131,1214 0.127,1215 0.197,1216 0.116,1217 0.091,1218 4.842,1219 0.127,1220 4.682,1221 0.033,1222 7.286,1223 0.333,1224 4.288,1225 0.083,1226 3.37,1227 4.696,1228 1.23,1229 12.335,1230 3.071,1231 2.005,1232 1.989,1233 2.081,1234 2.077,1235 1.251,1236 2.084,1237 1.968,1238 1.973,1239 1.997,1240 2.04,1241 1.186,1242 2.066,1243 1.792,1244 1.768,1245 1.888,1246 1.901,1247 1.087,1248 1.902,1249 1.607,1250 1.597,1251 1.78,1252 1.83,1253 1.016,1254 1.832,1255 1.478,1256 1.437,1257 1.655,1258 1.697,1259 0.756,1260 1.72,1261 1.367,1262 1.288,1263 1.53,1264 1.654,1265 0.638,1266 1.625,1267 1.179,1268 1.125,1269 1.419,1270 1.402,1271 0.451,1272 1.415,1273 1.084,1274 1.018,1275 1.181,1276 1.297,1277 0.433,1278 1.341,1279 4.317,1281 5.673,1282 2.398,1283 7.219,1284 4.727,1285 8.843,1286 6.804,1287 10.505,1289 1.351,1295 1.2,1296 2.271,1297 5.893,1300 1.716,1305 36.873,1306 93.828,1307 209.418,1308 260.001,1309 291.22,1310 297.22,1311 297.22,1312 63.956,1313 8.49,1314 104.39,1315 112.77,1316 30,1317 12.826,1318 4.7,1319 3.907,1320 47.956,1321 152,1322 152,1323 0.153,1324 226.111,1325 386.99,1326 543.472,1327 65566,1329 23.001,1330 0.697,1331 0.567,1332 23.251,1333 18.724,1334 15.942,1335 0.431,1336 0.323,1337 10.434,1338 14.492,1339 10.079,1340 8.309,1341 16.763,1342 11.949,1343 14.857,1344 0.275,1345 0.179,1346 16.232,1347 9.651,1348 13.208,1349 0.181,1350 0.099,1351 14.361,1352 7.193,1353 10.353,1354 0.114,1355 0.051,1356 10.972,1357 4.666,1358 8.216,1359 0.071,1360 0.027,1361 8.65,1362 3.148,1363 0.243,1364 108.361,1365 0.201,1366 30.778,1367 0.413,1368 182,1369 559.759,1370 235.911,1371 558.285,1372 762.5,1373 518,1374 218,1375 535.603,1376 277.78,1377 578.113,1378 847.45,1379 543,1380 5.963}
{0 CHEMBL2332922,1 1.671,2 12.406,3 3.19,4 10.174,5 121.34,6 8.444,7 0.611,8 4.095,9 4.181,10 3.9,11 3.723,12 5.197,13 3.689,14 4.638,15 4.766,16 4.201,17 4.117,18 5.917,19 4.083,20 4.902,21 5.052,22 4.276,23 4.279,24 6.09,25 4.226,26 4.975,27 5.151,28 4.125,29 4.25,30 6.144,31 4.169,32 4.922,33 5.136,34 4.006,35 4.162,36 6.005,37 4.062,38 4.802,39 5.025,40 4.007,41 4.07,42 5.778,43 3.979,44 4.748,45 4.938,46 4.044,47 4.005,48 6.044,49 3.943,50 4.674,51 4.853,52 3.93,53 3.976,54 5.772,55 3.887,56 0.097,57 0.766,58 11.068,59 5.276,60 17.178,61 5.601,62 0.391,63 1.278,64 21.034,65 8.825,66 51.752,67 9.713,68 0.456,69 1.572,70 27.256,71 11.552,72 60.446,73 12.924,74 0.543,75 1.646,76 30.821,77 12.507,78 79.863,79 14.251,80 0.537,81 1.544,82 30.009,83 12.191,84 78.573,85 15.42,86 0.313,87 1.412,88 27.856,89 11.017,90 45.821,91 14.415,92 0.627,93 1.321,94 24.765,95 9.677,96 92.537,97 11.749,98 0.445,99 1.267,100 26.339,101 9.837,102 54.601,103 10.871,104 18,105 53,106 0.272,107 0.604,108 0.754,109 0.849,110 0.868,111 0.868,112 3.502,113 1.005,114 -4.02,115 -3.97,116 -3.76,119 45.3,124 1,125 3,142 10,143 4,144 2,146 1,152 1,158 1,160 1,172 12,174 2,175 6,178 1,180 1,183 14,186 1,187 13,192 2,195 12,199 14,204 1,207 7,211 1,212 9,217 1,220 5,224 10,229 2,232 6,236 4,237 6,242 2,245 8,249 2,250 2,258 10,263 3,266 2,271 9,275 1750,276 21.436,277 21.436,278 21.436,279 21.436,280 21.436,281 18.546,282 15.556,283 12.245,284 22.023,285 17.766,286 17.766,287 17.766,288 17.766,289 17.766,290 13.24,291 18.139,292 5.793,293 18.721,294 4.057,295 2.011,296 1.094,297 0.505,298 0.392,299 0.392,300 4.21,304 1,305 1,306 880,307 3.674,310 76.587,311 261.493,312 93.457,314 130.008,316 148.693,318 2.057,319 39.789,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 69.5,331 397,332 4.802,333 5.18,334 7.111,335 4.186,336 3.316,337 4.661,338 2.95,339 11.659,340 3.017,341 4.477,342 3.706,343 6.432,344 4.05,345 3.073,346 4.392,347 1.23,348 9.927,349 2.94,350 4.312,351 3.195,352 6.319,353 3.942,354 2.969,355 3.964,356 0.86,357 9.609,358 2.804,359 4.191,360 2.969,361 6.151,362 3.79,363 2.814,364 3.694,365 0.521,366 9.074,367 2.726,368 3.863,369 2.663,370 5.912,371 3.489,372 2.516,373 3.31,375 8.263,376 2.443,377 3.506,378 2.6,379 5.237,380 3.112,381 2.156,382 2.804,384 6.379,385 2.051,386 3.054,387 2.322,388 4.624,389 2.619,390 1.668,391 2.302,393 4.78,394 1.593,395 3.034,396 2.091,397 4.515,398 2.599,399 1.639,400 2.244,402 4.558,403 1.546,404 2.993,405 1.966,406 4.39,407 2.499,408 1.534,409 2.167,411 4.247,412 1.478,413 2.868,414 1.535,415 4.258,416 2.454,417 1.473,418 1.98,420 3.918,421 1.443,422 2.553,423 1.513,424 3.747,425 2.094,426 1.127,427 1.575,428 2.67,429 1.078,430 2.5,431 1.23,432 3.439,433 2,434 1.034,435 1.5,436 2.373,437 1,438 2.447,439 1.045,440 3.414,441 1.975,442 1,443 1.363,445 2.275,446 0.969,447 2.124,448 1,449 3.379,450 1.726,451 0.724,452 0.964,454 1.828,455 0.715,456 1.903,457 0.833,458 3.045,459 1.373,460 0.421,461 0.62,463 1.035,464 0.4,465 15.367,466 0.48,467 0.963,468 0.03,469 46,470 1.438,471 25,472 0.781,473 21,474 0.656,475 24.466,476 0.765,477 33.233,478 0.627,479 36.872,480 1.152,481 8.966,482 0.28,483 6.415,484 0.2,485 0.098,486 0.054,487 0.319,493 0.598,494 1.218,495 0.775,496 1.111,497 0.609,498 0.877,499 0.835,500 0.983,501 0.985,502 0.98,503 0.575,504 0.863,505 1.122,506 1.047,507 0.999,508 1.006,509 1.001,510 1.018,511 1.249,512 1.072,513 1.104,514 1.056,515 1.219,516 1.159,517 0.825,518 0.94,519 0.798,520 0.88,521 0.952,522 1.017,523 0.569,524 1.018,525 0.661,526 0.949,527 0.503,528 0.948,529 0.862,530 0.947,531 0.775,532 0.843,533 0.565,534 0.918,535 1.117,536 0.972,537 1.283,538 1.127,539 0.966,540 1.067,541 7.5,542 0.218,543 4.667,544 2.194,545 1.614,546 1.146,547 0.734,548 0.509,549 0.387,550 0.295,551 15158,552 45365,553 2.127,554 39.6,556 19,558 1,559 1,564 1.744,565 1.99,566 3.605,567 -0.341,569 1,573 88.547,574 1.671,575 3.717,576 4.634,577 5.223,578 5.336,579 5.336,580 3.043,581 4.64,582 4.97,583 3.792,584 1880.7,585 8.688,586 27340.1,588 1,591 303.58,592 1.54,593 4.926,594 0.208,595 0.007,596 0.088,597 0.039,598 0.034,599 0.027,600 0.018,601 0.012,602 0.01,603 0.009,604 0.454,605 0.5,606 0.88,607 0.688,608 168.358,609 0.04,610 -0.116,611 0.18,612 -0.045,613 -0.111,614 0.027,615 0.058,616 0.093,617 -0.052,618 0.012,619 0.16,620 0.042,621 -0.13,622 -0.055,623 -0.13,624 -0.064,625 -0.073,626 -0.088,627 -0.213,628 -0.119,629 -0.243,630 -0.139,631 -0.151,632 -0.206,633 0.015,634 -0.027,635 0.022,636 0.011,637 -0.052,638 -0.004,639 0.093,640 -0.089,641 0.206,642 -0.02,643 0.048,644 0.092,645 0.182,646 0.023,647 0.097,648 0.058,649 0.279,650 0.042,651 -0.109,652 0.044,653 -0.193,654 -0.077,655 -0.084,656 -0.091,657 4.225,658 6.104,659 0.813,660 34.129,661 1.012,662 1.113,663 2.787,664 7.765,665 0.704,666 3.611,667 3.989,668 4.263,669 4.5,670 4.736,671 4.92,672 5.088,673 5.187,674 5.303,675 5.493,676 7.398,677 0.676,678 447.55,679 3.611,680 5.187,681 6.052,682 6.946,683 7.823,684 8.716,685 9.597,686 10.49,687 11.373,688 12.266,689 5.7,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,719 1,729 1,731 53,733 25,734 3,735 36,737 57,738 24,739 19,740 8,741 10,742 1,746 5,747 7,761 20,762 4,766 3,769 1,771 3,775 1,778 1,781 21,782 6,783 1,784 8,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 1,848 32,851 1,854 3,856 1,859 1,870 7.5,873 3,875 1,877 16.083,878 9.9,879 6.722,880 3.013,881 4.266,882 1.506,883 1.04,884 5.24,885 12.69,886 3.932,887 4.608,888 5.184,889 5.75,890 6.285,891 6.668,892 7.136,893 7.446,894 7.753,895 8.213,896 1,897 56,898 12.042,900 5.488,901 7.888,902 22.536,904 19.247,905 2.388,906 76.417,909 1,910 235.422,911 153.951,912 36.695,914 80.458,916 6.046,917 147.905,918 315.88,919 36.695,920 7.19,921 11.928,922 100.808,923 111.338,924 49.466,925 2.144,926 223.651,928 235.422,929 184.6,930 80.458,931 6.046,933 235.422,934 80.458,937 39.476,938 128.338,939 22.831,941 235.422,942 117.153,943 153.951,945 6.046,946 235.422,947 37.333,948 113.696,949 16.786,950 97.243,951 235.422,952 117.153,953 153.951,955 0.601,956 0.348,957 0.175,958 0.091,959 28,960 12,961 0.053,962 3,963 2,964 1.154,965 4.297,966 304.895,967 0.154,968 26,969 154,973 1,974 20.743,975 8.084,976 4.173,977 1.869,978 100.368,979 19.762,980 4.327,981 3.093,984 4.369,986 16.786,987 506.526,988 50,991 -3.309,993 36.478,997 -0.162,999 53.643,1000 58.989,1001 0.292,1002 0.649,1003 0.809,1004 0.912,1005 0.932,1006 0.932,1007 5.19,1008 1.639,1009 6.08,1010 4.78,1011 4.673,1012 5.296,1013 3.149,1014 6.936,1015 4.578,1016 6.445,1017 1.534,1018 7.677,1019 4.558,1020 4.443,1021 5.359,1022 0.325,1023 8.059,1024 4.248,1025 7.8,1026 1.473,1027 9.381,1028 4.247,1029 6.361,1030 7.635,1031 5.06,1032 11.075,1033 6.155,1034 9.195,1035 1.127,1036 11.148,1037 3.918,1038 6.929,1039 8.51,1040 0.74,1041 12.978,1042 6.608,1043 10.624,1044 1.034,1045 12.955,1046 2.67,1047 8.355,1048 10.301,1049 7.189,1050 15.559,1051 8.016,1052 12.075,1053 1,1054 14.788,1055 2.373,1056 9.257,1057 11.52,1058 1.168,1059 17.758,1060 8.806,1061 13.544,1062 0.724,1063 16.641,1064 2.275,1065 10.505,1066 13.134,1067 9.348,1068 20.211,1069 10.017,1070 3.316,1071 0.421,1072 18.507,1073 1.828,1074 11.55,1075 14.508,1076 1.605,1077 22.532,1078 10.958,1079 3.073,1080 11.659,1081 20.385,1082 1.035,1083 12.735,1084 16.054,1085 11.511,1086 24.952,1087 12.088,1088 2.969,1089 9.927,1090 22.271,1091 4.661,1092 13.842,1093 17.499,1094 2.049,1095 27.33,1096 13.098,1097 2.814,1098 9.609,1099 24.165,1100 4.392,1101 15.007,1102 19.021,1103 13.675,1104 29.747,1105 14.195,1106 2.516,1107 9.074,1108 26.066,1109 3.964,1110 16.143,1111 20.501,1112 2.494,1113 32.153,1114 15.239,1115 2.156,1116 8.263,1117 27.972,1118 3.694,1119 17.304,1120 22.016,1121 15.838,1122 34.577,1123 16.322,1124 1.668,1125 6.379,1126 29.884,1127 3.31,1128 18.457,1129 23.515,1130 2.938,1131 37,1132 17.383,1133 14046,1134 24448,1135 24.156,1136 37.335,1137 55.59,1138 58.028,1139 55.615,1140 55.069,1141 54.928,1142 75.08,1143 11.123,1144 165.19,1145 52.408,1146 5.722,1147 7.18,1148 6.639,1149 5.26,1150 5.316,1151 7.661,1152 5.9,1153 18.641,1154 5.017,1155 15.285,1156 1.544,1157 1.612,1158 1.545,1159 1.53,1160 1.526,1161 2.086,1162 0.309,1163 4.589,1164 1.456,1165 4.131,1166 4.162,1167 4.735,1168 4.1,1169 7.716,1170 4.048,1171 4.071,1172 4.057,1173 4.083,1174 4.024,1175 7.428,1176 3.986,1177 3.926,1178 3.95,1179 3.893,1180 3.816,1181 6.999,1182 3.823,1183 3.72,1184 3.719,1185 3.761,1186 3.644,1187 5.088,1188 3.59,1189 3.533,1190 3.575,1191 3.454,1192 3.369,1193 4.831,1194 3.371,1195 3.314,1196 3.371,1197 3.235,1198 3.156,1199 4.655,1200 3.166,1201 3.195,1202 3.246,1203 3.068,1204 2.985,1205 4.409,1206 2.988,1207 2.977,1208 3.016,1209 2.864,1210 2.825,1211 4.148,1212 2.829,1213 0.133,1214 0.144,1215 0.198,1216 0.116,1217 0.092,1218 4.802,1219 0.129,1220 5.18,1221 0.082,1222 7.111,1223 0.324,1224 4.186,1225 0.084,1226 3.316,1227 4.661,1228 2.95,1229 11.659,1230 3.017,1231 2.006,1232 1.998,1233 2.081,1234 2.076,1235 1.253,1236 2.088,1237 1.98,1238 1.982,1239 2,1240 2.04,1241 1.219,1242 2.07,1243 1.793,1244 1.769,1245 1.888,1246 1.9,1247 1.095,1248 1.902,1249 1.627,1250 1.627,1251 1.781,1252 1.825,1253 1.017,1254 1.833,1255 1.49,1256 1.448,1257 1.585,1258 1.661,1259 0.834,1260 1.704,1261 1.367,1262 1.288,1263 1.53,1264 1.651,1265 0.636,1266 1.625,1267 1.171,1268 1.122,1269 1.418,1270 1.383,1271 0.448,1272 1.393,1273 0.948,1274 0.903,1275 1.181,1276 1.149,1277 0.236,1278 1.15,1279 4.29,1281 5.652,1282 2.398,1283 7.195,1284 4.727,1285 8.815,1286 6.804,1287 10.473,1289 1.147,1295 1.231,1297 5.887,1300 1.724,1305 35.852,1306 88.547,1307 197.023,1308 245.606,1309 276.825,1310 282.825,1311 282.825,1312 61.021,1313 8.423,1314 92.36,1315 100.74,1316 30,1317 12.794,1318 4.7,1319 3.907,1320 45.808,1321 142,1322 130,1323 0.156,1324 219.317,1325 375.99,1326 526.894,1327 60154,1329 22.294,1330 0.697,1331 0.57,1332 22.544,1333 18.224,1334 15.381,1335 0.427,1336 0.335,1337 10.199,1338 14.068,1339 9.782,1340 8.05,1341 16.275,1342 12.062,1343 14.881,1344 0.281,1345 0.186,1346 16.268,1347 9.844,1348 12.416,1349 0.177,1350 0.096,1351 13.173,1352 6.74,1353 10.149,1354 0.114,1355 0.051,1356 10.666,1357 4.516,1358 8.06,1359 0.071,1360 0.027,1361 8.417,1362 3.046,1363 0.247,1364 105.199,1365 0.203,1366 29.964,1367 0.422,1368 178,1369 541.426,1370 226.628,1371 541.88,1372 736.3,1373 502,1374 212,1375 517.069,1376 266.556,1377 556.713,1378 810.07,1379 521,1380 6.174}
{0 CHEMBL2332923,1 1.649,2 13.061,3 3.538,4 12.52,5 126.088,6 8.242,7 0.595,8 4.142,9 4.232,10 3.923,11 3.765,12 5.228,13 3.726,14 4.691,15 4.826,16 4.243,17 4.166,18 5.924,19 4.121,20 4.963,21 5.122,22 4.331,23 4.332,24 6.139,25 4.271,26 5.045,27 5.218,28 4.169,29 4.298,30 6.242,31 4.22,32 4.964,33 5.173,34 4.051,35 4.222,36 6.044,37 4.12,38 4.889,39 5.12,40 4.036,41 4.14,42 5.84,43 4.036,44 4.817,45 5.022,46 4.065,47 4.052,48 6.064,49 3.98,50 4.701,51 4.877,52 3.978,53 4.01,54 5.81,55 3.925,56 0.089,57 0.807,58 12.179,59 5.638,60 17.281,61 6.189,62 0.376,63 1.349,64 22.423,65 9.456,66 53.444,67 10.773,68 0.425,69 1.688,70 33.299,71 13.093,72 58.454,73 14.796,74 0.632,75 1.736,76 34.17,77 13.244,78 103.337,79 14.983,80 0.496,81 1.614,82 30.9,83 12.707,84 75.479,85 16.221,86 0.304,87 1.532,88 30.931,89 12.133,90 46.971,91 16.16,92 0.631,93 1.406,94 27.827,95 10.539,96 96.728,97 13.226,98 0.394,99 1.303,100 26.944,101 10.107,102 49.569,103 11.426,104 19,105 54,106 0.265,107 0.601,108 0.763,109 0.853,110 0.87,111 0.87,112 3.532,113 1.006,114 -4.22,115 -4.16,116 -3.94,119 44.6,120 1,125 4,142 10,143 4,144 2,146 1,152 1,158 1,160 1,172 12,174 2,175 6,178 1,180 1,183 14,186 1,187 15,192 2,195 12,199 14,204 1,207 9,211 1,212 9,217 1,220 7,224 10,229 2,232 7,236 4,237 6,242 2,245 8,249 2,250 4,258 10,263 3,266 2,271 9,275 1886,276 22.358,277 22.358,278 22.358,279 22.358,280 22.358,281 19.507,282 16.138,283 12.698,284 23.129,285 18.142,286 18.142,287 18.142,288 18.142,289 18.142,290 13.595,291 18.478,292 5.892,293 19.186,294 4.159,295 2.073,296 1.071,297 0.513,298 0.406,299 0.406,300 4.239,304 1,305 1,306 953,307 3.808,310 80.205,311 274.259,312 98.054,314 136.258,316 156.297,318 2.13,319 41.471,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71.5,331 431,332 4.842,333 5.243,334 7.286,335 4.234,336 3.37,337 4.696,338 2.95,339 12.335,340 3.018,341 4.477,342 3.706,343 6.432,344 4.051,345 3.073,346 4.392,347 1.23,348 9.929,349 2.947,350 4.312,351 3.195,352 6.32,353 3.945,354 2.97,355 3.964,356 0.86,357 9.61,358 2.827,359 4.193,360 2.969,361 6.152,362 3.791,363 2.815,364 3.697,365 0.521,366 9.075,367 2.733,368 3.863,369 2.801,370 5.912,371 3.49,372 2.516,373 3.31,375 8.263,376 2.443,377 3.515,378 2.602,379 5.25,380 3.123,381 2.167,382 2.815,384 6.403,385 2.062,386 3.062,387 2.328,388 4.825,389 2.65,390 1.68,391 2.302,393 4.948,394 1.618,395 3.034,396 2.095,397 4.518,398 2.601,399 1.666,400 2.248,402 4.566,403 1.546,404 2.994,405 1.985,406 4.392,407 2.499,408 1.534,409 2.173,411 4.25,412 1.479,413 2.87,414 1.535,415 4.259,416 2.457,417 1.475,418 1.983,420 3.919,421 1.446,422 2.553,423 1.513,424 3.77,425 2.101,426 1.133,427 1.575,428 2.678,429 1.084,430 2.5,431 1.23,432 3.44,433 2,434 1.035,435 1.5,436 2.373,437 1,438 2.449,439 1.045,440 3.414,441 1.976,442 1,443 1.365,445 2.275,446 0.97,447 2.124,448 1,449 3.387,450 1.732,451 0.734,452 0.968,454 1.837,455 0.721,456 1.903,457 0.949,458 3.114,459 1.373,460 0.422,461 0.62,463 1.035,464 0.4,465 15.867,466 0.481,467 0.902,468 0.027,469 46.5,470 1.409,471 25,472 0.758,473 21.5,474 0.652,475 26.303,476 0.797,477 34.533,478 0.617,479 37.666,480 1.141,481 8.934,482 0.271,483 7.008,484 0.212,485 0.095,486 0.053,487 0.309,493 0.597,494 1.227,495 0.786,496 1.121,497 0.603,498 0.897,499 0.821,500 0.989,501 0.938,502 0.96,503 0.602,504 0.878,505 1.08,506 1.074,507 1.129,508 1.118,509 0.933,510 0.993,511 1.503,512 1.03,513 1.153,514 1.009,515 1.581,516 1.125,517 0.828,518 0.982,519 0.826,520 0.923,521 0.959,522 1.056,523 0.548,524 1.026,525 0.676,526 0.963,527 0.493,528 0.968,529 0.832,530 0.914,531 0.744,532 0.813,533 0.56,534 0.876,535 1.105,536 1.048,537 1.253,538 1.167,539 0.951,540 1.076,541 7.5,542 0.218,543 5.111,544 2.194,545 1.614,546 1.174,547 0.774,548 0.54,549 0.387,550 0.295,551 16483,552 47488,553 2.123,554 41.1,556 18,558 1,559 1,561 3,564 1.751,565 1.99,566 3.667,567 -0.352,569 1,573 92.319,574 1.649,575 3.734,576 4.736,577 5.294,578 5.401,579 5.401,580 3.121,581 4.476,582 5.014,583 3.842,584 2028.81,585 8.775,586 30282.3,591 325.212,592 1.521,593 4.972,594 0.203,595 0.007,596 0.095,597 0.037,598 0.033,599 0.027,600 0.018,601 0.013,602 0.01,603 0.008,604 0.45,605 0.33,606 0.75,607 0.828,608 175.643,609 0.045,610 -0.112,611 0.179,612 -0.041,613 -0.102,614 0.028,615 0.072,616 0.09,617 0.005,618 0.041,619 0.133,620 0.043,621 -0.088,622 -0.059,623 -0.113,624 -0.084,625 -0.006,626 -0.034,627 -0.289,628 -0.074,629 -0.279,630 -0.094,631 -0.232,632 -0.19,633 0.007,634 -0.058,635 -0.024,636 -0.032,637 -0.059,638 -0.06,639 0.097,640 -0.098,641 0.187,642 -0.033,643 0.043,644 0.069,645 0.2,646 0.051,647 0.141,648 0.093,649 0.274,650 0.095,651 -0.081,652 -0.023,653 -0.17,654 -0.118,655 -0.054,656 -0.109,657 4.221,658 6.174,659 0.788,660 36.678,661 1.009,662 1.114,663 2.994,664 8.965,665 0.698,666 3.638,667 4.007,668 4.304,669 4.522,670 4.754,671 4.934,672 5.112,673 5.22,674 5.323,675 5.509,676 7.632,677 0.667,678 461.58,679 3.638,680 5.209,681 6.08,682 6.971,683 7.852,684 8.744,685 9.628,686 10.52,687 11.406,688 12.298,689 5.4,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,719 1,729 1,731 56,733 25,734 3,735 37,737 60,738 25,739 19,740 8,741 10,742 1,746 5,747 7,752 1,761 20,762 5,766 3,769 1,771 3,775 1,778 1,781 23,782 6,783 1,784 8,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 1,848 33,851 1,854 4,856 1,859 1,870 7.1,873 3,875 1,877 16.583,878 10.4,879 7.097,880 3.429,881 4.269,882 1.503,883 1.033,884 5.691,885 12.759,886 3.951,887 4.618,888 5.212,889 5.759,890 6.293,891 6.676,892 7.149,893 7.466,894 7.759,895 8.217,896 0.889,897 59,898 12.443,900 5.663,901 7.861,902 23.352,904 19.939,905 2.361,906 77.917,909 1,910 258.964,911 156.485,912 36.695,914 80.458,916 6.046,917 150.439,918 339.422,919 36.695,920 8.825,921 12.828,922 100.808,923 111.338,924 49.466,925 2.144,926 247.193,928 258.964,929 187.135,930 80.458,931 6.046,933 223.651,934 115.771,937 49.201,938 121.148,939 22.831,941 258.964,942 117.153,943 156.485,945 6.046,946 258.964,947 38.233,948 115.331,949 16.786,950 97.243,951 258.964,952 117.153,953 156.485,955 0.596,956 0.359,957 0.177,958 0.09,959 28,960 12,961 0.067,962 4,963 2,964 1.154,965 4.373,966 316.843,967 0.154,968 26,969 160.465,973 1,974 21.69,975 8.658,976 4.265,977 1.871,978 100.368,979 19.884,980 4.332,981 3.097,984 4.418,986 16.786,987 532.602,988 51,991 -3.304,993 37.283,997 -0.157,999 56.527,1000 62.405,1001 0.284,1002 0.643,1003 0.816,1004 0.912,1005 0.93,1006 0.93,1007 5.207,1008 1.666,1009 6.103,1010 4.948,1011 4.691,1012 5.306,1013 3.149,1014 6.965,1015 4.592,1016 6.456,1017 1.534,1018 7.706,1019 4.566,1020 4.443,1021 5.359,1022 0.325,1023 8.131,1024 4.248,1025 7.811,1026 1.475,1027 9.417,1028 4.25,1029 6.385,1030 7.646,1031 5.06,1032 11.154,1033 6.169,1034 9.208,1035 1.133,1036 11.193,1037 3.919,1038 6.957,1039 8.526,1040 0.74,1041 13.123,1042 6.624,1043 10.64,1044 1.035,1045 13.011,1046 2.678,1047 8.392,1048 10.318,1049 7.189,1050 15.726,1051 8.033,1052 12.096,1053 1,1054 14.858,1055 2.373,1056 9.306,1057 11.546,1058 1.168,1059 17.999,1060 8.827,1061 13.57,1062 0.734,1063 16.726,1064 2.275,1065 10.562,1066 13.162,1067 9.348,1068 20.494,1069 10.038,1070 3.37,1071 0.422,1072 18.611,1073 1.837,1074 11.622,1075 14.544,1076 1.605,1077 22.89,1078 10.983,1079 3.073,1080 12.335,1081 20.508,1082 1.035,1083 12.816,1084 16.094,1085 11.511,1086 25.367,1087 12.114,1088 2.97,1089 9.929,1090 22.416,1091 4.696,1092 13.939,1093 17.547,1094 2.049,1095 27.817,1096 13.127,1097 2.815,1098 9.61,1099 24.334,1100 4.392,1101 15.117,1102 19.074,1103 13.675,1104 30.299,1105 14.224,1106 2.516,1107 9.075,1108 26.259,1109 3.964,1110 16.27,1111 20.562,1112 2.494,1113 32.776,1114 15.27,1115 2.167,1116 8.263,1117 28.191,1118 3.697,1119 17.446,1120 22.083,1121 15.838,1122 35.267,1123 16.355,1124 1.68,1125 6.403,1126 30.13,1127 3.31,1128 18.615,1129 23.589,1130 2.938,1131 37.759,1132 17.417,1133 15327,1134 26154,1135 24.849,1136 39.097,1137 56.352,1138 59.013,1139 57.622,1140 56.037,1141 55.936,1142 76.048,1143 11.123,1144 168.001,1145 53.313,1146 5.762,1147 7.243,1148 6.813,1149 5.313,1150 5.37,1151 7.696,1152 5.9,1153 19.449,1154 5.018,1155 15.59,1156 1.523,1157 1.595,1158 1.557,1159 1.515,1160 1.512,1161 2.055,1162 0.301,1163 4.541,1164 1.441,1165 4.134,1166 4.163,1167 4.74,1168 4.112,1169 7.714,1170 4.05,1171 4.079,1172 4.064,1173 4.083,1174 4.024,1175 7.428,1176 3.994,1177 3.928,1178 3.952,1179 3.893,1180 3.816,1181 6.999,1182 3.824,1183 3.737,1184 3.743,1185 3.763,1186 3.662,1187 5.088,1188 3.617,1189 3.544,1190 3.597,1191 3.455,1192 3.375,1193 4.831,1194 3.381,1195 3.317,1196 3.374,1197 3.237,1198 3.158,1199 4.655,1200 3.17,1201 3.22,1202 3.273,1203 3.073,1204 3.018,1205 4.409,1206 3.014,1207 3.123,1208 3.177,1209 2.958,1210 2.946,1211 4.148,1212 2.919,1213 0.131,1214 0.142,1215 0.197,1216 0.114,1217 0.091,1218 4.842,1219 0.127,1220 5.243,1221 0.08,1222 7.286,1223 0.333,1224 4.234,1225 0.082,1226 3.37,1227 4.696,1228 2.95,1229 12.335,1230 3.018,1231 2.007,1232 2.006,1233 2.082,1234 2.077,1235 1.289,1236 2.093,1237 1.987,1238 1.984,1239 2.003,1240 2.045,1241 1.246,1242 2.073,1243 1.794,1244 1.769,1245 1.889,1246 1.902,1247 1.105,1248 1.906,1249 1.665,1250 1.659,1251 1.801,1252 1.84,1253 1.019,1254 1.852,1255 1.523,1256 1.464,1257 1.766,1258 1.72,1259 0.968,1260 1.749,1261 1.367,1262 1.288,1263 1.53,1264 1.655,1265 0.64,1266 1.625,1267 1.187,1268 1.138,1269 1.419,1270 1.404,1271 0.452,1272 1.417,1273 1.099,1274 1.056,1275 1.181,1276 1.298,1277 0.434,1278 1.342,1279 4.317,1281 5.673,1282 2.398,1283 7.219,1284 4.727,1285 8.843,1286 6.804,1287 10.505,1289 1.601,1295 1.258,1297 5.901,1300 1.732,1305 37.378,1306 92.319,1307 209.13,1308 265.238,1309 296.457,1310 302.457,1311 302.457,1312 65.048,1313 8.49,1314 92.36,1315 100.74,1316 30,1317 12.826,1318 4.7,1319 3.907,1320 47.956,1321 152,1322 152,1323 0.153,1324 228.909,1325 393.29,1326 550.299,1327 65566,1329 23.001,1330 0.697,1331 0.574,1332 23.251,1333 18.931,1334 15.942,1335 0.431,1336 0.335,1337 10.766,1338 14.549,1339 10.379,1340 8.535,1341 16.763,1342 12.41,1343 14.857,1344 0.275,1345 0.19,1346 16.232,1347 10.238,1348 13.208,1349 0.181,1350 0.105,1351 14.361,1352 7.673,1353 10.353,1354 0.114,1355 0.054,1356 10.972,1357 4.897,1358 8.216,1359 0.071,1360 0.028,1361 8.65,1362 3.275,1363 0.243,1364 107.831,1365 0.201,1366 30.778,1367 0.413,1368 182,1369 545.426,1370 233.969,1371 545.177,1372 744.02,1373 506,1374 218,1375 523.412,1376 274.89,1377 562.23,1378 823.89,1379 529,1380 5.663}
{0 CHEMBL2332924,1 1.649,2 12.424,3 3.676,4 13.512,5 126.381,6 8.242,7 0.595,8 4.142,9 4.232,10 3.923,11 3.765,12 5.231,13 3.726,14 4.691,15 4.828,16 4.232,17 4.162,18 5.942,19 4.124,20 4.944,21 5.092,22 4.321,23 4.338,24 6.119,25 4.282,26 5.052,27 5.229,28 4.225,29 4.337,30 6.197,31 4.25,32 5.032,33 5.242,34 4.124,35 4.271,36 6.133,37 4.169,38 4.948,39 5.159,40 4.074,41 4.194,42 5.967,43 4.094,44 4.942,45 5.172,46 4.109,47 4.13,48 6.131,49 4.043,50 4.804,51 4.996,52 3.983,53 4.068,54 5.863,55 3.97,56 0.089,57 0.807,58 12.179,59 5.638,60 17.012,61 6.189,62 0.387,63 1.345,64 23.162,65 9.472,66 53.243,67 10.821,68 0.42,69 1.648,70 28.69,71 12.152,72 58.532,73 13.923,74 0.486,75 1.782,76 33.077,77 13.637,78 76.144,79 16.112,80 0.582,81 1.743,82 36.75,83 13.92,84 85.718,85 17.103,86 0.401,87 1.604,88 31.785,89 12.553,90 68.477,91 16.02,92 0.675,93 1.577,94 33.209,95 12.32,96 104.496,97 15.994,98 0.51,99 1.415,100 30.823,101 11.221,102 60.649,103 12.8,104 27,105 55,106 0.265,107 0.609,108 0.783,109 0.871,110 0.885,111 0.885,112 3.532,113 1.012,114 -4.22,115 -4.16,116 -3.94,119 44.6,120 1,124 1,125 3,142 9,143 5,144 2,146 1,152 1,158 1,160 1,172 13,174 2,175 6,178 1,180 1,183 16,186 1,187 13,192 2,195 13,199 16,204 1,207 8,211 1,212 11,217 1,220 5,224 10,229 2,232 7,236 4,237 7,242 2,245 9,249 2,250 2,258 12,263 3,266 2,271 11,275 1838,276 21.936,277 21.936,278 21.936,279 21.936,280 21.936,281 18.993,282 17.981,283 12.46,284 22.523,285 18.25,286 18.25,287 18.25,288 18.25,289 18.25,290 13.635,291 21.041,292 5.892,293 19.201,294 4.159,295 2.027,296 0.943,297 0.398,298 0.313,299 0.313,300 4.237,304 1,305 1,306 905,307 3.742,310 79.312,311 271.081,312 96.122,314 134.607,316 153.363,318 2.013,319 40.961,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71.5,331 410,332 4.811,333 5.18,334 7.12,335 4.218,336 3.333,337 4.673,338 2.95,339 11.708,340 3.073,341 4.477,342 3.726,343 6.583,344 4.058,345 3.087,346 4.392,347 1.23,348 10.311,349 2.994,350 4.36,351 3.2,352 6.339,353 3.982,354 3.005,355 3.969,356 0.86,357 9.735,358 2.805,359 4.261,360 2.971,361 6.172,362 3.82,363 2.85,364 3.896,365 0.521,366 9.168,367 2.739,368 3.875,369 2.797,370 5.923,371 3.512,372 2.541,373 3.314,375 8.306,376 2.461,377 3.631,378 2.6,379 5.615,380 3.284,381 2.325,382 2.895,384 7.263,385 2.22,386 3.072,387 2.436,388 4.7,389 2.627,390 1.669,391 2.302,393 4.925,394 1.604,395 3.035,396 2.247,397 4.52,398 2.599,399 1.644,400 2.263,402 4.567,403 1.546,404 2.998,405 2.074,406 4.413,407 2.5,408 1.534,409 2.205,411 4.263,412 1.48,413 2.921,414 1.535,415 4.314,416 2.485,417 1.497,418 2.058,420 3.969,421 1.473,422 2.805,423 1.513,424 4.231,425 2.437,426 1.452,427 1.898,428 3.763,429 1.427,430 2.552,431 1.451,432 3.698,433 2.083,434 1.116,435 1.574,436 2.639,437 1.07,438 2.453,439 1.23,440 3.439,441 1.976,442 1.033,443 1.374,445 2.373,446 0.97,447 2.131,448 1.045,449 3.384,450 1.751,451 0.756,452 0.993,454 1.891,455 0.742,456 1.904,457 0.835,458 3.045,459 1.373,460 0.422,461 0.621,463 1.036,464 0.4,465 15.867,466 0.481,467 1.052,468 0.032,469 46.5,470 1.409,471 25,472 0.758,473 21.5,474 0.652,475 27.327,476 0.828,477 34.533,478 0.617,479 37.967,480 1.151,481 9.023,482 0.273,483 6.769,484 0.205,485 0.126,486 0.053,487 0.34,493 0.597,494 1.227,495 0.786,496 1.121,497 0.614,498 0.897,499 0.82,500 0.953,501 0.947,502 0.944,503 0.563,504 0.826,505 1.12,506 1.062,507 1,508 1.019,509 1.01,510 1.027,511 1.182,512 1.111,513 1.034,514 1.059,515 1.174,516 1.156,517 0.948,518 0.961,519 1.002,520 0.984,521 1.051,522 1.018,523 0.832,524 1.067,525 0.822,526 1.014,527 0.893,528 1.071,529 0.714,530 0.857,531 0.669,532 0.77,533 0.471,534 0.822,535 1.199,536 0.93,537 1.247,538 1.065,539 0.931,540 1.035,541 8,542 0.234,543 4.889,544 2.507,545 2.125,546 1.201,547 0.801,548 0.581,549 0.408,550 0.35,551 16051,552 46840,553 2.105,554 41.1,555 3,556 18,558 1,559 1,564 1.752,565 1.951,566 3.605,567 -0.352,569 1,573 92.319,574 1.649,575 3.78,576 4.865,577 5.41,578 5.495,579 5.495,580 3.037,581 4.393,582 5.016,583 3.791,584 2001.49,585 8.782,586 29517.6,591 325.212,592 1.6,593 4.962,594 0.216,595 0.007,596 0.089,597 0.042,598 0.042,599 0.026,600 0.019,601 0.013,602 0.01,603 0.01,604 0.474,605 0.5,606 0.75,607 0.718,608 174.798,609 0.045,610 -0.112,611 0.179,612 -0.041,613 -0.113,614 0.028,615 0.075,616 0.126,618 0.058,619 0.172,620 0.099,621 -0.126,622 -0.057,623 -0.137,624 -0.071,625 -0.08,626 -0.097,627 -0.173,628 -0.153,629 -0.181,630 -0.138,631 -0.132,632 -0.201,633 -0.029,634 -0.01,635 -0.065,636 -0.026,637 -0.044,638 -0.018,639 -0.018,640 -0.138,641 0.028,642 -0.095,643 -0.073,644 -0.066,645 0.23,646 0.081,647 0.233,648 0.142,649 0.293,650 0.185,651 -0.128,652 0.069,653 -0.168,654 -0.029,655 -0.081,656 -0.055,657 4.248,658 6.325,659 0.788,660 34.439,661 1.009,662 1.114,663 2.994,664 8.965,665 0.698,666 3.638,667 4.025,668 4.304,669 4.554,670 4.796,671 4.956,672 5.13,673 5.22,674 5.342,675 5.533,676 7.404,677 0.667,678 461.58,679 3.638,680 5.22,681 6.089,682 6.989,683 7.871,684 8.77,685 9.657,686 10.554,687 11.443,688 12.34,689 5.4,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,719 1,729 1,731 56,733 25,734 3,735 37,737 60,738 25,739 19,740 9,741 9,742 1,746 5,747 7,752 1,761 20,762 5,766 3,769 1,771 3,775 1,778 1,781 23,782 6,783 1,784 8,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 2,848 33,851 1,854 3,856 1,859 1,870 7.1,873 3,875 1,877 16.917,878 10.817,879 6.917,880 3.214,881 4.292,882 1.505,883 1.033,884 5.473,885 12.783,886 3.951,887 4.637,888 5.217,889 5.792,890 6.329,891 6.697,892 7.166,893 7.465,894 7.768,895 8.227,896 1,897 59,898 12.431,900 5.653,901 7.866,902 23.311,904 19.895,905 2.366,906 78.083,909 1,910 258.964,911 156.485,912 36.695,914 80.458,916 6.046,917 150.439,918 339.422,919 36.695,920 16.016,921 11.928,922 91.332,923 111.338,924 52.652,925 2.144,926 247.193,928 258.964,929 187.135,930 80.458,931 6.046,933 258.964,934 80.458,937 48.302,938 122.047,939 22.831,941 258.964,942 117.153,943 156.485,945 6.046,946 258.964,947 40.519,948 113.045,949 16.786,950 97.243,951 258.964,952 117.153,953 156.485,955 0.603,956 0.351,957 0.18,958 0.096,959 29,960 13,961 0.05,962 3,963 2,964 1.154,965 4.316,966 320.745,967 0.154,968 26,969 164.465,973 1,974 21.69,975 8.327,976 4.265,977 1.87,978 100.368,979 18.375,980 4.335,981 3.098,984 5.071,986 16.786,987 532.602,988 51,991 -3.331,993 37.003,997 -0.146,999 56.527,1000 62.405,1001 0.284,1002 0.651,1003 0.838,1004 0.932,1005 0.946,1006 0.946,1007 5.218,1008 1.644,1009 6.125,1010 4.925,1011 4.71,1012 5.325,1013 3.149,1014 6.993,1015 4.618,1016 6.479,1017 1.534,1018 7.731,1019 4.567,1020 4.511,1021 5.421,1022 0.325,1023 8.125,1024 4.33,1025 7.84,1026 1.497,1027 9.442,1028 4.263,1029 6.409,1030 7.674,1031 5.06,1032 11.155,1033 6.213,1034 9.239,1035 1.452,1036 11.215,1037 3.969,1038 6.995,1039 8.566,1040 0.74,1041 13.058,1042 6.698,1043 10.671,1044 1.116,1045 13.026,1046 3.763,1047 8.412,1048 10.346,1049 7.189,1050 15.654,1051 8.095,1052 12.125,1053 1.033,1054 14.863,1055 2.639,1056 9.326,1057 11.575,1058 1.168,1059 17.853,1060 8.912,1061 13.597,1062 0.756,1063 16.718,1064 2.373,1065 10.573,1066 13.183,1067 9.348,1068 20.317,1069 10.123,1070 3.333,1071 0.422,1072 18.587,1073 1.891,1074 11.625,1075 14.561,1076 1.605,1077 22.638,1078 11.087,1079 3.087,1080 11.708,1081 20.466,1082 1.036,1083 12.811,1084 16.104,1085 11.511,1086 25.065,1087 12.223,1088 3.005,1089 10.311,1090 22.355,1091 4.673,1092 13.924,1093 17.551,1094 2.049,1095 27.443,1096 13.255,1097 2.85,1098 9.735,1099 24.25,1100 4.392,1101 15.091,1102 19.071,1103 13.675,1104 29.864,1105 14.362,1106 2.541,1107 9.168,1108 26.152,1109 3.969,1110 16.233,1111 20.551,1112 2.494,1113 32.271,1114 15.426,1115 2.325,1116 8.306,1117 28.06,1118 3.896,1119 17.397,1120 22.065,1121 15.838,1122 34.697,1123 16.523,1124 1.669,1125 7.263,1126 29.972,1127 3.314,1128 18.554,1129 23.564,1130 2.938,1131 37.121,1132 17.603,1133 14933,1134 25653,1135 24.561,1136 39.097,1137 57.219,1138 59.711,1139 57.802,1140 56.624,1141 56.528,1142 76.854,1143 11.123,1144 171.834,1145 54.006,1146 5.733,1147 7.18,1148 6.647,1149 5.293,1150 5.333,1151 7.673,1152 5.9,1153 18.977,1154 5.073,1155 17.193,1156 1.546,1157 1.614,1158 1.562,1159 1.53,1160 1.528,1161 2.077,1162 0.301,1163 4.644,1164 1.46,1165 4.134,1166 4.164,1167 4.735,1168 4.108,1169 7.716,1170 4.052,1171 4.078,1172 4.067,1173 4.083,1174 4.024,1175 7.427,1176 3.996,1177 3.926,1178 3.95,1179 3.898,1180 3.816,1181 6.999,1182 3.823,1183 3.739,1184 3.731,1185 3.788,1186 3.675,1187 5.088,1188 3.612,1189 3.547,1190 3.595,1191 3.463,1192 3.376,1193 4.831,1194 3.382,1195 3.316,1196 3.373,1197 3.239,1198 3.157,1199 4.647,1200 3.168,1201 3.205,1202 3.261,1203 3.071,1204 3,1205 4.409,1206 2.997,1207 3.131,1208 3.212,1209 2.933,1210 2.976,1211 4.148,1212 2.957,1213 0.13,1214 0.14,1215 0.192,1216 0.114,1217 0.09,1218 4.811,1219 0.126,1220 5.18,1221 0.08,1222 7.12,1223 0.316,1224 4.218,1225 0.083,1226 3.333,1227 4.673,1228 2.95,1229 11.708,1230 3.073,1231 2.009,1232 2.01,1233 2.082,1234 2.078,1235 1.267,1236 2.095,1237 1.993,1238 1.984,1239 2.026,1240 2.051,1241 1.239,1242 2.073,1243 1.793,1244 1.769,1245 1.889,1246 1.901,1247 1.095,1248 1.902,1249 1.637,1250 1.646,1251 1.783,1252 1.825,1253 1.017,1254 1.837,1255 1.512,1256 1.463,1257 1.612,1258 1.688,1259 0.897,1260 1.736,1261 1.367,1262 1.288,1263 1.53,1264 1.654,1265 0.64,1266 1.625,1267 1.184,1268 1.128,1269 1.509,1270 1.407,1271 0.571,1272 1.44,1273 1.159,1274 1.088,1275 1.417,1276 1.364,1277 0.448,1278 1.388,1279 4.317,1281 5.687,1282 2.398,1283 7.236,1284 4.727,1285 8.865,1286 6.804,1287 10.534,1289 2.918,1295 1.229,1297 5.917,1300 1.745,1305 37.378,1306 92.319,1307 211.689,1308 272.418,1309 302.947,1310 307.702,1311 307.702,1312 65.586,1313 8.491,1314 92.36,1315 100.74,1316 30,1317 12.865,1318 4.7,1319 3.907,1320 47.896,1321 148,1322 129,1323 0.158,1324 228.909,1325 393.29,1326 550.299,1327 64985,1329 23.165,1330 0.702,1331 0.58,1332 23.415,1333 19.147,1334 15.792,1335 0.427,1336 0.337,1337 10.616,1338 14.479,1339 10.128,1340 8.362,1341 16.686,1342 12.478,1343 15.42,1344 0.28,1345 0.187,1346 16.808,1347 10.297,1348 12.812,1349 0.176,1350 0.097,1351 13.555,1352 7.049,1353 10.59,1354 0.113,1355 0.052,1356 11.118,1357 4.842,1358 8.529,1359 0.071,1360 0.029,1361 9.025,1362 3.444,1363 0.249,1364 107.663,1365 0.202,1366 30.621,1367 0.43,1368 184,1369 549.426,1370 232.628,1371 550.55,1372 749.37,1373 510,1374 220,1375 528.069,1376 274.556,1377 569.17,1378 828.76,1379 532,1380 5.523}
{0 CHEMBL2332925,1 1.627,2 12.471,3 4.132,4 17.073,5 130.982,6 8.061,7 0.579,8 4.187,9 4.28,10 3.946,11 3.805,12 5.258,13 3.762,14 4.741,15 4.885,16 4.251,17 4.203,18 5.966,19 4.158,20 5.002,21 5.163,22 4.349,23 4.379,24 6.144,25 4.319,26 5.089,27 5.263,28 4.273,29 4.393,30 6.219,31 4.306,32 5.104,33 5.314,34 4.224,35 4.356,36 6.179,37 4.25,38 5.055,39 5.262,40 4.184,41 4.3,42 6.095,43 4.198,44 5.07,45 5.288,46 4.17,47 4.248,48 6.264,49 4.152,50 4.988,51 5.218,52 4.053,53 4.186,54 5.964,55 4.068,56 0.082,57 0.848,58 13.268,59 5.998,60 16.993,61 6.77,62 0.376,63 1.414,64 24.954,65 10.104,66 53.973,67 11.864,68 0.415,69 1.74,70 31.902,71 13.074,72 60.441,73 15.52,74 0.445,75 1.856,76 34.476,77 14.212,78 74.305,79 17.081,80 0.528,81 1.876,82 38.694,83 15.013,84 82.104,85 18.817,86 0.447,87 1.802,88 38.544,89 14.264,90 76.002,91 17.72,92 0.761,93 1.764,94 37.169,95 13.828,96 127.85,97 17.618,98 0.548,99 1.665,100 38.847,101 13.8,102 69.769,103 16.953,104 30,105 56,106 0.26,107 0.604,108 0.791,109 0.873,110 0.886,111 0.886,112 3.561,113 1.029,114 -4.43,115 -4.36,116 -4.11,119 44.1,120 1,121 1,124 1,125 3,142 9,143 5,144 2,146 1,152 1,158 1,160 1,172 14,174 2,175 6,178 1,180 1,183 17,186 1,187 13,192 2,195 15,199 16,204 1,207 9,211 1,212 13,217 1,220 6,224 12,229 2,232 7,236 4,237 7,242 2,245 10,249 2,250 3,258 13,263 3,266 2,271 13,275 2014,276 22.806,277 22.806,278 22.806,279 22.806,280 22.806,281 19.916,282 19.194,283 12.984,284 23.393,285 18.687,286 18.687,287 18.687,288 18.687,289 18.687,290 14.062,291 21.041,292 6.051,293 19.638,294 4.255,295 2.098,296 0.929,297 0.411,298 0.331,299 0.331,300 4.266,305 1,306 932,307 3.873,310 82.134,311 281.315,312 99.058,314 139.398,316 158.42,318 2,319 41.867,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 73.5,331 424,332 4.812,333 5.18,334 7.121,335 4.224,336 3.336,337 4.674,338 2.95,339 11.721,340 3.089,341 4.477,342 3.728,343 6.612,344 4.06,345 3.092,346 4.392,347 1.23,348 10.447,349 2.996,350 4.371,351 3.202,352 6.34,353 3.988,354 3.011,355 3.971,356 0.86,357 9.748,358 2.805,359 4.266,360 2.972,361 6.175,362 3.825,363 2.856,364 3.911,365 0.521,366 9.186,367 2.741,368 3.877,369 2.845,370 5.927,371 3.519,372 2.549,373 3.314,375 8.325,376 2.466,377 3.651,378 2.6,379 5.687,380 3.318,381 2.356,382 2.908,384 7.507,385 2.258,386 3.082,387 2.476,388 4.733,389 2.642,390 1.67,391 2.302,393 4.96,394 1.624,395 3.035,396 2.266,397 4.525,398 2.6,399 1.654,400 2.278,402 4.569,403 1.552,404 3.001,405 2.076,406 4.47,407 2.569,408 1.585,409 2.217,411 4.309,412 1.546,413 2.951,414 1.55,415 4.373,416 2.499,417 1.534,418 2.086,420 4.163,421 1.478,422 2.828,423 1.535,424 4.251,425 2.45,426 1.469,427 1.922,428 3.889,429 1.439,430 2.552,431 1.513,432 3.711,433 2.084,434 1.117,435 1.574,436 2.641,437 1.07,438 2.454,439 1.23,440 3.439,441 1.976,442 1.033,443 1.375,445 2.373,446 0.97,447 2.133,448 1.045,449 3.384,450 1.76,451 0.768,452 1.003,454 1.901,455 0.753,456 1.904,457 0.835,458 3.045,459 1.445,460 0.444,461 0.622,463 1.038,464 0.441,465 16.367,466 0.481,467 1.014,468 0.03,469 47,470 1.382,471 25,472 0.735,473 22,474 0.647,475 29.448,476 0.866,477 35.833,478 0.607,479 38.792,480 1.141,481 8.964,482 0.264,483 7.366,484 0.217,485 0.122,486 0.051,487 0.33,493 0.595,494 1.236,495 0.797,496 1.13,497 0.611,498 0.916,499 0.811,500 0.973,501 0.951,502 0.963,503 0.561,504 0.853,505 1.092,506 1.018,507 0.953,508 0.972,509 0.985,510 0.97,511 1.186,512 1.123,513 1.036,514 1.07,515 1.189,516 1.158,517 0.899,518 1.005,519 0.945,520 0.993,521 1.021,522 1.027,523 0.958,524 1.077,525 1.021,526 1.105,527 0.996,528 1.068,529 0.95,530 0.921,531 0.815,532 0.85,533 0.842,534 0.947,535 1.006,536 0.848,537 1.062,538 0.956,539 0.785,540 0.922,541 8,542 0.246,543 4.889,544 2.507,545 2.245,546 1.431,547 0.801,548 0.581,549 0.439,550 0.36,551 17092,552 48559,553 2.102,554 42.4,555 5,556 18,558 1,559 1,564 1.761,565 1.952,566 3.619,567 -0.363,573 96.013,574 1.627,575 3.784,576 4.954,577 5.471,578 5.552,579 5.552,580 3.044,581 4.749,582 5.059,583 3.798,584 2130.7,585 8.875,586 32021,591 347.076,592 1.583,593 5.007,594 0.211,595 0.007,596 0.087,597 0.041,598 0.042,599 0.028,600 0.017,601 0.012,602 0.01,603 0.01,604 0.465,605 0.17,606 0.75,607 0.797,608 181.503,609 0.05,610 -0.109,611 0.179,612 -0.038,613 -0.107,614 0.028,615 0.084,616 0.109,617 0.004,618 0.047,619 0.174,620 0.085,621 -0.101,622 -0.012,623 -0.072,624 -0.015,625 -0.058,626 -0.022,627 -0.173,628 -0.152,629 -0.189,630 -0.144,631 -0.141,632 -0.205,633 -0.003,634 -0.05,635 -0.024,636 -0.035,637 -0.039,638 -0.032,639 -0.059,640 -0.111,641 -0.054,642 -0.12,643 -0.061,644 -0.071,645 0.122,646 0.016,647 0.07,648 0.054,649 0.165,650 0.031,651 -0.036,652 0.115,653 0.006,654 0.065,655 -0.014,656 0.093,657 4.258,658 6.484,659 0.765,660 35.851,661 1.007,662 1.116,663 3.199,664 10.231,665 0.693,666 3.664,667 4.043,668 4.331,669 4.585,670 4.836,671 5.004,672 5.159,673 5.257,674 5.371,675 5.565,676 7.459,677 0.659,678 475.61,679 3.664,680 5.242,681 6.111,682 7.011,683 7.895,684 8.795,685 9.684,686 10.582,687 11.473,688 12.371,689 5.1,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,719 1,729 1,731 59,733 25,734 3,735 38,737 63,738 26,739 19,740 9,741 9,742 1,746 5,747 7,752 1,758 1,761 20,762 6,766 3,769 1,771 3,775 1,781 25,782 6,783 1,784 8,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 2,848 34,851 1,854 4,856 1,859 1,870 6.8,873 3,875 1,877 17.417,878 11.317,879 7.25,880 3.589,881 4.313,882 1.504,883 1.027,884 5.926,885 12.868,886 3.97,887 4.647,888 5.233,889 5.81,890 6.353,891 6.726,892 7.184,893 7.487,894 7.782,895 8.237,896 1,897 61,898 12.821,900 5.806,901 7.841,902 24.127,904 20.557,905 2.341,906 79.583,910 282.506,911 159.02,912 36.695,914 80.458,916 6.046,917 152.974,918 362.964,919 36.695,920 16.016,921 14.463,922 91.332,923 111.338,924 52.652,925 2.144,926 270.735,928 282.506,929 189.669,930 80.458,931 6.046,933 282.506,934 80.458,937 50.836,938 122.047,939 22.831,941 282.506,942 117.153,943 159.02,945 6.046,946 282.506,947 43.053,948 113.045,949 16.786,950 97.243,951 282.506,952 117.153,953 159.02,955 0.597,956 0.353,957 0.184,958 0.1,959 29,960 13,961 0.063,962 4,963 2,964 1.154,965 4.37,966 334.547,967 0.154,968 26,969 170.974,973 1,974 22.64,975 8.899,976 4.493,977 1.873,978 100.368,979 18.515,980 4.343,981 3.103,984 5.226,986 16.786,987 558.679,988 52,991 -3.341,993 37.394,997 -0.128,999 59.411,1000 65.82,1001 0.277,1002 0.643,1003 0.842,1004 0.93,1005 0.944,1006 0.944,1007 5.234,1008 1.654,1009 6.142,1010 4.96,1011 4.727,1012 5.335,1013 3.149,1014 7.011,1015 4.638,1016 6.49,1017 1.585,1018 7.747,1019 4.569,1020 4.511,1021 5.421,1022 0.325,1023 8.146,1024 4.33,1025 7.849,1026 1.534,1027 9.458,1028 4.309,1029 6.425,1030 7.68,1031 5.06,1032 11.178,1033 6.233,1034 9.248,1035 1.469,1036 11.231,1037 4.163,1038 7.004,1039 8.57,1040 0.74,1041 13.085,1042 6.711,1043 10.679,1044 1.117,1045 13.042,1046 3.889,1047 8.427,1048 10.351,1049 7.189,1050 15.683,1051 8.116,1052 12.134,1053 1.033,1054 14.879,1055 2.641,1056 9.339,1057 11.58,1058 1.168,1059 17.884,1060 8.931,1061 13.605,1062 0.768,1063 16.735,1064 2.373,1065 10.587,1066 13.188,1067 9.348,1068 20.35,1069 10.146,1070 3.336,1071 0.444,1072 18.604,1073 1.901,1074 11.639,1075 14.566,1076 1.605,1077 22.673,1078 11.111,1079 3.092,1080 11.721,1081 20.484,1082 1.038,1083 12.826,1084 16.109,1085 11.511,1086 25.101,1087 12.25,1088 3.011,1089 10.447,1090 22.373,1091 4.674,1092 13.94,1093 17.556,1094 2.049,1095 27.481,1096 13.285,1097 2.856,1098 9.748,1099 24.269,1100 4.392,1101 15.108,1102 19.076,1103 13.675,1104 29.903,1105 14.395,1106 2.549,1107 9.186,1108 26.171,1109 3.971,1110 16.25,1111 20.556,1112 2.494,1113 32.311,1114 15.462,1115 2.356,1116 8.325,1117 28.078,1118 3.911,1119 17.415,1120 22.07,1121 15.838,1122 34.738,1123 16.563,1124 1.67,1125 7.507,1126 29.991,1127 3.314,1128 18.572,1129 23.568,1130 2.938,1131 37.162,1132 17.646,1133 15957,1134 27041,1135 25.255,1136 40.858,1137 58.284,1138 60.91,1139 59.165,1140 57.925,1141 57.773,1142 78.102,1143 11.123,1144 174.924,1145 55.252,1146 5.736,1147 7.18,1148 6.649,1149 5.299,1150 5.336,1151 7.674,1152 5.9,1153 19.008,1154 5.089,1155 17.567,1156 1.534,1157 1.603,1158 1.557,1159 1.524,1160 1.52,1161 2.055,1162 0.293,1163 4.603,1164 1.454,1165 4.136,1166 4.164,1167 4.735,1168 4.11,1169 7.716,1170 4.053,1171 4.08,1172 4.071,1173 4.083,1174 4.024,1175 7.427,1176 3.999,1177 3.926,1178 3.95,1179 3.901,1180 3.817,1181 6.999,1182 3.823,1183 3.751,1184 3.742,1185 3.798,1186 3.691,1187 5.089,1188 3.625,1189 3.56,1190 3.615,1191 3.47,1192 3.384,1193 4.831,1194 3.392,1195 3.364,1196 3.431,1197 3.247,1198 3.209,1199 4.637,1200 3.195,1201 3.306,1202 3.368,1203 3.152,1204 3.153,1205 4.409,1206 3.152,1207 3.191,1208 3.244,1209 3.063,1210 2.985,1211 4.148,1212 2.987,1213 0.127,1214 0.136,1215 0.187,1216 0.111,1217 0.088,1218 4.812,1219 0.123,1220 5.18,1221 0.078,1222 7.121,1223 0.308,1224 4.224,1225 0.081,1226 3.336,1227 4.674,1228 2.95,1229 11.721,1230 3.089,1231 2.011,1232 2.014,1233 2.082,1234 2.08,1235 1.296,1236 2.1,1237 1.997,1238 1.984,1239 2.041,1240 2.056,1241 1.244,1242 2.074,1243 1.793,1244 1.769,1245 1.89,1246 1.901,1247 1.095,1248 1.903,1249 1.648,1250 1.659,1251 1.789,1252 1.825,1253 1.017,1254 1.843,1255 1.539,1256 1.48,1257 1.731,1258 1.732,1259 1.004,1260 1.777,1261 1.369,1262 1.299,1263 1.572,1264 1.655,1265 0.75,1266 1.626,1267 1.361,1268 1.286,1269 1.529,1270 1.556,1271 0.635,1272 1.597,1273 1.17,1274 1.12,1275 1.417,1276 1.381,1277 0.448,1278 1.392,1279 4.344,1281 5.707,1282 2.398,1283 7.255,1284 4.727,1285 8.884,1286 6.804,1287 10.554,1289 3.093,1295 1.8,1297 5.943,1300 1.765,1305 38.905,1306 96.013,1307 223.269,1308 292.282,1309 322.811,1310 327.566,1311 327.566,1312 69.502,1313 8.554,1314 92.36,1315 100.74,1316 30,1317 12.895,1318 4.7,1319 3.907,1320 50.013,1321 153,1322 138,1323 0.159,1324 238.502,1325 410.59,1326 573.704,1327 70134,1329 23.872,1330 0.702,1331 0.584,1332 24.122,1333 19.854,1334 16.33,1335 0.43,1336 0.343,1337 11.176,1338 15.017,1339 10.694,1340 8.834,1341 17.224,1342 13.039,1343 15.611,1344 0.279,1345 0.187,1346 16.999,1347 10.493,1348 13.142,1349 0.175,1350 0.097,1351 13.885,1352 7.309,1353 10.839,1354 0.112,1355 0.052,1356 11.349,1357 5.002,1358 8.851,1359 0.071,1360 0.029,1361 9.336,1362 3.619,1363 0.25,1364 110.891,1365 0.199,1366 31.313,1367 0.434,1368 188,1369 553.426,1370 236.628,1371 554.288,1372 756.07,1373 514,1374 225,1375 534.069,1376 279.556,1377 574.297,1378 838.18,1379 538,1380 5.523}
{0 CHEMBL2332926,1 1.607,2 12.543,3 4.588,4 21.052,5 135.583,6 7.897,7 0.564,8 4.23,9 4.327,10 3.968,11 3.843,12 5.285,13 3.797,14 4.789,15 4.939,16 4.27,17 4.242,18 5.989,19 4.19,20 5.056,21 5.227,22 4.366,23 4.418,24 6.17,25 4.349,26 5.138,27 5.323,28 4.302,29 4.433,30 6.241,31 4.341,32 5.139,33 5.345,34 4.272,35 4.411,36 6.202,37 4.306,38 5.125,39 5.333,40 4.279,41 4.383,42 6.144,43 4.277,44 5.165,45 5.38,46 4.271,47 4.348,48 6.361,49 4.25,50 5.11,51 5.33,52 4.117,53 4.298,54 6.12,55 4.174,56 0.075,57 0.889,58 14.336,59 6.357,60 16.851,61 7.345,62 0.365,63 1.482,64 26.713,65 10.731,66 54.489,67 12.889,68 0.403,69 1.832,70 34.71,71 13.966,72 61.601,73 17.023,74 0.435,75 1.944,76 37.512,77 15.084,78 75.187,79 18.599,80 0.492,81 1.948,82 39.788,83 15.556,84 78.961,85 19.672,86 0.394,87 1.936,88 40.619,89 15.366,90 71.835,91 19.436,92 0.806,93 1.958,94 43.777,95 15.494,96 136.27,97 19.288,98 0.627,99 1.852,100 42.832,101 15.311,102 90.699,103 18.655,104 31,105 57,106 0.254,107 0.599,108 0.797,109 0.875,110 0.887,111 0.887,112 3.589,113 1.041,114 -4.63,115 -4.55,116 -4.28,119 43.5,120 1,121 2,124 1,125 3,142 9,143 5,144 2,146 1,152 1,158 1,160 1,172 15,174 2,175 6,178 1,180 1,183 18,186 1,187 13,192 2,195 16,199 16,204 1,207 11,211 1,212 13,217 1,220 7,224 14,229 2,232 8,236 4,237 9,242 2,245 10,249 2,250 3,258 14,263 4,266 2,271 14,275 2213,276 23.513,277 23.513,278 23.513,279 23.513,280 23.513,281 20.623,282 19.194,283 13.594,284 24.1,285 19.225,286 19.225,287 19.225,288 19.225,289 19.225,290 14.622,291 21.041,292 6.355,293 20.176,294 4.347,295 2.169,296 0.916,297 0.424,298 0.347,299 0.347,300 4.294,305 1,306 961,307 4,310 85.046,311 292.077,312 102.229,314 144.364,316 163.817,318 2.013,319 42.583,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 75.5,331 439,332 4.812,333 5.18,334 7.121,335 4.225,336 3.336,337 4.674,338 2.95,339 11.722,340 3.091,341 4.477,342 3.729,343 6.613,344 4.06,345 3.092,346 4.392,347 1.23,348 10.46,349 2.996,350 4.372,351 3.202,352 6.34,353 3.989,354 3.012,355 3.971,356 0.86,357 9.749,358 2.805,359 4.266,360 2.972,361 6.175,362 3.826,363 2.857,364 3.912,365 0.521,366 9.188,367 2.742,368 3.878,369 2.853,370 5.928,371 3.521,372 2.551,373 3.314,375 8.328,376 2.468,377 3.655,378 2.6,379 5.693,380 3.327,381 2.364,382 2.91,384 7.545,385 2.269,386 3.088,387 2.484,388 4.741,389 2.673,390 1.685,391 2.302,393 4.978,394 1.66,395 3.035,396 2.269,397 4.528,398 2.604,399 1.666,400 2.285,402 4.572,403 1.577,404 3.004,405 2.076,406 4.485,407 2.597,408 1.622,409 2.22,411 4.386,412 1.546,413 2.962,414 1.605,415 4.377,416 2.499,417 1.534,418 2.094,420 4.214,421 1.478,422 2.835,423 1.535,424 4.252,425 2.452,426 1.471,427 1.929,428 3.9,429 1.44,430 2.552,431 1.513,432 3.716,433 2.087,434 1.12,435 1.574,436 2.644,437 1.073,438 2.454,439 1.23,440 3.439,441 2,442 1.033,443 1.376,445 2.373,446 1,447 2.164,448 1.045,449 3.384,450 1.976,451 1,452 1.126,454 1.942,455 0.97,456 2.106,457 1,458 3.172,459 1.744,460 0.747,461 0.97,463 1.686,464 0.735,465 16.867,466 0.482,467 1.014,468 0.029,469 47.5,470 1.357,471 25,472 0.714,473 22.5,474 0.643,475 31.534,476 0.901,477 37.133,478 0.599,479 39.511,480 1.129,481 8.964,482 0.256,483 7.866,484 0.225,485 0.119,486 0.049,487 0.32,493 0.595,494 1.244,495 0.808,496 1.139,497 0.609,498 0.934,499 0.804,500 0.992,501 0.955,502 0.981,503 0.556,504 0.878,505 1.07,506 1.013,507 0.94,508 0.967,509 0.969,510 0.963,511 1.165,512 1.084,513 0.995,514 1.027,515 1.168,516 1.101,517 0.904,518 1.02,519 0.951,520 1.005,521 1.037,522 1.035,523 0.909,524 1.114,525 0.965,526 1.105,527 0.968,528 1.074,529 1.066,530 0.943,531 0.999,532 0.947,533 0.945,534 0.955,535 1.221,536 0.911,537 1.163,538 1.014,539 1.132,540 1.029,541 8,542 0.255,543 4.889,544 2.507,545 2.245,546 1.514,547 0.963,548 0.581,549 0.439,550 0.385,551 18285,552 50526,553 2.099,554 43.5,555 7,556 18,558 1,559 1,564 1.769,565 1.953,566 3.636,567 -0.373,573 99.641,574 1.607,575 3.785,576 5.038,577 5.531,578 5.607,579 5.607,580 3.051,581 4.765,582 5.101,583 3.812,584 2268.42,585 8.964,586 34862.3,591 369.16,592 1.566,593 5.051,594 0.205,595 0.007,596 0.086,597 0.04,598 0.04,599 0.028,600 0.019,601 0.011,602 0.01,603 0.01,604 0.456,605 0.17,606 0.75,607 0.93,608 188.448,609 0.054,610 -0.105,611 0.178,612 -0.035,613 -0.101,614 0.028,615 0.091,616 0.094,617 0.006,618 0.036,619 0.18,620 0.073,621 -0.084,622 -0.006,623 -0.047,624 -0.004,625 -0.046,626 -0.004,627 -0.152,628 -0.11,629 -0.136,630 -0.094,631 -0.121,632 -0.139,633 -0.006,634 -0.053,635 -0.04,636 -0.045,637 -0.051,638 -0.047,639 -0.031,640 -0.143,641 -0.012,642 -0.121,643 -0.057,644 -0.078,645 0.081,646 0.027,647 -0.006,648 0.017,649 0.166,650 0.016,651 -0.119,652 0.05,653 -0.123,654 -0.01,655 -0.114,656 -0.04,657 4.266,658 6.6,659 0.743,660 38.09,661 1.005,662 1.117,663 3.4,664 11.559,665 0.687,666 3.689,667 4.06,668 4.344,669 4.605,670 4.86,671 5.037,672 5.198,673 5.283,674 5.403,675 5.587,676 7.559,677 0.652,678 489.64,679 3.689,680 5.263,681 6.129,682 7.027,683 7.91,684 8.809,685 9.698,686 10.597,687 11.488,688 12.386,689 4.8,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,719 1,729 1,731 62,733 25,734 3,735 39,737 66,738 27,739 19,740 9,741 9,742 1,746 5,747 7,752 1,758 2,761 20,762 7,766 3,769 1,771 3,775 1,781 27,782 6,783 1,784 8,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 2,848 35,851 1,854 5,856 1,859 1,870 6.5,873 3,875 1,877 17.917,878 11.817,879 7.5,880 3.839,881 4.332,882 1.503,883 1.021,884 6.392,885 12.946,886 3.989,887 4.656,888 5.238,889 5.819,890 6.363,891 6.742,892 7.202,893 7.5,894 7.798,895 8.245,896 1,897 62,898 13.207,900 5.956,901 7.817,902 24.944,904 21.224,905 2.317,906 81.083,910 306.049,911 161.554,912 36.695,914 80.458,916 6.046,917 155.508,918 386.506,919 36.695,920 16.016,921 16.997,922 91.332,923 111.338,924 52.652,925 2.144,926 294.278,928 306.049,929 192.204,930 80.458,931 6.046,933 306.049,934 80.458,937 53.371,938 122.047,939 22.831,941 306.049,942 117.153,943 161.554,945 6.046,946 306.049,947 45.588,948 113.045,949 16.786,950 97.243,951 306.049,952 117.153,953 161.554,955 0.593,956 0.346,957 0.184,958 0.102,959 29,960 13,961 0.076,962 5,963 2,964 1.154,965 4.442,966 347.228,967 0.154,968 26,969 177.525,973 1,974 23.592,975 9.483,976 4.841,977 1.875,978 100.368,979 18.607,980 4.35,981 3.107,984 5.3,986 16.786,987 584.756,988 53,991 -3.349,993 37.686,997 -0.117,999 62.294,1000 69.235,1001 0.27,1002 0.636,1003 0.846,1004 0.929,1005 0.942,1006 0.942,1007 5.25,1008 1.666,1009 6.155,1010 4.978,1011 4.745,1012 5.345,1013 3.149,1014 7.02,1015 4.657,1016 6.5,1017 1.622,1018 7.756,1019 4.572,1020 4.511,1021 5.421,1022 0.325,1023 8.146,1024 4.33,1025 7.856,1026 1.534,1027 9.464,1028 4.386,1029 6.435,1030 7.683,1031 5.06,1032 11.183,1033 6.245,1034 9.253,1035 1.471,1036 11.235,1037 4.214,1038 7.004,1039 8.57,1040 0.74,1041 13.087,1042 6.711,1043 10.683,1044 1.12,1045 13.045,1046 3.9,1047 8.433,1048 10.352,1049 7.189,1050 15.687,1051 8.124,1052 12.136,1053 1.033,1054 14.882,1055 2.644,1056 9.34,1057 11.58,1058 1.168,1059 17.887,1060 8.933,1061 13.607,1062 1,1063 16.737,1064 2.373,1065 10.591,1066 13.189,1067 9.348,1068 20.353,1069 10.152,1070 3.336,1071 0.747,1072 18.606,1073 1.942,1074 11.641,1075 14.566,1076 1.605,1077 22.677,1078 11.115,1079 3.092,1080 11.722,1081 20.486,1082 1.686,1083 12.829,1084 16.109,1085 11.511,1086 25.105,1087 12.256,1088 3.012,1089 10.46,1090 22.374,1091 4.674,1092 13.942,1093 17.556,1094 2.049,1095 27.485,1096 13.289,1097 2.857,1098 9.749,1099 24.27,1100 4.392,1101 15.11,1102 19.076,1103 13.675,1104 29.907,1105 14.4,1106 2.551,1107 9.188,1108 26.172,1109 3.971,1110 16.252,1111 20.556,1112 2.494,1113 32.315,1114 15.467,1115 2.364,1116 8.328,1117 28.08,1118 3.912,1119 17.418,1120 22.07,1121 15.838,1122 34.742,1123 16.569,1124 1.685,1125 7.545,1126 29.992,1127 3.314,1128 18.575,1129 23.569,1130 2.938,1131 37.165,1132 17.653,1133 17124,1134 28619,1135 25.948,1136 42.62,1137 59.641,1138 62.2,1139 60.481,1140 59.136,1141 59.023,1142 79.339,1143 11.123,1144 177.443,1145 56.501,1146 5.738,1147 7.18,1148 6.884,1149 5.3,1150 5.336,1151 7.674,1152 5.9,1153 19.013,1154 5.091,1155 17.936,1156 1.529,1157 1.595,1158 1.551,1159 1.516,1160 1.513,1161 2.034,1162 0.285,1163 4.55,1164 1.449,1165 4.137,1166 4.165,1167 4.735,1168 4.111,1169 7.716,1170 4.054,1171 4.08,1172 4.073,1173 4.084,1174 4.024,1175 7.427,1176 4,1177 3.926,1178 3.95,1179 3.902,1180 3.817,1181 6.999,1182 3.823,1183 3.76,1184 3.754,1185 3.802,1186 3.7,1187 5.089,1188 3.633,1189 3.581,1190 3.644,1191 3.477,1192 3.407,1193 4.831,1194 3.411,1195 3.47,1196 3.523,1197 3.313,1198 3.329,1199 4.635,1200 3.309,1201 3.312,1202 3.371,1203 3.228,1204 3.156,1205 4.409,1206 3.165,1207 3.194,1208 3.246,1209 3.067,1210 2.985,1211 4.148,1212 2.988,1213 0.123,1214 0.133,1215 0.183,1216 0.108,1217 0.086,1218 4.812,1219 0.12,1220 5.18,1221 0.076,1222 7.121,1223 0.301,1224 4.225,1225 0.079,1226 3.336,1227 4.674,1228 2.95,1229 11.722,1230 3.091,1231 2.012,1232 2.016,1233 2.083,1234 2.08,1235 1.324,1236 2.102,1237 1.998,1238 1.984,1239 2.052,1240 2.058,1241 1.246,1242 2.074,1243 1.793,1244 1.769,1245 1.892,1246 1.901,1247 1.105,1248 1.903,1249 1.666,1250 1.671,1251 1.839,1252 1.825,1253 1.093,1254 1.86,1255 1.576,1256 1.511,1257 1.776,1258 1.789,1259 1.017,1260 1.813,1261 1.448,1262 1.4,1263 1.582,1264 1.656,1265 0.822,1266 1.664,1267 1.366,1268 1.288,1269 1.53,1270 1.619,1271 0.637,1272 1.625,1273 1.171,1274 1.121,1275 1.418,1276 1.383,1277 0.49,1278 1.393,1279 4.369,1281 5.727,1282 2.398,1283 7.269,1284 4.727,1285 8.894,1286 6.804,1287 10.564,1289 3.198,1295 2.684,1297 5.964,1300 1.779,1305 40.432,1306 99.641,1307 234.657,1308 312.366,1309 342.896,1310 347.65,1311 347.65,1312 73.357,1313 8.614,1314 92.36,1315 100.74,1316 30,1317 12.911,1318 4.7,1319 3.907,1320 52.171,1321 159,1322 147,1323 0.158,1324 248.094,1325 427.89,1326 597.11,1327 75602,1329 24.579,1330 0.702,1331 0.587,1332 24.829,1333 20.561,1334 16.83,1335 0.432,1336 0.347,1337 11.676,1338 15.517,1339 11.181,1340 9.262,1341 17.724,1342 13.539,1343 15.992,1344 0.281,1345 0.191,1346 17.379,1347 10.889,1348 13.277,1349 0.175,1350 0.098,1351 14.02,1352 7.447,1353 11.072,1354 0.112,1355 0.052,1356 11.583,1357 5.186,1358 9.026,1359 0.071,1360 0.029,1361 9.5,1362 3.733,1363 0.249,1364 113.891,1365 0.196,1366 32.04,1367 0.434,1368 192,1369 557.426,1370 240.628,1371 558.533,1372 761.87,1373 518,1374 229,1375 538.069,1376 283.556,1377 578.636,1378 844.41,1379 542,1380 5.523}
{0 CHEMBL2332927,1 1.662,2 12.543,3 3.347,4 11.203,5 136.282,6 8.043,7 0.564,8 4.223,9 4.323,10 3.973,11 3.815,12 5.298,13 3.779,14 4.773,15 4.922,16 4.275,17 4.208,18 5.998,19 4.168,20 5.033,21 5.204,22 4.37,23 4.379,24 6.174,25 4.324,26 5.105,27 5.284,28 4.312,29 4.393,30 6.248,31 4.315,32 5.114,33 5.321,34 4.278,35 4.372,36 6.216,37 4.276,38 5.096,39 5.309,40 4.278,41 4.34,42 6.122,43 4.246,44 5.123,45 5.328,46 4.276,47 4.309,48 6.36,49 4.224,50 5.083,51 5.301,52 4.118,53 4.269,54 6.11,55 4.152,56 0.099,57 0.914,58 13.839,59 6.042,60 17.787,61 6.885,62 0.41,63 1.492,64 25.868,65 10.065,66 55.528,67 11.955,68 0.486,69 1.828,70 33.511,71 12.951,72 63.697,73 15.609,74 0.564,75 1.916,76 35.742,77 13.951,78 78.548,79 17.166,80 0.612,81 1.915,82 37.58,83 14.546,84 82.288,85 18.696,86 0.471,87 1.916,88 39.396,89 14.135,90 68.652,91 17.964,92 0.896,93 1.89,94 41.24,95 14.258,96 135.64,97 17.553,98 0.667,99 1.805,100 41.475,101 14.609,102 92.214,103 17.768,104 31,105 57,106 0.264,107 0.614,108 0.788,109 0.878,110 0.89,111 0.89,112 3.589,113 1.022,114 -3.95,115 -3.9,116 -3.7,119 42.6,120 1,124 1,125 4,142 9,143 4,144 3,146 1,152 1,158 1,160 1,172 10,174 2,175 6,178 1,180 4,183 13,186 1,187 11,192 3,195 11,199 12,202 2,204 2,207 9,211 1,212 9,215 2,217 1,220 5,224 11,229 3,232 6,236 4,237 8,240 1,242 3,245 6,249 2,250 2,255 2,258 9,263 4,266 2,268 2,271 8,275 2213,276 23.513,277 23.513,278 23.513,279 23.513,280 23.513,281 20.623,282 23.461,283 13.594,284 24.199,285 19.225,286 19.225,287 19.225,288 19.225,289 19.225,290 14.622,291 32.505,292 6.355,293 20.294,294 4.269,295 2.062,296 0.964,297 0.398,298 0.32,299 0.32,300 4.294,305 1,306 961,307 4,310 85.046,311 292.077,312 102.229,314 144.364,316 163.817,318 2.013,319 43.488,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 76,331 439,332 4.812,333 5.18,334 7.121,335 4.222,336 3.336,337 4.674,338 2.95,339 11.722,340 3.072,341 4.477,342 3.726,343 6.613,344 4.059,345 3.092,346 4.392,347 1.23,348 10.46,349 2.994,350 4.372,351 3.201,352 6.34,353 3.987,354 3.012,355 3.971,356 0.86,357 9.749,358 2.805,359 4.266,360 2.971,361 6.175,362 3.824,363 2.857,364 3.912,365 0.521,366 9.188,367 2.74,368 3.878,369 2.822,370 5.928,371 3.518,372 2.551,373 3.314,374 0.4,375 8.328,376 2.462,377 3.655,378 2.6,379 5.693,380 3.316,381 2.364,382 2.91,384 7.545,385 2.24,386 3.088,387 2.468,388 4.741,389 2.654,390 1.685,391 2.302,393 4.978,394 1.627,395 3.035,396 2.265,397 4.528,398 2.601,399 1.666,400 2.285,402 4.572,403 1.56,404 3.004,405 2.076,406 4.485,407 2.589,408 1.622,409 2.22,411 4.386,412 1.546,413 2.962,414 1.643,415 4.377,416 2.499,417 1.534,418 2.094,420 4.214,421 1.478,422 2.835,423 1.535,424 4.252,425 2.451,426 1.471,427 1.929,428 3.9,429 1.439,430 2.552,431 1.513,432 3.716,433 2.086,434 1.12,435 1.574,436 2.644,437 1.072,438 2.454,439 1.23,440 3.439,441 1.976,442 1.033,443 1.376,445 2.373,446 0.971,447 2.164,448 1.114,449 3.384,450 1.969,451 1,452 1.126,454 1.942,455 0.966,456 2.106,457 1.045,458 3.172,459 1.743,460 0.747,461 0.97,463 1.686,464 0.734,465 16.767,466 0.479,467 1.014,468 0.029,469 48.5,470 1.386,471 25.5,472 0.729,473 23,474 0.657,475 30.11,476 0.86,477 37.233,478 0.61,479 40.935,480 1.17,481 9.37,482 0.268,483 7.46,484 0.213,485 0.119,486 0.05,487 0.322,493 0.644,494 1.284,495 0.804,496 1.14,497 0.624,498 0.92,499 0.854,500 1.024,501 0.962,502 0.978,503 0.572,504 0.863,505 1.134,506 1.014,507 0.953,508 0.946,509 0.999,510 0.942,511 1.145,512 1.084,513 1.004,514 1.053,515 1.187,516 1.123,517 0.812,518 1.026,519 0.875,520 0.976,521 0.958,522 1.034,523 0.914,524 1.073,525 0.962,526 1.067,527 0.886,528 1.034,529 1.089,530 0.962,531 1.038,532 0.971,533 0.984,534 0.986,535 1.182,536 0.927,537 1.163,538 1.035,539 1.14,540 1.044,541 8,542 0.255,543 4.889,544 2.507,545 2.245,546 1.514,547 0.963,548 0.581,549 0.439,550 0.385,551 18285,552 52130,553 2.099,554 42.6,556 20,558 1,559 2,561 3,564 1.769,565 1.953,566 3.636,567 0.191,573 101.352,574 1.662,575 3.868,576 4.967,577 5.533,578 5.611,579 5.611,580 3.051,581 4.765,582 5.101,583 3.812,584 2268.42,585 8.964,586 34862.3,591 361.775,592 1.566,593 5.051,594 0.205,595 0.007,596 0.086,597 0.04,598 0.04,599 0.028,600 0.019,601 0.011,602 0.01,603 0.01,604 0.456,605 0.33,606 0.75,607 0.93,608 188.448,609 0.027,610 -0.118,611 0.172,612 -0.036,613 -0.114,614 0.03,615 0.058,616 0.079,617 -0.004,618 0.038,619 0.17,620 0.076,621 -0.123,622 0.011,623 -0.061,624 0.011,625 -0.064,626 0.006,627 -0.119,628 -0.101,629 -0.15,630 -0.12,631 -0.12,632 -0.168,633 0.068,634 -0.064,636 -0.038,637 -0.007,638 -0.046,639 -0.052,640 -0.083,641 -0.003,642 -0.089,643 -0.051,644 -0.042,645 0.076,646 0.012,647 -0.045,648 -0.005,649 0.158,650 -0.022,651 -0.118,652 0.024,653 -0.122,654 -0.023,655 -0.116,656 -0.046,657 4.306,658 6.56,659 0.743,660 38.09,661 1.008,662 1.12,663 2.718,664 7.389,665 0.686,666 3.689,667 4.06,668 4.344,669 4.605,670 4.86,671 5.037,672 5.198,673 5.283,674 5.403,675 5.587,676 7.559,677 0.655,678 490.63,679 3.689,680 5.263,681 6.129,682 7.027,683 7.91,684 8.809,685 9.698,686 10.597,687 11.488,688 12.386,689 6.6,694 1,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,719 1,724 1,729 1,731 61,733 25,734 3,735 39,737 65,738 26,739 19,740 9,741 9,742 1,746 5,747 7,752 1,761 20,762 6,766 3,769 1,771 3,775 1,781 26,782 7,783 2,784 9,785 1,787 1,790 4,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 2,848 35,851 1,854 4,855 1,856 1,859 1,870 6.6,873 3,875 1,877 17.917,878 11.567,879 7.5,880 3.651,881 4.332,882 1.503,883 1.025,884 6.367,885 12.946,886 3.989,887 4.656,888 5.238,889 5.819,890 6.363,891 6.742,892 7.202,893 7.5,894 7.798,895 8.245,896 1,897 62,898 13.193,900 5.952,901 7.845,902 24.759,904 20.931,905 2.345,906 82.083,910 282.506,911 158.162,912 54.706,914 80.458,916 6.046,917 152.116,918 362.964,919 54.706,920 16.016,921 14.034,922 91.332,923 129.349,924 52.223,925 2.144,926 270.735,928 282.506,929 206.822,930 80.458,931 6.046,933 247.193,934 115.771,937 50.407,938 121.619,939 40.842,941 282.506,942 135.164,943 158.162,945 6.046,946 282.506,947 42.196,948 113.045,949 34.796,950 97.243,951 282.506,952 135.164,953 158.162,955 0.593,956 0.346,957 0.184,958 0.102,959 29,960 13,961 0.077,962 5,963 2,964 1.154,965 4.442,966 347.228,967 0.154,968 26,969 177.525,973 1,974 23.555,975 9.46,976 4.827,977 1.862,978 118.378,979 18.327,980 4.344,981 3.102,984 4.818,986 34.796,987 575.832,988 53,991 -3.389,993 37.591,997 -0.18,999 61.512,1000 68.318,1001 0.28,1002 0.652,1003 0.837,1004 0.933,1005 0.946,1006 0.946,1007 5.25,1008 1.666,1009 6.155,1010 4.978,1011 4.745,1012 5.345,1013 3.162,1014 7.02,1015 4.648,1016 6.5,1017 1.622,1018 7.756,1019 4.572,1020 4.511,1021 5.421,1022 0.325,1023 8.146,1024 4.322,1025 7.856,1026 1.534,1027 9.464,1028 4.386,1029 6.435,1030 7.683,1031 5.06,1032 11.183,1033 6.229,1034 9.253,1035 1.471,1036 11.235,1037 4.214,1038 7.004,1039 8.57,1040 0.74,1041 13.087,1042 6.696,1043 10.683,1044 1.12,1045 13.045,1046 3.9,1047 8.433,1048 10.352,1049 7.189,1050 15.687,1051 8.104,1052 12.136,1053 1.033,1054 14.882,1055 2.644,1056 9.34,1057 11.58,1058 1.168,1059 17.887,1060 8.913,1061 13.607,1062 1,1063 16.737,1064 2.373,1065 10.591,1066 13.189,1067 9.348,1068 20.353,1069 10.127,1070 3.336,1071 0.747,1072 18.606,1073 1.942,1074 11.641,1075 14.566,1076 1.605,1077 22.677,1078 11.088,1079 3.092,1080 11.722,1081 20.486,1082 1.686,1083 12.829,1084 16.109,1085 11.511,1086 25.105,1087 12.225,1088 3.012,1089 10.46,1090 22.374,1091 4.674,1092 13.942,1093 17.556,1094 2.049,1095 27.485,1096 13.255,1097 2.857,1098 9.749,1099 24.27,1100 4.392,1101 15.11,1102 19.076,1103 13.675,1104 29.907,1105 14.363,1106 2.551,1107 9.188,1108 26.172,1109 3.971,1110 16.252,1111 20.556,1112 2.494,1113 32.315,1114 15.425,1115 2.364,1116 8.328,1117 28.08,1118 3.912,1119 17.418,1120 22.07,1121 15.838,1122 34.742,1123 16.523,1124 1.685,1125 7.545,1126 29.992,1127 3.314,1128 18.575,1129 23.569,1130 2.938,1131 37.165,1132 17.602,1133 17124,1134 29065,1135 25.948,1136 41.864,1137 59.641,1138 62.286,1139 60.481,1140 59.131,1141 59.023,1142 79.339,1143 11.923,1144 177.443,1145 56.213,1146 5.738,1147 7.18,1148 6.884,1149 5.298,1150 5.336,1151 7.674,1152 5.9,1153 19.013,1154 5.072,1155 17.936,1156 1.529,1157 1.597,1158 1.551,1159 1.516,1160 1.513,1161 2.034,1162 0.306,1163 4.55,1164 1.441,1165 4.135,1166 4.164,1167 4.735,1168 4.104,1169 7.716,1170 4.051,1171 4.077,1172 4.069,1173 4.084,1174 4.024,1175 7.427,1176 3.992,1177 3.926,1178 3.95,1179 3.9,1180 3.816,1181 6.999,1182 3.823,1183 3.745,1184 3.743,1185 3.794,1186 3.663,1187 5.089,1188 3.608,1189 3.565,1190 3.631,1191 3.471,1192 3.378,1193 4.831,1194 3.385,1195 3.456,1196 3.519,1197 3.289,1198 3.281,1199 4.674,1200 3.264,1201 3.312,1202 3.371,1203 3.225,1204 3.156,1205 4.409,1206 3.165,1207 3.194,1208 3.246,1209 3.067,1210 2.985,1211 4.182,1212 2.988,1213 0.123,1214 0.133,1215 0.183,1216 0.108,1217 0.086,1218 4.812,1219 0.12,1220 5.18,1221 0.076,1222 7.121,1223 0.301,1224 4.222,1225 0.079,1226 3.336,1227 4.674,1228 2.95,1229 11.722,1230 3.072,1231 2.007,1232 2.002,1233 2.081,1234 2.079,1235 1.258,1236 2.093,1237 1.986,1238 1.983,1239 2.004,1240 2.054,1241 1.232,1242 2.073,1243 1.793,1244 1.769,1245 1.889,1246 1.901,1247 1.095,1248 1.902,1249 1.637,1250 1.64,1251 1.811,1252 1.825,1253 1.017,1254 1.843,1255 1.538,1256 1.472,1257 1.775,1258 1.77,1259 0.99,1260 1.796,1261 1.44,1262 1.376,1263 1.581,1264 1.656,1265 0.82,1266 1.664,1267 1.366,1268 1.288,1269 1.529,1270 1.619,1271 0.636,1272 1.625,1273 1.171,1274 1.121,1275 1.417,1276 1.383,1277 0.448,1278 1.393,1279 4.369,1281 5.727,1282 2.398,1283 7.269,1284 4.727,1285 8.894,1286 6.804,1287 10.564,1289 3.059,1295 1.728,1296 3.135,1297 5.949,1300 1.739,1305 39.927,1306 101.352,1307 235.969,1308 302.981,1309 337.51,1310 342.265,1311 342.265,1312 72.087,1313 8.614,1314 104.39,1315 112.77,1316 30,1317 12.911,1318 4.7,1319 3.907,1320 52.171,1321 159,1322 147,1323 0.158,1324 245.296,1325 421.59,1326 590.282,1327 75602,1329 24.579,1330 0.702,1331 0.582,1332 24.829,1333 20.354,1334 16.83,1335 0.432,1336 0.341,1337 11.406,1338 15.439,1339 10.936,1340 9.042,1341 17.724,1342 13.289,1343 15.992,1344 0.281,1345 0.185,1346 17.379,1347 10.558,1348 13.277,1349 0.175,1350 0.095,1351 14.02,1352 7.209,1353 11.072,1354 0.112,1355 0.05,1356 11.583,1357 4.953,1358 9.026,1359 0.071,1360 0.027,1361 9.5,1362 3.505,1363 0.249,1364 114.345,1365 0.196,1366 32.04,1367 0.434,1368 192,1369 571.759,1370 242.349,1371 571.128,1372 779.23,1373 530,1374 229,1375 551.759,1376 285.221,1377 591.1,1378 862.67,1379 554,1380 5.523}
{0 CHEMBL2332928,1 1.78,2 12.424,3 3.854,4 14.853,5 126.145,6 9.094,7 0.595,8 4.1,9 4.18,10 3.956,11 3.743,12 5.217,13 3.709,14 4.644,15 4.765,16 4.283,17 4.145,18 5.941,19 4.111,20 4.911,21 5.05,22 4.392,23 4.318,24 6.124,25 4.264,26 4.988,27 5.149,28 4.38,29 4.299,30 6.213,31 4.218,32 4.937,33 5.134,34 4.269,35 4.218,36 6.14,37 4.127,38 4.824,39 5.021,40 4.134,41 4.136,42 5.863,43 4.037,44 4.763,45 4.936,46 4.206,47 4.054,48 6.106,49 3.994,50 4.683,51 4.852,52 4.041,53 4.014,54 5.812,55 3.925,56 0.122,57 0.754,58 9.453,59 5.12,60 18.305,61 5.236,62 0.442,63 1.261,64 19.743,65 8.754,66 53.156,67 9.245,68 0.558,69 1.545,70 26.989,71 11.644,72 65.842,73 12.373,74 0.741,75 1.609,76 34.503,77 12.853,78 93.423,79 13.747,80 0.751,81 1.511,82 32.972,83 12.599,84 99.624,85 15.203,86 0.485,87 1.364,88 35.174,89 11.662,90 59.356,91 14.244,92 0.77,93 1.295,94 27.15,95 10.012,96 98.43,97 11.503,98 0.525,99 1.251,100 26.915,101 10.031,102 59.475,103 10.555,104 27,105 55,106 0.289,107 0.634,108 0.784,109 0.878,110 0.892,111 0.892,112 3.532,113 1.017,114 -4.49,115 -4.42,116 -4.16,119 45.3,124 1,125 3,142 9,143 4,144 3,146 1,152 1,158 1,160 1,172 10,174 2,175 6,178 1,180 1,183 15,186 1,187 11,192 2,195 12,199 14,204 1,207 8,211 1,212 11,217 1,220 4,224 9,229 2,232 6,236 4,237 7,242 2,245 7,249 2,250 2,258 10,263 3,266 2,271 9,275 1838,276 21.936,277 21.936,278 21.936,279 21.936,280 21.936,281 18.993,282 17.157,283 12.46,284 22.633,285 18.25,286 18.25,287 18.25,288 18.25,289 18.25,290 13.635,291 19.725,292 5.892,293 19.427,294 3.948,295 1.831,296 0.906,297 0.33,298 0.241,299 0.241,300 4.237,301 1,305 1,306 905,307 3.742,310 79.312,311 271.081,312 96.122,314 134.607,316 153.363,318 2.013,319 44.627,322 1,323 0.83,324 1,325 0.6,326 0.5,327 1,328 1,329 0.85,330 71.833,331 410,332 4.811,333 5.18,334 7.12,335 4.21,336 3.333,337 4.673,338 2.95,339 11.708,340 3.026,341 4.477,342 3.738,343 6.583,344 4.056,345 3.087,346 4.392,347 1.23,348 10.311,349 2.966,350 4.36,351 3.208,352 6.339,353 3.974,354 3.005,355 3.969,356 0.86,357 9.735,358 2.804,359 4.261,360 2.991,361 6.172,362 3.815,363 2.85,364 3.896,365 0.521,366 9.168,367 2.731,368 3.875,369 2.95,370 5.923,371 3.506,372 2.541,373 3.314,375 8.306,376 2.448,377 3.631,378 2.6,379 5.615,380 3.248,381 2.325,382 2.895,384 7.263,385 2.116,386 3.072,387 2.525,388 4.7,389 2.624,390 1.669,391 2.302,393 4.925,394 1.596,395 3.035,396 2.279,397 4.52,398 2.599,399 1.644,400 2.263,402 4.567,403 1.546,404 2.998,405 2.077,406 4.413,407 2.499,408 1.534,409 2.205,411 4.263,412 1.478,413 2.921,414 1.585,415 4.314,416 2.461,417 1.497,418 2.058,420 3.969,421 1.444,422 2.805,423 1.535,424 4.231,425 2.38,426 1.452,427 1.898,428 3.763,429 1.264,430 2.552,431 1.513,432 3.698,433 2.082,434 1.116,435 1.574,436 2.639,437 1.068,438 2.453,439 1.23,440 3.439,441 1.976,442 1.033,443 1.374,445 2.373,446 0.97,447 2.131,448 1.045,449 3.384,450 1.748,451 0.756,452 0.993,454 1.891,455 0.736,456 1.904,457 0.835,458 3.045,459 1.373,460 0.422,461 0.621,463 1.036,464 0.4,465 16.081,466 0.487,467 1.052,468 0.032,469 46.75,470 1.417,471 25,472 0.758,473 21.75,474 0.659,475 27.197,476 0.824,477 34.319,478 0.648,479 38.097,480 1.154,481 9.054,482 0.274,483 6.738,484 0.204,485 0.138,486 0.052,487 0.336,493 0.593,494 1.218,495 0.672,496 1.052,497 0.606,498 0.84,499 0.816,500 0.978,501 0.847,502 0.92,503 0.572,504 0.82,505 1.118,506 1.041,507 0.948,508 0.967,509 1.011,510 0.991,511 1.138,512 1.075,513 0.932,514 1.022,515 1.179,516 1.136,517 0.755,518 0.936,519 0.802,520 0.887,521 0.852,522 0.988,523 0.81,524 1.023,525 1.169,526 1.091,527 0.644,528 1.074,529 0.857,530 0.947,531 0.871,532 0.877,533 0.591,534 0.928,535 1.111,536 0.969,537 1.176,538 1.097,539 0.97,540 1.054,541 8,542 0.234,543 4.889,544 2.507,545 2.125,546 1.201,547 0.801,548 0.581,549 0.408,550 0.35,551 16051,552 51628,553 2.105,554 37.7,556 18,558 1,559 1,564 1.752,565 1.951,566 3.605,567 -0.322,569 1,573 94.347,574 1.78,575 3.897,576 4.822,577 5.398,578 5.487,579 5.487,580 3.037,581 4.393,582 5.016,583 3.791,584 2001.49,585 8.782,586 29517.6,591 303.58,592 1.6,593 4.962,594 0.216,595 0.007,596 0.089,597 0.042,598 0.042,599 0.026,600 0.019,601 0.013,602 0.01,603 0.01,604 0.474,605 0.33,606 0.75,607 0.718,608 174.798,609 0.025,610 -0.117,611 0.12,612 -0.049,613 -0.108,614 0.024,615 0.036,616 0.1,617 -0.035,618 0.035,619 0.154,620 0.062,621 -0.149,622 -0.05,623 -0.11,624 -0.042,625 -0.091,626 -0.075,627 -0.113,628 -0.123,629 -0.057,630 -0.106,631 -0.119,632 -0.186,633 0.126,634 -0.026,635 0.11,636 0.019,637 0.064,638 0.032,639 -0.021,640 -0.106,641 -0.062,642 -0.133,643 -0.028,644 -0.033,645 0.196,646 0.022,647 0.068,648 0.034,649 0.268,650 0.032,651 -0.13,652 0.05,653 -0.167,654 -0.059,655 -0.091,656 -0.08,657 4.332,658 6.241,659 0.788,660 34.439,661 1.018,662 1.112,663 3.262,664 10.642,665 0.721,666 3.638,667 4.025,668 4.304,669 4.554,670 4.796,671 4.956,672 5.13,673 5.22,674 5.342,675 5.533,676 7.404,677 0.692,678 481.99,679 3.638,680 5.22,681 6.089,682 6.989,683 7.871,684 8.77,685 9.657,686 10.554,687 11.443,688 12.34,689 5.7,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,719 1,729 1,730 1,731 53,733 25,734 3,735 37,737 57,738 24,739 19,740 9,741 9,742 1,746 5,747 7,748 1,761 20,762 4,766 3,769 1,771 3,775 1,781 20,782 6,783 1,784 9,785 2,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 1,845 1,848 33,851 1,854 3,856 1,859 1,869 1,870 7.5,873 3,875 1,877 16.917,878 9.96,879 6.917,880 3,881 4.292,882 1.505,883 1.037,884 5.65,885 12.783,886 3.951,887 4.637,888 5.217,889 5.792,890 6.329,891 6.697,892 7.166,893 7.465,894 7.768,895 8.227,896 1,897 59,898 12.434,900 5.709,901 7.93,902 23.097,904 19.729,905 2.43,906 80.194,910 223.651,911 147.975,912 36.695,913 39.149,914 80.458,916 6.046,917 141.929,918 343.257,919 36.695,920 7.19,921 11.928,922 91.332,923 111.338,924 52.967,925 2.144,926 211.88,927 39.149,928 223.651,929 178.624,930 80.458,931 45.195,933 223.651,934 80.458,937 39.476,938 122.362,939 61.98,941 223.651,942 117.153,943 187.124,945 6.046,946 223.651,947 40.834,948 104.219,949 16.786,950 136.392,951 223.651,952 117.153,953 187.124,955 0.603,956 0.351,957 0.18,958 0.096,959 29,960 13,961 0.053,962 3,963 2,964 1.154,965 4.316,966 320.745,967 0.154,968 26,969 162.465,973 1,974 21.961,975 8.489,976 4.364,977 1.843,978 100.368,979 17.783,980 4.322,981 3.087,984 4.054,986 16.786,987 527.928,988 51,991 -3.415,993 36.801,997 -0.278,999 53.967,1000 58.933,1001 0.311,1002 0.68,1003 0.842,1004 0.942,1005 0.958,1006 0.958,1007 5.218,1008 1.644,1009 6.125,1010 4.925,1011 4.71,1012 5.325,1013 3.149,1014 6.993,1015 4.595,1016 6.479,1017 1.534,1018 7.731,1019 4.567,1020 4.511,1021 5.421,1022 0.325,1023 8.125,1024 4.281,1025 7.84,1026 1.497,1027 9.442,1028 4.263,1029 6.409,1030 7.674,1031 5.06,1032 11.155,1033 6.175,1034 9.239,1035 1.452,1036 11.215,1037 3.969,1038 6.995,1039 8.566,1040 0.74,1041 13.058,1042 6.639,1043 10.671,1044 1.116,1045 13.026,1046 3.763,1047 8.412,1048 10.346,1049 7.189,1050 15.654,1051 8.041,1052 12.125,1053 1.033,1054 14.863,1055 2.639,1056 9.326,1057 11.575,1058 1.168,1059 17.853,1060 8.84,1061 13.597,1062 0.756,1063 16.718,1064 2.373,1065 10.573,1066 13.183,1067 9.348,1068 20.317,1069 10.05,1070 3.333,1071 0.422,1072 18.587,1073 1.891,1074 11.625,1075 14.561,1076 1.605,1077 22.638,1078 10.998,1079 3.087,1080 11.708,1081 20.466,1082 1.036,1083 12.811,1084 16.104,1085 11.511,1086 25.065,1087 12.129,1088 3.005,1089 10.311,1090 22.355,1091 4.673,1092 13.924,1093 17.551,1094 2.049,1095 27.443,1096 13.146,1097 2.85,1098 9.735,1099 24.25,1100 4.392,1101 15.091,1102 19.071,1103 13.675,1104 29.864,1105 14.245,1106 2.541,1107 9.168,1108 26.152,1109 3.969,1110 16.233,1111 20.551,1112 2.494,1113 32.271,1114 15.294,1115 2.325,1116 8.306,1117 28.06,1118 3.896,1119 17.397,1120 22.065,1121 15.838,1122 34.697,1123 16.381,1124 1.669,1125 7.263,1126 29.972,1127 3.314,1128 18.554,1129 23.564,1130 2.938,1131 37.121,1132 17.447,1133 14933,1134 26961,1135 24.561,1136 38.193,1137 57.219,1138 59.929,1139 57.802,1140 56.802,1141 56.528,1142 76.854,1143 11.123,1144 171.834,1145 53.189,1146 5.733,1147 7.18,1148 6.647,1149 5.285,1150 5.333,1151 7.673,1152 5.9,1153 18.977,1154 5.026,1155 17.193,1156 1.546,1157 1.62,1158 1.562,1159 1.535,1160 1.528,1161 2.077,1162 0.301,1163 4.644,1164 1.438,1165 4.132,1166 4.162,1167 4.737,1168 4.104,1169 7.716,1170 4.049,1171 4.073,1172 4.056,1173 4.085,1174 4.024,1175 7.427,1176 3.991,1177 3.926,1178 3.95,1179 3.972,1180 3.816,1181 6.999,1182 3.823,1183 3.724,1184 3.718,1185 3.859,1186 3.658,1187 5.089,1188 3.598,1189 3.536,1190 3.575,1191 3.503,1192 3.372,1193 4.889,1194 3.375,1195 3.314,1196 3.371,1197 3.281,1198 3.156,1199 4.825,1200 3.167,1201 3.195,1202 3.246,1203 3.196,1204 2.986,1205 4.41,1206 2.988,1207 2.977,1208 3.016,1209 3.063,1210 2.825,1211 4.28,1212 2.829,1213 0.13,1214 0.14,1215 0.192,1216 0.114,1217 0.09,1218 4.811,1219 0.126,1220 5.18,1221 0.08,1222 7.12,1223 0.316,1224 4.21,1225 0.082,1226 3.333,1227 4.673,1228 2.95,1229 11.708,1230 3.026,1231 2.006,1232 1.999,1233 2.081,1234 2.076,1235 1.253,1236 2.083,1237 1.977,1238 1.982,1239 1.965,1240 2.029,1241 1.219,1242 2.065,1243 1.793,1244 1.769,1245 1.887,1246 1.9,1247 1.095,1248 1.902,1249 1.625,1250 1.628,1251 1.779,1252 1.825,1253 1.017,1254 1.832,1255 1.488,1256 1.448,1257 1.58,1258 1.658,1259 0.828,1260 1.693,1261 1.367,1262 1.288,1263 1.529,1264 1.645,1265 0.636,1266 1.625,1267 1.171,1268 1.122,1269 1.417,1270 1.382,1271 0.448,1272 1.392,1273 0.948,1274 0.903,1275 1.139,1276 1.149,1277 0.235,1278 1.15,1279 4.317,1281 5.687,1282 2.398,1283 7.236,1284 4.727,1285 8.865,1286 6.804,1287 10.534,1289 1.102,1290 6.282,1295 1.069,1297 5.884,1300 1.661,1305 36.679,1306 94.347,1307 206.547,1308 255.541,1309 286.07,1310 290.825,1311 290.825,1312 68.513,1313 8.491,1314 92.36,1315 100.74,1316 30,1317 12.865,1318 4.7,1319 3.907,1320 47.896,1321 148,1322 129,1323 0.158,1324 227.65,1325 391.2,1326 547.226,1327 64985,1328 1.9,1329 23.165,1330 0.702,1331 0.584,1332 23.915,1333 19.281,1334 15.792,1335 0.427,1336 0.339,1337 10.335,1338 14.187,1339 9.884,1340 8.109,1341 16.975,1342 12.545,1343 15.42,1344 0.28,1345 0.189,1346 17.178,1347 10.369,1348 12.812,1349 0.176,1350 0.097,1351 13.887,1352 7.104,1353 10.59,1354 0.113,1355 0.052,1356 11.525,1357 4.902,1358 8.529,1359 0.071,1360 0.029,1361 9.476,1362 3.51,1363 0.249,1364 110.839,1365 0.202,1366 30.621,1367 0.43,1368 184,1369 575.629,1370 248.148,1371 603.933,1372 808.29,1373 558,1374 220,1375 544.932,1376 286.266,1377 594.294,1378 867.34,1379 556,1380 6.152}
{0 CHEMBL2332929,1 1.78,2 12.424,3 3.938,4 15.508,5 128.963,6 9.933,7 0.595,8 4.099,9 4.179,10 4.025,11 3.755,12 5.205,13 3.714,14 4.642,15 4.763,16 4.38,17 4.16,18 5.928,19 4.117,20 4.908,21 5.047,22 4.524,23 4.34,24 6.105,25 4.274,26 4.984,27 5.146,28 4.634,29 4.326,30 6.178,31 4.23,32 4.933,33 5.13,34 4.529,35 4.249,36 6.08,37 4.142,38 4.818,39 5.014,40 4.276,41 4.172,42 5.822,43 4.05,44 4.759,45 4.932,46 4.382,47 4.081,48 6.078,49 4.006,50 4.68,51 4.849,52 4.168,53 4.035,54 5.792,55 3.933,56 0.114,57 0.746,58 7.532,59 5.127,60 17.622,61 5.21,62 0.425,63 1.259,64 18.317,65 8.911,66 52.255,67 9.255,68 0.521,69 1.548,70 28.183,71 12.122,72 62.246,73 12.507,74 0.658,75 1.623,76 44.076,77 13.767,78 82.11,79 13.884,80 0.657,81 1.527,82 39.452,83 13.471,84 81.444,85 15.425,86 0.409,87 1.383,88 54.855,89 13.16,90 48.204,91 14.921,92 0.707,93 1.308,94 33.815,95 10.773,96 93.08,97 11.74,98 0.496,99 1.26,100 29.112,101 10.473,102 56.292,103 10.684,104 27,105 55,106 0.289,107 0.634,108 0.784,109 0.878,110 0.892,111 0.892,112 3.532,113 1.051,114 -4.59,115 -4.52,116 -4.25,117 1,119 45.3,124 1,125 3,142 9,143 4,144 3,146 1,152 1,158 1,160 1,172 10,174 2,175 6,178 1,180 1,183 15,186 1,187 11,192 2,195 12,199 14,204 1,207 8,211 1,212 11,217 1,220 4,224 9,229 2,232 6,236 4,237 7,242 2,245 7,249 2,250 2,258 10,263 3,266 2,271 9,275 1838,276 21.936,277 21.936,278 21.936,279 21.936,280 21.936,281 18.993,282 17.2,283 12.46,284 22.655,285 18.25,286 18.25,287 18.25,288 18.25,289 18.25,290 13.635,291 19.785,292 5.892,293 19.473,294 3.948,295 1.831,296 0.906,297 0.33,298 0.241,299 0.241,300 4.237,305 1,306 905,307 3.742,310 79.312,311 271.081,312 96.122,314 134.607,316 153.363,318 2.013,319 41.944,322 0.75,323 0.83,324 0.83,325 0.5,326 0.5,327 0.83,328 1,329 0.75,330 71.25,331 410,332 4.811,333 5.18,334 7.12,335 4.209,336 3.333,337 4.673,338 2.95,339 11.708,340 3.023,341 4.477,342 3.737,343 6.583,344 4.056,345 3.087,346 4.392,347 1.23,348 10.311,349 2.96,350 4.36,351 3.207,352 6.339,353 3.972,354 3.005,355 3.969,356 0.86,357 9.735,358 2.804,359 4.261,360 2.982,361 6.172,362 3.814,363 2.85,364 3.896,365 0.521,366 9.168,367 2.73,368 3.875,369 2.936,370 5.923,371 3.505,372 2.541,373 3.314,375 8.306,376 2.447,377 3.631,378 2.6,379 5.615,380 3.243,381 2.325,382 2.895,384 7.263,385 2.099,386 3.072,387 2.517,388 4.7,389 2.624,390 1.669,391 2.302,393 4.925,394 1.595,395 3.035,396 2.277,397 4.52,398 2.599,399 1.644,400 2.263,402 4.567,403 1.546,404 2.998,405 2.077,406 4.413,407 2.499,408 1.534,409 2.205,411 4.263,412 1.478,413 2.921,414 1.573,415 4.314,416 2.46,417 1.497,418 2.058,420 3.969,421 1.444,422 2.805,423 1.535,424 4.231,425 2.369,426 1.452,427 1.898,428 3.763,429 1.215,430 2.552,431 1.513,432 3.698,433 2.082,434 1.116,435 1.574,436 2.639,437 1.067,438 2.453,439 1.23,440 3.439,441 1.976,442 1.033,443 1.374,445 2.373,446 0.97,447 2.131,448 1.045,449 3.384,450 1.747,451 0.756,452 0.993,454 1.891,455 0.734,456 1.904,457 0.835,458 3.045,459 1.373,460 0.422,461 0.621,463 1.036,464 0.4,465 16.7,466 0.506,467 1.052,468 0.032,469 46.5,470 1.409,471 25,472 0.758,473 21.5,474 0.652,475 29.207,476 0.885,477 33.7,478 0.636,479 36.087,480 1.094,481 8.783,482 0.266,483 7.009,484 0.212,485 0.17,486 0.05,487 0.323,493 0.599,494 1.2,495 0.531,496 0.962,497 0.61,498 0.82,499 0.831,500 0.958,501 0.645,502 0.852,503 0.573,504 0.802,505 1.129,506 1.026,507 0.867,508 0.933,509 1.013,510 0.98,511 1.176,512 1.079,513 0.868,514 0.997,515 1.207,516 1.124,517 0.76,518 0.934,519 0.977,520 0.919,521 0.885,522 0.986,523 0.701,524 1.056,525 1.751,526 1.25,527 0.552,528 1.13,529 0.847,530 0.953,531 1.063,532 0.927,533 0.565,534 0.938,535 1.125,536 0.958,537 0.941,538 1.049,539 0.972,540 1.042,541 8,542 0.234,543 4.889,544 2.507,545 2.125,546 1.201,547 0.801,548 0.581,549 0.408,550 0.35,551 16051,552 51628,553 2.105,554 37.7,556 18,558 1,559 1,564 1.752,565 1.951,566 3.605,567 -0.322,573 94.347,574 1.78,575 3.897,576 4.822,577 5.398,578 5.487,579 5.487,580 3.037,581 4.393,582 5.016,583 3.791,584 2001.49,585 8.782,586 29517.6,591 303.58,592 1.6,593 4.962,594 0.216,595 0.007,596 0.089,597 0.042,598 0.042,599 0.026,600 0.019,601 0.013,602 0.01,603 0.01,604 0.474,605 0.33,606 0.75,607 0.718,608 174.798,609 0.03,610 -0.115,611 0.04,612 -0.045,613 -0.111,614 0.022,615 0.043,616 0.112,617 -0.012,618 0.042,619 0.161,620 0.065,621 -0.148,622 -0.039,623 -0.055,624 -0.028,625 -0.087,626 -0.069,627 -0.145,628 -0.129,629 0.039,630 -0.08,631 -0.14,632 -0.176,633 0.1,634 -0.023,635 0.082,636 0.018,637 0.019,638 0.039,639 0.012,640 -0.137,641 -0.171,642 -0.181,643 0.005,644 -0.063,645 0.2,646 0.018,647 0.011,648 0.016,649 0.28,650 0.028,651 -0.128,652 0.059,653 -0.082,654 -0.046,655 -0.089,656 -0.076,657 4.278,658 6.295,659 0.788,660 34.439,661 1.016,662 1.11,663 3.365,664 11.322,665 0.73,666 3.638,667 4.025,668 4.304,669 4.554,670 4.796,671 4.956,672 5.13,673 5.22,674 5.342,675 5.533,676 7.404,677 0.696,678 526.44,679 3.638,680 5.22,681 6.089,682 6.989,683 7.871,684 8.77,685 9.657,686 10.554,687 11.443,688 12.34,689 5.7,696 1,697 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,719 1,729 1,730 1,731 53,733 25,734 3,735 37,736 1,737 57,738 24,739 19,740 9,741 9,742 1,746 5,747 7,761 20,762 4,766 3,769 1,771 3,775 1,781 20,782 6,783 1,784 9,785 2,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,843 1,844 1,848 33,851 1,854 3,856 1,859 1,869 1,870 7.5,873 3,875 1,877 16.917,878 9.96,879 6.917,880 3,881 4.292,882 1.505,883 1.041,884 5.772,885 12.783,886 3.951,887 4.637,888 5.217,889 5.792,890 6.329,891 6.697,892 7.166,893 7.465,894 7.768,895 8.227,896 1,897 59,898 12.425,900 5.67,901 7.889,902 23.206,904 19.814,905 2.389,906 78.833,910 223.651,911 147.529,912 82.649,914 80.458,916 6.046,917 187.438,918 304.109,919 36.695,920 7.19,921 11.928,922 91.332,923 111.338,924 52.521,925 2.144,926 211.88,927 45.954,928 223.651,929 178.179,930 80.458,931 6.046,932 45.954,933 223.651,934 80.458,937 39.476,938 121.917,939 22.831,940 45.954,941 223.651,942 117.153,943 193.484,945 6.046,946 223.651,947 40.388,948 104.219,949 62.74,950 97.243,951 223.651,952 117.153,953 193.484,955 0.603,956 0.351,957 0.18,958 0.096,959 29,960 13,961 0.053,962 3,963 2,964 1.154,965 4.316,966 320.745,967 0.154,968 26,969 164.465,973 1,974 22.146,975 8.601,976 4.432,977 1.86,978 100.368,979 18.164,980 4.33,981 3.094,984 4.71,986 16.786,987 534.288,988 51,991 -3.361,993 36.931,997 -0.193,999 53.873,1000 58.831,1001 0.311,1002 0.68,1003 0.842,1004 0.942,1005 0.958,1006 0.958,1007 5.218,1008 1.644,1009 6.125,1010 4.925,1011 4.71,1012 5.325,1013 3.149,1014 6.993,1015 4.59,1016 6.479,1017 1.534,1018 7.731,1019 4.567,1020 4.511,1021 5.421,1022 0.325,1023 8.125,1024 4.273,1025 7.84,1026 1.497,1027 9.442,1028 4.263,1029 6.409,1030 7.674,1031 5.06,1032 11.155,1033 6.17,1034 9.239,1035 1.452,1036 11.215,1037 3.969,1038 6.995,1039 8.566,1040 0.74,1041 13.058,1042 6.63,1043 10.671,1044 1.116,1045 13.026,1046 3.763,1047 8.412,1048 10.346,1049 7.189,1050 15.654,1051 8.034,1052 12.125,1053 1.033,1054 14.863,1055 2.639,1056 9.326,1057 11.575,1058 1.168,1059 17.853,1060 8.83,1061 13.597,1062 0.756,1063 16.718,1064 2.373,1065 10.573,1066 13.183,1067 9.348,1068 20.317,1069 10.041,1070 3.333,1071 0.422,1072 18.587,1073 1.891,1074 11.625,1075 14.561,1076 1.605,1077 22.638,1078 10.987,1079 3.087,1080 11.708,1081 20.466,1082 1.036,1083 12.811,1084 16.104,1085 11.511,1086 25.065,1087 12.117,1088 3.005,1089 10.311,1090 22.355,1091 4.673,1092 13.924,1093 17.551,1094 2.049,1095 27.443,1096 13.132,1097 2.85,1098 9.735,1099 24.25,1100 4.392,1101 15.091,1102 19.071,1103 13.675,1104 29.864,1105 14.231,1106 2.541,1107 9.168,1108 26.152,1109 3.969,1110 16.233,1111 20.551,1112 2.494,1113 32.271,1114 15.278,1115 2.325,1116 8.306,1117 28.06,1118 3.896,1119 17.397,1120 22.065,1121 15.838,1122 34.697,1123 16.364,1124 1.669,1125 7.263,1126 29.972,1127 3.314,1128 18.554,1129 23.564,1130 2.938,1131 37.121,1132 17.429,1133 14933,1134 26961,1135 24.561,1136 38.688,1137 57.219,1138 59.871,1139 57.802,1140 56.841,1141 56.528,1142 76.854,1143 11.123,1144 171.834,1145 53.022,1146 5.733,1147 7.18,1148 6.647,1149 5.284,1150 5.333,1151 7.673,1152 5.9,1153 18.977,1154 5.023,1155 17.193,1156 1.546,1157 1.618,1158 1.562,1159 1.536,1160 1.528,1161 2.077,1162 0.301,1163 4.644,1164 1.433,1165 4.132,1166 4.162,1167 6.88,1168 4.109,1169 7.716,1170 4.05,1171 4.072,1172 4.055,1173 4.732,1174 4.024,1175 7.427,1176 3.993,1177 3.926,1178 3.95,1179 4.082,1180 3.816,1181 6.999,1182 3.823,1183 3.723,1184 3.718,1185 3.886,1186 3.673,1187 5.088,1188 3.601,1189 3.535,1190 3.574,1191 3.699,1192 3.375,1193 4.831,1194 3.376,1195 3.314,1196 3.371,1197 3.436,1198 3.157,1199 4.651,1200 3.167,1201 3.195,1202 3.246,1203 3.232,1204 2.986,1205 4.409,1206 2.989,1207 2.977,1208 3.016,1209 3.067,1210 2.863,1211 4.148,1212 2.829,1213 0.13,1214 0.14,1215 0.192,1216 0.114,1217 0.09,1218 4.811,1219 0.126,1220 5.18,1221 0.08,1222 7.12,1223 0.316,1224 4.209,1225 0.082,1226 3.333,1227 4.673,1228 2.95,1229 11.708,1230 3.023,1231 2.006,1232 2,1233 2.081,1234 2.075,1235 1.254,1236 2.082,1237 1.978,1238 1.983,1239 1.956,1240 2.026,1241 1.224,1242 2.065,1243 1.793,1244 1.769,1245 1.886,1246 1.9,1247 1.095,1248 1.902,1249 1.626,1250 1.629,1251 1.779,1252 1.825,1253 1.017,1254 1.831,1255 1.488,1256 1.449,1257 1.578,1258 1.657,1259 0.834,1260 1.691,1261 1.367,1262 1.288,1263 1.529,1264 1.642,1265 0.636,1266 1.625,1267 1.171,1268 1.122,1269 1.417,1270 1.382,1271 0.448,1272 1.392,1273 0.948,1274 0.903,1275 1.139,1276 1.149,1277 0.235,1278 1.15,1279 4.317,1281 5.687,1282 2.398,1283 7.236,1284 4.727,1285 8.865,1286 6.804,1287 10.534,1288 3.365,1289 1.14,1295 1.172,1297 5.905,1300 1.715,1305 36.877,1306 94.347,1307 206.547,1308 255.541,1309 286.07,1310 290.825,1311 290.825,1312 66.267,1313 8.491,1314 92.36,1315 100.74,1316 30,1317 12.865,1318 4.7,1319 3.907,1320 47.896,1321 148,1322 129,1323 0.158,1324 231.231,1325 395.27,1326 555.963,1327 64985,1328 1.9,1329 23.165,1330 0.702,1331 0.609,1332 24.415,1333 20.111,1334 15.792,1335 0.427,1336 0.35,1337 10.353,1338 13.937,1339 9.884,1340 8.109,1341 17.264,1342 12.96,1343 15.42,1344 0.28,1345 0.197,1346 17.549,1347 10.816,1348 12.812,1349 0.176,1350 0.102,1351 14.219,1352 7.448,1353 10.59,1354 0.113,1355 0.056,1356 11.932,1357 5.276,1358 8.529,1359 0.071,1360 0.033,1361 9.926,1362 3.916,1363 0.249,1364 116.035,1365 0.202,1366 30.621,1367 0.43,1368 184,1369 568.08,1370 298.499,1371 603.933,1372 808.29,1373 558,1374 220,1375 541.802,1376 308.472,1377 594.294,1378 867.34,1379 556,1380 6.159}
{0 CHEMBL2333362,1 1.755,2 12.471,3 3.881,4 15.064,5 126.598,6 8.564,7 0.579,8 4.15,9 4.237,10 3.952,11 3.763,12 5.284,13 3.735,14 4.7,15 4.834,16 4.274,17 4.16,18 5.996,19 4.136,20 4.959,21 5.1,22 4.428,23 4.334,24 6.2,25 4.304,26 5.082,27 5.248,28 4.349,29 4.333,30 6.481,31 4.28,32 5.052,33 5.255,34 4.19,35 4.268,36 6.311,37 4.184,38 4.955,39 5.163,40 4.124,41 4.193,42 6.013,43 4.107,44 4.962,45 5.185,46 4.165,47 4.127,48 6.228,49 4.064,50 4.826,51 5.009,52 4.076,53 4.065,54 6.027,55 3.993,56 0.13,57 0.88,58 11.209,59 5.672,60 20.063,61 5.899,62 0.471,63 1.449,64 22.322,65 9.521,66 59.223,67 10.377,68 0.581,69 1.858,70 28.064,71 12.279,72 75.762,73 13.107,74 0.99,75 2.083,76 33.011,77 13.805,78 159.495,79 14.872,80 0.995,81 1.93,82 37.214,83 14.008,84 142.292,85 16.334,86 0.544,87 1.674,88 31.323,89 12.583,90 85.551,91 15.685,92 0.915,93 1.749,94 33.819,95 12.421,96 134.017,97 15.117,98 0.797,99 1.57,100 30.925,101 11.308,102 88.84,103 12.104,104 38,105 57,106 0.283,107 0.635,108 0.796,109 0.871,110 0.885,111 0.885,112 3.561,113 0.994,114 -4.59,115 -4.52,116 -4.25,119 44.6,120 1,124 1,125 3,142 8,143 5,144 3,146 1,152 1,158 1,160 1,172 12,174 2,175 6,178 1,180 1,183 13,186 1,187 11,192 2,195 12,199 14,204 1,207 8,211 1,212 11,217 1,220 5,224 10,229 2,232 6,236 4,237 6,242 2,245 8,249 2,250 2,258 10,263 3,266 2,271 9,275 1990,276 22.488,277 22.488,278 22.488,279 22.488,280 22.488,281 19.465,282 17.335,283 12.676,284 23.106,285 18.701,286 18.701,287 18.701,288 18.701,289 18.701,290 14.002,291 19.877,292 5.962,293 19.742,294 4.053,295 1.863,296 0.862,297 0.398,298 0.313,299 0.313,300 4.263,304 1,305 1,306 932,307 3.808,310 82.398,311 281.695,312 99.522,314 139.863,316 159.168,318 2,319 53.909,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 75,331 424,332 4.864,333 5.194,334 7.276,335 4.307,336 3.412,337 4.731,338 2.95,339 12.338,340 3.133,341 4.478,342 3.736,343 6.646,344 4.058,345 3.09,346 4.392,347 1.23,348 10.465,349 3.001,350 4.394,351 3.238,352 6.343,353 3.984,354 3.012,355 4.007,356 0.86,357 9.753,358 2.827,359 4.274,360 3.154,361 6.184,362 3.826,363 2.861,364 3.953,365 0.521,366 9.2,367 2.742,368 3.897,369 2.968,370 5.965,371 3.535,372 2.574,373 3.319,375 8.367,376 2.468,377 3.773,378 2.602,379 5.868,380 3.384,381 2.429,382 3.097,384 7.911,385 2.297,386 3.177,387 2.436,388 5.215,389 2.827,390 1.882,391 2.341,393 5.937,394 1.763,395 3.035,396 2.277,397 4.547,398 2.601,399 1.668,400 2.301,402 4.582,403 1.547,404 2.998,405 2.084,406 4.495,407 2.5,408 1.534,409 2.21,411 4.276,412 1.481,413 2.958,414 1.966,415 4.384,416 2.487,417 1.501,418 2.136,420 4.081,421 1.474,422 2.885,423 1.535,424 4.258,425 2.461,426 1.478,427 2.009,428 3.904,429 1.451,430 2.558,431 1.513,432 3.845,433 2.156,434 1.178,435 1.577,436 2.792,437 1.137,438 2.489,439 1.278,440 3.441,441 1.981,442 1.043,443 1.418,445 2.378,446 0.974,447 2.135,448 1.23,449 3.397,450 1.781,451 0.802,452 1.014,454 1.983,455 0.774,456 1.904,457 1.045,458 3.092,459 1.373,460 0.423,461 0.621,463 1.037,464 0.401,465 16.152,466 0.475,467 1.125,468 0.033,469 47.25,470 1.39,471 25,472 0.735,473 22.25,474 0.654,475 29.128,476 0.857,477 36.048,478 0.644,479 40.241,480 1.184,481 9.257,482 0.272,483 6.962,484 0.205,485 0.142,486 0.052,487 0.365,491 1,493 0.571,494 1.113,495 0.755,496 1.119,497 0.579,498 0.89,499 0.759,500 0.915,501 0.91,502 0.945,503 0.564,504 0.813,505 1.04,506 1.099,507 0.895,508 1.026,509 0.983,510 0.997,511 1.22,512 1.189,513 1.057,514 1.06,515 1.17,516 1.156,517 0.942,518 0.898,519 1.046,520 0.979,521 1.028,522 1.048,523 0.732,524 0.967,525 0.792,526 1.012,527 0.771,528 1.073,529 0.915,530 0.906,531 0.744,532 0.77,533 0.743,534 0.835,535 1.147,536 0.971,537 1.245,538 1.065,539 0.995,540 1.035,541 8,542 0.279,543 5.333,544 3.069,545 2.316,546 1.312,547 0.842,548 0.634,549 0.464,550 0.369,551 17040,552 53637,553 2.084,554 39.3,555 3,556 17,558 1,559 1,564 1.76,565 1.915,566 3.614,567 -0.334,569 1,573 98.253,574 1.755,575 3.945,576 4.945,577 5.41,578 5.495,579 5.495,580 3.044,581 4.69,582 5.06,583 3.796,584 2129.32,585 8.872,586 31904.1,591 325.212,592 1.642,593 4.997,594 0.211,595 0.008,596 0.094,597 0.049,598 0.041,599 0.027,600 0.019,601 0.013,602 0.011,603 0.01,604 0.482,605 0.33,606 0.75,607 0.741,608 181.404,609 0.02,610 -0.093,611 0.163,612 -0.041,613 -0.087,614 0.027,615 0.038,616 0.07,617 0.006,618 0.056,619 0.118,620 0.111,621 -0.099,622 -0.118,623 -0.046,624 -0.078,625 -0.089,626 -0.072,627 -0.065,628 -0.089,629 -0.191,630 -0.134,631 0.019,632 -0.22,633 0.026,634 0.081,635 -0.101,636 -0.02,637 0.005,638 -0.049,639 -0.004,640 -0.144,641 0.057,642 -0.097,643 -0.052,644 -0.051,645 0.096,646 0.075,647 0.176,648 0.143,649 0.145,650 0.172,651 -0.059,652 0.061,653 -0.168,654 -0.028,655 -0.06,656 -0.06,657 4.653,658 6.751,659 0.765,660 35.298,661 1.019,662 1.12,663 3.365,664 11.322,665 0.697,666 3.664,667 4.06,668 4.357,669 4.615,670 4.828,671 4.99,672 5.165,673 5.263,674 5.371,675 5.568,676 7.446,677 0.674,678 479.57,679 3.664,680 5.252,681 6.129,682 7.036,683 7.924,684 8.83,685 9.723,686 10.628,687 11.522,688 12.427,689 5.4,696 1,697 1,699 1,703 2,704 9,705 1,706 1,709 8,711 22,719 1,729 1,730 1,731 56,733 25,734 3,735 38,737 60,738 25,739 19,740 10,741 8,742 1,746 5,747 7,752 1,761 20,762 5,766 3,769 1,771 3,775 1,779 1,781 22,782 7,783 1,784 9,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 2,846 1,848 34,851 1,854 3,856 1,859 1,869 1,870 7.1,873 3,875 1,877 17.75,878 10.876,879 7.139,880 3.208,881 4.297,882 1.502,883 1.033,884 5.668,885 12.852,886 3.97,887 4.666,888 5.257,889 5.841,890 6.359,891 6.727,892 7.193,893 7.497,894 7.779,895 8.241,896 1,897 63,898 12.953,900 6.073,901 8.022,902 23.732,904 20.273,905 2.522,906 85.75,910 247.193,911 156.13,912 36.695,914 80.458,915 14.96,916 6.046,917 150.084,918 327.651,919 51.655,920 16.016,921 11.928,922 81.856,923 111.338,924 61.773,925 17.104,926 235.422,928 247.193,929 186.779,930 95.418,931 6.046,933 262.153,934 80.458,937 48.302,938 121.692,939 22.831,941 262.153,942 117.153,943 156.13,945 6.046,946 247.193,947 49.64,948 103.568,949 16.786,950 112.203,951 247.193,952 132.113,953 156.13,955 0.606,956 0.36,957 0.187,958 0.095,959 30,960 14,961 0.05,962 3,963 2,964 1.154,965 4.335,966 336.861,967 0.154,968 26,969 170.974,973 1,974 22.578,975 8.535,976 4.231,977 1.804,978 115.328,979 15.961,980 4.311,981 3.075,984 2.306,986 16.786,987 535.436,988 52,991 -3.737,993 36.95,997 -0.378,999 57.04,1000 62.744,1001 0.302,1002 0.679,1003 0.852,1004 0.932,1005 0.946,1006 0.946,1007 5.244,1008 1.668,1009 6.172,1010 5.937,1011 4.745,1012 5.354,1013 3.149,1014 7.059,1015 4.646,1016 6.512,1017 1.534,1018 7.791,1019 4.582,1020 4.575,1021 5.479,1022 0.325,1023 8.219,1024 4.384,1025 7.879,1026 1.501,1027 9.516,1028 4.276,1029 6.46,1030 7.715,1031 5.06,1032 11.279,1033 6.252,1034 9.286,1035 1.478,1036 11.302,1037 4.081,1038 7.074,1039 8.631,1040 0.74,1041 13.21,1042 6.763,1043 10.724,1044 1.178,1045 13.126,1046 3.904,1047 8.485,1048 10.401,1049 7.189,1050 15.852,1051 8.151,1052 12.185,1053 1.043,1054 14.976,1055 2.792,1056 9.424,1057 11.649,1058 1.168,1059 18.087,1060 8.99,1061 13.663,1062 0.802,1063 16.845,1064 2.378,1065 10.673,1066 13.255,1067 9.348,1068 20.605,1069 10.2,1070 3.412,1071 0.423,1072 18.728,1073 1.983,1074 11.749,1075 14.647,1076 1.605,1077 22.974,1078 11.183,1079 3.09,1080 12.338,1081 20.623,1082 1.037,1083 12.945,1084 16.194,1085 11.511,1086 25.46,1087 12.324,1088 3.012,1089 10.465,1090 22.527,1091 4.731,1092 14.081,1093 17.653,1094 2.049,1095 27.892,1096 13.372,1097 2.861,1098 9.753,1099 24.44,1100 4.392,1101 15.265,1102 19.18,1103 13.675,1104 30.375,1105 14.489,1106 2.574,1107 9.2,1108 26.361,1109 4.007,1110 16.429,1111 20.673,1112 2.494,1113 32.84,1114 15.569,1115 2.429,1116 8.367,1117 28.288,1118 3.953,1119 17.614,1120 22.195,1121 15.838,1122 35.328,1123 16.679,1124 1.882,1125 7.911,1126 30.22,1127 3.319,1128 18.794,1129 23.706,1130 2.938,1131 37.811,1132 17.774,1133 15911,1134 28401,1135 24.967,1136 39.034,1137 58.582,1138 62.078,1139 59.998,1140 58.174,1141 58.074,1142 78.597,1143 11.123,1144 178.715,1145 55.204,1146 5.786,1147 7.194,1148 6.803,1149 5.382,1150 5.412,1151 7.731,1152 5.9,1153 20.259,1154 5.133,1155 19.008,1156 1.542,1157 1.634,1158 1.579,1159 1.531,1160 1.528,1161 2.068,1162 0.293,1163 4.703,1164 1.453,1165 4.136,1166 4.164,1167 4.737,1168 4.107,1169 8.201,1170 4.053,1171 4.082,1172 4.072,1173 4.083,1174 4.024,1175 7.715,1176 3.999,1177 3.926,1178 3.951,1179 3.902,1180 3.816,1181 7.427,1182 3.823,1183 3.741,1184 3.731,1185 3.804,1186 3.675,1187 6.999,1188 3.613,1189 3.55,1190 3.597,1191 3.473,1192 3.376,1193 5.088,1194 3.383,1195 3.317,1196 3.373,1197 3.245,1198 3.157,1199 4.83,1200 3.169,1201 3.209,1202 3.263,1203 3.083,1204 2.999,1205 4.544,1206 2.999,1207 3.131,1208 3.212,1209 2.947,1210 2.976,1211 4.409,1212 2.958,1213 0.128,1214 0.137,1215 0.191,1216 0.113,1217 0.09,1218 4.864,1219 0.125,1220 5.194,1221 0.078,1222 7.276,1223 0.325,1224 4.307,1225 0.082,1226 3.412,1227 4.731,1228 2.95,1229 12.338,1230 3.133,1231 2.007,1232 2.007,1233 2.081,1234 2.079,1235 1.263,1236 2.09,1237 1.988,1238 1.983,1239 2.003,1240 2.052,1241 1.236,1242 2.071,1243 1.793,1244 1.769,1245 1.888,1246 1.901,1247 1.094,1248 1.902,1249 1.637,1250 1.645,1251 1.781,1252 1.825,1253 1.017,1254 1.837,1255 1.511,1256 1.462,1257 1.612,1258 1.688,1259 0.895,1260 1.734,1261 1.367,1262 1.288,1263 1.53,1264 1.654,1265 0.639,1266 1.625,1267 1.183,1268 1.127,1269 1.509,1270 1.407,1271 0.57,1272 1.44,1273 1.159,1274 1.088,1275 1.416,1276 1.364,1277 0.448,1278 1.388,1279 4.344,1281 5.72,1282 2.398,1283 7.28,1284 4.727,1285 8.922,1286 6.804,1287 10.608,1289 2.361,1291 14.751,1295 0.888,1297 5.867,1300 1.592,1305 37.762,1306 98.253,1307 220.908,1308 276.947,1309 302.947,1310 307.702,1311 307.702,1312 81.6,1313 8.554,1314 92.36,1315 100.74,1316 30,1317 12.948,1318 4.7,1319 3.907,1320 50.049,1321 153,1322 138,1323 0.159,1324 230.108,1325 399.36,1326 553.223,1327 69826,1328 1.8,1329 24.035,1330 0.707,1331 0.572,1332 23.415,1333 19.448,1334 16.219,1335 0.427,1336 0.331,1337 10.702,1338 14.822,1339 10.238,1340 8.427,1341 16.686,1342 12.59,1343 15.835,1344 0.278,1345 0.181,1346 16.808,1347 10.339,1348 13.414,1349 0.174,1350 0.093,1351 13.555,1352 7.177,1353 11.221,1354 0.112,1355 0.05,1356 11.118,1357 5.001,1358 8.616,1359 0.069,1360 0.027,1361 9.025,1362 3.376,1363 0.251,1364 111.094,1365 0.2,1366 31.292,1367 0.435,1368 190,1369 643.537,1370 242.459,1371 612.411,1372 821.96,1373 566,1374 229,1375 573.402,1376 290.272,1377 607.555,1378 889.35,1379 568,1380 5.63}
{0 CHEMBL2333363,1 1.73,2 12.514,3 4.338,4 18.814,5 131.199,6 8.366,7 0.564,8 4.194,9 4.285,10 3.975,11 3.803,12 5.31,13 3.771,14 4.75,15 4.89,16 4.293,17 4.201,18 6.019,19 4.17,20 5.016,21 5.17,22 4.453,23 4.376,24 6.215,25 4.34,26 5.118,27 5.28,28 4.408,29 4.388,30 6.506,31 4.337,32 5.132,33 5.332,34 4.289,35 4.353,36 6.386,37 4.268,38 5.061,39 5.266,40 4.229,41 4.298,42 6.136,43 4.209,44 5.088,45 5.3,46 4.223,47 4.245,48 6.35,49 4.17,50 5.006,51 5.228,52 4.14,53 4.183,54 6.113,55 4.089,56 0.12,57 0.921,58 12.323,59 6.032,60 20.139,61 6.479,62 0.456,63 1.517,64 24.158,65 10.153,66 59.7,67 11.421,68 0.574,69 1.947,70 31.597,71 13.199,72 79.017,73 14.725,74 0.92,75 2.172,76 34.454,77 14.381,78 155.005,79 15.857,80 1.023,81 2.153,82 39.632,83 15.16,84 154.423,85 17.591,86 0.59,87 1.867,88 38.198,89 14.291,90 92.645,91 17.369,92 1.005,93 1.936,94 37.609,95 13.93,96 158.308,97 16.696,98 0.854,99 1.804,100 39.541,101 13.876,102 101.6,103 16.348,104 41,105 58,106 0.276,107 0.629,108 0.803,109 0.873,110 0.886,111 0.886,112 3.589,113 1.012,114 -4.8,115 -4.71,116 -4.42,119 44.1,120 1,121 1,124 1,125 3,142 8,143 5,144 3,146 1,152 1,158 1,160 1,172 13,174 2,175 6,178 1,180 1,183 14,186 1,187 11,192 2,195 13,199 14,204 1,207 9,211 1,212 13,217 1,220 6,224 12,229 2,232 6,236 4,237 6,242 2,245 9,249 2,250 3,258 11,263 3,266 2,271 11,275 2164,276 23.358,277 23.358,278 23.358,279 23.358,280 23.358,281 20.387,282 18.548,283 13.212,284 23.976,285 19.149,286 19.149,287 19.149,288 19.149,289 19.149,290 14.433,291 19.877,292 6.117,293 20.187,294 4.153,295 1.942,296 0.852,297 0.411,298 0.331,299 0.331,300 4.291,305 1,306 959,307 3.937,310 85.221,311 291.929,312 102.458,314 144.653,316 164.225,318 1.985,319 55.316,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 77,331 438,332 4.866,333 5.194,334 7.282,335 4.316,336 3.417,337 4.733,338 2.95,339 12.392,340 3.152,341 4.478,342 3.74,343 6.688,344 4.06,345 3.095,346 4.392,347 1.23,348 10.653,349 3.002,350 4.407,351 3.255,352 6.346,353 3.991,354 3.019,355 4.021,356 0.86,357 9.766,358 2.827,359 4.277,360 3.163,361 6.19,362 3.831,363 2.867,364 3.956,365 0.521,366 9.224,367 2.744,368 3.901,369 2.968,370 5.994,371 3.547,372 2.587,373 3.319,375 8.431,376 2.476,377 3.78,378 2.602,379 5.884,380 3.4,381 2.441,382 3.102,384 8.039,385 2.323,386 3.184,387 2.48,388 5.217,389 2.827,390 1.882,391 2.35,393 5.94,394 1.764,395 3.035,396 2.284,397 4.622,398 2.602,399 1.668,400 2.302,402 4.595,403 1.56,404 3.007,405 2.084,406 4.512,407 2.574,408 1.586,409 2.217,411 4.392,412 1.547,413 2.992,414 1.984,415 4.388,416 2.499,417 1.534,418 2.176,420 4.224,421 1.479,422 2.885,423 1.535,424 4.258,425 2.463,426 1.479,427 2.009,428 3.914,429 1.452,430 2.56,431 1.513,432 3.857,433 2.168,434 1.19,435 1.578,436 2.814,437 1.149,438 2.497,439 1.457,440 3.443,441 1.983,442 1.046,443 1.432,445 2.38,446 0.976,447 2.142,448 1.23,449 3.413,450 1.828,451 0.866,452 1.044,454 2.045,455 0.823,456 1.904,457 1.045,458 3.255,459 1.556,460 0.562,461 0.671,463 1.095,464 0.55,465 16.652,466 0.476,467 1.087,468 0.031,469 47.75,470 1.364,471 25,472 0.714,473 22.75,474 0.65,475 31.335,476 0.895,477 37.348,478 0.633,479 41.108,480 1.175,481 9.199,482 0.263,483 7.558,484 0.216,485 0.137,486 0.05,487 0.354,491 1,493 0.569,494 1.125,495 0.765,496 1.128,497 0.576,498 0.909,499 0.75,500 0.933,501 0.913,502 0.964,503 0.559,504 0.841,505 1.014,506 1.061,507 0.853,508 0.978,509 0.97,510 0.94,511 1.209,512 1.23,513 1.028,514 1.073,515 1.162,516 1.141,517 1.076,518 1.003,519 1.05,520 0.988,521 1.182,522 1.065,523 0.821,524 0.973,525 0.986,526 1.102,527 0.84,528 1.07,529 1.064,530 0.942,531 0.876,532 0.85,533 0.984,534 0.961,535 0.964,536 0.873,537 1.058,538 0.955,539 0.841,540 0.921,541 8,542 0.292,543 5.333,544 3.194,545 2.436,546 1.542,547 0.842,548 0.634,549 0.495,550 0.379,551 18093,552 55410,553 2.082,554 40.7,555 5,556 17,558 1,559 1,564 1.768,565 1.918,566 3.616,567 -0.345,573 102.071,574 1.73,575 3.94,576 5.031,577 5.471,578 5.552,579 5.552,580 3.041,581 4.822,582 5.102,583 3.801,584 2261.4,585 8.962,586 34476.2,591 347.076,592 1.628,593 5.041,594 0.205,595 0.008,596 0.092,597 0.049,598 0.041,599 0.029,600 0.017,601 0.013,602 0.011,603 0.01,604 0.474,605 0.17,606 0.75,607 0.819,608 188.095,609 0.024,610 -0.09,611 0.163,612 -0.037,613 -0.083,614 0.027,615 0.047,616 0.059,617 0.011,618 0.045,619 0.121,620 0.096,621 -0.075,622 -0.082,623 0.016,624 -0.022,625 -0.08,626 0.004,627 -0.047,628 -0.118,629 -0.169,630 -0.141,631 0.038,632 -0.209,633 -0.005,634 0.081,635 -0.112,636 -0.026,637 -0.037,638 -0.084,639 -0.041,640 -0.12,641 -0.029,642 -0.121,643 -0.045,644 -0.058,645 0.018,646 0.024,647 0.022,648 0.055,649 0.051,650 0.016,651 0.02,652 0.091,653 0.016,654 0.065,655 0.003,656 0.098,657 4.663,658 7.022,659 0.743,660 36.604,661 1.016,662 1.121,663 3.568,664 12.727,665 0.691,666 3.689,667 4.078,668 4.382,669 4.654,670 4.868,671 5.037,672 5.193,673 5.303,674 5.398,675 5.598,676 7.491,677 0.666,678 493.6,679 3.689,680 5.273,681 6.151,682 7.059,683 7.948,684 8.857,685 9.751,686 10.658,687 11.554,688 12.461,689 5.1,696 1,697 1,699 1,703 2,704 9,705 1,706 1,709 8,711 22,719 1,729 1,730 1,731 59,733 25,734 3,735 39,737 63,738 26,739 19,740 10,741 8,742 1,746 5,747 7,752 1,758 1,761 20,762 6,766 3,769 1,771 3,775 1,779 1,781 24,782 7,783 1,784 9,785 1,787 1,790 3,794 0.6,795 4,811 1,812 3,813 1,815 1,817 1,840 3,842 1,844 2,846 1,848 35,851 1,854 4,856 1,859 1,869 1,870 6.8,873 3,875 1,877 18.25,878 11.376,879 7.472,880 3.583,881 4.317,882 1.501,883 1.027,884 6.12,885 12.931,886 3.989,887 4.675,888 5.272,889 5.863,890 6.382,891 6.756,892 7.21,893 7.522,894 7.793,895 8.25,896 1,897 65,898 13.35,900 6.232,901 7.993,902 24.548,904 20.935,905 2.493,906 87.25,910 270.735,911 158.664,912 36.695,914 80.458,915 14.96,916 6.046,917 152.618,918 351.193,919 51.655,920 16.016,921 14.463,922 81.856,923 111.338,924 61.773,925 17.104,926 258.964,928 270.735,929 189.314,930 95.418,931 6.046,933 285.695,934 80.458,937 50.836,938 121.692,939 22.831,941 285.695,942 117.153,943 158.664,945 6.046,946 270.735,947 52.174,948 103.568,949 16.786,950 112.203,951 270.735,952 132.113,953 158.664,955 0.599,956 0.36,957 0.193,958 0.098,959 30,960 14,961 0.063,962 4,963 2,964 1.154,965 4.385,966 351.242,967 0.154,968 26,969 177.525,973 1,974 23.53,975 9.104,976 4.444,977 1.807,978 115.328,979 16.045,980 4.319,981 3.08,984 2.495,986 16.786,987 561.513,988 53,991 -3.747,993 37.341,997 -0.361,999 59.923,1000 66.159,1001 0.294,1002 0.67,1003 0.855,1004 0.93,1005 0.944,1006 0.944,1007 5.26,1008 1.668,1009 6.188,1010 5.94,1011 4.762,1012 5.364,1013 3.149,1014 7.077,1015 4.665,1016 6.522,1017 1.586,1018 7.807,1019 4.595,1020 4.575,1021 5.479,1022 0.325,1023 8.244,1024 4.384,1025 7.888,1026 1.534,1027 9.531,1028 4.392,1029 6.475,1030 7.721,1031 5.06,1032 11.308,1033 6.271,1034 9.294,1035 1.479,1036 11.318,1037 4.224,1038 7.083,1039 8.635,1040 0.74,1041 13.25,1042 6.775,1043 10.732,1044 1.19,1045 13.143,1046 3.914,1047 8.5,1048 10.407,1049 7.189,1050 15.892,1051 8.172,1052 12.193,1053 1.046,1054 14.994,1055 2.814,1056 9.437,1057 11.654,1058 1.168,1059 18.137,1060 9.01,1061 13.671,1062 0.866,1063 16.864,1064 2.38,1065 10.69,1066 13.261,1067 9.348,1068 20.657,1069 10.225,1070 3.417,1071 0.562,1072 18.749,1073 2.045,1074 11.765,1075 14.653,1076 1.605,1077 23.033,1078 11.21,1079 3.095,1080 12.392,1081 20.646,1082 1.095,1083 12.964,1084 16.2,1085 11.511,1086 25.522,1087 12.355,1088 3.019,1089 10.653,1090 22.552,1091 4.733,1092 14.101,1093 17.66,1094 2.049,1095 27.96,1096 13.407,1097 2.867,1098 9.766,1099 24.466,1100 4.392,1101 15.286,1102 19.187,1103 13.675,1104 30.445,1105 14.528,1106 2.587,1107 9.224,1108 26.388,1109 4.021,1110 16.452,1111 20.679,1112 2.494,1113 32.915,1114 15.611,1115 2.441,1116 8.431,1117 28.316,1118 3.956,1119 17.638,1120 22.202,1121 15.838,1122 35.406,1123 16.726,1124 1.882,1125 8.039,1126 30.249,1127 3.319,1128 18.82,1129 23.712,1130 2.938,1131 37.893,1132 17.826,1133 16949,1134 29827,1135 25.66,1136 40.796,1137 59.923,1138 63.215,1139 61.609,1140 59.511,1141 59.321,1142 79.834,1143 11.123,1144 181.852,1145 56.447,1146 5.79,1147 7.194,1148 6.809,1149 5.391,1150 5.417,1151 7.733,1152 5.9,1153 20.317,1154 5.152,1155 19.389,1156 1.536,1157 1.621,1158 1.58,1159 1.526,1160 1.521,1161 2.047,1162 0.285,1163 4.663,1164 1.447,1165 4.138,1166 4.165,1167 4.737,1168 4.11,1169 8.201,1170 4.055,1171 4.084,1172 4.076,1173 4.084,1174 4.024,1175 7.715,1176 4.002,1177 3.927,1178 3.951,1179 3.906,1180 3.817,1181 7.427,1182 3.823,1183 3.753,1184 3.742,1185 3.812,1186 3.691,1187 6.999,1188 3.625,1189 3.562,1190 3.616,1191 3.478,1192 3.384,1193 5.088,1194 3.392,1195 3.364,1196 3.431,1197 3.251,1198 3.209,1199 4.83,1200 3.195,1201 3.307,1202 3.368,1203 3.152,1204 3.153,1205 4.536,1206 3.152,1207 3.194,1208 3.245,1209 3.073,1210 2.985,1211 4.409,1212 2.988,1213 0.125,1214 0.133,1215 0.187,1216 0.111,1217 0.088,1218 4.866,1219 0.121,1220 5.194,1221 0.076,1222 7.282,1223 0.318,1224 4.316,1225 0.081,1226 3.417,1227 4.733,1228 2.95,1229 12.392,1230 3.152,1231 2.009,1232 2.011,1233 2.082,1234 2.08,1235 1.29,1236 2.094,1237 1.993,1238 1.984,1239 2.021,1240 2.057,1241 1.243,1242 2.073,1243 1.793,1244 1.769,1245 1.89,1246 1.901,1247 1.095,1248 1.902,1249 1.648,1250 1.658,1251 1.789,1252 1.825,1253 1.017,1254 1.843,1255 1.538,1256 1.479,1257 1.727,1258 1.732,1259 1.004,1260 1.776,1261 1.369,1262 1.299,1263 1.572,1264 1.655,1265 0.747,1266 1.626,1267 1.361,1268 1.286,1269 1.529,1270 1.556,1271 0.634,1272 1.596,1273 1.169,1274 1.12,1275 1.416,1276 1.381,1277 0.448,1278 1.391,1279 4.369,1281 5.74,1282 2.398,1283 7.298,1284 4.727,1285 8.941,1286 6.804,1287 10.629,1289 2.654,1291 15.022,1295 1.089,1297 5.893,1300 1.612,1305 39.289,1306 102.071,1307 232.489,1308 296.811,1309 322.811,1310 327.566,1311 327.566,1312 86.78,1313 8.615,1314 92.36,1315 100.74,1316 30,1317 12.98,1318 4.7,1319 3.907,1320 52.21,1321 158,1322 147,1323 0.16,1324 239.7,1325 416.66,1326 576.628,1327 74987,1328 1.7,1329 24.742,1330 0.707,1331 0.576,1332 24.122,1333 20.155,1334 16.757,1335 0.43,1336 0.337,1337 11.263,1338 15.36,1339 10.804,1340 8.902,1341 17.224,1342 13.151,1343 16.048,1344 0.277,1345 0.182,1346 16.999,1347 10.546,1348 13.606,1349 0.172,1350 0.094,1351 13.885,1352 7.388,1353 11.689,1354 0.112,1355 0.05,1356 11.349,1357 5.225,1358 8.926,1359 0.069,1360 0.027,1361 9.336,1362 3.541,1363 0.252,1364 114.322,1365 0.197,1366 31.972,1367 0.44,1368 194,1369 647.537,1370 246.459,1371 616.182,1372 828.68,1373 570,1374 234,1375 579.402,1376 295.272,1377 612.736,1378 899.05,1379 574,1380 5.523}
{0 CHEMBL2333364,1 1.69,2 12.2,3 2.316,4 5.364,5 115.287,6 8.305,7 0.545,8 4.044,9 4.135,10 3.834,11 3.654,12 5.169,13 3.615,14 4.575,15 4.708,16 4.117,17 4.03,18 5.881,19 3.992,20 4.851,21 5.002,22 4.216,23 4.206,24 6.069,25 4.155,26 4.934,27 5.114,28 4.054,29 4.176,30 6.118,31 4.093,32 4.88,33 5.099,34 3.946,35 4.093,36 5.974,37 3.994,38 4.743,39 4.969,40 3.928,41 3.985,42 5.732,43 3.89,44 4.69,45 4.886,46 3.968,47 3.911,48 6.032,49 3.847,50 4.601,51 4.783,52 3.833,53 3.885,54 5.713,55 3.79,56 0.106,57 0.745,58 11.271,59 5.137,60 20.767,61 5.541,62 0.386,63 1.2,64 20.852,65 8.53,66 53.943,67 9.589,68 0.464,69 1.503,70 26.75,71 10.892,72 63.152,73 12.36,74 0.552,75 1.565,76 30.684,77 11.929,78 84.43,79 13.924,80 0.55,81 1.467,82 29.46,83 11.472,84 81.708,85 14.722,86 0.301,87 1.315,88 26.771,89 10.335,90 46.66,91 13.689,92 0.696,93 1.234,94 24.289,95 8.965,96 97.436,97 11.092,98 0.365,99 1.165,100 25.26,101 9.245,102 55.235,103 10.406,104 27,105 48,106 0.28,107 0.617,108 0.766,109 0.845,110 0.865,111 0.865,112 3.44,113 1.025,114 -3.93,115 -3.88,116 -3.68,119 43.1,124 1,125 3,142 9,143 4,144 2,145 1,147 1,158 1,163 1,164 1,165 1,172 11,174 2,175 7,177 1,178 1,180 1,183 12,185 1,186 1,187 13,192 1,195 9,197 1,199 14,204 1,207 5,209 1,211 1,212 9,217 1,220 5,222 1,224 6,229 2,232 6,234 2,236 6,237 6,242 2,245 8,247 2,250 1,258 9,262 1,263 4,265 2,266 2,271 7,275 1480,276 19.781,277 19.781,278 19.781,279 19.781,280 19.781,281 17.252,282 18.718,283 11.335,284 20.326,285 16.261,286 16.261,287 16.261,288 16.261,289 16.261,290 12.333,291 20.639,292 5.369,293 17.158,294 3.982,295 1.942,296 1.045,297 0.564,298 0.446,299 0.446,300 4.134,304 1,305 1,306 788,307 3.606,311 268.874,312 89.958,316 144.224,318 1.96,319 40.855,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 65.5,331 366,332 4.802,333 5.18,334 7.111,335 4.185,336 3.316,337 4.661,338 2.95,339 11.659,340 2.993,341 4.377,342 3.706,343 6.429,344 4.026,345 3.053,346 4.041,347 1.23,348 9.898,349 2.91,350 4.218,351 3.191,352 6.259,353 3.885,354 2.898,355 3.703,356 0.86,357 9.4,358 2.778,359 4.029,360 2.803,361 5.987,362 3.632,363 2.659,364 3.597,365 0.521,366 8.522,367 2.58,368 3.635,369 2.662,370 5.238,371 3.227,372 2.276,373 3.014,375 6.383,376 2.159,377 3.5,378 2.387,379 5.04,380 3.103,381 2.149,382 2.799,384 6.077,385 2.042,386 3.046,387 2.321,388 4.624,389 2.619,390 1.661,391 2.194,393 4.778,394 1.592,395 2.92,396 2.083,397 4.466,398 2.586,399 1.634,400 2.066,402 4.448,403 1.535,404 2.849,405 1.965,406 4.259,407 2.399,408 1.413,409 1.97,411 3.873,412 1.39,413 2.5,414 1.47,415 3.747,416 2.082,417 1.106,418 1.5,420 2.661,421 1.067,422 2.5,423 1.218,424 3.414,425 2,426 1,427 1.5,428 2.275,429 1,430 2.452,431 1,432 3.414,433 1.959,434 1,435 1.367,436 2.275,437 0.956,438 2.12,439 1,440 3.38,441 1.727,442 0.724,443 0.962,445 1.829,446 0.715,447 1.297,448 0.833,449 2.804,450 0.988,451 0.034,452 0.04,454 0.08,455 0.032,456 1.025,457 0.363,458 2.755,459 0.751,460 -0.187,461 -0.209,463 -0.499,464 -0.173,465 14.367,466 0.479,467 0.949,468 0.032,469 42.75,470 1.425,471 23.5,472 0.783,473 19.25,474 0.642,475 22.491,476 0.75,477 31.833,478 0.624,479 34.478,480 1.149,481 8.37,482 0.279,483 5.939,484 0.198,485 0.132,486 0.058,487 0.306,493 0.623,494 1.2,495 0.805,496 1.126,497 0.679,498 0.894,499 0.819,500 0.991,501 0.986,502 1.008,503 0.566,504 0.878,505 1.154,506 1.069,507 1.01,508 1.016,509 1.012,510 1.026,511 1.252,512 1.084,513 1.092,514 1.057,515 1.203,516 1.157,517 0.842,518 0.935,519 0.786,520 0.862,521 0.932,522 0.999,523 0.562,524 1.064,525 0.655,526 0.983,527 0.502,528 0.973,529 0.834,530 0.84,531 0.769,532 0.796,533 0.596,534 0.89,535 1.13,536 1.122,537 1.288,538 1.197,539 0.988,540 1.104,541 7.5,542 0.208,543 4.444,544 2.063,545 1.468,546 1.17,547 0.725,548 0.497,549 0.38,550 0.29,551 11988,552 37534,553 2.059,554 41.2,556 18,558 1,559 2,564 1.727,565 1.905,566 3.563,567 0.243,568 1,569 1,573 86.193,574 1.69,575 3.731,576 4.628,577 5.109,578 5.226,579 5.226,580 3.031,581 4.257,582 4.875,583 3.733,584 1623.67,585 8.502,586 22486.7,588 1,590 1,591 289.294,592 1.615,593 4.82,594 0.227,595 0.008,596 0.093,597 0.04,598 0.034,599 0.03,600 0.02,601 0.013,602 0.012,603 0.01,604 0.486,605 0.5,606 1,607 0.758,608 154.529,609 0.024,610 -0.057,611 0.176,612 -0.019,613 -0.139,614 0.042,615 0.074,616 0.091,617 -0.032,618 0.015,619 0.175,620 0.054,621 -0.146,622 -0.055,623 -0.14,624 -0.069,625 -0.087,626 -0.096,627 -0.214,628 -0.128,629 -0.233,630 -0.141,631 -0.154,632 -0.203,633 0.006,634 -0.018,635 0.021,636 0.017,637 -0.054,638 0.001,639 0.1,640 -0.14,641 0.199,642 -0.057,643 0.054,644 0.061,645 0.241,646 0.138,647 0.105,648 0.094,649 0.273,650 0.059,651 -0.163,652 -0.113,653 -0.192,654 -0.128,655 -0.098,656 -0.117,657 4.224,658 6.013,659 0.767,660 31.289,661 1.013,662 1.117,663 2.699,664 7.282,665 0.693,666 3.526,667 3.892,668 4.127,669 4.331,670 4.595,671 4.754,672 4.883,673 4.949,674 5.081,675 5.236,676 7.082,677 0.664,678 423.53,679 3.526,680 5.094,681 5.943,682 6.828,683 7.692,684 8.577,685 9.447,686 10.333,687 11.206,688 12.091,689 5.9,693 1,696 1,699 1,704 10,705 1,709 7,711 18,719 1,722 1,729 1,731 51,733 21,734 2,735 33,737 54,738 22,739 17,740 5,741 7,742 1,746 4,747 5,761 18,762 4,766 3,769 1,771 3,775 1,778 1,781 21,782 7,783 2,784 8,785 1,790 3,794 0.75,795 4,805 1,812 3,813 1,817 1,840 3,842 1,844 1,848 30,849 1,851 1,854 3,856 1,859 1,870 7.8,873 3,875 1,877 15.75,878 9.4,879 6.361,880 2.804,881 3.32,882 1.421,883 1.011,884 5.502,885 11.21,886 3.829,887 4.472,888 4.982,889 5.487,890 6.044,891 6.328,892 6.72,893 6.872,894 7.228,895 7.59,896 1,897 52,898 11.285,900 5.089,901 7.975,902 20.922,904 17.55,905 2.475,906 74.25,909 1,910 223.651,911 142.943,912 52.807,914 80.458,916 6.046,917 136.897,918 304.109,919 52.807,920 7.19,921 11.928,922 124.229,923 102.719,924 39.584,925 2.328,926 211.88,928 223.651,929 189.704,930 80.458,931 6.046,933 223.651,934 80.458,937 20.976,938 151.943,939 22.831,941 223.651,942 133.265,943 142.943,945 6.046,946 223.651,947 35.373,948 104.648,950 130.14,951 223.651,952 133.265,953 142.943,955 0.599,956 0.339,957 0.165,958 0.092,959 24,960 11,961 0.056,962 3,963 1,964 1.087,965 4.069,966 270.893,967 0.087,968 23,969 141.207,973 1,974 20.392,975 8.094,976 4.505,978 133.265,979 17.185,980 4.132,984 4.584,986 32.897,987 499.859,988 45,991 -3.308,993 36.298,997 -0.175,999 51.643,1000 56.989,1001 0.298,1002 0.658,1003 0.816,1004 0.901,1005 0.921,1006 0.921,1007 5.085,1008 1.634,1009 5.974,1010 4.778,1011 4.575,1012 5.159,1013 3.149,1014 6.817,1015 4.476,1016 6.333,1017 1.413,1018 7.567,1019 4.448,1020 4.369,1021 5.223,1022 0.325,1023 7.951,1024 4.159,1025 7.683,1026 1.106,1027 9.268,1028 3.873,1029 6.256,1030 7.454,1031 5.06,1032 10.946,1033 6.037,1034 9.072,1035 1,1036 11.032,1037 2.661,1038 6.825,1039 8.305,1040 0.74,1041 12.862,1042 6.48,1043 10.494,1044 1,1045 12.838,1046 2.275,1047 8.242,1048 10.079,1049 7.189,1050 15.442,1051 7.879,1052 11.939,1053 0.724,1054 14.672,1055 2.275,1056 9.142,1057 11.273,1058 1.168,1059 17.656,1060 8.655,1061 13.403,1062 0.034,1063 16.526,1064 1.829,1065 10.389,1066 12.881,1067 9.348,1068 20.115,1069 9.862,1070 3.316,1071 -0.187,1072 18.395,1073 0.08,1074 11.434,1075 14.237,1076 1.605,1077 22.45,1078 10.792,1079 3.053,1080 11.659,1081 20.277,1082 -0.499,1083 12.62,1084 15.782,1085 11.511,1086 24.878,1087 11.918,1088 2.898,1089 9.898,1090 22.168,1091 4.661,1092 13.73,1093 17.219,1094 2.049,1095 27.267,1096 12.92,1097 2.659,1098 9.4,1099 24.068,1100 4.041,1101 14.898,1102 18.743,1103 13.675,1104 29.692,1105 14.012,1106 2.276,1107 8.522,1108 25.975,1109 3.703,1110 16.038,1111 20.222,1112 2.494,1113 32.107,1114 15.05,1115 2.149,1116 6.383,1117 27.888,1118 3.597,1119 17.204,1120 21.742,1121 15.838,1122 34.537,1123 16.128,1124 1.661,1125 6.077,1126 29.805,1127 3.014,1128 18.36,1129 23.244,1130 2.938,1131 36.966,1132 17.184,1133 11469,1134 20437,1135 21.671,1136 35.335,1137 50.441,1138 53.198,1139 51.102,1140 50.023,1141 49.845,1142 66.83,1143 11.123,1144 148.316,1145 47.497,1146 5.722,1147 7.18,1148 6.639,1149 5.258,1150 5.316,1151 7.661,1152 5.9,1153 18.641,1154 4.993,1155 16.449,1156 1.529,1157 1.612,1158 1.549,1159 1.516,1160 1.51,1161 2.025,1162 0.337,1163 4.494,1164 1.439,1165 4.094,1166 4.087,1167 4.735,1168 4.097,1169 7.716,1170 4.009,1171 4.008,1172 4.014,1173 3.982,1174 3.947,1175 7.428,1176 3.938,1177 3.812,1178 3.848,1179 3.801,1180 3.685,1181 6.999,1182 3.685,1183 3.698,1184 3.695,1185 3.704,1186 3.622,1187 5.176,1188 3.577,1189 3.498,1190 3.548,1191 3.408,1192 3.333,1193 4.844,1194 3.332,1195 3.198,1196 3.247,1197 3.095,1198 2.986,1199 4.655,1200 2.989,1201 3.064,1202 3.146,1203 2.941,1204 2.898,1205 4.559,1206 2.907,1207 2.961,1208 3.006,1209 2.844,1210 2.795,1211 4.245,1212 2.799,1213 0.146,1214 0.157,1215 0.215,1216 0.127,1217 0.1,1218 4.802,1219 0.141,1220 5.18,1221 0.089,1222 7.111,1223 0.353,1224 4.185,1225 0.091,1226 3.316,1227 4.661,1228 2.95,1229 11.659,1230 2.993,1231 1.988,1232 1.997,1233 2.057,1234 2.064,1235 1.237,1236 2.084,1237 1.966,1238 1.95,1239 1.998,1240 2.035,1241 1.205,1242 2.053,1243 1.727,1244 1.693,1245 1.838,1246 1.872,1247 1.071,1248 1.872,1249 1.625,1250 1.624,1251 1.78,1252 1.823,1253 0.907,1254 1.827,1255 1.49,1256 1.448,1257 1.585,1258 1.657,1259 0.832,1260 1.704,1261 1.177,1262 1.125,1263 1.428,1264 1.406,1265 0.604,1266 1.411,1267 0.975,1268 0.91,1269 1.239,1270 1.252,1271 0.238,1272 1.26,1273 0.929,1274 0.891,1275 1.181,1276 1.147,1277 0.22,1278 1.15,1279 4.205,1281 5.557,1283 7.091,1284 2.708,1285 8.7,1286 5.198,1287 10.346,1289 1.14,1293 5.667,1295 1.196,1297 5.83,1300 1.701,1305 33.852,1306 86.193,1307 190.261,1308 236.009,1309 260.539,1310 266.539,1311 266.539,1312 64.47,1313 7.89,1314 102.59,1315 110.97,1316 25,1317 12.626,1318 4.459,1319 3.7,1320 47.116,1321 127,1322 132,1323 0.181,1324 210.453,1325 367.29,1326 505.266,1327 30345,1329 21.303,1330 0.71,1331 0.574,1332 21.553,1333 17.224,1334 14.309,1335 0.434,1336 0.342,1337 9.419,1338 13.024,1339 9.005,1340 7.432,1341 15.203,1342 11.273,1343 13.877,1344 0.289,1345 0.191,1346 15.264,1347 9.182,1348 11.147,1349 0.183,1350 0.1,1351 11.903,1352 6.105,1353 8.74,1354 0.117,1355 0.053,1356 9.256,1357 3.981,1358 7.191,1359 0.073,1360 0.028,1361 7.548,1362 2.727,1363 0.286,1364 98.599,1365 0.215,1366 28.375,1367 0.492,1368 162,1369 508.405,1370 209.935,1371 509.972,1372 684.29,1373 470,1374 190,1375 471.942,1376 243.362,1377 511.415,1378 738.76,1379 477,1380 5.538}
{0 CHEMBL2333365,1 1.775,2 12.281,3 3.008,4 9.046,5 120.544,6 8.436,7 0.514,8 4.101,9 4.194,10 3.89,11 3.697,12 5.258,13 3.666,14 4.641,15 4.78,16 4.197,17 4.077,18 5.963,19 4.05,20 4.912,21 5.053,22 4.377,23 4.265,24 6.181,25 4.239,26 5.045,27 5.215,28 4.292,29 4.265,30 6.462,31 4.212,32 5.016,33 5.222,34 4.14,35 4.206,36 6.289,37 4.124,38 4.905,39 5.114,40 4.054,41 4.118,42 5.977,43 4.029,44 4.915,45 5.144,46 4.098,47 4.044,48 6.218,49 3.979,50 4.764,51 4.95,52 3.993,53 3.982,54 5.982,55 3.907,56 0.139,57 0.856,58 11.416,59 5.525,60 24.253,61 5.828,62 0.466,63 1.368,64 22.143,65 9.201,66 62.132,67 10.208,68 0.59,69 1.792,70 27.651,71 11.63,72 79.184,73 12.539,74 1.002,75 1.989,76 33.059,77 13.221,78 165.036,79 14.525,80 1.009,81 1.833,82 36.728,83 13.236,84 145.877,85 15.662,86 0.535,87 1.574,88 30.372,89 11.9,90 87.51,91 15.037,92 0.978,93 1.636,94 33.206,95 11.587,96 140.952,97 14.293,98 0.725,99 1.462,100 29.88,101 10.658,102 90.796,103 11.604,104 51,105 52,106 0.291,107 0.647,108 0.809,109 0.869,110 0.883,111 0.883,112 3.503,113 1.012,114 -4.25,115 -4.19,116 -3.96,119 42.6,120 1,124 1,125 3,142 7,143 5,144 3,145 1,147 1,158 1,163 1,164 1,165 1,172 11,174 2,175 7,177 1,178 1,180 1,183 11,185 1,186 1,187 11,192 1,195 9,197 1,199 14,204 1,207 6,209 1,211 1,212 11,217 1,220 5,222 1,224 6,229 2,232 6,234 2,236 6,237 6,242 2,245 8,247 2,250 1,258 9,262 1,263 4,265 2,266 2,271 7,275 1732,276 20.833,277 20.833,278 20.833,279 20.833,280 20.833,281 18.171,282 20.498,283 11.766,284 21.41,285 17.196,286 17.196,287 17.196,288 17.196,289 17.196,290 13.096,291 22.377,292 5.538,293 18.18,294 3.98,295 1.804,296 0.813,297 0.449,298 0.361,299 0.361,300 4.192,304 1,305 1,306 840,307 3.742,311 289.844,312 96.024,316 154.699,318 1.924,319 55.086,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71,331 393,332 4.864,333 5.194,334 7.276,335 4.307,336 3.412,337 4.731,338 2.95,339 12.338,340 3.132,341 4.408,342 3.736,343 6.646,344 4.043,345 3.082,346 4.045,347 1.23,348 10.465,349 2.956,350 4.343,351 3.236,352 6.298,353 3.939,354 2.96,355 3.994,356 0.86,357 9.592,358 2.8,359 4.049,360 3.151,361 6.036,362 3.668,363 2.703,364 3.607,365 0.521,366 8.651,367 2.601,368 3.804,369 2.801,370 5.887,371 3.419,372 2.473,373 3.117,375 7.936,376 2.32,377 3.621,378 2.438,379 5.215,380 3.209,381 2.259,382 2.996,384 6.084,385 2.141,386 3.174,387 2.384,388 5.04,389 2.825,390 1.881,391 2.33,393 5.933,394 1.761,395 2.958,396 2.277,397 4.539,398 2.592,399 1.657,400 2.137,402 4.488,403 1.54,404 2.921,405 2.076,406 4.448,407 2.485,408 1.499,409 2.066,411 4.089,412 1.473,413 2.864,414 1.966,415 4.258,416 2.407,417 1.419,418 2.001,420 3.863,421 1.398,422 2.5,423 1.47,424 3.845,425 2.146,426 1.163,427 1.5,428 2.785,429 1.129,430 2.498,431 1.278,432 3.414,433 1.959,434 1,435 1.424,436 2.275,437 0.956,438 2.132,439 1.217,440 3.4,441 1.783,442 0.803,443 1.012,445 1.986,446 0.776,447 1.365,448 1,449 3.092,450 1.072,451 0.154,452 0.176,454 0.363,455 0.136,456 1.297,457 0.634,458 2.849,459 0.979,460 0.031,461 0.037,463 0.075,464 0.029,465 15.152,466 0.474,467 1.111,468 0.035,469 44,470 1.375,471 23.5,472 0.734,473 20.5,474 0.641,475 27.066,476 0.846,477 34.648,478 0.642,479 37.803,480 1.181,481 8.661,482 0.271,483 6.486,484 0.203,485 0.177,486 0.055,487 0.356,491 1,493 0.591,494 1.103,495 0.781,496 1.135,497 0.634,498 0.908,499 0.75,500 0.926,501 0.908,502 0.971,503 0.561,504 0.824,505 1.068,506 1.127,507 0.903,508 1.038,509 0.998,510 1.004,511 1.223,512 1.207,513 1.044,514 1.063,515 1.161,516 1.153,517 0.955,518 0.898,519 1.037,520 0.968,521 1.012,522 1.033,523 0.73,524 1.004,525 0.788,526 1.046,527 0.767,528 1.101,529 0.898,530 0.843,531 0.736,532 0.731,533 0.758,534 0.808,535 1.161,536 1.084,537 1.245,538 1.123,539 1.013,540 1.065,541 8,542 0.286,543 5.111,544 2.938,545 2.17,546 1.337,547 0.833,548 0.622,549 0.457,550 0.364,551 13574,552 44748,553 2.019,554 40.7,555 3,556 16,558 1,559 2,564 1.745,565 1.837,566 3.57,567 0.239,569 1,573 95.86,574 1.775,575 3.951,576 4.942,577 5.306,578 5.394,579 5.394,580 3.028,581 4.578,582 4.971,583 3.732,584 1851.15,585 8.699,586 26461.3,591 310.764,592 1.693,593 4.896,594 0.229,595 0.01,596 0.098,597 0.05,598 0.042,599 0.029,600 0.02,601 0.014,602 0.012,603 0.011,604 0.515,605 0.33,606 1,607 0.792,608 167.287,609 0.008,610 -0.049,611 0.159,612 -0.016,613 -0.11,614 0.041,615 0.05,616 0.066,617 0.027,618 0.059,619 0.131,620 0.125,621 -0.114,622 -0.123,623 -0.053,624 -0.081,625 -0.102,626 -0.076,627 -0.066,628 -0.099,629 -0.178,630 -0.135,631 0.01,632 -0.215,633 0.018,634 0.088,635 -0.1,636 -0.015,637 -0.001,638 -0.043,639 -0.002,640 -0.181,641 0.048,642 -0.132,643 -0.049,644 -0.084,645 0.13,646 0.14,647 0.18,648 0.168,649 0.141,650 0.184,651 -0.094,652 -0.051,653 -0.165,654 -0.072,655 -0.071,656 -0.082,657 4.653,658 6.684,659 0.719,660 32.273,661 1.019,662 1.125,663 3.019,664 9.117,665 0.686,666 3.584,667 3.97,668 4.234,669 4.466,670 4.7,671 4.836,672 4.977,673 5.043,674 5.165,675 5.333,676 7.114,677 0.662,678 455.55,679 3.584,680 5.165,681 6.028,682 6.929,683 7.807,684 8.707,685 9.592,686 10.492,687 11.38,688 12.281,689 5.6,693 1,696 1,699 1,704 8,705 1,709 9,711 18,719 1,722 1,729 1,730 1,731 54,733 21,734 2,735 35,737 57,738 23,739 17,740 7,741 5,742 1,746 4,747 5,752 1,761 18,762 5,766 3,769 1,771 3,775 1,778 1,779 1,781 22,782 8,783 2,784 9,785 1,790 3,794 0.75,795 4,805 1,812 3,813 1,817 1,840 3,842 1,844 2,846 1,848 32,849 1,851 1,854 3,856 1,859 1,869 1,870 7.4,873 3,875 1,877 17.417,878 10.376,879 6.778,880 3,881 3.345,882 1.417,883 1.005,884 5.933,885 11.374,886 3.871,887 4.538,888 5.07,889 5.604,890 6.137,891 6.41,892 6.805,893 6.962,894 7.271,895 7.64,896 1,897 59,898 12.196,900 5.673,901 8.112,902 22.117,904 18.576,905 2.612,906 83.583,909 1,910 235.422,911 145.122,912 52.807,914 80.458,915 14.96,916 6.046,917 139.076,918 315.88,919 67.767,920 16.016,921 11.928,922 105.277,923 102.719,924 51.89,925 17.288,926 223.651,928 235.422,929 191.883,930 95.418,931 6.046,933 250.382,934 80.458,937 29.801,938 145.297,939 22.831,941 250.382,942 133.265,943 145.122,945 6.046,946 235.422,947 47.679,948 94.521,950 145.101,951 235.422,952 148.225,953 145.122,955 0.605,956 0.352,957 0.178,958 0.095,959 26,960 13,961 0.053,962 3,963 1,964 1.087,965 4.107,966 302.067,967 0.087,968 23,969 158,973 1,974 22.253,975 8.532,976 4.505,978 148.225,979 13.43,980 4.115,984 2.474,986 32.897,987 528.769,988 47,991 -3.736,993 36.771,997 -0.391,999 55.04,1000 60.744,1001 0.308,1002 0.686,1003 0.859,1004 0.922,1005 0.937,1006 0.937,1007 5.145,1008 1.657,1009 6.075,1010 5.933,1011 4.654,1012 5.226,1013 3.149,1014 6.954,1015 4.551,1016 6.408,1017 1.499,1018 7.693,1019 4.488,1020 4.511,1021 5.359,1022 0.325,1023 8.127,1024 4.307,1025 7.772,1026 1.419,1027 9.417,1028 4.089,1029 6.365,1030 7.548,1031 5.06,1032 11.175,1033 6.146,1034 9.174,1035 1.163,1036 11.203,1037 3.863,1038 6.986,1039 8.452,1040 0.74,1041 13.12,1042 6.655,1043 10.608,1044 1,1045 13.028,1046 2.785,1047 8.387,1048 10.202,1049 7.189,1050 15.765,1051 8.032,1052 12.064,1053 0.803,1054 14.88,1055 2.275,1056 9.328,1057 11.434,1058 1.168,1059 18.015,1060 8.866,1061 13.538,1062 0.154,1063 16.752,1064 1.986,1065 10.576,1066 13.033,1067 9.348,1068 20.542,1069 10.072,1070 3.412,1071 0.031,1072 18.639,1073 0.363,1074 11.654,1075 14.416,1076 1.605,1077 22.922,1078 11.052,1079 3.082,1080 12.338,1081 20.539,1082 0.075,1083 12.854,1084 15.962,1085 11.511,1086 25.416,1087 12.192,1088 2.96,1089 10.465,1090 22.449,1091 4.731,1092 13.994,1093 17.418,1094 2.049,1095 27.857,1096 13.24,1097 2.703,1098 9.592,1099 24.368,1100 4.045,1101 15.182,1102 18.948,1103 13.675,1104 30.346,1105 14.356,1106 2.473,1107 8.651,1108 26.294,1109 3.994,1110 16.351,1111 20.443,1112 2.494,1113 32.817,1114 15.436,1115 2.259,1116 7.936,1117 28.226,1118 3.607,1119 17.541,1120 21.972,1121 15.838,1122 35.309,1123 16.547,1124 1.881,1125 6.084,1126 30.165,1127 3.117,1128 18.727,1129 23.488,1130 2.938,1131 37.796,1132 17.644,1133 13080,1134 23918,1135 22.482,1136 37.034,1137 53.403,1138 57.297,1139 55.588,1140 53.125,1141 52.994,1142 70.349,1143 11.123,1144 161.848,1145 50.296,1146 5.786,1147 7.194,1148 6.803,1149 5.38,1150 5.412,1151 7.731,1152 5.9,1153 20.259,1154 5.132,1155 19.829,1156 1.526,1157 1.637,1158 1.588,1159 1.518,1160 1.514,1161 2.01,1162 0.318,1163 4.624,1164 1.437,1165 4.108,1166 4.099,1167 4.737,1168 4.104,1169 8.201,1170 4.025,1171 4.01,1172 4.02,1173 3.984,1174 3.947,1175 7.715,1176 3.94,1177 3.814,1178 3.848,1179 3.838,1180 3.699,1181 7.427,1182 3.686,1183 3.72,1184 3.712,1185 3.72,1186 3.642,1187 6.999,1188 3.6,1189 3.512,1190 3.566,1191 3.429,1192 3.34,1193 5.176,1194 3.344,1195 3.213,1196 3.264,1197 3.115,1198 2.999,1199 4.843,1200 3.001,1201 3.131,1202 3.212,1203 2.947,1204 2.977,1205 4.562,1206 2.958,1207 3.064,1208 3.146,1209 2.94,1210 2.898,1211 4.541,1212 2.907,1213 0.139,1214 0.148,1215 0.208,1216 0.123,1217 0.097,1218 4.864,1219 0.135,1220 5.194,1221 0.084,1222 7.276,1223 0.353,1224 4.307,1225 0.089,1226 3.412,1227 4.731,1228 2.95,1229 12.338,1230 3.132,1231 1.995,1232 2.006,1233 2.057,1234 2.069,1235 1.258,1236 2.088,1237 1.968,1238 1.95,1239 2,1240 2.044,1241 1.212,1242 2.053,1243 1.727,1244 1.694,1245 1.838,1246 1.872,1247 1.07,1248 1.872,1249 1.635,1250 1.641,1251 1.78,1252 1.823,1253 0.908,1254 1.83,1255 1.511,1256 1.462,1257 1.612,1258 1.688,1259 0.892,1260 1.734,1261 1.187,1262 1.13,1263 1.51,1264 1.42,1265 0.608,1266 1.443,1267 1.162,1268 1.088,1269 1.426,1270 1.374,1271 0.569,1272 1.404,1273 0.975,1274 0.909,1275 1.239,1276 1.252,1277 0.23,1278 1.26,1279 4.263,1281 5.631,1283 7.185,1284 2.708,1285 8.82,1286 5.198,1287 10.497,1289 2.343,1291 14.684,1293 5.664,1295 0.852,1297 5.81,1300 1.568,1305 35.762,1306 95.86,1307 213.338,1308 266.848,1309 286.499,1310 291.254,1311 291.254,1312 87.328,1313 8.029,1314 102.59,1315 110.97,1316 25,1317 12.805,1318 4.459,1319 3.7,1320 51.878,1321 136,1322 150,1323 0.186,1324 221.244,1325 390.66,1326 531.595,1327 35489,1328 1.9,1329 23.043,1330 0.72,1331 0.576,1332 22.423,1333 18.448,1334 15.147,1335 0.433,1336 0.337,1337 9.922,1338 13.777,1339 9.461,1340 7.809,1341 15.614,1342 11.801,1343 14.831,1344 0.285,1345 0.186,1346 15.803,1347 9.676,1348 12.145,1349 0.179,1350 0.096,1351 12.286,1352 6.542,1353 9.811,1354 0.114,1355 0.052,1356 9.708,1357 4.466,1358 7.747,1359 0.071,1360 0.028,1361 8.155,1362 3.057,1363 0.292,1364 104.494,1365 0.211,1366 29.711,1367 0.511,1368 174,1369 610.516,1370 225.765,1371 580.504,1372 769.95,1373 534,1374 207,1375 528.276,1376 267.079,1377 562.257,1378 818.04,1379 524,1380 5.523}
{0 CHEMBL2333366,1 1.67,2 13.829,3 5.163,4 26.651,5 124.009,6 8.824,7 0.59,8 4.117,9 4.203,10 3.818,11 3.717,12 5.341,13 3.728,14 4.663,15 4.787,16 4.265,17 4.107,18 6.26,19 4.116,20 4.919,21 5.064,22 4.369,23 4.289,24 6.384,25 4.272,26 4.998,27 5.175,28 4.223,29 4.254,30 6.258,31 4.213,32 4.966,33 5.165,34 4.152,35 4.179,36 6.248,37 4.136,38 4.852,39 5.064,40 4.019,41 4.096,42 5.991,43 4.035,44 4.769,45 4.963,46 4.038,47 4.04,48 5.996,49 3.996,50 4.715,51 4.884,52 4.053,53 3.991,54 6.213,55 3.949,56 0.161,57 0.928,58 7.061,59 5,60 30.003,61 5.148,62 0.935,63 1.915,64 16.202,65 8.348,66 146.886,67 8.489,68 0.914,69 1.809,70 22.584,71 11.208,72 147.046,73 12.527,74 0.821,75 1.901,76 27.535,77 12.279,78 105.562,79 13.534,80 0.978,81 1.963,82 29.582,83 12.26,84 138.252,85 13.679,86 0.717,87 1.689,88 26.937,89 11.462,90 110.583,91 13.709,92 0.739,93 1.43,94 23.713,95 9.998,96 96.715,97 12.099,98 0.933,99 1.485,100 20.338,101 9.295,102 138.882,103 10.977,104 28,105 57,106 0.271,107 0.569,108 0.732,109 0.849,110 0.878,111 0.878,112 3.588,113 0.839,114 -4.83,115 -4.74,116 -4.45,119 50,125 3,132 1,142 12,143 6,144 1,145 1,146 1,157 1,158 1,172 17,174 1,175 9,183 19,186 1,187 13,195 15,199 13,207 9,211 1,212 10,220 10,224 6,232 13,236 4,237 6,245 15,250 4,258 12,262 1,263 7,271 9,275 2251,276 23.35,277 23.35,278 23.35,279 23.35,280 23.35,281 20.578,282 16.125,283 13.39,284 23.846,285 19.22,286 19.22,287 19.22,288 19.22,289 19.22,290 14.87,291 18.426,292 6.337,293 20.057,294 4.085,295 2.248,296 1.248,297 0.525,298 0.347,299 0.347,300 4.294,304 1,305 1,306 1060,307 4.062,311 392.837,312 105.773,315 160.139,316 168.444,318 2.291,319 56.775,322 1,323 0.83,324 1,325 0.4,326 0.5,327 1,328 1,329 0.82,330 78.5,331 484,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.366,338 3.904,339 11.845,340 3.065,341 4.465,342 3.707,343 6.433,344 4.052,345 3.073,346 3.964,347 1.23,348 9.93,349 3.01,350 4.305,351 3.195,352 6.317,353 3.95,354 2.968,355 3.92,356 0.86,357 9.605,358 2.895,359 4.193,360 3.13,361 6.147,362 3.797,363 2.815,364 3.569,365 0.766,366 9.064,367 2.76,368 3.863,369 2.956,370 5.909,371 3.5,372 2.521,373 3.306,374 0.521,375 8.253,376 2.462,377 3.68,378 2.593,379 5.576,380 3.325,381 2.384,382 2.93,384 7.298,385 2.187,386 3.228,387 2.371,388 5.184,389 2.941,390 1.989,391 2.427,393 6.148,394 1.863,395 3.118,396 2.199,397 4.529,398 2.613,399 1.672,400 2.378,402 4.61,403 1.576,404 3.051,405 2.072,406 4.421,407 2.586,408 1.618,409 2.293,411 4.36,412 1.556,413 2.899,414 1.667,415 4.271,416 2.526,417 1.534,418 2.02,420 3.947,421 1.514,422 2.8,423 1.618,424 3.947,425 2.309,426 1.316,427 1.941,428 2.96,429 1.303,430 2.562,431 1.563,432 3.664,433 2.177,434 1.181,435 1.5,436 2.859,437 1.157,438 2.5,439 1.329,440 3.608,441 2,442 1,443 1.477,445 2.275,446 1,447 2.353,448 1.205,449 3.414,450 1.895,451 0.907,452 1.189,454 2.254,455 0.875,456 2.173,457 1,458 3.373,459 1.677,460 0.673,461 0.995,463 1.644,464 0.66,465 16.157,466 0.462,467 1.052,468 0.03,469 48,470 1.371,471 25.5,472 0.729,473 22.5,474 0.643,475 27.382,476 0.782,477 36.643,478 0.679,479 42.629,480 1.218,481 9.844,482 0.281,483 6.948,484 0.199,485 0.094,486 0.031,487 0.334,490 3,493 0.56,494 0.91,495 0.592,496 0.967,497 0.553,498 0.851,499 0.557,500 0.708,501 0.736,502 0.88,503 0.435,504 0.877,505 0.529,506 0.795,507 0.804,508 1.022,509 0.401,510 1.028,511 0.838,512 0.848,513 1.068,514 1.077,515 0.774,516 1.144,517 0.944,518 0.901,519 1.078,520 0.978,521 0.97,522 1.045,523 0.753,524 0.819,525 0.947,526 0.994,527 0.715,528 1.03,529 0.56,530 0.61,531 0.807,532 0.872,533 0.437,534 0.925,535 0.444,536 0.727,537 0.875,538 1.097,539 0.443,540 1.158,541 8,542 0.259,543 5.111,544 2.375,545 2.081,546 1.163,547 0.785,548 0.596,549 0.449,550 0.315,551 19374,552 66869,553 2.099,554 35.2,556 18,558 1,564 1.765,565 1.953,566 3.749,567 -0.765,573 90.162,574 1.67,575 3.507,576 4.507,577 5.23,578 5.408,579 5.408,580 3.214,581 4.572,582 5.099,583 3.936,584 2341.77,585 8.942,586 36822,591 310.764,592 1.566,593 5.051,594 0.205,595 0.007,596 0.09,597 0.038,598 0.039,599 0.024,600 0.018,601 0.013,602 0.01,603 0.008,604 0.452,605 0.5,606 0.75,607 0.841,608 190.402,609 -0.018,610 -0.058,611 0.035,612 -0.026,613 -0.066,614 0.009,615 0.269,616 0.277,617 0.046,618 0.063,619 0.303,620 -0.005,621 0.164,622 -0.028,623 0.029,624 -0.078,625 0.228,626 -0.081,627 -0.105,628 -0.127,629 -0.146,630 -0.129,631 -0.052,632 -0.151,633 -0.079,634 -0.019,635 -0.078,637 -0.079,638 -0.021,639 -0.032,640 -0.005,641 0.048,642 -0.001,643 -0.032,644 0.044,645 0.091,646 0.041,647 0.144,648 0.082,649 0.096,650 0.114,651 0.312,652 0.054,653 0.041,654 -0.137,655 0.275,656 -0.166,657 6.213,658 6.095,659 0.771,660 42.206,661 1.029,662 1.126,663 3.603,664 12.983,665 0.7,666 3.689,667 4.06,668 4.331,669 4.554,670 4.82,671 4.956,672 5.142,673 5.283,674 5.412,675 5.541,676 8.104,677 0.696,678 476.48,679 3.689,680 5.263,681 6.125,682 7.015,683 7.889,684 8.78,685 9.659,686 10.549,687 11.43,688 12.32,689 3.7,696 1,699 1,703 2,704 13,705 1,709 6,711 23,716 1,719 1,729 1,731 54,733 25,734 3,735 39,737 58,738 27,739 21,740 7,741 11,742 2,746 5,747 7,752 1,757 1,761 23,762 4,766 2,771 2,775 2,779 3,781 19,782 8,784 8,790 2,794 0.6,795 3,805 1,812 4,813 1,816 1,817 1,840 3,846 3,848 35,854 3,856 1,859 1,860 1,869 3,870 5.6,873 2,875 1,877 17.917,878 9.912,879 7.417,880 3.182,881 4.497,882 1.519,883 1.025,884 5.942,885 13.155,886 3.98,887 4.61,888 5.219,889 5.766,890 6.366,891 6.694,892 7.16,893 7.542,894 7.965,895 8.27,896 1,897 63,898 13.847,900 6.925,901 8.212,902 23.918,904 20.055,905 2.712,906 94.917,910 223.651,911 175.052,912 19.91,914 61.29,915 44.88,917 175.052,918 284.941,919 64.79,921 11.928,922 113.715,923 88.685,924 90.816,926 211.88,927 7.76,928 223.651,929 194.962,930 106.17,933 223.651,934 106.17,937 30.879,938 147.297,939 16.786,941 268.531,942 81.2,943 175.052,946 231.41,947 44.53,948 125.887,950 122.956,951 223.651,952 126.08,953 175.052,955 0.599,956 0.349,957 0.174,958 0.094,959 29,960 13,961 0.052,962 3,963 2,964 1.148,965 4.513,966 340.958,967 0.148,968 27,969 168.77,974 22.924,975 9.072,976 4.722,977 1.912,978 126.08,979 21.966,980 4.515,984 3.025,987 524.783,988 52.5,993 24.507,997 -2.297,999 55.56,1000 60.796,1001 0.29,1002 0.609,1003 0.783,1004 0.909,1005 0.94,1006 0.94,1007 5.24,1008 1.672,1009 6.151,1010 6.148,1011 4.745,1012 5.298,1013 3.368,1014 7.004,1015 4.672,1016 6.475,1017 1.618,1018 7.748,1019 4.61,1020 4.511,1021 5.173,1022 3.911,1023 8.116,1024 4.332,1025 7.804,1026 1.534,1027 9.452,1028 4.36,1029 6.428,1030 7.528,1031 5.547,1032 11.145,1033 6.271,1034 9.169,1035 1.316,1036 11.219,1037 3.947,1038 6.986,1039 8.187,1040 6.781,1041 13.032,1042 6.726,1043 10.563,1044 1.181,1045 13.026,1046 2.96,1047 8.416,1048 10.042,1049 8.186,1050 15.635,1051 8.157,1052 11.977,1053 1,1054 14.86,1055 2.859,1056 9.311,1057 11.068,1058 9.529,1059 17.828,1060 8.96,1061 13.408,1062 0.907,1063 16.714,1064 2.275,1065 10.565,1066 12.705,1067 10.898,1068 20.302,1069 10.189,1070 3.349,1071 0.673,1072 18.582,1073 2.254,1074 11.609,1075 13.921,1076 12.257,1077 22.629,1078 11.149,1079 3.073,1080 11.845,1081 20.463,1082 1.644,1083 12.799,1084 15.455,1085 13.62,1086 25.07,1087 12.296,1088 2.968,1089 9.93,1090 22.353,1091 4.366,1092 13.911,1093 16.774,1094 14.981,1095 27.46,1096 13.328,1097 2.815,1098 9.605,1099 24.253,1100 3.964,1101 15.082,1102 18.258,1103 16.343,1104 29.898,1105 14.441,1106 2.521,1107 9.064,1108 26.16,1109 3.92,1110 16.226,1111 19.634,1112 17.705,1113 32.321,1114 15.506,1115 2.384,1116 8.253,1117 28.073,1118 3.569,1119 17.395,1120 21.095,1121 19.067,1122 34.765,1123 16.608,1124 1.989,1125 7.298,1126 29.993,1127 3.306,1128 18.556,1129 22.504,1130 20.429,1131 37.206,1132 17.689,1133 18121,1134 33994,1135 25.948,1136 37.801,1137 60.496,1138 61.174,1139 60.743,1140 59.571,1141 59.254,1142 78.331,1143 14.562,1144 177.172,1145 57.016,1146 5.421,1147 6.572,1148 6.869,1149 5.312,1150 5.349,1151 7.366,1152 5.553,1153 19.306,1154 5.065,1155 18.214,1156 1.551,1157 1.569,1158 1.558,1159 1.527,1160 1.519,1161 2.008,1162 0.373,1163 4.543,1164 1.462,1165 4.103,1166 4.128,1167 4.063,1168 4.04,1169 8.516,1170 4.042,1171 3.976,1172 3.999,1173 3.936,1174 3.895,1175 7.999,1176 3.899,1177 3.897,1178 3.918,1179 3.849,1180 3.828,1181 7.999,1182 3.829,1183 3.625,1184 3.662,1185 3.603,1186 3.447,1187 7.428,1188 3.464,1189 3.503,1190 3.532,1191 3.449,1192 3.302,1193 7.418,1194 3.331,1195 3.368,1196 3.417,1197 3.287,1198 3.208,1199 5.012,1200 3.226,1201 3.203,1202 3.251,1203 3.093,1204 2.976,1205 4.812,1206 2.985,1207 3.005,1208 3.057,1209 2.904,1210 2.86,1211 4.664,1212 2.861,1213 0.115,1214 0.117,1215 0.184,1216 0.109,1217 0.086,1218 4.5,1219 0.112,1220 4.572,1221 0.1,1222 7.182,1223 0.304,1224 4.242,1225 0.079,1226 3.349,1227 4.366,1228 3.904,1229 11.845,1230 3.065,1231 2.06,1232 2.038,1233 2.134,1234 2.135,1235 1.266,1236 2.136,1237 1.932,1238 1.913,1239 2.021,1240 2.029,1241 1.164,1242 2.025,1243 1.873,1244 1.853,1245 1.97,1246 1.954,1247 1.102,1248 1.959,1249 1.569,1250 1.515,1251 1.784,1252 1.811,1253 1.037,1254 1.799,1255 1.43,1256 1.396,1257 1.588,1258 1.615,1259 0.729,1260 1.576,1261 1.312,1262 1.298,1263 1.408,1264 1.556,1265 0.535,1266 1.52,1267 1.12,1268 1.063,1269 1.327,1270 1.346,1271 0.36,1272 1.355,1273 0.983,1274 0.926,1275 1.209,1276 1.156,1277 0.243,1278 1.176,1279 4.369,1281 5.727,1283 7.273,1284 2.708,1285 8.898,1286 5.198,1287 10.561,1291 37.981,1295 0.857,1297 5.835,1300 1.578,1301 -4.963,1305 37.605,1306 90.162,1307 189.374,1308 243.38,1309 282.399,1310 292.009,1311 292.009,1312 76.821,1313 8.658,1314 59.5,1315 59.5,1316 31,1317 12.851,1318 4.7,1319 3.858,1320 52.373,1321 171,1322 158,1323 0.148,1324 223.912,1325 402.52,1326 538.106,1327 82003,1328 5.6,1329 24.579,1330 0.702,1331 0.525,1332 22.079,1333 18.38,1334 16.792,1335 0.431,1336 0.28,1337 10.73,1338 16.079,1339 10.574,1340 8.647,1341 15.581,1342 10.912,1343 16.086,1344 0.282,1345 0.144,1346 14.176,1347 8.219,1348 13.559,1349 0.181,1350 0.079,1351 12.429,1352 5.903,1353 10.687,1354 0.114,1355 0.043,1356 10.147,1357 4.087,1358 8.92,1359 0.073,1360 0.023,1361 8.516,1362 2.886,1363 0.237,1364 106.093,1365 0.196,1366 32.389,1367 0.396,1368 192,1369 766.83,1370 221.013,1371 657.04,1372 864.76,1373 610,1374 228,1375 607.009,1376 252.745,1377 596.804,1378 897.75,1379 561,1380 6.4}
{0 CHEMBL2333367,1 1.75,2 10.24,3 3.458,4 11.956,5 84.952,6 8.957,7 0.444,8 3.792,9 3.877,10 3.489,11 3.331,12 5.043,13 3.359,14 4.356,15 4.484,16 3.947,17 3.695,18 6.081,19 3.725,20 4.597,21 4.743,22 4.04,23 3.869,24 6.175,25 3.874,26 4.662,27 4.836,28 3.867,29 3.81,30 6.006,31 3.794,32 4.61,33 4.809,34 3.762,35 3.704,36 6.008,37 3.688,38 4.444,39 4.676,40 3.488,41 3.562,42 5.659,43 3.499,44 4.232,45 4.446,46 3.431,47 3.374,48 5.575,49 3.337,50 4.038,51 4.201,52 3.434,53 3.21,54 5.835,55 3.199,56 0.211,57 0.74,58 5.008,59 3.831,60 39.474,61 3.755,62 0.959,63 1.524,64 12.587,65 6.21,66 152.993,67 6.143,68 0.968,69 1.296,70 17.159,71 8.089,72 158.813,73 8.926,74 0.914,75 1.339,76 20.424,77 8.542,78 129.458,79 9.196,80 1.066,81 1.371,82 21.901,83 8.25,84 157.241,85 8.747,86 0.776,87 1.089,88 19.794,89 7.591,90 123.931,91 9.078,92 0.639,93 0.801,94 15.737,95 5.903,96 103.32,97 7.419,98 0.794,99 0.773,100 11.072,101 4.493,102 128.26,103 5.156,104 28,105 39,106 0.312,107 0.611,108 0.737,109 0.828,110 0.856,111 0.856,112 3.267,113 0.842,114 -4.09,115 -4.04,116 -3.82,119 46.2,125 3,132 1,142 8,143 3,144 1,157 1,158 1,172 10,174 1,175 6,183 10,186 1,187 9,195 5,199 10,207 1,211 1,212 6,220 3,224 4,232 6,236 2,237 3,245 8,250 1,258 7,263 1,271 4,275 863,276 16.317,277 16.317,278 16.317,279 16.317,280 16.317,281 14.721,282 16.125,283 9.397,284 16.758,285 13.278,286 13.278,287 13.278,288 13.278,289 13.278,290 10.748,291 18.426,292 4.421,293 14.025,294 3.535,295 1.853,296 1.148,297 0.635,298 0.481,299 0.481,300 3.944,303 1,304 1,305 1,306 541,307 3.808,311 149.234,312 73.254,316 122.527,318 1.69,319 50.368,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 256,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 3.929,338 3.904,339 11.845,340 3.063,341 4.282,342 3.706,343 6.422,344 3.99,345 3.02,346 3.811,347 1.23,348 9.828,349 2.914,350 4.147,351 3.155,352 6.121,353 3.764,354 2.787,355 3.562,356 0.86,357 8.947,358 2.715,359 3.687,360 3.127,361 5.576,362 3.336,363 2.399,364 2.933,365 0.766,366 7.299,367 2.195,368 3.232,369 2.373,370 5.184,371 2.949,372 1.996,373 2.372,374 0.521,375 6.149,376 1.871,377 2.951,378 2.203,379 4.418,380 2.612,381 1.685,382 2.105,384 4.37,385 1.552,386 2.875,387 2.118,388 3.953,389 2.426,390 1.428,391 2.008,393 3.107,394 1.421,395 2.554,396 1.667,397 3.693,398 2.166,399 1.167,400 1.5,402 2.772,403 1.146,404 2.5,405 1.476,406 3.583,407 2,408 1,409 1.464,411 2.275,412 1,413 2.344,414 1.191,415 3.414,416 1.882,417 0.892,418 1.167,420 2.183,421 0.862,422 2.088,423 1,424 3.285,425 1.659,426 0.628,427 0.885,428 1.578,429 0.635,430 1.081,431 0.51,432 2.666,433 0.797,434 -0.165,435 -0.186,436 -0.393,437 -0.154,438 0.961,439 0.51,440 2.579,441 0.738,442 -0.189,443 -0.215,445 -0.478,446 -0.177,447 0.958,448 0.291,449 2.361,450 0.488,451 -0.56,452 -0.804,454 -1.265,455 -0.58,456 0.5,457 0.176,458 2,459 0.052,460 -0.925,461 -1,463 -2.196,464 -0.7,465 11.257,466 0.45,467 0.813,468 0.033,469 31.5,470 1.26,471 15.5,472 0.62,473 16,474 0.64,475 18.228,476 0.729,477 27.743,478 0.711,479 26.697,480 1.068,481 6.684,482 0.267,483 5.175,484 0.207,485 0.135,486 0.044,487 0.302,490 3,493 0.577,494 0.94,495 0.581,496 1.065,497 0.568,498 0.916,499 0.557,500 0.684,501 0.718,502 0.918,503 0.437,504 0.91,505 0.532,506 0.76,507 0.754,508 1.036,509 0.404,510 1.033,511 0.868,512 0.845,513 1.049,514 1.103,515 0.801,516 1.163,517 1.03,518 0.92,519 1.128,520 0.96,521 1.048,522 1.045,523 0.781,524 0.81,525 0.978,526 0.997,527 0.786,528 1.06,529 0.541,530 0.626,531 0.689,532 0.856,533 0.511,534 0.871,535 0.454,536 0.617,537 0.82,538 0.951,539 0.516,540 1.069,541 6,542 0.174,543 3.778,544 2,545 1.334,546 0.719,547 0.557,548 0.34,549 0.219,550 0.182,551 6940,552 27752,553 2.005,554 35.9,556 14,564 1.677,565 1.84,566 3.326,567 -0.711,569 1,571 1,573 68.259,574 1.75,575 3.432,576 4.138,577 4.651,578 4.805,579 4.805,580 2.774,581 4.084,582 4.617,583 3.504,584 1051.23,585 7.969,586 12702.6,587 1,588 1,589 1,590 1,591 206.131,592 1.673,593 4.546,594 0.222,595 0.012,596 0.097,597 0.047,598 0.038,599 0.023,600 0.023,601 0.015,602 0.01,603 0.011,604 0.498,605 0.67,606 1,607 1.022,608 120.743,609 -0.025,610 -0.072,611 0.027,612 -0.055,613 -0.062,614 -0.009,615 0.275,616 0.306,617 0.074,618 0.054,619 0.313,620 -0.013,621 0.171,622 -0.023,623 0.078,624 -0.083,625 0.241,626 -0.068,627 -0.126,628 -0.169,629 -0.137,630 -0.171,631 -0.06,632 -0.172,633 -0.13,634 -0.044,635 -0.125,636 -0.005,637 -0.118,638 -0.036,639 -0.036,640 -0.008,641 0.047,642 -0.015,643 -0.045,644 0.043,645 0.121,646 -0.036,647 0.31,648 0.095,649 0.119,650 0.226,651 0.445,652 0.255,653 0.121,654 0.01,655 0.37,656 -0.098,657 6.183,658 5.604,659 0.68,660 21.421,661 1.043,662 1.14,663 2.864,664 8.2,665 0.674,666 3.332,667 3.689,668 3.912,669 4.078,670 4.277,671 4.369,672 4.5,673 4.564,674 4.533,675 4.595,676 6.183,677 0.68,678 349.33,679 3.332,680 4.89,681 5.733,682 6.613,683 7.471,684 8.351,685 9.214,686 10.093,687 10.958,688 11.836,689 2.6,696 1,704 8,709 4,711 12,716 1,719 1,729 1,731 39,733 14,734 2,735 27,737 41,738 18,739 12,740 4,741 8,742 2,746 3,747 4,752 1,757 1,761 14,762 4,766 2,771 2,775 2,777 1,778 1,779 3,781 14,782 7,784 7,790 1,794 0.667,795 3,812 2,813 1,817 1,840 2,846 3,848 25,854 3,856 1,859 1,860 1,869 3,870 7.7,873 2,875 1,877 13.583,878 7.045,879 5.361,880 2.246,881 2.308,882 1.324,883 0.978,884 4.714,885 9.435,886 3.584,887 4.143,888 4.663,889 5.086,890 5.57,891 5.723,892 6.052,893 6.142,894 6.217,895 6.529,896 0.857,897 43,898 10.096,900 5.19,901 8.51,902 16.707,904 13.665,905 3.01,906 75.25,910 164.795,911 117.012,912 3.124,914 61.29,915 44.88,917 117.012,918 226.085,919 48.005,921 11.928,922 75.81,923 60.128,924 70.68,926 164.795,927 7.76,928 164.795,929 120.136,930 106.17,933 164.795,934 106.17,937 19.688,938 100.448,941 209.676,942 64.414,943 117.012,946 172.555,947 33.442,948 78.934,950 106.17,951 164.795,952 109.294,953 117.012,955 0.597,956 0.343,957 0.164,958 0.085,959 19,960 9,961 0.049,962 2,963 1,964 1.118,965 3.594,966 204.814,967 0.118,968 17,969 107.342,974 17.346,975 6.794,976 3.789,978 109.294,979 11.863,984 1.299,987 391.101,988 35,993 23.799,997 -2.255,999 40.691,1000 44.467,1001 0.331,1002 0.649,1003 0.783,1004 0.88,1005 0.909,1006 0.909,1007 4.844,1008 1.167,1009 5.771,1010 3.107,1011 4.369,1012 4.828,1013 3.368,1014 6.624,1015 4.274,1016 6.065,1017 1,1018 7.376,1019 2.772,1020 4.205,1021 4.691,1022 3.911,1023 7.818,1024 3.965,1025 7.388,1026 0.892,1027 9.094,1028 2.275,1029 6.066,1030 6.959,1031 5.547,1032 10.818,1033 5.857,1034 8.746,1035 0.628,1036 10.879,1037 2.183,1038 6.686,1039 7.579,1040 6.781,1041 12.775,1042 6.34,1043 10.135,1044 -0.165,1045 12.705,1046 1.578,1047 8.089,1048 9.373,1049 8.186,1050 15.381,1051 7.742,1052 11.545,1053 -0.189,1054 14.559,1055 -0.393,1056 9.029,1057 10.327,1058 9.529,1059 17.622,1060 8.564,1061 12.971,1062 -0.56,1063 16.433,1064 -0.478,1065 10.276,1066 11.918,1067 10.898,1068 20.114,1069 9.778,1070 3.349,1071 -0.925,1072 18.322,1073 -1.265,1074 11.352,1075 13.039,1076 12.257,1077 22.474,1078 10.749,1079 3.02,1080 11.845,1081 20.223,1082 -2.196,1083 12.547,1084 14.527,1085 13.62,1086 24.935,1087 11.888,1088 2.787,1089 9.828,1090 22.133,1091 3.929,1092 13.681,1093 15.74,1094 14.981,1095 27.348,1096 12.926,1097 2.399,1098 8.947,1099 24.052,1100 3.811,1101 14.862,1102 17.171,1103 16.343,1104 29.803,1105 14.036,1106 1.996,1107 7.299,1108 25.977,1109 3.562,1110 16.023,1111 18.438,1112 17.705,1113 32.242,1114 15.104,1115 1.685,1116 6.149,1117 27.907,1118 2.933,1119 17.204,1120 19.835,1121 19.067,1122 34.699,1123 16.204,1124 1.428,1125 4.37,1126 29.843,1127 2.372,1128 18.379,1129 21.135,1130 20.429,1131 37.151,1132 17.287,1133 6821,1134 13855,1135 17.394,1136 26.273,1137 41.801,1138 42.113,1139 42.106,1140 41.03,1141 40.705,1142 51.47,1143 14.562,1144 120.706,1145 38.747,1146 5.42,1147 6.572,1148 6.87,1149 5.306,1150 5.349,1151 6.929,1152 5.553,1153 19.306,1154 5.063,1155 14.163,1156 1.548,1157 1.56,1158 1.559,1159 1.52,1160 1.508,1161 1.906,1162 0.539,1163 4.471,1164 1.435,1165 4.006,1166 4.03,1167 3.958,1168 3.915,1169 8.516,1170 3.92,1171 3.91,1172 3.93,1173 3.86,1174 3.839,1175 7.999,1176 3.839,1177 3.611,1178 3.648,1179 3.597,1180 3.402,1181 7.999,1182 3.43,1183 3.478,1184 3.518,1185 3.404,1186 3.232,1187 7.428,1188 3.271,1189 3.204,1190 3.251,1191 3.106,1192 2.977,1193 7.418,1194 2.985,1195 3.006,1196 3.04,1197 2.901,1198 2.806,1199 4.852,1200 2.839,1201 2.854,1202 2.925,1203 2.716,1204 2.735,1205 4.664,1206 2.715,1207 2.834,1208 2.887,1209 2.687,1210 2.694,1211 4.338,1212 2.687,1213 0.167,1214 0.169,1215 0.266,1216 0.157,1217 0.124,1218 4.5,1219 0.146,1220 4.572,1221 0.145,1222 7.182,1223 0.439,1224 4.242,1225 0.113,1226 3.349,1227 3.929,1228 3.904,1229 11.845,1230 3.063,1231 1.935,1232 1.915,1233 2.029,1234 2.034,1235 1.186,1236 2.03,1237 1.889,1238 1.868,1239 1.997,1240 1.978,1241 1.105,1242 1.984,1243 1.567,1244 1.514,1245 1.784,1246 1.811,1247 1.036,1248 1.799,1249 1.315,1250 1.301,1251 1.453,1252 1.613,1253 0.636,1254 1.528,1255 1.163,1256 1.108,1257 1.33,1258 1.401,1259 0.361,1260 1.404,1261 0.897,1262 0.868,1263 1.181,1264 1.15,1265 0.218,1266 1.121,1267 0.886,1268 0.821,1269 1.132,1270 1.062,1271 0.188,1272 1.107,1273 0.827,1274 0.781,1275 0.972,1276 1.033,1277 0.069,1278 1.047,1279 4.007,1281 5.352,1283 6.88,1284 2.708,1285 8.484,1286 5.198,1287 10.123,1291 37.296,1295 1.03,1297 5.589,1300 1.562,1301 -4.933,1305 26.53,1306 68.259,1307 133.866,1308 161.376,1309 181.376,1310 187.376,1311 187.376,1312 62.258,1313 7.126,1314 46.61,1315 46.61,1316 19,1317 12.376,1318 3.907,1319 3.17,1320 41.918,1321 93,1322 75,1323 0.223,1324 160.211,1325 295.54,1326 382.674,1327 11500,1328 7.7,1329 18.027,1330 0.721,1331 0.522,1332 15.527,1333 13.046,1334 11.859,1335 0.439,1336 0.281,1337 7.41,1338 11.213,1339 7.331,1340 5.981,1341 10.648,1342 7.576,1343 11.42,1344 0.293,1345 0.143,1346 9.509,1347 5.587,1348 9.199,1349 0.188,1350 0.079,1351 8.068,1352 3.891,1353 6.864,1354 0.118,1355 0.045,1356 6.324,1357 2.61,1358 5.437,1359 0.077,1360 0.025,1361 5.033,1362 1.773,1363 0.35,1364 76.043,1365 0.24,1366 24.249,1367 0.61,1368 132,1369 629.185,1370 159.293,1371 515.794,1372 658.76,1373 476,1374 154,1375 444.544,1376 176.747,1377 428.034,1378 647.96,1379 401,1380 5}
{0 CHEMBL2333368,1 1.397,2 8.619,3 2.875,4 8.263,5 82.858,6 7.469,7 0.708,8 3.726,9 3.834,10 3.321,11 3.345,12 4.781,13 3.318,14 4.248,15 4.399,16 3.655,17 3.737,18 5.256,19 3.691,20 4.522,21 4.711,22 3.77,23 3.901,24 5.488,25 3.828,26 4.519,27 4.739,28 3.494,29 3.807,30 5.404,31 3.682,32 4.359,33 4.608,34 3.316,35 3.643,36 5.182,37 3.505,38 4.174,39 4.419,40 3.181,41 3.442,42 5.019,43 3.318,44 4.023,45 4.246,46 3.13,47 3.314,48 4.958,49 3.218,50 3.93,51 4.149,52 2.94,53 3.207,54 4.792,55 3.081,56 0.026,57 0.502,58 7.277,59 3.345,60 5.456,61 4.302,62 0.109,63 0.843,64 13.589,65 5.586,66 12.9,67 7.179,68 0.194,69 1.08,70 19.164,71 7.8,72 21.623,73 10.314,74 0.179,75 1.067,76 19.946,77 8.011,78 23.288,79 10.732,80 0.103,81 0.923,82 17.22,83 7.064,84 17.067,85 9.956,86 0.08,87 0.757,88 14.33,89 5.854,90 14.359,91 8.178,92 0.19,93 0.66,94 12.257,95 4.661,96 16.996,97 6.285,98 0.048,99 0.594,100 10.719,101 4.471,102 10.103,103 6.143,105 33,106 0.249,107 0.592,108 0.776,109 0.892,110 0.901,111 0.901,112 3.104,113 0.902,114 -3.61,115 -3.58,116 -3.42,119 48.6,125 3,142 8,143 4,144 1,145 1,146 1,172 11,175 5,180 1,183 13,187 6,190 1,192 1,195 12,199 4,204 2,207 8,212 3,217 2,220 7,224 1,229 1,232 7,236 1,237 1,240 1,242 1,245 6,250 1,255 1,258 2,263 2,268 2,275 507,276 14.792,277 14.792,278 14.792,279 14.792,280 14.792,281 12.865,282 10.269,283 8.903,284 15.045,285 11.897,286 11.897,287 11.897,288 11.897,289 11.897,290 8.967,291 13.644,292 4.264,293 12.295,294 3.812,295 1.893,296 0.865,297 0.216,298 0.162,299 0.162,300 3.815,303 1,304 1,305 1,306 408,307 1.732,311 128.533,312 54.289,315 75.635,316 81.035,318 1.351,319 10.776,320 1,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 44,331 181,332 4.463,333 3.206,334 6.336,335 4.026,336 3.039,337 4.366,338 0.86,339 9.736,340 3.002,341 4.27,342 2.956,343 6.157,344 3.831,345 2.856,346 3.953,347 0.657,348 9.124,349 2.785,350 3.857,351 2.589,352 5.908,353 3.492,354 2.512,355 3.303,357 8.247,358 2.459,359 3.118,360 2.166,361 4.532,362 2.639,363 1.686,364 2.427,366 4.628,367 1.611,368 3.059,369 1.936,370 4.432,371 2.613,372 1.67,373 2.317,375 4.412,376 1.572,377 2.948,378 1.618,379 4.282,380 2.585,381 1.618,382 2.083,384 4.031,385 1.556,386 2.813,387 1.555,388 3.719,389 2.479,390 1.504,391 1.952,393 3.283,394 1.454,395 2.615,396 1.314,397 3.608,398 2.281,399 1.292,400 1.622,402 2.94,403 1.276,404 2.17,405 1.091,406 3.268,407 1.8,408 0.864,409 1.049,411 1.954,412 0.802,413 2.061,414 0.667,415 3.163,416 1.626,417 0.658,418 0.953,420 1.542,421 0.636,422 1.192,423 0.214,424 2.721,425 0.873,426 -0.075,427 -0.087,428 -0.181,429 -0.071,430 0.953,431 0.164,432 2.39,433 0.715,434 -0.214,435 -0.241,436 -0.503,437 -0.197,438 0.91,439 -0.414,440 2.267,441 0.494,442 -0.476,443 -0.638,445 -1.165,446 -0.46,447 0.882,448 -0.618,449 2.239,450 0.36,451 -0.618,452 -0.927,454 -1.599,455 -0.603,456 0.51,457 -0.771,458 2,459 0.104,460 -0.879,461 -1.196,463 -2.426,464 -0.863,465 10.133,466 0.483,467 0.359,468 0.017,469 30,470 1.429,471 16.5,472 0.786,473 13.5,474 0.643,475 13.293,476 0.633,477 21.067,478 0.569,479 18.863,480 0.898,481 5.986,482 0.285,483 4.413,484 0.21,487 0.296,493 0.888,494 1.09,495 0.764,496 0.944,497 0.86,498 0.855,499 1.346,500 0.99,501 0.97,502 0.916,503 1.125,504 0.901,505 1.144,506 1.004,507 0.947,508 0.962,509 0.958,510 0.943,511 1.226,512 1.05,513 1.17,514 1.068,515 1.241,516 1.112,517 0.558,518 0.991,519 0.952,520 1.009,521 0.825,522 1.014,523 0.661,524 1.035,525 0.887,526 1.018,527 0.708,528 0.981,529 1.119,530 0.785,531 1.009,532 0.864,533 1.138,534 0.915,535 0.776,536 1.333,537 1.099,538 1.311,539 0.986,540 1.251,541 3,542 0.015,543 2.222,544 0.75,545 1.059,546 0.545,547 0.187,548 0.161,549 0.119,550 0.047,551 4719,552 10677,553 2.246,554 43.2,556 14,558 1,559 1,564 1.63,565 2.211,566 3.138,567 -0.385,569 1,571 1,573 51.691,574 1.397,575 3.317,576 4.345,577 4.993,578 5.047,579 5.047,580 2.547,581 4.202,582 4.368,583 3.225,584 677.25,585 7.471,586 6992.94,587 1,588 1,589 1,590 1,591 192.75,592 0.863,593 4.366,594 0.125,595 0.003,596 0.067,597 0.021,598 0.041,599 0.025,600 0.01,601 0.009,602 0.008,603 0.005,604 0.313,605 1,606 1,608 93.935,609 -0.013,610 -0.047,611 0.066,613 -0.032,614 0.036,615 -0.162,616 0.051,617 -0.068,618 0.022,619 -0.117,620 -0.004,621 0.026,622 -0.017,623 0.003,624 0.001,625 0.084,626 -0.002,627 -0.176,628 -0.088,629 -0.199,630 -0.095,631 -0.203,632 -0.144,633 0.015,634 -0.031,635 0.013,636 -0.022,637 -0.02,638 -0.006,639 0.063,640 -0.086,641 0.092,642 -0.029,643 0.143,644 0.025,645 0.123,646 0.224,647 -0.012,648 0.09,649 0.004,650 0.033,651 0.031,652 -0.377,653 -0.145,654 -0.34,655 -0.084,656 -0.275,657 0.774,658 2.231,659 1,660 14.354,661 0.992,662 1.111,663 2.383,664 5.678,665 0.697,666 3.219,667 3.526,668 3.829,669 4.094,670 4.382,671 4.477,672 4.575,673 4.7,674 4.852,675 4.89,676 5.146,677 0.661,678 276.36,679 3.219,680 4.745,681 5.602,682 6.472,683 7.344,684 8.22,685 9.097,686 9.975,687 10.854,688 11.734,689 5.4,691 1,699 1,703 2,704 9,705 1,709 4,711 17,729 1,731 37,733 17,734 2,735 24,737 40,738 18,739 15,740 5,741 7,746 4,747 6,761 15,762 3,777 1,778 1,781 16,782 3,783 1,784 3,790 2,794 0.5,795 1,805 1,812 3,813 1,816 1,817 1,835 1,840 2,848 21,854 3,855 1,856 1,870 2.7,875 1,877 9.5,878 6.617,879 4.583,880 2.249,881 3.477,882 1.475,883 1.052,884 3.149,885 10.796,886 3.512,887 4.143,888 4.792,889 5.409,890 6.043,891 6.374,892 6.839,893 7.29,894 7.76,895 8.001,896 0.833,897 36,898 7.745,900 3.304,901 7.476,902 15.205,904 12.767,905 1.976,906 41.5,907 0.001,910 176.567,911 113.178,912 34.796,914 11,917 113.178,918 187.566,919 34.796,921 8.804,922 93.821,923 28.557,924 39.565,926 164.795,928 176.567,929 147.975,930 11,933 176.567,934 11,937 38.006,938 93.183,939 16.786,941 176.567,942 45.796,943 113.178,946 176.567,947 28.321,948 84.857,949 18.011,950 27.785,951 176.567,952 45.796,953 113.178,955 0.574,956 0.34,957 0.189,958 0.108,959 18,960 6,961 0.025,962 1,963 2,964 1.19,965 3.447,966 169.011,967 0.19,968 21,969 92.239,974 12.515,975 5.284,976 2.419,977 2.195,978 45.796,979 18.684,980 4.541,984 4.51,986 18.011,987 335.541,988 32.5,999 36.716,1000 41.112,1001 0.268,1002 0.637,1003 0.834,1004 0.958,1005 0.969,1006 0.969,1007 4.721,1008 1.292,1009 5.557,1010 3.283,1011 4.205,1012 4.828,1013 1.207,1014 6.344,1015 4.148,1016 5.917,1017 0.864,1018 7.091,1019 2.94,1020 3.611,1021 4.559,1023 7.168,1024 3.561,1025 7.218,1026 0.658,1027 8.728,1028 1.954,1029 5.765,1030 7.085,1031 0.903,1032 10.274,1033 5.671,1034 8.56,1035 -0.075,1036 10.427,1037 1.542,1038 6.043,1039 7.691,1041 11.941,1042 5.954,1043 9.936,1044 -0.214,1045 12.166,1046 -0.181,1047 7.603,1048 9.638,1049 0.678,1050 14.513,1051 7.482,1052 11.336,1053 -0.476,1054 13.932,1055 -0.503,1056 8.306,1057 10.665,1059 16.51,1060 8.182,1061 12.755,1062 -0.618,1063 15.715,1064 -1.165,1065 9.601,1066 12.352,1067 0.512,1068 18.887,1069 9.454,1070 3.039,1071 -0.879,1072 17.51,1073 -1.599,1074 10.508,1075 13.59,1077 21.023,1078 10.353,1079 2.856,1080 9.736,1081 19.313,1082 -2.426,1083 11.685,1084 15.155,1085 0.387,1086 23.322,1087 11.512,1088 2.512,1089 9.124,1090 21.123,1091 4.366,1092 12.689,1093 16.499,1095 25.519,1096 12.504,1097 1.686,1098 8.247,1099 22.937,1100 3.953,1101 13.815,1102 18.006,1103 0.293,1104 27.789,1105 13.614,1106 1.67,1107 4.628,1108 24.754,1109 3.303,1110 14.864,1111 19.406,1113 30.014,1114 14.651,1115 1.618,1116 4.412,1117 26.573,1118 2.427,1119 15.97,1120 20.886,1121 0.221,1122 32.273,1123 15.742,1124 1.504,1125 4.031,1126 28.394,1127 2.317,1128 17.041,1129 22.315,1131 34.514,1132 16.802,1133 4341,1134 6620,1135 16.989,1136 25.796,1137 35.665,1138 35.752,1139 35.81,1140 35.411,1141 35.4,1142 48.053,1143 3.035,1144 99.795,1145 34.305,1146 5.347,1147 5.206,1148 6.092,1149 5.076,1150 5.039,1151 7.366,1152 1.72,1153 16.255,1154 5.002,1156 1.486,1157 1.49,1158 1.492,1159 1.475,1160 1.475,1161 2.002,1162 0.126,1163 4.158,1164 1.429,1165 4.096,1166 4.121,1167 4.055,1168 4.035,1169 5.012,1170 4.037,1171 3.915,1172 3.942,1173 3.859,1174 3.837,1175 4.82,1176 3.838,1177 3.567,1178 3.628,1179 3.453,1180 3.414,1181 4.421,1182 3.417,1183 3.363,1184 3.416,1185 3.251,1186 3.239,1187 4.253,1188 3.233,1189 3.147,1190 3.217,1191 2.984,1192 2.959,1193 4.091,1194 2.951,1195 2.993,1196 3.054,1197 2.894,1198 2.859,1199 3.905,1200 2.859,1201 2.815,1202 2.853,1203 2.722,1204 2.711,1205 3.582,1206 2.708,1207 2.699,1208 2.782,1209 2.524,1210 2.454,1211 3.471,1212 2.461,1213 0.186,1214 0.134,1215 0.264,1216 0.168,1217 0.127,1218 4.463,1219 0.182,1220 3.206,1221 0.036,1222 6.336,1223 0.406,1224 4.026,1225 0.125,1226 3.039,1227 4.366,1228 0.86,1229 9.736,1230 3.002,1231 2.06,1232 2.038,1233 2.134,1234 2.134,1235 1.262,1236 2.136,1237 1.876,1238 1.856,1239 1.976,1240 1.96,1241 1.132,1242 1.966,1243 1.54,1244 1.466,1245 1.798,1246 1.803,1247 1.036,1248 1.806,1249 1.43,1250 1.396,1251 1.588,1252 1.56,1253 0.724,1254 1.571,1255 1.115,1256 1.05,1257 1.397,1258 1.326,1259 0.528,1260 1.352,1261 0.983,1262 0.926,1263 1.209,1264 1.154,1265 0.243,1266 1.176,1267 0.829,1268 0.783,1269 1.077,1270 1.012,1271 0.165,1272 1.037,1273 0.616,1274 0.549,1275 0.922,1276 0.809,1277 0.073,1278 0.851,1279 3.892,1281 5.198,1283 6.713,1284 2.708,1285 8.323,1286 5.094,1287 9.981,1295 2.468,1296 3.371,1297 5.731,1305 24.445,1306 51.691,1307 122.711,1308 160.75,1309 184.75,1310 186.75,1311 186.75,1312 20.862,1313 7.32,1314 34.15,1315 34.15,1316 25,1317 12.271,1318 4.17,1319 3.248,1320 28.055,1321 65,1322 56,1323 0.215,1324 148.025,1325 247.49,1326 352.94,1327 14909,1329 14.071,1330 0.67,1331 0.556,1332 14.071,1333 11.673,1334 10.399,1335 0.433,1336 0.301,1337 7.143,1338 10.127,1339 6.999,1340 5.772,1341 10.399,1342 7.217,1343 9.109,1344 0.276,1345 0.16,1346 9.109,1347 5.264,1348 8.077,1349 0.179,1350 0.085,1351 8.077,1352 3.836,1353 6.852,1354 0.116,1355 0.046,1356 6.852,1357 2.723,1358 5.938,1359 0.075,1360 0.025,1361 5.938,1362 1.967,1363 0.33,1364 64.256,1365 0.243,1366 20.656,1367 0.606,1368 114,1369 283.714,1370 120.651,1371 279.359,1372 396.76,1373 266,1374 135,1375 300.046,1376 142.207,1377 307.124,1378 451.32,1379 291,1380 5}
{0 CHEMBL2333369,1 1.4,2 11.483,3 4.334,4 18.787,5 112.596,6 7.765,7 0.697,8 4,9 4.098,10 3.625,11 3.64,12 5.11,13 3.616,14 4.516,15 4.655,16 3.978,17 4.032,18 5.591,19 3.993,20 4.802,21 4.973,22 4.114,23 4.203,24 5.854,25 4.144,26 4.869,27 5.066,28 3.963,29 4.149,30 5.926,31 4.064,32 4.785,33 4.992,34 3.905,35 4.086,36 5.843,37 3.995,38 4.727,39 4.947,40 3.817,41 4.03,42 5.68,43 3.928,44 4.678,45 4.892,46 3.791,47 3.971,48 5.663,49 3.88,50 4.562,51 4.767,52 3.661,53 3.871,54 5.549,55 3.769,56 0.012,57 0.622,58 8.746,59 4.363,60 5.672,61 5.43,62 0.16,63 1.071,64 16.545,65 7.2,66 14.075,67 8.956,68 0.196,69 1.404,70 23.866,71 10.192,72 26.008,73 12.942,74 0.302,75 1.494,76 27.654,77 10.944,78 49.785,79 13.535,80 0.312,81 1.379,82 25.472,83 10.337,84 48.073,85 13.4,86 0.152,87 1.29,88 24.228,89 10.239,90 30.667,91 13.6,92 0.285,93 1.229,94 23.413,95 9.504,96 32.489,97 12.292,98 0.118,99 1.08,100 20,101 8.628,102 25.741,103 11.266,104 2,105 46,106 0.232,107 0.519,108 0.692,109 0.841,110 0.883,111 0.883,112 3.408,113 0.885,114 -4.72,115 -4.64,116 -4.36,119 51,125 3,142 13,143 5,144 1,145 1,146 1,158 1,172 17,174 1,175 8,183 19,186 1,187 11,195 15,199 11,207 9,211 1,212 9,220 10,224 6,232 13,236 2,237 6,245 15,250 4,258 12,262 1,263 6,271 9,275 1321,276 20.223,277 20.223,278 20.223,279 20.223,280 20.223,281 17.477,282 12.403,283 12.027,284 20.491,285 16.325,286 16.325,287 16.325,288 16.325,289 16.325,290 12.183,291 15.655,292 5.736,293 16.738,294 4.215,295 2.483,296 1.438,297 0.538,298 0.286,299 0.286,300 4.126,304 1,305 1,306 748,307 2.646,311 293.558,312 78.81,315 119.699,316 123.72,318 1.741,319 20.65,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 61,331 333,332 4.466,333 3.706,334 6.432,335 4.053,336 3.072,337 4.366,338 1.23,339 9.927,340 3.016,341 4.309,342 3.194,343 6.317,344 3.951,345 2.967,346 3.96,347 0.86,348 9.602,349 2.917,350 4.197,351 2.956,352 6.146,353 3.796,354 2.811,355 3.712,356 0.521,357 9.06,358 2.765,359 3.859,360 2.593,361 5.908,362 3.493,363 2.511,364 3.307,366 8.251,367 2.462,368 3.48,369 2.359,370 5.226,371 3.128,372 2.167,373 2.752,375 6.323,376 2.078,377 3.118,378 2.148,379 4.529,380 2.613,381 1.673,382 2.427,384 4.613,385 1.579,386 3.057,387 2.059,388 4.422,389 2.586,390 1.618,391 2.314,393 4.366,394 1.557,395 2.956,396 1.618,397 4.272,398 2.567,399 1.568,400 2.099,402 3.959,403 1.556,404 2.842,405 1.563,406 3.911,407 2.49,408 1.502,409 1.963,411 3.346,412 1.476,413 2.779,414 1.33,415 3.609,416 2.295,417 1.303,418 1.889,420 2.948,421 1.291,422 2.5,423 1.323,424 3.466,425 2.04,426 1.068,427 1.5,428 2.473,429 1.029,430 2.409,431 1.205,432 3.291,433 2,434 1,435 1.329,436 2.136,437 1,438 2.173,439 1,440 3.247,441 1.702,442 0.697,443 1.004,445 1.683,446 0.691,447 2.095,448 0.67,449 3.166,450 1.624,451 0.646,452 0.91,454 1.536,455 0.63,456 1.247,457 0.336,458 2.779,459 0.93,460 -0.032,461 -0.038,463 -0.08,464 -0.03,465 13.967,466 0.482,467 0.568,468 0.02,469 42.5,470 1.466,471 24,472 0.828,473 18.5,474 0.638,475 20.254,476 0.698,477 28.633,478 0.584,479 31.404,480 1.083,481 8.56,482 0.295,483 5.716,484 0.197,485 0.024,487 0.315,493 0.704,494 1.111,495 0.714,496 0.95,497 0.573,498 0.853,499 1.02,500 1.003,501 0.92,502 0.918,503 0.693,504 0.902,505 1.049,506 1.112,507 0.951,508 1.041,509 0.838,510 0.994,511 1.568,512 1.062,513 1.194,514 1.031,515 1.762,516 1.062,517 1.039,518 0.992,519 1.031,520 0.993,521 1.364,522 1.005,523 0.856,524 0.998,525 0.934,526 1.017,527 0.857,528 0.991,529 1.121,530 0.818,531 0.974,532 0.896,533 0.842,534 0.917,535 0.954,536 1.156,537 1.024,538 1.145,539 0.846,540 1.109,541 4.5,542 0.094,543 3.333,544 1.563,545 1.49,546 0.844,547 0.46,548 0.353,549 0.266,550 0.164,551 11616,552 28168,553 2.215,554 40.8,556 19,558 1,564 1.72,565 2.148,566 3.513,567 -0.853,569 1,573 68.586,574 1.4,575 3.132,576 4.177,577 5.077,578 5.329,579 5.329,580 2.94,581 4.582,582 4.83,583 3.625,584 1471.66,585 8.413,586 19585.8,588 1,590 1,591 275.121,592 1.091,593 4.82,594 0.136,595 0.004,596 0.072,597 0.031,598 0.035,599 0.021,600 0.012,601 0.01,602 0.009,603 0.006,604 0.337,605 0.5,606 0.88,607 0.335,608 146.721,609 0.009,610 -0.111,611 0.067,612 -0.031,613 -0.03,614 0.014,615 -0.025,616 0.036,617 -0.053,618 0.001,619 -0.031,620 -0.023,621 0.016,622 -0.114,623 -0.018,624 -0.091,625 0.024,626 -0.065,627 -0.217,628 -0.064,629 -0.19,630 -0.069,631 -0.203,632 -0.118,633 0.049,634 -0.002,635 -0.038,636 -0.019,637 -0.004,638 -0.032,639 0.007,640 -0.04,641 0.057,642 -0.02,643 0.021,644 0.018,645 0.023,646 0.157,647 0.038,648 0.091,649 0.006,650 0.07,651 -0.015,652 -0.21,653 -0.047,654 -0.155,655 0.001,656 -0.116,657 1.639,658 5.924,659 0.931,660 26.992,661 0.996,662 1.105,663 3.491,664 12.187,665 0.71,666 3.526,667 3.85,668 4.159,669 4.419,670 4.7,671 4.804,672 4.963,673 5.118,674 5.288,675 5.407,676 6.636,677 0.678,678 380.47,679 3.526,680 5.069,681 5.932,682 6.808,683 7.684,684 8.564,685 9.445,686 10.327,687 11.21,688 12.094,689 4.1,696 1,699 1,703 2,704 14,705 1,709 5,711 23,719 1,729 1,731 49,733 24,734 3,735 33,737 53,738 25,739 21,740 6,741 12,742 1,746 5,747 7,761 22,762 3,766 1,771 1,775 1,778 1,781 20,782 4,784 4,790 2,794 0.6,795 2,805 1,812 4,813 1,816 1,817 1,840 3,848 29,854 3,856 1,859 1,870 4.1,873 1,875 1,877 13.5,878 8.9,879 6.306,880 2.964,881 4.305,882 1.524,883 1.043,884 4.649,885 12.518,886 3.839,887 4.46,888 5.089,889 5.67,890 6.275,891 6.552,892 7.018,893 7.453,894 7.927,895 8.226,896 0.875,897 51,898 10.733,900 4.642,901 7.615,902 20.743,904 17.425,905 2.115,906 61.333,908 1,909 1,910 235.422,911 168.45,912 19.91,914 36.145,917 168.45,918 271.567,919 19.91,921 11.928,922 123.191,923 58.406,924 42.75,926 223.651,928 235.422,929 188.36,930 36.145,933 235.422,934 36.145,937 23.12,938 148.455,939 16.786,941 235.422,942 56.055,943 168.45,946 235.422,947 36.211,948 135.363,950 52.93,951 235.422,952 56.055,953 168.45,955 0.58,956 0.347,957 0.189,958 0.105,959 24,960 9,961 0.038,962 2,963 2,964 1.148,965 4.13,966 267.526,967 0.148,968 27,969 136.881,974 17.752,975 7.595,976 3.563,977 2.089,978 56.055,979 27.7,980 4.575,984 4.672,987 459.927,988 45.5,993 12.924,997 0.028,999 48.811,1000 54.152,1001 0.249,1002 0.558,1003 0.744,1004 0.904,1005 0.949,1006 0.949,1007 5.061,1008 1.568,1009 5.9,1010 4.366,1011 4.533,1012 5.147,1013 1.775,1014 6.703,1015 4.488,1016 6.263,1017 1.502,1018 7.449,1019 3.959,1020 4.007,1021 4.844,1022 0.325,1023 7.561,1024 3.952,1025 7.563,1026 1.303,1027 9.101,1028 3.346,1029 6.116,1030 7.367,1031 1.812,1032 10.669,1033 6.032,1034 8.901,1035 1.068,1036 10.813,1037 2.948,1038 6.447,1039 7.922,1040 0.74,1041 12.349,1042 6.355,1043 10.272,1044 1,1045 12.563,1046 2.473,1047 7.977,1048 9.873,1049 1.972,1050 14.938,1051 7.86,1052 11.665,1053 0.697,1054 14.338,1055 2.136,1056 8.71,1057 10.849,1058 1.168,1059 16.943,1060 8.582,1061 13.077,1062 0.646,1063 16.131,1064 1.683,1065 9.992,1066 12.54,1067 2.208,1068 19.341,1069 9.844,1070 3.072,1071 -0.032,1072 17.935,1073 1.536,1074 10.916,1075 13.737,1076 1.605,1077 21.486,1078 10.753,1079 2.967,1080 9.927,1081 19.747,1082 -0.08,1083 12.09,1084 15.301,1085 2.493,1086 23.807,1087 11.909,1088 2.811,1089 9.602,1090 21.566,1091 4.366,1092 13.105,1093 16.616,1094 2.049,1095 26.017,1096 12.907,1097 2.511,1098 9.06,1099 23.389,1100 3.96,1101 14.232,1102 18.119,1103 2.812,1104 28.306,1105 14.017,1106 2.167,1107 8.251,1108 25.215,1109 3.712,1110 15.29,1111 19.497,1112 2.494,1113 30.546,1114 15.058,1115 1.673,1116 6.323,1117 27.045,1118 3.307,1119 16.399,1120 20.972,1121 3.155,1122 32.824,1123 16.15,1124 1.618,1125 4.613,1126 28.877,1127 2.752,1128 17.479,1129 22.386,1130 2.938,1131 35.08,1132 17.211,1133 10595,1134 16621,1135 23.057,1136 34.773,1137 49.871,1138 50.703,1139 49.826,1140 49.268,1141 49.205,1142 67.061,1143 5.223,1144 140.444,1145 48.097,1146 5.384,1147 5.706,1148 6.234,1149 5.12,1150 5.072,1151 7.366,1152 2.335,1153 16.782,1154 5.016,1155 6.759,1156 1.511,1157 1.536,1158 1.51,1159 1.493,1160 1.491,1161 2.032,1162 0.158,1163 4.256,1164 1.457,1165 4.101,1166 4.126,1167 4.06,1168 4.039,1169 7.428,1170 4.041,1171 3.956,1172 3.984,1173 3.902,1174 3.87,1175 5.012,1176 3.872,1177 3.874,1178 3.898,1179 3.816,1180 3.816,1181 4.813,1182 3.813,1183 3.583,1184 3.635,1185 3.489,1186 3.432,1187 4.723,1188 3.438,1189 3.379,1190 3.424,1191 3.298,1192 3.263,1193 4.415,1194 3.264,1195 3.225,1196 3.269,1197 3.101,1198 3.014,1199 4.243,1200 3.024,1201 3.02,1202 3.066,1203 2.901,1204 2.886,1205 3.945,1206 2.882,1207 2.991,1208 3.048,1209 2.881,1210 2.859,1211 3.905,1212 2.858,1213 0.135,1214 0.112,1215 0.195,1216 0.123,1217 0.093,1218 4.466,1219 0.132,1220 3.706,1221 0.037,1222 6.432,1223 0.301,1224 4.053,1225 0.091,1226 3.072,1227 4.366,1228 1.23,1229 9.927,1230 3.016,1231 2.06,1232 2.038,1233 2.134,1234 2.135,1235 1.266,1236 2.136,1237 1.912,1238 1.887,1239 2.025,1240 2.012,1241 1.159,1242 2.015,1243 1.869,1244 1.848,1245 1.97,1246 1.949,1247 1.085,1248 1.956,1249 1.556,1250 1.494,1251 1.783,1252 1.79,1253 1.024,1254 1.791,1255 1.43,1256 1.396,1257 1.588,1258 1.562,1259 0.729,1260 1.572,1261 1.146,1262 1.096,1263 1.401,1264 1.363,1265 0.534,1266 1.372,1267 0.998,1268 0.961,1269 1.209,1270 1.186,1271 0.255,1272 1.188,1273 0.982,1274 0.925,1275 1.189,1276 1.154,1277 0.243,1278 1.176,1279 4.205,1281 5.525,1283 7.05,1284 2.708,1285 8.662,1286 5.198,1287 10.317,1295 1.579,1297 5.916,1300 1.851,1305 33.214,1306 68.586,1307 153.447,1308 204.651,1309 248.756,1310 261.121,1311 261.121,1312 39.537,1313 8.213,1314 42.43,1315 42.43,1316 31,1317 12.628,1318 4.644,1319 3.755,1320 39.604,1321 115,1322 111,1323 0.166,1324 200.064,1325 343.56,1326 479.917,1327 46457,1329 19.631,1330 0.677,1331 0.549,1332 19.631,1333 15.915,1334 14.276,1335 0.433,1336 0.295,1337 9.638,1338 13.919,1339 9.434,1340 7.781,1341 14.276,1342 9.73,1343 12.655,1344 0.275,1345 0.156,1346 12.655,1347 7.18,1348 11.32,1349 0.18,1350 0.084,1351 11.32,1352 5.272,1353 9.469,1354 0.115,1355 0.046,1356 9.469,1357 3.739,1358 8.095,1359 0.074,1360 0.025,1361 8.095,1362 2.671,1363 0.26,1364 88.171,1365 0.208,1366 27.464,1367 0.458,1368 158,1369 418.761,1370 167.893,1371 410.793,1372 574.61,1373 388,1374 188,1375 429.373,1376 199.031,1377 438.991,1378 644.97,1379 415,1380 5.505}
{0 CHEMBL2333370,1 1.589,2 13.829,3 5.885,4 34.629,5 126.538,6 8.645,7 0.59,8 4.127,9 4.212,10 3.812,11 3.744,12 5.333,13 3.746,14 4.675,15 4.797,16 4.26,17 4.14,18 6.255,19 4.137,20 4.94,21 5.086,22 4.363,23 4.328,24 6.38,25 4.298,26 5.023,27 5.2,28 4.22,29 4.299,30 6.257,31 4.242,32 4.998,33 5.201,34 4.151,35 4.221,36 6.253,37 4.163,38 4.883,39 5.101,40 4.016,41 4.13,42 5.997,43 4.058,44 4.787,45 4.98,46 4.033,47 4.067,48 5.988,49 4.016,50 4.747,51 4.921,52 4.048,53 4.024,54 6.219,55 3.973,56 0.128,57 0.901,58 7.625,59 5.214,60 26.984,61 5.502,62 0.89,63 1.899,64 17.034,65 8.796,66 142.567,67 9.186,68 0.852,69 1.807,70 23.979,71 11.925,72 142.238,73 13.61,74 0.716,75 1.915,76 28.828,77 13.178,78 95.505,79 14.872,80 0.89,81 1.999,82 31.339,83 13.207,84 129.656,85 15.134,86 0.65,87 1.723,88 28.559,89 12.17,90 104.716,91 14.797,92 0.628,93 1.438,94 24.369,95 10.508,96 89.982,97 12.814,98 0.939,99 1.511,100 22.211,101 9.801,102 136.892,103 11.666,104 28,105 57,106 0.257,107 0.527,108 0.67,109 0.815,110 0.863,111 0.874,112 3.588,113 0.85,114 -5.81,115 -5.68,116 -5.29,119 50.9,125 3,132 1,142 14,143 7,144 1,157 1,158 1,172 22,174 1,175 6,183 28,186 1,187 9,195 25,199 10,207 17,211 1,212 8,220 15,224 8,232 15,236 2,237 8,245 15,250 7,258 13,263 7,271 12,275 2251,276 23.35,277 23.35,278 23.35,279 23.35,280 23.35,281 20.578,282 16.125,283 13.39,284 23.791,285 19.22,286 19.22,287 19.22,288 19.22,289 19.22,290 14.87,291 18.426,292 6.337,293 19.968,294 4.192,295 2.525,296 1.642,297 0.746,298 0.45,299 0.377,300 4.294,305 1,306 1060,307 4.062,311 392.837,312 105.773,315 160.139,316 168.444,318 2.291,319 54.402,322 0.75,323 0.67,324 1,325 0.6,326 0.5,327 1,328 1,329 0.79,330 78,331 484,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.366,338 3.904,339 11.845,340 3.066,341 4.465,342 3.707,343 6.433,344 4.055,345 3.073,346 3.964,347 1.23,348 9.93,349 3.028,350 4.305,351 3.195,352 6.317,353 3.955,354 2.968,355 3.92,356 0.86,357 9.605,358 2.905,359 4.193,360 3.13,361 6.147,362 3.803,363 2.815,364 3.569,365 0.766,366 9.064,367 2.776,368 3.863,369 2.956,370 5.909,371 3.503,372 2.521,373 3.306,374 0.521,375 8.253,376 2.469,377 3.68,378 2.593,379 5.576,380 3.325,381 2.384,382 2.93,384 7.298,385 2.187,386 3.228,387 2.371,388 5.184,389 2.941,390 1.989,391 2.427,393 6.148,394 1.864,395 3.118,396 2.199,397 4.529,398 2.618,399 1.672,400 2.378,402 4.61,403 1.618,404 3.051,405 2.072,406 4.421,407 2.613,408 1.618,409 2.293,411 4.36,412 1.572,413 2.899,414 1.667,415 4.271,416 2.528,417 1.534,418 2.02,420 3.947,421 1.516,422 2.8,423 1.618,424 3.947,425 2.313,426 1.316,427 1.941,428 2.96,429 1.309,430 2.562,431 1.563,432 3.664,433 2.178,434 1.181,435 1.5,436 2.859,437 1.159,438 2.5,439 1.329,440 3.608,441 2,442 1,443 1.477,445 2.275,446 1,447 2.353,448 1.205,449 3.414,450 1.896,451 0.907,452 1.189,454 2.254,455 0.876,456 2.173,457 1,458 3.373,459 1.686,460 0.673,461 0.995,463 1.644,464 0.674,465 16.257,466 0.464,467 1.052,468 0.03,469 47.5,470 1.357,471 25.5,472 0.729,473 22,474 0.629,475 27.716,476 0.792,477 36.543,478 0.664,479 42.296,480 1.208,481 9.763,482 0.279,483 7.029,484 0.201,485 0.094,486 0.031,487 0.332,490 3,493 0.545,494 0.866,495 0.606,496 0.943,497 0.549,498 0.846,499 0.531,500 0.68,501 0.744,502 0.881,503 0.425,504 0.889,505 0.501,506 0.76,507 0.808,508 1.009,509 0.389,510 1.026,511 0.797,512 0.842,513 1.059,514 1.095,515 0.752,516 1.161,517 0.898,518 0.895,519 1.05,520 0.987,521 0.936,522 1.047,523 0.726,524 0.797,525 0.928,526 0.971,527 0.693,528 1.007,529 0.566,530 0.665,531 0.802,532 0.916,533 0.427,534 0.945,535 0.47,536 0.665,537 0.888,538 1.022,539 0.436,540 1.099,541 8,542 0.259,543 5.111,544 2.375,545 2.081,546 1.163,547 0.785,548 0.596,549 0.449,550 0.315,551 19374,552 64695,553 2.099,554 36.4,556 20,564 1.765,565 1.953,566 3.749,567 -0.794,573 87.421,574 1.589,575 3.256,576 4.139,577 5.036,578 5.331,579 5.404,580 3.214,581 4.572,582 5.099,583 3.936,584 2341.77,585 8.942,586 36822,591 317.975,592 1.566,593 5.051,594 0.205,595 0.007,596 0.09,597 0.038,598 0.039,599 0.024,600 0.018,601 0.013,602 0.01,603 0.008,604 0.452,605 0.5,606 0.63,607 0.841,608 190.402,609 -0.012,610 -0.03,611 0.034,612 -0.005,613 -0.066,614 0.021,615 0.29,616 0.298,617 0.043,618 0.061,619 0.308,620 -0.011,621 0.178,622 -0.003,623 0.027,624 -0.064,625 0.23,626 -0.075,627 -0.083,628 -0.13,629 -0.145,630 -0.145,631 -0.043,632 -0.167,633 -0.053,634 -0.022,635 -0.053,636 -0.008,637 -0.063,638 -0.021,639 -0.021,640 0.012,641 0.065,642 0.017,643 -0.023,644 0.061,645 0.069,646 -0.018,647 0.137,648 0.038,649 0.097,650 0.087,651 0.3,652 0.11,653 0.039,654 -0.068,655 0.273,656 -0.112,657 6.208,658 6.105,659 0.771,660 42.206,661 1.024,662 1.122,663 4.585,664 21.022,665 0.701,666 3.689,667 4.06,668 4.331,669 4.554,670 4.82,671 4.956,672 5.142,673 5.283,674 5.412,675 5.541,676 8.104,677 0.693,678 475.49,679 3.689,680 5.263,681 6.125,682 7.015,683 7.889,684 8.78,685 9.659,686 10.549,687 11.43,688 12.32,689 1.8,696 1,703 2,704 14,709 6,711 23,716 1,719 1,729 1,731 55,733 25,734 4,735 39,737 59,738 28,739 22,740 8,741 14,742 2,746 5,747 7,752 1,757 1,761 24,762 4,766 2,771 2,775 2,779 3,781 20,782 7,784 7,790 1,794 0.6,795 3,812 4,813 1,816 1,817 1,840 3,846 3,848 35,854 3,856 1,859 1,860 1,869 3,870 5.5,873 2,875 1,877 17.917,878 10.045,879 7.417,880 3.26,881 4.497,882 1.519,883 1.028,884 5.983,885 13.155,886 3.98,887 4.61,888 5.219,889 5.766,890 6.366,891 6.694,892 7.16,893 7.542,894 7.965,895 8.27,896 1,897 63,898 13.85,900 6.916,901 8.183,902 24.048,904 20.247,905 2.683,906 93.917,910 235.422,911 185.386,912 3.124,914 61.29,915 44.88,917 185.386,918 296.712,919 48.005,921 11.928,922 132.667,923 60.128,924 82.197,926 235.422,927 7.76,928 235.422,929 188.51,930 106.17,933 235.422,934 106.17,937 19.688,938 168.823,941 280.302,942 64.414,943 185.386,946 243.182,947 44.959,948 135.792,950 106.17,951 235.422,952 109.294,953 185.386,955 0.599,956 0.349,957 0.174,958 0.094,959 29,960 13,961 0.051,962 3,963 2,964 1.148,965 4.513,966 340.958,967 0.148,968 27,969 166.77,974 22.986,975 9.11,976 4.745,977 2.273,978 109.294,979 24.758,984 3.263,987 530.103,988 52.5,993 24.521,997 -2.279,999 56.341,1000 61.713,1001 0.275,1002 0.563,1003 0.716,1004 0.871,1005 0.922,1006 0.935,1007 5.24,1008 1.672,1009 6.151,1010 6.148,1011 4.745,1012 5.298,1013 3.368,1014 7.004,1015 4.681,1016 6.475,1017 1.618,1018 7.748,1019 4.61,1020 4.511,1021 5.173,1022 3.911,1023 8.116,1024 4.34,1025 7.804,1026 1.534,1027 9.452,1028 4.36,1029 6.428,1030 7.528,1031 5.547,1032 11.145,1033 6.288,1034 9.169,1035 1.316,1036 11.219,1037 3.947,1038 6.986,1039 8.187,1040 6.781,1041 13.032,1042 6.741,1043 10.563,1044 1.181,1045 13.026,1046 2.96,1047 8.416,1048 10.042,1049 8.186,1050 15.635,1051 8.179,1052 11.977,1053 1,1054 14.86,1055 2.859,1056 9.311,1057 11.068,1058 9.529,1059 17.828,1060 8.982,1061 13.408,1062 0.907,1063 16.714,1064 2.275,1065 10.565,1066 12.705,1067 10.898,1068 20.302,1069 10.216,1070 3.349,1071 0.673,1072 18.582,1073 2.254,1074 11.609,1075 13.921,1076 12.257,1077 22.629,1078 11.178,1079 3.073,1080 11.845,1081 20.463,1082 1.644,1083 12.799,1084 15.455,1085 13.62,1086 25.07,1087 12.329,1088 2.968,1089 9.93,1090 22.353,1091 4.366,1092 13.911,1093 16.774,1094 14.981,1095 27.46,1096 13.363,1097 2.815,1098 9.605,1099 24.253,1100 3.964,1101 15.082,1102 18.258,1103 16.343,1104 29.898,1105 14.48,1106 2.521,1107 9.064,1108 26.16,1109 3.92,1110 16.226,1111 19.634,1112 17.705,1113 32.321,1114 15.547,1115 2.384,1116 8.253,1117 28.073,1118 3.569,1119 17.395,1120 21.095,1121 19.067,1122 34.765,1123 16.651,1124 1.989,1125 7.298,1126 29.993,1127 3.306,1128 18.556,1129 22.504,1130 20.429,1131 37.206,1132 17.735,1133 18121,1134 33480,1135 25.948,1136 38.557,1137 60.496,1138 61.174,1139 60.743,1140 59.589,1141 59.254,1142 78.331,1143 14.562,1144 177.172,1145 57.3,1146 5.421,1147 6.572,1148 6.869,1149 5.312,1150 5.349,1151 7.366,1152 5.553,1153 19.306,1154 5.066,1155 18.214,1156 1.551,1157 1.569,1158 1.558,1159 1.528,1160 1.519,1161 2.008,1162 0.373,1163 4.543,1164 1.469,1165 4.117,1166 4.136,1167 4.072,1168 4.078,1169 8.516,1170 4.073,1171 3.979,1172 4.001,1173 3.937,1174 3.899,1175 7.999,1176 3.903,1177 3.899,1178 3.919,1179 3.851,1180 3.833,1181 7.999,1182 3.833,1183 3.625,1184 3.662,1185 3.603,1186 3.452,1187 7.428,1188 3.467,1189 3.504,1190 3.533,1191 3.45,1192 3.324,1193 7.418,1194 3.344,1195 3.386,1196 3.432,1197 3.296,1198 3.218,1199 4.937,1200 3.242,1201 3.203,1202 3.251,1203 3.096,1204 2.978,1205 4.796,1206 2.986,1207 3.05,1208 3.099,1209 2.934,1210 2.963,1211 4.664,1212 2.952,1213 0.115,1214 0.117,1215 0.184,1216 0.109,1217 0.086,1218 4.5,1219 0.112,1220 4.572,1221 0.1,1222 7.182,1223 0.304,1224 4.242,1225 0.079,1226 3.349,1227 4.366,1228 3.904,1229 11.845,1230 3.066,1231 2.093,1232 2.077,1233 2.173,1234 2.142,1235 1.318,1236 2.153,1237 1.932,1238 1.914,1239 2.022,1240 2.03,1241 1.178,1242 2.025,1243 1.876,1244 1.858,1245 1.973,1246 1.955,1247 1.107,1248 1.961,1249 1.569,1250 1.515,1251 1.784,1252 1.811,1253 1.038,1254 1.799,1255 1.457,1256 1.424,1257 1.625,1258 1.616,1259 0.743,1260 1.593,1261 1.313,1262 1.299,1263 1.423,1264 1.568,1265 0.573,1266 1.522,1267 1.143,1268 1.092,1269 1.328,1270 1.357,1271 0.364,1272 1.367,1273 1.053,1274 1.003,1275 1.282,1276 1.192,1277 0.357,1278 1.225,1279 4.369,1281 5.727,1283 7.273,1284 2.708,1285 8.898,1286 5.198,1287 10.561,1291 37.993,1295 0.902,1297 5.85,1300 1.594,1301 -4.958,1305 38.11,1306 87.421,1307 179.104,1308 227.652,1309 276.955,1310 293.22,1311 297.22,1312 76.057,1313 8.658,1314 46.61,1315 46.61,1316 31,1317 12.851,1318 4.7,1319 3.858,1320 52.373,1321 171,1322 158,1323 0.148,1324 226.71,1325 408.82,1326 544.934,1327 82003,1328 5.5,1329 24.579,1330 0.702,1331 0.529,1332 22.079,1333 18.51,1334 16.792,1335 0.431,1336 0.283,1337 10.886,1338 16.146,1339 10.715,1340 8.769,1341 15.581,1342 11.052,1343 16.086,1344 0.282,1345 0.147,1346 14.176,1347 8.364,1348 13.559,1349 0.181,1350 0.081,1351 12.429,1352 6.062,1353 10.687,1354 0.114,1355 0.045,1356 10.147,1357 4.227,1358 8.92,1359 0.073,1360 0.024,1361 8.516,1362 3.008,1363 0.237,1364 105.639,1365 0.196,1366 32.389,1367 0.396,1368 192,1369 747.185,1370 219.293,1371 639.86,1372 842.4,1373 594,1374 228,1375 590.544,1376 250.747,1377 581.465,1378 875.33,1379 547,1380 5.835}
{0 CHEMBL2333371,1 1.643,2 12.355,3 4.976,4 24.763,5 110.088,6 8.682,7 0.529,8 4.009,9 4.096,10 3.691,11 3.597,12 5.231,13 3.606,14 4.559,15 4.685,16 4.135,17 3.976,18 6.188,19 3.981,20 4.814,21 4.964,22 4.232,23 4.155,24 6.299,25 4.134,26 4.888,27 5.064,28 4.094,29 4.125,30 6.16,31 4.083,32 4.869,33 5.066,34 4.039,35 4.066,36 6.174,37 4.022,38 4.776,39 4.998,40 3.872,41 3.97,42 5.907,43 3.9,44 4.648,45 4.85,46 3.866,47 3.858,48 5.878,49 3.815,50 4.565,51 4.739,52 3.87,53 3.793,54 6.121,55 3.755,56 0.153,57 0.845,58 6.787,59 4.735,60 30.74,61 4.907,62 0.912,63 1.758,64 15.56,65 7.839,66 145.364,67 8.098,68 0.891,69 1.606,70 21.719,71 10.449,72 147.598,73 11.879,74 0.775,75 1.687,76 25.627,77 11.307,78 106.566,79 12.602,80 0.928,81 1.78,82 27.343,83 11.351,84 135.95,85 12.667,86 0.711,87 1.533,88 26.278,89 10.784,90 112.822,91 13.11,92 0.674,93 1.231,94 22.281,95 8.966,96 97.367,97 11.038,98 0.957,99 1.254,100 19.089,101 7.912,102 139.084,103 9.262,104 28,105 49,106 0.275,107 0.542,108 0.666,109 0.792,110 0.848,111 0.848,112 3.472,113 0.851,114 -5.16,115 -5.06,116 -4.73,119 49,125 3,132 1,142 12,143 5,144 1,157 1,158 1,172 17,174 1,175 6,183 20,186 1,187 9,195 16,199 10,207 10,211 1,212 8,220 9,224 8,232 8,236 2,237 8,245 9,250 5,258 11,263 3,271 12,275 1655,276 20.54,277 20.54,278 20.54,279 20.54,280 20.54,281 18.284,282 16.125,283 11.894,284 20.982,285 16.749,286 16.749,287 16.749,288 16.749,289 16.749,290 13.226,291 18.426,292 5.629,293 17.496,294 3.972,295 2.374,296 1.636,297 0.881,298 0.546,299 0.546,300 4.165,304 1,305 1,306 823,307 3.937,311 284.193,312 94.577,316 152.62,318 2.067,319 52.689,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 70,331 383,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.03,338 3.904,339 11.845,340 3.065,341 4.371,342 3.707,343 6.431,344 4.03,345 3.055,346 3.924,347 1.23,348 9.902,349 2.975,350 4.216,351 3.191,352 6.259,353 3.893,354 2.902,355 3.58,356 0.86,357 9.4,358 2.859,359 3.984,360 3.13,361 5.983,362 3.615,363 2.637,364 3.498,365 0.766,366 8.508,367 2.573,368 3.684,369 2.765,370 5.576,371 3.332,372 2.393,373 2.934,374 0.521,375 7.298,376 2.192,377 3.296,378 2.372,379 5.184,380 2.951,381 1.996,382 2.623,384 6.149,385 1.882,386 3.206,387 2.201,388 4.532,389 2.802,390 1.823,391 2.351,393 4.683,394 1.779,395 2.899,396 2.103,397 4.348,398 2.573,399 1.622,400 2.018,402 4.183,403 1.532,404 2.666,405 1.789,406 3.947,407 2.234,408 1.241,409 1.728,411 2.905,412 1.218,413 2.55,414 1.666,415 3.666,416 2.119,417 1.118,418 1.5,420 2.678,421 1.11,422 2.5,423 1.273,424 3.51,425 2,426 1,427 1.5,428 2.275,429 1,430 2.5,431 1.122,432 3.414,433 2,434 1,435 1.466,436 2.238,437 1,438 2.348,439 1,440 3.365,441 1.888,442 0.898,443 1.178,445 2.136,446 0.868,447 2.108,448 1,449 3.247,450 1.667,451 0.635,452 0.899,454 1.625,455 0.642,456 1.21,457 0.51,458 2.713,459 0.916,460 -0.046,461 -0.053,463 -0.113,464 -0.043,465 14.257,466 0.46,467 0.932,468 0.03,469 41,470 1.323,471 21.5,472 0.694,473 19.5,474 0.629,475 23.794,476 0.768,477 33.143,478 0.676,479 35.921,480 1.159,481 8.557,482 0.276,483 6.269,484 0.202,485 0.107,486 0.035,487 0.309,490 3,493 0.556,494 0.898,495 0.604,496 0.991,497 0.556,498 0.878,499 0.542,500 0.692,501 0.746,502 0.91,503 0.432,504 0.912,505 0.513,506 0.763,507 0.787,508 1.017,509 0.396,510 1.025,511 0.826,512 0.838,513 1.036,514 1.077,515 0.774,516 1.134,517 0.931,518 0.92,519 1.069,520 1.008,521 0.968,522 1.067,523 0.733,524 0.809,525 0.937,526 1.001,527 0.699,528 1.037,529 0.587,530 0.657,531 0.774,532 0.901,533 0.436,534 0.918,535 0.526,536 0.616,537 0.893,538 0.96,539 0.472,540 1.058,541 7,542 0.186,543 4.444,544 2.25,545 1.557,546 1.024,547 0.724,548 0.512,549 0.368,550 0.243,551 13195,552 46960,553 2.057,554 36.7,556 18,564 1.735,565 1.908,566 3.593,567 -0.767,573 80.513,574 1.643,575 3.241,576 3.978,577 4.734,578 5.069,579 5.069,580 3.087,581 4.478,582 4.924,583 3.778,584 1756.73,585 8.594,586 25095.7,588 1,591 275.121,592 1.595,593 4.87,594 0.206,595 0.007,596 0.091,597 0.042,598 0.034,599 0.024,600 0.02,601 0.014,602 0.011,603 0.008,604 0.455,605 0.5,606 1,607 0.904,608 161.753,609 -0.016,610 -0.045,611 0.031,612 -0.023,613 -0.066,614 0.009,615 0.289,616 0.297,617 0.049,618 0.048,619 0.311,620 -0.023,621 0.179,622 -0.01,623 0.053,624 -0.066,625 0.237,626 -0.066,627 -0.097,628 -0.132,629 -0.127,630 -0.131,631 -0.047,632 -0.145,633 -0.074,634 -0.041,635 -0.092,636 -0.036,637 -0.082,638 -0.058,639 -0.023,640 -0.014,641 0.057,642 -0.019,643 -0.026,644 0.036,645 0.071,646 -0.033,647 0.186,648 0.044,649 0.109,650 0.124,651 0.296,652 0.169,653 0.041,654 -0.012,655 0.286,656 -0.081,657 6.201,658 5.958,659 0.742,660 33.507,661 1.03,662 1.129,663 3.933,664 15.466,665 0.69,666 3.555,667 3.912,668 4.159,669 4.357,670 4.595,671 4.718,672 4.898,673 5.004,674 5.069,675 5.193,676 7.325,677 0.685,678 425.43,679 3.555,680 5.118,681 5.969,682 6.851,683 7.716,684 8.6,685 9.471,686 10.355,687 11.229,688 12.113,689 2,696 1,704 12,709 6,711 18,716 1,719 1,729 1,731 49,733 20,734 3,735 34,737 52,738 24,739 18,740 6,741 12,742 2,746 4,747 5,752 1,757 1,761 20,762 4,766 2,771 2,775 2,779 3,781 18,782 7,784 7,790 1,794 0.75,795 3,812 3,813 1,817 1,840 3,846 3,848 31,854 3,856 1,859 1,860 1,869 3,870 6.1,873 2,875 1,877 16.25,878 8.879,879 6.639,880 2.864,881 3.223,882 1.407,883 1.002,884 5.734,885 11.152,886 3.829,887 4.413,888 4.972,889 5.459,890 6.003,891 6.236,892 6.657,893 6.891,894 7.14,895 7.468,896 1,897 54,898 12.35,900 6.2,901 8.293,902 21.084,904 17.456,905 2.793,906 86.583,909 1,910 211.88,911 161.288,912 3.124,914 61.29,915 44.88,917 161.288,918 273.17,919 48.005,921 11.928,922 113.715,923 60.128,924 77.052,926 211.88,927 7.76,928 211.88,929 164.412,930 106.17,933 211.88,934 106.17,937 19.688,938 144.724,941 256.76,942 64.414,943 161.288,946 219.639,947 39.813,948 116.839,950 106.17,951 211.88,952 109.294,953 161.288,955 0.595,956 0.343,957 0.169,958 0.09,959 24,960 11,961 0.058,962 3,963 1,964 1.087,965 4.151,966 282.053,967 0.087,968 23,969 140.825,974 20.991,975 8.468,976 4.586,978 109.294,979 20.163,984 3.282,987 482.462,988 45,993 24.302,997 -2.274,999 50.458,1000 55.298,1001 0.293,1002 0.577,1003 0.709,1004 0.843,1005 0.903,1006 0.903,1007 5.085,1008 1.622,1009 5.994,1010 4.683,1011 4.595,1012 5.1,1013 3.368,1014 6.841,1015 4.52,1016 6.306,1017 1.241,1018 7.589,1019 4.183,1020 4.369,1021 4.913,1022 3.911,1023 7.978,1024 4.17,1025 7.626,1026 1.118,1027 9.296,1028 2.905,1029 6.275,1030 7.255,1031 5.547,1032 10.996,1033 6.109,1034 8.98,1035 1,1036 11.067,1037 2.678,1038 6.847,1039 7.836,1040 6.781,1041 12.912,1042 6.561,1043 10.365,1044 1,1045 12.881,1046 2.275,1047 8.271,1048 9.683,1049 8.186,1050 15.516,1051 7.991,1052 11.772,1053 0.898,1054 14.722,1055 2.238,1056 9.179,1057 10.616,1058 9.529,1059 17.73,1060 8.793,1061 13.195,1062 0.635,1063 16.584,1064 2.136,1065 10.432,1066 12.243,1067 10.898,1068 20.212,1069 10.022,1070 3.349,1071 -0.046,1072 18.461,1073 1.625,1074 11.486,1075 13.36,1076 12.257,1077 22.554,1078 10.982,1079 3.055,1080 11.845,1081 20.35,1082 -0.113,1083 12.679,1084 14.874,1085 13.62,1086 25.004,1087 12.129,1088 2.902,1089 9.902,1090 22.249,1091 4.03,1092 13.799,1093 16.095,1094 14.981,1095 27.405,1096 13.161,1097 2.637,1098 9.4,1099 24.157,1100 3.924,1101 14.975,1102 17.547,1103 16.343,1104 29.851,1105 14.275,1106 2.393,1107 8.508,1108 26.072,1109 3.58,1110 16.127,1111 18.83,1112 17.705,1113 32.282,1114 15.34,1115 1.996,1116 7.298,1117 27.993,1118 3.498,1119 17.301,1120 20.247,1121 19.067,1122 34.732,1123 16.442,1124 1.823,1125 6.149,1126 29.92,1127 2.934,1128 18.469,1129 21.566,1130 20.429,1131 37.179,1132 17.524,1133 12631,1134 24143,1135 22.364,1136 33.796,1137 52.599,1138 53.012,1139 52.581,1140 51.679,1141 51.341,1142 66.457,1143 14.562,1144 151.648,1145 49.387,1146 5.421,1147 6.572,1148 6.984,1149 5.311,1150 5.349,1151 7.03,1152 5.553,1153 19.306,1154 5.065,1155 16.646,1156 1.547,1157 1.559,1158 1.547,1159 1.52,1160 1.51,1161 1.955,1162 0.428,1163 4.46,1164 1.453,1165 4.045,1166 4.068,1167 3.996,1168 3.979,1169 8.516,1170 3.978,1171 3.946,1172 3.964,1173 3.906,1174 3.88,1175 7.999,1176 3.882,1177 3.802,1178 3.834,1179 3.733,1180 3.714,1181 7.999,1182 3.712,1183 3.594,1184 3.624,1185 3.585,1186 3.395,1187 7.428,1188 3.422,1189 3.471,1190 3.513,1191 3.395,1192 3.232,1193 7.418,1194 3.27,1195 3.204,1196 3.251,1197 3.108,1198 2.977,1199 4.882,1200 2.986,1201 3.013,1202 3.047,1203 2.906,1204 2.867,1205 4.699,1206 2.877,1207 2.922,1208 2.964,1209 2.827,1210 2.777,1211 4.663,1212 2.792,1213 0.132,1214 0.134,1215 0.211,1216 0.125,1217 0.099,1218 4.5,1219 0.119,1220 4.572,1221 0.115,1222 7.182,1223 0.348,1224 4.242,1225 0.09,1226 3.349,1227 4.03,1228 3.904,1229 11.845,1230 3.065,1231 1.994,1232 1.974,1233 2.087,1234 2.062,1235 1.238,1236 2.07,1237 1.927,1238 1.909,1239 2.017,1240 2.02,1241 1.134,1242 2.018,1243 1.767,1244 1.74,1245 1.895,1246 1.865,1247 1.052,1248 1.875,1249 1.566,1250 1.513,1251 1.782,1252 1.809,1253 0.988,1254 1.797,1255 1.315,1256 1.301,1257 1.438,1258 1.612,1259 0.628,1260 1.527,1261 1.163,1262 1.115,1263 1.329,1264 1.384,1265 0.361,1266 1.388,1267 0.924,1268 0.875,1269 1.181,1270 1.15,1271 0.248,1272 1.123,1273 0.886,1274 0.862,1275 1.181,1276 1.067,1277 0.218,1278 1.107,1279 4.234,1281 5.58,1283 7.112,1284 2.708,1285 8.721,1286 5.198,1287 10.367,1291 37.762,1295 0.934,1297 5.78,1300 1.585,1301 -4.951,1305 33.584,1306 80.513,1307 158.817,1308 194.94,1309 231.96,1310 248.366,1311 248.366,1312 72.552,1313 7.929,1314 46.61,1315 46.61,1316 25,1317 12.648,1318 4.392,1319 3.585,1320 49.542,1321 135,1322 128,1323 0.177,1324 201.589,1325 368.16,1326 483.638,1327 32214,1328 6.1,1329 22.01,1330 0.71,1331 0.528,1332 19.51,1333 16.355,1334 14.826,1335 0.436,1336 0.284,1337 9.482,1338 14.179,1339 9.346,1340 7.652,1341 13.614,1342 9.648,1343 14.107,1344 0.288,1345 0.146,1346 12.196,1347 7.168,1348 11.629,1349 0.185,1350 0.081,1351 10.499,1352 5.086,1353 8.955,1354 0.116,1355 0.045,1356 8.414,1357 3.488,1358 7.289,1359 0.074,1360 0.025,1361 6.885,1362 2.423,1363 0.281,1364 93.841,1365 0.211,1366 29.217,1367 0.478,1368 166,1369 697.185,1370 193.293,1371 587.375,1372 763.54,1373 544,1374 195,1375 526.544,1376 217.747,1377 514.297,1378 774.6,1379 483,1380 5.637}
{0 CHEMBL2333372,1 1.73,2 12.355,3 3.826,4 14.635,5 107.931,6 8.884,7 0.529,8 3.998,9 4.085,10 3.697,11 3.566,12 5.242,13 3.585,14 4.546,15 4.674,16 4.138,17 3.942,18 6.192,19 3.96,20 4.788,21 4.933,22 4.234,23 4.124,24 6.297,25 4.115,26 4.871,27 5.046,28 4.097,29 4.096,30 6.16,31 4.064,32 4.852,33 5.049,34 4.042,35 4.032,36 6.176,37 4,38 4.748,39 4.968,40 3.875,41 3.932,42 5.903,43 3.875,44 4.628,45 4.831,46 3.872,47 3.823,48 5.887,49 3.79,50 4.526,51 4.693,52 3.876,53 3.751,54 6.115,55 3.726,56 0.189,57 0.868,58 6.222,59 4.503,60 33.889,61 4.554,62 0.964,63 1.763,64 14.803,65 7.357,66 150.637,67 7.38,68 0.943,69 1.595,70 20.013,71 9.848,72 151.613,73 10.913,74 0.867,75 1.676,76 24.449,77 10.79,78 115.657,79 11.825,80 1.028,81 1.759,82 26.441,83 10.752,84 146.585,85 11.827,86 0.792,87 1.497,88 25.096,89 10.162,90 120.384,91 12.229,92 0.781,93 1.212,94 21.713,95 8.445,96 104.075,97 10.346,98 0.946,99 1.224,100 17.249,101 7.398,102 140.625,103 8.583,104 28,105 49,106 0.291,107 0.592,108 0.739,109 0.832,110 0.872,111 0.872,112 3.472,113 0.838,114 -4.17,115 -4.11,116 -3.89,119 47.9,125 3,132 1,142 9,143 5,144 1,145 2,157 1,158 1,172 13,174 1,175 8,183 14,186 1,187 11,195 10,199 12,207 5,211 1,212 10,220 5,224 6,232 6,236 4,237 6,245 9,250 2,258 10,262 1,263 3,271 9,275 1655,276 20.54,277 20.54,278 20.54,279 20.54,280 20.54,281 18.284,282 16.125,283 11.894,284 21.047,285 16.749,286 16.749,287 16.749,288 16.749,289 16.749,290 13.226,291 18.426,292 5.629,293 17.59,294 3.855,295 2.059,296 1.183,297 0.631,298 0.391,299 0.391,300 4.165,304 1,305 1,306 823,307 3.937,311 284.193,312 94.577,316 152.62,318 2.067,319 54.843,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 70.5,331 383,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.03,338 3.904,339 11.845,340 3.064,341 4.371,342 3.707,343 6.431,344 4.03,345 3.055,346 3.924,347 1.23,348 9.902,349 2.972,350 4.216,351 3.191,352 6.259,353 3.891,354 2.902,355 3.58,356 0.86,357 9.4,358 2.857,359 3.984,360 3.13,361 5.983,362 3.612,363 2.637,364 3.498,365 0.766,366 8.508,367 2.564,368 3.684,369 2.765,370 5.576,371 3.331,372 2.393,373 2.934,374 0.521,375 7.298,376 2.191,377 3.296,378 2.372,379 5.184,380 2.949,381 1.996,382 2.623,384 6.149,385 1.875,386 3.206,387 2.201,388 4.532,389 2.779,390 1.823,391 2.351,393 4.683,394 1.74,395 2.899,396 2.103,397 4.348,398 2.571,399 1.622,400 2.018,402 4.183,403 1.531,404 2.666,405 1.789,406 3.947,407 2.227,408 1.241,409 1.728,411 2.905,412 1.208,413 2.55,414 1.666,415 3.666,416 2.108,417 1.118,418 1.5,420 2.678,421 1.097,422 2.5,423 1.273,424 3.51,425 2,426 1,427 1.5,428 2.275,429 1,430 2.5,431 1.122,432 3.414,433 1.956,434 1,435 1.466,436 2.238,437 0.953,438 2.348,439 1,440 3.365,441 1.887,442 0.898,443 1.178,445 2.136,446 0.868,447 2.108,448 1,449 3.247,450 1.666,451 0.635,452 0.899,454 1.625,455 0.642,456 1.21,457 0.51,458 2.713,459 0.913,460 -0.046,461 -0.053,463 -0.113,464 -0.043,465 14.157,466 0.457,467 0.932,468 0.03,469 41.5,470 1.339,471 21.5,472 0.694,473 20,474 0.645,475 23.508,476 0.758,477 33.243,478 0.693,479 36.207,480 1.168,481 8.638,482 0.279,483 6.188,484 0.2,485 0.108,486 0.035,487 0.311,490 3,493 0.573,494 0.948,495 0.589,496 1.021,497 0.56,498 0.885,499 0.576,500 0.694,501 0.744,502 0.88,503 0.445,504 0.88,505 0.535,506 0.78,507 0.796,508 1.037,509 0.408,510 1.043,511 0.84,512 0.846,513 1.045,514 1.092,515 0.783,516 1.151,517 0.954,518 0.923,519 1.084,520 1.004,521 0.982,522 1.069,523 0.757,524 0.828,525 0.952,526 1.019,527 0.718,528 1.056,529 0.583,530 0.599,531 0.778,532 0.849,533 0.447,534 0.892,535 0.502,536 0.692,537 0.879,538 1.047,539 0.483,540 1.125,541 7,542 0.186,543 4.444,544 2.25,545 1.557,546 1.024,547 0.724,548 0.512,549 0.368,550 0.243,551 13195,552 49056,553 2.057,554 35.4,556 15,558 2,564 1.735,565 1.908,566 3.593,567 -0.735,569 1,573 83.04,574 1.73,575 3.526,576 4.402,577 4.954,578 5.194,579 5.194,580 3.087,581 4.478,582 4.924,583 3.778,584 1756.73,585 8.594,586 25095.7,588 1,590 1,591 268.078,592 1.595,593 4.87,594 0.206,595 0.007,596 0.091,597 0.042,598 0.034,599 0.024,600 0.02,601 0.014,602 0.011,603 0.008,604 0.455,605 0.67,606 1,607 0.904,608 161.753,609 -0.023,610 -0.079,611 0.032,612 -0.049,613 -0.064,614 -0.004,615 0.26,616 0.301,617 0.046,618 0.077,619 0.304,620 0.002,621 0.165,622 -0.017,623 0.034,624 -0.08,625 0.233,626 -0.085,627 -0.106,628 -0.14,629 -0.13,630 -0.139,631 -0.052,632 -0.15,633 -0.09,634 -0.047,635 -0.096,636 -0.03,637 -0.09,638 -0.05,639 -0.032,640 -0.031,641 0.054,642 -0.032,643 -0.032,644 0.029,645 0.093,646 0.027,647 0.198,648 0.095,649 0.108,650 0.158,651 0.308,652 0.103,653 0.043,654 -0.092,655 0.288,656 -0.145,657 6.205,658 5.948,659 0.742,660 33.507,661 1.035,662 1.133,663 2.939,664 8.638,665 0.688,666 3.555,667 3.912,668 4.159,669 4.357,670 4.595,671 4.718,672 4.898,673 5.004,674 5.069,675 5.193,676 7.325,677 0.689,678 426.42,679 3.555,680 5.118,681 5.969,682 6.851,683 7.716,684 8.6,685 9.471,686 10.355,687 11.229,688 12.113,689 4.2,696 1,699 1,704 11,705 1,709 6,711 18,716 1,719 1,729 1,731 48,733 20,734 2,735 34,737 51,738 23,739 17,740 5,741 7,742 2,746 4,747 5,752 1,757 1,761 19,762 4,766 2,771 2,775 2,778 1,779 3,781 17,782 8,784 8,790 2,794 0.75,795 3,805 1,812 3,813 1,817 1,840 3,846 3,848 31,854 3,856 1,859 1,860 1,869 3,870 6.3,873 2,875 1,877 16.25,878 8.745,879 6.639,880 2.775,881 3.223,882 1.407,883 0.999,884 5.691,885 11.152,886 3.829,887 4.413,888 4.972,889 5.459,890 6.003,891 6.236,892 6.657,893 6.891,894 7.14,895 7.468,896 1,897 54,898 12.343,900 6.201,901 8.325,902 20.954,904 17.273,905 2.825,906 87.583,909 1,910 200.109,911 150.954,912 19.91,914 61.29,915 44.88,917 150.954,918 261.398,919 64.79,921 11.928,922 85.286,923 100.456,924 95.146,926 176.567,927 7.76,928 200.109,929 170.864,930 106.17,933 200.109,934 106.17,937 37.782,938 116.296,939 16.786,941 244.989,942 81.2,943 150.954,946 207.868,947 39.813,948 106.505,950 122.956,951 200.109,952 126.08,953 150.954,955 0.595,956 0.343,957 0.169,958 0.09,959 24,960 11,961 0.059,962 3,963 1,964 1.087,965 4.151,966 282.053,967 0.087,968 23,969 144.825,974 20.928,975 8.429,976 4.561,978 126.08,979 17.406,980 4.119,984 3.044,987 477.142,988 45,993 24.288,997 -2.291,999 49.676,1000 54.381,1001 0.31,1002 0.631,1003 0.788,1004 0.887,1005 0.93,1006 0.93,1007 5.085,1008 1.622,1009 5.994,1010 4.683,1011 4.595,1012 5.1,1013 3.368,1014 6.841,1015 4.512,1016 6.306,1017 1.241,1018 7.589,1019 4.183,1020 4.369,1021 4.913,1022 3.911,1023 7.978,1024 4.17,1025 7.626,1026 1.118,1027 9.296,1028 2.905,1029 6.275,1030 7.255,1031 5.547,1032 10.996,1033 6.098,1034 8.98,1035 1,1036 11.067,1037 2.678,1038 6.847,1039 7.836,1040 6.781,1041 12.912,1042 6.559,1043 10.365,1044 1,1045 12.881,1046 2.275,1047 8.271,1048 9.683,1049 8.186,1050 15.516,1051 7.981,1052 11.772,1053 0.898,1054 14.722,1055 2.238,1056 9.179,1057 10.616,1058 9.529,1059 17.73,1060 8.789,1061 13.195,1062 0.635,1063 16.584,1064 2.136,1065 10.432,1066 12.243,1067 10.898,1068 20.212,1069 10.013,1070 3.349,1071 -0.046,1072 18.461,1073 1.625,1074 11.486,1075 13.36,1076 12.257,1077 22.554,1078 10.977,1079 3.055,1080 11.845,1081 20.35,1082 -0.113,1083 12.679,1084 14.874,1085 13.62,1086 25.004,1087 12.12,1088 2.902,1089 9.902,1090 22.249,1091 4.03,1092 13.799,1093 16.095,1094 14.981,1095 27.405,1096 13.155,1097 2.637,1098 9.4,1099 24.157,1100 3.924,1101 14.975,1102 17.547,1103 16.343,1104 29.851,1105 14.267,1106 2.393,1107 8.508,1108 26.072,1109 3.58,1110 16.127,1111 18.83,1112 17.705,1113 32.282,1114 15.333,1115 1.996,1116 7.298,1117 27.993,1118 3.498,1119 17.301,1120 20.247,1121 19.067,1122 34.732,1123 16.434,1124 1.823,1125 6.149,1126 29.92,1127 2.934,1128 18.469,1129 21.566,1130 20.429,1131 37.179,1132 17.516,1133 12631,1134 24631,1135 22.364,1136 33.04,1137 52.599,1138 53.012,1139 52.581,1140 51.654,1141 51.341,1142 66.457,1143 14.562,1144 151.648,1145 49.122,1146 5.421,1147 6.572,1148 6.984,1149 5.311,1150 5.349,1151 7.03,1152 5.553,1153 19.306,1154 5.064,1155 16.646,1156 1.547,1157 1.559,1158 1.547,1159 1.519,1160 1.51,1161 1.955,1162 0.428,1163 4.46,1164 1.445,1165 4.04,1166 4.064,1167 3.993,1168 3.961,1169 8.516,1170 3.964,1171 3.942,1172 3.962,1173 3.903,1174 3.875,1175 7.999,1176 3.877,1177 3.781,1178 3.821,1179 3.719,1180 3.657,1181 7.999,1182 3.664,1183 3.59,1184 3.62,1185 3.583,1186 3.388,1187 7.428,1188 3.417,1189 3.468,1190 3.512,1191 3.392,1192 3.23,1193 7.418,1194 3.268,1195 3.204,1196 3.251,1197 3.107,1198 2.977,1199 4.944,1200 2.986,1201 3.01,1202 3.045,1203 2.905,1204 2.854,1205 4.78,1206 2.867,1207 2.916,1208 2.96,1209 2.82,1210 2.775,1211 4.663,1212 2.788,1213 0.132,1214 0.134,1215 0.211,1216 0.125,1217 0.099,1218 4.5,1219 0.119,1220 4.572,1221 0.115,1222 7.182,1223 0.348,1224 4.242,1225 0.09,1226 3.349,1227 4.03,1228 3.904,1229 11.845,1230 3.064,1231 1.974,1232 1.953,1233 2.06,1234 2.058,1235 1.224,1236 2.059,1237 1.925,1238 1.907,1239 2.014,1240 2.019,1241 1.126,1242 2.015,1243 1.718,1244 1.683,1245 1.844,1246 1.851,1247 1.044,1248 1.85,1249 1.565,1250 1.513,1251 1.781,1252 1.808,1253 0.908,1254 1.796,1255 1.315,1256 1.3,1257 1.434,1258 1.612,1259 0.611,1260 1.526,1261 1.157,1262 1.106,1263 1.329,1264 1.381,1265 0.361,1266 1.385,1267 0.921,1268 0.872,1269 1.181,1270 1.15,1271 0.244,1272 1.123,1273 0.886,1274 0.86,1275 1.156,1276 1.067,1277 0.218,1278 1.107,1279 4.234,1281 5.58,1283 7.112,1284 2.708,1285 8.721,1286 5.198,1287 10.367,1291 37.75,1295 0.889,1297 5.764,1300 1.569,1301 -4.955,1305 33.078,1306 83.04,1307 169.23,1308 211.284,1309 237.814,1310 249.323,1311 249.323,1312 72.913,1313 7.929,1314 59.5,1315 59.5,1316 25,1317 12.648,1318 4.392,1319 3.585,1320 49.542,1321 135,1322 128,1323 0.177,1324 198.791,1325 361.86,1326 476.811,1327 32214,1328 6.3,1329 22.01,1330 0.71,1331 0.523,1332 19.51,1333 16.225,1334 14.826,1335 0.436,1336 0.279,1337 9.314,1338 14.104,1339 9.192,1340 7.518,1341 13.614,1342 9.497,1343 14.107,1344 0.288,1345 0.144,1346 12.196,1347 7.044,1348 11.629,1349 0.185,1350 0.079,1351 10.499,1352 4.974,1353 8.955,1354 0.116,1355 0.044,1356 8.414,1357 3.391,1358 7.289,1359 0.074,1360 0.024,1361 6.885,1362 2.343,1363 0.281,1364 94.341,1365 0.211,1366 29.217,1367 0.478,1368 166,1369 716.83,1370 194.68,1371 604.615,1372 784.94,1373 560,1374 195,1375 540.657,1376 219.246,1377 527.938,1378 793.16,1379 495,1380 5.947}
{0 CHEMBL2333373,1 1.714,2 13.857,3 4.097,4 16.782,5 123.17,6 8.616,7 0.474,8 4.139,9 4.232,10 3.807,11 3.694,12 5.373,13 3.708,14 4.685,15 4.82,16 4.25,17 4.069,18 6.295,19 4.079,20 4.938,21 5.087,22 4.337,23 4.255,24 6.42,25 4.242,26 5.018,27 5.197,28 4.242,29 4.26,30 6.287,31 4.221,32 5.019,33 5.209,34 4.202,35 4.227,36 6.33,37 4.185,38 4.963,39 5.186,40 4.061,41 4.152,42 6.102,43 4.084,44 4.85,45 5.053,46 4.056,47 4.059,48 6.075,49 4.013,50 4.788,51 4.964,52 4.072,53 4.005,54 6.296,55 3.965,56 0.2,57 0.97,58 8.097,59 5.303,60 35.45,61 5.56,62 1.018,63 1.921,64 18.45,65 8.767,66 156.874,67 9.459,68 1.084,69 1.802,70 24.975,71 11.219,72 174.705,73 12.507,74 0.897,75 1.909,76 29.529,77 12.751,78 121.22,79 14.68,80 1.082,81 2.02,82 31.081,83 12.915,84 158.118,85 14.532,86 0.887,87 1.791,88 31.653,89 12.611,90 136.07,91 15.617,92 0.825,93 1.491,94 27.154,95 10.8,96 117.499,97 13.515,98 1.132,99 1.51,100 23.825,101 9.792,102 161.772,103 11.707,104 58,105 55,106 0.279,107 0.59,108 0.738,109 0.843,110 0.876,111 0.876,112 3.588,113 0.85,114 -4.61,115 -4.53,116 -4.26,119 46.4,120 1,125 3,132 1,142 11,143 5,144 2,157 1,158 2,172 15,174 1,175 7,178 1,180 3,183 18,186 1,187 9,192 2,195 14,199 12,204 2,207 10,211 1,212 10,217 2,220 9,224 10,229 2,232 10,236 2,237 8,245 11,250 7,253 2,258 13,263 2,271 11,275 2300,276 22.85,277 22.85,278 22.85,279 22.85,280 22.85,281 20.414,282 22.965,283 13.169,284 23.313,285 18.732,286 18.732,287 18.732,288 18.732,289 18.732,290 14.859,291 28.185,292 6.246,293 19.515,294 4.093,295 2.181,296 1.269,297 0.625,298 0.42,299 0.42,300 4.279,305 1,306 1027,307 4.472,311 328.151,312 111.094,316 176.684,318 2.318,319 62.64,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 79.5,331 485,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.053,338 3.904,339 11.845,340 3.065,341 4.384,342 3.707,343 6.432,344 4.036,345 3.06,346 3.925,347 1.907,348 9.91,349 2.986,350 4.226,351 3.533,352 6.271,353 3.91,354 2.921,355 3.657,356 1.23,357 9.451,358 2.87,359 4.072,360 3.193,361 6.01,362 3.689,363 2.713,364 3.559,365 0.86,366 8.635,367 2.64,368 3.731,369 3.13,370 5.576,371 3.407,372 2.437,373 3.039,374 0.766,375 7.302,376 2.363,377 3.671,378 2.829,379 5.396,380 3.321,381 2.373,382 2.925,383 0.521,384 7.078,385 2.188,386 3.367,387 2.386,388 5.183,389 2.97,390 1.996,391 2.581,392 0.149,393 6.147,394 1.959,395 3.22,396 2.36,397 4.544,398 2.915,399 1.919,400 2.356,402 4.783,403 1.853,404 2.909,405 2.197,406 4.412,407 2.586,408 1.646,409 2.032,411 4.367,412 1.538,413 2.862,414 2.057,415 4.179,416 2.4,417 1.402,418 1.999,420 3.722,421 1.395,422 2.615,423 1.667,424 3.946,425 2.201,426 1.207,427 1.652,428 2.873,429 1.183,430 2.548,431 1.502,432 3.663,433 2.092,434 1.091,435 1.5,436 2.531,437 1.087,438 2.5,439 1.244,440 3.478,441 2,442 1,443 1.466,445 2.275,446 1,447 2.348,448 1.095,449 3.414,450 1.889,451 0.899,452 1.179,454 2.244,455 0.869,456 2.108,457 1,458 3.37,459 1.667,460 0.635,461 0.899,463 1.626,464 0.642,465 15.99,466 0.457,467 1.145,468 0.033,469 45.75,470 1.307,471 23.5,472 0.671,473 22.25,474 0.636,475 28.797,476 0.823,477 38.01,478 0.679,479 42.556,480 1.216,481 9.524,482 0.272,483 7.089,484 0.203,485 0.147,486 0.031,487 0.338,490 3,493 0.585,494 0.964,495 0.625,496 1.025,497 0.563,498 0.897,499 0.538,500 0.75,501 0.703,502 0.924,503 0.437,504 0.895,505 0.651,506 0.777,507 0.886,508 0.986,509 0.539,510 1.02,511 0.789,512 0.858,513 0.975,514 1.075,515 0.722,516 1.103,517 0.921,518 0.949,519 1.073,520 1.055,521 0.95,522 1.106,523 0.709,524 0.817,525 0.918,526 1.007,527 0.669,528 1.035,529 0.582,530 0.693,531 0.786,532 0.944,533 0.455,534 0.955,535 0.528,536 0.642,537 0.909,538 1.017,539 0.528,540 1.106,541 9,542 0.282,543 4.667,544 2.688,545 1.948,546 1.198,547 0.947,548 0.618,549 0.474,550 0.339,551 18191,552 67899,553 2.017,554 37.5,556 17,559 1,560 3,564 1.766,565 1.85,566 3.753,567 -0.345,569 1,573 96.007,574 1.714,575 3.626,576 4.538,577 5.182,578 5.388,579 5.388,580 3.204,581 4.515,582 5.097,583 3.949,584 2349.93,585 8.944,586 37209,591 325.212,592 1.652,593 5.033,594 0.237,595 0.008,596 0.085,597 0.045,598 0.036,599 0.023,600 0.021,601 0.014,602 0.011,603 0.009,604 0.489,605 0.17,606 0.88,607 1.083,608 190.718,609 -0.031,610 -0.056,611 0.024,612 -0.021,613 -0.067,614 0.013,615 0.281,616 0.26,617 0.107,618 0.058,619 0.294,620 0.021,621 0.09,622 0.023,623 -0.048,624 -0.026,625 0.151,626 -0.074,627 -0.079,628 -0.119,629 -0.075,630 -0.105,631 -0.027,632 -0.098,633 -0.084,634 -0.056,635 -0.126,636 -0.069,637 -0.089,638 -0.099,639 -0.019,640 -0.016,641 0.058,642 -0.018,643 -0.018,644 0.037,645 0.06,646 -0.042,647 0.155,648 0.018,649 0.092,650 0.093,651 0.261,652 0.149,653 0.009,654 -0.057,655 0.211,656 -0.121,657 6.225,658 6.066,659 0.657,660 43.657,661 1.032,662 1.133,663 3.378,664 11.414,665 0.679,666 3.664,667 4.025,668 4.248,669 4.466,670 4.7,671 4.844,672 5.024,673 5.142,674 5.226,675 5.371,676 8.177,677 0.676,678 482.49,679 3.664,680 5.231,681 6.075,682 6.961,683 7.822,684 8.709,685 9.576,686 10.463,687 11.335,688 12.221,689 3.6,696 2,704 11,709 7,711 18,716 1,719 1,729 1,731 56,733 21,734 3,735 38,737 59,738 26,739 18,740 7,741 11,742 2,746 4,747 5,752 2,757 1,761 21,762 5,766 3,771 3,775 3,779 3,781 21,782 9,783 1,784 9,790 2,794 0.75,795 4,812 3,813 1,817 1,826 1,840 3,844 1,846 3,848 35,854 3,855 1,856 1,859 1,860 1,869 3,870 7.1,873 3,875 1,877 18.917,878 10.462,879 7.472,880 3.225,881 3.433,882 1.415,883 0.989,884 6.952,885 11.707,886 3.932,887 4.516,888 5.042,889 5.551,890 6.096,891 6.372,892 6.796,893 7.07,894 7.346,895 7.7,896 1,897 60,898 13.868,900 6.87,901 8.34,902 23.644,904 19.372,905 2.84,906 99.417,910 235.422,911 168.098,912 21.135,914 86.435,915 44.88,917 168.098,918 321.857,919 66.015,920 8.825,921 29.939,922 104.239,923 89.978,924 79.808,926 235.422,927 7.76,928 235.422,929 189.233,930 131.315,933 235.422,934 131.315,937 46.524,938 142.71,941 280.302,942 107.57,943 168.098,946 243.182,947 47.275,948 116.188,949 18.011,950 131.315,951 235.422,952 152.45,953 168.098,955 0.596,956 0.333,957 0.166,958 0.09,959 26,960 13,961 0.068,962 4,963 1,964 1.087,965 4.43,966 330.318,967 0.087,968 23,969 170.77,974 24.5,975 9.931,976 5.723,978 152.45,979 17.411,984 3.437,986 18.011,987 555.97,988 50,993 35.834,997 -2.517,999 57.771,1000 63.421,1001 0.295,1002 0.624,1003 0.781,1004 0.892,1005 0.928,1006 0.928,1007 5.196,1008 1.919,1009 6.107,1010 6.147,1011 4.71,1012 5.204,1013 3.557,1014 6.948,1015 4.639,1016 6.423,1017 1.646,1018 7.698,1019 4.783,1020 4.511,1021 5.085,1022 3.987,1023 8.055,1024 4.339,1025 7.745,1026 1.402,1027 9.396,1028 4.367,1029 6.382,1030 7.354,1031 5.612,1032 11.069,1033 6.224,1034 9.099,1035 1.207,1036 11.157,1037 3.722,1038 6.948,1039 7.97,1040 6.803,1041 12.955,1042 6.685,1043 10.481,1044 1.091,1045 12.959,1046 2.873,1047 8.358,1048 9.775,1049 8.201,1050 15.558,1051 8.09,1052 11.883,1053 1,1054 14.789,1055 2.531,1056 9.254,1057 10.729,1058 9.535,1059 17.756,1060 8.888,1061 13.3,1062 0.899,1063 16.64,1064 2.275,1065 10.499,1066 12.332,1067 10.901,1068 20.236,1069 10.104,1070 3.349,1071 0.635,1072 18.508,1073 2.244,1074 11.543,1075 13.463,1076 12.258,1077 22.571,1078 11.06,1079 3.06,1080 11.845,1081 20.389,1082 1.626,1083 12.731,1084 14.963,1085 13.62,1086 25.019,1087 12.199,1088 2.921,1089 9.91,1090 22.282,1091 4.053,1092 13.844,1093 16.194,1094 14.981,1095 27.416,1096 13.227,1097 2.713,1098 9.451,1099 24.184,1100 3.925,1101 15.016,1102 17.638,1103 16.343,1104 29.861,1105 14.336,1106 2.437,1107 8.635,1108 26.095,1109 3.657,1110 16.162,1111 18.928,1112 17.705,1113 32.289,1114 15.399,1115 2.373,1116 7.302,1117 28.012,1118 3.559,1119 17.333,1120 20.341,1121 19.067,1122 34.739,1123 16.498,1124 1.996,1125 7.078,1126 29.936,1127 3.039,1128 18.497,1129 21.666,1130 20.429,1131 37.184,1132 17.578,1133 17645,1134 34406,1135 24.561,1136 38.017,1137 58.648,1138 59.616,1139 59.271,1140 57.598,1141 57.298,1142 73.645,1143 18.674,1144 169.576,1145 55.277,1146 5.421,1147 6.572,1148 6.73,1149 5.312,1150 5.349,1151 7.053,1152 5.553,1153 19.306,1154 5.065,1155 21.796,1156 1.543,1157 1.569,1158 1.56,1159 1.516,1160 1.508,1161 1.938,1162 0.491,1163 4.463,1164 1.455,1165 4.052,1166 4.076,1167 4.005,1168 3.984,1169 8.516,1170 3.985,1171 3.949,1172 3.968,1173 3.91,1174 3.881,1175 7.999,1176 3.883,1177 3.827,1178 3.859,1179 3.768,1180 3.727,1181 7.999,1182 3.73,1183 3.607,1184 3.642,1185 3.593,1186 3.402,1187 7.432,1188 3.429,1189 3.519,1190 3.555,1191 3.445,1192 3.288,1193 7.427,1194 3.316,1195 3.456,1196 3.502,1197 3.367,1198 3.226,1199 7.418,1200 3.259,1201 3.204,1202 3.251,1203 3.107,1204 2.977,1205 4.88,1206 2.986,1207 3.013,1208 3.049,1209 2.906,1210 2.864,1211 4.696,1212 2.876,1213 0.118,1214 0.12,1215 0.189,1216 0.112,1217 0.088,1218 4.5,1219 0.107,1220 4.572,1221 0.103,1222 7.182,1223 0.312,1224 4.242,1225 0.081,1226 3.349,1227 4.053,1228 3.904,1229 11.845,1230 3.065,1231 1.996,1232 1.977,1233 2.082,1234 2.07,1235 1.242,1236 2.074,1237 1.927,1238 1.909,1239 2.017,1240 2.023,1241 1.136,1242 2.019,1243 1.779,1244 1.752,1245 1.894,1246 1.896,1247 1.055,1248 1.895,1249 1.566,1250 1.513,1251 1.783,1252 1.81,1253 1.001,1254 1.798,1255 1.442,1256 1.392,1257 1.701,1258 1.685,1259 0.719,1260 1.687,1261 1.315,1262 1.3,1263 1.436,1264 1.612,1265 0.625,1266 1.526,1267 1.161,1268 1.112,1269 1.329,1270 1.382,1271 0.361,1272 1.387,1273 0.926,1274 0.875,1275 1.183,1276 1.153,1277 0.25,1278 1.172,1279 4.344,1281 5.694,1283 7.22,1284 2.708,1285 8.824,1286 5.198,1287 10.467,1289 1.43,1291 37.94,1295 0.765,1296 2.747,1297 5.799,1300 1.546,1301 -4.975,1305 37.847,1306 96.007,1307 203.065,1308 254.139,1309 290.192,1310 301.702,1311 301.702,1312 93.383,1313 8.273,1314 75.71,1315 75.71,1316 25,1317 12.755,1318 4.459,1319 3.7,1320 59.635,1321 172,1322 164,1323 0.169,1324 228.637,1325 419.91,1326 549.635,1327 50186,1328 5.4,1329 25.165,1330 0.719,1331 0.534,1332 22.665,1333 18.686,1334 16.613,1335 0.437,1336 0.283,1337 10.566,1338 15.819,1339 10.366,1340 8.511,1341 15.402,1342 10.763,1343 16.131,1344 0.293,1345 0.147,1346 14.22,1347 8.064,1348 12.607,1349 0.183,1350 0.08,1351 11.477,1352 5.495,1353 9.991,1354 0.116,1355 0.045,1356 9.45,1357 3.837,1358 8.025,1359 0.074,1360 0.024,1361 7.621,1362 2.638,1363 0.269,1364 105.553,1365 0.202,1366 32.388,1367 0.451,1368 186,1369 787.253,1370 217.561,1371 670.972,1372 869.03,1373 620,1374 217,1375 598.434,1376 242.741,1377 585.625,1378 874.94,1379 549,1380 6.623}
{0 CHEMBL2333374,1 1.75,2 13.206,3 4.757,4 22.63,5 119.854,6 8.951,7 0.579,8 4.093,9 4.185,10 3.802,11 3.664,12 5.327,13 3.685,14 4.64,15 4.766,16 4.253,17 4.063,18 6.249,19 4.082,20 4.877,21 5.022,22 4.328,23 4.231,24 6.355,25 4.219,26 4.961,27 5.135,28 4.193,29 4.204,30 6.229,31 4.169,32 4.938,33 5.141,34 4.119,35 4.129,36 6.224,37 4.089,38 4.825,39 5.041,40 4.002,41 4.044,42 5.976,43 3.993,44 4.732,45 4.925,46 4.005,47 3.968,48 5.964,49 3.938,50 4.681,51 4.859,52 4.017,53 3.91,54 6.199,55 3.881,56 0.215,57 0.954,58 6.714,59 4.752,60 32.691,61 4.775,62 0.983,63 1.914,64 15.486,65 7.939,66 149.627,67 7.946,68 0.972,69 1.757,70 21.195,71 10.635,72 151.218,73 11.757,74 0.9,75 1.848,76 25.781,77 11.639,78 108.828,79 12.695,80 1.07,81 1.896,82 29.016,83 11.856,84 145.11,85 13.341,86 0.816,87 1.638,88 26.384,89 10.833,90 117.694,91 12.979,92 0.767,93 1.386,94 22.456,95 9.219,96 98.81,97 11.052,98 1.066,99 1.412,100 20.379,101 8.518,102 145.926,103 10,104 28,105 56,106 0.286,107 0.614,108 0.74,109 0.838,110 0.874,111 0.874,112 3.561,113 0.829,114 -4.55,115 -4.47,116 -4.21,119 48.1,125 3,132 1,142 10,143 6,144 1,146 1,151 1,157 1,158 1,168 1,172 15,174 1,175 8,180 1,183 18,186 1,187 11,192 2,195 14,199 12,204 2,207 8,211 1,212 10,217 1,220 7,224 10,229 2,232 8,236 2,237 6,242 2,245 9,249 2,250 5,258 11,263 2,266 2,271 11,275 2094,276 22.643,277 22.643,278 22.643,279 22.643,280 22.643,281 20.001,282 16.125,283 12.89,284 23.149,285 18.72,286 18.72,287 18.72,288 18.72,289 18.72,290 14.537,291 18.426,292 6.09,293 19.566,294 3.95,295 1.953,296 1.182,297 0.582,298 0.361,299 0.361,300 4.265,304 1,305 1,306 988,307 4.062,310 83.888,311 287.469,312 102.801,314 142.637,316 164.116,318 2.23,319 56.529,322 1,323 0.83,324 1,325 0.4,326 0.5,327 1,328 1,329 0.82,330 77,331 449,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.392,338 3.904,339 11.845,340 3.065,341 4.476,342 3.707,343 6.434,344 4.055,345 3.075,346 3.967,347 1.23,348 9.931,349 3.018,350 4.311,351 3.196,352 6.32,353 3.956,354 2.975,355 3.92,356 0.86,357 9.613,358 2.899,359 4.195,360 3.13,361 6.152,362 3.804,363 2.822,364 3.569,365 0.766,366 9.078,367 2.765,368 3.867,369 2.969,370 5.912,371 3.504,372 2.527,373 3.309,374 0.521,375 8.265,376 2.463,377 3.68,378 2.602,379 5.576,380 3.325,381 2.385,382 2.93,384 7.298,385 2.187,386 3.227,387 2.372,388 5.184,389 2.941,390 1.989,391 2.37,393 6.148,394 1.863,395 3.035,396 2.199,397 4.519,398 2.603,399 1.668,400 2.302,402 4.577,403 1.55,404 2.998,405 2.072,406 4.394,407 2.515,408 1.534,409 2.211,411 4.258,412 1.503,413 2.893,414 1.667,415 4.261,416 2.475,417 1.483,418 2.016,420 3.928,421 1.469,422 2.579,423 1.535,424 3.947,425 2.192,426 1.199,427 1.58,428 2.875,429 1.17,430 2.534,431 1.513,432 3.664,433 2.016,434 1.047,435 1.5,436 2.388,437 1.01,438 2.5,439 1.23,440 3.439,441 2,442 1,443 1.469,445 2.275,446 1,447 2.351,448 1.045,449 3.414,450 1.892,451 0.903,452 1.184,454 2.242,455 0.872,456 2.118,457 1,458 3.371,459 1.67,460 0.638,461 0.906,463 1.631,464 0.646,465 15.557,466 0.458,467 1.052,468 0.031,469 45.5,470 1.338,471 23.5,472 0.691,473 22,474 0.647,475 26.911,476 0.791,477 36.043,478 0.693,479 40.362,480 1.187,481 9.385,482 0.276,483 6.907,484 0.203,485 0.098,486 0.032,487 0.347,490 3,493 0.573,494 0.886,495 0.589,496 0.952,497 0.554,498 0.836,499 0.573,500 0.722,501 0.725,502 0.879,503 0.435,504 0.867,505 0.538,506 0.79,507 0.814,508 1.044,509 0.405,510 1.055,511 0.84,512 0.861,513 1.081,514 1.121,515 0.779,516 1.19,517 0.924,518 0.902,519 1.058,520 0.998,521 0.96,522 1.06,523 0.761,524 0.824,525 0.935,526 0.993,527 0.715,528 1.023,529 0.617,530 0.699,531 0.83,532 0.943,533 0.447,534 0.972,535 0.49,536 0.618,537 0.882,538 0.973,539 0.456,540 1.073,541 8,542 0.24,543 5.111,544 2.444,545 1.894,546 1.111,547 0.813,548 0.571,549 0.436,550 0.299,551 17940,552 64067,553 2.102,554 34.6,556 16,557 1,559 1,564 1.758,565 1.952,566 3.692,567 -0.334,573 91.003,574 1.75,575 3.748,576 4.518,577 5.118,578 5.34,579 5.34,580 3.125,581 4.631,582 5.057,583 3.89,584 2182.43,585 8.859,586 33521.3,591 296.423,592 1.583,593 5.007,594 0.211,595 0.007,596 0.091,597 0.041,598 0.037,599 0.024,600 0.019,601 0.013,602 0.011,603 0.008,604 0.461,605 0.33,606 0.75,607 0.856,608 183.082,609 -0.016,610 -0.004,611 0.03,612 0.001,613 -0.065,614 0.025,615 0.247,616 0.271,617 0.048,618 0.077,619 0.3,620 0.011,621 0.157,622 -0.017,623 0.015,624 -0.081,625 0.23,626 -0.092,627 -0.109,628 -0.142,629 -0.167,630 -0.161,631 -0.056,632 -0.186,633 -0.07,634 -0.038,635 -0.047,636 -0.004,637 -0.072,638 -0.009,639 -0.034,640 -0.017,641 0.07,642 0.004,643 -0.03,644 0.064,645 0.044,646 -0.048,647 0.121,648 0.012,649 0.09,650 0.071,651 0.308,652 0.164,653 0.062,654 -0.017,655 0.276,656 -0.077,657 6.212,658 6.064,659 0.765,660 39.516,661 1.034,662 1.132,663 3.317,664 11,665 0.693,666 3.664,667 4.043,668 4.317,669 4.543,670 4.771,671 4.934,672 5.124,673 5.263,674 5.342,675 5.517,676 7.89,677 0.694,678 465.46,679 3.664,680 5.242,681 6.107,682 7,683 7.877,684 8.77,685 9.651,686 10.543,687 11.426,688 12.318,689 5.8,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,716 1,719 1,729 1,731 52,733 24,734 3,735 38,737 56,738 25,739 19,740 8,741 10,742 2,746 5,747 7,752 1,757 1,761 21,762 4,766 2,771 2,775 2,779 3,781 18,782 8,783 1,784 9,790 3,794 0.6,795 3,803 1,811 1,812 3,813 1,815 1,817 1,840 3,846 3,848 34,854 3,856 1,859 1,860 1,869 3,870 5.8,873 2,875 1,877 17.417,878 9.495,879 7.167,880 3.027,881 4.207,882 1.492,883 1.032,884 5.626,885 12.76,886 3.951,887 4.588,888 5.201,889 5.75,890 6.285,891 6.65,892 7.119,893 7.491,894 7.759,895 8.209,896 0.889,897 60,898 13.466,900 6.78,901 8.248,902 23.136,904 19.459,905 2.748,906 93.417,910 200.109,911 156.1,912 36.45,914 61.29,915 44.88,917 156.1,918 261.398,919 81.331,921 11.928,922 103.81,923 76.791,924 98.432,925 11.771,926 188.338,927 7.76,928 200.109,929 192.55,930 106.17,933 200.109,934 106.17,937 38.495,938 137.392,939 16.663,941 244.989,942 97.74,943 156.1,946 207.868,947 44.53,948 106.934,949 16.663,950 122.833,951 200.109,952 142.62,953 156.1,955 0.602,956 0.351,957 0.174,958 0.09,959 29,960 13,961 0.054,962 3,963 2,964 1.154,965 4.438,966 328.873,967 0.154,968 26,969 164.219,974 22.183,975 8.623,976 4.451,977 1.842,978 125.957,979 18.043,980 4.221,981 2.837,984 3.084,986 16.663,987 498.829,988 51,993 24.459,997 -2.296,999 53.778,1000 58.879,1001 0.307,1002 0.657,1003 0.793,1004 0.898,1005 0.937,1006 0.937,1007 5.218,1008 1.668,1009 6.138,1010 6.148,1011 4.727,1012 5.276,1013 3.368,1014 6.997,1015 4.652,1016 6.456,1017 1.534,1018 7.739,1019 4.577,1020 4.511,1021 5.173,1022 3.911,1023 8.116,1024 4.332,1025 7.789,1026 1.483,1027 9.447,1028 4.258,1029 6.418,1030 7.512,1031 5.547,1032 11.143,1033 6.26,1034 9.157,1035 1.199,1036 11.216,1037 3.928,1038 6.995,1039 8.208,1040 6.781,1041 13.036,1042 6.737,1043 10.555,1044 1.047,1045 13.025,1046 2.875,1047 8.414,1048 10.038,1049 8.186,1050 15.636,1051 8.155,1052 11.974,1053 1,1054 14.86,1055 2.388,1056 9.321,1057 11.097,1058 9.529,1059 17.83,1060 8.973,1061 13.408,1062 0.903,1063 16.714,1064 2.275,1065 10.568,1066 12.716,1067 10.898,1068 20.304,1069 10.194,1070 3.349,1071 0.638,1072 18.583,1073 2.242,1074 11.618,1075 13.957,1076 12.257,1077 22.631,1078 11.163,1079 3.075,1080 11.845,1081 20.464,1082 1.631,1083 12.806,1084 15.48,1085 13.62,1086 25.072,1087 12.306,1088 2.975,1089 9.931,1090 22.355,1091 4.392,1092 13.92,1093 16.818,1094 14.981,1095 27.462,1096 13.343,1097 2.822,1098 9.613,1099 24.254,1100 3.967,1101 15.09,1102 18.297,1103 16.343,1104 29.9,1105 14.455,1106 2.527,1107 9.078,1108 26.161,1109 3.92,1110 16.235,1111 19.687,1112 17.705,1113 32.322,1114 15.523,1115 2.385,1116 8.265,1117 28.075,1118 3.569,1119 17.403,1120 21.149,1121 19.067,1122 34.766,1123 16.625,1124 1.989,1125 7.298,1126 29.995,1127 3.309,1128 18.565,1129 22.568,1130 20.429,1131 37.207,1132 17.708,1133 16732,1134 31905,1135 25.255,1136 36.046,1137 59.383,1138 59.673,1139 59.308,1140 58.36,1141 58.031,1142 76.486,1143 14.562,1144 174.774,1145 55.783,1146 5.421,1147 6.572,1148 6.71,1149 5.313,1150 5.349,1151 7.392,1152 5.553,1153 19.306,1154 5.065,1155 17.825,1156 1.563,1157 1.57,1158 1.561,1159 1.536,1160 1.527,1161 2.013,1162 0.383,1163 4.599,1164 1.468,1165 4.122,1166 4.156,1167 4.083,1168 4.04,1169 8.516,1170 4.045,1171 3.981,1172 4.008,1173 3.94,1174 3.893,1175 7.999,1176 3.898,1177 3.899,1178 3.922,1179 3.853,1180 3.809,1181 7.999,1182 3.815,1183 3.62,1184 3.66,1185 3.603,1186 3.419,1187 7.428,1188 3.445,1189 3.494,1190 3.529,1191 3.439,1192 3.25,1193 7.418,1194 3.294,1195 3.321,1196 3.386,1197 3.246,1198 3.141,1199 5.101,1200 3.155,1201 3.202,1202 3.251,1203 3.086,1204 2.976,1205 4.833,1206 2.985,1207 3,1208 3.035,1209 2.899,1210 2.812,1211 4.664,1212 2.833,1213 0.118,1214 0.12,1215 0.189,1216 0.112,1217 0.088,1218 4.5,1219 0.116,1220 4.572,1221 0.103,1222 7.182,1223 0.312,1224 4.242,1225 0.081,1226 3.349,1227 4.392,1228 3.904,1229 11.845,1230 3.065,1231 2.007,1232 1.99,1233 2.084,1234 2.069,1235 1.253,1236 2.074,1237 1.928,1238 1.91,1239 2.017,1240 2.022,1241 1.143,1242 2.018,1243 1.796,1244 1.776,1245 1.894,1246 1.881,1247 1.067,1248 1.886,1249 1.566,1250 1.514,1251 1.783,1252 1.81,1253 1.022,1254 1.798,1255 1.36,1256 1.304,1257 1.524,1258 1.696,1259 0.651,1260 1.648,1261 1.313,1262 1.277,1263 1.424,1264 1.612,1265 0.454,1266 1.526,1267 1.158,1268 1.103,1269 1.328,1270 1.385,1271 0.36,1272 1.386,1273 0.952,1274 0.904,1275 1.181,1276 1.15,1277 0.218,1278 1.125,1279 4.344,1281 5.707,1282 2.398,1283 7.251,1284 4.727,1285 8.87,1286 6.804,1287 10.529,1291 37.928,1295 0.864,1297 5.821,1300 1.576,1301 -4.962,1305 36.1,1306 91.003,1307 194.885,1308 234.939,1309 266.158,1310 277.668,1311 277.668,1312 73.713,1313 8.553,1314 75.29,1315 75.29,1316 30,1317 12.847,1318 4.644,1319 3.807,1320 50.155,1321 161,1322 144,1323 0.15,1324 214.449,1325 381.56,1326 515.017,1327 71288,1328 5.8,1329 23.872,1330 0.702,1331 0.521,1332 21.372,1333 17.725,1334 16.292,1335 0.429,1336 0.276,1337 10.302,1338 15.507,1339 10.172,1340 8.305,1341 15.081,1342 10.5,1343 15.733,1344 0.281,1345 0.142,1346 13.822,1347 7.961,1348 13.309,1349 0.18,1350 0.078,1351 12.179,1352 5.748,1353 10.516,1354 0.113,1355 0.043,1356 9.976,1357 3.971,1358 8.382,1359 0.072,1360 0.023,1361 7.978,1362 2.72,1363 0.239,1364 103.593,1365 0.199,1366 31.601,1367 0.402,1368 188,1369 767.163,1370 218.401,1371 655.323,1372 862.26,1373 608,1374 224,1375 608.714,1376 250.327,1377 595.855,1378 895.73,1379 560,1380 6.587}
{0 CHEMBL2333375,1 1.75,2 13.206,3 4.62,4 21.344,5 120.103,6 8.951,7 0.579,8 4.093,9 4.185,10 3.802,11 3.664,12 5.328,13 3.685,14 4.64,15 4.766,16 4.253,17 4.063,18 6.247,19 4.082,20 4.877,21 5.02,22 4.329,23 4.235,24 6.356,25 4.222,26 4.973,27 5.152,28 4.191,29 4.212,30 6.232,31 4.174,32 4.929,33 5.128,34 4.116,35 4.135,36 6.216,37 4.093,38 4.83,39 5.044,40 4.003,41 4.055,42 5.978,43 4,44 4.749,45 4.948,46 4.005,47 3.971,48 5.972,49 3.939,50 4.671,51 4.843,52 4.016,53 3.903,54 6.189,55 3.878,56 0.215,57 0.954,58 6.714,59 4.752,60 32.524,61 4.775,62 0.983,63 1.914,64 15.486,65 7.939,66 150.674,67 7.946,68 0.967,69 1.761,70 20.926,71 10.633,72 148.313,73 11.703,74 0.923,75 1.858,76 26.723,77 11.833,78 112.607,79 13.036,80 1.05,81 1.885,82 28.426,83 11.906,84 143.695,85 13.334,86 0.802,87 1.644,88 26.333,89 11.078,90 115.605,91 13.319,92 0.792,93 1.399,94 23.44,95 9.34,96 102.261,97 11.319,98 1.016,99 1.405,100 19.749,101 8.422,102 144.103,103 9.791,104 28,105 56,106 0.286,107 0.614,108 0.74,109 0.838,110 0.874,111 0.874,112 3.561,113 0.829,114 -4.55,115 -4.47,116 -4.21,119 48.1,125 3,132 1,142 10,143 6,144 1,145 1,152 1,157 1,158 1,168 1,172 15,174 1,175 7,180 2,183 18,186 1,187 11,192 2,195 15,199 12,204 1,207 9,211 1,212 9,217 1,220 7,224 10,229 2,232 6,236 2,237 10,242 2,245 9,250 3,258 11,262 2,263 3,266 2,271 12,275 2094,276 22.643,277 22.643,278 22.643,279 22.643,280 22.643,281 20.001,282 16.125,283 12.89,284 23.149,285 18.72,286 18.72,287 18.72,288 18.72,289 18.72,290 14.537,291 18.426,292 6.09,293 19.567,294 3.95,295 1.953,296 1.182,297 0.582,298 0.361,299 0.361,300 4.265,304 1,305 1,306 988,307 4.062,310 83.888,311 287.469,312 102.801,314 142.637,316 164.116,318 2.23,319 56.38,322 1,323 0.83,324 1,325 0.4,326 0.5,327 1,328 1,329 0.82,330 77,331 449,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.392,338 3.904,339 11.845,340 3.065,341 4.476,342 3.707,343 6.434,344 4.056,345 3.075,346 3.967,347 1.23,348 9.931,349 3.02,350 4.311,351 3.196,352 6.32,353 3.956,354 2.975,355 3.92,356 0.86,357 9.613,358 2.899,359 4.195,360 3.13,361 6.152,362 3.804,363 2.822,364 3.569,365 0.766,366 9.078,367 2.764,368 3.867,369 2.969,370 5.912,371 3.502,372 2.527,373 3.309,374 0.521,375 8.265,376 2.46,377 3.68,378 2.602,379 5.576,380 3.325,381 2.385,382 2.93,384 7.298,385 2.187,386 3.227,387 2.372,388 5.184,389 2.941,390 1.989,391 2.37,393 6.148,394 1.863,395 3.035,396 2.199,397 4.519,398 2.603,399 1.668,400 2.302,402 4.577,403 1.55,404 2.998,405 2.072,406 4.394,407 2.518,408 1.534,409 2.211,411 4.258,412 1.508,413 2.893,414 1.667,415 4.261,416 2.474,417 1.483,418 2.016,420 3.928,421 1.467,422 2.579,423 1.535,424 3.947,425 2.192,426 1.199,427 1.58,428 2.875,429 1.17,430 2.534,431 1.513,432 3.664,433 2.02,434 1.047,435 1.5,436 2.388,437 1.014,438 2.5,439 1.23,440 3.439,441 2,442 1,443 1.469,445 2.275,446 1,447 2.351,448 1.045,449 3.414,450 1.891,451 0.903,452 1.184,454 2.242,455 0.872,456 2.118,457 1,458 3.371,459 1.67,460 0.638,461 0.906,463 1.631,464 0.645,465 15.557,466 0.458,467 1.052,468 0.031,469 45.5,470 1.338,471 23.5,472 0.691,473 22,474 0.647,475 26.938,476 0.792,477 36.043,478 0.693,479 40.334,480 1.186,481 9.391,482 0.276,483 6.901,484 0.203,485 0.098,486 0.032,487 0.347,490 3,493 0.573,494 0.886,495 0.589,496 0.952,497 0.554,498 0.836,499 0.573,500 0.722,501 0.725,502 0.879,503 0.436,504 0.867,505 0.539,506 0.798,507 0.827,508 1.061,509 0.402,510 1.074,511 0.831,512 0.829,513 1.069,514 1.086,515 0.77,516 1.161,517 0.918,518 0.9,519 1.061,520 1.013,521 0.965,522 1.076,523 0.737,524 0.838,525 0.93,526 1.03,527 0.703,528 1.057,529 0.615,530 0.679,531 0.821,532 0.91,533 0.441,534 0.942,535 0.523,536 0.697,537 0.887,538 1.037,539 0.462,540 1.108,541 8,542 0.24,543 5.111,544 2.444,545 1.894,546 1.111,547 0.813,548 0.571,549 0.436,550 0.299,551 17940,552 64282,553 2.102,554 34.6,556 16,558 1,559 1,564 1.758,565 1.952,566 3.692,567 -0.334,573 91.003,574 1.75,575 3.748,576 4.518,577 5.118,578 5.34,579 5.34,580 3.125,581 4.631,582 5.057,583 3.89,584 2182.43,585 8.859,586 33521.3,591 296.423,592 1.583,593 5.007,594 0.211,595 0.007,596 0.091,597 0.041,598 0.037,599 0.024,600 0.019,601 0.013,602 0.011,603 0.008,604 0.461,605 0.33,606 0.75,607 0.856,608 183.082,609 -0.016,610 -0.004,611 0.03,612 0.001,613 -0.064,614 0.025,615 0.247,616 0.271,617 0.048,618 0.077,619 0.299,620 0.011,621 0.155,622 -0.023,623 -0.004,624 -0.098,625 0.23,626 -0.116,627 -0.105,628 -0.116,629 -0.144,630 -0.124,631 -0.051,632 -0.147,633 -0.066,634 -0.035,635 -0.058,636 -0.013,637 -0.074,638 -0.024,639 -0.02,640 -0.036,641 0.071,642 -0.025,643 -0.024,644 0.038,645 0.044,646 -0.034,647 0.146,648 0.043,649 0.094,650 0.109,651 0.275,652 0.088,653 0.046,654 -0.079,655 0.273,656 -0.116,657 6.211,658 6.065,659 0.765,660 39.516,661 1.034,662 1.132,663 3.317,664 11,665 0.693,666 3.664,667 4.043,668 4.317,669 4.543,670 4.771,671 4.934,672 5.124,673 5.263,674 5.342,675 5.517,676 7.89,677 0.694,678 465.46,679 3.664,680 5.242,681 6.107,682 7,683 7.877,684 8.77,685 9.651,686 10.543,687 11.426,688 12.318,689 5.8,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,716 1,719 1,729 1,731 52,733 24,734 3,735 38,737 56,738 25,739 19,740 8,741 10,742 2,746 5,747 7,752 1,757 1,761 21,762 4,766 2,771 2,775 2,778 1,779 3,781 18,782 8,783 1,784 9,790 3,794 0.6,795 3,803 1,811 1,812 3,813 1,815 1,817 1,840 3,846 3,848 34,854 3,856 1,859 1,860 1,869 3,870 5.8,873 2,875 1,877 17.417,878 9.495,879 7.167,880 3.022,881 4.207,882 1.492,883 1.032,884 5.626,885 12.76,886 3.951,887 4.588,888 5.201,889 5.75,890 6.285,891 6.65,892 7.119,893 7.491,894 7.759,895 8.209,896 0.889,897 60,898 13.463,900 6.777,901 8.248,902 23.136,904 19.463,905 2.748,906 93.417,910 200.109,911 156.1,912 36.45,914 61.29,915 44.88,917 156.1,918 261.398,919 81.331,921 11.928,922 94.762,923 88.562,924 105.335,925 2.144,926 188.338,927 7.76,928 200.109,929 192.55,930 106.17,933 200.109,934 106.17,937 45.398,938 130.489,939 16.663,941 244.989,942 97.74,943 156.1,946 207.868,947 44.53,948 106.934,949 16.663,950 122.833,951 200.109,952 142.62,953 156.1,955 0.602,956 0.351,957 0.174,958 0.09,959 29,960 13,961 0.054,962 3,963 2,964 1.154,965 4.438,966 328.873,967 0.154,968 26,969 164.219,974 22.183,975 8.623,976 4.451,977 1.912,978 125.957,979 18.01,980 4.04,981 2.919,984 3.129,986 16.663,987 498.829,988 51,993 24.46,997 -2.294,999 53.778,1000 58.879,1001 0.307,1002 0.657,1003 0.793,1004 0.898,1005 0.937,1006 0.937,1007 5.218,1008 1.668,1009 6.138,1010 6.148,1011 4.727,1012 5.276,1013 3.368,1014 6.997,1015 4.652,1016 6.456,1017 1.534,1018 7.739,1019 4.577,1020 4.511,1021 5.173,1022 3.911,1023 8.116,1024 4.332,1025 7.789,1026 1.483,1027 9.447,1028 4.258,1029 6.418,1030 7.512,1031 5.547,1032 11.143,1033 6.26,1034 9.157,1035 1.199,1036 11.216,1037 3.928,1038 6.995,1039 8.208,1040 6.781,1041 13.036,1042 6.737,1043 10.555,1044 1.047,1045 13.025,1046 2.875,1047 8.414,1048 10.038,1049 8.186,1050 15.636,1051 8.155,1052 11.974,1053 1,1054 14.86,1055 2.388,1056 9.321,1057 11.097,1058 9.529,1059 17.83,1060 8.973,1061 13.408,1062 0.903,1063 16.714,1064 2.275,1065 10.568,1066 12.716,1067 10.898,1068 20.304,1069 10.195,1070 3.349,1071 0.638,1072 18.583,1073 2.242,1074 11.618,1075 13.957,1076 12.257,1077 22.631,1078 11.164,1079 3.075,1080 11.845,1081 20.464,1082 1.631,1083 12.806,1084 15.48,1085 13.62,1086 25.072,1087 12.307,1088 2.975,1089 9.931,1090 22.355,1091 4.392,1092 13.92,1093 16.818,1094 14.981,1095 27.462,1096 13.344,1097 2.822,1098 9.613,1099 24.254,1100 3.967,1101 15.09,1102 18.297,1103 16.343,1104 29.9,1105 14.457,1106 2.527,1107 9.078,1108 26.161,1109 3.92,1110 16.235,1111 19.687,1112 17.705,1113 32.322,1114 15.525,1115 2.385,1116 8.265,1117 28.075,1118 3.569,1119 17.403,1120 21.149,1121 19.067,1122 34.766,1123 16.627,1124 1.989,1125 7.298,1126 29.995,1127 3.309,1128 18.565,1129 22.568,1130 20.429,1131 37.207,1132 17.711,1133 16732,1134 31956,1135 25.255,1136 36.046,1137 59.383,1138 59.673,1139 59.308,1140 58.35,1141 58.031,1142 76.486,1143 14.562,1144 174.774,1145 55.783,1146 5.421,1147 6.572,1148 6.71,1149 5.313,1150 5.349,1151 7.392,1152 5.553,1153 19.306,1154 5.065,1155 17.825,1156 1.563,1157 1.57,1158 1.561,1159 1.536,1160 1.527,1161 2.013,1162 0.383,1163 4.599,1164 1.468,1165 4.126,1166 4.161,1167 4.087,1168 4.044,1169 8.516,1170 4.049,1171 3.982,1172 4.009,1173 3.941,1174 3.893,1175 7.999,1176 3.898,1177 3.899,1178 3.922,1179 3.854,1180 3.809,1181 7.999,1182 3.815,1183 3.619,1184 3.658,1185 3.602,1186 3.416,1187 7.428,1188 3.443,1189 3.492,1190 3.527,1191 3.436,1192 3.247,1193 7.418,1194 3.291,1195 3.296,1196 3.356,1197 3.231,1198 3.129,1199 5.099,1200 3.141,1201 3.201,1202 3.251,1203 3.083,1204 2.976,1205 4.835,1206 2.985,1207 3.001,1208 3.038,1209 2.899,1210 2.848,1211 4.664,1212 2.852,1213 0.118,1214 0.12,1215 0.189,1216 0.112,1217 0.088,1218 4.5,1219 0.116,1220 4.572,1221 0.103,1222 7.182,1223 0.312,1224 4.242,1225 0.081,1226 3.349,1227 4.392,1228 3.904,1229 11.845,1230 3.065,1231 2.012,1232 1.995,1233 2.089,1234 2.077,1235 1.259,1236 2.082,1237 1.928,1238 1.91,1239 2.017,1240 2.024,1241 1.145,1242 2.019,1243 1.8,1244 1.778,1245 1.898,1246 1.898,1247 1.071,1248 1.897,1249 1.566,1250 1.514,1251 1.783,1252 1.81,1253 1.024,1254 1.798,1255 1.317,1256 1.301,1257 1.466,1258 1.636,1259 0.641,1260 1.589,1261 1.309,1262 1.229,1263 1.437,1264 1.611,1265 0.407,1266 1.526,1267 1.18,1268 1.139,1269 1.329,1270 1.389,1271 0.361,1272 1.392,1273 0.985,1274 0.931,1275 1.183,1276 1.158,1277 0.29,1278 1.168,1279 4.344,1281 5.707,1282 2.398,1283 7.251,1284 4.727,1285 8.87,1286 6.804,1287 10.529,1291 37.929,1295 0.871,1297 5.823,1300 1.579,1301 -4.961,1305 36.1,1306 91.003,1307 194.885,1308 234.939,1309 266.158,1310 277.668,1311 277.668,1312 73.62,1313 8.553,1314 75.29,1315 75.29,1316 30,1317 12.847,1318 4.644,1319 3.807,1320 50.155,1321 161,1322 144,1323 0.15,1324 214.449,1325 381.56,1326 515.017,1327 71288,1328 5.8,1329 23.872,1330 0.702,1331 0.521,1332 21.372,1333 17.725,1334 16.292,1335 0.429,1336 0.276,1337 10.298,1338 15.507,1339 10.166,1340 8.302,1341 15.081,1342 10.496,1343 15.733,1344 0.281,1345 0.142,1346 13.822,1347 7.974,1348 13.309,1349 0.18,1350 0.078,1351 12.179,1352 5.753,1353 10.516,1354 0.113,1355 0.043,1356 9.976,1357 3.98,1358 8.382,1359 0.072,1360 0.023,1361 7.978,1362 2.728,1363 0.239,1364 103.593,1365 0.199,1366 31.601,1367 0.402,1368 188,1369 767.163,1370 218.401,1371 655.486,1372 861.82,1373 608,1374 224,1375 607.643,1376 250.327,1377 595.341,1378 894.25,1379 559,1380 6.863}
{0 CHEMBL2333376,1 1.511,2 12.29,3 3.669,4 13.461,5 118.843,6 7.913,7 0.629,8 4.067,9 4.169,10 3.696,11 3.668,12 5.21,13 3.656,14 4.589,15 4.733,16 4.066,17 4.068,18 5.704,19 4.044,20 4.849,21 5.007,22 4.179,23 4.235,24 5.982,25 4.19,26 4.939,27 5.123,28 4.047,29 4.21,30 6.058,31 4.133,32 4.894,33 5.114,34 3.946,35 4.137,36 5.944,37 4.039,38 4.789,39 5.018,40 3.901,41 4.05,42 5.762,43 3.96,44 4.718,45 4.917,46 3.919,47 3.972,48 5.889,49 3.915,50 4.645,51 4.839,52 3.792,53 3.914,54 5.722,55 3.845,56 0.05,57 0.724,58 9.164,59 4.646,60 7.846,61 5.607,62 0.197,63 1.193,64 17.763,65 7.71,66 18.372,67 9.478,68 0.281,69 1.482,70 24.445,71 10.5,72 40.408,73 12.808,74 0.381,75 1.59,76 28.782,77 11.524,78 63.916,79 14.021,80 0.407,81 1.513,82 29.283,83 11.646,84 63.321,85 15.259,86 0.195,87 1.38,88 26.213,89 10.681,90 35.212,91 14.397,92 0.407,93 1.277,94 23.921,95 9.178,96 62.307,97 11.678,98 0.355,99 1.198,100 21.848,101 8.463,102 44.295,103 10.493,104 11,105 50,106 0.247,107 0.588,108 0.74,109 0.838,110 0.874,111 0.874,112 3.472,113 0.873,114 -4.24,115 -4.18,116 -3.95,119 48.1,120 1,125 3,142 10,143 6,144 1,146 1,151 1,157 1,158 1,168 1,172 15,174 1,175 9,180 1,183 19,186 1,187 11,192 2,195 16,199 12,204 2,207 10,211 1,212 10,217 1,220 8,224 10,229 2,232 8,236 2,237 8,242 2,245 9,249 2,250 5,258 11,263 2,266 2,271 12,275 1627,276 21.17,277 21.17,278 21.17,279 21.17,280 21.17,281 18.438,282 14.831,283 12.249,284 21.404,285 17.259,286 17.259,287 17.259,288 17.259,289 17.259,290 13.018,291 17.497,292 5.784,293 17.611,294 4.189,295 2.112,296 1.182,297 0.582,298 0.361,299 0.361,300 4.183,304 1,305 1,306 849,307 3.24,310 73.032,311 249.168,312 89.009,314 123.887,316 141.306,318 1.996,319 29.822,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 66.5,331 381,332 4.477,333 3.708,334 6.435,335 4.059,336 3.077,337 4.392,338 1.277,339 9.934,340 3.026,341 4.327,342 3.541,343 6.321,344 3.972,345 2.984,346 3.965,347 1.23,348 9.617,349 2.952,350 4.245,351 3.194,352 6.153,353 3.829,354 2.842,355 3.85,356 0.86,357 9.083,358 2.802,359 4.011,360 2.969,361 5.924,362 3.694,363 2.684,364 3.375,365 0.521,366 8.283,367 2.702,368 3.853,369 2.602,370 5.898,371 3.487,372 2.505,373 3.291,375 8.114,376 2.455,377 3.343,378 2.379,379 5.204,380 3.037,381 2.07,382 2.514,384 6.227,385 1.992,386 3.035,387 2.207,388 4.519,389 2.603,390 1.668,391 2.302,393 4.578,394 1.55,395 3,396 2.073,397 4.395,398 2.515,399 1.534,400 2.218,402 4.26,403 1.503,404 2.917,405 1.668,406 4.261,407 2.488,408 1.489,409 2.042,411 3.932,412 1.486,413 2.766,414 1.535,415 3.932,416 2.374,417 1.348,418 1.773,420 3.17,421 1.371,422 2.551,423 1.513,424 3.601,425 2.068,426 1.091,427 1.572,428 2.533,429 1.057,430 2.5,431 1.23,432 3.438,433 2,434 1.023,435 1.5,436 2.366,437 1,438 2.424,439 1.045,440 3.414,441 1.999,442 1,443 1.329,445 2.275,446 0.993,447 2.121,448 1,449 3.36,450 1.718,451 0.704,452 0.95,454 1.762,455 0.704,456 1.903,457 0.456,458 3.044,459 1.401,460 0.421,461 0.62,463 1.035,464 0.412,465 14.7,466 0.474,467 0.763,468 0.025,469 43.25,470 1.395,471 23.5,472 0.758,473 19.75,474 0.637,475 23.655,476 0.763,477 31.5,478 0.606,479 33.942,480 1.095,481 8.738,482 0.282,483 6.342,484 0.205,485 0.079,487 0.367,493 0.653,494 1.061,495 0.704,496 0.955,497 0.538,498 0.857,499 0.896,500 0.99,501 0.83,502 0.889,503 0.608,504 0.848,505 1.077,506 1.079,507 0.997,508 1.061,509 0.959,510 1.027,511 1.338,512 1.114,513 1.234,514 1.132,515 1.388,516 1.165,517 0.865,518 0.967,519 0.995,520 1.005,521 1.056,522 1.021,523 0.671,524 1.015,525 0.817,526 1.009,527 0.577,528 0.95,529 1.036,530 0.989,531 0.941,532 0.957,533 0.697,534 0.937,535 1.217,536 0.92,537 1.126,538 0.992,539 1.129,540 1.035,541 6,542 0.164,543 4.222,544 1.944,545 1.574,546 1.028,547 0.652,548 0.446,549 0.338,550 0.239,551 13977,552 37670,553 2.16,554 40.4,556 16,557 1,559 1,560 3,564 1.736,565 2.044,566 3.601,567 -0.393,569 1,573 78.578,574 1.511,575 3.589,576 4.518,577 5.118,578 5.34,579 5.34,580 3.05,581 4.632,582 4.923,583 3.756,584 1746.7,585 8.597,586 24717.4,588 1,590 1,591 296.423,592 1.332,593 4.896,594 0.171,595 0.006,596 0.084,597 0.036,598 0.035,599 0.025,600 0.016,601 0.011,602 0.01,603 0.008,604 0.403,605 0.33,606 0.88,607 0.646,608 161.263,609 0.022,610 0.012,611 0.057,612 0.001,613 -0.033,614 0.026,615 -0.035,616 0.068,617 0.025,618 0.064,619 0.004,620 0.06,621 -0.07,622 -0.084,623 -0.089,624 -0.087,625 -0.041,626 -0.091,627 -0.21,628 -0.141,629 -0.266,630 -0.157,631 -0.176,632 -0.211,633 0.033,634 -0.022,635 0.005,636 -0.003,637 -0.034,638 -0.003,639 0.057,640 -0.07,641 0.175,643 0.07,644 0.089,645 0.077,646 -0.009,647 0.058,648 0.018,649 0.195,650 0.033,651 -0.096,652 0.074,653 -0.144,654 -0.024,655 -0.113,656 -0.08,657 1.741,658 6.089,659 0.839,660 32.4,661 1.005,662 1.113,663 3.011,664 9.068,665 0.697,666 3.584,667 3.932,668 4.234,669 4.477,670 4.718,671 4.89,672 5.05,673 5.165,674 5.283,675 5.468,676 7.201,677 0.672,678 411.49,679 3.584,680 5.142,681 6.009,682 6.891,683 7.769,684 8.654,685 9.536,686 10.422,687 11.306,688 12.193,689 5.8,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,716 1,719 1,729 1,731 52,733 24,734 3,735 35,737 56,738 25,739 19,740 8,741 10,742 2,746 5,747 7,752 1,761 21,762 4,766 2,771 2,775 2,778 1,781 21,782 5,783 1,784 6,790 3,794 0.6,795 3,803 1,811 1,812 3,813 1,815 1,817 1,840 3,844 1,848 31,854 3,856 1,859 1,870 5.8,873 2,875 1,877 15.167,878 9.817,879 6.667,880 3.107,881 4.182,882 1.501,883 1.032,884 5.047,885 12.534,886 3.892,887 4.525,888 5.15,889 5.721,890 6.259,891 6.624,892 7.077,893 7.43,894 7.741,895 8.198,896 1,897 54,898 11.482,900 5.004,901 7.763,902 21.888,904 18.365,905 2.263,906 70.167,908 1,909 1,910 235.422,911 157.165,912 36.45,914 61.29,917 157.165,918 296.712,919 36.45,920 8.825,921 11.928,922 103.81,923 76.791,924 53.551,925 11.771,926 223.651,928 235.422,929 193.616,930 61.29,933 235.422,934 61.29,937 39.56,938 137.392,939 16.663,941 235.422,942 97.74,943 157.165,946 235.422,947 44.53,948 115.759,949 16.663,950 77.953,951 235.422,952 97.74,953 157.165,955 0.591,956 0.352,957 0.181,958 0.095,959 26,960 11,961 0.054,962 3,963 2,964 1.154,965 4.262,966 291.201,967 0.154,968 26,969 149.58,974 19.53,975 8.011,976 3.848,977 1.976,978 81.077,979 20.909,980 4.27,981 2.885,984 5.03,986 16.663,987 490.328,988 48,993 24.588,997 -0.091,999 52.24,1000 57.86,1001 0.265,1002 0.63,1003 0.793,1004 0.898,1005 0.937,1006 0.937,1007 5.133,1008 1.534,1009 5.999,1010 4.578,1011 4.615,1012 5.212,1013 2.216,1014 6.817,1015 4.582,1016 6.351,1017 1.489,1018 7.566,1019 4.26,1020 4.205,1021 5.027,1022 0.325,1023 7.711,1024 4.178,1025 7.666,1026 1.348,1027 9.23,1028 3.932,1029 6.225,1030 7.444,1031 2.438,1032 10.789,1033 6.164,1034 9.016,1035 1.091,1036 10.949,1037 3.17,1038 6.635,1039 8.095,1040 0.74,1041 12.473,1042 6.58,1043 10.396,1044 1.023,1045 12.703,1046 2.533,1047 8.105,1048 9.966,1049 2.765,1050 15.042,1051 8.024,1052 11.798,1053 1,1054 14.479,1055 2.366,1056 8.879,1057 11.005,1058 1.168,1059 17.042,1060 8.798,1061 13.215,1062 0.704,1063 16.27,1064 2.275,1065 10.128,1066 12.645,1067 3.148,1068 19.426,1069 10.026,1070 3.077,1071 0.421,1072 18.071,1073 1.762,1074 11.07,1075 13.879,1076 1.605,1077 21.565,1078 10.961,1079 2.984,1080 9.934,1081 19.88,1082 1.035,1083 12.225,1084 15.413,1085 3.563,1086 23.876,1087 12.1,1088 2.842,1089 9.617,1090 21.694,1091 4.392,1092 13.246,1093 16.749,1094 2.049,1095 26.08,1096 13.11,1097 2.684,1098 9.083,1099 23.513,1100 3.965,1101 14.363,1102 18.236,1103 3.997,1104 28.363,1105 14.211,1106 2.505,1107 8.283,1108 25.335,1109 3.85,1110 15.422,1111 19.627,1112 2.494,1113 30.598,1114 15.256,1115 2.07,1116 8.114,1117 27.16,1118 3.375,1119 16.525,1120 21.094,1121 4.444,1122 32.871,1123 16.344,1124 1.668,1125 6.227,1126 28.987,1127 3.291,1128 17.603,1129 22.516,1130 2.938,1131 35.124,1132 17.407,1133 12898,1134 21288,1135 23.868,1136 36.233,1137 53.802,1138 54.721,1139 54.087,1140 52.917,1141 52.881,1142 71.386,1143 7.778,1144 154.334,1145 52.012,1146 5.396,1147 5.708,1148 5.963,1149 5.129,1150 5.077,1151 7.392,1152 2.555,1153 16.8,1154 5.026,1155 13.014,1156 1.537,1157 1.563,1158 1.545,1159 1.512,1160 1.511,1161 2.04,1162 0.222,1163 4.41,1164 1.486,1165 4.121,1166 4.155,1167 4.082,1168 4.04,1169 7.43,1170 4.045,1171 3.978,1172 4.005,1173 3.93,1174 3.893,1175 7.425,1176 3.896,1177 3.895,1178 3.919,1179 3.845,1180 3.809,1181 5.101,1182 3.815,1183 3.602,1184 3.65,1185 3.528,1186 3.42,1187 4.834,1188 3.438,1189 3.431,1190 3.47,1191 3.338,1192 3.255,1193 4.668,1194 3.266,1195 3.314,1196 3.382,1197 3.209,1198 3.142,1199 4.43,1200 3.15,1201 3.185,1202 3.242,1203 3.045,1204 2.977,1205 4.175,1206 2.977,1207 2.976,1208 3.017,1209 2.854,1210 2.814,1211 3.941,1212 2.818,1213 0.128,1214 0.106,1215 0.184,1216 0.116,1217 0.088,1218 4.477,1219 0.125,1220 3.708,1221 0.036,1222 6.435,1223 0.284,1224 4.059,1225 0.086,1226 3.077,1227 4.392,1228 1.277,1229 9.934,1230 3.026,1231 2.007,1232 1.99,1233 2.084,1234 2.069,1235 1.254,1236 2.075,1237 1.931,1238 1.912,1239 2.028,1240 2.021,1241 1.146,1242 2.023,1243 1.796,1244 1.776,1245 1.895,1246 1.881,1247 1.072,1248 1.887,1249 1.571,1250 1.518,1251 1.788,1252 1.808,1253 1.022,1254 1.802,1255 1.383,1256 1.336,1257 1.654,1258 1.696,1259 0.701,1260 1.648,1261 1.358,1262 1.28,1263 1.523,1264 1.598,1265 0.644,1266 1.614,1267 1.165,1268 1.108,1269 1.414,1270 1.384,1271 0.453,1272 1.394,1273 0.952,1274 0.906,1275 1.181,1276 1.147,1277 0.218,1278 1.142,1279 4.263,1281 5.602,1282 2.398,1283 7.128,1284 4.727,1285 8.736,1286 6.804,1287 10.385,1289 1.515,1295 1.389,1297 5.908,1300 1.787,1305 34.95,1306 78.578,1307 186.621,1308 234.939,1309 266.158,1310 277.668,1311 277.668,1312 50.935,1313 8.352,1314 75.29,1315 75.29,1316 30,1317 12.725,1318 4.644,1319 3.807,1320 43.703,1321 133,1322 137,1323 0.158,1324 210.855,1325 363.35,1326 506.246,1327 55055,1329 21.372,1330 0.689,1331 0.551,1332 21.372,1333 17.091,1334 15.081,1335 0.431,1336 0.291,1337 10.061,1338 14.574,1339 9.813,1340 8.088,1341 15.081,1342 10.183,1343 13.822,1344 0.276,1345 0.154,1346 13.822,1347 7.69,1348 12.179,1349 0.179,1350 0.083,1351 12.179,1352 5.635,1353 9.976,1354 0.115,1355 0.045,1356 9.976,1357 3.891,1358 7.978,1359 0.072,1360 0.024,1361 7.978,1362 2.668,1363 0.25,1364 94.075,1365 0.205,1366 29.179,1367 0.429,1368 170,1369 490.83,1370 183.384,1371 475.302,1372 654.54,1373 446,1374 203,1375 484.714,1376 217.274,1377 491.945,1378 720.05,1379 464,1380 5.745}
{0 CHEMBL2333377,1 1.495,2 12.406,3 3.738,4 13.97,5 123.99,6 7.737,7 0.611,8 4.115,9 4.22,10 3.729,11 3.707,12 5.239,13 3.69,14 4.648,15 4.805,16 4.105,17 4.104,18 5.736,19 4.08,20 4.898,21 5.056,22 4.229,23 4.291,24 6.025,25 4.246,26 5.011,27 5.197,28 4.094,29 4.287,30 6.11,31 4.2,32 4.968,33 5.194,34 3.992,35 4.206,36 5.988,37 4.1,38 4.865,39 5.095,40 3.951,41 4.126,42 5.816,43 4.029,44 4.806,45 5.012,46 3.968,47 4.057,48 5.945,49 3.988,50 4.739,51 4.943,52 3.845,53 4,54 5.768,55 3.919,56 0.033,57 0.766,58 10.116,59 5.014,60 6.985,61 6.203,62 0.212,63 1.281,64 19.971,65 8.13,66 18.698,67 10.302,68 0.282,69 1.577,70 26.219,71 10.902,72 40.246,73 13.51,74 0.352,75 1.711,76 31.349,77 12.578,78 63.493,79 15.704,80 0.396,81 1.624,82 31.998,83 12.664,84 62.958,85 16.889,86 0.177,87 1.485,88 28.427,89 11.602,90 33.778,91 15.786,92 0.397,93 1.392,94 26.597,95 10.206,96 64.291,97 13.305,98 0.351,99 1.31,100 24.682,101 9.514,102 42.629,103 12.19,104 18,105 52,106 0.242,107 0.571,108 0.742,109 0.834,110 0.868,111 0.868,112 3.502,113 0.881,114 -4.45,115 -4.37,116 -4.12,119 47.3,120 1,124 1,125 3,142 10,143 6,144 1,145 1,152 1,157 1,158 1,166 1,172 15,174 1,175 10,183 19,186 1,187 13,195 16,199 14,207 10,211 1,212 11,220 8,224 12,232 8,236 2,237 10,245 9,249 2,250 5,258 11,262 2,263 2,271 12,275 1780,276 21.67,277 21.67,278 21.67,279 21.67,280 21.67,281 18.893,282 17.994,283 12.424,284 21.922,285 17.726,286 17.726,287 17.726,288 17.726,289 17.726,290 13.41,291 19.997,292 5.857,293 18.123,294 4.287,295 2.26,296 1.204,297 0.637,298 0.427,299 0.427,300 4.211,304 1,305 1,306 880,307 3.317,310 75.28,311 258.126,312 92.842,314 128.151,316 146.843,318 2.057,319 29.649,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 68.5,331 397,332 4.561,333 3.708,334 6.525,335 4.098,336 3.118,337 4.511,338 1.277,339 10.25,340 3.058,341 4.344,342 3.541,343 6.429,344 4.006,345 3.031,346 3.979,347 1.23,348 9.873,349 2.967,350 4.257,351 3.201,352 6.233,353 3.869,354 2.879,355 3.85,356 0.86,357 9.31,358 2.843,359 4.015,360 3.094,361 5.96,362 3.702,363 2.693,364 3.384,365 0.521,366 8.415,367 2.713,368 3.878,369 2.669,370 5.906,371 3.521,372 2.54,373 3.312,375 8.122,376 2.485,377 3.348,378 2.379,379 5.204,380 3.039,381 2.072,382 2.661,384 6.227,385 1.994,386 3.31,387 2.207,388 4.952,389 2.858,390 1.887,391 2.513,393 5.417,394 1.828,395 3.001,396 2.086,397 4.51,398 2.601,399 1.664,400 2.222,402 4.569,403 1.549,404 2.917,405 1.947,406 4.335,407 2.489,408 1.491,409 2.042,411 4.088,412 1.486,413 2.768,414 1.668,415 4.016,416 2.376,417 1.35,418 1.78,420 3.204,421 1.372,422 2.66,423 1.513,424 3.931,425 2.166,426 1.187,427 1.727,428 3.134,429 1.159,430 2.5,431 1.249,432 3.601,433 2.047,434 1.059,435 1.5,436 2.518,437 1.036,438 2.428,439 1.18,440 3.414,441 2,442 1,443 1.335,445 2.275,446 1,447 2.156,448 1,449 3.363,450 1.726,451 0.718,452 0.992,454 1.773,455 0.714,456 2.081,457 0.71,458 3.226,459 1.617,460 0.651,461 0.906,463 1.557,464 0.627,465 15.2,466 0.475,467 0.853,468 0.027,469 44,470 1.375,471 23.5,472 0.734,473 20.5,474 0.641,475 25.424,476 0.794,477 32.8,478 0.596,479 35.519,480 1.11,481 8.874,482 0.277,483 6.617,484 0.207,485 0.11,487 0.382,493 0.635,494 1.16,495 0.715,496 1.018,497 0.54,498 0.904,499 0.944,500 0.963,501 0.809,502 0.826,503 0.598,504 0.789,505 1.134,506 1.059,507 1.017,508 1.032,509 0.975,510 1.009,511 1.301,512 1.148,513 1.245,514 1.173,515 1.366,516 1.201,517 0.839,518 0.963,519 0.976,520 0.998,521 1.029,522 1.009,523 0.654,524 1.027,525 0.832,526 1.025,527 0.553,528 0.968,529 0.99,530 0.996,531 0.94,532 0.972,533 0.68,534 0.952,535 1.152,536 0.917,537 1.09,538 0.986,539 1.079,540 1.021,541 6.5,542 0.201,543 4.667,544 2.292,545 1.614,546 1.201,547 0.693,548 0.493,549 0.383,550 0.27,551 15018,552 39476,553 2.135,554 41.8,556 19,558 1,560 3,564 1.744,565 2,566 3.608,567 -0.805,569 1,573 82.212,574 1.495,575 3.521,576 4.577,577 5.145,578 5.354,579 5.354,580 3.043,581 4.75,582 4.97,583 3.782,584 1875.96,585 8.69,586 27200.1,588 1,591 317.975,592 1.406,593 4.933,594 0.181,595 0.006,596 0.09,597 0.04,598 0.034,599 0.028,600 0.017,601 0.012,602 0.01,603 0.008,604 0.426,605 0.33,606 0.88,607 0.688,608 168.179,609 0.045,610 -0.075,611 0.069,612 -0.043,613 -0.034,614 0.001,615 -0.04,616 0.122,617 0.077,618 0.127,619 0.017,620 0.125,621 -0.094,622 -0.032,623 -0.107,624 -0.062,625 -0.048,626 -0.081,627 -0.198,628 -0.17,629 -0.285,630 -0.194,631 -0.172,632 -0.245,633 0.041,634 -0.016,635 0.016,636 0.003,637 -0.027,638 0.006,639 0.057,640 -0.078,641 0.144,642 -0.018,643 0.073,644 0.061,645 0.087,646 -0.017,647 0.053,648 0.007,649 0.191,650 0.023,651 -0.071,652 0.073,653 -0.106,654 -0.011,655 -0.103,656 -0.055,657 1.738,658 6.128,659 0.813,660 33.867,661 1.002,662 1.114,663 3.216,664 10.341,665 0.691,666 3.611,667 3.97,668 4.277,669 4.522,670 4.771,671 4.934,672 5.094,673 5.22,674 5.352,675 5.525,676 7.349,677 0.663,678 425.52,679 3.611,680 5.176,681 6.047,682 6.934,683 7.818,684 8.707,685 9.595,686 10.486,687 11.375,688 12.267,689 5.5,696 1,697 1,699 1,703 2,704 11,705 1,709 6,710 1,711 22,716 1,719 1,729 1,731 55,733 24,734 3,735 36,737 59,738 26,739 19,740 8,741 10,742 2,746 5,747 7,752 1,761 21,762 5,766 2,771 2,775 2,778 1,781 23,782 5,784 6,790 3,794 0.6,795 3,803 1,811 1,812 3,813 1,815 1,817 1,840 3,844 2,848 32,854 3,856 1,859 1,870 5.5,873 2,875 1,877 16,878 10.767,879 6.861,880 3.28,881 4.203,882 1.497,883 1.02,884 5.279,885 12.662,886 3.912,887 4.557,888 5.188,889 5.764,890 6.313,891 6.676,892 7.134,893 7.502,894 7.842,895 8.272,896 1,897 57,898 11.858,900 5.143,901 7.74,902 22.67,904 18.97,905 2.24,906 71.667,909 1,910 270.735,911 165.562,912 21.564,914 61.29,917 165.562,918 332.025,919 21.564,920 17.222,921 11.928,922 94.762,923 88.562,924 45.568,925 2.144,926 258.964,928 270.735,929 187.126,930 61.29,933 270.735,934 61.29,937 31.577,938 138.885,939 16.663,941 270.735,942 82.854,943 165.562,946 270.735,947 44.53,948 125.932,950 77.953,951 270.735,952 82.854,953 165.562,955 0.595,956 0.355,957 0.182,958 0.097,959 27,960 12,961 0.051,962 3,963 2,964 1.154,965 4.3,966 305.156,967 0.154,968 26,969 156,974 20.473,975 8.251,976 3.954,977 2.168,978 81.077,979 21.089,980 4.32,984 5.093,985 1.864,987 519.151,988 49,993 24.647,997 -0.087,999 55.123,1000 61.275,1001 0.259,1002 0.609,1003 0.792,1004 0.89,1005 0.926,1006 0.926,1007 5.162,1008 1.664,1009 6.047,1010 5.417,1011 4.654,1012 5.244,1013 2.216,1014 6.878,1015 4.616,1016 6.389,1017 1.491,1018 7.625,1019 4.569,1020 4.29,1021 5.112,1022 0.325,1023 7.803,1024 4.25,1025 7.711,1026 1.35,1027 9.299,1028 4.088,1029 6.279,1030 7.493,1031 2.438,1032 10.886,1033 6.207,1034 9.069,1035 1.187,1036 11.028,1037 3.204,1038 6.723,1039 8.189,1040 0.74,1041 12.602,1042 6.648,1043 10.457,1044 1.059,1045 12.791,1046 3.134,1047 8.179,1048 10.043,1049 2.765,1050 15.185,1051 8.08,1052 11.866,1053 1,1054 14.577,1055 2.518,1056 8.981,1057 11.124,1058 1.168,1059 17.222,1060 8.872,1061 13.292,1062 0.718,1063 16.377,1064 2.275,1065 10.227,1066 12.761,1067 3.148,1068 19.625,1069 10.097,1070 3.118,1071 0.651,1072 18.189,1073 1.773,1074 11.193,1075 14.036,1076 1.605,1077 21.801,1078 11.047,1079 3.031,1080 10.25,1081 20.009,1082 1.557,1083 12.352,1084 15.579,1085 3.563,1086 24.136,1087 12.188,1088 2.879,1089 9.873,1090 21.835,1091 4.511,1092 13.393,1093 16.953,1094 2.049,1095 26.375,1096 13.211,1097 2.693,1098 9.31,1099 23.666,1100 3.979,1101 14.519,1102 18.457,1103 3.997,1104 28.685,1105 14.318,1106 2.54,1107 8.415,1108 25.5,1109 3.85,1110 15.595,1111 19.884,1112 2.494,1113 30.955,1114 15.374,1115 2.072,1116 8.122,1117 27.338,1118 3.384,1119 16.709,1120 21.374,1121 4.444,1122 33.256,1123 16.469,1124 1.887,1125 6.227,1126 29.179,1127 3.312,1128 17.804,1129 22.831,1130 2.938,1131 35.542,1132 17.542,1133 13941,1134 22720,1135 24.274,1136 37.995,1137 55.613,1138 56.715,1139 56.543,1140 54.729,1141 54.679,1142 73.428,1143 7.778,1144 161.462,1145 53.661,1146 5.481,1147 5.708,1148 6.053,1149 5.168,1150 5.118,1151 7.511,1152 2.555,1153 17.116,1154 5.058,1155 15.385,1156 1.545,1157 1.575,1158 1.571,1159 1.52,1160 1.519,1161 2.04,1162 0.216,1163 4.485,1164 1.491,1165 4.138,1166 4.174,1167 4.102,1168 4.051,1169 7.43,1170 4.058,1171 3.981,1172 4.008,1173 3.933,1174 3.894,1175 7.425,1176 3.898,1177 3.899,1178 3.922,1179 3.849,1180 3.815,1181 5.046,1182 3.821,1183 3.605,1184 3.654,1185 3.531,1186 3.423,1187 4.829,1188 3.441,1189 3.438,1190 3.479,1191 3.35,1192 3.262,1193 4.668,1194 3.275,1195 3.355,1196 3.424,1197 3.232,1198 3.175,1199 4.43,1200 3.18,1201 3.186,1202 3.242,1203 3.05,1204 2.978,1205 4.18,1206 2.977,1207 3.072,1208 3.138,1209 2.93,1210 2.938,1211 3.941,1212 2.93,1213 0.127,1214 0.103,1215 0.181,1216 0.114,1217 0.087,1218 4.561,1219 0.125,1220 3.708,1221 0.035,1222 6.525,1223 0.285,1224 4.098,1225 0.085,1226 3.118,1227 4.511,1228 1.277,1229 10.25,1230 3.058,1231 2.014,1232 1.996,1233 2.091,1234 2.082,1235 1.264,1236 2.086,1237 1.931,1238 1.912,1239 2.028,1240 2.024,1241 1.152,1242 2.024,1243 1.806,1244 1.784,1245 1.906,1246 1.907,1247 1.083,1248 1.906,1249 1.571,1250 1.518,1251 1.788,1252 1.809,1253 1.03,1254 1.803,1255 1.449,1256 1.359,1257 1.683,1258 1.74,1259 0.719,1260 1.723,1261 1.382,1262 1.335,1263 1.654,1264 1.598,1265 0.698,1266 1.614,1267 1.209,1268 1.167,1269 1.437,1270 1.4,1271 0.635,1272 1.412,1273 1.042,1274 0.981,1275 1.288,1276 1.232,1277 0.36,1278 1.258,1279 4.29,1281 5.638,1282 2.398,1283 7.172,1284 4.844,1285 8.786,1286 6.986,1287 10.442,1289 3.451,1295 1.396,1297 5.93,1300 1.794,1305 36.477,1306 82.212,1307 193.682,1308 251.736,1309 282.955,1310 294.465,1311 294.465,1312 53.31,1313 8.459,1314 64.43,1315 64.43,1316 30,1317 12.795,1318 4.644,1319 3.807,1320 45.788,1321 140,1322 146,1323 0.157,1324 220.447,1325 380.65,1326 529.651,1327 62477,1329 22.242,1330 0.695,1331 0.564,1332 22.242,1333 18.039,1334 15.491,1335 0.43,1336 0.294,1337 10.442,1338 14.949,1339 10.129,1340 8.372,1341 15.491,1342 10.576,1343 14.35,1344 0.276,1345 0.155,1346 14.35,1347 8.073,1348 12.661,1349 0.178,1350 0.084,1351 12.661,1352 5.948,1353 10.285,1354 0.113,1355 0.045,1356 10.285,1357 4.101,1358 8.369,1359 0.072,1360 0.024,1361 8.369,1362 2.843,1363 0.249,1364 96.699,1365 0.203,1366 29.92,1367 0.427,1368 176,1369 502.142,1370 190.078,1371 485.681,1372 670.52,1373 456,1374 211,1375 499.006,1376 226.301,1377 506.873,1378 741.93,1379 477,1380 5.611}
{0 CHEMBL2333378,1 1.817,2 11.767,3 3.42,4 11.698,5 103.775,6 9.03,7 0.515,8 3.971,9 4.065,10 3.68,11 3.504,12 5.226,13 3.536,14 4.52,15 4.651,16 4.124,17 3.889,18 6.18,19 3.919,20 4.74,21 4.885,22 4.187,23 4.056,24 6.265,25 4.053,26 4.828,27 4.999,28 4.08,29 4.04,30 6.137,31 4.019,32 4.827,33 5.027,34 4.011,35 3.967,36 6.159,37 3.944,38 4.701,39 4.926,40 3.833,41 3.842,42 5.866,43 3.797,44 4.568,45 4.773,46 3.833,47 3.729,48 5.858,49 3.71,50 4.451,51 4.618,52 3.826,53 3.656,54 6.077,55 3.642,56 0.244,57 0.885,58 5.873,59 4.227,60 36.644,61 4.178,62 1.013,63 1.747,64 14.094,65 6.897,66 153.522,67 6.833,68 1.004,69 1.529,70 18.632,71 9.24,72 155.069,73 10.138,74 0.952,75 1.622,76 22.799,77 10.114,78 121.256,79 11.026,80 1.144,81 1.694,82 25.686,83 9.989,84 153.948,85 10.992,86 0.896,87 1.398,88 24.353,89 9.262,90 127.878,91 11.251,92 0.868,93 1.131,94 20.454,95 7.497,96 105.962,97 9.179,98 0.957,99 1.134,100 15.661,101 6.573,102 141.161,103 7.652,104 28,105 48,106 0.308,107 0.648,108 0.782,109 0.84,110 0.868,111 0.868,112 3.44,113 0.826,114 -3.86,115 -3.82,116 -3.62,119 45.7,125 3,132 1,142 7,143 5,144 1,145 1,151 1,157 1,158 1,168 1,172 11,174 1,175 7,180 1,183 12,186 1,187 10,192 1,195 7,199 12,204 2,207 1,211 1,212 10,217 2,220 3,224 4,232 6,236 4,237 4,240 2,245 9,250 1,258 9,262 1,263 2,266 1,268 1,271 6,275 1498,276 19.833,277 19.833,278 19.833,279 19.833,280 19.833,281 17.707,282 16.125,283 11.394,284 20.333,285 16.249,286 16.249,287 16.249,288 16.249,289 16.249,290 12.892,291 18.426,292 5.379,293 17.086,294 3.707,295 1.705,296 0.913,297 0.573,298 0.408,299 0.408,300 4.132,304 1,305 1,306 762,307 3.937,310 81.108,311 178.406,312 91.102,316 147.622,318 1.967,319 54.644,322 1,323 1,324 1,325 0.4,326 0.5,327 1,328 1,329 0.84,330 69,331 353,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.037,338 3.904,339 11.845,340 3.064,341 4.374,342 3.707,343 6.431,344 4.03,345 3.057,346 3.924,347 1.23,348 9.902,349 2.972,350 4.218,351 3.192,352 6.26,353 3.894,354 2.905,355 3.584,356 0.86,357 9.402,358 2.857,359 3.995,360 3.13,361 5.985,362 3.618,363 2.645,364 3.513,365 0.766,366 8.515,367 2.566,368 3.685,369 2.775,370 5.576,371 3.332,372 2.393,373 2.934,374 0.521,375 7.298,376 2.191,377 3.273,378 2.372,379 5.184,380 2.949,381 1.996,382 2.568,384 6.149,385 1.873,386 3.192,387 2.201,388 4.542,389 2.749,390 1.798,391 2.346,393 4.71,394 1.707,395 2.898,396 2.104,397 4.354,398 2.565,399 1.609,400 2.018,402 4.189,403 1.528,404 2.576,405 1.755,406 3.947,407 2.203,408 1.211,409 1.506,411 2.885,412 1.181,413 2.5,414 1.666,415 3.665,416 2,417 1,418 1.5,420 2.302,421 1,422 2.404,423 1.246,424 3.414,425 1.94,426 0.952,427 1.32,428 2.275,429 0.926,430 2.319,431 1,432 3.387,433 1.828,434 0.836,435 1.145,436 2.032,437 0.819,438 2.118,439 0.892,440 3.279,441 1.657,442 0.628,443 0.927,445 1.607,446 0.634,447 2.09,448 0.618,449 3,450 1.547,451 0.618,452 0.886,454 1.372,455 0.572,456 1.17,457 0.51,458 2.705,459 0.877,460 -0.082,461 -0.096,463 -0.205,464 -0.078,465 13.557,466 0.452,467 0.932,468 0.031,469 39,470 1.3,471 19.5,472 0.65,473 19.5,474 0.65,475 23.027,476 0.768,477 32.643,478 0.71,479 34.065,480 1.136,481 8.178,482 0.273,483 6.148,484 0.205,485 0.112,486 0.037,487 0.325,490 3,493 0.589,494 0.927,495 0.586,496 1.01,497 0.562,498 0.87,499 0.594,500 0.713,501 0.733,502 0.881,503 0.445,504 0.869,505 0.548,506 0.779,507 0.807,508 1.066,509 0.415,510 1.075,511 0.841,512 0.872,513 1.027,514 1.132,515 0.787,516 1.177,517 0.968,518 0.939,519 1.106,520 1.029,521 0.983,522 1.097,523 0.781,524 0.844,525 0.942,526 1.022,527 0.73,528 1.047,529 0.592,530 0.554,531 0.788,532 0.805,533 0.463,534 0.871,535 0.502,536 0.721,537 0.865,538 1.06,539 0.503,540 1.138,541 7,542 0.176,543 4.444,544 2.09,545 1.616,546 0.955,547 0.704,548 0.484,549 0.336,550 0.232,551 12069,552 46596,553 2.059,554 34.8,556 13,557 1,558 1,559 1,564 1.727,565 1.905,566 3.533,567 -0.283,569 1,573 83.581,574 1.817,575 3.818,576 4.61,577 4.95,578 5.116,579 5.116,580 2.949,581 4.415,582 4.877,583 3.726,584 1620.86,585 8.5,586 22558.5,588 1,590 1,591 254.084,592 1.615,593 4.82,594 0.212,595 0.007,596 0.093,597 0.041,598 0.036,599 0.023,600 0.02,601 0.014,602 0.01,603 0.009,604 0.465,605 0.5,606 1,607 0.922,608 154.667,609 -0.024,610 -0.026,611 0.027,612 -0.021,613 -0.063,614 0.012,615 0.235,616 0.291,617 0.048,618 0.092,619 0.3,620 0.021,621 0.158,622 -0.006,623 0.018,624 -0.085,625 0.235,626 -0.099,627 -0.107,628 -0.162,629 -0.121,630 -0.162,631 -0.053,632 -0.162,633 -0.107,634 -0.072,635 -0.112,636 -0.053,637 -0.096,638 -0.069,639 -0.037,640 -0.053,641 0.085,642 -0.032,643 -0.032,644 0.055,645 0.108,646 0.075,647 0.195,648 0.13,649 0.106,650 0.176,651 0.31,652 0.088,653 0.052,654 -0.096,655 0.292,656 -0.151,657 6.204,658 5.902,659 0.733,660 31.32,661 1.041,662 1.141,663 2.629,664 6.913,665 0.68,666 3.526,667 3.892,668 4.143,669 4.344,670 4.533,671 4.7,672 4.868,673 4.977,674 5.03,675 5.136,676 7.111,677 0.686,678 415.4,679 3.526,680 5.094,681 5.948,682 6.834,683 7.702,684 8.588,685 9.461,686 10.347,687 11.223,688 12.109,689 6.5,696 1,697 1,699 1,704 9,705 1,706 1,709 6,711 17,716 1,719 1,729 1,731 46,733 19,734 2,735 33,737 49,738 21,739 15,740 5,741 7,742 2,746 4,747 5,752 1,757 1,761 17,762 4,766 2,771 2,775 2,778 1,779 3,781 16,782 8,783 1,784 9,790 3,794 0.75,795 3,803 1,811 1,812 2,813 1,817 1,840 3,846 3,848 30,854 3,856 1,859 1,860 1,869 3,870 6.5,873 2,875 1,877 15.75,878 8.329,879 6.389,880 2.62,881 2.964,882 1.379,883 1.006,884 5.357,885 10.785,886 3.795,887 4.385,888 4.948,889 5.437,890 5.884,891 6.206,892 6.597,893 6.819,894 7.025,895 7.287,896 0.875,897 51,898 11.962,900 6.059,901 8.369,902 20.173,904 16.677,905 2.869,906 86.083,909 1,910 176.567,911 132.001,912 36.45,914 61.29,915 44.88,917 132.001,918 237.856,919 81.331,921 11.928,922 75.381,923 88.562,924 102.762,925 11.771,926 153.024,927 7.76,928 176.567,929 168.452,930 106.17,933 176.567,934 106.17,937 45.398,938 106.391,939 16.663,941 221.447,942 97.74,943 132.001,946 184.326,947 39.813,948 87.553,949 16.663,950 122.833,951 176.567,952 142.62,953 132.001,955 0.598,956 0.346,957 0.169,958 0.084,959 24,960 11,961 0.061,962 3,963 1,964 1.091,965 4.07,966 270.736,967 0.091,968 22,969 138.452,974 20.18,975 7.963,976 4.27,978 125.957,979 13.589,980 3.931,981 2.751,984 2.976,986 16.663,987 451.188,988 43.5,993 24.22,997 -2.295,999 47.894,1000 52.464,1001 0.329,1002 0.691,1003 0.835,1004 0.896,1005 0.926,1006 0.926,1007 5.058,1008 1.609,1009 5.979,1010 4.71,1011 4.575,1012 5.072,1013 3.368,1014 6.832,1015 4.489,1016 6.283,1017 1.211,1018 7.579,1019 4.189,1020 4.369,1021 4.913,1022 3.911,1023 7.978,1024 4.17,1025 7.607,1026 1,1027 9.289,1028 2.885,1029 6.263,1030 7.233,1031 5.547,1032 10.995,1033 6.083,1034 8.966,1035 0.952,1036 11.064,1037 2.302,1038 6.858,1039 7.865,1040 6.781,1041 12.914,1042 6.569,1043 10.356,1044 0.836,1045 12.879,1046 2.275,1047 8.266,1048 9.666,1049 8.186,1050 15.516,1051 7.971,1052 11.767,1053 0.628,1054 14.722,1055 2.032,1056 9.187,1057 10.649,1058 9.529,1059 17.731,1060 8.796,1061 13.192,1062 0.618,1063 16.584,1064 1.607,1065 10.431,1066 12.232,1067 10.898,1068 20.213,1069 10.008,1070 3.349,1071 -0.082,1072 18.461,1073 1.372,1074 11.492,1075 13.39,1076 12.257,1077 22.555,1078 10.981,1079 3.057,1080 11.845,1081 20.351,1082 -0.205,1083 12.681,1084 14.871,1085 13.62,1086 25.005,1087 12.119,1088 2.905,1089 9.902,1090 22.25,1091 4.037,1092 13.804,1093 16.121,1094 14.981,1095 27.406,1096 13.157,1097 2.645,1098 9.402,1099 24.158,1100 3.924,1101 14.978,1102 17.551,1103 16.343,1104 29.852,1105 14.266,1106 2.393,1107 8.515,1108 26.073,1109 3.584,1110 16.13,1111 18.853,1112 17.705,1113 32.282,1114 15.335,1115 1.996,1116 7.298,1117 27.994,1118 3.513,1119 17.304,1120 20.257,1121 19.067,1122 34.733,1123 16.435,1124 1.798,1125 6.149,1126 29.921,1127 2.934,1128 18.472,1129 21.589,1130 20.429,1131 37.179,1132 17.518,1133 11532,1134 22900,1135 21.671,1136 31.284,1137 51.373,1138 51.303,1139 50.958,1140 50.295,1141 49.997,1142 64.417,1143 14.562,1144 148.969,1145 47.78,1146 5.421,1147 6.572,1148 6.779,1149 5.315,1150 5.349,1151 7.037,1152 5.553,1153 19.306,1154 5.064,1155 16.24,1156 1.557,1157 1.555,1158 1.544,1159 1.524,1160 1.515,1161 1.952,1162 0.441,1163 4.514,1164 1.448,1165 4.046,1166 4.078,1167 4,1168 3.954,1169 8.516,1170 3.96,1171 3.947,1172 3.972,1173 3.909,1174 3.873,1175 7.999,1176 3.876,1177 3.788,1178 3.842,1179 3.73,1180 3.594,1181 7.999,1182 3.619,1183 3.586,1184 3.619,1185 3.582,1186 3.37,1187 7.428,1188 3.404,1189 3.463,1190 3.51,1191 3.387,1192 3.224,1193 7.418,1194 3.259,1195 3.204,1196 3.251,1197 3.102,1198 2.976,1199 5.043,1200 2.985,1201 3.001,1202 3.036,1203 2.9,1204 2.798,1205 4.802,1206 2.832,1207 2.854,1208 2.925,1209 2.729,1210 2.735,1211 4.663,1212 2.715,1213 0.136,1214 0.139,1215 0.218,1216 0.129,1217 0.101,1218 4.5,1219 0.122,1220 4.572,1221 0.118,1222 7.182,1223 0.359,1224 4.242,1225 0.093,1226 3.349,1227 4.037,1228 3.904,1229 11.845,1230 3.064,1231 1.944,1232 1.925,1233 2.031,1234 2.037,1235 1.213,1236 2.034,1237 1.914,1238 1.897,1239 2.002,1240 1.993,1241 1.121,1242 1.995,1243 1.57,1244 1.516,1245 1.784,1246 1.812,1247 1.041,1248 1.8,1249 1.429,1250 1.396,1251 1.578,1252 1.673,1253 0.754,1254 1.63,1255 1.311,1256 1.296,1257 1.429,1258 1.615,1259 0.511,1260 1.542,1261 1.24,1262 1.134,1263 1.368,1264 1.532,1265 0.36,1266 1.504,1267 1.091,1268 1.029,1269 1.322,1270 1.308,1271 0.246,1272 1.321,1273 0.891,1274 0.867,1275 1.181,1276 1.148,1277 0.218,1278 1.117,1279 4.205,1281 5.557,1282 2.398,1283 7.086,1284 4.595,1285 8.691,1286 6.581,1287 10.335,1291 37.682,1295 0.884,1297 5.738,1300 1.561,1301 -4.954,1305 31.573,1306 83.581,1307 175.638,1308 212.068,1309 227.719,1310 235.329,1311 235.329,1312 69.78,1313 7.821,1314 75.29,1315 75.29,1316 24,1317 12.642,1318 4.322,1319 3.524,1320 47.159,1321 127,1322 112,1323 0.179,1324 189.328,1325 340.9,1326 453.721,1327 27806,1328 6.5,1329 21.303,1330 0.71,1331 0.519,1332 18.803,1333 15.571,1334 14.326,1335 0.434,1336 0.275,1337 8.886,1338 13.532,1339 8.79,1340 7.177,1341 13.114,1342 9.085,1343 13.753,1344 0.287,1345 0.141,1346 11.843,1347 6.789,1348 11.379,1349 0.184,1350 0.078,1351 10.249,1352 4.811,1353 8.778,1354 0.115,1355 0.043,1356 8.238,1357 3.266,1358 6.676,1359 0.073,1360 0.023,1361 6.272,1362 2.158,1363 0.284,1364 91.841,1365 0.215,1366 28.393,1367 0.486,1368 162,1369 717.163,1370 192.068,1371 602.925,1372 782.46,1373 558,1374 191,1375 542.362,1376 216.828,1377 527.15,1378 791.37,1379 494,1380 5.98}
{0 CHEMBL2333379,1 1.75,2 13.206,3 4.492,4 20.175,5 118.999,6 8.951,7 0.579,8 4.093,9 4.184,10 3.801,11 3.66,12 5.324,13 3.683,14 4.642,15 4.769,16 4.256,17 4.059,18 6.252,19 4.079,20 4.878,21 5.024,22 4.328,23 4.229,24 6.356,25 4.219,26 4.959,27 5.133,28 4.19,29 4.21,30 6.227,31 4.172,32 4.937,33 5.139,34 4.119,35 4.131,36 6.223,37 4.09,38 4.825,39 5.041,40 4.002,41 4.044,42 5.976,43 3.993,44 4.732,45 4.925,46 4.005,47 3.968,48 5.964,49 3.938,50 4.681,51 4.859,52 4.017,53 3.91,54 6.199,55 3.881,56 0.207,57 0.954,58 6.686,59 4.695,60 32.609,61 4.716,62 0.995,63 1.918,64 15.556,65 7.923,66 149.739,67 7.93,68 0.981,69 1.759,70 21.305,71 10.56,72 151.463,73 11.652,74 0.897,75 1.844,76 25.739,77 11.713,78 108.798,79 12.769,80 1.061,81 1.894,82 28.906,83 11.93,84 144.865,85 13.445,86 0.816,87 1.638,88 26.384,89 10.833,90 117.694,91 12.979,92 0.767,93 1.386,94 22.456,95 9.219,96 98.81,97 11.052,98 1.066,99 1.412,100 20.379,101 8.518,102 145.926,103 10,104 28,105 56,106 0.286,107 0.614,108 0.74,109 0.838,110 0.874,111 0.874,112 3.561,113 0.829,114 -4.55,115 -4.47,116 -4.21,119 48.1,125 3,132 1,142 10,143 5,144 1,146 1,152 1,157 1,158 1,160 1,172 14,174 1,175 7,178 1,180 1,183 16,186 1,187 11,192 2,195 13,199 12,204 1,207 7,211 1,212 10,217 1,220 5,224 10,229 2,232 6,236 2,237 6,242 2,245 9,249 2,250 3,258 11,263 2,266 2,271 11,275 2094,276 22.643,277 22.643,278 22.643,279 22.643,280 22.643,281 20.001,282 16.125,283 12.89,284 23.213,285 18.72,286 18.72,287 18.72,288 18.72,289 18.72,290 14.537,291 18.426,292 6.09,293 19.668,294 3.95,295 1.953,296 1.182,297 0.582,298 0.361,299 0.361,300 4.265,304 1,305 1,306 988,307 4.062,310 83.888,311 287.469,312 102.801,314 142.637,316 164.116,318 2.23,319 57.109,322 1,323 0.83,324 1,325 0.4,326 0.5,327 1,328 1,329 0.82,330 77,331 449,332 4.5,333 4.572,334 7.182,335 4.242,336 3.349,337 4.392,338 3.904,339 11.845,340 3.065,341 4.476,342 3.707,343 6.434,344 4.053,345 3.075,346 3.967,347 1.23,348 9.931,349 3.008,350 4.311,351 3.196,352 6.32,353 3.951,354 2.975,355 3.92,356 0.86,357 9.613,358 2.891,359 4.195,360 3.13,361 6.152,362 3.797,363 2.822,364 3.569,365 0.766,366 9.078,367 2.742,368 3.867,369 2.969,370 5.912,371 3.497,372 2.527,373 3.309,374 0.521,375 8.265,376 2.446,377 3.68,378 2.602,379 5.576,380 3.325,381 2.385,382 2.93,384 7.298,385 2.187,386 3.227,387 2.372,388 5.184,389 2.941,390 1.989,391 2.37,393 6.148,394 1.863,395 3.035,396 2.199,397 4.519,398 2.601,399 1.668,400 2.302,402 4.577,403 1.548,404 2.998,405 2.072,406 4.394,407 2.5,408 1.534,409 2.211,411 4.258,412 1.48,413 2.893,414 1.667,415 4.261,416 2.468,417 1.483,418 2.016,420 3.928,421 1.457,422 2.579,423 1.535,424 3.947,425 2.19,426 1.199,427 1.58,428 2.875,429 1.168,430 2.534,431 1.513,432 3.664,433 2,434 1.047,435 1.5,436 2.388,437 1,438 2.5,439 1.23,440 3.439,441 1.986,442 1,443 1.469,445 2.275,446 0.978,447 2.351,448 1.045,449 3.414,450 1.89,451 0.903,452 1.184,454 2.242,455 0.871,456 2.118,457 1,458 3.371,459 1.67,460 0.638,461 0.906,463 1.631,464 0.645,465 15.557,466 0.458,467 1.052,468 0.031,469 46,470 1.353,471 23.5,472 0.691,473 22.5,474 0.662,475 26.669,476 0.784,477 36.043,478 0.693,479 40.603,480 1.194,481 9.457,482 0.278,483 6.835,484 0.201,485 0.098,486 0.032,487 0.347,490 3,493 0.596,494 0.953,495 0.591,496 0.98,497 0.558,498 0.845,499 0.566,500 0.702,501 0.725,502 0.871,503 0.433,504 0.864,505 0.547,506 0.783,507 0.819,508 1.03,509 0.407,510 1.044,511 0.835,512 0.847,513 1.08,514 1.115,515 0.779,516 1.188,517 0.916,518 0.908,519 1.054,520 1.012,521 0.958,522 1.07,523 0.761,524 0.824,525 0.935,526 0.993,527 0.715,528 1.023,529 0.617,530 0.699,531 0.83,532 0.943,533 0.447,534 0.972,535 0.49,536 0.618,537 0.882,538 0.973,539 0.456,540 1.073,541 8,542 0.24,543 5.111,544 2.444,545 1.894,546 1.111,547 0.813,548 0.571,549 0.436,550 0.299,551 17940,552 64062,553 2.102,554 34.6,556 16,558 1,559 1,564 1.758,565 1.952,566 3.692,567 -0.334,569 1,573 91.003,574 1.75,575 3.748,576 4.518,577 5.118,578 5.34,579 5.34,580 3.125,581 4.631,582 5.057,583 3.89,584 2182.43,585 8.859,586 33521.3,591 296.423,592 1.583,593 5.007,594 0.211,595 0.007,596 0.091,597 0.041,598 0.037,599 0.024,600 0.019,601 0.013,602 0.011,603 0.008,604 0.461,605 0.33,606 0.75,607 0.856,608 183.082,609 -0.039,610 -0.072,611 0.028,612 -0.026,613 -0.069,614 0.015,615 0.258,616 0.293,617 0.051,618 0.08,619 0.302,620 0.01,621 0.151,622 -0.01,623 0.012,624 -0.071,625 0.228,626 -0.085,627 -0.107,628 -0.129,629 -0.168,630 -0.152,631 -0.056,632 -0.181,633 -0.064,634 -0.046,635 -0.043,636 -0.014,637 -0.071,638 -0.016,639 -0.034,640 -0.017,641 0.07,642 0.004,643 -0.03,644 0.064,645 0.044,646 -0.048,647 0.121,648 0.012,649 0.09,650 0.071,651 0.308,652 0.164,653 0.062,654 -0.017,655 0.276,656 -0.077,657 6.212,658 6.064,659 0.765,660 39.516,661 1.034,662 1.132,663 3.317,664 11,665 0.693,666 3.664,667 4.043,668 4.317,669 4.543,670 4.771,671 4.934,672 5.124,673 5.263,674 5.342,675 5.517,676 7.89,677 0.694,678 465.46,679 3.664,680 5.242,681 6.107,682 7,683 7.877,684 8.77,685 9.651,686 10.543,687 11.426,688 12.318,689 5.8,696 1,697 1,699 1,703 2,704 11,705 1,706 1,709 6,711 22,716 1,719 1,729 1,731 52,733 24,734 3,735 38,737 56,738 25,739 19,740 8,741 10,742 2,746 5,747 7,752 1,757 1,761 21,762 4,766 2,771 2,775 2,778 1,779 3,781 18,782 8,783 1,784 9,787 1,790 3,794 0.6,795 3,811 1,812 3,813 1,815 1,817 1,840 3,846 3,848 34,854 3,856 1,859 1,860 1,869 3,870 5.8,873 2,875 1,877 17.417,878 9.495,879 7.167,880 3.022,881 4.207,882 1.492,883 1.034,884 5.626,885 12.76,886 3.951,887 4.588,888 5.201,889 5.75,890 6.285,891 6.65,892 7.119,893 7.491,894 7.759,895 8.209,896 0.889,897 60,898 13.468,900 6.78,901 8.248,902 23.136,904 19.444,905 2.748,906 93.417,910 200.109,911 155.242,912 36.695,914 61.29,915 44.88,917 155.242,918 261.398,919 81.576,921 11.928,922 94.762,923 97.303,924 95.981,925 2.144,926 188.338,927 7.76,928 200.109,929 191.937,930 106.17,933 200.109,934 106.17,937 47.236,938 127.916,939 16.786,941 244.989,942 97.985,943 155.242,946 207.868,947 44.101,948 106.505,949 16.786,950 122.956,951 200.109,952 142.865,953 155.242,955 0.602,956 0.351,957 0.174,958 0.09,959 29,960 13,961 0.054,962 3,963 2,964 1.154,965 4.438,966 328.873,967 0.154,968 26,969 164.219,974 22.183,975 8.623,976 4.451,977 1.773,978 126.08,979 17.822,980 4.29,981 3.058,984 3.084,986 16.786,987 498.216,988 51,993 24.459,997 -2.296,999 53.778,1000 58.879,1001 0.307,1002 0.657,1003 0.793,1004 0.898,1005 0.937,1006 0.937,1007 5.218,1008 1.668,1009 6.138,1010 6.148,1011 4.727,1012 5.276,1013 3.368,1014 6.997,1015 4.643,1016 6.456,1017 1.534,1018 7.739,1019 4.577,1020 4.511,1021 5.173,1022 3.911,1023 8.116,1024 4.325,1025 7.789,1026 1.483,1027 9.447,1028 4.258,1029 6.418,1030 7.512,1031 5.547,1032 11.143,1033 6.245,1034 9.157,1035 1.199,1036 11.216,1037 3.928,1038 6.995,1039 8.208,1040 6.781,1041 13.036,1042 6.722,1043 10.555,1044 1.047,1045 13.025,1046 2.875,1047 8.414,1048 10.038,1049 8.186,1050 15.636,1051 8.135,1052 11.974,1053 1,1054 14.86,1055 2.388,1056 9.321,1057 11.097,1058 9.529,1059 17.83,1060 8.952,1061 13.408,1062 0.903,1063 16.714,1064 2.275,1065 10.568,1066 12.716,1067 10.898,1068 20.304,1069 10.171,1070 3.349,1071 0.638,1072 18.583,1073 2.242,1074 11.618,1075 13.957,1076 12.257,1077 22.631,1078 11.138,1079 3.075,1080 11.845,1081 20.464,1082 1.631,1083 12.806,1084 15.48,1085 13.62,1086 25.072,1087 12.279,1088 2.975,1089 9.931,1090 22.355,1091 4.392,1092 13.92,1093 16.818,1094 14.981,1095 27.462,1096 13.314,1097 2.822,1098 9.613,1099 24.254,1100 3.967,1101 15.09,1102 18.297,1103 16.343,1104 29.9,1105 14.425,1106 2.527,1107 9.078,1108 26.161,1109 3.92,1110 16.235,1111 19.687,1112 17.705,1113 32.322,1114 15.492,1115 2.385,1116 8.265,1117 28.075,1118 3.569,1119 17.403,1120 21.149,1121 19.067,1122 34.766,1123 16.592,1124 1.989,1125 7.298,1126 29.995,1127 3.309,1128 18.565,1129 22.568,1130 20.429,1131 37.207,1132 17.674,1133 16732,1134 31902,1135 25.255,1136 36.046,1137 59.383,1138 59.673,1139 59.308,1140 58.315,1141 58.031,1142 76.486,1143 14.562,1144 174.774,1145 55.499,1146 5.421,1147 6.572,1148 6.71,1149 5.315,1150 5.349,1151 7.392,1152 5.553,1153 19.306,1154 5.065,1155 17.825,1156 1.563,1157 1.57,1158 1.561,1159 1.535,1160 1.527,1161 2.013,1162 0.383,1163 4.599,1164 1.46,1165 4.124,1166 4.16,1167 4.086,1168 4.034,1169 8.516,1170 4.041,1171 3.982,1172 4.009,1173 3.941,1174 3.891,1175 7.999,1176 3.897,1177 3.899,1178 3.923,1179 3.854,1180 3.805,1181 7.999,1182 3.813,1183 3.62,1184 3.659,1185 3.602,1186 3.418,1187 7.428,1188 3.445,1189 3.494,1190 3.528,1191 3.438,1192 3.251,1193 7.418,1194 3.295,1195 3.314,1196 3.371,1197 3.24,1198 3.148,1199 5.088,1200 3.161,1201 3.202,1202 3.251,1203 3.084,1204 2.976,1205 4.831,1206 2.985,1207 2.999,1208 3.035,1209 2.898,1210 2.816,1211 4.664,1212 2.836,1213 0.118,1214 0.12,1215 0.189,1216 0.112,1217 0.088,1218 4.5,1219 0.116,1220 4.572,1221 0.103,1222 7.182,1223 0.312,1224 4.242,1225 0.081,1226 3.349,1227 4.392,1228 3.904,1229 11.845,1230 3.065,1231 2.005,1232 1.986,1233 2.082,1234 2.076,1235 1.249,1236 2.079,1237 1.928,1238 1.91,1239 2.017,1240 2.024,1241 1.14,1242 2.019,1243 1.791,1244 1.766,1245 1.889,1246 1.898,1247 1.061,1248 1.896,1249 1.566,1250 1.513,1251 1.782,1252 1.81,1253 1.014,1254 1.798,1255 1.367,1256 1.303,1257 1.53,1258 1.655,1259 0.641,1260 1.625,1261 1.314,1262 1.285,1263 1.428,1264 1.611,1265 0.449,1266 1.526,1267 1.161,1268 1.113,1269 1.328,1270 1.383,1271 0.36,1272 1.384,1273 0.948,1274 0.899,1275 1.181,1276 1.151,1277 0.218,1278 1.129,1279 4.344,1281 5.707,1282 2.398,1283 7.251,1284 4.727,1285 8.87,1286 6.804,1287 10.529,1291 37.928,1295 0.864,1297 5.821,1300 1.576,1301 -4.962,1305 36.1,1306 91.003,1307 194.885,1308 234.939,1309 266.158,1310 277.668,1311 277.668,1312 73.335,1313 8.553,1314 75.29,1315 75.29,1316 30,1317 12.847,1318 4.644,1319 3.807,1320 50.155,1321 161,1322 144,1323 0.15,1324 214.449,1325 381.56,1326 515.017,1327 71288,1328 5.8,1329 23.872,1330 0.702,1331 0.521,1332 21.372,1333 17.725,1334 16.292,1335 0.429,1336 0.276,1337 10.295,1338 15.51,1339 10.168,1340 8.299,1341 15.081,1342 10.496,1343 15.733,1344 0.281,1345 0.142,1346 13.822,1347 7.936,1348 13.309,1349 0.18,1350 0.077,1351 12.179,1352 5.734,1353 10.516,1354 0.113,1355 0.043,1356 9.976,1357 3.969,1358 8.382,1359 0.072,1360 0.023,1361 7.978,1362 2.716,1363 0.239,1364 103.547,1365 0.199,1366 31.601,1367 0.402,1368 188,1369 767.163,1370 218.79,1371 655.015,1372 861.94,1373 608,1374 224,1375 606.981,1376 250.438,1377 594.743,1378 895.55,1379 559,1380 7.051}
{0 CHEMBL2348862,1 1.598,2 10.857,3 1.411,4 1.991,5 104.873,6 7.236,7 0.387,8 4.079,9 4.202,10 3.619,11 3.551,12 5.142,13 3.545,14 4.659,15 4.842,16 4.015,17 3.965,18 5.71,19 3.943,20 4.952,21 5.156,22 4.075,23 4.14,24 6.029,25 4.075,26 5.022,27 5.297,28 3.958,29 4.105,30 5.963,31 4.006,32 4.892,33 5.143,34 3.875,35 4.025,36 5.87,37 3.933,38 4.772,39 5.01,40 3.857,41 3.96,42 5.704,43 3.881,44 4.747,45 4.96,46 3.869,47 3.898,48 5.85,49 3.847,50 4.727,51 4.96,52 3.706,53 3.81,54 5.872,55 3.731,56 0.059,57 0.811,58 11.565,59 4.593,60 11.399,61 6.358,62 0.327,63 1.297,64 22.836,65 7.655,66 30.776,67 10.968,68 0.626,69 1.611,70 32.03,71 10.129,72 67.141,73 14.613,74 0.539,75 1.626,76 35.983,77 10.212,78 61.218,79 16.357,80 0.558,81 1.444,82 31.173,83 9.322,84 59.294,85 14.258,86 0.299,87 1.331,88 26.766,89 8.739,90 32.661,91 13.159,92 0.488,93 1.281,94 26.268,95 7.513,96 53.159,97 11.266,98 0.654,99 1.181,100 26.536,101 7.185,102 71.521,103 11.006,104 18,105 45,106 0.267,107 0.625,108 0.815,109 0.827,110 0.827,111 0.827,112 3.375,113 0.928,114 -2.84,115 -2.85,116 -2.76,119 37.7,120 2,121 2,122 1,125 4,130 1,142 2,143 1,145 2,146 2,147 2,158 1,172 4,174 1,175 6,178 2,180 2,183 3,186 3,187 8,190 3,192 1,195 2,198 2,199 4,204 1,207 2,211 3,212 6,217 3,220 2,223 1,224 5,229 3,232 1,236 1,237 3,240 2,242 1,245 3,249 2,250 4,253 2,258 3,262 1,263 6,266 1,271 2,275 1244,276 18.574,277 18.574,278 18.574,279 18.574,280 18.574,281 17.097,282 23.199,283 10.813,284 19.051,285 15.344,286 15.344,287 15.344,288 15.344,289 15.344,290 13.004,291 31.561,292 5.186,293 16.123,294 4.13,295 1.99,296 0.859,297 0.783,298 0.783,299 0.783,300 4.07,303 1,304 1,305 1,306 657,307 3.317,311 313.982,315 122.636,318 1.724,319 31.93,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 61.5,331 304,332 4.471,333 3.701,334 7.111,335 4.274,336 3.316,337 4.085,338 1.959,339 11.659,340 3.169,341 4.394,342 3.673,343 6.576,344 4.067,345 3.128,346 3.806,347 0.86,348 10.504,349 2.937,350 4.034,351 3.122,352 6.097,353 3.73,354 2.753,355 3.381,356 0.815,357 8.908,358 2.684,359 3.559,360 2.785,361 5.465,362 3.484,363 2.505,364 2.75,365 0.765,366 7.264,367 2.453,368 3.519,369 2.613,370 5.059,371 3.139,372 2.134,373 2.59,374 0.163,375 5.968,376 2.128,377 3.209,378 2.322,379 5.019,380 2.916,381 2,382 2.406,384 5.896,385 1.83,386 3.131,387 1.925,388 4.715,389 2.766,390 1.81,391 2.239,393 5.123,394 1.721,395 2.694,396 1.916,397 4.286,398 2.315,399 1.441,400 1.765,402 3.772,403 1.249,404 2.536,405 1.371,406 3.857,407 2.236,408 1.271,409 1.538,411 3.159,412 1.223,413 2.5,414 1.207,415 3.552,416 1.969,417 1.002,418 1.5,420 2.612,421 0.963,422 2.287,423 1.2,424 3.414,425 1.958,426 1,427 1.251,428 2.275,429 0.955,430 2,431 1,432 3.247,433 1.915,434 1,435 1,436 2.136,437 0.911,438 1.402,439 0.752,440 2.988,441 1.072,442 0.138,443 0.156,445 0.37,446 0.128,447 1,448 0.382,449 2.83,450 0.803,451 -0.171,452 -0.196,454 -0.433,455 -0.163,456 0.912,457 -0.174,458 2.582,459 0.491,460 -0.488,461 -0.616,463 -1.218,464 -0.472,465 13,466 0.464,467 0.86,468 0.031,469 33.75,470 1.205,471 14.5,472 0.518,473 19.25,474 0.688,475 26.061,476 0.931,477 31.4,478 0.592,479 25.117,480 0.897,481 6.192,482 0.221,483 7.206,484 0.257,485 0.128,486 0.038,487 0.3,493 0.859,494 1.541,495 0.809,496 1.233,497 0.756,498 1.043,499 0.967,500 1.168,501 0.844,502 1.003,503 0.653,504 0.915,505 1.131,506 1.154,507 1.11,508 1.101,509 1.184,510 1.116,511 0.769,512 0.961,513 0.887,514 0.881,515 0.624,516 0.883,517 0.907,518 0.925,519 0.985,520 0.899,521 0.916,522 0.94,523 0.762,524 1.134,525 0.877,526 1.061,527 0.827,528 0.994,529 1.209,530 1.131,531 1.112,532 1.062,533 1.251,534 1.059,535 1.148,536 0.944,537 1.197,538 0.989,539 1.311,540 1.068,541 7,542 0.14,543 3.333,544 1.75,545 1.511,546 1.097,547 0.688,548 0.432,549 0.353,550 0.227,551 9741,552 25084,553 2.085,554 47.2,556 10,558 2,559 2,561 11,564 1.712,565 1.942,566 3.403,567 0.282,568 1,569 1,573 84.68,574 1.598,575 3.738,576 4.869,577 4.945,578 4.945,579 4.945,580 2.91,581 4.111,582 4.776,583 3.591,584 1357.29,585 8.314,586 17741.7,588 1,590 1,591 303.58,592 1.572,593 4.728,594 0.226,595 0.007,596 0.074,597 0.039,598 0.038,599 0.03,600 0.019,601 0.012,602 0.012,603 0.01,604 0.466,605 0.33,606 1,607 0.744,608 140.142,609 -0.07,610 -0.263,611 0.054,612 -0.081,613 -0.079,614 -0.006,615 -0.005,616 -0.021,617 0.092,618 0.04,619 0.073,620 0.074,621 -0.05,622 -0.086,623 -0.143,624 -0.098,625 -0.082,626 -0.147,627 -0.004,628 0.027,629 0.087,630 0.062,631 0.056,632 0.093,633 -0.028,634 0.085,635 -0.014,636 0.07,637 -0.042,638 0.038,639 -0.007,640 -0.103,641 0.064,642 -0.045,643 -0.033,644 0.015,645 -0.092,646 -0.056,647 -0.13,648 -0.099,649 -0.103,650 -0.117,651 0.004,652 0.089,653 -0.195,654 -0.059,655 -0.057,656 -0.139,657 2.245,658 5.085,659 0.786,660 27.52,661 1.006,662 1.137,663 1.611,664 2.596,665 0.642,666 3.466,667 3.829,668 4.06,669 4.317,670 4.595,671 4.718,672 4.89,673 4.99,674 5.147,675 5.257,676 6.52,677 0.614,678 383.5,679 3.466,680 5.03,681 5.878,682 6.77,683 7.636,684 8.531,685 9.405,686 10.301,687 11.181,688 12.079,689 9.4,695 1,696 1,699 3,704 4,705 3,709 5,711 12,726 1,731 53,733 13,735 31,737 56,738 20,739 9,746 4,747 5,752 2,755 2,756 1,758 2,761 10,762 10,763 2,766 1,771 1,775 1,777 1,778 1,781 25,782 8,783 2,784 8,790 5,794 0.75,795 3,798 1,802 1,805 1,812 4,816 1,826 1,838 1,839 1,840 3,844 2,848 28,853 1,854 6,855 1,856 1,858 1,859 1,860 1,870 5.7,871 1,873 1,874 1,877 14.417,878 10,879 5.917,880 3.224,881 2.318,882 1.299,883 0.929,884 5.217,885 10.08,886 3.664,887 4.22,888 4.723,889 5.264,890 5.831,891 6.141,892 6.582,893 6.902,894 7.293,895 7.633,896 1,897 45,898 10.41,900 4.521,901 7.771,902 19.942,904 16.754,905 2.271,906 63.583,910 270.735,911 91.223,912 71.492,914 78.828,917 91.223,918 349.564,919 71.492,920 17.65,921 36.476,922 61.636,923 114.748,924 29.918,925 4.656,926 247.193,928 270.735,929 162.714,930 78.828,933 141.253,934 154.627,935 53.683,937 77.735,938 34.623,939 50.357,941 270.735,942 150.32,943 91.223,946 270.735,947 36.525,948 57.822,949 18.011,950 129.185,951 270.735,952 150.32,953 91.223,955 0.595,956 0.33,957 0.171,958 0.097,959 23,960 10,961 0.071,962 4,963 1,964 1.091,965 3.928,966 248.164,967 0.091,968 22,969 128.606,974 19.099,975 7.649,976 4.287,978 150.32,979 6.991,980 13.542,984 3.27,986 60.694,987 512.278,988 38,993 12.085,997 -0.071,999 53.327,1000 60.272,1001 0.279,1002 0.653,1003 0.85,1004 0.863,1005 0.863,1006 0.863,1007 4.942,1008 1.441,1009 5.905,1010 5.123,1011 4.511,1012 4.905,1013 2.416,1014 6.751,1015 4.417,1016 6.145,1017 1.271,1018 7.493,1019 3.772,1020 4.29,1021 4.758,1022 1.668,1023 7.888,1024 4.171,1025 7.461,1026 1.002,1027 9.19,1028 3.159,1029 6.188,1030 7.011,1031 3.138,1032 10.898,1033 6.007,1034 8.808,1035 1,1036 10.954,1037 2.612,1038 6.746,1039 7.623,1040 3.135,1041 12.831,1042 6.532,1043 10.188,1044 1,1045 12.761,1046 2.275,1047 8.181,1048 9.424,1049 4.24,1050 15.429,1051 7.907,1052 11.589,1053 0.138,1054 14.599,1055 2.136,1056 9.08,1057 10.394,1058 4.573,1059 17.664,1060 8.764,1061 13.007,1062 -0.171,1063 16.459,1064 0.37,1065 10.342,1066 11.995,1067 5.485,1068 20.139,1069 9.97,1070 3.316,1071 -0.488,1072 18.335,1073 -0.433,1074 11.394,1075 13.15,1076 5.975,1077 22.491,1078 10.974,1079 3.128,1080 11.659,1081 20.224,1082 -1.218,1083 12.593,1084 14.652,1085 6.782,1086 24.93,1087 12.119,1088 2.753,1089 10.504,1090 22.124,1091 4.085,1092 13.712,1093 15.908,1094 7.353,1095 27.329,1096 13.189,1097 2.505,1098 8.908,1099 24.031,1100 3.806,1101 14.891,1102 17.357,1103 8.101,1104 29.762,1105 14.316,1106 2.134,1107 7.264,1108 25.946,1109 3.381,1110 16.041,1111 18.67,1112 8.717,1113 32.181,1114 15.416,1115 2,1116 5.968,1117 27.866,1118 2.75,1119 17.216,1120 20.092,1121 9.432,1122 34.615,1123 16.54,1124 1.81,1125 5.896,1126 29.791,1127 2.59,1128 18.381,1129 21.438,1130 10.073,1131 37.045,1132 17.656,1133 9312,1134 15071,1135 20.572,1136 34.006,1137 47.604,1138 48.405,1139 47.289,1140 46.938,1141 46.998,1142 56.929,1143 9.123,1144 139.291,1145 44.704,1146 5.471,1147 5.701,1148 6.913,1149 5.356,1150 5.316,1151 7.085,1152 3.43,1153 18.643,1154 5.124,1155 14.001,1156 1.536,1157 1.561,1158 1.525,1159 1.514,1160 1.516,1161 1.836,1162 0.294,1163 4.493,1164 1.442,1165 4.024,1166 4.069,1167 3.985,1168 3.89,1169 7.429,1170 3.906,1171 3.873,1172 3.917,1173 3.805,1174 3.729,1175 6.45,1176 3.737,1177 3.782,1178 3.83,1179 3.675,1180 3.615,1181 5.009,1182 3.628,1183 3.561,1184 3.607,1185 3.464,1186 3.399,1187 4.773,1188 3.405,1189 3.375,1190 3.432,1191 3.271,1192 3.181,1193 4.61,1194 3.196,1195 3.201,1196 3.262,1197 3.076,1198 2.941,1199 4.119,1200 2.949,1201 3.111,1202 3.206,1203 2.866,1204 2.927,1205 4.066,1206 2.91,1207 2.874,1208 3.009,1209 2.719,1210 2.704,1211 3.926,1212 2.698,1213 0.144,1214 0.119,1215 0.229,1216 0.138,1217 0.107,1218 4.471,1219 0.132,1220 3.701,1221 0.063,1222 7.111,1223 0.376,1224 4.274,1225 0.102,1226 3.316,1227 4.085,1228 1.959,1229 11.659,1230 3.169,1231 1.934,1232 1.899,1233 2.051,1234 2.095,1235 1.422,1236 2.076,1237 1.84,1238 1.793,1239 2.009,1240 2.004,1241 1.136,1242 2.009,1243 1.725,1244 1.679,1245 1.864,1246 1.926,1247 1.018,1248 1.914,1249 1.526,1250 1.478,1251 1.743,1252 1.723,1253 0.883,1254 1.732,1255 1.32,1256 1.264,1257 1.513,1258 1.543,1259 0.825,1260 1.538,1261 1.153,1262 1.064,1263 1.511,1264 1.417,1265 0.644,1266 1.429,1267 1.117,1268 1.053,1269 1.417,1270 1.376,1271 0.551,1272 1.408,1273 0.934,1274 0.804,1275 1.403,1276 1.239,1277 0.469,1278 1.308,1279 4.143,1281 5.493,1283 7.036,1285 8.663,1287 10.334,1289 3.398,1294 10.078,1295 4.549,1296 2.807,1297 5.439,1299 0.477,1300 2.013,1301 -0.995,1305 32.519,1306 84.68,1307 198.114,1308 258.07,1309 262.07,1310 262.07,1311 262.07,1312 53.457,1313 7.762,1314 100.47,1315 100.47,1316 24,1317 12.606,1318 3.807,1319 3,1320 42.381,1321 108,1322 102,1323 0.191,1324 198.512,1325 346.21,1326 476.13,1327 25179,1329 19.725,1330 0.704,1331 0.578,1332 19.725,1333 16.182,1334 13.398,1335 0.432,1336 0.309,1337 9.427,1338 12.77,1339 9.163,1340 7.556,1341 13.398,1342 9.588,1343 13.051,1344 0.29,1345 0.176,1346 13.051,1347 7.903,1348 10.128,1349 0.178,1350 0.09,1351 10.128,1352 5.151,1353 8.484,1354 0.115,1355 0.048,1356 8.484,1357 3.546,1358 7.031,1359 0.072,1360 0.025,1361 7.031,1362 2.471,1363 0.298,1364 84.765,1365 0.22,1366 26.631,1367 0.53,1368 152,1369 444.534,1370 169.936,1371 423.092,1372 574.87,1373 396,1374 178,1375 420.12,1376 196.579,1377 423.845,1378 621.02,1379 397,1380 4.523}
{0 CHEMBL2348863,1 1.622,2 10.815,3 1.298,4 1.685,5 99.043,6 7.389,7 0.4,8 4.029,9 4.15,10 3.587,11 3.499,12 5.112,13 3.5,14 4.603,15 4.78,16 3.994,17 3.918,18 5.689,19 3.901,20 4.876,21 5.078,22 4.025,23 4.063,24 5.968,25 4.008,26 4.942,27 5.21,28 3.89,29 4.017,30 5.948,31 3.925,32 4.791,33 5.042,34 3.817,35 3.906,36 5.783,37 3.83,38 4.634,39 4.855,40 3.782,41 3.803,42 5.683,43 3.757,44 4.557,45 4.753,46 3.768,47 3.719,48 5.794,49 3.689,50 4.507,51 4.733,52 3.532,53 3.647,54 5.634,55 3.57,56 0.071,57 0.772,58 10.622,59 4.265,60 12.011,61 5.818,62 0.39,63 1.234,64 21.156,65 7.317,66 31.98,67 10.232,68 0.536,69 1.492,70 29.191,71 9.35,72 59.774,73 13.355,74 0.622,75 1.488,76 33.322,77 9.299,78 74.032,79 14.671,80 0.492,81 1.294,82 28.177,83 8.285,84 47.834,85 12.619,86 0.376,87 1.162,88 23.195,89 6.816,90 42.154,91 10.163,92 0.577,93 1.076,94 21.235,95 5.848,96 59.253,97 8.68,98 0.467,99 0.978,100 20.704,101 6.065,102 53.907,103 9.041,104 18,105 44,106 0.275,107 0.636,108 0.808,109 0.822,110 0.822,111 0.822,112 3.34,113 0.914,114 -2.75,115 -2.77,116 -2.68,119 38,120 2,121 2,122 1,125 3,130 1,142 2,143 1,145 2,146 2,147 2,159 1,172 4,174 2,175 6,178 3,180 2,183 3,186 2,187 8,190 2,192 1,195 2,198 3,199 5,204 2,207 2,211 2,212 7,217 4,220 2,223 1,224 4,229 1,232 1,236 2,237 3,240 3,242 1,245 3,249 2,250 4,253 1,258 3,263 5,266 1,271 2,275 1092,276 17.919,277 17.919,278 17.919,279 17.919,280 17.919,281 16.467,282 22.524,283 10.357,284 18.412,285 14.828,286 14.828,287 14.828,288 14.828,289 14.828,290 12.518,291 30.634,292 4.944,293 15.623,294 4.022,295 1.885,296 0.87,297 0.79,298 0.79,299 0.79,300 4.035,304 1,305 1,306 633,307 3.317,310 61.695,311 239.191,314 109.933,318 1.748,319 31.87,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 59.5,331 292,332 4.501,333 3.786,334 7.111,335 4.274,336 3.316,337 4.11,338 1.701,339 11.659,340 3.169,341 4.428,342 3.701,343 6.745,344 4.147,345 3.211,346 3.826,347 0.86,348 11.036,349 3.002,350 4.073,351 2.944,352 6.125,353 3.754,354 2.778,355 3.417,356 0.765,357 8.996,358 2.709,359 3.586,360 2.695,361 5.539,362 3.471,363 2.491,364 2.81,365 0.563,366 7.276,367 2.44,368 3.421,369 2.6,370 5.237,371 3.057,372 2.095,373 2.489,374 0.075,375 6.275,376 2.007,377 3.173,378 2.211,379 4.781,380 2.763,381 1.821,382 2.361,384 5.228,385 1.716,386 2.969,387 1.916,388 4.692,389 2.603,390 1.661,391 2.084,393 4.851,394 1.548,395 2.691,396 1.862,397 4.268,398 2.312,399 1.437,400 1.761,402 3.693,403 1.247,404 2.5,405 1.362,406 3.72,407 2.227,408 1.259,409 1.5,411 3.125,412 1.214,413 2.5,414 1.2,415 3.485,416 1.969,417 1,418 1.495,420 2.275,421 0.963,422 2.069,423 1.062,424 3.414,425 1.958,426 1,427 1,428 2.136,429 0.955,430 2,431 1,432 3.247,433 1.726,434 0.808,435 0.98,436 2.127,437 0.738,438 1.371,439 0.624,440 2.918,441 1.022,442 0.072,443 0.083,445 0.185,446 0.067,447 0.912,448 0.039,449 2.795,450 0.591,451 -0.364,452 -0.426,454 -0.926,455 -0.345,456 0.787,457 -0.214,458 2.5,459 0.448,460 -0.554,461 -0.705,463 -1.331,464 -0.545,465 12.5,466 0.463,467 0.843,468 0.031,469 33.25,470 1.231,471 14.5,472 0.537,473 18.75,474 0.694,475 24.15,476 0.894,477 30.1,478 0.602,479 24.345,480 0.902,481 6.06,482 0.224,483 6.854,484 0.254,485 0.133,486 0.04,487 0.312,493 0.863,494 1.541,495 0.789,496 1.22,497 0.759,498 1.023,499 0.87,500 1.095,501 0.807,502 0.98,503 0.63,504 0.9,505 1.113,506 1.211,507 1.063,508 1.132,509 1.099,510 1.107,511 0.84,512 0.912,513 0.932,514 0.858,515 0.788,516 0.889,517 0.924,518 0.96,519 0.909,520 0.892,521 0.951,522 0.889,523 1.122,524 1.12,525 0.995,526 0.992,527 1.331,528 0.962,529 1.136,530 1.109,531 1.145,532 1.053,533 1.277,534 1.079,535 1.049,536 0.957,537 1.166,538 1.019,539 1.099,540 1.089,541 6.5,542 0.175,543 3.556,544 2.014,545 1.222,546 1.164,547 0.65,548 0.408,549 0.273,550 0.218,551 8955,552 23388,553 2.088,554 46,556 8,558 2,559 2,561 11,564 1.7,565 1.94,566 3.401,567 0.304,568 1,569 1,573 81.076,574 1.622,575 3.759,576 4.774,577 4.854,578 4.854,579 4.854,580 2.908,581 4.208,582 4.724,583 3.581,584 1256.82,585 8.2,586 15990.3,588 1,591 282.193,592 1.596,593 4.673,594 0.217,595 0.009,596 0.081,597 0.047,598 0.033,599 0.033,600 0.019,601 0.013,602 0.011,603 0.01,604 0.473,605 0.33,606 1,607 0.76,608 133.69,609 -0.079,610 -0.275,611 0.053,612 -0.085,613 -0.087,614 -0.006,615 0.081,616 0.046,617 0.114,618 0.062,619 0.096,620 0.081,621 -0.078,622 -0.16,623 -0.108,624 -0.125,625 -0.062,626 -0.135,627 -0.006,628 0.067,629 0.053,630 0.079,631 0.043,632 0.083,633 -0.035,634 0.025,635 0.07,636 0.072,637 -0.057,638 0.091,639 -0.141,640 -0.068,641 -0.029,642 -0.021,643 -0.165,644 -0.003,645 0.059,646 -0.001,647 -0.167,648 -0.113,649 0.009,650 -0.169,651 -0.042,652 0.085,653 -0.195,654 -0.058,655 -0.054,656 -0.137,657 2.251,658 5.371,659 0.778,660 26.23,661 1.009,662 1.137,663 1.522,664 2.316,665 0.645,666 3.434,667 3.807,668 4.06,669 4.317,670 4.564,671 4.682,672 4.883,673 4.984,674 5.081,675 5.231,676 6.443,677 0.62,678 369.47,679 3.434,680 5.004,681 5.861,682 6.758,683 7.635,684 8.535,685 9.421,686 10.323,687 11.215,688 12.119,689 10,696 2,699 3,704 4,705 3,709 5,711 12,731 50,733 13,735 30,737 53,738 19,739 9,746 4,747 5,751 1,752 2,755 2,756 1,758 2,761 10,762 9,763 2,766 1,771 1,775 1,777 1,778 1,781 23,782 8,783 2,784 8,790 5,794 0.75,795 3,798 1,802 1,805 1,811 1,812 3,815 1,838 1,839 1,840 3,844 2,848 27,853 1,854 5,855 1,856 1,858 1,859 1,860 1,870 6,871 1,873 1,874 1,877 13.917,878 9.5,879 5.694,880 3.049,881 2.331,882 1.303,883 0.931,884 4.745,885 10.028,886 3.638,887 4.205,888 4.732,889 5.279,890 5.836,891 6.141,892 6.603,893 6.935,894 7.269,895 7.65,896 1,897 43,898 10.034,900 4.387,901 7.799,902 19.126,904 16.092,905 2.299,906 62.083,910 247.193,911 88.688,912 71.492,914 78.828,917 88.688,918 326.021,919 71.492,920 17.65,921 37.495,922 61.636,923 110.044,924 26.794,925 8.932,926 223.651,928 247.193,929 160.18,930 78.828,933 117.711,934 154.627,935 53.683,937 78.753,938 31.07,939 50.357,941 247.193,942 150.32,943 88.688,946 247.193,947 33.99,948 57.822,949 18.011,950 129.185,951 247.193,952 150.32,953 88.688,955 0.598,956 0.338,957 0.173,958 0.095,959 23,960 10,961 0.075,962 4,963 1,964 1.095,965 3.859,966 236.537,967 0.095,968 21,969 122.382,974 18.145,975 7.061,976 3.754,978 150.32,979 6.908,980 13.341,984 3.034,986 60.694,987 486.201,988 37,993 12.371,997 -0.191,999 50.443,1000 56.857,1001 0.287,1002 0.666,1003 0.846,1004 0.86,1005 0.86,1006 0.86,1007 4.92,1008 1.437,1009 5.894,1010 4.851,1011 4.489,1012 4.89,1013 2.207,1014 6.758,1015 4.389,1016 6.13,1017 1.259,1018 7.495,1019 3.693,1020 4.29,1021 4.758,1022 1.305,1023 7.928,1024 4.161,1025 7.453,1026 1,1027 9.206,1028 3.125,1029 6.184,1030 7.013,1031 2.646,1032 10.951,1033 5.993,1034 8.809,1035 1,1036 10.984,1037 2.275,1038 6.781,1039 7.65,1040 2.473,1041 12.917,1042 6.551,1043 10.199,1044 0.808,1045 12.804,1046 2.136,1047 8.21,1048 9.447,1049 3.428,1050 15.525,1051 7.922,1052 11.611,1053 0.072,1054 14.653,1055 2.127,1056 9.142,1057 10.439,1058 3.608,1059 17.783,1060 8.806,1061 13.041,1062 -0.364,1063 16.522,1064 0.185,1065 10.404,1066 12.037,1067 4.368,1068 20.267,1069 10.012,1070 3.316,1071 -0.554,1072 18.407,1073 -0.926,1074 11.478,1075 13.209,1076 4.717,1077 22.633,1078 11.034,1079 3.211,1080 11.659,1081 20.304,1082 -1.331,1083 12.681,1084 14.709,1085 5.375,1086 25.08,1087 12.182,1088 2.778,1089 11.036,1090 22.21,1091 4.11,1092 13.815,1093 15.978,1094 5.808,1095 27.488,1096 13.263,1097 2.491,1098 8.996,1099 24.123,1100 3.826,1101 14.999,1102 17.428,1103 6.41,1104 29.925,1105 14.393,1106 2.095,1107 7.276,1108 26.042,1109 3.417,1110 16.159,1111 18.752,1112 6.887,1113 32.35,1114 15.5,1115 1.821,1116 6.275,1117 27.966,1118 2.81,1119 17.34,1120 20.175,1121 7.458,1122 34.786,1123 16.627,1124 1.661,1125 5.228,1126 29.894,1127 2.489,1128 18.512,1129 21.53,1130 7.96,1131 37.219,1132 17.746,1133 8548,1134 13949,1135 19.879,1136 32.245,1137 46.497,1138 47.291,1139 46.328,1140 45.868,1141 45.897,1142 55.833,1143 7.929,1144 137.725,1145 43.554,1146 5.501,1147 5.786,1148 6.913,1149 5.349,1150 5.316,1151 7.11,1152 2.972,1153 18.609,1154 5.124,1155 13.578,1156 1.55,1157 1.576,1158 1.544,1159 1.529,1160 1.53,1161 1.861,1162 0.264,1163 4.591,1164 1.452,1165 4.028,1166 4.073,1167 3.995,1168 3.891,1169 7.43,1170 3.908,1171 3.873,1172 3.916,1173 3.812,1174 3.727,1175 6.45,1176 3.737,1177 3.781,1178 3.828,1179 3.673,1180 3.612,1181 5.011,1182 3.626,1183 3.538,1184 3.586,1185 3.436,1186 3.375,1187 4.775,1188 3.38,1189 3.314,1190 3.37,1191 3.223,1192 3.088,1193 4.61,1194 3.113,1195 3.111,1196 3.206,1197 2.951,1198 2.941,1199 4.067,1200 2.91,1201 3.095,1202 3.156,1203 2.866,1204 2.836,1205 4.058,1206 2.851,1207 2.874,1208 3.009,1209 2.666,1210 2.625,1211 3.923,1212 2.627,1213 0.15,1214 0.126,1215 0.237,1216 0.142,1217 0.111,1218 4.501,1219 0.137,1220 3.786,1221 0.057,1222 7.111,1223 0.389,1224 4.274,1225 0.106,1226 3.316,1227 4.11,1228 1.701,1229 11.659,1230 3.169,1231 1.919,1232 1.887,1233 2.038,1234 2.051,1235 1.416,1236 2.042,1237 1.823,1238 1.775,1239 2.009,1240 1.999,1241 1.134,1242 2.009,1243 1.675,1244 1.63,1245 1.821,1246 1.866,1247 0.926,1248 1.85,1249 1.455,1250 1.399,1251 1.634,1252 1.655,1253 0.825,1254 1.659,1255 1.327,1256 1.274,1257 1.521,1258 1.651,1259 0.79,1260 1.605,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.609,1266 1.429,1267 1.018,1268 0.962,1269 1.417,1270 1.313,1271 0.469,1272 1.308,1273 0.934,1274 0.804,1275 1.22,1276 1.239,1277 0.278,1278 1.3,1279 4.111,1281 5.468,1282 2.398,1283 7.013,1284 4.844,1285 8.636,1286 7.018,1287 10.299,1289 3.38,1294 10.045,1295 3.954,1296 2.778,1297 5.399,1299 0.397,1300 1.667,1301 -1.001,1305 30.993,1306 81.076,1307 187.951,1308 238.683,1309 242.683,1310 242.683,1311 242.683,1312 50.695,1313 7.697,1314 105.92,1315 105.92,1316 23,1317 12.641,1318 3.807,1319 3,1320 40.238,1321 104,1322 97,1323 0.191,1324 188.92,1325 328.91,1326 452.724,1327 22960,1329 19.018,1330 0.704,1331 0.573,1332 19.018,1333 15.475,1334 12.915,1335 0.43,1336 0.305,1337 8.984,1338 12.295,1339 8.742,1340 7.211,1341 12.915,1342 9.142,1343 12.591,1344 0.286,1345 0.171,1346 12.591,1347 7.515,1348 10.038,1349 0.176,1350 0.087,1351 10.038,1352 4.948,1353 8.293,1354 0.112,1355 0.045,1356 8.293,1357 3.324,1358 6.78,1359 0.071,1360 0.024,1361 6.78,1362 2.262,1363 0.299,1364 81.829,1365 0.224,1366 25.87,1367 0.526,1368 148,1369 440.534,1370 166.435,1371 419.001,1372 572.03,1373 392,1374 175,1375 422.824,1376 193.995,1377 425.496,1378 627.12,1379 399,1380 4.523}
{0 CHEMBL2348864,1 1.616,2 12.233,3 1.924,4 3.701,5 111.365,6 7.651,7 0.5,8 4.1,9 4.228,10 3.701,11 3.593,12 5.181,13 3.597,14 4.664,15 4.842,16 4.053,17 4.005,18 5.71,19 3.983,20 4.912,21 5.134,22 4.06,23 4.144,24 5.884,25 4.072,26 4.941,27 5.192,28 3.988,29 4.108,30 5.881,31 4.018,32 4.915,33 5.18,34 3.911,35 4.031,36 5.864,37 3.95,38 4.759,39 4.989,40 3.846,41 3.974,42 5.687,43 3.898,44 4.752,45 4.977,46 3.905,47 3.986,48 5.723,49 3.915,50 4.823,51 5.06,52 3.874,53 3.93,54 5.889,55 3.865,56 0.08,57 0.869,58 10.575,59 4.339,60 7.738,61 5.836,62 0.383,63 1.38,64 21.274,65 7.454,66 28.197,67 10.247,68 0.515,69 1.612,70 29.666,71 10.18,72 44.845,73 14.436,74 0.406,75 1.613,76 31.431,77 10.03,78 44.224,79 15.242,80 0.558,81 1.51,82 32.027,83 9.084,84 56.553,85 13.893,86 0.429,87 1.356,88 25.781,89 8.282,90 37.057,91 12.02,92 0.303,93 1.378,94 24.87,95 8.64,96 30.999,97 12.469,98 0.55,99 1.362,100 28.392,101 8.449,102 56.935,103 12.153,104 2,105 47,106 0.267,107 0.636,108 0.798,109 0.828,110 0.84,111 0.84,112 3.441,113 0.902,114 -4.88,115 -4.78,116 -4.49,119 39.6,121 3,122 1,125 4,142 4,143 2,145 1,146 1,147 2,149 1,158 1,160 1,168 1,172 9,174 2,175 6,178 3,183 9,186 3,187 9,190 2,192 1,195 3,198 1,199 13,204 2,211 1,212 10,217 4,223 1,224 7,229 4,232 1,236 2,237 6,242 4,245 3,249 3,250 2,253 1,255 1,258 6,262 4,263 2,266 2,271 7,275 1574,276 20.878,277 20.878,278 20.878,279 20.878,280 20.878,281 18.804,282 16.871,283 12.48,284 21.399,285 16.84,286 16.84,287 16.84,288 16.84,289 16.84,290 13.682,291 21.826,292 5.982,293 17.657,294 4.112,295 1.88,296 0.896,297 0.717,298 0.642,299 0.642,300 4.155,304 1,305 1,306 821,307 2.55,310 86.079,311 341.964,315 133.429,318 1.998,319 26.584,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.5,331 367,332 4.434,333 3.672,334 6.57,335 4.066,336 3.126,337 4.089,338 1.959,339 10.472,340 2.951,341 4.253,342 3.115,343 6.18,344 3.869,345 2.897,346 3.868,347 0.86,348 9.168,349 2.808,350 4.001,351 2.899,352 6.051,353 3.653,354 2.684,355 3.466,356 0.815,357 8.754,358 2.598,359 3.54,360 2.7,361 5.366,362 3.503,363 2.517,364 2.852,365 0.163,366 7.009,367 2.483,368 3.525,369 2.628,370 5.192,371 3.134,372 2.13,373 2.634,375 6.262,376 2.125,377 3.349,378 2.335,379 5.018,380 2.997,381 2.078,382 2.544,384 5.949,385 1.907,386 3.225,387 2.022,388 4.6,389 2.832,390 1.873,391 2.341,393 4.883,394 1.787,395 2.869,396 1.903,397 4.265,398 2.388,399 1.505,400 2.028,402 3.866,403 1.359,404 2.574,405 1.461,406 3.892,407 2.376,408 1.408,409 1.582,411 3.234,412 1.319,413 2.5,414 1.255,415 3.61,416 2.017,417 1.1,418 1.5,420 2.818,421 1.004,422 2.397,423 1.2,424 3.414,425 2,426 1,427 1.377,428 2.275,429 1,430 2.323,431 1,432 3.281,433 1.969,434 1,435 1.24,436 2.136,437 0.963,438 2.118,439 0.892,440 3.247,441 1.785,442 0.848,443 1,445 2.027,446 0.793,447 2,448 0.851,449 3.123,450 1.553,451 0.618,452 0.927,454 1.372,455 0.577,456 1.618,457 0.634,458 3,459 1.501,460 0.553,461 0.581,463 1.334,464 0.521,465 13.967,466 0.466,467 0.585,468 0.019,469 39.5,470 1.317,471 18.5,472 0.617,473 21,474 0.7,475 24.805,476 0.827,477 32.233,478 0.608,479 28.174,480 0.939,481 7.498,482 0.25,483 7.261,484 0.242,485 0.024,487 0.315,493 0.8,494 1.432,495 0.74,496 1.152,497 0.571,498 0.965,499 0.991,500 1.085,501 0.925,502 1.003,503 0.666,504 0.965,505 0.917,506 1.008,507 0.978,508 1.027,509 0.946,510 1.028,511 0.741,512 1.138,513 0.918,514 1.063,515 0.637,516 1.021,517 1.054,518 0.871,519 0.965,520 0.803,521 0.995,522 0.846,523 1.055,524 0.992,525 1.052,526 0.969,527 1.14,528 1.002,529 0.804,530 1.122,531 0.946,532 1.14,533 0.901,534 1.077,535 1.259,536 0.947,537 1.08,538 1.001,539 1.54,540 1.012,541 5,542 0.075,543 3.111,544 1.153,545 1.401,546 0.972,547 0.633,548 0.305,549 0.32,550 0.214,551 13309,552 34797,553 2.207,554 43.4,555 1,556 12,558 2,559 2,561 6,564 1.728,565 2.143,566 3.582,567 0.276,568 1,569 1,573 85.648,574 1.616,575 3.848,576 4.832,577 5.011,578 5.086,579 5.086,580 3.086,581 4.215,582 4.874,583 3.752,584 1632.23,585 8.504,586 22891.7,588 1,590 1,591 303.58,592 1.075,593 4.87,594 0.147,595 0.003,596 0.066,597 0.025,598 0.033,599 0.025,600 0.017,601 0.008,602 0.009,603 0.007,604 0.341,605 0.17,606 0.88,607 0.327,608 155.013,609 -0.017,610 -0.198,611 0.071,612 -0.084,613 0.026,614 -0.006,615 0.002,616 0.039,617 -0.022,618 0.005,619 0.048,620 -0.017,621 0.009,622 -0.004,623 -0.027,624 -0.013,625 -0.003,626 -0.034,627 0.012,628 -0.166,629 0.048,630 -0.067,631 0.089,632 -0.011,633 -0.109,634 0.08,635 0.045,636 0.151,637 -0.021,638 0.136,639 -0.127,640 0.008,641 -0.091,642 0.029,643 -0.143,644 -0.015,645 0.001,646 -0.111,647 -0.008,648 -0.121,649 -0.017,650 -0.074,651 -0.078,652 0.016,653 -0.071,654 -0.044,655 -0.112,656 -0.055,657 1.715,658 5.137,659 0.9,660 33.729,661 1.008,662 1.136,663 3.646,664 13.294,665 0.661,666 3.555,667 3.871,668 4.159,669 4.431,670 4.663,671 4.762,672 4.942,673 5.081,674 5.252,675 5.352,676 7.192,677 0.638,678 405.51,679 3.555,680 5.094,681 5.948,682 6.821,683 7.689,684 8.568,685 9.443,686 10.325,687 11.205,688 12.09,689 13.2,695 1,696 1,697 1,699 4,704 6,705 4,706 1,709 6,711 17,726 1,731 53,733 18,734 1,735 34,737 57,738 21,739 12,740 2,741 4,746 5,747 6,755 2,756 1,758 3,761 13,762 8,763 1,766 1,771 1,775 1,778 1,781 23,782 8,783 2,784 9,790 7,794 0.8,795 2,802 1,811 1,812 4,816 1,826 1,839 1,840 4,848 30,854 7,855 1,856 1,858 1,859 1,867 1,870 3.8,873 1,874 1,877 14,878 9.417,879 6.528,880 3.301,881 3.061,882 1.376,883 1.01,884 5.433,885 11.199,886 3.795,887 4.347,888 4.904,889 5.476,890 5.965,891 6.308,892 6.779,893 7.181,894 7.594,895 7.96,896 1,897 46,898 11.095,900 4.784,901 7.667,902 21.44,904 18.005,905 2.167,906 65,910 247.193,911 97.387,912 104.818,914 36.145,917 97.387,918 283.338,919 104.818,921 39.011,922 37.905,923 140.03,924 40.291,925 4.656,926 223.651,928 247.193,929 202.205,930 36.145,933 178.894,934 95.772,935 11,937 76.096,938 56.761,939 67.02,941 247.193,942 140.962,943 97.387,946 247.193,947 41.816,948 58.695,949 34.674,950 103.164,951 247.193,952 140.962,953 97.387,955 0.577,956 0.337,957 0.186,958 0.099,959 24,960 9,961 0.088,962 5,963 1,964 1.074,965 4.313,966 272.784,967 0.074,968 27,969 139.207,974 19.164,975 8.505,976 4.234,978 124.299,979 11.144,980 17.597,981 2.722,984 4.557,986 34.674,987 485.543,988 43.5,993 12.137,997 -0.049,999 53.436,1000 60.229,1001 0.282,1002 0.672,1003 0.844,1004 0.875,1005 0.888,1006 0.888,1007 5.032,1008 1.505,1009 5.911,1010 4.883,1011 4.554,1012 5.034,1013 2.306,1014 6.698,1015 4.467,1016 6.201,1017 1.408,1018 7.447,1019 3.866,1020 4.007,1021 4.663,1022 1.668,1023 7.526,1024 3.909,1025 7.484,1026 1.1,1027 9.083,1028 3.234,1029 6.12,1030 7.134,1031 3.108,1032 10.629,1033 5.955,1034 8.801,1035 1,1036 10.78,1037 2.818,1038 6.431,1039 7.639,1040 3.135,1041 12.309,1042 6.244,1043 10.153,1044 1,1045 12.517,1046 2.275,1047 7.959,1048 9.531,1049 4.234,1050 14.9,1051 7.714,1052 11.528,1053 0.848,1054 14.28,1055 2.136,1056 8.675,1057 10.453,1058 4.573,1059 16.933,1060 8.392,1061 12.921,1062 0.618,1063 16.064,1064 2.027,1065 9.956,1066 12.092,1067 5.484,1068 19.347,1069 9.621,1070 3.126,1071 0.553,1072 17.862,1073 1.372,1074 10.873,1075 13.229,1076 5.975,1077 21.537,1078 10.49,1079 2.897,1080 10.472,1081 19.671,1082 1.334,1083 12.049,1084 14.745,1085 6.782,1086 23.888,1087 11.614,1088 2.684,1089 9.168,1090 21.489,1091 4.089,1092 13.065,1093 15.995,1094 7.353,1095 26.149,1096 12.576,1097 2.517,1098 8.754,1099 23.314,1100 3.868,1101 14.198,1102 17.45,1103 8.101,1104 28.48,1105 13.657,1106 2.13,1107 7.009,1108 25.145,1109 3.466,1110 15.264,1111 18.762,1112 8.717,1113 30.775,1114 14.665,1115 2.078,1116 6.262,1117 26.981,1118 2.852,1119 16.382,1120 20.185,1121 9.432,1122 33.102,1123 15.729,1124 1.873,1125 5.949,1126 28.821,1127 2.634,1128 17.473,1129 21.532,1130 10.073,1131 35.416,1132 16.761,1133 12169,1134 19864,1135 23.75,1136 35.04,1137 51.207,1138 51.968,1139 50.674,1140 50.616,1141 50.674,1142 64.053,1143 7.594,1144 143.118,1145 48.391,1146 5.434,1147 5.672,1148 6.372,1149 5.148,1150 5.126,1151 7.089,1152 3.43,1153 17.427,1154 4.951,1155 7.19,1156 1.506,1157 1.528,1158 1.49,1159 1.489,1160 1.49,1161 1.884,1162 0.223,1163 4.209,1164 1.423,1165 4.041,1166 4.086,1167 4.003,1168 3.933,1169 7.429,1170 3.942,1171 3.906,1172 3.965,1173 3.859,1174 3.748,1175 5.141,1176 3.756,1177 3.827,1178 3.879,1179 3.714,1180 3.652,1181 4.98,1182 3.67,1183 3.695,1184 3.757,1185 3.631,1186 3.454,1187 4.614,1188 3.496,1189 3.449,1190 3.508,1191 3.37,1192 3.253,1193 4.611,1194 3.273,1195 3.335,1196 3.389,1197 3.201,1198 3.108,1199 4.145,1200 3.118,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.023,1206 2.91,1207 2.929,1208 3.01,1209 2.813,1210 2.759,1211 3.857,1212 2.766,1213 0.13,1214 0.108,1215 0.193,1216 0.12,1217 0.092,1218 4.434,1219 0.12,1220 3.672,1221 0.058,1222 6.57,1223 0.308,1224 4.066,1225 0.087,1226 3.126,1227 4.089,1228 1.959,1229 10.472,1230 2.951,1231 1.957,1232 1.929,1233 2.065,1234 2.091,1235 1.446,1236 2.075,1237 1.851,1238 1.803,1239 2.029,1240 2.003,1241 1.145,1242 2.017,1243 1.744,1244 1.698,1245 1.86,1246 1.928,1247 1.07,1248 1.917,1249 1.435,1250 1.384,1251 1.632,1252 1.675,1253 0.825,1254 1.642,1255 1.298,1256 1.229,1257 1.513,1258 1.64,1259 0.82,1260 1.622,1261 1.286,1262 1.196,1263 1.508,1264 1.539,1265 0.628,1266 1.53,1267 1.153,1268 1.064,1269 1.482,1270 1.376,1271 0.387,1272 1.429,1273 1.12,1274 1.064,1275 1.21,1276 1.354,1277 0.351,1278 1.317,1279 4.234,1281 5.549,1282 2.398,1283 7.062,1284 4.443,1285 8.666,1286 6.293,1287 10.318,1295 5.926,1296 2.84,1297 5.452,1299 0.631,1300 2.044,1305 33.794,1306 85.648,1307 203.957,1308 256.07,1309 265.58,1310 269.58,1311 269.58,1312 43.065,1313 8.138,1314 108.92,1315 108.92,1316 29,1317 12.623,1318 4.248,1319 3.392,1320 41.622,1321 127,1322 126,1323 0.156,1324 204.449,1325 348.18,1326 490.615,1327 42790,1329 20.338,1330 0.678,1331 0.551,1332 20.338,1333 16.544,1334 14.759,1335 0.434,1336 0.301,1337 10.045,1338 14.058,1339 9.908,1340 8.132,1341 14.759,1342 10.223,1343 13.135,1344 0.279,1345 0.163,1346 13.135,1347 7.642,1348 11.325,1349 0.18,1350 0.09,1351 11.325,1352 5.648,1353 9.679,1354 0.117,1355 0.048,1356 9.679,1357 3.943,1358 7.757,1359 0.074,1360 0.026,1361 7.757,1362 2.719,1363 0.247,1364 93.386,1365 0.205,1366 28.579,1367 0.422,1368 162,1369 478.362,1370 180.387,1371 457.96,1372 632.66,1373 432,1374 191,1375 471.259,1376 210.5,1377 473.116,1378 694.24,1379 446,1380 6.279}
{0 CHEMBL2348865,1 1.637,2 12.207,3 1.811,4 3.279,5 105.535,6 7.83,7 0.515,8 4.052,9 4.176,10 3.672,11 3.544,12 5.152,13 3.555,14 4.609,15 4.78,16 4.033,17 3.96,18 5.688,19 3.942,20 4.833,21 5.054,22 4.01,23 4.068,24 5.813,25 4.005,26 4.853,27 5.095,28 3.922,29 4.02,30 5.867,31 3.939,32 4.816,33 5.081,34 3.828,35 3.92,36 5.758,37 3.849,38 4.63,39 4.854,40 3.812,41 3.845,42 5.623,43 3.798,44 4.606,45 4.804,46 3.842,47 3.823,48 5.741,49 3.792,50 4.625,51 4.846,52 3.743,53 3.73,54 5.811,55 3.685,56 0.091,57 0.831,58 9.582,59 4.012,60 7.962,61 5.278,62 0.438,63 1.317,64 19.431,65 7.066,66 29.036,67 9.462,68 0.426,69 1.493,70 26.933,71 9.419,72 37.075,73 13.232,74 0.484,75 1.475,76 28.442,77 9.06,78 55.854,79 13.429,80 0.516,81 1.363,82 29.101,83 8.149,84 49.288,85 12.296,86 0.414,87 1.208,88 22.275,89 6.887,90 32.388,91 9.876,92 0.371,93 1.2,94 20.614,95 6.574,96 40.906,97 9.007,98 0.664,99 1.128,100 22.786,101 6.426,102 66.778,103 9.01,104 2,105 46,106 0.273,107 0.645,108 0.79,109 0.822,110 0.836,111 0.836,112 3.408,113 0.889,114 -4.79,115 -4.7,116 -4.42,119 40,121 3,122 1,125 3,142 4,143 2,145 1,146 1,147 2,149 1,159 1,160 1,168 1,172 9,174 3,175 6,178 4,183 9,186 2,187 9,190 1,192 1,195 3,198 2,199 14,204 3,212 10,217 4,223 1,224 9,229 5,232 1,236 2,237 5,242 2,245 3,249 4,250 2,253 2,255 1,258 6,262 3,263 1,266 1,271 7,275 1397,276 20.223,277 20.223,278 20.223,279 20.223,280 20.223,281 18.174,282 16.196,283 12.021,284 20.76,285 16.324,286 16.324,287 16.324,288 16.324,289 16.324,290 13.196,291 20.898,292 5.736,293 17.157,294 4.007,295 1.783,296 0.91,297 0.72,298 0.64,299 0.64,300 4.122,304 1,305 1,306 795,307 2.55,310 152.392,311 260.661,314 119.865,318 2.036,319 26.518,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 63.5,331 354,332 4.488,333 3.783,334 6.737,335 4.142,336 3.206,337 4.112,338 1.701,339 10.997,340 3.003,341 4.269,342 2.975,343 6.191,344 3.884,345 2.908,346 3.884,347 0.86,348 9.202,349 2.835,350 4.033,351 2.838,352 6.069,353 3.67,354 2.703,355 3.501,356 0.563,357 8.813,358 2.612,359 3.563,360 2.654,361 5.469,362 3.5,363 2.513,364 2.899,365 0.075,366 7.021,367 2.481,368 3.487,369 2.592,370 5.322,371 3.082,372 2.125,373 2.628,375 6.58,376 2.026,377 3.32,378 2.206,379 4.781,380 2.831,381 1.882,382 2.503,384 5.122,385 1.784,386 2.998,387 1.987,388 4.587,389 2.646,390 1.699,391 2.117,393 4.756,394 1.593,395 2.859,396 1.903,397 4.249,398 2.383,399 1.5,400 2.008,402 3.787,403 1.344,404 2.549,405 1.457,406 3.759,407 2.358,408 1.386,409 1.548,411 3.209,412 1.314,413 2.5,414 1.203,415 3.56,416 2,417 1.008,418 1.5,420 2.501,421 1,422 2.327,423 1.2,424 3.414,425 1.969,426 1,427 1.251,428 2.275,429 0.963,430 2.241,431 1,432 3.28,433 1.937,434 1,435 1.176,436 2.136,437 0.93,438 2.118,439 0.865,440 3.247,441 1.783,442 0.844,443 1,445 2.023,446 0.79,447 2,448 0.618,449 3.073,450 1.553,451 0.618,452 0.927,454 1.372,455 0.577,456 1.558,457 0.606,458 3,459 1.355,460 0.419,461 0.462,463 1.043,464 0.391,465 13.467,466 0.464,467 0.568,468 0.02,469 39,470 1.345,471 18.5,472 0.638,473 20.5,474 0.707,475 22.92,476 0.79,477 30.933,478 0.619,479 27.35,480 0.943,481 7.367,482 0.254,483 6.909,484 0.238,485 0.025,487 0.327,493 0.805,494 1.427,495 0.719,496 1.137,497 0.573,498 0.943,499 0.883,500 1.014,501 0.895,502 0.981,503 0.634,504 0.956,505 0.888,506 1.055,507 0.922,508 1.054,509 0.813,510 1.014,511 0.829,512 1.108,513 0.976,514 1.059,515 0.864,516 1.045,517 1.106,518 0.876,519 0.947,520 0.786,521 1.076,522 0.816,523 1.116,524 1.007,525 0.986,526 0.911,527 1.194,528 0.917,529 1.298,530 1.164,531 1.117,532 1.138,533 1.699,534 1.101,535 1.303,536 0.882,537 1.166,538 0.944,539 1.849,540 1.019,541 4.5,542 0.091,543 3.333,544 1.542,545 0.917,546 1.073,547 0.692,548 0.254,549 0.244,550 0.194,551 12367,552 32761,553 2.215,554 42,555 1,556 10,558 2,559 2,561 6,564 1.718,565 2.148,566 3.573,567 0.296,568 1,569 1,573 81.864,574 1.637,575 3.861,576 4.734,577 4.924,578 5.004,579 5.004,580 3.069,581 4.375,582 4.825,583 3.746,584 1520.86,585 8.397,586 20840.4,588 1,590 1,591 282.193,592 1.091,593 4.82,594 0.136,595 0.004,596 0.072,597 0.035,598 0.024,599 0.03,600 0.019,601 0.007,602 0.008,603 0.008,604 0.343,605 0.17,606 0.88,607 0.335,608 148.478,609 -0.028,610 -0.205,611 0.07,612 -0.088,613 0.017,614 -0.007,615 0.099,616 0.105,617 -0.009,618 0.022,619 0.077,620 -0.019,621 -0.013,622 -0.07,623 0.027,624 -0.032,625 0.035,626 -0.007,627 0.009,628 -0.143,629 -0.002,630 -0.065,631 0.082,632 -0.041,633 -0.153,634 0.056,635 0.079,636 0.169,637 -0.084,638 0.176,639 -0.129,640 -0.003,641 -0.019,642 0.07,643 -0.132,644 0.054,645 -0.181,646 -0.118,647 -0.172,648 -0.169,649 -0.167,650 -0.167,651 0.027,652 0.102,653 -0.15,654 -0.016,655 -0.091,656 -0.099,657 1.829,658 5.421,659 0.897,660 32.202,661 1.011,662 1.136,663 3.561,664 12.681,665 0.666,666 3.526,667 3.85,668 4.159,669 4.431,670 4.625,671 4.736,672 4.927,673 5.081,674 5.193,675 5.328,676 7.137,677 0.645,678 391.48,679 3.526,680 5.069,681 5.932,682 6.81,683 7.688,684 8.572,685 9.456,686 10.346,687 11.235,688 12.128,689 14,696 2,697 1,699 4,704 6,705 4,706 1,709 6,711 17,731 50,733 18,734 1,735 33,737 54,738 20,739 12,740 2,741 4,746 5,747 6,751 1,755 2,756 1,758 3,761 13,762 7,763 1,766 1,771 1,775 1,778 1,781 21,782 8,783 2,784 9,790 7,794 0.8,795 2,802 1,811 2,812 3,815 1,839 1,840 4,848 29,854 6,855 1,856 1,858 1,859 1,867 1,870 4,873 1,874 1,877 13.5,878 8.917,879 6.306,880 3.126,881 3.072,882 1.38,883 1.017,884 4.963,885 11.153,886 3.773,887 4.334,888 4.912,889 5.488,890 5.963,891 6.311,892 6.794,893 7.205,894 7.575,895 7.971,896 1,897 44,898 10.718,900 4.649,901 7.69,902 20.624,904 17.343,905 2.19,906 63.5,910 223.651,911 94.853,912 104.818,914 36.145,917 94.853,918 259.796,919 104.818,921 40.029,922 37.905,923 135.325,924 37.166,925 8.932,926 200.109,928 223.651,929 199.67,930 36.145,933 155.352,934 95.772,935 11,937 77.115,938 53.208,939 67.02,941 223.651,942 140.962,943 94.853,946 223.651,947 39.282,948 58.695,949 34.674,950 103.164,951 223.651,952 140.962,953 94.853,955 0.58,956 0.344,957 0.188,958 0.095,959 24,960 9,961 0.093,962 5,963 1,964 1.077,965 4.249,966 260.802,967 0.077,968 26,969 132.881,974 18.226,975 7.897,976 3.736,978 124.299,979 11.036,980 17.394,981 2.712,984 4.312,986 34.674,987 459.466,988 42.5,993 12.421,997 -0.163,999 50.552,1000 56.813,1001 0.29,1002 0.684,1003 0.839,1004 0.872,1005 0.887,1006 0.887,1007 5.012,1008 1.5,1009 5.9,1010 4.756,1011 4.533,1012 5.021,1013 2.069,1014 6.706,1015 4.441,1016 6.187,1017 1.386,1018 7.449,1019 3.787,1020 4.007,1021 4.663,1022 1.305,1023 7.582,1024 3.896,1025 7.476,1026 1.008,1027 9.101,1028 3.209,1029 6.116,1030 7.136,1031 2.596,1032 10.697,1033 5.94,1034 8.802,1035 1,1036 10.815,1037 2.501,1038 6.479,1039 7.665,1040 2.473,1041 12.45,1042 6.269,1043 10.164,1044 1,1045 12.57,1046 2.275,1047 7.995,1048 9.552,1049 3.415,1050 15.054,1051 7.731,1052 11.551,1053 0.844,1054 14.353,1055 2.136,1056 8.766,1057 10.495,1058 3.608,1059 17.162,1060 8.453,1061 12.957,1062 0.618,1063 16.157,1064 2.023,1065 10.046,1066 12.13,1067 4.365,1068 19.603,1069 9.68,1070 3.206,1071 0.419,1072 17.975,1073 1.372,1074 11.01,1075 13.283,1076 4.717,1077 21.862,1078 10.585,1079 2.908,1080 10.997,1081 19.805,1082 1.043,1083 12.195,1084 14.797,1085 5.374,1086 24.252,1087 11.715,1088 2.703,1089 9.202,1090 21.644,1091 4.112,1092 13.25,1093 16.059,1094 5.808,1095 26.578,1096 12.706,1097 2.513,1098 8.813,1099 23.491,1100 3.884,1101 14.4,1102 17.514,1103 6.409,1104 28.956,1105 13.798,1106 2.125,1107 7.021,1108 25.345,1109 3.501,1110 15.499,1111 18.836,1112 6.887,1113 31.312,1114 14.83,1115 1.882,1116 6.58,1117 27.204,1118 2.899,1119 16.64,1120 20.261,1121 7.458,1122 33.691,1123 15.908,1124 1.699,1125 5.122,1126 29.068,1127 2.628,1128 17.762,1129 21.615,1130 7.96,1131 36.064,1132 16.962,1133 11275,1134 18538,1135 23.057,1136 33.279,1137 49.983,1138 50.874,1139 49.839,1140 49.551,1141 49.622,1142 63.031,1143 6.4,1144 141.674,1145 47.285,1146 5.488,1147 5.783,1148 6.539,1149 5.217,1150 5.206,1151 7.112,1152 2.972,1153 17.918,1154 5.003,1155 6.88,1156 1.515,1157 1.542,1158 1.51,1159 1.502,1160 1.504,1161 1.91,1162 0.194,1163 4.293,1164 1.433,1165 4.044,1166 4.088,1167 4.01,1168 3.934,1169 7.43,1170 3.943,1171 3.908,1172 3.966,1173 3.868,1174 3.746,1175 5.141,1176 3.757,1177 3.827,1178 3.879,1179 3.712,1180 3.65,1181 4.983,1182 3.67,1183 3.687,1184 3.75,1185 3.628,1186 3.442,1187 4.616,1188 3.487,1189 3.413,1190 3.475,1191 3.325,1192 3.21,1193 4.611,1194 3.225,1195 3.227,1196 3.277,1197 3.101,1198 2.998,1199 4.096,1200 3.017,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.014,1206 2.91,1207 2.854,1208 2.925,1209 2.764,1210 2.735,1211 3.845,1212 2.715,1213 0.136,1214 0.115,1215 0.204,1216 0.126,1217 0.097,1218 4.488,1219 0.125,1220 3.783,1221 0.052,1222 6.737,1223 0.333,1224 4.142,1225 0.091,1226 3.206,1227 4.112,1228 1.701,1229 10.997,1230 3.003,1231 1.947,1232 1.922,1233 2.057,1234 2.044,1235 1.443,1236 2.043,1237 1.841,1238 1.792,1239 2.027,1240 2.005,1241 1.135,1242 2.019,1243 1.654,1244 1.609,1245 1.743,1246 1.833,1247 0.992,1248 1.81,1249 1.44,1250 1.379,1251 1.654,1252 1.72,1253 0.825,1254 1.694,1255 1.298,1256 1.201,1257 1.513,1258 1.671,1259 0.716,1260 1.623,1261 1.187,1262 1.135,1263 1.482,1264 1.45,1265 0.442,1266 1.429,1267 1.153,1268 1.064,1269 1.294,1270 1.376,1271 0.354,1272 1.416,1273 1.091,1274 1.041,1275 1.232,1276 1.363,1277 0.305,1278 1.327,1279 4.205,1281 5.525,1282 3.045,1283 7.04,1284 5.352,1285 8.638,1286 7.413,1287 10.282,1295 5.276,1296 2.81,1297 5.421,1299 0.583,1300 1.698,1305 32.267,1306 81.864,1307 193.068,1308 236.683,1309 246.193,1310 250.193,1311 250.193,1312 40.776,1313 8.081,1314 114.37,1315 114.37,1316 28,1317 12.655,1318 4.248,1319 3.392,1320 39.709,1321 123,1322 120,1323 0.155,1324 194.856,1325 330.88,1326 467.209,1327 39519,1329 19.631,1330 0.677,1331 0.546,1332 19.631,1333 15.837,1334 14.276,1335 0.433,1336 0.296,1337 9.602,1338 13.583,1339 9.486,1340 7.787,1341 14.276,1342 9.776,1343 12.675,1344 0.276,1345 0.158,1346 12.675,1347 7.254,1348 11.227,1349 0.178,1350 0.086,1351 11.227,1352 5.436,1353 9.541,1354 0.115,1355 0.045,1356 9.541,1357 3.752,1358 7.384,1359 0.073,1360 0.025,1361 7.384,1362 2.489,1363 0.247,1364 90.45,1365 0.208,1366 27.844,1367 0.418,1368 158,1369 474.362,1370 176.886,1371 453.869,1372 629.82,1373 428,1374 188,1375 473.963,1376 207.916,1377 474.767,1378 700.32,1379 448,1380 5.86}
{0 CHEMBL239050,1 1.889,2 10.269,3 3.091,4 9.556,5 97.328,6 9.108,7 0.571,8 3.85,9 3.943,10 3.737,11 3.396,12 5.085,13 3.383,14 4.35,15 4.487,16 4.054,17 3.757,18 5.856,19 3.748,20 4.522,21 4.663,22 4.115,23 3.901,24 5.922,25 3.864,26 4.671,27 4.83,28 4.017,29 3.853,30 6.069,31 3.811,32 4.589,33 4.781,34 3.947,35 3.661,36 5.909,37 3.64,38 4.467,39 4.638,40 3.919,41 3.599,42 6.184,43 3.583,44 4.488,45 4.702,46 3.696,47 3.577,48 5.886,49 3.523,50 4.236,51 4.417,52 3.493,53 3.459,54 5.557,55 3.407,56 0.215,57 0.684,58 8.063,59 3.693,60 16.421,61 3.815,62 0.55,63 1.034,64 13.444,65 5.59,66 76.858,67 6.201,68 0.495,69 1.206,70 19.58,71 7.609,72 41.126,73 7.598,74 0.77,75 1.23,76 26.357,77 8.749,78 106.261,79 8.502,80 0.844,81 1.085,82 24.769,83 7.138,84 117.176,85 7.559,86 0.94,87 0.998,88 18.578,89 5.746,90 134.01,91 6.403,92 0.77,93 0.936,94 21.893,95 6.782,96 100.448,97 7.835,98 0.483,99 0.762,100 16.506,101 5.833,102 66.913,103 6.298,104 38,105 41,106 0.325,107 0.656,108 0.801,109 0.866,110 0.866,111 0.866,112 3.304,113 0.958,114 -3.44,115 -3.42,116 -3.27,119 39,120 1,124 1,142 6,143 1,144 2,145 1,151 1,152 1,155 1,161 1,166 3,172 5,174 5,175 5,183 5,186 3,187 13,195 3,198 2,199 12,211 4,212 10,223 9,224 6,236 4,237 3,250 8,262 1,263 5,271 4,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.286,282 10.915,283 9.631,284 17.274,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 9.723,291 8.46,292 4.479,293 14.397,294 3.469,295 1.55,296 0.708,297 0.33,298 0.33,299 0.33,300 3.976,303 1,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 42.893,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 58.5,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.531,342 3.775,343 6.526,344 3.992,345 3.061,346 4.484,348 10.265,349 2.85,350 4.235,351 3.08,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.684,359 3.765,360 2.648,361 5.731,362 3.308,363 2.327,364 3.234,366 7.143,367 2.279,368 3.504,369 2.291,370 5.134,371 3.017,372 2.046,373 2.875,375 6.019,376 1.983,377 3.047,378 1.934,379 4.694,380 2.576,381 1.619,382 2.319,384 4.396,385 1.539,386 3.011,387 1.899,388 4.19,389 2.5,390 1.545,391 2.111,393 3.739,394 1.472,395 2.914,396 1.546,397 3.917,398 2.234,399 1.236,400 2.012,402 3.045,403 1.234,404 2.678,405 1.354,406 3.769,407 2.161,408 1.196,409 1.744,411 2.846,412 1.151,413 2.585,414 1.106,415 3.587,416 2.047,417 1.063,418 1.585,420 2.705,421 1.044,422 2.154,423 1,424 3.245,425 1.647,426 0.701,427 0.986,428 1.614,429 0.662,430 1.824,431 0.89,432 3.011,433 1.188,434 0.255,435 0.378,436 0.586,437 0.237,438 1.251,439 0.513,440 2.745,441 0.879,442 -0.101,443 -0.13,445 -0.235,446 -0.099,447 1,448 0.402,449 2.312,450 0.257,451 -0.697,452 -0.851,454 -1.675,455 -0.662,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -1.158,463 -2,464 -0.777,465 12.167,466 0.468,467 0.869,468 0.033,469 38.5,470 1.481,471 21.5,472 0.827,473 17,474 0.654,475 17.276,476 0.664,477 28.033,478 0.684,479 31.08,480 1.195,481 7.67,482 0.295,483 4.633,484 0.178,485 0.192,486 0.068,487 0.304,493 0.367,494 1.37,495 0.737,496 1.266,497 0.577,498 0.952,499 0.574,500 1.096,501 0.698,502 0.852,503 0.484,504 0.78,505 0.868,506 1.18,507 1.242,508 1.262,509 0.678,510 1.047,511 1.383,512 1.196,513 1.429,514 1.327,515 1.381,516 1.194,517 1.305,518 1.018,519 1.044,520 0.996,521 1.434,522 0.955,523 0.806,524 0.95,525 1.007,526 0.935,527 0.725,528 0.996,529 1.116,530 0.749,531 0.962,532 0.779,533 1.131,534 0.884,535 1.202,536 0.957,537 1.091,538 0.997,539 1.198,540 0.998,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 27227,553 1.983,554 36.6,555 3,556 9,557 1,558 2,564 1.691,565 1.803,566 3.328,567 -0.608,568 1,569 1,573 77.447,574 1.889,575 3.808,576 4.65,577 5.028,578 5.028,579 5.028,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,587 1,588 1,590 1,591 219.66,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.33,606 1,607 0.85,608 126.848,609 0.244,610 -0.149,611 0.223,612 -0.123,613 -0.082,614 -0.04,615 0.231,616 0.02,617 0.182,618 0.132,619 0.242,620 0.127,621 -0.069,622 -0.048,623 -0.152,624 -0.126,625 0.06,626 -0.103,627 -0.282,628 -0.204,629 -0.292,630 -0.228,631 -0.208,632 -0.226,633 -0.149,634 -0.072,635 0.034,636 -0.019,637 -0.249,638 0.009,639 0.335,640 0.074,641 -0.016,642 -0.007,643 0.398,644 -0.103,645 -0.048,646 0.147,647 0.04,648 0.152,649 -0.039,650 0.127,651 -0.214,652 -0.047,653 -0.11,654 0.012,655 -0.142,656 0.028,657 4.948,658 5.718,659 0.577,660 20.982,661 1.032,662 1.13,663 2.208,664 4.877,665 0.69,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.678,678 373.43,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 8,705 1,709 4,711 16,725 1,731 41,733 21,734 1,735 28,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 15,782 7,784 10,785 1,787 1,790 5,794 0.667,795 4,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 26,852 1,859 1,870 9.8,873 2,876 2,877 14.417,878 8.083,879 5.611,880 2.178,881 3.791,882 1.539,883 0.979,884 4.766,885 10.828,886 3.738,887 4.428,888 5.006,889 5.565,890 6.046,891 6.374,892 6.656,893 6.942,894 6.904,895 7.237,896 0.857,897 43,898 9.901,900 4.601,901 8.24,902 17.484,904 14.169,905 2.74,906 71.25,909 1,910 176.567,911 118.994,912 41.801,914 95.06,916 5.807,917 113.186,918 271.626,919 41.801,920 22.892,922 71.712,923 95.403,924 35.886,925 14.528,926 141.253,927 50.747,928 176.567,929 154.988,930 95.06,931 5.807,933 176.567,934 44.313,935 50.747,937 38.933,938 84.551,939 37.31,941 176.567,942 136.861,943 118.994,945 5.807,946 176.567,947 11.965,948 109.574,950 128.508,951 176.567,952 136.861,953 118.994,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.116,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,973 1,974 18.05,975 6.865,976 3.48,977 0.703,978 129.904,979 12.503,980 4.191,984 0.531,987 432.421,988 41,990 -0.639,991 -4.031,993 47.286,995 1.365,996 3.97,999 42.313,1000 46.325,1001 0.353,1002 0.711,1003 0.868,1004 0.938,1005 0.938,1006 0.938,1007 4.984,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.115,1013 2.501,1014 6.739,1015 4.321,1016 6.263,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.105,1025 7.638,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.519,1031 4.154,1032 11.135,1033 5.917,1034 9.06,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.504,1040 4.506,1041 13.296,1042 6.497,1043 10.518,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.275,1049 5.948,1050 16.011,1051 7.858,1052 12.003,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.587,1058 6.556,1059 18.464,1060 8.765,1061 13.508,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.205,1067 7.794,1068 21.095,1069 9.976,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.65,1076 8.548,1077 23.65,1078 11.021,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.216,1085 9.67,1086 26.264,1087 12.184,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.717,1094 10.509,1095 28.857,1096 13.289,1097 2.327,1098 8.469,1099 24.702,1100 4.484,1101 15.369,1102 19.267,1103 11.563,1104 31.47,1105 14.442,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.793,1112 12.452,1113 34.077,1114 15.575,1115 1.619,1116 6.019,1117 28.717,1118 3.234,1119 17.835,1120 22.34,1121 13.468,1122 36.692,1123 16.729,1124 1.545,1125 4.396,1126 30.733,1127 2.875,1128 19.073,1129 23.879,1130 14.386,1131 39.306,1132 17.877,1133 7443,1134 14291,1135 17.8,1136 28.301,1137 43.274,1138 45.029,1139 44.82,1140 42.67,1141 42.682,1142 60.896,1143 5.225,1144 129.114,1145 40.778,1146 5.762,1147 6.741,1148 7.38,1149 5.529,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.422,1156 1.545,1157 1.608,1158 1.601,1159 1.524,1160 1.524,1161 2.175,1162 0.187,1163 4.611,1164 1.456,1165 4.142,1166 4.175,1167 4.742,1168 4.084,1169 7.815,1170 4.021,1171 4.077,1172 4.083,1173 4.076,1174 3.945,1175 7.715,1176 3.959,1177 3.788,1178 3.787,1179 3.881,1180 3.613,1181 6.999,1182 3.566,1183 3.497,1184 3.541,1185 3.442,1186 3.319,1187 6.999,1188 3.316,1189 3.406,1190 3.442,1191 3.361,1192 3.15,1193 5.076,1194 3.195,1195 3.155,1196 3.211,1197 3.079,1198 2.928,1199 4.65,1200 2.924,1201 3.006,1202 3.083,1203 2.817,1204 2.799,1205 4.58,1206 2.788,1207 2.972,1208 3.057,1209 2.8,1210 2.678,1211 4.297,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.111,1235 1.234,1236 2.108,1237 1.899,1238 1.856,1239 1.996,1240 2.059,1241 1.079,1242 2.041,1243 1.598,1244 1.585,1245 1.686,1246 1.852,1247 0.791,1248 1.829,1249 1.444,1250 1.425,1251 1.565,1252 1.697,1253 0.626,1254 1.648,1255 1.312,1256 1.258,1257 1.56,1258 1.582,1259 0.611,1260 1.589,1261 1.079,1262 1.016,1263 1.191,1264 1.327,1265 0.421,1266 1.376,1267 0.988,1268 0.918,1269 1.148,1270 1.25,1271 0.205,1272 1.259,1273 0.907,1274 0.84,1275 1.072,1276 1.212,1277 0.087,1278 1.21,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.839,1300 0.779,1305 27.787,1306 77.447,1307 156.111,1308 190.64,1309 206.15,1310 206.15,1311 206.15,1312 62.728,1313 7.037,1314 112.86,1315 121.24,1316 17,1317 12.557,1318 4.459,1319 3.807,1320 44.373,1321 96,1322 88,1323 0.226,1324 176.809,1325 300.49,1326 423.173,1327 10404,1329 18.897,1330 0.727,1331 0.569,1332 19.147,1333 14.79,1334 12.303,1335 0.439,1336 0.319,1337 7.478,1338 10.833,1339 7.144,1340 5.975,1341 13.091,1342 8.946,1343 11.747,1344 0.287,1345 0.181,1346 13.089,1347 7.421,1348 9.857,1349 0.183,1350 0.104,1351 11.243,1352 5.592,1353 7.415,1354 0.114,1355 0.055,1356 8.461,1357 3.573,1358 5.638,1359 0.074,1360 0.03,1361 6.475,1362 2.305,1363 0.353,1364 86.684,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 516.028,1370 197.254,1371 513.375,1372 684.31,1373 468,1374 164,1375 482.382,1376 231.432,1377 517.166,1378 747.82,1379 481,1380 6.066}
{0 CHEMBL239051,1 1.84,2 10.269,3 2.854,4 8.147,5 98.648,6 8.388,7 0.393,8 3.928,9 4.032,10 3.745,11 3.446,12 5.066,13 3.418,14 4.485,15 4.651,16 4.066,17 3.835,18 5.867,19 3.802,20 4.7,21 4.884,22 4.13,23 3.991,24 5.958,25 3.927,26 4.812,27 4.999,28 4.035,29 3.946,30 6.109,31 3.878,32 4.706,33 4.921,34 3.96,35 3.741,36 5.948,37 3.694,38 4.553,39 4.745,40 3.927,41 3.644,42 6.202,43 3.614,44 4.554,45 4.776,46 3.711,47 3.628,48 5.88,49 3.559,50 4.385,51 4.58,52 3.524,53 3.561,54 5.575,55 3.478,56 0.212,57 0.736,58 10.661,59 4.184,60 16.645,61 4.96,62 0.568,63 1.139,64 18.654,65 6.639,66 80.813,67 8.492,68 0.544,69 1.346,70 27.354,71 9.042,72 46.833,73 10.841,74 0.768,75 1.338,76 32.716,77 9.661,78 99.109,79 11.324,80 0.846,81 1.142,82 29.829,83 7.6,84 107.269,85 9.626,86 0.982,87 1.027,88 22.987,89 5.941,90 137.23,91 7.786,92 0.75,93 0.963,94 25.097,95 6.912,96 97.736,97 8.708,98 0.511,99 0.846,100 22.275,101 6.854,102 80.649,103 8.006,104 38,105 41,106 0.315,107 0.652,108 0.824,109 0.858,110 0.858,111 0.858,112 3.304,113 1.025,114 -3.59,115 -3.56,116 -3.39,119 35.6,120 1,121 3,124 1,125 1,142 3,143 1,144 2,145 1,152 1,155 1,161 1,166 3,172 5,174 5,175 5,183 5,186 3,187 13,195 3,198 2,199 12,211 4,212 10,223 9,224 6,236 4,237 3,250 8,262 1,263 5,271 4,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.821,282 17.465,283 9.631,284 17.274,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 10.425,291 12.815,292 4.479,293 14.397,294 3.652,295 1.681,296 0.673,297 0.478,298 0.478,299 0.478,300 3.976,303 1,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 43.473,321 1,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 58.5,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.42,342 3.775,343 6.526,344 3.992,345 3.061,346 4.099,348 10.265,349 2.85,350 4.235,351 3.199,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.684,359 3.763,360 2.656,361 5.731,362 3.308,363 2.327,364 3.233,366 7.143,367 2.279,368 3.397,369 2.346,370 5.134,371 3.017,372 2.046,373 2.609,375 6.019,376 1.983,377 2.934,378 2.02,379 4.694,380 2.576,381 1.619,382 2.024,384 4.396,385 1.539,386 2.905,387 1.903,388 4.19,389 2.5,390 1.545,391 1.972,393 3.739,394 1.472,395 2.756,396 1.665,397 3.917,398 2.234,399 1.236,400 1.816,402 3.045,403 1.234,404 2.64,405 1.398,406 3.769,407 2.161,408 1.196,409 1.647,411 2.846,412 1.151,413 2.345,414 1.128,415 3.587,416 2.047,417 1.063,418 1.323,420 2.705,421 1.044,422 2.036,423 1,424 3.245,425 1.647,426 0.701,427 0.859,428 1.614,429 0.662,430 1.649,431 0.91,432 3.011,433 1.188,434 0.255,435 0.342,436 0.586,437 0.237,438 1.251,439 0.556,440 2.745,441 0.879,442 -0.101,443 -0.129,445 -0.235,446 -0.099,447 1,448 0.404,449 2.312,450 0.257,451 -0.697,452 -0.755,454 -1.675,455 -0.662,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -0.923,463 -2,464 -0.777,465 12.167,466 0.468,467 0.869,468 0.033,469 34.5,470 1.327,471 17.5,472 0.673,473 17,474 0.654,475 20.656,476 0.794,477 29.233,478 0.65,479 27.7,480 1.065,481 6.509,482 0.25,483 5.794,484 0.223,485 0.192,486 0.068,487 0.304,493 0.361,494 1.465,495 0.764,496 1.335,497 0.549,498 1.038,499 0.544,500 1.133,501 0.708,502 0.902,503 0.435,504 0.853,505 0.8,506 1.138,507 1.125,508 1.181,509 0.597,510 1.013,511 1.286,512 1.199,513 1.322,514 1.286,515 1.259,516 1.171,517 1.232,518 1.026,519 0.986,520 0.98,521 1.34,522 0.939,523 0.826,524 0.94,525 0.968,526 0.892,527 0.713,528 0.937,529 1.156,530 0.802,531 1.059,532 0.856,533 1.138,534 0.899,535 1.264,536 1.016,537 1.298,538 1.151,539 1.292,540 1.049,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 24479,553 1.983,554 42.2,555 5,556 8,558 2,560 2,561 2,564 1.691,565 1.803,566 3.328,567 -0.608,568 1,569 1,573 82.813,574 1.84,575 3.81,576 4.819,577 5.014,578 5.014,579 5.014,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,588 1,590 1,591 247.133,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.33,606 1,607 0.85,608 126.848,609 0.251,610 -0.162,611 0.228,612 -0.113,613 -0.048,614 -0.035,615 0.242,616 0.003,617 0.191,618 0.114,619 0.262,620 0.115,621 -0.022,622 -0.015,623 -0.043,624 -0.055,625 0.093,626 -0.015,627 -0.223,628 -0.187,629 -0.22,630 -0.206,631 -0.147,632 -0.197,633 -0.101,634 -0.076,635 0.056,636 -0.027,637 -0.198,638 0.006,639 0.335,640 0.098,641 0.024,642 0.023,643 0.408,644 -0.048,645 -0.069,646 0.144,647 -0.041,648 0.094,649 -0.038,650 0.058,651 -0.237,652 -0.056,653 -0.206,654 -0.047,655 -0.175,656 -0.029,657 4.916,658 5.743,659 0.577,660 20.982,661 1.024,662 1.137,663 2.358,664 5.56,665 0.663,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.641,678 377.47,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 11.1,692 1,697 1,698 1,699 1,700 1,704 4,705 1,709 5,710 1,711 11,725 1,731 45,733 16,734 1,735 28,737 47,738 16,739 9,740 3,741 3,742 1,746 3,747 4,752 1,755 3,758 3,761 10,762 6,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 19,782 7,784 10,785 1,787 1,790 5,794 0.667,795 4,811 1,812 2,815 1,840 2,842 1,844 2,848 26,852 1,854 4,859 1,870 8.9,873 2,876 2,877 14.417,878 8.75,879 5.611,880 2.669,881 2.744,882 1.39,883 0.966,884 5.122,885 9.781,886 3.676,887 4.327,888 4.849,889 5.343,890 5.734,891 6.048,892 6.216,893 6.382,894 6.402,895 6.64,896 0.857,897 43,898 9.951,900 4.625,901 8.163,902 17.921,904 14.831,905 2.663,906 69.25,909 1,910 223.651,911 91.84,912 42.414,914 95.06,916 5.807,917 86.032,918 318.711,919 42.414,920 22.892,921 9.709,922 34.236,923 96.016,924 36.499,925 2.757,926 200.109,927 50.747,928 223.651,929 128.446,930 95.06,931 5.807,933 200.109,934 67.855,935 50.747,937 49.868,938 47.075,939 37.31,941 223.651,942 137.474,943 91.84,945 5.807,946 223.651,947 22.287,948 72.71,950 128.508,951 223.651,952 137.474,953 91.84,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.106,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,973 1,974 18.554,975 7.177,976 3.671,978 129.904,979 5.409,980 4.329,984 1.702,985 2.02,987 452.964,988 38.5,990 -0.625,991 -3.999,993 47.36,995 1.45,996 4.028,999 46.08,1000 51.156,1001 0.335,1002 0.694,1003 0.878,1004 0.913,1005 0.913,1006 0.913,1007 4.94,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.014,1013 2.501,1014 6.739,1015 4.321,1016 6.205,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.215,1022 2.361,1023 8.057,1024 4.105,1025 7.578,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.372,1031 4.154,1032 11.135,1033 5.917,1034 8.999,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.387,1040 4.506,1041 13.296,1042 6.497,1043 10.456,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.101,1049 5.948,1050 16.011,1051 7.858,1052 11.941,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.428,1058 6.556,1059 18.464,1060 8.765,1061 13.445,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.012,1067 7.794,1068 21.095,1069 9.976,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.462,1076 8.548,1077 23.65,1078 11.021,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.01,1085 9.67,1086 26.264,1087 12.184,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.513,1094 10.509,1095 28.857,1096 13.289,1097 2.327,1098 8.469,1099 24.702,1100 4.099,1101 15.369,1102 19.055,1103 11.563,1104 31.47,1105 14.442,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.583,1112 12.452,1113 34.077,1114 15.575,1115 1.619,1116 6.019,1117 28.717,1118 3.233,1119 17.835,1120 22.128,1121 13.468,1122 36.692,1123 16.729,1124 1.545,1125 4.396,1126 30.733,1127 2.609,1128 19.073,1129 23.671,1130 14.386,1131 39.306,1132 17.877,1133 7443,1134 13605,1135 17.8,1136 29.824,1137 43.08,1138 44.991,1139 44.82,1140 42.67,1141 42.682,1142 57.288,1143 5.225,1144 129.114,1145 40.778,1146 5.903,1147 6.741,1148 7.38,1149 5.529,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.422,1156 1.539,1157 1.607,1158 1.601,1159 1.524,1160 1.524,1161 2.046,1162 0.187,1163 4.611,1164 1.456,1165 4.123,1166 4.129,1167 4.742,1168 4.082,1169 7.815,1170 4.01,1171 4.016,1172 4.057,1173 3.975,1174 3.852,1175 7.715,1176 3.871,1177 3.786,1178 3.787,1179 3.881,1180 3.612,1181 6.999,1182 3.563,1183 3.512,1184 3.566,1185 3.441,1186 3.349,1187 6.999,1188 3.338,1189 3.451,1190 3.497,1191 3.36,1192 3.151,1193 4.948,1194 3.197,1195 3.172,1196 3.225,1197 3.099,1198 2.95,1199 4.645,1200 2.944,1201 3.073,1202 3.165,1203 2.861,1204 2.876,1205 4.531,1206 2.853,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.016,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.027,1234 2.11,1235 1.367,1236 2.108,1237 1.833,1238 1.773,1239 2.019,1240 2.018,1241 1.234,1242 2.021,1243 1.599,1244 1.585,1245 1.696,1246 1.854,1247 0.82,1248 1.833,1249 1.446,1250 1.424,1251 1.578,1252 1.701,1253 0.765,1254 1.654,1255 1.312,1256 1.258,1257 1.565,1258 1.589,1259 0.625,1260 1.597,1261 1.119,1262 1.052,1263 1.402,1264 1.346,1265 0.612,1266 1.38,1267 1.063,1268 0.985,1269 1.246,1270 1.319,1271 0.421,1272 1.348,1273 0.974,1274 0.876,1275 1.149,1276 1.25,1277 0.379,1278 1.269,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.888,1295 3.866,1300 0.821,1305 28.841,1306 82.813,1307 171.466,1308 216.869,1309 225.624,1310 225.624,1311 225.624,1312 65.799,1313 7.037,1314 113.38,1315 121.76,1316 17,1317 12.557,1318 4.087,1319 3.524,1320 44.373,1321 96,1322 88,1323 0.226,1324 182.663,1325 316.67,1326 437.458,1327 10404,1329 18.897,1330 0.727,1331 0.589,1332 19.147,1333 15.309,1334 12.303,1335 0.439,1336 0.342,1337 8.099,1338 10.833,1339 7.759,1340 6.456,1341 13.091,1342 9.568,1343 11.747,1344 0.287,1345 0.196,1346 13.089,1347 8.017,1348 9.857,1349 0.183,1350 0.114,1351 11.243,1352 6.148,1353 7.415,1354 0.114,1355 0.063,1356 8.461,1357 4.068,1358 5.638,1359 0.074,1360 0.036,1361 6.475,1362 2.738,1363 0.353,1364 86.684,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 496.028,1370 197.254,1371 491.317,1372 653.57,1373 448,1374 164,1375 458.03,1376 231.432,1377 490.924,1378 711.06,1379 457,1380 5}
{0 CHEMBL239052,1 1.889,2 10.269,3 3.113,4 9.691,5 97.479,6 9.108,7 0.571,8 3.85,9 3.943,10 3.737,11 3.396,12 5.086,13 3.383,14 4.35,15 4.487,16 4.051,17 3.762,18 5.854,19 3.753,20 4.519,21 4.656,22 4.114,23 3.906,24 5.922,25 3.867,26 4.671,27 4.829,28 4.02,29 3.848,30 6.068,31 3.807,32 4.59,33 4.786,34 3.946,35 3.651,36 5.913,37 3.633,38 4.447,39 4.616,40 3.915,41 3.574,42 6.202,43 3.571,44 4.44,45 4.644,46 3.696,47 3.572,48 5.812,49 3.515,50 4.295,51 4.488,52 3.498,53 3.471,54 5.621,55 3.418,56 0.215,57 0.684,58 8.063,59 3.693,60 16.532,61 3.815,62 0.555,63 1.033,64 13.516,65 5.59,66 76.414,67 6.179,68 0.477,69 1.201,70 19.355,71 7.761,72 42.754,73 7.799,74 0.764,75 1.231,76 26.285,77 8.748,78 103.334,79 8.525,80 0.858,81 1.083,82 25.173,83 7.063,84 121.366,85 7.497,86 0.937,87 0.978,88 16.946,89 5.278,90 145.276,91 5.92,92 0.696,93 0.922,94 21.045,95 6.645,96 72.29,97 7.5,98 0.558,99 0.782,100 18.481,101 6.17,102 82.62,103 6.711,104 38,105 41,106 0.325,107 0.656,108 0.801,109 0.866,110 0.866,111 0.866,112 3.304,113 0.958,114 -3.44,115 -3.42,116 -3.27,119 39,120 1,124 1,142 6,143 1,144 2,146 1,151 1,152 1,155 1,160 1,166 3,172 5,174 5,175 4,183 5,186 3,187 13,195 3,198 2,199 14,211 4,212 10,223 9,224 5,236 4,237 5,250 6,258 2,262 1,263 5,271 4,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.286,282 10.915,283 9.631,284 17.277,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 9.723,291 8.46,292 4.479,293 14.388,294 3.469,295 1.55,296 0.708,297 0.33,298 0.33,299 0.33,300 3.976,303 1,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 42.825,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 58.5,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.531,342 3.775,343 6.526,344 4.007,345 3.061,346 4.484,348 10.265,349 2.898,350 4.235,351 3.08,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.684,359 3.765,360 2.648,361 5.731,362 3.308,363 2.327,364 3.234,366 7.143,367 2.278,368 3.504,369 2.291,370 5.134,371 2.995,372 2.046,373 2.875,375 6.019,376 1.939,377 3.047,378 1.934,379 4.694,380 2.574,381 1.619,382 2.319,384 4.396,385 1.536,386 3.011,387 1.899,388 4.19,389 2.509,390 1.545,391 2.111,393 3.739,394 1.484,395 2.914,396 1.546,397 3.917,398 2.234,399 1.236,400 2.012,402 3.045,403 1.234,404 2.678,405 1.354,406 3.769,407 2.169,408 1.196,409 1.744,411 2.846,412 1.161,413 2.585,414 1.106,415 3.587,416 2.044,417 1.063,418 1.585,420 2.705,421 1.04,422 2.154,423 1,424 3.245,425 1.638,426 0.701,427 0.986,428 1.614,429 0.655,430 1.824,431 0.89,432 3.011,433 1.19,434 0.255,435 0.378,436 0.586,437 0.238,438 1.251,439 0.513,440 2.745,441 0.879,442 -0.101,443 -0.13,445 -0.235,446 -0.099,447 1,448 0.402,449 2.312,450 0.269,451 -0.697,452 -0.851,454 -1.675,455 -0.671,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -1.158,463 -2,464 -0.777,465 12.167,466 0.468,467 0.869,468 0.033,469 38.5,470 1.481,471 21.5,472 0.827,473 17,474 0.654,475 17.254,476 0.664,477 28.033,478 0.684,479 31.102,480 1.196,481 7.665,482 0.295,483 4.637,484 0.178,485 0.192,486 0.068,487 0.304,493 0.367,494 1.37,495 0.737,496 1.266,497 0.576,498 0.952,499 0.583,500 1.036,501 0.704,502 0.82,503 0.486,504 0.758,505 0.831,506 1.211,507 1.23,508 1.298,509 0.673,510 1.078,511 1.376,512 1.24,513 1.424,514 1.35,515 1.376,516 1.21,517 1.321,518 0.987,519 1.035,520 0.958,521 1.448,522 0.913,523 0.839,524 0.919,525 0.91,526 0.836,527 0.731,528 0.956,529 1.049,530 0.825,531 1.077,532 0.916,533 1.046,534 0.954,535 1.281,536 0.879,537 1.076,538 0.913,539 1.311,540 0.932,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 27169,553 1.983,554 36.6,555 3,556 9,557 1,558 2,564 1.691,565 1.803,566 3.328,567 -0.608,568 1,569 1,573 77.447,574 1.889,575 3.808,576 4.65,577 5.028,578 5.028,579 5.028,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,587 1,588 1,590 1,591 219.66,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.33,606 1,607 0.85,608 126.848,609 0.244,610 -0.149,611 0.223,612 -0.123,613 -0.081,614 -0.04,615 0.222,616 0.083,617 0.176,618 0.164,619 0.239,620 0.149,621 -0.045,622 -0.087,623 -0.144,624 -0.153,625 0.066,626 -0.124,627 -0.276,628 -0.249,629 -0.287,630 -0.251,631 -0.204,632 -0.243,633 -0.156,634 -0.04,635 0.051,636 0.015,637 -0.256,638 0.05,639 0.326,640 0.108,641 0.012,642 0.034,643 0.419,644 -0.089,645 -0.027,646 0.111,647 -0.03,648 0.069,649 -0.025,650 0.053,651 -0.235,652 -0.001,653 -0.07,654 0.087,655 -0.174,656 0.107,657 4.952,658 5.715,659 0.577,660 20.982,661 1.032,662 1.13,663 2.208,664 4.877,665 0.69,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.678,678 373.43,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 8,705 1,709 4,711 16,725 1,731 41,733 21,734 1,735 28,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 15,782 7,784 10,785 1,787 1,790 5,794 0.667,795 4,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 26,852 1,859 1,870 9.8,873 2,876 2,877 14.417,878 8.083,879 5.611,880 2.173,881 3.791,882 1.539,883 0.979,884 4.766,885 10.828,886 3.738,887 4.428,888 5.006,889 5.565,890 6.046,891 6.374,892 6.656,893 6.942,894 6.904,895 7.237,896 0.857,897 43,898 9.903,900 4.604,901 8.24,902 17.484,904 14.173,905 2.74,906 71.25,909 1,910 176.567,911 118.994,912 41.801,914 95.06,916 5.807,917 113.186,918 271.626,919 41.801,920 22.892,922 71.712,923 102.307,924 29.595,925 13.915,926 141.253,927 50.747,928 176.567,929 154.988,930 95.06,931 5.807,933 176.567,934 44.313,935 50.747,937 39.546,938 83.938,939 37.31,941 176.567,942 136.861,943 118.994,945 5.807,946 176.567,947 12.394,948 109.145,950 128.508,951 176.567,952 136.861,953 118.994,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.116,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,973 1,974 18.05,975 6.865,976 3.48,977 0.772,978 129.904,979 12.595,980 4.18,984 0.432,987 432.421,988 41,990 -0.64,991 -4.036,993 47.277,995 1.333,996 3.955,999 42.313,1000 46.325,1001 0.353,1002 0.711,1003 0.868,1004 0.938,1005 0.938,1006 0.938,1007 4.984,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.115,1013 2.501,1014 6.739,1015 4.324,1016 6.263,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.114,1025 7.638,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.519,1031 4.154,1032 11.135,1033 5.928,1034 9.06,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.504,1040 4.506,1041 13.296,1042 6.515,1043 10.518,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.275,1049 5.948,1050 16.011,1051 7.878,1052 12.003,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.587,1058 6.556,1059 18.464,1060 8.791,1061 13.508,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.205,1067 7.794,1068 21.095,1069 10.004,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.65,1076 8.548,1077 23.65,1078 11.052,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.216,1085 9.67,1086 26.264,1087 12.216,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.717,1094 10.509,1095 28.857,1096 13.322,1097 2.327,1098 8.469,1099 24.702,1100 4.484,1101 15.369,1102 19.267,1103 11.563,1104 31.47,1105 14.475,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.793,1112 12.452,1113 34.077,1114 15.609,1115 1.619,1116 6.019,1117 28.717,1118 3.234,1119 17.835,1120 22.34,1121 13.468,1122 36.692,1123 16.762,1124 1.545,1125 4.396,1126 30.733,1127 2.875,1128 19.073,1129 23.879,1130 14.386,1131 39.306,1132 17.91,1133 7443,1134 14277,1135 17.8,1136 28.301,1137 43.274,1138 45.029,1139 44.82,1140 42.666,1141 42.682,1142 60.896,1143 5.225,1144 129.114,1145 40.803,1146 5.762,1147 6.741,1148 7.38,1149 5.53,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.422,1156 1.545,1157 1.608,1158 1.601,1159 1.524,1160 1.524,1161 2.175,1162 0.187,1163 4.611,1164 1.457,1165 4.142,1166 4.174,1167 4.742,1168 4.084,1169 7.815,1170 4.023,1171 4.078,1172 4.084,1173 4.076,1174 3.957,1175 7.715,1176 3.966,1177 3.788,1178 3.788,1179 3.881,1180 3.612,1181 6.999,1182 3.565,1183 3.495,1184 3.54,1185 3.442,1186 3.275,1187 6.999,1188 3.281,1189 3.389,1190 3.428,1191 3.351,1192 3.15,1193 5.071,1194 3.192,1195 3.171,1196 3.224,1197 3.096,1198 2.945,1199 4.649,1200 2.948,1201 3.017,1202 3.104,1203 2.839,1204 2.828,1205 4.585,1206 2.813,1207 3.003,1208 3.081,1209 2.8,1210 2.678,1211 4.315,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.914,1238 1.876,1239 2.011,1240 2.059,1241 1.109,1242 2.046,1243 1.588,1244 1.58,1245 1.67,1246 1.856,1247 0.787,1248 1.83,1249 1.405,1250 1.374,1251 1.565,1252 1.695,1253 0.612,1254 1.64,1255 1.31,1256 1.256,1257 1.513,1258 1.571,1259 0.527,1260 1.569,1261 1.096,1262 1.034,1263 1.278,1264 1.33,1265 0.421,1266 1.377,1267 1.046,1268 0.969,1269 1.149,1270 1.276,1271 0.317,1272 1.289,1273 0.907,1274 0.84,1275 1.082,1276 1.25,1277 0.105,1278 1.259,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.833,1300 0.771,1305 27.787,1306 77.447,1307 156.111,1308 190.64,1309 206.15,1310 206.15,1311 206.15,1312 62.989,1313 7.037,1314 112.86,1315 121.24,1316 17,1317 12.557,1318 4.459,1319 3.807,1320 44.373,1321 96,1322 88,1323 0.226,1324 176.809,1325 300.49,1326 423.173,1327 10404,1329 18.897,1330 0.727,1331 0.569,1332 19.147,1333 14.79,1334 12.303,1335 0.439,1336 0.319,1337 7.472,1338 10.832,1339 7.137,1340 5.972,1341 13.091,1342 8.941,1343 11.747,1344 0.287,1345 0.181,1346 13.089,1347 7.432,1348 9.857,1349 0.183,1350 0.104,1351 11.243,1352 5.61,1353 7.415,1354 0.114,1355 0.055,1356 8.461,1357 3.585,1358 5.638,1359 0.074,1360 0.03,1361 6.475,1362 2.303,1363 0.353,1364 86.721,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 516.028,1370 196.921,1371 513.576,1372 683.87,1373 468,1374 164,1375 481.03,1376 231.265,1377 516.671,1378 746.37,1379 480,1380 5}
{0 CHEMBL239475,1 1.8,2 10.333,3 3.997,4 15.974,5 104.966,6 8.588,7 0.552,8 3.922,9 4.018,10 3.758,11 3.488,12 5.113,13 3.457,14 4.436,15 4.585,16 4.079,17 3.868,18 5.873,19 3.839,20 4.612,21 4.748,22 4.165,23 4.03,24 5.958,25 3.974,26 4.8,27 4.969,28 4.081,29 4.003,30 6.123,31 3.937,32 4.737,33 4.941,34 3.996,35 3.84,36 5.995,37 3.778,38 4.628,39 4.83,40 3.943,41 3.735,42 6.227,43 3.684,44 4.571,45 4.792,46 3.783,47 3.696,48 5.872,49 3.621,50 4.393,51 4.56,52 3.617,53 3.667,54 5.701,55 3.581,56 0.203,57 0.712,58 9.92,59 4.263,60 11.571,61 4.739,62 0.525,63 1.094,64 16.797,65 6.546,66 72.331,67 7.758,68 0.377,69 1.303,70 22.134,71 8.99,72 31.855,73 9.731,74 0.664,75 1.409,76 30.683,77 10.307,78 89.034,79 11.099,80 0.788,81 1.278,82 28.891,83 8.909,84 101.924,85 10.19,86 0.913,87 1.16,88 24.632,89 7.416,90 142.407,91 9.143,92 0.734,93 1.051,94 24.892,95 7.606,96 78.71,97 8.985,98 0.417,99 0.9,100 21.896,101 7.813,102 57.956,103 8.372,104 51,105 43,106 0.305,107 0.619,108 0.757,109 0.853,110 0.861,111 0.861,112 3.34,113 0.98,114 -4.24,115 -4.18,116 -3.95,119 40,120 1,124 2,142 7,143 3,144 2,151 1,152 1,155 1,166 3,172 8,174 4,175 6,183 9,186 2,187 15,195 7,198 1,199 14,207 1,211 4,212 13,223 7,224 8,232 2,236 4,237 3,245 4,250 7,258 5,263 7,271 7,275 1072,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 14.741,282 14.077,283 9.845,284 17.711,285 14.22,286 14.22,287 14.22,288 14.22,289 14.22,290 10.12,291 10.96,292 4.576,293 14.755,294 3.691,295 1.838,296 1.02,297 0.45,298 0.406,299 0.406,300 4.011,303 1,304 1,305 1,306 589,307 4.183,310 63.678,311 173.693,314 119.019,318 1.506,319 41.182,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60,331 279,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.255,341 4.63,342 3.775,343 6.717,344 4.146,345 3.172,346 4.602,348 10.906,349 3.089,350 4.235,351 3.205,352 6.051,353 3.731,354 2.756,355 3.917,357 8.47,358 2.685,359 3.766,360 2.656,361 5.732,362 3.31,363 2.331,364 3.235,366 7.151,367 2.28,368 3.552,369 2.34,370 5.46,371 3.093,372 2.125,373 2.926,375 6.652,376 2.056,377 3.325,378 2.042,379 4.801,380 2.842,381 1.878,382 2.678,384 5.099,385 1.803,386 3.014,387 1.907,388 4.678,389 2.578,390 1.619,391 2.113,393 4.364,394 1.542,395 2.914,396 1.88,397 3.936,398 2.235,399 1.237,400 2.012,402 3.055,403 1.234,404 2.696,405 1.358,406 3.776,407 2.215,408 1.225,409 1.779,411 2.847,412 1.21,413 2.63,414 1.184,415 3.619,416 2.083,417 1.096,418 1.649,420 2.766,421 1.08,422 2.355,423 1.001,424 3.577,425 1.926,426 0.943,427 1.288,428 2.344,429 0.926,430 1.891,431 1,432 3.114,433 1.269,434 0.333,435 0.481,436 0.768,437 0.311,438 1.251,439 0.739,440 2.77,441 0.88,442 -0.101,443 -0.129,445 -0.234,446 -0.098,447 1,448 0.411,449 2.431,450 0.392,451 -0.571,452 -0.715,454 -1.346,455 -0.545,456 1,457 -0.18,458 2.312,459 0.262,460 -0.701,461 -0.854,463 -1.82,464 -0.674,465 12.767,466 0.473,467 0.959,468 0.036,469 38.5,470 1.426,471 21.5,472 0.796,473 17,474 0.63,475 19.489,476 0.722,477 29.233,478 0.65,479 32.193,480 1.192,481 7.68,482 0.284,483 5.033,484 0.186,485 0.222,486 0.065,487 0.329,493 0.332,494 1.287,495 0.758,496 1.231,497 0.569,498 0.964,499 0.572,500 0.943,501 0.691,502 0.761,503 0.46,504 0.713,505 0.785,506 1.288,507 1.192,508 1.314,509 0.649,510 1.113,511 1.3,512 1.264,513 1.344,514 1.306,515 1.274,516 1.19,517 1.21,518 1.037,519 1.033,520 1.005,521 1.313,522 1.014,523 0.794,524 0.97,525 0.928,526 0.919,527 0.673,528 0.954,529 1.15,530 0.661,531 0.987,532 0.718,533 1.134,534 0.798,535 1.189,536 1.034,537 1.41,538 1.302,539 1.214,540 1.135,541 7,542 0.143,543 4.889,544 3.076,545 1.573,546 1.268,547 0.691,548 0.482,549 0.277,550 0.24,551 8248,552 27412,553 1.963,554 40,555 3,556 13,557 1,558 1,564 1.702,565 1.77,566 3.335,567 -0.659,569 1,573 81.016,574 1.8,575 3.654,576 4.471,577 5.042,578 5.086,579 5.086,580 2.732,581 4.533,582 4.731,583 3.507,584 1231.06,585 8.213,586 15712.2,588 1,590 1,591 247.133,592 1.74,593 4.637,594 0.241,595 0.007,596 0.114,597 0.067,598 0.039,599 0.037,600 0.021,601 0.017,602 0.01,603 0.01,604 0.563,605 0.17,606 1,607 0.857,608 133.302,609 0.273,610 -0.073,611 0.223,612 -0.086,613 -0.08,614 -0.02,615 0.231,616 0.173,617 0.208,618 0.231,619 0.255,620 0.221,621 -0.017,622 -0.16,623 -0.126,624 -0.179,625 0.07,626 -0.148,627 -0.225,628 -0.257,629 -0.244,630 -0.236,631 -0.155,632 -0.226,633 -0.093,634 -0.062,635 -0.002,636 -0.048,637 -0.2,638 -0.061,639 0.305,640 0.037,641 0.071,642 0.002,643 0.383,644 -0.021,645 -0.05,646 0.3,647 0.053,648 0.236,649 -0.049,650 0.175,651 -0.191,652 -0.076,653 -0.269,654 -0.15,655 -0.106,656 -0.105,657 4.935,658 5.802,659 0.556,660 21.841,661 1.022,662 1.126,663 3.008,664 9.05,665 0.685,666 3.401,667 3.784,668 4.06,669 4.263,670 4.431,671 4.443,672 4.443,673 4.466,674 4.369,675 4.357,676 6.268,677 0.663,678 386.47,679 3.401,680 4.977,681 5.844,682 6.744,683 7.632,684 8.534,685 9.427,686 10.33,687 11.225,688 12.128,689 8.9,692 1,697 1,698 1,700 1,703 2,704 8,709 4,710 1,711 16,725 1,731 45,733 21,734 2,735 29,737 47,738 18,739 14,740 5,741 7,742 1,746 3,747 4,752 1,761 15,762 3,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 18,782 6,784 9,785 1,790 4,794 0.667,795 4,807 1,811 1,812 2,815 1,840 2,842 1,844 3,848 27,852 1,859 1,870 8.9,873 2,876 2,877 15.25,878 9.133,879 5.806,880 2.419,881 3.787,882 1.531,883 0.978,884 5.048,885 10.915,886 3.761,887 4.463,888 5.051,889 5.624,890 6.122,891 6.443,892 6.732,893 7.023,894 7.037,895 7.294,896 0.857,897 46,898 10.288,900 4.752,901 8.164,902 18.388,904 15.013,905 2.664,906 71.917,909 1,910 211.88,911 131.25,912 25.628,914 95.06,916 5.807,917 125.442,918 306.94,919 25.628,920 31.288,922 81.189,923 65.131,924 33.21,925 13.915,926 188.338,927 50.747,928 211.88,929 151.07,930 95.06,931 5.807,933 211.88,934 44.313,935 50.747,937 28.783,938 107.57,939 20.525,941 211.88,942 120.688,943 131.25,945 5.807,946 211.88,947 15.396,948 119.012,950 111.723,951 211.88,952 120.688,953 131.25,955 0.604,956 0.362,957 0.179,958 0.094,959 21,960 11,961 0.106,962 5,963 1,964 1.133,965 3.693,966 230.742,967 0.133,968 15,969 120.382,973 1,974 19.084,975 7.141,976 3.589,977 1.945,978 113.119,979 13.288,984 0.749,985 1.926,987 463.818,988 42,990 -0.627,991 -4.018,993 47.532,995 1.465,996 4.059,999 45.978,1000 50.657,1001 0.328,1002 0.665,1003 0.814,1004 0.918,1005 0.926,1006 0.926,1007 5.017,1008 1.237,1009 5.9,1010 4.364,1011 4.466,1012 5.15,1013 2.501,1014 6.808,1015 4.39,1016 6.304,1017 1.225,1018 7.543,1019 3.055,1020 4.369,1021 5.352,1022 2.361,1023 8.124,1024 4.216,1025 7.685,1026 1.096,1027 9.302,1028 2.847,1029 6.205,1030 7.565,1031 4.154,1032 11.211,1033 6.026,1034 9.111,1035 0.943,1036 11.133,1037 2.766,1038 6.909,1039 8.567,1040 4.506,1041 13.361,1042 6.635,1043 10.572,1044 0.333,1045 13.01,1046 2.344,1047 8.315,1048 10.333,1049 5.948,1050 16.078,1051 8.006,1052 12.059,1053 -0.101,1054 14.92,1055 0.768,1056 9.34,1057 11.658,1058 6.556,1059 18.523,1060 8.935,1061 13.567,1062 -0.571,1063 16.856,1064 -0.234,1065 10.615,1066 13.277,1067 7.794,1068 21.15,1069 10.158,1070 3.535,1071 -0.701,1072 18.811,1073 -1.346,1074 11.767,1075 14.733,1076 8.548,1077 23.698,1078 11.22,1079 3.172,1080 13.729,1081 20.781,1082 -1.82,1083 13.007,1084 16.302,1085 9.67,1086 26.307,1087 12.394,1088 2.756,1089 10.906,1090 22.763,1091 4.803,1092 14.21,1093 17.812,1094 10.509,1095 28.893,1096 13.51,1097 2.331,1098 8.47,1099 24.756,1100 4.602,1101 15.444,1102 19.366,1103 11.563,1104 31.501,1105 14.67,1106 2.125,1107 7.151,1108 26.756,1109 3.917,1110 16.669,1111 20.899,1112 12.452,1113 34.104,1114 15.81,1115 1.878,1116 6.652,1117 28.764,1118 3.235,1119 17.907,1120 22.45,1121 13.468,1122 36.715,1123 16.967,1124 1.619,1125 5.099,1126 30.776,1127 2.926,1128 19.143,1129 23.993,1130 14.386,1131 39.325,1132 18.119,1133 8131,1134 15042,1135 18.205,1136 30.818,1137 45.178,1138 47.084,1139 47.148,1140 44.528,1141 44.503,1142 62.966,1143 5.225,1144 136.304,1145 42.945,1146 5.762,1147 6.741,1148 7.377,1149 5.525,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.255,1155 17.213,1156 1.558,1157 1.624,1158 1.626,1159 1.535,1160 1.535,1161 2.171,1162 0.18,1163 4.7,1164 1.481,1165 4.157,1166 4.182,1167 4.742,1168 4.095,1169 7.815,1170 4.068,1171 4.086,1172 4.084,1173 4.096,1174 4.032,1175 7.715,1176 3.992,1177 3.788,1178 3.788,1179 3.881,1180 3.613,1181 6.999,1182 3.566,1183 3.501,1184 3.548,1185 3.442,1186 3.353,1187 6.999,1188 3.349,1189 3.456,1190 3.51,1191 3.381,1192 3.153,1193 4.962,1194 3.201,1195 3.267,1196 3.314,1197 3.205,1198 3.062,1199 4.648,1200 3.063,1201 3.081,1202 3.165,1203 2.893,1204 2.873,1205 4.577,1206 2.849,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.268,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.255,1231 1.992,1232 1.997,1233 2.033,1234 2.11,1235 1.234,1236 2.108,1237 1.938,1238 1.915,1239 2.019,1240 2.025,1241 1.164,1242 2.028,1243 1.646,1244 1.608,1245 1.787,1246 1.877,1247 0.876,1248 1.856,1249 1.523,1250 1.514,1251 1.643,1252 1.771,1253 0.774,1254 1.757,1255 1.319,1256 1.264,1257 1.565,1258 1.655,1259 0.612,1260 1.624,1261 1.219,1262 1.162,1263 1.465,1264 1.403,1265 0.533,1266 1.434,1267 1.067,1268 0.993,1269 1.151,1270 1.319,1271 0.421,1272 1.37,1273 0.907,1274 0.84,1275 1.135,1276 1.25,1277 0.2,1278 1.259,1279 4.078,1281 5.442,1282 2.398,1283 7,1284 4.844,1285 8.643,1286 7.018,1287 10.331,1289 4.778,1300 0.82,1305 29.82,1306 81.016,1307 164.423,1308 201.217,1309 226.869,1310 228.869,1311 228.869,1312 67.497,1313 7.128,1314 100.49,1315 108.87,1316 17,1317 12.649,1318 4.459,1319 3.807,1320 47.004,1321 102,1322 86,1323 0.226,1324 189.199,1325 324.09,1326 453.405,1327 11507,1329 19.767,1330 0.732,1331 0.587,1332 20.017,1333 15.843,1334 12.713,1335 0.438,1336 0.327,1337 8.017,1338 11.3,1339 7.599,1340 6.382,1341 13.502,1342 9.476,1343 12.286,1344 0.286,1345 0.187,1346 13.628,1347 8.022,1348 10.261,1349 0.18,1350 0.107,1351 11.647,1352 6.081,1353 7.838,1354 0.112,1355 0.057,1356 8.884,1357 4.005,1358 6.07,1359 0.073,1360 0.032,1361 6.907,1362 2.621,1363 0.353,1364 88.816,1365 0.234,1366 25.741,1367 0.625,1368 144,1369 504.383,1370 200.812,1371 505.051,1372 673.7,1373 460,1374 172,1375 472.861,1376 237.045,1377 512.137,1378 739.62,1379 475,1380 5}
{0 CHEMBL240118,1 1.82,2 11.037,3 3.684,4 13.57,5 102.904,6 8.941,7 0.586,8 3.881,9 3.968,10 3.751,11 3.477,12 5.11,13 3.448,14 4.374,15 4.504,16 4.059,17 3.838,18 5.869,19 3.811,20 4.575,21 4.71,22 4.148,23 3.985,24 5.963,25 3.935,26 4.72,27 4.888,28 4.032,29 3.908,30 6.09,31 3.856,32 4.622,33 4.811,34 3.973,35 3.762,36 5.932,37 3.723,38 4.507,39 4.671,40 3.886,41 3.667,42 6.207,43 3.633,44 4.525,45 4.759,46 3.653,47 3.581,48 5.871,49 3.515,50 4.199,51 4.369,52 3.554,53 3.513,54 5.495,55 3.45,56 0.2,57 0.675,58 8.593,59 4.046,60 14.958,61 4.226,62 0.492,63 1.028,64 13.973,65 6.218,66 76.071,67 6.932,68 0.405,69 1.258,70 20.385,71 8.47,72 38.467,73 8.676,74 0.712,75 1.313,76 28.478,77 9.455,78 105.554,79 9.316,80 0.781,81 1.165,82 25.131,83 8.027,84 111.342,85 8.263,86 0.824,87 1.059,88 19.782,89 6.791,90 132.45,91 7.558,92 0.779,93 0.997,94 23.303,95 7.109,96 112.367,97 8.448,98 0.368,99 0.766,100 14.576,101 5.774,102 54.15,103 6.157,104 38,105 42,106 0.31,107 0.62,108 0.768,109 0.863,110 0.871,111 0.871,112 3.34,113 0.968,114 -4.17,115 -4.11,116 -3.89,119 41.9,120 1,124 1,142 8,143 3,144 2,145 1,146 1,155 1,166 3,172 9,174 4,175 6,183 10,186 2,187 16,195 8,198 1,199 14,207 3,211 4,212 12,220 1,223 7,224 8,232 2,236 4,237 5,245 4,250 6,258 5,263 9,271 5,275 1106,276 17.548,277 17.548,278 17.548,279 17.548,280 17.548,281 14.831,282 10.915,283 10.072,284 17.822,285 14.242,286 14.242,287 14.242,288 14.242,289 14.242,290 10.068,291 8.46,292 4.721,293 14.71,294 3.606,295 1.784,296 0.919,297 0.361,298 0.314,299 0.314,300 4.015,303 1,304 1,305 1,306 631,307 4.123,311 254.023,315 133.345,318 1.597,319 43.232,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 298,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.409,342 3.775,343 6.183,344 3.907,345 2.923,346 4.34,348 9.226,349 2.876,350 4.236,351 2.936,352 6.051,353 3.731,354 2.756,355 3.917,357 8.47,358 2.686,359 3.783,360 2.663,361 5.732,362 3.336,363 2.356,364 3.245,366 7.158,367 2.305,368 3.697,369 2.418,370 5.26,371 3.246,372 2.255,373 3.147,375 6.666,376 2.233,377 3.118,378 2.035,379 4.69,380 2.591,381 1.632,382 2.427,384 4.43,385 1.566,386 3.036,387 1.903,388 4.414,389 2.584,390 1.618,391 2.18,393 4.315,394 1.548,395 2.915,396 1.618,397 3.923,398 2.399,399 1.404,400 2.021,402 3.065,403 1.396,404 2.861,405 1.442,406 3.77,407 2.234,408 1.235,409 1.973,411 2.98,412 1.233,413 2.64,414 1.246,415 3.618,416 2.077,417 1.086,418 1.65,420 2.797,421 1.074,422 2.204,423 1,424 3.245,425 1.687,426 0.729,427 1.058,428 1.678,429 0.696,430 1.95,431 0.904,432 3.114,433 1.358,434 0.412,435 0.591,436 0.96,437 0.388,438 1.251,439 0.654,440 2.792,441 0.881,442 -0.1,443 -0.128,445 -0.232,446 -0.097,447 1.049,448 0.413,449 2.464,450 0.558,451 -0.409,452 -0.552,454 -0.967,455 -0.395,456 1,457 -0.18,458 2.312,459 0.361,460 -0.618,461 -0.927,463 -1.597,464 -0.603,465 12.767,466 0.473,467 0.886,468 0.033,469 40.25,470 1.491,471 23.5,472 0.87,473 16.75,474 0.62,475 18.012,476 0.667,477 28.633,478 0.666,479 32.633,480 1.209,481 7.995,482 0.296,483 4.791,484 0.177,485 0.183,486 0.065,487 0.298,493 0.312,494 1.175,495 0.744,496 1.186,497 0.577,498 0.917,499 0.528,500 1.018,501 0.709,502 0.847,503 0.485,504 0.796,505 0.807,506 1.297,507 1.217,508 1.314,509 0.665,510 1.11,511 1.406,512 1.178,513 1.403,514 1.25,515 1.362,516 1.124,517 1.313,518 0.92,519 1.054,520 0.931,521 1.423,522 0.924,523 0.79,524 1.142,525 1.07,526 1.143,527 0.708,528 1.148,529 1.16,530 0.645,531 0.856,532 0.59,533 1.168,534 0.762,535 1.137,536 0.902,537 1.027,538 0.933,539 1.114,540 0.962,541 7,542 0.149,543 4.444,544 2.125,545 1.867,546 1.208,547 0.568,548 0.384,549 0.292,550 0.242,551 8677,552 29882,553 1.984,554 37.2,555 3,556 11,558 2,564 1.699,565 1.81,566 3.432,567 -0.659,569 1,573 78.271,574 1.82,575 3.642,576 4.507,577 5.066,578 5.112,579 5.112,580 2.876,581 4.533,582 4.729,583 3.592,584 1260.78,585 8.2,586 16269.6,588 1,590 1,591 233.329,592 1.698,593 4.65,594 0.241,595 0.007,596 0.106,597 0.047,598 0.049,599 0.036,600 0.018,601 0.015,602 0.012,603 0.01,604 0.54,605 0.33,606 1,607 0.834,608 134.257,609 0.278,610 -0.007,611 0.219,612 -0.067,613 -0.082,614 -0.007,615 0.257,616 0.067,617 0.171,618 0.14,619 0.244,620 0.12,621 -0.027,622 -0.195,623 -0.141,624 -0.203,625 0.062,626 -0.166,627 -0.275,628 -0.176,629 -0.251,630 -0.174,631 -0.193,632 -0.161,633 -0.135,634 0.064,635 0.012,636 0.048,637 -0.238,638 0.031,639 0.332,640 -0.129,641 -0.087,642 -0.199,643 0.404,644 -0.23,645 -0.045,646 0.268,647 0.126,648 0.298,649 -0.062,650 0.248,651 -0.192,652 0.05,653 -0.062,654 0.072,655 -0.128,656 0.034,657 4.944,658 5.735,659 0.593,660 23.221,661 1.025,662 1.122,663 2.936,664 8.619,665 0.699,666 3.401,667 3.761,668 4.007,669 4.174,670 4.394,671 4.394,672 4.357,673 4.382,674 4.407,675 4.317,676 6.549,677 0.681,678 384.45,679 3.401,680 4.963,681 5.814,682 6.698,683 7.57,684 8.456,685 9.333,686 10.22,687 11.099,688 11.988,689 9.3,692 1,698 1,699 1,700 1,703 2,704 9,705 1,709 4,711 17,725 1,731 43,733 22,734 2,735 29,737 45,738 18,739 15,740 5,741 7,742 1,746 3,747 4,752 1,761 16,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 16,782 7,784 9,785 1,790 4,794 0.667,795 4,805 1,812 3,816 1,840 2,842 1,844 2,848 27,852 1,859 1,870 9.3,873 2,876 2,877 14.917,878 8.467,879 5.833,880 2.323,881 4.037,882 1.566,883 0.978,884 5.109,885 11.166,886 3.773,887 4.454,888 5.014,889 5.554,890 6.124,891 6.43,892 6.713,893 7.014,894 7.317,895 7.36,896 1,897 45,898 10.277,900 4.749,901 8.201,902 18.258,904 14.816,905 2.701,906 72.917,909 1,910 188.338,911 132.33,912 40.515,914 95.06,916 5.807,917 126.522,918 283.397,919 40.515,920 22.892,922 81.617,923 93.688,924 42.502,926 164.795,927 50.747,928 188.338,929 167.037,930 95.06,931 5.807,933 188.338,934 44.313,935 50.747,937 38.076,938 97.458,939 37.31,941 188.338,942 135.574,943 132.33,945 5.807,946 188.338,947 15.396,948 118.192,950 128.508,951 188.338,952 135.574,953 132.33,955 0.598,956 0.352,957 0.169,958 0.093,959 20,960 10,961 0.111,962 5,963 1,964 1.125,965 3.767,966 226.215,967 0.125,968 16,969 124.382,973 1,974 18.806,975 7.335,976 3.91,977 1.726,978 129.904,979 14.653,980 4.29,984 0.574,987 456.242,988 42.5,990 -0.636,991 -4.028,993 47.35,995 1.379,996 3.975,999 44.094,1000 48.242,1001 0.335,1002 0.671,1003 0.831,1004 0.934,1005 0.942,1006 0.942,1007 5.012,1008 1.404,1009 5.855,1010 4.315,1011 4.443,1012 5.142,1013 2.501,1014 6.73,1015 4.375,1016 6.287,1017 1.235,1018 7.476,1019 3.065,1020 4.29,1021 5.286,1022 2.361,1023 8.017,1024 4.149,1025 7.654,1026 1.086,1027 9.216,1028 2.98,1029 6.151,1030 7.528,1031 4.154,1032 11.083,1033 5.983,1034 9.067,1035 0.729,1036 11.032,1037 2.797,1038 6.804,1039 8.467,1040 4.506,1041 13.232,1042 6.535,1043 10.515,1044 0.412,1045 12.899,1046 1.678,1047 8.222,1048 10.251,1049 5.948,1050 15.949,1051 7.917,1052 11.99,1053 -0.1,1054 14.803,1055 0.96,1056 9.214,1057 11.525,1058 6.556,1059 18.407,1060 8.799,1061 13.485,1062 -0.409,1063 16.736,1064 -0.232,1065 10.494,1066 13.149,1067 7.794,1068 21.045,1069 10.022,1070 3.535,1071 -0.618,1072 18.691,1073 -0.967,1074 11.63,1075 14.571,1076 8.548,1077 23.609,1078 11.05,1079 2.923,1080 13.729,1081 20.664,1082 -1.597,1083 12.873,1084 16.138,1085 9.67,1086 26.23,1087 12.219,1088 2.756,1089 9.226,1090 22.651,1091 4.803,1092 14.072,1093 17.625,1094 10.509,1095 28.83,1096 13.315,1097 2.356,1098 8.47,1099 24.65,1100 4.34,1101 15.31,1102 19.175,1103 11.563,1104 31.449,1105 14.469,1106 2.255,1107 7.158,1108 26.657,1109 3.917,1110 16.537,1111 20.694,1112 12.452,1113 34.061,1114 15.597,1115 1.632,1116 6.666,1117 28.672,1118 3.245,1119 17.781,1120 22.24,1121 13.468,1122 36.679,1123 16.751,1124 1.618,1125 4.43,1126 30.692,1127 3.147,1128 19.022,1129 23.776,1130 14.386,1131 39.296,1132 17.897,1133 8478,1134 15942,1135 18.493,1136 30.057,1137 44.445,1138 46.489,1139 45.88,1140 43.886,1141 43.883,1142 62.708,1143 5.225,1144 130.95,1145 42.511,1146 5.76,1147 6.741,1148 7.385,1149 5.519,1150 5.535,1151 7.803,1152 4.612,1153 21.877,1154 5.254,1155 15.929,1156 1.533,1157 1.603,1158 1.582,1159 1.513,1160 1.513,1161 2.162,1162 0.18,1163 4.516,1164 1.466,1165 4.125,1166 4.126,1167 4.742,1168 4.086,1169 7.815,1170 4.027,1171 4.048,1172 4.063,1173 4.021,1174 3.99,1175 7.715,1176 3.976,1177 3.791,1178 3.794,1179 3.881,1180 3.616,1181 6.999,1182 3.575,1183 3.539,1184 3.576,1185 3.477,1186 3.429,1187 6.999,1188 3.417,1189 3.455,1190 3.489,1191 3.425,1192 3.151,1193 5.012,1194 3.197,1195 3.158,1196 3.212,1197 3.084,1198 2.935,1199 4.657,1200 2.929,1201 3.007,1202 3.083,1203 2.887,1204 2.859,1205 4.612,1206 2.856,1207 3.001,1208 3.074,1209 2.8,1210 2.742,1211 4.321,1212 2.726,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2.037,1232 2.015,1233 2.115,1234 2.126,1235 1.235,1236 2.127,1237 1.989,1238 1.992,1239 2.02,1240 2.103,1241 1.211,1242 2.099,1243 1.6,1244 1.587,1245 1.704,1246 1.849,1247 0.797,1248 1.827,1249 1.47,1250 1.457,1251 1.598,1252 1.69,1253 0.695,1254 1.649,1255 1.314,1256 1.26,1257 1.565,1258 1.579,1259 0.612,1260 1.597,1261 1.082,1262 1.022,1263 1.21,1264 1.327,1265 0.421,1266 1.377,1267 0.986,1268 0.927,1269 1.163,1270 1.25,1271 0.246,1272 1.259,1273 0.909,1274 0.84,1275 1.141,1276 1.19,1277 0.154,1278 1.195,1279 4.078,1281 5.425,1283 6.973,1285 8.608,1287 10.288,1289 2.847,1300 0.786,1305 29.293,1306 78.271,1307 156.6,1308 193.82,1309 217.82,1310 219.82,1311 219.82,1312 67.282,1313 7.129,1314 108.45,1315 116.83,1316 18,1317 12.52,1318 4.524,1319 3.858,1320 47.104,1321 106,1322 100,1323 0.215,1324 186.271,1325 321.45,1326 446.262,1327 11950,1329 19.604,1330 0.726,1331 0.571,1332 19.854,1333 15.42,1334 12.786,1335 0.441,1336 0.323,1337 7.912,1338 11.41,1339 7.544,1340 6.318,1341 13.574,1342 9.356,1343 12.184,1344 0.29,1345 0.185,1346 13.527,1347 7.771,1348 10.061,1349 0.186,1350 0.107,1351 11.447,1352 5.775,1353 7.453,1354 0.116,1355 0.058,1356 8.499,1357 3.692,1358 6.02,1359 0.075,1360 0.031,1361 6.862,1362 2.492,1363 0.34,1364 89.045,1365 0.233,1366 25.987,1367 0.585,1368 142,1369 512.383,1370 198.451,1371 513.712,1372 682.74,1373 468,1374 167,1375 475.509,1376 231.212,1377 514.401,1378 740.46,1379 478,1380 5}
{0 CHEMBL240335,1 1.82,2 10.333,3 3.255,4 10.596,5 103.276,6 8.941,7 0.586,8 3.881,9 3.968,10 3.751,11 3.477,12 5.113,13 3.448,14 4.374,15 4.504,16 4.056,17 3.843,18 5.863,19 3.815,20 4.572,21 4.702,22 4.16,23 4.005,24 5.953,25 3.955,26 4.737,27 4.898,28 4.074,29 3.945,30 6.112,31 3.896,32 4.674,33 4.868,34 4.006,35 3.785,36 5.979,37 3.748,38 4.534,39 4.709,40 3.937,41 3.685,42 6.204,43 3.653,44 4.529,45 4.74,46 3.778,47 3.677,48 5.907,49 3.606,50 4.343,51 4.51,52 3.6,53 3.614,54 5.694,55 3.549,56 0.2,57 0.675,58 8.593,59 4.046,60 14.781,61 4.226,62 0.499,63 1.027,64 14.041,65 6.214,66 76.625,67 6.908,68 0.392,69 1.253,70 20.129,71 8.605,72 38.64,73 8.822,74 0.687,75 1.346,76 28.097,77 9.711,78 102.533,79 9.627,80 0.812,81 1.24,82 26.376,83 8.229,84 114.028,85 8.606,86 0.871,87 1.097,88 20.315,89 6.688,90 140.4,91 7.452,92 0.73,93 1.029,94 23.209,95 7.539,96 97.829,97 8.435,98 0.439,99 0.849,100 18.717,101 7.092,102 65.331,103 7.464,104 38,105 42,106 0.31,107 0.622,108 0.769,109 0.847,110 0.863,111 0.871,112 3.34,113 0.967,114 -4.17,115 -4.11,116 -3.89,119 41.9,120 1,124 1,142 7,143 4,144 2,145 2,155 1,166 3,172 10,174 4,175 5,183 12,186 2,187 15,195 8,198 1,199 16,207 1,211 4,212 15,223 7,224 8,232 2,236 4,237 5,245 4,250 7,258 7,263 7,271 9,275 1078,276 17.601,277 17.601,278 17.601,279 17.601,280 17.601,281 14.863,282 10.915,283 10.117,284 17.877,285 14.236,286 14.236,287 14.236,288 14.236,289 14.236,290 10.056,291 8.46,292 4.705,293 14.697,294 3.606,295 1.776,296 0.911,297 0.454,298 0.361,299 0.314,300 4.015,303 1,304 1,305 1,306 590,307 4.123,311 242.919,315 126.522,318 1.506,319 43.256,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 279,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.501,342 3.775,343 6.506,344 4.024,345 3.03,346 4.441,348 10.196,349 3.013,350 4.235,351 3.05,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.766,360 2.649,361 5.731,362 3.31,363 2.329,364 3.235,366 7.144,367 2.281,368 3.577,369 2.315,370 5.206,371 3.112,372 2.121,373 2.995,375 6.255,376 2.1,377 3.118,378 1.986,379 4.696,380 2.591,381 1.632,382 2.427,384 4.414,385 1.57,386 3.03,387 1.903,388 4.172,389 2.585,390 1.618,391 2.12,393 3.78,394 1.548,395 2.914,396 1.618,397 3.919,398 2.252,399 1.274,400 2.012,402 3.049,403 1.244,404 2.766,405 1.357,406 3.77,407 2.234,408 1.235,409 1.895,411 2.857,412 1.233,413 2.654,414 1.253,415 3.595,416 2.097,417 1.113,418 1.684,420 2.784,421 1.092,422 2.355,423 1,424 3.381,425 1.894,426 0.921,427 1.281,428 2.17,429 0.894,430 1.927,431 0.984,432 3.084,433 1.322,434 0.379,435 0.55,436 0.865,437 0.356,438 1.251,439 0.706,440 2.768,441 0.881,442 -0.1,443 -0.128,445 -0.232,446 -0.097,447 1.061,448 0.412,449 2.428,450 0.566,451 -0.395,452 -0.532,454 -0.945,455 -0.379,456 1,457 -0.18,458 2.312,459 0.36,460 -0.618,461 -0.927,463 -1.478,464 -0.603,465 12.767,466 0.473,467 0.869,468 0.032,469 40.25,470 1.491,471 23.5,472 0.87,473 16.75,474 0.62,475 18.201,476 0.674,477 28.633,478 0.666,479 32.899,480 1.218,481 8.01,482 0.297,483 4.793,484 0.178,485 0.183,486 0.065,487 0.298,493 0.312,494 1.175,495 0.744,496 1.186,497 0.573,498 0.917,499 0.538,500 0.958,501 0.715,502 0.817,503 0.492,504 0.775,505 0.777,506 1.26,507 1.197,508 1.304,509 0.656,510 1.096,511 1.352,512 1.267,513 1.375,514 1.3,515 1.325,516 1.165,517 1.296,518 1.002,519 1.045,520 0.944,521 1.37,522 0.943,523 0.843,524 1.02,525 0.999,526 0.978,527 0.722,528 1.02,529 1.135,530 0.67,531 1.004,532 0.742,533 1.125,534 0.827,535 1.204,536 0.94,537 1.194,538 1.11,539 1.236,540 1.057,541 6.5,542 0.14,543 4.667,544 2.375,545 1.667,546 1.215,547 0.651,548 0.438,549 0.284,550 0.196,551 8317,552 28902,553 1.984,554 37.2,555 3,556 10,558 3,564 1.702,565 1.81,566 3.34,567 -0.659,568 1,569 1,573 78.271,574 1.82,575 3.65,576 4.516,577 4.973,578 5.066,579 5.112,580 2.732,581 4.459,582 4.731,583 3.508,584 1231.37,585 8.215,586 15739.6,588 1,590 1,591 233.329,592 1.698,593 4.65,594 0.224,595 0.007,596 0.111,597 0.052,598 0.042,599 0.035,600 0.02,601 0.015,602 0.011,603 0.008,604 0.523,605 0.33,606 1,607 0.834,608 133.346,609 0.278,610 -0.007,611 0.219,612 -0.067,613 -0.078,614 -0.007,615 0.247,616 0.129,617 0.164,618 0.171,619 0.238,620 0.142,621 -0.014,622 -0.165,623 -0.13,624 -0.183,625 0.066,626 -0.146,627 -0.249,628 -0.268,629 -0.248,630 -0.226,631 -0.18,632 -0.204,633 -0.137,634 -0.008,635 0.012,636 0.015,637 -0.229,638 0.007,639 0.291,640 0.013,641 -0.005,642 -0.049,643 0.376,644 -0.109,645 -0.045,646 0.282,647 0.056,648 0.234,649 -0.032,650 0.177,651 -0.19,652 -0.03,653 -0.169,654 -0.058,655 -0.124,656 -0.034,657 4.955,658 5.787,659 0.593,660 21.849,661 1.025,662 1.122,663 2.936,664 8.619,665 0.699,666 3.401,667 3.761,668 4.025,669 4.205,670 4.407,671 4.407,672 4.394,673 4.394,674 4.394,675 4.331,676 6.273,677 0.681,678 384.45,679 3.401,680 4.963,681 5.82,682 6.708,683 7.585,684 8.476,685 9.358,686 10.25,687 11.133,688 12.026,689 9.3,692 1,698 1,699 1,700 1,703 2,704 9,705 1,709 4,711 17,725 1,731 43,733 22,734 2,735 29,737 45,738 18,739 15,740 5,741 7,742 1,746 3,747 4,752 1,761 16,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 16,782 7,784 9,785 1,790 4,794 0.667,795 4,805 1,812 3,816 1,840 2,842 1,844 2,848 27,852 1,859 1,870 9.3,873 2,876 2,877 14.917,878 8.467,879 5.861,880 2.319,881 4.075,882 1.572,883 0.978,884 5.109,885 11.204,886 3.773,887 4.454,888 5.029,889 5.584,890 6.137,891 6.427,892 6.726,893 7.009,894 7.271,895 7.346,896 0.857,897 46,898 10.28,900 4.754,901 8.201,902 18.258,904 14.83,905 2.701,906 72.917,909 1,910 188.338,911 132.33,912 40.515,914 95.06,916 5.807,917 126.522,918 283.397,919 40.515,920 22.892,922 72.141,923 105.459,924 51.978,926 153.024,927 50.747,928 188.338,929 167.037,930 95.06,931 5.807,933 188.338,934 44.313,935 50.747,937 44.979,938 90.555,939 37.31,941 188.338,942 135.574,943 132.33,945 5.807,946 188.338,947 15.825,948 117.764,950 128.508,951 188.338,952 135.574,953 132.33,955 0.597,956 0.356,957 0.175,958 0.094,959 20,960 10,961 0.111,962 5,963 1,964 1.125,965 3.721,966 229.058,967 0.125,968 16,969 124.382,973 1,974 18.806,975 7.335,976 3.761,977 1.787,978 129.904,979 14.528,980 4.122,984 0.6,987 456.242,988 42.5,990 -0.635,991 -4.039,993 47.487,995 1.402,996 4.019,999 44.094,1000 48.242,1001 0.335,1002 0.673,1003 0.832,1004 0.916,1005 0.934,1006 0.942,1007 5.012,1008 1.274,1009 5.861,1010 3.78,1011 4.443,1012 5.142,1013 2.501,1014 6.749,1015 4.377,1016 6.287,1017 1.235,1018 7.489,1019 3.049,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.159,1025 7.656,1026 1.113,1027 9.239,1028 2.857,1029 6.159,1030 7.536,1031 4.154,1032 11.136,1033 6.002,1034 9.073,1035 0.921,1036 11.065,1037 2.784,1038 6.825,1039 8.488,1040 4.506,1041 13.291,1042 6.578,1043 10.525,1044 0.379,1045 12.94,1046 2.17,1047 8.247,1048 10.275,1049 5.948,1050 16.008,1051 7.965,1052 12.005,1053 -0.1,1054 14.85,1055 0.865,1056 9.251,1057 11.564,1058 6.556,1059 18.459,1060 8.871,1061 13.506,1062 -0.395,1063 16.787,1064 -0.232,1065 10.532,1066 13.191,1067 7.794,1068 21.091,1069 10.099,1070 3.535,1071 -0.618,1072 18.744,1073 -0.945,1074 11.674,1075 14.622,1076 8.548,1077 23.646,1078 11.145,1079 3.03,1080 13.729,1081 20.717,1082 -1.478,1083 12.917,1084 16.192,1085 9.67,1086 26.261,1087 12.319,1088 2.756,1089 10.196,1090 22.703,1091 4.803,1092 14.116,1093 17.686,1094 10.509,1095 28.854,1096 13.425,1097 2.329,1098 8.469,1099 24.699,1100 4.441,1101 15.353,1102 19.237,1103 11.563,1104 31.468,1105 14.582,1106 2.121,1107 7.144,1108 26.703,1109 3.917,1110 16.579,1111 20.76,1112 12.452,1113 34.075,1114 15.716,1115 1.632,1116 6.255,1117 28.714,1118 3.235,1119 17.82,1120 22.307,1121 13.468,1122 36.691,1123 16.871,1124 1.618,1125 4.414,1126 30.73,1127 2.995,1128 19.059,1129 23.844,1130 14.386,1131 39.305,1132 18.018,1133 8165,1134 15423,1135 18.493,1136 30.057,1137 44.434,1138 46.487,1139 46.098,1140 43.89,1141 43.887,1142 62.719,1143 5.225,1144 131.423,1145 42.543,1146 5.761,1147 6.741,1148 7.387,1149 5.518,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.85,1156 1.532,1157 1.603,1158 1.59,1159 1.513,1160 1.513,1161 2.163,1162 0.18,1163 4.532,1164 1.467,1165 4.128,1166 4.131,1167 4.742,1168 4.089,1169 7.815,1170 4.039,1171 4.053,1172 4.064,1173 4.031,1174 4.007,1175 7.715,1176 3.983,1177 3.788,1178 3.788,1179 3.881,1180 3.613,1181 6.999,1182 3.567,1183 3.505,1184 3.55,1185 3.446,1186 3.352,1187 6.999,1188 3.349,1189 3.438,1190 3.478,1191 3.394,1192 3.152,1193 5.003,1194 3.198,1195 3.214,1196 3.257,1197 3.163,1198 3.04,1199 4.65,1200 3.041,1201 3.063,1202 3.143,1203 2.898,1204 2.876,1205 4.585,1206 2.854,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.445,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2.052,1232 2.032,1233 2.126,1234 2.13,1235 1.251,1236 2.133,1237 1.989,1238 1.993,1239 2.02,1240 2.103,1241 1.231,1242 2.099,1243 1.579,1244 1.576,1245 1.672,1246 1.843,1247 0.788,1248 1.82,1249 1.426,1250 1.394,1251 1.573,1252 1.678,1253 0.618,1254 1.634,1255 1.315,1256 1.261,1257 1.565,1258 1.564,1259 0.611,1260 1.578,1261 1.14,1262 1.097,1263 1.322,1264 1.338,1265 0.421,1266 1.381,1267 1.058,1268 0.984,1269 1.15,1270 1.288,1271 0.358,1272 1.309,1273 0.907,1274 0.84,1275 1.1,1276 1.25,1277 0.098,1278 1.259,1279 4.078,1281 5.425,1283 6.978,1285 8.622,1287 10.313,1289 2.853,1300 0.792,1305 29.293,1306 78.271,1307 156.949,1308 194.168,1309 213.82,1310 217.82,1311 219.82,1312 68.012,1313 7.129,1314 108.45,1315 116.83,1316 18,1317 12.555,1318 4.524,1319 3.858,1320 46.975,1321 102,1322 87,1323 0.225,1324 186.271,1325 321.45,1326 446.262,1327 11898,1329 19.604,1330 0.726,1331 0.571,1332 19.854,1333 15.42,1334 12.803,1335 0.441,1336 0.322,1337 7.907,1338 11.422,1339 7.539,1340 6.314,1341 13.591,1342 9.352,1343 12.1,1344 0.288,1345 0.185,1346 13.443,1347 7.759,1348 10.099,1349 0.184,1350 0.106,1351 11.485,1352 5.852,1353 7.629,1354 0.116,1355 0.057,1356 8.675,1357 3.771,1358 6.062,1359 0.075,1360 0.031,1361 6.898,1362 2.499,1363 0.351,1364 89.192,1365 0.233,1366 25.77,1367 0.622,1368 142,1369 512.383,1370 198.118,1371 513.635,1372 682.34,1373 468,1374 168,1375 474.156,1376 231.879,1377 513.551,1378 739.56,1379 477,1380 6.097}
{0 CHEMBL240336,1 1.946,2 10.429,3 4.004,4 16.029,5 110.899,6 10.775,7 0.567,8 3.886,9 3.965,10 3.894,11 3.518,12 5.121,13 3.48,14 4.38,15 4.501,16 4.261,17 3.9,18 5.878,19 3.859,20 4.582,21 4.696,22 4.361,23 4.071,24 5.975,25 4.004,26 4.743,27 4.894,28 4.283,29 4.006,30 6.125,31 3.942,32 4.68,33 4.865,34 4.313,35 3.873,36 5.998,37 3.818,38 4.546,39 4.7,40 4.223,41 3.763,42 6.234,43 3.713,44 4.532,45 4.739,46 3.939,47 3.698,48 5.914,49 3.627,50 4.349,51 4.507,52 4.106,53 3.706,54 5.69,55 3.611,56 0.209,57 0.661,58 4.673,59 3.981,60 16.696,61 3.864,62 0.526,63 1.013,64 10.239,65 6.365,66 79.684,67 6.503,68 0.449,69 1.237,70 23.286,71 9.209,72 41.88,73 8.442,74 0.763,75 1.351,76 28.369,77 10.635,78 108.072,79 9.272,80 0.869,81 1.255,82 24.32,83 9.286,84 121.51,85 8.403,86 0.924,87 1.102,88 30.395,89 7.799,90 140.681,91 7.312,92 0.782,93 1.045,94 23.087,95 7.989,96 102.129,97 8.252,98 0.493,99 0.846,100 26.18,101 7.992,102 73.849,103 7.294,104 51,105 44,106 0.331,107 0.657,108 0.801,109 0.871,110 0.871,111 0.871,112 3.375,113 1.024,114 -4.78,115 -4.69,116 -4.41,117 1,119 41.9,120 1,124 1,142 6,143 4,144 3,145 2,155 1,166 3,172 8,174 4,175 5,183 12,186 2,187 15,195 8,198 1,199 16,207 3,211 4,212 13,223 7,224 9,232 2,236 4,237 6,245 4,250 5,258 7,263 9,271 7,275 1178,276 18.048,277 18.048,278 18.048,279 18.048,280 18.048,281 15.286,282 12.559,283 10.256,284 18.488,285 14.719,286 14.719,287 14.719,288 14.719,289 14.719,290 10.469,291 9.136,292 4.788,293 15.503,294 3.481,295 1.571,296 0.721,297 0.314,298 0.314,299 0.314,300 4.047,304 1,305 1,306 615,307 4.183,311 252.686,315 131.609,318 1.541,319 44.913,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 61.75,331 292,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.526,342 3.775,343 6.524,344 4.046,345 3.058,346 4.471,348 10.278,349 3.02,350 4.235,351 3.133,352 6.051,353 3.731,354 2.756,355 3.917,357 8.469,358 2.685,359 3.77,360 2.734,361 5.731,362 3.314,363 2.339,364 3.237,366 7.145,367 2.282,368 3.674,369 2.628,370 5.227,371 3.187,372 2.261,373 3.118,375 6.367,376 2.114,377 3.469,378 2.284,379 4.958,380 2.953,381 2.023,382 2.859,384 5.789,385 1.741,386 3.033,387 1.971,388 4.696,389 2.589,390 1.632,391 2.146,393 4.412,394 1.55,395 2.915,396 1.902,397 4.129,398 2.351,399 1.415,400 2.067,402 3.515,403 1.304,404 2.897,405 1.455,406 3.914,407 2.234,408 1.236,409 2.01,411 3.034,412 1.234,413 2.656,414 1.336,415 3.769,416 2.103,417 1.119,418 1.689,420 2.816,421 1.097,422 2.386,423 1.001,424 3.441,425 1.923,426 0.949,427 1.325,428 2.295,429 0.915,430 1.952,431 1,432 3.139,433 1.359,434 0.427,435 0.606,436 0.984,437 0.387,438 1.259,439 0.785,440 2.788,441 0.882,442 -0.096,443 -0.123,445 -0.224,446 -0.086,447 1.25,448 0.42,449 2.485,450 0.715,451 -0.156,452 -0.206,454 -0.361,455 -0.11,456 1,457 0.32,458 2.387,459 0.407,460 -0.532,461 -0.722,463 -1.282,464 -0.46,465 14.1,466 0.504,467 0.976,468 0.035,469 40.75,470 1.455,471 23.5,472 0.839,473 17.25,474 0.616,475 21.878,476 0.781,477 29.1,478 0.677,479 32.446,480 1.159,481 7.811,482 0.279,483 5.385,484 0.192,485 0.26,486 0.059,487 0.305,493 0.326,494 1.148,495 0.525,496 0.993,497 0.578,498 0.844,499 0.551,500 0.921,501 0.583,502 0.692,503 0.489,504 0.698,505 0.822,506 1.254,507 1.075,508 1.249,509 0.67,510 1.113,511 1.357,512 1.253,513 0.845,514 1.154,515 1.339,516 1.131,517 1.295,518 0.961,519 0.725,520 0.799,521 1.374,522 0.853,523 0.851,524 1.102,525 1.27,526 1.17,527 0.728,528 1.142,529 1.09,530 0.695,531 0.443,532 0.666,533 1.128,534 0.801,535 1.185,536 0.89,537 0.596,538 0.839,539 1.262,540 0.947,541 7.5,542 0.173,543 4.889,544 2.438,545 2.018,546 1.354,547 0.691,548 0.469,549 0.333,550 0.216,551 9082,552 35347,553 1.964,554 34.9,555 3,556 9,558 3,564 1.712,565 1.778,566 3.37,567 -0.636,569 1,573 83.667,574 1.946,575 3.855,576 4.705,577 5.112,578 5.112,579 5.112,580 2.74,581 4.111,582 4.784,583 3.542,584 1338.81,585 8.321,586 17599.5,591 233.329,592 1.728,593 4.694,594 0.25,595 0.008,596 0.111,597 0.051,598 0.048,599 0.036,600 0.02,601 0.016,602 0.011,603 0.008,604 0.558,605 0.17,606 0.88,607 0.843,608 140.04,609 0.262,610 -0.001,611 0.044,612 -0.06,613 -0.078,614 -0.008,615 0.228,616 0.156,617 0.056,618 0.188,619 0.243,620 0.175,621 -0.057,622 -0.172,623 -0.144,624 -0.207,625 0.052,626 -0.198,627 -0.273,628 -0.252,629 -0.099,630 -0.164,631 -0.194,632 -0.184,633 -0.156,634 0.047,635 0.046,636 0.129,637 -0.232,638 0.103,639 0.274,640 -0.064,641 -0.121,642 -0.184,643 0.364,644 -0.222,645 -0.017,646 0.271,647 0.071,648 0.213,649 -0.031,650 0.202,651 -0.177,652 0.016,653 0.127,654 0.132,655 -0.146,656 0.064,657 4.973,658 5.833,659 0.571,660 22.791,661 1.031,662 1.118,663 3.55,664 12.606,665 0.73,666 3.434,667 3.807,668 4.06,669 4.248,670 4.477,671 4.489,672 4.466,673 4.477,674 4.5,675 4.431,676 6.43,677 0.705,678 463.34,679 3.434,680 5.004,681 5.861,682 6.753,683 7.632,684 8.526,685 9.41,686 10.304,687 11.19,688 12.085,689 9.3,692 1,698 1,699 1,700 1,703 2,704 8,705 1,709 5,711 17,725 1,730 1,731 43,733 22,734 2,735 30,736 1,737 45,738 18,739 15,740 6,741 6,742 1,746 3,747 4,752 1,761 16,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 15,782 7,784 10,785 2,790 4,794 0.667,795 4,805 1,812 3,816 1,840 2,842 1,843 1,844 2,848 28,852 1,859 1,869 1,870 9.3,873 2,876 2,877 15.75,878 8.526,879 6.028,880 2.299,881 4.085,882 1.565,883 0.982,884 5.683,885 11.319,886 3.795,887 4.489,888 5.058,889 5.622,890 6.198,891 6.508,892 6.796,893 7.093,894 7.376,895 7.465,896 0.857,897 48,898 10.651,900 4.918,901 8.19,902 18.929,904 15.392,905 2.69,906 75.333,909 1,910 176.567,911 125.908,912 86.469,914 95.06,916 5.807,917 166.055,918 271.626,919 40.515,920 22.892,922 62.665,923 105.459,924 55.034,926 141.253,927 96.701,928 176.567,929 160.616,930 95.06,931 5.807,932 45.954,933 176.567,934 44.313,935 50.747,937 44.979,938 84.134,939 37.31,940 45.954,941 176.567,942 135.574,943 171.863,945 5.807,946 176.567,947 18.88,948 108.287,949 45.954,950 128.508,951 176.567,952 135.574,953 171.863,955 0.602,956 0.354,957 0.173,958 0.097,959 21,960 11,961 0.111,962 5,963 1,964 1.125,965 3.771,966 241.7,967 0.125,968 16,969 128.606,973 1,974 20.246,975 7.86,976 4.186,977 1.734,978 129.904,979 12.628,980 4.136,984 1.43,987 484.004,988 43.5,990 -0.638,991 -4.056,993 47.628,995 1.395,996 4.033,999 44.324,1000 48.084,1001 0.359,1002 0.71,1003 0.867,1004 0.942,1005 0.942,1006 0.942,1007 5.045,1008 1.415,1009 5.911,1010 4.412,1011 4.489,1012 5.176,1013 2.501,1014 6.799,1015 4.392,1016 6.327,1017 1.236,1018 7.541,1019 3.515,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.187,1025 7.7,1026 1.119,1027 9.287,1028 3.034,1029 6.209,1030 7.573,1031 4.154,1032 11.166,1033 6.015,1034 9.118,1035 0.949,1036 11.106,1037 2.816,1038 6.878,1039 8.533,1040 4.506,1041 13.304,1042 6.593,1043 10.569,1044 0.427,1045 12.974,1046 2.295,1047 8.287,1048 10.307,1049 5.948,1050 16.021,1051 7.975,1052 12.046,1053 -0.096,1054 14.878,1055 0.984,1056 9.287,1057 11.596,1058 6.556,1059 18.466,1060 8.881,1061 13.543,1062 -0.156,1063 16.809,1064 -0.224,1065 10.562,1066 13.218,1067 7.794,1068 21.098,1069 10.107,1070 3.535,1071 -0.532,1072 18.761,1073 -0.361,1074 11.7,1075 14.649,1076 8.548,1077 23.651,1078 11.153,1079 3.058,1080 13.729,1081 20.73,1082 -1.282,1083 12.939,1084 16.217,1085 9.67,1086 26.265,1087 12.326,1088 2.756,1089 10.278,1090 22.713,1091 4.803,1092 14.137,1093 17.711,1094 10.509,1095 28.857,1096 13.433,1097 2.339,1098 8.469,1099 24.707,1100 4.471,1101 15.372,1102 19.262,1103 11.563,1104 31.471,1105 14.59,1106 2.261,1107 7.145,1108 26.709,1109 3.917,1110 16.596,1111 20.785,1112 12.452,1113 34.078,1114 15.724,1115 2.023,1116 6.367,1117 28.719,1118 3.237,1119 17.835,1120 22.332,1121 13.468,1122 36.693,1123 16.879,1124 1.632,1125 5.789,1126 30.734,1127 3.118,1128 19.073,1129 23.869,1130 14.386,1131 39.306,1132 18.026,1133 8955,1134 17841,1135 18.898,1136 31.409,1137 46.144,1138 48.24,1139 48.158,1140 45.702,1141 45.499,1142 64.497,1143 5.225,1144 137.669,1145 43.165,1146 5.761,1147 6.741,1148 7.243,1149 5.519,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.737,1156 1.538,1157 1.608,1158 1.605,1159 1.523,1160 1.517,1161 2.15,1162 0.174,1163 4.589,1164 1.439,1165 4.129,1166 4.131,1167 6.88,1168 4.091,1169 7.815,1170 4.044,1171 4.055,1172 4.064,1173 4.742,1174 4.02,1175 7.715,1176 3.986,1177 3.788,1178 3.788,1179 3.998,1180 3.614,1181 6.999,1182 3.568,1183 3.508,1184 3.549,1185 3.881,1186 3.399,1187 6.999,1188 3.375,1189 3.442,1190 3.475,1191 3.441,1192 3.153,1193 4.999,1194 3.2,1195 3.217,1196 3.256,1197 3.341,1198 3.076,1199 4.649,1200 3.06,1201 3.065,1202 3.143,1203 3.114,1204 2.881,1205 4.585,1206 2.857,1207 3.005,1208 3.082,1209 2.883,1210 2.678,1211 4.449,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2.05,1232 2.033,1233 2.1,1234 2.123,1235 1.257,1236 2.126,1237 1.989,1238 1.993,1239 2.019,1240 2.099,1241 1.232,1242 2.096,1243 1.578,1244 1.576,1245 1.662,1246 1.841,1247 0.788,1248 1.819,1249 1.421,1250 1.398,1251 1.565,1252 1.675,1253 0.614,1254 1.631,1255 1.315,1256 1.261,1257 1.531,1258 1.537,1259 0.609,1260 1.555,1261 1.137,1262 1.099,1263 1.283,1264 1.335,1265 0.421,1266 1.38,1267 1.058,1268 0.985,1269 1.149,1270 1.28,1271 0.341,1272 1.298,1273 0.907,1274 0.84,1275 1.092,1276 1.25,1277 0.098,1278 1.259,1279 4.111,1281 5.468,1283 7.024,1285 8.669,1287 10.361,1288 3.409,1289 2.846,1300 0.788,1305 30.318,1306 83.667,1307 165.781,1308 202.31,1309 219.82,1310 219.82,1311 219.82,1312 73.003,1313 7.233,1314 108.45,1315 116.83,1316 18,1317 12.612,1318 4.524,1319 3.858,1320 49.681,1321 109,1322 90,1323 0.223,1324 198.185,1325 340.73,1326 475.332,1327 13505,1328 2.3,1329 20.474,1330 0.731,1331 0.618,1332 21.724,1333 17.307,1334 13.196,1335 0.44,1336 0.341,1337 8.055,1338 11.243,1339 7.632,1340 6.363,1341 14.562,1342 10.245,1343 12.734,1344 0.289,1345 0.2,1346 14.893,1347 8.819,1348 10.441,1349 0.183,1350 0.112,1351 12.352,1352 6.4,1353 7.837,1354 0.114,1355 0.06,1356 9.322,1357 4.151,1358 6.412,1359 0.074,1360 0.034,1361 7.848,1362 2.946,1363 0.349,1364 99.927,1365 0.23,1366 26.548,1367 0.617,1368 148,1369 539.037,1370 269.989,1371 575.792,1372 753.71,1373 524,1374 175,1375 497.89,1376 267.143,1377 550.2,1378 793.13,1379 511,1380 5.658}
{0 CHEMBL243810,1 1.547,2 8.478,3 3.409,4 11.621,5 86.007,6 7.907,7 0.462,8 3.796,9 3.888,10 3.429,11 3.35,12 4.906,13 3.353,14 4.339,15 4.479,16 3.786,17 3.732,18 5.463,19 3.718,20 4.558,21 4.739,22 3.854,23 3.85,24 5.596,25 3.817,26 4.553,27 4.733,28 3.804,29 3.775,30 5.697,31 3.748,32 4.485,33 4.662,34 3.755,35 3.742,36 5.621,37 3.715,38 4.403,39 4.561,40 3.641,41 3.708,42 5.566,43 3.662,44 4.374,45 4.554,46 3.466,47 3.61,48 5.544,49 3.535,50 4.263,51 4.494,52 3.116,53 3.448,54 5.186,55 3.308,56 0.034,57 0.541,58 7.026,59 3.581,60 5.011,61 4.212,62 0.348,63 0.904,64 14.502,65 5.872,66 23.831,67 7.029,68 0.297,69 1.087,70 19.634,71 7.681,72 23.04,73 9.625,74 0.464,75 1.056,76 20.238,77 7.307,78 42.711,79 8.941,80 0.47,81 0.989,82 18.914,83 6.84,84 37.514,85 8.289,86 0.251,87 0.922,88 16.155,89 6.564,90 35.369,91 7.794,92 0.367,93 0.889,94 16.504,95 6.307,96 47.348,97 7.743,98 0.175,99 0.795,100 15.459,101 6.194,102 25.383,103 8.334,104 2,105 36,106 0.274,107 0.57,108 0.664,109 0.755,110 0.809,111 0.809,112 3.19,113 0.882,114 -4.32,115 -4.25,116 -4.01,119 46.2,125 4,142 8,143 3,144 1,158 1,159 1,172 11,174 4,175 4,183 13,186 1,187 5,195 11,198 2,199 9,207 8,211 2,212 9,220 7,224 8,232 4,236 1,237 8,245 1,250 6,263 3,275 696,276 16.052,277 16.052,278 16.052,279 16.052,280 16.052,281 14.337,282 14.22,283 9.684,284 16.458,285 12.881,286 12.881,287 12.881,288 12.881,289 12.881,290 10.246,291 16.6,292 4.62,293 13.529,294 3.739,295 2.071,296 1.538,297 1.026,298 0.718,299 0.718,300 3.894,303 1,304 1,305 1,306 432,307 1.871,311 226.251,315 87.589,318 1.195,319 21.763,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 195,332 4.563,333 3.745,334 6.805,335 4.189,336 3.22,337 4.235,338 1.724,339 11.241,340 3.131,341 4.105,342 3.239,343 6.168,344 3.743,345 2.804,346 3.569,347 1.009,348 9.13,349 2.678,350 3.843,351 3.055,352 5.977,353 3.545,354 2.573,355 3.161,356 0.86,357 8.358,358 2.438,359 3.448,360 2.486,361 5.091,362 3,363 2.008,364 2.747,365 0.65,366 5.74,367 1.984,368 3.037,369 2.339,370 4.539,371 2.72,372 1.829,373 2.146,374 0.097,375 4.675,376 1.626,377 2.918,378 1.84,379 4.227,380 2.486,381 1.504,382 2.042,384 3.737,385 1.467,386 2.828,387 1.668,388 3.804,389 2.384,390 1.417,391 1.893,393 3.138,394 1.362,395 2.515,396 1.517,397 3.525,398 2.071,399 1.139,400 1.5,402 2.708,403 1.056,404 2.5,405 1.256,406 3.457,407 2,408 1,409 1.488,411 2.362,412 1,413 2.206,414 1.173,415 3.247,416 1.952,417 1,418 1.138,420 2.136,421 0.946,422 2,423 1,424 3.247,425 1.877,426 0.936,427 1,428 2.136,429 0.87,430 1.427,431 0.764,432 2.788,433 0.934,434 -0.029,435 -0.038,436 -0.076,437 -0.028,438 0.919,439 0.047,440 2.655,441 0.469,442 -0.491,443 -0.592,445 -1.281,446 -0.46,447 0.775,448 -0.36,449 2.417,450 0.45,451 -0.546,452 -0.748,454 -1.29,455 -0.544,456 0.562,457 -0.403,458 2.211,459 0.189,460 -0.76,461 -0.855,463 -1.88,464 -0.715,465 10.8,466 0.47,467 0.432,468 0.019,469 31,470 1.348,471 15.5,472 0.674,473 15.5,474 0.674,475 15.864,476 0.69,477 24,478 0.615,479 21.951,480 0.954,481 6.349,482 0.276,483 4.977,484 0.216,485 0.031,487 0.315,493 0.767,494 1.299,495 0.69,496 1.097,497 0.58,498 0.918,499 0.974,500 0.885,501 0.906,502 0.881,503 0.649,504 0.879,505 0.995,506 1.031,507 0.869,508 0.967,509 0.73,510 0.904,511 1.206,512 0.998,513 0.981,514 0.928,515 1.064,516 0.91,517 1.235,518 0.88,519 0.98,520 0.82,521 1.195,522 0.841,523 1.252,524 1.164,525 1.154,526 1.138,527 1.851,528 1.131,529 1.139,530 1.109,531 1.261,532 1.129,533 1.828,534 1.2,535 0.693,536 1.16,537 1.162,538 1.27,539 0.864,540 1.299,541 3,542 0.016,543 2.444,544 1.313,545 1.08,546 0.903,547 0.487,548 0.196,549 0.061,550 0.023,551 5444,552 14376,553 2.196,554 41,556 16,564 1.664,565 2.123,566 3.092,567 -0.772,569 1,571 1,573 60.317,574 1.547,575 3.215,576 3.747,577 4.26,578 4.567,579 4.567,580 2.475,581 3.882,582 4.496,583 3.169,584 801.674,585 7.774,586 8784.54,587 1,588 1,589 1,590 1,591 206.131,592 1.121,593 4.483,594 0.115,595 0.004,596 0.068,597 0.035,598 0.031,599 0.027,600 0.016,601 0.008,602 0.004,603 0.003,604 0.31,605 0.5,606 1,607 0.393,608 105.068,609 -0.023,610 -0.219,611 0.075,612 -0.108,613 -0.028,614 -0.019,615 0.071,616 0.192,617 -0.02,618 0.068,619 0.048,620 0.012,621 -0.028,622 -0.028,623 0.075,624 0.002,625 0.024,626 0.05,627 -0.005,628 0.002,629 0.006,630 0.021,631 0.034,632 0.018,633 -0.029,634 0.125,636 0.134,637 -0.061,638 0.085,639 -0.198,640 -0.166,641 -0.235,642 -0.169,643 -0.222,644 -0.203,645 -0.087,646 -0.115,647 -0.309,648 -0.169,649 -0.147,650 -0.26,651 -0.03,652 -0.213,653 -0.198,654 -0.279,655 -0.056,656 -0.271,657 1.925,658 5.397,659 0.957,660 16.163,661 1.01,662 1.116,663 3.085,664 9.519,665 0.685,666 3.296,667 3.611,668 3.932,669 4.234,670 4.522,671 4.585,672 4.771,673 4.875,674 4.956,675 4.942,676 5.05,677 0.663,678 308.36,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.358,685 9.252,686 10.151,687 11.05,688 11.952,689 5.1,692 1,698 1,704 8,709 4,711 12,729 1,731 39,733 14,734 2,735 26,737 42,738 18,739 12,740 4,741 8,742 2,746 4,747 5,761 14,762 4,766 2,771 1,774 1,775 2,777 1,778 1,781 16,782 5,784 5,790 2,794 0.75,795 3,812 4,816 1,836 1,839 1,840 3,848 23,854 4,856 2,859 1,870 7.7,873 1,874 1,875 1,877 10.833,878 7.067,879 5.056,880 2.392,881 2.71,882 1.37,883 1.011,884 3.757,885 10.044,886 3.555,887 4.111,888 4.705,889 5.283,890 5.847,891 6.105,892 6.554,893 6.917,894 7.241,895 7.466,896 0.833,897 38,898 8.521,900 3.684,901 7.717,902 16.302,904 13.515,905 2.217,906 51,910 188.338,911 113.097,912 19.91,914 47.145,917 113.097,918 235.482,919 19.91,921 13.396,922 75.81,923 40.849,924 45.71,925 4.386,926 188.338,928 188.338,929 133.007,930 47.145,933 188.338,934 36.145,935 11,937 33.306,938 99.701,941 188.338,942 67.055,943 113.097,946 188.338,947 37.287,948 78.934,950 63.93,951 188.338,952 67.055,953 113.097,955 0.573,956 0.344,957 0.199,958 0.114,959 19,960 7,961 0.048,962 2,963 1,964 1.091,965 3.526,966 195.198,967 0.091,968 22,969 96.042,974 14.279,975 6.051,976 2.704,978 67.055,979 15.483,984 3.001,987 368.489,988 34,993 12.397,996 4.108,997 0.111,999 39.371,1000 43.531,1001 0.293,1002 0.608,1003 0.709,1004 0.806,1005 0.864,1006 0.864,1007 4.787,1008 1.139,1009 5.659,1010 3.138,1011 4.29,1012 4.796,1013 2.353,1014 6.485,1015 4.203,1016 5.967,1017 1,1018 7.217,1019 2.708,1020 3.761,1021 4.443,1022 1.176,1023 7.413,1024 3.652,1025 7.262,1026 1,1027 8.884,1028 2.362,1029 5.878,1030 6.925,1031 2.853,1032 10.571,1033 5.716,1034 8.596,1035 0.936,1036 10.619,1037 2.136,1038 6.236,1039 7.449,1040 2.373,1041 12.371,1042 6.057,1043 9.967,1044 -0.029,1045 12.397,1046 2.136,1047 7.779,1048 9.369,1049 3.639,1050 15.027,1051 7.555,1052 11.365,1053 -0.491,1054 14.205,1055 -0.076,1056 8.558,1057 10.325,1058 3.574,1059 17.17,1060 8.316,1061 12.784,1062 -0.546,1063 16.033,1064 -1.281,1065 9.859,1066 11.99,1067 4.574,1068 19.658,1069 9.58,1070 3.22,1071 -0.76,1072 17.875,1073 -1.29,1074 10.837,1075 13.172,1076 4.746,1077 21.948,1078 10.538,1079 2.804,1080 11.241,1081 19.728,1082 -1.88,1083 12.04,1084 14.716,1085 5.58,1086 24.379,1087 11.71,1088 2.573,1089 9.13,1090 21.59,1091 4.235,1092 13.111,1093 16.016,1094 5.891,1095 26.734,1096 12.758,1097 2.008,1098 8.358,1099 23.459,1100 3.569,1101 14.278,1102 17.503,1103 6.622,1104 29.148,1105 13.897,1106 1.829,1107 5.74,1108 25.332,1109 3.161,1110 15.393,1111 18.867,1112 7.017,1113 31.533,1114 14.989,1115 1.504,1116 4.675,1117 27.211,1118 2.747,1119 16.548,1120 20.327,1121 7.682,1122 33.945,1123 16.118,1124 1.417,1125 3.737,1126 29.094,1127 2.146,1128 17.685,1129 21.726,1130 8.13,1131 36.345,1132 17.23,1133 5114,1134 8432,1135 18.087,1136 26.705,1137 39.395,1138 40.464,1139 39.289,1140 38.865,1141 38.858,1142 49.839,1143 8.682,1144 110.718,1145 37.114,1146 5.563,1147 5.745,1148 6.607,1149 5.309,1150 5.22,1151 7.235,1152 3.122,1153 18.616,1154 5.131,1155 5.635,1156 1.515,1157 1.556,1158 1.511,1159 1.495,1160 1.495,1161 1.917,1162 0.334,1163 4.258,1164 1.427,1165 4.042,1166 4.058,1167 4.006,1168 3.973,1169 7.431,1170 3.975,1171 3.825,1172 3.866,1173 3.757,1174 3.715,1175 4.94,1176 3.718,1177 3.734,1178 3.775,1179 3.632,1180 3.545,1181 4.728,1182 3.562,1183 3.369,1184 3.4,1185 3.309,1186 3.151,1187 4.602,1188 3.188,1189 3.111,1190 3.206,1191 2.958,1192 2.941,1193 4.427,1194 2.91,1195 3.02,1196 3.043,1197 2.866,1198 2.89,1199 3.86,1200 2.892,1201 2.858,1202 2.925,1203 2.754,1204 2.735,1205 3.677,1206 2.715,1207 2.854,1208 2.908,1209 2.687,1210 2.618,1211 3.674,1212 2.647,1213 0.175,1214 0.144,1215 0.262,1216 0.161,1217 0.124,1218 4.563,1219 0.163,1220 3.745,1221 0.066,1222 6.805,1223 0.432,1224 4.189,1225 0.12,1226 3.22,1227 4.235,1228 1.724,1229 11.241,1230 3.131,1231 1.998,1232 1.982,1233 2.081,1234 2.085,1235 1.211,1236 2.079,1237 1.788,1238 1.761,1239 1.927,1240 1.961,1241 1.182,1242 1.955,1243 1.686,1244 1.631,1245 1.877,1246 1.859,1247 0.954,1248 1.865,1249 1.255,1250 1.228,1251 1.513,1252 1.505,1253 0.825,1254 1.464,1255 1.153,1256 1.064,1257 1.351,1258 1.376,1259 0.347,1260 1.429,1261 0.984,1262 0.951,1263 1.181,1264 1.158,1265 0.287,1266 1.149,1267 0.886,1268 0.821,1269 1.174,1270 1.062,1271 0.218,1272 1.107,1273 0.77,1274 0.719,1275 1.061,1276 1.058,1277 0.193,1278 1.063,1279 3.97,1281 5.283,1283 6.821,1285 8.459,1287 10.149,1295 2.581,1297 11.37,1300 1.951,1305 25.875,1306 60.317,1307 125.376,1308 146.131,1309 166.131,1310 178.131,1311 178.131,1312 31.002,1313 7.334,1314 55.57,1315 55.57,1316 24,1317 12.473,1318 3.907,1319 3.17,1320 31.605,1321 68,1322 70,1323 0.228,1324 156.017,1325 275.97,1326 372.442,1327 14250,1329 15.648,1330 0.68,1331 0.546,1332 15.648,1333 12.566,1334 11.326,1335 0.436,1336 0.294,1337 7.523,1338 10.848,1339 7.412,1340 6.074,1341 11.326,1342 7.648,1343 9.927,1344 0.276,1345 0.151,1346 9.927,1347 5.449,1348 8.727,1349 0.175,1350 0.08,1351 8.727,1352 4.002,1353 7.627,1354 0.112,1355 0.041,1356 7.627,1357 2.812,1358 6.528,1359 0.072,1360 0.021,1361 6.528,1362 1.952,1363 0.343,1364 71.336,1365 0.235,1366 22.063,1367 0.672,1368 124,1369 384.497,1370 138.045,1371 362.148,1372 500.09,1373 342,1374 148,1375 370.179,1376 162.741,1377 370.514,1378 551.71,1379 350,1380 5.39}
{0 CHEMBL244672,1 1.574,2 12.214,3 2.456,4 6.034,5 106.444,6 6.938,7 0.194,8 4.134,9 4.255,10 3.651,11 3.547,12 5.116,13 3.547,14 4.75,15 4.953,16 4.003,17 3.943,18 5.707,19 3.926,20 4.963,21 5.172,22 4.078,23 4.13,24 5.884,25 4.074,26 5.065,27 5.3,28 3.972,29 4.112,30 6.001,31 4.014,32 4.997,33 5.266,34 3.863,35 3.985,36 5.876,37 3.89,38 4.79,39 5.007,40 3.797,41 3.891,42 5.814,43 3.821,44 4.72,45 4.923,46 3.754,47 3.935,48 5.677,49 3.838,50 4.842,51 5.082,52 3.645,53 3.922,54 5.666,55 3.793,56 0.033,57 0.819,58 13.121,59 4.844,60 5.327,61 6.976,62 0.561,63 1.283,64 27.022,65 7.428,66 32.547,67 11.336,68 0.537,69 1.514,70 33.254,71 10.36,72 31.998,73 15.189,74 0.768,75 1.507,76 37.918,77 11.479,78 59.365,79 17.073,80 0.697,81 1.36,82 36.047,83 10.036,84 50.285,85 15.581,86 0.731,87 1.182,88 28.842,89 8.436,90 59.046,91 12.339,92 0.417,93 1.196,94 25.634,95 9.166,96 39.305,97 13.046,98 0.373,99 1.232,100 29.715,101 9.758,102 35.04,103 14.406,104 10,105 43,106 0.262,107 0.508,108 0.693,109 0.785,110 0.809,111 0.809,112 3.374,113 0.96,114 -3,115 -3,116 -2.9,119 35.7,120 1,124 1,125 10,142 2,143 2,144 2,158 1,159 1,172 3,174 4,175 6,183 3,186 3,187 6,195 3,198 3,199 8,207 1,211 2,212 6,223 4,224 3,236 2,237 3,250 4,262 4,263 3,275 1268,276 19.068,277 19.068,278 19.068,279 19.068,280 19.068,281 17.989,282 27.824,283 11.297,284 19.842,285 15.293,286 15.293,287 15.293,288 15.293,289 15.293,290 13.525,291 35.182,292 5.385,293 16.51,294 4.233,295 2.761,296 1.649,297 1.098,298 0.956,299 0.956,300 4.074,304 1,305 1,306 747,307 2.739,311 332.907,315 125.273,318 1.929,319 28.841,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 62,331 342,332 4.559,333 3.752,334 6.767,335 4.176,336 3.213,337 4.237,338 1.724,339 11.029,340 3.1,341 4.058,342 3.241,343 6.139,344 3.701,345 2.786,346 3.427,347 1.009,348 9.017,349 2.558,350 3.754,351 3.194,352 5.91,353 3.54,354 2.62,355 2.985,356 0.86,357 8.075,358 2.41,359 3.616,360 2.947,361 5.412,362 3.463,363 2.494,364 2.618,365 0.86,366 7.153,367 2.387,368 3.247,369 2.61,370 5.099,371 3.022,372 2.114,373 2.433,374 0.8,375 5.769,376 1.917,377 3.099,378 2.475,379 4.888,380 2.847,381 1.918,382 2.107,383 0.8,384 5.666,385 1.767,386 3.025,387 2.371,388 4.543,389 2.697,390 1.801,391 2.078,392 0.65,393 4.663,394 1.607,395 2.74,396 1.822,397 4.107,398 2.334,399 1.355,400 1.745,401 0.097,402 3.364,403 1.314,404 2.26,405 1.784,406 3.58,407 2.109,408 1.201,409 1.249,411 2.733,412 1.081,413 2.216,414 1.533,415 3.473,416 1.967,417 1.066,418 1.164,420 2.533,421 0.965,422 2,423 1.256,424 3.414,425 1.952,426 1,427 1,428 2.275,429 0.946,430 2,431 1.146,432 3.247,433 1.944,434 1,435 1,436 2.136,437 0.927,438 1.561,439 1.042,440 3.036,441 1.318,442 0.387,443 0.422,445 0.934,446 0.357,447 1.374,448 0.612,449 2.815,450 0.995,451 0.045,452 0.052,454 0.11,455 0.042,456 0.977,457 0.278,458 2.66,459 0.765,460 -0.199,461 -0.227,463 -0.465,464 -0.189,465 12.933,466 0.462,467 0.644,468 0.023,469 30,470 1.071,471 10,472 0.357,473 20,474 0.714,475 26.827,476 0.958,477 32.667,478 0.583,479 22.787,480 0.814,481 6.126,482 0.219,483 7.488,484 0.267,485 0.103,487 0.325,493 0.841,494 1.807,495 0.815,496 1.456,497 0.607,498 1.172,499 1.188,500 0.932,501 0.953,502 0.822,503 0.668,504 0.818,505 1.078,506 1.057,507 1.016,508 1.079,509 0.746,510 1.034,511 1.025,512 1.101,513 1.013,514 1.099,515 0.94,516 1.069,517 0.997,518 0.884,519 0.855,520 0.843,521 0.978,522 0.822,523 1.249,524 0.867,525 1.099,526 0.903,527 1.878,528 0.966,529 0.834,530 1.161,531 1.076,532 1.252,533 1.212,534 1.224,535 0.959,536 1.203,537 1.089,538 1.259,539 0.905,540 1.217,541 5,542 0.132,543 3.333,544 1.563,545 1.622,546 1.056,547 0.59,548 0.358,549 0.225,550 0.178,551 10541,552 24578,553 2.115,554 50,555 3,556 25,564 1.708,565 2,566 3.551,567 -0.707,568 1,569 1,573 88.167,574 1.574,575 3.046,576 4.159,577 4.709,578 4.852,579 4.852,580 3.071,581 4.138,582 4.775,583 3.712,584 1403.04,585 8.294,586 18727,588 1,590 1,591 325.212,592 1.333,593 4.748,594 0.161,595 0.007,596 0.078,597 0.035,598 0.043,599 0.03,600 0.018,601 0.011,602 0.008,603 0.008,604 0.398,605 0.33,606 1,607 0.517,608 141.702,609 -0.018,610 -0.472,611 0.098,612 -0.243,613 0.005,614 -0.079,615 -0.053,616 0.226,617 0.052,618 0.163,619 0.08,620 0.139,621 -0.053,622 0.037,623 -0.039,624 -0.045,625 0.037,626 -0.036,627 0.05,628 -0.14,629 -0.024,630 -0.095,631 0.073,632 -0.079,633 0.025,634 0.03,635 0.144,636 0.1,637 0.032,638 0.142,639 -0.02,640 0.15,641 -0.086,642 0.089,643 -0.121,644 0.001,645 0.035,646 -0.078,647 -0.139,648 -0.145,649 -0.039,650 -0.172,651 -0.083,652 -0.224,653 -0.137,654 -0.218,655 -0.105,656 -0.194,657 1.935,658 5.472,659 0.786,660 29.806,661 1.006,662 1.14,663 1.774,664 3.146,665 0.625,666 3.466,667 3.784,668 4.06,669 4.304,670 4.575,671 4.625,672 4.754,673 4.836,674 4.977,675 5.03,676 6.976,677 0.594,678 388.52,679 3.466,680 5.004,681 5.855,682 6.727,683 7.596,684 8.476,685 9.354,686 10.238,687 11.122,688 12.01,689 7.1,692 3,698 1,704 2,709 4,711 6,729 2,731 56,733 8,734 1,735 31,737 59,738 20,739 6,740 4,741 2,742 2,746 4,747 5,752 1,761 8,762 12,766 2,771 1,774 1,775 2,778 1,781 28,782 8,784 8,790 4,794 0.75,795 4,812 4,816 1,836 3,839 1,840 3,844 2,848 28,854 10,856 3,859 3,870 7.1,873 1,874 1,875 2,877 14,878 10.633,879 6.139,880 3.494,881 1.653,882 1.216,883 0.958,884 6.162,885 9.311,886 3.611,887 4.103,888 4.603,889 5.084,890 5.587,891 5.859,892 6.159,893 6.4,894 6.688,895 6.804,896 1,897 45,898 10.435,900 4.41,901 7.625,902 20.321,904 16.704,905 2.125,906 59.5,909 1,910 329.591,911 90.64,912 26.158,914 58.145,917 90.64,918 387.735,919 26.158,920 17.222,921 28.517,922 18.952,923 40.849,924 65.016,925 4.386,926 329.591,928 329.591,929 116.798,930 58.145,933 329.591,934 47.145,935 11,937 63.501,938 53.297,941 329.591,942 84.303,943 90.64,946 329.591,947 54.466,948 45.547,950 74.93,951 329.591,952 84.303,953 90.64,955 0.581,956 0.341,957 0.18,958 0.103,959 21,960 9,961 0.085,962 5,963 1,964 1.091,965 4.045,966 241.685,967 0.091,968 22,969 126.606,974 19.645,975 8.783,976 4.514,978 84.303,979 3.587,984 2.633,987 504.534,988 36,993 12.472,996 4.122,997 0.091,999 56.32,1000 63.813,1001 0.271,1002 0.525,1003 0.716,1004 0.811,1005 0.835,1006 0.835,1007 4.879,1008 1.355,1009 5.832,1010 4.663,1011 4.466,1012 4.787,1013 2.633,1014 6.632,1015 4.327,1016 6.034,1017 1.201,1018 7.385,1019 3.364,1020 4.007,1021 4.575,1022 1.389,1023 7.513,1024 3.831,1025 7.323,1026 1.066,1027 9.039,1028 2.733,1029 6.047,1030 6.831,1031 2.963,1032 10.624,1033 5.791,1034 8.644,1035 1,1036 10.754,1037 2.533,1038 6.415,1039 7.486,1040 2.429,1041 12.347,1042 6.138,1043 10.005,1044 1,1045 12.509,1046 2.275,1047 7.913,1048 9.247,1049 3.674,1050 14.983,1051 7.565,1052 11.391,1053 0.387,1054 14.292,1055 2.136,1056 8.675,1057 10.308,1058 3.585,1059 17.067,1060 8.313,1061 12.799,1062 0.045,1063 16.096,1064 0.934,1065 9.951,1066 11.879,1067 4.583,1068 19.541,1069 9.532,1070 3.213,1071 -0.199,1072 17.915,1073 0.11,1074 10.908,1075 13.133,1076 4.748,1077 21.789,1078 10.473,1079 2.786,1080 11.029,1081 19.747,1082 -0.465,1083 12.094,1084 14.628,1085 5.582,1086 24.206,1087 11.615,1088 2.62,1089 9.017,1090 21.589,1091 4.237,1092 13.148,1093 15.976,1094 5.891,1095 26.531,1096 12.649,1097 2.494,1098 8.075,1099 23.441,1100 3.427,1101 14.303,1102 17.438,1103 6.622,1104 28.929,1105 13.768,1106 2.114,1107 7.153,1108 25.299,1109 2.985,1110 15.405,1111 18.832,1112 7.017,1113 31.29,1114 14.847,1115 1.918,1116 5.769,1117 27.164,1118 2.618,1119 16.552,1120 20.282,1121 7.682,1122 33.684,1123 15.962,1124 1.801,1125 5.666,1126 29.034,1127 2.433,1128 17.679,1129 21.699,1130 8.13,1131 36.063,1132 17.064,1133 9940,1134 15398,1135 20.978,1136 34.978,1137 46.502,1138 47.699,1139 47.185,1140 46.027,1141 45.998,1142 53.037,1143 13.602,1144 130.912,1145 42.755,1146 5.559,1147 5.752,1148 6.569,1149 5.298,1150 5.213,1151 7.237,1152 3.122,1153 18.412,1154 5.1,1155 11.872,1156 1.5,1157 1.539,1158 1.522,1159 1.485,1160 1.484,1161 1.711,1162 0.439,1163 4.223,1164 1.379,1165 4.013,1166 4.031,1167 3.98,1168 3.903,1169 7.431,1170 3.917,1171 3.845,1172 3.92,1173 3.727,1174 3.639,1175 4.943,1176 3.65,1177 3.768,1178 3.819,1179 3.667,1180 3.55,1181 4.682,1182 3.571,1183 3.495,1184 3.548,1185 3.406,1186 3.263,1187 4.566,1188 3.286,1189 3.368,1190 3.423,1191 3.24,1192 3.152,1193 4.393,1194 3.166,1195 3.168,1196 3.241,1197 3.021,1198 2.996,1199 4.19,1200 2.992,1201 3.111,1202 3.206,1203 2.891,1204 2.941,1205 3.928,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.871,1212 2.91,1213 0.147,1214 0.121,1215 0.218,1216 0.135,1217 0.104,1218 4.559,1219 0.137,1220 3.752,1221 0.056,1222 6.767,1223 0.356,1224 4.176,1225 0.1,1226 3.213,1227 4.237,1228 1.724,1229 11.029,1230 3.1,1231 1.934,1232 1.922,1233 2.021,1234 2.069,1235 1.318,1236 2.05,1237 1.788,1238 1.713,1239 1.993,1240 2.021,1241 1.2,1242 2.017,1243 1.696,1244 1.639,1245 1.907,1246 1.93,1247 1.145,1248 1.926,1249 1.43,1250 1.369,1251 1.706,1252 1.69,1253 0.967,1254 1.694,1255 1.295,1256 1.244,1257 1.56,1258 1.545,1259 0.825,1260 1.533,1261 1.159,1262 1.096,1263 1.513,1264 1.408,1265 0.825,1266 1.444,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.621,1272 1.429,1273 1.153,1274 1.064,1275 1.505,1276 1.376,1277 0.619,1278 1.429,1279 4.143,1281 5.46,1283 6.982,1285 8.599,1287 10.268,1289 4.083,1295 8.389,1297 17.419,1300 6.703,1305 33.266,1306 88.167,1307 170.594,1308 232.889,1309 263.702,1310 271.702,1311 271.702,1312 45.476,1313 7.658,1314 71.28,1315 71.28,1316 24,1317 12.541,1318 3.17,1319 2.585,1320 42.574,1321 116,1322 132,1323 0.177,1324 201.569,1325 360.18,1326 483.588,1327 23109,1329 19.51,1330 0.697,1331 0.595,1332 19.51,1333 16.648,1334 13.614,1335 0.439,1336 0.32,1337 9.699,1338 12.785,1339 9.468,1340 7.752,1341 13.614,1342 9.925,1343 12.188,1344 0.283,1345 0.173,1346 12.188,1347 7.46,1348 10.459,1349 0.183,1350 0.097,1351 10.459,1352 5.52,1353 8.501,1354 0.116,1355 0.05,1356 8.501,1357 3.637,1358 7.165,1359 0.075,1360 0.027,1361 7.165,1362 2.575,1363 0.282,1364 87.28,1365 0.218,1366 27.013,1367 0.477,1368 148,1369 461.523,1370 169.418,1371 422.361,1372 575.63,1373 400,1374 174,1375 417.507,1376 197.169,1377 413.979,1378 615.1,1379 388,1380 4}
{0 CHEMBL24828,1 1.715,2 12.633,3 5.087,4 25.882,5 118.666,6 8.804,7 0.515,8 4.096,9 4.21,10 3.809,11 3.624,12 5.183,13 3.608,14 4.654,15 4.831,16 4.207,17 4.022,18 5.692,19 3.985,20 4.896,21 5.087,22 4.303,23 4.185,24 5.942,25 4.112,26 5,27 5.239,28 4.249,29 4.119,30 5.993,31 4.028,32 4.9,33 5.149,34 4.082,35 4.02,36 5.885,37 3.947,38 4.725,39 4.904,40 4.108,41 4.046,42 5.806,43 3.985,44 4.877,45 5.093,46 4.17,47 4.064,48 5.938,49 3.991,50 4.807,51 5.035,52 4.136,53 4.001,54 5.805,55 3.888,56 0.058,57 0.853,58 9.037,59 4.983,60 7.077,61 6.16,62 0.356,63 1.361,64 21.772,65 8.436,66 26.488,67 10.434,68 0.51,69 1.694,70 35.268,71 11.548,72 40.534,73 14.399,74 0.653,75 1.701,76 43.941,77 12.799,78 59.27,79 16.162,80 0.799,81 1.495,82 35.628,83 10.733,84 59.961,85 14.498,86 0.337,87 1.441,88 25.124,89 9.744,90 30.079,91 12.223,92 0.614,93 1.604,94 31.754,95 10.393,96 58.941,97 13.134,98 0.6,99 1.394,100 30.973,101 10.363,102 50.053,103 13.272,104 18,105 46,106 0.284,107 0.627,108 0.815,109 0.857,110 0.857,111 0.857,112 3.44,113 0.972,114 -5,115 -4.9,116 -4.6,117 1,119 40.7,121 2,122 1,124 2,125 3,142 5,143 1,144 5,146 1,147 1,148 1,172 4,174 1,175 8,178 1,180 2,183 5,186 1,187 8,192 3,195 3,198 1,199 3,202 1,204 1,207 2,211 3,212 3,215 1,217 1,220 6,223 1,224 4,227 1,232 6,237 7,245 5,249 1,250 5,255 1,258 1,262 1,263 6,268 2,271 1,275 1484,276 20.334,277 20.334,278 20.334,279 20.334,280 20.334,281 18.245,282 25.914,283 11.895,284 21.132,285 16.224,286 16.224,287 16.224,288 16.224,289 16.224,290 13.028,291 33.11,292 5.597,293 17.491,294 4.04,295 1.974,296 0.836,297 0.584,298 0.584,299 0.584,300 4.138,304 1,305 1,306 819,307 3,311 348.882,315 134.1,318 2.233,319 30.309,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.25,331 379,332 4.577,333 3.313,334 6.59,335 4.104,336 3.14,337 4.513,338 0.86,339 10.547,340 3.026,341 4.234,342 3.216,343 6.11,344 3.801,345 2.862,346 3.883,347 0.86,348 8.93,349 2.672,350 3.982,351 2.915,352 5.997,353 3.611,354 2.661,355 3.488,356 0.8,357 8.482,358 2.542,359 3.609,360 2.799,361 5.409,362 3.515,363 2.568,364 2.875,365 0.4,366 7.143,367 2.41,368 3.511,369 2.673,370 5.198,371 3.04,372 2.153,373 2.699,375 6.281,376 1.941,377 3.362,378 2.419,379 4.937,380 3.024,381 2.096,382 2.613,384 5.707,385 1.905,386 3.116,387 2.205,388 4.89,389 2.861,390 1.952,391 2.242,393 5.661,394 1.659,395 2.99,396 2.025,397 4.529,398 2.534,399 1.615,400 2.087,402 4.533,403 1.464,404 2.833,405 1.708,406 4.133,407 2.359,408 1.417,409 1.965,411 3.629,412 1.323,413 2.678,414 1.47,415 3.903,416 2.238,417 1.34,418 1.732,420 3.135,421 1.195,422 2,423 1.099,424 3.414,425 1.984,426 1,427 1,428 2.275,429 0.983,430 1.955,431 1.077,432 3.32,433 1.667,434 0.754,435 0.877,436 1.833,437 0.678,438 1.692,439 0.971,440 3.08,441 1.434,442 0.553,443 0.608,445 1.132,446 0.478,447 1.551,448 0.682,449 2.844,450 1.186,451 0.308,452 0.373,454 0.625,455 0.25,456 1.121,457 0.23,458 2.683,459 0.85,460 -0.085,461 -0.091,463 -0.18,464 -0.078,465 14.886,466 0.496,467 0.729,468 0.024,469 37.5,470 1.25,471 17.5,472 0.583,473 20,474 0.667,475 28.331,476 0.944,477 32.514,478 0.602,479 27.054,480 0.902,481 7.11,482 0.237,483 7.419,484 0.247,485 0.176,487 0.329,491 1,493 0.754,494 1.279,495 0.508,496 0.997,497 0.576,498 0.951,499 1.046,500 0.917,501 0.585,502 0.751,503 0.653,504 0.796,505 0.926,506 1.124,507 0.889,508 1.07,509 0.799,510 1.065,511 1.022,512 1.025,513 0.635,514 0.948,515 0.935,516 0.96,517 0.927,518 0.675,519 0.343,520 0.601,521 0.73,522 0.688,523 0.887,524 1.163,525 0.625,526 1.044,527 0.782,528 1.063,529 1.274,530 1.001,531 0.571,532 0.854,533 1.163,534 0.959,535 0.933,536 0.935,537 0.725,538 0.89,539 0.809,540 1.007,541 6.5,542 0.148,543 3.556,544 1.5,545 2.053,546 0.958,547 0.647,548 0.592,549 0.431,550 0.214,551 12191,552 34433,553 2.087,554 44.4,556 17,558 1,559 1,561 5,564 1.728,565 1.957,566 3.589,567 -0.316,573 92.617,574 1.715,575 3.781,576 4.919,577 5.171,578 5.171,579 5.171,580 3.095,581 4.282,582 4.873,583 3.754,584 1632.89,585 8.504,586 22764.7,591 310.764,592 1.4,593 4.839,594 0.197,595 0.007,596 0.077,597 0.031,598 0.05,599 0.023,600 0.015,601 0.015,602 0.013,603 0.008,604 0.437,605 0.33,606 0.88,607 0.715,608 154.829,609 -0.037,610 -0.203,611 0.01,612 -0.088,613 -0.007,614 -0.023,615 -0.104,616 0.085,617 0.031,618 0.134,619 0.039,620 0.121,621 0.025,622 -0.119,623 -0.05,624 -0.115,625 0.066,626 -0.107,627 0.011,628 -0.089,629 0.051,630 -0.045,631 0.034,632 0.005,633 0.12,634 0.188,635 0.104,636 0.232,637 0.093,638 0.261,639 0.017,640 -0.167,641 -0.035,642 -0.135,643 0.04,644 -0.112,645 -0.132,646 0.013,647 0.007,648 0.016,649 -0.076,650 -0.033,651 0.026,652 -0.014,653 0.033,654 0.025,655 0.012,656 -0.047,657 2.041,658 6.264,659 0.733,660 33.431,661 1.01,662 1.133,663 3.771,664 14.22,665 0.678,666 3.526,667 3.85,668 4.111,669 4.357,670 4.644,671 4.7,672 4.796,673 4.963,674 5.124,675 5.153,676 7.163,677 0.643,678 475.4,679 3.526,680 5.069,681 5.916,682 6.79,683 7.656,684 8.534,685 9.408,686 10.289,687 11.167,688 12.051,689 7.4,692 1,697 1,699 2,703 2,704 6,705 2,709 6,711 17,724 1,729 2,730 2,731 54,733 17,734 2,735 33,736 1,737 57,738 22,739 14,740 7,741 5,746 4,747 5,755 2,756 1,758 2,761 14,762 8,763 1,779 1,781 24,782 7,783 1,784 8,785 1,790 4,794 0.75,795 2,806 1,812 4,816 1,836 1,840 3,843 1,844 2,846 1,848 30,854 5,855 1,856 2,858 1,859 1,869 2,870 3.7,875 2,877 15.333,878 10.302,879 6.611,880 3.191,881 3.402,882 1.434,883 0.984,884 6.714,885 11.247,886 3.75,887 4.357,888 4.936,889 5.52,890 6.139,891 6.448,892 6.827,893 7.277,894 7.715,895 7.887,896 0.889,897 48,898 11.116,900 4.707,901 7.714,902 21.322,904 17.465,905 2.214,906 66.417,910 270.735,911 121.617,912 100.66,914 22,915 14.96,917 167.571,918 292.735,919 69.666,920 19.279,921 13.873,922 47.381,923 45.342,924 81.89,925 17.288,926 258.964,927 45.954,928 270.735,929 176.323,930 36.96,932 45.954,933 226.84,934 80.855,937 45.771,938 96.981,939 33.571,940 45.954,941 285.695,942 76.706,943 167.571,946 270.735,947 46.338,948 78.404,949 63.965,950 70.531,951 270.735,952 91.666,953 167.571,955 0.582,956 0.339,957 0.179,958 0.105,959 22,960 10,961 0.105,962 6,963 1,964 1.091,965 4.147,966 266.994,967 0.091,968 22,969 143.207,974 21.29,975 9.461,976 5.045,977 1.424,978 91.666,979 9.969,980 8.662,984 2.39,986 18.011,987 529.972,988 41.5,999 54.523,1000 61.161,1001 0.298,1002 0.657,1003 0.855,1004 0.899,1005 0.899,1006 0.899,1007 4.992,1008 1.615,1009 5.9,1010 5.661,1011 4.533,1012 5.043,1013 1.656,1014 6.693,1015 4.393,1016 6.191,1017 1.417,1018 7.449,1019 4.533,1020 4.111,1021 4.902,1022 0.325,1023 7.545,1024 3.884,1025 7.497,1026 1.34,1027 9.094,1028 3.629,1029 6.116,1030 7.263,1031 1.308,1032 10.62,1033 5.877,1034 8.837,1035 1,1036 10.793,1037 3.135,1038 6.479,1039 7.943,1040 0.268,1041 12.28,1042 6.17,1043 10.209,1044 0.754,1045 12.528,1046 2.275,1047 7.958,1048 9.807,1049 1.064,1050 14.876,1051 7.635,1052 11.604,1053 0.553,1054 14.287,1055 1.833,1056 8.696,1057 10.89,1058 0.188,1059 16.895,1060 8.317,1061 13.017,1062 0.308,1063 16.065,1064 1.132,1065 9.957,1066 12.544,1067 0.862,1068 19.32,1069 9.556,1070 3.14,1071 -0.085,1072 17.857,1073 0.625,1074 10.883,1075 13.831,1076 0.125,1077 21.507,1078 10.435,1079 2.862,1080 10.547,1081 19.661,1082 -0.18,1083 12.051,1084 15.391,1085 0.69,1086 23.87,1087 11.577,1088 2.661,1089 8.93,1090 21.475,1091 4.513,1092 13.072,1093 16.782,1094 0.082,1095 26.137,1096 12.555,1097 2.568,1098 8.482,1099 23.296,1100 3.883,1101 14.203,1102 18.302,1103 0.544,1104 28.48,1105 13.657,1106 2.153,1107 7.143,1108 25.125,1109 3.488,1110 15.273,1111 19.745,1112 0.054,1113 30.786,1114 14.688,1115 2.096,1116 6.281,1117 26.959,1118 2.875,1119 16.392,1120 21.249,1121 0.424,1122 33.126,1123 15.776,1124 1.952,1125 5.707,1126 28.798,1127 2.699,1128 17.487,1129 22.72,1130 0.035,1131 35.451,1132 16.835,1133 11623,1134 19846,1135 22.076,1136 36.597,1137 48.972,1138 49.994,1139 50.647,1140 49.003,1141 48.839,1142 61.91,1143 5.84,1144 139.826,1145 45.051,1146 5.577,1147 5.313,1148 6.117,1149 5.183,1150 5.14,1151 7.513,1152 1.72,1153 17.498,1154 5.026,1155 14.814,1156 1.484,1157 1.515,1158 1.535,1159 1.485,1160 1.48,1161 1.876,1162 0.177,1163 4.237,1164 1.365,1165 4.081,1166 4.109,1167 6.88,1168 3.98,1169 8.201,1170 3.993,1171 3.887,1172 3.934,1173 4.05,1174 3.836,1175 5.1,1176 3.824,1177 3.868,1178 3.907,1179 3.771,1180 3.724,1181 4.764,1182 3.719,1183 3.5,1184 3.54,1185 3.741,1186 3.278,1187 4.65,1188 3.312,1189 3.344,1190 3.42,1191 3.435,1192 3.11,1193 4.483,1194 3.114,1195 3.183,1196 3.255,1197 3.183,1198 2.986,1199 4.319,1200 2.98,1201 3.111,1202 3.206,1203 3.022,1204 2.941,1205 4.12,1206 2.91,1207 3.061,1208 3.135,1209 2.882,1210 2.873,1211 4.03,1212 2.855,1213 0.139,1214 0.1,1215 0.2,1216 0.124,1217 0.095,1218 4.577,1219 0.137,1220 3.313,1221 0.026,1222 6.59,1223 0.32,1224 4.104,1225 0.092,1226 3.14,1227 4.513,1228 0.86,1229 10.547,1230 3.026,1231 2.006,1232 1.985,1233 2.076,1234 2.128,1235 1.444,1236 2.109,1237 1.861,1238 1.839,1239 2.039,1240 2.028,1241 1.181,1242 2.041,1243 1.842,1244 1.788,1245 1.91,1246 1.94,1247 1.044,1248 1.941,1249 1.397,1250 1.352,1251 1.647,1252 1.661,1253 0.843,1254 1.646,1255 1.303,1256 1.224,1257 1.592,1258 1.576,1259 0.825,1260 1.587,1261 1.153,1262 1.069,1263 1.513,1264 1.412,1265 0.587,1266 1.429,1267 1.143,1268 1.064,1269 1.425,1270 1.376,1271 0.541,1272 1.428,1273 1.005,1274 0.937,1275 1.328,1276 1.241,1277 0.398,1278 1.28,1279 4.205,1281 5.525,1283 7.045,1285 8.656,1287 10.315,1288 3.268,1289 3.754,1291 14.264,1295 5.092,1296 3.053,1297 11.67,1299 0.532,1300 2.34,1305 34.718,1306 92.617,1307 204.158,1308 265.645,1309 279.254,1310 279.254,1311 279.254,1312 53.656,1313 7.845,1314 59.51,1315 59.51,1316 24,1317 12.585,1318 4.17,1319 3.248,1320 47.065,1321 129,1322 142,1323 0.179,1324 217.091,1325 372.83,1326 521.462,1327 29174,1328 3.7,1329 21.087,1330 0.703,1331 0.619,1332 21.217,1333 18.577,1334 14.529,1335 0.44,1336 0.324,1337 9.757,1338 13.258,1339 9.456,1340 7.827,1341 14.696,1342 10.687,1343 13.109,1344 0.285,1345 0.184,1346 13.396,1347 8.465,1348 11.028,1349 0.184,1350 0.099,1351 11.162,1352 5.911,1353 8.937,1354 0.116,1355 0.051,1356 8.796,1357 3.924,1358 7.643,1359 0.074,1360 0.029,1361 7.975,1362 2.944,1363 0.283,1364 100.45,1365 0.213,1366 28.486,1367 0.489,1368 158,1369 519.505,1370 241.478,1371 505.9,1372 674.14,1373 474,1374 185,1375 462.01,1376 232.1,1377 475.659,1378 694.84,1379 444,1380 5}
{0 CHEMBL249697,1 1.437,2 7.316,3 1.761,4 3.1,5 76.664,6 7.093,7 0.714,8 3.69,9 3.839,10 3.224,11 3.19,12 4.767,13 3.172,14 4.205,15 4.411,16 3.589,17 3.567,18 5.202,19 3.531,20 4.386,21 4.615,22 3.648,23 3.681,24 5.395,25 3.624,26 4.446,27 4.695,28 3.586,29 3.681,30 5.378,31 3.609,32 4.341,33 4.568,34 3.465,35 3.618,36 5.314,37 3.534,38 4.36,39 4.611,40 3.224,41 3.548,42 5.303,43 3.415,44 4.271,45 4.552,46 2.73,47 3.342,48 5.081,49 3.119,50 4.082,51 4.442,52 2.203,53 2.933,54 4.749,55 2.65,56 0.039,57 0.587,58 7.979,59 2.761,60 7.893,61 4.178,62 0.141,63 0.905,64 14.364,65 4.628,66 14.081,67 7.141,68 0.278,69 1.037,70 17.776,71 5.514,72 24.113,73 8.461,74 0.179,75 1.047,76 19.171,77 5.597,78 21.424,79 9.019,80 0.184,81 0.966,82 16.879,83 5.178,84 20.287,85 8.103,86 0.242,87 0.914,88 17.665,89 5.385,90 25.449,91 8.387,92 0.123,93 0.74,94 16.434,95 5.646,96 19.862,97 8.709,98 0.137,99 0.509,100 14.76,101 4.658,102 20.489,103 7.463,104 13,105 30,106 0.261,107 0.653,108 0.786,109 0.86,110 0.86,111 0.86,112 3.013,113 0.913,114 -2.81,115 -2.82,116 -2.73,119 38.9,120 2,125 2,142 3,143 1,145 1,146 1,147 1,152 2,161 1,163 1,164 1,165 1,172 4,174 1,175 3,178 1,183 4,186 2,187 5,190 2,191 1,194 1,195 2,199 4,204 1,207 1,212 4,214 1,215 1,217 3,220 2,224 2,226 2,227 2,229 1,232 2,242 2,247 1,255 3,260 3,268 1,273 1,275 358,276 12.939,277 12.939,278 12.939,279 12.939,280 12.939,281 11.187,282 12.293,283 7.685,284 13.229,285 10.341,286 10.341,287 10.341,288 10.341,289 10.341,290 7.647,291 14.709,292 3.61,293 10.859,294 3.733,295 1.576,296 0.841,297 0.431,298 0.431,299 0.431,300 3.69,303 1,304 1,305 1,306 296,307 2.55,310 28.063,311 70.074,314 51.709,315 59.623,318 1.208,319 11.761,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 40.5,331 139,332 4.786,333 3.354,334 6.991,335 4.251,336 3.312,337 4.874,338 0.4,339 11.909,340 3.111,341 4.078,342 2.707,343 6.007,344 3.594,345 2.62,346 3.81,348 8.489,349 2.547,350 3.766,351 2.562,352 5.683,353 3.331,354 2.395,355 3.245,357 7.507,358 2.241,359 3.47,360 2.232,361 4.957,362 3.054,363 2.07,364 2.848,366 5.788,367 2.034,368 3.011,369 1.764,370 4.602,371 2.535,372 1.573,373 2.238,375 4.435,376 1.511,377 2.685,378 1.614,379 4.164,380 2.463,381 1.515,382 1.722,384 3.518,385 1.433,386 2.353,387 1.213,388 3.691,389 2.02,390 1.083,391 1.329,393 2.338,394 1.012,395 2.33,396 0.835,397 3.385,398 1.776,399 0.832,400 1.246,402 2.164,403 0.784,404 1.567,405 0.603,406 2.86,407 1.269,408 0.345,409 0.397,411 0.647,412 0.318,413 1.128,414 0.14,415 2.632,416 0.842,417 -0.11,418 -0.133,420 -0.219,421 -0.104,422 0.994,423 -0.179,424 2.344,425 0.555,426 -0.4,427 -0.522,428 -1.034,429 -0.381,430 0.575,431 -0.498,432 2.288,433 0.218,434 -0.737,435 -0.87,436 -1.65,437 -0.703,438 0.439,439 -0.809,440 2,441 0.066,442 -0.916,443 -1.245,445 -2.54,446 -0.896,447 0.13,448 -1.011,449 1.818,450 -0.204,451 -1.164,452 -1.381,454 -2.702,455 -1.116,456 -0.011,457 -1.169,458 1.478,459 -0.287,460 -1.265,461 -1.761,463 -3.54,464 -1.233,465 9,466 0.474,467 0.469,468 0.025,469 25.5,470 1.342,471 12.5,472 0.658,473 13,474 0.684,475 13.699,476 0.721,477 20.4,478 0.567,479 16.112,480 0.848,481 5.03,482 0.265,483 4.173,484 0.22,485 0.156,487 0.378,493 1.113,494 1.453,495 0.855,496 1.086,497 1.211,498 0.96,499 0.936,500 1.179,501 0.767,502 0.929,503 0.815,504 0.842,505 0.988,506 0.882,507 0.914,508 0.865,509 0.84,510 0.877,511 1.231,512 1.109,513 0.933,514 0.908,515 0.972,516 0.885,517 1.295,518 1.12,519 1.167,520 1.087,521 0.894,522 1.106,523 1.327,524 0.962,525 1.374,526 1.16,527 1.207,528 1.255,529 0.85,530 1.2,531 1.306,532 1.436,533 1.055,534 1.433,535 0.595,536 0.749,537 0.823,538 0.876,539 0.826,540 0.88,541 3.5,543 2.222,544 1.375,545 1.454,546 0.656,547 0.418,548 0.174,549 0.057,550 0.036,551 2834,552 6570,553 2.081,554 47.2,555 3,556 7,558 1,559 3,560 3,564 1.611,565 1.932,566 2.825,567 1.148,569 1,571 1,573 51.718,574 1.437,575 3.594,576 4.329,577 4.739,578 4.739,579 4.739,580 2.479,581 3.827,582 4.213,583 2.931,584 501.252,585 7.219,586 4721,587 1,588 1,590 1,591 186.117,592 1.462,593 4.171,594 0.167,596 0.074,597 0.044,598 0.05,599 0.026,600 0.023,601 0.019,602 0.011,603 0.018,604 0.433,605 0.67,606 1,607 1.315,608 79.957,609 -0.109,610 -0.209,611 0.048,612 -0.032,613 -0.217,614 0.019,615 0.126,616 -0.054,617 0.181,618 0.071,619 0.063,620 0.124,621 0.179,622 0.219,623 0.055,624 0.096,625 0.072,626 0.064,627 -0.146,628 -0.077,629 0.041,630 0.052,631 -0.075,632 0.069,633 -0.202,634 -0.031,635 -0.214,636 -0.116,637 -0.036,638 -0.158,639 -0.233,640 0.075,641 -0.411,642 -0.21,643 -0.202,644 -0.315,645 -0.11,646 -0.311,647 -0.358,648 -0.435,649 -0.137,650 -0.43,651 0.116,652 -0.049,653 0.189,654 0.085,655 0.185,656 0.137,657 0.931,658 1.645,659 0.684,660 12.554,661 0.995,662 1.138,663 1.582,664 2.504,665 0.655,666 3.091,667 3.434,668 3.761,669 4.111,670 4.394,671 4.511,672 4.625,673 4.718,674 4.635,675 4.419,676 4.312,677 0.619,678 255.36,679 3.091,680 4.635,681 5.509,682 6.418,683 7.324,684 8.245,685 9.162,686 10.086,687 11.007,688 11.933,689 13.9,690 1,694 1,697 1,699 2,703 3,704 4,705 2,709 3,711 15,724 1,731 36,733 15,734 1,735 21,737 38,738 14,739 10,740 3,741 3,746 3,747 6,752 3,761 10,762 4,778 1,781 17,782 4,783 3,784 5,787 1,790 5,794 0.333,802 1,811 1,812 2,815 1,816 1,833 1,840 1,844 2,848 19,849 1,854 2,855 1,877 9.833,878 7.017,879 4.222,880 2.124,881 3.249,882 1.477,883 1.023,884 3.03,885 10.063,886 3.384,887 4.099,888 4.83,889 5.573,890 6.223,891 6.693,892 7.17,893 7.636,894 7.911,895 8.024,896 1,897 31,898 6.979,900 2.907,901 7.579,902 13.517,904 11.008,905 2.079,906 39.5,907 0.001,910 164.795,911 73.612,912 85.765,917 73.612,918 164.795,919 85.765,920 17.65,921 37.109,922 28.429,923 65.068,924 15.664,925 7.229,926 153.024,928 164.795,929 159.377,933 164.795,937 68.952,938 38.843,939 51.582,941 164.795,942 85.765,943 73.612,946 164.795,947 18.485,948 56.413,949 18.011,950 66.468,951 164.795,952 85.765,953 73.612,955 0.577,956 0.343,957 0.202,958 0.125,959 16,960 7,961 0.079,962 3,963 2,964 1.308,965 3.051,966 147.565,967 0.308,968 13,969 80.711,974 12.24,975 4.704,976 2.02,977 2.895,978 84.479,979 8.112,980 9.093,984 3.102,986 50.908,987 324.173,988 28.5,999 35.811,1000 40.983,1001 0.278,1002 0.695,1003 0.837,1004 0.917,1005 0.917,1006 0.917,1007 4.613,1008 0.832,1009 5.509,1010 2.338,1011 4.111,1012 4.783,1013 0.278,1014 6.382,1015 4.014,1016 5.863,1017 0.345,1018 7.101,1019 2.164,1020 3.761,1021 4.808,1023 7.405,1024 3.619,1025 7.209,1026 -0.11,1027 8.797,1028 0.647,1029 5.746,1030 7.195,1031 0.05,1032 10.575,1033 5.542,1034 8.601,1035 -0.4,1036 10.556,1037 -0.219,1038 6.236,1039 8.083,1041 12.461,1042 5.968,1043 10.029,1044 -0.737,1045 12.356,1046 -1.034,1047 7.706,1048 9.951,1049 0.008,1050 15.162,1051 7.382,1052 11.484,1053 -0.916,1054 14.185,1055 -1.65,1056 8.585,1057 11.226,1059 17.402,1060 8.187,1061 12.958,1062 -1.164,1063 16.035,1064 -2.54,1065 9.864,1066 12.904,1067 0.001,1068 19.95,1069 9.41,1070 3.312,1071 -1.265,1072 17.902,1073 -2.702,1074 10.919,1075 14.353,1077 22.333,1078 10.391,1079 2.62,1080 11.909,1081 19.783,1082 -3.54,1083 12.133,1084 15.962,1086 24.832,1087 11.545,1088 2.395,1089 8.489,1090 21.675,1091 4.874,1092 13.266,1093 17.487,1095 27.271,1096 12.606,1097 2.07,1098 7.507,1099 23.575,1100 3.81,1101 14.46,1102 19.074,1104 29.755,1105 13.738,1106 1.573,1107 5.788,1108 25.482,1109 3.245,1110 15.627,1111 20.631,1113 32.216,1114 14.836,1115 1.515,1116 4.435,1117 27.395,1118 2.848,1119 16.818,1120 22.212,1122 34.695,1123 15.963,1124 1.083,1125 3.518,1126 29.314,1127 2.238,1128 18.001,1129 23.783,1131 37.166,1132 17.078,1133 2858,1134 4446,1135 13.929,1136 23.597,1137 31.666,1138 31.612,1139 33.252,1140 31.444,1141 31.49,1142 43.418,1143 0.8,1144 93.594,1145 29.981,1146 5.579,1147 5.354,1148 6.852,1149 5.323,1150 5.312,1151 7.874,1152 0.8,1153 19.444,1154 5.111,1155 9.047,1156 1.508,1157 1.505,1158 1.583,1159 1.497,1160 1.5,1161 2.068,1162 0.038,1163 4.457,1164 1.428,1165 4.201,1166 4.246,1167 4.181,1168 4.062,1169 5.134,1170 4.085,1171 3.743,1172 3.786,1173 3.677,1174 3.636,1175 5.003,1176 3.643,1177 3.594,1178 3.686,1179 3.448,1180 3.372,1181 4.658,1182 3.377,1183 3.312,1184 3.391,1185 3.185,1186 3.144,1187 4.363,1188 3.142,1189 3.082,1190 3.177,1191 2.904,1192 2.901,1193 3.95,1194 2.888,1195 2.94,1196 3.059,1197 2.77,1198 2.749,1199 3.817,1200 2.747,1201 2.841,1202 2.921,1203 2.645,1204 2.583,1205 3.703,1206 2.581,1207 2.671,1208 2.794,1209 2.411,1210 2.359,1211 3.539,1212 2.354,1213 0.228,1214 0.16,1215 0.333,1216 0.202,1217 0.158,1218 4.786,1219 0.232,1220 3.354,1221 0.019,1222 6.991,1223 0.567,1224 4.251,1225 0.148,1226 3.312,1227 4.874,1228 0.4,1229 11.909,1230 3.111,1231 2.052,1232 2.019,1233 2.116,1234 2.186,1235 1.266,1236 2.164,1237 1.616,1238 1.555,1239 1.837,1240 1.839,1241 1.033,1242 1.846,1243 1.551,1244 1.489,1245 1.771,1246 1.727,1247 0.884,1248 1.745,1249 1.425,1250 1.353,1251 1.626,1252 1.645,1253 0.696,1254 1.645,1255 1.13,1256 1.056,1257 1.403,1258 1.347,1259 0.463,1260 1.378,1261 0.907,1262 0.822,1263 1.208,1264 1.249,1265 0.259,1266 1.24,1267 0.836,1268 0.717,1269 1.191,1270 1.131,1271 0.162,1272 1.166,1273 0.662,1274 0.537,1275 1.027,1276 0.956,1277 0.083,1278 0.985,1279 3.761,1281 5.094,1282 2.398,1283 6.637,1284 4.727,1285 8.293,1286 6.843,1287 10.014,1289 4.132,1293 5.541,1295 1.255,1296 3.238,1305 22.268,1306 51.718,1307 129.388,1308 155.853,1309 170.608,1310 170.608,1311 170.608,1312 20.527,1313 6.815,1314 68.24,1315 68.24,1316 17,1317 12.439,1318 4,1319 3.087,1320 27.561,1321 50,1322 59,1323 0.298,1324 139.29,1325 220.14,1326 331.628,1327 6817,1329 13.405,1330 0.706,1331 0.586,1332 13.405,1333 11.143,1334 9.203,1335 0.438,1336 0.304,1337 6.301,1338 8.874,1339 6.083,1340 5.102,1341 9.203,1342 6.388,1343 8.276,1344 0.276,1345 0.158,1346 8.276,1347 4.727,1348 7.051,1349 0.168,1350 0.076,1351 7.051,1352 3.191,1353 6.165,1354 0.103,1355 0.038,1356 6.165,1357 2.295,1358 5.355,1359 0.067,1360 0.02,1361 5.355,1362 1.629,1363 0.438,1364 57.386,1365 0.268,1366 18.391,1367 0.913,1368 102,1369 256.58,1370 111.381,1371 256.171,1372 367.36,1373 242,1374 123,1375 289.62,1376 133.685,1377 294.743,1378 437,1379 278,1380 5}
{0 CHEMBL255592,1 1.446,2 12.735,3 4.619,4 21.334,5 130.831,6 8.064,7 0.605,8 4.109,9 4.216,10 3.76,11 3.745,12 5.314,13 3.728,14 4.608,15 4.765,16 4.149,17 4.151,18 5.729,19 4.122,20 4.844,21 5,22 4.269,23 4.327,24 6.038,25 4.278,26 4.971,27 5.173,28 4.195,29 4.318,30 6.15,31 4.249,32 4.9,33 5.102,34 4.148,35 4.255,36 6.074,37 4.188,38 4.811,39 5.004,40 4.067,41 4.197,42 5.932,43 4.126,44 4.79,45 5,46 4.003,47 4.161,48 5.868,49 4.081,50 4.753,51 4.959,52 3.99,53 4.109,54 5.89,55 4.034,56 0.006,57 0.767,58 8.865,59 4.407,60 10.302,61 5.479,62 0.222,63 1.282,64 17.336,65 7.394,66 21.987,67 9.54,68 0.1,69 1.591,70 21.632,71 9.743,72 27.198,73 12.356,74 0.287,75 1.806,76 28.44,77 11.102,78 66.446,79 14.053,80 0.265,81 1.629,82 26.976,83 10.888,84 58.064,85 13.992,86 0.165,87 1.494,88 23.715,89 9.984,90 41.98,91 12.797,92 0.208,93 1.484,94 24.002,95 9.789,96 38.345,97 12.806,98 0.117,99 1.399,100 23.083,101 9.773,102 40.915,103 12.876,104 28,105 56,106 0.232,107 0.584,108 0.742,109 0.833,110 0.839,111 0.839,112 3.561,113 0.855,114 -4.03,115 -3.98,116 -3.77,119 50.9,120 2,123 1,124 1,141 2,142 9,143 4,144 3,145 3,146 1,158 1,159 1,172 16,174 3,175 8,183 19,186 1,187 11,195 17,198 1,199 13,207 12,211 1,212 14,220 9,224 14,232 11,236 1,237 11,245 12,250 9,258 11,262 4,263 6,271 10,275 2256,276 22.963,277 22.963,278 22.963,279 22.963,280 22.963,281 19.96,282 24.39,283 13.088,284 23.266,285 18.623,286 18.623,287 18.623,288 18.623,289 18.623,290 13.858,291 30.157,292 6.097,293 19.109,294 4.336,295 2.138,296 1.155,297 0.587,298 0.55,299 0.55,300 4.266,305 1,306 943,307 3.808,310 65.843,311 352.91,314 114.964,315 127,318 2.057,319 27.43,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 71.5,331 433,332 4.744,333 4.38,334 7.287,335 4.402,336 3.442,337 4.585,338 2.517,339 12.788,340 3.365,341 4.54,342 3.941,343 7.228,344 4.354,345 3.362,346 3.923,347 1.741,348 12.333,349 3.274,350 4.277,351 3.322,352 6.323,353 3.822,354 2.843,355 3.733,356 0.693,357 9.496,358 2.775,359 4.116,360 3.152,361 6.002,362 3.535,363 2.549,364 3.591,365 0.343,366 8.309,367 2.516,368 3.842,369 2.965,370 5.456,371 3.469,372 2.504,373 3.251,375 7.117,376 2.413,377 3.691,378 2.75,379 5.363,380 3.227,381 2.239,382 3.075,384 6.622,385 2.209,386 3.393,387 2.691,388 5.182,389 2.886,390 1.919,391 2.622,393 6.117,394 1.867,395 3.336,396 2.391,397 5.04,398 2.873,399 1.885,400 2.546,402 5.608,403 1.837,404 3.21,405 2.026,406 4.759,407 2.549,408 1.565,409 2.242,411 4.65,412 1.537,413 3.103,414 1.694,415 4.294,416 2.456,417 1.491,418 2.166,420 3.356,421 1.438,422 2.745,423 1.631,424 3.64,425 2.09,426 1.129,427 1.5,428 3.139,429 1.082,430 2.708,431 1.337,432 3.487,433 2,434 1,435 1.5,436 2.275,437 1,438 2.5,439 1.123,440 3.414,441 1.957,442 1,443 1.436,445 2.136,446 0.954,447 2.5,448 1,449 3.247,450 1.87,451 0.899,452 1.374,454 2.116,455 0.869,456 2.421,457 1,458 3.226,459 1.604,460 0.616,461 1.052,463 1.468,464 0.607,465 16.333,466 0.48,467 0.958,468 0.028,469 51.5,470 1.515,471 29.5,472 0.868,473 22,474 0.647,475 26.519,476 0.78,477 32.867,478 0.598,479 41.769,480 1.228,481 9.868,482 0.29,483 6.518,484 0.192,485 0.137,486 0.031,487 0.324,493 0.688,494 1.207,495 0.692,496 0.958,497 0.522,498 0.849,499 0.666,500 0.864,501 0.694,502 0.726,503 0.507,504 0.709,505 0.888,506 1.18,507 0.942,508 1.117,509 0.798,510 1.05,511 1.335,512 0.98,513 1.095,514 0.978,515 1.43,516 1,517 1.194,518 0.949,519 0.958,520 0.939,521 1.202,522 0.928,523 1.124,524 1.065,525 1.008,526 1.042,527 1.083,528 1.023,529 0.993,530 0.892,531 0.995,532 0.949,533 0.729,534 0.965,535 0.924,536 1.1,537 0.9,538 1.064,539 0.848,540 1,541 7,542 0.288,543 4.667,544 2.861,545 2.321,546 1.497,547 0.807,548 0.776,549 0.585,550 0.43,551 16423,552 44067,553 2.102,554 38.2,555 6,556 12,558 3,564 1.763,565 1.952,566 3.574,567 -0.817,573 79.521,574 1.446,575 3.643,576 4.626,577 5.195,578 5.231,579 5.231,580 3.02,581 4.477,582 5.051,583 3.768,584 2113.63,585 8.881,586 31457.5,588 1,591 317.975,592 1.583,593 5.007,594 0.184,595 0.008,596 0.083,597 0.047,598 0.042,599 0.028,600 0.016,601 0.017,602 0.013,603 0.01,604 0.449,605 0.5,606 0.88,607 0.856,608 180.687,609 0.005,610 -0.187,611 0.059,612 -0.062,613 -0.011,614 -0.01,615 0.197,616 0.178,617 0.161,618 0.193,619 0.041,620 0.178,621 -0.003,622 -0.18,623 -0.078,624 -0.183,625 -0.008,626 -0.147,627 -0.161,628 0.035,629 -0.118,630 -0.021,631 -0.171,632 -0.054,633 -0.027,634 0.02,635 0.031,636 0.047,637 -0.016,638 0.047,639 -0.096,640 -0.102,641 -0.053,642 -0.062,643 -0.085,644 -0.056,645 -0.058,646 0.087,647 -0.021,648 0.035,649 0.002,650 0.019,651 0.025,652 -0.157,653 0.081,654 -0.064,655 0.073,656 0.001,657 1.86,658 6.277,659 0.735,660 40.083,661 0.998,662 1.11,663 2.802,664 7.853,665 0.72,666 3.664,667 4.043,668 4.369,669 4.654,670 4.956,671 5.118,672 5.338,673 5.541,674 5.71,675 5.811,676 7.302,677 0.692,678 443.54,679 3.664,680 5.242,681 6.125,682 7.034,683 7.939,684 8.858,685 9.774,686 10.699,687 11.622,688 12.553,689 9.1,696 2,698 1,699 2,703 2,704 12,705 2,709 6,711 23,731 55,733 26,734 2,735 38,737 59,738 28,739 20,740 5,741 7,746 5,747 8,751 1,752 2,753 1,760 3,761 21,762 4,766 1,771 1,775 1,781 21,782 6,784 6,790 5,794 0.6,795 1,805 2,811 1,812 4,815 1,816 1,819 2,822 1,840 3,844 3,848 34,859 2,860 1,861 2,866 1,868 3,870 1.8,873 1,877 17.417,878 11.417,879 7.347,880 3.264,881 5.303,882 1.613,883 1.004,884 5.198,885 13.959,886 4.016,887 4.64,888 5.308,889 5.919,890 6.567,891 6.983,892 7.53,893 8.044,894 8.547,895 8.952,896 0.889,897 61,898 12.517,900 5.414,901 7.757,902 23.725,904 19.69,905 2.257,906 76.75,909 1,910 247.193,911 215.958,912 70.879,914 25.145,917 215.958,918 272.338,919 70.879,920 26.047,921 6.249,922 85.286,923 110.631,924 80.746,925 38.337,926 211.88,928 247.193,929 286.837,930 25.145,933 247.193,934 25.145,937 84.245,938 134.96,939 67.632,941 247.193,942 96.024,943 215.958,946 247.193,947 26.82,948 144.724,949 50.663,950 89.775,951 247.193,952 96.024,953 215.958,955 0.595,956 0.361,957 0.186,958 0.103,959 29,960 13,961 0.034,962 2,963 2,964 1.16,965 4.359,966 338.531,967 0.16,968 25,969 166.974,974 21.505,975 8.218,976 3.76,977 1.621,978 96.024,979 22.303,980 8.669,984 4.778,987 559.175,988 54.5,993 13.277,997 -0.163,999 54.905,1000 61.023,1001 0.25,1002 0.63,1003 0.8,1004 0.899,1005 0.905,1006 0.905,1007 5.292,1008 1.885,1009 6.155,1010 6.117,1011 4.727,1012 5.328,1013 2.983,1014 7.055,1015 4.677,1016 6.549,1017 1.565,1018 7.778,1019 5.608,1020 4.511,1021 5.139,1022 1.404,1023 8.284,1024 4.445,1025 7.891,1026 1.491,1027 9.512,1028 4.65,1029 6.444,1030 7.587,1031 4.54,1032 11.378,1033 6.346,1034 9.27,1035 1.129,1036 11.313,1037 3.356,1038 7.057,1039 8.219,1040 2.602,1041 13.431,1042 6.939,1043 10.679,1044 1,1045 13.158,1046 3.139,1047 8.502,1048 10.129,1049 6.295,1050 16.12,1051 8.357,1052 12.112,1053 1,1054 15.033,1055 2.275,1056 9.467,1057 11.166,1058 3.779,1059 18.477,1060 9.298,1061 13.563,1062 0.899,1063 16.931,1064 2.136,1065 10.749,1066 12.844,1067 8.106,1068 21.052,1069 10.556,1070 3.442,1071 0.616,1072 18.845,1073 2.116,1074 11.862,1075 14.099,1076 4.932,1077 23.52,1078 11.644,1079 3.362,1080 12.788,1081 20.773,1082 1.468,1083 13.093,1084 15.671,1085 9.936,1086 26.063,1087 12.851,1088 2.843,1089 12.333,1090 22.711,1091 4.585,1092 14.268,1093 17.045,1094 6.067,1095 28.571,1096 14.001,1097 2.549,1098 9.496,1099 24.657,1100 3.923,1101 15.487,1102 18.573,1103 11.775,1104 31.105,1105 15.196,1106 2.504,1107 8.309,1108 26.61,1109 3.733,1110 16.687,1111 20.011,1112 7.191,1113 33.629,1114 16.372,1115 2.239,1116 7.117,1117 28.568,1118 3.591,1119 17.905,1120 21.523,1121 13.618,1122 36.163,1123 17.566,1124 1.919,1125 6.622,1126 30.53,1127 3.251,1128 19.118,1129 22.996,1130 8.309,1131 38.693,1132 18.755,1133 15508,1134 25549,1135 25.255,1136 39.574,1137 61.161,1138 62.259,1139 59.917,1140 57.829,1141 57.827,1142 78.918,1143 10.588,1144 176.497,1145 56.373,1146 5.617,1147 6.38,1148 7.089,1149 5.453,1150 5.442,1151 7.585,1152 5.034,1153 20.503,1154 5.365,1155 17.444,1156 1.61,1157 1.638,1158 1.577,1159 1.522,1160 1.522,1161 2.077,1162 0.279,1163 4.645,1164 1.483,1165 4.136,1166 4.165,1167 4.112,1168 4.054,1169 7.428,1170 4.064,1171 3.94,1172 3.968,1173 3.887,1174 3.886,1175 6.817,1176 3.882,1177 3.868,1178 3.905,1179 3.819,1180 3.78,1181 5.043,1182 3.785,1183 3.689,1184 3.732,1185 3.639,1186 3.549,1187 4.921,1188 3.565,1189 3.539,1190 3.592,1191 3.451,1192 3.425,1193 4.722,1194 3.424,1195 3.308,1196 3.353,1197 3.262,1198 3.167,1199 4.609,1200 3.183,1201 3.061,1202 3.142,1203 2.977,1204 2.923,1205 4.236,1206 2.925,1207 3.04,1208 3.08,1209 2.903,1210 2.862,1211 4.117,1212 2.866,1213 0.125,1214 0.115,1215 0.192,1216 0.116,1217 0.091,1218 4.744,1219 0.121,1220 4.38,1221 0.066,1222 7.287,1223 0.337,1224 4.402,1225 0.089,1226 3.442,1227 4.585,1228 2.517,1229 12.788,1230 3.365,1231 2.044,1232 2.024,1233 2.101,1234 2.12,1235 1.254,1236 2.116,1237 1.941,1238 1.916,1239 2.05,1240 2.023,1241 1.206,1242 2.033,1243 1.835,1244 1.804,1245 1.936,1246 1.948,1247 0.942,1248 1.947,1249 1.587,1250 1.538,1251 1.788,1252 1.77,1253 0.898,1254 1.768,1255 1.525,1256 1.482,1257 1.696,1258 1.702,1259 0.778,1260 1.708,1261 1.321,1262 1.271,1263 1.499,1264 1.506,1265 0.571,1266 1.502,1267 1.127,1268 1.095,1269 1.417,1270 1.283,1271 0.469,1272 1.308,1273 0.973,1274 0.904,1275 1.267,1276 1.239,1277 0.277,1278 1.273,1279 4.344,1281 5.707,1282 2.398,1283 7.276,1284 4.949,1285 8.932,1286 7.222,1287 10.637,1289 5.493,1300 3.295,1301 -0.61,1303 9.453,1304 8.634,1305 38.036,1306 79.521,1307 200.387,1308 254.426,1309 285.71,1310 287.71,1311 287.71,1312 58.29,1313 8.656,1314 76.5,1315 76.5,1316 29,1317 13.056,1318 4.755,1319 4.129,1320 49.88,1321 142,1322 172,1323 0.167,1324 233.518,1325 409.11,1326 561.545,1327 75637,1329 23.872,1330 0.702,1331 0.561,1332 23.872,1333 19.073,1334 16.386,1335 0.431,1336 0.285,1337 10.726,1338 15.957,1339 10.328,1340 8.631,1341 16.386,1342 10.833,1343 15.252,1344 0.272,1345 0.155,1346 15.252,1347 8.676,1348 13.613,1349 0.175,1350 0.077,1351 13.613,1352 6.023,1353 10.908,1354 0.105,1355 0.038,1356 10.908,1357 3.987,1358 9.303,1359 0.066,1360 0.02,1361 9.303,1362 2.773,1363 0.26,1364 101.324,1365 0.199,1366 31.219,1367 0.464,1368 188,1369 509.961,1370 199.678,1371 514.01,1372 717.12,1373 480,1374 228,1375 544.017,1376 241.538,1377 562.468,1378 821.92,1379 527,1380 7.143}
{0 CHEMBL255863,1 1.716,2 14.769,3 5.084,4 25.849,5 140.252,6 8.681,7 0.674,8 4.236,9 4.35,10 3.921,11 3.781,12 5.478,13 3.8,14 4.739,15 4.893,16 4.349,17 4.15,18 6.333,19 4.161,20 4.908,21 5.077,22 4.326,23 4.265,24 6.178,25 4.25,26 5.037,27 5.246,28 4.309,29 4.247,30 6.287,31 4.228,32 5.006,33 5.216,34 4.393,35 4.231,36 6.329,37 4.226,38 4.99,39 5.176,40 4.366,41 4.232,42 6.37,43 4.24,44 5.048,45 5.25,46 4.376,47 4.214,48 6.634,49 4.208,50 4.881,51 5.068,52 4.22,53 4.165,54 6.205,55 4.141,56 0.17,57 1.169,58 8.678,59 4.973,60 20.21,61 5.501,62 0.955,63 2.17,64 18.501,65 8.284,66 141.288,67 9.406,68 0.491,69 2.047,70 21.562,71 9.741,72 36.543,73 11.338,74 0.855,75 2.22,76 30.557,77 11.422,78 98.132,79 13.327,80 1.003,81 2.211,82 29.88,83 10.502,84 81.361,85 13.362,86 0.867,87 2.306,88 26.91,89 10.516,90 89.115,91 11.17,92 1.472,93 2.324,94 32.789,95 11.889,96 229.403,97 13.493,98 0.573,99 1.98,100 23.789,101 10.394,102 53.249,103 12.151,104 38,105 62,106 0.271,107 0.601,108 0.777,109 0.884,110 0.9,111 0.9,112 3.693,113 0.824,114 -4.91,115 -4.82,116 -4.52,119 45.9,120 2,132 1,142 9,143 4,144 3,145 3,146 2,150 1,151 1,158 1,160 1,172 9,174 2,175 9,178 3,180 5,183 10,187 6,192 6,195 6,198 1,199 13,202 1,204 5,207 4,212 10,215 1,216 1,217 2,220 7,223 2,224 7,227 2,229 2,232 10,236 2,237 2,240 2,242 3,245 14,249 1,250 4,255 1,258 11,263 13,266 1,268 3,271 7,275 3094,276 25.814,277 25.814,278 25.814,279 25.814,280 25.814,281 22.293,282 30.805,283 15.035,284 26.516,285 21.272,286 21.272,287 21.272,288 21.272,289 21.272,290 15.941,291 46.278,292 7.232,293 22.486,294 4.215,295 2.125,296 1.009,297 0.332,298 0.234,299 0.234,300 4.393,305 1,306 1254,307 4.062,310 114.279,311 548.768,318 2.26,319 57.195,322 0.75,323 0.83,324 0.83,325 0.5,327 0.83,328 1,329 0.68,330 87,331 576,332 4.516,333 4.461,334 7.125,335 4.212,336 3.338,337 4.104,338 3.825,339 11.744,340 2.993,341 4.341,342 3.578,343 6.23,344 3.965,345 2.986,346 3.987,347 1.058,348 9.365,349 2.921,350 4.247,351 3.065,352 6.194,353 3.853,354 2.904,355 3.889,356 0.4,357 9.271,358 2.802,359 4.213,360 3.035,361 6.156,362 3.814,363 2.867,364 3.686,366 9.107,367 2.624,368 3.94,369 2.856,370 5.884,371 3.599,372 2.624,373 3.318,375 8.158,376 2.555,377 3.765,378 2.59,379 5.369,380 3.341,381 2.389,382 3.207,384 7.021,385 2.252,386 3.687,387 2.418,388 5.267,389 3.229,390 2.28,391 3.079,393 6.633,394 2.147,395 3.38,396 2.249,397 4.994,398 3,399 2.039,400 2.664,402 5.878,403 1.957,404 3.207,405 1.888,406 4.546,407 2.733,408 1.775,409 2.493,411 4.537,412 1.698,413 2.882,414 1.829,415 4.413,416 2.451,417 1.521,418 2.009,420 4.415,421 1.398,422 2.854,423 1.804,424 4.165,425 2.412,426 1.441,427 1.972,428 3.71,429 1.387,430 2.715,431 1.54,432 4.08,433 2.225,434 1.24,435 1.806,436 3.324,437 1.209,438 2.709,439 1.262,440 3.993,441 2.206,442 1.212,443 1.72,445 3.127,446 1.196,447 2.566,448 1.23,449 3.541,450 2.074,451 1.119,452 1.592,454 2.791,455 1.062,456 2.5,457 1,458 3.429,459 1.961,460 1,461 1.5,463 2.387,464 0.958,465 17.99,466 0.461,467 1.192,468 0.031,469 56.75,470 1.455,471 30.5,472 0.782,473 26.25,474 0.673,475 30.899,476 0.792,477 40.81,478 0.669,479 50.805,480 1.303,481 11.496,482 0.295,483 7.156,484 0.183,485 0.122,486 0.028,487 0.328,490 3,493 0.624,494 1.087,495 0.632,496 1.01,497 0.588,498 0.869,499 0.46,500 0.785,501 0.665,502 0.88,503 0.388,504 0.848,505 0.76,506 1.049,507 0.956,508 1.154,509 0.62,510 1.121,511 1.06,512 1.016,513 1.05,514 1.021,515 1.025,516 1.022,517 0.706,518 0.779,519 0.767,520 0.854,521 0.79,522 0.838,523 1.259,524 1.119,525 1.112,526 1.034,527 1.253,528 1.017,529 1.072,530 0.938,531 1,532 0.903,533 1.176,534 0.93,535 0.878,536 1.073,537 0.946,538 1.157,539 0.837,540 1.102,541 10,542 0.33,543 4.444,544 2.535,545 2.388,546 1.514,547 1.2,548 0.895,549 0.468,550 0.398,551 25702,552 83160,553 2.073,554 36.1,555 3,556 9,557 1,558 4,559 2,560 3,564 1.794,565 1.926,566 3.82,567 0.187,573 104.655,574 1.716,575 3.806,576 4.922,577 5.599,578 5.697,579 5.697,580 3.234,581 4.888,582 5.259,583 4.011,584 2972.38,585 9.274,586 51240.4,591 361.775,592 1.568,593 5.205,594 0.233,595 0.008,596 0.072,597 0.042,598 0.041,599 0.024,600 0.02,601 0.015,602 0.009,603 0.008,604 0.471,605 0.17,606 0.75,607 0.686,608 219.503,609 -0.056,610 -0.147,611 0.029,612 -0.055,613 -0.102,614 -0.001,615 0.39,616 0.249,617 0.144,618 0.076,619 0.408,620 0.039,621 -0.096,622 -0.186,623 -0.141,624 -0.208,625 -0.017,626 -0.191,627 -0.136,628 -0.088,629 -0.079,630 -0.057,631 -0.117,632 -0.047,633 0.158,634 0.088,635 0.199,636 0.091,637 0.048,638 0.133,639 -0.171,640 -0.056,641 -0.175,642 -0.078,643 -0.154,644 -0.107,645 0.178,646 0.118,647 0.042,648 0.097,649 0.187,650 0.041,651 -0.045,652 -0.177,653 -0.032,654 -0.162,655 0.021,656 -0.111,657 5.851,658 6.105,659 0.744,660 46.154,661 1.025,662 1.139,663 3.679,664 13.535,665 0.691,666 3.784,667 4.143,668 4.369,669 4.615,670 4.868,671 4.927,672 5.088,673 5.176,674 5.273,675 5.323,676 8.641,677 0.685,678 529.57,679 3.784,680 5.352,681 6.196,682 7.083,683 7.946,684 8.831,685 9.701,686 10.586,687 11.46,688 12.344,689 11.5,696 1,697 2,699 4,704 14,705 4,709 10,710 1,711 29,718 1,724 1,731 61,733 30,734 2,735 43,737 65,738 28,739 24,740 6,741 6,742 1,746 5,747 5,752 3,757 1,761 25,762 3,766 1,771 1,775 1,779 3,781 22,782 10,783 2,784 11,787 1,790 7,794 1,795 1,805 1,806 1,811 1,812 4,840 5,844 2,846 3,848 39,855 2,860 1,869 3,870 1.6,873 1,877 20.25,878 11.762,879 8.278,880 3.41,881 5.103,882 1.603,883 1.019,884 7.146,885 13.567,886 4.086,887 4.721,888 5.288,889 5.865,890 6.4,891 6.641,892 7.065,893 7.408,894 7.777,895 8.076,896 0.9,897 61,898 14.942,900 6.945,901 8.105,902 26.449,904 21.427,905 2.605,906 101.583,910 235.422,911 188.634,912 105.063,914 25.145,915 44.88,917 188.634,918 260.567,919 149.943,920 17.65,921 18.011,922 94.334,923 152.695,924 118.458,925 13.67,926 176.567,927 7.76,928 235.422,929 293.697,930 70.025,933 235.422,934 70.025,937 106.504,938 120.051,939 67.142,941 280.302,942 130.208,943 188.634,946 243.182,947 33.13,948 149.644,949 36.022,950 137.167,951 235.422,952 175.088,953 188.634,955 0.594,956 0.333,957 0.172,958 0.1,959 30,960 14,961 0.092,962 6,964 1,965 4.832,966 388.098,968 29,969 201.376,974 26.09,975 10.683,976 6.14,978 173.189,979 21.707,980 16.954,984 3.407,985 1.466,986 36.022,987 599.144,988 58.5,993 13.105,997 -0.574,999 62.53,1000 69.453,1001 0.289,1002 0.642,1003 0.83,1004 0.944,1005 0.961,1006 0.961,1007 5.334,1008 2.039,1009 6.217,1010 6.633,1011 4.828,1012 5.409,1013 3.153,1014 7.043,1015 4.725,1016 6.571,1017 1.775,1018 7.793,1019 5.878,1020 4.575,1021 5.223,1022 3.903,1023 8.089,1024 4.358,1025 7.891,1026 1.521,1027 9.473,1028 4.537,1029 6.482,1030 7.607,1031 5.432,1032 11.104,1033 6.263,1034 9.244,1035 1.441,1036 11.215,1037 4.415,1038 7.004,1039 8.172,1040 6.69,1041 12.95,1042 6.662,1043 10.624,1044 1.24,1045 12.998,1046 3.71,1047 8.431,1048 10.051,1049 8.059,1050 15.535,1051 8.072,1052 12.024,1053 1.212,1054 14.809,1055 3.324,1056 9.295,1057 10.98,1058 9.388,1059 17.711,1060 8.817,1061 13.438,1062 1.119,1063 16.642,1064 3.127,1065 10.543,1066 12.624,1067 10.734,1068 20.169,1069 10.025,1070 3.338,1071 1,1072 18.493,1073 2.791,1074 11.563,1075 13.75,1076 12.074,1077 22.49,1078 10.934,1079 2.986,1080 11.744,1081 20.357,1082 2.387,1083 12.745,1084 15.272,1085 13.416,1086 24.919,1087 12.055,1088 2.904,1089 9.365,1090 22.234,1091 4.104,1092 13.84,1093 16.509,1094 14.758,1095 27.306,1096 13.045,1097 2.867,1098 9.271,1099 24.12,1100 3.987,1101 15.004,1102 17.967,1103 16.1,1104 29.737,1105 14.131,1106 2.624,1107 9.107,1108 26.016,1109 3.889,1110 16.136,1111 19.266,1112 17.441,1113 32.158,1114 15.159,1115 2.389,1116 8.158,1117 27.92,1118 3.686,1119 17.298,1120 20.691,1121 18.783,1122 34.597,1123 16.232,1124 2.28,1125 7.021,1126 29.83,1127 3.318,1128 18.452,1129 22.027,1130 20.124,1131 37.035,1132 17.281,1133 24093,1134 43633,1135 28.433,1136 42.159,1137 66.416,1138 66.191,1139 65.954,1140 65.455,1141 65.288,1142 87.634,1143 10.567,1144 191.684,1145 61.873,1146 5.361,1147 6.461,1148 6.927,1149 5.283,1150 5.338,1151 7.104,1152 5.335,1153 18.855,1154 4.993,1155 20.985,1156 1.545,1157 1.539,1158 1.534,1159 1.522,1160 1.518,1161 2.038,1162 0.246,1163 4.458,1164 1.439,1165 4.066,1166 4.107,1167 4.029,1168 3.952,1169 8.513,1170 3.964,1171 3.979,1172 4.02,1173 3.94,1174 3.873,1175 7.999,1176 3.882,1177 3.906,1178 3.938,1179 3.859,1180 3.821,1181 7.999,1182 3.827,1183 3.78,1184 3.826,1185 3.74,1186 3.625,1187 7.429,1188 3.645,1189 3.669,1190 3.725,1191 3.615,1192 3.506,1193 5.05,1194 3.526,1195 3.428,1196 3.47,1197 3.407,1198 3.209,1199 4.963,1200 3.237,1201 3.271,1202 3.321,1203 3.234,1204 3.016,1205 4.84,1206 3.055,1207 3.09,1208 3.186,1209 2.959,1210 2.895,1211 4.687,1212 2.897,1213 0.105,1214 0.104,1215 0.166,1216 0.098,1217 0.078,1218 4.516,1219 0.095,1220 4.461,1221 0.089,1222 7.125,1223 0.273,1224 4.212,1225 0.07,1226 3.338,1227 4.104,1228 3.825,1229 11.744,1230 2.993,1231 1.959,1232 1.933,1233 2.045,1234 2.075,1235 1.17,1236 2.064,1237 1.915,1238 1.886,1239 1.996,1240 2.039,1241 1.134,1242 2.026,1243 1.88,1244 1.85,1245 1.976,1246 1.98,1247 1.027,1248 1.982,1249 1.609,1250 1.558,1251 1.753,1252 1.796,1253 0.829,1254 1.78,1255 1.535,1256 1.479,1257 1.729,1258 1.714,1259 0.692,1260 1.727,1261 1.357,1262 1.3,1263 1.566,1264 1.619,1265 0.634,1266 1.588,1267 1.305,1268 1.253,1269 1.466,1270 1.566,1271 0.521,1272 1.527,1273 1.092,1274 1.033,1275 1.272,1276 1.374,1277 0.305,1278 1.359,1279 4.466,1281 5.814,1282 2.398,1283 7.339,1284 4.595,1285 8.94,1286 6.555,1287 10.582,1289 3.581,1291 40.827,1296 5.712,1301 -4.601,1305 41.756,1306 104.655,1307 232.168,1308 300.226,1309 341.51,1310 347.51,1311 347.51,1312 85.784,1313 8.465,1314 97.62,1315 97.62,1316 29,1317 12.879,1318 4.954,1319 4.044,1320 61.503,1321 204,1322 206,1323 0.144,1324 253.629,1325 441.06,1326 610.615,1327 68091,1328 4.9,1329 27.57,1330 0.707,1331 0.535,1332 25.07,1333 20.861,1334 18.652,1335 0.434,1336 0.275,1337 11.601,1338 17.793,1339 11.329,1340 9.408,1341 17.441,1342 11.813,1343 18.024,1344 0.291,1345 0.142,1346 16.067,1347 8.805,1348 14.157,1349 0.181,1350 0.075,1351 13.168,1352 5.872,1353 11.472,1354 0.115,1355 0.039,1356 11.083,1357 3.874,1358 9.646,1359 0.075,1360 0.02,1361 8.933,1362 2.634,1363 0.229,1364 117.947,1365 0.188,1366 35.356,1367 0.383,1368 210,1369 808.96,1370 242.858,1371 710.72,1372 948.68,1373 660,1374 245,1375 687.524,1376 271.652,1377 681.67,1378 1009.01,1379 638,1380 5}
{0 CHEMBL257371,1 1.748,2 9.88,3 4.376,4 19.147,5 95.245,6 9.524,7 0.75,8 3.769,9 3.832,10 3.591,11 3.405,12 5.045,13 3.393,14 4.235,15 4.32,16 3.984,17 3.796,18 5.604,19 3.769,20 4.376,21 4.488,22 4.074,23 3.919,24 5.594,25 3.85,26 4.409,27 4.525,28 4.034,29 3.889,30 5.664,31 3.807,32 4.356,33 4.503,34 3.802,35 3.788,36 5.491,37 3.723,38 4.319,39 4.453,40 3.857,41 3.747,42 5.481,43 3.699,44 4.323,45 4.5,46 3.568,47 3.608,48 5.404,49 3.538,50 4.185,51 4.377,52 3.314,53 3.322,54 5.287,55 3.266,56 0.166,57 0.491,58 4.348,59 3.224,60 2.689,61 3.138,62 0.383,63 0.776,64 9.619,65 5.625,66 43.645,67 5.165,68 0.313,69 0.962,70 14.464,71 7.256,72 17.964,73 6.536,74 0.424,75 0.999,76 18.746,77 7.915,78 34.574,79 6.706,80 0.361,81 0.892,82 17.077,83 7.325,84 42.17,85 7.454,86 0.355,87 0.854,88 12.684,89 6.389,90 18.184,91 6.591,92 0.328,93 0.849,94 12.833,95 6.433,96 22.298,97 7.249,98 0.42,99 0.757,100 17.024,101 6.159,102 32.901,103 6.115,104 14,105 40,106 0.306,107 0.612,108 0.747,109 0.842,110 0.842,111 0.842,112 3.268,113 0.883,114 -4.88,115 -4.79,116 -4.5,119 48.6,124 1,142 8,143 2,144 4,146 1,151 1,161 1,166 2,172 5,174 2,175 9,183 10,187 9,195 9,198 1,199 10,207 9,212 2,220 10,223 1,224 9,232 8,237 7,245 4,250 8,262 2,263 8,275 944,276 17.11,277 17.11,278 17.11,279 17.11,280 17.11,281 14.417,282 12.76,283 9.906,284 17.562,285 13.765,286 13.765,287 13.765,288 13.765,289 13.765,290 9.656,291 12.167,292 4.62,293 14.44,294 3.462,295 1.71,296 0.939,297 0.399,298 0.399,299 0.399,300 3.967,304 1,305 1,306 538,307 3,310 43.64,311 171.817,314 80.247,315 88.458,318 1.334,319 25.806,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 55,331 247,332 4.713,333 4.589,334 6.843,335 4.215,336 3.251,337 4.75,338 2.95,339 11.41,340 3.132,341 4.254,342 3.778,343 6.017,344 3.746,345 2.781,346 3.951,347 2.612,348 8.545,349 2.679,350 4.113,351 3.346,352 5.93,353 3.624,354 2.648,355 3.883,356 0.86,357 8.236,358 2.589,359 3.814,360 2.879,361 5.537,362 3.327,363 2.412,364 3.288,366 7.346,367 2.187,368 3.61,369 2.616,370 5.249,371 3.144,372 2.196,373 3.055,375 6.568,376 2.067,377 3.406,378 2.361,379 5.084,380 2.898,381 1.955,382 2.786,384 5.945,385 1.832,386 2.938,387 2.063,388 4.092,389 2.273,390 1.301,391 2.051,393 3.286,394 1.255,395 2.712,396 1.511,397 3.855,398 2.193,399 1.204,400 1.81,402 2.996,403 1.187,404 2.61,405 1.138,406 3.693,407 2.098,408 1.111,409 1.664,411 2.624,412 1.095,413 2.5,414 1.098,415 3.414,416 2,417 1,418 1.5,420 2.275,421 1,422 2.121,423 1.037,424 3.4,425 1.668,426 0.73,427 0.983,428 1.862,429 0.673,430 1.628,431 1,432 2.977,433 1.316,434 0.455,435 0.517,436 0.76,437 0.386,438 1.439,439 1,440 2.815,441 0.963,442 0.046,443 0.062,445 0.114,446 0.042,447 1.076,448 0.715,449 2.636,450 0.596,451 -0.344,452 -0.476,454 -0.904,455 -0.317,456 1,457 0.185,458 2.343,459 0.38,460 -0.568,461 -0.76,463 -1.275,464 -0.53,465 11.967,466 0.479,467 0.606,468 0.024,469 38.25,470 1.53,471 22,472 0.88,473 16.25,474 0.65,475 15.938,476 0.638,477 25.233,478 0.682,479 27.065,480 1.083,481 7.618,482 0.305,483 4.534,484 0.181,485 0.097,487 0.368,493 0.554,494 0.928,495 0.62,496 0.812,497 0.513,498 0.771,499 0.831,500 0.865,501 0.776,502 0.766,503 0.454,504 0.746,505 0.852,506 1.077,507 1.18,508 1.079,509 0.559,510 0.944,511 0.963,512 1.034,513 1.505,514 1.311,515 1.03,516 1.095,517 0.836,518 0.95,519 1.105,520 1.069,521 0.866,522 0.999,523 0.547,524 1.08,525 0.785,526 1.139,527 0.403,528 1.145,529 0.802,530 1.137,531 0.824,532 1.034,533 0.463,534 1.221,535 1.241,536 1.115,537 1.238,538 1.108,539 0.82,540 1.099,541 5,542 0.131,543 2.889,544 1.5,545 1.671,546 0.899,547 0.437,548 0.341,549 0.308,550 0.18,551 6889,552 24369,553 2.13,554 32.4,556 11,557 1,564 1.683,565 2,566 3.225,567 -0.711,569 1,573 64.672,574 1.748,575 3.499,576 4.27,577 4.811,578 4.811,579 4.811,580 2.617,581 4.404,582 4.611,583 3.392,584 1017.55,585 7.993,586 11965.6,588 1,590 1,591 192.75,592 1.388,593 4.579,594 0.179,595 0.009,596 0.072,597 0.037,598 0.045,599 0.026,600 0.013,601 0.013,602 0.015,603 0.01,604 0.42,605 0.17,606 1,607 0.844,608 119.075,609 0.137,610 0.056,611 0.065,612 0.048,613 -0.015,614 0.014,615 0.039,616 0.103,617 0.077,618 0.184,619 0.192,620 0.113,621 -0.122,622 -0.037,623 -0.05,624 0.029,625 0.017,626 -0.007,627 -0.115,628 0.013,629 -0.209,630 -0.106,631 -0.121,632 -0.124,633 -0.074,634 -0.018,635 -0.084,636 -0.037,637 -0.095,638 0.03,639 0.153,640 -0.147,641 0.054,642 -0.226,643 0.031,644 -0.18,645 -0.034,646 -0.231,647 -0.021,648 -0.175,649 0.008,650 -0.186,651 -0.191,652 -0.145,653 -0.149,654 -0.103,655 -0.058,656 -0.015,657 2.406,658 3.812,659 0.76,660 20.451,661 1.027,662 1.104,663 3.654,664 13.35,665 0.737,666 3.367,667 3.714,668 4.025,669 4.317,670 4.595,671 4.771,672 4.927,673 5.094,674 5.193,675 5.176,676 5.731,677 0.722,678 352.39,679 3.367,680 4.92,681 5.79,682 6.683,683 7.574,684 8.476,685 9.375,686 10.281,687 11.185,688 12.095,689 5.4,699 1,700 1,703 4,704 9,705 1,707 1,709 4,711 21,725 1,729 1,731 37,733 23,734 2,735 28,737 40,738 18,739 17,740 5,741 7,746 4,747 7,761 17,762 1,766 2,768 1,771 2,778 1,780 1,781 12,782 5,784 7,785 1,790 2,794 0.5,795 4,805 1,811 1,812 3,815 1,816 1,840 2,841 1,842 1,844 1,848 25,856 1,857 1,870 10.8,875 2,876 2,877 12.5,878 7.233,879 5.472,880 2.05,881 4.459,882 1.585,883 1.017,884 4.075,885 12.087,886 3.726,887 4.428,888 5.091,889 5.761,890 6.394,891 6.883,892 7.383,893 7.885,894 8.29,895 8.583,896 0.857,897 41,898 9.165,900 3.958,901 7.947,902 17.116,904 14.034,905 2.447,906 61.167,910 141.253,911 153.451,912 22.456,914 71.254,916 32.22,917 121.232,918 212.507,919 22.456,920 16.553,922 87.549,923 21.193,924 38.899,925 11.771,926 161.702,927 50.747,928 141.253,929 143.687,930 71.254,931 32.22,933 141.253,934 20.507,935 50.747,937 6.552,938 114.68,939 22.456,940 32.22,941 141.253,942 93.71,943 153.451,946 141.253,947 55.019,948 104.103,950 88.04,951 141.253,952 93.71,953 153.451,955 0.585,956 0.349,957 0.186,958 0.104,959 21,960 9,961 0.1,962 4,963 2,964 1.211,965 3.671,966 217.159,967 0.211,968 19,969 110.096,970 1,974 15.94,975 6.391,976 2.947,977 3.19,978 88.04,979 15.666,980 4.537,982 5.474,984 2.681,987 388.414,988 40.5,990 -0.406,993 21.624,999 38.007,1000 40.83,1001 0.336,1002 0.672,1003 0.82,1004 0.923,1005 0.923,1006 0.923,1007 4.951,1008 1.204,1009 5.784,1010 3.286,1011 4.394,1012 5.115,1013 3.437,1014 6.621,1015 4.305,1016 6.198,1017 1.111,1018 7.358,1019 2.996,1020 4.007,1021 5.075,1022 2.361,1023 7.567,1024 3.867,1025 7.535,1026 1,1027 9.031,1028 2.624,1029 6.014,1030 7.471,1031 5.377,1032 10.678,1033 5.844,1034 8.912,1035 0.73,1036 10.761,1037 2.275,1038 6.447,1039 8.264,1040 4.506,1041 12.452,1042 6.229,1043 10.319,1044 0.455,1045 12.529,1046 1.862,1047 7.918,1048 10.126,1049 7.44,1050 15.094,1051 7.677,1052 11.748,1053 0.046,1054 14.323,1055 0.76,1056 8.726,1057 11.302,1058 6.556,1059 17.23,1060 8.441,1061 13.194,1062 -0.344,1063 16.136,1064 0.114,1065 9.99,1066 12.959,1067 9.54,1068 19.724,1069 9.682,1070 3.251,1071 -0.568,1072 17.963,1073 -0.904,1074 10.979,1075 14.323,1076 8.548,1077 22.023,1078 10.63,1079 2.781,1080 11.41,1081 19.804,1082 -1.275,1083 12.166,1084 15.901,1085 11.658,1086 24.471,1087 11.789,1088 2.648,1089 8.545,1090 21.655,1091 4.75,1092 13.243,1093 17.357,1094 10.509,1095 26.843,1096 12.827,1097 2.412,1098 8.236,1099 23.515,1100 3.951,1101 14.405,1102 18.908,1103 13.789,1104 29.278,1105 13.958,1106 2.196,1107 7.346,1108 25.382,1109 3.883,1110 15.527,1111 20.41,1112 12.452,1113 31.684,1114 15.041,1115 1.955,1116 6.568,1117 27.257,1118 3.288,1119 16.685,1120 21.954,1121 15.928,1122 34.116,1123 16.165,1124 1.301,1125 5.945,1126 29.138,1127 3.055,1128 17.829,1129 23.48,1130 14.386,1131 36.537,1132 17.271,1133 6602,1134 12556,1135 18.898,1136 27.284,1137 42.123,1138 46.238,1139 43.613,1140 42.136,1141 42.18,1142 60.603,1143 12.845,1144 123.933,1145 40.25,1146 5.487,1147 6.589,1148 6.39,1149 5.353,1150 5.251,1151 7.75,1152 5.9,1153 18.952,1154 5.132,1155 11.436,1156 1.504,1157 1.651,1158 1.558,1159 1.505,1160 1.506,1161 2.164,1162 0.459,1163 4.426,1164 1.437,1165 4.161,1166 4.17,1167 4.224,1168 4.093,1169 7.815,1170 4.09,1171 3.961,1172 3.985,1173 3.955,1174 3.847,1175 6.999,1176 3.847,1177 3.753,1178 3.762,1179 3.706,1180 3.634,1181 5.223,1182 3.647,1183 3.481,1184 3.493,1185 3.639,1186 3.182,1187 4.837,1188 3.193,1189 3.274,1190 3.325,1191 3.224,1192 2.997,1193 4.676,1194 3.037,1195 2.999,1196 3.054,1197 3.053,1198 2.85,1199 4.437,1200 2.86,1201 2.958,1202 2.996,1203 2.866,1204 2.791,1205 4.034,1206 2.778,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.842,1212 2.715,1213 0.168,1214 0.164,1215 0.244,1216 0.151,1217 0.116,1218 4.713,1219 0.17,1220 4.589,1221 0.105,1222 6.843,1223 0.407,1224 4.215,1225 0.112,1226 3.251,1227 4.75,1228 2.95,1229 11.41,1230 3.132,1231 2.043,1232 2.032,1233 2.076,1234 2.117,1235 1.259,1236 2.111,1237 1.893,1238 1.87,1239 1.976,1240 2.06,1241 1.071,1242 2.019,1243 1.541,1244 1.524,1245 1.658,1246 1.673,1247 0.779,1248 1.664,1249 1.31,1250 1.296,1251 1.553,1252 1.616,1253 0.568,1254 1.56,1255 1.188,1256 1.172,1257 1.405,1258 1.591,1259 0.364,1260 1.519,1261 1.159,1262 1.087,1263 1.21,1264 1.437,1265 0.238,1266 1.454,1267 0.91,1268 0.86,1269 1.181,1270 1.07,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.131,1276 1.062,1277 0.157,1278 1.098,1279 4.043,1281 5.38,1282 2.398,1283 6.919,1284 4.595,1285 8.554,1286 6.605,1287 10.243,1289 1.61,1297 5.268,1298 1.522,1305 26.723,1306 64.672,1307 129.466,1308 157.995,1309 177.995,1310 177.995,1311 177.995,1312 36.307,1313 7.629,1314 81.08,1315 106.38,1316 23,1317 12.612,1318 4.585,1319 3.755,1320 35.815,1321 82,1322 93,1323 0.21,1324 165.29,1325 276.19,1326 395.066,1327 20773,1329 17.389,1330 0.696,1331 0.558,1332 17.742,1333 13.948,1334 12.152,1335 0.434,1336 0.294,1337 7.369,1338 11.1,1339 7.139,1340 5.905,1341 12.56,1342 8.244,1343 11.026,1344 0.276,1345 0.16,1346 11.668,1347 6.4,1348 9.59,1349 0.174,1350 0.091,1351 10.4,1352 4.98,1353 8.043,1354 0.109,1355 0.049,1356 8.957,1357 3.658,1358 6.594,1359 0.067,1360 0.027,1361 7.569,1362 2.68,1363 0.323,1364 81.326,1365 0.23,1366 23.923,1367 0.598,1368 136,1369 477.093,1370 176.386,1371 472.506,1372 641.68,1373 440,1374 163,1375 463.834,1376 200.847,1377 478.403,1378 698.65,1379 448,1380 5.398}
{0 CHEMBL259084,1 1.805,2 12.382,3 6.167,4 38.036,5 123.999,6 9.732,7 0.632,8 4.038,9 4.122,10 3.816,11 3.667,12 5.347,13 3.681,14 4.508,15 4.617,16 4.228,17 4.057,18 5.92,19 4.061,20 4.792,21 4.932,22 4.383,23 4.222,24 6.131,25 4.224,26 4.87,27 5.039,28 4.381,29 4.18,30 6.355,31 4.184,32 4.817,33 4.98,34 4.353,35 4.193,36 6.118,37 4.187,38 4.846,39 5.019,40 4.384,41 4.181,42 6.209,43 4.165,44 4.792,45 4.977,46 4.335,47 4.091,48 6.219,49 4.054,50 4.613,51 4.797,52 4.07,53 3.902,54 6.046,55 3.858,56 0.191,57 0.819,58 4.764,59 3.856,60 24.096,61 3.682,62 0.415,63 1.332,64 8.932,65 6.355,66 53.058,67 6.425,68 0.585,69 1.774,70 17.729,71 8.989,72 73.495,73 8.972,74 1.019,75 2.073,76 21.224,77 9.337,78 133.233,79 9.046,80 0.701,81 1.794,82 18.749,83 9.09,84 97.64,85 9.039,86 0.853,87 1.966,88 20.823,89 9.764,90 104.276,91 9.633,92 0.951,93 1.667,94 27.385,95 10.125,96 113.46,97 10.879,98 0.83,99 1.414,100 22.3,101 8.175,102 96.873,103 9.093,104 27,105 55,106 0.297,107 0.632,108 0.764,109 0.856,110 0.865,111 0.865,112 3.561,113 0.832,114 -5.59,115 -5.46,116 -5.09,119 51,125 1,142 10,143 5,144 4,145 1,146 1,150 1,157 1,158 1,167 1,170 1,172 10,173 1,174 1,175 7,178 3,180 3,183 15,184 2,187 6,192 4,195 11,196 2,198 2,199 12,204 5,207 7,212 10,217 2,218 1,220 7,224 6,227 2,228 1,229 2,232 11,237 2,238 2,242 1,245 14,249 2,250 6,253 2,255 1,258 12,263 3,268 2,271 8,272 2,275 2032,276 22.878,277 22.878,278 22.878,279 22.878,280 22.878,281 19.557,282 25.112,283 13.193,284 23.346,285 18.738,286 18.738,287 18.738,288 18.738,289 18.738,290 13.783,291 35.76,292 6.247,293 19.613,294 3.81,295 1.781,296 0.979,297 0.424,298 0.367,299 0.367,300 4.268,301 1,305 1,306 921,307 3.162,311 329.203,312 77.306,316 253.799,318 1.934,319 55.089,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 75.333,331 421,332 4.647,333 3.576,334 6.978,335 4.274,336 3.296,337 4.341,338 1.437,339 11.854,340 3.224,341 4.372,342 3.498,343 6.595,344 3.967,345 3.002,346 4.046,347 0.795,348 10.436,349 2.892,350 4.174,351 3.203,352 5.962,353 3.788,354 2.797,355 3.769,356 0.4,357 8.375,358 2.77,359 4.032,360 2.936,361 5.929,362 3.589,363 2.637,364 3.635,366 8.223,367 2.503,368 3.754,369 2.779,370 5.516,371 3.394,372 2.433,373 3.106,375 7.402,376 2.334,377 3.574,378 2.6,379 5.204,380 3.075,381 2.159,382 2.925,384 6.067,385 1.982,386 3.423,387 2.592,388 4.985,389 2.96,390 2.012,391 2.74,393 5.881,394 1.894,395 3.329,396 2.342,397 4.968,398 2.925,399 1.988,400 2.585,402 5.772,403 1.765,404 3.232,405 2.23,406 4.841,407 2.787,408 1.879,409 2.481,411 5.104,412 1.678,413 2.81,414 1.817,415 4.262,416 2.347,417 1.355,418 1.948,420 3.529,421 1.341,422 2.76,423 1.379,424 3.904,425 2.245,426 1.247,427 1.762,428 2.955,429 1.224,430 2.605,431 1.288,432 3.779,433 2.058,434 1.104,435 1.633,436 2.874,437 1.046,438 2.578,439 1.166,440 3.724,441 2.028,442 1.084,443 1.567,445 2.665,446 1.011,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 1.744,457 0.973,458 3.208,459 1.47,460 0.538,461 0.623,463 1.345,464 0.494,465 16.052,466 0.472,467 0.942,468 0.028,469 49.75,470 1.463,471 27.5,472 0.809,473 22.25,474 0.654,475 26.121,476 0.768,477 34.348,478 0.701,479 42.534,480 1.251,481 10.152,482 0.299,483 6.25,484 0.184,485 0.122,487 0.405,491 2,493 0.648,494 0.908,495 0.538,496 0.79,497 0.614,498 0.726,499 0.571,500 0.913,501 0.627,502 0.879,503 0.522,504 0.862,505 0.921,506 1.168,507 0.923,508 1.059,509 0.839,510 0.995,511 0.955,512 0.944,513 0.902,514 0.896,515 0.886,516 0.943,517 0.953,518 1.075,519 0.837,520 0.918,521 0.899,522 0.938,523 1.131,524 1.213,525 1.032,526 0.978,527 1.105,528 1.019,529 0.868,530 0.99,531 1.131,532 1.052,533 0.822,534 1.027,535 0.815,536 0.892,537 1.255,538 1.079,539 0.85,540 1.124,541 7,542 0.273,543 4.222,544 2.813,545 2.367,546 1.295,547 1.246,548 0.642,549 0.359,550 0.233,551 16087,552 58975,553 2.109,554 30.6,556 12,558 1,559 2,564 1.763,565 1.962,566 3.522,567 0.206,573 88.421,574 1.805,575 3.834,576 4.636,577 5.191,578 5.247,579 5.247,580 3.069,581 4.536,582 5.053,583 3.736,584 2095.78,585 8.88,586 30760.9,591 275.121,592 1.449,593 5.014,594 0.184,595 0.01,596 0.077,597 0.045,598 0.039,599 0.022,600 0.022,601 0.013,602 0.009,603 0.008,604 0.43,605 0.17,606 0.63,607 0.706,608 179.981,609 -0.07,610 -0.037,611 -0.005,612 0.044,613 -0.081,614 0.049,615 0.073,616 -0.007,617 0.008,618 -0.023,619 0.078,620 -0.043,621 -0.119,622 -0.196,623 -0.096,624 -0.142,625 -0.069,626 -0.097,627 0.007,628 0.097,629 -0.058,630 0.022,631 0.047,632 -0.028,633 -0.127,634 -0.11,635 -0.015,636 0.004,637 -0.107,638 -0.003,639 -0.105,640 -0.05,641 -0.048,642 -0.002,643 -0.127,644 -0.064,645 0.095,646 -0.002,647 0.114,648 -0.014,649 0.08,650 0.034,651 0.145,652 0.096,653 -0.073,654 -0.063,655 0.048,656 -0.088,657 2.69,658 6.647,659 0.794,660 37.311,661 1.033,662 1.121,663 4.358,664 18.992,665 0.735,666 3.664,667 4.025,668 4.331,669 4.635,670 4.934,671 5.1,672 5.283,673 5.468,674 5.628,675 5.79,676 7.157,677 0.731,678 476.89,679 3.664,680 5.231,681 6.103,682 7.002,683 7.892,684 8.798,685 9.697,686 10.606,687 11.51,688 12.421,689 8.2,697 1,698 1,699 2,704 11,705 2,709 11,711 24,714 1,720 1,724 1,730 3,731 49,733 26,734 3,735 38,737 53,738 25,739 22,740 8,741 10,742 2,746 5,747 8,748 1,761 24,762 1,766 2,771 1,774 1,775 2,779 2,781 15,782 8,783 2,784 9,785 1,790 4,794 0.6,795 2,806 1,812 4,813 1,817 2,838 1,840 3,845 1,846 2,848 34,853 1,854 1,855 1,869 3,870 4.1,872 1,873 1,877 17.333,878 9.062,879 7.306,880 2.788,881 4.626,882 1.539,883 1.023,884 5.724,885 13.208,886 3.97,887 4.625,888 5.239,889 5.854,890 6.456,891 6.788,892 7.244,893 7.716,894 8.176,895 8.639,896 1,897 63,898 12.643,900 5.702,901 8.141,902 23.015,904 19.144,905 2.641,906 89.778,910 153.024,911 154.665,912 68.367,913 39.149,914 67.828,915 29.92,917 154.665,918 260.001,919 98.288,921 2.106,922 94.762,923 116.837,924 87.028,925 31.819,926 141.253,927 39.149,928 153.024,929 223.033,930 97.748,931 39.149,933 182.945,934 67.828,937 50.605,938 138.856,939 72.72,941 182.945,942 136.196,943 193.814,946 153.024,947 50.855,948 103.81,949 18.011,950 187.254,951 153.024,952 166.116,953 193.814,955 0.592,956 0.349,957 0.191,958 0.109,959 28,960 13,961 0.075,962 4,963 2,964 1.148,965 4.306,966 341.506,967 0.148,968 27,969 162.974,974 21.998,975 8.847,976 4.261,978 166.116,979 16.41,980 8.955,984 1.983,986 60.694,987 512.954,988 52,993 11.063,996 4.501,997 -0.88,999 50.596,1000 54.942,1001 0.321,1002 0.683,1003 0.826,1004 0.925,1005 0.935,1006 0.935,1007 5.22,1008 1.988,1009 6.107,1010 5.881,1011 4.71,1012 5.313,1013 1.904,1014 6.956,1015 4.624,1016 6.458,1017 1.879,1018 7.69,1019 5.772,1020 4.369,1021 5.156,1023 7.932,1024 4.221,1025 7.784,1026 1.355,1027 9.373,1028 5.104,1029 6.34,1030 7.544,1031 2.339,1032 11.06,1033 6.196,1034 9.144,1035 1.247,1036 11.113,1037 3.529,1038 6.792,1039 8.163,1041 12.879,1042 6.607,1043 10.531,1044 1.104,1045 12.893,1046 2.955,1047 8.254,1048 10.038,1049 2.95,1050 15.545,1051 8.066,1052 11.94,1053 1.084,1054 14.7,1055 2.874,1056 9.075,1057 11.036,1059 17.725,1060 8.858,1061 13.366,1062 1,1063 16.527,1064 2.665,1065 10.339,1066 12.684,1067 3.627,1068 20.24,1069 10.111,1070 3.296,1071 0.538,1072 18.372,1073 2.275,1074 11.338,1075 13.884,1077 22.576,1078 11.087,1079 3.002,1080 11.854,1081 20.23,1082 1.345,1083 12.527,1084 15.421,1085 4.332,1086 25.043,1087 12.26,1088 2.797,1089 10.436,1090 22.099,1091 4.341,1092 13.611,1093 16.731,1095 27.446,1096 13.322,1097 2.637,1098 8.375,1099 23.977,1100 4.046,1101 14.776,1102 18.215,1103 5.048,1104 29.901,1105 14.469,1106 2.433,1107 8.223,1108 25.863,1109 3.769,1110 15.902,1111 19.585,1113 32.334,1114 15.574,1115 2.159,1116 7.402,1117 27.756,1118 3.635,1119 17.063,1120 21.046,1121 5.769,1122 34.789,1123 16.715,1124 2.012,1125 6.067,1126 29.654,1127 3.106,1128 18.21,1129 22.449,1131 37.236,1132 17.841,1133 15175,1134 29191,1135 25.372,1136 35.995,1137 58.124,1138 59.491,1139 59.757,1140 57.645,1141 57.351,1142 77.67,1143 5.263,1144 170.248,1145 54.576,1146 5.451,1147 5.576,1148 6.523,1149 5.346,1150 5.296,1151 7.341,1152 2.873,1153 19.521,1154 5.224,1155 17.759,1156 1.53,1157 1.566,1158 1.573,1159 1.517,1160 1.509,1161 2.044,1162 0.139,1163 4.48,1164 1.436,1165 4.08,1166 4.108,1167 4.095,1168 4.006,1169 8.21,1170 4.012,1171 3.928,1172 3.954,1173 3.891,1174 3.852,1175 8.191,1176 3.854,1177 3.866,1178 3.89,1179 3.868,1180 3.789,1181 7.475,1182 3.794,1183 3.703,1184 3.738,1185 3.767,1186 3.593,1187 6.351,1188 3.601,1189 3.376,1190 3.428,1191 3.386,1192 3.174,1193 5.051,1194 3.2,1195 3.263,1196 3.276,1197 3.243,1198 3.052,1199 4.889,1200 3.086,1201 2.988,1202 3.035,1203 3.156,1204 2.825,1205 4.689,1206 2.822,1207 2.937,1208 2.985,1209 2.913,1210 2.796,1211 4.608,1212 2.807,1213 0.122,1214 0.094,1215 0.184,1216 0.112,1217 0.087,1218 4.647,1219 0.114,1220 3.576,1221 0.038,1222 6.978,1223 0.312,1224 4.274,1225 0.085,1226 3.296,1227 4.341,1228 1.437,1229 11.854,1230 3.224,1231 1.969,1232 1.953,1233 2.023,1234 2.054,1235 1.18,1236 2.046,1237 1.91,1238 1.886,1239 2,1240 2.018,1241 1.091,1242 2.011,1243 1.856,1244 1.833,1245 1.937,1246 1.954,1247 1.059,1248 1.951,1249 1.699,1250 1.663,1251 1.8,1252 1.829,1253 0.927,1254 1.828,1255 1.284,1256 1.234,1257 1.423,1258 1.527,1259 0.459,1260 1.498,1261 1.146,1262 1.133,1263 1.253,1264 1.4,1265 0.323,1266 1.348,1267 0.931,1268 0.886,1269 1.181,1270 1.157,1271 0.225,1272 1.152,1273 0.886,1274 0.829,1275 1.148,1276 1.074,1277 0.218,1278 1.107,1279 4.344,1281 5.694,1283 7.238,1284 2.708,1285 8.872,1286 5.38,1287 10.554,1290 6.234,1291 29.294,1294 9.063,1295 0.109,1296 3.045,1305 35.797,1306 88.421,1307 187.848,1308 227.147,1309 254.366,1310 257.121,1311 257.121,1312 77.827,1313 8.582,1314 87.47,1315 87.47,1316 31,1317 12.937,1318 4.755,1319 3.907,1320 49.916,1321 144,1322 172,1323 0.17,1324 218.527,1325 387.63,1326 524.967,1327 68153,1328 6.1,1329 23.819,1330 0.701,1331 0.534,1332 22.579,1333 18.145,1334 16.402,1335 0.432,1336 0.277,1337 10.043,1338 15.476,1339 9.855,1340 8.084,1341 15.869,1342 10.537,1343 15.313,1344 0.278,1345 0.145,1346 14.657,1347 7.963,1348 12.973,1349 0.173,1350 0.074,1351 12.363,1352 5.587,1353 11.14,1354 0.109,1355 0.038,1356 10.478,1357 3.919,1358 9.422,1359 0.068,1360 0.021,1361 9.236,1362 2.837,1363 0.264,1364 106.198,1365 0.199,1366 31.06,1367 0.474,1368 186,1369 697.579,1370 221.325,1371 657.844,1372 870.54,1373 610,1374 223,1375 605.844,1376 251.391,1377 613.703,1378 905.2,1379 578,1380 5}
{0 CHEMBL260313,1 1.496,2 10.684,5 135.832,6 7.255,8 4.394,9 4.49,10 3.922,11 3.876,12 5.48,13 3.87,14 5.024,15 5.18,16 4.384,17 4.362,18 6.086,19 4.34,20 5.371,21 5.53,22 4.611,23 4.649,24 6.479,25 4.608,26 5.593,27 5.78,28 4.717,29 4.771,30 6.655,31 4.716,32 5.696,33 5.885,34 4.831,35 4.784,36 6.889,37 4.754,38 5.692,39 5.856,40 4.824,41 4.786,42 6.985,43 4.765,44 5.733,45 5.91,46 4.71,47 4.783,48 7.017,49 4.72,50 5.753,51 6,52 4.436,53 4.644,54 6.889,55 4.527,56 0.148,57 0.985,58 15.909,59 7.604,60 25.837,61 9.349,62 0.681,63 1.699,64 33.1,65 13.124,66 77.376,67 16.937,68 0.954,69 2.323,70 47.423,71 18.5,72 138.91,73 23.835,74 1.131,75 2.74,76 61.203,77 22.531,78 163.856,79 29.771,80 1.932,81 2.851,82 70.59,83 23.151,84 235.648,85 30.652,86 2.135,87 2.842,88 69.918,89 22.387,90 295.603,91 28.71,92 2.193,93 2.922,94 73.187,95 23.67,96 319.17,97 31.012,98 2.297,99 2.773,100 79.596,101 22.981,102 325.909,103 32.645,104 109,105 66,106 0.234,107 0.568,108 0.83,109 0.868,110 0.868,111 0.868,112 3.669,113 0.942,114 -1.84,115 -1.9,116 -1.91,119 38.4,120 3,121 5,122 1,123 2,124 1,125 3,127 3,136 4,137 1,138 1,156 2,158 2,172 11,174 2,175 13,180 3,183 16,186 1,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 13,211 3,212 18,215 4,217 3,220 13,223 4,224 15,227 3,229 4,232 12,236 6,237 14,240 1,241 1,242 5,245 9,249 3,250 10,253 2,255 2,258 2,262 2,263 12,266 2,271 4,275 2608,276 24.752,277 24.752,278 24.752,279 24.752,280 24.752,281 23.555,282 31.344,283 13.869,284 25.212,285 20.597,286 20.597,287 20.597,288 20.597,289 20.597,290 18.393,291 38.321,292 6.426,293 21.226,294 4.694,295 2.558,296 0.884,297 0.644,298 0.644,299 0.644,300 4.362,305 1,306 873,307 4.416,310 64.948,311 289.095,314 108.154,315 218.045,318 1.596,319 80.864,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 85.5,331 406,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 2.178,348 14.589,349 3.543,350 4.171,351 3.65,352 6.696,353 3.841,354 2.86,355 3.407,356 1.674,357 10.49,358 2.808,359 4.015,360 3.635,361 6.588,362 3.789,363 2.79,364 3.184,365 1.148,366 10.006,367 2.78,368 3.774,369 3.559,370 5.947,371 3.562,372 2.589,373 2.933,374 0.86,375 8.085,376 2.546,377 3.675,378 3.461,379 5.766,380 3.403,381 2.431,382 2.843,383 0.8,384 7.368,385 2.332,386 3.563,387 2.895,388 5.379,389 3.182,390 2.214,391 2.729,392 0.525,393 6.937,394 2.125,395 3.328,396 2.794,397 5.357,398 3.053,399 2.077,400 2.393,402 5.959,403 1.992,404 3.15,405 2.578,406 5.09,407 2.947,408 1.963,409 2.165,411 5.601,412 1.91,413 2.914,414 2.373,415 4.88,416 2.761,417 1.781,418 1.906,420 4.939,421 1.726,422 2.656,423 2.09,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.481,431 1.842,432 4.282,433 2.268,434 1.311,435 1.418,436 3.488,437 1.242,438 2.429,439 1.722,440 4.12,441 2.03,442 1.106,443 1.275,445 2.737,446 1.008,447 2.112,448 1.616,449 3.823,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.242,458 3.755,459 1.674,460 0.719,461 0.892,463 1.645,464 0.67,465 17.4,466 0.458,467 1.416,468 0.037,469 35.25,470 0.928,471 10.5,472 0.276,473 24.75,474 0.651,475 54.992,476 1.447,477 44.4,478 0.608,479 35.979,480 0.947,481 6.456,482 0.17,483 11.471,484 0.302,485 0.23,486 0.057,487 0.397,493 0.758,494 1.343,495 0.795,496 1.239,497 0.652,498 1.06,499 0.786,500 0.984,501 0.777,502 0.936,503 0.546,504 0.859,505 0.9,506 1.134,507 0.966,508 1.12,509 0.814,510 1.068,511 0.904,512 1.147,513 0.938,514 1.152,515 0.905,516 1.073,517 1.031,518 1.031,519 0.897,520 1.003,521 0.926,522 0.931,523 1.288,524 1.056,525 1.114,526 1.045,527 1.302,528 1.035,529 1.197,530 1.187,531 1.244,532 1.213,533 1.236,534 1.239,535 1.07,536 0.941,537 1.072,538 0.942,539 1.048,540 0.999,541 10.5,542 0.25,543 6.667,544 4.979,545 5.248,546 3.344,547 2.39,548 1.396,549 0.774,550 0.409,551 17139,552 49064,553 2.007,554 47.9,555 9,556 12,557 1,559 2,560 7,561 4,564 1.8,565 1.795,566 3.268,567 0.175,573 109.197,574 1.496,575 3.632,576 5.306,577 5.546,578 5.546,579 5.546,580 2.835,581 4.787,582 5.214,583 3.452,584 2426.45,585 9.265,586 36021.6,591 451.857,592 1.786,593 5.124,594 0.25,595 0.009,596 0.101,597 0.062,598 0.061,599 0.036,600 0.026,601 0.018,602 0.014,603 0.01,604 0.586,605 0.33,606 0.63,607 1.092,608 201.314,609 -0.057,610 -0.07,611 0.04,612 -0.01,613 -0.049,614 0.032,615 0.019,616 0.176,617 0.126,618 0.177,619 0.059,620 0.183,621 -0.044,622 -0.009,623 -0.052,624 -0.019,625 -0.023,626 -0.033,627 -0.035,628 -0.093,630 -0.093,631 -0.073,632 -0.049,633 0.049,634 -0.029,635 0.097,636 0.002,637 0.014,638 0.051,639 -0.063,640 -0.025,641 -0.105,642 -0.043,643 -0.064,644 -0.078,645 -0.047,646 -0.175,647 -0.246,648 -0.213,649 -0.043,650 -0.272,651 -0.027,652 -0.036,653 -0.048,654 -0.022,655 -0.016,656 -0.038,657 2.496,658 6.975,659 0.605,660 37.645,661 1.015,662 1.129,663 0.611,664 0.373,665 0.631,666 3.761,667 4.205,668 4.585,669 4.977,670 5.352,671 5.609,672 5.844,673 6.068,674 6.225,675 6.321,676 6.199,677 0.608,678 529.64,679 3.761,680 5.38,681 6.297,682 7.259,683 8.213,684 9.187,685 10.156,686 11.138,687 12.115,688 13.101,689 1.4,692 1,731 73,733 7,735 42,737 77,738 28,742 8,746 5,747 11,752 3,753 2,754 2,755 8,756 1,758 8,761 10,762 18,763 1,766 7,771 4,773 1,775 9,781 35,782 10,783 2,784 10,790 1,794 0.4,795 9,797 1,811 1,812 4,815 1,816 2,824 2,829 2,831 1,832 4,836 1,838 2,839 1,840 2,844 4,848 38,853 2,854 8,856 3,858 4,859 1,860 2,870 12.3,871 1,872 1,873 4,874 1,875 2,877 21.167,878 14.183,879 8.097,880 4.536,881 1.337,882 1.15,883 0.891,884 6.963,885 10.272,886 3.912,887 4.454,888 4.97,889 5.481,890 6.004,891 6.384,892 6.719,893 7.054,894 7.3,895 7.48,896 1,897 80,898 14.549,900 6.893,901 8.061,902 26.931,904 23.899,905 2.561,906 97.333,910 388.446,911 105.274,912 3.124,914 218.946,917 105.274,918 607.392,919 3.124,920 37.359,921 30.524,922 42.683,923 178.913,924 37.866,925 11.771,926 376.675,928 388.446,929 108.399,930 218.946,933 341.362,934 212.347,935 53.683,937 51.076,938 57.322,941 388.446,942 222.07,943 105.274,946 388.446,947 58.868,948 49.53,950 218.946,951 388.446,952 222.07,953 105.274,955 0.605,956 0.369,957 0.211,958 0.133,959 35,960 18,961 0.065,962 5,963 3,964 1.261,965 4.159,966 435.766,967 0.261,968 23,969 195.421,974 27.263,975 9.706,976 4.138,978 222.07,986 85.367,987 715.791,988 49,993 51.349,995 1.563,997 -1.31,999 74.069,1000 82.441,1001 0.242,1002 0.587,1003 0.857,1004 0.896,1005 0.896,1006 0.896,1007 5.278,1008 2.077,1009 6.382,1010 6.937,1011 4.89,1012 5.142,1013 3.386,1014 7.396,1015 4.844,1016 6.518,1017 1.963,1018 8.08,1019 5.959,1020 4.89,1021 5.231,1022 2.801,1023 8.909,1024 4.856,1025 7.892,1026 1.781,1027 9.897,1028 5.601,1029 6.725,1030 7.238,1031 4.573,1032 12.118,1033 6.658,1034 9.3,1035 1.617,1036 11.79,1037 4.939,1038 7.523,1039 8.102,1040 4.728,1041 14.471,1042 7.471,1043 10.747,1044 1.311,1045 13.732,1046 4.604,1047 8.954,1048 9.701,1049 6.042,1050 17.336,1051 8.882,1052 12.22,1053 1.106,1054 15.712,1055 3.488,1056 10.075,1057 10.892,1058 6.547,1059 19.971,1060 10.008,1061 13.716,1062 1,1063 17.718,1064 2.737,1065 11.403,1066 12.375,1067 7.643,1068 22.757,1069 11.325,1070 3.849,1071 0.719,1072 19.744,1073 2.275,1074 12.648,1075 13.71,1076 8.326,1077 25.483,1078 12.568,1079 3.575,1080 16.383,1081 21.786,1082 1.645,1083 13.96,1084 15.165,1085 9.314,1086 28.255,1087 13.871,1088 2.86,1089 14.589,1090 23.84,1091 4.407,1092 15.252,1093 16.569,1094 10.091,1095 31.012,1096 15.158,1097 2.79,1098 10.49,1099 25.904,1100 3.784,1101 16.567,1102 18.022,1103 11.026,1104 33.784,1105 16.465,1106 2.589,1107 10.006,1108 27.974,1109 3.407,1110 17.879,1111 19.46,1112 11.854,1113 36.554,1114 17.771,1115 2.431,1116 8.085,1117 30.05,1118 3.184,1119 19.2,1120 20.919,1121 12.764,1122 39.33,1123 19.084,1124 2.214,1125 7.368,1126 32.131,1127 2.933,1128 20.522,1129 22.374,1130 13.619,1131 42.107,1132 20.399,1133 16634,1134 28215,1135 26.471,1136 46.04,1137 66.612,1138 69.784,1139 71.421,1140 65.232,1141 65.24,1142 73.729,1143 19.281,1144 213.789,1145 63.484,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 25.311,1156 1.586,1157 1.662,1158 1.701,1159 1.553,1160 1.553,1161 1.755,1162 0.459,1163 5.09,1164 1.512,1165 4.13,1166 4.146,1167 4.084,1168 4.052,1169 7.438,1170 4.056,1171 3.901,1172 3.938,1173 3.825,1174 3.784,1175 7.431,1176 3.788,1177 3.809,1178 3.846,1179 3.714,1180 3.661,1181 7.427,1182 3.667,1183 3.58,1184 3.596,1185 3.498,1186 3.376,1187 7.425,1188 3.395,1189 3.514,1190 3.535,1191 3.444,1192 3.29,1193 6.46,1194 3.317,1195 3.451,1196 3.469,1197 3.365,1198 3.269,1199 6.448,1200 3.29,1201 3.311,1202 3.371,1203 3.159,1204 3.138,1205 4.712,1206 3.128,1207 3.233,1208 3.298,1209 3.05,1210 2.991,1211 4.555,1212 2.993,1213 0.12,1214 0.101,1215 0.197,1216 0.115,1217 0.092,1218 5.02,1219 0.105,1220 4.232,1221 0.058,1222 8.266,1223 0.39,1224 4.842,1225 0.091,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.117,1234 2.129,1235 1.521,1236 2.122,1237 1.822,1238 1.781,1239 1.998,1240 2,1241 1.301,1242 2.002,1243 1.73,1244 1.696,1245 1.904,1246 1.891,1247 1.251,1248 1.893,1249 1.584,1250 1.535,1251 1.828,1252 1.768,1253 1.186,1254 1.787,1255 1.439,1256 1.409,1257 1.696,1258 1.705,1259 0.825,1260 1.692,1261 1.415,1262 1.377,1263 1.658,1264 1.666,1265 0.819,1266 1.661,1267 1.335,1268 1.306,1269 1.557,1270 1.538,1271 0.772,1272 1.54,1273 1.192,1274 1.142,1275 1.513,1276 1.467,1277 0.68,1278 1.457,1279 4.443,1281 5.855,1282 2.398,1283 7.479,1284 4.844,1285 9.22,1286 7.034,1287 11.032,1289 6.429,1294 22.436,1295 2.74,1297 17.148,1299 -2.861,1300 1.818,1301 -1.979,1305 44.41,1306 109.197,1307 265.102,1308 387.328,1309 404.838,1310 404.838,1311 404.838,1312 142.844,1313 8.936,1314 139.67,1315 139.67,1316 29,1317 13.57,1318 3,1319 3,1320 58.328,1321 136,1322 192,1323 0.211,1324 264.658,1325 502.79,1326 637.525,1327 92571,1329 27.568,1330 0.725,1331 0.585,1332 27.568,1333 22.243,1334 17.928,1335 0.427,1336 0.314,1337 12.966,1338 17.012,1339 12.574,1340 10.239,1341 17.928,1342 13.191,1343 17.622,1344 0.267,1345 0.174,1346 17.622,1347 11.503,1348 15.292,1349 0.158,1350 0.096,1351 15.292,1352 9.323,1353 13.346,1354 0.093,1355 0.051,1356 13.346,1357 7.357,1358 11.959,1359 0.057,1360 0.026,1361 11.959,1362 5.542,1363 0.313,1364 114.482,1365 0.194,1366 32.797,1367 0.646,1368 216,1369 686.093,1370 241.774,1371 629.067,1372 828.91,1373 584,1374 271,1375 577.768,1376 296.476,1377 576.399,1378 863.8,1379 540,1380 7.222}
{0 CHEMBL261849,1 1.588,2 12.778,3 3.127,4 9.779,5 106.122,6 7.479,7 0.621,8 3.994,9 4.11,10 3.552,11 3.474,12 5.177,13 3.477,14 4.473,15 4.635,16 3.859,17 3.811,18 5.61,19 3.797,20 4.61,21 4.764,22 3.924,23 3.939,24 5.724,25 3.903,26 4.754,27 4.963,28 3.786,29 3.943,30 5.791,31 3.858,32 4.764,33 5.007,34 3.693,35 3.901,36 5.695,37 3.8,38 4.633,39 4.857,40 3.695,41 3.83,42 5.638,43 3.746,44 4.618,45 4.854,46 3.676,47 3.765,48 5.626,49 3.681,50 4.53,51 4.751,52 3.531,53 3.647,54 5.563,55 3.56,56 0.069,57 0.705,58 10.086,59 4.218,60 12.468,61 5.389,62 0.345,63 1.035,64 18.562,65 7.05,66 31.217,67 8.841,68 0.307,69 1.2,70 20.517,71 7.862,72 27.304,73 10.287,74 0.384,75 1.288,76 25.704,77 9.14,78 45.5,79 12.349,80 0.426,81 1.239,82 27.512,83 9.309,84 43.763,85 12.999,86 0.384,87 1.141,88 23.149,89 8.032,90 36.626,91 11.286,92 0.387,93 1.072,94 23.357,95 8.165,96 37.643,97 11.531,98 0.442,99 0.961,100 21.488,101 7.238,102 39.423,103 9.947,104 21,105 39,106 0.269,107 0.587,108 0.734,109 0.816,110 0.842,111 0.862,112 3.339,113 0.867,114 -3.7,115 -3.67,116 -3.49,119 40.8,121 1,124 2,125 1,142 7,143 3,144 3,145 1,147 1,150 1,163 2,164 2,165 2,172 9,174 1,175 7,177 3,178 3,180 1,183 9,185 1,186 1,187 10,192 1,195 6,197 1,199 8,201 1,202 1,203 1,204 2,206 2,207 2,209 2,210 1,212 7,217 3,220 4,222 3,223 1,224 5,229 2,232 7,234 2,236 2,237 2,239 1,240 1,242 2,245 7,247 2,249 2,250 1,252 1,253 1,255 1,258 5,260 1,262 1,263 2,265 1,266 1,271 4,275 1177,276 18.342,277 18.342,278 18.342,279 18.342,280 18.342,281 16.066,282 26.546,283 10.789,284 18.986,285 14.17,286 14.17,287 14.17,288 14.17,289 14.17,290 10.706,291 34.768,292 4.976,293 15.025,294 4.027,295 2.146,296 1.279,297 0.796,298 0.643,299 0.521,300 4.022,303 1,304 1,305 1,306 729,307 3,311 299.479,318 2.173,319 22.907,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 59,331 345,332 4.308,333 3.258,334 6.188,335 3.914,336 2.951,337 3.955,338 1.151,339 9.236,340 2.848,341 4.199,342 3.074,343 6.074,344 3.771,345 2.825,346 3.841,347 0.86,348 8.785,349 2.669,350 4.031,351 2.904,352 5.48,353 3.614,354 2.641,355 3.633,356 0.86,357 7.336,358 2.572,359 3.6,360 2.65,361 5.25,362 3.235,363 2.288,364 2.928,365 0.68,366 6.652,367 2.16,368 3.472,369 2.507,370 5.104,371 3.116,372 2.17,373 2.76,375 6.253,376 2.042,377 3.357,378 2.168,379 4.915,380 2.935,381 1.993,382 2.655,384 5.633,385 1.866,386 2.919,387 2.109,388 4.388,389 2.519,390 1.604,391 2.058,393 4.222,394 1.46,395 2.823,396 1.567,397 4.125,398 2.351,399 1.417,400 1.952,402 3.648,403 1.319,404 2.5,405 1.311,406 3.414,407 2,408 1,409 1.5,411 2.275,412 1,413 2.083,414 1.014,415 3.319,416 1.783,417 0.876,418 1.022,420 1.972,421 0.785,422 1.737,423 1,424 3.057,425 1.45,426 0.562,427 0.639,428 1.036,429 0.493,430 1.61,431 0.936,432 2.871,433 1.318,434 0.415,435 0.473,436 0.799,437 0.369,438 1.509,439 0.656,440 2.654,441 1.224,442 0.336,443 0.388,445 0.568,446 0.299,447 1.098,448 0.255,449 2.39,450 0.773,451 -0.16,452 -0.19,454 -0.33,455 -0.147,456 0.802,457 -0.133,458 2.358,459 0.433,460 -0.506,461 -0.615,463 -1.081,464 -0.464,465 12.6,466 0.467,467 0.588,468 0.022,469 38,470 1.407,471 20.5,472 0.759,473 17.5,474 0.648,475 18.751,476 0.694,477 29.4,478 0.6,479 28.244,480 1.046,481 7.932,482 0.294,483 5.152,484 0.191,485 0.143,487 0.317,493 0.994,494 1.249,495 0.814,496 1.105,497 1.167,498 0.943,499 1.252,500 0.802,501 0.86,502 0.848,503 0.833,504 0.809,505 1.065,506 1.268,507 1.058,508 1.233,509 0.911,510 1.158,511 1.114,512 1.057,513 1.162,514 1.178,515 1.069,516 1.182,517 1.095,518 0.914,519 1.002,520 0.926,521 1.012,522 0.951,523 0.873,524 1.021,525 0.978,526 1.024,527 0.923,528 1.017,529 0.761,530 0.957,531 0.824,532 1.001,533 0.638,534 0.944,535 1.102,536 1.002,537 1.04,538 1.047,539 0.96,540 1.052,541 6,542 0.144,543 2.889,544 1.25,545 1.529,546 0.764,547 0.505,548 0.438,549 0.271,550 0.172,551 9435,552 26932,553 2.035,554 44.9,555 2,556 15,558 1,559 4,564 1.697,565 1.906,566 3.607,567 1.698,568 1,569 1,573 77.82,574 1.588,575 3.469,576 4.336,577 4.818,578 4.972,579 5.094,580 3.115,581 4.403,582 4.722,583 3.779,584 1326.57,585 8.178,586 17729,588 1,590 1,591 275.121,592 1.399,593 4.685,594 0.207,595 0.008,596 0.074,597 0.031,598 0.046,599 0.025,600 0.016,601 0.015,602 0.011,603 0.009,604 0.442,605 0.17,606 1,607 0.862,608 136.523,609 -0.098,610 -0.053,611 0.034,612 -0.038,613 -0.21,614 0.022,615 -0.056,616 0.259,617 0.084,618 0.18,619 0.093,620 0.151,621 -0.036,622 -0.181,623 -0.151,624 -0.197,625 -0.046,626 -0.192,627 -0.115,628 -0.055,629 -0.205,630 -0.181,631 -0.108,632 -0.206,633 -0.127,634 0.011,635 -0.011,636 0.069,637 -0.108,638 0.052,639 0.02,640 -0.035,641 -0.018,642 -0.026,643 -0.025,644 -0.024,645 0.162,646 -0.024,647 0.159,648 0.001,649 0.221,650 0.064,651 0.044,652 -0.072,653 -0.038,654 -0.059,655 0.031,656 -0.072,657 1.504,658 2.401,659 0.667,660 28.571,661 1.007,662 1.13,663 2.474,664 6.123,665 0.658,666 3.401,667 3.689,668 3.912,669 4.094,670 4.317,671 4.29,672 4.331,673 4.431,674 4.543,675 4.595,676 7.249,677 0.632,678 366.46,679 3.401,680 4.92,681 5.746,682 6.597,683 7.438,684 8.29,685 9.136,686 9.989,687 10.838,688 11.692,689 8.2,693 2,699 2,704 8,705 2,709 8,711 18,722 2,729 3,731 49,733 18,734 2,735 29,737 51,738 20,739 16,740 5,741 7,746 3,747 3,758 1,761 16,762 4,777 1,778 1,781 22,782 7,783 4,784 7,790 4,794 1,795 3,806 1,812 3,840 3,844 2,848 27,849 2,854 2,856 3,870 6.1,875 3,877 14.167,878 9.233,879 6.139,880 2.508,881 3.125,882 1.437,883 0.969,884 6.242,885 10.275,886 3.664,887 4.256,888 4.785,889 5.284,890 5.818,891 5.858,892 6.062,893 6.445,894 6.857,895 7.187,896 0.889,897 40,898 9.878,900 4.013,901 7.753,902 18.659,904 14.486,905 2.253,906 60.833,909 1,910 211.88,911 133.788,912 99.365,914 33,917 133.788,918 244.879,919 99.365,920 21.766,921 7.127,922 132.128,923 45.342,924 67.334,925 4.227,926 200.109,928 211.88,929 233.154,930 33,933 211.88,934 33,937 18.073,938 181.509,939 33.571,941 211.88,942 132.365,943 133.788,946 211.88,947 36.641,948 97.147,950 132.365,951 211.88,952 132.365,953 133.788,955 0.572,956 0.336,957 0.171,958 0.094,959 17,960 8,961 0.137,962 7,964 1,965 3.953,966 215.802,968 18,969 124.382,974 19.109,975 8.819,976 4.949,978 132.365,979 15.119,980 7.978,984 5.508,986 65.794,987 478.033,988 38,999 49.342,1000 55.358,1001 0.283,1002 0.618,1003 0.772,1004 0.858,1005 0.885,1006 0.907,1007 4.871,1008 1.417,1009 5.714,1010 4.222,1011 4.369,1012 4.942,1013 2.019,1014 6.463,1015 4.265,1016 6.07,1017 1,1018 7.239,1019 3.648,1020 3.892,1021 4.691,1023 7.235,1024 3.753,1025 7.365,1026 0.876,1027 8.856,1028 2.275,1029 5.916,1030 7.113,1031 1.963,1032 10.249,1033 5.73,1034 8.692,1035 0.562,1036 10.524,1037 1.972,1038 6.217,1039 7.614,1041 11.791,1042 5.986,1043 10.045,1044 0.415,1045 12.224,1046 1.036,1047 7.7,1048 9.521,1049 2.01,1050 14.312,1051 7.44,1052 11.415,1053 0.336,1054 13.945,1055 0.799,1056 8.369,1057 10.384,1059 16.195,1060 8.06,1061 12.799,1062 -0.16,1063 15.682,1064 0.568,1065 9.62,1066 12.053,1067 2.133,1068 18.531,1069 9.285,1070 2.951,1071 -0.506,1072 17.431,1073 -0.33,1074 10.478,1075 13.116,1077 20.577,1078 10.092,1079 2.825,1080 9.236,1081 19.19,1082 -1.081,1083 11.621,1084 14.656,1085 2.31,1086 22.836,1087 11.209,1088 2.641,1089 8.785,1090 20.957,1091 3.955,1092 12.576,1093 15.836,1095 24.962,1096 12.115,1097 2.288,1098 7.336,1099 22.73,1100 3.841,1101 13.67,1102 17.301,1103 2.523,1104 27.189,1105 13.18,1106 2.17,1107 6.652,1108 24.509,1109 3.633,1110 14.676,1111 18.55,1113 29.356,1114 14.14,1115 1.993,1116 6.253,1117 26.293,1118 2.928,1119 15.75,1120 19.971,1121 2.759,1122 31.57,1123 15.181,1124 1.604,1125 5.633,1126 28.081,1127 2.76,1128 16.782,1129 21.264,1131 33.756,1132 16.17,1133 9211,1134 15682,1135 19.186,1136 32.239,1137 42.226,1138 43.138,1139 43.819,1140 42.075,1141 42.158,1142 55.606,1143 7.102,1144 116.829,1145 39.765,1146 5.146,1147 5.258,1148 5.743,1149 4.983,1150 4.951,1151 6.955,1152 2.302,1153 15.607,1154 4.848,1155 13.949,1156 1.456,1157 1.488,1158 1.511,1159 1.451,1160 1.454,1161 1.917,1162 0.245,1163 4.029,1164 1.371,1165 3.998,1166 4.025,1167 3.948,1168 3.908,1169 5.291,1170 3.913,1171 3.901,1172 3.929,1173 3.844,1174 3.827,1175 4.98,1176 3.826,1177 3.8,1178 3.839,1179 3.762,1180 3.644,1181 4.938,1182 3.669,1183 3.344,1184 3.387,1185 3.23,1186 3.114,1187 4.84,1188 3.136,1189 3.281,1190 3.344,1191 3.129,1192 3.021,1193 4.487,1194 3.037,1195 3.176,1196 3.258,1197 3.007,1198 2.925,1199 4.459,1200 2.931,1201 3.073,1202 3.168,1203 2.9,1204 2.813,1205 4.347,1206 2.81,1207 2.966,1208 3.078,1209 2.787,1210 2.735,1211 4.186,1212 2.715,1213 0.149,1214 0.112,1215 0.213,1216 0.135,1217 0.102,1218 4.308,1219 0.136,1220 3.258,1221 0.04,1222 6.188,1223 0.318,1224 3.914,1225 0.098,1226 2.951,1227 3.955,1228 1.151,1229 9.236,1230 2.848,1231 1.94,1232 1.92,1233 2.039,1234 2.053,1235 1.209,1236 2.047,1237 1.889,1238 1.866,1239 2,1240 1.993,1241 1.132,1242 1.994,1243 1.725,1244 1.685,1245 1.81,1246 1.906,1247 0.866,1248 1.883,1249 1.27,1250 1.224,1251 1.586,1252 1.558,1253 0.629,1254 1.563,1255 1.216,1256 1.148,1257 1.573,1258 1.528,1259 0.573,1260 1.542,1261 1.132,1262 1.056,1263 1.418,1264 1.421,1265 0.528,1266 1.425,1267 1.034,1268 0.948,1269 1.337,1270 1.343,1271 0.374,1272 1.345,1273 0.892,1274 0.821,1275 1.225,1276 1.243,1277 0.218,1278 1.26,1279 4.078,1281 5.371,1283 6.86,1285 8.434,1287 10.048,1289 3.252,1293 11.445,1295 1,1297 16.531,1305 30.971,1306 77.82,1307 169.985,1308 212.45,1309 236.101,1310 243.611,1311 249.611,1312 40.872,1313 7.149,1314 105.51,1315 105.51,1316 18,1317 12.248,1318 4.248,1319 3.322,1320 47.231,1321 117,1322 127,1323 0.196,1324 193.256,1325 331.39,1326 463.306,1327 12254,1329 19.225,1330 0.712,1331 0.567,1332 19.225,1333 15.307,1334 13.084,1335 0.451,1336 0.289,1337 8.215,1338 12.442,1339 7.954,1340 6.669,1341 13.084,1342 8.383,1343 11.371,1344 0.292,1345 0.152,1346 11.371,1347 5.937,1348 9.507,1349 0.194,1350 0.084,1351 9.507,1352 4.093,1353 7.403,1354 0.125,1355 0.044,1356 7.403,1357 2.614,1358 5.978,1359 0.081,1360 0.024,1361 5.978,1362 1.782,1363 0.314,1364 83.083,1365 0.228,1366 26.462,1367 0.516,1368 136,1369 431.121,1370 151.35,1371 410.493,1372 559.5,1373 386,1374 156,1375 407.517,1376 171.074,1377 416.214,1378 597.93,1379 386,1380 5}
{0 CHEMBL270039,1 1.461,2 9.919,3 1.293,4 1.672,5 135.498,6 6.968,8 4.401,9 4.504,10 3.898,11 3.882,12 5.441,13 3.866,14 5.037,15 5.202,16 4.355,17 4.371,18 6.051,19 4.336,20 5.386,21 5.562,22 4.584,23 4.659,24 6.422,25 4.602,26 5.603,27 5.803,28 4.702,29 4.776,30 6.616,31 4.713,32 5.698,33 5.888,34 4.821,35 4.786,36 6.879,37 4.752,38 5.695,39 5.864,40 4.814,41 4.79,42 6.972,43 4.763,44 5.737,45 5.916,46 4.689,47 4.788,48 7,49 4.717,50 5.761,51 6.013,52 4.37,53 4.652,54 6.816,55 4.52,56 0.098,57 1,58 17.004,59 7.775,60 19.671,61 9.87,62 0.593,63 1.727,64 34.587,65 13.455,66 63.99,67 17.839,68 0.766,69 2.367,70 49.488,71 19.063,72 106.876,73 25.448,74 0.866,75 2.769,76 62.881,77 22.774,78 123.214,79 30.869,80 1.729,81 2.85,82 71.529,83 23.13,84 207.331,85 31.077,86 1.923,87 2.848,88 71.477,89 22.476,90 263.391,91 29.541,92 1.99,93 2.928,94 74.573,95 23.762,96 292.142,97 31.774,98 1.94,99 2.781,100 79.363,101 23.034,102 263.425,103 32.989,104 90,105 64,106 0.229,107 0.538,108 0.794,109 0.868,110 0.868,111 0.868,112 3.644,113 0.972,114 -2.65,115 -2.67,116 -2.6,119 37.8,120 3,121 6,122 1,123 2,124 1,125 3,127 3,136 4,137 1,138 1,156 1,158 2,172 13,174 2,175 11,180 3,183 16,186 1,187 13,190 1,192 7,195 15,198 2,199 16,204 4,207 13,211 3,212 18,215 4,217 3,220 14,223 4,224 14,227 3,229 4,232 13,236 6,237 15,240 1,241 1,242 5,245 10,249 1,250 9,253 2,255 3,258 4,262 2,263 11,266 1,271 5,275 2384,276 24.304,277 24.304,278 24.304,279 24.304,280 24.304,281 23.262,282 30.585,283 13.783,284 24.801,285 20.13,286 20.13,287 20.13,288 20.13,289 20.13,290 18.229,291 37.307,292 6.391,293 20.837,294 4.748,295 2.773,296 1.136,297 0.662,298 0.662,299 0.662,300 4.338,305 1,306 791,307 4.359,310 62.035,311 276.742,314 103.28,315 208.727,318 1.497,319 71.634,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 82.5,331 367,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.17,351 3.65,352 6.696,353 3.837,354 2.856,355 3.406,356 1.148,357 10.49,358 2.805,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.006,367 2.779,368 3.731,369 3.461,370 5.947,371 3.469,372 2.529,373 2.904,374 0.8,375 8.078,376 2.369,377 3.567,378 2.902,379 5.766,380 3.314,381 2.362,382 2.73,383 0.525,384 7.353,385 2.231,386 3.461,387 2.838,388 5.362,389 3.176,390 2.21,391 2.509,393 6.745,394 2.117,395 3.198,396 2.593,397 5.298,398 2.977,399 2.001,400 2.22,402 5.903,403 1.932,404 2.934,405 2.373,406 5.086,407 2.771,408 1.788,409 1.927,411 4.939,412 1.738,413 2.66,414 2.093,415 4.624,416 2.579,417 1.617,418 1.65,420 4.605,421 1.545,422 2.618,423 1.843,424 4.282,425 2.455,426 1.478,427 1.565,428 3.488,429 1.439,430 2.447,431 1.741,432 4.126,433 2.264,434 1.302,435 1.396,436 3.21,437 1.24,438 2.274,439 1.668,440 3.838,441 2.001,442 1.087,443 1.189,445 2.589,446 0.983,447 2.107,448 1.429,449 3.797,450 1.984,451 1,452 1,454 2.136,455 0.981,456 2,457 1.223,458 3.518,459 1.649,460 0.691,461 0.86,463 1.603,464 0.645,465 17.067,466 0.461,467 1.31,468 0.035,469 33,470 0.892,471 9,472 0.243,473 24,474 0.649,475 55,476 1.486,477 43.533,478 0.588,479 32.382,480 0.875,481 5.768,482 0.156,483 11.766,484 0.318,485 0.215,486 0.059,487 0.375,493 0.78,494 1.36,495 0.836,496 1.257,497 0.678,498 1.088,499 0.802,500 0.997,501 0.814,502 0.952,503 0.538,504 0.888,505 0.83,506 1.128,507 0.925,508 1.113,509 0.709,510 1.049,511 0.908,512 1.134,513 0.906,514 1.131,515 0.905,516 1.036,517 1.122,518 1.041,519 0.918,520 1.008,521 1.079,522 0.932,523 1.38,524 1.062,525 1.124,526 1.046,527 1.483,528 1.028,529 1.289,530 1.2,531 1.275,532 1.222,533 1.416,534 1.245,535 1.213,536 0.948,537 1.133,538 0.947,539 1.241,540 1.012,541 9.5,542 0.18,543 6.222,544 4.917,545 5.057,546 3.288,547 2.312,548 1.309,549 0.68,550 0.332,551 15800,552 40044,553 2.023,554 50,555 11,556 12,557 1,559 2,560 3,561 8,564 1.795,565 1.82,566 3.192,567 0.162,573 108.144,574 1.461,575 3.436,576 5.074,577 5.547,578 5.547,579 5.547,580 2.707,581 4.939,582 5.177,583 3.371,584 2244.84,585 9.195,586 32735.1,591 459.5,592 1.784,593 5.092,594 0.232,595 0.007,596 0.097,597 0.063,598 0.059,599 0.035,600 0.025,601 0.017,602 0.013,603 0.009,604 0.559,605 0.33,606 0.75,607 1.092,608 193.776,609 -0.051,610 -0.07,611 0.047,612 -0.01,613 -0.05,614 0.032,615 0.032,616 0.171,617 0.117,618 0.169,619 0.076,620 0.167,621 0.002,622 -0.002,623 0.007,624 -0.006,625 0.027,626 0.003,627 -0.022,628 -0.075,629 0.047,630 -0.072,631 -0.052,632 -0.008,633 0.065,634 -0.031,635 0.097,636 -0.001,637 0.022,638 0.046,639 -0.041,640 -0.025,641 -0.085,642 -0.041,643 -0.043,644 -0.068,645 -0.035,646 -0.18,647 -0.254,648 -0.218,649 -0.031,650 -0.278,651 -0.096,652 -0.041,653 -0.11,654 -0.031,655 -0.086,656 -0.068,657 2.423,658 6.976,659 0.622,660 35.008,661 1.008,662 1.13,663 1.421,664 2.02,665 0.626,666 3.738,667 4.174,668 4.564,669 4.963,670 5.333,671 5.595,672 5.832,673 6.05,674 6.201,675 6.292,676 5.96,677 0.598,678 515.66,679 3.738,680 5.352,681 6.271,682 7.233,683 8.189,684 9.166,685 10.136,686 11.12,687 12.099,688 13.086,689 1.4,692 1,731 74,733 6,735 41,737 78,738 28,742 8,746 5,747 11,752 3,753 2,754 2,755 9,756 1,758 9,761 9,762 19,763 1,766 6,771 3,773 1,775 8,781 37,782 9,783 2,784 9,790 1,794 0.4,795 8,797 1,811 1,812 4,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 2,844 4,848 37,853 2,854 9,856 3,858 4,859 1,860 2,870 10.8,871 1,872 1,873 3,874 1,875 2,877 20.333,878 14.267,879 7.931,880 4.744,881 1.228,882 1.139,883 0.892,884 6.933,885 10.088,886 3.871,887 4.407,888 4.942,889 5.464,890 5.984,891 6.363,892 6.7,893 7.012,894 7.256,895 7.42,896 0.857,897 78,898 14.154,900 6.65,901 7.937,902 26.595,904 23.675,905 2.437,906 90.167,910 411.989,911 102.676,912 3.124,914 193.801,917 102.676,918 605.79,919 3.124,920 37.359,921 33.058,922 42.683,923 148.634,924 37.866,925 11.771,926 400.217,928 411.989,929 105.8,930 193.801,933 317.82,934 234.287,935 53.683,937 53.611,938 52.189,941 411.989,942 196.925,943 102.676,946 411.989,947 56.269,948 49.53,950 193.801,951 411.989,952 196.925,953 102.676,955 0.601,956 0.369,957 0.215,958 0.134,959 34,960 17,961 0.064,962 5,963 3,964 1.261,965 4.097,966 421.921,967 0.261,968 23,969 188.75,974 26.613,975 9.639,976 4.029,978 196.925,986 85.367,987 711.59,988 47,993 39.59,995 1.709,997 -0.898,999 74.625,1000 83.647,1001 0.235,1002 0.553,1003 0.817,1004 0.893,1005 0.893,1006 0.893,1007 5.236,1008 2.001,1009 6.351,1010 6.745,1011 4.86,1012 5.094,1013 3.096,1014 7.37,1015 4.805,1016 6.469,1017 1.788,1018 8.05,1019 5.903,1020 4.844,1021 5.165,1022 2.283,1023 8.894,1024 4.798,1025 7.843,1026 1.617,1027 9.872,1028 4.939,1029 6.696,1030 7.191,1031 4.235,1032 12.109,1033 6.618,1034 9.253,1035 1.478,1036 11.769,1037 4.605,1038 7.496,1039 8.059,1040 4.273,1041 14.468,1042 7.433,1043 10.704,1044 1.302,1045 13.717,1046 3.488,1047 8.935,1048 9.67,1049 5.712,1050 17.334,1051 8.854,1052 12.183,1053 1.087,1054 15.701,1055 3.21,1056 10.06,1057 10.867,1058 6.176,1059 19.971,1060 9.986,1061 13.684,1062 1,1063 17.71,1064 2.589,1065 11.393,1066 12.357,1067 7.348,1068 22.757,1069 11.309,1070 3.849,1071 0.691,1072 19.739,1073 2.136,1074 12.64,1075 13.697,1076 8.027,1077 25.483,1078 12.556,1079 3.575,1080 16.383,1081 21.783,1082 1.603,1083 13.954,1084 15.156,1085 9.063,1086 28.255,1087 13.862,1088 2.856,1089 14.589,1090 23.838,1091 4.407,1092 15.248,1093 16.562,1094 9.85,1095 31.012,1096 15.152,1097 2.789,1098 10.49,1099 25.902,1100 3.784,1101 16.564,1102 18.018,1103 10.818,1104 33.784,1105 16.461,1106 2.529,1107 10.006,1108 27.973,1109 3.406,1110 17.877,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.362,1116 8.078,1117 30.05,1118 3.184,1119 19.198,1120 20.917,1121 12.594,1122 39.33,1123 19.082,1124 2.21,1125 7.353,1126 32.131,1127 2.904,1128 20.521,1129 22.372,1130 13.464,1131 42.107,1132 20.398,1133 15297,1134 24473,1135 26.065,1136 46.347,1137 64.868,1138 67.256,1139 69.078,1140 63.606,1141 63.59,1142 71.048,1143 14.924,1144 207.425,1145 61.605,1146 6.02,1147 6.18,1148 8.068,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 23.309,1156 1.582,1157 1.64,1158 1.685,1159 1.551,1160 1.551,1161 1.733,1162 0.364,1163 5.059,1164 1.503,1165 4.13,1166 4.147,1167 4.083,1168 4.053,1169 7.437,1170 4.056,1171 3.899,1172 3.941,1173 3.821,1174 3.784,1175 7.431,1176 3.787,1177 3.802,1178 3.849,1179 3.678,1180 3.665,1181 7.427,1182 3.658,1183 3.579,1184 3.596,1185 3.495,1186 3.376,1187 6.46,1188 3.393,1189 3.514,1190 3.535,1191 3.441,1192 3.29,1193 6.448,1194 3.317,1195 3.446,1196 3.471,1197 3.349,1198 3.27,1199 4.713,1200 3.287,1201 3.31,1202 3.372,1203 3.158,1204 3.138,1205 4.556,1206 3.128,1207 3.232,1208 3.298,1209 3.038,1210 2.991,1211 4.444,1212 2.993,1213 0.122,1214 0.103,1215 0.202,1216 0.118,1217 0.094,1218 5.02,1219 0.107,1220 4.232,1221 0.06,1222 8.266,1223 0.4,1224 4.842,1225 0.093,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.119,1234 2.129,1235 1.521,1236 2.123,1237 1.835,1238 1.784,1239 2.047,1240 2.008,1241 1.398,1242 2.024,1243 1.737,1244 1.699,1245 1.908,1246 1.893,1247 1.262,1248 1.896,1249 1.585,1250 1.535,1251 1.828,1252 1.768,1253 1.187,1254 1.787,1255 1.441,1256 1.409,1257 1.696,1258 1.705,1259 0.826,1260 1.692,1261 1.417,1262 1.378,1263 1.66,1264 1.667,1265 0.825,1266 1.663,1267 1.339,1268 1.307,1269 1.575,1270 1.542,1271 0.783,1272 1.551,1273 1.193,1274 1.142,1275 1.513,1276 1.467,1277 0.699,1278 1.457,1279 4.419,1281 5.826,1282 2.398,1283 7.451,1284 4.844,1285 9.194,1286 7.034,1287 11.009,1289 6.565,1294 22.453,1295 6.027,1297 17.245,1299 -2.683,1300 2.028,1301 -1.87,1305 44.222,1306 108.144,1307 254.261,1308 375.46,1309 410.48,1310 410.48,1311 410.48,1312 128.959,1313 8.86,1314 122.6,1315 122.6,1316 29,1317 13.554,1318 2.807,1319 2.807,1320 55.937,1321 128,1322 163,1323 0.216,1324 263.589,1325 496.64,1326 634.917,1327 83970,1329 26.698,1330 0.722,1331 0.596,1332 26.698,1333 22.042,1334 17.534,1335 0.428,1336 0.324,1337 13.068,1338 16.689,1339 12.675,1340 10.371,1341 17.534,1342 13.28,1343 17,1344 0.266,1345 0.18,1346 17,1347 11.525,1348 14.882,1349 0.157,1350 0.099,1351 14.882,1352 9.358,1353 13.204,1354 0.093,1355 0.053,1356 13.204,1357 7.502,1358 11.668,1359 0.057,1360 0.027,1361 11.668,1362 5.628,1363 0.319,1364 111.542,1365 0.196,1366 31.988,1367 0.669,1368 210,1369 626.358,1370 233.671,1371 575.747,1372 766.71,1373 536,1374 264,1375 542.131,1376 287.815,1377 542.061,1378 816.24,1379 508,1380 6.983}
{0 CHEMBL270553,1 1.432,2 13.233,3 2.577,4 6.641,5 160.142,6 7.045,7 0.125,8 4.525,9 4.627,10 4.037,11 4.044,12 5.574,13 4.022,14 5.145,15 5.303,16 4.484,17 4.526,18 6.16,19 4.485,20 5.499,21 5.672,22 4.703,23 4.809,24 6.519,25 4.744,26 5.723,27 5.922,28 4.807,29 4.926,30 6.711,31 4.849,32 5.834,33 6.036,34 4.91,35 4.937,36 6.964,37 4.881,38 5.823,39 6.011,40 4.886,41 4.914,42 7.042,43 4.866,44 5.822,45 6.013,46 4.761,47 4.883,48 7.048,49 4.803,50 5.82,51 6.069,52 4.51,53 4.762,54 6.87,55 4.64,56 0.072,57 1.124,58 18.772,59 8.872,60 19.919,61 11.125,62 0.542,63 1.957,64 37.653,65 15.418,66 63.632,67 20.066,68 0.693,69 2.704,70 54.38,71 21.973,72 106.725,73 28.862,74 0.761,75 3.225,76 69.838,77 26.687,78 122.969,79 35.617,80 1.668,81 3.4,82 81.208,83 27.675,84 212.899,85 36.845,86 1.896,87 3.345,88 80.836,89 26.289,90 269.49,91 34.398,92 1.945,93 3.307,94 80.819,95 26.609,96 296.221,97 35.006,98 1.793,99 3.157,100 83.658,101 26.048,102 255.891,103 35.961,104 90,105 74,106 0.217,107 0.563,108 0.796,109 0.862,110 0.867,111 0.867,112 3.789,113 0.956,114 -3.55,115 -3.53,116 -3.36,119 40.5,120 3,121 5,122 2,123 2,124 1,125 3,127 3,136 4,137 1,138 1,142 5,143 1,156 1,158 2,172 20,174 2,175 11,180 3,183 26,186 1,187 13,190 1,192 7,195 24,198 2,199 17,204 4,207 18,211 3,212 20,215 4,217 3,220 16,223 4,224 16,227 3,229 4,232 14,236 6,237 16,240 1,241 1,242 5,245 13,249 1,250 11,253 2,255 3,258 9,262 2,263 15,266 1,268 1,271 12,275 3821,276 28.528,277 28.528,278 28.528,279 28.528,280 28.528,281 26.759,282 35.436,283 16.222,284 29.024,285 23.585,286 23.585,287 23.585,288 23.585,289 23.585,290 20.67,291 44.083,292 7.54,293 24.287,294 4.96,295 2.666,296 1.126,297 0.688,298 0.655,299 0.655,300 4.492,305 1,306 1246,307 4.472,310 78.899,311 473.007,314 131.723,315 263.446,318 1.923,319 74.601,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 94.5,331 569,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.174,351 3.65,352 6.696,353 3.881,354 2.896,355 3.55,356 1.148,357 10.49,358 2.86,359 4.077,360 3.56,361 6.588,362 3.812,363 2.819,364 3.406,365 0.86,366 10.006,367 2.798,368 4.015,369 3.461,370 6.143,371 3.786,372 2.788,373 3.184,374 0.8,375 9.054,376 2.773,377 3.728,378 3.104,379 5.945,380 3.447,381 2.501,382 2.904,383 0.525,384 8.071,385 2.354,386 3.567,387 2.892,388 5.765,389 3.267,390 2.319,391 2.73,393 7.349,394 2.189,395 3.466,396 2.78,397 5.361,398 3.174,399 2.209,400 2.56,402 6.713,403 2.114,404 3.224,405 2.58,406 5.287,407 2.977,408 2.001,409 2.321,411 5.903,412 1.933,413 3.092,414 2.373,415 5.086,416 2.804,417 1.813,418 2.169,420 4.939,421 1.786,422 2.917,423 2.092,424 4.624,425 2.748,426 1.769,427 1.915,428 4.606,429 1.717,430 2.657,431 1.87,432 4.449,433 2.578,434 1.617,435 1.649,436 4.5,437 1.544,438 2.579,439 1.838,440 4.282,441 2.271,442 1.316,443 1.543,445 3.488,446 1.245,447 2.5,448 1.716,449 4.119,450 2.18,451 1.189,452 1.5,454 2.833,455 1.176,456 2.448,457 1.599,458 3.823,459 2.001,460 1.077,461 1.401,463 2.599,464 1,465 20.067,466 0.467,467 1.43,468 0.033,469 42.5,470 0.988,471 15,472 0.349,473 27.5,474 0.64,475 62.372,476 1.451,477 48.933,478 0.583,479 41.995,480 0.977,481 7.725,482 0.18,483 12.776,484 0.297,485 0.183,486 0.05,487 0.369,493 0.77,494 1.258,495 0.827,496 1.17,497 0.68,498 1.034,499 0.808,500 0.98,501 0.835,502 0.943,503 0.553,504 0.896,505 0.833,506 1.114,507 0.954,508 1.105,509 0.72,510 1.06,511 0.903,512 1.157,513 0.949,514 1.15,515 0.908,516 1.075,517 1.097,518 1.053,519 0.937,520 1.013,521 1.055,522 0.955,523 1.363,524 1.04,525 1.107,526 1.01,527 1.45,528 1.004,529 1.331,530 1.135,531 1.247,532 1.142,533 1.452,534 1.173,535 1.271,536 0.91,537 1.103,538 0.904,539 1.302,540 0.959,541 10.5,542 0.399,543 7.111,544 5.167,545 5.199,546 3.538,547 2.469,548 1.38,549 0.831,550 0.513,551 27291,552 66848,553 2.058,554 48.8,555 10,556 17,557 1,559 2,560 3,561 8,564 1.824,565 1.87,566 3.548,567 0.091,573 120.321,574 1.432,575 3.726,576 5.266,577 5.705,578 5.737,579 5.737,580 3.047,581 5.054,582 5.389,583 3.781,584 3414.69,585 9.587,586 56447.9,591 536.955,592 1.737,593 5.321,594 0.219,595 0.008,596 0.096,597 0.058,598 0.055,599 0.035,600 0.025,601 0.017,602 0.013,603 0.009,604 0.535,605 0.33,606 0.75,607 1.01,608 240.249,609 -0.044,610 -0.04,611 0.048,612 0.009,613 -0.052,614 0.04,615 0.035,616 0.155,617 0.092,618 0.146,619 0.068,620 0.136,621 0.006,622 -0.022,623 -0.022,624 -0.03,625 0.023,626 -0.03,627 -0.014,628 -0.12,629 0.006,630 -0.113,631 -0.053,632 -0.06,633 0.083,634 -0.06,635 0.077,636 -0.026,637 0.029,638 0.015,639 -0.014,640 -0.03,641 -0.067,642 -0.04,643 -0.026,644 -0.06,645 -0.017,646 -0.136,647 -0.215,648 -0.17,649 -0.021,650 -0.224,651 -0.086,652 0.013,653 -0.064,654 0.021,655 -0.08,656 -0.011,657 2.458,658 7.176,659 0.674,660 51.612,661 1.005,662 1.125,663 2.323,664 5.397,665 0.641,666 3.892,667 4.317,668 4.7,669 5.081,670 5.442,671 5.687,672 5.922,673 6.14,674 6.308,675 6.43,676 7.478,677 0.61,678 591.76,679 3.892,680 5.501,681 6.415,682 7.367,683 8.314,684 9.279,685 10.241,686 11.214,687 12.184,688 13.163,689 1.2,692 1,704 5,709 1,711 6,731 84,733 12,734 1,735 48,737 89,738 34,739 6,740 1,741 5,742 8,746 6,747 12,752 3,753 2,754 2,755 8,756 2,758 8,761 15,762 19,763 2,766 6,771 3,773 1,775 8,781 41,782 9,783 2,784 9,790 1,794 0.5,795 8,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 3,844 4,848 43,853 2,854 8,856 3,858 5,859 1,860 2,870 9.5,871 1,872 1,873 3,874 1,875 2,877 23,878 16.017,879 9.208,880 5.272,881 2.235,882 1.236,883 0.912,884 7.956,885 11.721,886 4.06,887 4.61,888 5.152,889 5.67,890 6.185,891 6.486,892 6.825,893 7.141,894 7.419,895 7.65,896 0.889,897 89,898 16.389,900 7.65,901 7.864,902 30.954,904 27.522,905 2.364,906 101.667,910 459.073,911 150.708,912 3.124,914 193.801,917 150.708,918 652.874,919 3.124,920 37.359,921 30.524,922 90.065,923 148.634,924 41.052,925 11.771,926 447.302,928 459.073,929 153.832,930 193.801,933 364.904,934 234.287,935 53.683,937 51.076,938 102.756,941 459.073,942 196.925,943 150.708,946 459.073,947 56.92,948 96.912,950 193.801,951 459.073,952 196.925,953 150.708,955 0.599,956 0.368,957 0.212,958 0.13,959 39,960 19,961 0.067,962 6,963 3,964 1.207,965 4.656,966 509.556,967 0.207,968 29,969 225.329,974 30.268,975 11.303,976 4.82,978 196.925,979 10.365,984 1.289,986 85.367,987 806.706,988 57,993 40.205,995 1.725,997 -0.991,999 84.392,1000 94.478,1001 0.224,1002 0.583,1003 0.824,1004 0.892,1005 0.898,1006 0.898,1007 5.405,1008 2.209,1009 6.482,1010 7.349,1011 5.004,1012 5.298,1013 3.096,1014 7.477,1015 4.957,1016 6.632,1017 2.001,1018 8.165,1019 6.713,1020 4.934,1021 5.27,1022 2.283,1023 8.952,1024 4.893,1025 7.993,1026 1.813,1027 9.969,1028 5.903,1029 6.812,1030 7.396,1031 4.235,1032 12.158,1033 6.743,1034 9.389,1035 1.769,1036 11.851,1037 4.939,1038 7.571,1039 8.162,1040 4.273,1041 14.494,1042 7.513,1043 10.826,1044 1.617,1045 13.784,1046 4.606,1047 9.016,1048 9.844,1049 5.712,1050 17.352,1051 8.941,1052 12.291,1053 1.316,1054 15.755,1055 4.5,1056 10.114,1057 10.96,1058 6.176,1059 19.98,1060 10.045,1061 13.779,1062 1.189,1063 17.754,1064 3.488,1065 11.444,1066 12.49,1067 7.348,1068 22.763,1069 11.364,1070 3.849,1071 1.077,1072 19.774,1073 2.833,1074 12.677,1075 13.774,1076 8.027,1077 25.487,1078 12.595,1079 3.575,1080 16.383,1081 21.81,1082 2.599,1083 13.985,1084 15.252,1085 9.063,1086 28.257,1087 13.896,1088 2.896,1089 14.589,1090 23.859,1091 4.407,1092 15.271,1093 16.622,1094 9.85,1095 31.013,1096 15.177,1097 2.819,1098 10.49,1099 25.918,1100 3.784,1101 16.582,1102 18.084,1103 10.818,1104 33.785,1105 16.481,1106 2.788,1107 10.006,1108 27.986,1109 3.55,1110 17.891,1111 19.501,1112 11.661,1113 36.555,1114 17.783,1115 2.501,1116 9.054,1117 30.059,1118 3.406,1119 19.209,1120 20.961,1121 12.594,1122 39.33,1123 19.094,1124 2.319,1125 8.071,1126 32.138,1127 3.184,1128 20.529,1129 22.404,1130 13.464,1131 42.107,1132 20.407,1133 25689,1134 40357,1135 31.035,1136 53.87,1137 75.824,1138 77.977,1139 79.794,1140 74.293,1141 74.263,1142 85.897,1143 14.924,1144 238.5,1145 72.277,1146 6.02,1147 6.232,1148 8.068,1149 5.934,1150 5.849,1151 7.407,1152 4.234,1153 25.386,1154 5.82,1155 26.071,1156 1.58,1157 1.625,1158 1.662,1159 1.548,1160 1.547,1161 1.79,1162 0.311,1163 4.969,1164 1.506,1165 4.135,1166 4.153,1167 4.087,1168 4.057,1169 7.437,1170 4.06,1171 3.969,1172 4.008,1173 3.887,1174 3.899,1175 7.431,1176 3.891,1177 3.875,1178 3.898,1179 3.806,1180 3.774,1181 7.427,1182 3.777,1183 3.719,1184 3.773,1185 3.612,1186 3.59,1187 6.46,1188 3.587,1189 3.577,1190 3.594,1191 3.492,1192 3.372,1193 6.448,1194 3.388,1195 3.514,1196 3.533,1197 3.441,1198 3.29,1199 4.764,1200 3.317,1201 3.437,1202 3.461,1203 3.343,1204 3.269,1205 4.704,1206 3.285,1207 3.31,1208 3.37,1209 3.158,1210 3.138,1211 4.555,1212 3.127,1213 0.105,1214 0.088,1215 0.172,1216 0.101,1217 0.08,1218 5.02,1219 0.092,1220 4.232,1221 0.051,1222 8.266,1223 0.341,1224 4.842,1225 0.08,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.034,1232 2.022,1233 2.125,1234 2.131,1235 1.521,1236 2.126,1237 1.962,1238 1.929,1239 2.101,1240 2.064,1241 1.442,1242 2.079,1243 1.78,1244 1.75,1245 1.933,1246 1.921,1247 1.263,1248 1.924,1249 1.696,1250 1.646,1251 1.89,1252 1.854,1253 1.187,1254 1.867,1255 1.584,1256 1.533,1257 1.827,1258 1.767,1259 1.034,1260 1.786,1261 1.439,1262 1.408,1263 1.696,1264 1.705,1265 0.825,1266 1.692,1267 1.414,1268 1.376,1269 1.658,1270 1.662,1271 0.821,1272 1.66,1273 1.336,1274 1.305,1275 1.563,1276 1.53,1277 0.777,1278 1.539,1279 4.575,1281 5.974,1282 2.398,1283 7.588,1284 4.844,1285 9.317,1286 7.034,1287 11.115,1289 6.579,1294 22.736,1295 4.544,1297 17.443,1299 -2.356,1300 2.052,1301 -1.924,1305 51.276,1306 120.321,1307 313.006,1308 442.351,1309 479.18,1310 481.935,1311 481.935,1312 140.831,1313 9.487,1314 122.6,1315 122.6,1316 35,1317 13.636,1318 3.7,1319 3.322,1320 63.467,1321 185,1322 263,1323 0.165,1324 304.967,1325 569.26,1326 735.88,1327 195321,1329 30.681,1330 0.714,1331 0.588,1332 30.681,1333 25.299,1334 20.5,1335 0.427,1336 0.319,1337 15.084,1338 19.655,1339 14.635,1340 11.976,1341 20.5,1342 15.296,1343 19.675,1344 0.266,1345 0.178,1346 19.675,1347 13.149,1348 17.365,1349 0.159,1350 0.099,1351 17.365,1352 10.768,1353 15.282,1354 0.096,1355 0.053,1356 15.282,1357 8.542,1358 13.477,1359 0.059,1360 0.028,1361 13.477,1362 6.422,1363 0.252,1364 129.34,1365 0.18,1366 36.945,1367 0.479,1368 244,1369 692.358,1370 267.671,1371 645.175,1372 866.64,1373 602,1374 305,1375 618.131,1376 328.815,1377 621.899,1378 931.7,1379 584,1380 6.764}
{0 CHEMBL270638,1 1.345,2 12.656,3 4.91,4 24.103,5 124.409,6 8.108,7 0.75,8 4.034,9 4.141,10 3.695,11 3.701,12 5.234,13 3.678,14 4.516,15 4.667,16 4.053,17 4.08,18 5.62,19 4.045,20 4.733,21 4.913,22 4.129,23 4.214,24 5.858,25 4.161,26 4.766,27 4.953,28 4.069,29 4.221,30 5.874,31 4.145,32 4.756,33 4.952,34 4.026,35 4.197,36 5.832,37 4.113,38 4.764,39 4.981,40 3.952,41 4.147,42 5.794,43 4.054,44 4.673,45 4.89,46 3.874,47 4.073,48 5.672,49 3.979,50 4.607,51 4.812,52 3.834,53 4.016,54 5.653,55 3.925,56 0.017,57 0.692,58 7.989,59 3.936,60 10.247,61 4.962,62 0.095,63 1.153,64 15.004,65 6.669,66 16.206,67 8.587,68 0.181,69 1.463,70 20.169,71 8.225,72 30.113,73 10.505,74 0.165,75 1.482,76 21.17,77 8.984,78 34.012,79 11.683,80 0.117,81 1.432,82 21.654,83 9.419,84 31.268,85 12.512,86 0.161,87 1.464,88 23.16,89 9.54,90 33.885,91 12.704,92 0.165,93 1.328,94 21.222,95 8.89,96 26.024,97 11.937,98 0.097,99 1.232,100 19.109,101 8.272,102 24.228,103 11.081,104 12,105 51,106 0.218,107 0.579,108 0.757,109 0.856,110 0.862,111 0.862,112 3.503,113 0.861,114 -4.34,115 -4.27,116 -4.03,119 52.9,120 2,122 1,141 2,142 9,143 4,144 1,145 3,146 2,152 1,158 1,161 1,172 15,174 1,175 10,183 17,186 1,187 10,195 15,198 1,199 10,207 13,212 12,220 12,224 10,232 14,236 1,237 8,245 15,250 5,258 12,262 3,263 6,271 10,275 1922,276 22.093,277 22.093,278 22.093,279 22.093,280 22.093,281 18.685,282 16.541,283 12.931,284 22.386,285 17.714,286 17.714,287 17.714,288 17.714,289 17.714,290 12.436,291 12.075,292 6.073,293 18.212,294 4.327,295 2.092,296 0.996,297 0.383,298 0.343,299 0.343,300 4.214,304 1,305 1,306 889,307 3.317,310 61.264,311 327.813,314 106.842,315 117.63,318 2.051,319 18.671,322 1,323 1,324 1,325 0.4,326 0.5,327 1,328 1,329 0.84,330 66.5,331 405,332 4.817,333 4.149,334 7.105,335 4.318,336 3.364,337 4.886,338 2.517,339 12.358,340 3.216,341 4.301,342 3.435,343 6.272,344 3.842,345 2.858,346 4.01,348 9.361,349 2.819,350 4.161,351 3.062,352 6.011,353 3.719,354 2.736,355 3.683,357 8.499,358 2.679,359 4.062,360 2.969,361 5.635,362 3.527,363 2.539,364 3.595,366 7.42,367 2.507,368 3.769,369 2.839,370 5.385,371 3.326,372 2.347,373 3.183,375 7.043,376 2.297,377 3.653,378 2.593,379 5.191,380 3.139,381 2.162,382 3.02,384 6.476,385 2.109,386 3.404,387 2.322,388 5.009,389 2.8,390 1.835,391 2.614,393 5.448,394 1.767,395 3.257,396 1.986,397 4.822,398 2.723,399 1.762,400 2.52,402 5.083,403 1.691,404 3.192,405 1.783,406 4.191,407 2.459,408 1.495,409 2.221,411 3.574,412 1.439,413 3.095,414 1.629,415 4.007,416 2.39,417 1.411,418 1.996,420 3.151,421 1.379,422 2.712,423 1.523,424 3.64,425 2,426 1,427 1.5,428 2.744,429 1,430 2.5,431 1.003,432 3.414,433 1.957,434 1,435 1.5,436 2.275,437 0.954,438 2.5,439 1,440 3.384,441 1.946,442 0.971,443 1.446,445 2.136,446 0.945,447 2.483,448 1,449 3.247,450 1.758,451 0.8,452 1.323,454 1.941,455 0.764,456 2.247,457 0.895,458 3.141,459 1.526,460 0.56,461 0.93,463 1.355,464 0.541,465 15.5,466 0.484,467 0.709,468 0.022,469 49.5,470 1.547,471 29,472 0.906,473 20.5,474 0.641,475 23.21,476 0.725,477 30.1,478 0.59,479 37.061,480 1.158,481 9.579,482 0.299,483 6.056,484 0.189,485 0.09,487 0.348,493 0.764,494 1.129,495 0.689,496 0.91,497 0.547,498 0.816,499 0.879,500 1.035,501 0.755,502 0.874,503 0.552,504 0.816,505 1.24,506 0.967,507 0.967,508 0.887,509 0.857,510 0.897,511 1.065,512 1.019,513 1.062,514 1.037,515 1.09,516 1.047,517 0.884,518 1.051,519 0.986,520 1.051,521 0.91,522 1.034,523 1.048,524 0.983,525 1.02,526 0.991,527 0.845,528 1,529 0.884,530 0.878,531 0.97,532 0.944,533 0.563,534 0.962,535 0.845,536 1.101,537 0.99,538 1.094,539 0.745,540 1.064,541 5.5,542 0.201,543 3.556,544 2.069,545 2.001,546 1.126,547 0.627,548 0.574,549 0.399,550 0.3,551 14505,552 38125,553 2.154,554 37.3,555 3,556 9,558 3,560 4,564 1.747,565 2.043,566 3.588,567 -0.836,573 68.591,574 1.345,575 3.58,576 4.676,577 5.29,578 5.329,579 5.329,580 3.038,581 4.625,582 4.963,583 3.753,584 1861.61,585 8.699,586 26732.4,588 1,591 289.294,592 1.317,593 4.943,594 0.153,595 0.006,596 0.07,597 0.038,598 0.04,599 0.023,600 0.014,601 0.014,602 0.01,603 0.008,604 0.378,605 0.33,606 0.88,607 0.789,608 167.44,609 0.024,610 -0.151,611 0.06,612 -0.046,613 0.029,614 -0.001,615 0.071,616 -0.035,617 0.092,618 0.028,619 0.001,620 0.056,621 -0.122,622 0.066,623 -0.059,624 0.028,625 -0.056,626 -0.002,627 -0.09,628 -0.028,629 -0.141,630 -0.093,631 -0.12,632 -0.116,633 -0.041,634 -0.1,635 -0.042,636 -0.074,637 -0.044,638 -0.061,639 -0.095,640 -0.012,641 -0.028,643 -0.047,644 -0.005,645 0.001,646 0.078,647 0.02,648 0.057,649 0.034,650 0.044,651 -0.001,652 -0.156,653 -0.023,654 -0.103,655 0.001,656 -0.073,657 1.476,658 3.201,659 0.781,660 37.27,661 0.994,662 1.106,663 3.108,664 9.659,665 0.733,666 3.611,667 3.951,668 4.277,669 4.585,670 4.875,671 5.011,672 5.231,673 5.438,674 5.576,675 5.68,676 7.185,677 0.702,678 413.51,679 3.611,680 5.165,681 6.038,682 6.932,683 7.827,684 8.732,685 9.638,686 10.551,687 11.465,688 12.384,689 9.8,697 1,698 1,699 3,703 4,704 12,705 3,709 5,710 1,711 27,731 51,733 29,734 2,735 36,737 55,738 27,739 21,740 5,741 7,746 5,747 8,752 2,760 3,761 21,762 3,763 1,781 19,782 4,784 5,787 1,790 5,794 0.6,805 2,811 1,812 4,815 1,816 1,819 2,822 1,840 3,844 2,848 32,858 1,861 2,866 1,868 3,877 15.667,878 10.333,879 7.028,880 3.147,881 6.188,882 1.725,883 1.033,884 4.966,885 14.726,886 3.998,887 4.656,888 5.373,889 6.067,890 6.736,891 7.223,892 7.822,893 8.4,894 8.92,895 9.387,896 0.889,897 54,898 11.724,900 4.983,901 7.651,902 22.482,904 18.551,905 2.151,906 68.833,909 1,910 223.651,911 204.389,912 83.315,917 204.389,918 223.651,919 83.315,920 17.65,922 85.286,923 104.6,924 79.275,925 36.205,926 188.338,928 223.651,929 287.704,933 223.651,937 84.367,938 118.919,939 84.418,941 223.651,942 83.315,943 204.389,946 223.651,947 23.647,948 131.978,949 50.663,950 81.416,951 223.651,952 83.315,953 204.389,955 0.582,956 0.35,957 0.191,958 0.107,959 26,960 11,961 0.036,962 2,963 2,964 1.16,965 4.319,966 306.811,967 0.16,968 25,969 154,974 19.652,975 8.087,976 3.667,977 3.719,978 81.416,979 23.243,980 13.452,984 4.647,985 2.137,987 511.355,988 53.5,999 50.694,1000 56.398,1001 0.237,1002 0.631,1003 0.824,1004 0.933,1005 0.939,1006 0.939,1007 5.24,1008 1.762,1009 6.023,1010 5.448,1011 4.635,1012 5.345,1013 2.615,1014 6.866,1015 4.58,1016 6.492,1017 1.495,1018 7.597,1019 5.083,1020 4.205,1021 5.13,1023 7.837,1024 4.124,1025 7.822,1026 1.411,1027 9.274,1028 3.574,1029 6.252,1030 7.672,1031 4.398,1032 10.984,1033 6.141,1034 9.191,1035 1,1036 11.012,1037 3.151,1038 6.673,1039 8.354,1041 12.848,1042 6.523,1043 10.591,1044 1,1045 12.793,1046 2.744,1047 8.172,1048 10.31,1049 6.233,1050 15.533,1051 7.994,1052 12.016,1053 0.971,1054 14.605,1055 2.275,1056 8.995,1057 11.442,1059 17.78,1060 8.767,1061 13.461,1062 0.8,1063 16.44,1064 2.136,1065 10.283,1066 13.156,1067 8.077,1068 20.33,1069 10.023,1070 3.364,1071 0.56,1072 18.294,1073 1.941,1074 11.301,1075 14.52,1077 22.735,1078 10.987,1079 2.858,1080 12.358,1081 20.164,1082 1.355,1083 12.512,1084 16.138,1085 9.923,1086 25.249,1087 12.159,1088 2.736,1089 9.361,1090 22.046,1091 4.886,1092 13.623,1093 17.616,1095 27.718,1096 13.216,1097 2.539,1098 8.499,1099 23.941,1100 4.01,1101 14.813,1102 19.2,1103 11.769,1104 30.226,1105 14.362,1106 2.347,1107 7.42,1108 25.844,1109 3.683,1110 15.968,1111 20.732,1113 32.72,1114 15.464,1115 2.162,1116 7.043,1117 27.756,1118 3.595,1119 17.157,1120 22.309,1121 13.615,1122 35.229,1123 16.605,1124 1.835,1125 6.476,1126 29.675,1127 3.183,1128 18.336,1129 23.867,1131 37.734,1132 17.731,1133 13583,1134 22154,1135 24.561,1136 37.358,1137 56.912,1138 57.473,1139 55.909,1140 54.063,1141 54.108,1142 77.599,1143 5.034,1144 158.32,1145 52.619,1146 5.514,1147 6.149,1148 6.907,1149 5.369,1150 5.364,1151 7.886,1152 5.034,1153 19.814,1154 5.216,1155 13.248,1156 1.581,1157 1.596,1158 1.553,1159 1.502,1160 1.503,1161 2.156,1162 0.14,1163 4.398,1164 1.462,1165 4.21,1166 4.244,1167 4.19,1168 4.113,1169 6.817,1170 4.127,1171 3.927,1172 3.955,1173 3.875,1174 3.87,1175 5.135,1176 3.867,1177 3.873,1178 3.91,1179 3.821,1180 3.788,1181 4.967,1182 3.793,1183 3.711,1184 3.754,1185 3.657,1186 3.6,1187 4.758,1188 3.61,1189 3.476,1190 3.531,1191 3.394,1192 3.353,1193 4.652,1194 3.354,1195 3.313,1196 3.369,1197 3.244,1198 3.192,1199 4.481,1200 3.196,1201 3.093,1202 3.146,1203 2.989,1204 2.991,1205 4.136,1206 2.98,1207 2.983,1208 3.047,1209 2.86,1210 2.842,1211 3.943,1212 2.841,1213 0.134,1214 0.115,1215 0.197,1216 0.12,1217 0.093,1218 4.817,1219 0.136,1220 4.149,1221 0.07,1222 7.105,1223 0.343,1224 4.318,1225 0.089,1226 3.364,1227 4.886,1228 2.517,1229 12.358,1230 3.216,1231 2.072,1232 2.051,1233 2.124,1234 2.155,1235 1.283,1236 2.146,1237 1.931,1238 1.905,1239 2.036,1240 2.017,1241 1.181,1242 2.024,1243 1.837,1244 1.805,1245 1.937,1246 1.948,1247 0.943,1248 1.948,1249 1.57,1250 1.516,1251 1.767,1252 1.764,1253 0.889,1254 1.765,1255 1.525,1256 1.488,1257 1.68,1258 1.65,1259 0.744,1260 1.658,1261 1.389,1262 1.327,1263 1.588,1264 1.555,1265 0.674,1266 1.575,1267 1.145,1268 1.115,1269 1.275,1270 1.246,1271 0.289,1272 1.256,1273 0.96,1274 0.897,1275 1.194,1276 1.163,1277 0.234,1278 1.183,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.844,1285 8.796,1286 7.05,1287 10.48,1289 3.893,1299 -0.143,1303 9.201,1304 8.684,1305 35.795,1306 68.591,1307 182.584,1308 238.5,1309 269.784,1310 271.784,1311 271.784,1312 42.26,1313 8.537,1314 67.39,1315 67.39,1316 29,1317 12.895,1318 4.907,1319 4.209,1320 45.646,1321 132,1322 154,1323 0.164,1324 219.93,1325 372.12,1326 528.389,1327 66766,1329 22.079,1330 0.69,1331 0.554,1332 22.079,1333 17.742,1334 15.635,1335 0.434,1336 0.287,1337 10.258,1338 15.296,1339 9.93,1340 8.274,1341 15.635,1342 10.337,1343 13.95,1344 0.274,1345 0.15,1346 13.95,1347 7.652,1348 12.397,1349 0.175,1350 0.078,1351 12.397,1352 5.507,1353 10.468,1354 0.108,1355 0.04,1356 10.468,1357 3.832,1358 8.908,1359 0.069,1360 0.02,1361 8.908,1362 2.643,1363 0.257,1364 96.028,1365 0.202,1366 29.841,1367 0.454,1368 174,1369 454.226,1370 182.992,1371 463.567,1372 655.37,1373 436,1374 209,1375 502.028,1376 219.047,1377 518.018,1378 755.41,1379 489,1380 7.252}
{0 CHEMBL270746,1 1.449,2 9.27,3 1.307,4 1.709,5 137.161,6 6.812,8 4.412,9 4.519,10 3.881,11 3.878,12 5.475,13 3.856,14 5.035,15 5.21,16 4.362,17 4.355,18 6.061,19 4.326,20 5.367,21 5.523,22 4.6,23 4.676,24 6.453,25 4.624,26 5.677,27 5.888,28 4.712,29 4.831,30 6.673,31 4.75,32 5.77,33 5.983,34 4.831,35 4.823,36 6.914,37 4.775,38 5.709,39 5.874,40 4.837,41 4.811,42 7.005,43 4.784,44 5.78,45 5.959,46 4.706,47 4.82,48 7.061,49 4.747,50 5.797,51 6.046,52 4.376,53 4.7,54 6.873,55 4.556,56 0.086,57 1.011,58 17.767,59 7.898,60 21.005,61 10.208,62 0.587,63 1.71,64 35.267,65 13.287,66 68.819,67 17.927,68 0.712,69 2.389,70 48.793,71 18.824,72 102.587,73 25.121,74 0.842,75 2.938,76 68.242,77 24.599,78 132.791,79 33.995,80 1.775,81 2.983,82 77.774,83 24.457,84 222.942,85 33.952,86 1.825,87 2.886,88 72.872,89 22.816,90 262.876,91 30.477,92 2.122,93 2.998,94 78.944,95 24.324,96 320.077,97 32.932,98 1.859,99 2.866,100 81.248,101 23.822,102 269.879,103 34.501,104 189,105 65,106 0.226,107 0.533,108 0.775,109 0.841,110 0.841,111 0.841,112 3.644,113 0.961,114 -2.65,115 -2.67,116 -2.6,119 36.8,120 6,121 3,122 1,123 2,124 2,125 1,127 3,130 1,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 12,180 3,183 18,186 1,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 14,211 3,212 18,215 4,217 3,220 14,223 4,224 16,227 3,229 4,232 13,236 6,237 13,240 1,241 1,242 6,245 11,249 1,250 10,253 2,255 2,258 3,262 2,263 12,266 1,271 6,275 2361,276 23.207,277 23.207,278 23.207,279 23.207,280 23.207,281 22.165,282 32.166,283 12.69,284 23.704,285 19.571,286 19.571,287 19.571,288 19.571,289 19.571,290 17.67,291 46.575,292 5.817,293 20.27,294 4.799,295 2.832,296 1.278,297 0.856,298 0.856,299 0.856,300 4.319,305 1,306 713,307 5.244,310 63.374,311 192.891,314 105.452,315 213.781,318 1.481,319 71.366,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 82.5,331 343,332 5.02,333 4.232,334 8.266,335 4.842,336 3.85,337 4.408,338 2.455,339 16.383,340 3.82,341 4.618,342 3.782,343 7.865,344 4.567,345 3.576,346 3.79,347 1.674,348 14.589,349 3.543,350 4.329,351 3.65,352 7.063,353 4.249,354 3.291,355 3.442,356 1.148,357 11.398,358 3.151,359 4.103,360 3.568,361 6.691,362 3.803,363 2.813,364 3.238,365 0.86,366 10.446,367 2.794,368 4.014,369 3.477,370 6.582,371 3.779,372 2.784,373 3.182,374 0.8,375 9.974,376 2.755,377 3.692,378 3.449,379 5.929,380 3.41,381 2.453,382 2.863,383 0.525,384 7.974,385 2.327,386 3.563,387 2.887,388 5.757,389 3.179,390 2.213,391 2.729,393 7.297,394 2.122,395 3.241,396 2.632,397 5.36,398 2.987,399 2.017,400 2.282,402 5.959,403 1.937,404 2.968,405 2.374,406 5.092,407 2.779,408 1.796,409 1.964,411 4.939,412 1.746,413 2.725,414 2.112,415 4.624,416 2.579,417 1.618,418 1.682,420 4.609,421 1.545,422 2.651,423 1.928,424 4.432,425 2.459,426 1.518,427 1.637,428 4.138,429 1.419,430 2.447,431 1.835,432 4.282,433 2.258,434 1.291,435 1.393,436 3.488,437 1.236,438 2.158,439 1.699,440 4.092,441 1.95,442 1.053,443 1.107,445 2.48,446 0.934,447 2.071,448 1.425,449 3.818,450 1.602,451 0.639,452 0.79,454 1.527,455 0.599,456 1.818,457 1.208,458 3.685,459 1.506,460 0.52,461 0.64,463 1.187,464 0.507,465 17.067,466 0.461,467 1.675,468 0.045,469 32.5,470 0.878,471 9,472 0.243,473 23.5,474 0.635,475 58.306,476 1.576,477 44.133,478 0.581,479 33.6,480 0.908,481 5.788,482 0.156,483 11.295,484 0.305,485 0.332,486 0.088,487 0.375,493 0.787,494 1.411,495 0.868,496 1.308,497 0.717,498 1.134,499 0.806,500 0.937,501 0.725,502 0.86,503 0.541,504 0.78,505 0.911,506 1.203,507 1.04,508 1.202,509 0.765,510 1.149,511 0.846,512 1.161,513 0.904,514 1.162,515 0.867,516 1.066,517 1.051,518 0.969,519 0.846,520 0.935,521 1.008,522 0.859,523 1.378,524 1.118,525 1.124,526 1.099,527 1.467,528 1.06,529 1.412,530 1.174,531 1.326,532 1.194,533 1.515,534 1.238,535 1.196,536 1.038,537 1.184,538 1.043,539 1.234,540 1.103,541 12,542 0.301,543 7.333,544 5.104,545 5.226,546 3.615,547 2.577,548 1.453,549 0.861,550 0.466,551 14459,552 37853,553 1.912,554 51.3,555 9,556 11,557 1,559 2,560 3,561 13,564 1.795,565 1.675,566 3.133,567 0.162,573 110.106,574 1.449,575 3.416,576 4.97,577 5.392,578 5.392,579 5.392,580 2.673,581 4.919,582 5.178,583 3.335,584 2221.37,585 9.2,586 32475.2,591 474.842,592 1.832,593 5.049,594 0.3,595 0.012,596 0.113,597 0.065,598 0.061,599 0.038,600 0.028,601 0.019,602 0.017,603 0.012,604 0.665,605 0.33,606 0.88,607 1.4,608 193.493,609 -0.049,610 -0.093,611 0.041,612 -0.032,613 -0.079,614 0.015,615 0.051,616 0.235,617 0.227,618 0.266,619 0.093,620 0.286,621 -0.039,622 0.002,623 -0.093,624 -0.049,625 -0.005,626 -0.074,627 -0.003,628 -0.103,629 0.046,630 -0.092,631 -0.051,632 -0.025,633 0.088,634 0.022,635 0.169,636 0.059,637 0.043,638 0.121,639 -0.026,640 -0.056,641 -0.077,642 -0.071,643 -0.021,644 -0.083,645 -0.075,646 -0.147,647 -0.283,648 -0.187,649 -0.054,650 -0.271,651 -0.097,652 -0.113,653 -0.173,654 -0.111,655 -0.088,656 -0.153,657 2.462,658 6.967,659 0.459,660 34.336,661 1.007,662 1.132,663 1.421,664 2.02,665 0.62,666 3.714,667 4.19,668 4.543,669 4.913,670 5.293,671 5.58,672 5.808,673 6.011,674 6.151,675 6.223,676 5.892,677 0.589,678 517.68,679 3.714,680 5.352,681 6.267,682 7.239,683 8.194,684 9.175,685 10.145,686 11.131,687 12.109,688 13.098,689 1.3,692 1,731 76,733 6,735 40,737 79,738 28,742 8,746 4,747 10,752 6,753 2,754 2,755 6,756 1,758 6,761 9,762 19,763 2,766 6,771 3,773 1,775 8,781 39,782 9,783 2,784 9,790 1,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 1,844 8,848 37,853 2,854 4,856 3,858 4,859 1,860 3,870 10.5,871 1,872 1,873 3,874 1,875 2,877 22.083,878 16.017,879 7.764,880 4.544,881 1.153,882 1.133,883 0.861,884 7.073,885 9.796,886 3.85,887 4.419,888 4.927,889 5.438,890 5.964,891 6.36,892 6.675,893 6.977,894 7.203,895 7.365,896 1,897 79,898 14.121,900 6.555,901 7.984,902 26.235,904 22.883,905 2.484,906 91.917,910 435.531,911 125.732,912 3.124,914 193.801,917 125.732,918 629.332,919 3.124,920 72.231,921 21.243,922 42.683,923 148.634,924 37.866,925 11.771,926 423.76,928 435.531,929 128.857,930 193.801,933 282.506,934 293.142,935 53.683,937 68.272,938 60.585,941 435.531,942 196.925,943 125.732,946 435.531,947 44.454,948 84.402,950 193.801,951 435.531,952 196.925,953 125.732,955 0.617,956 0.37,957 0.198,958 0.126,959 34,960 19,961 0.076,962 6,963 3,964 1.353,965 3.927,966 417.124,967 0.353,968 17,969 187.995,974 28.032,975 9.336,976 4.208,978 196.925,986 85.367,987 758.189,988 46,993 39.563,995 1.598,997 -1.202,999 76.509,1000 86.062,1001 0.232,1002 0.547,1003 0.795,1004 0.863,1005 0.863,1006 0.863,1007 5.242,1008 2.017,1009 6.392,1010 7.297,1011 4.875,1012 5.106,1013 3.096,1014 7.433,1015 4.82,1016 6.513,1017 1.796,1018 8.118,1019 5.959,1020 5.017,1021 5.293,1022 2.283,1023 9.022,1024 4.966,1025 7.909,1026 1.618,1027 9.96,1028 4.939,1029 6.774,1030 7.239,1031 4.235,1032 12.191,1033 6.692,1034 9.336,1035 1.518,1036 11.871,1037 4.609,1038 7.655,1039 8.152,1040 4.273,1041 14.55,1042 7.577,1043 10.797,1044 1.291,1045 13.826,1046 4.138,1047 9.054,1048 9.729,1049 5.712,1050 17.394,1051 8.956,1052 12.28,1053 1.053,1054 15.81,1055 3.488,1056 10.203,1057 10.934,1058 6.176,1059 20.018,1060 10.105,1061 13.783,1062 0.639,1063 17.817,1064 2.48,1065 11.517,1066 12.407,1067 7.348,1068 22.792,1069 11.407,1070 3.85,1071 0.52,1072 19.841,1073 1.527,1074 12.765,1075 13.744,1076 8.027,1077 25.509,1078 12.651,1079 3.576,1080 16.383,1081 21.878,1082 1.187,1083 14.065,1084 15.193,1085 9.063,1086 28.274,1087 13.944,1088 3.291,1089 14.589,1090 23.926,1091 4.408,1092 15.352,1093 16.594,1094 9.85,1095 31.026,1096 15.225,1097 2.813,1098 11.398,1099 25.982,1100 3.79,1101 16.657,1102 18.044,1103 10.818,1104 33.794,1105 16.524,1106 2.784,1107 10.446,1108 28.045,1109 3.442,1110 17.961,1111 19.478,1112 11.661,1113 36.561,1114 17.822,1115 2.453,1116 9.974,1117 30.114,1118 3.238,1119 19.273,1120 20.934,1121 12.594,1122 39.335,1123 19.129,1124 2.213,1125 7.974,1126 32.188,1127 3.182,1128 20.587,1129 22.387,1130 13.464,1131 42.11,1132 20.437,1133 14605,1134 23737,1135 23.986,1136 47.108,1137 64.5,1138 67.329,1139 69.582,1140 63.011,1141 63.039,1142 70.48,1143 14.924,1144 213.266,1145 61.034,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.85,1151 7.171,1152 4.234,1153 25.387,1154 5.82,1155 28.369,1156 1.612,1157 1.683,1158 1.74,1159 1.575,1160 1.576,1161 1.762,1162 0.373,1163 5.332,1164 1.526,1165 4.129,1166 4.146,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.89,1172 3.923,1173 3.818,1174 3.78,1175 7.431,1176 3.784,1177 3.761,1178 3.817,1179 3.645,1180 3.617,1181 7.427,1182 3.614,1183 3.578,1184 3.595,1185 3.493,1186 3.37,1187 6.46,1188 3.387,1189 3.514,1190 3.535,1191 3.44,1192 3.29,1193 6.448,1194 3.317,1195 3.441,1196 3.472,1197 3.338,1198 3.266,1199 4.716,1200 3.281,1201 3.311,1202 3.374,1203 3.158,1204 3.138,1205 4.56,1206 3.128,1207 3.236,1208 3.302,1209 3.038,1210 2.991,1211 4.48,1212 2.993,1213 0.126,1214 0.106,1215 0.207,1216 0.121,1217 0.096,1218 5.02,1219 0.11,1220 4.232,1221 0.061,1222 8.266,1223 0.41,1224 4.842,1225 0.095,1226 3.85,1227 4.408,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.128,1235 1.521,1236 2.122,1237 1.8,1238 1.762,1239 1.995,1240 1.967,1241 1.27,1242 1.978,1243 1.715,1244 1.665,1245 1.906,1246 1.882,1247 1.195,1248 1.889,1249 1.584,1250 1.533,1251 1.828,1252 1.768,1253 1.18,1254 1.787,1255 1.441,1256 1.408,1257 1.697,1258 1.705,1259 0.821,1260 1.692,1261 1.417,1262 1.377,1263 1.667,1264 1.666,1265 0.779,1266 1.665,1267 1.344,1268 1.308,1269 1.626,1270 1.562,1271 0.697,1272 1.585,1273 1.195,1274 1.142,1275 1.498,1276 1.467,1277 0.665,1278 1.463,1279 4.394,1281 5.832,1282 2.398,1283 7.47,1284 4.844,1285 9.218,1286 7.034,1287 11.034,1289 14.21,1294 22.433,1295 1.356,1297 17.187,1299 -2.766,1300 1.824,1301 -2.286,1305 44.749,1306 110.106,1307 259.606,1308 377.71,1309 409.784,1310 409.784,1311 409.784,1312 152.209,1313 8.643,1314 122.6,1315 122.6,1316 23,1317 13.565,1318 2.807,1319 2.807,1320 63.868,1321 127,1322 134,1323 0.252,1324 270.982,1325 509,1326 652.957,1327 61964,1329 27.662,1330 0.748,1331 0.622,1332 27.662,1333 23.006,1334 17.083,1335 0.427,1336 0.32,1337 12.605,1338 16.231,1339 11.968,1340 9.926,1341 17.083,1342 12.818,1343 17.763,1344 0.273,1345 0.188,1346 17.763,1347 12.21,1348 14.656,1349 0.158,1350 0.097,1351 14.656,1352 9.037,1353 12.158,1354 0.09,1355 0.049,1356 12.158,1357 6.66,1358 10.853,1359 0.055,1360 0.025,1361 10.853,1362 5.008,1363 0.37,1364 108.864,1365 0.204,1366 31.811,1367 0.784,1368 210,1369 626.358,1370 234.004,1371 578.576,1372 767.17,1373 536,1374 263,1375 543.484,1376 286.649,1377 548.49,1378 818.07,1379 509,1380 6.357}
{0 CHEMBL271184,1 1.491,2 13.233,3 2.005,4 4.021,5 159.906,6 7.142,7 0.125,8 4.52,9 4.624,10 4.044,11 4.018,12 5.58,13 4.004,14 5.136,15 5.298,16 4.489,17 4.491,18 6.166,19 4.462,20 5.474,21 5.646,22 4.705,23 4.777,24 6.514,25 4.723,26 5.697,27 5.891,28 4.807,29 4.905,30 6.701,31 4.835,32 5.825,33 6.025,34 4.91,35 4.925,36 6.96,37 4.873,38 5.816,39 6.002,40 4.887,41 4.903,42 7.04,43 4.859,44 5.818,45 6.01,46 4.766,47 4.868,48 7.052,49 4.792,50 5.81,51 6.06,52 4.516,53 4.738,54 6.864,55 4.62,56 0.095,57 1.143,58 18.391,59 8.429,60 20.555,61 10.667,62 0.62,63 1.968,64 37.233,65 14.301,66 64.878,67 18.899,68 0.813,69 2.675,70 52.771,71 20.549,72 106.599,73 27.055,74 0.83,75 3.154,76 67.514,77 25.645,78 123.961,79 34.181,80 1.772,81 3.348,82 80.251,83 27.001,84 216.295,85 36.051,86 1.982,87 3.3,88 79.883,89 25.767,90 273.663,91 33.793,92 2.128,93 3.267,94 80.449,95 25.996,96 300.267,97 34.464,98 1.907,99 3.088,100 83.164,101 25.113,102 256.267,103 35.24,104 90,105 74,106 0.226,107 0.57,108 0.793,109 0.846,110 0.865,111 0.865,112 3.789,113 0.94,114 -2.91,115 -2.91,116 -2.82,119 39.8,120 3,121 3,122 1,123 2,124 1,125 5,127 3,136 4,137 1,138 1,142 5,144 1,156 1,158 2,172 15,174 2,175 11,180 3,183 19,186 2,187 14,190 1,192 7,195 17,198 2,199 17,204 4,207 11,211 3,212 21,215 4,217 3,220 11,223 4,224 13,227 3,229 4,232 10,236 8,237 15,240 1,241 1,242 3,245 7,249 1,250 9,253 3,255 2,258 4,262 3,263 11,266 1,271 5,275 3821,276 28.528,277 28.528,278 28.528,279 28.528,280 28.528,281 26.759,282 36.175,283 16.222,284 29.137,285 23.585,286 23.585,287 23.585,288 23.585,289 23.585,290 20.67,291 48.557,292 7.54,293 24.474,294 4.884,295 2.61,296 1.143,297 0.792,298 0.663,299 0.663,300 4.492,305 1,306 1246,307 4.472,310 78.899,311 473.007,314 131.723,315 263.446,318 1.923,319 74.47,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 95,331 569,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.174,351 3.65,352 6.696,353 3.856,354 2.896,355 3.55,356 1.148,357 10.49,358 2.808,359 4.077,360 3.56,361 6.588,362 3.794,363 2.819,364 3.406,365 0.86,366 10.006,367 2.781,368 4.015,369 3.461,370 6.143,371 3.776,372 2.788,373 3.184,374 0.8,375 9.054,376 2.688,377 3.728,378 3.139,379 5.945,380 3.446,381 2.501,382 2.904,383 0.8,384 8.071,385 2.353,386 3.567,387 2.892,388 5.765,389 3.265,390 2.319,391 2.73,392 0.525,393 7.349,394 2.183,395 3.466,396 2.769,397 5.361,398 3.173,399 2.209,400 2.56,402 6.713,403 2.113,404 3.224,405 2.577,406 5.287,407 2.976,408 2.001,409 2.321,411 5.903,412 1.932,413 3.092,414 2.373,415 5.086,416 2.789,417 1.813,418 2.169,420 4.939,421 1.756,422 2.917,423 2.093,424 4.624,425 2.738,426 1.769,427 1.915,428 4.606,429 1.701,430 2.657,431 1.95,432 4.449,433 2.578,434 1.617,435 1.649,436 4.5,437 1.544,438 2.579,439 1.841,440 4.282,441 2.271,442 1.316,443 1.543,445 3.488,446 1.244,447 2.5,448 1.716,449 4.119,450 2.166,451 1.189,452 1.5,454 2.833,455 1.158,456 2.448,457 1.598,458 3.823,459 2,460 1.077,461 1.401,463 2.599,464 1,465 19.967,466 0.464,467 1.43,468 0.033,469 43.75,470 1.017,471 15.5,472 0.36,473 28.25,474 0.657,475 60.562,476 1.408,477 49.033,478 0.591,479 43.804,480 1.019,481 8.242,482 0.192,483 12.258,484 0.285,485 0.184,486 0.05,487 0.366,493 0.788,494 1.36,495 0.813,496 1.203,497 0.683,498 1.042,499 0.862,500 0.999,501 0.831,502 0.91,503 0.561,504 0.859,505 0.882,506 1.073,507 0.968,508 1.079,509 0.74,510 1.041,511 0.914,512 1.173,513 0.957,514 1.179,515 0.927,516 1.096,517 1.09,518 1.038,519 0.936,520 1.018,521 1.058,522 0.959,523 1.34,524 1.05,525 1.104,526 1.033,527 1.451,528 1.021,529 1.284,530 1.123,531 1.234,532 1.148,533 1.441,534 1.181,535 1.213,536 0.936,537 1.079,538 0.92,539 1.267,540 0.967,541 10.5,542 0.399,543 7.111,544 5.167,545 5.199,546 3.538,547 2.469,548 1.38,549 0.831,550 0.513,551 27291,552 69000,553 2.058,554 48.2,555 9,556 21,557 1,559 2,560 3,561 4,564 1.824,565 1.87,566 3.548,567 0.114,573 123.786,574 1.491,575 3.765,576 5.232,577 5.583,578 5.712,579 5.712,580 3.047,581 5.054,582 5.389,583 3.781,584 3414.69,585 9.587,586 56447.9,591 529.128,592 1.737,593 5.321,594 0.219,595 0.008,596 0.096,597 0.058,598 0.055,599 0.035,600 0.025,601 0.017,602 0.013,603 0.009,604 0.535,605 0.33,606 0.63,607 1.01,608 240.249,609 -0.05,610 -0.119,611 0.052,612 -0.026,613 -0.057,614 0.023,615 0.009,616 0.157,617 0.097,618 0.163,619 0.063,620 0.156,621 -0.015,622 0.042,623 -0.037,624 -0.008,625 0.014,626 -0.021,627 -0.024,628 -0.133,629 -0.009,630 -0.128,631 -0.06,632 -0.076,633 0.07,634 -0.054,635 0.073,636 -0.023,637 0.026,638 0.018,639 -0.024,640 -0.051,641 -0.074,642 -0.052,643 -0.032,644 -0.07,645 0.002,646 -0.135,647 -0.208,648 -0.171,649 -0.017,650 -0.228,651 -0.064,652 -0.027,653 -0.041,654 0.007,655 -0.069,656 -0.012,657 2.468,658 7.17,659 0.674,660 51.612,661 1.007,662 1.127,663 1.677,664 2.813,665 0.64,666 3.892,667 4.317,668 4.7,669 5.081,670 5.442,671 5.687,672 5.922,673 6.14,674 6.308,675 6.43,676 7.478,677 0.612,678 592.75,679 3.892,680 5.501,681 6.415,682 7.367,683 8.314,684 9.279,685 10.241,686 11.214,687 12.184,688 13.163,689 2.4,692 1,695 1,704 5,709 1,711 6,726 1,731 83,733 12,734 1,735 48,737 88,738 33,739 6,740 1,741 5,742 8,746 6,747 12,752 3,753 2,754 2,755 6,756 1,758 6,761 15,762 18,763 1,766 6,771 3,773 1,775 8,781 40,782 10,783 2,784 10,790 2,794 0.5,795 8,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 3,844 4,848 43,853 2,854 8,856 3,858 4,859 2,860 2,870 9.6,871 1,872 1,873 3,874 1,875 2,877 23,878 15.883,879 9.208,880 5.106,881 2.235,882 1.236,883 0.915,884 7.931,885 11.721,886 4.06,887 4.61,888 5.152,889 5.67,890 6.185,891 6.486,892 6.825,893 7.141,894 7.419,895 7.65,896 0.889,897 89,898 16.372,900 7.619,901 7.88,902 30.796,904 27.139,905 2.38,906 102.333,910 447.302,911 149.421,912 6.249,914 193.801,917 149.421,918 641.103,919 6.249,920 37.359,921 29.666,922 90.065,923 148.634,924 43.747,925 11.771,926 435.531,928 447.302,929 155.67,930 193.801,933 400.217,934 187.202,935 53.683,937 50.219,938 105.451,941 447.302,942 200.05,943 149.421,946 447.302,947 55.634,948 100.036,950 193.801,951 447.302,952 200.05,953 149.421,955 0.599,956 0.368,957 0.212,958 0.13,959 39,960 19,961 0.068,962 6,963 3,964 1.207,965 4.656,966 509.556,967 0.207,968 29,969 225.329,974 30.231,975 11.281,976 4.808,978 200.05,979 10.107,984 1.123,986 85.367,987 796.773,988 57,993 40.184,995 1.698,997 -1.075,999 83.61,1000 93.561,1001 0.234,1002 0.591,1003 0.821,1004 0.876,1005 0.896,1006 0.896,1007 5.405,1008 2.209,1009 6.482,1010 7.349,1011 5.004,1012 5.298,1013 3.138,1014 7.477,1015 4.943,1016 6.632,1017 2.001,1018 8.165,1019 6.713,1020 4.934,1021 5.27,1022 2.321,1023 8.952,1024 4.876,1025 7.993,1026 1.813,1027 9.969,1028 5.903,1029 6.812,1030 7.396,1031 4.242,1032 12.158,1033 6.72,1034 9.389,1035 1.769,1036 11.851,1037 4.939,1038 7.571,1039 8.162,1040 4.278,1041 14.494,1042 7.492,1043 10.826,1044 1.617,1045 13.784,1046 4.606,1047 9.016,1048 9.844,1049 5.713,1050 17.352,1051 8.917,1052 12.291,1053 1.316,1054 15.755,1055 4.5,1056 10.114,1057 10.96,1058 6.177,1059 19.98,1060 10.024,1061 13.779,1062 1.189,1063 17.754,1064 3.488,1065 11.444,1066 12.49,1067 7.348,1068 22.763,1069 11.344,1070 3.849,1071 1.077,1072 19.774,1073 2.833,1074 12.677,1075 13.774,1076 8.027,1077 25.487,1078 12.579,1079 3.575,1080 16.383,1081 21.81,1082 2.599,1083 13.985,1084 15.252,1085 9.063,1086 28.257,1087 13.882,1088 2.896,1089 14.589,1090 23.859,1091 4.407,1092 15.271,1093 16.622,1094 9.85,1095 31.013,1096 15.165,1097 2.819,1098 10.49,1099 25.918,1100 3.784,1101 16.582,1102 18.084,1103 10.818,1104 33.785,1105 16.471,1106 2.788,1107 10.006,1108 27.986,1109 3.55,1110 17.891,1111 19.501,1112 11.661,1113 36.555,1114 17.775,1115 2.501,1116 9.054,1117 30.059,1118 3.406,1119 19.209,1120 20.961,1121 12.594,1122 39.33,1123 19.088,1124 2.319,1125 8.071,1126 32.138,1127 3.184,1128 20.529,1129 22.404,1130 13.464,1131 42.107,1132 20.401,1133 25689,1134 40985,1135 31.035,1136 53.114,1137 75.824,1138 77.966,1139 79.794,1140 74.297,1141 74.263,1142 85.897,1143 16.524,1144 238.5,1145 71.773,1146 6.02,1147 6.232,1148 8.068,1149 5.935,1150 5.849,1151 7.407,1152 4.234,1153 25.386,1154 5.82,1155 26.071,1156 1.58,1157 1.624,1158 1.662,1159 1.548,1160 1.547,1161 1.79,1162 0.344,1163 4.969,1164 1.495,1165 4.133,1166 4.151,1167 4.086,1168 4.055,1169 7.437,1170 4.058,1171 3.947,1172 3.994,1173 3.873,1174 3.848,1175 7.431,1176 3.847,1177 3.874,1178 3.898,1179 3.806,1180 3.774,1181 7.427,1182 3.777,1183 3.713,1184 3.77,1185 3.608,1186 3.558,1187 6.46,1188 3.563,1189 3.576,1190 3.593,1191 3.491,1192 3.358,1193 6.448,1194 3.378,1195 3.514,1196 3.533,1197 3.44,1198 3.29,1199 4.775,1200 3.317,1201 3.427,1202 3.453,1203 3.336,1204 3.252,1205 4.705,1206 3.268,1207 3.31,1208 3.369,1209 3.158,1210 3.136,1211 4.555,1212 3.126,1213 0.105,1214 0.088,1215 0.172,1216 0.101,1217 0.08,1218 5.02,1219 0.092,1220 4.232,1221 0.051,1222 8.266,1223 0.341,1224 4.842,1225 0.08,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.117,1234 2.13,1235 1.521,1236 2.123,1237 1.915,1238 1.878,1239 2.049,1240 2.052,1241 1.308,1242 2.055,1243 1.779,1244 1.749,1245 1.931,1246 1.921,1247 1.255,1248 1.924,1249 1.676,1250 1.618,1251 1.88,1252 1.853,1253 1.186,1254 1.864,1255 1.582,1256 1.53,1257 1.827,1258 1.767,1259 1.029,1260 1.786,1261 1.436,1262 1.405,1263 1.696,1264 1.704,1265 0.825,1266 1.692,1267 1.408,1268 1.369,1269 1.656,1270 1.661,1271 0.817,1272 1.658,1273 1.323,1274 1.291,1275 1.547,1276 1.524,1277 0.77,1278 1.528,1279 4.575,1281 5.974,1282 2.398,1283 7.588,1284 4.844,1285 9.317,1286 7.034,1287 11.115,1289 6.558,1294 22.724,1295 4.042,1297 17.421,1299 -2.787,1300 4.278,1301 -1.939,1305 50.77,1306 123.786,1307 312.499,1308 434.234,1309 463.354,1310 474.109,1311 474.109,1312 137.699,1313 9.487,1314 125.84,1315 125.84,1316 35,1317 13.636,1318 3.7,1319 3.322,1320 63.467,1321 185,1322 263,1323 0.165,1324 302.169,1325 562.96,1326 729.053,1327 195321,1329 30.681,1330 0.714,1331 0.585,1332 30.681,1333 25.169,1334 20.5,1335 0.427,1336 0.313,1337 14.806,1338 19.555,1339 14.374,1340 11.746,1341 20.5,1342 15.047,1343 19.675,1344 0.266,1345 0.173,1346 19.675,1347 12.787,1348 17.365,1349 0.159,1350 0.095,1351 17.365,1352 10.403,1353 15.282,1354 0.096,1355 0.051,1356 15.282,1357 8.203,1358 13.477,1359 0.059,1360 0.027,1361 13.477,1362 6.13,1363 0.252,1364 129.915,1365 0.18,1366 36.945,1367 0.479,1368 244,1369 712.003,1370 270.085,1371 661.717,1372 889.92,1373 618,1374 305,1375 636.948,1376 331.702,1377 638.965,1378 957.54,1379 600,1380 7.252}
{0 CHEMBL271190,1 1.459,2 10.026,3 0.768,4 0.59,5 143.453,6 6.846,8 4.465,9 4.571,10 3.932,11 3.918,12 5.541,13 3.9,14 5.084,15 5.255,16 4.4,17 4.392,18 6.122,19 4.363,20 5.424,21 5.589,22 4.638,23 4.709,24 6.503,25 4.658,26 5.71,27 5.917,28 4.772,29 4.875,30 6.708,31 4.801,32 5.826,33 6.029,34 4.899,35 4.896,36 6.983,37 4.849,38 5.829,39 6.011,40 4.904,41 4.89,42 7.098,43 4.857,44 5.855,45 6.035,46 4.81,47 4.885,48 7.158,49 4.822,50 5.861,51 6.097,52 4.525,53 4.786,54 6.987,55 4.66,56 0.128,57 1.059,58 18.743,59 8.277,60 26.655,61 10.643,62 0.655,63 1.787,64 37.007,65 13.854,66 79.867,67 18.68,68 0.895,69 2.495,70 51.958,71 19.487,72 117.348,73 26.236,74 0.938,75 3.046,76 70.293,77 25.381,78 145.193,79 35.091,80 1.866,81 3.178,82 81.686,83 26.057,84 237.352,85 36.087,86 2.148,87 3.153,88 82.719,89 25.16,90 306.534,91 34.167,92 2.516,93 3.181,94 85.361,95 25.838,96 373.263,97 35.18,98 2.115,99 3.056,100 86.562,101 25.31,102 308.196,103 36.462,104 197,105 67,106 0.225,107 0.535,108 0.779,109 0.852,110 0.852,111 0.852,112 3.694,113 0.965,114 -2.12,115 -2.16,116 -2.14,119 36.3,120 6,121 3,122 1,123 2,124 1,125 3,127 3,130 1,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 12,180 3,183 18,186 1,187 12,190 2,192 7,195 15,198 2,199 16,204 4,207 14,211 3,212 18,215 4,217 7,220 14,223 4,224 16,227 3,229 5,232 13,236 6,237 13,240 3,241 1,242 7,245 11,249 1,250 10,253 2,254 1,255 4,258 3,262 2,263 12,266 2,268 1,271 6,275 2752,276 24.785,277 24.785,278 24.785,279 24.785,280 24.785,281 23.743,282 33.057,283 13.836,284 25.323,285 20.554,286 20.554,287 20.554,288 20.554,289 20.554,290 18.662,291 47.571,292 6.28,293 21.339,294 4.863,295 2.858,296 1.28,297 0.804,298 0.804,299 0.804,300 4.371,305 1,306 812,307 5.431,310 68.876,311 208.36,314 114.553,315 230.725,318 1.516,319 79.582,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.67,328 0.5,329 0.76,330 87.5,331 391,332 5.02,333 4.232,334 8.266,335 4.842,336 3.85,337 4.408,338 2.455,339 16.383,340 3.82,341 4.619,342 3.782,343 7.865,344 4.567,345 3.576,346 3.791,347 1.674,348 14.589,349 3.543,350 4.349,351 3.65,352 7.119,353 4.27,354 3.314,355 3.45,356 1.148,357 11.711,358 3.168,359 4.105,360 3.572,361 6.691,362 3.803,363 2.813,364 3.251,365 0.86,366 10.449,367 2.794,368 4.014,369 3.496,370 6.582,371 3.779,372 2.784,373 3.182,374 0.8,375 9.975,376 2.755,377 3.692,378 3.455,379 5.929,380 3.41,381 2.453,382 2.863,383 0.525,384 7.976,385 2.327,386 3.563,387 2.887,388 5.757,389 3.18,390 2.214,391 2.729,393 7.298,394 2.122,395 3.243,396 2.633,397 5.36,398 2.989,399 2.02,400 2.284,402 5.966,403 1.938,404 2.979,405 2.375,406 5.092,407 2.79,408 1.81,409 1.976,411 4.94,412 1.755,413 2.8,414 2.131,415 4.657,416 2.677,417 1.728,418 1.785,420 4.848,421 1.63,422 2.654,423 2.037,424 4.623,425 2.578,426 1.617,427 1.647,428 4.6,429 1.543,430 2.468,431 1.841,432 4.282,433 2.27,434 1.317,435 1.42,436 3.488,437 1.243,438 2.428,439 1.727,440 4.114,441 2.089,442 1.149,443 1.314,445 2.726,446 1.066,447 2.116,448 1.655,449 3.822,450 1.814,451 0.919,452 0.976,454 1.779,455 0.812,456 1.866,457 1.317,458 3.752,459 1.54,460 0.588,461 0.688,463 1.318,464 0.544,465 17.9,466 0.459,467 1.637,468 0.042,469 33.75,470 0.865,471 9,472 0.231,473 24.75,474 0.635,475 62.547,476 1.604,477 46.9,478 0.586,479 35.86,480 0.919,481 6.082,482 0.156,483 12.039,484 0.309,485 0.307,486 0.084,487 0.358,493 0.821,494 1.406,495 0.876,496 1.304,497 0.759,498 1.131,499 0.821,500 1.007,501 0.762,502 0.914,503 0.587,504 0.832,505 0.884,506 1.142,507 1.014,508 1.141,509 0.747,510 1.103,511 0.81,512 1.159,513 0.882,514 1.158,515 0.811,516 1.056,517 1.014,518 1.06,519 0.889,520 1.032,521 0.969,522 0.947,523 1.317,524 1.06,525 1.079,526 1.042,527 1.398,528 1.008,529 1.329,530 1.133,531 1.26,532 1.151,533 1.408,534 1.186,535 1.178,536 1.093,537 1.193,538 1.098,539 1.202,540 1.143,541 12,542 0.388,543 7.333,544 5.479,545 5.466,546 3.67,547 2.72,548 1.606,549 0.939,550 0.512,551 16741,552 45779,553 1.917,554 51.3,555 9,556 12,557 1,559 3,560 3,561 13,564 1.808,565 1.69,566 3.216,567 0.773,573 116.684,574 1.459,575 3.464,576 5.042,577 5.518,578 5.518,579 5.518,580 2.684,581 4.458,582 5.254,583 3.41,584 2526.57,585 9.351,586 38394.5,591 505.754,592 1.845,593 5.133,594 0.286,595 0.012,596 0.109,597 0.067,598 0.06,599 0.037,600 0.027,601 0.019,602 0.016,603 0.011,604 0.644,605 0.33,606 0.75,607 1.557,608 207.796,609 -0.067,610 -0.072,611 0.03,612 -0.013,613 -0.088,614 0.024,615 0.028,616 0.178,617 0.184,618 0.226,619 0.065,620 0.241,621 -0.033,622 0.065,623 -0.07,624 0.004,625 -0.009,626 -0.032,627 -0.004,628 -0.078,629 0.058,630 -0.07,631 -0.039,632 -0.003,633 0.066,634 -0.04,635 0.112,636 -0.009,637 0.028,638 0.051,639 -0.045,640 -0.023,641 -0.042,642 -0.03,643 -0.049,644 -0.034,645 -0.035,646 -0.107,647 -0.221,648 -0.142,649 -0.018,650 -0.216,651 -0.085,652 -0.144,653 -0.184,654 -0.145,655 -0.071,656 -0.183,657 2.527,658 7.053,659 0.436,660 37.992,661 1.009,662 1.134,663 0.886,664 0.785,665 0.617,666 3.761,667 4.22,668 4.575,669 4.956,670 5.323,671 5.602,672 5.838,673 6.045,674 6.192,675 6.277,676 6.17,677 0.587,678 547.71,679 3.761,680 5.389,681 6.301,682 7.27,683 8.222,684 9.202,685 10.17,686 11.155,687 12.131,688 13.119,689 1.3,692 1,731 80,733 6,735 42,737 83,738 29,742 8,746 4,747 10,752 7,753 2,754 2,755 6,756 1,758 6,761 9,762 20,763 2,766 6,771 3,773 1,775 8,781 41,782 10,783 3,784 10,790 1,794 0.25,795 9,796 1,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 3,839 1,840 1,844 7,848 39,853 3,854 6,856 3,858 4,859 1,860 3,870 11.3,871 2,872 1,873 3,874 1,875 2,877 23.083,878 16.217,879 8.347,880 4.794,881 1.186,882 1.136,883 0.851,884 8.003,885 9.923,886 3.892,887 4.443,888 4.949,889 5.468,890 5.986,891 6.387,892 6.709,893 7.016,894 7.249,895 7.427,896 0.857,897 82,898 14.908,900 6.921,901 8.036,902 27.569,904 23.96,905 2.536,906 98.917,910 447.302,911 119.442,912 3.124,914 236.484,917 119.442,918 683.786,919 3.124,920 63.834,921 23.349,922 85.367,923 148.634,924 37.866,925 11.771,926 435.531,928 447.302,929 122.566,930 236.484,933 294.278,934 293.142,935 96.367,937 70.377,938 52.189,941 447.302,942 239.609,943 119.442,946 447.302,947 46.56,948 76.006,950 236.484,951 447.302,952 239.609,953 119.442,955 0.607,956 0.364,957 0.206,958 0.13,959 34,960 19,961 0.096,962 8,963 3,964 1.353,965 4.062,966 445.616,967 0.353,968 17,969 201.376,974 29.945,975 10.423,976 4.702,978 239.609,986 128.05,987 806.352,988 48,993 39.839,995 1.525,997 -1.601,999 80.72,1000 90.687,1001 0.231,1002 0.548,1003 0.798,1004 0.873,1005 0.873,1006 0.873,1007 5.273,1008 2.02,1009 6.415,1010 7.298,1011 4.905,1012 5.13,1013 3.096,1014 7.452,1015 4.847,1016 6.534,1017 1.81,1018 8.135,1019 5.966,1020 5.017,1021 5.293,1022 2.283,1023 9.033,1024 4.966,1025 7.924,1026 1.728,1027 9.973,1028 4.94,1029 6.792,1030 7.251,1031 4.235,1032 12.206,1033 6.706,1034 9.347,1035 1.617,1036 11.882,1037 4.848,1038 7.66,1039 8.155,1040 4.273,1041 14.562,1042 7.58,1043 10.806,1044 1.317,1045 13.836,1046 4.6,1047 9.065,1048 9.735,1049 5.712,1050 17.406,1051 8.964,1052 12.289,1053 1.149,1054 15.82,1055 3.488,1056 10.211,1057 10.938,1058 6.176,1059 20.029,1060 10.11,1061 13.79,1062 0.919,1063 17.827,1064 2.726,1065 11.527,1066 12.412,1067 7.348,1068 22.801,1069 11.413,1070 3.85,1071 0.588,1072 19.85,1073 1.779,1074 12.773,1075 13.748,1076 8.027,1077 25.517,1078 12.656,1079 3.576,1080 16.383,1081 21.887,1082 1.318,1083 14.074,1084 15.197,1085 9.063,1086 28.28,1087 13.949,1088 3.314,1089 14.589,1090 23.934,1091 4.408,1092 15.36,1093 16.597,1094 9.85,1095 31.031,1096 15.229,1097 2.813,1098 11.711,1099 25.99,1100 3.791,1101 16.665,1102 18.047,1103 10.818,1104 33.798,1105 16.528,1106 2.784,1107 10.449,1108 28.053,1109 3.45,1110 17.969,1111 19.48,1112 11.661,1113 36.565,1114 17.826,1115 2.453,1116 9.975,1117 30.121,1118 3.251,1119 19.281,1120 20.936,1121 12.594,1122 39.338,1123 19.132,1124 2.214,1125 7.976,1126 32.195,1127 3.182,1128 20.595,1129 22.389,1130 13.464,1131 42.112,1132 20.441,1133 16914,1134 28042,1135 25.372,1136 49.324,1137 66.9,1138 69.896,1139 72.238,1140 65.472,1141 65.509,1142 72.957,1143 14.924,1144 218.867,1145 63.292,1146 6.02,1147 6.181,1148 8.027,1149 5.935,1150 5.85,1151 7.172,1152 4.234,1153 25.387,1154 5.82,1155 29.442,1156 1.593,1157 1.664,1158 1.72,1159 1.559,1160 1.56,1161 1.737,1162 0.355,1163 5.211,1164 1.507,1165 4.13,1166 4.147,1167 4.084,1168 4.053,1169 7.437,1170 4.057,1171 3.894,1172 3.929,1173 3.821,1174 3.782,1175 7.431,1176 3.786,1177 3.777,1178 3.827,1179 3.667,1180 3.631,1181 7.427,1182 3.63,1183 3.578,1184 3.595,1185 3.493,1186 3.371,1187 6.462,1188 3.387,1189 3.514,1190 3.536,1191 3.44,1192 3.291,1193 6.455,1194 3.317,1195 3.461,1196 3.517,1197 3.339,1198 3.278,1199 6.448,1200 3.288,1201 3.396,1202 3.428,1203 3.236,1204 3.191,1205 4.714,1206 3.192,1207 3.309,1208 3.365,1209 3.158,1210 3.132,1211 4.557,1212 3.123,1213 0.12,1214 0.101,1215 0.197,1216 0.115,1217 0.092,1218 5.02,1219 0.105,1220 4.232,1221 0.058,1222 8.266,1223 0.39,1224 4.842,1225 0.091,1226 3.85,1227 4.408,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.022,1233 2.117,1234 2.128,1235 1.521,1236 2.122,1237 1.808,1238 1.768,1239 1.999,1240 1.978,1241 1.275,1242 1.986,1243 1.719,1244 1.673,1245 1.906,1246 1.885,1247 1.217,1248 1.89,1249 1.584,1250 1.533,1251 1.828,1252 1.768,1253 1.185,1254 1.787,1255 1.453,1256 1.41,1257 1.729,1258 1.705,1259 0.948,1260 1.701,1261 1.429,1262 1.385,1263 1.696,1264 1.682,1265 0.815,1266 1.691,1267 1.39,1268 1.345,1269 1.654,1270 1.653,1271 0.765,1272 1.653,1273 1.304,1274 1.269,1275 1.539,1276 1.514,1277 0.677,1278 1.517,1279 4.443,1281 5.866,1282 2.398,1283 7.496,1284 4.844,1285 9.24,1286 7.034,1287 11.053,1289 12.143,1294 32.238,1295 1.251,1297 17.214,1299 -2.916,1300 1.754,1301 -2.531,1305 46.991,1306 116.684,1307 277.13,1308 403.376,1309 441.45,1310 441.45,1311 441.45,1312 171.268,1313 8.737,1314 142.83,1315 142.83,1316 23,1317 13.587,1318 2.807,1319 2.807,1320 69.384,1321 140,1322 167,1323 0.246,1324 284.571,1325 535.09,1326 686.113,1327 69751,1329 29.077,1330 0.746,1331 0.612,1332 29.077,1333 23.868,1334 18.121,1335 0.431,1336 0.322,1337 13.273,1338 17.188,1339 12.689,1340 10.472,1341 18.121,1342 13.504,1343 18.347,1344 0.274,1345 0.187,1346 18.347,1347 12.516,1348 14.97,1349 0.156,1350 0.095,1351 14.97,1352 9.143,1353 12.978,1354 0.092,1355 0.051,1356 12.978,1357 7.13,1358 11.429,1359 0.056,1360 0.026,1361 11.429,1362 5.217,1363 0.364,1364 115.714,1365 0.199,1366 33.284,1367 0.76,1368 218,1369 666.507,1370 243.776,1371 612.306,1372 807.71,1373 568,1374 272,1375 564.351,1376 297.034,1377 566.938,1378 847.5,1379 528,1380 5.955}
{0 CHEMBL271191,1 1.491,2 9.059,3 0.797,4 0.635,5 124.079,6 7.098,8 4.303,9 4.401,10 3.803,11 3.766,12 5.409,13 3.758,14 4.908,15 5.067,16 4.258,17 4.235,18 5.979,19 4.213,20 5.232,21 5.386,22 4.512,23 4.53,24 6.33,25 4.495,26 5.489,27 5.665,28 4.655,29 4.685,30 6.568,31 4.64,32 5.64,33 5.828,34 4.755,35 4.717,36 6.829,37 4.684,38 5.644,39 5.821,40 4.708,41 4.705,42 6.901,43 4.667,44 5.674,45 5.874,46 4.533,47 4.651,48 6.932,49 4.568,50 5.606,51 5.867,52 4.134,53 4.437,54 6.688,55 4.294,56 0.146,57 0.888,58 15.166,59 6.96,60 25.623,61 8.638,62 0.616,63 1.492,64 30.159,65 11.791,66 70.455,67 15.349,68 0.781,69 2.036,70 41.668,71 16.351,72 105.942,73 21.209,74 0.902,75 2.48,76 55.125,77 20.322,78 135.284,79 26.878,80 1.822,81 2.66,82 67.293,83 21.543,84 217.709,85 28.952,86 1.986,87 2.655,88 67.786,89 21.042,90 256.186,91 28.044,92 2.149,93 2.627,94 71.084,95 21.343,96 303.144,97 29.288,98 1.931,99 2.285,100 69.249,101 18.918,102 255.273,103 27.728,104 120,105 58,106 0.239,107 0.572,108 0.814,109 0.881,110 0.885,111 0.89,112 3.563,113 0.948,114 -2.05,115 -2.1,116 -2.08,119 37.3,120 4,121 3,122 1,123 2,124 1,125 2,127 3,136 4,138 2,154 1,158 2,172 11,174 2,175 9,180 4,183 15,186 1,187 9,191 1,192 10,195 15,198 2,199 12,204 8,207 12,211 2,212 14,215 5,217 7,220 12,223 1,224 12,227 5,228 1,229 4,232 11,236 4,237 12,240 3,241 1,242 5,245 7,249 1,250 7,253 2,255 3,258 1,262 2,263 8,266 1,271 2,275 1828,276 22.158,277 22.158,278 22.158,279 22.158,280 22.158,281 20.895,282 28.203,283 12.595,284 22.7,285 18.096,286 18.096,287 18.096,288 18.096,289 18.096,290 15.972,291 32.955,292 5.732,293 18.86,294 4.576,295 2.495,296 0.978,297 0.564,298 0.534,299 0.504,300 4.244,304 1,305 1,306 646,307 4.528,310 55.422,311 171.092,314 92.403,315 189.942,318 1.363,319 68.631,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 76.5,331 308,332 5.025,333 4.211,334 8.266,335 4.839,336 3.849,337 4.436,338 2.455,339 16.382,340 3.809,341 4.618,342 3.765,343 7.865,344 4.566,345 3.575,346 3.791,347 1.674,348 14.589,349 3.543,350 4.151,351 3.634,352 6.693,353 3.809,354 2.825,355 3.387,356 1.148,357 10.462,358 2.777,359 4.067,360 3.556,361 6.584,362 3.747,363 2.787,364 3.292,365 0.86,366 9.98,367 2.67,368 3.661,369 3.062,370 5.927,371 3.412,372 2.458,373 2.79,374 0.6,375 7.958,376 2.324,377 3.509,378 2.889,379 5.756,380 3.18,381 2.214,382 2.651,383 0.525,384 7.29,385 2.12,386 3.276,387 2.609,388 5.36,389 2.981,390 2.019,391 2.34,393 5.947,394 1.93,395 3.029,396 2.304,397 5.091,398 2.769,399 1.797,400 2.034,402 4.939,403 1.72,404 2.9,405 2.22,406 4.624,407 2.577,408 1.619,409 1.878,411 4.606,412 1.542,413 2.651,414 1.913,415 4.282,416 2.477,417 1.545,418 1.643,420 3.488,421 1.433,422 2.429,423 1.809,424 4.15,425 2.247,426 1.298,427 1.379,428 3.284,429 1.222,430 2.221,431 1.583,432 3.89,433 1.996,434 1.082,435 1.155,436 2.282,437 0.978,438 1.877,439 1.369,440 3.809,441 1.65,442 0.722,443 0.786,445 1.533,446 0.659,447 1.689,448 1.1,449 3.291,450 1.44,451 0.52,452 0.566,454 1.192,455 0.472,456 1.552,457 0.774,458 3.253,459 1.196,460 0.254,461 0.302,463 0.54,464 0.237,465 15.567,466 0.458,467 1.242,468 0.037,469 30.75,470 0.904,471 9,472 0.265,473 21.75,474 0.64,475 49.081,476 1.444,477 40.233,478 0.6,479 30.123,480 0.886,481 5.728,482 0.168,483 10.288,484 0.303,485 0.268,486 0.064,487 0.385,493 0.852,494 1.314,495 0.843,496 1.243,497 0.799,498 1.072,499 0.808,500 0.952,501 0.76,502 0.919,503 0.579,504 0.837,505 0.881,506 1.119,507 0.914,508 1.112,509 0.782,510 1.033,511 0.955,512 1.21,513 0.945,514 1.208,515 0.939,516 1.098,517 1.072,518 1.07,519 0.941,520 1.044,521 0.979,522 0.975,523 1.238,524 1.092,525 1.123,526 1.086,527 1.244,528 1.077,529 1.19,530 1.121,531 1.228,532 1.149,533 1.32,534 1.192,535 1.151,536 0.925,537 1.124,538 0.924,539 1.179,540 1.005,541 9,542 0.098,543 6.222,544 4.979,545 4.906,546 3.198,547 2.148,548 1.082,549 0.585,550 0.255,551 11518,552 33124,553 1.96,554 49.3,555 9,556 10,558 1,559 3,560 3,561 7,564 1.776,565 1.744,566 3.058,567 0.84,573 99.867,574 1.491,575 3.571,576 5.088,577 5.502,578 5.532,579 5.562,580 2.626,581 4.595,582 5.055,583 3.228,584 1810.63,585 8.959,586 24940.7,591 406.428,592 1.809,593 4.952,594 0.243,595 0.008,596 0.107,597 0.068,598 0.061,599 0.037,600 0.027,601 0.017,602 0.015,603 0.01,604 0.594,605 0.33,606 0.88,607 1.437,608 172.58,609 -0.082,610 -0.029,611 0.026,612 0.011,613 -0.094,614 0.04,615 0.036,616 0.208,617 0.16,618 0.214,619 0.071,620 0.221,621 -0.018,622 0.033,623 0.006,624 0.024,625 -0.004,626 0.024,627 -0.051,628 -0.123,629 -0.005,630 -0.119,631 -0.067,632 -0.062,633 0.049,634 -0.059,635 0.059,636 -0.032,637 0.024,638 0.008,639 -0.031,640 -0.067,641 -0.11,642 -0.086,643 -0.034,644 -0.112,645 -0.025,646 -0.142,647 -0.213,648 -0.179,649 -0.028,650 -0.236,651 -0.085,652 -0.047,653 -0.1,654 -0.031,655 -0.078,656 -0.064,657 2.417,658 5.954,659 0.5,660 28.913,661 1.013,662 1.132,663 0.817,664 0.668,665 0.624,666 3.638,667 4.078,668 4.477,669 4.883,670 5.252,671 5.525,672 5.746,673 5.94,674 6.061,675 6.105,676 5.499,677 0.6,678 475.59,679 3.638,680 5.252,681 6.176,682 7.146,683 8.109,684 9.093,685 10.071,686 11.06,687 12.043,688 13.035,689 1.5,698 1,731 67,733 6,735 37,737 70,738 25,742 8,746 4,747 10,752 4,753 2,754 2,755 6,756 1,758 6,761 9,762 16,763 1,766 6,771 2,773 1,774 1,775 8,781 33,782 9,783 3,784 9,790 1,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,823 1,829 2,831 2,832 4,838 3,839 1,840 1,844 5,848 34,853 3,854 5,856 3,858 4,860 2,870 11.9,871 1,872 2,873 2,874 1,875 2,877 19.5,878 13.3,879 7.431,880 4.153,881 1.384,882 1.163,883 0.86,884 6.577,885 9.868,886 3.784,887 4.344,888 4.89,889 5.447,890 5.999,891 6.41,892 6.772,893 7.119,894 7.386,895 7.503,896 1,897 73,898 12.942,900 6.013,901 8.034,902 23.936,904 20.834,905 2.534,906 86.167,910 353.133,911 96.658,912 16.786,914 211.34,917 96.658,918 564.473,919 16.786,920 46.184,921 14.302,922 42.683,923 181.858,924 51.528,926 341.362,928 353.133,929 113.443,930 211.34,933 270.735,934 240.054,935 53.683,937 66.388,938 38.008,939 9.047,941 353.133,942 228.125,943 96.658,946 353.133,947 41.427,948 55.231,950 228.125,951 353.133,952 228.125,953 96.658,955 0.597,956 0.37,957 0.219,958 0.139,959 30,960 16,961 0.086,962 6,963 3,964 1.353,965 3.794,966 371.112,967 0.353,968 17,969 172.974,974 25.116,975 8.904,976 3.616,978 228.125,986 128.05,987 677.916,988 43,993 25.119,995 1.348,996 4.179,997 -0.75,999 67.858,1000 75.817,1001 0.246,1002 0.589,1003 0.839,1004 0.907,1005 0.912,1006 0.917,1007 5.147,1008 1.797,1009 6.267,1010 5.947,1011 4.762,1012 5.03,1013 3.085,1014 7.307,1015 4.696,1016 6.4,1017 1.619,1018 7.983,1019 4.939,1020 4.796,1021 5.13,1022 2.243,1023 8.872,1024 4.741,1025 7.787,1026 1.545,1027 9.82,1028 4.606,1029 6.624,1030 7.174,1031 4.232,1032 12.088,1033 6.533,1034 9.21,1035 1.298,1036 11.73,1037 3.488,1038 7.462,1039 8.049,1040 4.269,1041 14.461,1042 7.385,1043 10.671,1044 1.082,1045 13.689,1046 3.284,1047 8.892,1048 9.685,1049 5.711,1050 17.328,1051 8.796,1052 12.158,1053 0.722,1054 15.68,1055 2.282,1056 10.038,1057 10.883,1058 6.176,1059 19.968,1060 9.946,1061 13.667,1062 0.52,1063 17.695,1064 1.533,1065 11.37,1066 12.394,1067 7.348,1068 22.755,1069 11.267,1070 3.849,1071 0.254,1072 19.728,1073 1.192,1074 12.627,1075 13.736,1076 8.027,1077 25.482,1078 12.521,1079 3.575,1080 16.382,1081 21.775,1082 0.54,1083 13.942,1084 15.21,1085 9.063,1086 28.254,1087 13.827,1088 2.825,1089 14.589,1090 23.832,1091 4.436,1092 15.24,1093 16.62,1094 9.85,1095 31.011,1096 15.119,1097 2.787,1098 10.462,1099 25.898,1100 3.791,1101 16.557,1102 18.086,1103 10.818,1104 33.784,1105 16.427,1106 2.458,1107 9.98,1108 27.97,1109 3.387,1110 17.872,1111 19.53,1112 11.661,1113 36.554,1114 17.734,1115 2.214,1116 7.958,1117 30.047,1118 3.292,1119 19.194,1120 20.999,1121 12.594,1122 39.329,1123 19.046,1124 2.019,1125 7.29,1126 32.129,1127 2.79,1128 20.517,1129 22.461,1130 13.464,1131 42.106,1132 20.36,1133 11609,1134 19743,1135 22.887,1136 41.824,1137 58.447,1138 60.089,1139 63.696,1140 57.07,1141 57.137,1142 64.87,1143 14.524,1144 188.97,1145 54.881,1146 6.016,1147 6.157,1148 8.125,1149 5.93,1150 5.849,1151 7.284,1152 4.234,1153 25.384,1154 5.809,1155 23.415,1156 1.58,1157 1.624,1158 1.722,1159 1.542,1160 1.544,1161 1.753,1162 0.393,1163 5.107,1164 1.483,1165 4.126,1166 4.143,1167 4.08,1168 4.054,1169 7.435,1170 4.057,1171 3.879,1172 3.904,1173 3.809,1174 3.774,1175 7.431,1176 3.777,1177 3.605,1178 3.666,1179 3.512,1180 3.429,1181 6.534,1182 3.438,1183 3.559,1184 3.587,1185 3.453,1186 3.323,1187 6.448,1188 3.343,1189 3.512,1190 3.532,1191 3.423,1192 3.302,1193 6.392,1194 3.325,1195 3.363,1196 3.406,1197 3.236,1198 3.185,1199 4.748,1200 3.185,1201 3.311,1202 3.358,1203 3.16,1204 3.125,1205 4.625,1206 3.116,1207 3.227,1208 3.3,1209 3.03,1210 3.004,1211 4.543,1212 3.004,1213 0.136,1214 0.114,1215 0.223,1216 0.131,1217 0.104,1218 5.025,1219 0.12,1220 4.211,1221 0.066,1222 8.266,1223 0.443,1224 4.839,1225 0.103,1226 3.849,1227 4.436,1228 2.455,1229 16.382,1230 3.809,1231 2.035,1232 2.024,1233 2.118,1234 2.126,1235 1.526,1236 2.121,1237 1.767,1238 1.74,1239 1.921,1240 1.917,1241 1.268,1242 1.917,1243 1.594,1244 1.541,1245 1.84,1246 1.786,1247 1.187,1248 1.806,1249 1.547,1250 1.478,1251 1.82,1252 1.763,1253 0.969,1254 1.781,1255 1.433,1256 1.4,1257 1.696,1258 1.704,1259 0.82,1260 1.692,1261 1.397,1262 1.357,1263 1.656,1264 1.651,1265 0.765,1266 1.653,1267 1.273,1268 1.231,1269 1.533,1270 1.486,1271 0.675,1272 1.502,1273 1.21,1274 1.158,1275 1.496,1276 1.481,1277 0.605,1278 1.465,1279 4.317,1281 5.727,1282 2.398,1283 7.358,1284 4.844,1285 9.114,1286 7.034,1287 10.945,1289 8.319,1294 33.55,1295 1.866,1297 16.967,1299 -2.598,1301 -1.834,1305 40.169,1306 99.867,1307 239.282,1308 340.879,1309 368.654,1310 370.654,1311 372.654,1312 127.728,1313 8.484,1314 134.88,1315 134.88,1316 23,1317 13.5,1318 2.807,1319 2.807,1320 55.966,1321 110,1322 144,1323 0.259,1324 242.205,1325 457.1,1326 582.741,1327 51004,1329 24.999,1330 0.735,1331 0.596,1332 24.999,1333 20.252,1334 16.016,1335 0.433,1336 0.316,1337 11.488,1338 15.192,1339 11.078,1340 9.097,1341 16.016,1342 11.69,1343 15.402,1344 0.266,1345 0.171,1346 15.402,1347 9.947,1348 13.443,1349 0.155,1350 0.093,1351 13.443,1352 8.079,1353 11.921,1354 0.091,1355 0.049,1356 11.921,1357 6.472,1358 10.514,1359 0.055,1360 0.025,1361 10.514,1362 4.838,1363 0.378,1364 102.324,1365 0.209,1366 29.608,1367 0.819,1368 190,1369 596.772,1370 212.977,1371 548.637,1372 727.94,1373 510,1374 240,1375 512.821,1376 262.483,1377 512.793,1378 770.64,1379 480,1380 5}
{0 CHEMBL271257,1 1.469,2 11.727,3 2.098,4 4.402,5 165.989,6 6.918,7 0.125,8 4.56,9 4.67,10 4.05,11 4.045,12 5.621,13 4.023,14 5.168,15 5.343,16 4.475,17 4.503,18 6.183,19 4.466,20 5.479,21 5.645,22 4.692,23 4.788,24 6.525,25 4.725,26 5.751,27 5.964,28 4.818,29 4.915,30 6.727,31 4.841,32 5.843,33 6.046,34 4.946,35 4.948,36 6.979,37 4.904,38 5.854,39 6.03,40 4.96,41 4.992,42 7.08,43 4.946,44 5.935,45 6.134,46 4.919,47 5.023,48 7.143,49 4.945,50 5.959,51 6.194,52 4.777,53 4.957,54 7.054,55 4.855,56 0.071,57 1.196,58 20.104,59 8.902,60 20.349,61 11.568,62 0.632,63 2.005,64 39.739,65 14.768,66 65.058,67 19.978,68 0.68,69 2.684,70 53.785,71 21.357,72 102.694,73 28.353,74 0.819,75 3.26,76 73.092,77 26.227,78 126.967,79 36.214,80 1.759,81 3.42,82 82.587,83 26.52,84 210.539,85 36.267,86 1.839,87 3.494,88 82.854,89 27.417,90 264.037,91 36.385,92 2.024,93 3.722,94 90.423,95 29.808,96 295.566,97 40.594,98 1.862,99 3.653,100 94.386,101 29.426,102 266.374,103 41.264,104 141,105 73,106 0.221,107 0.566,108 0.816,109 0.866,110 0.87,111 0.87,112 3.811,113 0.953,114 -2.82,115 -2.83,116 -2.74,119 38.6,120 3,121 3,122 1,123 2,124 3,125 4,127 3,136 4,137 1,138 1,142 5,143 1,156 1,158 2,172 17,174 2,175 10,180 3,183 21,186 2,187 14,190 1,192 7,195 18,198 2,199 18,204 4,207 12,211 3,212 21,215 4,217 3,220 14,223 4,224 15,227 3,229 4,232 15,236 8,237 20,240 1,241 1,242 4,245 12,249 1,250 15,253 3,255 4,258 8,262 3,263 13,266 1,268 2,271 9,275 3942,276 28.735,277 28.735,278 28.735,279 28.735,280 28.735,281 26.942,282 35.605,283 16.514,284 29.34,285 23.597,286 23.597,287 23.597,288 23.597,289 23.597,290 20.661,291 45.964,292 7.725,293 24.46,294 4.991,295 2.69,296 1.027,297 0.696,298 0.665,299 0.665,300 4.503,305 1,306 1097,307 5.292,310 82.316,311 377.867,314 137.139,315 273.478,318 1.707,319 74.813,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 97,331 516,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.785,347 1.674,348 14.589,349 3.543,350 4.174,351 3.65,352 6.696,353 3.844,354 2.864,355 3.466,356 1.148,357 10.49,358 2.808,359 4.015,360 3.56,361 6.588,362 3.789,363 2.79,364 3.394,365 0.916,366 10.007,367 2.781,368 3.928,369 3.461,370 5.95,371 3.602,372 2.636,373 3.183,374 0.86,375 8.137,376 2.558,377 3.714,378 3.011,379 5.769,380 3.414,381 2.452,382 2.899,383 0.8,384 7.578,385 2.336,386 3.565,387 2.884,388 5.548,389 3.225,390 2.284,391 2.73,392 0.525,393 7.258,394 2.145,395 3.415,396 2.634,397 5.36,398 3.175,399 2.212,400 2.49,401 0.172,402 6.156,403 2.109,404 3.22,405 2.582,406 5.1,407 3.006,408 2.066,409 2.243,411 5.852,412 1.94,413 3.102,414 2.382,415 5.032,416 2.925,417 1.966,418 2.146,420 5,421 1.859,422 2.932,423 2.349,424 4.624,425 2.761,426 1.782,427 1.986,428 4.939,429 1.725,430 2.824,431 2.087,432 4.599,433 2.578,434 1.617,435 1.867,436 4.604,437 1.544,438 2.655,439 1.841,440 4.282,441 2.416,442 1.424,443 1.647,445 3.488,446 1.411,447 2.5,448 1.719,449 4.119,450 2.267,451 1.309,452 1.5,454 3.062,455 1.242,456 2.465,457 1.618,458 3.823,459 2.026,460 1.104,461 1.415,463 2.708,464 1.005,465 20.467,466 0.465,467 1.523,468 0.035,469 43.25,470 0.983,471 15,472 0.341,473 28.25,474 0.642,475 64.222,476 1.46,477 50.933,478 0.579,479 46.523,480 1.057,481 8.381,482 0.19,483 12.441,484 0.283,485 0.228,486 0.049,487 0.357,493 0.793,494 1.406,495 0.853,496 1.253,497 0.699,498 1.092,499 0.894,500 0.892,501 0.839,502 0.851,503 0.574,504 0.821,505 0.872,506 1.19,507 1.003,508 1.198,509 0.776,510 1.138,511 0.907,512 1.132,513 0.884,514 1.098,515 0.91,516 1.005,517 1.169,518 0.979,519 0.933,520 0.946,521 1.093,522 0.896,523 1.344,524 1.1,525 1.123,526 1.083,527 1.467,528 1.064,529 1.169,530 1.117,531 1.127,532 1.126,533 1.309,534 1.123,535 1.237,536 1.009,537 1.076,538 0.988,539 1.267,540 1,541 11.5,542 0.395,543 6.667,544 5.292,545 5.377,546 3.399,547 2.676,548 1.715,549 1.124,550 0.737,551 25997,552 65558,553 1.993,554 50,555 9,556 25,557 1,559 2,560 3,561 4,564 1.834,565 1.796,566 3.432,567 0.103,573 129.241,574 1.469,575 3.769,576 5.432,577 5.763,578 5.794,579 5.794,580 2.858,581 4.942,582 5.427,583 3.648,584 3450.59,585 9.688,586 58096.3,591 568.43,592 1.763,593 5.342,594 0.24,595 0.007,596 0.091,597 0.061,598 0.056,599 0.032,600 0.025,601 0.017,602 0.013,603 0.01,604 0.553,605 0.33,606 0.63,607 1.276,608 245.747,609 -0.043,610 -0.134,611 0.048,612 -0.042,613 -0.064,614 0.009,615 0.005,616 0.273,617 0.117,618 0.227,619 0.065,620 0.208,621 0.004,622 -0.057,623 -0.063,624 -0.084,625 0.007,626 -0.086,627 -0.002,628 -0.098,629 0.081,630 -0.06,631 -0.039,632 0.013,633 0.057,634 0.038,635 0.091,636 0.043,637 0.028,638 0.072,639 -0.019,640 -0.06,641 -0.094,642 -0.064,643 -0.035,644 -0.09,645 0.041,646 -0.104,647 -0.111,648 -0.124,649 0.024,650 -0.147,651 -0.067,652 -0.058,653 -0.053,654 -0.032,655 -0.052,656 -0.04,657 2.502,658 7.269,659 0.523,660 50.281,661 1.004,662 1.129,663 1.592,664 2.536,665 0.632,666 3.892,667 4.304,668 4.654,669 5.037,670 5.398,671 5.652,672 5.894,673 6.114,674 6.267,675 6.373,676 7.117,677 0.6,678 608.8,679 3.892,680 5.493,681 6.392,682 7.34,683 8.28,684 9.245,685 10.204,686 11.179,687 12.149,688 13.131,689 2.3,692 2,704 5,709 1,711 6,731 88,733 12,734 1,735 48,737 92,738 34,739 6,740 1,741 5,742 8,746 5,747 11,752 3,753 2,754 2,755 6,756 1,758 6,761 15,762 19,763 1,766 6,771 3,773 1,775 8,781 44,782 10,783 2,784 10,790 2,794 0.4,795 8,797 1,811 1,812 4,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 2,844 6,848 44,853 2,854 7,856 3,858 4,859 2,860 2,870 9.1,871 1,872 1,873 3,874 1,875 2,877 24.5,878 17.383,879 9.514,880 5.231,881 2.029,882 1.223,883 0.897,884 9.28,885 11.14,886 4.06,887 4.6,888 5.116,889 5.637,890 6.158,891 6.467,892 6.82,893 7.164,894 7.442,895 7.674,896 0.875,897 87,898 16.738,900 7.63,901 7.883,902 31.393,904 26.98,905 2.383,906 104.833,910 494.386,911 164.537,912 6.249,914 193.801,917 164.537,918 688.187,919 6.249,920 54.151,921 27.561,922 90.065,923 148.634,924 44.176,925 11.771,926 482.615,928 494.386,929 170.786,930 193.801,933 447.302,934 187.202,935 53.683,937 51.237,938 119.548,941 494.386,942 200.05,943 164.537,946 494.386,947 53.957,948 116.829,950 193.801,951 494.386,952 200.05,953 164.537,955 0.595,956 0.351,957 0.201,958 0.126,959 36,960 19,961 0.109,962 10,963 3,964 1.261,965 4.586,966 518.117,967 0.261,968 23,969 232.215,974 32.584,975 12.532,976 5.73,978 200.05,979 9.821,984 1.025,986 85.367,987 858.973,988 57,993 40.505,995 1.678,997 -1.23,999 88.378,1000 99.391,1001 0.227,1002 0.584,1003 0.841,1004 0.892,1005 0.897,1006 0.897,1007 5.396,1008 2.212,1009 6.46,1010 7.258,1011 4.99,1012 5.288,1013 3.162,1014 7.447,1015 4.933,1016 6.624,1017 2.066,1018 8.138,1019 6.156,1020 4.934,1021 5.27,1022 2.321,1023 8.926,1024 4.88,1025 7.981,1026 1.966,1027 9.94,1028 5.852,1029 6.788,1030 7.38,1031 4.249,1032 12.133,1033 6.706,1034 9.374,1035 1.782,1036 11.82,1037 5,1038 7.55,1039 8.144,1040 4.28,1041 14.477,1042 7.481,1043 10.808,1044 1.617,1045 13.754,1046 4.939,1047 8.987,1048 9.824,1049 5.714,1050 17.34,1051 8.902,1052 12.271,1053 1.424,1054 15.727,1055 4.604,1056 10.09,1057 10.937,1058 6.177,1059 19.973,1060 10.012,1061 13.757,1062 1.309,1063 17.729,1064 3.488,1065 11.419,1066 12.469,1067 7.348,1068 22.758,1069 11.333,1070 3.849,1071 1.104,1072 19.752,1073 3.062,1074 12.656,1075 13.753,1076 8.027,1077 25.484,1078 12.57,1079 3.575,1080 16.383,1081 21.792,1082 2.708,1083 13.967,1084 15.233,1085 9.063,1086 28.255,1087 13.874,1088 2.864,1089 14.589,1090 23.844,1091 4.407,1092 15.256,1093 16.604,1094 9.85,1095 31.012,1096 15.159,1097 2.79,1098 10.49,1099 25.906,1100 3.785,1101 16.57,1102 18.068,1103 10.818,1104 33.784,1105 16.466,1106 2.636,1107 10.007,1108 27.976,1109 3.466,1110 17.881,1111 19.486,1112 11.661,1113 36.554,1114 17.771,1115 2.452,1116 8.137,1117 30.052,1118 3.394,1119 19.201,1120 20.949,1121 12.594,1122 39.33,1123 19.085,1124 2.284,1125 7.578,1126 32.132,1127 3.183,1128 20.523,1129 22.393,1130 13.464,1131 42.107,1132 20.399,1133 25319,1134 40357,1135 30.342,1136 55.637,1137 75.162,1138 77.245,1139 79.607,1140 73.643,1141 73.604,1142 85.215,1143 17.102,1144 233.486,1145 71.204,1146 6.02,1147 6.232,1148 8.068,1149 5.935,1150 5.849,1151 7.407,1152 4.234,1153 25.386,1154 5.82,1155 29.498,1156 1.566,1157 1.609,1158 1.658,1159 1.534,1160 1.533,1161 1.775,1162 0.356,1163 4.864,1164 1.483,1165 4.133,1166 4.15,1167 4.086,1168 4.055,1169 7.437,1170 4.059,1171 3.93,1172 3.968,1173 3.855,1174 3.856,1175 7.431,1176 3.85,1177 3.866,1178 3.889,1179 3.795,1180 3.769,1181 7.427,1182 3.771,1183 3.696,1184 3.773,1185 3.574,1186 3.506,1187 6.46,1188 3.514,1189 3.582,1190 3.606,1191 3.494,1192 3.371,1193 6.448,1194 3.387,1195 3.515,1196 3.556,1197 3.441,1198 3.293,1199 4.768,1200 3.317,1201 3.493,1202 3.523,1203 3.381,1204 3.279,1205 4.701,1206 3.301,1207 3.323,1208 3.387,1209 3.18,1210 3.147,1211 4.554,1212 3.14,1213 0.105,1214 0.088,1215 0.172,1216 0.101,1217 0.08,1218 5.02,1219 0.092,1220 4.232,1221 0.051,1222 8.266,1223 0.341,1224 4.842,1225 0.08,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.117,1234 2.128,1235 1.521,1236 2.122,1237 1.916,1238 1.884,1239 2.047,1240 2.017,1241 1.273,1242 2.028,1243 1.768,1244 1.741,1245 1.923,1246 1.915,1247 1.214,1248 1.919,1249 1.651,1250 1.579,1251 1.888,1252 1.877,1253 1.185,1254 1.884,1255 1.584,1256 1.53,1257 1.828,1258 1.769,1259 1.087,1260 1.788,1261 1.461,1262 1.414,1263 1.698,1264 1.706,1265 0.835,1266 1.698,1267 1.428,1268 1.386,1269 1.69,1270 1.692,1271 0.798,1272 1.689,1273 1.37,1274 1.329,1275 1.644,1276 1.622,1277 0.743,1278 1.629,1279 4.575,1281 5.964,1282 2.398,1283 7.561,1284 4.844,1285 9.277,1286 7.034,1287 11.07,1289 10.466,1294 22.86,1295 3.03,1297 17.509,1299 -2.855,1300 4.012,1301 -1.986,1305 52.824,1306 129.241,1307 331.683,1308 478.026,1309 507.146,1310 509.901,1311 509.901,1312 161.485,1313 9.111,1314 125.84,1315 125.84,1316 29,1317 13.603,1318 3.7,1319 3.322,1320 73.16,1321 183,1322 218,1323 0.195,1324 319.155,1325 592.62,1326 770.498,1327 116937,1329 31.974,1330 0.727,1331 0.601,1332 31.974,1333 26.462,1334 20.821,1335 0.434,1336 0.318,1337 15.003,1338 19.86,1339 14.429,1340 11.924,1341 20.821,1342 15.255,1343 20.073,1344 0.275,1345 0.181,1346 20.073,1347 13.188,1348 16.701,1349 0.161,1350 0.096,1351 16.701,1352 10.031,1353 14.577,1354 0.095,1355 0.051,1356 14.577,1357 7.791,1358 12.886,1359 0.059,1360 0.027,1361 12.886,1362 5.847,1363 0.293,1364 132.05,1365 0.182,1366 37.211,1367 0.58,1368 242,1369 710.003,1370 267.086,1371 661.879,1372 880.8,1373 616,1374 298,1375 619.54,1376 323.841,1377 627.88,1378 932.97,1379 584,1380 7.18}
{0 CHEMBL271413,1 1.497,2 10.744,3 0.424,4 0.18,5 143.943,6 6.895,8 4.464,9 4.573,10 3.953,11 3.923,12 5.505,13 3.908,14 5.099,15 5.277,16 4.412,17 4.411,18 6.099,19 4.382,20 5.422,21 5.591,22 4.627,23 4.709,24 6.462,25 4.651,26 5.684,27 5.893,28 4.75,29 4.844,30 6.674,31 4.772,32 5.785,33 5.991,34 4.856,35 4.852,36 6.93,37 4.806,38 5.754,39 5.931,40 4.847,41 4.846,42 7.009,43 4.809,44 5.802,45 5.991,46 4.758,47 4.842,48 7.05,49 4.771,50 5.812,51 6.057,52 4.504,53 4.725,54 6.886,55 4.609,56 0.097,57 1.089,58 18.454,59 7.969,60 19.94,61 10.46,62 0.671,63 1.856,64 37.446,65 13.481,66 65.527,67 18.487,68 0.774,69 2.506,70 51.329,71 19.72,72 103.217,73 26.497,74 0.893,75 2.986,76 68.496,77 24.368,78 125.781,79 33.793,80 1.837,81 3.074,82 78.554,83 24.497,84 213.697,85 34.037,86 1.934,87 3.008,88 76.011,89 23.782,90 265.035,91 32.037,92 2.122,93 3.081,94 80.122,95 24.878,96 298.371,97 34.132,98 1.974,99 2.914,100 82.838,101 23.699,102 263.013,103 34.393,104 130,105 68,106 0.231,107 0.544,108 0.824,109 0.89,110 0.89,111 0.89,112 3.694,113 0.959,114 -2.12,115 -2.16,116 -2.14,119 36.7,120 3,121 4,122 1,123 2,124 3,125 3,127 4,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 12,211 3,212 19,215 4,217 3,220 12,223 4,224 13,227 3,229 4,232 11,236 8,237 14,240 1,241 1,242 4,245 7,249 1,250 10,253 3,255 2,258 1,262 3,263 9,266 1,271 2,275 2805,276 25.252,277 25.252,278 25.252,279 25.252,280 25.252,281 24.21,282 35.057,283 14.059,284 25.85,285 21.075,286 21.075,287 21.075,288 21.075,289 21.075,290 19.169,291 47.825,292 6.493,293 21.931,294 4.807,295 2.779,296 0.969,297 0.538,298 0.538,299 0.538,300 4.384,305 1,306 899,307 4.743,310 153.906,311 205.727,314 113.317,315 227.974,318 1.609,319 72.974,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 87,331 419,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.785,347 1.674,348 14.589,349 3.543,350 4.18,351 3.65,352 6.697,353 3.886,354 2.925,355 3.409,356 1.148,357 10.496,358 2.825,359 4.015,360 3.56,361 6.59,362 3.791,363 2.794,364 3.184,365 0.86,366 10.015,367 2.785,368 3.854,369 3.462,370 6.094,371 3.718,372 2.753,373 2.943,374 0.8,375 8.785,376 2.639,377 3.677,378 3.122,379 5.901,380 3.411,381 2.456,382 2.785,383 0.8,384 7.917,385 2.327,386 3.562,387 2.887,388 5.75,389 3.181,390 2.217,391 2.727,392 0.525,393 7.29,394 2.123,395 3.275,396 2.658,397 5.36,398 3.065,399 2.147,400 2.315,402 6.004,403 1.967,404 3.13,405 2.522,406 5.093,407 2.963,408 1.992,409 2.137,411 5.755,412 1.91,413 2.923,414 2.373,415 4.984,416 2.767,417 1.786,418 1.916,420 4.939,421 1.732,422 2.657,423 2.093,424 4.624,425 2.578,426 1.617,427 1.649,428 4.605,429 1.544,430 2.566,431 1.843,432 4.282,433 2.284,434 1.338,435 1.479,436 3.489,437 1.253,438 2.443,439 1.743,440 4.184,441 2.198,442 1.228,443 1.369,445 3.398,446 1.183,447 2.124,448 1.665,449 4.01,450 1.931,451 1.026,452 1.055,454 2.396,455 0.919,456 2.003,457 1.305,458 3.815,459 1.681,460 0.714,461 0.81,463 1.687,464 0.683,465 17.967,466 0.461,467 1.506,468 0.039,469 34.75,470 0.891,471 9,472 0.231,473 25.75,474 0.66,475 58.909,476 1.51,477 46.233,478 0.585,479 36.121,480 0.926,481 6.39,482 0.164,483 11.948,484 0.306,485 0.26,486 0.056,487 0.406,493 0.795,494 1.484,495 0.848,496 1.312,497 0.69,498 1.123,499 0.867,500 0.92,501 0.809,502 0.855,503 0.547,504 0.807,505 0.858,506 1.17,507 0.995,508 1.192,509 0.737,510 1.131,511 0.874,512 1.149,513 0.895,514 1.149,515 0.884,516 1.047,517 1.099,518 0.992,519 0.915,520 0.98,521 1.042,522 0.916,523 1.343,524 1.08,525 1.109,526 1.077,527 1.473,528 1.049,529 1.255,530 1.157,531 1.209,532 1.188,533 1.42,534 1.195,535 1.235,536 0.996,537 1.115,538 0.982,539 1.287,540 1.021,541 11,542 0.266,543 7.111,544 5.326,545 5.316,546 3.392,547 2.392,548 1.475,549 0.9,550 0.458,551 18419,552 46391,553 1.992,554 50.6,555 9,556 19,557 1,559 2,560 3,561 4,562 2,564 1.806,565 1.773,566 3.298,567 0.162,573 118.24,574 1.497,575 3.525,576 5.335,577 5.765,578 5.765,579 5.765,580 2.828,581 4.875,582 5.252,583 3.485,584 2582.24,585 9.339,586 39140.5,591 497.999,592 1.78,593 5.155,594 0.256,595 0.008,596 0.105,597 0.066,598 0.06,599 0.035,600 0.025,601 0.018,602 0.015,603 0.01,604 0.597,605 0.33,606 0.63,607 1.09,608 208.545,609 -0.051,610 -0.157,611 0.052,612 -0.05,613 -0.058,614 0.011,615 0.003,616 0.272,617 0.143,618 0.251,619 0.074,620 0.24,621 -0.01,622 -0.001,623 -0.059,624 -0.051,625 0.016,626 -0.061,627 -0.01,628 -0.093,629 0.057,630 -0.076,631 -0.043,632 -0.007,633 0.059,634 0.012,635 0.1,636 0.023,637 0.035,638 0.066,639 -0.03,640 -0.046,641 -0.075,642 -0.052,643 -0.034,644 -0.07,645 0.004,646 -0.145,647 -0.183,648 -0.178,649 -0.013,650 -0.22,651 -0.085,652 -0.081,653 -0.093,654 -0.048,655 -0.08,656 -0.072,657 2.453,658 7.063,659 0.564,660 39.456,661 1.008,662 1.134,663 0.886,664 0.785,665 0.622,666 3.784,667 4.234,668 4.615,669 5.004,670 5.347,671 5.613,672 5.841,673 6.064,674 6.221,675 6.317,676 6.344,677 0.592,678 544.71,679 3.784,680 5.407,681 6.326,682 7.29,683 8.243,684 9.217,685 10.185,686 11.166,687 12.141,688 13.125,689 2.5,692 2,731 79,733 6,735 43,737 83,738 29,742 8,746 5,747 11,752 3,753 2,754 2,755 8,756 1,758 8,761 9,762 20,763 1,766 6,771 3,773 1,775 8,781 40,782 10,783 2,784 10,790 2,794 0.4,795 8,797 1,808 1,811 2,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 2,844 6,848 39,853 2,854 7,856 3,858 5,859 2,860 2,870 10.1,871 1,872 1,873 3,874 1,875 2,877 22,878 15.8,879 8.292,880 4.794,881 1.247,882 1.14,883 0.886,884 7.388,885 10.185,886 3.912,887 4.454,888 4.977,889 5.489,890 5.991,891 6.373,892 6.707,893 7.026,894 7.275,895 7.445,896 1,897 81,898 14.894,900 6.95,901 7.923,902 27.949,904 24.701,905 2.423,906 94.5,910 447.302,911 114.399,912 6.249,914 193.801,917 114.399,918 641.103,919 6.249,920 54.151,921 27.989,922 42.683,923 148.634,924 40.991,925 11.771,926 435.531,928 447.302,929 120.648,930 193.801,933 376.675,934 210.745,935 53.683,937 51.666,938 68.982,941 447.302,942 200.05,943 114.399,946 447.302,947 51.2,948 69.447,950 193.801,951 447.302,952 200.05,953 114.399,955 0.608,956 0.373,957 0.213,958 0.129,959 36,960 19,961 0.072,962 6,963 3,964 1.273,965 4.211,966 450.827,967 0.273,968 22,969 206.131,974 28.501,975 10.11,976 4.326,978 200.05,986 85.367,987 761.751,988 49,993 39.86,995 1.672,997 -1.052,999 79.61,1000 89.561,1001 0.237,1002 0.559,1003 0.846,1004 0.915,1005 0.915,1006 0.915,1007 5.288,1008 2.147,1009 6.415,1010 7.29,1011 4.92,1012 5.142,1013 3.138,1014 7.431,1015 4.857,1016 6.526,1017 1.992,1018 8.116,1019 6.004,1020 4.934,1021 5.231,1022 2.321,1023 8.936,1024 4.876,1025 7.9,1026 1.786,1027 9.934,1028 5.755,1029 6.758,1030 7.229,1031 4.242,1032 12.142,1033 6.667,1034 9.308,1035 1.617,1036 11.824,1037 4.939,1038 7.566,1039 8.099,1040 4.278,1041 14.486,1042 7.489,1043 10.755,1044 1.338,1045 13.764,1046 4.605,1047 8.987,1048 9.695,1049 5.713,1050 17.347,1051 8.891,1052 12.229,1053 1.228,1054 15.74,1055 3.489,1056 10.108,1057 10.889,1058 6.177,1059 19.977,1060 10.021,1061 13.724,1062 1.026,1063 17.742,1064 3.398,1065 11.43,1066 12.371,1067 7.348,1068 22.761,1069 11.334,1070 3.849,1071 0.714,1072 19.765,1073 2.396,1074 12.672,1075 13.709,1076 8.027,1077 25.485,1078 12.577,1079 3.575,1080 16.383,1081 21.803,1082 1.687,1083 13.979,1084 15.164,1085 9.063,1086 28.256,1087 13.877,1088 2.925,1089 14.589,1090 23.854,1091 4.407,1092 15.268,1093 16.568,1094 9.85,1095 31.013,1096 15.164,1097 2.794,1098 10.496,1099 25.914,1100 3.785,1101 16.58,1102 18.022,1103 10.818,1104 33.785,1105 16.47,1106 2.753,1107 10.015,1108 27.983,1109 3.409,1110 17.889,1111 19.46,1112 11.661,1113 36.555,1114 17.774,1115 2.456,1116 8.785,1117 30.057,1118 3.184,1119 19.208,1120 20.919,1121 12.594,1122 39.33,1123 19.087,1124 2.217,1125 7.917,1126 32.136,1127 2.943,1128 20.528,1129 22.374,1130 13.464,1131 42.107,1132 20.401,1133 17889,1134 28517,1135 26.876,1136 49.114,1137 68.475,1138 70.871,1139 73.394,1140 67.26,1141 67.237,1142 74.68,1143 16.524,1144 221.287,1145 64.803,1146 6.02,1147 6.181,1148 8.027,1149 5.936,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 27,1156 1.592,1157 1.648,1158 1.707,1159 1.564,1160 1.564,1161 1.737,1162 0.384,1163 5.146,1164 1.507,1165 4.131,1166 4.148,1167 4.084,1168 4.053,1169 7.437,1170 4.057,1171 3.91,1172 3.964,1173 3.827,1174 3.784,1175 7.431,1176 3.789,1177 3.839,1178 3.877,1179 3.738,1180 3.69,1181 7.427,1182 3.693,1183 3.585,1184 3.608,1185 3.504,1186 3.396,1187 6.46,1188 3.411,1189 3.515,1190 3.557,1191 3.448,1192 3.294,1193 6.448,1194 3.318,1195 3.5,1196 3.524,1197 3.391,1198 3.285,1199 4.715,1200 3.31,1201 3.317,1202 3.384,1203 3.164,1204 3.142,1205 4.559,1206 3.133,1207 3.277,1208 3.326,1209 3.126,1210 3.016,1211 4.472,1212 3.022,1213 0.117,1214 0.098,1215 0.192,1216 0.113,1217 0.09,1218 5.02,1219 0.102,1220 4.232,1221 0.057,1222 8.266,1223 0.381,1224 4.842,1225 0.089,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.12,1237 1.778,1238 1.749,1239 1.932,1240 1.935,1241 1.274,1242 1.934,1243 1.651,1244 1.594,1245 1.867,1246 1.843,1247 1.228,1248 1.852,1249 1.58,1250 1.527,1251 1.826,1252 1.788,1253 1.186,1254 1.799,1255 1.527,1256 1.439,1257 1.796,1258 1.766,1259 1.03,1260 1.785,1261 1.435,1262 1.403,1263 1.696,1264 1.704,1265 0.822,1266 1.692,1267 1.407,1268 1.367,1269 1.658,1270 1.657,1271 0.78,1272 1.656,1273 1.331,1274 1.294,1275 1.603,1276 1.532,1277 0.702,1278 1.554,1279 4.466,1281 5.883,1282 3.045,1283 7.504,1284 5.416,1285 9.239,1286 7.516,1287 11.046,1289 10.466,1294 22.572,1295 4.028,1297 17.315,1299 -2.594,1300 4.148,1301 -1.913,1305 46.77,1306 118.24,1307 278.494,1308 421.469,1309 455.469,1310 455.469,1311 455.469,1312 139.775,1313 8.937,1314 125.84,1315 125.84,1316 28,1317 13.595,1318 2.807,1319 2.807,1320 60.709,1321 143,1322 190,1323 0.208,1324 279.976,1325 524.94,1326 674.9,1327 92879,1329 28.438,1330 0.729,1331 0.606,1332 28.438,1333 23.652,1334 18.338,1335 0.426,1336 0.32,1337 13.499,1338 17.381,1339 12.987,1340 10.667,1341 18.338,1342 13.749,1343 18.151,1344 0.267,1345 0.181,1346 18.151,1347 12.298,1348 15.736,1349 0.157,1350 0.099,1351 15.736,1352 9.931,1353 13.786,1354 0.093,1355 0.053,1356 13.786,1357 7.826,1358 11.849,1359 0.057,1360 0.027,1361 11.849,1362 5.623,1363 0.31,1364 117.113,1365 0.193,1366 33.53,1367 0.634,1368 222,1369 658.003,1370 247.419,1371 606.349,1372 806.19,1373 564,1374 279,1375 568.892,1376 305.174,1377 572.563,1378 857.68,1379 533,1380 6.896}
{0 CHEMBL271430,1 1.494,2 14.023,3 0.444,4 0.197,5 164.858,6 6.745,8 4.604,9 4.72,10 4.08,11 4.062,12 5.597,13 4.042,14 5.253,15 5.438,16 4.528,17 4.553,18 6.204,19 4.515,20 5.596,21 5.786,22 4.742,23 4.86,24 6.566,25 4.79,26 5.834,27 6.054,28 4.833,29 4.991,30 6.76,31 4.898,32 5.935,33 6.161,34 4.93,35 4.987,36 6.996,37 4.915,38 5.897,39 6.103,40 4.912,41 4.945,42 7.067,43 4.893,44 5.875,45 6.075,46 4.795,47 4.918,48 7.077,49 4.834,50 5.88,51 6.137,52 4.544,53 4.802,54 6.894,55 4.67,56 0.072,57 1.281,58 21.83,59 9.071,60 18.201,61 12.275,62 0.679,63 2.198,64 44.192,65 15.305,66 63.254,67 21.723,68 0.838,69 2.985,70 62.198,71 22.775,72 103.27,73 31.714,74 0.877,75 3.479,76 79.785,77 28.609,78 118.801,79 40.221,80 1.778,81 3.554,82 91.148,83 28.819,84 209.979,85 41.09,86 2.028,87 3.436,88 88.667,89 26.138,90 262.133,91 37.079,92 2.125,93 3.349,94 86.609,95 26.471,96 286.142,97 37.158,98 1.811,99 3.127,100 87.722,101 25.661,102 239.124,103 37.832,104 109,105 76,106 0.224,107 0.507,108 0.781,109 0.857,110 0.857,111 0.857,112 3.811,113 0.984,114 -2.15,115 -2.19,116 -2.17,119 36.3,120 3,121 5,122 1,123 2,124 2,125 7,127 4,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 13,180 3,183 16,186 2,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 11,211 3,212 21,215 4,217 3,220 11,223 4,224 11,227 3,229 4,232 10,236 9,237 14,240 1,241 1,242 3,245 7,249 1,250 9,253 3,255 2,258 2,262 3,263 12,266 1,271 2,275 4090,276 28.975,277 28.975,278 28.975,279 28.975,280 28.975,281 27.933,282 42.692,283 16.308,284 29.7,285 24.051,286 24.051,287 24.051,288 24.051,289 24.051,290 22.15,291 60.842,292 7.577,293 25.111,294 5.014,295 3.122,296 1.297,297 0.789,298 0.789,299 0.789,300 4.513,306 1348,307 4.528,310 82.145,311 491.66,314 137.263,315 274.498,318 1.979,319 76.377,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 97.5,331 617,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.172,351 3.65,352 6.696,353 3.86,354 2.905,355 3.406,356 1.148,357 10.49,358 2.808,359 4.015,360 3.56,361 6.588,362 3.799,363 2.828,364 3.184,365 0.86,366 10.006,367 2.781,368 3.883,369 3.461,370 6.148,371 3.783,372 2.788,373 2.923,374 0.8,375 9.073,376 2.7,377 3.719,378 3.154,379 5.946,380 3.453,381 2.512,382 2.857,383 0.8,384 8.071,385 2.357,386 3.566,387 2.893,388 5.765,389 3.32,390 2.381,391 2.73,392 0.8,393 7.35,394 2.223,395 3.446,396 2.804,397 5.362,398 3.181,399 2.225,400 2.483,401 0.525,402 6.733,403 2.12,404 3.274,405 2.65,406 5.293,407 3.115,408 2.191,409 2.293,411 6.067,412 2.009,413 3.159,414 2.553,415 5.087,416 2.968,417 1.993,418 2.169,420 5.89,421 1.924,422 2.922,423 2.372,424 5.031,425 2.766,426 1.785,427 1.914,428 4.939,429 1.732,430 2.657,431 2.091,432 4.624,433 2.578,434 1.617,435 1.649,436 4.605,437 1.544,438 2.566,439 1.842,440 4.31,441 2.396,442 1.449,443 1.51,445 4.022,446 1.367,447 2.446,448 1.737,449 4.282,450 2.265,451 1.305,452 1.397,454 3.488,455 1.24,456 2.317,457 1.678,458 4.116,459 2.013,460 1.097,461 1.221,463 2.715,464 0.992,465 20.367,466 0.463,467 1.536,468 0.035,469 38.5,470 0.875,471 9,472 0.205,473 29.5,474 0.67,475 68.733,476 1.562,477 52.233,478 0.574,479 39.161,480 0.89,481 6.936,482 0.158,483 13.958,484 0.317,485 0.205,486 0.049,487 0.378,493 0.798,494 1.544,495 0.866,496 1.332,497 0.676,498 1.142,499 0.898,500 1.005,501 0.872,502 0.908,503 0.541,504 0.869,505 0.867,506 1.108,507 1.002,508 1.129,509 0.705,510 1.09,511 0.845,512 1.137,513 0.936,514 1.179,515 0.858,516 1.094,517 1.019,518 1.035,519 0.88,520 1.011,521 0.999,522 0.935,523 1.34,524 1.009,525 1.066,526 0.988,527 1.432,528 0.971,529 1.297,530 1.117,531 1.235,532 1.169,533 1.466,534 1.192,535 1.181,536 0.999,537 1.067,538 0.988,539 1.272,540 1.01,541 11.5,542 0.415,543 7.556,544 5.229,545 5.391,546 3.649,547 2.55,548 1.396,549 0.876,550 0.524,551 29350,552 67158,553 2.043,554 51.6,555 9,556 24,557 1,559 2,560 3,561 4,562 4,564 1.829,565 1.846,566 3.612,567 0.126,573 135.924,574 1.494,575 3.386,576 5.211,577 5.719,578 5.719,579 5.719,580 3.16,581 4.988,582 5.421,583 3.848,584 3640.53,585 9.646,586 61530,591 592.209,592 1.75,593 5.349,594 0.235,595 0.008,596 0.099,597 0.057,598 0.056,599 0.035,600 0.026,601 0.017,602 0.014,603 0.009,604 0.556,605 0.33,606 0.63,607 1.015,608 248.332,609 -0.042,610 -0.195,611 0.063,612 -0.061,613 -0.044,614 0.007,615 -0.01,616 0.205,617 0.099,618 0.193,619 0.071,620 0.18,621 -0.018,622 0.057,623 -0.046,624 -0.009,625 0.027,626 -0.026,627 0.002,628 -0.08,629 0.019,630 -0.099,631 -0.028,632 -0.045,633 0.096,634 -0.054,635 0.127,636 -0.002,637 0.062,638 0.059,639 -0.017,640 0.007,641 -0.02,643 0.003,644 -0.006,645 0.007,646 -0.093,647 -0.197,648 -0.162,649 0.004,650 -0.215,651 -0.048,652 -0.09,653 -0.053,654 -0.045,655 -0.06,656 -0.053,657 2.45,658 7.207,659 0.659,660 54.946,661 1.004,662 1.135,663 0.919,664 0.844,665 0.62,666 3.912,667 4.344,668 4.718,669 5.094,670 5.46,671 5.707,672 5.932,673 6.148,674 6.323,675 6.443,676 7.771,677 0.587,678 613.83,679 3.912,680 5.525,681 6.438,682 7.39,683 8.334,684 9.299,685 10.259,686 11.231,687 12.199,688 13.177,689 3.3,692 3,731 91,733 6,735 49,737 96,738 33,742 8,746 6,747 12,752 3,753 2,754 2,755 9,756 1,758 9,761 9,762 24,763 1,766 6,771 3,773 1,775 8,781 47,782 11,783 2,784 11,790 3,794 0.5,795 8,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 3,838 2,839 1,840 3,844 5,848 44,853 2,854 12,856 3,858 5,859 3,860 2,870 8.8,871 1,872 1,873 3,874 1,875 2,877 23.833,878 17.5,879 9.375,880 5.744,881 1.361,882 1.142,883 0.903,884 8.658,885 10.93,886 4.025,887 4.543,888 5.05,889 5.545,890 6.052,891 6.42,892 6.752,893 7.075,894 7.342,895 7.54,896 1,897 91,898 16.803,900 7.799,901 7.818,902 32.032,904 28.511,905 2.318,906 102,910 529.7,911 116.96,912 9.373,914 193.801,917 116.96,918 723.501,919 9.373,920 45.755,921 38.947,922 42.683,923 148.634,924 44.115,925 11.771,926 517.928,928 529.7,929 126.333,930 193.801,933 435.531,934 234.287,935 53.683,937 65.748,938 60.585,941 529.7,942 203.174,943 116.96,946 529.7,947 62.158,948 64.175,950 193.801,951 529.7,952 203.174,953 116.96,955 0.603,956 0.367,957 0.208,958 0.129,959 40,960 20,961 0.063,962 6,963 3,964 1.207,965 4.719,966 523.263,967 0.207,968 29,969 232.215,974 31.899,975 11.943,976 5.233,978 203.174,986 85.367,987 849.834,988 55,993 40.299,995 1.743,997 -0.914,999 91.363,1000 103.305,1001 0.23,1002 0.52,1003 0.801,1004 0.879,1005 0.879,1006 0.879,1007 5.394,1008 2.225,1009 6.509,1010 7.35,1011 5.03,1012 5.231,1013 3.179,1014 7.501,1015 4.96,1016 6.611,1017 2.191,1018 8.191,1019 6.733,1020 4.977,1021 5.263,1022 2.358,1023 8.966,1024 4.909,1025 7.971,1026 1.993,1027 9.993,1028 6.067,1029 6.838,1030 7.28,1031 4.248,1032 12.167,1033 6.734,1034 9.365,1035 1.785,1036 11.869,1037 5.89,1038 7.596,1039 8.117,1040 4.282,1041 14.497,1042 7.509,1043 10.801,1044 1.617,1045 13.798,1046 4.939,1047 9.034,1048 9.718,1049 5.714,1050 17.354,1051 8.925,1052 12.265,1053 1.449,1054 15.765,1055 4.605,1056 10.129,1057 10.898,1058 6.177,1059 19.981,1060 10.033,1061 13.752,1062 1.305,1063 17.761,1064 4.022,1065 11.455,1066 12.381,1067 7.348,1068 22.764,1069 11.349,1070 3.849,1071 1.097,1072 19.779,1073 3.488,1074 12.684,1075 13.713,1076 8.027,1077 25.487,1078 12.583,1079 3.575,1080 16.383,1081 21.813,1082 2.715,1083 13.991,1084 15.167,1085 9.063,1086 28.257,1087 13.884,1088 2.905,1089 14.589,1090 23.861,1091 4.407,1092 15.275,1093 16.57,1094 9.85,1095 31.013,1096 15.167,1097 2.828,1098 10.49,1099 25.92,1100 3.784,1101 16.585,1102 18.023,1103 10.818,1104 33.785,1105 16.472,1106 2.788,1107 10.006,1108 27.987,1109 3.406,1110 17.893,1111 19.46,1112 11.661,1113 36.555,1114 17.776,1115 2.512,1116 9.073,1117 30.06,1118 3.184,1119 19.211,1120 20.919,1121 12.594,1122 39.33,1123 19.088,1124 2.381,1125 8.071,1126 32.138,1127 2.923,1128 20.53,1129 22.374,1130 13.464,1131 42.107,1132 20.402,1133 27713,1134 42167,1135 31.441,1136 56.404,1137 77.135,1138 79.684,1139 82.139,1140 75.88,1141 75.845,1142 83.305,1143 18.124,1144 244.69,1145 72.911,1146 6.02,1147 6.18,1148 8.027,1149 5.935,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 28.317,1156 1.574,1157 1.626,1158 1.676,1159 1.549,1160 1.548,1161 1.7,1162 0.37,1163 4.994,1164 1.488,1165 4.134,1166 4.153,1167 4.086,1168 4.054,1169 7.437,1170 4.058,1171 3.932,1172 3.995,1173 3.835,1174 3.788,1175 7.431,1176 3.792,1177 3.868,1178 3.899,1179 3.781,1180 3.738,1181 7.427,1182 3.741,1183 3.713,1184 3.785,1185 3.592,1186 3.533,1187 6.46,1188 3.538,1189 3.576,1190 3.594,1191 3.491,1192 3.357,1193 6.448,1194 3.377,1195 3.513,1196 3.533,1197 3.441,1198 3.29,1199 4.715,1200 3.317,1201 3.437,1202 3.471,1203 3.343,1204 3.254,1205 4.559,1206 3.271,1207 3.31,1208 3.374,1209 3.158,1210 3.136,1211 4.467,1212 3.126,1213 0.102,1214 0.086,1215 0.169,1216 0.099,1217 0.079,1218 5.02,1219 0.09,1220 4.232,1221 0.05,1222 8.266,1223 0.334,1224 4.842,1225 0.078,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.118,1234 2.131,1235 1.521,1236 2.124,1237 1.877,1238 1.814,1239 2.072,1240 2.072,1241 1.443,1242 2.077,1243 1.772,1244 1.74,1245 1.939,1246 1.939,1247 1.273,1248 1.942,1249 1.671,1250 1.605,1251 1.887,1252 1.874,1253 1.22,1254 1.879,1255 1.582,1256 1.53,1257 1.827,1258 1.767,1259 1.185,1260 1.786,1261 1.437,1262 1.405,1263 1.696,1264 1.705,1265 0.825,1266 1.692,1267 1.41,1268 1.37,1269 1.658,1270 1.664,1271 0.825,1272 1.661,1273 1.331,1274 1.295,1275 1.592,1276 1.552,1277 0.82,1278 1.563,1279 4.595,1281 5.999,1282 2.398,1283 7.613,1284 4.844,1285 9.34,1286 7.034,1287 11.135,1289 8.766,1294 22.783,1295 8.975,1297 17.491,1299 -2.189,1300 6.957,1301 -1.912,1305 53.372,1306 135.924,1307 308.12,1308 474.196,1309 520.435,1310 520.435,1311 520.435,1312 145.142,1313 9.569,1314 129.08,1315 129.08,1316 35,1317 13.651,1318 2.807,1319 2.807,1320 65.815,1321 197,1322 294,1323 0.161,1324 317.746,1325 592.78,1326 767.06,1327 217004,1329 31.551,1330 0.717,1331 0.605,1332 31.551,1333 26.635,1334 20.894,1335 0.426,1336 0.328,1337 15.789,1338 19.835,1339 15.3,1340 12.492,1341 20.894,1342 16.067,1343 20.297,1344 0.267,1345 0.185,1346 20.297,1347 14.035,1348 17.776,1349 0.16,1350 0.104,1351 17.776,1352 11.521,1353 15.434,1354 0.095,1355 0.056,1356 15.434,1357 9.047,1358 13.701,1359 0.059,1360 0.029,1361 13.701,1362 6.873,1363 0.247,1364 132.975,1365 0.178,1366 37.737,1367 0.462,1368 250,1369 705.648,1370 277.834,1371 650.92,1372 871.29,1373 608,1374 312,1375 618.357,1376 340.867,1377 619.793,1378 930.3,1379 580,1380 7.041}
{0 CHEMBL271544,1 1.458,2 13.233,3 2.191,4 4.803,5 160.421,6 6.728,8 4.58,9 4.692,10 4.053,11 4.058,12 5.565,13 4.032,14 5.23,15 5.409,16 4.502,17 4.551,18 6.181,19 4.504,20 5.591,21 5.788,22 4.718,23 4.843,24 6.549,25 4.769,26 5.797,27 6.012,28 4.818,29 4.962,30 6.733,31 4.874,32 5.903,33 6.122,34 4.917,35 4.97,36 6.98,37 4.903,38 5.882,39 6.085,40 4.894,41 4.943,42 7.056,43 4.885,44 5.872,45 6.077,46 4.772,47 4.901,48 7.067,49 4.813,50 5.845,51 6.101,52 4.523,53 4.767,54 6.872,55 4.641,56 0.061,57 1.232,58 21.278,59 9.219,60 17.449,61 12.217,62 0.588,63 2.142,64 42.926,65 15.866,66 61.221,67 21.994,68 0.804,69 2.931,70 62.059,71 22.888,72 104.403,73 31.763,74 0.791,75 3.382,76 76.871,77 27.657,78 115.351,79 38.66,80 1.717,81 3.499,82 88.22,83 28.276,84 204.943,85 39.744,86 1.911,87 3.417,88 87.149,89 26.769,90 259.332,91 37.27,92 2.058,93 3.332,94 86.411,95 26.555,96 287.061,97 37.181,98 1.77,99 3.069,100 84.899,101 24.833,102 235.597,103 36.26,104 90,105 74,106 0.22,107 0.501,108 0.759,109 0.849,110 0.858,111 0.858,112 3.789,113 0.999,114 -2.87,115 -2.88,116 -2.79,119 37.1,120 3,121 8,122 1,123 2,124 1,125 5,127 4,136 4,137 1,138 1,156 1,158 2,172 15,174 2,175 11,180 3,183 19,186 2,187 14,190 1,192 7,195 17,198 2,199 17,204 4,207 11,211 3,212 21,215 4,217 3,220 11,223 4,224 13,227 3,229 4,232 10,236 8,237 15,240 1,241 1,242 3,245 7,249 1,250 9,253 3,255 2,258 4,262 3,263 11,266 1,271 5,275 3821,276 28.528,277 28.528,278 28.528,279 28.528,280 28.528,281 27.486,282 36.175,283 16.222,284 29.137,285 23.585,286 23.585,287 23.585,288 23.585,289 23.585,290 21.683,291 48.557,292 7.54,293 24.474,294 5.017,295 3.147,296 1.436,297 0.837,298 0.776,299 0.776,300 4.492,305 1,306 1246,307 4.472,310 78.899,311 473.007,314 131.723,315 263.446,318 1.923,319 75.197,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 95,331 569,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.172,351 3.65,352 6.696,353 3.856,354 2.896,355 3.406,356 1.148,357 10.49,358 2.808,359 4.015,360 3.56,361 6.588,362 3.794,363 2.819,364 3.184,365 0.86,366 10.006,367 2.781,368 3.867,369 3.461,370 6.143,371 3.776,372 2.788,373 2.92,374 0.8,375 9.054,376 2.688,377 3.716,378 3.139,379 5.945,380 3.446,381 2.501,382 2.843,383 0.8,384 8.071,385 2.353,386 3.566,387 2.892,388 5.765,389 3.265,390 2.319,391 2.729,392 0.525,393 7.349,394 2.183,395 3.408,396 2.769,397 5.361,398 3.173,399 2.209,400 2.453,402 6.713,403 2.113,404 3.188,405 2.577,406 5.287,407 2.976,408 2.001,409 2.207,411 5.903,412 1.932,413 2.938,414 2.373,415 5.086,416 2.789,417 1.813,418 1.932,420 4.939,421 1.756,422 2.811,423 2.093,424 4.624,425 2.738,426 1.769,427 1.805,428 4.606,429 1.701,430 2.655,431 1.95,432 4.449,433 2.578,434 1.617,435 1.648,436 4.5,437 1.544,438 2.48,439 1.841,440 4.282,441 2.271,442 1.316,443 1.421,445 3.488,446 1.244,447 2.431,448 1.716,449 4.119,450 2.166,451 1.189,452 1.307,454 2.833,455 1.158,456 2.139,457 1.598,458 3.823,459 2,460 1.077,461 1.12,463 2.599,464 1,465 19.967,466 0.464,467 1.43,468 0.033,469 37.25,470 0.866,471 9,472 0.209,473 28.25,474 0.657,475 67.784,476 1.576,477 50.833,478 0.571,479 36.582,480 0.851,481 6.314,482 0.147,483 14.186,484 0.33,485 0.184,486 0.05,487 0.366,493 0.783,494 1.443,495 0.869,496 1.291,497 0.669,498 1.124,499 0.835,500 1.064,501 0.873,502 0.984,503 0.53,504 0.931,505 0.836,506 1.083,507 0.958,508 1.087,509 0.683,510 1.046,511 0.876,512 1.16,513 0.934,514 1.161,515 0.871,516 1.076,517 1.061,518 1.028,519 0.91,520 1.003,521 1.017,522 0.938,523 1.318,524 1.048,525 1.074,526 1.024,527 1.418,528 1.003,529 1.281,530 1.123,531 1.203,532 1.137,533 1.433,534 1.155,535 1.232,536 0.965,537 1.077,538 0.943,539 1.294,540 0.977,541 10.5,542 0.399,543 7.111,544 5.167,545 5.199,546 3.538,547 2.469,548 1.38,549 0.831,550 0.513,551 27291,552 60711,553 2.058,554 51.7,555 15,556 17,557 1,559 2,560 3,561 8,564 1.824,565 1.87,566 3.548,567 0.114,573 129.791,574 1.458,575 3.329,576 5.04,577 5.638,578 5.7,579 5.7,580 3.047,581 5.054,582 5.389,583 3.781,584 3414.69,585 9.587,586 56447.9,591 576.34,592 1.737,593 5.321,594 0.219,595 0.008,596 0.096,597 0.058,598 0.055,599 0.035,600 0.025,601 0.017,602 0.013,603 0.009,604 0.535,605 0.33,606 0.63,607 1.01,608 240.249,609 -0.04,610 -0.12,611 0.059,612 -0.026,613 -0.038,614 0.025,615 0.02,616 0.131,617 0.089,618 0.134,619 0.076,620 0.131,621 0.004,622 0.053,623 -0.001,624 0.008,625 0.039,626 0.007,627 -0.007,628 -0.1,629 0.027,630 -0.094,631 -0.03,632 -0.037,633 0.088,634 -0.03,635 0.105,636 -0.001,637 0.055,638 0.048,640 -0.031,641 -0.029,642 -0.031,643 0.006,644 -0.034,645 0.021,646 -0.114,647 -0.163,648 -0.148,649 0.013,650 -0.189,651 -0.058,652 -0.045,653 -0.052,654 -0.016,655 -0.064,656 -0.033,657 2.442,658 7.188,659 0.674,660 51.612,661 1.003,662 1.133,663 1.642,664 2.697,665 0.622,666 3.892,667 4.317,668 4.7,669 5.081,670 5.442,671 5.687,672 5.922,673 6.14,674 6.308,675 6.43,676 7.478,677 0.588,678 598.81,679 3.892,680 5.501,681 6.415,682 7.367,683 8.314,684 9.279,685 10.241,686 11.214,687 12.184,688 13.163,689 2.2,692 2,731 89,733 6,735 48,737 94,738 33,742 8,746 6,747 12,752 3,753 2,754 2,755 12,756 1,758 12,761 9,762 24,763 1,766 6,771 3,773 1,775 8,781 46,782 10,783 2,784 10,790 2,794 0.5,795 8,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 3,844 4,848 43,853 2,854 13,856 3,858 5,859 2,860 2,870 9,871 1,872 1,873 3,874 1,875 2,877 23,878 16.8,879 9.208,880 5.844,881 1.351,882 1.142,883 0.904,884 8.444,885 10.838,886 4.007,887 4.522,888 5.037,889 5.537,890 6.043,891 6.41,892 6.748,893 7.072,894 7.337,895 7.533,896 0.889,897 89,898 16.444,900 7.669,901 7.814,902 31.434,904 28.189,905 2.314,906 99.5,910 517.928,911 111.956,912 6.249,914 193.801,917 111.956,918 711.73,919 6.249,920 37.359,921 42.339,922 42.683,923 148.634,924 40.991,925 11.771,926 506.157,928 517.928,929 118.205,930 193.801,933 423.76,934 234.287,935 53.683,937 66.016,938 52.189,941 517.928,942 200.05,943 111.956,946 517.928,947 65.55,948 52.655,950 193.801,951 517.928,952 200.05,953 111.956,955 0.599,956 0.368,957 0.212,958 0.13,959 39,960 19,961 0.064,962 6,963 3,964 1.207,965 4.656,966 509.556,967 0.207,968 29,969 225.329,974 30.977,975 11.721,976 5.037,978 200.05,986 85.367,987 829.934,988 54,993 40.24,995 1.749,997 -0.872,999 89.261,1000 100.806,1001 0.225,1002 0.514,1003 0.778,1004 0.871,1005 0.88,1006 0.88,1007 5.371,1008 2.209,1009 6.482,1010 7.349,1011 5.004,1012 5.209,1013 3.138,1014 7.477,1015 4.943,1016 6.585,1017 2.001,1018 8.165,1019 6.713,1020 4.934,1021 5.231,1022 2.321,1023 8.952,1024 4.876,1025 7.946,1026 1.813,1027 9.969,1028 5.903,1029 6.812,1030 7.263,1031 4.242,1032 12.158,1033 6.72,1034 9.342,1035 1.769,1036 11.851,1037 4.939,1038 7.571,1039 8.102,1040 4.278,1041 14.494,1042 7.492,1043 10.78,1044 1.617,1045 13.784,1046 4.606,1047 9.016,1048 9.709,1049 5.713,1050 17.352,1051 8.917,1052 12.248,1053 1.316,1054 15.755,1055 4.5,1056 10.114,1057 10.892,1058 6.177,1059 19.98,1060 10.024,1061 13.739,1062 1.189,1063 17.754,1064 3.488,1065 11.444,1066 12.377,1067 7.348,1068 22.763,1069 11.344,1070 3.849,1071 1.077,1072 19.774,1073 2.833,1074 12.677,1075 13.71,1076 8.027,1077 25.487,1078 12.579,1079 3.575,1080 16.383,1081 21.81,1082 2.599,1083 13.985,1084 15.165,1085 9.063,1086 28.257,1087 13.882,1088 2.896,1089 14.589,1090 23.859,1091 4.407,1092 15.271,1093 16.568,1094 9.85,1095 31.013,1096 15.165,1097 2.819,1098 10.49,1099 25.918,1100 3.784,1101 16.582,1102 18.022,1103 10.818,1104 33.785,1105 16.471,1106 2.788,1107 10.006,1108 27.986,1109 3.406,1110 17.891,1111 19.459,1112 11.661,1113 36.555,1114 17.775,1115 2.501,1116 9.054,1117 30.059,1118 3.184,1119 19.209,1120 20.919,1121 12.594,1122 39.33,1123 19.088,1124 2.319,1125 8.071,1126 32.138,1127 2.92,1128 20.529,1129 22.374,1130 13.464,1131 42.107,1132 20.401,1133 25689,1134 38593,1135 31.035,1136 55.398,1137 75.483,1138 77.966,1139 79.794,1140 74.297,1141 74.263,1142 81.724,1143 16.524,1144 238.5,1145 71.773,1146 6.02,1147 6.232,1148 8.068,1149 5.935,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 26.071,1156 1.573,1157 1.624,1158 1.662,1159 1.548,1160 1.547,1161 1.703,1162 0.344,1163 4.969,1164 1.495,1165 4.134,1166 4.153,1167 4.086,1168 4.054,1169 7.437,1170 4.058,1171 3.934,1172 3.994,1173 3.834,1174 3.797,1175 7.431,1176 3.798,1177 3.869,1178 3.898,1179 3.778,1180 3.761,1181 7.427,1182 3.757,1183 3.714,1184 3.779,1185 3.584,1186 3.552,1187 6.46,1188 3.553,1189 3.576,1190 3.594,1191 3.489,1192 3.359,1193 6.448,1194 3.379,1195 3.514,1196 3.533,1197 3.44,1198 3.29,1199 4.715,1200 3.317,1201 3.434,1202 3.462,1203 3.338,1204 3.256,1205 4.558,1206 3.272,1207 3.31,1208 3.371,1209 3.158,1210 3.136,1211 4.461,1212 3.126,1213 0.105,1214 0.088,1215 0.172,1216 0.101,1217 0.08,1218 5.02,1219 0.092,1220 4.232,1221 0.051,1222 8.266,1223 0.341,1224 4.842,1225 0.08,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.121,1234 2.131,1235 1.521,1236 2.125,1237 1.9,1238 1.842,1239 2.106,1240 2.071,1241 1.5,1242 2.084,1243 1.779,1244 1.747,1245 1.951,1246 1.936,1247 1.282,1248 1.946,1249 1.682,1250 1.62,1251 1.893,1252 1.871,1253 1.239,1254 1.88,1255 1.582,1256 1.531,1257 1.827,1258 1.767,1259 1.186,1260 1.786,1261 1.437,1262 1.405,1263 1.696,1264 1.705,1265 0.828,1266 1.692,1267 1.41,1268 1.371,1269 1.657,1270 1.663,1271 0.825,1272 1.659,1273 1.329,1274 1.296,1275 1.558,1276 1.535,1277 0.825,1278 1.54,1279 4.575,1281 5.974,1282 2.398,1283 7.588,1284 4.844,1285 9.317,1286 7.034,1287 11.115,1289 6.617,1294 22.756,1295 10.917,1297 17.478,1299 -2.11,1300 4.624,1301 -1.899,1305 52.351,1306 129.791,1307 296.256,1308 448.566,1309 501.811,1310 507.321,1311 507.321,1312 141.402,1313 9.487,1314 125.84,1315 125.84,1316 35,1317 13.636,1318 2.807,1319 2.807,1320 63.467,1321 185,1322 263,1323 0.165,1324 310.952,1325 581.78,1326 750.482,1327 195321,1329 30.681,1330 0.714,1331 0.602,1332 30.681,1333 25.895,1334 20.5,1335 0.427,1336 0.333,1337 15.746,1338 19.555,1339 15.313,1340 12.505,1341 20.5,1342 15.987,1343 19.675,1344 0.266,1345 0.186,1346 19.675,1347 13.792,1348 17.365,1349 0.159,1350 0.105,1351 17.365,1352 11.408,1353 15.282,1354 0.096,1355 0.057,1356 15.282,1357 9.133,1358 13.477,1359 0.059,1360 0.03,1361 13.477,1362 6.943,1363 0.252,1364 129.915,1365 0.18,1366 36.945,1367 0.479,1368 244,1369 680.003,1370 270.085,1371 627.295,1372 841.49,1373 586,1374 305,1375 599.596,1376 331.702,1377 599.346,1378 902.37,1379 563,1380 7.367}
{0 CHEMBL271780,1 1.494,2 14.047,3 0.534,4 0.285,5 162.292,6 6.687,8 4.584,9 4.702,10 4.046,11 4.027,12 5.593,13 4.006,14 5.221,15 5.413,16 4.477,17 4.501,18 6.184,19 4.464,20 5.539,21 5.723,22 4.69,23 4.805,24 6.534,25 4.735,26 5.796,27 6.02,28 4.799,29 4.937,30 6.733,31 4.848,32 5.878,33 6.095,34 4.909,35 4.936,36 6.972,37 4.875,38 5.863,39 6.064,40 4.906,41 4.923,42 7.055,43 4.878,44 5.873,45 6.067,46 4.798,47 4.929,48 7.08,49 4.844,50 5.917,51 6.182,52 4.532,53 4.816,54 6.915,55 4.673,56 0.072,57 1.25,58 21.677,59 8.842,60 18.535,61 12.07,62 0.704,63 2.093,64 43.251,65 14.649,66 63.864,67 20.912,68 0.783,69 2.802,70 58.952,71 21.812,72 101.044,73 30.227,74 0.885,75 3.285,76 77.231,77 27.074,78 120.315,79 38.336,80 1.74,81 3.344,82 86.308,83 26.765,84 205.959,85 38.236,86 2.01,87 3.316,88 85.989,89 25.134,90 260.539,91 35.692,92 2.082,93 3.343,94 86.312,95 26.663,96 285.29,97 37.494,98 1.854,99 3.172,100 90.899,101 26.124,102 245.621,103 39.198,104 142,105 72,106 0.225,107 0.505,108 0.777,109 0.852,110 0.859,111 0.859,112 3.788,113 0.985,114 -1.96,115 -2.02,116 -2.01,119 35.6,120 3,121 4,122 1,123 2,124 3,125 7,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 11,211 3,212 20,215 4,217 3,220 11,223 4,224 11,227 3,229 4,232 10,236 9,237 14,240 1,241 1,242 3,245 6,249 1,250 9,253 3,255 2,258 1,262 3,263 10,266 1,271 1,275 3986,276 28.028,277 28.028,278 28.028,279 28.028,280 28.028,281 26.986,282 39.529,283 15.963,284 28.758,285 23.08,286 23.08,287 23.08,288 23.08,289 23.08,290 21.178,291 52.307,292 7.435,293 24.137,294 4.998,295 3.139,296 1.328,297 0.828,298 0.784,299 0.784,300 4.481,306 1290,307 5.05,310 80.716,311 359.847,314 134.93,315 270.899,318 2.052,319 75.036,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 95.5,331 604,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.171,351 3.65,352 6.696,353 3.84,354 2.862,355 3.406,356 1.148,357 10.49,358 2.806,359 4.015,360 3.56,361 6.588,362 3.789,363 2.79,364 3.184,365 0.86,366 10.006,367 2.779,368 3.744,369 3.461,370 5.948,371 3.556,372 2.627,373 2.907,374 0.8,375 8.09,376 2.433,377 3.605,378 2.989,379 5.766,380 3.405,381 2.454,382 2.731,383 0.8,384 7.411,385 2.317,386 3.559,387 2.885,388 5.467,389 3.188,390 2.247,391 2.631,392 0.8,393 7.189,394 2.125,395 3.305,396 2.676,397 5.36,398 3.157,399 2.211,400 2.34,401 0.525,402 6.319,403 2.062,404 3.208,405 2.577,406 5.128,407 3.034,408 2.114,409 2.216,411 5.871,412 1.948,413 3.106,414 2.496,415 5.072,416 2.948,417 1.98,418 2.112,420 5.15,421 1.887,422 2.909,423 2.372,424 4.648,425 2.762,426 1.783,427 1.902,428 4.939,429 1.726,430 2.656,431 2.089,432 4.624,433 2.578,434 1.617,435 1.648,436 4.604,437 1.544,438 2.481,439 1.841,440 4.282,441 2.27,442 1.314,443 1.421,445 3.488,446 1.243,447 2.43,448 1.719,449 4.121,450 2.101,451 1.141,452 1.292,454 2.776,455 1.089,456 2.117,457 1.605,458 3.824,459 1.992,460 1.061,461 1.077,463 2.287,464 0.976,465 19.867,466 0.462,467 1.523,468 0.035,469 37.5,470 0.872,471 9,472 0.209,473 28.5,474 0.663,475 66.027,476 1.536,477 51.533,478 0.573,479 39.198,480 0.912,481 7.001,482 0.163,483 13.321,484 0.31,485 0.235,486 0.05,487 0.362,493 0.806,494 1.59,495 0.882,496 1.371,497 0.688,498 1.173,499 0.923,500 0.939,501 0.869,502 0.865,503 0.553,504 0.835,505 0.873,506 1.147,507 1.009,508 1.18,509 0.74,510 1.126,511 0.857,512 1.104,513 0.893,514 1.137,515 0.879,516 1.042,517 1.076,518 1.055,519 0.895,520 1.023,521 1.054,522 0.94,523 1.376,524 1.004,525 1.077,526 0.985,527 1.471,528 0.969,529 1.278,530 1.175,531 1.261,532 1.233,533 1.456,534 1.249,535 1.126,536 1.015,537 1.052,538 1.001,539 1.207,540 1.018,541 11.5,542 0.345,543 6.889,544 5.104,545 5.288,546 3.545,547 2.532,548 1.455,549 0.864,550 0.479,551 26254,552 62150,553 1.993,554 52.2,555 9,556 26,557 1,559 2,560 3,561 4,562 2,564 1.823,565 1.792,566 3.592,567 0.137,573 134.446,574 1.494,575 3.353,576 5.164,577 5.664,578 5.708,579 5.708,580 3.191,581 5.101,582 5.382,583 3.854,584 3480.32,585 9.574,586 58189.2,591 584.267,592 1.769,593 5.306,594 0.245,595 0.008,596 0.096,597 0.059,598 0.057,599 0.035,600 0.025,601 0.017,602 0.014,603 0.009,604 0.566,605 0.33,606 0.63,607 1.418,608 241.44,609 -0.043,610 -0.222,611 0.057,612 -0.082,613 -0.051,614 -0.008,615 -0.016,616 0.271,617 0.112,618 0.234,619 0.071,620 0.215,621 -0.012,622 0.032,623 -0.05,624 -0.031,625 0.02,626 -0.043,627 0.008,628 -0.051,629 0.066,630 -0.058,631 -0.028,632 0.006,633 0.087,634 -0.053,635 0.121,636 -0.004,637 0.052,638 0.057,639 -0.027,640 0.032,641 -0.023,642 0.016,643 -0.006,644 0.003,645 0.006,646 -0.129,647 -0.225,648 -0.2,649 -0.003,650 -0.255,651 -0.037,652 -0.114,653 -0.047,654 -0.064,655 -0.049,656 -0.062,657 2.452,658 7.158,659 0.535,660 55.928,661 1.004,662 1.137,663 0.733,664 0.538,665 0.616,666 3.871,667 4.29,668 4.644,669 5.024,670 5.389,671 5.652,672 5.883,673 6.105,674 6.271,675 6.377,676 7.791,677 0.582,678 601.82,679 3.871,680 5.476,681 6.378,682 7.328,683 8.27,684 9.236,685 10.197,686 11.173,687 12.144,688 13.126,689 3.3,692 3,731 90,733 6,735 47,737 94,738 32,742 8,746 5,747 11,752 3,753 2,754 2,755 6,756 1,758 7,761 9,762 23,763 1,766 6,771 3,773 1,775 8,781 47,782 11,783 2,784 11,790 3,794 0.4,795 8,797 1,811 1,812 4,815 1,816 2,824 1,829 2,831 1,832 4,836 3,838 2,839 1,840 2,844 6,848 43,853 2,854 11,856 3,858 4,859 3,860 2,870 8.9,871 1,872 1,873 3,874 1,875 2,877 24,878 17.667,879 9.264,880 5.544,881 1.315,882 1.142,883 0.89,884 9.307,885 10.564,886 3.989,887 4.5,888 4.997,889 5.501,890 6.014,891 6.394,892 6.729,893 7.053,894 7.309,895 7.494,896 1,897 86,898 16.399,900 7.492,901 7.853,902 31.056,904 26.984,905 2.353,906 101.167,910 529.7,911 122.822,912 9.373,914 193.801,917 122.822,918 723.501,919 9.373,920 54.151,921 36.412,922 42.683,923 148.634,924 44.115,925 11.771,926 517.928,928 529.7,929 132.195,930 193.801,933 459.073,934 210.745,935 53.683,937 63.213,938 68.982,941 529.7,942 203.174,943 122.822,946 529.7,947 59.623,948 72.572,950 193.801,951 529.7,952 203.174,953 122.822,955 0.598,956 0.354,957 0.2,958 0.124,959 36,960 19,961 0.096,962 9,963 3,964 1.261,965 4.614,966 495.32,967 0.261,968 23,969 227.329,974 32.332,975 12.378,976 5.641,978 203.174,986 85.367,987 855.696,988 53,993 40.145,995 1.72,997 -0.97,999 90.363,1000 102.305,1001 0.23,1002 0.517,1003 0.795,1004 0.872,1005 0.879,1006 0.879,1007 5.347,1008 2.211,1009 6.45,1010 7.189,1011 4.977,1012 5.187,1013 3.179,1014 7.441,1015 4.906,1016 6.567,1017 2.114,1018 8.132,1019 6.319,1020 4.934,1021 5.231,1022 2.358,1023 8.926,1024 4.868,1025 7.927,1026 1.98,1027 9.936,1028 5.871,1029 6.781,1030 7.244,1031 4.248,1032 12.13,1033 6.68,1034 9.322,1035 1.783,1036 11.818,1037 5.15,1038 7.55,1039 8.09,1040 4.282,1041 14.476,1042 7.469,1043 10.76,1044 1.617,1045 13.752,1046 4.939,1047 8.984,1048 9.693,1049 5.714,1050 17.339,1051 8.883,1052 12.227,1053 1.314,1054 15.726,1055 4.604,1056 10.089,1057 10.88,1058 6.177,1059 19.972,1060 10.003,1061 13.718,1062 1.141,1063 17.727,1064 3.488,1065 11.417,1066 12.366,1067 7.348,1068 22.758,1069 11.321,1070 3.849,1071 1.061,1072 19.751,1073 2.776,1074 12.655,1075 13.702,1076 8.027,1077 25.484,1078 12.563,1079 3.575,1080 16.383,1081 21.791,1082 2.287,1083 13.966,1084 15.159,1085 9.063,1086 28.255,1087 13.868,1088 2.862,1089 14.589,1090 23.843,1091 4.407,1092 15.255,1093 16.564,1094 9.85,1095 31.012,1096 15.155,1097 2.79,1098 10.49,1099 25.906,1100 3.784,1101 16.569,1102 18.019,1103 10.818,1104 33.784,1105 16.463,1106 2.627,1107 10.006,1108 27.975,1109 3.406,1110 17.881,1111 19.457,1112 11.661,1113 36.554,1114 17.769,1115 2.454,1116 8.09,1117 30.051,1118 3.184,1119 19.201,1120 20.917,1121 12.594,1122 39.33,1123 19.083,1124 2.247,1125 7.411,1126 32.132,1127 2.907,1128 20.523,1129 22.373,1130 13.464,1131 42.107,1132 20.398,1133 25617,1134 39661,1135 29.649,1136 55.404,1137 73.462,1138 75.949,1139 78.551,1140 72.243,1141 72.211,1142 79.67,1143 18.124,1144 230.728,1145 69.332,1146 6.02,1147 6.18,1148 8.027,1149 5.935,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 29.602,1156 1.563,1157 1.616,1158 1.671,1159 1.537,1160 1.536,1161 1.695,1162 0.386,1163 4.909,1164 1.475,1165 4.132,1166 4.15,1167 4.085,1168 4.053,1169 7.437,1170 4.057,1171 3.904,1172 3.956,1173 3.824,1174 3.781,1175 7.431,1176 3.786,1177 3.828,1178 3.873,1179 3.719,1180 3.654,1181 7.427,1182 3.661,1183 3.668,1184 3.75,1185 3.531,1186 3.472,1187 6.46,1188 3.475,1189 3.577,1190 3.596,1191 3.486,1192 3.357,1193 6.448,1194 3.377,1195 3.513,1196 3.535,1197 3.442,1198 3.289,1199 4.715,1200 3.317,1201 3.454,1202 3.498,1203 3.352,1204 3.262,1205 4.558,1206 3.278,1207 3.317,1208 3.39,1209 3.16,1210 3.139,1211 4.458,1212 3.129,1213 0.107,1214 0.09,1215 0.176,1216 0.103,1217 0.082,1218 5.02,1219 0.094,1220 4.232,1221 0.052,1222 8.266,1223 0.349,1224 4.842,1225 0.081,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.13,1235 1.521,1236 2.123,1237 1.822,1238 1.77,1239 2.018,1240 2.028,1241 1.344,1242 2.031,1243 1.743,1244 1.696,1245 1.919,1246 1.911,1247 1.263,1248 1.914,1249 1.632,1250 1.56,1251 1.879,1252 1.864,1253 1.188,1254 1.873,1255 1.582,1256 1.527,1257 1.827,1258 1.768,1259 1.163,1260 1.787,1261 1.439,1262 1.406,1263 1.696,1264 1.705,1265 0.83,1266 1.692,1267 1.417,1268 1.373,1269 1.678,1270 1.671,1271 0.825,1272 1.669,1273 1.355,1274 1.307,1275 1.65,1276 1.6,1277 0.808,1278 1.621,1279 4.554,1281 5.948,1282 2.398,1283 7.55,1284 4.844,1285 9.271,1286 7.034,1287 11.068,1289 10.712,1294 22.71,1295 7.478,1297 17.427,1299 -2.749,1300 6.607,1301 -1.915,1305 52.372,1306 134.446,1307 301.787,1308 464.718,1309 509.737,1310 513.737,1311 513.737,1312 157.047,1313 9.249,1314 129.08,1315 129.08,1316 29,1317 13.598,1318 2.807,1319 2.807,1320 71.145,1321 190,1322 298,1323 0.181,1324 315.547,1325 587.84,1326 761.694,1327 143378,1329 31.267,1330 0.727,1331 0.613,1332 31.267,1333 26.35,1334 20.321,1335 0.432,1336 0.328,1337 15.155,1338 19.25,1339 14.611,1340 12.015,1341 20.321,1342 15.439,1343 19.707,1344 0.274,1345 0.187,1346 19.707,1347 13.463,1348 16.517,1349 0.16,1350 0.101,1351 16.517,1352 10.454,1353 14.352,1354 0.095,1355 0.054,1356 14.352,1357 8.181,1358 12.594,1359 0.058,1360 0.028,1361 12.594,1362 6.054,1363 0.278,1364 129.662,1365 0.184,1366 37.102,1367 0.519,1368 238,1369 693.648,1370 265.167,1371 639.664,1372 849.37,1373 596,1374 294,1375 595.653,1376 322.2,1377 599.618,1378 895.44,1379 558,1380 7.42}
{0 CHEMBL271982,1 1.515,2 14.911,3 0.16,4 0.025,5 166.501,6 6.846,8 4.621,9 4.733,10 4.108,11 4.061,12 5.622,13 4.049,14 5.268,15 5.449,16 4.538,17 4.539,18 6.237,19 4.51,20 5.592,21 5.78,22 4.736,23 4.838,24 6.574,25 4.773,26 5.806,27 6.02,28 4.826,29 4.962,30 6.744,31 4.874,32 5.921,33 6.148,34 4.935,35 4.954,36 6.996,37 4.897,38 5.865,39 6.053,40 4.936,41 4.952,42 7.064,43 4.909,44 5.916,45 6.113,46 4.833,47 4.969,48 7.097,49 4.88,50 5.956,51 6.223,52 4.575,53 4.835,54 6.942,55 4.699,56 0.107,57 1.286,58 21.888,59 9.078,60 18.305,61 12.166,62 0.82,63 2.178,64 44.918,65 15.087,66 68.232,67 21.229,68 1.07,69 2.918,70 61.992,71 22.398,72 108.14,73 30.861,74 0.916,75 3.372,76 77.225,77 27.676,78 118.049,79 38.963,80 2.04,81 3.466,82 90.581,83 27.078,84 215.219,85 39.05,86 2.179,87 3.378,88 85.311,89 25.898,90 260.123,91 35.829,92 2.159,93 3.487,94 89.292,95 28.255,96 289.346,97 39.584,98 2.174,99 3.279,100 95.795,101 26.554,102 255.791,103 40.042,104 90,105 76,106 0.227,107 0.5,108 0.751,109 0.837,110 0.854,111 0.86,112 3.832,113 0.975,114 -1.43,115 -1.51,116 -1.56,119 35.9,120 3,121 3,122 1,123 2,124 1,125 11,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 9,180 3,183 15,186 4,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 11,211 3,212 19,215 4,217 3,220 11,223 6,224 11,227 3,229 4,232 10,236 8,237 14,240 1,241 1,242 3,245 5,249 1,250 10,253 3,255 2,262 4,263 8,266 1,275 4539,276 29.89,277 29.89,278 29.89,279 29.89,280 29.89,281 28.848,282 41.424,283 17.129,284 30.782,285 24.58,286 24.58,287 24.58,288 24.58,289 24.58,290 22.678,291 53.847,292 8.007,293 25.875,294 5.009,295 3.179,296 1.5,297 0.924,298 0.815,299 0.772,300 4.536,306 1466,307 4.69,310 85.811,311 524.684,314 143.609,315 287.68,318 2.143,319 79.682,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 100.5,331 671,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.171,351 3.65,352 6.696,353 3.84,354 2.862,355 3.406,356 1.148,357 10.49,358 2.806,359 4.015,360 3.56,361 6.588,362 3.789,363 2.79,364 3.184,365 0.86,366 10.006,367 2.779,368 3.746,369 3.461,370 5.948,371 3.575,372 2.649,373 2.907,374 0.86,375 8.091,376 2.447,377 3.629,378 3.008,379 5.766,380 3.44,381 2.512,382 2.731,383 0.8,384 7.432,385 2.335,386 3.563,387 2.893,388 5.489,389 3.368,390 2.428,391 2.652,392 0.8,393 7.251,394 2.257,395 3.487,396 2.864,397 5.361,398 3.181,399 2.216,400 2.502,401 0.8,402 6.906,403 2.122,404 3.268,405 2.656,406 5.328,407 3.049,408 2.127,409 2.302,410 0.525,411 6.259,412 1.959,413 3.114,414 2.507,415 5.111,416 2.949,417 1.98,418 2.121,420 5.864,421 1.894,422 2.909,423 2.372,424 5.063,425 2.762,426 1.783,427 1.901,428 4.939,429 1.726,430 2.656,431 2.147,432 4.624,433 2.578,434 1.617,435 1.648,436 4.604,437 1.544,438 2.516,439 2.088,440 4.282,441 2.361,442 1.495,443 1.501,445 3.488,446 1.288,447 2.461,448 1.841,449 4.121,450 2.268,451 1.312,452 1.416,454 3.153,455 1.242,456 2.419,457 1.718,458 3.824,459 2.034,460 1.11,461 1.273,463 2.754,464 1.012,465 20.7,466 0.46,467 1.447,468 0.032,469 39.5,470 0.878,471 9,472 0.2,473 30.5,474 0.678,475 68.633,476 1.525,477 53.7,478 0.584,479 40.714,480 0.905,481 7.416,482 0.165,483 14.067,484 0.313,485 0.177,486 0.048,487 0.348,493 0.814,494 1.579,495 0.85,496 1.364,497 0.68,498 1.149,499 0.989,500 1.006,501 0.905,502 0.905,503 0.582,504 0.87,505 0.887,506 1.036,507 1.008,508 1.09,509 0.731,510 1.071,511 0.8,512 1.227,513 0.918,514 1.234,515 0.873,516 1.126,517 1.043,518 0.965,519 0.871,520 0.93,521 1.027,522 0.87,523 1.31,524 1.016,525 1.111,526 1.033,527 1.489,528 1.028,529 1.142,530 1.223,531 1.205,532 1.261,533 1.387,534 1.258,535 1.118,536 0.956,537 1.037,538 0.939,539 1.19,540 0.97,541 11,542 0.366,543 6.889,544 4.917,545 5.439,546 3.524,547 2.39,548 1.476,549 0.831,550 0.469,551 32613,552 79515,553 2.055,554 51.1,555 9,556 28,557 1,559 2,560 3,561 4,564 1.832,565 1.875,566 3.684,567 0.137,573 139.353,574 1.515,575 3.344,576 5.023,577 5.599,578 5.708,579 5.752,580 3.22,581 5.014,582 5.45,583 3.948,584 3908.68,585 9.696,586 68470,591 600.168,592 1.718,593 5.391,594 0.22,595 0.008,596 0.091,597 0.055,598 0.057,599 0.034,600 0.023,601 0.017,602 0.013,603 0.009,604 0.526,605 0.33,606 0.63,607 0.986,608 257.44,609 -0.047,610 -0.223,611 0.065,612 -0.087,613 -0.043,614 -0.003,615 -0.053,616 0.198,617 0.067,618 0.188,619 0.051,620 0.168,621 -0.022,622 0.127,623 -0.056,624 0.025,625 0.019,626 -0.013,627 0.005,628 -0.162,629 0.023,630 -0.137,631 -0.029,632 -0.066,633 0.058,634 0.023,635 0.139,636 0.058,637 0.051,638 0.111,639 -0.033,640 0.038,641 -0.077,642 -0.012,643 -0.017,644 -0.046,645 0.012,646 -0.195,647 -0.198,648 -0.222,649 0.009,650 -0.256,651 -0.054,652 -0.063,653 -0.027,654 -0.02,655 -0.049,656 -0.02,657 2.46,658 7.203,659 0.644,660 62.024,661 1.008,662 1.136,663 0.202,664 0.041,665 0.618,666 3.932,667 4.344,668 4.71,669 5.081,670 5.442,671 5.68,672 5.911,673 6.136,674 6.301,675 6.41,676 8.296,677 0.588,678 629.83,679 3.932,680 5.533,681 6.438,682 7.382,683 8.321,684 9.282,685 10.238,686 11.209,687 12.176,688 13.154,689 3.3,692 3,731 92,733 6,735 50,737 97,738 33,742 8,746 6,747 12,752 3,753 2,754 2,755 6,756 1,758 6,761 9,762 24,763 1,766 6,771 3,773 1,775 8,781 47,782 12,783 2,784 12,790 3,794 0.5,795 9,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 3,838 2,839 2,840 3,844 4,848 45,853 2,854 14,856 4,858 4,859 3,860 2,870 9.8,871 1,872 1,873 3,874 2,875 2,877 24,878 17.333,879 9.681,880 5.761,881 1.361,882 1.142,883 0.902,884 9.359,885 10.93,886 4.043,887 4.543,888 5.043,889 5.537,890 6.043,891 6.407,892 6.741,893 7.065,894 7.321,895 7.507,896 0.9,897 90,898 17.17,900 7.916,901 7.837,902 32.626,904 28.678,905 2.337,906 105.167,910 529.7,911 116.891,912 9.373,914 204.801,917 116.891,918 734.501,919 9.373,920 37.359,921 47.274,922 42.683,923 159.634,924 44.115,925 11.771,926 517.928,928 529.7,929 126.264,930 204.801,933 482.615,934 187.202,935 64.683,937 74.075,938 52.189,941 529.7,942 214.174,943 116.891,946 529.7,947 70.485,948 55.779,950 204.801,951 529.7,952 214.174,953 116.891,955 0.596,956 0.361,957 0.205,958 0.126,959 39,960 19,961 0.082,962 8,963 3,964 1.207,965 4.881,966 529.424,967 0.207,968 29,969 239.133,974 32.822,975 12.832,976 5.728,978 214.174,986 85.367,987 860.764,988 56,993 40.284,995 1.723,997 -0.993,999 92.69,1000 104.514,1001 0.232,1002 0.513,1003 0.77,1004 0.858,1005 0.875,1006 0.882,1007 5.398,1008 2.216,1009 6.497,1010 7.251,1011 5.03,1012 5.231,1013 3.239,1014 7.477,1015 4.95,1016 6.604,1017 2.127,1018 8.169,1019 6.906,1020 4.934,1021 5.231,1022 2.358,1023 8.938,1024 4.868,1025 7.958,1026 1.98,1027 9.965,1028 6.259,1029 6.821,1030 7.269,1031 4.264,1032 12.143,1033 6.707,1034 9.347,1035 1.783,1036 11.84,1037 5.864,1038 7.561,1039 8.096,1040 4.282,1041 14.481,1042 7.477,1043 10.781,1044 1.617,1045 13.769,1046 4.939,1047 9.01,1048 9.706,1049 5.716,1050 17.342,1051 8.898,1052 12.244,1053 1.495,1054 15.738,1055 4.604,1056 10.1,1057 10.885,1058 6.177,1059 19.974,1060 10.009,1061 13.732,1062 1.312,1063 17.737,1064 3.488,1065 11.432,1066 12.372,1067 7.348,1068 22.759,1069 11.328,1070 3.849,1071 1.11,1072 19.758,1073 3.153,1074 12.663,1075 13.705,1076 8.027,1077 25.484,1078 12.567,1079 3.575,1080 16.383,1081 21.796,1082 2.754,1083 13.973,1084 15.162,1085 9.063,1086 28.255,1087 13.871,1088 2.862,1089 14.589,1090 23.847,1091 4.407,1092 15.26,1093 16.565,1094 9.85,1095 31.012,1096 15.157,1097 2.79,1098 10.49,1099 25.908,1100 3.784,1101 16.573,1102 18.02,1103 10.818,1104 33.784,1105 16.464,1106 2.649,1107 10.006,1108 27.977,1109 3.406,1110 17.883,1111 19.458,1112 11.661,1113 36.554,1114 17.77,1115 2.512,1116 8.091,1117 30.052,1118 3.184,1119 19.203,1120 20.917,1121 12.594,1122 39.33,1123 19.084,1124 2.428,1125 7.432,1126 32.133,1127 2.907,1128 20.524,1129 22.373,1130 13.464,1131 42.107,1132 20.398,1133 30696,1134 48102,1135 32.422,1136 56.858,1137 77.962,1138 80.572,1139 82.164,1140 76.79,1141 76.782,1142 84.242,1143 19.844,1144 243.027,1145 73.296,1146 6.02,1147 6.18,1148 8.068,1149 5.945,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 27.052,1156 1.559,1157 1.611,1158 1.643,1159 1.536,1160 1.536,1161 1.685,1162 0.397,1163 4.861,1164 1.466,1165 4.133,1166 4.151,1167 4.086,1168 4.054,1169 7.437,1170 4.058,1171 3.907,1172 3.962,1173 3.825,1174 3.781,1175 7.431,1176 3.786,1177 3.846,1178 3.887,1179 3.743,1180 3.662,1181 7.427,1182 3.673,1183 3.749,1184 3.811,1185 3.63,1186 3.54,1187 6.46,1188 3.553,1189 3.579,1190 3.597,1191 3.496,1192 3.37,1193 6.448,1194 3.389,1195 3.514,1196 3.536,1197 3.443,1198 3.29,1199 4.718,1200 3.317,1201 3.466,1202 3.503,1203 3.365,1204 3.272,1205 4.627,1206 3.291,1207 3.322,1208 3.387,1209 3.167,1210 3.143,1211 4.555,1212 3.135,1213 0.1,1214 0.085,1215 0.165,1216 0.097,1217 0.077,1218 5.02,1219 0.088,1220 4.232,1221 0.049,1222 8.266,1223 0.328,1224 4.842,1225 0.076,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.13,1235 1.521,1236 2.123,1237 1.823,1238 1.77,1239 2.015,1240 2.039,1241 1.339,1242 2.037,1243 1.752,1244 1.706,1245 1.935,1246 1.954,1247 1.264,1248 1.951,1249 1.688,1250 1.627,1251 1.897,1252 1.89,1253 1.22,1254 1.891,1255 1.584,1256 1.533,1257 1.828,1258 1.768,1259 1.186,1260 1.787,1261 1.443,1262 1.409,1263 1.696,1264 1.705,1265 0.933,1266 1.692,1267 1.421,1268 1.379,1269 1.667,1270 1.673,1271 0.825,1272 1.67,1273 1.36,1274 1.318,1275 1.637,1276 1.6,1277 0.825,1278 1.612,1279 4.615,1281 6.004,1282 2.398,1283 7.605,1284 4.844,1285 9.322,1286 7.034,1287 11.112,1289 6.586,1294 22.775,1295 9.706,1297 22.925,1299 -2.769,1300 6.857,1301 -1.928,1305 54.087,1306 139.353,1307 307.688,1308 462.129,1309 515.148,1310 525.148,1311 529.148,1312 148.206,1313 9.569,1314 138.31,1315 138.31,1316 35,1317 13.628,1318 2.807,1319 2.807,1320 68.279,1321 213,1322 318,1323 0.153,1324 321.742,1325 601.57,1326 776.811,1327 225382,1329 32.095,1330 0.713,1331 0.597,1332 32.095,1333 26.88,1334 21.483,1335 0.43,1336 0.325,1337 15.94,1338 20.282,1339 15.514,1340 12.606,1341 21.483,1342 16.255,1343 20.464,1344 0.269,1345 0.181,1346 20.464,1347 13.76,1348 17.831,1349 0.162,1350 0.102,1351 17.831,1352 11.211,1353 15.484,1354 0.097,1355 0.054,1356 15.484,1357 8.679,1358 13.674,1359 0.059,1360 0.028,1361 13.674,1362 6.511,1363 0.237,1364 137.464,1365 0.176,1366 38.777,1367 0.431,1368 252,1369 751.383,1370 282.712,1371 685.353,1372 912.53,1373 642,1374 312,1375 637.993,1376 343.663,1377 636.014,1378 955.31,1379 596,1380 7.108}
{0 CHEMBL272190,1 1.462,2 9.222,3 1.379,4 1.902,5 133.135,6 6.899,8 4.378,9 4.481,10 3.854,11 3.844,12 5.465,13 3.826,14 4.989,15 5.155,16 4.333,17 4.319,18 6.041,19 4.291,20 5.326,21 5.482,22 4.554,23 4.619,24 6.417,25 4.57,26 5.605,27 5.812,28 4.681,29 4.755,30 6.627,31 4.69,32 5.679,33 5.871,34 4.79,35 4.766,36 6.85,37 4.728,38 5.685,39 5.858,40 4.791,41 4.777,42 6.944,43 4.742,44 5.762,45 5.955,46 4.655,47 4.761,48 7.027,49 4.689,50 5.715,51 5.958,52 4.301,53 4.618,54 6.809,55 4.478,56 0.118,57 0.965,58 16.968,59 7.646,60 24.891,61 9.692,62 0.57,63 1.632,64 33.262,65 12.902,66 69.948,67 17.152,68 0.745,69 2.269,70 46.551,71 17.777,72 104.88,73 23.638,74 0.9,75 2.714,76 63.574,77 22.57,78 140.037,79 30.928,80 1.722,81 2.778,82 70.454,83 22.56,84 212.165,85 30.671,86 1.789,87 2.816,88 70.686,89 22.361,90 240.459,91 30.027,92 2.241,93 2.876,94 78.055,95 23.261,96 323.521,97 31.735,98 1.847,99 2.643,100 75.155,101 21.85,102 259.204,103 31.462,104 164,105 63,106 0.23,107 0.544,108 0.762,109 0.835,110 0.839,111 0.844,112 3.617,113 0.953,114 -2.45,115 -2.48,116 -2.43,119 37,120 6,121 3,122 1,123 2,124 1,125 1,127 3,130 1,136 4,138 2,154 1,158 2,172 11,174 2,175 11,180 4,183 18,186 1,187 9,191 1,192 10,195 15,198 2,199 12,204 8,207 14,211 2,212 14,215 5,217 7,220 14,223 1,224 16,227 5,228 1,229 4,232 13,236 4,237 12,240 3,241 1,242 7,245 11,249 1,250 7,253 2,255 5,258 3,262 2,263 12,266 1,271 6,275 2204,276 22.683,277 22.683,278 22.683,279 22.683,280 22.683,281 21.497,282 31.365,283 12.491,284 23.188,285 19.108,286 19.108,287 19.108,288 19.108,289 19.108,290 17.077,291 43.788,292 5.743,293 19.863,294 4.728,295 2.734,296 1.348,297 0.881,298 0.853,299 0.826,300 4.294,305 1,306 692,307 5.05,310 60.809,311 186.024,314 101.274,315 206.283,318 1.469,319 70.598,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 80.5,331 332,332 5.026,333 4.211,334 8.266,335 4.839,336 3.849,337 4.436,338 2.455,339 16.382,340 3.809,341 4.619,342 3.766,343 7.865,344 4.566,345 3.575,346 3.796,347 1.674,348 14.589,349 3.543,350 4.213,351 3.634,352 6.694,353 4.075,354 3.106,355 3.406,356 1.148,357 10.473,358 3.009,359 4.083,360 3.557,361 6.587,362 3.795,363 2.813,364 3.294,365 0.86,366 10.039,367 2.763,368 4.061,369 3.264,370 6.392,371 3.746,372 2.784,373 3.18,374 0.6,375 9.885,376 2.67,377 3.653,378 3.06,379 5.924,380 3.407,381 2.451,382 2.781,383 0.525,384 7.95,385 2.32,386 3.506,387 2.887,388 5.754,389 3.179,390 2.213,391 2.643,393 7.288,394 2.12,395 3.25,396 2.591,397 5.36,398 2.977,399 2.012,400 2.294,402 5.944,403 1.928,404 2.984,405 2.295,406 5.091,407 2.762,408 1.791,409 1.982,411 4.939,412 1.713,413 2.673,414 2.043,415 4.624,416 2.576,417 1.617,418 1.652,420 4.606,421 1.54,422 2.61,423 1.862,424 4.282,425 2.277,426 1.339,427 1.534,428 3.488,429 1.244,430 2.371,431 1.733,432 4.143,433 2.142,434 1.188,435 1.3,436 3.044,437 1.123,438 2.171,439 1.516,440 3.866,441 1.765,442 0.875,443 1.019,445 1.881,446 0.769,447 1.817,448 1.12,449 3.806,450 1.446,451 0.52,452 0.584,454 1.245,455 0.474,456 1.643,457 1.054,458 3.254,459 1.341,460 0.417,461 0.515,463 1.049,464 0.381,465 16.567,466 0.46,467 1.595,468 0.044,469 31.75,470 0.882,471 9,472 0.25,473 22.75,474 0.632,475 55.786,476 1.55,477 42.833,478 0.587,479 31.562,480 0.877,481 5.652,482 0.157,483 11.011,484 0.306,485 0.312,486 0.091,487 0.362,493 0.846,494 1.328,495 0.872,496 1.262,497 0.814,498 1.101,499 0.783,500 0.988,501 0.719,502 0.91,503 0.554,504 0.814,505 0.919,506 1.201,507 1.04,508 1.201,509 0.812,510 1.147,511 0.898,512 1.114,513 0.875,514 1.109,515 0.889,516 1.007,517 1.099,518 1.046,519 0.923,520 1.015,521 1.008,522 0.943,523 1.249,524 1.142,525 1.095,526 1.128,527 1.255,528 1.082,529 1.376,530 1.081,531 1.266,532 1.099,533 1.5,534 1.151,535 1.216,536 1.046,537 1.218,538 1.052,539 1.267,540 1.125,541 11.5,542 0.265,543 6.667,544 5.104,545 5.066,546 3.476,547 2.435,548 1.332,549 0.799,550 0.375,551 13560,552 36474,553 1.925,554 50.7,555 9,556 8,558 1,559 3,560 3,561 13,564 1.789,565 1.694,566 3.11,567 0.801,573 106.725,574 1.462,575 3.456,576 4.842,577 5.309,578 5.336,579 5.364,580 2.679,581 4.871,582 5.137,583 3.323,584 2093.35,585 9.119,586 30073.4,591 451.857,592 1.855,593 5.015,594 0.295,595 0.013,596 0.106,597 0.068,598 0.061,599 0.039,600 0.028,601 0.018,602 0.017,603 0.011,604 0.656,605 0.33,606 0.88,607 1.413,608 186.766,609 -0.072,610 -0.028,611 0.028,612 0.01,613 -0.104,614 0.037,615 0.06,616 0.178,617 0.218,618 0.231,619 0.098,620 0.258,621 -0.042,622 -0.009,623 -0.1,624 -0.062,625 -0.034,626 -0.085,627 -0.014,628 -0.064,629 0.081,630 -0.048,631 -0.039,632 0.025,633 0.065,634 -0.027,635 0.089,636 0.002,637 0.031,638 0.043,640 -0.09,641 -0.07,642 -0.104,643 -0.004,644 -0.103,645 -0.069,646 -0.087,647 -0.225,648 -0.123,649 -0.056,650 -0.2,651 -0.111,652 -0.119,653 -0.204,654 -0.119,655 -0.105,656 -0.176,657 2.441,658 6.165,659 0.472,660 33.469,661 1.009,662 1.132,663 1.223,664 1.496,665 0.621,666 3.689,667 4.159,668 4.5,669 4.898,670 5.273,671 5.557,672 5.784,673 5.981,674 6.116,675 6.174,676 5.824,677 0.592,678 503.65,679 3.689,680 5.323,681 6.232,682 7.207,683 8.157,684 9.142,685 10.11,686 11.098,687 12.075,688 13.066,689 1.4,698 1,731 73,733 6,735 39,737 76,738 27,742 8,746 4,747 10,752 6,753 2,754 2,755 6,756 1,758 6,761 9,762 18,763 2,766 6,771 2,773 1,774 1,775 8,781 37,782 9,783 3,784 9,790 1,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,823 1,829 2,831 2,832 4,838 3,839 1,840 1,844 7,848 36,853 3,854 4,856 3,858 4,860 3,870 11,871 1,872 2,873 2,874 1,875 2,877 21.25,878 15.05,879 7.556,880 4.353,881 1.455,882 1.169,883 0.85,884 6.831,885 10.048,886 3.829,887 4.407,888 4.92,889 5.464,890 6.028,891 6.455,892 6.83,893 7.182,894 7.462,895 7.625,896 1,897 75,898 13.709,900 6.368,901 7.998,902 25.429,904 22.199,905 2.498,906 89.917,910 400.217,911 112.203,912 16.786,914 211.34,917 112.203,918 611.557,919 16.786,920 63.834,921 12.196,922 42.683,923 181.858,924 51.528,926 388.446,928 400.217,929 128.988,930 211.34,933 247.193,934 310.681,935 53.683,937 81.933,938 38.008,939 9.047,941 400.217,942 228.125,943 112.203,946 400.217,947 39.321,948 72.882,950 228.125,951 400.217,952 228.125,953 112.203,955 0.613,956 0.355,957 0.202,958 0.129,959 33,960 18,961 0.079,962 6,963 3,964 1.353,965 3.898,966 400.037,967 0.353,968 17,969 181.362,974 27.059,975 9.089,976 4.198,978 228.125,986 128.05,987 740.545,988 45,993 25.402,995 1.376,996 4.464,997 -0.802,999 73.625,1000 82.647,1001 0.236,1002 0.558,1003 0.782,1004 0.858,1005 0.862,1006 0.867,1007 5.215,1008 2.012,1009 6.354,1010 7.288,1011 4.844,1012 5.094,1013 3.085,1014 7.391,1015 4.78,1016 6.489,1017 1.791,1018 8.072,1019 5.944,1020 4.977,1021 5.263,1022 2.243,1023 8.98,1024 4.918,1025 7.885,1026 1.617,1027 9.908,1028 4.939,1029 6.737,1030 7.246,1031 4.232,1032 12.146,1033 6.643,1034 9.312,1035 1.339,1036 11.813,1037 4.606,1038 7.606,1039 8.141,1040 4.269,1041 14.509,1042 7.52,1043 10.772,1044 1.188,1045 13.763,1046 3.488,1047 9.006,1048 9.749,1049 5.711,1050 17.357,1051 8.9,1052 12.256,1053 0.875,1054 15.745,1055 3.044,1056 10.149,1057 10.944,1058 6.176,1059 19.988,1060 10.044,1061 13.758,1062 0.52,1063 17.751,1064 1.881,1065 11.463,1066 12.441,1067 7.348,1068 22.768,1069 11.348,1070 3.849,1071 0.417,1072 19.776,1073 1.245,1074 12.709,1075 13.775,1076 8.027,1077 25.49,1078 12.59,1079 3.575,1080 16.382,1081 21.814,1082 1.049,1083 14.011,1084 15.241,1085 9.063,1086 28.259,1087 13.884,1088 3.106,1089 14.589,1090 23.865,1091 4.436,1092 15.299,1093 16.645,1094 9.85,1095 31.015,1096 15.166,1097 2.813,1098 10.473,1099 25.924,1100 3.796,1101 16.607,1102 18.106,1103 10.818,1104 33.786,1105 16.466,1106 2.784,1107 10.039,1108 27.991,1109 3.406,1110 17.913,1111 19.546,1112 11.661,1113 36.555,1114 17.765,1115 2.451,1116 9.885,1117 30.064,1118 3.294,1119 19.229,1120 21.012,1121 12.594,1122 39.33,1123 19.072,1124 2.213,1125 7.95,1126 32.143,1127 3.18,1128 20.546,1129 22.471,1130 13.464,1131 42.106,1132 20.382,1133 13679,1134 22519,1135 23.581,1136 45.347,1137 62.741,1138 64.725,1139 66.925,1140 61.043,1141 61.159,1142 68.889,1143 14.524,1144 205.75,1145 58.861,1146 6.016,1147 6.157,1148 8.027,1149 5.931,1150 5.849,1151 7.287,1152 4.234,1153 25.384,1154 5.809,1155 26.834,1156 1.609,1157 1.66,1158 1.716,1159 1.565,1160 1.568,1161 1.766,1162 0.372,1163 5.276,1164 1.509,1165 4.128,1166 4.145,1167 4.082,1168 4.055,1169 7.435,1170 4.058,1171 3.885,1172 3.912,1173 3.813,1174 3.778,1175 7.431,1176 3.781,1177 3.731,1178 3.79,1179 3.611,1180 3.591,1181 6.534,1182 3.586,1183 3.576,1184 3.593,1185 3.491,1186 3.356,1187 6.448,1188 3.377,1189 3.513,1190 3.535,1191 3.43,1192 3.303,1193 6.392,1194 3.325,1195 3.404,1196 3.431,1197 3.311,1198 3.233,1199 4.761,1200 3.247,1201 3.313,1202 3.366,1203 3.161,1204 3.133,1205 4.645,1206 3.124,1207 3.232,1208 3.304,1209 3.033,1210 3.005,1211 4.547,1212 3.004,1213 0.129,1214 0.108,1215 0.212,1216 0.124,1217 0.099,1218 5.026,1219 0.114,1220 4.211,1221 0.063,1222 8.266,1223 0.42,1224 4.839,1225 0.098,1226 3.849,1227 4.436,1228 2.455,1229 16.382,1230 3.809,1231 2.035,1232 2.024,1233 2.119,1234 2.127,1235 1.526,1236 2.122,1237 1.784,1238 1.751,1239 1.974,1240 1.94,1241 1.269,1242 1.95,1243 1.702,1244 1.648,1245 1.905,1246 1.874,1247 1.188,1248 1.886,1249 1.584,1250 1.533,1251 1.828,1252 1.767,1253 1.136,1254 1.787,1255 1.437,1256 1.406,1257 1.696,1258 1.705,1259 0.822,1260 1.692,1261 1.409,1262 1.371,1263 1.658,1264 1.661,1265 0.767,1266 1.659,1267 1.295,1268 1.261,1269 1.538,1270 1.498,1271 0.675,1272 1.512,1273 1.211,1274 1.159,1275 1.496,1276 1.484,1277 0.606,1278 1.468,1279 4.369,1281 5.802,1282 2.398,1283 7.434,1284 4.844,1285 9.179,1286 7.034,1287 10.995,1289 12.132,1294 33.832,1295 1.436,1297 17.101,1299 -2.644,1301 -2.381,1305 43.222,1306 106.725,1307 252.273,1308 353.479,1309 387.553,1310 389.553,1311 391.553,1312 143.317,1313 8.592,1314 134.88,1315 134.88,1316 23,1317 13.533,1318 2.807,1319 2.807,1320 61.205,1321 122,1322 136,1323 0.252,1324 261.39,1325 491.7,1326 629.551,1327 58488,1329 26.792,1330 0.744,1331 0.612,1332 26.792,1333 22.045,1334 16.663,1335 0.427,1336 0.318,1337 12.191,1338 15.848,1339 11.617,1340 9.611,1341 16.663,1342 12.391,1343 17.359,1344 0.276,1345 0.186,1346 17.359,1347 11.748,1348 13.779,1349 0.155,1350 0.093,1351 13.779,1352 8.257,1353 12.081,1354 0.091,1355 0.049,1356 12.081,1357 6.547,1358 10.682,1359 0.055,1360 0.025,1361 10.682,1362 4.916,1363 0.37,1364 106.129,1365 0.206,1366 31.147,1367 0.784,1368 204,1369 610.772,1370 227.643,1371 565.489,1372 750.9,1373 524,1374 254,1375 533.525,1376 276.816,1377 537.437,1378 801.52,1379 500,1380 5}
{0 CHEMBL272197,1 1.462,2 9.194,3 1.074,4 1.152,5 132.853,6 6.899,8 4.376,9 4.481,10 3.857,11 3.84,12 5.441,13 3.823,14 4.998,15 5.169,16 4.309,17 4.308,18 6.03,19 4.277,20 5.321,21 5.489,22 4.563,23 4.608,24 6.393,25 4.564,26 5.569,27 5.754,28 4.702,29 4.77,30 6.611,31 4.711,32 5.728,33 5.926,34 4.817,35 4.801,36 6.896,37 4.759,38 5.716,39 5.893,40 4.799,41 4.788,42 6.989,43 4.754,44 5.738,45 5.92,46 4.649,47 4.769,48 7.011,49 4.692,50 5.748,51 6.005,52 4.301,53 4.62,54 6.812,55 4.475,56 0.098,57 0.972,58 16.876,59 7.555,60 20.75,61 9.687,62 0.604,63 1.636,64 33.75,65 12.703,66 66.627,67 17.028,68 0.762,69 2.227,70 46.632,71 17.753,72 106.213,73 23.629,74 0.798,75 2.705,76 60.457,77 22.356,78 122.101,79 30.107,80 1.762,81 2.898,82 74.034,83 23.638,84 216.068,85 32.332,86 1.959,87 2.856,88 73.517,89 22.666,90 272.711,91 30.436,92 2.073,93 2.873,94 75.313,95 23.349,96 306.361,97 31.651,98 1.902,99 2.687,100 78.178,101 22.349,102 265.405,103 32.605,104 148,105 61,106 0.23,107 0.542,108 0.793,109 0.856,110 0.856,111 0.856,112 3.617,113 0.976,114 -2.45,115 -2.48,116 -2.43,119 37,120 5,121 3,122 1,123 2,124 1,125 3,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 1,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 14,211 3,212 18,215 4,217 3,220 13,223 4,224 14,227 3,229 4,232 12,236 6,237 13,240 1,241 1,242 5,245 9,249 1,250 9,253 2,255 2,258 2,262 2,263 10,266 1,271 4,275 2186,276 23.476,277 23.476,278 23.476,279 23.476,280 23.476,281 22.434,282 30.585,283 13.092,284 24.044,285 18.969,286 18.969,287 18.969,288 18.969,289 18.969,290 17.067,291 37.307,292 5.848,293 19.704,294 4.728,295 2.746,296 1.151,297 0.747,298 0.747,299 0.747,300 4.297,305 1,306 690,307 4.848,310 60.681,311 185.426,314 101.017,315 205.61,318 1.438,319 70.741,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 80.5,331 331,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.169,351 3.65,352 6.696,353 3.834,354 2.852,355 3.406,356 1.148,357 10.489,358 2.804,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.005,367 2.778,368 3.726,369 3.461,370 5.946,371 3.448,372 2.506,373 2.901,374 0.8,375 8.061,376 2.352,377 3.566,378 2.896,379 5.765,380 3.241,381 2.303,382 2.73,383 0.525,384 7.337,385 2.151,386 3.407,387 2.805,388 5.361,389 3.169,390 2.207,391 2.459,393 6.474,394 2.097,395 3.177,396 2.58,397 5.233,398 2.969,399 1.993,400 2.194,402 5.871,403 1.926,404 2.92,405 2.373,406 5.083,407 2.765,408 1.784,409 1.912,411 4.939,412 1.73,413 2.656,414 2.09,415 4.624,416 2.578,417 1.617,418 1.648,420 4.604,421 1.544,422 2.488,423 1.842,424 4.282,425 2.269,426 1.313,427 1.422,428 3.488,429 1.243,430 2.432,431 1.72,432 4.12,433 2.039,434 1.112,435 1.286,436 2.72,437 1.017,438 2.112,439 1.607,440 3.823,441 1.681,442 0.731,443 0.897,445 1.631,446 0.679,447 1.835,448 1.235,449 3.753,450 1.591,451 0.618,452 0.646,454 1.199,455 0.6,456 1.618,457 0.821,458 3.253,459 1.508,460 0.52,461 0.618,463 0.791,464 0.507,465 16.567,466 0.46,467 1.31,468 0.036,469 32,470 0.889,471 9,472 0.25,473 23,474 0.639,475 53.999,476 1.5,477 42.833,478 0.587,479 32.38,480 0.899,481 5.812,482 0.161,483 11.136,484 0.309,485 0.282,486 0.06,487 0.386,493 0.789,494 1.408,495 0.854,496 1.301,497 0.702,498 1.122,499 0.819,500 0.962,501 0.777,502 0.908,503 0.555,504 0.835,505 0.886,506 1.082,507 0.916,508 1.073,509 0.751,510 1.006,511 0.919,512 1.219,513 0.945,514 1.217,515 0.932,516 1.109,517 1.072,518 1.049,519 0.911,520 1.02,521 1.032,522 0.944,523 1.329,524 1.059,525 1.103,526 1.044,527 1.417,528 1.024,529 1.318,530 1.196,531 1.309,532 1.222,533 1.431,534 1.26,535 1.162,536 0.985,537 1.14,538 0.987,539 1.195,540 1.05,541 10,542 0.197,543 6.444,544 5.104,545 5.066,546 3.392,547 2.392,548 1.278,549 0.667,550 0.376,551 13436,552 36164,553 1.947,554 50.7,555 9,556 12,557 1,559 2,560 3,561 10,564 1.789,565 1.728,566 3.116,567 0.176,573 106.725,574 1.462,575 3.443,576 5.039,577 5.443,578 5.443,579 5.443,580 2.654,581 4.892,582 5.138,583 3.3,584 2078.82,585 9.123,586 29840.5,591 451.857,592 1.798,593 5.031,594 0.256,595 0.009,596 0.106,597 0.066,598 0.06,599 0.037,600 0.027,601 0.018,602 0.014,603 0.011,604 0.604,605 0.33,606 0.88,607 1.461,608 186.484,609 -0.052,610 -0.097,611 0.04,612 -0.033,613 -0.067,614 0.016,615 0.037,616 0.207,617 0.167,618 0.213,619 0.077,620 0.223,621 -0.014,622 0.077,623 0.027,624 0.055,625 0.019,626 0.055,627 -0.032,628 -0.123,629 0.004,630 -0.118,631 -0.068,632 -0.061,633 0.069,634 -0.039,635 0.099,636 -0.009,637 0.023,638 0.043,639 -0.031,640 -0.026,641 -0.066,642 -0.039,643 -0.028,644 -0.057,645 -0.054,646 -0.176,647 -0.282,648 -0.217,649 -0.041,650 -0.292,651 -0.085,652 -0.082,653 -0.127,654 -0.073,655 -0.078,656 -0.106,657 2.439,658 6.909,659 0.472,660 32.914,661 1.009,662 1.132,663 1.223,664 1.496,665 0.621,666 3.689,667 4.127,668 4.522,669 4.913,670 5.283,671 5.565,672 5.79,673 5.991,674 6.125,675 6.19,676 5.763,677 0.592,678 503.65,679 3.689,680 5.303,681 6.225,682 7.191,683 8.15,684 9.131,685 10.106,686 11.093,687 12.074,688 13.064,689 1.4,692 1,731 73,733 6,735 39,737 76,738 27,742 8,746 4,747 10,752 5,753 2,754 2,755 6,756 1,758 6,761 9,762 18,763 1,766 6,771 3,773 1,775 8,781 37,782 9,783 2,784 9,790 1,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 1,844 6,848 36,853 2,854 6,856 3,858 4,859 1,860 2,870 11,871 1,872 1,873 3,874 1,875 2,877 20.833,878 14.767,879 7.931,880 4.744,881 1.133,882 1.132,883 0.872,884 7.302,885 9.725,886 3.829,887 4.369,888 4.913,889 5.434,890 5.953,891 6.339,892 6.654,893 6.953,894 7.176,895 7.322,896 1,897 77,898 13.745,900 6.354,901 7.991,902 25.56,904 22.163,905 2.491,906 89.667,910 411.989,911 112.722,912 3.124,914 193.801,917 112.722,918 605.79,919 3.124,920 55.009,921 25.455,922 42.683,923 148.634,924 37.866,925 11.771,926 400.217,928 411.989,929 115.847,930 193.801,933 294.278,934 257.829,935 53.683,937 63.658,938 52.189,941 411.989,942 196.925,943 112.722,946 411.989,947 48.666,948 67.181,950 193.801,951 411.989,952 196.925,953 112.722,955 0.598,956 0.376,957 0.215,958 0.133,959 31,960 17,961 0.092,962 7,963 3,964 1.353,965 3.906,966 400.27,967 0.353,968 17,969 182.117,974 27.059,975 9.715,976 4.011,978 196.925,986 85.367,987 721.636,988 45,993 39.377,995 1.626,997 -1.087,999 73.625,1000 82.647,1001 0.236,1002 0.556,1003 0.814,1004 0.879,1005 0.879,1006 0.879,1007 5.193,1008 1.993,1009 6.315,1010 6.474,1011 4.812,1012 5.056,1013 3.096,1014 7.347,1015 4.755,1016 6.438,1017 1.784,1018 8.027,1019 5.871,1020 4.844,1021 5.165,1022 2.283,1023 8.894,1024 4.798,1025 7.819,1026 1.617,1027 9.857,1028 4.939,1029 6.668,1030 7.174,1031 4.235,1032 12.103,1033 6.589,1034 9.237,1035 1.313,1036 11.761,1037 4.604,1038 7.496,1039 8.059,1040 4.273,1041 14.467,1042 7.433,1043 10.692,1044 1.112,1045 13.712,1046 3.488,1047 8.921,1048 9.663,1049 5.712,1050 17.333,1051 8.84,1052 12.174,1053 0.731,1054 15.697,1055 2.72,1056 10.058,1057 10.866,1058 6.176,1059 19.97,1060 9.985,1061 13.677,1062 0.618,1063 17.708,1064 1.631,1065 11.386,1066 12.354,1067 7.348,1068 22.757,1069 11.303,1070 3.849,1071 0.52,1072 19.738,1073 1.199,1074 12.638,1075 13.696,1076 8.027,1077 25.483,1078 12.555,1079 3.575,1080 16.383,1081 21.782,1082 0.791,1083 13.951,1084 15.155,1085 9.063,1086 28.255,1087 13.86,1088 2.852,1089 14.589,1090 23.837,1091 4.407,1092 15.246,1093 16.562,1094 9.85,1095 31.012,1096 15.151,1097 2.789,1098 10.489,1099 25.902,1100 3.784,1101 16.562,1102 18.017,1103 10.818,1104 33.784,1105 16.46,1106 2.506,1107 10.005,1108 27.973,1109 3.406,1110 17.876,1111 19.456,1112 11.661,1113 36.554,1114 17.767,1115 2.303,1116 8.061,1117 30.049,1118 3.184,1119 19.197,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.207,1125 7.337,1126 32.13,1127 2.901,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 13561,1134 22335,1135 23.986,1136 45.347,1137 61.241,1138 63.691,1139 67.565,1140 60.008,1141 60.012,1142 67.477,1143 14.924,1144 198.252,1145 58.025,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 25.607,1156 1.57,1157 1.633,1158 1.732,1159 1.539,1160 1.539,1161 1.73,1162 0.383,1163 5.083,1164 1.488,1165 4.128,1166 4.144,1167 4.082,1168 4.051,1169 7.437,1170 4.055,1171 3.885,1172 3.913,1173 3.813,1174 3.776,1175 7.431,1176 3.78,1177 3.693,1178 3.761,1179 3.576,1180 3.519,1181 7.427,1182 3.523,1183 3.573,1184 3.591,1185 3.483,1186 3.342,1187 6.46,1188 3.363,1189 3.514,1190 3.533,1191 3.434,1192 3.29,1193 6.448,1194 3.317,1195 3.396,1196 3.426,1197 3.288,1198 3.221,1199 4.713,1200 3.229,1201 3.309,1202 3.407,1203 3.157,1204 3.132,1205 4.556,1206 3.122,1207 3.306,1208 3.363,1209 3.04,1210 3.123,1211 4.442,1212 3.089,1213 0.129,1214 0.109,1215 0.212,1216 0.124,1217 0.099,1218 5.02,1219 0.113,1220 4.232,1221 0.063,1222 8.266,1223 0.42,1224 4.842,1225 0.098,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.779,1238 1.749,1239 1.948,1240 1.942,1241 1.268,1242 1.945,1243 1.649,1244 1.584,1245 1.887,1246 1.854,1247 1.188,1248 1.866,1249 1.578,1250 1.524,1251 1.827,1252 1.766,1253 1.123,1254 1.785,1255 1.434,1256 1.402,1257 1.725,1258 1.704,1259 0.869,1260 1.692,1261 1.4,1262 1.361,1263 1.696,1264 1.657,1265 0.815,1266 1.655,1267 1.351,1268 1.269,1269 1.656,1270 1.584,1271 0.764,1272 1.638,1273 1.305,1274 1.256,1275 1.544,1276 1.506,1277 0.677,1278 1.514,1279 4.369,1281 5.778,1282 2.398,1283 7.405,1284 4.844,1285 9.154,1286 7.034,1287 10.976,1289 10.386,1294 22.353,1295 2.6,1297 17.14,1299 -2.722,1300 1.886,1301 -1.893,1305 43.222,1306 106.725,1307 251.374,1308 367.818,1309 397.328,1310 397.328,1311 397.328,1312 141.996,1313 8.592,1314 122.6,1315 122.6,1316 23,1317 13.53,1318 2.807,1319 2.807,1320 61.164,1321 121,1322 140,1323 0.254,1324 261.39,1325 491.7,1326 629.551,1327 58220,1329 26.577,1330 0.738,1331 0.609,1332 26.577,1333 21.921,1334 16.948,1335 0.435,1336 0.325,1337 12.483,1338 16.087,1339 12.011,1340 9.894,1341 16.948,1342 12.694,1343 16.178,1344 0.265,1345 0.175,1346 16.178,1347 10.649,1348 14.312,1349 0.157,1350 0.096,1351 14.312,1352 8.78,1353 12.403,1354 0.092,1355 0.051,1356 12.403,1357 6.861,1358 10.797,1359 0.055,1360 0.025,1361 10.797,1362 4.987,1363 0.373,1364 108.027,1365 0.204,1366 31.09,1367 0.795,1368 200,1369 616.358,1370 223.671,1371 565.727,1372 751.25,1373 526,1374 252,1375 530.131,1376 275.482,1377 529.588,1378 796.86,1379 496,1380 6.418}
{0 CHEMBL272265,1 1.352,2 12.567,3 4.186,4 17.524,5 115.394,6 8.566,7 0.794,8 3.926,9 4.026,10 3.636,11 3.61,12 5.168,13 3.598,14 4.384,15 4.517,16 3.97,17 3.984,18 5.537,19 3.957,20 4.589,21 4.756,22 4.014,23 4.094,24 5.73,25 4.042,26 4.601,27 4.792,28 3.938,29 4.051,30 5.711,31 3.985,32 4.536,33 4.732,34 3.881,35 3.991,36 5.655,37 3.927,38 4.455,39 4.631,40 3.836,41 3.945,42 5.594,43 3.886,44 4.465,45 4.66,46 3.746,47 3.911,48 5.535,49 3.829,50 4.418,51 4.631,52 3.666,53 3.81,54 5.488,55 3.73,56 0.004,57 0.601,58 5.981,59 3.174,60 8.553,61 3.761,62 0.081,63 0.997,64 10.894,65 5.162,66 13.29,67 6.071,68 0.113,69 1.231,70 15.343,71 6.944,72 26.062,73 8.487,74 0.129,75 1.248,76 17.125,77 7.509,78 24.822,79 9.46,80 0.109,81 1.16,82 16.547,83 7.155,84 29.511,85 9.057,86 0.095,87 1.071,88 13.849,89 6.144,90 23.207,91 7.48,92 0.106,93 1.068,94 15.13,95 6.813,96 21.444,97 8.759,98 0.093,99 1.029,100 15.584,101 6.674,102 23.934,103 8.642,104 4,105 47,106 0.223,107 0.561,108 0.748,109 0.863,110 0.87,111 0.87,112 3.441,113 0.835,114 -3.93,115 -3.89,116 -3.69,119 55.6,121 1,141 2,142 9,143 4,144 1,145 3,146 2,152 1,158 1,160 1,172 14,174 1,175 8,183 16,186 1,187 9,195 13,198 1,199 10,207 8,212 11,220 9,224 9,232 11,236 1,237 8,245 12,250 4,258 9,262 3,263 5,271 8,275 1608,276 21.093,277 21.093,278 21.093,279 21.093,280 21.093,281 17.636,282 15.267,283 12.669,284 21.386,285 16.801,286 16.801,287 16.801,288 16.801,289 16.801,290 11.558,291 10.998,292 5.982,293 17.284,294 4.14,295 2.092,296 0.962,297 0.267,298 0.222,299 0.222,300 4.158,304 1,305 1,306 835,307 2.915,310 56.708,311 302.472,314 98.544,315 107.803,318 2.042,319 17.084,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 62.5,331 377,332 4.77,333 4.055,334 6.993,335 4.263,336 3.302,337 4.843,338 2.517,339 11.943,340 3.178,341 4.261,342 3.351,343 6.131,344 3.757,345 2.782,346 3.933,348 8.96,349 2.711,350 4.122,351 3.038,352 5.644,353 3.564,354 2.572,355 3.661,357 7.51,358 2.551,359 3.939,360 2.847,361 5.385,362 3.473,363 2.488,364 3.546,366 7.057,367 2.449,368 3.701,369 2.709,370 5.304,371 3.251,372 2.272,373 3.118,375 6.776,376 2.22,377 3.605,378 2.531,379 5.187,380 3.088,381 2.112,382 2.95,384 6.446,385 2.058,386 3.375,387 2.235,388 4.793,389 2.693,390 1.729,391 2.561,393 5.023,394 1.663,395 3.221,396 1.748,397 4.288,398 2.458,399 1.493,400 2.221,402 3.671,403 1.439,404 3.136,405 1.628,406 3.693,407 2.307,408 1.347,409 1.992,411 3.15,412 1.29,413 2.773,414 1.42,415 3.638,416 2.017,417 1.057,418 1.715,420 2.275,421 1.012,422 2.71,423 1.12,424 3.414,425 2,426 1,427 1.5,428 2.165,429 1,430 2.5,431 1,432 3.323,433 1.957,434 1,435 1.5,436 2.136,437 0.954,438 2.5,439 1,440 3.247,441 1.811,442 0.844,443 1.35,445 1.99,446 0.814,447 2.327,448 0.907,449 3.166,450 1.728,451 0.783,452 1.224,454 1.775,455 0.737,456 2.18,457 0.813,458 3.099,459 1.525,460 0.56,461 0.928,463 1.332,464 0.54,465 14.5,466 0.483,467 0.53,468 0.018,469 48.5,470 1.617,471 29,472 0.967,473 19.5,474 0.65,475 18.456,476 0.615,477 27.5,478 0.611,479 34.687,480 1.156,481 9.577,482 0.319,483 5.237,484 0.175,485 0.028,487 0.303,493 0.771,494 1.106,495 0.64,496 0.872,497 0.494,498 0.769,499 0.994,500 0.991,501 0.849,502 0.886,503 0.618,504 0.858,505 1.004,506 1.027,507 0.996,508 1.011,509 0.857,510 1.004,511 0.957,512 0.991,513 0.996,514 1.006,515 0.684,516 1.005,517 0.991,518 0.954,519 0.928,520 0.923,521 0.989,522 0.919,523 1.117,524 1.011,525 1.048,526 1.004,527 0.923,528 1.015,529 0.804,530 0.963,531 1.041,532 1.071,533 0.614,534 1.081,535 0.932,536 1.026,537 0.97,538 1.015,539 0.776,540 1.001,541 4.5,542 0.122,543 2.889,544 1.125,545 1.641,546 0.875,547 0.469,548 0.431,549 0.287,550 0.221,551 12693,552 35163,553 2.207,554 33.3,556 9,558 4,560 2,564 1.729,565 2.143,566 3.583,567 -0.825,569 1,573 60.824,574 1.352,575 3.4,576 4.53,577 5.225,578 5.27,579 5.27,580 3.043,581 4.348,582 4.869,583 3.731,584 1623.05,585 8.505,586 22402,588 1,590 1,591 247.133,592 1.075,593 4.87,594 0.132,595 0.005,596 0.061,597 0.023,598 0.037,599 0.021,600 0.012,601 0.012,602 0.009,603 0.007,604 0.32,605 0.5,606 0.88,607 0.654,608 154.278,609 0.007,610 -0.161,611 0.058,612 -0.055,613 0.059,614 -0.006,615 -0.05,616 -0.002,617 -0.063,618 -0.031,619 -0.093,620 -0.045,621 -0.057,622 -0.05,623 -0.103,624 -0.087,625 -0.085,626 -0.097,627 -0.016,628 -0.024,629 -0.029,630 -0.03,631 0.001,632 -0.031,633 -0.069,634 0.008,635 0.054,636 0.066,637 -0.043,638 0.073,639 -0.169,640 -0.035,641 -0.133,642 -0.064,643 -0.096,644 -0.087,645 0.023,646 -0.031,647 -0.062,648 -0.071,649 -0.008,650 -0.075,651 -0.012,652 -0.074,653 0.071,654 0.013,655 0.015,656 0.043,657 1.1,658 2.888,659 0.833,660 34.053,661 0.998,662 1.102,663 2.702,664 7.303,665 0.752,666 3.555,667 3.871,668 4.19,669 4.5,670 4.787,671 4.913,672 5.106,673 5.313,674 5.468,675 5.561,676 7.042,677 0.728,678 385.45,679 3.555,680 5.094,681 5.958,682 6.843,683 7.729,684 8.625,685 9.523,686 10.427,687 11.332,688 12.241,689 11.1,697 1,698 1,699 3,703 4,704 13,705 3,709 4,710 1,711 27,731 45,733 29,734 2,735 34,737 49,738 25,739 21,740 5,741 7,746 5,747 8,758 1,760 3,761 21,762 1,778 1,781 15,782 4,784 5,787 1,790 5,794 0.6,805 2,811 1,812 4,815 1,816 1,819 2,822 1,840 3,848 30,854 1,861 2,866 1,868 3,877 14,878 8.583,879 6.639,880 2.681,881 6.225,882 1.74,883 1.057,884 4.509,885 14.632,886 3.961,887 4.608,888 5.316,889 6.013,890 6.676,891 7.158,892 7.744,893 8.322,894 8.849,895 9.313,896 0.889,897 48,898 10.964,900 4.662,901 7.678,902 20.95,904 17.235,905 2.178,906 65.333,909 1,910 176.567,911 195.563,912 83.315,917 195.563,918 176.567,919 83.315,921 2.535,922 85.286,923 122.661,924 79.275,925 36.205,926 129.482,928 176.567,929 278.878,933 176.567,937 75.542,938 118.919,939 84.418,941 176.567,942 83.315,943 195.563,946 176.567,947 23.853,948 122.946,949 50.663,950 81.416,951 176.567,952 83.315,953 195.563,955 0.571,956 0.338,957 0.191,958 0.108,959 24,960 9,961 0.041,962 2,963 2,964 1.16,965 4.263,966 277.363,967 0.16,968 25,969 143.207,974 17.776,975 7.61,976 3.461,977 3.681,978 81.416,979 24.849,980 13.177,984 3.748,985 2.049,987 455.445,988 51.5,999 44.927,1000 49.568,1001 0.246,1002 0.619,1003 0.825,1004 0.951,1005 0.96,1006 0.96,1007 5.186,1008 1.493,1009 5.922,1010 5.023,1011 4.554,1012 5.296,1013 2.615,1014 6.737,1015 4.499,1016 6.428,1017 1.347,1018 7.471,1019 3.671,1020 4.007,1021 5.007,1023 7.647,1024 3.931,1025 7.749,1026 1.057,1027 9.125,1028 3.15,1029 6.138,1030 7.614,1031 4.398,1032 10.793,1033 6.03,1034 9.109,1035 1,1036 10.844,1037 2.275,1038 6.479,1039 8.255,1041 12.617,1042 6.336,1043 10.5,1044 1,1045 12.608,1046 2.165,1047 8.02,1048 10.241,1049 6.233,1050 15.288,1051 7.85,1052 11.917,1053 0.844,1054 14.404,1055 2.136,1056 8.788,1057 11.347,1059 17.498,1060 8.572,1061 13.354,1062 0.783,1063 16.226,1064 1.99,1065 10.091,1066 13.073,1067 8.077,1068 20.029,1069 9.847,1070 3.302,1071 0.56,1072 18.067,1073 1.775,1074 11.072,1075 14.419,1077 22.4,1078 10.779,1079 2.782,1080 11.943,1081 19.925,1082 1.332,1083 12.284,1084 16.039,1085 9.923,1086 24.89,1087 11.958,1088 2.572,1089 8.96,1090 21.796,1091 4.843,1092 13.37,1093 17.504,1095 27.326,1096 12.995,1097 2.488,1098 7.51,1099 23.68,1100 3.933,1101 14.552,1102 19.085,1103 11.769,1104 29.805,1105 14.14,1106 2.272,1107 7.057,1108 25.573,1109 3.661,1110 15.689,1111 20.607,1113 32.266,1114 15.23,1115 2.112,1116 6.776,1117 27.474,1118 3.546,1119 16.866,1120 22.178,1121 13.615,1122 34.744,1123 16.367,1124 1.729,1125 6.446,1126 29.382,1127 3.118,1128 18.028,1129 23.727,1131 37.216,1132 17.485,1133 11774,1134 19719,1135 23.75,1136 33.836,1137 52.799,1138 54.057,1139 51.671,1140 50.662,1141 50.682,1142 74.083,1143 5.034,1144 144.416,1145 49.235,1146 5.451,1147 6.055,1148 6.795,1149 5.313,1150 5.302,1151 7.843,1152 5.034,1153 19.339,1154 5.178,1155 7.768,1156 1.553,1157 1.59,1158 1.52,1159 1.49,1160 1.491,1161 2.179,1162 0.148,1163 4.248,1164 1.448,1165 4.202,1166 4.236,1167 4.181,1168 4.105,1169 6.818,1170 4.119,1171 3.916,1172 3.945,1173 3.865,1174 3.857,1175 5.144,1176 3.855,1177 3.868,1178 3.905,1179 3.815,1180 3.785,1181 4.97,1182 3.789,1183 3.678,1184 3.72,1185 3.626,1186 3.568,1187 4.761,1188 3.578,1189 3.391,1190 3.445,1191 3.332,1192 3.252,1193 4.651,1194 3.263,1195 3.242,1196 3.289,1197 3.2,1198 3.131,1199 4.479,1200 3.14,1201 3.031,1202 3.082,1203 2.965,1204 2.885,1205 4.128,1206 2.899,1207 2.859,1208 2.925,1209 2.744,1210 2.745,1211 3.799,1212 2.739,1213 0.14,1214 0.119,1215 0.206,1216 0.125,1217 0.097,1218 4.77,1219 0.142,1220 4.055,1221 0.074,1222 6.993,1223 0.351,1224 4.263,1225 0.093,1226 3.302,1227 4.843,1228 2.517,1229 11.943,1230 3.178,1231 2.071,1232 2.05,1233 2.122,1234 2.153,1235 1.277,1236 2.145,1237 1.918,1238 1.891,1239 2.022,1240 2.004,1241 1.147,1242 2.011,1243 1.836,1244 1.805,1245 1.937,1246 1.947,1247 0.941,1248 1.947,1249 1.52,1250 1.489,1251 1.614,1252 1.648,1253 0.744,1254 1.63,1255 1.434,1256 1.376,1257 1.574,1258 1.627,1259 0.627,1260 1.624,1261 1.207,1262 1.151,1263 1.363,1264 1.412,1265 0.375,1266 1.405,1267 1.141,1268 1.105,1269 1.273,1270 1.24,1271 0.251,1272 1.25,1273 0.889,1274 0.834,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.234,1281 5.549,1282 2.398,1283 7.072,1284 4.727,1285 8.693,1286 6.862,1287 10.368,1295 0.4,1303 8.888,1304 8.541,1305 32.741,1306 60.824,1307 152.989,1308 203.849,1309 235.133,1310 237.133,1311 237.133,1312 35.498,1313 8.407,1314 67.39,1315 67.39,1316 29,1317 12.758,1318 4.907,1319 4.209,1320 41.587,1321 122,1322 151,1323 0.163,1324 200.745,1325 337.52,1326 481.578,1327 58098,1329 20.338,1330 0.678,1331 0.532,1332 20.338,1333 15.949,1334 14.814,1335 0.436,1336 0.278,1337 9.378,1338 14.471,1339 9.164,1340 7.606,1341 14.814,1342 9.458,1343 12.91,1344 0.275,1345 0.145,1346 12.91,1347 6.832,1348 11.371,1349 0.175,1350 0.075,1351 11.371,1352 4.884,1353 9.835,1354 0.111,1355 0.038,1356 9.835,1357 3.414,1358 8.365,1359 0.07,1360 0.02,1361 8.365,1362 2.368,1363 0.256,1364 91.183,1365 0.205,1366 28.419,1367 0.446,1368 162,1369 440.226,1370 170.326,1371 448.79,1372 630.04,1373 422,1374 193,1375 476.324,1376 202.548,1377 492.612,1378 715.13,1379 464,1380 7.194}
{0 CHEMBL272281,1 1.478,2 11.683,3 1.228,4 1.507,5 148.165,6 7.021,8 4.492,9 4.593,10 3.983,11 3.94,12 5.585,13 3.93,14 5.11,15 5.278,16 4.453,17 4.4,18 6.2,19 4.384,20 5.433,21 5.578,22 4.652,23 4.7,24 6.555,25 4.658,26 5.699,27 5.907,28 4.802,29 4.839,30 6.752,31 4.783,32 5.779,33 5.954,34 4.882,35 4.842,36 7.017,37 4.817,38 5.786,39 5.974,40 4.866,41 4.848,42 7.044,43 4.818,44 5.797,45 5.975,46 4.764,47 4.848,48 7.119,49 4.771,50 5.853,51 6.123,52 4.529,53 4.697,54 6.945,55 4.581,56 0.146,57 1.081,58 18.589,59 8.42,60 26.04,61 10.652,62 0.817,63 1.793,64 37.706,65 14.015,66 90.339,67 18.565,68 1.129,69 2.432,70 51.912,71 19.759,72 137.667,73 25.547,74 1.1,75 2.959,76 69.654,77 24.445,78 160.355,79 33.641,80 2.209,81 3.019,82 77.985,83 23.804,84 281.643,85 31.987,86 2.284,87 3.064,88 78.93,89 23.524,90 300.673,91 32.047,92 2.39,93 3.089,94 78.7,95 25.292,96 344.263,97 34.489,98 2.38,99 2.892,100 88.26,101 24.157,102 326.053,103 35.95,104 219,105 70,106 0.227,107 0.532,108 0.785,109 0.849,110 0.849,111 0.849,112 3.742,113 0.946,114 -2.32,115 -2.35,116 -2.31,119 36.6,120 6,121 3,122 1,123 2,124 2,125 2,127 3,130 1,136 4,137 1,138 1,156 1,158 3,172 11,174 3,175 12,180 3,183 18,186 3,187 12,190 1,192 7,195 15,198 2,199 19,204 4,207 11,211 3,212 23,215 4,217 3,220 11,223 4,224 12,227 3,229 4,232 10,236 10,237 15,240 1,241 1,242 3,245 8,249 1,250 11,253 4,255 2,258 3,262 4,263 14,266 1,271 3,275 3356,276 25.699,277 25.699,278 25.699,279 25.699,280 25.699,281 24.503,282 33.272,283 14.296,284 26.299,285 21.602,286 21.602,287 21.602,288 21.602,289 21.602,290 19.414,291 42.15,292 6.63,293 22.466,294 4.879,295 2.885,296 1.233,297 0.818,298 0.818,299 0.818,300 4.418,306 997,307 5.701,310 75.541,311 229.232,314 125.98,315 253.741,318 1.788,319 86.423,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.64,330 92.5,331 479,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.473,339 16.383,340 3.82,341 4.617,342 3.807,343 7.865,344 4.567,345 3.575,346 3.784,347 2.455,348 14.589,349 3.543,350 4.179,351 3.779,352 6.696,353 4.072,354 3.133,355 3.406,356 1.674,357 10.485,358 2.93,359 4.148,360 3.65,361 6.588,362 3.831,363 2.848,364 3.21,365 1.148,366 10.156,367 2.803,368 4.015,369 3.559,370 6.446,371 3.788,372 2.789,373 3.183,374 0.86,375 10.001,376 2.777,377 3.729,378 3.461,379 5.942,380 3.457,381 2.51,382 2.901,383 0.841,384 8.038,385 2.366,386 3.578,387 3.204,388 5.763,389 3.326,390 2.36,391 2.731,392 0.525,393 7.327,394 2.261,395 3.551,396 2.89,397 5.361,398 3.178,399 2.211,400 2.669,401 0.297,402 6.614,403 2.12,404 3.263,405 2.704,406 5.238,407 2.988,408 2.015,409 2.317,411 5.932,412 1.938,413 3.062,414 2.513,415 5.088,416 2.809,417 1.827,418 2.07,420 4.939,421 1.77,422 2.882,423 2.371,424 4.624,425 2.717,426 1.752,427 1.872,428 4.754,429 1.668,430 2.655,431 2.087,432 4.569,433 2.578,434 1.616,435 1.647,436 4.598,437 1.543,438 2.455,439 1.841,440 4.282,441 2.266,442 1.307,443 1.408,445 3.488,446 1.241,447 2.377,448 1.716,449 4.106,450 2.003,451 1.09,452 1.223,454 2.643,455 0.981,456 2.109,457 1.585,458 3.819,459 1.642,460 0.684,461 0.859,463 1.594,464 0.639,465 18.733,466 0.457,467 1.808,468 0.044,469 36.75,470 0.896,471 10.5,472 0.256,473 26.25,474 0.64,475 63.273,476 1.543,477 49.067,478 0.598,479 40.55,480 0.989,481 6.802,482 0.166,483 12.148,484 0.296,485 0.32,486 0.08,487 0.368,493 0.782,494 1.442,495 0.835,496 1.34,497 0.692,498 1.136,499 0.797,500 0.929,501 0.719,502 0.889,503 0.53,504 0.791,505 1.028,506 1.185,507 1.082,508 1.19,509 0.848,510 1.16,511 0.828,512 1.124,513 0.808,514 1.102,515 0.844,516 0.974,517 1.268,518 1.115,519 1.064,520 1.057,521 1.3,522 1.017,523 1.242,524 0.978,525 1.067,526 0.96,527 1.277,528 0.959,529 1.011,530 1.299,531 1.222,532 1.33,533 1.156,534 1.333,535 0.979,536 0.845,537 0.893,538 0.829,539 1.003,540 0.838,541 13.5,542 0.383,543 6.889,544 5.979,545 5.226,546 3.615,547 2.453,548 1.453,549 0.996,550 0.682,551 20615,552 58292,553 1.907,554 50,555 9,556 13,557 1,559 2,560 3,561 13,564 1.816,565 1.679,566 3.396,567 0.161,573 121.234,574 1.478,575 3.473,576 5.124,577 5.54,578 5.54,579 5.54,580 2.933,581 5.077,582 5.321,583 3.651,584 2993.93,585 9.467,586 47711.9,591 521.319,592 1.831,593 5.203,594 0.307,595 0.009,596 0.098,597 0.073,598 0.056,599 0.037,600 0.026,601 0.018,602 0.016,603 0.012,604 0.652,605 0.33,606 0.75,607 1.735,608 224.661,609 -0.053,610 -0.119,611 0.04,612 -0.058,613 -0.074,614 0.002,615 0.07,616 0.238,617 0.219,618 0.232,619 0.108,620 0.265,621 -0.069,622 -0.021,623 -0.139,624 -0.041,625 -0.054,626 -0.101,627 0.002,628 -0.068,629 0.136,630 -0.037,631 -0.013,632 0.065,633 -0.049,634 -0.08,635 -0.042,636 -0.044,637 -0.079,638 -0.044,639 -0.06,640 0.07,641 -0.047,642 0.031,643 -0.038,644 0.005,645 0.084,646 -0.249,647 -0.231,648 -0.293,649 0.045,650 -0.337,651 0.022,652 0.031,653 0.12,654 0.066,655 0.017,656 0.111,657 2.579,658 7.03,659 0.415,660 46.47,661 1.013,662 1.133,663 1.087,664 1.182,665 0.619,666 3.807,667 4.263,668 4.575,669 4.977,670 5.308,671 5.591,672 5.811,673 6.026,674 6.172,675 6.258,676 6.973,677 0.594,678 575.72,679 3.807,680 5.434,681 6.33,682 7.298,683 8.234,684 9.212,685 10.168,686 11.153,687 12.12,688 13.108,689 1.2,692 1,731 82,733 7,735 44,737 85,738 30,742 8,746 4,747 10,752 6,753 2,754 2,755 6,756 1,758 6,761 10,762 20,763 2,766 7,771 4,773 1,775 9,781 41,782 11,783 2,784 11,790 1,794 0.25,795 10,797 1,811 1,812 3,815 1,816 2,824 1,829 3,831 1,832 4,836 1,838 2,839 1,840 1,844 8,848 41,853 2,854 5,856 4,858 4,859 1,860 3,870 12.2,871 1,872 1,873 4,874 1,875 3,877 24.417,878 17.1,879 8.639,880 4.844,881 1.265,882 1.143,883 0.861,884 8.512,885 10.089,886 3.951,887 4.5,888 4.963,889 5.489,890 5.971,891 6.353,892 6.692,893 6.996,894 7.246,895 7.396,896 0.875,897 82,898 15.67,900 7.255,901 8.075,902 28.739,904 24.645,905 2.575,906 105.583,910 459.073,911 135.03,912 3.124,914 229.946,917 135.03,918 689.019,919 3.124,920 72.231,921 23.349,922 42.683,923 180.97,924 48.866,925 11.771,926 447.302,928 459.073,929 138.154,930 229.946,933 306.049,934 329.287,935 53.683,937 70.377,938 67.777,941 459.073,942 233.07,943 135.03,946 459.073,947 53.751,948 84.402,950 229.946,951 459.073,952 233.07,953 135.03,955 0.609,956 0.347,957 0.202,958 0.119,959 35,960 20,961 0.106,962 9,963 3,964 1.353,965 4.278,966 464.986,967 0.353,968 17,969 211.66,974 31.582,975 11.05,976 5.456,978 233.07,986 85.367,987 827.173,988 51,993 52.215,995 1.352,997 -2.57,999 83.047,1000 92.896,1001 0.233,1002 0.546,1003 0.806,1004 0.871,1005 0.871,1006 0.871,1007 5.328,1008 2.211,1009 6.444,1010 7.327,1011 4.949,1012 5.187,1013 3.487,1014 7.46,1015 4.885,1016 6.589,1017 2.015,1018 8.147,1019 6.614,1020 5.056,1021 5.352,1022 2.903,1023 9.006,1024 4.994,1025 7.972,1026 1.827,1027 9.967,1028 5.932,1029 6.812,1030 7.291,1031 4.767,1032 12.173,1033 6.714,1034 9.384,1035 1.752,1036 11.859,1037 4.939,1038 7.655,1039 8.178,1040 4.985,1041 14.519,1042 7.564,1043 10.831,1044 1.616,1045 13.798,1046 4.754,1047 9.051,1048 9.749,1049 6.331,1050 17.367,1051 8.94,1052 12.302,1053 1.307,1054 15.771,1055 4.598,1056 10.18,1057 10.941,1058 6.903,1059 19.993,1060 10.072,1061 13.793,1062 1.09,1063 17.771,1064 3.488,1065 11.49,1066 12.41,1067 8.019,1068 22.772,1069 11.373,1070 3.849,1071 0.684,1072 19.79,1073 2.643,1074 12.729,1075 13.741,1076 8.759,1077 25.493,1078 12.612,1079 3.575,1080 16.383,1081 21.825,1082 1.594,1083 14.029,1084 15.188,1085 9.767,1086 28.261,1087 13.906,1088 3.133,1089 14.589,1090 23.873,1091 4.407,1092 15.313,1093 16.587,1094 10.588,1095 31.016,1096 15.187,1097 2.848,1098 10.485,1099 25.93,1100 3.784,1101 16.618,1102 18.036,1103 11.543,1104 33.787,1105 16.489,1106 2.789,1107 10.156,1108 27.996,1109 3.406,1110 17.923,1111 19.471,1112 12.404,1113 36.556,1114 17.79,1115 2.51,1116 10.001,1117 30.068,1118 3.21,1119 19.237,1120 20.927,1121 13.333,1122 39.331,1123 19.1,1124 2.36,1125 8.038,1126 32.146,1127 3.183,1128 20.553,1129 22.38,1130 14.215,1131 42.107,1132 20.411,1133 20734,1134 34960,1135 26.471,1136 50.779,1137 70.067,1138 73.4,1139 75.05,1140 68.434,1141 68.425,1142 76.93,1143 20.546,1144 226.19,1145 66.043,1146 6.02,1147 6.18,1148 8.027,1149 5.935,1150 5.849,1151 7.171,1152 4.251,1153 25.386,1154 5.82,1155 32.087,1156 1.592,1157 1.668,1158 1.706,1159 1.555,1160 1.555,1161 1.748,1162 0.467,1163 5.141,1164 1.501,1165 4.129,1166 4.145,1167 4.083,1168 4.052,1169 7.439,1170 4.056,1171 3.885,1172 3.911,1173 3.814,1174 3.775,1175 7.431,1176 3.779,1177 3.767,1178 3.803,1179 3.672,1180 3.583,1181 7.43,1182 3.592,1183 3.621,1184 3.68,1185 3.52,1186 3.456,1187 7.427,1188 3.463,1189 3.562,1190 3.587,1191 3.466,1192 3.324,1193 6.46,1194 3.348,1195 3.513,1196 3.531,1197 3.429,1198 3.289,1199 6.448,1200 3.317,1201 3.382,1202 3.409,1203 3.288,1204 3.19,1205 4.715,1206 3.207,1207 3.308,1208 3.358,1209 3.157,1210 3.127,1211 4.571,1212 3.121,1213 0.114,1214 0.096,1215 0.188,1216 0.11,1217 0.087,1218 5.02,1219 0.1,1220 4.232,1221 0.056,1222 8.266,1223 0.372,1224 4.842,1225 0.087,1226 3.849,1227 4.407,1228 2.473,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.12,1237 1.775,1238 1.747,1239 1.952,1240 1.945,1241 1.266,1242 1.94,1243 1.705,1244 1.66,1245 1.92,1246 1.899,1247 1.187,1248 1.906,1249 1.599,1250 1.547,1251 1.833,1252 1.795,1253 1.121,1254 1.807,1255 1.551,1256 1.491,1257 1.787,1258 1.762,1259 0.964,1260 1.777,1261 1.432,1262 1.399,1263 1.696,1264 1.704,1265 0.81,1266 1.692,1267 1.388,1268 1.353,1269 1.651,1270 1.65,1271 0.752,1272 1.648,1273 1.274,1274 1.246,1275 1.507,1276 1.492,1277 0.674,1278 1.49,1279 4.489,1281 5.911,1282 2.398,1283 7.525,1284 4.844,1285 9.251,1286 7.034,1287 11.052,1289 13.094,1294 22.501,1295 0.922,1297 22.495,1299 -3.04,1300 1.422,1301 -2.808,1305 48.705,1306 121.234,1307 284.779,1308 420.187,1309 454.261,1310 454.261,1311 454.261,1312 185.937,1313 8.823,1314 148.9,1315 148.9,1316 23,1317 13.577,1318 3,1319 3,1320 75.457,1321 164,1322 209,1323 0.225,1324 295.232,1325 558.54,1326 712.126,1327 80547,1329 30.654,1330 0.748,1331 0.61,1332 30.654,1333 25.03,1334 18.95,1335 0.431,1336 0.315,1337 13.619,1338 17.898,1339 12.977,1340 10.744,1341 18.95,1342 13.877,1343 19.707,1344 0.282,1345 0.185,1346 19.707,1347 12.93,1348 14.992,1349 0.156,1350 0.092,1351 14.992,1352 8.804,1353 13.773,1354 0.096,1355 0.049,1356 13.773,1357 7.116,1358 11.191,1359 0.056,1360 0.025,1361 11.191,1362 5.07,1363 0.339,1364 121.465,1365 0.194,1366 35.208,1367 0.668,1368 228,1369 741.829,1370 258.534,1371 678.844,1372 890.63,1373 628,1374 280,1375 623.688,1376 308.743,1377 624.171,1378 926.07,1379 579,1380 5.801}
{0 CHEMBL272593,1 1.504,2 11.564,3 0.401,4 0.161,5 138.896,6 7.206,8 4.425,9 4.522,10 3.932,11 3.876,12 5.55,13 3.873,14 5.034,15 5.194,16 4.38,17 4.345,18 6.171,19 4.325,20 5.367,21 5.524,22 4.601,23 4.64,24 6.481,25 4.599,26 5.619,27 5.811,28 4.738,29 4.785,30 6.675,31 4.732,32 5.737,33 5.924,34 4.853,35 4.813,36 6.947,37 4.78,38 5.742,39 5.919,40 4.832,41 4.81,42 7.03,43 4.78,44 5.76,45 5.94,46 4.689,47 4.789,48 7.052,49 4.718,50 5.773,51 6.027,52 4.429,53 4.642,54 6.863,55 4.526,56 0.195,57 1.007,58 16.797,59 7.767,60 32.577,61 9.621,62 0.828,63 1.687,64 34.044,65 13.113,66 105.36,67 17.12,68 1.007,69 2.299,70 47.501,71 18.52,72 149.509,73 24.052,74 1.216,75 2.783,76 63.286,77 22.63,78 180.264,79 30.507,80 2.182,81 2.925,82 73.898,83 23.589,84 263.128,85 31.79,86 2.308,87 2.92,88 74.44,89 23.09,90 316.357,91 30.667,92 2.385,93 2.925,94 75.911,95 23.781,96 352.588,97 31.877,98 2.32,99 2.721,100 81.604,101 22.575,102 318.783,103 32.9,104 167,105 65,106 0.234,107 0.564,108 0.838,109 0.895,110 0.895,111 0.895,112 3.694,113 0.942,114 -1.93,115 -1.98,116 -1.98,119 36.8,120 3,121 5,122 1,123 2,124 2,125 2,127 3,136 4,137 1,138 1,156 1,158 3,167 1,170 1,172 12,173 1,174 2,175 11,178 1,180 4,183 15,184 1,186 1,187 14,190 1,192 8,195 15,198 2,199 16,200 1,204 4,207 12,211 4,212 18,215 5,217 3,220 13,223 4,224 12,227 3,229 4,232 12,233 1,236 6,237 16,240 1,241 1,242 5,245 8,246 1,249 1,250 9,251 2,253 2,255 4,258 3,259 1,262 4,263 10,266 3,268 1,269 1,271 3,272 2,275 2952,276 25.011,277 25.011,278 25.011,279 25.011,280 25.011,281 23.762,282 32.146,283 14.185,284 25.513,285 20.597,286 20.597,287 20.597,288 20.597,289 20.597,290 18.364,291 39.349,292 6.572,293 21.298,294 4.744,295 2.621,296 0.865,297 0.497,298 0.497,299 0.497,300 4.373,306 943,307 5.244,310 69.724,311 212.303,314 116.25,315 235.156,318 1.758,319 84.709,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.64,330 88.5,331 451,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 2.341,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.83,354 2.847,355 3.404,356 1.674,357 10.485,358 2.803,359 4.015,360 3.596,361 6.588,362 3.788,363 2.789,364 3.184,365 1.148,366 10.001,367 2.777,368 3.721,369 3.56,370 5.941,371 3.44,372 2.494,373 2.898,374 0.86,375 8.029,376 2.349,377 3.567,378 3.461,379 5.762,380 3.276,381 2.303,382 2.73,383 0.8,384 7.319,385 2.237,386 3.553,387 2.892,388 5.361,389 3.183,390 2.214,391 2.712,392 0.525,393 6.123,394 2.126,395 3.355,396 2.755,397 5.103,398 3.106,399 2.147,400 2.411,402 5.751,403 2.023,404 3.157,405 2.558,406 4.995,407 2.96,408 1.984,409 2.17,411 5.124,412 1.918,413 2.915,414 2.372,415 4.641,416 2.763,417 1.783,418 1.907,420 4.939,421 1.728,422 2.656,423 2.089,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.499,431 1.841,432 4.282,433 2.271,434 1.316,435 1.427,436 3.488,437 1.244,438 2.437,439 1.721,440 4.115,441 2.114,442 1.147,443 1.319,445 2.785,446 1.098,447 2.122,448 1.621,449 3.822,450 1.93,451 0.996,452 1.041,454 2.091,455 0.918,456 2.039,457 1.348,458 3.749,459 1.625,460 0.661,461 0.815,463 1.537,464 0.621,465 17.733,466 0.455,467 1.492,468 0.038,469 35.5,470 0.91,471 10.5,472 0.269,473 25,474 0.641,475 56.947,476 1.46,477 46.467,478 0.611,479 38.242,480 0.981,481 6.705,482 0.172,483 11.561,484 0.296,485 0.273,486 0.056,487 0.389,493 0.803,494 1.385,495 0.823,496 1.279,497 0.71,498 1.091,499 0.744,500 0.956,501 0.765,502 0.927,503 0.5,504 0.854,505 0.866,506 1.166,507 0.958,508 1.153,509 0.775,510 1.092,511 0.87,512 1.154,513 0.907,514 1.143,515 0.835,516 1.052,517 1.001,518 1.061,519 0.933,520 1.039,521 0.929,522 0.981,523 1.188,524 1.052,525 1.078,526 1.042,527 1.176,528 1.03,529 1.173,530 1.21,531 1.273,532 1.241,533 1.236,534 1.281,535 1.066,536 0.924,537 1.039,538 0.918,539 1.021,540 0.964,541 11,542 0.263,543 6.667,544 5.229,545 5.146,546 3.504,547 2.331,548 1.313,549 0.84,550 0.508,551 17893,552 56198,553 1.937,554 48.7,555 9,556 13,557 1,559 3,560 5,561 6,564 1.805,565 1.721,566 3.351,567 0.799,573 114.267,574 1.504,575 3.627,576 5.382,577 5.751,578 5.751,579 5.751,580 2.92,581 4.824,582 5.245,583 3.587,584 2657.77,585 9.324,586 40672.1,591 474.842,592 1.789,593 5.147,594 0.262,595 0.008,596 0.103,597 0.066,598 0.058,599 0.037,600 0.025,601 0.018,602 0.015,603 0.011,604 0.602,605 0.33,606 0.75,607 1.77,608 209.936,609 -0.076,610 -0.074,611 0.024,612 -0.012,613 -0.069,614 0.025,615 0.06,616 0.225,617 0.142,618 0.206,619 0.12,620 0.204,621 -0.043,622 -0.013,623 -0.051,624 -0.012,625 -0.027,626 -0.03,627 -0.044,628 -0.075,629 0.024,630 -0.066,631 -0.065,632 -0.013,633 0.043,634 -0.035,635 0.052,636 -0.019,637 -0.005,638 0.01,639 -0.057,640 -0.017,641 -0.079,642 -0.033,643 -0.044,644 -0.056,645 -0.068,646 -0.186,647 -0.281,648 -0.228,649 -0.074,650 -0.302,651 -0.071,652 -0.027,653 -0.025,654 -0.004,655 -0.06,656 -0.002,657 2.612,658 6.952,659 0.436,660 43.515,661 1.017,662 1.132,663 0.699,664 0.489,665 0.622,666 3.761,667 4.19,668 4.543,669 4.934,670 5.298,671 5.576,672 5.796,673 6.006,674 6.146,675 6.223,676 6.671,677 0.601,678 547.66,679 3.761,680 5.371,681 6.275,682 7.233,683 8.181,684 9.156,685 10.123,686 11.107,687 12.083,688 13.072,689 1.3,692 1,731 76,733 7,735 42,737 79,738 28,742 8,746 4,747 10,752 3,753 2,754 2,755 6,756 1,758 8,761 10,762 18,763 1,766 7,771 4,773 1,775 9,781 37,782 11,783 3,784 11,790 1,794 0.25,795 10,797 1,811 1,812 3,815 1,816 2,824 1,828 1,829 2,831 1,832 4,836 1,838 3,839 1,840 1,844 5,848 39,853 3,854 7,856 3,858 4,859 1,860 2,870 13.2,871 1,872 2,873 4,874 1,875 2,877 22.667,878 14.883,879 8.431,880 4.561,881 1.245,882 1.142,883 0.861,884 8.284,885 9.981,886 3.912,887 4.443,888 4.934,889 5.447,890 5.961,891 6.339,892 6.662,893 6.966,894 7.208,895 7.351,896 0.875,897 79,898 14.888,900 6.924,901 8.162,902 27.23,904 23.505,905 2.662,906 103.833,910 400.217,911 107.342,912 3.124,914 261.629,917 107.342,918 661.847,919 3.124,920 45.755,921 28.418,922 42.683,923 217.372,924 37.866,925 11.771,926 388.446,928 400.217,929 110.466,930 261.629,933 329.591,934 278.573,935 53.683,937 48.971,938 61.495,941 400.217,942 264.754,943 107.342,946 400.217,947 52.539,948 57.927,950 261.629,951 400.217,952 264.754,953 107.342,955 0.599,956 0.354,957 0.201,958 0.126,959 32,960 18,961 0.114,962 9,963 3,964 1.353,965 4.194,966 434.55,967 0.353,968 17,969 206.131,974 29.628,975 10.905,976 4.912,978 264.754,986 128.05,987 772.313,988 49,993 50.443,995 1.447,997 -2.753,999 77.28,1000 86.066,1001 0.241,1002 0.58,1003 0.861,1004 0.92,1005 0.92,1006 0.92,1007 5.268,1008 2.147,1009 6.361,1010 6.123,1011 4.875,1012 5.13,1013 3.423,1014 7.372,1015 4.822,1016 6.509,1017 1.984,1018 8.059,1019 5.751,1020 4.89,1021 5.231,1022 2.903,1023 8.897,1024 4.845,1025 7.881,1026 1.783,1027 9.878,1028 5.124,1029 6.703,1030 7.222,1031 4.661,1032 12.106,1033 6.629,1034 9.288,1035 1.617,1036 11.772,1037 4.939,1038 7.513,1039 8.093,1040 4.882,1041 14.466,1042 7.452,1043 10.734,1044 1.316,1045 13.718,1046 4.604,1047 8.935,1048 9.688,1049 6.18,1050 17.332,1051 8.858,1052 12.207,1053 1.147,1054 15.7,1055 3.488,1056 10.063,1057 10.882,1058 6.735,1059 19.97,1060 9.992,1061 13.703,1062 0.996,1063 17.709,1064 2.785,1065 11.391,1066 12.365,1067 7.822,1068 22.756,1069 11.31,1070 3.849,1071 0.661,1072 19.738,1073 2.091,1074 12.639,1075 13.704,1076 8.539,1077 25.483,1078 12.557,1079 3.575,1080 16.383,1081 21.781,1082 1.537,1083 13.952,1084 15.159,1085 9.523,1086 28.255,1087 13.862,1088 2.847,1089 14.589,1090 23.837,1091 4.407,1092 15.246,1093 16.564,1094 10.321,1095 31.012,1096 15.152,1097 2.789,1098 10.485,1099 25.901,1100 3.784,1101 16.562,1102 18.019,1103 11.255,1104 33.784,1105 16.461,1106 2.494,1107 10.001,1108 27.972,1109 3.404,1110 17.876,1111 19.457,1112 12.095,1113 36.554,1114 17.768,1115 2.303,1116 8.029,1117 30.049,1118 3.184,1119 19.197,1120 20.917,1121 13.003,1122 39.33,1123 19.082,1124 2.214,1125 7.319,1126 32.13,1127 2.898,1128 20.52,1129 22.372,1130 13.865,1131 42.107,1132 20.397,1133 17995,1134 31922,1135 25.778,1136 47.256,1137 66.178,1138 68.89,1139 71.368,1140 64.736,1141 64.709,1142 73.245,1143 19.606,1144 209.518,1145 62.722,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 28.625,1156 1.576,1157 1.64,1158 1.699,1159 1.541,1160 1.541,1161 1.744,1162 0.467,1163 4.989,1164 1.493,1165 4.128,1166 4.144,1167 4.082,1168 4.051,1169 7.475,1170 4.055,1171 3.885,1172 3.913,1173 3.813,1174 3.776,1175 7.437,1176 3.78,1177 3.734,1178 3.787,1179 3.62,1180 3.566,1181 7.431,1182 3.569,1183 3.584,1184 3.603,1185 3.502,1186 3.389,1187 7.427,1188 3.405,1189 3.517,1190 3.554,1191 3.45,1192 3.296,1193 6.46,1194 3.318,1195 3.509,1196 3.524,1197 3.409,1198 3.286,1199 6.448,1200 3.315,1201 3.331,1202 3.388,1203 3.216,1204 3.145,1205 6.351,1206 3.14,1207 3.299,1208 3.333,1209 3.155,1210 3.053,1211 4.713,1212 3.071,1213 0.12,1214 0.101,1215 0.197,1216 0.115,1217 0.092,1218 5.02,1219 0.105,1220 4.232,1221 0.058,1222 8.266,1223 0.39,1224 4.842,1225 0.091,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.78,1238 1.75,1239 1.952,1240 1.946,1241 1.272,1242 1.948,1243 1.684,1244 1.632,1245 1.897,1246 1.875,1247 1.228,1248 1.88,1249 1.585,1250 1.535,1251 1.828,1252 1.768,1253 1.186,1254 1.787,1255 1.465,1256 1.425,1257 1.697,1258 1.707,1259 0.847,1260 1.696,1261 1.428,1262 1.391,1263 1.689,1264 1.696,1265 0.799,1266 1.688,1267 1.37,1268 1.334,1269 1.643,1270 1.631,1271 0.732,1272 1.631,1273 1.22,1274 1.165,1275 1.501,1276 1.47,1277 0.671,1278 1.473,1279 4.443,1281 5.844,1282 2.398,1283 7.452,1284 4.844,1285 9.183,1286 7.034,1287 10.993,1289 7.985,1294 31.357,1295 1.714,1297 17.055,1299 -2.978,1300 1.611,1301 -2.048,1305 45.652,1306 114.267,1307 275.623,1308 409.068,1309 437.068,1310 437.068,1311 437.068,1312 171.262,1313 8.737,1314 159.9,1315 159.9,1316 23,1317 13.54,1318 3,1319 3,1320 69.668,1321 148,1322 219,1323 0.231,1324 276.047,1325 523.94,1326 665.316,1327 71935,1329 28.861,1330 0.74,1331 0.589,1332 28.861,1333 22.983,1334 18.266,1335 0.435,1336 0.314,1337 12.947,1338 17.265,1339 12.508,1340 10.268,1341 18.266,1342 13.192,1343 17.926,1344 0.276,1345 0.175,1346 17.926,1347 11.406,1348 14.704,1349 0.158,1350 0.096,1351 14.704,1352 8.907,1353 12.854,1354 0.093,1355 0.051,1356 12.854,1357 7.037,1358 11.18,1359 0.056,1360 0.026,1361 11.18,1362 5.141,1363 0.346,1364 117.173,1365 0.197,1366 33.773,1367 0.693,1368 214,1369 716.243,1370 241.766,1371 656.134,1372 853.99,1373 606,1374 265,1375 587.446,1376 291.14,1377 587.001,1378 873.15,1379 547,1380 6.714}
{0 CHEMBL272595,1 1.47,2 11.818,3 0.778,4 0.605,5 169.126,6 6.504,8 4.622,9 4.745,10 4.052,11 4.054,12 5.634,13 4.025,14 5.249,15 5.451,16 4.464,17 4.512,18 6.201,19 4.466,20 5.547,21 5.731,22 4.683,23 4.813,24 6.546,25 4.738,26 5.832,27 6.067,28 4.815,29 4.956,30 6.757,31 4.865,32 5.899,33 6.112,34 4.938,35 4.974,36 6.994,37 4.911,38 5.929,39 6.139,40 4.954,41 4.993,42 7.093,43 4.941,44 5.947,45 6.136,46 4.887,47 5.034,48 7.136,49 4.947,50 6.054,51 6.315,52 4.725,53 4.987,54 7.053,55 4.853,56 0.05,57 1.294,58 23.241,59 9.283,60 19.814,61 12.868,62 0.699,63 2.114,64 45.126,65 15.149,66 65.596,67 21.836,68 0.664,69 2.814,70 60.099,71 22.263,72 100.81,73 31.154,74 0.905,75 3.353,76 80.606,77 27.52,78 123.563,79 39.505,80 1.603,81 3.445,82 88.19,83 27.545,84 203.468,85 39.653,86 2.014,87 3.536,88 92.133,89 26.781,90 263.447,91 38.757,92 1.849,93 3.662,94 92.81,95 29.29,96 283.747,97 41.633,98 2.166,99 3.663,100 103.529,101 29.981,102 269.585,103 44.85,104 212,105 71,106 0.219,107 0.49,108 0.752,109 0.808,110 0.808,111 0.808,112 3.811,113 1.002,114 -2.15,115 -2.19,116 -2.17,119 34.7,120 3,121 5,122 1,123 2,124 5,125 5,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 13,180 3,183 15,186 1,187 12,190 1,192 7,195 15,198 4,199 16,204 4,207 14,211 3,212 18,215 4,217 3,220 13,223 4,224 18,227 3,229 4,232 12,236 6,237 15,240 1,241 1,242 5,245 9,249 6,250 11,253 2,255 2,258 2,262 2,263 14,266 3,271 4,275 4094,276 28.287,277 28.287,278 28.287,279 28.287,280 28.287,281 27.245,282 40.456,283 16.283,284 29.014,285 23.08,286 23.08,287 23.08,288 23.08,289 23.08,290 21.178,291 53.342,292 7.589,293 24.124,294 5.1,295 3.289,296 1.529,297 1.158,298 1.158,299 1.158,300 4.491,306 1076,307 5.788,310 84.155,311 254.112,314 140.353,315 281.042,318 1.789,319 75.198,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.61,330 97.5,331 520,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.17,351 3.65,352 6.696,353 3.836,354 2.855,355 3.406,356 1.148,357 10.49,358 2.805,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.006,367 2.779,368 3.73,369 3.461,370 5.947,371 3.464,372 2.526,373 2.903,374 0.8,375 8.078,376 2.364,377 3.567,378 2.901,379 5.766,380 3.314,381 2.368,382 2.73,383 0.8,384 7.353,385 2.223,386 3.458,387 2.837,388 5.362,389 3.177,390 2.223,391 2.503,392 0.8,393 6.738,394 2.118,395 3.227,396 2.607,397 5.294,398 3.14,399 2.213,400 2.246,401 0.525,402 5.903,403 2.039,404 3.223,405 2.574,406 5.086,407 3.07,408 2.157,409 2.223,411 5.178,412 1.967,413 3.143,414 2.532,415 4.657,416 2.967,417 1.993,418 2.148,420 5.129,421 1.919,422 2.921,423 2.373,424 4.641,425 2.766,426 1.785,427 1.914,428 4.939,429 1.731,430 2.656,431 2.091,432 4.624,433 2.578,434 1.617,435 1.648,436 4.605,437 1.544,438 2.511,439 1.842,440 4.282,441 2.271,442 1.317,443 1.431,445 3.488,446 1.244,447 2.438,448 1.723,449 4.123,450 2.18,451 1.207,452 1.318,454 2.816,455 1.171,456 2.207,457 1.621,458 3.826,459 2.085,460 1.138,461 1.207,463 2.515,464 1.066,465 20.367,466 0.463,467 1.598,468 0.036,469 37.5,470 0.852,471 9,472 0.205,473 28.5,474 0.648,475 70.341,476 1.599,477 53.433,478 0.562,479 41.37,480 0.94,481 7.089,482 0.161,483 13.57,484 0.308,485 0.278,486 0.049,487 0.354,493 0.811,494 1.631,495 0.921,496 1.418,497 0.704,498 1.22,499 0.941,500 0.882,501 0.872,502 0.837,503 0.562,504 0.818,505 0.88,506 1.242,507 1.022,508 1.248,509 0.77,510 1.173,511 0.873,512 1.021,513 0.864,514 1.061,515 0.887,516 0.975,517 1.09,518 1.136,519 0.919,520 1.086,521 1.08,522 0.99,523 1.366,524 0.948,525 1.054,526 0.934,527 1.433,528 0.926,529 1.283,530 1.293,531 1.269,532 1.316,533 1.45,534 1.299,535 1.169,536 0.931,537 1.052,538 0.94,539 1.259,540 0.975,541 12,542 0.453,543 6.889,544 5.354,545 5.146,546 3.67,547 2.596,548 1.59,549 1.103,550 0.779,551 25068,552 59724,553 1.931,554 53.7,555 9,556 28,557 1,559 2,560 3,561 4,562 4,564 1.834,565 1.725,566 3.442,567 0.126,573 139.623,574 1.47,575 3.281,576 5.041,577 5.412,578 5.412,579 5.412,580 2.936,581 4.743,582 5.422,583 3.704,584 3503.77,585 9.681,586 59645.7,591 624.136,592 1.777,593 5.328,594 0.255,595 0.007,596 0.097,597 0.063,598 0.054,599 0.035,600 0.024,601 0.017,602 0.014,603 0.011,604 0.579,605 0.33,606 0.63,607 1.926,608 246.816,609 -0.036,610 -0.237,611 0.051,612 -0.099,613 -0.056,614 -0.023,615 -0.011,616 0.328,617 0.128,618 0.265,619 0.076,620 0.241,621 -0.005,622 -0.044,623 -0.047,624 -0.066,625 0.016,626 -0.062,627 0.016,628 0.036,629 0.108,630 0.008,631 -0.024,632 0.068,633 0.097,634 -0.102,635 0.106,636 -0.038,637 0.052,638 0.025,639 -0.02,640 0.103,641 0.009,642 0.071,643 0.006,644 0.054,645 -0.014,646 -0.208,647 -0.227,648 -0.239,649 -0.01,650 -0.272,651 -0.025,653 -0.038,654 0.006,655 -0.057,656 -0.02,657 2.475,658 7.253,659 0.386,660 54.05,661 1.001,662 1.138,663 0.919,664 0.844,665 0.61,666 3.871,667 4.277,668 4.605,669 4.984,670 5.342,671 5.628,672 5.855,673 6.071,674 6.225,675 6.321,676 7.34,677 0.573,678 617.87,679 3.871,680 5.468,681 6.358,682 7.305,683 8.241,684 9.207,685 10.167,686 11.145,687 12.116,688 13.1,689 3.2,692 3,731 95,733 6,735 47,737 98,738 33,742 8,746 4,747 10,752 3,753 2,754 2,755 6,756 1,758 8,761 9,762 24,763 1,766 6,771 3,773 1,775 8,781 51,782 11,783 2,784 11,790 3,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 3,838 2,839 1,840 1,844 8,848 44,853 2,854 10,856 3,858 4,859 3,860 2,870 8.4,871 1,872 1,873 3,874 1,875 2,877 25.5,878 19.167,879 9.597,880 5.744,881 1.244,882 1.139,883 0.875,884 10.866,885 10.186,886 3.989,887 4.489,888 4.97,889 5.476,890 5.989,891 6.378,892 6.712,893 7.024,894 7.275,895 7.441,896 0.875,897 85,898 16.764,900 7.5,901 7.856,902 31.654,904 26.829,905 2.356,906 103.667,910 576.784,911 137.938,912 9.373,914 193.801,917 137.938,918 770.585,919 9.373,920 70.944,921 34.735,922 42.683,923 148.634,924 44.115,925 11.771,926 565.013,928 576.784,929 147.311,930 193.801,933 482.615,934 234.287,935 53.683,937 61.536,938 85.774,941 576.784,942 203.174,943 137.938,946 576.784,947 57.946,948 89.365,950 193.801,951 576.784,952 203.174,953 137.938,955 0.593,956 0.34,957 0.19,958 0.118,959 33,960 19,961 0.133,962 13,963 3,964 1.353,965 4.544,966 503.224,967 0.353,968 17,969 224.215,974 34.801,975 13.738,976 6.608,978 203.174,986 85.367,987 917.896,988 53,993 40.449,995 1.729,997 -1.048,999 95.13,1000 108.135,1001 0.224,1002 0.499,1003 0.767,1004 0.824,1005 0.824,1006 0.824,1007 5.338,1008 2.213,1009 6.431,1010 6.738,1011 4.963,1012 5.176,1013 3.179,1014 7.419,1015 4.894,1016 6.558,1017 2.157,1018 8.112,1019 5.903,1020 4.934,1021 5.231,1022 2.358,1023 8.914,1024 4.868,1025 7.916,1026 1.993,1027 9.917,1028 5.178,1029 6.76,1030 7.231,1031 4.248,1032 12.118,1033 6.665,1034 9.311,1035 1.785,1036 11.801,1037 5.129,1038 7.54,1039 8.084,1040 4.282,1041 14.471,1042 7.462,1043 10.748,1044 1.617,1045 13.738,1046 4.939,1047 8.966,1048 9.684,1049 5.714,1050 17.335,1051 8.872,1052 12.215,1053 1.317,1054 15.714,1055 4.605,1056 10.078,1057 10.875,1058 6.177,1059 19.971,1060 9.996,1061 13.707,1062 1.207,1063 17.719,1064 3.488,1065 11.405,1066 12.361,1067 7.348,1068 22.757,1069 11.314,1070 3.849,1071 1.138,1072 19.744,1073 2.816,1074 12.647,1075 13.7,1076 8.027,1077 25.483,1078 12.559,1079 3.575,1080 16.383,1081 21.786,1082 2.515,1083 13.958,1084 15.157,1085 9.063,1086 28.255,1087 13.864,1088 2.855,1089 14.589,1090 23.84,1091 4.407,1092 15.25,1093 16.563,1094 9.85,1095 31.012,1096 15.153,1097 2.789,1098 10.49,1099 25.903,1100 3.784,1101 16.565,1102 18.018,1103 10.818,1104 33.784,1105 16.461,1106 2.526,1107 10.006,1108 27.974,1109 3.406,1110 17.878,1111 19.457,1112 11.661,1113 36.554,1114 17.768,1115 2.368,1116 8.078,1117 30.05,1118 3.184,1119 19.199,1120 20.917,1121 12.594,1122 39.33,1123 19.082,1124 2.223,1125 7.353,1126 32.131,1127 2.903,1128 20.521,1129 22.372,1130 13.464,1131 42.107,1132 20.398,1133 25221,1134 39163,1135 28.956,1136 57.927,1137 73.007,1138 75.412,1139 78.49,1140 71.665,1141 71.602,1142 79.057,1143 18.124,1144 226.312,1145 68.789,1146 6.02,1147 6.181,1148 8.027,1149 5.935,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 32.63,1156 1.553,1157 1.605,1158 1.67,1159 1.525,1160 1.523,1161 1.682,1162 0.386,1163 4.815,1164 1.464,1165 4.131,1166 4.149,1167 4.084,1168 4.053,1169 7.437,1170 4.057,1171 3.89,1172 3.927,1173 3.816,1174 3.779,1175 7.431,1176 3.782,1177 3.783,1178 3.844,1179 3.657,1180 3.611,1181 7.427,1182 3.612,1183 3.67,1184 3.758,1185 3.514,1186 3.466,1187 6.46,1188 3.464,1189 3.587,1190 3.63,1191 3.5,1192 3.387,1193 6.448,1194 3.402,1195 3.528,1196 3.581,1197 3.444,1198 3.298,1199 4.715,1200 3.317,1201 3.51,1202 3.529,1203 3.401,1204 3.283,1205 4.557,1206 3.313,1207 3.37,1208 3.415,1209 3.238,1210 3.172,1211 4.443,1212 3.173,1213 0.107,1214 0.09,1215 0.176,1216 0.103,1217 0.082,1218 5.02,1219 0.094,1220 4.232,1221 0.052,1222 8.266,1223 0.349,1224 4.842,1225 0.081,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.128,1235 1.521,1236 2.121,1237 1.796,1238 1.757,1239 1.992,1240 1.982,1241 1.307,1242 1.99,1243 1.718,1244 1.661,1245 1.911,1246 1.896,1247 1.256,1248 1.901,1249 1.647,1250 1.565,1251 1.907,1252 1.888,1253 1.187,1254 1.898,1255 1.586,1256 1.535,1257 1.829,1258 1.771,1259 1.186,1260 1.789,1261 1.485,1262 1.423,1263 1.752,1264 1.74,1265 0.892,1266 1.748,1267 1.431,1268 1.392,1269 1.696,1270 1.704,1271 0.812,1272 1.692,1273 1.387,1274 1.341,1275 1.654,1276 1.649,1277 0.784,1278 1.65,1279 4.554,1281 5.938,1282 2.398,1283 7.525,1284 4.844,1285 9.236,1286 7.034,1287 11.031,1289 14.615,1294 22.842,1295 6.053,1297 17.519,1299 -2.798,1300 6.255,1301 -1.948,1305 54.426,1306 139.623,1307 311.694,1308 478.878,1309 514.097,1310 514.097,1311 514.097,1312 189.686,1313 8.942,1314 129.08,1315 129.08,1316 23,1317 13.571,1318 2.807,1319 2.807,1320 84.263,1321 187,1322 224,1323 0.22,1324 332.533,1325 617.5,1326 803.14,1327 93328,1329 32.56,1330 0.74,1331 0.628,1332 32.56,1333 27.643,1334 20.66,1335 0.44,1336 0.334,1337 15.409,1338 19.573,1339 14.739,1340 12.253,1341 20.66,1342 15.701,1343 20.011,1344 0.282,1345 0.194,1346 20.011,1347 13.778,1348 15.945,1349 0.161,1350 0.102,1351 15.945,1352 10.069,1353 13.791,1354 0.095,1355 0.054,1356 13.791,1357 7.876,1358 11.86,1359 0.057,1360 0.027,1361 11.86,1362 5.648,1363 0.333,1364 131.86,1365 0.186,1366 37.35,1367 0.649,1368 236,1369 691.648,1370 262.501,1371 639.445,1372 842.85,1373 594,1374 288,1375 584.948,1376 315.479,1377 593.326,1378 879.24,1379 548,1380 7.658}
{0 CHEMBL272816,1 1.447,2 11.595,3 1.508,4 2.275,5 160.045,6 6.542,8 4.568,9 4.687,10 4.003,11 4.018,12 5.592,13 3.987,14 5.196,15 5.389,16 4.456,17 4.485,18 6.168,19 4.443,20 5.517,21 5.692,22 4.68,23 4.8,24 6.543,25 4.732,26 5.822,27 6.052,28 4.805,29 4.958,30 6.757,31 4.864,32 5.897,33 6.112,34 4.931,35 4.977,36 6.99,37 4.911,38 5.909,39 6.107,40 4.968,41 4.993,42 7.105,43 4.943,44 5.968,45 6.161,46 4.896,47 5.028,48 7.181,49 4.951,50 6.012,51 6.249,52 4.643,53 4.984,54 7.062,55 4.836,56 0.051,57 1.212,58 21.817,59 9.107,60 20.14,61 12.316,62 0.608,63 2.019,64 42.436,65 15.023,66 66.42,67 21.189,68 0.687,69 2.77,70 58.246,71 21.583,72 101.184,73 29.94,74 0.836,75 3.355,76 79.45,77 27.925,78 127.199,79 39.641,80 1.628,81 3.449,82 87.817,83 28.069,84 210.029,85 39.862,86 1.816,87 3.523,88 89.704,89 27.395,90 261.408,91 38.771,92 2.171,93 3.664,94 95.635,95 29.108,96 323.397,97 40.907,98 1.876,99 3.651,100 98.733,101 30.429,102 273.658,103 44.255,104 226,105 71,106 0.218,107 0.504,108 0.767,109 0.839,110 0.839,111 0.839,112 3.766,113 0.993,114 -2.69,115 -2.7,116 -2.63,119 35.6,120 6,121 4,122 1,123 2,124 3,125 3,127 3,130 1,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 14,180 3,183 18,186 1,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 18,211 3,212 18,215 4,217 3,220 15,223 4,224 22,227 3,229 4,232 14,236 6,237 14,240 1,241 1,242 7,245 13,249 3,250 12,253 2,255 2,258 4,262 2,263 16,266 2,271 8,275 3480,276 26.484,277 26.484,278 26.484,279 26.484,280 26.484,281 25.441,282 38.683,283 14.826,284 27.095,285 22.071,286 22.071,287 22.071,288 22.071,289 22.071,290 20.18,291 56.36,292 6.857,293 22.954,294 5.045,295 3.15,296 1.404,297 0.931,298 0.931,299 0.931,300 4.442,305 1,306 1012,307 5.788,310 77.805,311 234.7,314 129.555,315 259.667,318 1.662,319 74.572,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 93,331 487,332 5.02,333 4.232,334 8.266,335 4.842,336 3.85,337 4.408,338 2.455,339 16.383,340 3.82,341 4.619,342 3.782,343 7.865,344 4.567,345 3.576,346 3.791,347 1.674,348 14.589,349 3.543,350 4.349,351 3.65,352 7.12,353 4.271,354 3.315,355 3.45,356 1.148,357 11.712,358 3.169,359 4.105,360 3.572,361 6.691,362 3.803,363 2.813,364 3.252,365 0.86,366 10.449,367 2.794,368 4.014,369 3.495,370 6.582,371 3.779,372 2.784,373 3.182,374 0.8,375 9.975,376 2.755,377 3.692,378 3.455,379 5.929,380 3.41,381 2.453,382 2.863,383 0.8,384 7.976,385 2.327,386 3.563,387 2.887,388 5.757,389 3.18,390 2.231,391 2.729,392 0.525,393 7.298,394 2.122,395 3.249,396 2.633,397 5.36,398 3.151,399 2.213,400 2.286,402 5.967,403 2.053,404 3.225,405 2.575,406 5.092,407 2.988,408 2.018,409 2.229,411 5.245,412 1.937,413 2.975,414 2.374,415 4.714,416 2.786,417 1.804,418 1.972,420 4.939,421 1.751,422 2.784,423 2.122,424 4.624,425 2.65,426 1.701,427 1.765,428 4.787,429 1.606,430 2.654,431 2.003,432 4.598,433 2.577,434 1.616,435 1.646,436 4.599,437 1.543,438 2.458,439 1.839,440 4.282,441 2.27,442 1.314,443 1.414,445 3.488,446 1.244,447 2.413,448 1.71,449 4.114,450 2.097,451 1.144,452 1.299,454 2.775,455 1.08,456 2.115,457 1.575,458 3.822,459 1.846,460 0.925,461 0.977,463 2.006,464 0.842,465 19.467,466 0.463,467 1.781,468 0.042,469 35.75,470 0.851,471 9,472 0.214,473 26.75,474 0.637,475 70.016,476 1.667,477 50.733,478 0.564,479 38.207,480 0.91,481 6.41,482 0.153,483 13.067,484 0.311,485 0.317,486 0.077,487 0.349,493 0.798,494 1.531,495 0.914,496 1.374,497 0.717,498 1.194,499 0.862,500 0.948,501 0.794,502 0.865,503 0.544,504 0.809,505 0.921,506 1.218,507 1.065,508 1.22,509 0.77,510 1.169,511 0.841,512 1.069,513 0.872,514 1.091,515 0.859,516 1.003,517 1.053,518 1.067,519 0.894,520 1.029,521 1.033,522 0.947,523 1.287,524 1.073,525 1.039,526 1.043,527 1.367,528 0.995,529 1.444,530 1.11,531 1.273,532 1.132,533 1.535,534 1.164,535 1.207,536 1.155,537 1.241,538 1.179,539 1.3,540 1.218,541 13,542 0.491,543 7.556,544 5.604,545 5.466,546 3.892,547 2.965,548 1.637,549 1.074,550 0.658,551 21262,552 51190,553 1.909,554 53.3,555 9,556 18,557 1,559 2,560 3,561 13,562 2,564 1.824,565 1.686,566 3.383,567 0.125,573 130.189,574 1.447,575 3.342,576 5.088,577 5.561,578 5.561,579 5.561,580 2.901,581 5.041,582 5.358,583 3.601,584 3100.52,585 9.551,586 49913.9,591 584.267,592 1.835,593 5.241,594 0.289,595 0.01,596 0.106,597 0.066,598 0.058,599 0.037,600 0.028,601 0.017,602 0.016,603 0.011,604 0.639,605 0.33,606 0.75,607 1.765,608 230.704,609 -0.038,610 -0.164,611 0.046,612 -0.065,613 -0.071,614 -0.005,615 0.033,616 0.249,617 0.193,618 0.254,619 0.093,620 0.262,621 -0.031,622 -0.001,623 -0.085,624 -0.056,625 0.002,626 -0.073,627 0.016,628 -0.012,629 0.092,630 -0.021,631 -0.029,632 0.041,633 0.099,634 -0.044,635 0.125,636 0.003,637 0.047,638 0.06,639 0.015,640 -0.013,641 0.013,642 -0.018,643 0.023,644 -0.002,645 -0.07,646 -0.058,647 -0.211,648 -0.108,649 -0.033,650 -0.177,651 -0.081,652 -0.18,653 -0.231,654 -0.19,655 -0.101,656 -0.238,657 2.481,658 7.208,659 0.405,660 45.701,661 1.002,662 1.136,663 1.457,664 2.122,665 0.613,666 3.829,667 4.277,668 4.605,669 4.977,670 5.342,671 5.631,672 5.866,673 6.064,674 6.221,675 6.314,676 6.827,677 0.576,678 588.82,679 3.829,680 5.451,681 6.351,682 7.313,683 8.256,684 9.23,685 10.193,686 11.174,687 12.147,688 13.132,689 2.2,692 2,731 90,733 6,735 45,737 93,738 32,742 8,746 4,747 10,752 6,753 2,754 2,755 6,756 1,758 7,761 9,762 23,763 2,766 6,771 3,773 1,775 8,781 48,782 10,783 2,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 1,844 9,848 42,853 2,854 7,856 3,858 4,859 2,860 3,870 8.9,871 1,872 1,873 3,874 1,875 2,877 24.917,878 18.717,879 8.931,880 5.444,881 1.225,882 1.138,883 0.865,884 9.248,885 10.089,886 3.951,887 4.489,888 4.97,889 5.481,890 5.996,891 6.402,892 6.726,893 7.034,894 7.277,895 7.461,896 0.875,897 85,898 16.02,900 7.281,901 7.891,902 30.099,904 25.871,905 2.391,906 100.417,910 541.471,911 140.875,912 6.249,914 193.801,917 140.875,918 735.272,919 6.249,920 80.627,921 27.989,922 42.683,923 148.634,924 40.991,925 11.771,926 529.7,928 541.471,929 147.123,930 193.801,933 364.904,934 316.684,935 53.683,937 78.142,938 68.982,941 541.471,942 200.05,943 140.875,946 541.471,947 51.2,948 95.923,950 193.801,951 541.471,952 200.05,953 140.875,955 0.607,956 0.351,957 0.193,958 0.12,959 35,960 20,961 0.108,962 10,963 3,964 1.353,965 4.305,966 484.284,967 0.353,968 17,969 219.722,974 32.879,975 11.813,976 5.67,978 200.05,986 85.367,987 882.395,988 51,993 40.323,995 1.705,997 -1.12,999 90.145,1000 102.221,1001 0.223,1002 0.515,1003 0.784,1004 0.857,1005 0.857,1006 0.857,1007 5.328,1008 2.213,1009 6.46,1010 7.298,1011 4.963,1012 5.176,1013 3.138,1014 7.479,1015 4.901,1016 6.581,1017 2.018,1018 8.168,1019 5.967,1020 5.056,1021 5.323,1022 2.321,1023 9.041,1024 4.996,1025 7.962,1026 1.804,1027 9.997,1028 5.245,1029 6.828,1030 7.273,1031 4.242,1032 12.211,1033 6.735,1034 9.377,1035 1.701,1036 11.898,1037 4.939,1038 7.678,1039 8.167,1040 4.278,1041 14.563,1042 7.593,1043 10.828,1044 1.616,1045 13.846,1046 4.787,1047 9.082,1048 9.743,1049 5.713,1050 17.407,1051 8.976,1052 12.305,1053 1.314,1054 15.827,1055 4.599,1056 10.219,1057 10.942,1058 6.177,1059 20.029,1060 10.115,1061 13.802,1062 1.144,1063 17.831,1064 3.488,1065 11.533,1066 12.415,1067 7.348,1068 22.801,1069 11.418,1070 3.85,1071 0.925,1072 19.853,1073 2.775,1074 12.777,1075 13.749,1076 8.027,1077 25.517,1078 12.658,1079 3.576,1080 16.383,1081 21.888,1082 2.006,1083 14.077,1084 15.198,1085 9.063,1086 28.28,1087 13.95,1088 3.315,1089 14.589,1090 23.935,1091 4.408,1092 15.362,1093 16.598,1094 9.85,1095 31.031,1096 15.23,1097 2.813,1098 11.712,1099 25.991,1100 3.791,1101 16.666,1102 18.047,1103 10.818,1104 33.798,1105 16.529,1106 2.784,1107 10.449,1108 28.053,1109 3.45,1110 17.97,1111 19.481,1112 11.661,1113 36.565,1114 17.827,1115 2.453,1116 9.975,1117 30.122,1118 3.252,1119 19.281,1120 20.936,1121 12.594,1122 39.338,1123 19.133,1124 2.231,1125 7.976,1126 32.195,1127 3.182,1128 20.595,1129 22.389,1130 13.464,1131 42.112,1132 20.441,1133 21439,1134 33471,1135 27.164,1136 55.16,1137 71.409,1138 74.206,1139 76.526,1140 69.964,1141 69.967,1142 77.419,1143 16.524,1144 230.253,1145 67.517,1146 6.02,1147 6.181,1148 8.027,1149 5.935,1150 5.85,1151 7.172,1152 4.234,1153 25.387,1154 5.82,1155 32.387,1156 1.587,1157 1.649,1158 1.701,1159 1.555,1160 1.555,1161 1.72,1162 0.367,1163 5.117,1164 1.5,1165 4.132,1166 4.149,1167 4.085,1168 4.054,1169 7.437,1170 4.058,1171 3.898,1172 3.938,1173 3.822,1174 3.784,1175 7.431,1176 3.788,1177 3.797,1178 3.847,1179 3.684,1180 3.651,1181 7.427,1182 3.65,1183 3.649,1184 3.732,1185 3.504,1186 3.459,1187 6.46,1188 3.454,1189 3.578,1190 3.595,1191 3.483,1192 3.37,1193 6.448,1194 3.387,1195 3.514,1196 3.535,1197 3.44,1198 3.291,1199 4.716,1200 3.317,1201 3.441,1202 3.479,1203 3.338,1204 3.264,1205 4.559,1206 3.28,1207 3.323,1208 3.4,1209 3.159,1210 3.142,1211 4.472,1212 3.131,1213 0.112,1214 0.094,1215 0.184,1216 0.108,1217 0.086,1218 5.02,1219 0.098,1220 4.232,1221 0.055,1222 8.266,1223 0.364,1224 4.842,1225 0.085,1226 3.85,1227 4.408,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.117,1234 2.128,1235 1.521,1236 2.122,1237 1.819,1238 1.774,1239 2.015,1240 1.994,1241 1.3,1242 2.004,1243 1.728,1244 1.684,1245 1.908,1246 1.896,1247 1.253,1248 1.899,1249 1.633,1250 1.554,1251 1.901,1252 1.855,1253 1.186,1254 1.874,1255 1.584,1256 1.533,1257 1.828,1258 1.768,1259 1.128,1260 1.787,1261 1.44,1262 1.407,1263 1.697,1264 1.705,1265 0.832,1266 1.692,1267 1.417,1268 1.376,1269 1.69,1270 1.667,1271 0.808,1272 1.668,1273 1.358,1274 1.309,1275 1.653,1276 1.598,1277 0.764,1278 1.627,1279 4.511,1281 5.927,1282 2.398,1283 7.542,1284 4.844,1285 9.271,1286 7.034,1287 11.073,1289 16.658,1294 22.777,1295 3.632,1297 17.464,1299 -2.805,1300 4.122,1301 -2.337,1305 51.878,1306 130.189,1307 300.769,1308 457.889,1309 500.453,1310 500.453,1311 500.453,1312 182.803,1313 8.864,1314 125.84,1315 125.84,1316 23,1317 13.602,1318 2.807,1319 2.807,1320 78.192,1321 166,1322 222,1323 0.232,1324 316.146,1325 589.2,1326 763.156,1327 83254,1329 31.361,1330 0.747,1331 0.633,1332 31.361,1333 26.575,1334 19.477,1335 0.433,1336 0.331,1337 14.649,1338 18.511,1339 13.916,1340 11.585,1341 19.477,1342 14.898,1343 19.883,1344 0.28,1345 0.196,1346 19.883,1347 13.949,1348 15.667,1349 0.158,1350 0.099,1351 15.667,1352 9.807,1353 13.402,1354 0.093,1355 0.053,1356 13.402,1357 7.579,1358 11.646,1359 0.056,1360 0.027,1361 11.646,1362 5.539,1363 0.347,1364 123.924,1365 0.192,1366 35.69,1367 0.697,1368 232,1369 668.003,1370 257.752,1371 618.948,1372 820.09,1373 574,1374 286,1375 578.244,1376 311.814,1377 585.687,1378 869.91,1379 542,1380 8.018}
{0 CHEMBL272897,1 1.471,2 11.575,3 0.926,4 0.857,5 150.99,6 6.676,8 4.507,9 4.622,10 3.959,11 3.953,12 5.542,13 3.929,14 5.131,15 5.32,16 4.39,17 4.415,18 6.119,19 4.376,20 5.441,21 5.617,22 4.625,23 4.716,24 6.473,25 4.654,26 5.71,27 5.923,28 4.76,29 4.867,30 6.687,31 4.791,32 5.817,33 6.023,34 4.88,35 4.892,36 6.946,37 4.838,38 5.828,39 6.024,40 4.876,41 4.894,42 7.044,43 4.85,44 5.847,45 6.036,46 4.765,47 4.904,48 7.075,49 4.82,50 5.9,51 6.159,52 4.506,53 4.802,54 6.933,55 4.66,56 0.073,57 1.135,58 20.082,59 8.424,60 18.973,61 11.294,62 0.65,63 1.879,64 39.526,65 13.92,66 64.122,67 19.45,68 0.709,69 2.524,70 53.442,71 20.021,72 100.602,73 27.44,74 0.848,75 3.038,76 70.907,77 24.974,78 119.575,79 34.942,80 1.674,81 3.171,82 81.199,83 25.583,84 205.098,85 36.034,86 1.979,87 3.196,88 83.034,89 24.693,90 264.749,91 34.649,92 1.97,93 3.244,94 84.093,95 26.217,96 292.618,97 36.572,98 1.988,99 3.11,100 89.637,101 25.903,102 265.256,103 38.302,104 174,105 66,106 0.225,107 0.519,108 0.797,109 0.873,110 0.873,111 0.873,112 3.719,113 0.991,114 -2.31,115 -2.34,116 -2.31,119 35.7,120 4,121 4,122 1,123 2,124 3,125 4,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 12,180 3,183 15,186 1,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 14,211 3,212 18,215 4,217 3,220 13,223 4,224 16,227 3,229 4,232 12,236 6,237 14,240 1,241 1,242 5,245 9,249 3,250 10,253 2,255 2,258 2,262 2,263 12,266 2,271 4,275 3136,276 25.882,277 25.882,278 25.882,279 25.882,280 25.882,281 24.84,282 35.52,283 14.688,284 26.529,285 21.024,286 21.024,287 21.024,288 21.024,289 21.024,290 19.123,291 45.325,292 6.718,293 21.914,294 4.922,295 2.999,296 1.179,297 0.682,298 0.682,299 0.682,300 4.399,305 1,306 966,307 5.339,310 72.418,311 219.769,314 120.685,315 243.326,318 1.725,319 72.84,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 89,331 463,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.169,351 3.65,352 6.696,353 3.835,354 2.853,355 3.406,356 1.148,357 10.489,358 2.805,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.006,367 2.778,368 3.728,369 3.461,370 5.946,371 3.455,372 2.515,373 2.902,374 0.8,375 8.069,376 2.358,377 3.567,378 2.898,379 5.765,380 3.286,381 2.344,382 2.73,383 0.8,384 7.344,385 2.192,386 3.435,387 2.822,388 5.361,389 3.176,390 2.214,391 2.483,392 0.525,393 6.613,394 2.115,395 3.226,396 2.6,397 5.265,398 3.094,399 2.178,400 2.24,402 5.891,403 1.99,404 3.157,405 2.545,406 5.085,407 2.968,408 1.993,409 2.165,411 5.149,412 1.923,413 2.92,414 2.373,415 4.649,416 2.765,417 1.785,418 1.913,420 4.939,421 1.731,422 2.656,423 2.091,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.502,431 1.842,432 4.282,433 2.271,434 1.316,435 1.427,436 3.488,437 1.244,438 2.436,439 1.722,440 4.122,441 2.112,442 1.15,443 1.31,445 2.794,446 1.1,447 2.117,448 1.616,449 3.824,450 1.993,451 1.058,452 1.074,454 2.187,455 0.978,456 2.065,457 1.247,458 3.764,459 1.677,460 0.724,461 0.881,463 1.6,464 0.674,465 18.467,466 0.462,467 1.454,468 0.036,469 34.75,470 0.869,471 9,472 0.225,473 25.75,474 0.644,475 61.864,476 1.547,477 48.133,478 0.573,479 36.698,480 0.917,481 6.451,482 0.161,483 12.353,484 0.309,485 0.28,486 0.054,487 0.368,493 0.801,494 1.532,495 0.891,496 1.366,497 0.703,498 1.176,499 0.882,500 0.916,501 0.829,502 0.868,503 0.558,504 0.825,505 0.883,506 1.171,507 0.974,508 1.169,509 0.761,510 1.098,511 0.894,512 1.105,513 0.898,514 1.129,515 0.907,516 1.032,517 1.084,518 1.096,519 0.915,520 1.056,521 1.058,522 0.968,523 1.349,524 1.003,525 1.08,526 0.99,527 1.427,528 0.976,529 1.303,530 1.225,531 1.283,532 1.258,533 1.441,534 1.27,535 1.167,536 0.974,537 1.098,538 0.982,539 1.241,540 1.026,541 11,542 0.325,543 6.667,544 5.229,545 5.146,546 3.559,547 2.514,548 1.387,549 0.861,550 0.538,551 19012,552 47564,553 1.938,554 52.4,555 9,556 20,557 1,559 2,560 3,561 7,562 2,564 1.811,565 1.727,566 3.374,567 0.149,573 123.533,574 1.471,575 3.393,576 5.213,577 5.71,578 5.71,579 5.71,580 2.918,581 5.022,582 5.283,583 3.594,584 2803.19,585 9.402,586 43702.2,591 536.955,592 1.788,593 5.187,594 0.256,595 0.008,596 0.101,597 0.065,598 0.057,599 0.036,600 0.026,601 0.017,602 0.014,603 0.011,604 0.591,605 0.33,606 0.75,607 1.799,608 216.89,609 -0.044,610 -0.175,611 0.046,612 -0.069,613 -0.061,614 -0.005,615 0.011,616 0.278,617 0.146,618 0.243,619 0.077,620 0.234,621 -0.008,622 0.009,623 -0.013,624 -0.012,625 0.018,626 -0.01,627 -0.004,628 -0.029,629 0.067,630 -0.045,631 -0.043,632 0.016,633 0.084,634 -0.074,635 0.103,636 -0.025,637 0.039,638 0.033,639 -0.025,640 0.041,641 -0.028,642 0.015,643 -0.01,644 -0.001,645 -0.033,646 -0.177,647 -0.249,648 -0.22,649 -0.022,650 -0.274,651 -0.053,652 -0.063,653 -0.088,654 -0.049,655 -0.072,656 -0.075,657 2.457,658 7.081,659 0.425,660 44.52,661 1.004,662 1.136,663 1.079,664 1.164,665 0.615,666 3.784,667 4.205,668 4.564,669 4.949,670 5.313,671 5.595,672 5.82,673 6.026,674 6.172,675 6.254,676 6.732,677 0.581,678 560.76,679 3.784,680 5.389,681 6.293,682 7.249,683 8.197,684 9.17,685 10.136,686 11.119,687 12.095,688 13.082,689 2.4,692 2,731 84,733 6,735 43,737 87,738 30,742 8,746 4,747 10,752 4,753 2,754 2,755 6,756 1,758 7,761 9,762 21,763 1,766 6,771 3,773 1,775 8,781 44,782 10,783 2,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 1,844 7,848 40,853 2,854 8,856 3,858 4,859 2,860 2,870 9.5,871 1,872 1,873 3,874 1,875 2,877 23.167,878 16.967,879 8.764,880 5.244,881 1.201,882 1.137,883 0.874,884 9.038,885 9.981,886 3.912,887 4.431,888 4.942,889 5.455,890 5.971,891 6.358,892 6.682,893 6.987,894 7.225,895 7.382,896 0.875,897 81,898 15.255,900 6.927,901 7.917,902 28.607,904 24.496,905 2.417,906 96.667,910 494.386,911 125.33,912 6.249,914 193.801,917 125.33,918 688.187,919 6.249,920 62.977,921 30.095,922 42.683,923 148.634,924 40.991,925 11.771,926 482.615,928 494.386,929 131.579,930 193.801,933 388.446,934 246.058,935 53.683,937 62.597,938 68.982,941 494.386,942 200.05,943 125.33,946 494.386,947 53.306,948 78.273,950 193.801,951 494.386,952 200.05,953 125.33,955 0.595,956 0.356,957 0.202,958 0.125,959 32,960 18,961 0.115,962 10,963 3,964 1.353,965 4.247,966 449.692,967 0.353,968 17,969 210.877,974 30.922,975 11.691,976 5.236,978 200.05,986 85.367,987 819.766,988 49,993 39.913,995 1.677,997 -1.068,999 84.378,1000 95.391,1001 0.23,1002 0.531,1003 0.816,1004 0.893,1005 0.893,1006 0.893,1007 5.268,1008 2.178,1009 6.375,1010 6.613,1011 4.89,1012 5.118,1013 3.138,1014 7.383,1015 4.827,1016 6.5,1017 1.993,1018 8.071,1019 5.891,1020 4.89,1021 5.198,1022 2.321,1023 8.904,1024 4.834,1025 7.869,1026 1.785,1027 9.888,1028 5.149,1029 6.715,1030 7.203,1031 4.242,1032 12.111,1033 6.628,1034 9.274,1035 1.617,1036 11.781,1037 4.939,1038 7.518,1039 8.071,1040 4.278,1041 14.469,1042 7.448,1043 10.72,1044 1.316,1045 13.725,1046 4.604,1047 8.943,1048 9.674,1049 5.713,1050 17.334,1051 8.856,1052 12.195,1053 1.15,1054 15.706,1055 3.488,1056 10.068,1057 10.87,1058 6.177,1059 19.971,1060 9.99,1061 13.692,1062 1.058,1063 17.713,1064 2.794,1065 11.395,1066 12.358,1067 7.348,1068 22.757,1069 11.309,1070 3.849,1071 0.724,1072 19.741,1073 2.187,1074 12.643,1075 13.698,1076 8.027,1077 25.483,1078 12.557,1079 3.575,1080 16.383,1081 21.784,1082 1.6,1083 13.954,1084 15.156,1085 9.063,1086 28.255,1087 13.862,1088 2.853,1089 14.589,1090 23.839,1091 4.407,1092 15.248,1093 16.562,1094 9.85,1095 31.012,1096 15.152,1097 2.789,1098 10.489,1099 25.902,1100 3.784,1101 16.564,1102 18.018,1103 10.818,1104 33.784,1105 16.461,1106 2.515,1107 10.006,1108 27.973,1109 3.406,1110 17.877,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.344,1116 8.069,1117 30.05,1118 3.184,1119 19.198,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.214,1125 7.344,1126 32.131,1127 2.902,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 19135,1134 30427,1135 26.471,1136 51.637,1137 67.046,1138 69.528,1139 73.013,1140 65.846,1141 65.816,1142 73.273,1143 16.524,1144 212.304,1145 63.414,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 29.15,1156 1.559,1157 1.617,1158 1.698,1159 1.531,1160 1.531,1161 1.704,1162 0.384,1163 4.937,1164 1.475,1165 4.13,1166 4.146,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.887,1172 3.919,1173 3.814,1174 3.777,1175 7.431,1176 3.781,1177 3.757,1178 3.824,1179 3.628,1180 3.58,1181 7.427,1182 3.582,1183 3.601,1184 3.672,1185 3.501,1186 3.405,1187 6.46,1188 3.415,1189 3.559,1190 3.589,1191 3.451,1192 3.321,1193 6.448,1194 3.339,1195 3.513,1196 3.532,1197 3.422,1198 3.289,1199 4.714,1200 3.317,1201 3.388,1202 3.424,1203 3.268,1204 3.209,1205 4.556,1206 3.212,1207 3.309,1208 3.378,1209 3.157,1210 3.132,1211 4.442,1212 3.121,1213 0.117,1214 0.098,1215 0.192,1216 0.113,1217 0.09,1218 5.02,1219 0.102,1220 4.232,1221 0.057,1222 8.266,1223 0.381,1224 4.842,1225 0.089,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.127,1235 1.521,1236 2.121,1237 1.787,1238 1.753,1239 1.977,1240 1.966,1241 1.282,1242 1.973,1243 1.704,1244 1.64,1245 1.908,1246 1.895,1247 1.246,1248 1.899,1249 1.589,1250 1.536,1251 1.837,1252 1.798,1253 1.186,1254 1.814,1255 1.544,1256 1.467,1257 1.821,1258 1.765,1259 1.013,1260 1.783,1261 1.433,1262 1.4,1263 1.696,1264 1.704,1265 0.817,1266 1.692,1267 1.398,1268 1.357,1269 1.667,1270 1.655,1271 0.8,1272 1.655,1273 1.316,1274 1.268,1275 1.653,1276 1.548,1277 0.763,1278 1.594,1279 4.466,1281 5.861,1282 2.398,1283 7.467,1284 4.844,1285 9.196,1286 7.034,1287 11.004,1289 12.506,1294 22.598,1295 4.338,1297 17.329,1299 -2.76,1300 4.053,1301 -1.921,1305 48.824,1306 123.533,1307 285.03,1308 437.896,1309 479.67,1310 479.67,1311 479.67,1312 165.028,1313 8.781,1314 125.84,1315 125.84,1316 23,1317 13.551,1318 2.807,1319 2.807,1320 72.451,1321 154,1322 220,1323 0.231,1324 296.961,1325 554.6,1326 716.346,1327 75706,1329 29.568,1330 0.739,1331 0.62,1332 29.568,1333 24.782,1334 18.804,1335 0.437,1336 0.33,1337 13.946,1338 17.83,1339 13.375,1340 11.074,1341 18.804,1342 14.198,1343 18.095,1344 0.274,1345 0.185,1346 18.095,1347 12.214,1348 15.128,1349 0.159,1350 0.099,1351 15.128,1352 9.425,1353 13.085,1354 0.093,1355 0.053,1356 13.085,1357 7.359,1358 11.371,1359 0.056,1360 0.026,1361 11.371,1362 5.35,1363 0.346,1364 119.944,1365 0.194,1366 34.428,1367 0.693,1368 218,1369 654.003,1370 243.086,1371 602.586,1372 797.05,1373 560,1374 270,1375 557.54,1376 295.481,1377 561.457,1378 838.05,1379 522,1380 7.921}
{0 CHEMBL272898,1 1.484,2 10.769,3 0.863,4 0.745,5 146.124,6 6.75,8 4.474,9 4.588,10 3.937,11 3.918,12 5.521,13 3.898,14 5.097,15 5.284,16 4.373,17 4.382,18 6.099,19 4.349,20 5.404,21 5.574,22 4.612,23 4.689,24 6.454,25 4.633,26 5.681,27 5.889,28 4.751,29 4.841,30 6.671,31 4.769,32 5.798,33 6.006,34 4.873,35 4.864,36 6.937,37 4.82,38 5.786,39 5.963,40 4.863,41 4.88,42 7.032,43 4.838,44 5.853,45 6.052,46 4.747,47 4.883,48 7.075,49 4.794,50 5.862,51 6.121,52 4.5,53 4.75,54 6.912,55 4.619,56 0.085,57 1.097,58 19.204,59 8.083,60 19.691,61 10.78,62 0.668,63 1.817,64 38.052,65 13.345,66 65.364,67 18.564,68 0.746,69 2.446,70 51.197,71 19.426,72 101.421,73 26.285,74 0.822,75 2.96,76 68.587,77 24.189,78 122.488,79 33.837,80 1.81,81 3.102,82 79.927,83 24.393,84 210.056,85 34.442,86 1.906,87 3.108,88 78.89,89 24.41,90 262.914,91 33.513,92 2.137,93 3.202,94 84.745,95 26.13,96 303.026,97 36.629,98 1.926,99 2.981,100 86.684,101 24.522,102 262.206,103 36.478,104 173,105 65,106 0.229,107 0.529,108 0.804,109 0.871,110 0.871,111 0.871,112 3.694,113 0.978,114 -2.12,115 -2.16,116 -2.14,119 35.8,120 4,121 3,122 1,123 2,124 3,125 4,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 10,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 12,211 3,212 20,215 4,217 3,220 12,223 4,224 13,227 3,229 4,232 11,236 8,237 14,240 1,241 1,242 4,245 7,249 1,250 10,253 3,255 2,258 1,262 3,263 9,266 1,271 2,275 2860,276 25.174,277 25.174,278 25.174,279 25.174,280 25.174,281 24.132,282 33.476,283 14.201,284 25.823,285 20.524,286 20.524,287 20.524,288 20.524,289 20.524,290 18.623,291 41.789,292 6.488,293 21.412,294 4.856,295 2.903,296 1.118,297 0.683,298 0.683,299 0.683,300 4.374,305 1,306 875,307 5.244,310 69.315,311 210.402,314 115.432,315 233.02,318 1.633,319 72.344,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.83,330 87,331 420,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.17,351 3.65,352 6.696,353 3.835,354 2.854,355 3.406,356 1.148,357 10.489,358 2.805,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.006,367 2.778,368 3.728,369 3.461,370 5.946,371 3.459,372 2.522,373 2.902,374 0.8,375 8.07,376 2.359,377 3.567,378 2.901,379 5.765,380 3.305,381 2.365,382 2.73,383 0.8,384 7.345,385 2.205,386 3.452,387 2.84,388 5.361,389 3.177,390 2.212,391 2.497,392 0.525,393 6.648,394 2.116,395 3.22,396 2.611,397 5.277,398 3.024,399 2.105,400 2.241,402 5.899,403 1.943,404 3.1,405 2.484,406 5.085,407 2.952,408 1.985,409 2.104,411 5.023,412 1.888,413 2.913,414 2.372,415 4.624,416 2.763,417 1.783,418 1.906,420 4.939,421 1.728,422 2.656,423 2.09,424 4.607,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.483,431 1.841,432 4.282,433 2.269,434 1.313,435 1.421,436 3.488,437 1.243,438 2.43,439 1.72,440 4.12,441 2.038,442 1.112,443 1.283,445 2.739,446 1.016,447 2.112,448 1.606,449 3.823,450 1.685,451 0.737,452 0.898,454 1.662,455 0.684,456 1.835,457 1.236,458 3.755,459 1.636,460 0.672,461 0.675,463 1.262,464 0.645,465 17.967,466 0.461,467 1.454,468 0.037,469 34.25,470 0.878,471 9,472 0.231,473 25.25,474 0.647,475 59.511,476 1.526,477 46.833,478 0.578,479 36.403,480 0.933,481 6.445,482 0.165,483 11.859,484 0.304,485 0.288,486 0.056,487 0.378,493 0.802,494 1.533,495 0.878,496 1.361,497 0.704,498 1.167,499 0.886,500 0.896,501 0.814,502 0.845,503 0.56,504 0.8,505 0.882,506 1.141,507 0.978,508 1.169,509 0.767,510 1.102,511 0.883,512 1.187,513 0.89,514 1.171,515 0.903,516 1.055,517 1.118,518 0.994,519 0.909,520 0.967,521 1.053,522 0.9,523 1.343,524 1.115,525 1.14,526 1.113,527 1.454,528 1.087,529 1.218,530 1.172,531 1.223,532 1.208,533 1.378,534 1.222,535 1.149,536 0.992,537 1.056,538 0.977,539 1.199,540 0.998,541 11,542 0.296,543 6.667,544 5.104,545 5.306,546 3.504,547 2.433,548 1.45,549 0.848,550 0.503,551 17333,552 44597,553 1.937,554 51.9,555 9,556 20,557 1,559 2,560 3,561 7,564 1.807,565 1.721,566 3.303,567 0.162,573 120.169,574 1.484,575 3.437,576 5.222,577 5.657,578 5.657,579 5.657,580 2.864,581 4.824,582 5.25,583 3.504,584 2596.14,585 9.339,586 39578.3,591 513.528,592 1.789,593 5.147,594 0.262,595 0.009,596 0.103,597 0.064,598 0.06,599 0.036,600 0.026,601 0.018,602 0.014,603 0.01,604 0.601,605 0.33,606 0.75,607 1.687,608 208.915,609 -0.048,610 -0.18,611 0.046,612 -0.072,613 -0.065,614 -0.006,615 0.007,616 0.297,617 0.155,618 0.262,619 0.075,620 0.253,621 -0.007,622 0.046,623 -0.025,624 -0.007,625 0.013,626 -0.015,627 -0.006,628 -0.112,629 0.068,630 -0.08,631 -0.044,632 -0.004,633 0.059,634 0.029,635 0.113,636 0.041,637 0.034,638 0.085,639 -0.033,640 -0.052,641 -0.098,642 -0.073,643 -0.03,644 -0.095,645 0.006,646 -0.154,647 -0.199,648 -0.189,649 -0.012,650 -0.236,651 -0.049,652 -0.088,653 -0.045,654 -0.05,655 -0.049,656 -0.05,657 2.459,658 7.048,659 0.436,660 40.974,661 1.006,662 1.136,663 0.886,664 0.785,665 0.616,666 3.761,667 4.19,668 4.554,669 4.942,670 5.313,671 5.587,672 5.814,673 6.026,674 6.168,675 6.246,676 6.419,677 0.584,678 546.73,679 3.761,680 5.371,681 6.279,682 7.238,683 8.188,684 9.163,685 10.132,686 11.115,687 12.093,688 13.08,689 2.5,692 2,731 81,733 6,735 42,737 84,738 29,742 8,746 4,747 10,752 4,753 2,754 2,755 6,756 1,758 6,761 9,762 20,763 1,766 6,771 3,773 1,775 8,781 42,782 10,783 2,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 1,844 7,848 39,853 2,854 7,856 3,858 4,859 2,860 2,870 9.9,871 1,872 1,873 3,874 1,875 2,877 22.667,878 16.467,879 8.514,880 4.994,881 1.186,882 1.136,883 0.873,884 8.519,885 9.923,886 3.892,887 4.419,888 4.934,889 5.451,890 5.971,891 6.356,892 6.68,893 6.99,894 7.22,895 7.378,896 1,897 80,898 14.873,900 6.782,901 7.94,902 27.79,904 23.829,905 2.44,906 95.167,910 470.844,911 122.796,912 6.249,914 193.801,917 122.796,918 664.645,919 6.249,920 62.977,921 27.561,922 42.683,923 148.634,924 40.991,925 11.771,926 459.073,928 470.844,929 129.044,930 193.801,933 388.446,934 222.516,935 53.683,937 60.063,938 68.982,941 470.844,942 200.05,943 122.796,946 470.844,947 50.772,948 78.273,950 193.801,951 470.844,952 200.05,953 122.796,955 0.598,956 0.359,957 0.204,958 0.13,959 32,960 18,961 0.107,962 9,963 3,964 1.353,965 4.146,966 438.57,967 0.353,968 17,969 204.131,974 29.945,975 11.096,976 4.909,978 200.05,986 85.367,987 793.689,988 48,993 39.812,995 1.657,997 -1.111,999 81.494,1000 91.976,1001 0.234,1002 0.542,1003 0.824,1004 0.892,1005 0.892,1006 0.892,1007 5.252,1008 2.105,1009 6.365,1010 6.648,1011 4.875,1012 5.106,1013 3.138,1014 7.378,1015 4.811,1016 6.489,1017 1.985,1018 8.064,1019 5.899,1020 4.89,1021 5.198,1022 2.321,1023 8.904,1024 4.834,1025 7.861,1026 1.783,1027 9.884,1028 5.023,1029 6.708,1030 7.198,1031 4.242,1032 12.111,1033 6.62,1034 9.269,1035 1.617,1036 11.779,1037 4.939,1038 7.518,1039 8.071,1040 4.278,1041 14.469,1042 7.448,1043 10.717,1044 1.313,1045 13.724,1046 4.604,1047 8.941,1048 9.672,1049 5.713,1050 17.334,1051 8.853,1052 12.193,1053 1.112,1054 15.705,1055 3.488,1056 10.068,1057 10.87,1058 6.177,1059 19.971,1060 9.99,1061 13.691,1062 0.737,1063 17.713,1064 2.739,1065 11.395,1066 12.357,1067 7.348,1068 22.757,1069 11.308,1070 3.849,1071 0.672,1072 19.741,1073 1.662,1074 12.643,1075 13.698,1076 8.027,1077 25.483,1078 12.557,1079 3.575,1080 16.383,1081 21.784,1082 1.262,1083 13.954,1084 15.156,1085 9.063,1086 28.255,1087 13.862,1088 2.854,1089 14.589,1090 23.839,1091 4.407,1092 15.248,1093 16.562,1094 9.85,1095 31.012,1096 15.152,1097 2.789,1098 10.489,1099 25.902,1100 3.784,1101 16.564,1102 18.018,1103 10.818,1104 33.784,1105 16.461,1106 2.522,1107 10.006,1108 27.973,1109 3.406,1110 17.877,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.365,1116 8.07,1117 30.05,1118 3.184,1119 19.198,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.212,1125 7.345,1126 32.131,1127 2.902,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 17468,1134 28146,1135 25.778,1136 49.875,1137 65.809,1138 68.276,1139 71.745,1140 64.59,1141 64.583,1142 72.044,1143 16.524,1144 209.904,1145 62.175,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 28.538,1156 1.567,1157 1.626,1158 1.708,1159 1.538,1160 1.538,1161 1.715,1162 0.393,1163 4.998,1164 1.48,1165 4.129,1166 4.146,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.887,1172 3.918,1173 3.814,1174 3.777,1175 7.431,1176 3.781,1177 3.739,1178 3.81,1179 3.618,1180 3.549,1181 7.427,1182 3.556,1183 3.583,1184 3.632,1185 3.494,1186 3.371,1187 6.46,1188 3.387,1189 3.533,1190 3.585,1191 3.441,1192 3.303,1193 6.448,1194 3.317,1195 3.513,1196 3.531,1197 3.392,1198 3.288,1199 4.714,1200 3.315,1201 3.384,1202 3.424,1203 3.247,1204 3.204,1205 4.557,1206 3.201,1207 3.309,1208 3.365,1209 3.157,1210 3.132,1211 4.446,1212 3.121,1213 0.12,1214 0.101,1215 0.197,1216 0.115,1217 0.092,1218 5.02,1219 0.105,1220 4.232,1221 0.058,1222 8.266,1223 0.39,1224 4.842,1225 0.091,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.783,1238 1.751,1239 1.955,1240 1.96,1241 1.27,1242 1.962,1243 1.679,1244 1.611,1245 1.898,1246 1.886,1247 1.193,1248 1.889,1249 1.584,1250 1.531,1251 1.829,1252 1.773,1253 1.177,1254 1.792,1255 1.508,1256 1.429,1257 1.805,1258 1.755,1259 0.965,1260 1.774,1261 1.433,1262 1.398,1263 1.696,1264 1.704,1265 0.816,1266 1.692,1267 1.397,1268 1.355,1269 1.657,1270 1.654,1271 0.768,1272 1.655,1273 1.31,1274 1.268,1275 1.588,1276 1.517,1277 0.708,1278 1.538,1279 4.443,1281 5.844,1282 2.398,1283 7.455,1284 4.844,1285 9.189,1286 7.034,1287 11,1289 12.397,1294 22.549,1295 3.296,1297 17.287,1299 -2.764,1300 3.965,1301 -1.923,1305 47.297,1306 120.169,1307 278.378,1308 422.959,1309 458.244,1310 458.244,1311 458.244,1312 158.854,1313 8.737,1314 125.84,1315 125.84,1316 23,1317 13.548,1318 2.807,1319 2.807,1320 69.503,1321 144,1322 192,1323 0.238,1324 287.369,1325 537.3,1326 692.94,1327 70847,1329 28.861,1330 0.74,1331 0.617,1332 28.861,1333 24.075,1334 18.304,1335 0.436,1336 0.326,1337 13.446,1338 17.331,1339 12.885,1340 10.658,1341 18.304,1342 13.698,1343 17.741,1344 0.273,1345 0.182,1346 17.741,1347 11.86,1348 14.887,1349 0.158,1350 0.098,1351 14.887,1352 9.208,1353 12.839,1354 0.092,1355 0.051,1356 12.839,1357 7.097,1358 11.398,1359 0.056,1360 0.026,1361 11.398,1362 5.317,1363 0.354,1364 116.944,1365 0.197,1366 33.538,1367 0.725,1368 214,1369 650.003,1370 239.086,1371 598.425,1372 791.29,1373 556,1374 266,1375 553.54,1376 291.508,1377 557.299,1378 832.38,1379 518,1380 8.301}
{0 CHEMBL273038,1 1.49,2 12.341,3 0.703,4 0.495,5 146.507,6 7.171,8 4.482,9 4.579,10 3.998,11 3.945,12 5.565,13 3.94,14 5.112,15 5.271,16 4.449,17 4.427,18 6.177,19 4.404,20 5.445,21 5.608,22 4.684,23 4.723,24 6.526,25 4.679,26 5.692,27 5.88,28 4.791,29 4.846,30 6.753,31 4.793,32 5.785,33 5.976,34 4.882,35 4.857,36 6.967,37 4.82,38 5.773,39 5.953,40 4.859,41 4.854,42 7.022,43 4.817,44 5.8,45 5.989,46 4.743,47 4.836,48 7.044,49 4.766,50 5.793,51 6.037,52 4.499,53 4.709,54 6.873,55 4.597,56 0.161,57 1.07,58 17.781,59 8.303,60 25.949,61 10.306,62 0.865,63 1.826,64 36.969,65 14.194,66 91.002,67 18.484,68 0.951,69 2.508,70 51.364,71 20.106,72 129.937,73 26.286,74 1.303,75 2.972,76 68.472,77 24.243,78 181.827,79 32.324,80 2.225,81 3.076,82 77.94,83 24.854,84 255.495,85 33.364,86 2.198,87 3.065,88 76.526,89 24.291,90 295.481,91 32.289,92 2.333,93 3.091,94 79.232,95 24.893,96 328.04,97 33.552,98 2.168,99 2.887,100 81.95,101 23.865,102 288.839,103 34.029,104 140,105 70,106 0.229,107 0.536,108 0.801,109 0.872,110 0.872,111 0.872,112 3.742,113 0.947,114 -2.32,115 -2.35,116 -2.31,119 37.5,120 3,121 5,122 2,123 2,124 2,125 3,127 3,136 4,137 1,138 1,156 1,158 3,172 13,174 3,175 13,180 3,183 16,186 1,187 17,190 1,192 7,195 15,198 2,199 16,204 4,207 13,211 5,212 18,215 4,217 3,220 14,223 4,224 14,227 3,229 4,232 13,236 6,237 17,240 1,241 1,242 5,245 10,249 1,250 11,253 2,255 3,258 4,262 6,263 13,266 1,271 5,275 3336,276 26.829,277 26.829,278 26.829,279 26.829,280 26.829,281 25.657,282 35.952,283 15.007,284 27.482,285 21.985,286 21.985,287 21.985,288 21.985,289 21.985,290 19.789,291 45.63,292 6.839,293 22.797,294 4.832,295 2.831,296 1.112,297 0.647,298 0.647,299 0.647,300 4.434,306 1082,307 4.848,310 74.057,311 329.086,314 123.519,315 247.931,318 1.83,319 85.218,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 92.5,331 506,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.79,343 7.865,344 4.567,345 3.575,346 3.784,347 2.443,348 14.589,349 3.543,350 4.172,351 3.78,352 6.696,353 3.856,354 2.877,355 3.407,356 1.674,357 10.49,358 2.817,359 4.015,360 3.65,361 6.588,362 3.792,363 2.794,364 3.184,365 1.148,366 10.006,367 2.786,368 3.949,369 3.56,370 6.024,371 3.765,372 2.774,373 3.101,374 0.86,375 8.549,376 2.739,377 3.722,378 3.461,379 5.943,380 3.439,381 2.491,382 2.899,383 0.8,384 8.058,385 2.347,386 3.566,387 2.902,388 5.765,389 3.23,390 2.287,391 2.73,392 0.525,393 7.344,394 2.146,395 3.419,396 2.841,397 5.361,398 3.168,399 2.206,400 2.476,401 0.286,402 6.655,403 2.097,404 3.189,405 2.596,406 5.273,407 2.971,408 1.995,409 2.21,411 5.897,412 1.927,413 2.931,414 2.373,415 5.085,416 2.767,417 1.786,418 1.924,420 4.939,421 1.733,422 2.673,423 2.102,424 4.624,425 2.578,426 1.617,427 1.651,428 4.605,429 1.544,430 2.648,431 2.014,432 4.282,433 2.405,434 1.45,435 1.606,436 3.567,437 1.365,438 2.452,439 1.84,440 4.158,441 2.265,442 1.305,443 1.405,445 3.488,446 1.24,447 2.368,448 1.714,449 4.091,450 2.013,451 1.096,452 1.231,454 2.695,455 0.991,456 2.11,457 1.584,458 3.821,459 1.984,460 1,461 1,463 2.275,464 0.983,465 18.733,466 0.457,467 1.468,468 0.036,469 37.25,470 0.909,471 10.5,472 0.256,473 26.75,474 0.652,475 61.088,476 1.49,477 48.467,478 0.606,479 39.282,480 0.958,481 6.867,482 0.167,483 12.509,484 0.305,485 0.24,486 0.053,487 0.395,493 0.776,494 1.394,495 0.807,496 1.292,497 0.658,498 1.093,499 0.808,500 0.954,501 0.797,502 0.909,503 0.542,504 0.852,505 0.83,506 1.171,507 0.93,508 1.156,509 0.736,510 1.08,511 0.988,512 1.157,513 0.976,514 1.147,515 1.012,516 1.074,517 1.058,518 1.024,519 0.951,520 1.002,521 1.026,522 0.959,523 1.163,524 1.075,525 1.065,526 1.056,527 1.239,528 1.037,529 1.148,530 1.134,531 1.203,532 1.156,533 1.239,534 1.187,535 1.091,536 0.978,537 1.076,538 0.975,539 1.118,540 1.015,541 11,542 0.383,543 7.333,544 5.229,545 5.328,546 3.552,547 2.43,548 1.396,549 0.848,550 0.529,551 21844,552 62735,553 1.992,554 48.8,555 9,556 15,557 1,559 2,560 4,561 8,564 1.815,565 1.783,566 3.447,567 0.161,573 119.198,574 1.49,575 3.491,576 5.21,577 5.675,578 5.675,579 5.675,580 3.006,581 5.028,582 5.32,583 3.668,584 3007.53,585 9.462,586 47593,591 505.754,592 1.778,593 5.233,594 0.244,595 0.009,596 0.105,597 0.061,598 0.058,599 0.036,600 0.026,601 0.017,602 0.014,603 0.01,604 0.58,605 0.33,606 0.63,607 1.192,608 224.562,609 -0.055,610 -0.098,611 0.045,612 -0.038,613 -0.046,614 0.018,615 0.038,616 0.211,617 0.123,618 0.21,619 0.079,620 0.195,621 -0.022,622 -0.025,623 -0.02,624 -0.03,625 0.007,626 -0.024,627 -0.079,628 -0.095,629 -0.027,630 -0.086,631 -0.1,632 -0.051,633 0.032,634 -0.012,635 0.047,636 0.003,637 -0.012,638 0.022,639 -0.035,640 -0.041,641 -0.066,642 -0.047,643 -0.036,644 -0.061,645 -0.045,646 -0.116,647 -0.205,648 -0.158,649 -0.039,650 -0.214,651 -0.078,652 -0.055,653 -0.066,654 -0.04,655 -0.074,656 -0.049,657 2.512,658 7.076,659 0.561,660 45.843,661 1.015,662 1.131,663 1.087,664 1.182,665 0.625,666 3.829,667 4.263,668 4.644,669 5.017,670 5.38,671 5.645,672 5.878,673 6.096,674 6.263,675 6.377,676 6.982,677 0.602,678 573.7,679 3.829,680 5.442,681 6.358,682 7.314,683 8.264,684 9.234,685 10.199,686 11.176,687 12.149,688 13.132,689 1.3,692 1,731 80,733 7,735 45,737 84,738 30,742 8,746 5,747 11,752 3,753 2,754 2,755 8,756 2,758 8,761 10,762 20,763 2,766 7,771 4,773 1,775 9,781 39,782 11,783 2,784 11,790 1,794 0.4,795 10,797 1,811 1,812 4,815 1,816 2,824 1,829 3,831 1,832 4,836 1,838 2,839 1,840 2,844 5,848 41,853 2,854 8,856 4,858 5,859 1,860 2,870 12.5,871 1,872 1,873 4,874 1,875 3,877 23,878 15.683,879 8.875,880 4.911,881 1.364,882 1.149,883 0.882,884 8.117,885 10.498,886 3.97,887 4.5,888 5.017,889 5.505,890 6.014,891 6.397,892 6.736,893 7.06,894 7.332,895 7.518,896 1,897 86,898 15.675,900 7.341,901 8.041,902 29.039,904 25.511,905 2.541,906 104.167,910 435.531,911 118.215,912 3.124,914 229.946,917 118.215,918 665.477,919 3.124,920 48.242,921 30.524,922 42.683,923 180.97,924 48.866,925 11.771,926 423.76,928 435.531,929 121.34,930 229.946,933 341.362,934 270.432,935 53.683,937 51.076,938 70.263,941 435.531,942 233.07,943 118.215,946 435.531,947 60.926,948 60.413,950 229.946,951 435.531,952 233.07,953 118.215,955 0.601,956 0.372,957 0.208,958 0.126,959 36,960 19,961 0.083,962 7,963 3,964 1.261,965 4.386,966 475.029,967 0.261,968 23,969 215.66,974 30.118,975 11.05,976 4.723,978 233.07,986 85.367,987 786.816,988 52,993 51.907,995 1.592,997 -1.742,999 81.163,1000 90.481,1001 0.236,1002 0.552,1003 0.824,1004 0.898,1005 0.898,1006 0.898,1007 5.333,1008 2.206,1009 6.438,1010 7.344,1011 4.949,1012 5.187,1013 3.47,1014 7.445,1015 4.893,1016 6.565,1017 1.995,1018 8.133,1019 6.655,1020 4.934,1021 5.263,1022 2.903,1023 8.943,1024 4.891,1025 7.936,1026 1.786,1027 9.947,1028 5.897,1029 6.777,1030 7.272,1031 4.742,1032 12.145,1033 6.699,1034 9.34,1035 1.617,1036 11.834,1037 4.939,1038 7.566,1039 8.132,1040 4.957,1041 14.487,1042 7.504,1043 10.784,1044 1.45,1045 13.771,1046 4.605,1047 8.995,1048 9.727,1049 6.297,1050 17.347,1051 8.913,1052 12.255,1053 1.305,1054 15.745,1055 3.567,1056 10.107,1057 10.914,1058 6.859,1059 19.977,1060 10.033,1061 13.747,1062 1.096,1063 17.745,1064 3.488,1065 11.432,1066 12.393,1067 7.973,1068 22.761,1069 11.347,1070 3.849,1071 1,1072 19.767,1073 2.695,1074 12.67,1075 13.725,1076 8.703,1077 25.485,1078 12.585,1079 3.575,1080 16.383,1081 21.804,1082 2.275,1083 13.978,1084 15.177,1085 9.707,1086 28.256,1087 13.885,1088 2.877,1089 14.589,1090 23.855,1091 4.407,1092 15.266,1093 16.578,1094 10.519,1095 31.013,1096 15.169,1097 2.794,1098 10.49,1099 25.915,1100 3.784,1101 16.578,1102 18.03,1103 11.47,1104 33.785,1105 16.474,1106 2.774,1107 10.006,1108 27.983,1109 3.407,1110 17.887,1111 19.465,1112 12.324,1113 36.554,1114 17.778,1115 2.491,1116 8.549,1117 30.057,1118 3.184,1119 19.206,1120 20.923,1121 13.247,1122 39.33,1123 19.09,1124 2.287,1125 8.058,1126 32.136,1127 3.101,1128 20.527,1129 22.377,1130 14.122,1131 42.107,1132 20.403,1133 21301,1134 36162,1135 28.263,1136 50.017,1137 70.976,1138 74.294,1139 76.644,1140 69.388,1141 69.444,1142 77.916,1143 20.382,1144 226.288,1145 67.191,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 28.339,1156 1.577,1157 1.651,1158 1.703,1159 1.542,1160 1.543,1161 1.731,1162 0.453,1163 5.029,1164 1.493,1165 4.131,1166 4.148,1167 4.085,1168 4.053,1169 7.439,1170 4.057,1171 3.911,1172 3.953,1173 3.829,1174 3.79,1175 7.431,1176 3.794,1177 3.834,1178 3.864,1179 3.743,1180 3.704,1181 7.43,1182 3.706,1183 3.583,1184 3.6,1185 3.505,1186 3.389,1187 7.427,1188 3.407,1189 3.515,1190 3.542,1191 3.449,1192 3.292,1193 6.46,1194 3.317,1195 3.496,1196 3.51,1197 3.405,1198 3.281,1199 6.448,1200 3.307,1201 3.358,1202 3.397,1203 3.249,1204 3.143,1205 4.714,1206 3.139,1207 3.307,1208 3.358,1209 3.157,1210 3.06,1211 4.558,1212 3.089,1213 0.112,1214 0.094,1215 0.184,1216 0.108,1217 0.086,1218 5.02,1219 0.098,1220 4.232,1221 0.055,1222 8.266,1223 0.364,1224 4.842,1225 0.085,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.118,1234 2.13,1235 1.521,1236 2.123,1237 1.852,1238 1.806,1239 2.039,1240 2.023,1241 1.407,1242 2.03,1243 1.744,1244 1.715,1245 1.908,1246 1.898,1247 1.262,1248 1.898,1249 1.586,1250 1.536,1251 1.828,1252 1.768,1253 1.187,1254 1.787,1255 1.448,1256 1.416,1257 1.696,1258 1.705,1259 0.827,1260 1.692,1261 1.423,1262 1.386,1263 1.661,1264 1.681,1265 0.825,1266 1.67,1267 1.355,1268 1.324,1269 1.611,1270 1.627,1271 0.784,1272 1.615,1273 1.244,1274 1.197,1275 1.556,1276 1.514,1277 0.701,1278 1.524,1279 4.511,1281 5.916,1282 2.398,1283 7.535,1284 4.844,1285 9.269,1286 7.034,1287 11.074,1289 7.789,1294 22.579,1295 3.2,1297 22.124,1299 -3.148,1300 1.872,1301 -2.004,1305 48.179,1306 119.198,1307 279.272,1308 416.761,1309 453.98,1310 453.98,1311 453.98,1312 159.855,1313 9.135,1314 148.9,1315 148.9,1316 29,1317 13.603,1318 3,1319 3,1320 65.802,1321 164,1322 244,1323 0.195,1324 287.839,1325 546.18,1326 694.086,1327 120604,1329 29.853,1330 0.728,1331 0.591,1332 29.853,1333 24.229,1334 19.376,1335 0.431,1336 0.316,1337 13.934,1338 18.312,1339 13.494,1340 11.036,1341 19.376,1342 14.202,1343 18.662,1344 0.267,1345 0.175,1346 18.662,1347 12.262,1348 16.497,1349 0.16,1350 0.097,1351 16.497,1352 10.032,1353 14.108,1354 0.094,1355 0.053,1356 14.108,1357 7.886,1358 12.324,1359 0.057,1360 0.027,1361 12.324,1362 5.89,1363 0.295,1364 124.29,1365 0.188,1366 35.247,1367 0.579,1368 230,1369 743.829,1370 258.873,1371 677.723,1372 892.39,1373 630,1374 288,1375 620.313,1376 316.466,1377 619.404,1378 926.51,1379 578,1380 7.509}
{0 CHEMBL273832,1 1.442,2 7.871,3 1.605,4 2.577,5 107.181,6 7.552,7 0.143,8 4.17,9 4.251,10 3.742,11 3.667,12 5.265,13 3.673,14 4.806,15 4.94,16 4.232,17 4.167,18 5.897,19 4.162,20 5.128,21 5.264,22 4.454,23 4.451,24 6.216,25 4.425,26 5.395,27 5.565,28 4.582,29 4.587,30 6.476,31 4.549,32 5.491,33 5.681,34 4.573,35 4.561,36 6.61,37 4.525,38 5.418,39 5.581,40 4.539,41 4.501,42 6.693,43 4.475,44 5.392,45 5.575,46 4.318,47 4.402,48 6.682,49 4.329,50 5.309,51 5.568,52 3.776,53 4.07,54 6.407,55 3.926,56 0.142,57 0.747,58 11.739,59 6.153,60 19.808,61 7.084,62 0.662,63 1.312,64 25.609,65 10.866,66 70.095,67 13.062,68 0.826,69 1.808,70 35.114,71 15.022,72 95.91,73 18.195,74 1.105,75 2.244,76 48.612,77 18.758,78 139.402,79 23.658,80 1.71,81 2.312,82 57.378,83 19.234,84 178.543,85 24.523,86 1.789,87 2.147,88 52.226,89 17.69,90 221.81,91 21.852,92 1.762,93 2.061,94 51.85,95 17.195,96 233.344,97 21.996,98 1.759,99 1.732,100 53.554,101 14.75,102 199.492,103 20.566,104 73,105 57,106 0.237,107 0.597,108 0.831,109 0.882,110 0.882,111 0.882,112 3.475,113 0.909,114 -2.9,115 -2.91,116 -2.81,119 40.4,120 3,121 3,122 1,123 2,124 1,125 1,127 3,136 2,143 2,151 1,152 1,157 1,158 2,172 11,174 2,175 10,180 2,183 15,186 2,187 13,192 4,195 15,198 2,199 18,204 1,207 11,211 3,212 18,215 1,217 1,220 11,223 5,224 12,227 1,229 1,232 10,236 4,237 11,240 2,242 3,245 5,249 2,250 6,253 1,255 1,262 1,263 3,266 1,275 1352,276 20.321,277 20.321,278 20.321,279 20.321,280 20.321,281 19.188,282 22.986,283 11.214,284 20.685,285 17.167,286 17.167,287 17.167,288 17.167,289 17.167,290 15.135,291 26.836,292 5.139,293 17.643,294 4.39,295 2.203,296 0.781,297 0.474,298 0.474,299 0.474,300 4.17,304 1,305 1,306 530,307 4.183,310 80.54,311 133.268,314 207.924,315 148.21,316 85.025,318 0.997,319 61.457,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 70,331 244,332 5.024,333 4.229,334 8.27,335 4.851,336 3.856,337 4.506,338 2.455,339 16.41,340 3.835,341 4.621,342 3.779,343 7.865,344 4.569,345 3.578,346 3.868,347 1.674,348 14.59,349 3.547,350 4.17,351 3.648,352 6.7,353 3.873,354 2.873,355 3.42,356 1.148,357 10.519,358 2.876,359 4.044,360 3.554,361 6.651,362 3.799,363 2.801,364 3.259,365 0.86,366 10.287,367 2.788,368 3.655,369 3.45,370 5.926,371 3.403,372 2.447,373 2.809,374 0.525,375 7.96,376 2.322,377 3.542,378 2.883,379 5.773,380 3.202,381 2.224,382 2.726,384 7.414,385 2.159,386 3.234,387 2.646,388 5.379,389 2.98,390 2.002,391 2.297,393 6.014,394 1.937,395 2.942,396 2.368,397 5.096,398 2.772,399 1.789,400 1.954,402 4.94,403 1.739,404 2.682,405 2.121,406 4.63,407 2.579,408 1.617,409 1.677,411 4.614,412 1.544,413 2.606,414 1.843,415 4.303,416 2.348,417 1.373,418 1.604,420 3.58,421 1.327,422 2.35,423 1.697,424 4.2,425 2.043,426 1.094,427 1.263,428 2.829,429 1.03,430 2.285,431 1.411,432 3.973,433 1.918,434 0.964,435 1.214,436 2.374,437 0.909,438 2.077,439 1.284,440 3.787,441 1.643,442 0.652,443 0.849,445 1.582,446 0.632,447 1.772,448 0.911,449 3.353,450 1.462,451 0.472,452 0.583,454 1.153,455 0.464,456 1.141,457 0.786,458 3.247,459 0.967,460 0.021,461 0.022,463 0.056,464 0.02,465 14.167,466 0.457,467 1.204,468 0.039,469 30.5,470 0.984,471 10,472 0.323,473 20.5,474 0.661,475 40.608,476 1.31,477 35.633,478 0.625,479 27.455,480 0.886,481 5.495,482 0.177,483 9.145,484 0.295,485 0.235,486 0.071,487 0.424,493 0.755,494 1.24,495 0.738,496 1.208,497 0.632,498 1.01,499 0.828,500 0.881,501 0.721,502 0.861,503 0.561,504 0.778,505 0.85,506 1.116,507 0.915,508 1.11,509 0.773,510 1.045,511 0.873,512 1.165,513 0.918,514 1.155,515 0.879,516 1.068,517 1.056,518 0.981,519 0.958,520 0.971,521 0.933,522 0.942,523 1.133,524 1.074,525 1.082,526 1.07,527 1.179,528 1.062,529 1.064,530 1.196,531 1.221,532 1.212,533 1.156,534 1.253,535 1.143,536 0.884,537 1.158,538 0.902,539 1.18,540 1.011,541 8.5,543 6,544 4.507,545 4.511,546 2.566,547 1.791,548 0.914,549 0.471,550 0.105,551 9451,552 28107,553 2.046,554 45.6,555 9,556 8,557 1,559 1,560 3,561 4,564 1.752,565 1.824,566 2.91,567 -0.329,568 1,569 1,573 82.221,574 1.442,575 3.63,576 5.052,577 5.359,578 5.359,579 5.359,580 2.319,581 4.825,582 4.927,583 3.05,584 1418.27,585 8.695,586 18276.9,588 1,590 1,591 332.475,592 1.807,593 4.828,594 0.243,596 0.105,597 0.065,598 0.06,599 0.036,600 0.026,601 0.018,602 0.019,603 0.009,604 0.581,605 0.33,606 0.88,607 1.174,608 151.608,609 -0.05,610 -0.039,611 0.054,612 -0.023,613 -0.047,614 0.033,615 0.022,616 0.223,617 0.164,618 0.233,619 0.072,620 0.239,621 -0.022,622 -0.016,623 -0.037,624 -0.018,625 -0.026,626 -0.029,627 -0.012,628 -0.126,629 0.007,630 -0.116,631 -0.049,632 -0.061,633 -0.025,634 -0.001,635 0.034,636 0.007,637 -0.028,638 0.032,639 -0.008,640 -0.076,641 -0.093,642 -0.085,643 -0.011,644 -0.108,645 0.005,646 -0.22,647 -0.228,648 -0.243,649 0.023,650 -0.293,651 -0.071,652 -0.018,653 -0.084,654 -0.023,655 -0.083,656 -0.051,657 2.234,658 6.729,659 0.613,660 21.948,661 1.019,662 1.124,663 1.674,664 2.801,665 0.641,666 3.584,667 4.06,668 4.489,669 4.92,670 5.293,671 5.598,672 5.855,673 6.098,674 6.258,675 6.356,676 4.985,677 0.624,678 430.49,679 3.584,680 5.22,681 6.163,682 7.148,683 8.123,684 9.117,685 10.103,686 11.1,687 12.092,688 13.09,704 1,707 1,709 3,711 5,716 1,721 1,731 57,733 9,735 35,737 61,738 23,739 4,742 4,746 5,747 18,752 3,753 2,754 2,755 6,756 1,758 6,761 9,762 14,763 1,766 4,771 3,775 5,778 1,780 1,781 26,782 8,783 1,784 8,794 0.2,795 8,797 1,811 2,812 3,815 3,816 2,817 1,829 1,832 2,838 1,839 1,840 1,844 4,848 31,853 1,854 4,856 3,858 4,860 2,870 14,871 1,873 3,874 1,875 3,877 17,878 11.533,879 6.514,880 3.525,881 1.497,882 1.169,883 0.905,884 4.573,885 10.329,886 3.75,887 4.347,888 4.944,889 5.546,890 6.056,891 6.518,892 6.891,893 7.288,894 7.569,895 7.768,896 1,897 69,898 11.791,900 5.629,901 8.022,902 21.931,904 19.829,905 2.522,906 78.167,910 294.278,911 99.001,914 160.625,917 99.001,918 454.903,920 37.359,921 12.196,922 54.423,923 105.951,924 44.249,925 17.22,926 282.506,928 294.278,929 99.001,930 160.625,933 247.193,934 154.026,935 53.683,937 38.672,938 60.33,941 294.278,942 160.625,943 99.001,946 294.278,947 49.903,948 49.098,950 160.625,951 294.278,952 160.625,953 99.001,955 0.611,956 0.382,957 0.227,958 0.139,959 33,960 16,961 0.066,962 4,963 5,964 1.474,965 3.657,966 342.184,967 0.526,968 18,969 153.58,974 20.927,975 6.774,976 2.571,978 160.625,979 1.272,982 5.641,984 0.821,986 42.683,987 553.904,988 41.5,993 38.42,997 -0.179,999 58.105,1000 64.073,1001 0.247,1002 0.622,1003 0.866,1004 0.919,1005 0.919,1006 0.919,1007 5.125,1008 1.789,1009 6.263,1010 6.014,1011 4.745,1012 5.034,1013 3.051,1014 7.318,1015 4.707,1016 6.383,1017 1.617,1018 7.987,1019 4.94,1020 4.796,1021 5.156,1022 2.243,1023 8.885,1024 4.772,1025 7.773,1026 1.373,1027 9.827,1028 4.614,1029 6.627,1030 7.206,1031 4.228,1032 12.103,1033 6.576,1034 9.198,1035 1.094,1036 11.739,1037 3.58,1038 7.474,1039 8.12,1040 4.269,1041 14.476,1042 7.437,1043 10.662,1044 0.964,1045 13.698,1046 2.829,1047 8.906,1048 9.754,1049 5.711,1050 17.342,1051 8.853,1052 12.152,1053 0.652,1054 15.69,1055 2.374,1056 10.054,1057 10.991,1058 6.176,1059 19.982,1060 10.006,1061 13.662,1062 0.472,1063 17.705,1064 1.582,1065 11.388,1066 12.503,1067 7.348,1068 22.769,1069 11.331,1070 3.856,1071 0.021,1072 19.738,1073 1.153,1074 12.646,1075 13.877,1076 8.027,1077 25.497,1078 12.587,1079 3.578,1080 16.41,1081 21.785,1082 0.056,1083 13.962,1084 15.358,1085 9.063,1086 28.269,1087 13.896,1088 2.873,1089 14.59,1090 23.842,1091 4.506,1092 15.26,1093 16.794,1094 9.85,1095 31.028,1096 15.19,1097 2.801,1098 10.519,1099 25.907,1100 3.868,1101 16.579,1102 18.272,1103 10.818,1104 33.801,1105 16.502,1106 2.447,1107 10.287,1108 27.979,1109 3.42,1110 17.895,1111 19.737,1112 11.661,1113 36.573,1114 17.813,1115 2.224,1116 7.96,1117 30.056,1118 3.259,1119 19.218,1120 21.22,1121 12.594,1122 39.35,1123 19.13,1124 2.002,1125 7.414,1126 32.137,1127 2.809,1128 20.542,1129 22.7,1130 13.464,1131 42.128,1132 20.449,1133 9184,1134 15917,1135 22.194,1136 36.534,1137 56.807,1138 59.062,1139 60.611,1140 55.525,1141 55.528,1142 64.102,1143 13.324,1144 188.643,1145 54.26,1146 6.014,1147 6.195,1148 8.03,1149 5.942,1150 5.856,1151 7.221,1152 4.234,1153 25.418,1154 5.835,1155 19.576,1156 1.623,1157 1.687,1158 1.732,1159 1.586,1160 1.587,1161 1.831,1162 0.381,1163 5.39,1164 1.55,1165 4.158,1166 4.166,1167 4.124,1168 4.071,1169 7.437,1170 4.08,1171 3.92,1172 3.939,1173 3.85,1174 3.808,1175 7.431,1176 3.815,1177 3.603,1178 3.62,1179 3.519,1180 3.416,1181 7.426,1182 3.432,1183 3.552,1184 3.574,1185 3.459,1186 3.315,1187 6.449,1188 3.34,1189 3.435,1190 3.457,1191 3.375,1192 3.245,1193 5.012,1194 3.271,1195 3.296,1196 3.349,1197 3.156,1198 3.125,1199 4.667,1200 3.112,1201 3.256,1202 3.316,1203 3.059,1204 3.001,1205 4.532,1206 3.007,1207 3.092,1208 3.15,1209 2.98,1210 2.849,1211 4.317,1212 2.857,1213 0.144,1214 0.121,1215 0.236,1216 0.139,1217 0.11,1218 5.024,1219 0.129,1220 4.229,1221 0.07,1222 8.27,1223 0.469,1224 4.851,1225 0.11,1226 3.856,1227 4.506,1228 2.455,1229 16.41,1230 3.835,1231 2.014,1232 2.002,1233 2.104,1234 2.106,1235 1.518,1236 2.103,1237 1.741,1238 1.716,1239 1.902,1240 1.894,1241 1.26,1242 1.893,1243 1.589,1244 1.544,1245 1.829,1246 1.776,1247 1.187,1248 1.79,1249 1.432,1250 1.4,1251 1.696,1252 1.705,1253 0.81,1254 1.692,1255 1.396,1256 1.387,1257 1.648,1258 1.645,1259 0.752,1260 1.64,1261 1.369,1262 1.331,1263 1.523,1264 1.628,1265 0.673,1266 1.59,1267 1.202,1268 1.152,1269 1.485,1270 1.431,1271 0.58,1272 1.438,1273 1.125,1274 1.047,1275 1.418,1276 1.368,1277 0.567,1278 1.406,1279 4.263,1281 5.7,1282 3.045,1283 7.352,1284 5.476,1285 9.12,1286 7.67,1287 10.959,1289 6.686,1294 10.794,1295 1.69,1297 16.873,1299 -2.28,1301 -1.57,1305 35.567,1306 82.221,1307 206.926,1308 287.945,1309 305.455,1310 305.455,1311 305.455,1312 93.282,1313 8.832,1314 112.27,1315 112.27,1316 28,1317 13.551,1318 3.322,1319 2.907,1320 42.899,1321 92,1322 101,1323 0.239,1324 208.833,1325 388.24,1326 501.312,1327 78330,1329 22.292,1330 0.719,1331 0.581,1332 22.292,1333 18.02,1334 14.64,1335 0.418,1336 0.303,1337 10.409,1338 13.84,1339 10.071,1340 8.196,1341 14.64,1342 10.606,1343 14.642,1344 0.257,1345 0.167,1346 14.642,1347 9.515,1348 13.126,1349 0.149,1350 0.09,1351 13.126,1352 7.932,1353 12.066,1354 0.089,1355 0.048,1356 12.066,1357 6.472,1358 10.576,1359 0.053,1360 0.024,1361 10.576,1362 4.834,1363 0.346,1364 93.897,1365 0.212,1366 27.201,1367 0.769,1368 184,1369 592.298,1370 207.028,1371 538.005,1372 719.95,1373 502,1374 237,1375 514,1376 260.144,1377 511.237,1378 774.68,1379 479,1380 8.569}
{0 CHEMBL278041,1 1.58,2 9.16,3 4.187,4 17.527,5 93.158,6 8.497,7 0.821,8 3.793,9 3.892,10 3.47,11 3.418,12 5.047,13 3.416,14 4.233,15 4.354,16 3.825,17 3.783,18 5.498,19 3.769,20 4.469,21 4.641,22 3.834,23 3.853,24 5.686,25 3.817,26 4.469,27 4.667,28 3.758,29 3.797,30 5.606,31 3.755,32 4.441,33 4.651,34 3.757,35 3.818,36 5.496,37 3.768,38 4.394,39 4.568,40 3.776,41 3.841,42 5.609,43 3.782,44 4.432,45 4.607,46 3.713,47 3.845,48 5.621,49 3.768,50 4.486,51 4.72,52 3.503,53 3.718,54 5.586,55 3.604,56 0.063,57 0.605,58 5.82,59 3.203,60 9.196,61 3.519,62 0.097,63 0.963,64 9.518,65 5.109,66 10.667,67 5.835,68 0.231,69 1.2,70 15.399,71 6.858,72 35.399,73 7.893,74 0.284,75 1.193,76 16.451,77 6.485,78 38.946,79 7.622,80 0.248,81 1.127,82 16.154,83 6.323,84 27.589,85 8.008,86 0.302,87 1.097,88 13.838,89 6.402,90 31.866,91 8.047,92 0.196,93 1.122,94 14.591,95 7.218,96 24.109,97 8.907,98 0.201,99 1.15,100 18.786,101 8.18,102 30.925,103 10.643,104 5,105 39,106 0.275,107 0.541,108 0.692,109 0.796,110 0.813,111 0.813,112 3.268,113 0.832,114 -4.77,115 -4.68,116 -4.4,119 51.3,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 4,183 9,187 6,192 7,195 5,199 6,204 5,207 6,215 1,217 2,220 14,223 1,224 1,227 1,228 1,232 18,237 3,245 12,250 4,255 2,258 4,263 2,268 4,275 925,276 17.154,277 17.154,278 17.154,279 17.154,280 17.154,281 14.445,282 3.784,283 10.202,284 17.429,285 13.846,286 13.846,287 13.846,288 13.846,289 13.846,290 9.895,291 1.825,292 4.905,293 14.339,294 3.705,295 2.179,296 1.313,297 0.718,298 0.615,299 0.615,300 3.967,304 1,305 1,306 501,307 2,310 66.493,311 238.298,318 1.299,319 24.666,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54,331 229,332 4.567,333 3.208,334 6.747,335 4.171,336 3.203,337 4.3,339 11.08,340 3.103,341 4.119,342 2.899,343 6.079,344 3.728,345 2.744,346 3.726,348 8.826,349 2.698,350 3.976,351 2.771,352 5.772,353 3.554,354 2.573,355 3.568,357 7.837,358 2.525,359 3.723,360 2.479,361 5.077,362 3.265,363 2.312,364 3.238,366 6.17,367 2.193,368 3.55,369 2.423,370 5.02,371 3.139,372 2.192,373 2.906,375 5.992,376 2.062,377 3.201,378 1.832,379 4.657,380 2.716,381 1.764,382 2.485,384 4.826,385 1.671,386 2.872,387 1.445,388 4.175,389 2.353,390 1.414,391 2.038,393 3.52,394 1.323,395 2.5,396 1.118,397 3.91,398 2,399 1.04,400 1.5,402 2.901,403 1,404 2.5,405 1,406 3.457,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.414,416 1.993,417 1,418 1.5,420 2.275,421 0.986,422 2.5,423 1,424 3.414,425 1.984,426 1,427 1.5,428 2.202,429 0.983,430 2.277,431 0.815,432 3.247,433 1.718,434 0.795,435 1.171,436 2.136,437 0.732,438 1.155,439 0.311,440 2.607,441 0.765,442 -0.16,443 -0.199,445 -0.356,446 -0.144,447 1.099,448 0.088,449 2.546,450 0.691,451 -0.232,452 -0.293,454 -0.521,455 -0.21,456 0.755,457 -0.605,458 2.223,459 0.31,460 -0.65,461 -0.865,463 -1.517,464 -0.62,465 11.819,466 0.473,467 0.554,468 0.022,469 38.5,470 1.54,471 22.5,472 0.9,473 16,474 0.64,475 14.937,476 0.597,477 24.781,478 0.635,479 27.513,480 1.101,481 7.858,482 0.314,483 4.345,484 0.174,485 0.052,487 0.338,491 1,493 0.736,494 0.924,495 0.679,496 0.825,497 0.699,498 0.759,499 0.673,500 1.05,501 0.787,502 1.035,503 0.592,504 0.959,505 1.038,506 1.106,507 1.012,508 1.048,509 0.977,510 1.029,511 1.018,512 1.001,513 1.066,514 0.935,515 0.875,516 0.977,517 0.618,518 0.712,519 0.871,520 0.761,521 0.403,522 0.822,523 0.429,524 0.731,525 0.897,526 0.952,527 0.447,528 1.014,529 0.621,530 0.948,531 1.01,532 1.191,533 0.731,534 1.202,535 0.712,536 1.063,537 1.023,538 1.214,539 0.787,540 1.204,541 4.5,542 0.07,543 2.889,544 1.16,545 1.386,546 1.077,547 0.375,548 0.28,549 0.294,550 0.195,551 6899,552 21419,553 2.154,554 35.9,556 10,558 2,559 2,564 1.687,565 2.055,566 3.168,567 0.233,569 1,573 61.634,574 1.58,575 3.106,576 3.972,577 4.567,578 4.67,579 4.67,580 2.623,581 4.084,582 4.611,583 3.305,584 991.396,585 8.015,586 11822,588 1,589 1,590 1,591 206.131,592 1.26,593 4.592,594 0.161,595 0.008,596 0.074,597 0.031,598 0.04,599 0.03,600 0.01,601 0.008,602 0.012,603 0.011,604 0.385,605 0.33,606 1,607 0.477,608 118.685,609 -0.084,610 -0.021,611 0.01,612 0.063,613 -0.111,614 0.058,615 -0.009,616 -0.119,617 -0.049,618 -0.14,619 0.011,620 -0.115,621 -0.123,622 -0.132,623 -0.109,624 -0.101,625 -0.077,626 -0.102,627 -0.166,628 -0.05,629 -0.127,630 -0.012,631 -0.129,632 -0.044,633 -0.048,634 0.134,635 0.047,636 0.158,637 0.005,638 0.142,639 0.203,640 0.144,641 -0.038,642 -0.01,643 0.125,644 -0.068,645 0.071,646 -0.08,647 -0.12,648 -0.204,649 -0.015,650 -0.211,651 0.039,652 -0.19,653 0.025,654 -0.175,655 0.01,656 -0.105,657 1.955,658 5.274,659 0.92,660 21.28,661 1.011,662 1.116,663 3.541,664 12.537,665 0.717,666 3.367,667 3.689,668 3.97,669 4.248,670 4.533,671 4.644,672 4.779,673 4.934,674 5.069,675 5.043,676 5.563,677 0.701,678 331.37,679 3.367,680 4.905,681 5.759,682 6.637,683 7.515,684 8.404,685 9.293,686 10.188,687 11.083,688 11.983,689 7.7,697 1,699 2,704 12,705 2,706 1,709 8,711 23,728 1,730 1,731 39,733 23,734 2,735 28,737 42,738 20,739 20,740 4,741 8,746 4,747 4,761 20,778 1,779 1,781 14,782 4,783 2,784 5,787 1,790 3,794 1,795 1,805 1,811 1,812 3,840 4,846 1,848 25,853 1,869 1,870 2.6,872 1,877 12.167,878 6.993,879 5.444,880 2.194,881 3.35,882 1.462,883 1.024,884 3.945,885 10.595,886 3.701,887 4.341,888 4.964,889 5.583,890 6.164,891 6.506,892 6.979,893 7.462,894 7.93,895 8.255,896 1,897 38,898 9.185,900 3.969,901 7.893,902 17.231,904 14.158,905 2.393,906 59.833,910 141.253,911 139.376,912 50.357,914 42.683,915 14.96,917 139.376,918 183.937,919 65.317,922 94.762,923 102.125,924 56.315,925 17.717,926 117.711,928 141.253,929 189.733,930 57.643,933 156.213,934 42.683,937 39.965,938 116.197,939 33.571,941 156.213,942 93.04,943 139.376,946 141.253,947 26.519,948 112.857,949 16.786,950 91.215,951 141.253,952 108,953 139.376,955 0.58,956 0.333,957 0.179,958 0.109,959 20,960 8,961 0.071,962 3,964 1,965 3.72,966 214.737,968 23,969 104.096,974 15.401,975 6.404,976 3.112,978 91.215,979 20.258,980 8.754,981 3.333,984 4.743,986 59.469,987 388.63,988 39.5,999 39.447,1000 43.535,1001 0.299,1002 0.588,1003 0.752,1004 0.864,1005 0.884,1006 0.884,1007 4.911,1008 1.04,1009 5.733,1010 3.52,1011 4.369,1012 5.027,1014 6.535,1015 4.302,1016 6.128,1017 1,1018 7.281,1019 2.901,1020 3.892,1021 4.691,1023 7.413,1024 3.776,1025 7.43,1026 1,1027 8.93,1028 2.275,1029 5.948,1030 7.239,1032 10.53,1033 5.827,1034 8.769,1035 1,1036 10.641,1037 2.275,1038 6.312,1039 7.743,1041 12.285,1042 6.146,1043 10.14,1044 0.795,1045 12.392,1046 2.202,1047 7.818,1048 9.71,1050 14.917,1051 7.644,1052 11.534,1053 -0.16,1054 14.173,1055 2.136,1056 8.577,1057 10.631,1059 17.035,1060 8.362,1061 12.946,1062 -0.232,1063 15.976,1064 -0.356,1065 9.858,1066 12.329,1068 19.507,1069 9.629,1070 3.203,1071 -0.65,1072 17.796,1073 -0.521,1074 10.814,1075 13.48,1077 21.783,1078 10.546,1079 2.744,1080 11.08,1081 19.63,1082 -1.517,1083 12.004,1084 15.044,1086 24.201,1087 11.714,1088 2.573,1089 8.826,1090 21.474,1091 4.3,1092 13.058,1093 16.325,1095 26.546,1096 12.731,1097 2.312,1098 7.837,1099 23.327,1100 3.726,1101 14.214,1102 17.823,1104 28.949,1105 13.862,1106 2.192,1107 6.17,1108 25.188,1109 3.568,1110 15.318,1111 19.179,1113 31.324,1114 14.929,1115 1.764,1116 5.992,1117 27.054,1118 3.238,1119 16.466,1120 20.646,1122 33.723,1123 16.048,1124 1.414,1125 4.826,1126 28.926,1127 2.906,1128 17.594,1129 22.043,1131 36.113,1132 17.141,1133 6547,1134 11639,1135 19.186,1136 27.978,1137 42.715,1138 42.412,1139 43.082,1140 42.187,1141 42.072,1142 58.864,1144 120.077,1145 40.549,1146 5.262,1147 5.208,1148 6.549,1149 5.206,1150 5.203,1151 7.3,1153 18.235,1154 5.103,1155 9.29,1156 1.526,1157 1.515,1158 1.539,1159 1.507,1160 1.503,1161 2.102,1163 4.288,1164 1.448,1165 4.088,1166 4.124,1167 4.056,1168 3.986,1169 8.201,1170 3.998,1171 3.872,1172 3.895,1173 3.818,1174 3.809,1175 6.471,1176 3.807,1177 3.829,1178 3.865,1179 3.772,1180 3.74,1181 5.028,1182 3.743,1183 3.595,1184 3.65,1185 3.545,1186 3.413,1187 4.835,1188 3.441,1189 2.964,1190 2.987,1191 2.918,1192 2.822,1193 4.601,1194 2.837,1195 2.854,1196 2.925,1197 2.768,1198 2.735,1199 4.461,1200 2.715,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.777,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 0.163,1214 0.115,1215 0.241,1216 0.149,1217 0.114,1218 4.567,1219 0.154,1220 3.208,1222 6.747,1223 0.396,1224 4.171,1225 0.111,1226 3.203,1227 4.3,1229 11.08,1230 3.103,1231 1.926,1232 1.902,1233 2.012,1234 2.02,1235 1.119,1236 2.019,1237 1.9,1238 1.877,1239 1.997,1240 1.996,1241 1.081,1242 1.997,1243 1.811,1244 1.779,1245 1.921,1246 1.923,1247 0.97,1248 1.925,1249 1.3,1250 1.242,1251 1.423,1252 1.563,1253 0.466,1254 1.528,1255 1.217,1256 1.181,1257 1.274,1258 1.391,1259 0.33,1260 1.357,1261 0.886,1262 0.821,1263 1.181,1264 1.062,1265 0.218,1266 1.107,1267 0.886,1268 0.821,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 4.043,1281 5.361,1282 2.398,1283 6.876,1284 4.727,1285 8.474,1286 6.862,1287 10.115,1291 13.274,1294 9.472,1305 27.323,1306 61.634,1307 121.137,1308 154.911,1309 178.131,1310 182.131,1311 182.131,1312 36.524,1313 7.245,1314 61.8,1315 61.8,1316 23,1317 12.507,1318 4.585,1319 3.644,1320 35.604,1321 81,1322 91,1323 0.214,1324 166.42,1325 280.34,1326 397.824,1327 11732,1328 2.6,1329 17.225,1330 0.689,1331 0.526,1332 16.355,1333 13.148,1334 12.204,1335 0.436,1336 0.277,1337 7.673,1338 11.82,1339 7.539,1340 6.24,1341 11.81,1342 7.763,1343 10.997,1344 0.282,1345 0.144,1346 10.375,1347 5.599,1348 9.348,1349 0.18,1350 0.076,1351 8.938,1352 3.931,1353 7.648,1354 0.111,1355 0.039,1356 7.496,1357 2.673,1358 6.576,1359 0.071,1360 0.02,1361 6.346,1362 1.857,1363 0.326,1364 75.981,1365 0.228,1366 23.908,1367 0.624,1368 134,1369 431.884,1370 145.485,1371 402.495,1372 550.06,1373 376,1374 158,1375 407.547,1376 168.927,1377 410.619,1378 598.6,1379 388,1380 5}
{0 CHEMBL288441,1 1.692,2 14.556,3 4.883,4 23.847,5 142.137,6 8.162,7 0.436,8 4.273,9 4.384,10 3.916,11 3.784,12 5.376,13 3.77,14 4.831,15 5.013,16 4.276,17 4.168,18 5.83,19 4.139,20 5.047,21 5.227,22 4.462,23 4.366,24 6.1,25 4.306,26 5.171,27 5.39,28 4.438,29 4.411,30 6.182,31 4.3,32 5.173,33 5.417,34 4.323,35 4.353,36 6.121,37 4.252,38 5.067,39 5.27,40 4.381,41 4.327,42 6.127,43 4.251,44 5.082,45 5.292,46 4.382,47 4.291,48 6.218,49 4.216,50 4.969,51 5.165,52 4.319,53 4.22,54 6.095,55 4.143,56 0.069,57 0.928,58 12.114,59 5.76,60 11.444,61 7.328,62 0.459,63 1.455,64 27.478,65 9.309,66 28.265,67 11.987,68 0.67,69 1.759,70 37.048,71 12.412,72 44.354,73 16.176,74 0.747,75 1.885,76 48.447,77 15.391,78 65.448,79 20.506,80 0.786,81 1.823,82 47.666,83 15.1,84 61.843,85 20.601,86 0.545,87 1.697,88 38.227,89 13.209,90 51.397,91 17.233,92 0.835,93 1.649,94 44.73,95 12.79,96 81.487,97 16.75,98 0.591,99 1.526,100 34.875,101 12.092,102 61.341,103 15.781,104 46,105 54,106 0.269,107 0.578,108 0.758,109 0.819,110 0.844,111 0.858,112 3.616,113 0.956,114 -2.61,115 -2.63,116 -2.56,119 40,121 1,124 3,125 6,142 4,143 2,144 7,145 1,146 1,158 1,172 1,175 9,180 3,183 4,186 2,187 6,192 3,195 5,198 3,199 2,202 3,204 1,207 5,211 1,212 5,215 1,217 1,220 6,224 8,227 1,232 4,236 3,237 7,245 4,249 4,250 5,255 1,258 2,262 1,263 5,271 1,275 2640,276 24.488,277 24.488,278 24.488,279 24.488,280 24.488,281 22.307,282 34.549,283 14.273,284 25.536,285 19.034,286 19.034,287 19.034,288 19.034,289 19.034,290 15.477,291 46.674,292 6.518,293 20.636,294 4.33,295 2.381,296 1.254,297 0.866,298 0.712,299 0.619,300 4.31,301 2,305 1,306 1115,307 3.742,311 447.348,315 171.585,318 2.469,319 35.703,322 0.75,323 0.83,324 0.67,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 78.167,331 524,332 4.641,333 4.073,334 6.744,335 4.181,336 3.209,337 4.576,338 2.035,339 11.06,340 3.122,341 4.356,342 3.389,343 6.254,344 3.898,345 2.975,346 4.047,347 0.86,348 9.396,349 2.714,350 4.121,351 3.291,352 6.128,353 3.692,354 2.75,355 3.649,356 0.86,357 8.973,358 2.58,359 3.712,360 3.03,361 5.738,362 3.539,363 2.618,364 3.095,365 0.86,366 7.555,367 2.409,368 3.696,369 2.944,370 5.593,371 3.271,372 2.381,373 3.022,374 0.8,375 7.155,376 2.127,377 3.618,378 2.869,379 5.412,380 3.159,381 2.199,382 2.643,383 0.8,384 7.12,385 2.046,386 3.356,387 2.49,388 4.889,389 3.027,390 2.116,391 2.617,392 0.4,393 5.696,394 1.928,395 3.12,396 2.318,397 4.869,398 2.826,399 1.885,400 2.239,402 5.397,403 1.766,404 3.058,405 2.29,406 4.569,407 2.606,408 1.711,409 2.118,411 4.732,412 1.479,413 2.992,414 2.215,415 4.338,416 2.475,417 1.56,418 1.821,420 3.968,421 1.405,422 2.748,423 1.905,424 3.731,425 2.195,426 1.257,427 1.407,428 2.927,429 1.166,430 2.414,431 1.642,432 3.54,433 1.967,434 1,435 1.289,436 2.275,437 0.965,438 2.058,439 1.476,440 3.414,441 1.779,442 0.954,443 1,445 2.202,446 0.751,447 2,448 1.146,449 3.306,450 1.595,451 0.711,452 0.968,454 1.396,455 0.6,456 1.819,457 1.023,458 3.093,459 1.518,460 0.612,461 0.72,463 1.318,464 0.545,465 17.429,466 0.484,467 0.831,468 0.023,469 45.25,470 1.257,471 21,472 0.583,473 24.25,474 0.674,475 35.284,476 0.98,477 39.571,478 0.609,479 37.538,480 1.043,481 8.985,482 0.25,483 8.441,484 0.234,485 0.191,487 0.333,493 0.833,494 1.513,495 0.608,496 1.108,497 0.563,498 0.979,499 1.305,500 0.972,501 0.709,502 0.683,503 0.682,504 0.71,505 0.971,506 1.108,507 0.882,508 0.996,509 0.662,510 0.976,511 0.764,512 0.99,513 0.836,514 1.008,515 0.734,516 1.026,517 0.794,518 0.859,519 0.739,520 0.856,521 0.746,522 0.836,523 1.09,524 1.073,525 0.804,526 0.917,527 0.966,528 0.913,529 1.22,530 0.902,531 1.054,532 0.911,533 1.181,534 0.895,535 0.897,536 1.096,537 0.821,538 1.053,539 0.848,540 1.018,541 7.5,542 0.264,543 4.444,544 2.125,545 2.596,546 1.278,547 0.973,548 0.833,549 0.537,550 0.341,551 19781,552 56853,553 2.04,554 44.6,556 25,558 1,559 1,562 2,564 1.775,565 1.895,566 3.765,567 -0.327,573 109.996,574 1.692,575 3.641,576 4.769,577 5.157,578 5.311,579 5.403,580 3.288,581 4.705,582 5.133,583 3.976,584 2504.59,585 9.031,586 40531.6,591 391.454,592 1.459,593 5.092,594 0.192,595 0.008,596 0.082,597 0.035,598 0.048,599 0.024,600 0.018,601 0.016,602 0.011,603 0.008,604 0.443,605 0.33,606 0.88,607 0.873,608 197.773,609 -0.041,610 -0.293,611 0.032,612 -0.131,613 0.044,614 -0.042,615 -0.217,616 0.142,617 0.06,618 0.244,619 -0.008,620 0.206,621 0.026,622 -0.025,623 0.003,624 -0.025,625 0.1,626 -0.026,627 0.115,628 0.004,629 0.077,630 -0.018,631 0.121,632 -0.03,633 0.099,634 0.086,635 0.134,636 0.12,637 0.097,638 0.17,639 -0.072,640 -0.066,641 0.067,642 0.059,643 0.025,644 0.059,645 -0.039,646 0.096,647 -0.005,648 0.066,649 0.064,650 0.063,651 0.126,652 -0.083,653 0.073,654 -0.072,655 0.19,656 -0.046,657 1.31,658 3.745,659 0.611,660 47.741,661 1.01,662 1.129,663 1.375,664 1.892,665 0.677,666 3.689,667 4.007,668 4.29,669 4.533,670 4.82,671 4.913,672 5.011,673 5.165,674 5.298,675 5.328,676 8.319,677 0.642,678 530.5,679 3.689,680 5.231,681 6.084,682 6.961,683 7.836,684 8.719,685 9.602,686 10.491,687 11.379,688 12.271,689 7.7,692 2,697 1,698 1,699 1,703 2,704 5,705 1,709 8,711 17,713 1,724 1,729 3,730 2,731 65,733 18,734 2,735 39,737 68,738 26,739 15,740 8,741 4,746 4,747 5,748 2,758 1,760 1,761 15,762 10,781 29,782 8,783 1,784 10,785 2,790 5,794 0.75,795 3,805 1,812 4,816 1,836 2,840 3,844 3,845 2,848 36,854 7,855 1,856 3,859 2,861 1,866 1,868 1,869 2,870 4.6,875 3,877 19,878 12.752,879 8.167,880 3.792,881 3.505,882 1.428,883 0.963,884 9.127,885 11.694,886 3.922,887 4.5,888 5.107,889 5.692,890 6.322,891 6.711,892 7.12,893 7.564,894 7.999,895 8.189,896 0.9,897 60,898 13.269,900 5.517,901 7.719,902 25.373,904 20.365,905 2.219,906 79.889,910 329.591,911 147.52,912 72.104,913 78.297,914 33,917 147.52,918 440.888,919 72.104,920 30.162,921 17.655,922 37.905,923 45.158,924 133.513,926 317.82,927 78.297,928 329.591,929 219.624,930 33,931 78.297,933 306.049,934 56.542,937 84.166,938 118.673,939 95.083,941 329.591,942 105.104,943 225.817,946 329.591,947 53.803,948 83.364,949 34.612,950 159.142,951 329.591,952 105.104,953 225.817,955 0.575,956 0.349,957 0.186,958 0.107,959 24,960 12,961 0.132,962 9,963 1,964 1.091,965 4.563,966 340.42,967 0.091,968 22,969 182.117,974 26.743,975 12.286,976 6.345,977 1.351,978 105.104,979 8.458,980 4.48,984 3.866,986 18.011,987 660.512,988 49.5,999 65.625,1000 73.405,1001 0.281,1002 0.605,1003 0.792,1004 0.856,1005 0.882,1006 0.897,1007 5.178,1008 1.885,1009 6.071,1010 5.696,1011 4.691,1012 5.187,1013 2.77,1014 6.884,1015 4.539,1016 6.384,1017 1.711,1018 7.636,1019 5.397,1020 4.29,1021 5.085,1022 0.57,1023 7.796,1024 4.046,1025 7.699,1026 1.56,1027 9.298,1028 4.732,1029 6.293,1030 7.42,1031 3.677,1032 10.882,1033 6.03,1034 9.048,1035 1.257,1036 11.017,1037 3.968,1038 6.698,1039 8.155,1040 0.479,1041 12.597,1042 6.355,1043 10.43,1044 1,1045 12.771,1046 2.927,1047 8.165,1048 9.985,1049 4.983,1050 15.213,1051 7.807,1052 11.835,1053 0.954,1054 14.549,1055 2.275,1056 8.945,1057 11.11,1058 0.346,1059 17.281,1060 8.527,1061 13.258,1062 0.711,1063 16.346,1064 2.202,1065 10.201,1066 12.743,1067 6.381,1068 19.737,1069 9.765,1070 3.209,1071 0.612,1072 18.156,1073 1.396,1074 11.164,1075 14.059,1076 0.237,1077 21.97,1078 10.684,1079 2.975,1080 11.06,1081 19.977,1082 1.318,1083 12.337,1084 15.61,1085 7.798,1086 24.37,1087 11.836,1088 2.75,1089 9.396,1090 21.808,1091 4.576,1092 13.388,1093 17.02,1094 0.158,1095 26.683,1096 12.855,1097 2.618,1098 8.973,1099 23.646,1100 4.047,1101 14.531,1102 18.539,1103 9.218,1104 29.067,1105 13.978,1106 2.381,1107 7.555,1108 25.491,1109 3.649,1110 15.627,1111 19.997,1112 0.104,1113 31.419,1114 15.048,1115 2.199,1116 7.155,1117 27.343,1118 3.095,1119 16.762,1120 21.506,1121 10.638,1122 33.803,1123 16.164,1124 2.116,1125 7.12,1126 29.199,1127 3.022,1128 17.88,1129 22.988,1130 0.068,1131 36.175,1132 17.26,1133 19083,1134 32774,1135 25.66,1136 44.006,1137 58.42,1138 61.514,1139 60.367,1140 57.342,1141 57.166,1142 71.872,1143 13.229,1144 164.588,1145 52.328,1146 5.641,1147 6.073,1148 6.424,1149 5.25,1150 5.209,1151 7.576,1152 4.069,1153 18.287,1154 5.122,1155 20.414,1156 1.498,1157 1.577,1158 1.548,1159 1.47,1160 1.466,1161 1.843,1162 0.339,1163 4.22,1164 1.342,1165 4.102,1166 4.123,1167 4.131,1168 4.02,1169 6.82,1170 4.031,1171 3.898,1172 3.936,1173 4.026,1174 3.838,1175 5.075,1176 3.835,1177 3.858,1178 3.906,1179 3.736,1180 3.656,1181 4.997,1182 3.665,1183 3.62,1184 3.661,1185 3.611,1186 3.468,1187 4.688,1188 3.486,1189 3.502,1190 3.556,1191 3.555,1192 3.343,1193 4.656,1194 3.337,1195 3.268,1196 3.326,1197 3.363,1198 3.012,1199 4.493,1200 3.026,1201 3.236,1202 3.303,1203 3.212,1204 2.977,1205 4.474,1206 2.998,1207 3.19,1208 3.282,1209 3.119,1210 2.941,1211 4.387,1212 2.94,1213 0.119,1214 0.104,1215 0.173,1216 0.107,1217 0.082,1218 4.641,1219 0.117,1220 4.073,1221 0.052,1222 6.744,1223 0.284,1224 4.181,1225 0.08,1226 3.209,1227 4.576,1228 2.035,1229 11.06,1230 3.122,1231 2.038,1232 2.021,1233 2.082,1234 2.134,1235 1.336,1236 2.12,1237 1.853,1238 1.844,1239 2.014,1240 2.03,1241 1.233,1242 2.032,1243 1.799,1244 1.726,1245 1.889,1246 1.939,1247 1.12,1248 1.936,1249 1.571,1250 1.529,1251 1.818,1252 1.782,1253 1.045,1254 1.794,1255 1.476,1256 1.427,1257 1.626,1258 1.659,1259 0.825,1260 1.649,1261 1.198,1262 1.131,1263 1.561,1264 1.51,1265 0.671,1266 1.527,1267 1.181,1268 1.108,1269 1.542,1270 1.481,1271 0.641,1272 1.501,1273 1.162,1274 1.064,1275 1.513,1276 1.429,1277 0.572,1278 1.455,1279 4.369,1281 5.687,1283 7.209,1285 8.828,1287 10.5,1289 5.273,1290 12.604,1295 6.832,1296 3.261,1297 17.025,1300 4.805,1303 9.745,1304 2.19,1305 41.755,1306 109.996,1307 236.683,1308 309.97,1309 335.189,1310 345.189,1311 351.189,1312 72.029,1313 8.188,1314 82.88,1315 82.88,1316 24,1317 12.799,1318 4.248,1319 3.524,1320 62.202,1321 176,1322 220,1323 0.169,1324 263.95,1325 461.61,1326 635.797,1327 45361,1328 3.1,1329 25.656,1330 0.713,1331 0.614,1332 26.656,1333 22.118,1334 17.427,1335 0.447,1336 0.319,1337 11.512,1338 16.021,1339 11.105,1340 9.192,1341 18.004,1342 12.433,1343 15.234,1344 0.282,1345 0.175,1346 15.975,1347 9.432,1348 13.196,1349 0.183,1350 0.095,1351 13.903,1352 6.855,1353 10.596,1354 0.115,1355 0.051,1356 11.348,1357 4.657,1358 8.905,1359 0.072,1360 0.027,1361 9.35,1362 3.275,1363 0.269,1364 116.575,1365 0.197,1366 33.236,1367 0.455,1368 186,1369 582.527,1370 234.637,1371 613.408,1372 812.98,1373 574,1374 219,1375 540.271,1376 263.019,1377 569.569,1378 830.61,1379 530,1380 5}
{0 CHEMBL296468,1 1.706,2 11.8,3 2.284,4 5.216,5 101.699,6 7.767,7 0.37,8 3.979,9 4.1,10 3.665,11 3.55,12 4.99,13 3.47,14 4.551,15 4.736,16 4.127,17 3.973,18 5.51,19 3.851,20 4.782,21 4.99,22 3.999,23 4.025,24 5.719,25 3.878,26 4.895,27 5.161,28 3.92,29 3.959,30 5.827,31 3.792,32 4.614,33 4.87,34 3.825,35 3.766,36 5.612,37 3.614,38 4.288,39 4.455,40 3.875,41 3.739,42 5.319,43 3.56,44 4.388,45 4.617,46 3.622,47 3.732,48 5.218,49 3.493,50 4.129,51 4.299,52 3.55,53 3.559,54 5.096,55 3.378,56 0.023,57 0.759,58 11.51,59 5.054,60 7.549,61 6.286,62 0.278,63 1.247,64 28.591,65 9.346,66 26.577,67 11.26,68 0.297,69 1.401,70 33.279,71 10.879,72 34.528,73 13.753,74 0.565,75 1.39,76 39.808,77 11.762,78 59.771,79 14.875,80 0.453,81 1.155,82 31.374,83 8.604,84 47.285,85 10.791,86 0.28,87 0.985,88 24.271,89 7.881,90 25.889,91 8.452,92 0.298,93 1.03,94 34.79,95 10.196,96 21.236,97 10.966,98 0.13,99 0.81,100 20.114,101 6.957,102 17.688,103 7.67,104 18,105 38,106 0.292,107 0.602,108 0.762,109 0.769,110 0.769,111 0.769,112 3.266,113 1.141,114 -3.55,115 -3.52,116 -3.36,119 34.7,120 3,121 2,122 1,123 1,125 3,145 2,152 1,153 1,158 1,161 1,162 1,172 5,174 1,175 3,178 2,180 4,183 5,187 9,192 3,198 1,199 5,204 1,207 1,212 4,215 1,216 1,220 3,223 2,224 1,232 4,240 3,242 1,245 3,250 1,258 3,262 2,263 5,268 2,275 932,276 16.419,277 16.419,278 16.419,279 16.419,280 16.419,281 15.14,282 26.932,283 9.68,284 17.048,285 13.351,286 13.351,287 13.351,288 13.351,289 13.351,290 11.287,291 36.798,292 4.651,293 14.413,294 3.909,295 2.106,296 1.169,297 1.128,298 1.128,299 1.128,300 3.941,303 1,304 1,305 1,306 625,307 3.808,310 156.977,311 94.674,318 2,319 23.413,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 54,331 295,332 4.469,333 4.438,334 7.118,335 4.324,336 3.327,337 3.913,338 3.272,339 11.698,340 3.319,341 4.158,342 3.714,343 6.056,344 3.826,345 2.864,346 3.744,347 1.907,348 8.732,349 2.803,350 3.901,351 3.55,352 5.63,353 3.537,354 2.662,355 3.093,356 0.4,357 7.783,358 2.377,359 3.764,360 3.025,361 5.4,362 3.41,363 2.465,364 3.018,365 0.149,366 7.151,367 2.214,368 3.209,369 2.474,370 4.909,371 2.885,372 1.995,373 2.362,375 5.721,376 1.779,377 2.876,378 2.279,379 4.427,380 2.595,381 1.672,382 1.879,384 4.185,385 1.505,386 2.727,387 2.14,388 4.159,389 2.39,390 1.423,391 1.782,393 3.835,394 1.365,395 2.242,396 1.609,397 3.45,398 1.995,399 1.036,400 1.167,402 2.476,403 0.983,404 2.17,405 1.358,406 3.302,407 1.984,408 1,409 1.043,411 2.136,412 0.98,413 2.159,414 1.077,415 3.273,416 1.65,417 0.756,418 1.014,420 1.811,421 0.666,422 2,423 0.946,424 3.247,425 1.604,426 0.692,427 1,428 1.686,429 0.625,430 1.691,431 0.695,432 3.103,433 1.255,434 0.447,435 0.545,436 1.109,437 0.352,438 0.997,439 0.454,440 2.645,441 0.58,442 -0.353,443 -0.42,445 -0.95,446 -0.318,447 0.447,448 0.164,449 2.528,450 0.262,451 -0.75,452 -0.824,454 -1.619,455 -0.688,456 0.372,457 -0.323,458 2.123,459 0.108,460 -0.805,461 -0.972,463 -2.339,464 -0.78,465 12.433,466 0.497,467 0.757,468 0.03,469 26.75,470 1.07,471 10.5,472 0.42,473 16.25,474 0.65,475 26.424,476 1.057,477 28.367,478 0.579,479 15.677,480 0.627,481 4.316,482 0.173,483 7.599,484 0.304,485 0.147,486 0.04,487 0.241,493 0.826,494 1.328,495 0.768,496 0.982,497 0.633,498 1.001,499 0.701,500 1.057,501 0.796,502 0.945,503 0.553,504 0.906,505 1.139,506 1.232,507 1.001,508 1.159,509 1.094,510 1.179,511 1.356,512 0.855,513 0.806,514 0.76,515 1.358,516 0.808,517 1.229,518 0.814,519 0.973,520 0.834,521 1.538,522 0.797,523 1.19,524 1.113,525 1.51,526 1.302,527 1.169,528 1.121,529 0.535,530 1.121,531 1.958,532 1.724,533 0.462,534 1.129,535 1.131,536 1.318,537 1.527,538 1.428,539 1.198,540 1.238,541 6.5,542 0.09,543 2.667,544 1.507,545 1.296,546 0.511,547 0.375,548 0.293,549 0.185,550 0.2,551 8015,552 19920,553 2.028,554 49,555 9,556 6,558 2,559 2,560 1,561 4,564 1.672,565 1.887,566 3.515,567 0.352,568 1,569 1,573 83.595,574 1.706,575 3.509,576 4.446,577 4.486,578 4.486,579 4.486,580 2.953,581 4.134,582 4.617,583 3.731,584 1119.21,585 7.942,586 14422.1,588 1,590 1,591 275.121,592 1.571,593 4.56,594 0.241,595 0.006,596 0.07,597 0.047,598 0.045,599 0.02,600 0.015,601 0.013,602 0.009,603 0.011,604 0.477,605 0.33,606 1,607 0.795,608 124.003,609 -0.047,610 -0.12,611 0.077,612 0.031,613 -0.025,614 0.02,615 0.184,616 0.059,617 0.209,618 0.107,619 0.134,620 0.101,621 -0.083,622 -0.227,623 -0.066,624 -0.185,625 -0.089,626 -0.198,627 -0.067,628 0.013,629 0.123,630 0.137,631 -0.038,632 0.135,633 -0.041,634 0.192,635 0.084,636 0.138,637 -0.063,638 0.139,639 -0.078,640 0.123,641 -0.07,642 0.039,643 -0.112,644 -0.088,645 0.13,646 0.03,647 -0.26,648 -0.191,649 0.062,650 -0.007,651 -0.183,652 -0.162,653 -0.2,654 -0.128,655 -0.136,656 -0.177,657 1.588,658 5.249,659 0.64,660 24.531,661 1.001,662 1.131,663 2.316,664 5.362,665 0.67,666 3.332,667 3.664,668 3.829,669 4.007,670 4.078,671 4.078,672 4.078,673 4.174,674 4.248,675 4.317,676 7.128,677 0.615,678 380.59,679 3.332,680 4.875,681 5.694,682 6.561,683 7.397,684 8.262,685 9.104,686 9.968,687 10.814,688 11.676,689 8.2,691 1,696 1,699 2,704 2,705 2,707 1,708 1,709 4,711 10,731 49,733 11,735 27,737 51,738 17,739 6,746 3,747 3,752 3,753 1,755 2,756 1,758 2,761 7,762 10,763 1,766 1,771 1,775 1,777 1,778 1,781 24,782 6,783 2,784 8,785 2,790 4,794 1,795 2,799 1,811 2,812 1,826 1,835 1,840 3,841 1,842 2,844 3,848 25,854 5,855 2,857 1,858 1,860 1,863 1,870 4.1,873 1,875 1,877 13.25,878 9.567,879 5.361,880 2.963,881 1.801,882 1.259,883 0.938,884 6.182,885 8.746,886 3.526,887 4.052,888 4.486,889 4.95,890 5.048,891 5.236,892 5.361,893 5.659,894 5.968,895 6.285,896 0.875,897 32,898 9.286,900 3.894,901 7.643,902 18.061,904 14.9,905 2.143,906 53.583,910 258.964,911 133.922,912 69.593,914 34.652,916 63.497,917 70.425,918 293.617,919 69.593,920 26.476,921 28.191,922 18.011,923 91.983,924 28.103,925 5.449,926 298.919,928 258.964,929 140.017,930 34.652,931 63.497,933 211.88,934 81.737,937 96.293,938 10.153,939 33.571,940 63.497,941 258.964,942 104.245,943 133.922,946 258.964,947 89.352,948 44.57,949 36.022,950 68.223,951 258.964,952 104.245,953 133.922,955 0.59,956 0.321,957 0.158,958 0.079,959 18,960 8,961 0.118,962 6,964 1,965 3.82,966 192.522,968 16,969 107.342,970 2,974 18.869,975 8.191,976 5.284,978 104.245,979 3.591,980 8.642,982 5.797,983 1.492,984 3.302,986 36.022,987 497.131,988 33,993 12.249,997 0.079,999 49.051,1000 55.404,1001 0.304,1002 0.625,1003 0.792,1004 0.799,1005 0.799,1006 0.799,1007 4.783,1008 1.036,1009 5.714,1010 3.835,1011 4.344,1012 4.736,1013 3.36,1014 6.518,1015 4.218,1016 5.978,1017 1,1018 7.28,1019 2.476,1020 4.111,1021 4.575,1022 1.593,1023 7.644,1024 4.011,1025 7.285,1026 0.756,1027 8.959,1028 2.136,1029 5.994,1030 6.808,1031 5.512,1032 10.597,1033 5.803,1034 8.625,1035 0.692,1036 10.709,1037 1.811,1038 6.567,1039 7.459,1040 3.032,1041 12.55,1042 6.426,1043 9.999,1044 0.447,1045 12.506,1046 1.686,1047 7.971,1048 9.173,1049 7.829,1050 15.115,1051 7.776,1052 11.393,1053 -0.353,1054 14.337,1055 1.109,1056 8.879,1057 10.182,1058 4.409,1059 17.376,1060 8.731,1061 12.803,1062 -0.75,1063 16.193,1064 -0.95,1065 10.122,1066 11.686,1067 10.185,1068 19.847,1069 9.95,1070 3.327,1071 -0.805,1072 18.069,1073 -1.619,1074 11.177,1075 12.866,1076 5.75,1077 22.226,1078 11.039,1079 2.864,1080 11.698,1081 19.961,1082 -2.339,1083 12.366,1084 14.279,1085 12.551,1086 24.679,1087 12.223,1088 2.662,1089 8.732,1090 21.866,1091 3.913,1092 13.489,1093 15.543,1094 7.068,1095 27.104,1096 13.367,1097 2.465,1098 7.783,1099 23.781,1100 3.744,1101 14.666,1102 16.917,1103 14.92,1104 29.556,1105 14.546,1106 1.995,1107 7.151,1108 25.704,1109 3.093,1110 15.821,1111 18.223,1112 8.374,1113 32,1114 15.715,1115 1.672,1116 5.721,1117 27.634,1118 3.018,1119 16.999,1120 19.581,1121 17.291,1122 34.454,1123 16.898,1124 1.423,1125 4.185,1126 29.57,1127 2.362,1128 18.171,1129 20.908,1130 9.674,1131 36.907,1132 18.079,1133 7787,1134 12486,1135 17.682,1136 32.841,1137 41.398,1138 44.023,1139 40.594,1140 40.509,1141 40.678,1142 49.121,1143 11.457,1144 116.645,1145 37.934,1146 5.469,1147 6.331,1148 6.92,1149 5.526,1150 5.327,1151 6.55,1152 6.545,1153 18.723,1154 5.255,1155 13.074,1156 1.533,1157 1.63,1158 1.503,1159 1.5,1160 1.507,1161 1.819,1162 0.424,1163 4.32,1164 1.405,1165 3.964,1166 3.99,1167 4.312,1168 3.884,1169 7.428,1170 3.831,1171 3.886,1172 3.93,1173 3.906,1174 3.753,1175 5.134,1176 3.747,1177 3.764,1178 3.794,1179 3.749,1180 3.699,1181 4.83,1182 3.664,1183 3.535,1184 3.595,1185 3.532,1186 3.378,1187 4.361,1188 3.366,1189 3.314,1190 3.363,1191 3.293,1192 3.065,1193 4.238,1194 3.085,1195 3.111,1196 3.206,1197 3.179,1198 2.941,1199 3.819,1200 2.91,1201 3.004,1202 3.067,1203 2.866,1204 2.914,1205 3.794,1206 2.849,1207 2.874,1208 3.009,1209 2.604,1210 2.618,1211 3.605,1212 2.57,1213 0.166,1214 0.164,1215 0.264,1216 0.16,1217 0.123,1218 4.469,1219 0.145,1220 4.438,1221 0.121,1222 7.118,1223 0.433,1224 4.324,1225 0.123,1226 3.327,1227 3.913,1228 3.272,1229 11.698,1230 3.319,1231 1.836,1232 1.783,1233 2.039,1234 2.019,1235 1.39,1236 2.029,1237 1.774,1238 1.732,1239 1.988,1240 1.925,1241 1.203,1242 1.946,1243 1.509,1244 1.505,1245 1.565,1246 1.655,1247 0.892,1248 1.66,1249 1.364,1250 1.316,1251 1.513,1252 1.637,1253 0.825,1254 1.607,1255 1.246,1256 1.213,1257 1.477,1258 1.411,1259 0.614,1260 1.429,1261 1.153,1262 1.064,1263 1.417,1264 1.376,1265 0.493,1266 1.411,1267 1.109,1268 1.062,1269 1.417,1270 1.353,1271 0.469,1272 1.343,1273 1.034,1274 0.988,1275 1.356,1276 1.239,1277 0.469,1278 1.308,1279 4.007,1281 5.333,1282 3.045,1283 6.817,1284 5.283,1285 8.367,1286 7.273,1287 9.953,1289 6.306,1295 4.242,1296 6.212,1298 1.619,1299 0.087,1301 -0.035,1305 30.157,1306 83.595,1307 171.927,1308 217.837,1309 219.837,1310 219.837,1311 219.837,1312 47.806,1313 6.945,1314 80.05,1315 133.59,1316 16,1317 12.228,1318 3.585,1319 2.807,1320 42.16,1321 108,1322 90,1323 0.189,1324 194.455,1325 329.18,1326 466.229,1327 9880,1329 17.864,1330 0.715,1331 0.657,1332 18.571,1333 16.428,1334 11.915,1335 0.441,1336 0.38,1337 8.514,1338 10.638,1339 8.023,1340 6.704,1341 12.777,1342 10.272,1343 11.476,1344 0.302,1345 0.249,1346 12.82,1347 9.461,1348 8.559,1349 0.19,1350 0.137,1351 10.051,1352 6.147,1353 6.671,1354 0.124,1355 0.079,1356 8.233,1357 4.261,1358 4.753,1359 0.082,1360 0.05,1361 6.206,1362 2.923,1363 0.307,1364 83.323,1365 0.238,1366 24.931,1367 0.49,1368 130,1369 373.148,1370 198.068,1371 396.987,1372 537,1373 372,1374 148,1375 362.019,1376 201.5,1377 392.607,1378 572.45,1379 366,1380 5}
{0 CHEMBL300138,1 1.463,2 13.769,3 4.534,4 20.558,5 151.757,6 7.583,7 0.578,8 4.333,9 4.449,10 3.937,11 3.93,12 5.403,13 3.909,14 4.891,15 5.057,16 4.336,17 4.371,18 5.922,19 4.332,20 5.159,21 5.356,22 4.405,23 4.538,24 6.128,25 4.466,26 5.263,27 5.477,28 4.438,29 4.597,30 6.268,31 4.508,32 5.31,33 5.525,34 4.491,35 4.613,36 6.325,37 4.532,38 5.321,39 5.528,40 4.488,41 4.613,42 6.389,43 4.535,44 5.332,45 5.549,46 4.383,47 4.562,48 6.387,49 4.469,50 5.254,51 5.487,52 4.229,53 4.439,54 6.266,55 4.338,56 0.024,57 1.003,58 13.098,59 5.962,60 8.409,61 7.762,62 0.268,63 1.73,64 25.55,65 10.038,66 25.517,67 13.473,68 0.279,69 2.148,70 35.731,71 14.257,72 33.073,73 19.155,74 0.361,75 2.339,76 40.757,77 16.439,78 61.46,79 22.531,80 0.425,81 2.439,82 43.258,83 16.985,84 51.945,85 23.08,86 0.414,87 2.432,88 43.587,89 16.945,90 64.64,91 22.641,92 0.47,93 2.42,94 45.411,95 17.217,96 83.853,97 22.682,98 0.493,99 2.205,100 43.594,101 15.829,102 86.688,103 20.961,104 10,105 66,106 0.225,107 0.565,108 0.719,109 0.796,110 0.832,111 0.85,112 3.694,113 0.897,114 -4.04,115 -3.99,116 -3.78,119 47.1,121 2,124 1,125 3,127 1,136 2,142 11,143 4,145 1,146 1,151 2,152 2,158 2,172 15,175 14,178 2,180 2,183 16,186 1,187 12,192 2,195 13,198 2,199 9,204 2,207 16,211 2,212 9,215 2,217 2,220 17,223 2,224 11,229 4,232 14,236 2,237 14,242 4,245 11,250 11,258 8,262 1,263 9,266 1,271 11,275 3072,276 26.999,277 26.999,278 26.999,279 26.999,280 26.999,281 23.554,282 25.266,283 15.774,284 27.369,285 22.269,286 22.269,287 22.269,288 22.269,289 22.269,290 16.942,291 30.58,292 7.522,293 22.853,294 4.625,295 2.421,296 1.418,297 0.917,298 0.688,299 0.57,300 4.42,305 1,306 1220,307 2.915,310 243.269,311 429.132,314 290.794,318 2.146,319 30.791,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 82.5,331 537,332 4.828,333 3.839,334 7.192,335 4.426,336 3.434,337 4.717,338 1.2,339 12.678,340 3.407,341 4.647,342 3.339,343 6.862,344 4.189,345 3.219,346 4.604,347 0.916,348 11.457,349 3.126,350 4.366,351 3.257,352 6.577,353 3.943,354 2.969,355 3.945,356 0.8,357 10.363,358 2.887,359 3.942,360 3.154,361 6.041,362 3.657,363 2.704,364 3.457,365 0.172,366 8.5,367 2.579,368 3.747,369 3.004,370 5.694,371 3.468,372 2.495,373 3.016,375 7.686,376 2.42,377 3.54,378 2.655,379 5.562,380 3.205,381 2.217,382 2.846,384 7.198,385 2.197,386 3.395,387 2.417,388 5.278,389 3.076,390 2.125,391 2.702,393 6.187,394 2.007,395 3.342,396 2.303,397 5.064,398 2.957,399 1.974,400 2.626,402 5.967,403 1.932,404 3.314,405 2.04,406 4.979,407 2.847,408 1.877,409 2.466,411 5.314,412 1.809,413 3.149,414 1.903,415 4.761,416 2.678,417 1.648,418 2.307,420 4.702,421 1.685,422 2.916,423 1.582,424 4.515,425 2.522,426 1.543,427 2.062,428 4.185,429 1.509,430 2.843,431 1.472,432 4.31,433 2.377,434 1.394,435 1.923,436 3.557,437 1.367,438 2.777,439 1.447,440 3.653,441 2.32,442 1.324,443 1.857,445 3.031,446 1.316,447 2.655,448 1.216,449 3.595,450 2.167,451 1.178,452 1.709,454 2.78,455 1.163,456 2.528,457 1.122,458 3.584,459 2.045,460 1.067,461 1.507,463 2.716,464 1.041,465 18.667,466 0.479,467 0.935,468 0.024,469 52.75,470 1.353,471 26.5,472 0.679,473 26.25,474 0.673,475 35.82,476 0.918,477 39.533,478 0.581,479 44.945,480 1.152,481 10.362,482 0.266,483 8.718,484 0.224,485 0.063,487 0.386,493 0.71,494 1.287,495 0.74,496 1.001,497 0.518,498 0.891,499 0.847,500 1.037,501 0.868,502 0.869,503 0.517,504 0.856,505 0.954,506 0.997,507 0.962,508 0.976,509 0.811,510 0.965,511 0.707,512 1.026,513 0.915,514 1.024,515 0.547,516 0.996,517 0.876,518 1.012,519 0.912,520 1.011,521 0.95,522 0.974,523 1.113,524 1.069,525 0.995,526 1.062,527 1.219,528 1.023,529 1.389,530 1.04,531 1.118,532 1.081,533 1.574,534 1.077,535 1.557,536 1.002,537 1.117,538 0.973,539 1.773,540 0.998,541 6,542 0.224,543 4.222,544 3.91,545 2.248,546 1.668,547 1.266,548 0.829,549 0.536,550 0.355,551 25302,552 59288,553 2.216,554 42.6,556 21,557 2,558 1,559 1,562 4,564 1.797,565 2.108,566 3.685,567 -0.434,573 99.456,574 1.463,575 3.666,576 4.67,577 5.17,578 5.4,579 5.518,580 3.214,581 4.978,582 5.251,583 3.876,584 2871.9,585 9.281,586 46468.6,591 413.947,592 1.296,593 5.233,594 0.133,595 0.005,596 0.064,597 0.057,598 0.032,599 0.023,600 0.018,601 0.013,602 0.01,603 0.007,604 0.362,605 0.33,606 0.75,607 0.42,608 215.456,609 -0.009,610 -0.177,611 0.072,612 -0.037,613 -0.013,614 0.015,615 0.023,616 0.077,617 0.02,618 0.073,619 0.06,620 0.054,621 -0.062,622 0.031,623 -0.026,625 -0.015,626 -0.004,627 0.107,628 -0.033,629 0.037,630 -0.032,631 0.187,632 -0.007,633 0.109,634 -0.018,635 0.061,636 -0.028,637 0.036,638 0.004,639 0.017,640 -0.079,641 -0.017,642 -0.081,643 0.011,644 -0.056,645 -0.106,646 -0.068,647 -0.112,648 -0.1,649 -0.101,650 -0.108,651 -0.195,652 -0.045,653 -0.08,654 0.008,655 -0.196,656 -0.02,657 2.008,658 6.339,659 0.897,660 45.945,661 0.997,662 1.116,663 2.809,664 7.892,665 0.692,666 3.829,667 4.205,668 4.575,669 4.949,670 5.226,671 5.394,672 5.642,673 5.844,674 5.976,675 6.127,676 7.828,677 0.66,678 515.66,679 3.829,680 5.407,681 6.304,682 7.225,683 8.143,684 9.073,685 10.002,686 10.938,687 11.872,688 12.812,689 7.4,692 1,696 1,697 2,699 1,703 4,704 14,705 1,709 3,710 2,711 26,731 68,733 29,734 2,735 45,737 74,738 32,739 21,740 4,741 8,742 4,746 7,747 9,755 3,758 3,761 25,762 7,766 3,771 2,775 4,781 29,782 5,783 1,784 7,790 5,792 1,794 0.714,795 2,805 1,807 2,811 3,812 4,815 2,832 2,836 1,840 5,844 1,848 39,854 5,855 1,858 1,859 1,870 2.9,873 2,877 18.5,878 12.633,879 8.333,880 4.229,881 5.129,882 1.545,883 1.059,884 5.952,885 14.546,886 4.127,887 4.787,888 5.474,889 6.159,890 6.731,891 7.14,892 7.666,893 8.146,894 8.471,895 8.912,896 1,897 69,898 14.516,900 6.465,901 7.62,902 28.163,904 24.475,905 2.12,906 82.667,910 329.591,911 185.506,912 41.719,914 50.29,917 185.506,918 379.881,919 41.719,920 8.396,921 29.397,922 122.334,923 88.256,924 36.615,925 27.83,926 294.278,928 329.591,929 227.225,930 50.29,933 282.506,934 97.374,937 48.124,938 162.316,939 16.786,941 329.591,942 92.009,943 185.506,946 329.591,947 45.729,948 146.7,949 18.011,950 67.075,951 329.591,952 92.009,953 185.506,955 0.588,956 0.359,957 0.213,958 0.12,959 36,960 15,961 0.068,962 5,963 2,964 1.114,965 4.812,966 430.55,967 0.114,968 35,969 198.131,974 24.081,975 9.639,976 4.117,977 4.061,978 88.21,979 28.156,980 4.485,984 2.688,985 4.333,986 18.011,987 607.106,988 61,993 26.575,997 0.228,999 67.767,1000 75.893,1001 0.24,1002 0.602,1003 0.767,1004 0.849,1005 0.887,1006 0.906,1007 5.391,1008 1.974,1009 6.304,1010 6.187,1011 4.89,1012 5.476,1013 1.897,1014 7.194,1015 4.842,1016 6.62,1017 1.877,1018 7.904,1019 5.967,1020 4.511,1021 5.345,1022 0.325,1023 8.231,1024 4.439,1025 7.952,1026 1.648,1027 9.607,1028 5.314,1029 6.547,1030 7.765,1031 1.935,1032 11.422,1033 6.452,1034 9.326,1035 1.543,1036 11.375,1037 4.702,1038 7.04,1039 8.538,1040 0.393,1041 13.347,1042 6.927,1043 10.739,1044 1.394,1045 13.184,1046 4.185,1047 8.535,1048 10.415,1049 2.104,1050 16.059,1051 8.402,1052 12.181,1053 1.324,1054 15.023,1055 3.557,1056 9.425,1057 11.611,1058 0.384,1059 18.334,1060 9.28,1061 13.646,1062 1.178,1063 16.885,1064 3.031,1065 10.719,1066 13.275,1067 2.35,1068 20.9,1069 10.559,1070 3.434,1071 1.067,1072 18.763,1073 2.78,1074 11.786,1075 14.663,1076 0.351,1077 23.313,1078 11.617,1079 3.219,1080 12.678,1081 20.654,1082 2.716,1083 13.01,1084 16.244,1085 2.642,1086 25.836,1087 12.829,1088 2.969,1089 11.457,1090 22.557,1091 4.717,1092 14.153,1093 17.715,1094 0.312,1095 28.306,1096 13.964,1097 2.704,1098 10.363,1099 24.468,1100 4.604,1101 15.357,1102 19.266,1103 2.962,1104 30.819,1105 15.159,1106 2.495,1107 8.5,1108 26.386,1109 3.945,1110 16.535,1111 20.774,1112 0.273,1113 33.314,1114 16.329,1115 2.217,1116 7.686,1117 28.31,1118 3.457,1119 17.737,1120 22.314,1121 3.298,1122 35.828,1123 17.523,1124 2.125,1125 7.198,1126 30.239,1127 3.016,1128 18.931,1129 23.838,1130 0.236,1131 38.337,1132 18.711,1133 22801,1134 35103,1135 31.035,1136 47.074,1137 70.136,1138 71.333,1139 71.263,1140 69.338,1141 69.375,1142 92.678,1143 6.178,1144 209.407,1145 67.753,1146 5.828,1147 5.839,1148 6.994,1149 5.47,1150 5.434,1151 7.717,1152 2.4,1153 20.534,1154 5.407,1155 14.388,1156 1.559,1157 1.585,1158 1.584,1159 1.541,1160 1.542,1161 2.06,1162 0.137,1163 4.653,1164 1.506,1165 4.212,1166 4.241,1167 4.181,1168 4.13,1169 7.45,1170 4.139,1171 4.102,1172 4.137,1173 4.065,1174 4.016,1175 7.408,1176 4.024,1177 3.908,1178 3.958,1179 3.835,1180 3.787,1181 4.962,1182 3.792,1183 3.782,1184 3.822,1185 3.743,1186 3.645,1187 4.892,1188 3.658,1189 3.738,1190 3.773,1191 3.637,1192 3.615,1193 4.881,1194 3.616,1195 3.444,1196 3.511,1197 3.33,1198 3.292,1199 4.356,1200 3.294,1201 3.383,1202 3.446,1203 3.287,1204 3.213,1205 4.317,1206 3.226,1207 3.17,1208 3.235,1209 3.04,1210 3.03,1211 4.214,1212 3.023,1213 0.107,1214 0.085,1215 0.16,1216 0.098,1217 0.076,1218 4.828,1219 0.105,1220 3.839,1221 0.027,1222 7.192,1223 0.282,1224 4.426,1225 0.076,1226 3.434,1227 4.717,1228 1.2,1229 12.678,1230 3.407,1231 1.968,1232 1.948,1233 2.083,1234 2.091,1235 1.434,1236 2.092,1237 1.94,1238 1.911,1239 2.038,1240 2.027,1241 1.2,1242 2.031,1243 1.877,1244 1.833,1245 2.005,1246 1.995,1247 1.146,1248 1.999,1249 1.797,1250 1.755,1251 1.938,1252 1.926,1253 1.044,1254 1.933,1255 1.681,1256 1.645,1257 1.798,1258 1.827,1259 0.946,1260 1.822,1261 1.492,1262 1.44,1263 1.654,1264 1.69,1265 0.825,1266 1.677,1267 1.299,1268 1.245,1269 1.513,1270 1.594,1271 0.794,1272 1.535,1273 1.26,1274 1.213,1275 1.506,1276 1.492,1277 0.691,1278 1.494,1279 4.511,1281 5.872,1282 3.434,1283 7.431,1284 5.938,1285 9.078,1286 8.138,1287 10.775,1289 1.965,1295 4.823,1296 2.587,1299 0.311,1300 2.454,1305 44.858,1306 99.456,1307 249.288,1308 317.529,1309 351.583,1310 367.193,1311 375.193,1312 63.491,1313 9.417,1314 75.92,1315 75.92,1316 39,1317 13.309,1318 4.907,1319 4.087,1320 50.379,1321 178,1322 229,1323 0.135,1324 266.952,1325 456.76,1326 643.123,1327 199345,1329 26.509,1330 0.68,1331 0.559,1332 26.509,1333 21.801,1334 19.081,1335 0.424,1336 0.299,1337 13.3,1338 18.516,1339 13.005,1340 10.704,1341 19.081,1342 13.449,1343 17.53,1344 0.266,1345 0.159,1346 17.53,1347 10.5,1348 15.698,1349 0.164,1350 0.085,1351 15.698,1352 8.17,1353 14.368,1354 0.103,1355 0.045,1356 14.368,1357 6.292,1358 12.105,1359 0.065,1360 0.025,1361 12.105,1362 4.594,1363 0.211,1364 118.309,1365 0.18,1366 34.804,1367 0.375,1368 222,1369 560.384,1370 237.114,1371 552.222,1372 777.99,1373 520,1374 273,1375 592.442,1376 289.671,1377 604.965,1378 899.54,1379 572,1380 5}
{0 CHEMBL31965,1 1.772,2 13.382,3 4.038,4 16.303,5 128.881,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.727,15 4.89,16 4.185,17 4.051,18 5.872,19 4.039,20 4.974,21 5.173,22 4.295,23 4.187,24 6.14,25 4.149,26 4.987,27 5.209,28 4.153,29 4.174,30 6.024,31 4.1,32 4.981,33 5.213,34 4.15,35 4.173,36 6.025,37 4.098,38 4.966,39 5.177,40 4.196,41 4.161,42 6.05,43 4.111,44 4.953,45 5.157,46 4.23,47 4.162,48 6.137,49 4.106,50 4.887,51 5.09,52 4.185,53 4.122,54 6.058,55 4.065,56 0.126,57 0.934,58 10.471,59 5.109,60 13.648,61 6.243,62 0.499,63 1.442,64 22.228,65 8.341,66 37.702,67 10.315,68 0.855,69 1.704,70 34.269,71 10.812,72 80.994,73 13.657,74 0.767,75 1.674,76 34.53,77 11.419,78 69.915,79 15.23,80 0.746,81 1.619,82 35.318,83 11.901,84 69.817,85 16.304,86 0.759,87 1.615,88 32.606,89 10.923,90 68.483,91 14.343,92 0.913,93 1.625,94 32.179,95 10.748,96 81.979,97 14.076,98 0.567,99 1.61,100 30.95,101 10.087,102 61.965,103 13.165,104 20,105 50,106 0.287,107 0.648,108 0.808,109 0.875,110 0.875,111 0.875,112 3.56,113 0.915,114 -4.06,115 -4.01,116 -3.8,119 40.7,121 1,125 6,134 1,135 1,142 5,143 1,144 5,146 1,147 1,148 1,158 1,172 3,174 1,175 7,178 2,180 5,183 3,186 1,187 4,190 1,192 5,195 3,198 2,199 5,202 1,204 2,207 5,211 1,212 5,215 2,216 1,217 1,220 7,223 1,224 6,227 1,232 7,236 3,237 5,240 2,242 3,245 3,249 1,250 7,255 3,258 2,262 1,263 5,268 1,271 2,275 2324,276 23.162,277 23.162,278 23.162,279 23.162,280 23.162,281 20.866,282 31.688,283 13.905,284 23.947,285 18.231,286 18.231,287 18.231,288 18.231,289 18.231,290 14.648,291 45.905,292 6.598,293 19.543,294 4.11,295 1.881,296 0.892,297 0.475,298 0.475,299 0.475,300 4.258,301 1,305 1,306 975,307 3.808,311 419.253,315 162.198,318 2.369,319 42.335,322 1,323 0.83,324 0.83,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75.333,331 455,332 4.578,333 3.49,334 6.588,335 4.109,336 3.141,337 4.514,338 1.058,339 10.55,340 3.039,341 4.219,342 3.311,343 6.08,344 3.767,345 2.839,346 3.872,347 0.86,348 8.858,349 2.628,350 4.026,351 3.2,352 5.947,353 3.624,354 2.682,355 3.519,356 0.86,357 8.306,358 2.514,359 3.662,360 2.907,361 5.367,362 3.437,363 2.521,364 2.973,365 0.8,366 6.965,367 2.307,368 3.536,369 2.874,370 5.34,371 3.273,372 2.296,373 2.822,374 0.4,375 6.809,376 2.234,377 3.518,378 2.464,379 5.068,380 3.124,381 2.174,382 2.647,384 6.047,385 2.017,386 3.314,387 2.186,388 4.926,389 2.828,390 1.867,391 2.521,393 5.516,394 1.782,395 3.009,396 2.125,397 4.446,398 2.618,399 1.693,400 2.227,402 4.366,403 1.555,404 2.82,405 2.062,406 4.041,407 2.447,408 1.533,409 1.948,411 3.523,412 1.4,413 2.725,414 1.929,415 3.907,416 2.319,417 1.414,418 1.765,420 3.368,421 1.217,422 2.575,423 1.494,424 3.697,425 2.251,426 1.356,427 1.58,428 3.08,429 1.203,430 2.308,431 1.342,432 3.457,433 2.085,434 1.154,435 1.296,436 2.637,437 1.064,438 2.199,439 1.256,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 0.868,449 3.194,450 1.503,451 0.571,452 0.716,454 1.385,455 0.527,456 1.723,457 0.794,458 2.905,459 1.345,460 0.383,461 0.507,463 0.771,464 0.363,465 16,466 0.471,467 0.729,468 0.021,469 43.5,470 1.279,471 20.5,472 0.603,473 23,474 0.676,475 29.189,476 0.859,477 37.4,478 0.634,479 36.241,480 1.066,481 8.856,482 0.26,483 7.673,484 0.226,485 0.115,487 0.306,491 1,493 0.748,494 1.32,495 0.63,496 1.102,497 0.586,498 0.954,499 1.008,500 1.076,501 0.783,502 0.934,503 0.635,504 0.91,505 1.065,506 1.051,507 0.919,508 0.94,509 0.822,510 0.936,511 0.86,512 0.942,513 0.885,514 0.975,515 0.793,516 1.005,517 0.607,518 0.749,519 0.766,520 0.917,521 0.512,522 0.902,523 0.95,524 0.909,525 0.777,526 0.895,527 0.762,528 0.912,529 0.889,530 0.869,531 0.835,532 0.847,533 0.801,534 0.917,535 0.923,536 1.137,537 1.037,538 1.107,539 0.996,540 1.072,541 6.5,542 0.252,543 3.333,544 1.688,545 1.942,546 0.847,547 0.889,548 0.628,549 0.447,550 0.319,551 17155,552 54173,553 2.077,554 42.4,556 20,558 1,559 2,562 2,564 1.763,565 1.962,566 3.68,567 0.235,573 104.576,574 1.772,575 4.002,576 4.991,577 5.408,578 5.408,579 5.408,580 3.253,581 4.771,582 5.051,583 3.881,584 2176.99,585 8.882,586 34026.1,591 347.076,592 1.333,593 5.026,594 0.176,595 0.007,596 0.067,597 0.032,598 0.042,599 0.018,600 0.018,601 0.013,602 0.01,603 0.008,604 0.39,605 0.33,606 0.88,607 0.962,608 183.346,609 -0.062,610 -0.212,611 0.03,612 -0.1,613 -0.042,614 -0.021,615 -0.092,616 -0.051,617 0.002,618 0.018,619 0.023,620 0.01,621 -0.06,622 -0.05,623 0.006,624 0.02,625 0.057,626 0.012,627 -0.019,628 -0.011,629 -0.01,630 -0.013,631 -0.027,632 -0.02,633 0.126,634 0.083,635 0.111,636 0.054,637 0.107,638 0.112,639 -0.047,640 -0.014,641 0.05,642 0.055,643 -0.035,644 0.058,645 0.054,646 0.037,647 0.044,648 0.105,649 0.051,650 0.041,651 -0.084,652 -0.148,653 -0.064,654 -0.132,655 -0.047,656 -0.106,657 2.176,658 5.52,659 0.647,660 43.765,661 1.018,662 1.135,663 2.83,664 8.01,665 0.671,666 3.638,667 3.932,668 4.174,669 4.407,670 4.682,671 4.745,672 4.898,673 5.056,674 5.176,675 5.231,676 7.881,677 0.648,678 485.99,679 3.638,680 5.165,681 5.999,682 6.86,683 7.715,684 8.584,685 9.45,686 10.325,687 11.197,688 12.077,689 8.5,692 1,696 1,697 1,699 2,703 2,704 6,705 2,709 6,711 17,724 1,729 1,730 2,731 59,733 19,734 2,735 37,737 62,738 24,739 14,740 7,741 5,742 3,746 4,747 5,748 1,758 1,761 17,762 7,766 2,767 1,771 1,773 1,775 1,779 1,781 25,782 9,783 2,784 10,785 1,790 5,794 0.75,795 3,806 1,812 4,816 1,826 1,830 1,831 1,836 1,839 1,840 3,845 1,846 1,848 34,854 7,855 2,856 2,859 1,869 2,870 5.1,873 1,874 1,875 1,877 17.333,878 10.469,879 7.611,880 3.466,881 3.428,882 1.428,883 0.979,884 8.298,885 11.435,886 3.882,887 4.443,888 4.999,889 5.558,890 6.177,891 6.501,892 6.928,893 7.391,894 7.808,895 8.012,896 1,897 52,898 12.575,900 5.326,901 7.9,902 23.634,904 18.979,905 2.4,906 81.611,910 270.735,911 139,912 72.717,913 39.149,914 47.145,915 14.96,917 139,918 357.029,919 87.677,921 56.406,922 56.857,923 86.192,924 68.849,925 17.288,926 258.964,927 39.149,928 270.735,929 211.717,930 62.105,931 39.149,933 262.153,934 59.687,935 11,937 72.537,938 96.132,939 82.196,941 285.695,942 119.862,943 178.149,946 270.735,947 57.757,948 68.6,949 36.022,950 150.591,951 270.735,952 134.822,953 178.149,955 0.572,956 0.33,957 0.17,958 0.099,959 22,960 10,961 0.145,962 9,963 1,964 1.091,965 4.516,966 309.677,967 0.091,968 22,969 168.974,974 24.361,975 11.581,976 6.435,977 1.258,978 134.822,979 9.208,980 8.649,984 1.49,986 36.022,987 583.706,988 47.5,989 3.516,993 12.051,995 1.188,997 -0.366,999 60.047,1000 66.971,1001 0.301,1002 0.68,1003 0.848,1004 0.919,1005 0.919,1006 0.919,1007 5.107,1008 1.693,1009 5.964,1010 5.516,1011 4.615,1012 5.13,1013 2.012,1014 6.732,1015 4.485,1016 6.29,1017 1.533,1018 7.495,1019 4.366,1020 4.111,1021 4.945,1022 0.325,1023 7.535,1024 3.918,1025 7.583,1026 1.414,1027 9.125,1028 3.523,1029 6.168,1030 7.319,1031 1.826,1032 10.626,1033 5.935,1034 8.912,1035 1.356,1036 10.813,1037 3.368,1038 6.479,1039 7.982,1040 0.268,1041 12.263,1042 6.191,1043 10.276,1044 1.154,1045 12.54,1046 3.08,1047 7.986,1048 9.841,1049 1.742,1050 14.865,1051 7.661,1052 11.663,1053 1,1054 14.293,1055 2.637,1056 8.694,1057 10.914,1058 0.188,1059 16.873,1060 8.322,1061 13.07,1062 0.571,1063 16.065,1064 2.136,1065 9.967,1066 12.562,1067 1.707,1068 19.301,1069 9.561,1070 3.141,1071 0.383,1072 17.853,1073 1.385,1074 10.877,1075 13.844,1076 0.125,1077 21.484,1078 10.432,1079 2.839,1080 10.55,1081 19.653,1082 0.771,1083 12.05,1084 15.4,1085 1.708,1086 23.849,1087 11.573,1088 2.682,1089 8.858,1090 21.463,1091 4.514,1092 13.062,1093 16.788,1094 0.082,1095 26.115,1096 12.553,1097 2.521,1098 8.306,1099 23.281,1100 3.872,1101 14.195,1102 18.306,1103 1.735,1104 28.461,1105 13.656,1106 2.296,1107 6.965,1108 25.106,1109 3.519,1110 15.26,1111 19.748,1112 0.054,1113 30.768,1114 14.692,1115 2.174,1116 6.809,1117 26.938,1118 2.973,1119 16.38,1120 21.251,1121 1.783,1122 33.11,1123 15.785,1124 1.867,1125 6.047,1126 28.775,1127 2.822,1128 17.473,1129 22.721,1130 0.035,1131 35.438,1132 16.851,1133 16431,1134 29467,1135 24.849,1136 39.563,1137 54.543,1138 56.393,1139 55.64,1140 54.075,1141 53.92,1142 68.647,1143 7.957,1144 149.9,1145 50.172,1146 5.578,1147 5.49,1148 6.39,1149 5.212,1150 5.141,1151 7.514,1152 2.117,1153 17.491,1154 5.039,1155 16.082,1156 1.474,1157 1.524,1158 1.504,1159 1.461,1160 1.457,1161 1.855,1162 0.215,1163 4.051,1164 1.356,1165 4.085,1166 4.116,1167 4.077,1168 3.984,1169 8.201,1170 3.998,1171 3.89,1172 3.912,1173 3.982,1174 3.82,1175 7.43,1176 3.82,1177 3.821,1178 3.884,1179 3.698,1180 3.61,1181 5.088,1182 3.621,1183 3.643,1184 3.683,1185 3.588,1186 3.462,1187 4.858,1188 3.481,1189 3.539,1190 3.588,1191 3.433,1192 3.341,1193 4.692,1194 3.348,1195 3.366,1196 3.423,1197 3.333,1198 3.198,1199 4.638,1200 3.21,1201 3.118,1202 3.206,1203 3.237,1204 2.941,1205 4.619,1206 2.945,1207 3.111,1208 3.185,1209 3.013,1210 2.926,1211 4.368,1212 2.91,1213 0.124,1214 0.094,1215 0.178,1216 0.111,1217 0.085,1218 4.578,1219 0.122,1220 3.49,1221 0.029,1222 6.588,1223 0.285,1224 4.109,1225 0.082,1226 3.141,1227 4.514,1228 1.058,1229 10.55,1230 3.039,1231 2.013,1232 1.989,1233 2.064,1234 2.132,1235 1.292,1236 2.113,1237 1.856,1238 1.836,1239 1.976,1240 1.993,1241 1.193,1242 1.991,1243 1.754,1244 1.691,1245 1.925,1246 1.949,1247 1.069,1248 1.948,1249 1.57,1250 1.53,1251 1.776,1252 1.776,1253 1.033,1254 1.761,1255 1.504,1256 1.449,1257 1.744,1258 1.733,1259 0.825,1260 1.744,1261 1.313,1262 1.26,1263 1.513,1264 1.518,1265 0.566,1266 1.509,1267 1.153,1268 1.064,1269 1.445,1270 1.376,1271 0.499,1272 1.429,1273 1.041,1274 0.983,1275 1.27,1276 1.286,1277 0.396,1278 1.276,1279 4.317,1281 5.617,1283 7.112,1285 8.701,1287 10.342,1290 5.897,1291 13.52,1295 5.554,1296 5.913,1297 11.398,1300 2.334,1305 38.257,1306 104.576,1307 236.124,1308 294.447,1309 319.076,1310 319.076,1311 319.076,1312 70.861,1313 8.007,1314 88.61,1315 88.61,1316 24,1317 12.615,1318 4.322,1319 3.524,1320 56.733,1321 157,1322 178,1323 0.172,1324 237.63,1325 417.87,1326 571.578,1327 36201,1328 3.4,1329 23.916,1330 0.703,1331 0.567,1332 23.545,1333 19.277,1334 16.529,1335 0.447,1336 0.305,1337 10.725,1338 15.417,1339 10.537,1340 8.646,1341 16.407,1342 11.282,1343 14.513,1344 0.29,1345 0.162,1346 14.426,1347 8.098,1348 12.115,1349 0.189,1350 0.088,1351 11.715,1352 5.632,1353 9.491,1354 0.117,1355 0.047,1356 9.661,1357 3.771,1358 8.113,1359 0.076,1360 0.024,1361 8.022,1362 2.575,1363 0.271,1364 108.039,1365 0.201,1366 31.727,1367 0.466,1368 174,1369 619.122,1370 211.728,1371 590.4,1372 780.17,1373 552,1374 201,1375 533.473,1376 235.802,1377 539.07,1378 789.08,1379 507,1380 5}
{0 CHEMBL376984,1 1.834,2 8.579,3 1.997,4 3.987,5 71.469,6 10.085,7 0.524,8 3.459,9 3.522,10 3.333,11 3.114,12 4.758,13 3.105,14 3.9,15 3.974,16 3.753,17 3.453,18 5.276,19 3.439,20 4.014,21 4.13,22 3.542,23 3.379,24 5.332,25 3.35,26 3.893,27 4.024,28 3.435,29 3.228,30 5.339,31 3.205,32 3.818,33 3.954,34 3.373,35 3.193,36 5.142,37 3.145,38 3.694,39 3.836,40 3.124,41 3.031,42 5.06,43 2.984,44 3.496,45 3.675,46 2.943,47 2.849,48 4.74,49 2.759,50 3.272,51 3.398,52 2.964,53 2.712,54 4.63,55 2.647,56 0.106,57 0.372,58 2.489,59 2.233,60 8.227,61 1.906,62 0.241,63 0.594,64 5.535,65 3.669,66 16.989,67 3.078,68 0.34,69 0.619,70 10.737,71 4.989,72 36.03,73 4.162,74 0.383,75 0.547,76 8.012,77 4.008,78 48.744,79 3.732,80 0.341,81 0.522,82 8.498,83 4.001,84 30.467,85 3.878,86 0.31,87 0.46,88 7.295,89 3.395,90 27.396,91 3.13,92 0.198,93 0.386,94 6.361,95 2.962,96 27.116,97 3.017,98 0.133,99 0.334,100 6.966,101 2.64,102 15.944,103 2.293,104 5,105 29,106 0.351,107 0.671,108 0.824,109 0.895,110 0.909,111 0.909,112 3.01,113 0.899,114 -2.12,115 -2.16,116 -2.14,119 48.1,135 1,138 1,142 4,143 1,145 2,152 2,158 1,159 1,172 3,175 7,178 2,180 1,183 4,187 4,192 1,195 3,198 2,199 4,207 4,211 1,212 2,215 1,217 1,220 3,223 1,224 3,229 1,232 2,237 2,242 1,245 1,250 3,255 1,258 1,262 1,263 2,266 1,268 1,275 403,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 11.142,282 5.141,283 7.688,284 13.151,285 10.399,286 10.399,287 10.399,288 10.399,289 10.399,290 7.709,291 3.8,292 3.704,293 10.809,294 2.921,295 1.246,296 0.444,297 0.074,300 3.687,304 1,305 1,306 353,307 2,310 103.905,311 61.848,318 1.435,319 23.053,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42,331 163,332 4.346,333 4.802,334 6.205,335 3.955,336 2.982,337 3.989,338 4.337,339 9.311,340 2.928,341 4.195,342 3.599,343 6.122,344 3.824,345 2.861,346 3.601,347 1.058,348 8.985,349 2.719,350 3.739,351 3.116,352 5.298,353 3.326,354 2.338,355 3.208,356 0.508,357 6.793,358 2.304,359 3.359,360 2.907,361 4.763,362 2.863,363 1.885,364 2.549,366 5.145,367 1.799,368 3.126,369 2.33,370 4.358,371 2.663,372 1.682,373 2.315,375 4.21,376 1.639,377 2.789,378 1.717,379 4.086,380 2.24,381 1.293,382 1.784,384 3.431,385 1.203,386 2.5,387 1.513,388 3.482,389 1.986,390 1.026,391 1.5,393 2.568,394 0.971,395 2.47,396 1.1,397 3.265,398 1.954,399 1,400 1.416,402 2.136,403 0.95,404 2.166,405 1,406 3.247,407 1.672,408 0.674,409 1.002,411 1.653,412 0.672,413 1.183,414 0.802,415 2.835,416 0.765,417 -0.162,418 -0.207,420 -0.469,421 -0.148,422 1,423 0.679,424 2.256,425 0.489,426 -0.59,427 -0.844,428 -1.354,429 -0.612,430 0.748,431 0.183,432 2,433 0.288,434 -0.682,435 -0.944,436 -1.567,437 -0.662,438 0.5,439 -0.556,440 1.849,441 0.063,442 -0.946,443 -1.216,445 -2.347,446 -0.918,447 0.447,448 -0.702,449 1.555,450 -0.026,451 -1,452 -1.5,454 -2.475,455 -0.974,456 0.062,457 -1,458 1.429,459 -0.405,460 -1.403,461 -1.973,463 -3.79,464 -1.378,465 9.133,466 0.481,467 0.452,468 0.024,469 27,470 1.421,471 14.5,472 0.763,473 12.5,474 0.658,475 11.068,476 0.583,477 19.067,478 0.706,479 17.079,480 0.899,481 5.48,482 0.288,483 3.741,484 0.197,485 0.073,487 0.328,493 0.735,494 1.03,495 0.642,496 0.797,497 0.557,498 0.723,499 0.688,500 1.063,501 0.767,502 1.036,503 0.598,504 0.912,505 1.209,506 1.061,507 1.142,508 1.17,509 1.056,510 1.113,511 0.901,512 0.876,513 0.776,514 0.888,515 0.611,516 0.991,517 0.786,518 0.936,519 0.943,520 0.942,521 0.659,522 0.975,523 0.941,524 0.972,525 1.031,526 0.945,527 0.902,528 1.081,529 0.907,530 0.875,531 0.904,532 0.835,533 1.153,534 0.977,535 0.891,536 1.421,537 1.498,538 1.497,539 1.083,540 1.085,541 4,542 0.037,543 1.778,544 1.451,545 0.521,546 0.469,547 0.239,548 0.178,549 0.116,550 0.079,551 3505,552 12910,553 2.113,554 29.6,556 5,558 2,559 1,564 1.598,565 2,566 3.104,567 -0.198,571 1,573 49.521,574 1.834,575 3.509,576 4.31,577 4.681,578 4.755,579 4.755,580 2.505,581 3.827,582 4.222,583 3.227,584 551.748,585 7.167,586 5461.39,587 1,588 1,590 1,591 128.382,592 1.324,593 4.189,594 0.19,595 0.007,596 0.061,597 0.06,598 0.025,599 0.023,600 0.015,601 0.015,602 0.01,603 0.008,604 0.415,605 0.67,606 1,607 0.565,608 82.961,609 -0.092,610 -0.056,611 0.03,612 0.032,613 -0.071,614 0.032,615 0.103,616 -0.067,617 0.075,618 -0.119,619 0.024,620 -0.108,621 -0.193,622 -0.161,623 -0.166,624 -0.184,625 -0.139,626 -0.144,627 0.12,628 0.032,629 0.076,630 -0.001,631 0.201,632 -0.021,633 0.157,635 0.042,636 0.035,637 0.07,638 0.034,639 0.011,640 -0.038,641 -0.127,642 -0.027,643 0.007,644 -0.088,645 -0.091,646 0.066,647 0.139,648 0.16,649 -0.114,650 0.138,651 -0.075,652 -0.38,653 -0.093,654 -0.245,655 -0.048,656 -0.034,657 2.061,658 4.393,659 0.842,660 13.38,661 1.034,662 1.103,663 0.885,664 0.784,665 0.752,666 3.091,667 3.401,668 3.638,669 3.892,670 3.951,671 3.912,672 4.043,673 4.111,674 4.143,675 4.111,676 5.159,677 0.739,678 272.3,679 3.091,680 4.615,681 5.451,682 6.319,683 7.171,684 8.041,685 8.899,686 9.769,687 10.631,688 11.501,689 7.4,696 1,699 1,704 6,705 1,707 1,709 3,711 11,731 27,733 14,735 21,737 29,738 13,739 9,742 3,746 3,747 3,761 13,766 3,771 2,773 1,775 3,778 1,780 1,781 8,782 5,783 1,784 6,785 1,790 2,792 1,794 1,795 3,805 1,811 2,812 1,831 2,837 1,840 3,842 1,848 19,855 1,857 1,870 11.1,873 2,875 1,877 9.5,878 4.95,879 4.139,880 1.467,881 2.744,882 1.423,883 1.008,884 3.133,885 9.23,886 3.418,887 3.984,888 4.518,889 5.076,890 5.463,891 5.725,892 6.155,893 6.515,894 6.804,895 7.028,896 0.833,897 24,898 6.979,900 3.018,901 8.07,902 12.836,904 10.34,905 2.57,906 48.833,910 82.398,911 121.104,912 34.796,914 59.797,916 32.22,917 88.884,918 142.195,919 34.796,921 18.011,922 47.381,923 96.873,924 30.788,925 13.967,926 91.075,928 82.398,929 123.681,930 59.797,931 32.22,933 82.398,934 59.797,937 36.106,938 59.763,939 27.813,940 32.22,941 82.398,942 94.593,943 121.104,946 82.398,947 55.628,948 65.476,949 18.011,950 76.583,951 82.398,952 94.593,953 121.104,955 0.58,956 0.332,957 0.182,958 0.09,959 15,960 6,961 0.069,962 2,964 1,965 3.253,966 137.101,968 16,969 80.711,970 1,974 12.055,975 4.938,976 2.56,978 94.593,979 10.601,980 4.007,982 5.594,984 2.035,986 18.011,987 298.095,988 29.5,993 22.425,995 1.546,997 -0.429,999 27.913,1000 29.79,1001 0.386,1002 0.738,1003 0.907,1004 0.984,1005 1,1006 1,1007 4.632,1008 1,1009 5.425,1010 2.568,1011 4.078,1012 4.668,1013 3.666,1014 6.196,1015 4.009,1016 5.835,1017 0.674,1018 6.956,1019 2.136,1020 3.611,1021 4.35,1022 2.89,1023 6.969,1024 3.533,1025 7.13,1026 -0.162,1027 8.582,1028 1.653,1029 5.631,1030 6.79,1031 6.42,1032 10.051,1033 5.503,1034 8.459,1035 -0.59,1036 10.264,1037 -0.469,1038 5.994,1039 7.29,1040 6.24,1041 11.662,1042 5.848,1043 9.817,1044 -0.682,1045 11.982,1046 -1.354,1047 7.468,1048 9.172,1049 9.282,1050 14.213,1051 7.285,1052 11.196,1053 -0.946,1054 13.725,1055 -1.567,1056 8.211,1057 10.067,1058 9.437,1059 16.168,1060 8.003,1061 12.591,1062 -1,1063 15.486,1064 -2.347,1065 9.457,1066 11.695,1067 12.158,1068 18.52,1069 9.22,1070 2.982,1071 -1.403,1072 17.259,1073 -2.475,1074 10.379,1075 12.799,1076 12.55,1077 20.622,1078 10.113,1079 2.861,1080 9.311,1081 19.043,1082 -3.79,1083 11.526,1084 14.301,1085 15.039,1086 22.896,1087 11.236,1088 2.338,1089 8.985,1090 20.833,1091 3.989,1092 12.531,1093 15.519,1094 15.615,1095 25.061,1096 12.213,1097 1.885,1098 6.793,1099 22.629,1100 3.601,1101 13.637,1102 16.956,1103 17.926,1104 27.302,1105 13.295,1106 1.682,1107 5.145,1108 24.43,1109 3.208,1110 14.68,1111 18.239,1112 18.648,1113 29.497,1114 14.312,1115 1.293,1116 4.21,1117 26.234,1118 2.549,1119 15.769,1120 19.643,1121 20.819,1122 31.724,1123 15.379,1124 1.026,1125 3.431,1126 28.041,1127 2.315,1128 16.83,1129 20.963,1130 21.659,1131 33.932,1132 16.416,1133 3389,1134 6644,1135 14.216,1136 20.307,1137 32.093,1138 35.081,1139 32.082,1140 31.479,1141 31.479,1142 42.725,1143 11.807,1144 88.464,1145 30.371,1146 5.124,1147 6.802,1148 6.006,1149 5.047,1150 4.982,1151 6.989,1152 8.335,1153 15.633,1154 4.892,1155 7.482,1156 1.528,1157 1.671,1158 1.528,1159 1.499,1160 1.499,1161 2.035,1162 0.562,1163 4.213,1164 1.446,1165 4.009,1166 4.02,1167 4.085,1168 3.9,1169 7.449,1170 3.91,1171 3.787,1172 3.808,1173 3.906,1174 3.702,1175 7.409,1176 3.683,1177 3.634,1178 3.651,1179 3.623,1180 3.49,1181 5.093,1182 3.488,1183 3.039,1184 3.066,1185 3.037,1186 2.868,1187 4.823,1188 2.882,1189 2.83,1190 2.873,1191 2.902,1192 2.68,1193 4.138,1194 2.68,1195 2.756,1196 2.802,1197 2.671,1198 2.516,1199 3.814,1200 2.537,1201 2.69,1202 2.71,1203 2.602,1204 2.472,1205 3.663,1206 2.484,1207 2.257,1208 2.276,1209 2.307,1210 2.001,1211 3.623,1212 1.948,1213 0.207,1214 0.229,1215 0.295,1216 0.188,1217 0.142,1218 4.346,1219 0.19,1220 4.802,1221 0.207,1222 6.205,1223 0.443,1224 3.955,1225 0.139,1226 2.982,1227 3.989,1228 4.337,1229 9.311,1230 2.928,1231 1.847,1232 1.818,1233 1.951,1234 1.97,1235 0.999,1236 1.965,1237 1.638,1238 1.63,1239 1.716,1240 1.76,1241 0.831,1242 1.745,1243 1.352,1244 1.322,1245 1.49,1246 1.568,1247 0.55,1248 1.53,1249 1.233,1250 1.22,1251 1.296,1252 1.484,1253 0.235,1254 1.464,1255 1.045,1256 1.065,1257 1.109,1258 1.232,1259 0.163,1260 1.207,1261 0.75,1262 0.684,1263 0.99,1264 0.989,1266 1.009,1267 0.607,1268 0.542,1269 0.838,1270 0.846,1272 0.863,1273 0.291,1274 0.264,1275 0.531,1276 0.656,1278 0.625,1279 3.761,1281 5.069,1282 3.045,1283 6.547,1284 5.352,1285 8.098,1286 7.368,1287 9.689,1296 2.191,1298 0.863,1305 19.955,1306 49.521,1307 94.73,1308 116.382,1309 126.382,1310 128.382,1311 128.382,1312 28.905,1313 6.486,1314 75.96,1315 104.2,1316 16,1317 12.046,1318 3.907,1319 3.248,1320 27.948,1321 59,1322 50,1323 0.237,1324 126.58,1325 220.34,1326 300.615,1327 4982,1329 13.242,1330 0.697,1331 0.549,1332 13.596,1333 10.438,1334 9.22,1335 0.439,1336 0.3,1337 5.455,1338 8.371,1339 5.302,1340 4.377,1341 9.629,1342 6.29,1343 8.387,1344 0.289,1345 0.166,1346 9.115,1347 4.811,1348 6.818,1349 0.184,1350 0.089,1351 7.539,1352 3.299,1353 5.791,1354 0.121,1355 0.048,1356 6.559,1357 2.307,1358 4.098,1359 0.08,1360 0.025,1361 4.653,1362 1.263,1363 0.37,1364 62.284,1365 0.265,1366 19.137,1367 0.654,1368 100,1369 368.045,1370 139.367,1371 369.761,1372 495.66,1373 344,1374 116,1375 342.655,1376 148.18,1377 358.764,1378 524.4,1379 337,1380 6.201}
{0 CHEMBL377104,1 1.729,2 8.762,3 3.366,4 11.331,5 80.361,6 9.417,7 0.478,8 3.609,9 3.673,10 3.411,11 3.245,12 4.892,13 3.228,14 4.06,15 4.145,16 3.853,17 3.604,18 5.402,19 3.581,20 4.217,21 4.321,22 3.71,23 3.591,24 5.552,25 3.56,26 4.222,27 4.372,28 3.635,29 3.496,30 5.621,31 3.457,32 4.144,33 4.291,34 3.581,35 3.443,36 5.448,37 3.397,38 4.054,39 4.196,40 3.302,41 3.303,42 5.386,43 3.246,44 3.875,45 4.089,46 3.085,47 3.133,48 5.004,49 3.009,50 3.586,51 3.743,52 3.21,53 2.982,54 4.857,55 2.902,56 0.123,57 0.411,58 4.236,59 2.95,60 13.263,61 2.686,62 0.247,63 0.66,64 8.976,65 4.925,66 21.423,67 4.863,68 0.354,69 0.725,70 13.003,71 6.177,72 39.531,73 5.471,74 0.51,75 0.726,76 13.445,77 6.004,78 68.186,79 6.281,80 0.436,81 0.681,82 13.201,83 5.788,84 43.467,85 5.923,86 0.484,87 0.616,88 11.625,89 4.953,90 48.253,91 4.42,92 0.261,93 0.541,94 11.226,95 4.69,96 38.577,97 5.439,98 0.17,99 0.418,100 9.412,101 3.752,102 23.174,103 3.725,104 17,105 33,106 0.32,107 0.717,108 0.818,109 0.885,110 0.897,111 0.897,112 3.103,113 0.912,114 -2.9,115 -2.91,116 -2.81,119 46.9,120 1,135 1,138 1,142 5,143 2,144 1,152 2,158 1,159 1,172 6,175 5,178 2,180 3,183 9,187 3,192 3,195 7,198 1,199 4,202 1,204 2,207 5,211 1,212 3,215 1,217 3,220 6,223 1,224 2,229 2,232 5,237 2,242 1,245 3,250 2,255 2,258 2,263 3,266 1,267 1,268 2,271 2,275 498,276 13.826,277 13.826,278 13.826,279 13.826,280 13.826,281 12.012,282 9.723,283 7.986,284 14.067,285 11.349,286 11.349,287 11.349,288 11.349,289 11.349,290 8.508,291 6.433,292 3.831,293 11.735,294 3.271,295 1.121,296 0.574,297 0.211,298 0.149,299 0.149,300 3.776,303 1,304 1,305 1,306 393,307 2.236,310 115.2,311 69.581,318 1.438,319 29.063,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 46.5,331 184,332 4.432,333 4.802,334 6.484,335 4.048,336 3.06,337 4.125,338 4.337,339 10.102,340 3.026,341 4.253,342 3.599,343 6.148,344 3.869,345 2.925,346 3.703,347 1.058,348 9.086,349 2.752,350 3.908,351 3.132,352 5.463,353 3.496,354 2.508,355 3.396,356 0.508,357 7.228,358 2.47,359 3.485,360 3.104,361 4.988,362 3.115,363 2.123,364 2.791,366 5.875,367 2.102,368 3.346,369 2.581,370 4.838,371 2.879,372 1.906,373 2.529,375 5.302,376 1.816,377 3.129,378 2.333,379 4.716,380 2.724,381 1.737,382 2.294,384 4.884,385 1.69,386 2.777,387 1.914,388 4.135,389 2.238,390 1.287,391 1.765,393 3.534,394 1.204,395 2.473,396 1.521,397 3.864,398 1.993,399 1.023,400 1.423,402 2.804,403 0.977,404 2.173,405 1.09,406 3.276,407 1.683,408 0.686,409 1.014,411 1.675,412 0.683,413 1.369,414 0.803,415 2.875,416 1.05,417 0.102,418 0.123,420 0.226,421 0.095,422 1.175,423 0.705,424 2.559,425 0.754,426 -0.175,427 -0.223,428 -0.502,429 -0.16,430 1,431 0.471,432 2.366,433 0.488,434 -0.593,435 -0.842,436 -1.361,437 -0.619,438 0.69,439 0.177,440 2,441 0.289,442 -0.707,443 -0.917,445 -1.966,446 -0.702,447 0.448,448 -0.448,449 1.919,450 0.065,451 -0.946,452 -1.183,454 -2.433,455 -0.918,456 0.208,457 -0.583,458 1.831,459 -0.049,460 -1,461 -1.267,463 -2.654,464 -0.945,465 10.067,466 0.479,467 0.647,468 0.031,469 28.25,470 1.345,471 15,472 0.714,473 13.25,474 0.631,475 14.267,476 0.679,477 21.733,478 0.679,479 19.542,480 0.931,481 5.695,482 0.271,483 4.329,484 0.206,485 0.149,487 0.397,493 0.798,494 0.922,495 0.683,496 0.777,497 0.688,498 0.733,499 0.593,500 1.032,501 0.668,502 0.998,503 0.547,504 0.847,505 1.135,506 1.134,507 1.087,508 1.192,509 1.021,510 1.14,511 0.805,512 0.937,513 0.725,514 0.9,515 0.665,516 0.984,517 0.893,518 0.934,519 0.865,520 0.928,521 0.694,522 0.948,523 1.303,524 0.936,525 1.135,526 0.887,527 1.071,528 1.105,529 0.713,530 0.885,531 0.81,532 0.84,533 0.881,534 0.991,535 0.73,536 1.106,537 1.016,538 1.165,539 0.931,540 0.893,541 5.5,542 0.074,543 2.444,544 1.951,545 1.018,546 0.636,547 0.336,548 0.209,549 0.184,550 0.159,551 4375,552 15620,553 2.045,554 34.4,555 3,556 6,559 2,564 1.629,565 1.881,566 3.123,567 0.378,569 1,571 1,573 55.343,574 1.729,575 3.879,576 4.426,577 4.789,578 4.851,579 4.851,580 2.498,581 3.594,582 4.367,583 3.279,584 688.546,585 7.468,586 7348.47,587 1,588 1,589 1,590 1,591 160,592 1.51,593 4.305,594 0.239,595 0.008,596 0.074,597 0.067,598 0.039,599 0.025,600 0.018,601 0.015,602 0.012,603 0.011,604 0.509,605 0.5,606 1,607 0.665,608 94.971,609 -0.113,610 0.071,611 0.018,612 0.103,613 -0.119,614 0.078,615 0.145,616 -0.042,617 0.191,618 -0.044,619 0.068,620 0.032,621 -0.164,622 -0.214,623 -0.191,624 -0.238,625 -0.131,626 -0.225,627 0.16,628 -0.028,629 0.118,630 -0.018,631 0.156,633 0.084,634 -0.004,635 0.071,636 0.019,637 0.054,638 0.043,639 -0.192,640 0.005,641 -0.273,642 0.003,643 -0.138,644 -0.167,645 0.004,646 0.046,647 0.183,648 0.121,649 -0.033,650 0.132,651 0.044,652 -0.095,653 0.255,654 0.004,655 -0.016,656 0.179,657 2.096,658 4.462,659 0.762,660 15.537,661 1.028,662 1.104,663 1.673,664 2.799,665 0.727,666 3.178,667 3.526,668 3.761,669 4.025,670 4.127,671 4.094,672 4.205,673 4.277,674 4.331,675 4.369,676 5.409,677 0.709,678 301.34,679 3.178,680 4.727,681 5.572,682 6.457,683 7.319,684 8.202,685 9.072,686 9.953,687 10.826,688 11.706,689 3.1,696 1,704 5,707 1,709 5,711 11,728 1,731 32,733 14,734 1,735 23,737 34,738 15,739 10,740 3,741 3,742 3,746 3,747 3,752 1,761 14,762 1,766 3,771 2,773 1,775 3,777 1,778 1,780 1,781 11,782 5,783 2,784 6,785 1,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,844 1,848 21,853 1,855 1,857 1,870 12.5,872 1,873 2,875 1,877 11.167,878 6.117,879 4.5,880 1.751,881 2.821,882 1.42,883 0.971,884 3.615,885 9.542,886 3.481,887 4.09,888 4.626,889 5.195,890 5.622,891 5.901,892 6.294,893 6.666,894 6.969,895 7.262,896 0.833,897 29,898 7.748,900 3.39,901 8.127,902 14.216,904 11.583,905 2.627,906 55.167,910 105.94,911 124.496,912 18.011,914 102.481,916 32.22,917 92.277,918 208.42,919 18.011,920 8.825,921 18.011,922 56.857,923 99.229,924 15.878,925 13.967,926 138.159,928 105.94,929 110.287,930 102.481,931 32.22,933 105.94,934 102.481,937 26.836,938 72.424,939 11.027,940 32.22,941 105.94,942 120.491,943 124.496,946 105.94,947 58.814,948 65.683,949 18.011,950 102.481,951 105.94,952 120.491,953 124.496,955 0.594,956 0.34,957 0.183,958 0.095,959 17,960 8,961 0.059,962 2,964 1,965 3.336,966 160.185,968 16,969 92.239,970 1,974 13.984,975 5.428,976 2.89,978 120.491,979 8.604,982 5.61,984 2.642,986 60.694,987 350.927,988 31.5,993 22.551,995 1.501,997 -0.537,999 32.905,1000 35.332,1001 0.346,1002 0.776,1003 0.885,1004 0.958,1005 0.97,1006 0.97,1007 4.725,1008 1.023,1009 5.58,1010 3.534,1011 4.205,1012 4.775,1013 3.666,1014 6.385,1015 4.144,1016 5.956,1017 0.686,1018 7.14,1019 2.804,1020 3.892,1021 4.649,1022 2.89,1023 7.235,1024 3.807,1025 7.274,1026 0.102,1027 8.791,1028 1.675,1029 5.802,1030 6.949,1031 6.42,1032 10.314,1033 5.688,1034 8.623,1035 -0.175,1036 10.494,1037 0.226,1038 6.256,1039 7.586,1040 6.24,1041 11.972,1042 6.11,1043 9.999,1044 -0.593,1045 12.23,1046 -0.502,1047 7.673,1048 9.383,1049 9.282,1050 14.56,1051 7.508,1052 11.392,1053 -0.707,1054 13.99,1055 -1.361,1056 8.474,1057 10.383,1058 9.437,1059 16.571,1060 8.275,1061 12.8,1062 -0.946,1063 15.768,1064 -1.966,1065 9.698,1066 11.966,1067 12.158,1068 18.977,1069 9.482,1070 3.06,1071 -1,1072 17.56,1073 -2.433,1074 10.66,1075 13.151,1076 12.55,1077 21.144,1078 10.413,1079 2.925,1080 10.102,1081 19.363,1082 -2.654,1083 11.806,1084 14.635,1085 15.039,1086 23.48,1087 11.544,1088 2.508,1089 9.086,1090 21.176,1091 4.125,1092 12.842,1093 15.918,1094 15.615,1095 25.717,1096 12.554,1097 2.123,1098 7.228,1099 22.996,1100 3.703,1101 13.959,1102 17.356,1103 17.926,1104 28.026,1105 13.654,1106 1.906,1107 5.875,1108 24.823,1109 3.396,1110 15.029,1111 18.692,1112 18.648,1113 30.294,1114 14.703,1115 1.737,1116 5.302,1117 26.654,1118 2.791,1119 16.134,1120 20.11,1121 20.819,1122 32.595,1123 15.794,1124 1.287,1125 4.884,1126 28.49,1127 2.529,1128 17.221,1129 21.475,1130 21.659,1131 34.879,1132 16.863,1133 4288,1134 8263,1135 15.027,1136 23.278,1137 35.299,1138 38.691,1139 36.183,1140 34.713,1141 34.716,1142 46.325,1143 11.807,1144 101.433,1145 33.631,1146 5.209,1147 6.802,1148 5.807,1149 5.141,1150 5.06,1151 7.125,1152 8.335,1153 16.845,1154 5.026,1155 11.319,1156 1.535,1157 1.682,1158 1.573,1159 1.509,1160 1.509,1161 2.014,1162 0.513,1163 4.41,1164 1.462,1165 4.031,1166 4.037,1167 4.088,1168 3.943,1169 7.449,1170 3.949,1171 3.823,1172 3.836,1173 3.936,1174 3.75,1175 7.409,1176 3.735,1177 3.659,1178 3.669,1179 3.675,1180 3.529,1181 6.469,1182 3.519,1183 3.195,1184 3.257,1185 3.065,1186 3.026,1187 5.061,1188 3.02,1189 3.033,1190 3.061,1191 3.012,1192 2.859,1193 4.579,1194 2.87,1195 2.829,1196 2.857,1197 2.893,1198 2.676,1199 4.136,1200 2.679,1201 2.721,1202 2.717,1203 2.67,1204 2.485,1205 3.738,1206 2.503,1207 2.623,1208 2.692,1209 2.36,1210 2.314,1211 3.663,1212 2.304,1213 0.193,1214 0.209,1215 0.282,1216 0.176,1217 0.133,1218 4.432,1219 0.179,1220 4.802,1221 0.189,1222 6.484,1223 0.439,1224 4.048,1225 0.132,1226 3.06,1227 4.125,1228 4.337,1229 10.102,1230 3.026,1231 1.922,1232 1.905,1233 2.025,1234 2.007,1235 1.148,1236 2.012,1237 1.638,1238 1.63,1239 1.719,1240 1.761,1241 0.839,1242 1.745,1243 1.4,1244 1.372,1245 1.572,1246 1.569,1247 0.662,1248 1.563,1249 1.245,1250 1.226,1251 1.449,1252 1.543,1253 0.5,1254 1.505,1255 1.165,1256 1.129,1257 1.294,1258 1.376,1259 0.235,1260 1.396,1261 1.034,1262 1.032,1263 1.106,1264 1.229,1265 0.163,1266 1.205,1267 0.689,1268 0.64,1269 0.928,1270 0.939,1272 0.939,1273 0.541,1274 0.474,1275 0.824,1276 0.908,1278 0.91,1279 3.85,1281 5.187,1282 3.045,1283 6.688,1284 5.352,1285 8.266,1286 7.368,1287 9.888,1289 1.917,1294 9.87,1296 2.177,1298 0.831,1305 22.702,1306 55.343,1307 124.126,1308 141.635,1309 153.245,1310 155.245,1311 155.245,1312 39.828,1313 6.721,1314 83.3,1315 111.54,1316 16,1317 12.243,1318 3.907,1319 3.248,1320 32.275,1321 70,1322 58,1323 0.236,1324 142.966,1325 252.73,1326 340.598,1327 6662,1329 14.983,1330 0.713,1331 0.565,1332 15.336,1333 11.861,1334 10.025,1335 0.436,1336 0.304,1337 6.158,1338 9.183,1339 5.929,1340 4.916,1341 10.433,1342 6.991,1343 9.548,1344 0.289,1345 0.169,1346 10.277,1347 5.59,1348 7.628,1349 0.182,1350 0.09,1351 8.348,1352 3.77,1353 6.379,1354 0.116,1355 0.048,1356 7.147,1357 2.635,1358 4.774,1359 0.078,1360 0.025,1361 5.328,1362 1.542,1363 0.367,1364 67.189,1365 0.258,1366 20.784,1367 0.655,1368 112,1369 396.55,1370 152.083,1371 397.635,1372 531.08,1373 368,1374 131,1375 368.572,1376 163.675,1377 385.95,1378 565.55,1379 362,1380 6.301}
{0 CHEMBL377152,1 1.77,2 10.75,3 2.735,4 7.482,5 86.847,6 9.867,7 0.423,8 3.711,9 3.761,10 3.535,11 3.297,12 5.058,13 3.309,14 4.164,15 4.231,16 3.964,17 3.644,18 5.603,19 3.654,20 4.286,21 4.366,22 3.877,23 3.648,24 5.726,25 3.662,26 4.332,27 4.429,28 3.829,29 3.574,30 5.878,31 3.597,32 4.289,33 4.402,34 3.741,35 3.554,36 5.781,37 3.531,38 4.199,39 4.372,40 3.473,41 3.416,42 5.495,43 3.365,44 4,45 4.15,46 3.406,47 3.227,48 5.399,49 3.19,50 3.834,51 3.955,52 3.487,53 3.151,54 5.232,55 3.143,56 0.224,57 0.453,58 3.773,59 3.246,60 23.681,61 2.581,62 0.507,63 0.712,64 9.108,65 5.282,66 43.797,67 4.442,68 0.537,69 0.764,70 12.08,71 6.378,72 63.292,73 5.051,74 0.791,75 0.772,76 11.974,77 6.11,78 106.675,79 4.822,80 0.803,81 0.757,82 12.976,83 6.271,84 88.524,85 5.603,86 0.592,87 0.72,88 14.171,89 5.993,90 67.368,91 6.369,92 0.601,93 0.572,94 10.914,95 4.757,96 70.767,97 4.6,98 0.36,99 0.505,100 10.386,101 4.377,102 48.743,103 3.8,104 28,105 37,106 0.32,107 0.716,108 0.821,109 0.881,110 0.901,111 0.901,112 3.228,113 0.872,114 -2.36,115 -2.39,116 -2.35,119 45.7,124 1,135 1,138 1,142 5,143 2,144 1,152 2,158 2,159 1,172 5,174 1,175 7,178 2,180 3,183 7,187 7,192 3,195 5,198 1,199 6,202 1,204 2,207 5,211 1,212 4,215 3,217 2,220 5,223 1,224 2,229 2,232 4,236 2,237 4,242 1,245 2,250 4,255 2,258 2,263 5,266 1,267 1,268 2,271 1,275 804,276 15.903,277 15.903,278 15.903,279 15.903,280 15.903,281 14.05,282 10.562,283 9.125,284 16.301,285 12.738,286 12.738,287 12.738,288 12.738,289 12.738,290 9.686,291 7.061,292 4.249,293 13.23,294 3.359,295 1.161,296 0.582,297 0.25,298 0.136,299 0.136,300 3.902,303 1,304 1,305 1,306 544,307 3,310 141.889,311 82.39,318 1.833,319 40.558,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 54.5,331 258,332 4.445,333 4.802,334 6.489,335 4.062,336 3.074,337 4.14,338 4.337,339 10.105,340 3.038,341 4.266,342 3.653,343 6.149,344 3.879,345 2.933,346 3.751,347 1.674,348 9.091,349 2.778,350 4.067,351 3.599,352 5.999,353 3.706,354 2.716,355 3.496,356 1.058,357 8.488,358 2.664,359 3.757,360 3.12,361 5.429,362 3.371,363 2.388,364 3.127,365 0.508,366 7.079,367 2.338,368 3.365,369 3.078,370 4.882,371 2.886,372 1.913,373 2.535,375 5.389,376 1.822,377 3.119,378 2.544,379 4.719,380 2.711,381 1.724,382 2.26,384 4.886,385 1.676,386 2.847,387 1.981,388 4.149,389 2.376,390 1.414,391 1.945,393 3.547,394 1.346,395 2.778,396 1.798,397 4.074,398 2.246,399 1.295,400 1.761,402 3.397,403 1.21,404 2.508,405 1.524,406 3.897,407 2.029,408 1.072,409 1.454,411 2.938,412 1.005,413 2.178,414 1.461,415 3.278,416 1.693,417 0.698,418 1.023,420 1.69,421 0.693,422 1.476,423 1.19,424 2.887,425 1.134,426 0.215,427 0.252,428 0.301,429 0.193,430 1.226,431 0.804,432 2.658,433 0.841,434 -0.105,435 -0.131,436 -0.269,437 -0.097,438 1.125,439 0.713,440 2.452,441 0.687,442 -0.254,443 -0.331,445 -0.667,446 -0.235,447 1,448 0.228,449 2.155,450 0.484,451 -0.596,452 -0.861,454 -1.365,455 -0.622,456 0.734,457 0.072,458 2,459 0.294,460 -0.696,461 -0.949,463 -1.871,464 -0.684,465 11.233,466 0.468,467 0.698,468 0.029,469 32,470 1.333,471 16.5,472 0.688,473 15.5,474 0.646,475 16.244,476 0.677,477 25.367,478 0.725,479 24.777,480 1.032,481 6.671,482 0.278,483 4.803,484 0.2,485 0.163,487 0.401,493 0.821,494 1,495 0.666,496 0.846,497 0.673,498 0.752,499 0.742,500 0.944,501 0.707,502 0.919,503 0.595,504 0.78,505 1.084,506 1.15,507 1.035,508 1.199,509 0.997,510 1.084,511 1.164,512 0.971,513 0.887,514 0.925,515 1.082,516 1.029,517 0.886,518 0.924,519 0.999,520 0.936,521 0.767,522 1.076,523 0.756,524 0.99,525 0.881,526 0.935,527 0.735,528 1.064,529 0.885,530 0.809,531 0.861,532 0.768,533 1.049,534 0.923,535 1.001,536 1.115,537 0.984,538 1.134,539 1.011,540 0.863,541 6,542 0.091,543 3.111,544 2.201,545 1.098,546 0.924,547 0.426,548 0.303,549 0.262,550 0.18,551 6402,552 26350,553 2.015,554 31.4,556 9,559 2,564 1.665,565 1.846,566 3.374,567 0.378,569 1,571 1,573 61.961,574 1.77,575 3.968,576 4.547,577 4.879,578 4.993,579 4.993,580 2.872,581 4.418,582 4.554,583 3.544,584 978.085,585 7.842,586 11621.1,587 1,588 1,589 1,590 1,591 179.525,592 1.528,593 4.493,594 0.231,595 0.008,596 0.084,597 0.063,598 0.034,599 0.032,600 0.019,601 0.015,602 0.012,603 0.01,604 0.508,605 0.33,606 1,607 1.045,608 115.084,609 -0.126,610 0.013,611 0.012,612 0.059,613 -0.111,614 0.056,615 0.084,616 0.065,617 0.151,618 0.059,619 0.048,620 0.092,621 -0.179,622 -0.211,623 -0.156,624 -0.229,625 -0.117,626 -0.171,627 -0.103,628 -0.051,629 -0.082,630 -0.054,631 -0.062,632 -0.12,633 0.094,634 0.012,635 -0.084,636 0.004,637 0.051,638 -0.103,639 0.04,640 -0.059,641 0.066,642 -0.016,643 0.028,644 0.037,645 0.067,646 0.129,647 0.117,648 0.176,649 -0.075,650 0.131,651 -0.097,652 -0.12,653 0.199,654 -0.019,655 -0.073,656 0.175,657 2.226,658 4.503,659 0.667,660 22.417,661 1.045,662 1.107,663 1.128,664 1.272,665 0.72,666 3.296,667 3.638,668 3.892,669 4.127,670 4.22,671 4.29,672 4.431,673 4.466,674 4.543,675 4.585,676 6.273,677 0.718,678 345.35,679 3.296,680 4.844,681 5.694,682 6.575,683 7.44,684 8.323,685 9.194,686 10.077,687 10.951,688 11.834,689 2.9,696 1,704 5,707 1,709 5,711 11,721 1,728 1,731 35,733 15,734 1,735 26,737 37,738 16,739 10,740 3,741 3,742 4,746 3,747 3,761 15,762 1,766 4,771 3,773 1,775 4,777 1,778 1,780 1,781 11,782 7,783 2,784 8,785 1,790 1,792 1,794 1,795 6,811 2,812 1,831 2,837 1,840 3,842 1,844 1,848 24,853 1,855 1,856 1,857 1,870 17.1,872 1,873 3,875 2,877 13,878 6.7,879 5.278,880 1.814,881 2.901,882 1.414,883 0.95,884 4.576,885 9.904,886 3.597,887 4.186,888 4.737,889 5.283,890 5.707,891 6.076,892 6.514,893 6.818,894 7.183,895 7.493,896 1,897 35,898 8.862,900 3.886,901 8.306,902 15.903,904 12.72,905 2.806,906 67.333,910 105.94,911 133.745,912 18.011,914 138.625,916 32.22,917 101.526,918 244.565,919 18.011,920 10.883,921 18.011,922 56.857,923 131.565,924 26.878,925 13.967,926 138.159,928 105.94,929 119.537,930 138.625,931 32.22,933 105.94,934 138.625,937 18.011,938 90.499,939 11.027,940 32.22,941 105.94,942 156.636,943 133.745,946 105.94,947 66.005,948 67.741,949 18.011,950 138.625,951 105.94,952 156.636,953 133.745,955 0.589,956 0.349,957 0.18,958 0.087,959 18,960 9,961 0.108,962 4,964 1,965 3.594,966 190.546,968 16,969 110.039,970 1,974 16.518,975 6.649,976 3.46,978 156.636,979 7.518,982 5.566,984 1.158,986 60.694,987 396.321,988 35.5,993 34.065,995 1.439,997 -1.246,999 36.56,1000 38.751,1001 0.345,1002 0.774,1003 0.887,1004 0.951,1005 0.974,1006 0.974,1007 4.842,1008 1.295,1009 5.7,1010 3.547,1011 4.317,1012 4.871,1013 3.8,1014 6.515,1015 4.252,1016 6.069,1017 1.072,1018 7.27,1019 3.397,1020 4.007,1021 4.758,1022 2.89,1023 7.402,1024 3.927,1025 7.388,1026 0.698,1027 8.933,1028 2.938,1029 5.927,1030 7.041,1031 6.445,1032 10.47,1033 5.812,1034 8.74,1035 0.215,1036 10.647,1037 1.69,1038 6.399,1039 7.705,1040 6.24,1041 12.146,1042 6.262,1043 10.119,1044 -0.105,1045 12.394,1046 0.301,1047 7.812,1048 9.48,1049 9.286,1050 14.719,1051 7.652,1052 11.517,1053 -0.254,1054 14.163,1055 -0.269,1056 8.626,1057 10.501,1058 9.437,1059 16.726,1060 8.439,1061 12.929,1062 -0.596,1063 15.947,1064 -0.667,1065 9.844,1066 12.068,1067 12.158,1068 19.118,1069 9.64,1070 3.074,1071 -0.696,1072 17.744,1073 -1.365,1074 10.811,1075 13.266,1076 12.55,1077 21.272,1078 10.581,1079 2.933,1080 10.105,1081 19.55,1082 -1.871,1083 11.953,1084 14.74,1085 15.039,1086 23.596,1087 11.706,1088 2.716,1089 9.091,1090 21.363,1091 4.14,1092 12.989,1093 16.029,1094 15.615,1095 25.819,1096 12.719,1097 2.388,1098 8.488,1099 23.182,1100 3.751,1101 14.101,1102 17.461,1103 17.926,1104 28.118,1105 13.815,1106 1.913,1107 7.079,1108 25.006,1109 3.496,1110 15.17,1111 18.8,1112 18.648,1113 30.374,1114 14.863,1115 1.724,1116 5.389,1117 26.834,1118 3.127,1119 16.272,1120 20.214,1121 20.819,1122 32.666,1123 15.95,1124 1.414,1125 4.886,1126 28.666,1127 2.535,1128 17.357,1129 21.581,1130 21.659,1131 34.941,1132 17.017,1133 6322,1134 12957,1135 16.819,1136 25.187,1137 39.574,1138 44.053,1139 41.29,1140 38.865,1141 38.884,1142 51.487,1143 15.156,1144 113.823,1145 37.529,1146 5.223,1147 6.802,1148 6.032,1149 5.155,1150 5.074,1151 7.14,1152 8.335,1153 16.956,1154 5.038,1155 14.096,1156 1.522,1157 1.694,1158 1.588,1159 1.495,1160 1.496,1161 1.98,1162 0.583,1163 4.378,1164 1.443,1165 4.034,1166 4.036,1167 4.089,1168 3.941,1169 7.449,1170 3.95,1171 3.832,1172 3.837,1173 3.945,1174 3.751,1175 7.432,1176 3.739,1177 3.67,1178 3.674,1179 3.707,1180 3.533,1181 7.409,1182 3.527,1183 3.382,1184 3.402,1185 3.307,1186 3.101,1187 6.469,1188 3.143,1189 3.049,1190 3.085,1191 3.031,1192 2.857,1193 5.06,1194 2.868,1195 2.964,1196 2.988,1197 2.896,1198 2.746,1199 4.58,1200 2.754,1201 2.908,1202 2.954,1203 2.821,1204 2.725,1205 4.415,1206 2.725,1207 2.755,1208 2.726,1209 2.741,1210 2.494,1211 4.129,1212 2.52,1213 0.171,1214 0.185,1215 0.25,1216 0.156,1217 0.118,1218 4.445,1219 0.159,1220 4.802,1221 0.167,1222 6.489,1223 0.389,1224 4.062,1225 0.117,1226 3.074,1227 4.14,1228 4.337,1229 10.105,1230 3.038,1231 1.913,1232 1.903,1233 1.989,1234 2.005,1235 1.108,1236 1.997,1237 1.638,1238 1.63,1239 1.718,1240 1.761,1241 0.836,1242 1.745,1243 1.41,1244 1.398,1245 1.6,1246 1.637,1247 0.605,1248 1.613,1249 1.259,1250 1.233,1251 1.492,1252 1.568,1253 0.56,1254 1.524,1255 1.211,1256 1.184,1257 1.297,1258 1.461,1259 0.243,1260 1.458,1261 1.052,1262 1.052,1263 1.146,1264 1.241,1265 0.168,1266 1.222,1267 0.883,1268 0.84,1269 1.087,1270 1.156,1271 0.14,1272 1.132,1273 0.795,1274 0.778,1275 0.875,1276 1.081,1278 1.046,1279 3.97,1281 5.303,1282 3.045,1283 6.808,1284 5.352,1285 8.39,1286 7.368,1287 10.014,1289 1.252,1294 10.063,1296 2.148,1297 4.585,1298 0.785,1305 25.131,1306 61.961,1307 138.896,1308 159.16,1309 170.77,1310 174.77,1311 174.77,1312 55.705,1313 7.003,1314 109.6,1315 137.84,1316 16,1317 12.369,1318 4,1319 3.392,1320 39.466,1321 90,1322 88,1323 0.218,1324 157.624,1325 284.97,1326 376.362,1327 9555,1329 17.267,1330 0.719,1331 0.549,1332 17.621,1333 13.177,1334 11.474,1335 0.441,1336 0.291,1337 6.669,1338 10.412,1339 6.465,1340 5.343,1341 11.882,1342 7.557,1343 10.589,1344 0.286,1345 0.157,1346 11.317,1347 5.792,1348 8.832,1349 0.184,1350 0.084,1351 9.553,1352 4.037,1353 7.157,1354 0.117,1355 0.045,1356 7.926,1357 2.773,1358 5.046,1359 0.075,1360 0.023,1361 5.6,1362 1.552,1363 0.344,1364 77.573,1365 0.244,1366 23.585,1367 0.589,1368 126,1369 508.021,1370 171.286,1371 493.066,1372 649.16,1373 456,1374 148,1375 442.754,1376 185.326,1377 458.448,1378 671.87,1379 428,1380 6.678}
{0 CHEMBL377175,1 1.916,2 8.762,3 3.085,4 9.52,5 75.536,6 10.528,7 0.478,8 3.543,9 3.591,10 3.422,11 3.171,12 4.922,13 3.181,14 3.978,15 4.029,16 3.872,17 3.52,18 5.471,19 3.533,20 4.158,21 4.255,22 3.729,23 3.469,24 5.634,25 3.487,26 4.069,27 4.174,28 3.652,29 3.34,30 5.653,31 3.365,32 4.033,33 4.148,34 3.625,35 3.306,36 5.664,37 3.304,38 3.893,39 4.033,40 3.314,41 3.141,42 5.383,43 3.13,44 3.64,45 3.804,46 3.089,47 2.936,48 5.011,49 2.88,50 3.45,51 3.568,52 3.225,53 2.846,54 4.91,55 2.82,56 0.222,57 0.441,58 2.258,59 2.597,60 28.244,61 1.913,62 0.356,63 0.7,64 4.374,65 4.223,66 37.04,67 3.319,68 0.636,69 0.808,70 10.973,71 5.757,72 89.717,73 4.208,74 0.657,75 0.709,76 8.02,77 4.817,78 93.6,79 3.916,80 0.753,81 0.687,82 10.056,83 4.975,84 86.718,85 4.406,86 0.559,87 0.658,88 8.504,89 4.278,90 70.034,91 3.577,92 0.379,93 0.481,94 6.97,95 3.488,96 59.602,97 3.282,98 0.276,99 0.427,100 7.16,101 3.193,102 47.284,103 2.565,104 17,105 33,106 0.361,107 0.714,108 0.827,109 0.903,110 0.916,111 0.916,112 3.103,113 0.871,114 -2.78,115 -2.79,116 -2.7,119 48.3,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 3,175 5,178 2,180 3,183 5,187 3,192 3,195 5,198 1,199 3,202 1,204 1,207 4,211 1,212 2,215 1,217 2,220 4,223 1,224 2,229 2,232 3,237 2,242 1,245 2,250 2,255 2,258 1,263 2,266 1,267 1,268 1,271 1,275 498,276 13.826,277 13.826,278 13.826,279 13.826,280 13.826,281 12.012,282 8.925,283 7.986,284 14.13,285 11.349,286 11.349,287 11.349,288 11.349,289 11.349,290 8.508,291 5.625,292 3.831,293 11.856,294 2.941,295 1.073,296 0.469,297 0.069,300 3.776,304 1,305 1,306 393,307 2.236,310 115.2,311 69.581,318 1.438,319 38.62,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48,331 184,332 4.432,333 4.802,334 6.484,335 4.045,336 3.06,337 4.125,338 4.337,339 10.102,340 3.017,341 4.253,342 3.599,343 6.148,344 3.868,345 2.925,346 3.703,347 1.058,348 9.086,349 2.748,350 3.908,351 3.166,352 5.463,353 3.486,354 2.508,355 3.396,356 0.508,357 7.228,358 2.442,359 3.485,360 3.112,361 4.988,362 3.066,363 2.123,364 2.791,366 5.875,367 1.988,368 3.346,369 2.752,370 4.838,371 2.871,372 1.906,373 2.529,375 5.302,376 1.796,377 3.129,378 2.483,379 4.716,380 2.721,381 1.737,382 2.294,384 4.884,385 1.68,386 2.777,387 1.914,388 4.135,389 2.238,390 1.287,391 1.765,393 3.534,394 1.204,395 2.473,396 1.521,397 3.864,398 1.993,399 1.023,400 1.423,402 2.804,403 0.977,404 2.173,405 1.091,406 3.276,407 1.683,408 0.686,409 1.014,411 1.675,412 0.683,413 1.369,414 0.803,415 2.875,416 1,417 0.102,418 0.123,420 0.226,421 0.089,422 1.175,423 0.733,424 2.559,425 0.749,426 -0.175,427 -0.223,428 -0.502,429 -0.158,430 1,431 0.628,432 2.366,433 0.487,434 -0.593,435 -0.842,436 -1.361,437 -0.614,438 0.69,439 0.185,440 2,441 0.261,442 -0.707,443 -0.917,445 -1.966,446 -0.659,447 0.448,448 -0.242,449 1.919,450 0.064,451 -0.946,452 -1.183,454 -2.433,455 -0.873,456 0.208,457 -0.577,458 1.831,459 -0.138,460 -1,461 -1.267,463 -2.654,464 -0.927,465 9.852,466 0.469,467 0.647,468 0.031,469 28.5,470 1.357,471 15,472 0.714,473 13.5,474 0.643,475 13.439,476 0.64,477 21.948,478 0.757,479 20.37,480 0.97,481 5.858,482 0.279,483 4.166,484 0.198,485 0.13,487 0.406,491 1,493 0.753,494 0.801,495 0.654,496 0.74,497 0.654,498 0.671,499 0.656,500 1.008,501 0.702,502 1.078,503 0.598,504 0.931,505 1.238,506 1.036,507 1.171,508 1.13,509 1.123,510 1.097,511 0.976,512 0.956,513 0.818,514 0.941,515 0.849,516 1.047,517 0.735,518 0.812,519 0.892,520 0.868,521 0.645,522 0.943,523 1.108,524 1.094,525 1.106,526 0.947,527 1.077,528 1.126,529 0.957,530 0.858,531 0.961,532 0.835,533 1.078,534 1.015,535 0.989,536 1.098,537 1.202,538 1.222,539 1.141,540 0.894,541 5.5,542 0.074,543 2.444,544 1.951,545 1.018,546 0.636,547 0.336,548 0.209,549 0.184,550 0.159,551 4375,552 18800,553 2.045,554 27.6,556 6,559 2,564 1.629,565 1.881,566 3.123,567 0.425,569 1,571 1,573 55.578,574 1.916,575 3.785,576 4.389,577 4.789,578 4.858,579 4.858,580 2.498,581 3.594,582 4.367,583 3.279,584 688.546,585 7.468,586 7348.47,587 1,588 1,589 1,590 1,591 140.881,592 1.51,593 4.305,594 0.239,595 0.008,596 0.074,597 0.067,598 0.039,599 0.025,600 0.018,601 0.015,602 0.012,603 0.011,604 0.509,605 0.5,606 1,607 0.665,608 94.971,609 -0.12,610 0.044,611 -0.009,612 0.111,613 -0.104,614 0.094,615 0.051,616 -0.128,617 0.088,618 -0.154,619 0.023,620 -0.123,621 -0.256,622 -0.092,623 -0.228,624 -0.159,625 -0.196,626 -0.147,627 -0.002,628 -0.082,629 0.013,630 -0.07,631 0.011,632 -0.096,633 0.257,634 0.087,635 0.093,636 0.094,637 0.174,638 0.077,639 -0.128,640 -0.049,641 -0.178,642 -0.028,643 -0.118,644 -0.104,645 -0.125,646 0.031,647 0.09,648 0.14,649 -0.139,650 0.125,651 -0.111,652 -0.077,653 0.137,654 -0.01,655 -0.146,656 0.184,657 2.171,658 5.203,659 0.762,660 15.537,661 1.053,662 1.112,663 1.546,664 2.39,665 0.74,666 3.178,667 3.526,668 3.761,669 4.025,670 4.127,671 4.094,672 4.205,673 4.277,674 4.331,675 4.369,676 5.409,677 0.743,678 305.3,679 3.178,680 4.727,681 5.572,682 6.457,683 7.319,684 8.202,685 9.072,686 9.953,687 10.826,688 11.706,689 3.4,696 1,704 5,707 1,709 5,711 11,728 1,730 1,731 29,733 14,734 1,735 23,737 31,738 14,739 10,740 3,741 3,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,778 1,779 1,780 1,781 8,782 6,783 2,784 7,785 1,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,846 1,848 21,853 1,855 1,857 1,869 1,870 13.8,872 1,873 2,875 1,877 11.167,878 5.26,879 4.5,880 1.537,881 2.821,882 1.42,883 0.977,884 3.573,885 9.542,886 3.481,887 4.09,888 4.626,889 5.195,890 5.622,891 5.901,892 6.294,893 6.666,894 6.969,895 7.262,896 0.833,897 29,898 7.774,900 3.49,901 8.413,902 13.863,904 11.309,905 2.913,906 61.167,910 70.627,911 121.606,912 18.011,914 102.481,915 14.96,916 32.22,917 89.387,918 173.107,919 32.971,921 18.011,922 56.857,923 99.229,924 21.814,925 28.928,926 102.846,928 70.627,929 107.398,930 117.441,931 32.22,933 85.587,934 102.481,937 18.011,938 78.36,939 11.027,940 32.22,941 85.587,942 120.491,943 121.606,946 70.627,947 64.749,948 56.857,949 18.011,950 117.441,951 70.627,952 135.451,953 121.606,955 0.594,956 0.34,957 0.183,958 0.095,959 17,960 8,961 0.065,962 2,964 1,965 3.336,966 160.185,968 16,969 92.239,970 1,974 13.922,975 5.39,976 2.865,978 135.451,979 6.606,982 5.443,984 0.164,986 60.694,987 327.684,988 31.5,993 22.46,995 1.407,997 -0.721,999 30.535,1000 32.256,1001 0.395,1002 0.779,1003 0.903,1004 0.986,1005 1,1006 1,1007 4.725,1008 1.023,1009 5.58,1010 3.534,1011 4.205,1012 4.775,1013 3.666,1014 6.385,1015 4.125,1016 5.956,1017 0.686,1018 7.14,1019 2.804,1020 3.892,1021 4.649,1022 2.89,1023 7.235,1024 3.766,1025 7.274,1026 0.102,1027 8.791,1028 1.675,1029 5.802,1030 6.949,1031 6.42,1032 10.314,1033 5.658,1034 8.623,1035 -0.175,1036 10.494,1037 0.226,1038 6.256,1039 7.586,1040 6.24,1041 11.972,1042 6.066,1043 9.999,1044 -0.593,1045 12.23,1046 -0.502,1047 7.673,1048 9.383,1049 9.282,1050 14.56,1051 7.472,1052 11.392,1053 -0.707,1054 13.99,1055 -1.361,1056 8.474,1057 10.383,1058 9.437,1059 16.571,1060 8.232,1061 12.8,1062 -0.946,1063 15.768,1064 -1.966,1065 9.698,1066 11.966,1067 12.158,1068 18.977,1069 9.444,1070 3.06,1071 -1,1072 17.56,1073 -2.433,1074 10.66,1075 13.151,1076 12.55,1077 21.144,1078 10.371,1079 2.925,1080 10.102,1081 19.363,1082 -2.654,1083 11.806,1084 14.635,1085 15.039,1086 23.48,1087 11.503,1088 2.508,1089 9.086,1090 21.176,1091 4.125,1092 12.842,1093 15.918,1094 15.615,1095 25.717,1096 12.511,1097 2.123,1098 7.228,1099 22.996,1100 3.703,1101 13.959,1102 17.356,1103 17.926,1104 28.026,1105 13.611,1106 1.906,1107 5.875,1108 24.823,1109 3.396,1110 15.029,1111 18.692,1112 18.648,1113 30.294,1114 14.658,1115 1.737,1116 5.302,1117 26.654,1118 2.791,1119 16.134,1120 20.11,1121 20.819,1122 32.595,1123 15.747,1124 1.287,1125 4.884,1126 28.49,1127 2.529,1128 17.221,1129 21.475,1130 21.659,1131 34.879,1132 16.814,1133 4288,1134 9007,1135 15.027,1136 21.455,1137 35.299,1138 38.734,1139 36.183,1140 34.725,1141 34.716,1142 46.325,1143 11.807,1144 101.433,1145 33.25,1146 5.209,1147 6.802,1148 5.807,1149 5.138,1150 5.06,1151 7.125,1152 8.335,1153 16.845,1154 5.017,1155 11.319,1156 1.535,1157 1.684,1158 1.573,1159 1.51,1160 1.509,1161 2.014,1162 0.513,1163 4.41,1164 1.446,1165 4.026,1166 4.03,1167 4.088,1168 3.928,1169 8.201,1170 3.937,1171 3.814,1172 3.824,1173 3.936,1174 3.735,1175 7.449,1176 3.721,1177 3.651,1178 3.66,1179 3.673,1180 3.515,1181 7.409,1182 3.509,1183 3.049,1184 3.074,1185 3.044,1186 2.877,1187 6.469,1188 2.893,1189 2.977,1190 3,1191 2.953,1192 2.743,1193 5.057,1194 2.771,1195 2.829,1196 2.854,1197 2.884,1198 2.67,1199 4.422,1200 2.677,1201 2.72,1202 2.716,1203 2.67,1204 2.484,1205 4.13,1206 2.502,1207 2.321,1208 2.361,1209 2.313,1210 2.011,1211 3.663,1212 1.979,1213 0.193,1214 0.209,1215 0.282,1216 0.176,1217 0.133,1218 4.432,1219 0.179,1220 4.802,1221 0.189,1222 6.484,1223 0.439,1224 4.045,1225 0.131,1226 3.06,1227 4.125,1228 4.337,1229 10.102,1230 3.017,1231 1.889,1232 1.875,1233 1.966,1234 1.988,1235 1.071,1236 1.979,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.835,1242 1.745,1243 1.367,1244 1.342,1245 1.496,1246 1.568,1247 0.568,1248 1.533,1249 1.235,1250 1.222,1251 1.297,1252 1.495,1253 0.236,1254 1.47,1255 1.05,1256 1.073,1257 1.116,1258 1.235,1259 0.164,1260 1.209,1261 0.857,1262 0.823,1263 1.024,1264 1.15,1265 0.05,1266 1.105,1267 0.65,1268 0.619,1269 0.834,1270 0.913,1272 0.919,1273 0.297,1274 0.273,1275 0.539,1276 0.679,1278 0.642,1279 3.85,1281 5.187,1282 3.045,1283 6.688,1284 5.352,1285 8.266,1286 7.368,1287 9.888,1291 13.203,1294 9.704,1296 2.128,1298 0.771,1305 21.558,1306 55.578,1307 109.762,1308 127.272,1309 138.881,1310 140.881,1311 140.881,1312 47.91,1313 6.721,1314 83.3,1315 111.54,1316 16,1317 12.243,1318 3.907,1319 3.248,1320 32.275,1321 70,1322 58,1323 0.236,1324 134.572,1325 241.5,1326 320.116,1327 6662,1328 3.4,1329 14.983,1330 0.713,1331 0.535,1332 14.466,1333 11.239,1334 10.025,1335 0.436,1336 0.29,1337 5.822,1338 9.065,1339 5.685,1340 4.658,1341 10.039,1342 6.68,1343 9.548,1344 0.289,1345 0.158,1346 9.643,1347 5.23,1348 7.628,1349 0.182,1350 0.085,1351 8.006,1352 3.577,1353 6.379,1354 0.116,1355 0.045,1356 6.959,1357 2.493,1358 4.774,1359 0.078,1360 0.023,1361 4.866,1362 1.403,1363 0.367,1364 68.055,1365 0.258,1366 20.784,1367 0.655,1368 112,1369 482.661,1370 155.914,1371 450.871,1372 589.88,1373 416,1374 131,1375 401.905,1376 166.585,1377 410.743,1378 602.69,1379 386,1380 6.342}
{0 CHEMBL377300,1 1.737,2 10.667,3 3.998,4 15.98,5 99.425,6 8.053,7 0.667,8 3.969,9 4.075,10 3.595,11 3.442,12 5.155,13 3.465,14 4.486,15 4.641,16 3.993,17 3.812,18 5.66,19 3.837,20 4.673,21 4.828,22 4.062,23 3.886,24 5.958,25 3.901,26 4.729,27 4.929,28 3.971,29 3.855,30 5.902,31 3.848,32 4.586,33 4.771,34 3.866,35 3.781,36 5.811,37 3.768,38 4.608,39 4.805,40 3.857,41 3.815,42 5.79,43 3.786,44 4.648,45 4.862,46 3.806,47 3.755,48 5.861,49 3.727,50 4.533,51 4.767,52 3.644,53 3.611,54 5.74,55 3.565,56 0.152,57 0.756,58 8.482,59 4.074,60 13.139,61 4.746,62 0.381,63 1.172,64 16.916,65 6.524,66 31.722,67 8.026,68 0.805,69 1.343,70 21.689,71 7.604,72 60.193,73 8.969,74 0.757,75 1.404,76 25.402,77 8.334,78 56.999,79 10.3,80 0.713,81 1.27,82 20.691,83 6.914,84 54.499,85 8.53,86 0.552,87 1.336,88 21.105,89 7.571,90 47.249,91 9.541,92 0.686,93 1.316,94 23.28,95 7.274,96 62.388,97 9.311,98 0.779,99 1.072,100 22.034,101 6.623,102 72.722,103 8.856,104 29,105 44,106 0.295,107 0.697,108 0.839,109 0.879,110 0.879,111 0.879,112 3.341,113 0.853,114 -4.07,115 -4.02,116 -3.81,119 41.3,120 3,125 1,127 1,142 3,143 2,144 3,147 1,148 1,151 1,152 3,166 1,172 3,174 2,175 3,180 5,183 2,186 3,187 8,190 1,192 1,195 3,198 2,199 5,207 2,211 2,212 3,215 1,217 1,220 3,224 6,227 1,229 1,232 4,237 5,240 2,245 3,250 6,253 3,255 1,258 1,263 2,266 1,268 1,271 1,275 1105,276 17.947,277 17.947,278 17.947,279 17.947,280 17.947,281 15.51,282 16.375,283 10.319,284 18.49,285 14.794,286 14.794,287 14.794,288 14.794,289 14.794,290 11.091,291 17.207,292 4.912,293 15.754,294 3.786,295 1.421,296 0.587,297 0.354,298 0.354,299 0.354,300 4.033,303 1,304 1,305 1,306 624,307 3.317,310 114.081,311 133.657,314 206.551,318 1.654,319 35.117,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 288,332 4.697,333 3.478,334 6.894,335 4.216,336 3.265,337 4.663,338 0.86,339 11.511,340 3.104,341 4.597,342 3.344,343 6.654,344 4.109,345 3.144,346 4.557,347 0.86,348 10.635,349 3.03,350 3.908,351 2.899,352 5.827,353 3.486,354 2.563,355 3.39,357 8.054,358 2.356,359 3.704,360 2.687,361 5.658,362 3.29,363 2.363,364 3.132,366 7.362,367 2.18,368 3.391,369 2.489,370 5.161,371 3.082,372 2.148,373 2.762,375 6.014,376 1.996,377 3.235,378 2.206,379 4.821,380 2.904,381 1.961,382 2.545,384 5.214,385 1.845,386 3.199,387 2.004,388 4.72,389 2.785,390 1.814,391 2.354,393 5.129,394 1.753,395 3.104,396 1.916,397 4.657,398 2.641,399 1.68,400 2.229,402 4.833,403 1.607,404 2.875,405 1.775,406 4.465,407 2.391,408 1.479,409 2.012,411 4.072,412 1.341,413 2.433,414 1.233,415 3.592,416 1.997,417 1.074,418 1.411,420 2.515,421 0.986,422 2.068,423 1.095,424 3.52,425 1.558,426 0.625,427 0.881,428 1.684,429 0.574,430 1.674,431 0.965,432 3.182,433 1.409,434 0.536,435 0.596,436 1.269,437 0.463,438 1.614,439 0.611,440 2.995,441 1.238,442 0.348,443 0.424,445 0.864,446 0.305,447 1.073,448 0.122,449 2.563,450 0.635,451 -0.28,452 -0.352,454 -0.723,455 -0.251,456 0.876,457 -0.085,458 2.351,459 0.548,460 -0.374,461 -0.453,463 -0.923,464 -0.342,465 12.386,466 0.459,467 0.822,468 0.03,469 35.25,470 1.306,471 17,472 0.63,473 18.25,474 0.676,475 22.503,476 0.833,477 29.614,478 0.644,479 26.603,480 0.985,481 7.059,482 0.261,483 5.877,484 0.218,485 0.171,487 0.436,491 1,493 0.8,494 1.164,495 0.708,496 1.113,497 0.736,498 0.933,499 0.903,500 1.076,501 0.679,502 0.96,503 0.694,504 0.797,505 1.116,506 1.081,507 0.972,508 1.018,509 1.038,510 0.972,511 1.229,512 1.071,513 0.947,514 0.944,515 1.012,516 0.892,517 1.104,518 1.029,519 1.069,520 0.969,521 1.051,522 0.995,523 1.025,524 1.204,525 1.01,526 1.114,527 1.236,528 1.07,529 1.159,530 1.065,531 1.08,532 0.979,533 1.144,534 1,535 0.938,536 0.9,537 0.978,538 0.852,539 1.049,540 0.897,541 6,542 0.139,543 3.333,544 2.799,545 1.743,546 0.896,547 0.67,548 0.505,549 0.311,550 0.2,551 8592,552 25146,553 2.075,554 41.3,555 3,556 6,557 1,558 1,559 2,560 3,561 3,564 1.702,565 1.906,566 3.355,567 0.304,569 1,573 79.908,574 1.737,575 4.102,576 4.936,577 5.17,578 5.17,579 5.17,580 2.883,581 4.533,582 4.724,583 3.526,584 1237.64,585 8.21,586 15509,588 1,590 1,591 254.084,592 1.506,593 4.668,594 0.2,595 0.009,596 0.076,597 0.064,598 0.044,599 0.025,600 0.019,601 0.015,602 0.011,603 0.01,604 0.472,605 0.33,606 1,607 1.155,608 132.838,609 -0.059,610 -0.103,611 0.044,612 -0.063,613 -0.111,614 0.001,615 -0.029,616 -0.092,617 0.187,618 0.042,619 0.015,620 0.147,621 0.049,622 -0.058,623 -0.038,624 -0.042,626 -0.063,627 -0.067,628 -0.043,629 0.059,630 0.039,631 -0.014,632 0.069,633 -0.013,634 0.062,635 -0.118,636 0.002,637 -0.032,638 -0.067,639 -0.05,640 -0.084,641 -0.068,642 -0.107,643 -0.096,644 -0.098,645 -0.101,646 -0.037,647 -0.087,648 -0.031,649 -0.041,650 -0.055,651 0.107,652 0.125,653 0.05,654 0.101,655 0.054,656 0.077,657 2.122,658 6.836,659 0.667,660 23.61,661 1.021,662 1.137,663 2.843,664 8.082,665 0.661,666 3.434,667 3.807,668 4.111,669 4.431,670 4.644,671 4.745,672 4.883,673 5.056,674 5.075,675 5.153,676 6.212,677 0.648,678 370.42,679 3.434,680 5.004,681 5.878,682 6.786,683 7.681,684 8.594,685 9.498,686 10.412,687 11.321,688 12.236,689 8.7,697 2,699 2,701 1,703 3,704 5,705 2,706 1,709 6,711 20,729 2,730 1,731 46,733 20,734 1,735 30,737 49,738 19,739 14,740 4,741 2,746 4,747 6,752 3,758 1,761 14,762 5,778 1,779 1,781 19,782 6,783 2,784 8,790 4,794 0.5,795 3,797 1,807 2,811 2,812 2,815 2,838 1,840 2,844 3,846 1,848 27,853 1,854 1,856 2,858 1,869 1,870 6.5,871 1,875 2,877 14.167,878 9.276,879 5.778,880 2.678,881 4.102,882 1.526,883 0.969,884 4.598,885 11.9,886 3.714,887 4.425,888 5.103,889 5.788,890 6.315,891 6.687,892 7.118,893 7.595,894 7.785,895 8.174,896 1,897 44,898 10.005,900 4.363,901 7.92,902 18.636,904 15.259,905 2.42,906 65.333,909 1,910 200.109,911 114.389,912 51.398,914 64.683,915 14.96,917 114.389,918 264.792,919 66.358,920 26.476,921 4.592,922 80.16,923 45.22,924 73.934,925 38.591,926 176.567,928 200.109,929 165.787,930 79.643,933 179.756,934 57.313,935 42.683,937 57.636,938 74.702,939 33.449,941 215.069,942 116.081,943 114.389,946 200.109,947 41.818,948 73.734,949 16.786,950 113.092,951 200.109,952 131.041,953 114.389,955 0.594,956 0.345,957 0.192,958 0.107,959 23,960 11,961 0.102,962 5,963 2,964 1.222,965 3.805,966 240.336,967 0.222,968 18,969 128.382,974 17.922,975 6.926,976 3.296,977 1.74,978 113.092,979 8.071,980 8.316,981 3.093,984 2.008,986 59.469,987 445.539,988 40,999 46.971,1000 52.283,1001 0.314,1002 0.743,1003 0.894,1004 0.936,1005 0.936,1006 0.936,1007 4.97,1008 1.68,1009 5.894,1010 5.129,1011 4.489,1012 5.112,1013 1.376,1014 6.758,1015 4.368,1016 6.224,1017 1.479,1018 7.488,1019 4.833,1020 4.205,1021 5.13,1023 7.748,1024 4.043,1025 7.567,1026 1.074,1027 9.181,1028 4.072,1029 6.133,1030 7.472,1031 1.159,1032 10.888,1033 5.912,1034 8.951,1035 0.625,1036 10.93,1037 2.515,1038 6.648,1039 8.329,1041 12.718,1042 6.387,1043 10.368,1044 0.536,1045 12.718,1046 1.684,1047 8.087,1048 10.171,1049 0.963,1050 15.389,1051 7.777,1052 11.811,1053 0.348,1054 14.532,1055 1.269,1056 8.965,1057 11.41,1059 17.569,1060 8.618,1061 13.273,1062 -0.28,1063 16.367,1064 0.864,1065 10.225,1066 13.06,1067 0.787,1068 20.078,1069 9.834,1070 3.265,1071 -0.374,1072 18.217,1073 -0.723,1074 11.267,1075 14.468,1077 22.401,1078 10.837,1079 3.144,1080 11.511,1081 20.081,1082 -0.923,1083 12.462,1084 16.043,1085 0.634,1086 24.853,1087 11.989,1088 2.563,1089 10.635,1090 21.954,1091 4.663,1092 13.575,1093 17.522,1095 27.234,1096 13.061,1097 2.363,1098 8.054,1099 23.836,1100 4.557,1101 14.749,1102 19.069,1103 0.504,1104 29.667,1105 14.192,1106 2.148,1107 7.362,1108 25.725,1109 3.39,1110 15.893,1111 20.577,1113 32.073,1114 15.293,1115 1.961,1116 6.014,1117 27.619,1118 3.132,1119 17.061,1120 22.114,1121 0.395,1122 34.501,1123 16.417,1124 1.814,1125 5.214,1126 29.517,1127 2.762,1128 18.218,1129 23.635,1131 36.918,1132 17.53,1133 8254,1134 14278,1135 19.709,1136 30.415,1137 46.328,1138 47.189,1139 48.027,1140 45.947,1141 45.999,1142 61.914,1143 3.44,1144 138.311,1145 43.083,1146 5.528,1147 5.478,1148 6.421,1149 5.318,1150 5.265,1151 7.663,1152 1.72,1153 18.834,1154 5.104,1155 15.066,1156 1.544,1157 1.573,1158 1.601,1159 1.532,1160 1.533,1161 2.064,1162 0.115,1163 4.61,1164 1.436,1165 4.156,1166 4.19,1167 4.131,1168 4.041,1169 8.201,1170 4.056,1171 4.079,1172 4.12,1173 4.053,1174 3.929,1175 6.451,1176 3.957,1177 3.631,1178 3.677,1179 3.507,1180 3.424,1181 5.167,1182 3.431,1183 3.505,1184 3.546,1185 3.426,1186 3.359,1187 4.92,1188 3.365,1189 3.349,1190 3.417,1191 3.256,1192 3.142,1193 4.651,1194 3.165,1195 3.085,1196 3.164,1197 2.953,1198 2.86,1199 4.474,1200 2.869,1201 2.99,1202 3.06,1203 2.899,1204 2.81,1205 4.12,1206 2.815,1207 2.951,1208 3.025,1209 2.736,1210 2.75,1211 4.058,1212 2.736,1213 0.157,1214 0.116,1215 0.23,1216 0.141,1217 0.109,1218 4.697,1219 0.155,1220 3.478,1221 0.029,1222 6.894,1223 0.384,1224 4.216,1225 0.103,1226 3.265,1227 4.663,1228 0.86,1229 11.511,1230 3.104,1231 1.92,1232 1.905,1233 1.978,1234 2.063,1235 1.125,1236 2.026,1237 1.777,1238 1.735,1239 1.87,1240 1.973,1241 1.067,1242 1.942,1243 1.631,1244 1.59,1245 1.837,1246 1.856,1247 0.985,1248 1.854,1249 1.605,1250 1.547,1251 1.806,1252 1.792,1253 0.886,1254 1.799,1255 1.493,1256 1.438,1257 1.689,1258 1.677,1259 0.725,1260 1.693,1261 1.057,1262 1.001,1263 1.367,1264 1.331,1265 0.464,1266 1.342,1267 0.989,1268 0.926,1269 1.263,1270 1.234,1271 0.342,1272 1.233,1273 0.919,1274 0.844,1275 1.239,1276 1.172,1277 0.324,1278 1.205,1279 4.111,1281 5.468,1282 3.045,1283 7.008,1284 5.476,1285 8.639,1286 7.627,1287 10.322,1289 5.339,1291 14.836,1294 9.419,1295 0.152,1297 11.394,1299 -0.597,1305 29.828,1306 79.908,1307 188.7,1308 227.064,1309 237.819,1310 237.819,1311 237.819,1312 49.96,1313 7.798,1314 84.67,1315 84.67,1316 22,1317 12.749,1318 4.392,1319 3.459,1320 40.178,1321 99,1322 105,1323 0.199,1324 180.396,1325 299.54,1326 431.927,1327 26295,1328 2.2,1329 19.129,1330 0.708,1331 0.561,1332 18.259,1333 15.155,1334 12.936,1335 0.431,1336 0.284,1337 8.357,1338 12.22,1339 8.1,1340 6.732,1341 12.508,1342 8.532,1343 12.287,1344 0.279,1345 0.148,1346 11.866,1347 6.53,1348 10.227,1349 0.17,1350 0.071,1351 9.604,1352 4.271,1353 8.849,1354 0.107,1355 0.036,1356 8.462,1357 3.007,1358 7.175,1359 0.07,1360 0.019,1361 6.829,1362 1.933,1363 0.309,1364 82.673,1365 0.225,1366 25.677,1367 0.556,1368 148,1369 525,1370 169.761,1371 471.776,1372 645.59,1373 442,1374 178,1375 487.218,1376 201.614,1377 480.361,1378 710.57,1379 451,1380 5}
{0 CHEMBL377337,1 1.821,2 9.455,3 3.651,4 13.328,5 88.375,6 10.69,7 0.458,8 3.587,9 3.634,10 3.491,11 3.279,12 4.913,13 3.254,14 4.018,15 4.067,16 3.988,17 3.659,18 5.504,19 3.608,20 4.183,21 4.28,22 3.799,23 3.643,24 5.546,25 3.582,26 4.144,27 4.257,28 3.733,29 3.506,30 5.542,31 3.477,32 4.083,33 4.206,34 3.649,35 3.464,36 5.451,37 3.409,38 3.984,39 4.101,40 3.537,41 3.33,42 5.448,43 3.28,44 3.802,45 3.951,46 3.347,47 3.213,48 5.121,49 3.099,50 3.567,51 3.692,52 3.193,53 3.056,54 4.92,55 2.939,56 0.145,57 0.366,58 2.259,59 2.488,60 18.013,61 2.087,62 0.293,63 0.6,64 6.968,65 4.515,66 40.424,67 3.682,68 0.375,69 0.698,70 11.842,71 6.236,72 45.516,73 5.265,74 0.433,75 0.668,76 9.552,77 5.511,78 62.8,79 4.566,80 0.435,81 0.645,82 11.461,83 5.61,84 49.519,85 5.346,86 0.49,87 0.586,88 9.412,89 4.865,90 51.924,91 4.145,92 0.291,93 0.51,94 9.273,95 4.522,96 44.746,97 4.204,98 0.193,99 0.414,100 9.328,101 3.946,102 28.392,103 3.449,104 18,105 34,106 0.337,107 0.67,108 0.8,109 0.892,110 0.916,111 0.916,112 3.146,113 0.93,114 -3.23,115 -3.22,116 -3.09,119 48.4,135 1,138 1,142 6,143 2,152 2,158 2,159 1,167 1,170 1,172 7,173 1,175 5,178 2,180 2,183 9,184 2,187 6,192 3,195 7,196 2,199 5,204 2,207 6,208 1,211 1,212 3,213 1,215 1,217 2,220 6,221 1,223 1,224 2,227 1,229 2,232 4,233 1,237 2,242 2,245 3,246 1,250 3,255 3,258 2,263 2,268 2,271 1,272 1,275 604,276 14.533,277 14.533,278 14.533,279 14.533,280 14.533,281 12.68,282 7.391,283 8.454,284 14.87,285 11.85,286 11.85,287 11.85,288 11.85,289 11.85,290 8.883,291 5.408,292 4.032,293 12.419,294 3.133,295 1.328,296 0.629,297 0.129,300 3.821,303 1,304 1,305 1,306 442,307 2.739,310 123.605,311 74.095,318 1.595,319 30.001,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 48.5,331 208,332 4.374,333 4.866,334 6.248,335 3.988,336 3.002,337 4.04,338 4.503,339 9.451,340 2.978,341 4.24,342 3.688,343 6.139,344 3.848,345 2.906,346 3.701,347 1.437,348 9.048,349 2.745,350 4.018,351 3.579,352 5.859,353 3.643,354 2.651,355 3.463,356 1.059,357 8.022,358 2.607,359 3.614,360 3.146,361 5.281,362 3.232,363 2.248,364 2.93,365 0.524,366 6.69,367 2.213,368 3.332,369 2.909,370 4.761,371 2.723,372 1.86,373 2.495,375 5.127,376 1.598,377 3.037,378 2.366,379 4.328,380 2.553,381 1.56,382 2.178,384 4.034,385 1.489,386 2.777,387 1.918,388 4.083,389 2.235,390 1.279,391 1.764,393 3.394,394 1.2,395 2.532,396 1.69,397 3.685,398 2.006,399 1.025,400 1.476,402 2.671,403 0.994,404 2.472,405 1.289,406 3.435,407 1.992,408 1,409 1.416,411 2.322,412 0.975,413 2.167,414 1.077,415 3.273,416 1.674,417 0.675,418 1.003,420 1.661,421 0.674,422 1.183,423 0.827,424 2.849,425 0.764,426 -0.162,427 -0.206,428 -0.471,429 -0.146,430 1,431 0.681,432 2.377,433 0.398,434 -0.587,435 -0.825,436 -1.355,437 -0.506,438 0.821,439 0.435,440 2,441 0.327,442 -0.636,443 -0.889,445 -1.546,446 -0.618,447 0.66,448 0.183,449 2,450 0.192,451 -0.807,452 -1.063,454 -2,455 -0.783,456 0.448,457 -0.539,458 1.854,459 -0.018,460 -0.947,461 -1.224,463 -2.292,464 -0.868,465 10.9,466 0.495,467 0.647,468 0.029,469 29.25,470 1.33,471 15.5,472 0.705,473 13.75,474 0.625,475 15.021,476 0.683,477 22.1,478 0.713,479 20.773,480 0.944,481 5.946,482 0.27,483 4.579,484 0.208,485 0.168,487 0.367,493 0.819,494 0.812,495 0.604,496 0.638,497 0.698,498 0.641,499 0.57,500 1.04,501 0.56,502 0.837,503 0.459,504 0.876,505 1.041,506 1.038,507 1.038,508 1.077,509 0.896,510 1.107,511 1.228,512 0.93,513 0.745,514 0.854,515 1.069,516 0.988,517 0.875,518 0.924,519 0.858,520 0.899,521 0.772,522 0.975,523 0.949,524 0.931,525 0.855,526 0.86,527 0.927,528 1.022,529 1.006,530 0.872,531 0.992,532 0.866,533 1.098,534 0.989,535 0.874,536 1.133,537 1.361,538 1.216,539 0.971,540 1.105,541 5.5,542 0.12,543 2.444,544 1.764,545 0.872,546 0.737,547 0.362,548 0.291,549 0.141,550 0.135,551 5056,552 20952,553 2.043,554 29,556 7,559 2,564 1.642,565 1.886,566 3.239,567 0.393,569 1,571 1,573 56.447,574 1.821,575 3.626,576 4.325,577 4.825,578 4.954,579 4.954,580 2.681,581 4.096,582 4.432,583 3.396,584 784.421,585 7.597,586 8728.62,587 1,588 1,589 1,590 1,591 153.58,592 1.495,593 4.376,594 0.229,595 0.01,596 0.072,597 0.059,598 0.032,599 0.028,600 0.016,601 0.017,602 0.009,603 0.01,604 0.483,605 0.5,606 1,607 0.853,608 101.861,609 -0.13,610 0.085,611 -0.01,612 0.092,613 -0.126,614 0.08,615 0.178,616 -0.129,617 0.182,618 -0.012,619 0.167,620 -0.098,621 -0.139,622 -0.149,623 -0.149,624 -0.158,625 -0.079,626 -0.154,627 -0.179,628 -0.034,629 0.03,630 -0.023,631 -0.126,632 -0.038,633 0.09,634 -0.006,635 0.024,636 0.003,637 0.024,638 0.038,639 0.109,640 0.011,641 -0.014,642 0.013,643 0.015,644 -0.047,645 -0.133,646 0.092,647 0.045,648 0.136,649 -0.131,650 0.115,651 -0.099,652 -0.132,653 -0.163,654 -0.097,655 -0.05,656 -0.021,657 2.664,658 4.591,659 0.727,660 17.636,661 1.035,662 1.092,663 2.003,664 4.014,665 0.78,666 3.219,667 3.555,668 3.784,669 4.025,670 4.127,671 4.143,672 4.277,673 4.344,674 4.394,675 4.407,676 5.769,677 0.754,678 331.39,679 3.219,680 4.762,681 5.602,682 6.479,683 7.336,684 8.212,685 9.076,686 9.951,687 10.819,688 11.693,689 3.2,696 1,704 6,707 1,709 4,711 11,720 1,731 31,733 15,734 1,735 24,737 33,738 15,739 10,740 2,741 4,742 4,746 3,747 3,761 15,766 4,771 2,772 1,773 1,775 4,777 1,778 1,780 1,781 9,782 5,783 2,784 7,785 2,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,838 1,840 3,842 2,848 22,853 1,855 1,857 1,870 12.9,872 1,873 2,875 1,877 11.667,878 5.617,879 4.75,880 1.654,881 2.912,882 1.427,883 0.972,884 4.156,885 9.733,886 3.541,887 4.123,888 4.655,889 5.208,890 5.634,891 5.96,892 6.393,893 6.739,894 7.066,895 7.335,896 1,897 30,898 8.086,900 3.522,901 8.174,902 14.738,904 11.94,905 2.674,906 58.833,910 82.398,911 168.179,912 18.011,914 102.481,916 77.412,917 90.768,918 184.878,919 18.011,921 18.011,922 66.334,923 100.138,924 15.878,925 10.898,926 114.617,927 45.192,928 82.398,929 108.779,930 102.481,931 77.412,933 82.398,934 102.481,937 18.011,938 79.741,939 11.027,940 77.412,941 82.398,942 120.491,943 168.179,946 82.398,947 56.654,948 66.334,949 18.011,950 147.673,951 82.398,952 120.491,953 168.179,955 0.59,956 0.336,957 0.175,958 0.089,959 17,960 8,961 0.091,962 3,964 1,965 3.448,966 168.786,968 16,969 98.107,970 1,971 1,974 15.03,975 6.083,976 3.323,978 120.491,979 9.892,982 5.644,984 1.868,986 60.694,987 371.068,988 33.5,993 22.578,994 4.914,995 1.601,997 -0.369,999 32.098,1000 33.837,1001 0.368,1002 0.732,1003 0.873,1004 0.974,1005 1,1006 1,1007 4.777,1008 1.025,1009 5.602,1010 3.394,1011 4.234,1012 4.808,1013 3.826,1014 6.395,1015 4.162,1016 5.999,1017 1,1018 7.155,1019 2.671,1020 3.892,1021 4.635,1022 3.036,1023 7.226,1024 3.786,1025 7.31,1026 0.675,1027 8.801,1028 2.322,1029 5.82,1030 6.954,1031 6.575,1032 10.281,1033 5.699,1034 8.652,1035 -0.162,1036 10.498,1037 1.661,1038 6.256,1039 7.556,1040 6.466,1041 11.9,1042 6.108,1043 10.02,1044 -0.587,1045 12.227,1046 -0.471,1047 7.679,1048 9.362,1049 9.5,1050 14.445,1051 7.519,1052 11.407,1053 -0.636,1054 13.977,1055 -1.355,1056 8.459,1057 10.327,1058 9.734,1059 16.394,1060 8.271,1061 12.808,1062 -0.807,1063 15.743,1064 -1.546,1065 9.679,1066 11.91,1067 12.447,1068 18.746,1069 9.479,1070 3.002,1071 -0.947,1072 17.519,1073 -2,1074 10.618,1075 13.06,1076 12.919,1077 20.843,1078 10.391,1079 2.906,1080 9.451,1081 19.303,1082 -2.292,1083 11.753,1084 14.537,1085 15.402,1086 23.117,1087 11.512,1088 2.651,1089 9.048,1090 21.094,1091 4.04,1092 12.765,1093 15.786,1094 16.056,1095 25.281,1096 12.5,1097 2.248,1098 8.022,1099 22.889,1100 3.701,1101 13.865,1102 17.211,1103 18.364,1104 27.525,1105 13.586,1106 1.86,1107 6.69,1108 24.688,1109 3.463,1110 14.912,1111 18.515,1112 19.161,1113 29.721,1114 14.612,1115 1.56,1116 5.127,1117 26.491,1118 2.93,1119 15.999,1120 19.915,1121 21.331,1122 31.954,1123 15.685,1124 1.279,1125 4.034,1126 28.296,1127 2.495,1128 17.063,1129 21.25,1130 22.245,1131 34.166,1132 16.731,1133 4965,1134 10234,1135 15.72,1136 24.165,1137 37.211,1138 40.912,1139 37.547,1140 36.539,1141 36.41,1142 48.931,1143 15.045,1144 104.841,1145 34.945,1146 5.152,1147 6.866,1148 5.792,1149 5.086,1150 5.002,1151 7.04,1152 8.638,1153 15.902,1154 4.978,1155 11.902,1156 1.55,1157 1.705,1158 1.564,1159 1.522,1160 1.517,1161 2.039,1162 0.627,1163 4.368,1164 1.456,1165 4.03,1166 4.036,1167 4.202,1168 3.946,1169 7.475,1170 3.949,1171 3.822,1172 3.831,1173 3.964,1174 3.778,1175 7.429,1176 3.742,1177 3.653,1178 3.658,1179 3.718,1180 3.572,1181 6.351,1182 3.538,1183 3.266,1184 3.255,1185 3.375,1186 3.067,1187 5.075,1188 3.068,1189 3.005,1190 3.041,1191 3.204,1192 2.981,1193 4.781,1194 2.928,1195 2.81,1196 2.849,1197 2.922,1198 2.729,1199 4.622,1200 2.706,1201 2.711,1202 2.682,1203 2.725,1204 2.519,1205 3.992,1206 2.525,1207 2.59,1208 2.639,1209 2.488,1210 2.319,1211 3.625,1212 2.356,1213 0.182,1214 0.203,1215 0.26,1216 0.166,1217 0.125,1218 4.374,1219 0.168,1220 4.866,1221 0.188,1222 6.248,1223 0.394,1224 3.988,1225 0.124,1226 3.002,1227 4.04,1228 4.503,1229 9.451,1230 2.978,1231 1.921,1232 1.905,1233 2.013,1234 2.002,1235 1.117,1236 2.004,1237 1.638,1238 1.631,1239 1.717,1240 1.758,1241 0.837,1242 1.745,1243 1.386,1244 1.37,1245 1.502,1246 1.549,1247 0.581,1248 1.535,1249 1.267,1250 1.264,1251 1.274,1252 1.504,1253 0.257,1254 1.46,1255 1.119,1256 1.131,1257 1.236,1258 1.365,1259 0.235,1260 1.325,1261 1.03,1262 1.032,1263 1.074,1264 1.135,1265 0.225,1266 1.177,1267 0.683,1268 0.644,1269 0.848,1270 0.913,1272 0.929,1273 0.493,1274 0.453,1275 0.802,1276 0.792,1278 0.816,1279 3.892,1281 5.22,1282 3.045,1283 6.713,1284 5.352,1285 8.278,1286 7.368,1287 9.884,1294 9.006,1296 2.526,1298 1.174,1305 23.362,1306 56.447,1307 112.419,1308 134.07,1309 149.58,1310 153.58,1311 153.58,1312 40.513,1313 6.821,1314 83.3,1315 143.63,1316 16,1317 12.235,1318 4,1319 3.392,1320 34.606,1321 77,1322 65,1323 0.226,1324 151.17,1325 268.6,1326 360.615,1327 7661,1329 15.69,1330 0.713,1331 0.576,1332 16.543,1333 12.663,1334 10.525,1335 0.439,1336 0.31,1337 6.232,1338 9.493,1339 6.022,1340 4.957,1341 11.222,1342 7.437,1343 9.92,1344 0.292,1345 0.181,1346 11.158,1347 6.159,1348 7.867,1349 0.183,1350 0.095,1351 8.882,1352 4.099,1353 6.485,1354 0.118,1355 0.054,1356 7.667,1357 2.966,1358 4.73,1359 0.078,1360 0.029,1361 5.651,1362 1.763,1363 0.354,1364 73.075,1365 0.252,1366 21.781,1367 0.617,1368 116,1369 423.41,1370 174.03,1371 446.794,1372 588.15,1373 412,1374 135,1375 390.944,1376 175.694,1377 416.778,1378 610.32,1379 391,1380 4.699}
{0 CHEMBL378528,1 1.834,2 8.579,3 2.425,4 5.882,5 71.097,6 10.085,7 0.524,8 3.459,9 3.522,10 3.333,11 3.114,12 4.755,13 3.105,14 3.9,15 3.973,16 3.757,17 3.446,18 5.283,19 3.433,20 4.02,21 4.145,22 3.546,23 3.36,24 5.35,25 3.335,26 3.85,27 3.976,28 3.43,29 3.202,30 5.311,31 3.189,32 3.802,33 3.925,34 3.368,35 3.194,36 5.137,37 3.149,38 3.717,39 3.862,40 3.127,41 3.049,42 5.069,43 2.997,44 3.497,45 3.673,46 2.965,47 2.821,48 4.75,49 2.745,50 3.276,51 3.425,52 2.951,53 2.694,54 4.694,55 2.624,56 0.106,57 0.372,58 2.489,59 2.233,60 8.49,61 1.906,62 0.236,63 0.594,64 5.436,65 3.684,66 15.831,67 3.13,68 0.38,69 0.637,70 11.395,71 4.954,72 38.846,73 4.143,74 0.332,75 0.533,76 7.139,77 3.721,78 46.467,79 3.322,80 0.353,81 0.503,82 8.151,83 3.911,84 29.957,85 3.602,86 0.313,87 0.471,88 7.416,89 3.487,90 28.143,91 3.254,92 0.193,93 0.393,94 6.54,95 2.898,96 26.089,97 3.023,98 0.172,99 0.335,100 5.986,101 2.502,102 20.83,103 2.404,104 5,105 29,106 0.351,107 0.66,108 0.813,109 0.895,110 0.909,111 0.909,112 3.01,113 0.9,114 -2.38,115 -2.42,116 -2.37,119 48.1,135 1,138 1,142 5,145 1,146 1,152 2,158 1,159 1,172 3,175 6,178 2,180 1,183 3,186 1,187 5,192 1,195 2,198 1,199 4,207 3,211 1,212 3,215 1,217 1,220 4,223 1,224 2,229 1,232 2,237 2,245 2,249 1,250 1,253 1,255 1,258 1,262 1,263 2,268 1,271 1,275 403,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 11.142,282 5.141,283 7.688,284 13.149,285 10.399,286 10.399,287 10.399,288 10.399,289 10.399,290 7.709,291 3.8,292 3.704,293 10.815,294 2.921,295 1.306,296 0.504,297 0.074,300 3.687,304 1,305 1,306 353,307 2,310 103.905,311 61.848,318 1.435,319 23.322,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 42,331 163,332 4.346,333 4.802,334 6.205,335 3.95,336 2.982,337 3.989,338 4.337,339 9.311,340 2.907,341 4.195,342 3.599,343 6.122,344 3.819,345 2.861,346 3.601,347 1.058,348 8.985,349 2.711,350 3.739,351 3.116,352 5.298,353 3.318,354 2.338,355 3.208,356 0.508,357 6.793,358 2.287,359 3.359,360 2.907,361 4.763,362 2.864,363 1.885,364 2.549,366 5.145,367 1.803,368 3.126,369 2.33,370 4.358,371 2.677,372 1.682,373 2.315,375 4.21,376 1.662,377 2.789,378 1.717,379 4.086,380 2.244,381 1.293,382 1.784,384 3.431,385 1.209,386 2.5,387 1.513,388 3.482,389 1.986,390 1.026,391 1.5,393 2.568,394 0.972,395 2.47,396 1.1,397 3.265,398 1.955,399 1,400 1.416,402 2.136,403 0.951,404 2.166,405 1,406 3.247,407 1.671,408 0.674,409 1.002,411 1.653,412 0.671,413 1.183,414 0.802,415 2.835,416 0.765,417 -0.162,418 -0.207,420 -0.469,421 -0.148,422 1,423 0.679,424 2.256,425 0.489,426 -0.59,427 -0.844,428 -1.354,429 -0.613,430 0.748,431 0.183,432 2,433 0.294,434 -0.682,435 -0.944,436 -1.567,437 -0.666,438 0.5,439 -0.556,440 1.849,441 0.063,442 -0.946,443 -1.216,445 -2.347,446 -0.918,447 0.447,448 -0.702,449 1.555,450 -0.025,451 -1,452 -1.5,454 -2.475,455 -0.973,456 0.062,457 -1,458 1.429,459 -0.409,460 -1.403,461 -1.973,463 -3.79,464 -1.371,465 9.133,466 0.481,467 0.452,468 0.024,469 27,470 1.421,471 14.5,472 0.763,473 12.5,474 0.658,475 11.051,476 0.582,477 19.067,478 0.706,479 17.096,480 0.9,481 5.48,482 0.288,483 3.74,484 0.197,485 0.073,487 0.328,493 0.735,494 1.03,495 0.642,496 0.797,497 0.562,498 0.723,499 0.674,500 1.159,501 0.757,502 1.08,503 0.591,504 0.947,505 1.183,506 0.979,507 1.126,508 1.087,509 1.053,510 1.032,511 0.943,512 0.988,513 0.776,514 0.938,515 0.639,516 0.999,517 0.907,518 0.847,519 0.99,520 0.911,521 0.696,522 0.956,523 0.92,524 0.987,525 1.035,526 0.964,527 0.884,528 1.117,529 0.859,530 1.068,531 0.864,532 0.968,533 1.146,534 1.042,535 0.712,536 0.92,537 1.129,538 1.02,539 0.986,540 0.872,541 4,542 0.037,543 1.778,544 1.451,545 0.521,546 0.469,547 0.239,548 0.178,549 0.116,550 0.079,551 3505,552 12794,553 2.113,554 29.6,556 6,558 1,559 1,564 1.598,565 2,566 3.104,567 -0.198,571 1,573 49.521,574 1.834,575 3.449,576 4.251,577 4.681,578 4.755,579 4.755,580 2.505,581 3.827,582 4.222,583 3.227,584 551.748,585 7.167,586 5461.39,587 1,588 1,590 1,591 128.382,592 1.324,593 4.189,594 0.19,595 0.007,596 0.061,597 0.06,598 0.025,599 0.023,600 0.015,601 0.015,602 0.01,603 0.008,604 0.415,605 0.67,606 1,607 0.565,608 82.961,609 -0.092,610 -0.056,611 0.03,612 0.032,613 -0.076,614 0.032,615 0.118,616 -0.167,617 0.085,618 -0.166,619 0.03,620 -0.145,621 -0.14,622 -0.04,623 -0.129,624 -0.099,625 -0.124,626 -0.058,627 0.044,628 -0.057,629 0.053,630 -0.066,631 0.188,632 -0.063,633 0.102,634 0.074,635 -0.018,636 0.07,637 0.041,638 0.029,639 0.017,640 -0.058,641 -0.133,642 -0.048,643 0.009,644 -0.116,645 -0.041,646 -0.135,647 0.179,648 0.022,649 -0.108,650 0.071,651 0.144,652 0.142,653 0.125,654 0.116,655 0.07,656 0.179,657 2.064,658 4.391,659 0.842,660 13.38,661 1.034,662 1.103,663 1.153,664 1.33,665 0.752,666 3.091,667 3.401,668 3.638,669 3.892,670 3.951,671 3.912,672 4.043,673 4.111,674 4.143,675 4.111,676 5.159,677 0.739,678 272.3,679 3.091,680 4.615,681 5.451,682 6.319,683 7.171,684 8.041,685 8.899,686 9.769,687 10.631,688 11.501,689 7.4,696 1,699 1,704 6,705 1,707 1,709 3,711 11,731 27,733 14,735 21,737 29,738 13,739 9,742 3,746 3,747 3,761 13,766 3,771 2,773 1,775 3,778 1,780 1,781 8,782 5,783 1,784 6,785 1,790 2,792 1,794 1,795 3,805 1,811 2,812 1,831 2,837 1,840 3,842 1,848 19,855 1,857 1,870 11.1,873 2,875 1,877 9.5,878 4.95,879 4.139,880 1.478,881 2.744,882 1.423,883 1.008,884 3.133,885 9.23,886 3.418,887 3.984,888 4.518,889 5.076,890 5.463,891 5.725,892 6.155,893 6.515,894 6.804,895 7.028,896 0.833,897 24,898 6.981,900 3.021,901 8.07,902 12.836,904 10.332,905 2.57,906 48.833,910 82.398,911 121.104,912 34.796,914 59.797,916 32.22,917 88.884,918 142.195,919 34.796,921 18.011,922 56.857,923 85.102,924 21.312,925 13.967,926 102.846,928 82.398,929 123.681,930 59.797,931 32.22,933 82.398,934 59.797,937 29.815,938 66.053,939 27.813,940 32.22,941 82.398,942 94.593,943 121.104,946 82.398,947 55.199,948 65.905,949 18.011,950 76.583,951 82.398,952 94.593,953 121.104,955 0.58,956 0.332,957 0.182,958 0.09,959 15,960 6,961 0.069,962 2,964 1,965 3.253,966 137.101,968 16,969 80.711,970 1,974 12.055,975 4.938,976 2.56,978 94.593,979 10.69,980 4.168,982 5.572,984 1.835,986 18.011,987 298.095,988 29.5,993 22.421,995 1.539,997 -0.439,999 27.913,1000 29.79,1001 0.386,1002 0.725,1003 0.894,1004 0.984,1005 1,1006 1,1007 4.632,1008 1,1009 5.425,1010 2.568,1011 4.078,1012 4.668,1013 3.666,1014 6.196,1015 4.005,1016 5.835,1017 0.674,1018 6.956,1019 2.136,1020 3.611,1021 4.35,1022 2.89,1023 6.969,1024 3.515,1025 7.13,1026 -0.162,1027 8.582,1028 1.653,1029 5.631,1030 6.79,1031 6.42,1032 10.051,1033 5.489,1034 8.459,1035 -0.59,1036 10.264,1037 -0.469,1038 5.994,1039 7.29,1040 6.24,1041 11.662,1042 5.817,1043 9.817,1044 -0.682,1045 11.982,1046 -1.354,1047 7.468,1048 9.172,1049 9.282,1050 14.213,1051 7.257,1052 11.196,1053 -0.946,1054 13.725,1055 -1.567,1056 8.211,1057 10.067,1058 9.437,1059 16.168,1060 7.96,1061 12.591,1062 -1,1063 15.486,1064 -2.347,1065 9.457,1066 11.695,1067 12.158,1068 18.52,1069 9.177,1070 2.982,1071 -1.403,1072 17.259,1073 -2.475,1074 10.379,1075 12.799,1076 12.55,1077 20.622,1078 10.059,1079 2.861,1080 9.311,1081 19.043,1082 -3.79,1083 11.526,1084 14.301,1085 15.039,1086 22.896,1087 11.178,1088 2.338,1089 8.985,1090 20.833,1091 3.989,1092 12.531,1093 15.519,1094 15.615,1095 25.061,1096 12.145,1097 1.885,1098 6.793,1099 22.629,1100 3.601,1101 13.637,1102 16.956,1103 17.926,1104 27.302,1105 13.223,1106 1.682,1107 5.145,1108 24.43,1109 3.208,1110 14.68,1111 18.239,1112 18.648,1113 29.497,1114 14.232,1115 1.293,1116 4.21,1117 26.234,1118 2.549,1119 15.769,1120 19.643,1121 20.819,1122 31.724,1123 15.293,1124 1.026,1125 3.431,1126 28.041,1127 2.315,1128 16.83,1129 20.963,1130 21.659,1131 33.932,1132 16.322,1133 3389,1134 6620,1135 14.216,1136 20.307,1137 32.093,1138 35.081,1139 32.082,1140 31.486,1141 31.479,1142 42.725,1143 11.807,1144 88.464,1145 30.344,1146 5.124,1147 6.802,1148 6.006,1149 5.043,1150 4.982,1151 6.989,1152 8.335,1153 15.633,1154 4.872,1155 7.482,1156 1.528,1157 1.671,1158 1.528,1159 1.499,1160 1.499,1161 2.035,1162 0.562,1163 4.213,1164 1.445,1165 4.006,1166 4.017,1167 4.084,1168 3.89,1169 7.449,1170 3.9,1171 3.789,1172 3.81,1173 3.903,1174 3.703,1175 7.409,1176 3.686,1177 3.64,1178 3.655,1179 3.629,1180 3.507,1181 5.103,1182 3.501,1183 3.042,1184 3.068,1185 3.038,1186 2.874,1187 4.792,1188 2.887,1189 2.831,1190 2.88,1191 2.904,1192 2.684,1193 4.135,1194 2.682,1195 2.765,1196 2.791,1197 2.671,1198 2.53,1199 3.831,1200 2.553,1201 2.672,1202 2.704,1203 2.604,1204 2.458,1205 3.663,1206 2.468,1207 2.244,1208 2.261,1209 2.305,1210 1.983,1211 3.623,1212 1.944,1213 0.207,1214 0.229,1215 0.295,1216 0.188,1217 0.142,1218 4.346,1219 0.19,1220 4.802,1221 0.207,1222 6.205,1223 0.443,1224 3.95,1225 0.138,1226 2.982,1227 3.989,1228 4.337,1229 9.311,1230 2.907,1231 1.841,1232 1.809,1233 1.95,1234 1.969,1235 0.976,1236 1.963,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.833,1242 1.745,1243 1.369,1244 1.343,1245 1.502,1246 1.568,1247 0.576,1248 1.534,1249 1.236,1250 1.222,1251 1.299,1252 1.493,1253 0.236,1254 1.473,1255 1.05,1256 1.073,1257 1.12,1258 1.233,1259 0.164,1260 1.209,1261 0.787,1262 0.721,1263 1.006,1264 1.004,1265 0.038,1266 1.033,1267 0.528,1268 0.471,1269 0.737,1270 0.798,1272 0.792,1273 0.268,1274 0.235,1275 0.528,1276 0.636,1278 0.607,1279 3.761,1281 5.069,1282 3.045,1283 6.547,1284 5.352,1285 8.098,1286 7.368,1287 9.689,1296 2.188,1298 0.859,1305 19.955,1306 49.521,1307 93.121,1308 114.772,1309 126.382,1310 128.382,1311 128.382,1312 28.884,1313 6.486,1314 75.96,1315 104.2,1316 16,1317 12.046,1318 3.907,1319 3.248,1320 27.948,1321 59,1322 50,1323 0.237,1324 126.58,1325 220.34,1326 300.615,1327 4982,1329 13.242,1330 0.697,1331 0.549,1332 13.596,1333 10.438,1334 9.22,1335 0.439,1336 0.3,1337 5.466,1338 8.377,1339 5.317,1340 4.388,1341 9.629,1342 6.3,1343 8.387,1344 0.289,1345 0.165,1346 9.115,1347 4.784,1348 6.818,1349 0.184,1350 0.088,1351 7.539,1352 3.27,1353 5.791,1354 0.121,1355 0.048,1356 6.559,1357 2.289,1358 4.098,1359 0.08,1360 0.025,1361 4.653,1362 1.256,1363 0.37,1364 62.238,1365 0.265,1366 19.137,1367 0.654,1368 100,1369 368.045,1370 139.7,1371 369.57,1372 496.58,1373 344,1374 116,1375 345.007,1376 148.569,1377 360.163,1378 527.84,1379 339,1380 6.733}
{0 CHEMBL378999,1 1.82,2 9.364,3 2.759,4 7.611,5 81.057,6 10.411,7 0.458,8 3.563,9 3.612,10 3.441,11 3.224,12 4.964,13 3.226,14 3.982,15 4.033,16 3.872,17 3.578,18 5.42,19 3.575,20 4.167,21 4.258,22 3.754,23 3.563,24 5.608,25 3.558,26 4.122,27 4.233,28 3.686,29 3.452,30 5.688,31 3.454,32 4.063,33 4.183,34 3.633,35 3.403,36 5.526,37 3.394,38 3.942,39 4.068,40 3.418,41 3.266,42 5.543,43 3.243,44 3.731,45 3.9,46 3.172,47 3.069,48 5.121,49 3.005,50 3.492,51 3.613,52 3.25,53 2.945,54 4.934,55 2.9,56 0.166,57 0.385,58 2.382,59 2.421,60 22.573,61 1.841,62 0.272,63 0.598,64 4.553,65 3.952,66 31.656,67 3.239,68 0.443,69 0.69,70 10.213,71 5.537,72 64.958,73 4.375,74 0.549,75 0.672,76 8.189,77 4.778,78 87.638,79 4.01,80 0.495,81 0.641,82 9.903,83 4.926,84 64.067,85 4.442,86 0.457,87 0.577,88 7.907,89 4.154,90 64.196,91 3.751,92 0.297,93 0.491,94 7.083,95 3.533,96 59.175,97 3.389,98 0.197,99 0.39,100 6.984,101 3.151,102 38.538,103 2.673,104 18,105 34,106 0.336,107 0.715,108 0.823,109 0.895,110 0.907,111 0.907,112 3.147,113 0.871,114 -2.06,115 -2.1,116 -2.09,119 50,135 1,138 1,142 5,143 2,144 1,152 2,158 2,159 1,172 5,175 6,178 2,180 3,183 7,187 5,192 3,195 5,198 1,199 6,202 1,204 2,207 5,211 1,212 2,215 1,217 2,220 5,223 2,224 3,227 1,229 2,232 4,237 3,242 1,245 2,250 3,255 2,258 2,263 3,266 1,267 1,268 2,271 1,275 600,276 14.696,277 14.696,278 14.696,279 14.696,280 14.696,281 12.843,282 10.622,283 8.488,284 14.947,285 11.777,286 11.777,287 11.777,288 11.777,289 11.777,290 8.748,291 7.307,292 3.978,293 12.183,294 3.087,295 1.037,296 0.454,297 0.067,300 3.821,303 1,304 1,305 1,306 438,307 2.449,310 121.872,311 73.771,318 1.512,319 34.712,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 49,331 206,332 4.442,333 4.802,334 6.487,335 4.053,336 3.064,337 4.139,338 4.337,339 10.12,340 3.031,341 4.259,342 4.058,343 6.148,344 3.871,345 2.927,346 3.719,347 2.035,348 9.086,349 2.754,350 3.969,351 3.599,352 5.482,353 3.517,354 2.528,355 3.426,356 1.058,357 7.303,358 2.492,359 3.712,360 3.124,361 5.21,362 3.199,363 2.214,364 2.974,365 0.508,366 6.46,367 2.177,368 3.374,369 3.093,370 4.875,371 2.887,372 1.915,373 2.546,375 5.377,376 1.825,377 3.152,378 2.56,379 4.718,380 2.729,381 1.74,382 2.302,384 4.895,385 1.695,386 2.935,387 2.26,388 4.136,389 2.238,390 1.287,391 1.765,393 3.534,394 1.204,395 2.777,396 1.914,397 3.867,398 1.993,399 1.023,400 1.423,402 2.808,403 0.977,404 2.473,405 1.521,406 3.276,407 1.684,408 0.688,409 1.073,411 1.676,412 0.685,413 2.173,414 1.09,415 2.893,416 1.51,417 0.569,418 1.008,420 0.926,421 0.533,422 1.3,423 0.803,424 2.835,425 0.825,426 -0.104,427 -0.137,428 -0.229,429 -0.095,430 1.169,431 0.707,432 2.524,433 0.696,434 -0.231,435 -0.32,436 -0.568,437 -0.211,438 1,439 0.498,440 2.138,441 0.485,442 -0.595,443 -0.862,445 -1.363,446 -0.622,447 0.675,448 0.179,449 2,450 0.215,451 -0.777,452 -1.081,454 -2.257,455 -0.768,456 0.448,457 -0.384,458 1.857,459 0.064,460 -0.947,461 -1.233,463 -2.617,464 -0.924,465 10.467,466 0.476,467 0.609,468 0.028,469 32,470 1.455,471 18,472 0.818,473 14,474 0.636,475 13.524,476 0.615,477 21.933,478 0.731,479 22.486,480 1.022,481 6.37,482 0.29,483 4.193,484 0.191,485 0.134,487 0.382,493 0.826,494 0.86,495 0.669,496 0.721,497 0.655,498 0.652,499 0.635,500 1.024,501 0.722,502 1.058,503 0.558,504 0.91,505 1.175,506 1.071,507 1.132,508 1.177,509 0.983,510 1.132,511 0.951,512 0.947,513 0.828,514 0.923,515 0.867,516 1.054,517 0.997,518 0.911,519 0.937,520 0.913,521 0.807,522 0.941,523 0.857,524 0.957,525 1.007,526 0.952,527 0.759,528 1.135,529 0.924,530 0.921,531 0.957,532 0.839,533 1.217,534 1.035,535 0.857,536 1.12,537 1.184,538 1.238,539 1.088,540 0.941,541 5.5,542 0.09,543 2.444,544 1.951,545 1.058,546 0.754,547 0.336,548 0.25,549 0.184,550 0.159,551 4940,552 20295,553 2.043,554 26.7,556 6,559 2,564 1.643,565 1.886,566 3.205,567 0.393,569 1,571 1,573 54.603,574 1.82,575 3.87,576 4.453,577 4.84,578 4.907,579 4.907,580 2.642,581 4.187,582 4.432,583 3.352,584 774.402,585 7.604,586 8555,587 1,588 1,589 1,590 1,591 147.207,592 1.495,593 4.376,594 0.229,595 0.008,596 0.072,597 0.063,598 0.038,599 0.028,600 0.015,601 0.016,602 0.011,603 0.01,604 0.49,605 0.5,606 1,607 0.853,608 101.393,609 -0.139,610 0.075,611 -0.007,612 0.116,613 -0.088,614 0.092,615 0.107,616 -0.097,617 0.092,618 -0.137,619 0.03,620 -0.11,621 -0.199,622 -0.189,623 -0.191,624 -0.205,625 -0.137,626 -0.175,627 0.062,628 -0.03,629 0.007,630 -0.045,631 0.018,632 -0.089,633 0.015,634 0.016,635 0.047,636 0.058,637 -0.016,638 0.091,639 0.099,640 -0.014,641 -0.11,642 -0.043,643 0.119,644 -0.128,645 -0.125,646 0.06,647 0.08,648 0.135,649 -0.198,650 0.106,651 -0.043,652 -0.103,653 0.159,654 -0.037,655 -0.118,656 0.148,657 2.137,658 4.465,659 0.727,660 17.157,661 1.041,662 1.1,663 0.826,664 0.681,665 0.759,666 3.219,667 3.555,668 3.807,669 4.06,670 4.174,671 4.19,672 4.277,673 4.344,674 4.407,675 4.443,676 5.624,677 0.756,678 312.32,679 3.219,680 4.762,681 5.609,682 6.491,683 7.356,684 8.238,685 9.109,686 9.99,687 10.865,688 11.746,689 6.7,696 1,698 1,704 5,707 1,709 5,711 11,713 1,728 1,731 30,733 15,734 1,735 24,737 32,738 15,739 10,740 3,741 3,742 3,746 3,747 3,760 1,761 14,766 3,771 2,773 1,775 3,777 1,778 1,780 1,781 8,782 6,783 2,784 7,785 1,790 2,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,848 22,853 1,855 1,857 1,861 1,866 1,868 1,870 13.3,872 1,873 2,875 1,877 11.667,878 5.567,879 4.833,880 1.614,881 3.027,882 1.444,883 0.967,884 3.76,885 9.85,886 3.57,887 4.139,888 4.711,889 5.268,890 5.715,891 6.079,892 6.449,893 6.793,894 7.134,895 7.42,896 1,897 31,898 8.085,900 3.559,901 8.303,902 14.55,904 11.784,905 2.803,906 61.667,910 70.627,911 132.273,912 49.07,914 102.481,916 32.22,917 100.053,918 173.107,919 49.07,921 18.011,922 56.857,923 115.83,924 46.938,925 13.967,926 102.846,928 70.627,929 149.123,930 102.481,931 32.22,933 70.627,934 102.481,937 49.07,938 89.026,939 11.027,940 32.22,941 70.627,942 151.551,943 132.273,946 70.627,947 58.814,948 56.857,949 34.612,950 133.54,951 70.627,952 151.551,953 132.273,955 0.586,956 0.344,957 0.184,958 0.095,959 17,960 8,961 0.063,962 2,964 1,965 3.424,966 170.267,968 16,969 98.107,970 1,974 14.456,975 5.722,976 2.941,978 151.551,979 7.633,982 5.545,984 1.472,986 60.694,987 354.45,988 34.5,993 22.557,995 1.444,997 -0.662,999 31.24,1000 33,1001 0.371,1002 0.789,1003 0.908,1004 0.986,1005 1,1006 1,1007 4.818,1008 1.023,1009 5.609,1010 3.534,1011 4.234,1012 4.824,1013 3.858,1014 6.415,1015 4.172,1016 6.052,1017 0.688,1018 7.169,1019 2.808,1020 3.892,1021 4.649,1022 2.89,1023 7.273,1024 3.807,1025 7.369,1026 0.569,1027 8.821,1028 1.676,1029 5.832,1030 7,1031 6.474,1032 10.346,1033 5.717,1034 8.716,1035 -0.104,1036 10.525,1037 0.926,1038 6.275,1039 7.62,1040 6.24,1041 12.007,1042 6.13,1043 10.089,1044 -0.231,1045 12.261,1046 -0.229,1047 7.701,1048 9.434,1049 9.295,1050 14.589,1051 7.537,1052 11.48,1053 -0.595,1054 14.021,1055 -0.568,1056 8.497,1057 10.428,1058 9.437,1059 16.598,1060 8.3,1061 12.886,1062 -0.777,1063 15.798,1064 -1.363,1065 9.724,1066 12.016,1067 12.161,1068 19.001,1069 9.51,1070 3.064,1071 -0.947,1072 17.589,1073 -2.257,1074 10.683,1075 13.2,1076 12.55,1077 21.167,1078 10.439,1079 2.927,1080 10.12,1081 19.391,1082 -2.617,1083 11.83,1084 14.686,1085 15.04,1086 23.501,1087 11.57,1088 2.528,1089 9.086,1090 21.203,1091 4.139,1092 12.864,1093 15.97,1094 15.615,1095 25.738,1096 12.579,1097 2.214,1098 7.303,1099 23.021,1100 3.719,1101 13.981,1102 17.409,1103 17.927,1104 28.047,1105 13.68,1106 1.915,1107 6.46,1108 24.846,1109 3.426,1110 15.05,1111 18.746,1112 18.648,1113 30.317,1114 14.729,1115 1.74,1116 5.377,1117 26.676,1118 2.974,1119 16.156,1120 20.165,1121 20.819,1122 32.618,1123 15.82,1124 1.287,1125 4.895,1126 28.511,1127 2.546,1128 17.243,1129 21.533,1130 21.659,1131 34.904,1132 16.889,1133 4860,1134 9977,1135 15.72,1136 22.761,1137 37.779,1138 41.962,1139 37.524,1140 35.946,1141 35.912,1142 48.747,1143 15.876,1144 104.372,1145 34.744,1146 5.22,1147 6.802,1148 6.036,1149 5.145,1150 5.064,1151 7.139,1152 8.335,1153 16.865,1154 5.031,1155 11.791,1156 1.574,1157 1.748,1158 1.564,1159 1.498,1160 1.496,1161 2.031,1162 0.662,1163 4.349,1164 1.448,1165 4.03,1166 4.035,1167 4.088,1168 3.942,1169 7.449,1170 3.95,1171 3.823,1172 3.834,1173 3.942,1174 3.75,1175 7.409,1176 3.737,1177 3.659,1178 3.667,1179 3.688,1180 3.528,1181 6.82,1182 3.521,1183 3.205,1184 3.239,1185 3.186,1186 3.033,1187 6.469,1188 3.064,1189 3.033,1190 3.06,1191 3.032,1192 2.86,1193 5.059,1194 2.873,1195 2.829,1196 2.857,1197 2.897,1198 2.676,1199 4.5,1200 2.679,1201 2.721,1202 2.716,1203 2.67,1204 2.486,1205 4.133,1206 2.504,1207 2.641,1208 2.687,1209 2.541,1210 2.334,1211 3.663,1212 2.376,1213 0.185,1214 0.2,1215 0.27,1216 0.169,1217 0.128,1218 4.442,1219 0.172,1220 4.802,1221 0.181,1222 6.487,1223 0.422,1224 4.053,1225 0.126,1226 3.064,1227 4.139,1228 4.337,1229 10.12,1230 3.031,1231 1.914,1232 1.9,1233 1.988,1234 1.995,1235 1.092,1236 1.992,1237 1.638,1238 1.63,1239 1.717,1240 1.76,1241 0.835,1242 1.745,1243 1.387,1244 1.365,1245 1.503,1246 1.568,1247 0.575,1248 1.538,1249 1.24,1250 1.224,1251 1.3,1252 1.513,1253 0.236,1254 1.481,1255 1.108,1256 1.107,1257 1.186,1258 1.3,1259 0.165,1260 1.267,1261 1.022,1262 1.012,1263 1.093,1264 1.226,1265 0.1,1266 1.2,1267 0.678,1268 0.636,1269 0.846,1270 0.917,1272 0.921,1273 0.486,1274 0.434,1275 0.719,1276 0.87,1278 0.831,1279 3.892,1281 5.22,1282 3.045,1283 6.72,1284 5.352,1285 8.298,1286 7.368,1287 9.921,1294 9.856,1296 2.149,1298 0.792,1303 8.898,1304 1.982,1305 22.67,1306 54.603,1307 116.087,1308 133.597,1309 145.207,1310 147.207,1311 147.207,1312 46.449,1313 6.823,1314 107.09,1315 135.33,1316 16,1317 12.282,1318 4,1319 3.524,1320 34.55,1321 75,1322 66,1323 0.232,1324 143.906,1325 258.45,1326 342.89,1327 7595,1329 15.69,1330 0.713,1331 0.537,1332 16.043,1333 11.808,1334 10.563,1335 0.44,1336 0.29,1337 6.125,1338 9.677,1339 5.958,1340 4.908,1341 10.971,1342 6.965,1343 9.717,1344 0.286,1345 0.159,1346 10.446,1347 5.413,1348 8.051,1349 0.183,1350 0.085,1351 8.772,1352 3.744,1353 6.621,1354 0.116,1355 0.045,1356 7.39,1357 2.591,1358 4.883,1359 0.076,1360 0.023,1361 5.437,1362 1.481,1363 0.362,1364 70.77,1365 0.252,1366 21.681,1367 0.642,1368 116,1369 440.195,1370 156.777,1371 442.692,1372 585.2,1373 408,1374 136,1375 401.981,1376 169.341,1377 420.139,1378 612.18,1379 394,1380 6.658}
{0 CHEMBL379156,1 1.916,2 9.286,3 3.085,4 9.52,5 75.536,6 10.528,7 0.478,8 3.543,9 3.591,10 3.422,11 3.171,12 4.922,13 3.181,14 3.978,15 4.029,16 3.872,17 3.52,18 5.471,19 3.533,20 4.158,21 4.255,22 3.729,23 3.469,24 5.629,25 3.487,26 4.072,27 4.175,28 3.665,29 3.341,30 5.764,31 3.361,32 4.017,33 4.142,34 3.516,35 3.307,36 5.423,37 3.287,38 3.877,39 4.02,40 3.323,41 3.144,42 5.375,43 3.116,44 3.653,45 3.812,46 3.155,47 2.933,48 5.085,49 2.901,50 3.45,51 3.568,52 3.225,53 2.846,54 4.929,55 2.82,56 0.222,57 0.441,58 2.258,59 2.597,60 28.244,61 1.913,62 0.356,63 0.7,64 4.374,65 4.223,66 37.04,67 3.319,68 0.636,69 0.808,70 10.973,71 5.757,72 90.683,73 4.208,74 0.721,75 0.704,76 7.991,77 4.819,78 104.849,79 4.004,80 0.626,81 0.654,82 10.067,83 4.961,84 73.188,85 4.244,86 0.558,87 0.588,88 8.613,89 4.235,90 60.233,91 4.032,92 0.394,93 0.519,94 6.959,95 3.504,96 62.529,97 3.184,98 0.276,99 0.427,100 7.16,101 3.193,102 46.152,103 2.565,104 17,105 33,106 0.361,107 0.714,108 0.827,109 0.903,110 0.916,111 0.916,112 3.103,113 0.871,114 -2.78,115 -2.79,116 -2.7,119 48.3,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,172 3,175 5,178 2,180 3,183 6,187 3,192 2,195 4,198 1,199 4,202 1,204 2,207 5,211 1,212 1,215 1,217 2,220 4,223 1,224 2,229 2,232 3,237 2,242 1,245 1,250 2,255 2,258 2,263 3,266 1,267 1,268 2,275 501,276 13.826,277 13.826,278 13.826,279 13.826,280 13.826,281 12.012,282 8.925,283 7.98,284 14.13,285 11.349,286 11.349,287 11.349,288 11.349,289 11.349,290 8.508,291 6.502,292 3.822,293 11.854,294 2.941,295 1.073,296 0.469,297 0.069,300 3.776,304 1,305 1,306 417,307 2.236,310 116.949,311 69.581,318 1.51,319 38.12,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 48,331 195,332 4.427,333 4.802,334 6.475,335 4.04,336 3.055,337 4.119,338 4.337,339 10.059,340 3.012,341 4.253,342 3.599,343 6.148,344 3.868,345 2.924,346 3.707,347 1.058,348 9.085,349 2.748,350 3.924,351 3.161,352 5.481,353 3.5,354 2.526,355 3.412,356 0.508,357 7.271,358 2.451,359 3.517,360 3.112,361 5.091,362 3.111,363 2.157,364 2.825,366 6.15,367 2.041,368 3.328,369 2.786,370 4.776,371 2.847,372 1.873,373 2.495,375 5.17,376 1.778,377 3.042,378 2.443,379 4.63,380 2.621,381 1.657,382 2.186,384 4.609,385 1.576,386 2.788,387 1.885,388 4.132,389 2.269,390 1.307,391 1.821,393 3.532,394 1.243,395 2.551,396 1.525,397 3.898,398 2.063,399 1.111,400 1.505,402 2.999,403 1.033,404 2.183,405 1.247,406 3.278,407 1.698,408 0.703,409 1.031,411 1.7,412 0.698,413 1.283,414 0.806,415 2.882,416 0.914,417 -0.019,418 -0.024,420 -0.048,421 -0.017,422 1.152,423 0.735,424 2.569,425 0.711,426 -0.217,427 -0.284,428 -0.603,429 -0.198,430 1,431 0.345,432 2.359,433 0.484,434 -0.515,435 -0.621,436 -1.242,437 -0.444,438 0.796,439 0.162,440 2,441 0.383,442 -0.596,443 -0.865,445 -1.366,446 -0.623,447 0.458,448 0.021,449 1.919,450 0.082,451 -0.922,452 -1.171,454 -2.441,455 -0.891,456 0.178,457 -0.578,458 1.83,459 -0.195,460 -1.126,461 -1.45,463 -3.103,464 -1.046,465 9.852,466 0.469,467 0.647,468 0.031,469 28.5,470 1.357,471 15,472 0.714,473 13.5,474 0.643,475 13.392,476 0.638,477 21.948,478 0.757,479 20.317,480 0.967,481 5.858,482 0.279,483 4.166,484 0.198,485 0.13,487 0.406,491 1,493 0.753,494 0.801,495 0.654,496 0.74,497 0.654,498 0.671,499 0.656,500 1.008,501 0.702,502 1.078,503 0.598,504 0.931,505 1.238,506 1.036,507 1.171,508 1.13,509 1.13,510 1.097,511 0.828,512 0.886,513 0.79,514 0.935,515 0.688,516 1.067,517 0.976,518 0.754,519 1.04,520 0.866,521 0.807,522 0.994,523 0.66,524 0.876,525 0.929,526 0.94,527 0.716,528 1.118,529 1.09,530 1.046,531 0.941,532 0.845,533 1.224,534 0.959,535 0.989,536 1.098,537 1.202,538 1.222,539 1.117,540 0.894,541 5.5,542 0.075,543 2.444,544 2.076,545 0.858,546 0.716,547 0.304,548 0.281,549 0.175,550 0.155,551 4431,552 19216,553 2.045,554 27.6,556 6,559 2,564 1.628,565 1.881,566 3.179,567 0.425,569 1,571 1,573 55.578,574 1.916,575 3.785,576 4.389,577 4.789,578 4.858,579 4.858,580 2.661,581 3.88,582 4.366,583 3.329,584 699.13,585 7.461,586 7431.39,587 1,588 1,589 1,590 1,591 140.881,592 1.51,593 4.305,594 0.239,595 0.009,596 0.074,597 0.072,598 0.033,599 0.031,600 0.016,601 0.019,602 0.012,603 0.011,604 0.516,605 0.5,606 1,607 0.665,608 95.21,609 -0.12,610 0.044,611 -0.009,612 0.111,613 -0.104,614 0.094,615 0.051,616 -0.128,617 0.088,618 -0.154,619 0.023,620 -0.123,621 -0.256,622 -0.092,623 -0.228,624 -0.159,625 -0.203,626 -0.147,627 0.151,628 -0.009,629 0.041,630 -0.064,631 0.177,632 -0.117,633 -0.064,634 0.052,635 -0.057,636 0.091,637 -0.074,638 0.045,639 0.175,640 -0.042,641 0.014,642 -0.03,643 0.078,644 -0.047,645 -0.162,646 -0.027,647 0.106,648 0.135,649 -0.178,650 0.153,651 -0.111,652 -0.077,653 0.137,654 -0.01,655 -0.121,656 0.184,657 2.22,658 4.94,659 0.762,660 15.864,661 1.053,662 1.112,663 1.546,664 2.39,665 0.74,666 3.178,667 3.526,668 3.761,669 4.025,670 4.094,671 4.127,672 4.19,673 4.277,674 4.357,675 4.331,676 5.498,677 0.743,678 305.3,679 3.178,680 4.727,681 5.572,682 6.457,683 7.317,684 8.201,685 9.067,686 9.951,687 10.819,688 11.702,689 3.4,696 1,704 5,707 1,709 5,711 11,728 1,730 1,731 29,733 14,734 1,735 23,737 31,738 14,739 10,740 3,741 3,742 3,746 3,747 3,761 14,766 3,771 2,773 1,775 3,778 1,779 1,780 1,781 8,782 6,783 2,784 7,785 1,790 1,792 1,794 1,795 4,811 2,812 1,831 2,837 1,840 3,842 1,846 1,848 21,853 1,855 1,857 1,869 1,870 13.8,872 1,873 2,875 1,877 11.167,878 5.26,879 4.5,880 1.537,881 2.812,882 1.418,883 0.977,884 3.573,885 9.533,886 3.481,887 4.09,888 4.626,889 5.195,890 5.597,891 5.929,892 6.284,893 6.662,894 7.007,895 7.223,896 1,897 29,898 7.769,900 3.484,901 8.413,902 13.863,904 11.309,905 2.913,906 61.167,910 70.627,911 121.606,912 18.011,914 102.481,915 14.96,916 32.22,917 89.387,918 173.107,919 32.971,921 18.011,922 56.857,923 99.229,924 21.814,925 28.928,926 102.846,928 70.627,929 107.398,930 117.441,931 32.22,933 85.587,934 102.481,937 18.011,938 78.36,939 11.027,940 32.22,941 85.587,942 120.491,943 121.606,946 70.627,947 64.749,948 56.857,949 18.011,950 117.441,951 70.627,952 135.451,953 121.606,955 0.594,956 0.339,957 0.183,958 0.089,959 17,960 8,961 0.065,962 2,964 1,965 3.346,966 159.685,968 16,969 92.239,970 1,974 13.922,975 5.39,976 2.865,978 135.451,979 6.741,982 5.472,984 0.213,986 60.694,987 327.684,988 31.5,993 22.461,995 1.426,997 -0.689,999 30.535,1000 32.256,1001 0.395,1002 0.779,1003 0.903,1004 0.986,1005 1,1006 1,1007 4.725,1008 1.111,1009 5.58,1010 3.532,1011 4.205,1012 4.775,1013 3.666,1014 6.385,1015 4.125,1016 5.956,1017 0.703,1018 7.14,1019 2.999,1020 3.892,1021 4.649,1022 2.89,1023 7.235,1024 3.766,1025 7.274,1026 -0.019,1027 8.791,1028 1.7,1029 5.802,1030 6.949,1031 6.42,1032 10.311,1033 5.658,1034 8.623,1035 -0.217,1036 10.494,1037 -0.048,1038 6.256,1039 7.586,1040 6.24,1041 11.967,1042 6.066,1043 9.999,1044 -0.515,1045 12.23,1046 -0.603,1047 7.673,1048 9.383,1049 9.282,1050 14.552,1051 7.471,1052 11.392,1053 -0.596,1054 13.99,1055 -1.242,1056 8.474,1057 10.383,1058 9.437,1059 16.558,1060 8.231,1061 12.8,1062 -0.922,1063 15.767,1064 -1.366,1065 9.697,1066 11.965,1067 12.158,1068 18.96,1069 9.442,1070 3.055,1071 -1.126,1072 17.558,1073 -2.441,1074 10.658,1075 13.149,1076 12.55,1077 21.121,1078 10.368,1079 2.924,1080 10.059,1081 19.361,1082 -3.103,1083 11.803,1084 14.632,1085 15.039,1086 23.453,1087 11.498,1088 2.526,1089 9.085,1090 21.173,1091 4.119,1092 12.837,1093 15.913,1094 15.615,1095 25.683,1096 12.503,1097 2.157,1098 7.271,1099 22.992,1100 3.707,1101 13.951,1102 17.349,1103 17.926,1104 27.989,1105 13.602,1106 1.873,1107 6.15,1108 24.817,1109 3.412,1110 15.019,1111 18.683,1112 18.648,1113 30.252,1114 14.646,1115 1.657,1116 5.17,1117 26.647,1118 2.825,1119 16.123,1120 20.098,1121 20.819,1122 32.548,1123 15.734,1124 1.307,1125 4.609,1126 28.482,1127 2.495,1128 17.208,1129 21.462,1130 21.659,1131 34.827,1132 16.799,1133 4340,1134 9155,1135 15.027,1136 21.455,1137 35.372,1138 38.934,1139 36.187,1140 34.737,1141 34.626,1142 46.2,1143 11.807,1144 101.15,1145 33.159,1146 5.204,1147 6.802,1148 5.768,1149 5.133,1150 5.055,1151 7.119,1152 8.335,1153 16.866,1154 5.012,1155 11.384,1156 1.538,1157 1.693,1158 1.573,1159 1.51,1160 1.505,1161 2.009,1162 0.513,1163 4.398,1164 1.442,1165 4.025,1166 4.03,1167 4.087,1168 3.928,1169 8.201,1170 3.937,1171 3.814,1172 3.825,1173 3.936,1174 3.735,1175 7.449,1176 3.721,1177 3.652,1178 3.661,1179 3.676,1180 3.515,1181 7.409,1182 3.51,1183 3.052,1184 3.077,1185 3.048,1186 2.877,1187 6.469,1188 2.896,1189 2.947,1190 2.975,1191 2.94,1192 2.746,1193 5.059,1194 2.753,1195 2.854,1196 2.881,1197 2.84,1198 2.668,1199 4.434,1200 2.69,1201 2.732,1202 2.718,1203 2.739,1204 2.484,1205 4.126,1206 2.504,1207 2.315,1208 2.354,1209 2.318,1210 2.01,1211 3.629,1212 1.985,1213 0.192,1214 0.209,1215 0.282,1216 0.176,1217 0.133,1218 4.427,1219 0.179,1220 4.802,1221 0.189,1222 6.475,1223 0.437,1224 4.04,1225 0.131,1226 3.055,1227 4.119,1228 4.337,1229 10.059,1230 3.012,1231 1.889,1232 1.875,1233 1.967,1234 1.988,1235 1.072,1236 1.979,1237 1.638,1238 1.63,1239 1.716,1240 1.76,1241 0.834,1242 1.745,1243 1.364,1244 1.34,1245 1.489,1246 1.568,1247 0.562,1248 1.532,1249 1.235,1250 1.221,1251 1.29,1252 1.495,1253 0.198,1254 1.468,1255 1.046,1256 1.071,1257 1.141,1258 1.235,1259 0.162,1260 1.205,1261 0.883,1262 0.84,1263 1.041,1264 1.146,1265 0.132,1266 1.131,1267 0.625,1268 0.602,1269 0.786,1270 0.919,1272 0.888,1273 0.294,1274 0.271,1275 0.552,1276 0.679,1278 0.644,1279 3.85,1281 5.187,1282 3.045,1283 6.688,1284 5.352,1285 8.266,1286 7.368,1287 9.887,1291 12.94,1294 9.687,1296 2.134,1298 0.781,1305 21.558,1306 55.578,1307 109.762,1308 127.272,1309 138.881,1310 140.881,1311 140.881,1312 47.394,1313 6.721,1314 83.3,1315 111.54,1316 16,1317 12.239,1318 3.907,1319 3.248,1320 32.318,1321 71,1322 61,1323 0.233,1324 134.572,1325 241.5,1326 320.116,1327 6662,1328 3.4,1329 14.983,1330 0.713,1331 0.535,1332 14.466,1333 11.239,1334 10.025,1335 0.436,1336 0.29,1337 5.822,1338 9.065,1339 5.685,1340 4.658,1341 10.039,1342 6.68,1343 9.548,1344 0.289,1345 0.158,1346 9.643,1347 5.23,1348 7.605,1349 0.181,1350 0.085,1351 8.006,1352 3.578,1353 6.535,1354 0.119,1355 0.045,1356 6.959,1357 2.501,1358 4.456,1359 0.076,1360 0.023,1361 4.866,1362 1.38,1363 0.364,1364 68.055,1365 0.258,1366 20.847,1367 0.641,1368 112,1369 482.661,1370 155.914,1371 450.871,1372 589.88,1373 416,1374 131,1375 401.905,1376 166.585,1377 410.744,1378 602.7,1379 386,1380 6.027}
{0 CHEMBL379218,1 1.447,2 11.889,3 3.212,4 10.318,5 107.094,6 7.316,7 0.733,8 3.988,9 4.113,10 3.548,11 3.566,12 5.096,13 3.538,14 4.486,15 4.649,16 3.875,17 3.946,18 5.513,19 3.897,20 4.722,21 4.921,22 3.882,23 4.052,24 5.728,25 3.964,26 4.797,27 5.045,28 3.741,29 3.999,30 5.685,31 3.879,32 4.677,33 4.916,34 3.705,35 3.912,36 5.619,37 3.805,38 4.661,39 4.897,40 3.667,41 3.85,42 5.636,43 3.748,44 4.59,45 4.847,46 3.557,47 3.746,48 5.517,49 3.64,50 4.42,51 4.66,52 3.467,53 3.656,54 5.379,55 3.548,56 0.07,57 0.719,58 10.103,59 4.355,60 11.923,61 5.765,62 0.115,63 1.123,64 17.865,65 7.253,66 18.259,67 9.74,68 0.292,69 1.358,70 24.012,71 9.183,72 34.729,73 12.615,74 0.244,75 1.398,76 27.58,77 10.137,78 34.748,79 14.244,80 0.171,81 1.263,82 23.926,83 8.953,84 31.875,85 12.626,86 0.236,87 1.23,88 23.868,89 8.561,90 36.542,91 11.871,92 0.274,93 1.148,94 22.792,95 7.822,96 32.595,97 11.064,98 0.24,99 0.97,100 18.622,101 6.861,102 27.527,103 9.772,104 5,105 41,106 0.242,107 0.6,108 0.775,109 0.866,110 0.875,111 0.875,112 3.339,113 0.901,114 -3.58,115 -3.55,116 -3.39,119 44.9,120 1,121 1,125 1,127 1,142 9,143 4,144 1,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 13,175 4,180 3,183 16,185 1,186 1,187 7,189 1,190 1,192 3,195 12,197 1,199 5,204 4,207 5,209 2,212 7,217 4,220 3,222 3,224 6,226 1,227 1,229 3,232 3,234 2,236 1,237 3,240 1,242 1,245 4,247 1,249 1,250 3,253 1,255 2,258 7,260 2,263 2,268 2,271 9,273 2,275 1140,276 18.516,277 18.516,278 18.516,279 18.516,280 18.516,281 15.922,282 11.017,283 11.088,284 18.793,285 14.842,286 14.842,287 14.842,288 14.842,289 14.842,290 11.035,291 9.41,292 5.322,293 15.279,294 4.168,295 2.027,296 0.98,297 0.439,298 0.383,299 0.383,300 4.04,303 1,304 1,305 1,306 708,307 3.082,310 66.035,311 258.152,314 112.937,318 1.901,319 16.253,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 57,331 321,332 4.558,333 3.148,334 6.522,335 4.089,336 3.103,337 4.51,338 0.86,339 10.231,340 3.059,341 4.184,342 2.981,343 6.117,344 3.779,345 2.802,346 3.816,348 8.979,349 2.739,350 3.927,351 2.815,352 5.492,353 3.615,354 2.626,355 3.455,357 7.41,358 2.599,359 3.686,360 2.599,361 5.309,362 3.3,363 2.353,364 3.098,366 6.836,367 2.216,368 3.314,369 2.205,370 4.952,371 3.058,372 2.084,373 2.648,375 5.447,376 2.026,377 3.253,378 2.012,379 4.792,380 2.848,381 1.878,382 2.357,384 5.404,385 1.818,386 2.968,387 1.623,388 4.355,389 2.481,390 1.521,391 2.167,393 4.156,394 1.458,395 2.815,396 1.492,397 4.01,398 2.397,399 1.405,400 1.922,402 3.18,403 1.392,404 2.703,405 1.275,406 3.586,407 2.193,408 1.233,409 1.795,411 3.019,412 1.181,413 2.571,414 1.111,415 3.486,416 2.041,417 1.084,418 1.605,420 2.546,421 1.034,422 2.5,423 1,424 3.247,425 2,426 1,427 1.5,428 2.136,429 1,430 2.111,431 0.986,432 3.223,433 1.642,434 0.654,435 0.939,436 1.552,437 0.645,438 1.715,439 0.714,440 3.098,441 1.467,442 0.574,443 0.638,445 1.347,446 0.507,447 1.053,448 0.08,449 2.629,450 0.786,451 -0.187,452 -0.217,454 -0.455,455 -0.182,456 1.01,457 -0.208,458 2.514,459 0.631,460 -0.353,461 -0.461,463 -0.856,464 -0.345,465 12.933,466 0.479,467 0.571,468 0.021,469 37.25,470 1.38,471 20.5,472 0.759,473 16.75,474 0.62,475 19.934,476 0.738,477 27.867,478 0.569,479 25.777,480 0.955,481 7.475,482 0.277,483 5.712,484 0.212,485 0.07,487 0.309,493 0.899,494 1.021,495 0.817,496 0.944,497 1.072,498 0.88,499 1.154,500 1.117,501 0.91,502 1.003,503 0.977,504 0.945,505 1.128,506 1.059,507 1.091,508 1.082,509 1.077,510 1.087,511 1.183,512 1,513 1.022,514 1.002,515 1.011,516 1,517 1.022,518 1.081,519 0.974,520 1.064,521 1.01,522 1.021,523 1.371,524 1.093,525 1.056,526 1.072,527 1.268,528 1.044,529 1.275,530 0.887,531 0.986,532 0.898,533 1.104,534 0.909,535 0.839,536 0.978,537 0.937,538 0.981,539 0.847,540 0.974,541 5,542 0.129,543 2.667,544 1.417,545 1.142,546 0.663,547 0.415,548 0.333,549 0.152,550 0.143,551 10189,552 24084,553 2.142,554 44.9,556 12,558 2,559 3,560 3,561 2,564 1.696,565 2.051,566 3.544,567 0.872,568 1,569 1,573 70.906,574 1.447,575 3.587,576 4.634,577 5.176,578 5.232,579 5.232,580 2.967,581 4.459,582 4.728,583 3.729,584 1308.79,585 8.18,586 17472.8,588 1,590 1,591 275.121,592 1.218,593 4.706,594 0.167,595 0.007,596 0.065,597 0.036,598 0.035,599 0.021,600 0.014,601 0.012,602 0.006,603 0.007,604 0.369,605 0.33,606 1,607 0.454,608 136.221,609 0.02,610 0.112,611 0.046,612 0.055,613 -0.126,614 0.055,615 -0.092,616 -0.059,617 0.003,618 -0.006,619 -0.057,620 0.007,621 0.027,622 -0.044,623 -0.137,624 -0.1,625 -0.024,626 -0.131,627 -0.093,628 -0.055,629 -0.024,630 -0.018,631 -0.059,632 -0.014,633 -0.024,634 -0.116,635 0.008,636 -0.08,637 0.043,638 -0.038,639 -0.059,640 -0.128,641 -0.048,642 -0.104,643 -0.04,644 -0.082,645 -0.014,646 0.086,647 0.039,648 0.055,649 -0.017,650 0.053,651 0.203,652 -0.01,653 0.052,654 -0.001,655 0.156,656 0.007,657 1.402,658 2.392,659 0.778,660 26.617,661 0.994,662 1.121,663 2.351,664 5.529,665 0.68,666 3.434,667 3.738,668 3.989,669 4.234,670 4.431,671 4.431,672 4.575,673 4.691,674 4.7,675 4.754,676 7.121,677 0.644,678 358.48,679 3.434,680 4.963,681 5.802,682 6.666,683 7.52,684 8.388,685 9.25,686 10.121,687 10.987,688 11.861,689 8.2,690 1,697 1,699 2,703 2,704 11,705 2,706 1,709 5,711 22,729 1,731 49,733 22,734 2,735 30,737 52,738 22,739 18,740 4,741 8,746 4,747 5,752 1,758 2,761 18,762 4,778 1,781 22,782 4,783 3,784 5,790 4,794 0.75,795 1,803 1,805 1,811 1,812 3,815 1,833 1,840 3,844 1,848 27,849 1,854 2,856 1,858 1,870 2,875 1,877 13.167,878 8.9,879 5.917,880 2.817,881 4.037,882 1.536,883 1.013,884 5.079,885 11.562,886 3.738,887 4.36,888 4.967,889 5.569,890 6.099,891 6.345,892 6.814,893 7.251,894 7.491,895 7.833,896 0.875,897 39,898 9.933,900 4.168,901 7.574,902 19.228,904 15.774,905 2.074,906 56,909 1,910 223.651,911 141.607,912 83.009,914 11,917 141.607,918 234.651,919 83.009,920 8.825,921 40.024,922 85.286,923 56.991,924 65.275,925 2.757,926 200.109,928 223.651,929 224.616,930 11,933 200.109,934 34.542,937 85.751,938 105.416,939 33.449,941 223.651,942 94.009,943 141.607,946 223.651,947 29.401,948 112.206,949 16.663,950 77.346,951 223.651,952 94.009,953 141.607,955 0.577,956 0.331,957 0.178,958 0.096,959 20,960 8,961 0.115,962 6,963 1,964 1.095,965 4.061,966 224.352,967 0.095,968 21,969 124.382,974 17.564,975 7.808,976 4.12,977 2.076,978 77.346,979 21.95,980 8.598,981 3.015,984 5.077,986 49.56,987 459.267,988 41,999 48.687,1000 54.939,1001 0.258,1002 0.639,1003 0.825,1004 0.922,1005 0.932,1006 0.932,1007 4.945,1008 1.405,1009 5.765,1010 4.156,1011 4.419,1012 5.047,1013 0.908,1014 6.532,1015 4.366,1016 6.147,1017 1.233,1018 7.292,1019 3.18,1020 3.892,1021 4.745,1023 7.322,1024 3.829,1025 7.44,1026 1.084,1027 8.917,1028 3.019,1029 5.969,1030 7.273,1031 0.739,1032 10.409,1033 5.875,1034 8.772,1035 1,1036 10.601,1037 2.546,1038 6.275,1039 7.851,1041 12.058,1042 6.174,1043 10.136,1044 0.654,1045 12.324,1046 2.136,1047 7.793,1048 9.808,1049 0.593,1050 14.635,1051 7.669,1052 11.526,1053 0.574,1054 14.074,1055 1.552,1056 8.5,1057 10.831,1059 16.652,1060 8.369,1061 12.935,1062 -0.187,1063 15.846,1064 1.347,1065 9.777,1066 12.53,1067 0.469,1068 19.049,1069 9.628,1070 3.103,1071 -0.353,1072 17.633,1073 -0.455,1074 10.685,1075 13.787,1077 21.228,1078 10.527,1079 2.802,1080 10.231,1081 19.432,1082 -0.856,1083 11.857,1084 15.367,1085 0.366,1086 23.563,1087 11.684,1088 2.626,1089 8.979,1090 21.243,1091 4.51,1092 12.866,1093 16.744,1095 25.813,1096 12.682,1097 2.353,1098 7.41,1099 23.061,1100 3.816,1101 13.995,1102 18.273,1103 0.283,1104 28.128,1105 13.797,1106 2.084,1107 6.836,1108 24.887,1109 3.455,1110 15.054,1111 19.71,1113 30.411,1114 14.845,1115 1.878,1116 5.447,1117 26.718,1118 3.098,1119 16.168,1120 21.219,1121 0.217,1122 32.721,1123 15.946,1124 1.521,1125 5.404,1126 28.555,1127 2.648,1128 17.254,1129 22.687,1131 35.021,1132 17.019,1133 9503,1134 14739,1135 20.572,1136 33.33,1137 45.076,1138 44.903,1139 45.31,1140 44.601,1141 44.634,1142 60.899,1143 1.72,1144 124.484,1145 43.349,1146 5.452,1147 5.148,1148 6.324,1149 5.149,1150 5.103,1151 7.51,1152 1.72,1153 16.757,1154 5.059,1155 9.54,1156 1.503,1157 1.497,1158 1.51,1159 1.487,1160 1.488,1161 2.03,1162 0.057,1163 4.149,1164 1.445,1165 4.123,1166 4.16,1167 4.088,1168 4.034,1169 5.096,1170 4.042,1171 3.932,1172 3.967,1173 3.856,1174 3.866,1175 5.023,1176 3.858,1177 3.841,1178 3.877,1179 3.794,1180 3.716,1181 4.909,1182 3.731,1183 3.574,1184 3.639,1185 3.448,1186 3.407,1187 4.735,1188 3.407,1189 3.401,1190 3.464,1191 3.299,1192 3.254,1193 4.399,1194 3.255,1195 3.061,1196 3.131,1197 2.932,1198 2.901,1199 4.296,1200 2.902,1201 2.983,1202 3.062,1203 2.838,1204 2.802,1205 3.905,1206 2.798,1207 2.854,1208 2.939,1209 2.687,1210 2.735,1211 3.753,1212 2.715,1213 0.152,1214 0.105,1215 0.217,1216 0.136,1217 0.103,1218 4.558,1219 0.15,1220 3.148,1221 0.029,1222 6.522,1223 0.341,1224 4.089,1225 0.102,1226 3.103,1227 4.51,1228 0.86,1229 10.231,1230 3.059,1231 1.988,1232 1.969,1233 2.067,1234 2.062,1235 1.258,1236 2.063,1237 1.924,1238 1.894,1239 2.055,1240 2.013,1241 1.213,1242 2.03,1243 1.735,1244 1.707,1245 1.849,1246 1.87,1247 0.967,1248 1.866,1249 1.544,1250 1.484,1251 1.765,1252 1.772,1253 0.899,1254 1.761,1255 1.49,1256 1.415,1257 1.697,1258 1.736,1259 0.733,1260 1.733,1261 1.05,1262 1.006,1263 1.306,1264 1.289,1265 0.496,1266 1.293,1267 0.965,1268 0.894,1269 1.231,1270 1.222,1271 0.249,1272 1.243,1273 0.886,1274 0.821,1275 1.181,1276 1.134,1277 0.218,1278 1.143,1279 4.111,1281 5.416,1282 2.398,1283 6.911,1284 4.727,1285 8.488,1286 6.804,1287 10.11,1289 2.019,1293 6.214,1295 1.226,1297 5.892,1299 -0.069,1305 31.542,1306 70.906,1307 175.783,1308 227.082,1309 253.611,1310 256.366,1311 256.366,1312 36.184,1313 7.525,1314 76.82,1315 76.82,1316 23,1317 12.403,1318 4.524,1319 3.585,1320 40.45,1321 116,1322 112,1323 0.167,1324 194.128,1325 322.51,1326 465.432,1327 20952,1329 18.64,1330 0.69,1331 0.564,1332 18.64,1333 15.222,1334 13.187,1335 0.44,1336 0.3,1337 8.921,1338 12.815,1339 8.673,1340 7.231,1341 13.187,1342 9.013,1343 11.767,1344 0.287,1345 0.165,1346 11.767,1347 6.751,1348 9.831,1349 0.185,1350 0.087,1351 9.831,1352 4.596,1353 8.13,1354 0.12,1355 0.046,1356 8.13,1357 3.152,1358 6.568,1359 0.079,1360 0.025,1361 6.568,1362 2.103,1363 0.269,1364 81.725,1365 0.22,1366 26.422,1367 0.44,1368 142,1369 362.671,1370 151.399,1371 360.498,1372 504.89,1373 340,1374 165,1375 381.652,1376 175.176,1377 391.422,1378 565.42,1379 368,1380 5}
{0 CHEMBL384304,1 1.968,2 12.033,3 1.658,4 2.749,5 109.44,6 8.657,7 0.375,8 4.056,9 4.16,10 3.858,11 3.537,12 5.251,13 3.538,14 4.617,15 4.777,16 4.158,17 3.908,18 5.995,19 3.907,20 4.88,21 5.061,22 4.271,23 4.064,24 6.262,25 4.058,26 4.97,27 5.157,28 4.23,29 4.054,30 6.454,31 4.03,32 4.944,33 5.176,34 4.081,35 3.955,36 6.289,37 3.925,38 4.789,39 5.011,40 4.025,41 3.819,42 6.221,43 3.798,44 4.649,45 4.869,46 3.851,47 3.69,48 6.013,49 3.657,50 4.55,51 4.811,52 3.677,53 3.553,54 5.847,55 3.48,56 0.25,57 0.925,58 11.052,59 4.708,60 37.82,61 5.191,62 0.752,63 1.413,64 22.484,65 8.115,66 88.598,67 9.215,68 1.11,69 1.841,70 31.381,71 9.87,72 161.414,73 11.228,74 1.469,75 1.667,76 34.955,77 10.782,78 211.429,79 12.687,80 1.361,81 1.548,82 35.038,83 9.377,84 196.719,85 12.633,86 1.248,87 1.518,88 28.584,89 7.928,90 153.265,91 10.233,92 0.992,93 1.329,94 24.279,95 6.467,96 138.479,97 8.546,98 0.894,99 1.003,100 23.773,101 6.066,102 111.734,103 8.642,104 69,105 47,106 0.331,107 0.676,108 0.829,109 0.842,110 0.842,111 0.842,112 3.44,113 1.019,114 -3.31,115 -3.3,116 -3.16,119 35.3,121 2,124 2,125 2,127 1,142 2,143 2,144 3,145 1,147 1,150 1,157 1,163 1,164 1,165 1,172 1,174 4,175 8,177 1,178 3,180 3,183 3,185 1,187 1,195 1,198 3,199 12,201 2,202 3,203 1,204 2,206 1,207 1,209 1,212 1,220 1,223 4,224 2,226 1,227 4,229 4,232 2,234 3,237 2,242 1,247 1,249 4,250 3,252 1,253 2,255 1,258 2,268 1,275 1404,276 19.342,277 19.342,278 19.342,279 19.342,280 19.342,281 17.325,282 28.462,283 10.889,284 19.929,285 15.638,286 15.638,287 15.638,288 15.638,289 15.638,290 12.464,291 46.697,292 5.013,293 16.573,294 3.704,295 1.649,296 0.735,297 0.657,298 0.657,299 0.657,300 4.112,304 1,305 1,306 752,307 3.937,311 332.07,318 2.036,319 65.262,322 1,323 0.83,324 1,325 1,326 0.5,327 1,328 1,329 0.9,330 69.5,331 361,332 4.743,333 4.375,334 7.111,335 4.249,336 3.314,337 4.51,338 0.86,339 11.657,340 3.193,341 4.595,342 3.717,343 6.92,344 4.226,345 3.243,346 4.285,347 0.4,348 11.501,349 3.08,350 4.244,351 3.251,352 6.261,353 3.809,354 2.864,355 3.903,356 0.4,357 9.202,358 2.703,359 3.772,360 2.89,361 5.617,362 3.525,363 2.57,364 3.108,366 7.656,367 2.448,368 3.566,369 2.731,370 5.526,371 3.213,372 2.282,373 2.855,375 6.9,376 2.114,377 3.386,378 2.587,379 5.13,380 3.061,381 2.128,382 2.497,384 6.205,385 1.961,386 3.166,387 2.296,388 4.864,389 2.77,390 1.819,391 2.337,393 5.123,394 1.719,395 2.861,396 2.14,397 4.559,398 2.477,399 1.555,400 1.994,402 4.586,403 1.426,404 2.722,405 1.917,406 4.364,407 2.391,408 1.451,409 1.712,411 3.838,412 1.354,413 2.543,414 1.403,415 3.818,416 2.017,417 1.048,418 1.472,420 2.607,421 0.999,422 2,423 1.245,424 3.414,425 1.984,426 1,427 1,428 2.275,429 0.983,430 1.775,431 1.077,432 3.128,433 1.464,434 0.595,435 0.674,436 1.014,437 0.509,438 1.383,439 0.921,440 2.992,441 1.099,442 0.185,443 0.208,445 0.474,446 0.164,447 1.301,448 0.586,449 2.793,450 0.919,451 0.036,452 0.042,454 0.076,455 0.031,456 1,457 0.362,458 2.655,459 0.696,460 -0.24,461 -0.285,463 -0.539,464 -0.222,465 13.738,466 0.458,467 1.06,468 0.035,469 38,470 1.267,471 18,472 0.6,473 20,474 0.667,475 25.976,476 0.866,477 34.862,478 0.684,479 33.238,480 1.108,481 7.42,482 0.247,483 6.692,484 0.223,485 0.216,486 0.061,487 0.357,491 2,493 0.631,494 1.282,495 0.76,496 1.34,497 0.622,498 1.008,499 0.716,500 0.968,501 0.896,502 1.037,503 0.555,504 0.879,505 1.008,506 1.075,507 1.059,508 1.089,509 0.895,510 0.971,511 0.913,512 0.983,513 1.071,514 1.095,515 0.971,516 1.102,517 0.9,518 0.937,519 0.812,520 0.832,521 0.928,522 0.901,523 0.92,524 0.954,525 0.894,526 0.826,527 0.947,528 0.957,529 1.1,530 1.152,531 1.008,532 1.011,533 1.059,534 1.137,535 0.675,536 0.664,537 0.823,538 0.699,539 0.714,540 0.877,541 8,542 0.198,543 4.444,544 2.938,545 2.2,546 1.347,547 0.709,548 0.602,549 0.32,550 0.276,551 11502,552 44179,553 1.948,554 41.2,556 13,558 1,559 3,562 4,564 1.725,565 1.756,566 3.497,567 1.032,569 1,573 100.387,574 1.968,575 4.023,576 4.937,577 5.015,578 5.015,579 5.015,580 2.944,581 4.282,582 4.877,583 3.762,584 1636.3,585 8.489,586 23148.3,588 1,590 1,591 289.294,592 1.731,593 4.788,594 0.25,595 0.008,596 0.095,597 0.058,598 0.047,599 0.033,600 0.019,601 0.02,602 0.013,603 0.011,604 0.553,605 0.33,606 0.88,607 0.933,608 155.478,609 -0.03,610 -0.177,611 0.16,612 -0.107,613 -0.087,614 0.008,615 0.053,616 0.009,617 0.035,618 0.028,619 0.125,620 0.1,621 -0.111,622 -0.065,623 -0.093,624 -0.057,625 -0.001,626 -0.001,627 0.05,628 -0.055,629 -0.129,630 -0.126,631 0.029,632 -0.141,633 -0.02,634 -0.113,635 0.062,636 0.018,637 -0.027,638 0.077,639 0.067,640 0.07,641 -0.015,642 0.025,643 -0.012,644 -0.027,645 -0.118,646 -0.055,647 -0.13,648 -0.13,649 -0.119,650 -0.199,651 0.093,652 0.144,653 0.096,654 0.127,655 0.022,656 0.084,657 4.15,658 6.204,659 0.6,660 31.387,661 1.037,662 1.15,663 2.083,664 4.337,665 0.651,666 3.497,667 3.871,668 4.111,669 4.317,670 4.511,671 4.564,672 4.575,673 4.644,674 4.718,675 4.796,676 7.355,677 0.64,678 441.51,679 3.497,680 5.069,681 5.922,682 6.817,683 7.686,684 8.581,685 9.455,686 10.349,687 11.226,688 12.121,689 9.8,692 1,693 1,694 1,699 2,704 3,705 2,709 7,711 12,716 1,722 1,724 1,729 1,730 2,731 51,733 15,734 1,735 32,737 53,738 18,739 10,740 4,741 2,742 1,746 3,747 3,755 3,758 3,761 11,762 7,766 3,769 1,771 3,775 1,778 1,779 2,781 21,782 11,783 3,784 12,785 1,790 5,794 1,795 4,806 1,812 3,840 3,842 1,844 2,846 2,848 30,849 1,852 1,854 4,855 1,856 1,858 1,859 1,869 2,870 7.8,873 3,875 1,877 17.083,878 9.636,879 6.5,880 2.792,881 2.409,882 1.325,883 0.964,884 6.558,885 9.829,886 3.738,887 4.369,888 4.828,889 5.317,890 5.786,891 5.979,892 6.19,893 6.475,894 6.767,895 7.01,896 0.875,897 51,898 11.441,900 5.311,901 8.386,902 20.279,904 16.719,905 2.886,906 86.583,910 211.88,911 100.378,912 85.998,914 80.458,915 29.92,916 5.807,917 94.571,918 292.338,919 115.918,920 18.073,921 9.28,922 57.657,923 137.944,924 51.422,925 34.147,926 200.109,928 211.88,929 180.568,930 110.378,931 5.807,933 194.716,934 127.542,937 21.746,938 107.241,939 57.389,941 241.8,942 166.455,943 100.378,945 5.807,946 211.88,947 48.498,948 47.592,949 18.011,950 176.846,951 211.88,952 196.376,953 100.378,955 0.6,956 0.353,957 0.176,958 0.092,959 22,960 12,961 0.113,962 6,964 1,965 3.95,966 262.295,968 18,969 141.207,973 1,974 22.35,975 8.803,976 4.885,978 196.376,979 3.122,980 8.079,984 -3.545,986 50.908,987 508.634,988 41,991 -3.234,993 35.878,997 -0.908,999 52.872,1000 58.665,1001 0.347,1002 0.709,1003 0.87,1004 0.884,1005 0.884,1006 0.884,1007 5.017,1008 1.555,1009 5.974,1010 5.123,1011 4.554,1012 5.056,1013 1.138,1014 6.849,1015 4.445,1016 6.272,1017 1.451,1018 7.593,1019 4.586,1020 4.443,1021 5.255,1023 8.048,1024 4.27,1025 7.638,1026 1.048,1027 9.32,1028 3.838,1029 6.267,1030 7.361,1031 0.787,1032 11.074,1033 6.069,1034 9.04,1035 1,1036 11.108,1037 2.607,1038 6.909,1039 8.315,1041 13.036,1042 6.65,1043 10.475,1044 0.595,1045 12.935,1046 2.275,1047 8.296,1048 10.011,1049 0.602,1050 15.667,1051 8.011,1052 11.932,1053 0.185,1054 14.788,1055 1.014,1056 9.247,1057 11.263,1059 17.92,1060 8.91,1061 13.406,1062 0.036,1063 16.661,1064 0.474,1065 10.489,1066 12.824,1067 0.471,1068 20.427,1069 10.119,1070 3.314,1071 -0.24,1072 18.549,1073 0.076,1074 11.57,1075 14.2,1077 22.795,1078 11.154,1079 3.243,1080 11.657,1081 20.449,1082 -0.539,1083 12.763,1084 15.712,1085 0.367,1086 25.261,1087 12.311,1088 2.864,1089 11.501,1090 22.358,1091 4.51,1092 13.9,1093 17.143,1095 27.675,1096 13.404,1097 2.57,1098 9.202,1099 24.274,1100 4.285,1101 15.08,1102 18.636,1103 0.283,1104 30.127,1105 14.546,1106 2.282,1107 7.656,1108 26.196,1109 3.903,1110 16.24,1111 20.094,1113 32.561,1114 15.665,1115 2.128,1116 6.9,1117 28.123,1118 3.108,1119 17.419,1120 21.58,1121 0.217,1122 35.01,1123 16.804,1124 1.819,1125 6.205,1126 30.054,1127 2.855,1128 18.591,1129 23.052,1131 37.452,1132 17.936,1133 11404,1134 22526,1135 19.997,1136 33.222,1137 48.236,1138 51.698,1139 51.032,1140 48.197,1141 48.177,1142 61.194,1143 3.32,1144 146.229,1145 45.367,1146 5.743,1147 6.375,1148 6.654,1149 5.318,1150 5.314,1151 7.51,1152 1.72,1153 19.141,1154 5.193,1155 20.517,1156 1.507,1157 1.616,1158 1.595,1159 1.506,1160 1.506,1161 1.912,1162 0.104,1163 4.57,1164 1.418,1165 4.045,1166 4.06,1167 4.722,1168 3.973,1169 8.239,1170 3.916,1171 3.977,1172 3.98,1173 3.982,1174 3.883,1175 8.161,1176 3.844,1177 3.821,1178 3.856,1179 3.801,1180 3.667,1181 7.716,1182 3.68,1183 3.658,1184 3.68,1185 3.605,1186 3.544,1187 7.427,1188 3.507,1189 3.265,1190 3.323,1191 3.187,1192 3.006,1193 6.999,1194 3.04,1195 3.214,1196 3.257,1197 3.118,1198 2.958,1199 5.181,1200 2.98,1201 3.111,1202 3.206,1203 2.899,1204 2.941,1205 4.761,1206 2.91,1207 3.026,1208 3.126,1209 2.866,1210 2.753,1211 4.721,1212 2.768,1213 0.148,1214 0.137,1215 0.222,1216 0.133,1217 0.104,1218 4.743,1219 0.141,1220 4.375,1221 0.027,1222 7.111,1223 0.364,1224 4.249,1225 0.1,1226 3.314,1227 4.51,1228 0.86,1229 11.657,1230 3.193,1231 1.916,1232 1.901,1233 2.027,1234 2.073,1235 1.414,1236 2.087,1237 1.878,1238 1.863,1239 1.954,1240 2.019,1241 1.07,1242 2.007,1243 1.721,1244 1.692,1245 1.782,1246 1.902,1247 0.964,1248 1.887,1249 1.575,1250 1.568,1251 1.598,1252 1.726,1253 0.825,1254 1.781,1255 1.19,1256 1.12,1257 1.563,1258 1.515,1259 0.786,1260 1.527,1261 1.153,1262 1.065,1263 1.513,1264 1.376,1265 0.569,1266 1.429,1267 1.108,1268 1.064,1269 1.324,1270 1.375,1271 0.53,1272 1.362,1273 0.94,1274 0.856,1275 1.188,1276 1.283,1277 0.166,1278 1.26,1279 4.174,1281 5.533,1283 7.084,1285 8.719,1287 10.395,1289 2.391,1291 27.806,1293 5.867,1295 1.813,1296 3.049,1297 4.952,1299 -0.079,1300 1.392,1305 32.661,1306 100.387,1307 205.181,1308 251.784,1309 255.784,1310 255.784,1311 255.784,1312 108.01,1313 7.419,1314 127.51,1315 135.89,1316 18,1317 12.65,1318 4,1319 3.322,1320 55.609,1321 135,1322 120,1323 0.206,1324 204.244,1325 363.41,1326 490.116,1327 16548,1328 3.9,1329 22.052,1330 0.735,1331 0.572,1332 20.561,1333 17.17,1334 14.112,1335 0.441,1336 0.34,1337 8.965,1338 12.484,1339 8.611,1340 7.094,1341 14.185,1342 10.872,1343 13.658,1344 0.291,1345 0.188,1346 14.002,1347 8.823,1348 10.931,1349 0.182,1350 0.102,1351 10.682,1352 6.126,1353 8.673,1354 0.117,1355 0.055,1356 8.531,1357 4.077,1358 6.563,1359 0.073,1360 0.031,1361 6.387,1362 2.767,1363 0.328,1364 100.154,1365 0.224,1366 28.5,1367 0.551,1368 158,1369 680.605,1370 217.65,1371 611.287,1372 791.61,1373 560,1374 186,1375 529.952,1376 252.213,1377 553.056,1378 803.79,1379 514,1380 5}
{0 CHEMBL386051,1 1.798,2 11.517,3 5.639,4 31.799,5 120.773,6 9.853,7 0.563,8 3.925,9 4.019,10 3.771,11 3.606,12 5.109,13 3.562,14 4.407,15 4.542,16 4.162,17 3.993,18 5.588,19 3.932,20 4.606,21 4.736,22 4.319,23 4.134,24 5.827,25 4.071,26 4.7,27 4.859,28 4.382,29 4.114,30 5.972,31 4.039,32 4.663,33 4.826,34 4.251,35 4.029,36 5.964,37 3.963,38 4.617,39 4.812,40 4.146,41 3.951,42 5.833,43 3.877,44 4.534,45 4.731,46 3.974,47 3.865,48 5.693,49 3.748,50 4.302,51 4.512,52 3.657,53 3.654,54 5.367,55 3.54,56 0.062,57 0.634,58 4.901,59 3.483,60 5.832,61 3.942,62 0.276,63 1.063,64 15.091,65 6.695,66 15.962,67 7.366,68 0.221,69 1.204,70 18.348,71 7.991,72 22.414,73 8.664,74 0.529,75 1.319,76 26.419,77 8.739,78 55.763,79 9.068,80 0.52,81 1.234,82 26.674,83 8.87,84 54.382,85 9.532,86 0.468,87 1.253,88 20.133,89 7.782,90 48.556,91 8.535,92 0.517,93 1.032,94 30.247,95 8.419,96 52.307,97 9.549,98 0.234,99 0.934,100 15.167,101 6.238,102 23.228,103 7.134,104 27,105 46,106 0.306,107 0.663,108 0.793,109 0.86,110 0.867,111 0.867,112 3.408,113 1.001,114 -6.15,115 -6,116 -5.57,119 46.7,124 2,135 1,136 1,142 7,143 2,144 4,145 1,147 1,150 1,158 1,172 7,174 3,175 5,178 2,180 2,183 14,187 6,192 1,195 10,198 2,199 7,202 1,204 3,207 9,212 12,217 1,220 5,223 1,224 8,227 1,229 1,232 3,237 9,242 1,245 3,250 6,258 5,263 1,268 4,271 5,275 1246,276 19.524,277 19.524,278 19.524,279 19.524,280 19.524,281 17.033,282 23.154,283 11.236,284 20.289,285 15.691,286 15.691,287 15.691,288 15.691,289 15.691,290 11.815,291 34.898,292 5.237,293 16.867,294 3.694,295 1.593,296 0.826,297 0.434,298 0.389,299 0.389,300 4.103,301 2,305 1,306 722,307 2.739,311 329.857,315 122.501,318 2.017,319 28.142,322 0.75,323 0.83,324 1,325 0.4,327 1,328 1,329 0.71,330 61.667,331 334,332 4.617,333 4.328,334 6.941,335 4.258,336 3.291,337 4.242,338 2.95,339 11.619,340 3.179,341 4.313,342 3.774,343 6.527,344 3.892,345 2.96,346 3.954,347 1.2,348 10.134,349 2.743,350 4.085,351 3.302,352 5.799,353 3.67,354 2.723,355 3.675,356 0.4,357 8.007,358 2.573,359 3.83,360 2.961,361 5.644,362 3.395,363 2.452,364 3.239,365 0.293,366 7.49,367 2.3,368 3.507,369 2.726,370 5.26,371 3.132,372 2.187,373 2.79,375 6.636,376 2.041,377 3.335,378 2.623,379 5.209,380 2.937,381 1.988,382 2.508,384 6.011,385 1.865,386 3.232,387 2.463,388 4.841,389 2.779,390 1.879,391 2.481,393 5.36,394 1.701,395 3.221,396 2.171,397 4.805,398 2.707,399 1.851,400 2.468,402 5.104,403 1.441,404 2.811,405 2.065,406 4.159,407 2.327,408 1.336,409 1.93,411 3.353,412 1.317,413 2.676,414 1.677,415 3.729,416 2.193,417 1.212,418 1.756,420 2.636,421 1.184,422 2.523,423 1.295,424 3.498,425 1.94,426 1.006,427 1.454,428 2.513,429 0.924,430 1.871,431 1.271,432 3.206,433 1.375,434 0.432,435 0.504,436 0.889,437 0.358,438 1.584,439 1.028,440 3.067,441 1.228,442 0.378,443 0.483,445 0.726,446 0.335,447 1.498,448 0.622,449 2.834,450 1.179,451 0.267,452 0.315,454 0.611,455 0.232,456 1.219,457 0.484,458 2.673,459 0.785,460 -0.114,461 -0.145,463 -0.309,464 -0.091,465 14.695,466 0.507,467 0.784,468 0.027,469 41.5,470 1.431,471 22.5,472 0.776,473 19,474 0.655,475 23.796,476 0.821,477 29.105,478 0.647,479 30.981,480 1.068,481 7.908,482 0.273,483 6.066,484 0.209,485 0.188,487 0.367,493 0.672,494 1.185,495 0.554,496 0.775,497 0.588,498 0.759,499 0.627,500 0.845,501 0.771,502 0.835,503 0.563,504 0.74,505 1.049,506 1.286,507 0.929,508 1.026,509 0.93,510 0.963,511 1.303,512 1.02,513 0.912,514 0.872,515 1.473,516 0.933,517 1.013,518 1.226,519 1.027,520 1.151,521 1.016,522 1.07,523 1.178,524 1.023,525 0.734,526 0.735,527 1.191,528 0.849,529 1.149,530 0.929,531 1.288,532 1.066,533 1.056,534 1.081,535 0.857,536 1.031,537 0.736,538 0.938,539 0.769,540 1.023,541 6,542 0.161,543 3.333,544 2.688,545 2.244,546 1.222,547 0.829,548 0.382,549 0.361,550 0.192,551 10610,552 35161,553 2.07,554 35.6,556 14,558 1,559 1,564 1.719,565 1.912,566 3.449,567 -0.302,573 80.895,574 1.798,575 3.899,576 4.666,577 5.058,578 5.103,579 5.103,580 2.935,581 4.323,582 4.826,583 3.639,584 1477.32,585 8.404,586 19614.2,591 247.133,592 1.487,593 4.777,594 0.188,595 0.009,596 0.072,597 0.053,598 0.048,599 0.028,600 0.021,601 0.012,602 0.014,603 0.009,604 0.454,605 0.17,606 0.88,607 0.772,608 146.72,609 -0.055,610 -0.137,611 0.018,612 0.004,613 -0.088,614 0.01,615 0.142,616 0.242,617 -0.004,618 0.08,619 0.068,620 0.113,621 -0.122,622 -0.271,623 -0.081,624 -0.148,625 -0.034,626 -0.105,627 -0.065,628 0.005,629 0.016,630 0.016,631 -0.101,632 -0.048,633 0.129,634 -0.225,635 -0.073,636 -0.247,637 0.168,638 -0.154,639 -0.067,640 0.032,641 0.069,642 0.134,643 -0.024,644 0.073,645 -0.026,646 0.026,647 -0.147,648 -0.104,649 -0.058,650 -0.072,651 -0.097,652 0.009,653 -0.001,654 -0.004,655 -0.055,656 -0.04,657 1.901,658 6.003,659 0.759,660 29.757,661 1.014,662 1.109,663 4.922,664 24.223,665 0.759,666 3.497,667 3.85,668 4.159,669 4.443,670 4.7,671 4.779,672 4.913,673 5.081,674 5.215,675 5.263,676 6.704,677 0.718,678 443.38,679 3.497,680 5.056,681 5.927,682 6.823,683 7.71,684 8.612,685 9.506,686 10.412,687 11.31,688 12.218,689 8.9,696 1,697 1,699 2,704 8,705 2,709 8,711 18,724 1,730 2,731 45,733 20,734 2,735 32,737 48,738 21,739 16,740 5,741 7,742 3,746 4,747 5,748 2,761 19,762 2,766 2,771 1,773 1,775 2,781 16,782 5,783 1,784 8,785 3,790 4,794 0.75,795 1,806 1,812 4,816 1,827 1,831 1,832 1,840 3,841 1,842 1,844 2,845 2,848 29,855 1,857 1,859 1,869 2,870 2.2,873 1,877 15.167,878 8.969,879 6.361,880 2.47,881 3.639,882 1.464,883 1.011,884 5.724,885 11.479,886 3.784,887 4.413,888 5.019,889 5.598,890 6.156,891 6.41,892 6.799,893 7.269,894 7.684,895 8.015,896 0.875,897 51,898 10.684,900 4.586,901 7.784,902 20.121,904 16.406,905 2.284,906 66.222,910 176.567,911 162.461,912 54.706,913 78.297,914 25.145,916 32.22,917 130.241,918 280.009,919 54.706,920 15.587,921 3.124,922 75.81,923 75.192,924 47.924,925 4.227,926 197.015,927 78.297,928 176.567,929 184.947,930 25.145,931 110.517,933 176.567,934 25.145,937 32.082,938 109.818,939 121.345,940 32.22,941 176.567,942 79.851,943 240.758,946 176.567,947 62.017,948 103.568,949 18.011,950 137.013,951 176.567,952 79.851,953 240.758,955 0.588,956 0.359,957 0.195,958 0.107,959 23,960 11,961 0.083,962 4,963 1,964 1.091,965 3.948,966 263.768,967 0.091,968 22,969 134.881,970 1,974 20.081,975 8.267,976 3.951,978 79.851,979 14.78,980 8.932,984 4.986,986 18.011,987 497.176,988 43,993 13.003,995 1.725,997 0.175,999 45.644,1000 49.917,1001 0.327,1002 0.71,1003 0.85,1004 0.921,1005 0.929,1006 0.929,1007 5.034,1008 1.851,1009 5.932,1010 5.36,1011 4.533,1012 5.1,1013 3.073,1014 6.783,1015 4.401,1016 6.263,1017 1.336,1018 7.52,1019 5.104,1020 4.205,1021 4.934,1022 0.325,1023 7.756,1024 3.979,1025 7.586,1026 1.212,1027 9.207,1028 3.353,1029 6.168,1030 7.308,1031 5.05,1032 10.892,1033 5.941,1034 8.943,1035 1.006,1036 10.952,1037 2.636,1038 6.635,1039 7.913,1040 0.653,1041 12.685,1042 6.329,1043 10.329,1044 0.432,1045 12.734,1046 2.513,1047 8.09,1048 9.779,1049 7.188,1050 15.363,1051 7.78,1052 11.737,1053 0.378,1054 14.542,1055 0.889,1056 8.927,1057 10.761,1058 1.001,1059 17.514,1060 8.555,1061 13.162,1062 0.267,1063 16.371,1064 0.726,1065 10.19,1066 12.401,1067 9.348,1068 20.034,1069 9.803,1070 3.291,1071 -0.114,1072 18.216,1073 0.611,1074 11.202,1075 13.583,1076 1.37,1077 22.344,1078 10.767,1079 2.96,1080 11.619,1081 20.074,1082 -0.309,1083 12.394,1084 15.113,1085 11.511,1086 24.808,1087 11.937,1088 2.723,1089 10.134,1090 21.944,1091 4.242,1092 13.489,1093 16.404,1094 1.754,1095 27.188,1096 12.992,1097 2.452,1098 8.007,1099 23.822,1100 3.954,1101 14.658,1102 17.878,1103 13.675,1104 29.633,1105 14.135,1106 2.187,1107 7.49,1108 25.708,1109 3.675,1110 15.791,1111 19.228,1112 2.143,1113 32.045,1114 15.234,1115 1.988,1116 6.636,1117 27.6,1118 3.239,1119 16.956,1120 20.676,1121 15.838,1122 34.485,1123 16.372,1124 1.879,1125 6.011,1126 29.498,1127 2.79,1128 18.11,1129 22.059,1130 2.535,1131 36.913,1132 17.494,1133 10153,1134 18655,1135 21.096,1136 34.171,1137 48.581,1138 53.001,1139 50.616,1140 48.211,1141 47.929,1142 63.599,1143 9.686,1144 142.178,1145 44.386,1146 5.512,1147 6.328,1148 6.533,1149 5.334,1150 5.291,1151 7.242,1152 5.9,1153 19.318,1154 5.179,1155 15.487,1156 1.518,1157 1.656,1158 1.582,1159 1.507,1160 1.498,1161 1.987,1162 0.303,1163 4.443,1164 1.387,1165 4.041,1166 4.07,1167 4.135,1168 3.963,1169 7.428,1170 3.964,1171 3.902,1172 3.926,1173 4.008,1174 3.863,1175 5.042,1176 3.841,1177 3.813,1178 3.842,1179 3.883,1180 3.718,1181 4.973,1182 3.725,1183 3.457,1184 3.509,1185 3.582,1186 3.269,1187 4.712,1188 3.287,1189 3.221,1190 3.295,1191 3.523,1192 3.176,1193 4.632,1194 3.069,1195 3.195,1196 3.268,1197 3.378,1198 3.008,1199 4.222,1200 3.007,1201 2.999,1202 3.062,1203 3.074,1204 2.849,1205 4.115,1206 2.841,1207 2.901,1208 2.918,1209 3.038,1210 2.839,1211 4.045,1212 2.815,1213 0.144,1214 0.135,1215 0.217,1216 0.133,1217 0.103,1218 4.617,1219 0.133,1220 4.328,1221 0.092,1222 6.941,1223 0.363,1224 4.258,1225 0.099,1226 3.291,1227 4.242,1228 2.95,1229 11.619,1230 3.179,1231 1.967,1232 1.95,1233 2.012,1234 2.082,1235 1.162,1236 2.063,1237 1.888,1238 1.865,1239 1.968,1240 1.963,1241 1.091,1242 1.977,1243 1.773,1244 1.743,1245 1.85,1246 1.878,1247 0.943,1248 1.885,1249 1.361,1250 1.314,1251 1.581,1252 1.608,1253 0.654,1254 1.595,1255 1.226,1256 1.165,1257 1.52,1258 1.42,1259 0.626,1260 1.493,1261 1.196,1262 1.113,1263 1.407,1264 1.393,1265 0.437,1266 1.422,1267 0.964,1268 0.906,1269 1.175,1270 1.177,1271 0.241,1272 1.178,1273 0.849,1274 0.827,1275 1.05,1276 0.967,1277 0.159,1278 1.007,1279 4.174,1281 5.517,1283 7.069,1285 8.718,1287 10.418,1289 3.689,1290 12.608,1296 3.189,1298 1.654,1300 1.482,1305 32.33,1306 80.895,1307 175.443,1308 209.972,1309 227.624,1310 229.624,1311 229.624,1312 50.48,1313 7.84,1314 59.81,1315 85.11,1316 24,1317 12.736,1318 4.392,1319 3.585,1320 44.793,1321 118,1322 124,1323 0.191,1324 209.405,1325 362.4,1326 502.708,1327 27269,1328 4.4,1329 20.543,1330 0.708,1331 0.619,1332 21.897,1333 17.939,1334 13.974,1335 0.437,1336 0.334,1337 8.775,1338 12.522,1339 8.311,1340 6.9,1341 15.109,1342 10.68,1343 12.726,1344 0.277,1345 0.175,1346 13.961,1347 8.042,1348 11.175,1349 0.177,1350 0.093,1351 12.322,1352 5.862,1353 9.372,1354 0.112,1355 0.049,1356 10.575,1357 4.132,1358 7.674,1359 0.07,1360 0.024,1361 8.449,1362 2.63,1363 0.299,1364 98.239,1365 0.218,1366 27.412,1367 0.528,1368 156,1369 468.271,1370 216.66,1371 541.191,1372 723.27,1373 504,1374 187,1375 477.78,1376 235.267,1377 519.435,1378 763.4,1379 486,1380 5}
{0 CHEMBL388480,1 1.584,2 7.96,3 2.901,4 8.416,5 91.428,6 8.107,7 0.724,8 3.867,9 3.966,10 3.531,11 3.419,12 4.969,13 3.431,14 4.408,15 4.555,16 3.902,17 3.802,18 5.492,19 3.805,20 4.599,21 4.79,22 3.95,23 3.887,24 5.635,25 3.863,26 4.552,27 4.756,28 3.874,29 3.83,30 5.564,31 3.806,32 4.509,33 4.692,34 3.884,35 3.828,36 5.551,37 3.815,38 4.522,39 4.674,40 3.895,41 3.9,42 5.567,43 3.873,44 4.577,45 4.753,46 3.769,47 3.914,48 5.581,49 3.843,50 4.61,51 4.841,52 3.461,53 3.814,54 5.51,55 3.667,56 0.034,57 0.624,58 7.054,59 3.507,60 4.708,61 4.124,62 0.291,63 1.041,64 14.719,65 5.758,66 18.693,67 6.771,68 0.437,69 1.221,70 19.988,71 7.16,72 26.983,73 9.283,74 0.297,75 1.201,76 19.039,77 6.666,78 25.011,79 8.624,80 0.376,81 1.135,82 17.959,83 6.346,84 26.559,85 7.794,86 0.345,87 1.153,88 16.471,89 6.43,90 20.528,91 7.606,92 0.282,93 1.19,94 17.911,95 7.306,96 23.156,97 9.028,98 0.273,99 1.137,100 21.447,101 8.802,102 30.599,103 11.8,105 41,106 0.273,107 0.603,108 0.729,109 0.795,110 0.807,111 0.807,112 3.269,113 0.862,114 -4.11,115 -4.05,116 -3.83,119 46.3,125 4,142 7,143 2,145 1,146 1,147 1,149 1,152 1,161 1,172 8,174 3,175 6,183 7,186 4,187 7,195 3,198 2,199 9,207 1,211 3,212 7,220 3,223 1,224 7,232 5,236 1,237 7,245 5,249 1,250 6,258 3,263 4,271 1,275 805,276 17.706,277 17.706,278 17.706,279 17.706,280 17.706,281 15.388,282 10.455,283 10.665,284 18.135,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 10.884,291 14.862,292 5.132,293 15.091,294 3.773,295 1.864,296 1.132,297 0.75,298 0.683,299 0.683,300 3.99,303 1,304 1,305 1,306 452,307 2,310 34.898,311 214.421,314 140.192,318 1.011,319 19.331,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 199,332 4.778,333 3.38,334 6.937,335 4.289,336 3.318,337 4.866,338 0.86,339 11.761,340 3.224,341 4.216,342 2.973,343 6.305,344 3.797,345 2.833,346 3.878,347 0.8,348 9.513,349 2.738,350 4.001,351 2.782,352 6.099,353 3.664,354 2.712,355 3.534,357 8.895,358 2.573,359 3.516,360 2.37,361 5.452,362 3.111,363 2.162,364 2.898,366 6.683,367 2.045,368 3.279,369 2.07,370 4.943,371 2.806,372 1.846,373 2.634,375 5.408,376 1.776,377 3.17,378 1.803,379 4.507,380 2.722,381 1.768,382 2.375,384 4.561,385 1.681,386 2.917,387 1.713,388 4.201,389 2.48,390 1.525,391 2.07,393 3.663,394 1.453,395 2.66,396 1.42,397 3.621,398 2.247,399 1.312,400 1.723,402 2.915,403 1.216,404 2.62,405 1.256,406 3.583,407 2.111,408 1.141,409 1.669,411 2.722,412 1.103,413 2.5,414 1.148,415 3.51,416 2,417 1,418 1.5,420 2.566,421 1,422 2.28,423 1.088,424 3.247,425 1.952,426 1,427 1.243,428 2.136,429 0.946,430 2,431 1,432 3.247,433 1.91,434 1,435 1,436 2.136,437 0.905,438 1.891,439 0.507,440 3.234,441 1.417,442 0.462,443 0.652,445 1.228,446 0.44,447 1.055,448 -0.262,449 2.73,450 0.594,451 -0.349,452 -0.458,454 -0.935,455 -0.327,456 0.857,457 -0.36,458 2.587,459 0.405,460 -0.549,461 -0.697,463 -1.369,464 -0.523,465 11.767,466 0.471,467 0.445,468 0.018,469 36.25,470 1.45,471 18.5,472 0.74,473 17.75,474 0.71,475 17.245,476 0.69,477 25.433,478 0.62,479 24.745,480 0.99,481 7.188,482 0.288,483 5.211,484 0.208,487 0.331,493 0.862,494 1.366,495 0.666,496 1.096,497 0.78,498 0.892,499 1.222,500 1.03,501 0.889,502 0.9,503 1.037,504 0.849,505 0.942,506 1.078,507 0.849,508 0.885,509 0.834,510 0.859,511 1.036,512 1.06,513 0.895,514 0.901,515 1.08,516 0.864,517 1.239,518 0.896,519 0.926,520 0.776,521 1.204,522 0.787,523 1.211,524 1.113,525 1.139,526 1.035,527 1.146,528 1.057,529 1.044,530 1.063,531 1.29,532 1.218,533 1.146,534 1.273,535 0.713,536 1.037,537 1.218,538 1.309,539 0.909,540 1.351,541 3,543 2.444,544 1.514,545 1.004,546 1.146,547 0.533,548 0.116,549 0.098,550 0.052,551 6929,552 17559,553 2.277,554 39,556 15,558 1,564 1.69,565 2.239,566 3,567 -0.751,568 1,569 1,571 1,573 64.949,574 1.584,575 3.494,576 4.226,577 4.607,578 4.675,579 4.675,580 2.263,581 4.244,582 4.615,583 3.125,584 937.507,585 8.033,586 10965.7,587 1,588 1,590 1,591 219.66,592 0.904,593 4.616,594 0.103,596 0.06,597 0.036,598 0.026,599 0.029,600 0.013,601 0.003,602 0.004,603 0.005,604 0.28,605 0.5,606 0.88,608 116.819,609 -0.031,610 -0.287,611 0.088,612 -0.139,613 -0.011,614 -0.03,615 -0.053,616 0.041,617 -0.007,618 0.029,619 -0.036,620 0.016,621 0.133,622 -0.055,623 0.112,624 0.059,625 0.174,626 0.071,627 -0.066,628 -0.006,629 0.063,630 0.026,631 -0.032,632 0.062,633 -0.089,634 0.159,635 0.02,636 0.152,637 -0.087,638 0.113,639 -0.129,640 -0.05,641 -0.266,642 -0.103,643 -0.174,644 -0.182,645 -0.153,646 -0.04,647 -0.401,648 -0.26,649 -0.238,650 -0.346,651 0.019,652 -0.145,653 -0.228,654 -0.281,655 -0.055,656 -0.296,657 1.077,658 2.509,659 1,660 18.928,661 1.009,662 1.12,663 2.876,664 8.272,665 0.695,666 3.401,667 3.738,668 4.094,669 4.443,670 4.762,671 4.92,672 5.182,673 5.38,674 5.464,675 5.545,676 5.093,677 0.675,678 332.39,679 3.401,680 4.949,681 5.832,682 6.732,683 7.639,684 8.553,685 9.471,686 10.393,687 11.317,688 12.244,689 9.8,695 1,699 3,703 4,704 8,705 3,707 1,709 3,711 21,726 1,731 41,733 21,734 1,735 29,737 45,738 19,739 15,740 1,741 5,746 5,747 8,761 15,762 4,777 1,778 1,780 1,781 16,782 6,784 6,790 4,794 0.6,795 2,805 1,806 1,811 1,812 4,815 2,839 1,840 3,848 25,854 4,856 1,859 1,870 4.9,874 1,875 1,877 11.167,878 7.55,879 5.417,880 2.546,881 4.122,882 1.525,883 1.057,884 3.529,885 11.97,886 3.701,887 4.366,888 5.083,889 5.802,890 6.475,891 6.961,892 7.559,893 8.105,894 8.475,895 8.893,896 0.667,897 42,898 9.225,900 4.01,901 7.567,902 17.853,904 15.024,905 2.067,906 51.667,909 1,910 188.338,911 110.579,912 53.481,914 20.507,917 110.579,918 208.845,919 53.481,921 13.396,922 66.334,923 77.535,924 31.91,925 7.164,926 176.567,928 188.338,929 164.06,930 20.507,933 190.666,934 9.507,935 11,937 28.995,938 82.381,939 50.357,941 188.338,942 73.988,943 110.579,946 188.338,947 35.198,948 78.505,950 70.864,951 188.338,952 73.988,953 110.579,955 0.575,956 0.346,957 0.204,958 0.12,959 23,960 8,961 0.044,962 2,963 2,964 1.16,965 3.728,966 230.173,967 0.16,968 25,969 108.096,974 14.673,975 6.012,976 2.518,977 2.992,978 73.988,979 15.621,980 13.944,982 6.009,984 2.489,987 372.905,988 39.5,999 41.363,1000 45.903,1001 0.296,1002 0.652,1003 0.789,1004 0.86,1005 0.873,1006 0.873,1007 4.929,1008 1.312,1009 5.802,1010 3.663,1011 4.419,1012 5.053,1013 1.235,1014 6.653,1015 4.334,1016 6.14,1017 1.141,1018 7.371,1019 2.915,1020 3.892,1021 4.856,1022 0.325,1023 7.609,1024 3.782,1025 7.457,1026 1,1027 9.048,1028 2.722,1029 6.028,1030 7.375,1031 0.938,1032 10.792,1033 5.872,1034 8.82,1035 1,1036 10.793,1037 2.566,1038 6.415,1039 8.124,1040 0.268,1041 12.636,1042 6.24,1043 10.224,1044 1,1045 12.582,1046 2.136,1047 7.965,1048 10.063,1049 0.732,1050 15.315,1051 7.749,1052 11.658,1053 0.462,1054 14.401,1055 2.136,1056 8.781,1057 11.261,1058 0.188,1059 17.51,1060 8.546,1061 13.116,1062 -0.349,1063 16.24,1064 1.228,1065 10.093,1066 12.968,1067 0.57,1068 20.027,1069 9.823,1070 3.318,1071 -0.549,1072 18.095,1073 -0.935,1074 11.109,1075 14.376,1076 0.125,1077 22.368,1078 10.817,1079 2.833,1080 11.761,1081 19.962,1082 -1.369,1083 12.329,1084 15.994,1085 0.438,1086 24.835,1087 12.006,1088 2.712,1089 9.513,1090 21.838,1091 4.866,1092 13.435,1093 17.497,1094 0.082,1095 27.238,1096 13.089,1097 2.162,1098 8.895,1099 23.721,1100 3.878,1101 14.625,1102 19.085,1103 0.334,1104 29.693,1105 14.25,1106 1.846,1107 6.683,1108 25.61,1109 3.534,1110 15.773,1111 20.63,1112 0.054,1113 32.125,1114 15.373,1115 1.768,1116 5.408,1117 27.504,1118 2.898,1119 16.955,1120 22.209,1121 0.252,1122 34.579,1123 16.528,1124 1.525,1125 4.561,1126 29.403,1127 2.634,1128 18.124,1129 23.773,1130 0.035,1131 37.026,1132 17.671,1133 6328,1134 10218,1135 20.572,1136 28.5,1137 44.244,1138 44.4,1139 44.251,1140 44.176,1141 44.157,1142 60.084,1143 3.32,1144 128.373,1145 42.199,1146 5.778,1147 5.38,1148 6.739,1149 5.392,1150 5.318,1151 7.866,1152 1.72,1153 19.309,1154 5.224,1156 1.526,1157 1.531,1158 1.526,1159 1.523,1160 1.523,1161 2.072,1162 0.114,1163 4.427,1164 1.455,1165 4.183,1166 4.2,1167 4.171,1168 4.047,1169 5.282,1170 4.074,1171 3.887,1172 3.917,1173 3.827,1174 3.823,1175 4.848,1176 3.82,1177 3.767,1178 3.822,1179 3.668,1180 3.568,1181 4.657,1182 3.585,1183 3.532,1184 3.58,1185 3.457,1186 3.369,1187 4.588,1188 3.384,1189 3.111,1190 3.206,1191 3.048,1192 2.945,1193 4.341,1194 2.961,1195 3.104,1196 3.13,1197 2.866,1198 2.941,1199 4.032,1200 2.91,1201 2.933,1202 2.991,1203 2.86,1204 2.735,1205 3.81,1206 2.737,1207 2.854,1208 2.925,1209 2.711,1210 2.714,1211 3.674,1212 2.715,1213 0.165,1214 0.117,1215 0.239,1216 0.148,1217 0.114,1218 4.778,1219 0.168,1220 3.38,1221 0.03,1222 6.937,1223 0.406,1224 4.289,1225 0.111,1226 3.318,1227 4.866,1228 0.86,1229 11.761,1230 3.224,1231 1.96,1232 1.931,1233 2.041,1234 2.081,1235 1.218,1236 2.065,1237 1.852,1238 1.825,1239 1.951,1240 1.975,1241 1.102,1242 1.958,1243 1.751,1244 1.71,1245 1.918,1246 1.941,1247 1.031,1248 1.948,1249 1.546,1250 1.509,1251 1.649,1252 1.77,1253 0.825,1254 1.739,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.7,1260 1.429,1261 0.999,1262 0.979,1263 1.181,1264 1.227,1265 0.261,1266 1.193,1267 0.942,1268 0.904,1269 1.142,1270 1.115,1271 0.24,1272 1.107,1273 0.886,1274 0.821,1275 1.113,1276 1.062,1277 0.218,1278 1.101,1279 4.078,1281 5.407,1282 2.398,1283 6.956,1284 4.844,1285 8.6,1286 7.066,1287 10.295,1295 2.935,1297 5.479,1300 2.197,1305 27.676,1306 64.949,1307 143.253,1308 173.253,1309 188.905,1310 191.66,1311 191.66,1312 27.271,1313 7.848,1314 64.28,1315 64.28,1316 29,1317 12.749,1318 4.459,1319 3.524,1320 31.718,1321 77,1322 75,1323 0.208,1324 164.881,1325 269.68,1326 394.07,1327 25835,1329 16.64,1330 0.666,1331 0.542,1332 16.64,1333 13.553,1334 12.399,1335 0.428,1336 0.287,1337 8.192,1338 11.862,1339 8.082,1340 6.611,1341 12.399,1342 8.334,1343 10.963,1344 0.267,1345 0.146,1346 10.963,1347 5.972,1348 9.914,1349 0.168,1350 0.075,1351 9.914,1352 4.415,1353 8.841,1354 0.105,1355 0.038,1356 8.841,1357 3.17,1358 7.766,1359 0.067,1360 0.019,1361 7.766,1362 2.226,1363 0.311,1364 78.056,1365 0.22,1366 23.535,1367 0.626,1368 140,1369 410.052,1370 155.55,1371 390.874,1372 555.05,1373 372,1374 170,1375 426.825,1376 187.743,1377 427.313,1378 640.72,1379 405,1380 6.796}
{0 CHEMBL390623,1 1.643,2 8,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.054,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.562,19 3.831,20 4.632,21 4.81,22 4.025,23 3.907,24 5.749,25 3.904,26 4.61,27 4.798,28 3.965,29 3.862,30 5.756,31 3.854,32 4.573,33 4.757,34 3.942,35 3.856,36 5.661,37 3.854,38 4.564,39 4.71,40 3.976,41 3.922,42 5.667,43 3.911,44 4.627,45 4.787,46 3.917,47 3.94,48 5.759,49 3.902,50 4.691,51 4.89,52 3.638,53 3.859,54 5.765,55 3.754,56 0.093,57 0.64,58 7.051,59 3.599,60 8.95,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.182,67 6.641,68 0.523,69 1.242,70 20.044,71 7.233,72 32.729,73 9.018,74 0.478,75 1.238,76 19.707,77 6.943,78 44.464,79 8.69,80 0.491,81 1.188,82 19.118,83 6.596,84 35.964,85 7.921,86 0.449,87 1.185,88 16.638,89 6.696,90 24.149,91 7.743,92 0.441,93 1.226,94 18.038,95 7.444,96 32.58,97 8.804,98 0.503,99 1.182,100 22.488,101 9.051,102 52.507,103 11.177,104 2,105 43,106 0.282,107 0.649,108 0.773,109 0.836,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,119 45.2,125 4,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 6,180 2,183 5,186 4,187 5,192 2,195 2,198 2,199 9,202 2,204 1,207 1,211 3,212 6,220 2,223 1,224 6,227 1,229 1,232 4,236 1,237 6,240 1,242 1,245 4,249 1,250 5,253 1,255 1,258 3,263 4,266 1,271 1,275 876,276 18.206,277 18.206,278 18.206,279 18.206,280 18.206,281 15.835,282 12.611,283 10.823,284 18.668,285 14.869,286 14.869,287 14.869,288 14.869,289 14.869,290 11.273,291 16.024,292 5.177,293 15.627,294 3.749,295 1.617,296 0.893,297 0.524,298 0.476,299 0.476,300 4.024,303 1,304 1,305 1,306 469,307 2.121,310 36.683,311 224.759,314 146.833,318 1,319 27.049,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 208,332 4.781,333 3.386,334 6.941,335 4.293,336 3.324,337 4.867,338 0.86,339 11.774,340 3.227,341 4.324,342 3.022,343 6.438,344 3.914,345 2.941,346 4.001,347 0.8,348 9.915,349 2.859,350 4.066,351 2.973,352 6.278,353 3.706,354 2.766,355 3.649,357 9.384,358 2.598,359 3.555,360 2.413,361 5.464,362 3.153,363 2.214,364 2.934,366 6.763,367 2.073,368 3.357,369 2.173,370 5.08,371 2.908,372 1.951,373 2.712,375 5.769,376 1.863,377 3.176,378 1.976,379 4.911,380 2.747,381 1.808,382 2.379,384 5.309,385 1.698,386 2.917,387 1.727,388 4.233,389 2.481,390 1.528,391 2.07,393 3.715,394 1.453,395 2.861,396 1.519,397 3.941,398 2.392,399 1.414,400 2.017,402 3.144,403 1.377,404 2.654,405 1.42,406 3.615,407 2.246,408 1.312,409 1.708,411 2.915,412 1.215,413 2.605,414 1.256,415 3.593,416 2.095,417 1.121,418 1.653,420 2.813,421 1.089,422 2.281,423 1.134,424 3.548,425 1.952,426 1,427 1.244,428 2.567,429 0.946,430 2,431 1.086,432 3.263,433 1.91,434 1,435 1,436 2.136,437 0.905,438 1.9,439 0.53,440 3.247,441 1.432,442 0.479,443 0.671,445 1.262,446 0.455,447 1.181,448 0.102,449 2.737,450 0.779,451 -0.16,452 -0.204,454 -0.369,455 -0.148,456 0.953,457 -0.27,458 2.646,459 0.525,460 -0.4,461 -0.495,463 -1.049,464 -0.369,465 12.1,466 0.465,467 0.534,468 0.021,469 37.5,470 1.442,471 19,472 0.731,473 18.5,474 0.712,475 18.386,476 0.707,477 26.9,478 0.64,479 26.916,480 1.035,481 7.444,482 0.286,483 5.365,484 0.206,485 0.028,487 0.364,493 0.922,494 1.35,495 0.676,496 1.072,497 0.903,498 0.87,499 1.093,500 1.048,501 0.844,502 0.911,503 0.776,504 0.837,505 0.956,506 1.101,507 0.838,508 0.905,509 0.851,510 0.857,511 0.974,512 1.077,513 0.899,514 0.932,515 0.983,516 0.898,517 1.165,518 0.88,519 0.934,520 0.761,521 1.022,522 0.777,523 1.04,524 1.123,525 1.059,526 1.046,527 0.908,528 1.043,529 0.963,530 1.078,531 1.192,532 1.219,533 0.995,534 1.232,535 1.045,536 1.061,537 1.323,538 1.328,539 1.424,540 1.391,541 3.5,543 2.889,544 1.951,545 1.115,546 1.174,547 0.722,548 0.281,549 0.14,550 0.083,551 7508,552 20550,553 2.241,554 38.1,556 14,558 1,559 1,564 1.701,565 2.167,566 2.997,567 -0.294,568 1,569 1,571 1,573 69.012,574 1.643,575 3.775,576 4.499,577 4.869,578 4.916,579 4.916,580 2.252,581 4.393,582 4.673,583 3.134,584 1018.41,585 8.152,586 12260.4,587 1,588 1,590 1,591 226.477,592 1.142,593 4.66,594 0.117,596 0.067,597 0.043,598 0.027,599 0.028,600 0.017,601 0.007,602 0.005,603 0.007,604 0.318,605 0.5,606 0.88,607 0.362,608 123.014,609 -0.092,610 -0.256,611 0.06,612 -0.095,613 -0.104,614 -0.008,615 -0.074,616 0.035,617 0.009,618 0.029,619 -0.022,620 0.033,621 0.057,622 -0.071,623 0.105,624 0.042,625 0.069,626 0.07,627 -0.002,628 -0.026,629 0.049,630 -0.002,631 0.063,632 0.025,633 -0.131,634 0.18,635 0.01,636 0.169,637 -0.119,638 0.133,639 -0.064,640 -0.056,641 -0.202,642 -0.1,643 -0.094,644 -0.159,645 -0.04,646 -0.04,647 -0.315,648 -0.26,649 -0.037,650 -0.317,651 -0.066,652 -0.163,653 -0.331,654 -0.312,655 -0.147,656 -0.372,657 1.522,658 4.252,659 0.962,660 19.485,661 1.016,662 1.122,663 2.385,664 5.688,665 0.689,666 3.434,667 3.784,668 4.143,669 4.489,670 4.796,671 4.963,672 5.231,673 5.438,674 5.525,675 5.617,676 5.17,677 0.676,678 348.39,679 3.434,680 4.99,681 5.878,682 6.783,683 7.692,684 8.61,685 9.529,686 10.454,687 11.379,688 12.308,689 9.5,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,728 1,731 42,733 21,734 1,735 30,737 46,738 19,739 15,740 2,741 4,746 5,747 8,761 15,762 4,777 1,778 1,780 1,781 16,782 7,783 1,784 7,790 4,794 0.6,795 3,805 1,806 1,811 1,812 4,815 2,839 1,840 3,848 26,853 1,854 4,856 1,859 1,870 7.1,872 1,874 1,875 1,877 12,878 7.667,879 5.611,880 2.547,881 4.195,882 1.528,883 1.024,884 3.731,885 12.133,886 3.726,887 4.404,888 5.119,889 5.836,890 6.501,891 6.992,892 7.59,893 8.143,894 8.518,895 8.946,896 0.667,897 45,898 9.607,900 4.228,901 7.705,902 18.329,904 15.44,905 2.205,906 57.333,909 1,910 176.567,911 101.103,912 53.481,914 63.191,917 101.103,918 239.757,919 53.481,921 13.396,922 56.857,923 120.218,924 31.91,925 7.164,926 164.795,928 176.567,929 154.584,930 63.191,933 178.894,934 52.191,935 11,937 28.995,938 72.904,939 50.357,941 176.567,942 116.671,943 101.103,946 176.567,947 35.198,948 69.029,950 113.547,951 176.567,952 116.671,953 101.103,955 0.581,956 0.352,957 0.205,958 0.117,959 24,960 9,961 0.043,962 2,963 2,964 1.16,965 3.756,966 244.279,967 0.16,968 25,969 118.211,974 15.558,975 6.236,976 2.622,977 2.666,978 116.671,979 12.54,980 13.713,982 5.977,984 1.894,986 42.683,987 394.341,988 40.5,999 42.691,1000 47.113,1001 0.305,1002 0.7,1003 0.834,1004 0.903,1005 0.912,1006 0.912,1007 4.965,1008 1.414,1009 5.861,1010 3.715,1011 4.466,1012 5.091,1013 1.235,1014 6.725,1015 4.375,1016 6.186,1017 1.312,1018 7.442,1019 3.144,1020 4.007,1021 4.956,1022 0.325,1023 7.711,1024 3.886,1025 7.513,1026 1.121,1027 9.131,1028 2.915,1029 6.094,1030 7.425,1031 0.938,1032 10.888,1033 5.93,1034 8.884,1035 1,1036 10.885,1037 2.813,1038 6.524,1039 8.206,1040 0.268,1041 12.742,1042 6.338,1043 10.294,1044 1,1045 12.681,1046 2.567,1047 8.047,1048 10.118,1049 0.732,1050 15.421,1051 7.823,1052 11.733,1053 0.479,1054 14.505,1055 2.136,1056 8.887,1057 11.328,1058 0.188,1059 17.616,1060 8.643,1061 13.194,1062 -0.16,1063 16.35,1064 1.262,1065 10.186,1066 13.021,1067 0.57,1068 20.131,1069 9.909,1070 3.324,1071 -0.4,1072 18.208,1073 -0.369,1074 11.214,1075 14.431,1076 0.125,1077 22.467,1078 10.914,1079 2.941,1080 11.774,1081 20.078,1082 -1.049,1083 12.428,1084 16.041,1085 0.438,1086 24.929,1087 12.098,1088 2.766,1089 9.915,1090 21.956,1091 4.867,1092 13.538,1093 17.541,1094 0.082,1095 27.326,1096 13.184,1097 2.214,1098 9.384,1099 23.841,1100 4.001,1101 14.723,1102 19.123,1103 0.334,1104 29.775,1105 14.342,1106 1.951,1107 6.763,1108 25.731,1109 3.649,1110 15.871,1111 20.664,1112 0.054,1113 32.201,1114 15.464,1115 1.808,1116 5.769,1117 27.626,1118 2.934,1119 17.05,1120 22.239,1121 0.252,1122 34.65,1123 16.616,1124 1.528,1125 5.309,1126 29.525,1127 2.712,1128 18.217,1129 23.799,1130 0.035,1131 37.091,1132 17.756,1133 6908,1134 11568,1135 20.978,1136 28.955,1137 45.857,1138 45.952,1139 46.573,1140 45.761,1141 45.715,1142 61.808,1143 3.32,1144 134.931,1145 43.515,1146 5.781,1147 5.386,1148 6.743,1149 5.397,1150 5.324,1151 7.867,1152 1.72,1153 19.323,1154 5.227,1155 6.315,1156 1.529,1157 1.532,1158 1.552,1159 1.525,1160 1.524,1161 2.06,1162 0.111,1163 4.498,1164 1.451,1165 4.183,1166 4.2,1167 4.172,1168 4.047,1169 6.469,1170 4.074,1171 3.894,1172 3.916,1173 3.845,1174 3.821,1175 5.28,1176 3.823,1177 3.768,1178 3.822,1179 3.67,1180 3.568,1181 4.804,1182 3.585,1183 3.533,1184 3.58,1185 3.459,1186 3.369,1187 4.618,1188 3.384,1189 3.111,1190 3.206,1191 3.048,1192 2.945,1193 4.56,1194 2.962,1195 3.105,1196 3.131,1197 2.866,1198 2.941,1199 4.339,1200 2.91,1201 2.943,1202 2.992,1203 2.861,1204 2.746,1205 4.032,1206 2.752,1207 2.928,1208 2.971,1209 2.819,1210 2.714,1211 3.808,1212 2.736,1213 0.159,1214 0.113,1215 0.231,1216 0.143,1217 0.111,1218 4.781,1219 0.162,1220 3.386,1221 0.029,1222 6.941,1223 0.392,1224 4.293,1225 0.108,1226 3.324,1227 4.867,1228 0.86,1229 11.774,1230 3.227,1231 1.955,1232 1.93,1233 2.024,1234 2.081,1235 1.218,1236 2.061,1237 1.848,1238 1.824,1239 1.944,1240 1.975,1241 1.095,1242 1.957,1243 1.75,1244 1.71,1245 1.917,1246 1.942,1247 1.026,1248 1.943,1249 1.546,1250 1.509,1251 1.649,1252 1.77,1253 0.825,1254 1.739,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.7,1260 1.429,1261 0.998,1262 0.98,1263 1.157,1264 1.229,1265 0.26,1266 1.194,1267 0.942,1268 0.905,1269 1.126,1270 1.147,1271 0.238,1272 1.132,1273 0.883,1274 0.839,1275 1.098,1276 1.115,1277 0.146,1278 1.101,1279 4.111,1281 5.451,1282 2.398,1283 7.008,1284 4.844,1285 8.66,1286 7.066,1287 10.363,1294 10.252,1295 2.708,1297 5.458,1300 2.124,1305 28.391,1306 69.012,1307 158.561,1308 188.968,1309 204.477,1310 206.477,1311 206.477,1312 34.084,1313 7.938,1314 84.51,1315 84.51,1316 29,1317 12.811,1318 4.459,1319 3.524,1320 33.492,1321 82,1322 74,1323 0.208,1324 168.877,1325 278.47,1326 403.821,1327 28842,1329 17.51,1330 0.673,1331 0.535,1332 17.51,1333 13.922,1334 12.81,1335 0.427,1336 0.282,1337 8.317,1338 12.205,1339 8.217,1340 6.708,1341 12.81,1342 8.474,1343 11.491,1344 0.267,1345 0.142,1346 11.491,1347 6.123,1348 10.381,1349 0.167,1350 0.073,1351 10.381,1352 4.528,1353 9.246,1354 0.105,1355 0.037,1356 9.246,1357 3.237,1358 7.961,1359 0.066,1360 0.019,1361 7.961,1362 2.248,1363 0.31,1364 81.097,1365 0.218,1366 24.269,1367 0.626,1368 146,1369 450.201,1370 163.654,1371 427.066,1372 599.3,1373 404,1374 178,1375 456.855,1376 197.736,1377 456.285,1378 684.01,1379 432,1380 6.398}
{0 CHEMBL390850,1 1.757,2 7.053,3 1.839,4 3.383,5 75.607,6 8.786,7 0.682,8 3.599,9 3.698,10 3.385,11 3.194,12 4.672,13 3.169,14 4.152,15 4.308,16 3.786,17 3.599,18 5.181,19 3.554,20 4.295,21 4.483,22 3.845,23 3.676,24 5.253,25 3.602,26 4.234,27 4.435,28 3.692,29 3.649,30 5.17,31 3.53,32 4.176,33 4.372,34 3.515,35 3.546,36 5.143,37 3.411,38 4.083,39 4.285,40 3.3,41 3.338,42 5.023,43 3.232,44 3.858,45 4.1,46 2.786,47 2.959,48 4.796,49 2.87,50 3.515,51 3.762,52 2.285,53 2.658,54 4.388,55 2.497,56 0.034,57 0.515,58 5.149,59 2.784,60 4.184,61 3.087,62 0.268,63 0.87,64 12.584,65 4.714,66 15.697,67 5,68 0.3,69 0.985,70 16.757,71 5.749,72 15.205,73 6.77,74 0.207,75 0.941,76 16.499,77 6.27,78 14.227,79 7.24,80 0.241,81 0.873,82 19.278,83 6.61,84 17.443,85 7.241,86 0.184,87 0.759,88 16.119,89 5.309,90 14.025,91 5.858,92 0.24,93 0.551,94 9.895,95 3.243,96 17.379,97 4.091,98 0.13,99 0.367,100 7.062,101 2.817,102 12.199,103 3.82,105 31,106 0.327,107 0.665,108 0.79,109 0.802,110 0.802,111 0.802,112 3.013,113 0.963,114 -2.55,115 -2.57,116 -2.51,119 41.9,125 4,142 2,143 1,145 1,146 1,147 1,148 1,152 1,161 1,172 2,174 2,175 4,183 2,186 1,187 5,195 1,198 2,199 3,207 1,211 3,212 2,224 3,236 1,237 1,249 1,250 1,263 1,275 371,276 13.483,277 13.483,278 13.483,279 13.483,280 13.483,281 11.825,282 10.455,283 8.106,284 14.095,285 10.914,286 10.914,287 10.914,288 10.914,289 10.914,290 8.399,291 14.862,292 3.859,293 11.919,294 3.198,295 1.379,296 0.71,297 0.645,298 0.645,299 0.645,300 3.72,303 1,304 1,305 1,306 304,307 1.732,310 23.335,311 111.725,314 95.884,318 1.014,319 13.076,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 41,331 134,332 4.755,333 3.352,334 6.915,335 4.218,336 3.287,337 4.846,338 0.86,339 11.661,340 3.062,341 4.091,342 2.973,343 6.285,344 3.709,345 2.78,346 3.696,347 0.8,348 9.412,349 2.581,350 3.518,351 2.394,352 5.453,353 3.105,354 2.182,355 2.889,357 6.691,358 2.007,359 3.201,360 2.077,361 4.935,362 2.72,363 1.829,364 2.443,366 5.375,367 1.619,368 2.984,369 1.743,370 4.238,371 2.484,372 1.58,373 2.141,375 3.79,376 1.415,377 2.82,378 1.493,379 3.812,380 2.249,381 1.349,382 1.977,384 3.066,385 1.212,386 2.642,387 1.319,388 3.604,389 2.231,390 1.304,391 1.687,393 2.912,394 1.189,395 2.274,396 1.256,397 3.511,398 1.952,399 1,400 1.239,402 2.524,403 0.946,404 2,405 1.091,406 3.247,407 1.909,408 1,409 1,411 2.136,412 0.904,413 1.842,414 0.444,415 3.08,416 1.261,417 0.399,418 0.569,420 1.006,421 0.338,422 0.966,423 -0.275,424 2.465,425 0.511,426 -0.399,427 -0.493,428 -0.966,429 -0.359,430 0.799,431 -0.36,432 2.405,433 0.227,434 -0.701,435 -1,436 -1.78,437 -0.634,438 0.572,439 -0.701,440 2.139,441 0.097,442 -0.828,443 -1.023,445 -1.958,446 -0.764,447 0.317,448 -0.755,449 2,450 -0.041,451 -1,452 -1.052,454 -2.347,455 -0.846,456 0.203,457 -0.959,458 1.786,459 -0.149,460 -1,461 -1.396,463 -2.421,464 -0.955,465 9.267,466 0.488,467 0.325,468 0.017,469 26.25,470 1.382,471 12.5,472 0.658,473 13.75,474 0.724,475 13.373,476 0.704,477 19.533,478 0.63,479 14.724,480 0.775,481 4.957,482 0.261,483 4.475,484 0.236,487 0.313,493 0.869,494 1.37,495 0.656,496 0.957,497 0.694,498 0.868,499 1.427,500 0.876,501 0.854,502 0.714,503 1.165,504 0.722,505 1.056,506 1.09,507 0.821,508 0.862,509 0.916,510 0.821,511 0.692,512 0.962,513 1.064,514 1.008,515 0.784,516 0.972,517 0.678,518 1.077,519 1.526,520 1.414,521 0.805,522 1.175,523 1.054,524 1.294,525 1.379,526 1.444,527 1.155,528 1.293,529 1.411,530 0.778,531 0.902,532 0.769,533 1.617,534 1.091,535 0.697,536 0.875,537 0.835,538 1.008,539 1.021,540 1.331,541 2,543 2,544 1.514,545 0.622,546 0.507,547 0.241,548 0.036,549 0.029,550 0.007,551 3294,552 8991,553 2.273,554 38.7,556 10,558 2,564 1.608,565 2.235,566 2.87,567 -0.672,569 1,571 1,573 54.455,574 1.757,575 3.575,576 4.245,577 4.309,578 4.309,579 4.309,580 2.249,581 3.932,582 4.222,583 2.925,584 500.139,585 7.213,586 4695.76,587 1,588 1,590 1,591 153.58,592 0.9,593 4.22,594 0.091,596 0.065,597 0.049,598 0.023,599 0.022,600 0.013,601 0.003,602 0.005,603 0.003,604 0.274,605 0.67,606 1,608 79.974,609 -0.047,610 -0.305,611 0.082,612 -0.071,613 0.07,614 -0.028,615 -0.203,616 0.188,617 0.049,618 0.212,619 -0.141,620 0.138,621 -0.031,622 -0.089,623 0.158,624 0.114,625 0.001,626 0.12,627 0.009,628 0.064,629 -0.005,630 0.037,631 0.038,632 0.01,633 0.105,634 -0.046,635 -0.268,636 -0.233,637 0.096,638 -0.162,639 -0.126,640 -0.302,641 -0.305,642 -0.415,643 -0.172,644 -0.326,645 -0.197,646 0.142,647 -0.204,648 -0.042,649 -0.36,650 -0.182,651 0.152,652 -0.063,653 -0.125,654 -0.212,655 -0.044,656 -0.314,657 0.741,658 1.898,659 1,660 10.87,661 1.011,662 1.122,663 1.319,664 1.739,665 0.715,666 3.135,667 3.466,668 3.829,669 4.174,670 4.443,671 4.522,672 4.71,673 4.836,674 4.779,675 4.796,676 4.302,677 0.68,678 272.36,679 3.135,680 4.673,681 5.557,682 6.457,683 7.362,684 8.274,685 9.187,686 10.104,687 11.021,688 11.94,689 12.9,695 1,699 3,703 4,704 4,705 3,708 1,709 1,711 15,726 1,731 31,733 15,735 22,737 34,738 13,739 9,746 4,747 7,761 9,762 4,777 1,778 1,781 12,782 5,784 6,785 1,790 4,794 0.5,795 1,805 1,806 1,811 1,812 3,815 2,839 1,840 2,842 1,848 19,854 4,856 1,859 1,865 1,870 3.2,874 1,877 8.5,878 5.717,879 4.139,880 1.906,881 3.277,882 1.459,883 1.052,884 2.729,885 10.415,886 3.418,887 4.082,888 4.812,889 5.54,890 6.175,891 6.618,892 7.138,893 7.606,894 7.765,895 8.059,896 0.8,897 31,898 7.005,900 3.022,901 7.535,902 13.68,904 11.567,905 2.035,906 38.667,907 0.002,910 141.253,911 89.4,912 53.481,914 11,916 31.278,917 58.122,918 152.253,919 53.481,921 13.396,922 18.952,923 85.216,924 25.507,925 3.074,926 148.989,928 141.253,929 111.603,930 11,931 31.278,933 141.253,935 11,937 33.523,938 27.723,939 50.357,940 31.278,941 141.253,942 64.481,943 89.4,946 141.253,947 52.782,948 39.743,950 61.356,951 141.253,952 64.481,953 89.4,955 0.574,956 0.352,957 0.212,958 0.12,959 18,960 6,961 0.029,962 1,963 2,964 1.211,965 3.209,966 153.247,967 0.211,968 19,969 76.711,970 1,974 11.355,975 4.566,976 1.839,977 4.259,978 64.481,979 7.48,980 13.306,983 1.663,984 1.01,987 295.134,988 29.5,999 31.345,1000 34.783,1001 0.355,1002 0.722,1003 0.857,1004 0.87,1005 0.87,1006 0.87,1007 4.642,1008 1,1009 5.525,1010 2.912,1011 4.143,1012 4.766,1013 1.235,1014 6.382,1015 3.976,1016 5.848,1017 1,1018 7.098,1019 2.524,1020 3.611,1021 4.62,1022 0.325,1023 7.368,1024 3.388,1025 7.169,1026 0.399,1027 8.781,1028 2.136,1029 5.753,1030 7.118,1031 0.938,1032 10.555,1033 5.441,1034 8.539,1035 -0.399,1036 10.535,1037 1.006,1038 6.155,1039 7.938,1040 0.268,1041 12.441,1042 5.786,1043 9.953,1044 -0.701,1045 12.334,1046 -0.966,1047 7.707,1048 9.859,1049 0.732,1050 15.122,1051 7.263,1052 11.399,1053 -0.828,1054 14.164,1055 -1.78,1056 8.545,1057 11.114,1058 0.188,1059 17.346,1060 8.036,1061 12.869,1062 -1,1063 16.015,1064 -1.958,1065 9.858,1066 12.815,1067 0.57,1068 19.868,1069 9.28,1070 3.287,1071 -1,1072 17.881,1073 -2.347,1074 10.891,1075 14.258,1076 0.125,1077 22.223,1078 10.243,1079 2.78,1080 11.661,1081 19.759,1082 -2.421,1083 12.114,1084 15.876,1085 0.438,1086 24.693,1087 11.398,1088 2.182,1089 9.412,1090 21.646,1091 4.846,1092 13.23,1093 17.398,1094 0.082,1095 27.101,1096 12.443,1097 1.829,1098 6.691,1099 23.539,1100 3.696,1101 14.422,1102 18.987,1103 0.334,1104 29.556,1105 13.566,1106 1.58,1107 5.375,1108 25.437,1109 2.889,1110 15.575,1111 20.54,1112 0.054,1113 31.987,1114 14.647,1115 1.349,1116 3.79,1117 27.34,1118 2.443,1119 16.757,1120 22.12,1121 0.252,1122 34.438,1123 15.76,1124 1.304,1125 3.066,1126 29.247,1127 2.141,1128 17.926,1129 23.687,1130 0.035,1131 36.881,1132 16.858,1133 3062,1134 5170,1135 15.603,1136 22.171,1137 33.435,1138 33.627,1139 33.798,1140 33.405,1141 33.419,1142 44.973,1143 3.32,1144 97.146,1145 30.548,1146 5.755,1147 5.352,1148 6.717,1149 5.349,1150 5.287,1151 7.846,1152 1.72,1153 19.199,1154 5.004,1156 1.52,1157 1.529,1158 1.536,1159 1.518,1160 1.519,1161 2.044,1162 0.151,1163 4.416,1164 1.389,1165 4.15,1166 4.167,1167 4.393,1168 4.134,1169 5.115,1170 4.094,1171 3.776,1172 3.831,1173 3.69,1174 3.577,1175 4.778,1176 3.595,1177 3.556,1178 3.61,1179 3.486,1180 3.392,1181 4.606,1182 3.397,1183 3.111,1184 3.206,1185 3.332,1186 2.998,1187 4.033,1188 2.942,1189 3.056,1190 3.09,1191 2.869,1192 2.941,1193 3.959,1194 2.91,1195 2.922,1196 2.981,1197 2.866,1198 2.723,1199 3.798,1200 2.73,1201 2.749,1202 2.823,1203 2.662,1204 2.505,1205 3.474,1206 2.524,1207 2.44,1208 2.514,1209 2.34,1210 2.225,1211 3.469,1212 2.229,1213 0.216,1214 0.152,1215 0.314,1216 0.192,1217 0.149,1218 4.755,1219 0.22,1220 3.352,1221 0.039,1222 6.915,1223 0.53,1224 4.218,1225 0.139,1226 3.287,1227 4.846,1228 0.86,1229 11.661,1230 3.062,1231 1.907,1232 1.878,1233 1.98,1234 2.046,1235 1.217,1236 2.027,1237 1.781,1238 1.75,1239 1.91,1240 1.944,1241 1.056,1242 1.944,1243 1.574,1244 1.533,1245 1.654,1246 1.76,1247 0.825,1248 1.757,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.821,1254 1.429,1255 1.007,1256 0.994,1257 1.102,1258 1.141,1259 0.288,1260 1.145,1261 0.865,1262 0.811,1263 1.049,1264 1.039,1265 0.221,1266 1.063,1267 0.716,1268 0.641,1269 0.904,1270 0.977,1271 0.051,1272 1.019,1273 0.517,1274 0.435,1275 0.805,1276 0.75,1278 0.781,1279 3.807,1281 5.13,1282 2.398,1283 6.678,1284 4.844,1285 8.326,1286 7.066,1287 10.023,1295 3.283,1297 5.398,1300 2.267,1305 21.095,1306 54.455,1307 110.825,1308 131.58,1309 133.58,1310 133.58,1311 133.58,1312 18.093,1313 7.138,1314 51.14,1315 79.38,1316 23,1317 12.449,1318 4,1319 3.087,1320 24.241,1321 49,1322 47,1323 0.254,1324 130.637,1325 206.78,1326 310.515,1327 11042,1329 12.656,1330 0.666,1331 0.582,1332 13.01,1333 11.06,1334 9.433,1335 0.429,1336 0.321,1337 6.198,1338 8.567,1339 6.039,1340 4.915,1341 9.841,1342 7.059,1343 8.265,1344 0.267,1345 0.175,1346 8.88,1347 5.432,1348 7.523,1349 0.167,1350 0.098,1351 8.367,1352 4.419,1353 6.806,1354 0.106,1355 0.055,1356 7.822,1357 3.514,1358 5.828,1359 0.069,1360 0.029,1361 6.793,1362 2.47,1363 0.376,1364 63.616,1365 0.253,1366 18.472,1367 0.769,1368 106,1369 313.176,1370 142.745,1371 319.401,1372 448.33,1373 304,1374 129,1375 319.59,1376 166.483,1377 337.844,1378 506.05,1379 319,1380 5.854}
{0 CHEMBL390852,1 1.631,2 7.053,3 1.271,4 1.615,5 71.409,6 7.978,7 0.682,8 3.633,9 3.753,10 3.281,11 3.118,12 4.715,13 3.141,14 4.186,15 4.361,16 3.638,17 3.515,18 5.228,19 3.523,20 4.353,21 4.563,22 3.66,23 3.608,24 5.333,25 3.579,26 4.313,27 4.542,28 3.535,29 3.556,30 5.268,31 3.506,32 4.266,33 4.504,34 3.408,35 3.469,36 5.227,37 3.399,38 4.204,39 4.455,40 3.212,41 3.324,42 5.111,43 3.239,44 3.955,45 4.214,46 2.795,47 2.998,48 4.856,49 2.896,50 3.515,51 3.762,52 2.285,53 2.658,54 4.388,55 2.497,56 0.047,57 0.546,58 5.946,59 2.439,60 4.772,61 3.177,62 0.287,63 0.866,64 12.607,65 4.055,66 16.711,67 5.282,68 0.355,69 0.978,70 16.006,71 5.11,72 18.679,73 7.155,74 0.257,75 0.944,76 15.305,77 4.777,78 18.169,79 7.015,80 0.293,81 0.857,82 15.093,83 4.785,84 21.596,85 7.005,86 0.266,87 0.751,88 14.795,89 4.427,90 19.551,91 6.583,92 0.284,93 0.529,94 12.215,95 3.419,96 20.185,97 4.909,98 0.131,99 0.34,100 7.365,101 2.713,102 12.205,103 3.864,105 31,106 0.301,107 0.677,108 0.797,109 0.809,110 0.809,111 0.809,112 3.013,113 0.864,114 -2.59,115 -2.61,116 -2.54,119 40.6,125 4,142 2,143 1,145 1,146 1,147 1,148 1,152 1,161 1,172 2,174 2,175 3,178 1,180 1,183 1,186 1,187 2,190 3,192 1,198 2,199 3,204 1,211 3,212 2,224 2,227 1,236 1,237 1,249 1,250 1,263 1,275 371,276 13.483,277 13.483,278 13.483,279 13.483,280 13.483,281 11.825,282 10.455,283 8.106,284 13.985,285 10.914,286 10.914,287 10.914,288 10.914,289 10.914,290 8.399,291 14.862,292 3.859,293 11.707,294 3.369,295 1.336,296 0.688,297 0.625,298 0.625,299 0.625,300 3.72,304 1,305 1,306 304,307 1.732,310 23.335,311 111.725,314 95.884,318 1.014,319 14.218,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 41.5,331 134,332 4.755,333 3.352,334 6.915,335 4.245,336 3.287,337 4.846,338 0.86,339 11.661,340 3.153,341 4.091,342 2.973,343 6.285,344 3.716,345 2.78,346 3.696,347 0.8,348 9.412,349 2.599,350 3.518,351 2.394,352 5.453,353 3.117,354 2.182,355 2.889,357 6.691,358 2.036,359 3.201,360 2.077,361 4.935,362 2.753,363 1.829,364 2.443,366 5.375,367 1.686,368 2.984,369 1.743,370 4.238,371 2.513,372 1.58,373 2.141,375 3.79,376 1.473,377 2.82,378 1.493,379 3.812,380 2.26,381 1.349,382 1.977,384 3.066,385 1.237,386 2.642,387 1.319,388 3.604,389 2.238,390 1.304,391 1.687,393 2.912,394 1.199,395 2.274,396 1.256,397 3.511,398 1.952,399 1,400 1.239,402 2.524,403 0.946,404 2,405 1.091,406 3.247,407 1.91,408 1,409 1,411 2.136,412 0.904,413 1.842,414 0.444,415 3.08,416 1.321,417 0.399,418 0.569,420 1.006,421 0.367,422 0.966,423 -0.275,424 2.465,425 0.521,426 -0.399,427 -0.493,428 -0.966,429 -0.366,430 0.799,431 -0.36,432 2.405,433 0.251,434 -0.701,435 -1,436 -1.78,437 -0.662,438 0.572,439 -0.701,440 2.139,441 0.112,442 -0.828,443 -1.023,445 -1.958,446 -0.777,447 0.317,448 -0.755,449 2,450 -0.041,451 -1,452 -1.052,454 -2.347,455 -0.846,456 0.203,457 -0.959,458 1.786,459 -0.149,460 -1,461 -1.396,463 -2.421,464 -0.955,465 8.833,466 0.465,467 0.325,468 0.017,469 26.75,470 1.408,471 12.5,472 0.658,473 14.25,474 0.75,475 12.132,476 0.639,477 19.967,478 0.624,479 15.965,480 0.84,481 5.282,482 0.278,483 4.15,484 0.218,487 0.328,493 0.941,494 1.58,495 0.69,496 1.177,497 0.748,498 0.931,499 1.363,500 1.007,501 0.927,502 0.827,503 1.111,504 0.81,505 1.005,506 1.036,507 0.914,508 0.905,509 0.882,510 0.904,511 0.836,512 1.084,513 0.988,514 1.001,515 0.924,516 1.002,517 0.775,518 0.977,519 1.018,520 1.026,521 0.9,522 1.049,523 0.954,524 1.042,525 1.095,526 1.087,527 1.048,528 1.1,529 1.372,530 0.743,531 1.269,532 0.941,533 1.521,534 1.06,535 0.661,536 0.928,537 1.24,538 1.37,539 0.981,540 1.414,541 2,543 2,544 1.514,545 0.622,546 0.507,547 0.241,548 0.036,549 0.029,550 0.007,551 3294,552 8589,553 2.273,554 40.6,556 10,558 2,559 1,564 1.608,565 2.235,566 2.87,567 -0.198,569 1,571 1,573 52.179,574 1.631,575 3.664,576 4.313,577 4.375,578 4.375,579 4.375,580 2.249,581 3.932,582 4.222,583 2.925,584 500.139,585 7.213,586 4695.76,587 1,588 1,591 160,592 0.9,593 4.22,594 0.091,596 0.065,597 0.049,598 0.023,599 0.022,600 0.013,601 0.003,602 0.005,603 0.003,604 0.274,605 0.67,606 1,608 79.974,609 -0.085,610 -0.402,611 0.083,612 -0.173,613 0.035,614 -0.037,615 -0.166,616 0.086,617 -0.029,618 0.114,619 -0.1,620 0.068,621 0.015,622 -0.016,623 0.026,624 0.052,625 0.045,626 0.031,627 -0.064,628 -0.049,629 -0.061,630 -0.057,631 -0.049,632 -0.055,633 0.051,634 0.015,635 -0.065,636 -0.07,637 0.019,638 -0.083,639 -0.044,640 -0.105,641 -0.101,642 -0.134,643 -0.078,644 -0.12,645 -0.174,646 0.139,647 -0.217,648 0.003,649 -0.294,650 -0.086,651 0.145,652 -0.067,653 -0.254,654 -0.33,655 -0.042,656 -0.357,657 0.812,658 1.885,659 1,660 10.87,661 1.012,662 1.136,663 1.359,664 1.846,665 0.673,666 3.135,667 3.466,668 3.829,669 4.174,670 4.443,671 4.522,672 4.71,673 4.836,674 4.779,675 4.796,676 4.302,677 0.654,678 255.31,679 3.135,680 4.673,681 5.557,682 6.457,683 7.362,684 8.274,685 9.187,686 10.104,687 11.021,688 11.94,689 15.6,695 1,697 1,699 3,703 4,704 4,705 3,706 1,709 1,711 15,726 1,731 32,733 15,735 22,737 35,738 13,739 9,746 4,747 7,761 9,762 4,778 1,781 13,782 5,783 1,784 6,790 5,794 0.5,795 1,805 1,806 1,807 1,811 1,812 3,815 2,839 1,840 2,848 19,854 4,856 1,859 1,870 3.1,874 1,877 8.5,878 5.8,879 4.139,880 1.947,881 3.277,882 1.459,883 1.058,884 2.519,885 10.415,886 3.418,887 4.082,888 4.812,889 5.54,890 6.175,891 6.618,892 7.138,893 7.606,894 7.765,895 8.059,896 0.8,897 31,898 6.995,900 3.019,901 7.57,902 13.574,904 11.403,905 2.07,906 39.333,907 0.001,910 141.253,911 60.919,912 70.266,914 11,917 60.919,918 152.253,919 70.266,921 13.396,922 18.952,923 86.614,924 42.293,925 4.472,926 117.711,928 141.253,929 131.186,930 11,933 141.253,935 11,937 51.707,938 29.122,939 50.357,941 141.253,942 81.266,943 60.919,946 141.253,947 24.301,948 39.743,949 16.786,950 61.356,951 141.253,952 81.266,953 60.919,955 0.574,956 0.352,957 0.212,958 0.12,959 18,960 6,961 0.029,962 1,963 2,964 1.211,965 3.209,966 153.247,967 0.211,968 19,969 76.711,974 10.999,975 4.351,976 1.731,977 3.777,978 64.481,979 7.344,980 13.149,981 3.325,984 0.936,986 16.786,987 283.439,988 29.5,999 32.371,1000 36.362,1001 0.326,1002 0.733,1003 0.863,1004 0.875,1005 0.875,1006 0.875,1007 4.642,1008 1,1009 5.525,1010 2.912,1011 4.143,1012 4.766,1013 1.235,1014 6.382,1015 4.016,1016 5.848,1017 1,1018 7.098,1019 2.524,1020 3.611,1021 4.62,1022 0.325,1023 7.368,1024 3.462,1025 7.169,1026 0.399,1027 8.781,1028 2.136,1029 5.753,1030 7.118,1031 0.938,1032 10.555,1033 5.524,1034 8.539,1035 -0.399,1036 10.535,1037 1.006,1038 6.155,1039 7.938,1040 0.268,1041 12.441,1042 5.912,1043 9.953,1044 -0.701,1045 12.334,1046 -0.966,1047 7.707,1048 9.859,1049 0.732,1050 15.122,1051 7.396,1052 11.399,1053 -0.828,1054 14.164,1055 -1.78,1056 8.545,1057 11.114,1058 0.188,1059 17.346,1060 8.215,1061 12.869,1062 -1,1063 16.015,1064 -1.958,1065 9.858,1066 12.815,1067 0.57,1068 19.868,1069 9.473,1070 3.287,1071 -1,1072 17.881,1073 -2.347,1074 10.891,1075 14.258,1076 0.125,1077 22.223,1078 10.479,1079 2.78,1080 11.661,1081 19.759,1082 -2.421,1083 12.114,1084 15.876,1085 0.438,1086 24.693,1087 11.655,1088 2.182,1089 9.412,1090 21.646,1091 4.846,1092 13.23,1093 17.398,1094 0.082,1095 27.101,1096 12.739,1097 1.829,1098 6.691,1099 23.539,1100 3.696,1101 14.422,1102 18.987,1103 0.334,1104 29.556,1105 13.887,1106 1.58,1107 5.375,1108 25.437,1109 2.889,1110 15.575,1111 20.54,1112 0.054,1113 31.987,1114 15.004,1115 1.349,1116 3.79,1117 27.34,1118 2.443,1119 16.757,1120 22.12,1121 0.252,1122 34.438,1123 16.146,1124 1.304,1125 3.066,1126 29.247,1127 2.141,1128 17.926,1129 23.687,1130 0.035,1131 36.881,1132 17.278,1133 3062,1134 5040,1135 15.603,1136 21.529,1137 33.435,1138 33.627,1139 33.798,1140 33.414,1141 33.419,1142 44.973,1143 3.32,1144 97.146,1145 31.199,1146 5.755,1147 5.352,1148 6.717,1149 5.349,1150 5.287,1151 7.846,1152 1.72,1153 19.199,1154 5.097,1156 1.52,1157 1.529,1158 1.536,1159 1.519,1160 1.519,1161 2.044,1162 0.151,1163 4.416,1164 1.418,1165 4.191,1166 4.233,1167 4.17,1168 4.062,1169 5.18,1170 4.085,1171 3.777,1172 3.834,1173 3.686,1174 3.577,1175 4.787,1176 3.595,1177 3.558,1178 3.612,1179 3.475,1180 3.382,1181 4.606,1182 3.396,1183 3.153,1184 3.238,1185 3.062,1186 2.941,1187 4.182,1188 2.944,1189 3.111,1190 3.206,1191 2.866,1192 2.916,1193 4.032,1194 2.91,1195 2.931,1196 2.991,1197 2.861,1198 2.703,1199 3.805,1200 2.732,1201 2.765,1202 2.844,1203 2.648,1204 2.5,1205 3.504,1206 2.526,1207 2.452,1208 2.532,1209 2.316,1210 2.222,1211 3.474,1212 2.23,1213 0.216,1214 0.152,1215 0.314,1216 0.193,1217 0.149,1218 4.755,1219 0.22,1220 3.352,1221 0.039,1222 6.915,1223 0.53,1224 4.245,1225 0.143,1226 3.287,1227 4.846,1228 0.86,1229 11.661,1230 3.153,1231 1.907,1232 1.878,1233 1.98,1234 2.055,1235 1.216,1236 2.031,1237 1.806,1238 1.753,1239 1.935,1240 1.999,1241 1.056,1242 1.983,1243 1.592,1244 1.536,1245 1.747,1246 1.836,1247 0.825,1248 1.818,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.82,1254 1.429,1255 1.091,1256 1.021,1257 1.277,1258 1.35,1259 0.308,1260 1.337,1261 0.876,1262 0.816,1263 1.082,1264 1.123,1265 0.231,1266 1.107,1267 0.723,1268 0.644,1269 1.048,1270 1.017,1271 0.061,1272 1.03,1273 0.522,1274 0.437,1275 0.813,1276 0.778,1278 0.794,1279 3.807,1281 5.13,1282 2.398,1283 6.678,1284 4.844,1285 8.326,1286 7.066,1287 10.023,1295 3.192,1297 5.385,1300 2.225,1305 20.929,1306 52.179,1307 117.245,1308 138,1309 140,1310 140,1311 140,1312 17.927,1313 7.138,1314 66.93,1315 66.93,1316 23,1317 12.449,1318 4,1319 3.087,1320 24.241,1321 49,1322 47,1323 0.254,1324 126.301,1325 199.27,1326 299.934,1327 11042,1329 12.656,1330 0.666,1331 0.544,1332 12.656,1333 10.335,1334 9.433,1335 0.429,1336 0.288,1337 6.201,1338 8.932,1339 6.131,1340 4.999,1341 9.433,1342 6.334,1343 8.265,1344 0.267,1345 0.147,1346 8.265,1347 4.545,1348 7.523,1349 0.167,1350 0.077,1351 7.523,1352 3.444,1353 6.806,1354 0.106,1355 0.039,1356 6.806,1357 2.525,1358 5.828,1359 0.069,1360 0.02,1361 5.828,1362 1.719,1363 0.376,1364 59.941,1365 0.253,1366 18.472,1367 0.769,1368 106,1369 312.649,1370 118.676,1371 298.172,1372 420.85,1373 284,1374 129,1375 319.101,1376 143.176,1377 320.484,1378 478.03,1379 303,1380 4.523}
{0 CHEMBL392070,1 1.899,2 10.269,3 3.58,4 12.815,5 96.38,6 9.36,7 0.571,8 3.835,9 3.911,10 3.74,11 3.391,12 5.105,13 3.382,14 4.324,15 4.44,16 4.053,17 3.748,18 5.854,19 3.746,20 4.496,21 4.617,22 4.122,23 3.868,24 5.932,25 3.844,26 4.647,27 4.79,28 4.029,29 3.796,30 6.076,31 3.777,32 4.549,33 4.725,34 3.954,35 3.604,36 5.904,37 3.61,38 4.436,39 4.58,40 3.925,41 3.548,42 6.219,43 3.559,44 4.421,45 4.62,46 3.696,47 3.534,48 5.846,49 3.495,50 4.218,51 4.383,52 3.503,53 3.416,54 5.573,55 3.385,56 0.252,57 0.638,58 7.373,59 3.775,60 21.053,61 3.654,62 0.561,63 0.962,64 12.211,65 5.786,66 81.51,67 6.02,68 0.56,69 1.132,70 18.299,71 7.638,72 50.837,73 7.167,74 0.896,75 1.173,76 25.224,77 8.484,78 117.725,79 7.514,80 0.925,81 1.029,82 23.588,83 6.967,84 128.612,85 6.516,86 1.084,87 0.934,88 16.06,89 5.482,90 154.521,91 5.492,92 0.751,93 0.893,94 19.404,95 6.394,96 92.268,97 7.051,98 0.567,99 0.71,100 16.222,101 5.875,102 76.177,103 5.885,104 38,105 41,106 0.328,107 0.647,108 0.768,109 0.853,110 0.862,111 0.862,112 3.304,113 0.95,114 -3.83,115 -3.79,116 -3.6,119 40,120 1,124 1,142 7,143 2,144 2,146 1,152 1,155 1,166 4,172 7,174 4,175 5,183 8,186 3,187 16,195 5,198 2,199 16,211 4,212 11,223 9,224 8,236 4,237 5,245 2,250 8,258 4,262 1,263 6,271 7,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.286,282 10.915,283 9.631,284 17.148,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 9.723,291 8.46,292 4.479,293 14.167,294 3.423,295 1.579,296 0.879,297 0.388,298 0.338,299 0.338,300 3.976,303 1,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 45.233,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 59,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.531,342 3.775,343 6.526,344 4.05,345 3.061,346 4.484,348 10.265,349 3.026,350 4.235,351 3.08,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.765,360 2.648,361 5.731,362 3.308,363 2.327,364 3.234,366 7.143,367 2.279,368 3.504,369 2.291,370 5.134,371 3.029,372 2.046,373 2.875,375 6.019,376 2.009,377 3.047,378 1.934,379 4.694,380 2.579,381 1.619,382 2.319,384 4.396,385 1.544,386 3.011,387 1.899,388 4.19,389 2.528,390 1.545,391 2.111,393 3.739,394 1.515,395 2.914,396 1.546,397 3.917,398 2.235,399 1.236,400 2.012,402 3.045,403 1.234,404 2.678,405 1.354,406 3.769,407 2.19,408 1.196,409 1.744,411 2.846,412 1.187,413 2.585,414 1.106,415 3.587,416 2.058,417 1.063,418 1.585,420 2.705,421 1.056,422 2.154,423 1,424 3.245,425 1.683,426 0.701,427 0.986,428 1.614,429 0.687,430 1.824,431 0.89,432 3.011,433 1.198,434 0.255,435 0.378,436 0.586,437 0.24,438 1.251,439 0.513,440 2.745,441 0.88,442 -0.101,443 -0.13,445 -0.235,446 -0.099,447 1,448 0.402,449 2.312,450 0.281,451 -0.697,452 -0.851,454 -1.675,455 -0.68,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -1.158,463 -2,464 -0.777,465 12.1,466 0.465,467 0.869,468 0.033,469 38,470 1.462,471 21.5,472 0.827,473 16.5,474 0.635,475 17.442,476 0.671,477 28.1,478 0.703,479 30.914,480 1.189,481 7.637,482 0.294,483 4.666,484 0.179,485 0.193,486 0.069,487 0.314,493 0.352,494 1.147,495 0.725,496 1.207,497 0.578,498 0.915,499 0.587,500 1.082,501 0.672,502 0.889,503 0.494,504 0.788,505 0.858,506 1.244,507 1.232,508 1.304,509 0.692,510 1.066,511 1.412,512 1.256,513 1.463,514 1.332,515 1.414,516 1.19,517 1.353,518 0.985,519 1.071,520 0.981,521 1.499,522 0.924,523 0.876,524 0.925,525 0.933,526 0.839,527 0.735,528 0.976,529 1.005,530 0.767,531 0.962,532 0.823,533 1.039,534 0.915,535 1.258,536 0.885,537 1.099,538 0.987,539 1.226,540 0.971,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 28334,553 1.983,554 35,555 3,556 10,558 1,564 1.691,565 1.803,566 3.328,567 -0.608,569 1,573 75.965,574 1.899,575 3.743,576 4.443,577 4.934,578 4.984,579 4.984,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,587 1,588 1,589 1,590 1,591 212.877,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.33,606 1,607 0.85,608 126.848,609 0.286,610 0.047,611 0.221,612 -0.063,613 -0.071,614 -0.013,615 0.2,616 0.003,617 0.198,618 0.113,619 0.239,620 0.134,621 -0.048,622 -0.131,623 -0.14,624 -0.16,625 0.06,626 -0.12,627 -0.303,628 -0.262,629 -0.31,630 -0.238,631 -0.23,632 -0.234,633 -0.202,634 -0.017,635 0.021,636 -0.005,637 -0.291,638 0.033,639 0.319,640 0.081,641 -0.006,642 0.045,643 0.412,644 -0.106,645 -0.031,646 0.171,647 0.037,648 0.109,649 -0.014,650 0.101,651 -0.229,653 -0.093,654 0.026,655 -0.157,656 0.067,657 4.98,658 5.694,659 0.577,660 20.982,661 1.038,662 1.126,663 2.6,664 6.763,665 0.694,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.687,678 374.41,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 10,692 1,698 1,699 1,700 1,703 2,704 7,705 1,707 1,709 4,711 16,725 1,731 40,733 21,734 2,735 28,737 42,738 16,739 13,740 5,741 7,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 14,782 8,784 10,785 1,789 1,790 4,794 0.667,795 5,811 1,812 2,815 1,840 2,842 1,844 2,848 26,852 1,859 1,870 12.5,873 2,875 1,876 2,877 14.417,878 7.967,879 5.611,880 2.144,881 3.791,882 1.539,883 0.971,884 4.766,885 10.828,886 3.738,887 4.428,888 5.006,889 5.565,890 6.046,891 6.374,892 6.656,893 6.942,894 6.904,895 7.237,896 0.857,897 43,898 9.905,900 4.631,901 8.285,902 17.378,904 14.088,905 2.785,906 72.417,909 1,910 164.795,911 116.069,912 43.326,914 104.794,916 5.807,917 110.262,918 269.589,919 43.326,920 22.892,922 72.141,923 84.728,924 40.003,925 5.449,926 153.024,927 50.747,928 164.795,929 153.587,930 104.794,931 5.807,933 164.795,934 54.047,935 50.747,937 29.028,938 90.245,939 40.122,941 164.795,942 148.12,943 116.069,945 5.807,946 164.795,947 17.659,948 99.669,950 141.054,951 164.795,952 148.12,953 116.069,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.119,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,973 1,974 18.05,975 6.865,976 3.48,977 1.308,978 142.45,979 10.762,980 3.853,982 5.148,984 0.183,987 428.984,988 41,990 -0.65,991 -4.063,993 47.219,995 1.236,996 3.897,999 41.538,1000 45.036,1001 0.357,1002 0.703,1003 0.835,1004 0.927,1005 0.937,1006 0.937,1007 4.984,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.115,1013 2.501,1014 6.739,1015 4.354,1016 6.263,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.149,1025 7.638,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.519,1031 4.154,1032 11.135,1033 5.985,1034 9.06,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.504,1040 4.506,1041 13.296,1042 6.578,1043 10.518,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.275,1049 5.948,1050 16.011,1051 7.959,1052 12.003,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.587,1058 6.556,1059 18.464,1060 8.877,1061 13.508,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.205,1067 7.794,1068 21.095,1069 10.102,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.65,1076 8.548,1077 23.65,1078 11.155,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.216,1085 9.67,1086 26.264,1087 12.328,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.717,1094 10.509,1095 28.857,1096 13.437,1097 2.327,1098 8.469,1099 24.702,1100 4.484,1101 15.369,1102 19.267,1103 11.563,1104 31.47,1105 14.595,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.793,1112 12.452,1113 34.077,1114 15.73,1115 1.619,1116 6.019,1117 28.717,1118 3.234,1119 17.835,1120 22.34,1121 13.468,1122 36.692,1123 16.886,1124 1.545,1125 4.396,1126 30.733,1127 2.875,1128 19.073,1129 23.879,1130 14.386,1131 39.306,1132 18.034,1133 7443,1134 14579,1135 17.8,1136 27.75,1137 43.274,1138 45.029,1139 44.82,1140 42.701,1141 42.682,1142 60.896,1143 5.225,1144 129.114,1145 41.436,1146 5.762,1147 6.741,1148 7.38,1149 5.523,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.422,1156 1.545,1157 1.608,1158 1.601,1159 1.525,1160 1.524,1161 2.175,1162 0.187,1163 4.611,1164 1.48,1165 4.129,1166 4.128,1167 4.742,1168 4.084,1169 7.815,1170 4.022,1171 4.056,1172 4.062,1173 4.046,1174 3.963,1175 7.715,1176 3.965,1177 3.787,1178 3.787,1179 3.881,1180 3.613,1181 6.999,1182 3.565,1183 3.496,1184 3.539,1185 3.442,1186 3.247,1187 6.999,1188 3.265,1189 3.392,1190 3.411,1191 3.358,1192 3.148,1193 5.271,1194 3.187,1195 3.147,1196 3.201,1197 3.073,1198 2.906,1199 4.65,1200 2.903,1201 3.006,1202 3.082,1203 2.81,1204 2.799,1205 4.581,1206 2.791,1207 2.966,1208 3.044,1209 2.8,1210 2.678,1211 4.474,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.021,1234 2.11,1235 1.234,1236 2.108,1237 1.923,1238 1.901,1239 2.015,1240 1.995,1241 1.129,1242 2.002,1243 1.58,1244 1.577,1245 1.663,1246 1.852,1247 0.786,1248 1.826,1249 1.352,1250 1.337,1251 1.565,1252 1.694,1253 0.612,1254 1.634,1255 1.295,1256 1.252,1257 1.453,1258 1.562,1259 0.474,1260 1.529,1261 1.069,1262 0.998,1263 1.162,1264 1.326,1265 0.42,1266 1.374,1267 0.961,1268 0.909,1269 1.148,1270 1.25,1271 0.196,1272 1.259,1273 0.907,1274 0.84,1275 1.073,1276 1.192,1277 0.089,1278 1.177,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.792,1300 0.732,1305 27.481,1306 75.965,1307 149.716,1308 177.716,1309 197.367,1310 199.367,1311 199.367,1312 65.602,1313 7.037,1314 121.59,1315 129.97,1316 17,1317 12.557,1318 4.459,1319 3.807,1320 44.373,1321 96,1322 88,1323 0.226,1324 174.01,1325 298.28,1326 416.346,1327 10404,1329 18.897,1330 0.727,1331 0.564,1332 19.147,1333 14.674,1334 12.303,1335 0.439,1336 0.317,1337 7.401,1338 10.805,1339 7.074,1340 5.912,1341 13.091,1342 8.869,1343 11.747,1344 0.287,1345 0.18,1346 13.089,1347 7.373,1348 9.857,1349 0.183,1350 0.103,1351 11.243,1352 5.543,1353 7.415,1354 0.114,1355 0.054,1356 8.461,1357 3.521,1358 5.638,1359 0.074,1360 0.03,1361 6.475,1362 2.262,1363 0.353,1364 87.055,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 542.119,1370 197.994,1371 533.631,1372 709.3,1373 486,1374 164,1375 504.067,1376 232.42,1377 534.587,1378 770.51,1379 497,1380 5.301}
{0 CHEMBL392071,1 1.834,2 10.269,3 3.801,4 14.448,5 97.824,6 9.108,7 0.571,8 3.847,9 3.922,10 3.733,11 3.422,12 5.086,13 3.404,14 4.346,15 4.461,16 4.047,17 3.787,18 5.853,19 3.773,20 4.519,21 4.64,22 4.116,23 3.913,24 5.923,25 3.876,26 4.676,27 4.82,28 4.021,29 3.851,30 6.076,31 3.814,32 4.589,33 4.775,34 3.939,35 3.682,36 5.91,37 3.652,38 4.459,39 4.616,40 3.918,41 3.618,42 6.175,43 3.602,44 4.496,45 4.691,46 3.704,47 3.583,48 5.909,49 3.533,50 4.232,51 4.4,52 3.488,53 3.488,54 5.556,55 3.431,56 0.217,57 0.627,58 8.023,59 3.989,60 17.224,61 3.941,62 0.549,63 0.954,64 13.335,65 6.166,66 78.992,67 6.478,68 0.477,69 1.143,70 19.255,71 8.196,72 44.102,73 7.926,74 0.823,75 1.212,76 26.62,77 9.125,78 109.567,79 8.45,80 0.875,81 1.106,82 24.59,83 7.592,84 118.915,85 7.678,86 0.868,87 0.99,88 18.367,89 6.413,90 139.468,91 6.693,92 0.915,93 0.928,94 22.378,95 7.288,96 107.874,97 7.885,98 0.478,99 0.735,100 16.353,101 6.259,102 68.272,103 6.556,104 38,105 41,106 0.316,107 0.638,108 0.775,109 0.857,110 0.866,111 0.866,112 3.304,113 0.963,114 -4,115 -3.95,116 -3.75,119 41.5,120 1,124 1,142 7,143 3,144 2,151 1,152 1,155 1,166 3,172 8,174 4,175 6,183 9,186 2,187 15,195 7,198 1,199 14,207 1,211 4,212 13,223 7,224 8,232 2,236 4,237 3,245 4,250 7,258 5,263 7,271 7,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.286,282 10.915,283 9.631,284 17.113,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 9.723,291 8.46,292 4.479,293 14.114,294 3.523,295 1.651,296 0.858,297 0.378,298 0.33,299 0.33,300 3.976,303 1,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 44.263,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 58.5,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.255,341 4.531,342 3.775,343 6.526,344 4.059,345 3.061,346 4.484,348 10.265,349 3.056,350 4.235,351 3.08,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.765,360 2.648,361 5.731,362 3.308,363 2.327,364 3.234,366 7.143,367 2.28,368 3.504,369 2.291,370 5.134,371 3.037,372 2.046,373 2.875,375 6.019,376 2.026,377 3.047,378 1.934,379 4.694,380 2.579,381 1.619,382 2.319,384 4.396,385 1.549,386 3.011,387 1.899,388 4.19,389 2.545,390 1.545,391 2.111,393 3.739,394 1.539,395 2.914,396 1.546,397 3.917,398 2.235,399 1.236,400 2.012,402 3.045,403 1.234,404 2.678,405 1.354,406 3.769,407 2.19,408 1.196,409 1.744,411 2.846,412 1.187,413 2.585,414 1.106,415 3.587,416 2.058,417 1.063,418 1.585,420 2.705,421 1.056,422 2.154,423 1,424 3.245,425 1.687,426 0.701,427 0.986,428 1.614,429 0.69,430 1.824,431 0.89,432 3.011,433 1.206,434 0.255,435 0.378,436 0.586,437 0.242,438 1.251,439 0.513,440 2.745,441 0.88,442 -0.101,443 -0.13,445 -0.235,446 -0.099,447 1,448 0.402,449 2.312,450 0.289,451 -0.697,452 -0.851,454 -1.675,455 -0.686,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -1.158,463 -2,464 -0.777,465 12.2,466 0.469,467 0.869,468 0.033,469 37.75,470 1.452,471 21.5,472 0.827,473 16.25,474 0.625,475 17.635,476 0.678,477 28,478 0.683,479 30.721,480 1.182,481 7.576,482 0.291,483 4.726,484 0.182,485 0.191,486 0.068,487 0.311,493 0.398,494 1.158,495 0.737,496 1.212,497 0.581,498 0.92,499 0.624,500 0.978,501 0.7,502 0.845,503 0.496,504 0.774,505 0.854,506 1.259,507 1.225,508 1.314,509 0.679,510 1.089,511 1.388,512 1.294,513 1.438,514 1.306,515 1.379,516 1.181,517 1.226,518 0.989,519 1.054,520 0.922,521 1.423,522 0.924,523 0.791,524 1.009,525 0.979,526 1.018,527 0.736,528 1.035,529 1.124,530 0.683,531 0.978,532 0.734,533 1.12,534 0.855,535 1.116,536 0.84,537 1.081,538 0.979,539 1.191,540 0.99,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 27309,553 1.983,554 36.6,555 3,556 10,557 1,558 1,564 1.691,565 1.803,566 3.328,567 -0.646,569 1,573 75.205,574 1.834,575 3.707,576 4.5,577 4.979,578 5.028,579 5.028,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,588 1,590 1,591 219.66,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.33,606 1,607 0.85,608 126.848,609 0.23,610 0.012,611 0.22,612 -0.08,613 -0.081,614 -0.01,615 0.195,616 0.1,617 0.177,618 0.149,619 0.235,620 0.143,621 -0.055,622 -0.155,623 -0.139,624 -0.184,625 0.062,626 -0.142,627 -0.281,628 -0.293,629 -0.296,630 -0.223,631 -0.209,632 -0.227,633 -0.133,634 0.017,635 0.02,636 0.043,637 -0.247,638 0.034,639 0.268,640 0.04,641 0.002,642 -0.083,643 0.381,644 -0.129,645 0.003,646 0.227,647 0.033,648 0.201,649 -0.025,650 0.15,651 -0.176,652 0.065,653 -0.106,654 0.03,655 -0.139,656 0.042,657 4.948,658 5.717,659 0.577,660 20.982,661 1.032,662 1.121,663 2.771,664 7.677,665 0.695,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.683,678 373.42,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 7.3,692 1,698 1,700 1,703 2,704 8,707 1,709 4,711 16,725 1,731 41,733 21,734 2,735 28,737 43,738 17,739 14,740 5,741 7,742 1,746 3,747 4,752 1,761 15,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,780 1,781 15,782 7,784 9,785 1,790 3,794 0.667,795 5,811 1,812 2,815 1,840 2,842 1,844 2,848 26,852 1,859 1,870 12.2,873 2,875 1,876 2,877 14.417,878 8.1,879 5.611,880 2.2,881 3.791,882 1.539,883 0.977,884 4.81,885 10.828,886 3.738,887 4.428,888 5.006,889 5.565,890 6.046,891 6.374,892 6.656,893 6.942,894 6.904,895 7.237,896 0.857,897 43,898 9.912,900 4.621,901 8.247,902 17.508,904 14.257,905 2.747,906 71.417,909 1,910 176.567,911 128.237,912 23.729,914 104.567,916 5.807,917 122.43,918 281.134,919 23.729,920 22.892,922 83.881,923 65.131,924 40.818,925 16.607,926 153.024,927 50.747,928 176.567,929 146.159,930 104.567,931 5.807,933 176.567,934 53.82,935 50.747,937 26.884,938 104.557,939 20.525,941 176.567,942 128.296,943 128.237,945 5.807,946 176.567,947 18.088,948 111.408,950 121.23,951 176.567,952 128.296,953 128.237,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.116,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,973 1,974 18.113,975 6.904,976 3.504,977 1.461,978 122.626,979 12.452,982 5.379,984 0.556,987 433.1,988 41,990 -0.64,991 -4.032,993 47.282,995 1.371,996 3.971,999 42.32,1000 45.953,1001 0.342,1002 0.692,1003 0.84,1004 0.929,1005 0.938,1006 0.938,1007 4.984,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.115,1013 2.501,1014 6.739,1015 4.362,1016 6.263,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.159,1025 7.638,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.519,1031 4.154,1032 11.135,1033 6,1034 9.06,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.504,1040 4.506,1041 13.296,1042 6.594,1043 10.518,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.275,1049 5.948,1050 16.011,1051 7.979,1052 12.003,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.587,1058 6.556,1059 18.464,1060 8.899,1061 13.508,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.205,1067 7.794,1068 21.095,1069 10.128,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.65,1076 8.548,1077 23.65,1078 11.182,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.216,1085 9.67,1086 26.264,1087 12.358,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.717,1094 10.509,1095 28.857,1096 13.469,1097 2.327,1098 8.469,1099 24.702,1100 4.484,1101 15.369,1102 19.267,1103 11.563,1104 31.47,1105 14.629,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.793,1112 12.452,1113 34.077,1114 15.766,1115 1.619,1116 6.019,1117 28.717,1118 3.234,1119 17.835,1120 22.34,1121 13.468,1122 36.692,1123 16.922,1124 1.545,1125 4.396,1126 30.733,1127 2.875,1128 19.073,1129 23.879,1130 14.386,1131 39.306,1132 18.071,1133 7443,1134 14308,1135 17.8,1136 28.506,1137 43.274,1138 45.029,1139 44.82,1140 42.708,1141 42.682,1142 60.896,1143 5.225,1144 129.114,1145 41.597,1146 5.762,1147 6.741,1148 7.38,1149 5.522,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.255,1155 15.422,1156 1.545,1157 1.608,1158 1.601,1159 1.525,1160 1.524,1161 2.175,1162 0.187,1163 4.611,1164 1.486,1165 4.136,1166 4.134,1167 4.742,1168 4.087,1169 7.815,1170 4.037,1171 4.069,1172 4.066,1173 4.06,1174 3.995,1175 7.715,1176 3.981,1177 3.788,1178 3.787,1179 3.881,1180 3.613,1181 6.999,1182 3.566,1183 3.497,1184 3.541,1185 3.442,1186 3.319,1187 6.999,1188 3.317,1189 3.411,1190 3.437,1191 3.363,1192 3.15,1193 5.155,1194 3.195,1195 3.163,1196 3.208,1197 3.095,1198 2.923,1199 4.652,1200 2.922,1201 3.006,1202 3.082,1203 2.821,1204 2.797,1205 4.585,1206 2.792,1207 2.984,1208 3.047,1209 2.8,1210 2.678,1211 4.397,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.255,1231 1.992,1232 1.997,1233 2.021,1234 2.11,1235 1.234,1236 2.108,1237 1.922,1238 1.904,1239 2.014,1240 1.999,1241 1.134,1242 2.003,1243 1.595,1244 1.586,1245 1.684,1246 1.855,1247 0.79,1248 1.83,1249 1.438,1250 1.438,1251 1.565,1252 1.701,1253 0.624,1254 1.647,1255 1.312,1256 1.259,1257 1.556,1258 1.591,1259 0.611,1260 1.587,1261 1.077,1262 1.019,1263 1.18,1264 1.328,1265 0.421,1266 1.376,1267 0.974,1268 0.939,1269 1.148,1270 1.25,1271 0.192,1272 1.259,1273 0.907,1274 0.84,1275 1.073,1276 1.226,1277 0.09,1278 1.21,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.837,1300 0.779,1305 27.986,1306 75.205,1307 151.969,1308 184.498,1309 204.15,1310 206.15,1311 206.15,1312 65.092,1313 7.037,1314 108.7,1315 117.08,1316 17,1317 12.557,1318 4.459,1319 3.807,1320 44.373,1321 96,1322 88,1323 0.226,1324 176.809,1325 304.58,1326 423.173,1327 10404,1329 18.897,1330 0.727,1331 0.569,1332 19.147,1333 14.804,1334 12.303,1335 0.439,1336 0.321,1337 7.529,1338 10.867,1339 7.186,1340 6.005,1341 13.091,1342 8.987,1343 11.747,1344 0.287,1345 0.183,1346 13.089,1347 7.496,1348 9.857,1349 0.183,1350 0.105,1351 11.243,1352 5.664,1353 7.415,1354 0.114,1355 0.056,1356 8.461,1357 3.627,1358 5.638,1359 0.074,1360 0.031,1361 6.475,1362 2.346,1363 0.353,1364 86.6,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 522.473,1370 196.273,1371 515.491,1372 684.54,1373 470,1374 164,1375 478.407,1376 230.2,1377 513.229,1378 741.83,1379 477,1380 5}
{0 CHEMBL393525,1 2.018,2 10.37,3 3.84,4 14.743,5 104.951,6 11.032,7 0.552,8 3.855,9 3.94,10 3.882,11 3.44,12 5.093,13 3.417,14 4.356,15 4.483,16 4.259,17 3.818,18 5.87,19 3.796,20 4.532,21 4.656,22 4.338,23 3.964,24 5.946,25 3.912,26 4.677,27 4.826,28 4.238,29 3.919,30 6.081,31 3.861,32 4.596,33 4.777,34 4.285,35 3.748,36 5.937,37 3.711,38 4.475,39 4.632,40 4.079,41 3.649,42 6.201,43 3.619,44 4.491,45 4.7,46 3.87,47 3.6,48 5.893,49 3.546,50 4.243,51 4.413,52 4.043,53 3.566,54 5.553,55 3.479,56 0.225,57 0.675,58 3.958,59 3.726,60 18.367,61 3.469,62 0.577,63 1.03,64 9.394,65 5.896,66 79.945,67 5.83,68 0.549,69 1.206,70 23.757,71 8.272,72 44.353,73 7.197,74 0.841,75 1.246,76 26.213,77 9.739,78 111.86,79 8.13,80 0.902,81 1.107,82 23.394,83 8.195,84 123.584,85 7.354,86 0.967,87 1.016,88 23.021,89 6.586,90 134.923,91 6.17,92 0.823,93 0.956,94 21.768,95 7.312,96 104.859,97 7.677,98 0.534,99 0.767,100 24.013,101 6.86,102 74.991,103 6.172,104 51,105 43,106 0.348,107 0.691,108 0.817,109 0.866,110 0.866,111 0.866,112 3.34,113 1.018,114 -4.07,115 -4.02,116 -3.8,117 1,119 39,120 1,124 1,142 5,143 1,144 3,145 1,151 1,152 1,155 1,161 1,166 3,172 4,174 5,175 4,183 5,186 3,187 14,195 4,198 2,199 11,211 4,212 10,223 9,224 6,236 4,237 4,250 6,262 1,263 7,271 2,275 1083,276 17.341,277 17.341,278 17.341,279 17.341,280 17.341,281 14.708,282 12.559,283 9.769,284 17.882,285 14.219,286 14.219,287 14.219,288 14.219,289 14.219,290 10.136,291 9.136,292 4.562,293 15.208,294 3.339,295 1.344,296 0.613,297 0.33,298 0.33,299 0.33,300 4.011,304 1,305 1,306 591,307 4.183,310 64.287,311 174.415,314 119.432,318 1.542,319 44.474,322 1,323 0.67,324 1,325 0.4,327 1,328 1,329 0.72,330 60.25,331 280,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.554,342 3.775,343 6.543,344 4.013,345 3.086,346 4.512,348 10.344,349 2.857,350 4.235,351 3.154,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.684,359 3.767,360 2.741,361 5.731,362 3.31,363 2.335,364 3.236,366 7.144,367 2.279,368 3.66,369 2.631,370 5.168,371 3.154,372 2.254,373 3.093,375 6.226,376 2.016,377 3.402,378 2.263,379 4.95,380 2.867,381 1.949,382 2.742,384 5.706,385 1.673,386 3.011,387 1.915,388 4.694,389 2.567,390 1.615,391 2.119,393 4.398,394 1.525,395 2.914,396 1.89,397 4.14,398 2.235,399 1.255,400 2.012,402 3.421,403 1.234,404 2.71,405 1.375,406 3.911,407 2.191,408 1.234,409 1.799,411 3.006,412 1.168,413 2.622,414 1.189,415 3.768,416 2.061,417 1.079,418 1.628,420 2.792,421 1.054,422 2.215,423 1,424 3.306,425 1.715,426 0.78,427 1.083,428 1.819,429 0.71,430 1.865,431 0.942,432 3.1,433 1.229,434 0.31,435 0.451,436 0.72,437 0.276,438 1.251,439 0.679,440 2.765,441 0.88,442 -0.101,443 -0.129,445 -0.233,446 -0.098,447 1.01,448 0.413,449 2.376,450 0.455,451 -0.346,452 -0.438,454 -0.805,455 -0.198,456 1,457 0.149,458 2.342,459 0.156,460 -0.816,461 -1.01,463 -2,464 -0.75,465 13.5,466 0.5,467 0.976,468 0.036,469 39,470 1.444,471 21.5,472 0.796,473 17.5,474 0.648,475 20.842,476 0.772,477 28.5,478 0.695,479 30.64,480 1.135,481 7.47,482 0.277,483 5.226,484 0.194,485 0.272,486 0.062,487 0.311,493 0.381,494 1.337,495 0.523,496 1.044,497 0.582,498 0.871,499 0.589,500 1.056,501 0.577,502 0.71,503 0.482,504 0.696,505 0.887,506 1.206,507 1.096,508 1.257,509 0.69,510 1.092,511 1.396,512 1.176,513 0.874,514 1.166,515 1.399,516 1.155,517 1.284,518 1.007,519 0.735,520 0.875,521 1.432,522 0.877,523 0.817,524 0.997,525 0.923,526 1.004,527 0.734,528 1.076,529 1.077,530 0.772,531 0.428,532 0.689,533 1.136,534 0.853,535 1.19,536 0.898,537 0.581,538 0.723,539 1.226,540 0.876,541 7.5,542 0.153,543 4.889,544 2.542,545 1.804,546 1.316,547 0.651,548 0.441,549 0.295,550 0.215,551 8332,552 33538,553 1.963,554 34.1,555 3,556 8,557 1,558 2,564 1.701,565 1.77,566 3.359,567 -0.586,569 1,573 82.747,574 2.018,575 4.013,576 4.745,577 5.028,578 5.028,579 5.028,580 2.745,581 4.459,582 4.73,583 3.53,584 1239,585 8.21,586 15862,588 1,591 219.66,592 1.74,593 4.637,594 0.259,595 0.008,596 0.114,597 0.056,598 0.046,599 0.038,600 0.02,601 0.016,602 0.011,603 0.009,604 0.576,605 0.33,606 1,607 0.857,608 133.558,609 0.228,610 -0.139,611 0.042,612 -0.101,613 -0.083,614 -0.038,615 0.209,616 0.053,617 0.058,618 0.163,619 0.247,620 0.167,621 -0.089,622 -0.085,623 -0.146,624 -0.199,625 0.047,626 -0.181,627 -0.311,628 -0.184,629 -0.116,630 -0.16,631 -0.225,632 -0.204,633 -0.143,634 -0.05,635 0.063,636 0.069,637 -0.246,638 0.094,639 0.304,640 0.035,641 -0.099,642 -0.099,643 0.386,644 -0.188,645 -0.019,646 0.135,647 0.073,648 0.148,649 -0.038,650 0.158,651 -0.203,652 0.009,653 0.162,654 0.222,655 -0.165,656 0.144,657 4.965,658 5.765,659 0.556,660 22.189,661 1.038,662 1.126,663 2.839,664 8.061,665 0.723,666 3.401,667 3.784,668 4.043,669 4.234,670 4.419,671 4.454,672 4.431,673 4.466,674 4.357,675 4.357,676 6.342,677 0.703,678 452.32,679 3.401,680 4.977,681 5.838,682 6.735,683 7.617,684 8.515,685 9.403,686 10.302,687 11.192,688 12.091,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 7,705 1,709 5,711 16,725 1,730 1,731 41,733 21,734 1,735 29,736 1,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 14,782 7,784 11,785 2,787 1,790 5,794 0.667,795 4,805 1,811 1,812 2,815 1,840 2,842 1,843 1,844 2,848 27,852 1,859 1,869 1,870 9.8,873 2,876 2,877 15.25,878 8.143,879 5.778,880 2.158,881 3.804,882 1.532,883 0.983,884 5.333,885 10.952,886 3.761,887 4.463,888 5.036,889 5.603,890 6.112,891 6.46,892 6.73,893 7.037,894 7.041,895 7.304,896 0.857,897 45,898 10.272,900 4.764,901 8.228,902 18.154,904 14.731,905 2.728,906 73.667,909 1,910 164.795,911 112.573,912 87.755,914 95.06,916 5.807,917 152.719,918 259.855,919 41.801,920 22.892,922 62.236,923 95.403,924 38.941,925 14.528,926 129.482,927 96.701,928 164.795,929 148.566,930 95.06,931 5.807,932 45.954,933 164.795,934 44.313,935 50.747,937 38.933,938 78.13,939 37.31,940 45.954,941 164.795,942 136.861,943 158.527,945 5.807,946 164.795,947 15.02,948 100.098,949 45.954,950 128.508,951 164.795,952 136.861,953 158.527,955 0.605,956 0.357,957 0.172,958 0.094,959 21,960 11,961 0.116,962 5,963 1,964 1.133,965 3.707,966 229.671,967 0.133,968 15,969 124.382,973 1,974 19.488,975 7.389,976 3.88,977 0.68,978 129.904,979 10.66,980 4.211,984 1.321,987 460.183,988 42,990 -0.641,991 -4.048,993 47.426,995 1.358,996 3.984,999 42.542,1000 46.167,1001 0.377,1002 0.749,1003 0.886,1004 0.938,1005 0.938,1006 0.938,1007 5.017,1008 1.255,1009 5.894,1010 4.398,1011 4.466,1012 5.15,1013 2.501,1014 6.79,1015 4.337,1016 6.304,1017 1.234,1018 7.53,1019 3.421,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.134,1025 7.683,1026 1.079,1027 9.281,1028 3.006,1029 6.196,1030 7.558,1031 4.154,1032 11.164,1033 5.932,1034 9.105,1035 0.78,1036 11.103,1037 2.792,1038 6.889,1039 8.547,1040 4.506,1041 13.309,1042 6.513,1043 10.562,1044 0.31,1045 12.973,1046 1.819,1047 8.288,1048 10.307,1049 5.948,1050 16.024,1051 7.869,1052 12.044,1053 -0.101,1054 14.878,1055 0.72,1056 9.301,1057 11.618,1058 6.556,1059 18.471,1060 8.775,1061 13.545,1062 -0.346,1063 16.81,1064 -0.233,1065 10.572,1066 13.231,1067 7.794,1068 21.102,1069 9.984,1070 3.535,1071 -0.816,1072 18.763,1073 -0.805,1074 11.716,1075 14.676,1076 8.548,1077 23.655,1078 11.028,1079 3.086,1080 13.729,1081 20.733,1082 -2,1083 12.954,1084 16.24,1085 9.67,1086 26.269,1087 12.191,1088 2.756,1089 10.344,1090 22.716,1091 4.803,1092 14.153,1093 17.741,1094 10.509,1095 28.86,1096 13.295,1097 2.335,1098 8.469,1099 24.71,1100 4.512,1101 15.387,1102 19.291,1103 11.563,1104 31.473,1105 14.447,1106 2.254,1107 7.144,1108 26.712,1109 3.917,1110 16.612,1111 20.818,1112 12.452,1113 34.08,1114 15.58,1115 1.949,1116 6.226,1117 28.722,1118 3.236,1119 17.85,1120 22.365,1121 13.468,1122 36.694,1123 16.733,1124 1.615,1125 5.706,1126 30.737,1127 3.093,1128 19.088,1129 23.904,1130 14.386,1131 39.308,1132 17.882,1133 8210,1134 16645,1135 18.205,1136 29.654,1137 45.071,1138 46.977,1139 46.951,1140 44.561,1141 44.378,1142 62.792,1143 5.225,1144 135.551,1145 41.462,1146 5.762,1147 6.741,1148 7.08,1149 5.529,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.304,1156 1.554,1157 1.62,1158 1.619,1159 1.537,1160 1.53,1161 2.165,1162 0.18,1163 4.674,1164 1.43,1165 4.143,1166 4.174,1167 6.88,1168 4.085,1169 7.815,1170 4.024,1171 4.078,1172 4.083,1173 4.742,1174 3.963,1175 7.715,1176 3.966,1177 3.788,1178 3.787,1179 4.045,1180 3.614,1181 6.999,1182 3.567,1183 3.498,1184 3.541,1185 3.881,1186 3.37,1187 6.999,1188 3.344,1189 3.412,1190 3.437,1191 3.44,1192 3.151,1193 5.072,1194 3.196,1195 3.158,1196 3.21,1197 3.302,1198 2.958,1199 4.65,1200 2.942,1201 3.006,1202 3.083,1203 3.02,1204 2.838,1205 4.58,1206 2.807,1207 2.977,1208 3.053,1209 2.8,1210 2.678,1211 4.312,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.11,1235 1.234,1236 2.108,1237 1.895,1238 1.859,1239 1.943,1240 2.042,1241 1.087,1242 2.024,1243 1.598,1244 1.585,1245 1.683,1246 1.851,1247 0.791,1248 1.828,1249 1.444,1250 1.425,1251 1.565,1252 1.696,1253 0.625,1254 1.647,1255 1.312,1256 1.258,1257 1.56,1258 1.582,1259 0.611,1260 1.588,1261 1.079,1262 1.017,1263 1.151,1264 1.326,1265 0.421,1266 1.376,1267 0.976,1268 0.926,1269 1.119,1270 1.25,1271 0.159,1272 1.259,1273 0.907,1274 0.84,1275 1.061,1276 1.169,1277 0.086,1278 1.169,1279 4.078,1281 5.442,1282 2.398,1283 6.995,1284 4.727,1285 8.632,1286 6.823,1287 10.314,1288 3.366,1289 2.833,1300 0.774,1305 28.813,1306 82.747,1307 164.54,1308 194.54,1309 206.15,1310 206.15,1311 206.15,1312 67.517,1313 7.148,1314 112.86,1315 121.24,1316 17,1317 12.615,1318 4.459,1319 3.807,1320 47.025,1321 103,1322 90,1323 0.223,1324 188.722,1325 319.77,1326 452.243,1327 11922,1328 2.4,1329 19.767,1330 0.732,1331 0.618,1332 21.017,1333 16.677,1334 12.696,1335 0.438,1336 0.339,1337 7.626,1338 10.664,1339 7.236,1340 6.026,1341 14.062,1342 9.838,1343 12.38,1344 0.288,1345 0.197,1346 14.539,1347 8.483,1348 10.199,1349 0.182,1350 0.109,1351 12.11,1352 6.114,1353 7.623,1354 0.112,1355 0.058,1356 9.108,1357 3.932,1358 5.988,1359 0.073,1360 0.033,1361 7.424,1362 2.678,1363 0.35,1364 97.418,1365 0.234,1366 25.795,1367 0.615,1368 144,1369 542.683,1370 269.125,1371 575.598,1372 755.7,1373 524,1374 171,1375 506.115,1376 267.803,1377 553.974,1378 801.66,1379 515,1380 8.108}
{0 CHEMBL393526,1 1.889,2 10.269,3 3.091,4 9.556,5 97.328,6 9.108,7 0.571,8 3.85,9 3.943,10 3.737,11 3.396,12 5.085,13 3.383,14 4.35,15 4.487,16 4.054,17 3.757,18 5.856,19 3.748,20 4.523,21 4.664,22 4.115,23 3.903,24 5.925,25 3.866,26 4.67,27 4.827,28 4.02,29 3.851,30 6.066,31 3.808,32 4.591,33 4.788,34 3.954,35 3.631,36 5.914,37 3.624,38 4.455,39 4.63,40 3.915,41 3.57,42 6.213,43 3.564,44 4.432,45 4.63,46 3.688,47 3.583,48 5.797,49 3.524,50 4.299,51 4.495,52 3.503,53 3.455,54 5.624,55 3.408,56 0.215,57 0.684,58 8.063,59 3.693,60 16.421,61 3.815,62 0.55,63 1.034,64 13.444,65 5.59,66 76.858,67 6.201,68 0.504,69 1.207,70 19.607,71 7.669,72 41.754,73 7.657,74 0.756,75 1.229,76 26.172,77 8.824,78 103.966,79 8.625,80 0.853,81 1.089,82 25.464,83 6.769,84 120.97,85 7.315,86 1.015,87 0.984,88 17.156,89 5.17,90 141.193,91 5.725,92 0.617,93 0.914,94 20.557,95 6.912,96 76.623,97 7.741,98 0.57,99 0.789,100 18.633,101 6.019,102 82.217,103 6.532,104 38,105 41,106 0.325,107 0.656,108 0.801,109 0.866,110 0.866,111 0.866,112 3.304,113 0.958,114 -3.44,115 -3.42,116 -3.27,119 39,120 1,124 1,142 6,143 1,144 2,145 1,151 1,152 1,155 1,161 1,166 3,172 5,174 5,175 4,183 5,186 4,187 13,195 3,198 2,199 13,211 3,212 10,223 11,224 6,236 2,237 5,250 8,262 2,263 4,271 4,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.286,282 10.915,283 9.631,284 17.275,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 9.723,291 8.46,292 4.479,293 14.399,294 3.469,295 1.55,296 0.708,297 0.33,298 0.33,299 0.33,300 3.976,303 1,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 42.801,321 1,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 58.5,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.531,342 3.775,343 6.526,344 3.992,345 3.061,346 4.484,348 10.265,349 2.852,350 4.235,351 3.08,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.684,359 3.765,360 2.648,361 5.731,362 3.308,363 2.327,364 3.234,366 7.143,367 2.279,368 3.504,369 2.291,370 5.134,371 3.012,372 2.046,373 2.875,375 6.019,376 1.971,377 3.047,378 1.934,379 4.694,380 2.573,381 1.619,382 2.319,384 4.396,385 1.535,386 3.011,387 1.899,388 4.19,389 2.516,390 1.545,391 2.111,393 3.739,394 1.498,395 2.914,396 1.546,397 3.917,398 2.234,399 1.236,400 2.012,402 3.045,403 1.234,404 2.678,405 1.354,406 3.769,407 2.157,408 1.196,409 1.744,411 2.846,412 1.146,413 2.585,414 1.106,415 3.587,416 2.04,417 1.063,418 1.585,420 2.705,421 1.036,422 2.154,423 1,424 3.245,425 1.648,426 0.701,427 0.986,428 1.614,429 0.662,430 1.824,431 0.89,432 3.011,433 1.19,434 0.255,435 0.378,436 0.586,437 0.238,438 1.251,439 0.513,440 2.745,441 0.879,442 -0.101,443 -0.13,445 -0.235,446 -0.099,447 1,448 0.402,449 2.312,450 0.264,451 -0.697,452 -0.851,454 -1.675,455 -0.669,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -1.158,463 -2,464 -0.777,465 12.167,466 0.468,467 0.869,468 0.033,469 38.5,470 1.481,471 21.5,472 0.827,473 17,474 0.654,475 17.264,476 0.664,477 28.033,478 0.684,479 31.092,480 1.196,481 7.67,482 0.295,483 4.633,484 0.178,485 0.192,486 0.068,487 0.304,493 0.367,494 1.37,495 0.737,496 1.266,497 0.577,498 0.952,499 0.574,500 1.096,501 0.698,502 0.852,503 0.484,504 0.78,505 0.847,506 1.109,507 1.241,508 1.246,509 0.674,510 1.041,511 1.36,512 1.253,513 1.419,514 1.366,515 1.376,516 1.223,517 1.341,518 1.106,519 1.028,520 1.007,521 1.449,522 0.926,523 0.827,524 0.771,525 0.936,526 0.701,527 0.718,528 0.886,529 1.072,530 0.946,531 1.062,532 1.017,533 1.057,534 1.016,535 1.317,536 0.904,537 1.084,538 0.9,539 1.312,540 0.917,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 27097,553 1.983,554 36.6,555 3,556 9,557 1,558 2,564 1.691,565 1.803,566 3.328,567 -0.608,568 1,569 1,573 77.447,574 1.889,575 3.808,576 4.65,577 5.028,578 5.028,579 5.028,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,587 1,588 1,590 1,591 219.66,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.33,606 1,607 0.85,608 126.848,609 0.244,610 -0.149,611 0.223,612 -0.123,613 -0.082,614 -0.04,615 0.231,616 0.02,617 0.182,618 0.132,619 0.242,620 0.127,621 -0.048,622 0.025,623 -0.151,624 -0.109,625 0.065,626 -0.096,627 -0.265,628 -0.266,629 -0.283,630 -0.263,631 -0.204,632 -0.252,633 -0.171,634 -0.159,635 0.061,636 -0.04,637 -0.258,638 0.032,639 0.367,640 0.276,641 -0.007,642 0.149,643 0.43,644 -0.041,645 -0.079,646 -0.029,647 -0.023,648 -0.012,649 -0.034,650 0.012,651 -0.255,652 -0.017,653 -0.073,654 0.087,655 -0.176,656 0.11,657 4.955,658 5.713,659 0.577,660 20.982,661 1.032,662 1.13,663 2.208,664 4.877,665 0.69,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.678,678 373.43,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 12.2,692 1,697 1,698 1,699 1,700 1,703 1,704 8,705 1,709 4,711 16,725 1,731 41,733 21,734 1,735 28,737 43,738 16,739 13,740 3,741 3,742 1,746 3,747 4,752 1,761 14,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 15,782 7,784 10,785 1,787 1,790 5,794 0.667,795 4,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 26,852 1,859 1,870 9.8,873 2,876 2,877 14.417,878 8.083,879 5.611,880 2.178,881 3.791,882 1.539,883 0.979,884 4.766,885 10.828,886 3.738,887 4.428,888 5.006,889 5.565,890 6.046,891 6.374,892 6.656,893 6.942,894 6.904,895 7.237,896 0.857,897 43,898 9.903,900 4.604,901 8.24,902 17.484,904 14.169,905 2.74,906 71.25,909 1,910 176.567,911 118.994,912 41.801,914 95.06,916 5.807,917 113.186,918 271.626,919 41.801,920 22.892,922 71.712,923 96.016,924 35.886,925 13.915,926 141.253,927 50.747,928 176.567,929 154.988,930 95.06,931 5.807,933 176.567,934 44.313,935 50.747,937 39.546,938 83.938,939 37.31,941 176.567,942 136.861,943 118.994,945 5.807,946 176.567,947 11.965,948 109.574,950 128.508,951 176.567,952 136.861,953 118.994,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.116,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,973 1,974 18.05,975 6.865,976 3.48,977 0.842,978 129.904,979 12.639,980 4.18,984 0.382,987 432.421,988 41,990 -0.64,991 -4.038,993 47.273,995 1.317,996 3.948,999 42.313,1000 46.325,1001 0.353,1002 0.711,1003 0.868,1004 0.938,1005 0.938,1006 0.938,1007 4.984,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.115,1013 2.501,1014 6.739,1015 4.321,1016 6.263,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.105,1025 7.638,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.519,1031 4.154,1032 11.135,1033 5.917,1034 9.06,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.504,1040 4.506,1041 13.296,1042 6.497,1043 10.518,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.275,1049 5.948,1050 16.011,1051 7.859,1052 12.003,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.587,1058 6.556,1059 18.464,1060 8.766,1061 13.508,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.205,1067 7.794,1068 21.095,1069 9.977,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.65,1076 8.548,1077 23.65,1078 11.022,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.216,1085 9.67,1086 26.264,1087 12.185,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.717,1094 10.509,1095 28.857,1096 13.29,1097 2.327,1098 8.469,1099 24.702,1100 4.484,1101 15.369,1102 19.267,1103 11.563,1104 31.47,1105 14.442,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.793,1112 12.452,1113 34.077,1114 15.576,1115 1.619,1116 6.019,1117 28.717,1118 3.234,1119 17.835,1120 22.34,1121 13.468,1122 36.692,1123 16.729,1124 1.545,1125 4.396,1126 30.733,1127 2.875,1128 19.073,1129 23.879,1130 14.386,1131 39.306,1132 17.878,1133 7443,1134 14261,1135 17.8,1136 28.301,1137 43.274,1138 45.029,1139 44.82,1140 42.669,1141 42.682,1142 60.896,1143 5.225,1144 129.114,1145 40.777,1146 5.762,1147 6.741,1148 7.38,1149 5.529,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.422,1156 1.545,1157 1.608,1158 1.601,1159 1.524,1160 1.524,1161 2.175,1162 0.187,1163 4.611,1164 1.456,1165 4.143,1166 4.176,1167 4.742,1168 4.084,1169 7.815,1170 4.022,1171 4.078,1172 4.084,1173 4.078,1174 3.955,1175 7.715,1176 3.965,1177 3.788,1178 3.787,1179 3.881,1180 3.613,1181 6.999,1182 3.565,1183 3.495,1184 3.54,1185 3.442,1186 3.27,1187 6.999,1188 3.279,1189 3.39,1190 3.43,1191 3.351,1192 3.15,1193 5.071,1194 3.192,1195 3.164,1196 3.216,1197 3.088,1198 2.974,1199 4.649,1200 2.969,1201 3.011,1202 3.09,1203 2.836,1204 2.835,1205 4.579,1206 2.815,1207 3.001,1208 3.079,1209 2.8,1210 2.678,1211 4.314,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.111,1235 1.234,1236 2.108,1237 1.913,1238 1.873,1239 2.011,1240 2.061,1241 1.105,1242 2.047,1243 1.589,1244 1.581,1245 1.67,1246 1.852,1247 0.787,1248 1.828,1249 1.404,1250 1.372,1251 1.565,1252 1.693,1253 0.612,1254 1.64,1255 1.31,1256 1.257,1257 1.513,1258 1.571,1259 0.516,1260 1.57,1261 1.106,1262 1.059,1263 1.292,1264 1.327,1265 0.421,1266 1.377,1267 1.05,1268 0.973,1269 1.149,1270 1.252,1271 0.351,1272 1.272,1273 0.907,1274 0.84,1275 1.077,1276 1.249,1277 0.094,1278 1.258,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.83,1300 0.767,1305 27.787,1306 77.447,1307 156.111,1308 190.64,1309 206.15,1310 206.15,1311 206.15,1312 62.607,1313 7.037,1314 112.86,1315 121.24,1316 17,1317 12.557,1318 4.459,1319 3.807,1320 44.373,1321 96,1322 88,1323 0.226,1324 176.809,1325 300.49,1326 423.173,1327 10404,1329 18.897,1330 0.727,1331 0.569,1332 19.147,1333 14.79,1334 12.303,1335 0.439,1336 0.319,1337 7.478,1338 10.834,1339 7.144,1340 5.975,1341 13.091,1342 8.946,1343 11.747,1344 0.287,1345 0.181,1346 13.089,1347 7.421,1348 9.857,1349 0.183,1350 0.104,1351 11.243,1352 5.597,1353 7.415,1354 0.114,1355 0.055,1356 8.461,1357 3.578,1358 5.638,1359 0.074,1360 0.03,1361 6.475,1362 2.294,1363 0.353,1364 86.684,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 516.028,1370 197.254,1371 513.375,1372 684.31,1373 468,1374 164,1375 482.382,1376 231.459,1377 517.168,1378 747.86,1379 481,1380 5}
{0 CHEMBL393747,1 1.82,2 10.333,3 3.684,4 13.57,5 102.904,6 8.941,7 0.586,8 3.881,9 3.968,10 3.751,11 3.477,12 5.111,13 3.448,14 4.374,15 4.504,16 4.059,17 3.838,18 5.868,19 3.811,20 4.575,21 4.711,22 4.159,23 3.996,24 5.954,25 3.949,26 4.72,27 4.873,28 4.07,29 3.944,30 6.101,31 3.897,32 4.682,33 4.878,34 4.005,35 3.799,36 5.985,37 3.759,38 4.54,39 4.715,40 3.93,41 3.717,42 6.203,43 3.67,44 4.54,45 4.747,46 3.782,47 3.704,48 5.869,49 3.625,50 4.404,51 4.591,52 3.609,53 3.607,54 5.793,55 3.548,56 0.2,57 0.675,58 8.593,59 4.046,60 15.069,61 4.226,62 0.492,63 1.028,64 13.973,65 6.218,66 75.117,67 6.932,68 0.415,69 1.258,70 20.616,71 8.466,72 41.91,73 8.662,74 0.658,75 1.323,76 27.154,77 9.525,78 99.446,79 9.297,80 0.821,81 1.248,82 26.612,83 8.321,84 115.712,85 8.716,86 0.871,87 1.096,88 20.081,89 7.123,90 137.632,91 7.868,92 0.644,93 1.039,94 24.602,95 8.127,96 89.61,97 9.12,98 0.597,99 0.883,100 20.012,101 6.991,102 89.648,103 7.562,104 38,105 42,106 0.31,107 0.62,108 0.768,109 0.863,110 0.871,111 0.871,112 3.34,113 0.968,114 -4.17,115 -4.11,116 -3.89,119 41.9,120 1,124 1,142 8,143 3,144 2,145 1,146 1,155 1,166 3,172 9,174 4,175 6,183 10,186 2,187 17,195 8,199 15,207 3,211 4,212 13,220 1,223 8,224 10,232 2,236 2,237 3,245 6,249 2,250 5,258 7,263 8,271 8,275 1078,276 17.601,277 17.601,278 17.601,279 17.601,280 17.601,281 14.863,282 10.915,283 10.117,284 17.883,285 14.236,286 14.236,287 14.236,288 14.236,289 14.236,290 10.056,291 8.46,292 4.705,293 14.711,294 3.606,295 1.784,296 0.919,297 0.361,298 0.314,299 0.314,300 4.015,303 1,304 1,305 1,306 590,307 4.123,311 242.919,315 126.522,318 1.506,319 43.545,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 60,331 279,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.501,342 3.775,343 6.506,344 4.018,345 3.03,346 4.441,348 10.196,349 2.993,350 4.235,351 3.05,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.766,360 2.649,361 5.731,362 3.31,363 2.329,364 3.235,366 7.144,367 2.28,368 3.577,369 2.315,370 5.206,371 3.103,372 2.121,373 2.995,375 6.255,376 2.081,377 3.118,378 1.986,379 4.696,380 2.59,381 1.632,382 2.427,384 4.414,385 1.564,386 3.03,387 1.903,388 4.172,389 2.584,390 1.618,391 2.12,393 3.78,394 1.548,395 2.914,396 1.618,397 3.919,398 2.267,399 1.274,400 2.012,402 3.049,403 1.263,404 2.766,405 1.357,406 3.77,407 2.234,408 1.235,409 1.895,411 2.857,412 1.234,413 2.654,414 1.253,415 3.595,416 2.101,417 1.113,418 1.684,420 2.784,421 1.097,422 2.355,423 1,424 3.381,425 1.902,426 0.921,427 1.281,428 2.17,429 0.902,430 1.927,431 0.984,432 3.084,433 1.318,434 0.379,435 0.55,436 0.865,437 0.355,438 1.251,439 0.706,440 2.768,441 0.881,442 -0.1,443 -0.128,445 -0.232,446 -0.097,447 1.061,448 0.412,449 2.428,450 0.569,451 -0.395,452 -0.532,454 -0.945,455 -0.381,456 1,457 -0.18,458 2.312,459 0.361,460 -0.618,461 -0.927,463 -1.478,464 -0.603,465 12.767,466 0.473,467 0.869,468 0.032,469 40.25,470 1.491,471 23.5,472 0.87,473 16.75,474 0.62,475 18.208,476 0.674,477 28.633,478 0.666,479 32.891,480 1.218,481 8.011,482 0.297,483 4.792,484 0.177,485 0.183,486 0.065,487 0.298,493 0.312,494 1.175,495 0.744,496 1.186,497 0.576,498 0.917,499 0.528,500 1.018,501 0.709,502 0.847,503 0.487,504 0.796,505 0.812,506 1.214,507 1.195,508 1.25,509 0.665,510 1.042,511 1.387,512 1.321,513 1.402,514 1.331,515 1.352,516 1.19,517 1.291,518 0.964,519 1.052,520 0.931,521 1.358,522 0.941,523 0.793,524 0.913,525 1.005,526 0.955,527 0.697,528 1.036,529 1.11,530 0.834,531 1.066,532 0.942,533 1.122,534 0.921,535 1.252,536 0.724,537 1.078,538 0.852,539 1.312,540 0.915,541 6.5,542 0.14,543 4.667,544 2.375,545 1.667,546 1.215,547 0.651,548 0.438,549 0.284,550 0.196,551 8317,552 29018,553 1.984,554 37.2,555 3,556 11,558 2,564 1.702,565 1.81,566 3.34,567 -0.659,569 1,573 78.271,574 1.82,575 3.642,576 4.507,577 5.066,578 5.112,579 5.112,580 2.732,581 4.459,582 4.731,583 3.508,584 1231.37,585 8.215,586 15739.6,588 1,590 1,591 233.329,592 1.698,593 4.65,594 0.224,595 0.007,596 0.111,597 0.052,598 0.042,599 0.035,600 0.02,601 0.015,602 0.011,603 0.008,604 0.523,605 0.33,606 1,607 0.834,608 133.346,609 0.278,610 -0.007,611 0.219,612 -0.067,613 -0.081,614 -0.007,615 0.257,616 0.067,617 0.171,618 0.14,619 0.243,620 0.12,621 -0.032,622 -0.109,623 -0.117,624 -0.137,625 0.063,626 -0.096,627 -0.28,628 -0.319,629 -0.281,630 -0.252,631 -0.194,632 -0.236,633 -0.141,634 0.03,635 0.002,636 0.028,637 -0.227,638 0.011,639 0.317,640 0.107,641 -0.018,642 -0.016,643 0.385,644 -0.113,645 -0.071,646 0.09,647 0.045,648 0.095,649 -0.052,650 0.119,651 -0.145,652 0.182,653 -0.095,654 0.124,655 -0.123,656 0.09,657 4.95,658 5.79,659 0.593,660 21.849,661 1.025,662 1.122,663 2.936,664 8.619,665 0.699,666 3.401,667 3.761,668 4.025,669 4.205,670 4.407,671 4.407,672 4.394,673 4.394,674 4.394,675 4.331,676 6.273,677 0.681,678 384.45,679 3.401,680 4.963,681 5.82,682 6.708,683 7.585,684 8.476,685 9.358,686 10.25,687 11.133,688 12.026,689 9.3,692 1,698 1,699 1,700 1,703 2,704 9,705 1,709 4,711 17,725 1,731 43,733 22,734 2,735 29,737 45,738 18,739 15,740 5,741 7,742 1,746 3,747 4,752 1,761 16,762 2,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 16,782 7,784 9,785 1,790 4,794 0.667,795 4,805 1,812 3,816 1,840 2,842 1,844 2,848 27,852 1,859 1,870 9.3,873 2,876 2,877 14.917,878 8.467,879 5.861,880 2.33,881 4.075,882 1.572,883 0.978,884 5.109,885 11.204,886 3.773,887 4.454,888 5.029,889 5.584,890 6.137,891 6.427,892 6.726,893 7.009,894 7.271,895 7.346,896 0.857,897 46,898 10.281,900 4.754,901 8.201,902 18.258,904 14.821,905 2.701,906 72.917,909 1,910 188.338,911 132.33,912 40.515,914 95.06,916 5.807,917 126.522,918 283.397,919 40.515,920 22.892,922 81.617,923 93.688,924 42.502,926 164.795,927 50.747,928 188.338,929 167.037,930 95.06,931 5.807,933 188.338,934 44.313,935 50.747,937 38.076,938 97.458,939 37.31,941 188.338,942 135.574,943 132.33,945 5.807,946 188.338,947 15.396,948 118.192,950 128.508,951 188.338,952 135.574,953 132.33,955 0.597,956 0.356,957 0.175,958 0.094,959 20,960 10,961 0.111,962 5,963 1,964 1.125,965 3.721,966 229.058,967 0.125,968 16,969 124.382,973 1,974 18.806,975 7.335,976 3.761,977 1.6,978 129.904,979 14.473,980 4.246,984 0.656,987 456.242,988 42.5,990 -0.634,991 -4.034,993 47.496,995 1.425,996 4.031,999 44.094,1000 48.242,1001 0.335,1002 0.671,1003 0.831,1004 0.934,1005 0.942,1006 0.942,1007 5.012,1008 1.274,1009 5.861,1010 3.78,1011 4.443,1012 5.142,1013 2.501,1014 6.749,1015 4.375,1016 6.287,1017 1.235,1018 7.489,1019 3.049,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.149,1025 7.656,1026 1.113,1027 9.239,1028 2.857,1029 6.159,1030 7.536,1031 4.154,1032 11.136,1033 5.994,1034 9.073,1035 0.921,1036 11.065,1037 2.784,1038 6.825,1039 8.488,1040 4.506,1041 13.291,1042 6.565,1043 10.525,1044 0.379,1045 12.94,1046 2.17,1047 8.247,1048 10.275,1049 5.948,1050 16.008,1051 7.953,1052 12.005,1053 -0.1,1054 14.85,1055 0.865,1056 9.251,1057 11.564,1058 6.556,1059 18.459,1060 8.855,1061 13.506,1062 -0.395,1063 16.787,1064 -0.232,1065 10.532,1066 13.191,1067 7.794,1068 21.091,1069 10.084,1070 3.535,1071 -0.618,1072 18.744,1073 -0.945,1074 11.674,1075 14.622,1076 8.548,1077 23.646,1078 11.127,1079 3.03,1080 13.729,1081 20.717,1082 -1.478,1083 12.917,1084 16.192,1085 9.67,1086 26.261,1087 12.3,1088 2.756,1089 10.196,1090 22.703,1091 4.803,1092 14.116,1093 17.686,1094 10.509,1095 28.854,1096 13.405,1097 2.329,1098 8.469,1099 24.699,1100 4.441,1101 15.353,1102 19.237,1103 11.563,1104 31.468,1105 14.562,1106 2.121,1107 7.144,1108 26.703,1109 3.917,1110 16.579,1111 20.76,1112 12.452,1113 34.075,1114 15.695,1115 1.632,1116 6.255,1117 28.714,1118 3.235,1119 17.82,1120 22.307,1121 13.468,1122 36.691,1123 16.849,1124 1.618,1125 4.414,1126 30.73,1127 2.995,1128 19.059,1129 23.844,1130 14.386,1131 39.305,1132 17.996,1133 8165,1134 15451,1135 18.493,1136 30.057,1137 44.434,1138 46.487,1139 46.098,1140 43.9,1141 43.887,1142 62.719,1143 5.225,1144 131.423,1145 42.514,1146 5.761,1147 6.741,1148 7.387,1149 5.518,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.85,1156 1.532,1157 1.603,1158 1.59,1159 1.514,1160 1.513,1161 2.163,1162 0.18,1163 4.532,1164 1.466,1165 4.128,1166 4.13,1167 4.742,1168 4.087,1169 7.815,1170 4.033,1171 4.049,1172 4.063,1173 4.027,1174 3.994,1175 7.715,1176 3.977,1177 3.788,1178 3.788,1179 3.881,1180 3.613,1181 6.999,1182 3.567,1183 3.512,1184 3.554,1185 3.447,1186 3.395,1187 6.999,1188 3.385,1189 3.452,1190 3.49,1191 3.403,1192 3.152,1193 5.013,1194 3.2,1195 3.209,1196 3.252,1197 3.164,1198 3.002,1199 4.652,1200 3.009,1201 3.046,1202 3.132,1203 2.882,1204 2.855,1205 4.593,1206 2.836,1207 3.005,1208 3.081,1209 2.8,1210 2.678,1211 4.381,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2.042,1232 2.021,1233 2.115,1234 2.128,1235 1.238,1236 2.129,1237 1.989,1238 1.991,1239 2.02,1240 2.102,1241 1.22,1242 2.098,1243 1.581,1244 1.576,1245 1.687,1246 1.842,1247 0.789,1248 1.82,1249 1.463,1250 1.437,1251 1.609,1252 1.679,1253 0.68,1254 1.639,1255 1.316,1256 1.262,1257 1.565,1258 1.58,1259 0.612,1260 1.6,1261 1.113,1262 1.066,1263 1.277,1264 1.336,1265 0.421,1266 1.38,1267 1.037,1268 0.959,1269 1.15,1270 1.275,1271 0.267,1272 1.286,1273 0.907,1274 0.84,1275 1.112,1276 1.25,1277 0.114,1278 1.258,1279 4.078,1281 5.425,1283 6.978,1285 8.622,1287 10.313,1289 2.859,1300 0.8,1305 29.293,1306 78.271,1307 156.6,1308 193.82,1309 217.82,1310 219.82,1311 219.82,1312 67.817,1313 7.129,1314 108.45,1315 116.83,1316 18,1317 12.555,1318 4.524,1319 3.858,1320 46.975,1321 102,1322 87,1323 0.225,1324 186.271,1325 321.45,1326 446.262,1327 11898,1329 19.604,1330 0.726,1331 0.571,1332 19.854,1333 15.42,1334 12.803,1335 0.441,1336 0.323,1337 7.918,1338 11.423,1339 7.554,1340 6.322,1341 13.591,1342 9.362,1343 12.1,1344 0.288,1345 0.184,1346 13.443,1347 7.727,1348 10.099,1349 0.184,1350 0.106,1351 11.485,1352 5.836,1353 7.629,1354 0.116,1355 0.057,1356 8.675,1357 3.759,1358 6.062,1359 0.075,1360 0.031,1361 6.898,1362 2.497,1363 0.351,1364 89.146,1365 0.233,1366 25.77,1367 0.622,1368 142,1369 512.383,1370 198.451,1371 513.313,1372 683.22,1373 468,1374 168,1375 476.509,1376 232.045,1377 514.652,1378 742.5,1379 479,1380 5.638}
{0 CHEMBL397105,1 1.946,2 11,3 4.004,4 16.029,5 110.899,6 10.775,7 0.567,8 3.886,9 3.965,10 3.894,11 3.518,12 5.121,13 3.48,14 4.38,15 4.501,16 4.261,17 3.9,18 5.878,19 3.859,20 4.582,21 4.696,22 4.361,23 4.071,24 5.974,25 4.004,26 4.743,27 4.894,28 4.283,29 4.006,30 6.126,31 3.942,32 4.68,33 4.864,34 4.245,35 3.845,36 6.001,37 3.796,38 4.538,39 4.707,40 4.165,41 3.751,42 6.215,43 3.705,44 4.536,45 4.735,46 3.961,47 3.723,48 5.929,49 3.641,50 4.346,51 4.508,52 3.79,53 3.636,54 5.703,55 3.571,56 0.209,57 0.661,58 4.673,59 3.981,60 16.696,61 3.864,62 0.526,63 1.013,64 10.239,65 6.365,66 79.684,67 6.503,68 0.449,69 1.237,70 23.286,71 9.209,72 41.769,73 8.442,74 0.763,75 1.351,76 28.369,77 10.635,78 108.934,79 9.272,80 0.877,81 1.254,82 28.654,83 9.231,84 118.915,85 8.389,86 0.9,87 1.109,88 16.693,89 7.329,90 143.893,91 7.192,92 0.791,93 1.041,94 31.125,95 8.446,96 100.38,97 8.377,98 0.496,99 0.849,100 18.239,101 7.286,102 70.301,103 7.191,104 51,105 44,106 0.331,107 0.657,108 0.801,109 0.871,110 0.871,111 0.871,112 3.375,113 1.024,114 -4.78,115 -4.69,116 -4.41,117 1,119 41.9,120 1,124 1,142 6,143 4,144 3,145 2,155 1,166 3,172 8,174 4,175 5,183 12,186 2,187 15,195 9,198 1,199 15,207 1,211 4,212 16,220 1,223 7,224 7,232 2,236 4,237 5,245 4,250 8,258 7,263 5,271 9,275 1184,276 18.048,277 18.048,278 18.048,279 18.048,280 18.048,281 15.286,282 12.559,283 10.253,284 18.488,285 14.719,286 14.719,287 14.719,288 14.719,289 14.719,290 10.469,291 9.136,292 4.784,293 15.503,294 3.481,295 1.571,296 0.721,297 0.314,298 0.314,299 0.314,300 4.047,304 1,305 1,306 648,307 4.183,311 252.809,315 131.609,318 1.5,319 44.848,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 61.75,331 308,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.522,342 3.775,343 6.518,344 4.042,345 3.054,346 4.468,348 10.249,349 3.018,350 4.235,351 3.123,352 6.051,353 3.731,354 2.756,355 3.917,357 8.469,358 2.685,359 3.781,360 2.765,361 5.731,362 3.32,363 2.363,364 3.248,366 7.149,367 2.282,368 3.726,369 2.631,370 5.324,371 3.242,372 2.298,373 3.197,375 6.711,376 2.136,377 3.351,378 2.259,379 4.822,380 2.832,381 1.906,382 2.678,384 5.312,385 1.669,386 3.066,387 1.924,388 4.69,389 2.591,390 1.629,391 2.271,393 4.408,394 1.555,395 2.937,396 1.898,397 4.193,398 2.439,399 1.5,400 2.057,402 3.756,403 1.369,404 2.911,405 1.552,406 3.917,407 2.234,408 1.236,409 2.007,411 3.032,412 1.234,413 2.654,414 1.31,415 3.769,416 2.097,417 1.114,418 1.684,420 2.812,421 1.092,422 2.395,423 1.001,424 3.426,425 1.92,426 0.954,427 1.338,428 2.258,429 0.913,430 1.941,431 1,432 3.141,433 1.339,434 0.403,435 0.577,436 0.931,437 0.371,438 1.251,439 0.787,440 2.786,441 0.881,442 -0.1,443 -0.128,445 -0.232,446 -0.097,447 1.152,448 0.415,449 2.477,450 0.601,451 -0.236,452 -0.309,454 -0.557,455 -0.138,456 1.056,457 0.263,458 2.403,459 0.565,460 -0.397,461 -0.533,463 -0.992,464 -0.38,465 14.1,466 0.504,467 0.976,468 0.035,469 40.75,470 1.455,471 23.5,472 0.839,473 17.25,474 0.616,475 21.732,476 0.776,477 29.1,478 0.677,479 32.474,480 1.16,481 7.811,482 0.279,483 5.385,484 0.192,485 0.26,486 0.059,487 0.305,493 0.326,494 1.148,495 0.525,496 0.993,497 0.578,498 0.844,499 0.551,500 0.921,501 0.583,502 0.692,503 0.489,504 0.698,505 0.822,506 1.254,507 1.075,508 1.249,509 0.671,510 1.113,511 1.357,512 1.253,513 0.845,514 1.154,515 1.337,516 1.131,517 1.278,518 1.02,519 0.769,520 0.906,521 1.377,522 0.937,523 0.847,524 0.989,525 0.618,526 0.822,527 0.723,528 0.941,529 1.134,530 0.716,531 0.882,532 0.831,533 1.135,534 0.901,535 1.153,536 0.971,537 0.527,538 0.98,539 1.24,540 1.023,541 7.5,542 0.165,543 4.889,544 2.563,545 1.938,546 1.354,547 0.732,548 0.462,549 0.309,550 0.247,551 9154,552 35907,553 1.964,554 34.9,555 3,556 9,558 3,564 1.711,565 1.778,566 3.411,567 -0.636,569 1,573 83.667,574 1.946,575 3.855,576 4.705,577 5.112,578 5.112,579 5.112,580 2.843,581 4.379,582 4.783,583 3.573,584 1350.67,585 8.317,586 17731.3,591 233.329,592 1.728,593 4.694,594 0.25,595 0.007,596 0.111,597 0.053,598 0.046,599 0.037,600 0.021,601 0.015,602 0.011,603 0.009,604 0.561,605 0.17,606 0.88,607 0.843,608 140.248,609 0.262,610 -0.001,611 0.044,612 -0.06,613 -0.078,614 -0.008,615 0.228,616 0.156,617 0.056,618 0.188,619 0.243,620 0.175,621 -0.057,622 -0.172,623 -0.144,624 -0.207,625 0.052,626 -0.198,627 -0.273,628 -0.252,629 -0.099,630 -0.164,631 -0.192,632 -0.184,633 -0.139,634 -0.013,635 0.001,636 0.02,637 -0.236,638 0.017,639 0.263,640 0.056,641 0.027,642 0.046,643 0.375,644 -0.037,645 -0.052,646 0.246,647 -0.04,648 0.126,649 -0.041,650 0.114,651 -0.15,652 -0.064,653 -0.004,654 -0.06,655 -0.124,656 -0.023,657 4.969,658 5.825,659 0.571,660 23.163,661 1.031,662 1.118,663 3.55,664 12.606,665 0.73,666 3.434,667 3.807,668 4.06,669 4.248,670 4.466,671 4.5,672 4.466,673 4.477,674 4.489,675 4.454,676 6.5,677 0.705,678 463.34,679 3.434,680 5.004,681 5.861,682 6.753,683 7.631,684 8.525,685 9.408,686 10.303,687 11.188,688 12.084,689 9.3,692 1,698 1,699 1,700 1,703 2,704 8,705 1,709 5,711 17,725 1,730 1,731 43,733 22,734 2,735 30,736 1,737 45,738 18,739 15,740 6,741 6,742 1,746 3,747 4,752 1,761 16,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 15,782 7,784 10,785 2,790 4,794 0.667,795 4,805 1,812 3,816 1,840 2,842 1,843 1,844 2,848 28,852 1,859 1,869 1,870 9.3,873 2,876 2,877 15.75,878 8.526,879 6.028,880 2.299,881 4.09,882 1.565,883 0.982,884 5.683,885 11.323,886 3.795,887 4.489,888 5.058,889 5.622,890 6.191,891 6.513,892 6.802,893 7.096,894 7.364,895 7.483,896 1,897 48,898 10.65,900 4.916,901 8.19,902 18.929,904 15.392,905 2.69,906 75.333,909 1,910 176.567,911 125.908,912 86.469,914 95.06,916 5.807,917 166.055,918 271.626,919 40.515,920 22.892,922 62.665,923 105.459,924 55.034,926 141.253,927 96.701,928 176.567,929 160.616,930 95.06,931 5.807,932 45.954,933 176.567,934 44.313,935 50.747,937 44.979,938 84.134,939 37.31,940 45.954,941 176.567,942 135.574,943 171.863,945 5.807,946 176.567,947 18.88,948 108.287,949 45.954,950 128.508,951 176.567,952 135.574,953 171.863,955 0.602,956 0.354,957 0.173,958 0.095,959 21,960 11,961 0.111,962 5,963 1,964 1.125,965 3.778,966 241.244,967 0.125,968 16,969 130.606,973 1,974 20.246,975 7.86,976 4.186,977 1.734,978 129.904,979 12.615,980 4.142,984 1.468,987 484.004,988 43.5,990 -0.637,991 -4.053,993 47.605,995 1.396,996 4.029,999 44.324,1000 48.084,1001 0.359,1002 0.71,1003 0.867,1004 0.942,1005 0.942,1006 0.942,1007 5.045,1008 1.5,1009 5.911,1010 4.408,1011 4.489,1012 5.176,1013 2.501,1014 6.799,1015 4.392,1016 6.327,1017 1.236,1018 7.541,1019 3.756,1020 4.369,1021 5.352,1022 2.361,1023 8.091,1024 4.187,1025 7.7,1026 1.114,1027 9.287,1028 3.032,1029 6.209,1030 7.573,1031 4.154,1032 11.165,1033 6.015,1034 9.118,1035 0.954,1036 11.106,1037 2.812,1038 6.878,1039 8.533,1040 4.506,1041 13.304,1042 6.593,1043 10.569,1044 0.403,1045 12.974,1046 2.258,1047 8.287,1048 10.307,1049 5.948,1050 16.02,1051 7.975,1052 12.046,1053 -0.1,1054 14.878,1055 0.931,1056 9.287,1057 11.596,1058 6.556,1059 18.465,1060 8.881,1061 13.543,1062 -0.236,1063 16.809,1064 -0.232,1065 10.561,1066 13.218,1067 7.794,1068 21.097,1069 10.107,1070 3.535,1071 -0.397,1072 18.761,1073 -0.557,1074 11.7,1075 14.649,1076 8.548,1077 23.65,1078 11.153,1079 3.054,1080 13.729,1081 20.73,1082 -0.992,1083 12.939,1084 16.216,1085 9.67,1086 26.264,1087 12.326,1088 2.756,1089 10.249,1090 22.713,1091 4.803,1092 14.136,1093 17.71,1094 10.509,1095 28.856,1096 13.432,1097 2.363,1098 8.469,1099 24.706,1100 4.468,1101 15.37,1102 19.261,1103 11.563,1104 31.47,1105 14.589,1106 2.298,1107 7.149,1108 26.709,1109 3.917,1110 16.594,1111 20.783,1112 12.452,1113 34.077,1114 15.723,1115 1.906,1116 6.711,1117 28.718,1118 3.248,1119 17.834,1120 22.33,1121 13.468,1122 36.692,1123 16.878,1124 1.629,1125 5.312,1126 30.734,1127 3.197,1128 19.071,1129 23.867,1130 14.386,1131 39.306,1132 18.025,1133 9025,1134 18047,1135 18.898,1136 31.409,1137 46.158,1138 48.273,1139 48.159,1140 45.698,1141 45.494,1142 64.49,1143 5.225,1144 137.634,1145 43.159,1146 5.761,1147 6.741,1148 7.234,1149 5.519,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.803,1156 1.539,1157 1.609,1158 1.605,1159 1.523,1160 1.516,1161 2.15,1162 0.174,1163 4.588,1164 1.439,1165 4.129,1166 4.131,1167 6.88,1168 4.091,1169 7.815,1170 4.044,1171 4.055,1172 4.064,1173 4.742,1174 4.02,1175 7.715,1176 3.986,1177 3.788,1178 3.788,1179 3.999,1180 3.614,1181 6.999,1182 3.569,1183 3.508,1184 3.548,1185 3.881,1186 3.407,1187 6.999,1188 3.379,1189 3.442,1190 3.475,1191 3.441,1192 3.152,1193 4.999,1194 3.199,1195 3.215,1196 3.257,1197 3.323,1198 3.043,1199 4.649,1200 3.043,1201 3.064,1202 3.143,1203 3.142,1204 2.883,1205 4.585,1206 2.858,1207 3.005,1208 3.082,1209 2.888,1210 2.7,1211 4.449,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2.05,1232 2.033,1233 2.1,1234 2.123,1235 1.257,1236 2.126,1237 1.989,1238 1.993,1239 2.019,1240 2.099,1241 1.232,1242 2.096,1243 1.578,1244 1.576,1245 1.659,1246 1.841,1247 0.787,1248 1.818,1249 1.42,1250 1.399,1251 1.565,1252 1.675,1253 0.613,1254 1.631,1255 1.315,1256 1.261,1257 1.523,1258 1.535,1259 0.608,1260 1.553,1261 1.14,1262 1.097,1263 1.322,1264 1.338,1265 0.421,1266 1.381,1267 1.058,1268 0.984,1269 1.149,1270 1.288,1271 0.358,1272 1.309,1273 0.907,1274 0.84,1275 1.084,1276 1.25,1277 0.091,1278 1.259,1279 4.111,1281 5.468,1283 7.024,1285 8.669,1287 10.361,1288 3.397,1289 2.847,1300 0.788,1305 30.318,1306 83.667,1307 165.781,1308 202.31,1309 219.82,1310 219.82,1311 219.82,1312 72.928,1313 7.233,1314 108.45,1315 116.83,1316 18,1317 12.611,1318 4.524,1319 3.858,1320 49.721,1321 110,1322 106,1323 0.222,1324 198.185,1325 340.73,1326 475.332,1327 13505,1328 2.3,1329 20.474,1330 0.731,1331 0.618,1332 21.724,1333 17.307,1334 13.196,1335 0.44,1336 0.341,1337 8.055,1338 11.243,1339 7.632,1340 6.363,1341 14.562,1342 10.245,1343 12.734,1344 0.289,1345 0.2,1346 14.893,1347 8.819,1348 10.434,1349 0.183,1350 0.112,1351 12.345,1352 6.398,1353 7.888,1354 0.114,1355 0.061,1356 9.404,1357 4.181,1358 6.3,1359 0.073,1360 0.033,1361 7.622,1362 2.83,1363 0.347,1364 99.927,1365 0.23,1366 26.596,1367 0.609,1368 148,1369 539.037,1370 269.989,1371 575.792,1372 753.71,1373 524,1374 175,1375 497.89,1376 267.143,1377 550.199,1378 793.12,1379 511,1380 5}
{0 CHEMBL397780,1 1.946,2 10.429,3 4.004,4 16.029,5 110.899,6 10.775,7 0.567,8 3.886,9 3.965,10 3.894,11 3.518,12 5.121,13 3.48,14 4.38,15 4.501,16 4.261,17 3.9,18 5.875,19 3.859,20 4.582,21 4.696,22 4.435,23 4.085,24 5.975,25 4.017,26 4.747,27 4.891,28 4.39,29 4.03,30 6.142,31 3.962,32 4.68,33 4.865,34 4.229,35 3.856,36 5.997,37 3.802,38 4.541,39 4.704,40 4.094,41 3.731,42 6.221,43 3.687,44 4.532,45 4.739,46 3.939,47 3.698,48 5.914,49 3.627,50 4.349,51 4.507,52 4.106,53 3.706,54 5.69,55 3.611,56 0.209,57 0.661,58 4.673,59 3.981,60 16.807,61 3.864,62 0.526,63 1.013,64 10.239,65 6.365,66 79.2,67 6.503,68 0.446,69 1.237,70 19.775,71 9.157,72 42.887,73 8.421,74 0.774,75 1.346,76 33.719,77 10.932,78 107.653,79 9.343,80 0.872,81 1.255,82 27.831,83 9.338,84 120.392,85 8.424,86 0.913,87 1.107,88 25.045,89 7.502,90 141.584,91 7.241,92 0.782,93 1.045,94 23.087,95 7.989,96 102.129,97 8.252,98 0.493,99 0.846,100 26.18,101 7.992,102 73.849,103 7.294,104 51,105 44,106 0.331,107 0.657,108 0.801,109 0.871,110 0.871,111 0.871,112 3.375,113 1.025,114 -4.78,115 -4.69,116 -4.41,117 1,119 41.9,120 1,124 1,142 6,143 4,144 3,145 2,155 1,166 3,172 8,174 4,175 5,183 12,186 2,187 14,195 8,198 1,199 17,207 3,211 4,212 14,223 7,224 8,232 2,236 4,237 6,245 4,250 5,258 7,263 9,271 7,275 1170,276 18.101,277 18.101,278 18.101,279 18.101,280 18.101,281 15.318,282 12.559,283 10.276,284 18.509,285 14.703,286 14.703,287 14.703,288 14.703,289 14.703,290 10.448,291 9.136,292 4.755,293 15.444,294 3.481,295 1.571,296 0.721,297 0.314,298 0.314,299 0.314,300 4.047,304 1,305 1,306 615,307 4.183,311 251.423,315 130.973,318 1.541,319 45.035,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 61.75,331 292,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.577,342 3.775,343 6.665,344 4.089,345 3.114,346 4.535,348 10.698,349 3.033,350 4.236,351 3.248,352 6.051,353 3.731,354 2.756,355 3.917,357 8.47,358 2.685,359 3.803,360 2.725,361 5.734,362 3.34,363 2.394,364 3.273,366 7.354,367 2.284,368 3.739,369 2.595,370 5.641,371 3.27,372 2.302,373 3.214,375 7.113,376 2.167,377 3.132,378 2.187,379 4.715,380 2.637,381 1.697,382 2.427,384 4.574,385 1.573,386 3.118,387 1.905,388 4.473,389 2.588,390 1.618,391 2.264,393 4.014,394 1.565,395 2.916,396 1.715,397 4.091,398 2.373,399 1.429,400 2.017,402 3.75,403 1.302,404 2.823,405 1.618,406 3.918,407 2.234,408 1.235,409 1.943,411 3.024,412 1.233,413 2.664,414 1.265,415 3.769,416 2.119,417 1.165,418 1.715,420 2.806,421 1.102,422 2.53,423 1.154,424 3.461,425 2.02,426 1.052,427 1.511,428 2.458,429 0.984,430 1.967,431 1,432 3.165,433 1.377,434 0.453,435 0.634,436 1.051,437 0.403,438 1.268,439 0.881,440 2.791,441 0.882,442 -0.096,443 -0.123,445 -0.223,446 -0.084,447 1.251,448 0.419,449 2.479,450 0.723,451 -0.147,452 -0.196,454 -0.336,455 -0.107,456 1,457 0.278,458 2.387,459 0.364,460 -0.609,461 -0.751,463 -1.432,464 -0.479,465 14.1,466 0.504,467 0.959,468 0.034,469 40.75,470 1.455,471 23.5,472 0.839,473 17.25,474 0.616,475 21.994,476 0.785,477 29.1,478 0.677,479 32.428,480 1.158,481 7.827,482 0.28,483 5.386,484 0.192,485 0.26,486 0.059,487 0.305,493 0.326,494 1.148,495 0.525,496 0.993,497 0.577,498 0.844,499 0.551,500 0.921,501 0.583,502 0.692,503 0.494,504 0.698,505 0.811,506 1.227,507 1.017,508 1.177,509 0.665,510 1.044,511 1.359,512 1.28,513 1.146,514 1.265,515 1.335,516 1.174,517 1.305,518 0.986,519 0.779,520 0.865,521 1.38,522 0.917,523 0.849,524 1.069,525 0.894,526 1.031,527 0.73,528 1.089,529 1.09,530 0.695,531 0.443,532 0.666,533 1.128,534 0.801,535 1.185,536 0.89,537 0.596,538 0.839,539 1.262,540 0.947,541 7,542 0.173,543 5.111,544 2.688,545 1.898,546 1.333,547 0.651,548 0.469,549 0.333,550 0.216,551 9062,552 35203,553 1.964,554 34.9,555 3,556 9,558 3,564 1.711,565 1.778,566 3.366,567 -0.636,569 1,573 83.667,574 1.946,575 3.855,576 4.705,577 5.112,578 5.112,579 5.112,580 2.74,581 4.379,582 4.784,583 3.54,584 1338.14,585 8.32,586 17563.9,591 233.329,592 1.728,593 4.694,594 0.233,595 0.008,596 0.116,597 0.055,598 0.044,599 0.036,600 0.019,601 0.016,602 0.011,603 0.008,604 0.546,605 0.17,606 0.88,607 0.843,608 139.995,609 0.262,610 -0.001,611 0.044,612 -0.06,613 -0.078,614 -0.008,615 0.228,616 0.156,617 0.056,618 0.188,619 0.239,620 0.175,621 -0.046,622 -0.144,623 -0.084,624 -0.133,625 0.059,626 -0.128,627 -0.267,628 -0.281,629 -0.13,630 -0.211,631 -0.192,632 -0.216,633 -0.166,634 0.022,635 -0.009,636 0.061,637 -0.239,638 0.038,639 0.266,640 -0.027,641 -0.083,642 -0.126,643 0.365,644 -0.182,645 -0.017,646 0.271,647 0.071,648 0.213,649 -0.031,650 0.202,651 -0.177,652 0.016,653 0.127,654 0.132,655 -0.146,656 0.064,657 4.973,658 5.833,659 0.571,660 22.643,661 1.031,662 1.118,663 3.55,664 12.606,665 0.73,666 3.434,667 3.807,668 4.078,669 4.263,670 4.466,671 4.477,672 4.477,673 4.477,674 4.489,675 4.443,676 6.422,677 0.705,678 463.34,679 3.434,680 5.004,681 5.866,682 6.76,683 7.643,684 8.538,685 9.425,686 10.321,687 11.209,688 12.106,689 9.3,692 1,698 1,699 1,700 1,703 2,704 8,705 1,709 5,711 17,725 1,730 1,731 43,733 22,734 2,735 30,736 1,737 45,738 18,739 15,740 6,741 6,742 1,746 3,747 4,752 1,761 16,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 15,782 7,784 10,785 2,790 4,794 0.667,795 4,805 1,812 3,816 1,840 2,842 1,843 1,844 2,848 28,852 1,859 1,869 1,870 9.3,873 2,876 2,877 15.75,878 8.526,879 6.056,880 2.306,881 4.112,882 1.569,883 0.982,884 5.683,885 11.346,886 3.795,887 4.489,888 5.072,889 5.634,890 6.187,891 6.497,892 6.804,893 7.092,894 7.364,895 7.466,896 0.857,897 49,898 10.652,900 4.92,901 8.19,902 18.929,904 15.397,905 2.69,906 75.333,909 1,910 176.567,911 125.908,912 86.469,914 95.06,916 5.807,917 166.055,918 271.626,919 40.515,920 22.892,922 62.665,923 105.459,924 55.034,926 141.253,927 96.701,928 176.567,929 160.616,930 95.06,931 5.807,932 45.954,933 176.567,934 44.313,935 50.747,937 44.979,938 84.134,939 37.31,940 45.954,941 176.567,942 135.574,943 171.863,945 5.807,946 176.567,947 18.88,948 108.287,949 45.954,950 128.508,951 176.567,952 135.574,953 171.863,955 0.601,956 0.361,957 0.177,958 0.094,959 21,960 11,961 0.111,962 5,963 1,964 1.125,965 3.76,966 242.321,967 0.125,968 16,969 130.606,973 1,974 20.246,975 7.86,976 4.036,977 1.719,978 129.904,979 12.589,980 4.153,984 1.422,987 484.004,988 43.5,990 -0.638,991 -4.056,993 47.628,995 1.395,996 4.033,999 44.324,1000 48.084,1001 0.359,1002 0.71,1003 0.867,1004 0.942,1005 0.942,1006 0.942,1007 5.045,1008 1.429,1009 5.916,1010 4.014,1011 4.489,1012 5.176,1013 2.501,1014 6.815,1015 4.392,1016 6.327,1017 1.235,1018 7.553,1019 3.75,1020 4.369,1021 5.352,1022 2.361,1023 8.124,1024 4.187,1025 7.702,1026 1.165,1027 9.308,1028 3.024,1029 6.217,1030 7.58,1031 4.154,1032 11.206,1033 6.018,1034 9.123,1035 1.052,1036 11.135,1037 2.806,1038 6.899,1039 8.552,1040 4.506,1041 13.349,1042 6.601,1043 10.578,1044 0.453,1045 13.01,1046 2.458,1047 8.309,1048 10.329,1049 5.948,1050 16.065,1051 7.983,1052 12.06,1053 -0.096,1054 14.918,1055 1.051,1056 9.319,1057 11.63,1058 6.556,1059 18.506,1060 8.893,1061 13.562,1062 -0.147,1063 16.852,1064 -0.223,1065 10.594,1066 13.253,1067 7.794,1068 21.134,1069 10.12,1070 3.535,1071 -0.609,1072 18.805,1073 -0.336,1074 11.736,1075 14.692,1076 8.548,1077 23.681,1078 11.168,1079 3.114,1080 13.729,1081 20.774,1082 -1.432,1083 12.975,1084 16.262,1085 9.67,1086 26.292,1087 12.341,1088 2.756,1089 10.698,1090 22.756,1091 4.803,1092 14.173,1093 17.76,1094 10.509,1095 28.879,1096 13.448,1097 2.394,1098 8.47,1099 24.747,1100 4.535,1101 15.407,1102 19.313,1103 11.563,1104 31.489,1105 14.606,1106 2.302,1107 7.354,1108 26.747,1109 3.917,1110 16.63,1111 20.839,1112 12.452,1113 34.093,1114 15.74,1115 1.697,1116 7.113,1117 28.754,1118 3.273,1119 17.868,1120 22.387,1121 13.468,1122 36.706,1123 16.895,1124 1.618,1125 4.574,1126 30.767,1127 3.214,1128 19.104,1129 23.926,1130 14.386,1131 39.317,1132 18.043,1133 8938,1134 17792,1135 18.898,1136 31.409,1137 46.129,1138 48.367,1139 48.358,1140 45.68,1141 45.499,1142 64.507,1143 5.225,1144 138.084,1145 43.174,1146 5.761,1147 6.741,1148 7.231,1149 5.52,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 17.711,1156 1.538,1157 1.612,1158 1.612,1159 1.523,1160 1.517,1161 2.15,1162 0.174,1163 4.603,1164 1.439,1165 4.129,1166 4.13,1167 6.881,1168 4.091,1169 7.815,1170 4.046,1171 4.055,1172 4.063,1173 4.742,1174 4.024,1175 7.715,1176 3.987,1177 3.788,1178 3.788,1179 3.983,1180 3.614,1181 6.999,1182 3.568,1183 3.507,1184 3.549,1185 3.881,1186 3.38,1187 6.999,1188 3.364,1189 3.44,1190 3.477,1191 3.441,1192 3.152,1193 4.998,1194 3.198,1195 3.214,1196 3.257,1197 3.353,1198 3.059,1199 4.649,1200 3.05,1201 3.067,1202 3.142,1203 3.163,1204 2.904,1205 4.585,1206 2.871,1207 3.005,1208 3.082,1209 2.853,1210 2.698,1211 4.447,1212 2.719,1213 0.165,1214 0.158,1215 0.257,1216 0.149,1217 0.118,1218 4.96,1219 0.16,1220 4.741,1221 0.087,1222 7.698,1223 0.458,1224 4.463,1225 0.108,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2.05,1232 2.034,1233 2.093,1234 2.122,1235 1.259,1236 2.124,1237 1.989,1238 1.993,1239 2.019,1240 2.098,1241 1.232,1242 2.095,1243 1.578,1244 1.576,1245 1.664,1246 1.841,1247 0.788,1248 1.818,1249 1.424,1250 1.396,1251 1.565,1252 1.676,1253 0.615,1254 1.632,1255 1.315,1256 1.261,1257 1.561,1258 1.554,1259 0.61,1260 1.569,1261 1.138,1262 1.098,1263 1.293,1264 1.337,1265 0.421,1266 1.381,1267 1.057,1268 0.986,1269 1.149,1270 1.28,1271 0.346,1272 1.299,1273 0.907,1274 0.84,1275 1.074,1276 1.25,1277 0.091,1278 1.258,1279 4.111,1281 5.468,1283 7.029,1285 8.682,1287 10.38,1288 3.454,1289 2.846,1300 0.788,1305 30.318,1306 83.667,1307 165.781,1308 202.31,1309 219.82,1310 219.82,1311 219.82,1312 73.443,1313 7.233,1314 108.45,1315 116.83,1316 18,1317 12.632,1318 4.524,1319 3.858,1320 49.699,1321 109,1322 90,1323 0.224,1324 198.185,1325 340.73,1326 475.332,1327 13503,1328 2.3,1329 20.474,1330 0.731,1331 0.618,1332 21.724,1333 17.307,1334 13.213,1335 0.44,1336 0.342,1337 8.061,1338 11.29,1339 7.64,1340 6.372,1341 14.579,1342 10.251,1343 12.628,1344 0.287,1345 0.198,1346 14.712,1347 8.727,1348 10.571,1349 0.182,1350 0.114,1351 12.674,1352 6.626,1353 7.996,1354 0.114,1355 0.061,1356 9.661,1357 4.282,1358 6.31,1359 0.073,1360 0.033,1361 7.636,1362 2.835,1363 0.35,1364 100.028,1365 0.23,1366 26.534,1367 0.618,1368 148,1369 539.037,1370 269.989,1371 575.623,1372 754.31,1373 524,1374 176,1375 498.89,1376 273.796,1377 550.993,1378 796.48,1379 512,1380 5}
{0 CHEMBL397796,1 1.924,2 8.783,3 1.882,4 3.542,5 86.712,6 8.879,7 0.458,8 3.762,9 3.862,10 3.637,11 3.252,12 4.997,13 3.237,14 4.269,15 4.432,16 3.931,17 3.602,18 5.781,19 3.593,20 4.39,21 4.519,22 3.985,23 3.756,24 5.828,25 3.711,26 4.61,27 4.783,28 3.897,29 3.714,30 6.012,31 3.665,32 4.515,33 4.721,34 3.869,35 3.53,36 5.841,37 3.521,38 4.373,39 4.53,40 3.845,41 3.514,42 6.14,43 3.5,44 4.446,45 4.662,46 3.478,47 3.466,48 5.862,49 3.395,50 4.211,51 4.456,52 3.075,53 3.189,54 5.429,55 3.125,56 0.214,57 0.625,58 8.372,59 3.346,60 16.826,61 3.744,62 0.594,63 0.909,64 14.773,65 4.886,66 81.402,67 5.896,68 0.444,69 1.032,70 17.93,71 6.953,72 37.908,73 7.218,74 0.8,75 1.052,76 26.987,77 7.832,78 110.436,79 8.414,80 0.877,81 0.907,82 25.199,83 5.954,84 123.974,85 6.991,86 0.905,87 0.858,88 17.054,89 4.978,90 127.8,91 5.835,92 0.76,93 0.8,94 23.855,95 6.582,96 99.496,97 8.115,98 0.664,99 0.598,100 17.896,101 4.767,102 107.898,103 6.285,104 51,105 35,106 0.342,107 0.676,108 0.797,109 0.847,110 0.847,111 0.847,112 3.188,113 0.989,114 -2.82,115 -2.83,116 -2.74,119 34.2,120 1,124 2,142 3,143 1,144 2,145 1,152 1,155 1,160 1,166 3,172 3,174 5,175 2,183 4,186 3,187 11,195 3,198 2,199 11,211 4,212 8,223 9,224 3,236 4,237 2,250 4,262 1,263 3,275 754,276 14.532,277 14.532,278 14.532,279 14.532,280 14.532,281 12.407,282 14.077,283 8.218,284 14.921,285 11.732,286 11.732,287 11.732,288 11.732,289 11.732,290 8.477,291 12.627,292 3.798,293 12.375,294 3.324,295 1.442,296 0.764,297 0.481,298 0.481,299 0.481,300 3.835,303 1,304 1,305 1,306 412,307 4.062,310 74.41,311 85.322,318 1.463,319 41.058,321 1,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 52.5,331 202,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.241,342 3.775,343 6.06,344 3.762,345 2.821,346 3.919,348 8.604,349 2.692,350 4.205,351 2.912,352 6.026,353 3.718,354 2.75,355 3.852,357 8.457,358 2.621,359 3.76,360 2.631,361 5.73,362 3.302,363 2.32,364 3.231,366 7.134,367 2.274,368 3.169,369 2.197,370 4.708,371 2.667,372 1.722,373 2.286,375 4.523,376 1.617,377 2.915,378 1.905,379 4.153,380 2.285,381 1.335,382 2.015,384 3.561,385 1.264,386 2.696,387 1.594,388 3.892,389 2.233,390 1.235,391 1.765,393 2.983,394 1.231,395 2.567,396 1.215,397 3.763,398 2.061,399 1.127,400 1.589,402 2.77,403 1.054,404 2.513,405 1.07,406 3.422,407 1.999,408 1.038,409 1.478,411 2.391,412 0.992,413 1.894,414 1,415 3.104,416 1.248,417 0.325,418 0.474,420 0.741,421 0.299,422 1.251,423 0.747,424 2.751,425 0.88,426 -0.101,427 -0.129,428 -0.234,429 -0.098,430 1,431 0.41,432 2.312,433 0.344,434 -0.578,435 -0.673,436 -1.269,437 -0.531,438 1,439 -0.18,440 2.294,441 0.156,442 -0.816,443 -1.157,445 -2,446 -0.777,447 0.659,448 -0.392,449 2,451 -1,452 -1.234,454 -2.608,455 -1,456 0.652,457 -0.849,458 2,460 -1,461 -1.538,463 -2.787,464 -1,465 10.667,466 0.464,467 0.856,468 0.037,469 32.5,470 1.413,471 17.5,472 0.761,473 15,474 0.652,475 15.493,476 0.674,477 25.933,478 0.682,479 26.383,480 1.147,481 6.538,482 0.284,483 4.193,484 0.182,485 0.266,486 0.078,487 0.3,493 0.376,494 1.548,495 0.763,496 1.396,497 0.586,498 1.048,499 0.628,500 0.93,501 0.688,502 0.717,503 0.488,504 0.648,505 0.845,506 1.338,507 1.303,508 1.469,509 0.71,510 1.216,511 1.359,512 1.238,513 1.402,514 1.366,515 1.366,516 1.215,517 1.322,518 0.892,519 0.974,520 0.87,521 1.436,522 0.795,523 0.819,524 0.911,525 1.041,526 0.964,527 0.732,528 1.045,529 1.03,530 0.916,531 1.169,532 1.099,533 1.067,534 1.1,535 1.317,536 0.67,537 0.766,538 0.501,539 1.389,540 0.751,541 6.5,542 0.096,543 4.444,544 2.257,545 1.396,546 1.177,547 0.59,548 0.272,549 0.152,550 0.135,551 4927,552 19062,553 1.888,554 39.5,555 3,556 9,558 3,564 1.66,565 1.693,566 3.124,567 -0.558,568 1,569 1,571 1,573 73.103,574 1.924,575 3.806,576 4.484,577 4.767,578 4.767,579 4.767,580 2.525,581 4.263,582 4.496,583 3.317,584 839.233,585 7.754,586 9521.43,587 1,588 1,590 1,591 199.421,592 1.771,593 4.392,594 0.271,595 0.01,596 0.127,597 0.063,598 0.045,599 0.041,600 0.02,601 0.012,602 0.01,603 0.009,604 0.607,605 0.33,606 1,607 0.916,608 106.98,609 0.243,610 -0.238,611 0.237,612 -0.163,613 -0.081,614 -0.073,615 0.2,616 0.206,617 0.237,618 0.29,619 0.254,620 0.292,621 -0.059,622 -0.136,623 -0.2,624 -0.23,625 0.053,626 -0.228,627 -0.277,628 -0.25,629 -0.262,630 -0.251,631 -0.207,632 -0.236,633 -0.168,634 0.029,635 0.102,636 0.09,637 -0.25,638 0.151,639 0.304,640 0.147,641 -0.092,642 -0.021,643 0.395,644 -0.171,645 -0.02,646 -0.037,647 -0.151,648 -0.124,649 -0.015,650 -0.083,651 -0.246,652 0.071,653 0.065,654 0.286,655 -0.244,656 0.272,657 4.907,658 5.539,659 0.478,660 18.189,661 1.035,662 1.14,663 1.589,664 2.525,665 0.666,666 3.219,667 3.584,668 3.807,669 3.912,670 3.989,671 4.025,672 3.932,673 3.829,674 3.714,675 3.611,676 5.551,677 0.652,678 337.4,679 3.219,680 4.779,681 5.624,682 6.506,683 7.373,684 8.258,685 9.132,686 10.018,687 10.895,688 11.784,689 13.2,692 1,697 1,698 1,699 1,700 1,704 5,705 1,709 4,710 1,711 11,725 1,731 38,733 16,734 1,735 24,737 39,738 13,739 9,740 3,741 3,742 1,746 2,747 2,752 1,761 10,762 3,766 5,768 1,769 1,771 4,773 1,774 1,777 1,778 1,781 15,782 7,784 10,785 1,787 1,790 5,794 1,795 4,811 1,812 1,840 2,842 1,844 3,848 23,852 1,859 1,870 10.5,873 2,876 2,877 13.583,878 7.833,879 5,880 1.928,881 2.562,882 1.403,883 0.938,884 4.828,885 8.918,886 3.57,887 4.23,888 4.724,889 5.186,890 5.523,891 5.839,892 5.978,893 6.057,894 6.048,895 6.239,896 0.833,897 36,898 8.771,900 4.022,901 8.351,902 15.295,904 12.034,905 2.851,906 65.583,910 176.567,911 96.817,912 42.414,914 95.06,916 5.807,917 91.01,918 271.626,919 42.414,920 31.288,922 34.236,923 114.078,924 36.499,925 2.757,926 141.253,927 50.747,928 176.567,929 133.424,930 95.06,931 5.807,933 176.567,934 44.313,935 50.747,937 46.449,938 55.471,939 37.31,941 176.567,942 137.474,943 96.817,945 5.807,946 176.567,947 10.25,948 89.725,950 128.508,951 176.567,952 137.474,953 96.817,955 0.604,956 0.355,957 0.159,958 0.076,959 16,960 9,961 0.128,962 5,964 1,965 3.316,966 176.377,968 11,969 100.042,973 1,974 17.125,975 6.484,976 3.577,978 129.904,979 6.765,980 3.894,984 0.565,985 1.669,987 410.857,988 34.5,990 -0.642,991 -3.99,993 46.754,995 1.344,996 3.881,999 39.313,1000 43.325,1001 0.367,1002 0.725,1003 0.854,1004 0.908,1005 0.908,1006 0.908,1007 4.818,1008 1.127,1009 5.687,1010 2.983,1011 4.263,1012 4.916,1013 2.501,1014 6.578,1015 4.157,1016 6.101,1017 1.038,1018 7.328,1019 2.77,1020 4.205,1021 5.139,1022 2.361,1023 7.936,1024 4.021,1025 7.479,1026 0.325,1027 9.091,1028 2.391,1029 5.999,1030 7.29,1031 4.154,1032 10.994,1033 5.762,1034 8.903,1035 -0.101,1036 10.927,1037 0.741,1038 6.735,1039 8.308,1040 4.506,1041 13.185,1042 6.399,1043 10.363,1044 -0.578,1045 12.812,1046 -0.234,1047 8.114,1048 10.022,1049 5.948,1050 15.905,1051 7.719,1052 11.848,1053 -0.816,1054 14.732,1055 -1.269,1056 9.155,1057 11.349,1058 6.556,1059 18.381,1060 8.657,1061 13.354,1062 -1,1063 16.678,1064 -2,1065 10.42,1066 12.934,1067 7.794,1068 21.024,1069 9.85,1070 3.535,1071 -1,1072 18.644,1073 -2.608,1074 11.581,1075 14.386,1076 8.548,1077 23.595,1078 10.91,1079 2.821,1080 13.729,1081 20.626,1082 -2.787,1083 12.82,1084 15.936,1085 9.67,1086 26.22,1087 12.069,1088 2.75,1089 8.604,1090 22.62,1091 4.803,1092 14.032,1093 17.443,1094 10.509,1095 28.823,1096 13.183,1097 2.32,1098 8.457,1099 24.624,1100 3.919,1101 15.272,1102 18.99,1103 11.563,1104 31.443,1105 14.338,1106 1.722,1107 7.134,1108 26.637,1109 3.852,1110 16.506,1111 20.523,1112 12.452,1113 34.057,1114 15.479,1115 1.335,1116 4.523,1117 28.655,1118 3.231,1119 17.752,1120 22.073,1121 13.468,1122 36.677,1123 16.638,1124 1.235,1125 3.561,1126 30.678,1127 2.286,1128 18.998,1129 23.62,1130 14.386,1131 39.294,1132 17.793,1133 5067,1134 10144,1135 14.622,1136 25.301,1137 37.091,1138 38.665,1139 38.776,1140 36.391,1141 36.419,1142 50.822,1143 5.225,1144 109.786,1145 34.597,1146 5.762,1147 6.741,1148 7.23,1149 5.529,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.308,1156 1.545,1157 1.611,1158 1.616,1159 1.516,1160 1.517,1161 2.118,1162 0.218,1163 4.574,1164 1.442,1165 4.117,1166 4.11,1167 4.742,1168 4.081,1169 7.815,1170 4.007,1171 3.936,1172 3.996,1173 3.891,1174 3.737,1175 7.715,1176 3.768,1177 3.778,1178 3.775,1179 3.88,1180 3.603,1181 6.999,1182 3.552,1183 3.481,1184 3.525,1185 3.437,1186 3.152,1187 6.999,1188 3.201,1189 3.202,1190 3.247,1191 3.16,1192 2.971,1193 4.981,1194 2.968,1195 3.047,1196 3.154,1197 2.801,1198 2.817,1199 4.646,1200 2.791,1201 3.005,1202 3.082,1203 2.795,1204 2.679,1205 4.535,1206 2.719,1207 2.928,1208 3.033,1209 2.713,1210 2.677,1211 3.869,1212 2.676,1213 0.207,1214 0.198,1215 0.321,1216 0.186,1217 0.147,1218 4.96,1219 0.2,1220 4.741,1221 0.109,1222 7.698,1223 0.572,1224 4.463,1225 0.136,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.996,1233 2.02,1234 2.109,1235 1.234,1236 2.107,1237 1.658,1238 1.616,1239 1.799,1240 1.9,1241 0.889,1242 1.876,1243 1.52,1244 1.507,1245 1.647,1246 1.796,1247 0.775,1248 1.776,1249 1.34,1250 1.276,1251 1.565,1252 1.668,1253 0.612,1254 1.628,1255 1.305,1256 1.249,1257 1.502,1258 1.538,1259 0.498,1260 1.537,1261 1.077,1262 1.008,1263 1.238,1264 1.327,1265 0.421,1266 1.377,1267 0.907,1268 0.84,1269 1.149,1270 1.25,1271 0.192,1272 1.259,1273 0.906,1274 0.8,1275 1.073,1276 1.199,1277 0.086,1278 1.224,1279 3.892,1281 5.242,1282 2.398,1283 6.777,1284 4.595,1285 8.394,1286 6.529,1287 10.058,1289 4.573,1300 0.77,1305 24.787,1306 73.103,1307 144.627,1308 170.402,1309 181.157,1310 181.157,1311 181.157,1312 65.13,1313 6.356,1314 113.38,1315 121.76,1316 11,1317 12.316,1318 4.087,1319 3.524,1320 45.194,1321 74,1322 67,1323 0.296,1324 161.28,1325 277.13,1326 385.282,1327 3961,1329 17.198,1330 0.748,1331 0.589,1332 17.448,1333 13.558,1334 10.73,1335 0.447,1336 0.33,1337 6.439,1338 9.245,1339 6.067,1340 5.126,1341 11.519,1342 7.915,1343 10.369,1344 0.296,1345 0.193,1346 11.711,1347 6.739,1348 8.415,1349 0.191,1350 0.114,1351 9.801,1352 5,1353 5.85,1354 0.119,1355 0.062,1356 6.896,1357 3.017,1358 3.981,1359 0.075,1360 0.035,1361 4.817,1362 1.853,1363 0.457,1364 77.417,1365 0.262,1366 22.404,1367 0.838,1368 118,1369 474.028,1370 176.255,1371 470.16,1372 615.72,1373 426,1374 138,1375 421.973,1376 204.432,1377 458.301,1378 654.91,1379 422,1380 5}
{0 CHEMBL404630,1 1.727,2 11.593,3 3.196,4 10.211,5 104.072,6 8.295,7 0.533,8 3.989,9 4.086,10 3.635,11 3.484,12 5.138,13 3.491,14 4.516,15 4.666,16 4.005,17 3.883,18 5.603,19 3.872,20 4.768,21 4.957,22 4.088,23 4.015,24 5.876,25 3.965,26 4.796,27 5.013,28 3.945,29 3.974,30 5.871,31 3.884,32 4.747,33 4.99,34 3.937,35 3.846,36 5.815,37 3.772,38 4.587,39 4.799,40 3.862,41 3.778,42 5.655,43 3.713,44 4.464,45 4.647,46 3.736,47 3.722,48 5.589,49 3.65,50 4.478,51 4.685,52 3.608,53 3.66,54 5.499,55 3.561,56 0.183,57 0.671,58 8.763,59 4.245,60 15.736,61 5,62 0.35,63 1.08,64 17.566,65 6.879,66 21.853,67 8.427,68 0.658,69 1.282,70 27.495,71 9.195,72 50.209,73 11.617,74 0.613,75 1.278,76 29.571,77 9.969,78 65.844,79 13.369,80 0.771,81 1.173,82 30.073,83 8.989,84 66.419,85 12.389,86 0.619,87 1.013,88 25.153,89 7.785,90 45.206,91 10.137,92 0.469,93 0.934,94 19.528,95 7.07,96 38.01,97 9.037,98 0.474,99 0.909,100 21.243,101 7.255,102 38.161,103 9.436,104 10,105 42,106 0.295,107 0.65,108 0.761,109 0.854,110 0.861,111 0.861,112 3.34,113 0.915,114 -2.64,115 -2.66,116 -2.59,119 40.4,125 6,142 5,143 2,144 4,146 1,152 1,166 1,172 3,175 4,180 5,183 5,186 1,187 6,190 1,192 5,195 7,199 3,202 1,203 1,204 2,207 3,212 4,215 3,217 3,220 4,224 3,227 2,229 3,232 3,240 1,241 1,242 3,245 2,249 2,250 3,255 2,258 1,263 3,267 1,268 1,275 1171,276 18.361,277 18.361,278 18.361,279 18.361,280 18.361,281 16.413,282 19.414,283 10.843,284 18.916,285 14.81,286 14.81,287 14.81,288 14.81,289 14.81,290 11.873,291 25.377,292 5.176,293 15.754,294 3.828,295 1.75,296 1.098,297 0.553,298 0.511,299 0.511,300 4.038,301 1,303 1,304 1,305 1,306 683,307 2.739,310 60.417,311 245.55,314 108.707,318 1.83,319 31.45,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.833,331 313,332 4.647,333 3.333,334 6.811,335 4.21,336 3.228,337 4.577,338 0.86,339 11.255,340 3.171,341 4.283,342 3.095,343 6.167,344 3.819,345 2.862,346 4.005,347 0.8,348 9.028,349 2.733,350 3.793,351 2.891,352 5.743,353 3.454,354 2.533,355 3.225,356 0.4,357 7.514,358 2.332,359 3.609,360 2.704,361 5.35,362 3.372,363 2.437,364 2.985,366 6.981,367 2.257,368 3.505,369 2.456,370 5.262,371 3.188,372 2.238,373 2.52,375 6.664,376 2.101,377 3.221,378 2.163,379 4.983,380 2.766,381 1.819,382 2.508,384 5.363,385 1.693,386 2.917,387 2.05,388 4.422,389 2.447,390 1.552,391 2.097,393 4.182,394 1.403,395 2.666,396 1.736,397 4.054,398 2.431,399 1.47,400 1.733,402 3.291,403 1.373,404 2.555,405 1.389,406 3.679,407 2.165,408 1.218,409 1.557,411 3.152,412 1.143,413 2.213,414 1.256,415 3.375,416 1.975,417 1.047,418 1.164,420 2.353,421 0.963,422 2.03,423 1.251,424 3.261,425 1.952,426 1,427 1,428 2.136,429 0.946,430 2,431 0.983,432 3.247,433 1.665,434 0.709,435 0.921,436 1.681,437 0.662,438 1.607,439 0.581,440 3.021,441 1.196,442 0.33,443 0.407,445 0.812,446 0.259,447 1.136,448 0.236,449 2.678,450 0.913,451 -0.016,452 -0.017,454 -0.039,455 -0.015,456 0.844,457 -0.071,458 2.644,459 0.444,460 -0.485,461 -0.594,463 -1.217,464 -0.425,465 12.748,466 0.472,467 0.644,468 0.024,469 33.75,470 1.25,471 15.5,472 0.574,473 18.25,474 0.676,475 21.955,476 0.813,477 29.852,478 0.635,479 25.09,480 0.929,481 6.828,482 0.253,483 6.286,484 0.233,485 0.108,487 0.345,493 0.874,494 1.263,495 0.64,496 0.973,497 0.894,498 0.88,499 1.024,500 1.168,501 0.745,502 0.913,503 0.653,504 0.873,505 0.96,506 0.973,507 0.905,508 0.943,509 0.801,510 0.952,511 0.732,512 1.156,513 0.909,514 1.085,515 0.692,516 1.071,517 0.687,518 0.865,519 0.669,520 0.811,521 0.64,522 0.802,523 0.894,524 0.882,525 0.887,526 0.856,527 0.723,528 0.865,529 0.835,530 1.14,531 0.968,532 1.094,533 0.822,534 1.117,535 0.869,536 1.046,537 1.006,538 1.132,539 0.934,540 1.175,541 5,542 0.106,543 3.111,544 1.569,545 1.409,546 0.858,547 0.562,548 0.321,549 0.264,550 0.172,551 9477,552 28748,553 2.12,554 42.6,556 17,559 3,564 1.699,565 2,566 3.489,567 0.981,568 1,569 1,573 81.162,574 1.727,575 3.805,576 4.457,577 5.001,578 5.044,579 5.044,580 2.936,581 4.385,582 4.723,583 3.652,584 1281.71,585 8.19,586 16625.6,588 1,590 1,591 261.066,592 1.352,593 4.694,594 0.167,595 0.006,596 0.074,597 0.037,598 0.039,599 0.025,600 0.018,601 0.011,602 0.011,603 0.008,604 0.396,605 0.33,606 1,607 0.528,608 134.77,609 -0.051,610 -0.062,611 0.014,612 0.023,613 -0.09,614 0.036,615 -0.163,616 -0.024,617 0.003,618 0.046,619 -0.004,620 0.05,621 -0.051,622 0.076,623 -0.009,624 0.023,625 0.05,626 0.005,627 0.057,628 -0.171,629 0.002,630 -0.106,631 0.142,632 -0.067,633 0.18,634 0.092,635 0.246,636 0.133,637 0.187,638 0.197,639 0.031,640 0.108,641 0.096,642 0.117,643 0.059,644 0.119,645 0.025,646 -0.108,647 -0.08,648 -0.108,649 0.031,650 -0.143,651 -0.013,652 -0.06,653 -0.091,654 -0.151,655 -0.085,656 -0.182,657 1.851,658 4.17,659 0.778,660 27.152,661 1.019,662 1.128,663 1.41,664 1.987,665 0.671,666 3.434,667 3.761,668 4.043,669 4.304,670 4.543,671 4.605,672 4.718,673 4.844,674 4.913,675 4.997,676 6.741,677 0.649,678 389.87,679 3.434,680 4.977,681 5.832,682 6.711,683 7.585,684 8.471,685 9.356,686 10.247,687 11.138,688 12.033,689 6.4,692 1,694 1,699 1,703 2,704 5,705 1,707 1,709 6,711 16,724 1,728 2,730 1,731 47,733 16,734 2,735 30,737 50,738 19,739 13,740 7,741 5,746 4,747 5,748 1,761 13,762 6,778 1,781 20,782 7,783 3,784 8,785 1,789 1,790 3,794 0.75,795 4,811 1,812 3,815 1,836 1,839 1,840 3,845 1,848 27,853 2,854 6,855 1,856 1,859 1,869 1,870 8.5,872 2,874 1,875 1,877 13.5,878 8.193,879 5.889,880 2.755,881 3.18,882 1.415,883 0.955,884 5.518,885 10.839,886 3.664,887 4.287,888 4.904,889 5.528,890 6.1,891 6.484,892 6.92,893 7.373,894 7.651,895 7.999,896 0.875,897 42,898 9.977,900 4.322,901 7.831,902 18.927,904 15.677,905 2.331,906 62.944,909 1,910 200.109,911 84.598,912 40.732,913 39.149,914 106.101,917 84.598,918 345.358,919 40.732,921 17.608,922 47.381,923 133.974,924 27.631,925 4.836,926 200.109,927 39.149,928 200.109,929 125.329,930 106.101,931 39.149,933 200.109,934 95.101,935 11,937 23.489,938 64.233,939 76.756,941 200.109,942 146.832,943 123.746,946 200.109,947 37.216,948 50.506,949 18.011,950 164.846,951 200.109,952 146.832,953 123.746,955 0.583,956 0.343,957 0.182,958 0.101,959 21,960 9,961 0.1,962 5,963 1,964 1.095,965 3.959,966 231.132,967 0.095,968 21,969 122.382,974 18.528,975 8.041,976 4.048,977 1.357,978 146.832,979 8.369,980 4.067,982 5.367,984 1.653,986 103.377,987 470.687,988 38,999 47.891,1000 53.013,1001 0.311,1002 0.685,1003 0.802,1004 0.9,1005 0.908,1006 0.908,1007 4.905,1008 1.47,1009 5.814,1010 4.182,1011 4.443,1012 4.973,1013 1.324,1014 6.624,1015 4.333,1016 6.109,1017 1.218,1018 7.372,1019 3.291,1020 4.007,1021 4.856,1022 0.325,1023 7.516,1024 3.832,1025 7.422,1026 1.047,1027 9.031,1028 3.152,1029 6.033,1030 7.226,1031 0.958,1032 10.636,1033 5.852,1034 8.775,1035 1,1036 10.75,1037 2.353,1038 6.431,1039 7.976,1040 0.268,1041 12.388,1042 6.207,1043 10.163,1044 0.709,1045 12.509,1046 2.136,1047 7.917,1048 9.825,1049 0.736,1050 15.032,1051 7.686,1052 11.577,1053 0.33,1054 14.296,1055 1.681,1056 8.705,1057 10.975,1058 0.188,1059 17.153,1060 8.451,1061 13.012,1062 -0.016,1063 16.103,1064 0.812,1065 9.976,1066 12.617,1067 0.57,1068 19.641,1069 9.712,1070 3.228,1071 -0.485,1072 17.927,1073 -0.039,1074 10.953,1075 13.957,1076 0.125,1077 21.926,1078 10.675,1079 2.862,1080 11.255,1081 19.764,1082 -1.217,1083 12.139,1084 15.515,1085 0.439,1086 24.362,1087 11.852,1088 2.533,1089 9.028,1090 21.613,1091 4.577,1092 13.207,1093 16.943,1094 0.082,1095 26.719,1096 12.91,1097 2.437,1098 7.514,1099 23.47,1100 4.005,1101 14.365,1102 18.469,1103 0.334,1104 29.139,1105 14.059,1106 2.238,1107 6.981,1108 25.336,1109 3.225,1110 15.478,1111 19.939,1112 0.054,1113 31.528,1114 15.162,1115 1.819,1116 6.664,1117 27.208,1118 2.985,1119 16.629,1120 21.453,1121 0.252,1122 33.944,1123 16.303,1124 1.552,1125 5.363,1126 29.086,1127 2.52,1128 17.764,1129 22.944,1130 0.035,1131 36.349,1132 17.427,1133 8952,1134 15810,1135 20.285,1136 31.546,1137 45.159,1138 45.712,1139 45.951,1140 45.012,1141 44.886,1142 57.397,1143 4.12,1144 128.826,1145 42.072,1146 5.647,1147 5.333,1148 6.613,1149 5.314,1150 5.228,1151 7.577,1152 1.72,1153 18.622,1154 5.171,1155 11.651,1156 1.505,1157 1.524,1158 1.532,1159 1.5,1160 1.496,1161 1.913,1162 0.137,1163 4.294,1164 1.402,1165 4.119,1166 4.131,1167 4.119,1168 4.019,1169 6.493,1170 4.033,1171 3.853,1172 3.884,1173 3.939,1174 3.777,1175 6.446,1176 3.78,1177 3.809,1178 3.851,1179 3.691,1180 3.59,1181 5.263,1182 3.605,1183 3.491,1184 3.553,1185 3.437,1186 3.268,1187 4.797,1188 3.286,1189 3.242,1190 3.287,1191 3.308,1192 3.079,1193 4.633,1194 3.082,1195 3.111,1196 3.206,1197 3.105,1198 2.941,1199 4.517,1200 2.91,1201 2.999,1202 3.023,1203 2.876,1204 2.809,1205 4.099,1206 2.819,1207 2.944,1208 2.969,1209 2.866,1210 2.784,1211 4.057,1212 2.787,1213 0.155,1214 0.111,1215 0.227,1216 0.14,1217 0.108,1218 4.647,1219 0.153,1220 3.333,1221 0.029,1222 6.811,1223 0.375,1224 4.21,1225 0.106,1226 3.228,1227 4.577,1228 0.86,1229 11.255,1230 3.171,1231 1.964,1232 1.951,1233 2.034,1234 2.048,1235 1.267,1236 2.046,1237 1.827,1238 1.812,1239 1.955,1240 1.981,1241 1.183,1242 1.976,1243 1.733,1244 1.671,1245 1.883,1246 1.925,1247 1.018,1248 1.915,1249 1.4,1250 1.329,1251 1.676,1252 1.648,1253 0.931,1254 1.657,1255 1.202,1256 1.181,1257 1.513,1258 1.467,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.297,1264 1.376,1265 0.378,1266 1.395,1267 0.938,1268 0.903,1269 1.158,1270 1.213,1271 0.293,1272 1.195,1273 0.865,1274 0.843,1275 1.074,1276 1.118,1277 0.155,1278 1.087,1279 4.111,1281 5.434,1282 2.398,1283 6.952,1284 4.727,1285 8.56,1286 6.843,1287 10.218,1290 5.982,1294 19.797,1295 5.229,1296 3.407,1297 5.359,1300 2.357,1305 30.492,1306 81.162,1307 178.827,1308 209.456,1309 235.066,1310 237.066,1311 237.066,1312 48.322,1313 7.659,1314 90.99,1315 90.99,1316 23,1317 12.56,1318 4.087,1319 3.17,1320 40.335,1321 107,1322 117,1323 0.181,1324 187.66,1325 320.01,1326 449.651,1327 23465,1328 2.1,1329 18.803,1330 0.696,1331 0.569,1332 19.303,1333 15.369,1334 13.114,1335 0.437,1336 0.305,1337 8.638,1338 12.181,1339 8.489,1340 6.923,1341 13.403,1342 9.147,1343 11.846,1344 0.282,1345 0.163,1346 12.217,1347 6.851,1348 10.167,1349 0.182,1350 0.088,1351 10.569,1352 4.954,1353 8.311,1354 0.114,1355 0.046,1356 8.516,1357 3.33,1358 6.826,1359 0.073,1360 0.024,1361 7.137,1362 2.275,1363 0.287,1364 86.444,1365 0.222,1366 26.138,1367 0.489,1368 144,1369 461.597,1370 175.671,1371 465.092,1372 621.62,1373 434,1374 170,1375 435.386,1376 199.622,1377 443.033,1378 649.48,1379 417,1380 4.699}
{0 CHEMBL405157,1 1.502,2 11.674,3 1.938,4 3.757,5 157.733,6 7.293,7 0.128,8 4.485,9 4.584,10 4.018,11 3.999,12 5.605,13 3.984,14 5.083,15 5.239,16 4.445,17 4.457,18 6.147,19 4.426,20 5.418,21 5.579,22 4.671,23 4.732,24 6.507,25 4.682,26 5.66,27 5.853,28 4.801,29 4.866,30 6.702,31 4.808,32 5.784,33 5.972,34 4.927,35 4.914,36 6.966,37 4.875,38 5.807,39 5.982,40 4.934,41 4.941,42 7.077,43 4.905,44 5.847,45 6.028,46 4.877,47 4.951,48 7.132,49 4.887,50 5.875,51 6.114,52 4.7,53 4.848,54 7.057,55 4.756,56 0.104,57 1.086,58 17.102,59 8.263,60 27.543,61 10.164,62 0.594,63 1.839,64 34.5,65 14.131,66 74.168,67 18.092,68 0.749,69 2.516,70 48.639,71 19.708,72 125.67,73 25.379,74 0.914,75 3.053,76 64.677,77 24.425,78 152.258,79 32.107,80 1.779,81 3.268,82 75.912,83 26.153,84 235.944,85 33.983,86 2.018,87 3.346,88 77.604,89 26.072,90 303.516,91 33.11,92 1.991,93 3.461,94 80.626,95 27.759,96 320.225,97 35.822,98 2.091,99 3.392,100 88.283,101 27.33,102 337.094,103 37.288,104 120,105 71,106 0.228,107 0.599,108 0.834,109 0.881,110 0.886,111 0.886,112 3.789,113 0.933,114 -2.57,115 -2.59,116 -2.52,119 40.7,120 3,121 4,122 1,123 2,124 1,125 3,127 3,136 4,137 1,138 1,142 5,143 1,156 1,158 3,172 17,174 2,175 12,180 3,183 21,186 1,187 14,190 1,192 7,195 18,198 3,199 18,204 4,207 14,211 3,212 19,215 4,217 3,220 17,223 4,224 16,227 3,229 4,232 18,236 6,237 20,240 1,241 1,242 5,245 15,249 3,250 16,253 2,255 4,258 9,262 2,263 17,266 2,268 2,271 11,275 3719,276 28.451,277 28.451,278 28.451,279 28.451,280 28.451,281 26.45,282 33.212,283 16.535,284 28.957,285 23.079,286 23.079,287 23.079,288 23.079,289 23.079,290 19.79,291 41.348,292 7.673,293 23.809,294 4.838,295 2.393,296 0.851,297 0.54,298 0.506,299 0.506,300 4.482,305 1,306 1070,307 5.099,310 79.403,311 364.507,314 132.264,315 264.16,318 1.697,319 80.325,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.67,328 1,329 0.81,330 95,331 502,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 4.038,343 7.865,344 4.567,345 3.575,346 3.785,347 2.308,348 14.589,349 3.543,350 4.174,351 3.781,352 6.696,353 3.843,354 2.863,355 3.466,356 1.674,357 10.49,358 2.808,359 4.015,360 3.65,361 6.588,362 3.789,363 2.79,364 3.394,365 1.148,366 10.007,367 2.781,368 3.928,369 3.56,370 5.95,371 3.599,372 2.631,373 3.183,374 0.916,375 8.135,376 2.557,377 3.714,378 3.461,379 5.769,380 3.414,381 2.452,382 2.899,383 0.86,384 7.573,385 2.335,386 3.566,387 3.001,388 5.545,389 3.188,390 2.223,391 2.73,392 0.525,393 7.258,394 2.129,395 3.519,396 2.884,397 5.36,398 3.132,399 2.178,400 2.485,401 0.172,402 6.123,403 2.06,404 3.347,405 2.633,406 5.098,407 2.968,408 1.991,409 2.228,411 5.818,412 1.926,413 3.17,414 2.422,415 5.014,416 2.766,417 1.785,418 2.056,420 4.939,421 1.732,422 2.933,423 2.37,424 4.624,425 2.578,426 1.617,427 1.964,428 4.604,429 1.544,430 2.836,431 2.09,432 4.282,433 2.476,434 1.487,435 1.834,436 3.488,437 1.47,438 2.655,439 1.842,440 4.122,441 2.336,442 1.369,443 1.647,445 3.076,446 1.318,447 2.5,448 1.736,449 3.826,450 2.259,451 1.291,452 1.5,454 2.87,455 1.237,456 2.477,457 1.676,458 3.773,459 2,460 1.085,461 1.412,463 2.401,464 1,465 19.967,466 0.464,467 1.378,468 0.032,469 45.25,470 1.052,471 18,472 0.419,473 27.25,474 0.634,475 59.652,476 1.387,477 48.433,478 0.598,479 46.996,480 1.093,481 8.578,482 0.199,483 11.887,484 0.276,485 0.204,486 0.05,487 0.346,493 0.776,494 1.259,495 0.802,496 1.169,497 0.653,498 1.021,499 0.825,500 0.958,501 0.814,502 0.927,503 0.55,504 0.873,505 0.878,506 1.152,507 0.964,508 1.135,509 0.76,510 1.078,511 0.94,512 1.103,513 0.933,514 1.115,515 0.895,516 1.039,517 1.12,518 1.027,519 0.939,520 1.006,521 1,522 0.948,523 1.339,524 1,525 1.107,526 1.003,527 1.37,528 1.004,529 1.218,530 1.152,531 1.176,532 1.169,533 1.253,534 1.17,535 1.227,536 0.903,537 1.046,538 0.888,539 1.195,540 0.924,541 10.5,542 0.333,543 6.444,544 5.292,545 5.217,546 3.399,547 2.594,548 1.59,549 1.042,550 0.656,551 24474,552 68303,553 2.006,554 46.9,555 9,556 17,557 1,559 2,560 5,561 4,564 1.829,565 1.817,566 3.427,567 0.114,573 121.642,574 1.502,575 3.947,576 5.489,577 5.799,578 5.833,579 5.833,580 2.87,581 5.147,582 5.393,583 3.629,584 3276.99,585 9.62,586 54082.1,591 513.528,592 1.752,593 5.314,594 0.223,595 0.007,596 0.091,597 0.062,598 0.055,599 0.032,600 0.025,601 0.017,602 0.013,603 0.01,604 0.534,605 0.33,606 0.63,607 1.278,608 238.357,609 -0.051,610 -0.058,611 0.037,612 -0.007,613 -0.039,614 0.027,615 0.027,616 0.154,617 0.095,618 0.152,619 0.054,620 0.144,621 -0.011,622 -0.065,623 -0.047,624 -0.063,625 -0.007,626 -0.062,627 -0.026,628 -0.072,629 0.019,630 -0.085,631 -0.06,632 -0.034,633 0.058,634 -0.039,635 0.066,636 -0.009,637 0.008,638 0.023,639 -0.042,640 0.008,641 -0.091,642 -0.015,643 -0.065,644 -0.054,645 -0.005,646 -0.159,647 -0.172,648 -0.174,649 -0.004,650 -0.206,651 -0.063,652 0.021,653 -0.003,654 0.05,655 -0.022,656 0.036,657 2.55,658 7.19,659 0.535,660 48.313,661 1.009,662 1.125,663 1.335,664 1.783,665 0.646,666 3.871,667 4.277,668 4.644,669 5.03,670 5.389,671 5.645,672 5.883,673 6.1,674 6.252,675 6.356,676 6.995,677 0.62,678 590.73,679 3.871,680 5.468,681 6.372,682 7.321,683 8.264,684 9.231,685 10.192,686 11.169,687 12.141,688 13.123,689 2.5,692 1,698 1,704 5,709 1,711 6,731 81,733 13,734 1,735 47,737 85,738 33,739 6,740 1,741 5,742 8,746 5,747 11,752 3,753 2,754 2,755 6,756 1,758 7,760 1,761 15,762 17,763 1,766 6,771 3,773 1,775 8,781 38,782 10,783 2,784 10,790 2,794 0.4,795 8,797 1,811 1,812 4,815 1,816 2,822 1,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 2,844 4,848 43,853 2,854 7,856 3,858 4,859 1,860 2,861 1,866 1,868 1,870 9.9,871 1,872 1,873 3,874 1,875 2,877 23.667,878 15.633,879 9.431,880 4.906,881 2.08,882 1.229,883 0.897,884 8.709,885 11.158,886 4.078,887 4.6,888 5.122,889 5.641,890 6.162,891 6.471,892 6.828,893 7.176,894 7.456,895 7.691,896 0.875,897 86,898 16.352,900 7.539,901 7.996,902 30.313,904 26.177,905 2.496,906 107.333,910 423.76,911 164.775,912 34.184,914 193.801,917 164.775,918 617.561,919 34.184,920 37.359,921 27.989,922 90.065,923 165.236,924 72.111,925 11.771,926 411.989,928 423.76,929 198.959,930 193.801,933 376.675,934 187.202,935 53.683,937 79.601,938 119.357,941 423.76,942 227.985,943 164.775,946 423.76,947 54.386,948 96.912,949 16.602,950 224.86,951 423.76,952 227.985,953 164.775,955 0.589,956 0.356,957 0.207,958 0.129,959 35,960 18,961 0.106,962 9,963 3,964 1.261,965 4.533,966 503.102,967 0.261,968 23,969 229.329,974 31.161,975 12.017,976 5.253,978 227.985,979 9.515,984 0.936,986 85.367,987 816.519,988 58,993 40.258,995 1.547,997 -1.653,999 81.727,1000 91.145,1001 0.237,1002 0.623,1003 0.866,1004 0.915,1005 0.92,1006 0.92,1007 5.409,1008 2.178,1009 6.435,1010 7.258,1011 4.963,1012 5.288,1013 3.506,1014 7.428,1015 4.912,1016 6.642,1017 1.991,1018 8.116,1019 6.123,1020 4.89,1021 5.239,1022 2.283,1023 8.916,1024 4.846,1025 7.998,1026 1.785,1027 9.922,1028 5.818,1029 6.765,1030 7.382,1031 4.839,1032 12.128,1033 6.691,1034 9.391,1035 1.617,1036 11.806,1037 4.939,1038 7.529,1039 8.132,1040 4.276,1041 14.475,1042 7.468,1043 10.824,1044 1.487,1045 13.745,1046 4.604,1047 8.974,1048 9.825,1049 6.406,1050 17.339,1051 8.895,1052 12.284,1053 1.369,1054 15.721,1055 3.488,1056 10.08,1057 10.933,1058 6.177,1059 19.973,1060 10.007,1061 13.769,1062 1.291,1063 17.725,1064 3.076,1065 11.413,1066 12.47,1067 8.06,1068 22.758,1069 11.33,1070 3.849,1071 1.085,1072 19.749,1073 2.87,1074 12.652,1075 13.752,1076 8.027,1077 25.484,1078 12.568,1079 3.575,1080 16.383,1081 21.79,1082 2.401,1083 13.964,1084 15.233,1085 9.754,1086 28.255,1087 13.873,1088 2.863,1089 14.589,1090 23.843,1091 4.407,1092 15.254,1093 16.604,1094 9.85,1095 31.012,1096 15.158,1097 2.79,1098 10.49,1099 25.906,1100 3.785,1101 16.569,1102 18.068,1103 11.469,1104 33.784,1105 16.466,1106 2.631,1107 10.007,1108 27.976,1109 3.466,1110 17.88,1111 19.486,1112 11.661,1113 36.554,1114 17.771,1115 2.452,1116 8.135,1117 30.051,1118 3.394,1119 19.201,1120 20.949,1121 13.197,1122 39.33,1123 19.085,1124 2.223,1125 7.573,1126 32.132,1127 3.183,1128 20.522,1129 22.393,1130 13.464,1131 42.107,1132 20.399,1133 23797,1134 39846,1135 29.937,1136 52.353,1137 74.454,1138 78.09,1139 77.977,1140 71.572,1141 71.572,1142 84.486,1143 20.118,1144 226.956,1145 69.511,1146 6.02,1147 6.232,1148 8.128,1149 5.935,1150 5.849,1151 7.407,1152 4.763,1153 25.386,1154 5.82,1155 27.56,1156 1.584,1157 1.661,1158 1.659,1159 1.523,1160 1.523,1161 1.798,1162 0.428,1163 4.829,1164 1.479,1165 4.132,1166 4.148,1167 4.085,1168 4.055,1169 7.437,1170 4.058,1171 3.929,1172 3.966,1173 3.855,1174 3.856,1175 7.431,1176 3.85,1177 3.866,1178 3.889,1179 3.795,1180 3.769,1181 7.427,1182 3.771,1183 3.661,1184 3.72,1185 3.566,1186 3.508,1187 6.818,1188 3.514,1189 3.574,1190 3.593,1191 3.489,1192 3.361,1193 6.46,1194 3.38,1195 3.514,1196 3.535,1197 3.439,1198 3.291,1199 6.448,1200 3.317,1201 3.443,1202 3.474,1203 3.359,1204 3.267,1205 4.767,1206 3.286,1207 3.312,1208 3.376,1209 3.163,1210 3.141,1211 4.7,1212 3.132,1213 0.107,1214 0.09,1215 0.176,1216 0.103,1217 0.082,1218 5.02,1219 0.094,1220 4.232,1221 0.052,1222 8.266,1223 0.349,1224 4.842,1225 0.081,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.117,1234 2.128,1235 1.521,1236 2.122,1237 1.916,1238 1.885,1239 2.046,1240 2.013,1241 1.271,1242 2.026,1243 1.767,1244 1.741,1245 1.919,1246 1.911,1247 1.201,1248 1.912,1249 1.627,1250 1.571,1251 1.84,1252 1.812,1253 1.183,1254 1.823,1255 1.578,1256 1.525,1257 1.82,1258 1.766,1259 1.036,1260 1.784,1261 1.437,1262 1.405,1263 1.696,1264 1.704,1265 0.818,1266 1.692,1267 1.413,1268 1.373,1269 1.657,1270 1.661,1271 0.772,1272 1.658,1273 1.343,1274 1.308,1275 1.571,1276 1.546,1277 0.691,1278 1.552,1279 4.554,1281 5.938,1282 2.398,1283 7.537,1284 4.844,1285 9.259,1286 7.034,1287 11.058,1289 6.423,1294 22.736,1295 2.017,1297 17.348,1299 -2.975,1300 1.787,1301 -2.057,1303 9.321,1304 2.13,1305 50.244,1306 121.642,1307 319.692,1308 444.634,1309 469.753,1310 472.508,1311 472.508,1312 161.894,1313 9.078,1314 146.39,1315 146.39,1316 29,1317 13.595,1318 3.807,1319 3.585,1320 70.601,1321 175,1322 217,1323 0.196,1324 303.708,1325 570.04,1326 732.807,1327 112544,1329 31.104,1330 0.723,1331 0.581,1332 31.104,1333 24.962,1334 20.466,1335 0.435,1336 0.311,1337 14.402,1338 19.577,1339 13.948,1340 11.451,1341 20.466,1342 14.621,1343 19.244,1344 0.271,1345 0.173,1346 19.244,1347 12.292,1348 16.514,1349 0.16,1350 0.094,1351 16.514,1352 9.707,1353 14.5,1354 0.095,1355 0.05,1356 14.5,1357 7.656,1358 12.734,1359 0.058,1360 0.026,1361 12.734,1362 5.662,1363 0.295,1364 129.487,1365 0.183,1366 36.524,1367 0.586,1368 236,1369 724.003,1370 260.364,1371 678.246,1372 897.86,1373 630,1374 292,1375 627.54,1376 316.481,1377 632.996,1378 939.52,1379 592,1380 6.353}
{0 CHEMBL405230,1 1.458,2 13.233,3 1.404,4 1.971,5 160.949,6 6.728,8 4.58,9 4.692,10 4.053,11 4.058,12 5.565,13 4.032,14 5.23,15 5.409,16 4.502,17 4.551,18 6.181,19 4.504,20 5.591,21 5.788,22 4.718,23 4.842,24 6.549,25 4.768,26 5.798,27 6.014,28 4.817,29 4.963,30 6.734,31 4.875,32 5.899,33 6.115,34 4.918,35 4.975,36 6.978,37 4.905,38 5.89,39 6.095,40 4.893,41 4.948,42 7.058,43 4.888,44 5.871,45 6.074,46 4.769,47 4.905,48 7.062,49 4.818,50 5.852,51 6.107,52 4.524,53 4.775,54 6.883,55 4.648,56 0.061,57 1.232,58 21.278,59 9.219,60 17.449,61 12.217,62 0.588,63 2.142,64 42.926,65 15.866,66 61.221,67 21.994,68 0.78,69 2.931,70 62.032,71 22.747,72 104.389,73 31.704,74 0.843,75 3.385,76 77.063,77 27.667,78 115.569,79 38.582,80 1.672,81 3.49,82 87.659,83 28.613,84 204.123,85 39.981,86 1.931,87 3.433,88 87.835,89 26.995,90 260.368,91 37.608,92 1.955,93 3.333,94 86.136,95 26.714,96 286.196,97 37.27,98 1.859,99 3.076,100 85.616,101 25.134,102 240.574,103 36.511,104 90,105 74,106 0.22,107 0.501,108 0.763,109 0.858,110 0.858,111 0.858,112 3.789,113 0.999,114 -2.87,115 -2.88,116 -2.79,119 37.1,120 3,121 8,122 1,123 2,124 1,125 5,127 4,136 4,137 1,138 1,156 1,158 2,172 13,174 2,175 15,180 3,183 17,186 1,187 13,190 1,192 7,195 15,198 3,199 16,204 4,207 17,211 3,212 18,215 4,217 3,220 15,223 4,224 17,227 3,229 4,232 12,236 6,237 15,240 1,241 1,242 5,245 9,249 3,250 10,253 2,255 2,258 4,262 2,263 12,266 2,271 7,275 3821,276 28.528,277 28.528,278 28.528,279 28.528,280 28.528,281 27.486,282 40.264,283 16.222,284 29.134,285 23.585,286 23.585,287 23.585,288 23.585,289 23.585,290 21.683,291 55.628,292 7.54,293 24.474,294 5.017,295 3.147,296 1.405,297 0.776,298 0.776,299 0.776,300 4.492,305 1,306 1246,307 4.472,310 78.899,311 473.007,314 131.723,315 263.446,318 1.923,319 75.331,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 95,331 569,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.172,351 3.65,352 6.696,353 3.859,354 2.896,355 3.406,356 1.148,357 10.49,358 2.81,359 4.015,360 3.56,361 6.588,362 3.794,363 2.819,364 3.184,365 0.86,366 10.006,367 2.782,368 3.867,369 3.461,370 6.143,371 3.775,372 2.788,373 2.92,374 0.8,375 9.054,376 2.689,377 3.716,378 3.123,379 5.945,380 3.443,381 2.501,382 2.843,383 0.8,384 8.071,385 2.349,386 3.566,387 2.894,388 5.765,389 3.258,390 2.319,391 2.729,392 0.525,393 7.349,394 2.166,395 3.408,396 2.796,397 5.361,398 3.173,399 2.209,400 2.453,402 6.713,403 2.11,404 3.188,405 2.585,406 5.287,407 2.976,408 2.001,409 2.207,411 5.903,412 1.932,413 2.938,414 2.373,415 5.086,416 2.798,417 1.813,418 1.932,420 4.939,421 1.775,422 2.811,423 2.093,424 4.624,425 2.745,426 1.769,427 1.805,428 4.606,429 1.714,430 2.655,431 1.908,432 4.449,433 2.578,434 1.617,435 1.648,436 4.5,437 1.544,438 2.48,439 1.84,440 4.282,441 2.271,442 1.316,443 1.421,445 3.488,446 1.244,447 2.431,448 1.715,449 4.119,450 2.157,451 1.189,452 1.307,454 2.833,455 1.145,456 2.139,457 1.596,458 3.823,459 1.996,460 1.077,461 1.12,463 2.599,464 0.983,465 19.967,466 0.464,467 1.43,468 0.033,469 37.25,470 0.866,471 9,472 0.209,473 28.25,474 0.657,475 67.88,476 1.579,477 50.833,478 0.571,479 36.486,480 0.849,481 6.325,482 0.147,483 14.175,484 0.33,485 0.184,486 0.05,487 0.366,493 0.783,494 1.443,495 0.869,496 1.291,497 0.669,498 1.124,499 0.835,500 1.064,501 0.873,502 0.984,503 0.53,504 0.931,505 0.844,506 1.113,507 0.959,508 1.094,509 0.684,510 1.048,511 0.883,512 1.108,513 0.94,514 1.137,515 0.873,516 1.062,517 1.044,518 1.056,519 0.909,520 1.033,521 1.018,522 0.961,523 1.308,524 1.022,525 1.066,526 1.007,527 1.406,528 0.99,529 1.301,530 1.139,531 1.209,532 1.153,533 1.441,534 1.164,535 1.245,536 0.931,537 1.088,538 0.928,539 1.318,540 0.973,541 10.5,542 0.399,543 7.111,544 5.167,545 5.199,546 3.538,547 2.469,548 1.38,549 0.831,550 0.513,551 27291,552 60943,553 2.058,554 51.7,555 11,556 17,557 1,559 2,560 3,561 8,562 4,564 1.824,565 1.87,566 3.548,567 0.114,573 129.791,574 1.458,575 3.329,576 5.071,577 5.7,578 5.7,579 5.7,580 3.047,581 5.054,582 5.389,583 3.781,584 3414.69,585 9.587,586 56447.9,591 576.34,592 1.737,593 5.321,594 0.219,595 0.008,596 0.096,597 0.058,598 0.055,599 0.035,600 0.025,601 0.017,602 0.013,603 0.009,604 0.535,605 0.33,606 0.63,607 1.01,608 240.249,609 -0.04,610 -0.12,611 0.059,612 -0.026,613 -0.038,614 0.025,615 0.02,616 0.131,617 0.089,618 0.134,619 0.076,620 0.131,621 -0.004,622 0.023,623 -0.001,624 0.002,625 0.038,626 0.005,627 -0.008,628 -0.045,629 0.023,630 -0.074,631 -0.032,632 -0.027,633 0.096,634 -0.059,635 0.102,636 -0.02,637 0.057,638 0.033,639 0.001,640 -0.01,641 -0.023,642 -0.017,643 0.007,644 -0.022,645 -0.005,646 -0.131,647 -0.171,648 -0.157,649 0.005,650 -0.193,651 -0.055,652 -0.014,653 -0.061,654 -0.002,655 -0.068,656 -0.03,657 2.44,658 7.189,659 0.674,660 51.612,661 1.003,662 1.133,663 1.642,664 2.697,665 0.622,666 3.892,667 4.317,668 4.7,669 5.081,670 5.442,671 5.687,672 5.922,673 6.14,674 6.308,675 6.43,676 7.478,677 0.588,678 598.81,679 3.892,680 5.501,681 6.415,682 7.367,683 8.314,684 9.279,685 10.241,686 11.214,687 12.184,688 13.163,689 2.2,692 2,731 89,733 6,735 48,737 94,738 33,742 8,746 6,747 12,752 3,753 2,754 2,755 12,756 1,758 12,761 9,762 24,763 1,766 6,771 3,773 1,775 8,781 46,782 10,783 2,784 10,790 2,794 0.5,795 8,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 3,844 4,848 43,853 2,854 13,856 3,858 5,859 2,860 2,870 9,871 1,872 1,873 3,874 1,875 2,877 23,878 16.8,879 9.208,880 5.844,881 1.351,882 1.142,883 0.904,884 8.444,885 10.838,886 4.007,887 4.522,888 5.037,889 5.537,890 6.043,891 6.41,892 6.748,893 7.072,894 7.337,895 7.533,896 0.889,897 89,898 16.444,900 7.67,901 7.814,902 31.434,904 28.189,905 2.314,906 99.5,910 517.928,911 111.956,912 6.249,914 193.801,917 111.956,918 711.73,919 6.249,920 37.359,921 42.339,922 42.683,923 148.634,924 40.991,925 11.771,926 506.157,928 517.928,929 118.205,930 193.801,933 376.675,934 281.371,935 53.683,937 66.016,938 52.189,941 517.928,942 200.05,943 111.956,946 517.928,947 65.55,948 52.655,950 193.801,951 517.928,952 200.05,953 111.956,955 0.599,956 0.368,957 0.212,958 0.13,959 39,960 19,961 0.064,962 6,963 3,964 1.207,965 4.656,966 509.556,967 0.207,968 29,969 225.329,974 30.977,975 11.721,976 5.037,978 200.05,986 85.367,987 829.934,988 54,993 40.244,995 1.757,997 -0.853,999 89.261,1000 100.806,1001 0.225,1002 0.514,1003 0.783,1004 0.88,1005 0.88,1006 0.88,1007 5.371,1008 2.209,1009 6.482,1010 7.349,1011 5.004,1012 5.209,1013 3.138,1014 7.477,1015 4.943,1016 6.585,1017 2.001,1018 8.165,1019 6.713,1020 4.934,1021 5.231,1022 2.321,1023 8.952,1024 4.876,1025 7.946,1026 1.813,1027 9.969,1028 5.903,1029 6.812,1030 7.263,1031 4.242,1032 12.158,1033 6.72,1034 9.342,1035 1.769,1036 11.851,1037 4.939,1038 7.571,1039 8.102,1040 4.278,1041 14.494,1042 7.492,1043 10.78,1044 1.617,1045 13.784,1046 4.606,1047 9.016,1048 9.709,1049 5.713,1050 17.352,1051 8.917,1052 12.248,1053 1.316,1054 15.755,1055 4.5,1056 10.114,1057 10.892,1058 6.177,1059 19.98,1060 10.025,1061 13.739,1062 1.189,1063 17.754,1064 3.488,1065 11.444,1066 12.377,1067 7.348,1068 22.763,1069 11.344,1070 3.849,1071 1.077,1072 19.774,1073 2.833,1074 12.677,1075 13.71,1076 8.027,1077 25.487,1078 12.579,1079 3.575,1080 16.383,1081 21.81,1082 2.599,1083 13.985,1084 15.165,1085 9.063,1086 28.257,1087 13.882,1088 2.896,1089 14.589,1090 23.859,1091 4.407,1092 15.271,1093 16.568,1094 9.85,1095 31.013,1096 15.165,1097 2.819,1098 10.49,1099 25.918,1100 3.784,1101 16.582,1102 18.022,1103 10.818,1104 33.785,1105 16.471,1106 2.788,1107 10.006,1108 27.986,1109 3.406,1110 17.891,1111 19.459,1112 11.661,1113 36.555,1114 17.775,1115 2.501,1116 9.054,1117 30.059,1118 3.184,1119 19.209,1120 20.919,1121 12.594,1122 39.33,1123 19.088,1124 2.319,1125 8.071,1126 32.138,1127 2.92,1128 20.529,1129 22.374,1130 13.464,1131 42.107,1132 20.401,1133 25689,1134 38655,1135 31.035,1136 55.398,1137 75.483,1138 77.99,1139 79.794,1140 74.296,1141 74.263,1142 81.724,1143 16.524,1144 238.5,1145 71.773,1146 6.02,1147 6.181,1148 8.068,1149 5.935,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 26.071,1156 1.573,1157 1.625,1158 1.662,1159 1.548,1160 1.547,1161 1.703,1162 0.344,1163 4.969,1164 1.495,1165 4.134,1166 4.153,1167 4.086,1168 4.055,1169 7.437,1170 4.059,1171 3.934,1172 3.994,1173 3.836,1174 3.798,1175 7.431,1176 3.8,1177 3.865,1178 3.896,1179 3.775,1180 3.744,1181 7.427,1182 3.744,1183 3.716,1184 3.781,1185 3.581,1186 3.571,1187 6.46,1188 3.562,1189 3.577,1190 3.595,1191 3.49,1192 3.373,1193 6.448,1194 3.389,1195 3.514,1196 3.533,1197 3.441,1198 3.29,1199 4.715,1200 3.317,1201 3.443,1202 3.469,1203 3.344,1204 3.27,1205 4.558,1206 3.286,1207 3.31,1208 3.372,1209 3.158,1210 3.138,1211 4.456,1212 3.127,1213 0.105,1214 0.088,1215 0.172,1216 0.101,1217 0.08,1218 5.02,1219 0.092,1220 4.232,1221 0.051,1222 8.266,1223 0.341,1224 4.842,1225 0.08,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.12,1234 2.131,1235 1.521,1236 2.126,1237 1.892,1238 1.832,1239 2.09,1240 2.07,1241 1.469,1242 2.081,1243 1.774,1244 1.739,1245 1.97,1246 1.934,1247 1.324,1248 1.946,1249 1.702,1250 1.644,1251 1.904,1252 1.874,1253 1.26,1254 1.885,1255 1.584,1256 1.534,1257 1.828,1258 1.768,1259 1.187,1260 1.787,1261 1.44,1262 1.408,1263 1.696,1264 1.705,1265 0.827,1266 1.692,1267 1.416,1268 1.377,1269 1.659,1270 1.665,1271 0.825,1272 1.662,1273 1.338,1274 1.306,1275 1.568,1276 1.54,1277 0.825,1278 1.548,1279 4.575,1281 5.974,1282 2.398,1283 7.588,1284 4.844,1285 9.317,1286 7.034,1287 11.115,1289 6.62,1294 22.758,1295 10.905,1297 17.482,1299 -2.198,1300 4.682,1301 -1.896,1305 52.351,1306 129.791,1307 296.256,1308 451.321,1309 507.321,1310 507.321,1311 507.321,1312 141.759,1313 9.487,1314 125.84,1315 125.84,1316 35,1317 13.636,1318 2.807,1319 2.807,1320 63.467,1321 185,1322 263,1323 0.165,1324 310.952,1325 581.78,1326 750.482,1327 195321,1329 30.681,1330 0.714,1331 0.602,1332 30.681,1333 25.895,1334 20.5,1335 0.427,1336 0.333,1337 15.746,1338 19.554,1339 15.312,1340 12.503,1341 20.5,1342 15.987,1343 19.675,1344 0.266,1345 0.186,1346 19.675,1347 13.792,1348 17.365,1349 0.159,1350 0.104,1351 17.365,1352 11.374,1353 15.282,1354 0.096,1355 0.057,1356 15.282,1357 9.119,1358 13.477,1359 0.059,1360 0.03,1361 13.477,1362 6.932,1363 0.252,1364 129.915,1365 0.18,1366 36.945,1367 0.479,1368 244,1369 680.003,1370 270.085,1371 627.295,1372 841.49,1373 586,1374 305,1375 599.596,1376 331.646,1377 599.342,1378 902.25,1379 563,1380 7.201}
{0 CHEMBL405258,1 1.49,2 18.22,3 2.19,4 4.796,5 189.253,6 6.87,7 0.109,8 4.704,9 4.816,10 4.192,11 4.167,12 5.737,13 4.149,14 5.323,15 5.504,16 4.612,17 4.626,18 6.309,19 4.593,20 5.633,21 5.814,22 4.818,23 4.915,24 6.636,25 4.853,26 5.87,27 6.08,28 4.905,29 5.053,30 6.823,31 4.966,32 5.991,33 6.213,34 4.989,35 5.065,36 7.06,37 4.987,38 5.973,39 6.187,40 4.958,41 5.021,42 7.12,43 4.958,44 5.938,45 6.137,46 4.849,47 4.994,48 7.118,49 4.907,50 5.978,51 6.236,52 4.621,53 4.908,54 6.982,55 4.769,56 0.08,57 1.398,58 23.535,59 10.015,60 20.307,61 13.282,62 0.75,63 2.343,64 46.994,65 16.465,66 69.754,67 22.865,68 0.868,69 3.128,70 63.74,71 23.788,72 106.699,73 32.492,74 0.923,75 3.702,76 81.992,77 30.008,78 123.526,79 41.516,80 1.839,81 3.888,82 95.73,83 31.354,84 218.83,85 44.102,86 2.146,87 3.775,88 95.305,89 28.741,90 276.988,91 40.431,92 2.097,93 3.668,94 91.249,95 28.718,96 288.939,97 39.736,98 2.112,99 3.544,100 97.335,101 29.224,102 263.258,103 42.359,104 135,105 83,106 0.218,107 0.532,108 0.788,109 0.871,110 0.871,111 0.871,112 3.935,113 0.963,114 -2.63,115 -2.65,116 -2.58,119 37.6,120 3,121 4,122 1,123 2,124 3,125 7,127 3,136 4,137 1,138 1,142 4,144 2,156 1,158 2,172 13,174 2,175 15,180 3,183 17,186 2,187 16,190 1,192 7,195 17,198 3,199 16,204 4,207 12,211 4,212 21,215 4,217 3,220 12,223 4,224 15,227 3,229 4,232 11,236 7,237 14,240 1,241 1,242 4,245 9,249 4,250 9,253 2,255 2,258 3,262 2,263 13,266 2,271 2,275 6324,276 33.122,277 33.122,278 33.122,279 33.122,280 33.122,281 31.381,282 47.005,283 18.861,284 34.026,285 26.945,286 26.945,287 26.945,288 26.945,289 26.945,290 23.953,291 62.994,292 8.696,293 28.2,294 5.168,295 3.018,296 1.263,297 0.698,298 0.698,299 0.698,300 4.635,306 1981,307 5.244,310 103.392,311 648.071,314 173.892,315 349.968,318 2.46,319 79.924,322 0.5,323 0.33,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.59,330 110.5,331 911,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.834,354 2.89,355 3.691,356 1.148,357 10.485,358 2.803,359 4.142,360 3.56,361 6.588,362 3.829,363 2.847,364 3.404,365 0.86,366 10.001,367 2.777,368 4.015,369 3.461,370 6.149,371 3.788,372 2.789,373 3.184,374 0.86,375 9.079,376 2.726,377 3.721,378 3.153,379 5.941,380 3.457,381 2.521,382 2.942,383 0.8,384 8.029,385 2.356,386 3.702,387 2.893,388 5.762,389 3.43,390 2.485,391 2.897,392 0.8,393 7.319,394 2.335,395 3.565,396 2.833,397 5.361,398 3.254,399 2.326,400 2.73,401 0.8,402 6.99,403 2.154,404 3.45,405 2.759,406 5.354,407 3.188,408 2.237,409 2.501,410 0.525,411 6.697,412 2.122,413 3.348,414 2.674,415 5.27,416 3.132,417 2.193,418 2.401,420 6.11,421 2.034,422 3.157,423 2.552,424 5.102,425 2.964,426 1.988,427 2.171,428 5.725,429 1.921,430 2.916,431 2.372,432 4.984,433 2.764,434 1.784,435 1.909,436 4.939,437 1.729,438 2.704,439 2.089,440 4.624,441 2.578,442 1.617,443 1.724,445 4.604,446 1.544,447 2.655,448 1.841,449 4.344,450 2.471,451 1.522,452 1.648,454 4.134,455 1.438,456 2.5,457 1.751,458 4.282,459 2.27,460 1.315,461 1.5,463 3.488,464 1.244,465 23.2,466 0.464,467 1.604,468 0.032,469 49,470 0.98,471 16,472 0.32,473 33,474 0.66,475 74.029,476 1.481,477 58.4,478 0.578,479 50.759,480 1.015,481 9.349,482 0.187,483 14.477,484 0.29,485 0.201,486 0.043,487 0.353,493 0.812,494 1.499,495 0.854,496 1.306,497 0.692,498 1.119,499 0.969,500 0.97,501 0.871,502 0.875,503 0.583,504 0.84,505 0.908,506 1.111,507 0.998,508 1.114,509 0.756,510 1.074,511 0.878,512 1.149,513 0.968,514 1.179,515 0.922,516 1.106,517 0.976,518 1.08,519 0.918,520 1.057,521 1.029,522 0.992,523 1.279,524 0.99,525 1.056,526 0.964,527 1.433,528 0.961,529 1.288,530 1.147,531 1.259,532 1.19,533 1.45,534 1.215,535 1.167,536 0.959,537 1.091,538 0.964,539 1.294,540 1.013,541 12.5,542 0.374,543 8,544 5.479,545 5.511,546 3.906,547 2.633,548 1.372,549 0.934,550 0.604,551 47260,552 116755,553 2.026,554 50.5,555 9,556 30,557 1,559 2,560 3,561 4,562 2,564 1.851,565 1.84,566 3.946,567 0.087,573 150.48,574 1.49,575 3.64,576 5.395,577 5.96,578 5.96,579 5.96,580 3.468,581 5.364,582 5.604,583 4.232,584 5184.26,585 9.971,586 103074,591 672.479,592 1.724,593 5.537,594 0.227,595 0.007,596 0.096,597 0.055,598 0.053,599 0.036,600 0.025,601 0.015,602 0.014,603 0.01,604 0.539,605 0.33,606 0.5,607 1.023,608 299.921,609 -0.04,610 -0.195,611 0.06,612 -0.076,613 -0.05,614 -0.003,615 -0.029,616 0.208,617 0.099,618 0.201,619 0.064,620 0.187,621 -0.028,622 0.039,623 -0.046,624 -0.012,625 0.02,626 -0.026,627 -0.017,628 -0.088,629 -0.013,630 -0.108,631 -0.049,632 -0.067,633 0.099,634 -0.09,635 0.081,636 -0.048,637 0.054,638 0.003,639 -0.018,640 0.012,641 -0.02,642 0.008,644 -0.002,645 -0.03,646 -0.124,647 -0.231,648 -0.19,649 -0.006,650 -0.243,651 -0.043,652 -0.051,653 -0.073,654 -0.025,655 -0.068,656 -0.055,657 2.484,658 7.245,659 0.58,660 77.978,661 1.005,662 1.132,663 1.4,664 1.96,665 0.628,666 4.025,667 4.431,668 4.787,669 5.142,670 5.489,671 5.73,672 5.938,673 6.118,674 6.26,675 6.349,676 9.961,677 0.595,678 693.92,679 4.025,680 5.624,681 6.524,682 7.462,683 8.395,684 9.35,685 10.3,686 11.264,687 12.225,688 13.197,689 3,692 2,695 1,704 4,709 2,711 6,726 1,729 1,731 101,733 12,734 1,735 55,737 106,738 38,739 6,740 2,741 4,742 8,746 6,747 12,752 3,753 2,754 2,755 6,756 1,758 7,761 15,762 23,763 1,766 6,771 3,773 1,775 8,781 51,782 12,783 2,784 12,790 3,794 0.5,795 9,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 3,844 6,848 50,853 2,854 11,856 4,858 4,859 3,860 2,870 8.9,871 1,872 1,873 3,874 1,875 3,877 27.167,878 19.667,879 10.875,880 6.158,881 2.259,882 1.232,883 0.907,884 10.791,885 12.001,886 4.174,887 4.705,888 5.227,889 5.725,890 6.236,891 6.539,892 6.833,893 7.089,894 7.322,895 7.481,896 0.917,897 99,898 18.975,900 8.592,901 7.82,902 35.968,904 31.015,905 2.32,906 116,910 576.784,911 171.214,912 9.373,914 204.801,917 171.214,918 781.585,919 9.373,920 56.638,921 36.412,922 80.588,923 148.634,924 63.115,925 11.771,926 565.013,928 576.784,929 180.587,930 204.801,933 506.157,934 221.744,935 53.683,937 60.089,938 120.498,941 576.784,942 214.174,943 171.214,946 576.784,947 67.623,948 112.963,950 204.801,951 576.784,952 214.174,953 171.214,955 0.595,956 0.361,957 0.202,958 0.123,959 41,960 21,961 0.104,962 11,963 3,964 1.207,965 5.288,966 589.531,967 0.207,968 29,969 274.193,974 36.893,975 14.625,976 6.66,978 214.174,979 8.127,984 2.021,986 85.367,987 962.172,988 64,993 40.396,995 1.655,997 -1.155,999 101.458,1000 114.344,1001 0.224,1002 0.547,1003 0.81,1004 0.895,1005 0.895,1006 0.895,1007 5.511,1008 2.326,1009 6.581,1010 7.319,1011 5.118,1012 5.394,1013 3.239,1014 7.55,1015 5.044,1016 6.728,1017 2.237,1018 8.248,1019 6.99,1020 5.017,1021 5.366,1022 2.358,1023 8.986,1024 4.943,1025 8.079,1026 2.193,1027 10.036,1028 6.697,1029 6.899,1030 7.475,1031 4.264,1032 12.182,1033 6.789,1034 9.466,1035 1.988,1036 11.902,1037 6.11,1038 7.626,1039 8.242,1040 4.282,1041 14.502,1042 7.532,1043 10.894,1044 1.784,1045 13.823,1046 5.725,1047 9.068,1048 9.91,1049 5.716,1050 17.357,1051 8.954,1052 12.35,1053 1.617,1054 15.783,1055 4.939,1056 10.146,1057 11.025,1058 6.177,1059 19.982,1060 10.045,1061 13.83,1062 1.522,1063 17.773,1064 4.604,1065 11.471,1066 12.545,1067 7.348,1068 22.764,1069 11.361,1070 3.849,1071 1.315,1072 19.787,1073 4.134,1074 12.694,1075 13.827,1076 8.027,1077 25.487,1078 12.589,1079 3.575,1080 16.383,1081 21.819,1082 3.488,1083 13.998,1084 15.298,1085 9.063,1086 28.257,1087 13.889,1088 2.89,1089 14.589,1090 23.865,1091 4.407,1092 15.279,1093 16.665,1094 9.85,1095 31.013,1096 15.17,1097 2.847,1098 10.485,1099 25.923,1100 3.784,1101 16.589,1102 18.122,1103 10.818,1104 33.785,1105 16.475,1106 2.789,1107 10.001,1108 27.988,1109 3.691,1110 17.895,1111 19.535,1112 11.661,1113 36.555,1114 17.777,1115 2.521,1116 9.079,1117 30.061,1118 3.404,1119 19.212,1120 20.992,1121 12.594,1122 39.33,1123 19.089,1124 2.485,1125 8.029,1126 32.139,1127 3.184,1128 20.531,1129 22.431,1130 13.464,1131 42.107,1132 20.402,1133 44581,1134 70262,1135 35.312,1136 63.381,1137 85.43,1138 87.937,1139 90.939,1140 83.917,1141 83.923,1142 95.719,1143 19.844,1144 264.329,1145 80.502,1146 6.02,1147 6.232,1148 8.027,1149 5.934,1150 5.849,1151 7.407,1152 4.234,1153 25.386,1154 5.82,1155 32.869,1156 1.553,1157 1.599,1158 1.653,1159 1.526,1160 1.526,1161 1.74,1162 0.361,1163 4.806,1164 1.464,1165 4.134,1166 4.152,1167 4.086,1168 4.055,1169 7.437,1170 4.059,1171 3.96,1172 4.006,1173 3.892,1174 3.851,1175 7.431,1176 3.856,1177 3.884,1178 3.911,1179 3.812,1180 3.776,1181 7.427,1182 3.779,1183 3.775,1184 3.829,1185 3.665,1186 3.612,1187 6.46,1188 3.616,1189 3.643,1190 3.708,1191 3.541,1192 3.468,1193 6.448,1194 3.477,1195 3.569,1196 3.591,1197 3.477,1198 3.342,1199 4.874,1200 3.36,1201 3.514,1202 3.533,1203 3.432,1204 3.29,1205 4.712,1206 3.317,1207 3.424,1208 3.466,1209 3.309,1210 3.253,1211 4.557,1212 3.259,1213 0.091,1214 0.077,1215 0.15,1216 0.088,1217 0.07,1218 5.02,1219 0.08,1220 4.232,1221 0.045,1222 8.266,1223 0.298,1224 4.842,1225 0.069,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.913,1238 1.879,1239 2.049,1240 2.067,1241 1.348,1242 2.066,1243 1.784,1244 1.75,1245 1.955,1246 1.947,1247 1.267,1248 1.951,1249 1.736,1250 1.679,1251 1.912,1252 1.903,1253 1.189,1254 1.905,1255 1.609,1256 1.552,1257 1.839,1258 1.814,1259 1.175,1260 1.824,1261 1.571,1262 1.51,1263 1.82,1264 1.765,1265 1.021,1266 1.784,1267 1.436,1268 1.403,1269 1.696,1270 1.704,1271 0.837,1272 1.692,1273 1.411,1274 1.368,1275 1.664,1276 1.659,1277 0.825,1278 1.659,1279 4.71,1281 6.094,1282 2.398,1283 7.688,1284 4.844,1285 9.395,1286 7.034,1287 11.175,1289 10.086,1294 22.833,1295 7.369,1297 22.767,1299 -2.827,1300 6.691,1301 -1.964,1305 60.141,1306 150.48,1307 367.635,1308 544.93,1309 601.95,1310 601.95,1311 601.95,1312 168.673,1313 9.742,1314 138.31,1315 138.31,1316 35,1317 13.675,1318 3.7,1319 3.322,1320 80.796,1321 287,1322 432,1323 0.132,1324 360.922,1325 669.25,1326 872.409,1327 304146,1329 35.957,1330 0.719,1331 0.601,1332 35.957,1333 30.068,1334 23.826,1335 0.433,1336 0.321,1337 17.331,1338 22.61,1339 16.758,1340 13.773,1341 23.826,1342 17.649,1343 22.502,1344 0.271,1345 0.178,1346 22.502,1347 14.789,1348 19.562,1349 0.164,1350 0.099,1351 19.562,1352 11.801,1353 16.75,1354 0.099,1355 0.054,1356 16.75,1357 9.124,1358 14.472,1359 0.06,1360 0.028,1361 14.472,1362 6.678,1363 0.211,1364 151.681,1365 0.168,1366 42.807,1367 0.355,1368 276,1369 809.383,1370 306.712,1371 748.27,1372 1003.09,1373 700,1374 340,1375 712.254,1376 371.524,1377 716.573,1378 1065.71,1379 669,1380 7.824}
{0 CHEMBL406237,1 1.479,2 14.068,3 1.917,4 3.674,5 164.02,6 7.056,7 0.122,8 4.551,9 4.657,10 4.065,11 4.049,12 5.6,13 4.031,14 5.17,15 5.336,16 4.503,17 4.521,18 6.185,19 4.488,20 5.504,21 5.677,22 4.711,23 4.804,24 6.53,25 4.743,26 5.739,27 5.945,28 4.81,29 4.92,30 6.716,31 4.844,32 5.837,33 6.041,34 4.924,35 4.935,36 6.965,37 4.885,38 5.828,39 6.008,40 4.914,41 4.939,42 7.052,43 4.894,44 5.87,45 6.068,46 4.792,47 4.918,48 7.079,49 4.833,50 5.851,51 6.107,52 4.526,53 4.771,54 6.885,55 4.644,56 0.083,57 1.182,58 19.314,59 8.771,60 19.817,61 11.204,62 0.621,63 2.033,64 38.947,65 14.833,66 63.759,67 19.776,68 0.764,69 2.751,70 54.713,71 21.485,72 104.954,73 28.461,74 0.831,75 3.254,76 71.4,77 26.473,78 124.282,79 35.882,80 1.76,81 3.39,82 81.684,83 27.004,84 211.681,85 36.373,86 1.895,87 3.375,88 80.579,89 26.441,90 266.26,91 34.685,92 2.106,93 3.449,94 84.965,95 27.483,96 299.515,97 36.967,98 1.882,99 3.217,100 86.465,101 26.006,102 254.996,103 36.92,104 90,105 75,106 0.223,107 0.569,108 0.805,109 0.863,110 0.867,111 0.867,112 3.811,113 0.949,114 -2.82,115 -2.83,116 -2.74,119 39.5,120 3,121 3,122 1,123 2,124 1,125 6,127 3,136 4,137 1,138 1,142 5,143 1,156 1,158 2,172 17,174 2,175 10,180 3,183 21,186 2,187 14,190 1,192 7,195 18,198 2,199 18,204 4,207 11,211 3,212 21,215 4,217 3,220 11,223 4,224 13,227 3,229 4,232 10,236 8,237 16,240 1,241 1,242 3,245 6,249 1,250 10,253 3,255 2,258 3,262 3,263 9,266 1,271 5,275 4150,276 29.183,277 29.183,278 29.183,279 29.183,280 29.183,281 27.389,282 36.723,283 16.681,284 29.789,285 24.097,286 24.097,287 24.097,288 24.097,289 24.097,290 21.161,291 48.464,292 7.8,293 24.976,294 4.947,295 2.647,296 1.08,297 0.695,298 0.663,299 0.663,300 4.515,305 1,306 1354,307 4.583,310 82.327,311 498.916,314 137.61,315 275.423,318 2.029,319 75.115,322 0.75,323 0.5,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.83,330 97,331 619,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.171,351 3.65,352 6.696,353 3.841,354 2.864,355 3.457,356 1.148,357 10.49,358 2.806,359 4.015,360 3.56,361 6.588,362 3.789,363 2.79,364 3.406,365 0.916,366 10.006,367 2.78,368 3.94,369 3.461,370 5.948,371 3.655,372 2.701,373 3.184,374 0.86,375 8.1,376 2.59,377 3.735,378 3.062,379 5.767,380 3.457,381 2.504,382 2.906,383 0.8,384 7.747,385 2.37,386 3.575,387 2.891,388 5.607,389 3.34,390 2.378,391 2.73,392 0.525,393 7.34,394 2.267,395 3.539,396 2.779,397 5.361,398 3.179,399 2.213,400 2.61,401 0.172,402 6.785,403 2.121,404 3.265,405 2.595,406 5.301,407 3.01,408 2.066,409 2.325,411 5.981,412 1.945,413 3.117,414 2.375,415 5.089,416 2.926,417 1.966,418 2.163,420 5.755,421 1.865,422 2.919,423 2.331,424 4.945,425 2.76,426 1.782,427 1.959,428 4.939,429 1.724,430 2.818,431 2.088,432 4.624,433 2.578,434 1.617,435 1.871,436 4.604,437 1.544,438 2.655,439 1.841,440 4.282,441 2.413,442 1.42,443 1.648,445 3.488,446 1.408,447 2.5,448 1.718,449 4.121,450 2.268,451 1.31,452 1.5,454 3.049,455 1.242,456 2.469,457 1.607,458 3.824,459 2.027,460 1.105,461 1.416,463 2.737,464 1.005,465 20.467,466 0.465,467 1.447,468 0.033,469 43.75,470 0.994,471 15,472 0.341,473 28.75,474 0.653,475 62.779,476 1.427,477 50.333,478 0.585,479 44.08,480 1.002,481 8.298,482 0.189,483 12.685,484 0.288,485 0.179,486 0.049,487 0.357,493 0.787,494 1.364,495 0.825,496 1.211,497 0.682,498 1.054,499 0.873,500 0.972,501 0.851,502 0.903,503 0.563,504 0.863,505 0.867,506 1.121,507 0.989,508 1.131,509 0.739,510 1.088,511 0.901,512 1.149,513 0.927,514 1.142,515 0.908,516 1.059,517 1.122,518 1.002,519 0.924,520 0.976,521 1.075,522 0.92,523 1.358,524 1.089,525 1.128,526 1.073,527 1.481,528 1.058,529 1.254,530 1.14,531 1.224,532 1.157,533 1.406,534 1.184,535 1.205,536 0.957,537 1.081,538 0.934,539 1.254,540 0.978,541 11,542 0.374,543 6.667,544 5.167,545 5.439,546 3.358,547 2.509,548 1.445,549 0.786,550 0.504,551 29854,552 73903,553 2.057,554 48.8,555 9,556 23,557 1,559 2,560 3,561 4,564 1.828,565 1.872,566 3.619,567 0.103,573 127.208,574 1.479,575 3.78,576 5.346,577 5.731,578 5.763,579 5.763,580 3.155,581 4.988,582 5.42,583 3.867,584 3657.98,585 9.642,586 62219.3,591 552.659,592 1.728,593 5.356,594 0.224,595 0.008,596 0.089,597 0.058,598 0.057,599 0.032,600 0.025,601 0.017,602 0.012,603 0.009,604 0.533,605 0.33,606 0.63,607 0.998,608 248.795,609 -0.046,610 -0.116,611 0.053,612 -0.025,613 -0.054,614 0.023,615 0.004,616 0.189,617 0.087,618 0.171,619 0.061,620 0.156,621 -0.006,622 -0.007,623 -0.055,624 -0.05,625 0.016,626 -0.059,627 -0.011,628 -0.12,629 0.029,630 -0.103,631 -0.045,632 -0.041,633 0.07,634 -0.012,635 0.093,636 0.012,637 0.031,638 0.051,639 -0.023,640 -0.074,641 -0.099,642 -0.077,643 -0.035,644 -0.1,645 0.012,646 -0.149,647 -0.198,648 -0.178,649 -0.008,650 -0.227,651 -0.058,652 -0.046,653 -0.047,654 -0.012,655 -0.065,656 -0.027,657 2.465,658 7.186,659 0.659,660 56.558,661 1.006,662 1.128,663 1.592,664 2.536,665 0.638,666 3.912,667 4.331,668 4.7,669 5.081,670 5.442,671 5.68,672 5.916,673 6.14,674 6.301,675 6.417,676 7.879,677 0.608,678 606.78,679 3.912,680 5.517,681 6.425,682 7.373,683 8.315,684 9.278,685 10.237,686 11.209,687 12.177,688 13.156,689 2.3,692 2,704 5,709 1,711 6,731 86,733 12,734 1,735 49,737 91,738 34,739 6,740 1,741 5,742 8,746 6,747 12,752 3,753 2,754 2,755 6,756 1,758 6,761 15,762 19,763 1,766 6,771 3,773 1,775 8,781 42,782 10,783 2,784 10,790 2,794 0.5,795 8,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 3,844 4,848 44,853 2,854 9,856 3,858 4,859 2,860 2,870 9.3,871 1,872 1,873 3,874 1,875 2,877 23.5,878 16.383,879 9.431,880 5.281,881 2.212,882 1.232,883 0.914,884 8.398,885 11.741,886 4.078,887 4.62,888 5.146,889 5.662,890 6.175,891 6.467,892 6.798,893 7.125,894 7.378,895 7.587,896 1,897 89,898 16.752,900 7.761,901 7.86,902 31.612,904 27.801,905 2.36,906 103.833,910 470.844,911 151.956,912 6.249,914 193.801,917 151.956,918 664.645,919 6.249,920 37.359,921 31.772,922 90.065,923 148.634,924 44.176,925 11.771,926 459.073,928 470.844,929 158.204,930 193.801,933 423.76,934 187.202,935 53.683,937 55.449,938 102.756,941 470.844,942 200.05,943 151.956,946 470.844,947 58.169,948 100.036,950 193.801,951 470.844,952 200.05,953 151.956,955 0.597,956 0.362,957 0.209,958 0.128,959 39,960 19,961 0.077,962 7,963 3,964 1.207,965 4.769,966 519.414,967 0.207,968 29,969 229.46,974 31.189,975 11.847,976 5.203,978 200.05,979 10.256,984 1.232,986 85.367,987 822.85,988 58,993 40.233,995 1.709,997 -1.04,999 86.494,1000 96.976,1001 0.23,1002 0.588,1003 0.832,1004 0.892,1005 0.897,1006 0.897,1007 5.418,1008 2.213,1009 6.488,1010 7.34,1011 5.017,1012 5.308,1013 3.162,1014 7.474,1015 4.959,1016 6.642,1017 2.066,1018 8.164,1019 6.785,1020 4.934,1021 5.27,1022 2.321,1023 8.938,1024 4.88,1025 7.998,1026 1.966,1027 9.962,1028 5.981,1029 6.815,1030 7.395,1031 4.249,1032 12.145,1033 6.727,1034 9.39,1035 1.782,1036 11.838,1037 5.755,1038 7.561,1039 8.15,1040 4.28,1041 14.482,1042 7.489,1043 10.822,1044 1.617,1045 13.769,1046 4.939,1047 9.008,1048 9.833,1049 5.714,1050 17.343,1051 8.916,1052 12.283,1053 1.42,1054 15.739,1055 4.604,1056 10.101,1057 10.942,1058 6.177,1059 19.974,1060 10.019,1061 13.769,1062 1.31,1063 17.738,1064 3.488,1065 11.432,1066 12.474,1067 7.348,1068 22.759,1069 11.34,1070 3.849,1071 1.105,1072 19.759,1073 3.049,1074 12.664,1075 13.756,1076 8.027,1077 25.484,1078 12.574,1079 3.575,1080 16.383,1081 21.797,1082 2.737,1083 13.975,1084 15.235,1085 9.063,1086 28.255,1087 13.878,1088 2.864,1089 14.589,1090 23.848,1091 4.407,1092 15.261,1093 16.605,1094 9.85,1095 31.012,1096 15.161,1097 2.79,1098 10.49,1099 25.909,1100 3.784,1101 16.574,1102 18.069,1103 10.818,1104 33.784,1105 16.468,1106 2.701,1107 10.006,1108 27.978,1109 3.457,1110 17.884,1111 19.487,1112 11.661,1113 36.554,1114 17.773,1115 2.504,1116 8.1,1117 30.053,1118 3.406,1119 19.204,1120 20.949,1121 12.594,1122 39.33,1123 19.086,1124 2.378,1125 7.747,1126 32.133,1127 3.184,1128 20.524,1129 22.393,1130 13.464,1131 42.107,1132 20.4,1133 28099,1134 44365,1135 31.728,1136 54.875,1137 76.864,1138 79.075,1139 80.881,1140 75.434,1141 75.415,1142 87.025,1143 17.102,1144 240.248,1145 72.957,1146 6.02,1147 6.232,1148 8.068,1149 5.935,1150 5.849,1151 7.407,1152 4.234,1153 25.386,1154 5.82,1155 26.561,1156 1.569,1157 1.614,1158 1.651,1159 1.539,1160 1.539,1161 1.776,1162 0.349,1163 4.903,1164 1.489,1165 4.133,1166 4.151,1167 4.086,1168 4.055,1169 7.437,1170 4.059,1171 3.942,1172 3.988,1173 3.861,1174 3.859,1175 7.431,1176 3.853,1177 3.881,1178 3.906,1179 3.811,1180 3.777,1181 7.427,1182 3.781,1183 3.76,1184 3.816,1185 3.655,1186 3.593,1187 6.46,1188 3.601,1189 3.578,1190 3.595,1191 3.495,1192 3.367,1193 6.448,1194 3.386,1195 3.514,1196 3.534,1197 3.442,1198 3.29,1199 4.764,1200 3.317,1201 3.446,1202 3.475,1203 3.354,1204 3.264,1205 4.705,1206 3.282,1207 3.311,1208 3.373,1209 3.159,1210 3.138,1211 4.556,1212 3.128,1213 0.102,1214 0.086,1215 0.169,1216 0.099,1217 0.079,1218 5.02,1219 0.09,1220 4.232,1221 0.05,1222 8.266,1223 0.334,1224 4.842,1225 0.078,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.022,1233 2.117,1234 2.13,1235 1.521,1236 2.123,1237 1.922,1238 1.888,1239 2.06,1240 2.048,1241 1.323,1242 2.054,1243 1.792,1244 1.756,1245 1.956,1246 1.943,1247 1.259,1248 1.952,1249 1.706,1250 1.65,1251 1.897,1252 1.882,1253 1.187,1254 1.886,1255 1.583,1256 1.533,1257 1.827,1258 1.768,1259 1.11,1260 1.786,1261 1.438,1262 1.407,1263 1.696,1264 1.705,1265 0.825,1266 1.692,1267 1.414,1268 1.374,1269 1.658,1270 1.665,1271 0.82,1272 1.661,1273 1.337,1274 1.303,1275 1.565,1276 1.546,1277 0.775,1278 1.55,1279 4.595,1281 5.989,1282 2.398,1283 7.595,1284 4.844,1285 9.316,1286 7.034,1287 11.109,1289 6.57,1294 22.749,1295 5.021,1297 17.445,1299 -2.78,1300 4.373,1301 -1.934,1305 52.297,1306 127.208,1307 325.056,1308 459.765,1309 492.884,1310 495.639,1311 495.639,1312 142.16,1313 9.529,1314 125.84,1315 125.84,1316 35,1317 13.629,1318 3.7,1319 3.322,1320 65.85,1321 199,1322 290,1323 0.159,1324 311.762,1325 580.26,1326 752.458,1327 210068,1329 31.388,1330 0.713,1331 0.588,1332 31.388,1333 25.876,1334 20.983,1335 0.428,1336 0.316,1337 15.249,1338 20.037,1339 14.792,1340 12.102,1341 20.983,1342 15.493,1343 20.122,1344 0.268,1345 0.176,1346 20.122,1347 13.226,1348 17.515,1349 0.161,1350 0.097,1351 17.515,1352 10.624,1353 15.379,1354 0.096,1355 0.052,1356 15.379,1357 8.347,1358 13.606,1359 0.059,1360 0.027,1361 13.606,1362 6.289,1363 0.245,1364 132.851,1365 0.178,1366 37.862,1367 0.454,1368 248,1369 716.003,1370 273.752,1371 666.26,1372 893.08,1373 622,1374 308,1375 634.244,1376 334.535,1377 638.33,1378 954.82,1379 598,1380 7.06}
{0 CHEMBL406655,1 1.451,2 9,3 0.694,4 0.482,5 123.702,6 6.788,8 4.308,9 4.416,10 3.773,11 3.777,12 5.362,13 3.754,14 4.928,15 5.1,16 4.23,17 4.262,18 5.919,19 4.225,20 5.271,21 5.445,22 4.511,23 4.568,24 6.34,25 4.515,26 5.531,27 5.723,28 4.627,29 4.71,30 6.588,31 4.644,32 5.66,33 5.865,34 4.694,35 4.692,36 6.904,37 4.641,38 5.607,39 5.804,40 4.558,41 4.6,42 6.9,43 4.546,44 5.519,45 5.726,46 4.32,47 4.524,48 6.677,49 4.423,50 5.472,51 5.729,52 4.021,53 4.388,54 6.451,55 4.234,56 0.096,57 0.912,58 16.123,59 7.071,60 22.652,61 9.158,62 0.451,63 1.556,64 31.523,65 12.067,66 53.649,67 16.265,68 0.593,69 2.145,70 44.429,71 17.18,72 91.833,73 23.209,74 0.71,75 2.57,76 58.756,77 21.29,78 116.118,79 29.031,80 1.622,81 2.647,82 69.768,83 21.608,84 241.656,85 30.002,86 1.929,87 2.442,88 67.401,89 19.368,90 292.186,91 26.702,92 1.538,93 2.274,94 60.965,95 18.515,96 219.241,97 25.761,98 1.178,99 2.094,100 58.252,101 17.33,102 166.291,103 25.348,104 115,105 57,106 0.232,107 0.548,108 0.783,109 0.857,110 0.857,111 0.857,112 3.534,113 0.984,114 -2.06,115 -2.11,116 -2.09,119 36.8,120 4,121 3,122 1,123 2,124 1,125 3,127 3,136 4,137 1,138 1,156 1,158 1,172 11,174 1,175 7,180 5,183 15,186 1,187 9,190 1,192 10,195 15,198 2,199 10,204 8,207 12,211 1,212 12,215 5,216 1,217 6,220 10,223 3,224 10,227 3,228 1,229 4,232 8,236 2,237 8,240 2,241 1,242 4,245 6,250 8,253 1,255 1,258 2,263 6,266 1,268 2,271 4,275 1707,276 21.614,277 21.614,278 21.614,279 21.614,280 21.614,281 20.779,282 29.128,283 11.905,284 22.123,285 17.459,286 17.459,287 17.459,288 17.459,289 17.459,290 15.861,291 36.425,292 5.248,293 18.115,294 4.636,295 2.663,296 1.195,297 0.732,298 0.732,299 0.732,300 4.214,304 1,305 1,306 625,307 4.416,310 55.3,311 165.963,314 90.358,315 184.108,318 1.455,319 64.66,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 73.5,331 297,332 5.018,333 4.226,334 8.264,335 4.839,336 3.847,337 4.406,338 1.674,339 16.363,340 3.818,341 4.615,342 3.77,343 7.865,344 4.566,345 3.575,346 3.781,347 1.141,348 14.585,349 3.543,350 4.165,351 3.561,352 6.683,353 3.825,354 2.839,355 3.405,356 0.86,357 10.417,358 2.802,359 4.012,360 3.472,361 6.587,362 3.787,363 2.788,364 3.178,365 0.8,366 9.997,367 2.775,368 3.687,369 2.898,370 5.89,371 3.361,372 2.419,373 2.883,374 0.456,375 7.756,376 2.285,377 3.413,378 2.804,379 5.726,380 3.187,381 2.23,382 2.466,384 7.065,385 2.104,386 3.224,387 2.578,388 5.339,389 3.112,390 2.162,391 2.234,393 6.421,394 2.042,395 2.937,396 2.35,397 5.228,398 2.791,399 1.833,400 1.932,402 5.681,403 1.743,404 2.656,405 2.085,406 4.964,407 2.58,408 1.621,409 1.648,411 4.669,412 1.546,413 2.487,414 1.841,415 4.336,416 2.274,417 1.321,418 1.422,420 3.5,421 1.247,422 2.429,423 1.716,424 4.12,425 2.039,426 1.114,427 1.285,428 2.719,429 1.016,430 2.099,431 1.594,432 3.811,433 1.679,434 0.73,435 0.892,436 1.61,437 0.677,438 1.835,439 1.159,440 3.751,441 1.591,442 0.618,443 0.644,445 1.198,446 0.6,447 1.618,448 0.744,449 3.203,450 1.507,451 0.519,452 0.618,454 0.791,455 0.506,456 1.316,457 0.6,458 3.173,459 1.175,460 0.222,461 0.232,463 0.5,464 0.21,465 15.233,466 0.462,467 1.204,468 0.036,469 28.5,470 0.864,471 7.5,472 0.227,473 21,474 0.636,475 48.431,476 1.468,477 39.367,478 0.579,479 27.384,480 0.83,481 5.015,482 0.152,483 10.539,484 0.319,485 0.274,486 0.066,487 0.387,493 0.844,494 1.361,495 0.889,496 1.251,497 0.795,498 1.104,499 0.853,500 0.965,501 0.808,502 0.91,503 0.624,504 0.849,505 0.77,506 1.127,507 0.873,508 1.119,509 0.71,510 1.027,511 0.94,512 1.221,513 0.953,514 1.22,515 1.002,516 1.111,517 1.114,518 1.091,519 0.95,520 1.063,521 1.19,522 0.986,523 1.45,524 0.993,525 1.18,526 0.983,527 1.585,528 1.017,529 1.346,530 1.083,531 1.287,532 1.105,533 1.306,534 1.175,535 1.143,536 1.03,537 1.158,538 1.036,539 1.132,540 1.092,541 9,542 0.131,543 6.444,544 4.979,545 4.866,546 2.913,547 1.817,548 0.894,549 0.528,550 0.296,551 10955,552 27802,553 1.959,554 51.5,555 9,556 12,557 1,559 3,561 10,564 1.766,565 1.737,566 3.109,567 0.832,573 98.675,574 1.451,575 3.424,576 4.892,577 5.355,578 5.355,579 5.355,580 2.726,581 4.499,582 5.012,583 3.273,584 1728.08,585 8.858,586 23200.1,591 413.947,592 1.809,593 4.905,594 0.25,595 0.009,596 0.113,597 0.068,598 0.062,599 0.037,600 0.027,601 0.018,602 0.015,603 0.011,604 0.61,605 0.33,606 0.88,607 1.387,608 166.482,609 -0.074,610 -0.045,611 0.029,612 0.021,613 -0.094,614 0.042,615 -0.02,616 0.224,617 0.139,618 0.228,619 0.026,620 0.223,621 0.04,622 0.042,623 0.065,624 0.022,625 0.051,626 0.049,627 -0.023,628 -0.138,629 0.008,630 -0.132,631 -0.063,632 -0.067,633 0.091,634 -0.098,635 0.074,636 -0.069,637 0.067,638 -0.012,639 -0.038,640 -0.008,641 -0.116,642 -0.026,643 -0.028,644 -0.08,645 -0.103,646 -0.09,647 -0.258,648 -0.127,649 -0.075,650 -0.215,651 -0.119,652 -0.101,653 -0.163,654 -0.103,655 -0.12,656 -0.138,657 2.398,658 6.653,659 0.515,660 28.231,661 1.006,662 1.133,663 0.827,664 0.684,665 0.62,666 3.611,667 4.06,668 4.477,669 4.86,670 5.209,671 5.451,672 5.659,673 5.858,674 5.994,675 6.054,676 5.543,677 0.588,678 461.61,679 3.611,680 5.231,681 6.163,682 7.133,683 8.098,684 9.079,685 10.054,686 11.04,687 12.021,688 13.009,689 1.5,692 1,731 68,733 5,735 36,737 71,738 25,742 8,746 4,747 10,752 4,753 2,754 2,755 6,756 1,758 6,761 8,762 17,763 1,766 5,771 2,773 1,775 7,781 35,782 8,783 3,784 8,790 1,794 0.25,795 7,797 2,811 1,812 3,815 1,816 2,824 1,829 1,831 1,832 4,836 1,838 3,839 1,840 1,844 5,848 33,853 3,854 6,856 2,858 4,859 1,860 2,870 10.3,871 2,872 1,873 2,874 1,875 1,877 19,878 13.383,879 7.264,880 4.422,881 1.09,882 1.13,883 0.857,884 6.321,885 9.497,886 3.738,887 4.29,888 4.875,889 5.389,890 5.894,891 6.248,892 6.538,893 6.831,894 7.05,895 7.178,896 1,897 73,898 12.624,900 5.914,901 7.97,902 23.574,904 20.799,905 2.47,906 81.5,910 376.675,911 96.706,912 3.124,914 200.34,917 96.706,918 577.015,919 3.124,920 46.184,921 25.455,922 85.367,923 116.298,924 26.867,925 11.771,926 364.904,928 376.675,929 99.83,930 200.34,933 258.964,934 221.684,935 96.367,937 54.833,938 44.998,941 376.675,942 203.464,943 96.706,946 376.675,947 41.474,948 58.356,950 200.34,951 376.675,952 203.464,953 96.706,955 0.602,956 0.394,957 0.223,958 0.132,959 30,960 16,961 0.07,962 5,963 3,964 1.353,965 3.744,966 355.022,967 0.353,968 17,969 162.465,974 24.462,975 8.527,976 3.345,978 203.464,986 128.05,987 676.845,988 41,993 26.726,995 1.632,997 -0.528,999 68.414,1000 77.023,1001 0.238,1002 0.563,1003 0.804,1004 0.88,1005 0.88,1006 0.88,1007 5.112,1008 1.833,1009 6.26,1010 6.421,1011 4.745,1012 4.977,1013 2.49,1014 7.305,1015 4.691,1016 6.361,1017 1.621,1018 7.982,1019 5.681,1020 4.796,1021 5.094,1022 0.325,1023 8.874,1024 4.75,1025 7.75,1026 1.321,1027 9.823,1028 4.669,1029 6.621,1030 7.117,1031 3.08,1032 12.084,1033 6.551,1034 9.176,1035 1.114,1036 11.734,1037 3.5,1038 7.468,1039 8.017,1040 0.268,1041 14.456,1042 7.41,1043 10.641,1044 0.73,1045 13.691,1046 2.719,1047 8.893,1048 9.629,1049 3.924,1050 17.322,1051 8.821,1052 12.132,1053 0.618,1054 15.682,1055 1.61,1056 10.04,1057 10.842,1058 0.188,1059 19.961,1060 9.973,1061 13.642,1062 0.519,1063 17.696,1064 1.198,1065 11.369,1066 12.335,1067 4.876,1068 22.747,1069 11.294,1070 3.847,1071 0.222,1072 19.728,1073 0.791,1074 12.626,1075 13.683,1076 0.125,1077 25.473,1078 12.548,1079 3.575,1080 16.363,1081 21.774,1082 0.5,1083 13.939,1084 15.144,1085 5.873,1086 28.244,1087 13.854,1088 2.839,1089 14.585,1090 23.83,1091 4.406,1092 15.236,1093 16.553,1094 0.082,1095 31.001,1096 15.146,1097 2.788,1098 10.417,1099 25.895,1100 3.781,1101 16.552,1102 18.01,1103 6.89,1104 33.772,1105 16.455,1106 2.419,1107 9.997,1108 27.967,1109 3.405,1110 17.867,1111 19.449,1112 0.054,1113 36.541,1114 17.763,1115 2.23,1116 7.756,1117 30.044,1118 3.178,1119 19.188,1120 20.91,1121 7.915,1122 39.315,1123 19.077,1124 2.162,1125 7.065,1126 32.125,1127 2.883,1128 20.51,1129 22.366,1130 0.035,1131 42.091,1132 20.393,1133 10991,1134 17588,1135 22.194,1136 42.131,1137 56.859,1138 58.816,1139 62.879,1140 55.71,1141 55.674,1142 62.049,1143 9.862,1144 186.542,1145 53.829,1146 6.018,1147 6.173,1148 8.025,1149 5.931,1150 5.847,1151 7.169,1152 3.349,1153 25.358,1154 5.818,1155 22.902,1156 1.579,1157 1.634,1158 1.747,1159 1.548,1160 1.547,1161 1.724,1162 0.274,1163 5.182,1164 1.495,1165 4.125,1166 4.141,1167 4.078,1168 4.049,1169 7.434,1170 4.053,1171 3.884,1172 3.913,1173 3.812,1174 3.776,1175 7.427,1176 3.78,1177 3.692,1178 3.761,1179 3.575,1180 3.518,1181 6.462,1182 3.522,1183 3.519,1184 3.54,1185 3.434,1186 3.301,1187 6.452,1188 3.323,1189 3.443,1190 3.481,1191 3.326,1192 3.278,1193 6.444,1194 3.281,1195 3.347,1196 3.407,1197 3.224,1198 3.163,1199 4.7,1200 3.162,1201 3.306,1202 3.377,1203 3.04,1204 3.123,1205 4.5,1206 3.089,1207 3.226,1208 3.294,1209 3.036,1210 2.99,1211 4.339,1212 2.992,1213 0.139,1214 0.117,1215 0.23,1216 0.134,1217 0.107,1218 5.018,1219 0.122,1220 4.226,1221 0.047,1222 8.264,1223 0.455,1224 4.839,1225 0.106,1226 3.847,1227 4.406,1228 1.674,1229 16.363,1230 3.818,1231 2.031,1232 2.02,1233 2.116,1234 2.125,1235 1.515,1236 2.12,1237 1.778,1238 1.747,1239 1.948,1240 1.939,1241 1.268,1242 1.943,1243 1.649,1244 1.584,1245 1.887,1246 1.853,1247 1.188,1248 1.865,1249 1.578,1250 1.524,1251 1.827,1252 1.766,1253 1.123,1254 1.785,1255 1.401,1256 1.365,1257 1.725,1258 1.657,1259 0.869,1260 1.655,1261 1.351,1262 1.278,1263 1.656,1264 1.584,1265 0.811,1266 1.638,1267 1.315,1268 1.256,1269 1.547,1270 1.519,1271 0.732,1272 1.526,1273 1.195,1274 1.159,1275 1.509,1276 1.473,1277 0.62,1278 1.461,1279 4.29,1281 5.707,1282 2.398,1283 7.349,1284 4.844,1285 9.11,1286 7.034,1287 10.941,1289 9.087,1294 33.411,1295 2.696,1297 11.193,1299 -2.798,1300 1.893,1301 -1.811,1305 39.981,1306 98.675,1307 232.858,1308 332.663,1309 364.173,1310 364.173,1311 364.173,1312 125.605,1313 8.406,1314 116.53,1315 116.53,1316 23,1317 13.476,1318 2.585,1319 2.585,1320 53.613,1321 107,1322 122,1323 0.254,1324 241.136,1325 450.95,1326 580.133,1327 46672,1329 24.292,1330 0.736,1331 0.608,1332 24.292,1333 20.051,1334 15.554,1335 0.432,1336 0.328,1337 11.623,1338 14.833,1339 11.211,1340 9.22,1341 15.554,1342 11.808,1343 14.766,1344 0.259,1345 0.177,1346 14.766,1347 10.067,1348 13.703,1349 0.158,1350 0.098,1351 13.703,1352 8.491,1353 11.867,1354 0.093,1355 0.052,1356 11.867,1357 6.595,1358 10.187,1359 0.056,1360 0.026,1361 10.187,1362 4.686,1363 0.373,1364 98.848,1365 0.212,1366 29.004,1367 0.792,1368 186,1369 537.036,1370 205.242,1371 497.105,1372 662.61,1373 462,1374 237,1375 467.404,1376 257.492,1377 470.816,1378 712.82,1379 441,1380 5.105}
{0 CHEMBL407214,1 1.494,2 14.07,3 0.534,4 0.285,5 162.292,6 6.687,8 4.584,9 4.702,10 4.046,11 4.027,12 5.593,13 4.006,14 5.221,15 5.413,16 4.477,17 4.501,18 6.184,19 4.464,20 5.539,21 5.723,22 4.69,23 4.805,24 6.534,25 4.735,26 5.796,27 6.019,28 4.793,29 4.935,30 6.735,31 4.845,32 5.882,33 6.105,34 4.894,35 4.926,36 6.977,37 4.863,38 5.846,39 6.044,40 4.871,41 4.905,42 7.046,43 4.856,44 5.859,45 6.059,46 4.755,47 4.907,48 7.06,49 4.815,50 5.9,51 6.166,52 4.511,53 4.792,54 6.912,55 4.65,56 0.072,57 1.25,58 21.677,59 8.842,60 18.535,61 12.07,62 0.704,63 2.093,64 43.251,65 14.649,66 63.864,67 20.912,68 0.783,69 2.802,70 58.952,71 21.812,72 100.78,73 30.227,74 0.878,75 3.285,76 77.216,77 27.086,78 119.687,79 38.358,80 1.774,81 3.327,82 86.893,83 26.658,84 209.469,85 38.239,86 2.013,87 3.244,88 84.517,89 24.89,90 263.432,91 35.166,92 1.938,93 3.279,94 84.915,95 26.386,96 279.784,97 37.258,98 1.962,99 3.083,100 89.765,101 25.555,102 253.387,103 38.21,104 130,105 72,106 0.225,107 0.505,108 0.777,109 0.859,110 0.873,111 0.873,112 3.788,113 0.985,114 -1.96,115 -2.02,116 -2.01,119 35.6,120 3,121 4,122 1,123 2,124 3,125 7,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 12,211 3,212 19,215 4,217 3,220 12,223 4,224 13,227 3,229 4,232 11,236 7,237 14,240 1,241 1,242 4,245 7,249 3,250 9,253 2,255 2,258 1,262 2,263 11,266 2,271 2,275 4003,276 28.028,277 28.028,278 28.028,279 28.028,280 28.028,281 26.986,282 39.529,283 15.924,284 28.758,285 23.063,286 23.063,287 23.063,288 23.063,289 23.063,290 21.152,291 52.307,292 7.406,293 24.116,294 4.998,295 3.139,296 1.328,297 0.784,298 0.695,299 0.695,300 4.48,306 1300,307 5.05,310 80.906,311 379.04,314 135.231,315 271.985,318 1.982,319 74.954,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 95.5,331 605,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.83,354 2.847,355 3.404,356 1.148,357 10.485,358 2.803,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.001,367 2.777,368 3.721,369 3.461,370 5.941,371 3.543,372 2.621,373 2.897,374 0.8,375 8.029,376 2.414,377 3.62,378 2.947,379 5.762,380 3.437,381 2.49,382 2.73,383 0.8,384 7.319,385 2.344,386 3.565,387 2.892,388 5.413,389 3.206,390 2.264,391 2.621,392 0.8,393 7.156,394 2.134,395 3.366,396 2.754,397 5.361,398 3.159,399 2.204,400 2.417,401 0.525,402 6.117,403 2.074,404 3.173,405 2.564,406 5.102,407 3.004,408 2.089,409 2.186,411 5.765,412 1.932,413 3.087,414 2.471,415 4.991,416 2.953,417 1.984,418 2.089,420 5.649,421 1.88,422 2.912,423 2.372,424 4.883,425 2.763,426 1.783,427 1.905,428 4.939,429 1.728,430 2.656,431 2.089,432 4.624,433 2.578,434 1.617,435 1.648,436 4.604,437 1.544,438 2.495,439 1.841,440 4.282,441 2.272,442 1.318,443 1.427,445 3.488,446 1.245,447 2.436,448 1.72,449 4.116,450 2.148,451 1.178,452 1.321,454 2.838,455 1.136,456 2.121,457 1.61,458 3.823,459 1.967,460 1.04,461 1.064,463 2.294,464 0.965,465 19.867,466 0.462,467 1.523,468 0.035,469 37.5,470 0.872,471 9,472 0.209,473 28.5,474 0.663,475 66.088,476 1.537,477 51.533,478 0.573,479 39.278,480 0.913,481 7.001,482 0.163,483 13.321,484 0.31,485 0.235,486 0.05,487 0.362,493 0.806,494 1.59,495 0.882,496 1.371,497 0.688,498 1.173,499 0.923,500 0.939,501 0.869,502 0.865,503 0.553,504 0.835,505 0.873,506 1.147,507 1.009,508 1.18,509 0.738,510 1.126,511 0.858,512 1.122,513 0.908,514 1.158,515 0.88,516 1.063,517 1.078,518 1.028,519 0.894,520 1.004,521 1.044,522 0.926,523 1.397,524 1.008,525 1.11,526 1.002,527 1.5,528 0.996,529 1.242,530 1.189,531 1.245,532 1.248,533 1.407,534 1.253,535 1.168,536 0.946,537 1.051,538 0.944,539 1.256,540 0.978,541 11.5,542 0.337,543 7.111,544 5.229,545 5.328,546 3.538,547 2.432,548 1.34,549 0.893,550 0.523,551 26934,552 63494,553 1.993,554 52.2,555 9,556 26,557 1,559 2,560 3,561 4,562 2,564 1.823,565 1.792,566 3.598,567 0.137,573 134.446,574 1.494,575 3.353,576 5.164,577 5.708,578 5.797,579 5.797,580 3.164,581 5.147,582 5.385,583 3.853,584 3479.59,585 9.577,586 58496.9,591 584.267,592 1.769,593 5.306,594 0.245,595 0.007,596 0.099,597 0.061,598 0.058,599 0.036,600 0.025,601 0.017,602 0.015,603 0.01,604 0.572,605 0.33,606 0.63,607 1.041,608 241.727,609 -0.043,610 -0.222,611 0.057,612 -0.082,613 -0.051,614 -0.008,615 -0.016,616 0.271,617 0.112,618 0.234,619 0.071,620 0.215,621 -0.012,622 0.032,623 -0.05,624 -0.031,625 0.022,626 -0.043,627 0.006,628 -0.068,629 0.051,630 -0.078,631 -0.029,632 -0.014,633 0.086,634 -0.036,635 0.124,636 0.005,637 0.06,638 0.064,639 -0.035,640 0.024,641 -0.055,642 0.003,643 -0.01,644 -0.022,645 -0.001,646 -0.154,647 -0.218,648 -0.216,649 0.007,650 -0.257,651 -0.038,652 -0.056,653 -0.038,654 -0.016,655 -0.056,656 -0.029,657 2.46,658 7.131,659 0.535,660 55.736,661 1.004,662 1.137,663 0.733,664 0.538,665 0.616,666 3.871,667 4.29,668 4.644,669 5.017,670 5.375,671 5.62,672 5.832,673 6.035,674 6.18,675 6.261,676 7.803,677 0.582,678 601.82,679 3.871,680 5.476,681 6.378,682 7.327,683 8.267,684 9.232,685 10.191,686 11.165,687 12.134,688 13.115,689 3.3,692 3,731 90,733 6,735 47,737 94,738 32,742 8,746 5,747 11,752 3,753 2,754 2,755 6,756 1,758 7,761 9,762 23,763 1,766 6,771 3,773 1,775 8,781 47,782 11,783 2,784 11,790 3,794 0.4,795 8,797 1,811 1,812 4,815 1,816 2,824 1,829 2,831 1,832 4,836 3,838 2,839 1,840 2,844 6,848 43,853 2,854 11,856 3,858 4,859 3,860 2,870 8.9,871 1,872 1,873 3,874 1,875 2,877 24,878 17.667,879 9.264,880 5.544,881 1.284,882 1.141,883 0.89,884 9.307,885 10.393,886 3.989,887 4.5,888 4.997,889 5.493,890 5.999,891 6.356,892 6.675,893 6.975,894 7.215,895 7.368,896 1,897 86,898 16.396,900 7.49,901 7.853,902 31.056,904 26.984,905 2.353,906 101.167,910 529.7,911 122.822,912 9.373,914 193.801,917 122.822,918 723.501,919 9.373,920 54.151,921 36.412,922 42.683,923 148.634,924 44.115,925 11.771,926 517.928,928 529.7,929 132.195,930 193.801,933 459.073,934 210.745,935 53.683,937 63.213,938 68.982,941 529.7,942 203.174,943 122.822,946 529.7,947 59.623,948 72.572,950 193.801,951 529.7,952 203.174,953 122.822,955 0.599,956 0.359,957 0.203,958 0.127,959 36,960 19,961 0.096,962 9,963 3,964 1.261,965 4.636,966 492.114,967 0.261,968 23,969 229.329,974 32.332,975 12.378,976 5.641,978 203.174,986 85.367,987 855.696,988 53,993 40.054,995 1.658,997 -1.063,999 90.363,1000 102.305,1001 0.23,1002 0.517,1003 0.795,1004 0.879,1005 0.893,1006 0.893,1007 5.347,1008 2.204,1009 6.45,1010 7.156,1011 4.977,1012 5.187,1013 3.179,1014 7.44,1015 4.906,1016 6.567,1017 2.089,1018 8.132,1019 6.117,1020 4.934,1021 5.231,1022 2.358,1023 8.924,1024 4.868,1025 7.927,1026 1.984,1027 9.936,1028 5.765,1029 6.781,1030 7.244,1031 4.248,1032 12.128,1033 6.68,1034 9.322,1035 1.783,1036 11.817,1037 5.649,1038 7.55,1039 8.09,1040 4.282,1041 14.474,1042 7.469,1043 10.76,1044 1.617,1045 13.751,1046 4.939,1047 8.983,1048 9.693,1049 5.714,1050 17.338,1051 8.883,1052 12.226,1053 1.318,1054 15.725,1055 4.604,1056 10.089,1057 10.879,1058 6.177,1059 19.972,1060 10.002,1061 13.717,1062 1.178,1063 17.726,1064 3.488,1065 11.416,1066 12.365,1067 7.348,1068 22.758,1069 11.321,1070 3.849,1071 1.04,1072 19.75,1073 2.838,1074 12.654,1075 13.702,1076 8.027,1077 25.483,1078 12.563,1079 3.575,1080 16.383,1081 21.79,1082 2.294,1083 13.965,1084 15.158,1085 9.063,1086 28.255,1087 13.867,1088 2.847,1089 14.589,1090 23.843,1091 4.407,1092 15.254,1093 16.563,1094 9.85,1095 31.012,1096 15.155,1097 2.789,1098 10.485,1099 25.905,1100 3.784,1101 16.569,1102 18.018,1103 10.818,1104 33.784,1105 16.463,1106 2.621,1107 10.001,1108 27.975,1109 3.404,1110 17.88,1111 19.457,1112 11.661,1113 36.554,1114 17.769,1115 2.49,1116 8.029,1117 30.051,1118 3.184,1119 19.2,1120 20.916,1121 12.594,1122 39.33,1123 19.083,1124 2.264,1125 7.319,1126 32.131,1127 2.897,1128 20.522,1129 22.372,1130 13.464,1131 42.107,1132 20.398,1133 25985,1134 40133,1135 29.649,1136 55.404,1137 73.351,1138 75.84,1139 78.753,1140 72.139,1141 72.103,1142 79.55,1143 18.124,1144 230.477,1145 69.23,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 29.255,1156 1.561,1157 1.614,1158 1.676,1159 1.535,1160 1.534,1161 1.693,1162 0.386,1163 4.904,1164 1.473,1165 4.131,1166 4.148,1167 4.084,1168 4.053,1169 7.437,1170 4.057,1171 3.89,1172 3.948,1173 3.813,1174 3.776,1175 7.431,1176 3.78,1177 3.855,1178 3.9,1179 3.738,1180 3.663,1181 7.427,1182 3.671,1183 3.664,1184 3.733,1185 3.553,1186 3.486,1187 6.46,1188 3.493,1189 3.572,1190 3.592,1191 3.48,1192 3.349,1193 6.448,1194 3.366,1195 3.513,1196 3.533,1197 3.434,1198 3.29,1199 4.715,1200 3.317,1201 3.441,1202 3.494,1203 3.32,1204 3.263,1205 4.557,1206 3.271,1207 3.314,1208 3.383,1209 3.16,1210 3.14,1211 4.45,1212 3.13,1213 0.107,1214 0.09,1215 0.176,1216 0.103,1217 0.082,1218 5.02,1219 0.094,1220 4.232,1221 0.052,1222 8.266,1223 0.349,1224 4.842,1225 0.081,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.811,1238 1.755,1239 2.022,1240 2.034,1241 1.344,1242 2.037,1243 1.766,1244 1.72,1245 1.927,1246 1.928,1247 1.266,1248 1.928,1249 1.627,1250 1.564,1251 1.866,1252 1.838,1253 1.188,1254 1.849,1255 1.578,1256 1.52,1257 1.826,1258 1.766,1259 1.162,1260 1.785,1261 1.439,1262 1.405,1263 1.696,1264 1.704,1265 0.842,1266 1.692,1267 1.418,1268 1.373,1269 1.674,1270 1.667,1271 0.825,1272 1.669,1273 1.356,1274 1.313,1275 1.639,1276 1.6,1277 0.798,1278 1.616,1279 4.554,1281 5.948,1282 2.398,1283 7.55,1284 4.844,1285 9.27,1286 7.034,1287 11.066,1289 10.556,1294 22.671,1295 7.958,1297 17.383,1299 -2.763,1300 6.638,1301 -1.924,1305 52.372,1306 134.446,1307 301.787,1308 464.718,1309 513.737,1310 521.737,1311 521.737,1312 156.681,1313 9.109,1314 129.08,1315 129.08,1316 29,1317 13.587,1318 2.807,1319 2.807,1320 71.13,1321 191,1322 296,1323 0.179,1324 315.547,1325 587.84,1326 761.694,1327 124984,1329 31.267,1330 0.727,1331 0.613,1332 31.267,1333 26.35,1334 20.321,1335 0.432,1336 0.328,1337 15.155,1338 19.25,1339 14.612,1340 12.012,1341 20.321,1342 15.439,1343 19.658,1344 0.273,1345 0.186,1346 19.658,1347 13.407,1348 16.671,1349 0.162,1350 0.103,1351 16.671,1352 10.587,1353 14.352,1354 0.096,1355 0.054,1356 14.352,1357 8.172,1358 12.619,1359 0.059,1360 0.028,1361 12.619,1362 6.102,1363 0.275,1364 129.662,1365 0.184,1366 37.196,1367 0.511,1368 238,1369 693.648,1370 265.167,1371 639.624,1372 849.33,1373 596,1374 294,1375 595.653,1376 322.2,1377 599.583,1378 894.96,1379 558,1380 8}
{0 CHEMBL407215,1 1.492,2 13.262,3 0.265,4 0.07,5 155.316,6 6.846,8 4.546,9 4.655,10 4.027,11 3.989,12 5.573,13 3.976,14 5.182,15 5.36,16 4.455,17 4.459,18 6.174,19 4.429,20 5.497,21 5.675,22 4.666,23 4.753,24 6.514,25 4.693,26 5.73,27 5.941,28 4.776,29 4.889,30 6.698,31 4.811,32 5.841,33 6.051,34 4.885,35 4.898,36 6.963,37 4.843,38 5.83,39 6.027,40 4.862,41 4.881,42 7.041,43 4.837,44 5.828,45 6.02,46 4.745,47 4.877,48 7.05,49 4.792,50 5.87,51 6.131,52 4.496,53 4.76,54 6.899,55 4.625,56 0.109,57 1.171,58 20.306,59 8.661,60 19.457,61 11.392,62 0.775,63 1.963,64 41.237,65 14.421,66 69.237,67 19.806,68 0.941,69 2.636,70 56.167,71 20.749,72 108.255,73 28.268,74 0.963,75 3.113,76 71.818,77 25.613,78 121.239,79 35.63,80 1.871,81 3.22,82 83.089,83 26.042,84 213.408,85 36.589,86 2.182,87 3.182,88 83.071,89 24.47,90 273.167,91 34.127,92 2.094,93 3.187,94 82.061,95 25.586,96 285.953,97 35.649,98 2.11,99 3.009,100 87.937,101 25.01,102 262.368,103 37.015,104 109,105 70,106 0.227,107 0.522,108 0.801,109 0.874,110 0.874,111 0.874,112 3.766,113 0.974,114 -1.78,115 -1.84,116 -1.85,119 36,120 3,121 4,122 1,123 2,124 2,125 7,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 12,211 3,212 19,215 4,217 3,220 12,223 4,224 13,227 3,229 4,232 11,236 7,237 14,240 1,241 1,242 4,245 7,249 3,250 9,253 2,255 2,258 1,262 2,263 11,266 2,271 2,275 3724,276 27.58,277 27.58,278 27.58,279 27.58,280 27.58,281 26.538,282 37.878,283 15.838,284 28.352,285 22.597,286 22.597,287 22.597,288 22.597,289 22.597,290 20.685,291 48.633,292 7.37,293 23.701,294 4.934,295 2.99,296 1.154,297 0.672,298 0.672,299 0.672,300 4.458,306 1198,307 5,310 77.66,311 365.143,314 129.691,315 260.933,318 1.941,319 77.366,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 94,331 557,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.83,354 2.847,355 3.404,356 1.148,357 10.485,358 2.803,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.001,367 2.777,368 3.721,369 3.461,370 5.941,371 3.457,372 2.534,373 2.897,374 0.86,375 8.029,376 2.352,377 3.566,378 2.897,379 5.762,380 3.423,381 2.482,382 2.73,383 0.8,384 7.319,385 2.309,386 3.527,387 2.886,388 5.361,389 3.197,390 2.249,391 2.532,392 0.8,393 6.97,394 2.13,395 3.356,396 2.749,397 5.342,398 3.145,399 2.198,400 2.406,401 0.525,402 6.111,403 2.05,404 3.158,405 2.557,406 5.102,407 2.965,408 1.989,409 2.171,411 5.725,412 1.922,413 2.916,414 2.372,415 4.984,416 2.764,417 1.784,418 1.908,420 4.939,421 1.73,422 2.656,423 2.166,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.578,431 2.088,432 4.282,433 2.432,434 1.543,435 1.559,436 3.488,437 1.368,438 2.461,439 1.841,440 4.117,441 2.268,442 1.313,443 1.416,445 3.236,446 1.242,447 2.418,448 1.719,449 3.824,450 2.074,451 1.139,452 1.291,454 2.768,455 1.051,456 2.115,457 1.608,458 3.769,459 1.952,460 1,461 1.015,463 2.156,464 0.946,465 19.3,466 0.46,467 1.416,468 0.034,469 36.75,470 0.875,471 9,472 0.214,473 27.75,474 0.661,475 63.602,476 1.514,477 50.3,478 0.585,479 38.306,480 0.912,481 6.888,482 0.164,483 13.039,484 0.31,485 0.216,486 0.052,487 0.352,493 0.809,494 1.523,495 0.855,496 1.358,497 0.692,498 1.15,499 0.96,500 0.958,501 0.874,502 0.896,503 0.586,504 0.855,505 0.887,506 1.128,507 0.987,508 1.131,509 0.752,510 1.086,511 0.833,512 1.134,513 0.908,514 1.163,515 0.892,516 1.07,517 1.032,518 1.078,519 0.906,520 1.042,521 1.042,522 0.963,523 1.311,524 0.998,525 1.091,526 0.979,527 1.452,528 0.981,529 1.183,530 1.214,531 1.249,532 1.249,533 1.385,534 1.266,535 1.099,536 0.938,537 1.047,538 0.94,539 1.228,540 0.981,541 10.5,542 0.321,543 6.667,544 5.167,545 5.137,546 3.483,547 2.391,548 1.316,549 0.844,550 0.512,551 24915,552 63351,553 2.006,554 51.2,555 9,556 23,557 1,559 2,560 3,561 4,562 2,564 1.819,565 1.813,566 3.531,567 0.149,573 128.334,574 1.492,575 3.436,576 5.272,577 5.754,578 5.754,579 5.754,580 3.055,581 5.154,582 5.351,583 3.784,584 3257.76,585 9.517,586 53495.7,591 552.659,592 1.761,593 5.278,594 0.228,595 0.007,596 0.095,597 0.062,598 0.056,599 0.036,600 0.025,601 0.017,602 0.014,603 0.01,604 0.55,605 0.33,606 0.63,607 1.04,608 233.611,609 -0.049,610 -0.178,611 0.055,612 -0.075,613 -0.052,615 -0.033,616 0.231,617 0.093,618 0.21,619 0.056,620 0.192,621 -0.021,622 0.034,623 -0.04,624 0.002,625 0.014,626 -0.018,627 -0.005,628 -0.058,629 0.038,630 -0.078,631 -0.038,632 -0.02,633 0.067,634 -0.073,635 0.098,636 -0.024,637 0.045,638 0.034,639 -0.05,640 0.032,641 -0.054,642 0.014,643 -0.023,644 -0.014,645 -0.014,646 -0.173,647 -0.237,648 -0.222,649 -0.009,650 -0.274,651 -0.041,652 -0.038,653 -0.039,654 -0.015,655 -0.059,656 -0.028,657 2.466,658 7.101,659 0.548,660 52.381,661 1.008,662 1.135,663 0.545,664 0.297,665 0.617,666 3.85,667 4.263,668 4.625,669 5.004,670 5.357,671 5.606,672 5.826,673 6.031,674 6.172,675 6.258,676 7.494,677 0.588,678 588.77,679 3.85,680 5.451,681 6.354,682 7.303,683 8.245,684 9.211,685 10.172,686 11.148,687 12.119,688 13.101,689 2.3,692 2,731 86,733 6,735 46,737 90,738 31,742 8,746 5,747 11,752 3,753 2,754 2,755 6,756 1,758 7,761 9,762 22,763 1,766 6,771 3,773 1,775 8,781 44,782 11,783 2,784 11,790 2,794 0.4,795 9,797 1,811 1,812 4,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 2,840 2,844 5,848 42,853 2,854 11,856 4,858 4,859 2,860 2,870 10.5,871 1,872 1,873 3,874 2,875 2,877 23.167,878 16.633,879 9.097,880 5.311,881 1.27,882 1.14,883 0.887,884 9.066,885 10.315,886 3.97,887 4.477,888 4.984,889 5.485,890 5.989,891 6.349,892 6.672,893 6.974,894 7.212,895 7.366,896 0.889,897 84,898 16.02,900 7.35,901 7.897,902 30.177,904 26.202,905 2.397,906 100.667,910 494.386,911 119.399,912 6.249,914 204.801,917 119.399,918 699.187,919 6.249,920 45.755,921 41.386,922 42.683,923 159.634,924 40.991,925 11.771,926 482.615,928 494.386,929 125.648,930 204.801,933 423.76,934 210.745,935 64.683,937 65.062,938 60.585,941 494.386,942 211.05,943 119.399,946 494.386,947 64.597,948 61.051,950 204.801,951 494.386,952 211.05,953 119.399,955 0.595,956 0.359,957 0.207,958 0.127,959 35,960 18,961 0.1,962 9,963 3,964 1.261,965 4.571,966 478.984,967 0.261,968 23,969 222.477,974 31.363,975 12.14,976 5.43,978 211.05,986 85.367,987 824.835,988 52,993 39.963,995 1.639,997 -1.129,999 86.705,1000 97.6,1001 0.232,1002 0.535,1003 0.82,1004 0.895,1005 0.895,1006 0.895,1007 5.323,1008 2.198,1009 6.422,1010 6.97,1011 4.949,1012 5.165,1013 3.201,1014 7.415,1015 4.876,1016 6.54,1017 1.989,1018 8.104,1019 6.111,1020 4.89,1021 5.198,1022 2.321,1023 8.909,1024 4.834,1025 7.9,1026 1.784,1027 9.911,1028 5.725,1029 6.753,1030 7.226,1031 4.257,1032 12.119,1033 6.655,1034 9.298,1035 1.617,1036 11.797,1037 4.939,1038 7.523,1039 8.074,1040 4.278,1041 14.471,1042 7.451,1043 10.738,1044 1.543,1045 13.736,1046 4.604,1047 8.965,1048 9.684,1049 5.715,1050 17.336,1051 8.868,1052 12.209,1053 1.313,1054 15.714,1055 3.488,1056 10.074,1057 10.873,1058 6.177,1059 19.971,1060 9.994,1061 13.703,1062 1.139,1063 17.719,1064 3.236,1065 11.406,1066 12.361,1067 7.348,1068 22.757,1069 11.314,1070 3.849,1071 1,1072 19.745,1073 2.768,1074 12.647,1075 13.699,1076 8.027,1077 25.483,1078 12.559,1079 3.575,1080 16.383,1081 21.786,1082 2.156,1083 13.959,1084 15.157,1085 9.063,1086 28.255,1087 13.864,1088 2.847,1089 14.589,1090 23.84,1091 4.407,1092 15.25,1093 16.562,1094 9.85,1095 31.012,1096 15.153,1097 2.789,1098 10.485,1099 25.903,1100 3.784,1101 16.566,1102 18.018,1103 10.818,1104 33.784,1105 16.461,1106 2.534,1107 10.001,1108 27.974,1109 3.404,1110 17.878,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.482,1116 8.029,1117 30.05,1118 3.184,1119 19.199,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.249,1125 7.319,1126 32.131,1127 2.897,1128 20.521,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 23990,1134 38392,1135 29.244,1136 53.091,1137 71.726,1138 74.365,1139 76.41,1140 70.437,1141 70.429,1142 77.877,1143 18.244,1144 224.063,1145 67.463,1146 6.02,1147 6.18,1148 8.068,1149 5.945,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 27.075,1156 1.559,1157 1.617,1158 1.661,1159 1.531,1160 1.531,1161 1.693,1162 0.397,1163 4.871,1164 1.467,1165 4.13,1166 4.147,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.887,1172 3.923,1173 3.813,1174 3.776,1175 7.431,1176 3.78,1177 3.824,1178 3.877,1179 3.703,1180 3.625,1181 7.427,1182 3.634,1183 3.647,1184 3.709,1185 3.542,1186 3.462,1187 6.46,1188 3.473,1189 3.569,1190 3.59,1191 3.476,1192 3.337,1193 6.448,1194 3.357,1195 3.513,1196 3.532,1197 3.432,1198 3.289,1199 4.717,1200 3.317,1201 3.418,1202 3.455,1203 3.299,1204 3.246,1205 4.626,1206 3.251,1207 3.311,1208 3.375,1209 3.158,1210 3.138,1211 4.555,1212 3.127,1213 0.109,1214 0.092,1215 0.18,1216 0.105,1217 0.084,1218 5.02,1219 0.096,1220 4.232,1221 0.053,1222 8.266,1223 0.356,1224 4.842,1225 0.083,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.79,1238 1.752,1239 1.992,1240 2.003,1241 1.308,1242 2.003,1243 1.746,1244 1.693,1245 1.919,1246 1.922,1247 1.263,1248 1.919,1249 1.607,1250 1.552,1251 1.842,1252 1.822,1253 1.187,1254 1.831,1255 1.569,1256 1.509,1257 1.821,1258 1.766,1259 1.112,1260 1.784,1261 1.435,1262 1.403,1263 1.696,1264 1.704,1265 0.834,1266 1.692,1267 1.408,1268 1.367,1269 1.662,1270 1.659,1271 0.825,1272 1.658,1273 1.342,1274 1.301,1275 1.624,1276 1.562,1277 0.794,1278 1.583,1279 4.533,1281 5.922,1282 2.398,1283 7.523,1284 4.844,1285 9.245,1286 7.034,1287 11.044,1289 8.385,1294 22.626,1295 6.93,1297 22.76,1299 -2.781,1300 4.206,1301 -1.934,1305 50.539,1306 128.334,1307 295.489,1308 453.375,1309 494.884,1310 494.884,1311 494.884,1312 152.58,1313 9.045,1314 135.07,1315 135.07,1316 29,1317 13.573,1318 2.807,1319 2.807,1320 68.473,1321 179,1322 266,1323 0.184,1324 303.156,1325 568.33,1326 731.462,1327 114137,1329 30.397,1330 0.724,1331 0.603,1332 30.397,1333 25.312,1334 19.928,1335 0.433,1336 0.325,1337 14.65,1338 18.824,1339 14.184,1340 11.604,1341 19.928,1342 14.937,1343 19.036,1344 0.272,1345 0.182,1346 19.036,1347 12.716,1348 16.26,1349 0.161,1350 0.1,1351 16.26,1352 10.094,1353 14.21,1354 0.096,1355 0.054,1356 14.21,1357 7.926,1358 12.335,1359 0.058,1360 0.027,1361 12.335,1362 5.775,1363 0.281,1364 127.602,1365 0.185,1366 36.388,1367 0.532,1368 232,1369 711.738,1370 260.298,1371 648.984,1372 858.89,1373 606,1374 287,1375 596.528,1376 315.749,1377 596.753,1378 893.39,1379 557,1380 7.62}
{0 CHEMBL408074,1 1.503,2 15.739,3 0.222,4 0.049,5 171.366,6 6.777,8 4.649,9 4.762,10 4.127,11 4.091,12 5.641,13 4.075,14 5.296,15 5.48,16 4.552,17 4.567,18 6.254,19 4.533,20 5.622,21 5.815,22 4.748,23 4.861,24 6.59,25 4.792,26 5.832,27 6.05,28 4.835,29 4.986,30 6.759,31 4.894,32 5.938,33 6.163,34 4.939,35 4.983,36 7.003,37 4.916,38 5.905,39 6.107,40 4.938,41 4.96,42 7.078,43 4.913,44 5.916,45 6.115,46 4.846,47 4.966,48 7.102,49 4.884,50 5.946,51 6.201,52 4.611,53 4.882,54 6.938,55 4.745,56 0.094,57 1.324,58 22.786,59 9.42,60 18.189,61 12.684,62 0.8,63 2.24,64 46.441,65 15.666,66 68.165,67 22.133,68 1.032,69 2.995,70 64.226,71 22.997,72 108.63,73 32.023,74 0.94,75 3.45,76 79.564,77 28.456,78 117.878,79 40.06,80 1.909,81 3.532,82 91.651,83 28.469,84 212.117,85 40.745,86 2.128,87 3.464,88 89.343,89 26.261,90 263.651,91 37.25,92 2.308,93 3.495,94 90.12,95 27.466,96 289.695,97 38.723,98 1.916,99 3.36,100 93.392,101 27.582,102 240.396,103 40.896,104 90,105 77,106 0.223,107 0.492,108 0.754,109 0.853,110 0.856,111 0.862,112 3.854,113 0.986,114 -1.61,115 -1.69,116 -1.72,119 35.8,120 3,121 4,122 1,123 2,124 1,125 11,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 3,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 11,211 3,212 21,215 4,217 3,220 11,223 4,224 11,227 3,229 4,232 10,236 10,237 14,240 1,241 1,242 3,245 6,249 1,250 9,253 3,255 2,258 1,262 3,263 10,266 1,271 1,275 4944,276 30.597,277 30.597,278 30.597,279 30.597,280 30.597,281 29.555,282 43.468,283 17.615,284 31.488,285 25.08,286 25.08,287 25.08,288 25.08,289 25.08,290 23.178,291 57.383,292 8.234,293 26.378,294 5.067,295 3.259,296 1.5,297 0.832,298 0.811,299 0.769,300 4.557,306 1580,307 4.796,310 89.346,311 550.375,314 149.711,315 300.2,318 2.284,319 79.931,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.71,330 102.5,331 724,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.171,351 3.65,352 6.696,353 3.84,354 2.862,355 3.406,356 1.148,357 10.49,358 2.806,359 4.015,360 3.56,361 6.588,362 3.789,363 2.79,364 3.184,365 0.86,366 10.006,367 2.779,368 3.744,369 3.461,370 5.948,371 3.56,372 2.632,373 2.907,374 0.86,375 8.09,376 2.437,377 3.611,378 2.992,379 5.766,380 3.439,381 2.518,382 2.731,383 0.8,384 7.413,385 2.329,386 3.561,387 2.89,388 5.469,389 3.392,390 2.446,391 2.635,392 0.8,393 7.196,394 2.285,395 3.511,396 2.877,397 5.36,398 3.182,399 2.218,400 2.516,401 0.8,402 6.957,403 2.123,404 3.283,405 2.666,406 5.338,407 3.07,408 2.146,409 2.32,410 0.525,411 6.308,412 1.975,413 3.126,414 2.515,415 5.125,416 2.955,417 1.983,418 2.134,420 5.869,421 1.907,422 2.911,423 2.372,424 5.07,425 2.763,426 1.783,427 1.903,428 4.939,429 1.727,430 2.656,431 2.165,432 4.624,433 2.578,434 1.617,435 1.648,436 4.604,437 1.544,438 2.56,439 2.089,440 4.282,441 2.44,442 1.549,443 1.553,445 3.488,446 1.377,447 2.472,448 1.841,449 4.121,450 2.269,451 1.313,452 1.418,454 3.24,455 1.242,456 2.426,457 1.719,458 3.824,459 2.068,460 1.132,461 1.285,463 2.771,464 1.046,465 21.2,466 0.461,467 1.447,468 0.031,469 40,470 0.87,471 9,472 0.196,473 31,474 0.674,475 70.881,476 1.541,477 55,478 0.579,479 40.948,480 0.89,481 7.421,482 0.161,483 14.562,484 0.317,485 0.173,486 0.047,487 0.34,493 0.812,494 1.577,495 0.861,496 1.368,497 0.679,498 1.157,499 0.985,500 1.019,501 0.915,502 0.923,503 0.581,504 0.889,505 0.889,506 1.065,507 1.004,508 1.093,509 0.727,510 1.069,511 0.809,512 1.155,513 0.924,514 1.195,515 0.876,516 1.103,517 1.012,518 1.028,519 0.877,520 1,521 1.03,522 0.926,523 1.305,524 1.034,525 1.066,526 1.002,527 1.463,528 0.983,529 1.228,530 1.107,531 1.224,532 1.159,533 1.444,534 1.189,535 1.077,536 1.064,537 1.071,538 1.055,539 1.213,540 1.067,541 11,542 0.337,543 6.889,544 5.042,545 5.279,546 3.524,547 2.511,548 1.396,549 0.855,550 0.501,551 35572,552 85036,553 2.054,554 51.6,555 9,556 28,557 1,559 2,560 3,561 4,562 2,564 1.836,565 1.878,566 3.746,567 0.127,573 142.758,574 1.503,575 3.311,576 5.07,577 5.738,578 5.759,579 5.801,580 3.311,581 5.089,582 5.48,583 4.026,584 4166.91,585 9.748,586 75216.5,591 624.136,592 1.707,593 5.424,594 0.216,595 0.007,596 0.089,597 0.055,598 0.055,599 0.034,600 0.024,601 0.016,602 0.013,603 0.009,604 0.519,605 0.33,606 0.63,607 0.974,608 266.174,609 -0.044,610 -0.217,611 0.065,612 -0.084,613 -0.041,614 -0.003,615 -0.047,616 0.185,617 0.063,618 0.174,619 0.053,620 0.155,621 -0.023,622 0.094,623 -0.046,624 0.021,625 0.023,626 -0.009,627 0.005,628 -0.089,629 0.023,630 -0.104,631 -0.027,632 -0.046,633 0.078,634 -0.04,635 0.127,636 0.01,637 0.057,638 0.07,639 -0.031,640 -0.003,641 -0.027,642 -0.002,643 -0.004,644 -0.01,645 0.001,646 -0.066,647 -0.197,648 -0.143,649 0.005,650 -0.205,651 -0.04,652 -0.136,653 -0.073,654 -0.094,655 -0.049,656 -0.095,657 2.459,658 7.217,659 0.63,660 67.626,661 1.006,662 1.136,663 0.385,664 0.148,665 0.617,666 3.951,667 4.357,668 4.718,669 5.088,670 5.442,671 5.68,672 5.911,673 6.131,674 6.297,675 6.41,676 8.726,677 0.585,678 643.86,679 3.951,680 5.549,681 6.45,682 7.392,683 8.329,684 9.287,685 10.242,686 11.211,687 12.177,688 13.154,689 3.2,692 3,731 95,733 6,735 51,737 100,738 34,742 8,746 6,747 12,752 3,753 2,754 2,755 6,756 1,758 7,761 9,762 25,763 1,766 6,771 3,773 1,775 8,781 49,782 12,783 2,784 12,790 3,794 0.5,795 9,797 1,811 1,812 5,815 1,816 2,824 1,829 2,831 1,832 4,836 3,838 2,839 2,840 3,844 4,848 46,853 2,854 15,856 4,858 4,859 3,860 2,870 9.5,871 1,872 1,873 3,874 2,875 2,877 24.5,878 17.833,879 9.931,880 6.011,881 1.365,882 1.142,883 0.902,884 9.858,885 10.973,886 4.06,887 4.554,888 5.05,889 5.541,890 6.043,891 6.407,892 6.741,893 7.063,894 7.319,895 7.505,896 1,897 91,898 17.548,900 8.059,901 7.819,902 33.443,904 29.345,905 2.319,906 106.667,910 553.242,911 119.425,912 9.373,914 204.801,917 119.425,918 758.043,919 9.373,920 37.359,921 49.808,922 42.683,923 159.634,924 44.115,925 11.771,926 541.471,928 553.242,929 128.798,930 204.801,933 482.615,934 210.745,935 64.683,937 76.609,938 52.189,941 553.242,942 214.174,943 119.425,946 553.242,947 73.019,948 55.779,950 204.801,951 553.242,952 214.174,953 119.425,955 0.594,956 0.359,957 0.204,958 0.124,959 39,960 19,961 0.09,962 9,963 3,964 1.207,965 4.992,966 539.476,967 0.207,968 29,969 246.084,974 33.784,975 13.423,976 6.053,978 214.174,986 85.367,987 886.841,988 57,993 40.325,995 1.728,997 -0.974,999 95.574,1000 107.929,1001 0.229,1002 0.504,1003 0.772,1004 0.873,1005 0.877,1006 0.883,1007 5.412,1008 2.218,1009 6.506,1010 7.196,1011 5.043,1012 5.242,1013 3.239,1014 7.482,1015 4.964,1016 6.613,1017 2.146,1018 8.175,1019 6.957,1020 4.934,1021 5.231,1022 2.358,1023 8.938,1024 4.868,1025 7.964,1026 1.983,1027 9.968,1028 6.308,1029 6.828,1030 7.273,1031 4.264,1032 12.144,1033 6.715,1034 9.352,1035 1.783,1036 11.842,1037 5.869,1038 7.561,1039 8.096,1040 4.282,1041 14.481,1042 7.477,1043 10.784,1044 1.617,1045 13.77,1046 4.939,1047 9.012,1048 9.707,1049 5.716,1050 17.342,1051 8.901,1052 12.246,1053 1.549,1054 15.739,1055 4.604,1056 10.1,1057 10.885,1058 6.177,1059 19.974,1060 10.009,1061 13.733,1062 1.313,1063 17.737,1064 3.488,1065 11.432,1066 12.372,1067 7.348,1068 22.759,1069 11.329,1070 3.849,1071 1.132,1072 19.758,1073 3.24,1074 12.662,1075 13.705,1076 8.027,1077 25.484,1078 12.567,1079 3.575,1080 16.383,1081 21.796,1082 2.771,1083 13.973,1084 15.162,1085 9.063,1086 28.255,1087 13.871,1088 2.862,1089 14.589,1090 23.847,1091 4.407,1092 15.259,1093 16.565,1094 9.85,1095 31.012,1096 15.157,1097 2.79,1098 10.49,1099 25.908,1100 3.784,1101 16.573,1102 18.02,1103 10.818,1104 33.784,1105 16.464,1106 2.632,1107 10.006,1108 27.977,1109 3.406,1110 17.883,1111 19.458,1112 11.661,1113 36.554,1114 17.77,1115 2.518,1116 8.09,1117 30.052,1118 3.184,1119 19.203,1120 20.917,1121 12.594,1122 39.33,1123 19.084,1124 2.446,1125 7.413,1126 32.132,1127 2.907,1128 20.524,1129 22.373,1130 13.464,1131 42.107,1132 20.398,1133 33483,1134 51975,1135 33.115,1136 58.62,1137 79.114,1138 81.808,1139 83.548,1140 77.991,1141 77.984,1142 85.442,1143 19.844,1144 245.383,1145 74.506,1146 6.02,1147 6.18,1148 8.068,1149 5.945,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 27.542,1156 1.551,1157 1.604,1158 1.638,1159 1.529,1160 1.529,1161 1.675,1162 0.389,1163 4.811,1164 1.461,1165 4.133,1166 4.151,1167 4.086,1168 4.054,1169 7.437,1170 4.058,1171 3.907,1172 3.962,1173 3.824,1174 3.781,1175 7.431,1176 3.786,1177 3.848,1178 3.891,1179 3.741,1180 3.671,1181 7.427,1182 3.679,1183 3.768,1184 3.83,1185 3.65,1186 3.561,1187 6.46,1188 3.573,1189 3.581,1190 3.603,1191 3.498,1192 3.382,1193 6.448,1194 3.398,1195 3.514,1196 3.562,1197 3.445,1198 3.304,1199 4.718,1200 3.319,1201 3.504,1202 3.529,1203 3.383,1204 3.289,1205 4.627,1206 3.314,1207 3.39,1208 3.429,1209 3.249,1210 3.216,1211 4.556,1212 3.215,1213 0.098,1214 0.083,1215 0.162,1216 0.095,1217 0.075,1218 5.02,1219 0.086,1220 4.232,1221 0.048,1222 8.266,1223 0.321,1224 4.842,1225 0.075,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.13,1235 1.521,1236 2.123,1237 1.826,1238 1.772,1239 2.024,1240 2.037,1241 1.355,1242 2.038,1243 1.76,1244 1.714,1245 1.949,1246 1.97,1247 1.271,1248 1.967,1249 1.705,1250 1.645,1251 1.902,1252 1.895,1253 1.239,1254 1.895,1255 1.585,1256 1.534,1257 1.828,1258 1.769,1259 1.186,1260 1.787,1261 1.485,1262 1.429,1263 1.752,1264 1.708,1265 1.057,1266 1.72,1267 1.432,1268 1.397,1269 1.696,1270 1.7,1271 0.825,1272 1.692,1273 1.397,1274 1.355,1275 1.655,1276 1.649,1277 0.825,1278 1.652,1279 4.635,1281 6.019,1282 2.398,1283 7.615,1284 4.844,1285 9.328,1286 7.034,1287 11.115,1289 6.594,1294 22.796,1295 11.044,1297 22.936,1299 -2.765,1300 6.909,1301 -1.926,1305 55.614,1306 142.758,1307 314.543,1308 481.607,1309 545.117,1310 547.117,1311 551.117,1312 152.887,1313 9.608,1314 138.31,1315 138.31,1316 35,1317 13.629,1318 2.807,1319 2.807,1320 70.752,1321 228,1322 346,1323 0.147,1324 331.334,1325 618.87,1326 800.216,1327 241264,1329 32.802,1330 0.713,1331 0.6,1332 32.802,1333 27.587,1334 21.983,1335 0.431,1336 0.329,1337 16.44,1338 20.782,1339 16.004,1340 13.022,1341 21.983,1342 16.755,1343 20.817,1344 0.27,1345 0.183,1346 20.817,1347 14.113,1348 18.073,1349 0.163,1350 0.103,1351 18.073,1352 11.427,1353 15.708,1354 0.098,1355 0.055,1356 15.708,1357 8.914,1358 13.749,1359 0.06,1360 0.029,1361 13.749,1362 6.627,1363 0.23,1364 140.464,1365 0.174,1366 39.687,1367 0.409,1368 256,1369 755.383,1370 286.712,1371 689.514,1372 918.29,1373 646,1374 316,1375 641.993,1376 347.635,1377 640.172,1378 960.98,1379 600,1380 7.347}
{0 CHEMBL409251,1 1.449,2 10.649,3 1.705,4 2.906,5 137.23,6 6.812,8 4.412,9 4.519,10 3.881,11 3.878,12 5.464,13 3.856,14 5.035,15 5.21,16 4.325,17 4.346,18 6.051,19 4.309,20 5.359,21 5.53,22 4.571,23 4.639,24 6.414,25 4.584,26 5.611,27 5.811,28 4.712,29 4.783,30 6.627,31 4.72,32 5.73,33 5.925,34 4.827,35 4.81,36 6.905,37 4.77,38 5.734,39 5.913,40 4.791,41 4.809,42 6.992,43 4.767,44 5.757,45 5.952,46 4.658,47 4.787,48 6.999,49 4.702,50 5.76,51 6.016,52 4.369,53 4.638,54 6.827,55 4.507,56 0.086,57 1.011,58 17.767,59 7.898,60 19.928,61 10.208,62 0.594,63 1.698,64 35.276,65 13.333,66 65.104,67 17.947,68 0.7,69 2.303,70 48.685,71 18.73,72 104.495,73 25.111,74 0.819,75 2.782,76 63.844,77 22.725,78 122.183,79 31.215,80 1.715,81 2.926,82 74.367,83 23.513,84 208.897,85 32.287,86 1.935,87 2.916,88 75.123,89 23.217,90 270.816,91 31.38,92 1.923,93 2.937,94 76.769,95 24.049,96 289.153,97 33.168,98 1.873,99 2.708,100 78.943,101 22.417,102 261.667,103 32.627,104 143,105 62,106 0.226,107 0.533,108 0.806,109 0.887,110 0.887,111 0.887,112 3.644,113 0.984,114 -2.65,115 -2.67,116 -2.6,119 36.8,120 4,121 5,122 1,123 2,124 2,125 2,127 3,136 4,137 1,138 1,156 1,158 2,172 13,174 2,175 10,180 3,183 16,186 1,187 13,190 1,192 7,195 15,198 2,199 17,204 4,207 12,211 3,212 18,215 4,217 3,220 13,223 4,224 12,227 3,229 4,232 13,236 6,237 15,240 1,241 1,242 4,245 9,249 1,250 10,253 2,255 3,258 4,262 2,263 9,266 1,268 1,271 5,275 2450,276 24.02,277 24.02,278 24.02,279 24.02,280 24.02,281 22.978,282 29.004,283 13.72,284 24.516,285 19.579,286 19.579,287 19.579,288 19.579,289 19.579,290 17.668,291 35.539,292 6.29,293 20.275,294 4.799,295 2.832,296 1.079,297 0.56,298 0.56,299 0.56,300 4.324,305 1,306 825,307 4.95,310 63.709,311 194.45,314 106.122,315 215.532,318 1.604,319 71.237,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 82.5,331 394,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.83,354 2.847,355 3.404,356 1.148,357 10.485,358 2.803,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.001,367 2.777,368 3.72,369 3.461,370 5.941,371 3.438,372 2.492,373 2.897,374 0.8,375 8.029,376 2.346,377 3.565,378 2.893,379 5.762,380 3.206,381 2.261,382 2.73,383 0.525,384 7.319,385 2.135,386 3.368,387 2.756,388 5.361,389 3.156,390 2.202,391 2.421,393 6.116,394 2.073,395 3.164,396 2.56,397 5.102,398 2.967,399 1.991,400 2.178,402 5.731,403 1.925,404 2.918,405 2.372,406 4.988,407 2.766,408 1.785,409 1.911,411 4.939,412 1.732,413 2.656,414 2.089,415 4.624,416 2.578,417 1.617,418 1.648,420 4.604,421 1.544,422 2.552,423 1.842,424 4.282,425 2.393,426 1.411,427 1.489,428 3.488,429 1.382,430 2.445,431 1.722,432 4.117,433 2.263,434 1.3,435 1.389,436 2.87,437 1.24,438 2.263,439 1.629,440 3.823,441 2.001,442 1.087,443 1.187,445 2.359,446 0.981,447 2.107,448 1.389,449 3.761,450 1.651,451 0.693,452 0.86,454 1.575,455 0.647,456 1.83,457 1.223,458 3.315,459 1.507,460 0.52,461 0.644,463 1.194,464 0.507,465 17.067,466 0.461,467 1.348,468 0.036,469 32.5,470 0.878,471 9,472 0.243,473 23.5,474 0.635,475 55.79,476 1.508,477 44.133,478 0.581,479 33.127,480 0.895,481 5.807,482 0.157,483 11.603,484 0.314,485 0.273,486 0.059,487 0.375,493 0.787,494 1.411,495 0.868,496 1.308,497 0.699,498 1.134,499 0.82,500 0.943,501 0.798,502 0.913,503 0.552,504 0.85,505 0.852,506 1.161,507 0.924,508 1.141,509 0.747,510 1.062,511 0.922,512 1.155,513 0.901,514 1.135,515 0.918,516 1.032,517 1.125,518 1.056,519 0.939,520 1.024,521 1.062,522 0.952,523 1.357,524 1.069,525 1.139,526 1.057,527 1.456,528 1.05,529 1.208,530 1.192,531 1.226,532 1.212,533 1.338,534 1.224,535 1.229,536 0.939,537 1.106,538 0.932,539 1.251,540 0.984,541 10,542 0.172,543 6.444,544 5.104,545 5.146,546 3.337,547 2.331,548 1.313,549 0.766,550 0.408,551 14907,552 38577,553 1.948,554 51.3,555 14,556 13,557 1,559 2,560 3,561 6,564 1.794,565 1.734,566 3.24,567 0.162,573 110.106,574 1.449,575 3.416,576 5.169,577 5.688,578 5.688,579 5.688,580 2.837,581 5.047,582 5.173,583 3.427,584 2282.64,585 9.189,586 33355.8,591 474.842,592 1.798,593 5.074,594 0.25,595 0.007,596 0.104,597 0.066,598 0.06,599 0.036,600 0.026,601 0.018,602 0.015,603 0.01,604 0.593,605 0.33,606 0.88,607 1.671,608 194.401,609 -0.049,610 -0.093,611 0.041,612 -0.032,613 -0.062,614 0.015,615 0.037,616 0.229,617 0.153,618 0.212,619 0.079,620 0.214,621 0.007,622 -0.011,623 0.021,624 -0.002,625 0.021,626 0.011,627 -0.021,628 -0.075,629 0.06,630 -0.063,631 -0.053,632 0.005,633 0.062,634 -0.028,635 0.081,636 -0.012,637 0.029,638 0.032,639 -0.036,640 -0.031,641 -0.096,642 -0.047,643 -0.041,644 -0.079,645 -0.001,646 -0.175,647 -0.205,648 -0.207,649 -0.006,650 -0.247,651 -0.088,652 -0.037,653 -0.083,654 -0.022,655 -0.075,656 -0.048,657 2.441,658 6.942,659 0.459,660 36.936,661 1.007,662 1.132,663 1.421,664 2.02,665 0.62,666 3.714,667 4.143,668 4.522,669 4.92,670 5.288,671 5.561,672 5.79,673 5.996,674 6.129,675 6.198,676 6.106,677 0.589,678 517.68,679 3.714,680 5.323,681 6.236,682 7.2,683 8.155,684 9.134,685 10.106,686 11.093,687 12.073,688 13.062,689 1.3,692 1,731 76,733 6,735 40,737 79,738 28,742 8,746 4,747 10,752 4,753 2,754 2,755 6,756 1,758 8,761 9,762 19,763 1,766 6,771 3,773 1,775 8,781 39,782 9,783 2,784 9,790 1,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 1,844 6,848 37,853 2,854 7,856 3,858 4,859 1,860 2,870 10.5,871 1,872 1,873 3,874 1,875 2,877 21.333,878 15.267,879 8.097,880 4.844,881 1.153,882 1.133,883 0.873,884 7.798,885 9.796,886 3.85,887 4.382,888 4.913,889 5.434,890 5.953,891 6.328,892 6.654,893 6.955,894 7.181,895 7.319,896 1,897 77,898 14.126,900 6.501,901 7.964,902 26.376,904 22.841,905 2.464,906 91.167,910 435.531,911 115.257,912 3.124,914 193.801,917 115.257,918 629.332,919 3.124,920 54.58,921 28.418,922 42.683,923 148.634,924 37.866,925 11.771,926 423.76,928 435.531,929 118.381,930 193.801,933 364.904,934 210.745,935 53.683,937 57.796,938 60.585,941 435.531,942 196.925,943 115.257,946 435.531,947 51.629,948 66.752,950 193.801,951 435.531,952 196.925,953 115.257,955 0.595,956 0.363,957 0.211,958 0.133,959 31,960 17,961 0.101,962 8,963 3,964 1.353,965 4.022,966 410.54,967 0.353,968 17,969 192.75,974 28.032,975 10.293,976 4.399,978 196.925,986 85.367,987 747.713,988 46,993 39.475,995 1.622,997 -1.077,999 76.509,1000 86.062,1001 0.232,1002 0.547,1003 0.827,1004 0.91,1005 0.91,1006 0.91,1007 5.209,1008 1.991,1009 6.323,1010 6.116,1011 4.828,1012 5.069,1013 3.096,1014 7.347,1015 4.774,1016 6.449,1017 1.785,1018 8.028,1019 5.731,1020 4.844,1021 5.165,1022 2.283,1023 8.887,1024 4.798,1025 7.825,1026 1.617,1027 9.855,1028 4.939,1029 6.671,1030 7.175,1031 4.235,1032 12.1,1033 6.595,1034 9.239,1035 1.411,1036 11.756,1037 4.604,1038 7.491,1039 8.055,1040 4.273,1041 14.465,1042 7.43,1043 10.692,1044 1.3,1045 13.707,1046 3.488,1047 8.919,1048 9.661,1049 5.712,1050 17.332,1051 8.84,1052 12.173,1053 1.087,1054 15.693,1055 2.87,1056 10.054,1057 10.864,1058 6.176,1059 19.969,1060 9.982,1061 13.675,1062 0.693,1063 17.705,1064 2.359,1065 11.383,1066 12.352,1067 7.348,1068 22.756,1069 11.302,1070 3.849,1071 0.52,1072 19.735,1073 1.575,1074 12.636,1075 13.695,1076 8.027,1077 25.483,1078 12.553,1079 3.575,1080 16.383,1081 21.78,1082 1.194,1083 13.949,1084 15.154,1085 9.063,1086 28.255,1087 13.859,1088 2.847,1089 14.589,1090 23.836,1091 4.407,1092 15.245,1093 16.561,1094 9.85,1095 31.012,1096 15.15,1097 2.789,1098 10.485,1099 25.9,1100 3.784,1101 16.561,1102 18.017,1103 10.818,1104 33.784,1105 16.46,1106 2.492,1107 10.001,1108 27.972,1109 3.404,1110 17.875,1111 19.456,1112 11.661,1113 36.554,1114 17.767,1115 2.261,1116 8.029,1117 30.049,1118 3.184,1119 19.197,1120 20.916,1121 12.594,1122 39.33,1123 19.081,1124 2.202,1125 7.319,1126 32.13,1127 2.897,1128 20.519,1129 22.371,1130 13.464,1131 42.107,1132 20.397,1133 15021,1134 24287,1135 24.679,1136 47.108,1137 62.628,1138 65.181,1139 68.433,1140 61.457,1141 61.436,1142 68.884,1143 14.924,1144 200.595,1145 59.483,1146 6.02,1147 6.18,1148 8.13,1149 5.934,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 26.159,1156 1.566,1157 1.63,1158 1.711,1159 1.536,1160 1.536,1161 1.722,1162 0.373,1163 5.015,1164 1.487,1165 4.128,1166 4.144,1167 4.082,1168 4.051,1169 7.437,1170 4.055,1171 3.884,1172 3.913,1173 3.812,1174 3.776,1175 7.431,1176 3.78,1177 3.723,1178 3.789,1179 3.589,1180 3.569,1181 7.427,1182 3.561,1183 3.581,1184 3.603,1185 3.49,1186 3.391,1187 6.46,1188 3.399,1189 3.514,1190 3.556,1191 3.438,1192 3.297,1193 6.448,1194 3.317,1195 3.492,1196 3.524,1197 3.361,1198 3.286,1199 4.714,1200 3.31,1201 3.321,1202 3.388,1203 3.164,1204 3.146,1205 4.556,1206 3.137,1207 3.289,1208 3.332,1209 3.131,1210 3.054,1211 4.445,1212 3.053,1213 0.125,1214 0.106,1215 0.207,1216 0.121,1217 0.096,1218 5.02,1219 0.11,1220 4.232,1221 0.061,1222 8.266,1223 0.41,1224 4.842,1225 0.095,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.782,1238 1.75,1239 1.987,1240 1.947,1241 1.282,1242 1.958,1243 1.699,1244 1.637,1245 1.911,1246 1.878,1247 1.253,1248 1.891,1249 1.586,1250 1.535,1251 1.829,1252 1.769,1253 1.187,1254 1.788,1255 1.479,1256 1.426,1257 1.738,1258 1.708,1259 0.887,1260 1.718,1261 1.429,1262 1.392,1263 1.696,1264 1.698,1265 0.807,1266 1.691,1267 1.374,1268 1.335,1269 1.65,1270 1.632,1271 0.749,1272 1.639,1273 1.232,1274 1.167,1275 1.507,1276 1.47,1277 0.674,1278 1.478,1279 4.394,1281 5.796,1282 2.398,1283 7.414,1284 4.844,1285 9.156,1286 7.034,1287 10.976,1289 10.417,1294 22.401,1295 3.924,1297 17.177,1299 -2.724,1300 1.848,1301 -1.895,1305 44.749,1306 110.106,1307 259.606,1308 392.829,1309 432.313,1310 432.313,1311 432.313,1312 148.285,1313 8.643,1314 122.6,1315 122.6,1316 23,1317 13.529,1318 2.807,1319 2.807,1320 63.959,1321 130,1322 198,1323 0.245,1324 270.982,1325 509,1326 652.957,1327 62787,1329 27.284,1330 0.737,1331 0.612,1332 27.284,1333 22.628,1334 17.41,1335 0.435,1336 0.328,1337 12.902,1338 16.558,1339 12.404,1340 10.267,1341 17.41,1342 13.118,1343 16.743,1344 0.27,1345 0.182,1346 16.743,1347 11.262,1348 14.277,1349 0.157,1350 0.097,1351 14.277,1352 8.87,1353 12.532,1354 0.092,1355 0.051,1356 12.532,1357 6.965,1358 11.091,1359 0.056,1360 0.026,1361 11.091,1362 5.198,1363 0.362,1364 110.884,1365 0.201,1366 32.045,1367 0.753,1368 204,1369 620.358,1370 227.337,1371 570.724,1372 755.75,1373 530,1374 255,1375 530.779,1376 278.482,1377 532.95,1378 798.87,1379 497,1380 6.197}
{0 CHEMBL409294,1 1.497,2 11.579,3 0.649,4 0.421,5 142.216,6 6.829,8 4.443,9 4.552,10 3.911,11 3.886,12 5.513,13 3.87,14 5.053,15 5.233,16 4.342,17 4.35,18 6.072,19 4.318,20 5.362,21 5.528,22 4.577,23 4.646,24 6.416,25 4.592,26 5.64,27 5.848,28 4.708,29 4.785,30 6.653,31 4.719,32 5.727,33 5.927,34 4.802,35 4.794,36 6.881,37 4.748,38 5.73,39 5.924,40 4.761,41 4.778,42 6.944,43 4.732,44 5.727,45 5.924,46 4.631,47 4.739,48 6.967,49 4.659,50 5.709,51 5.962,52 4.358,53 4.589,54 6.785,55 4.467,56 0.117,57 1.051,58 18.407,59 7.833,60 23.212,61 10.272,62 0.659,63 1.739,64 36.093,65 13.011,66 66.996,67 17.814,68 0.72,69 2.337,70 48.689,71 18.629,72 98.411,73 25.095,74 0.942,75 2.805,76 66.062,77 22.902,78 133.685,79 31.821,80 1.73,81 2.877,82 74.124,83 23.19,84 207.064,85 32.324,86 1.97,87 2.858,88 75.048,89 22.241,90 250.042,91 30.999,92 1.968,93 2.786,94 74.787,95 22.594,96 282.033,97 31.598,98 1.955,99 2.527,100 75.252,101 20.702,102 246.86,103 30.542,104 144,105 63,106 0.232,107 0.548,108 0.815,109 0.867,110 0.871,111 0.875,112 3.669,113 0.965,114 -1.92,115 -1.98,116 -1.98,119 35.9,120 3,121 4,122 1,123 2,124 3,125 3,127 3,136 4,138 2,154 1,158 2,172 11,174 2,175 10,180 4,183 15,186 1,187 9,191 1,192 10,195 15,198 3,199 12,204 8,207 12,211 2,212 14,215 5,217 7,220 12,223 1,224 13,227 5,228 1,229 4,232 11,236 4,237 13,240 3,241 1,242 5,245 7,249 3,250 8,253 2,255 3,258 1,262 2,263 10,266 2,271 2,275 2796,276 24.564,277 24.564,278 24.564,279 24.564,280 24.564,281 23.301,282 33.138,283 14.06,284 25.185,285 20.114,286 20.114,287 20.114,288 20.114,289 20.114,290 18.027,291 40.973,292 6.51,293 21.028,294 4.788,295 2.755,296 1.032,297 0.699,298 0.673,299 0.648,300 4.35,305 1,306 922,307 5.05,310 67.159,311 205.436,314 112.072,315 227.658,318 1.789,319 71.064,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.83,330 85,331 440,332 5.025,333 4.211,334 8.266,335 4.839,336 3.849,337 4.436,338 2.455,339 16.382,340 3.809,341 4.618,342 3.765,343 7.865,344 4.566,345 3.575,346 3.791,347 1.674,348 14.589,349 3.543,350 4.151,351 3.634,352 6.693,353 3.809,354 2.825,355 3.387,356 1.148,357 10.462,358 2.777,359 4.067,360 3.556,361 6.584,362 3.747,363 2.787,364 3.292,365 0.86,366 9.98,367 2.671,368 3.662,369 3.062,370 5.927,371 3.412,372 2.458,373 2.791,374 0.8,375 7.958,376 2.324,377 3.51,378 2.889,379 5.756,380 3.18,381 2.234,382 2.651,383 0.6,384 7.29,385 2.121,386 3.29,387 2.614,388 5.36,389 3.152,390 2.213,391 2.352,392 0.525,393 5.947,394 2.053,395 3.228,396 2.576,397 5.091,398 2.981,399 2.019,400 2.235,402 5.183,403 1.93,404 3.027,405 2.304,406 4.659,407 2.77,408 1.798,409 2.031,411 4.939,412 1.721,413 2.907,414 2.228,415 4.624,416 2.582,417 1.631,418 1.889,420 4.606,421 1.545,422 2.651,423 1.92,424 4.282,425 2.555,426 1.611,427 1.644,428 3.496,429 1.511,430 2.441,431 1.815,432 4.153,433 2.259,434 1.313,435 1.396,436 3.479,437 1.231,438 2.25,439 1.603,440 3.909,441 2.089,442 1.143,443 1.208,445 2.682,446 1.071,447 2.087,448 1.429,449 3.811,450 1.779,451 0.873,452 0.975,454 1.825,455 0.782,456 1.82,457 1.107,458 3.52,459 1.478,460 0.529,461 0.624,463 1.291,464 0.495,465 17.467,466 0.46,467 1.386,468 0.036,469 33.5,470 0.882,471 9,472 0.237,473 24.5,474 0.645,475 56.36,476 1.483,477 45.533,478 0.584,479 34.285,480 0.902,481 6.367,482 0.168,483 11.505,484 0.303,485 0.267,486 0.057,487 0.366,493 0.859,494 1.46,495 0.882,496 1.319,497 0.796,498 1.136,499 0.87,500 0.903,501 0.817,502 0.874,503 0.581,504 0.824,505 0.876,506 1.21,507 0.974,508 1.212,509 0.788,510 1.129,511 0.924,512 1.097,513 0.899,514 1.122,515 0.918,516 1.023,517 1.09,518 1.095,519 0.934,520 1.065,521 1.016,522 0.983,523 1.291,524 1.016,525 1.093,526 1.019,527 1.313,528 1.009,529 1.243,530 1.171,531 1.215,532 1.2,533 1.42,534 1.207,535 1.235,536 0.914,537 1.098,538 0.91,539 1.308,540 0.97,541 10,542 0.226,543 6.444,544 5.104,545 4.986,546 3.254,547 2.189,548 1.191,549 0.779,550 0.417,551 16942,552 44272,553 1.95,554 51.3,555 9,556 18,558 1,559 3,560 3,561 4,562 2,564 1.798,565 1.74,566 3.34,567 0.791,573 116.778,574 1.497,575 3.531,576 5.253,577 5.586,578 5.612,579 5.638,580 2.923,581 4.985,582 5.205,583 3.589,584 2523.37,585 9.243,586 38036.7,591 490.261,592 1.796,593 5.116,594 0.244,595 0.008,596 0.102,597 0.066,598 0.059,599 0.036,600 0.026,601 0.017,602 0.015,603 0.01,604 0.582,605 0.33,606 0.75,607 1.787,608 203.267,609 -0.071,610 -0.122,611 0.035,612 -0.034,613 -0.084,614 0.014,615 0.009,616 0.287,617 0.14,618 0.248,619 0.071,620 0.236,621 -0.01,622 -0.033,623 -0.032,624 -0.044,625 -0.002,626 -0.042,627 -0.018,628 -0.032,629 0.063,630 -0.049,631 -0.04,632 0.015,633 0.071,634 -0.081,635 0.079,636 -0.038,637 0.043,638 0.013,639 -0.021,640 0.012,641 -0.057,642 -0.02,643 -0.023,644 -0.039,645 -0.006,646 -0.165,647 -0.189,648 -0.192,649 -0.016,650 -0.229,651 -0.069,652 -0.02,653 -0.071,654 0.005,655 -0.081,656 -0.032,657 2.435,658 6.212,659 0.447,660 43.197,661 1.008,662 1.135,663 0.69,664 0.477,665 0.617,666 3.738,667 4.159,668 4.522,669 4.913,670 5.273,671 5.545,672 5.771,673 5.976,674 6.111,675 6.174,676 6.654,677 0.587,678 532.7,679 3.738,680 5.342,681 6.248,682 7.206,683 8.155,684 9.13,685 10.099,686 11.083,687 12.061,688 13.049,689 2.6,692 1,698 1,731 78,733 6,735 41,737 81,738 28,742 8,746 4,747 10,752 3,753 2,754 2,755 6,756 1,758 7,761 9,762 19,763 1,766 6,771 2,773 1,774 1,775 8,781 40,782 10,783 3,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,823 1,829 2,831 2,832 4,836 1,838 3,839 1,840 1,844 6,848 38,853 3,854 7,856 3,858 4,859 1,860 2,870 10.3,871 1,872 2,873 2,874 1,875 2,877 21.833,878 15.5,879 8.264,880 4.653,881 1.509,882 1.174,883 0.863,884 8.277,885 10.2,886 3.871,887 4.407,888 4.92,889 5.468,890 6.014,891 6.43,892 6.799,893 7.16,894 7.442,895 7.585,896 0.875,897 77,898 14.453,900 6.589,901 7.952,902 26.984,904 23.167,905 2.452,906 93.167,910 435.531,911 109.266,912 19.91,914 211.34,917 109.266,918 646.87,919 19.91,920 54.151,921 18.942,922 42.683,923 181.858,924 54.652,926 423.76,928 435.531,929 129.176,930 211.34,933 364.904,934 228.283,935 53.683,937 65.327,938 54.801,939 9.047,941 435.531,942 231.249,943 109.266,946 435.531,947 46.067,948 66.323,950 228.125,951 435.531,952 231.249,953 109.266,955 0.596,956 0.354,957 0.203,958 0.126,959 31,960 17,961 0.111,962 9,963 3,964 1.353,965 4.169,966 417.341,967 0.353,968 17,969 197.421,974 28.969,975 10.858,976 4.808,978 231.249,986 128.05,987 776.046,988 47,993 25.483,995 1.4,996 4.424,997 -0.73,999 78.61,1000 88.561,1001 0.238,1002 0.562,1003 0.836,1004 0.889,1005 0.893,1006 0.897,1007 5.226,1008 2.019,1009 6.33,1010 5.947,1011 4.844,1012 5.094,1013 3.128,1014 7.344,1015 4.772,1016 6.465,1017 1.798,1018 8.028,1019 5.183,1020 4.844,1021 5.165,1022 2.283,1023 8.882,1024 4.778,1025 7.838,1026 1.631,1027 9.851,1028 4.939,1029 6.673,1030 7.203,1031 4.239,1032 12.094,1033 6.574,1034 9.248,1035 1.611,1036 11.751,1037 4.606,1038 7.485,1039 8.062,1040 4.273,1041 14.462,1042 7.4,1043 10.7,1044 1.313,1045 13.702,1046 3.496,1047 8.915,1048 9.695,1049 5.712,1050 17.329,1051 8.812,1052 12.179,1053 1.143,1054 15.688,1055 3.479,1056 10.048,1057 10.887,1058 6.176,1059 19.968,1060 9.951,1061 13.682,1062 0.873,1063 17.7,1064 2.682,1065 11.379,1066 12.397,1067 7.348,1068 22.755,1069 11.272,1070 3.849,1071 0.529,1072 19.731,1073 1.825,1074 12.631,1075 13.737,1076 8.027,1077 25.482,1078 12.523,1079 3.575,1080 16.382,1081 21.777,1082 1.291,1083 13.945,1084 15.211,1085 9.063,1086 28.254,1087 13.829,1088 2.825,1089 14.589,1090 23.834,1091 4.436,1092 15.241,1093 16.62,1094 9.85,1095 31.011,1096 15.119,1097 2.787,1098 10.462,1099 25.899,1100 3.791,1101 16.558,1102 18.087,1103 10.818,1104 33.784,1105 16.428,1106 2.458,1107 9.98,1108 27.97,1109 3.387,1110 17.872,1111 19.53,1112 11.661,1113 36.554,1114 17.734,1115 2.234,1116 7.958,1117 30.048,1118 3.292,1119 19.194,1120 20.999,1121 12.594,1122 39.329,1123 19.047,1124 2.213,1125 7.29,1126 32.129,1127 2.791,1128 20.517,1129 22.461,1130 13.464,1131 42.106,1132 20.36,1133 17015,1134 27621,1135 25.372,1136 48.114,1137 64.147,1138 65.849,1139 69.371,1140 62.899,1141 62.933,1142 70.697,1143 16.124,1144 202.978,1145 60.263,1146 6.016,1147 6.157,1148 8.033,1149 5.931,1150 5.849,1151 7.284,1152 4.234,1153 25.384,1154 5.809,1155 27.019,1156 1.565,1157 1.606,1158 1.692,1159 1.534,1160 1.535,1161 1.724,1162 0.393,1163 4.951,1164 1.47,1165 4.128,1166 4.145,1167 4.081,1168 4.055,1169 7.435,1170 4.058,1171 3.881,1172 3.907,1173 3.809,1174 3.774,1175 7.431,1176 3.778,1177 3.727,1178 3.804,1179 3.588,1180 3.542,1181 6.534,1182 3.542,1183 3.582,1184 3.606,1185 3.497,1186 3.372,1187 6.448,1188 3.391,1189 3.517,1190 3.563,1191 3.432,1192 3.304,1193 6.392,1194 3.326,1195 3.487,1196 3.523,1197 3.383,1198 3.272,1199 4.747,1200 3.293,1201 3.338,1202 3.397,1203 3.193,1204 3.151,1205 4.62,1206 3.146,1207 3.307,1208 3.353,1209 3.156,1210 3.098,1211 4.541,1212 3.094,1213 0.123,1214 0.103,1215 0.202,1216 0.118,1217 0.094,1218 5.025,1219 0.108,1220 4.211,1221 0.06,1222 8.266,1223 0.4,1224 4.839,1225 0.093,1226 3.849,1227 4.436,1228 2.455,1229 16.382,1230 3.809,1231 2.035,1232 2.024,1233 2.118,1234 2.126,1235 1.526,1236 2.121,1237 1.771,1238 1.742,1239 1.951,1240 1.938,1241 1.27,1242 1.946,1243 1.687,1244 1.615,1245 1.908,1246 1.894,1247 1.22,1248 1.898,1249 1.586,1250 1.535,1251 1.829,1252 1.769,1253 1.187,1254 1.788,1255 1.46,1256 1.414,1257 1.717,1258 1.711,1259 0.836,1260 1.711,1261 1.428,1262 1.385,1263 1.696,1264 1.699,1265 0.81,1266 1.691,1267 1.377,1268 1.322,1269 1.653,1270 1.632,1271 0.765,1272 1.641,1273 1.263,1274 1.205,1275 1.534,1276 1.485,1277 0.676,1278 1.5,1279 4.419,1281 5.814,1282 2.398,1283 7.422,1284 4.844,1285 9.157,1286 7.034,1287 10.972,1289 10.473,1294 33.934,1295 3.49,1297 17.156,1299 -2.636,1300 2.034,1301 -1.862,1305 45.77,1306 116.778,1307 275.389,1308 409.732,1309 435.732,1310 437.732,1311 439.732,1312 150.139,1313 8.691,1314 138.12,1315 138.12,1316 23,1317 13.517,1318 2.807,1319 2.807,1320 66.939,1321 143,1322 218,1323 0.23,1324 277.777,1325 520,1326 669.535,1327 68444,1329 27.991,1330 0.737,1331 0.608,1332 27.991,1333 23.114,1334 17.872,1335 0.436,1336 0.322,1337 12.951,1338 16.935,1339 12.442,1340 10.276,1341 17.872,1342 13.194,1343 17.292,1344 0.274,1345 0.183,1346 17.292,1347 11.511,1348 14.37,1349 0.158,1350 0.097,1351 14.37,1352 8.789,1353 12.591,1354 0.093,1355 0.051,1356 12.591,1357 6.923,1358 10.937,1359 0.056,1360 0.026,1361 10.937,1362 5.039,1363 0.345,1364 114.24,1365 0.199,1366 33.161,1367 0.686,1368 208,1369 634.417,1370 232.392,1371 585.496,1372 773.74,1373 544,1374 258,1375 540.23,1376 282.481,1377 544.664,1378 811.81,1379 506,1380 5}
{0 CHEMBL409427,1 1.497,2 10.737,3 0.515,4 0.265,5 141.376,6 6.829,8 4.441,9 4.552,10 3.913,11 3.883,12 5.501,13 3.867,14 5.062,15 5.247,16 4.354,17 4.351,18 6.077,19 4.324,20 5.364,21 5.524,22 4.59,23 4.662,24 6.434,25 4.608,26 5.66,27 5.872,28 4.728,29 4.807,30 6.655,31 4.738,32 5.755,33 5.958,34 4.845,35 4.819,36 6.92,37 4.782,38 5.739,39 5.912,40 4.808,41 4.826,42 7.005,43 4.784,44 5.796,45 6.002,46 4.684,47 4.806,48 7.02,49 4.717,50 5.768,51 6.022,52 4.433,53 4.65,54 6.844,55 4.529,56 0.098,57 1.059,58 18.318,59 7.741,60 20.406,61 10.265,62 0.695,63 1.753,64 36.573,65 12.823,66 66.558,67 17.692,68 0.725,69 2.364,70 48.59,71 18.964,72 101.545,73 25.307,74 0.887,75 2.872,76 67.24,77 23.453,78 128.642,79 32.832,80 1.845,81 2.962,82 76.525,83 23.199,84 212.382,85 32.51,86 1.943,87 2.942,88 75.183,89 23.278,90 269.016,91 31.644,92 2.105,93 2.988,94 80.103,95 24.4,96 296.067,97 34.399,98 1.89,99 2.704,100 79.393,101 22.03,102 253.917,103 32.692,104 166,105 64,106 0.232,107 0.54,108 0.81,109 0.87,110 0.87,111 0.87,112 3.669,113 0.96,114 -1.92,115 -1.98,116 -1.98,119 35.9,120 3,121 3,122 1,123 2,124 4,125 3,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 9,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 11,211 3,212 19,215 4,217 3,220 11,223 4,224 11,227 3,229 4,232 10,236 8,237 14,240 1,241 1,242 3,245 5,249 1,250 9,253 3,255 2,262 3,263 7,266 1,275 2676,276 24.304,277 24.304,278 24.304,279 24.304,280 24.304,281 23.262,282 31.895,283 13.699,284 24.917,285 20.097,286 20.097,287 20.097,288 20.097,289 20.097,290 18.185,291 40.021,292 6.341,293 20.958,294 4.788,295 2.808,296 1.065,297 0.683,298 0.683,299 0.683,300 4.348,305 1,306 852,307 5.148,310 66.622,311 202.937,314 110.997,315 224.85,318 1.645,319 71.482,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 85,331 408,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.831,354 2.847,355 3.404,356 1.148,357 10.485,358 2.803,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.001,367 2.777,368 3.721,369 3.461,370 5.941,371 3.442,372 2.498,373 2.898,374 0.8,375 8.03,376 2.348,377 3.566,378 2.894,379 5.762,380 3.262,381 2.331,382 2.73,383 0.8,384 7.319,385 2.162,386 3.403,387 2.788,388 5.361,389 3.176,390 2.212,391 2.446,392 0.525,393 6.161,394 2.112,395 3.219,396 2.608,397 5.106,398 3.006,399 2.072,400 2.239,402 5.808,403 1.94,404 3.07,405 2.451,406 5.023,407 2.916,408 1.963,409 2.074,411 4.94,412 1.843,413 2.898,414 2.371,415 4.624,416 2.757,417 1.78,418 1.891,420 4.928,421 1.719,422 2.655,423 2.087,424 4.576,425 2.578,426 1.617,427 1.648,428 4.603,429 1.544,430 2.464,431 1.841,432 4.282,433 2.268,434 1.311,435 1.414,436 3.488,437 1.242,438 2.413,439 1.716,440 4.112,441 2.027,442 1.105,443 1.259,445 2.706,446 1.005,447 2.111,448 1.59,449 3.82,450 1.685,451 0.736,452 0.891,454 1.661,455 0.684,456 1.834,457 1.234,458 3.73,459 1.508,460 0.52,461 0.647,463 1.212,464 0.507,465 17.467,466 0.46,467 1.492,468 0.039,469 33.75,470 0.888,471 9,472 0.237,473 24.75,474 0.651,475 56.444,476 1.485,477 45.533,478 0.584,479 36.149,480 0.951,481 6.462,482 0.17,483 11.304,484 0.297,485 0.296,486 0.057,487 0.389,493 0.804,494 1.534,495 0.865,496 1.357,497 0.705,498 1.156,499 0.895,500 0.837,501 0.803,502 0.801,503 0.561,504 0.764,505 0.869,506 1.201,507 0.997,508 1.237,509 0.776,510 1.16,511 0.872,512 1.157,513 0.863,514 1.14,515 0.889,516 1.024,517 1.139,518 0.987,519 0.924,520 0.969,521 1.063,522 0.905,523 1.362,524 1.136,525 1.176,526 1.139,527 1.492,528 1.122,529 1.144,530 1.138,531 1.165,532 1.171,533 1.307,534 1.179,535 1.179,536 0.995,537 1.068,538 0.973,539 1.224,540 0.997,541 11,542 0.234,543 6.667,544 5.104,545 5.306,546 3.337,547 2.331,548 1.375,549 0.828,550 0.473,551 16242,552 42822,553 1.935,554 51.3,555 9,556 21,557 1,559 2,560 3,561 4,564 1.8,565 1.714,566 3.277,567 0.175,573 116.778,574 1.497,575 3.478,576 5.221,577 5.602,578 5.602,579 5.602,580 2.865,581 4.932,582 5.211,583 3.49,584 2453.73,585 9.26,586 36671,591 490.261,592 1.786,593 5.107,594 0.268,595 0.008,596 0.104,597 0.065,598 0.061,599 0.035,600 0.026,601 0.019,602 0.015,603 0.011,604 0.612,605 0.33,606 0.75,607 1.656,608 201.933,609 -0.052,610 -0.186,611 0.046,612 -0.074,613 -0.067,614 -0.006,615 -0.003,616 0.355,617 0.16,618 0.301,619 0.074,620 0.283,621 -0.007,622 -0.008,623 -0.058,624 -0.056,625 0.004,626 -0.066,627 -0.003,628 -0.098,629 0.091,630 -0.062,631 -0.04,632 0.021,633 0.046,634 0.036,635 0.098,636 0.037,637 0.032,638 0.077,639 -0.048,640 -0.084,641 -0.139,642 -0.099,643 -0.053,644 -0.134,645 0.033,646 -0.139,647 -0.149,648 -0.167,649 0.009,650 -0.198,651 -0.058,652 -0.093,653 -0.05,654 -0.051,655 -0.055,656 -0.052,657 2.458,658 6.978,659 0.447,660 39.623,661 1.008,662 1.135,663 0.69,664 0.477,665 0.617,666 3.738,667 4.174,668 4.533,669 4.927,670 5.298,671 5.565,672 5.796,673 6.006,674 6.142,675 6.215,676 6.335,677 0.587,678 532.7,679 3.738,680 5.352,681 6.26,682 7.222,683 8.173,684 9.149,685 10.119,686 11.103,687 12.081,688 13.07,689 2.6,692 2,731 78,733 6,735 41,737 81,738 28,742 8,746 4,747 10,752 3,753 2,754 2,755 6,756 1,758 6,761 9,762 19,763 1,766 6,771 3,773 1,775 8,781 40,782 10,783 2,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 1,844 7,848 38,853 2,854 6,856 3,858 4,859 2,860 2,870 10.3,871 1,872 1,873 3,874 1,875 2,877 22.167,878 15.967,879 8.181,880 4.594,881 1.171,882 1.135,883 0.872,884 8.012,885 9.861,886 3.871,887 4.407,888 4.92,889 5.438,890 5.958,891 6.332,892 6.659,893 6.966,894 7.193,895 7.336,896 1,897 78,898 14.485,900 6.632,901 7.965,902 26.974,904 23.175,905 2.465,906 93.667,910 447.302,911 120.261,912 6.249,914 193.801,917 120.261,918 641.103,919 6.249,920 62.548,921 25.455,922 42.683,923 148.634,924 40.991,925 11.771,926 435.531,928 447.302,929 126.51,930 193.801,933 400.217,934 187.202,935 53.683,937 49.132,938 77.378,941 447.302,942 200.05,943 120.261,946 447.302,947 48.666,948 77.844,950 193.801,951 447.302,952 200.05,953 120.261,955 0.602,956 0.357,957 0.204,958 0.131,959 32,960 18,961 0.099,962 8,963 3,964 1.353,965 4.09,966 423.681,967 0.353,968 17,969 197.421,974 28.969,975 10.51,976 4.701,978 200.05,986 85.367,987 767.613,988 47,993 39.588,995 1.602,997 -1.173,999 78.61,1000 88.561,1001 0.238,1002 0.553,1003 0.831,1004 0.891,1005 0.891,1006 0.891,1007 5.236,1008 2.072,1009 6.351,1010 6.161,1011 4.86,1012 5.094,1013 3.138,1014 7.367,1015 4.796,1016 6.479,1017 1.963,1018 8.052,1019 5.808,1020 4.89,1021 5.198,1022 2.321,1023 8.897,1024 4.834,1025 7.852,1026 1.78,1027 9.874,1028 4.94,1029 6.696,1030 7.191,1031 4.242,1032 12.105,1033 6.61,1034 9.262,1035 1.617,1036 11.77,1037 4.928,1038 7.513,1039 8.068,1040 4.278,1041 14.466,1042 7.444,1043 10.711,1044 1.311,1045 13.717,1046 4.603,1047 8.933,1048 9.668,1049 5.713,1050 17.332,1051 8.847,1052 12.187,1053 1.105,1054 15.7,1055 3.488,1056 10.063,1057 10.868,1058 6.177,1059 19.97,1060 9.987,1061 13.686,1062 0.736,1063 17.709,1064 2.706,1065 11.39,1066 12.355,1067 7.348,1068 22.756,1069 11.305,1070 3.849,1071 0.52,1072 19.737,1073 1.661,1074 12.64,1075 13.696,1076 8.027,1077 25.483,1078 12.555,1079 3.575,1080 16.383,1081 21.781,1082 1.212,1083 13.952,1084 15.154,1085 9.063,1086 28.255,1087 13.86,1088 2.847,1089 14.589,1090 23.837,1091 4.407,1092 15.246,1093 16.561,1094 9.85,1095 31.012,1096 15.151,1097 2.789,1098 10.485,1099 25.901,1100 3.784,1101 16.562,1102 18.017,1103 10.818,1104 33.784,1105 16.46,1106 2.498,1107 10.001,1108 27.972,1109 3.404,1110 17.876,1111 19.456,1112 11.661,1113 36.554,1114 17.767,1115 2.331,1116 8.03,1117 30.049,1118 3.184,1119 19.197,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.212,1125 7.319,1126 32.13,1127 2.898,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 16358,1134 26668,1135 25.085,1136 48.114,1137 64.775,1138 67.192,1139 70.215,1140 63.509,1141 63.487,1142 70.932,1143 16.524,1144 207.12,1145 61.109,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 28.008,1156 1.58,1157 1.639,1158 1.713,1159 1.549,1160 1.548,1161 1.73,1162 0.403,1163 5.052,1164 1.49,1165 4.128,1166 4.145,1167 4.082,1168 4.051,1169 7.437,1170 4.055,1171 3.884,1172 3.914,1173 3.813,1174 3.775,1175 7.431,1176 3.779,1177 3.723,1178 3.799,1179 3.6,1180 3.525,1181 7.427,1182 3.534,1183 3.582,1184 3.612,1185 3.494,1186 3.37,1187 6.46,1188 3.387,1189 3.516,1190 3.568,1191 3.441,1192 3.293,1193 6.448,1194 3.317,1195 3.503,1196 3.527,1197 3.383,1198 3.28,1199 4.714,1200 3.303,1201 3.327,1202 3.391,1203 3.177,1204 3.146,1205 4.557,1206 3.138,1207 3.296,1208 3.338,1209 3.148,1210 3.059,1211 4.452,1212 3.062,1213 0.122,1214 0.103,1215 0.202,1216 0.118,1217 0.094,1218 5.02,1219 0.107,1220 4.232,1221 0.06,1222 8.266,1223 0.4,1224 4.842,1225 0.093,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.777,1238 1.747,1239 1.942,1240 1.95,1241 1.268,1242 1.951,1243 1.664,1244 1.592,1245 1.894,1246 1.884,1247 1.188,1248 1.888,1249 1.584,1250 1.53,1251 1.828,1252 1.77,1253 1.154,1254 1.788,1255 1.47,1256 1.415,1257 1.731,1258 1.72,1259 0.845,1260 1.726,1261 1.429,1262 1.388,1263 1.696,1264 1.703,1265 0.802,1266 1.691,1267 1.375,1268 1.332,1269 1.65,1270 1.638,1271 0.744,1272 1.642,1273 1.238,1274 1.173,1275 1.51,1276 1.472,1277 0.674,1278 1.48,1279 4.419,1281 5.826,1282 2.398,1283 7.44,1284 4.844,1285 9.176,1286 7.034,1287 10.989,1289 12.197,1294 22.45,1295 2.666,1297 17.2,1299 -2.763,1300 3.82,1301 -1.92,1305 45.77,1306 116.778,1307 271.247,1308 407.203,1309 436.977,1310 436.977,1311 436.977,1312 152.695,1313 8.691,1314 125.84,1315 125.84,1316 23,1317 13.537,1318 2.807,1319 2.807,1320 66.755,1321 138,1322 192,1323 0.239,1324 277.777,1325 520,1326 669.535,1327 67084,1329 28.154,1330 0.741,1331 0.615,1332 28.154,1333 23.368,1334 17.766,1335 0.433,1336 0.32,1337 12.865,1338 16.794,1339 12.301,1340 10.182,1341 17.766,1342 13.122,1343 17.572,1344 0.275,1345 0.183,1346 17.572,1347 11.712,1348 14.463,1349 0.157,1350 0.097,1351 14.463,1352 8.905,1353 12.597,1354 0.092,1355 0.05,1356 12.597,1357 6.915,1358 11.296,1359 0.057,1360 0.026,1361 11.296,1362 5.248,1363 0.356,1364 113.8,1365 0.2,1366 32.86,1367 0.728,1368 210,1369 646.003,1370 234.753,1371 594.972,1372 784.21,1373 552,1374 261,1375 546.188,1376 286.342,1377 552.042,1378 822.18,1379 511,1380 8.076}
{0 CHEMBL409620,1 1.504,2 10.711,3 -0.674,4 0.455,5 135.612,6 7.142,8 4.417,9 4.514,10 3.913,11 3.851,12 5.537,13 3.85,14 5.025,15 5.183,16 4.362,17 4.325,18 6.113,19 4.31,20 5.362,21 5.515,22 4.61,23 4.627,24 6.523,25 4.589,26 5.62,27 5.815,28 4.74,29 4.775,30 6.685,31 4.725,32 5.729,33 5.913,34 4.845,35 4.802,36 6.945,37 4.772,38 5.744,39 5.923,40 4.814,41 4.794,42 7.024,43 4.765,44 5.742,45 5.922,46 4.717,47 4.77,48 7.061,49 4.705,50 5.773,51 6.02,52 4.468,53 4.621,54 6.95,55 4.518,56 0.219,57 0.992,58 17.025,59 7.629,60 36.962,61 9.51,62 0.8,63 1.658,64 34.1,65 12.84,66 93.9,67 16.757,68 1.131,69 2.272,70 47.756,71 18.303,72 159.955,73 23.918,74 1.288,75 2.75,76 63.94,77 22.353,78 175.3,79 30.435,80 2.11,81 2.87,82 73.337,83 23.164,84 255.947,85 31.403,86 2.401,87 2.862,88 75.34,89 22.74,90 327.644,91 30.55,92 2.383,93 2.85,94 74.59,95 23.238,96 346.153,97 31.731,98 2.618,99 2.633,100 81.8,101 21.742,102 362.99,103 31.94,104 166,105 64,106 0.235,107 0.568,108 0.835,109 0.896,110 0.9,111 0.9,112 3.669,113 0.937,114 -1,115 -1.1,116 -1.19,119 36,120 3,121 3,122 1,123 2,124 2,125 3,127 4,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 9,180 3,183 15,186 1,187 12,190 2,191 1,192 7,195 15,198 2,199 16,202 1,204 4,207 11,211 3,212 18,215 4,217 4,220 11,223 4,224 10,227 3,229 6,232 10,236 6,237 13,240 3,241 1,242 5,245 5,249 1,250 7,253 4,254 1,255 5,262 2,263 6,266 2,267 1,268 3,275 2648,276 24.467,277 24.467,278 24.467,279 24.467,280 24.467,281 23.425,282 29.076,283 13.711,284 25.019,285 20.024,286 20.024,287 20.024,288 20.024,289 20.024,290 18.113,291 35.447,292 6.252,293 20.851,294 4.725,295 2.6,296 0.891,297 0.504,298 0.477,299 0.477,300 4.348,306 850,307 5.148,310 66.518,311 202.452,314 110.788,315 224.305,318 1.62,319 84.702,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 86.5,331 407,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.168,351 3.65,352 6.696,353 3.833,354 2.851,355 3.405,356 1.148,357 10.485,358 2.804,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.002,367 2.778,368 3.727,369 3.461,370 5.942,371 3.472,372 2.536,373 2.9,374 0.8,375 8.04,376 2.368,377 3.567,378 2.905,379 5.763,380 3.358,381 2.408,382 2.73,383 0.525,384 7.329,385 2.266,386 3.49,387 2.859,388 5.361,389 3.179,390 2.213,391 2.525,393 6.686,394 2.121,395 3.234,396 2.625,397 5.277,398 2.994,399 2.032,400 2.265,402 5.939,403 1.939,404 3.015,405 2.381,406 5.089,407 2.835,408 1.886,409 2.016,411 4.939,412 1.778,413 2.863,414 2.338,415 4.624,416 2.735,417 1.771,418 1.854,420 4.807,421 1.682,422 2.655,423 2.083,424 4.604,425 2.578,426 1.617,427 1.647,428 4.599,429 1.544,430 2.454,431 1.841,432 4.282,433 2.266,434 1.308,435 1.408,436 3.488,437 1.241,438 2.369,439 1.714,440 4.106,441 2.006,442 1.093,443 1.224,445 2.645,446 0.985,447 2.109,448 1.574,449 3.819,450 1.648,451 0.693,452 0.864,454 1.597,455 0.645,456 1.83,457 1.231,458 3.708,459 1.507,460 0.52,461 0.644,463 1.195,464 0.507,465 17.233,466 0.454,467 1.454,468 0.038,469 33.5,470 0.882,471 9,472 0.237,473 24.5,474 0.645,475 56.113,476 1.477,477 45.767,478 0.61,479 36.768,480 0.968,481 6.401,482 0.168,483 11.403,484 0.3,485 0.28,486 0.058,487 0.4,493 0.86,494 1.39,495 0.847,496 1.28,497 0.794,498 1.092,499 0.86,500 0.95,501 0.801,502 0.915,503 0.639,504 0.843,505 0.844,506 1.179,507 0.95,508 1.166,509 0.763,510 1.101,511 0.863,512 1.121,513 0.887,514 1.118,515 0.845,516 1.026,517 1.031,518 1.103,519 0.947,520 1.077,521 0.965,522 1.003,523 1.218,524 1.033,525 1.088,526 1.022,527 1.268,528 1.019,529 1.044,530 1.25,531 1.186,532 1.277,533 1.135,534 1.274,535 1.077,536 0.935,537 1.047,538 0.929,539 1.077,540 0.973,541 11,542 0.213,543 6.667,544 5.354,545 5.146,546 3.337,547 2.412,548 1.391,549 0.848,550 0.483,551 16094,552 49346,553 1.935,554 49.3,555 9,556 16,557 1,559 4,560 3,561 4,564 1.8,565 1.714,566 3.273,567 1.501,573 112.81,574 1.504,575 3.629,576 5.338,577 5.725,578 5.752,579 5.752,580 2.829,581 4.985,582 5.212,583 3.467,584 2437.56,585 9.264,586 36380.5,591 467.161,592 1.786,593 5.107,594 0.268,595 0.007,596 0.104,597 0.068,598 0.058,599 0.035,600 0.027,601 0.018,602 0.015,603 0.011,604 0.613,605 0.17,606 0.75,607 1.656,608 201.651,609 -0.096,610 -0.059,611 0.017,612 0.006,613 -0.101,614 0.036,615 -0.018,616 0.245,617 0.118,618 0.23,619 0.029,620 0.22,621 0.003,622 -0.006,623 -0.037,624 -0.007,625 0.014,626 -0.031,627 -0.032,628 -0.033,629 0.047,630 -0.037,631 -0.054,632 0.016,633 0.015,634 -0.064,635 0.037,636 -0.043,637 -0.007,638 -0.004,639 -0.071,641 -0.082,642 -0.011,643 -0.071,644 -0.043,645 0.024,646 -0.211,647 -0.2,648 -0.248,649 0.011,650 -0.283,651 -0.023,652 -0.04,653 -0.027,654 -0.021,655 -0.013,656 -0.025,657 2.561,658 6.921,659 0.447,660 38.809,661 1.017,662 1.134,663 -0.231,664 0.054,665 0.617,666 3.738,667 4.174,668 4.543,669 4.934,670 5.293,671 5.568,672 5.802,673 6.011,674 6.146,675 6.223,676 6.266,677 0.595,678 535.65,679 3.738,680 5.352,681 6.263,682 7.226,683 8.178,684 9.155,685 10.124,686 11.109,687 12.086,688 13.075,689 1.3,692 1,731 75,733 6,735 41,737 78,738 27,742 8,746 4,747 10,752 4,753 2,754 2,755 6,756 1,758 7,761 9,762 18,763 1,766 6,771 3,773 1,775 8,781 37,782 11,783 4,784 11,790 1,794 0.25,795 10,796 1,797 2,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 4,839 1,840 1,844 5,848 38,853 4,854 6,856 3,858 5,859 1,860 2,870 13.3,871 3,872 1,873 3,874 1,875 2,877 22.167,878 14.5,879 8.264,880 4.344,881 1.171,882 1.135,883 0.841,884 7.985,885 9.861,886 3.871,887 4.407,888 4.927,889 5.442,890 5.958,891 6.335,892 6.669,893 6.97,894 7.2,895 7.343,896 1,897 79,898 14.54,900 6.816,901 8.158,902 26.535,904 23.032,905 2.658,906 101,910 388.446,911 101.363,912 3.124,914 279.168,917 101.363,918 667.614,919 3.124,920 45.755,921 23.349,922 128.05,923 148.634,924 37.866,925 11.771,926 376.675,928 388.446,929 104.487,930 279.168,933 341.362,934 187.202,935 139.05,937 43.902,938 60.585,941 388.446,942 282.292,943 101.363,946 388.446,947 46.56,948 57.927,950 279.168,951 388.446,952 282.292,953 101.363,955 0.601,956 0.366,957 0.208,958 0.128,959 32,960 18,961 0.103,962 8,963 3,964 1.353,965 4.072,966 425.079,967 0.353,968 17,969 199.421,974 28.931,975 10.488,976 4.587,978 282.292,986 170.733,987 772.101,988 47,993 39.41,995 1.361,997 -1.988,999 76.28,1000 85.066,1001 0.241,1002 0.583,1003 0.857,1004 0.919,1005 0.923,1006 0.923,1007 5.236,1008 2.032,1009 6.354,1010 6.686,1011 4.86,1012 5.094,1013 3.096,1014 7.373,1015 4.797,1016 6.479,1017 1.886,1018 8.058,1019 5.939,1020 4.89,1021 5.198,1022 2.283,1023 8.902,1024 4.837,1025 7.854,1026 1.771,1027 9.881,1028 4.939,1029 6.701,1030 7.194,1031 4.235,1032 12.11,1033 6.616,1034 9.265,1035 1.617,1036 11.777,1037 4.807,1038 7.518,1039 8.071,1040 4.273,1041 14.468,1042 7.45,1043 10.714,1044 1.308,1045 13.723,1046 4.599,1047 8.938,1048 9.671,1049 5.712,1050 17.334,1051 8.853,1052 12.191,1053 1.093,1054 15.705,1055 3.488,1056 10.069,1057 10.87,1058 6.176,1059 19.97,1060 9.992,1061 13.69,1062 0.693,1063 17.713,1064 2.645,1065 11.394,1066 12.357,1067 7.348,1068 22.757,1069 11.308,1070 3.849,1071 0.52,1072 19.741,1073 1.597,1074 12.643,1075 13.698,1076 8.027,1077 25.483,1078 12.558,1079 3.575,1080 16.383,1081 21.784,1082 1.195,1083 13.954,1084 15.155,1085 9.063,1086 28.255,1087 13.862,1088 2.851,1089 14.589,1090 23.838,1091 4.407,1092 15.249,1093 16.562,1094 9.85,1095 31.012,1096 15.152,1097 2.789,1098 10.485,1099 25.902,1100 3.784,1101 16.564,1102 18.017,1103 10.818,1104 33.784,1105 16.461,1106 2.536,1107 10.002,1108 27.973,1109 3.405,1110 17.877,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.408,1116 8.04,1117 30.05,1118 3.184,1119 19.198,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.213,1125 7.329,1126 32.131,1127 2.9,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 16219,1134 28419,1135 25.085,1136 46.256,1137 64.5,1138 67.379,1139 70.692,1140 63.159,1141 63.205,1142 70.652,1143 14.924,1144 207.081,1145 60.84,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 27.925,1156 1.573,1157 1.643,1158 1.724,1159 1.54,1160 1.542,1161 1.723,1162 0.364,1163 5.051,1164 1.484,1165 4.128,1166 4.144,1167 4.082,1168 4.051,1169 7.437,1170 4.055,1171 3.884,1172 3.912,1173 3.813,1174 3.775,1175 7.431,1176 3.779,1177 3.713,1178 3.765,1179 3.602,1180 3.525,1181 7.427,1182 3.536,1183 3.578,1184 3.595,1185 3.492,1186 3.36,1187 6.499,1188 3.38,1189 3.514,1190 3.536,1191 3.44,1192 3.291,1193 6.459,1194 3.317,1195 3.465,1196 3.494,1197 3.36,1198 3.267,1199 6.448,1200 3.286,1201 3.314,1202 3.38,1203 3.161,1204 3.14,1205 6.403,1206 3.131,1207 3.265,1208 3.315,1209 3.105,1210 2.995,1211 4.712,1212 3.001,1213 0.122,1214 0.103,1215 0.202,1216 0.118,1217 0.094,1218 5.02,1219 0.107,1220 4.232,1221 0.06,1222 8.266,1223 0.4,1224 4.842,1225 0.093,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.776,1238 1.748,1239 1.93,1240 1.941,1241 1.268,1242 1.937,1243 1.646,1244 1.594,1245 1.864,1246 1.863,1247 1.188,1248 1.863,1249 1.58,1250 1.529,1251 1.825,1252 1.767,1253 1.137,1254 1.786,1255 1.44,1256 1.408,1257 1.696,1258 1.705,1259 0.827,1260 1.692,1261 1.418,1262 1.379,1263 1.664,1264 1.675,1265 0.787,1266 1.67,1267 1.353,1268 1.317,1269 1.628,1270 1.605,1271 0.718,1272 1.611,1273 1.202,1274 1.144,1275 1.5,1276 1.468,1277 0.669,1278 1.469,1279 4.419,1281 5.826,1282 2.398,1283 7.444,1284 4.844,1285 9.181,1286 7.034,1287 10.995,1289 7.868,1294 41.443,1295 0.621,1297 16.998,1299 -4.099,1300 1.456,1301 -2.071,1305 44.652,1306 112.81,1307 272.142,1308 400.367,1309 429.387,1310 431.387,1311 431.387,1312 166.468,1313 8.691,1314 163.06,1315 163.06,1316 23,1317 13.542,1318 2.807,1319 2.807,1320 66.718,1321 137,1322 194,1323 0.241,1324 269.382,1325 509.28,1326 649.053,1327 66810,1329 28.154,1330 0.741,1331 0.589,1332 28.154,1333 22.392,1334 17.804,1335 0.434,1336 0.312,1337 12.547,1338 16.804,1339 12.116,1340 9.929,1341 17.804,1342 12.802,1343 17.35,1344 0.271,1345 0.175,1346 17.35,1347 11.204,1348 14.728,1349 0.158,1350 0.094,1351 14.728,1352 8.715,1353 12.811,1354 0.093,1355 0.05,1356 12.811,1357 6.936,1358 11.083,1359 0.056,1360 0.025,1361 11.083,1362 5.044,1363 0.358,1364 114.531,1365 0.2,1366 32.79,1367 0.737,1368 210,1369 690.657,1370 236.88,1371 630.127,1372 821.99,1373 584,1374 262,1375 561.567,1376 288.804,1377 562.544,1378 841.74,1379 524,1380 6.701}
{0 CHEMBL409671,1 1.471,2 11.625,3 1.212,4 1.469,5 150.872,6 6.676,8 4.507,9 4.622,10 3.959,11 3.953,12 5.541,13 3.929,14 5.131,15 5.32,16 4.392,17 4.412,18 6.121,19 4.374,20 5.442,21 5.622,22 4.633,23 4.714,24 6.471,25 4.656,26 5.701,27 5.904,28 4.767,29 4.874,30 6.69,31 4.798,32 5.854,33 6.075,34 4.873,35 4.895,36 6.967,37 4.837,38 5.818,39 6.013,40 4.843,41 4.881,42 7.036,43 4.83,44 5.831,45 6.031,46 4.715,47 4.867,48 7.048,49 4.771,50 5.849,51 6.118,52 4.484,53 4.726,54 6.873,55 4.594,56 0.073,57 1.135,58 20.082,59 8.424,60 18.95,61 11.294,62 0.641,63 1.88,64 39.521,65 13.863,66 64.247,67 19.426,68 0.767,69 2.528,70 53.72,71 19.886,72 100.885,73 27.246,74 0.751,75 3.054,76 69.954,77 24.979,78 115.51,79 34.91,80 1.801,81 3.239,82 84.659,83 25.679,84 213.409,85 36.791,86 1.977,87 3.15,88 82.198,89 24.627,90 267.987,91 34.466,92 1.975,93 3.155,94 82.748,95 25.794,96 286.284,97 36.379,98 1.858,99 2.916,100 85.444,101 23.981,102 250.119,103 35.94,104 174,105 66,106 0.225,107 0.517,108 0.787,109 0.862,110 0.862,111 0.862,112 3.719,113 0.996,114 -2.31,115 -2.34,116 -2.31,119 35.7,120 5,121 3,122 1,123 2,124 2,125 5,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 12,211 3,212 21,215 4,217 3,220 11,223 4,224 11,227 3,229 4,232 10,236 8,237 14,240 1,241 1,242 3,245 7,249 1,250 9,253 3,255 2,258 2,262 3,263 11,266 1,271 2,275 3160,276 26.045,277 26.045,278 26.045,279 26.045,280 26.045,281 25.003,282 35.057,283 14.661,284 26.73,285 20.935,286 20.935,287 20.935,288 20.935,289 20.935,290 19.023,291 43.557,292 6.6,293 21.843,294 4.922,295 3.014,296 1.248,297 0.753,298 0.753,299 0.753,300 4.398,305 1,306 970,307 5.339,310 72.637,311 220.79,314 121.124,315 244.474,318 1.775,319 73.209,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.81,330 89,331 465,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.831,354 2.848,355 3.404,356 1.148,357 10.485,358 2.803,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.001,367 2.777,368 3.722,369 3.461,370 5.941,371 3.454,372 2.52,373 2.898,374 0.8,375 8.03,376 2.353,377 3.566,378 2.896,379 5.762,380 3.375,381 2.44,382 2.73,383 0.8,384 7.32,385 2.265,386 3.487,387 2.846,388 5.361,389 3.184,390 2.222,391 2.506,392 0.525,393 6.728,394 2.125,395 3.306,396 2.688,397 5.299,398 3.088,399 2.162,400 2.346,402 6.055,403 1.99,404 3.132,405 2.528,406 5.098,407 2.954,408 1.98,409 2.143,411 5.642,412 1.908,413 2.907,414 2.372,415 4.945,416 2.761,417 1.782,418 1.9,420 4.939,421 1.725,422 2.656,423 2.088,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.471,431 1.841,432 4.282,433 2.269,434 1.312,435 1.417,436 3.488,437 1.242,438 2.422,439 1.717,440 4.115,441 2.039,442 1.111,443 1.272,445 2.731,446 1.017,447 2.112,448 1.595,449 3.821,450 1.743,451 0.798,452 0.911,454 1.726,455 0.744,456 1.839,457 1.235,458 3.744,459 1.591,460 0.618,461 0.663,463 1.322,464 0.6,465 18.467,466 0.462,467 1.416,468 0.035,469 34.75,470 0.869,471 9,472 0.225,473 25.75,474 0.644,475 61.906,476 1.548,477 48.133,478 0.573,479 36.488,480 0.912,481 6.428,482 0.161,483 12.414,484 0.31,485 0.28,486 0.054,487 0.368,493 0.801,494 1.532,495 0.891,496 1.366,497 0.704,498 1.176,499 0.878,500 0.951,501 0.826,502 0.885,503 0.558,504 0.834,505 0.895,506 1.085,507 0.96,508 1.106,509 0.757,510 1.049,511 0.896,512 1.243,513 0.938,514 1.23,515 0.915,516 1.117,517 1.081,518 1.007,519 0.9,520 0.974,521 1.019,522 0.908,523 1.356,524 1.028,525 1.112,526 1.021,527 1.45,528 1.014,529 1.177,530 1.216,531 1.226,532 1.251,533 1.355,534 1.256,535 1.142,536 0.926,537 0.996,538 0.901,539 1.199,540 0.919,541 11,542 0.308,543 6.889,544 5.229,545 5.306,546 3.448,547 2.331,548 1.375,549 0.877,550 0.573,551 19252,552 47728,553 1.938,554 52.4,555 9,556 19,557 1,559 2,560 3,561 10,564 1.811,565 1.727,566 3.385,567 0.149,573 123.533,574 1.471,575 3.378,576 5.145,577 5.639,578 5.639,579 5.639,580 2.912,581 4.922,582 5.283,583 3.62,584 2823.51,585 9.397,586 44164.9,591 536.955,592 1.788,593 5.187,594 0.256,595 0.008,596 0.104,597 0.064,598 0.059,599 0.036,600 0.025,601 0.018,602 0.015,603 0.011,604 0.595,605 0.33,606 0.75,607 1.799,608 217.331,609 -0.044,610 -0.175,611 0.046,612 -0.069,613 -0.063,614 -0.005,615 0.016,616 0.243,617 0.15,618 0.226,619 0.076,620 0.225,621 -0.007,622 0.097,623 0.005,624 0.038,625 0.022,626 0.03,627 -0.011,628 -0.149,629 0.024,630 -0.124,631 -0.048,632 -0.056,633 0.074,634 -0.001,635 0.12,636 0.022,637 0.047,638 0.075,639 -0.029,640 0.01,641 -0.061,642 -0.011,643 -0.02,644 -0.037,645 0.034,646 -0.187,647 -0.202,648 -0.224,649 0.004,650 -0.261,651 -0.032,652 -0.035,653 0.016,654 0.011,655 -0.044,656 0.02,657 2.461,658 7.056,659 0.425,660 45.15,661 1.004,662 1.136,663 1.079,664 1.164,665 0.615,666 3.784,667 4.205,668 4.575,669 4.949,670 5.308,671 5.58,672 5.802,673 6.016,674 6.159,675 6.238,676 6.83,677 0.581,678 560.76,679 3.784,680 5.389,681 6.297,682 7.252,683 8.201,684 9.172,685 10.139,686 11.119,687 12.095,688 13.081,689 2.4,692 2,731 84,733 6,735 43,737 87,738 30,742 8,746 4,747 10,752 5,753 2,754 2,755 6,756 1,758 6,761 9,762 21,763 1,766 6,771 3,773 1,775 8,781 44,782 10,783 2,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 1,844 7,848 40,853 2,854 8,856 3,858 4,859 2,860 2,870 9.5,871 1,872 1,873 3,874 1,875 2,877 23.167,878 16.967,879 8.847,880 5.394,881 1.201,882 1.137,883 0.874,884 9.038,885 9.981,886 3.912,887 4.431,888 4.949,889 5.451,890 5.964,891 6.339,892 6.664,893 6.974,894 7.211,895 7.357,896 0.875,897 82,898 15.252,900 6.925,901 7.917,902 28.607,904 24.484,905 2.417,906 96.667,910 494.386,911 125.33,912 6.249,914 193.801,917 125.33,918 688.187,919 6.249,920 63.405,921 29.666,922 42.683,923 148.634,924 40.991,925 11.771,926 482.615,928 494.386,929 131.579,930 193.801,933 376.675,934 257.829,935 53.683,937 70.993,938 60.585,941 494.386,942 200.05,943 125.33,946 494.386,947 52.877,948 78.702,950 193.801,951 494.386,952 200.05,953 125.33,955 0.595,956 0.367,957 0.205,958 0.124,959 32,960 18,961 0.115,962 10,963 3,964 1.353,965 4.258,966 448.479,967 0.353,968 17,969 208.877,974 30.922,975 11.691,976 5.125,978 200.05,986 85.367,987 819.766,988 49,993 39.827,995 1.63,997 -1.128,999 84.378,1000 95.391,1001 0.23,1002 0.529,1003 0.805,1004 0.882,1005 0.882,1006 0.882,1007 5.268,1008 2.162,1009 6.378,1010 6.728,1011 4.89,1012 5.118,1013 3.138,1014 7.388,1015 4.825,1016 6.5,1017 1.98,1018 8.076,1019 6.055,1020 4.89,1021 5.198,1022 2.321,1023 8.909,1024 4.834,1025 7.87,1026 1.782,1027 9.894,1028 5.642,1029 6.72,1030 7.206,1031 4.242,1032 12.114,1033 6.63,1034 9.277,1035 1.617,1036 11.787,1037 4.939,1038 7.523,1039 8.074,1040 4.278,1041 14.47,1042 7.451,1043 10.724,1044 1.312,1045 13.73,1046 4.604,1047 8.948,1048 9.676,1049 5.713,1050 17.334,1051 8.858,1052 12.198,1053 1.111,1054 15.71,1055 3.488,1056 10.072,1057 10.872,1058 6.177,1059 19.971,1060 9.993,1061 13.696,1062 0.798,1063 17.716,1064 2.731,1065 11.398,1066 12.358,1067 7.348,1068 22.757,1069 11.31,1070 3.849,1071 0.618,1072 19.743,1073 1.726,1074 12.645,1075 13.698,1076 8.027,1077 25.483,1078 12.558,1079 3.575,1080 16.383,1081 21.785,1082 1.322,1083 13.956,1084 15.156,1085 9.063,1086 28.255,1087 13.862,1088 2.848,1089 14.589,1090 23.84,1091 4.407,1092 15.249,1093 16.562,1094 9.85,1095 31.012,1096 15.152,1097 2.789,1098 10.485,1099 25.903,1100 3.784,1101 16.564,1102 18.017,1103 10.818,1104 33.784,1105 16.461,1106 2.52,1107 10.001,1108 27.974,1109 3.404,1110 17.877,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.44,1116 8.03,1117 30.05,1118 3.184,1119 19.198,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.222,1125 7.32,1126 32.131,1127 2.898,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 19360,1134 30670,1135 26.471,1136 51.637,1137 66.911,1138 69.34,1139 73.346,1140 65.686,1141 65.67,1142 73.116,1143 16.524,1144 212.559,1145 63.235,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 29.089,1156 1.556,1157 1.613,1158 1.706,1159 1.528,1160 1.527,1161 1.7,1162 0.384,1163 4.943,1164 1.471,1165 4.129,1166 4.146,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.885,1172 3.917,1173 3.813,1174 3.776,1175 7.431,1176 3.779,1177 3.767,1178 3.838,1179 3.638,1180 3.572,1181 7.427,1182 3.578,1183 3.599,1184 3.651,1185 3.508,1186 3.419,1187 6.46,1188 3.429,1189 3.546,1190 3.583,1191 3.453,1192 3.312,1193 6.448,1194 3.333,1195 3.513,1196 3.53,1197 3.416,1198 3.288,1199 4.714,1200 3.317,1201 3.352,1202 3.407,1203 3.219,1204 3.168,1205 4.557,1206 3.166,1207 3.306,1208 3.401,1209 3.155,1210 3.123,1211 4.449,1212 3.109,1213 0.117,1214 0.098,1215 0.192,1216 0.113,1217 0.09,1218 5.02,1219 0.102,1220 4.232,1221 0.057,1222 8.266,1223 0.381,1224 4.842,1225 0.089,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.781,1238 1.748,1239 1.972,1240 1.969,1241 1.27,1242 1.974,1243 1.71,1244 1.639,1245 1.915,1246 1.903,1247 1.225,1248 1.906,1249 1.591,1250 1.539,1251 1.832,1252 1.778,1253 1.186,1254 1.796,1255 1.526,1256 1.46,1257 1.788,1258 1.754,1259 0.988,1260 1.768,1261 1.431,1262 1.397,1263 1.725,1264 1.704,1265 0.869,1266 1.692,1267 1.386,1268 1.347,1269 1.696,1270 1.646,1271 0.815,1272 1.647,1273 1.351,1274 1.256,1275 1.653,1276 1.584,1277 0.768,1278 1.638,1279 4.466,1281 5.861,1282 2.398,1283 7.47,1284 4.844,1285 9.201,1286 7.034,1287 11.008,1289 12.539,1294 22.561,1295 4.525,1297 17.292,1299 -2.766,1300 4.11,1301 -1.925,1305 48.824,1306 123.533,1307 283.785,1308 432.161,1309 473.67,1310 473.67,1311 473.67,1312 164.246,1313 8.781,1314 125.84,1315 125.84,1316 23,1317 13.55,1318 2.807,1319 2.807,1320 72.531,1321 156,1322 216,1323 0.228,1324 296.961,1325 554.6,1326 716.346,1327 76240,1329 29.568,1330 0.739,1331 0.62,1332 29.568,1333 24.782,1334 18.842,1335 0.438,1336 0.332,1337 14.026,1338 17.868,1339 13.47,1340 11.13,1341 18.842,1342 14.274,1343 17.861,1344 0.271,1345 0.181,1346 17.861,1347 11.936,1348 15.448,1349 0.161,1350 0.101,1351 15.448,1352 9.669,1353 13.196,1354 0.094,1355 0.053,1356 13.196,1357 7.396,1358 11.365,1359 0.057,1360 0.026,1361 11.365,1362 5.297,1363 0.342,1364 120.087,1365 0.194,1366 34.503,1367 0.679,1368 218,1369 654.003,1370 243.419,1371 601.817,1372 798.31,1373 560,1374 271,1375 560.892,1376 296.675,1377 562.501,1378 841.88,1379 525,1380 7.301}
{0 CHEMBL410071,1 1.502,2 11.575,3 0.452,4 0.205,5 141.738,6 7.268,8 4.449,9 4.544,10 3.971,11 3.917,12 5.554,13 3.914,14 5.072,15 5.226,16 4.434,17 4.408,18 6.188,19 4.386,20 5.432,21 5.596,22 4.661,23 4.705,24 6.521,25 4.66,26 5.669,27 5.859,28 4.77,29 4.821,30 6.74,31 4.768,32 5.758,33 5.95,34 4.862,35 4.819,36 6.964,37 4.787,38 5.72,39 5.89,40 4.844,41 4.811,42 7.002,43 4.787,44 5.756,45 5.933,46 4.732,47 4.812,48 7.033,49 4.748,50 5.784,51 6.029,52 4.485,53 4.691,54 6.872,55 4.58,56 0.194,57 1.035,58 16.892,59 7.989,60 32.634,61 9.789,62 0.812,63 1.783,64 34.716,65 13.829,66 106.248,67 17.879,68 1.018,69 2.466,70 50.393,71 19.759,72 148.16,73 25.708,74 1.311,75 2.908,76 66.516,77 23.747,78 196.766,79 31.647,80 2.295,81 2.971,82 75.971,83 23.955,84 279.69,85 32.016,86 2.224,87 2.912,88 71.982,89 22.936,90 304.558,91 29.878,92 2.31,93 2.98,94 74.817,95 24.176,96 337.993,97 31.878,98 2.259,99 2.852,100 81.682,101 23.609,102 310.397,103 33.648,104 135,105 69,106 0.233,107 0.554,108 0.809,109 0.876,110 0.876,111 0.876,112 3.719,113 0.942,114 -2.12,115 -2.17,116 -2.15,119 37.7,120 3,121 5,122 2,123 2,124 1,125 3,127 3,136 4,137 1,138 1,156 1,158 3,167 1,170 1,172 13,173 1,174 2,175 12,178 1,180 4,183 16,184 2,186 1,187 15,190 1,192 9,195 15,198 2,199 16,200 1,204 4,207 13,211 4,212 18,215 5,217 3,220 14,223 4,224 14,227 3,229 4,232 13,233 1,236 6,237 16,240 1,241 1,242 6,245 10,246 1,249 1,250 10,251 2,253 2,255 4,258 4,259 1,262 4,263 12,266 3,268 1,269 1,271 5,272 2,275 3084,276 25.959,277 25.959,278 25.959,279 25.959,280 25.959,281 24.734,282 34.94,283 14.505,284 26.461,285 21.565,286 21.565,287 21.565,288 21.565,289 21.565,290 19.378,291 45.177,292 6.685,293 22.272,294 4.764,295 2.686,296 1.042,297 0.611,298 0.611,299 0.611,300 4.41,306 991,307 4.743,310 70.963,311 315.33,314 118.282,315 237.669,318 1.725,319 87.416,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 90.5,331 463,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 2.341,348 14.589,349 3.543,350 4.172,351 3.725,352 6.696,353 3.851,354 2.871,355 3.407,356 1.674,357 10.49,358 2.814,359 4.015,360 3.65,361 6.588,362 3.79,363 2.791,364 3.184,365 1.148,366 10.006,367 2.784,368 3.907,369 3.56,370 5.958,371 3.742,372 2.749,373 3.048,374 0.86,375 8.263,376 2.723,377 3.719,378 3.461,379 5.916,380 3.436,381 2.485,382 2.896,383 0.8,384 8.02,385 2.346,386 3.566,387 2.901,388 5.764,389 3.217,390 2.27,391 2.73,392 0.525,393 7.339,394 2.141,395 3.408,396 2.839,397 5.361,398 3.164,399 2.204,400 2.467,402 6.609,403 2.089,404 3.185,405 2.595,406 5.261,407 2.969,408 1.993,409 2.205,411 5.893,412 1.926,413 2.928,414 2.373,415 5.085,416 2.766,417 1.785,418 1.92,420 4.939,421 1.732,422 2.659,423 2.1,424 4.624,425 2.578,426 1.617,427 1.649,428 4.605,429 1.544,430 2.618,431 1.997,432 4.282,433 2.298,434 1.332,435 1.533,436 3.488,437 1.27,438 2.449,439 1.84,440 4.125,441 2.251,442 1.263,443 1.396,445 3.068,446 1.231,447 2.344,448 1.714,449 3.859,450 2.002,451 1.083,452 1.208,454 2.619,455 0.983,456 2.11,457 1.583,458 3.811,459 1.984,460 1,461 1,463 2.275,464 0.981,465 18.233,466 0.456,467 1.506,468 0.038,469 36.5,470 0.913,471 10.5,472 0.263,473 26,474 0.65,475 59.207,476 1.48,477 47.167,478 0.613,479 38.287,480 0.957,481 6.641,482 0.166,483 12.198,484 0.305,485 0.238,486 0.055,487 0.406,493 0.793,494 1.339,495 0.807,496 1.237,497 0.696,498 1.059,499 0.723,500 1.001,501 0.777,502 0.959,503 0.49,504 0.887,505 0.822,506 1.155,507 0.936,508 1.144,509 0.722,510 1.08,511 0.929,512 1.163,513 0.95,514 1.155,515 0.925,516 1.075,517 1.055,518 0.997,519 0.932,520 0.973,521 1.001,522 0.931,523 1.199,524 1.054,525 1.079,526 1.043,527 1.187,528 1.028,529 1.156,530 1.19,531 1.24,532 1.218,533 1.188,534 1.249,535 1.068,536 0.965,537 1.066,538 0.963,539 1.028,540 1.007,541 11,542 0.341,543 7.111,544 5.229,545 5.328,546 3.524,547 2.39,548 1.396,549 0.848,550 0.509,551 20157,552 59982,553 1.992,554 48.1,555 9,556 12,557 1,559 3,560 4,561 8,564 1.81,565 1.778,566 3.376,567 0.781,573 115.692,574 1.502,575 3.581,576 5.225,577 5.656,578 5.656,579 5.656,580 2.918,581 4.922,582 5.285,583 3.597,584 2806,585 9.398,586 43436.9,591 482.543,592 1.78,593 5.194,594 0.25,595 0.009,596 0.103,597 0.062,598 0.059,599 0.037,600 0.025,601 0.018,602 0.014,603 0.01,604 0.587,605 0.33,606 0.63,607 1.142,608 216.715,609 -0.074,610 -0.049,611 0.03,612 0.01,613 -0.06,614 0.041,615 0.06,616 0.177,617 0.118,618 0.174,619 0.114,620 0.168,621 -0.027,622 -0.019,623 -0.033,624 -0.026,625 -0.006,626 -0.029,627 -0.061,628 -0.106,629 -0.01,630 -0.097,631 -0.086,632 -0.05,633 0.029,634 0.004,635 0.066,636 0.023,637 -0.023,638 0.047,639 -0.055,640 -0.015,641 -0.082,642 -0.033,643 -0.049,644 -0.059,645 -0.056,646 -0.165,647 -0.252,648 -0.204,649 -0.056,650 -0.271,651 -0.075,652 -0.049,653 -0.054,654 -0.032,655 -0.065,656 -0.037,657 2.532,658 7.029,659 0.575,660 43.155,661 1.017,662 1.131,663 0.895,664 0.8,665 0.627,666 3.807,667 4.248,668 4.625,669 5.004,670 5.371,671 5.638,672 5.866,673 6.087,674 6.256,675 6.363,676 6.712,677 0.606,678 559.67,679 3.807,680 5.425,681 6.34,682 7.299,683 8.25,684 9.221,685 10.187,686 11.166,687 12.14,688 13.124,689 1.3,692 1,731 77,733 7,735 44,737 81,738 29,742 8,746 5,747 11,752 3,753 2,754 2,755 8,756 2,758 8,761 10,762 19,763 2,766 7,771 4,773 1,775 9,781 37,782 11,783 3,784 11,790 1,794 0.4,795 10,797 1,811 1,812 4,815 1,816 2,824 1,828 1,829 2,831 1,832 4,836 1,838 3,839 1,840 2,844 4,848 40,853 3,854 8,856 3,858 5,859 1,860 2,870 13,871 1,872 2,873 4,874 1,875 2,877 22.5,878 14.717,879 8.542,880 4.753,881 1.356,882 1.149,883 0.876,884 7.642,885 10.429,886 3.951,887 4.489,888 4.997,889 5.497,890 6.009,891 6.394,892 6.731,893 7.054,894 7.326,895 7.505,896 0.875,897 84,898 15.318,900 7.274,901 8.117,902 28.205,904 25.035,905 2.617,906 104.667,910 400.217,911 101.051,912 3.124,914 261.629,917 101.051,918 661.847,919 3.124,920 37.359,921 30.524,922 42.683,923 217.372,924 37.866,925 11.771,926 388.446,928 400.217,929 104.175,930 261.629,933 306.049,934 302.115,935 53.683,937 51.076,938 53.099,941 400.217,942 264.754,943 101.051,946 400.217,947 54.645,948 49.53,950 261.629,951 400.217,952 264.754,953 101.051,955 0.606,956 0.369,957 0.207,958 0.127,959 36,960 19,961 0.074,962 6,963 3,964 1.261,965 4.303,966 462.324,967 0.261,968 23,969 208.877,974 29.152,975 10.485,976 4.525,978 264.754,986 128.05,987 766.022,988 51,993 51.172,995 1.541,997 -2.506,999 78.28,1000 87.066,1001 0.24,1002 0.571,1003 0.834,1004 0.903,1005 0.903,1006 0.903,1007 5.318,1008 2.204,1009 6.425,1010 7.339,1011 4.934,1012 5.176,1013 3.423,1014 7.434,1015 4.883,1016 6.555,1017 1.993,1018 8.122,1019 6.609,1020 4.934,1021 5.263,1022 2.903,1023 8.936,1024 4.891,1025 7.927,1026 1.785,1027 9.937,1028 5.893,1029 6.765,1030 7.262,1031 4.661,1032 12.139,1033 6.692,1034 9.333,1035 1.617,1036 11.826,1037 4.939,1038 7.561,1039 8.126,1040 4.882,1041 14.483,1042 7.501,1043 10.777,1044 1.332,1045 13.764,1046 4.605,1047 8.987,1048 9.72,1049 6.18,1050 17.344,1051 8.909,1052 12.247,1053 1.263,1054 15.739,1055 3.488,1056 10.102,1057 10.908,1058 6.735,1059 19.975,1060 10.03,1061 13.74,1062 1.083,1063 17.74,1064 3.068,1065 11.426,1066 12.388,1067 7.822,1068 22.76,1069 11.344,1070 3.849,1071 1,1072 19.763,1073 2.619,1074 12.666,1075 13.721,1076 8.539,1077 25.485,1078 12.583,1079 3.575,1080 16.383,1081 21.801,1082 2.275,1083 13.974,1084 15.173,1085 9.523,1086 28.256,1087 13.883,1088 2.871,1089 14.589,1090 23.852,1091 4.407,1092 15.263,1093 16.575,1094 10.321,1095 31.012,1096 15.168,1097 2.791,1098 10.49,1099 25.912,1100 3.784,1101 16.575,1102 18.027,1103 11.255,1104 33.785,1105 16.473,1106 2.749,1107 10.006,1108 27.981,1109 3.407,1110 17.885,1111 19.463,1112 12.095,1113 36.554,1114 17.777,1115 2.485,1116 8.263,1117 30.055,1118 3.184,1119 19.205,1120 20.921,1121 13.003,1122 39.33,1123 19.089,1124 2.27,1125 8.02,1126 32.135,1127 3.048,1128 20.525,1129 22.376,1130 13.865,1131 42.107,1132 20.402,1133 19632,1134 33927,1135 27.57,1136 48.256,1137 69.949,1138 72.6,1139 74.797,1140 68.523,1141 68.492,1142 77.041,1143 19.606,1144 223.722,1145 66.469,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 27.81,1156 1.59,1157 1.65,1158 1.7,1159 1.557,1160 1.557,1161 1.751,1162 0.446,1163 5.085,1164 1.511,1165 4.131,1166 4.148,1167 4.084,1168 4.053,1169 7.474,1170 4.057,1171 3.91,1172 3.952,1173 3.828,1174 3.789,1175 7.437,1176 3.793,1177 3.831,1178 3.862,1179 3.737,1180 3.702,1181 7.431,1182 3.702,1183 3.582,1184 3.599,1185 3.503,1186 3.387,1187 7.427,1188 3.405,1189 3.514,1190 3.538,1191 3.447,1192 3.292,1193 6.46,1194 3.317,1195 3.48,1196 3.496,1197 3.393,1198 3.28,1199 6.448,1200 3.304,1201 3.316,1202 3.377,1203 3.201,1204 3.14,1205 6.351,1206 3.132,1207 3.277,1208 3.307,1209 3.155,1210 2.993,1211 4.713,1212 3.021,1213 0.114,1214 0.096,1215 0.188,1216 0.11,1217 0.087,1218 5.02,1219 0.1,1220 4.232,1221 0.056,1222 8.266,1223 0.372,1224 4.842,1225 0.087,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.033,1232 2.022,1233 2.118,1234 2.13,1235 1.521,1236 2.123,1237 1.851,1238 1.805,1239 2.038,1240 2.021,1241 1.405,1242 2.029,1243 1.743,1244 1.714,1245 1.908,1246 1.897,1247 1.262,1248 1.898,1249 1.585,1250 1.536,1251 1.828,1252 1.768,1253 1.187,1254 1.787,1255 1.446,1256 1.414,1257 1.696,1258 1.705,1259 0.826,1260 1.692,1261 1.421,1262 1.384,1263 1.66,1264 1.673,1265 0.825,1266 1.666,1267 1.349,1268 1.319,1269 1.576,1270 1.577,1271 0.783,1272 1.569,1273 1.194,1274 1.143,1275 1.513,1276 1.467,1277 0.698,1278 1.459,1279 4.489,1281 5.9,1282 2.398,1283 7.521,1284 4.844,1285 9.257,1286 7.034,1287 11.064,1289 6.379,1294 31.869,1295 2.709,1297 17.167,1299 -3.434,1300 1.802,1301 -2.032,1305 46.652,1306 115.692,1307 275.713,1308 402.304,1309 435.523,1310 435.523,1311 435.523,1312 159.03,1313 9.073,1314 159.9,1315 159.9,1316 29,1317 13.594,1318 3,1319 3,1320 63.262,1321 154,1322 214,1323 0.201,1324 278.246,1325 528.88,1326 670.681,1327 110887,1329 29.146,1330 0.729,1331 0.582,1332 29.146,1333 23.268,1334 18.838,1335 0.428,1336 0.314,1337 13.572,1338 17.852,1339 13.186,1340 10.747,1341 18.838,1342 13.813,1343 18.521,1344 0.268,1345 0.175,1346 18.521,1347 12.077,1348 15.991,1349 0.158,1350 0.097,1351 15.991,1352 9.846,1353 13.872,1354 0.094,1355 0.052,1356 13.872,1357 7.73,1358 12.144,1359 0.057,1360 0.027,1361 12.144,1362 5.777,1363 0.301,1364 120.524,1365 0.19,1366 34.427,1367 0.6,1368 226,1369 728.243,1370 254.099,1371 667.694,1372 875.65,1373 618,1374 283,1375 608.798,1376 310.137,1377 606.845,1378 908.5,1379 568,1380 7.481}
{0 CHEMBL410637,1 1.511,2 10.684,3 0.333,4 0.111,5 139.407,6 6.983,8 4.43,9 4.537,10 3.93,11 3.888,12 5.477,13 3.877,14 5.064,15 5.238,16 4.385,17 4.373,18 6.078,19 4.348,20 5.392,21 5.56,22 4.611,23 4.681,24 6.442,25 4.628,26 5.647,27 5.851,28 4.72,29 4.811,30 6.645,31 4.74,32 5.742,33 5.946,34 4.832,35 4.804,36 6.899,37 4.766,38 5.7,39 5.867,40 4.826,41 4.796,42 6.979,43 4.77,44 5.751,45 5.933,46 4.713,47 4.796,48 7.013,49 4.726,50 5.769,51 6.019,52 4.434,53 4.665,54 6.834,55 4.542,56 0.111,57 1.05,58 17.548,59 7.626,60 20.119,61 9.936,62 0.687,63 1.789,64 35.894,65 12.877,66 65.43,67 17.564,68 0.816,69 2.428,70 49.479,71 19.068,72 104.336,73 25.415,74 0.907,75 2.87,76 65.642,77 23.725,78 126.972,79 32.557,80 1.86,81 2.922,82 75.24,83 23.466,84 214.105,85 32.32,86 1.953,87 2.851,88 71.65,89 22.328,90 263.358,91 29.641,92 2.131,93 2.939,94 75.793,95 23.619,96 294.387,97 32.107,98 1.956,99 2.775,100 79.716,101 22.623,102 255.493,103 33.052,104 109,105 66,106 0.235,107 0.548,108 0.814,109 0.866,110 0.866,111 0.866,112 3.669,113 0.954,114 -1.92,115 -1.98,116 -1.98,119 36.8,120 3,121 3,122 1,123 2,124 2,125 5,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 9,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 11,211 3,212 19,215 4,217 3,220 11,223 4,224 11,227 3,229 4,232 10,236 8,237 14,240 1,241 1,242 3,245 5,249 1,250 9,253 3,255 2,262 3,263 7,266 1,275 2608,276 24.752,277 24.752,278 24.752,279 24.752,280 24.752,281 23.71,282 33.013,283 13.869,284 25.367,285 20.597,286 20.597,287 20.597,288 20.597,289 20.597,290 18.695,291 42.521,292 6.426,293 21.474,294 4.737,295 2.724,296 1.017,297 0.681,298 0.681,299 0.681,300 4.362,305 1,306 873,307 4.416,310 64.948,311 289.095,314 108.154,315 218.045,318 1.596,319 72.371,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 85,331 406,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.171,351 3.65,352 6.696,353 3.839,354 2.86,355 3.406,356 1.148,357 10.49,358 2.806,359 4.015,360 3.56,361 6.588,362 3.789,363 2.79,364 3.184,365 0.86,366 10.006,367 2.779,368 3.739,369 3.461,370 5.947,371 3.517,372 2.589,373 2.906,374 0.8,375 8.085,376 2.4,377 3.577,378 2.957,379 5.766,380 3.383,381 2.431,382 2.73,383 0.8,384 7.368,385 2.293,386 3.542,387 2.881,388 5.379,389 3.18,390 2.214,391 2.59,392 0.525,393 6.937,394 2.121,395 3.249,396 2.639,397 5.357,398 3.011,399 2.077,400 2.284,402 5.959,403 1.944,404 3.074,405 2.455,406 5.09,407 2.917,408 1.963,409 2.079,411 5.601,412 1.844,413 2.899,414 2.371,415 4.88,416 2.758,417 1.781,418 1.892,420 4.939,421 1.719,422 2.655,423 2.088,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.468,431 1.841,432 4.282,433 2.268,434 1.311,435 1.416,436 3.488,437 1.242,438 2.419,439 1.718,440 4.12,441 2.028,442 1.106,443 1.265,445 2.737,446 1.005,447 2.111,448 1.597,449 3.823,450 1.967,451 1,452 1,454 2.275,455 0.965,456 2,457 1.234,458 3.755,459 1.67,460 0.719,461 0.887,463 1.645,464 0.668,465 17.467,466 0.46,467 1.416,468 0.037,469 34.25,470 0.901,471 9,472 0.237,473 25.25,474 0.664,475 55.926,476 1.472,477 44.933,478 0.591,479 35.045,480 0.922,481 6.379,482 0.168,483 11.549,484 0.304,485 0.239,486 0.057,487 0.389,493 0.797,494 1.483,495 0.834,496 1.306,497 0.686,498 1.111,499 0.872,500 0.927,501 0.815,502 0.859,503 0.55,504 0.812,505 0.86,506 1.12,507 0.979,508 1.156,509 0.735,510 1.101,511 0.865,512 1.166,513 0.903,514 1.181,515 0.886,516 1.075,517 1.095,518 0.977,519 0.886,520 0.963,521 1.054,522 0.891,523 1.383,524 1.088,525 1.127,526 1.082,527 1.515,528 1.054,529 1.259,530 1.178,531 1.248,532 1.215,533 1.424,534 1.234,535 1.164,536 1.001,537 1.095,538 0.988,539 1.215,540 1.025,541 10.5,542 0.25,543 6.667,544 4.979,545 5.248,546 3.344,547 2.39,548 1.396,549 0.774,550 0.409,551 17139,552 44295,553 2.007,554 50,555 9,556 19,557 1,559 2,560 3,561 4,564 1.8,565 1.795,566 3.268,567 0.175,573 114.815,574 1.511,575 3.524,576 5.231,577 5.567,578 5.567,579 5.567,580 2.835,581 4.787,582 5.214,583 3.452,584 2426.45,585 9.265,586 36021.6,591 474.842,592 1.786,593 5.124,594 0.25,595 0.009,596 0.101,597 0.062,598 0.061,599 0.036,600 0.026,601 0.018,602 0.014,603 0.01,604 0.586,605 0.33,606 0.63,607 1.092,608 201.314,609 -0.055,610 -0.162,611 0.052,612 -0.052,613 -0.057,614 0.011,615 -0.004,616 0.264,617 0.129,618 0.241,619 0.069,620 0.228,621 -0.016,622 0.043,623 -0.051,624 -0.02,625 0.014,626 -0.037,627 -0.01,628 -0.116,629 0.042,630 -0.101,631 -0.045,632 -0.031,633 0.062,634 0.014,635 0.127,636 0.039,637 0.031,638 0.09,639 -0.047,640 -0.049,641 -0.094,642 -0.058,643 -0.048,644 -0.082,645 -0.009,646 -0.161,647 -0.228,648 -0.202,649 -0.023,650 -0.26,651 -0.066,652 -0.097,653 -0.078,654 -0.061,655 -0.066,656 -0.073,657 2.44,658 7.013,659 0.605,660 37.645,661 1.01,662 1.133,663 0.69,664 0.477,665 0.623,666 3.761,667 4.205,668 4.585,669 4.977,670 5.352,671 5.609,672 5.844,673 6.068,674 6.225,675 6.321,676 6.199,677 0.595,678 530.68,679 3.761,680 5.38,681 6.297,682 7.259,683 8.213,684 9.187,685 10.156,686 11.138,687 12.115,688 13.101,689 2.6,692 2,731 76,733 6,735 42,737 80,738 28,742 8,746 5,747 11,752 3,753 2,754 2,755 6,756 1,758 6,761 9,762 19,763 1,766 6,771 3,773 1,775 8,781 38,782 10,783 2,784 10,790 2,794 0.4,795 8,797 1,811 1,812 4,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 2,844 5,848 38,853 2,854 8,856 3,858 4,859 2,860 2,870 10.5,871 1,872 1,873 3,874 1,875 2,877 21.167,878 14.967,879 8.097,880 4.644,881 1.248,882 1.14,883 0.891,884 7.148,885 10.184,886 3.892,887 4.431,888 4.956,889 5.472,890 5.994,891 6.373,892 6.709,893 7.034,894 7.278,895 7.451,896 1,897 80,898 14.515,900 6.782,901 7.939,902 27.193,904 23.996,905 2.439,906 92.667,910 423.76,911 107.68,912 6.249,914 193.801,917 107.68,918 617.561,919 6.249,920 45.755,921 29.666,922 42.683,923 148.634,924 40.991,925 11.771,926 411.989,928 423.76,929 113.928,930 193.801,933 376.675,934 187.202,935 53.683,937 53.343,938 60.585,941 423.76,942 200.05,943 107.68,946 423.76,947 52.877,948 61.051,950 193.801,951 423.76,952 200.05,953 107.68,955 0.605,956 0.369,957 0.211,958 0.133,959 35,960 18,961 0.063,962 5,963 3,964 1.261,965 4.159,966 435.766,967 0.261,968 23,969 195.421,974 27.538,975 9.864,976 4.219,978 200.05,986 85.367,987 731.489,988 48,993 39.703,995 1.689,997 -0.994,999 76.727,1000 86.145,1001 0.242,1002 0.564,1003 0.837,1004 0.891,1005 0.891,1006 0.891,1007 5.263,1008 2.077,1009 6.382,1010 6.937,1011 4.89,1012 5.118,1013 3.138,1014 7.396,1015 4.825,1016 6.498,1017 1.963,1018 8.08,1019 5.959,1020 4.89,1021 5.198,1022 2.321,1023 8.909,1024 4.834,1025 7.871,1026 1.781,1027 9.897,1028 5.601,1029 6.725,1030 7.209,1031 4.242,1032 12.118,1033 6.634,1034 9.279,1035 1.617,1036 11.79,1037 4.939,1038 7.523,1039 8.074,1040 4.278,1041 14.471,1042 7.451,1043 10.726,1044 1.311,1045 13.732,1046 4.604,1047 8.954,1048 9.679,1049 5.713,1050 17.336,1051 8.863,1052 12.201,1053 1.106,1054 15.712,1055 3.488,1056 10.075,1057 10.873,1058 6.177,1059 19.971,1060 9.994,1061 13.698,1062 1,1063 17.718,1064 2.737,1065 11.403,1066 12.361,1067 7.348,1068 22.757,1069 11.313,1070 3.849,1071 0.719,1072 19.744,1073 2.275,1074 12.648,1075 13.7,1076 8.027,1077 25.483,1078 12.56,1079 3.575,1080 16.383,1081 21.786,1082 1.645,1083 13.96,1084 15.158,1085 9.063,1086 28.255,1087 13.864,1088 2.86,1089 14.589,1090 23.84,1091 4.407,1092 15.252,1093 16.563,1094 9.85,1095 31.012,1096 15.153,1097 2.79,1098 10.49,1099 25.904,1100 3.784,1101 16.567,1102 18.019,1103 10.818,1104 33.784,1105 16.462,1106 2.589,1107 10.006,1108 27.974,1109 3.406,1110 17.879,1111 19.457,1112 11.661,1113 36.554,1114 17.769,1115 2.431,1116 8.085,1117 30.05,1118 3.184,1119 19.2,1120 20.917,1121 12.594,1122 39.33,1123 19.083,1124 2.214,1125 7.368,1126 32.131,1127 2.906,1128 20.522,1129 22.372,1130 13.464,1131 42.107,1132 20.398,1133 16634,1134 26852,1135 26.471,1136 47.353,1137 66.549,1138 69,1139 71.421,1140 65.255,1141 65.24,1142 72.701,1143 16.524,1144 213.789,1145 62.807,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 25.311,1156 1.584,1157 1.643,1158 1.701,1159 1.554,1160 1.553,1161 1.731,1162 0.393,1163 5.09,1164 1.495,1165 4.13,1166 4.147,1167 4.084,1168 4.052,1169 7.437,1170 4.056,1171 3.898,1172 3.943,1173 3.821,1174 3.78,1175 7.431,1176 3.784,1177 3.799,1178 3.853,1179 3.689,1180 3.615,1181 7.427,1182 3.624,1183 3.58,1184 3.597,1185 3.497,1186 3.369,1187 6.46,1188 3.389,1189 3.514,1190 3.536,1191 3.442,1192 3.29,1193 6.448,1194 3.317,1195 3.454,1196 3.486,1197 3.359,1198 3.264,1199 4.714,1200 3.284,1201 3.311,1202 3.375,1203 3.159,1204 3.138,1205 4.557,1206 3.128,1207 3.238,1208 3.303,1209 3.051,1210 2.991,1211 4.461,1212 2.993,1213 0.12,1214 0.101,1215 0.197,1216 0.115,1217 0.092,1218 5.02,1219 0.105,1220 4.232,1221 0.058,1222 8.266,1223 0.39,1224 4.842,1225 0.091,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.129,1235 1.521,1236 2.123,1237 1.808,1238 1.763,1239 1.993,1240 2.011,1241 1.3,1242 2.012,1243 1.721,1244 1.667,1245 1.904,1246 1.895,1247 1.251,1248 1.896,1249 1.584,1250 1.533,1251 1.828,1252 1.768,1253 1.186,1254 1.787,1255 1.44,1256 1.408,1257 1.696,1258 1.705,1259 0.825,1260 1.692,1261 1.416,1262 1.376,1263 1.661,1264 1.67,1265 0.821,1266 1.666,1267 1.341,1268 1.305,1269 1.6,1270 1.568,1271 0.777,1272 1.578,1273 1.194,1274 1.142,1275 1.513,1276 1.467,1277 0.694,1278 1.462,1279 4.443,1281 5.855,1282 2.398,1283 7.479,1284 4.844,1285 9.22,1286 7.034,1287 11.032,1289 8.577,1294 22.502,1295 4.356,1297 17.268,1299 -2.721,1300 4.181,1301 -1.895,1305 45.244,1306 114.815,1307 267.808,1308 397.558,1309 423.068,1310 423.068,1311 423.068,1312 132.75,1313 8.936,1314 125.84,1315 125.84,1316 29,1317 13.57,1318 2.807,1319 2.807,1320 58.328,1321 136,1322 192,1323 0.211,1324 270.383,1325 507.64,1326 651.495,1327 92571,1329 27.568,1330 0.725,1331 0.6,1332 27.568,1333 22.782,1334 17.928,1335 0.427,1336 0.318,1337 13.112,1338 16.971,1339 12.663,1340 10.36,1341 17.928,1342 13.36,1343 17.622,1344 0.267,1345 0.178,1346 17.622,1347 11.767,1348 15.292,1349 0.158,1350 0.098,1351 15.292,1352 9.506,1353 13.346,1354 0.093,1355 0.051,1356 13.346,1357 7.406,1358 11.959,1359 0.057,1360 0.027,1361 11.959,1362 5.63,1363 0.313,1364 114.602,1365 0.194,1366 32.797,1367 0.646,1368 216,1369 652.003,1370 241.419,1371 599.372,1372 796.51,1373 558,1374 271,1375 560.892,1376 297.036,1377 562.512,1378 844.29,1379 525,1380 7.046}
{0 CHEMBL410643,1 1.484,2 11.564,3 0.577,4 0.333,5 146.242,6 6.75,8 4.474,9 4.588,10 3.937,11 3.918,12 5.522,13 3.898,14 5.097,15 5.284,16 4.371,17 4.385,18 6.098,19 4.351,20 5.402,21 5.569,22 4.604,23 4.69,24 6.453,25 4.63,26 5.69,27 5.906,28 4.738,29 4.834,30 6.67,31 4.76,32 5.775,33 5.976,34 4.853,35 4.846,36 6.93,37 4.799,38 5.785,39 5.979,40 4.827,41 4.841,42 7.018,43 4.8,44 5.781,45 5.967,46 4.692,47 4.836,48 7.025,49 4.747,50 5.839,51 6.11,52 4.43,53 4.698,54 6.866,55 4.559,56 0.085,57 1.097,58 19.204,59 8.083,60 19.704,61 10.78,62 0.677,63 1.815,64 38.058,65 13.401,66 65.286,67 18.587,68 0.689,69 2.442,70 50.91,71 19.563,72 100.836,73 26.48,74 0.908,75 2.95,76 69.566,77 24.234,78 125.265,79 33.933,80 1.698,81 3.033,82 77.811,83 24.339,84 207.787,85 34.1,86 2.061,87 3.033,88 79.72,89 23.34,90 271.38,91 32.577,92 1.864,93 3.034,94 78.269,95 24.776,96 282.404,97 34.42,98 2.046,99 2.841,100 85.362,101 23.655,102 266.504,103 35.391,104 167,105 65,106 0.229,107 0.528,108 0.802,109 0.871,110 0.871,111 0.871,112 3.694,113 0.973,114 -2.12,115 -2.16,116 -2.14,119 35.8,120 3,121 4,122 1,123 2,124 4,125 3,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 11,180 3,183 15,186 1,187 12,190 1,192 7,195 15,198 3,199 16,204 4,207 12,211 3,212 18,215 4,217 3,220 12,223 4,224 13,227 3,229 4,232 11,236 6,237 14,240 1,241 1,242 4,245 7,249 3,250 9,253 2,255 2,258 1,262 2,263 10,266 2,271 2,275 2952,276 25.011,277 25.011,278 25.011,279 25.011,280 25.011,281 23.969,282 33.939,283 14.185,284 25.623,285 20.597,286 20.597,287 20.597,288 20.597,289 20.597,290 18.685,291 43.557,292 6.572,293 21.461,294 4.856,295 2.909,296 1.13,297 0.683,298 0.683,299 0.683,300 4.373,305 1,306 943,307 5.244,310 69.724,311 212.303,314 116.25,315 235.156,318 1.758,319 71.99,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.83,330 87,331 451,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.616,342 3.78,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.167,351 3.65,352 6.696,353 3.83,354 2.847,355 3.404,356 1.148,357 10.485,358 2.803,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.001,367 2.777,368 3.721,369 3.461,370 5.941,371 3.439,372 2.494,373 2.897,374 0.8,375 8.029,376 2.347,377 3.565,378 2.893,379 5.762,380 3.238,381 2.303,382 2.73,383 0.8,384 7.319,385 2.149,386 3.382,387 2.763,388 5.361,389 3.175,390 2.214,391 2.43,392 0.525,393 6.123,394 2.108,395 3.226,396 2.594,397 5.103,398 3.064,399 2.147,400 2.238,402 5.751,403 1.966,404 3.129,405 2.522,406 4.995,407 2.957,408 1.984,409 2.137,411 5.124,412 1.908,413 2.911,414 2.372,415 4.641,416 2.762,417 1.783,418 1.904,420 4.939,421 1.727,422 2.656,423 2.089,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.488,431 1.841,432 4.282,433 2.271,434 1.316,435 1.423,436 3.488,437 1.244,438 2.433,439 1.719,440 4.115,441 2.104,442 1.147,443 1.306,445 2.785,446 1.089,447 2.116,448 1.607,449 3.822,450 1.922,451 0.996,452 1.017,454 2.091,455 0.912,456 1.967,457 1.246,458 3.749,459 1.623,460 0.661,461 0.806,463 1.537,464 0.62,465 17.967,466 0.461,467 1.492,468 0.038,469 34.25,470 0.878,471 9,472 0.231,473 25.25,474 0.647,475 58.724,476 1.506,477 46.833,478 0.578,479 36.465,480 0.935,481 6.467,482 0.166,483 11.798,484 0.303,485 0.288,486 0.056,487 0.378,493 0.802,494 1.533,495 0.878,496 1.361,497 0.703,498 1.167,499 0.891,500 0.86,501 0.818,502 0.827,503 0.559,504 0.791,505 0.869,506 1.23,507 0.992,508 1.234,509 0.769,510 1.153,511 0.883,512 1.075,513 0.872,514 1.098,515 0.894,516 1.001,517 1.101,518 1.112,519 0.927,520 1.071,521 1.069,522 0.981,523 1.383,524 0.963,525 1.104,526 0.961,527 1.456,528 0.965,529 1.229,530 1.294,531 1.29,532 1.334,533 1.396,534 1.334,535 1.149,536 0.868,537 1.016,538 0.866,539 1.211,540 0.911,541 11,542 0.263,543 6.667,544 5.229,545 5.146,546 3.504,547 2.331,548 1.313,549 0.84,550 0.508,551 17893,552 45757,553 1.937,554 51.9,555 9,556 21,557 1,559 2,560 3,561 4,562 2,564 1.805,565 1.721,566 3.351,567 0.162,573 120.169,574 1.484,575 3.431,576 5.21,577 5.657,578 5.657,579 5.657,580 2.92,581 4.824,582 5.245,583 3.587,584 2657.77,585 9.324,586 40672.1,591 513.528,592 1.789,593 5.147,594 0.262,595 0.008,596 0.103,597 0.066,598 0.058,599 0.037,600 0.025,601 0.018,602 0.015,603 0.011,604 0.602,605 0.33,606 0.75,607 1.77,608 209.936,609 -0.048,610 -0.18,611 0.046,612 -0.072,613 -0.063,614 -0.006,615 0.002,616 0.334,617 0.151,618 0.28,619 0.076,620 0.263,621 -0.008,622 -0.045,623 -0.044,624 -0.059,625 0.01,626 -0.058,627 -0.002,628 -0.014,629 0.089,630 -0.027,631 -0.039,632 0.04,633 0.076,634 -0.09,635 0.091,636 -0.041,637 0.037,638 0.018,639 -0.047,640 0.072,641 -0.051,642 0.034,643 -0.025,645 -0.011,646 -0.248,647 -0.271,648 -0.287,649 -0.019,650 -0.332,651 -0.037,652 0.006,653 -0.001,654 0.037,655 -0.054,656 0.025,657 2.456,658 7.011,659 0.436,660 43.515,661 1.006,662 1.136,663 0.886,664 0.785,665 0.616,666 3.761,667 4.19,668 4.543,669 4.934,670 5.298,671 5.576,672 5.796,673 6.006,674 6.146,675 6.223,676 6.671,677 0.584,678 546.73,679 3.761,680 5.371,681 6.275,682 7.233,683 8.181,684 9.156,685 10.123,686 11.107,687 12.083,688 13.072,689 2.5,692 2,731 81,733 6,735 42,737 84,738 29,742 8,746 4,747 10,752 3,753 2,754 2,755 6,756 1,758 7,761 9,762 20,763 1,766 6,771 3,773 1,775 8,781 42,782 10,783 2,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 1,844 7,848 39,853 2,854 7,856 3,858 4,859 2,860 2,870 9.9,871 1,872 1,873 3,874 1,875 2,877 22.667,878 16.467,879 8.431,880 4.844,881 1.186,882 1.136,883 0.873,884 8.519,885 9.923,886 3.892,887 4.419,888 4.927,889 5.442,890 5.958,891 6.335,892 6.659,893 6.962,894 7.199,895 7.34,896 0.875,897 79,898 14.866,900 6.777,901 7.94,902 27.79,904 23.841,905 2.44,906 95.167,910 470.844,911 122.796,912 6.249,914 193.801,917 122.796,918 664.645,919 6.249,920 62.548,921 27.989,922 42.683,923 148.634,924 40.991,925 11.771,926 459.073,928 470.844,929 129.044,930 193.801,933 400.217,934 210.745,935 53.683,937 51.666,938 77.378,941 470.844,942 200.05,943 122.796,946 470.844,947 51.2,948 77.844,950 193.801,951 470.844,952 200.05,953 122.796,955 0.599,956 0.354,957 0.201,958 0.126,959 32,960 18,961 0.107,962 9,963 3,964 1.353,965 4.194,966 434.55,967 0.353,968 17,969 204.131,974 29.945,975 11.096,976 5.017,978 200.05,986 85.367,987 793.689,988 48,993 39.689,995 1.622,997 -1.13,999 81.494,1000 91.976,1001 0.234,1002 0.541,1003 0.822,1004 0.892,1005 0.892,1006 0.892,1007 5.252,1008 2.147,1009 6.361,1010 6.123,1011 4.875,1012 5.106,1013 3.138,1014 7.372,1015 4.812,1016 6.489,1017 1.984,1018 8.059,1019 5.751,1020 4.89,1021 5.198,1022 2.321,1023 8.897,1024 4.834,1025 7.86,1026 1.783,1027 9.878,1028 5.124,1029 6.703,1030 7.195,1031 4.242,1032 12.106,1033 6.618,1034 9.267,1035 1.617,1036 11.772,1037 4.939,1038 7.513,1039 8.068,1040 4.278,1041 14.466,1042 7.444,1043 10.714,1044 1.316,1045 13.718,1046 4.604,1047 8.935,1048 9.669,1049 5.713,1050 17.332,1051 8.85,1052 12.189,1053 1.147,1054 15.7,1055 3.488,1056 10.063,1057 10.868,1058 6.177,1059 19.97,1060 9.987,1061 13.687,1062 0.996,1063 17.709,1064 2.785,1065 11.391,1066 12.355,1067 7.348,1068 22.756,1069 11.306,1070 3.849,1071 0.661,1072 19.738,1073 2.091,1074 12.639,1075 13.696,1076 8.027,1077 25.483,1078 12.555,1079 3.575,1080 16.383,1081 21.781,1082 1.537,1083 13.952,1084 15.154,1085 9.063,1086 28.255,1087 13.861,1088 2.847,1089 14.589,1090 23.837,1091 4.407,1092 15.246,1093 16.561,1094 9.85,1095 31.012,1096 15.151,1097 2.789,1098 10.485,1099 25.901,1100 3.784,1101 16.562,1102 18.017,1103 10.818,1104 33.784,1105 16.46,1106 2.494,1107 10.001,1108 27.972,1109 3.404,1110 17.876,1111 19.456,1112 11.661,1113 36.554,1114 17.767,1115 2.303,1116 8.029,1117 30.049,1118 3.184,1119 19.197,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.214,1125 7.319,1126 32.13,1127 2.897,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 17995,1134 28917,1135 25.778,1136 49.875,1137 66.116,1138 68.532,1139 71.368,1140 64.747,1141 64.709,1142 72.156,1143 16.524,1144 209.518,1145 62.338,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.17,1152 4.234,1153 25.386,1154 5.82,1155 28.625,1156 1.574,1157 1.632,1158 1.699,1159 1.542,1160 1.541,1161 1.718,1162 0.393,1163 4.989,1164 1.484,1165 4.129,1166 4.145,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.885,1172 3.915,1173 3.813,1174 3.776,1175 7.431,1176 3.78,1177 3.745,1178 3.817,1179 3.613,1180 3.564,1181 7.427,1182 3.565,1183 3.592,1184 3.644,1185 3.501,1186 3.397,1187 6.46,1188 3.41,1189 3.539,1190 3.583,1191 3.448,1192 3.303,1193 6.448,1194 3.323,1195 3.513,1196 3.53,1197 3.41,1198 3.287,1199 4.714,1200 3.317,1201 3.36,1202 3.41,1203 3.227,1204 3.162,1205 4.557,1206 3.162,1207 3.306,1208 3.36,1209 3.156,1210 3.117,1211 4.448,1212 3.11,1213 0.12,1214 0.101,1215 0.197,1216 0.115,1217 0.092,1218 5.02,1219 0.105,1220 4.232,1221 0.058,1222 8.266,1223 0.39,1224 4.842,1225 0.091,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.781,1238 1.749,1239 1.967,1240 1.957,1241 1.274,1242 1.964,1243 1.697,1244 1.629,1245 1.908,1246 1.895,1247 1.24,1248 1.899,1249 1.587,1250 1.536,1251 1.83,1252 1.776,1253 1.186,1254 1.792,1255 1.504,1256 1.437,1257 1.767,1258 1.753,1259 0.897,1260 1.763,1261 1.431,1262 1.395,1263 1.696,1264 1.704,1265 0.811,1266 1.692,1267 1.385,1268 1.343,1269 1.654,1270 1.648,1271 0.765,1272 1.649,1273 1.291,1274 1.232,1275 1.587,1276 1.505,1277 0.697,1278 1.529,1279 4.443,1281 5.844,1282 2.398,1283 7.452,1284 4.844,1285 9.183,1286 7.034,1287 10.993,1289 12.32,1294 22.498,1295 3.688,1297 17.242,1299 -2.758,1300 3.914,1301 -1.918,1305 47.297,1306 120.169,1307 277.887,1308 421.979,1309 458.244,1310 458.244,1311 458.244,1312 158.788,1313 8.737,1314 125.84,1315 125.84,1316 23,1317 13.54,1318 2.807,1319 2.807,1320 69.668,1321 148,1322 219,1323 0.231,1324 287.369,1325 537.3,1326 692.94,1327 71935,1329 28.861,1330 0.74,1331 0.617,1332 28.861,1333 24.075,1334 18.266,1335 0.435,1336 0.324,1337 13.365,1338 17.293,1339 12.791,1340 10.597,1341 18.266,1342 13.622,1343 17.926,1344 0.276,1345 0.186,1346 17.926,1347 12.066,1348 14.704,1349 0.158,1350 0.098,1351 14.704,1352 9.122,1353 12.854,1354 0.093,1355 0.052,1356 12.854,1357 7.194,1358 11.18,1359 0.056,1360 0.026,1361 11.18,1362 5.202,1363 0.346,1364 116.8,1365 0.197,1366 33.773,1367 0.693,1368 214,1369 650.003,1370 238.753,1371 599.134,1372 789.97,1373 556,1374 265,1375 550.188,1376 290.314,1377 556.2,1378 827.85,1379 515,1380 7.194}
{0 CHEMBL410644,1 1.473,2 11.389,3 0.198,4 0.039,5 137.09,6 6.641,8 4.413,9 4.529,10 3.859,11 3.86,12 5.45,13 3.835,14 5.034,15 5.223,16 4.297,17 4.343,18 5.994,19 4.303,20 5.356,21 5.529,22 4.553,23 4.653,24 6.403,25 4.585,26 5.655,27 5.88,28 4.665,29 4.777,30 6.648,31 4.696,32 5.711,33 5.918,34 4.734,35 4.742,36 6.938,37 4.686,38 5.685,39 5.898,40 4.593,41 4.664,42 6.931,43 4.602,44 5.572,45 5.782,46 4.379,47 4.608,48 6.697,49 4.495,50 5.59,51 5.865,52 4.187,53 4.484,54 6.53,55 4.34,56 0.083,57 1.037,58 18.43,59 7.6,60 21.6,61 10.248,62 0.524,63 1.737,64 35.792,65 12.782,66 51.529,67 17.838,68 0.524,69 2.36,70 48.726,71 18.986,72 86.851,73 26.028,74 0.818,75 2.806,76 67.533,77 23.126,78 118.689,79 32.741,80 1.564,81 2.773,82 73.449,83 22.274,84 233.744,85 31.701,86 2.038,87 2.606,88 73.168,89 19.996,90 290.75,91 28.708,92 1.343,93 2.437,94 63.597,95 19.949,96 197.287,97 28.399,98 1.343,99 2.266,100 65.443,101 18.725,102 169.566,103 28.156,104 134,105 61,106 0.23,107 0.534,108 0.795,109 0.873,110 0.873,111 0.873,112 3.617,113 0.98,114 -1.72,115 -1.79,116 -1.81,119 35.5,120 2,121 4,122 1,123 2,124 4,125 3,127 3,136 4,137 1,138 1,156 1,158 1,172 11,174 1,175 7,180 5,183 15,186 1,187 9,190 1,192 10,195 15,198 3,199 10,204 8,207 10,211 1,212 12,215 5,216 1,217 6,220 9,223 3,224 9,227 3,228 1,229 4,232 7,236 2,237 9,240 2,241 1,242 3,245 4,249 2,250 8,253 1,255 1,258 1,263 7,266 2,268 1,271 2,275 2350,276 23.15,277 23.15,278 23.15,279 23.15,280 23.15,281 22.315,282 32.483,283 12.998,284 23.702,285 19.087,286 19.087,287 19.087,288 19.087,289 19.087,290 17.479,291 42.675,292 5.972,293 19.872,294 4.775,295 2.837,296 1.168,297 0.665,298 0.665,299 0.665,300 4.296,305 1,306 864,307 4.848,310 64.344,311 192.841,314 105.592,315 213.654,318 1.71,319 65.872,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 80,331 410,332 5.018,333 4.226,334 8.264,335 4.839,336 3.847,337 4.406,338 1.674,339 16.363,340 3.818,341 4.615,342 3.77,343 7.865,344 4.566,345 3.575,346 3.78,347 1.141,348 14.585,349 3.543,350 4.162,351 3.561,352 6.682,353 3.821,354 2.834,355 3.404,356 0.86,357 10.413,358 2.801,359 4.012,360 3.472,361 6.586,362 3.786,363 2.788,364 3.178,365 0.8,366 9.993,367 2.773,368 3.681,369 2.895,370 5.883,371 3.344,372 2.396,373 2.879,374 0.8,375 7.702,376 2.276,377 3.39,378 2.762,379 5.726,380 3.204,381 2.258,382 2.438,383 0.456,384 7.064,385 2.121,386 3.25,387 2.593,388 5.339,389 3.121,390 2.175,391 2.257,393 5.998,394 2.046,395 3.153,396 2.522,397 5.023,398 3.04,399 2.117,400 2.158,402 5.639,403 1.942,404 2.926,405 2.35,406 4.951,407 2.787,408 1.83,409 1.921,411 5.123,412 1.739,413 2.656,414 2.083,415 4.641,416 2.58,417 1.621,418 1.648,420 4.668,421 1.546,422 2.487,423 1.841,424 4.336,425 2.275,426 1.323,427 1.424,428 3.5,429 1.247,430 2.431,431 1.715,432 4.116,433 2.104,434 1.148,435 1.306,436 2.783,437 1.089,438 2.104,439 1.595,440 3.81,441 1.921,442 0.996,443 1.015,445 2.089,446 0.912,447 1.967,448 1.177,449 3.748,450 1.62,451 0.659,452 0.802,454 1.515,455 0.617,456 1.821,457 1.101,458 3.204,459 1.506,460 0.518,461 0.641,463 1.191,464 0.506,465 16.633,466 0.462,467 1.386,468 0.039,469 30.75,470 0.854,471 7.5,472 0.208,473 23.25,474 0.646,475 52.995,476 1.472,477 43.367,478 0.571,479 31.27,480 0.869,481 5.671,482 0.158,483 11.201,484 0.311,485 0.281,486 0.06,487 0.379,493 0.857,494 1.5,495 0.912,496 1.319,497 0.795,498 1.153,499 0.932,500 0.856,501 0.849,502 0.824,503 0.628,504 0.801,505 0.756,506 1.277,507 0.957,508 1.284,509 0.732,510 1.179,511 0.903,512 1.073,513 0.877,514 1.098,515 0.963,516 1,517 1.146,518 1.156,519 0.967,520 1.116,521 1.237,522 1.025,523 1.507,524 0.893,525 1.177,526 0.894,527 1.627,528 0.953,529 1.218,530 1.211,531 1.264,532 1.245,533 1.238,534 1.268,535 1.112,536 0.877,537 0.996,538 0.873,539 1.132,540 0.91,541 10,542 0.246,543 6.667,544 5.104,545 4.946,546 3.024,547 1.756,548 0.929,549 0.676,550 0.448,551 14956,552 36159,553 1.947,554 52.6,555 9,556 21,557 1,559 3,561 4,562 2,564 1.783,565 1.728,566 3.359,567 0.801,573 111.932,574 1.473,575 3.411,576 5.08,577 5.583,578 5.583,579 5.583,580 2.916,581 4.892,582 5.129,583 3.569,584 2248.39,585 9.079,586 32564.9,591 474.842,592 1.798,593 5.031,594 0.256,595 0.008,596 0.109,597 0.068,598 0.061,599 0.037,600 0.025,601 0.017,602 0.015,603 0.011,604 0.609,605 0.33,606 0.88,607 1.704,608 189.622,609 -0.067,610 -0.14,611 0.036,612 -0.026,613 -0.089,614 0.017,615 -0.056,616 0.358,617 0.125,618 0.298,619 0.026,620 0.266,621 0.043,622 -0.08,623 -0.012,624 -0.093,625 0.041,626 -0.066,627 0.006,628 -0.025,629 0.092,630 -0.037,631 -0.033,632 0.034,633 0.099,634 -0.152,635 0.065,636 -0.102,637 0.087,638 -0.037,639 -0.056,640 0.092,641 -0.101,642 0.05,643 -0.025,644 -0.02,645 -0.052,646 -0.189,647 -0.25,648 -0.219,649 -0.056,650 -0.272,651 -0.054,652 0.016,653 0.004,654 0.042,655 -0.086,656 0.033,657 2.415,658 6.755,659 0.472,660 38.491,661 1.004,662 1.136,663 0.494,664 0.244,665 0.614,666 3.689,667 4.127,668 4.5,669 4.883,670 5.226,671 5.464,672 5.666,673 5.875,674 6.019,675 6.094,676 6.498,677 0.58,678 504.69,679 3.689,680 5.303,681 6.217,682 7.179,683 8.13,684 9.105,685 10.073,686 11.055,687 12.031,688 13.017,689 2.6,692 2,731 76,733 5,735 39,737 79,738 27,742 8,746 4,747 10,752 2,753 2,754 2,755 6,756 1,758 7,761 8,762 19,763 1,766 5,771 2,773 1,775 7,781 40,782 9,783 3,784 9,790 2,794 0.25,795 7,797 2,811 1,812 3,815 1,816 2,824 1,829 1,831 1,832 4,836 2,838 3,839 1,840 1,844 6,848 36,853 3,854 7,856 2,858 4,859 2,860 2,870 9.2,871 2,872 1,873 2,874 1,875 1,877 20.833,878 15.083,879 7.764,880 4.522,881 1.145,882 1.134,883 0.859,884 7.502,885 9.702,886 3.807,887 4.344,888 4.89,889 5.398,890 5.9,891 6.244,892 6.544,893 6.842,894 7.076,895 7.2,896 0.875,897 75,898 13.744,900 6.337,901 7.917,902 25.804,904 22.477,905 2.417,906 87,910 435.531,911 106.779,912 6.249,914 200.34,917 106.779,918 635.87,919 6.249,920 53.723,921 27.989,922 85.367,923 116.298,924 29.991,925 11.771,926 423.76,928 435.531,929 113.028,930 200.34,933 364.904,934 174.6,935 96.367,937 42.841,938 70.187,941 435.531,942 206.588,943 106.779,946 435.531,947 44.009,948 69.019,950 200.34,951 435.531,952 206.588,953 106.779,955 0.603,956 0.368,957 0.208,958 0.125,959 31,960 17,961 0.089,962 7,963 3,964 1.353,965 4.043,966 387.946,967 0.353,968 17,969 184.117,974 27.337,975 9.879,976 4.284,978 206.588,986 128.05,987 748.898,988 44,993 26.97,995 1.627,997 -0.569,999 76.283,1000 86.351,1001 0.236,1002 0.546,1003 0.813,1004 0.894,1005 0.894,1006 0.894,1007 5.176,1008 2.117,1009 6.308,1010 5.998,1011 4.812,1012 5.03,1013 2.567,1014 7.331,1015 4.752,1016 6.417,1017 1.83,1018 8.015,1019 5.639,1020 4.844,1021 5.13,1022 0.57,1023 8.877,1024 4.787,1025 7.794,1026 1.621,1027 9.843,1028 5.123,1029 6.658,1030 7.14,1031 3.101,1032 12.087,1033 6.581,1034 9.208,1035 1.323,1036 11.746,1037 4.668,1038 7.485,1039 8.026,1040 0.479,1041 14.455,1042 7.42,1043 10.664,1044 1.148,1045 13.698,1046 3.5,1047 8.908,1048 9.636,1049 3.929,1050 17.321,1051 8.832,1052 12.147,1053 0.996,1054 15.684,1055 2.783,1056 10.046,1057 10.845,1058 0.346,1059 19.961,1060 9.976,1061 13.652,1062 0.659,1063 17.696,1064 2.089,1065 11.374,1066 12.337,1067 4.877,1068 22.747,1069 11.297,1070 3.847,1071 0.518,1072 19.728,1073 1.515,1074 12.627,1075 13.683,1076 0.237,1077 25.473,1078 12.549,1079 3.575,1080 16.363,1081 21.773,1082 1.191,1083 13.94,1084 15.143,1085 5.874,1086 28.244,1087 13.855,1088 2.834,1089 14.585,1090 23.83,1091 4.406,1092 15.236,1093 16.552,1094 0.158,1095 31,1096 15.146,1097 2.788,1098 10.413,1099 25.895,1100 3.78,1101 16.552,1102 18.009,1103 6.89,1104 33.772,1105 16.455,1106 2.396,1107 9.993,1108 27.967,1109 3.404,1110 17.866,1111 19.449,1112 0.104,1113 36.541,1114 17.763,1115 2.258,1116 7.702,1117 30.044,1118 3.178,1119 19.188,1120 20.909,1121 7.915,1122 39.315,1123 19.077,1124 2.175,1125 7.064,1126 32.125,1127 2.879,1128 20.51,1129 22.365,1130 0.068,1131 42.091,1132 20.393,1133 14951,1134 23371,1135 23.986,1136 46.659,1137 61.709,1138 63.588,1139 66.649,1140 60.415,1141 60.343,1142 66.7,1143 11.462,1144 197.747,1145 58.117,1146 6.018,1147 6.174,1148 8.025,1149 5.931,1150 5.847,1151 7.168,1152 3.349,1153 25.358,1154 5.818,1155 25.914,1156 1.582,1157 1.63,1158 1.709,1159 1.549,1160 1.547,1161 1.71,1162 0.294,1163 5.07,1164 1.49,1165 4.125,1166 4.143,1167 4.079,1168 4.05,1169 7.434,1170 4.053,1171 3.884,1172 3.915,1173 3.811,1174 3.776,1175 7.427,1176 3.779,1177 3.745,1178 3.817,1179 3.613,1180 3.564,1181 6.462,1182 3.565,1183 3.566,1184 3.639,1185 3.468,1186 3.385,1187 6.452,1188 3.394,1189 3.519,1190 3.54,1191 3.416,1192 3.293,1193 6.444,1194 3.317,1195 3.412,1196 3.463,1197 3.278,1198 3.219,1199 4.701,1200 3.221,1201 3.33,1202 3.369,1203 3.199,1204 3.124,1205 4.503,1206 3.123,1207 3.228,1208 3.297,1209 3.036,1210 2.991,1211 4.36,1212 2.992,1213 0.129,1214 0.108,1215 0.212,1216 0.124,1217 0.099,1218 5.018,1219 0.113,1220 4.226,1221 0.043,1222 8.264,1223 0.42,1224 4.839,1225 0.098,1226 3.847,1227 4.406,1228 1.674,1229 16.363,1230 3.818,1231 2.031,1232 2.02,1233 2.116,1234 2.125,1235 1.515,1236 2.12,1237 1.78,1238 1.747,1239 1.967,1240 1.956,1241 1.274,1242 1.964,1243 1.697,1244 1.629,1245 1.907,1246 1.892,1247 1.24,1248 1.897,1249 1.587,1250 1.536,1251 1.83,1252 1.776,1253 1.186,1254 1.792,1255 1.503,1256 1.435,1257 1.767,1258 1.753,1259 0.897,1260 1.763,1261 1.385,1262 1.343,1263 1.654,1264 1.648,1265 0.806,1266 1.649,1267 1.299,1268 1.241,1269 1.588,1270 1.515,1271 0.74,1272 1.535,1273 1.201,1274 1.159,1275 1.509,1276 1.474,1277 0.681,1278 1.465,1279 4.369,1281 5.778,1282 2.398,1283 7.398,1284 4.844,1285 9.14,1286 7.034,1287 10.958,1289 11.023,1294 33.627,1295 3.799,1297 11.267,1299 -2.835,1300 3.927,1301 -1.836,1305 44.056,1306 111.932,1307 259.215,1308 386.049,1309 424.313,1310 424.313,1311 424.313,1312 141.48,1313 8.557,1314 119.77,1315 119.77,1316 23,1317 13.486,1318 2.585,1319 2.585,1320 61.657,1321 134,1322 192,1323 0.228,1324 267.115,1325 496.55,1326 643.522,1327 58317,1329 26.577,1330 0.738,1331 0.617,1332 26.577,1333 22.206,1334 16.872,1335 0.433,1336 0.327,1337 12.506,1338 16.039,1339 11.991,1340 9.922,1341 16.872,1342 12.736,1343 16.513,1344 0.271,1345 0.188,1346 16.513,1347 11.483,1348 14.095,1349 0.158,1350 0.099,1351 14.095,1352 8.833,1353 12.317,1354 0.094,1355 0.053,1356 12.317,1357 6.928,1358 10.569,1359 0.057,1360 0.026,1361 10.569,1362 4.901,1363 0.343,1364 107.621,1365 0.204,1366 31.771,1367 0.678,1368 200,1369 570.681,1370 220.325,1371 530.511,1372 701.33,1373 492,1374 250,1375 487.461,1376 272.324,1377 497.427,1378 743.81,1379 460,1380 6.195}
{0 CHEMBL411907,1 1.472,2 10,3 1.57,4 2.465,5 140.861,6 7.201,8 4.374,9 4.474,10 3.894,11 3.871,12 5.497,13 3.856,14 4.972,15 5.131,16 4.333,17 4.32,18 6.05,19 4.295,20 5.289,21 5.44,22 4.584,23 4.608,24 6.423,25 4.571,26 5.544,27 5.723,28 4.731,29 4.765,30 6.634,31 4.72,32 5.681,33 5.855,34 4.848,35 4.814,36 6.916,37 4.783,38 5.723,39 5.901,40 4.836,41 4.82,42 7.025,43 4.788,44 5.726,45 5.906,46 4.722,47 4.798,48 7.055,49 4.731,50 5.733,51 5.978,52 4.423,53 4.651,54 6.882,55 4.537,56 0.088,57 0.965,58 15.634,59 7.495,60 22.941,61 9.301,62 0.585,63 1.618,64 31.551,65 12.481,66 70.681,67 16.142,68 0.725,69 2.186,70 43.197,71 17.4,72 118.178,73 22.232,74 0.866,75 2.69,76 57.631,77 21.668,78 145.766,79 28.235,80 1.697,81 2.905,82 68.429,83 23.513,84 230.237,85 30.347,86 1.98,87 2.976,88 72.625,89 23.644,90 296.004,91 30.454,92 1.915,93 2.98,94 72.366,95 24.206,96 321.504,97 31.565,98 1.964,99 2.811,100 77.552,101 23.196,102 304.866,103 32.077,104 156,105 63,106 0.23,107 0.602,108 0.835,109 0.857,110 0.857,111 0.857,112 3.669,113 0.934,114 -2.61,115 -2.63,116 -2.57,119 39.7,120 3,121 3,122 1,123 2,124 1,125 3,127 2,134 2,135 2,136 4,137 1,138 1,156 2,158 2,172 13,174 2,175 13,180 1,183 15,186 1,187 18,190 1,192 3,195 15,198 2,199 17,204 3,207 14,211 4,212 19,215 3,217 2,220 17,223 5,224 15,227 2,229 3,232 15,236 7,237 20,240 1,242 2,245 11,249 2,250 10,253 1,255 3,258 6,262 3,263 12,271 6,275 2612,276 24.89,277 24.89,278 24.89,279 24.89,280 24.89,281 23.472,282 35.542,283 14.303,284 25.33,285 20.045,286 20.045,287 20.045,288 20.045,289 20.045,290 17.483,291 45.93,292 6.438,293 20.64,294 4.718,295 2.329,296 0.836,297 0.699,298 0.699,299 0.699,300 4.35,305 1,306 791,307 5.05,310 66.298,311 201.431,314 110.349,315 223.158,318 1.526,319 76.418,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.83,330 84.5,331 380,332 5.022,333 4.258,334 8.266,335 4.843,336 3.849,337 4.409,338 2.455,339 16.383,340 3.827,341 4.654,342 4.071,343 7.865,344 4.578,345 3.575,346 3.84,347 2.178,348 14.589,349 3.583,350 4.186,351 3.683,352 6.696,353 3.839,354 2.854,355 3.5,356 1.674,357 10.489,358 2.82,359 4.019,360 3.627,361 6.588,362 3.791,363 2.789,364 3.184,365 1.148,366 10.006,367 2.779,368 3.745,369 3.483,370 5.947,371 3.46,372 2.517,373 2.94,374 0.995,375 8.076,376 2.367,377 3.57,378 3.057,379 5.765,380 3.278,381 2.335,382 2.732,383 0.86,384 7.351,385 2.186,386 3.462,387 2.905,388 5.361,389 3.178,390 2.209,391 2.524,392 0.525,393 6.705,394 2.121,395 3.2,396 2.654,397 5.285,398 2.973,399 1.997,400 2.227,401 0.359,402 5.898,403 1.93,404 2.956,405 2.586,406 5.085,407 2.767,408 1.785,409 1.944,411 4.939,412 1.733,413 2.933,414 2.304,415 4.624,416 2.663,417 1.617,418 1.925,420 4.605,421 1.681,422 2.732,423 2.008,424 4.282,425 2.274,426 1.318,427 1.618,428 3.488,429 1.248,430 2.626,431 1.751,432 4.123,433 2.237,434 1.247,435 1.492,436 2.79,437 1.233,438 2.448,439 1.702,440 3.825,441 2.1,442 1.141,443 1.374,445 2.117,446 1.082,447 2.277,448 1.666,449 3.77,450 1.842,451 0.901,452 1.081,454 1.735,455 0.838,456 2.126,457 1.338,458 3.253,459 1.588,460 0.616,461 0.806,463 1.261,464 0.585,465 17.567,466 0.462,467 1.31,468 0.034,469 36.5,470 0.961,471 12.5,472 0.329,473 24,474 0.632,475 52.243,476 1.375,477 43.633,478 0.598,479 40.079,480 1.055,481 7.244,482 0.191,483 10.704,484 0.282,485 0.266,486 0.057,487 0.364,493 0.724,494 1.343,495 0.801,496 1.242,497 0.642,498 1.071,499 0.811,500 0.948,501 0.773,502 0.896,503 0.549,504 0.829,505 0.902,506 1.146,507 0.928,508 1.11,509 0.815,510 1.037,511 0.979,512 1.116,513 0.929,514 1.11,515 0.995,516 1.023,517 1.125,518 1.093,519 0.972,520 1.068,521 1.059,522 1.001,523 1.289,524 0.999,525 1.063,526 0.987,527 1.302,528 0.974,529 1.188,530 1.179,531 1.202,532 1.201,533 1.212,534 1.206,535 1.238,536 0.901,537 1.113,538 0.897,539 1.24,540 0.965,541 10,542 0.247,543 6.444,544 5.104,545 5.146,546 3.448,547 2.473,548 1.434,549 0.782,550 0.408,551 15838,552 45695,553 1.95,554 47.9,555 9,556 17,557 1,559 1,560 5,561 2,564 1.802,565 1.74,566 3.226,567 -0.374,573 107.451,574 1.472,575 3.861,576 5.354,577 5.491,578 5.491,579 5.491,580 2.739,581 4.88,582 5.214,583 3.414,584 2400.39,585 9.273,586 35894.8,591 451.857,592 1.796,593 5.116,594 0.244,595 0.009,596 0.102,597 0.065,598 0.058,599 0.036,600 0.026,601 0.018,602 0.014,603 0.01,604 0.581,605 0.33,606 0.88,607 1.616,608 201.146,609 -0.034,610 -0.109,611 0.044,612 -0.05,613 -0.056,614 0.003,615 0.039,616 0.187,617 0.146,618 0.186,619 0.061,620 0.194,621 -0.013,622 -0.031,623 -0.008,624 -0.017,625 -0.009,626 -0.012,627 -0.051,628 -0.052,629 0.019,630 -0.063,631 -0.083,632 -0.015,633 0.051,634 -0.078,635 0.027,636 -0.059,637 -0.007,638 -0.028,639 -0.022,640 0.008,641 -0.041,642 -0.004,643 -0.021,644 -0.023,645 0.002,646 -0.175,647 -0.197,648 -0.208,649 0.029,650 -0.244,651 -0.101,652 0.009,653 -0.075,654 0.023,655 -0.072,656 -0.013,657 2.524,658 6.959,659 0.447,660 37.762,661 1.01,662 1.126,663 1.384,664 1.915,665 0.638,666 3.738,667 4.159,668 4.543,669 4.942,670 5.303,671 5.583,672 5.814,673 6.021,674 6.159,675 6.238,676 6.142,677 0.612,678 525.65,679 3.738,680 5.342,681 6.256,682 7.217,683 8.172,684 9.15,685 10.121,686 11.107,687 12.086,688 13.075,689 1.4,692 1,731 73,733 9,735 41,737 76,738 29,742 8,746 4,747 10,752 3,753 2,754 2,755 5,756 1,758 5,761 14,762 15,763 1,766 9,767 2,771 4,773 3,775 9,781 35,782 9,783 1,784 9,790 1,794 0.25,795 8,811 1,812 3,815 1,816 2,824 2,829 2,830 2,831 3,832 4,836 1,838 1,839 1,840 1,844 4,848 38,853 1,854 6,856 3,858 3,859 1,860 2,870 11,872 1,873 4,874 1,875 2,877 21.833,878 14.317,879 8.431,880 4.324,881 1.355,882 1.156,883 0.897,884 7.729,885 10.046,886 3.932,887 4.443,888 4.97,889 5.485,890 6.004,891 6.4,892 6.751,893 7.051,894 7.305,895 7.478,896 0.857,897 79,898 14.472,900 6.673,901 8.053,902 26.593,904 22.762,905 2.553,906 97,910 400.217,911 150.692,912 3.124,914 176.263,917 150.692,918 576.48,919 3.124,920 37.359,921 56.989,922 18.952,923 178.913,924 37.866,925 11.771,926 388.446,928 400.217,929 153.816,930 176.263,933 376.675,934 188.805,935 11,937 46.007,938 88.856,939 18.952,941 400.217,942 179.387,943 150.692,946 400.217,947 53.799,948 68.483,950 207.797,951 400.217,952 179.387,953 150.692,955 0.589,956 0.363,957 0.216,958 0.133,959 31,960 17,961 0.118,962 9,963 3,964 1.353,965 4.068,966 426.087,967 0.353,968 17,969 193.421,974 28.222,975 10.406,976 4.365,978 179.387,986 42.683,987 730.296,988 50,989 7.503,993 52.59,995 4.834,997 -1.687,999 73.741,1000 82.232,1001 0.238,1002 0.624,1003 0.865,1004 0.887,1005 0.887,1006 0.887,1007 5.273,1008 1.997,1009 6.337,1010 6.705,1011 4.844,1012 5.13,1013 3.423,1014 7.359,1015 4.802,1016 6.51,1017 1.785,1018 8.04,1019 5.898,1020 4.844,1021 5.198,1022 2.801,1023 8.894,1024 4.818,1025 7.88,1026 1.617,1027 9.865,1028 4.939,1029 6.683,1030 7.233,1031 4.583,1032 12.107,1033 6.626,1034 9.287,1035 1.318,1036 11.765,1037 4.605,1038 7.496,1039 8.102,1040 4.732,1041 14.468,1042 7.461,1043 10.736,1044 1.247,1045 13.715,1046 3.488,1047 8.928,1048 9.715,1049 6.044,1050 17.334,1051 8.877,1052 12.213,1053 1.141,1054 15.699,1055 2.79,1056 10.059,1057 10.915,1058 6.548,1059 19.971,1060 10.022,1061 13.714,1062 0.901,1063 17.709,1064 2.117,1065 11.389,1066 12.404,1067 7.643,1068 22.757,1069 11.346,1070 3.849,1071 0.616,1072 19.739,1073 1.735,1074 12.639,1075 13.745,1076 8.326,1077 25.483,1078 12.601,1079 3.575,1080 16.383,1081 21.783,1082 1.261,1083 13.952,1084 15.202,1085 9.314,1086 28.255,1087 13.91,1088 2.854,1089 14.589,1090 23.838,1091 4.409,1092 15.247,1093 16.608,1094 10.091,1095 31.012,1096 15.204,1097 2.789,1098 10.489,1099 25.902,1100 3.84,1101 16.563,1102 18.061,1103 11.026,1104 33.784,1105 16.517,1106 2.517,1107 10.006,1108 27.973,1109 3.5,1110 17.876,1111 19.498,1112 11.854,1113 36.554,1114 17.827,1115 2.335,1116 8.076,1117 30.05,1118 3.184,1119 19.198,1120 20.956,1121 12.764,1122 39.33,1123 19.144,1124 2.209,1125 7.351,1126 32.131,1127 2.94,1128 20.52,1129 22.409,1130 13.619,1131 42.107,1132 20.462,1133 15977,1134 27204,1135 25.372,1136 46.585,1137 64.833,1138 67.483,1139 69.836,1140 62.775,1141 62.748,1142 72.729,1143 20.388,1144 203.688,1145 61.252,1146 6.022,1147 6.193,1148 8.068,1149 5.936,1150 5.849,1151 7.173,1152 4.234,1153 25.386,1154 5.827,1155 26.68,1156 1.581,1157 1.646,1158 1.703,1159 1.531,1160 1.53,1161 1.774,1162 0.497,1163 4.968,1164 1.494,1165 4.129,1166 4.143,1167 4.085,1168 4.051,1169 7.438,1170 4.056,1171 3.888,1172 3.913,1173 3.826,1174 3.778,1175 7.431,1176 3.785,1177 3.725,1178 3.781,1179 3.622,1180 3.579,1181 7.428,1182 3.58,1183 3.576,1184 3.592,1185 3.495,1186 3.362,1187 7.424,1188 3.382,1189 3.514,1190 3.533,1191 3.44,1192 3.351,1193 6.459,1194 3.331,1195 3.464,1196 3.529,1197 3.329,1198 3.29,1199 4.771,1200 3.317,1201 3.421,1202 3.443,1203 3.303,1204 3.256,1205 4.693,1206 3.271,1207 3.31,1208 3.368,1209 3.161,1210 3.136,1211 4.678,1212 3.127,1213 0.122,1214 0.104,1215 0.202,1216 0.118,1217 0.094,1218 5.022,1219 0.108,1220 4.258,1221 0.06,1222 8.266,1223 0.4,1224 4.843,1225 0.093,1226 3.849,1227 4.409,1228 2.455,1229 16.383,1230 3.827,1231 2.032,1232 2.021,1233 2.114,1234 2.126,1235 1.511,1236 2.12,1237 1.783,1238 1.753,1239 1.939,1240 1.94,1241 1.249,1242 1.94,1243 1.678,1244 1.627,1245 1.876,1246 1.855,1247 1.119,1248 1.861,1249 1.57,1250 1.526,1251 1.803,1252 1.752,1253 1.059,1254 1.767,1255 1.494,1256 1.433,1257 1.751,1258 1.703,1259 0.807,1260 1.69,1261 1.435,1262 1.405,1263 1.695,1264 1.659,1265 0.738,1266 1.688,1267 1.409,1268 1.371,1269 1.657,1270 1.65,1271 0.736,1272 1.657,1273 1.326,1274 1.295,1275 1.556,1276 1.52,1277 0.669,1278 1.528,1279 4.419,1281 5.814,1282 2.398,1283 7.43,1284 4.844,1285 9.17,1286 7.034,1287 10.988,1289 6.293,1294 11.517,1295 1.623,1297 17.099,1299 -2.326,1300 1.749,1301 -2.196,1305 44.695,1306 107.451,1307 281.824,1308 390.838,1309 400.838,1310 400.838,1311 400.838,1312 156.756,1313 8.691,1314 119.44,1315 119.44,1316 23,1317 13.542,1318 3.322,1319 3.322,1320 66.623,1321 135,1322 168,1323 0.245,1324 271.792,1325 518.38,1326 654.934,1327 66272,1329 27.991,1330 0.737,1331 0.589,1332 27.991,1333 22.373,1334 17.948,1335 0.438,1336 0.311,1337 12.558,1338 17.103,1339 12.112,1340 9.981,1341 17.948,1342 12.766,1343 16.939,1344 0.269,1345 0.17,1346 16.939,1347 10.74,1348 14.551,1349 0.156,1350 0.091,1351 14.551,1352 8.459,1353 12.978,1354 0.093,1355 0.049,1356 12.978,1357 6.776,1358 11.209,1359 0.056,1360 0.025,1361 11.209,1362 4.94,1363 0.362,1364 114.027,1365 0.199,1366 32.678,1367 0.755,1368 208,1369 661.944,1370 231.671,1371 612.853,1372 808.83,1373 568,1374 260,1375 566.495,1376 283.815,1377 568.761,1378 849.37,1379 531,1380 7.056}
{0 CHEMBL411950,1 1.497,2 9.919,3 0.064,4 0.004,5 132.432,6 7.189,8 4.386,9 4.481,10 3.908,11 3.844,12 5.454,13 3.842,14 5.019,15 5.175,16 4.36,17 4.325,18 6.067,19 4.31,20 5.343,21 5.502,22 4.585,23 4.622,24 6.419,25 4.581,26 5.57,27 5.758,28 4.702,29 4.758,30 6.605,31 4.702,32 5.694,33 5.883,34 4.823,35 4.774,36 6.88,37 4.745,38 5.685,39 5.85,40 4.818,41 4.772,42 6.973,43 4.752,44 5.729,45 5.906,46 4.7,47 4.762,48 7.018,49 4.698,50 5.739,51 5.989,52 4.382,53 4.607,54 6.814,55 4.485,56 0.154,57 0.969,58 16.11,59 7.448,60 23.056,61 9.229,62 0.77,63 1.653,64 33.698,65 12.682,66 74.021,67 16.409,68 0.988,69 2.255,70 46.516,71 18.017,72 115.53,73 23.381,74 1.005,75 2.686,76 59.654,77 22.203,78 132.636,79 29.627,80 1.96,81 2.811,82 70.79,83 22.796,84 222.103,85 30.499,86 2.123,87 2.795,88 69.824,89 22.002,90 276.807,91 28.616,92 2.385,93 2.856,94 73.632,95 23.148,96 316.638,97 30.796,98 2.211,99 2.667,100 78.527,101 22.109,102 277.448,103 31.931,104 90,105 64,106 0.235,107 0.559,108 0.817,109 0.868,110 0.868,111 0.868,112 3.644,113 0.941,114 -1.72,115 -1.79,116 -1.81,119 37.5,120 3,121 3,122 1,123 2,124 1,125 5,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 9,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 11,211 3,212 19,215 4,217 3,220 11,223 4,224 11,227 3,229 4,232 10,236 8,237 14,240 1,241 1,242 3,245 5,249 1,250 9,253 3,255 2,262 3,263 7,266 1,275 2384,276 24.304,277 24.304,278 24.304,279 24.304,280 24.304,281 23.262,282 31.361,283 13.783,284 24.96,285 20.13,286 20.13,287 20.13,288 20.13,289 20.13,290 18.229,291 38.847,292 6.391,293 21.06,294 4.673,295 2.615,296 0.973,297 0.653,298 0.653,299 0.653,300 4.338,305 1,306 791,307 4.359,310 62.035,311 276.742,314 103.28,315 208.727,318 1.497,319 75.08,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 83.5,331 367,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.17,351 3.65,352 6.696,353 3.837,354 2.856,355 3.406,356 1.148,357 10.49,358 2.805,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.006,367 2.779,368 3.731,369 3.461,370 5.947,371 3.464,372 2.529,373 2.904,374 0.86,375 8.078,376 2.361,377 3.567,378 2.918,379 5.766,380 3.303,381 2.362,382 2.73,383 0.8,384 7.353,385 2.199,386 3.461,387 2.867,388 5.362,389 3.175,390 2.21,391 2.509,392 0.525,393 6.745,394 2.114,395 3.198,396 2.608,397 5.298,398 2.975,399 2.001,400 2.22,402 5.903,403 1.93,404 2.934,405 2.374,406 5.086,407 2.769,408 1.788,409 1.927,411 4.939,412 1.734,413 2.66,414 2.178,415 4.624,416 2.578,417 1.617,418 1.65,420 4.605,421 1.544,422 2.618,423 2.076,424 4.282,425 2.351,426 1.478,427 1.565,428 3.488,429 1.282,430 2.447,431 1.841,432 4.126,433 2.258,434 1.302,435 1.396,436 3.21,437 1.231,438 2.274,439 1.714,440 3.838,441 1.989,442 1.087,443 1.189,445 2.589,446 0.967,447 2.107,448 1.58,449 3.797,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 1.256,458 3.518,459 1.643,460 0.691,461 0.86,463 1.603,464 0.641,465 16.9,466 0.457,467 1.31,468 0.035,469 33.5,470 0.905,471 9,472 0.243,473 24.5,474 0.662,475 53.411,476 1.444,477 43.7,478 0.607,479 33.97,480 0.918,481 6.266,482 0.169,483 11.267,484 0.305,485 0.217,486 0.059,487 0.379,493 0.803,494 1.4,495 0.804,496 1.289,497 0.692,498 1.083,499 0.917,500 0.949,501 0.821,502 0.896,503 0.585,504 0.835,505 0.877,506 1.098,507 0.956,508 1.099,509 0.75,510 1.054,511 0.844,512 1.187,513 0.905,514 1.19,515 0.903,516 1.086,517 1.037,518 1.036,519 0.9,520 1.007,521 1.049,522 0.934,523 1.275,524 1.08,525 1.106,526 1.067,527 1.45,528 1.045,529 1.165,530 1.191,531 1.244,532 1.22,533 1.367,534 1.25,535 1.08,536 0.968,537 1.081,538 0.968,539 1.157,540 1.017,541 9.5,542 0.18,543 6.222,544 4.917,545 5.057,546 3.288,547 2.312,548 1.309,549 0.68,550 0.332,551 15800,552 44164,553 2.023,554 48.6,555 9,556 16,557 1,559 2,560 3,561 4,564 1.795,565 1.82,566 3.192,567 0.189,573 107.798,574 1.497,575 3.555,576 5.197,577 5.517,578 5.517,579 5.517,580 2.707,581 4.939,582 5.177,583 3.371,584 2244.84,585 9.195,586 32735.1,591 444.235,592 1.784,593 5.092,594 0.232,595 0.007,596 0.097,597 0.063,598 0.059,599 0.035,600 0.025,601 0.017,602 0.013,603 0.009,604 0.559,605 0.33,606 0.63,607 1.092,608 193.776,609 -0.062,610 -0.108,611 0.049,612 -0.042,613 -0.059,614 0.02,615 -0.025,616 0.211,617 0.105,618 0.213,619 0.052,620 0.2,621 -0.028,622 0.045,623 -0.04,624 0.02,625 0.004,626 -0.007,627 -0.024,628 -0.113,629 0.021,630 -0.106,631 -0.057,632 -0.044,633 0.043,634 -0.027,635 0.094,636 0.004,637 0.014,638 0.052,639 -0.059,640 -0.04,641 -0.097,642 -0.056,643 -0.056,644 -0.081,646 -0.176,647 -0.241,648 -0.217,649 -0.02,650 -0.283,651 -0.05,652 -0.069,653 -0.063,654 -0.053,655 -0.059,656 -0.061,657 2.454,658 6.956,659 0.622,660 35.008,661 1.015,662 1.131,663 0.492,664 0.242,665 0.626,666 3.738,667 4.174,668 4.564,669 4.963,670 5.333,671 5.595,672 5.832,673 6.05,674 6.201,675 6.292,676 5.96,677 0.603,678 517.63,679 3.738,680 5.352,681 6.271,682 7.233,683 8.189,684 9.166,685 10.136,686 11.12,687 12.099,688 13.086,689 1.4,692 1,731 72,733 6,735 41,737 76,738 27,742 8,746 5,747 11,752 3,753 2,754 2,755 6,756 1,758 6,761 9,762 18,763 1,766 6,771 3,773 1,775 8,781 35,782 10,783 2,784 10,790 1,794 0.4,795 9,797 1,811 1,812 4,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 2,840 2,844 4,848 37,853 2,854 8,856 4,858 4,859 1,860 2,870 12.5,871 1,872 1,873 3,874 2,875 2,877 20.333,878 13.933,879 7.931,880 4.411,881 1.228,882 1.139,883 0.887,884 6.908,885 10.088,886 3.871,887 4.407,888 4.942,889 5.464,890 5.984,891 6.363,892 6.7,893 7.012,894 7.256,895 7.42,896 0.857,897 78,898 14.141,900 6.645,901 7.991,902 26.313,904 23.214,905 2.491,906 92.167,910 388.446,911 104.257,912 3.124,914 204.801,917 104.257,918 593.247,919 3.124,920 37.359,921 34.64,922 42.683,923 159.634,924 37.866,925 11.771,926 376.675,928 388.446,929 107.381,930 204.801,933 341.362,934 187.202,935 64.683,937 55.192,938 52.189,941 388.446,942 207.925,943 104.257,946 388.446,947 57.851,948 49.53,950 204.801,951 388.446,952 207.925,953 104.257,955 0.601,956 0.369,957 0.215,958 0.134,959 34,960 17,961 0.066,962 5,963 3,964 1.261,965 4.097,966 421.921,967 0.261,968 23,969 188.75,974 26.576,975 9.618,976 4.018,978 207.925,986 85.367,987 700.628,988 47,993 39.527,995 1.629,997 -1.15,999 73.069,1000 81.441,1001 0.243,1002 0.576,1003 0.842,1004 0.894,1005 0.894,1006 0.894,1007 5.236,1008 2.001,1009 6.351,1010 6.745,1011 4.86,1012 5.094,1013 3.161,1014 7.37,1015 4.793,1016 6.469,1017 1.788,1018 8.05,1019 5.903,1020 4.844,1021 5.165,1022 2.283,1023 8.894,1024 4.798,1025 7.843,1026 1.617,1027 9.872,1028 4.939,1029 6.696,1030 7.191,1031 4.251,1032 12.109,1033 6.607,1034 9.253,1035 1.478,1036 11.769,1037 4.605,1038 7.496,1039 8.059,1040 4.273,1041 14.468,1042 7.433,1043 10.704,1044 1.302,1045 13.717,1046 3.488,1047 8.935,1048 9.67,1049 5.715,1050 17.334,1051 8.848,1052 12.183,1053 1.087,1054 15.701,1055 3.21,1056 10.06,1057 10.867,1058 6.176,1059 19.971,1060 9.986,1061 13.684,1062 1,1063 17.71,1064 2.589,1065 11.393,1066 12.357,1067 7.348,1068 22.757,1069 11.306,1070 3.849,1071 0.691,1072 19.739,1073 2.136,1074 12.64,1075 13.697,1076 8.027,1077 25.483,1078 12.556,1079 3.575,1080 16.383,1081 21.783,1082 1.603,1083 13.954,1084 15.156,1085 9.063,1086 28.255,1087 13.861,1088 2.856,1089 14.589,1090 23.838,1091 4.407,1092 15.248,1093 16.562,1094 9.85,1095 31.012,1096 15.152,1097 2.789,1098 10.49,1099 25.902,1100 3.784,1101 16.564,1102 18.018,1103 10.818,1104 33.784,1105 16.46,1106 2.529,1107 10.006,1108 27.973,1109 3.406,1110 17.877,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.362,1116 8.078,1117 30.05,1118 3.184,1119 19.198,1120 20.917,1121 12.594,1122 39.33,1123 19.082,1124 2.21,1125 7.353,1126 32.131,1127 2.904,1128 20.521,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 15297,1134 25653,1135 26.065,1136 45.04,1137 64.868,1138 67.457,1139 69.078,1140 63.566,1141 63.59,1142 71.048,1143 16.644,1144 207.425,1145 61.064,1146 6.02,1147 6.18,1148 8.068,1149 5.945,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 23.309,1156 1.582,1157 1.645,1158 1.685,1159 1.55,1160 1.551,1161 1.733,1162 0.406,1163 5.059,1164 1.489,1165 4.129,1166 4.145,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.891,1172 3.922,1173 3.818,1174 3.778,1175 7.431,1176 3.782,1177 3.758,1178 3.806,1179 3.648,1180 3.561,1181 7.427,1182 3.575,1183 3.577,1184 3.593,1185 3.493,1186 3.353,1187 6.46,1188 3.376,1189 3.514,1190 3.533,1191 3.44,1192 3.29,1193 6.448,1194 3.317,1195 3.425,1196 3.444,1197 3.335,1198 3.243,1199 4.722,1200 3.26,1201 3.31,1202 3.367,1203 3.158,1204 3.135,1205 4.629,1206 3.125,1207 3.229,1208 3.296,1209 3.035,1210 2.991,1211 4.548,1212 2.992,1213 0.122,1214 0.103,1215 0.202,1216 0.118,1217 0.094,1218 5.02,1219 0.107,1220 4.232,1221 0.06,1222 8.266,1223 0.4,1224 4.842,1225 0.093,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.117,1234 2.128,1235 1.521,1236 2.122,1237 1.787,1238 1.755,1239 1.95,1240 1.974,1241 1.272,1242 1.968,1243 1.68,1244 1.629,1245 1.888,1246 1.882,1247 1.199,1248 1.882,1249 1.581,1250 1.53,1251 1.827,1252 1.767,1253 1.181,1254 1.786,1255 1.435,1256 1.404,1257 1.696,1258 1.705,1259 0.825,1260 1.692,1261 1.404,1262 1.368,1263 1.656,1264 1.662,1265 0.816,1266 1.657,1267 1.315,1268 1.286,1269 1.542,1270 1.521,1271 0.767,1272 1.523,1273 1.191,1274 1.141,1275 1.513,1276 1.467,1277 0.678,1278 1.456,1279 4.419,1281 5.826,1282 2.398,1283 7.451,1284 4.844,1285 9.194,1286 7.034,1287 11.009,1289 6.503,1294 22.418,1295 3.413,1297 22.594,1299 -2.756,1300 1.903,1301 -1.915,1305 43.41,1306 107.798,1307 255.97,1308 374.196,1309 397.215,1310 397.215,1311 397.215,1312 128.867,1313 8.86,1314 131.83,1315 131.83,1316 29,1317 13.554,1318 2.807,1319 2.807,1320 55.937,1321 128,1322 163,1323 0.216,1324 257.993,1325 488.13,1326 621.262,1327 83970,1329 26.698,1330 0.722,1331 0.588,1332 26.698,1333 21.743,1334 17.534,1335 0.428,1336 0.314,1337 12.606,1338 16.544,1339 12.236,1340 9.952,1341 17.534,1342 12.857,1343 17,1344 0.266,1345 0.173,1346 17,1347 11.077,1348 14.882,1349 0.157,1350 0.095,1351 14.882,1352 9.013,1353 13.204,1354 0.093,1355 0.05,1356 13.204,1357 7.161,1358 11.668,1359 0.057,1360 0.026,1361 11.668,1362 5.335,1363 0.319,1364 112.542,1365 0.196,1366 31.988,1367 0.669,1368 210,1369 670.093,1370 236.549,1371 608.732,1372 806.07,1373 568,1374 264,1375 561.768,1376 290.584,1377 559.683,1378 842.72,1379 524,1380 7.432}
{0 CHEMBL412076,1 1.504,2 10,3 -0.703,4 0.494,5 135.942,6 7.142,8 4.417,9 4.514,10 3.913,11 3.851,12 5.534,13 3.85,14 5.025,15 5.183,16 4.35,17 4.322,18 6.109,19 4.303,20 5.358,21 5.522,22 4.599,23 4.623,24 6.464,25 4.584,26 5.597,27 5.782,28 4.748,29 4.782,30 6.659,31 4.733,32 5.752,33 5.939,34 4.864,35 4.817,36 6.957,37 4.789,38 5.757,39 5.93,40 4.86,41 4.811,42 7.066,43 4.79,44 5.78,45 5.956,46 4.76,47 4.794,48 7.134,49 4.735,50 5.791,51 6.035,52 4.476,53 4.65,54 6.953,55 4.542,56 0.219,57 0.992,58 17.025,59 7.629,60 36.156,61 9.51,62 0.807,63 1.659,64 34.106,65 12.796,66 93.643,67 16.755,68 1.1,69 2.27,70 47.786,71 18.119,72 140.078,73 23.869,74 1.112,75 2.741,76 61.474,77 22.418,78 157.445,79 30.224,80 2.179,81 2.915,82 75.358,83 23.636,84 268.538,85 32.057,86 2.458,87 2.906,88 76.127,89 23.036,90 339.486,91 30.812,92 2.733,93 2.916,94 78.136,95 23.7,96 396.484,97 32.182,98 2.522,99 2.706,100 82.716,101 22.375,102 350.818,103 32.761,104 156,105 63,106 0.235,107 0.563,108 0.814,109 0.868,110 0.868,111 0.868,112 3.669,113 0.945,114 -1,115 -1.1,116 -1.19,119 36,120 3,121 3,122 1,123 2,124 1,125 5,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 9,180 3,183 15,186 1,187 12,190 3,192 7,195 15,198 2,199 16,204 4,207 11,211 3,212 18,215 4,217 5,220 11,223 4,224 10,227 3,228 1,229 6,232 10,236 6,237 13,240 5,241 1,242 5,245 5,249 1,250 7,253 2,254 2,255 6,262 2,263 6,266 3,268 2,275 2612,276 24.89,277 24.89,278 24.89,279 24.89,280 24.89,281 23.848,282 29.205,283 14.303,284 25.469,285 20.045,286 20.045,287 20.045,288 20.045,289 20.045,290 18.143,291 35.763,292 6.438,293 20.895,294 4.725,295 2.627,296 1.024,297 0.68,298 0.68,299 0.68,300 4.35,306 791,307 5.05,310 66.298,311 201.431,314 110.349,315 223.158,318 1.526,319 84.655,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.64,330 86.5,331 380,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.17,351 3.65,352 6.696,353 3.836,354 2.854,355 3.406,356 1.148,357 10.489,358 2.805,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.006,367 2.778,368 3.728,369 3.461,370 5.947,371 3.456,372 2.517,373 2.902,374 0.8,375 8.076,376 2.357,377 3.567,378 2.901,379 5.765,380 3.275,381 2.335,382 2.73,383 0.525,384 7.351,385 2.177,386 3.435,387 2.835,388 5.361,389 3.173,390 2.209,391 2.486,393 6.705,394 2.11,395 3.188,396 2.592,397 5.285,398 2.972,399 1.997,400 2.207,402 5.898,403 1.928,404 2.925,405 2.373,406 5.085,407 2.767,408 1.785,409 1.918,411 4.939,412 1.732,413 2.656,414 2.092,415 4.624,416 2.578,417 1.617,418 1.648,420 4.605,421 1.544,422 2.52,423 1.842,424 4.282,425 2.271,426 1.318,427 1.435,428 3.488,429 1.244,430 2.439,431 1.733,432 4.123,433 2.17,434 1.247,435 1.325,436 2.79,437 1.142,438 2.247,439 1.672,440 3.825,441 2.079,442 1.141,443 1.247,445 2.117,446 1.056,447 2.115,448 1.653,449 3.77,450 1.797,451 0.901,452 0.963,454 1.735,455 0.796,456 1.862,457 1.365,458 3.253,459 1.559,460 0.616,461 0.712,463 1.261,464 0.566,465 17.233,466 0.454,467 1.31,468 0.034,469 33.5,470 0.882,471 9,472 0.237,473 24.5,474 0.645,475 55.943,476 1.472,477 45.767,478 0.61,479 36.379,480 0.957,481 6.434,482 0.169,483 11.514,484 0.303,485 0.251,486 0.058,487 0.371,493 0.86,494 1.39,495 0.847,496 1.28,497 0.785,498 1.092,499 0.866,500 0.99,501 0.826,502 0.937,503 0.644,504 0.873,505 0.823,506 1.083,507 0.914,508 1.082,509 0.733,510 1.03,511 0.831,512 1.208,513 0.892,514 1.207,515 0.808,516 1.088,517 1.044,518 1.076,519 0.932,520 1.049,521 0.996,522 0.976,523 1.209,524 1.065,525 1.075,526 1.052,527 1.264,528 1.029,529 1.108,530 1.199,531 1.212,532 1.227,533 1.197,534 1.247,535 1.08,536 0.996,537 1.078,538 0.993,539 1.08,540 1.03,541 10,542 0.247,543 6.444,544 5.104,545 5.146,546 3.448,547 2.473,548 1.434,549 0.782,550 0.408,551 15838,552 48562,553 1.95,554 49.3,555 9,556 16,557 1,559 4,560 3,561 4,564 1.802,565 1.74,566 3.226,567 1.501,573 112.81,574 1.504,575 3.602,576 5.205,577 5.549,578 5.549,579 5.549,580 2.739,581 4.88,582 5.214,583 3.414,584 2400.39,585 9.273,586 35894.8,591 467.161,592 1.796,593 5.116,594 0.244,595 0.009,596 0.102,597 0.065,598 0.058,599 0.036,600 0.026,601 0.018,602 0.014,603 0.01,604 0.581,605 0.17,606 0.75,607 1.616,608 201.146,609 -0.096,610 -0.059,611 0.017,612 0.006,613 -0.093,614 0.036,615 -0.024,616 0.205,617 0.092,618 0.207,619 0.023,620 0.189,621 -0.007,622 0.089,623 -0.001,624 0.062,625 -0.003,626 0.037,627 -0.03,628 -0.096,629 0.028,630 -0.096,631 -0.047,632 -0.029,633 0.011,634 -0.049,635 0.055,636 -0.021,637 -0.02,638 0.021,639 -0.045,640 -0.025,641 -0.068,642 -0.036,643 -0.044,644 -0.054,645 0.03,646 -0.171,647 -0.211,648 -0.211,649 0.023,650 -0.27,651 -0.045,652 -0.09,653 -0.065,654 -0.075,655 -0.029,656 -0.076,657 2.567,658 6.941,659 0.447,660 37.762,661 1.017,662 1.134,663 -0.231,664 0.054,665 0.617,666 3.738,667 4.159,668 4.543,669 4.942,670 5.303,671 5.583,672 5.814,673 6.021,674 6.159,675 6.238,676 6.142,677 0.595,678 535.65,679 3.738,680 5.342,681 6.256,682 7.217,683 8.172,684 9.15,685 10.121,686 11.107,687 12.086,688 13.075,689 1.3,692 1,731 75,733 6,735 41,737 78,738 27,742 8,746 4,747 10,752 5,753 2,754 2,755 6,756 1,758 6,761 9,762 18,763 1,766 6,771 3,773 1,775 8,781 37,782 11,783 4,784 11,790 1,794 0.25,795 10,796 2,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 4,839 1,840 1,844 4,848 38,853 4,854 8,856 3,858 4,859 1,860 2,870 13.3,871 3,872 1,873 3,874 1,875 2,877 21.833,878 14.167,879 8.431,880 4.444,881 1.171,882 1.135,883 0.848,884 8.249,885 9.861,886 3.871,887 4.394,888 4.927,889 5.451,890 5.969,891 6.354,892 6.685,893 6.983,894 7.215,895 7.368,896 0.857,897 79,898 14.535,900 6.774,901 8.149,902 26.595,904 23.008,905 2.649,906 100.667,910 388.446,911 95.072,912 3.124,914 279.168,917 95.072,918 667.614,919 3.124,920 37.359,921 25.455,922 128.05,923 148.634,924 37.866,925 11.771,926 376.675,928 388.446,929 98.196,930 279.168,933 341.362,934 187.202,935 139.05,937 46.007,938 52.189,941 388.446,942 282.292,943 95.072,946 388.446,947 48.666,948 49.53,950 279.168,951 388.446,952 282.292,953 95.072,955 0.589,956 0.363,957 0.216,958 0.133,959 31,960 17,961 0.115,962 9,963 3,964 1.353,965 4.068,966 426.087,967 0.353,968 17,969 193.421,974 28.931,975 10.835,976 4.587,978 282.292,986 170.733,987 765.81,988 47,993 39.48,995 1.369,997 -2.01,999 76.28,1000 85.066,1001 0.241,1002 0.578,1003 0.836,1004 0.891,1005 0.891,1006 0.891,1007 5.226,1008 1.997,1009 6.337,1010 6.705,1011 4.844,1012 5.081,1013 3.096,1014 7.359,1015 4.782,1016 6.46,1017 1.785,1018 8.04,1019 5.898,1020 4.844,1021 5.165,1022 2.283,1023 8.894,1024 4.798,1025 7.834,1026 1.617,1027 9.865,1028 4.939,1029 6.683,1030 7.183,1031 4.235,1032 12.107,1033 6.601,1034 9.246,1035 1.318,1036 11.765,1037 4.605,1038 7.496,1039 8.059,1040 4.273,1041 14.468,1042 7.433,1043 10.699,1044 1.247,1045 13.715,1046 3.488,1047 8.928,1048 9.666,1049 5.712,1050 17.334,1051 8.844,1052 12.179,1053 1.141,1054 15.699,1055 2.79,1056 10.059,1057 10.866,1058 6.176,1059 19.971,1060 9.985,1061 13.681,1062 0.901,1063 17.709,1064 2.117,1065 11.389,1066 12.355,1067 7.348,1068 22.757,1069 11.305,1070 3.849,1071 0.616,1072 19.739,1073 1.735,1074 12.639,1075 13.697,1076 8.027,1077 25.483,1078 12.555,1079 3.575,1080 16.383,1081 21.783,1082 1.261,1083 13.952,1084 15.155,1085 9.063,1086 28.255,1087 13.861,1088 2.854,1089 14.589,1090 23.838,1091 4.407,1092 15.247,1093 16.562,1094 9.85,1095 31.012,1096 15.151,1097 2.789,1098 10.489,1099 25.902,1100 3.784,1101 16.563,1102 18.018,1103 10.818,1104 33.784,1105 16.46,1106 2.517,1107 10.006,1108 27.973,1109 3.406,1110 17.876,1111 19.456,1112 11.661,1113 36.554,1114 17.768,1115 2.335,1116 8.076,1117 30.05,1118 3.184,1119 19.198,1120 20.916,1121 12.594,1122 39.33,1123 19.082,1124 2.209,1125 7.351,1126 32.131,1127 2.902,1128 20.52,1129 22.372,1130 13.464,1131 42.107,1132 20.397,1133 15977,1134 27995,1135 25.372,1136 46.256,1137 64.035,1138 66.706,1139 69.836,1140 62.765,1141 62.748,1142 70.199,1143 14.924,1144 203.688,1145 60.398,1146 6.02,1147 6.18,1148 8.068,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 26.68,1156 1.562,1157 1.627,1158 1.703,1159 1.531,1160 1.53,1161 1.712,1162 0.364,1163 4.968,1164 1.473,1165 4.128,1166 4.144,1167 4.082,1168 4.051,1169 7.437,1170 4.055,1171 3.885,1172 3.913,1173 3.814,1174 3.776,1175 7.431,1176 3.78,1177 3.704,1178 3.762,1179 3.595,1180 3.518,1181 7.427,1182 3.528,1183 3.574,1184 3.592,1185 3.487,1186 3.342,1187 6.464,1188 3.365,1189 3.514,1190 3.533,1191 3.436,1192 3.29,1193 6.456,1194 3.317,1195 3.405,1196 3.428,1197 3.308,1198 3.221,1199 6.453,1200 3.235,1201 3.368,1202 3.427,1203 3.178,1204 3.132,1205 6.447,1206 3.124,1207 3.309,1208 3.364,1209 3.158,1210 3.126,1211 4.711,1212 3.123,1213 0.122,1214 0.103,1215 0.202,1216 0.118,1217 0.094,1218 5.02,1219 0.107,1220 4.232,1221 0.06,1222 8.266,1223 0.4,1224 4.842,1225 0.093,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.778,1238 1.749,1239 1.932,1240 1.942,1241 1.269,1242 1.939,1243 1.64,1244 1.583,1245 1.862,1246 1.857,1247 1.188,1248 1.859,1249 1.577,1250 1.523,1251 1.824,1252 1.767,1253 1.137,1254 1.785,1255 1.434,1256 1.402,1257 1.696,1258 1.704,1259 0.873,1260 1.692,1261 1.398,1262 1.362,1263 1.655,1264 1.658,1265 0.815,1266 1.655,1267 1.327,1268 1.27,1269 1.643,1270 1.612,1271 0.764,1272 1.62,1273 1.302,1274 1.262,1275 1.534,1276 1.511,1277 0.676,1278 1.513,1279 4.419,1281 5.814,1282 2.398,1283 7.43,1284 4.844,1285 9.17,1286 7.034,1287 10.988,1289 6.3,1294 41.328,1295 0.78,1297 17.02,1299 -3.018,1300 1.497,1301 -2.079,1305 44.652,1306 112.81,1307 270.142,1308 390.367,1309 416.142,1310 416.142,1311 416.142,1312 165.4,1313 8.691,1314 163.06,1315 163.06,1316 23,1317 13.542,1318 2.807,1319 2.807,1320 66.623,1321 135,1322 168,1323 0.245,1324 269.382,1325 509.28,1326 649.053,1327 66272,1329 27.991,1330 0.737,1331 0.585,1332 27.991,1333 22.229,1334 17.948,1335 0.438,1336 0.315,1337 12.658,1338 16.928,1339 12.286,1340 10.027,1341 17.948,1342 12.912,1343 16.939,1344 0.269,1345 0.173,1346 16.939,1347 10.911,1348 14.551,1349 0.156,1350 0.094,1351 14.551,1352 8.742,1353 12.978,1354 0.093,1355 0.05,1356 12.978,1357 6.953,1358 11.209,1359 0.056,1360 0.025,1361 11.209,1362 5.091,1363 0.362,1364 115.441,1365 0.199,1366 32.678,1367 0.755,1368 208,1369 688.657,1370 234.549,1371 626.162,1372 818.09,1373 582,1374 260,1375 557.162,1376 285.919,1377 555.829,1378 834.42,1379 520,1380 6.037}
{0 CHEMBL413802,1 1.874,2 10.269,3 4.359,4 19.003,5 104.267,6 9.5,7 0.571,8 3.837,9 3.911,10 3.795,11 3.497,12 5.047,13 3.435,14 4.333,15 4.447,16 4.117,17 3.874,18 5.822,19 3.808,20 4.508,21 4.628,22 4.182,23 3.99,24 5.892,25 3.907,26 4.664,27 4.806,28 4.077,29 3.919,30 6.044,31 3.84,32 4.583,33 4.769,34 3.971,35 3.712,36 5.896,37 3.665,38 4.453,39 4.61,40 4.011,41 3.699,42 6.164,43 3.63,44 4.478,45 4.672,46 3.825,47 3.679,48 5.82,49 3.577,50 4.224,51 4.393,52 3.566,53 3.558,54 5.532,55 3.461,56 0.194,57 0.63,58 7.617,59 4.136,60 14.629,61 4.043,62 0.476,63 0.982,64 14.048,65 6.762,66 73.853,67 6.893,68 0.384,69 1.179,70 19.837,71 8.835,72 38.007,73 8.301,74 0.644,75 1.292,76 29.262,77 10.39,78 97.1,79 8.994,80 0.765,81 1.173,82 25.351,83 8.358,84 110.55,85 7.768,86 0.823,87 1.048,88 20.142,89 7.387,90 135.076,91 6.9,92 0.641,93 1.022,94 26.661,95 8.881,96 87.032,97 8.577,98 0.411,99 0.765,100 16.6,101 6.727,102 62.697,103 6.729,104 38,105 41,106 0.323,107 0.638,108 0.775,109 0.857,110 0.866,111 0.866,112 3.304,113 1.057,114 -4.75,115 -4.66,116 -4.38,119 41.5,120 1,124 1,142 7,143 3,144 2,151 1,152 1,155 1,166 3,172 8,174 4,175 3,183 12,186 2,187 13,195 9,199 14,207 2,211 3,212 14,223 7,224 8,232 2,236 2,237 5,245 4,250 5,258 7,263 5,271 9,275 982,276 16.894,277 16.894,278 16.894,279 16.894,280 16.894,281 14.286,282 10.915,283 9.631,284 17.286,285 13.736,286 13.736,287 13.736,288 13.736,289 13.736,290 9.723,291 8.46,292 4.479,293 14.4,294 3.484,295 1.651,296 0.858,297 0.378,298 0.33,299 0.33,300 3.976,304 1,305 1,306 566,307 4.123,310 61.43,311 167.547,314 114.755,318 1.5,319 40.79,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 57.5,331 267,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.531,342 3.775,343 6.526,344 4.022,345 3.061,346 4.484,348 10.265,349 2.943,350 4.235,351 3.08,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.684,359 3.765,360 2.648,361 5.731,362 3.308,363 2.327,364 3.234,366 7.143,367 2.279,368 3.504,369 2.291,370 5.134,371 3.014,372 2.046,373 2.875,375 6.019,376 1.973,377 3.047,378 1.934,379 4.694,380 2.577,381 1.619,382 2.319,384 4.396,385 1.54,386 3.011,387 1.899,388 4.19,389 2.468,390 1.545,391 2.111,393 3.739,394 1.407,395 2.914,396 1.546,397 3.917,398 2.235,399 1.236,400 2.012,402 3.045,403 1.234,404 2.678,405 1.354,406 3.769,407 2.177,408 1.196,409 1.744,411 2.846,412 1.168,413 2.585,414 1.106,415 3.587,416 2.046,417 1.063,418 1.585,420 2.705,421 1.04,422 2.154,423 1,424 3.245,425 1.577,426 0.701,427 0.986,428 1.614,429 0.599,430 1.824,431 0.89,432 3.011,433 1.174,434 0.255,435 0.378,436 0.586,437 0.232,438 1.251,439 0.513,440 2.745,441 0.879,442 -0.101,443 -0.13,445 -0.235,446 -0.099,447 1,448 0.402,449 2.312,450 0.239,451 -0.697,452 -0.851,454 -1.675,455 -0.628,456 1,457 -0.18,458 2.295,459 0.156,460 -0.816,461 -1.158,463 -2,464 -0.777,465 12.7,466 0.488,467 0.869,468 0.033,469 37.25,470 1.433,471 21.5,472 0.827,473 15.75,474 0.606,475 18.996,476 0.731,477 27.5,478 0.671,479 29.36,480 1.129,481 7.199,482 0.277,483 5.103,484 0.196,485 0.184,486 0.066,487 0.299,493 0.288,494 1.032,495 0.741,496 1.041,497 0.569,498 0.864,499 0.497,500 0.91,501 0.783,502 0.818,503 0.469,504 0.764,505 0.802,506 1.178,507 1.17,508 1.194,509 0.666,510 1.058,511 1.417,512 1.348,513 1.404,514 1.336,515 1.371,516 1.209,517 1.36,518 1.02,519 0.946,520 0.889,521 1.432,522 0.915,523 0.84,524 0.898,525 0.803,526 0.789,527 0.73,528 0.968,529 1.141,530 0.809,531 1.097,532 0.984,533 1.157,534 0.928,535 1.18,536 0.753,537 0.968,538 0.837,539 1.196,540 0.934,541 6.5,542 0.12,543 4.667,544 2.479,545 1.453,546 1.181,547 0.651,548 0.41,549 0.245,550 0.195,551 7589,552 27309,553 1.983,554 36.6,555 3,556 10,557 1,558 1,564 1.691,565 1.803,566 3.328,567 -0.646,569 1,573 76.815,574 1.874,575 3.707,576 4.5,577 4.979,578 5.028,579 5.028,580 2.738,581 4.085,582 4.676,583 3.49,584 1134.35,585 8.101,586 14087.2,588 1,590 1,591 219.66,592 1.717,593 4.592,594 0.232,595 0.007,596 0.114,597 0.058,598 0.039,599 0.037,600 0.02,601 0.015,602 0.01,603 0.009,604 0.541,605 0.17,606 1,607 0.85,608 126.848,609 0.292,610 0.079,611 0.18,612 -0.009,613 -0.078,614 0.018,615 0.275,616 0.148,617 0.125,618 0.161,619 0.254,620 0.147,621 -0.023,622 -0.103,623 -0.132,624 -0.131,625 0.071,626 -0.125,627 -0.285,628 -0.347,629 -0.295,630 -0.268,631 -0.194,632 -0.253,633 -0.153,634 -0.022,635 0.009,636 0.015,637 -0.241,638 0.024,639 0.319,640 0.138,641 0.085,642 0.088,643 0.401,644 -0.081,645 -0.067,646 0.145,647 0.008,648 0.054,649 -0.069,650 0.11,651 -0.194,652 0.131,653 -0.056,654 0.113,655 -0.137,656 0.08,657 4.914,658 5.743,659 0.577,660 20.982,661 1.026,662 1.114,663 3.519,664 12.384,665 0.724,666 3.367,667 3.738,668 4.007,669 4.19,670 4.344,671 4.369,672 4.357,673 4.369,674 4.248,675 4.277,676 6.162,677 0.694,678 389.49,679 3.367,680 4.934,681 5.796,682 6.688,683 7.57,684 8.464,685 9.351,686 10.247,687 11.134,688 12.031,689 7.3,692 1,698 1,700 1,703 2,704 8,708 1,709 4,711 16,725 1,731 41,733 21,734 2,735 28,737 43,738 17,739 14,740 5,741 7,742 1,746 3,747 4,752 1,761 15,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 15,782 6,784 9,785 2,790 3,794 0.667,795 4,811 1,812 2,815 1,840 2,842 2,844 2,848 26,852 1,859 1,865 1,870 9.8,873 2,876 2,877 14.417,878 8.1,879 5.611,880 2.2,881 3.791,882 1.539,883 0.986,884 5.076,885 10.828,886 3.738,887 4.428,888 5.006,889 5.565,890 6.046,891 6.374,892 6.656,893 6.942,894 6.904,895 7.237,896 0.857,897 43,898 9.918,900 4.609,901 8.183,902 17.712,904 14.56,905 2.683,906 69.75,909 1,910 176.567,911 151.334,912 23.729,914 95.06,916 37.085,917 114.249,918 271.626,919 23.729,920 22.892,922 79.79,923 65.131,924 31.311,925 12.517,926 184.302,927 50.747,928 176.567,929 137.978,930 95.06,931 37.085,933 176.567,934 44.313,935 50.747,937 26.884,938 96.377,939 20.525,940 31.278,941 176.567,942 118.789,943 151.334,945 5.807,946 176.567,947 45.275,948 107.318,950 111.723,951 176.567,952 118.789,953 151.334,955 0.6,956 0.359,957 0.175,958 0.09,959 20,960 10,961 0.116,962 5,963 1,964 1.133,965 3.656,966 217.378,967 0.133,968 15,969 118.211,970 1,973 1,974 18.491,975 7.138,976 3.647,977 2.063,978 113.119,979 13.38,983 1.543,984 0.805,987 446.69,988 41,990 -0.626,991 -3.998,993 47.357,995 1.475,996 4.038,999 42.069,1000 45.664,1001 0.35,1002 0.692,1003 0.84,1004 0.929,1005 0.938,1006 0.938,1007 4.984,1008 1.236,1009 5.844,1010 3.739,1011 4.419,1012 5.115,1013 2.501,1014 6.739,1015 4.325,1016 6.263,1017 1.196,1018 7.478,1019 3.045,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.13,1025 7.638,1026 1.063,1027 9.233,1028 2.846,1029 6.146,1030 7.519,1031 4.154,1032 11.135,1033 5.941,1034 9.06,1035 0.701,1036 11.061,1037 2.705,1038 6.836,1039 8.504,1040 4.506,1041 13.296,1042 6.538,1043 10.518,1044 0.255,1045 12.938,1046 1.614,1047 8.248,1048 10.275,1049 5.948,1050 16.011,1051 7.903,1052 12.003,1053 -0.101,1054 14.85,1055 0.586,1056 9.266,1057 11.587,1058 6.556,1059 18.464,1060 8.82,1061 13.508,1062 -0.697,1063 16.788,1064 -0.235,1065 10.542,1066 13.205,1067 7.794,1068 21.095,1069 10.036,1070 3.535,1071 -0.816,1072 18.746,1073 -1.675,1074 11.691,1075 14.65,1076 8.548,1077 23.65,1078 11.085,1079 3.061,1080 13.729,1081 20.72,1082 -2,1083 12.931,1084 16.216,1085 9.67,1086 26.264,1087 12.252,1088 2.756,1089 10.265,1090 22.706,1091 4.803,1092 14.133,1093 17.717,1094 10.509,1095 28.857,1096 13.359,1097 2.327,1098 8.469,1099 24.702,1100 4.484,1101 15.369,1102 19.267,1103 11.563,1104 31.47,1105 14.513,1106 2.046,1107 7.143,1108 26.706,1109 3.917,1110 16.595,1111 20.793,1112 12.452,1113 34.077,1114 15.646,1115 1.619,1116 6.019,1117 28.717,1118 3.234,1119 17.835,1120 22.34,1121 13.468,1122 36.692,1123 16.8,1124 1.545,1125 4.396,1126 30.733,1127 2.875,1128 19.073,1129 23.879,1130 14.386,1131 39.306,1132 17.947,1133 7443,1134 14308,1135 17.8,1136 29.699,1137 43.274,1138 45.029,1139 44.82,1140 42.613,1141 42.682,1142 60.896,1143 5.225,1144 129.114,1145 40.709,1146 5.762,1147 6.741,1148 7.38,1149 5.558,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.422,1156 1.545,1157 1.608,1158 1.601,1159 1.522,1160 1.524,1161 2.175,1162 0.187,1163 4.611,1164 1.454,1165 4.129,1166 4.124,1167 4.742,1168 4.12,1169 7.815,1170 4.063,1171 4.055,1172 4.055,1173 4.319,1174 4.061,1175 7.715,1176 3.991,1177 3.787,1178 3.786,1179 3.881,1180 3.613,1181 6.999,1182 3.566,1183 3.497,1184 3.541,1185 3.452,1186 3.362,1187 6.999,1188 3.33,1189 3.403,1190 3.429,1191 3.438,1192 3.152,1193 4.907,1194 3.197,1195 3.151,1196 3.201,1197 3.277,1198 3.014,1199 4.647,1200 2.957,1201 3.006,1202 3.082,1203 2.887,1204 2.851,1205 4.574,1206 2.813,1207 2.964,1208 3.022,1209 2.8,1210 2.678,1211 4.116,1212 2.719,1213 0.177,1214 0.169,1215 0.275,1216 0.159,1217 0.126,1218 4.96,1219 0.172,1220 4.741,1221 0.093,1222 7.698,1223 0.49,1224 4.463,1225 0.116,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 1.992,1232 1.997,1233 2.021,1234 2.11,1235 1.234,1236 2.108,1237 1.926,1238 1.91,1239 2.007,1240 1.982,1241 1.15,1242 1.996,1243 1.6,1244 1.592,1245 1.672,1246 1.845,1247 0.8,1248 1.826,1249 1.453,1250 1.464,1251 1.565,1252 1.683,1253 0.7,1254 1.638,1255 1.313,1256 1.26,1257 1.523,1258 1.513,1259 0.612,1260 1.558,1261 1.081,1262 1.036,1263 1.151,1264 1.324,1265 0.421,1266 1.375,1267 1.003,1268 0.963,1269 1.13,1270 1.25,1271 0.298,1272 1.259,1273 0.907,1274 0.84,1275 1.072,1276 1.092,1277 0.123,1278 1.155,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.727,1285 8.583,1286 6.823,1287 10.263,1289 2.888,1300 0.825,1305 28.458,1306 76.815,1307 151.969,1308 184.498,1309 204.15,1310 206.15,1311 206.15,1312 64.035,1313 7.037,1314 95.56,1315 132.18,1316 17,1317 12.557,1318 4.459,1319 3.807,1320 44.373,1321 96,1322 88,1323 0.226,1324 183.943,1325 314.3,1326 440.581,1327 10404,1329 18.897,1330 0.727,1331 0.601,1332 19.501,1333 15.62,1334 12.303,1335 0.439,1336 0.352,1337 7.636,1338 10.527,1339 7.186,1340 6.005,1341 13.545,1342 9.866,1343 11.747,1344 0.287,1345 0.205,1346 13.64,1347 8.408,1348 9.857,1349 0.183,1350 0.123,1351 11.951,1352 6.646,1353 7.415,1354 0.114,1355 0.07,1356 9.261,1357 4.539,1358 5.638,1359 0.074,1360 0.038,1361 7.107,1362 2.921,1363 0.353,1364 90.233,1365 0.237,1366 24.998,1367 0.623,1368 138,1369 493.598,1370 215.013,1371 515.491,1372 684.54,1373 470,1374 164,1375 460.444,1376 246.257,1377 513.229,1378 741.83,1379 477,1380 5}
{0 CHEMBL413803,1 1.756,2 10.333,3 4.406,4 19.411,5 105.433,6 8.715,7 0.586,8 3.894,9 3.98,10 3.745,11 3.511,12 5.101,13 3.472,14 4.39,15 4.517,16 4.053,17 3.881,18 5.859,19 3.84,20 4.605,21 4.742,22 4.155,23 4.044,24 5.952,25 3.982,26 4.754,27 4.912,28 4.068,29 3.991,30 6.105,31 3.927,32 4.711,33 4.91,34 4.004,35 3.834,36 5.987,37 3.781,38 4.569,39 4.751,40 3.928,41 3.735,42 6.209,43 3.684,44 4.548,45 4.755,46 3.77,47 3.734,48 5.866,49 3.644,50 4.415,51 4.594,52 3.6,53 3.664,54 5.743,55 3.586,56 0.192,57 0.658,58 9.264,59 4.266,60 12.48,61 4.585,62 0.455,63 1.014,64 14.751,65 6.675,66 71.013,67 7.616,68 0.354,69 1.262,70 21.922,71 9.195,72 35.818,73 9.766,74 0.58,75 1.36,76 28.806,77 10.308,78 91.125,79 10.487,80 0.747,81 1.295,82 27.945,83 8.898,84 106.832,85 9.603,86 0.852,87 1.139,88 21.688,89 7.376,90 136.979,91 8.321,92 0.591,93 1.058,94 24.678,95 8.447,96 81.789,97 9.381,98 0.452,99 0.892,100 21.04,101 7.791,102 72.22,103 8.346,104 38,105 42,106 0.298,107 0.568,108 0.709,109 0.822,110 0.859,111 0.874,112 3.34,113 0.983,114 -5.15,115 -5.04,116 -4.72,119 43.2,120 1,124 1,142 10,143 4,144 2,155 1,166 3,172 14,174 4,175 3,183 18,186 2,187 14,195 15,199 16,207 6,211 3,212 16,220 2,223 7,224 11,232 2,236 2,237 7,245 6,250 7,258 11,263 6,271 14,275 1078,276 17.601,277 17.601,278 17.601,279 17.601,280 17.601,281 14.863,282 10.915,283 10.117,284 17.82,285 14.236,286 14.236,287 14.236,288 14.236,289 14.236,290 10.056,291 8.46,292 4.705,293 14.614,294 3.703,295 2.109,296 1.278,297 0.614,298 0.398,299 0.307,300 4.015,304 1,305 1,306 590,307 4.123,311 242.919,315 126.522,318 1.506,319 41.182,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 59.5,331 279,332 4.96,333 4.741,334 7.698,335 4.463,336 3.535,337 4.803,338 2.612,339 13.729,340 3.254,341 4.501,342 3.775,343 6.506,344 4.028,345 3.03,346 4.441,348 10.196,349 3.025,350 4.235,351 3.05,352 6.051,353 3.73,354 2.756,355 3.917,357 8.469,358 2.685,359 3.766,360 2.649,361 5.731,362 3.31,363 2.329,364 3.235,366 7.144,367 2.281,368 3.577,369 2.315,370 5.206,371 3.115,372 2.121,373 2.995,375 6.255,376 2.107,377 3.118,378 1.986,379 4.696,380 2.618,381 1.632,382 2.427,384 4.414,385 1.618,386 3.03,387 1.903,388 4.172,389 2.589,390 1.618,391 2.12,393 3.78,394 1.55,395 2.914,396 1.618,397 3.919,398 2.273,399 1.274,400 2.012,402 3.049,403 1.273,404 2.766,405 1.357,406 3.77,407 2.234,408 1.235,409 1.895,411 2.857,412 1.234,413 2.654,414 1.253,415 3.595,416 2.103,417 1.113,418 1.684,420 2.784,421 1.1,422 2.355,423 1,424 3.381,425 1.914,426 0.921,427 1.281,428 2.17,429 0.914,430 1.927,431 0.984,432 3.084,433 1.33,434 0.379,435 0.55,436 0.865,437 0.359,438 1.251,439 0.706,440 2.768,441 0.881,442 -0.1,443 -0.128,445 -0.232,446 -0.097,447 1.061,448 0.412,449 2.428,450 0.587,451 -0.395,452 -0.532,454 -0.945,455 -0.388,456 1,457 -0.18,458 2.312,459 0.382,460 -0.618,461 -0.927,463 -1.478,464 -0.618,465 12.867,466 0.477,467 0.869,468 0.032,469 39.75,470 1.472,471 23.5,472 0.87,473 16.25,474 0.602,475 18.496,476 0.685,477 28.533,478 0.648,479 32.604,480 1.208,481 7.929,482 0.294,483 4.873,484 0.18,485 0.181,486 0.065,487 0.295,493 0.279,494 1.088,495 0.755,496 1.15,497 0.569,498 0.909,499 0.479,500 0.962,501 0.716,502 0.851,503 0.472,504 0.818,505 0.749,506 1.185,507 1.174,508 1.244,509 0.638,510 1.059,511 1.337,512 1.319,513 1.365,514 1.313,515 1.31,516 1.182,517 1.277,518 1.05,519 1.028,520 0.949,521 1.33,522 0.948,523 0.834,524 0.954,525 0.993,526 0.917,527 0.694,528 0.986,529 1.157,530 0.767,531 1.084,532 0.879,533 1.128,534 0.886,535 1.286,536 0.84,537 1.18,538 1.014,539 1.326,540 0.991,541 6.5,542 0.14,543 4.667,544 2.375,545 1.667,546 1.215,547 0.651,548 0.438,549 0.284,550 0.196,551 8317,552 27642,553 1.984,554 38.6,555 3,556 13,558 1,564 1.702,565 1.81,566 3.34,567 -0.696,569 1,573 77.263,574 1.756,575 3.351,576 4.181,577 4.845,578 5.061,579 5.152,580 2.732,581 4.459,582 4.731,583 3.508,584 1231.37,585 8.215,586 15739.6,588 1,590 1,591 240.215,592 1.698,593 4.65,594 0.224,595 0.007,596 0.111,597 0.052,598 0.042,599 0.035,600 0.02,601 0.015,602 0.011,603 0.008,604 0.523,605 0.17,606 1,607 0.834,608 133.346,609 0.3,610 0.059,611 0.22,612 -0.042,613 -0.08,614 0.008,615 0.292,616 0.109,617 0.164,618 0.135,619 0.249,620 0.105,621 0.01,622 -0.1,623 -0.1,624 -0.139,625 0.076,626 -0.102,627 -0.233,628 -0.316,629 -0.249,630 -0.245,631 -0.169,632 -0.225,633 -0.117,634 -0.036,635 0.02,636 0.004,637 -0.208,638 -0.001,639 0.313,640 0.101,641 0.003,642 0.006,643 0.389,644 -0.074,645 -0.09,646 0.194,647 0.017,648 0.146,649 -0.048,650 0.127,651 -0.207,652 0.062,653 -0.149,654 0.019,655 -0.145,656 0.024,657 4.935,658 5.802,659 0.593,660 21.849,661 1.02,662 1.117,663 3.916,664 15.339,665 0.7,666 3.401,667 3.761,668 4.025,669 4.205,670 4.407,671 4.407,672 4.394,673 4.394,674 4.394,675 4.331,676 6.273,677 0.677,678 383.46,679 3.401,680 4.963,681 5.82,682 6.708,683 7.585,684 8.476,685 9.358,686 10.25,687 11.133,688 12.026,689 6.8,692 1,698 1,700 1,703 2,704 10,709 4,711 17,725 1,731 44,733 22,734 3,735 29,737 46,738 19,739 16,740 6,741 10,742 1,746 3,747 4,752 1,761 17,762 2,766 5,768 1,769 1,771 4,773 1,774 1,778 1,781 17,782 6,784 8,785 1,790 3,794 0.667,795 4,812 3,816 1,840 2,842 1,844 2,848 27,852 1,859 1,870 9.1,873 2,876 2,877 14.917,878 8.6,879 5.861,880 2.408,881 4.075,882 1.572,883 0.982,884 5.154,885 11.204,886 3.773,887 4.454,888 5.029,889 5.584,890 6.137,891 6.427,892 6.726,893 7.009,894 7.271,895 7.346,896 0.857,897 46,898 10.288,900 4.752,901 8.164,902 18.388,904 15.013,905 2.664,906 71.917,909 1,910 200.109,911 142.663,912 23.729,914 95.06,916 5.807,917 136.856,918 295.169,919 23.729,920 22.892,922 100.57,923 65.131,924 33.884,926 188.338,927 50.747,928 200.109,929 160.585,930 95.06,931 5.807,933 200.109,934 44.313,935 50.747,937 26.884,938 118.983,939 20.525,941 200.109,942 118.789,943 142.663,945 5.807,946 200.109,947 15.825,948 128.098,950 111.723,951 200.109,952 118.789,953 142.663,955 0.597,956 0.356,957 0.175,958 0.094,959 20,960 10,961 0.109,962 5,963 1,964 1.125,965 3.721,966 229.058,967 0.125,968 16,969 122.382,973 1,974 18.869,975 7.374,976 3.785,977 1.961,978 113.119,979 17.093,984 0.749,987 461.561,988 42.5,990 -0.627,991 -4.018,993 47.532,995 1.465,996 4.059,999 44.876,1000 49.159,1001 0.322,1002 0.614,1003 0.766,1004 0.888,1005 0.927,1006 0.944,1007 5.012,1008 1.274,1009 5.861,1010 3.78,1011 4.443,1012 5.142,1013 2.501,1014 6.749,1015 4.387,1016 6.287,1017 1.235,1018 7.489,1019 3.049,1020 4.29,1021 5.286,1022 2.361,1023 8.057,1024 4.159,1025 7.656,1026 1.113,1027 9.239,1028 2.857,1029 6.159,1030 7.536,1031 4.154,1032 11.136,1033 6.015,1034 9.073,1035 0.921,1036 11.065,1037 2.784,1038 6.825,1039 8.488,1040 4.506,1041 13.291,1042 6.581,1043 10.525,1044 0.379,1045 12.94,1046 2.17,1047 8.247,1048 10.275,1049 5.948,1050 16.008,1051 7.977,1052 12.005,1053 -0.1,1054 14.85,1055 0.865,1056 9.251,1057 11.564,1058 6.556,1059 18.459,1060 8.878,1061 13.506,1062 -0.395,1063 16.787,1064 -0.232,1065 10.532,1066 13.191,1067 7.794,1068 21.091,1069 10.112,1070 3.535,1071 -0.618,1072 18.744,1073 -0.945,1074 11.674,1075 14.622,1076 8.548,1077 23.646,1078 11.155,1079 3.03,1080 13.729,1081 20.717,1082 -1.478,1083 12.917,1084 16.192,1085 9.67,1086 26.261,1087 12.332,1088 2.756,1089 10.196,1090 22.703,1091 4.803,1092 14.116,1093 17.686,1094 10.509,1095 28.854,1096 13.437,1097 2.329,1098 8.469,1099 24.699,1100 4.441,1101 15.353,1102 19.237,1103 11.563,1104 31.468,1105 14.596,1106 2.121,1107 7.144,1108 26.703,1109 3.917,1110 16.579,1111 20.76,1112 12.452,1113 34.075,1114 15.729,1115 1.632,1116 6.255,1117 28.714,1118 3.235,1119 17.82,1120 22.307,1121 13.468,1122 36.691,1123 16.885,1124 1.618,1125 4.414,1126 30.73,1127 2.995,1128 19.059,1129 23.844,1130 14.386,1131 39.305,1132 18.032,1133 8165,1134 15101,1135 18.493,1136 30.813,1137 44.434,1138 46.487,1139 46.098,1140 43.912,1141 43.887,1142 62.719,1143 5.225,1144 131.423,1145 42.8,1146 5.761,1147 6.741,1148 7.387,1149 5.517,1150 5.535,1151 7.803,1152 4.612,1153 21.878,1154 5.254,1155 15.85,1156 1.532,1157 1.603,1158 1.59,1159 1.514,1160 1.513,1161 2.163,1162 0.18,1163 4.532,1164 1.476,1165 4.132,1166 4.136,1167 4.742,1168 4.095,1169 7.815,1170 4.058,1171 4.062,1172 4.068,1173 4.039,1174 4.033,1175 7.715,1176 3.99,1177 3.788,1178 3.788,1179 3.881,1180 3.613,1181 6.999,1182 3.567,1183 3.513,1184 3.555,1185 3.447,1186 3.41,1187 6.999,1188 3.397,1189 3.459,1190 3.497,1191 3.404,1192 3.157,1193 4.932,1194 3.205,1195 3.242,1196 3.276,1197 3.191,1198 3.102,1199 4.648,1200 3.095,1201 3.069,1202 3.149,1203 2.901,1204 2.877,1205 4.585,1206 2.854,1207 3.005,1208 3.082,1209 2.8,1210 2.678,1211 4.294,1212 2.719,1213 0.171,1214 0.163,1215 0.265,1216 0.154,1217 0.122,1218 4.96,1219 0.166,1220 4.741,1221 0.09,1222 7.698,1223 0.473,1224 4.463,1225 0.112,1226 3.535,1227 4.803,1228 2.612,1229 13.729,1230 3.254,1231 2.078,1232 2.061,1233 2.158,1234 2.135,1235 1.295,1236 2.145,1237 1.99,1238 1.994,1239 2.02,1240 2.104,1241 1.233,1242 2.101,1243 1.581,1244 1.576,1245 1.695,1246 1.843,1247 0.789,1248 1.82,1249 1.482,1250 1.454,1251 1.63,1252 1.679,1253 0.706,1254 1.643,1255 1.319,1256 1.265,1257 1.565,1258 1.59,1259 0.612,1260 1.61,1261 1.184,1262 1.15,1263 1.367,1264 1.348,1265 0.428,1266 1.386,1267 1.061,1268 0.986,1269 1.15,1270 1.301,1271 0.415,1272 1.335,1273 0.907,1274 0.84,1275 1.113,1276 1.25,1277 0.117,1278 1.259,1279 4.078,1281 5.425,1283 6.978,1285 8.622,1287 10.313,1289 2.883,1300 0.82,1305 29.798,1306 77.263,1307 147.432,1308 183.976,1309 213.195,1310 222.705,1311 226.705,1312 67.486,1313 7.129,1314 95.56,1315 103.94,1316 18,1317 12.555,1318 4.524,1319 3.858,1320 46.975,1321 102,1322 87,1323 0.225,1324 189.07,1325 327.75,1326 453.09,1327 11898,1329 19.604,1330 0.726,1331 0.576,1332 19.854,1333 15.55,1334 12.803,1335 0.441,1336 0.328,1337 8.074,1338 11.493,1339 7.694,1340 6.446,1341 13.591,1342 9.502,1343 12.1,1344 0.288,1345 0.188,1346 13.443,1347 7.878,1348 10.099,1349 0.184,1350 0.109,1351 11.485,1352 5.977,1353 7.629,1354 0.116,1355 0.059,1356 8.675,1357 3.892,1358 6.062,1359 0.075,1360 0.032,1361 6.898,1362 2.604,1363 0.351,1364 88.692,1365 0.233,1366 25.77,1367 0.622,1368 142,1369 492.738,1370 196.73,1371 496.264,1372 660.9,1373 452,1374 168,1375 460.044,1376 230.214,1377 499.611,1378 720.52,1379 465,1380 5}
{0 CHEMBL428496,1 1.453,2 7.871,3 1.566,4 2.451,5 106.359,6 7.79,7 0.143,8 4.136,9 4.212,10 3.738,11 3.653,12 5.251,13 3.661,14 4.772,15 4.903,16 4.227,17 4.146,18 5.884,19 4.147,20 5.077,21 5.202,22 4.448,23 4.418,24 6.216,25 4.403,26 5.326,27 5.478,28 4.576,29 4.549,30 6.467,31 4.525,32 5.436,33 5.612,34 4.568,35 4.529,36 6.601,37 4.505,38 5.381,39 5.541,40 4.532,41 4.474,42 6.691,43 4.455,44 5.344,45 5.525,46 4.306,47 4.362,48 6.674,49 4.296,50 5.224,51 5.476,52 3.753,53 3.996,54 6.383,55 3.867,56 0.136,57 0.717,58 10.482,59 5.896,60 16.636,61 6.622,62 0.669,63 1.264,64 23.927,65 10.448,66 71.245,67 12.27,68 0.848,69 1.713,70 31.878,71 14.155,72 100.875,73 16.47,74 1.106,75 2.115,76 43.33,77 17.551,78 150.234,79 21.107,80 1.706,81 2.223,82 52.896,83 18.407,84 184.149,85 22.506,86 1.797,87 2.093,88 49.312,89 17.227,90 229.204,91 20.634,92 1.746,93 1.995,94 48.66,95 16.638,96 235.369,97 20.75,98 1.707,99 1.641,100 49.482,101 13.937,102 204.505,103 18.843,104 73,105 57,106 0.24,107 0.6,108 0.844,109 0.874,110 0.874,111 0.874,112 3.475,113 0.896,114 -2.82,115 -2.83,116 -2.74,119 41.8,120 3,121 3,122 1,123 2,124 1,125 1,127 2,136 2,143 2,151 1,152 1,156 1,157 1,158 2,172 11,174 2,175 12,183 15,186 2,187 17,195 15,198 2,199 19,207 11,211 4,212 19,220 11,223 6,224 13,232 10,236 6,237 14,245 5,249 3,250 7,262 2,263 3,275 1352,276 20.321,277 20.321,278 20.321,279 20.321,280 20.321,281 19.072,282 26.109,283 11.214,284 20.629,285 17.167,286 17.167,287 17.167,288 17.167,289 17.167,290 14.884,291 33.796,292 5.139,293 17.521,294 4.329,295 2.146,296 0.673,297 0.491,298 0.491,299 0.491,300 4.17,304 1,305 1,306 530,307 4.183,310 80.54,311 133.268,314 207.924,315 148.21,316 85.025,318 0.997,319 63.266,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 70,331 244,332 5.026,333 4.256,334 8.27,335 4.852,336 3.856,337 4.507,338 2.455,339 16.41,340 3.841,341 4.658,342 4.07,343 7.865,344 4.581,345 3.578,346 3.909,347 2.178,348 14.59,349 3.589,350 4.184,351 3.681,352 6.7,353 3.873,354 2.873,355 3.529,356 1.674,357 10.519,358 2.877,359 4.054,360 3.616,361 6.651,362 3.805,363 2.801,364 3.27,365 1.148,366 10.287,367 2.805,368 3.662,369 3.478,370 5.926,371 3.405,372 2.447,373 2.829,374 0.86,375 7.96,376 2.329,377 3.55,378 3.047,379 5.773,380 3.208,381 2.224,382 2.732,383 0.525,384 7.414,385 2.168,386 3.237,387 2.657,388 5.379,389 2.981,390 2.002,391 2.303,393 6.014,394 1.938,395 2.957,396 2.632,397 5.096,398 2.773,399 1.789,400 1.956,402 4.94,403 1.74,404 2.939,405 2.298,406 4.63,407 2.664,408 1.617,409 1.942,411 4.614,412 1.682,413 2.636,414 2.037,415 4.303,416 2.349,417 1.373,418 1.63,420 3.58,421 1.329,422 2.356,423 1.718,424 4.2,425 2.052,426 1.094,427 1.273,428 2.829,429 1.039,430 2.285,431 1.411,432 3.973,433 1.918,434 0.964,435 1.215,436 2.374,437 0.909,438 2.092,439 1.352,440 3.787,441 1.644,442 0.652,443 0.851,445 1.582,446 0.632,447 1.784,448 1.05,449 3.353,450 1.475,451 0.472,452 0.593,454 1.153,455 0.471,456 1.299,457 0.824,458 3.247,459 1.021,460 0.021,461 0.024,463 0.056,464 0.021,465 14.167,466 0.457,467 1.204,468 0.039,469 32,470 1.032,471 11.5,472 0.371,473 20.5,474 0.661,475 38.777,476 1.251,477 35.033,478 0.637,479 29.286,480 0.945,481 5.872,482 0.189,483 8.767,484 0.283,485 0.235,486 0.071,487 0.424,493 0.686,494 1.233,495 0.69,496 1.202,497 0.534,498 0.996,499 0.796,500 0.848,501 0.682,502 0.827,503 0.521,504 0.741,505 0.876,506 1.089,507 0.912,508 1.082,509 0.826,510 1.022,511 0.92,512 1.184,513 0.95,514 1.174,515 0.971,516 1.091,517 1.077,518 0.996,519 0.983,520 0.986,521 0.927,522 0.961,523 1.106,524 1.054,525 1.063,526 1.05,527 1.096,528 1.045,529 1.023,530 1.171,531 1.189,532 1.188,533 1.068,534 1.229,535 1.145,536 0.878,537 1.164,538 0.896,539 1.242,540 1.009,541 8.5,543 6,544 4.507,545 4.511,546 2.566,547 1.791,548 0.914,549 0.471,550 0.105,551 9451,552 29348,553 2.046,554 43.6,555 9,556 7,557 1,560 5,561 2,564 1.752,565 1.824,566 2.91,567 -0.735,568 1,569 1,573 79.894,574 1.453,575 3.635,576 5.108,577 5.29,578 5.29,579 5.29,580 2.319,581 4.825,582 4.927,583 3.05,584 1418.27,585 8.695,586 18276.9,588 1,590 1,591 317.975,592 1.807,593 4.828,594 0.243,596 0.105,597 0.065,598 0.06,599 0.036,600 0.026,601 0.018,602 0.019,603 0.009,604 0.581,605 0.33,606 0.88,607 1.174,608 151.608,609 -0.028,610 -0.069,611 0.063,612 -0.053,613 -0.015,614 0.016,615 0.032,616 0.231,617 0.188,618 0.243,619 0.075,620 0.26,621 -0.035,622 -0.009,623 -0.05,624 -0.013,625 -0.048,626 -0.031,627 -0.035,628 -0.149,629 -0.038,630 -0.143,631 -0.08,632 -0.102,633 -0.038,634 -0.014,635 0.006,636 -0.009,637 -0.034,638 0.008,639 -0.002,640 -0.066,641 -0.076,642 -0.073,643 0.004,644 -0.093,645 0.023,646 -0.203,647 -0.192,648 -0.223,649 0.045,650 -0.264,651 -0.068,653 -0.063,654 -0.003,655 -0.09,656 -0.026,657 2.248,658 6.699,659 0.613,660 21.948,661 1.022,662 1.121,663 1.594,664 2.54,665 0.65,666 3.584,667 4.06,668 4.489,669 4.92,670 5.293,671 5.598,672 5.855,673 6.098,674 6.258,675 6.356,676 4.985,677 0.637,678 428.47,679 3.584,680 5.22,681 6.163,682 7.148,683 8.123,684 9.117,685 10.103,686 11.1,687 12.092,688 13.09,704 1,707 1,709 3,711 5,716 1,721 1,731 55,733 10,735 35,737 59,738 23,739 4,742 4,746 5,747 18,752 3,753 2,754 2,755 5,756 1,758 5,761 10,762 13,763 1,766 5,771 4,775 6,778 1,780 1,781 24,782 8,784 8,794 0.2,795 8,811 2,812 3,815 3,816 2,817 1,824 1,829 1,832 2,839 1,840 1,844 4,848 31,854 4,856 3,858 3,860 2,870 14.5,873 4,874 1,875 3,877 17,878 11.417,879 6.514,880 3.438,881 1.567,882 1.177,883 0.933,884 4.419,885 10.399,886 3.773,887 4.373,888 4.972,889 5.562,890 6.074,891 6.542,892 6.922,893 7.319,894 7.61,895 7.826,896 1,897 69,898 11.797,900 5.646,901 8.065,902 21.81,904 19.612,905 2.565,906 79.5,910 282.506,911 104.135,914 143.087,917 104.135,918 425.593,920 37.359,921 12.196,922 11.739,923 136.229,924 44.249,925 17.22,926 270.735,928 282.506,929 104.135,930 143.087,933 258.964,934 155.629,935 11,937 38.672,938 65.463,941 282.506,942 143.087,943 104.135,946 282.506,947 55.037,948 49.098,950 143.087,951 282.506,952 143.087,953 104.135,955 0.611,956 0.382,957 0.227,958 0.139,959 33,960 16,961 0.068,962 4,963 5,964 1.474,965 3.657,966 342.184,967 0.526,968 18,969 153.58,974 20.657,975 6.632,976 2.506,978 143.087,979 1.254,982 5.618,984 0.751,987 529.728,988 42.5,993 51.214,997 -0.303,999 56.222,1000 61.658,1001 0.251,1002 0.629,1003 0.884,1004 0.915,1005 0.915,1006 0.915,1007 5.143,1008 1.789,1009 6.263,1010 6.014,1011 4.745,1012 5.059,1013 3.353,1014 7.318,1015 4.721,1016 6.405,1017 1.617,1018 7.987,1019 4.94,1020 4.796,1021 5.19,1022 2.778,1023 8.885,1024 4.792,1025 7.796,1026 1.373,1027 9.827,1028 4.614,1029 6.627,1030 7.241,1031 4.568,1032 12.103,1033 6.598,1034 9.223,1035 1.094,1036 11.739,1037 3.58,1038 7.474,1039 8.161,1040 4.726,1041 14.476,1042 7.465,1043 10.687,1044 0.964,1045 13.698,1046 2.829,1047 8.906,1048 9.793,1049 6.041,1050 17.342,1051 8.884,1052 12.178,1053 0.652,1054 15.69,1055 2.374,1056 10.054,1057 11.033,1058 6.546,1059 19.982,1060 10.042,1061 13.689,1062 0.472,1063 17.705,1064 1.582,1065 11.388,1066 12.543,1067 7.643,1068 22.769,1069 11.37,1070 3.856,1071 0.021,1072 19.738,1073 1.153,1074 12.646,1075 13.917,1076 8.325,1077 25.497,1078 12.631,1079 3.578,1080 16.41,1081 21.785,1082 0.056,1083 13.962,1084 15.396,1085 9.314,1086 28.269,1087 13.943,1088 2.873,1089 14.59,1090 23.842,1091 4.507,1092 15.26,1093 16.83,1094 10.091,1095 31.028,1096 15.241,1097 2.801,1098 10.519,1099 25.907,1100 3.909,1101 16.579,1102 18.306,1103 11.026,1104 33.801,1105 16.556,1106 2.447,1107 10.287,1108 27.979,1109 3.529,1110 17.895,1111 19.768,1112 11.854,1113 36.573,1114 17.87,1115 2.224,1116 7.96,1117 30.056,1118 3.27,1119 19.218,1120 21.249,1121 12.764,1122 39.35,1123 19.19,1124 2.002,1125 7.414,1126 32.137,1127 2.829,1128 20.542,1129 22.727,1130 13.619,1131 42.128,1132 20.511,1133 9184,1134 16255,1135 22.194,1136 35.773,1137 57.009,1138 59.586,1139 60.611,1140 55.545,1141 55.528,1142 65.128,1143 17.681,1144 188.643,1145 54.74,1146 6.016,1147 6.214,1148 8.03,1149 5.944,1150 5.856,1151 7.222,1152 4.234,1153 25.418,1154 5.841,1155 19.576,1156 1.629,1157 1.702,1158 1.732,1159 1.587,1160 1.587,1161 1.861,1162 0.505,1163 5.39,1164 1.564,1165 4.158,1166 4.164,1167 4.125,1168 4.07,1169 7.438,1170 4.08,1171 3.922,1172 3.936,1173 3.862,1174 3.808,1175 7.431,1176 3.818,1177 3.603,1178 3.618,1179 3.526,1180 3.415,1181 7.427,1182 3.434,1183 3.552,1184 3.573,1185 3.461,1186 3.315,1187 7.424,1188 3.341,1189 3.434,1190 3.453,1191 3.38,1192 3.245,1193 5.012,1194 3.272,1195 3.296,1196 3.349,1197 3.156,1198 3.125,1199 4.667,1200 3.112,1201 3.256,1202 3.314,1203 3.06,1204 3.001,1205 4.53,1206 3.007,1207 3.09,1208 3.149,1209 2.986,1210 2.849,1211 4.316,1212 2.857,1213 0.144,1214 0.122,1215 0.236,1216 0.139,1217 0.11,1218 5.026,1219 0.129,1220 4.256,1221 0.07,1222 8.27,1223 0.469,1224 4.852,1225 0.11,1226 3.856,1227 4.507,1228 2.455,1229 16.41,1230 3.841,1231 2.013,1232 2.002,1233 2.102,1234 2.105,1235 1.508,1236 2.101,1237 1.736,1238 1.714,1239 1.891,1240 1.89,1241 1.241,1242 1.885,1243 1.577,1244 1.539,1245 1.804,1246 1.761,1247 1.119,1248 1.77,1249 1.431,1250 1.399,1251 1.695,1252 1.703,1253 0.802,1254 1.69,1255 1.396,1256 1.387,1257 1.648,1258 1.645,1259 0.733,1260 1.639,1261 1.369,1262 1.331,1263 1.523,1264 1.628,1265 0.665,1266 1.59,1267 1.201,1268 1.151,1269 1.485,1270 1.43,1271 0.58,1272 1.437,1273 1.124,1274 1.046,1275 1.414,1276 1.367,1277 0.553,1278 1.404,1279 4.263,1281 5.7,1282 3.045,1283 7.352,1284 5.476,1285 9.12,1286 7.67,1287 10.959,1289 6.53,1295 1.279,1297 16.801,1299 -1.85,1301 -1.794,1305 35.04,1306 79.894,1307 199.933,1308 280.955,1309 290.955,1310 290.955,1311 290.955,1312 94.972,1313 8.832,1314 109.11,1315 109.11,1316 28,1317 13.551,1318 3.459,1319 3.087,1320 42.899,1321 92,1322 101,1323 0.239,1324 205.906,1325 385.6,1326 494.169,1327 78330,1329 22.292,1330 0.719,1331 0.578,1332 22.292,1333 17.904,1334 14.64,1335 0.418,1336 0.299,1337 10.265,1338 13.84,1339 9.923,1340 8.071,1341 14.64,1342 10.458,1343 14.642,1344 0.257,1345 0.163,1346 14.642,1347 9.296,1348 13.126,1349 0.149,1350 0.087,1351 13.126,1352 7.696,1353 12.066,1354 0.089,1355 0.046,1356 12.066,1357 6.282,1358 10.576,1359 0.053,1360 0.024,1361 10.576,1362 4.684,1363 0.346,1364 93.897,1365 0.212,1366 27.201,1367 0.769,1368 184,1369 613.884,1370 207.028,1371 558.107,1372 744.55,1373 520,1374 237,1375 530.364,1376 260.144,1377 527.271,1378 796.47,1379 494,1380 7.886}
{0 CHEMBL428690,1 1.621,2 9.179,3 3.058,4 9.351,5 107.239,6 8.372,7 0.387,8 3.998,9 4.081,10 3.643,11 3.551,12 5.185,13 3.547,14 4.526,15 4.657,16 4.068,17 3.981,18 5.672,19 3.964,20 4.86,21 5.01,22 4.257,23 4.182,24 6.024,25 4.146,26 4.993,27 5.169,28 4.32,29 4.174,30 6.329,31 4.136,32 4.957,33 5.122,34 4.179,35 4.12,36 6.224,37 4.086,38 4.873,39 5.039,40 4.168,41 4.068,42 6.187,43 4.031,44 4.776,45 4.936,46 4.086,47 3.998,48 6.148,49 3.954,50 4.756,51 4.918,52 3.985,53 3.903,54 6.093,55 3.826,56 0.15,57 0.625,58 8.515,59 4.62,60 23.107,61 5.139,62 0.27,63 1.055,64 16.568,65 7.705,66 29.558,67 9.058,68 0.531,69 1.357,70 27.094,71 11.206,72 68.163,73 13.079,74 1.093,75 1.46,76 36.08,77 12.755,78 133.607,79 15.517,80 1.022,81 1.382,82 34.357,83 11.916,84 133.424,85 13.411,86 0.905,87 1.309,88 30.036,89 10.934,90 121.366,91 12.641,92 0.696,93 1.213,94 25.512,95 9.96,96 115.959,97 11.638,98 0.931,99 1.116,100 29.706,101 9.737,102 118.433,103 10.744,104 37,105 46,106 0.275,107 0.664,108 0.835,109 0.897,110 0.911,111 0.911,112 3.376,113 0.908,114 -3.46,115 -3.44,116 -3.29,119 43.8,121 1,122 1,124 1,125 2,127 1,135 1,138 1,142 5,143 3,144 4,157 1,172 6,175 7,180 5,183 12,187 3,190 1,192 3,195 7,198 1,199 9,202 3,203 1,204 4,207 10,212 3,215 1,216 1,217 3,220 5,223 1,224 6,227 2,229 4,232 10,237 1,240 1,241 1,242 4,245 7,249 1,250 2,253 1,255 7,258 7,263 1,268 5,271 2,275 1194,276 18.499,277 18.499,278 18.499,279 18.499,280 18.499,281 16.626,282 20.975,283 10.547,284 18.887,285 15.261,286 15.261,287 15.261,288 15.261,289 15.261,290 12.373,291 26.694,292 4.972,293 15.985,294 3.964,295 1.681,296 0.674,297 0.307,298 0.224,299 0.224,300 4.066,301 1,304 1,305 1,306 553,307 2.449,311 286.945,315 111.001,318 1.217,319 47.636,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61.833,331 257,332 4.68,333 3.71,334 7.072,335 4.331,336 3.355,337 4.38,338 0.86,339 12.191,340 3.274,341 4.328,342 3.357,343 6.511,344 3.955,345 2.991,346 3.939,347 0.8,348 10.125,349 2.89,350 4.047,351 3.221,352 6.393,353 3.805,354 2.836,355 3.385,357 9.659,358 2.725,359 3.67,360 2.916,361 5.686,362 3.402,363 2.441,364 2.942,366 7.384,367 2.336,368 3.508,369 2.645,370 5.27,371 3.116,372 2.189,373 2.654,375 6.377,376 2.02,377 3.267,378 2.55,379 5.016,380 2.903,381 1.979,382 2.499,384 5.617,385 1.812,386 3.087,387 2.273,388 4.948,389 2.779,390 1.829,391 2.17,393 5.502,394 1.726,395 2.963,396 2.142,397 4.719,398 2.65,399 1.673,400 2.017,402 4.653,403 1.609,404 2.86,405 1.68,406 4.184,407 2.352,408 1.414,409 1.986,411 3.565,412 1.307,413 2.572,414 1.589,415 3.922,416 2.324,417 1.365,418 1.548,420 3.106,421 1.249,422 2.384,423 1.186,424 3.589,425 2.046,426 1.071,427 1.376,428 2.745,429 1.037,430 1.581,431 0.818,432 3.418,433 1.382,434 0.444,435 0.481,436 1.154,437 0.412,438 1.393,439 0.768,440 3.084,441 0.931,442 -0.013,443 -0.016,445 -0.035,446 -0.011,447 1.159,448 0.364,449 2.696,450 0.696,451 -0.252,452 -0.275,454 -0.615,455 -0.204,456 0.876,457 0.093,458 2.523,459 0.636,460 -0.275,461 -0.387,463 -0.689,464 -0.244,465 13.281,466 0.474,467 0.895,468 0.032,469 34.5,470 1.232,471 16.5,472 0.589,473 18,474 0.643,475 25.875,476 0.924,477 30.519,478 0.636,479 28.891,480 1.032,481 6.776,482 0.242,483 6.587,484 0.235,485 0.192,487 0.444,493 0.873,494 1.115,495 0.646,496 0.899,497 0.849,498 0.837,499 0.804,500 1.014,501 0.673,502 0.896,503 0.616,504 0.841,505 0.989,506 1.074,507 0.86,508 1.032,509 0.93,510 0.985,511 0.789,512 0.975,513 0.808,514 0.994,515 0.718,516 0.917,517 1.364,518 0.904,519 0.988,520 0.883,521 1.281,522 0.91,523 1.137,524 0.949,525 0.828,526 0.899,527 1.198,528 0.92,529 1.051,530 1.153,531 0.869,532 1.036,533 1.263,534 1.043,535 1.388,536 1.055,537 1.27,538 1.081,539 1.588,540 1.181,541 6,542 0.091,543 3.778,544 3.125,545 2.316,546 1.465,547 1.157,548 0.639,549 0.39,550 0.138,551 8277,552 25573,553 2.051,554 41.7,556 14,559 3,561 3,564 1.72,565 1.867,566 3.146,567 0.917,568 1,569 1,573 77.791,574 1.621,575 3.904,576 4.911,577 5.278,578 5.361,579 5.361,580 2.594,581 4.45,582 4.78,583 3.27,584 1236.14,585 8.363,586 15412.4,588 1,590 1,591 268.078,592 1.531,593 4.711,594 0.194,595 0.011,596 0.082,597 0.06,598 0.045,599 0.031,600 0.026,601 0.016,602 0.013,603 0.007,604 0.484,605 0.5,606 1,607 0.648,608 136.101,609 -0.119,610 0.009,611 -0.008,612 0.08,613 -0.13,614 0.069,615 -0.078,616 0.11,617 0.044,618 0.064,619 0.01,620 0.087,621 -0.076,622 -0.052,623 -0.007,624 -0.055,625 -0.074,626 -0.032,627 0.259,628 -0.015,629 0.142,630 -0.019,631 0.234,632 0.058,633 -0.134,634 0.049,635 -0.067,636 0.076,637 -0.115,638 0.031,639 -0.013,640 0.031,641 0.037,642 0.055,643 -0.015,644 0.024,645 -0.01,646 -0.153,647 -0.013,648 -0.08,649 0.021,650 -0.1,651 -0.137,652 -0.097,653 -0.182,654 -0.104,655 -0.207,656 -0.244,657 2.114,658 5.769,659 0.786,660 21.786,661 1.019,662 1.118,663 2.232,664 4.982,665 0.682,666 3.466,667 3.85,668 4.174,669 4.511,670 4.779,671 4.942,672 5.094,673 5.247,674 5.342,675 5.357,676 5.48,677 0.66,678 401.87,679 3.466,680 5.043,681 5.927,682 6.845,683 7.747,684 8.672,685 9.583,686 10.511,687 11.427,688 12.357,689 2.1,692 1,704 5,709 7,711 12,716 1,728 2,729 1,730 1,731 48,733 14,734 2,735 31,737 51,738 21,739 12,740 7,741 5,742 3,746 4,747 5,748 1,755 2,756 1,758 2,761 15,762 6,763 1,766 2,771 1,773 1,775 2,778 1,781 20,782 6,783 3,784 7,785 1,790 1,794 0.75,795 5,797 1,812 4,816 1,831 2,836 1,838 1,840 3,844 1,845 1,848 28,853 3,854 3,856 1,858 2,859 1,869 1,870 10.4,871 1,872 2,873 1,875 1,877 15,878 8.693,879 6,880 2.776,881 2.696,882 1.347,883 0.919,884 5.099,885 10.458,886 3.689,887 4.304,888 4.894,889 5.485,890 6.015,891 6.353,892 6.695,893 7.089,894 7.422,895 7.706,896 1,897 52,898 10.505,900 4.798,901 8.028,902 19.44,904 16.632,905 2.528,906 70.778,909 1,910 200.109,911 100.677,912 3.124,913 39.149,914 164.195,917 100.677,918 403.452,919 3.124,920 8.396,921 6.746,922 99.541,923 120.889,924 32.425,926 200.109,927 39.149,928 200.109,929 103.802,930 164.195,931 39.149,933 164.795,934 156.825,935 42.683,937 9.87,938 79.212,939 53.868,941 200.109,942 167.319,943 139.826,946 200.109,947 35.424,948 68.378,950 203.343,951 200.109,952 167.319,953 139.826,955 0.598,956 0.361,957 0.206,958 0.113,959 24,960 12,961 0.039,962 2,963 1,964 1.091,965 3.692,966 264.84,967 0.091,968 22,969 134.606,974 19.273,975 7.408,976 3.43,978 167.319,979 8.076,984 0.759,986 128.05,987 507.254,988 39,993 12.769,995 1.273,997 -0.214,999 48.898,1000 53.641,1001 0.29,1002 0.699,1003 0.879,1004 0.945,1005 0.96,1006 0.96,1007 4.977,1008 1.673,1009 5.953,1010 5.502,1011 4.533,1012 4.99,1013 1.235,1014 6.843,1015 4.444,1016 6.204,1017 1.414,1018 7.565,1019 4.653,1020 4.29,1021 4.924,1022 0.325,1023 7.892,1024 4.143,1025 7.535,1026 1.365,1027 9.276,1028 3.565,1029 6.201,1030 7.18,1031 0.938,1032 11.052,1033 6.053,1034 8.899,1035 1.071,1036 11.045,1037 3.106,1038 6.735,1039 7.9,1040 0.268,1041 12.926,1042 6.541,1043 10.295,1044 0.444,1045 12.851,1046 2.745,1047 8.171,1048 9.69,1049 0.732,1050 15.627,1051 7.973,1052 11.714,1053 -0.013,1054 14.684,1055 1.154,1056 9.061,1057 10.784,1058 0.188,1059 17.847,1060 8.828,1061 13.153,1062 -0.252,1063 16.536,1064 -0.035,1065 10.323,1066 12.385,1067 0.57,1068 20.393,1069 10.077,1070 3.355,1071 -0.275,1072 18.403,1073 -0.615,1074 11.373,1075 13.663,1076 0.125,1077 22.761,1078 11.099,1079 2.991,1080 12.191,1081 20.282,1082 -0.689,1083 12.574,1084 15.182,1085 0.438,1086 25.257,1087 12.283,1088 2.836,1089 10.125,1090 22.171,1091 4.38,1092 13.697,1093 16.55,1094 0.082,1095 27.69,1096 13.381,1097 2.441,1098 9.659,1099 24.069,1100 3.939,1101 14.881,1102 18.034,1103 0.334,1104 30.173,1105 14.544,1106 2.189,1107 7.384,1108 25.972,1109 3.385,1110 16.037,1111 19.447,1112 0.054,1113 32.636,1114 15.677,1115 1.979,1116 6.377,1117 27.882,1118 2.942,1119 17.219,1120 20.917,1121 0.252,1122 35.12,1123 16.838,1124 1.829,1125 5.617,1126 29.796,1127 2.654,1128 18.393,1129 22.355,1130 0.035,1131 37.597,1132 17.99,1133 8013,1134 14218,1135 20.115,1136 32.75,1137 47.97,1138 49.277,1139 50.464,1140 47.407,1141 47.178,1142 58.757,1143 3.32,1144 144.157,1145 44.794,1146 5.68,1147 5.71,1148 6.757,1149 5.432,1150 5.355,1151 7.38,1152 1.72,1153 19.814,1154 5.274,1155 16.158,1156 1.547,1157 1.59,1158 1.628,1159 1.529,1160 1.522,1161 1.895,1162 0.107,1163 4.65,1164 1.445,1165 4.063,1166 4.072,1167 4.071,1168 3.98,1169 7.428,1170 3.989,1171 3.892,1172 3.92,1173 3.94,1174 3.837,1175 6.492,1176 3.831,1177 3.777,1178 3.816,1179 3.692,1180 3.627,1181 6.449,1182 3.633,1183 3.456,1184 3.474,1185 3.42,1186 3.323,1187 6.444,1188 3.335,1189 3.254,1190 3.324,1191 3.285,1192 3.042,1193 4.967,1194 3.046,1195 3.148,1196 3.222,1197 3.115,1198 2.945,1199 4.699,1200 2.931,1201 2.997,1202 3.011,1203 2.961,1204 2.824,1205 4.34,1206 2.828,1207 2.88,1208 2.922,1209 2.886,1210 2.784,1211 4.3,1212 2.765,1213 0.151,1214 0.12,1215 0.228,1216 0.14,1217 0.108,1218 4.68,1219 0.141,1220 3.71,1221 0.028,1222 7.072,1223 0.393,1224 4.331,1225 0.106,1226 3.355,1227 4.38,1228 0.86,1229 12.191,1230 3.274,1231 1.991,1232 1.984,1233 2.077,1234 2.1,1235 1.426,1236 2.092,1237 1.885,1238 1.863,1239 1.993,1240 1.985,1241 1.128,1242 1.992,1243 1.734,1244 1.693,1245 1.869,1246 1.891,1247 1.029,1248 1.89,1249 1.403,1250 1.383,1251 1.587,1252 1.574,1253 0.781,1254 1.569,1255 1.226,1256 1.147,1257 1.501,1258 1.477,1259 0.712,1260 1.488,1261 1.145,1262 1.071,1263 1.472,1264 1.398,1265 0.562,1266 1.427,1267 0.911,1268 0.888,1269 1.176,1270 1.173,1271 0.38,1272 1.15,1273 0.868,1274 0.824,1275 1.124,1276 1.037,1277 0.18,1278 1.072,1279 4.143,1281 5.509,1283 7.083,1285 8.758,1287 10.486,1289 1.907,1290 6.246,1294 31.412,1295 1.726,1297 6.002,1299 -1.171,1300 1.992,1305 31.691,1306 77.791,1307 187.395,1308 235.714,1309 253.323,1310 257.323,1311 257.323,1312 75.75,1313 7.763,1314 94.14,1315 94.14,1316 24,1317 12.861,1318 3.907,1319 3.17,1320 41.985,1321 89,1322 100,1323 0.23,1324 194.325,1325 349.66,1326 465.914,1327 23209,1328 2.1,1329 19.999,1330 0.714,1331 0.571,1332 20.499,1333 15.979,1334 13.363,1335 0.431,1336 0.303,1337 8.911,1338 12.577,1339 8.688,1340 7.114,1341 13.652,1342 9.385,1343 12.703,1344 0.276,1345 0.166,1346 13.073,1347 7.619,1348 10.729,1349 0.168,1350 0.088,1351 11.087,1352 5.623,1353 9.774,1354 0.109,1355 0.046,1356 10.095,1357 4.129,1358 7.63,1359 0.065,1360 0.024,1361 7.839,1362 2.889,1363 0.344,1364 87.177,1365 0.223,1366 25.805,1367 0.687,1368 154,1369 479.769,1370 183.89,1371 486.378,1372 643.28,1373 450,1374 187,1375 441.866,1376 214.054,1377 455.072,1378 675.25,1379 428,1380 5}
{0 CHEMBL428873,1 1.475,2 9.194,3 0.837,4 0.7,5 130.897,6 7.065,8 4.365,9 4.465,10 3.874,11 3.846,12 5.418,13 3.833,14 5,15 5.161,16 4.337,17 4.337,18 6.029,19 4.308,20 5.337,21 5.507,22 4.547,23 4.614,24 6.393,25 4.561,26 5.549,27 5.742,28 4.684,29 4.732,30 6.584,31 4.678,32 5.661,33 5.842,34 4.811,35 4.758,36 6.862,37 4.732,38 5.676,39 5.843,40 4.796,41 4.764,42 6.962,43 4.74,44 5.709,45 5.891,46 4.642,47 4.751,48 6.975,49 4.676,50 5.716,51 5.974,52 4.289,53 4.586,54 6.764,55 4.446,56 0.111,57 0.961,58 16.091,59 7.433,60 20.716,61 9.34,62 0.613,63 1.663,64 33.003,65 12.876,66 65.631,67 16.913,68 0.785,69 2.248,70 46.669,71 18.173,72 108.285,73 23.95,74 0.881,75 2.625,76 59.162,77 21.685,78 125.972,79 28.998,80 1.753,81 2.759,82 68.425,83 22.279,84 209.062,85 29.531,86 1.975,87 2.785,88 69.788,89 21.935,90 269.163,91 28.586,92 2.043,93 2.838,94 72.417,95 23.045,96 296.733,97 30.723,98 1.925,99 2.646,100 76.367,101 21.99,102 259.759,103 31.699,104 90,105 63,106 0.233,107 0.552,108 0.805,109 0.866,110 0.866,111 0.866,112 3.617,113 0.959,114 -2.45,115 -2.48,116 -2.43,119 38,120 3,121 5,122 1,123 2,124 1,125 3,127 3,136 4,137 1,138 1,156 1,158 2,172 12,174 2,175 11,180 3,183 15,186 1,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 13,211 3,212 18,215 4,217 3,220 13,223 4,224 14,227 3,229 4,232 12,236 6,237 13,240 1,241 1,242 5,245 9,249 1,250 9,253 2,255 2,258 2,262 2,263 10,266 1,271 4,275 2176,276 23.597,277 23.597,278 23.597,279 23.597,280 23.597,281 22.555,282 30.585,283 13.283,284 24.094,285 19.63,286 19.63,287 19.63,288 19.63,289 19.63,290 17.729,291 37.307,292 6.141,293 20.337,294 4.675,295 2.653,296 1.046,297 0.662,298 0.662,299 0.662,300 4.31,305 1,306 714,307 4.359,310 130.499,311 181.623,314 99.351,315 201.55,318 1.438,319 70.944,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 80.5,331 331,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.171,351 3.65,352 6.696,353 3.838,354 2.858,355 3.406,356 1.148,357 10.49,358 2.806,359 4.015,360 3.56,361 6.588,362 3.789,363 2.789,364 3.184,365 0.86,366 10.006,367 2.779,368 3.733,369 3.461,370 5.947,371 3.476,372 2.538,373 2.905,374 0.8,375 8.08,376 2.375,377 3.568,378 2.905,379 5.766,380 3.325,381 2.372,382 2.73,383 0.525,384 7.356,385 2.242,386 3.475,387 2.849,388 5.362,389 3.176,390 2.21,391 2.524,393 6.773,394 2.117,395 3.2,396 2.596,397 5.309,398 2.977,399 2.001,400 2.223,402 5.906,403 1.932,404 2.933,405 2.373,406 5.086,407 2.77,408 1.787,409 1.926,411 4.939,412 1.736,413 2.658,414 2.093,415 4.624,416 2.578,417 1.617,418 1.649,420 4.605,421 1.544,422 2.576,423 1.843,424 4.282,425 2.296,426 1.345,427 1.487,428 3.488,429 1.269,430 2.444,431 1.733,432 4.127,433 2.229,434 1.245,435 1.372,436 3.008,437 1.216,438 2.128,439 1.65,440 3.834,441 1.949,442 1.041,443 1.075,445 2.335,446 0.934,447 2.036,448 1.28,449 3.792,450 1.618,451 0.655,452 0.804,454 1.547,455 0.615,456 1.821,457 1.162,458 3.343,459 1.591,460 0.618,461 0.642,463 1.372,464 0.6,465 16.567,466 0.46,467 1.31,468 0.036,469 32.5,470 0.903,471 9,472 0.25,473 23.5,474 0.653,475 52.469,476 1.457,477 42.233,478 0.595,479 31.838,480 0.884,481 5.768,482 0.16,483 11.266,484 0.313,485 0.221,486 0.06,487 0.386,493 0.782,494 1.355,495 0.821,496 1.248,497 0.68,498 1.075,499 0.806,500 0.978,501 0.798,502 0.93,503 0.54,504 0.865,505 0.84,506 1.125,507 0.938,508 1.125,509 0.721,510 1.063,511 0.914,512 1.13,513 0.885,514 1.125,515 0.923,516 1.021,517 1.133,518 1.06,519 0.935,520 1.028,521 1.086,522 0.951,523 1.364,524 1.066,525 1.13,526 1.052,527 1.463,528 1.037,529 1.254,530 1.186,531 1.28,532 1.213,533 1.377,534 1.25,535 1.14,536 0.951,537 1.114,538 0.952,539 1.168,540 1.017,541 9.5,542 0.164,543 6.222,544 4.951,545 4.941,546 3.232,547 2.31,548 1.237,549 0.618,550 0.306,551 14532,552 37972,553 2.023,554 49.3,555 9,556 12,557 1,559 2,560 3,561 8,564 1.789,565 1.815,566 3.115,567 0.176,573 104.725,574 1.475,575 3.497,576 5.104,577 5.487,578 5.487,579 5.487,580 2.654,581 4.892,582 5.139,583 3.302,584 2080.5,585 9.121,586 29788.4,591 436.632,592 1.791,593 5.049,594 0.237,595 0.008,596 0.099,597 0.066,598 0.059,599 0.035,600 0.026,601 0.017,602 0.013,603 0.009,604 0.57,605 0.33,606 0.75,607 1.107,608 186.445,609 -0.055,610 -0.073,611 0.046,612 -0.01,613 -0.054,614 0.033,615 0.027,616 0.187,617 0.125,618 0.186,619 0.074,620 0.183,621 -0.005,622 -0.002,623 -0.014,624 -0.018,625 0.022,626 -0.016,627 -0.024,628 -0.075,629 0.063,630 -0.062,631 -0.059,632 0.007,633 0.052,634 -0.045,635 0.075,636 -0.017,637 0.012,638 0.025,639 -0.05,640 -0.035,641 -0.1,642 -0.052,643 -0.051,644 -0.082,645 -0.039,646 -0.176,647 -0.266,648 -0.217,649 -0.034,650 -0.286,651 -0.077,652 -0.055,653 -0.093,654 -0.042,655 -0.071,656 -0.068,657 2.419,658 6.921,659 0.611,660 32.605,661 1.01,662 1.13,663 1.223,664 1.496,665 0.628,666 3.714,667 4.159,668 4.554,669 4.956,670 5.303,671 5.587,672 5.826,673 6.04,674 6.184,675 6.269,676 5.759,677 0.601,678 501.63,679 3.714,680 5.333,681 6.256,682 7.222,683 8.18,684 9.159,685 10.131,686 11.117,687 12.096,688 13.085,689 1.4,692 1,731 71,733 6,735 40,737 75,738 27,742 8,746 5,747 11,752 3,753 2,754 2,755 8,756 1,758 8,761 9,762 18,763 1,766 6,771 3,773 1,775 8,781 35,782 9,783 2,784 9,790 1,794 0.4,795 8,797 1,808 1,811 2,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 1,838 2,839 1,840 2,844 4,848 36,853 2,854 8,856 3,858 4,859 1,860 2,870 11.3,871 1,872 1,873 3,874 1,875 2,877 19.833,878 13.767,879 7.681,880 4.494,881 1.203,882 1.137,883 0.892,884 6.477,885 9.981,886 3.85,887 4.394,888 4.934,889 5.46,890 5.969,891 6.36,892 6.695,893 7.005,894 7.238,895 7.401,896 1,897 75,898 13.769,900 6.502,901 7.963,902 25.778,904 23.008,905 2.463,906 88.667,910 388.446,911 100.141,912 3.124,914 193.801,917 100.141,918 582.247,919 3.124,920 37.359,921 30.524,922 42.683,923 148.634,924 37.866,925 11.771,926 376.675,928 388.446,929 103.265,930 193.801,933 294.278,934 234.287,935 53.683,937 51.076,938 52.189,941 388.446,942 196.925,943 100.141,946 388.446,947 53.735,948 49.53,950 193.801,951 388.446,952 196.925,953 100.141,955 0.603,956 0.372,957 0.218,958 0.13,959 34,960 17,961 0.067,962 5,963 3,964 1.273,965 4.02,966 408.847,967 0.273,968 22,969 182.117,974 25.654,975 9.089,976 3.754,978 196.925,986 85.367,987 685.513,988 46,993 39.417,995 1.689,997 -0.919,999 71.741,1000 80.232,1001 0.24,1002 0.569,1003 0.83,1004 0.892,1005 0.892,1006 0.892,1007 5.22,1008 2.001,1009 6.34,1010 6.773,1011 4.844,1012 5.081,1013 3.096,1014 7.365,1015 4.789,1016 6.458,1017 1.787,1018 8.044,1019 5.906,1020 4.844,1021 5.165,1022 2.283,1023 8.894,1024 4.798,1025 7.836,1026 1.617,1027 9.868,1028 4.939,1029 6.688,1030 7.186,1031 4.235,1032 12.108,1033 6.61,1034 9.249,1035 1.345,1036 11.767,1037 4.605,1038 7.502,1039 8.062,1040 4.273,1041 14.469,1042 7.438,1043 10.702,1044 1.245,1045 13.716,1046 3.488,1047 8.932,1048 9.668,1049 5.712,1050 17.334,1051 8.851,1052 12.182,1053 1.041,1054 15.7,1055 3.008,1056 10.063,1057 10.868,1058 6.176,1059 19.971,1060 9.989,1061 13.684,1062 0.655,1063 17.71,1064 2.335,1065 11.392,1066 12.356,1067 7.348,1068 22.757,1069 11.308,1070 3.849,1071 0.618,1072 19.739,1073 1.547,1074 12.642,1075 13.698,1076 8.027,1077 25.483,1078 12.557,1079 3.575,1080 16.383,1081 21.783,1082 1.372,1083 13.954,1084 15.156,1085 9.063,1086 28.255,1087 13.862,1088 2.858,1089 14.589,1090 23.838,1091 4.407,1092 15.249,1093 16.562,1094 9.85,1095 31.012,1096 15.152,1097 2.789,1098 10.49,1099 25.902,1100 3.784,1101 16.564,1102 18.018,1103 10.818,1104 33.784,1105 16.461,1106 2.538,1107 10.006,1108 27.973,1109 3.406,1110 17.877,1111 19.457,1112 11.661,1113 36.554,1114 17.768,1115 2.372,1116 8.08,1117 30.05,1118 3.184,1119 19.198,1120 20.917,1121 12.594,1122 39.33,1123 19.082,1124 2.21,1125 7.356,1126 32.131,1127 2.905,1128 20.521,1129 22.372,1130 13.464,1131 42.107,1132 20.398,1133 14071,1134 22845,1135 25.372,1136 44.585,1137 63.42,1138 65.705,1139 67.528,1140 62.262,1141 62.251,1142 69.699,1143 14.924,1144 204.727,1145 60.266,1146 6.02,1147 6.182,1148 8.027,1149 5.936,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 22.86,1156 1.585,1157 1.643,1158 1.688,1159 1.557,1160 1.556,1161 1.742,1162 0.373,1163 5.118,1164 1.507,1165 4.13,1166 4.147,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.901,1172 3.943,1173 3.823,1174 3.785,1175 7.431,1176 3.789,1177 3.795,1178 3.843,1179 3.677,1180 3.65,1181 7.427,1182 3.647,1183 3.577,1184 3.594,1185 3.493,1186 3.366,1187 6.46,1188 3.385,1189 3.514,1190 3.533,1191 3.44,1192 3.29,1193 6.448,1194 3.317,1195 3.428,1196 3.45,1197 3.335,1198 3.258,1199 4.713,1200 3.273,1201 3.31,1202 3.368,1203 3.158,1204 3.136,1205 4.557,1206 3.126,1207 3.229,1208 3.296,1209 3.034,1210 2.991,1211 4.45,1212 2.992,1213 0.125,1214 0.106,1215 0.207,1216 0.121,1217 0.096,1218 5.02,1219 0.11,1220 4.232,1221 0.061,1222 8.266,1223 0.41,1224 4.842,1225 0.095,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.031,1232 2.021,1233 2.116,1234 2.126,1235 1.521,1236 2.12,1237 1.769,1238 1.743,1239 1.919,1240 1.919,1241 1.267,1242 1.916,1243 1.593,1244 1.544,1245 1.86,1246 1.777,1247 1.211,1248 1.793,1249 1.577,1250 1.507,1251 1.83,1252 1.751,1253 1.187,1254 1.793,1255 1.523,1256 1.466,1257 1.739,1258 1.746,1259 1.008,1260 1.749,1261 1.431,1262 1.397,1263 1.696,1264 1.703,1265 0.811,1266 1.691,1267 1.379,1268 1.343,1269 1.647,1270 1.638,1271 0.755,1272 1.64,1273 1.231,1274 1.178,1275 1.498,1276 1.468,1277 0.674,1278 1.471,1279 4.394,1281 5.808,1282 3.045,1283 7.432,1284 5.352,1285 9.175,1286 7.413,1287 10.993,1289 6.549,1294 22.375,1295 4.92,1297 17.18,1299 -2.677,1300 1.997,1301 -1.864,1305 42.695,1306 104.725,1307 248.268,1308 362.393,1309 389.612,1310 389.612,1311 389.612,1312 123.893,1313 8.778,1314 122.6,1315 122.6,1316 28,1317 13.552,1318 2.807,1319 2.807,1320 53.625,1321 121,1322 136,1323 0.22,1324 253.997,1325 479.34,1326 611.512,1327 74826,1329 25.991,1330 0.722,1331 0.593,1332 25.991,1333 21.335,1334 17.034,1335 0.426,1336 0.32,1337 12.568,1338 16.189,1339 12.185,1340 9.955,1341 17.034,1342 12.78,1343 16.646,1344 0.264,1345 0.177,1346 16.646,1347 11.171,1348 14.632,1349 0.156,1350 0.097,1351 14.632,1352 9.108,1353 13.027,1354 0.092,1355 0.052,1356 13.027,1357 7.326,1358 11.055,1359 0.055,1360 0.026,1361 11.055,1362 5.154,1363 0.324,1364 108.542,1365 0.199,1366 31.18,1367 0.689,1368 206,1369 622.358,1370 229.671,1371 571.585,1372 760.95,1373 532,1374 260,1375 538.131,1376 283.815,1377 537.899,1378 810.48,1379 504,1380 6.305}
{0 CHEMBL429577,1 1.458,2 11.634,3 1.561,4 2.437,5 155.62,6 6.607,8 4.538,9 4.655,10 3.981,11 3.986,12 5.56,13 3.958,14 5.164,15 5.355,16 4.41,17 4.441,18 6.142,19 4.398,20 5.479,21 5.668,22 4.654,23 4.739,24 6.49,25 4.68,26 5.721,27 5.92,28 4.788,29 4.906,30 6.706,31 4.828,32 5.893,33 6.118,34 4.9,35 4.937,36 6.984,37 4.873,38 5.861,39 6.059,40 4.896,41 4.932,42 7.061,43 4.881,44 5.887,45 6.08,46 4.79,47 4.945,48 7.098,49 4.852,50 5.938,51 6.202,52 4.557,53 4.842,54 6.95,55 4.699,56 0.062,57 1.173,58 20.953,59 8.765,60 18.687,61 11.806,62 0.615,63 1.944,64 40.982,65 14.38,66 63.918,67 20.28,68 0.788,69 2.61,70 56.168,71 20.345,72 101.492,73 28.192,74 0.695,75 3.143,76 71.402,77 25.726,78 111.914,79 35.942,80 1.766,81 3.379,82 87.906,83 26.862,84 212.068,85 38.668,86 1.94,87 3.316,88 85.761,89 25.759,90 263.358,91 36.301,92 2.016,93 3.378,94 87.53,95 27.582,96 293.652,97 38.676,98 1.846,99 3.248,100 92.467,101 26.89,102 255.62,103 40.074,104 183,105 67,106 0.221,107 0.5,108 0.756,109 0.85,110 0.864,111 0.864,112 3.742,113 1.013,114 -2.5,115 -2.53,116 -2.47,119 35.6,120 6,121 3,122 1,123 2,124 1,125 6,127 3,136 4,137 1,138 1,156 1,158 2,172 11,174 2,175 12,180 3,183 15,186 2,187 12,190 1,192 7,195 15,198 2,199 16,204 4,207 13,211 3,212 22,215 4,217 3,220 12,223 4,224 13,227 3,229 4,232 11,236 8,237 14,240 1,241 1,242 4,245 11,249 1,250 10,253 3,255 2,258 3,262 3,263 13,266 1,271 4,275 3342,276 26.915,277 26.915,278 26.915,279 26.915,280 26.915,281 25.873,282 36.638,283 15.163,284 27.636,285 21.362,286 21.362,287 21.362,288 21.362,289 21.362,290 19.461,291 45.325,292 6.747,293 22.296,294 4.985,295 3.15,296 1.467,297 0.845,298 0.75,299 0.75,300 4.423,305 1,306 993,307 5.431,310 75.331,311 228.256,314 125.56,315 252.644,318 1.741,319 74.111,322 0.75,323 0.5,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.71,330 91,331 477,332 5.02,333 4.232,334 8.266,335 4.842,336 3.849,337 4.407,338 2.455,339 16.383,340 3.82,341 4.617,342 3.781,343 7.865,344 4.567,345 3.575,346 3.784,347 1.674,348 14.589,349 3.543,350 4.17,351 3.65,352 6.696,353 3.836,354 2.854,355 3.406,356 1.148,357 10.489,358 2.805,359 4.015,360 3.56,361 6.588,362 3.788,363 2.789,364 3.184,365 0.86,366 10.006,367 2.778,368 3.73,369 3.461,370 5.946,371 3.475,372 2.544,373 2.902,374 0.8,375 8.071,376 2.367,377 3.568,378 2.911,379 5.765,380 3.379,381 2.44,382 2.73,383 0.8,384 7.349,385 2.275,386 3.507,387 2.868,388 5.364,389 3.195,390 2.255,391 2.536,392 0.525,393 6.858,394 2.127,395 3.334,396 2.708,397 5.349,398 3.151,399 2.202,400 2.364,402 6.351,403 2.054,404 3.166,405 2.567,406 5.17,407 2.967,408 1.992,409 2.18,411 5.875,412 1.924,413 2.918,414 2.372,415 5.081,416 2.764,417 1.784,418 1.911,420 4.939,421 1.73,422 2.656,423 2.09,424 4.624,425 2.578,426 1.617,427 1.648,428 4.604,429 1.544,430 2.489,431 1.842,432 4.282,433 2.269,434 1.314,435 1.422,436 3.488,437 1.243,438 2.433,439 1.72,440 4.121,441 2.045,442 1.115,443 1.289,445 2.755,446 1.022,447 2.112,448 1.609,449 3.824,450 1.796,451 0.835,452 0.911,454 1.737,455 0.799,456 1.843,457 1.237,458 3.761,459 1.675,460 0.72,461 0.805,463 1.483,464 0.673,465 18.967,466 0.463,467 1.378,468 0.034,469 35.25,470 0.86,471 9,472 0.22,473 26.25,474 0.64,475 65.15,476 1.589,477 49.433,478 0.568,479 36.69,480 0.895,481 6.411,482 0.156,483 12.969,484 0.316,485 0.272,486 0.053,487 0.359,493 0.799,494 1.532,495 0.903,496 1.37,497 0.704,498 1.186,499 0.87,500 1.003,501 0.836,502 0.922,503 0.558,504 0.865,505 0.909,506 1.033,507 0.944,508 1.049,509 0.749,510 1.001,511 0.906,512 1.27,513 0.963,514 1.258,515 0.929,516 1.145,517 1.064,518 1.012,519 0.888,520 0.972,521 1.011,522 0.904,523 1.341,524 1.013,525 1.082,526 1.002,527 1.42,528 0.987,529 1.251,530 1.222,531 1.261,532 1.256,533 1.417,534 1.267,535 1.124,536 0.995,537 1.045,538 0.982,539 1.191,540 0.999,541 11,542 0.37,543 6.889,544 5.229,545 5.306,546 3.504,547 2.514,548 1.45,549 0.898,550 0.603,551 20391,552 49551,553 1.94,554 52.9,555 9,556 18,557 1,559 2,560 3,561 13,564 1.817,565 1.732,566 3.406,567 0.137,573 126.872,574 1.458,575 3.293,576 4.976,577 5.598,578 5.693,579 5.693,580 2.911,581 5.095,582 5.321,583 3.624,584 2971.27,585 9.474,586 47291.7,591 560.536,592 1.786,593 5.226,594 0.25,595 0.009,596 0.103,597 0.062,598 0.058,599 0.035,600 0.025,601 0.017,602 0.014,603 0.011,604 0.584,605 0.33,606 0.63,607 1.818,608 224.267,609 -0.041,610 -0.169,611 0.046,612 -0.067,613 -0.061,614 -0.005,615 0.025,616 0.192,617 0.145,618 0.192,619 0.077,620 0.199,621 -0.008,622 0.144,623 0.032,624 0.079,625 0.03,626 0.071,627 -0.013,628 -0.161,629 0.004,630 -0.14,631 -0.052,632 -0.076,633 0.084,634 -0.005,635 0.132,636 0.027,637 0.048,638 0.082,639 -0.016,640 0.035,641 -0.028,642 0.009,643 -0.003,644 -0.006,645 0.009,646 -0.175,647 -0.226,648 -0.215,649 -0.007,650 -0.265,651 -0.037,652 -0.082,653 -0.04,654 -0.048,655 -0.052,656 -0.047,657 2.462,658 7.126,659 0.415,660 45.989,661 1.003,662 1.136,663 1.269,664 1.61,665 0.614,666 3.807,667 4.22,668 4.595,669 4.963,670 5.323,671 5.602,672 5.826,673 6.035,674 6.184,675 6.269,676 6.879,677 0.579,678 574.79,679 3.807,680 5.407,681 6.315,682 7.268,683 8.216,684 9.186,685 10.152,686 11.131,687 12.107,688 13.092,689 2.3,692 2,731 87,733 6,735 44,737 90,738 31,742 8,746 4,747 10,752 6,753 2,754 2,755 6,756 1,758 6,761 9,762 22,763 1,766 6,771 3,773 1,775 8,781 46,782 10,783 2,784 10,790 2,794 0.25,795 8,797 1,811 1,812 3,815 1,816 2,824 1,829 2,831 1,832 4,836 2,838 2,839 1,840 1,844 7,848 41,853 2,854 9,856 3,858 4,859 2,860 2,870 9.2,871 1,872 1,873 3,874 1,875 2,877 23.667,878 17.467,879 9.181,880 5.794,881 1.213,882 1.138,883 0.875,884 9.568,885 10.037,886 3.932,887 4.443,888 4.963,889 5.464,890 5.976,891 6.363,892 6.687,893 6.998,894 7.237,895 7.398,896 0.875,897 84,898 15.64,900 7.075,901 7.894,902 29.423,904 25.139,905 2.394,906 98.167,910 517.928,911 127.865,912 6.249,914 193.801,917 127.865,918 711.73,919 6.249,920 63.834,921 31.772,922 42.683,923 148.634,924 40.991,925 11.771,926 506.157,928 517.928,929 134.113,930 193.801,933 364.904,934 293.142,935 53.683,937 81.924,938 52.189,941 517.928,942 200.05,943 127.865,946 517.928,947 54.983,948 79.13,950 193.801,951 517.928,952 200.05,953 127.865,955 0.591,956 0.369,957 0.205,958 0.124,959 32,960 18,961 0.122,962 11,963 3,964 1.353,965 4.308,966 463.986,967 0.353,968 17,969 215.66,974 31.9,975 12.297,976 5.335,978 200.05,986 85.367,987 845.843,988 50,993 40.052,995 1.685,997 -1.065,999 87.261,1000 98.806,1001 0.226,1002 0.511,1003 0.772,1004 0.869,1005 0.884,1006 0.884,1007 5.283,1008 2.202,1009 6.392,1010 6.858,1011 4.905,1012 5.13,1013 3.138,1014 7.399,1015 4.839,1016 6.51,1017 1.992,1018 8.088,1019 6.351,1020 4.89,1021 5.198,1022 2.321,1023 8.916,1024 4.834,1025 7.879,1026 1.784,1027 9.904,1028 5.875,1029 6.732,1030 7.213,1031 4.242,1032 12.119,1033 6.639,1034 9.285,1035 1.617,1036 11.795,1037 4.939,1038 7.529,1039 8.077,1040 4.278,1041 14.473,1042 7.455,1043 10.73,1044 1.314,1045 13.737,1046 4.604,1047 8.956,1048 9.68,1049 5.713,1050 17.336,1051 8.863,1052 12.204,1053 1.115,1054 15.716,1055 3.488,1056 10.077,1057 10.874,1058 6.177,1059 19.972,1060 9.996,1061 13.701,1062 0.835,1063 17.721,1064 2.755,1065 11.403,1066 12.36,1067 7.348,1068 22.757,1069 11.312,1070 3.849,1071 0.72,1072 19.747,1073 1.737,1074 12.648,1075 13.7,1076 8.027,1077 25.483,1078 12.56,1079 3.575,1080 16.383,1081 21.788,1082 1.483,1083 13.959,1084 15.157,1085 9.063,1086 28.255,1087 13.864,1088 2.854,1089 14.589,1090 23.841,1091 4.407,1092 15.251,1093 16.563,1094 9.85,1095 31.012,1096 15.153,1097 2.789,1098 10.489,1099 25.904,1100 3.784,1101 16.566,1102 18.018,1103 10.818,1104 33.784,1105 16.461,1106 2.544,1107 10.006,1108 27.975,1109 3.406,1110 17.878,1111 19.457,1112 11.661,1113 36.554,1114 17.768,1115 2.44,1116 8.071,1117 30.051,1118 3.184,1119 19.199,1120 20.917,1121 12.594,1122 39.33,1123 19.082,1124 2.255,1125 7.349,1126 32.131,1127 2.902,1128 20.521,1129 22.372,1130 13.464,1131 42.107,1132 20.398,1133 20522,1134 32200,1135 27.164,1136 53.398,1137 67.854,1138 70.402,1139 74.941,1140 66.763,1141 66.758,1142 74.216,1143 16.524,1144 215.337,1145 64.294,1146 6.02,1147 6.18,1148 8.027,1149 5.934,1150 5.849,1151 7.171,1152 4.234,1153 25.386,1154 5.82,1155 29.609,1156 1.542,1157 1.6,1158 1.703,1159 1.517,1160 1.517,1161 1.687,1162 0.376,1163 4.894,1164 1.461,1165 4.13,1166 4.147,1167 4.083,1168 4.052,1169 7.437,1170 4.056,1171 3.888,1172 3.922,1173 3.815,1174 3.777,1175 7.431,1176 3.781,1177 3.774,1178 3.842,1179 3.649,1180 3.585,1181 7.427,1182 3.59,1183 3.616,1184 3.684,1185 3.511,1186 3.436,1187 6.46,1188 3.441,1189 3.564,1190 3.589,1191 3.46,1192 3.329,1193 6.448,1194 3.349,1195 3.513,1196 3.532,1197 3.427,1198 3.289,1199 4.714,1200 3.317,1201 3.387,1202 3.424,1203 3.266,1204 3.212,1205 4.557,1206 3.215,1207 3.309,1208 3.407,1209 3.157,1210 3.132,1211 4.444,1212 3.121,1213 0.114,1214 0.096,1215 0.188,1216 0.11,1217 0.087,1218 5.02,1219 0.1,1220 4.232,1221 0.056,1222 8.266,1223 0.372,1224 4.842,1225 0.087,1226 3.849,1227 4.407,1228 2.455,1229 16.383,1230 3.82,1231 2.032,1232 2.021,1233 2.116,1234 2.127,1235 1.521,1236 2.121,1237 1.787,1238 1.752,1239 1.979,1240 1.976,1241 1.274,1242 1.981,1243 1.714,1244 1.646,1245 1.916,1246 1.904,1247 1.233,1248 1.907,1249 1.598,1250 1.542,1251 1.855,1252 1.805,1253 1.186,1254 1.824,1255 1.564,1256 1.495,1257 1.825,1258 1.765,1259 1.06,1260 1.784,1261 1.434,1262 1.401,1263 1.725,1264 1.704,1265 0.869,1266 1.692,1267 1.398,1268 1.358,1269 1.696,1270 1.655,1271 0.852,1272 1.655,1273 1.351,1274 1.268,1275 1.66,1276 1.584,1277 0.815,1278 1.638,1279 4.489,1281 5.878,1282 2.398,1283 7.485,1284 4.844,1285 9.213,1286 7.034,1287 11.019,1289 12.725,1294 22.661,1295 5.17,1297 17.379,1299 -2.768,1300 4.255,1301 -1.927,1305 50.351,1306 126.872,1307 286.478,1308 432.939,1309 486.987,1310 495.252,1311 495.252,1312 170.555,1313 8.823,1314 125.84,1315 125.84,1316 23,1317 13.561,1318 2.807,1319 2.807,1320 75.357,1321 162,1322 217,1323 0.228,1324 306.554,1325 571.9,1326 739.751,1327 80017,1329 30.275,1330 0.738,1331 0.622,1332 30.275,1333 25.489,1334 19.38,1335 0.44,1336 0.338,1337 14.607,1338 18.405,1339 14.054,1340 11.607,1341 19.38,1342 14.85,1343 18.03,1344 0.269,1345 0.18,1346 18.03,1347 12.084,1348 15.872,1349 0.162,1350 0.102,1351 15.872,1352 9.972,1353 13.438,1354 0.095,1355 0.053,1356 13.438,1357 7.579,1358 11.496,1359 0.056,1360 0.026,1361 11.496,1362 5.383,1363 0.343,1364 123.231,1365 0.192,1366 35.143,1367 0.68,1368 222,1369 658.003,1370 247.752,1371 605.27,1372 805.39,1373 564,1374 276,1375 568.244,1376 301.841,1377 567.758,1378 852.08,1379 532,1380 7.62}
{0 CHEMBL435507,1 1.457,2 7.864,3 3.11,4 9.671,5 84.397,6 7.573,7 0.44,8 3.787,9 3.88,10 3.387,11 3.354,12 4.852,13 3.344,14 4.352,15 4.496,16 3.775,17 3.753,18 5.398,19 3.735,20 4.617,21 4.792,22 3.857,23 3.896,24 5.645,25 3.857,26 4.618,27 4.807,28 3.758,29 3.844,30 5.684,31 3.779,32 4.552,33 4.763,34 3.626,35 3.743,36 5.558,37 3.665,38 4.406,39 4.603,40 3.476,41 3.604,42 5.484,43 3.538,44 4.252,45 4.43,46 3.333,47 3.523,48 5.393,49 3.433,50 4.215,51 4.439,52 2.99,53 3.421,54 5.105,55 3.261,56 0.013,57 0.517,58 7.642,59 3.797,60 4.808,61 4.597,62 0.191,63 0.889,64 15.479,65 6.31,66 15.909,67 7.748,68 0.342,69 1.113,70 21.881,71 8.272,72 28.268,73 10.174,74 0.404,75 1.096,76 22.321,77 8.518,78 40.117,79 10.786,80 0.346,81 1.01,82 21.58,83 8.242,84 33.045,85 10.663,86 0.287,87 0.879,88 18.489,89 6.766,90 38.808,91 8.403,92 0.268,93 0.769,94 14.927,95 5.986,96 38.03,97 7.559,98 0.142,99 0.732,100 14.965,101 6.257,102 26.634,103 8.326,104 5,105 36,106 0.259,107 0.609,108 0.77,109 0.85,110 0.881,111 0.89,112 3.149,113 0.905,114 -3.56,115 -3.53,116 -3.37,119 46.2,120 1,125 3,127 1,135 1,139 1,142 6,143 3,144 1,157 1,172 9,174 1,175 7,183 12,186 1,187 5,195 10,198 2,199 7,207 7,211 1,212 8,220 5,224 5,232 2,236 1,237 5,245 3,250 3,258 3,263 3,271 3,275 548,276 15.085,277 15.085,278 15.085,279 15.085,280 15.085,281 13.523,282 14.337,283 8.82,284 15.419,285 12.364,286 12.364,287 12.364,288 12.364,289 12.364,290 9.9,291 18.498,292 4.201,293 12.907,294 3.828,295 1.856,296 0.949,297 0.5,298 0.327,299 0.276,300 3.85,303 1,304 1,305 1,306 385,307 2,311 174.265,315 133.496,318 1.161,319 20.509,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 173,332 4.634,333 3.644,334 6.814,335 4.212,336 3.235,337 4.531,338 1.138,339 11.271,340 3.17,341 4.15,342 3.21,343 6.182,344 3.779,345 2.84,346 3.632,347 0.86,348 9.201,349 2.704,350 3.831,351 3.053,352 5.964,353 3.555,354 2.562,355 3.082,356 0.643,357 8.307,358 2.495,359 3.346,360 2.705,361 5.103,362 3.113,363 2.195,364 2.656,366 6.076,367 2.001,368 3.328,369 2.3,370 5.048,371 2.9,372 1.918,373 2.401,375 5.763,376 1.872,377 3.048,378 1.8,379 4.391,380 2.584,381 1.581,382 2.239,384 4.141,385 1.582,386 2.772,387 1.648,388 4.191,389 2.37,390 1.414,391 1.837,393 3.633,394 1.35,395 2.53,396 1.54,397 3.616,398 2.23,399 1.242,400 1.502,402 2.894,403 1.213,404 2.326,405 1.385,406 3.499,407 2.002,408 1.1,409 1.244,411 2.543,412 0.983,413 2.125,414 1.014,415 3.426,416 1.796,417 0.815,418 1.078,420 1.981,421 0.795,422 1.442,423 0.558,424 2.843,425 0.925,426 -0.057,427 -0.077,428 -0.152,429 -0.055,430 1.003,431 -0.043,432 2.71,433 0.587,434 -0.381,435 -0.405,436 -0.883,437 -0.36,438 0.883,439 -0.136,440 2.364,441 0.521,442 -0.419,443 -0.518,445 -1.079,446 -0.398,447 0.611,448 -0.354,449 2.311,450 0.425,451 -0.594,452 -0.788,454 -1.5,455 -0.601,456 0.522,457 -0.483,458 2,459 0.224,460 -0.729,461 -0.911,463 -1.965,464 -0.686,465 10.4,466 0.473,467 0.538,468 0.024,469 28,470 1.273,471 13.5,472 0.614,473 14.5,474 0.659,475 16.78,476 0.763,477 23.2,478 0.595,479 19.315,480 0.878,481 5.555,482 0.253,483 5.165,484 0.235,485 0.08,487 0.375,493 0.75,494 1.235,495 0.725,496 1.083,497 0.589,498 0.93,499 1.07,500 0.998,501 0.865,502 0.924,503 0.663,504 0.86,505 1.313,506 0.934,507 1.001,508 0.894,509 0.947,510 0.888,511 1.082,512 0.998,513 1.021,514 1.005,515 0.937,516 1.001,517 1.006,518 0.978,519 0.922,520 0.949,521 1.012,522 0.93,523 1.428,524 0.97,525 1.112,526 0.922,527 1.925,528 0.954,529 1.006,530 1.105,531 1.211,532 1.157,533 1.757,534 1.206,535 0.758,536 1.152,537 1.216,538 1.264,539 1.157,540 1.316,541 4,542 0.012,543 2.667,544 1.375,545 1.533,546 0.854,547 0.389,548 0.224,549 0.123,550 0.057,551 4781,552 11750,553 2.176,554 43.6,556 14,561 3,564 1.65,565 2.063,566 3.009,567 -0.807,568 1,569 1,571 1,573 56.83,574 1.457,575 3.429,576 4.336,577 4.785,578 4.958,579 5.01,580 2.444,581 3.88,582 4.434,583 3.104,584 717.135,585 7.64,586 7555.92,587 1,588 1,589 1,590 1,591 206.131,592 1.322,593 4.403,594 0.16,595 0.006,596 0.074,597 0.036,598 0.046,599 0.029,600 0.016,601 0.011,602 0.009,603 0.007,604 0.394,605 0.83,606 1,607 0.517,608 98.586,609 -0.009,610 -0.158,611 0.078,612 -0.074,613 -0.04,615 -0.04,616 0.072,617 0.042,618 0.04,619 0.013,620 0.056,621 -0.123,622 0.084,623 -0.03,624 0.063,625 -0.048,626 0.039,627 0.041,628 -0.011,629 -0.041,630 -0.041,631 0.069,632 -0.053,633 0.045,634 -0.03,635 0.076,636 0.028,637 0.019,638 0.051,639 -0.21,640 0.01,641 -0.109,642 0.034,643 -0.214,644 -0.011,645 -0.004,646 -0.109,647 -0.271,648 -0.185,649 -0.071,650 -0.257,651 -0.065,652 -0.216,653 -0.274,654 -0.268,655 -0.161,656 -0.301,657 1.666,658 5.449,659 0.909,660 14.083,661 1.004,662 1.114,663 2.326,664 5.413,665 0.678,666 3.258,667 3.611,668 3.932,669 4.248,670 4.554,671 4.654,672 4.828,673 4.956,674 5.1,675 5.043,676 4.851,677 0.651,678 295.36,679 3.258,680 4.812,681 5.687,682 6.586,683 7.479,684 8.385,685 9.286,686 10.194,687 11.099,688 12.009,689 2.6,692 1,703 2,704 6,709 2,711 11,716 1,729 1,731 39,733 13,734 2,735 25,737 42,738 18,739 10,740 4,741 6,742 3,746 4,747 7,752 1,755 1,758 1,761 13,762 5,766 2,771 1,773 1,775 2,777 1,778 1,781 17,782 4,784 4,790 1,794 0.5,795 3,812 4,816 2,831 1,836 1,839 1,840 2,844 1,848 22,854 3,856 2,858 1,859 1,870 7.7,873 1,874 1,875 1,877 10.667,878 7.367,879 4.722,880 2.458,881 2.827,882 1.38,883 1.014,884 3.304,885 10.262,886 3.512,887 4.119,888 4.749,889 5.367,890 5.982,891 6.356,892 6.805,893 7.208,894 7.608,895 7.662,896 1,897 38,898 8.175,900 3.578,901 7.674,902 15.774,904 13.395,905 2.174,906 47.833,910 200.109,911 107.486,912 3.124,914 47.145,917 107.486,918 247.253,919 3.124,920 8.825,921 8.804,922 66.334,923 41.278,924 32.514,926 200.109,928 200.109,929 110.61,930 47.145,933 164.795,934 71.458,935 11,937 20.753,938 80.38,939 9.476,941 200.109,942 50.269,943 107.486,946 200.109,947 32.327,948 78.283,950 47.145,951 200.109,952 50.269,953 107.486,955 0.587,956 0.35,957 0.199,958 0.115,959 20,960 8,961 0.024,962 1,963 2,964 1.2,965 3.396,966 186.574,967 0.2,968 20,969 98.107,974 13.648,975 5.325,976 2.391,977 2.047,978 50.269,979 11.774,984 1.295,987 357.863,988 32.5,993 12.449,995 1.592,997 0.63,999 39.153,1000 43.448,1001 0.276,1002 0.649,1003 0.82,1004 0.905,1005 0.938,1006 0.948,1007 4.769,1008 1.242,1009 5.68,1010 3.633,1011 4.29,1012 4.804,1013 1.724,1014 6.526,1015 4.214,1016 5.974,1017 1.1,1018 7.256,1019 2.894,1020 3.892,1021 4.649,1022 0.325,1023 7.476,1024 3.795,1025 7.291,1026 0.815,1027 8.934,1028 2.543,1029 5.911,1030 7.029,1031 1.676,1032 10.617,1033 5.77,1034 8.643,1035 -0.057,1036 10.672,1037 1.981,1038 6.33,1039 7.737,1040 0.424,1041 12.402,1042 6.175,1043 10.031,1044 -0.381,1045 12.449,1046 -0.152,1047 7.825,1048 9.603,1049 1.733,1050 15.061,1051 7.634,1052 11.444,1053 -0.419,1054 14.252,1055 -0.883,1056 8.633,1057 10.73,1058 0.581,1059 17.196,1060 8.43,1061 12.879,1062 -0.594,1063 16.075,1064 -1.079,1065 9.914,1066 12.382,1067 1.843,1068 19.688,1069 9.682,1070 3.235,1071 -0.729,1072 17.913,1073 -1.5,1074 10.907,1075 13.711,1076 0.788,1077 21.975,1078 10.662,1079 2.84,1080 11.271,1081 19.762,1082 -1.965,1083 12.103,1084 15.274,1085 1.986,1086 24.41,1087 11.834,1088 2.562,1089 9.201,1090 21.62,1091 4.531,1092 13.182,1093 16.699,1094 1.027,1095 26.766,1096 12.899,1097 2.195,1098 8.307,1099 23.486,1100 3.632,1101 14.348,1102 18.227,1103 2.153,1104 29.184,1105 14.045,1106 1.918,1107 6.076,1108 25.358,1109 3.082,1110 15.469,1111 19.696,1112 1.284,1113 31.571,1114 15.151,1115 1.581,1116 5.763,1117 27.236,1118 2.656,1119 16.626,1120 21.21,1121 2.337,1122 33.985,1123 16.29,1124 1.414,1125 4.141,1126 29.118,1127 2.401,1128 17.768,1129 22.7,1130 1.553,1131 36.388,1132 17.415,1133 4503,1134 7163,1135 17.107,1136 26.46,1137 38.467,1138 39.523,1139 38.869,1140 37.8,1141 37.807,1142 48.407,1143 5.281,1144 111.622,1145 36.329,1146 5.634,1147 5.644,1148 6.498,1149 5.318,1150 5.235,1151 7.531,1152 2.22,1153 18.666,1154 5.17,1155 7.987,1156 1.539,1157 1.581,1158 1.555,1159 1.512,1160 1.512,1161 1.936,1162 0.211,1163 4.465,1164 1.453,1165 4.115,1166 4.127,1167 4.081,1168 4.061,1169 7.428,1170 4.063,1171 3.835,1172 3.881,1173 3.749,1174 3.658,1175 4.954,1176 3.675,1177 3.632,1178 3.65,1179 3.555,1180 3.5,1181 4.672,1182 3.506,1183 3.327,1184 3.391,1185 3.214,1186 3.207,1187 4.537,1188 3.202,1189 3.238,1190 3.303,1191 3.036,1192 3.079,1193 4.202,1194 3.057,1195 2.988,1196 3.042,1197 2.908,1198 2.892,1199 3.837,1200 2.886,1201 2.953,1202 2.995,1203 2.848,1204 2.706,1205 3.77,1206 2.728,1207 2.726,1208 2.786,1209 2.521,1210 2.538,1211 3.58,1212 2.517,1213 0.185,1214 0.146,1215 0.273,1216 0.168,1217 0.129,1218 4.634,1219 0.181,1220 3.644,1221 0.046,1222 6.814,1223 0.451,1224 4.212,1225 0.127,1226 3.235,1227 4.531,1228 1.138,1229 11.271,1230 3.17,1231 2.081,1232 2.07,1233 2.15,1234 2.149,1235 1.301,1236 2.148,1237 1.768,1238 1.724,1239 1.959,1240 1.982,1241 1.231,1242 1.977,1243 1.592,1244 1.567,1245 1.73,1246 1.741,1247 0.905,1248 1.734,1249 1.336,1250 1.279,1251 1.639,1252 1.531,1253 0.784,1254 1.573,1255 1.251,1256 1.187,1257 1.466,1258 1.423,1259 0.567,1260 1.442,1261 0.993,1262 0.95,1263 1.294,1264 1.197,1265 0.44,1266 1.229,1267 0.892,1268 0.818,1269 1.188,1270 1.116,1271 0.289,1272 1.136,1273 0.706,1274 0.651,1275 0.955,1276 0.958,1277 0.108,1278 0.949,1279 3.932,1281 5.273,1283 6.832,1285 8.492,1287 10.204,1289 2.028,1295 2.126,1297 11.67,1299 0.141,1300 2.08,1305 25.38,1306 56.83,1307 133.75,1308 169.111,1309 186.621,1310 193.376,1311 195.376,1312 31.015,1313 7.434,1314 42.68,1315 42.68,1316 24,1317 12.525,1318 3.807,1319 3.087,1320 29.731,1321 65,1322 58,1323 0.234,1324 152.15,1325 267.61,1326 363.007,1327 16048,1329 15.104,1330 0.687,1331 0.564,1332 15.104,1333 12.412,1334 10.72,1335 0.429,1336 0.302,1337 7.438,1338 10.302,1339 7.269,1340 5.961,1341 10.72,1342 7.544,1343 9.854,1344 0.274,1345 0.159,1346 9.854,1347 5.74,1348 8.563,1349 0.171,1350 0.083,1351 8.563,1352 4.159,1353 7.545,1354 0.109,1355 0.044,1356 7.545,1357 3.045,1358 6.482,1359 0.069,1360 0.023,1361 6.482,1362 2.153,1363 0.352,1364 67.199,1365 0.242,1366 21.116,1367 0.692,1368 122,1369 352.852,1370 134.379,1371 332.246,1372 461.51,1373 314,1374 147,1375 345.271,1376 160.075,1377 345.046,1378 513.98,1379 327,1380 5.62}
{0 CHEMBL437688,1 1.957,2 9.478,3 3.673,4 13.494,5 90.635,6 11.238,7 0.44,8 3.613,9 3.66,10 3.546,11 3.254,12 5.009,13 3.248,14 4.037,15 4.077,16 4.039,17 3.644,18 5.605,19 3.619,20 4.21,21 4.294,22 3.889,23 3.628,24 5.661,25 3.608,26 4.21,27 4.307,28 3.841,29 3.502,30 5.732,31 3.514,32 4.138,33 4.242,34 3.761,35 3.455,36 5.602,37 3.444,38 4.044,39 4.142,40 3.676,41 3.312,42 5.788,43 3.312,44 3.852,45 3.991,46 3.403,47 3.204,48 5.277,49 3.12,50 3.572,51 3.678,52 3.368,53 3.022,54 5.029,55 2.961,56 0.252,57 0.426,58 1.58,59 2.493,60 25.496,61 1.837,62 0.397,63 0.661,64 5.446,65 4.572,66 58.522,67 3.253,68 0.544,69 0.757,70 10.27,71 6.083,72 66.797,73 4.414,74 0.692,75 0.727,76 8.305,77 5.59,78 97.606,79 3.994,80 0.655,81 0.693,82 10.831,83 5.604,84 78.688,85 4.727,86 0.711,87 0.637,88 8.123,89 4.761,90 91.828,91 3.52,92 0.457,93 0.543,94 8.778,95 4.561,96 77.508,97 3.715,98 0.277,99 0.43,100 8.271,101 3.739,102 45.393,103 2.843,104 27,105 36,106 0.36,107 0.726,108 0.818,109 0.886,110 0.898,111 0.898,112 3.188,113 0.899,114 -2.81,115 -2.82,116 -2.73,119 45.2,135 1,138 1,142 5,143 1,144 2,152 2,158 1,159 1,166 2,172 3,174 1,175 6,178 1,180 3,183 5,187 9,192 3,195 5,199 6,202 1,204 1,207 4,211 2,212 3,215 2,217 2,220 4,223 2,224 4,227 2,229 2,232 3,237 4,242 1,245 2,250 3,255 2,258 1,263 2,266 1,267 1,268 1,271 1,275 696,276 15.033,277 15.033,278 15.033,279 15.033,280 15.033,281 12.967,282 12.223,283 8.628,284 15.454,285 12.317,286 12.317,287 12.317,288 12.317,289 12.317,290 9.079,291 10.063,292 4.105,293 13.029,294 2.997,295 1.004,296 0.504,297 0.129,298 0.065,299 0.065,300 3.861,303 1,304 1,305 1,306 461,307 2.828,310 128.544,311 77.962,318 1.546,319 38.711,322 1,323 1,324 1,325 0.4,327 0.83,328 1,329 0.75,330 52,331 218,332 4.465,333 4.866,334 6.502,335 4.066,336 3.08,337 4.189,338 4.503,339 10.166,340 3.038,341 4.273,342 3.782,343 6.149,344 3.861,345 2.932,346 3.821,347 2.612,348 9.09,349 2.742,350 4.103,351 3.688,352 5.871,353 3.622,354 2.651,355 3.575,356 1.059,357 8.035,358 2.564,359 3.803,360 3.148,361 5.43,362 3.35,363 2.381,364 3.267,365 0.524,366 7.055,367 2.303,368 3.378,369 3.082,370 4.887,371 2.836,372 1.927,373 2.565,375 5.417,376 1.784,377 3.156,378 2.542,379 4.719,380 2.665,381 1.745,382 2.322,384 4.903,385 1.511,386 2.913,387 1.932,388 4.137,389 2.238,390 1.288,391 2.011,393 3.536,394 1.217,395 2.777,396 1.924,397 3.904,398 2.222,399 1.234,400 1.765,402 2.977,403 1.2,404 2.473,405 1.676,406 3.759,407 1.993,408 1.023,409 1.423,411 2.745,412 0.977,413 2.173,414 1.093,415 3.276,416 1.682,417 0.685,418 1.013,420 1.675,421 0.682,422 1.264,423 1,424 2.873,425 0.882,426 -0.053,427 -0.067,428 -0.131,429 -0.049,430 1.162,431 0.828,432 2.546,433 0.724,434 -0.204,435 -0.265,436 -0.563,437 -0.185,438 1,439 0.699,440 2.311,441 0.356,442 -0.595,443 -0.86,445 -1.364,446 -0.506,447 1,448 0.332,449 2,450 0.204,451 -0.773,452 -1.059,454 -2,455 -0.75,456 0.666,457 0.162,458 1.931,460 -0.947,461 -1.229,463 -2.296,464 -0.868,465 11.133,466 0.484,467 0.736,468 0.032,469 32.25,470 1.402,471 17.5,472 0.761,473 14.75,474 0.641,475 15.197,476 0.661,477 23.667,478 0.763,479 23.798,480 1.035,481 6.44,482 0.28,483 4.496,484 0.195,485 0.195,487 0.395,493 0.671,494 0.768,495 0.595,496 0.597,497 0.649,498 0.622,499 0.626,500 1.087,501 0.548,502 0.861,503 0.486,504 0.885,505 1.091,506 1.049,507 1.063,508 1.084,509 0.853,510 1.109,511 1.22,512 0.941,513 0.772,514 0.853,515 1.132,516 1.018,517 0.967,518 0.854,519 0.89,520 0.857,521 0.909,522 0.958,523 0.844,524 0.949,525 0.851,526 0.854,527 0.713,528 1.04,529 1.14,530 0.834,531 1.079,532 0.841,533 1.336,534 1.026,535 0.953,536 1.097,537 1.229,538 1.182,539 1.069,540 0.97,541 6,542 0.12,543 2.889,544 2.076,545 1.098,546 0.983,547 0.362,548 0.322,549 0.184,550 0.179,551 5509,552 25228,553 2.016,554 25.8,556 6,559 2,564 1.656,565 1.84,566 3.229,567 0.45,569 1,571 1,573 60.667,574 1.957,575 3.95,576 4.451,577 4.825,578 4.89,579 4.89,580 2.666,581 4.35,582 4.496,583 3.394,584 858.696,585 7.735,586 9808.59,587 1,588 1,589 1,590 1,591 153.58,592 1.538,593 4.428,594 0.24,595 0.009,596 0.08,597 0.063,598 0.037,599 0.034,600 0.014,601 0.018,602 0.011,603 0.011,604 0.517,605 0.5,606 1,607 0.872,608 107.731,609 0.016,610 0.206,611 -0.011,612 0.149,613 -0.084,614 0.095,615 0.108,616 -0.157,617 0.181,618 -0.02,619 0.15,620 -0.101,621 -0.202,622 -0.142,623 -0.179,624 -0.167,625 -0.084,626 -0.157,627 -0.167,628 -0.062,629 0.01,630 -0.027,631 -0.158,632 -0.058,633 0.049,634 0.052,635 0.001,636 0.04,637 -0.068,638 0.061,639 0.223,640 -0.007,641 -0.012,642 0.004,643 0.255,644 -0.077,645 -0.227,646 0.099,647 -0.012,648 0.161,649 -0.252,650 0.123,651 -0.119,652 -0.091,653 -0.003,654 -0.044,655 -0.116,656 0.127,657 2.56,658 4.595,659 0.696,660 18.707,661 1.053,662 1.101,663 1.578,664 2.49,665 0.77,666 3.258,667 3.611,668 3.85,669 4.094,670 4.22,671 4.277,672 4.344,673 4.407,674 4.477,675 4.511,676 5.787,677 0.76,678 348.38,679 3.258,680 4.812,681 5.659,682 6.544,683 7.41,684 8.295,685 9.168,686 10.052,687 10.927,688 11.811,689 6.5,696 1,700 1,704 5,707 1,709 5,711 11,725 1,728 1,731 31,733 16,734 1,735 25,737 33,738 14,739 10,740 3,741 3,742 3,746 3,747 3,761 14,766 5,768 1,771 3,772 1,773 1,775 3,777 1,778 1,780 1,781 8,782 6,783 2,784 9,785 2,790 2,792 1,794 1,795 5,811 2,812 1,831 2,837 1,840 3,842 2,848 23,853 1,855 1,857 1,870 16.1,872 1,873 1,875 1,876 2,877 12.5,878 5.65,879 4.944,880 1.618,881 3.018,882 1.436,883 0.957,884 4.321,885 9.935,886 3.597,887 4.216,888 4.737,889 5.29,890 5.744,891 6.131,892 6.496,893 6.832,894 7.183,895 7.467,896 1,897 33,898 8.46,900 3.746,901 8.362,902 15.116,904 12.23,905 2.862,906 65.833,910 70.627,911 157.364,912 23.681,914 128.083,916 77.412,917 79.953,918 198.709,919 23.681,920 5.67,921 18.011,922 56.857,923 74.084,924 15.45,925 10.898,926 102.846,927 95.939,928 70.627,929 103.634,930 128.083,931 77.412,933 70.627,934 77.336,935 50.747,937 18.011,938 68.926,939 16.697,940 77.412,941 70.627,942 151.763,943 157.364,946 70.627,947 55.315,948 62.528,949 18.011,950 173.275,951 70.627,952 151.763,953 157.364,955 0.596,956 0.342,957 0.177,958 0.092,959 18,960 9,961 0.091,962 3,964 1,965 3.477,966 181.775,968 16,969 102.042,970 1,971 1,974 15.892,975 6.253,976 3.352,978 146.093,979 6.798,982 5.535,984 0.517,986 60.694,987 379.754,988 35.5,990 -0.56,993 33.24,994 4.89,995 1.511,997 0.444,999 32.644,1000 34.129,1001 0.395,1002 0.797,1003 0.898,1004 0.974,1005 0.987,1006 0.987,1007 4.842,1008 1.234,1009 5.673,1010 3.536,1011 4.29,1012 4.902,1013 3.97,1014 6.488,1015 4.2,1016 6.083,1017 1.023,1018 7.244,1019 2.977,1020 4.007,1021 4.856,1022 3.415,1023 7.372,1024 3.87,1025 7.41,1026 0.685,1027 8.906,1028 2.745,1029 5.9,1030 7.105,1031 6.647,1032 10.438,1033 5.742,1034 8.769,1035 -0.053,1036 10.62,1037 1.675,1038 6.382,1039 7.825,1040 6.596,1041 12.111,1042 6.185,1043 10.154,1044 -0.204,1045 12.366,1046 -0.131,1047 7.786,1048 9.577,1049 9.527,1050 14.687,1051 7.574,1052 11.557,1053 -0.595,1054 14.133,1055 -0.563,1056 8.603,1057 10.64,1058 9.775,1059 16.697,1060 8.354,1061 12.973,1062 -0.773,1063 15.917,1064 -1.364,1065 9.819,1066 12.195,1067 12.456,1068 19.094,1069 9.555,1070 3.08,1071 -0.947,1072 17.712,1073 -2,1074 10.787,1075 13.423,1076 12.932,1077 21.257,1078 10.492,1079 2.932,1080 10.166,1081 19.518,1082 -2.296,1083 11.929,1084 14.894,1085 15.405,1086 23.587,1087 11.618,1088 2.651,1089 9.09,1090 21.331,1091 4.189,1092 12.967,1093 16.205,1094 16.06,1095 25.82,1096 12.629,1097 2.381,1098 8.035,1099 23.15,1100 3.821,1101 14.081,1102 17.639,1103 18.365,1104 28.127,1105 13.727,1106 1.927,1107 7.055,1108 24.974,1109 3.575,1110 15.152,1111 18.995,1112 19.163,1113 30.395,1114 14.775,1115 1.745,1116 5.417,1117 26.803,1118 3.267,1119 16.257,1120 20.414,1121 21.331,1122 32.696,1123 15.865,1124 1.288,1125 4.903,1126 28.635,1127 2.565,1128 17.344,1129 21.795,1130 22.246,1131 34.982,1132 16.934,1133 5440,1134 11771,1135 16.126,1136 23.864,1137 38.627,1138 42.675,1139 39.669,1140 38.029,1141 37.892,1142 51.902,1143 17.397,1144 111.2,1145 36.035,1146 5.243,1147 6.866,1148 5.8,1149 5.163,1150 5.08,1151 7.189,1152 8.638,1153 16.918,1154 5.038,1155 13.557,1156 1.545,1157 1.707,1158 1.587,1159 1.521,1160 1.516,1161 2.076,1162 0.696,1163 4.448,1164 1.441,1165 4.054,1166 4.063,1167 4.203,1168 3.944,1169 7.815,1170 3.954,1171 3.862,1172 3.872,1173 4.005,1174 3.777,1175 7.429,1176 3.747,1177 3.675,1178 3.68,1179 3.781,1180 3.572,1181 6.999,1182 3.542,1183 3.454,1184 3.466,1185 3.46,1186 3.073,1187 6.469,1188 3.139,1189 3.006,1190 3.042,1191 3.341,1192 2.99,1193 5.061,1194 2.934,1195 2.81,1196 2.85,1197 2.923,1198 2.729,1199 4.78,1200 2.706,1201 2.737,1202 2.752,1203 2.725,1204 2.52,1205 4.498,1206 2.527,1207 2.708,1208 2.679,1209 2.633,1210 2.351,1211 3.992,1212 2.433,1213 0.179,1214 0.195,1215 0.26,1216 0.163,1217 0.123,1218 4.465,1219 0.168,1220 4.866,1221 0.18,1222 6.502,1223 0.407,1224 4.066,1225 0.122,1226 3.08,1227 4.189,1228 4.503,1229 10.166,1230 3.038,1231 1.921,1232 1.906,1233 1.993,1234 2.084,1235 1.102,1236 2.041,1237 1.638,1238 1.631,1239 1.718,1240 1.762,1241 0.836,1242 1.745,1243 1.398,1244 1.378,1245 1.505,1246 1.706,1247 0.579,1248 1.61,1249 1.269,1250 1.265,1251 1.274,1252 1.516,1253 0.256,1254 1.491,1255 1.162,1256 1.156,1257 1.227,1258 1.436,1259 0.229,1260 1.408,1261 1.04,1262 1.047,1263 1.071,1264 1.135,1265 0.135,1266 1.178,1267 0.688,1268 0.647,1269 0.834,1270 0.977,1272 0.936,1273 0.527,1274 0.505,1275 0.766,1276 0.899,1278 0.907,1279 3.932,1281 5.273,1282 3.045,1283 6.779,1284 5.352,1285 8.361,1286 7.368,1287 9.986,1294 9.857,1296 2.485,1298 1.116,1305 23.571,1306 60.667,1307 122.461,1308 137.97,1309 149.58,1310 151.58,1311 151.58,1312 52.172,1313 6.917,1314 112.05,1315 172.38,1316 16,1317 12.346,1318 4.087,1319 3.524,1320 36.901,1321 80,1322 72,1323 0.23,1324 152.368,1325 271.09,1326 363.538,1327 8530,1329 16.56,1330 0.72,1331 0.563,1332 17.414,1333 12.941,1334 10.936,1335 0.437,1336 0.3,1337 6.253,1338 9.729,1339 6.069,1340 4.984,1341 11.632,1342 7.488,1343 10.447,1344 0.29,1345 0.173,1346 11.686,1347 6.232,1348 8.349,1349 0.181,1350 0.09,1351 9.364,1352 4.161,1353 6.799,1354 0.115,1355 0.051,1356 7.98,1357 2.985,1358 4.99,1359 0.074,1360 0.027,1361 5.911,1362 1.779,1363 0.359,1364 76.861,1365 0.249,1366 22.521,1367 0.636,1368 122,1369 490.791,1370 183.883,1371 506.926,1372 661.1,1373 464,1374 143,1375 449.672,1376 188.184,1377 468.243,1378 681.43,1379 438,1380 6.222}
{0 CHEMBL440084,1 1.606,2 10.207,3 3.447,4 11.883,5 105.223,6 8.543,7 0.697,8 3.957,9 4.051,10 3.643,11 3.535,12 5.176,13 3.553,14 4.434,15 4.545,16 4.02,17 3.915,18 5.695,19 3.921,20 4.594,21 4.749,22 4.013,23 3.993,24 5.775,25 3.97,26 4.636,27 4.811,28 3.971,29 3.955,30 5.818,31 3.931,32 4.634,33 4.841,34 3.904,35 3.946,36 5.704,37 3.9,38 4.537,39 4.718,40 3.938,41 3.936,42 5.626,43 3.901,44 4.564,45 4.719,46 3.968,47 3.968,48 5.784,49 3.929,50 4.65,51 4.842,52 3.824,53 3.933,54 5.743,55 3.866,56 0.091,57 0.655,58 6.777,59 3.634,60 10.769,61 3.86,62 0.358,63 1.025,64 12.66,65 6.118,66 30.868,67 6.582,68 0.281,69 1.217,70 16.452,71 7.467,72 30.44,73 8.617,74 0.381,75 1.307,76 18.12,77 7.115,78 39.711,79 8.049,80 0.402,81 1.283,82 20.227,83 7.627,84 41.858,85 9.495,86 0.301,87 1.153,88 16.713,89 7.191,90 25.33,91 9.034,92 0.409,93 1.179,94 15.762,95 7.249,96 34.503,97 8.666,98 0.37,99 1.215,100 20.011,101 8.451,102 36.154,103 10.198,104 6,105 47,106 0.27,107 0.585,108 0.727,109 0.843,110 0.879,111 0.879,112 3.409,113 0.819,114 -3.52,115 -3.5,116 -3.34,119 48.9,126 1,142 10,143 3,144 2,145 1,146 2,152 1,158 1,161 1,163 1,164 1,165 1,172 11,174 1,175 7,177 1,178 2,180 2,183 9,185 1,187 11,190 1,192 6,195 4,197 2,198 1,199 9,204 7,207 2,209 2,211 1,212 6,217 4,220 8,222 1,223 1,224 4,227 1,232 14,236 2,237 4,239 1,240 3,241 1,244 1,245 15,249 1,250 6,258 10,263 7,268 1,271 4,273 1,275 1410,276 20.016,277 20.016,278 20.016,279 20.016,280 20.016,281 17.268,282 9.425,283 11.747,284 20.301,285 16.319,286 16.319,287 16.319,288 16.319,289 16.319,290 12.105,291 10.192,292 5.588,293 16.805,294 3.886,295 2.017,296 1.174,297 0.48,298 0.267,299 0.267,300 4.121,303 1,304 1,305 1,306 661,307 2.739,310 145.328,311 257.096,314 117.324,318 1.539,319 27.491,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 63,331 296,332 4.579,333 3.5,334 6.753,335 4.181,336 3.216,337 4.316,338 1.392,339 11.107,340 3.103,341 4.266,342 3.33,343 6.197,344 3.871,345 2.912,346 3.898,347 0.98,348 9.258,349 2.832,350 4.169,351 3.163,352 6.09,353 3.79,354 2.799,355 3.757,356 0.532,357 8.836,358 2.726,359 3.913,360 2.699,361 5.879,362 3.55,363 2.562,364 3.388,366 8.04,367 2.525,368 3.745,369 2.459,370 5.714,371 3.362,372 2.392,373 3.149,375 7.621,376 2.31,377 3.296,378 2.074,379 4.752,380 2.814,381 1.84,382 2.62,384 5.082,385 1.787,386 2.998,387 1.991,388 4.378,389 2.514,390 1.534,391 2.177,393 4.219,394 1.501,395 2.886,396 1.854,397 4.271,398 2.478,399 1.527,400 2.025,402 3.759,403 1.439,404 2.736,405 1.658,406 3.937,407 2.267,408 1.277,409 1.787,411 3.112,412 1.258,413 2.5,414 1.385,415 3.713,416 2.092,417 1.096,418 1.5,420 2.65,421 1.088,422 2.5,423 1.04,424 3.458,425 2,426 1,427 1.5,428 2.327,429 1,430 2.462,431 1,432 3.428,433 1.959,434 1,435 1.415,436 2.275,437 0.956,438 2.293,439 1,440 3.414,441 1.894,442 0.912,443 1.208,445 2.157,446 0.892,447 2.156,448 0.823,449 3.247,450 1.718,451 0.787,452 1.097,454 2.136,455 0.731,456 1.628,457 0.688,458 3.034,459 1.319,460 0.39,461 0.468,463 0.975,464 0.359,465 13.6,466 0.469,467 0.657,468 0.023,469 44,470 1.517,471 24.5,472 0.845,473 19.5,474 0.672,475 18.84,476 0.65,477 29,478 0.644,479 33.225,480 1.146,481 8.944,482 0.308,483 5.242,484 0.181,485 0.054,487 0.368,493 0.866,494 1.081,495 0.673,496 0.9,497 0.77,498 0.766,499 0.921,500 1.038,501 0.805,502 0.92,503 0.613,504 0.862,505 0.909,506 1.175,507 0.938,508 1.071,509 0.884,510 1.025,511 1.106,512 1.176,513 1.114,514 1.021,515 1.057,516 1.043,517 0.834,518 0.945,519 0.952,520 0.835,521 0.844,522 0.882,523 0.583,524 0.99,525 0.788,526 0.921,527 0.441,528 0.894,529 0.617,530 0.918,531 0.972,532 1.055,533 0.543,534 1.084,535 0.926,536 0.974,537 1.116,538 1.133,539 0.861,540 1.156,541 5,542 0.123,543 3.556,544 1.542,545 1.532,546 1.153,547 0.513,548 0.323,549 0.36,550 0.249,551 10909,552 32410,553 2.193,554 35.6,556 10,557 2,558 1,559 3,564 1.725,565 2.096,566 3.32,567 0.891,569 1,573 72.271,574 1.606,575 3.474,576 4.318,577 5.012,578 5.225,579 5.225,580 2.767,581 4.306,582 4.825,583 3.507,584 1423.8,585 8.438,586 18918.4,588 1,590 1,591 247.133,592 1.247,593 4.809,594 0.152,595 0.006,596 0.076,597 0.034,598 0.036,599 0.028,600 0.012,601 0.008,602 0.01,603 0.009,604 0.369,605 0.33,606 0.88,607 0.601,608 145.519,609 -0.102,610 -0.021,611 0.032,612 0.016,613 -0.152,614 0.053,615 0.074,616 -0.02,617 -0.005,618 0.016,619 0.084,620 -0.011,621 -0.082,622 -0.168,623 -0.066,624 -0.117,625 -0.032,626 -0.099,627 -0.194,628 -0.105,629 -0.198,630 -0.104,631 -0.147,632 -0.139,633 -0.07,634 0.09,635 0.024,636 0.124,637 -0.082,638 0.108,639 0.095,640 0.02,641 0.118,642 0.049,643 0.066,644 0.082,645 0.187,646 0.101,647 -0.107,648 -0.103,649 0.105,650 -0.159,651 -0.05,652 -0.03,653 -0.133,654 -0.133,655 -0.085,656 -0.141,657 2.133,658 4.338,659 0.897,660 27.581,661 1.015,662 1.114,663 2.293,664 5.256,665 0.71,666 3.526,667 3.871,668 4.19,669 4.477,670 4.718,671 4.898,672 5.1,673 5.263,674 5.434,675 5.572,676 6.293,677 0.698,678 384.42,679 3.526,680 5.081,681 5.953,682 6.843,683 7.732,684 8.63,685 9.527,686 10.43,687 11.332,688 12.238,689 8.9,696 1,697 1,699 2,704 11,705 2,706 1,709 9,711 23,717 1,729 2,731 45,733 24,734 2,735 33,737 49,738 22,739 20,740 5,741 7,742 1,746 5,747 6,761 21,762 1,766 1,771 1,775 1,777 1,778 1,781 16,782 6,783 3,784 7,787 1,790 4,794 0.8,795 3,805 1,811 2,812 3,815 1,840 4,848 29,849 1,854 1,856 2,870 6.7,873 1,875 2,877 13.833,878 8.15,879 6.25,880 2.508,881 3.474,882 1.439,883 1.054,884 4.355,885 11.38,886 3.839,887 4.474,888 5.113,889 5.728,890 6.292,891 6.697,892 7.21,893 7.665,894 8.151,895 8.584,896 0.857,897 46,898 10.65,900 4.635,901 7.799,902 20.075,904 16.64,905 2.299,906 66.667,909 1,910 153.024,911 145.807,912 83.254,914 47.145,917 145.807,918 200.169,919 83.254,921 39.547,922 94.762,923 77.52,924 73.39,925 26.299,926 117.711,928 153.024,929 229.06,930 47.145,933 153.024,934 47.145,937 73.222,938 122.267,939 33.571,941 153.024,942 130.398,943 145.807,946 153.024,947 41.997,948 103.81,949 16.786,950 113.613,951 153.024,952 130.398,953 145.807,955 0.586,956 0.346,957 0.186,958 0.099,959 25,960 10,961 0.082,962 4,963 1,964 1.077,965 4.089,966 271.172,967 0.077,968 26,969 136.881,974 17.619,975 7.169,976 3.29,978 113.613,979 20.149,980 9.283,981 3.367,984 6.527,986 49.683,987 429.229,988 45.5,993 11.338,997 -0.466,999 45.691,1000 50.113,1001 0.292,1002 0.633,1003 0.786,1004 0.913,1005 0.951,1006 0.951,1007 5.074,1008 1.527,1009 5.938,1010 4.219,1011 4.554,1012 5.162,1013 1.996,1014 6.767,1015 4.496,1016 6.291,1017 1.277,1018 7.505,1019 3.759,1020 4.111,1021 4.902,1023 7.689,1024 4.028,1025 7.603,1026 1.096,1027 9.173,1028 3.112,1029 6.163,1030 7.376,1031 2.352,1032 10.803,1033 6.047,1034 8.953,1035 1,1036 10.901,1037 2.65,1038 6.581,1039 7.965,1041 12.567,1042 6.43,1043 10.336,1044 1,1045 12.668,1046 2.327,1047 8.07,1048 9.87,1049 2.853,1050 15.179,1051 7.894,1052 11.742,1053 0.912,1054 14.46,1055 2.275,1056 8.868,1057 10.856,1059 17.28,1060 8.652,1061 13.165,1062 0.787,1063 16.27,1064 2.157,1065 10.135,1066 12.511,1067 3.428,1068 19.729,1069 9.893,1070 3.216,1071 0.39,1072 18.093,1073 2.136,1074 11.109,1075 13.703,1077 21.981,1078 10.827,1079 2.912,1080 11.107,1081 19.925,1082 0.975,1083 12.288,1084 15.24,1085 4.044,1086 24.378,1087 11.977,1088 2.799,1089 9.258,1090 21.766,1091 4.316,1092 13.346,1093 16.543,1095 26.702,1096 12.995,1097 2.562,1098 8.836,1099 23.612,1100 3.898,1101 14.493,1102 18.024,1103 4.682,1104 29.089,1105 14.11,1106 2.392,1107 8.04,1108 25.464,1109 3.757,1110 15.592,1111 19.388,1113 31.449,1114 15.171,1115 1.84,1116 7.621,1117 27.321,1118 3.388,1119 16.73,1120 20.845,1121 5.331,1122 33.836,1123 16.275,1124 1.534,1125 5.082,1126 29.183,1127 3.149,1128 17.851,1129 22.244,1131 36.216,1132 17.358,1133 10098,1134 17533,1135 22.77,1136 31.955,1137 50.891,1138 51.657,1139 51.076,1140 50.439,1141 50.49,1142 68.61,1143 5.806,1144 147.111,1145 49.016,1146 5.403,1147 5.5,1148 6.555,1149 5.235,1150 5.216,1151 7.316,1152 2.783,1153 18.299,1154 5.103,1155 10.353,1156 1.542,1157 1.565,1158 1.548,1159 1.528,1160 1.53,1161 2.079,1162 0.176,1163 4.458,1164 1.485,1165 4.096,1166 4.13,1167 4.066,1168 3.989,1169 7.437,1170 4.003,1171 3.913,1172 3.927,1173 3.867,1174 3.838,1175 5.077,1176 3.84,1177 3.851,1178 3.881,1179 3.8,1180 3.746,1181 4.958,1182 3.754,1183 3.654,1184 3.699,1185 3.602,1186 3.48,1187 4.896,1188 3.506,1189 3.323,1190 3.366,1191 3.253,1192 3.085,1193 4.793,1194 3.121,1195 3.229,1196 3.273,1197 3.12,1198 2.967,1199 4.566,1200 2.999,1201 2.854,1202 2.925,1203 2.737,1204 2.735,1205 4.262,1206 2.716,1207 2.853,1208 2.906,1209 2.705,1210 2.723,1211 3.969,1212 2.715,1213 0.139,1214 0.106,1215 0.205,1216 0.127,1217 0.097,1218 4.579,1219 0.131,1220 3.5,1221 0.042,1222 6.753,1223 0.337,1224 4.181,1225 0.094,1226 3.216,1227 4.316,1228 1.392,1229 11.107,1230 3.103,1231 1.925,1232 1.902,1233 2.017,1234 2.022,1235 1.115,1236 2.02,1237 1.908,1238 1.888,1239 1.986,1240 1.998,1241 1.109,1242 1.996,1243 1.805,1244 1.774,1245 1.913,1246 1.912,1247 0.957,1248 1.914,1249 1.377,1250 1.329,1251 1.492,1252 1.636,1253 0.581,1254 1.597,1255 1.276,1256 1.25,1257 1.441,1258 1.522,1259 0.557,1260 1.489,1261 1.154,1262 1.12,1263 1.373,1264 1.469,1265 0.394,1266 1.445,1267 1.033,1268 0.969,1269 1.212,1270 1.33,1271 0.218,1272 1.299,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.166,1278 1.107,1279 4.205,1281 5.541,1282 3.045,1283 7.071,1284 5.352,1285 8.683,1286 7.424,1287 10.34,1293 5.335,1295 0.212,1297 10.922,1305 31.391,1306 72.271,1307 156.351,1308 194.304,1309 225.524,1310 235.133,1311 235.133,1312 38.504,1313 7.905,1314 103.12,1315 103.12,1316 28,1317 12.757,1318 4.644,1319 3.755,1320 39.355,1321 106,1322 118,1323 0.178,1324 188.872,1325 322.45,1326 452.608,1327 27488,1329 19.794,1330 0.683,1331 0.526,1332 19.794,1333 15.254,1334 14.187,1335 0.43,1336 0.273,1337 8.867,1338 13.641,1339 8.719,1340 7.194,1341 14.187,1342 9.005,1343 12.9,1344 0.274,1345 0.139,1346 12.9,1347 6.534,1348 11.317,1349 0.174,1350 0.073,1351 11.317,1352 4.714,1353 9.587,1354 0.11,1355 0.037,1356 9.587,1357 3.251,1358 7.632,1359 0.069,1360 0.02,1361 7.632,1362 2.173,1363 0.273,1364 89.073,1365 0.21,1366 27.219,1367 0.506,1368 160,1369 492.142,1370 176.432,1371 474.217,1372 659.21,1373 446,1374 192,1375 495.926,1376 208.796,1377 502.129,1378 741.03,1379 473,1380 5}
{0 CHEMBL445813,1 1.842,2 10.12,3 1.599,4 2.557,5 95.872,6 9.102,7 0.407,8 3.859,9 3.982,10 3.576,11 3.39,12 5.015,13 3.383,14 4.388,15 4.548,16 3.967,17 3.795,18 5.554,19 3.756,20 4.68,21 4.897,22 4.075,23 3.91,24 5.81,25 3.833,26 4.655,27 4.867,28 4.232,29 3.795,30 6.037,31 3.747,32 4.505,33 4.704,34 3.776,35 3.629,36 5.817,37 3.6,38 4.35,39 4.516,40 3.873,41 3.634,42 5.752,43 3.61,44 4.413,45 4.599,46 3.951,47 3.659,48 5.635,49 3.611,50 4.405,51 4.639,52 3.707,53 3.471,54 5.673,55 3.399,56 0.148,57 0.646,58 6.342,59 3.323,60 12.313,61 4.067,62 0.331,63 0.991,64 13.408,65 5.864,66 29.161,67 7.513,68 0.599,69 1.112,70 27.014,71 8.588,72 63.36,73 11.089,74 0.864,75 0.999,76 33.747,77 8.087,78 86.415,79 10.181,80 0.729,81 0.875,82 25.159,83 6.457,84 92.216,85 7.553,86 0.557,87 0.856,88 15.19,89 5.304,90 80.521,91 6.381,92 0.525,93 0.886,94 19.94,95 5.395,96 46.277,97 6.851,98 0.651,99 0.797,100 23.465,101 5.815,102 65.239,103 7.623,104 17,105 37,106 0.324,107 0.692,108 0.811,109 0.831,110 0.831,111 0.831,112 3.267,113 0.958,114 -2.99,115 -2.99,116 -2.89,119 38.1,121 2,125 2,127 1,142 3,143 1,144 3,146 1,151 1,158 2,168 1,172 2,175 1,178 2,180 5,183 8,186 1,190 2,191 1,195 3,199 6,202 2,203 3,204 4,207 3,211 1,212 4,215 1,217 2,223 1,224 1,227 2,229 5,237 4,240 1,242 4,250 7,254 2,255 5,258 2,263 1,268 1,275 922,276 16.759,277 16.759,278 16.759,279 16.759,280 16.759,281 15.097,282 24.567,283 9.973,284 17.176,285 13.306,286 13.306,287 13.306,288 13.306,289 13.306,290 10.783,291 37.709,292 4.7,293 14.045,294 3.55,295 1.459,296 0.78,297 0.667,298 0.667,299 0.667,300 3.944,301 2,303 1,304 1,305 1,306 536,307 3.317,310 74.159,311 170.857,318 1.645,319 34.169,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.167,331 253,332 4.466,333 3.695,334 6.686,335 4.079,336 3.119,337 4.113,338 1.058,339 10.64,340 2.991,341 4.335,342 3.587,343 6.457,344 3.945,345 2.978,346 3.961,347 1.058,348 9.962,349 2.853,350 3.629,351 3.041,352 5.445,353 3.486,354 2.521,355 2.791,356 0.4,357 7.218,358 2.428,359 3.415,360 2.664,361 5.079,362 3.074,363 2.097,364 2.602,366 5.885,367 2.012,368 3.232,369 2.623,370 4.841,371 2.815,372 1.879,373 2.481,375 5.104,376 1.785,377 3.205,378 2.52,379 4.72,380 2.707,381 1.821,382 2.298,384 4.787,385 1.441,386 2.715,387 1.779,388 3.883,389 2.351,390 1.418,391 1.79,393 3.177,394 1.319,395 2.521,396 1.388,397 3.668,398 2.233,399 1.263,400 1.487,402 2.88,403 1.214,404 2.46,405 1.357,406 3.517,407 2.012,408 1.035,409 1.458,411 2.412,412 0.987,413 2.236,414 1.077,415 3.36,416 1.984,417 1,418 1.062,420 2.136,421 0.983,422 2,423 1.038,424 3.247,425 1.716,426 0.756,427 1,428 1.911,429 0.719,430 1.179,431 0.888,432 2.761,433 0.804,434 -0.053,435 -0.06,436 -0.137,437 -0.036,438 1.03,439 0.473,440 2.558,441 0.745,442 -0.214,443 -0.241,445 -0.51,446 -0.203,447 1,448 0.275,449 2.352,450 0.557,451 -0.347,452 -0.445,454 -0.757,455 -0.229,456 1,457 0.173,458 2.154,459 0.473,460 -0.453,461 -0.622,463 -1.076,464 -0.429,465 12.095,466 0.484,467 0.613,468 0.025,469 30,470 1.2,471 13.5,472 0.54,473 16.5,474 0.66,475 21.321,476 0.853,477 27.505,478 0.655,479 22.362,480 0.894,481 5.934,482 0.237,483 6.124,484 0.245,485 0.173,487 0.331,493 0.716,494 1.267,495 0.557,496 0.844,497 0.539,498 0.817,499 0.685,500 1.336,501 0.649,502 0.96,503 0.542,504 0.974,505 0.878,506 0.966,507 0.823,508 0.885,509 0.826,510 0.905,511 0.814,512 0.893,513 0.764,514 0.957,515 0.936,516 0.863,517 1.621,518 0.849,519 1.015,520 0.778,521 1.968,522 0.814,523 1.142,524 1.165,525 0.731,526 0.77,527 1.282,528 0.852,529 1.019,530 1.256,531 1.043,532 1.123,533 0.877,534 1.099,535 0.848,536 0.941,537 0.894,538 1.074,539 0.8,540 1.046,541 4.5,542 0.087,543 2.889,544 2.25,545 1.169,546 0.802,547 0.409,548 0.401,549 0.155,550 0.166,551 6986,552 23382,553 2.038,554 40.5,556 8,557 1,559 4,562 4,564 1.681,565 1.899,566 3.288,567 1.855,568 1,569 1,573 77.381,574 1.842,575 3.933,576 4.612,577 4.726,578 4.726,579 4.726,580 2.699,581 4.084,582 4.618,583 3.468,584 1040.39,585 7.99,586 12671.9,587 1,588 1,590 1,591 226.477,592 1.44,593 4.569,594 0.167,595 0.006,596 0.078,597 0.061,598 0.032,599 0.027,600 0.013,601 0.013,602 0.007,603 0.011,604 0.415,605 0.17,606 1,607 0.609,608 120.624,609 -0.082,610 0.014,611 -0.005,612 0.053,613 -0.028,614 0.051,615 0.017,616 -0.171,617 0.012,618 -0.046,619 0.061,620 -0.062,621 0.003,622 0.02,623 0.074,624 0.075,625 0.016,626 0.079,627 0.308,628 0.044,629 0.281,630 0.013,631 0.246,632 0.107,633 -0.297,634 0.094,635 -0.123,636 0.147,637 -0.29,638 0.101,639 -0.041,640 -0.087,641 0.005,642 0.127,643 0.033,644 0.027,645 -0.063,646 -0.164,647 -0.073,648 -0.204,649 -0.091,650 -0.203,651 0.149,652 0.021,653 0.04,654 -0.154,655 0.15,656 -0.09,657 2.173,658 5.457,659 0.68,660 20.576,661 1.024,662 1.136,663 1.762,664 3.104,665 0.69,666 3.332,667 3.638,668 3.892,669 4.127,670 4.159,671 4.159,672 4.19,673 4.277,674 4.248,675 4.263,676 6.073,677 0.664,678 382.28,679 3.332,680 4.86,681 5.7,682 6.569,683 7.421,684 8.295,685 9.152,686 10.028,687 10.887,688 11.765,689 11.9,691 1,696 2,697 1,699 1,704 4,705 1,706 1,709 5,711 11,718 2,730 2,731 42,733 13,734 1,735 27,737 44,738 16,739 9,740 3,741 3,742 2,746 3,747 3,748 2,755 3,758 3,761 11,762 5,766 2,771 2,775 2,777 1,778 1,781 17,782 6,783 4,784 9,785 2,790 5,794 1,795 2,803 1,811 1,812 2,835 1,840 3,845 2,848 25,854 4,855 3,858 1,869 2,870 4.8,873 2,877 13.167,878 7.236,879 5.556,880 2.477,881 2.165,882 1.313,883 0.979,884 5.961,885 9.078,886 3.57,887 4.107,888 4.626,889 5.137,890 5.354,891 5.5,892 5.63,893 5.878,894 6.074,895 6.288,896 0.857,897 37,898 9.268,900 4.014,901 7.989,902 17.232,904 14.05,905 2.489,906 62.222,910 153.024,911 71.866,912 87.358,913 78.297,914 50.29,917 71.866,918 281.611,919 87.358,921 45.302,922 55.487,923 76.362,924 32.363,925 11.771,926 141.253,927 78.297,928 153.024,929 159.224,930 50.29,931 78.297,933 105.94,934 97.374,937 82.732,938 59.829,939 94.96,941 153.024,942 137.648,943 150.164,946 153.024,947 34.39,948 37.476,949 70.695,950 145.25,951 153.024,952 137.648,953 150.164,955 0.579,956 0.343,957 0.189,958 0.084,959 17,960 8,961 0.091,962 4,964 1,965 3.678,966 201.18,968 17,969 106.096,974 18.201,975 8.188,976 4.331,978 120.985,979 6.238,980 3.94,981 2.599,984 1.002,986 70.695,987 440.836,988 34.5,993 24.886,997 -0.846,999 42.996,1000 47.705,1001 0.342,1002 0.729,1003 0.855,1004 0.876,1005 0.876,1006 0.876,1007 4.802,1008 1.263,1009 5.68,1010 3.177,1011 4.317,1012 4.792,1013 1.758,1014 6.482,1015 4.213,1016 5.987,1017 1.035,1018 7.236,1019 2.88,1020 3.892,1021 4.59,1023 7.394,1024 3.713,1025 7.283,1026 1,1027 8.898,1028 2.412,1029 5.894,1030 6.91,1031 1.803,1032 10.508,1033 5.713,1034 8.617,1035 0.756,1036 10.623,1037 2.136,1038 6.312,1039 7.578,1041 12.283,1042 6.069,1043 9.987,1044 -0.053,1045 12.39,1046 1.911,1047 7.777,1048 9.365,1049 1.891,1050 14.902,1051 7.522,1052 11.382,1053 -0.214,1054 14.187,1055 -0.137,1056 8.579,1057 10.427,1059 17.016,1060 8.268,1061 12.798,1062 -0.347,1063 16.004,1064 -0.51,1065 9.833,1066 12.002,1067 1.987,1068 19.464,1069 9.498,1070 3.119,1071 -0.453,1072 17.838,1073 -0.757,1074 10.81,1075 13.244,1077 21.714,1078 10.424,1079 2.978,1080 10.64,1081 19.683,1082 -1.076,1083 11.979,1084 14.727,1085 2.086,1086 24.099,1087 11.561,1088 2.521,1089 9.962,1090 21.538,1091 4.113,1092 13.034,1093 16.051,1095 26.404,1096 12.568,1097 2.097,1098 7.218,1099 23.399,1100 3.961,1101 14.171,1102 17.492,1103 2.186,1104 28.765,1105 13.668,1106 1.879,1107 5.885,1108 25.267,1109 2.791,1110 15.262,1111 18.855,1113 31.094,1114 14.713,1115 1.821,1116 5.104,1117 27.138,1118 2.602,1119 16.387,1120 20.277,1121 2.287,1122 33.446,1123 15.798,1124 1.418,1125 4.787,1126 29.013,1127 2.481,1128 17.494,1129 21.659,1131 35.786,1132 16.861,1133 6813,1134 12663,1135 17.8,1136 28.983,1137 40.318,1138 42.324,1139 41.551,1140 40.107,1141 39.777,1142 50.085,1143 5.033,1144 112.224,1145 37.465,1146 5.466,1147 5.695,1148 6.488,1149 5.122,1150 5.119,1151 7.113,1152 2.117,1153 17.556,1154 4.991,1155 12.29,1156 1.493,1157 1.568,1158 1.539,1159 1.485,1160 1.473,1161 1.855,1162 0.186,1163 4.156,1164 1.388,1165 3.994,1166 4.039,1167 4.115,1168 3.894,1169 7.432,1170 3.894,1171 3.886,1172 3.915,1173 3.905,1174 3.745,1175 7.426,1176 3.766,1177 3.811,1178 3.878,1179 3.692,1180 3.639,1181 5.006,1182 3.645,1183 3.321,1184 3.378,1185 3.582,1186 3.06,1187 4.965,1188 3.1,1189 3.255,1190 3.309,1191 3.268,1192 2.963,1193 4.632,1194 3.005,1195 3.111,1196 3.206,1197 3.18,1198 2.941,1199 4.404,1200 2.91,1201 2.909,1202 2.981,1203 3.058,1204 2.849,1205 4.115,1206 2.815,1207 2.901,1208 2.918,1209 2.866,1210 2.633,1211 3.913,1212 2.652,1213 0.165,1214 0.137,1215 0.248,1216 0.151,1217 0.116,1218 4.466,1219 0.152,1220 3.695,1221 0.039,1222 6.686,1223 0.394,1224 4.079,1225 0.111,1226 3.119,1227 4.113,1228 1.058,1229 10.64,1230 2.991,1231 1.892,1232 1.881,1233 2.033,1234 2.021,1235 1.377,1236 2.029,1237 1.821,1238 1.758,1239 1.938,1240 1.964,1241 1.072,1242 1.968,1243 1.56,1244 1.529,1245 1.652,1246 1.741,1247 0.825,1248 1.718,1249 1.337,1250 1.258,1251 1.513,1252 1.7,1253 0.744,1254 1.643,1255 1.153,1256 1.083,1257 1.482,1258 1.451,1259 0.567,1260 1.429,1261 1.127,1262 1.064,1263 1.327,1264 1.376,1265 0.288,1266 1.414,1267 0.999,1268 0.91,1269 1.193,1270 1.254,1271 0.234,1272 1.242,1273 0.849,1274 0.827,1275 1,1276 0.975,1277 0.105,1278 1.004,1279 4.007,1281 5.313,1282 2.398,1283 6.81,1284 4.595,1285 8.395,1286 6.581,1287 10.025,1290 12.084,1295 3.431,1296 8.798,1299 0.09,1305 27.879,1306 77.381,1307 165.193,1308 193.722,1309 198.477,1310 198.477,1311 198.477,1312 57.213,1313 6.914,1314 98.91,1315 98.91,1316 17,1317 12.307,1318 3.807,1319 3.087,1320 41.721,1321 90,1322 90,1323 0.224,1324 180.206,1325 311,1326 431.462,1327 9248,1328 4.8,1329 17.811,1330 0.712,1331 0.59,1332 18.811,1333 14.747,1334 12.059,1335 0.447,1336 0.319,1337 7.809,1338 11.001,1339 7.647,1340 6.287,1341 12.636,1342 8.623,1343 10.748,1344 0.29,1345 0.176,1346 11.489,1347 6.51,1348 8.843,1349 0.184,1350 0.096,1351 9.517,1352 4.598,1353 7.695,1354 0.126,1355 0.053,1356 8.604,1357 3.247,1358 4.968,1359 0.079,1360 0.029,1361 5.26,1362 1.808,1363 0.35,1364 82.127,1365 0.237,1366 24.271,1367 0.62,1368 128,1369 424.854,1370 172.071,1371 467.59,1372 605.63,1373 432,1374 149,1375 389.52,1376 185.788,1377 410.061,1378 600.25,1379 386,1380 5}
{0 CHEMBL446470,1 1.656,2 15.583,3 3.734,4 13.941,5 167.743,6 8.082,7 0.278,8 4.544,9 4.63,10 4.175,11 4.03,12 5.718,13 4.047,14 5.148,15 5.289,16 4.617,17 4.508,18 6.323,19 4.513,20 5.443,21 5.593,22 4.809,23 4.75,24 6.568,25 4.736,26 5.684,27 5.851,28 4.93,29 4.859,30 6.866,31 4.842,32 5.764,33 5.95,34 4.884,35 4.837,36 6.96,37 4.811,38 5.701,39 5.879,40 4.807,41 4.792,42 6.929,43 4.756,44 5.674,45 5.864,46 4.709,47 4.75,48 6.914,49 4.694,50 5.662,51 5.88,52 4.47,53 4.612,54 6.816,55 4.531,56 0.385,57 1.175,58 14.829,59 7.992,60 27.272,61 9.224,62 1.042,63 1.991,64 33.121,65 14.036,66 119.332,67 16.903,68 1.234,69 2.609,70 44.854,71 19.251,72 128.466,73 23.414,74 1.925,75 3.074,76 61.628,77 23.252,78 221.8,79 28.639,80 2.687,81 3.091,82 72.8,83 24.378,84 280.428,85 30.388,86 2.597,87 2.921,88 67.252,89 23.084,90 287.819,91 28.524,92 2.304,93 2.846,94 65.621,95 22.908,96 288.765,97 29.048,98 2.531,99 2.631,100 70.94,101 21.653,102 307.453,103 27.959,104 106,105 84,106 0.248,107 0.604,108 0.822,109 0.877,110 0.884,111 0.884,112 3.895,113 0.881,114 -3.73,115 -3.69,116 -3.51,119 40.2,120 2,121 6,122 1,123 2,124 2,125 2,127 2,136 2,142 2,143 2,144 2,146 2,151 1,152 1,156 1,157 1,158 2,166 4,172 14,174 4,175 15,183 16,186 4,187 26,195 15,198 8,199 28,207 12,211 9,212 20,220 15,223 10,224 16,232 17,236 6,237 18,245 13,249 3,250 19,258 7,262 4,263 16,271 3,275 5426,276 31.942,277 31.942,278 31.942,279 31.942,280 31.942,281 29.316,282 40.373,283 17.984,284 32.472,285 26.517,286 26.517,287 26.517,288 26.517,289 26.517,290 22.086,291 51.165,292 8.293,293 27.213,294 4.701,295 2.321,296 0.866,297 0.5,298 0.451,299 0.451,300 4.604,306 1666,307 5.431,310 265.013,311 402.046,314 615.403,315 301.288,316 169.356,318 1.896,319 93.155,322 0.5,323 0.33,324 0.5,325 0.6,326 0.5,327 0.33,329 0.4,330 109,331 748,332 5.026,333 4.256,334 8.27,335 4.852,336 3.856,337 4.631,338 2.612,339 16.41,340 3.841,341 4.669,342 4.07,343 7.865,344 4.581,345 3.578,346 4.507,347 2.455,348 14.59,349 3.589,350 4.658,351 3.808,352 6.845,353 4.192,354 3.226,355 3.909,356 2.178,357 11.339,358 3.115,359 4.185,360 3.719,361 6.7,362 3.874,363 2.874,364 3.631,365 1.674,366 10.52,367 2.877,368 4.058,369 3.628,370 6.651,371 3.806,372 2.801,373 3.529,374 1.148,375 10.287,376 2.805,377 4.054,378 3.48,379 6.174,380 3.621,381 2.674,382 3.27,383 0.86,384 8.884,385 2.531,386 3.719,387 3.219,388 5.93,389 3.461,390 2.498,391 2.961,392 0.8,393 7.998,394 2.386,395 3.612,396 3.051,397 5.775,398 3.231,399 2.238,400 2.879,401 0.525,402 7.436,403 2.215,404 3.577,405 2.661,406 5.387,407 3.168,408 2.215,409 2.781,411 6.409,412 2.105,413 3.264,414 2.634,415 5.385,416 3.078,417 2.1,418 2.325,420 6.17,421 2.033,422 3.034,423 2.632,424 5.156,425 2.801,426 1.834,427 2.238,428 5.597,429 1.755,430 2.97,431 2.3,432 4.882,433 2.669,434 1.637,435 1.985,436 4.685,437 1.687,438 2.949,439 2.037,440 4.461,441 2.606,442 1.611,443 1.942,445 4.129,446 1.591,447 2.85,448 1.849,449 4.371,450 2.363,451 1.386,452 1.897,454 3.689,455 1.348,456 2.636,457 1.725,458 4.218,459 2.342,460 1.358,461 1.63,463 3.284,464 1.33,465 21.767,466 0.453,467 1.605,468 0.033,469 55.5,470 1.156,471 23,472 0.479,473 32.5,474 0.677,475 61.089,476 1.273,477 53.833,478 0.657,479 55.848,480 1.163,481 10.371,482 0.216,483 12.54,484 0.261,485 0.184,486 0.046,487 0.404,493 0.575,494 1.243,495 0.658,496 1.167,497 0.495,498 0.988,499 0.737,500 0.971,501 0.7,502 0.903,503 0.472,504 0.808,505 0.763,506 1.122,507 0.833,508 1.129,509 0.69,510 1.029,511 0.925,512 1.104,513 0.947,514 1.158,515 0.957,516 1.083,517 1.049,518 0.932,519 1.014,520 1.007,521 0.924,522 1.006,523 1.04,524 0.961,525 1.089,526 1.048,527 0.971,528 1.084,529 0.951,530 1.053,531 1.093,532 1.156,533 0.933,534 1.17,535 1.193,536 0.926,537 1.213,538 1.004,539 1.289,540 1.102,541 11,542 0.299,543 8.444,544 5.813,545 5.541,546 3.275,547 2.213,548 1.245,549 0.817,550 0.442,551 42709,552 137601,553 2.074,554 41.5,555 11,556 14,557 1,560 4,561 4,564 1.843,565 1.882,566 3.758,567 -0.684,573 135.827,574 1.656,575 4.036,576 5.491,577 5.857,578 5.906,579 5.906,580 3.059,581 5.46,582 5.557,583 4.06,584 4579.42,585 9.871,586 88134.4,591 521.319,592 1.724,593 5.481,594 0.204,595 0.007,596 0.101,597 0.059,598 0.052,599 0.033,600 0.025,601 0.016,602 0.014,603 0.009,604 0.518,605 0.33,606 0.5,607 0.895,608 283.183,609 0.1,610 -0.016,611 0.077,612 -0.025,613 0.026,614 0.001,615 0.046,616 0.142,617 0.15,618 0.177,619 0.124,620 0.195,621 0.005,622 -0.039,623 0.029,624 -0.048,625 0.002,626 -0.011,627 -0.012,628 -0.084,629 -0.013,630 -0.125,631 -0.054,632 -0.083,633 -0.012,634 0.017,635 -0.011,636 -0.009,637 -0.013,638 -0.008,639 -0.005,640 -0.002,641 -0.099,642 -0.041,643 -0.01,644 -0.09,645 0.003,646 -0.103,647 -0.106,648 -0.141,649 0.042,650 -0.153,651 -0.141,652 -0.042,653 -0.154,654 -0.035,655 -0.142,656 -0.087,657 2.55,658 7.155,659 0.583,660 59.839,661 1.028,662 1.128,663 2.499,664 6.245,665 0.652,666 4.007,667 4.443,668 4.844,669 5.231,670 5.553,671 5.823,672 6.061,673 6.269,674 6.425,675 6.538,676 9.222,677 0.645,678 662.71,679 4.007,680 5.624,681 6.547,682 7.503,683 8.454,684 9.421,685 10.385,686 11.359,687 12.331,688 13.309,689 4.9,695 1,699 2,700 1,703 2,704 3,705 2,707 2,709 5,711 15,716 1,721 1,725 1,726 1,731 82,733 22,734 1,735 54,737 88,738 33,739 10,740 4,741 2,742 4,746 7,747 21,752 2,753 2,754 2,755 5,756 1,758 8,761 16,762 17,763 1,766 7,768 1,771 6,775 6,780 1,781 34,782 14,784 15,790 4,794 0.286,795 11,811 3,812 4,815 4,816 2,817 1,824 1,829 1,832 2,839 1,840 2,844 4,848 48,854 8,856 3,858 3,859 1,860 2,870 13.4,873 4,874 1,875 4,876 2,877 25.5,878 16.383,879 10.236,880 5.161,881 3.223,882 1.319,883 0.947,884 8.09,885 13.33,886 4.241,887 4.864,888 5.486,889 6.098,890 6.598,891 7.037,892 7.415,893 7.727,894 7.929,895 8.135,896 0.9,897 99,898 18.172,900 8.541,901 8.076,902 33.448,904 29.311,905 2.576,906 123.667,910 400.217,911 142.17,912 47.988,914 203.795,917 142.17,918 604.012,919 47.988,920 42.6,921 21.905,922 30.692,923 175.422,924 67.136,925 17.22,926 388.446,927 50.747,928 400.217,929 190.157,930 203.795,933 353.133,934 189.132,935 61.747,937 43.844,938 101.45,939 44.863,941 400.217,942 251.782,943 142.17,946 400.217,947 74.548,948 76.416,950 242.988,951 400.217,952 251.782,953 142.17,955 0.603,956 0.377,957 0.217,958 0.124,959 45,960 22,961 0.125,962 11,963 6,964 1.393,965 5.148,966 578.514,967 0.429,968 27,969 266.078,974 32.629,975 11.901,976 4.884,977 0.316,978 246.112,979 4.162,980 7.512,982 10.482,984 0.992,987 794.169,988 68.5,990 -0.55,993 76.584,997 -0.552,999 84.262,1000 92.525,1001 0.261,1002 0.635,1003 0.864,1004 0.921,1005 0.929,1006 0.929,1007 5.571,1008 2.238,1009 6.613,1010 7.998,1011 5.13,1012 5.553,1013 3.708,1014 7.613,1015 5.091,1016 6.821,1017 2.215,1018 8.299,1019 7.436,1020 5.056,1021 5.624,1022 3.261,1023 9.066,1024 5.023,1025 8.192,1026 2.1,1027 10.103,1028 6.409,1029 6.94,1030 7.792,1031 5.072,1032 12.272,1033 6.881,1034 9.603,1035 1.834,1036 11.98,1037 6.17,1038 7.701,1039 8.691,1040 5.312,1041 14.58,1042 7.654,1043 11.052,1044 1.637,1045 13.907,1046 5.597,1047 9.14,1048 10.399,1049 6.688,1050 17.428,1051 9.079,1052 12.527,1053 1.611,1054 15.87,1055 4.685,1056 10.235,1057 11.641,1058 7.244,1059 20.037,1060 10.184,1061 14.023,1062 1.386,1063 17.859,1064 4.129,1065 11.557,1066 13.206,1067 8.414,1068 22.811,1069 11.501,1070 3.856,1071 1.358,1072 19.869,1073 3.689,1074 12.783,1075 14.595,1076 9.136,1077 25.525,1078 12.731,1079 3.578,1080 16.41,1081 21.895,1082 3.284,1083 14.084,1084 16.115,1085 10.201,1086 28.29,1087 14.031,1088 3.226,1089 14.59,1090 23.935,1091 4.631,1092 15.362,1093 17.57,1094 11.015,1095 31.042,1096 15.311,1097 2.874,1098 11.339,1099 25.985,1100 4.507,1101 16.666,1102 19.079,1103 12.024,1104 33.811,1105 16.615,1106 2.801,1107 10.52,1108 28.044,1109 3.909,1110 17.968,1111 20.565,1112 12.89,1113 36.58,1114 17.917,1115 2.674,1116 10.287,1117 30.111,1118 3.631,1119 19.281,1120 22.074,1121 13.87,1122 39.355,1123 19.229,1124 2.498,1125 8.884,1126 32.183,1127 3.529,1128 20.596,1129 23.575,1130 14.767,1131 42.132,1132 20.543,1133 39443,1134 71094,1135 35.024,1136 53.443,1137 85.741,1138 89.198,1139 90.278,1140 84.21,1141 84.191,1142 103.875,1143 24.506,1144 272.766,1145 82.413,1146 6.019,1147 6.256,1148 8.03,1149 5.944,1150 5.856,1151 7.631,1152 4.612,1153 25.418,1154 5.841,1155 30.653,1156 1.588,1157 1.652,1158 1.672,1159 1.559,1160 1.559,1161 1.924,1162 0.454,1163 5.051,1164 1.526,1165 4.17,1166 4.181,1167 4.138,1168 4.075,1169 7.815,1170 4.086,1171 4.098,1172 4.12,1173 4.083,1174 3.945,1175 7.437,1176 3.971,1177 3.922,1178 3.937,1179 3.863,1180 3.808,1181 7.43,1182 3.818,1183 3.747,1184 3.8,1185 3.638,1186 3.582,1187 7.426,1188 3.58,1189 3.601,1190 3.627,1191 3.575,1192 3.405,1193 7.424,1194 3.419,1195 3.569,1196 3.593,1197 3.481,1198 3.308,1199 6.999,1200 3.335,1201 3.515,1202 3.54,1203 3.446,1204 3.249,1205 5.383,1206 3.286,1207 3.434,1208 3.472,1209 3.37,1210 3.15,1211 5.012,1212 3.172,1213 0.093,1214 0.079,1215 0.153,1216 0.09,1217 0.071,1218 5.026,1219 0.086,1220 4.256,1221 0.048,1222 8.27,1223 0.304,1224 4.852,1225 0.071,1226 3.856,1227 4.631,1228 2.612,1229 16.41,1230 3.841,1231 2.013,1232 2.002,1233 2.102,1234 2.107,1235 1.508,1236 2.102,1237 1.941,1238 1.916,1239 2.022,1240 2.103,1241 1.311,1242 2.066,1243 1.74,1244 1.717,1245 1.926,1246 1.919,1247 1.241,1248 1.918,1249 1.708,1250 1.655,1251 1.89,1252 1.882,1253 1.126,1254 1.88,1255 1.577,1256 1.539,1257 1.804,1258 1.762,1259 1.118,1260 1.77,1261 1.429,1262 1.387,1263 1.667,1264 1.749,1265 0.848,1266 1.704,1267 1.396,1268 1.377,1269 1.648,1270 1.645,1271 0.8,1272 1.64,1273 1.369,1274 1.332,1275 1.531,1276 1.629,1277 0.706,1278 1.59,1279 4.691,1281 6.098,1282 3.434,1283 7.711,1284 5.82,1285 9.438,1286 7.972,1287 11.236,1289 6.977,1295 2.568,1297 17.499,1299 -2.156,1300 1.849,1301 -2.017,1305 52.85,1306 135.827,1307 330.984,1308 450.3,1309 480.3,1310 484.3,1311 484.3,1312 158.12,1313 10.108,1314 197.09,1315 197.09,1316 39,1317 13.782,1318 4.524,1319 3.954,1320 68.79,1321 259,1322 305,1323 0.124,1324 311.571,1325 569.25,1326 751.993,1327 471646,1329 34.12,1330 0.711,1331 0.56,1332 34.12,1333 26.901,1334 22.911,1335 0.424,1336 0.294,1337 15.54,1338 21.515,1339 15.163,1340 12.394,1341 22.911,1342 15.861,1343 22.023,1344 0.262,1345 0.159,1346 22.023,1347 13.377,1348 19.808,1349 0.157,1350 0.085,1351 19.808,1352 10.767,1353 17.697,1354 0.095,1355 0.045,1356 17.697,1357 8.334,1358 14.791,1359 0.058,1360 0.023,1361 14.791,1362 6.006,1363 0.197,1364 147.989,1365 0.169,1366 41.084,1367 0.336,1368 276,1369 969.671,1370 313.662,1371 891.496,1372 1190.67,1373 826,1374 348,1375 876.967,1376 388.193,1377 862.451,1378 1279.56,1379 806,1380 7.616}
{0 CHEMBL449049,1 1.722,2 7.111,3 0.976,4 0.952,5 71.33,6 7.64,7 0.25,8 3.674,9 3.793,10 3.33,11 3.193,12 4.652,13 3.146,14 4.287,15 4.474,16 3.794,17 3.618,18 5.253,19 3.558,20 4.521,21 4.727,22 3.805,23 3.775,24 5.466,25 3.659,26 4.61,27 4.883,28 3.649,29 3.738,30 5.531,31 3.548,32 4.243,33 4.457,34 3.399,35 3.417,36 5.329,37 3.277,38 3.884,39 4.036,40 3.027,41 3.228,42 4.766,43 3.083,44 4,45 4.238,46 2.871,47 3.052,48 4.949,49 2.966,50 4.037,51 4.292,52 2.565,53 2.974,54 5.008,55 2.796,56 0.031,57 0.55,58 8.157,59 3.442,60 4.378,61 4.401,62 0.286,63 0.917,64 18.391,65 5.56,66 20.207,67 7.589,68 0.385,69 1.093,70 23.819,71 7.108,72 27.524,73 9.596,74 0.329,75 1.079,76 32.547,77 9.739,78 35.001,79 12.363,80 0.499,81 0.765,82 22.256,83 5.75,84 45.974,85 6.884,86 0.06,87 0.593,88 14.832,89 5.132,90 4.227,91 6.069,92 0.233,93 0.543,94 12.712,95 3.614,96 23.215,97 5.242,98 0.379,99 0.494,100 13.993,101 4.311,102 38.416,103 6.057,104 10,105 30,106 0.322,107 0.586,108 0.749,109 0.749,110 0.749,111 0.749,112 2.962,113 1.052,114 -2.4,115 -2.43,116 -2.38,119 34.3,120 2,121 1,125 4,130 1,146 1,152 1,158 1,162 1,174 1,175 3,178 1,180 3,183 3,186 1,187 1,192 1,195 1,198 1,199 6,202 1,211 2,212 1,215 1,220 2,224 2,237 1,249 1,253 1,263 2,275 286,276 11.809,277 11.809,278 11.809,279 11.809,280 11.809,281 11.148,282 21.362,283 6.819,284 12.331,285 9.908,286 9.908,287 9.908,288 9.908,289 9.908,290 8.755,291 34.231,292 3.288,293 10.781,294 3.407,295 2,296 1.129,297 1.129,298 1.129,299 1.129,300 3.633,304 1,305 1,306 276,307 2.345,310 32.45,311 93.094,314 62.812,318 1.123,319 18.543,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 39.5,331 128,332 4.542,333 3.724,334 6.873,335 4.303,336 3.342,337 4.136,338 1.058,339 11.524,340 3.215,341 4.103,342 3.147,343 6.399,344 3.853,345 2.948,346 3.233,347 0.86,348 9.895,349 2.672,350 3.729,351 3.125,352 5.997,353 3.504,354 2.563,355 2.878,356 0.8,357 8.459,358 2.388,359 3.302,360 2.617,361 5.12,362 2.97,363 1.993,364 2.431,366 5.882,367 1.933,368 2.833,369 2.227,370 4.389,371 2.555,372 1.676,373 1.874,375 4.23,376 1.453,377 2.334,378 1.449,379 3.798,380 1.952,381 1.07,382 1.242,384 2.669,385 0.946,386 2.144,387 1.256,388 3.498,389 1.904,390 1,391 1.063,393 2.276,394 0.881,395 2,396 1.193,397 3.247,398 1.677,399 0.795,400 1,402 2.136,403 0.68,404 1.029,405 0.457,406 3.223,407 0.726,408 -0.243,409 -0.28,411 -0.748,412 -0.232,413 0.755,414 -0.082,415 2.794,416 0.533,417 -0.456,418 -0.526,420 -1.301,421 -0.442,422 0.427,423 -0.36,424 2.404,425 0.246,426 -0.68,427 -0.729,428 -1.585,429 -0.627,430 0.126,431 -0.477,432 2,434 -1,435 -1,436 -2.347,437 -0.846,439 -0.89,440 2,441 -0.149,442 -1,443 -1,445 -3,446 -1,448 -1,449 1.659,450 -0.198,451 -1.172,452 -1.415,454 -3.641,455 -1.108,456 -0.08,457 -1.242,458 1.555,459 -0.47,460 -1.377,461 -1.572,463 -4.459,464 -1.208,465 8.7,466 0.483,467 0.622,468 0.035,469 18.5,470 1.028,471 6,472 0.333,473 12.5,474 0.694,475 17.491,476 0.972,477 20.7,478 0.591,479 10.317,480 0.573,481 3.227,482 0.179,483 5.324,484 0.296,485 0.153,486 0.057,487 0.276,493 0.799,494 1.501,495 0.748,496 1.084,497 0.595,498 1.034,499 1,500 1.119,501 0.743,502 0.842,503 0.579,504 0.793,505 1.113,506 1.097,507 0.996,508 0.984,509 0.967,510 1.08,511 0.561,512 1.034,513 1.124,514 1.175,515 0.672,516 0.927,517 1.546,518 0.753,519 1.531,520 1.07,521 2.3,522 1.02,523 0.794,524 1.764,525 1.81,526 2.051,527 0.722,528 1.69,529 1.492,530 0.887,531 0.862,532 0.779,533 1.809,534 1.027,535 1.143,536 0.845,537 0.874,538 0.865,539 1.433,540 1.181,541 5,543 2.222,544 1.694,545 1.237,546 0.612,547 0.291,548 0.191,549 0.094,550 0.031,551 2647,552 6854,553 2.073,554 48.6,556 8,559 1,560 2,561 6,564 1.588,565 1.912,566 2.854,567 -0.171,569 1,571 1,573 60.264,574 1.722,575 3.129,576 4,577 4,578 4,579 4,580 2.288,581 3.725,582 4.143,583 2.947,584 450.853,585 7.04,586 4111.1,587 1,588 1,591 179.525,592 1.676,593 4.078,594 0.25,596 0.074,597 0.063,598 0.052,599 0.036,600 0.021,601 0.016,602 0.013,603 0.016,604 0.54,605 0.67,606 1,607 0.662,608 74.776,609 -0.045,610 -0.253,611 0.085,612 -0.035,613 -0.039,614 -0.006,615 0.017,616 -0.006,617 0.197,618 0.145,619 0.085,620 0.175,621 -0.14,622 -0.004,623 -0.059,624 -0.021,625 -0.132,626 -0.129,627 0.147,628 -0.079,629 0.077,630 -0.035,631 0.185,632 0.106,633 -0.198,634 0.336,635 -0.276,636 0.046,637 -0.362,638 -0.086,639 -0.081,640 -0.595,641 -0.566,642 -0.726,643 -0.034,644 -0.602,645 -0.288,646 0.042,647 -0.183,648 -0.068,649 -0.221,650 -0.147,651 0.085,652 -0.05,653 -0.17,654 -0.126,655 -0.033,656 -0.27,657 1.654,658 5.013,659 0.833,660 10.778,661 1.006,662 1.135,663 1.168,664 1.364,665 0.654,666 3.045,667 3.434,668 3.664,669 3.989,670 4.19,671 4.304,672 4.344,673 4.431,674 4.369,675 4.174,676 4.349,677 0.611,678 267.39,679 3.045,680 4.615,681 5.468,682 6.385,683 7.259,684 8.181,685 9.065,686 9.987,687 10.877,688 11.8,689 8.6,695 1,696 1,699 1,705 1,708 1,709 3,711 5,718 1,726 1,731 35,733 6,735 20,737 37,738 12,739 3,742 1,746 3,747 4,752 2,755 1,756 1,758 1,761 4,762 8,763 1,766 1,771 1,775 1,777 1,778 1,781 17,782 5,783 1,784 6,785 1,790 3,794 0.667,795 2,811 1,812 2,815 1,839 1,840 2,842 1,844 2,848 18,854 5,855 1,856 1,859 1,860 1,863 1,870 5.7,873 1,874 1,877 9.417,878 6.9,879 3.75,880 2.142,881 1.085,882 1.165,883 0.95,884 3.062,885 7.652,886 3.199,887 3.744,888 4.218,889 4.788,890 5.095,891 5.435,892 5.565,893 5.703,894 5.686,895 5.369,896 0.8,897 27,898 6.706,900 2.906,901 7.681,902 13.057,904 11.123,905 2.181,906 39.25,907 0.002,910 188.338,911 74.179,912 37.921,914 36.145,916 31.278,917 42.902,918 224.482,919 37.921,920 17.65,921 33.941,923 57.635,924 6.382,925 1.358,926 219.615,928 188.338,929 80.822,930 36.145,931 31.278,933 117.711,934 95.772,935 11,937 54.849,938 9.187,939 16.786,940 31.278,941 188.338,942 74.065,943 74.179,946 188.338,947 56.529,948 20.775,949 18.011,950 52.93,951 188.338,952 74.065,953 74.179,955 0.6,956 0.332,957 0.185,958 0.102,959 17,960 7,961 0.027,962 1,963 1,964 1.133,965 2.993,966 135.309,967 0.133,968 15,969 69.059,970 1,974 12.363,975 4.458,976 2.415,978 74.065,980 4.649,983 1.498,984 2.669,986 18.011,987 336.582,988 23.5,993 12.013,997 0.012,999 35.222,1000 39.74,1001 0.336,1002 0.61,1003 0.78,1004 0.78,1005 0.78,1006 0.78,1007 4.503,1008 0.795,1009 5.525,1010 2.276,1011 4.111,1012 4.425,1013 1.737,1014 6.412,1015 3.96,1016 5.717,1017 -0.243,1018 7.135,1019 2.136,1020 4.007,1021 4.425,1022 0.325,1023 7.644,1024 3.851,1025 7.054,1026 -0.456,1027 8.852,1028 -0.748,1029 5.844,1030 6.528,1031 1.622,1032 10.646,1033 5.578,1034 8.42,1035 -0.68,1036 10.63,1037 -1.301,1038 6.494,1039 7.312,1040 0.268,1041 12.61,1042 6.218,1043 9.819,1044 -1,1045 12.444,1046 -1.585,1047 7.895,1048 8.973,1049 1.587,1050 15.207,1051 7.537,1052 11.238,1053 -1,1054 14.282,1055 -2.347,1056 8.852,1057 10.101,1058 0.188,1059 17.439,1060 8.475,1061 12.672,1062 -1.172,1063 16.135,1064 -3,1065 10.103,1066 11.603,1067 1.592,1068 19.914,1069 9.667,1070 3.342,1071 -1.377,1072 17.999,1073 -3.641,1074 11.189,1075 12.887,1076 0.125,1077 22.255,1078 10.728,1079 2.948,1080 11.524,1081 19.871,1082 -4.459,1083 12.391,1084 14.331,1085 1.624,1086 24.692,1087 11.884,1088 2.563,1089 9.895,1090 21.75,1091 4.136,1092 13.533,1093 15.687,1094 0.082,1095 27.08,1096 12.997,1097 1.993,1098 8.459,1099 23.634,1100 3.233,1101 14.721,1102 17.111,1103 1.676,1104 29.508,1105 14.147,1106 1.676,1107 5.882,1108 25.522,1109 2.878,1110 15.889,1111 18.5,1112 0.054,1113 31.919,1114 15.285,1115 1.07,1116 4.23,1117 27.414,1118 2.431,1119 17.075,1120 19.918,1121 1.742,1122 34.348,1123 16.437,1124 1,1125 2.669,1126 29.309,1127 1.874,1128 18.256,1129 21.322,1130 0.035,1131 36.771,1132 17.587,1133 2611,1134 4302,1135 13.118,1136 22.904,1137 31.174,1138 32.268,1139 31.087,1140 30.634,1141 30.774,1142 35.716,1143 5.437,1144 94.141,1145 28.337,1146 5.542,1147 5.603,1148 6.675,1149 5.436,1150 5.342,1151 6.805,1152 2.117,1153 18.85,1154 5.161,1155 8.377,1156 1.559,1157 1.613,1158 1.554,1159 1.532,1160 1.539,1161 1.786,1162 0.272,1163 4.707,1164 1.417,1165 4.001,1166 4.031,1167 4.271,1168 3.939,1169 7.429,1170 3.899,1171 3.748,1172 3.806,1173 3.643,1174 3.55,1175 4.808,1176 3.555,1177 3.501,1178 3.544,1179 3.531,1180 3.402,1181 4.583,1182 3.363,1183 3.133,1184 3.206,1185 3.078,1186 2.941,1187 4.285,1188 2.91,1189 3.111,1190 3.164,1191 2.866,1192 2.827,1193 3.719,1194 2.886,1195 2.874,1196 3.009,1197 2.782,1198 2.686,1199 3.503,1200 2.644,1201 2.874,1202 2.953,1203 2.617,1204 2.618,1205 3.474,1206 2.57,1207 2.635,1208 2.729,1209 2.499,1210 2.349,1211 3.467,1212 2.338,1213 0.227,1214 0.186,1215 0.344,1216 0.215,1217 0.167,1218 4.542,1219 0.207,1220 3.724,1221 0.053,1222 6.873,1223 0.576,1224 4.303,1225 0.161,1226 3.342,1227 4.136,1228 1.058,1229 11.524,1230 3.215,1231 1.825,1232 1.786,1233 1.991,1234 1.99,1235 1.262,1236 1.992,1237 1.708,1238 1.654,1239 1.91,1240 1.947,1241 1.199,1242 1.943,1243 1.337,1244 1.318,1245 1.513,1246 1.495,1247 0.825,1248 1.512,1249 1.167,1250 1.128,1251 1.509,1252 1.379,1253 0.691,1254 1.429,1255 1.153,1256 1.064,1257 1.417,1258 1.376,1259 0.469,1260 1.365,1261 0.934,1262 0.804,1263 1.194,1264 1.239,1265 0.441,1266 1.308,1267 0.829,1268 0.782,1269 1.098,1270 1.143,1271 0.226,1272 1.139,1273 0.533,1274 0.461,1275 0.793,1276 0.815,1278 0.847,1279 3.714,1281 5.081,1282 2.398,1283 6.635,1284 4.727,1285 8.274,1286 6.862,1287 9.96,1289 4.059,1295 3.994,1296 3.016,1297 5.333,1300 2.201,1301 -0.194,1305 21.369,1306 60.264,1307 109.525,1308 140.015,1309 140.015,1310 140.015,1311 140.015,1312 26.888,1313 6.567,1314 54.46,1315 82.7,1316 17,1317 12.313,1318 2.807,1319 2.17,1320 25.684,1321 49,1322 42,1323 0.284,1324 134.422,1325 229.35,1326 319.751,1327 5033,1329 12.751,1330 0.708,1331 0.637,1332 13.104,1333 11.471,1334 8.55,1335 0.428,1336 0.351,1337 6.158,1338 7.705,1339 5.871,1340 4.827,1341 8.959,1342 7.017,1343 8.603,1344 0.287,1345 0.212,1346 9.219,1347 6.364,1348 6.523,1349 0.172,1350 0.116,1351 7.428,1352 4.392,1353 5.94,1354 0.112,1355 0.064,1356 6.828,1357 3.383,1358 4.445,1359 0.068,1360 0.038,1361 5.367,1362 2.483,1363 0.425,1364 58.327,1365 0.276,1366 17.686,1367 0.842,1368 100,1369 291.955,1370 138.739,1371 293.978,1372 399.23,1373 276,1374 118,1375 273.903,1376 156.088,1377 291.245,1378 433,1379 272,1380 5.625}
{0 CHEMBL449172,1 1.681,2 6.333,3 0.673,4 0.453,5 54.476,6 7.713,7 0.375,8 3.425,9 3.527,10 3.006,11 2.851,12 4.593,13 2.876,14 3.959,15 4.124,16 3.312,17 3.192,18 5.217,19 3.197,20 4.15,21 4.358,22 3.282,23 3.307,24 5.233,25 3.264,26 4.102,27 4.321,28 3.114,29 3.208,30 5.209,31 3.138,32 4.03,33 4.281,34 3.017,35 3.065,36 5.192,37 2.975,38 3.766,39 3.991,40 2.711,41 2.85,42 4.759,43 2.758,44 3.654,45 3.862,46 2.404,47 2.399,48 4.92,49 2.37,50 3.209,51 3.439,52 1.755,53 1.587,54 4.727,55 1.568,56 0.091,57 0.388,58 5.404,59 2.28,60 10.515,61 2.912,62 0.364,63 0.591,64 11.002,65 3.404,66 39.07,67 4.631,68 0.383,69 0.674,70 14.139,71 4.217,72 28.241,73 6.071,74 0.308,75 0.619,76 13.54,77 4.165,78 37.042,79 6.073,80 0.455,81 0.529,82 13.58,83 3.896,84 40.865,85 5.922,86 0.184,87 0.4,88 9.761,89 3.426,90 20.591,91 4.781,92 0.335,93 0.261,94 9.835,95 2.454,96 49.567,97 3.166,98 0.463,99 0.116,100 7.309,101 1.193,102 55.449,103 1.62,104 6,105 21,106 0.336,107 0.694,108 0.788,109 0.803,110 0.803,111 0.803,112 2.795,113 0.899,114 -1.03,115 -1.13,116 -1.22,119 37,125 4,142 2,143 1,145 1,147 1,158 1,167 1,170 1,172 2,173 1,174 1,175 4,178 1,180 1,183 1,184 2,186 1,187 4,192 2,199 1,200 2,211 3,212 1,215 2,224 1,237 1,238 1,249 1,253 1,275 215,276 10.121,277 10.121,278 10.121,279 10.121,280 10.121,281 9.278,282 12.732,283 6.176,284 10.46,285 7.905,286 7.905,287 7.905,288 7.905,289 7.905,290 6.615,291 16.512,292 2.926,293 8.419,294 3.074,295 1.287,296 0.815,297 0.741,298 0.741,299 0.741,300 3.444,304 1,305 1,306 196,307 2.121,311 91.113,318 1.022,319 18.982,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 34,331 95,332 4.246,333 3.581,334 6.208,335 3.888,336 2.932,337 3.826,338 1.437,339 9.282,340 2.818,341 3.818,342 3.109,343 5.837,344 3.55,345 2.587,346 3.073,347 0.86,348 7.906,349 2.459,350 3.123,351 2.368,352 4.491,353 2.796,354 1.871,355 2.228,356 0.8,357 4.583,358 1.722,359 2.742,360 2.015,361 3.76,362 2.358,363 1.424,364 1.783,366 3.092,367 1.317,368 2.53,369 1.401,370 3.458,371 1.974,372 1,373 1.475,375 2.436,376 0.963,377 2.189,378 1.256,379 3.426,380 1.952,381 1,382 1.157,384 2.319,385 0.946,386 2,387 1.118,388 3.247,389 1.91,390 1,391 1,393 2.136,394 0.901,395 0.829,396 0.435,397 2.406,398 0.447,399 -0.494,400 -0.568,402 -1.162,403 -0.463,404 0.669,405 -0.329,406 2,407 0.23,408 -0.763,409 -0.968,411 -1.893,412 -0.735,413 0.41,414 -0.36,415 1.589,416 -0.02,417 -1,418 -1,420 -2,421 -0.846,422 0.205,423 -0.66,424 1.555,425 -0.05,426 -1,427 -1.25,428 -2.347,429 -0.946,431 -0.922,432 1.362,433 -0.149,434 -1,435 -1.431,436 -2.562,437 -0.98,438 -0.5,439 -1.482,440 1.008,441 -0.693,442 -1.664,443 -2,444 -0.4,445 -4.789,446 -1.599,447 -0.507,448 -1.635,449 1,450 -0.951,451 -1.893,452 -2.009,453 -0.4,454 -5.24,455 -1.8,456 -0.756,457 -1.714,458 0.456,459 -1.039,460 -2,461 -2.315,462 -0.86,463 -5.476,464 -1.813,465 6.8,466 0.453,467 0.315,468 0.021,469 18.25,470 1.217,471 8,472 0.533,473 10.25,474 0.683,475 9.242,476 0.616,477 17.2,478 0.637,479 11.41,480 0.761,481 3.852,482 0.257,483 3.419,484 0.228,485 0.098,487 0.279,493 0.862,494 1.603,495 0.754,496 1.287,497 0.723,498 1.039,499 0.973,500 1.078,501 0.945,502 0.931,503 0.469,504 0.915,505 0.935,506 1.027,507 1.008,508 0.948,509 0.658,510 0.975,511 0.884,512 1.235,513 1.054,514 1.19,515 0.986,516 1.164,517 0.508,518 0.688,519 0.837,520 0.835,521 0.674,522 0.911,523 0.739,524 1.135,525 0.944,526 1.344,527 0.71,528 1.227,529 1.878,530 0.933,531 1.314,532 1.084,533 2.364,534 1.081,535 2.082,536 0.172,537 1.389,538 0.229,539 2.918,540 0.595,541 2.5,543 1.556,544 0.688,545 0.413,546 0.486,547 0.182,548 0.066,549 0.041,551 1548,552 5298,553 2.032,554 44.4,556 10,558 1,559 1,564 1.532,565 1.915,566 2.758,567 -0.134,571 1,573 45.388,574 1.681,575 3.468,576 3.94,577 4.014,578 4.014,579 4.014,580 2.206,581 3.057,582 3.882,583 2.803,584 294.287,585 6.508,586 2407.97,588 1,591 128.382,592 1.338,593 3.843,594 0.156,596 0.074,597 0.034,598 0.026,599 0.035,600 0.018,601 0.011,602 0.02,604 0.375,605 0.67,606 1,607 0.909,608 58.214,609 -0.106,610 -0.356,611 0.033,612 -0.147,613 -0.074,614 -0.043,615 -0.04,616 0.056,617 -0.048,618 0.059,619 0.175,620 0.016,621 -0.117,622 0.024,623 -0.09,624 0.023,626 -0.013,627 -0.115,628 -0.232,629 -0.137,630 -0.211,631 -0.099,632 -0.182,633 0.29,634 0.259,635 0.138,636 0.094,637 0.125,638 0.07,639 0.014,640 -0.22,641 -0.015,642 -0.317,643 -0.009,644 -0.191,645 -0.364,646 -0.223,647 -0.208,648 -0.2,649 -0.446,650 -0.173,651 0.066,652 0.318,653 -0.077,654 0.479,655 -0.267,656 0.205,657 2.591,658 3.765,659 0.8,660 7.689,661 1.022,662 1.137,663 -0.197,664 0.039,665 0.636,666 2.833,667 3.091,668 3.296,669 3.466,670 3.664,671 3.526,672 3.555,673 3.367,674 3.219,675 2.944,676 3.986,677 0.623,678 208.24,679 2.833,680 4.317,681 5.13,682 5.969,683 6.804,684 7.647,685 8.489,686 9.334,687 10.179,688 11.025,689 7.4,695 1,699 1,704 3,705 1,709 2,711 6,720 1,726 1,731 27,733 7,735 16,737 28,738 10,739 5,742 1,746 2,747 2,761 6,762 4,766 1,771 1,775 1,778 1,781 12,782 5,783 1,784 5,790 2,794 1,795 3,805 1,812 2,838 1,839 1,840 2,848 15,853 1,854 4,856 1,859 1,870 11.1,872 1,873 1,874 1,877 7.833,878 4.683,879 3.389,880 1.549,881 1.303,882 1.228,883 0.905,884 3.064,885 7.003,886 3.045,887 3.512,888 3.975,889 4.426,890 4.904,891 4.909,892 5.13,893 4.888,894 4.817,895 4.66,896 1,897 20,898 5.525,899 -0.001,900 2.298,901 8.067,902 10.316,904 8.116,905 2.567,906 38.5,907 0.002,910 129.482,911 47.819,912 19.91,914 78.828,917 47.819,918 208.31,919 19.91,921 13.396,922 18.952,923 108.295,924 15.357,925 2.328,926 117.711,928 129.482,929 67.729,930 78.828,933 129.482,934 67.828,935 11,937 22.444,938 28.5,939 16.786,941 129.482,942 98.738,943 47.819,946 129.482,947 19.82,948 31.124,950 95.614,951 129.482,952 98.738,953 47.819,955 0.568,956 0.324,957 0.167,958 0.094,959 10,960 4,961 0.071,962 2,964 1,965 2.749,966 94.253,968 12,969 54.603,974 10.24,975 4.489,976 2.39,978 98.738,979 4.605,980 4.153,984 0.977,986 42.683,987 276.04,988 20,993 10.765,997 -0.924,999 27.604,1000 30.701,1001 0.354,1002 0.729,1003 0.829,1004 0.844,1005 0.844,1006 0.844,1007 4.241,1008 -0.494,1009 5.081,1010 2.136,1011 3.761,1012 4.19,1013 2.024,1014 5.82,1015 3.651,1016 5.386,1017 -0.763,1018 6.597,1019 -1.162,1020 3.219,1021 3.829,1022 0.325,1023 6.613,1024 3.091,1025 6.649,1026 -1,1027 8.22,1028 -1.893,1029 5.273,1030 6.209,1031 2.405,1032 9.667,1033 5.071,1034 7.948,1035 -1,1036 9.906,1037 -2,1038 5.565,1039 6.675,1040 0.268,1041 11.3,1042 5.351,1043 9.283,1044 -1,1045 11.632,1046 -2.347,1047 7.081,1048 8.551,1049 2.979,1050 13.832,1051 6.8,1052 10.641,1053 -1.664,1054 13.384,1055 -2.562,1056 7.763,1057 9.402,1058 0.188,1059 15.791,1060 7.467,1061 12.017,1062 -1.893,1063 15.154,1064 -4.789,1065 9.033,1066 11.043,1067 3.639,1068 18.128,1069 8.678,1070 2.932,1071 -2,1072 16.935,1073 -5.24,1074 9.907,1075 12.095,1076 0.125,1077 20.227,1078 9.529,1079 2.587,1080 9.282,1081 18.724,1082 -5.476,1083 11.063,1084 13.612,1085 4.337,1086 22.489,1087 10.633,1088 1.871,1089 7.906,1090 20.519,1091 3.826,1092 12.031,1093 14.777,1094 0.082,1095 24.651,1096 11.573,1097 1.424,1098 4.583,1099 22.318,1100 3.073,1101 13.135,1102 16.224,1103 5.05,1104 26.884,1105 12.63,1106 1,1107 3.092,1108 24.119,1109 2.228,1110 14.151,1111 17.457,1112 0.054,1113 29.075,1114 13.613,1115 1,1116 2.436,1117 25.923,1118 1.783,1119 15.231,1120 18.863,1121 5.77,1122 31.298,1123 14.651,1124 1,1125 2.319,1126 27.729,1127 1.475,1128 16.272,1129 20.137,1130 0.035,1131 33.504,1132 15.656,1133 1602,1134 3026,1135 10.633,1136 17.182,1137 23.798,1138 24.383,1139 24.103,1140 23.643,1141 23.629,1142 29.082,1143 6.193,1144 63.509,1145 22.249,1146 5.246,1147 5.581,1148 6.01,1149 4.991,1150 4.932,1151 6.826,1152 2.873,1153 15.568,1154 4.76,1155 6.185,1156 1.487,1157 1.524,1158 1.506,1159 1.478,1160 1.477,1161 1.818,1162 0.387,1163 3.969,1164 1.391,1165 3.941,1166 3.982,1167 3.892,1168 3.805,1169 7.475,1170 3.821,1171 3.688,1172 3.73,1173 3.578,1174 3.485,1175 6.351,1176 3.498,1177 3.234,1178 3.229,1179 3.193,1180 2.941,1181 4.865,1182 2.969,1183 3.111,1184 3.206,1185 2.866,1186 2.897,1187 4.592,1188 2.91,1189 2.928,1190 2.989,1191 2.802,1192 2.742,1193 3.844,1194 2.742,1195 2.627,1196 2.702,1197 2.457,1198 2.318,1199 3.698,1200 2.345,1201 2.406,1202 2.485,1203 2.26,1204 2.084,1205 3.474,1206 2.121,1207 2.094,1208 2.271,1209 1.791,1210 1.756,1211 3.356,1212 1.691,1213 0.265,1214 0.224,1215 0.388,1216 0.243,1217 0.183,1218 4.246,1219 0.239,1220 3.581,1221 0.09,1222 6.208,1223 0.58,1224 3.888,1225 0.176,1226 2.932,1227 3.826,1228 1.437,1229 9.282,1230 2.818,1231 1.868,1232 1.834,1233 1.981,1234 2.038,1235 1.212,1236 2.023,1237 1.631,1238 1.581,1239 1.831,1240 1.848,1241 0.934,1242 1.842,1243 1.153,1244 1.064,1245 1.513,1246 1.395,1247 0.825,1248 1.429,1249 1.016,1250 1.013,1251 1.162,1252 1.376,1253 0.286,1254 1.305,1255 0.888,1256 0.829,1257 1.131,1258 1.142,1259 0.13,1260 1.145,1261 0.567,1262 0.485,1263 0.948,1264 0.891,1266 0.92,1267 0.301,1268 0.225,1269 0.785,1270 0.667,1272 0.664,1273 0.172,1274 0.002,1275 0.644,1276 0.563,1278 0.65,1279 3.497,1281 4.762,1283 6.24,1285 7.805,1287 9.412,1294 8.837,1295 2.851,1297 5.213,1300 2.024,1305 16.821,1306 45.388,1307 93.627,1308 106.382,1309 108.382,1310 108.382,1311 108.382,1312 21.16,1313 5.7,1314 62.66,1315 62.66,1316 12,1317 11.586,1318 3,1319 2.322,1320 23.531,1321 35,1322 30,1323 0.342,1324 105.775,1325 183.75,1326 249.85,1327 1664,1329 10.673,1330 0.712,1331 0.548,1332 10.673,1333 8.219,1334 7.271,1335 0.454,1336 0.3,1337 4.679,1338 6.815,1339 4.624,1340 3.777,1341 7.271,1342 4.792,1343 6.329,1344 0.301,1345 0.157,1346 6.329,1347 3.307,1348 5.015,1349 0.193,1350 0.09,1351 5.015,1352 2.328,1353 3.906,1354 0.126,1355 0.049,1356 3.906,1357 1.517,1358 3.186,1359 0.084,1360 0.026,1361 3.186,1362 0.991,1363 0.511,1364 46.809,1365 0.307,1366 15.079,1367 1.008,1368 74,1369 276.911,1370 85.497,1371 255.297,1372 333.38,1373 238,1374 84,1375 227.585,1376 94.753,1377 226.308,1378 328.99,1379 212,1380 4.444}
{0 CHEMBL449623,1 1.623,2 19.121,3 3.442,4 11.849,5 208.66,6 7.551,7 0.159,8 4.776,9 4.877,10 4.333,11 4.233,12 5.937,13 4.235,14 5.37,15 5.533,16 4.744,17 4.688,18 6.538,19 4.671,20 5.681,21 5.856,22 4.934,23 4.94,24 6.79,25 4.902,26 5.903,27 6.095,28 5.061,29 5.053,30 7.027,31 5.014,32 5.999,33 6.191,34 5.112,35 5.072,36 7.223,37 5.039,38 5.997,39 6.187,40 5.048,41 5.069,42 7.22,43 5.024,44 6.003,45 6.198,46 5.001,47 5.081,48 7.226,49 5.013,50 6.052,51 6.281,52 4.879,53 5.035,54 7.167,55 4.947,56 0.419,57 1.507,58 22.077,59 10.315,60 39.655,61 12.901,62 1.155,63 2.482,64 45.362,65 17.446,66 150.771,67 23.042,68 1.367,69 3.241,70 63.11,71 24.264,72 180.206,73 32.056,74 1.961,75 3.755,76 82.629,77 28.633,78 255.986,79 38.462,80 3.008,81 3.865,82 94.454,83 30.007,84 357.681,85 40.176,86 3.13,87 3.847,88 94.775,89 29.695,90 390.069,91 39.474,92 2.847,93 3.901,94 94.096,95 31.106,96 389.524,97 41.76,98 3.015,99 3.853,100 104.67,101 31.38,102 416.77,103 43.575,104 216,105 94,106 0.232,107 0.551,108 0.779,109 0.861,110 0.895,111 0.895,112 4.08,113 0.926,114 -3.1,115 -3.1,116 -2.98,119 37.4,120 2,121 10,122 1,123 2,124 3,125 3,127 2,136 4,137 1,138 1,142 2,144 2,146 2,156 2,158 3,166 4,167 1,170 1,172 17,173 1,174 4,175 16,178 1,180 2,183 18,184 1,186 3,187 27,190 1,192 4,195 16,196 1,198 8,199 28,204 4,207 13,208 1,211 9,212 22,215 3,217 3,220 17,223 9,224 16,225 1,227 2,229 3,232 20,236 8,237 22,240 2,242 1,245 18,249 2,250 23,253 1,255 2,258 12,259 1,262 5,263 24,268 3,271 9,272 1,275 10210,276 38.047,277 38.047,278 38.047,279 38.047,280 38.047,281 35.304,282 49.533,283 21.955,284 38.713,285 30.947,286 30.947,287 30.947,288 30.947,289 30.947,290 26.316,291 61.76,292 10.223,293 31.867,294 5.119,295 2.888,296 1.295,297 0.727,298 0.484,299 0.484,300 4.775,306 2363,307 6.442,310 252.982,311 545.847,314 454.951,315 418.208,318 3.146,319 118.159,322 0.5,323 0.33,324 0.5,325 0.8,326 1,327 0.33,329 0.5,330 131.5,331 1109,332 5.022,333 4.258,334 8.266,335 4.843,336 3.849,337 4.631,338 2.612,339 16.383,340 3.827,341 4.669,342 4.071,343 7.865,344 4.578,345 3.575,346 4.409,347 2.455,348 14.589,349 3.583,350 4.654,351 3.808,352 6.845,353 4.192,354 3.226,355 3.839,356 2.341,357 11.339,358 3.115,359 4.183,360 3.719,361 6.696,362 3.835,363 2.849,364 3.631,365 2.178,366 10.486,367 2.819,368 4.058,369 3.639,370 6.588,371 3.79,372 2.789,373 3.498,374 1.674,375 10.001,376 2.778,377 4.019,378 3.596,379 6.174,380 3.621,381 2.674,382 3.185,383 1.148,384 8.884,385 2.531,386 3.759,387 3.486,388 5.945,389 3.484,390 2.529,391 2.961,392 0.86,393 8.065,394 2.401,395 3.634,396 3.219,397 5.764,398 3.269,399 2.303,400 2.943,401 0.8,402 7.341,403 2.232,404 3.609,405 3.06,406 5.387,407 3.234,408 2.235,409 2.822,410 0.8,411 6.409,412 2.209,413 3.55,414 2.762,415 5.367,416 3.166,417 2.214,418 2.71,419 0.525,420 6.227,421 2.103,422 3.373,423 2.657,424 5.16,425 3.155,426 2.197,427 2.426,428 5.842,429 2.073,430 3.189,431 2.633,432 4.998,433 3.054,434 2.081,435 2.238,436 5.532,437 2.007,438 3.034,439 2.543,440 4.87,441 2.793,442 1.829,443 2.202,445 5.181,446 1.748,447 2.958,448 2.306,449 4.658,450 2.668,451 1.636,452 1.951,454 4.675,455 1.685,456 2.936,457 2.004,458 4.461,459 2.606,460 1.611,461 1.933,463 4.129,464 1.591,465 26.333,466 0.454,467 1.893,468 0.033,469 61.5,470 1.06,471 23.5,472 0.405,473 38,474 0.655,475 84.519,476 1.457,477 67.267,478 0.629,479 69.775,480 1.203,481 11.581,482 0.2,483 15.956,484 0.275,485 0.209,486 0.038,487 0.368,493 0.632,494 1.356,495 0.751,496 1.235,497 0.58,498 1.065,499 0.677,500 1.04,501 0.753,502 0.975,503 0.444,504 0.89,505 0.771,506 1.152,507 0.867,508 1.142,509 0.702,510 1.051,511 0.904,512 1.105,513 0.918,514 1.13,515 0.907,516 1.049,517 1.021,518 1.014,519 0.971,520 1.047,521 0.935,522 1.007,523 1.135,524 0.967,525 1.098,526 1.013,527 1.079,528 1.045,529 0.994,530 1.087,531 1.118,532 1.174,533 0.99,534 1.185,535 1.114,536 0.949,537 1.091,538 0.996,539 1.114,540 1.037,541 13.5,542 0.612,543 9.111,544 6.535,545 6.256,546 4.157,547 2.794,548 1.737,549 1.162,550 0.81,551 67617,552 216732,553 1.993,554 45.8,555 15,556 19,557 1,559 2,560 6,561 6,564 1.889,565 1.803,566 4.051,567 0.126,573 173.624,574 1.623,575 3.854,576 5.446,577 6.015,578 6.258,579 6.258,580 3.622,581 5.755,582 5.817,583 4.349,584 7189.62,585 10.427,586 159671,591 721.337,592 1.723,593 5.746,594 0.214,595 0.007,596 0.097,597 0.059,598 0.052,599 0.034,600 0.024,601 0.016,602 0.012,603 0.009,604 0.525,605 0.33,606 0.5,607 1.591,608 361.992,609 0.062,610 -0.049,611 0.053,612 -0.015,613 -0.004,614 0.003,615 0.078,616 0.13,617 0.128,618 0.141,619 0.149,620 0.152,621 -0.003,622 -0.038,623 0.028,624 -0.03,625 0.004,627 -0.022,628 -0.055,629 0.024,630 -0.076,631 -0.056,632 -0.026,633 0.03,634 -0.02,635 0.016,636 -0.031,637 0.002,638 -0.014,639 -0.055,640 0.029,641 -0.106,642 -0.003,643 -0.053,644 -0.059,645 -0.013,646 -0.086,647 -0.148,648 -0.141,649 -0.007,650 -0.176,651 -0.113,652 -0.029,653 -0.081,654 -0.013,655 -0.092,656 -0.035,657 2.655,658 7.447,659 0.448,660 106.835,661 1.021,662 1.134,663 1.869,664 3.494,665 0.633,666 4.159,667 4.554,668 4.898,669 5.252,670 5.565,671 5.808,672 6.021,673 6.198,674 6.332,675 6.428,676 10.776,677 0.617,678 807.94,679 4.159,680 5.753,681 6.645,682 7.58,683 8.509,684 9.46,685 10.408,686 11.37,687 12.329,688 13.298,689 4.7,692 1,695 1,699 2,700 1,703 2,704 2,705 2,707 1,709 2,711 10,725 1,726 1,731 107,733 20,734 1,735 63,737 112,738 40,739 6,740 4,741 2,742 8,746 6,747 13,752 2,753 2,754 2,755 5,756 1,758 12,761 17,762 23,763 1,766 10,768 1,771 7,773 1,775 10,781 49,782 17,783 2,784 18,790 5,794 0.333,795 13,811 2,812 4,815 2,816 2,824 2,828 1,829 2,831 1,832 4,836 1,838 2,839 1,840 2,844 5,848 58,853 2,854 13,856 3,858 3,859 2,860 2,870 12.1,872 2,873 5,874 1,875 3,876 2,877 32.167,878 20.733,879 12.653,880 6.697,881 2.951,882 1.294,883 0.904,884 13.056,885 12.976,886 4.369,887 4.936,888 5.488,889 6.047,890 6.547,891 6.933,892 7.286,893 7.531,894 7.682,895 7.847,896 1,897 111,898 22.044,900 10.136,901 8.126,902 40.379,904 34.321,905 2.626,906 152.333,910 553.242,911 155.579,912 51.112,914 304.799,917 155.579,918 858.041,919 51.112,920 50.996,921 43.197,922 18.952,923 286.844,924 60.753,925 11.771,926 541.471,927 50.747,928 553.242,929 206.691,930 304.799,933 482.615,934 313.679,935 61.747,937 59.212,938 102.615,939 44.863,941 553.242,942 355.911,943 155.579,946 553.242,947 82.253,948 85.245,950 343.992,951 553.242,952 355.911,953 155.579,955 0.592,956 0.355,957 0.198,958 0.115,959 44,960 24,961 0.161,962 18,963 4,964 1.308,965 5.765,966 711.153,967 0.308,968 26,969 337.763,974 43.272,975 17.5,976 8.177,977 0.26,978 350.241,979 2.885,980 7.524,982 4.775,984 0.329,986 85.367,987 1064.73,988 78,990 -0.565,993 89.165,995 1.51,997 -3.092,999 109.203,1000 121.348,1001 0.241,1002 0.572,1003 0.808,1004 0.892,1005 0.928,1006 0.928,1007 5.685,1008 2.303,1009 6.698,1010 8.065,1011 5.242,1012 5.626,1013 3.918,1014 7.662,1015 5.194,1016 6.917,1017 2.235,1018 8.362,1019 7.341,1020 5.13,1021 5.672,1022 3.552,1023 9.075,1024 5.08,1025 8.274,1026 2.214,1027 10.147,1028 6.409,1029 7.008,1030 7.806,1031 5.282,1032 12.274,1033 6.932,1034 9.67,1035 2.197,1036 12.009,1037 6.227,1038 7.732,1039 8.675,1040 5.573,1041 14.572,1042 7.667,1043 11.105,1044 2.081,1045 13.925,1046 5.842,1047 9.168,1048 10.367,1049 6.891,1050 17.419,1051 9.087,1052 12.568,1053 1.829,1054 15.879,1055 5.532,1056 10.243,1057 11.586,1058 7.473,1059 20.026,1060 10.172,1061 14.054,1062 1.636,1063 17.862,1064 5.181,1065 11.561,1066 13.14,1067 8.604,1068 22.799,1069 11.484,1070 3.849,1071 1.611,1072 19.868,1073 4.675,1074 12.778,1075 14.514,1076 9.335,1077 25.511,1078 12.706,1079 3.575,1080 16.383,1081 21.892,1082 4.129,1083 14.075,1084 16.026,1085 10.372,1086 28.275,1087 14.002,1088 3.226,1089 14.589,1090 23.93,1091 4.631,1092 15.349,1093 17.471,1094 11.187,1095 31.026,1096 15.277,1097 2.849,1098 11.339,1099 25.98,1100 4.409,1101 16.651,1102 18.974,1103 12.175,1104 33.794,1105 16.578,1106 2.789,1107 10.486,1108 28.038,1109 3.839,1110 17.951,1111 20.452,1112 13.038,1113 36.561,1114 17.877,1115 2.674,1116 10.001,1117 30.104,1118 3.631,1119 19.262,1120 21.955,1121 14.002,1122 39.335,1123 19.186,1124 2.529,1125 8.884,1126 32.176,1127 3.498,1128 20.574,1129 23.451,1130 14.893,1131 42.11,1132 20.496,1133 64816,1134 116392,1135 39.994,1136 67.688,1137 97.755,1138 101.484,1139 103.572,1140 95.98,1141 95.923,1142 115.574,1143 30.788,1144 298.753,1145 93.429,1146 6.022,1147 6.258,1148 8.04,1149 5.936,1150 5.849,1151 7.631,1152 4.612,1153 25.386,1154 5.827,1155 41.353,1156 1.552,1157 1.611,1158 1.644,1159 1.523,1160 1.523,1161 1.835,1162 0.489,1163 4.742,1164 1.483,1165 4.15,1166 4.17,1167 4.116,1168 4.058,1169 7.815,1170 4.064,1171 4.09,1172 4.111,1173 4.066,1174 3.944,1175 7.475,1176 3.97,1177 3.887,1178 3.913,1179 3.824,1180 3.776,1181 7.437,1182 3.783,1183 3.772,1184 3.825,1185 3.644,1186 3.628,1187 7.43,1188 3.62,1189 3.744,1190 3.798,1191 3.635,1192 3.581,1193 7.427,1194 3.578,1195 3.61,1196 3.657,1197 3.574,1198 3.434,1199 7.424,1200 3.445,1201 3.589,1202 3.62,1203 3.515,1204 3.304,1205 6.999,1206 3.329,1207 3.522,1208 3.544,1209 3.434,1210 3.282,1211 6.459,1212 3.313,1213 0.08,1214 0.068,1215 0.131,1216 0.077,1217 0.061,1218 5.022,1219 0.074,1220 4.258,1221 0.041,1222 8.266,1223 0.26,1224 4.843,1225 0.061,1226 3.849,1227 4.631,1228 2.612,1229 16.383,1230 3.827,1231 2.032,1232 2.021,1233 2.115,1234 2.127,1235 1.512,1236 2.12,1237 1.941,1238 1.916,1239 2.022,1240 2.104,1241 1.346,1242 2.066,1243 1.79,1244 1.754,1245 2.005,1246 1.961,1247 1.311,1248 1.974,1249 1.737,1250 1.69,1251 1.927,1252 1.918,1253 1.245,1254 1.92,1255 1.708,1256 1.655,1257 1.903,1258 1.887,1259 1.126,1260 1.891,1261 1.58,1262 1.537,1263 1.805,1264 1.776,1265 1.118,1266 1.78,1267 1.536,1268 1.479,1269 1.778,1270 1.751,1271 1.016,1272 1.763,1273 1.429,1274 1.377,1275 1.667,1276 1.749,1277 0.848,1278 1.704,1279 4.844,1281 6.221,1282 3.045,1283 7.799,1284 5.416,1285 9.495,1286 7.545,1287 11.268,1289 8.439,1294 20.817,1295 4.089,1297 17.798,1299 -2.688,1300 3.544,1301 -2.456,1305 65.989,1306 173.624,1307 412.351,1308 582.75,1309 643.563,1310 669.563,1311 669.563,1312 255.867,1313 10.025,1314 244.72,1315 244.72,1316 34,1317 13.778,1318 4.392,1319 4,1320 101.319,1321 352,1322 470,1323 0.132,1324 397.97,1325 739.55,1326 962.807,1327 439767,1329 42.103,1330 0.726,1331 0.574,1332 42.103,1333 33.278,1334 27.537,1335 0.437,1336 0.309,1337 19.078,1338 25.94,1339 18.581,1340 15.298,1341 27.537,1342 19.447,1343 26.014,1344 0.277,1345 0.17,1346 26.014,1347 15.975,1348 21.887,1349 0.165,1350 0.092,1351 21.887,1352 12.242,1353 18.831,1354 0.099,1355 0.049,1356 18.831,1357 9.233,1358 15.696,1359 0.06,1360 0.025,1361 15.696,1362 6.572,1363 0.209,1364 177.265,1365 0.158,1366 47.938,1367 0.358,1368 314,1369 1101.62,1370 356.399,1371 1017.95,1372 1336.23,1373 938,1374 384,1375 958.413,1376 427.188,1377 946.539,1378 1389.55,1379 882,1380 6.759}
{0 CHEMBL450243,1 1.597,2 7.647,3 1.273,4 1.62,5 63.993,6 7.161,7 0.333,8 3.597,9 3.709,10 3.128,11 3.02,12 4.662,13 3.024,14 4.168,15 4.351,16 3.413,17 3.341,18 5.248,19 3.328,20 4.324,21 4.546,22 3.411,23 3.445,24 5.322,25 3.399,26 4.25,27 4.454,28 3.308,29 3.39,30 5.349,31 3.33,32 4.231,33 4.457,34 3.233,35 3.344,36 5.346,37 3.252,38 4.099,39 4.326,40 3.011,41 3.237,42 4.989,43 3.114,44 4.079,45 4.332,46 2.789,47 2.906,48 5.088,49 2.826,50 3.691,51 3.918,52 2.386,53 2.522,54 4.85,55 2.443,56 0.04,57 0.46,58 7.25,59 2.908,60 4.441,61 3.955,62 0.385,63 0.688,64 14.84,65 4.284,66 27.873,67 6.148,68 0.388,69 0.77,70 17.766,71 5.047,72 27.06,73 7.504,74 0.279,75 0.724,76 16.067,77 4.929,78 32.695,79 7.167,80 0.484,81 0.676,82 16.276,83 5.038,84 44.177,85 7.347,86 0.131,87 0.597,88 13.57,89 5.028,90 15.172,91 7.205,92 0.354,93 0.471,94 14.842,95 3.589,96 36.216,97 5.392,98 0.5,99 0.308,100 10.37,101 2.164,102 41.453,103 3.2,104 8,105 23,106 0.304,107 0.605,108 0.763,109 0.807,110 0.807,111 0.807,112 2.908,113 0.961,114 -2.71,115 -2.73,116 -2.65,119 36.4,120 1,125 5,142 2,143 1,145 1,147 1,158 1,172 2,174 2,175 6,183 1,186 1,187 6,199 2,207 1,211 5,212 1,220 2,224 1,237 3,249 2,275 302,276 11.698,277 11.698,278 11.698,279 11.698,280 11.698,281 10.908,282 14.797,283 7.283,284 12.227,285 8.864,286 8.864,287 8.864,288 8.864,289 8.864,290 7.589,291 18.123,292 3.376,293 9.562,294 3.448,295 1.867,296 1.038,297 0.811,298 0.811,299 0.811,300 3.564,304 1,305 1,306 268,307 2.55,311 108.269,318 1.197,319 18.39,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 38,331 130,332 4.26,333 3.661,334 6.227,335 3.903,336 2.945,337 3.835,338 1.674,339 9.344,340 2.832,341 3.849,342 3.112,343 5.925,344 3.584,345 2.633,346 3.104,347 0.86,348 8.244,349 2.477,350 3.164,351 2.374,352 4.553,353 2.839,354 1.917,355 2.276,356 0.8,357 4.763,358 1.758,359 2.779,360 2.036,361 4.082,362 2.451,363 1.541,364 1.819,366 3.588,367 1.391,368 2.589,369 1.802,370 3.524,371 2.14,372 1.228,373 1.609,375 2.7,376 1.114,377 2.192,378 1.401,379 3.429,380 1.952,381 1,382 1.162,384 2.383,385 0.946,386 2.062,387 1.256,388 3.247,389 1.918,390 1,391 1,393 2.136,394 0.909,395 2,396 1.117,397 2.887,398 1.757,399 0.769,400 0.932,402 1.301,403 0.746,404 0.83,405 0.276,406 2.405,407 0.452,408 -0.486,409 -0.558,411 -0.856,412 -0.455,413 0.691,414 -0.328,415 2,416 0.397,417 -0.569,418 -0.628,420 -1.175,421 -0.54,422 0.619,423 -0.36,424 1.603,425 0.23,426 -0.787,427 -1,428 -1.9,429 -0.797,430 0.21,431 -0.587,432 1.555,433 -0.05,434 -1,435 -1.104,436 -2.347,437 -0.846,439 -0.91,440 1.437,441 -0.149,442 -1,443 -1.277,445 -2.554,446 -0.946,447 -0.231,448 -0.943,449 1.234,450 -0.516,451 -1.501,452 -1.844,454 -3.447,455 -1.411,456 -0.5,457 -1.503,458 1.008,459 -0.874,460 -1.768,461 -2,462 -0.4,463 -4.789,464 -1.612,465 7.8,466 0.459,467 0.277,468 0.016,469 19.5,470 1.147,471 8,472 0.471,473 11.5,474 0.676,475 11.935,476 0.702,477 19.8,478 0.6,479 12.571,480 0.739,481 4.033,482 0.237,483 4.276,484 0.252,485 0.107,487 0.244,493 0.799,494 1.703,495 0.788,496 1.436,497 0.592,498 1.155,499 1.17,500 1.052,501 0.981,502 0.921,503 0.667,504 0.901,505 1.122,506 0.941,507 0.965,508 0.842,509 0.792,510 0.854,511 1.126,512 1.223,513 1.095,514 1.153,515 1.507,516 1.117,517 0.753,518 0.783,519 1.003,520 0.92,521 1.253,522 1.008,523 0.602,524 1.344,525 0.948,526 1.439,527 0.639,528 1.306,529 1.541,530 0.926,531 1.142,532 0.929,533 1.737,534 0.945,535 1.736,536 0.467,537 1.464,538 0.566,539 2.036,540 0.889,541 2.5,542 0.012,543 1.778,544 0.813,545 0.413,546 0.514,547 0.242,548 0.094,549 0.053,550 0.026,551 2226,552 6408,553 2.028,554 48.5,556 12,558 1,561 3,564 1.571,565 1.925,566 2.98,567 -0.692,569 1,571 1,573 52.691,574 1.597,575 3.177,576 4.006,577 4.234,578 4.234,579 4.234,580 2.469,581 3.852,582 4.057,583 3.033,584 412.468,585 6.867,586 3721.73,588 1,591 166.465,592 1.261,593 4.03,594 0.139,595 0.012,596 0.077,597 0.035,598 0.021,599 0.029,600 0.017,601 0.009,602 0.009,603 0.009,604 0.357,605 0.67,606 1,607 1.325,608 70.287,609 -0.029,610 -0.418,611 0.073,612 -0.244,613 -0.017,614 -0.091,615 -0.043,616 0.047,617 -0.003,618 0.065,619 0.073,620 0.045,621 -0.125,622 0.093,623 0.007,624 0.12,625 -0.001,626 0.101,627 -0.172,628 -0.17,629 -0.149,630 -0.147,631 -0.148,632 -0.141,633 0.182,634 0.236,635 -0.045,636 0.057,637 -0.008,638 -0.039,639 0.049,640 -0.363,641 -0.054,642 -0.366,643 -0.015,644 -0.254,645 -0.241,646 -0.096,647 -0.092,648 -0.068,649 -0.242,650 -0.046,651 -0.042,652 0.382,653 -0.351,654 0.233,655 -0.141,656 -0.066,657 1.968,658 4.586,659 0.706,660 10.9,661 1.011,662 1.137,663 1.483,664 2.2,665 0.627,666 2.944,667 3.178,668 3.401,669 3.584,670 3.761,671 3.664,672 3.738,673 3.638,674 3.526,675 3.296,676 4.544,677 0.602,678 236.3,679 2.944,680 4.419,681 5.231,682 6.066,683 6.901,684 7.745,685 8.587,686 9.434,687 10.281,688 11.129,689 6.1,695 1,699 1,704 3,705 1,709 2,711 6,721 1,726 1,731 33,733 7,735 18,737 34,738 12,739 5,742 1,746 2,747 2,752 1,761 6,762 6,766 1,771 1,775 1,778 1,781 16,782 5,784 5,790 2,794 1,795 3,805 1,812 2,839 1,840 2,844 1,848 17,854 5,856 2,859 1,870 9.1,873 1,874 1,875 1,877 8.833,878 6.15,879 3.972,880 2.124,881 1.286,882 1.217,883 0.919,884 4.205,885 7.21,886 3.135,887 3.57,888 4.047,889 4.496,890 4.958,891 5.004,892 5.261,893 5.147,894 5.094,895 4.904,896 1,897 23,898 6.283,900 2.536,901 7.824,902 11.966,904 9.228,905 2.324,906 39.5,907 0.002,910 188.338,911 67.519,912 19.91,914 47.145,917 67.519,918 235.482,919 19.91,920 8.825,921 17.989,922 18.952,923 71.893,924 26.357,925 2.328,926 176.567,928 188.338,929 87.428,930 47.145,933 153.024,934 71.458,935 11,937 35.861,938 34.782,939 16.786,941 188.338,942 67.055,943 67.519,946 188.338,947 30.693,948 39.949,950 63.93,951 188.338,952 67.055,953 67.519,955 0.552,956 0.323,957 0.176,958 0.094,959 10,960 4,961 0.118,962 4,964 1,965 2.965,966 111.133,968 12,969 65.487,974 12.179,975 5.869,976 3.097,978 67.055,979 5.072,980 4.268,984 1.349,987 322.911,988 22,993 11.586,997 -0.301,999 33.371,1000 37.531,1001 0.317,1002 0.63,1003 0.794,1004 0.839,1005 0.839,1006 0.839,1007 4.324,1008 0.769,1009 5.165,1010 2.136,1011 3.85,1012 4.248,1013 2.202,1014 5.9,1015 3.723,1016 5.448,1017 -0.486,1018 6.673,1019 1.301,1020 3.219,1021 3.829,1022 0.325,1023 6.676,1024 3.091,1025 6.702,1026 -0.569,1027 8.291,1028 -0.856,1029 5.352,1030 6.249,1031 2.906,1032 9.758,1033 5.124,1034 7.995,1035 -0.787,1036 9.975,1037 -1.175,1038 5.602,1039 6.7,1040 0.268,1041 11.393,1042 5.38,1043 9.328,1044 -1,1045 11.701,1046 -1.9,1047 7.152,1048 8.582,1049 3.832,1050 13.939,1051 6.846,1052 10.686,1053 -1,1054 13.455,1055 -2.347,1056 7.821,1057 9.434,1058 0.188,1059 15.904,1060 7.51,1061 12.063,1062 -1.501,1063 15.227,1064 -2.554,1065 9.105,1066 11.072,1067 4.831,1068 18.252,1069 8.727,1070 2.945,1071 -1.768,1072 17.012,1073 -3.447,1074 9.977,1075 12.129,1076 0.125,1077 20.355,1078 9.583,1079 2.633,1080 9.344,1081 18.805,1082 -4.789,1083 11.14,1084 13.643,1085 5.852,1086 22.625,1087 10.69,1088 1.917,1089 8.244,1090 20.603,1091 3.835,1092 12.111,1093 14.814,1094 0.082,1095 24.79,1096 11.636,1097 1.541,1098 4.763,1099 22.406,1100 3.104,1101 13.218,1102 16.258,1103 6.88,1104 27.03,1105 12.697,1106 1.228,1107 3.588,1108 24.212,1109 2.276,1110 14.237,1111 17.496,1112 0.054,1113 29.223,1114 13.685,1115 1,1116 2.7,1117 26.02,1118 1.819,1119 15.321,1120 18.901,1121 7.91,1122 31.451,1123 14.727,1124 1,1125 2.383,1126 27.829,1127 1.609,1128 16.365,1129 20.179,1130 0.035,1131 33.66,1132 15.738,1133 2297,1134 3970,1135 12.019,1136 20.705,1137 26.233,1138 27.26,1139 26.859,1140 26.065,1141 26.065,1142 31.475,1143 6.669,1144 68.918,1145 24.348,1146 5.26,1147 5.661,1148 6.029,1149 5.006,1150 4.945,1151 6.835,1152 3.349,1153 15.705,1154 4.775,1155 6.909,1156 1.457,1157 1.514,1158 1.492,1159 1.448,1160 1.448,1161 1.749,1162 0.37,1163 3.829,1164 1.353,1165 3.946,1166 3.986,1167 3.897,1168 3.808,1169 7.433,1170 3.825,1171 3.695,1172 3.737,1173 3.587,1174 3.487,1175 4.875,1176 3.502,1177 3.504,1178 3.564,1179 3.359,1180 3.278,1181 4.594,1182 3.278,1183 3.117,1184 3.206,1185 3.008,1186 2.941,1187 4.451,1188 2.91,1189 3.111,1190 3.138,1191 2.866,1192 2.837,1193 3.846,1194 2.885,1195 2.926,1196 2.987,1197 2.799,1198 2.742,1199 3.744,1200 2.742,1201 2.619,1202 2.697,1203 2.44,1204 2.315,1205 3.541,1206 2.338,1207 2.44,1208 2.55,1209 2.253,1210 2.125,1211 3.474,1212 2.137,1213 0.237,1214 0.203,1215 0.346,1216 0.217,1217 0.164,1218 4.26,1219 0.213,1220 3.661,1221 0.093,1222 6.227,1223 0.519,1224 3.903,1225 0.157,1226 2.945,1227 3.835,1228 1.674,1229 9.344,1230 2.832,1231 1.87,1232 1.837,1233 1.982,1234 2.04,1235 1.213,1236 2.024,1237 1.635,1238 1.585,1239 1.843,1240 1.86,1241 0.963,1242 1.853,1243 1.47,1244 1.401,1245 1.784,1246 1.718,1247 0.911,1248 1.74,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.825,1254 1.429,1255 0.962,1256 0.943,1257 1.159,1258 1.286,1259 0.287,1260 1.225,1261 0.888,1262 0.829,1263 1.116,1264 1.139,1265 0.141,1266 1.143,1267 0.569,1268 0.483,1269 0.995,1270 0.893,1271 0.111,1272 0.93,1273 0.422,1274 0.303,1275 0.842,1276 0.777,1278 0.815,1279 3.611,1281 4.86,1283 6.326,1285 7.885,1287 9.489,1289 1.794,1295 3.392,1297 10.237,1300 2.103,1305 19.875,1306 52.691,1307 104.85,1308 132.2,1309 139.71,1310 139.71,1311 139.71,1312 23.922,1313 5.924,1314 51.66,1315 51.66,1316 12,1317 11.688,1318 3,1319 2.322,1320 28.369,1321 46,1322 48,1323 0.316,1324 124.959,1325 218.35,1326 296.661,1327 2267,1329 12.088,1330 0.711,1331 0.582,1332 12.088,1333 9.887,1334 8.309,1335 0.462,1336 0.32,1337 5.637,1338 7.78,1339 5.528,1340 4.547,1341 8.309,1342 5.769,1343 6.851,1344 0.298,1345 0.162,1346 6.851,1347 3.723,1348 5.621,1349 0.194,1350 0.089,1351 5.621,1352 2.592,1353 4.508,1354 0.129,1355 0.049,1356 4.508,1357 1.725,1358 3.488,1359 0.083,1360 0.027,1361 3.488,1362 1.116,1363 0.48,1364 53.368,1365 0.288,1366 17.131,1367 0.904,1368 82,1369 296.497,1370 94.937,1371 268.985,1372 357.62,1373 254,1374 93,1375 248.009,1376 105.415,1377 244.503,1378 358.45,1379 230,1380 4.292}
{0 CHEMBL450722,1 1.634,2 19.105,3 3.514,4 12.35,5 204.634,6 7.634,7 0.161,8 4.753,9 4.851,10 4.316,11 4.209,12 5.931,13 4.215,14 5.337,15 5.494,16 4.724,17 4.662,18 6.521,19 4.647,20 5.651,21 5.826,22 4.915,23 4.906,24 6.763,25 4.873,26 5.863,27 6.047,28 5.039,29 5.014,30 7.015,31 4.982,32 5.962,33 6.152,34 5.074,35 5.028,36 7.187,37 4.997,38 5.951,39 6.142,40 5.001,41 5.018,42 7.161,43 4.973,44 5.958,45 6.158,46 4.953,47 5.011,48 7.194,49 4.948,50 5.959,51 6.18,52 4.811,53 4.956,54 7.091,55 4.875,56 0.452,57 1.461,58 21.234,59 10.06,60 44.457,61 12.353,62 1.138,63 2.405,64 43.084,65 17.065,66 154.036,67 22.226,68 1.409,69 3.136,70 60.945,71 23.355,72 180.945,73 30.678,74 1.99,75 3.61,76 78.442,77 27.273,78 263.118,79 36.132,80 3.033,81 3.712,82 90.758,83 28.719,84 360.446,85 38.253,86 3.049,87 3.676,88 90.052,89 28.316,90 363.603,91 37.634,92 2.929,93 3.668,94 91.005,95 29.092,96 402.778,97 39.143,98 2.912,99 3.543,100 94.654,101 28.475,102 397.86,103 38.923,104 189,105 92,106 0.235,107 0.568,108 0.791,109 0.876,110 0.896,111 0.898,112 4.063,113 0.92,114 -2.93,115 -2.93,116 -2.83,119 37.5,120 2,121 10,122 1,123 2,124 2,125 3,127 2,136 4,138 2,142 2,144 2,146 2,154 1,156 1,158 3,166 4,167 1,170 1,172 17,173 1,174 4,175 15,178 1,180 3,183 18,184 1,186 3,187 24,191 1,192 7,195 16,196 1,198 8,199 24,204 8,207 13,208 1,211 8,212 18,215 4,217 7,220 17,223 5,224 16,225 1,227 6,229 3,232 20,236 6,237 21,240 4,242 2,245 18,249 2,250 21,253 1,255 4,258 12,259 1,262 5,263 22,268 5,271 9,272 1,275 9824,276 37.599,277 37.599,278 37.599,279 37.599,280 37.599,281 34.636,282 48.732,283 21.83,284 38.276,285 30.463,286 30.463,287 30.463,288 30.463,289 30.463,290 25.658,291 59.176,292 10.164,293 31.435,294 5.066,295 2.753,296 1.198,297 0.606,298 0.471,299 0.452,300 4.759,306 2324,307 6.285,310 247.807,311 535.835,314 446.039,315 410.71,318 3.182,319 116.688,322 0.5,323 0.33,324 0.5,325 0.8,326 1,327 0.33,329 0.5,330 129.5,331 1089,332 5.028,333 4.239,334 8.266,335 4.84,336 3.849,337 4.631,338 2.612,339 16.382,340 3.816,341 4.669,342 4.07,343 7.865,344 4.578,345 3.575,346 4.437,347 2.455,348 14.589,349 3.583,350 4.656,351 3.808,352 6.845,353 4.192,354 3.226,355 3.846,356 2.341,357 11.339,358 3.115,359 4.171,360 3.719,361 6.693,362 3.815,363 2.828,364 3.631,365 2.178,366 10.463,367 2.788,368 4.07,369 3.599,370 6.584,371 3.75,372 2.787,373 3.49,374 1.674,375 9.981,376 2.68,377 4.058,378 3.596,379 6.174,380 3.621,381 2.674,382 3.293,383 1.148,384 8.884,385 2.531,386 3.723,387 3.219,388 5.931,389 3.466,390 2.504,391 2.961,392 0.86,393 7.999,394 2.387,395 3.612,396 3.171,397 5.757,398 3.241,399 2.24,400 2.872,401 0.8,402 7.307,403 2.223,404 3.558,405 2.996,406 5.387,407 3.223,408 2.235,409 2.711,410 0.6,411 6.409,412 2.19,413 3.55,414 2.663,415 5.367,416 3.166,417 2.212,418 2.708,419 0.525,420 6.137,421 2.102,422 3.292,423 2.634,424 5.155,425 3.07,426 2.106,427 2.354,428 5.559,429 2.016,430 3.072,431 2.523,432 4.872,433 2.814,434 1.859,435 2.238,436 5.184,437 1.765,438 3.034,439 2.283,440 4.659,441 2.74,442 1.771,443 2.085,445 4.678,446 1.705,447 2.959,448 2.233,449 4.461,450 2.666,451 1.636,452 1.953,454 4.129,455 1.679,456 2.939,457 1.858,458 4.369,459 2.605,460 1.611,461 1.928,463 3.684,464 1.589,465 25.833,466 0.453,467 1.787,468 0.031,469 60.75,470 1.066,471 23.5,472 0.412,473 37.25,474 0.654,475 81.842,476 1.436,477 65.967,478 0.634,479 67.155,480 1.178,481 11.481,482 0.201,483 15.662,484 0.275,485 0.194,486 0.039,487 0.36,493 0.669,494 1.3,495 0.753,496 1.2,497 0.628,498 1.04,499 0.664,500 1.077,501 0.753,502 1.016,503 0.453,504 0.921,505 0.777,506 1.136,507 0.853,508 1.123,509 0.712,510 1.03,511 0.94,512 1.124,513 0.945,514 1.152,515 0.928,516 1.071,517 1.02,518 1.009,519 0.982,520 1.044,521 0.905,522 1.013,523 1.089,524 0.986,525 1.093,526 1.038,527 0.987,528 1.066,529 1.01,530 1.027,531 1.089,532 1.106,533 1.001,534 1.122,535 1.153,536 0.956,537 1.137,538 1.003,539 1.149,540 1.061,541 12.5,542 0.559,543 8.889,544 6.41,545 6.016,546 3.962,547 2.651,548 1.553,549 1.1,550 0.719,551 65432,552 212861,553 2.003,554 45.2,555 15,556 16,558 1,559 3,560 6,561 6,564 1.885,565 1.819,566 4.044,567 0.69,573 169.934,574 1.634,575 3.947,576 5.502,577 6.094,578 6.229,579 6.248,580 3.606,581 5.693,582 5.791,583 4.348,584 6939.62,585 10.375,586 153263,591 696.846,592 1.713,593 5.726,594 0.202,595 0.007,596 0.097,597 0.059,598 0.051,599 0.034,600 0.024,601 0.015,602 0.012,603 0.009,604 0.51,605 0.33,606 0.5,607 1.596,608 354.678,609 0.046,610 -0.004,611 0.044,612 0.016,613 -0.016,614 0.018,615 0.085,616 0.089,617 0.117,618 0.109,619 0.148,620 0.124,621 -0.004,622 -0.028,623 0.041,624 -0.017,625 -0.002,626 0.018,627 -0.04,628 -0.071,629 -0.005,630 -0.097,631 -0.063,632 -0.054,633 0.026,634 -0.02,635 0.006,636 -0.031,637 0.002,638 -0.02,639 -0.04,640 0.007,641 -0.105,642 -0.028,643 -0.047,644 -0.077,645 -0.014,646 -0.047,647 -0.106,648 -0.091,650 -0.119,651 -0.138,652 -0.025,653 -0.128,654 -0.016,655 -0.115,656 -0.061,657 2.634,658 6.703,659 0.456,660 105.892,661 1.022,662 1.134,663 1.698,664 2.882,665 0.634,666 4.143,667 4.533,668 4.883,669 5.236,670 5.545,671 5.787,672 5.999,673 6.17,674 6.303,675 6.389,676 10.777,677 0.62,678 793.91,679 4.143,680 5.733,681 6.627,682 7.561,683 8.49,684 9.441,685 10.39,686 11.352,687 12.311,688 13.28,689 4.8,695 1,698 1,699 2,700 1,703 2,704 2,705 2,707 1,709 2,711 10,725 1,726 1,731 104,733 20,734 1,735 62,737 109,738 39,739 6,740 4,741 2,742 8,746 6,747 13,752 2,753 2,754 2,755 5,756 1,758 12,761 17,762 22,763 1,766 10,768 1,771 6,773 1,774 1,775 10,781 47,782 17,783 3,784 18,790 5,794 0.333,795 13,811 2,812 4,815 2,816 2,823 1,824 1,828 1,829 2,831 2,832 4,838 3,839 1,840 2,844 4,848 57,853 3,854 13,856 3,858 3,859 1,860 2,870 12.5,872 3,873 4,874 1,875 3,876 2,877 31.333,878 19.767,879 12.486,880 6.506,881 3.257,882 1.326,883 0.897,884 12.817,885 13.247,886 4.357,887 4.929,888 5.484,889 6.061,890 6.578,891 6.987,892 7.364,893 7.648,894 7.842,895 8.013,896 1,897 109,898 21.624,900 9.941,901 8.137,902 39.572,904 33.646,905 2.637,906 150.333,910 517.928,911 142.049,912 64.773,914 322.337,917 142.049,918 840.266,919 64.773,920 42.6,921 34.149,922 18.952,923 320.067,924 74.415,926 506.157,927 50.747,928 517.928,929 206.822,930 322.337,933 447.302,934 331.217,935 61.747,937 72.873,938 80.038,939 53.911,941 517.928,942 387.11,943 142.049,946 517.928,947 77.119,948 73.724,950 378.316,951 517.928,952 387.11,953 142.049,955 0.59,956 0.355,957 0.199,958 0.115,959 43,960 23,961 0.165,962 18,963 4,964 1.308,965 5.749,966 691.12,967 0.308,968 26,969 330.475,974 42.298,975 17.271,976 7.951,977 0.264,978 381.44,979 2.887,980 7.52,982 4.772,984 0.334,986 128.05,987 1047.09,988 77,990 -0.565,993 74.407,995 1.288,996 4.391,997 -2.681,999 106.32,1000 117.933,1001 0.244,1002 0.589,1003 0.821,1004 0.91,1005 0.93,1006 0.933,1007 5.668,1008 2.24,1009 6.676,1010 7.999,1011 5.22,1012 5.619,1013 3.913,1014 7.641,1015 5.166,1016 6.901,1017 2.235,1018 8.34,1019 7.307,1020 5.094,1021 5.651,1022 3.541,1023 9.063,1024 5.037,1025 8.26,1026 2.212,1027 10.127,1028 6.409,1029 6.986,1030 7.81,1031 5.28,1032 12.265,1033 6.9,1034 9.658,1035 2.106,1036 11.993,1037 6.137,1038 7.71,1039 8.672,1040 5.571,1041 14.568,1042 7.632,1043 11.096,1044 1.859,1045 13.912,1046 5.559,1047 9.152,1048 10.38,1049 6.891,1050 17.416,1051 9.057,1052 12.561,1053 1.771,1054 15.869,1055 5.184,1056 10.23,1057 11.596,1058 7.473,1059 20.024,1060 10.142,1061 14.05,1062 1.636,1063 17.855,1064 4.678,1065 11.551,1066 13.159,1067 8.604,1068 22.798,1069 11.456,1070 3.849,1071 1.611,1072 19.863,1073 4.129,1074 12.77,1075 14.532,1076 9.335,1077 25.511,1078 12.678,1079 3.575,1080 16.382,1081 21.888,1082 3.684,1083 14.069,1084 16.05,1085 10.372,1086 28.275,1087 13.974,1088 3.226,1089 14.589,1090 23.927,1091 4.631,1092 15.344,1093 17.495,1094 11.187,1095 31.026,1096 15.249,1097 2.828,1098 11.339,1099 25.978,1100 4.437,1101 16.647,1102 19.001,1103 12.175,1104 33.794,1105 16.549,1106 2.787,1107 10.463,1108 28.037,1109 3.846,1110 17.948,1111 20.48,1112 13.038,1113 36.561,1114 17.847,1115 2.674,1116 9.981,1117 30.103,1118 3.631,1119 19.259,1120 21.986,1121 14.002,1122 39.334,1123 19.154,1124 2.504,1125 8.884,1126 32.175,1127 3.49,1128 20.572,1129 23.482,1130 14.893,1131 42.109,1132 20.463,1133 62631,1134 113281,1135 39.589,1136 65.926,1137 95.81,1138 98.956,1139 101.548,1140 94.151,1141 94.145,1142 114.109,1143 30.388,1144 292.201,1145 91.35,1146 6.021,1147 6.239,1148 8.128,1149 5.932,1150 5.849,1151 7.631,1152 4.612,1153 25.384,1154 5.816,1155 39.526,1156 1.545,1157 1.596,1158 1.638,1159 1.519,1160 1.518,1161 1.84,1162 0.49,1163 4.713,1164 1.473,1165 4.149,1166 4.169,1167 4.116,1168 4.061,1169 7.815,1170 4.066,1171 4.09,1172 4.111,1173 4.065,1174 3.944,1175 7.474,1176 3.97,1177 3.883,1178 3.905,1179 3.821,1180 3.775,1181 7.435,1182 3.781,1183 3.763,1184 3.815,1185 3.639,1186 3.62,1187 7.43,1188 3.611,1189 3.743,1190 3.797,1191 3.626,1192 3.58,1193 7.425,1194 3.578,1195 3.596,1196 3.625,1197 3.573,1198 3.387,1199 6.999,1200 3.401,1201 3.554,1202 3.598,1203 3.478,1204 3.307,1205 6.533,1206 3.329,1207 3.521,1208 3.544,1209 3.426,1210 3.284,1211 6.392,1212 3.314,1213 0.081,1214 0.068,1215 0.133,1216 0.078,1217 0.062,1218 5.028,1219 0.075,1220 4.239,1221 0.042,1222 8.266,1223 0.264,1224 4.84,1225 0.062,1226 3.849,1227 4.631,1228 2.612,1229 16.382,1230 3.816,1231 2.035,1232 2.024,1233 2.117,1234 2.126,1235 1.517,1236 2.121,1237 1.941,1238 1.916,1239 2.022,1240 2.104,1241 1.334,1242 2.066,1243 1.779,1244 1.746,1245 1.997,1246 1.944,1247 1.311,1248 1.959,1249 1.735,1250 1.687,1251 1.927,1252 1.917,1253 1.247,1254 1.92,1255 1.708,1256 1.655,1257 1.901,1258 1.886,1259 1.127,1260 1.889,1261 1.574,1262 1.532,1263 1.804,1264 1.754,1265 1.118,1266 1.768,1267 1.49,1268 1.44,1269 1.719,1270 1.749,1271 0.959,1272 1.72,1273 1.429,1274 1.376,1275 1.667,1276 1.724,1277 0.848,1278 1.704,1279 4.828,1281 6.201,1282 3.045,1283 7.778,1284 5.416,1285 9.476,1286 7.545,1287 11.252,1289 6.736,1294 32.542,1295 3.891,1297 17.712,1299 -2.589,1300 1.825,1301 -2.4,1305 64.462,1306 169.934,1307 410.515,1308 572.259,1309 633.826,1310 647.826,1311 649.826,1312 246.131,1313 9.989,1314 257,1315 257,1316 34,1317 13.76,1318 4.392,1319 4,1320 98.608,1321 346,1322 468,1323 0.131,1324 388.378,1325 722.25,1326 939.402,1327 423947,1329 41.233,1330 0.723,1331 0.567,1332 41.233,1333 32.317,1334 27.143,1335 0.438,1336 0.307,1337 18.664,1338 25.582,1339 18.232,1340 14.978,1341 27.143,1342 19.02,1343 25.38,1344 0.276,1345 0.168,1346 25.38,1347 15.42,1348 21.553,1349 0.165,1350 0.091,1351 21.553,1352 11.909,1353 18.575,1354 0.099,1355 0.048,1356 18.575,1357 8.963,1358 15.402,1359 0.06,1360 0.025,1361 15.402,1362 6.368,1363 0.207,1364 174.705,1365 0.159,1366 47.387,1367 0.353,1368 308,1369 1086.03,1370 350.038,1371 1004.31,1372 1320,1373 926,1374 377,1375 948.455,1376 419.356,1377 935.003,1378 1373.51,1379 873,1380 5}
{0 CHEMBL450786,1 1.709,2 15.419,3 5.69,4 32.372,5 171.59,6 8.333,7 0.354,8 4.444,9 4.548,10 4.198,11 4.062,12 5.463,13 4.009,14 5.04,15 5.2,16 4.583,17 4.506,18 6.166,19 4.438,20 5.321,21 5.513,22 4.683,23 4.666,24 6.394,25 4.564,26 5.408,27 5.607,28 4.83,29 4.684,30 6.545,31 4.57,32 5.401,33 5.596,34 4.765,35 4.644,36 6.664,37 4.572,38 5.397,39 5.589,40 4.677,41 4.71,42 6.491,43 4.618,44 5.514,45 5.744,46 4.543,47 4.69,48 6.624,49 4.552,50 5.394,51 5.657,52 4.505,53 4.555,54 6.445,55 4.424,56 0.103,57 1.119,58 16.315,59 7.664,60 19.103,61 9.196,62 0.432,63 1.915,64 33.013,65 13.56,66 60.785,67 16.999,68 0.543,69 2.361,70 50.142,71 18.564,72 72.916,73 22.885,74 0.8,75 2.44,76 71.194,77 21.227,78 111.978,79 25.272,80 1.257,81 2.442,82 60.205,83 19.039,84 174.294,85 22.646,86 0.613,87 2.549,88 50.627,89 19.7,90 91.259,91 24.792,92 1.002,93 2.683,94 63.53,95 22.144,96 174.246,97 28.851,98 1.048,99 2.376,100 61.829,101 20.224,102 139.649,103 26.655,104 65,105 72,106 0.26,107 0.587,108 0.76,109 0.844,110 0.855,111 0.855,112 3.788,113 1.062,114 -5.08,115 -4.97,116 -4.66,119 41.6,120 2,121 4,125 5,127 1,135 1,136 1,142 6,143 4,144 4,152 2,158 2,172 10,174 2,175 7,178 1,180 7,183 14,186 1,187 11,192 5,195 11,199 13,202 2,204 1,207 14,211 1,212 17,215 1,216 1,217 2,220 11,224 9,227 2,229 5,232 19,236 2,237 7,240 1,242 3,245 19,249 2,250 6,253 4,258 13,263 7,268 7,271 13,275 3944,276 28.471,277 28.471,278 28.471,279 28.471,280 28.471,281 25.597,282 34.756,283 16.142,284 29.237,285 23.629,286 23.629,287 23.629,288 23.629,289 23.629,290 19.074,291 41.308,292 7.618,293 24.995,294 4.558,295 2.406,296 1.27,297 0.715,298 0.643,299 0.643,300 4.49,301 2,305 1,306 1458,307 4.416,310 471.68,311 277.559,314 190.395,318 2.428,319 63.153,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 92.667,331 663,332 4.876,333 5.264,334 7.324,335 4.322,336 3.428,337 4.726,338 3.272,339 12.597,340 3.246,341 4.628,342 3.784,343 6.944,344 4.262,345 3.289,346 4.334,347 1.2,348 11.598,349 3.15,350 4.473,351 3.655,352 6.722,353 4.114,354 3.143,355 4.056,356 1.058,357 10.934,358 2.888,359 4.283,360 3.404,361 6.371,362 3.849,363 2.902,364 3.942,365 0.8,366 9.6,367 2.753,368 4.024,369 3.118,370 6.347,371 3.802,372 2.881,373 3.237,374 0.293,375 9.523,376 2.591,377 3.682,378 2.898,379 5.655,380 3.436,381 2.498,382 3.014,384 7.442,385 2.347,386 3.545,387 2.862,388 5.449,389 3.226,390 2.237,391 2.648,393 6.92,394 2.197,395 3.348,396 2.623,397 5.326,398 3.058,399 2.054,400 2.481,402 6.371,403 2.049,404 3.232,405 2.592,406 4.891,407 2.773,408 1.879,409 2.465,411 5.282,412 1.752,413 3.106,414 2.569,415 4.874,416 2.707,417 1.79,418 2.283,420 5.104,421 1.66,422 3.08,423 2.202,424 4.841,425 2.687,426 1.716,427 2.199,428 5.043,429 1.525,430 3.007,431 1.951,432 4.711,433 2.546,434 1.556,435 2.125,436 4.558,437 1.441,438 2.869,439 1.559,440 4.53,441 2.381,442 1.408,443 2.023,445 4.077,446 1.377,447 2.696,448 1.497,449 3.977,450 2.377,451 1.381,452 1.708,454 3.347,455 1.363,456 2.382,457 1.484,458 3.823,459 2.255,460 1.264,461 1.329,463 2.872,464 1.249,465 21.195,466 0.493,467 1.4,468 0.033,469 52,470 1.209,471 24,472 0.558,473 28,474 0.651,475 49.793,476 1.158,477 46.605,478 0.605,479 46.707,480 1.086,481 9.535,482 0.222,483 10.995,484 0.256,485 0.177,486 0.039,487 0.368,493 0.56,494 1.296,495 0.667,496 1.043,497 0.552,498 0.91,499 0.642,500 1.122,501 0.724,502 0.908,503 0.494,504 0.873,505 0.982,506 1.043,507 0.913,508 0.977,509 0.862,510 0.984,511 1.085,512 1.082,513 0.911,514 1.016,515 1.133,516 0.994,517 1.237,518 0.86,519 0.859,520 0.853,521 1.374,522 0.831,523 0.871,524 1.14,525 0.765,526 1.027,527 0.903,528 1.033,529 0.935,530 1.033,531 0.855,532 0.963,533 0.942,534 1.076,535 0.754,536 0.708,537 0.664,538 0.654,539 0.788,540 0.705,541 10,542 0.311,543 6.444,544 4.778,545 2.982,546 2.146,547 1.342,548 0.884,549 0.79,550 0.592,551 33014,552 90226,553 2.078,554 44.2,555 3,556 18,559 2,560 3,561 8,564 1.818,565 1.904,566 3.861,567 0.137,573 131.569,574 1.709,575 3.861,576 4.997,577 5.552,578 5.624,579 5.624,580 3.327,581 5.101,582 5.397,583 4.079,584 3683.76,585 9.554,586 66496.7,591 482.543,592 1.634,593 5.334,594 0.208,595 0.006,596 0.09,597 0.065,598 0.041,599 0.028,600 0.017,601 0.014,602 0.013,603 0.01,604 0.492,605 0.17,606 0.75,607 0.578,608 247.671,609 0.024,610 -0.094,611 0.094,612 -0.011,613 -0.063,614 0.036,615 0.1,616 0.012,617 0.057,618 0.059,619 0.153,620 0.072,621 -0.09,622 0.01,623 -0.016,624 0.001,625 -0.008,626 -0.019,627 -0.014,628 -0.083,629 0.119,630 -0.006,631 -0.03,632 -0.015,633 0.031,634 0.16,635 0.063,636 0.106,637 0.028,638 0.106,639 -0.013,640 -0.101,641 -0.022,642 -0.091,643 0.006,644 -0.074,646 -0.076,647 -0.043,648 -0.061,649 0.038,650 -0.099,651 0.138,652 0.245,653 0.201,654 0.284,655 0.092,656 0.297,657 4.753,658 6.841,659 0.698,660 55.549,661 1.008,662 1.121,663 3.847,664 14.797,665 0.693,666 3.892,667 4.29,668 4.605,669 4.898,670 5.063,671 5.193,672 5.361,673 5.537,674 5.649,675 5.762,676 8.971,677 0.652,678 641.67,679 3.892,680 5.485,681 6.368,682 7.283,683 8.182,684 9.098,685 10.003,686 10.92,687 11.83,688 12.748,689 5.2,692 1,696 2,697 1,704 6,706 1,709 10,711 17,719 1,730 2,731 77,733 22,734 2,735 48,737 82,738 32,739 16,740 6,741 6,742 4,746 6,747 7,748 2,752 2,755 5,758 5,761 20,762 12,766 5,769 1,771 4,773 1,775 3,781 34,782 7,783 2,784 11,785 3,790 4,794 0.833,795 4,807 1,808 2,811 4,812 2,815 1,826 1,831 1,832 1,836 1,840 5,842 1,844 2,845 2,848 43,851 1,854 9,855 1,858 1,859 2,869 2,870 5.2,873 4,877 22.583,878 14.436,879 9.097,880 4.873,881 3.851,882 1.419,883 1.015,884 8.528,885 13.046,886 4.135,887 4.773,888 5.325,889 5.879,890 6.343,891 6.678,892 7.08,893 7.5,894 7.849,895 8.212,896 1,897 73,898 16.413,900 7.661,901 7.84,902 30.87,904 26.987,905 2.34,906 100.639,910 376.675,911 151.65,912 41.045,913 78.297,914 94.603,916 6.046,917 145.604,918 549.575,919 41.045,920 17.65,921 40.596,922 72.38,923 104.012,924 47.146,925 5.513,926 376.675,927 78.297,928 376.675,929 186.649,930 94.603,931 84.343,933 282.506,934 188.772,937 78.156,938 99.017,939 93.819,941 376.675,942 135.648,943 229.947,945 6.046,946 376.675,947 61.62,948 90.233,949 34.796,950 172.9,951 376.675,952 135.648,953 229.947,955 0.603,956 0.364,957 0.196,958 0.097,959 37,960 18,961 0.085,962 7,963 1,964 1.067,965 5.025,966 466.603,967 0.067,968 30,969 221.329,973 1,974 30.417,975 12.056,976 5.927,978 118.862,979 9.418,981 3.312,984 4.698,986 34.796,987 742.27,988 61.5,991 -3.836,993 53.709,995 1.702,997 -0.011,999 77.578,1000 86.282,1001 0.273,1002 0.616,1003 0.797,1004 0.886,1005 0.897,1006 0.897,1007 5.435,1008 2.054,1009 6.409,1010 6.92,1011 4.977,1012 5.462,1013 3.35,1014 7.307,1015 4.87,1016 6.68,1017 1.879,1018 8.032,1019 6.371,1020 4.796,1021 5.568,1022 0.57,1023 8.473,1024 4.581,1025 8.039,1026 1.79,1027 9.761,1028 5.282,1029 6.691,1030 7.74,1031 5.467,1032 11.572,1033 6.469,1034 9.438,1035 1.716,1036 11.552,1037 5.104,1038 7.321,1039 8.664,1040 0.801,1041 13.549,1042 6.995,1043 10.871,1044 1.556,1045 13.383,1046 5.043,1047 8.734,1048 10.387,1049 7.81,1050 16.215,1051 8.39,1052 12.33,1053 1.408,1054 15.242,1055 4.558,1056 9.696,1057 11.647,1058 1.074,1059 18.501,1060 9.265,1061 13.807,1062 1.381,1063 17.12,1064 4.077,1065 10.952,1066 13.227,1067 10.178,1068 21.037,1069 10.487,1070 3.428,1071 1.264,1072 19.014,1073 3.347,1074 12.049,1075 14.628,1076 1.404,1077 23.443,1078 11.514,1079 3.289,1080 12.597,1081 20.921,1082 2.872,1083 13.255,1084 16.16,1085 12.548,1086 25.943,1087 12.678,1088 3.143,1089 11.598,1090 22.837,1091 4.726,1092 14.406,1093 17.623,1094 1.768,1095 28.401,1096 13.77,1097 2.902,1098 10.934,1099 24.761,1100 4.334,1101 15.6,1102 19.142,1103 14.919,1104 30.894,1105 14.917,1106 2.881,1107 9.6,1108 26.691,1109 4.056,1110 16.776,1111 20.635,1112 2.15,1113 33.376,1114 16.04,1115 2.498,1116 9.523,1117 28.627,1118 3.942,1119 17.969,1120 22.153,1121 17.29,1122 35.872,1123 17.185,1124 2.237,1125 7.442,1126 30.568,1127 3.237,1128 19.158,1129 23.662,1130 2.538,1131 38.367,1132 18.323,1133 30629,1134 51227,1135 31.441,1136 53.387,1137 74.329,1138 78.513,1139 76.857,1140 74.255,1141 73.906,1142 93.194,1143 13.247,1144 227.757,1145 69.848,1146 5.876,1147 7.264,1148 6.94,1149 5.444,1150 5.428,1151 7.726,1152 6.545,1153 20.199,1154 5.246,1155 25.287,1156 1.549,1157 1.636,1158 1.601,1159 1.547,1160 1.54,1161 1.942,1162 0.276,1163 4.745,1164 1.455,1165 4.157,1166 4.16,1167 4.747,1168 4.15,1169 7.714,1170 4.081,1171 4.033,1172 4.047,1173 4.07,1174 3.944,1175 7.431,1176 3.936,1177 3.925,1178 3.971,1179 4.038,1180 3.853,1181 7.426,1182 3.849,1183 3.877,1184 3.913,1185 3.864,1186 3.742,1187 6.999,1188 3.741,1189 3.758,1190 3.818,1191 3.778,1192 3.671,1193 5.005,1194 3.62,1195 3.72,1196 3.704,1197 3.613,1198 3.59,1199 4.824,1200 3.579,1201 3.343,1202 3.364,1203 3.582,1204 3.242,1205 4.68,1206 3.23,1207 3.199,1208 3.291,1209 3.309,1210 3.019,1211 4.632,1212 2.996,1213 0.102,1214 0.11,1215 0.153,1216 0.09,1217 0.071,1218 4.876,1219 0.098,1220 5.264,1221 0.068,1222 7.324,1223 0.262,1224 4.322,1225 0.068,1226 3.428,1227 4.726,1228 3.272,1229 12.597,1230 3.246,1231 2.008,1232 2.025,1233 1.989,1234 2.044,1235 1.32,1236 2.09,1237 1.868,1238 1.853,1239 1.937,1240 1.926,1241 1.29,1242 1.94,1243 1.745,1244 1.72,1245 1.91,1246 1.918,1247 1.211,1248 1.912,1249 1.681,1250 1.642,1251 1.86,1252 1.84,1253 1.125,1254 1.834,1255 1.642,1256 1.588,1257 1.854,1258 1.82,1259 1.102,1260 1.832,1261 1.577,1262 1.507,1263 1.795,1264 1.751,1265 1.002,1266 1.793,1267 1.503,1268 1.495,1269 1.762,1270 1.704,1271 0.908,1272 1.732,1273 1.485,1274 1.428,1275 1.581,1276 1.619,1277 0.87,1278 1.651,1279 4.575,1281 5.953,1282 3.714,1283 7.506,1284 6.075,1285 9.14,1286 8.148,1287 10.819,1289 3.762,1290 12.486,1295 7.905,1296 2.825,1299 0.203,1300 4.467,1305 50.216,1306 131.569,1307 297.285,1308 384.768,1309 427.523,1310 433.033,1311 433.033,1312 112.729,1313 9.195,1314 106.34,1315 114.72,1316 32,1317 13.259,1318 4.524,1319 3.858,1320 63.889,1321 232,1322 227,1323 0.132,1324 312.122,1325 554.35,1326 753.339,1327 164385,1328 2.6,1329 30.466,1330 0.709,1331 0.616,1332 31.716,1333 26.503,1334 20.53,1335 0.428,1336 0.354,1337 14.647,1338 18.601,1339 14.048,1340 11.535,1341 21.928,1342 16.997,1343 19.798,1344 0.275,1345 0.201,1346 21.84,1347 14.449,1348 17.02,1349 0.172,1350 0.113,1351 18.801,1352 11.163,1353 14.553,1354 0.109,1355 0.065,1356 16.363,1357 8.651,1358 10.719,1359 0.068,1360 0.036,1361 12.558,1362 5.727,1363 0.21,1364 141.861,1365 0.178,1366 38.019,1367 0.356,1368 240,1369 676.165,1370 324.704,1371 735.054,1372 978.49,1373 678,1374 291,1375 646.854,1376 376.432,1377 709.299,1378 1047.31,1379 666,1380 5}
{0 CHEMBL451905,1 1.49,2 13.244,3 1.274,4 1.624,5 147.276,6 7.171,8 4.467,9 4.566,10 3.973,11 3.936,12 5.58,13 3.926,14 5.08,15 5.245,16 4.408,17 4.396,18 6.2,19 4.367,20 5.405,21 5.57,22 4.623,23 4.673,24 6.518,25 4.627,26 5.627,27 5.816,28 4.757,29 4.805,30 6.698,31 4.753,32 5.749,33 5.936,34 4.869,35 4.836,36 6.959,37 4.803,38 5.769,39 5.951,40 4.84,41 4.838,42 7.047,43 4.802,44 5.777,45 5.967,46 4.716,47 4.819,48 7.056,49 4.741,50 5.778,51 6.029,52 4.465,53 4.676,54 6.884,55 4.561,56 0.156,57 1.06,58 17.485,59 8.239,60 27.551,61 10.261,62 0.788,63 1.775,64 35.669,65 13.897,66 102.676,67 18.256,68 0.983,69 2.382,70 49.721,71 19.269,72 151.279,73 25.151,74 1.131,75 2.835,76 63.616,77 23.03,78 181.58,79 30.827,80 2.02,81 3.007,82 74.513,83 24.043,84 260.475,85 32.255,86 2.294,87 3.033,88 76.786,89 23.78,90 328.077,91 31.649,92 2.283,93 3.039,94 77.185,95 24.683,96 335.561,97 33.405,98 2.157,99 2.82,100 81.218,101 23.262,102 311.605,103 33.528,104 169,105 67,106 0.229,107 0.542,108 0.82,109 0.891,110 0.891,111 0.891,112 3.742,113 0.958,114 -2.24,115 -2.28,116 -2.25,119 37.5,120 3,121 7,122 1,123 2,124 2,125 2,127 2,136 4,137 1,138 1,156 2,158 3,167 1,170 1,172 14,173 1,174 2,175 13,178 1,180 2,183 17,184 1,186 1,187 18,190 1,192 4,195 16,196 1,198 2,199 19,204 4,207 12,208 1,211 4,212 21,215 3,217 3,220 13,223 5,224 13,225 1,227 2,229 3,232 13,236 8,237 18,240 2,242 1,245 10,249 2,250 11,253 1,255 2,258 5,259 1,262 3,263 12,268 2,271 6,272 1,275 3557,276 26.426,277 26.426,278 26.426,279 26.426,280 26.426,281 25.06,282 35.269,283 15.185,284 26.87,285 21.597,286 21.597,287 21.597,288 21.597,289 21.597,290 19.114,291 44.392,292 7.069,293 22.176,294 4.832,295 2.792,296 0.987,297 0.522,298 0.522,299 0.522,300 4.423,306 1138,307 5.431,310 76.158,311 232.092,314 127.212,315 256.954,318 1.969,319 86.948,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.33,329 0.52,330 92.5,331 543,332 5.022,333 4.258,334 8.266,335 4.843,336 3.849,337 4.409,338 2.455,339 16.383,340 3.827,341 4.654,342 4.071,343 7.865,344 4.578,345 3.575,346 3.839,347 2.341,348 14.589,349 3.583,350 4.183,351 3.683,352 6.696,353 3.834,354 2.847,355 3.498,356 2.178,357 10.485,358 2.819,359 4.019,360 3.627,361 6.588,362 3.79,363 2.789,364 3.184,365 1.674,366 10.001,367 2.777,368 3.734,369 3.596,370 5.941,371 3.441,372 2.492,373 2.932,374 1.148,375 8.029,376 2.355,377 3.569,378 3.483,379 5.762,380 3.251,381 2.275,382 2.732,383 0.86,384 7.319,385 2.226,386 3.55,387 3.057,388 5.361,389 3.201,390 2.224,391 2.71,392 0.8,393 6.117,394 2.14,395 3.369,396 2.762,397 5.102,398 3.155,399 2.197,400 2.421,401 0.525,402 5.735,403 2.072,404 3.167,405 2.653,406 4.989,407 2.968,408 1.991,409 2.183,411 5.181,412 1.926,413 2.955,414 2.543,415 4.658,416 2.767,417 1.785,418 1.944,420 4.939,421 1.733,422 2.919,423 2.304,424 4.624,425 2.663,426 1.617,427 1.912,428 4.604,429 1.681,430 2.641,431 2.004,432 4.282,433 2.53,434 1.539,435 1.611,436 3.488,437 1.516,438 2.456,439 1.752,440 4.117,441 2.27,442 1.308,443 1.408,445 3.206,446 1.246,447 2.386,448 1.708,449 3.825,450 2.034,451 1.102,452 1.253,454 2.651,455 1.012,456 2.131,457 1.569,458 3.776,459 1.757,460 0.79,461 0.908,463 1.704,464 0.753,465 18.733,466 0.457,467 1.492,468 0.036,469 38,470 0.927,471 12,472 0.293,473 26,474 0.634,475 59.442,476 1.45,477 48.467,478 0.606,479 40.847,480 0.996,481 7.082,482 0.173,483 12.184,484 0.297,485 0.258,486 0.053,487 0.368,493 0.743,494 1.385,495 0.814,496 1.287,497 0.635,498 1.102,499 0.709,500 0.968,501 0.765,502 0.943,503 0.47,504 0.872,505 0.866,506 1.131,507 0.942,508 1.116,509 0.799,510 1.059,511 0.902,512 1.155,513 0.921,514 1.141,515 0.903,516 1.053,517 1.046,518 1.083,519 0.947,520 1.046,521 0.94,522 0.983,523 1.22,524 1.03,525 1.093,526 1.01,527 1.186,528 1.014,529 1.066,530 1.174,531 1.195,532 1.202,533 1.087,534 1.23,535 1.065,536 0.933,537 1.037,538 0.927,539 1.036,540 0.967,541 11,542 0.3,543 6.667,544 5.229,545 5.226,546 3.448,547 2.371,548 1.406,549 0.791,550 0.478,551 21703,552 67035,553 1.94,554 48.8,555 13,556 12,557 1,559 2,560 7,561 4,564 1.814,565 1.732,566 3.504,567 0.161,573 119.198,574 1.49,575 3.53,576 5.335,577 5.8,578 5.8,579 5.8,580 3.092,581 5.144,582 5.312,583 3.772,584 3093.17,585 9.445,586 49905.9,591 505.754,592 1.786,593 5.226,594 0.25,595 0.008,596 0.1,597 0.065,598 0.058,599 0.036,600 0.025,601 0.018,602 0.013,603 0.01,604 0.583,605 0.33,606 0.63,607 1.986,608 226.383,609 -0.052,610 -0.087,611 0.032,612 -0.029,613 -0.041,614 0.014,615 0.076,616 0.198,617 0.144,618 0.179,619 0.123,620 0.184,621 -0.033,622 -0.001,623 -0.025,624 0.004,625 -0.028,626 -0.006,627 -0.048,628 -0.077,629 0.016,630 -0.07,631 -0.076,632 -0.02,633 0.024,634 -0.055,635 0.044,636 -0.031,637 -0.007,638 0.004,639 -0.06,641 -0.084,642 -0.014,643 -0.051,644 -0.048,645 0.002,646 -0.153,647 -0.206,648 -0.196,649 -0.013,650 -0.25,651 -0.065,652 -0.021,653 -0.025,654 -0.004,655 -0.05,656 -0.004,657 2.543,658 6.991,659 0.415,660 52.105,661 1.015,662 1.131,663 1.01,664 1.02,665 0.625,666 3.807,667 4.22,668 4.564,669 4.949,670 5.308,671 5.58,672 5.805,673 6.014,674 6.146,675 6.227,676 7.417,677 0.602,678 573.7,679 3.807,680 5.407,681 6.304,682 7.256,683 8.199,684 9.169,685 10.133,686 11.114,687 12.089,688 13.076,689 1.3,692 1,731 80,733 8,735 44,737 83,738 30,742 8,746 4,747 10,752 3,753 2,754 2,755 5,756 1,758 9,761 11,762 19,763 1,766 8,771 5,773 1,775 10,781 39,782 11,783 2,784 11,790 1,794 0.25,795 10,811 1,812 3,815 1,816 2,824 2,828 1,829 2,831 1,832 4,836 1,838 2,839 1,840 1,844 5,848 41,853 2,854 9,856 3,858 3,859 1,860 2,870 12.5,872 2,873 5,874 1,875 2,877 23.667,878 15.767,879 8.931,880 4.974,881 1.329,882 1.151,883 0.881,884 9.105,885 10.153,886 3.97,887 4.489,888 4.977,889 5.472,890 5.986,891 6.366,892 6.702,893 7.007,894 7.252,895 7.415,896 0.889,897 81,898 15.647,900 7.215,901 8.138,902 28.741,904 24.621,905 2.638,906 108.167,910 435.531,911 117.544,912 3.124,914 244.091,917 117.544,918 679.622,919 3.124,920 45.755,921 33.487,923 247.651,924 37.866,925 11.771,926 423.76,928 435.531,929 120.668,930 244.091,933 388.446,934 280.176,935 11,937 54.04,938 66.629,941 435.531,942 247.215,943 117.544,946 435.531,947 62.742,948 57.927,950 244.091,951 435.531,952 247.215,953 117.544,955 0.594,956 0.349,957 0.198,958 0.123,959 32,960 18,961 0.133,962 11,963 3,964 1.353,965 4.409,966 455.699,967 0.353,968 17,969 219.66,974 31.303,975 11.926,976 5.477,978 247.215,986 85.367,987 800.29,988 52,993 63.484,995 1.526,997 -2.674,999 81.163,1000 90.481,1001 0.236,1002 0.558,1003 0.844,1004 0.917,1005 0.917,1006 0.917,1007 5.313,1008 2.197,1009 6.382,1010 6.117,1011 4.905,1012 5.176,1013 3.641,1014 7.382,1015 4.866,1016 6.548,1017 1.991,1018 8.071,1019 5.735,1020 4.89,1021 5.263,1022 3.214,1023 8.897,1024 4.863,1025 7.915,1026 1.785,1027 9.885,1028 5.181,1029 6.718,1030 7.265,1031 4.894,1032 12.107,1033 6.666,1034 9.319,1035 1.617,1036 11.776,1037 4.939,1038 7.513,1039 8.135,1040 5.154,1041 14.466,1042 7.479,1043 10.763,1044 1.539,1045 13.72,1046 4.604,1047 8.94,1048 9.732,1049 6.399,1050 17.332,1051 8.894,1052 12.235,1053 1.308,1054 15.701,1055 3.488,1056 10.063,1057 10.929,1058 6.963,1059 19.97,1060 10.028,1061 13.731,1062 1.102,1063 17.709,1064 3.206,1065 11.392,1066 12.412,1067 8.015,1068 22.756,1069 11.351,1070 3.849,1071 0.79,1072 19.738,1073 2.651,1074 12.639,1075 13.751,1076 8.728,1077 25.483,1078 12.603,1079 3.575,1080 16.383,1081 21.781,1082 1.704,1083 13.952,1084 15.205,1085 9.689,1086 28.255,1087 13.912,1088 2.847,1089 14.589,1090 23.837,1091 4.409,1092 15.246,1093 16.61,1094 10.478,1095 31.012,1096 15.205,1097 2.789,1098 10.485,1099 25.901,1100 3.839,1101 16.562,1102 18.062,1103 11.394,1104 33.784,1105 16.517,1106 2.492,1107 10.001,1108 27.972,1109 3.498,1110 17.876,1111 19.498,1112 12.224,1113 36.554,1114 17.827,1115 2.275,1116 8.029,1117 30.049,1118 3.184,1119 19.197,1120 20.956,1121 13.119,1122 39.33,1123 19.144,1124 2.224,1125 7.319,1126 32.13,1127 2.932,1128 20.52,1129 22.409,1130 13.971,1131 42.107,1132 20.462,1133 21759,1134 38274,1135 27.164,1136 50.017,1137 68.873,1138 71.99,1139 74.027,1140 67.301,1141 67.257,1142 76.823,1143 23.963,1144 214.624,1145 65.752,1146 6.022,1147 6.194,1148 8.04,1149 5.936,1150 5.849,1151 7.172,1152 4.234,1153 25.386,1154 5.827,1155 29.846,1156 1.565,1157 1.636,1158 1.682,1159 1.53,1160 1.529,1161 1.746,1162 0.545,1163 4.878,1164 1.494,1165 4.129,1166 4.143,1167 4.085,1168 4.051,1169 7.475,1170 4.056,1171 3.887,1172 3.913,1173 3.824,1174 3.776,1175 7.438,1176 3.783,1177 3.771,1178 3.824,1179 3.641,1180 3.628,1181 7.431,1182 3.619,1183 3.614,1184 3.658,1185 3.531,1186 3.437,1187 7.428,1188 3.45,1189 3.561,1190 3.585,1191 3.47,1192 3.322,1193 7.424,1194 3.346,1195 3.513,1196 3.529,1197 3.433,1198 3.288,1199 6.459,1200 3.317,1201 3.409,1202 3.434,1203 3.306,1204 3.22,1205 6.351,1206 3.231,1207 3.311,1208 3.372,1209 3.162,1210 3.136,1211 4.713,1212 3.127,1213 0.114,1214 0.097,1215 0.188,1216 0.11,1217 0.087,1218 5.022,1219 0.1,1220 4.258,1221 0.056,1222 8.266,1223 0.372,1224 4.843,1225 0.087,1226 3.849,1227 4.409,1228 2.455,1229 16.383,1230 3.827,1231 2.031,1232 2.021,1233 2.114,1234 2.126,1235 1.511,1236 2.12,1237 1.789,1238 1.753,1239 2.005,1240 1.959,1241 1.346,1242 1.974,1243 1.734,1244 1.689,1245 1.906,1246 1.895,1247 1.245,1248 1.898,1249 1.58,1250 1.537,1251 1.805,1252 1.776,1253 1.119,1254 1.78,1255 1.536,1256 1.479,1257 1.779,1258 1.75,1259 1.016,1260 1.763,1261 1.431,1262 1.399,1263 1.695,1264 1.702,1265 0.818,1266 1.69,1267 1.394,1268 1.357,1269 1.653,1270 1.652,1271 0.76,1272 1.65,1273 1.32,1274 1.285,1275 1.58,1276 1.548,1277 0.707,1278 1.552,1279 4.489,1281 5.878,1282 2.398,1283 7.475,1284 4.844,1285 9.197,1286 7.034,1287 11.002,1289 7.984,1294 20.39,1295 3.236,1297 17.1,1299 -2.382,1300 1.736,1301 -2.233,1305 48.179,1306 119.198,1307 282.418,1308 426.761,1309 463.98,1310 463.98,1311 463.98,1312 185.835,1313 8.823,1314 156.74,1315 156.74,1316 23,1317 13.545,1318 3.17,1319 3.17,1320 75.715,1321 171,1322 273,1323 0.215,1324 292.305,1325 555.9,1326 704.983,1327 82478,1329 30.275,1330 0.738,1331 0.592,1332 30.275,1333 24.281,1334 19.266,1335 0.438,1336 0.319,1337 13.803,1338 18.265,1339 13.34,1340 10.976,1341 19.266,1342 14.045,1343 18.633,1344 0.278,1345 0.178,1346 18.633,1347 11.894,1348 15.204,1349 0.16,1350 0.097,1351 15.204,1352 9.171,1353 13.201,1354 0.094,1355 0.051,1356 13.201,1357 7.181,1358 11.482,1359 0.057,1360 0.026,1361 11.482,1362 5.25,1363 0.327,1364 123.173,1365 0.192,1366 35.619,1367 0.624,1368 222,1369 745.829,1370 249.766,1371 684.559,1372 890.11,1373 632,1374 273,1375 611.81,1376 299.14,1377 611.359,1378 906.46,1379 570,1380 6.893}
{0 CHEMBL453232,1 1.523,2 9.36,3 3.888,4 15.12,5 101.971,6 7.276,7 0.393,8 3.98,9 4.093,10 3.589,11 3.581,12 4.944,13 3.515,14 4.584,15 4.759,16 4.024,17 4.017,18 5.476,19 3.933,20 4.869,21 5.068,22 4.075,23 4.199,24 5.755,25 4.062,26 5.031,27 5.302,28 4.021,29 4.191,30 5.863,31 4.004,32 4.787,33 5.006,34 3.933,35 4.024,36 5.769,37 3.884,38 4.633,39 4.824,40 3.809,41 3.979,42 5.49,43 3.838,44 4.675,45 4.886,46 3.748,47 3.948,48 5.576,49 3.816,50 4.747,51 4.993,52 3.521,53 3.892,54 5.638,55 3.713,56 0.024,57 0.696,58 11.323,59 5.157,60 5.897,61 6.624,62 0.212,63 1.227,64 23.765,65 8.752,66 17.537,67 11.567,68 0.311,69 1.57,70 32.01,71 11.953,72 30.591,73 15.591,74 0.337,75 1.759,76 44.916,77 15.396,78 43.566,79 19.622,80 0.528,81 1.452,82 35.986,83 10.707,84 54.366,85 13.058,86 0.164,87 1.244,88 28.519,89 10.49,90 18.246,91 12.871,92 0.245,93 1.237,94 26.914,95 9.832,96 27.058,97 12.643,98 0.393,99 1.224,100 29.528,101 10.94,102 49.546,103 14.258,104 10,105 41,106 0.259,107 0.565,108 0.743,109 0.816,110 0.826,111 0.826,112 3.268,113 1.044,114 -4.5,115 -4.43,116 -4.17,119 40.8,120 2,121 3,123 1,125 3,127 1,142 5,143 1,146 1,152 1,157 1,162 1,172 11,174 1,175 5,183 14,186 1,187 5,195 7,198 1,199 11,207 3,211 2,212 8,220 3,224 7,232 3,237 5,245 5,249 1,250 4,258 7,263 4,271 8,275 882,276 16.74,277 16.74,278 16.74,279 16.74,280 16.74,281 15.327,282 21.121,283 9.819,284 17.169,285 13.886,286 13.886,287 13.886,288 13.886,289 13.886,290 11.703,291 26.439,292 4.737,293 14.624,294 4.091,295 2.3,296 1.253,297 0.822,298 0.766,299 0.766,300 3.963,303 1,304 1,305 1,306 512,307 2.739,310 45.926,311 211.054,314 90.315,318 1.494,319 21.541,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 53,331 234,332 4.548,333 3.735,334 6.876,335 4.328,336 3.346,337 4.139,338 1.277,339 11.536,340 3.302,341 4.152,342 3.308,343 6.553,344 3.971,345 3.05,346 3.464,347 0.86,348 10.408,349 2.807,350 3.951,351 3.079,352 6.247,353 3.699,354 2.737,355 3.252,356 0.8,357 9.274,358 2.629,359 3.779,360 2.771,361 5.452,362 3.446,363 2.461,364 2.94,366 7.189,367 2.409,368 3.387,369 2.594,370 5.17,371 3.052,372 2.065,373 2.539,375 6.104,376 2.028,377 3.041,378 2.229,379 4.939,380 2.726,381 1.781,382 2.176,384 5.37,385 1.669,386 2.853,387 1.821,388 4,389 2.473,390 1.531,391 1.966,393 3.366,394 1.432,395 2.5,396 1.479,397 3.793,398 2.273,399 1.316,400 1.5,402 2.912,403 1.246,404 2.422,405 1.386,406 3.613,407 2,408 1.06,409 1.42,411 2.749,412 1,413 2.332,414 1.199,415 3.549,416 1.91,417 1,418 1.23,420 2.294,421 0.888,422 2.125,423 1,424 3.247,425 1.692,426 0.8,427 1.056,428 2.136,429 0.691,430 1.237,431 0.549,432 3.234,433 1.055,434 0.091,435 0.101,436 0.234,437 0.087,438 1.027,439 0.352,440 2.818,441 0.731,442 -0.252,443 -0.291,445 -0.77,446 -0.241,447 0.761,448 -0.071,449 2.794,450 0.572,451 -0.456,452 -0.526,454 -1.3,455 -0.463,456 0.663,457 -0.254,458 2.449,459 0.379,460 -0.575,461 -0.665,463 -1.372,464 -0.549,465 12.3,466 0.492,467 0.741,468 0.03,469 28,470 1.12,471 12,472 0.48,473 16,474 0.64,475 26.279,476 1.051,477 27.3,478 0.557,479 17.302,480 0.692,481 4.891,482 0.196,483 7.125,484 0.285,485 0.108,486 0.041,487 0.276,493 0.715,494 1.26,495 0.775,496 1.025,497 0.583,498 0.996,499 1.029,500 1.048,501 0.812,502 0.899,503 0.665,504 0.876,505 1.041,506 1.172,507 1.017,508 1.081,509 1.038,510 1.156,511 0.744,512 1.044,513 1.078,514 1.065,515 0.688,516 0.89,517 1.622,518 0.942,519 1.486,520 1.084,521 1.879,522 0.977,523 1.031,524 1.286,525 1.402,526 1.386,527 0.634,528 1.204,529 1.336,530 1.008,531 1.1,532 1.035,533 1.323,534 1.076,535 1.181,536 0.932,537 1.016,538 0.978,539 1.476,540 1.067,541 6,542 0.098,543 2.667,544 2.194,545 1.539,546 0.872,547 0.432,548 0.428,549 0.272,550 0.174,551 6993,552 15779,553 2.12,554 49,555 6,556 12,560 4,561 2,564 1.683,565 1.987,566 3.225,567 -0.79,569 1,573 74.643,574 1.523,575 3.315,576 4.362,577 4.793,578 4.849,579 4.849,580 2.695,581 4.164,582 4.617,583 3.364,584 1009.11,585 7.999,586 11926.3,588 1,590 1,591 275.121,592 1.535,593 4.57,594 0.214,595 0.008,596 0.065,597 0.056,598 0.042,599 0.026,600 0.013,601 0.014,602 0.012,603 0.011,604 0.462,605 0.33,606 1,607 0.553,608 119.061,609 0.017,610 -0.124,611 0.088,612 -0.002,613 -0.013,614 0.018,615 -0.003,616 0.038,617 0.137,618 0.094,619 0.006,620 0.101,621 -0.047,622 -0.118,623 -0.078,624 -0.112,625 -0.114,626 -0.189,627 0.108,628 -0.062,629 0.104,630 0.019,631 0.154,632 0.113,633 -0.154,634 0.191,635 -0.193,636 0.01,637 -0.239,638 -0.041,639 -0.078,640 -0.217,641 -0.221,642 -0.25,643 -0.007,644 -0.194,645 -0.171,646 0.01,647 -0.147,648 -0.073,649 -0.103,650 -0.116,651 -0.004,652 -0.031,653 -0.113,654 -0.048,655 -0.04,656 -0.097,657 1.414,658 5.497,659 0.84,660 19.971,661 0.993,662 1.12,663 3.272,664 10.707,665 0.672,666 3.367,667 3.738,668 3.989,669 4.317,670 4.543,671 4.663,672 4.779,673 4.934,674 4.997,675 4.997,676 5.682,677 0.622,678 356.53,679 3.367,680 4.934,681 5.79,682 6.698,683 7.573,684 8.487,685 9.372,686 10.289,687 11.18,688 12.099,689 4.1,695 1,699 1,704 5,705 1,708 1,709 4,711 11,716 1,726 1,731 49,733 12,734 1,735 28,737 52,738 20,739 9,740 1,741 5,742 1,746 4,747 5,752 2,753 1,754 1,755 3,758 4,761 10,762 10,766 1,771 1,775 1,778 1,781 24,782 4,784 5,785 1,790 2,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 25,854 6,856 1,858 1,859 1,860 1,863 1,870 4.1,873 1,874 1,877 12.583,878 9.4,879 5.278,880 3.053,881 1.956,882 1.259,883 0.966,884 4.572,885 9.492,886 3.57,887 4.123,888 4.611,889 5.169,890 5.542,891 5.757,892 5.989,893 6.245,894 6.442,895 6.557,896 1,897 39,898 9.331,900 4.047,901 7.55,902 18.418,904 15.941,905 2.05,906 51.25,908 1,909 1,910 282.506,911 128.138,912 19.91,914 36.145,916 31.278,917 96.861,918 318.651,919 19.91,920 17.65,921 18.894,922 47.381,923 58.064,924 9.567,925 1.358,926 313.784,928 282.506,929 116.771,930 36.145,931 31.278,933 258.964,934 48.687,935 11,937 39.802,938 60.183,939 16.786,940 31.278,941 282.506,942 56.055,943 128.138,946 282.506,947 63.107,948 68.156,950 52.93,951 282.506,952 56.055,953 128.138,955 0.592,956 0.332,957 0.189,958 0.104,959 22,960 9,961 0.058,962 3,963 1,964 1.095,965 3.672,966 216.748,967 0.095,968 21,969 110.096,970 1,974 17.021,975 6.715,976 3.596,978 56.055,979 10.511,980 4.88,983 1.575,984 4.16,987 466.699,988 34.5,993 12.497,997 0.253,999 48.654,1000 54.903,1001 0.271,1002 0.59,1003 0.777,1004 0.854,1005 0.864,1006 0.864,1007 4.85,1008 1.316,1009 5.82,1010 3.366,1011 4.419,1012 4.808,1013 1.903,1014 6.686,1015 4.327,1016 6.052,1017 1.06,1018 7.412,1019 2.912,1020 4.205,1021 4.635,1022 0.325,1023 7.84,1024 4.11,1025 7.37,1026 1,1027 9.11,1028 2.749,1029 6.111,1030 6.896,1031 2.065,1032 10.873,1033 5.95,1034 8.717,1035 0.8,1036 10.872,1037 2.294,1038 6.686,1039 7.506,1040 0.268,1041 12.798,1042 6.516,1043 10.096,1044 0.091,1045 12.674,1046 2.136,1047 8.119,1048 9.288,1049 2.377,1050 15.407,1051 7.902,1052 11.496,1053 -0.252,1054 14.501,1055 0.234,1056 9.033,1057 10.272,1058 0.188,1059 17.621,1060 8.803,1061 12.913,1062 -0.456,1063 16.346,1064 -0.77,1065 10.295,1066 11.851,1067 2.77,1068 20.098,1069 10.033,1070 3.346,1071 -0.575,1072 18.204,1073 -1.3,1074 11.357,1075 13.031,1076 0.125,1077 22.428,1078 11.082,1079 3.05,1080 11.536,1081 20.071,1082 -1.372,1083 12.559,1084 14.518,1085 3.207,1086 24.862,1087 12.263,1088 2.737,1089 10.408,1090 21.946,1091 4.139,1092 13.687,1093 15.803,1094 0.082,1095 27.242,1096 13.38,1097 2.461,1098 9.274,1099 23.827,1100 3.464,1101 14.87,1102 17.248,1103 3.668,1104 29.665,1105 14.55,1106 2.065,1107 7.189,1108 25.712,1109 3.252,1110 16.029,1111 18.592,1112 0.054,1113 32.068,1114 15.699,1115 1.781,1116 6.104,1117 27.602,1118 2.94,1119 17.21,1120 20.019,1121 4.142,1122 34.49,1123 16.871,1124 1.531,1125 5.37,1126 29.495,1127 2.539,1128 18.384,1129 21.395,1130 0.035,1131 36.906,1132 18.038,1133 6630,1134 10076,1135 18.781,1136 32.944,1137 43.086,1138 44.171,1139 43.062,1140 42.361,1141 42.477,1142 51.565,1143 5.875,1144 127.141,1145 40.375,1146 5.548,1147 5.735,1148 6.678,1149 5.466,1150 5.346,1151 7.139,1152 2.555,1153 18.866,1154 5.302,1155 10.859,1156 1.539,1157 1.578,1158 1.538,1159 1.513,1160 1.517,1161 1.842,1162 0.21,1163 4.541,1164 1.442,1165 4.033,1166 4.061,1167 4.275,1168 3.979,1169 7.427,1170 3.944,1171 3.916,1172 3.947,1173 3.852,1174 3.858,1175 4.816,1176 3.846,1177 3.744,1178 3.792,1179 3.658,1180 3.591,1181 4.738,1182 3.586,1183 3.511,1184 3.551,1185 3.546,1186 3.433,1187 4.573,1188 3.39,1189 3.249,1190 3.322,1191 3.096,1192 3.106,1193 4.215,1194 3.087,1195 3.182,1196 3.215,1197 3.069,1198 2.955,1199 3.859,1200 2.978,1201 2.936,1202 3.013,1203 2.786,1204 2.747,1205 3.674,1206 2.729,1207 2.874,1208 3.009,1209 2.72,1210 2.735,1211 3.64,1212 2.715,1213 0.162,1214 0.133,1215 0.246,1216 0.155,1217 0.119,1218 4.548,1219 0.148,1220 3.735,1221 0.046,1222 6.876,1223 0.412,1224 4.328,1225 0.118,1226 3.346,1227 4.139,1228 1.277,1229 11.536,1230 3.302,1231 1.931,1232 1.9,1233 2.066,1234 2.04,1235 1.375,1236 2.049,1237 1.883,1238 1.852,1239 2.048,1240 2.001,1241 1.327,1242 2.02,1243 1.706,1244 1.659,1245 1.886,1246 1.899,1247 1.076,1248 1.902,1249 1.34,1250 1.321,1251 1.576,1252 1.498,1253 0.862,1254 1.519,1255 1.278,1256 1.209,1257 1.526,1258 1.464,1259 0.693,1260 1.506,1261 1.185,1262 1.139,1263 1.417,1264 1.4,1265 0.584,1266 1.393,1267 0.956,1268 0.915,1269 1.36,1270 1.239,1271 0.489,1272 1.308,1273 0.934,1274 0.852,1275 1.278,1276 1.204,1277 0.469,1278 1.23,1279 4.043,1281 5.398,1282 2.398,1283 6.942,1284 4.727,1285 8.574,1286 6.862,1287 10.253,1289 4.305,1295 4.704,1297 5.731,1299 0.27,1300 2.347,1301 0.018,1305 30.454,1306 74.643,1307 162.436,1308 213.737,1309 234.856,1310 237.611,1311 237.611,1312 41.921,1313 7.536,1314 42.43,1315 70.67,1316 23,1317 12.614,1318 3.7,1319 2.907,1320 35.8,1321 84,1322 86,1323 0.209,1324 188.191,1325 325.57,1326 450.947,1327 19237,1329 17.441,1330 0.698,1331 0.626,1332 17.795,1333 15.642,1334 12.017,1335 0.429,1336 0.348,1337 8.907,1338 11.246,1339 8.518,1340 7.038,1341 12.425,1342 9.746,1343 11.653,1344 0.284,1345 0.215,1346 12.269,1347 8.803,1348 9.14,1349 0.172,1350 0.117,1351 10.03,1352 6.188,1353 8.3,1354 0.112,1355 0.066,1356 9.216,1357 4.91,1358 6.477,1359 0.07,1360 0.04,1361 7.431,1362 3.676,1363 0.321,1364 78.706,1365 0.231,1366 23.932,1367 0.595,1368 138,1369 347.622,1370 174.575,1371 354.744,1372 486.28,1373 334,1374 163,1375 337.001,1376 199.477,1377 359.995,1378 532.14,1379 337,1380 6.079}
{0 CHEMBL453240,1 1.83,2 8.043,3 3.433,4 11.783,5 93.326,6 10.111,7 0.423,8 3.799,9 3.896,10 3.677,11 3.425,12 4.854,13 3.376,14 4.37,15 4.519,16 4.189,17 3.859,18 5.423,19 3.801,20 4.629,21 4.797,22 4.25,23 4.02,24 5.663,25 3.921,26 4.716,27 4.943,28 4.185,29 3.993,30 5.723,31 3.848,32 4.464,33 4.636,34 4.177,35 3.834,36 5.591,37 3.701,38 4.252,39 4.409,40 4.161,41 3.743,42 5.209,43 3.56,44 4.163,45 4.345,46 3.725,47 3.52,48 5.214,49 3.426,50 4.217,51 4.409,52 3.622,53 3.457,54 5.333,55 3.342,56 0.05,57 0.583,58 4.458,59 3.643,60 4.887,61 4.144,62 0.252,63 1.019,64 14.154,65 6.673,66 19.247,67 7.665,68 0.412,69 1.278,70 26.013,71 8.918,72 29.117,73 9.523,74 0.418,75 1.338,76 39.471,77 12.006,78 37.019,79 13.561,80 0.568,81 1.07,82 23.647,83 8.288,84 51.215,85 7.88,86 0.186,87 0.859,88 40.145,89 9.064,90 11.595,91 8.708,92 0.237,93 0.737,94 21.456,95 5.915,96 21.185,97 6.375,98 0.37,99 0.722,100 13.607,101 6.046,102 37.387,103 7.089,104 17,105 40,106 0.327,107 0.694,108 0.814,109 0.836,110 0.836,111 0.836,112 3.19,113 1.045,114 -4.08,115 -4.03,116 -3.81,117 1,119 41,120 2,121 1,125 2,130 1,142 3,144 3,146 1,152 1,158 1,162 1,172 1,174 1,175 5,178 1,180 3,183 6,186 1,187 4,192 1,195 3,198 1,199 9,202 1,207 1,211 2,212 3,215 1,220 3,224 4,232 3,237 2,242 1,245 1,249 1,250 1,253 1,255 1,258 4,263 4,268 2,271 2,275 636,276 15.118,277 15.118,278 15.118,279 15.118,280 15.118,281 13.705,282 25.666,283 8.518,284 15.769,285 12.863,286 12.863,287 12.863,288 12.863,289 12.863,290 10.566,291 41.506,292 4.082,293 14.04,294 3.455,295 1.398,296 0.725,297 0.603,298 0.603,299 0.603,300 3.883,304 1,305 1,306 406,307 2.646,310 39,311 152.293,314 76.759,315 85.255,318 1.18,319 21.573,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.25,331 185,332 4.564,333 3.726,334 6.881,335 4.306,336 3.349,337 4.166,338 1.058,339 11.551,340 3.215,341 4.363,342 3.413,343 6.704,344 4.064,345 3.137,346 3.932,347 0.86,348 10.908,349 2.9,350 4.048,351 3.134,352 6.311,353 3.743,354 2.808,355 3.213,356 0.8,357 9.529,358 2.621,359 3.668,360 2.902,361 5.717,362 3.302,363 2.382,364 2.91,366 7.59,367 2.169,368 3.454,369 2.725,370 5.119,371 2.995,372 2.115,373 2.724,375 5.885,376 1.888,377 3.237,378 2.464,379 4.96,380 2.878,381 1.924,382 2.39,384 5.791,385 1.676,386 2.828,387 1.817,388 4.572,389 2.386,390 1.461,391 1.948,393 4.335,394 1.338,395 2.488,396 1.585,397 3.974,398 2.281,399 1.372,400 1.486,402 3.279,403 1.223,404 2.312,405 1.248,406 3.794,407 1.727,408 0.854,409 1.179,411 2.392,412 0.72,413 2.024,414 0.966,415 3.378,416 1.636,417 0.73,418 0.92,420 1.881,421 0.645,422 1.125,423 0.457,424 3.227,425 0.781,426 -0.105,427 -0.121,428 -0.262,429 -0.069,430 1.018,431 0.437,432 2.794,433 0.641,434 -0.274,435 -0.32,436 -0.817,437 -0.242,438 0.753,439 -0.074,440 2.606,441 0.531,442 -0.457,443 -0.529,445 -1.301,446 -0.436,447 0.69,448 -0.289,449 2.419,450 0.362,451 -0.55,452 -0.632,454 -1.4,455 -0.484,456 0.47,457 -0.399,458 2.277,459 0.071,460 -0.844,461 -1,463 -2.466,464 -0.65,465 12.033,466 0.523,467 0.831,468 0.036,469 28,470 1.217,471 12.5,472 0.543,473 15.5,474 0.674,475 23.652,476 1.028,477 23.967,478 0.615,479 16.23,480 0.706,481 4.771,482 0.207,483 6.157,484 0.268,485 0.222,486 0.042,487 0.324,493 0.772,494 1.256,495 0.494,496 0.796,497 0.601,498 0.821,499 0.836,500 1.11,501 0.526,502 0.741,503 0.53,504 0.715,505 1.184,506 1.091,507 0.88,508 0.943,509 0.992,510 1.009,511 0.759,512 1.033,513 0.673,514 0.98,515 0.751,516 0.883,517 1.402,518 0.812,519 0.851,520 0.945,521 2.061,522 0.968,523 0.757,524 1.363,525 1.403,526 1.577,527 0.637,528 1.308,529 1.313,530 0.9,531 1.222,532 0.949,533 1.418,534 0.989,535 1.127,536 0.948,537 0.62,538 0.794,539 1.472,540 1.072,541 6.5,542 0.025,543 3.111,544 2.257,545 1.832,546 0.838,547 0.507,548 0.405,549 0.286,550 0.172,551 5281,552 15835,553 2.104,554 41,556 7,559 1,560 2,561 6,564 1.661,565 1.93,566 3.04,567 -0.241,569 1,573 71.376,574 1.83,575 3.887,576 4.561,577 4.683,578 4.683,579 4.683,580 2.442,581 4.089,582 4.5,583 3.161,584 799.611,585 7.764,586 8718.44,588 1,590 1,591 206.131,592 1.688,593 4.43,594 0.25,595 0.006,596 0.078,597 0.058,598 0.051,599 0.029,600 0.02,601 0.018,602 0.015,603 0.014,604 0.539,605 0.5,606 1,607 0.636,608 104.991,609 -0.056,610 -0.156,611 0.007,612 -0.005,613 -0.061,614 0.013,615 0.072,616 -0.038,617 0.07,618 0.106,619 0.121,620 0.163,621 -0.161,622 -0.019,623 -0.077,624 -0.053,625 -0.146,626 -0.125,627 0.11,628 -0.05,629 0.044,630 0.021,631 0.156,632 0.13,633 -0.134,634 0.293,635 -0.026,636 0.077,637 -0.344,638 -0.062,639 -0.022,640 -0.319,641 -0.049,642 -0.307,643 0.01,644 -0.265,645 -0.248,646 0.084,647 -0.123,648 -0.053,649 -0.123,650 -0.068,651 0.083,652 -0.071,653 0.015,654 -0.022,655 0.013,656 -0.152,657 1.692,658 5.306,659 0.826,660 15.289,661 1.012,662 1.117,663 2.849,664 8.114,665 0.725,666 3.296,667 3.714,668 3.989,669 4.344,670 4.605,671 4.745,672 4.86,673 5.037,674 5.136,675 5.142,676 5.05,677 0.677,678 394.32,679 3.296,680 4.89,681 5.765,682 6.696,683 7.589,684 8.521,685 9.422,686 10.353,687 11.258,688 12.188,689 7.7,696 1,697 1,699 1,704 3,705 1,708 1,709 6,711 11,718 1,726 1,729 1,730 1,731 39,733 12,734 1,735 26,736 1,737 42,738 16,739 9,740 3,741 3,742 1,746 4,747 6,752 2,755 1,756 1,758 1,761 10,762 6,763 1,766 1,771 1,775 1,778 1,781 16,782 5,783 1,784 7,785 2,790 3,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,843 1,844 2,848 23,854 3,855 1,856 1,859 1,860 1,863 1,869 1,870 5.1,873 1,875 1,877 11.917,878 7.793,879 4.722,880 2.343,881 2.216,882 1.294,883 0.999,884 3.743,885 9.762,886 3.512,887 4.139,888 4.683,889 5.288,890 5.735,891 6.042,892 6.341,893 6.709,894 7.011,895 7.217,896 1,897 39,898 8.535,900 3.756,901 7.674,902 16.473,904 14.163,905 2.174,906 50,910 176.567,911 106.965,912 83.875,914 36.145,916 31.278,917 121.642,918 212.711,919 37.921,920 17.65,921 27.243,922 28.429,923 46.635,924 28.437,925 1.358,926 207.844,927 45.954,928 176.567,929 113.608,930 36.145,931 31.278,932 45.954,933 105.94,934 106.771,937 51.276,938 45.547,939 16.786,940 77.232,941 176.567,942 74.065,943 152.919,946 176.567,947 60.886,948 49.203,949 63.965,950 52.93,951 176.567,952 74.065,953 152.919,955 0.608,956 0.345,957 0.196,958 0.112,959 23,960 10,961 0.024,962 1,963 2,964 1.211,965 3.404,966 200.633,967 0.211,968 19,969 102.042,970 1,974 15.548,975 5.537,976 2.812,978 74.065,979 5.943,980 4.762,983 1.452,984 5.287,986 18.011,987 403.551,988 32.5,993 12.306,997 -0.025,999 39.451,1000 43.582,1001 0.346,1002 0.735,1003 0.863,1004 0.886,1005 0.886,1006 0.886,1007 4.818,1008 1.372,1009 5.826,1010 4.335,1011 4.394,1012 4.824,1013 1.737,1014 6.73,1015 4.235,1016 6.062,1017 0.854,1018 7.446,1019 3.279,1020 4.29,1021 4.82,1022 0.325,1023 7.928,1024 4.078,1025 7.41,1026 0.73,1027 9.167,1028 2.392,1029 6.133,1030 7.01,1031 1.622,1032 10.97,1033 5.857,1034 8.785,1035 -0.105,1036 10.946,1037 1.881,1038 6.77,1039 7.745,1040 0.268,1041 12.91,1042 6.451,1043 10.188,1044 -0.274,1045 12.76,1046 -0.262,1047 8.174,1048 9.482,1049 1.587,1050 15.535,1051 7.802,1052 11.61,1053 -0.457,1054 14.596,1055 -0.817,1056 9.122,1057 10.556,1058 0.188,1059 17.759,1060 8.708,1061 13.046,1062 -0.55,1063 16.45,1064 -1.301,1065 10.375,1066 12.111,1067 1.592,1068 20.248,1069 9.913,1070 3.349,1071 -0.844,1072 18.315,1073 -1.4,1074 11.456,1075 13.352,1076 0.125,1077 22.586,1078 10.952,1079 3.137,1080 11.551,1081 20.189,1082 -2.466,1083 12.656,1084 14.827,1085 1.624,1086 25.029,1087 12.108,1088 2.808,1089 10.908,1090 22.07,1091 4.166,1092 13.794,1093 16.15,1094 0.082,1095 27.415,1096 13.205,1097 2.382,1098 9.529,1099 23.956,1100 3.932,1101 14.979,1102 17.59,1103 1.676,1104 29.843,1105 14.348,1106 2.115,1107 7.59,1108 25.848,1109 3.213,1110 16.143,1111 18.955,1112 0.054,1113 32.25,1114 15.471,1115 1.924,1116 5.885,1117 27.743,1118 2.91,1119 17.326,1120 20.379,1121 1.742,1122 34.676,1123 16.614,1124 1.461,1125 5.791,1126 29.64,1127 2.724,1128 18.502,1129 21.767,1130 0.035,1131 37.093,1132 17.751,1133 5040,1134 8868,1135 17.107,1136 28.256,1137 40.969,1138 42.107,1139 41.578,1140 40.331,1141 40.261,1142 49.735,1143 5.437,1144 126.285,1145 36.792,1146 5.513,1147 5.726,1148 6.41,1149 5.449,1150 5.349,1151 7.166,1152 2.117,1153 18.892,1154 5.215,1155 11.774,1156 1.576,1157 1.619,1158 1.599,1159 1.551,1160 1.548,1161 1.913,1162 0.209,1163 4.857,1164 1.415,1165 4.033,1166 4.058,1167 6.88,1168 3.968,1169 7.429,1170 3.94,1171 3.896,1172 3.922,1173 4.274,1174 3.835,1175 4.901,1176 3.814,1177 3.568,1178 3.616,1179 3.814,1180 3.48,1181 4.731,1182 3.441,1183 3.422,1184 3.473,1185 3.587,1186 3.279,1187 4.337,1188 3.261,1189 3.134,1190 3.165,1191 3.245,1192 2.853,1193 4.284,1194 2.895,1195 2.937,1196 3.009,1197 3.074,1198 2.803,1199 3.806,1200 2.779,1201 2.874,1202 2.996,1203 2.807,1204 2.718,1205 3.527,1206 2.675,1207 2.79,1208 2.854,1209 2.745,1210 2.62,1211 3.482,1212 2.57,1213 0.176,1214 0.143,1215 0.265,1216 0.166,1217 0.129,1218 4.564,1219 0.16,1220 3.726,1221 0.041,1222 6.881,1223 0.444,1224 4.306,1225 0.124,1226 3.349,1227 4.166,1228 1.058,1229 11.551,1230 3.215,1231 1.907,1232 1.888,1233 1.992,1234 2.028,1235 1.262,1236 2.02,1237 1.825,1238 1.786,1239 1.972,1240 1.985,1241 1.18,1242 1.99,1243 1.481,1244 1.438,1245 1.68,1246 1.645,1247 0.926,1248 1.67,1249 1.335,1250 1.308,1251 1.509,1252 1.495,1253 0.691,1254 1.512,1255 1.166,1256 1.124,1257 1.417,1258 1.373,1259 0.469,1260 1.363,1261 0.934,1262 0.845,1263 1.206,1264 1.239,1265 0.447,1266 1.308,1267 0.895,1268 0.804,1269 1.137,1270 1.15,1271 0.232,1272 1.152,1273 0.784,1274 0.751,1275 0.961,1276 0.947,1277 0.099,1278 0.991,1279 3.97,1281 5.361,1282 2.398,1283 6.938,1284 4.727,1285 8.605,1286 6.862,1287 10.32,1288 3.509,1289 4.044,1295 2.081,1296 3.037,1297 5.722,1300 2.132,1301 -0.249,1305 26.394,1306 71.376,1307 151.601,1308 177.866,1309 182.621,1310 182.621,1311 182.621,1312 34.678,1313 7.546,1314 54.46,1315 82.7,1316 23,1317 12.695,1318 3.7,1319 2.907,1320 31.731,1321 70,1322 59,1323 0.23,1324 168.53,1325 286.65,1326 402.973,1327 18233,1328 2.6,1329 16.19,1330 0.704,1331 0.663,1332 17.543,1333 15.253,1334 10.927,1335 0.42,1336 0.348,1337 7.465,1338 9.53,1339 7.098,1340 5.831,1341 11.913,1342 9.059,1343 11.142,1344 0.279,1345 0.207,1346 12.574,1347 8.292,1348 8.784,1349 0.166,1350 0.105,1351 10.199,1352 5.581,1353 8.085,1354 0.106,1355 0.057,1356 9.431,1357 4.335,1358 6.538,1359 0.066,1360 0.034,1361 8.089,1362 3.334,1363 0.347,1364 80.831,1365 0.242,1366 21.921,1367 0.673,1368 132,1369 378.609,1370 237.607,1371 419.506,1372 568.86,1373 392,1374 159,1375 385.159,1376 226.848,1377 416.21,1378 619.85,1379 391,1380 5.955}
{0 CHEMBL462168,1 1.792,2 14.737,3 5.66,4 32.03,5 133.6,6 8.856,7 0.643,8 4.22,9 4.311,10 3.92,11 3.732,12 5.473,13 3.768,14 4.743,15 4.875,16 4.357,17 4.093,18 6.335,19 4.138,20 4.876,21 5.003,22 4.409,23 4.223,24 6.21,25 4.255,26 5.008,27 5.161,28 4.381,29 4.231,30 6.347,31 4.247,32 5.011,33 5.189,34 4.328,35 4.201,36 6.292,37 4.203,38 4.994,39 5.181,40 4.292,41 4.189,42 6.473,43 4.166,44 4.931,45 5.129,46 4.14,47 4.156,48 6.08,49 4.123,50 4.847,51 5.031,52 4.16,53 4.1,54 6.1,55 4.07,56 0.271,57 1.057,58 8.098,59 5.338,60 24.128,61 5.356,62 1.173,63 2.006,64 19.474,65 8.547,66 151.053,67 8.635,68 0.816,69 1.864,70 19.96,71 9.804,72 52.142,73 9.92,74 1.158,75 2.078,76 26.039,77 11.198,78 105.856,79 11.256,80 1.194,81 1.955,82 29.18,83 11.572,84 95.169,85 12.801,86 1.504,87 1.892,88 29.893,89 11.336,90 181.07,91 13.376,92 1.013,93 1.755,94 28.123,95 10.735,96 106.42,97 12.371,98 0.905,99 1.761,100 23.144,101 9.867,102 69.432,103 11.813,104 59,105 62,106 0.285,107 0.617,108 0.764,109 0.859,110 0.864,111 0.87,112 3.668,113 0.808,114 -4.84,115 -4.75,116 -4.46,119 45.8,124 3,132 1,142 10,143 4,144 4,145 1,146 1,147 1,152 1,158 1,166 1,172 9,175 13,178 2,180 2,183 11,186 1,187 11,190 1,192 3,195 6,198 4,199 9,204 4,207 6,211 4,212 6,217 1,220 7,223 1,224 11,227 1,232 11,237 9,245 9,249 2,250 8,255 2,258 6,262 2,263 5,268 1,271 2,275 2746,276 25.331,277 25.331,278 25.331,279 25.331,280 25.331,281 22.12,282 28.839,283 14.393,284 26.221,285 20.609,286 20.609,287 20.609,288 20.609,289 20.609,290 15.498,291 35.925,292 6.651,293 21.947,294 4.091,295 2.009,296 1.089,297 0.492,298 0.458,299 0.424,300 4.369,305 1,306 1211,307 4.359,310 87.664,311 432.27,314 155.516,315 174.577,318 2.463,319 60.128,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 86.5,331 560,332 4.652,333 4.461,334 7.118,335 4.198,336 3.324,337 4.619,338 3.825,339 11.699,340 3.099,341 4.57,342 3.582,343 6.737,344 4.164,345 3.207,346 4.51,347 1.058,348 10.996,349 3.019,350 4.467,351 3.333,352 6.584,353 4.092,354 3.126,355 3.927,356 0.86,357 10.523,358 2.951,359 4.058,360 3.218,361 6.045,362 3.733,363 2.751,364 3.507,365 0.86,366 8.677,367 2.634,368 4.002,369 3.038,370 6.036,371 3.597,372 2.666,373 3.349,374 0.86,375 8.627,376 2.468,377 3.74,378 2.604,379 5.524,380 3.308,381 2.366,382 3.181,384 7.27,385 2.218,386 3.457,387 2.326,388 5.358,389 3.027,390 2.084,391 2.812,393 6.521,394 1.958,395 3.39,396 2.234,397 5.051,398 2.909,399 1.957,400 2.771,402 5.846,403 1.856,404 3.206,405 2.166,406 4.77,407 2.757,408 1.796,409 2.408,411 5.095,412 1.695,413 3.017,414 2.002,415 4.627,416 2.562,417 1.623,418 2.235,420 4.672,421 1.518,422 2.924,423 1.659,424 4.479,425 2.459,426 1.501,427 2.092,428 4.31,429 1.429,430 2.689,431 1.605,432 4.027,433 2.253,434 1.345,435 1.747,436 3.153,437 1.211,438 2.613,439 1.47,440 3.886,441 2.139,442 1.167,443 1.631,445 3.079,446 1.115,447 2.543,448 1.15,449 3.616,450 2.055,451 1.059,452 1.534,454 2.517,455 1.05,456 2.371,457 1.061,458 3.463,459 1.897,460 0.9,461 1.287,463 2.241,464 0.892,465 17.29,466 0.455,467 1.172,468 0.031,469 52.75,470 1.388,471 27.5,472 0.724,473 25.25,474 0.664,475 30.552,476 0.804,477 40.91,478 0.693,479 48.842,480 1.285,481 10.967,482 0.289,483 7.205,484 0.19,485 0.156,486 0.029,487 0.37,490 3,493 0.667,494 0.996,495 0.607,496 1.068,497 0.599,498 0.89,499 0.742,500 0.735,501 0.658,502 0.782,503 0.446,504 0.711,505 0.874,506 0.977,507 0.842,508 1.053,509 0.647,510 0.967,511 1.103,512 1.062,513 1.123,514 1.121,515 1.051,516 1.125,517 0.928,518 0.908,519 0.968,520 0.997,521 0.843,522 1,523 0.663,524 0.709,525 0.927,526 0.907,527 0.631,528 0.998,529 0.873,530 0.776,531 1.029,532 0.887,533 0.794,534 0.979,535 0.599,536 0.839,537 0.924,538 1.083,539 0.462,540 1.134,541 9.5,542 0.285,543 5.111,544 3.264,545 2.631,546 1.796,547 0.86,548 0.747,549 0.564,550 0.494,551 23797,552 84664,553 2.059,554 35.6,556 19,558 1,559 1,564 1.785,565 1.892,566 3.808,567 -0.322,573 105.7,574 1.792,575 3.873,576 4.794,577 5.391,578 5.425,579 5.459,580 3.281,581 4.965,582 5.219,583 4.035,584 2836.27,585 9.178,586 47824.7,591 347.076,592 1.636,593 5.156,594 0.226,595 0.008,596 0.082,597 0.049,598 0.043,599 0.031,600 0.016,601 0.015,602 0.012,603 0.011,604 0.493,605 0.17,606 0.75,607 0.877,608 212.58,609 -0.039,610 -0.079,611 0.042,612 -0.082,613 -0.1,614 -0.014,615 0.188,616 0.267,617 0.176,618 0.188,619 0.36,620 0.18,621 -0.088,622 -0.116,623 -0.054,624 -0.097,625 -0.015,626 -0.069,627 -0.145,628 -0.094,629 -0.228,630 -0.16,631 -0.133,632 -0.209,633 -0.048,634 -0.066,635 -0.017,636 -0.033,637 -0.051,638 -0.018,639 0.191,640 0.137,641 0.037,642 0.062,643 0.233,644 0.003,645 -0.137,646 -0.002,647 -0.084,648 0.075,649 -0.109,650 0.039,651 0.09,652 -0.02,653 -0.03,654 -0.121,655 0.084,656 -0.136,657 5.804,658 5.699,659 0.658,660 46.856,661 1.035,662 1.136,663 3.608,664 13.016,665 0.682,666 3.761,667 4.143,668 4.431,669 4.71,670 4.977,671 5.081,672 5.231,673 5.366,674 5.497,675 5.624,676 8.699,677 0.684,678 522.52,679 3.761,680 5.342,681 6.213,682 7.119,683 8.007,684 8.914,685 9.808,686 10.714,687 11.612,688 12.518,689 6.8,696 1,697 1,699 2,703 4,704 11,705 2,709 7,710 1,711 27,718 1,729 3,731 59,733 28,734 3,735 42,737 63,738 27,739 22,740 9,741 9,742 1,746 5,747 7,752 1,757 1,761 23,762 4,766 1,771 1,775 1,779 3,781 21,782 10,783 1,784 11,790 4,794 0.6,795 4,803 1,805 1,811 1,812 4,815 1,816 1,840 3,844 3,846 3,848 38,855 1,856 3,860 1,869 3,870 6.8,873 1,875 3,877 20.083,878 11.862,879 8.194,880 3.196,881 5.402,882 1.608,883 1.007,884 6.803,885 14.291,886 4.052,887 4.738,888 5.392,889 6.031,890 6.628,891 6.98,892 7.417,893 7.837,894 8.225,895 8.576,896 0.9,897 66,898 14.534,900 6.782,901 8.164,902 25.626,904 20.805,905 2.664,906 101.25,910 235.422,911 185.544,912 53.236,914 58.145,915 44.88,917 185.544,918 293.567,919 98.116,920 30.162,921 18.011,922 94.762,923 75.069,924 123.339,925 4.472,926 223.651,927 7.76,928 235.422,929 238.779,930 103.025,933 235.422,934 103.025,937 38.738,938 166.592,939 33.449,941 280.302,942 111.38,943 185.544,946 243.182,947 43.812,948 135.749,949 18.011,950 136.473,951 235.422,952 156.261,953 185.544,955 0.595,956 0.354,957 0.189,958 0.107,959 31,960 15,961 0.095,962 6,963 2,964 1.16,965 4.681,966 381.688,967 0.16,968 25,969 194.666,974 25.679,975 10.068,976 5.1,977 2.594,978 154.484,979 16.251,980 8.707,984 1.284,985 1.544,986 18.011,987 577.226,988 56.5,993 12.699,997 -0.705,999 61.091,1000 67.002,1001 0.305,1002 0.658,1003 0.815,1004 0.916,1005 0.922,1006 0.928,1007 5.317,1008 1.957,1009 6.248,1010 6.521,1011 4.828,1012 5.427,1013 3.315,1014 7.125,1015 4.715,1016 6.575,1017 1.796,1018 7.857,1019 5.846,1020 4.635,1021 5.421,1022 3.903,1023 8.257,1024 4.408,1025 7.924,1026 1.623,1027 9.57,1028 5.095,1029 6.529,1030 7.749,1031 5.446,1032 11.305,1033 6.303,1034 9.309,1035 1.501,1036 11.343,1037 4.672,1038 7.116,1039 8.534,1040 6.69,1041 13.214,1042 6.773,1043 10.723,1044 1.345,1045 13.154,1046 4.31,1047 8.538,1048 10.377,1049 8.059,1050 15.83,1051 8.184,1052 12.159,1053 1.167,1054 14.991,1055 3.153,1056 9.457,1057 11.538,1058 9.388,1059 18.045,1060 9,1061 13.611,1062 1.059,1063 16.846,1064 3.079,1065 10.71,1066 13.182,1067 10.734,1068 20.524,1069 10.222,1070 3.324,1071 0.9,1072 18.716,1073 2.517,1074 11.772,1075 14.527,1076 12.074,1077 22.862,1078 11.196,1079 3.207,1080 11.699,1081 20.598,1082 2.241,1083 12.966,1084 16.09,1085 13.416,1086 25.299,1087 12.343,1088 3.126,1089 10.996,1090 22.488,1091 4.619,1092 14.09,1093 17.523,1094 14.758,1095 27.687,1096 13.388,1097 2.751,1098 10.523,1099 24.386,1100 4.51,1101 15.265,1102 19.054,1103 16.1,1104 30.114,1105 14.508,1106 2.666,1107 8.677,1108 26.291,1109 3.927,1110 16.415,1111 20.53,1112 17.441,1113 32.525,1114 15.585,1115 2.366,1116 8.627,1117 28.201,1118 3.507,1119 17.587,1120 22.049,1121 18.783,1122 34.952,1123 16.695,1124 2.084,1125 7.27,1126 30.115,1127 3.349,1128 18.75,1129 23.546,1130 20.124,1131 37.375,1132 17.789,1133 22550,1134 42809,1135 27.452,1136 40.267,1137 64.538,1138 65.463,1139 66.626,1140 64.075,1141 63.976,1142 85.833,1143 14.927,1144 194.672,1145 60.174,1146 5.494,1147 6.461,1148 6.664,1149 5.283,1150 5.324,1151 7.619,1152 5.335,1153 18.78,1154 5.099,1155 22.846,1156 1.537,1157 1.559,1158 1.586,1159 1.526,1160 1.523,1161 2.044,1162 0.355,1163 4.635,1164 1.433,1165 4.145,1166 4.178,1167 4.118,1168 4.033,1169 8.513,1170 4.049,1171 4.045,1172 4.068,1173 4.019,1174 3.953,1175 7.999,1176 3.965,1177 3.942,1178 3.965,1179 3.906,1180 3.867,1181 7.999,1182 3.87,1183 3.559,1184 3.581,1185 3.507,1186 3.384,1187 7.429,1188 3.406,1189 3.46,1190 3.5,1191 3.44,1192 3.25,1193 5.103,1194 3.281,1195 3.389,1196 3.445,1197 3.331,1198 3.131,1199 5,1200 3.17,1201 3.252,1202 3.317,1203 3.162,1204 2.973,1205 4.747,1206 2.996,1207 3.226,1208 3.286,1209 3.073,1210 2.959,1211 4.662,1212 2.978,1213 0.111,1214 0.106,1215 0.169,1216 0.1,1217 0.079,1218 4.652,1219 0.11,1220 4.461,1221 0.091,1222 7.118,1223 0.279,1224 4.198,1225 0.074,1226 3.324,1227 4.619,1228 3.825,1229 11.699,1230 3.099,1231 2.023,1232 2.009,1233 2.078,1234 2.125,1235 1.211,1236 2.11,1237 1.932,1238 1.912,1239 2.014,1240 2.028,1241 1.155,1242 2.022,1243 1.902,1244 1.882,1245 1.987,1246 1.999,1247 1.108,1248 1.993,1249 1.478,1250 1.442,1251 1.68,1252 1.777,1253 0.717,1254 1.743,1255 1.463,1256 1.4,1257 1.646,1258 1.68,1259 0.659,1260 1.664,1261 1.254,1262 1.208,1263 1.576,1264 1.535,1265 0.575,1266 1.54,1267 1.194,1268 1.121,1269 1.458,1270 1.524,1271 0.519,1272 1.491,1273 1.117,1274 1.052,1275 1.402,1276 1.391,1277 0.422,1278 1.393,1279 4.443,1281 5.808,1282 2.398,1283 7.365,1284 4.844,1285 9.006,1286 7.018,1287 10.692,1289 4.773,1291 39.143,1296 2.604,1297 16.91,1301 -4.554,1305 40.363,1306 105.7,1307 228.519,1308 282.837,1309 318.056,1310 320.056,1311 322.056,1312 84.924,1313 8.889,1314 87.5,1315 87.5,1316 29,1317 13.037,1318 4.858,1319 3.954,1320 59.342,1321 202,1322 180,1323 0.144,1324 241.497,1325 422.41,1326 581.013,1327 109157,1328 5.1,1329 27.026,1330 0.711,1331 0.538,1332 24.526,1333 20.459,1334 18.172,1335 0.433,1336 0.269,1337 11.039,1338 17.086,1339 10.783,1340 8.921,1341 16.961,1342 11.316,1343 17.341,1344 0.28,1345 0.134,1346 15.383,1347 8.319,1348 14.386,1349 0.173,1350 0.072,1351 13.424,1352 5.942,1353 12.05,1354 0.11,1355 0.037,1356 11.516,1357 4.073,1358 10.17,1359 0.071,1360 0.019,1361 9.643,1362 2.784,1363 0.231,1364 116.839,1365 0.191,1366 34.626,1367 0.383,1368 208,1369 866.544,1370 245.161,1371 742.401,1372 990.21,1373 692,1374 249,1375 716.532,1376 281.01,1377 702.988,1378 1050.23,1379 657,1380 5.488}
{0 CHEMBL463606,1 1.641,2 7.882,3 1.783,4 3.179,5 70.667,6 7.268,7 0.278,8 3.634,9 3.755,10 3.24,11 3.173,12 4.635,13 3.101,14 4.223,15 4.418,16 3.662,17 3.579,18 5.138,19 3.487,20 4.419,21 4.61,22 3.647,23 3.723,24 5.388,25 3.576,26 4.608,27 4.905,28 3.495,29 3.649,30 5.497,31 3.45,32 4.172,33 4.392,34 3.276,35 3.283,36 5.312,37 3.149,38 3.856,39 4.049,40 2.924,41 3.136,42 4.731,43 2.942,44 3.804,45 4.035,46 2.639,47 2.941,48 4.707,49 2.795,50 3.862,51 4.122,52 2.471,53 2.846,54 4.77,55 2.671,56 0.01,57 0.511,58 8.571,59 3.665,60 5.274,61 4.686,62 0.208,63 0.83,64 18.252,65 5.918,66 17.542,67 7.911,68 0.225,69 0.981,70 22.076,71 7.677,72 26.146,73 9.951,74 0.27,75 1.015,76 31.155,77 9.255,78 36.274,79 12.115,80 0.451,81 0.699,82 19.768,83 4.665,84 48.694,85 6.053,86 0.082,87 0.553,88 16.063,89 5.072,90 10.278,91 5.933,92 0.156,93 0.474,94 12.924,95 3.65,96 17.091,97 4.821,98 0.231,99 0.416,100 11.569,101 3.941,102 27.065,103 5.428,104 21,105 26,106 0.309,107 0.571,108 0.783,109 0.804,110 0.804,111 0.804,112 2.908,113 1.098,114 -2.78,115 -2.79,116 -2.71,119 34.3,120 2,121 2,123 1,124 1,125 2,146 1,152 1,157 1,162 1,172 4,175 3,178 1,180 1,183 6,187 3,190 1,195 2,198 1,199 6,204 1,207 1,211 1,212 1,215 1,217 2,220 2,229 2,237 1,249 1,250 2,263 2,275 270,276 11.025,277 11.025,278 11.025,279 11.025,280 11.025,281 10.339,282 16.651,283 6.589,284 11.49,285 8.886,286 8.886,287 8.886,288 8.886,289 8.886,290 7.703,291 21.706,292 3.142,293 9.584,294 3.488,295 2.1,296 0.979,297 0.865,298 0.865,299 0.865,300 3.554,303 1,304 1,305 1,306 274,307 3,310 33.904,311 42.635,314 64.519,318 1.315,319 17.685,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 37,331 134,332 4.527,333 3.731,334 6.868,335 4.323,336 3.336,337 4.118,338 1.277,339 11.508,340 3.301,341 4.055,342 3.08,343 6.332,344 3.787,345 2.858,346 3.184,347 0.86,348 9.626,349 2.66,350 3.548,351 2.85,352 5.315,353 3.192,354 2.241,355 2.759,356 0.4,357 6.658,358 2.118,359 3.139,360 2.318,361 4.974,362 2.828,363 1.863,364 2.27,366 5.534,367 1.764,368 2.613,369 2.082,370 3.801,371 2.431,372 1.552,373 1.617,375 3.064,376 1.35,377 2.315,378 1.301,379 3.606,380 1.718,381 0.852,382 1.177,384 2.39,385 0.712,386 1.757,387 1.092,388 3.246,389 1.545,390 0.678,391 0.723,393 1.193,394 0.584,395 1.038,396 0.549,397 2.808,398 0.781,399 -0.179,400 -0.197,402 -0.389,403 -0.168,404 0.803,405 0.201,406 2.793,407 0.583,408 -0.38,409 -0.417,411 -0.899,412 -0.337,413 0.709,414 -0.1,415 2,416 0.515,417 -0.459,418 -0.541,420 -1.302,421 -0.473,422 0.174,423 -0.664,424 2,426 -1,427 -1,428 -2.418,429 -0.949,430 0.016,431 -1,432 2,433 -0.173,434 -1.089,435 -1.216,436 -3,437 -1,439 -1.017,440 1.637,441 -0.293,442 -1.219,443 -1.418,445 -3.541,446 -1.125,447 -0.339,448 -1.308,449 1.43,450 -0.559,451 -1.544,452 -1.744,454 -4.133,455 -1.346,456 -0.376,457 -1.394,458 1.228,459 -0.732,460 -1.635,461 -1.915,463 -4.979,464 -1.621,465 8.3,466 0.488,467 0.57,468 0.034,469 16.75,470 0.985,471 6,472 0.353,473 10.75,474 0.632,475 16.615,476 0.977,477 19.9,478 0.569,479 9.133,480 0.537,481 2.901,482 0.171,483 5.115,484 0.301,485 0.221,486 0.06,487 0.241,493 0.768,494 1.376,495 0.797,496 1.089,497 0.603,498 1.08,499 1.031,500 0.951,501 0.758,502 0.807,503 0.671,504 0.777,505 0.912,506 1.275,507 1.066,508 1.202,509 1.102,510 1.268,511 0.601,512 0.995,513 0.958,514 1.016,515 0.657,516 0.812,517 1.852,518 0.807,519 1.415,520 0.921,521 2.48,522 1.006,523 0.921,524 1.593,525 1.886,526 1.877,527 0.789,528 1.49,529 1.367,530 0.986,531 1.425,532 1.194,533 1.323,534 1.174,535 0.961,536 0.894,537 0.709,538 0.851,539 0.982,540 1.067,541 5,543 1.778,544 1.757,545 1.161,546 0.487,547 0.234,548 0.175,549 0.105,550 0.065,551 2143,552 5628,553 1.947,554 51.4,555 6,556 7,559 1,560 4,564 1.568,565 1.774,566 2.933,567 -0.198,569 1,570 1,571 1,573 57.447,574 1.641,575 3.03,576 4.15,577 4.265,578 4.265,579 4.265,580 2.498,581 3.852,582 4.049,583 3.068,584 417.197,585 6.845,586 3716.6,587 1,588 1,590 1,591 179.525,592 1.735,593 3.975,594 0.278,596 0.068,597 0.076,598 0.055,599 0.035,600 0.021,601 0.019,602 0.015,603 0.013,604 0.581,605 0.5,606 1,607 1.693,608 70.233,609 -0.027,610 -0.128,611 0.076,612 -0.001,613 -0.029,614 0.002,615 -0.032,616 0.142,617 0.211,618 0.222,619 0.017,620 0.233,621 -0.039,622 -0.172,623 -0.113,624 -0.168,625 -0.123,626 -0.255,627 0.145,628 -0.087,629 0.14,630 0.016,631 0.193,632 0.173,633 -0.266,634 0.308,635 -0.254,636 0.054,637 -0.378,638 -0.135,639 -0.109,640 -0.437,641 -0.444,642 -0.501,643 -0.041,644 -0.411,645 -0.282,646 0.077,647 -0.389,648 -0.21,649 -0.204,650 -0.232,651 0.176,652 -0.109,653 -0.03,654 -0.091,655 0.094,656 -0.136,657 1.437,658 4.962,659 0.529,660 12.45,661 1,662 1.133,663 1.549,664 2.401,665 0.647,666 2.944,667 3.296,668 3.466,669 3.784,670 3.932,671 4.043,672 3.97,673 3.989,674 3.738,675 3.258,676 4.622,677 0.596,678 254.39,679 2.944,680 4.489,681 5.313,682 6.221,683 7.076,684 7.993,685 8.863,686 9.784,687 10.662,688 11.584,689 5.7,694 1,699 1,705 1,708 1,709 3,711 5,716 1,724 1,731 35,733 6,735 18,737 36,738 12,739 3,742 1,746 2,747 3,752 2,753 1,754 1,755 2,758 2,761 4,762 8,766 1,771 1,775 1,778 1,781 18,782 4,783 1,784 5,785 1,790 2,794 0.5,795 2,811 1,812 1,815 1,839 1,840 1,842 1,844 3,848 17,854 4,855 1,856 1,860 1,863 1,870 5.7,873 1,874 1,877 9.583,878 7.2,879 3.722,880 2.038,881 1.092,882 1.179,883 0.912,884 3.713,885 7.188,886 3.114,887 3.644,888 4.092,889 4.669,890 4.923,891 5.208,892 5.253,893 5.34,894 5.186,895 4.407,896 1,897 23,898 6.316,900 2.618,901 7.721,902 12.241,904 10.009,905 2.221,906 37.75,907 0.003,910 200.109,911 81.328,912 34.796,914 36.145,916 31.278,917 50.05,918 236.254,919 34.796,920 28.533,921 11.767,923 76.075,924 3.257,925 1.358,926 231.386,928 200.109,929 84.846,930 36.145,931 31.278,933 200.109,934 25.145,935 11,937 32.675,938 17.375,939 34.796,940 31.278,941 200.109,942 70.941,943 81.328,946 200.109,947 52.794,948 28.533,949 18.011,950 52.93,951 200.109,952 70.941,953 81.328,955 0.582,956 0.31,957 0.171,958 0.094,959 13,960 6,961 0.111,962 4,963 1,964 1.222,965 2.879,966 114.936,967 0.222,968 9,969 67.487,970 1,974 12.811,975 4.927,976 2.976,978 70.941,980 4.5,983 1.467,984 2.624,986 18.011,987 352.378,988 21.5,993 11.962,997 0.23,999 35.003,1000 39.657,1001 0.32,1002 0.591,1003 0.809,1004 0.831,1005 0.831,1006 0.831,1007 4.385,1008 -0.179,1009 5.371,1010 1.193,1011 3.97,1012 4.324,1013 1.802,1014 6.244,1015 3.855,1016 5.605,1017 -0.38,1018 6.973,1019 -0.389,1020 3.892,1021 4.35,1023 7.506,1024 3.811,1025 6.942,1026 -0.459,1027 8.686,1028 -0.899,1029 5.694,1030 6.449,1031 2.011,1032 10.486,1033 5.526,1034 8.312,1035 -1,1036 10.462,1037 -1.302,1038 6.365,1039 7.241,1041 12.474,1042 6.23,1043 9.712,1044 -1.089,1045 12.277,1046 -2.418,1047 7.747,1048 8.905,1049 2.352,1050 15.07,1051 7.562,1052 11.132,1053 -1.219,1054 14.116,1055 -3,1056 8.724,1057 10.035,1059 17.322,1060 8.557,1061 12.568,1062 -1.544,1063 15.972,1064 -3.541,1065 9.969,1066 11.539,1067 2.759,1068 19.803,1069 9.776,1070 3.336,1071 -1.635,1072 17.84,1073 -4.133,1074 11.07,1075 12.824,1077 22.158,1078 10.884,1079 2.858,1080 11.508,1081 19.717,1082 -4.979,1083 12.271,1084 14.268,1085 3.203,1086 24.602,1087 12.074,1088 2.241,1089 9.626,1090 21.601,1091 4.118,1092 13.424,1093 15.623,1095 27,1096 13.228,1097 1.863,1098 6.658,1099 23.491,1100 3.184,1101 14.615,1102 17.046,1103 3.667,1104 29.434,1105 14.411,1106 1.552,1107 5.534,1108 25.385,1109 2.759,1110 15.79,1111 18.432,1113 31.851,1114 15.585,1115 0.852,1116 3.064,1117 27.283,1118 2.27,1119 16.98,1120 19.848,1121 4.142,1122 34.284,1123 16.77,1124 0.678,1125 2.39,1126 29.185,1127 1.617,1128 18.167,1129 21.25,1131 36.711,1132 17.952,1133 2270,1134 3766,1135 11.326,1136 22.659,1137 27.188,1138 28.425,1139 27.839,1140 26.578,1141 26.758,1142 31.692,1143 5.075,1144 79.944,1145 24.979,1146 5.472,1147 5.606,1148 6.778,1149 5.446,1150 5.336,1151 6.787,1152 2.555,1153 18.832,1154 5.301,1155 9.633,1156 1.51,1157 1.579,1158 1.547,1159 1.477,1160 1.487,1161 1.761,1162 0.282,1163 4.441,1164 1.388,1165 4.004,1166 4.027,1167 4.267,1168 3.962,1169 7.427,1170 3.921,1171 3.65,1172 3.71,1173 3.625,1174 3.532,1175 4.815,1176 3.492,1177 3.494,1178 3.538,1179 3.408,1180 3.31,1181 4.621,1182 3.305,1183 3.211,1184 3.267,1185 3.105,1186 2.966,1187 4.233,1188 2.989,1189 3.106,1190 3.179,1191 2.896,1192 2.85,1193 3.921,1194 2.842,1195 2.874,1196 3.009,1197 2.763,1198 2.665,1199 3.467,1200 2.597,1201 2.807,1202 2.906,1203 2.499,1204 2.618,1205 3.378,1206 2.57,1207 2.54,1208 2.658,1209 2.355,1210 2.268,1211 3.288,1212 2.246,1213 0.252,1214 0.207,1215 0.382,1216 0.24,1217 0.185,1218 4.527,1219 0.229,1220 3.731,1221 0.071,1222 6.868,1223 0.639,1224 4.323,1225 0.183,1226 3.336,1227 4.118,1228 1.277,1229 11.508,1230 3.301,1231 1.883,1232 1.852,1233 2.048,1234 2.002,1235 1.375,1236 2.02,1237 1.569,1238 1.512,1239 1.806,1240 1.829,1241 1.037,1242 1.829,1243 1.34,1244 1.318,1245 1.543,1246 1.528,1247 0.693,1248 1.534,1249 1.242,1250 1.183,1251 1.523,1252 1.496,1253 0.589,1254 1.519,1255 1.082,1256 0.999,1257 1.417,1258 1.334,1259 0.563,1260 1.354,1261 0.934,1262 0.877,1263 1.359,1264 1.239,1265 0.469,1266 1.308,1267 0.928,1268 0.804,1269 1.104,1270 1.112,1271 0.362,1272 1.166,1273 0.597,1274 0.493,1275 0.869,1276 0.85,1277 0.123,1278 0.901,1279 3.611,1281 4.949,1282 2.398,1283 6.466,1284 4.727,1285 8.082,1286 6.843,1287 9.758,1289 5.9,1295 2.875,1296 3.181,1297 4.967,1301 0.044,1305 20.874,1306 57.447,1307 106.038,1308 145.26,1309 149.26,1310 149.26,1311 149.26,1312 30.714,1313 6.096,1314 51.22,1315 79.46,1316 11,1317 12.1,1318 2.807,1319 2.17,1320 28.537,1321 48,1322 56,1323 0.323,1324 135.022,1325 230.71,1326 321.213,1327 2685,1329 12.466,1330 0.733,1331 0.666,1332 12.82,1333 11.317,1334 8.016,1335 0.445,1336 0.366,1337 5.749,1338 7.227,1339 5.389,1340 4.526,1341 8.424,1342 6.591,1343 7.807,1344 0.3,1345 0.237,1346 8.449,1347 6.154,1348 5.483,1349 0.177,1350 0.126,1351 6.339,1352 3.915,1353 4.943,1354 0.115,1355 0.07,1356 5.765,1357 3.001,1358 3.482,1359 0.07,1360 0.044,1361 4.336,1362 2.217,1363 0.492,1364 54.825,1365 0.297,1366 17.096,1367 0.921,1368 88,1369 260.309,1370 122.883,1371 265.513,1372 352.07,1373 248,1374 101,1375 227.614,1376 133.089,1377 249.805,1378 364.24,1379 230,1380 4.398}
{0 CHEMBL464552,1 1.705,2 13.282,3 3.582,4 12.832,5 146.018,6 7.833,7 0.512,8 4.338,9 4.466,10 3.94,11 3.803,12 5.502,13 3.818,14 4.868,15 5.055,16 4.32,17 4.196,18 6.012,19 4.197,20 5.056,21 5.235,22 4.419,23 4.335,24 6.24,25 4.322,26 5.189,27 5.394,28 4.486,29 4.357,30 6.484,31 4.341,32 5.204,33 5.413,34 4.396,35 4.351,36 6.39,37 4.335,38 5.181,39 5.389,40 4.423,41 4.424,42 6.317,43 4.38,44 5.271,45 5.504,46 4.445,47 4.439,48 6.349,49 4.386,50 5.233,51 5.467,52 4.417,53 4.344,54 6.455,55 4.302,56 0.14,57 1.145,58 13.017,59 5.346,60 11.905,61 7.044,62 0.598,63 1.77,64 26.231,65 8.877,66 38.466,67 12.021,68 0.595,69 2.097,70 31.387,71 11.003,72 54.569,73 14.684,74 1.037,75 2.227,76 38.99,77 12.605,78 120.109,79 17.169,80 1.107,81 2.207,82 40.42,83 10.99,84 114.841,85 14.934,86 0.833,87 2.287,88 37.677,89 12.764,90 82.724,91 17.538,92 0.818,93 2.357,94 42.849,95 13.696,96 73.703,97 20.019,98 1.225,99 2.253,100 42.727,101 12.703,102 110.6,103 18.261,104 64,105 62,106 0.266,107 0.643,108 0.815,109 0.874,110 0.874,111 0.874,112 3.693,113 0.861,114 -3.75,115 -3.71,116 -3.53,119 39.7,121 1,124 4,125 2,142 6,143 3,144 5,147 1,150 1,151 1,158 2,161 1,172 5,174 2,175 7,178 5,180 7,183 5,186 2,187 5,190 1,192 3,195 3,199 10,202 4,203 4,204 5,207 2,211 3,212 8,217 3,220 3,223 3,224 7,227 2,229 7,232 3,236 1,237 5,240 3,242 5,245 3,249 4,250 3,253 5,254 2,255 4,258 4,262 2,263 3,268 2,271 5,275 3005,276 26.273,277 26.273,278 26.273,279 26.273,280 26.273,281 23.417,282 39.545,283 15.139,284 27.026,285 21.102,286 21.102,287 21.102,288 21.102,289 21.102,290 16.47,291 63.795,292 6.997,293 22.185,294 4.383,295 1.967,296 0.865,297 0.486,298 0.486,299 0.486,300 4.393,306 1114,307 4.472,310 181.801,311 318.607,314 315.729,318 1.893,319 49.981,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.66,330 86.5,331 518,332 4.574,333 3.793,334 6.729,335 4.167,336 3.204,337 4.503,338 1.989,339 10.944,340 3.084,341 4.488,342 3.644,343 6.721,344 4.125,345 3.156,346 4.128,347 1.058,348 10.873,349 3.064,350 4.436,351 3.253,352 6.535,353 4.004,354 3.037,355 4.109,356 0.86,357 10.317,358 2.926,359 4.026,360 3.148,361 6.141,362 3.714,363 2.762,364 3.354,365 0.835,366 9.034,367 2.624,368 3.674,369 2.934,370 5.595,371 3.351,372 2.387,373 3.043,374 0.543,375 7.253,376 2.301,377 3.561,378 2.855,379 5.335,380 3.148,381 2.208,382 2.881,383 0.4,384 6.66,385 2.09,386 3.507,387 2.48,388 5.271,389 3.113,390 2.189,391 2.793,392 0.4,393 6.606,394 2.013,395 3.403,396 2.458,397 4.952,398 2.974,399 2.007,400 2.65,402 5.386,403 1.908,404 3.194,405 2.403,406 4.87,407 2.881,408 1.941,409 2.456,411 5.308,412 1.813,413 3.106,414 1.997,415 4.807,416 2.727,417 1.789,418 2.26,420 5.177,421 1.665,422 2.952,423 1.963,424 4.534,425 2.603,426 1.64,427 1.988,428 4.559,429 1.571,430 2.69,431 1.76,432 3.976,433 2.219,434 1.232,435 1.741,436 2.912,437 1.211,438 2.606,439 1.347,440 3.78,441 2.111,442 1.153,443 1.655,445 2.741,446 1.102,447 2.314,448 1.312,449 3.733,450 2.069,451 1.087,452 1.231,454 2.719,455 1.059,456 2.234,457 1.129,458 3.699,459 1.936,460 1,461 1.163,463 2.461,464 0.928,465 17.986,466 0.461,467 1.062,468 0.027,469 52.25,470 1.34,471 25,472 0.641,473 27.25,474 0.699,475 34.987,476 0.897,477 42.614,478 0.627,479 48.504,480 1.244,481 10.734,482 0.275,483 8.048,484 0.206,485 0.164,487 0.406,491 1,493 0.782,494 1.409,495 0.738,496 1.157,497 0.565,498 0.965,499 0.832,500 0.905,501 0.753,502 0.786,503 0.573,504 0.747,505 1.008,506 1.277,507 0.942,508 1.147,509 1.003,510 1.048,511 0.924,512 1.029,513 0.859,514 1.043,515 1.023,516 0.965,517 1.472,518 1.015,519 1.18,520 0.848,521 1.47,522 0.917,523 0.901,524 1.037,525 0.984,526 1.032,527 0.808,528 1.026,529 0.706,530 1.101,531 0.856,532 1.055,533 0.599,534 0.993,535 0.824,536 0.855,537 0.9,538 0.921,539 0.764,540 0.929,541 8.5,542 0.282,543 4.667,544 3.507,545 2.467,546 1.466,547 1.234,548 0.871,549 0.622,550 0.478,551 22951,552 66143,553 2.064,554 42.6,556 22,557 1,559 4,561 2,564 1.798,565 1.902,566 3.673,567 1.504,573 115.929,574 1.705,575 4.121,576 5.223,577 5.602,578 5.602,579 5.602,580 3.097,581 5.01,582 5.259,583 3.86,584 2860.34,585 9.297,586 47506.8,591 413.947,592 1.497,593 5.202,594 0.198,595 0.006,596 0.075,597 0.053,598 0.036,599 0.023,600 0.019,601 0.013,602 0.01,603 0.01,604 0.443,605 0.17,606 0.63,607 1.22,608 216.448,609 -0.087,610 -0.258,611 0.044,612 -0.098,613 -0.053,614 -0.011,615 0.023,616 0.152,617 0.139,618 0.198,619 0.048,620 0.196,621 -0.066,622 -0.194,623 -0.04,624 -0.132,625 -0.066,626 -0.09,627 0.153,628 -0.007,629 0.111,630 -0.058,631 0.133,632 -0.007,633 -0.267,634 0.022,635 -0.19,636 0.081,637 -0.22,638 -0.011,639 -0.015,640 0.023,641 -0.057,642 -0.026,643 -0.012,644 -0.048,645 0.07,646 -0.163,647 0.095,648 -0.071,649 0.048,650 0.005,651 0.199,652 0.131,653 0.098,654 0.031,655 0.135,656 0.032,657 2.326,658 6.565,659 0.615,660 42.312,661 1.015,662 1.14,663 2.52,664 6.348,665 0.658,666 3.784,667 4.143,668 4.454,669 4.771,670 4.97,671 5.142,672 5.323,673 5.517,674 5.591,675 5.759,676 7.897,677 0.64,678 532.64,679 3.784,680 5.352,681 6.225,682 7.128,683 8.019,684 8.928,685 9.825,686 10.736,687 11.637,688 12.55,689 11.8,692 1,696 2,697 3,699 2,703 2,704 7,705 2,706 1,709 9,711 22,718 1,724 2,729 1,730 1,731 68,733 24,734 2,735 43,737 72,738 27,739 18,740 7,741 5,742 1,746 5,747 7,755 1,758 1,761 20,762 7,766 2,771 2,775 2,779 1,781 29,782 11,783 4,784 12,790 8,794 0.6,795 3,806 1,807 1,811 2,812 3,815 2,827 1,836 1,840 3,844 4,846 1,848 39,854 3,855 3,856 1,859 2,869 1,870 4.4,873 2,875 1,877 20.5,878 13.526,879 8.583,880 3.79,881 4.479,882 1.507,883 1.003,884 7.705,885 13.321,886 4.043,887 4.675,888 5.286,889 5.905,890 6.405,891 6.778,892 7.204,893 7.675,894 7.977,895 8.447,896 0.889,897 66,898 14.491,900 6.28,901 7.902,902 27.04,904 21.99,905 2.402,906 93.667,910 294.278,911 155.653,912 110.637,914 61.29,915 14.96,917 155.653,918 355.567,919 125.598,920 36.072,921 27.881,922 65.905,923 94.986,924 98.51,925 30.958,926 282.506,928 294.278,929 266.291,930 76.25,933 285.695,934 84.832,937 87.427,938 145.293,939 33.571,941 309.238,942 171.927,943 155.653,946 294.278,947 53.676,948 108.226,949 70.818,950 109.821,951 294.278,952 186.887,953 155.653,955 0.585,956 0.351,957 0.199,958 0.102,959 30,960 15,961 0.111,962 8,963 2,964 1.167,965 4.658,966 403.715,967 0.167,968 24,969 204.131,974 26.875,975 11.182,976 5.409,977 1.171,978 170.102,979 11.604,980 9.204,981 3.069,984 3.038,986 70.818,987 636.818,988 56,993 25.216,997 -0.558,999 69.029,1000 77.522,1001 0.28,1002 0.677,1003 0.858,1004 0.92,1005 0.92,1006 0.92,1007 5.306,1008 2.007,1009 6.232,1010 6.606,1011 4.828,1012 5.364,1013 2.606,1014 7.091,1015 4.736,1016 6.531,1017 1.941,1018 7.822,1019 5.386,1020 4.511,1021 5.293,1022 1.738,1023 8.074,1024 4.382,1025 7.859,1026 1.789,1027 9.509,1028 5.308,1029 6.469,1030 7.606,1031 3.265,1032 11.197,1033 6.299,1034 9.222,1035 1.64,1036 11.254,1037 5.177,1038 6.957,1039 8.35,1040 3.224,1041 12.997,1042 6.756,1043 10.617,1044 1.232,1045 13.034,1046 4.559,1047 8.401,1048 10.163,1049 4.35,1050 15.638,1051 8.162,1052 12.034,1053 1.153,1054 14.841,1055 2.912,1056 9.251,1057 11.283,1058 4.689,1059 17.773,1060 8.982,1061 13.468,1062 1.087,1063 16.666,1064 2.741,1065 10.502,1066 12.9,1067 5.607,1068 20.245,1069 10.199,1070 3.204,1071 1,1072 18.505,1073 2.719,1074 11.516,1075 14.202,1076 6.118,1077 22.52,1078 11.181,1079 3.156,1080 10.944,1081 20.355,1082 2.461,1083 12.695,1084 15.735,1085 6.929,1086 24.929,1087 12.327,1088 3.037,1089 10.873,1090 22.213,1091 4.503,1092 13.78,1093 17.125,1094 7.524,1095 27.262,1096 13.38,1097 2.762,1098 10.317,1099 24.078,1100 4.128,1101 14.934,1102 18.624,1103 8.278,1104 29.65,1105 14.5,1106 2.387,1107 9.034,1108 25.949,1109 4.109,1110 16.051,1111 20.058,1112 8.915,1113 32.007,1114 15.585,1115 2.208,1116 7.253,1117 27.825,1118 3.354,1119 17.197,1120 21.543,1121 9.639,1122 34.388,1123 16.697,1124 2.189,1125 6.66,1126 29.704,1127 3.043,1128 18.33,1129 22.999,1130 10.3,1131 36.757,1132 17.796,1133 21947,1134 37481,1135 28.263,1136 44.722,1137 65.002,1138 67.743,1139 68.376,1140 64.527,1141 64.522,1142 83.503,1143 12.168,1144 192.409,1145 61.417,1146 5.497,1147 5.793,1148 6.271,1149 5.247,1150 5.204,1151 7.503,1152 3.465,1153 18.074,1154 5.084,1155 23.092,1156 1.512,1157 1.575,1158 1.59,1159 1.501,1160 1.501,1161 1.942,1162 0.283,1163 4.475,1164 1.428,1165 4.121,1166 4.166,1167 4.091,1168 3.984,1169 8.201,1170 4.004,1171 4.007,1172 4.04,1173 3.963,1174 3.904,1175 7.43,1176 3.915,1177 3.925,1178 3.952,1179 3.892,1180 3.83,1181 7.426,1182 3.84,1183 3.68,1184 3.746,1185 3.589,1186 3.456,1187 5.128,1188 3.48,1189 3.501,1190 3.572,1191 3.391,1192 3.293,1193 4.847,1194 3.304,1195 3.464,1196 3.542,1197 3.353,1198 3.201,1199 4.637,1200 3.227,1201 3.347,1202 3.416,1203 3.264,1204 3.1,1205 4.488,1206 3.134,1207 3.187,1208 3.262,1209 3.067,1210 2.954,1211 4.417,1212 2.965,1213 0.106,1214 0.088,1215 0.156,1216 0.097,1217 0.075,1218 4.574,1219 0.105,1220 3.793,1221 0.046,1222 6.729,1223 0.255,1224 4.167,1225 0.072,1226 3.204,1227 4.503,1228 1.989,1229 10.944,1230 3.084,1231 1.927,1232 1.901,1233 1.995,1234 2.069,1235 1.186,1236 2.042,1237 1.889,1238 1.87,1239 1.967,1240 1.999,1241 1.098,1242 1.987,1243 1.764,1244 1.732,1245 1.863,1246 1.919,1247 1.053,1248 1.896,1249 1.637,1250 1.571,1251 1.812,1252 1.881,1253 0.943,1254 1.875,1255 1.468,1256 1.399,1257 1.717,1258 1.7,1259 0.912,1260 1.704,1261 1.449,1262 1.368,1263 1.68,1264 1.69,1265 0.68,1266 1.691,1267 1.385,1268 1.307,1269 1.636,1270 1.675,1271 0.605,1272 1.677,1273 1.225,1274 1.164,1275 1.57,1276 1.525,1277 0.586,1278 1.539,1279 4.466,1281 5.814,1282 3.045,1283 7.351,1284 5.352,1285 8.981,1286 7.424,1287 10.664,1289 6.728,1291 14.565,1295 1.619,1296 8.771,1297 5.63,1300 3.608,1305 43.494,1306 115.929,1307 280.218,1308 355.153,1309 380.928,1310 380.928,1311 380.928,1312 86.299,1313 8.841,1314 127.51,1315 127.51,1316 28,1317 13.065,1318 4.644,1319 3.807,1320 61.241,1321 185,1322 188,1323 0.16,1324 265.209,1325 459.02,1326 638.87,1327 99485,1328 1.5,1329 27.681,1330 0.71,1331 0.565,1332 26.811,1333 22.054,1334 18.782,1335 0.437,1336 0.287,1337 12.077,1338 17.78,1339 11.718,1340 9.768,1341 18.372,1342 12.345,1343 17.227,1344 0.278,1345 0.151,1346 16.689,1347 9.342,1348 14.546,1349 0.171,1350 0.076,1351 14.152,1352 6.432,1353 12.892,1354 0.11,1355 0.039,1356 12.348,1357 4.621,1358 9.732,1359 0.068,1360 0.021,1361 9.538,1362 2.958,1363 0.25,1364 119.794,1365 0.188,1366 34.742,1367 0.441,1368 210,1369 705.23,1370 236.902,1371 650.689,1372 883.83,1373 608,1374 252,1375 650.602,1376 279.76,1377 653.549,1378 962.02,1379 611,1380 5}
{0 CHEMBL466106,1 1.6,2 8.263,3 2.661,4 7.082,5 77.66,6 7.191,7 0.238,8 3.756,9 3.873,10 3.362,11 3.31,12 4.666,13 3.242,14 4.386,15 4.577,16 3.77,17 3.731,18 5.237,19 3.634,20 4.635,21 4.872,22 3.808,23 3.865,24 5.468,25 3.716,26 4.622,27 4.869,28 3.675,29 3.841,30 5.483,31 3.647,32 4.462,33 4.705,34 3.47,35 3.625,36 5.375,37 3.461,38 4.247,39 4.468,40 3.275,41 3.47,42 5.157,43 3.333,44 4.221,45 4.435,46 3.071,47 3.357,48 5.177,49 3.197,50 4.168,51 4.44,52 2.667,53 3.116,54 5.012,55 2.898,56 0.009,57 0.578,58 9.586,59 4.168,60 2.588,61 5.376,62 0.206,63 0.987,64 20.79,65 6.883,66 12.526,67 9.329,68 0.329,69 1.161,70 27.692,71 9.195,72 25.99,73 12.122,74 0.251,75 1.167,76 32.236,77 10.322,78 27.251,79 12.816,80 0.384,81 0.963,82 26.463,83 7.687,84 33.008,85 9.956,86 0.138,87 0.772,88 18.09,89 6.319,90 17.591,91 8.328,92 0.216,93 0.707,94 18.119,95 5.945,96 27.384,97 7.614,98 0.317,99 0.599,100 18.505,101 5.646,102 32.218,103 7.371,104 7,105 29,106 0.292,107 0.523,108 0.774,109 0.812,110 0.812,111 0.812,112 3.011,113 1.135,114 -3.31,115 -3.3,116 -3.16,119 35.9,120 1,121 4,122 1,125 4,146 1,152 1,157 1,162 1,172 5,174 1,175 4,183 5,186 1,187 3,195 5,198 1,199 5,207 3,211 2,212 5,220 1,224 3,232 1,237 2,245 1,249 1,250 3,263 1,275 360,276 13.093,277 13.093,278 13.093,279 13.093,280 13.093,281 12.432,282 17.733,283 7.921,284 13.549,285 10.375,286 10.375,287 10.375,288 10.375,289 10.375,290 9.21,291 23.036,292 3.728,293 11.136,294 3.686,295 2.422,296 1.045,297 0.84,298 0.84,299 0.84,300 3.692,303 1,304 1,305 1,306 337,307 2.236,310 36.016,311 101.271,314 68.83,318 1.357,319 18.413,320 1,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 41,331 157,332 4.478,333 3.674,334 6.577,335 4.094,336 3.157,337 4.121,338 1.277,339 10.489,340 2.987,341 3.854,342 3.138,343 6.045,344 3.633,345 2.709,346 3.062,347 0.86,348 8.698,349 2.47,350 3.329,351 2.717,352 5.291,353 3.236,354 2.263,355 2.433,356 0.8,357 6.745,358 2.2,359 3.294,360 2.363,361 5.066,362 2.988,363 1.989,364 2.346,366 5.805,367 1.973,368 2.824,369 2.175,370 4.376,371 2.555,372 1.673,373 1.863,375 4.199,376 1.456,377 2.353,378 1.448,379 3.756,380 2.116,381 1.163,382 1.289,384 2.678,385 1.104,386 2.145,387 1.256,388 3.483,389 1.952,390 1,391 1.096,393 2.336,394 0.946,395 2.019,396 1.197,397 3.247,398 1.871,399 1,400 1,402 2.136,403 0.859,404 2,405 1.082,406 3.118,407 1.613,408 0.713,409 0.929,411 1.563,412 0.621,413 1.028,414 0.446,415 2.684,416 0.735,417 -0.256,418 -0.288,420 -0.556,421 -0.248,422 0.724,423 -0.137,424 2.393,425 0.628,426 -0.398,427 -0.442,428 -0.843,429 -0.405,430 0.431,431 -0.36,432 2.284,433 0.252,434 -0.679,435 -0.729,436 -1.563,437 -0.628,438 0.176,439 -0.469,440 1.627,441 -0.047,442 -1,443 -1,445 -2.347,446 -0.846,447 0.02,448 -0.798,449 1.555,450 -0.149,451 -1,452 -1.081,454 -2.497,455 -0.931,457 -0.968,458 1.551,459 -0.244,460 -1.251,461 -1.557,463 -3.506,464 -1.191,465 9.3,466 0.489,467 0.397,468 0.021,469 18.5,470 0.974,471 6,472 0.316,473 12.5,474 0.658,475 19.268,476 1.014,477 21.9,478 0.562,479 9.435,480 0.497,481 2.946,482 0.155,483 6.329,484 0.333,485 0.09,487 0.312,493 0.723,494 1.423,495 0.78,496 1.105,497 0.529,498 1.078,499 1.038,500 1.11,501 0.839,502 0.945,503 0.647,504 0.943,505 0.983,506 0.957,507 0.846,508 0.859,509 0.978,510 0.914,511 0.703,512 1.166,513 1.364,514 1.314,515 0.849,516 1.06,517 1.03,518 0.983,519 1.3,520 1.14,521 1.357,522 1.03,523 1.029,524 1.117,525 1.034,526 1.118,527 1.239,528 1.127,529 1.597,530 1.115,531 1.261,532 1.167,533 2.349,534 1.262,535 1.197,536 0.964,537 1.16,538 1.071,539 1.32,540 1.088,541 3.5,542 0.021,543 1.778,544 1.257,545 1.086,546 0.622,547 0.305,548 0.169,549 0.057,550 0.026,551 3186,552 7279,553 2.113,554 51.3,555 8,556 8,560 4,564 1.604,565 2,566 3.039,567 -0.724,569 1,571 1,573 62.389,574 1.6,575 2.864,576 4.24,577 4.446,578 4.446,579 4.446,580 2.55,581 3.827,582 4.214,583 3.127,584 534.663,585 7.186,586 5116.39,587 1,588 1,589 1,590 1,591 206.131,592 1.324,593 4.189,594 0.167,595 0.007,596 0.061,597 0.045,598 0.043,599 0.031,600 0.017,601 0.013,602 0.007,603 0.005,604 0.397,605 0.67,606 1,607 1.013,608 81.587,609 0.007,610 -0.197,611 0.093,612 -0.026,613 0.019,614 -0.002,615 -0.032,616 -0.003,617 0.112,618 0.058,620 0.052,621 -0.012,622 0.057,623 0.112,624 0.112,625 -0.039,626 0.061,627 0.048,628 -0.109,629 -0.083,630 -0.114,631 0.067,632 -0.029,633 0.007,634 0.075,635 -0.142,636 -0.075,637 -0.108,638 -0.062,639 -0.087,640 -0.104,641 -0.125,642 -0.153,643 -0.039,644 -0.141,645 -0.275,646 -0.137,647 -0.312,648 -0.217,649 -0.291,650 -0.312,651 0.05,652 -0.113,653 -0.176,654 -0.142,655 0.029,656 -0.151,657 1.364,658 5.194,659 0.789,660 13.945,661 0.997,662 1.13,663 2.085,664 4.346,665 0.652,666 3.091,667 3.401,668 3.689,669 3.989,670 4.205,671 4.317,672 4.407,673 4.5,674 4.454,675 4.357,676 4.783,677 0.6,678 280.43,679 3.091,680 4.615,681 5.468,682 6.351,683 7.228,684 8.122,685 9.009,686 9.908,687 10.8,688 11.702,689 5.1,695 1,699 1,705 1,708 1,709 3,711 5,716 1,726 1,731 39,733 6,735 21,737 41,738 14,739 3,742 1,746 3,747 4,752 1,755 2,756 1,758 4,761 4,762 10,763 1,766 1,771 1,775 1,777 1,778 1,781 20,782 4,784 5,785 1,790 2,794 0.667,795 2,811 1,812 2,815 1,839 1,840 2,842 1,844 1,848 19,854 8,856 1,858 1,859 1,863 1,870 5.1,873 1,874 1,877 9.5,878 7.233,879 4.25,880 2.767,881 1.079,882 1.162,883 0.959,884 4.061,885 7.75,886 3.239,887 3.72,888 4.232,889 4.771,890 5.088,891 5.415,892 5.571,893 5.743,894 5.747,895 5.596,896 0.833,897 28,898 7.112,900 3.035,901 7.57,902 14.139,904 12.07,905 2.07,906 39.333,907 0.003,910 235.422,911 73.387,912 19.91,914 36.145,916 31.278,917 42.109,918 271.567,919 19.91,920 8.825,921 23.534,923 58.064,924 6.382,925 1.358,926 266.7,928 235.422,929 62.019,930 36.145,931 31.278,933 235.422,934 25.145,935 11,937 35.617,938 9.616,939 16.786,940 31.278,941 235.422,942 56.055,943 73.387,946 235.422,947 64.561,948 11.95,950 52.93,951 235.422,952 56.055,953 73.387,955 0.569,956 0.334,957 0.193,958 0.107,959 15,960 6,961 0.073,962 3,963 1,964 1.133,965 3.173,966 141.612,967 0.133,968 15,969 76.711,970 1,974 13.351,975 5.779,976 2.785,978 56.055,980 4.725,983 1.58,984 2.967,987 364.863,988 24.5,993 12.194,997 0.303,999 38.887,1000 44.072,1001 0.303,1002 0.542,1003 0.802,1004 0.841,1005 0.841,1006 0.841,1007 4.491,1008 1,1009 5.442,1010 2.336,1011 4.078,1012 4.401,1013 1.903,1014 6.256,1015 3.949,1016 5.638,1017 0.713,1018 6.995,1019 2.136,1020 3.611,1021 4.182,1022 0.325,1023 7.125,1024 3.452,1025 6.924,1026 -0.256,1027 8.649,1028 1.563,1029 5.659,1030 6.439,1031 2.065,1032 10.254,1033 5.416,1034 8.245,1035 -0.398,1036 10.364,1037 -0.556,1038 6.043,1039 7.137,1040 0.268,1041 11.964,1042 5.748,1043 9.608,1044 -0.679,1045 12.118,1046 -0.843,1047 7.544,1048 8.866,1049 2.377,1050 14.587,1051 7.183,1052 10.998,1053 -1,1054 13.898,1055 -1.563,1056 8.326,1057 9.971,1058 0.188,1059 16.648,1060 7.905,1061 12.41,1062 -1,1063 15.696,1064 -2.347,1065 9.603,1066 11.503,1067 2.77,1068 19.091,1069 9.124,1070 3.157,1071 -1.251,1072 17.509,1073 -2.497,1074 10.576,1075 12.787,1076 0.125,1077 21.306,1078 10.035,1079 2.709,1080 10.489,1081 19.332,1082 -3.506,1083 11.762,1084 14.245,1085 3.207,1086 23.683,1087 11.168,1088 2.263,1089 8.698,1090 21.164,1091 4.121,1092 12.824,1093 15.605,1094 0.082,1095 25.967,1096 12.171,1097 1.989,1098 6.745,1099 23.002,1100 3.062,1101 13.976,1102 17.035,1103 3.668,1104 28.32,1105 13.271,1106 1.673,1107 5.805,1108 24.847,1109 2.433,1110 15.08,1111 18.427,1112 0.054,1113 30.636,1114 14.318,1115 1.163,1116 4.199,1117 26.696,1118 2.346,1119 16.221,1120 19.848,1121 4.142,1122 32.982,1123 15.408,1124 1,1125 2.678,1126 28.549,1127 1.863,1128 17.345,1129 21.253,1130 0.035,1131 35.313,1132 16.477,1133 3139,1134 4865,1135 14.216,1136 25.421,1137 31.591,1138 32.627,1139 32.205,1140 31.231,1141 31.332,1142 36.277,1143 5.875,1144 89.297,1145 29.229,1146 5.478,1147 5.559,1148 6.379,1149 5.224,1150 5.157,1151 6.79,1152 2.555,1153 17.429,1154 4.987,1155 7.438,1156 1.504,1157 1.554,1158 1.534,1159 1.487,1160 1.492,1161 1.727,1162 0.28,1163 4.252,1164 1.392,1165 4.009,1166 4.035,1167 4.271,1168 3.962,1169 7.427,1170 3.92,1171 3.756,1172 3.813,1173 3.647,1174 3.587,1175 4.799,1176 3.577,1177 3.59,1178 3.645,1179 3.545,1180 3.456,1181 4.578,1182 3.437,1183 3.307,1184 3.36,1185 3.235,1186 3.173,1187 4.166,1188 3.135,1189 3.111,1190 3.206,1191 3.001,1192 2.941,1193 3.858,1194 2.91,1195 3.1,1196 3.143,1197 2.866,1198 2.899,1199 3.645,1200 2.905,1201 2.832,1202 2.915,1203 2.67,1204 2.587,1205 3.474,1206 2.575,1207 2.65,1208 2.759,1209 2.573,1210 2.389,1211 3.279,1212 2.362,1213 0.213,1214 0.175,1215 0.313,1216 0.195,1217 0.15,1218 4.478,1219 0.196,1220 3.674,1221 0.061,1222 6.577,1223 0.499,1224 4.094,1225 0.142,1226 3.157,1227 4.121,1228 1.277,1229 10.489,1230 2.987,1231 1.872,1232 1.839,1233 2.052,1234 2,1235 1.425,1236 2.019,1237 1.708,1238 1.654,1239 1.911,1240 1.949,1241 1.199,1242 1.944,1243 1.543,1244 1.487,1245 1.799,1246 1.72,1247 1.033,1248 1.754,1249 1.204,1250 1.187,1251 1.513,1252 1.4,1253 0.825,1254 1.429,1255 1.153,1256 1.064,1257 1.361,1258 1.376,1259 0.589,1260 1.395,1261 1.08,1262 1.019,1263 1.333,1264 1.27,1265 0.551,1266 1.299,1267 0.935,1268 0.888,1269 1.12,1270 1.166,1271 0.384,1272 1.192,1273 0.656,1274 0.549,1275 0.968,1276 0.92,1277 0.217,1278 0.976,1279 3.761,1281 5.069,1282 2.398,1283 6.581,1284 4.727,1285 8.188,1286 6.862,1287 9.847,1289 2.181,1295 7.274,1297 5.362,1299 0.504,1300 2.245,1305 23.401,1306 62.389,1307 111.692,1308 165.376,1309 173.376,1310 173.376,1311 173.376,1312 29.617,1313 6.671,1314 42.43,1315 70.67,1316 17,1317 12.225,1318 2.807,1319 2.17,1320 27.78,1321 56,1322 57,1323 0.264,1324 146.813,1325 252.95,1326 349.983,1327 5861,1329 13.242,1330 0.697,1331 0.641,1332 13.596,1333 12.17,1334 9.275,1335 0.442,1336 0.378,1337 7.107,1338 8.493,1339 6.871,1340 5.65,1341 9.683,1342 7.948,1343 8.157,1344 0.281,1345 0.218,1346 8.773,1347 6.335,1348 6.871,1349 0.176,1350 0.13,1351 7.777,1352 5.073,1353 6.029,1354 0.114,1355 0.075,1356 6.93,1357 3.992,1358 4.704,1359 0.071,1360 0.043,1361 5.549,1362 2.835,1363 0.401,1364 62.294,1365 0.265,1366 18.828,1367 0.762,1368 100,1369 277.622,1370 136.242,1371 279.49,1372 379.79,1373 264,1374 118,1375 255.649,1376 153.811,1377 271.171,1378 405.28,1379 256,1380 5.076}
{0 CHEMBL466956,1 1.68,2 7,3 1.749,4 3.058,5 68.458,6 7.648,7 0.263,8 3.611,9 3.719,10 3.278,11 3.173,12 4.561,13 3.115,14 4.234,15 4.415,16 3.706,17 3.594,18 5.136,19 3.515,20 4.459,21 4.674,22 3.726,23 3.716,24 5.37,25 3.581,26 4.439,27 4.684,28 3.543,29 3.642,30 5.379,31 3.448,32 4.119,33 4.335,34 3.245,35 3.308,36 5.139,37 3.16,38 3.772,39 3.93,40 2.912,41 3.127,42 4.646,43 3.006,44 3.954,45 4.181,46 2.729,47 3.058,48 4.857,49 2.924,50 4.012,51 4.301,52 2.329,53 2.844,54 4.896,55 2.623,56 0.011,57 0.5,58 7.597,59 3.479,60 2.809,61 4.311,62 0.213,63 0.86,64 17.413,65 5.751,66 13.314,67 7.485,68 0.324,69 0.999,70 22.916,71 7.668,72 25.902,73 9.675,74 0.261,75 0.982,76 28.861,77 8.793,78 30.088,79 10.451,80 0.389,81 0.708,82 20.477,83 5.378,84 33.69,85 6.358,86 0.053,87 0.516,88 11.125,89 4.256,90 3.773,91 5.25,92 0.15,93 0.519,94 11.881,95 4.344,96 19.226,97 5.84,98 0.309,99 0.468,100 14.486,101 4.65,102 35.245,103 6.332,104 5,105 27,106 0.319,107 0.555,108 0.769,109 0.792,110 0.792,111 0.792,112 2.91,113 1.091,114 -2.78,115 -2.79,116 -2.71,119 36.4,120 1,121 2,122 1,125 4,146 1,152 1,157 1,162 1,172 3,174 1,175 4,183 3,186 1,187 3,195 2,198 1,199 5,207 1,211 2,212 3,220 1,224 1,237 1,249 1,250 2,263 1,275 260,276 11.516,277 11.516,278 11.516,279 11.516,280 11.516,281 10.855,282 17.733,283 6.809,284 11.971,285 9.41,286 9.41,287 9.41,288 9.41,289 9.41,290 8.244,291 23.036,292 3.278,293 10.171,294 3.364,295 2.121,296 0.993,297 0.871,298 0.871,299 0.871,300 3.585,304 1,305 1,306 259,307 1.732,310 29.593,311 86.35,314 58.136,318 1.059,319 17.477,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 37,331 119,332 4.476,333 3.672,334 6.573,335 4.087,336 3.153,337 4.121,338 1.277,339 10.47,340 2.974,341 3.847,342 3.138,343 6.042,344 3.621,345 2.697,346 3.058,347 0.86,348 8.671,349 2.458,350 3.305,351 2.706,352 5.067,353 3.101,354 2.137,355 2.432,356 0.8,357 5.963,358 2.06,359 3.186,360 2.306,361 5.017,362 2.984,363 1.98,364 2.216,366 5.793,367 1.973,368 2.809,369 2.101,370 4.367,371 2.545,372 1.661,373 1.845,375 4.162,376 1.447,377 2.287,378 1.407,379 3.654,380 1.952,381 1.049,382 1.19,384 2.6,385 0.946,386 2.144,387 1.256,388 3.483,389 1.888,390 1,391 1.042,393 2.136,394 0.871,395 2,396 1.191,397 3.247,398 1.645,399 0.754,400 1,402 2.111,403 0.65,404 1.028,405 0.476,406 2.7,407 0.73,408 -0.273,409 -0.32,411 -0.748,412 -0.268,413 0.612,414 -0.164,415 2.393,416 0.459,417 -0.55,418 -0.611,420 -1.319,421 -0.548,422 0.424,423 -0.36,424 2.36,425 0.244,426 -0.68,427 -0.729,428 -1.578,429 -0.629,430 0.124,431 -0.487,432 1.566,433 -0.149,434 -1,435 -1,436 -2.347,437 -0.846,439 -0.966,440 1.555,441 -0.192,442 -1.165,443 -1.365,445 -3.448,446 -1.1,447 -0.078,448 -1.215,449 1.446,450 -0.43,451 -1.36,452 -1.569,454 -3.77,455 -1.205,456 -0.313,457 -1.293,458 1.303,459 -0.545,460 -1.544,461 -1.894,463 -4.707,464 -1.578,465 8.3,466 0.488,467 0.435,468 0.026,469 17.5,470 1.029,471 6,472 0.353,473 11.5,474 0.676,475 15.767,476 0.927,477 19.3,478 0.585,479 8.932,480 0.525,481 2.946,482 0.173,483 5.291,484 0.311,485 0.1,487 0.349,493 0.725,494 1.41,495 0.734,496 1.06,497 0.528,498 1.024,499 1.056,500 1.057,501 0.8,502 0.877,503 0.648,504 0.861,505 1.036,506 0.996,507 0.888,508 0.888,509 1.03,510 0.962,511 0.729,512 1.16,513 1.427,514 1.342,515 0.851,516 1.039,517 1.342,518 0.924,519 1.604,520 1.213,521 1.727,522 1.062,523 0.855,524 1.421,525 1.361,526 1.561,527 0.753,528 1.485,529 1.21,530 1.014,531 0.827,532 0.964,533 1.699,534 1.21,535 1.063,536 0.801,537 0.712,538 0.774,539 1.322,540 1.011,541 3.5,543 1.778,544 1.257,545 0.966,546 0.476,547 0.209,548 0.129,549 0.057,550 0.016,551 2332,552 5877,553 2.127,554 48.5,555 4,556 8,560 4,564 1.571,565 2,566 2.839,567 -0.692,569 1,570 1,571 1,573 55.445,574 1.68,575 2.923,576 4.052,577 4.173,578 4.173,579 4.173,580 2.257,581 3.264,582 4.061,583 2.904,584 394.929,585 6.871,586 3462.86,587 1,588 1,590 1,591 166.465,592 1.379,593 4.023,594 0.184,596 0.066,597 0.05,598 0.046,599 0.032,600 0.016,601 0.013,602 0.011,603 0.016,604 0.434,605 0.67,606 1,607 0.604,608 69.089,609 -0.009,610 -0.221,611 0.091,612 -0.03,613 0.007,614 -0.005,615 -0.061,616 0.035,617 0.13,618 0.101,619 -0.009,620 0.102,621 -0.056,622 0.022,623 0.063,624 0.077,625 -0.078,626 -0.001,627 0.042,628 -0.119,629 -0.092,630 -0.121,631 0.091,632 -0.011,633 -0.125,634 0.198,635 -0.313,636 -0.082,637 -0.237,638 -0.123,639 -0.103,640 -0.337,641 -0.428,642 -0.506,643 -0.036,644 -0.472,645 -0.154,646 -0.147,647 -0.181,648 -0.204,649 -0.163,650 -0.278,651 0.119,652 -0.091,653 0.012,654 -0.032,655 0.029,656 -0.085,657 1.393,658 4.919,659 0.882,660 9.806,661 1.004,662 1.129,663 1.549,664 2.401,665 0.664,666 2.996,667 3.332,668 3.611,669 3.912,670 4.111,671 4.19,672 4.234,673 4.304,674 4.22,675 4.043,676 4.22,677 0.617,678 252.37,679 2.996,680 4.533,681 5.389,682 6.279,683 7.155,684 8.052,685 8.938,686 9.838,687 10.728,688 11.63,689 6.1,695 1,699 1,705 1,708 1,709 3,711 5,716 1,726 1,731 33,733 6,735 19,737 35,738 12,739 3,742 1,746 3,747 4,752 1,755 2,756 1,758 2,761 4,762 8,763 1,766 1,771 1,775 1,778 1,781 16,782 4,784 5,785 1,790 2,794 0.667,795 2,811 1,812 2,815 1,839 1,840 2,842 1,844 1,848 17,854 6,856 1,858 1,859 1,863 1,870 6.1,873 1,874 1,877 8.5,878 6.233,879 3.667,880 2.183,881 1.092,882 1.169,883 0.97,884 3.073,885 7.544,886 3.157,887 3.67,888 4.188,889 4.737,890 5.038,891 5.346,892 5.456,893 5.581,894 5.529,895 5.259,896 0.8,897 25,898 6.349,900 2.744,901 7.637,902 12.506,904 10.731,905 2.137,906 36.333,907 0.004,910 188.338,911 68.318,912 19.91,914 36.145,916 31.278,917 37.04,918 224.482,919 19.91,920 8.825,921 18.465,923 58.064,924 6.382,925 1.358,926 219.615,928 188.338,929 56.95,930 36.145,931 31.278,933 188.338,934 25.145,935 11,937 30.548,938 9.616,939 16.786,940 31.278,941 188.338,942 56.055,943 68.318,946 188.338,947 59.492,948 11.95,950 52.93,951 188.338,952 56.055,953 68.318,955 0.585,956 0.339,957 0.192,958 0.105,959 15,960 6,961 0.029,962 1,963 1,964 1.133,965 2.966,966 123.273,967 0.133,968 15,969 65.487,970 1,974 11.454,975 4.56,976 2.194,978 56.055,980 4.643,983 1.562,984 2.908,987 312.71,988 22.5,993 11.919,997 0.274,999 33.12,1000 37.242,1001 0.333,1002 0.579,1003 0.803,1004 0.827,1005 0.827,1006 0.827,1007 4.422,1008 0.754,1009 5.38,1010 2.136,1011 4.007,1012 4.35,1013 1.903,1014 6.201,1015 3.869,1016 5.587,1017 -0.273,1018 6.94,1019 2.111,1020 3.611,1021 4.182,1022 0.325,1023 7.081,1024 3.452,1025 6.882,1026 -0.55,1027 8.6,1028 -0.748,1029 5.602,1030 6.413,1031 2.065,1032 10.205,1033 5.342,1034 8.21,1035 -0.68,1036 10.318,1037 -1.319,1038 6.019,1039 7.129,1040 0.268,1041 11.92,1042 5.715,1043 9.578,1044 -1,1045 12.074,1046 -1.578,1047 7.496,1048 8.853,1049 2.377,1050 14.548,1051 7.114,1052 10.971,1053 -1.165,1054 13.856,1055 -2.347,1056 8.295,1057 9.965,1058 0.188,1059 16.613,1060 7.857,1061 12.386,1062 -1.36,1063 15.656,1064 -3.448,1065 9.563,1066 11.497,1067 2.77,1068 19.06,1069 9.059,1070 3.153,1071 -1.544,1072 17.471,1073 -3.77,1074 10.544,1075 12.784,1076 0.125,1077 21.277,1078 9.981,1079 2.697,1080 10.47,1081 19.297,1082 -4.707,1083 11.728,1084 14.242,1085 3.207,1086 23.655,1087 11.105,1088 2.137,1089 8.671,1090 21.131,1091 4.121,1092 12.794,1093 15.602,1094 0.082,1095 25.939,1096 12.112,1097 1.98,1098 5.963,1099 22.972,1100 3.058,1101 13.945,1102 17.033,1103 3.668,1104 28.293,1105 13.207,1106 1.661,1107 5.793,1108 24.819,1109 2.432,1110 15.05,1111 18.425,1112 0.054,1113 30.607,1114 14.255,1115 1.049,1116 4.162,1117 26.67,1118 2.216,1119 16.192,1120 19.846,1121 4.142,1122 32.953,1123 15.341,1124 1,1125 2.6,1126 28.525,1127 1.845,1128 17.315,1129 21.251,1130 0.035,1131 35.282,1132 16.408,1133 2282,1134 3712,1135 12.83,1136 21.898,1137 29.162,1138 30.175,1139 29.427,1140 28.742,1141 28.861,1142 33.809,1143 5.875,1144 83.809,1145 26.757,1146 5.476,1147 5.544,1148 6.375,1149 5.215,1150 5.153,1151 6.789,1152 2.555,1153 17.409,1154 4.974,1155 6.663,1156 1.535,1157 1.588,1158 1.549,1159 1.513,1160 1.519,1161 1.779,1162 0.309,1163 4.411,1164 1.408,1165 4.002,1166 4.026,1167 4.271,1168 3.956,1169 7.427,1170 3.912,1171 3.744,1172 3.799,1173 3.628,1174 3.549,1175 4.8,1176 3.554,1177 3.447,1178 3.492,1179 3.492,1180 3.362,1181 4.579,1182 3.312,1183 3.164,1184 3.206,1185 3.065,1186 2.941,1187 4.095,1188 2.958,1189 3.111,1190 3.2,1191 2.866,1192 2.937,1193 3.708,1194 2.91,1195 2.876,1196 2.961,1197 2.747,1198 2.677,1199 3.474,1200 2.637,1201 2.691,1202 2.785,1203 2.618,1204 2.409,1205 3.368,1206 2.399,1207 2.366,1208 2.438,1209 2.2,1210 2.091,1211 3.212,1212 2.076,1213 0.236,1214 0.193,1215 0.346,1216 0.215,1217 0.166,1218 4.476,1219 0.217,1220 3.672,1221 0.067,1222 6.573,1223 0.551,1224 4.087,1225 0.157,1226 3.153,1227 4.121,1228 1.277,1229 10.47,1230 2.974,1231 1.846,1232 1.816,1233 2.015,1234 1.977,1235 1.347,1236 1.991,1237 1.708,1238 1.653,1239 1.91,1240 1.946,1241 1.199,1242 1.943,1243 1.272,1244 1.255,1245 1.513,1246 1.44,1247 0.825,1248 1.468,1249 1.179,1250 1.121,1251 1.495,1252 1.399,1253 0.645,1254 1.429,1255 1.153,1256 1.064,1257 1.36,1258 1.376,1259 0.583,1260 1.393,1261 0.951,1262 0.912,1263 1.121,1264 1.169,1265 0.392,1266 1.192,1267 0.683,1268 0.586,1269 0.943,1270 0.93,1271 0.207,1272 0.979,1273 0.51,1274 0.418,1275 0.785,1276 0.812,1278 0.854,1279 3.664,1281 4.99,1282 2.398,1283 6.515,1284 4.727,1285 8.13,1286 6.862,1287 9.793,1289 2.12,1295 4.912,1297 5.33,1299 0.439,1300 2.227,1305 20.347,1306 55.445,1307 96.465,1308 133.71,1309 137.71,1310 137.71,1311 137.71,1312 24.298,1313 6.452,1314 42.43,1315 70.67,1316 17,1317 12.153,1318 2.807,1319 2.17,1320 23.691,1321 44,1322 38,1323 0.286,1324 127.628,1325 218.35,1326 303.173,1327 4430,1329 11.828,1330 0.696,1331 0.633,1332 12.182,1333 10.756,1334 8.237,1335 0.434,1336 0.364,1337 6.069,1338 7.455,1339 5.844,1340 4.776,1341 8.645,1342 6.91,1343 7.607,1344 0.282,1345 0.214,1346 8.223,1347 5.786,1348 6.313,1349 0.175,1350 0.125,1351 7.218,1352 4.496,1353 5.583,1354 0.114,1355 0.071,1356 6.484,1357 3.491,1358 4.262,1359 0.071,1360 0.043,1361 5.135,1362 2.558,1363 0.427,1364 56.066,1365 0.279,1366 16.832,1367 0.847,1368 92,1369 269.622,1370 128.242,1371 271.392,1372 367.79,1373 256,1374 109,1375 246.649,1376 144.811,1377 262.277,1378 391.78,1379 247,1380 5.603}
{0 CHEMBL466957,1 1.608,2 9.091,3 2.781,4 7.734,5 88.553,6 7.861,7 0.44,8 3.804,9 3.905,10 3.487,11 3.422,12 4.803,13 3.369,14 4.394,15 4.551,16 3.897,17 3.842,18 5.342,19 3.767,20 4.643,21 4.846,22 3.936,23 3.976,24 5.557,25 3.852,26 4.63,27 4.841,28 3.802,29 3.951,30 5.573,31 3.784,32 4.524,33 4.752,34 3.673,35 3.777,36 5.499,37 3.641,38 4.313,39 4.505,40 3.564,41 3.635,42 5.349,43 3.537,44 4.314,45 4.522,46 3.388,47 3.53,48 5.321,49 3.389,50 4.21,51 4.466,52 3.039,53 3.261,54 5.148,55 3.096,57 0.574,58 8.317,59 4.066,60 3.951,61 4.958,62 0.184,63 1.022,64 18.37,65 6.927,66 14.751,67 8.595,68 0.302,69 1.244,70 25.575,71 9.542,72 29.039,73 11.766,74 0.215,75 1.272,76 31.129,77 10.967,78 29.985,79 12.867,80 0.333,81 1.114,82 27.042,83 8.91,84 34.23,85 10.864,86 0.116,87 0.872,88 16.467,89 6.611,90 21.654,91 8.311,92 0.183,93 0.841,94 19.582,95 7.179,96 32.63,97 8.495,98 0.346,99 0.721,100 19.341,101 6.322,102 40.37,103 7.704,104 2,105 35,106 0.286,107 0.602,108 0.739,109 0.791,110 0.803,111 0.803,112 3.148,113 1.024,114 -3.8,115 -3.77,116 -3.58,119 42.5,121 2,122 1,125 4,142 5,143 1,146 1,152 1,157 1,162 1,172 9,174 1,175 4,183 11,186 1,187 3,195 11,198 1,199 5,207 6,211 2,212 7,220 3,224 5,232 2,237 5,245 2,249 1,250 4,258 1,263 2,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.904,282 19.448,283 9.176,284 15.747,285 12.398,286 12.398,287 12.398,288 12.398,289 12.398,290 10.219,291 23.542,292 4.421,293 13.159,294 3.714,295 1.933,296 1.159,297 0.869,298 0.8,299 0.8,300 3.85,303 1,304 1,305 1,306 446,307 1.871,310 42.726,311 181.449,314 79.05,318 1.554,319 19.376,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47,331 200,332 4.488,333 3.689,334 6.598,335 4.124,336 3.177,337 4.125,338 1.277,339 10.563,340 3.046,341 4.055,342 3.138,343 6.145,344 3.759,345 2.814,346 3.541,347 0.86,348 9.093,349 2.657,350 3.801,351 3.017,352 5.978,353 3.53,354 2.575,355 3.039,356 0.8,357 8.406,358 2.42,359 3.303,360 2.642,361 5.067,362 2.991,363 2,364 2.432,366 5.808,367 1.973,368 3.146,369 2.243,370 4.556,371 2.809,372 1.827,373 2.327,375 4.74,376 1.792,377 2.839,378 1.852,379 4.352,380 2.55,381 1.657,382 1.89,384 4.104,385 1.455,386 2.54,387 1.461,388 3.726,389 2.162,390 1.204,391 1.545,393 2.861,394 1.147,395 2.5,396 1.256,397 3.483,398 2,399 1,400 1.5,402 2.526,403 1,404 2.189,405 1.203,406 3.43,407 1.952,408 1,409 1.13,411 2.136,412 0.946,413 2.141,414 1.118,415 3.247,416 1.867,417 1,418 1,420 2.136,421 0.856,422 2,423 1,424 3.247,425 1.583,426 0.683,427 0.971,428 1.905,429 0.594,430 1.028,431 0.422,432 2.713,433 0.727,434 -0.287,435 -0.341,436 -0.78,437 -0.284,438 0.77,439 -0.177,440 2.525,441 0.421,442 -0.582,443 -0.72,445 -1.396,446 -0.579,447 0.5,448 -0.36,449 2.393,450 0.249,451 -0.68,452 -0.729,454 -1.57,455 -0.629,456 0.438,457 -0.475,458 1.906,460 -1,461 -1,463 -2.347,464 -0.846,465 10.8,466 0.491,467 0.448,468 0.02,469 26.5,470 1.205,471 12,472 0.545,473 14.5,474 0.659,475 18.924,476 0.86,477 23.4,478 0.585,479 15.873,480 0.721,481 4.903,482 0.223,483 5.907,484 0.269,485 0.031,487 0.315,493 0.712,494 1.226,495 0.716,496 0.964,497 0.527,498 0.924,499 1.083,500 1.046,501 0.857,502 0.915,503 0.697,504 0.909,505 1.033,506 0.953,507 0.904,508 0.884,509 1.041,510 0.949,511 0.745,512 1.204,513 1.477,514 1.385,515 0.912,516 1.154,517 0.844,518 0.97,519 1.204,520 1.107,521 1.013,522 0.969,523 1.105,524 1.045,525 0.841,526 0.951,527 1.372,528 1.035,529 1.411,530 1.099,531 1.159,532 1.118,533 2.075,534 1.124,535 1.389,536 0.806,537 1.07,538 0.86,539 1.59,540 0.904,541 3.5,542 0.016,543 2.222,544 1.194,545 1.157,546 0.757,547 0.361,548 0.266,549 0.094,550 0.009,551 5212,552 12942,553 2.205,554 45,555 1,556 13,560 4,564 1.645,565 2.129,566 3.181,567 -0.762,568 1,569 1,571 1,573 64.332,574 1.608,575 3.389,576 4.163,577 4.453,578 4.522,579 4.522,580 2.659,581 3.914,582 4.429,583 3.288,584 759.438,585 7.611,586 8105.79,587 1,588 1,589 1,590 1,591 212.877,592 1.143,593 4.418,594 0.14,595 0.002,596 0.063,597 0.035,598 0.039,599 0.028,600 0.014,601 0.014,602 0.007,603 0.001,604 0.344,605 0.5,606 1,607 0.405,608 100.138,610 -0.142,611 0.085,612 -0.006,613 0.012,614 0.015,615 -0.067,616 0.022,617 0.058,618 0.042,619 -0.043,620 0.019,621 -0.046,622 0.057,623 0.049,624 0.079,625 -0.089,626 0.008,627 0.014,628 -0.153,629 -0.197,630 -0.204,631 0.022,632 -0.135,633 0.083,634 0.069,635 -0.069,636 -0.053,637 0.029,638 0.013,639 -0.089,640 -0.065,641 -0.025,642 -0.066,643 -0.021,644 -0.095,645 -0.167,646 -0.155,647 -0.141,648 -0.125,649 -0.175,650 -0.16,651 0.009,652 0.096,653 -0.032,654 0.101,655 -0.03,656 0.068,657 1.424,658 5.493,659 0.955,660 17.818,661 1,662 1.116,663 2.575,664 6.629,665 0.691,666 3.258,667 3.584,668 3.892,669 4.19,670 4.443,671 4.543,672 4.71,673 4.852,674 4.927,675 4.949,676 5.316,677 0.647,678 314.44,679 3.258,680 4.796,681 5.659,682 6.544,683 7.427,684 8.321,685 9.213,686 10.112,687 11.009,688 11.912,689 5,695 1,699 1,704 5,705 1,708 1,709 4,711 11,716 1,726 1,731 40,733 12,734 1,735 25,737 43,738 17,739 9,740 1,741 5,742 1,746 4,747 5,755 2,756 1,758 2,761 10,762 7,763 1,766 1,771 1,775 1,777 1,778 1,781 18,782 4,784 5,785 1,790 2,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,848 22,854 6,856 1,858 1,859 1,863 1,870 5,873 1,874 1,877 10.333,878 7.15,879 4.778,880 2.544,881 1.997,882 1.275,883 1.007,884 3.869,885 9.255,886 3.481,887 4.021,888 4.571,889 5.113,890 5.523,891 5.745,892 6.051,893 6.373,894 6.672,895 6.899,896 1,897 34,898 8.201,900 3.576,901 7.591,902 16.109,904 13.885,905 2.091,906 46,907 0.001,909 1,910 211.88,911 110.059,912 19.91,914 36.145,916 31.278,917 78.781,918 248.025,919 19.91,921 18.465,922 47.381,923 58.064,924 9.567,925 1.358,926 243.158,928 211.88,929 98.691,930 36.145,931 31.278,933 211.88,934 25.145,935 11,937 21.723,938 60.183,939 16.786,940 31.278,941 211.88,942 56.055,943 110.059,946 211.88,947 62.678,948 50.506,950 52.93,951 211.88,952 56.055,953 110.059,955 0.578,956 0.341,957 0.192,958 0.108,959 19,960 7,961 0.047,962 2,963 1,964 1.095,965 3.519,966 180.642,967 0.095,968 21,969 90.107,970 1,974 14.194,975 5.997,976 2.799,978 56.055,979 10.306,980 4.769,983 1.557,984 4.072,987 377.994,988 31.5,993 12.493,997 0.243,999 40.003,1000 44.657,1001 0.302,1002 0.637,1003 0.782,1004 0.837,1005 0.85,1006 0.85,1007 4.725,1008 1,1009 5.631,1010 2.861,1011 4.263,1012 4.705,1013 1.903,1014 6.447,1015 4.157,1016 5.892,1017 1,1018 7.185,1019 2.526,1020 3.761,1021 4.369,1022 0.325,1023 7.322,1024 3.626,1025 7.18,1026 1,1027 8.841,1028 2.136,1029 5.849,1030 6.789,1031 2.065,1032 10.458,1033 5.652,1034 8.502,1035 0.683,1036 10.561,1037 2.136,1038 6.217,1039 7.341,1040 0.268,1041 12.181,1042 5.975,1043 9.863,1044 -0.287,1045 12.319,1046 1.905,1047 7.739,1048 9.198,1049 2.377,1050 14.801,1051 7.453,1052 11.25,1053 -0.582,1054 14.105,1055 -0.78,1056 8.511,1057 10.168,1058 0.188,1059 16.864,1060 8.175,1061 12.656,1062 -0.68,1063 15.909,1064 -1.396,1065 9.799,1066 11.782,1067 2.77,1068 19.3,1069 9.424,1070 3.177,1071 -1,1072 17.726,1073 -1.57,1074 10.763,1075 12.962,1076 0.125,1077 21.511,1078 10.339,1079 2.814,1080 10.563,1081 19.552,1082 -2.347,1083 11.954,1084 14.466,1085 3.207,1086 23.88,1087 11.492,1088 2.575,1089 9.093,1090 21.386,1091 4.125,1092 13.009,1093 15.753,1094 0.082,1095 26.158,1096 12.501,1097 2,1098 8.406,1099 23.226,1100 3.541,1101 14.162,1102 17.205,1103 3.668,1104 28.505,1105 13.617,1106 1.827,1107 5.808,1108 25.07,1109 3.039,1110 15.261,1111 18.55,1112 0.054,1113 30.816,1114 14.672,1115 1.657,1116 4.74,1117 26.918,1118 2.432,1119 16.402,1120 19.978,1121 4.142,1122 33.158,1123 15.775,1124 1.204,1125 4.104,1126 28.769,1127 2.327,1128 17.523,1129 21.353,1130 0.035,1131 35.487,1132 16.854,1133 4860,1134 7764,1135 17.394,1136 27.659,1137 38.287,1138 39.018,1139 38.058,1140 37.797,1141 37.874,1142 47.002,1143 5.875,1144 108.552,1145 35.769,1146 5.488,1147 5.689,1148 6.4,1149 5.257,1150 5.177,1151 7.125,1152 2.555,1153 17.504,1154 5.046,1155 5.49,1156 1.531,1157 1.561,1158 1.522,1159 1.512,1160 1.515,1161 1.88,1162 0.235,1163 4.342,1164 1.431,1165 4.037,1166 4.061,1167 4.273,1168 3.99,1169 7.427,1170 3.961,1171 3.854,1172 3.888,1173 3.846,1174 3.802,1175 4.817,1176 3.773,1177 3.71,1178 3.753,1179 3.604,1180 3.516,1181 4.727,1182 3.528,1183 3.342,1184 3.379,1185 3.39,1186 3.261,1187 4.577,1188 3.213,1189 3.111,1190 3.206,1191 3.031,1192 2.941,1193 3.942,1194 2.927,1195 3.105,1196 3.135,1197 2.866,1198 2.911,1199 3.679,1200 2.91,1201 2.854,1202 2.925,1203 2.714,1204 2.735,1205 3.674,1206 2.715,1207 2.828,1208 2.896,1209 2.687,1210 2.647,1211 3.474,1212 2.625,1213 0.18,1214 0.148,1215 0.264,1216 0.165,1217 0.127,1218 4.488,1219 0.165,1220 3.689,1221 0.051,1222 6.598,1223 0.423,1224 4.124,1225 0.122,1226 3.177,1227 4.125,1228 1.277,1229 10.563,1230 3.046,1231 1.961,1232 1.935,1233 2.084,1234 2.045,1235 1.371,1236 2.06,1237 1.711,1238 1.689,1239 1.911,1240 1.951,1241 1.199,1242 1.944,1243 1.707,1244 1.651,1245 1.845,1246 1.819,1247 0.983,1248 1.833,1249 1.205,1250 1.195,1251 1.513,1252 1.4,1253 0.825,1254 1.429,1255 1.153,1256 1.064,1257 1.36,1258 1.376,1259 0.587,1260 1.395,1261 1.073,1262 1.032,1263 1.181,1264 1.202,1265 0.484,1266 1.202,1267 0.93,1268 0.89,1269 1.166,1270 1.154,1271 0.294,1272 1.188,1273 0.886,1274 0.821,1275 1.117,1276 1.062,1277 0.218,1278 1.107,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.727,1285 8.395,1286 6.862,1287 10.057,1295 4.675,1297 5.388,1299 0.265,1300 2.233,1305 25.874,1306 64.332,1307 135.552,1308 166.513,1309 178.122,1310 180.877,1311 180.877,1312 31.607,1313 7.258,1314 42.43,1315 70.67,1316 23,1317 12.433,1318 3.7,1319 2.907,1320 29.888,1321 71,1322 65,1323 0.215,1324 159.414,1325 273.67,1326 380.731,1327 12780,1329 14.941,1330 0.679,1331 0.597,1332 15.295,1333 13.142,1334 10.81,1335 0.432,1336 0.341,1337 7.691,1338 10.028,1339 7.479,1340 6.085,1341 11.218,1342 8.532,1343 9.66,1344 0.276,1345 0.194,1346 10.276,1347 6.788,1348 8.43,1349 0.176,1350 0.116,1351 9.335,1352 5.563,1353 7.288,1354 0.112,1355 0.066,1356 8.189,1357 4.262,1358 6.009,1359 0.072,1360 0.037,1361 6.841,1362 3.128,1363 0.329,1364 71.501,1365 0.24,1366 21.533,1367 0.61,1368 120,1369 329.622,1370 156.242,1371 334.104,1372 458.56,1373 316,1374 143,1375 315.649,1376 178.811,1377 334.075,1378 496.29,1379 316,1380 4.623}
{0 CHEMBL466962,1 1.728,2 6.438,3 1.497,4 2.241,5 63.91,6 7.945,7 0.278,8 3.53,9 3.633,10 3.233,11 3.096,12 4.491,13 3.044,14 4.149,15 4.322,16 3.651,17 3.507,18 5.076,19 3.432,20 4.353,21 4.574,22 3.66,23 3.589,24 5.285,25 3.462,26 4.222,27 4.433,28 3.427,29 3.492,30 5.214,31 3.304,32 3.943,33 4.159,34 3.064,35 3.149,36 4.886,37 2.996,38 3.625,39 3.789,40 2.797,41 2.964,42 4.524,43 2.886,44 3.887,45 4.113,46 2.579,47 2.962,48 4.794,49 2.806,50 3.897,51 4.219,52 2.032,53 2.543,54 4.779,55 2.298,56 0.022,57 0.461,58 6.549,59 3.134,60 2.056,61 3.768,62 0.226,63 0.795,64 15.569,65 5.184,66 12.203,67 6.529,68 0.355,69 0.894,70 21.015,71 6.814,72 24.798,73 8.353,74 0.266,75 0.831,76 24.315,77 7.311,78 27.433,79 8.092,80 0.313,81 0.607,82 18.362,83 4.884,84 21.673,85 5.634,86 0.061,87 0.428,88 6.9,89 3.114,90 3.429,91 4.144,92 0.144,93 0.47,94 11.055,95 4.319,96 19.796,97 5.67,98 0.347,99 0.384,100 14.356,101 4.121,102 36.458,103 5.613,104 2,105 25,106 0.336,107 0.569,108 0.759,109 0.785,110 0.785,111 0.785,112 2.855,113 1.086,114 -2.5,115 -2.52,116 -2.47,119 36.7,121 3,125 4,146 1,152 1,157 1,162 1,172 2,174 1,175 4,183 1,186 1,187 3,195 2,198 1,199 3,207 1,211 2,212 3,237 1,249 1,250 2,275 228,276 11.069,277 11.069,278 11.069,279 11.069,280 11.069,281 10.407,282 17.733,283 6.625,284 11.524,285 8.91,286 8.91,287 8.91,288 8.91,289 8.91,290 7.724,291 23.036,292 3.165,293 9.67,294 3.179,295 1.977,296 1,297 0.867,298 0.867,299 0.867,300 3.533,304 1,305 1,306 226,307 1.581,310 26.736,311 79.605,314 53.459,318 1.063,319 16.673,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 35,331 103,332 4.464,333 3.656,334 6.555,335 4.054,336 3.129,337 4.116,338 1.277,339 10.391,340 2.92,341 3.826,342 3.138,343 6.032,344 3.59,345 2.662,346 3.04,347 0.86,348 8.611,349 2.439,350 3.303,351 2.678,352 5.039,353 2.991,354 2,355 2.432,356 0.8,357 5.716,358 1.973,359 2.874,360 2.252,361 4.399,362 2.614,363 1.719,364 1.919,366 4.324,367 1.518,368 2.567,369 1.654,370 4.036,371 2.372,372 1.436,373 1.568,375 3.402,376 1.331,377 2.146,378 1.257,379 3.481,380 1.952,381 1,382 1.112,384 2.509,385 0.946,386 2.053,387 1.256,388 3.247,389 1.86,390 1,391 1,393 2.136,394 0.851,395 2,396 1.17,397 3.247,398 1.519,399 0.621,400 0.852,402 1.587,403 0.538,404 1.027,405 0.348,406 2.455,407 0.724,408 -0.301,409 -0.359,411 -0.693,412 -0.302,413 0.436,414 -0.36,415 2.321,416 0.255,417 -0.678,418 -0.729,420 -1.552,421 -0.628,422 0.208,423 -0.408,424 2,425 -0.064,426 -1,427 -1,428 -2.347,429 -0.846,430 0.023,431 -0.649,432 1.555,433 -0.149,434 -1,435 -1.113,436 -2.881,437 -0.913,439 -0.968,440 1.538,441 -0.268,442 -1.273,443 -1.564,445 -3.289,446 -1.194,447 -0.154,448 -1.267,449 1.251,450 -0.519,451 -1.473,452 -1.861,454 -4.359,455 -1.46,456 -0.566,457 -1.635,458 1.176,459 -1,460 -1.899,461 -2,462 -0.4,463 -4.789,464 -1.589,465 7.8,466 0.488,467 0.329,468 0.021,469 17,470 1.063,471 6,472 0.375,473 11,474 0.688,475 13.636,476 0.852,477 18,478 0.6,479 8.494,480 0.531,481 2.946,482 0.184,483 4.897,484 0.306,485 0.043,487 0.308,493 0.727,494 1.401,495 0.709,496 1.033,497 0.5,498 0.993,499 1.075,500 1.08,501 0.815,502 0.891,503 0.655,504 0.88,505 1.062,506 0.913,507 0.848,508 0.8,509 1.034,510 0.857,511 0.895,512 1.245,513 1.725,514 1.526,515 1.067,516 1.185,517 0.932,518 1.044,519 1.681,520 1.425,521 1.006,522 1.133,523 0.873,524 1.134,525 0.776,526 1.071,527 0.79,528 1.307,529 1.066,530 1.103,531 0.801,532 1.055,533 1.656,534 1.318,535 1.083,536 0.608,537 0.598,538 0.585,539 1.335,540 0.795,541 2.5,543 1.778,544 0.944,545 0.774,546 0.372,547 0.127,548 0.066,549 0.03,551 2021,552 5358,553 2.174,554 46.7,555 2,556 8,560 4,564 1.551,565 2.087,566 2.755,567 -0.673,569 1,570 1,571 1,573 51.85,574 1.728,575 2.93,576 3.907,577 4.04,578 4.04,579 4.04,580 2.203,581 3.453,582 3.975,583 2.822,584 338.691,585 6.693,586 2851.37,588 1,590 1,591 147.207,592 1.198,593 3.954,594 0.139,596 0.071,597 0.041,598 0.043,599 0.029,600 0.011,601 0.008,602 0.01,604 0.352,605 0.67,606 1,607 0.5,608 63.32,609 -0.02,610 -0.236,611 0.089,612 -0.033,613 0.023,614 -0.007,615 -0.087,616 0.002,617 0.102,618 0.072,619 -0.024,620 0.063,621 -0.061,622 0.083,623 0.123,624 0.156,625 -0.063,626 0.095,627 -0.06,628 -0.137,629 -0.284,630 -0.216,631 -0.017,632 -0.157,633 0.017,634 0.073,635 -0.348,636 -0.232,637 -0.082,638 -0.156,639 -0.104,640 -0.14,641 -0.238,642 -0.311,643 -0.036,644 -0.37,645 -0.088,646 -0.306,647 -0.164,648 -0.292,649 -0.155,650 -0.364,651 0.161,652 0.025,653 0.186,654 0.139,655 0.067,656 0.146,657 1.391,658 4.709,659 0.938,660 8.531,661 1.008,662 1.128,663 1.268,664 1.609,665 0.671,666 2.944,667 3.258,668 3.555,669 3.829,670 4.025,671 4.06,672 4.111,673 4.159,674 4.043,675 3.892,676 4.035,677 0.627,678 238.34,679 2.944,680 4.466,681 5.323,682 6.201,683 7.077,684 7.964,685 8.848,686 9.739,687 10.627,688 11.519,689 6.7,695 1,699 1,705 1,708 1,709 3,711 5,716 1,726 1,731 30,733 6,735 18,737 32,738 11,739 3,742 1,746 3,747 4,755 3,758 3,761 4,762 7,766 1,771 1,775 1,778 1,781 14,782 4,784 5,785 1,790 2,794 0.667,795 2,811 1,812 2,815 1,839 1,840 2,842 1,848 16,854 7,856 1,859 1,863 1,870 6.7,873 1,874 1,877 7.667,878 5.4,879 3.5,880 2.017,881 1.099,882 1.174,883 0.989,884 2.84,885 7.423,886 3.114,887 3.618,888 4.157,889 4.683,890 4.978,891 5.249,892 5.334,893 5.443,894 5.343,895 5.134,896 1,897 23,898 5.971,900 2.582,901 7.656,902 11.749,904 10.038,905 2.156,906 34.5,907 0.005,910 164.795,911 62.027,912 19.91,914 36.145,916 31.278,917 30.749,918 200.94,919 19.91,921 21,923 58.064,924 6.382,925 1.358,926 196.073,928 164.795,929 50.659,930 36.145,931 31.278,933 164.795,934 25.145,935 11,937 24.257,938 9.616,939 16.786,940 31.278,941 164.795,942 56.055,943 62.027,946 164.795,947 62.027,948 3.124,950 52.93,951 164.795,952 56.055,953 62.027,955 0.577,956 0.343,957 0.191,958 0.103,959 14,960 5,961 0.031,962 1,963 1,964 1.133,965 2.913,966 112.648,967 0.133,968 15,969 60,970 1,974 10.513,975 4.321,976 1.984,978 56.055,980 4.593,983 1.56,984 2.916,987 282.877,988 21.5,993 11.709,997 0.276,999 30.236,1000 33.827,1001 0.352,1002 0.597,1003 0.796,1004 0.823,1005 0.823,1006 0.823,1007 4.36,1008 0.621,1009 5.293,1010 2.136,1011 3.932,1012 4.297,1013 1.903,1014 6.103,1015 3.781,1016 5.513,1017 -0.301,1018 6.845,1019 1.587,1020 3.434,1021 4.086,1022 0.325,1023 6.986,1024 3.242,1025 6.804,1026 -0.678,1027 8.502,1028 -0.693,1029 5.509,1030 6.373,1031 2.065,1032 10.112,1033 5.22,1034 8.134,1035 -1,1036 10.222,1037 -1.552,1038 5.889,1039 7.088,1040 0.268,1041 11.86,1042 5.535,1043 9.506,1044 -1,1045 11.983,1046 -2.347,1047 7.403,1048 8.828,1049 2.377,1050 14.471,1051 6.974,1052 10.905,1053 -1.273,1054 13.772,1055 -2.881,1056 8.188,1057 9.943,1058 0.188,1059 16.554,1060 7.685,1061 12.325,1062 -1.473,1063 15.58,1064 -3.289,1065 9.471,1066 11.48,1067 2.77,1068 18.987,1069 8.9,1070 3.129,1071 -1.899,1072 17.401,1073 -4.359,1074 10.444,1075 12.766,1076 0.125,1077 21.208,1078 9.797,1079 2.662,1080 10.391,1081 19.232,1082 -4.789,1083 11.631,1084 14.226,1085 3.207,1086 23.575,1087 10.92,1088 2,1089 8.611,1090 21.071,1091 4.116,1092 12.69,1093 15.586,1094 0.082,1095 25.857,1096 11.905,1097 1.719,1098 5.716,1099 22.916,1100 3.04,1101 13.84,1102 17.016,1103 3.668,1104 28.201,1105 12.991,1106 1.436,1107 4.324,1108 24.765,1109 2.432,1110 14.938,1111 18.407,1112 0.054,1113 30.511,1114 14.016,1115 1,1116 3.402,1117 26.618,1118 1.919,1119 16.075,1120 19.827,1121 4.142,1122 32.847,1123 15.089,1124 1,1125 2.509,1126 28.473,1127 1.568,1128 17.192,1129 21.231,1130 0.035,1131 35.17,1132 16.135,1133 1961,1134 3276,1135 12.425,1136 20.137,1137 27.355,1138 28.183,1139 27.628,1140 27.06,1141 27.133,1142 32.077,1143 5.875,1144 77.35,1145 25.029,1146 5.464,1147 5.523,1148 6.357,1149 5.178,1150 5.129,1151 6.783,1152 2.555,1153 17.181,1154 4.92,1155 4.473,1156 1.52,1157 1.566,1158 1.535,1159 1.503,1160 1.507,1161 1.782,1162 0.326,1163 4.297,1164 1.39,1165 3.99,1166 4.015,1167 4.269,1168 3.945,1169 7.427,1170 3.899,1171 3.733,1172 3.786,1173 3.614,1174 3.527,1175 4.799,1176 3.539,1177 3.364,1178 3.407,1179 3.429,1180 3.276,1181 4.578,1182 3.219,1183 3.111,1184 3.206,1185 3.019,1186 2.941,1187 3.941,1188 2.91,1189 3.098,1190 3.133,1191 2.866,1192 2.895,1193 3.647,1194 2.904,1195 2.801,1196 2.873,1197 2.656,1198 2.504,1199 3.474,1200 2.527,1201 2.413,1202 2.486,1203 2.488,1204 2.187,1205 3.261,1206 2.146,1207 2.094,1208 2.271,1209 2.061,1210 1.795,1211 2.991,1212 1.716,1213 0.248,1214 0.203,1215 0.364,1216 0.225,1217 0.174,1218 4.464,1219 0.229,1220 3.656,1221 0.071,1222 6.555,1223 0.577,1224 4.054,1225 0.162,1226 3.129,1227 4.116,1228 1.277,1229 10.391,1230 2.92,1231 1.81,1232 1.781,1233 1.975,1234 1.959,1235 1.299,1236 1.96,1237 1.708,1238 1.653,1239 1.91,1240 1.933,1241 1.199,1242 1.941,1243 1.206,1244 1.195,1245 1.513,1246 1.4,1247 0.825,1248 1.429,1249 1.153,1250 1.064,1251 1.36,1252 1.376,1253 0.587,1254 1.395,1255 1.053,1256 1.007,1257 1.148,1258 1.209,1259 0.493,1260 1.208,1261 0.911,1262 0.863,1263 1.11,1264 1.152,1265 0.284,1266 1.188,1267 0.525,1268 0.441,1269 0.785,1270 0.812,1271 0.007,1272 0.862,1273 0.172,1274 0.002,1275 0.741,1276 0.563,1278 0.65,1279 3.611,1281 4.92,1282 2.398,1283 6.438,1284 4.727,1285 8.046,1286 6.862,1287 9.698,1295 5.912,1297 5.313,1300 2.222,1305 18.82,1306 51.85,1307 87.904,1308 117.207,1309 121.207,1310 121.207,1311 121.207,1312 20.96,1313 6.324,1314 42.43,1315 70.67,1316 17,1317 12.047,1318 2.807,1319 2.17,1320 21.774,1321 39,1322 34,1323 0.292,1324 118.036,1325 201.05,1326 279.767,1327 3829,1329 10.958,1330 0.685,1331 0.618,1332 11.311,1333 9.885,1334 7.843,1335 0.436,1336 0.362,1337 5.675,1338 7.061,1339 5.523,1340 4.467,1341 8.252,1342 6.517,1343 6.962,1344 0.278,1345 0.205,1346 7.577,1347 5.126,1348 6.068,1349 0.178,1350 0.125,1351 6.973,1352 4.238,1353 5.137,1354 0.114,1355 0.073,1356 6.06,1357 3.278,1358 4.057,1359 0.074,1360 0.042,1361 4.868,1362 2.325,1363 0.435,1364 53.703,1365 0.284,1366 15.919,1367 0.869,1368 86,1369 263.622,1370 122.242,1371 264.504,1372 358.55,1373 250,1374 102,1375 239.649,1376 137.811,1377 253.798,1378 379.78,1379 240,1380 5.094}
{0 CHEMBL467394,1 1.664,2 9.444,3 3.626,4 13.146,5 106.131,6 8.096,7 0.516,8 3.981,9 4.089,10 3.678,11 3.581,12 5.048,13 3.544,14 4.547,15 4.705,16 4.129,17 4.024,18 5.548,19 3.976,20 4.79,21 4.958,22 4.168,23 4.184,24 5.79,25 4.087,26 4.933,27 5.172,28 4.134,29 4.185,30 5.897,31 4.05,32 4.724,33 4.919,34 4.033,35 4.019,36 5.795,37 3.913,38 4.538,39 4.719,40 3.873,41 3.917,42 5.481,43 3.808,44 4.52,45 4.693,46 3.858,47 3.865,48 5.569,49 3.794,50 4.64,51 4.848,52 3.759,53 3.863,54 5.674,55 3.746,56 0.049,57 0.728,58 9.166,59 4.472,60 6.889,61 5.382,62 0.197,63 1.238,64 19.902,65 7.72,66 17.686,67 9.605,68 0.295,69 1.495,70 25.805,71 10.541,72 30.057,73 12.719,74 0.336,75 1.67,76 39.577,77 13.871,78 41.812,79 17.129,80 0.528,81 1.422,82 29.556,83 9.336,84 55.139,85 10.59,86 0.21,87 1.207,88 25.966,89 9.232,90 13.94,91 10.542,92 0.313,93 1.112,94 19.946,95 7.603,96 27.173,97 9.176,98 0.438,99 1.218,100 25.737,101 8.998,102 47.115,103 11.289,104 10,105 47,106 0.282,107 0.668,108 0.817,109 0.848,110 0.848,111 0.848,112 3.341,113 0.956,114 -4.13,115 -4.08,116 -3.86,119 42.6,120 2,121 2,123 1,125 2,142 3,143 2,144 2,145 1,146 1,151 1,152 1,157 1,162 1,168 1,172 8,174 1,175 7,180 1,183 10,186 1,187 8,192 1,195 4,198 1,199 13,204 2,207 2,211 2,212 7,217 1,220 4,223 1,224 4,227 1,232 3,236 1,237 2,240 1,245 4,249 2,250 5,253 1,255 1,258 8,263 4,271 8,275 1061,276 18.187,277 18.187,278 18.187,279 18.187,280 18.187,281 16.268,282 20.393,283 10.378,284 18.666,285 15.351,286 15.351,287 15.351,288 15.351,289 15.351,290 12.3,291 28.335,292 4.962,293 16.183,294 3.891,295 1.61,296 0.729,297 0.543,298 0.543,299 0.543,300 4.05,303 1,304 1,305 1,306 572,307 2.739,310 109.974,311 185.952,314 93.731,315 103.591,318 1.498,319 23.488,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 255,332 4.567,333 3.735,334 6.881,335 4.329,336 3.349,337 4.177,338 1.277,339 11.552,340 3.302,341 4.408,342 3.406,343 6.712,344 4.1,345 3.155,346 4.028,347 0.86,348 10.943,349 2.995,350 4.127,351 3.08,352 6.32,353 3.82,354 2.865,355 3.575,356 0.8,357 9.578,358 2.718,359 3.992,360 2.887,361 6.118,362 3.676,363 2.709,364 3.194,366 8.943,367 2.607,368 3.607,369 2.751,370 5.681,371 3.244,372 2.3,373 2.837,375 7.461,376 2.159,377 3.285,378 2.46,379 5.117,380 2.93,381 1.934,382 2.565,384 5.848,385 1.906,386 3.206,387 1.97,388 4.6,389 2.754,390 1.801,391 2.385,393 4.68,394 1.709,395 2.828,396 1.659,397 4.472,398 2.389,399 1.459,400 1.948,402 4.284,403 1.349,404 2.515,405 1.579,406 3.975,407 2.292,408 1.374,409 1.516,411 3.278,412 1.245,413 2.356,414 1.246,415 3.794,416 1.888,417 0.922,418 1.291,420 2.396,421 0.886,422 2.299,423 0.986,424 3.396,425 1.72,426 0.831,427 1.166,428 2.137,429 0.714,430 2.118,431 0.825,432 3.279,433 1.607,434 0.676,435 0.927,436 1.754,437 0.623,438 1.982,439 0.618,440 3.221,441 1.547,442 0.618,443 0.862,445 1.372,446 0.572,447 1.046,448 0.549,449 3,450 0.768,451 -0.204,452 -0.236,454 -0.597,455 -0.195,456 0.965,457 -0.003,458 2.794,459 0.615,460 -0.348,461 -0.415,463 -0.989,464 -0.324,465 13.1,466 0.485,467 0.844,468 0.031,469 34.5,470 1.278,471 16.5,472 0.611,473 18,474 0.667,475 25.726,476 0.953,477 28.3,478 0.602,479 22.938,480 0.85,481 6.183,482 0.229,483 6.817,484 0.252,485 0.102,486 0.038,487 0.336,493 0.723,494 1.147,495 0.702,496 0.93,497 0.573,498 0.88,499 0.921,500 1.015,501 0.721,502 0.847,503 0.63,504 0.772,505 1.039,506 1.124,507 0.989,508 1.083,509 1.057,510 1.133,511 0.744,512 1.049,513 1.065,514 1.091,515 0.712,516 0.904,517 1.498,518 0.967,519 1.353,520 1.016,521 1.91,522 1.004,523 0.894,524 1.148,525 1.497,526 1.419,527 0.615,528 1.135,529 1.25,530 0.984,531 0.988,532 0.964,533 1.214,534 1.011,535 1.086,536 1.01,537 1.095,538 1.122,539 1.251,540 1.146,541 6.5,542 0.131,543 3.556,544 2.16,545 1.842,546 1.018,547 0.6,548 0.407,549 0.347,550 0.227,551 8825,552 22422,553 2.175,554 42.6,555 6,556 7,557 1,558 1,559 1,560 4,564 1.704,565 2.038,566 3.253,567 -0.309,569 1,573 78.189,574 1.664,575 3.945,576 4.826,577 5.012,578 5.012,579 5.012,580 2.696,581 4.236,582 4.729,583 3.397,584 1192.18,585 8.224,586 14688.9,588 1,590 1,591 261.066,592 1.548,593 4.683,594 0.21,595 0.009,596 0.076,597 0.048,598 0.042,599 0.028,600 0.017,601 0.012,602 0.012,603 0.011,604 0.464,605 0.5,606 0.88,607 0.528,608 131.403,609 0.025,610 -0.034,611 0.079,612 0.017,613 -0.009,614 0.028,615 -0.012,616 0.049,617 0.175,618 0.123,619 0.03,620 0.164,621 -0.073,622 -0.112,623 -0.078,624 -0.106,625 -0.122,626 -0.183,627 0.09,628 -0.092,629 0.119,630 0.025,631 0.157,632 0.142,633 -0.217,634 0.128,635 -0.191,636 0.033,637 -0.322,638 -0.082,639 -0.022,640 -0.071,641 -0.239,642 -0.236,643 0.021,644 -0.14,645 -0.052,646 0.027,647 -0.102,648 -0.034,649 -0.04,650 -0.089,651 0.056,652 -0.061,653 -0.126,654 -0.15,655 0.002,656 -0.174,657 1.453,658 5.569,659 0.889,660 20.996,661 1.004,662 1.12,663 2.903,664 8.428,665 0.695,666 3.466,667 3.871,668 4.174,669 4.522,670 4.754,671 4.949,672 5.118,673 5.308,674 5.447,675 5.517,676 5.82,677 0.658,678 380.51,679 3.466,680 5.056,681 5.938,682 6.862,683 7.758,684 8.685,685 9.588,686 10.516,687 11.423,688 12.351,689 8.5,697 2,699 2,704 5,705 2,706 1,708 1,709 7,711 16,716 1,726 1,729 1,731 47,733 17,734 1,735 31,737 51,738 20,739 12,740 3,741 3,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 2,761 13,762 7,766 1,771 1,775 1,777 1,778 1,781 20,782 5,783 1,784 7,785 1,790 4,794 0.6,795 2,803 1,811 2,812 3,815 1,816 1,840 3,842 1,844 2,848 27,854 4,856 1,859 1,860 1,863 1,870 4.3,873 1,875 1,877 13.25,878 9.267,879 5.583,880 2.861,881 2.905,882 1.356,883 1.017,884 3.955,885 11.061,886 3.714,887 4.344,888 4.931,889 5.549,890 5.959,891 6.374,892 6.777,893 7.174,894 7.53,895 7.811,896 1,897 45,898 10.019,900 4.436,901 7.627,902 19.452,904 16.919,905 2.127,906 57.417,909 1,910 223.651,911 131.34,912 53.236,914 36.145,916 31.278,917 100.062,918 259.796,919 53.236,920 17.65,921 11.767,922 37.476,923 75.498,924 57.463,925 13.13,926 231.386,928 223.651,929 153.298,930 36.145,931 31.278,933 223.651,934 36.145,937 61.51,938 58.339,939 33.449,940 31.278,941 223.651,942 89.381,943 131.34,946 223.651,947 67.166,948 67.298,949 16.663,950 69.593,951 223.651,952 89.381,953 131.34,955 0.602,956 0.349,957 0.198,958 0.103,959 27,960 11,961 0.039,962 2,963 2,964 1.167,965 3.832,966 254.038,967 0.167,968 24,969 126.382,970 1,974 17.086,975 6.249,976 3.01,978 72.718,979 9.806,980 8.897,981 2.854,983 1.509,984 6.555,986 16.663,987 444.371,988 40,993 12.569,997 0.214,999 47.207,1000 52.654,1001 0.299,1002 0.71,1003 0.869,1004 0.902,1005 0.902,1006 0.902,1007 5.004,1008 1.459,1009 5.979,1010 4.68,1011 4.554,1012 5.03,1013 1.903,1014 6.874,1015 4.46,1016 6.238,1017 1.374,1018 7.59,1019 4.284,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.274,1025 7.577,1026 0.922,1027 9.305,1028 3.278,1029 6.275,1030 7.22,1031 2.065,1032 11.093,1033 6.112,1034 8.947,1035 0.831,1036 11.079,1037 2.396,1038 6.878,1039 7.916,1040 0.268,1041 13.015,1042 6.71,1043 10.347,1044 0.676,1045 12.889,1046 2.137,1047 8.3,1048 9.692,1049 2.377,1050 15.634,1051 8.084,1052 11.767,1053 0.618,1054 14.722,1055 1.754,1056 9.231,1057 10.752,1058 0.188,1059 17.843,1060 9.003,1061 13.202,1062 -0.204,1063 16.571,1064 1.372,1065 10.485,1066 12.318,1067 2.77,1068 20.324,1069 10.224,1070 3.349,1071 -0.348,1072 18.432,1073 -0.597,1074 11.554,1075 13.554,1076 0.125,1077 22.65,1078 11.279,1079 3.155,1080 11.552,1081 20.301,1082 -0.989,1083 12.752,1084 15.031,1085 3.207,1086 25.086,1087 12.451,1088 2.865,1089 10.943,1090 22.177,1091 4.177,1092 13.881,1093 16.353,1094 0.082,1095 27.464,1096 13.566,1097 2.709,1098 9.578,1099 24.058,1100 4.028,1101 15.061,1102 17.791,1103 3.668,1104 29.887,1105 14.727,1106 2.3,1107 8.943,1108 25.944,1109 3.575,1110 16.218,1111 19.157,1112 0.054,1113 32.289,1114 15.87,1115 1.934,1116 7.461,1117 27.833,1118 3.194,1119 17.397,1120 20.579,1121 4.142,1122 34.71,1123 17.033,1124 1.801,1125 5.848,1126 29.726,1127 2.837,1128 18.568,1129 21.967,1130 0.035,1131 37.125,1132 18.191,1133 8140,1134 13135,1135 20.978,1136 32.671,1137 49.028,1138 49.467,1139 48.293,1140 47.847,1141 47.985,1142 60.941,1143 5.875,1144 148.453,1145 45.57,1146 5.517,1147 5.735,1148 6.478,1149 5.471,1150 5.349,1151 7.177,1152 2.555,1153 18.895,1154 5.302,1155 11.478,1156 1.582,1157 1.596,1158 1.558,1159 1.543,1160 1.548,1161 1.966,1162 0.19,1163 4.789,1164 1.47,1165 4.068,1166 4.096,1167 4.279,1168 3.999,1169 7.427,1170 3.98,1171 3.958,1172 3.989,1173 3.962,1174 3.889,1175 5.047,1176 3.876,1177 3.783,1178 3.839,1179 3.721,1180 3.597,1181 4.864,1182 3.616,1183 3.556,1184 3.6,1185 3.603,1186 3.487,1187 4.713,1188 3.444,1189 3.397,1190 3.457,1191 3.276,1192 3.228,1193 4.268,1194 3.223,1195 3.181,1196 3.214,1197 3.093,1198 2.956,1199 4.215,1200 2.978,1201 2.936,1202 3.009,1203 2.823,1204 2.768,1205 3.803,1206 2.766,1207 2.874,1208 2.999,1209 2.754,1210 2.649,1211 3.467,1212 2.606,1213 0.147,1214 0.12,1215 0.222,1216 0.14,1217 0.108,1218 4.567,1219 0.135,1220 3.735,1221 0.041,1222 6.881,1223 0.373,1224 4.329,1225 0.107,1226 3.349,1227 4.177,1228 1.277,1229 11.552,1230 3.302,1231 1.94,1232 1.92,1233 2.048,1234 2.05,1235 1.375,1236 2.042,1237 1.883,1238 1.852,1239 2.021,1240 2.001,1241 1.204,1242 2.02,1243 1.553,1244 1.512,1245 1.735,1246 1.729,1247 0.981,1248 1.734,1249 1.342,1250 1.323,1251 1.526,1252 1.652,1253 0.693,1254 1.606,1255 1.314,1256 1.254,1257 1.506,1258 1.498,1259 0.604,1260 1.519,1261 1.227,1262 1.136,1263 1.417,1264 1.422,1265 0.582,1266 1.43,1267 1.18,1268 1.121,1269 1.391,1270 1.387,1271 0.469,1272 1.39,1273 0.97,1274 0.927,1275 1.36,1276 1.239,1277 0.388,1278 1.308,1279 4.143,1281 5.525,1282 3.045,1283 7.093,1284 5.283,1285 8.749,1286 7.31,1287 10.455,1289 4.266,1295 2.746,1297 5.849,1300 2.172,1301 -0.021,1305 30.917,1306 78.189,1307 185.398,1308 226.801,1309 235.556,1310 235.556,1311 235.556,1312 40.586,1313 8.157,1314 71.11,1315 99.35,1316 28,1317 12.858,1318 4.17,1319 3.322,1320 35.64,1321 93,1322 86,1323 0.187,1324 188.532,1325 319.03,1326 451.777,1327 40035,1329 18.596,1330 0.689,1331 0.596,1332 18.949,1333 16.098,1334 13,1335 0.419,1336 0.319,1337 9.017,1338 12.092,1339 8.657,1340 7.143,1341 13.408,1342 9.882,1343 12.842,1344 0.273,1345 0.189,1346 13.457,1347 8.86,1348 10.629,1349 0.166,1350 0.098,1351 11.519,1352 6.271,1353 9.756,1354 0.107,1355 0.054,1356 10.664,1357 4.888,1358 7.454,1359 0.065,1360 0.031,1361 8.423,1362 3.598,1363 0.287,1364 85.513,1365 0.218,1366 25.401,1367 0.536,1368 156,1369 425.6,1370 196.014,1371 431.445,1372 601.99,1373 406,1374 189,1375 440.989,1376 229.388,1377 461.875,1378 684.71,1379 434,1380 6.726}
{0 CHEMBL467395,1 1.69,2 10.107,3 2.779,4 7.723,5 107.863,6 8.072,7 0.5,8 4.025,9 4.139,10 3.713,11 3.59,12 5.092,13 3.563,14 4.587,15 4.753,16 4.181,17 4.015,18 5.639,19 3.98,20 4.817,21 5.001,22 4.212,23 4.161,24 5.848,25 4.089,26 4.92,27 5.149,28 4.157,29 4.185,30 5.915,31 4.062,32 4.74,33 4.934,34 4.07,35 4.054,36 5.809,37 3.949,38 4.599,39 4.775,40 3.931,41 3.977,42 5.562,43 3.867,44 4.625,45 4.826,46 3.923,47 3.895,48 5.653,49 3.832,50 4.673,51 4.88,52 3.834,53 3.882,54 5.728,55 3.789,56 0.046,57 0.786,58 9.708,59 4.458,60 6.322,61 5.437,62 0.274,63 1.322,64 21.013,65 7.666,66 22.331,67 9.801,68 0.437,69 1.592,70 27.542,71 9.254,72 34.667,73 11.498,74 0.371,75 1.659,76 37.186,77 13.01,78 40.809,79 16.21,80 0.573,81 1.435,82 29.899,83 9.686,84 53.868,85 11.214,86 0.219,87 1.281,88 26.731,89 9.756,90 15.596,91 11.44,92 0.358,93 1.247,94 23.344,95 7.857,96 30.947,97 10.057,98 0.51,99 1.249,100 25.224,101 8.493,102 46.998,103 10.815,104 17,105 49,106 0.284,107 0.678,108 0.83,109 0.846,110 0.846,111 0.846,112 3.376,113 0.947,114 -3.78,115 -3.74,116 -3.56,119 40.8,120 3,121 1,125 2,130 1,142 3,143 1,144 2,146 2,151 1,152 1,158 1,161 1,162 1,172 3,174 1,175 7,178 2,180 4,183 5,186 1,187 7,192 2,195 2,198 1,199 10,202 1,204 2,207 2,211 3,212 3,215 1,217 1,220 6,223 1,224 3,227 1,232 3,236 1,237 4,240 1,242 1,245 2,249 1,250 3,253 2,255 3,258 3,263 5,268 1,271 5,275 1184,276 18.635,277 18.635,278 18.635,279 18.635,280 18.635,281 16.691,282 26.447,283 10.515,284 19.255,285 15.834,286 15.834,287 15.834,288 15.834,289 15.834,290 12.71,291 41.001,292 5.041,293 16.901,294 3.924,295 1.579,296 0.674,297 0.577,298 0.577,299 0.577,300 4.082,304 1,305 1,306 631,307 2.828,310 115.747,311 196.056,314 98.567,315 109.287,318 1.551,319 25.331,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 283,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.18,338 1.058,339 11.552,340 3.216,341 4.417,342 3.407,343 6.713,344 4.099,345 3.157,346 4.051,347 0.86,348 10.944,349 2.987,350 4.177,351 3.134,352 6.321,353 3.834,354 2.892,355 3.696,356 0.8,357 9.589,358 2.709,359 4.02,360 2.933,361 6.149,362 3.694,363 2.748,364 3.205,366 9.067,367 2.594,368 3.646,369 2.811,370 5.686,371 3.274,372 2.335,373 2.921,375 7.488,376 2.177,377 3.492,378 2.469,379 5.118,380 3.092,381 2.146,382 2.767,384 6.052,385 2.023,386 3.244,387 2.354,388 5.047,389 2.901,390 1.928,391 2.396,393 5.844,394 1.856,395 2.829,396 1.839,397 4.584,398 2.422,399 1.497,400 1.949,402 4.382,403 1.376,404 2.727,405 1.586,406 4.176,407 2.333,408 1.412,409 1.807,411 3.664,412 1.288,413 2.465,414 1.319,415 3.944,416 2.17,417 1.207,418 1.459,420 3.127,421 1.154,422 2.31,423 1.248,424 3.793,425 1.725,426 0.849,427 1.176,428 2.39,429 0.723,430 2.185,431 0.925,432 3.377,433 1.648,434 0.735,435 1.038,436 1.862,437 0.663,438 1.988,439 0.695,440 3.268,441 1.568,442 0.657,443 0.868,445 1.65,446 0.596,447 1.049,448 0.457,449 3.227,450 0.764,451 -0.197,452 -0.228,454 -0.573,455 -0.188,456 0.976,457 0.009,458 2.794,459 0.619,460 -0.333,461 -0.395,463 -0.956,464 -0.309,465 13.5,466 0.482,467 0.95,468 0.034,469 36,470 1.286,471 16.5,472 0.589,473 19.5,474 0.696,475 26.761,476 0.956,477 29.7,478 0.606,479 24.928,480 0.89,481 6.592,482 0.235,483 6.802,484 0.243,485 0.136,486 0.037,487 0.363,493 0.84,494 1.33,495 0.716,496 0.972,497 0.647,498 0.896,499 0.842,500 1.133,501 0.677,502 0.874,503 0.545,504 0.77,505 1.258,506 1.035,507 1.019,508 0.95,509 1.055,510 0.999,511 0.776,512 1.062,513 1.062,514 1.114,515 0.77,516 0.959,517 1.343,518 0.861,519 1.311,520 1.013,521 1.87,522 0.995,523 0.761,524 1.301,525 1.461,526 1.519,527 0.602,528 1.237,529 1.193,530 0.994,531 0.92,532 0.935,533 1.167,534 0.945,535 1.224,536 0.974,537 1.025,538 0.99,539 1.272,540 1.073,541 7.5,542 0.171,543 3.778,544 2.479,545 2.002,546 1.098,547 0.635,548 0.507,549 0.424,550 0.242,551 9692,552 24757,553 2.146,554 42.9,556 7,557 1,559 2,560 5,561 6,564 1.713,565 1.988,566 3.327,567 0.282,568 1,569 1,573 82.834,574 1.69,575 4.036,576 4.941,577 5.038,578 5.038,579 5.038,580 2.74,581 4.379,582 4.78,583 3.463,584 1308.86,585 8.327,586 16587.4,588 1,590 1,591 275.121,592 1.617,593 4.726,594 0.234,595 0.011,596 0.077,597 0.053,598 0.044,599 0.028,600 0.017,601 0.014,602 0.013,603 0.011,604 0.502,605 0.5,606 0.88,607 0.573,608 138.294,609 -0.064,610 -0.177,611 0.073,612 -0.009,613 -0.072,614 0.021,615 0.108,616 -0.044,617 0.233,618 0.097,619 0.136,620 0.165,621 -0.186,622 0.053,623 -0.086,624 -0.003,625 -0.164,626 -0.087,627 0.077,628 -0.091,629 0.075,630 -0.013,631 0.136,632 0.071,633 -0.134,634 0.213,635 -0.156,636 0.066,637 -0.295,638 -0.051,639 0.043,640 -0.232,641 -0.243,642 -0.32,643 0.024,644 -0.223,645 -0.065,646 0.021,647 -0.021,648 -0.017,649 -0.043,650 -0.013,651 0.006,652 -0.007,653 -0.111,654 -0.067,655 -0.005,656 -0.13,657 1.704,658 5.489,659 0.857,660 22.918,661 1.006,662 1.126,663 2.55,664 6.503,665 0.687,666 3.497,667 3.912,668 4.205,669 4.554,670 4.796,671 4.977,672 5.147,673 5.352,674 5.505,675 5.576,676 6.042,677 0.652,678 395.53,679 3.497,680 5.094,681 5.974,682 6.901,683 7.797,684 8.725,685 9.628,686 10.556,687 11.463,688 12.391,689 10.2,696 1,697 2,699 2,704 4,705 2,706 1,708 1,709 8,711 16,718 1,726 1,729 1,731 49,733 17,734 1,735 32,737 53,738 20,739 12,740 3,741 3,742 1,746 5,747 7,752 3,755 1,756 1,758 1,761 13,762 7,763 1,766 1,771 1,775 1,778 1,781 21,782 6,783 2,784 8,785 1,787 1,790 5,794 0.6,795 2,811 2,812 3,815 1,816 1,840 3,842 1,844 3,848 28,854 3,855 1,856 1,859 1,860 1,863 1,870 4.1,873 1,875 1,877 14.083,878 9.933,879 5.75,880 2.949,881 2.951,882 1.357,883 1.015,884 4.16,885 11.217,886 3.738,887 4.382,888 4.963,889 5.583,890 6.01,891 6.408,892 6.817,893 7.232,894 7.609,895 7.884,896 0.857,897 47,898 10.383,900 4.582,901 7.646,902 20.043,904 17.222,905 2.146,906 60.083,909 1,910 223.651,911 130.053,912 71.492,914 36.145,916 31.278,917 98.775,918 259.796,919 71.492,920 26.476,921 27.243,922 37.476,923 65.749,924 48.11,925 13.13,926 243.158,928 223.651,929 170.267,930 36.145,931 31.278,933 153.024,934 106.771,937 81.971,938 54.725,939 33.571,940 31.278,941 223.651,942 107.636,943 130.053,946 223.651,947 66.101,948 67.076,949 34.796,950 69.716,951 223.651,952 107.636,953 130.053,955 0.607,956 0.348,957 0.195,958 0.106,959 28,960 12,961 0.038,962 2,963 2,964 1.167,965 3.89,966 266.445,967 0.167,968 24,969 132.606,970 1,974 17.983,975 6.478,976 3.21,978 90.851,979 7.971,980 9.358,981 3.125,983 1.445,984 6.974,986 34.796,987 461.34,988 41,993 12.489,997 -0.038,999 49.309,1000 55.152,1001 0.301,1002 0.719,1003 0.88,1004 0.897,1005 0.897,1006 0.897,1007 5.037,1008 1.497,1009 6.023,1010 5.844,1011 4.595,1012 5.069,1013 1.737,1014 6.919,1015 4.474,1016 6.28,1017 1.412,1018 7.637,1019 4.382,1020 4.443,1021 5.017,1022 0.325,1023 8.072,1024 4.298,1025 7.624,1026 1.207,1027 9.35,1028 3.664,1029 6.319,1030 7.272,1031 1.622,1032 11.123,1033 6.095,1034 8.998,1035 0.849,1036 11.12,1037 3.127,1038 6.929,1039 7.993,1040 0.268,1041 13.034,1042 6.673,1043 10.399,1044 0.735,1045 12.925,1046 2.39,1047 8.341,1048 9.753,1049 1.587,1050 15.653,1051 8.024,1052 11.82,1053 0.657,1054 14.754,1055 1.862,1056 9.27,1057 10.826,1058 0.188,1059 17.856,1060 8.915,1061 13.255,1062 -0.197,1063 16.598,1064 1.65,1065 10.52,1066 12.386,1067 1.592,1068 20.336,1069 10.114,1070 3.349,1071 -0.333,1072 18.455,1073 -0.573,1074 11.587,1075 13.628,1076 0.125,1077 22.66,1078 11.141,1079 3.157,1080 11.552,1081 20.321,1082 -0.956,1083 12.781,1084 15.102,1085 1.624,1086 25.095,1087 12.29,1088 2.892,1089 10.944,1090 22.194,1091 4.18,1092 13.908,1093 16.427,1094 0.082,1095 27.471,1096 13.376,1097 2.748,1098 9.589,1099 24.073,1100 4.051,1101 15.086,1102 17.864,1103 1.676,1104 29.894,1105 14.512,1106 2.335,1107 9.067,1108 25.957,1109 3.696,1110 16.241,1111 19.231,1112 0.054,1113 32.295,1114 15.626,1115 2.146,1116 7.488,1117 27.845,1118 3.205,1119 17.418,1120 20.653,1121 1.742,1122 34.716,1123 16.762,1124 1.928,1125 6.052,1126 29.736,1127 2.921,1128 18.588,1129 22.042,1130 0.035,1131 37.129,1132 17.891,1133 8997,1134 14548,1135 21.383,1136 33.676,1137 50.823,1138 51.26,1139 50.818,1140 49.681,1141 49.824,1142 63.025,1143 5.437,1144 155.221,1145 46.726,1146 5.517,1147 5.726,1148 6.409,1149 5.451,1150 5.349,1151 7.18,1152 2.117,1153 18.895,1154 5.216,1155 13.779,1156 1.588,1157 1.602,1158 1.588,1159 1.553,1160 1.557,1161 1.97,1162 0.17,1163 4.851,1164 1.46,1165 4.067,1166 4.1,1167 4.277,1168 3.981,1169 7.429,1170 3.969,1171 3.952,1172 3.989,1173 3.972,1174 3.869,1175 5.011,1176 3.852,1177 3.808,1178 3.858,1179 3.748,1180 3.621,1181 4.848,1182 3.647,1183 3.553,1184 3.602,1185 3.586,1186 3.466,1187 4.715,1188 3.426,1189 3.41,1190 3.466,1191 3.292,1192 3.249,1193 4.287,1194 3.242,1195 3.134,1196 3.166,1197 3.077,1198 2.899,1199 4.256,1200 2.899,1201 3.054,1202 3.148,1203 2.859,1204 2.838,1205 3.804,1206 2.866,1207 2.924,1208 3.009,1209 2.789,1210 2.741,1211 3.719,1212 2.74,1213 0.143,1214 0.116,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.726,1221 0.033,1222 6.881,1223 0.361,1224 4.307,1225 0.1,1226 3.349,1227 4.18,1228 1.058,1229 11.552,1230 3.216,1231 1.933,1232 1.912,1233 2.015,1234 2.049,1235 1.262,1236 2.039,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.197,1242 1.99,1243 1.539,1244 1.49,1245 1.756,1246 1.789,1247 0.964,1248 1.78,1249 1.521,1250 1.447,1251 1.722,1252 1.713,1253 0.796,1254 1.72,1255 1.336,1256 1.316,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.26,1262 1.207,1263 1.453,1264 1.443,1265 0.517,1266 1.454,1267 1.163,1268 1.116,1269 1.417,1270 1.371,1271 0.469,1272 1.362,1273 0.934,1274 0.83,1275 1.206,1276 1.239,1277 0.441,1278 1.308,1279 4.174,1281 5.565,1282 3.045,1283 7.133,1284 5.352,1285 8.788,1286 7.413,1287 10.491,1289 5.98,1295 1.998,1296 3.057,1297 5.855,1300 2.144,1301 -0.274,1305 31.938,1306 82.834,1307 197.763,1308 242.101,1309 246.856,1310 246.856,1311 246.856,1312 41.521,1313 8.266,1314 83.14,1315 111.38,1316 28,1317 12.898,1318 4.17,1319 3.322,1320 37.556,1321 100,1322 106,1323 0.183,1324 195.326,1325 330.03,1326 468.355,1327 45894,1329 19.466,1330 0.695,1331 0.6,1332 19.819,1333 16.814,1334 13.394,1335 0.419,1336 0.316,1337 9.219,1338 12.432,1339 8.826,1340 7.294,1341 13.802,1342 10.102,1343 13.475,1344 0.275,1345 0.18,1346 14.091,1347 8.818,1348 10.965,1349 0.166,1350 0.093,1351 11.855,1352 6.128,1353 10.007,1354 0.106,1355 0.05,1356 10.914,1357 4.738,1358 7.859,1359 0.065,1360 0.029,1361 8.828,1362 3.469,1363 0.282,1364 88.12,1365 0.216,1366 26.234,1367 0.521,1368 162,1369 447.933,1370 205.567,1371 452.717,1372 635.18,1373 426,1374 196,1375 472.214,1376 239.275,1377 492.093,1378 731.66,1379 463,1380 6.197}
{0 CHEMBL467552,1 1.629,2 9.385,3 2.758,4 7.605,5 104.246,6 7.451,7 0.379,8 4.016,9 4.138,10 3.638,11 3.553,12 5.025,13 3.507,14 4.602,15 4.796,16 4.091,17 3.976,18 5.565,19 3.923,20 4.827,21 5.008,22 4.157,23 4.167,24 5.807,25 4.069,26 5.019,27 5.29,28 4.103,29 4.188,30 5.912,31 4.036,32 4.743,33 4.937,34 4.002,35 4.049,36 5.783,37 3.922,38 4.679,39 4.889,40 3.826,41 3.97,42 5.529,43 3.822,44 4.638,45 4.864,46 3.777,47 3.847,48 5.581,49 3.764,50 4.685,51 4.89,52 3.706,53 3.866,54 5.696,55 3.742,56 0.011,57 0.775,58 11.433,59 4.785,60 7.24,61 6.262,62 0.289,63 1.292,64 24.275,65 7.667,66 23.037,67 10.612,68 0.306,69 1.57,70 30.007,71 10.267,72 31.572,73 13.705,74 0.371,75 1.698,76 43.003,77 14.11,78 46.151,79 18.612,80 0.52,81 1.406,82 31.47,83 9.993,84 51.998,85 12.382,86 0.203,87 1.296,88 30.847,89 10.689,90 18.72,91 13.386,92 0.321,93 1.215,94 26.805,95 7.843,96 28.065,97 10.749,98 0.457,99 1.174,100 25.818,101 9.013,102 47.735,103 11.824,104 28,105 44,106 0.276,107 0.618,108 0.795,109 0.811,110 0.811,111 0.811,112 3.305,113 0.997,114 -3.66,115 -3.63,116 -3.45,119 38,120 2,121 1,124 2,125 3,130 1,142 3,143 1,144 2,146 1,152 1,158 1,162 1,172 3,174 1,175 6,178 1,180 3,183 5,186 1,187 7,192 1,195 2,198 1,199 10,202 1,207 1,211 3,212 3,215 1,220 4,223 1,224 3,232 2,236 1,237 3,242 1,245 2,249 1,250 2,253 1,255 2,258 3,263 4,268 1,271 4,275 970,276 16.98,277 16.98,278 16.98,279 16.98,280 16.98,281 15.619,282 31.086,283 9.671,284 17.574,285 14.363,286 14.363,287 14.363,288 14.363,289 14.363,290 12.094,291 51.141,292 4.645,293 15.375,294 4.015,295 1.999,296 0.955,297 0.86,298 0.86,299 0.86,300 3.997,303 1,304 1,305 1,306 527,307 3.317,310 46.276,311 182.983,314 91.154,315 102.819,318 1.491,319 21.913,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 56,331 244,332 4.564,333 3.726,334 6.881,335 4.307,336 3.349,337 4.167,338 1.058,339 11.552,340 3.216,341 4.369,342 3.409,343 6.705,344 4.076,345 3.141,346 3.941,347 0.916,348 10.918,349 2.939,350 4.052,351 3.134,352 6.312,353 3.755,354 2.816,355 3.219,356 0.86,357 9.535,358 2.634,359 3.726,360 2.91,361 5.734,362 3.461,363 2.503,364 2.969,365 0.8,366 7.712,367 2.392,368 3.537,369 2.782,370 5.355,371 3.2,372 2.269,373 2.769,374 0.172,375 6.903,376 2.101,377 3.246,378 2.467,379 5.117,380 2.912,381 1.936,382 2.394,384 5.846,385 1.87,386 2.987,387 2.191,388 4.585,389 2.78,390 1.854,391 2.017,393 4.59,394 1.708,395 2.827,396 1.763,397 4.409,398 2.387,399 1.458,400 1.948,402 4.301,403 1.346,404 2.486,405 1.584,406 3.974,407 2.285,408 1.368,409 1.483,411 3.281,412 1.239,413 2.311,414 1.248,415 3.794,416 1.733,417 0.854,418 1.178,420 2.393,421 0.73,422 2.024,423 0.953,424 3.381,425 1.646,426 0.732,427 0.921,428 1.891,429 0.658,430 1.202,431 0.457,432 3.228,433 0.966,434 0.01,435 0.011,436 0.026,437 0.009,438 1.025,439 0.365,440 2.794,441 0.716,442 -0.251,443 -0.289,445 -0.767,446 -0.239,447 0.757,448 -0.071,449 2.717,450 0.533,451 -0.455,452 -0.519,454 -1.299,455 -0.435,456 0.695,457 -0.281,458 2.519,459 0.415,460 -0.514,461 -0.593,463 -1.351,464 -0.481,465 12.6,466 0.485,467 0.937,468 0.036,469 30.25,470 1.163,471 12.5,472 0.481,473 17.75,474 0.683,475 26.306,476 1.012,477 28.8,478 0.576,479 21.175,480 0.814,481 5.588,482 0.215,483 6.734,484 0.259,485 0.185,486 0.04,487 0.341,493 0.818,494 1.469,495 0.768,496 1.082,497 0.639,498 1.014,499 1.007,500 0.986,501 0.729,502 0.764,503 0.556,504 0.708,505 1.118,506 1.248,507 1.03,508 1.135,509 1.011,510 1.169,511 0.704,512 0.935,513 0.913,514 0.948,515 0.672,516 0.802,517 1.377,518 0.936,519 1.372,520 1.109,521 1.958,522 1.113,523 0.793,524 1.323,525 1.387,526 1.449,527 0.604,528 1.21,529 1.341,530 0.928,531 1.1,532 0.973,533 1.161,534 0.939,535 1.478,536 1.062,537 1.033,538 1.006,539 1.367,540 1.174,541 7.5,542 0.124,543 3.111,544 2.507,545 1.952,546 0.956,547 0.689,548 0.533,549 0.358,550 0.261,551 7376,552 17516,553 2.069,554 48,556 15,559 1,560 2,561 6,564 1.694,565 1.891,566 3.228,567 -0.294,568 1,569 1,573 81.443,574 1.629,575 3.645,576 4.688,577 4.783,578 4.783,579 4.783,580 2.701,581 4.364,582 4.672,583 3.378,584 1097.97,585 8.114,586 13217.7,588 1,590 1,591 282.193,592 1.693,593 4.603,594 0.259,595 0.011,596 0.071,597 0.058,598 0.046,599 0.027,600 0.022,601 0.017,602 0.013,603 0.014,604 0.539,605 0.5,606 1,607 1,608 125.087,609 -0.02,610 -0.256,611 0.087,612 -0.051,613 -0.057,614 -0.011,615 0.035,616 0.143,617 0.231,618 0.215,619 0.12,620 0.25,621 -0.091,622 -0.135,623 -0.089,624 -0.139,625 -0.132,626 -0.201,627 0.126,628 0.011,629 0.196,630 0.114,631 0.188,632 0.212,633 -0.122,634 0.188,635 -0.207,636 -0.012,637 -0.31,638 -0.151,639 0.029,640 -0.271,641 -0.174,642 -0.254,643 0.009,644 -0.169,645 -0.167,646 0.137,647 -0.12,648 -0.032,649 -0.04,650 -0.005,651 -0.065,652 -0.113,653 -0.174,654 -0.101,655 -0.026,656 -0.227,657 1.685,658 5.429,659 0.731,660 20.663,661 0.999,662 1.13,663 2.427,664 5.89,665 0.664,666 3.401,667 3.807,668 4.06,669 4.419,670 4.673,671 4.844,672 5.004,673 5.176,674 5.268,675 5.323,676 5.735,677 0.619,678 372.54,679 3.401,680 4.99,681 5.855,682 6.781,683 7.667,684 8.596,685 9.493,686 10.422,687 11.325,688 12.254,689 8,692 1,696 1,697 1,699 1,704 3,705 1,708 1,709 6,711 11,718 1,726 1,729 1,731 50,733 12,734 1,735 29,737 53,738 19,739 9,740 3,741 3,742 1,746 4,747 6,752 2,755 1,756 1,758 1,761 10,762 9,763 1,766 1,771 1,775 1,777 1,778 1,781 24,782 6,783 1,784 7,785 1,790 4,794 0.5,795 2,811 1,812 3,815 1,816 1,836 1,840 2,842 1,844 4,848 26,854 4,855 1,856 1,859 2,860 1,863 1,870 4,873 1,875 1,877 13.75,878 10.35,879 5.389,880 2.932,881 2.226,882 1.285,883 0.972,884 4.536,885 10.046,886 3.597,887 4.201,888 4.728,889 5.34,890 5.792,891 6.132,892 6.471,893 6.825,894 7.108,895 7.359,896 1,897 43,898 9.662,900 4.164,901 7.606,902 18.807,904 15.905,905 2.106,906 54.75,909 1,910 270.735,911 125.994,912 41.045,914 36.145,916 31.278,917 94.717,918 306.88,919 41.045,920 34.443,921 29.349,922 28.429,923 46.635,924 31.692,925 1.358,926 302.013,928 270.735,929 135.761,930 36.145,931 31.278,933 200.109,934 106.771,937 56.506,938 62.47,939 16.786,940 31.278,941 270.735,942 77.19,943 125.994,946 270.735,947 63.122,948 69.121,949 18.011,950 52.93,951 270.735,952 77.19,953 125.994,955 0.603,956 0.33,957 0.189,958 0.106,959 24,960 11,961 0.057,962 3,963 2,964 1.211,965 3.653,966 233.362,967 0.211,968 19,969 118.211,970 1,974 17.897,975 6.59,976 3.536,978 77.19,979 6.299,980 4.828,983 1.471,984 5.63,986 18.011,987 473.919,988 35.5,993 12.429,997 -0.019,999 49.974,1000 56.484,1001 0.289,1002 0.646,1003 0.831,1004 0.848,1005 0.848,1006 0.848,1007 4.903,1008 1.458,1009 5.911,1010 4.59,1011 4.489,1012 4.887,1013 1.972,1014 6.801,1015 4.363,1016 6.136,1017 1.368,1018 7.521,1019 4.301,1020 4.369,1021 4.868,1022 0.57,1023 7.972,1024 4.214,1025 7.475,1026 0.854,1027 9.233,1028 3.281,1029 6.209,1030 7.045,1031 1.795,1032 11.012,1033 5.978,1034 8.841,1035 0.732,1036 11.002,1037 2.393,1038 6.825,1039 7.772,1040 0.581,1041 12.935,1042 6.559,1043 10.237,1044 0.01,1045 12.808,1046 1.891,1047 8.229,1048 9.505,1049 1.721,1050 15.558,1051 7.903,1052 11.652,1053 -0.251,1054 14.638,1055 0.026,1056 9.163,1057 10.576,1058 0.515,1059 17.773,1060 8.795,1061 13.083,1062 -0.455,1063 16.485,1064 -0.767,1065 10.413,1066 12.129,1067 1.698,1068 20.261,1069 9.995,1070 3.349,1071 -0.514,1072 18.344,1073 -1.299,1074 11.485,1075 13.368,1076 0.441,1077 22.595,1078 11.024,1079 3.141,1080 11.552,1081 20.214,1082 -1.351,1083 12.683,1084 14.842,1085 1.708,1086 25.037,1087 12.176,1088 2.816,1089 10.918,1090 22.091,1091 4.167,1092 13.816,1093 16.165,1094 0.373,1095 27.421,1096 13.267,1097 2.503,1098 9.535,1099 23.975,1100 3.941,1101 14.999,1102 17.604,1103 1.742,1104 29.849,1105 14.407,1106 2.269,1107 7.712,1108 25.863,1109 3.219,1110 16.16,1111 18.97,1112 0.314,1113 32.256,1114 15.526,1115 1.936,1116 6.903,1117 27.756,1118 2.969,1119 17.341,1120 20.393,1121 1.793,1122 34.681,1123 16.665,1124 1.854,1125 5.846,1126 29.652,1127 2.769,1128 18.516,1129 21.781,1130 0.264,1131 37.098,1132 17.799,1133 7125,1134 11147,1135 18.898,1136 33.194,1137 45.328,1138 46.197,1139 46.118,1140 44.503,1141 44.581,1142 54.033,1143 7.614,1144 137.894,1145 41.683,1146 5.514,1147 5.726,1148 6.41,1149 5.45,1150 5.349,1151 7.167,1152 2.117,1153 18.893,1154 5.216,1155 14.672,1156 1.563,1157 1.593,1158 1.59,1159 1.535,1160 1.537,1161 1.863,1162 0.263,1163 4.755,1164 1.437,1165 4.044,1166 4.072,1167 4.277,1168 3.97,1169 7.429,1170 3.948,1171 3.913,1172 3.943,1173 3.901,1174 3.838,1175 4.898,1176 3.825,1177 3.636,1178 3.71,1179 3.601,1180 3.488,1181 4.728,1182 3.462,1183 3.519,1184 3.578,1185 3.457,1186 3.354,1187 4.385,1188 3.347,1189 3.395,1190 3.46,1191 3.246,1192 3.211,1193 4.285,1194 3.205,1195 3.134,1196 3.165,1197 3.076,1198 2.847,1199 4.175,1200 2.894,1201 2.96,1202 3.026,1203 2.828,1204 2.789,1205 3.803,1206 2.787,1207 2.874,1208 3.009,1209 2.762,1210 2.719,1211 3.515,1212 2.701,1213 0.157,1214 0.128,1215 0.237,1216 0.149,1217 0.115,1218 4.564,1219 0.144,1220 3.726,1221 0.036,1222 6.881,1223 0.398,1224 4.307,1225 0.111,1226 3.349,1227 4.167,1228 1.058,1229 11.552,1230 3.216,1231 1.938,1232 1.913,1233 2.039,1234 2.062,1235 1.262,1236 2.056,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.232,1242 1.991,1243 1.577,1244 1.511,1245 1.817,1246 1.829,1247 1.04,1248 1.833,1249 1.423,1250 1.356,1251 1.684,1252 1.627,1253 0.833,1254 1.652,1255 1.334,1256 1.301,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.166,1262 1.124,1263 1.417,1264 1.374,1265 0.49,1266 1.363,1267 0.96,1268 0.892,1269 1.417,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.809,1275 1.288,1276 1.239,1277 0.469,1278 1.308,1279 4.078,1281 5.46,1282 2.398,1283 7.022,1284 4.727,1285 8.676,1286 6.862,1287 10.38,1289 8.181,1295 2.965,1296 3.061,1297 5.834,1300 4.325,1301 -0.253,1305 30.97,1306 81.443,1307 182.244,1308 234.418,1309 239.173,1310 239.173,1311 239.173,1312 41.584,1313 7.82,1314 57.7,1315 85.94,1316 23,1317 12.761,1318 3.7,1319 2.907,1320 37.903,1321 88,1322 90,1323 0.213,1324 192.188,1325 330.27,1326 460.698,1327 25909,1329 18.474,1330 0.711,1331 0.632,1332 18.828,1333 16.443,1334 12.321,1335 0.425,1336 0.332,1337 8.752,1338 11.38,1339 8.287,1340 6.918,1341 12.73,1342 9.642,1343 12.532,1344 0.285,1345 0.2,1346 13.148,1347 8.805,1348 9.435,1349 0.166,1350 0.1,1351 10.325,1352 5.689,1353 8.837,1354 0.108,1355 0.055,1356 9.744,1357 4.522,1358 6.975,1359 0.066,1360 0.031,1361 7.945,1362 3.318,1363 0.326,1364 81.604,1365 0.23,1366 24.578,1367 0.611,1368 146,1369 393.6,1370 187.152,1371 398.743,1372 551.12,1373 374,1374 174,1375 396.834,1376 215.582,1377 420.712,1378 622.66,1379 391,1380 4.699}
{0 CHEMBL467553,1 1.719,2 9.444,3 2.518,4 6.342,5 103.423,6 8.293,7 0.516,8 3.972,9 4.083,10 3.684,11 3.54,12 5.058,13 3.518,14 4.528,15 4.686,16 4.144,17 3.972,18 5.596,19 3.94,20 4.761,21 4.941,22 4.174,23 4.114,24 5.788,25 4.04,26 4.857,27 5.081,28 4.133,29 4.129,30 5.873,31 4.014,32 4.69,33 4.877,34 4.033,35 4.003,36 5.778,37 3.9,38 4.538,39 4.72,40 3.881,41 3.899,42 5.498,43 3.792,44 4.509,45 4.695,46 3.87,47 3.801,48 5.583,49 3.754,50 4.585,51 4.785,52 3.752,53 3.8,54 5.668,55 3.704,56 0.058,57 0.747,58 8.645,59 4.115,60 6.654,61 4.863,62 0.296,63 1.255,64 18.951,65 7.074,66 22.403,67 8.734,68 0.407,69 1.497,70 25.275,71 9.129,72 31.28,73 11.024,74 0.394,75 1.571,76 35.092,77 12.237,78 39.875,79 14.94,80 0.579,81 1.375,82 27.842,83 9.129,84 54.278,85 10.15,86 0.246,87 1.202,88 25.74,89 9.197,90 15.562,91 10.569,92 0.364,93 1.13,94 19.975,95 6.734,96 29.301,97 8.194,98 0.507,99 1.146,100 22.645,101 7.904,102 47.353,103 9.726,104 10,105 47,106 0.292,107 0.697,108 0.835,109 0.852,110 0.852,111 0.852,112 3.341,113 0.936,114 -3.55,115 -3.53,116 -3.36,119 41.3,120 2,121 1,125 2,130 1,142 3,143 1,144 2,146 2,151 1,152 1,158 1,160 1,162 1,172 3,174 1,175 6,178 2,180 3,183 5,186 1,187 7,192 2,195 2,198 1,199 10,202 1,204 2,207 1,211 3,212 3,215 1,217 1,220 4,223 1,224 3,227 1,232 2,236 1,237 3,240 1,242 1,245 2,249 1,250 2,253 2,255 3,258 3,263 4,268 1,271 4,275 1061,276 18.187,277 18.187,278 18.187,279 18.187,280 18.187,281 16.268,282 24.022,283 10.378,284 18.805,285 15.351,286 15.351,287 15.351,288 15.351,289 15.351,290 12.3,291 39.53,292 4.962,293 16.403,294 3.805,295 1.421,296 0.614,297 0.511,298 0.511,299 0.511,300 4.05,303 1,304 1,305 1,306 572,307 2.739,310 109.974,311 185.952,314 93.731,315 103.591,318 1.498,319 24.439,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 255,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.177,338 1.058,339 11.552,340 3.216,341 4.408,342 3.406,343 6.712,344 4.096,345 3.155,346 4.028,347 0.86,348 10.943,349 2.981,350 4.127,351 3.134,352 6.32,353 3.808,354 2.865,355 3.575,356 0.8,357 9.578,358 2.687,359 3.992,360 2.889,361 6.118,362 3.664,363 2.709,364 3.194,366 8.943,367 2.578,368 3.607,369 2.753,370 5.681,371 3.235,372 2.3,373 2.837,375 7.461,376 2.134,377 3.285,378 2.466,379 5.117,380 2.913,381 1.934,382 2.565,384 5.848,385 1.875,386 3.206,387 1.97,388 4.6,389 2.735,390 1.801,391 2.385,393 4.68,394 1.675,395 2.828,396 1.66,397 4.472,398 2.388,399 1.459,400 1.948,402 4.284,403 1.347,404 2.515,405 1.581,406 3.975,407 2.289,408 1.374,409 1.516,411 3.278,412 1.242,413 2.356,414 1.248,415 3.794,416 1.852,417 0.922,418 1.291,420 2.396,421 0.853,422 2.299,423 0.986,424 3.396,425 1.708,426 0.831,427 1.166,428 2.137,429 0.706,430 2.118,431 0.824,432 3.279,433 1.597,434 0.676,435 0.927,436 1.754,437 0.617,438 1.982,439 0.618,440 3.221,441 1.531,442 0.618,443 0.862,445 1.372,446 0.564,447 1.046,448 0.457,449 3,450 0.759,451 -0.204,452 -0.236,454 -0.597,455 -0.194,456 0.965,457 -0.009,458 2.794,459 0.601,460 -0.348,461 -0.415,463 -0.989,464 -0.322,465 13,466 0.481,467 0.844,468 0.031,469 35.5,470 1.315,471 16.5,472 0.611,473 19,474 0.704,475 24.477,476 0.907,477 28.4,478 0.617,479 24.186,480 0.896,481 6.53,482 0.242,483 6.47,484 0.24,485 0.103,486 0.038,487 0.338,493 0.845,494 1.321,495 0.699,496 0.951,497 0.623,498 0.87,499 0.882,500 1.07,501 0.711,502 0.857,503 0.579,504 0.772,505 1.13,506 1.071,507 0.977,508 0.997,509 0.986,510 1.03,511 0.787,512 1.043,513 1.064,514 1.1,515 0.768,516 0.933,517 1.359,518 0.879,519 1.36,520 1.049,521 1.899,522 1.042,523 0.765,524 1.258,525 1.456,526 1.49,527 0.58,528 1.186,529 1.302,530 0.97,531 0.968,532 0.927,533 1.244,534 0.942,535 1.223,536 1.007,537 1.064,538 1.036,539 1.334,540 1.137,541 6.5,542 0.131,543 3.556,544 2.16,545 1.842,546 1.018,547 0.6,548 0.407,549 0.347,550 0.227,551 8825,552 23364,553 2.175,554 41.3,556 7,557 1,558 1,559 2,560 2,561 6,564 1.704,565 2.038,566 3.253,567 0.304,568 1,569 1,573 79.053,574 1.719,575 4.102,576 4.909,577 5.012,578 5.012,579 5.012,580 2.696,581 4.236,582 4.729,583 3.397,584 1192.18,585 8.224,586 14688.9,588 1,590 1,591 254.084,592 1.548,593 4.683,594 0.21,595 0.009,596 0.076,597 0.048,598 0.042,599 0.028,600 0.017,601 0.012,602 0.012,603 0.011,604 0.464,605 0.5,606 0.88,607 0.528,608 131.403,609 -0.076,610 -0.183,611 0.07,612 -0.009,613 -0.057,614 0.021,615 0.062,616 0.018,617 0.182,618 0.103,619 0.096,620 0.144,621 -0.131,622 -0.023,623 -0.053,624 -0.036,625 -0.131,626 -0.101,627 0.073,628 -0.077,629 0.09,630 0.009,631 0.144,632 0.105,633 -0.161,634 0.192,635 -0.208,636 0.029,637 -0.332,638 -0.106,639 0.051,640 -0.21,641 -0.211,642 -0.286,643 0.052,644 -0.168,645 -0.123,646 0.064,647 -0.074,648 -0.018,649 -0.065,650 -0.035,651 -0.001,652 -0.059,653 -0.149,654 -0.104,655 -0.034,656 -0.188,657 1.705,658 5.457,659 0.889,660 20.996,661 1.009,662 1.125,663 2.323,664 5.394,665 0.694,666 3.466,667 3.871,668 4.174,669 4.522,670 4.754,671 4.949,672 5.118,673 5.308,674 5.447,675 5.517,676 5.82,677 0.661,678 381.5,679 3.466,680 5.056,681 5.938,682 6.862,683 7.758,684 8.685,685 9.588,686 10.516,687 11.423,688 12.351,689 10.9,696 1,697 2,699 2,704 5,705 2,706 1,708 1,709 7,711 16,718 1,726 1,729 1,731 46,733 17,734 1,735 31,737 50,738 19,739 12,740 3,741 3,742 1,746 5,747 7,752 2,755 1,756 1,758 1,761 13,762 6,763 1,766 1,771 1,775 1,777 1,778 1,781 19,782 6,783 2,784 8,785 1,787 1,790 5,794 0.6,795 2,811 2,812 3,815 1,816 1,840 3,842 1,844 2,848 27,854 3,855 1,856 1,859 1,860 1,863 1,870 4.3,873 1,875 1,877 13.25,878 9.017,879 5.583,880 2.736,881 2.905,882 1.356,883 1.022,884 3.933,885 11.061,886 3.714,887 4.344,888 4.931,889 5.549,890 5.959,891 6.374,892 6.777,893 7.174,894 7.53,895 7.811,896 1,897 45,898 10.004,900 4.43,901 7.664,902 19.268,904 16.593,905 2.164,906 58.417,909 1,910 200.109,911 127.519,912 71.492,914 36.145,916 31.278,917 96.241,918 236.254,919 71.492,920 17.65,921 27.243,922 37.476,923 83.81,924 48.11,925 13.13,926 207.844,928 200.109,929 167.732,930 36.145,931 31.278,933 129.482,934 106.771,937 79.436,938 54.725,939 33.571,940 31.278,941 200.109,942 107.636,943 127.519,946 200.109,947 63.773,948 66.869,949 34.796,950 69.716,951 200.109,952 107.636,953 127.519,955 0.602,956 0.349,957 0.198,958 0.103,959 27,960 11,961 0.04,962 2,963 2,964 1.167,965 3.832,966 254.038,967 0.167,968 24,969 126.382,970 1,974 17.05,975 6.229,976 2.998,978 90.851,979 9.563,980 9.149,981 2.986,983 1.443,984 6.067,986 34.796,987 435.264,988 40,993 12.457,997 -0.038,999 46.425,1000 51.737,1001 0.311,1002 0.743,1003 0.889,1004 0.907,1005 0.907,1006 0.907,1007 5.004,1008 1.459,1009 5.979,1010 4.68,1011 4.554,1012 5.03,1013 1.737,1014 6.874,1015 4.432,1016 6.238,1017 1.374,1018 7.59,1019 4.284,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.229,1025 7.577,1026 0.922,1027 9.305,1028 3.278,1029 6.275,1030 7.22,1031 1.622,1032 11.093,1033 6.053,1034 8.947,1035 0.831,1036 11.079,1037 2.396,1038 6.878,1039 7.916,1040 0.268,1041 13.015,1042 6.629,1043 10.347,1044 0.676,1045 12.889,1046 2.137,1047 8.3,1048 9.692,1049 1.587,1050 15.634,1051 7.989,1052 11.767,1053 0.618,1054 14.722,1055 1.754,1056 9.231,1057 10.752,1058 0.188,1059 17.843,1060 8.883,1061 13.202,1062 -0.204,1063 16.571,1064 1.372,1065 10.485,1066 12.318,1067 1.592,1068 20.324,1069 10.086,1070 3.349,1071 -0.348,1072 18.432,1073 -0.597,1074 11.554,1075 13.554,1076 0.125,1077 22.65,1078 11.115,1079 3.155,1080 11.552,1081 20.301,1082 -0.989,1083 12.752,1084 15.031,1085 1.624,1086 25.086,1087 12.266,1088 2.865,1089 10.943,1090 22.177,1091 4.177,1092 13.881,1093 16.353,1094 0.082,1095 27.464,1096 13.354,1097 2.709,1098 9.578,1099 24.058,1100 4.028,1101 15.061,1102 17.791,1103 1.676,1104 29.887,1105 14.492,1106 2.3,1107 8.943,1108 25.944,1109 3.575,1110 16.218,1111 19.157,1112 0.054,1113 32.289,1114 15.608,1115 1.934,1116 7.461,1117 27.833,1118 3.194,1119 17.397,1120 20.579,1121 1.742,1122 34.71,1123 16.745,1124 1.801,1125 5.848,1126 29.726,1127 2.837,1128 18.568,1129 21.967,1130 0.035,1131 37.125,1132 17.875,1133 8140,1134 13403,1135 20.978,1136 31.915,1137 49.028,1138 49.297,1139 48.293,1140 47.839,1141 47.985,1142 60.941,1143 5.437,1144 148.453,1145 44.946,1146 5.517,1147 5.726,1148 6.478,1149 5.451,1150 5.349,1151 7.177,1152 2.117,1153 18.895,1154 5.216,1155 11.478,1156 1.582,1157 1.59,1158 1.558,1159 1.543,1160 1.548,1161 1.966,1162 0.175,1163 4.789,1164 1.45,1165 4.061,1166 4.093,1167 4.277,1168 3.979,1169 7.429,1170 3.965,1171 3.945,1172 3.982,1173 3.96,1174 3.864,1175 5.029,1176 3.848,1177 3.784,1178 3.84,1179 3.721,1180 3.582,1181 4.855,1182 3.609,1183 3.548,1184 3.596,1185 3.584,1186 3.459,1187 4.715,1188 3.421,1189 3.4,1190 3.459,1191 3.28,1192 3.235,1193 4.287,1194 3.23,1195 3.133,1196 3.164,1197 3.076,1198 2.843,1199 4.252,1200 2.893,1201 2.933,1202 3.009,1203 2.821,1204 2.752,1205 3.803,1206 2.759,1207 2.874,1208 2.995,1209 2.756,1210 2.663,1211 3.588,1212 2.635,1213 0.147,1214 0.12,1215 0.222,1216 0.139,1217 0.108,1218 4.567,1219 0.135,1220 3.726,1221 0.034,1222 6.881,1223 0.373,1224 4.307,1225 0.104,1226 3.349,1227 4.177,1228 1.058,1229 11.552,1230 3.216,1231 1.933,1232 1.912,1233 2.015,1234 2.049,1235 1.262,1236 2.039,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.197,1242 1.99,1243 1.535,1244 1.489,1245 1.724,1246 1.734,1247 0.964,1248 1.731,1249 1.385,1250 1.322,1251 1.581,1252 1.674,1253 0.691,1254 1.659,1255 1.335,1256 1.292,1257 1.509,1258 1.495,1259 0.565,1260 1.512,1261 1.201,1262 1.153,1263 1.417,1264 1.389,1265 0.469,1266 1.376,1267 1.157,1268 1.105,1269 1.331,1270 1.362,1271 0.447,1272 1.359,1273 0.934,1274 0.827,1275 1.204,1276 1.239,1277 0.323,1278 1.308,1279 4.143,1281 5.525,1282 3.045,1283 7.093,1284 5.283,1285 8.749,1286 7.31,1287 10.455,1289 4.042,1295 2,1296 3.051,1297 5.831,1300 2.137,1301 -0.272,1305 30.411,1306 79.053,1307 188.7,1308 225.819,1309 230.574,1310 230.574,1311 230.574,1312 38.923,1313 8.157,1314 83.14,1315 111.38,1316 28,1317 12.858,1318 4.17,1319 3.322,1320 35.64,1321 93,1322 86,1323 0.187,1324 185.734,1325 312.73,1326 444.95,1327 40035,1329 18.596,1330 0.689,1331 0.589,1332 18.949,1333 15.891,1334 13,1335 0.419,1336 0.312,1337 8.79,1338 12.036,1339 8.465,1340 6.977,1341 13.408,1342 9.675,1343 12.842,1344 0.273,1345 0.179,1346 13.457,1347 8.402,1348 10.629,1349 0.166,1350 0.093,1351 11.519,1352 5.92,1353 9.756,1354 0.107,1355 0.05,1356 10.664,1357 4.59,1358 7.454,1359 0.065,1360 0.029,1361 8.423,1362 3.326,1363 0.287,1364 85.848,1365 0.218,1366 25.401,1367 0.536,1368 156,1369 439.933,1370 198.901,1371 444.179,1372 621.35,1373 418,1374 189,1375 458.58,1376 231.942,1377 478.374,1378 711.43,1379 450,1380 6.133}
{0 CHEMBL467561,1 1.69,2 9.536,3 2.702,4 7.303,5 108.168,6 8.072,7 0.5,8 4.025,9 4.138,10 3.716,11 3.584,12 5.092,13 3.558,14 4.592,15 4.762,16 4.18,17 4.012,18 5.63,19 3.98,20 4.813,21 4.989,22 4.229,23 4.172,24 5.841,25 4.1,26 4.946,27 5.178,28 4.176,29 4.201,30 5.944,31 4.083,32 4.764,33 4.954,34 4.077,35 4.086,36 5.832,37 3.974,38 4.651,39 4.847,40 3.937,41 3.982,42 5.574,43 3.864,44 4.606,45 4.805,46 3.948,47 3.871,48 5.646,49 3.831,50 4.678,51 4.866,52 3.862,53 3.922,54 5.748,55 3.818,56 0.037,57 0.788,58 9.664,59 4.456,60 6.548,61 5.447,62 0.311,63 1.33,64 21.35,65 7.437,66 22.591,67 9.509,68 0.381,69 1.588,70 26.978,71 9.56,72 30.945,73 11.879,74 0.419,75 1.712,76 38.168,77 12.915,78 43.181,79 16.132,80 0.579,81 1.471,82 30.101,83 10.117,84 54.582,85 11.741,86 0.256,87 1.318,88 28.899,89 10.273,90 17.605,91 12.391,92 0.371,93 1.247,94 23.072,95 7.072,96 29.024,97 9.083,98 0.498,99 1.244,100 24,101 8.84,102 48.164,103 10.748,104 17,105 49,106 0.284,107 0.672,108 0.83,109 0.846,110 0.846,111 0.846,112 3.376,113 0.944,114 -3.78,115 -3.74,116 -3.56,119 40.8,120 2,121 1,124 1,125 2,130 1,142 3,143 1,144 2,145 1,146 1,151 1,152 1,158 1,161 1,162 1,172 3,174 2,175 7,178 1,180 3,183 5,186 1,187 9,192 1,195 2,198 1,199 11,202 1,207 1,211 4,212 3,215 1,220 4,223 2,224 3,232 2,236 2,237 4,242 1,245 2,249 1,250 2,253 1,255 2,258 3,263 5,268 1,271 4,275 1168,276 18.687,277 18.687,278 18.687,279 18.687,280 18.687,281 16.715,282 27.184,283 10.536,284 19.342,285 15.818,286 15.818,287 15.818,288 15.818,289 15.818,290 12.689,291 42.03,292 5.009,293 16.939,294 3.924,295 1.612,296 0.674,297 0.577,298 0.577,299 0.577,300 4.082,304 1,305 1,306 595,307 2.828,310 115.359,311 194.049,314 97.868,315 107.96,318 1.536,319 24.006,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 267,332 4.569,333 3.726,334 6.881,335 4.307,336 3.35,337 4.192,338 1.058,339 11.553,340 3.216,341 4.446,342 3.409,343 6.72,344 4.111,345 3.168,346 4.092,347 0.86,348 10.966,349 2.994,350 4.232,351 3.135,352 6.443,353 3.886,354 2.959,355 3.745,356 0.8,357 9.932,358 2.733,359 4.027,360 3.015,361 6.3,362 3.712,363 2.772,364 3.202,366 9.466,367 2.602,368 3.627,369 2.825,370 5.703,371 3.263,372 2.325,373 2.862,375 7.528,376 2.163,377 3.38,378 2.468,379 5.119,380 2.968,381 2.005,382 2.671,384 5.859,385 1.926,386 3.235,387 2.156,388 5.047,389 2.88,390 1.919,391 2.39,393 5.735,394 1.822,395 2.828,396 1.749,397 4.579,398 2.393,399 1.465,400 1.948,402 4.35,403 1.351,404 2.565,405 1.584,406 4.009,407 2.297,408 1.382,409 1.59,411 3.343,412 1.248,413 2.515,414 1.248,415 3.802,416 2.056,417 1.142,418 1.516,420 2.706,421 1.043,422 2.353,423 1.218,424 3.785,425 1.866,426 0.92,427 1.285,428 2.394,429 0.865,430 2.297,431 0.986,432 3.407,433 1.708,434 0.83,435 1.165,436 2.207,437 0.706,438 1.983,439 0.821,440 3.365,441 1.598,442 0.675,443 0.862,445 1.78,446 0.617,447 1.055,448 0.457,449 3.226,450 0.767,451 -0.193,452 -0.224,454 -0.546,455 -0.183,456 0.991,457 0.005,458 2.794,459 0.634,460 -0.319,461 -0.381,463 -0.901,464 -0.297,465 13.5,466 0.482,467 0.933,468 0.033,469 36.25,470 1.295,471 16.5,472 0.589,473 19.75,474 0.705,475 26.326,476 0.94,477 29.7,478 0.606,479 25.598,480 0.914,481 6.673,482 0.238,483 6.738,484 0.241,485 0.136,486 0.037,487 0.356,493 0.82,494 1.414,495 0.707,496 1.014,497 0.624,498 0.923,499 0.934,500 1.042,501 0.698,502 0.8,503 0.57,504 0.716,505 1.152,506 1.143,507 0.982,508 1.025,509 0.991,510 1.046,511 0.853,512 1.014,513 1.076,514 1.061,515 0.797,516 0.927,517 1.267,518 0.865,519 1.328,520 1.07,521 1.862,522 1.073,523 0.664,524 1.313,525 1.353,526 1.45,527 0.552,528 1.171,529 1.366,530 0.908,531 0.936,532 0.885,533 1.19,534 0.873,535 1.436,536 1.058,537 1.073,538 1.009,539 1.368,540 1.16,541 7,542 0.16,543 4,544 2.632,545 1.922,546 1.046,547 0.722,548 0.492,549 0.367,550 0.272,551 9588,552 24513,553 2.146,554 42.9,556 10,557 1,558 1,559 1,560 2,561 6,564 1.714,565 1.988,566 3.262,567 -0.288,568 1,569 1,573 82.834,574 1.69,575 4.003,576 4.941,577 5.038,578 5.038,579 5.038,580 2.693,581 4.352,582 4.782,583 3.427,584 1295.22,585 8.331,586 16412,588 1,590 1,591 275.121,592 1.617,593 4.726,594 0.219,595 0.01,596 0.082,597 0.055,598 0.042,599 0.027,600 0.02,601 0.013,602 0.011,603 0.012,604 0.49,605 0.5,606 0.88,607 0.573,608 138.009,609 -0.044,610 -0.263,611 0.082,612 -0.053,613 -0.056,614 -0.007,615 0.058,616 0.062,617 0.218,618 0.158,619 0.109,620 0.205,621 -0.127,622 -0.068,623 -0.059,624 -0.064,625 -0.123,626 -0.121,627 0.032,628 -0.027,629 0.056,630 0.022,631 0.118,632 0.089,633 -0.099,634 0.205,635 -0.195,636 0.007,637 -0.315,638 -0.124,639 0.125,640 -0.283,641 -0.139,642 -0.267,643 0.063,644 -0.142,645 -0.148,646 0.149,647 -0.031,648 0.009,649 -0.04,650 0.028,651 -0.1,652 -0.102,653 -0.171,654 -0.073,655 -0.061,656 -0.221,657 1.703,658 5.495,659 0.857,660 22.265,661 1.006,662 1.126,663 2.55,664 6.503,665 0.687,666 3.497,667 3.912,668 4.22,669 4.564,670 4.787,671 4.977,672 5.165,673 5.357,674 5.489,675 5.58,676 5.961,677 0.652,678 395.53,679 3.497,680 5.094,681 5.979,682 6.907,683 7.806,684 8.735,685 9.64,686 10.57,687 11.479,688 12.408,689 10.2,696 1,697 2,699 2,704 5,705 2,708 1,709 7,710 1,711 16,718 1,726 1,729 1,731 49,733 17,734 1,735 32,737 53,738 20,739 12,740 3,741 3,742 1,746 5,747 7,752 2,755 1,756 1,758 1,761 13,762 7,763 1,766 1,771 1,775 1,778 1,781 21,782 6,783 1,784 8,785 1,787 1,790 5,794 0.6,795 2,811 2,812 3,815 1,816 1,840 3,842 1,844 3,848 28,854 3,855 1,856 1,859 1,860 1,863 1,870 4.1,873 1,875 1,877 14.083,878 9.967,879 5.778,880 2.914,881 2.975,882 1.36,883 1.009,884 4.16,885 11.24,886 3.738,887 4.382,888 4.973,889 5.592,890 6.002,891 6.405,892 6.83,893 7.231,894 7.577,895 7.885,896 1,897 48,898 10.381,900 4.571,901 7.64,902 20.05,904 17.199,905 2.14,906 59.917,909 1,910 235.422,911 135.915,912 56.605,914 36.145,916 31.278,917 104.637,918 271.567,919 56.605,920 26.047,921 27.243,922 37.476,923 77.52,924 39.514,925 13.13,926 243.158,928 235.422,929 161.242,930 36.145,931 31.278,933 164.795,934 106.771,937 64.55,938 63.121,939 33.571,940 31.278,941 235.422,942 92.75,943 135.915,946 235.422,947 63.345,948 77.594,949 18.011,950 69.716,951 235.422,952 92.75,953 135.915,955 0.606,956 0.354,957 0.199,958 0.103,959 28,960 12,961 0.038,962 2,963 2,964 1.167,965 3.871,966 267.662,967 0.167,968 24,969 132.606,970 1,974 17.983,975 6.478,976 3.112,978 90.851,979 9.806,980 9.286,983 1.447,984 6.11,985 1.99,986 18.011,987 464.087,988 41,993 12.495,997 -0.037,999 49.309,1000 55.152,1001 0.301,1002 0.713,1003 0.88,1004 0.897,1005 0.897,1006 0.897,1007 5.037,1008 1.465,1009 6.028,1010 5.735,1011 4.595,1012 5.069,1013 1.737,1014 6.932,1015 4.468,1016 6.28,1017 1.382,1018 7.648,1019 4.35,1020 4.443,1021 5.017,1022 0.325,1023 8.106,1024 4.283,1025 7.626,1026 1.142,1027 9.37,1028 3.343,1029 6.326,1030 7.278,1031 1.622,1032 11.165,1033 6.09,1034 9.003,1035 0.92,1036 11.149,1037 2.706,1038 6.948,1039 8.016,1040 0.268,1041 13.09,1042 6.673,1043 10.41,1044 0.83,1045 12.963,1046 2.394,1047 8.362,1048 9.776,1049 1.587,1050 15.713,1051 8.026,1052 11.836,1053 0.675,1054 14.799,1055 2.207,1056 9.302,1057 10.867,1058 0.188,1059 17.922,1060 8.924,1061 13.276,1062 -0.193,1063 16.651,1064 1.78,1065 10.553,1066 12.428,1067 1.592,1068 20.403,1069 10.124,1070 3.35,1071 -0.319,1072 18.515,1073 -0.546,1074 11.627,1075 13.685,1076 0.125,1077 22.727,1078 11.154,1079 3.168,1080 11.553,1081 20.386,1082 -0.901,1083 12.822,1084 15.161,1085 1.624,1086 25.161,1087 12.304,1088 2.959,1089 10.966,1090 22.264,1091 4.192,1092 13.953,1093 16.498,1094 0.082,1095 27.535,1096 13.391,1097 2.772,1098 9.932,1099 24.147,1100 4.092,1101 15.131,1102 17.939,1103 1.676,1104 29.955,1105 14.528,1106 2.325,1107 9.466,1108 26.033,1109 3.745,1110 16.288,1111 19.315,1112 0.054,1113 32.352,1114 15.643,1115 2.005,1116 7.528,1117 27.924,1118 3.202,1119 17.464,1120 20.741,1121 1.742,1122 34.77,1123 16.778,1124 1.919,1125 5.859,1126 29.817,1127 2.862,1128 18.633,1129 22.136,1130 0.035,1131 37.18,1132 17.907,1133 8902,1134 14401,1135 21.383,1136 33.676,1137 50.799,1138 51.29,1139 51.022,1140 49.716,1141 49.826,1142 63.041,1143 5.437,1144 155.638,1145 46.57,1146 5.519,1147 5.726,1148 6.41,1149 5.451,1150 5.35,1151 7.192,1152 2.117,1153 18.896,1154 5.216,1155 13.661,1156 1.587,1157 1.603,1158 1.594,1159 1.554,1160 1.557,1161 1.97,1162 0.17,1163 4.864,1164 1.455,1165 4.071,1166 4.106,1167 4.277,1168 3.98,1169 7.429,1170 3.969,1171 3.955,1172 3.993,1173 3.981,1174 3.867,1175 4.992,1176 3.852,1177 3.805,1178 3.854,1179 3.746,1180 3.621,1181 4.837,1182 3.646,1183 3.55,1184 3.597,1185 3.585,1186 3.465,1187 4.711,1188 3.425,1189 3.403,1190 3.46,1191 3.282,1192 3.244,1193 4.287,1194 3.237,1195 3.133,1196 3.165,1197 3.076,1198 2.844,1199 4.242,1200 2.893,1201 3.034,1202 3.146,1203 2.821,1204 2.795,1205 3.869,1206 2.774,1207 2.932,1208 3.009,1209 2.785,1210 2.755,1211 3.802,1212 2.76,1213 0.143,1214 0.116,1215 0.215,1216 0.135,1217 0.105,1218 4.569,1219 0.131,1220 3.726,1221 0.033,1222 6.881,1223 0.361,1224 4.307,1225 0.1,1226 3.35,1227 4.192,1228 1.058,1229 11.553,1230 3.216,1231 1.934,1232 1.911,1233 2.016,1234 2.056,1235 1.262,1236 2.045,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.199,1242 1.991,1243 1.577,1244 1.516,1245 1.775,1246 1.82,1247 0.977,1248 1.809,1249 1.467,1250 1.409,1251 1.686,1252 1.656,1253 0.804,1254 1.67,1255 1.335,1256 1.311,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.24,1262 1.179,1263 1.445,1264 1.452,1265 0.469,1266 1.452,1267 1.163,1268 1.116,1269 1.417,1270 1.372,1271 0.45,1272 1.363,1273 0.934,1274 0.838,1275 1.208,1276 1.239,1277 0.423,1278 1.308,1279 4.174,1281 5.565,1282 3.045,1283 7.138,1284 5.352,1285 8.799,1286 7.413,1287 10.508,1289 6.025,1295 2,1296 3.058,1297 5.863,1300 2.147,1301 -0.274,1305 31.938,1306 82.834,1307 196.153,1308 242.101,1309 246.856,1310 246.856,1311 246.856,1312 41.18,1313 8.266,1314 72.28,1315 100.52,1316 28,1317 12.914,1318 4.17,1319 3.322,1320 37.536,1321 99,1322 85,1323 0.185,1324 195.326,1325 330.03,1326 468.355,1327 45894,1329 19.466,1330 0.695,1331 0.601,1332 19.819,1333 16.838,1334 13.411,1335 0.419,1336 0.315,1337 9.175,1338 12.415,1339 8.785,1340 7.266,1341 13.819,1342 10.072,1343 13.369,1344 0.273,1345 0.18,1346 13.985,1347 8.809,1348 11.096,1349 0.166,1350 0.093,1351 11.986,1352 6.205,1353 10.163,1354 0.107,1355 0.05,1356 11.07,1357 4.796,1358 7.742,1359 0.065,1360 0.029,1361 8.712,1362 3.44,1363 0.284,1364 88.472,1365 0.216,1366 26.167,1367 0.53,1368 162,1369 451.245,1370 205.594,1371 454.767,1372 637.43,1373 428,1374 197,1375 472.707,1376 241.275,1377 493.42,1378 734.32,1379 463,1380 5.538}
{0 CHEMBL467966,1 1.655,2 8.043,3 3.17,4 10.051,5 90.745,6 7.844,7 0.423,8 3.857,9 3.966,10 3.53,11 3.438,12 4.89,13 3.393,14 4.433,15 4.601,16 4.006,17 3.862,18 5.445,19 3.81,20 4.676,21 4.854,22 4.067,23 4.024,24 5.689,25 3.938,26 4.806,27 5.05,28 3.98,29 4.023,30 5.766,31 3.878,32 4.555,33 4.751,34 3.848,35 3.845,36 5.624,37 3.721,38 4.367,39 4.538,40 3.602,41 3.739,42 5.281,43 3.592,44 4.358,45 4.577,46 3.417,47 3.593,48 5.323,49 3.489,50 4.363,51 4.586,52 3.282,53 3.509,54 5.396,55 3.391,56 0.018,57 0.639,58 8.882,59 4.111,60 5.513,61 5.065,62 0.213,63 1.095,64 19.331,65 6.972,66 19.506,67 8.988,68 0.322,69 1.358,70 25.056,71 8.659,72 28.936,73 10.871,74 0.315,75 1.443,76 35.23,77 12.028,78 38.504,79 14.962,80 0.512,81 1.17,82 26.875,83 8.238,84 49.681,85 9.425,86 0.143,87 0.98,88 23.406,89 8.407,90 12.902,91 9.513,92 0.225,93 0.922,94 20.812,95 6.737,96 24.341,97 8.437,98 0.344,99 0.831,100 17.763,101 6.649,102 38.683,103 8.875,104 17,105 40,106 0.291,107 0.655,108 0.81,109 0.83,110 0.83,111 0.83,112 3.19,113 0.99,114 -3.96,115 -3.91,116 -3.71,119 40.5,120 3,121 1,125 2,130 1,142 3,143 1,144 2,146 1,152 1,158 1,162 1,172 4,174 1,175 5,178 1,180 3,183 7,186 1,187 5,192 1,195 3,198 1,199 10,202 1,207 1,211 2,212 4,215 1,220 4,224 4,232 3,237 2,242 1,245 2,249 1,250 2,253 1,255 2,258 4,263 4,268 2,271 4,275 636,276 15.118,277 15.118,278 15.118,279 15.118,280 15.118,281 13.705,282 26.447,283 8.518,284 15.605,285 12.863,286 12.863,287 12.863,288 12.863,289 12.863,290 10.566,291 42.918,292 4.082,293 13.716,294 3.737,295 1.669,296 0.786,297 0.673,298 0.673,299 0.673,300 3.883,303 1,304 1,305 1,306 406,307 2.646,310 39,311 152.293,314 76.759,315 85.255,318 1.18,319 20.635,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.5,331 185,332 4.564,333 3.726,334 6.881,335 4.307,336 3.349,337 4.166,338 1.058,339 11.551,340 3.216,341 4.363,342 3.404,343 6.704,344 4.07,345 3.137,346 3.932,347 0.86,348 10.908,349 2.929,350 4.048,351 3.134,352 6.311,353 3.747,354 2.808,355 3.213,356 0.8,357 9.529,358 2.629,359 3.668,360 2.854,361 5.717,362 3.34,363 2.382,364 2.91,366 7.59,367 2.273,368 3.454,369 2.49,370 5.119,371 3.078,372 2.115,373 2.724,375 5.885,376 2.023,377 3.237,378 2.436,379 4.96,380 2.893,381 1.924,382 2.39,384 5.791,385 1.844,386 2.828,387 1.777,388 4.572,389 2.389,390 1.461,391 1.948,393 4.335,394 1.348,395 2.488,396 1.584,397 3.974,398 2.288,399 1.372,400 1.486,402 3.279,403 1.241,404 2.312,405 1.248,406 3.794,407 1.732,408 0.854,409 1.179,411 2.392,412 0.729,413 2.024,414 0.95,415 3.378,416 1.644,417 0.73,418 0.92,420 1.881,421 0.657,422 1.125,423 0.457,424 3.227,425 0.857,426 -0.105,427 -0.121,428 -0.262,429 -0.1,430 1.018,431 0.231,432 2.794,433 0.692,434 -0.274,435 -0.32,436 -0.817,437 -0.26,438 0.753,439 -0.085,440 2.606,441 0.532,442 -0.457,443 -0.529,445 -1.301,446 -0.443,447 0.69,448 -0.291,449 2.419,450 0.379,451 -0.55,452 -0.632,454 -1.4,455 -0.509,456 0.47,457 -0.543,458 2.277,459 0.121,460 -0.844,461 -1,463 -2.466,464 -0.811,465 11.2,466 0.487,467 0.831,468 0.036,469 28,470 1.217,471 12.5,472 0.543,473 15.5,474 0.674,475 22.122,476 0.962,477 24.8,478 0.59,479 17.76,480 0.772,481 5.01,482 0.218,483 5.917,484 0.257,485 0.164,486 0.045,487 0.348,493 0.783,494 1.296,495 0.729,496 0.982,497 0.622,498 0.931,499 0.834,500 1.101,501 0.674,502 0.853,503 0.528,504 0.759,505 1.174,506 1.15,507 0.994,508 1.025,509 1.004,510 1.067,511 0.752,512 1.039,513 1.031,514 1.065,515 0.729,516 0.907,517 1.527,518 0.811,519 1.406,520 0.998,521 2.01,522 0.991,523 1.015,524 1.374,525 1.686,526 1.618,527 0.698,528 1.332,529 1.219,530 0.949,531 1.232,532 1.074,533 1.275,534 1.018,535 1.039,536 0.938,537 0.798,538 0.902,539 1.336,540 1.098,541 6.5,542 0.025,543 3.111,544 2.257,545 1.832,546 0.837,547 0.507,548 0.405,549 0.286,550 0.172,551 5281,552 13069,553 2.104,554 45.2,555 3,556 7,559 1,560 2,561 6,564 1.661,565 1.93,566 3.04,567 -0.284,568 1,569 1,571 1,573 69.525,574 1.655,575 3.723,576 4.606,577 4.719,578 4.719,579 4.719,580 2.442,581 4.089,582 4.5,583 3.161,584 799.611,585 7.764,586 8718.44,587 1,588 1,590 1,591 226.477,592 1.688,593 4.43,594 0.25,595 0.006,596 0.078,597 0.058,598 0.051,599 0.029,600 0.02,601 0.018,602 0.015,603 0.014,604 0.539,605 0.5,606 1,607 0.636,608 104.991,609 -0.032,610 -0.155,611 0.08,612 -0.006,613 -0.064,614 0.017,615 0.117,616 -0.018,617 0.25,618 0.121,619 0.131,620 0.19,621 -0.112,622 -0.058,623 -0.064,624 -0.077,625 -0.142,626 -0.147,627 0.109,628 -0.066,629 0.115,630 0.017,631 0.159,632 0.11,633 -0.184,634 0.302,635 -0.194,636 0.085,637 -0.31,638 -0.065,639 -0.133,640 -0.308,641 -0.374,642 -0.363,643 -0.037,644 -0.305,645 -0.198,646 0.077,647 -0.237,648 -0.103,649 -0.088,650 -0.066,651 0.126,652 -0.066,653 -0.081,654 -0.092,655 0.053,656 -0.149,657 1.683,658 5.313,659 0.826,660 15.289,661 1.003,662 1.123,663 2.729,664 7.448,665 0.683,666 3.296,667 3.714,668 3.989,669 4.344,670 4.605,671 4.745,672 4.86,673 5.037,674 5.136,675 5.142,676 5.05,677 0.64,678 329.46,679 3.296,680 4.89,681 5.765,682 6.696,683 7.589,684 8.521,685 9.422,686 10.353,687 11.258,688 12.188,689 7.1,696 1,697 1,699 1,704 3,705 1,708 1,709 6,711 11,718 1,726 1,729 1,731 42,733 12,734 1,735 26,737 45,738 17,739 9,740 3,741 3,742 1,746 4,747 6,752 3,755 1,756 1,758 1,761 10,762 7,763 1,766 1,771 1,775 1,777 1,778 1,781 19,782 5,783 1,784 6,785 1,790 3,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,844 3,848 23,854 3,855 1,856 1,859 1,860 1,863 1,870 4.8,873 1,875 1,877 11.917,878 8.65,879 4.722,880 2.557,881 2.216,882 1.294,883 0.989,884 3.467,885 9.762,886 3.512,887 4.139,888 4.683,889 5.288,890 5.735,891 6.042,892 6.341,893 6.709,894 7.011,895 7.217,896 1,897 39,898 8.547,900 3.75,901 7.641,902 16.577,904 14.243,905 2.141,906 49.25,909 1,910 211.88,911 115.921,912 37.921,914 36.145,916 31.278,917 84.643,918 248.025,919 37.921,920 26.476,921 27.243,922 28.429,923 46.635,924 28.567,925 1.358,926 243.158,928 211.88,929 122.564,930 36.145,931 31.278,933 141.253,934 106.771,937 60.101,938 45.678,939 16.786,940 31.278,941 211.88,942 74.065,943 115.921,946 211.88,947 61.017,948 58.029,949 18.011,950 52.93,951 211.88,952 74.065,953 115.921,955 0.608,956 0.345,957 0.196,958 0.112,959 23,960 10,961 0.022,962 1,963 2,964 1.211,965 3.404,966 200.633,967 0.211,968 19,969 102.042,970 1,974 15.095,975 5.283,976 2.66,978 74.065,979 6.157,980 4.777,983 1.467,984 5.596,986 18.011,987 401.866,988 32.5,993 12.313,997 -0.016,999 42.105,1000 47.155,1001 0.307,1002 0.69,1003 0.854,1004 0.875,1005 0.875,1006 0.875,1007 4.818,1008 1.372,1009 5.826,1010 4.335,1011 4.394,1012 4.824,1013 1.737,1014 6.73,1015 4.275,1016 6.062,1017 0.854,1018 7.446,1019 3.279,1020 4.29,1021 4.82,1022 0.325,1023 7.928,1024 4.147,1025 7.41,1026 0.73,1027 9.167,1028 2.392,1029 6.133,1030 7.01,1031 1.622,1032 10.97,1033 5.909,1034 8.785,1035 -0.105,1036 10.946,1037 1.881,1038 6.77,1039 7.745,1040 0.268,1041 12.91,1042 6.511,1043 10.188,1044 -0.274,1045 12.76,1046 -0.262,1047 8.174,1048 9.482,1049 1.587,1050 15.535,1051 7.851,1052 11.61,1053 -0.457,1054 14.596,1055 -0.817,1056 9.122,1057 10.556,1058 0.188,1059 17.759,1060 8.758,1061 13.046,1062 -0.55,1063 16.45,1064 -1.301,1065 10.375,1066 12.111,1067 1.592,1068 20.248,1069 9.957,1070 3.349,1071 -0.844,1072 18.315,1073 -1.4,1074 11.456,1075 13.352,1076 0.125,1077 22.586,1078 10.994,1079 3.137,1080 11.551,1081 20.189,1082 -2.466,1083 12.656,1084 14.827,1085 1.624,1086 25.029,1087 12.147,1088 2.808,1089 10.908,1090 22.07,1091 4.166,1092 13.794,1093 16.15,1094 0.082,1095 27.415,1096 13.242,1097 2.382,1098 9.529,1099 23.956,1100 3.932,1101 14.979,1102 17.59,1103 1.676,1104 29.843,1105 14.383,1106 2.115,1107 7.59,1108 25.848,1109 3.213,1110 16.143,1111 18.955,1112 0.054,1113 32.25,1114 15.505,1115 1.924,1116 5.885,1117 27.743,1118 2.91,1119 17.326,1120 20.379,1121 1.742,1122 34.676,1123 16.646,1124 1.461,1125 5.791,1126 29.64,1127 2.724,1128 18.502,1129 21.767,1130 0.035,1131 37.093,1132 17.782,1133 5040,1134 8070,1135 17.107,1136 28.665,1137 40.969,1138 41.791,1139 41.578,1140 40.131,1141 40.261,1142 49.735,1143 5.437,1144 126.285,1145 37.776,1146 5.513,1147 5.726,1148 6.41,1149 5.449,1150 5.349,1151 7.166,1152 2.117,1153 18.892,1154 5.216,1155 11.774,1156 1.576,1157 1.607,1158 1.599,1159 1.544,1160 1.548,1161 1.913,1162 0.209,1163 4.857,1164 1.453,1165 4.039,1166 4.066,1167 4.276,1168 3.968,1169 7.429,1170 3.944,1171 3.907,1172 3.935,1173 3.889,1174 3.833,1175 4.9,1176 3.82,1177 3.584,1178 3.639,1179 3.595,1180 3.482,1181 4.73,1182 3.447,1183 3.446,1184 3.497,1185 3.346,1186 3.29,1187 4.343,1188 3.281,1189 3.138,1190 3.182,1191 3.079,1192 2.941,1193 4.284,1194 2.927,1195 3.086,1196 3.158,1197 2.899,1198 2.837,1199 3.81,1200 2.881,1201 2.91,1202 3.009,1203 2.785,1204 2.734,1205 3.671,1206 2.729,1207 2.874,1208 2.982,1209 2.722,1210 2.628,1211 3.51,1212 2.57,1213 0.176,1214 0.143,1215 0.265,1216 0.166,1217 0.129,1218 4.564,1219 0.16,1220 3.726,1221 0.041,1222 6.881,1223 0.444,1224 4.307,1225 0.124,1226 3.349,1227 4.166,1228 1.058,1229 11.551,1230 3.216,1231 1.933,1232 1.909,1233 2.038,1234 2.052,1235 1.262,1236 2.048,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.205,1242 1.991,1243 1.519,1244 1.469,1245 1.747,1246 1.713,1247 0.983,1248 1.732,1249 1.335,1250 1.311,1251 1.509,1252 1.495,1253 0.691,1254 1.512,1255 1.174,1256 1.132,1257 1.466,1258 1.379,1259 0.568,1260 1.389,1261 1.117,1262 1.037,1263 1.417,1264 1.332,1265 0.469,1266 1.36,1267 0.934,1268 0.822,1269 1.205,1270 1.239,1271 0.442,1272 1.308,1273 0.878,1274 0.804,1275 1.132,1276 1.143,1277 0.23,1278 1.146,1279 3.97,1281 5.361,1282 2.398,1283 6.938,1284 4.727,1285 8.605,1286 6.862,1287 10.32,1289 6.121,1295 2.126,1296 3.045,1297 5.742,1300 2.162,1301 -0.241,1305 26.895,1306 69.525,1307 156.364,1308 193.458,1309 198.213,1310 198.213,1311 198.213,1312 34.331,1313 7.546,1314 54.46,1315 82.7,1316 23,1317 12.695,1318 3.7,1319 2.907,1320 31.731,1321 70,1322 59,1323 0.23,1324 166.209,1325 284.67,1326 397.309,1327 18233,1329 16.19,1330 0.704,1331 0.621,1332 16.543,1333 14.289,1334 10.927,1335 0.42,1336 0.33,1337 7.728,1338 10.103,1339 7.342,1340 6.089,1341 11.336,1342 8.577,1343 11.142,1344 0.279,1345 0.193,1346 11.758,1347 7.736,1348 8.784,1349 0.166,1350 0.1,1351 9.674,1352 5.282,1353 8.085,1354 0.106,1355 0.054,1356 8.992,1357 4.123,1358 6.538,1359 0.066,1360 0.031,1361 7.508,1362 3.118,1363 0.347,1364 72.459,1365 0.242,1366 21.921,1367 0.673,1368 132,1369 359.955,1370 171.737,1371 366.27,1372 510.06,1373 344,1374 159,1375 371.425,1376 198.584,1377 391.418,1378 582.71,1379 367,1380 5.742}
{0 CHEMBL469035,1 1.748,2 8.043,3 4.412,4 19.463,5 94.93,6 9.833,7 0.423,8 3.809,9 3.902,10 3.67,11 3.465,12 4.835,13 3.404,14 4.394,15 4.544,16 4.178,17 3.912,18 5.377,19 3.839,20 4.662,21 4.821,22 4.246,23 4.086,24 5.672,25 3.965,26 4.791,27 5.034,28 4.185,29 4.043,30 5.745,31 3.881,32 4.486,33 4.659,34 4.177,35 3.853,36 5.6,37 3.716,38 4.263,39 4.42,40 4.157,41 3.766,42 5.202,43 3.579,44 4.18,45 4.356,46 3.716,47 3.582,48 5.192,49 3.47,50 4.269,51 4.463,52 3.613,53 3.541,54 5.318,55 3.403,56 0.019,57 0.555,58 5.079,59 3.886,60 3.933,61 4.607,62 0.174,63 1.003,64 15.589,65 7.216,66 14.959,67 8.506,68 0.302,69 1.261,70 26.646,71 10.078,72 28.749,73 11.186,74 0.374,75 1.438,76 45.197,77 13.445,78 38.426,79 15.339,80 0.528,81 1.098,82 25.074,83 8.436,84 50.373,85 8.166,86 0.166,87 0.857,88 40.805,89 9.194,90 11.057,91 8.952,92 0.18,93 0.728,94 21.748,95 6.369,96 18.815,97 7.135,98 0.27,99 0.741,100 15.222,101 6.892,102 34.656,103 8.331,104 17,105 40,106 0.31,107 0.649,108 0.793,109 0.832,110 0.832,111 0.832,112 3.19,113 1.069,114 -4.7,115 -4.61,116 -4.34,117 1,119 42.5,120 2,121 2,123 1,125 2,142 3,144 3,146 1,152 1,157 1,162 1,172 5,174 1,175 6,183 9,186 1,187 6,195 4,198 1,199 10,207 2,211 2,212 5,220 3,224 4,232 3,237 2,245 3,249 1,250 3,258 6,263 4,271 6,275 636,276 15.118,277 15.118,278 15.118,279 15.118,280 15.118,281 13.705,282 22.037,283 8.518,284 15.703,285 12.863,286 12.863,287 12.863,288 12.863,289 12.863,290 10.566,291 30.311,292 4.082,293 13.929,294 3.574,295 1.67,296 0.857,297 0.638,298 0.638,299 0.638,300 3.883,304 1,305 1,306 406,307 2.646,310 39,311 152.293,314 76.759,315 85.255,318 1.18,319 21.377,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.75,331 185,332 4.564,333 3.735,334 6.881,335 4.329,336 3.349,337 4.166,338 1.277,339 11.551,340 3.302,341 4.363,342 3.413,343 6.704,344 4.067,345 3.137,346 3.932,347 0.86,348 10.908,349 2.902,350 4.048,351 3.08,352 6.311,353 3.75,354 2.808,355 3.213,356 0.8,357 9.529,358 2.643,359 3.668,360 2.9,361 5.717,362 3.307,363 2.382,364 2.91,366 7.59,367 2.187,368 3.454,369 2.722,370 5.119,371 3.004,372 2.115,373 2.724,375 5.885,376 1.918,377 3.237,378 2.458,379 4.96,380 2.888,381 1.924,382 2.39,384 5.791,385 1.676,386 2.828,387 1.816,388 4.572,389 2.386,390 1.461,391 1.948,393 4.335,394 1.339,395 2.488,396 1.582,397 3.974,398 2.282,399 1.372,400 1.486,402 3.279,403 1.223,404 2.312,405 1.246,406 3.794,407 1.734,408 0.854,409 1.179,411 2.392,412 0.725,413 2.024,414 0.967,415 3.378,416 1.642,417 0.73,418 0.92,420 1.881,421 0.649,422 1.125,423 0.549,424 3.227,425 0.787,426 -0.105,427 -0.121,428 -0.262,429 -0.069,430 1.018,431 0.437,432 2.794,433 0.65,434 -0.274,435 -0.32,436 -0.817,437 -0.243,438 0.753,439 -0.061,440 2.606,441 0.567,442 -0.457,443 -0.529,445 -1.301,446 -0.451,447 0.69,448 -0.287,449 2.419,450 0.362,451 -0.55,452 -0.632,454 -1.4,455 -0.493,456 0.47,457 -0.399,458 2.277,459 0.071,460 -0.844,461 -1,463 -2.466,464 -0.65,465 12.133,466 0.528,467 0.831,468 0.036,469 27.5,470 1.196,471 12.5,472 0.543,473 15,474 0.652,475 24.63,476 1.071,477 23.867,478 0.597,479 15.252,480 0.663,481 4.49,482 0.195,483 6.437,484 0.28,485 0.22,486 0.041,487 0.321,493 0.696,494 1.199,495 0.494,496 0.807,497 0.564,498 0.843,499 0.856,500 1.007,501 0.523,502 0.728,503 0.577,504 0.714,505 1.098,506 1.18,507 0.861,508 1.009,509 1.068,510 1.098,511 0.761,512 1.031,513 0.652,514 0.951,515 0.719,516 0.832,517 1.527,518 0.893,519 0.854,520 0.939,521 2.098,522 0.958,523 0.802,524 1.311,525 1.412,526 1.528,527 0.643,528 1.263,529 1.234,530 0.851,531 1.208,532 0.968,533 1.38,534 1.021,535 1.056,536 0.98,537 0.594,538 0.841,539 1.397,540 1.1,541 6.5,542 0.025,543 3.111,544 2.257,545 1.832,546 0.838,547 0.507,548 0.405,549 0.286,550 0.172,551 5281,552 14995,553 2.104,554 42.5,555 6,556 7,560 4,564 1.661,565 1.93,566 3.04,567 -0.729,569 1,573 69.903,574 1.748,575 3.652,576 4.465,577 4.684,578 4.684,579 4.684,580 2.442,581 4.089,582 4.5,583 3.161,584 799.611,585 7.764,586 8718.44,588 1,590 1,591 212.877,592 1.688,593 4.43,594 0.25,595 0.006,596 0.078,597 0.058,598 0.051,599 0.029,600 0.02,601 0.018,602 0.015,603 0.014,604 0.539,605 0.33,606 1,607 0.636,608 104.991,609 -0.013,610 -0.141,611 0.011,612 -0.01,613 -0.03,614 0.009,615 0.027,616 0.045,617 0.071,618 0.123,619 0.059,620 0.179,621 -0.089,622 -0.153,623 -0.074,624 -0.114,625 -0.126,626 -0.196,627 0.106,628 -0.024,629 0.057,630 0.057,631 0.157,632 0.182,633 -0.16,634 0.259,635 -0.027,636 0.065,637 -0.34,638 -0.071,639 -0.036,640 -0.248,641 -0.046,642 -0.275,643 0.006,644 -0.237,645 -0.203,646 0.113,647 -0.12,648 -0.067,649 -0.098,650 -0.089,651 0.073,652 -0.136,653 0.022,654 -0.056,655 0.026,656 -0.16,657 1.442,658 5.417,659 0.826,660 15.289,661 1.006,662 1.112,663 3.465,664 12.007,665 0.725,666 3.296,667 3.714,668 3.989,669 4.344,670 4.605,671 4.745,672 4.86,673 5.037,674 5.136,675 5.142,676 5.05,677 0.672,678 393.33,679 3.296,680 4.89,681 5.765,682 6.696,683 7.589,684 8.521,685 9.422,686 10.353,687 11.258,688 12.188,689 5,697 1,699 1,704 3,705 1,708 1,709 6,711 11,716 1,726 1,729 1,730 1,731 40,733 12,734 1,735 26,736 1,737 43,738 17,739 9,740 3,741 3,742 1,746 4,747 6,752 2,753 1,754 1,755 2,758 2,761 10,762 7,766 1,771 1,775 1,778 1,781 17,782 4,784 6,785 2,790 2,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,843 1,844 2,848 23,854 4,856 1,859 1,860 1,863 1,869 1,870 5,873 1,875 1,877 11.917,878 8.043,879 4.722,880 2.468,881 2.216,882 1.294,883 0.995,884 3.766,885 9.762,886 3.512,887 4.139,888 4.683,889 5.288,890 5.735,891 6.042,892 6.341,893 6.709,894 7.011,895 7.217,896 1,897 39,898 8.555,900 3.766,901 7.63,902 16.657,904 14.47,905 2.13,906 49,909 1,910 200.109,911 109.929,912 65.864,914 36.145,916 31.278,917 124.605,918 236.254,919 19.91,920 17.65,921 11.767,922 28.429,923 47.064,924 28.437,925 1.358,926 231.386,927 45.954,928 200.109,929 98.561,930 36.145,931 31.278,932 45.954,933 200.109,934 36.145,937 35.799,938 45.976,939 16.786,940 77.232,941 200.109,942 56.055,943 155.883,946 200.109,947 63.849,948 49.203,949 45.954,950 52.93,951 200.109,952 56.055,953 155.883,955 0.608,956 0.345,957 0.196,958 0.112,959 23,960 10,961 0.023,962 1,963 2,964 1.211,965 3.404,966 200.633,967 0.211,968 19,969 102.042,970 1,974 15.584,975 5.557,976 2.824,978 56.055,979 5.981,980 4.802,983 1.515,984 5.549,987 412.046,988 32.5,993 12.417,997 0.225,999 40.233,1000 44.499,1001 0.328,1002 0.686,1003 0.839,1004 0.88,1005 0.88,1006 0.88,1007 4.818,1008 1.372,1009 5.826,1010 4.335,1011 4.394,1012 4.824,1013 1.903,1014 6.73,1015 4.255,1016 6.062,1017 0.854,1018 7.446,1019 3.279,1020 4.29,1021 4.82,1022 0.325,1023 7.928,1024 4.12,1025 7.41,1026 0.73,1027 9.167,1028 2.392,1029 6.133,1030 7.01,1031 2.065,1032 10.97,1033 5.909,1034 8.785,1035 -0.105,1036 10.946,1037 1.881,1038 6.77,1039 7.745,1040 0.268,1041 12.91,1042 6.529,1043 10.188,1044 -0.274,1045 12.76,1046 -0.262,1047 8.174,1048 9.482,1049 2.377,1050 15.535,1051 7.894,1052 11.61,1053 -0.457,1054 14.596,1055 -0.817,1056 9.122,1057 10.556,1058 0.188,1059 17.759,1060 8.829,1061 13.046,1062 -0.55,1063 16.45,1064 -1.301,1065 10.375,1066 12.111,1067 2.77,1068 20.248,1069 10.052,1070 3.349,1071 -0.844,1072 18.315,1073 -1.4,1074 11.456,1075 13.352,1076 0.125,1077 22.586,1078 11.12,1079 3.137,1080 11.551,1081 20.189,1082 -2.466,1083 12.656,1084 14.827,1085 3.207,1086 25.029,1087 12.299,1088 2.808,1089 10.908,1090 22.07,1091 4.166,1092 13.794,1093 16.15,1094 0.082,1095 27.415,1096 13.425,1097 2.382,1098 9.529,1099 23.956,1100 3.932,1101 14.979,1102 17.59,1103 3.668,1104 29.843,1105 14.594,1106 2.115,1107 7.59,1108 25.848,1109 3.213,1110 16.143,1111 18.955,1112 0.054,1113 32.25,1114 15.747,1115 1.924,1116 5.885,1117 27.743,1118 2.91,1119 17.326,1120 20.379,1121 4.142,1122 34.676,1123 16.917,1124 1.461,1125 5.791,1126 29.64,1127 2.724,1128 18.502,1129 21.767,1130 0.035,1131 37.093,1132 18.084,1133 5040,1134 8640,1135 17.107,1136 29.012,1137 40.969,1138 42.28,1139 41.578,1140 40.312,1141 40.261,1142 49.735,1143 5.875,1144 126.285,1145 37.127,1146 5.513,1147 5.735,1148 6.41,1149 5.47,1150 5.349,1151 7.166,1152 2.555,1153 18.892,1154 5.302,1155 11.774,1156 1.576,1157 1.626,1158 1.599,1159 1.55,1160 1.548,1161 1.913,1162 0.226,1163 4.857,1164 1.428,1165 4.042,1166 4.064,1167 6.88,1168 3.989,1169 7.427,1170 3.957,1171 3.907,1172 3.929,1173 4.276,1174 3.848,1175 4.9,1176 3.832,1177 3.579,1178 3.622,1179 3.815,1180 3.52,1181 4.725,1182 3.47,1183 3.422,1184 3.473,1185 3.609,1186 3.28,1187 4.336,1188 3.262,1189 3.181,1190 3.214,1191 3.245,1192 2.957,1193 4.215,1194 2.979,1195 2.942,1196 3.009,1197 3.091,1198 2.823,1199 3.806,1200 2.79,1201 2.874,1202 3.001,1203 2.812,1204 2.727,1205 3.506,1206 2.677,1207 2.79,1208 2.856,1209 2.745,1210 2.624,1211 3.467,1212 2.57,1213 0.176,1214 0.144,1215 0.265,1216 0.166,1217 0.129,1218 4.564,1219 0.16,1220 3.735,1221 0.049,1222 6.881,1223 0.444,1224 4.329,1225 0.127,1226 3.349,1227 4.166,1228 1.277,1229 11.551,1230 3.302,1231 1.907,1232 1.888,1233 2.048,1234 2.028,1235 1.375,1236 2.024,1237 1.883,1238 1.852,1239 1.974,1240 1.999,1241 1.18,1242 2.015,1243 1.482,1244 1.438,1245 1.681,1246 1.646,1247 0.926,1248 1.671,1249 1.336,1250 1.308,1251 1.526,1252 1.498,1253 0.693,1254 1.519,1255 1.183,1256 1.136,1257 1.417,1258 1.393,1259 0.584,1260 1.391,1261 0.972,1262 0.929,1263 1.36,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.167,1270 1.173,1271 0.39,1272 1.199,1273 0.836,1274 0.798,1275 0.963,1276 0.954,1277 0.195,1278 1.012,1279 3.97,1281 5.361,1282 2.398,1283 6.938,1284 4.727,1285 8.605,1286 6.862,1287 10.32,1288 3.519,1289 4.266,1295 2.832,1297 5.734,1300 2.16,1301 0.001,1305 26.899,1306 69.903,1307 146.064,1308 178.612,1309 187.367,1310 187.367,1311 187.367,1312 36.2,1313 7.546,1314 42.43,1315 70.67,1316 23,1317 12.695,1318 3.7,1319 2.907,1320 31.731,1321 70,1322 59,1323 0.23,1324 171.328,1325 292.95,1326 409.801,1327 18233,1328 2.5,1329 16.19,1330 0.704,1331 0.672,1332 17.543,1333 15.46,1334 10.927,1335 0.42,1336 0.356,1337 7.689,1338 9.593,1339 7.292,1340 5.996,1341 11.913,1342 9.267,1343 11.142,1344 0.279,1345 0.218,1346 12.574,1347 8.719,1348 8.784,1349 0.166,1350 0.111,1351 10.199,1352 5.894,1353 8.085,1354 0.106,1355 0.061,1356 9.431,1357 4.621,1358 6.538,1359 0.066,1360 0.036,1361 8.089,1362 3.603,1363 0.347,1364 80.45,1365 0.242,1366 21.921,1367 0.673,1368 132,1369 364.276,1370 235.11,1371 406.472,1372 549.66,1373 380,1374 159,1375 366.905,1376 224.572,1377 399.406,1378 594.85,1379 375,1380 5.705}
{0 CHEMBL469052,1 1.563,2 8.381,3 2.952,4 8.714,5 84.934,6 7.127,7 0.208,8 3.864,9 3.979,10 3.466,11 3.439,12 4.729,13 3.371,14 4.522,15 4.705,16 3.909,17 3.912,18 5.333,19 3.816,20 4.836,21 5.064,22 3.963,23 4.103,24 5.614,25 3.949,26 4.905,27 5.173,28 3.834,29 4.078,30 5.68,31 3.872,32 4.703,33 4.966,34 3.685,35 3.817,36 5.604,37 3.655,38 4.345,39 4.54,40 3.471,41 3.622,42 5.282,43 3.478,44 4.279,45 4.486,46 3.222,47 3.474,48 5.185,49 3.318,50 4.262,51 4.51,52 2.931,53 3.322,54 5.095,55 3.147,56 0.017,57 0.641,58 10.624,59 4.689,60 2.165,61 6.078,62 0.213,63 1.147,64 23.148,65 8.168,66 12.256,67 11.045,68 0.334,69 1.45,70 32.471,71 11.643,72 25.092,73 15.482,74 0.279,75 1.516,76 40.216,77 13.571,78 27.08,79 17.454,80 0.471,81 1.202,82 32.422,83 9.515,84 40.998,85 12.493,86 0.184,87 0.895,88 21.897,89 7.362,90 19.932,91 9.102,92 0.216,93 0.798,94 20.527,95 6.624,96 23.087,97 8.256,98 0.318,99 0.712,100 18.606,101 6.096,102 30.136,103 8.149,104 2,105 35,106 0.278,107 0.486,108 0.683,109 0.751,110 0.774,111 0.774,112 3.105,113 1.116,114 -3.82,115 -3.78,116 -3.59,119 37.2,121 7,123 1,125 4,146 1,152 1,157 1,162 1,172 8,174 1,175 4,183 11,186 1,187 3,195 9,198 1,199 7,207 3,211 2,212 7,220 2,224 4,232 2,237 3,245 1,249 1,250 3,263 2,275 473,276 14.483,277 14.483,278 14.483,279 14.483,280 14.483,281 13.821,282 17.733,283 8.529,284 14.938,285 11.877,286 11.877,287 11.877,288 11.877,289 11.877,290 10.724,291 23.036,292 4.064,293 12.639,294 3.863,295 2.691,296 1.581,297 1.198,298 1.07,299 1.07,300 3.806,303 1,304 1,305 1,306 394,307 2.345,310 38.762,311 164.354,314 71.955,318 1.351,319 19.197,320 1,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 45,331 176,332 4.576,333 3.755,334 7.264,335 4.428,336 3.436,337 4.139,338 1.277,339 12.957,340 3.415,341 4.208,342 3.205,343 6.492,344 3.91,345 3,346 3.339,347 0.86,348 10.176,349 2.745,350 3.76,351 3.138,352 6.016,353 3.532,354 2.59,355 2.938,356 0.8,357 8.531,358 2.412,359 3.302,360 2.627,361 5.12,362 2.989,363 1.994,364 2.431,366 5.882,367 1.973,368 2.84,369 2.23,370 4.397,371 2.617,372 1.69,373 1.882,375 4.252,376 1.602,377 2.609,378 1.625,379 4.031,380 2.541,381 1.591,382 1.61,384 3.373,385 1.451,386 2.322,387 1.427,388 3.732,389 2,390 1.069,391 1.233,393 2.654,394 1,395 2.144,396 1.256,397 3.652,398 1.952,399 1,400 1.062,402 2.278,403 0.946,404 2,405 1.193,406 3.497,407 1.905,408 1,409 1,411 2.23,412 0.883,413 2,414 1,415 3.254,416 1.696,417 0.8,418 1,420 2.136,421 0.696,422 1.042,423 0.573,424 3.247,425 0.909,426 -0.063,427 -0.067,428 -0.172,429 -0.06,430 1,431 0.044,432 3.071,433 0.719,434 -0.317,435 -0.376,436 -0.888,437 -0.323,438 0.435,439 -0.36,440 2.405,441 0.258,442 -0.678,443 -0.729,445 -1.569,446 -0.628,447 0.256,448 -0.442,449 2.163,450 0.101,451 -0.866,452 -0.928,454 -2.262,455 -0.826,456 0.081,457 -0.635,458 2,460 -1,461 -1,463 -2.347,464 -0.846,465 10.3,466 0.49,467 0.5,468 0.024,469 20,470 0.952,471 6,472 0.286,473 14,474 0.667,475 23.252,476 1.107,477 23.9,478 0.556,479 9.952,480 0.474,481 2.946,482 0.14,483 7.311,484 0.348,485 0.032,486 0.049,487 0.233,493 0.71,494 1.354,495 0.776,496 1.073,497 0.499,498 1.046,499 0.991,500 1.087,501 0.838,502 0.946,503 0.612,504 0.952,505 0.894,506 1.033,507 0.887,508 0.952,509 0.881,510 1.034,511 0.562,512 1.122,513 1.171,514 1.21,515 0.676,516 1.027,517 1.165,518 0.845,519 1.111,520 0.922,521 1.663,522 0.864,523 1.369,524 1.226,525 1.42,526 1.32,527 1.832,528 1.213,529 1.599,530 1.184,531 1.49,532 1.31,533 2.174,534 1.253,535 1.271,536 0.974,537 1.099,538 1.019,539 1.345,540 1.119,541 4.5,542 0.016,543 2.222,544 1.569,545 1.459,546 0.695,547 0.4,548 0.175,549 0.049,550 0.023,551 4421,552 9270,553 2.203,554 51.2,555 10,556 8,560 4,564 1.633,565 2.118,566 3.067,567 -0.75,568 1,569 1,571 1,573 67.222,574 1.563,575 2.735,576 3.845,577 4.228,578 4.356,579 4.356,580 2.547,581 3.726,582 4.363,583 3.157,584 662.892,585 7.484,586 6720.69,588 1,590 1,591 233.329,592 1.301,593 4.34,594 0.188,595 0.004,596 0.063,597 0.046,598 0.049,599 0.028,600 0.019,601 0.011,602 0.004,603 0.003,604 0.415,605 0.5,606 1,607 0.418,608 93.001,609 0.013,610 -0.144,611 0.098,612 0.001,613 0.039,614 0.025,615 -0.025,616 0.025,617 0.096,618 0.061,619 0.013,620 0.054,621 -0.013,622 -0.012,623 0.03,624 0.018,625 -0.031,626 -0.044,627 0.1,628 -0.126,629 -0.013,630 -0.099,631 0.106,632 -0.009,633 -0.001,634 0.166,636 0.076,637 -0.114,638 0.079,639 -0.19,640 -0.135,641 -0.252,642 -0.202,643 -0.189,644 -0.215,645 -0.271,646 -0.137,647 -0.357,648 -0.243,649 -0.249,650 -0.281,651 0.004,652 -0.061,653 -0.209,654 -0.129,655 0.008,656 -0.181,657 1.324,658 5.582,659 0.952,660 15.07,661 0.995,662 1.128,663 2.59,664 6.71,665 0.655,666 3.219,667 3.584,668 3.892,669 4.22,670 4.477,671 4.605,672 4.745,673 4.898,674 4.949,675 4.934,676 4.905,677 0.603,678 306.47,679 3.219,680 4.779,681 5.652,682 6.564,683 7.458,684 8.378,685 9.281,686 10.205,687 11.112,688 12.04,689 4.7,695 1,699 1,705 1,708 1,709 3,711 5,716 1,726 1,731 43,733 6,735 24,737 46,738 16,739 3,742 1,746 4,747 5,753 1,754 1,755 7,758 7,761 4,762 12,766 1,771 1,775 1,777 1,778 1,781 22,782 4,784 5,785 1,790 2,794 0.5,795 2,811 1,812 3,815 1,839 1,840 2,842 1,848 21,854 11,856 1,859 1,860 1,863 1,870 4.7,873 1,874 1,877 9.917,878 7.65,879 4.5,880 3.017,881 1.056,882 1.147,883 0.978,884 3.683,885 8.251,886 3.35,887 3.855,888 4.355,889 4.898,890 5.242,891 5.588,892 5.812,893 6.047,894 6.162,895 6.135,896 0.833,897 34,898 7.893,900 3.495,901 7.488,902 15.91,904 14.293,905 1.988,906 41.75,907 0.002,910 258.964,911 72.165,912 19.91,914 36.145,916 31.278,917 40.887,918 295.109,919 19.91,921 31.138,923 58.064,924 6.382,925 1.358,926 290.242,928 258.964,929 60.797,930 36.145,931 31.278,933 258.964,934 25.145,935 11,937 34.395,938 9.616,939 16.786,940 31.278,941 258.964,942 56.055,943 72.165,946 258.964,947 72.165,948 3.124,950 52.93,951 258.964,952 56.055,953 72.165,955 0.586,956 0.346,957 0.197,958 0.11,959 20,960 7,961 0.022,962 1,963 1,964 1.15,965 3.369,966 173.883,967 0.1,968 21,969 84.239,970 1,974 13.988,975 5.53,976 2.602,978 56.055,980 4.842,983 1.607,984 3.053,987 387.184,988 27.5,993 12.582,997 0.343,999 42.771,1000 48.487,1001 0.288,1002 0.504,1003 0.709,1004 0.779,1005 0.803,1006 0.803,1007 4.647,1008 1,1009 5.673,1010 2.654,1011 4.263,1012 4.538,1013 1.903,1014 6.567,1015 4.157,1016 5.823,1017 1,1018 7.28,1019 2.278,1020 4.007,1021 4.425,1022 0.325,1023 7.87,1024 3.904,1025 7.148,1026 0.8,1027 9.003,1028 2.23,1029 5.979,1030 6.598,1031 2.065,1032 10.928,1033 5.808,1034 8.508,1035 -0.063,1036 10.799,1037 2.136,1038 6.581,1039 7.351,1040 0.268,1041 13.055,1042 6.419,1043 9.908,1044 -0.317,1045 12.642,1046 -0.172,1047 8.047,1048 9.028,1049 2.377,1050 15.713,1051 7.845,1052 11.332,1053 -0.678,1054 14.517,1055 -0.888,1056 9.007,1057 10.148,1058 0.188,1059 18.114,1060 8.817,1061 12.774,1062 -0.866,1063 16.413,1064 -1.569,1065 10.298,1066 11.65,1067 2.77,1068 20.678,1069 10.088,1070 3.436,1071 -1,1072 18.325,1073 -2.262,1074 11.406,1075 12.931,1076 0.125,1077 23.174,1078 11.206,1079 3,1080 12.957,1081 20.249,1082 -2.347,1083 12.639,1084 14.371,1085 3.207,1086 25.722,1087 12.433,1088 2.59,1089 10.176,1090 22.181,1091 4.139,1092 13.809,1093 15.725,1094 0.082,1095 28.253,1096 13.611,1097 1.994,1098 8.531,1099 24.12,1100 3.339,1101 15.026,1102 17.146,1103 3.668,1104 30.801,1105 14.828,1106 1.69,1107 5.882,1108 26.065,1109 2.938,1110 16.223,1111 18.532,1112 0.054,1113 33.347,1114 16.031,1115 1.591,1116 4.252,1117 28.014,1118 2.431,1119 17.439,1120 19.948,1121 4.142,1122 35.9,1123 17.249,1124 1.069,1125 3.373,1126 29.968,1127 1.882,1128 18.65,1129 21.351,1130 0.035,1131 38.453,1132 18.464,1133 4132,1134 6110,1135 16.583,1136 28.182,1137 36.608,1138 37.934,1139 37.548,1140 36.224,1141 36.34,1142 41.271,1143 5.875,1144 108.937,1145 34.241,1146 5.576,1147 5.755,1148 7.066,1149 5.562,1150 5.436,1151 6.809,1152 2.555,1153 20.283,1154 5.415,1155 5.271,1156 1.525,1157 1.581,1158 1.565,1159 1.509,1160 1.514,1161 1.72,1162 0.245,1163 4.539,1164 1.427,1165 4.046,1166 4.075,1167 4.275,1168 3.993,1169 7.427,1170 3.96,1171 3.812,1172 3.864,1173 3.77,1174 3.711,1175 4.801,1176 3.676,1177 3.665,1178 3.707,1179 3.586,1180 3.49,1181 4.579,1182 3.495,1183 3.3,1184 3.344,1185 3.283,1186 3.184,1187 4.263,1188 3.147,1189 3.111,1190 3.206,1191 3.007,1192 2.941,1193 3.797,1194 2.91,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.6,1200 2.91,1201 3.093,1202 3.132,1203 2.866,1204 2.901,1205 3.474,1206 2.91,1207 2.825,1208 2.901,1209 2.678,1210 2.58,1211 3.474,1212 2.575,1213 0.191,1214 0.156,1215 0.303,1216 0.184,1217 0.143,1218 4.576,1219 0.172,1220 3.755,1221 0.053,1222 7.264,1223 0.54,1224 4.428,1225 0.142,1226 3.436,1227 4.139,1228 1.277,1229 12.957,1230 3.415,1231 1.963,1232 1.927,1233 2.139,1234 2.078,1235 1.56,1236 2.101,1237 1.708,1238 1.655,1239 1.911,1240 1.951,1241 1.199,1242 1.944,1243 1.608,1244 1.572,1245 1.787,1246 1.752,1247 1.119,1248 1.77,1249 1.202,1250 1.185,1251 1.513,1252 1.4,1253 0.825,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 1.153,1262 1.064,1263 1.36,1264 1.376,1265 0.596,1266 1.395,1267 1.065,1268 1.014,1269 1.266,1270 1.228,1271 0.571,1272 1.249,1273 0.931,1274 0.886,1275 1.12,1276 1.163,1277 0.368,1278 1.191,1279 3.892,1281 5.242,1282 2.398,1283 6.804,1284 4.727,1285 8.461,1286 6.862,1287 10.167,1295 11.414,1297 5.403,1300 2.271,1301 0.235,1305 25.928,1306 67.222,1307 117.612,1308 165.355,1309 181.82,1310 187.329,1311 187.329,1312 32.125,1313 7.195,1314 42.43,1315 70.67,1316 23,1317 12.547,1318 2.807,1319 2.17,1320 27.961,1321 63,1322 59,1323 0.231,1324 158.604,1325 275.19,1326 378.754,1327 11399,1329 14.286,1330 0.68,1331 0.629,1332 14.64,1333 13.214,1334 10.258,1335 0.427,1336 0.372,1337 8.089,1338 9.475,1339 7.864,1340 6.392,1341 10.666,1342 8.931,1343 9.5,1344 0.271,1345 0.22,1346 10.115,1347 7.687,1348 8.198,1349 0.171,1350 0.134,1351 9.103,1352 6.413,1353 7.308,1354 0.109,1355 0.077,1356 8.196,1357 5.132,1358 5.976,1359 0.069,1360 0.046,1361 6.849,1362 4.011,1363 0.349,1364 68.188,1365 0.246,1366 20.452,1367 0.671,1368 118,1369 295.622,1370 154.242,1371 298.171,1372 408.79,1373 282,1374 142,1375 279.649,1376 177.811,1377 296.702,1378 445.2,1379 280,1380 5.721}
{0 CHEMBL469057,1 1.606,2 7.111,3 2.338,4 5.466,5 72.413,6 8.074,7 0.55,8 3.564,9 3.667,10 3.278,11 3.242,12 4.64,13 3.17,14 4.112,15 4.273,16 3.727,17 3.67,18 5.111,19 3.581,20 4.362,21 4.527,22 3.759,23 3.806,24 5.394,25 3.669,26 4.538,27 4.817,28 3.604,29 3.709,30 5.491,31 3.521,32 4.043,33 4.223,34 3.32,35 3.361,36 5.23,37 3.239,38 3.711,39 3.846,40 2.946,41 3.2,42 4.742,43 3.049,44 3.707,45 3.898,46 2.779,47 3.018,48 4.799,49 2.912,50 3.767,51 4.022,52 2.432,53 2.871,54 4.785,55 2.689,56 0.006,57 0.451,58 6.269,59 3.158,60 4.209,61 3.907,62 0.064,63 0.784,64 13.439,65 5.607,66 11.902,67 7.029,68 0.117,69 0.972,70 17.518,71 7.379,72 22.363,73 8.87,74 0.229,75 1.123,76 30.952,77 10.527,78 34.538,79 12.669,80 0.294,81 0.719,82 15.799,83 4.836,84 40.819,85 5.016,86 0.032,87 0.513,88 12.737,89 4.804,90 5.832,91 5.215,92 0.055,93 0.453,94 8.017,95 3.575,96 16.308,97 4.671,98 0.138,99 0.488,100 9.831,101 3.785,102 26.029,103 5.15,104 10,105 30,106 0.301,107 0.637,108 0.74,109 0.764,110 0.764,111 0.764,112 2.962,113 1.02,114 -3.05,115 -3.05,116 -2.94,119 43.8,120 2,121 2,123 1,142 2,143 1,145 2,146 1,152 1,157 1,161 1,172 6,175 6,183 8,187 6,195 4,198 1,199 6,207 2,211 1,212 2,220 6,224 2,232 6,237 1,245 4,249 1,250 2,263 2,275 286,276 11.809,277 11.809,278 11.809,279 11.809,280 11.809,281 10.435,282 7.279,283 6.819,284 12.061,285 9.908,286 9.908,287 9.908,288 9.908,289 9.908,290 7.786,291 6.257,292 3.288,293 10.346,294 3.394,295 1.601,296 1.047,297 0.922,298 0.922,299 0.922,300 3.633,303 1,304 1,305 1,306 276,307 2.345,310 32.45,311 93.094,314 62.812,318 1.123,319 15.98,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 38,331 128,332 4.554,333 3.731,334 6.873,335 4.327,336 3.342,337 4.19,338 1.277,339 11.524,340 3.303,341 4.171,342 3.08,343 6.399,344 3.887,345 2.948,346 3.555,348 9.895,349 2.756,350 3.873,351 2.93,352 5.997,353 3.55,354 2.563,355 3.09,357 8.459,358 2.522,359 3.4,360 2.468,361 5.12,362 2.998,363 1.993,364 2.651,366 5.882,367 1.991,368 3.085,369 1.735,370 4.389,371 2.603,372 1.676,373 2.279,375 4.23,376 1.539,377 2.534,378 1.294,379 3.798,380 1.984,381 1.07,382 1.548,384 2.669,385 0.983,386 2.5,387 1.019,388 3.498,389 1.963,390 1,391 1.5,393 2.276,394 0.94,395 2.291,396 1,397 3.247,398 1.692,399 0.795,400 1.136,402 2.136,403 0.691,404 1.034,405 0.549,406 3.223,407 0.742,408 -0.243,409 -0.284,411 -0.748,412 -0.234,413 0.787,414 -0.087,415 2.794,416 0.572,417 -0.456,418 -0.528,420 -1.301,421 -0.465,422 0.712,423 -0.653,424 2.404,425 0.28,426 -0.68,427 -0.927,428 -1.585,429 -0.653,430 0.5,431 -0.988,432 2,434 -1,435 -1,436 -2.347,437 -0.946,438 0.179,439 -1,440 2,441 -0.049,442 -1,443 -1.417,445 -3,446 -1,447 0.001,448 -1,449 1.659,450 -0.194,451 -1.172,452 -1.5,454 -3.641,455 -1.11,457 -1.301,458 1.555,459 -0.439,460 -1.377,461 -1.839,463 -4.459,464 -1.226,465 8.967,466 0.498,467 0.622,468 0.035,469 22.75,470 1.264,471 11.5,472 0.639,473 11.25,474 0.625,475 15.353,476 0.853,477 18.633,478 0.582,479 12.454,480 0.692,481 3.913,482 0.217,483 4.637,484 0.258,485 0.149,486 0.056,487 0.279,493 0.579,494 1.1,495 0.71,496 0.882,497 0.542,498 0.883,499 0.648,500 0.963,501 0.691,502 0.805,503 0.561,504 0.758,505 1.008,506 1.196,507 1.007,508 1.143,509 1.088,510 1.221,511 0.705,512 0.888,513 1.037,514 0.995,515 0.663,516 0.769,517 2.594,518 0.729,519 1.487,520 0.913,521 2.742,522 0.973,523 0.81,524 1.512,525 1.967,526 1.928,527 0.703,528 1.528,529 1.168,530 1.128,531 0.752,532 0.989,533 1.389,534 1.187,535 0.943,536 1.066,537 0.822,538 0.951,539 1.123,540 1.228,541 5,543 2.222,544 1.694,545 1.237,546 0.612,547 0.291,548 0.191,549 0.094,550 0.031,551 2647,552 6881,553 2.073,554 43.8,555 6,556 2,558 2,560 4,564 1.588,565 1.912,566 2.854,567 -0.763,569 1,570 1,571 1,573 51.394,574 1.606,575 3.399,576 3.953,577 4.078,578 4.078,579 4.078,580 2.288,581 3.725,582 4.143,583 2.947,584 450.853,585 7.04,586 4111.1,587 1,588 1,590 1,591 160,592 1.676,593 4.078,594 0.25,596 0.074,597 0.063,598 0.052,599 0.036,600 0.021,601 0.016,602 0.013,603 0.016,604 0.54,605 0.83,606 1,607 0.662,608 74.776,609 0.005,610 -0.071,611 0.073,612 0.036,613 -0.02,614 0.03,615 0.054,616 0.056,617 0.216,618 0.159,619 0.052,620 0.191,621 -0.082,622 -0.208,623 -0.094,624 -0.189,625 -0.135,626 -0.288,627 0.211,628 0.051,629 0.192,630 0.125,631 0.219,632 0.289,633 -0.572,634 0.374,635 -0.339,636 0.103,637 -0.536,638 -0.107,639 -0.101,640 -0.498,641 -0.645,642 -0.68,643 0.035,644 -0.522,645 -0.094,646 -0.272,647 -0.143,648 -0.224,649 -0.056,650 -0.262,651 0.074,652 -0.189,653 -0.141,654 -0.183,655 -0.042,656 -0.283,657 1.431,658 5.104,659 0.833,660 10.778,661 0.997,662 1.113,663 1.822,664 3.319,665 0.709,666 3.045,667 3.434,668 3.664,669 3.989,670 4.19,671 4.304,672 4.344,673 4.431,674 4.369,675 4.174,676 4.349,677 0.66,678 258.37,679 3.045,680 4.615,681 5.468,682 6.385,683 7.259,684 8.181,685 9.065,686 9.987,687 10.877,688 11.8,689 6.3,699 2,704 4,705 2,708 1,709 4,711 11,716 1,731 32,733 12,735 20,737 34,738 14,739 8,742 1,746 3,747 4,752 2,753 1,754 1,755 2,758 2,761 9,762 5,766 1,771 1,775 1,777 1,778 1,781 14,782 3,784 4,785 1,790 2,794 0.667,795 1,805 1,811 1,812 2,815 1,840 2,842 1,844 2,848 18,854 2,860 1,863 1,870 3.1,873 1,877 9.417,878 6.567,879 3.75,880 1.935,881 2.122,882 1.323,883 0.972,884 2.636,885 8.689,886 3.314,887 3.927,888 4.473,889 5.083,890 5.512,891 5.836,892 6.17,893 6.48,894 6.732,895 6.819,896 0.8,897 27,898 6.674,900 2.895,901 7.69,902 12.914,904 11.034,905 2.19,906 39.417,907 0.002,910 164.795,911 104.408,912 33.571,914 25.145,916 31.278,917 73.131,918 189.94,919 33.571,920 17.65,921 5.069,922 18.952,923 88.321,924 24.037,925 1.358,926 172.531,928 164.795,929 106.702,930 25.145,931 31.278,933 164.795,934 25.145,937 44.501,938 28.63,939 33.571,940 31.278,941 164.795,942 58.716,943 104.408,946 164.795,947 49.711,948 54.698,950 58.716,951 164.795,952 58.716,953 104.408,955 0.6,956 0.332,957 0.185,958 0.102,959 17,960 7,961 0.029,962 1,963 1,964 1.133,965 2.993,966 135.309,967 0.133,968 15,969 69.059,970 1,974 11.675,975 4.064,976 2.163,978 58.716,979 7.364,980 8.638,983 1.509,984 3.776,987 327.92,988 26.5,993 12.104,997 0.235,999 31.909,1000 35.617,1001 0.321,1002 0.68,1003 0.791,1004 0.816,1005 0.816,1006 0.816,1007 4.582,1008 0.795,1009 5.525,1010 2.276,1011 4.111,1012 4.61,1013 1.45,1014 6.412,1015 4.034,1016 5.826,1017 -0.243,1018 7.135,1019 2.136,1020 4.007,1021 4.511,1023 7.644,1024 3.943,1025 7.165,1026 -0.456,1027 8.852,1028 -0.748,1029 5.844,1030 6.791,1031 1.845,1032 10.646,1033 5.717,1034 8.535,1035 -0.68,1036 10.63,1037 -1.301,1038 6.494,1039 7.454,1041 12.61,1042 6.371,1043 9.934,1044 -1,1045 12.444,1046 -1.585,1047 7.895,1048 9.257,1049 2.271,1050 15.207,1051 7.73,1052 11.352,1053 -1,1054 14.282,1055 -2.347,1056 8.852,1057 10.284,1059 17.439,1060 8.684,1061 12.786,1062 -1.172,1063 16.135,1064 -3,1065 10.103,1066 11.881,1067 2.72,1068 19.914,1069 9.909,1070 3.342,1071 -1.377,1072 17.999,1073 -3.641,1074 11.189,1075 13.097,1077 22.255,1078 10.989,1079 2.948,1080 11.524,1081 19.871,1082 -4.459,1083 12.391,1084 14.599,1085 3.184,1086 24.692,1087 12.174,1088 2.563,1089 9.895,1090 21.75,1091 4.19,1092 13.533,1093 15.913,1095 27.08,1096 13.309,1097 1.993,1098 8.459,1099 23.634,1100 3.555,1101 14.721,1102 17.372,1103 3.658,1104 29.508,1105 14.486,1106 1.676,1107 5.882,1108 25.522,1109 3.09,1110 15.889,1111 18.739,1113 31.919,1114 15.647,1115 1.07,1116 4.23,1117 27.414,1118 2.651,1119 17.075,1120 20.179,1121 4.138,1122 34.348,1123 16.826,1124 1,1125 2.669,1126 29.309,1127 2.279,1128 18.256,1129 21.574,1131 36.771,1132 18,1133 2611,1134 4318,1135 13.118,1136 22.682,1137 31.613,1138 32.227,1139 31.087,1140 30.646,1141 30.774,1142 39.898,1143 2.555,1144 94.141,1145 29.448,1146 5.498,1147 5.731,1148 6.675,1149 5.442,1150 5.342,1151 7.19,1152 2.555,1153 18.85,1154 5.303,1155 8.377,1156 1.581,1157 1.611,1158 1.554,1159 1.532,1160 1.539,1161 1.995,1162 0.128,1163 4.707,1164 1.472,1165 4.032,1166 4.051,1167 4.282,1168 4.004,1169 7.427,1170 3.963,1171 3.819,1172 3.861,1173 3.748,1174 3.721,1175 4.944,1176 3.721,1177 3.507,1178 3.549,1179 3.581,1180 3.45,1181 4.698,1182 3.397,1183 3.179,1184 3.212,1185 3.095,1186 2.958,1187 4.212,1188 2.98,1189 2.874,1190 3.009,1191 2.782,1192 2.735,1193 3.711,1194 2.715,1195 2.854,1196 2.925,1197 2.687,1198 2.705,1199 3.674,1200 2.669,1201 2.84,1202 2.921,1203 2.579,1204 2.618,1205 3.467,1206 2.57,1207 2.578,1208 2.663,1209 2.499,1210 2.41,1211 3.35,1212 2.37,1213 0.228,1214 0.187,1215 0.344,1216 0.216,1217 0.167,1218 4.554,1219 0.209,1220 3.731,1221 0.064,1222 6.873,1223 0.576,1224 4.327,1225 0.165,1226 3.342,1227 4.19,1228 1.277,1229 11.524,1230 3.303,1231 1.883,1232 1.852,1233 2.048,1234 2.004,1235 1.375,1236 2.021,1237 1.84,1238 1.81,1239 1.93,1240 1.949,1241 0.995,1242 1.953,1243 1.338,1244 1.317,1245 1.526,1246 1.498,1247 0.689,1248 1.519,1249 1.182,1250 1.135,1251 1.417,1252 1.376,1253 0.577,1254 1.374,1255 0.952,1256 0.915,1257 1.357,1258 1.239,1259 0.469,1260 1.308,1261 0.934,1262 0.821,1263 1.181,1264 1.09,1265 0.302,1266 1.137,1267 0.886,1268 0.804,1269 1.013,1270 1.062,1271 0.218,1272 1.107,1273 0.605,1274 0.513,1275 0.867,1276 0.85,1277 0.013,1278 0.895,1279 3.714,1281 5.081,1282 2.398,1283 6.635,1284 4.727,1285 8.274,1286 6.862,1287 9.96,1289 4.249,1295 1.508,1301 0.035,1305 21.106,1306 51.394,1307 108.781,1308 126.49,1309 130.49,1310 130.49,1311 130.49,1312 27.376,1313 6.567,1314 42.85,1315 71.09,1316 17,1317 12.313,1318 3.7,1319 2.907,1320 25.684,1321 49,1322 42,1323 0.284,1324 134.034,1325 225.34,1326 318.804,1327 5033,1329 12.751,1330 0.708,1331 0.625,1332 13.104,1333 11.251,1334 8.55,1335 0.428,1336 0.34,1337 6.01,1338 7.921,1339 5.67,1340 4.737,1341 8.959,1342 6.801,1343 8.603,1344 0.287,1345 0.216,1346 9.219,1347 6.471,1348 6.523,1349 0.172,1350 0.114,1351 7.428,1352 4.351,1353 5.94,1354 0.112,1355 0.063,1356 6.828,1357 3.363,1358 4.445,1359 0.068,1360 0.039,1361 5.367,1362 2.531,1363 0.425,1364 56.871,1365 0.276,1366 17.686,1367 0.842,1368 100,1369 265.886,1370 131.724,1371 282.756,1372 386.68,1373 264,1374 118,1375 267.309,1376 149.544,1377 291.241,1378 427.16,1379 272,1380 4.693}
{0 CHEMBL469058,1 1.518,2 7.111,3 3.185,4 10.141,5 76,6 6.959,7 0.25,8 3.716,9 3.843,10 3.303,11 3.314,12 4.599,13 3.225,14 4.35,15 4.553,16 3.767,17 3.771,18 5.158,19 3.659,20 4.65,21 4.876,22 3.796,23 3.937,24 5.486,25 3.767,26 4.772,27 5.075,28 3.647,29 3.849,30 5.591,31 3.626,32 4.286,33 4.506,34 3.36,35 3.507,36 5.311,37 3.34,38 3.969,39 4.135,40 3.014,41 3.368,42 4.783,43 3.182,44 4.072,45 4.305,46 2.84,47 3.252,48 4.922,49 3.105,50 4.148,51 4.422,52 2.492,53 3.216,54 4.882,55 2.975,56 0.028,57 0.568,58 9.599,59 4.111,60 3.802,61 5.485,62 0.156,63 1.003,64 20.143,65 7.033,66 9.244,67 9.827,68 0.201,69 1.245,70 27.418,71 9.809,72 21.623,73 13.122,74 0.304,75 1.28,76 36.949,77 11.572,78 36.44,79 14.667,80 0.35,81 0.853,82 22.499,83 6.218,84 38.22,85 7.715,86 0.092,87 0.676,88 17.761,89 6.027,90 5.786,91 7.134,92 0.153,93 0.624,94 13.434,95 4.857,96 15.53,97 6.853,98 0.123,99 0.623,100 14.711,101 5.822,102 17.295,103 8.068,104 10,105 30,106 0.279,107 0.494,108 0.708,109 0.754,110 0.754,111 0.754,112 2.962,113 1.147,114 -4.12,115 -4.07,116 -3.85,119 36.8,120 2,121 5,123 1,125 2,146 1,152 1,157 1,162 1,172 6,174 1,175 6,183 7,187 4,195 2,198 1,199 9,207 3,211 1,212 3,220 3,224 2,232 2,237 2,245 5,250 1,258 6,271 2,275 286,276 11.809,277 11.809,278 11.809,279 11.809,280 11.809,281 11.148,282 16.957,283 6.819,284 12.105,285 9.908,286 9.908,287 9.908,288 9.908,289 9.908,290 8.755,291 21.495,292 3.288,293 10.448,294 3.73,295 2.558,296 1.395,297 1.145,298 1.145,299 1.145,300 3.633,303 1,304 1,305 1,306 276,307 2.345,310 32.45,311 93.094,314 62.812,318 1.123,319 15.136,320 1,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 38,331 128,332 4.542,333 3.733,334 6.873,335 4.326,336 3.342,337 4.136,338 1.277,339 11.524,340 3.302,341 4.103,342 3.123,343 6.399,344 3.861,345 2.948,346 3.233,347 0.8,348 9.895,349 2.693,350 3.729,351 3.077,352 5.997,353 3.514,354 2.563,355 2.878,357 8.459,358 2.418,359 3.302,360 2.57,361 5.12,362 2.997,363 1.993,364 2.431,366 5.882,367 1.988,368 2.833,369 1.773,370 4.389,371 2.635,372 1.676,373 1.874,375 4.23,376 1.596,377 2.334,378 1.316,379 3.798,380 1.984,381 1.07,382 1.242,384 2.669,385 0.983,386 2.144,387 1.11,388 3.498,389 1.963,390 1,391 1.063,393 2.276,394 0.94,395 2,396 1.077,397 3.247,398 1.691,399 0.795,400 1,402 2.136,403 0.69,404 1.029,405 0.549,406 3.223,407 0.74,408 -0.243,409 -0.28,411 -0.748,412 -0.234,413 0.755,414 -0.074,415 2.794,416 0.572,417 -0.456,418 -0.526,420 -1.301,421 -0.464,422 0.427,423 -0.573,424 2.404,425 0.281,426 -0.68,427 -0.729,428 -1.585,429 -0.651,430 0.126,431 -0.784,432 2,434 -1,435 -1,436 -2.347,437 -0.946,439 -0.98,440 2,441 -0.049,442 -1,443 -1,445 -3,446 -1,448 -1,449 1.659,450 -0.195,451 -1.172,452 -1.415,454 -3.641,455 -1.11,456 -0.08,457 -1.26,458 1.555,459 -0.462,460 -1.377,461 -1.572,463 -4.459,464 -1.215,465 8.967,466 0.498,467 0.622,468 0.035,469 17.5,470 0.972,471 6,472 0.333,473 11.5,474 0.639,475 19.617,476 1.09,477 20.433,478 0.538,479 8.19,480 0.455,481 2.448,482 0.136,483 6.102,484 0.339,485 0.149,486 0.056,487 0.268,493 0.641,494 1.352,495 0.804,496 1.048,497 0.522,498 1.063,499 0.672,500 1.065,501 0.744,502 0.906,503 0.484,504 0.885,505 0.968,506 1.212,507 0.932,508 1.081,509 0.955,510 1.151,511 0.799,512 0.929,513 1.113,514 1.026,515 0.676,516 0.791,517 2.496,518 0.866,519 1.632,520 1.016,521 2.627,522 1.01,523 1.081,524 1.602,525 2.195,526 2.028,527 0.797,528 1.607,529 1.672,530 0.928,531 0.906,532 0.89,533 1.817,534 1.145,535 1.042,536 1.043,537 0.836,538 1.01,539 1.407,540 1.246,541 5,543 2.222,544 1.694,545 1.237,546 0.612,547 0.291,548 0.191,549 0.094,550 0.031,551 2647,552 5192,553 2.073,554 52.6,555 8,556 4,560 4,561 4,564 1.588,565 1.912,566 2.854,567 -0.763,569 1,571 1,573 57.68,574 1.518,575 2.69,576 3.853,577 4.103,578 4.103,579 4.103,580 2.288,581 3.725,582 4.143,583 2.947,584 450.853,585 7.04,586 4111.1,587 1,588 1,589 1,590 1,591 199.421,592 1.676,593 4.078,594 0.25,596 0.074,597 0.063,598 0.052,599 0.036,600 0.021,601 0.016,602 0.013,603 0.016,604 0.54,605 0.83,606 1,607 0.662,608 74.776,609 0.028,610 -0.142,611 0.092,612 0.016,613 0.001,614 0.021,615 0.131,616 0.051,617 0.202,618 0.1,619 0.078,620 0.134,621 -0.026,622 -0.175,623 -0.002,624 -0.109,625 -0.059,626 -0.162,627 0.153,628 0.02,629 0.106,630 0.06,631 0.184,632 0.179,633 -0.434,634 0.274,635 -0.313,636 0.072,637 -0.394,638 -0.093,639 -0.212,640 -0.389,641 -0.672,642 -0.627,643 -0.08,644 -0.511,645 -0.288,646 0.017,647 -0.237,648 -0.114,649 -0.177,650 -0.218,651 -0.114,652 -0.219,653 -0.184,654 -0.212,655 -0.132,656 -0.293,657 1.373,658 5.149,659 0.833,660 10.778,661 0.988,662 1.128,663 2.893,664 8.367,665 0.657,666 3.045,667 3.434,668 3.664,669 3.989,670 4.19,671 4.304,672 4.344,673 4.431,674 4.369,675 4.174,676 4.349,677 0.597,678 264.43,679 3.045,680 4.615,681 5.468,682 6.385,683 7.259,684 8.181,685 9.065,686 9.987,687 10.877,688 11.8,689 5.3,695 1,699 1,705 1,708 1,709 3,711 5,716 1,726 1,731 38,733 6,735 20,737 40,738 14,739 3,742 1,746 3,747 4,752 2,753 1,754 1,755 5,758 5,761 4,762 10,766 1,771 1,775 1,777 1,778 1,781 20,782 3,784 4,785 1,790 2,794 0.667,795 1,811 1,812 2,815 1,840 2,842 1,844 2,848 18,854 7,859 1,860 1,863 1,870 2.6,873 1,877 9.417,878 7.483,879 3.75,880 2.6,881 1.085,882 1.165,883 0.956,884 3.11,885 7.652,886 3.199,887 3.744,888 4.218,889 4.788,890 5.095,891 5.435,892 5.565,893 5.703,894 5.686,895 5.369,896 0.8,897 27,898 6.746,900 2.93,901 7.514,902 13.523,904 11.891,905 2.014,906 36.25,907 0.004,910 235.422,911 75.562,912 19.91,914 25.145,916 31.278,917 44.284,918 260.567,919 19.91,920 17.65,921 16.884,923 47.064,924 6.382,925 1.358,926 266.7,928 235.422,929 64.194,930 25.145,931 31.278,933 188.338,934 72.229,937 37.792,938 9.616,939 16.786,940 31.278,941 235.422,942 45.055,943 75.562,946 235.422,947 57.911,948 20.775,950 41.93,951 235.422,952 45.055,953 75.562,955 0.6,956 0.332,957 0.185,958 0.102,959 17,960 7,961 0.025,962 1,963 1,964 1.133,965 2.993,966 135.309,967 0.133,968 15,969 69.059,970 1,974 12.437,975 4.501,976 2.442,978 45.055,980 4.744,983 1.616,984 3.044,987 356.038,988 23.5,993 12.149,997 0.294,999 37.56,1000 42.863,1001 0.289,1002 0.513,1003 0.734,1004 0.782,1005 0.782,1006 0.782,1007 4.503,1008 0.795,1009 5.525,1010 2.276,1011 4.111,1012 4.425,1013 1.653,1014 6.412,1015 4.015,1016 5.717,1017 -0.243,1018 7.135,1019 2.136,1020 4.007,1021 4.425,1022 0.325,1023 7.644,1024 3.904,1025 7.054,1026 -0.456,1027 8.852,1028 -0.748,1029 5.844,1030 6.528,1031 1.915,1032 10.646,1033 5.673,1034 8.42,1035 -0.68,1036 10.63,1037 -1.301,1038 6.494,1039 7.312,1040 0.268,1041 12.61,1042 6.316,1043 9.819,1044 -1,1045 12.444,1046 -1.585,1047 7.895,1048 8.973,1049 2.299,1050 15.207,1051 7.674,1052 11.238,1053 -1,1054 14.282,1055 -2.347,1056 8.852,1057 10.101,1058 0.188,1059 17.439,1060 8.627,1061 12.672,1062 -1.172,1063 16.135,1064 -3,1065 10.103,1066 11.603,1067 2.732,1068 19.914,1069 9.853,1070 3.342,1071 -1.377,1072 17.999,1073 -3.641,1074 11.189,1075 12.887,1076 0.125,1077 22.255,1078 10.936,1079 2.948,1080 11.524,1081 19.871,1082 -4.459,1083 12.391,1084 14.331,1085 3.189,1086 24.692,1087 12.124,1088 2.563,1089 9.895,1090 21.75,1091 4.136,1092 13.533,1093 15.687,1094 0.082,1095 27.08,1096 13.264,1097 1.993,1098 8.459,1099 23.634,1100 3.233,1101 14.721,1102 17.111,1103 3.66,1104 29.508,1105 14.444,1106 1.676,1107 5.882,1108 25.522,1109 2.878,1110 15.889,1111 18.5,1112 0.054,1113 31.919,1114 15.61,1115 1.07,1116 4.23,1117 27.414,1118 2.431,1119 17.075,1120 19.918,1121 4.139,1122 34.348,1123 16.792,1124 1,1125 2.669,1126 29.309,1127 1.874,1128 18.256,1129 21.322,1130 0.035,1131 36.771,1132 17.97,1133 2611,1134 3776,1135 13.118,1136 24.966,1137 31.174,1138 32.193,1139 31.087,1140 30.664,1141 30.774,1142 35.716,1143 4.155,1144 94.141,1145 29.218,1146 5.542,1147 5.626,1148 6.675,1149 5.456,1150 5.342,1151 6.805,1152 2.555,1153 18.85,1154 5.302,1155 8.377,1156 1.559,1157 1.61,1158 1.554,1159 1.533,1160 1.539,1161 1.786,1162 0.208,1163 4.707,1164 1.461,1165 4.02,1166 4.048,1167 4.273,1168 3.972,1169 7.427,1170 3.932,1171 3.805,1172 3.867,1173 3.677,1174 3.665,1175 4.788,1176 3.656,1177 3.532,1178 3.577,1179 3.572,1180 3.482,1181 4.267,1182 3.423,1183 3.194,1184 3.232,1185 3.102,1186 2.971,1187 4.17,1188 2.992,1189 3.111,1190 3.206,1191 2.866,1192 2.941,1193 3.514,1194 2.91,1195 2.984,1196 3.077,1197 2.813,1198 2.778,1199 3.474,1200 2.767,1201 2.874,1202 3.009,1203 2.719,1204 2.618,1205 3.467,1206 2.57,1207 2.712,1208 2.811,1209 2.499,1210 2.571,1211 3.336,1212 2.489,1213 0.227,1214 0.187,1215 0.344,1216 0.216,1217 0.167,1218 4.542,1219 0.207,1220 3.733,1221 0.064,1222 6.873,1223 0.576,1224 4.326,1225 0.165,1226 3.342,1227 4.136,1228 1.277,1229 11.524,1230 3.302,1231 1.883,1232 1.852,1233 2.05,1234 2.009,1235 1.396,1236 2.024,1237 1.817,1238 1.755,1239 2.038,1240 1.991,1241 1.375,1242 2.014,1243 1.345,1244 1.332,1245 1.527,1246 1.499,1247 0.825,1248 1.519,1249 1.252,1250 1.194,1251 1.513,1252 1.45,1253 0.704,1254 1.458,1255 1.153,1256 1.064,1257 1.417,1258 1.376,1259 0.652,1260 1.429,1261 1.01,1262 0.952,1263 1.395,1264 1.249,1265 0.565,1266 1.308,1267 0.934,1268 0.804,1269 1.317,1270 1.239,1271 0.469,1272 1.277,1273 0.752,1274 0.684,1275 0.871,1276 0.885,1277 0.268,1278 0.973,1279 3.714,1281 5.081,1282 2.398,1283 6.635,1284 4.727,1285 8.274,1286 6.862,1287 9.96,1289 4.321,1295 7.648,1300 2.354,1301 0.081,1305 22.686,1306 57.68,1307 102.228,1308 146.402,1309 155.911,1310 155.911,1311 155.911,1312 28.409,1313 6.567,1314 33.2,1315 61.44,1316 17,1317 12.313,1318 2.807,1319 2.17,1320 25.684,1321 49,1322 42,1323 0.284,1324 142.817,1325 244.16,1326 340.233,1327 5033,1329 12.751,1330 0.708,1331 0.665,1332 13.104,1333 11.977,1334 8.55,1335 0.428,1336 0.382,1337 6.844,1338 7.913,1339 6.504,1340 5.411,1341 8.959,1342 7.646,1343 8.603,1344 0.287,1345 0.241,1346 9.219,1347 7.238,1348 6.523,1349 0.172,1350 0.133,1351 7.428,1352 5.05,1353 5.94,1354 0.112,1355 0.075,1356 6.828,1357 4,1358 4.445,1359 0.068,1360 0.048,1361 5.367,1362 3.111,1363 0.425,1364 56.946,1365 0.276,1366 17.686,1367 0.842,1368 100,1369 233.886,1370 133.363,1371 247.958,1372 340.67,1373 232,1374 118,1375 236.013,1376 151.043,1377 256.819,1378 381.52,1379 240,1380 4.398}
{0 CHEMBL469059,1 1.549,2 8.667,3 3.567,4 12.725,5 97.216,6 7.446,7 0.407,8 3.925,9 4.034,10 3.556,11 3.531,12 4.906,13 3.469,14 4.525,15 4.695,16 4,17 3.968,18 5.437,19 3.891,20 4.802,21 4.99,22 4.067,23 4.152,24 5.718,25 4.025,26 4.963,27 5.227,28 4.034,29 4.151,30 5.842,31 3.981,32 4.735,33 4.94,34 3.956,35 3.993,36 5.764,37 3.863,38 4.555,39 4.739,40 3.73,41 3.923,42 5.425,43 3.768,44 4.55,45 4.771,46 3.569,47 3.811,48 5.44,49 3.679,50 4.561,51 4.793,52 3.374,53 3.731,54 5.513,55 3.577,56 0.016,57 0.656,58 10.345,59 4.796,60 5.781,61 6.075,62 0.203,63 1.161,64 22.056,65 8.148,66 17.624,67 10.601,68 0.281,69 1.478,70 29.374,71 11.166,72 30.271,73 14.311,74 0.302,75 1.684,76 42.382,77 14.422,78 42.275,79 18.194,80 0.529,81 1.376,82 33.114,83 10.058,84 55.701,85 11.915,86 0.163,87 1.174,88 28.294,89 10.157,90 17.939,91 11.939,92 0.215,93 1.082,94 23.484,95 8.679,96 25.086,97 11.234,98 0.306,99 1.01,100 22.897,101 8.966,102 43.867,103 11.825,104 10,105 40,106 0.267,107 0.583,108 0.751,109 0.81,110 0.82,111 0.82,112 3.23,113 1.03,114 -4.27,115 -4.21,116 -3.98,119 41.3,120 2,121 2,123 1,125 3,127 1,142 5,143 1,146 1,152 1,157 1,162 1,172 10,174 1,175 5,183 12,186 1,187 6,195 5,198 1,199 12,207 2,211 2,212 8,220 4,224 5,232 3,237 3,245 5,249 1,250 4,258 8,263 4,271 9,275 742,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 14.697,282 21.271,283 9.38,284 16.511,285 13.38,286 13.38,287 13.38,288 13.38,289 13.38,290 11.221,291 29.522,292 4.496,293 14.112,294 3.974,295 2.146,296 1.171,297 0.832,298 0.772,299 0.772,300 3.925,303 1,304 1,305 1,306 456,307 2.55,310 43.103,311 193.661,314 84.855,318 1.278,319 21.125,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 208,332 4.551,333 3.736,334 6.88,335 4.329,336 3.348,337 4.141,338 1.277,339 11.549,340 3.302,341 4.228,342 3.441,343 6.691,344 4.049,345 3.112,346 3.585,347 0.916,348 10.856,349 2.924,350 4.017,351 3.08,352 6.307,353 3.744,354 2.789,355 3.219,356 0.86,357 9.508,358 2.649,359 3.671,360 2.813,361 5.705,362 3.329,363 2.363,364 2.89,365 0.172,366 7.537,367 2.262,368 3.335,369 2.449,370 5.121,371 2.99,372 1.994,373 2.506,375 5.869,376 1.976,377 3.033,378 2.221,379 4.636,380 2.667,381 1.732,382 2.189,384 4.65,385 1.615,386 2.735,387 1.728,388 3.924,389 2.434,390 1.503,391 1.784,393 3.255,394 1.376,395 2.5,396 1.412,397 3.791,398 2,399 1.065,400 1.5,402 2.75,403 1,404 2.335,405 1.202,406 3.604,407 1.973,408 1,409 1.247,411 2.396,412 0.968,413 2.2,414 1.127,415 3.436,416 1.908,417 1,418 1.142,420 2.292,421 0.886,422 2.109,423 1,424 3.247,425 1.69,426 0.797,427 1.053,428 2.136,429 0.69,430 1.035,431 0.549,432 3.234,433 0.761,434 -0.214,435 -0.243,436 -0.623,437 -0.205,438 0.861,439 0.065,440 2.794,441 0.585,442 -0.388,443 -0.439,445 -1.016,446 -0.357,447 0.747,448 -0.098,449 2.583,450 0.545,451 -0.458,452 -0.54,454 -1.302,455 -0.472,456 0.5,457 -0.434,458 2.232,459 0.162,460 -0.781,461 -0.844,463 -1.887,464 -0.717,465 11.8,466 0.492,467 0.724,468 0.03,469 27.5,470 1.146,471 12,472 0.5,473 15.5,474 0.646,475 24.36,476 1.015,477 26,478 0.565,479 17.23,480 0.718,481 4.851,482 0.202,483 6.682,484 0.278,485 0.113,486 0.042,487 0.288,493 0.714,494 1.25,495 0.756,496 1.006,497 0.584,498 0.974,499 1.036,500 1.026,501 0.794,502 0.872,503 0.67,504 0.844,505 1.019,506 1.196,507 0.992,508 1.079,509 1.036,510 1.145,511 0.71,512 1.054,513 1.08,514 1.075,515 0.662,516 0.878,517 1.745,518 0.91,519 1.405,520 1.005,521 1.92,522 0.961,523 1.02,524 1.304,525 1.659,526 1.533,527 0.678,528 1.271,529 1.186,530 0.932,531 1.033,532 0.981,533 1.33,534 1.036,535 1.051,536 0.964,537 0.899,538 0.988,539 1.364,540 1.115,541 5.5,542 0.062,543 2.889,544 2.319,545 1.459,546 0.803,547 0.507,548 0.422,549 0.271,550 0.151,551 6032,552 13928,553 2.125,554 47.8,555 6,556 12,560 4,564 1.673,565 1.986,566 3.121,567 -0.782,569 1,573 71.266,574 1.549,575 3.378,576 4.352,577 4.692,578 4.752,579 4.752,580 2.519,581 4.054,582 4.559,583 3.241,584 894.391,585 7.889,586 10122,588 1,590 1,591 254.084,592 1.564,593 4.509,594 0.204,595 0.009,596 0.072,597 0.059,598 0.038,599 0.024,600 0.017,601 0.016,602 0.013,603 0.011,604 0.464,605 0.33,606 1,607 0.566,608 111.699,609 0.012,610 -0.129,611 0.087,612 -0.003,613 -0.021,614 0.017,615 -0.012,616 0.054,617 0.145,618 0.11,619 -0.002,620 0.12,621 -0.037,622 -0.147,623 -0.062,624 -0.113,625 -0.11,626 -0.184,627 0.119,628 -0.052,629 0.114,630 0.015,631 0.175,632 0.128,633 -0.193,634 0.211,635 -0.162,636 0.062,637 -0.26,638 -0.038,639 -0.123,640 -0.213,641 -0.343,642 -0.312,643 -0.045,644 -0.252,645 -0.148,646 0.055,647 -0.136,648 -0.05,649 -0.096,650 -0.074,651 0.059,652 -0.087,653 -0.116,654 -0.114,655 0.043,656 -0.146,657 1.422,658 5.476,659 0.875,660 17.333,661 0.995,662 1.119,663 3.045,664 9.27,665 0.678,666 3.332,667 3.714,668 3.989,669 4.331,670 4.564,671 4.682,672 4.812,673 4.963,674 5.017,675 5.011,676 5.285,677 0.629,678 342.5,679 3.332,680 4.905,681 5.771,682 6.688,683 7.574,684 8.496,685 9.39,686 10.314,687 11.213,688 12.138,689 4.3,695 1,699 1,704 5,705 1,708 1,709 4,711 11,716 1,726 1,731 46,733 12,734 1,735 27,737 49,738 19,739 9,740 1,741 5,742 1,746 4,747 5,752 2,753 1,754 1,755 3,758 3,761 10,762 9,766 1,771 1,775 1,777 1,778 1,781 22,782 4,784 5,785 1,790 2,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 24,854 5,856 1,858 1,859 1,860 1,863 1,870 4.3,873 1,874 1,877 12.083,878 8.9,879 5.056,880 2.844,881 1.99,882 1.266,883 0.97,884 4.115,885 9.469,886 3.541,887 4.107,888 4.621,889 5.194,890 5.588,891 5.83,892 6.113,893 6.406,894 6.62,895 6.755,896 0.833,897 39,898 8.953,900 3.907,901 7.573,902 17.601,904 15.272,905 2.073,906 49.75,909 1,910 258.964,911 125.604,912 19.91,914 36.145,916 31.278,917 94.326,918 295.109,919 19.91,920 17.65,921 16.36,922 47.381,923 58.064,924 9.567,925 1.358,926 290.242,928 258.964,929 114.236,930 36.145,931 31.278,933 258.964,934 25.145,935 11,937 37.267,938 60.183,939 16.786,940 31.278,941 258.964,942 56.055,943 125.604,946 258.964,947 60.572,948 68.156,950 52.93,951 258.964,952 56.055,953 125.604,955 0.594,956 0.34,957 0.197,958 0.109,959 22,960 9,961 0.041,962 2,963 1,964 1.095,965 3.538,966 209.016,967 0.095,968 21,969 104.039,970 1,974 16.075,975 6.143,976 3.119,978 56.055,979 10.407,980 4.864,983 1.559,984 4.039,987 440.623,988 33.5,993 12.476,997 0.245,999 45.771,1000 51.487,1001 0.28,1002 0.612,1003 0.788,1004 0.849,1005 0.86,1006 0.86,1007 4.826,1008 1.065,1009 5.808,1010 3.255,1011 4.394,1012 4.792,1013 1.981,1014 6.696,1015 4.3,1016 6.036,1017 1,1018 7.414,1019 2.75,1020 4.205,1021 4.635,1022 0.325,1023 7.888,1024 4.11,1025 7.361,1026 1,1027 9.128,1028 2.396,1029 6.107,1030 6.898,1031 2.126,1032 10.937,1033 5.943,1034 8.716,1035 0.797,1036 10.906,1037 2.292,1038 6.711,1039 7.529,1040 0.393,1041 12.89,1042 6.543,1043 10.104,1044 -0.214,1045 12.722,1046 2.136,1047 8.142,1048 9.309,1049 2.416,1050 15.512,1051 7.925,1052 11.513,1053 -0.388,1054 14.563,1055 -0.623,1056 9.077,1057 10.309,1058 0.384,1059 17.742,1060 8.849,1061 12.938,1062 -0.458,1063 16.42,1064 -1.016,1065 10.34,1066 11.886,1067 2.793,1068 20.229,1069 10.079,1070 3.348,1071 -0.781,1072 18.289,1073 -1.302,1074 11.416,1075 13.076,1076 0.351,1077 22.568,1078 11.142,1079 3.112,1080 11.549,1081 20.166,1082 -1.887,1083 12.62,1084 14.56,1085 3.22,1086 25.009,1087 12.323,1088 2.789,1089 10.856,1090 22.05,1091 4.141,1092 13.756,1093 15.851,1094 0.312,1095 27.394,1096 13.445,1097 2.363,1098 9.508,1099 23.938,1100 3.585,1101 14.942,1102 17.293,1103 3.676,1104 29.822,1105 14.615,1106 1.994,1107 7.537,1108 25.831,1109 3.219,1110 16.105,1111 18.638,1112 0.273,1113 32.228,1114 15.765,1115 1.732,1116 5.869,1117 27.726,1118 2.89,1119 17.288,1120 20.063,1121 4.146,1122 34.653,1123 16.935,1124 1.503,1125 4.65,1126 29.625,1127 2.506,1128 18.463,1129 21.439,1130 0.236,1131 37.07,1132 18.1,1133 5733,1134 8827,1135 18.087,1136 31.182,1137 42.131,1138 42.973,1139 42.04,1140 41.283,1141 41.405,1142 50.517,1143 6.453,1144 125.597,1145 39.297,1146 5.551,1147 5.736,1148 6.682,1149 5.468,1150 5.348,1151 7.141,1152 2.555,1153 18.89,1154 5.302,1155 10.484,1156 1.56,1157 1.592,1158 1.557,1159 1.529,1160 1.534,1161 1.871,1162 0.239,1163 4.652,1164 1.455,1165 4.038,1166 4.065,1167 4.276,1168 3.983,1169 7.427,1170 3.95,1171 3.914,1172 3.943,1173 3.86,1174 3.853,1175 4.831,1176 3.841,1177 3.689,1178 3.738,1179 3.635,1180 3.556,1181 4.724,1182 3.537,1183 3.502,1184 3.541,1185 3.499,1186 3.394,1187 4.554,1188 3.366,1189 3.182,1190 3.215,1191 3.096,1192 2.989,1193 4.215,1194 2.978,1195 3.122,1196 3.2,1197 2.937,1198 2.955,1199 3.769,1200 2.966,1201 2.889,1202 3.009,1203 2.785,1204 2.735,1205 3.674,1206 2.715,1207 2.874,1208 2.963,1209 2.687,1210 2.69,1211 3.595,1212 2.656,1213 0.169,1214 0.138,1215 0.255,1216 0.16,1217 0.124,1218 4.551,1219 0.153,1220 3.736,1221 0.047,1222 6.88,1223 0.428,1224 4.329,1225 0.122,1226 3.348,1227 4.141,1228 1.277,1229 11.549,1230 3.302,1231 1.932,1232 1.903,1233 2.057,1234 2.045,1235 1.375,1236 2.049,1237 1.883,1238 1.852,1239 2.047,1240 2.001,1241 1.28,1242 2.02,1243 1.642,1244 1.594,1245 1.834,1246 1.84,1247 1.02,1248 1.845,1249 1.338,1250 1.318,1251 1.526,1252 1.498,1253 0.76,1254 1.519,1255 1.186,1256 1.141,1257 1.47,1258 1.4,1259 0.692,1260 1.394,1261 1.156,1262 1.084,1263 1.417,1264 1.347,1265 0.584,1266 1.393,1267 0.952,1268 0.914,1269 1.36,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.821,1275 1.181,1276 1.169,1277 0.384,1278 1.192,1279 4.007,1281 5.371,1282 2.398,1283 6.929,1284 4.727,1285 8.576,1286 6.862,1287 10.271,1289 4.294,1295 3.669,1297 5.713,1299 0.163,1300 2.308,1301 0.013,1305 28.928,1306 71.266,1307 155.378,1308 200.21,1309 215.819,1310 218.574,1311 218.574,1312 39.241,1313 7.479,1314 42.43,1315 70.67,1316 23,1317 12.648,1318 3.7,1319 2.907,1320 33.69,1321 76,1322 72,1323 0.222,1324 178.599,1325 308.27,1326 427.542,1327 17318,1329 16.734,1330 0.697,1331 0.622,1332 17.087,1333 14.935,1334 11.534,1335 0.427,1336 0.343,1337 8.434,1338 10.765,1339 8.064,1340 6.657,1341 11.942,1342 9.273,1343 11.215,1344 0.28,1345 0.21,1346 11.831,1347 8.386,1348 8.942,1349 0.169,1350 0.112,1351 9.832,1352 5.959,1353 8.22,1354 0.11,1355 0.063,1356 9.128,1357 4.71,1358 6.481,1359 0.068,1360 0.038,1361 7.457,1362 3.572,1363 0.337,1364 75.807,1365 0.235,1366 22.884,1367 0.646,1368 134,1369 343.622,1370 170.575,1371 350.444,1372 481.56,1373 330,1374 160,1375 335.001,1376 196.643,1377 357.517,1378 531.24,1379 335,1380 4.301}
{0 CHEMBL469099,1 1.638,2 7.111,3 1.955,4 3.822,5 72.933,6 7.4,7 0.25,8 3.686,9 3.799,10 3.321,11 3.244,12 4.629,13 3.18,14 4.313,15 4.5,16 3.777,17 3.684,18 5.198,19 3.606,20 4.558,21 4.752,22 3.799,23 3.859,24 5.477,25 3.716,26 4.693,27 4.979,28 3.649,29 3.802,30 5.558,31 3.592,32 4.27,33 4.484,34 3.398,35 3.445,36 5.342,37 3.301,38 3.9,39 4.054,40 3.015,41 3.266,42 4.757,43 3.113,44 4.018,45 4.244,46 2.859,47 3.146,48 4.92,49 3.03,50 4.115,51 4.377,52 2.558,53 3.075,54 5.005,55 2.868,57 0.539,58 8.607,59 3.824,60 3.519,61 4.847,62 0.205,63 0.929,64 19.175,65 6.326,66 14.486,67 8.421,68 0.275,69 1.129,70 24.453,71 8.66,72 26.157,73 11.12,74 0.279,75 1.187,76 35.571,77 10.9,78 35.82,79 13.74,80 0.458,81 0.809,82 22.783,83 5.887,84 44.97,85 7.133,86 0.046,87 0.604,88 15.154,89 5.366,90 4.276,91 6.33,92 0.16,93 0.568,94 12.725,95 4.382,96 18.901,97 6.048,98 0.276,99 0.553,100 15.002,101 5.243,102 34.223,103 7.151,104 10,105 30,106 0.305,107 0.533,108 0.727,109 0.747,110 0.747,111 0.747,112 2.962,113 1.084,114 -3.05,115 -3.05,116 -2.94,119 36.1,120 2,121 2,123 1,125 4,146 1,152 1,157 1,162 1,172 4,174 1,175 4,183 6,186 1,187 3,195 2,198 1,199 7,207 1,211 2,212 3,220 2,224 2,237 1,249 1,250 2,263 2,275 286,276 11.809,277 11.809,278 11.809,279 11.809,280 11.809,281 11.148,282 17.733,283 6.819,284 12.264,285 9.908,286 9.908,287 9.908,288 9.908,289 9.908,290 8.755,291 23.036,292 3.288,293 10.67,294 3.532,295 2.307,296 1.264,297 1.153,298 1.153,299 1.153,300 3.633,303 1,304 1,305 1,306 276,307 2.345,310 32.45,311 93.094,314 62.812,318 1.123,319 18.337,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 39,331 128,332 4.542,333 3.733,334 6.873,335 4.326,336 3.342,337 4.136,338 1.277,339 11.524,340 3.302,341 4.103,342 3.138,343 6.399,344 3.859,345 2.948,346 3.233,347 0.86,348 9.895,349 2.691,350 3.729,351 3.078,352 5.997,353 3.509,354 2.563,355 2.878,356 0.8,357 8.459,358 2.4,359 3.302,360 2.609,361 5.12,362 2.989,363 1.993,364 2.431,366 5.882,367 1.973,368 2.833,369 2.225,370 4.389,371 2.557,372 1.676,373 1.874,375 4.23,376 1.455,377 2.334,378 1.445,379 3.798,380 1.952,381 1.07,382 1.242,384 2.669,385 0.946,386 2.144,387 1.256,388 3.498,389 1.904,390 1,391 1.063,393 2.276,394 0.882,395 2,396 1.193,397 3.247,398 1.688,399 0.795,400 1,402 2.136,403 0.688,404 1.029,405 0.549,406 3.223,407 0.738,408 -0.243,409 -0.28,411 -0.748,412 -0.233,413 0.755,414 -0.067,415 2.794,416 0.572,417 -0.456,418 -0.526,420 -1.301,421 -0.464,422 0.427,423 -0.36,424 2.404,425 0.246,426 -0.68,427 -0.729,428 -1.585,429 -0.629,430 0.126,431 -0.478,432 2,434 -1,435 -1,436 -2.347,437 -0.846,439 -0.966,440 2,441 -0.149,442 -1,443 -1,445 -3,446 -1,448 -1,449 1.659,450 -0.196,451 -1.172,452 -1.415,454 -3.641,455 -1.108,456 -0.08,457 -1.241,458 1.555,459 -0.466,460 -1.377,461 -1.572,463 -4.459,464 -1.208,465 8.8,466 0.489,467 0.622,468 0.035,469 18,470 1,471 6,472 0.333,473 12,474 0.667,475 18.4,476 1.022,477 20.6,478 0.572,479 9.408,480 0.523,481 2.946,482 0.164,483 5.604,484 0.311,485 0.152,486 0.057,487 0.273,493 0.724,494 1.417,495 0.757,496 1.084,497 0.56,498 1.053,499 1.036,500 0.99,501 0.756,502 0.819,503 0.63,504 0.789,505 1.028,506 1.179,507 1,508 1.072,509 1.05,510 1.183,511 0.568,512 1.018,513 1.134,514 1.126,515 0.646,516 0.869,517 1.701,518 0.835,519 1.554,520 1.055,521 2.352,522 1.011,523 0.847,524 1.65,525 1.836,526 1.947,527 0.727,528 1.619,529 1.356,530 0.929,531 0.853,532 0.88,533 1.741,534 1.116,535 1.048,536 0.964,537 0.812,538 0.932,539 1.315,540 1.185,541 5,543 2.222,544 1.694,545 1.237,546 0.612,547 0.291,548 0.191,549 0.094,550 0.031,551 2647,552 6400,553 2.073,554 50,555 6,556 8,560 4,564 1.588,565 1.912,566 2.854,567 -0.709,569 1,570 1,571 1,573 58.953,574 1.638,575 2.863,576 3.906,577 4.017,578 4.017,579 4.017,580 2.288,581 3.725,582 4.143,583 2.947,584 450.853,585 7.04,586 4111.1,587 1,588 1,590 1,591 186.117,592 1.676,593 4.078,594 0.25,596 0.074,597 0.063,598 0.052,599 0.036,600 0.021,601 0.016,602 0.013,603 0.016,604 0.54,605 0.67,606 1,607 0.662,608 74.776,610 -0.209,611 0.092,612 -0.028,613 -0.014,614 -0.003,615 -0.034,616 0.113,617 0.187,618 0.174,619 0.018,620 0.195,621 -0.077,622 -0.113,623 -0.073,624 -0.085,625 -0.118,626 -0.202,627 0.129,628 -0.058,629 0.088,630 -0.001,631 0.176,632 0.145,633 -0.233,634 0.292,635 -0.284,636 0.029,637 -0.357,638 -0.098,639 -0.102,640 -0.491,641 -0.569,642 -0.652,643 -0.036,644 -0.544,645 -0.211,646 -0.001,647 -0.189,648 -0.122,649 -0.172,650 -0.199,651 0.084,652 -0.184,653 -0.121,654 -0.164,655 -0.003,656 -0.252,657 1.404,658 5.124,659 0.833,660 10.778,661 1,662 1.129,663 1.821,664 3.317,665 0.657,666 3.045,667 3.434,668 3.664,669 3.989,670 4.19,671 4.304,672 4.344,673 4.431,674 4.369,675 4.174,676 4.349,677 0.608,678 266.4,679 3.045,680 4.615,681 5.468,682 6.385,683 7.259,684 8.181,685 9.065,686 9.987,687 10.877,688 11.8,689 5.6,695 1,699 1,705 1,708 1,709 3,711 5,716 1,726 1,731 36,733 6,735 20,737 38,738 13,739 3,742 1,746 3,747 4,752 2,753 1,754 1,755 2,758 2,761 4,762 9,766 1,771 1,775 1,777 1,778 1,781 18,782 4,784 5,785 1,790 2,794 0.667,795 2,811 1,812 2,815 1,839 1,840 2,842 1,844 2,848 18,854 6,856 1,859 1,860 1,863 1,870 5.6,873 1,874 1,877 9.417,878 7.15,879 3.75,880 2.267,881 1.085,882 1.165,883 0.946,884 3.086,885 7.652,886 3.199,887 3.744,888 4.218,889 4.788,890 5.095,891 5.435,892 5.565,893 5.703,894 5.686,895 5.369,896 0.8,897 27,898 6.726,900 2.916,901 7.625,902 13.241,904 11.43,905 2.125,906 38.25,907 0.003,910 211.88,911 77.143,912 19.91,914 36.145,916 31.278,917 45.865,918 248.025,919 19.91,920 17.65,921 18.465,923 58.064,924 6.382,925 1.358,926 243.158,928 211.88,929 65.775,930 36.145,931 31.278,933 211.88,934 25.145,935 11,937 39.373,938 9.616,939 16.786,940 31.278,941 211.88,942 56.055,943 77.143,946 211.88,947 59.492,948 20.775,950 52.93,951 211.88,952 56.055,953 77.143,955 0.6,956 0.332,957 0.185,958 0.102,959 17,960 7,961 0.026,962 1,963 1,964 1.133,965 2.993,966 135.309,967 0.133,968 15,969 69.059,970 1,974 12.4,975 4.48,976 2.429,978 56.055,980 4.689,983 1.56,984 2.882,987 345.077,988 23.5,993 12.124,997 0.262,999 36.003,1000 40.657,1001 0.317,1002 0.554,1003 0.755,1004 0.777,1005 0.777,1006 0.777,1007 4.503,1008 0.795,1009 5.525,1010 2.276,1011 4.111,1012 4.425,1013 1.903,1014 6.412,1015 3.987,1016 5.717,1017 -0.243,1018 7.135,1019 2.136,1020 4.007,1021 4.425,1022 0.325,1023 7.644,1024 3.904,1025 7.054,1026 -0.456,1027 8.852,1028 -0.748,1029 5.844,1030 6.528,1031 2.065,1032 10.646,1033 5.645,1034 8.42,1035 -0.68,1036 10.63,1037 -1.301,1038 6.494,1039 7.312,1040 0.268,1041 12.61,1042 6.316,1043 9.819,1044 -1,1045 12.444,1046 -1.585,1047 7.895,1048 8.973,1049 2.377,1050 15.207,1051 7.655,1052 11.238,1053 -1,1054 14.282,1055 -2.347,1056 8.852,1057 10.101,1058 0.188,1059 17.439,1060 8.625,1061 12.672,1062 -1.172,1063 16.135,1064 -3,1065 10.103,1066 11.603,1067 2.77,1068 19.914,1069 9.842,1070 3.342,1071 -1.377,1072 17.999,1073 -3.641,1074 11.189,1075 12.887,1076 0.125,1077 22.255,1078 10.934,1079 2.948,1080 11.524,1081 19.871,1082 -4.459,1083 12.391,1084 14.331,1085 3.207,1086 24.692,1087 12.118,1088 2.563,1089 9.895,1090 21.75,1091 4.136,1092 13.533,1093 15.687,1094 0.082,1095 27.08,1096 13.262,1097 1.993,1098 8.459,1099 23.634,1100 3.233,1101 14.721,1102 17.111,1103 3.668,1104 29.508,1105 14.441,1106 1.676,1107 5.882,1108 25.522,1109 2.878,1110 15.889,1111 18.5,1112 0.054,1113 31.919,1114 15.608,1115 1.07,1116 4.23,1117 27.414,1118 2.431,1119 17.075,1120 19.918,1121 4.142,1122 34.348,1123 16.79,1124 1,1125 2.669,1126 29.309,1127 1.874,1128 18.256,1129 21.322,1130 0.035,1131 36.771,1132 17.969,1133 2611,1134 4156,1135 13.118,1136 23.659,1137 31.174,1138 32.438,1139 31.087,1140 30.609,1141 30.774,1142 35.716,1143 5.875,1144 94.141,1145 28.672,1146 5.542,1147 5.609,1148 6.675,1149 5.456,1150 5.342,1151 6.805,1152 2.555,1153 18.85,1154 5.302,1155 8.377,1156 1.559,1157 1.622,1158 1.554,1159 1.53,1160 1.539,1161 1.786,1162 0.294,1163 4.707,1164 1.434,1165 4.015,1166 4.04,1167 4.273,1168 3.969,1169 7.427,1170 3.929,1171 3.758,1172 3.813,1173 3.658,1174 3.583,1175 4.802,1176 3.577,1177 3.509,1178 3.548,1179 3.539,1180 3.414,1181 4.58,1182 3.377,1183 3.182,1184 3.215,1185 3.096,1186 2.955,1187 4.215,1188 2.978,1189 3.111,1190 3.206,1191 2.866,1192 2.941,1193 3.719,1194 2.91,1195 2.877,1196 3.009,1197 2.784,1198 2.689,1199 3.474,1200 2.647,1201 2.874,1202 2.955,1203 2.622,1204 2.618,1205 3.467,1206 2.57,1207 2.654,1208 2.747,1209 2.499,1210 2.388,1211 3.351,1212 2.371,1213 0.227,1214 0.187,1215 0.344,1216 0.216,1217 0.167,1218 4.542,1219 0.207,1220 3.733,1221 0.064,1222 6.873,1223 0.576,1224 4.326,1225 0.165,1226 3.342,1227 4.136,1228 1.277,1229 11.524,1230 3.302,1231 1.883,1232 1.852,1233 2.048,1234 2.004,1235 1.375,1236 2.021,1237 1.708,1238 1.654,1239 1.91,1240 1.949,1241 1.199,1242 1.944,1243 1.339,1244 1.318,1245 1.526,1246 1.498,1247 0.825,1248 1.519,1249 1.186,1250 1.141,1251 1.513,1252 1.4,1253 0.692,1254 1.429,1255 1.153,1256 1.064,1257 1.417,1258 1.376,1259 0.584,1260 1.393,1261 0.952,1262 0.914,1263 1.36,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.12,1270 1.168,1271 0.384,1272 1.192,1273 0.622,1274 0.532,1275 0.87,1276 0.851,1277 0.179,1278 0.917,1279 3.714,1281 5.081,1282 2.398,1283 6.635,1284 4.727,1285 8.274,1286 6.862,1287 9.96,1289 4.281,1295 4.82,1297 5.346,1300 2.229,1301 0.056,1305 21.874,1306 58.953,1307 103.059,1308 140.608,1309 144.608,1310 144.608,1311 144.608,1312 28.318,1313 6.567,1314 42.43,1315 70.67,1316 17,1317 12.313,1318 2.807,1319 2.17,1320 25.684,1321 49,1322 42,1323 0.284,1324 137.221,1325 235.65,1326 326.578,1327 5033,1329 12.751,1330 0.708,1331 0.649,1332 13.104,1333 11.678,1334 8.55,1335 0.428,1336 0.361,1337 6.382,1338 7.768,1339 6.064,1340 4.992,1341 8.959,1342 7.224,1343 8.603,1344 0.287,1345 0.226,1346 9.219,1347 6.79,1348 6.523,1349 0.172,1350 0.124,1351 7.428,1352 4.706,1353 5.94,1354 0.112,1355 0.069,1356 6.828,1357 3.669,1358 4.445,1359 0.068,1360 0.042,1361 5.367,1362 2.751,1363 0.425,1364 57.946,1365 0.276,1366 17.686,1367 0.842,1368 100,1369 277.622,1370 136.242,1371 280.944,1372 380.03,1373 264,1374 118,1375 255.649,1376 153.811,1377 274.442,1378 408,1379 256,1380 5.704}
{0 CHEMBL469193,1 1.689,2 7.955,3 3.052,4 9.313,5 85.464,6 8.088,7 0.44,8 3.79,9 3.892,10 3.494,11 3.385,12 4.838,13 3.343,14 4.373,15 4.535,16 3.961,17 3.817,18 5.374,19 3.765,20 4.621,21 4.794,22 4.023,23 3.981,24 5.637,25 3.884,26 4.759,27 5.012,28 3.932,29 3.95,30 5.724,31 3.805,32 4.432,33 4.611,34 3.779,35 3.725,36 5.57,37 3.611,38 4.194,39 4.37,40 3.434,41 3.579,42 5.108,43 3.439,44 4.142,45 4.341,46 3.297,47 3.424,48 5.144,49 3.351,50 4.247,51 4.458,52 3.192,53 3.396,54 5.352,55 3.285,56 0.019,57 0.595,58 7.735,59 3.835,60 4.459,61 4.594,62 0.23,63 1.031,64 17.616,65 6.557,66 17.889,67 8.212,68 0.296,69 1.271,70 22.655,71 8.841,72 27.974,73 10.645,74 0.366,75 1.382,76 35.827,77 11.568,78 39.816,79 14.069,80 0.533,81 1.065,82 23.834,83 6.881,84 52.039,85 7.415,86 0.108,87 0.839,88 19.987,89 7.139,90 8.271,91 8.062,92 0.167,93 0.725,94 13.891,95 5.208,96 18.501,97 6.622,98 0.336,99 0.74,100 15.332,101 5.911,102 44.181,103 7.681,104 10,105 38,106 0.302,107 0.641,108 0.8,109 0.827,110 0.827,111 0.827,112 3.148,113 0.988,114 -4.12,115 -4.07,116 -3.85,119 41,120 2,121 2,123 1,125 2,142 2,144 1,145 1,146 1,147 1,152 1,157 1,162 1,172 5,174 2,175 6,183 6,186 2,187 6,195 2,198 1,199 9,207 2,211 3,212 5,220 3,224 2,232 1,237 3,245 3,249 2,250 5,258 4,263 4,271 2,275 558,276 14.671,277 14.671,278 14.671,279 14.671,280 14.671,281 13.283,282 20.393,283 8.38,284 15.157,285 12.38,286 12.38,287 12.38,288 12.38,289 12.38,290 10.156,291 28.335,292 3.999,293 13.231,294 3.596,295 1.694,296 0.808,297 0.654,298 0.654,299 0.654,300 3.844,303 1,304 1,305 1,306 387,307 2.55,310 36.864,311 143.298,314 72.422,315 80.168,318 1.149,319 21.649,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 175,332 4.561,333 3.735,334 6.88,335 4.329,336 3.348,337 4.16,338 1.277,339 11.549,340 3.302,341 4.331,342 3.392,343 6.694,344 4.046,345 3.122,346 3.855,347 0.86,348 10.866,349 2.871,350 4.034,351 3.08,352 6.308,353 3.736,354 2.793,355 3.198,356 0.8,357 9.511,358 2.635,359 3.613,360 2.834,361 5.697,362 3.249,363 2.317,364 2.83,366 7.507,367 2.151,368 3.257,369 2.461,370 5.117,371 2.922,372 1.933,373 2.413,375 5.847,376 1.887,377 2.946,378 1.957,379 4.575,380 2.547,381 1.618,382 2.111,384 4.357,385 1.492,386 2.825,387 1.585,388 4.023,389 2.333,390 1.432,391 1.947,393 3.554,394 1.281,395 2.457,396 1.37,397 3.795,398 2.2,399 1.25,400 1.45,402 2.789,403 1.175,404 2.307,405 1.246,406 3.582,407 1.719,408 0.843,409 1.172,411 2.382,412 0.714,413 1.969,414 0.9,415 3.301,416 1.589,417 0.684,418 0.856,420 1.703,421 0.613,422 1.034,423 0.549,424 3.196,425 0.75,426 -0.226,427 -0.26,428 -0.678,429 -0.216,430 0.839,431 -0.035,432 2.794,433 0.575,434 -0.433,435 -0.49,436 -1.161,437 -0.394,438 0.741,439 -0.197,440 2.539,441 0.485,442 -0.463,443 -0.557,445 -1.303,446 -0.476,447 0.68,448 -0.293,449 2.273,450 0.288,451 -0.618,452 -0.73,454 -1.478,455 -0.555,456 0.407,457 -0.835,458 2,460 -0.964,461 -1,463 -2.391,464 -0.914,465 10.7,466 0.486,467 0.724,468 0.033,469 27.5,470 1.25,471 12.5,472 0.568,473 15,474 0.682,475 20.429,476 0.929,477 23.5,478 0.603,479 16.479,480 0.749,481 4.768,482 0.217,483 5.766,484 0.262,485 0.125,486 0.047,487 0.318,493 0.73,494 1.318,495 0.698,496 0.994,497 0.568,498 0.931,499 0.835,500 1.028,501 0.695,502 0.841,503 0.593,504 0.765,505 0.991,506 1.166,507 0.95,508 1.071,509 1.039,510 1.12,511 0.82,512 0.993,513 1.087,514 1.034,515 0.738,516 0.832,517 1.689,518 0.876,519 1.548,520 1.07,521 2.199,522 1.055,523 0.764,524 1.373,525 1.691,526 1.674,527 0.631,528 1.331,529 1.155,530 0.907,531 0.875,532 0.907,533 1.338,534 0.995,535 1.071,536 0.99,537 0.827,538 0.956,539 1.363,540 1.175,541 5.5,542 0.025,543 2.889,544 2.194,545 1.561,546 0.643,547 0.467,548 0.333,549 0.243,550 0.107,551 4760,552 12222,553 2.136,554 43.6,555 6,556 6,558 1,560 4,564 1.648,565 1.985,566 3.007,567 -0.717,568 1,569 1,571 1,573 65.889,574 1.689,575 3.592,576 4.477,577 4.631,578 4.631,579 4.631,580 2.431,581 4.187,582 4.436,583 3.117,584 719.939,585 7.632,586 7586.48,587 1,588 1,589 1,590 1,591 206.131,592 1.62,593 4.378,594 0.22,595 0.012,596 0.076,597 0.059,598 0.046,599 0.025,600 0.021,601 0.016,602 0.014,603 0.012,604 0.502,605 0.5,606 1,607 0.595,608 98.726,609 -0.015,610 -0.208,611 0.084,612 -0.032,613 -0.018,614 -0.001,615 0.087,616 0.041,617 0.213,618 0.126,619 0.062,620 0.174,621 -0.023,622 -0.128,623 -0.038,624 -0.112,625 -0.104,626 -0.184,627 0.063,628 -0.023,629 0.13,630 0.075,631 0.149,632 0.199,633 -0.264,634 0.271,635 -0.302,636 0.023,637 -0.398,638 -0.162,639 -0.066,640 -0.309,641 -0.392,642 -0.424,643 0.002,644 -0.298,645 -0.153,646 0.052,647 -0.124,648 -0.063,649 -0.068,650 -0.057,651 0.125,652 -0.134,653 -0.122,654 -0.154,655 0.088,656 -0.23,657 1.449,658 5.358,659 0.864,660 14,661 1.006,662 1.122,663 2.892,664 8.363,665 0.69,666 3.258,667 3.664,668 3.951,669 4.304,670 4.543,671 4.673,672 4.804,673 4.97,674 5.05,675 5.037,676 4.898,677 0.65,678 315.43,679 3.258,680 4.844,681 5.72,682 6.648,683 7.541,684 8.47,685 9.37,686 10.299,687 11.203,688 12.132,689 7.7,697 1,699 2,704 3,705 2,708 1,709 5,711 11,716 1,726 1,729 1,731 39,733 12,735 25,737 42,738 16,739 8,742 1,746 4,747 6,752 2,753 1,754 1,755 2,758 2,761 9,762 7,766 1,771 1,775 1,777 1,778 1,781 17,782 5,784 6,785 1,790 3,794 0.5,795 2,805 1,811 1,812 3,815 1,816 1,840 2,842 1,844 2,848 22,854 4,856 1,859 1,860 1,863 1,870 5.1,873 1,875 1,877 11.083,878 7.85,879 4.556,880 2.41,881 2.21,882 1.297,883 0.987,884 3.225,885 9.647,886 3.481,887 4.09,888 4.641,889 5.241,890 5.664,891 5.953,892 6.288,893 6.64,894 6.917,895 7.11,896 1,897 37,898 8.178,900 3.606,901 7.663,902 15.856,904 13.715,905 2.163,906 47.583,907 0.001,910 200.109,911 106.016,912 36.695,914 36.145,916 31.278,917 74.738,918 236.254,919 36.695,920 17.65,921 11.767,922 18.952,923 75.621,924 29.186,925 6.173,926 219.615,928 200.109,929 111.434,930 36.145,931 31.278,933 200.109,934 36.145,937 44.847,938 33.016,939 33.571,940 31.278,941 200.109,942 72.84,943 106.016,946 200.109,947 60.366,948 48.775,950 69.716,951 200.109,952 72.84,953 106.016,955 0.602,956 0.347,957 0.2,958 0.109,959 22,960 9,961 0.024,962 1,963 2,964 1.211,965 3.354,966 188.392,967 0.211,968 19,969 96.107,970 1,974 14.133,975 5.02,976 2.45,978 72.84,979 5.594,980 9.021,983 1.496,984 4.193,987 378.965,988 31.5,993 12.358,997 0.217,999 39.222,1000 43.74,1001 0.32,1002 0.68,1003 0.847,1004 0.876,1005 0.876,1006 0.876,1007 4.777,1008 1.25,1009 5.771,1010 3.554,1011 4.344,1012 4.775,1013 1.903,1014 6.676,1015 4.224,1016 6.009,1017 0.843,1018 7.39,1019 2.789,1020 4.205,1021 4.705,1022 0.325,1023 7.888,1024 4.083,1025 7.35,1026 0.684,1027 9.113,1028 2.382,1029 6.08,1030 6.942,1031 2.065,1032 10.934,1033 5.873,1034 8.722,1035 -0.226,1036 10.897,1037 1.703,1038 6.711,1039 7.646,1040 0.268,1041 12.89,1042 6.501,1043 10.124,1044 -0.433,1045 12.717,1046 -0.678,1047 8.13,1048 9.408,1049 2.377,1050 15.513,1051 7.861,1052 11.546,1053 -0.463,1054 14.56,1055 -1.161,1056 9.08,1057 10.466,1058 0.188,1059 17.743,1060 8.803,1061 12.983,1062 -0.618,1063 16.418,1064 -1.303,1065 10.339,1066 12.033,1067 2.77,1068 20.231,1069 10.023,1070 3.348,1071 -0.964,1072 18.288,1073 -1.478,1074 11.422,1075 13.264,1076 0.125,1077 22.57,1078 11.095,1079 3.122,1080 11.549,1081 20.166,1082 -2.391,1083 12.626,1084 14.744,1085 3.207,1086 25.012,1087 12.273,1088 2.793,1089 10.866,1090 22.05,1091 4.16,1092 13.765,1093 16.061,1094 0.082,1095 27.398,1096 13.401,1097 2.317,1098 9.511,1099 23.939,1100 3.855,1101 14.952,1102 17.502,1103 3.668,1104 29.826,1105 14.57,1106 1.933,1107 7.507,1108 25.832,1109 3.198,1110 16.116,1111 18.862,1112 0.054,1113 32.232,1114 15.725,1115 1.618,1116 5.847,1117 27.728,1118 2.83,1119 17.3,1120 20.286,1121 4.142,1122 34.657,1123 16.896,1124 1.432,1125 4.357,1126 29.627,1127 2.413,1128 18.477,1129 21.669,1130 0.035,1131 37.074,1132 18.064,1133 4511,1134 7373,1135 16.701,1136 26.904,1137 39.4,1138 40.337,1139 39.458,1140 38.54,1141 38.683,1142 47.982,1143 5.875,1144 120.131,1145 36.242,1146 5.511,1147 5.735,1148 6.569,1149 5.468,1150 5.348,1151 7.16,1152 2.555,1153 18.89,1154 5.302,1155 9.799,1156 1.576,1157 1.613,1158 1.578,1159 1.542,1160 1.547,1161 1.919,1162 0.235,1163 4.805,1164 1.45,1165 4.035,1166 4.061,1167 4.277,1168 3.978,1169 7.427,1170 3.943,1171 3.886,1172 3.92,1173 3.85,1174 3.759,1175 4.991,1176 3.772,1177 3.569,1178 3.616,1179 3.613,1180 3.507,1181 4.753,1182 3.456,1183 3.415,1184 3.472,1185 3.294,1186 3.248,1187 4.346,1188 3.241,1189 3.181,1190 3.214,1191 3.093,1192 2.955,1193 4.216,1194 2.977,1195 2.895,1196 3.009,1197 2.8,1198 2.706,1199 3.898,1200 2.685,1201 2.874,1202 2.968,1203 2.728,1204 2.618,1205 3.5,1206 2.578,1207 2.738,1208 2.811,1209 2.589,1210 2.594,1211 3.467,1212 2.57,1213 0.182,1214 0.149,1215 0.275,1216 0.173,1217 0.134,1218 4.561,1219 0.166,1220 3.735,1221 0.051,1222 6.88,1223 0.462,1224 4.329,1225 0.132,1226 3.348,1227 4.16,1228 1.277,1229 11.549,1230 3.302,1231 1.883,1232 1.852,1233 2.048,1234 2.031,1235 1.375,1236 2.022,1237 1.857,1238 1.824,1239 1.956,1240 2,1241 1.135,1242 2.007,1243 1.465,1244 1.415,1245 1.69,1246 1.656,1247 0.842,1248 1.672,1249 1.336,1250 1.307,1251 1.526,1252 1.498,1253 0.692,1254 1.519,1255 1.181,1256 1.133,1257 1.417,1258 1.392,1259 0.584,1260 1.389,1261 0.956,1262 0.916,1263 1.359,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.095,1270 1.156,1271 0.375,1272 1.181,1273 0.709,1274 0.664,1275 0.922,1276 0.925,1277 0.146,1278 0.939,1279 3.932,1281 5.313,1282 2.398,1283 6.889,1284 4.727,1285 8.555,1286 6.862,1287 10.27,1289 4.252,1295 2.758,1297 5.589,1300 2.106,1305 25.369,1306 65.889,1307 140.073,1308 174.621,1309 180.621,1310 180.621,1311 180.621,1312 33.195,1313 7.437,1314 55.32,1315 83.56,1316 23,1317 12.639,1318 3.7,1319 2.907,1320 29.803,1321 65,1322 54,1323 0.233,1324 156.616,1325 267.37,1326 373.904,1327 16004,1329 15.32,1330 0.696,1331 0.611,1332 15.673,1333 13.443,1334 10.534,1335 0.421,1336 0.329,1337 7.385,1338 9.707,1339 7.057,1340 5.826,1341 10.942,1342 8.234,1343 10.508,1344 0.277,1345 0.198,1346 11.124,1347 7.519,1348 8.442,1349 0.166,1350 0.102,1351 9.332,1352 5.213,1353 7.873,1354 0.108,1355 0.057,1356 8.78,1357 4.135,1358 6.213,1359 0.067,1360 0.034,1361 7.189,1362 3.121,1363 0.351,1364 70.17,1365 0.245,1366 21.098,1367 0.683,1368 126,1369 357.267,1370 165.071,1371 361.562,1372 500.73,1373 340,1374 152,1375 359.637,1376 191.167,1377 378.307,1378 564.43,1379 355,1380 4.946}
{0 CHEMBL469194,1 1.592,2 10.107,3 4.46,4 19.888,5 109.915,6 7.99,7 0.531,8 4.008,9 4.109,10 3.696,11 3.638,12 5.065,13 3.593,14 4.572,15 4.726,16 4.145,17 4.066,18 5.575,19 4.011,20 4.837,21 5.009,22 4.218,23 4.233,24 5.848,25 4.139,26 4.961,27 5.201,28 4.149,29 4.222,30 5.922,31 4.086,32 4.735,33 4.92,34 4.063,35 4.081,36 5.81,37 3.97,38 4.601,39 4.778,40 3.916,41 4.001,42 5.545,43 3.883,44 4.587,45 4.772,46 3.901,47 3.93,48 5.611,49 3.859,50 4.673,51 4.868,52 3.806,53 3.956,54 5.705,55 3.839,56 0.001,57 0.7,58 9.511,59 4.725,60 5.956,61 5.757,62 0.151,63 1.234,64 20.479,65 8.161,66 17.653,67 10.171,68 0.266,69 1.556,70 27.496,71 10.984,72 32.849,73 13.319,74 0.309,75 1.746,76 40.421,77 14.301,78 43.382,79 17.535,80 0.488,81 1.444,82 29.531,83 9.94,84 53.489,85 11.211,86 0.159,87 1.255,88 27.111,89 10.095,90 16.25,91 11.733,92 0.236,93 1.203,94 22.011,95 8.083,96 27.852,97 9.936,98 0.327,99 1.221,100 24.587,101 9.759,102 44.556,103 11.909,104 10,105 48,106 0.267,107 0.618,108 0.787,109 0.854,110 0.854,111 0.854,112 3.376,113 0.966,114 -4.46,115 -4.39,116 -4.13,119 44.9,120 2,121 2,123 1,125 2,142 6,143 1,144 2,145 1,146 2,152 1,157 1,162 1,172 9,174 1,175 9,183 10,186 1,187 10,195 6,198 1,199 11,207 6,211 3,212 6,220 7,223 1,224 5,232 3,236 1,237 6,245 5,249 1,250 6,258 8,263 5,271 8,275 1186,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.845,282 20.393,283 10.878,284 19.378,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.633,291 28.335,292 5.212,293 16.693,294 4.022,295 1.928,296 0.919,297 0.521,298 0.521,299 0.521,300 4.086,304 1,305 1,306 632,307 2.739,310 49.674,311 272.601,314 97.954,315 108.228,318 1.551,319 23.759,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 283,332 4.567,333 3.735,334 6.881,335 4.329,336 3.349,337 4.176,338 1.277,339 11.552,340 3.302,341 4.406,342 3.406,343 6.712,344 4.098,345 3.154,346 4.023,347 0.86,348 10.943,349 2.983,350 4.12,351 3.08,352 6.32,353 3.81,354 2.861,355 3.556,356 0.8,357 9.578,358 2.7,359 3.987,360 2.884,361 6.115,362 3.664,363 2.702,364 3.193,366 8.935,367 2.593,368 3.606,369 2.743,370 5.681,371 3.242,372 2.298,373 2.839,375 7.46,376 2.156,377 3.302,378 2.459,379 5.117,380 2.93,381 1.935,382 2.615,384 5.848,385 1.908,386 3.225,387 1.971,388 4.598,389 2.794,390 1.827,391 2.391,393 4.649,394 1.761,395 2.828,396 1.696,397 4.459,398 2.4,399 1.47,400 1.948,402 4.279,403 1.359,404 2.67,405 1.581,406 3.975,407 2.312,408 1.392,409 1.738,411 3.296,412 1.266,413 2.5,414 1.247,415 3.794,416 2.106,417 1.13,418 1.5,420 2.675,421 1.099,422 2.461,423 1.159,424 3.511,425 1.958,426 1,427 1.453,428 2.388,429 0.955,430 2.309,431 1,432 3.37,433 1.727,434 0.846,435 1.174,436 2.136,437 0.721,438 1.998,439 0.909,440 3.247,441 1.626,442 0.704,443 0.887,445 1.835,446 0.642,447 1.075,448 0.549,449 3.226,450 0.785,451 -0.182,452 -0.213,454 -0.51,455 -0.174,456 1.009,457 0.022,458 2.794,459 0.659,460 -0.308,461 -0.37,463 -0.886,464 -0.29,465 13.7,466 0.489,467 0.844,468 0.03,469 37,470 1.321,471 18.5,472 0.661,473 18.5,474 0.661,475 26.201,476 0.936,477 28.9,478 0.59,479 24.998,480 0.893,481 6.643,482 0.237,483 6.857,484 0.245,485 0.097,486 0.036,487 0.321,493 0.718,494 1.2,495 0.706,496 0.946,497 0.585,498 0.891,499 0.91,500 1.047,501 0.73,502 0.873,503 0.629,504 0.799,505 1.107,506 1.147,507 0.972,508 1.037,509 1.066,510 1.074,511 0.84,512 1.014,513 1.096,514 1.043,515 0.764,516 0.877,517 1.485,518 0.916,519 1.354,520 1.019,521 1.934,522 1.008,523 0.818,524 1.266,525 1.458,526 1.421,527 0.586,528 1.155,529 1.331,530 0.932,531 0.96,532 0.926,533 1.195,534 0.944,535 1.28,536 1.014,537 1.033,538 1.028,539 1.278,540 1.114,541 6.5,542 0.143,543 3.556,544 2.319,545 1.783,546 1.088,547 0.65,548 0.417,549 0.361,550 0.248,551 9757,552 23814,553 2.168,554 42.9,555 6,556 10,558 1,560 4,564 1.713,565 2.036,566 3.329,567 -0.778,569 1,573 78.02,574 1.592,575 3.687,576 4.696,577 5.094,578 5.094,579 5.094,580 2.74,581 4.28,582 4.78,583 3.463,584 1308.9,585 8.328,586 16597.1,588 1,590 1,591 275.121,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.048,598 0.04,599 0.028,600 0.018,601 0.011,602 0.011,603 0.011,604 0.453,605 0.33,606 0.88,607 0.517,608 138.307,609 0.001,610 -0.142,611 0.081,612 -0.011,613 -0.025,614 0.015,615 0.026,616 0.004,617 0.175,618 0.083,619 0.037,620 0.127,621 -0.06,622 -0.119,623 -0.049,624 -0.086,625 -0.105,626 -0.146,627 0.062,628 -0.014,629 0.096,630 0.052,631 0.136,632 0.146,633 -0.149,634 0.193,635 -0.189,636 0.029,637 -0.316,638 -0.09,639 0.029,640 -0.212,641 -0.22,642 -0.266,643 0.039,644 -0.163,645 -0.129,646 0.1,647 -0.064,648 -0.016,649 -0.044,650 -0.029,651 -0.03,652 -0.083,653 -0.128,654 -0.087,655 -0.013,656 -0.155,657 1.453,658 5.601,659 0.893,660 23.005,661 1,662 1.114,663 3.229,664 10.428,665 0.703,666 3.497,667 3.892,668 4.19,669 4.533,670 4.804,671 4.963,672 5.142,673 5.328,674 5.472,675 5.565,676 6.043,677 0.662,678 391.53,679 3.497,680 5.081,681 5.958,682 6.878,683 7.772,684 8.696,685 9.597,686 10.522,687 11.428,688 12.355,689 6.1,697 1,699 2,704 7,705 2,708 1,709 7,711 17,716 1,726 1,729 1,731 49,733 18,734 1,735 32,737 53,738 22,739 14,740 3,741 3,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 2,761 15,762 7,766 1,771 1,775 1,778 1,781 21,782 5,784 6,785 1,790 3,794 0.6,795 2,805 1,811 1,812 4,815 1,816 1,840 3,842 1,844 2,848 28,854 4,856 1,859 1,860 1,863 1,870 4.1,873 1,875 1,877 13.75,878 9.683,879 5.833,880 3.028,881 3.169,882 1.383,883 1.01,884 4.24,885 11.435,886 3.75,887 4.373,888 4.955,889 5.569,890 6.07,891 6.399,892 6.828,893 7.225,894 7.601,895 7.935,896 0.857,897 48,898 10.4,900 4.58,901 7.604,902 20.234,904 17.506,905 2.104,906 58.917,908 1,909 1,910 247.193,911 150.292,912 36.695,914 36.145,916 31.278,917 119.014,918 283.338,919 36.695,920 17.65,921 11.767,922 56.857,923 75.621,924 40.372,925 1.358,926 266.7,928 247.193,929 155.71,930 36.145,931 31.278,933 247.193,934 36.145,937 47.604,938 74.535,939 33.571,940 31.278,941 247.193,942 72.84,943 150.292,946 247.193,947 66.737,948 86.68,950 69.716,951 247.193,952 72.84,953 150.292,955 0.599,956 0.346,957 0.196,958 0.109,959 27,960 11,961 0.038,962 2,963 2,964 1.16,965 3.915,966 265.252,967 0.16,968 25,969 132.606,970 1,974 17.813,975 6.665,976 3.256,978 72.84,979 13.817,980 9.332,983 1.51,984 6.412,987 470.325,988 41.5,993 12.601,997 0.214,999 48.989,1000 54.571,1001 0.284,1002 0.657,1003 0.836,1004 0.907,1005 0.907,1006 0.907,1007 5.032,1008 1.47,1009 5.994,1010 4.649,1011 4.575,1012 5.059,1013 1.903,1014 6.882,1015 4.481,1016 6.262,1017 1.392,1018 7.6,1019 4.279,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.265,1025 7.596,1026 1.13,1027 9.311,1028 3.296,1029 6.286,1030 7.242,1031 2.065,1032 11.095,1033 6.119,1034 8.961,1035 1,1036 11.082,1037 2.675,1038 6.868,1039 7.888,1040 0.268,1041 13.014,1042 6.688,1043 10.357,1044 0.846,1045 12.891,1046 2.388,1047 8.305,1048 9.709,1049 2.377,1050 15.634,1051 8.08,1052 11.773,1053 0.704,1054 14.723,1055 2.136,1056 9.223,1057 10.722,1058 0.188,1059 17.842,1060 8.981,1061 13.205,1062 -0.182,1063 16.571,1064 1.835,1065 10.486,1066 12.328,1067 2.77,1068 20.324,1069 10.212,1070 3.349,1071 -0.308,1072 18.432,1073 -0.51,1074 11.549,1075 13.529,1076 0.125,1077 22.65,1078 11.259,1079 3.154,1080 11.552,1081 20.301,1082 -0.886,1083 12.75,1084 15.033,1085 3.207,1086 25.086,1087 12.436,1088 2.861,1089 10.943,1090 22.177,1091 4.176,1092 13.877,1093 16.332,1094 0.082,1095 27.464,1096 13.547,1097 2.702,1098 9.578,1099 24.058,1100 4.023,1101 15.059,1102 17.788,1103 3.668,1104 29.887,1105 14.711,1106 2.298,1107 8.935,1108 25.943,1109 3.556,1110 16.215,1111 19.139,1112 0.054,1113 32.289,1114 15.853,1115 1.935,1116 7.46,1117 27.832,1118 3.193,1119 17.394,1120 20.572,1121 4.142,1122 34.71,1123 17.017,1124 1.827,1125 5.848,1126 29.725,1127 2.839,1128 18.565,1129 21.951,1130 0.035,1131 37.125,1132 18.175,1133 9024,1134 14261,1135 21.671,1136 34.426,1137 50.238,1138 50.994,1139 50.012,1140 49.217,1141 49.336,1142 62.989,1143 5.875,1144 151.147,1145 46.891,1146 5.516,1147 5.735,1148 6.683,1149 5.47,1150 5.349,1151 7.176,1152 2.555,1153 18.895,1154 5.302,1155 11.806,1156 1.57,1157 1.594,1158 1.563,1159 1.538,1160 1.542,1161 1.968,1162 0.184,1163 4.723,1164 1.465,1165 4.062,1166 4.087,1167 4.279,1168 3.999,1169 7.427,1170 3.978,1171 3.948,1172 3.973,1173 3.946,1174 3.888,1175 4.964,1176 3.874,1177 3.78,1178 3.821,1179 3.713,1180 3.662,1181 4.822,1182 3.667,1183 3.562,1184 3.603,1185 3.604,1186 3.506,1187 4.705,1188 3.457,1189 3.409,1190 3.464,1191 3.293,1192 3.255,1193 4.259,1194 3.248,1195 3.181,1196 3.214,1197 3.094,1198 2.957,1199 4.215,1200 2.979,1201 2.954,1202 3.009,1203 2.846,1204 2.828,1205 3.83,1206 2.822,1207 2.874,1208 3.008,1209 2.773,1210 2.742,1211 3.803,1212 2.728,1213 0.143,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.735,1221 0.04,1222 6.881,1223 0.361,1224 4.329,1225 0.103,1226 3.349,1227 4.176,1228 1.277,1229 11.552,1230 3.302,1231 1.967,1232 1.945,1233 2.052,1234 2.075,1235 1.375,1236 2.069,1237 1.883,1238 1.852,1239 2.046,1240 2.002,1241 1.206,1242 2.02,1243 1.751,1244 1.715,1245 1.881,1246 1.902,1247 1.01,1248 1.899,1249 1.465,1250 1.42,1251 1.681,1252 1.627,1253 0.836,1254 1.65,1255 1.336,1256 1.307,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.184,1262 1.136,1263 1.417,1264 1.394,1265 0.584,1266 1.391,1267 0.974,1268 0.931,1269 1.36,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.873,1275 1.18,1276 1.175,1277 0.391,1278 1.199,1279 4.174,1281 5.549,1282 2.398,1283 7.119,1284 4.727,1285 8.778,1286 6.862,1287 10.484,1289 4.27,1295 2.739,1297 5.87,1300 2.175,1301 -0.023,1305 32.422,1306 78.02,1307 180.657,1308 230.101,1309 249.611,1310 249.611,1311 249.611,1312 42.723,1313 8.266,1314 55.32,1315 83.56,1316 29,1317 12.863,1318 4.248,1319 3.392,1320 37.545,1321 100,1322 104,1323 0.183,1324 197.995,1325 339.99,1326 474.867,1327 46493,1329 19.303,1330 0.689,1331 0.598,1332 19.656,1333 16.753,1334 13.5,1335 0.422,1336 0.322,1337 9.456,1338 12.669,1339 9.074,1340 7.495,1341 13.908,1342 10.305,1343 13.195,1344 0.275,1345 0.189,1346 13.811,1347 9.088,1348 10.879,1349 0.167,1350 0.098,1351 11.769,1352 6.4,1353 9.933,1354 0.108,1355 0.054,1356 10.84,1357 4.992,1358 8.066,1359 0.067,1360 0.031,1361 9.036,1362 3.776,1363 0.281,1364 87.968,1365 0.215,1366 26.263,1367 0.52,1368 160,1369 425.267,1370 198.96,1371 432.945,1372 605.39,1373 408,1374 193,1375 441.637,1376 232.139,1377 464.062,1378 689.88,1379 437,1380 6.169}
{0 CHEMBL469200,1 1.521,2 10.107,3 5.182,4 26.85,5 112.443,6 7.811,7 0.531,8 4.019,9 4.119,10 3.689,11 3.668,12 5.054,13 3.614,14 4.585,15 4.737,16 4.14,17 4.1,18 5.563,19 4.035,20 4.86,21 5.032,22 4.214,23 4.272,24 5.844,25 4.166,26 4.988,27 5.227,28 4.147,29 4.26,30 5.925,31 4.112,32 4.77,33 4.962,34 4.06,35 4.113,36 5.816,37 3.993,38 4.624,39 4.806,40 3.909,41 4.031,42 5.537,43 3.907,44 4.61,45 4.791,46 3.89,47 3.977,48 5.605,49 3.891,50 4.712,51 4.909,52 3.807,53 4.004,54 5.715,55 3.871,56 0.015,57 0.675,58 10.075,59 4.935,60 6.201,61 6.122,62 0.157,63 1.21,64 21.187,65 8.607,66 16.445,67 10.861,68 0.269,69 1.552,70 28.776,71 11.701,72 31.549,73 14.412,74 0.294,75 1.778,76 41.224,77 15.155,78 42.667,79 18.7,80 0.464,81 1.475,82 31.144,83 10.596,84 53.274,85 12.235,86 0.134,87 1.266,88 27.973,89 10.503,90 15.521,91 12.291,92 0.207,93 1.189,94 22.53,95 8.781,96 26.024,97 10.717,98 0.336,99 1.261,100 26.894,101 10.664,102 44.623,103 13.007,104 10,105 48,106 0.254,107 0.584,108 0.725,109 0.812,110 0.831,111 0.831,112 3.376,113 0.979,114 -5.46,115 -5.34,116 -4.99,119 46,120 2,121 2,123 1,125 2,142 8,143 2,144 2,146 1,152 1,157 1,162 1,172 14,174 1,175 6,183 18,186 1,187 7,195 13,198 1,199 11,207 9,211 2,212 8,220 8,224 8,232 4,237 7,245 6,249 1,250 7,258 10,263 5,271 11,275 1186,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.845,282 20.393,283 10.878,284 19.315,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.633,291 28.335,292 5.212,293 16.593,294 4.123,295 2.146,296 1.3,297 0.78,298 0.67,299 0.67,300 4.086,304 1,305 1,306 632,307 2.739,310 49.674,311 272.601,314 97.954,315 108.228,318 1.551,319 22.006,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 59,331 283,332 4.567,333 3.735,334 6.881,335 4.329,336 3.349,337 4.176,338 1.277,339 11.552,340 3.302,341 4.406,342 3.406,343 6.712,344 4.1,345 3.154,346 4.023,347 0.86,348 10.943,349 2.997,350 4.12,351 3.08,352 6.32,353 3.818,354 2.861,355 3.556,356 0.8,357 9.578,358 2.723,359 3.987,360 2.884,361 6.115,362 3.674,363 2.702,364 3.193,366 8.935,367 2.61,368 3.606,369 2.743,370 5.681,371 3.244,372 2.298,373 2.839,375 7.46,376 2.162,377 3.302,378 2.459,379 5.117,380 2.932,381 1.935,382 2.615,384 5.848,385 1.914,386 3.225,387 1.971,388 4.598,389 2.806,390 1.827,391 2.391,393 4.649,394 1.78,395 2.828,396 1.696,397 4.459,398 2.401,399 1.47,400 1.948,402 4.279,403 1.36,404 2.67,405 1.581,406 3.975,407 2.314,408 1.392,409 1.738,411 3.296,412 1.269,413 2.5,414 1.247,415 3.794,416 2.118,417 1.13,418 1.5,420 2.675,421 1.112,422 2.461,423 1.159,424 3.511,425 2,426 1,427 1.453,428 2.388,429 1,430 2.309,431 1,432 3.37,433 1.728,434 0.846,435 1.174,436 2.136,437 0.722,438 1.998,439 0.909,440 3.247,441 1.627,442 0.704,443 0.887,445 1.835,446 0.642,447 1.075,448 0.549,449 3.226,450 0.787,451 -0.182,452 -0.213,454 -0.51,455 -0.174,456 1.009,457 0.022,458 2.794,459 0.663,460 -0.308,461 -0.37,463 -0.886,464 -0.29,465 13.8,466 0.493,467 0.844,468 0.03,469 36.5,470 1.304,471 18.5,472 0.661,473 18,474 0.643,475 26.518,476 0.947,477 28.8,478 0.576,479 24.681,480 0.881,481 6.562,482 0.234,483 6.938,484 0.248,485 0.097,486 0.036,487 0.319,493 0.705,494 1.129,495 0.722,496 0.923,497 0.588,498 0.886,499 0.886,500 1.009,501 0.742,502 0.874,503 0.619,504 0.814,505 1.081,506 1.136,507 0.972,508 1.039,509 1.059,510 1.08,511 0.801,512 1.036,513 1.083,514 1.05,515 0.745,516 0.892,517 1.524,518 0.952,519 1.324,520 1.004,521 1.926,522 0.99,523 0.921,524 1.243,525 1.458,526 1.378,527 0.597,528 1.126,529 1.454,530 0.949,531 0.989,532 0.922,533 1.212,534 0.964,535 1.286,536 1.019,537 1.11,538 1.067,539 1.263,540 1.114,541 6.5,542 0.143,543 3.556,544 2.319,545 1.783,546 1.088,547 0.65,548 0.417,549 0.361,550 0.248,551 9757,552 22714,553 2.168,554 44,555 6,556 12,560 4,564 1.713,565 2.036,566 3.329,567 -0.813,573 76.043,574 1.521,575 3.498,576 4.343,577 4.863,578 4.974,579 4.974,580 2.74,581 4.28,582 4.78,583 3.463,584 1308.9,585 8.328,586 16597.1,591 282.193,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.048,598 0.04,599 0.028,600 0.018,601 0.011,602 0.011,603 0.011,604 0.453,605 0.33,606 0.75,607 0.517,608 138.307,609 0.011,610 -0.094,611 0.082,612 0.008,613 -0.032,614 0.027,615 0.051,616 0.03,617 0.169,618 0.081,619 0.035,620 0.117,621 -0.03,622 -0.116,623 -0.045,624 -0.09,625 -0.102,626 -0.147,627 0.092,628 -0.026,629 0.097,630 0.036,631 0.146,632 0.125,633 -0.143,634 0.164,635 -0.157,636 0.033,637 -0.293,638 -0.068,639 -0.05,640 -0.181,641 -0.219,642 -0.24,643 0.019,644 -0.14,645 -0.179,646 0.071,647 -0.091,648 -0.008,649 -0.055,650 -0.045,651 -0.011,652 -0.073,653 -0.149,654 -0.098,655 0.001,656 -0.151,657 1.443,658 5.609,659 0.893,660 23.005,661 0.995,662 1.11,663 4.232,664 17.908,665 0.704,666 3.497,667 3.892,668 4.19,669 4.533,670 4.804,671 4.963,672 5.142,673 5.328,674 5.472,675 5.565,676 6.043,677 0.659,678 390.54,679 3.497,680 5.081,681 5.958,682 6.878,683 7.772,684 8.696,685 9.597,686 10.522,687 11.428,688 12.355,689 4,697 1,699 1,704 8,705 1,708 1,709 7,711 17,716 1,726 1,729 1,731 50,733 18,734 2,735 32,737 54,738 23,739 15,740 4,741 8,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 2,761 16,762 7,766 1,771 1,775 1,781 22,782 4,784 5,785 1,790 2,794 0.6,795 2,811 1,812 4,815 1,816 1,840 3,842 1,844 2,848 28,854 4,856 1,859 1,860 1,863 1,870 4,873 1,875 1,877 13.75,878 9.817,879 5.833,880 3.106,881 3.169,882 1.383,883 1.013,884 4.277,885 11.435,886 3.75,887 4.373,888 4.955,889 5.569,890 6.07,891 6.399,892 6.828,893 7.225,894 7.601,895 7.935,896 0.857,897 48,898 10.41,900 4.583,901 7.568,902 20.364,904 17.698,905 2.068,906 57.917,909 1,910 258.964,911 160.626,912 19.91,914 36.145,916 31.278,917 129.348,918 295.109,919 19.91,920 17.65,921 11.767,922 75.81,923 47.064,924 31.753,925 1.358,926 290.242,928 258.964,929 149.258,930 36.145,931 31.278,933 258.964,934 36.145,937 35.799,938 96.673,939 16.786,940 31.278,941 258.964,942 56.055,943 160.626,946 258.964,947 67.166,948 96.585,950 52.93,951 258.964,952 56.055,953 160.626,955 0.599,956 0.346,957 0.196,958 0.109,959 27,960 11,961 0.037,962 2,963 2,964 1.16,965 3.915,966 265.252,967 0.16,968 25,969 128.606,970 1,974 17.873,975 6.7,976 3.276,978 56.055,979 16.627,980 4.89,983 1.526,984 6.886,987 475.645,988 41.5,993 12.609,997 0.224,999 49.771,1000 55.487,1001 0.269,1002 0.62,1003 0.77,1004 0.862,1005 0.881,1006 0.881,1007 5.032,1008 1.47,1009 5.994,1010 4.649,1011 4.575,1012 5.059,1013 1.903,1014 6.882,1015 4.492,1016 6.262,1017 1.392,1018 7.6,1019 4.279,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.274,1025 7.596,1026 1.13,1027 9.311,1028 3.296,1029 6.286,1030 7.242,1031 2.065,1032 11.095,1033 6.137,1034 8.961,1035 1,1036 11.082,1037 2.675,1038 6.868,1039 7.888,1040 0.268,1041 13.014,1042 6.702,1043 10.357,1044 0.846,1045 12.891,1046 2.388,1047 8.305,1048 9.709,1049 2.377,1050 15.634,1051 8.102,1052 11.773,1053 0.704,1054 14.723,1055 2.136,1056 9.223,1057 10.722,1058 0.188,1059 17.842,1060 9,1061 13.205,1062 -0.182,1063 16.571,1064 1.835,1065 10.486,1066 12.328,1067 2.77,1068 20.324,1069 10.235,1070 3.349,1071 -0.308,1072 18.432,1073 -0.51,1074 11.549,1075 13.529,1076 0.125,1077 22.65,1078 11.279,1079 3.154,1080 11.552,1081 20.301,1082 -0.886,1083 12.75,1084 15.033,1085 3.207,1086 25.086,1087 12.459,1088 2.861,1089 10.943,1090 22.177,1091 4.176,1092 13.877,1093 16.332,1094 0.082,1095 27.464,1096 13.568,1097 2.702,1098 9.578,1099 24.058,1100 4.023,1101 15.059,1102 17.788,1103 3.668,1104 29.887,1105 14.733,1106 2.298,1107 8.935,1108 25.943,1109 3.556,1110 16.215,1111 19.139,1112 0.054,1113 32.289,1114 15.873,1115 1.935,1116 7.46,1117 27.832,1118 3.193,1119 17.394,1120 20.572,1121 4.142,1122 34.71,1123 17.037,1124 1.827,1125 5.848,1126 29.725,1127 2.839,1128 18.565,1129 21.951,1130 0.035,1131 37.125,1132 18.194,1133 9024,1134 13927,1135 21.671,1136 35.182,1137 50.238,1138 50.994,1139 50.012,1140 49.238,1141 49.336,1142 62.989,1143 5.875,1144 151.147,1145 47.184,1146 5.516,1147 5.735,1148 6.683,1149 5.47,1150 5.349,1151 7.176,1152 2.555,1153 18.895,1154 5.302,1155 11.806,1156 1.57,1157 1.594,1158 1.563,1159 1.539,1160 1.542,1161 1.968,1162 0.184,1163 4.723,1164 1.474,1165 4.067,1166 4.09,1167 4.279,1168 4.009,1169 7.427,1170 3.992,1171 3.956,1172 3.978,1173 3.954,1174 3.915,1175 4.92,1176 3.891,1177 3.799,1178 3.833,1179 3.726,1180 3.704,1181 4.758,1182 3.705,1183 3.563,1184 3.604,1185 3.605,1186 3.508,1187 4.682,1188 3.458,1189 3.409,1190 3.464,1191 3.293,1192 3.256,1193 4.257,1194 3.248,1195 3.181,1196 3.214,1197 3.094,1198 2.957,1199 4.215,1200 2.979,1201 2.955,1202 3.009,1203 2.848,1204 2.833,1205 3.804,1206 2.827,1207 2.874,1208 3.009,1209 2.774,1210 2.742,1211 3.674,1212 2.729,1213 0.143,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.735,1221 0.04,1222 6.881,1223 0.361,1224 4.329,1225 0.103,1226 3.349,1227 4.176,1228 1.277,1229 11.552,1230 3.302,1231 1.995,1232 1.975,1233 2.086,1234 2.08,1235 1.375,1236 2.081,1237 1.883,1238 1.852,1239 2.048,1240 2.002,1241 1.23,1242 2.02,1243 1.788,1244 1.759,1245 1.914,1246 1.914,1247 1.071,1248 1.92,1249 1.466,1250 1.421,1251 1.682,1252 1.628,1253 0.872,1254 1.651,1255 1.336,1256 1.307,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.184,1262 1.136,1263 1.417,1264 1.394,1265 0.584,1266 1.391,1267 0.975,1268 0.932,1269 1.36,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.878,1275 1.181,1276 1.175,1277 0.391,1278 1.199,1279 4.174,1281 5.549,1282 2.398,1283 7.119,1284 4.727,1285 8.778,1286 6.862,1287 10.484,1289 4.284,1295 2.794,1297 5.891,1300 2.203,1301 -0.015,1305 32.928,1306 76.043,1307 174.89,1308 217.173,1309 243.173,1310 248.683,1311 248.683,1312 42.39,1313 8.266,1314 42.43,1315 70.67,1316 29,1317 12.863,1318 4.248,1319 3.392,1320 37.545,1321 100,1322 104,1323 0.183,1324 200.793,1325 346.29,1326 481.694,1327 46493,1329 19.303,1330 0.689,1331 0.603,1332 19.656,1333 16.883,1334 13.5,1335 0.422,1336 0.326,1337 9.612,1338 12.739,1339 9.214,1340 7.618,1341 13.908,1342 10.445,1343 13.195,1344 0.275,1345 0.192,1346 13.811,1347 9.239,1348 10.879,1349 0.167,1350 0.101,1351 11.769,1352 6.546,1353 9.933,1354 0.108,1355 0.056,1356 10.84,1357 5.109,1358 8.066,1359 0.067,1360 0.032,1361 9.036,1362 3.864,1363 0.281,1364 87.513,1365 0.215,1366 26.263,1367 0.52,1368 160,1369 405.622,1370 197.239,1371 415.896,1372 583.07,1373 392,1374 193,1375 425.172,1376 230.308,1377 449.022,1378 667.94,1379 423,1380 5.574}
{0 CHEMBL469201,1 1.608,2 7.955,3 3.663,4 13.42,5 87.307,6 7.861,7 0.44,8 3.804,9 3.905,10 3.487,11 3.422,12 4.825,13 3.369,14 4.388,15 4.548,16 3.953,17 3.857,18 5.353,19 3.794,20 4.654,21 4.827,22 4.018,23 4.021,24 5.643,25 3.915,26 4.785,27 5.037,28 3.93,29 3.994,30 5.725,31 3.837,32 4.477,33 4.664,34 3.768,35 3.78,36 5.567,37 3.646,38 4.247,39 4.431,40 3.434,41 3.631,42 5.129,43 3.475,44 4.167,45 4.365,46 3.291,47 3.472,48 5.145,49 3.386,50 4.262,51 4.467,52 3.175,53 3.46,54 5.31,55 3.333,57 0.574,58 8.317,59 4.066,60 4.662,61 4.958,62 0.141,63 1.02,64 18.253,65 7.026,66 14.825,67 8.827,68 0.244,69 1.279,70 24.247,71 9.437,72 28.264,73 11.46,74 0.287,75 1.429,76 36.228,77 12.287,78 38.498,79 14.953,80 0.462,81 1.097,82 25.111,83 7.767,84 49.554,85 8.551,86 0.1,87 0.877,88 22.125,89 7.803,90 10.45,91 8.811,92 0.135,93 0.738,94 14.38,95 5.551,96 17.806,97 7.099,98 0.237,99 0.743,100 15.503,101 6.468,102 36.432,103 8.344,104 10,105 38,106 0.286,107 0.62,108 0.77,109 0.823,110 0.832,111 0.832,112 3.148,113 1.005,114 -4.34,115 -4.28,116 -4.03,119 42.5,120 2,121 2,123 1,125 2,142 4,144 2,146 1,152 1,157 1,162 1,172 7,174 1,175 6,183 8,186 1,187 7,195 3,198 1,199 10,207 2,211 2,212 5,220 4,224 3,232 2,237 2,245 4,249 1,250 4,258 7,263 3,271 6,275 558,276 14.671,277 14.671,278 14.671,279 14.671,280 14.671,281 13.283,282 20.393,283 8.38,284 15.091,285 12.38,286 12.38,287 12.38,288 12.38,289 12.38,290 10.156,291 28.335,292 3.999,293 13.123,294 3.714,295 1.833,296 0.988,297 0.688,298 0.638,299 0.638,300 3.844,303 1,304 1,305 1,306 387,307 2.55,310 36.864,311 143.298,314 72.422,315 80.168,318 1.149,319 19.684,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47,331 175,332 4.561,333 3.735,334 6.88,335 4.329,336 3.348,337 4.16,338 1.277,339 11.549,340 3.302,341 4.331,342 3.392,343 6.694,344 4.052,345 3.122,346 3.855,347 0.86,348 10.866,349 2.895,350 4.034,351 3.08,352 6.308,353 3.74,354 2.793,355 3.198,356 0.8,357 9.511,358 2.641,359 3.613,360 2.834,361 5.697,362 3.262,363 2.317,364 2.83,366 7.507,367 2.175,368 3.257,369 2.461,370 5.117,371 2.929,372 1.933,373 2.413,375 5.847,376 1.906,377 2.946,378 1.957,379 4.575,380 2.552,381 1.618,382 2.111,384 4.357,385 1.502,386 2.825,387 1.585,388 4.023,389 2.361,390 1.432,391 1.947,393 3.554,394 1.322,395 2.457,396 1.37,397 3.795,398 2.206,399 1.25,400 1.45,402 2.789,403 1.181,404 2.307,405 1.246,406 3.582,407 1.723,408 0.843,409 1.172,411 2.382,412 0.717,413 1.969,414 0.9,415 3.301,416 1.606,417 0.684,418 0.856,420 1.703,421 0.624,422 1.034,423 0.549,424 3.196,425 0.751,426 -0.226,427 -0.26,428 -0.678,429 -0.216,430 0.839,431 -0.035,432 2.794,433 0.576,434 -0.433,435 -0.49,436 -1.161,437 -0.396,438 0.741,439 -0.197,440 2.539,441 0.494,442 -0.463,443 -0.557,445 -1.303,446 -0.477,447 0.68,448 -0.293,449 2.273,450 0.316,451 -0.618,452 -0.73,454 -1.478,455 -0.569,456 0.407,457 -0.835,458 2,459 0.004,460 -0.964,461 -1,463 -2.391,464 -0.927,465 10.8,466 0.491,467 0.724,468 0.033,469 27,470 1.227,471 12.5,472 0.568,473 14.5,474 0.659,475 20.727,476 0.942,477 23.4,478 0.585,479 16.181,480 0.736,481 4.689,482 0.213,483 5.845,484 0.266,485 0.123,486 0.046,487 0.315,493 0.712,494 1.226,495 0.716,496 0.964,497 0.569,498 0.924,499 0.88,500 1.039,501 0.711,502 0.867,503 0.598,504 0.792,505 1.088,506 1.182,507 0.964,508 1.053,509 1.06,510 1.105,511 0.802,512 1.01,513 1.085,514 1.038,515 0.715,516 0.85,517 1.691,518 0.911,519 1.498,520 1.037,521 2.156,522 1.039,523 0.798,524 1.302,525 1.776,526 1.639,527 0.639,528 1.276,529 1.179,530 0.863,531 0.894,532 0.897,533 1.351,534 0.997,535 1.09,536 1.017,537 0.834,538 1.002,539 1.396,540 1.201,541 5.5,542 0.025,543 2.889,544 2.194,545 1.561,546 0.643,547 0.467,548 0.333,549 0.243,550 0.107,551 4760,552 11530,553 2.136,554 45,555 6,556 8,560 4,564 1.648,565 1.985,566 3.007,567 -0.762,569 1,571 1,573 64.332,574 1.608,575 3.489,576 4.334,577 4.634,578 4.684,579 4.684,580 2.431,581 4.187,582 4.436,583 3.117,584 719.939,585 7.632,586 7586.48,587 1,588 1,589 1,590 1,591 212.877,592 1.62,593 4.378,594 0.22,595 0.012,596 0.076,597 0.059,598 0.046,599 0.025,600 0.021,601 0.016,602 0.014,603 0.012,604 0.502,605 0.33,606 1,607 0.595,608 98.726,610 -0.142,611 0.085,612 -0.006,613 -0.026,614 0.015,615 0.042,616 0.02,617 0.203,618 0.099,619 0.042,620 0.152,621 -0.048,622 -0.149,623 -0.043,624 -0.101,625 -0.109,626 -0.171,627 0.083,628 -0.016,629 0.118,630 0.058,631 0.162,632 0.166,633 -0.245,634 0.231,635 -0.258,636 0.042,637 -0.362,638 -0.132,639 -0.08,640 -0.223,641 -0.4,642 -0.374,643 -0.006,644 -0.246,645 -0.154,646 0.108,647 -0.143,648 -0.054,649 -0.065,650 -0.064,651 0.079,652 -0.172,653 -0.142,654 -0.183,655 0.049,656 -0.248,657 1.434,658 5.37,659 0.864,660 14,661 1,662 1.116,663 3.111,664 9.677,665 0.691,666 3.258,667 3.664,668 3.951,669 4.304,670 4.543,671 4.673,672 4.804,673 4.97,674 5.05,675 5.037,676 4.898,677 0.647,678 314.44,679 3.258,680 4.844,681 5.72,682 6.648,683 7.541,684 8.47,685 9.37,686 10.299,687 11.203,688 12.132,689 5,697 1,699 1,704 4,705 1,708 1,709 5,711 11,716 1,726 1,729 1,731 40,733 12,734 1,735 25,737 43,738 17,739 9,740 2,741 4,742 1,746 4,747 6,752 2,753 1,754 1,755 2,758 2,761 10,762 7,766 1,771 1,775 1,777 1,778 1,781 18,782 4,784 5,785 1,790 2,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,844 2,848 22,854 4,856 1,859 1,860 1,863 1,870 5,873 1,875 1,877 11.083,878 7.983,879 4.556,880 2.487,881 2.21,882 1.297,883 0.991,884 3.261,885 9.647,886 3.481,887 4.09,888 4.641,889 5.241,890 5.664,891 5.953,892 6.288,893 6.64,894 6.917,895 7.11,896 1,897 37,898 8.19,900 3.61,901 7.617,902 15.986,904 13.907,905 2.117,906 46.583,907 0.001,909 1,910 211.88,911 116.35,912 19.91,914 36.145,916 31.278,917 85.072,918 248.025,919 19.91,920 17.65,921 11.767,922 37.905,923 47.064,924 25.382,925 1.358,926 243.158,928 211.88,929 104.982,930 36.145,931 31.278,933 211.88,934 36.145,937 35.799,938 52.397,939 16.786,940 31.278,941 211.88,942 56.055,943 116.35,946 211.88,947 60.794,948 58.68,950 52.93,951 211.88,952 56.055,953 116.35,955 0.602,956 0.347,957 0.2,958 0.109,959 22,960 9,961 0.023,962 1,963 2,964 1.211,965 3.354,966 188.392,967 0.211,968 19,969 96.107,970 1,974 14.194,975 5.054,976 2.47,978 56.055,979 7.994,980 4.787,983 1.524,984 4.635,987 384.284,988 31.5,993 12.37,997 0.233,999 40.003,1000 44.657,1001 0.302,1002 0.656,1003 0.814,1004 0.871,1005 0.88,1006 0.88,1007 4.777,1008 1.25,1009 5.771,1010 3.554,1011 4.344,1012 4.775,1013 1.903,1014 6.676,1015 4.238,1016 6.009,1017 0.843,1018 7.39,1019 2.789,1020 4.205,1021 4.705,1022 0.325,1023 7.888,1024 4.091,1025 7.35,1026 0.684,1027 9.113,1028 2.382,1029 6.08,1030 6.942,1031 2.065,1032 10.934,1033 5.894,1034 8.722,1035 -0.226,1036 10.897,1037 1.703,1038 6.711,1039 7.646,1040 0.268,1041 12.89,1042 6.513,1043 10.124,1044 -0.433,1045 12.717,1046 -0.678,1047 8.13,1048 9.408,1049 2.377,1050 15.513,1051 7.883,1052 11.546,1053 -0.463,1054 14.56,1055 -1.161,1056 9.08,1057 10.466,1058 0.188,1059 17.743,1060 8.819,1061 12.983,1062 -0.618,1063 16.418,1064 -1.303,1065 10.339,1066 12.033,1067 2.77,1068 20.231,1069 10.044,1070 3.348,1071 -0.964,1072 18.288,1073 -1.478,1074 11.422,1075 13.264,1076 0.125,1077 22.57,1078 11.112,1079 3.122,1080 11.549,1081 20.166,1082 -2.391,1083 12.626,1084 14.744,1085 3.207,1086 25.012,1087 12.292,1088 2.793,1089 10.866,1090 22.05,1091 4.16,1092 13.765,1093 16.061,1094 0.082,1095 27.398,1096 13.418,1097 2.317,1098 9.511,1099 23.939,1100 3.855,1101 14.952,1102 17.502,1103 3.668,1104 29.826,1105 14.588,1106 1.933,1107 7.507,1108 25.832,1109 3.198,1110 16.116,1111 18.862,1112 0.054,1113 32.232,1114 15.741,1115 1.618,1116 5.847,1117 27.728,1118 2.83,1119 17.3,1120 20.286,1121 4.142,1122 34.657,1123 16.912,1124 1.432,1125 4.357,1126 29.627,1127 2.413,1128 18.477,1129 21.669,1130 0.035,1131 37.074,1132 18.078,1133 4511,1134 7153,1135 16.701,1136 27.659,1137 39.4,1138 40.337,1139 39.458,1140 38.561,1141 38.683,1142 47.982,1143 5.875,1144 120.131,1145 36.527,1146 5.511,1147 5.735,1148 6.569,1149 5.468,1150 5.348,1151 7.16,1152 2.555,1153 18.89,1154 5.302,1155 9.799,1156 1.576,1157 1.613,1158 1.578,1159 1.542,1160 1.547,1161 1.919,1162 0.235,1163 4.805,1164 1.461,1165 4.041,1166 4.065,1167 4.278,1168 3.984,1169 7.427,1170 3.953,1171 3.904,1172 3.93,1173 3.867,1174 3.822,1175 4.904,1176 3.819,1177 3.578,1178 3.624,1179 3.614,1180 3.515,1181 4.726,1182 3.465,1183 3.42,1184 3.475,1185 3.3,1186 3.257,1187 4.324,1188 3.249,1189 3.181,1190 3.214,1191 3.093,1192 2.957,1193 4.215,1194 2.978,1195 2.94,1196 3.009,1197 2.823,1198 2.775,1199 3.804,1200 2.772,1201 2.874,1202 3.002,1203 2.753,1204 2.662,1205 3.467,1206 2.622,1207 2.78,1208 2.86,1209 2.591,1210 2.618,1211 3.431,1212 2.57,1213 0.182,1214 0.149,1215 0.275,1216 0.173,1217 0.134,1218 4.561,1219 0.166,1220 3.735,1221 0.051,1222 6.88,1223 0.462,1224 4.329,1225 0.132,1226 3.348,1227 4.16,1228 1.277,1229 11.549,1230 3.302,1231 1.911,1232 1.886,1233 2.048,1234 2.041,1235 1.375,1236 2.034,1237 1.883,1238 1.852,1239 2.014,1240 2,1241 1.176,1242 2.019,1243 1.485,1244 1.436,1245 1.71,1246 1.668,1247 0.922,1248 1.689,1249 1.336,1250 1.308,1251 1.526,1252 1.498,1253 0.693,1254 1.519,1255 1.184,1256 1.136,1257 1.417,1258 1.394,1259 0.584,1260 1.391,1261 0.972,1262 0.929,1263 1.36,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.178,1270 1.175,1271 0.391,1272 1.2,1273 0.842,1274 0.793,1275 1.021,1276 0.992,1277 0.2,1278 1.041,1279 3.932,1281 5.313,1282 2.398,1283 6.889,1284 4.727,1285 8.555,1286 6.862,1287 10.27,1289 4.272,1295 2.888,1297 5.7,1300 2.169,1301 0.012,1305 25.874,1306 64.332,1307 139.574,1308 173.367,1309 185.367,1310 187.367,1311 187.367,1312 33.146,1313 7.437,1314 42.43,1315 70.67,1316 23,1317 12.639,1318 3.7,1319 2.907,1320 29.803,1321 65,1322 54,1323 0.233,1324 159.414,1325 273.67,1326 380.731,1327 16004,1329 15.32,1330 0.696,1331 0.617,1332 15.673,1333 13.573,1334 10.534,1335 0.421,1336 0.335,1337 7.541,1338 9.773,1339 7.198,1340 5.947,1341 10.942,1342 8.374,1343 10.508,1344 0.277,1345 0.202,1346 11.124,1347 7.659,1348 8.442,1349 0.166,1350 0.105,1351 9.332,1352 5.345,1353 7.873,1354 0.108,1355 0.058,1356 8.78,1357 4.251,1358 6.213,1359 0.067,1360 0.035,1361 7.189,1362 3.223,1363 0.351,1364 69.715,1365 0.245,1366 21.098,1367 0.683,1368 126,1369 337.622,1370 163.239,1371 344.315,1372 478.29,1373 324,1374 152,1375 343.172,1376 189.308,1377 362.757,1378 541.27,1379 341,1380 6.17}
{0 CHEMBL469202,1 1.629,2 10.759,3 3.335,4 11.12,5 113.274,6 7.972,7 0.515,8 4.051,9 4.159,10 3.73,11 3.651,12 5.116,13 3.613,14 4.61,15 4.771,16 4.189,17 4.07,18 5.649,19 4.025,20 4.857,21 5.034,22 4.256,23 4.237,24 5.887,25 4.159,26 4.97,27 5.198,28 4.175,29 4.249,30 5.956,31 4.116,32 4.805,33 5.011,34 4.084,35 4.111,36 5.844,37 3.995,38 4.615,39 4.789,40 3.958,41 4.024,42 5.566,43 3.916,44 4.633,45 4.809,46 3.954,47 3.979,48 5.683,49 3.909,50 4.758,51 4.97,52 3.882,53 3.988,54 5.791,55 3.874,56 0.016,57 0.769,58 10.078,59 4.799,60 6.75,61 5.872,62 0.22,63 1.318,64 21.578,65 8.17,66 21.914,67 10.379,68 0.36,69 1.65,70 28.429,71 10.186,72 33.628,73 12.592,74 0.311,75 1.752,76 38.662,77 14.1,78 43.095,79 17.541,80 0.529,81 1.517,82 32.44,83 10.749,84 56.472,85 12.634,86 0.15,87 1.295,88 27.156,89 10.08,90 13.855,91 11.719,92 0.264,93 1.26,94 22.26,95 8.412,96 29.354,97 10.295,98 0.461,99 1.366,100 28.624,101 10.186,102 50.971,103 12.84,104 17,105 50,106 0.271,107 0.638,108 0.807,109 0.845,110 0.851,111 0.851,112 3.409,113 0.955,114 -4.09,115 -4.04,116 -3.82,119 43.1,120 3,121 1,125 2,130 1,142 5,143 2,144 2,145 1,146 2,152 1,158 1,162 1,172 6,174 1,175 8,178 1,180 3,183 10,186 1,187 7,192 1,195 7,198 1,199 12,202 1,207 5,211 2,212 6,215 1,220 6,223 1,224 6,232 5,236 1,237 4,242 1,245 4,249 2,250 5,253 1,255 2,258 5,263 5,268 2,271 5,275 1318,276 19.342,277 19.342,278 19.342,279 19.342,280 19.342,281 17.268,282 26.447,283 10.964,284 19.895,285 16.317,286 16.317,287 16.317,288 16.317,289 16.317,290 13.038,291 41.001,292 5.249,293 17.271,294 4.043,295 1.838,296 0.821,297 0.593,298 0.554,299 0.554,300 4.117,304 1,305 1,306 693,307 2.828,310 52.419,311 287.953,314 103.267,315 114.839,318 1.698,319 24.39,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62,331 312,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.177,338 1.058,339 11.552,340 3.216,341 4.408,342 3.406,343 6.712,344 4.098,345 3.155,346 4.032,347 0.86,348 10.943,349 2.996,350 4.142,351 3.134,352 6.32,353 3.823,354 2.869,355 3.64,356 0.8,357 9.579,358 2.723,359 4.009,360 2.898,361 6.12,362 3.684,363 2.723,364 3.209,366 8.953,367 2.598,368 3.681,369 2.782,370 5.682,371 3.3,372 2.345,373 3.027,375 7.466,376 2.236,377 3.559,378 2.475,379 5.117,380 3.179,381 2.228,382 2.804,384 6.08,385 2.1,386 3.249,387 2.444,388 5.04,389 2.906,390 1.93,391 2.402,393 5.847,394 1.866,395 2.905,396 1.877,397 4.589,398 2.5,399 1.556,400 2.065,402 4.437,403 1.463,404 2.826,405 1.587,406 4.332,407 2.363,408 1.431,409 1.948,411 4.033,412 1.326,413 2.5,414 1.423,415 3.962,416 2.242,417 1.292,418 1.5,420 3.212,421 1.21,422 2.474,423 1.248,424 3.794,425 1.959,426 1,427 1.47,428 2.391,429 0.956,430 2.31,431 1,432 3.414,433 1.724,434 0.849,435 1.176,436 2.275,437 0.72,438 2.006,439 0.926,440 3.379,441 1.631,442 0.713,443 0.898,445 1.856,446 0.645,447 1.225,448 0.457,449 3.227,450 0.903,451 -0.062,452 -0.075,454 -0.148,455 -0.06,456 1.031,457 0.165,458 2.794,459 0.727,460 -0.242,461 -0.281,463 -0.711,464 -0.231,465 14.1,466 0.486,467 0.95,468 0.033,469 38,470 1.31,471 18.5,472 0.638,473 19.5,474 0.672,475 27.43,476 0.946,477 30.3,478 0.594,479 26.764,480 0.923,481 6.972,482 0.24,483 6.922,484 0.239,485 0.13,486 0.035,487 0.348,493 0.781,494 1.255,495 0.717,496 0.96,497 0.634,498 0.897,499 0.864,500 1.096,501 0.696,502 0.859,503 0.563,504 0.77,505 1.213,506 1.071,507 1.004,508 0.979,509 1.027,510 1.019,511 0.77,512 1.064,513 1.075,514 1.114,515 0.771,516 0.981,517 1.339,518 0.857,519 1.254,520 0.966,521 1.813,522 0.946,523 0.861,524 1.229,525 1.454,526 1.433,527 0.605,528 1.151,529 1.339,530 1.054,531 1.006,532 0.987,533 1.219,534 1.029,535 1.115,536 0.996,537 1.054,538 1.045,539 1.214,540 1.074,541 7.5,542 0.164,543 4,544 2.382,545 1.974,546 1.199,547 0.73,548 0.457,549 0.446,550 0.318,551 10742,552 26703,553 2.141,554 43.1,556 9,558 1,559 1,560 5,561 6,564 1.722,565 1.989,566 3.4,567 -0.336,568 1,569 1,573 83.079,574 1.629,575 3.835,576 4.851,577 5.079,578 5.118,579 5.118,580 2.902,581 4.513,582 4.829,583 3.539,584 1436.72,585 8.424,586 18743.7,588 1,590 1,591 289.294,592 1.599,593 4.779,594 0.227,595 0.009,596 0.08,597 0.048,598 0.043,599 0.03,600 0.019,601 0.012,602 0.013,603 0.012,604 0.492,605 0.5,606 0.88,607 0.562,608 145.397,609 -0.027,610 -0.149,611 0.077,612 -0.009,613 -0.061,614 0.017,615 0.097,616 -0.022,617 0.219,618 0.105,619 0.119,620 0.161,621 -0.136,622 0.012,623 -0.075,624 -0.037,625 -0.147,626 -0.108,627 0.087,628 -0.087,629 0.056,630 -0.03,631 0.127,632 0.041,633 -0.11,634 0.203,635 -0.096,636 0.094,637 -0.265,638 0.006,639 -0.025,640 -0.164,641 -0.223,642 -0.256,643 0.025,644 -0.152,645 -0.133,646 -0.026,647 -0.124,648 -0.068,649 -0.077,650 -0.112,651 0.076,652 -0.037,653 -0.087,654 -0.081,655 0.015,656 -0.108,657 1.701,658 5.519,659 0.862,660 25.46,661 1.002,662 1.119,663 2.863,664 8.199,665 0.695,666 3.526,667 3.932,668 4.22,669 4.554,670 4.836,671 5.004,672 5.165,673 5.357,674 5.521,675 5.624,676 6.306,677 0.656,678 406.55,679 3.526,680 5.118,681 5.994,682 6.915,683 7.808,684 8.731,685 9.631,686 10.556,687 11.461,688 12.386,689 7.8,696 1,697 1,699 2,704 6,705 2,708 1,709 8,711 17,718 1,726 1,729 1,731 51,733 18,734 1,735 33,737 55,738 22,739 14,740 3,741 3,742 1,746 5,747 7,752 3,755 1,756 1,758 1,761 15,762 7,763 1,766 1,771 1,775 1,778 1,781 22,782 6,783 1,784 7,785 1,790 4,794 0.6,795 2,805 1,811 1,812 4,815 1,816 1,840 3,842 1,844 3,848 29,854 3,855 1,856 1,859 1,860 1,863 1,870 3.9,873 1,875 1,877 14.583,878 10.35,879 6,880 3.097,881 3.201,882 1.383,883 1.007,884 4.447,885 11.565,886 3.773,887 4.41,888 4.986,889 5.594,890 6.108,891 6.456,892 6.86,893 7.268,894 7.671,895 8.018,896 1,897 50,898 10.755,900 4.719,901 7.624,902 20.825,904 17.842,905 2.124,906 61.583,908 1,909 1,910 247.193,911 149.863,912 54.706,914 36.145,916 31.278,917 118.586,918 283.338,919 54.706,920 26.476,921 27.243,922 47.381,923 75.192,924 43.557,925 1.358,926 266.7,928 247.193,929 173.292,930 36.145,931 31.278,933 176.567,934 106.771,937 71.905,938 67.816,939 33.571,940 31.278,941 247.193,942 90.851,943 149.863,946 247.193,947 66.959,948 86.029,949 18.011,950 69.716,951 247.193,952 90.851,953 149.863,955 0.604,956 0.346,957 0.19,958 0.108,959 28,960 12,961 0.036,962 2,963 2,964 1.16,965 3.977,966 277.354,967 0.16,968 25,969 138.881,970 1,974 18.712,975 6.892,976 3.449,978 90.851,979 12.146,980 9.26,983 1.453,984 7.364,986 18.011,987 487.907,988 42.5,993 12.519,997 -0.034,999 51.091,1000 57.069,1001 0.287,1002 0.676,1003 0.855,1004 0.895,1005 0.902,1006 0.902,1007 5.064,1008 1.556,1009 6.038,1010 5.847,1011 4.615,1012 5.097,1013 1.737,1014 6.925,1015 4.51,1016 6.303,1017 1.431,1018 7.646,1019 4.437,1020 4.443,1021 5.017,1022 0.325,1023 8.072,1024 4.313,1025 7.643,1026 1.292,1027 9.356,1028 4.033,1029 6.33,1030 7.293,1031 1.622,1032 11.119,1033 6.132,1034 9.011,1035 1,1036 11.123,1037 3.212,1038 6.919,1039 7.967,1040 0.268,1041 13.027,1042 6.688,1043 10.408,1044 0.849,1045 12.925,1046 2.391,1047 8.341,1048 9.762,1049 1.587,1050 15.645,1051 8.056,1052 11.823,1053 0.713,1054 14.752,1055 2.275,1056 9.257,1057 10.788,1058 0.188,1059 17.848,1060 8.932,1061 13.254,1062 -0.062,1063 16.595,1064 1.856,1065 10.512,1066 12.38,1067 1.592,1068 20.328,1069 10.141,1070 3.349,1071 -0.242,1072 18.451,1073 -0.148,1074 11.572,1075 13.585,1076 0.125,1077 22.652,1078 11.159,1079 3.155,1080 11.552,1081 20.316,1082 -0.711,1083 12.769,1084 15.081,1085 1.624,1086 25.088,1087 12.312,1088 2.869,1089 10.943,1090 22.189,1091 4.177,1092 13.893,1093 16.381,1094 0.082,1095 27.465,1096 13.394,1097 2.723,1098 9.579,1099 24.068,1100 4.032,1101 15.072,1102 17.832,1103 1.676,1104 29.888,1105 14.531,1106 2.345,1107 8.953,1108 25.951,1109 3.64,1110 16.226,1111 19.183,1112 0.054,1113 32.289,1114 15.643,1115 2.228,1116 7.466,1117 27.839,1118 3.209,1119 17.404,1120 20.613,1121 1.742,1122 34.711,1123 16.779,1124 1.93,1125 6.08,1126 29.73,1127 3.027,1128 18.573,1129 21.991,1130 0.035,1131 37.125,1132 17.908,1133 9992,1134 15926,1135 22.076,1136 35.432,1137 51.788,1138 52.42,1139 52.292,1140 50.765,1141 50.882,1142 64.694,1143 5.437,1144 157.249,1145 48.109,1146 5.517,1147 5.726,1148 6.409,1149 5.45,1150 5.349,1151 7.177,1152 2.117,1153 18.895,1154 5.216,1155 14.201,1156 1.569,1157 1.588,1158 1.585,1159 1.538,1160 1.542,1161 1.96,1162 0.165,1163 4.765,1164 1.458,1165 4.061,1166 4.087,1167 4.277,1168 3.99,1169 7.429,1170 3.978,1171 3.943,1172 3.971,1173 3.956,1174 3.884,1175 4.951,1176 3.859,1177 3.798,1178 3.839,1179 3.735,1180 3.675,1181 4.825,1182 3.684,1183 3.555,1184 3.604,1185 3.586,1186 3.47,1187 4.715,1188 3.431,1189 3.419,1190 3.473,1191 3.309,1192 3.265,1193 4.291,1194 3.258,1195 3.145,1196 3.217,1197 3.079,1198 3.008,1199 4.276,1200 2.989,1201 3.125,1202 3.164,1203 2.96,1204 2.841,1205 3.829,1206 2.89,1207 2.924,1208 3.009,1209 2.802,1210 2.743,1211 3.802,1212 2.744,1213 0.138,1214 0.113,1215 0.209,1216 0.131,1217 0.101,1218 4.567,1219 0.127,1220 3.726,1221 0.032,1222 6.881,1223 0.35,1224 4.307,1225 0.097,1226 3.349,1227 4.177,1228 1.058,1229 11.552,1230 3.216,1231 1.98,1232 1.959,1233 2.064,1234 2.08,1235 1.262,1236 2.076,1237 1.825,1238 1.786,1239 1.991,1240 1.987,1241 1.219,1242 1.991,1243 1.77,1244 1.734,1245 1.9,1246 1.923,1247 1.048,1248 1.92,1249 1.474,1250 1.427,1251 1.696,1252 1.644,1253 0.883,1254 1.666,1255 1.335,1256 1.308,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.181,1262 1.133,1263 1.491,1264 1.38,1265 0.58,1266 1.416,1267 1.156,1268 1.09,1269 1.417,1270 1.362,1271 0.469,1272 1.362,1273 0.934,1274 0.831,1275 1.206,1276 1.239,1277 0.445,1278 1.308,1279 4.205,1281 5.587,1282 2.398,1283 7.159,1284 4.727,1285 8.817,1286 6.862,1287 10.521,1289 6.033,1295 2.011,1296 3.064,1297 5.882,1300 2.16,1301 -0.274,1305 33.444,1306 83.079,1307 195.571,1308 247.419,1309 259.029,1310 261.029,1311 261.029,1312 43.81,1313 8.365,1314 67.35,1315 95.59,1316 29,1317 12.895,1318 4.248,1319 3.392,1320 39.523,1321 108,1322 124,1323 0.178,1324 204.789,1325 350.99,1326 491.445,1327 52560,1329 20.173,1330 0.696,1331 0.602,1332 20.527,1333 17.468,1334 13.894,1335 0.421,1336 0.318,1337 9.643,1338 12.997,1339 9.218,1340 7.632,1341 14.302,1342 10.509,1343 13.817,1344 0.276,1345 0.183,1346 14.433,1347 9.135,1348 11.29,1349 0.169,1350 0.095,1351 12.18,1352 6.371,1353 10.085,1354 0.107,1355 0.051,1356 10.992,1357 4.831,1358 8.29,1359 0.066,1360 0.029,1361 9.26,1362 3.635,1363 0.275,1364 90.711,1365 0.213,1366 27.12,1367 0.502,1368 166,1369 447.6,1370 207.457,1371 454.82,1372 637.06,1373 428,1374 200,1375 469.89,1376 241.249,1377 492.594,1378 730.22,1379 463,1380 6.936}
{0 CHEMBL469208,1 1.709,2 10.107,3 2.526,4 6.378,5 104.664,6 8.373,7 0.531,8 3.988,9 4.094,10 3.708,11 3.573,12 5.09,13 3.55,14 4.539,15 4.695,16 4.162,17 3.986,18 5.627,19 3.956,20 4.783,21 4.96,22 4.225,23 4.138,24 5.838,25 4.075,26 4.876,27 5.104,28 4.151,29 4.142,30 5.903,31 4.032,32 4.682,33 4.859,34 4.067,35 4.032,36 5.796,37 3.934,38 4.569,39 4.742,40 3.928,41 3.951,42 5.558,43 3.844,44 4.551,45 4.746,46 3.919,47 3.835,48 5.632,49 3.795,50 4.598,51 4.787,52 3.812,53 3.847,54 5.705,55 3.765,56 0.047,57 0.748,58 8.433,59 4.222,60 6.671,61 4.931,62 0.286,63 1.267,64 18.744,65 7.147,66 24.206,67 8.696,68 0.409,69 1.55,70 25.212,71 9.095,72 33.25,73 10.769,74 0.431,75 1.621,76 35.732,77 12.223,78 43.657,79 14.766,80 0.579,81 1.386,82 26.793,83 9.149,84 54.289,85 9.882,86 0.247,87 1.241,88 25.682,89 9.526,90 18.07,91 10.927,92 0.356,93 1.204,94 21.031,95 6.839,96 32.11,97 8.385,98 0.47,99 1.158,100 20.921,101 7.956,102 47.264,103 9.546,104 10,105 48,106 0.289,107 0.668,108 0.804,109 0.832,110 0.832,111 0.832,112 3.376,113 0.934,114 -3.7,115 -3.67,116 -3.49,119 42.6,120 2,121 1,125 2,130 1,142 4,143 1,144 2,145 2,146 1,149 1,152 1,158 1,162 1,172 3,174 2,175 9,178 1,180 3,183 5,186 1,187 9,192 1,195 2,198 1,199 11,202 1,207 2,211 4,212 3,215 1,220 6,223 2,224 3,232 3,236 2,237 5,242 1,245 2,249 1,250 3,253 1,255 2,258 3,263 6,268 1,271 5,275 1186,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.845,282 24.022,283 10.878,284 19.508,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.633,291 39.53,292 5.212,293 16.908,294 3.846,295 1.602,296 0.798,297 0.628,298 0.628,299 0.628,300 4.086,304 1,305 1,306 632,307 2.739,310 49.674,311 272.601,314 97.954,315 108.228,318 1.551,319 26.078,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 283,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.176,338 1.058,339 11.552,340 3.216,341 4.406,342 3.406,343 6.712,344 4.094,345 3.154,346 4.023,347 0.86,348 10.943,349 2.972,350 4.12,351 3.134,352 6.32,353 3.799,354 2.861,355 3.556,356 0.8,357 9.578,358 2.669,359 3.987,360 2.886,361 6.115,362 3.651,363 2.702,364 3.193,366 8.935,367 2.559,368 3.606,369 2.745,370 5.681,371 3.233,372 2.298,373 2.839,375 7.46,376 2.131,377 3.302,378 2.466,379 5.117,380 2.913,381 1.935,382 2.615,384 5.848,385 1.877,386 3.225,387 1.972,388 4.598,389 2.78,390 1.827,391 2.391,393 4.649,394 1.735,395 2.828,396 1.697,397 4.459,398 2.399,399 1.47,400 1.948,402 4.279,403 1.357,404 2.67,405 1.584,406 3.975,407 2.31,408 1.392,409 1.738,411 3.296,412 1.263,413 2.5,414 1.248,415 3.794,416 2.094,417 1.13,418 1.5,420 2.675,421 1.084,422 2.461,423 1.159,424 3.511,425 1.917,426 1,427 1.453,428 2.388,429 0.916,430 2.309,431 1,432 3.37,433 1.719,434 0.846,435 1.174,436 2.136,437 0.716,438 1.998,439 0.909,440 3.247,441 1.622,442 0.704,443 0.887,445 1.835,446 0.638,447 1.075,448 0.457,449 3.226,450 0.777,451 -0.182,452 -0.213,454 -0.51,455 -0.173,456 1.009,457 0.018,458 2.794,459 0.648,460 -0.308,461 -0.37,463 -0.886,464 -0.288,465 13.5,466 0.482,467 0.844,468 0.03,469 38,470 1.357,471 18.5,472 0.661,473 19.5,474 0.696,475 24.909,476 0.89,477 29.1,478 0.619,479 26.29,480 0.939,481 7.002,482 0.25,483 6.498,484 0.232,485 0.099,486 0.037,487 0.326,493 0.798,494 1.318,495 0.686,496 0.966,497 0.618,498 0.879,499 0.88,500 1.105,501 0.709,502 0.875,503 0.587,504 0.781,505 1.171,506 1.117,507 0.965,508 0.983,509 0.979,510 1,511 0.87,512 0.996,513 1.091,514 1.052,515 0.81,516 0.9,517 1.348,518 0.823,519 1.376,520 1.046,521 1.919,522 1.04,523 0.691,524 1.327,525 1.448,526 1.519,527 0.572,528 1.225,529 1.271,530 0.946,531 0.931,532 0.914,533 1.206,534 0.898,535 1.319,536 0.994,537 0.971,538 0.944,539 1.345,540 1.093,541 6.5,542 0.143,543 3.556,544 2.319,545 1.783,546 1.088,547 0.65,548 0.417,549 0.361,550 0.248,551 9757,552 26112,553 2.168,554 40.4,556 8,558 2,559 1,560 2,561 6,564 1.713,565 2.036,566 3.329,567 -0.288,568 1,569 1,573 80.307,574 1.709,575 3.953,576 4.757,577 4.927,578 4.927,579 4.927,580 2.74,581 4.28,582 4.78,583 3.463,584 1308.9,585 8.328,586 16597.1,588 1,590 1,591 261.066,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.048,598 0.04,599 0.028,600 0.018,601 0.011,602 0.011,603 0.011,604 0.453,605 0.5,606 0.88,607 0.517,608 138.307,609 -0.051,610 -0.209,611 0.073,612 -0.032,613 -0.051,614 0.004,615 0.076,616 -0.027,617 0.187,618 0.078,619 0.103,620 0.126,621 -0.135,622 -0.06,623 -0.039,624 -0.038,625 -0.118,626 -0.089,627 0.035,628 -0.016,629 0.078,630 0.045,631 0.121,632 0.129,633 -0.135,634 0.255,635 -0.225,636 0.035,637 -0.345,638 -0.112,639 0.104,640 -0.294,641 -0.22,642 -0.326,643 0.06,644 -0.21,645 -0.128,646 0.094,647 -0.03,648 -0.016,649 -0.056,650 0.008,651 -0.048,652 -0.055,653 -0.121,654 -0.048,655 -0.044,656 -0.156,657 1.713,658 5.482,659 0.893,660 23.005,661 1.009,662 1.122,663 2.474,664 6.123,665 0.7,666 3.497,667 3.892,668 4.19,669 4.533,670 4.804,671 4.963,672 5.142,673 5.328,674 5.472,675 5.565,676 6.043,677 0.668,678 393.51,679 3.497,680 5.081,681 5.958,682 6.878,683 7.772,684 8.696,685 9.597,686 10.522,687 11.428,688 12.355,689 10.6,696 1,697 1,699 3,704 6,705 3,708 1,709 7,711 17,718 1,726 1,729 1,731 47,733 18,734 1,735 32,737 51,738 20,739 13,740 3,741 3,742 1,746 5,747 7,752 2,755 1,756 1,758 1,761 14,762 6,763 1,766 1,771 1,775 1,778 1,781 19,782 7,783 1,784 8,785 1,790 5,794 0.6,795 2,806 1,811 1,812 4,815 1,816 1,840 3,842 1,844 2,848 28,854 3,855 1,856 1,859 1,860 1,863 1,870 4.3,873 1,875 1,877 13.75,878 9.3,879 5.833,880 2.825,881 3.169,882 1.383,883 1.01,884 4.181,885 11.435,886 3.75,887 4.373,888 4.955,889 5.569,890 6.07,891 6.399,892 6.828,893 7.225,894 7.601,895 7.935,896 0.857,897 48,898 10.369,900 4.567,901 7.676,902 19.92,904 17.006,905 2.176,906 60.917,909 1,910 211.88,911 136.995,912 71.492,914 36.145,916 31.278,917 105.717,918 248.025,919 71.492,920 17.65,921 27.243,922 37.905,923 103.748,924 48.99,925 1.358,926 219.615,928 211.88,929 177.209,930 36.145,931 31.278,933 143.581,934 106.771,937 69.37,938 55.154,939 50.357,940 31.278,941 211.88,942 107.636,943 136.995,946 211.88,947 63.345,948 76.775,949 18.011,950 86.501,951 211.88,952 107.636,953 136.995,955 0.599,956 0.346,957 0.196,958 0.109,959 27,960 11,961 0.039,962 2,963 2,964 1.16,965 3.915,966 265.252,967 0.16,968 25,969 128.606,970 1,974 17.716,975 6.609,976 3.223,978 107.636,979 11.172,980 13.495,983 1.432,984 5.666,986 18.011,987 456.511,988 41.5,993 12.482,997 -0.046,999 47.425,1000 52.737,1001 0.308,1002 0.712,1003 0.856,1004 0.887,1005 0.887,1006 0.887,1007 5.032,1008 1.47,1009 5.994,1010 4.649,1011 4.575,1012 5.059,1013 1.737,1014 6.882,1015 4.453,1016 6.262,1017 1.392,1018 7.6,1019 4.279,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.221,1025 7.596,1026 1.13,1027 9.311,1028 3.296,1029 6.286,1030 7.242,1031 1.622,1032 11.095,1033 6.06,1034 8.961,1035 1,1036 11.082,1037 2.675,1038 6.868,1039 7.888,1040 0.268,1041 13.014,1042 6.608,1043 10.357,1044 0.846,1045 12.891,1046 2.388,1047 8.305,1048 9.709,1049 1.587,1050 15.634,1051 7.983,1052 11.773,1053 0.704,1054 14.723,1055 2.136,1056 9.223,1057 10.722,1058 0.188,1059 17.842,1060 8.861,1061 13.205,1062 -0.182,1063 16.571,1064 1.835,1065 10.486,1066 12.328,1067 1.592,1068 20.324,1069 10.073,1070 3.349,1071 -0.308,1072 18.432,1073 -0.51,1074 11.549,1075 13.529,1076 0.125,1077 22.65,1078 11.094,1079 3.154,1080 11.552,1081 20.301,1082 -0.886,1083 12.75,1084 15.033,1085 1.624,1086 25.086,1087 12.25,1088 2.861,1089 10.943,1090 22.177,1091 4.176,1092 13.877,1093 16.332,1094 0.082,1095 27.464,1096 13.335,1097 2.702,1098 9.578,1099 24.058,1100 4.023,1101 15.059,1102 17.788,1103 1.676,1104 29.887,1105 14.474,1106 2.298,1107 8.935,1108 25.943,1109 3.556,1110 16.215,1111 19.139,1112 0.054,1113 32.289,1114 15.589,1115 1.935,1116 7.46,1117 27.832,1118 3.193,1119 17.394,1120 20.572,1121 1.742,1122 34.71,1123 16.727,1124 1.827,1125 5.848,1126 29.725,1127 2.839,1128 18.565,1129 21.951,1130 0.035,1131 37.125,1132 17.857,1133 9024,1134 14931,1135 21.671,1136 32.915,1137 50.238,1138 50.827,1139 50.012,1140 49.222,1141 49.336,1142 62.989,1143 5.437,1144 151.147,1145 46.266,1146 5.516,1147 5.726,1148 6.683,1149 5.45,1150 5.349,1151 7.176,1152 2.117,1153 18.895,1154 5.216,1155 11.806,1156 1.57,1157 1.588,1158 1.563,1159 1.538,1160 1.542,1161 1.968,1162 0.17,1163 4.723,1164 1.446,1165 4.052,1166 4.08,1167 4.277,1168 3.974,1169 7.429,1170 3.957,1171 3.929,1172 3.96,1173 3.938,1174 3.851,1175 5.037,1176 3.838,1177 3.754,1178 3.805,1179 3.695,1180 3.591,1181 4.853,1182 3.609,1183 3.55,1184 3.597,1185 3.582,1186 3.466,1187 4.715,1188 3.427,1189 3.408,1190 3.463,1191 3.292,1192 3.255,1193 4.288,1194 3.247,1195 3.134,1196 3.165,1197 3.077,1198 2.848,1199 4.258,1200 2.895,1201 2.946,1202 3.009,1203 2.841,1204 2.792,1205 3.962,1206 2.8,1207 2.874,1208 3.002,1209 2.77,1210 2.719,1211 3.805,1212 2.708,1213 0.143,1214 0.116,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.726,1221 0.033,1222 6.881,1223 0.361,1224 4.307,1225 0.1,1226 3.349,1227 4.176,1228 1.058,1229 11.552,1230 3.216,1231 1.947,1232 1.923,1233 2.026,1234 2.07,1235 1.262,1236 2.058,1237 1.825,1238 1.786,1239 1.99,1240 1.987,1241 1.194,1242 1.991,1243 1.696,1244 1.649,1245 1.824,1246 1.888,1247 0.963,1248 1.872,1249 1.463,1250 1.417,1251 1.677,1252 1.625,1253 0.742,1254 1.648,1255 1.335,1256 1.307,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.166,1262 1.124,1263 1.417,1264 1.373,1265 0.469,1266 1.363,1267 0.934,1268 0.866,1269 1.207,1270 1.239,1271 0.447,1272 1.308,1273 0.912,1274 0.804,1275 1.145,1276 1.153,1277 0.234,1278 1.154,1279 4.174,1281 5.549,1282 2.398,1283 7.119,1284 4.727,1285 8.778,1286 6.862,1287 10.484,1289 4.034,1295 1.958,1296 3.05,1297 5.837,1300 2.12,1301 -0.282,1305 31.411,1306 80.307,1307 185.781,1308 223.556,1309 231.556,1310 231.556,1311 231.556,1312 41.234,1313 8.266,1314 80.24,1315 108.48,1316 29,1317 12.863,1318 4.248,1319 3.392,1320 37.545,1321 100,1322 104,1323 0.183,1324 192.399,1325 327.39,1326 461.213,1327 46493,1329 19.303,1330 0.689,1331 0.586,1332 19.656,1333 16.416,1334 13.5,1335 0.422,1336 0.311,1337 9.076,1338 12.539,1339 8.739,1340 7.208,1341 13.908,1342 9.958,1343 13.195,1344 0.275,1345 0.177,1346 13.811,1347 8.52,1348 10.879,1349 0.167,1350 0.092,1351 11.769,1352 5.95,1353 9.933,1354 0.108,1355 0.05,1356 10.84,1357 4.6,1358 8.066,1359 0.067,1360 0.028,1361 9.036,1362 3.429,1363 0.281,1364 88.803,1365 0.215,1366 26.263,1367 0.52,1368 160,1369 459.245,1370 203.234,1371 463.16,1372 646.99,1373 436,1374 193,1375 476.355,1376 236.248,1377 496.229,1378 737.62,1379 467,1380 6.102}
{0 CHEMBL469209,1 1.682,2 10.759,3 3.296,4 10.862,5 112.766,6 8.151,7 0.515,8 4.04,9 4.15,10 3.737,11 3.625,12 5.132,13 3.594,14 4.594,15 4.755,16 4.194,17 4.04,18 5.651,19 4.003,20 4.841,21 5.02,22 4.262,23 4.196,24 5.897,25 4.13,26 4.946,27 5.178,28 4.176,29 4.201,30 5.958,31 4.083,32 4.749,33 4.941,34 4.087,35 4.071,36 5.829,37 3.968,38 4.591,39 4.761,40 3.965,41 3.993,42 5.573,43 3.892,44 4.611,45 4.791,46 3.964,47 3.933,48 5.689,49 3.877,50 4.721,51 4.931,52 3.881,53 3.939,54 5.782,55 3.842,56 0.058,57 0.79,58 9.529,59 4.628,60 7.497,61 5.566,62 0.241,63 1.322,64 20.693,65 7.84,66 21.19,67 9.887,68 0.41,69 1.646,70 27.396,71 9.538,72 34.959,73 11.658,74 0.418,75 1.723,76 38.116,77 13.011,78 45.866,79 16.095,80 0.572,81 1.457,82 29.799,83 9.8,84 55.485,85 11.163,86 0.217,87 1.281,88 26.219,89 9.664,90 14.675,91 11.157,92 0.332,93 1.261,94 21.652,95 7.684,96 31.057,97 9.506,98 0.494,99 1.315,100 26.29,101 9.27,102 50.741,103 11.754,104 17,105 50,106 0.281,107 0.649,108 0.809,109 0.848,110 0.848,111 0.848,112 3.409,113 0.944,114 -3.93,115 -3.88,116 -3.68,119 42,120 3,121 1,125 2,130 1,142 5,143 1,144 2,146 3,152 1,158 1,162 1,166 1,172 4,174 1,175 9,178 1,180 3,183 7,186 1,187 11,192 1,195 6,198 1,199 12,202 1,207 4,211 3,212 5,215 1,220 6,223 2,224 5,232 4,236 2,237 5,242 1,245 4,249 2,250 5,253 1,255 2,258 4,263 5,268 1,271 5,275 1318,276 19.342,277 19.342,278 19.342,279 19.342,280 19.342,281 17.268,282 26.447,283 10.964,284 19.911,285 16.317,286 16.317,287 16.317,288 16.317,289 16.317,290 13.038,291 41.001,292 5.249,293 17.288,294 3.962,295 1.756,296 0.797,297 0.565,298 0.565,299 0.565,300 4.117,304 1,305 1,306 693,307 2.828,310 52.419,311 287.953,314 103.267,315 114.839,318 1.698,319 25.891,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 312,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.177,338 1.058,339 11.552,340 3.216,341 4.408,342 3.406,343 6.712,344 4.097,345 3.155,346 4.032,347 0.86,348 10.943,349 2.986,350 4.142,351 3.134,352 6.32,353 3.817,354 2.869,355 3.64,356 0.8,357 9.579,358 2.706,359 4.009,360 2.898,361 6.12,362 3.68,363 2.723,364 3.209,366 8.953,367 2.593,368 3.681,369 2.782,370 5.682,371 3.303,372 2.345,373 3.027,375 7.466,376 2.244,377 3.559,378 2.475,379 5.117,380 3.179,381 2.228,382 2.804,384 6.08,385 2.098,386 3.249,387 2.444,388 5.04,389 2.905,390 1.93,391 2.402,393 5.847,394 1.865,395 2.905,396 1.877,397 4.589,398 2.49,399 1.556,400 2.065,402 4.437,403 1.447,404 2.826,405 1.587,406 4.332,407 2.361,408 1.431,409 1.948,411 4.033,412 1.324,413 2.5,414 1.423,415 3.962,416 2.238,417 1.292,418 1.5,420 3.212,421 1.207,422 2.474,423 1.248,424 3.794,425 1.983,426 1,427 1.47,428 2.391,429 0.982,430 2.31,431 1,432 3.414,433 1.724,434 0.849,435 1.176,436 2.275,437 0.72,438 2.006,439 0.926,440 3.379,441 1.631,442 0.713,443 0.898,445 1.856,446 0.645,447 1.225,448 0.457,449 3.227,450 0.919,451 -0.062,452 -0.075,454 -0.148,455 -0.061,456 1.031,457 0.165,458 2.794,459 0.729,460 -0.242,461 -0.281,463 -0.711,464 -0.232,465 14,466 0.483,467 0.95,468 0.033,469 38,470 1.31,471 18.5,472 0.638,473 19.5,474 0.672,475 27.28,476 0.941,477 30.4,478 0.608,479 26.914,480 0.928,481 7.007,482 0.242,483 6.887,484 0.237,485 0.131,486 0.036,487 0.35,493 0.738,494 1.211,495 0.701,496 0.959,497 0.613,498 0.893,499 0.838,500 1.164,501 0.674,502 0.89,503 0.548,504 0.777,505 1.225,506 1.117,507 0.995,508 0.983,509 1.026,510 1.011,511 0.871,512 1.011,513 1.091,514 1.062,515 0.823,516 0.927,517 1.359,518 0.851,519 1.317,520 1.005,521 1.876,522 0.987,523 0.779,524 1.261,525 1.455,526 1.48,527 0.597,528 1.183,529 1.247,530 1.044,531 0.98,532 0.995,533 1.207,534 1.011,535 1.125,536 0.998,537 0.98,538 1.003,539 1.233,540 1.07,541 7.5,542 0.164,543 4,544 2.382,545 1.974,546 1.199,547 0.73,548 0.457,549 0.446,550 0.318,551 10742,552 27857,553 2.141,554 42,556 9,559 1,560 5,561 6,564 1.722,565 1.989,566 3.4,567 -0.302,568 1,569 1,573 84.106,574 1.682,575 3.887,576 4.846,577 5.079,578 5.079,579 5.079,580 2.902,581 4.513,582 4.829,583 3.539,584 1436.72,585 8.424,586 18743.7,588 1,590 1,591 282.193,592 1.599,593 4.779,594 0.227,595 0.009,596 0.08,597 0.048,598 0.043,599 0.03,600 0.019,601 0.012,602 0.013,603 0.012,604 0.492,605 0.5,606 0.88,607 0.562,608 145.397,609 0.016,610 -0.085,611 0.078,612 -0.004,613 -0.037,614 0.014,615 0.092,616 -0.097,617 0.233,618 0.083,619 0.128,620 0.158,621 -0.157,622 -0.035,623 -0.068,624 -0.042,625 -0.143,626 -0.105,627 0.033,628 -0.026,629 0.057,630 0.022,631 0.105,632 0.091,633 -0.135,634 0.221,635 -0.158,636 0.07,637 -0.307,638 -0.045,639 0.043,640 -0.194,641 -0.228,642 -0.283,643 0.043,644 -0.177,645 -0.097,646 -0.005,647 -0.1,648 -0.08,649 -0.07,650 -0.1,651 0.054,652 -0.053,653 -0.065,654 -0.07,656 -0.108,657 1.711,658 5.51,659 0.862,660 25.46,661 1.006,662 1.123,663 2.697,664 7.276,665 0.694,666 3.526,667 3.932,668 4.22,669 4.554,670 4.836,671 5.004,672 5.165,673 5.357,674 5.521,675 5.624,676 6.306,677 0.659,678 407.54,679 3.526,680 5.118,681 5.994,682 6.915,683 7.808,684 8.731,685 9.631,686 10.556,687 11.461,688 12.386,689 10,696 1,697 1,699 3,704 5,705 3,708 1,709 8,711 17,718 1,726 1,729 1,731 50,733 18,734 1,735 33,737 54,738 21,739 13,740 3,741 3,742 1,746 5,747 7,752 3,755 1,756 1,758 1,761 14,762 7,763 1,766 1,771 1,775 1,778 1,781 21,782 7,783 1,784 8,785 1,790 5,794 0.6,795 2,804 1,811 1,812 4,815 1,816 1,840 3,842 1,844 3,848 29,854 3,855 1,856 1,859 1,860 1,863 1,870 4,873 1,875 1,877 14.583,878 10.217,879 6,880 3.037,881 3.201,882 1.383,883 1.003,884 4.41,885 11.565,886 3.773,887 4.41,888 4.986,889 5.594,890 6.108,891 6.456,892 6.86,893 7.268,894 7.671,895 8.018,896 1,897 50,898 10.743,900 4.718,901 7.658,902 20.695,904 17.666,905 2.158,906 62.583,909 1,910 235.422,911 140.387,912 71.247,914 36.145,916 31.278,917 109.109,918 271.567,919 71.247,920 26.476,921 27.243,922 47.381,923 79.961,924 34.081,925 1.358,926 266.7,928 235.422,929 180.356,930 36.145,931 31.278,933 164.795,934 106.771,937 65.614,938 64.63,939 50.112,940 31.278,941 235.422,942 107.391,943 140.387,946 235.422,947 66.53,948 76.981,949 18.011,950 86.256,951 235.422,952 107.391,953 140.387,955 0.604,956 0.346,957 0.19,958 0.108,959 28,960 12,961 0.037,962 2,963 2,964 1.16,965 3.977,966 277.354,967 0.16,968 25,969 138.881,970 1,974 18.651,975 6.857,976 3.428,978 107.391,979 9.919,980 13.293,983 1.437,984 6.779,986 18.011,987 483.2,988 42.5,993 12.51,997 -0.044,999 50.309,1000 56.152,1001 0.298,1002 0.689,1003 0.859,1004 0.9,1005 0.9,1006 0.9,1007 5.064,1008 1.556,1009 6.038,1010 5.847,1011 4.615,1012 5.097,1013 1.737,1014 6.925,1015 4.507,1016 6.303,1017 1.431,1018 7.646,1019 4.437,1020 4.443,1021 5.017,1022 0.325,1023 8.072,1024 4.305,1025 7.643,1026 1.292,1027 9.356,1028 4.033,1029 6.33,1030 7.293,1031 1.622,1032 11.119,1033 6.126,1034 9.011,1035 1,1036 11.123,1037 3.212,1038 6.919,1039 7.967,1040 0.268,1041 13.027,1042 6.677,1043 10.408,1044 0.849,1045 12.925,1046 2.391,1047 8.341,1048 9.762,1049 1.587,1050 15.645,1051 8.046,1052 11.823,1053 0.713,1054 14.752,1055 2.275,1056 9.257,1057 10.788,1058 0.188,1059 17.848,1060 8.919,1061 13.254,1062 -0.062,1063 16.595,1064 1.856,1065 10.512,1066 12.38,1067 1.592,1068 20.328,1069 10.127,1070 3.349,1071 -0.242,1072 18.451,1073 -0.148,1074 11.572,1075 13.585,1076 0.125,1077 22.652,1078 11.143,1079 3.155,1080 11.552,1081 20.316,1082 -0.711,1083 12.769,1084 15.081,1085 1.624,1086 25.088,1087 12.296,1088 2.869,1089 10.943,1090 22.189,1091 4.177,1092 13.893,1093 16.381,1094 0.082,1095 27.465,1096 13.376,1097 2.723,1098 9.579,1099 24.068,1100 4.032,1101 15.072,1102 17.832,1103 1.676,1104 29.888,1105 14.514,1106 2.345,1107 8.953,1108 25.951,1109 3.64,1110 16.226,1111 19.183,1112 0.054,1113 32.289,1114 15.626,1115 2.228,1116 7.466,1117 27.839,1118 3.209,1119 17.404,1120 20.613,1121 1.742,1122 34.711,1123 16.762,1124 1.93,1125 6.08,1126 29.73,1127 3.027,1128 18.573,1129 21.991,1130 0.035,1131 37.125,1132 17.89,1133 9992,1134 16270,1135 22.076,1136 34.676,1137 51.788,1138 52.42,1139 52.292,1140 50.77,1141 50.882,1142 64.694,1143 5.437,1144 157.249,1145 48.065,1146 5.517,1147 5.726,1148 6.409,1149 5.45,1150 5.349,1151 7.177,1152 2.117,1153 18.895,1154 5.216,1155 14.201,1156 1.569,1157 1.588,1158 1.585,1159 1.538,1160 1.542,1161 1.96,1162 0.165,1163 4.765,1164 1.457,1165 4.056,1166 4.084,1167 4.277,1168 3.98,1169 7.429,1170 3.965,1171 3.935,1172 3.966,1173 3.948,1174 3.865,1175 5.051,1176 3.847,1177 3.783,1178 3.83,1179 3.724,1180 3.641,1181 4.864,1182 3.653,1183 3.555,1184 3.604,1185 3.585,1186 3.47,1187 4.719,1188 3.431,1189 3.419,1190 3.473,1191 3.309,1192 3.265,1193 4.291,1194 3.257,1195 3.138,1196 3.203,1197 3.078,1198 2.976,1199 4.276,1200 2.962,1201 3.114,1202 3.163,1203 2.949,1204 2.84,1205 3.933,1206 2.889,1207 2.923,1208 3.009,1209 2.801,1210 2.743,1211 3.828,1212 2.743,1213 0.138,1214 0.113,1215 0.209,1216 0.131,1217 0.101,1218 4.567,1219 0.127,1220 3.726,1221 0.032,1222 6.881,1223 0.35,1224 4.307,1225 0.097,1226 3.349,1227 4.177,1228 1.058,1229 11.552,1230 3.216,1231 1.96,1232 1.937,1233 2.04,1234 2.075,1235 1.262,1236 2.065,1237 1.825,1238 1.786,1239 1.99,1240 1.987,1241 1.204,1242 1.991,1243 1.74,1244 1.698,1245 1.877,1246 1.914,1247 1.008,1248 1.903,1249 1.474,1250 1.427,1251 1.695,1252 1.644,1253 0.875,1254 1.666,1255 1.335,1256 1.308,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.171,1262 1.128,1263 1.459,1264 1.376,1265 0.531,1266 1.396,1267 1.138,1268 1.063,1269 1.417,1270 1.35,1271 0.469,1272 1.362,1273 0.934,1274 0.831,1275 1.206,1276 1.239,1277 0.444,1278 1.308,1279 4.205,1281 5.587,1282 2.398,1283 7.159,1284 4.727,1285 8.817,1286 6.862,1287 10.521,1289 5.957,1295 1.965,1296 3.055,1297 5.861,1300 2.132,1301 -0.282,1305 32.938,1306 84.106,1307 194.37,1308 242.319,1309 253.928,1310 253.928,1311 253.928,1312 44.431,1313 8.365,1314 80.24,1315 108.48,1316 29,1317 12.895,1318 4.248,1319 3.392,1320 39.523,1321 108,1322 124,1323 0.178,1324 201.991,1325 344.69,1326 484.618,1327 52560,1329 20.173,1330 0.696,1331 0.598,1332 20.527,1333 17.338,1334 13.894,1335 0.421,1336 0.315,1337 9.508,1338 12.932,1339 9.099,1340 7.532,1341 14.302,1342 10.385,1343 13.817,1344 0.276,1345 0.18,1346 14.433,1347 9.007,1348 11.29,1349 0.169,1350 0.093,1351 12.18,1352 6.22,1353 10.085,1354 0.107,1355 0.05,1356 10.992,1357 4.725,1358 8.29,1359 0.066,1360 0.028,1361 9.26,1362 3.544,1363 0.275,1364 91.166,1365 0.213,1366 27.12,1367 0.502,1368 166,1369 467.245,1370 209.178,1371 472.64,1372 661.02,1373 444,1374 200,1375 491.887,1376 243.331,1377 511.94,1378 756.7,1379 481,1380 6.132}
{0 CHEMBL469271,1 1.521,2 10.786,3 5.182,4 26.85,5 112.443,6 7.811,7 0.531,8 4.019,9 4.119,10 3.689,11 3.668,12 5.054,13 3.614,14 4.585,15 4.737,16 4.14,17 4.1,18 5.563,19 4.035,20 4.86,21 5.032,22 4.214,23 4.272,24 5.843,25 4.166,26 4.988,27 5.227,28 4.15,29 4.258,30 5.931,31 4.112,32 4.772,33 4.962,34 4.047,35 4.099,36 5.831,37 3.978,38 4.607,39 4.79,40 3.813,41 3.978,42 5.512,43 3.851,44 4.543,45 4.733,46 3.751,47 3.879,48 5.51,49 3.796,50 4.642,51 4.847,52 3.719,53 3.918,54 5.642,55 3.785,56 0.015,57 0.675,58 10.075,59 4.935,60 6.201,61 6.122,62 0.157,63 1.21,64 21.187,65 8.607,66 16.445,67 10.861,68 0.269,69 1.552,70 28.776,71 11.701,72 31.05,73 14.412,74 0.286,75 1.777,76 41.189,77 15.15,78 42.395,79 18.702,80 0.474,81 1.457,82 31.372,83 10.71,84 55.833,85 12.221,86 0.163,87 1.223,88 28.39,89 10.457,90 17.592,91 12.039,92 0.192,93 1.097,94 19.904,95 7.922,96 23.241,97 10.036,98 0.3,99 1.169,100 23.503,101 9.635,102 43.39,103 12.193,104 10,105 48,106 0.254,107 0.584,108 0.725,109 0.812,110 0.831,111 0.831,112 3.375,113 0.979,114 -5.46,115 -5.34,116 -4.99,119 46,120 2,121 2,123 1,125 2,142 8,143 2,144 2,146 1,152 1,157 1,162 1,172 14,174 1,175 6,183 18,186 1,187 7,195 13,198 1,199 11,207 9,211 2,212 8,220 8,224 7,232 3,237 6,245 5,249 1,250 7,258 9,263 5,271 9,275 1162,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.845,282 20.393,283 10.876,284 19.315,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.633,291 28.335,292 5.208,293 16.592,294 4.123,295 2.146,296 1.3,297 0.78,298 0.67,299 0.67,300 4.086,304 1,305 1,306 676,307 2.739,310 50.573,311 275.334,314 99.417,315 108.228,318 1.872,319 22.004,322 0.75,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.86,330 59,331 302,332 4.565,333 3.735,334 6.88,335 4.329,336 3.349,337 4.173,338 1.277,339 11.551,340 3.302,341 4.401,342 3.404,343 6.704,344 4.091,345 3.148,346 4.023,347 0.86,348 10.907,349 2.986,350 4.135,351 3.08,352 6.319,353 3.832,354 2.872,355 3.566,356 0.8,357 9.577,358 2.741,359 3.986,360 2.913,361 6.139,362 3.681,363 2.711,364 3.19,366 9.024,367 2.615,368 3.6,369 2.72,370 5.668,371 3.23,372 2.28,373 2.848,375 7.417,376 2.153,377 3.316,378 2.442,379 5.117,380 2.937,381 1.938,382 2.605,384 5.85,385 1.922,386 3.171,387 1.966,388 4.621,389 2.76,390 1.786,391 2.339,393 4.594,394 1.728,395 2.883,396 1.751,397 4.398,398 2.494,399 1.559,400 2.016,402 4.27,403 1.448,404 2.659,405 1.548,406 4.02,407 2.266,408 1.35,409 1.724,411 3.381,412 1.221,413 2.5,414 1.251,415 3.794,416 2.12,417 1.129,418 1.5,420 2.662,421 1.116,422 2.462,423 1.158,424 3.505,425 2,426 1,427 1.455,428 2.386,429 1,430 2.307,431 1,432 3.365,433 1.729,434 0.847,435 1.173,436 2.136,437 0.723,438 1.998,439 0.912,440 3.247,441 1.63,442 0.706,443 0.89,445 1.834,446 0.644,447 1.037,448 0.549,449 3.227,450 0.752,451 -0.226,452 -0.259,454 -0.686,455 -0.216,456 0.972,457 -0.035,458 2.794,459 0.615,460 -0.35,461 -0.428,463 -0.881,464 -0.335,465 13.8,466 0.493,467 0.844,468 0.03,469 36.5,470 1.304,471 18.5,472 0.661,473 18,474 0.643,475 26.34,476 0.941,477 28.8,478 0.576,479 24.504,480 0.875,481 6.562,482 0.234,483 6.938,484 0.248,485 0.097,486 0.036,487 0.319,493 0.705,494 1.129,495 0.722,496 0.923,497 0.588,498 0.886,499 0.886,500 1.009,501 0.742,502 0.874,503 0.619,504 0.814,505 1.081,506 1.136,507 0.972,508 1.039,509 1.063,510 1.08,511 0.792,512 1.027,513 1.08,514 1.057,515 0.734,516 0.894,517 1.64,518 0.951,519 1.342,520 1.023,521 1.956,522 1.007,523 1.106,524 1.244,525 1.568,526 1.434,527 0.685,528 1.163,529 1.411,530 0.95,531 0.867,532 0.863,533 1.249,534 0.976,535 1.157,536 1.036,537 0.935,538 0.987,539 1.245,540 1.109,541 6.5,542 0.139,543 3.556,544 2.444,545 1.863,546 0.976,547 0.65,548 0.477,549 0.319,550 0.181,551 10149,552 23554,553 2.168,554 44,555 6,556 12,560 4,564 1.71,565 2.036,566 3.397,567 -0.813,573 76.043,574 1.521,575 3.498,576 4.343,577 4.863,578 4.974,579 4.974,580 2.897,581 4.45,582 4.778,583 3.557,584 1344.68,585 8.306,586 17152.7,591 282.193,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.051,598 0.041,599 0.026,600 0.019,601 0.014,602 0.011,603 0.009,604 0.458,605 0.33,606 0.75,607 0.517,608 139.259,609 0.011,610 -0.094,611 0.082,612 0.008,613 -0.032,614 0.027,615 0.051,616 0.03,617 0.169,618 0.081,619 0.035,620 0.117,621 -0.03,622 -0.116,623 -0.045,624 -0.09,625 -0.107,626 -0.147,627 0.101,628 -0.017,629 0.1,630 0.03,631 0.157,632 0.123,633 -0.154,634 0.149,635 -0.167,636 0.019,637 -0.286,638 -0.085,639 -0.098,640 -0.2,641 -0.303,642 -0.284,643 -0.019,644 -0.175,645 -0.173,646 0.046,647 -0.089,648 -0.019,649 -0.07,650 -0.064,651 0.036,652 -0.106,653 -0.079,654 -0.078,655 0.04,656 -0.151,657 1.442,658 5.572,659 0.893,660 26.036,661 0.995,662 1.11,663 4.232,664 17.908,665 0.704,666 3.497,667 3.892,668 4.19,669 4.533,670 4.796,671 4.949,672 5.136,673 5.323,674 5.46,675 5.557,676 6.346,677 0.659,678 390.54,679 3.497,680 5.081,681 5.958,682 6.878,683 7.771,684 8.694,685 9.595,686 10.519,687 11.424,688 12.349,689 4,697 1,699 1,704 8,705 1,708 1,709 7,711 17,716 1,726 1,729 1,731 50,733 18,734 2,735 32,737 54,738 23,739 15,740 4,741 8,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 2,761 16,762 7,766 1,771 1,775 1,781 22,782 4,784 5,785 1,790 2,794 0.6,795 2,811 1,812 4,815 1,816 1,840 3,842 1,844 2,848 28,854 4,856 1,859 1,860 1,863 1,870 4,873 1,875 1,877 13.75,878 9.817,879 5.833,880 3.106,881 3.169,882 1.383,883 1.013,884 4.277,885 11.435,886 3.75,887 4.373,888 4.955,889 5.569,890 6.065,891 6.388,892 6.822,893 7.219,894 7.587,895 7.939,896 1,897 48,898 10.41,900 4.583,901 7.568,902 20.364,904 17.698,905 2.068,906 57.917,909 1,910 258.964,911 160.626,912 19.91,914 36.145,916 31.278,917 129.348,918 295.109,919 19.91,920 17.65,921 11.767,922 75.81,923 47.064,924 31.753,925 1.358,926 290.242,928 258.964,929 149.258,930 36.145,931 31.278,933 258.964,934 36.145,937 35.799,938 96.673,939 16.786,940 31.278,941 258.964,942 56.055,943 160.626,946 258.964,947 67.166,948 96.585,950 52.93,951 258.964,952 56.055,953 160.626,955 0.599,956 0.346,957 0.197,958 0.108,959 27,960 11,961 0.037,962 2,963 2,964 1.16,965 3.946,966 263.122,967 0.16,968 25,969 128.606,970 1,974 17.873,975 6.7,976 3.276,978 56.055,979 16.627,980 4.868,983 1.525,984 6.878,987 475.645,988 41.5,993 12.572,997 0.225,999 49.771,1000 55.487,1001 0.269,1002 0.62,1003 0.77,1004 0.862,1005 0.881,1006 0.881,1007 5.032,1008 1.559,1009 5.994,1010 4.594,1011 4.575,1012 5.059,1013 1.903,1014 6.882,1015 4.492,1016 6.262,1017 1.35,1018 7.6,1019 4.27,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.274,1025 7.596,1026 1.129,1027 9.311,1028 3.381,1029 6.286,1030 7.242,1031 2.065,1032 11.094,1033 6.137,1034 8.961,1035 1,1036 11.082,1037 2.662,1038 6.868,1039 7.888,1040 0.268,1041 13.013,1042 6.702,1043 10.357,1044 0.847,1045 12.891,1046 2.386,1047 8.305,1048 9.709,1049 2.377,1050 15.632,1051 8.102,1052 11.773,1053 0.706,1054 14.723,1055 2.136,1056 9.223,1057 10.722,1058 0.188,1059 17.839,1060 8.999,1061 13.205,1062 -0.226,1063 16.571,1064 1.834,1065 10.486,1066 12.328,1067 2.77,1068 20.319,1069 10.234,1070 3.349,1071 -0.35,1072 18.431,1073 -0.686,1074 11.548,1075 13.528,1076 0.125,1077 22.644,1078 11.278,1079 3.148,1080 11.551,1081 20.3,1082 -0.881,1083 12.749,1084 15.032,1085 3.207,1086 25.079,1087 12.457,1088 2.872,1089 10.907,1090 22.176,1091 4.173,1092 13.875,1093 16.331,1094 0.082,1095 27.455,1096 13.566,1097 2.711,1098 9.577,1099 24.057,1100 4.023,1101 15.057,1102 17.786,1103 3.668,1104 29.877,1105 14.729,1106 2.28,1107 9.024,1108 25.942,1109 3.566,1110 16.212,1111 19.136,1112 0.054,1113 32.277,1114 15.869,1115 1.938,1116 7.417,1117 27.831,1118 3.19,1119 17.39,1120 20.569,1121 4.142,1122 34.698,1123 17.033,1124 1.786,1125 5.85,1126 29.723,1127 2.848,1128 18.561,1129 21.947,1130 0.035,1131 37.111,1132 18.189,1133 9360,1134 14419,1135 21.671,1136 35.182,1137 50.25,1138 51.012,1139 50.012,1140 49.253,1141 49.351,1142 63.006,1143 5.875,1144 151.179,1145 47.197,1146 5.515,1147 5.735,1148 6.682,1149 5.47,1150 5.349,1151 7.173,1152 2.555,1153 18.897,1154 5.302,1155 11.871,1156 1.57,1157 1.594,1158 1.563,1159 1.539,1160 1.542,1161 1.969,1162 0.184,1163 4.724,1164 1.475,1165 4.066,1166 4.089,1167 4.279,1168 4.008,1169 7.427,1170 3.991,1171 3.957,1172 3.979,1173 3.955,1174 3.916,1175 4.921,1176 3.892,1177 3.8,1178 3.835,1179 3.727,1180 3.706,1181 4.761,1182 3.706,1183 3.56,1184 3.601,1185 3.603,1186 3.507,1187 4.673,1188 3.456,1189 3.41,1190 3.464,1191 3.293,1192 3.255,1193 4.274,1194 3.248,1195 3.181,1196 3.214,1197 3.093,1198 2.957,1199 4.215,1200 2.978,1201 2.959,1202 3.015,1203 2.848,1204 2.838,1205 3.808,1206 2.83,1207 2.874,1208 3.009,1209 2.769,1210 2.735,1211 3.674,1212 2.715,1213 0.143,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.565,1219 0.13,1220 3.735,1221 0.04,1222 6.88,1223 0.361,1224 4.329,1225 0.103,1226 3.349,1227 4.173,1228 1.277,1229 11.551,1230 3.302,1231 1.994,1232 1.974,1233 2.085,1234 2.079,1235 1.375,1236 2.08,1237 1.883,1238 1.852,1239 2.048,1240 2.002,1241 1.228,1242 2.02,1243 1.791,1244 1.761,1245 1.916,1246 1.915,1247 1.074,1248 1.921,1249 1.464,1250 1.419,1251 1.681,1252 1.626,1253 0.872,1254 1.649,1255 1.336,1256 1.307,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.184,1262 1.136,1263 1.417,1264 1.394,1265 0.584,1266 1.39,1267 0.981,1268 0.937,1269 1.36,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.849,1275 1.182,1276 1.175,1277 0.395,1278 1.199,1279 4.174,1281 5.549,1282 2.398,1283 7.119,1284 4.727,1285 8.778,1286 6.862,1287 10.484,1289 4.282,1295 2.799,1297 5.962,1300 2.191,1301 -0.011,1305 32.928,1306 76.043,1307 174.89,1308 217.173,1309 243.173,1310 248.683,1311 248.683,1312 42.394,1313 8.266,1314 42.43,1315 70.67,1316 29,1317 12.858,1318 4.248,1319 3.392,1320 37.703,1321 106,1322 110,1323 0.175,1324 200.793,1325 346.29,1326 481.694,1327 46493,1329 19.303,1330 0.689,1331 0.603,1332 19.656,1333 16.883,1334 13.5,1335 0.422,1336 0.326,1337 9.612,1338 12.739,1339 9.214,1340 7.619,1341 13.908,1342 10.445,1343 13.195,1344 0.275,1345 0.192,1346 13.811,1347 9.239,1348 10.872,1349 0.167,1350 0.101,1351 11.762,1352 6.547,1353 9.967,1354 0.108,1355 0.056,1356 10.875,1357 5.112,1358 8.05,1359 0.067,1360 0.032,1361 9.026,1362 3.852,1363 0.273,1364 87.513,1365 0.215,1366 26.478,1367 0.489,1368 160,1369 405.622,1370 197.239,1371 415.896,1372 583.07,1373 392,1374 193,1375 425.172,1376 230.308,1377 449.023,1378 667.95,1379 423,1380 4.699}
{0 CHEMBL469565,1 1.692,2 10.16,3 3.36,4 11.29,5 90.438,6 7.872,7 0.444,8 3.9,9 3.997,10 3.498,11 3.374,12 5.078,13 3.39,14 4.441,15 4.596,16 3.845,17 3.725,18 5.691,19 3.731,20 4.648,21 4.83,22 3.883,23 3.85,24 5.825,25 3.829,26 4.68,27 4.882,28 3.766,29 3.812,30 5.779,31 3.761,32 4.648,33 4.871,34 3.781,35 3.779,36 5.835,37 3.716,38 4.602,39 4.805,40 3.73,41 3.749,42 5.741,43 3.694,44 4.61,45 4.809,46 3.655,47 3.66,48 5.79,49 3.632,50 4.515,51 4.721,52 3.593,53 3.529,54 5.824,55 3.499,56 0.13,57 0.674,58 8.308,59 4.155,60 14.914,61 4.84,62 0.493,63 1.057,64 17.244,65 6.438,66 49.556,67 7.852,68 0.62,69 1.27,70 22.284,71 7.792,72 50.536,73 9.699,74 0.597,75 1.224,76 24.048,77 8.278,78 64.501,79 10.646,80 0.812,81 1.171,82 23.998,83 8.01,84 72.472,85 10.931,86 0.64,87 1.054,88 22.386,89 7.94,90 72.454,91 10.506,92 0.696,93 1.039,94 23.5,95 7.4,96 88.212,97 9.068,98 0.946,99 0.916,100 22.568,101 6.653,102 92.706,103 8.508,104 18,105 37,106 0.295,107 0.654,108 0.801,109 0.847,110 0.847,111 0.847,112 3.267,113 0.887,114 -2.76,115 -2.77,116 -2.69,119 40.9,120 1,125 5,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,174 1,175 6,178 1,180 1,183 4,184 2,186 2,187 8,192 2,195 3,199 2,200 2,207 1,211 4,212 4,213 1,215 2,220 2,223 1,224 4,227 1,232 5,237 3,238 1,245 5,246 2,249 2,250 5,253 1,255 2,258 3,259 3,263 3,268 3,275 947,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 15.009,282 22.845,283 9.903,284 17.162,285 13.333,286 13.333,287 13.333,288 13.333,289 13.333,290 10.784,291 29.781,292 4.737,293 14.162,294 3.767,295 1.712,296 0.872,297 0.608,298 0.608,299 0.608,300 3.947,303 1,304 1,305 1,306 538,307 2.915,311 254.247,318 1.366,319 36.834,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 56.5,331 254,332 4.327,333 3.586,334 6.258,335 3.954,336 2.996,337 3.953,338 1.437,339 9.499,340 2.881,341 4.226,342 3.199,343 6.059,344 3.815,345 2.852,346 3.876,347 1.151,348 8.708,349 2.742,350 3.819,351 3.123,352 5.86,353 3.555,354 2.599,355 3.086,356 0.86,357 8.039,358 2.459,359 3.567,360 2.813,361 5.244,362 3.235,363 2.282,364 2.827,365 0.8,366 6.567,367 2.167,368 3.438,369 2.608,370 4.954,371 3.019,372 2.094,373 2.73,375 5.794,376 1.912,377 2.938,378 2.283,379 4.411,380 2.678,381 1.762,382 2.002,384 4.376,385 1.607,386 2.842,387 1.941,388 4.169,389 2.444,390 1.472,391 1.958,393 3.759,394 1.426,395 2.645,396 1.729,397 3.728,398 2.164,399 1.206,400 1.604,402 2.832,403 1.135,404 2.2,405 1.373,406 3.485,407 1.952,408 1,409 1.17,411 2.492,412 0.946,413 2,414 1.256,415 3.267,416 1.915,417 1,418 1,420 2.136,421 0.904,422 1.963,423 1.126,424 3.247,425 1.64,426 0.747,427 0.881,428 1.756,429 0.658,430 1.262,431 0.507,432 2.649,433 0.932,438 0.83,439 0.434,440 2.528,441 0.461,442 -0.487,443 -0.564,445 -1.242,446 -0.457,447 0.803,448 0.026,449 2.359,450 0.431,451 -0.514,452 -0.621,454 -1.257,455 -0.472,456 0.762,457 -0.304,458 2.171,459 0.324,460 -0.624,461 -0.8,463 -1.759,464 -0.586,465 11.419,466 0.457,467 0.647,468 0.026,469 31,470 1.24,471 14.5,472 0.58,473 16.5,474 0.66,475 19.648,476 0.786,477 28.181,478 0.64,479 23.692,480 0.948,481 6.478,482 0.259,483 5.547,484 0.222,485 0.127,487 0.342,491 1,493 0.761,494 1.231,495 0.72,496 1.198,497 0.651,498 1.001,499 0.926,500 1.007,501 0.843,502 0.943,503 0.517,504 0.879,505 1.029,506 1.045,507 1.054,508 1.031,509 0.816,510 1.033,511 1.01,512 1.077,513 1.06,514 1.102,515 0.897,516 1.098,517 0.596,518 0.828,519 0.887,520 0.948,521 0.712,522 0.987,523 0.715,524 0.872,525 0.877,526 1.037,527 0.743,528 1.016,529 1.338,530 0.902,531 1.153,532 0.977,533 1.377,534 0.999,535 1.093,536 0.662,537 0.964,538 0.707,539 1.149,540 0.791,541 5.5,542 0.136,543 2.667,544 1.313,545 1.338,546 0.944,547 0.327,548 0.431,549 0.348,550 0.146,551 6929,552 22790,553 2.038,554 43.2,555 3,556 15,559 1,564 1.683,565 1.899,566 3.305,567 -0.277,568 1,569 1,571 1,573 74.446,574 1.692,575 3.747,576 4.588,577 4.851,578 4.851,579 4.851,580 2.663,581 4.103,582 4.617,583 3.448,584 1034.37,585 7.997,586 12683,588 1,590 1,591 240.215,592 1.44,593 4.569,594 0.204,595 0.009,596 0.072,597 0.035,598 0.042,599 0.03,600 0.011,601 0.015,602 0.013,603 0.007,604 0.438,605 0.33,606 1,607 0.795,608 120.605,609 -0.066,610 -0.174,611 0.037,612 -0.095,613 -0.065,614 -0.019,615 -0.046,616 -0.026,617 0.039,618 0.055,619 0.117,620 0.069,621 -0.117,622 -0.008,623 -0.136,624 -0.053,625 -0.048,626 -0.086,627 -0.142,628 -0.166,629 -0.119,630 -0.126,631 -0.101,632 -0.12,633 0.222,634 0.157,635 0.068,636 0.014,637 0.083,638 -0.003,639 0.08,640 -0.079,641 0.057,642 -0.052,643 0.023,644 -0.014,645 -0.243,646 -0.021,647 -0.154,648 -0.029,649 -0.238,650 -0.052,651 0.068,652 0.128,653 0.077,654 0.225,655 0.01,656 0.161,657 2.684,658 5.162,659 0.72,660 21.085,661 1.022,662 1.134,663 1.53,664 2.341,665 0.65,666 3.332,667 3.638,668 3.85,669 4.06,670 4.304,671 4.29,672 4.357,673 4.431,674 4.5,675 4.533,676 6.04,677 0.637,678 346.39,679 3.332,680 4.86,681 5.687,682 6.547,683 7.393,684 8.256,685 9.109,686 9.973,687 10.83,688 11.695,689 4.5,695 1,699 1,704 5,705 1,709 6,711 12,720 1,726 1,729 1,730 1,731 44,733 13,734 1,735 27,737 46,738 18,739 11,740 3,741 3,742 1,746 3,747 3,752 1,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 19,782 7,783 1,784 7,790 2,794 1,795 4,805 1,812 3,838 1,839 1,840 3,844 1,846 1,848 25,853 1,854 5,856 2,859 1,869 1,870 9.1,872 1,873 1,874 1,875 1,877 13.167,878 8.16,879 5.5,880 2.547,881 2.268,882 1.326,883 0.938,884 5.512,885 9.231,886 3.555,887 4.111,888 4.605,889 5.101,890 5.622,891 5.716,892 5.915,893 6.092,894 6.406,895 6.732,896 0.857,897 37,898 9.28,900 3.955,901 8.067,902 17.241,904 13.798,905 2.567,906 64.167,909 1,910 211.88,911 100.925,912 19.91,914 89.828,915 14.96,917 100.925,918 301.708,919 34.87,920 8.825,921 17.989,922 47.381,923 96.524,924 37.617,925 17.288,926 211.88,928 211.88,929 120.835,930 104.788,933 226.84,934 78.828,935 11,937 29.571,938 74.479,939 16.786,941 226.84,942 109.738,943 100.925,946 211.88,947 44.719,948 59.331,950 121.574,951 211.88,952 124.698,953 100.925,955 0.581,956 0.328,957 0.169,958 0.098,959 17,960 8,961 0.109,962 5,964 1,965 3.687,966 200.46,968 18,969 112.096,974 17.648,975 7.809,976 4.469,978 124.698,979 7.304,980 4.51,984 2.138,986 42.683,987 437.503,988 34,993 11.401,997 -1.017,999 44.978,1000 49.911,1001 0.31,1002 0.686,1003 0.84,1004 0.889,1005 0.889,1006 0.889,1007 4.787,1008 1.206,1009 5.666,1010 3.759,1011 4.317,1012 4.796,1013 2.324,1014 6.431,1015 4.207,1016 5.975,1017 1,1018 7.201,1019 2.832,1020 3.892,1021 4.605,1022 0.325,1023 7.226,1024 3.747,1025 7.268,1026 1,1027 8.832,1028 2.492,1029 5.872,1030 6.916,1031 2.68,1032 10.277,1033 5.673,1034 8.591,1035 0.747,1036 10.517,1037 2.136,1038 6.217,1039 7.486,1040 0.268,1041 11.855,1042 5.987,1043 9.944,1045 12.236,1046 1.756,1047 7.688,1048 9.318,1049 3.191,1050 14.409,1051 7.41,1052 11.316,1053 -0.487,1054 13.977,1056 8.395,1057 10.246,1058 0.188,1059 16.326,1060 8.087,1061 12.704,1062 -0.514,1063 15.735,1064 -1.242,1065 9.644,1066 11.864,1067 3.789,1068 18.684,1069 9.294,1070 2.996,1071 -0.624,1072 17.504,1073 -1.257,1074 10.534,1075 12.981,1076 0.125,1077 20.76,1078 10.15,1079 2.852,1080 9.499,1081 19.282,1082 -1.759,1083 11.683,1084 14.49,1085 4.438,1086 23.037,1087 11.259,1088 2.599,1089 8.708,1090 21.066,1091 3.953,1092 12.664,1093 15.712,1094 0.082,1095 25.19,1096 12.205,1097 2.282,1098 8.039,1099 22.856,1100 3.876,1101 13.769,1102 17.16,1103 5.117,1104 27.435,1105 13.272,1106 2.094,1107 6.567,1108 24.65,1109 3.086,1110 14.796,1111 18.443,1112 0.054,1113 29.625,1114 14.263,1115 1.762,1116 5.794,1117 26.448,1118 2.827,1119 15.883,1120 19.856,1121 5.813,1122 31.858,1123 15.311,1124 1.472,1125 4.376,1126 28.248,1127 2.73,1128 16.935,1129 21.174,1130 0.035,1131 34.069,1132 16.326,1133 6786,1134 12415,1135 17.8,1136 28.62,1137 40.232,1138 41.587,1139 41.065,1140 40.045,1141 40.02,1142 50.171,1143 8.495,1144 111.913,1145 37.674,1146 5.327,1147 5.586,1148 6.059,1149 5.057,1150 4.996,1151 6.953,1152 2.873,1153 15.832,1154 4.881,1155 12.81,1156 1.49,1157 1.54,1158 1.521,1159 1.483,1160 1.482,1161 1.858,1162 0.315,1163 4.145,1164 1.395,1165 3.987,1166 4.018,1167 3.942,1168 3.873,1169 8.201,1170 3.883,1171 3.898,1172 3.926,1173 3.852,1174 3.801,1175 7.475,1176 3.81,1177 3.698,1178 3.742,1179 3.586,1180 3.492,1181 6.351,1182 3.506,1183 3.338,1184 3.347,1185 3.28,1186 3.096,1187 4.892,1188 3.127,1189 3.183,1190 3.263,1191 3.075,1192 3.021,1193 4.725,1194 3.003,1195 3.124,1196 3.206,1197 2.974,1198 2.941,1199 4.585,1200 2.91,1201 3.111,1202 3.148,1203 2.866,1204 2.839,1205 4.188,1206 2.889,1207 2.88,1208 2.925,1209 2.793,1210 2.704,1211 3.868,1212 2.716,1213 0.16,1214 0.133,1215 0.232,1216 0.146,1217 0.111,1218 4.327,1219 0.146,1220 3.586,1221 0.053,1222 6.258,1223 0.352,1224 3.954,1225 0.107,1226 2.996,1227 3.953,1228 1.437,1229 9.499,1230 2.881,1231 1.91,1232 1.888,1233 2.011,1234 2.056,1235 1.218,1236 2.04,1237 1.866,1238 1.838,1239 1.975,1240 1.988,1241 1.114,1242 1.987,1243 1.639,1244 1.588,1245 1.841,1246 1.857,1247 1.012,1248 1.852,1249 1.221,1250 1.195,1251 1.536,1252 1.496,1253 0.825,1254 1.469,1255 1.201,1256 1.123,1257 1.513,1258 1.419,1259 0.615,1260 1.455,1261 1.153,1262 1.064,1263 1.437,1264 1.376,1265 0.583,1266 1.429,1267 0.965,1268 0.946,1269 1.135,1270 1.306,1271 0.26,1272 1.249,1273 0.815,1274 0.772,1275 1.06,1276 1.066,1277 0.113,1278 1.05,1279 4.007,1281 5.313,1283 6.81,1285 8.392,1287 10.017,1289 1.749,1291 13.162,1294 9.339,1295 2.588,1297 11.006,1300 1.989,1305 28.027,1306 74.446,1307 164.89,1308 201.85,1309 213.46,1310 213.46,1311 213.46,1312 51.96,1313 6.963,1314 71.89,1315 71.89,1316 18,1317 12.243,1318 3.807,1319 3,1320 41.645,1321 89,1322 93,1323 0.225,1324 171.532,1325 305.83,1326 410.299,1327 9152,1328 2.3,1329 17.811,1330 0.712,1331 0.555,1332 16.941,1333 13.867,1334 12.025,1335 0.445,1336 0.296,1337 7.815,1338 11.332,1339 7.651,1340 6.28,1341 11.631,1342 7.986,1343 10.968,1344 0.296,1345 0.157,1346 10.335,1347 5.808,1348 8.692,1349 0.189,1350 0.086,1351 8.372,1352 3.959,1353 6.911,1354 0.121,1355 0.046,1356 6.576,1357 2.65,1358 5.726,1359 0.078,1360 0.024,1361 5.527,1362 1.738,1363 0.35,1364 77.061,1365 0.237,1366 24.24,1367 0.623,1368 128,1369 498.758,1370 147.204,1371 439.621,1372 576.16,1373 410,1374 147,1375 399.725,1376 165.039,1377 394.263,1378 574.75,1379 369,1380 5.155}
{0 CHEMBL469796,1 1.692,2 10.16,3 3.185,4 10.145,5 94.168,6 7.676,7 0.444,8 3.916,9 4.028,10 3.49,11 3.394,12 5.074,13 3.399,14 4.453,15 4.624,16 3.837,17 3.758,18 5.677,19 3.747,20 4.682,21 4.885,22 3.871,23 3.898,24 5.811,25 3.853,26 4.719,27 4.946,28 3.762,29 3.872,30 5.782,31 3.796,32 4.717,33 4.964,34 3.769,35 3.835,36 5.827,37 3.749,38 4.636,39 4.855,40 3.72,41 3.787,42 5.73,43 3.72,44 4.65,45 4.868,46 3.655,47 3.708,48 5.817,49 3.661,50 4.573,51 4.808,52 3.591,53 3.581,54 5.826,55 3.527,56 0.106,57 0.717,58 8.909,59 4.054,60 13.551,61 5.043,62 0.415,63 1.123,64 17.724,65 6.355,66 46.568,67 8.341,68 0.526,69 1.364,70 23.539,71 7.92,72 48.616,73 10.606,74 0.459,75 1.335,76 25.012,77 8.255,78 56.889,79 11.601,80 0.707,81 1.278,82 26.299,83 8.523,84 68.911,85 12.224,86 0.505,87 1.142,88 23.372,89 7.972,90 63.263,91 10.933,92 0.606,93 1.107,94 24.595,95 7.387,96 87.358,97 9.728,98 0.825,99 0.975,100 24.07,101 6.954,102 89.231,103 9.544,104 18,105 37,106 0.294,107 0.663,108 0.806,109 0.851,110 0.851,111 0.851,112 3.267,113 0.9,114 -2.76,115 -2.77,116 -2.69,119 40,120 1,125 5,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,174 1,175 4,178 1,180 3,183 4,184 2,186 1,187 4,190 1,192 6,195 3,199 1,200 2,204 1,207 1,211 3,212 3,215 3,217 1,218 1,220 2,224 4,227 1,228 1,232 5,237 3,238 1,245 5,246 2,249 1,250 5,253 2,255 2,258 3,259 3,263 3,268 3,275 947,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 15.009,282 24.666,283 9.903,284 17.103,285 13.333,286 13.333,287 13.333,288 13.333,289 13.333,290 10.784,291 35.137,292 4.737,293 14.063,294 3.8,295 1.674,296 0.853,297 0.595,298 0.595,299 0.595,300 3.947,303 1,304 1,305 1,306 538,307 2.915,311 254.247,318 1.366,319 34.149,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 56,331 254,332 4.327,333 3.586,334 6.258,335 3.955,336 2.996,337 3.953,338 1.437,339 9.499,340 2.884,341 4.226,342 3.144,343 6.059,344 3.827,345 2.852,346 3.876,347 0.86,348 8.708,349 2.781,350 3.819,351 3.092,352 5.86,353 3.555,354 2.599,355 3.086,356 0.8,357 8.039,358 2.459,359 3.567,360 2.746,361 5.244,362 3.243,363 2.282,364 2.827,365 0.657,366 6.567,367 2.184,368 3.438,369 2.581,370 4.954,371 3.026,372 2.094,373 2.73,375 5.794,376 1.93,377 2.938,378 2.273,379 4.411,380 2.68,381 1.762,382 2.002,384 4.376,385 1.611,386 2.842,387 1.883,388 4.169,389 2.455,390 1.472,391 1.958,393 3.759,394 1.445,395 2.645,396 1.664,397 3.728,398 2.165,399 1.206,400 1.604,402 2.832,403 1.137,404 2.2,405 1.37,406 3.485,407 1.952,408 1,409 1.17,411 2.492,412 0.946,413 2,414 1.256,415 3.267,416 1.916,417 1,418 1,420 2.136,421 0.904,422 1.963,423 0.992,424 3.247,425 1.685,426 0.747,427 0.881,428 1.756,429 0.697,430 1.262,431 0.441,432 2.649,433 0.95,438 0.83,439 0.4,440 2.528,441 0.463,442 -0.487,443 -0.564,445 -1.242,446 -0.458,447 0.803,448 0.009,449 2.359,450 0.432,451 -0.514,452 -0.621,454 -1.257,455 -0.472,456 0.762,457 -0.318,458 2.171,459 0.332,460 -0.624,461 -0.8,463 -1.759,464 -0.593,465 11.486,466 0.459,467 0.647,468 0.026,469 31,470 1.24,471 14.5,472 0.58,473 16.5,474 0.66,475 19.791,476 0.792,477 28.114,478 0.625,479 23.548,480 0.942,481 6.439,482 0.258,483 5.585,484 0.223,485 0.126,487 0.34,491 1,493 0.76,494 1.25,495 0.754,496 1.159,497 0.646,498 0.993,499 0.84,500 1.058,501 0.848,502 0.961,503 0.485,504 0.91,505 0.962,506 1.073,507 1.048,508 1.025,509 0.785,510 1.042,511 0.837,512 1.106,513 1.048,514 1.132,515 0.833,516 1.133,517 0.585,518 0.796,519 0.866,520 0.928,521 0.688,522 0.962,523 0.812,524 0.926,525 0.939,526 1.045,527 0.861,528 1.033,529 1.313,530 0.911,531 1.16,532 0.982,533 1.436,534 1.014,535 1.008,536 0.646,537 0.906,538 0.725,539 1.068,540 0.784,541 5.5,542 0.136,543 2.667,544 1.313,545 1.338,546 0.944,547 0.327,548 0.431,549 0.348,550 0.146,551 6929,552 22026,553 2.038,554 44.4,555 3,556 15,559 2,564 1.683,565 1.899,566 3.305,567 0.312,568 1,569 1,571 1,573 76.126,574 1.692,575 3.818,576 4.639,577 4.897,578 4.897,579 4.897,580 2.663,581 4.103,582 4.617,583 3.448,584 1034.37,585 7.997,586 12683,588 1,590 1,591 247.133,592 1.44,593 4.569,594 0.204,595 0.009,596 0.072,597 0.035,598 0.042,599 0.03,600 0.011,601 0.015,602 0.013,603 0.007,604 0.438,605 0.33,606 1,607 0.795,608 120.605,609 -0.076,610 -0.161,611 0.028,612 -0.056,613 -0.065,614 0.001,615 -0.012,616 -0.049,617 0.034,618 0.044,619 0.131,620 0.05,621 -0.11,622 -0.032,623 -0.13,624 -0.044,625 -0.044,626 -0.082,627 -0.099,628 -0.165,629 -0.127,630 -0.162,631 -0.081,632 -0.15,633 0.194,634 0.156,635 0.093,636 0.035,637 0.07,638 0.032,639 -0.005,640 -0.06,641 -0.003,642 -0.06,643 -0.038,644 -0.038,645 -0.232,646 -0.019,647 -0.166,648 -0.043,649 -0.237,650 -0.071,651 0.1,652 0.138,653 0.128,654 0.203,655 0.042,656 0.176,657 2.656,658 5.19,659 0.72,660 21.085,661 1.017,662 1.138,663 1.53,664 2.341,665 0.648,666 3.332,667 3.638,668 3.85,669 4.06,670 4.304,671 4.29,672 4.357,673 4.431,674 4.5,675 4.533,676 6.04,677 0.63,678 345.41,679 3.332,680 4.86,681 5.687,682 6.547,683 7.393,684 8.256,685 9.109,686 9.973,687 10.83,688 11.695,689 6.7,694 1,695 1,699 1,704 5,705 1,709 6,711 12,720 1,724 1,726 1,730 1,731 45,733 13,734 1,735 27,737 47,738 18,739 11,740 3,741 3,742 1,746 3,747 3,752 1,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 20,782 7,783 2,784 7,790 3,794 1,795 3,805 1,812 3,838 1,839 1,840 3,844 1,846 1,848 25,853 1,854 5,855 1,856 1,859 1,869 1,870 6.7,872 1,873 1,874 1,877 13.167,878 8.243,879 5.5,880 2.609,881 2.268,882 1.326,883 0.949,884 5.512,885 9.231,886 3.555,887 4.111,888 4.605,889 5.101,890 5.622,891 5.716,892 5.915,893 6.092,894 6.406,895 6.732,896 0.857,897 37,898 9.275,900 3.947,901 8.027,902 17.339,904 13.954,905 2.527,906 63.167,909 1,910 211.88,911 95.952,912 37.921,914 78.828,915 14.96,917 95.952,918 290.708,919 52.881,920 8.825,921 15.502,922 47.381,923 114.534,924 24.13,925 17.288,926 211.88,928 211.88,929 133.872,930 93.788,933 226.84,934 67.828,935 11,937 27.084,938 71.992,939 34.796,941 226.84,942 116.749,943 95.952,946 211.88,947 39.745,948 59.331,949 18.011,950 110.574,951 211.88,952 131.709,953 95.952,955 0.581,956 0.328,957 0.169,958 0.098,959 17,960 8,961 0.106,962 5,964 1,965 3.687,966 200.46,968 18,969 112.096,974 17.648,975 7.809,976 4.469,978 131.709,979 7.63,980 4.572,984 2.73,986 60.694,987 439.54,988 34,993 11.421,997 -0.99,999 45.752,1000 51.2,1001 0.308,1002 0.695,1003 0.845,1004 0.892,1005 0.892,1006 0.892,1007 4.787,1008 1.206,1009 5.666,1010 3.759,1011 4.317,1012 4.796,1013 2.132,1014 6.431,1015 4.221,1016 5.975,1017 1,1018 7.201,1019 2.832,1020 3.892,1021 4.605,1022 0.325,1023 7.226,1024 3.761,1025 7.268,1026 1,1027 8.832,1028 2.492,1029 5.872,1030 6.916,1031 2.438,1032 10.277,1033 5.699,1034 8.591,1035 0.747,1036 10.517,1037 2.136,1038 6.217,1039 7.486,1040 0.268,1041 11.855,1042 6.015,1043 9.944,1045 12.236,1046 1.756,1047 7.688,1048 9.318,1049 2.987,1050 14.409,1051 7.447,1052 11.316,1053 -0.487,1054 13.977,1056 8.395,1057 10.246,1058 0.188,1059 16.326,1060 8.128,1061 12.704,1062 -0.514,1063 15.735,1064 -1.242,1065 9.644,1066 11.864,1067 3.641,1068 18.684,1069 9.341,1070 2.996,1071 -0.624,1072 17.504,1073 -1.257,1074 10.534,1075 12.981,1076 0.125,1077 20.76,1078 10.203,1079 2.852,1080 9.499,1081 19.282,1082 -1.759,1083 11.683,1084 14.49,1085 4.337,1086 23.037,1087 11.317,1088 2.599,1089 8.708,1090 21.066,1091 3.953,1092 12.664,1093 15.712,1094 0.082,1095 25.19,1096 12.268,1097 2.282,1098 8.039,1099 22.856,1100 3.876,1101 13.769,1102 17.16,1103 5.05,1104 27.435,1105 13.339,1106 2.094,1107 6.567,1108 24.65,1109 3.086,1110 14.796,1111 18.443,1112 0.054,1113 29.625,1114 14.335,1115 1.762,1116 5.794,1117 26.448,1118 2.827,1119 15.883,1120 19.856,1121 5.77,1122 31.858,1123 15.388,1124 1.472,1125 4.376,1126 28.248,1127 2.73,1128 16.935,1129 21.174,1130 0.035,1131 34.069,1132 16.407,1133 6786,1134 12201,1135 17.8,1136 29.171,1137 40.232,1138 41.37,1139 41.065,1140 40.064,1141 40.02,1142 50.171,1143 7.508,1144 111.913,1145 37.958,1146 5.327,1147 5.586,1148 6.059,1149 5.059,1150 4.996,1151 6.953,1152 2.873,1153 15.832,1154 4.884,1155 12.81,1156 1.49,1157 1.532,1158 1.521,1159 1.484,1160 1.482,1161 1.858,1162 0.278,1163 4.145,1164 1.406,1165 3.995,1166 4.034,1167 3.947,1168 3.886,1169 8.201,1170 3.894,1171 3.901,1172 3.934,1173 3.854,1174 3.801,1175 7.475,1176 3.811,1177 3.698,1178 3.744,1179 3.587,1180 3.494,1181 6.351,1182 3.507,1183 3.366,1184 3.41,1185 3.295,1186 3.142,1187 4.851,1188 3.164,1189 3.185,1190 3.263,1191 3.095,1192 3.021,1193 4.656,1194 3.003,1195 3.146,1196 3.206,1197 2.978,1198 2.941,1199 4.585,1200 2.91,1201 3.111,1202 3.175,1203 2.866,1204 2.848,1205 4.005,1206 2.904,1207 2.895,1208 2.951,1209 2.8,1210 2.722,1211 3.868,1212 2.73,1213 0.16,1214 0.133,1215 0.232,1216 0.146,1217 0.111,1218 4.327,1219 0.146,1220 3.586,1221 0.053,1222 6.258,1223 0.352,1224 3.955,1225 0.107,1226 2.996,1227 3.953,1228 1.437,1229 9.499,1230 2.884,1231 1.927,1232 1.897,1233 2.03,1234 2.065,1235 1.221,1236 2.053,1237 1.867,1238 1.838,1239 1.975,1240 1.997,1241 1.146,1242 1.995,1243 1.641,1244 1.589,1245 1.844,1246 1.858,1247 1.019,1248 1.854,1249 1.281,1250 1.229,1251 1.543,1252 1.54,1253 0.825,1254 1.524,1255 1.202,1256 1.123,1257 1.513,1258 1.419,1259 0.669,1260 1.461,1261 1.153,1262 1.064,1263 1.494,1264 1.376,1265 0.584,1266 1.429,1267 0.973,1268 0.955,1269 1.135,1270 1.331,1271 0.263,1272 1.261,1273 0.838,1274 0.787,1275 1.07,1276 1.089,1277 0.125,1278 1.078,1279 4.007,1281 5.313,1283 6.81,1285 8.392,1287 10.017,1289 1.811,1291 13.19,1294 9.359,1295 2.91,1296 3.187,1297 5.329,1300 2.016,1305 28.333,1306 76.126,1307 171.808,1308 208.769,1309 220.379,1310 220.379,1311 220.379,1312 50.6,1313 6.963,1314 74.69,1315 74.69,1316 18,1317 12.243,1318 3.807,1319 3,1320 41.645,1321 89,1322 93,1323 0.225,1324 174.33,1325 308.04,1326 417.126,1327 9152,1328 2.2,1329 17.811,1330 0.712,1331 0.558,1332 16.941,1333 13.958,1334 12.025,1335 0.445,1336 0.3,1337 7.94,1338 11.391,1339 7.769,1340 6.389,1341 11.631,1342 8.097,1343 10.968,1344 0.296,1345 0.16,1346 10.335,1347 5.923,1348 8.692,1349 0.189,1350 0.089,1351 8.372,1352 4.095,1353 6.911,1354 0.121,1355 0.048,1356 6.576,1357 2.752,1358 5.726,1359 0.078,1360 0.025,1361 5.527,1362 1.824,1363 0.35,1364 76.607,1365 0.237,1366 24.24,1367 0.623,1368 128,1369 469.355,1370 145.382,1371 418.754,1372 550.52,1373 390,1374 147,1375 383.96,1376 163.023,1377 380.721,1378 553.61,1379 357,1380 5.301}
{0 CHEMBL469797,1 1.669,2 10.16,3 2.919,4 8.52,5 95.849,6 7.488,7 0.444,8 3.931,9 4.059,10 3.483,11 3.413,12 5.071,13 3.409,14 4.464,15 4.653,16 3.833,17 3.789,18 5.663,19 3.763,20 4.724,21 4.949,22 3.87,23 3.932,24 5.814,25 3.872,26 4.759,27 4.998,28 3.761,29 3.892,30 5.795,31 3.808,32 4.722,33 4.974,34 3.763,35 3.849,36 5.817,37 3.757,38 4.651,39 4.879,40 3.716,41 3.81,42 5.733,43 3.734,44 4.672,45 4.899,46 3.646,47 3.742,48 5.814,49 3.679,50 4.591,51 4.842,52 3.58,53 3.624,54 5.786,55 3.554,56 0.087,57 0.758,58 9.486,59 3.95,60 12.209,61 5.246,62 0.325,63 1.189,64 18.081,65 6.241,66 42.15,67 8.84,68 0.42,69 1.426,70 25.059,71 8.193,72 46.877,73 11.592,74 0.421,75 1.359,76 26.684,77 8.458,78 55.89,79 12.261,80 0.64,81 1.29,82 26.453,83 8.528,84 65.508,85 12.393,86 0.444,87 1.178,88 23.85,89 7.884,90 59.448,91 11.216,92 0.538,93 1.146,94 25.28,95 7.435,96 82.47,97 10.251,98 0.615,99 1.026,100 24.06,101 6.998,102 74.555,103 10.011,104 18,105 37,106 0.289,107 0.65,108 0.781,109 0.855,110 0.855,111 0.855,112 3.267,113 0.914,114 -2.76,115 -2.77,116 -2.69,119 39.1,120 1,125 5,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,174 1,175 4,178 1,180 3,183 4,184 2,187 4,190 2,192 6,195 3,199 1,200 2,204 1,207 1,211 2,212 2,215 4,217 2,218 1,220 2,224 3,227 1,228 1,229 1,232 5,237 2,242 1,243 1,245 5,246 2,250 5,253 1,254 2,255 2,258 3,259 3,263 3,268 3,275 947,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 15.009,282 26.126,283 9.903,284 17.02,285 13.333,286 13.333,287 13.333,288 13.333,289 13.333,290 10.784,291 38.597,292 4.737,293 13.946,294 3.854,295 1.768,296 1.008,297 0.582,298 0.582,299 0.582,300 3.947,303 1,304 1,305 1,306 538,307 2.915,311 254.247,318 1.366,319 32.287,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 55.5,331 254,332 4.327,333 3.586,334 6.258,335 3.956,336 2.996,337 3.953,338 1.437,339 9.499,340 2.885,341 4.226,342 3.136,343 6.059,344 3.827,345 2.852,346 3.876,347 0.8,348 8.708,349 2.781,350 3.819,351 3.089,352 5.86,353 3.557,354 2.599,355 3.086,356 0.657,357 8.039,358 2.465,359 3.567,360 2.738,361 5.244,362 3.244,363 2.282,364 2.827,365 0.4,366 6.567,367 2.187,368 3.438,369 2.57,370 4.954,371 3.027,372 2.094,373 2.73,375 5.794,376 1.931,377 2.938,378 2.048,379 4.411,380 2.71,381 1.762,382 2.002,384 4.376,385 1.665,386 2.842,387 1.812,388 4.169,389 2.457,390 1.472,391 1.958,393 3.759,394 1.448,395 2.645,396 1.663,397 3.728,398 2.18,399 1.206,400 1.604,402 2.832,403 1.159,404 2.2,405 1.304,406 3.485,407 1.967,408 1,409 1.17,411 2.492,412 0.965,413 2,414 1.146,415 3.267,416 1.942,417 1,418 1,420 2.136,421 0.935,422 1.963,423 0.991,424 3.247,425 1.685,426 0.747,427 0.881,428 1.756,429 0.697,430 1.262,431 0.44,432 2.649,433 0.95,438 0.83,439 0.4,440 2.528,441 0.472,442 -0.487,443 -0.564,445 -1.242,446 -0.463,447 0.803,448 0.009,449 2.359,450 0.434,451 -0.514,452 -0.621,454 -1.257,455 -0.473,456 0.762,457 -0.343,458 2.171,459 0.332,460 -0.624,461 -0.8,463 -1.759,464 -0.593,465 11.552,466 0.462,467 0.647,468 0.026,469 31,470 1.24,471 14.5,472 0.58,473 16.5,474 0.66,475 19.932,476 0.797,477 28.048,478 0.61,479 23.407,480 0.936,481 6.383,482 0.255,483 5.642,484 0.226,485 0.126,487 0.338,491 1,493 0.762,494 1.27,495 0.789,496 1.12,497 0.64,498 0.985,499 0.682,500 1.096,501 0.839,502 0.997,503 0.433,504 0.945,505 0.894,506 1.035,507 1.007,508 1.032,509 0.735,510 1.029,511 0.907,512 1.06,513 1.035,514 1.092,515 0.824,516 1.087,517 0.628,518 0.803,519 0.883,520 0.943,521 0.706,522 0.969,523 0.833,524 0.941,525 0.962,526 1.049,527 0.868,528 1.04,529 1.373,530 0.94,531 1.169,532 0.983,533 1.434,534 1.022,535 1.013,536 0.671,537 0.918,538 0.793,539 1.082,540 0.834,541 5.5,542 0.136,543 2.667,544 1.313,545 1.338,546 0.944,547 0.327,548 0.431,549 0.348,550 0.146,551 6929,552 20754,553 2.038,554 45.7,555 3,556 15,559 3,564 1.683,565 1.899,566 3.305,567 1.005,568 1,569 1,573 76.787,574 1.669,575 3.756,576 4.516,577 4.942,578 4.942,579 4.942,580 2.663,581 4.103,582 4.617,583 3.448,584 1034.37,585 7.997,586 12683,588 1,590 1,591 254.084,592 1.44,593 4.569,594 0.204,595 0.009,596 0.072,597 0.035,598 0.042,599 0.03,600 0.011,601 0.015,602 0.013,603 0.007,604 0.438,605 0.33,606 1,607 0.795,608 120.605,609 -0.088,610 -0.151,611 0.019,612 -0.017,613 -0.063,614 0.019,615 0.043,616 -0.053,617 0.04,618 0.012,619 0.157,620 0.028,621 -0.084,622 -0.007,623 -0.08,624 -0.05,625 -0.017,626 -0.056,627 -0.104,628 -0.144,629 -0.093,630 -0.12,631 -0.071,632 -0.104,633 0.198,634 0.147,635 0.078,636 0.031,637 0.063,638 0.021,639 -0.003,640 -0.065,641 -0.023,642 -0.06,643 -0.041,644 -0.05,645 -0.24,646 -0.05,647 -0.173,648 -0.035,649 -0.229,650 -0.076,651 0.039,652 0.136,653 0.094,654 0.137,655 0.009,656 0.125,657 2.641,658 5.195,659 0.72,660 21.085,661 1.011,662 1.141,663 1.53,664 2.341,665 0.646,666 3.332,667 3.638,668 3.85,669 4.06,670 4.304,671 4.29,672 4.357,673 4.431,674 4.5,675 4.533,676 6.04,677 0.623,678 344.43,679 3.332,680 4.86,681 5.687,682 6.547,683 7.393,684 8.256,685 9.109,686 9.973,687 10.83,688 11.695,689 8.7,691 1,694 1,695 1,699 1,704 5,705 1,709 6,711 12,720 1,724 1,726 1,730 1,731 46,733 13,734 1,735 27,737 48,738 18,739 11,740 3,741 3,742 1,746 3,747 3,752 1,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 21,782 7,783 3,784 7,790 4,794 1,795 2,805 1,812 3,835 1,838 1,840 3,844 1,846 1,848 25,853 1,854 5,855 2,859 1,869 1,870 4.3,872 1,873 1,877 13.167,878 8.326,879 5.5,880 2.693,881 2.268,882 1.326,883 0.96,884 5.512,885 9.231,886 3.555,887 4.111,888 4.605,889 5.101,890 5.622,891 5.716,892 5.915,893 6.092,894 6.406,895 6.732,896 0.857,897 37,898 9.276,900 3.948,901 7.987,902 17.436,904 14.114,905 2.487,906 62.167,909 1,910 211.88,911 90.978,912 55.931,914 67.828,915 14.96,917 90.978,918 279.708,919 70.891,920 8.825,921 10.529,922 65.392,923 103.534,924 24.13,925 17.288,926 211.88,928 211.88,929 146.91,930 82.788,933 226.84,934 67.828,937 40.121,938 71.992,939 34.796,941 226.84,942 123.76,943 90.978,946 211.88,947 34.772,948 59.331,949 36.022,950 99.574,951 211.88,952 138.72,953 90.978,955 0.581,956 0.328,957 0.169,958 0.098,959 17,960 8,961 0.104,962 5,964 1,965 3.687,966 200.46,968 18,969 112.096,974 17.648,975 7.809,976 4.469,978 138.72,979 7.696,980 4.6,984 2.835,986 78.705,987 441.578,988 34,993 11.433,997 -0.974,999 46.527,1000 52.489,1001 0.302,1002 0.68,1003 0.818,1004 0.895,1005 0.895,1006 0.895,1007 4.787,1008 1.206,1009 5.666,1010 3.759,1011 4.317,1012 4.796,1013 1.984,1014 6.431,1015 4.232,1016 5.975,1017 1,1018 7.201,1019 2.832,1020 3.892,1021 4.605,1022 0.325,1023 7.226,1024 3.761,1025 7.268,1026 1,1027 8.832,1028 2.492,1029 5.872,1030 6.916,1031 2.342,1032 10.277,1033 5.711,1034 8.591,1035 0.747,1036 10.517,1037 2.136,1038 6.217,1039 7.486,1040 0.268,1041 11.855,1042 6.015,1043 9.944,1045 12.236,1046 1.756,1047 7.688,1048 9.318,1049 2.946,1050 14.409,1051 7.457,1052 11.316,1053 -0.487,1054 13.977,1056 8.395,1057 10.246,1058 0.188,1059 16.326,1060 8.129,1061 12.704,1062 -0.514,1063 15.735,1064 -1.242,1065 9.644,1066 11.864,1067 3.625,1068 18.684,1069 9.348,1070 2.996,1071 -0.624,1072 17.504,1073 -1.257,1074 10.534,1075 12.981,1076 0.125,1077 20.76,1078 10.205,1079 2.852,1080 9.499,1081 19.282,1082 -1.759,1083 11.683,1084 14.49,1085 4.331,1086 23.037,1087 11.323,1088 2.599,1089 8.708,1090 21.066,1091 3.953,1092 12.664,1093 15.712,1094 0.082,1095 25.19,1096 12.271,1097 2.282,1098 8.039,1099 22.856,1100 3.876,1101 13.769,1102 17.16,1103 5.048,1104 27.435,1105 13.344,1106 2.094,1107 6.567,1108 24.65,1109 3.086,1110 14.796,1111 18.443,1112 0.054,1113 29.625,1114 14.339,1115 1.762,1116 5.794,1117 26.448,1118 2.827,1119 15.883,1120 19.856,1121 5.769,1122 31.858,1123 15.393,1124 1.472,1125 4.376,1126 28.248,1127 2.73,1128 16.935,1129 21.174,1130 0.035,1131 34.069,1132 16.411,1133 6786,1134 11859,1135 17.8,1136 29.722,1137 40.232,1138 41.248,1139 41.065,1140 40.081,1141 40.02,1142 50.171,1143 6.588,1144 111.913,1145 38.234,1146 5.327,1147 5.586,1148 6.059,1149 5.023,1150 4.996,1151 6.953,1152 2.873,1153 15.832,1154 4.885,1155 12.81,1156 1.49,1157 1.528,1158 1.521,1159 1.484,1160 1.482,1161 1.858,1162 0.244,1163 4.145,1164 1.416,1165 3.997,1166 4.039,1167 3.948,1168 3.887,1169 8.201,1170 3.895,1171 3.903,1172 3.939,1173 3.855,1174 3.803,1175 7.475,1176 3.812,1177 3.723,1178 3.788,1179 3.606,1180 3.534,1181 6.351,1182 3.541,1183 3.366,1184 3.411,1185 3.296,1186 3.143,1187 4.845,1188 3.165,1189 3.189,1190 3.264,1191 3.104,1192 3.021,1193 4.653,1194 3.004,1195 3.16,1196 3.211,1197 2.983,1198 2.941,1199 4.363,1200 2.923,1201 3.111,1202 3.206,1203 2.866,1204 2.872,1205 3.986,1206 2.91,1207 2.921,1208 2.995,1209 2.815,1210 2.729,1211 3.867,1212 2.739,1213 0.16,1214 0.133,1215 0.232,1216 0.147,1217 0.111,1218 4.327,1219 0.146,1220 3.586,1221 0.053,1222 6.258,1223 0.352,1224 3.956,1225 0.107,1226 2.996,1227 3.953,1228 1.437,1229 9.499,1230 2.885,1231 1.928,1232 1.897,1233 2.033,1234 2.071,1235 1.263,1236 2.061,1237 1.871,1238 1.839,1239 1.993,1240 2.004,1241 1.15,1242 2.005,1243 1.684,1244 1.616,1245 1.872,1246 1.883,1247 1.027,1248 1.883,1249 1.283,1250 1.229,1251 1.543,1252 1.54,1253 0.825,1254 1.526,1255 1.202,1256 1.123,1257 1.513,1258 1.419,1259 0.674,1260 1.461,1261 1.153,1262 1.064,1263 1.496,1264 1.376,1265 0.584,1266 1.429,1267 1.007,1268 0.972,1269 1.206,1270 1.357,1271 0.353,1272 1.3,1273 0.85,1274 0.795,1275 1.07,1276 1.144,1277 0.126,1278 1.125,1279 4.007,1281 5.313,1283 6.81,1285 8.392,1287 10.017,1289 1.818,1291 13.195,1294 9.371,1295 3.648,1296 6.465,1300 2.079,1305 28.64,1306 76.787,1307 172.759,1308 207.719,1309 227.329,1310 227.329,1311 227.329,1312 49.977,1313 6.963,1314 77.49,1315 77.49,1316 18,1317 12.243,1318 3.807,1319 3,1320 41.645,1321 89,1322 93,1323 0.225,1324 177.128,1325 310.25,1326 423.953,1327 9152,1328 2.2,1329 17.811,1330 0.712,1331 0.562,1332 16.941,1333 14.05,1334 12.025,1335 0.445,1336 0.305,1337 8.085,1338 11.459,1339 7.91,1340 6.535,1341 11.631,1342 8.227,1343 10.968,1344 0.296,1345 0.164,1346 10.335,1347 6.06,1348 8.692,1349 0.189,1350 0.091,1351 8.372,1352 4.201,1353 6.911,1354 0.121,1355 0.05,1356 6.576,1357 2.853,1358 5.726,1359 0.078,1360 0.026,1361 5.527,1362 1.921,1363 0.35,1364 76.107,1365 0.237,1366 24.24,1367 0.623,1368 128,1369 439.952,1370 143.891,1371 398.258,1372 526.76,1373 370,1374 147,1375 373.451,1376 161.642,1377 371.75,1378 539.57,1379 349,1380 4}
{0 CHEMBL469806,1 1.734,2 10.043,3 2.605,4 6.784,5 87.151,6 7.79,7 0.5,8 3.813,9 3.929,10 3.373,11 3.28,12 5.057,13 3.288,14 4.291,15 4.458,16 3.699,17 3.619,18 5.618,19 3.605,20 4.529,21 4.737,22 3.736,23 3.724,24 5.76,25 3.688,26 4.555,27 4.775,28 3.636,29 3.682,30 5.706,31 3.628,32 4.541,33 4.774,34 3.633,35 3.647,36 5.793,37 3.574,38 4.506,39 4.743,40 3.522,41 3.584,42 5.669,43 3.519,44 4.412,45 4.628,46 3.481,47 3.514,48 5.628,49 3.473,50 4.366,51 4.576,52 3.486,53 3.423,54 5.835,55 3.383,56 0.147,57 0.652,58 8.003,59 3.555,60 20.615,61 4.365,62 0.355,63 0.988,64 14.48,65 5.558,66 51.502,67 7.293,68 0.499,69 1.17,70 20.168,71 6.623,72 55.952,73 8.954,74 0.488,75 1.117,76 21.244,77 6.626,78 64.333,79 9.234,80 0.658,81 1.069,82 21.573,83 6.926,84 73.623,85 9.831,86 0.594,87 0.951,88 21.516,89 6.463,90 83.901,91 9.075,92 0.499,93 0.901,94 19.029,95 5.893,96 76.68,97 7.776,98 0.685,99 0.826,100 18.601,101 5.7,102 101.698,103 7.709,104 32,105 32,106 0.309,107 0.703,108 0.848,109 0.907,110 0.907,111 0.907,112 3.188,113 0.885,114 -2.28,115 -2.32,116 -2.29,119 39,120 1,125 3,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,175 3,178 2,180 4,183 4,184 2,187 3,190 1,191 1,192 7,195 3,200 1,204 2,205 1,207 1,211 1,212 2,215 3,216 2,217 2,218 1,220 2,224 3,227 1,228 1,229 1,232 5,242 3,243 1,245 5,246 2,250 2,253 1,254 2,255 5,258 3,259 3,263 3,268 3,275 780,276 15.162,277 15.162,278 15.162,279 15.162,280 15.162,281 13.493,282 21.427,283 9.173,284 15.454,285 11.81,286 11.81,287 11.81,288 11.81,289 11.81,290 9.231,291 31.684,292 4.338,293 12.319,294 3.624,295 1.409,296 0.594,297 0.262,298 0.262,299 0.262,300 3.848,303 1,304 1,305 1,306 469,307 3.317,311 164.53,318 1.353,319 34.992,320 1,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 52,331 231,332 4.288,333 3.583,334 6.071,335 3.895,336 2.917,337 3.927,338 1.437,339 8.864,340 2.851,341 4.223,342 3.103,343 6.041,344 3.82,345 2.841,346 3.873,347 0.657,348 8.687,349 2.778,350 3.698,351 2.876,352 5.399,353 3.325,354 2.359,355 3.011,356 0.4,357 6.883,358 2.261,359 3.479,360 2.646,361 5.029,362 3.111,363 2.173,364 2.784,366 6.081,367 2.035,368 3.358,369 2.376,370 4.942,371 2.992,372 2.047,373 2.61,375 5.761,376 1.912,377 2.848,378 1.871,379 4.172,380 2.462,381 1.48,382 1.978,384 3.767,385 1.452,386 2.669,387 1.676,388 3.738,389 2.342,390 1.398,391 1.633,393 2.82,394 1.31,395 2.439,396 1.646,397 3.423,398 2.104,399 1.113,400 1.427,402 2.505,403 1.083,404 1.965,405 1.004,406 3.267,407 1.688,408 0.751,409 0.884,411 1.76,412 0.699,413 1.382,414 0.758,415 2.657,416 1.157,417 0.274,418 0.295,420 0.447,421 0.24,422 1.26,423 0.44,424 2.568,425 0.95,430 0.805,431 0.4,432 2.359,433 0.44,434 -0.514,435 -0.621,436 -1.242,437 -0.471,438 0.786,439 0.009,440 2.176,441 0.355,442 -0.575,443 -0.696,445 -1.295,446 -0.534,447 0.728,448 -0.348,449 2,450 0.331,451 -0.627,452 -0.806,454 -1.764,455 -0.594,456 0.433,457 -0.416,458 1.694,459 0.009,460 -1,461 -1.116,463 -2,464 -0.909,465 10.486,466 0.456,467 0.596,468 0.026,469 29,470 1.261,471 14.5,472 0.63,473 14.5,474 0.63,475 16.731,476 0.727,477 26.114,478 0.637,479 22.145,480 0.963,481 6.156,482 0.268,483 4.835,484 0.21,485 0.17,487 0.334,491 1,493 0.825,494 1.15,495 0.796,496 1.051,497 0.75,498 0.937,499 0.677,500 1.13,501 0.806,502 1.062,503 0.556,504 0.985,505 0.906,506 1.089,507 0.992,508 1.024,509 0.819,510 1.018,511 0.943,512 1.101,513 1.054,514 1.092,515 0.864,516 1.091,517 0.62,518 0.892,519 0.931,520 1.055,521 0.688,522 1.082,523 0.905,524 0.799,525 0.958,526 0.871,527 0.928,528 0.918,529 1.165,530 0.919,531 1.079,532 0.971,533 1.171,534 0.984,535 0.874,536 0.797,537 0.913,538 0.93,539 0.902,540 0.945,541 5.5,542 0.124,543 2.222,544 1.375,545 1.347,546 0.729,547 0.346,548 0.443,549 0.25,550 0.151,551 5220,552 18877,553 1.946,554 43.9,555 3,556 11,559 4,564 1.659,565 1.792,566 3.292,567 1.865,568 1,569 1,571 1,573 71.091,574 1.734,575 3.949,576 4.763,577 5.095,578 5.095,579 5.095,580 2.67,581 4.437,582 4.494,583 3.428,584 867.301,585 7.748,586 10149.6,587 1,588 1,590 1,591 219.66,592 1.51,593 4.433,594 0.229,595 0.011,596 0.069,597 0.043,598 0.048,599 0.027,600 0.014,601 0.018,602 0.011,603 0.009,604 0.48,605 0.17,606 1,607 1.375,608 108.441,609 -0.131,610 -0.055,611 -0.024,612 0.059,613 -0.118,614 0.053,615 0.043,616 -0.098,617 0.037,618 -0.018,619 0.103,620 0.001,621 -0.085,622 -0.04,623 -0.078,624 -0.04,625 -0.057,626 -0.051,627 -0.138,628 -0.158,629 -0.125,630 -0.13,631 -0.104,632 -0.121,633 0.197,634 0.091,635 0.017,636 -0.086,637 0.083,638 -0.096,639 -0.05,640 0.03,641 0.011,642 0.076,643 -0.081,644 0.065,645 -0.195,646 0.011,647 -0.112,648 -0.004,649 -0.182,650 -0.018,651 0.163,652 0.033,653 0.078,654 0.032,655 0.164,656 0.024,657 2.723,658 5.09,659 0.522,660 19.989,661 1.021,662 1.141,663 1.055,664 1.113,665 0.644,666 3.219,667 3.497,668 3.664,669 3.85,670 4.06,671 4.025,672 4.025,673 4.043,674 4.06,675 4.094,676 5.928,677 0.629,678 319.37,679 3.219,680 4.727,681 5.533,682 6.382,683 7.212,684 8.064,685 8.902,686 9.756,687 10.598,688 11.453,689 7.3,694 2,699 1,704 5,705 1,709 6,711 12,720 1,724 2,730 1,731 41,733 13,734 1,735 24,737 42,738 16,739 11,740 3,741 3,742 1,746 2,747 2,752 2,761 12,762 4,766 1,771 1,775 1,777 1,778 1,779 1,781 18,782 7,783 4,784 7,790 3,794 1,795 3,796 1,805 1,812 2,838 2,840 2,844 1,846 1,848 23,853 2,854 3,855 2,869 1,870 7.3,871 1,872 1,873 1,877 12.833,878 7.326,879 5.222,880 2.23,881 2.297,882 1.353,883 0.908,884 5.906,885 8.81,886 3.466,887 4.025,888 4.511,889 5.009,890 5.52,891 5.564,892 5.696,893 5.82,894 6.156,895 6.506,896 0.857,897 32,898 8.493,900 3.551,901 8.246,902 15.505,904 12.052,905 2.746,906 63.167,909 1,910 164.795,911 84.661,912 52.807,914 110.512,915 14.96,917 84.661,918 275.307,919 67.767,920 8.825,921 4.211,922 90.065,923 121.545,924 21.006,925 17.288,926 164.795,928 164.795,929 137.468,930 125.472,933 179.756,934 67.828,935 42.683,937 15.793,938 68.868,939 52.807,941 179.756,942 163.319,943 84.661,946 164.795,947 28.455,948 56.206,949 36.022,950 142.257,951 164.795,952 178.279,953 84.661,955 0.57,956 0.315,957 0.16,958 0.096,959 13,960 7,961 0.167,962 7,964 1,965 3.473,966 168.548,968 12,969 104.042,974 17.189,975 7.902,976 4.911,978 178.279,979 7.266,980 4.293,984 2.195,986 121.388,987 427.735,988 31,993 11.178,997 -1.057,999 41.869,1000 46.784,1001 0.324,1002 0.737,1003 0.889,1004 0.951,1005 0.951,1006 0.951,1007 4.673,1008 1.113,1009 5.509,1010 2.82,1011 4.174,1012 4.71,1013 1.842,1014 6.252,1015 4.098,1016 5.871,1017 0.751,1018 7.033,1019 2.505,1020 3.761,1021 4.543,1023 7.008,1024 3.654,1025 7.165,1026 0.274,1027 8.65,1028 1.76,1029 5.707,1030 6.857,1031 2.297,1032 10.032,1033 5.572,1034 8.49,1036 10.319,1037 0.447,1038 6.043,1039 7.426,1041 11.54,1042 5.886,1043 9.843,1044 -0.514,1045 12.02,1047 7.492,1048 9.269,1049 2.931,1050 14.076,1051 7.311,1052 11.214,1053 -0.575,1054 13.742,1055 -1.242,1056 8.185,1057 10.189,1059 15.922,1060 7.987,1061 12.599,1062 -0.627,1063 15.479,1064 -1.295,1065 9.418,1066 11.817,1067 3.621,1068 18.258,1069 9.199,1070 2.917,1071 -1,1072 17.226,1073 -1.764,1074 10.292,1075 12.926,1077 20.271,1078 10.056,1079 2.841,1080 8.864,1081 18.983,1082 -2,1083 11.427,1084 14.44,1085 4.33,1086 22.517,1087 11.171,1088 2.359,1089 8.687,1090 20.746,1091 3.927,1092 12.393,1093 15.655,1095 24.611,1096 12.119,1097 2.173,1098 6.883,1099 22.515,1100 3.873,1101 13.484,1102 17.106,1103 5.048,1104 26.817,1105 13.189,1106 2.047,1107 6.081,1108 24.288,1109 3.011,1110 14.496,1111 18.383,1113 28.951,1114 14.182,1115 1.48,1116 5.761,1117 26.066,1118 2.784,1119 15.568,1120 19.797,1121 5.769,1122 31.139,1123 15.233,1124 1.398,1125 3.767,1126 27.847,1127 2.61,1128 16.603,1129 21.109,1131 33.293,1132 16.248,1133 5368,1134 10290,1135 15.315,1136 26.409,1137 34.862,1138 36.169,1139 36.166,1140 34.708,1141 34.709,1142 44.847,1143 4.988,1144 95.152,1145 33.242,1146 5.13,1147 5.583,1148 5.934,1149 4.944,1150 4.917,1151 6.927,1152 2.873,1153 15.108,1154 4.851,1155 13.724,1156 1.453,1157 1.507,1158 1.507,1159 1.446,1160 1.446,1161 1.869,1162 0.208,1163 3.965,1164 1.385,1165 3.982,1166 4.019,1167 3.935,1168 3.882,1169 8.201,1170 3.888,1171 3.888,1172 3.919,1173 3.845,1174 3.792,1175 7.475,1176 3.801,1177 3.541,1178 3.606,1179 3.398,1180 3.315,1181 6.456,1182 3.322,1183 3.366,1184 3.41,1185 3.293,1186 3.141,1187 6.351,1188 3.164,1189 3.185,1190 3.264,1191 3.084,1192 3.021,1193 4.856,1194 3.003,1195 3.148,1196 3.184,1197 2.975,1198 2.851,1199 4.655,1200 2.901,1201 2.898,1202 2.96,1203 2.793,1204 2.723,1205 4.103,1206 2.73,1207 2.735,1208 2.808,1209 2.57,1210 2.44,1211 3.905,1212 2.454,1213 0.179,1214 0.149,1215 0.253,1216 0.162,1217 0.122,1218 4.288,1219 0.164,1220 3.583,1221 0.06,1222 6.071,1223 0.369,1224 3.895,1225 0.119,1226 2.917,1227 3.927,1228 1.437,1229 8.864,1230 2.851,1231 1.924,1232 1.895,1233 2.028,1234 2.05,1235 1.156,1236 2.043,1237 1.853,1238 1.826,1239 1.946,1240 1.977,1241 1.071,1242 1.971,1243 1.491,1244 1.423,1245 1.754,1246 1.748,1247 0.97,1248 1.751,1249 1.281,1250 1.228,1251 1.543,1252 1.54,1253 0.669,1254 1.524,1255 1.202,1256 1.123,1257 1.495,1258 1.419,1259 0.584,1260 1.461,1261 0.985,1262 0.961,1263 1.164,1264 1.349,1265 0.188,1266 1.286,1267 0.841,1268 0.789,1269 1.07,1270 1.113,1271 0.122,1272 1.093,1273 0.66,1274 0.583,1275 0.972,1276 0.983,1277 0.012,1278 0.997,1279 3.892,1281 5.176,1283 6.645,1285 8.204,1287 9.812,1289 1.779,1291 13.09,1294 17.983,1295 0.489,1296 5.952,1305 25.806,1306 71.091,1307 161.911,1308 195.295,1309 208.905,1310 208.905,1311 208.905,1312 57.047,1313 6.513,1314 94.48,1315 94.48,1316 12,1317 12.01,1318 3.807,1319 3,1320 45.206,1321 80,1322 84,1323 0.273,1324 162.539,1325 285.8,1326 388.355,1327 5055,1328 2.4,1329 16.82,1330 0.731,1331 0.549,1332 15.949,1333 12.636,1334 10.99,1335 0.458,1336 0.295,1337 6.952,1338 10.442,1339 6.796,1340 5.645,1341 10.597,1342 7.084,1343 9.818,1344 0.307,1345 0.156,1346 9.185,1347 5.001,1348 7.402,1349 0.195,1350 0.084,1351 7.082,1352 3.192,1353 5.732,1354 0.125,1355 0.045,1356 5.397,1357 2.088,1358 4.671,1359 0.082,1360 0.023,1361 4.472,1362 1.325,1363 0.428,1364 69.987,1365 0.256,1366 22.686,1367 0.751,1368 112,1369 436.457,1370 127.249,1371 391.605,1372 506.86,1373 362,1374 126,1375 346.712,1376 138.974,1377 344.915,1378 496.57,1379 323,1380 4}
{0 CHEMBL469807,1 1.712,2 10.269,3 2.419,4 5.85,5 97.678,6 7.571,7 0.444,8 3.964,9 4.079,10 3.497,11 3.405,12 5.189,13 3.412,14 4.463,15 4.638,16 3.819,17 3.752,18 5.737,19 3.736,20 4.711,21 4.922,22 3.9,23 3.9,24 5.891,25 3.859,26 4.781,27 4.999,28 3.876,29 3.929,30 5.894,31 3.873,32 4.866,33 5.099,34 3.913,35 3.945,36 6.078,37 3.871,38 4.843,39 5.07,40 3.847,41 3.898,42 6.054,43 3.832,44 4.789,45 5.011,46 3.767,47 3.804,48 6.003,49 3.758,50 4.72,51 4.942,52 3.743,53 3.678,54 6.23,55 3.632,56 0.17,57 0.737,58 9.902,59 4.222,60 26.592,61 5.346,62 0.444,63 1.125,64 18.231,65 6.405,66 62.08,67 8.721,68 0.627,69 1.361,70 24.927,71 7.909,72 65.18,73 11.097,74 0.543,75 1.384,76 26.667,77 8.411,78 71.945,79 12.113,80 0.905,81 1.38,82 30.659,83 9.466,84 104.308,85 13.597,86 0.846,87 1.263,88 30.19,89 9.092,90 125.586,91 12.928,92 0.761,93 1.182,94 28.836,95 8.214,96 119.699,97 11.341,98 1.176,99 1.045,100 28.076,101 7.543,102 181.032,103 10.62,104 51,105 36,106 0.295,107 0.667,108 0.81,109 0.851,110 0.851,111 0.851,112 3.304,113 0.906,114 -2,115 -2.05,116 -2.05,119 37.5,120 1,125 5,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,174 1,175 4,178 1,180 3,183 4,184 2,187 4,190 3,192 6,195 3,199 1,200 2,204 1,207 1,211 2,212 2,215 5,217 3,218 1,220 2,224 3,227 1,228 2,229 2,232 5,237 2,242 2,243 2,245 5,246 2,250 5,253 2,254 4,255 2,258 3,259 3,263 3,268 3,275 1076,276 17.24,277 17.24,278 17.24,279 17.24,280 17.24,281 15.595,282 22.509,283 10.423,284 17.613,285 13.247,286 13.247,287 13.247,288 13.247,289 13.247,290 10.698,291 32.053,292 4.783,293 13.898,294 3.873,295 1.71,296 0.883,297 0.641,298 0.641,299 0.641,300 3.966,303 1,304 1,305 1,306 538,307 3.873,311 190.566,318 1.423,319 42.57,321 1,322 1,323 1,324 0.83,325 1,326 1,327 1,328 1,329 0.98,330 59,331 267,332 4.327,333 3.586,334 6.256,335 3.953,336 2.994,337 3.953,338 1.437,339 9.495,340 2.884,341 4.226,342 3.132,343 6.059,344 3.827,345 2.851,346 3.876,347 0.8,348 8.708,349 2.781,350 3.813,351 3.087,352 5.859,353 3.543,354 2.586,355 3.084,356 0.657,357 8.032,358 2.45,359 3.562,360 2.735,361 5.243,362 3.239,363 2.278,364 2.825,366 6.564,367 2.181,368 3.437,369 2.565,370 4.954,371 3.024,372 2.091,373 2.728,375 5.794,376 1.929,377 2.865,378 1.966,379 4.37,380 2.546,381 1.591,382 1.984,384 4.171,385 1.513,386 2.81,387 1.677,388 4.168,389 2.44,390 1.457,391 1.86,393 3.75,394 1.43,395 2.6,396 1.672,397 3.715,398 2.17,399 1.247,400 1.557,402 2.681,403 1.142,404 2.247,405 1.641,406 3.268,407 2.101,408 1.11,409 1.247,411 2.117,412 1.081,413 1.966,414 1.132,415 3.247,416 1.688,417 0.753,418 0.885,420 1.76,421 0.7,422 1.689,423 0.985,424 2.828,425 1.502,426 0.613,427 0.65,428 0.959,429 0.54,430 1.261,431 0.44,432 2.627,433 0.95,438 0.806,439 0.4,440 2.359,441 0.44,442 -0.445,443 -0.445,445 -0.632,446 -0.379,447 0.795,448 0.103,449 2.211,450 0.409,451 -0.514,452 -0.621,454 -1.242,455 -0.471,456 0.743,457 0.009,458 2.125,459 0.348,460 -0.591,461 -0.73,463 -1.369,464 -0.554,465 11.819,466 0.455,467 0.647,468 0.025,469 31,470 1.192,471 14.5,472 0.558,473 16.5,474 0.635,475 21.585,476 0.83,477 30.181,478 0.629,479 25.604,480 0.985,481 6.607,482 0.254,483 5.832,484 0.224,485 0.179,487 0.33,491 1,493 0.856,494 1.255,495 0.824,496 1.139,497 0.795,498 1.003,499 0.765,500 1.129,501 0.856,502 1.026,503 0.618,504 0.97,505 0.866,506 1.067,507 0.966,508 0.979,509 0.789,510 0.985,511 0.84,512 1.14,513 1.013,514 1.149,515 0.754,516 1.118,517 0.706,518 0.855,519 0.934,520 1.014,521 0.752,522 1.038,523 0.879,524 0.869,525 0.959,526 0.985,527 0.89,528 0.995,529 1.218,530 0.917,531 1.094,532 0.997,533 1.241,534 1.001,535 0.956,536 0.676,537 0.946,538 0.779,539 0.993,540 0.856,541 6,542 0.177,543 2.889,544 1.5,545 1.547,546 1.042,547 0.488,548 0.564,549 0.324,550 0.181,551 6967,552 24848,553 1.931,554 45.8,555 3,556 15,559 4,564 1.695,565 1.773,566 3.321,567 1.773,568 1,569 1,573 82.157,574 1.712,575 3.875,576 4.702,577 4.944,578 4.944,579 4.944,580 2.69,581 3.815,582 4.671,583 3.482,584 1131.76,585 8.12,586 14397.2,588 1,590 1,591 268.078,592 1.526,593 4.606,594 0.222,595 0.01,596 0.08,597 0.039,598 0.043,599 0.029,600 0.014,601 0.018,602 0.011,603 0.008,604 0.476,605 0.17,606 1,607 1.494,608 127.27,609 -0.13,610 -0.118,611 -0.019,612 0.022,613 -0.121,614 0.029,615 -0.011,616 -0.069,617 0.016,618 0.026,619 0.062,620 0.028,621 -0.061,622 0.003,623 -0.049,624 0.023,625 -0.051,626 -0.004,627 -0.105,628 -0.153,629 -0.106,630 -0.154,631 -0.07,632 -0.127,633 0.13,634 0.1,635 0.018,636 -0.04,637 0.036,638 -0.05,639 -0.003,640 -0.033,641 0.001,642 -0.018,643 -0.027,644 -0.01,645 -0.2,646 -0.037,647 -0.107,648 -0.049,649 -0.19,650 -0.043,651 0.184,652 0.109,653 0.082,654 0.137,655 0.189,656 0.085,657 2.763,658 5.188,659 0.462,660 23.645,661 1.02,662 1.142,663 0.771,664 0.595,665 0.633,666 3.332,667 3.611,668 3.807,669 4.007,670 4.22,671 4.22,672 4.248,673 4.277,674 4.277,675 4.29,676 6.206,677 0.616,678 363.43,679 3.332,680 4.844,681 5.659,682 6.515,683 7.356,684 8.215,685 9.065,686 9.927,687 10.781,688 11.643,689 6.3,694 1,695 1,699 1,704 5,705 1,709 6,711 12,720 1,724 1,726 1,730 1,731 48,733 13,734 1,735 27,737 49,738 18,739 11,740 3,741 3,742 1,746 2,747 2,752 3,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 22,782 8,783 4,784 8,790 3,794 1,795 4,796 2,805 1,812 2,838 3,840 2,844 1,846 1,848 26,853 3,854 5,855 1,859 1,869 1,870 8.3,871 2,872 1,873 1,877 14.667,878 8.476,879 6,880 2.643,881 2.274,882 1.337,883 0.882,884 7.331,885 9.013,886 3.555,887 4.094,888 4.585,889 5.083,890 5.6,891 5.693,892 5.874,893 6.018,894 6.3,895 6.614,896 0.857,897 38,898 9.641,900 4.036,901 8.256,902 17.62,904 13.748,905 2.756,906 71.667,909 1,910 211.88,911 86.767,912 37.921,914 153.195,915 14.96,917 86.767,918 365.075,919 52.881,920 8.825,921 6.317,922 132.748,923 103.534,924 24.13,925 17.288,926 211.88,928 211.88,929 124.688,930 168.155,933 226.84,934 67.828,935 85.367,937 17.899,938 71.992,939 34.796,941 226.84,942 191.116,943 86.767,946 211.88,947 30.561,948 59.331,949 18.011,950 184.941,951 211.88,952 206.076,953 86.767,955 0.565,956 0.323,957 0.173,958 0.102,959 14,960 8,961 0.184,962 9,964 1,965 3.653,966 203.22,968 12,969 116.211,974 20.108,975 9.479,976 5.653,978 206.076,979 7.204,980 4.419,984 2.012,986 146.061,987 504.723,988 34,993 11.402,997 -1.096,999 48.963,1000 54.824,1001 0.306,1002 0.694,1003 0.842,1004 0.885,1005 0.885,1006 0.885,1007 4.771,1008 1.247,1009 5.638,1010 3.75,1011 4.29,1012 4.779,1013 1.939,1014 6.405,1015 4.202,1016 5.96,1017 1.11,1018 7.177,1019 2.681,1020 3.892,1021 4.605,1022 0.325,1023 7.226,1024 3.761,1025 7.253,1026 0.753,1027 8.813,1028 2.117,1029 5.844,1030 6.906,1031 2.337,1032 10.267,1033 5.682,1034 8.578,1035 0.613,1036 10.503,1037 1.76,1038 6.217,1039 7.486,1040 0.268,1041 11.855,1042 6.015,1043 9.933,1045 12.226,1046 0.959,1047 7.662,1048 9.313,1049 2.945,1050 14.404,1051 7.433,1052 11.307,1053 -0.445,1054 13.97,1056 8.392,1057 10.245,1058 0.188,1059 16.324,1060 8.126,1061 12.695,1062 -0.514,1063 15.729,1064 -0.632,1065 9.623,1066 11.862,1067 3.625,1068 18.68,1069 9.33,1070 2.994,1071 -0.591,1072 17.5,1073 -1.242,1074 10.527,1075 12.98,1076 0.125,1077 20.757,1078 10.199,1079 2.851,1080 9.495,1081 19.278,1082 -1.369,1083 11.665,1084 14.488,1085 4.331,1086 23.034,1087 11.309,1088 2.586,1089 8.708,1090 21.063,1091 3.953,1092 12.654,1093 15.711,1094 0.082,1095 25.186,1096 12.264,1097 2.278,1098 8.032,1099 22.853,1100 3.876,1101 13.752,1102 17.159,1103 5.048,1104 27.43,1105 13.333,1106 2.091,1107 6.564,1108 24.648,1109 3.084,1110 14.784,1111 18.442,1112 0.054,1113 29.621,1114 14.33,1115 1.591,1116 5.794,1117 26.445,1118 2.825,1119 15.867,1120 19.856,1121 5.769,1122 31.854,1123 15.383,1124 1.457,1125 4.171,1126 28.246,1127 2.728,1128 16.921,1129 21.173,1130 0.035,1131 34.064,1132 16.402,1133 7189,1134 13653,1135 17.107,1136 30.387,1137 39.384,1138 40.554,1139 41.266,1140 39.215,1141 39.143,1142 49.295,1143 5.788,1144 108.061,1145 37.26,1146 5.171,1147 5.586,1148 6.058,1149 5.007,1150 4.994,1151 6.953,1152 2.873,1153 15.825,1154 4.884,1155 16.279,1156 1.459,1157 1.502,1158 1.528,1159 1.452,1160 1.45,1161 1.826,1162 0.214,1163 4.002,1164 1.38,1165 3.991,1166 4.029,1167 3.944,1168 3.885,1169 8.201,1170 3.893,1171 3.896,1172 3.928,1173 3.852,1174 3.799,1175 7.475,1176 3.808,1177 3.631,1178 3.688,1179 3.509,1180 3.426,1181 6.459,1182 3.435,1183 3.368,1184 3.427,1185 3.294,1186 3.141,1187 6.453,1188 3.164,1189 3.366,1190 3.409,1191 3.178,1192 3.126,1193 6.351,1194 3.124,1195 3.183,1196 3.263,1197 3.076,1198 3.021,1199 4.838,1200 3.003,1201 3.129,1202 3.159,1203 2.969,1204 2.828,1205 4.652,1206 2.881,1207 2.884,1208 2.941,1209 2.78,1210 2.715,1211 4.073,1212 2.72,1213 0.16,1214 0.133,1215 0.232,1216 0.146,1217 0.111,1218 4.327,1219 0.146,1220 3.586,1221 0.053,1222 6.256,1223 0.352,1224 3.953,1225 0.107,1226 2.994,1227 3.953,1228 1.437,1229 9.495,1230 2.884,1231 1.926,1232 1.896,1233 2.029,1234 2.057,1235 1.182,1236 2.047,1237 1.862,1238 1.834,1239 1.961,1240 1.988,1241 1.136,1242 1.983,1243 1.58,1244 1.518,1245 1.806,1246 1.808,1247 1.005,1248 1.809,1249 1.327,1250 1.262,1251 1.643,1252 1.612,1253 0.873,1254 1.62,1255 1.28,1256 1.228,1257 1.542,1258 1.54,1259 0.665,1260 1.523,1261 1.202,1262 1.123,1263 1.493,1264 1.419,1265 0.584,1266 1.461,1267 0.954,1268 0.936,1269 1.121,1270 1.321,1271 0.197,1272 1.252,1273 0.833,1274 0.781,1275 1.07,1276 1.096,1277 0.124,1278 1.079,1279 4.007,1281 5.293,1283 6.77,1285 8.339,1287 9.957,1289 1.766,1291 13.188,1294 27.662,1295 0.385,1296 3.113,1300 1.61,1305 29.575,1306 82.157,1307 185.998,1308 225.714,1309 237.323,1310 237.323,1311 237.323,1312 77.807,1313 6.739,1314 105.92,1315 105.92,1316 12,1317 12.193,1318 3.807,1319 3,1320 54.71,1321 95,1322 100,1323 0.279,1324 185.72,1325 329.19,1326 444.917,1327 6604,1328 2.1,1329 19.104,1330 0.735,1331 0.556,1332 18.234,1333 14.445,1334 12.439,1335 0.461,1336 0.302,1337 7.991,1338 11.775,1339 7.82,1340 6.463,1341 12.045,1342 8.152,1343 10.908,1344 0.303,1345 0.16,1346 10.274,1347 5.758,1348 8.361,1349 0.19,1350 0.087,1351 8.041,1352 3.824,1353 6.663,1354 0.123,1355 0.047,1356 6.328,1357 2.542,1358 5.373,1359 0.08,1360 0.024,1361 5.175,1362 1.594,1363 0.434,1364 79.507,1365 0.242,1366 25.031,1367 0.778,1368 126,1369 487.919,1370 143.382,1371 436.184,1372 562.54,1373 404,1374 143,1375 379.354,1376 158.358,1377 376.868,1378 545.31,1379 353,1380 4}
{0 CHEMBL469981,1 1.677,2 10.821,3 2.424,4 5.878,5 103.449,6 7.49,7 0.4,8 4.054,9 4.166,10 3.606,11 3.503,12 5.183,13 3.509,14 4.606,15 4.779,16 3.928,17 3.854,18 5.733,19 3.845,20 4.824,21 5.029,22 3.988,23 3.982,24 5.957,25 3.946,26 4.828,27 5.039,28 3.898,29 3.96,30 5.905,31 3.905,32 4.811,33 5.028,34 3.939,35 3.965,36 6.024,37 3.897,38 4.804,39 5.018,40 3.915,41 3.972,42 5.86,43 3.905,44 4.856,45 5.072,46 3.89,47 3.93,48 5.937,49 3.886,50 4.839,51 5.065,52 3.879,53 3.886,54 5.99,55 3.829,56 0.119,57 0.798,58 10.8,59 4.746,60 14.544,61 6.019,62 0.481,63 1.224,64 21.695,65 7.341,66 40.481,67 9.713,68 0.716,69 1.447,70 28.471,71 8.952,72 64.97,73 12.179,74 0.603,75 1.401,76 28.685,77 9.231,78 66.627,79 12.654,80 0.884,81 1.372,82 28.395,83 9.46,84 96.054,85 13.121,86 0.568,87 1.328,88 27.525,89 9.451,90 61.19,91 13.349,92 0.7,93 1.366,94 30.099,95 8.776,96 79.115,97 12.176,98 1.026,99 1.298,100 30.595,101 8.749,102 88.957,103 12.431,104 21,105 40,106 0.283,107 0.63,108 0.788,109 0.861,110 0.861,111 0.861,112 3.375,113 0.918,114 -3.16,115 -3.15,116 -3.03,119 38.5,120 1,125 7,142 5,143 2,144 2,146 1,147 1,158 1,172 5,174 1,175 6,178 1,180 1,183 4,186 2,187 8,191 1,192 2,195 3,199 2,207 1,211 4,212 4,215 3,217 1,220 2,223 1,224 4,227 1,229 2,232 5,237 3,245 5,249 2,250 5,253 3,255 2,258 3,263 3,266 1,268 3,275 1354,276 18.938,277 18.938,278 18.938,279 18.938,280 18.938,281 17.346,282 25.815,283 11.535,284 19.522,285 14.792,286 14.792,287 14.792,288 14.792,289 14.792,290 12.258,291 32.73,292 5.482,293 15.729,294 4.024,295 1.966,296 1.027,297 0.591,298 0.591,299 0.591,300 4.057,303 1,304 1,305 1,306 634,307 3.391,311 293.595,318 1.503,319 39.17,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 63,331 303,332 4.337,333 3.568,334 6.276,335 3.97,336 3.007,337 3.959,338 1.151,339 9.562,340 2.914,341 4.227,342 3.199,343 6.059,344 3.815,345 2.852,346 3.876,347 1.058,348 8.708,349 2.743,350 3.854,351 3.123,352 5.937,353 3.596,354 2.637,355 3.124,356 0.86,357 8.308,358 2.503,359 3.578,360 2.813,361 5.273,362 3.266,363 2.312,364 2.83,365 0.8,366 6.695,367 2.197,368 3.442,369 2.609,370 4.955,371 3.023,372 2.101,373 2.734,375 5.799,376 1.915,377 2.96,378 2.283,379 4.438,380 2.7,381 1.776,382 2.026,384 4.456,385 1.637,386 2.842,387 1.952,388 4.171,389 2.519,390 1.588,391 1.965,393 3.771,394 1.469,395 2.771,396 1.861,397 4.124,398 2.44,399 1.466,400 1.804,402 3.682,403 1.422,404 2.376,405 1.727,406 3.494,407 2.105,408 1.16,409 1.314,411 2.623,412 1.082,413 2.199,414 1.373,415 3.279,416 1.952,417 1,418 1.165,420 2.136,421 0.946,422 2,423 1.256,424 3.248,425 1.918,426 1,427 1,428 2.126,429 0.907,430 1.963,431 1.127,432 3.247,433 1.641,434 0.748,435 0.881,436 1.755,437 0.659,438 1.292,439 1.001,440 2.65,441 1.038,442 0.119,443 0.132,445 0.18,446 0.107,447 1.261,448 0.505,449 2.562,450 0.932,456 0.828,457 0.026,458 2.386,459 0.461,460 -0.488,461 -0.565,463 -1.242,464 -0.459,465 12.819,466 0.458,467 0.609,468 0.022,469 33,470 1.179,471 14.5,472 0.518,473 18.5,474 0.661,475 23.973,476 0.856,477 32.181,478 0.619,479 26.552,480 0.948,481 6.925,482 0.247,483 6.638,484 0.237,485 0.113,487 0.304,491 1,493 0.787,494 1.319,495 0.775,496 1.246,497 0.66,498 1.049,499 1.034,500 1.05,501 0.923,502 0.981,503 0.694,504 0.929,505 1.053,506 1.003,507 1.019,508 0.96,509 0.907,510 0.967,511 1.059,512 1.073,513 1.047,514 1.066,515 1.014,516 1.055,517 0.643,518 0.868,519 0.924,520 0.997,521 0.797,522 1.026,523 0.671,524 0.975,525 0.871,526 1.095,527 0.659,528 1.049,529 1.209,530 0.982,531 1.12,532 1.007,533 1.134,534 1.02,535 0.931,536 0.731,537 0.969,538 0.81,539 0.819,540 0.886,541 5.5,542 0.182,543 2.889,544 1.438,545 1.418,546 0.972,547 0.387,548 0.474,549 0.381,550 0.191,551 9288,552 29049,553 2.034,554 46.2,555 3,556 19,559 2,564 1.716,565 1.909,566 3.398,567 0.282,568 1,569 1,573 87.19,574 1.677,575 3.735,576 4.674,577 5.109,578 5.109,579 5.109,580 2.833,581 4.039,582 4.776,583 3.553,584 1343.18,585 8.337,586 18132.5,588 1,590 1,591 296.423,592 1.379,593 4.74,594 0.183,595 0.008,596 0.072,597 0.035,598 0.038,599 0.026,600 0.01,601 0.013,602 0.011,603 0.006,604 0.402,605 0.33,606 1,607 1.26,608 140.66,609 -0.07,610 -0.188,611 0.036,612 -0.095,613 -0.063,614 -0.017,615 -0.11,616 -0.035,617 -0.005,618 0.036,619 -0.012,620 0.04,621 -0.086,622 0.026,623 -0.065,624 0.023,625 -0.05,626 -0.005,627 -0.152,628 -0.126,629 -0.1,630 -0.073,631 -0.119,632 -0.073,633 0.215,634 0.148,635 0.019,636 0.002,637 0.117,638 -0.037,639 0.054,640 -0.112,641 0.041,642 -0.084,643 0.025,644 -0.036,645 -0.209,646 -0.046,647 -0.145,648 -0.059,649 -0.171,650 -0.072,651 0.085,652 0.12,653 0.024,654 0.121,655 0.063,656 0.064,657 1.986,658 5.381,659 0.643,660 27.383,661 1.016,662 1.139,663 1.928,664 3.716,665 0.637,666 3.434,667 3.714,668 3.932,669 4.143,670 4.382,671 4.394,672 4.489,673 4.605,674 4.691,675 4.745,676 6.541,677 0.617,678 389.47,679 3.434,680 4.949,681 5.771,682 6.624,683 7.468,684 8.327,685 9.18,686 10.043,687 10.901,688 11.766,689 5.8,695 1,696 1,699 1,704 5,705 1,709 6,711 12,718 1,726 1,729 1,730 1,731 52,733 13,734 1,735 30,737 54,738 20,739 11,740 3,741 3,742 1,746 3,747 3,752 2,761 12,762 8,766 1,771 1,775 1,778 1,779 1,781 24,782 8,783 2,784 8,790 3,794 1,795 4,796 1,805 1,812 3,838 1,839 1,840 3,844 1,846 1,848 28,853 1,854 7,855 1,856 2,859 1,869 1,870 7.7,871 1,873 1,874 1,875 1,877 14.667,878 9.41,879 6.333,880 3.034,881 2.233,882 1.312,883 0.932,884 7.203,885 9.382,886 3.638,887 4.159,888 4.654,889 5.143,890 5.659,891 5.776,892 6,893 6.22,894 6.523,895 6.835,896 1,897 41,898 10.405,900 4.365,901 7.988,902 19.506,904 15.488,905 2.488,906 69.667,909 1,910 258.964,911 106.826,912 37.921,914 89.828,915 14.96,917 106.826,918 348.792,919 52.881,920 8.825,921 38.105,922 90.065,923 57.635,924 37.617,925 17.288,926 258.964,928 258.964,929 144.746,930 104.788,933 273.924,934 36.145,935 53.683,937 49.687,938 78.274,939 16.786,941 273.924,942 127.749,943 106.826,946 258.964,947 50.619,948 59.331,949 18.011,950 121.574,951 258.964,952 142.709,953 106.826,955 0.567,956 0.323,957 0.169,958 0.098,959 17,960 8,961 0.13,962 7,964 1,965 3.953,966 232.108,968 18,969 130.606,974 20.525,975 9.826,976 5.649,978 142.709,979 7.708,980 4.624,984 2.632,986 60.694,987 508.499,988 37,993 12.381,997 -0.287,999 52.847,1000 59.239,1001 0.294,1002 0.655,1003 0.82,1004 0.896,1005 0.896,1006 0.896,1007 4.86,1008 1.466,1009 5.733,1010 3.771,1011 4.394,1012 4.844,1013 2.12,1014 6.488,1015 4.286,1016 6.027,1017 1.16,1018 7.258,1019 3.682,1020 3.892,1021 4.605,1022 0.325,1023 7.261,1024 3.764,1025 7.31,1026 1,1027 8.881,1028 2.623,1029 5.932,1030 6.942,1031 2.148,1032 10.331,1033 5.739,1034 8.626,1035 1,1036 10.562,1037 2.136,1038 6.236,1039 7.497,1040 0.268,1041 11.909,1042 6.031,1043 9.974,1044 0.748,1045 12.279,1046 2.126,1047 7.736,1048 9.334,1049 2.255,1050 14.473,1051 7.475,1052 11.344,1053 0.119,1054 14.02,1055 1.755,1056 8.426,1057 10.26,1058 0.188,1059 16.394,1060 8.151,1061 12.731,1063 15.779,1064 0.18,1065 9.689,1066 11.878,1067 2.404,1068 18.76,1069 9.367,1070 3.007,1071 -0.488,1072 17.549,1074 10.572,1075 12.996,1076 0.125,1077 20.84,1078 10.231,1079 2.852,1080 9.562,1081 19.329,1082 -1.242,1083 11.728,1084 14.503,1085 2.582,1086 23.124,1087 11.346,1088 2.637,1089 8.708,1090 21.117,1091 3.959,1092 12.708,1093 15.727,1094 0.082,1095 25.281,1096 12.302,1097 2.312,1098 8.308,1099 22.909,1100 3.876,1101 13.816,1102 17.174,1103 2.781,1104 27.531,1105 13.375,1106 2.101,1107 6.695,1108 24.706,1109 3.124,1110 14.845,1111 18.458,1112 0.054,1113 29.726,1114 14.377,1115 1.776,1116 5.799,1117 26.507,1118 2.83,1119 15.934,1120 19.871,1121 2.996,1122 31.964,1123 15.433,1124 1.588,1125 4.456,1126 28.31,1127 2.734,1128 16.987,1129 21.19,1130 0.035,1131 34.179,1132 16.457,1133 9164,1134 16303,1135 19.879,1136 33.148,1137 43.669,1138 45.992,1139 45.002,1140 43.525,1141 43.533,1142 53.617,1143 7.738,1144 119.602,1145 41.002,1146 5.337,1147 5.568,1148 6.139,1149 5.074,1150 5.007,1151 6.959,1152 2.302,1153 15.964,1154 4.914,1155 14.022,1156 1.456,1157 1.533,1158 1.5,1159 1.451,1160 1.451,1161 1.787,1162 0.258,1163 3.987,1164 1.367,1165 3.993,1166 4.027,1167 3.948,1168 3.877,1169 8.201,1170 3.888,1171 3.9,1172 3.928,1173 3.854,1174 3.805,1175 7.429,1176 3.814,1177 3.709,1178 3.759,1179 3.598,1180 3.497,1181 6.456,1182 3.512,1183 3.574,1184 3.638,1185 3.449,1186 3.339,1187 4.896,1188 3.354,1189 3.281,1190 3.312,1191 3.178,1192 3.07,1193 4.727,1194 3.086,1195 3.18,1196 3.262,1197 3.043,1198 3.02,1199 4.586,1200 3.001,1201 3.111,1202 3.206,1203 2.971,1204 2.941,1205 4.193,1206 2.91,1207 3.103,1208 3.142,1209 2.866,1210 2.826,1211 4.059,1212 2.867,1213 0.145,1214 0.119,1215 0.209,1216 0.132,1217 0.1,1218 4.337,1219 0.132,1220 3.568,1221 0.038,1222 6.276,1223 0.319,1224 3.97,1225 0.097,1226 3.007,1227 3.959,1228 1.151,1229 9.562,1230 2.914,1231 1.913,1232 1.889,1233 2.013,1234 2.061,1235 1.219,1236 2.045,1237 1.87,1238 1.842,1239 1.978,1240 1.989,1241 1.115,1242 1.988,1243 1.648,1244 1.594,1245 1.856,1246 1.882,1247 1.043,1248 1.874,1249 1.51,1250 1.443,1251 1.764,1252 1.768,1253 0.974,1254 1.768,1255 1.205,1256 1.166,1257 1.536,1258 1.458,1259 0.825,1260 1.465,1261 1.2,1262 1.123,1263 1.513,1264 1.419,1265 0.62,1266 1.441,1267 1.153,1268 1.064,1269 1.434,1270 1.376,1271 0.584,1272 1.429,1273 0.969,1274 0.929,1275 1.176,1276 1.299,1277 0.27,1278 1.261,1279 4.111,1281 5.398,1283 6.88,1285 8.452,1287 10.071,1289 1.768,1291 13.267,1294 8.935,1295 2.761,1296 2.653,1297 11.171,1300 2.055,1305 32.102,1306 87.19,1307 194.207,1308 243.039,1309 265.668,1310 265.668,1311 265.668,1312 63.026,1313 7.149,1314 83.92,1315 83.92,1316 18,1317 12.315,1318 3.807,1319 3,1320 49.376,1321 107,1322 116,1323 0.22,1324 197.511,1325 351.43,1326 473.688,1327 11391,1328 1.9,1329 19.933,1330 0.712,1331 0.564,1332 19.062,1333 15.781,1334 13.563,1335 0.452,1336 0.306,1337 8.985,1338 12.787,1339 8.809,1340 7.234,1341 13.169,1342 9.183,1343 11.844,1344 0.296,1345 0.162,1346 11.21,1347 6.483,1348 9.567,1349 0.191,1350 0.087,1351 9.247,1352 4.372,1353 7.593,1354 0.122,1355 0.047,1356 7.258,1357 2.929,1358 6.243,1359 0.079,1360 0.024,1361 6.044,1362 1.92,1363 0.342,1364 86.873,1365 0.224,1366 26.737,1367 0.611,1368 140,1369 525.09,1370 160.151,1371 462.687,1372 608.16,1373 434,1374 160,1375 417.9,1376 179.427,1377 412.251,1378 601.77,1379 387,1380 4.301}
{0 CHEMBL470638,1 1.663,2 10.16,3 3.593,4 12.906,5 92.959,6 8.229,7 0.667,8 3.82,9 3.925,10 3.454,11 3.392,12 5.081,13 3.391,14 4.281,15 4.427,16 3.796,17 3.739,18 5.623,19 3.725,20 4.51,21 4.687,22 3.837,23 3.845,24 5.756,25 3.809,26 4.572,27 4.781,28 3.728,29 3.792,30 5.741,31 3.736,32 4.539,33 4.758,34 3.724,35 3.761,36 5.738,37 3.697,38 4.503,39 4.714,40 3.69,41 3.704,42 5.739,43 3.655,44 4.456,45 4.665,46 3.604,47 3.627,48 5.766,49 3.588,50 4.293,51 4.495,52 3.516,53 3.547,54 5.569,55 3.494,56 0.086,57 0.648,58 6.711,59 3.568,60 11.797,61 4.066,62 0.241,63 1.013,64 12.179,65 5.606,66 37.868,67 6.794,68 0.304,69 1.255,70 16.879,71 7.087,72 37.849,73 8.496,74 0.41,75 1.236,76 20.042,77 7.403,78 55.793,79 9.169,80 0.452,81 1.199,82 20.106,83 7.687,84 64.318,85 10.017,86 0.432,87 1.084,88 19.417,89 7.11,90 57.443,91 9.063,92 0.556,93 1.045,94 18.96,95 6.344,96 75.625,97 7.5,98 0.291,99 0.899,100 15.277,101 6.19,102 39.539,103 7.8,104 18,105 37,106 0.29,107 0.655,108 0.814,109 0.907,110 0.907,111 0.907,112 3.267,113 0.853,114 -2.72,115 -2.74,116 -2.66,119 46.3,120 1,125 1,142 7,143 3,144 2,145 2,146 2,158 1,167 1,170 1,172 7,173 1,175 6,178 1,180 3,183 6,184 2,187 5,190 1,192 6,195 5,198 1,199 2,200 1,204 1,207 4,208 1,211 1,212 4,215 1,217 3,218 1,220 4,221 1,224 5,225 1,227 1,228 1,229 2,232 6,233 1,236 1,237 1,240 2,242 2,245 7,246 2,250 2,255 2,258 8,259 3,263 5,268 3,271 5,275 947,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 14.297,282 14.211,283 9.903,284 16.897,285 13.333,286 13.333,287 13.333,288 13.333,289 13.333,290 9.814,291 18.358,292 4.737,293 13.746,294 3.694,295 1.605,296 0.693,297 0.165,298 0.165,299 0.165,300 3.947,303 1,304 1,305 1,306 538,307 2.915,311 254.247,318 1.366,319 32.252,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 55,331 254,332 4.369,333 3.584,334 6.258,335 3.978,336 2.996,337 4.043,338 1.437,339 9.499,340 2.939,341 4.228,342 3.104,343 6.059,344 3.829,345 2.852,346 3.878,347 0.657,348 8.708,349 2.784,350 3.967,351 2.936,352 5.86,353 3.593,354 2.599,355 3.474,357 8.039,358 2.576,359 3.616,360 2.687,361 5.244,362 3.247,363 2.282,364 2.941,366 6.567,367 2.196,368 3.451,369 2.518,370 4.954,371 3.027,372 2.094,373 2.769,375 5.794,376 1.932,377 3.204,378 1.946,379 4.411,380 2.726,381 1.762,382 2.492,384 4.376,385 1.695,386 2.849,387 1.681,388 4.169,389 2.458,390 1.472,391 1.98,393 3.759,394 1.449,395 2.711,396 1.648,397 3.728,398 2.199,399 1.206,400 1.735,402 2.832,403 1.184,404 2.518,405 1.092,406 3.485,407 1.979,408 1,409 1.5,411 2.492,412 0.971,413 2.5,414 1,415 3.267,416 1.953,417 1,418 1.483,420 2.136,421 0.949,422 1.964,423 0.976,424 3.247,425 1.686,426 0.747,427 0.882,428 1.756,429 0.697,430 1.262,431 0.44,432 2.649,433 0.95,438 0.922,439 0.4,440 2.528,441 0.484,442 -0.487,443 -0.621,445 -1.242,446 -0.468,447 0.804,448 0.009,449 2.359,450 0.435,451 -0.514,452 -0.658,454 -1.257,455 -0.474,456 0.773,457 -0.381,458 2.171,459 0.332,460 -0.624,461 -0.804,463 -1.759,464 -0.593,465 11.652,466 0.466,467 0.647,468 0.026,469 35.75,470 1.43,471 20,472 0.8,473 15.75,474 0.63,475 16.67,476 0.667,477 26.148,478 0.638,479 26.669,480 1.067,481 7.412,482 0.296,483 4.613,484 0.185,485 0.125,487 0.343,491 1,493 0.703,494 1.028,495 0.707,496 0.943,497 0.655,498 0.852,499 0.605,500 1.068,501 0.753,502 0.98,503 0.477,504 0.913,505 0.915,506 1.134,507 1.026,508 1.116,509 0.832,510 1.096,511 0.982,512 0.966,513 1.094,514 1.019,515 0.909,516 1.06,517 0.725,518 0.931,519 0.901,520 1.02,521 0.779,522 1.011,523 0.87,524 0.892,525 0.925,526 0.953,527 0.888,528 0.954,529 1.26,530 0.709,531 1.158,532 0.786,533 1.271,534 0.899,535 0.79,536 0.82,537 0.859,538 1.025,539 0.821,540 0.982,541 5.5,542 0.136,543 2.667,544 1.313,545 1.338,546 0.944,547 0.327,548 0.431,549 0.348,550 0.146,551 6929,552 22937,553 2.038,554 39,555 3,556 9,558 2,559 2,564 1.683,565 1.899,566 3.305,567 0.273,569 1,571 1,573 68.194,574 1.663,575 3.753,576 4.665,577 5.193,578 5.193,579 5.193,580 2.663,581 4.103,582 4.617,583 3.448,584 1034.37,585 7.997,586 12683,587 1,588 1,590 1,591 219.66,592 1.44,593 4.569,594 0.204,595 0.009,596 0.072,597 0.035,598 0.042,599 0.03,600 0.011,601 0.015,602 0.013,603 0.007,604 0.438,605 0.33,606 1,607 0.795,608 120.605,609 -0.076,610 -0.052,611 0.005,612 0.033,613 -0.09,614 0.039,615 0.072,616 -0.095,617 0.046,618 -0.017,619 0.141,620 0.006,621 -0.096,622 -0.108,623 -0.149,624 -0.158,625 -0.06,626 -0.163,627 -0.126,628 -0.046,629 -0.14,630 -0.076,631 -0.106,632 -0.101,633 0.114,634 0.014,635 0.077,636 -0.038,637 0.038,638 -0.004,639 0.005,640 -0.053,641 0.056,642 0.005,643 -0.021,644 0.032,645 -0.14,646 0.222,647 -0.148,648 0.146,649 -0.157,650 0.036,651 0.055,652 0.024,653 0.102,654 -0.027,655 0.062,656 0.032,657 2.688,658 5.182,659 0.72,660 21.085,661 1.016,662 1.126,663 1.493,664 2.229,665 0.688,666 3.332,667 3.638,668 3.85,669 4.06,670 4.304,671 4.29,672 4.357,673 4.431,674 4.5,675 4.533,676 6.04,677 0.672,678 337.38,679 3.332,680 4.86,681 5.687,682 6.547,683 7.393,684 8.256,685 9.109,686 9.973,687 10.83,688 11.695,689 7.3,694 1,699 2,704 9,705 2,709 7,711 18,720 1,724 1,730 1,731 41,733 19,734 1,735 27,737 43,738 19,739 16,740 3,741 3,742 1,746 3,747 3,752 1,761 17,762 2,766 1,771 1,775 1,777 1,778 1,779 1,781 16,782 6,783 2,784 6,790 3,794 1,795 2,805 2,812 3,838 1,840 3,844 1,846 1,848 25,853 1,854 1,855 1,869 1,870 4.9,872 1,873 1,877 13.167,878 7.66,879 5.5,880 2.277,881 3.163,882 1.454,883 0.969,884 4.942,885 10.126,886 3.638,887 4.241,888 4.785,889 5.325,890 5.888,891 6.016,892 6.355,893 6.659,894 7.027,895 7.326,896 0.857,897 37,898 9.221,900 3.927,901 8.073,902 17.011,904 13.557,905 2.573,906 64.333,909 1,910 164.795,911 123.217,912 51.582,914 67.828,915 14.96,917 123.217,918 232.624,919 66.542,920 8.825,921 2.106,922 66.334,923 143.862,924 45.043,925 14.96,926 141.253,928 164.795,929 174.799,930 82.788,933 179.756,934 67.828,937 34.539,938 88.678,939 51.582,941 179.756,942 119.41,943 123.217,946 164.795,947 29.964,948 93.254,949 18.011,950 116.359,951 164.795,952 134.37,953 123.217,955 0.581,956 0.328,957 0.169,958 0.098,959 17,960 8,961 0.116,962 5,964 1,965 3.687,966 200.46,968 18,969 116.096,974 16.906,975 7.308,976 4.128,978 134.37,979 14.363,980 8.549,984 3.246,986 60.694,987 422.383,988 37,993 11.397,997 -1.022,999 41.658,1000 46.16,1001 0.31,1002 0.7,1003 0.871,1004 0.969,1005 0.969,1006 0.969,1007 4.848,1008 1.206,1009 5.666,1010 3.759,1011 4.317,1012 4.927,1013 1.79,1014 6.431,1015 4.26,1016 6.061,1017 1,1018 7.201,1019 2.832,1020 3.892,1021 4.677,1023 7.226,1024 3.81,1025 7.359,1026 1,1027 8.832,1028 2.492,1029 5.872,1030 7.102,1031 2.292,1032 10.277,1033 5.77,1034 8.689,1035 0.747,1036 10.517,1037 2.136,1038 6.217,1039 7.607,1041 11.855,1042 6.098,1043 10.046,1045 12.236,1046 1.756,1047 7.688,1048 9.528,1049 2.931,1050 14.409,1051 7.549,1052 11.423,1053 -0.487,1054 13.977,1056 8.395,1057 10.406,1059 16.326,1060 8.242,1061 12.814,1062 -0.514,1063 15.735,1064 -1.242,1065 9.644,1066 12.085,1067 3.621,1068 18.684,1069 9.472,1070 2.996,1071 -0.624,1072 17.504,1073 -1.257,1074 10.534,1075 13.172,1077 20.76,1078 10.346,1079 2.852,1080 9.499,1081 19.282,1082 -1.759,1083 11.683,1084 14.72,1085 4.33,1086 23.037,1087 11.475,1088 2.599,1089 8.708,1090 21.066,1091 4.043,1092 12.664,1093 15.928,1095 25.19,1096 12.44,1097 2.282,1098 8.039,1099 22.856,1100 3.878,1101 13.769,1102 17.401,1103 5.048,1104 27.435,1105 13.525,1106 2.094,1107 6.567,1108 24.65,1109 3.474,1110 14.796,1111 18.681,1113 29.625,1114 14.534,1115 1.762,1116 5.794,1117 26.448,1118 2.941,1119 15.883,1120 20.113,1121 5.769,1122 31.858,1123 15.601,1124 1.472,1125 4.376,1126 28.248,1127 2.769,1128 16.935,1129 21.435,1131 34.069,1132 16.634,1133 6786,1134 12456,1135 17.8,1136 28.193,1137 40.607,1138 41.352,1139 41.065,1140 40.081,1141 40.02,1142 54.352,1143 4.188,1144 111.913,1145 38.744,1146 5.205,1147 5.584,1148 6.059,1149 5.026,1150 4.996,1151 7.043,1152 2.873,1153 15.832,1154 4.939,1155 12.81,1156 1.504,1157 1.532,1158 1.521,1159 1.484,1160 1.482,1161 2.013,1162 0.155,1163 4.145,1164 1.435,1165 4.013,1166 4.046,1167 3.971,1168 3.918,1169 8.201,1170 3.927,1171 3.916,1172 3.946,1173 3.869,1174 3.839,1175 7.475,1176 3.841,1177 3.746,1178 3.783,1179 3.689,1180 3.637,1181 6.351,1182 3.643,1183 3.366,1184 3.41,1185 3.295,1186 3.144,1187 4.96,1188 3.165,1189 3.185,1190 3.263,1191 3.098,1192 3.021,1193 4.744,1194 3.004,1195 3.145,1196 3.172,1197 2.98,1198 2.926,1199 4.642,1200 2.954,1201 2.898,1202 2.949,1203 2.805,1204 2.741,1205 3.992,1206 2.755,1207 2.772,1208 2.85,1209 2.629,1210 2.571,1211 3.868,1212 2.58,1213 0.162,1214 0.133,1215 0.232,1216 0.147,1217 0.111,1218 4.369,1219 0.15,1220 3.584,1221 0.053,1222 6.258,1223 0.352,1224 3.978,1225 0.109,1226 2.996,1227 4.043,1228 1.437,1229 9.499,1230 2.939,1231 1.951,1232 1.923,1233 2.039,1234 2.066,1235 1.163,1236 2.059,1237 1.897,1238 1.871,1239 1.996,1240 1.998,1241 1.094,1242 1.999,1243 1.715,1244 1.682,1245 1.835,1246 1.851,1247 0.908,1248 1.847,1249 1.283,1250 1.229,1251 1.543,1252 1.54,1253 0.653,1254 1.523,1255 1.202,1256 1.123,1257 1.494,1258 1.419,1259 0.584,1260 1.461,1261 1.022,1262 1.003,1263 1.175,1264 1.315,1265 0.242,1266 1.253,1267 0.853,1268 0.809,1269 1.07,1270 1.054,1271 0.123,1272 1.068,1273 0.741,1274 0.674,1275 1.008,1276 0.987,1278 1.007,1279 4.007,1281 5.313,1283 6.81,1285 8.392,1287 10.017,1289 1.799,1291 13.182,1294 9.335,1295 0.32,1296 3.164,1305 27.565,1306 68.194,1307 153.869,1308 191.253,1309 212.905,1310 212.905,1311 212.905,1312 49.407,1313 6.963,1314 75.11,1315 75.11,1316 18,1317 12.243,1318 4.322,1319 3.459,1320 41.645,1321 89,1322 93,1323 0.225,1324 171.144,1325 297.73,1326 409.352,1327 9152,1328 2.4,1329 17.811,1330 0.712,1331 0.541,1332 16.941,1333 13.531,1334 12.025,1335 0.445,1336 0.284,1337 7.567,1338 11.561,1339 7.373,1340 6.137,1341 11.631,1342 7.674,1343 10.968,1344 0.296,1345 0.151,1346 10.335,1347 5.592,1348 8.692,1349 0.189,1350 0.081,1351 8.372,1352 3.731,1353 6.911,1354 0.121,1355 0.043,1356 6.576,1357 2.475,1358 5.726,1359 0.078,1360 0.022,1361 5.527,1362 1.626,1363 0.35,1364 75.532,1365 0.237,1366 24.24,1367 0.623,1368 128,1369 457.619,1370 141.421,1371 420.824,1372 557.27,1373 390,1374 147,1375 395.62,1376 158.922,1377 398.165,1378 573.75,1379 373,1380 4}
{0 CHEMBL470639,1 1.643,2 10.692,3 4.476,4 20.032,5 96.81,6 8.195,7 0.643,8 3.868,9 3.965,10 3.489,11 3.437,12 5.145,13 3.437,14 4.321,15 4.454,16 3.849,17 3.793,18 5.686,19 3.779,20 4.579,21 4.748,22 3.894,23 3.905,24 5.857,25 3.871,26 4.642,27 4.848,28 3.762,29 3.854,30 5.81,31 3.793,32 4.596,33 4.819,34 3.753,35 3.815,36 5.776,37 3.744,38 4.547,39 4.752,40 3.75,41 3.764,42 5.815,43 3.714,44 4.512,45 4.705,46 3.666,47 3.702,48 5.802,49 3.668,50 4.417,51 4.618,52 3.63,53 3.625,54 5.707,55 3.584,56 0.118,57 0.643,58 7.266,59 3.906,60 17.416,61 4.307,62 0.24,63 1.015,64 12.56,65 6.194,66 36.944,67 7.37,68 0.367,69 1.295,70 18.333,71 7.816,72 46.111,73 9.144,74 0.461,75 1.289,76 21.781,77 8.152,78 66.333,79 10.028,80 0.489,81 1.25,82 21.7,83 8.365,84 70.889,85 10.968,86 0.489,87 1.112,88 20.265,89 7.678,90 63.611,91 9.74,92 0.489,93 1.085,94 19.519,95 7.022,96 71.667,97 8.06,98 0.379,99 0.968,100 17.988,101 7.067,102 59.055,103 8.738,104 27,105 39,106 0.284,107 0.638,108 0.773,109 0.879,110 0.879,111 0.879,112 3.304,113 0.853,114 -2.95,115 -2.95,116 -2.85,119 46.5,120 1,125 1,142 9,143 3,144 3,146 2,158 1,167 1,170 1,172 9,173 1,175 4,178 1,180 5,183 9,184 2,187 5,190 1,192 8,195 8,199 2,200 1,204 2,207 6,208 1,211 1,212 3,215 1,217 3,218 1,220 6,221 2,224 5,227 2,228 1,229 5,232 7,233 2,237 2,242 5,245 7,246 2,250 2,255 3,256 1,258 10,259 3,263 3,266 1,267 2,268 3,271 10,275 1060,276 17.102,277 17.102,278 17.102,279 17.102,280 17.102,281 14.719,282 16.368,283 9.99,284 17.32,285 13.799,286 13.799,287 13.799,288 13.799,289 13.799,290 10.219,291 19.521,292 4.774,293 14.2,294 3.783,295 1.736,296 0.96,297 0.343,298 0.343,299 0.343,300 3.983,304 1,305 1,306 586,307 3,311 267.364,318 1.509,319 37.06,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57.5,331 278,332 4.375,333 3.584,334 6.26,335 3.984,336 3.002,337 4.054,338 1.437,339 9.506,340 2.947,341 4.229,342 3.104,343 6.059,344 3.829,345 2.852,346 3.878,347 0.657,348 8.708,349 2.784,350 4.02,351 2.952,352 5.864,353 3.632,354 2.638,355 3.58,357 8.059,358 2.615,359 3.684,360 2.722,361 5.252,362 3.288,363 2.322,364 3.041,366 6.59,367 2.23,368 3.531,369 2.604,370 5.022,371 3.165,372 2.209,373 2.842,375 6.025,376 2.108,377 3.434,378 2.409,379 4.952,380 3.018,381 2.079,382 2.745,384 5.787,385 1.926,386 2.877,387 1.877,388 4.281,389 2.474,390 1.491,391 2.006,393 3.923,394 1.462,395 2.823,396 1.664,397 4.164,398 2.359,399 1.374,400 1.947,402 3.724,403 1.346,404 2.599,405 1.344,406 3.71,407 2.059,408 1.071,409 1.555,411 2.66,412 1.042,413 2.5,414 1,415 3.414,416 2,417 1,418 1.5,420 2.275,421 1,422 1.965,423 0.992,424 3.268,425 1.686,426 0.748,427 0.883,428 1.758,429 0.698,430 1.263,431 0.441,432 2.687,433 0.951,438 1.175,439 0.401,440 2.601,441 0.794,442 -0.15,443 -0.189,445 -0.341,446 -0.14,447 0.804,448 0.124,449 2.359,450 0.439,451 -0.514,452 -0.621,454 -1.242,455 -0.472,456 0.783,457 0.009,458 2.177,459 0.332,460 -0.621,461 -0.795,463 -1.742,464 -0.59,465 12.086,466 0.465,467 0.753,468 0.029,469 36.5,470 1.404,471 20.5,472 0.788,473 16,474 0.615,475 17.928,476 0.69,477 27.514,478 0.64,479 28.338,480 1.09,481 7.572,482 0.291,483 4.847,484 0.186,485 0.148,487 0.372,491 1,493 0.766,494 0.943,495 0.737,496 0.89,497 0.737,498 0.824,499 0.565,500 1.086,501 0.721,502 1.026,503 0.47,504 0.939,505 0.934,506 1.124,507 1.045,508 1.11,509 0.853,510 1.101,511 0.958,512 1.005,513 1.11,514 1.03,515 0.888,516 1.081,517 0.642,518 0.902,519 0.869,520 0.986,521 0.692,522 0.988,523 0.765,524 0.851,525 0.884,526 0.933,527 0.795,528 0.941,529 1.266,530 0.859,531 1.163,532 0.923,533 1.24,534 0.978,535 0.871,536 0.794,537 0.828,538 0.97,539 0.923,540 0.913,541 6.5,542 0.161,543 3.111,544 1.375,545 1.529,546 1.056,547 0.405,548 0.533,549 0.443,550 0.157,551 7686,552 26106,553 2.014,554 39.5,555 3,556 11,559 3,564 1.693,565 1.857,566 3.364,567 0.936,569 1,573 70.649,574 1.643,575 3.69,576 4.466,577 5.083,578 5.083,579 5.083,580 2.83,581 3.998,582 4.672,583 3.513,584 1141.89,585 8.108,586 14416.5,588 1,590 1,591 233.329,592 1.502,593 4.615,594 0.232,595 0.01,596 0.08,597 0.035,598 0.046,599 0.032,600 0.012,601 0.018,602 0.015,603 0.006,604 0.487,605 0.33,606 1,607 0.819,608 127.355,609 -0.103,610 0.026,611 -0.017,612 0.101,613 -0.122,614 0.074,615 0.083,616 -0.114,617 0.064,618 -0.044,619 0.141,620 -0.006,621 -0.11,622 -0.096,623 -0.168,624 -0.15,625 -0.072,626 -0.168,627 -0.141,628 -0.08,629 -0.161,630 -0.086,631 -0.117,632 -0.115,633 0.114,634 0.055,635 0.104,636 -0.007,637 0.044,638 0.031,639 0.056,640 0.006,641 0.08,642 0.026,643 0.019,644 0.047,645 -0.23,646 0.076,647 -0.185,648 0.02,649 -0.201,650 -0.038,651 0.024,652 0.038,653 0.155,654 0.018,655 0.01,656 0.098,657 2.716,658 5.198,659 0.692,660 23.29,661 1.018,662 1.123,663 1.718,664 2.952,665 0.684,666 3.367,667 3.689,668 3.892,669 4.094,670 4.357,671 4.369,672 4.407,673 4.522,674 4.605,675 4.635,676 6.265,677 0.669,678 352.39,679 3.367,680 4.905,681 5.733,682 6.597,683 7.445,684 8.31,685 9.165,686 10.031,687 10.889,688 11.756,689 4.7,694 1,699 1,704 9,705 1,709 8,711 18,720 1,724 1,728 1,730 1,731 43,733 19,734 2,735 28,737 45,738 20,739 17,740 5,741 7,742 1,746 3,747 3,752 1,761 18,762 2,766 1,771 1,775 1,778 1,779 1,781 17,782 6,783 3,784 6,790 2,794 1,795 3,805 1,812 3,838 1,840 3,844 1,846 1,848 26,853 2,854 1,855 1,869 1,870 7,872 2,873 1,877 14,878 7.91,879 5.667,880 2.361,881 3.188,882 1.451,883 0.948,884 5.194,885 10.253,886 3.664,887 4.284,888 4.822,889 5.357,890 5.934,891 6.099,892 6.407,893 6.752,894 7.135,895 7.442,896 1,897 39,898 9.603,900 4.132,901 8.154,902 17.617,904 14.153,905 2.654,906 69,909 1,910 164.795,911 124.075,912 34.796,914 110.512,915 14.96,917 124.075,918 275.307,919 49.756,920 8.825,921 2.106,922 85.286,923 146.218,924 26.948,925 14.96,926 164.795,928 164.795,929 158.871,930 125.472,933 179.756,934 110.512,937 16.444,938 107.631,939 34.796,941 179.756,942 145.308,943 124.075,946 164.795,947 29.964,948 94.111,949 18.011,950 142.257,951 164.795,952 160.268,953 124.075,955 0.588,956 0.328,957 0.163,958 0.097,959 18,960 9,961 0.111,962 5,964 1,965 3.748,966 211.918,968 18,969 118.211,974 17.899,975 7.544,976 4.396,978 160.268,979 13.777,980 4.496,984 3.166,986 103.377,987 449.138,988 38,993 11.427,997 -1.049,999 43.767,1000 48.286,1001 0.303,1002 0.68,1003 0.823,1004 0.937,1005 0.937,1006 0.937,1007 4.887,1008 1.374,1009 5.727,1010 3.923,1011 4.369,1012 4.97,1013 1.79,1014 6.497,1015 4.314,1016 6.111,1017 1.071,1018 7.269,1019 3.724,1020 4.007,1021 4.796,1023 7.302,1024 3.911,1025 7.418,1026 1,1027 8.903,1028 2.66,1029 5.938,1030 7.16,1031 2.292,1032 10.331,1033 5.839,1034 8.754,1035 0.748,1036 10.587,1037 2.275,1038 6.312,1039 7.71,1041 11.896,1042 6.18,1043 10.115,1045 12.302,1046 1.758,1047 7.753,1048 9.591,1049 2.931,1050 14.444,1051 7.617,1052 11.494,1053 -0.15,1054 14.038,1056 8.471,1057 10.496,1059 16.349,1060 8.309,1061 12.886,1062 -0.514,1063 15.789,1064 -0.341,1065 9.705,1066 12.151,1067 3.621,1068 18.706,1069 9.535,1070 3.002,1071 -0.621,1072 17.552,1073 -1.242,1074 10.596,1075 13.252,1077 20.776,1078 10.405,1079 2.852,1080 9.506,1081 19.324,1082 -1.742,1083 11.737,1084 14.785,1085 4.33,1086 23.053,1087 11.534,1088 2.638,1089 8.708,1090 21.103,1091 4.054,1092 12.717,1093 16.001,1095 25.202,1096 12.494,1097 2.322,1098 8.059,1099 22.888,1100 3.878,1101 13.817,1102 17.466,1103 5.048,1104 27.447,1105 13.58,1106 2.209,1107 6.59,1108 24.679,1109 3.58,1110 14.844,1111 18.749,1113 29.637,1114 14.587,1115 2.079,1116 6.025,1117 26.473,1118 3.041,1119 15.928,1120 20.177,1121 5.769,1122 31.871,1123 15.655,1124 1.491,1125 5.787,1126 28.27,1127 2.842,1128 16.979,1129 21.5,1131 34.081,1132 16.687,1133 7558,1134 14033,1135 18.205,1136 29.404,1137 42.215,1138 42.953,1139 43.209,1140 41.696,1141 41.574,1142 56.062,1143 4.188,1144 118.031,1145 40.318,1146 5.211,1147 5.584,1148 5.674,1149 5.032,1150 5.002,1151 7.054,1152 2.873,1153 15.848,1154 4.947,1155 14.841,1156 1.508,1157 1.534,1158 1.543,1159 1.489,1160 1.485,1161 2.002,1162 0.15,1163 4.215,1164 1.44,1165 4.022,1166 4.05,1167 3.98,1168 3.94,1169 8.201,1170 3.945,1171 3.921,1172 3.949,1173 3.872,1174 3.848,1175 7.475,1176 3.849,1177 3.776,1178 3.799,1179 3.722,1180 3.686,1181 6.471,1182 3.691,1183 3.366,1184 3.411,1185 3.296,1186 3.145,1187 6.351,1188 3.165,1189 3.19,1190 3.264,1191 3.12,1192 3.021,1193 4.873,1194 3.006,1195 3.163,1196 3.186,1197 2.99,1198 2.949,1199 4.661,1200 2.983,1201 2.928,1202 2.966,1203 2.843,1204 2.742,1205 4.51,1206 2.761,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.973,1212 2.715,1213 0.156,1214 0.128,1215 0.224,1216 0.142,1217 0.107,1218 4.375,1219 0.145,1220 3.584,1221 0.051,1222 6.26,1223 0.34,1224 3.984,1225 0.105,1226 3.002,1227 4.054,1228 1.437,1229 9.506,1230 2.947,1231 1.968,1232 1.945,1233 2.052,1234 2.07,1235 1.173,1236 2.065,1237 1.904,1238 1.878,1239 2.009,1240 2.002,1241 1.12,1242 2.005,1243 1.751,1244 1.728,1245 1.859,1246 1.867,1247 0.969,1248 1.864,1249 1.284,1250 1.23,1251 1.543,1252 1.54,1253 0.662,1254 1.524,1255 1.202,1256 1.123,1257 1.494,1258 1.419,1259 0.584,1260 1.461,1261 1.031,1262 1.025,1263 1.181,1264 1.329,1265 0.218,1266 1.262,1267 0.886,1268 0.821,1269 1.141,1270 1.097,1271 0.188,1272 1.107,1273 0.852,1274 0.811,1275 1.07,1276 1.062,1277 0.12,1278 1.076,1279 4.043,1281 5.361,1283 6.864,1285 8.449,1287 10.076,1289 1.786,1291 13.198,1294 18.76,1295 0.29,1296 3.148,1305 28.785,1306 70.649,1307 158.661,1308 192.045,1309 218.574,1310 218.574,1311 218.574,1312 57.521,1313 7.066,1314 82.45,1315 82.45,1316 18,1317 12.303,1318 4.322,1319 3.459,1320 44.222,1321 96,1322 100,1323 0.222,1324 177.939,1325 312.82,1326 425.93,1327 10399,1328 2.3,1329 18.681,1330 0.719,1331 0.54,1332 17.811,1333 14.031,1334 12.419,1335 0.444,1336 0.284,1337 7.854,1338 11.958,1339 7.655,1340 6.36,1341 12.025,1342 7.959,1343 11.59,1344 0.297,1345 0.151,1346 10.956,1347 5.897,1348 9.103,1349 0.19,1350 0.082,1351 8.782,1352 3.937,1353 7.063,1354 0.12,1355 0.044,1356 6.728,1357 2.593,1358 5.95,1359 0.077,1360 0.023,1361 5.751,1362 1.736,1363 0.346,1364 77.973,1365 0.234,1366 25.096,1367 0.612,1368 134,1369 478.124,1370 148.137,1371 439.931,1372 579.54,1373 406,1374 154,1375 410.537,1376 166.084,1377 412.699,1378 595.29,1379 387,1380 4}
{0 CHEMBL470852,1 1.643,2 10.269,3 4.476,4 20.032,5 96.81,6 8.195,7 0.643,8 3.868,9 3.965,10 3.489,11 3.437,12 5.145,13 3.437,14 4.321,15 4.454,16 3.849,17 3.793,18 5.686,19 3.779,20 4.579,21 4.748,22 3.894,23 3.905,24 5.852,25 3.871,26 4.642,27 4.848,28 3.788,29 3.855,30 5.82,31 3.8,32 4.605,33 4.817,34 3.79,35 3.822,36 5.845,37 3.759,38 4.571,39 4.777,40 3.75,41 3.774,42 5.817,43 3.726,44 4.52,45 4.715,46 3.695,47 3.71,48 5.799,49 3.68,50 4.435,51 4.616,52 3.667,53 3.631,54 5.923,55 3.59,56 0.118,57 0.643,58 7.266,59 3.906,60 17.416,61 4.307,62 0.24,63 1.015,64 12.56,65 6.194,66 37.055,67 7.37,68 0.367,69 1.295,70 18.333,71 7.816,72 46.777,73 9.144,74 0.447,75 1.289,76 21.767,77 8.151,78 64.221,79 10.055,80 0.535,81 1.253,82 21.588,83 8.343,84 75.111,85 10.759,86 0.494,87 1.134,88 20.935,89 7.746,90 67,91 9.707,92 0.472,93 1.089,94 19.763,95 7.191,96 73.722,97 8.351,98 0.593,99 0.971,100 17.955,101 7.036,102 89.833,103 8.561,104 27,105 39,106 0.284,107 0.638,108 0.789,109 0.911,110 0.911,111 0.911,112 3.304,113 0.853,114 -2.95,115 -2.95,116 -2.85,119 46.5,120 1,125 1,142 9,143 3,144 3,146 2,158 1,167 1,170 1,172 9,173 1,175 4,178 1,180 5,183 9,184 2,187 5,190 1,192 8,195 8,199 1,200 1,204 2,207 5,208 1,211 1,212 4,215 2,217 4,218 1,220 6,221 2,224 5,227 1,228 1,229 5,232 7,233 1,237 1,242 3,243 1,245 8,246 3,250 3,253 1,254 2,255 4,258 10,259 3,263 3,268 3,271 8,275 1048,276 17.102,277 17.102,278 17.102,279 17.102,280 17.102,281 14.719,282 16.368,283 10.026,284 17.32,285 13.816,286 13.816,287 13.816,288 13.816,289 13.816,290 10.225,291 19.521,292 4.794,293 14.214,294 3.783,295 1.736,296 0.867,297 0.157,298 0.157,299 0.157,300 3.983,304 1,305 1,306 563,307 3,311 265.515,318 1.423,319 37.491,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57.5,331 267,332 4.382,333 3.584,334 6.271,335 3.99,336 3.008,337 4.063,338 1.437,339 9.552,340 2.953,341 4.229,342 3.105,343 6.059,344 3.83,345 2.853,346 3.879,347 0.657,348 8.709,349 2.785,350 4.037,351 2.969,352 5.876,353 3.649,354 2.656,355 3.599,357 8.123,358 2.629,359 3.666,360 2.735,361 5.263,362 3.279,363 2.312,364 3.007,366 6.617,367 2.223,368 3.496,369 2.6,370 5.005,371 3.115,372 2.165,373 2.807,375 5.948,376 2.056,377 3.417,378 2.348,379 4.95,380 3.01,381 2.066,382 2.721,384 5.775,385 1.923,386 2.874,387 1.864,388 4.222,389 2.471,390 1.488,391 2.009,393 3.826,394 1.46,395 2.829,396 1.663,397 4.156,398 2.369,399 1.385,400 1.961,402 3.669,403 1.355,404 2.667,405 1.402,406 3.709,407 2.16,408 1.16,409 1.682,411 2.695,412 1.149,413 2.515,414 1.073,415 3.47,416 1.986,417 1,418 1.484,420 2.466,421 0.978,422 1.964,423 0.977,424 3.268,425 1.686,426 0.747,427 0.882,428 1.757,429 0.697,430 1.262,431 0.44,432 2.676,433 0.95,438 0.981,439 0.4,440 2.594,441 0.565,442 -0.386,443 -0.495,445 -0.87,446 -0.358,447 0.845,448 0.009,449 2.359,450 0.445,451 -0.514,452 -0.621,454 -1.242,455 -0.471,456 0.803,457 -0.057,458 2.176,459 0.42,460 -0.532,461 -0.697,463 -1.542,464 -0.511,465 12.086,466 0.465,467 0.753,468 0.029,469 36.5,470 1.404,471 20.5,472 0.788,473 16,474 0.615,475 17.99,476 0.692,477 27.514,478 0.64,479 28.45,480 1.094,481 7.572,482 0.291,483 4.847,484 0.186,485 0.148,487 0.372,491 1,493 0.766,494 0.943,495 0.737,496 0.89,497 0.737,498 0.824,499 0.565,500 1.086,501 0.721,502 1.026,503 0.47,504 0.939,505 0.934,506 1.124,507 1.045,508 1.11,509 0.861,510 1.101,511 0.943,512 1.005,513 1.065,514 1.025,515 0.869,516 1.053,517 0.688,518 0.916,519 0.894,520 1.006,521 0.742,522 1.01,523 0.865,524 0.836,525 0.932,526 0.913,527 0.872,528 0.931,529 1.217,530 0.863,531 1.091,532 0.927,533 1.21,534 0.949,535 0.796,536 0.809,537 0.913,538 1.012,539 0.844,540 1.012,541 6.5,542 0.186,543 2.889,544 1.5,545 1.609,546 0.944,547 0.389,548 0.552,549 0.348,550 0.166,551 7602,552 25662,553 2.014,554 39.5,555 3,556 11,559 3,564 1.694,565 1.857,566 3.326,567 0.936,569 1,573 70.649,574 1.643,575 3.69,576 4.559,577 5.269,578 5.269,579 5.269,580 2.69,581 4.152,582 4.673,583 3.482,584 1131.61,585 8.113,586 14269.9,588 1,590 1,591 233.329,592 1.502,593 4.615,594 0.232,595 0.011,596 0.074,597 0.038,598 0.047,599 0.028,600 0.012,601 0.018,602 0.012,603 0.007,604 0.48,605 0.33,606 1,607 0.819,608 127.098,609 -0.103,610 0.026,611 -0.017,612 0.101,613 -0.122,614 0.074,615 0.083,616 -0.114,617 0.064,618 -0.044,619 0.142,620 -0.006,621 -0.11,622 -0.096,623 -0.168,624 -0.15,625 -0.08,626 -0.168,627 -0.126,628 -0.08,629 -0.115,630 -0.081,631 -0.097,632 -0.086,633 0.129,634 0.043,635 0.075,636 -0.031,637 0.05,638 -0.008,639 -0.017,640 0.02,641 0.04,642 0.039,643 -0.038,644 0.051,645 -0.195,646 0.062,647 -0.108,648 0.023,649 -0.18,650 0.002,651 0.215,652 0.025,653 0.067,654 -0.033,655 0.195,656 -0.033,657 2.729,658 5.2,659 0.692,660 22.639,661 1.018,662 1.123,663 1.718,664 2.952,665 0.684,666 3.367,667 3.689,668 3.892,669 4.111,670 4.357,671 4.357,672 4.431,673 4.511,674 4.595,675 4.635,676 6.182,677 0.669,678 352.39,679 3.367,680 4.905,681 5.733,682 6.6,683 7.447,684 8.315,685 9.17,686 10.038,687 10.896,688 11.765,689 4.7,694 1,699 1,704 9,705 1,709 8,711 18,720 1,724 1,728 1,730 1,731 43,733 19,734 2,735 28,737 45,738 20,739 17,740 5,741 7,742 1,746 3,747 3,752 1,761 18,762 2,766 1,771 1,775 1,778 1,779 1,781 17,782 6,783 3,784 6,790 2,794 1,795 3,805 1,812 3,838 1,840 3,844 1,846 1,848 26,853 2,854 1,855 1,869 1,870 7,872 2,873 1,877 14,878 7.91,879 5.667,880 2.361,881 3.198,882 1.453,883 0.948,884 5.194,885 10.263,886 3.664,887 4.284,888 4.822,889 5.368,890 5.934,891 6.087,892 6.423,893 6.74,894 7.127,895 7.425,896 0.857,897 39,898 9.61,900 4.141,901 8.154,902 17.617,904 14.153,905 2.654,906 69,909 1,910 164.795,911 124.075,912 34.796,914 110.512,915 14.96,917 124.075,918 275.307,919 49.756,920 8.825,921 2.106,922 85.286,923 146.218,924 26.948,925 14.96,926 164.795,928 164.795,929 158.871,930 125.472,933 179.756,934 110.512,937 16.444,938 107.631,939 34.796,941 179.756,942 145.308,943 124.075,946 164.795,947 29.964,948 94.111,949 18.011,950 142.257,951 164.795,952 160.268,953 124.075,955 0.587,956 0.328,957 0.168,958 0.098,959 18,960 9,961 0.111,962 5,964 1,965 3.734,966 212.696,968 18,969 120.211,974 17.899,975 7.544,976 4.396,978 160.268,979 13.816,980 4.478,984 2.941,986 103.377,987 449.138,988 38,993 11.43,997 -1.062,999 43.767,1000 48.286,1001 0.303,1002 0.68,1003 0.84,1004 0.971,1005 0.971,1006 0.971,1007 4.887,1008 1.385,1009 5.727,1010 3.826,1011 4.369,1012 4.97,1013 1.79,1014 6.5,1015 4.314,1016 6.111,1017 1.16,1018 7.269,1019 3.669,1020 4.007,1021 4.796,1023 7.302,1024 3.911,1025 7.418,1026 1,1027 8.903,1028 2.695,1029 5.938,1030 7.16,1031 2.292,1032 10.344,1033 5.839,1034 8.754,1035 0.747,1036 10.588,1037 2.466,1038 6.312,1039 7.71,1041 11.907,1042 6.18,1043 10.116,1045 12.304,1046 1.757,1047 7.756,1048 9.593,1049 2.931,1050 14.466,1051 7.62,1052 11.495,1053 -0.386,1054 14.042,1056 8.477,1057 10.502,1059 16.372,1060 8.315,1061 12.888,1062 -0.514,1063 15.795,1064 -0.87,1065 9.713,1066 12.157,1067 3.621,1068 18.737,1069 9.542,1070 3.008,1071 -0.532,1072 17.56,1073 -1.242,1074 10.608,1075 13.264,1077 20.809,1078 10.416,1079 2.853,1080 9.552,1081 19.333,1082 -1.542,1083 11.751,1084 14.797,1085 4.33,1086 23.092,1087 11.546,1088 2.656,1089 8.709,1090 21.114,1091 4.063,1092 12.735,1093 16.018,1095 25.245,1096 12.51,1097 2.312,1098 8.123,1099 22.901,1100 3.879,1101 13.837,1102 17.484,1103 5.048,1104 27.495,1105 13.598,1106 2.165,1107 6.617,1108 24.693,1109 3.599,1110 14.867,1111 18.771,1113 29.688,1114 14.608,1115 2.066,1116 5.948,1117 26.488,1118 3.007,1119 15.953,1120 20.2,1121 5.769,1122 31.927,1123 15.677,1124 1.488,1125 5.775,1126 28.288,1127 2.807,1128 17.006,1129 21.526,1131 34.142,1132 16.711,1133 7478,1134 13845,1135 18.205,1136 29.404,1137 42.297,1138 43.087,1139 43.215,1140 41.793,1141 41.679,1142 56.188,1143 4.188,1144 118.273,1145 40.415,1146 5.217,1147 5.584,1148 5.823,1149 5.038,1150 5.008,1151 7.063,1152 2.873,1153 15.965,1154 4.953,1155 14.748,1156 1.511,1157 1.539,1158 1.543,1159 1.493,1160 1.489,1161 2.007,1162 0.15,1163 4.224,1164 1.443,1165 4.022,1166 4.05,1167 3.98,1168 3.94,1169 8.201,1170 3.946,1171 3.921,1172 3.949,1173 3.873,1174 3.848,1175 7.475,1176 3.849,1177 3.776,1178 3.799,1179 3.721,1180 3.686,1181 6.471,1182 3.691,1183 3.366,1184 3.411,1185 3.296,1186 3.145,1187 6.351,1188 3.165,1189 3.188,1190 3.264,1191 3.111,1192 3.021,1193 4.87,1194 3.005,1195 3.157,1196 3.182,1197 2.986,1198 2.947,1199 4.661,1200 2.976,1201 2.941,1202 2.975,1203 2.839,1204 2.746,1205 4.524,1206 2.76,1207 2.893,1208 2.947,1209 2.776,1210 2.741,1211 3.98,1212 2.745,1213 0.156,1214 0.128,1215 0.224,1216 0.143,1217 0.107,1218 4.382,1219 0.145,1220 3.584,1221 0.051,1222 6.271,1223 0.341,1224 3.99,1225 0.105,1226 3.008,1227 4.063,1228 1.437,1229 9.552,1230 2.953,1231 1.968,1232 1.945,1233 2.052,1234 2.07,1235 1.173,1236 2.065,1237 1.904,1238 1.878,1239 2.009,1240 2.002,1241 1.119,1242 2.005,1243 1.752,1244 1.729,1245 1.861,1246 1.867,1247 0.969,1248 1.865,1249 1.284,1250 1.23,1251 1.543,1252 1.54,1253 0.664,1254 1.524,1255 1.202,1256 1.123,1257 1.495,1258 1.419,1259 0.584,1260 1.461,1261 1.034,1262 1.022,1263 1.175,1264 1.324,1265 0.243,1266 1.26,1267 0.883,1268 0.839,1269 1.128,1270 1.141,1271 0.137,1272 1.131,1273 0.852,1274 0.809,1275 1.07,1276 1.054,1277 0.121,1278 1.065,1279 4.043,1281 5.361,1283 6.864,1285 8.45,1287 10.08,1289 1.782,1291 13.2,1294 18.996,1295 0.277,1296 3.141,1305 28.785,1306 70.649,1307 158.661,1308 196.045,1309 226.574,1310 226.574,1311 226.574,1312 58.231,1313 7.066,1314 82.45,1315 82.45,1316 18,1317 12.311,1318 4.322,1319 3.459,1320 44.194,1321 95,1322 100,1323 0.224,1324 177.939,1325 312.82,1326 425.93,1327 10399,1328 2.3,1329 18.681,1330 0.719,1331 0.54,1332 17.811,1333 14.031,1334 12.419,1335 0.444,1336 0.284,1337 7.854,1338 11.958,1339 7.654,1340 6.361,1341 12.025,1342 7.959,1343 11.602,1344 0.297,1345 0.151,1346 10.968,1347 5.901,1348 9.019,1349 0.188,1350 0.082,1351 8.699,1352 3.916,1353 7.215,1354 0.12,1355 0.044,1356 6.88,1357 2.626,1358 5.955,1359 0.077,1360 0.023,1361 5.757,1362 1.733,1363 0.349,1364 77.973,1365 0.234,1366 25.032,1367 0.622,1368 134,1369 478.124,1370 148.137,1371 439.996,1372 579.56,1373 406,1374 154,1375 410.537,1376 166.084,1377 412.835,1378 595.56,1379 387,1380 4}
{0 CHEMBL470853,1 1.643,2 10.231,3 4.476,4 20.032,5 96.81,6 8.195,7 0.643,8 3.868,9 3.965,10 3.489,11 3.437,12 5.146,13 3.437,14 4.321,15 4.454,16 3.849,17 3.793,18 5.679,19 3.779,20 4.58,21 4.748,22 3.917,23 3.906,24 5.861,25 3.878,26 4.65,27 4.846,28 3.825,29 3.861,30 5.885,31 3.815,32 4.628,33 4.842,34 3.79,35 3.831,36 5.847,37 3.771,38 4.578,39 4.787,40 3.776,41 3.782,42 5.814,43 3.738,44 4.536,45 4.713,46 3.73,47 3.715,48 5.998,49 3.684,50 4.458,51 4.666,52 3.572,53 3.626,54 5.745,55 3.571,56 0.118,57 0.643,58 7.266,59 3.906,60 17.527,61 4.307,62 0.24,63 1.015,64 12.56,65 6.194,66 37.722,67 7.37,68 0.353,69 1.295,70 18.319,71 7.815,72 44.666,73 9.171,74 0.494,75 1.292,76 21.654,77 8.128,78 68.444,79 9.846,80 0.541,81 1.275,82 22.258,83 8.411,84 78.5,85 10.727,86 0.477,87 1.137,88 21.179,89 7.915,90 69.055,91 9.997,92 0.686,93 1.092,94 19.731,95 7.159,96 104.5,97 8.174,98 0.473,99 0.99,100 19.42,101 7.218,102 70.333,103 8.818,104 27,105 39,106 0.284,107 0.638,108 0.781,109 0.903,110 0.911,111 0.911,112 3.304,113 0.853,114 -2.95,115 -2.95,116 -2.85,119 46.5,120 1,125 1,142 9,143 3,144 3,146 2,158 1,167 1,170 1,172 9,173 1,175 4,178 1,180 5,183 9,184 2,187 4,190 1,192 8,195 7,199 2,200 1,202 1,204 3,207 5,208 1,211 1,212 4,215 1,217 4,218 1,220 6,221 1,224 4,227 1,228 1,229 3,230 1,232 8,233 2,237 2,240 1,241 2,242 4,245 8,246 3,250 3,255 4,258 8,259 3,263 3,268 5,271 7,275 1036,276 17.154,277 17.154,278 17.154,279 17.154,280 17.154,281 14.744,282 16.368,283 10.062,284 17.366,285 13.8,286 13.8,287 13.8,288 13.8,289 13.8,290 10.203,291 19.521,292 4.782,293 14.189,294 3.783,295 1.736,296 0.914,297 0.204,298 0.157,299 0.157,300 3.983,304 1,305 1,306 561,307 3,311 263.995,318 1.385,319 38.182,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 57.5,331 266,332 4.43,333 3.584,334 6.485,335 4.041,336 3.062,337 4.119,338 1.437,339 10.113,340 2.996,341 4.23,342 3.113,343 6.061,344 3.833,345 2.857,346 3.879,347 0.657,348 8.716,349 2.787,350 4.092,351 3.073,352 5.964,353 3.706,354 2.716,355 3.657,357 8.404,358 2.681,359 3.644,360 2.763,361 5.307,362 3.269,363 2.302,364 2.966,366 6.656,367 2.214,368 3.459,369 2.595,370 4.969,371 3.039,372 2.107,373 2.774,375 5.812,376 1.944,377 3.277,378 2.131,379 4.914,380 2.878,381 1.908,382 2.552,384 5.437,385 1.845,386 2.862,387 1.773,388 4.173,389 2.459,390 1.472,391 2.018,393 3.768,394 1.45,395 2.848,396 1.661,397 3.922,398 2.392,399 1.414,400 1.979,402 3.144,403 1.377,404 2.7,405 1.511,406 3.701,407 2.197,408 1.195,409 1.715,411 2.873,412 1.184,413 2.515,414 1.081,415 3.577,416 1.986,417 1,418 1.484,420 2.536,421 0.978,422 1.965,423 0.977,424 3.268,425 1.686,426 0.747,427 0.882,428 1.757,429 0.697,430 1.263,431 0.441,432 2.681,433 0.951,438 1.159,439 0.4,440 2.598,441 0.787,442 -0.154,443 -0.193,445 -0.353,446 -0.143,447 0.805,448 0.122,449 2.359,450 0.439,451 -0.514,452 -0.621,454 -1.242,455 -0.472,456 0.788,457 0.009,458 2.177,459 0.332,460 -0.619,461 -0.794,463 -1.693,464 -0.589,465 12.086,466 0.465,467 0.736,468 0.028,469 36.5,470 1.404,471 20.5,472 0.788,473 16,474 0.615,475 18.074,476 0.695,477 27.514,478 0.64,479 28.6,480 1.1,481 7.587,482 0.292,483 4.849,484 0.186,485 0.148,487 0.372,491 1,493 0.766,494 0.943,495 0.737,496 0.89,497 0.736,498 0.824,499 0.565,500 1.086,501 0.721,502 1.026,503 0.48,504 0.939,505 0.918,506 1.124,507 0.996,508 1.105,509 0.841,510 1.071,511 0.988,512 1.018,513 1.089,514 1.045,515 0.918,516 1.074,517 0.783,518 0.9,519 0.939,520 0.986,521 0.816,522 0.999,523 0.823,524 0.839,525 0.867,526 0.917,527 0.849,528 0.905,529 1.147,530 0.877,531 1.169,532 0.965,533 1.137,534 1.04,535 1.013,536 0.735,537 0.969,538 0.901,539 1.052,540 0.925,541 6,542 0.144,543 3.111,544 1.75,545 1.449,546 1.028,547 0.489,548 0.431,549 0.373,550 0.206,551 7518,552 25218,553 2.014,554 39.5,555 3,556 11,559 3,564 1.694,565 1.857,566 3.305,567 0.936,569 1,573 70.649,574 1.643,575 3.69,576 4.513,577 5.223,578 5.269,579 5.269,580 2.671,581 3.873,582 4.674,583 3.46,584 1124.53,585 8.115,586 14120.1,588 1,590 1,591 233.329,592 1.502,593 4.615,594 0.214,595 0.008,596 0.08,597 0.044,598 0.041,599 0.03,600 0.014,601 0.014,602 0.014,603 0.009,604 0.468,605 0.33,606 1,607 0.819,608 126.826,609 -0.103,610 0.026,611 -0.017,612 0.101,613 -0.122,614 0.074,615 0.083,616 -0.114,617 0.064,618 -0.044,619 0.131,620 -0.006,621 -0.093,622 -0.096,623 -0.118,624 -0.145,625 -0.059,626 -0.138,627 -0.111,628 -0.091,629 -0.143,630 -0.105,631 -0.091,632 -0.124,633 0.06,634 0.056,635 0.037,636 -0.018,637 -0.005,638 -0.003,639 0.013,640 0.008,641 0.108,642 0.041,643 -0.02,644 0.087,645 -0.019,646 0.051,647 -0.189,648 -0.024,649 -0.01,650 -0.118,651 -0.055,652 0.085,653 0.04,654 0.076,655 -0.052,656 0.08,657 2.747,658 5.202,659 0.692,660 22.154,661 1.018,662 1.123,663 1.718,664 2.952,665 0.684,666 3.367,667 3.689,668 3.912,669 4.127,670 4.357,671 4.369,672 4.431,673 4.511,674 4.575,675 4.615,676 6.108,677 0.669,678 352.39,679 3.367,680 4.905,681 5.74,682 6.608,683 7.461,684 8.332,685 9.191,686 10.063,687 10.926,688 11.799,689 4.7,694 1,699 1,704 9,705 1,709 8,711 18,720 1,724 1,728 1,730 1,731 43,733 19,734 2,735 28,737 45,738 20,739 17,740 5,741 7,742 1,746 3,747 3,752 1,761 18,762 2,766 1,771 1,775 1,778 1,779 1,781 17,782 6,783 3,784 6,790 2,794 1,795 3,805 1,812 3,838 1,840 3,844 1,846 1,848 26,853 2,854 1,855 1,869 1,870 7,872 2,873 1,877 14,878 7.91,879 5.694,880 2.368,881 3.228,882 1.457,883 0.948,884 5.194,885 10.294,886 3.664,887 4.284,888 4.834,889 5.378,890 5.934,891 6.091,892 6.417,893 6.738,894 7.091,895 7.398,896 0.857,897 40,898 9.62,900 4.157,901 8.154,902 17.617,904 14.157,905 2.654,906 69,909 1,910 164.795,911 124.075,912 34.796,914 110.512,915 14.96,917 124.075,918 275.307,919 49.756,920 8.825,921 2.106,922 85.286,923 146.218,924 26.948,925 14.96,926 164.795,928 164.795,929 158.871,930 125.472,933 179.756,934 110.512,937 16.444,938 107.631,939 34.796,941 179.756,942 145.308,943 124.075,946 164.795,947 29.964,948 94.111,949 18.011,950 142.257,951 164.795,952 160.268,953 124.075,955 0.586,956 0.335,957 0.171,958 0.097,959 18,960 9,961 0.111,962 5,964 1,965 3.716,966 213.86,968 18,969 122.211,974 17.899,975 7.544,976 4.207,978 160.268,979 13.886,980 4.449,984 2.568,986 103.377,987 449.138,988 38,993 11.435,997 -1.08,999 43.767,1000 48.286,1001 0.303,1002 0.68,1003 0.832,1004 0.962,1005 0.971,1006 0.971,1007 4.887,1008 1.414,1009 5.733,1010 3.768,1011 4.369,1012 4.97,1013 1.79,1014 6.521,1015 4.314,1016 6.111,1017 1.195,1018 7.286,1019 3.144,1020 4.007,1021 4.796,1023 7.372,1024 3.911,1025 7.42,1026 1,1027 8.934,1028 2.873,1029 5.948,1030 7.167,1031 2.292,1032 10.433,1033 5.848,1034 8.762,1035 0.747,1036 10.637,1037 2.536,1038 6.347,1039 7.74,1041 12.073,1042 6.212,1043 10.129,1045 12.373,1046 1.757,1047 7.794,1048 9.62,1049 2.931,1050 14.652,1051 7.653,1052 11.517,1053 -0.154,1054 14.133,1056 8.547,1057 10.559,1059 16.636,1060 8.378,1061 12.919,1062 -0.514,1063 15.91,1064 -0.353,1065 9.787,1066 12.21,1067 3.621,1068 19.033,1069 9.608,1070 3.062,1071 -0.619,1072 17.699,1073 -1.242,1074 10.713,1075 13.346,1077 21.178,1078 10.508,1079 2.857,1080 10.113,1081 19.499,1082 -1.693,1083 11.863,1084 14.878,1085 4.33,1086 23.505,1087 11.644,1088 2.716,1089 8.716,1090 21.306,1091 4.119,1092 12.873,1093 16.124,1095 25.726,1096 12.63,1097 2.302,1098 8.404,1099 23.12,1100 3.879,1101 13.987,1102 17.592,1103 5.048,1104 28.028,1105 13.727,1106 2.107,1107 6.656,1108 24.94,1109 3.657,1110 15.039,1111 18.9,1113 30.287,1114 14.755,1115 1.908,1116 5.812,1117 26.764,1118 2.966,1119 16.138,1120 20.334,1121 5.769,1122 32.584,1123 15.836,1124 1.472,1125 5.437,1126 28.592,1127 2.774,1128 17.211,1129 21.679,1131 34.863,1132 16.886,1133 7399,1134 13658,1135 18.205,1136 29.404,1137 42.189,1138 42.972,1139 43.398,1140 41.679,1141 41.561,1142 56.056,1143 4.188,1144 118.429,1145 40.308,1146 5.266,1147 5.584,1148 6.169,1149 5.089,1150 5.062,1151 7.119,1152 2.873,1153 16.88,1154 4.996,1155 14.64,1156 1.507,1157 1.535,1158 1.55,1159 1.489,1160 1.484,1161 2.002,1162 0.15,1163 4.23,1164 1.44,1165 4.023,1166 4.05,1167 3.982,1168 3.94,1169 8.201,1170 3.946,1171 3.921,1172 3.949,1173 3.873,1174 3.848,1175 7.475,1176 3.849,1177 3.774,1178 3.799,1179 3.718,1180 3.687,1181 6.469,1182 3.69,1183 3.366,1184 3.411,1185 3.296,1186 3.145,1187 6.351,1188 3.165,1189 3.186,1190 3.263,1191 3.102,1192 3.021,1193 4.859,1194 3.005,1195 3.151,1196 3.179,1197 2.982,1198 2.946,1199 4.66,1200 2.972,1201 2.945,1202 2.977,1203 2.835,1204 2.746,1205 4.556,1206 2.76,1207 2.895,1208 2.948,1209 2.79,1210 2.741,1211 3.984,1212 2.747,1213 0.158,1214 0.128,1215 0.232,1216 0.144,1217 0.109,1218 4.43,1219 0.147,1220 3.584,1221 0.051,1222 6.485,1223 0.361,1224 4.041,1225 0.107,1226 3.062,1227 4.119,1228 1.437,1229 10.113,1230 2.996,1231 1.967,1232 1.945,1233 2.05,1234 2.07,1235 1.172,1236 2.064,1237 1.904,1238 1.878,1239 2.009,1240 2.002,1241 1.119,1242 2.005,1243 1.753,1244 1.729,1245 1.866,1246 1.866,1247 0.97,1248 1.867,1249 1.284,1250 1.23,1251 1.543,1252 1.54,1253 0.666,1254 1.524,1255 1.202,1256 1.123,1257 1.496,1258 1.419,1259 0.584,1260 1.461,1261 1.035,1262 1.02,1263 1.175,1264 1.32,1265 0.244,1266 1.259,1267 0.883,1268 0.84,1269 1.13,1270 1.148,1271 0.147,1272 1.132,1273 0.852,1274 0.809,1275 1.07,1276 1.054,1277 0.121,1278 1.066,1279 4.043,1281 5.361,1283 6.87,1285 8.466,1287 10.105,1289 1.778,1291 13.202,1294 19.374,1295 0.258,1296 3.131,1305 28.785,1306 70.649,1307 158.661,1308 194.045,1309 224.574,1310 226.574,1311 226.574,1312 59.884,1313 7.066,1314 82.45,1315 82.45,1316 18,1317 12.342,1318 4.322,1319 3.459,1320 44.18,1321 94,1322 100,1323 0.227,1324 177.939,1325 312.82,1326 425.93,1327 10399,1328 2.3,1329 18.681,1330 0.719,1331 0.54,1332 17.811,1333 14.031,1334 12.436,1335 0.444,1336 0.284,1337 7.86,1338 11.979,1339 7.663,1340 6.368,1341 12.042,1342 7.965,1343 11.496,1344 0.295,1345 0.15,1346 10.862,1347 5.867,1348 9.159,1349 0.187,1350 0.081,1351 8.839,1352 3.954,1353 7.315,1354 0.12,1355 0.043,1356 6.98,1357 2.641,1358 5.914,1359 0.077,1360 0.022,1361 5.716,1362 1.724,1363 0.353,1364 78.074,1365 0.234,1366 24.976,1367 0.633,1368 134,1369 478.124,1370 148.137,1371 439.777,1372 580.12,1373 406,1374 155,1375 411.537,1376 167.417,1377 413.496,1378 598.46,1379 388,1380 4}
{0 CHEMBL470855,1 1.699,2 10.769,3 1.669,4 2.785,5 100.162,6 7.397,7 0.444,8 3.979,9 4.108,10 3.495,11 3.421,12 5.164,13 3.42,14 4.48,15 4.665,16 3.794,17 3.761,18 5.664,19 3.733,20 4.725,21 4.953,22 3.856,23 3.871,24 5.9,25 3.822,26 4.721,27 4.948,28 3.785,29 3.849,30 5.841,31 3.791,32 4.72,33 4.946,34 3.815,35 3.857,36 5.985,37 3.78,38 4.726,39 4.968,40 3.75,41 3.841,42 5.814,43 3.765,44 4.705,45 4.937,46 3.734,47 3.806,48 5.823,49 3.747,50 4.713,51 4.954,52 3.746,53 3.762,54 5.983,55 3.69,56 0.139,57 0.77,58 10.418,59 4.125,60 20.557,61 5.543,62 0.352,63 1.149,64 18.911,65 6.451,66 43.032,67 9.111,68 0.601,69 1.337,70 26.106,71 7.723,72 71.722,73 11.306,74 0.505,75 1.29,76 25.833,77 7.566,78 68.149,79 11.228,80 0.733,81 1.271,82 25.987,83 8.361,84 96.027,85 12.01,86 0.541,87 1.216,88 26.393,89 7.971,90 72.122,91 11.879,92 0.531,93 1.208,94 25.752,95 7.293,96 74.135,97 10.836,98 0.78,99 1.157,100 26.624,101 7.432,102 99.056,103 11.322,104 39,105 35,106 0.291,107 0.652,108 0.798,109 0.862,110 0.883,111 0.904,112 3.304,113 0.92,114 -2.7,115 -2.72,116 -2.64,119 36.7,120 1,125 5,142 5,143 2,144 2,146 1,147 1,158 1,172 5,175 3,178 2,180 4,183 4,187 3,190 1,191 2,192 7,195 3,204 2,207 1,211 1,212 2,215 4,216 2,217 3,220 2,224 3,227 1,228 1,229 3,232 5,242 3,245 5,250 2,253 2,254 3,255 5,258 3,263 3,267 1,268 3,275 1148,276 17.447,277 17.447,278 17.447,279 17.447,280 17.447,281 15.83,282 24.397,283 10.805,284 17.814,285 13.269,286 13.269,287 13.269,288 13.269,289 13.269,290 10.705,291 34.634,292 5.083,293 13.886,294 3.915,295 1.813,296 0.962,297 0.587,298 0.464,299 0.342,300 3.969,303 1,304 1,305 1,306 565,307 3.742,311 191.486,318 1.574,319 37.509,321 1,322 1,323 1,324 0.83,325 1,326 1,327 1,328 1,329 0.98,330 58.5,331 280,332 4.3,333 3.564,334 6.125,335 3.918,336 2.935,337 3.933,338 1.058,339 9.058,340 2.89,341 4.225,342 3.103,343 6.057,344 3.825,345 2.846,346 3.874,347 0.657,348 8.702,349 2.782,350 3.745,351 2.876,352 5.459,353 3.39,354 2.423,355 3.057,356 0.4,357 7.153,358 2.33,359 3.479,360 2.646,361 5.029,362 3.112,363 2.174,364 2.785,366 6.081,367 2.036,368 3.358,369 2.376,370 4.943,371 2.993,372 2.049,373 2.61,375 5.762,376 1.913,377 2.854,378 1.9,379 4.187,380 2.553,381 1.607,382 1.98,384 3.83,385 1.516,386 2.806,387 1.842,388 4.145,389 2.45,390 1.469,391 1.852,393 3.715,394 1.44,395 2.451,396 1.676,397 3.433,398 2.321,399 1.385,400 1.448,402 2.594,403 1.288,404 2.367,405 1.645,406 3.278,407 2.06,408 1.077,409 1.296,411 2.137,412 1.044,413 1.965,414 1.011,415 3.248,416 1.689,417 0.753,418 0.885,420 1.759,421 0.701,422 1.382,423 0.994,424 2.657,425 1.157,426 0.275,427 0.295,428 0.448,429 0.24,430 1.292,431 0.757,432 2.591,433 1.037,434 0.119,435 0.132,436 0.18,437 0.107,438 1.259,439 0.404,440 2.406,441 0.95,447 0.804,448 0.009,449 2.359,450 0.44,451 -0.514,452 -0.621,454 -1.242,455 -0.471,456 0.783,457 -0.165,458 2.055,459 0.354,460 -0.576,461 -0.698,463 -1.296,464 -0.536,465 11.886,466 0.457,467 0.558,468 0.021,469 31,470 1.192,471 14.5,472 0.558,473 16.5,474 0.635,475 20.854,476 0.802,477 30.114,478 0.615,479 24.966,480 0.96,481 6.602,482 0.254,483 5.926,484 0.228,485 0.15,487 0.294,491 1,493 0.849,494 1.256,495 0.845,496 1.126,497 0.75,498 1.003,499 0.821,500 1.162,501 0.903,502 1.086,503 0.714,504 1.026,505 0.943,506 1.039,507 0.966,508 0.947,509 0.893,510 0.952,511 0.999,512 1.096,513 1.042,514 1.053,515 0.966,516 1.046,517 0.67,518 0.93,519 0.966,520 1.095,521 0.768,522 1.112,523 0.809,524 0.906,525 0.93,526 0.978,527 0.804,528 0.979,529 1.069,530 1.012,531 1.082,532 1.029,533 0.998,534 1.036,535 0.731,536 0.832,537 0.923,538 0.95,539 0.709,540 0.978,541 5.5,542 0.165,543 2.444,544 1.5,545 1.427,546 0.757,547 0.407,548 0.486,549 0.295,550 0.191,551 7291,552 24560,553 1.952,554 46.9,555 3,556 15,559 5,564 1.695,565 1.814,566 3.402,567 2.596,568 1,569 1,573 83.265,574 1.699,575 3.802,576 4.653,577 5.028,578 5.15,579 5.273,580 2.874,581 4.393,582 4.667,583 3.556,584 1155.7,585 8.113,586 14992.8,588 1,590 1,591 275.121,592 1.448,593 4.62,594 0.204,595 0.009,596 0.07,597 0.042,598 0.043,599 0.023,600 0.013,601 0.016,602 0.01,603 0.008,604 0.436,605 0.17,606 1,607 1.673,608 128.278,609 -0.13,610 -0.09,611 -0.016,612 0.033,613 -0.109,614 0.039,615 -0.048,616 -0.1,617 -0.014,618 -0.025,619 -0.02,620 -0.018,621 -0.058,622 -0.006,623 -0.018,624 0.039,625 -0.057,626 0.024,627 -0.151,628 -0.119,629 -0.103,630 -0.069,631 -0.12,632 -0.068,633 0.19,634 0.095,635 -0.026,636 -0.082,637 0.105,638 -0.115,639 -0.038,640 -0.013,641 0.006,642 0.003,643 -0.044,644 0.015,645 -0.174,646 -0.046,647 -0.13,648 -0.062,649 -0.133,650 -0.07,651 0.164,652 0.038,653 0.045,654 -0.006,655 0.149,656 -0.014,657 1.993,658 5.195,659 0.462,660 26.166,661 1.015,662 1.145,663 1.473,664 2.168,665 0.631,666 3.332,667 3.584,668 3.761,669 3.951,670 4.159,671 4.159,672 4.19,673 4.263,674 4.29,675 4.331,676 6.489,677 0.61,678 362.45,679 3.332,680 4.828,681 5.631,682 6.472,683 7.3,684 8.15,685 8.989,686 9.842,687 10.686,688 11.541,689 8.2,694 2,696 1,699 1,704 5,705 1,709 6,711 12,718 1,724 2,730 1,731 49,733 13,734 1,735 27,737 50,738 18,739 11,740 3,741 3,742 1,746 2,747 2,752 3,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 23,782 8,783 5,784 8,790 4,794 1,795 3,796 2,805 1,812 2,838 2,840 2,844 1,846 1,848 26,853 2,854 5,855 3,869 1,870 6.1,871 2,873 1,877 14.333,878 8.576,879 6.056,880 2.718,881 2.27,882 1.337,883 0.906,884 7.785,885 9.013,886 3.555,887 4.078,888 4.564,889 5.055,890 5.561,891 5.633,892 5.793,893 5.973,894 6.282,895 6.609,896 1,897 36,898 9.619,900 3.962,901 8.141,902 17.77,904 13.742,905 2.641,906 68.667,910 211.88,911 90.562,912 70.818,914 110.512,915 14.96,917 90.562,918 322.391,919 85.778,920 8.825,921 24.328,922 132.748,923 82.657,924 21.006,925 17.288,926 211.88,928 211.88,929 161.38,930 125.472,933 226.84,934 25.145,935 85.367,937 35.91,938 72.663,939 52.807,941 226.84,942 181.329,943 90.562,946 211.88,947 34.355,948 56.206,949 54.032,950 142.257,951 211.88,952 196.29,953 90.562,955 0.557,956 0.311,957 0.162,958 0.096,959 13,960 7,961 0.18,962 9,964 1,965 3.754,966 198.35,968 12,969 122.211,974 20.108,975 10.066,976 6.236,978 196.29,979 7.67,980 4.408,984 2.688,986 139.399,987 498.731,988 34,993 12.158,997 -0.326,999 49.738,1000 56.113,1001 0.303,1002 0.677,1003 0.829,1004 0.895,1005 0.917,1006 0.939,1007 4.754,1008 1.385,1009 5.587,1010 3.715,1011 4.263,1012 4.762,1013 1.487,1014 6.319,1015 4.184,1016 5.928,1017 1.077,1018 7.099,1019 2.594,1020 3.761,1021 4.543,1023 7.05,1024 3.672,1025 7.211,1026 0.753,1027 8.709,1028 2.137,1029 5.778,1030 6.884,1031 1.369,1032 10.101,1033 5.645,1034 8.528,1035 0.275,1036 10.374,1037 1.759,1038 6.066,1039 7.438,1041 11.614,1042 5.935,1043 9.876,1044 0.119,1045 12.073,1046 0.448,1047 7.55,1048 9.286,1049 1.381,1050 14.164,1051 7.382,1052 11.245,1054 13.796,1055 0.18,1056 8.223,1057 10.204,1059 16.023,1060 8.058,1061 12.629,1062 -0.514,1063 15.535,1065 9.474,1066 11.831,1067 1.439,1068 18.372,1069 9.279,1070 2.935,1071 -0.576,1072 17.286,1073 -1.242,1074 10.341,1075 12.941,1077 20.398,1078 10.145,1079 2.846,1080 9.058,1081 19.047,1082 -1.296,1083 11.485,1084 14.454,1085 1.516,1086 22.658,1087 11.266,1088 2.423,1089 8.702,1090 20.815,1091 3.933,1092 12.45,1093 15.671,1095 24.766,1096 12.224,1097 2.174,1098 7.153,1099 22.589,1100 3.874,1101 13.547,1102 17.121,1103 1.602,1104 26.986,1105 13.302,1106 2.049,1107 6.081,1108 24.368,1109 3.057,1110 14.56,1111 18.399,1113 29.135,1114 14.305,1115 1.607,1116 5.762,1117 26.151,1118 2.785,1119 15.637,1120 19.813,1121 1.691,1122 31.337,1123 15.364,1124 1.469,1125 3.83,1126 27.938,1127 2.61,1128 16.675,1129 21.126,1131 33.507,1132 16.389,1133 7497,1134 13831,1135 17.394,1136 30.938,1137 38.222,1138 40.548,1139 40.083,1140 38.17,1141 38.222,1142 48.293,1143 4.231,1144 102.84,1145 36.57,1146 5.158,1147 5.564,1148 5.988,1149 4.967,1150 4.935,1151 6.933,1152 2.117,1153 15.305,1154 4.89,1155 15.066,1156 1.416,1157 1.502,1158 1.485,1159 1.414,1160 1.416,1161 1.789,1162 0.157,1163 3.809,1164 1.354,1165 3.988,1166 4.027,1167 3.94,1168 3.885,1169 8.201,1170 3.892,1171 3.893,1172 3.925,1173 3.849,1174 3.798,1175 7.429,1176 3.807,1177 3.601,1178 3.669,1179 3.483,1180 3.355,1181 6.459,1182 3.373,1183 3.526,1184 3.593,1185 3.373,1186 3.307,1187 6.454,1188 3.312,1189 3.316,1190 3.379,1191 3.2,1192 3.114,1193 4.862,1194 3.122,1195 3.18,1196 3.263,1197 3.044,1198 3.02,1199 4.655,1200 3.001,1201 3.121,1202 3.168,1203 2.972,1204 2.835,1205 4.108,1206 2.875,1207 2.9,1208 2.965,1209 2.793,1210 2.723,1211 4.068,1212 2.73,1213 0.159,1214 0.132,1215 0.227,1216 0.145,1217 0.109,1218 4.3,1219 0.146,1220 3.564,1221 0.039,1222 6.125,1223 0.335,1224 3.918,1225 0.107,1226 2.935,1227 3.933,1228 1.058,1229 9.058,1230 2.89,1231 1.926,1232 1.896,1233 2.029,1234 2.054,1235 1.158,1236 2.046,1237 1.861,1238 1.832,1239 1.955,1240 1.983,1241 1.082,1242 1.979,1243 1.531,1244 1.463,1245 1.786,1246 1.809,1247 1.002,1248 1.803,1249 1.479,1250 1.411,1251 1.744,1252 1.729,1253 0.962,1254 1.736,1255 1.262,1256 1.2,1257 1.542,1258 1.508,1259 0.673,1260 1.508,1261 1.202,1262 1.123,1263 1.491,1264 1.419,1265 0.584,1266 1.461,1267 0.986,1268 0.94,1269 1.196,1270 1.332,1271 0.209,1272 1.29,1273 0.842,1274 0.789,1275 1.092,1276 1.127,1277 0.142,1278 1.115,1279 4.007,1281 5.273,1283 6.727,1285 8.277,1287 9.878,1289 1.797,1291 13.195,1294 17.795,1295 0.582,1296 8.699,1305 29.881,1306 83.265,1307 186.286,1308 228.001,1309 246.366,1310 252.366,1311 258.366,1312 70.868,1313 6.743,1314 106.51,1315 106.51,1316 12,1317 12.098,1318 3.807,1319 3,1320 54.738,1321 98,1322 106,1323 0.267,1324 188.518,1325 331.4,1326 451.744,1327 6814,1328 2,1329 18.941,1330 0.728,1331 0.56,1332 18.071,1333 14.55,1334 12.528,1335 0.464,1336 0.307,1337 8.122,1338 11.897,1339 7.955,1340 6.599,1341 12.135,1342 8.28,1343 10.694,1344 0.306,1345 0.162,1346 10.06,1347 5.675,1348 8.277,1349 0.197,1350 0.086,1351 7.957,1352 3.604,1353 6.414,1354 0.126,1355 0.046,1356 6.079,1357 2.367,1358 5.183,1359 0.082,1360 0.024,1361 4.984,1362 1.507,1363 0.418,1364 79.799,1365 0.24,1366 25.277,1367 0.732,1368 124,1369 462.79,1370 140.195,1371 414.67,1372 538.86,1373 386,1374 139,1375 364.887,1376 153.362,1377 362.902,1378 523.59,1379 341,1380 4}
{0 CHEMBL471046,1 1.692,2 10.16,3 2.868,4 8.224,5 93.953,6 7.676,7 0.444,8 3.915,9 4.029,10 3.481,11 3.405,12 5.096,13 3.406,14 4.444,15 4.612,16 3.857,17 3.792,18 5.69,19 3.774,20 4.717,21 4.923,22 3.864,23 3.903,24 5.884,25 3.851,26 4.732,27 4.971,28 3.755,29 3.838,30 5.816,31 3.771,32 4.657,33 4.89,34 3.766,35 3.81,36 5.834,37 3.734,38 4.629,39 4.847,40 3.721,41 3.781,42 5.764,43 3.717,44 4.65,45 4.869,46 3.653,47 3.702,48 5.843,49 3.656,50 4.537,51 4.764,52 3.589,53 3.584,54 5.917,55 3.527,56 0.123,57 0.721,58 8.974,59 4.067,60 19.955,61 5.044,62 0.343,63 1.151,64 16.993,65 6.534,66 49.251,67 8.657,68 0.532,69 1.378,70 24.546,71 8.276,72 63.983,73 11.129,74 0.54,75 1.308,76 26.32,77 8.041,78 71.927,79 11.43,80 0.662,81 1.238,82 24.158,83 8.087,84 69.339,85 11.372,86 0.509,87 1.139,88 23.157,89 7.812,90 71.773,91 10.71,92 0.611,93 1.102,94 24.703,95 7.364,96 98.401,97 9.726,98 0.755,99 0.968,100 22.684,101 6.911,102 113.907,103 9.439,104 27,105 38,106 0.294,107 0.683,108 0.845,109 0.905,110 0.905,111 0.905,112 3.267,113 0.899,114 -2.76,115 -2.77,116 -2.69,119 40,120 1,121 1,125 3,127 1,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,174 1,175 5,178 1,180 4,183 4,184 2,187 4,190 2,192 6,195 3,199 2,200 2,204 1,207 2,211 2,212 2,215 4,217 2,218 1,220 3,224 3,227 1,228 1,229 1,232 6,233 1,237 3,242 3,243 1,245 5,246 2,250 5,253 1,254 2,255 2,258 3,259 3,263 3,268 3,271 2,275 945,276 16.394,277 16.394,278 16.394,279 16.394,280 16.394,281 14.75,282 24.278,283 9.54,284 16.718,285 13.316,286 13.316,287 13.316,288 13.316,289 13.316,290 10.767,291 35.49,292 4.566,293 13.895,294 3.8,295 1.561,296 0.63,297 0.283,298 0.283,299 0.283,300 3.943,303 1,304 1,305 1,306 537,307 3,310 69.578,311 173.7,318 1.366,319 37.511,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 56,331 254,332 4.332,333 3.586,334 6.276,335 3.972,336 3.017,337 3.954,338 1.437,339 9.57,340 2.893,341 4.227,342 3.183,343 6.059,344 3.829,345 2.854,346 3.876,347 0.8,348 8.709,349 2.782,350 3.859,351 3.097,352 5.882,353 3.643,354 2.678,355 3.099,356 0.657,357 8.153,358 2.56,359 3.598,360 2.77,361 5.27,362 3.276,363 2.311,364 2.843,366 6.631,367 2.219,368 3.45,369 2.606,370 5,371 3.074,372 2.139,373 2.743,375 5.917,376 1.992,377 3.235,378 2.367,379 4.948,380 2.988,381 2.042,382 2.325,384 5.763,385 1.91,386 2.848,387 1.879,388 4.183,389 2.462,390 1.478,391 1.978,393 3.782,394 1.452,395 2.679,396 1.664,397 4.102,398 2.236,399 1.268,400 1.646,402 3.422,403 1.213,404 2.327,405 1.365,406 3.702,407 2.001,408 1.039,409 1.293,411 2.625,412 0.988,413 1.964,414 0.994,415 3.271,416 1.689,417 0.75,418 0.882,420 1.761,421 0.7,422 1.697,423 0.794,424 3.265,425 1.645,426 0.674,427 0.688,428 1.656,429 0.653,430 1.261,431 0.44,432 2.651,433 0.95,438 0.809,439 0.4,440 2.535,441 0.441,442 -0.514,443 -0.621,445 -1.242,446 -0.471,447 0.799,448 0.009,449 2.359,450 0.373,451 -0.565,452 -0.663,454 -1.566,455 -0.525,456 0.751,457 -0.205,458 2.171,459 0.331,460 -0.626,461 -0.799,463 -1.765,464 -0.593,465 11.486,466 0.459,467 0.753,468 0.03,469 30.75,470 1.23,471 14.5,472 0.58,473 16.25,474 0.65,475 20.337,476 0.813,477 28.114,478 0.625,479 23.479,480 0.939,481 6.21,482 0.248,483 5.709,484 0.228,485 0.155,487 0.383,491 1,493 0.787,494 1.191,495 0.779,496 1.077,497 0.72,498 0.955,499 0.66,500 1.109,501 0.798,502 1.041,503 0.501,504 0.962,505 0.95,506 1.108,507 1.064,508 1.1,509 0.854,510 1.103,511 0.926,512 0.998,513 0.997,514 0.967,515 0.834,516 0.981,517 0.609,518 0.848,519 0.904,520 0.988,521 0.676,522 1.018,523 0.835,524 0.923,525 0.955,526 1.037,527 0.864,528 1.03,529 1.312,530 0.897,531 1.144,532 0.96,533 1.348,534 0.991,535 0.916,536 0.711,537 0.899,538 0.818,539 0.941,540 0.857,541 6.5,542 0.188,543 2.889,544 1.472,545 1.557,546 0.875,547 0.402,548 0.565,549 0.3,550 0.166,551 6874,552 21957,553 2.015,554 44.4,555 3,556 12,559 3,562 2,564 1.683,565 1.852,566 3.302,567 1.005,568 1,569 1,571 1,573 76.126,574 1.692,575 3.931,576 4.862,577 5.208,578 5.208,579 5.208,580 2.663,581 4.374,582 4.617,583 3.448,584 1034.33,585 7.996,586 12673.7,588 1,590 1,591 247.133,592 1.516,593 4.555,594 0.241,595 0.013,596 0.076,597 0.041,598 0.049,599 0.027,600 0.013,601 0.02,602 0.012,603 0.008,604 0.498,605 0.33,606 1,607 0.836,608 120.589,609 -0.103,610 -0.101,611 0.003,612 0.028,613 -0.095,614 0.039,615 0.045,616 -0.073,617 0.052,618 -0.012,619 0.123,620 0.017,621 -0.095,622 -0.093,623 -0.14,624 -0.12,625 -0.063,626 -0.138,627 -0.119,628 -0.089,629 -0.042,630 -0.024,631 -0.087,632 -0.01,633 0.191,634 0.141,635 0.041,636 -0.012,637 0.071,638 -0.03,639 -0.017,640 -0.05,641 -0.018,642 -0.057,643 -0.052,644 -0.042,645 -0.229,646 -0.01,647 -0.146,648 -0.023,649 -0.219,650 -0.047,651 0.137,652 0.095,653 0.113,654 0.131,655 0.146,656 0.114,657 2.692,658 5.178,659 0.68,660 21.008,661 1.017,662 1.138,663 1.53,664 2.341,665 0.648,666 3.332,667 3.664,668 3.871,669 4.094,670 4.29,671 4.317,672 4.382,673 4.489,674 4.522,675 4.533,676 6.038,677 0.63,678 345.41,679 3.332,680 4.875,681 5.707,682 6.578,683 7.43,684 8.3,685 9.16,686 10.03,687 10.893,688 11.765,689 6.7,694 1,695 1,699 1,704 5,705 1,709 6,711 12,720 1,724 1,726 1,730 1,731 45,733 13,734 1,735 27,737 47,738 18,739 11,740 3,741 3,742 1,746 3,747 3,752 1,755 2,758 2,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 20,782 7,783 3,784 7,790 3,794 1,795 3,797 1,805 1,808 1,811 1,812 2,838 2,840 3,844 1,846 1,848 25,853 2,854 4,855 1,858 1,859 1,869 1,870 6.7,871 1,872 1,873 1,877 13.5,878 8.11,879 5.417,880 2.593,881 2.268,882 1.326,883 0.921,884 5.209,885 9.231,886 3.555,887 4.127,888 4.615,889 5.113,890 5.622,891 5.734,892 5.941,893 6.139,894 6.445,895 6.751,896 0.857,897 36,898 9.295,900 4.037,901 8.12,902 17.262,904 14.182,905 2.62,906 65.5,909 1,910 200.109,911 89.302,912 37.921,914 110.512,915 14.96,917 89.302,918 310.62,919 52.881,920 8.825,921 8.852,922 90.065,923 103.534,924 24.13,925 17.288,926 200.109,928 200.109,929 127.222,930 125.472,933 191.527,934 91.37,935 42.683,937 20.434,938 71.992,939 34.796,941 215.069,942 148.432,943 89.302,946 200.109,947 33.095,948 59.331,949 18.011,950 142.257,951 200.109,952 163.392,953 89.302,955 0.59,956 0.33,957 0.168,958 0.094,959 18,960 9,961 0.106,962 5,964 1,965 3.66,966 201.644,968 17,969 114.096,974 17.648,975 7.379,976 4.272,978 163.392,979 7.481,980 4.509,984 2.492,986 103.377,987 452.803,988 34,993 11.393,997 -1.025,999 45.752,1000 51.2,1001 0.308,1002 0.716,1003 0.885,1004 0.948,1005 0.948,1006 0.948,1007 4.804,1008 1.268,1009 5.707,1010 3.782,1011 4.344,1012 4.812,1013 1.939,1014 6.488,1015 4.26,1016 6.005,1017 1.039,1018 7.255,1019 3.422,1020 4.007,1021 4.663,1022 0.325,1023 7.302,1024 3.867,1025 7.305,1026 0.75,1027 8.894,1028 2.625,1029 5.922,1030 6.934,1031 2.337,1032 10.341,1033 5.762,1034 8.633,1035 0.674,1036 10.582,1037 1.761,1038 6.33,1039 7.519,1040 0.268,1041 11.918,1042 6.118,1043 9.988,1045 12.301,1046 1.656,1047 7.752,1048 9.331,1049 2.945,1050 14.471,1051 7.52,1052 11.36,1053 -0.514,1054 14.041,1056 8.5,1057 10.263,1058 0.188,1059 16.385,1060 8.221,1061 12.746,1062 -0.565,1063 15.796,1064 -1.242,1065 9.721,1066 11.873,1067 3.625,1068 18.748,1069 9.417,1070 3.017,1071 -0.626,1072 17.562,1073 -1.566,1074 10.635,1075 12.991,1076 0.125,1077 20.824,1078 10.288,1079 2.854,1080 9.57,1081 19.337,1082 -1.765,1083 11.77,1084 14.496,1085 4.331,1086 23.107,1087 11.394,1088 2.678,1089 8.709,1090 21.119,1091 3.954,1092 12.766,1093 15.718,1094 0.082,1095 25.263,1096 12.349,1097 2.311,1098 8.153,1099 22.907,1100 3.876,1101 13.865,1102 17.164,1103 5.048,1104 27.514,1105 13.416,1106 2.139,1107 6.631,1108 24.7,1109 3.099,1110 14.902,1111 18.447,1112 0.054,1113 29.71,1114 14.413,1115 2.042,1116 5.917,1117 26.497,1118 2.843,1119 15.988,1120 19.86,1121 5.769,1122 31.95,1123 15.464,1124 1.478,1125 5.763,1126 28.297,1127 2.743,1128 17.047,1129 21.177,1130 0.035,1131 34.167,1132 16.483,1133 6762,1134 12181,1135 17.512,1136 29.171,1137 40.729,1138 41.636,1139 41.993,1140 40.607,1141 40.501,1142 50.654,1143 5.788,1144 115.978,1145 38.723,1146 5.233,1147 5.586,1148 5.637,1149 5.038,1150 5.017,1151 6.954,1152 2.873,1153 16.043,1154 4.893,1155 14.387,1156 1.508,1157 1.542,1158 1.555,1159 1.504,1160 1.5,1161 1.876,1162 0.214,1163 4.295,1164 1.434,1165 4.003,1166 4.044,1167 3.953,1168 3.89,1169 8.201,1170 3.899,1171 3.909,1172 3.944,1173 3.859,1174 3.81,1175 7.475,1176 3.818,1177 3.747,1178 3.791,1179 3.644,1180 3.598,1181 6.449,1182 3.601,1183 3.366,1184 3.411,1185 3.296,1186 3.143,1187 6.351,1188 3.165,1189 3.186,1190 3.264,1191 3.097,1192 3.021,1193 4.841,1194 3.003,1195 3.147,1196 3.178,1197 2.979,1198 2.862,1199 4.652,1200 2.915,1201 2.921,1202 2.999,1203 2.801,1204 2.725,1205 4.16,1206 2.733,1207 2.876,1208 2.947,1209 2.664,1210 2.677,1211 3.948,1212 2.653,1213 0.16,1214 0.133,1215 0.232,1216 0.147,1217 0.112,1218 4.332,1219 0.146,1220 3.586,1221 0.053,1222 6.276,1223 0.354,1224 3.972,1225 0.107,1226 3.017,1227 3.954,1228 1.437,1229 9.57,1230 2.893,1231 1.925,1232 1.895,1233 2.027,1234 2.049,1235 1.163,1236 2.042,1237 1.855,1238 1.828,1239 1.941,1240 1.974,1241 1.155,1242 1.967,1243 1.56,1244 1.506,1245 1.813,1246 1.761,1247 1.081,1248 1.778,1249 1.408,1250 1.335,1251 1.643,1252 1.651,1253 0.917,1254 1.652,1255 1.27,1256 1.223,1257 1.539,1258 1.537,1259 0.651,1260 1.514,1261 1.202,1262 1.123,1263 1.481,1264 1.419,1265 0.583,1266 1.461,1267 0.904,1268 0.881,1269 1.07,1270 1.264,1271 0.128,1272 1.201,1273 0.801,1274 0.75,1275 1.027,1276 1.009,1277 0.075,1278 1.025,1279 4.007,1281 5.333,1282 2.398,1283 6.83,1284 4.595,1285 8.407,1286 6.555,1287 10.029,1289 1.795,1291 13.178,1294 19.016,1295 2.041,1296 3.159,1299 -0.418,1300 1.879,1305 28.333,1306 76.126,1307 176.895,1308 218.769,1309 234.379,1310 234.379,1311 234.379,1312 57.724,1313 6.962,1314 85.69,1315 85.69,1316 17,1317 12.308,1318 3.807,1319 3,1320 41.663,1321 89,1322 93,1323 0.225,1324 174.33,1325 308.04,1326 417.126,1327 8988,1328 2.2,1329 17.974,1330 0.719,1331 0.555,1332 17.104,1333 13.868,1334 11.919,1335 0.441,1336 0.3,1337 7.959,1338 11.363,1339 7.783,1340 6.412,1341 11.525,1342 8.095,1343 11.249,1344 0.296,1345 0.163,1346 10.615,1347 6.212,1348 8.777,1349 0.187,1350 0.09,1351 8.457,1352 4.248,1353 6.985,1354 0.118,1355 0.049,1356 6.65,1357 2.909,1358 5.521,1359 0.077,1360 0.024,1361 5.322,1362 1.757,1363 0.351,1364 75.548,1365 0.239,1366 24.212,1367 0.625,1368 130,1369 459.769,1370 146.607,1371 414.951,1372 543.98,1373 384,1374 150,1375 381.597,1376 165.137,1377 379.505,1378 551.32,1379 356,1380 4}
{0 CHEMBL471057,1 1.636,2 10.933,3 2.048,4 4.193,5 114.427,6 7.272,7 0.364,8 4.147,9 4.27,10 3.678,11 3.628,12 5.233,13 3.618,14 4.722,15 4.906,16 4.065,17 4.045,18 5.791,19 4.015,20 5.018,21 5.238,22 4.076,23 4.162,24 6.112,25 4.091,26 5.007,27 5.258,28 3.984,29 4.092,30 6.054,31 4.017,32 4.889,33 5.107,34 4.012,35 4.095,36 6.076,37 4.015,38 4.927,39 5.154,40 4.017,41 4.12,42 5.948,43 4.04,44 4.982,45 5.213,46 4.022,47 4.093,48 6.036,49 4.036,50 4.991,51 5.229,52 4.015,53 4.113,54 6.12,55 4.028,56 0.094,57 0.914,58 12.401,59 5.175,60 18.249,61 6.909,62 0.323,63 1.484,64 24.051,65 8.451,66 34.12,67 11.906,68 0.642,69 1.752,70 34.883,71 11.062,72 77.15,73 15.692,74 0.625,75 1.64,76 35.732,77 10.468,78 86.523,79 15.427,80 0.736,81 1.583,82 30.425,83 10.54,84 94.155,85 14.749,86 0.436,87 1.592,88 31.274,89 10.706,90 59.876,91 15.467,92 0.601,93 1.651,94 34.01,95 9.477,96 78.909,97 14.139,98 0.842,99 1.629,100 34.584,101 10.508,102 100.474,103 15.591,104 26,105 47,106 0.27,107 0.609,108 0.775,109 0.844,110 0.878,111 0.902,112 3.441,113 0.937,114 -3.6,115 -3.57,116 -3.4,119 38.6,120 1,121 2,125 5,127 2,142 5,143 2,144 2,146 1,147 1,158 1,172 5,174 2,175 7,180 4,183 4,187 6,190 3,192 4,195 3,199 3,204 1,207 3,211 4,212 2,215 3,217 3,220 5,224 3,227 2,229 3,232 6,237 6,242 2,245 5,250 7,253 4,254 1,255 1,258 3,263 6,267 1,271 3,275 1564,276 19.911,277 19.911,278 19.911,279 19.911,280 19.911,281 18.343,282 30.524,283 11.536,284 20.351,285 16.276,286 16.276,287 16.276,288 16.276,289 16.276,290 13.771,291 43.932,292 5.539,293 17.046,294 4.197,295 2.139,296 1.129,297 0.715,298 0.504,299 0.364,300 4.131,304 1,305 1,306 707,307 3.162,310 172.888,311 211.095,318 1.484,319 42.999,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 66.5,331 328,332 4.375,333 3.706,334 6.455,335 4.05,336 3.082,337 3.973,338 1.2,339 10.003,340 2.991,341 4.229,342 3.192,343 6.173,344 3.834,345 2.869,346 3.877,347 0.8,348 9.153,349 2.786,350 4.008,351 3.097,352 6.059,353 3.798,354 2.85,355 3.249,356 0.657,357 8.709,358 2.673,359 3.687,360 2.798,361 5.515,362 3.497,363 2.541,364 2.868,365 0.293,366 7.385,367 2.42,368 3.476,369 2.721,370 5.204,371 3.232,372 2.266,373 2.76,375 6.445,376 2.179,377 3.408,378 2.602,379 5.001,380 3.076,381 2.14,382 2.521,384 5.919,385 1.994,386 3.235,387 2.367,388 4.948,389 2.988,390 2.043,391 2.321,393 5.764,394 1.911,395 2.875,396 1.964,397 4.703,398 2.617,399 1.674,400 1.981,402 4.884,403 1.571,404 2.836,405 1.838,406 4.176,407 2.451,408 1.466,409 1.906,411 3.769,412 1.441,413 2.346,414 1.662,415 4.079,416 2.109,417 1.178,418 1.327,420 3.313,421 1.091,422 2.176,423 1.365,424 3.548,425 1.82,426 0.828,427 0.989,428 2.002,429 0.812,430 1.963,431 0.994,432 3.272,433 1.692,434 0.749,435 0.877,436 1.763,437 0.703,438 1.697,439 0.832,440 3.266,441 1.645,442 0.675,443 0.688,445 1.656,446 0.653,447 1.685,448 0.794,449 3.256,450 1.564,451 0.557,452 0.631,454 1.434,455 0.555,456 1.261,457 0.404,458 2.652,459 0.95,465 13.886,466 0.463,467 0.873,468 0.029,469 34.5,470 1.15,471 14.5,472 0.483,473 20,474 0.667,475 28.571,476 0.952,477 34.114,478 0.598,479 27.766,480 0.926,481 6.716,482 0.224,483 7.669,484 0.256,485 0.129,487 0.382,491 1,493 0.787,494 1.31,495 0.813,496 1.153,497 0.706,498 1.017,499 0.791,500 1.127,501 0.875,502 1.048,503 0.622,504 0.98,505 1.037,506 1.083,507 1.083,508 1.091,509 0.977,510 1.093,511 1.062,512 0.917,513 0.963,514 0.86,515 1.069,516 0.875,517 0.704,518 0.893,519 0.973,520 1.036,521 0.821,522 1.065,523 0.722,524 1.036,525 0.903,526 1.091,527 0.729,528 1.047,529 1.169,530 1.017,531 1.118,532 0.977,533 1.059,534 1.003,535 0.759,536 0.813,537 0.984,538 0.93,539 0.692,540 0.988,541 7.5,542 0.281,543 3.556,544 2.069,545 1.682,546 1.035,547 0.564,548 0.612,549 0.476,550 0.286,551 11583,552 32048,553 2.067,554 47.4,555 3,556 17,559 3,562 4,564 1.734,565 1.915,566 3.402,567 0.9,568 1,569 1,573 93.23,574 1.636,575 3.694,576 4.704,577 5.118,578 5.328,579 5.469,580 2.818,581 4.707,582 4.877,583 3.567,584 1551.76,585 8.541,586 21797.8,588 1,590 1,591 332.475,592 1.475,593 4.828,594 0.227,595 0.009,596 0.076,597 0.047,598 0.041,599 0.025,600 0.013,601 0.015,602 0.012,603 0.008,604 0.472,605 0.33,606 1,607 0.594,608 153.471,609 -0.083,610 -0.157,611 0.028,612 -0.008,613 -0.079,614 0.024,615 -0.03,616 -0.057,617 0.023,618 -0.009,619 0.015,620 0.015,621 -0.077,622 -0.084,623 -0.121,624 -0.106,625 -0.07,626 -0.123,627 -0.135,628 -0.013,629 0.018,630 0.084,631 -0.116,632 0.089,633 0.17,634 0.143,635 -0.032,636 -0.016,637 0.078,638 -0.068,639 0.006,640 -0.107,641 0.019,642 -0.078,643 -0.015,644 -0.038,645 -0.201,646 -0.042,647 -0.143,648 -0.046,649 -0.138,650 -0.066,651 0.11,652 0.092,653 -0.024,654 0.023,655 0.116,656 -0.021,657 1.952,658 5.999,659 0.733,660 29.4,661 1.009,662 1.139,663 2.365,664 5.594,665 0.64,666 3.526,667 3.871,668 4.111,669 4.357,670 4.522,671 4.595,672 4.7,673 4.875,674 5.004,675 5.094,676 6.658,677 0.613,678 414.53,679 3.526,680 5.081,681 5.927,682 6.806,683 7.667,684 8.547,685 9.415,686 10.295,687 11.167,688 12.048,689 7,694 1,695 1,696 1,699 1,704 5,705 1,709 6,711 12,719 1,724 1,726 1,730 1,731 57,733 13,734 1,735 33,737 60,738 22,739 11,740 3,741 3,742 1,746 4,747 4,752 1,755 4,758 4,761 12,762 10,766 1,771 1,775 1,778 1,779 1,781 27,782 8,783 3,784 8,790 4,794 1,795 3,797 2,805 1,808 2,811 2,812 2,838 2,840 4,844 1,846 1,848 30,853 2,854 7,855 1,858 2,859 2,869 1,870 5.3,871 2,873 1,877 15.667,878 10.143,879 6.444,880 3.443,881 2.18,882 1.291,883 0.928,884 6.23,885 9.665,886 3.714,887 4.263,888 4.754,889 5.238,890 5.722,891 5.883,892 6.129,893 6.411,894 6.728,895 7.03,896 1,897 44,898 11.23,900 4.943,901 7.944,902 21.284,904 18.003,905 2.444,906 73.333,910 282.506,911 99.842,912 41.045,914 110.512,915 14.96,917 99.842,918 393.018,919 56.005,920 8.825,921 18.722,922 132.748,923 64.646,924 24.13,925 17.288,926 282.506,928 282.506,929 140.887,930 125.472,933 250.382,934 72.229,935 85.367,937 30.304,938 75.787,939 34.796,941 297.467,942 151.557,943 99.842,946 282.506,947 43.636,948 62.455,949 18.011,950 142.257,951 282.506,952 166.517,953 99.842,955 0.592,956 0.338,957 0.176,958 0.093,959 23,960 11,961 0.083,962 5,964 1,965 4.109,966 268.987,968 22,969 147.207,974 21.041,975 8.883,976 4.938,978 166.517,979 8.069,980 4.694,984 3.159,986 103.377,987 548.865,988 40,993 12.999,997 -0.13,999 57.505,1000 64.944,1001 0.28,1002 0.633,1003 0.806,1004 0.877,1005 0.914,1006 0.938,1007 4.984,1008 1.674,1009 5.927,1010 5.764,1011 4.554,1012 4.949,1013 1.741,1014 6.723,1015 4.465,1016 6.169,1017 1.466,1018 7.482,1019 4.884,1020 4.205,1021 4.771,1022 0.57,1023 7.551,1024 4.055,1025 7.464,1026 1.178,1027 9.127,1028 3.769,1029 6.146,1030 7.029,1031 1.68,1032 10.621,1033 5.976,1034 8.787,1035 0.828,1036 10.824,1037 3.313,1038 6.567,1039 7.612,1040 0.801,1041 12.233,1042 6.346,1043 10.14,1044 0.749,1045 12.553,1046 2.002,1047 7.996,1048 9.403,1049 1.812,1050 14.815,1051 7.75,1052 11.511,1053 0.675,1054 14.305,1055 1.763,1056 8.764,1057 10.34,1058 1.074,1059 16.77,1060 8.476,1061 12.898,1062 0.557,1063 16.074,1064 1.656,1065 9.99,1066 11.934,1067 2.025,1068 19.169,1069 9.675,1070 3.082,1072 17.855,1073 1.434,1074 10.925,1075 13.057,1076 1.404,1077 21.287,1078 10.573,1079 2.869,1080 10.003,1081 19.647,1083 12.068,1084 14.552,1085 2.278,1086 23.611,1087 11.687,1088 2.85,1089 9.153,1090 21.447,1091 3.973,1092 13.083,1093 15.779,1094 1.768,1095 25.806,1096 12.669,1097 2.541,1098 8.709,1099 23.255,1100 3.877,1101 14.193,1102 17.22,1103 2.557,1104 28.1,1105 13.75,1106 2.266,1107 7.385,1108 25.068,1109 3.249,1110 15.248,1111 18.506,1112 2.15,1113 30.336,1114 14.774,1115 2.14,1116 6.445,1117 26.886,1118 2.868,1119 16.347,1120 19.917,1121 2.854,1122 32.619,1123 15.843,1124 2.043,1125 5.919,1126 28.708,1127 2.76,1128 17.422,1129 21.237,1130 2.538,1131 34.876,1132 16.889,1133 11073,1134 18517,1135 21.789,1136 36.461,1137 50.153,1138 51.412,1139 51.555,1140 50.019,1141 49.841,1142 59.936,1143 5.9,1144 144.4,1145 47.561,1146 5.314,1147 5.706,1148 5.816,1149 5.117,1150 5.082,1151 6.973,1152 2.293,1153 16.964,1154 4.991,1155 16.276,1156 1.52,1157 1.558,1158 1.562,1159 1.516,1160 1.51,1161 1.816,1162 0.179,1163 4.376,1164 1.441,1165 4.021,1166 4.064,1167 3.969,1168 3.901,1169 8.201,1170 3.911,1171 3.915,1172 3.949,1173 3.864,1174 3.82,1175 7.428,1176 3.827,1177 3.831,1178 3.889,1179 3.726,1180 3.649,1181 6.452,1182 3.658,1183 3.721,1184 3.768,1185 3.613,1186 3.58,1187 6.447,1188 3.58,1189 3.329,1190 3.39,1191 3.237,1192 3.133,1193 4.847,1194 3.146,1195 3.18,1196 3.263,1197 3.068,1198 3.021,1199 4.653,1200 3.002,1201 3.116,1202 3.153,1203 2.977,1204 2.857,1205 4.169,1206 2.899,1207 2.923,1208 3.001,1209 2.802,1210 2.725,1211 4.153,1212 2.733,1213 0.133,1214 0.112,1215 0.196,1216 0.123,1217 0.093,1218 4.375,1219 0.12,1220 3.706,1221 0.036,1222 6.455,1223 0.303,1224 4.05,1225 0.091,1226 3.082,1227 3.973,1228 1.2,1229 10.003,1230 2.991,1231 1.926,1232 1.896,1233 2.028,1234 2.053,1235 1.167,1236 2.044,1237 1.862,1238 1.834,1239 1.949,1240 1.98,1241 1.158,1242 1.974,1243 1.56,1244 1.506,1245 1.814,1246 1.761,1247 1.155,1248 1.778,1249 1.56,1250 1.506,1251 1.813,1252 1.761,1253 1.095,1254 1.778,1255 1.472,1256 1.406,1257 1.677,1258 1.738,1259 0.961,1260 1.72,1261 1.399,1262 1.325,1263 1.637,1264 1.635,1265 0.905,1266 1.641,1267 1.205,1268 1.134,1269 1.537,1270 1.436,1271 0.643,1272 1.466,1273 1.197,1274 1.117,1275 1.453,1276 1.419,1277 0.583,1278 1.443,1279 4.205,1281 5.541,1282 3.045,1283 7.045,1284 5.283,1285 8.626,1286 7.248,1287 10.251,1289 1.828,1291 13.359,1294 19.683,1295 3.652,1296 3.264,1299 -0.88,1300 3.636,1305 34.935,1306 93.23,1307 210.545,1308 268.11,1309 291.72,1310 303.72,1311 311.72,1312 71.443,1313 7.484,1314 88.93,1315 88.93,1316 22,1317 12.585,1318 3.807,1319 3,1320 46.729,1321 118,1322 128,1323 0.189,1324 212.101,1325 375.88,1326 509.286,1327 16920,1328 1.8,1329 21.25,1330 0.708,1331 0.567,1332 20.38,1333 17.013,1334 14.385,1335 0.436,1336 0.312,1337 10.135,1338 13.741,1339 9.928,1340 8.134,1341 13.991,1342 10.302,1343 13.542,1344 0.288,1345 0.172,1346 12.908,1347 8.1,1348 11.057,1349 0.184,1350 0.095,1351 10.737,1352 5.698,1353 8.983,1354 0.117,1355 0.052,1356 8.648,1357 4.018,1358 6.821,1359 0.075,1360 0.026,1361 6.623,1362 2.322,1363 0.294,1364 90.921,1365 0.214,1366 28.176,1367 0.529,1368 160,1369 509.414,1370 178.912,1371 461.437,1372 613.14,1373 430,1374 187,1375 434.656,1376 205.854,1377 432.287,1378 633.51,1379 407,1380 4}
{0 CHEMBL472084,1 1.735,2 10.231,3 2.401,4 5.766,5 94.024,6 7.857,7 0.429,8 3.949,9 4.054,10 3.542,11 3.397,12 5.148,13 3.416,14 4.479,15 4.639,16 3.87,17 3.751,18 5.65,19 3.759,20 4.691,21 4.873,22 3.941,23 3.882,24 5.938,25 3.864,26 4.719,27 4.922,28 3.822,29 3.854,30 5.821,31 3.807,32 4.709,33 4.931,34 3.836,35 3.832,36 5.873,37 3.774,38 4.672,39 4.885,40 3.822,41 3.808,42 5.787,43 3.757,44 4.695,45 4.9,46 3.762,47 3.736,48 5.869,49 3.712,50 4.645,51 4.861,52 3.701,53 3.639,54 5.886,55 3.611,56 0.185,57 0.72,58 8.925,59 4.141,60 17.035,61 5.005,62 0.493,63 1.102,64 18.022,65 6.469,66 35.785,67 8.082,68 0.734,69 1.311,70 23.422,71 7.913,72 72.473,73 10.149,74 0.62,75 1.275,76 24.821,77 8.276,78 61.853,79 11.004,80 0.84,81 1.227,82 25.424,83 8.312,84 75.835,85 11.384,86 0.675,87 1.139,88 23.96,89 8.04,90 65.936,91 11.203,92 0.828,93 1.135,94 25.449,95 7.33,96 90.165,97 9.599,98 1.007,99 1.029,100 25.646,101 7.011,102 95.402,103 9.415,104 19,105 38,106 0.3,107 0.672,108 0.811,109 0.855,110 0.855,111 0.855,112 3.304,113 0.882,114 -3.51,115 -3.49,116 -3.33,119 39.1,120 1,125 5,142 5,143 2,144 2,146 1,147 1,158 1,169 1,172 5,174 1,175 6,178 1,180 1,183 4,186 2,187 8,190 1,192 3,195 3,199 2,204 2,207 1,211 4,212 4,215 2,220 2,223 1,224 4,227 3,232 5,237 3,240 1,245 5,249 2,250 5,253 1,255 2,258 3,263 3,266 1,268 5,275 1068,276 17.524,277 17.524,278 17.524,279 17.524,280 17.524,281 15.932,282 24.749,283 10.405,284 18.075,285 13.754,286 13.754,287 13.754,288 13.754,289 13.754,290 11.198,291 30.664,292 4.892,293 14.572,294 3.788,295 1.637,296 0.834,297 0.582,298 0.582,299 0.582,300 3.985,303 1,304 1,305 1,306 561,307 3.082,311 266.929,318 1.385,319 37.174,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 59,331 266,332 4.336,333 3.848,334 6.275,335 3.969,336 3.005,337 3.958,338 1.497,339 9.554,340 2.914,341 4.227,342 3.225,343 6.059,344 3.815,345 2.852,346 3.876,347 1.151,348 8.708,349 2.743,350 3.848,351 3.158,352 5.931,353 3.59,354 2.63,355 3.119,356 0.86,357 8.273,358 2.501,359 3.576,360 3.05,361 5.269,362 3.26,363 2.305,364 2.829,365 0.8,366 6.673,367 2.194,368 3.441,369 2.81,370 4.955,371 3.022,372 2.099,373 2.734,375 5.798,376 1.914,377 2.95,378 2.603,379 4.43,380 2.688,381 1.768,382 2.015,384 4.419,385 1.622,386 2.842,387 2.283,388 4.17,389 2.447,390 1.476,391 1.962,393 3.761,394 1.427,395 2.714,396 1.936,397 4.032,398 2.315,399 1.341,400 1.725,402 3.284,403 1.293,404 2.201,405 1.728,406 3.491,407 1.952,408 1.051,409 1.175,411 2.582,412 0.946,413 2,414 1.373,415 3.269,416 1.941,417 1,418 1,420 2.136,421 0.927,422 1.964,423 1.256,424 3.247,425 1.643,426 0.75,427 0.882,428 1.76,429 0.661,430 1.471,431 1.126,432 2.658,433 1.234,434 0.188,435 0.223,436 0.251,437 0.195,438 1.261,439 0.505,440 2.622,441 0.932,447 0.828,448 0.026,449 2.442,450 0.461,451 -0.489,452 -0.565,454 -1.242,455 -0.459,456 0.803,457 -0.046,458 2.359,459 0.431,460 -0.514,461 -0.621,463 -1.259,464 -0.473,465 11.819,466 0.455,467 0.609,468 0.023,469 31.75,470 1.221,471 14.5,472 0.558,473 17.25,474 0.663,475 20.868,476 0.803,477 29.581,478 0.643,479 24.938,480 0.959,481 6.729,482 0.259,483 5.834,484 0.224,485 0.123,487 0.33,491 1,493 0.734,494 1.22,495 0.73,496 1.172,497 0.629,498 0.995,499 0.993,500 1.012,501 0.872,502 0.95,503 0.64,504 0.887,505 0.984,506 1.061,507 1.023,508 1.038,509 0.787,510 1.033,511 0.984,512 1.109,513 1.045,514 1.132,515 0.867,516 1.112,517 0.676,518 0.845,519 0.918,520 0.982,521 0.789,522 1.012,523 0.625,524 0.892,525 0.831,526 1.046,527 0.626,528 1.013,529 1.235,530 0.927,531 1.144,532 0.973,533 1.217,534 1.007,535 1.132,536 0.693,537 0.996,538 0.732,539 1.122,540 0.814,541 5.5,542 0.144,543 2.889,544 1.313,545 1.338,546 0.972,547 0.367,548 0.431,549 0.361,550 0.181,551 7602,552 25391,553 2.037,554 43.5,555 3,556 15,559 2,564 1.695,565 1.902,566 3.321,567 0.327,568 1,569 1,573 79.832,574 1.735,575 3.886,576 4.69,577 4.942,578 4.942,579 4.942,580 2.671,581 4.21,582 4.672,583 3.465,584 1125.98,585 8.117,586 14253.7,588 1,590 1,591 254.084,592 1.42,593 4.628,594 0.196,595 0.008,596 0.076,597 0.034,598 0.039,599 0.029,600 0.011,601 0.014,602 0.012,603 0.007,604 0.426,605 0.33,606 1,607 0.958,608 127.038,609 -0.021,610 -0.119,611 0.037,612 -0.054,613 -0.039,614 -0.006,615 -0.113,616 -0.011,617 0.011,618 0.067,619 -0.003,620 0.073,621 -0.054,622 -0.022,623 -0.103,624 -0.039,625 0.04,626 -0.073,627 -0.138,628 -0.177,629 -0.115,630 -0.139,631 -0.083,632 -0.124,633 0.154,634 0.139,635 0.03,636 -0.004,637 0.03,638 -0.023,639 0.122,640 -0.068,641 0.095,642 -0.06,643 0.058,644 -0.008,645 -0.183,646 -0.023,647 -0.157,648 -0.038,649 -0.178,650 -0.069,651 -0.014,652 0.102,653 0.035,654 0.186,655 -0.039,656 0.132,657 2.291,658 5.199,659 0.692,660 22.84,661 1.023,662 1.139,663 2.285,664 5.219,665 0.644,666 3.367,667 3.664,668 3.892,669 4.094,670 4.331,671 4.344,672 4.419,673 4.511,674 4.575,675 4.615,676 6.153,677 0.631,678 361.41,679 3.367,680 4.89,681 5.72,682 6.578,683 7.426,684 8.288,685 9.143,686 10.008,687 10.866,688 11.732,689 6.5,695 1,696 1,699 1,704 5,705 1,709 6,711 12,726 1,729 1,730 1,731 46,733 13,734 1,735 28,737 48,738 18,739 11,740 3,741 3,742 1,746 3,747 3,752 1,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 20,782 8,783 2,784 8,790 3,794 1,795 4,805 1,812 3,834 1,838 1,839 1,840 3,844 1,846 1,848 26,853 1,854 5,855 1,856 2,859 1,869 1,870 8.7,871 1,873 1,874 1,875 1,877 13.667,878 8.41,879 5.833,880 2.609,881 2.255,882 1.321,883 0.936,884 6.038,885 9.284,886 3.584,887 4.127,888 4.635,889 5.119,890 5.638,891 5.753,892 5.96,893 6.162,894 6.449,895 6.771,896 0.857,897 39,898 9.624,900 4.075,901 8.064,902 17.873,904 14.23,905 2.564,906 66.667,909 1,910 211.88,911 104.72,912 34.383,914 89.95,915 14.96,917 104.72,918 301.83,919 49.343,920 8.825,921 32.461,922 90.187,923 57.635,924 37.617,925 17.288,926 211.88,928 211.88,929 139.102,930 104.91,933 226.84,934 36.145,935 53.806,937 44.043,938 78.274,939 16.786,941 226.84,942 124.333,943 104.72,946 211.88,947 48.513,948 59.331,949 14.473,950 121.696,951 211.88,952 139.293,953 104.72,955 0.575,956 0.334,957 0.171,958 0.096,959 17,960 8,961 0.104,962 5,964 1,965 3.763,966 211.617,968 18,969 118.211,974 18.579,975 8.449,976 4.709,978 139.293,979 7.428,980 4.546,984 2.295,986 57.278,987 455.893,988 35,993 11.852,997 -0.624,999 47.08,1000 52.409,1001 0.314,1002 0.704,1003 0.849,1004 0.895,1005 0.895,1006 0.895,1007 4.812,1008 1.341,1009 5.694,1010 3.761,1011 4.344,1012 4.812,1013 2.358,1014 6.46,1015 4.24,1016 5.993,1017 1.051,1018 7.229,1019 3.284,1020 3.892,1021 4.605,1022 0.325,1023 7.261,1024 3.764,1025 7.284,1026 1,1027 8.861,1028 2.582,1029 5.9,1030 6.93,1031 2.779,1032 10.317,1033 5.714,1034 8.607,1035 0.75,1036 10.547,1037 2.136,1038 6.236,1039 7.497,1040 0.268,1041 11.905,1042 6.034,1043 9.961,1044 0.188,1045 12.268,1046 1.76,1047 7.716,1048 9.33,1049 3.374,1050 14.462,1051 7.461,1052 11.334,1054 14.012,1055 0.251,1056 8.423,1057 10.259,1058 0.188,1059 16.386,1060 8.152,1061 12.723,1062 -0.489,1063 15.772,1065 9.675,1066 11.876,1067 4.065,1068 18.749,1069 9.36,1070 3.005,1071 -0.514,1072 17.543,1073 -1.242,1074 10.567,1075 12.994,1076 0.125,1077 20.83,1078 10.23,1079 2.852,1080 9.554,1081 19.324,1082 -1.259,1083 11.717,1084 14.501,1085 4.808,1086 23.112,1087 11.342,1088 2.63,1089 8.708,1090 21.111,1091 3.958,1092 12.701,1093 15.725,1094 0.082,1095 25.269,1096 12.3,1097 2.305,1098 8.273,1099 22.904,1100 3.876,1101 13.807,1102 17.172,1103 5.579,1104 27.518,1105 13.372,1106 2.099,1107 6.673,1108 24.701,1109 3.119,1110 14.837,1111 18.456,1112 0.054,1113 29.713,1114 14.374,1115 1.768,1116 5.798,1117 26.502,1118 2.829,1119 15.924,1120 19.87,1121 6.366,1122 31.95,1123 15.43,1124 1.476,1125 4.419,1126 28.305,1127 2.734,1128 16.978,1129 21.188,1130 0.035,1131 34.165,1132 16.455,1133 7470,1134 13763,1135 18.493,1136 29.625,1137 41.161,1138 45.258,1139 42.538,1140 41.036,1141 40.929,1142 50.996,1143 8.615,1144 114.398,1145 38.675,1146 5.336,1147 5.848,1148 6.077,1149 5.072,1150 5.005,1151 6.958,1152 2.993,1153 15.934,1154 4.914,1155 13.22,1156 1.47,1157 1.616,1158 1.519,1159 1.466,1160 1.462,1161 1.821,1162 0.308,1163 4.086,1164 1.381,1165 3.99,1166 4.022,1167 3.945,1168 3.874,1169 8.201,1170 3.885,1171 3.899,1172 3.927,1173 3.853,1174 3.803,1175 7.432,1176 3.812,1177 3.701,1178 3.747,1179 3.591,1180 3.494,1181 6.493,1182 3.508,1183 3.395,1184 3.43,1185 3.335,1186 3.121,1187 4.894,1188 3.16,1189 3.192,1190 3.266,1191 3.096,1192 3.022,1193 4.727,1194 3.006,1195 3.156,1196 3.208,1197 2.978,1198 2.941,1199 4.586,1200 2.928,1201 3.111,1202 3.206,1203 2.866,1204 2.887,1205 4.19,1206 2.91,1207 2.889,1208 2.94,1209 2.796,1210 2.705,1211 3.868,1212 2.716,1213 0.155,1214 0.137,1215 0.224,1216 0.142,1217 0.107,1218 4.336,1219 0.141,1220 3.848,1221 0.053,1222 6.275,1223 0.341,1224 3.969,1225 0.104,1226 3.005,1227 3.958,1228 1.497,1229 9.554,1230 2.914,1231 1.912,1232 1.888,1233 2.011,1234 2.059,1235 1.219,1236 2.042,1237 1.868,1238 1.839,1239 1.976,1240 1.989,1241 1.114,1242 1.987,1243 1.641,1244 1.59,1245 1.843,1246 1.864,1247 1.018,1248 1.857,1249 1.252,1250 1.217,1251 1.536,1252 1.579,1253 0.825,1254 1.521,1255 1.202,1256 1.124,1257 1.513,1258 1.419,1259 0.624,1260 1.463,1261 1.153,1262 1.064,1263 1.451,1264 1.376,1265 0.584,1266 1.429,1267 1.035,1268 0.991,1269 1.221,1270 1.364,1271 0.269,1272 1.338,1273 0.818,1274 0.773,1275 1.07,1276 1.103,1277 0.113,1278 1.088,1279 4.043,1281 5.342,1283 6.838,1285 8.42,1287 10.045,1289 1.751,1291 13.199,1294 8.93,1295 2.594,1296 1.635,1297 11.056,1300 2.004,1305 29.048,1306 79.832,1307 178.759,1308 215.719,1309 227.329,1310 227.329,1311 227.329,1312 56.188,1313 7.028,1314 83.92,1315 83.92,1316 18,1317 12.28,1318 3.807,1319 3,1320 44.137,1321 94,1322 100,1323 0.225,1324 178.327,1325 316.83,1326 426.877,1327 9827,1328 2.2,1329 18.518,1330 0.712,1331 0.553,1332 17.648,1333 14.367,1334 12.563,1335 0.449,1336 0.294,1337 8.05,1338 11.785,1339 7.891,1340 6.489,1341 12.169,1342 8.236,1343 11.11,1344 0.292,1345 0.156,1346 10.476,1347 5.944,1348 9.198,1349 0.192,1350 0.085,1351 8.878,1352 4.076,1353 7.165,1354 0.121,1355 0.046,1356 6.83,1357 2.722,1358 5.811,1359 0.077,1360 0.024,1361 5.612,1362 1.778,1363 0.35,1364 80.977,1365 0.233,1366 25.037,1367 0.626,1368 132,1369 517.09,1370 151.817,1371 457.064,1372 599.08,1373 426,1374 152,1375 418.473,1376 171.592,1377 411.648,1378 596.83,1379 385,1380 5}
{0 CHEMBL472085,1 1.692,2 10.16,3 2.758,4 7.606,5 92.26,6 7.676,7 0.444,8 3.916,9 4.029,10 3.495,11 3.39,12 5.07,13 3.398,14 4.458,15 4.624,16 3.839,17 3.743,18 5.64,19 3.741,20 4.666,21 4.853,22 3.881,23 3.869,24 5.827,25 3.84,26 4.692,27 4.903,28 3.761,29 3.839,30 5.758,31 3.776,32 4.678,33 4.913,34 3.772,35 3.811,36 5.812,37 3.735,38 4.625,39 4.844,40 3.723,41 3.781,42 5.707,43 3.714,44 4.647,45 4.867,46 3.648,47 3.71,48 5.762,49 3.659,50 4.57,51 4.807,52 3.584,53 3.597,54 5.783,55 3.535,56 0.096,57 0.711,58 8.877,59 4.068,60 12.6,61 5.043,62 0.398,63 1.091,64 18.021,65 6.511,66 37.859,67 8.279,68 0.578,69 1.3,70 23.206,71 7.81,72 52.453,73 10.044,74 0.493,75 1.266,76 24.438,77 8.231,78 54.44,79 11.07,80 0.735,81 1.217,82 24.995,83 8.255,84 68.19,85 11.54,86 0.521,87 1.115,88 22.964,89 7.783,90 59.858,91 10.85,92 0.599,93 1.112,94 24.551,95 7.392,96 75.423,97 9.831,98 0.815,99 1.002,100 23.842,101 6.856,102 81.529,103 9.578,104 18,105 37,106 0.294,107 0.656,108 0.798,109 0.843,110 0.843,111 0.843,112 3.267,113 0.895,114 -3.46,115 -3.44,116 -3.29,119 40,120 1,125 5,142 5,143 2,144 2,146 1,147 1,158 1,163 1,164 1,165 1,172 5,174 1,175 6,177 1,178 1,180 1,183 4,185 1,186 2,187 8,192 2,195 3,197 2,199 2,207 1,211 4,212 4,214 2,215 2,220 2,223 1,224 4,226 1,227 1,232 5,237 3,245 5,249 2,250 5,252 1,253 1,255 2,258 3,260 2,263 3,268 3,273 3,275 947,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 15.009,282 23.391,283 9.903,284 17.136,285 13.333,286 13.333,287 13.333,288 13.333,289 13.333,290 10.784,291 30.481,292 4.737,293 14.123,294 3.8,295 1.718,296 0.897,297 0.639,298 0.639,299 0.639,300 3.947,303 1,304 1,305 1,306 538,307 2.915,311 254.247,318 1.366,319 33.833,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 56,331 254,332 4.327,333 3.514,334 6.258,335 3.957,336 2.996,337 3.953,338 1.151,339 9.499,340 2.896,341 4.226,342 3.197,343 6.059,344 3.815,345 2.852,346 3.876,347 0.98,348 8.708,349 2.743,350 3.819,351 3.12,352 5.86,353 3.561,354 2.599,355 3.086,356 0.86,357 8.039,358 2.476,359 3.567,360 2.812,361 5.244,362 3.24,363 2.282,364 2.827,365 0.8,366 6.567,367 2.177,368 3.438,369 2.607,370 4.954,371 3.019,372 2.094,373 2.73,375 5.794,376 1.913,377 2.938,378 2.283,379 4.411,380 2.679,381 1.762,382 2.002,384 4.376,385 1.61,386 2.842,387 1.939,388 4.169,389 2.444,390 1.472,391 1.958,393 3.759,394 1.426,395 2.645,396 1.729,397 3.728,398 2.179,399 1.206,400 1.604,402 2.832,403 1.158,404 2.2,405 1.373,406 3.485,407 1.952,408 1,409 1.17,411 2.492,412 0.946,413 2,414 1.256,415 3.267,416 1.919,417 1,418 1,420 2.136,421 0.908,422 1.963,423 1.126,424 3.247,425 1.64,426 0.747,427 0.881,428 1.756,429 0.658,430 1.262,431 0.506,432 2.649,433 0.932,438 0.83,439 0.134,440 2.528,441 0.461,442 -0.487,443 -0.564,445 -1.242,446 -0.457,447 0.803,448 0.026,449 2.359,450 0.431,451 -0.514,452 -0.621,454 -1.257,455 -0.472,456 0.762,457 -0.304,458 2.171,459 0.324,460 -0.624,461 -0.8,463 -1.759,464 -0.588,465 11.486,466 0.459,467 0.647,468 0.026,469 31,470 1.24,471 14.5,472 0.58,473 16.5,474 0.66,475 19.803,476 0.792,477 28.114,478 0.625,479 23.536,480 0.941,481 6.454,482 0.258,483 5.571,484 0.223,485 0.132,487 0.34,491 1,493 0.746,494 1.227,495 0.742,496 1.184,497 0.632,498 0.998,499 1,500 1.006,501 0.851,502 0.951,503 0.569,504 0.88,505 1.136,506 1.052,507 1.088,508 1.028,509 0.954,510 1.036,511 1.006,512 1.099,513 1.066,514 1.127,515 0.887,516 1.117,517 0.606,518 0.821,519 0.892,520 0.955,521 0.715,522 0.987,523 0.703,524 0.887,525 0.905,526 1.038,527 0.685,528 1.026,529 1.269,530 0.922,531 1.136,532 0.97,533 1.272,534 1.003,535 0.95,536 0.689,537 0.919,538 0.729,539 0.98,540 0.807,541 5.5,542 0.136,543 2.667,544 1.313,545 1.338,546 0.944,547 0.327,548 0.431,549 0.348,550 0.146,551 6929,552 21722,553 2.038,554 44.4,555 3,556 15,559 2,564 1.683,565 1.899,566 3.305,567 0.312,568 1,569 1,571 1,573 76.126,574 1.692,575 3.774,576 4.595,577 4.853,578 4.853,579 4.853,580 2.663,581 4.103,582 4.617,583 3.448,584 1034.37,585 7.997,586 12683,588 1,590 1,591 247.133,592 1.44,593 4.569,594 0.204,595 0.009,596 0.072,597 0.035,598 0.042,599 0.03,600 0.011,601 0.015,602 0.013,603 0.007,604 0.438,605 0.33,606 1,607 0.795,608 120.605,609 -0.061,610 -0.137,611 0.041,612 -0.082,613 -0.069,614 -0.005,615 -0.078,616 -0.024,617 0.05,618 0.059,619 0.076,620 0.079,621 -0.135,622 -0.021,623 -0.153,624 -0.042,625 -0.076,626 -0.089,627 -0.135,628 -0.176,629 -0.129,630 -0.143,631 -0.099,632 -0.137,633 0.218,634 0.151,635 0.064,636 0.015,637 0.087,638 -0.001,639 0.054,640 -0.066,641 0.022,642 -0.061,643 0.023,644 -0.032,645 -0.219,646 -0.03,647 -0.145,648 -0.028,649 -0.209,650 -0.054,651 0.101,652 0.112,653 0.102,654 0.197,655 0.054,656 0.153,657 2.184,658 5.176,659 0.72,660 21.085,661 1.017,662 1.138,663 2.232,664 4.98,665 0.648,666 3.332,667 3.638,668 3.85,669 4.06,670 4.304,671 4.29,672 4.357,673 4.431,674 4.5,675 4.533,676 6.04,677 0.63,678 345.41,679 3.332,680 4.86,681 5.687,682 6.547,683 7.393,684 8.256,685 9.109,686 9.973,687 10.83,688 11.695,689 6.7,695 1,696 1,699 1,704 5,705 1,709 6,711 12,717 1,726 1,729 1,730 1,731 45,733 13,734 1,735 27,737 47,738 18,739 11,740 3,741 3,742 1,746 3,747 3,752 1,761 12,762 6,766 1,771 1,775 1,777 1,778 1,779 1,781 20,782 7,783 2,784 7,790 3,794 1,795 3,805 1,812 3,839 1,840 3,844 1,846 1,848 25,849 1,854 5,856 2,859 1,869 1,870 6.7,873 1,874 1,875 1,877 13.167,878 8.293,879 5.5,880 2.58,881 2.268,882 1.326,883 0.967,884 5.512,885 9.231,886 3.555,887 4.111,888 4.605,889 5.101,890 5.622,891 5.716,892 5.915,893 6.092,894 6.406,895 6.732,896 0.857,897 37,898 9.262,900 3.918,901 7.987,902 17.332,904 13.869,905 2.487,906 62.167,909 1,910 211.88,911 104.72,912 52.807,914 47.145,915 14.96,917 104.72,918 259.025,919 67.767,920 8.825,921 50.886,922 47.381,923 57.635,924 37.617,925 17.288,926 211.88,928 211.88,929 157.527,930 62.105,933 226.84,934 36.145,935 11,937 62.468,938 78.274,939 16.786,941 226.84,942 99.952,943 104.72,946 211.88,947 48.513,948 59.331,950 111.788,951 211.88,952 114.912,953 104.72,955 0.581,956 0.328,957 0.169,958 0.098,959 17,960 8,961 0.106,962 5,964 1,965 3.687,966 200.46,968 18,969 112.096,974 17.648,975 7.809,976 4.469,978 114.912,979 7.618,980 4.565,984 2.592,986 32.897,987 431.512,988 34,993 11.623,997 -0.517,999 45.752,1000 51.2,1001 0.308,1002 0.687,1003 0.837,1004 0.884,1005 0.884,1006 0.884,1007 4.787,1008 1.206,1009 5.666,1010 3.759,1011 4.317,1012 4.796,1013 2.08,1014 6.431,1015 4.214,1016 5.975,1017 1,1018 7.201,1019 2.832,1020 3.892,1021 4.605,1022 0.325,1023 7.226,1024 3.764,1025 7.268,1026 1,1027 8.832,1028 2.492,1029 5.872,1030 6.916,1031 2.068,1032 10.277,1033 5.685,1034 8.591,1035 0.747,1036 10.517,1037 2.136,1038 6.217,1039 7.486,1040 0.268,1041 11.855,1042 6.01,1043 9.944,1045 12.236,1046 1.756,1047 7.688,1048 9.318,1049 2.139,1050 14.409,1051 7.429,1052 11.316,1053 -0.487,1054 13.977,1056 8.395,1057 10.246,1058 0.188,1059 16.326,1060 8.116,1061 12.704,1062 -0.514,1063 15.735,1064 -1.242,1065 9.644,1066 11.864,1067 2.264,1068 18.684,1069 9.321,1070 2.996,1071 -0.624,1072 17.504,1073 -1.257,1074 10.534,1075 12.981,1076 0.125,1077 20.76,1078 10.185,1079 2.852,1080 9.499,1081 19.282,1082 -1.759,1083 11.683,1084 14.49,1085 2.427,1086 23.037,1087 11.295,1088 2.599,1089 8.708,1090 21.066,1091 3.953,1092 12.664,1093 15.712,1094 0.082,1095 25.19,1096 12.247,1097 2.282,1098 8.039,1099 22.856,1100 3.876,1101 13.769,1102 17.16,1103 2.621,1104 27.435,1105 13.316,1106 2.094,1107 6.567,1108 24.65,1109 3.086,1110 14.796,1111 18.443,1112 0.054,1113 29.625,1114 14.312,1115 1.762,1116 5.794,1117 26.448,1118 2.827,1119 15.883,1120 19.856,1121 2.838,1122 31.858,1123 15.364,1124 1.472,1125 4.376,1126 28.248,1127 2.73,1128 16.935,1129 21.174,1130 0.035,1131 34.069,1132 16.383,1133 6786,1134 12117,1135 17.8,1136 29.171,1137 40.232,1138 41.758,1139 41.065,1140 40.031,1141 40.02,1142 50.171,1143 7.581,1144 111.913,1145 37.82,1146 5.327,1147 5.514,1148 6.059,1149 5.06,1150 4.996,1151 6.953,1152 2.302,1153 15.832,1154 4.896,1155 12.81,1156 1.49,1157 1.547,1158 1.521,1159 1.483,1160 1.482,1161 1.858,1162 0.281,1163 4.145,1164 1.401,1165 3.989,1166 4.022,1167 3.943,1168 3.874,1169 8.201,1170 3.885,1171 3.899,1172 3.927,1173 3.853,1174 3.803,1175 7.437,1176 3.812,1177 3.7,1178 3.747,1179 3.588,1180 3.494,1181 4.937,1182 3.508,1183 3.374,1184 3.42,1185 3.302,1186 3.12,1187 4.841,1188 3.154,1189 3.187,1190 3.265,1191 3.083,1192 3.022,1193 4.719,1194 3.005,1195 3.145,1196 3.206,1197 2.976,1198 2.941,1199 4.584,1200 2.92,1201 3.111,1202 3.2,1203 2.866,1204 2.884,1205 4.188,1206 2.91,1207 2.883,1208 2.935,1209 2.794,1210 2.705,1211 3.868,1212 2.716,1213 0.16,1214 0.13,1215 0.232,1216 0.147,1217 0.111,1218 4.327,1219 0.146,1220 3.514,1221 0.043,1222 6.258,1223 0.352,1224 3.957,1225 0.107,1226 2.996,1227 3.953,1228 1.151,1229 9.499,1230 2.896,1231 1.912,1232 1.888,1233 2.012,1234 2.059,1235 1.218,1236 2.043,1237 1.868,1238 1.839,1239 1.977,1240 1.989,1241 1.114,1242 1.987,1243 1.642,1244 1.59,1245 1.845,1246 1.863,1247 1.015,1248 1.858,1249 1.257,1250 1.216,1251 1.537,1252 1.561,1253 0.825,1254 1.527,1255 1.202,1256 1.124,1257 1.513,1258 1.419,1259 0.619,1260 1.463,1261 1.153,1262 1.064,1263 1.467,1264 1.376,1265 0.584,1266 1.429,1267 1.04,1268 0.986,1269 1.279,1270 1.352,1271 0.264,1272 1.337,1273 0.818,1274 0.773,1275 1.078,1276 1.087,1277 0.113,1278 1.082,1279 4.007,1281 5.313,1283 6.81,1285 8.392,1287 10.017,1289 1.769,1291 13.176,1293 5.437,1295 2.788,1297 11.071,1300 2.044,1305 28.333,1306 76.126,1307 169.808,1308 206.769,1309 218.379,1310 218.379,1311 218.379,1312 49.486,1313 6.963,1314 77.68,1315 77.68,1316 18,1317 12.243,1318 3.807,1319 3,1320 41.645,1321 89,1322 93,1323 0.225,1324 174.33,1325 308.04,1326 417.126,1327 9152,1328 2.2,1329 17.811,1330 0.712,1331 0.56,1332 16.941,1333 13.997,1334 12.025,1335 0.445,1336 0.298,1337 7.886,1338 11.363,1339 7.71,1340 6.339,1341 11.631,1342 8.051,1343 10.968,1344 0.296,1345 0.159,1346 10.335,1347 5.868,1348 8.692,1349 0.189,1350 0.087,1351 8.372,1352 3.997,1353 6.911,1354 0.121,1355 0.047,1356 6.576,1357 2.669,1358 5.726,1359 0.078,1360 0.024,1361 5.527,1362 1.758,1363 0.35,1364 76.773,1365 0.237,1366 24.24,1367 0.623,1368 128,1369 475.92,1370 146.017,1371 421.628,1372 556.4,1373 394,1374 147,1375 389.539,1376 164.21,1377 385.359,1378 560.79,1379 361,1380 5}
{0 CHEMBL475251,1 1.811,2 13.294,3 3.881,4 15.065,5 120.223,6 8.255,7 0.486,8 4.181,9 4.287,10 3.819,11 3.59,12 5.41,13 3.639,14 4.696,15 4.852,16 4.212,17 3.93,18 5.928,19 3.987,20 4.871,21 5.003,22 4.354,23 4.072,24 6.256,25 4.124,26 4.965,27 5.15,28 4.237,29 4.11,30 6.19,31 4.106,32 4.971,33 5.17,34 4.157,35 4.096,36 6.144,37 4.074,38 4.931,39 5.145,40 4.061,41 4.021,42 6.123,43 3.982,44 4.857,45 5.115,46 4.009,47 3.875,48 5.993,49 3.849,50 4.682,51 4.9,52 3.99,53 3.738,54 5.985,55 3.776,56 0.241,57 0.916,58 9.999,59 4.578,60 11.947,61 5.41,62 0.752,63 1.357,64 21.622,65 7.518,66 50.92,67 8.972,68 1.2,69 1.653,70 24.404,71 7.729,72 79.055,73 9.366,74 1.098,75 1.661,76 29.552,77 9.584,78 85.717,79 12.264,80 1.125,81 1.673,82 30.993,83 9.389,84 71.271,85 12.534,86 1.08,87 1.631,88 30.075,89 9.243,90 75.683,91 12.335,92 0.918,93 1.487,94 31.121,95 8.513,96 74.725,97 12.79,98 0.995,99 1.342,100 24.284,101 6.132,102 80.035,103 8.003,104 59,105 54,106 0.295,107 0.608,108 0.739,109 0.778,110 0.791,111 0.815,112 3.56,113 0.82,114 -3.27,115 -3.26,116 -3.12,119 38.6,120 2,124 3,130 1,142 4,144 6,145 1,147 3,150 1,158 1,172 1,174 1,175 6,178 6,180 3,183 2,186 4,187 6,190 1,192 4,198 3,199 7,202 3,203 2,204 1,207 2,212 4,215 2,220 2,223 5,224 2,227 3,229 3,236 3,237 1,242 3,249 1,250 2,253 3,254 1,258 2,262 1,263 2,266 2,271 2,275 2092,276 22.632,277 22.632,278 22.632,279 22.632,280 22.632,281 20.291,282 39.73,283 12.811,284 23.637,285 18.052,286 18.052,287 18.052,288 18.052,289 18.052,290 14.241,291 67.244,292 5.824,293 19.48,294 4.022,295 2.105,296 1.304,297 1.067,298 0.983,299 0.838,300 4.251,304 1,305 1,306 963,307 3.674,311 424.732,315 161.402,318 2.118,319 47.252,322 0.75,323 0.67,324 0.83,325 0.9,327 0.83,328 1,329 0.71,330 77.5,331 452,332 4.54,333 4.104,334 7.282,335 4.367,336 3.413,337 4.111,338 2.03,339 12.355,340 3.249,341 4.426,342 3.375,343 6.524,344 4.012,345 3.069,346 3.999,347 0.892,348 10.264,349 2.887,350 4.272,351 3.208,352 6.161,353 3.848,354 2.921,355 3.877,356 0.86,357 9.146,358 2.705,359 4.099,360 3.007,361 6.078,362 3.689,363 2.747,364 3.463,365 0.86,366 8.822,367 2.574,368 3.694,369 2.778,370 5.5,371 3.339,372 2.412,373 3.02,374 0.86,375 7.382,376 2.231,377 3.475,378 2.691,379 5.217,380 3.078,381 2.14,382 2.782,383 0.4,384 6.48,385 2.001,386 3.355,387 2.555,388 5.19,389 2.972,390 2.061,391 2.604,392 0.4,393 6.118,394 1.867,395 3.298,396 2.402,397 4.959,398 2.84,399 1.912,400 2.593,401 0.141,402 5.726,403 1.764,404 3.103,405 2.154,406 4.898,407 2.765,408 1.818,409 2.208,411 5.276,412 1.704,413 2.825,414 1.907,415 4.173,416 2.331,417 1.416,418 1.955,420 3.756,421 1.289,422 2.649,423 1.693,424 4.028,425 2.165,426 1.171,427 1.625,428 3.088,429 1.151,430 2.201,431 1.631,432 3.78,433 1.967,434 1.145,435 1.187,436 2.397,437 0.937,438 1.688,439 1.025,440 3.18,441 1.332,442 0.433,443 0.516,445 1.046,446 0.382,447 1.576,448 0.916,449 3.021,450 1.27,451 0.396,452 0.452,454 0.651,455 0.342,456 1.525,457 0.79,458 2.971,459 1.217,460 0.352,461 0.386,463 0.603,464 0.301,465 15.352,466 0.452,467 1.025,468 0.03,469 47,470 1.382,471 23,472 0.676,473 24,474 0.706,475 28.102,476 0.827,477 38.048,478 0.668,479 40.445,480 1.19,481 9.545,482 0.281,483 6.688,484 0.197,485 0.203,486 0.033,487 0.358,491 1,493 0.854,494 1.402,495 0.693,496 1.268,497 0.651,498 0.986,499 1.044,500 0.938,501 0.665,502 0.846,503 0.692,504 0.688,505 1.099,506 1.139,507 0.993,508 1.062,509 1.002,510 1.006,511 0.962,512 0.996,513 1.021,514 1.05,515 1.094,516 1.054,517 1.027,518 0.99,519 1.075,520 1,521 0.725,522 1.049,523 0.941,524 1.075,525 1.121,526 1.068,527 0.993,528 1.136,529 0.72,530 1.088,531 0.69,532 0.892,533 0.849,534 0.796,535 1.182,536 1.059,537 0.967,538 0.742,539 1.328,540 0.739,541 9.5,542 0.26,543 4.444,544 2.938,545 2.747,546 1.215,547 0.847,548 0.582,549 0.476,550 0.451,551 16879,552 54611,553 2.018,554 40.4,556 13,558 1,559 3,561 6,564 1.758,565 1.846,566 3.693,567 0.928,569 1,573 103.206,574 1.811,575 3.728,576 4.529,577 4.766,578 4.85,579 4.995,580 3.125,581 4.572,582 5.062,583 3.885,584 2179.36,585 8.865,586 33835.9,591 332.475,592 1.667,593 4.989,594 0.257,595 0.008,596 0.082,597 0.05,598 0.053,599 0.025,600 0.02,601 0.014,602 0.012,603 0.012,604 0.533,605 0.33,606 0.75,607 0.928,608 183.474,609 -0.111,610 -0.275,611 0.046,612 -0.179,613 -0.097,614 -0.04,615 -0.053,616 0.056,617 0.236,618 0.155,619 0.032,620 0.25,621 0.032,622 -0.029,623 -0.108,624 -0.084,625 0.026,626 -0.133,627 -0.034,628 -0.021,629 -0.093,630 -0.074,631 -0.096,632 -0.102,633 -0.106,634 -0.045,635 -0.126,636 -0.025,637 -0.017,638 -0.079,639 -0.034,640 -0.044,641 -0.157,642 -0.103,643 -0.078,644 -0.165,645 0.111,646 -0.13,647 0.349,648 0.066,649 0.097,650 0.24,651 -0.051,652 0.153,653 0.052,654 0.164,655 -0.06,656 0.165,657 2.364,658 6.439,659 0.647,660 36.18,661 1.03,662 1.142,663 2.038,664 4.155,665 0.651,666 3.638,667 4.007,668 4.277,669 4.522,670 4.787,671 4.828,672 4.942,673 5.069,674 5.198,675 5.273,676 7.926,677 0.646,678 470.51,679 3.638,680 5.209,681 6.071,682 6.969,683 7.847,684 8.743,685 9.626,686 10.521,687 11.406,688 12.301,689 10.5,696 1,697 2,699 3,704 5,705 3,709 10,711 18,724 2,729 4,730 1,731 57,733 19,734 1,735 37,737 60,738 22,739 15,740 4,741 2,746 4,747 5,752 2,756 1,761 16,762 6,763 1,766 1,771 1,775 1,778 1,779 1,781 23,782 12,783 3,784 12,790 6,794 0.75,795 5,805 1,806 1,812 4,816 1,826 1,840 3,844 5,846 1,848 34,855 3,856 4,860 1,869 1,870 8.8,873 1,875 4,877 18.417,878 11.993,879 7.486,880 2.984,881 3.524,882 1.431,883 0.952,884 6.748,885 11.706,886 3.871,887 4.494,888 5.042,889 5.575,890 6.132,891 6.338,892 6.661,893 7.076,894 7.442,895 7.783,896 0.889,897 59,898 12.559,900 5.385,901 8.002,902 22.985,904 18.11,905 2.502,906 85.083,910 235.422,911 143.691,912 104.389,914 69.144,915 14.96,917 143.691,918 304.567,919 119.349,920 50.3,921 18.011,922 37.905,923 91.977,924 121.92,925 23.843,926 223.651,928 235.422,929 248.08,930 84.105,933 179.756,934 139.771,937 82.629,938 115.094,939 50.357,941 250.382,942 173.533,943 143.691,946 235.422,947 46.439,948 97.252,949 54.032,950 134.461,951 235.422,952 188.493,953 143.691,955 0.591,956 0.358,957 0.188,958 0.106,959 26,960 13,961 0.117,962 7,963 1,964 1.091,965 4.336,966 319.203,967 0.091,968 22,969 162.974,974 23.946,975 9.581,976 5.018,978 188.493,979 7.55,980 12.446,984 1.969,986 54.032,987 567.606,988 47,993 12.141,997 -0.338,999 58.712,1000 65.113,1001 0.31,1002 0.639,1003 0.777,1004 0.817,1005 0.831,1006 0.856,1007 5.145,1008 1.912,1009 6.107,1010 6.118,1011 4.691,1012 5.182,1013 2.693,1014 6.974,1015 4.549,1016 6.383,1017 1.818,1018 7.714,1019 5.726,1020 4.511,1021 5.147,1022 1.593,1023 8.127,1024 4.326,1025 7.723,1026 1.416,1027 9.424,1028 5.276,1029 6.392,1030 7.39,1031 3.387,1032 11.154,1033 6.13,1034 9.094,1035 1.171,1036 11.194,1037 3.756,1038 6.976,1039 8.073,1040 3.201,1041 13.092,1042 6.67,1043 10.492,1044 1.145,1045 13.005,1046 3.088,1047 8.392,1048 9.856,1049 4.521,1050 15.716,1051 8.024,1052 11.908,1053 0.433,1054 14.844,1055 2.397,1056 9.311,1057 10.87,1058 4.75,1059 17.977,1060 8.897,1061 13.337,1062 0.396,1063 16.704,1064 1.046,1065 10.566,1066 12.46,1067 5.819,1068 20.489,1069 10.098,1070 3.413,1071 0.352,1072 18.583,1073 0.651,1074 11.635,1075 13.643,1076 6.248,1077 22.885,1078 11.12,1079 3.069,1080 12.355,1081 20.477,1082 0.603,1083 12.837,1084 15.139,1085 7.175,1086 25.374,1087 12.273,1088 2.921,1089 10.264,1090 22.383,1091 4.111,1092 13.973,1093 16.415,1094 7.714,1095 27.828,1096 13.362,1097 2.747,1098 9.146,1099 24.299,1100 3.999,1101 15.163,1102 17.862,1103 8.557,1104 30.317,1105 14.505,1106 2.412,1107 8.822,1108 26.225,1109 3.877,1110 16.332,1111 19.188,1112 9.16,1113 32.797,1114 15.627,1115 2.14,1116 7.382,1117 28.158,1118 3.463,1119 17.523,1120 20.61,1121 9.952,1122 35.293,1123 16.772,1124 2.061,1125 6.48,1126 30.098,1127 3.02,1128 18.709,1129 21.965,1130 10.594,1131 37.787,1132 17.912,1133 16292,1134 29510,1135 23.868,1136 37.097,1137 55.607,1138 57.918,1139 58.353,1140 55.078,1141 55.24,1142 70.054,1143 12.887,1144 166.968,1145 51.143,1146 5.484,1147 6.104,1148 6.824,1149 5.479,1150 5.413,1151 7.111,1152 3.634,1153 19.836,1154 5.249,1155 21.237,1156 1.503,1157 1.565,1158 1.577,1159 1.489,1160 1.493,1161 1.893,1162 0.348,1163 4.513,1164 1.382,1165 4.006,1166 4.042,1167 3.975,1168 3.856,1169 8.201,1170 3.879,1171 3.93,1172 3.95,1173 3.896,1174 3.796,1175 7.428,1176 3.817,1177 3.807,1178 3.843,1179 3.784,1180 3.619,1181 5.034,1182 3.655,1183 3.614,1184 3.659,1185 3.535,1186 3.472,1187 4.951,1188 3.478,1189 3.303,1190 3.355,1191 3.182,1192 3.027,1193 4.876,1194 3.054,1195 3.29,1196 3.35,1197 3.144,1198 3.006,1199 4.58,1200 3.026,1201 3.203,1202 3.282,1203 2.993,1204 2.897,1205 4.469,1206 2.901,1207 3.131,1208 3.211,1209 2.979,1210 2.874,1211 4.453,1212 2.888,1213 0.123,1214 0.111,1215 0.197,1216 0.118,1217 0.092,1218 4.54,1219 0.111,1220 4.104,1221 0.055,1222 7.282,1223 0.334,1224 4.367,1225 0.088,1226 3.413,1227 4.111,1228 2.03,1229 12.355,1230 3.249,1231 1.888,1232 1.867,1233 1.968,1234 2.068,1235 1.087,1236 2.036,1237 1.864,1238 1.84,1239 1.947,1240 2.02,1241 1.068,1242 1.994,1243 1.706,1244 1.666,1245 1.823,1246 1.911,1247 0.915,1248 1.877,1249 1.581,1250 1.537,1251 1.723,1252 1.753,1253 0.723,1254 1.757,1255 1.227,1256 1.163,1257 1.59,1258 1.558,1259 0.584,1260 1.565,1261 1.213,1262 1.149,1263 1.572,1264 1.523,1265 0.574,1266 1.536,1267 1.159,1268 1.071,1269 1.541,1270 1.479,1271 0.562,1272 1.498,1273 1.048,1274 0.975,1275 1.417,1276 1.36,1277 0.469,1278 1.341,1279 4.317,1281 5.673,1283 7.228,1285 8.873,1287 10.565,1289 7.795,1291 14.439,1296 8.453,1297 21.647,1301 -1.018,1305 36.827,1306 103.206,1307 212.487,1308 258.171,1309 271.681,1310 276.436,1311 284.7,1312 73.233,1313 8.182,1314 128.75,1315 128.75,1316 24,1317 12.828,1318 4.322,1319 3.459,1320 57.072,1321 163,1322 140,1323 0.169,1324 224.9,1325 396.64,1326 540.515,1327 44884,1328 1.8,1329 24.457,1330 0.719,1331 0.563,1332 23.587,1333 19.148,1334 16.233,1335 0.439,1336 0.273,1337 9.83,1338 15.114,1339 9.49,1340 7.936,1341 15.822,1342 10.119,1343 15.163,1344 0.281,1345 0.142,1346 14.645,1347 7.664,1348 12.804,1349 0.18,1350 0.069,1351 12.255,1352 4.914,1353 10.285,1354 0.113,1355 0.035,1356 10.104,1357 3.186,1358 8.819,1359 0.074,1360 0.018,1361 8.437,1362 2.171,1363 0.27,1364 105.445,1365 0.205,1366 31.555,1367 0.452,1368 182,1369 708.723,1370 213.875,1371 634.645,1372 856.84,1373 594,1374 216,1375 630.738,1376 249.215,1377 626.056,1378 917.24,1379 582,1380 5}
{0 CHEMBL476953,1 1.486,2 10.897,3 4.797,4 23.009,5 118.421,6 7.393,7 0.485,8 4.101,9 4.209,10 3.722,11 3.73,12 5.078,13 3.668,14 4.698,15 4.864,16 4.163,17 4.175,18 5.607,19 4.096,20 4.989,21 5.179,22 4.227,23 4.365,24 5.891,25 4.237,26 5.149,27 5.41,28 4.155,29 4.354,30 5.993,31 4.175,32 4.927,33 5.148,34 4.044,35 4.182,36 5.882,37 4.038,38 4.771,39 4.966,40 3.93,41 4.122,42 5.604,43 3.981,44 4.819,45 5.028,46 3.944,47 4.119,48 5.707,49 3.999,50 4.925,51 5.157,52 3.874,53 4.129,54 5.831,55 3.979,56 0.029,57 0.759,58 12.178,59 5.685,60 6.643,61 7.283,62 0.218,63 1.364,64 25.446,65 9.859,66 18.455,67 12.869,68 0.319,69 1.776,70 34.618,71 13.575,72 32.822,73 17.569,74 0.346,75 2.033,76 48.902,77 17.713,78 47.164,79 22.563,80 0.539,81 1.693,82 39.728,83 12.695,84 57.482,85 15.424,86 0.173,87 1.424,88 31.57,89 12.052,90 19.732,91 14.856,92 0.246,93 1.458,94 30.102,95 11.354,96 28.15,97 14.58,98 0.414,99 1.526,100 33.841,101 12.971,102 53.327,103 16.775,104 10,105 49,106 0.244,107 0.559,108 0.736,109 0.829,110 0.844,111 0.856,112 3.409,113 1.014,114 -5.21,115 -5.1,116 -4.78,119 43.6,120 2,121 3,123 1,125 3,127 1,142 7,143 3,146 1,152 1,157 1,162 1,172 16,174 1,175 5,183 22,186 1,187 5,195 16,198 1,199 11,207 10,211 2,212 8,220 7,224 8,232 4,237 8,245 5,249 1,250 8,258 8,263 7,271 10,275 1338,276 19.549,277 19.549,278 19.549,279 19.549,280 19.549,281 17.621,282 21.121,283 11.312,284 19.978,285 16.357,286 16.357,287 16.357,288 16.357,289 16.357,290 13.347,291 26.439,292 5.437,293 17.095,294 4.295,295 2.378,296 1.299,297 0.732,298 0.646,299 0.573,300 4.119,304 1,305 1,306 707,307 2.915,310 52.967,311 296.951,314 104.158,315 118.412,318 1.7,319 23.412,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 316,332 4.548,333 3.735,334 6.876,335 4.328,336 3.346,337 4.336,338 1.277,339 11.536,340 3.302,341 4.408,342 3.31,343 6.553,344 3.991,345 3.057,346 4.139,347 0.86,348 10.41,349 2.94,350 4.144,351 3.08,352 6.25,353 3.897,354 2.916,355 3.273,356 0.8,357 9.323,358 2.77,359 3.877,360 2.958,361 6.179,362 3.673,363 2.713,364 3.092,366 9.171,367 2.602,368 3.62,369 2.705,370 5.404,371 3.266,372 2.281,373 2.907,375 6.981,376 2.237,377 3.364,378 2.441,379 5.151,380 3.025,381 2.033,382 2.518,384 6.051,385 2.008,386 3.118,387 2.227,388 4.923,389 2.685,390 1.756,391 2.427,393 5.33,394 1.618,395 3,396 1.744,397 4.413,398 2.618,399 1.618,400 2.131,402 4.36,403 1.614,404 2.883,405 1.618,406 3.986,407 2.42,408 1.458,409 2.033,411 3.266,412 1.406,413 2.445,414 1.419,415 3.792,416 2.315,417 1.361,418 1.444,420 2.98,421 1.278,422 2.333,423 1.389,424 3.618,425 1.91,426 1.06,427 1.232,428 2.749,429 0.888,430 2.178,431 1.199,432 3.591,433 1.703,434 0.801,435 1.056,436 2.294,437 0.703,438 2.124,439 0.743,440 3.234,441 1.69,442 0.702,443 1.027,445 1.624,446 0.69,447 1.321,448 0.549,449 3.183,450 1.091,451 0.121,452 0.138,454 0.319,455 0.117,456 1.032,457 0.358,458 2.925,459 0.739,460 -0.243,461 -0.282,463 -0.734,464 -0.233,465 14.3,466 0.493,467 0.861,468 0.03,469 34.5,470 1.19,471 16,472 0.552,473 18.5,474 0.638,475 30.373,476 1.047,477 30.7,478 0.558,479 22.789,480 0.786,481 6.098,482 0.21,483 7.885,484 0.272,485 0.093,486 0.035,487 0.308,493 0.707,494 1.174,495 0.761,496 0.974,497 0.59,498 0.944,499 1.023,500 0.999,501 0.806,502 0.873,503 0.663,504 0.852,505 1.033,506 1.136,507 1.015,508 1.063,509 1.027,510 1.13,511 0.748,512 1.049,513 1.093,514 1.076,515 0.704,516 0.926,517 1.565,518 0.956,519 1.447,520 1.086,521 1.818,522 1.004,523 0.993,524 1.276,525 1.357,526 1.35,527 0.638,528 1.187,529 1.296,530 1.043,531 1.052,532 1.024,533 1.264,534 1.04,535 1.282,536 0.957,537 0.953,538 0.939,539 1.405,540 1.019,541 7,542 0.167,543 3.333,544 2.444,545 1.903,546 0.956,547 0.572,548 0.541,549 0.329,550 0.219,551 11278,552 24962,553 2.162,554 47.3,555 6,556 14,560 4,561 2,564 1.72,565 2.035,566 3.427,567 -0.819,573 81.724,574 1.486,575 3.404,576 4.483,577 5.049,578 5.136,579 5.208,580 2.902,581 4.556,582 4.832,583 3.582,584 1454.39,585 8.419,586 19304.4,588 1,591 317.975,592 1.503,593 4.79,594 0.212,595 0.008,596 0.068,597 0.051,598 0.043,599 0.025,600 0.015,601 0.014,602 0.01,603 0.008,604 0.455,605 0.33,606 0.88,607 0.506,608 146.316,609 0.02,610 -0.088,611 0.086,612 0.012,613 -0.018,614 0.03,616 0.066,617 0.131,618 0.104,619 0.009,620 0.108,621 -0.046,622 -0.094,623 -0.083,624 -0.101,625 -0.108,626 -0.172,627 0.102,628 -0.056,629 0.078,630 0.005,631 0.143,632 0.085,633 -0.135,634 0.159,635 -0.194,636 -0.013,637 -0.237,638 -0.062,639 -0.054,640 -0.239,641 -0.203,642 -0.249,643 -0.016,644 -0.191,645 -0.125,646 -0.024,647 -0.102,648 -0.074,649 -0.083,650 -0.088,651 0.004,652 -0.024,653 -0.045,654 -0.01,655 -0.017,656 -0.055,657 1.417,658 5.621,659 0.862,660 24.832,661 0.992,662 1.115,663 3.983,664 15.861,665 0.686,666 3.526,667 3.912,668 4.19,669 4.522,670 4.771,671 4.89,672 5.024,673 5.204,674 5.313,675 5.333,676 6.511,677 0.636,678 406.59,679 3.526,680 5.106,681 5.974,682 6.887,683 7.769,684 8.685,685 9.574,686 10.49,687 11.384,688 12.3,689 3.6,695 1,699 1,703 2,704 7,705 1,708 1,709 4,711 16,716 1,726 1,731 55,733 17,734 2,735 33,737 59,738 24,739 13,740 3,741 7,742 1,746 5,747 7,752 2,753 1,754 1,755 3,758 4,761 14,762 10,766 1,771 1,775 1,781 26,782 4,784 5,785 1,790 2,794 0.6,795 2,811 1,812 4,815 1,816 1,839 1,840 3,842 1,844 2,848 29,854 6,856 1,858 1,859 1,860 1,863 1,870 3.6,873 1,874 1,877 14.25,878 10.567,879 6.056,880 3.449,881 3.214,882 1.388,883 0.996,884 4.857,885 11.501,886 3.761,887 4.379,888 4.95,889 5.561,890 6.053,891 6.352,892 6.671,893 7.013,894 7.323,895 7.263,896 1,897 48,898 10.816,900 4.747,901 7.52,902 21.381,904 18.732,905 2.02,906 58.583,908 1,909 1,910 306.049,911 152.237,912 19.91,914 36.145,916 31.278,917 120.959,918 342.193,919 19.91,920 17.65,921 18.894,922 66.334,923 58.064,924 14.713,925 1.358,926 337.326,928 306.049,929 140.869,930 36.145,931 31.278,933 282.506,934 48.687,935 11,937 39.802,938 84.281,939 16.786,940 31.278,941 306.049,942 56.055,943 152.237,946 306.049,947 68.253,948 87.108,950 52.93,951 306.049,952 56.055,953 152.237,955 0.597,956 0.342,957 0.194,958 0.108,959 27,960 11,961 0.051,962 3,963 2,964 1.16,965 4.052,966 271.991,967 0.16,968 25,969 138.881,970 1,974 19.054,975 7.393,976 3.795,977 2.535,978 56.055,979 15.16,980 4.93,983 1.577,984 4.148,987 514.34,988 42,993 12.621,997 0.249,999 54.538,1000 61.318,1001 0.257,1002 0.589,1003 0.775,1004 0.873,1005 0.888,1006 0.901,1007 5.043,1008 1.618,1009 6.004,1010 5.33,1011 4.595,1012 5.066,1013 1.903,1014 6.874,1015 4.518,1016 6.265,1017 1.458,1018 7.598,1019 4.36,1020 4.369,1021 4.966,1022 0.325,1023 7.997,1024 4.29,1025 7.595,1026 1.361,1027 9.296,1028 3.266,1029 6.29,1030 7.268,1031 2.065,1032 11.038,1033 6.156,1034 8.956,1035 1.06,1036 11.054,1037 2.98,1038 6.847,1039 7.966,1040 0.268,1041 12.931,1042 6.704,1043 10.347,1044 0.801,1045 12.85,1046 2.749,1047 8.286,1048 9.783,1049 2.377,1050 15.537,1051 8.105,1052 11.759,1053 0.702,1054 14.67,1055 2.294,1056 9.185,1057 10.863,1058 0.188,1059 17.727,1060 8.991,1061 13.186,1062 0.121,1063 16.508,1064 1.624,1065 10.446,1066 12.476,1067 2.77,1068 20.194,1069 10.225,1070 3.346,1071 -0.243,1072 18.358,1073 0.319,1074 11.495,1075 13.746,1076 0.125,1077 22.507,1078 11.261,1079 3.057,1080 11.536,1081 20.217,1082 -0.734,1083 12.692,1084 15.269,1085 3.207,1086 24.932,1087 12.438,1088 2.916,1089 10.41,1090 22.084,1091 4.336,1092 13.809,1093 16.631,1094 0.082,1095 27.299,1096 13.542,1097 2.713,1098 9.323,1099 23.956,1100 4.139,1101 14.986,1102 18.115,1103 3.668,1104 29.714,1105 14.705,1106 2.281,1107 9.171,1108 25.834,1109 3.273,1110 16.134,1111 19.522,1112 0.054,1113 32.109,1114 15.843,1115 2.033,1116 6.981,1117 27.716,1118 3.092,1119 17.308,1120 20.988,1121 4.142,1122 34.524,1123 17.005,1124 1.756,1125 6.051,1126 29.601,1127 2.907,1128 18.473,1129 22.419,1130 0.035,1131 36.934,1132 18.161,1133 10376,1134 15569,1135 22.364,1136 37.705,1137 51.094,1138 52.258,1139 51.155,1140 50.327,1141 50.445,1142 63.504,1143 5.875,1144 152.791,1145 48.341,1146 5.548,1147 5.735,1148 6.563,1149 5.467,1150 5.346,1151 7.336,1152 2.555,1153 18.866,1154 5.302,1155 12.18,1156 1.548,1157 1.584,1158 1.55,1159 1.525,1160 1.529,1161 1.924,1162 0.178,1163 4.63,1164 1.465,1165 4.102,1166 4.125,1167 4.276,1168 4.06,1169 7.427,1170 4.052,1171 4.004,1172 4.026,1173 4.035,1174 3.962,1175 4.905,1176 3.924,1177 3.788,1178 3.836,1179 3.688,1180 3.634,1181 4.795,1182 3.635,1183 3.537,1184 3.578,1185 3.576,1186 3.484,1187 4.58,1188 3.441,1189 3.476,1190 3.518,1191 3.382,1192 3.36,1193 4.321,1194 3.346,1195 3.183,1196 3.256,1197 3.096,1198 3.055,1199 4.214,1200 3.036,1201 3.182,1202 3.215,1203 3.012,1204 2.955,1205 3.878,1206 2.978,1207 3.03,1208 3.088,1209 2.889,1210 2.932,1211 3.744,1212 2.914,1213 0.138,1214 0.113,1215 0.208,1216 0.131,1217 0.101,1218 4.548,1219 0.131,1220 3.735,1221 0.039,1222 6.876,1223 0.35,1224 4.328,1225 0.1,1226 3.346,1227 4.336,1228 1.277,1229 11.536,1230 3.302,1231 2.081,1232 2.062,1233 2.17,1234 2.137,1235 1.375,1236 2.149,1237 1.883,1238 1.852,1239 2.048,1240 2.004,1241 1.366,1242 2.021,1243 1.76,1244 1.714,1245 1.934,1246 1.96,1247 1.216,1248 1.957,1249 1.506,1250 1.465,1251 1.703,1252 1.639,1253 0.944,1254 1.664,1255 1.339,1256 1.318,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.216,1262 1.152,1263 1.504,1264 1.4,1265 0.687,1266 1.434,1267 1.185,1268 1.136,1269 1.417,1270 1.392,1271 0.584,1272 1.393,1273 1.055,1274 1.002,1275 1.36,1276 1.239,1277 0.469,1278 1.308,1279 4.205,1281 5.572,1282 2.398,1283 7.13,1284 4.727,1285 8.776,1286 6.862,1287 10.468,1289 4.314,1295 4.626,1297 5.818,1299 0.237,1300 2.363,1301 0.005,1305 34.981,1306 81.724,1307 187.206,1308 246.549,1309 277.71,1310 282.465,1311 286.465,1312 46.529,1313 8.288,1314 42.43,1315 70.67,1316 29,1317 12.815,1318 4.17,1319 3.322,1320 39.585,1321 112,1322 112,1323 0.17,1324 213.313,1325 366.23,1326 512.243,1327 51953,1329 20.01,1330 0.69,1331 0.614,1332 20.363,1333 17.797,1334 13.983,1335 0.424,1336 0.338,1337 10.311,1338 13.212,1339 9.887,1340 8.154,1341 14.391,1342 11.151,1343 13.633,1344 0.278,1345 0.204,1346 14.249,1347 9.998,1348 11.064,1349 0.17,1350 0.11,1351 11.954,1352 7.159,1353 10.062,1354 0.111,1355 0.062,1356 10.978,1357 5.662,1358 8.114,1359 0.069,1360 0.037,1361 9.067,1362 4.272,1363 0.265,1364 90.504,1365 0.211,1366 27.32,1367 0.471,1368 164,1369 397.622,1370 200.575,1371 407.229,1372 565.14,1373 384,1374 196,1375 401.001,1376 232.477,1377 427.162,1378 632.85,1379 401,1380 5.457}
{0 CHEMBL477772,1 1.719,2 11.968,3 3.864,4 14.932,5 122.737,6 8.103,7 0.647,8 4.104,9 4.224,10 3.876,11 3.648,12 5.22,13 3.62,14 4.618,15 4.794,16 4.174,17 4.016,18 5.962,19 3.99,20 4.786,21 4.955,22 4.224,23 4.173,24 5.958,25 4.124,26 4.937,27 5.132,28 4.161,29 4.214,30 6.076,31 4.121,32 5.003,33 5.255,34 4.006,35 4.116,36 6.109,37 4.009,38 4.823,39 5.085,40 3.915,41 3.953,42 5.83,43 3.865,44 4.627,45 4.861,46 3.942,47 3.859,48 5.821,49 3.799,50 4.578,51 4.779,52 3.856,53 3.88,54 5.703,55 3.799,56 0.138,57 0.904,58 12.929,59 4.722,60 20.395,61 5.743,62 0.473,63 1.378,64 22.161,65 7.738,66 72,67 9.924,68 0.338,69 1.611,70 24.428,71 8.777,72 40.919,73 11.033,74 0.405,75 1.764,76 32.164,77 11.123,78 46.141,79 14.3,80 0.678,81 1.676,82 37.021,83 11.492,84 90.976,85 15.73,86 0.506,87 1.46,88 30.445,89 8.58,90 62.666,91 12.541,92 0.541,93 1.281,94 22.957,95 6.991,96 53.727,97 9.878,98 0.292,99 1.246,100 21.137,101 7.269,102 30.346,103 9.7,104 51,105 51,106 0.28,107 0.632,108 0.768,109 0.863,110 0.869,111 0.869,112 3.472,113 0.978,114 -3.85,115 -3.81,116 -3.61,119 38.9,120 2,124 2,142 7,143 2,144 3,145 1,146 1,147 1,150 1,152 1,163 1,164 1,165 1,166 1,172 5,174 3,175 9,177 2,178 4,180 2,183 8,187 9,192 3,195 5,197 2,198 2,199 13,202 1,204 4,207 4,209 2,211 1,212 5,215 2,216 1,217 2,219 1,220 1,222 1,223 1,224 9,229 2,232 3,236 5,237 5,239 2,240 2,242 1,245 1,249 1,250 3,253 1,255 1,258 6,262 3,263 3,265 1,266 2,268 1,271 5,273 1,275 1567,276 20.074,277 20.074,278 20.074,279 20.074,280 20.074,281 17.087,282 26.988,283 11.303,284 20.607,285 16.736,286 16.736,287 16.736,288 16.736,289 16.736,290 12.175,291 41.389,292 5.36,293 17.634,294 4.036,295 1.878,296 1.049,297 0.463,298 0.426,299 0.426,300 4.159,304 1,305 1,306 797,307 3.873,310 77.894,311 294.507,314 134.204,318 1.973,319 31.722,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 67.5,331 371,332 4.845,333 4.685,334 7.24,335 4.298,336 3.377,337 4.71,338 0.8,339 12.181,340 3.09,341 4.623,342 3.297,343 6.671,344 4.154,345 3.185,346 4.582,347 0.4,348 10.671,349 3.082,350 4.237,351 3.146,352 6.389,353 3.878,354 2.947,355 3.787,357 9.682,358 2.741,359 3.997,360 2.817,361 5.656,362 3.577,363 2.629,364 3.553,366 7.841,367 2.5,368 3.82,369 2.506,370 5.486,371 3.346,372 2.382,373 3.318,375 7.05,376 2.285,377 3.509,378 2.301,379 5.364,380 3.112,381 2.146,382 2.824,384 6.502,385 2.07,386 3.334,387 2.095,388 5.133,389 2.916,390 1.957,391 2.622,393 5.891,394 1.868,395 3.144,396 1.813,397 4.847,398 2.68,399 1.715,400 2.439,402 5.232,403 1.653,404 3.111,405 1.754,406 4.714,407 2.64,408 1.672,409 2.351,411 4.851,412 1.611,413 2.682,414 1.298,415 4.033,416 2.174,417 1.223,418 1.765,420 3.139,421 1.16,422 2.658,423 1.27,424 3.718,425 2.146,426 1.154,427 1.711,428 2.746,429 1.141,430 2.283,431 1.052,432 3.497,433 1.877,434 0.908,435 1.208,436 2.204,437 0.877,438 1.952,439 0.837,440 3.435,441 1.601,442 0.653,443 0.819,445 1.692,446 0.618,447 1.509,448 0.575,449 2.986,450 1.198,451 0.241,452 0.292,454 0.597,455 0.229,456 1.053,457 0.163,458 2.859,459 0.728,460 -0.228,461 -0.28,463 -0.543,464 -0.217,465 14.8,466 0.477,467 1.128,468 0.036,469 44.5,470 1.435,471 24,472 0.774,473 20.5,474 0.661,475 24.917,476 0.804,477 33.2,478 0.615,479 35.768,480 1.154,481 8.627,482 0.278,483 6.003,484 0.194,485 0.207,486 0.056,487 0.358,493 0.646,494 1.405,495 0.81,496 1.222,497 0.793,498 0.943,499 0.651,500 0.977,501 0.775,502 0.841,503 0.405,504 0.735,505 1.224,506 1.209,507 1.01,508 0.995,509 1.002,510 1.014,511 0.968,512 1.273,513 1.225,514 1.344,515 0.872,516 1.296,517 1.054,518 0.952,519 0.939,520 0.903,521 1.158,522 0.98,523 1.024,524 0.959,525 0.805,526 0.783,527 0.875,528 0.861,529 0.733,530 0.846,531 0.75,532 0.696,533 0.422,534 0.796,535 0.915,536 1.121,537 1.039,538 1.123,539 0.727,540 1.157,541 8.5,542 0.21,543 4.444,544 3.514,545 1.662,546 1.118,547 0.839,548 0.568,549 0.387,550 0.368,551 13259,552 38562,553 2.02,554 42.6,555 3,556 13,558 1,559 3,560 3,564 1.734,565 1.833,566 3.556,567 0.94,569 1,573 92.832,574 1.719,575 3.877,576 4.705,577 5.292,578 5.329,579 5.329,580 2.946,581 4.503,582 4.929,583 3.766,584 1751.26,585 8.594,586 25249.5,588 1,591 310.764,592 1.705,593 4.848,594 0.25,595 0.008,596 0.087,597 0.068,598 0.036,599 0.028,600 0.023,601 0.015,602 0.011,603 0.012,604 0.539,605 0.33,606 1,607 0.804,608 162.049,609 0.083,610 -0.169,611 0.198,612 -0.09,613 -0.22,614 0.011,615 0.303,616 0.143,617 0.152,618 0.146,619 0.43,620 0.2,621 -0.258,622 -0.091,623 -0.139,624 -0.035,625 -0.125,626 -0.091,627 -0.087,628 -0.217,629 -0.261,630 -0.332,631 -0.053,632 -0.329,633 -0.022,634 -0.038,635 -0.019,636 0.007,637 -0.078,638 0.002,639 -0.101,640 -0.013,641 0.085,642 0.088,643 -0.099,644 0.105,645 0.208,646 0.196,647 0.121,648 0.167,649 0.253,650 0.128,651 -0.09,652 -0.054,653 -0.155,654 -0.173,655 -0.048,656 -0.205,657 4.739,658 4.78,659 0.677,660 30.508,661 1.009,662 1.132,663 2.616,664 6.846,665 0.679,666 3.555,667 3.951,668 4.205,669 4.454,670 4.644,671 4.691,672 4.875,673 4.949,674 4.97,675 5.069,676 7.362,677 0.648,678 437.58,679 3.555,680 5.142,681 6.004,682 6.909,683 7.785,684 8.688,685 9.57,686 10.471,687 11.356,688 12.256,689 13,693 1,697 3,699 3,703 2,704 8,705 3,709 7,710 1,711 22,724 1,726 1,731 54,733 24,734 2,735 34,737 57,738 21,739 17,740 6,741 6,746 4,747 5,752 2,761 17,762 4,766 2,769 1,771 2,778 1,781 23,782 8,783 3,784 10,785 1,790 7,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,840 3,842 1,844 4,848 31,849 1,852 1,855 1,859 1,870 3.7,873 2,877 16.917,878 11,879 6.5,880 2.905,881 4.399,882 1.555,883 1.013,884 5.436,885 12.325,886 3.871,887 4.588,888 5.154,889 5.763,890 6.287,891 6.552,892 7.005,893 7.374,894 7.598,895 7.973,896 0.875,897 52,898 11.64,900 5.191,901 7.868,902 21.536,904 17.674,905 2.368,906 73.417,909 1,910 235.422,911 137.582,912 104.437,914 44.313,916 5.807,917 131.775,918 279.735,919 104.437,920 34.443,922 103.433,923 106.318,924 46.926,925 6.984,926 223.651,928 235.422,929 236.212,930 44.313,931 5.807,933 235.422,934 44.313,937 53.653,938 132.325,939 56.042,941 235.422,942 148.75,943 137.582,945 5.807,946 235.422,947 21.951,948 114.725,949 18.011,950 125.838,951 235.422,952 148.75,953 137.582,955 0.607,956 0.351,957 0.18,958 0.094,959 26,960 13,961 0.088,962 5,963 1,964 1.095,965 4.111,966 283.485,967 0.095,968 21,969 149.58,973 1,974 21.253,975 7.929,976 4.256,977 2.015,978 146.974,979 14.416,980 13.347,984 4.204,985 1.86,986 49.302,987 521.755,988 47,991 -3.822,993 23.56,999 54.512,1000 61.149,1001 0.299,1002 0.674,1003 0.818,1004 0.919,1005 0.926,1006 0.926,1007 5.139,1008 1.715,1009 6.057,1010 5.891,1011 4.635,1012 5.276,1013 0.824,1014 6.934,1015 4.533,1016 6.42,1017 1.672,1018 7.673,1019 5.232,1020 4.511,1021 5.427,1022 0.325,1023 8.091,1024 4.329,1025 7.791,1026 1.223,1027 9.393,1028 4.851,1029 6.347,1030 7.654,1031 0.413,1032 11.134,1033 6.125,1034 9.2,1035 1.154,1036 11.173,1037 3.139,1038 6.976,1039 8.57,1040 0.268,1041 13.073,1042 6.662,1043 10.639,1044 0.908,1045 12.992,1046 2.746,1047 8.374,1048 10.353,1049 0.246,1050 15.71,1051 8.017,1052 12.1,1053 0.653,1054 14.838,1055 2.204,1056 9.32,1057 11.606,1058 0.188,1059 17.963,1060 8.872,1061 13.579,1062 0.241,1063 16.706,1064 1.692,1065 10.568,1066 13.229,1067 0.157,1068 20.477,1069 10.07,1070 3.377,1071 -0.228,1072 18.589,1073 0.597,1074 11.65,1075 14.636,1076 0.125,1077 22.858,1078 11.067,1079 3.185,1080 12.181,1081 20.486,1082 -0.543,1083 12.849,1084 16.199,1085 0.102,1086 25.337,1087 12.207,1088 2.947,1089 10.671,1090 22.394,1091 4.71,1092 13.99,1093 17.675,1094 0.082,1095 27.773,1096 13.268,1097 2.629,1098 9.682,1099 24.312,1100 4.582,1101 15.176,1102 19.218,1103 0.067,1104 30.246,1105 14.389,1106 2.382,1107 7.841,1108 26.237,1109 3.787,1110 16.343,1111 20.726,1112 0.054,1113 32.706,1114 15.48,1115 2.146,1116 7.05,1117 28.168,1118 3.553,1119 17.528,1120 22.262,1121 0.043,1122 35.182,1123 16.596,1124 1.957,1125 6.502,1126 30.105,1127 3.318,1128 18.708,1129 23.786,1130 0.035,1131 37.655,1132 17.701,1133 12703,1134 21887,1135 21.789,1136 36.688,1137 52.702,1138 53.364,1139 54.365,1140 52.426,1141 52.377,1142 71.959,1143 2.4,1144 160.562,1145 49.856,1146 5.643,1147 6.685,1148 6.787,1149 5.375,1150 5.377,1151 7.71,1152 1.2,1153 19.593,1154 5.09,1155 19.722,1156 1.55,1157 1.57,1158 1.599,1159 1.542,1160 1.54,1161 2.116,1162 0.071,1163 4.722,1164 1.466,1165 4.133,1166 4.171,1167 4.73,1168 4.071,1169 7.726,1170 4.035,1171 4.07,1172 4.062,1173 4.093,1174 4.008,1175 6.999,1176 3.978,1177 3.848,1178 3.896,1179 3.85,1180 3.672,1181 5.057,1182 3.691,1183 3.642,1184 3.646,1185 3.7,1186 3.547,1187 4.982,1188 3.474,1189 3.527,1190 3.585,1191 3.447,1192 3.352,1193 4.826,1194 3.364,1195 3.254,1196 3.343,1197 3.109,1198 3.071,1199 4.658,1200 3.064,1201 3.182,1202 3.275,1203 2.999,1204 2.969,1205 4.406,1206 2.962,1207 3.101,1208 3.209,1209 2.878,1210 2.887,1211 4.064,1212 2.871,1213 0.143,1214 0.138,1215 0.213,1216 0.126,1217 0.099,1218 4.845,1219 0.139,1220 4.685,1221 0.024,1222 7.24,1223 0.358,1224 4.298,1225 0.091,1226 3.377,1227 4.71,1228 0.8,1229 12.181,1230 3.09,1231 1.98,1232 1.982,1233 2.032,1234 2.073,1235 1.212,1236 2.086,1237 1.945,1238 1.921,1239 2.012,1240 2.027,1241 1.185,1242 2.037,1243 1.732,1244 1.686,1245 1.837,1246 1.903,1247 0.907,1248 1.894,1249 1.576,1250 1.504,1251 1.767,1252 1.846,1253 0.796,1254 1.824,1255 1.455,1256 1.479,1257 1.585,1258 1.647,1259 0.634,1260 1.688,1261 1.276,1262 1.19,1263 1.534,1264 1.54,1265 0.599,1266 1.559,1267 1.212,1268 1.13,1269 1.517,1270 1.434,1271 0.571,1272 1.471,1273 1.107,1274 1,1275 1.277,1276 1.374,1277 0.515,1278 1.43,1279 4.234,1281 5.609,1282 2.398,1283 7.165,1284 4.844,1285 8.797,1286 7.002,1287 10.47,1289 7.56,1293 5.298,1296 3.046,1300 1.932,1305 34.981,1306 92.832,1307 209.338,1308 254.093,1309 285.744,1310 287.744,1311 287.744,1312 54.45,1313 7.926,1314 119.03,1315 127.41,1316 23,1317 12.781,1318 4.644,1319 3.807,1320 49.612,1321 139,1322 116,1323 0.174,1324 220.046,1325 365.51,1326 528.671,1327 32767,1329 22.336,1330 0.721,1331 0.596,1332 22.586,1333 18.473,1334 14.63,1335 0.43,1336 0.326,1337 9.518,1338 13.273,1339 9.001,1340 7.557,1341 15.524,1342 11.085,1343 14.586,1344 0.286,1345 0.174,1346 15.954,1347 8.888,1348 11.723,1349 0.178,1350 0.095,1351 12.481,1352 6.29,1353 9.589,1354 0.113,1355 0.049,1356 10.318,1357 4.178,1358 7.514,1359 0.073,1360 0.025,1361 7.966,1362 2.524,1363 0.277,1364 100.934,1365 0.214,1366 29.198,1367 0.468,1368 170,1369 506.202,1370 221.141,1371 518.907,1372 714.91,1373 478,1374 202,1375 521.846,1376 261.213,1377 566.356,1378 818.81,1379 527,1380 5}
{0 CHEMBL477787,1 1.523,2 9.36,3 3.888,4 15.12,5 101.971,6 7.276,7 0.393,8 3.98,9 4.093,10 3.589,11 3.581,12 4.944,13 3.515,14 4.584,15 4.759,16 4.024,17 4.017,18 5.476,19 3.933,20 4.869,21 5.068,22 4.075,23 4.199,24 5.755,25 4.062,26 5.031,27 5.302,28 4.021,29 4.191,30 5.863,31 4.004,32 4.787,33 5.006,34 3.933,35 4.024,36 5.769,37 3.884,38 4.633,39 4.824,40 3.809,41 3.979,42 5.49,43 3.838,44 4.675,45 4.886,46 3.748,47 3.948,48 5.576,49 3.816,50 4.747,51 4.993,52 3.521,53 3.892,54 5.638,55 3.713,56 0.024,57 0.696,58 11.323,59 5.157,60 5.897,61 6.624,62 0.212,63 1.227,64 23.765,65 8.752,66 17.537,67 11.567,68 0.311,69 1.57,70 32.01,71 11.953,72 30.591,73 15.591,74 0.337,75 1.759,76 44.916,77 15.396,78 43.566,79 19.622,80 0.528,81 1.452,82 35.986,83 10.707,84 54.366,85 13.058,86 0.164,87 1.244,88 28.519,89 10.49,90 18.246,91 12.871,92 0.245,93 1.237,94 26.914,95 9.832,96 27.058,97 12.643,98 0.393,99 1.224,100 29.528,101 10.94,102 49.546,103 14.258,104 10,105 41,106 0.259,107 0.565,108 0.743,109 0.816,110 0.826,111 0.826,112 3.268,113 1.044,114 -4.5,115 -4.43,116 -4.17,119 40.8,120 2,121 3,123 1,125 3,127 1,142 5,143 1,146 1,152 1,157 1,162 1,172 11,174 1,175 5,183 14,186 1,187 5,195 7,198 1,199 11,207 3,211 2,212 8,220 3,224 7,232 3,237 5,245 5,249 1,250 4,258 7,263 4,271 8,275 882,276 16.74,277 16.74,278 16.74,279 16.74,280 16.74,281 15.327,282 21.121,283 9.819,284 17.169,285 13.886,286 13.886,287 13.886,288 13.886,289 13.886,290 11.703,291 26.439,292 4.737,293 14.624,294 4.091,295 2.3,296 1.253,297 0.822,298 0.766,299 0.766,300 3.963,303 1,304 1,305 1,306 512,307 2.739,310 45.926,311 211.054,314 90.315,318 1.494,319 21.541,321 1,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 53,331 234,332 4.548,333 3.735,334 6.876,335 4.328,336 3.346,337 4.139,338 1.277,339 11.536,340 3.302,341 4.152,342 3.308,343 6.553,344 3.971,345 3.05,346 3.464,347 0.86,348 10.408,349 2.807,350 3.951,351 3.079,352 6.247,353 3.699,354 2.737,355 3.252,356 0.8,357 9.274,358 2.629,359 3.779,360 2.771,361 5.452,362 3.446,363 2.461,364 2.94,366 7.189,367 2.409,368 3.387,369 2.594,370 5.17,371 3.052,372 2.065,373 2.539,375 6.104,376 2.028,377 3.041,378 2.229,379 4.939,380 2.726,381 1.781,382 2.176,384 5.37,385 1.669,386 2.853,387 1.821,388 4,389 2.473,390 1.531,391 1.966,393 3.366,394 1.432,395 2.5,396 1.479,397 3.793,398 2.273,399 1.316,400 1.5,402 2.912,403 1.246,404 2.422,405 1.386,406 3.613,407 2,408 1.06,409 1.42,411 2.749,412 1,413 2.332,414 1.199,415 3.549,416 1.91,417 1,418 1.23,420 2.294,421 0.888,422 2.125,423 1,424 3.247,425 1.692,426 0.8,427 1.056,428 2.136,429 0.691,430 1.237,431 0.549,432 3.234,433 1.055,434 0.091,435 0.101,436 0.234,437 0.087,438 1.027,439 0.352,440 2.818,441 0.731,442 -0.252,443 -0.291,445 -0.77,446 -0.241,447 0.761,448 -0.071,449 2.794,450 0.572,451 -0.456,452 -0.526,454 -1.3,455 -0.463,456 0.663,457 -0.254,458 2.449,459 0.379,460 -0.575,461 -0.665,463 -1.372,464 -0.549,465 12.3,466 0.492,467 0.741,468 0.03,469 28,470 1.12,471 12,472 0.48,473 16,474 0.64,475 26.279,476 1.051,477 27.3,478 0.557,479 17.302,480 0.692,481 4.891,482 0.196,483 7.125,484 0.285,485 0.108,486 0.041,487 0.276,493 0.715,494 1.26,495 0.775,496 1.025,497 0.583,498 0.996,499 1.029,500 1.048,501 0.812,502 0.899,503 0.665,504 0.876,505 1.041,506 1.172,507 1.017,508 1.081,509 1.038,510 1.156,511 0.744,512 1.044,513 1.078,514 1.065,515 0.688,516 0.89,517 1.622,518 0.942,519 1.486,520 1.084,521 1.879,522 0.977,523 1.031,524 1.286,525 1.402,526 1.386,527 0.634,528 1.204,529 1.336,530 1.008,531 1.1,532 1.035,533 1.323,534 1.076,535 1.181,536 0.932,537 1.016,538 0.978,539 1.476,540 1.067,541 6,542 0.098,543 2.667,544 2.194,545 1.539,546 0.872,547 0.432,548 0.428,549 0.272,550 0.174,551 6993,552 15779,553 2.12,554 49,555 6,556 12,560 4,561 2,564 1.683,565 1.987,566 3.225,567 -0.79,569 1,573 74.643,574 1.523,575 3.315,576 4.362,577 4.793,578 4.849,579 4.849,580 2.695,581 4.164,582 4.617,583 3.364,584 1009.11,585 7.999,586 11926.3,588 1,590 1,591 275.121,592 1.535,593 4.57,594 0.214,595 0.008,596 0.065,597 0.056,598 0.042,599 0.026,600 0.013,601 0.014,602 0.012,603 0.011,604 0.462,605 0.33,606 1,607 0.553,608 119.061,609 0.017,610 -0.124,611 0.088,612 -0.002,613 -0.013,614 0.018,615 -0.003,616 0.038,617 0.137,618 0.094,619 0.006,620 0.101,621 -0.047,622 -0.118,623 -0.078,624 -0.112,625 -0.114,626 -0.189,627 0.108,628 -0.062,629 0.104,630 0.019,631 0.154,632 0.113,633 -0.154,634 0.191,635 -0.193,636 0.01,637 -0.239,638 -0.041,639 -0.078,640 -0.217,641 -0.221,642 -0.25,643 -0.007,644 -0.194,645 -0.171,646 0.01,647 -0.147,648 -0.073,649 -0.103,650 -0.116,651 -0.004,652 -0.031,653 -0.113,654 -0.048,655 -0.04,656 -0.097,657 1.414,658 5.497,659 0.84,660 19.971,661 0.993,662 1.12,663 3.272,664 10.707,665 0.672,666 3.367,667 3.738,668 3.989,669 4.317,670 4.543,671 4.663,672 4.779,673 4.934,674 4.997,675 4.997,676 5.682,677 0.622,678 356.53,679 3.367,680 4.934,681 5.79,682 6.698,683 7.573,684 8.487,685 9.372,686 10.289,687 11.18,688 12.099,689 4.1,695 1,699 1,704 5,705 1,708 1,709 4,711 11,716 1,726 1,731 49,733 12,734 1,735 28,737 52,738 20,739 9,740 1,741 5,742 1,746 4,747 5,752 2,753 1,754 1,755 3,758 4,761 10,762 10,766 1,771 1,775 1,778 1,781 24,782 4,784 5,785 1,790 2,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 25,854 6,856 1,858 1,859 1,860 1,863 1,870 4.1,873 1,874 1,877 12.583,878 9.4,879 5.278,880 3.053,881 1.956,882 1.259,883 0.966,884 4.572,885 9.492,886 3.57,887 4.123,888 4.611,889 5.169,890 5.542,891 5.757,892 5.989,893 6.245,894 6.442,895 6.557,896 1,897 39,898 9.331,900 4.047,901 7.55,902 18.418,904 15.941,905 2.05,906 51.25,908 1,909 1,910 282.506,911 128.138,912 19.91,914 36.145,916 31.278,917 96.861,918 318.651,919 19.91,920 17.65,921 18.894,922 47.381,923 58.064,924 9.567,925 1.358,926 313.784,928 282.506,929 116.771,930 36.145,931 31.278,933 258.964,934 48.687,935 11,937 39.802,938 60.183,939 16.786,940 31.278,941 282.506,942 56.055,943 128.138,946 282.506,947 63.107,948 68.156,950 52.93,951 282.506,952 56.055,953 128.138,955 0.592,956 0.332,957 0.189,958 0.104,959 22,960 9,961 0.058,962 3,963 1,964 1.095,965 3.672,966 216.748,967 0.095,968 21,969 110.096,970 1,974 17.021,975 6.715,976 3.596,978 56.055,979 10.511,980 4.88,983 1.575,984 4.16,987 466.699,988 34.5,993 12.497,997 0.253,999 48.654,1000 54.903,1001 0.271,1002 0.59,1003 0.777,1004 0.854,1005 0.864,1006 0.864,1007 4.85,1008 1.316,1009 5.82,1010 3.366,1011 4.419,1012 4.808,1013 1.903,1014 6.686,1015 4.327,1016 6.052,1017 1.06,1018 7.412,1019 2.912,1020 4.205,1021 4.635,1022 0.325,1023 7.84,1024 4.11,1025 7.37,1026 1,1027 9.11,1028 2.749,1029 6.111,1030 6.896,1031 2.065,1032 10.873,1033 5.95,1034 8.717,1035 0.8,1036 10.872,1037 2.294,1038 6.686,1039 7.506,1040 0.268,1041 12.798,1042 6.516,1043 10.096,1044 0.091,1045 12.674,1046 2.136,1047 8.119,1048 9.288,1049 2.377,1050 15.407,1051 7.902,1052 11.496,1053 -0.252,1054 14.501,1055 0.234,1056 9.033,1057 10.272,1058 0.188,1059 17.621,1060 8.803,1061 12.913,1062 -0.456,1063 16.346,1064 -0.77,1065 10.295,1066 11.851,1067 2.77,1068 20.098,1069 10.033,1070 3.346,1071 -0.575,1072 18.204,1073 -1.3,1074 11.357,1075 13.031,1076 0.125,1077 22.428,1078 11.082,1079 3.05,1080 11.536,1081 20.071,1082 -1.372,1083 12.559,1084 14.518,1085 3.207,1086 24.862,1087 12.263,1088 2.737,1089 10.408,1090 21.946,1091 4.139,1092 13.687,1093 15.803,1094 0.082,1095 27.242,1096 13.38,1097 2.461,1098 9.274,1099 23.827,1100 3.464,1101 14.87,1102 17.248,1103 3.668,1104 29.665,1105 14.55,1106 2.065,1107 7.189,1108 25.712,1109 3.252,1110 16.029,1111 18.592,1112 0.054,1113 32.068,1114 15.699,1115 1.781,1116 6.104,1117 27.602,1118 2.94,1119 17.21,1120 20.019,1121 4.142,1122 34.49,1123 16.871,1124 1.531,1125 5.37,1126 29.495,1127 2.539,1128 18.384,1129 21.395,1130 0.035,1131 36.906,1132 18.038,1133 6630,1134 10076,1135 18.781,1136 32.944,1137 43.086,1138 44.171,1139 43.062,1140 42.361,1141 42.477,1142 51.565,1143 5.875,1144 127.141,1145 40.375,1146 5.548,1147 5.735,1148 6.678,1149 5.466,1150 5.346,1151 7.139,1152 2.555,1153 18.866,1154 5.302,1155 10.859,1156 1.539,1157 1.578,1158 1.538,1159 1.513,1160 1.517,1161 1.842,1162 0.21,1163 4.541,1164 1.442,1165 4.033,1166 4.061,1167 4.275,1168 3.979,1169 7.427,1170 3.944,1171 3.916,1172 3.947,1173 3.852,1174 3.858,1175 4.816,1176 3.846,1177 3.744,1178 3.792,1179 3.658,1180 3.591,1181 4.738,1182 3.586,1183 3.511,1184 3.551,1185 3.546,1186 3.433,1187 4.573,1188 3.39,1189 3.249,1190 3.322,1191 3.096,1192 3.106,1193 4.215,1194 3.087,1195 3.182,1196 3.215,1197 3.069,1198 2.955,1199 3.859,1200 2.978,1201 2.936,1202 3.013,1203 2.786,1204 2.747,1205 3.674,1206 2.729,1207 2.874,1208 3.009,1209 2.72,1210 2.735,1211 3.64,1212 2.715,1213 0.162,1214 0.133,1215 0.246,1216 0.155,1217 0.119,1218 4.548,1219 0.148,1220 3.735,1221 0.046,1222 6.876,1223 0.412,1224 4.328,1225 0.118,1226 3.346,1227 4.139,1228 1.277,1229 11.536,1230 3.302,1231 1.931,1232 1.9,1233 2.066,1234 2.04,1235 1.375,1236 2.049,1237 1.883,1238 1.852,1239 2.048,1240 2.001,1241 1.327,1242 2.02,1243 1.706,1244 1.659,1245 1.886,1246 1.899,1247 1.076,1248 1.902,1249 1.34,1250 1.321,1251 1.576,1252 1.498,1253 0.862,1254 1.519,1255 1.278,1256 1.209,1257 1.526,1258 1.464,1259 0.693,1260 1.506,1261 1.185,1262 1.139,1263 1.417,1264 1.4,1265 0.584,1266 1.393,1267 0.956,1268 0.915,1269 1.36,1270 1.239,1271 0.489,1272 1.308,1273 0.934,1274 0.852,1275 1.278,1276 1.204,1277 0.469,1278 1.23,1279 4.043,1281 5.398,1282 2.398,1283 6.942,1284 4.727,1285 8.574,1286 6.862,1287 10.253,1289 4.305,1295 4.704,1297 5.731,1299 0.27,1300 2.347,1301 0.018,1305 30.454,1306 74.643,1307 162.436,1308 213.737,1309 234.856,1310 237.611,1311 237.611,1312 41.921,1313 7.536,1314 42.43,1315 70.67,1316 23,1317 12.614,1318 3.7,1319 2.907,1320 35.8,1321 84,1322 86,1323 0.209,1324 188.191,1325 325.57,1326 450.947,1327 19237,1329 17.441,1330 0.698,1331 0.626,1332 17.795,1333 15.642,1334 12.017,1335 0.429,1336 0.348,1337 8.907,1338 11.246,1339 8.518,1340 7.038,1341 12.425,1342 9.746,1343 11.653,1344 0.284,1345 0.215,1346 12.269,1347 8.803,1348 9.14,1349 0.172,1350 0.117,1351 10.03,1352 6.188,1353 8.3,1354 0.112,1355 0.066,1356 9.216,1357 4.91,1358 6.477,1359 0.07,1360 0.04,1361 7.431,1362 3.676,1363 0.321,1364 78.706,1365 0.231,1366 23.932,1367 0.595,1368 138,1369 347.622,1370 174.575,1371 354.744,1372 486.28,1373 334,1374 163,1375 337.001,1376 199.477,1377 359.995,1378 532.14,1379 337,1380 4.698}
{0 CHEMBL477999,1 1.486,2 10.241,3 4.797,4 23.009,5 118.421,6 7.393,7 0.485,8 4.101,9 4.209,10 3.722,11 3.73,12 5.079,13 3.668,14 4.698,15 4.864,16 4.163,17 4.175,18 5.605,19 4.096,20 4.989,21 5.179,22 4.239,23 4.37,24 5.887,25 4.245,26 5.15,27 5.405,28 4.187,29 4.379,30 6.001,31 4.207,32 4.969,33 5.185,34 4.088,35 4.235,36 5.919,37 4.091,38 4.843,39 5.045,40 4,41 4.177,42 5.674,43 4.041,44 4.878,45 5.085,46 4.039,47 4.178,48 5.786,49 4.062,50 4.967,51 5.199,52 3.914,53 4.177,54 5.875,55 4.012,56 0.029,57 0.759,58 12.178,59 5.685,60 6.754,61 7.283,62 0.218,63 1.364,64 25.446,65 9.859,66 18.647,67 12.869,68 0.321,69 1.776,70 34.64,71 13.575,72 31.988,73 17.569,74 0.339,75 2.044,76 48.555,77 17.728,78 45.85,79 22.547,80 0.532,81 1.765,82 40.738,83 13.277,84 58.069,85 16.23,86 0.179,87 1.532,88 33.655,89 12.754,90 21.381,91 15.904,92 0.274,93 1.541,94 31.588,95 11.908,96 31.386,97 15.222,98 0.453,99 1.603,100 36.9,101 13.92,102 57.239,103 17.622,104 10,105 49,106 0.244,107 0.559,108 0.734,109 0.821,110 0.85,111 0.862,112 3.409,113 1.014,114 -5.21,115 -5.1,116 -4.78,119 43.6,120 2,121 3,123 1,125 3,127 1,142 7,143 3,146 1,152 1,157 1,162 1,172 16,174 1,175 5,183 22,186 1,187 5,195 17,198 1,199 11,207 11,211 2,212 9,220 6,224 10,232 3,237 9,245 6,249 1,250 7,258 9,263 5,271 10,275 1302,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 17.653,282 21.121,283 11.361,284 20.031,285 16.351,286 16.351,287 16.351,288 16.351,289 16.351,290 13.332,291 26.439,292 5.427,293 17.089,294 4.295,295 2.378,296 1.312,297 0.782,298 0.609,299 0.537,300 4.119,304 1,305 1,306 663,307 2.915,310 51.784,311 285.06,314 102.046,315 112.482,318 1.56,319 23.339,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 297,332 4.549,333 3.735,334 6.876,335 4.328,336 3.346,337 4.431,338 1.277,339 11.537,340 3.302,341 4.496,342 3.323,343 6.582,344 4.068,345 3.095,346 4.139,347 0.86,348 10.504,349 3.049,350 4.14,351 3.082,352 6.482,353 3.922,354 2.981,355 3.266,356 0.8,357 10.129,358 2.757,359 3.857,360 3.072,361 6.239,362 3.659,363 2.7,364 2.998,366 9.233,367 2.586,368 3.522,369 2.689,370 5.345,371 3.154,372 2.171,373 2.864,375 6.653,376 2.126,377 3.355,378 2.277,379 5.147,380 2.999,381 2.002,382 2.518,384 5.982,385 1.987,386 3.118,387 2.218,388 4.948,389 2.685,390 1.754,391 2.427,393 5.337,394 1.618,395 2.997,396 1.74,397 4.177,398 2.618,399 1.618,400 2.093,402 3.794,403 1.614,404 2.768,405 1.618,406 3.969,407 2.359,408 1.439,409 1.9,411 3.27,412 1.312,413 2.498,414 1.4,415 3.792,416 2.264,417 1.267,418 1.498,420 2.816,421 1.261,422 2.334,423 1.275,424 3.603,425 1.91,426 1.06,427 1.245,428 2.749,429 0.892,430 2.286,431 1.199,432 3.582,433 1.882,434 0.888,435 1.204,436 2.294,437 0.878,438 2.124,439 0.989,440 3.324,441 1.692,442 0.799,443 1.056,445 2.073,446 0.691,447 1.334,448 0.549,449 3.234,450 1.083,451 0.111,452 0.129,454 0.284,455 0.107,456 1.033,457 0.325,458 2.852,459 0.741,460 -0.241,461 -0.28,463 -0.726,464 -0.232,465 14.3,466 0.493,467 0.844,468 0.029,469 34.5,470 1.19,471 16,472 0.552,473 18.5,474 0.638,475 30.643,476 1.057,477 30.7,478 0.558,479 23.001,480 0.793,481 6.114,482 0.211,483 7.886,484 0.272,485 0.093,486 0.035,487 0.308,493 0.707,494 1.174,495 0.761,496 0.974,497 0.587,498 0.944,499 1.023,500 0.999,501 0.806,502 0.873,503 0.669,504 0.852,505 1.03,506 1.111,507 0.996,508 1.039,509 1.017,510 1.102,511 0.75,512 1.059,513 1.1,514 1.086,515 0.703,516 0.937,517 1.498,518 1.013,519 1.43,520 1.118,521 1.763,522 1.043,523 0.946,524 1.258,525 1.279,526 1.3,527 0.589,528 1.14,529 1.401,530 1.006,531 1.003,532 0.967,533 1.229,534 1.007,535 1.345,536 0.955,537 1.072,538 0.98,539 1.414,540 1.037,541 6.5,542 0.176,543 3.556,544 2.569,545 1.783,546 1.018,547 0.536,548 0.478,549 0.315,550 0.25,551 10838,552 24038,553 2.162,554 47.3,555 6,556 14,560 4,561 2,564 1.722,565 2.035,566 3.342,567 -0.819,573 81.724,574 1.486,575 3.404,576 4.469,577 4.999,578 5.172,579 5.245,580 2.738,581 4.582,582 4.834,583 3.499,584 1420.6,585 8.432,586 18694,588 1,591 317.975,592 1.503,593 4.79,594 0.197,595 0.008,596 0.073,597 0.052,598 0.039,599 0.025,600 0.013,601 0.012,602 0.009,603 0.01,604 0.439,605 0.33,606 0.88,607 0.506,608 145.377,609 0.02,610 -0.088,611 0.086,612 0.012,613 -0.016,614 0.03,616 0.066,617 0.131,618 0.104,619 0.003,620 0.108,621 -0.042,622 -0.069,623 -0.064,624 -0.077,625 -0.101,626 -0.143,627 0.095,628 -0.061,629 0.064,630 -0.005,631 0.139,632 0.072,633 -0.124,634 0.095,635 -0.206,636 -0.053,637 -0.24,638 -0.099,639 -0.024,640 -0.22,641 -0.151,642 -0.221,643 0.009,644 -0.148,645 -0.137,646 0.013,647 -0.059,648 -0.025,649 -0.065,650 -0.062,651 -0.038,652 -0.011,653 -0.076,654 -0.002,655 -0.04,656 -0.065,657 1.418,658 5.643,659 0.862,660 23.424,661 0.992,662 1.115,663 3.983,664 15.861,665 0.686,666 3.526,667 3.912,668 4.205,669 4.543,670 4.787,671 4.913,672 5.05,673 5.215,674 5.323,675 5.357,676 6.248,677 0.636,678 406.59,679 3.526,680 5.106,681 5.979,682 6.895,683 7.783,684 8.702,685 9.596,686 10.516,687 11.414,688 12.333,689 3.6,695 1,699 1,703 2,704 7,705 1,708 1,709 4,711 16,716 1,726 1,731 55,733 17,734 2,735 33,737 59,738 24,739 13,740 3,741 7,742 1,746 5,747 7,752 2,753 1,754 1,755 3,758 4,761 14,762 10,766 1,771 1,775 1,781 26,782 4,784 5,785 1,790 2,794 0.6,795 2,811 1,812 4,815 1,816 1,839 1,840 3,842 1,844 2,848 29,854 6,856 1,858 1,859 1,860 1,863 1,870 3.6,873 1,874 1,877 14.25,878 10.567,879 6.083,880 3.456,881 3.251,882 1.392,883 0.996,884 4.857,885 11.539,886 3.761,887 4.379,888 4.965,889 5.582,890 6.06,891 6.354,892 6.675,893 6.999,894 7.314,895 7.29,896 0.857,897 49,898 10.817,900 4.747,901 7.52,902 21.381,904 18.736,905 2.02,906 58.583,908 1,909 1,910 306.049,911 152.237,912 19.91,914 36.145,916 31.278,917 120.959,918 342.193,919 19.91,920 17.65,921 18.894,922 66.334,923 58.064,924 14.713,925 1.358,926 337.326,928 306.049,929 140.869,930 36.145,931 31.278,933 282.506,934 48.687,935 11,937 39.802,938 84.281,939 16.786,940 31.278,941 306.049,942 56.055,943 152.237,946 306.049,947 68.253,948 87.108,950 52.93,951 306.049,952 56.055,953 152.237,955 0.595,956 0.345,957 0.199,958 0.109,959 27,960 11,961 0.051,962 3,963 2,964 1.16,965 4.003,966 275.368,967 0.16,968 25,969 136.881,970 1,974 19.054,975 7.393,976 3.678,977 2.571,978 56.055,979 15.056,980 4.943,983 1.578,984 4.174,987 514.34,988 42,993 12.643,997 0.249,999 54.538,1000 61.318,1001 0.257,1002 0.589,1003 0.773,1004 0.865,1005 0.895,1006 0.907,1007 5.043,1008 1.618,1009 6.009,1010 5.337,1011 4.595,1012 5.066,1013 1.903,1014 6.891,1015 4.518,1016 6.265,1017 1.439,1018 7.61,1019 3.794,1020 4.369,1021 4.966,1022 0.325,1023 8.038,1024 4.29,1025 7.597,1026 1.267,1027 9.317,1028 3.27,1029 6.297,1030 7.277,1031 2.065,1032 11.094,1033 6.165,1034 8.962,1035 1.06,1036 11.086,1037 2.816,1038 6.868,1039 8.001,1040 0.268,1041 13.011,1042 6.729,1043 10.359,1044 0.888,1045 12.893,1046 2.749,1047 8.31,1048 9.82,1049 2.377,1050 15.626,1051 8.134,1052 11.778,1053 0.799,1054 14.724,1055 2.294,1056 9.223,1057 10.934,1058 0.188,1059 17.829,1060 9.037,1061 13.214,1062 0.111,1063 16.572,1064 2.073,1065 10.487,1066 12.552,1067 2.77,1068 20.302,1069 10.276,1070 3.346,1071 -0.241,1072 18.431,1073 0.284,1074 11.546,1075 13.854,1076 0.125,1077 22.62,1078 11.324,1079 3.095,1080 11.537,1081 20.299,1082 -0.726,1083 12.745,1084 15.386,1085 3.207,1086 25.046,1087 12.506,1088 2.981,1089 10.504,1090 22.174,1091 4.431,1092 13.868,1093 16.777,1094 0.082,1095 27.413,1096 13.619,1097 2.7,1098 10.129,1099 24.053,1100 4.139,1101 15.047,1102 18.274,1103 3.668,1104 29.826,1105 14.785,1106 2.171,1107 9.233,1108 25.937,1109 3.266,1110 16.199,1111 19.707,1112 0.054,1113 32.217,1114 15.928,1115 2.002,1116 6.653,1117 27.823,1118 2.998,1119 17.374,1120 21.188,1121 4.142,1122 34.629,1123 17.092,1124 1.754,1125 5.982,1126 29.713,1127 2.864,1128 18.54,1129 22.642,1130 0.035,1131 37.034,1132 18.25,1133 10011,1134 15040,1135 22.364,1136 37.705,1137 51.123,1138 52.29,1139 51.451,1140 50.348,1141 50.463,1142 63.531,1143 5.875,1144 153.312,1145 48.36,1146 5.549,1147 5.735,1148 6.565,1149 5.467,1150 5.346,1151 7.431,1152 2.555,1153 18.866,1154 5.302,1155 12.139,1156 1.549,1157 1.585,1158 1.559,1159 1.526,1160 1.529,1161 1.925,1162 0.178,1163 4.646,1164 1.465,1165 4.107,1166 4.131,1167 4.277,1168 4.066,1169 7.427,1170 4.059,1171 4.002,1172 4.024,1173 4.041,1174 3.961,1175 4.902,1176 3.923,1177 3.778,1178 3.828,1179 3.679,1180 3.618,1181 4.793,1182 3.619,1183 3.523,1184 3.564,1185 3.567,1186 3.465,1187 4.578,1188 3.421,1189 3.468,1190 3.513,1191 3.365,1192 3.369,1193 4.333,1194 3.354,1195 3.254,1196 3.321,1197 3.1,1198 3.126,1199 4.215,1200 3.111,1201 3.182,1202 3.215,1203 3.092,1204 2.955,1205 3.92,1206 2.978,1207 3.001,1208 3.069,1209 2.831,1210 2.88,1211 3.701,1212 2.86,1213 0.138,1214 0.113,1215 0.208,1216 0.131,1217 0.101,1218 4.549,1219 0.134,1220 3.735,1221 0.039,1222 6.876,1223 0.35,1224 4.328,1225 0.1,1226 3.346,1227 4.431,1228 1.277,1229 11.537,1230 3.302,1231 2.086,1232 2.067,1233 2.173,1234 2.141,1235 1.384,1236 2.153,1237 1.883,1238 1.852,1239 2.048,1240 2.003,1241 1.375,1242 2.021,1243 1.745,1244 1.697,1245 1.922,1246 1.951,1247 1.202,1248 1.948,1249 1.493,1250 1.451,1251 1.688,1252 1.617,1253 0.922,1254 1.644,1255 1.339,1256 1.32,1257 1.559,1258 1.498,1259 0.693,1260 1.519,1261 1.281,1262 1.218,1263 1.526,1264 1.452,1265 0.69,1266 1.492,1267 1.185,1268 1.14,1269 1.417,1270 1.4,1271 0.584,1272 1.393,1273 1.025,1274 0.964,1275 1.36,1276 1.239,1277 0.503,1278 1.308,1279 4.205,1281 5.572,1282 2.398,1283 7.135,1284 4.727,1285 8.789,1286 6.862,1287 10.488,1289 4.315,1295 4.611,1297 5.843,1299 0.227,1300 2.37,1301 0.003,1305 34.981,1306 81.724,1307 187.206,1308 245.794,1309 274.955,1310 284.465,1311 288.465,1312 46.703,1313 8.288,1314 42.43,1315 70.67,1316 29,1317 12.846,1318 4.17,1319 3.322,1320 39.49,1321 108,1322 97,1323 0.177,1324 213.313,1325 366.23,1326 512.243,1327 51765,1329 20.01,1330 0.69,1331 0.614,1332 20.363,1333 17.797,1334 14,1335 0.424,1336 0.338,1337 10.317,1338 13.229,1339 9.896,1340 8.158,1341 14.408,1342 11.157,1343 13.549,1344 0.277,1345 0.203,1346 14.164,1347 9.955,1348 11.108,1349 0.168,1350 0.109,1351 11.998,1352 7.209,1353 10.202,1354 0.11,1355 0.062,1356 11.118,1357 5.748,1358 8.18,1359 0.069,1360 0.036,1361 9.133,1362 4.323,1363 0.274,1364 90.605,1365 0.211,1366 27.104,1367 0.499,1368 164,1369 397.622,1370 200.575,1371 406.937,1372 565.64,1373 384,1374 197,1375 402.001,1376 233.477,1377 427.665,1378 635.06,1379 402,1380 6.64}
{0 CHEMBL478425,1 1.618,2 10.179,3 3.091,4 9.552,5 110.853,6 7.626,7 0.469,8 4.066,9 4.181,10 3.71,11 3.645,12 5.066,13 3.6,14 4.665,15 4.838,16 4.159,17 4.097,18 5.6,19 4.035,20 4.931,21 5.124,22 4.204,23 4.267,24 5.855,25 4.154,26 5.091,27 5.351,28 4.141,29 4.277,30 5.957,31 4.115,32 4.888,33 5.108,34 4.034,35 4.113,36 5.86,37 3.982,38 4.737,39 4.93,40 3.966,41 4.062,42 5.614,43 3.943,44 4.789,45 4.996,46 3.995,47 4.052,48 5.737,49 3.952,50 4.869,51 5.105,52 3.822,53 4.028,54 5.808,55 3.884,56 0.011,57 0.8,58 11.311,59 5.091,60 6.956,61 6.478,62 0.241,63 1.384,64 24.321,65 8.847,66 21.083,67 11.593,68 0.305,69 1.717,70 32.301,71 11.994,72 33.594,73 15.558,74 0.375,75 1.892,76 47.006,77 15.638,78 47.596,79 20.097,80 0.591,81 1.606,82 38.389,83 11.426,84 59.453,85 13.938,86 0.235,87 1.413,88 30.44,89 10.832,90 20.724,91 13.391,92 0.354,93 1.437,94 29.067,95 9.935,96 34.951,97 12.967,98 0.482,99 1.442,100 33.519,101 11.469,102 58.722,103 15.036,104 10,105 48,106 0.269,107 0.624,108 0.804,109 0.854,110 0.854,111 0.854,112 3.375,113 0.994,114 -3.9,115 -3.85,116 -3.66,119 40.4,120 2,121 3,123 1,125 3,127 1,142 2,143 2,145 1,146 1,151 1,152 1,157 1,161 1,162 1,172 8,174 1,175 7,178 1,180 2,183 9,186 1,187 7,192 2,195 4,198 1,199 11,204 1,207 3,211 2,212 6,215 1,220 3,223 1,224 5,227 1,232 2,236 1,237 4,240 1,242 1,245 4,249 2,250 5,258 6,263 3,268 1,271 5,275 1196,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 17.076,282 21.121,283 10.874,284 19.442,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.998,291 26.439,292 5.201,293 16.781,294 4.082,295 1.951,296 0.866,297 0.567,298 0.567,299 0.567,300 4.085,304 1,305 1,306 639,307 2.915,310 103.328,311 216.754,314 200.097,318 1.548,319 25.458,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 285,332 4.552,333 3.735,334 6.876,335 4.328,336 3.346,337 4.474,338 1.277,339 11.537,340 3.302,341 4.524,342 3.327,343 6.589,344 4.076,345 3.112,346 4.139,347 0.86,348 10.526,349 3.018,350 4.14,351 3.101,352 6.494,353 3.921,354 2.994,355 3.264,356 0.8,357 10.174,358 2.749,359 3.854,360 3.078,361 6.239,362 3.657,363 2.7,364 2.969,366 9.234,367 2.579,368 3.465,369 2.689,370 5.324,371 3.111,372 2.14,373 2.766,375 6.57,376 2.069,377 3.323,378 2.245,379 5.118,380 2.936,381 1.958,382 2.507,384 5.886,385 1.903,386 3.046,387 2.19,388 4.924,389 2.664,390 1.742,391 2.318,393 5.261,394 1.59,395 2.992,396 1.717,397 4.193,398 2.511,399 1.546,400 2.091,402 3.757,403 1.487,404 2.648,405 1.546,406 3.965,407 2.351,408 1.434,409 1.707,411 3.251,412 1.302,413 2.433,414 1.399,415 3.792,416 2.105,417 1.138,418 1.429,420 2.75,421 1.098,422 2.333,423 1.202,424 3.601,425 1.91,426 1.06,427 1.231,428 2.711,429 0.888,430 2.128,431 1.19,432 3.572,433 1.693,434 0.8,435 1.056,436 2.294,437 0.692,438 2.058,439 0.723,440 3.234,441 1.571,442 0.634,443 0.885,445 1.476,446 0.592,447 1.151,448 0.549,449 3.149,450 0.942,451 -0.008,452 -0.009,454 -0.022,455 -0.008,456 1.023,457 0.213,458 2.794,459 0.719,460 -0.261,461 -0.303,463 -0.803,464 -0.249,465 13.6,466 0.486,467 0.844,468 0.03,469 33,470 1.179,471 14,472 0.5,473 19,474 0.679,475 29.458,476 1.052,477 30.2,478 0.581,479 21.39,480 0.764,481 5.807,482 0.207,483 7.693,484 0.275,485 0.098,486 0.037,487 0.324,493 0.777,494 1.317,495 0.743,496 1.011,497 0.589,498 0.952,499 1.001,500 1.025,501 0.78,502 0.868,503 0.663,504 0.831,505 1.024,506 1.189,507 0.998,508 1.087,509 1.017,510 1.143,511 0.793,512 1.021,513 1.116,514 1.088,515 0.719,516 0.928,517 1.458,518 0.931,519 1.461,520 1.111,521 1.787,522 1.026,523 0.923,524 1.221,525 1.336,526 1.356,527 0.622,528 1.178,529 1.258,530 1.019,531 1.012,532 0.999,533 1.258,534 1.036,535 1.19,536 0.948,537 1.037,538 1.006,539 1.414,540 1.06,541 6.5,542 0.168,543 3.556,544 2.674,545 1.525,546 1.036,547 0.546,548 0.47,549 0.286,550 0.241,551 9990,552 23853,553 2.168,554 46.2,555 6,556 9,557 1,558 1,559 1,560 4,561 2,564 1.713,565 2.036,566 3.331,567 -0.323,568 1,569 1,573 84.145,574 1.618,575 3.749,576 4.835,577 5.133,578 5.133,579 5.133,580 2.751,581 4.736,582 4.783,583 3.482,584 1316.16,585 8.326,586 16868.6,588 1,590 1,591 296.423,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.058,598 0.035,599 0.028,600 0.014,601 0.012,602 0.009,603 0.01,604 0.454,605 0.5,606 0.88,607 0.517,608 138.808,609 -0.02,610 -0.157,611 0.084,612 -0.008,613 -0.009,614 0.021,615 -0.007,616 0.068,617 0.144,618 0.119,619 0.016,620 0.13,621 -0.069,622 -0.141,623 -0.073,624 -0.111,625 -0.099,626 -0.178,627 0.053,628 -0.051,629 0.062,630 0.01,631 0.124,632 0.093,633 -0.157,634 0.154,635 -0.219,636 -0.019,637 -0.266,638 -0.078,639 0.013,640 -0.155,641 -0.193,642 -0.238,643 0.004,644 -0.18,645 -0.076,646 0.006,647 -0.069,648 -0.05,649 -0.072,650 -0.091,651 -0.009,652 -0.025,653 -0.081,654 -0.048,655 -0.037,656 -0.083,657 1.428,658 5.598,659 0.857,660 22.429,661 1,662 1.125,663 2.668,664 7.117,665 0.677,666 3.497,667 3.892,668 4.19,669 4.533,670 4.745,671 4.89,672 5.037,673 5.204,674 5.268,675 5.342,676 6.144,677 0.634,678 396.56,679 3.497,680 5.081,681 5.958,682 6.878,683 7.77,684 8.693,685 9.591,686 10.514,687 11.415,688 12.338,689 7.7,695 1,697 1,699 2,703 2,704 4,705 2,706 1,708 1,709 4,711 15,716 1,726 1,731 52,733 16,735 32,737 56,738 21,739 10,742 1,746 5,747 7,752 2,753 1,754 1,755 3,758 4,761 11,762 10,766 1,771 1,775 1,778 1,781 24,782 5,783 1,784 7,785 1,790 4,794 0.6,795 2,805 1,807 1,811 2,812 3,815 2,839 1,840 3,842 1,844 2,848 28,854 6,856 1,858 1,859 1,860 1,863 1,870 3.8,873 1,874 1,877 13.75,878 10.017,879 5.833,880 3.218,881 2.961,882 1.361,883 1,884 4.517,885 11.166,886 3.726,887 4.35,888 4.942,889 5.563,890 5.961,891 6.288,892 6.612,893 6.926,894 6.949,895 7.204,896 0.857,897 46,898 10.432,900 4.606,901 7.574,902 20.47,904 17.933,905 2.074,906 58.083,909 1,910 270.735,911 122.093,912 53.481,914 36.145,916 31.278,917 90.815,918 306.88,919 53.481,920 17.65,921 18.894,922 28,923 88.336,924 37.973,925 13.13,926 278.471,928 270.735,929 144.296,930 36.145,931 31.278,933 247.193,934 48.687,935 11,937 67.35,938 43.375,939 33.571,940 31.278,941 270.735,942 89.626,943 122.093,946 270.735,947 67.395,948 57.822,949 16.786,950 69.716,951 270.735,952 89.626,953 122.093,955 0.599,956 0.347,957 0.199,958 0.106,959 27,960 11,961 0.054,962 3,963 2,964 1.167,965 3.943,966 262.823,967 0.167,968 24,969 130.606,970 1,974 18.262,975 6.926,976 3.408,977 2.071,978 72.84,979 7.919,980 9.3,981 3.259,983 1.56,984 4.031,986 16.786,987 482.454,988 40.5,993 12.598,997 0.238,999 51.974,1000 58.484,1001 0.284,1002 0.658,1003 0.848,1004 0.9,1005 0.9,1006 0.9,1007 5.016,1008 1.546,1009 5.994,1010 5.261,1011 4.575,1012 5.037,1013 1.903,1014 6.882,1015 4.474,1016 6.241,1017 1.434,1018 7.6,1019 3.757,1020 4.369,1021 4.966,1022 0.325,1023 8.038,1024 4.274,1025 7.578,1026 1.138,1027 9.311,1028 3.251,1029 6.286,1030 7.256,1031 2.065,1032 11.093,1033 6.116,1034 8.948,1035 1.06,1036 11.083,1037 2.75,1038 6.878,1039 8.026,1040 0.268,1041 13.017,1042 6.711,1043 10.35,1044 0.8,1045 12.891,1046 2.711,1047 8.311,1048 9.82,1049 2.377,1050 15.63,1051 8.091,1052 11.775,1053 0.634,1054 14.724,1055 2.294,1056 9.238,1057 10.976,1058 0.188,1059 17.838,1060 9.013,1061 13.217,1062 -0.008,1063 16.573,1064 1.476,1065 10.497,1066 12.578,1067 2.77,1068 20.31,1069 10.237,1070 3.346,1071 -0.261,1072 18.434,1073 -0.022,1074 11.564,1075 13.911,1076 0.125,1077 22.631,1078 11.296,1079 3.112,1080 11.537,1081 20.303,1082 -0.803,1083 12.763,1084 15.437,1085 3.207,1086 25.056,1087 12.47,1088 2.994,1089 10.526,1090 22.178,1091 4.474,1092 13.889,1093 16.851,1094 0.082,1095 27.425,1096 13.588,1097 2.7,1098 10.174,1099 24.059,1100 4.139,1101 15.068,1102 18.348,1103 3.668,1104 29.838,1105 14.75,1106 2.14,1107 9.234,1108 25.943,1109 3.264,1110 16.222,1111 19.798,1112 0.054,1113 32.23,1114 15.894,1115 1.958,1116 6.57,1117 27.831,1118 2.969,1119 17.397,1120 21.284,1121 4.142,1122 34.641,1123 17.057,1124 1.742,1125 5.886,1126 29.721,1127 2.766,1128 18.564,1129 22.751,1130 0.035,1131 37.046,1132 18.216,1133 9201,1134 14355,1135 21.671,1136 35.194,1137 50.088,1138 50.939,1139 50.144,1140 49.046,1141 49.209,1142 61.674,1143 5.875,1144 150.851,1145 46.537,1146 5.552,1147 5.735,1148 6.559,1149 5.468,1150 5.346,1151 7.474,1152 2.555,1153 18.866,1154 5.302,1155 11.832,1156 1.565,1157 1.592,1158 1.567,1159 1.533,1160 1.538,1161 1.927,1162 0.184,1163 4.714,1164 1.454,1165 4.121,1166 4.162,1167 4.277,1168 4.019,1169 7.427,1170 4.023,1171 4.004,1172 4.029,1173 4.067,1174 3.95,1175 5.06,1176 3.919,1177 3.773,1178 3.825,1179 3.676,1180 3.606,1181 4.799,1182 3.607,1183 3.517,1184 3.557,1185 3.563,1186 3.447,1187 4.58,1188 3.401,1189 3.41,1190 3.469,1191 3.301,1192 3.267,1193 4.355,1194 3.265,1195 3.197,1196 3.282,1197 3.096,1198 3.02,1199 4.214,1200 3.007,1201 3.182,1202 3.215,1203 3.02,1204 2.955,1205 3.934,1206 2.978,1207 2.923,1208 3.009,1209 2.786,1210 2.693,1211 3.732,1212 2.685,1213 0.142,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.552,1219 0.14,1220 3.735,1221 0.04,1222 6.876,1223 0.361,1224 4.328,1225 0.103,1226 3.346,1227 4.474,1228 1.277,1229 11.537,1230 3.302,1231 1.897,1232 1.867,1233 2.048,1234 2.023,1235 1.375,1236 2.023,1237 1.883,1238 1.852,1239 2.004,1240 2.001,1241 1.32,1242 2.015,1243 1.75,1244 1.699,1245 1.903,1246 1.958,1247 1.06,1248 1.945,1249 1.501,1250 1.444,1251 1.692,1252 1.716,1253 0.901,1254 1.713,1255 1.338,1256 1.317,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.199,1262 1.142,1263 1.477,1264 1.424,1265 0.639,1266 1.453,1267 1.185,1268 1.116,1269 1.417,1270 1.4,1271 0.584,1272 1.393,1273 1,1274 0.939,1275 1.36,1276 1.239,1277 0.469,1278 1.308,1279 4.174,1281 5.549,1282 3.045,1283 7.109,1284 5.416,1285 8.755,1286 7.535,1287 10.447,1289 4.297,1295 4.487,1297 5.793,1299 0.198,1300 2.335,1301 -0.003,1305 32.97,1306 84.145,1307 194.957,1308 251.403,1309 266.913,1310 266.913,1311 266.913,1312 44.762,1313 8.205,1314 71.11,1315 99.35,1316 28,1317 12.848,1318 4.087,1319 3.248,1320 37.58,1321 102,1322 98,1323 0.178,1324 201.051,1325 338.97,1326 482.326,1327 46075,1329 19.303,1330 0.689,1331 0.608,1332 19.656,1333 17.012,1334 13.5,1335 0.422,1336 0.331,1337 9.726,1338 12.595,1339 9.349,1340 7.689,1341 13.908,1342 10.6,1343 13.195,1344 0.275,1345 0.199,1346 13.811,1347 9.53,1348 10.867,1349 0.167,1350 0.106,1351 11.757,1352 6.866,1353 9.988,1354 0.109,1355 0.059,1356 10.904,1357 5.459,1358 7.76,1359 0.068,1360 0.035,1361 8.713,1362 4.018,1363 0.275,1364 88.513,1365 0.215,1366 26.35,1367 0.501,1368 160,1369 417.6,1370 200.072,1371 422.092,1372 585.2,1373 398,1374 193,1375 418.438,1376 233.307,1377 440.929,1378 655.48,1379 414,1380 6.971}
{0 CHEMBL478633,1 1.582,2 10.179,3 4.75,4 22.564,5 117.255,6 7.935,7 0.469,8 4.055,9 4.155,10 3.773,11 3.719,12 5.024,13 3.638,14 4.656,15 4.815,16 4.221,17 4.17,18 5.557,19 4.072,20 4.924,21 5.107,22 4.264,23 4.331,24 5.822,25 4.188,26 5.091,27 5.342,28 4.193,29 4.336,30 5.938,31 4.143,32 4.861,33 5.066,34 4.09,35 4.152,36 5.828,37 4,38 4.719,39 4.896,40 4.053,41 4.125,42 5.568,43 3.975,44 4.762,45 4.952,46 4.113,47 4.133,48 5.676,49 3.989,50 4.861,51 5.085,52 3.871,53 4.097,54 5.772,55 3.922,56 0.018,57 0.727,58 11.267,59 5.51,60 5.914,61 6.773,62 0.213,63 1.332,64 25.456,65 9.992,66 17.59,67 12.185,68 0.308,69 1.696,70 33.257,71 13.247,72 30.288,73 16.189,74 0.344,75 1.99,76 51.928,77 18.305,78 43.86,79 21.589,80 0.541,81 1.647,82 39.894,83 12.58,84 54.623,85 14.085,86 0.173,87 1.394,88 33.136,89 12.327,90 17.277,91 14.019,92 0.251,93 1.438,94 33.358,95 11.835,96 26.974,97 13.609,98 0.419,99 1.459,100 34.599,101 13.225,102 52.984,103 15.957,104 10,105 48,106 0.263,107 0.593,108 0.779,109 0.847,110 0.854,111 0.854,112 3.375,113 1.08,114 -4.86,115 -4.77,116 -4.48,119 42.3,120 2,121 3,123 1,125 3,127 1,142 4,143 2,146 1,151 1,152 2,157 1,162 1,172 10,174 1,175 5,183 15,186 1,187 5,195 10,198 1,199 10,207 6,211 2,212 7,220 4,224 7,232 2,237 7,245 5,249 1,250 6,258 7,263 4,271 7,275 1196,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 17.076,282 21.121,283 10.874,284 19.497,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.998,291 26.439,292 5.201,293 16.876,294 4.118,295 2.136,296 1.02,297 0.606,298 0.567,299 0.567,300 4.085,304 1,305 1,306 639,307 2.915,310 103.328,311 216.754,314 200.097,318 1.548,319 22.842,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 285,332 4.552,333 3.735,334 6.876,335 4.328,336 3.346,337 4.474,338 1.277,339 11.537,340 3.302,341 4.524,342 3.327,343 6.589,344 4.066,345 3.112,346 4.139,347 0.86,348 10.526,349 2.98,350 4.14,351 3.101,352 6.494,353 3.917,354 2.994,355 3.264,356 0.8,357 10.174,358 2.744,359 3.854,360 3.078,361 6.239,362 3.656,363 2.7,364 2.969,366 9.234,367 2.577,368 3.465,369 2.689,370 5.324,371 3.113,372 2.14,373 2.766,375 6.57,376 2.071,377 3.323,378 2.245,379 5.118,380 2.944,381 1.958,382 2.507,384 5.886,385 1.916,386 3.046,387 2.19,388 4.924,389 2.669,390 1.742,391 2.318,393 5.261,394 1.599,395 2.992,396 1.717,397 4.193,398 2.469,399 1.546,400 2.091,402 3.757,403 1.408,404 2.648,405 1.546,406 3.965,407 2.357,408 1.434,409 1.707,411 3.251,412 1.309,413 2.433,414 1.399,415 3.792,416 2.103,417 1.138,418 1.429,420 2.75,421 1.089,422 2.333,423 1.202,424 3.601,425 1.909,426 1.06,427 1.231,428 2.711,429 0.888,430 2.128,431 1.19,432 3.572,433 1.692,434 0.8,435 1.056,436 2.294,437 0.692,438 2.058,439 0.723,440 3.234,441 1.508,442 0.634,443 0.885,445 1.476,446 0.539,447 1.151,448 0.549,449 3.149,450 0.936,451 -0.008,452 -0.009,454 -0.022,455 -0.008,456 1.023,457 0.213,458 2.794,459 0.718,460 -0.261,461 -0.303,463 -0.803,464 -0.248,465 14.133,466 0.505,467 0.844,468 0.03,469 32,470 1.143,471 14,472 0.5,473 18,474 0.643,475 31.225,476 1.115,477 29.667,478 0.571,479 19.624,480 0.701,481 5.383,482 0.192,483 8.116,484 0.29,485 0.094,486 0.035,487 0.311,493 0.707,494 1.127,495 0.723,496 0.894,497 0.576,498 0.905,499 1.022,500 0.956,501 0.803,502 0.83,503 0.655,504 0.81,505 1.048,506 1.092,507 0.94,508 0.983,509 1.033,510 1.095,511 0.774,512 1.056,513 1.113,514 1.087,515 0.704,516 0.934,517 1.581,518 1.011,519 1.369,520 1.103,521 1.878,522 1.03,523 0.953,524 1.279,525 1.294,526 1.344,527 0.614,528 1.167,529 1.297,530 1.038,531 0.973,532 0.984,533 1.274,534 1.033,535 1.289,536 0.923,537 0.955,538 0.921,539 1.451,540 1.034,541 6.5,542 0.168,543 3.556,544 2.674,545 1.525,546 1.036,547 0.546,548 0.47,549 0.286,550 0.241,551 9990,552 23723,553 2.168,554 46.2,555 6,556 11,557 1,560 4,561 2,564 1.713,565 2.036,566 3.331,567 -0.778,573 82.276,574 1.582,575 3.564,576 4.681,577 5.094,578 5.133,579 5.133,580 2.751,581 4.736,582 4.783,583 3.482,584 1316.16,585 8.326,586 16868.6,588 1,591 296.423,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.058,598 0.035,599 0.028,600 0.014,601 0.012,602 0.009,603 0.01,604 0.454,605 0.33,606 0.88,607 0.517,608 138.808,609 0.013,610 -0.076,611 0.087,612 0.035,613 -0.015,614 0.037,615 -0.012,616 0.094,617 0.116,618 0.124,619 0.009,620 0.134,621 -0.056,622 -0.068,623 -0.058,624 -0.063,625 -0.105,626 -0.154,627 0.085,628 -0.059,629 0.025,630 -0.014,631 0.144,632 0.081,633 -0.151,634 0.108,635 -0.208,636 -0.06,637 -0.263,638 -0.1,639 -0.014,640 -0.242,641 -0.157,642 -0.249,643 0.002,644 -0.177,645 -0.126,646 -0.014,647 -0.008,648 -0.022,649 -0.079,650 -0.088,651 -0.028,652 -0.011,653 -0.064,655 -0.038,656 -0.067,657 1.413,658 5.61,659 0.857,660 22.429,661 0.995,662 1.112,663 3.634,664 13.207,665 0.704,666 3.497,667 3.892,668 4.19,669 4.533,670 4.745,671 4.89,672 5.037,673 5.204,674 5.268,675 5.342,676 6.144,677 0.647,678 412.62,679 3.497,680 5.081,681 5.958,682 6.878,683 7.77,684 8.693,685 9.591,686 10.514,687 11.415,688 12.338,689 3.8,695 1,699 1,703 2,704 5,705 1,708 2,709 4,711 15,716 1,726 1,731 52,733 16,734 1,735 32,737 56,738 22,739 11,740 2,741 4,742 1,746 5,747 7,752 2,753 1,754 1,755 3,758 4,761 12,762 10,766 1,771 1,775 1,781 24,782 4,784 6,785 2,790 2,794 0.6,795 2,811 2,812 3,815 2,839 1,840 3,842 2,844 2,848 28,854 6,856 1,858 1,859 1,860 1,863 1,865 1,870 3.8,873 1,874 1,877 13.75,878 10.067,879 5.833,880 3.247,881 2.961,882 1.361,883 1.001,884 4.789,885 11.166,886 3.726,887 4.35,888 4.942,889 5.563,890 5.961,891 6.288,892 6.612,893 6.926,894 6.949,895 7.204,896 0.857,897 46,898 10.453,900 4.613,901 7.515,902 20.705,904 18.283,905 2.015,906 56.417,908 1,909 1,910 282.506,911 160.908,912 19.91,914 36.145,916 62.555,917 98.352,918 318.651,919 19.91,920 17.65,921 18.894,922 45.554,923 58.064,924 12.14,925 13.875,926 333.291,928 282.506,929 118.262,930 36.145,931 62.555,933 258.964,934 48.687,935 11,937 39.802,938 61.675,939 16.786,940 62.555,941 282.506,942 56.055,943 160.908,946 282.506,947 97.703,948 66.329,950 52.93,951 282.506,952 56.055,953 160.908,955 0.599,956 0.347,957 0.199,958 0.106,959 27,960 11,961 0.054,962 3,963 2,964 1.167,965 3.943,966 262.823,967 0.167,968 24,969 132.606,970 2,974 18.688,975 7.176,976 3.555,977 2.673,978 56.055,979 10.864,980 4.933,983 3.388,984 4.233,987 499.469,988 40.5,993 12.61,997 0.253,999 51.731,1000 57.823,1001 0.278,1002 0.625,1003 0.821,1004 0.894,1005 0.9,1006 0.9,1007 5.016,1008 1.546,1009 5.994,1010 5.261,1011 4.575,1012 5.037,1013 1.903,1014 6.882,1015 4.464,1016 6.241,1017 1.434,1018 7.6,1019 3.757,1020 4.369,1021 4.966,1022 0.325,1023 8.038,1024 4.265,1025 7.578,1026 1.138,1027 9.311,1028 3.251,1029 6.286,1030 7.256,1031 2.065,1032 11.093,1033 6.102,1034 8.948,1035 1.06,1036 11.083,1037 2.75,1038 6.878,1039 8.026,1040 0.268,1041 13.017,1042 6.692,1043 10.35,1044 0.8,1045 12.891,1046 2.711,1047 8.311,1048 9.82,1049 2.377,1050 15.63,1051 8.071,1052 11.775,1053 0.634,1054 14.724,1055 2.294,1056 9.238,1057 10.976,1058 0.188,1059 17.838,1060 8.987,1061 13.217,1062 -0.008,1063 16.573,1064 1.476,1065 10.497,1066 12.578,1067 2.77,1068 20.31,1069 10.211,1070 3.346,1071 -0.261,1072 18.434,1073 -0.022,1074 11.564,1075 13.911,1076 0.125,1077 22.631,1078 11.265,1079 3.112,1080 11.537,1081 20.303,1082 -0.803,1083 12.763,1084 15.437,1085 3.207,1086 25.056,1087 12.439,1088 2.994,1089 10.526,1090 22.178,1091 4.474,1092 13.889,1093 16.851,1094 0.082,1095 27.425,1096 13.554,1097 2.7,1098 10.174,1099 24.059,1100 4.139,1101 15.068,1102 18.348,1103 3.668,1104 29.838,1105 14.716,1106 2.14,1107 9.234,1108 25.943,1109 3.264,1110 16.222,1111 19.798,1112 0.054,1113 32.23,1114 15.859,1115 1.958,1116 6.57,1117 27.831,1118 2.969,1119 17.397,1120 21.284,1121 4.142,1122 34.641,1123 17.022,1124 1.742,1125 5.886,1126 29.721,1127 2.766,1128 18.564,1129 22.751,1130 0.035,1131 37.046,1132 18.18,1133 9201,1134 14319,1135 21.671,1136 36.591,1137 50.088,1138 50.939,1139 50.144,1140 49.007,1141 49.209,1142 61.674,1143 5.875,1144 150.851,1145 46.226,1146 5.552,1147 5.735,1148 6.559,1149 5.47,1150 5.346,1151 7.474,1152 2.555,1153 18.866,1154 5.302,1155 11.832,1156 1.565,1157 1.592,1158 1.567,1159 1.531,1160 1.538,1161 1.927,1162 0.184,1163 4.714,1164 1.445,1165 4.099,1166 4.112,1167 4.329,1168 4.116,1169 7.427,1170 4.064,1171 4,1172 4.019,1173 4.266,1174 3.964,1175 4.873,1176 3.924,1177 3.775,1178 3.823,1179 3.681,1180 3.614,1181 4.79,1182 3.614,1183 3.518,1184 3.558,1185 3.567,1186 3.456,1187 4.578,1188 3.408,1189 3.403,1190 3.449,1191 3.447,1192 3.329,1193 4.217,1194 3.291,1195 3.182,1196 3.215,1197 3.136,1198 3.068,1199 4.195,1200 3.009,1201 3.146,1202 3.207,1203 3.095,1204 2.955,1205 3.771,1206 2.978,1207 2.923,1208 3.009,1209 2.812,1210 2.826,1211 3.674,1212 2.79,1213 0.142,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.552,1219 0.14,1220 3.735,1221 0.04,1222 6.876,1223 0.361,1224 4.328,1225 0.103,1226 3.346,1227 4.474,1228 1.277,1229 11.537,1230 3.302,1231 1.939,1232 1.92,1233 2.048,1234 2.022,1235 1.375,1236 2.028,1237 1.883,1238 1.852,1239 2.035,1240 2,1241 1.325,1242 2.019,1243 1.759,1244 1.718,1245 1.917,1246 1.93,1247 1.131,1248 1.939,1249 1.478,1250 1.454,1251 1.651,1252 1.589,1253 0.946,1254 1.631,1255 1.338,1256 1.317,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.186,1262 1.141,1263 1.417,1264 1.4,1265 0.663,1266 1.393,1267 1.155,1268 1.104,1269 1.385,1270 1.3,1271 0.584,1272 1.358,1273 0.965,1274 0.929,1275 1.359,1276 1.239,1277 0.469,1278 1.308,1279 4.174,1281 5.549,1282 3.045,1283 7.109,1284 5.416,1285 8.755,1286 7.535,1287 10.447,1289 4.318,1295 4.687,1297 5.823,1299 0.252,1300 2.374,1301 0.009,1305 33.641,1306 82.276,1307 185.348,1308 243.403,1309 264.913,1310 266.913,1311 266.913,1312 44.38,1313 8.205,1314 42.43,1315 98.91,1316 28,1317 12.848,1318 4.087,1319 3.248,1320 37.58,1321 102,1322 98,1323 0.178,1324 208.186,1325 352.78,1326 499.734,1327 46075,1329 19.303,1330 0.689,1331 0.638,1332 20.01,1333 17.867,1334 13.5,1335 0.422,1336 0.36,1337 9.879,1338 12.263,1339 9.388,1340 7.718,1341 14.362,1342 11.521,1343 13.195,1344 0.275,1345 0.218,1346 14.362,1347 10.485,1348 10.867,1349 0.167,1350 0.122,1351 12.464,1352 7.902,1353 9.988,1354 0.109,1355 0.07,1356 11.691,1357 6.444,1358 7.76,1359 0.068,1360 0.042,1361 9.365,1362 4.755,1363 0.275,1364 92.146,1365 0.215,1366 26.35,1367 0.501,1368 160,1369 398.482,1370 218.857,1371 426.164,1372 589.28,1373 402,1374 193,1375 402.401,1376 249.52,1377 441.282,1378 656.34,1379 414,1380 6.903}
{0 CHEMBL483321,1 1.549,2 16.286,3 4.201,4 17.647,5 136.188,6 7.574,7 0.605,8 4.219,9 4.334,10 3.798,11 3.75,12 5.372,13 3.741,14 4.713,15 4.881,16 4.114,17 4.088,18 5.834,19 4.065,20 4.892,21 5.066,22 4.171,23 4.211,24 6.035,25 4.164,26 4.97,27 5.189,28 4.054,29 4.205,30 5.978,31 4.122,32 4.93,33 5.153,34 4.037,35 4.194,36 5.95,37 4.11,38 4.912,39 5.13,40 4.015,41 4.194,42 5.905,43 4.104,44 4.919,45 5.161,46 3.979,47 4.16,48 5.887,49 4.063,50 4.817,51 5.03,52 3.921,53 4.071,54 5.859,55 3.981,56 0.036,57 0.9,58 12.045,59 5.384,60 9.303,61 6.875,62 0.31,63 1.382,64 22.644,65 8.603,66 31.037,67 11.199,68 0.486,69 1.615,70 27.549,71 10.039,72 53.629,73 13.253,74 0.396,75 1.673,76 31.843,77 11.542,78 48.311,79 15.663,80 0.388,81 1.638,82 30.406,83 10.993,84 50.395,85 15.232,86 0.308,87 1.621,88 29.417,89 10.988,90 40.691,91 15.156,92 0.336,93 1.617,94 30.451,95 10.971,96 41.058,97 15.655,98 0.304,99 1.472,100 26.418,101 10.123,102 38.738,103 13.742,104 24,105 51,106 0.246,107 0.623,108 0.817,109 0.894,110 0.899,111 0.899,112 3.588,113 0.882,114 -4.15,115 -4.09,116 -3.87,119 43.5,120 2,124 1,125 2,135 2,142 8,143 3,144 3,145 1,146 2,147 1,148 1,158 1,172 10,174 1,175 8,178 2,180 4,183 11,186 2,187 8,190 1,192 4,195 10,199 6,202 1,204 4,207 7,212 10,215 1,217 4,220 9,224 10,229 3,232 10,236 1,237 6,242 1,245 11,250 6,253 3,254 1,255 1,258 11,262 1,263 5,271 5,275 2673,276 23.817,277 23.817,278 23.817,279 23.817,280 23.817,281 20.668,282 26.984,283 14.393,284 24.396,285 18.757,286 18.757,287 18.757,288 18.757,289 18.757,290 14.02,291 35.961,292 6.834,293 19.599,294 4.405,295 2.03,296 0.811,297 0.327,298 0.295,299 0.295,300 4.286,305 1,306 1212,307 3.937,311 449.957,315 176.052,318 2.784,319 27.117,322 1,323 0.83,324 0.83,325 0.6,326 0.5,327 1,328 1,329 0.82,330 75.5,331 570,332 4.532,333 3.601,334 6.536,335 4.053,336 3.081,337 4.47,338 2.032,339 10.341,340 2.997,341 4.264,342 3.219,343 6.104,344 3.857,345 2.895,346 3.911,347 0.9,348 8.927,349 2.787,350 3.989,351 3.114,352 5.475,353 3.542,354 2.583,355 3.595,356 0.86,357 7.338,358 2.468,359 3.792,360 2.756,361 5.355,362 3.401,363 2.421,364 3.232,365 0.546,366 6.918,367 2.371,368 3.655,369 2.548,370 5.246,371 3.347,372 2.36,373 2.966,374 0.4,375 6.599,376 2.318,377 3.598,378 2.384,379 5.028,380 3.199,381 2.236,382 2.826,384 6.063,385 2.143,386 3.403,387 2.268,388 5.006,389 2.986,390 2.034,391 2.738,393 5.797,394 1.928,395 3.282,396 2.038,397 4.864,398 2.824,399 1.861,400 2.581,402 5.512,403 1.789,404 2.975,405 1.956,406 4.149,407 2.458,408 1.504,409 2.16,411 3.667,412 1.433,413 2.821,414 1.884,415 4.097,416 2.4,417 1.414,418 1.95,420 3.545,421 1.39,422 2.788,423 1.643,424 3.604,425 2.323,426 1.383,427 1.796,428 2.999,429 1.297,430 2.5,431 1.425,432 3.425,433 1.959,434 1.027,435 1.5,436 2.286,437 0.956,438 2.388,439 1.018,440 3.414,441 1.931,442 1,443 1.341,445 2.275,446 0.925,447 2.151,448 1,449 3.128,450 1.869,451 0.94,452 1.103,454 1.745,455 0.858,456 1.79,457 0.849,458 3.081,459 1.422,460 0.483,461 0.59,463 1.157,464 0.448,465 16.5,466 0.471,467 0.746,468 0.021,469 48.75,470 1.393,471 26,472 0.743,473 22.75,474 0.65,475 27.031,476 0.772,477 36.9,478 0.595,479 39.172,480 1.119,481 10.089,482 0.288,483 6.923,484 0.198,485 0.111,487 0.303,493 0.844,494 1.323,495 0.773,496 1.106,497 0.685,498 0.952,499 1.083,500 1.022,501 0.856,502 0.912,503 0.748,504 0.86,505 1.108,506 1.123,507 1.072,508 1.052,509 1.13,510 1.053,511 1.093,512 1.028,513 1.032,514 0.996,515 0.989,516 1.007,517 0.924,518 0.985,519 0.985,520 0.935,521 1.067,522 0.961,523 0.902,524 1.069,525 1.015,526 1.014,527 0.759,528 1.028,529 0.699,530 0.955,531 0.921,532 0.942,533 0.661,534 0.951,535 0.82,536 1.034,537 1.063,538 1.171,539 0.978,540 1.158,541 7,542 0.165,543 3.333,544 1.688,545 1.942,546 0.681,547 0.768,548 0.568,549 0.3,550 0.325,551 20240,552 56117,553 2.075,554 43.5,555 3,556 17,558 2,559 2,560 3,564 1.764,565 1.963,566 3.939,567 0.162,573 96.032,574 1.549,575 3.924,576 5.143,577 5.627,578 5.66,579 5.66,580 3.476,581 4.958,582 5.091,583 4.125,584 2454.23,585 8.928,586 40836.7,591 369.16,592 1.316,593 5.07,594 0.184,595 0.005,596 0.065,597 0.032,598 0.042,599 0.015,600 0.017,601 0.013,602 0.008,603 0.009,604 0.391,605 0.33,606 0.88,607 1.53,608 193.894,609 -0.043,610 -0.171,611 0.051,612 -0.076,613 -0.067,614 -0.009,615 -0.012,616 0.057,617 0.069,618 0.076,619 0.037,620 0.08,621 0.009,622 -0.054,623 -0.135,624 -0.076,625 -0.047,626 -0.119,627 -0.114,628 -0.04,629 -0.058,630 -0.006,631 -0.079,632 -0.023,633 -0.069,634 0.024,635 -0.025,636 0.053,637 -0.076,638 0.026,639 -0.107,640 -0.06,641 -0.071,642 -0.015,643 -0.072,644 -0.035,645 0.006,646 0.049,647 0.04,648 0.044,649 0.019,650 0.052,651 0.029,652 -0.015,653 -0.118,654 -0.181,655 -0.043,656 -0.177,657 1.821,658 4.491,659 0.629,660 52.617,661 1.003,662 1.124,663 2.919,664 8.523,665 0.674,666 3.664,667 3.951,668 4.174,669 4.407,670 4.663,671 4.691,672 4.836,673 4.997,674 5.118,675 5.193,676 9.067,677 0.646,678 469.59,679 3.664,680 5.187,681 6.014,682 6.87,683 7.716,684 8.578,685 9.434,686 10.3,687 11.163,688 12.032,689 8.1,696 1,697 1,699 3,703 2,704 10,705 3,709 7,711 23,724 1,729 1,731 62,733 25,734 2,735 38,737 65,738 27,739 19,740 6,741 6,742 2,746 4,747 5,752 2,761 22,762 5,766 2,771 1,773 2,775 1,781 27,782 8,783 2,784 8,790 5,794 0.75,795 3,805 1,806 1,812 4,816 1,826 1,831 2,839 1,840 3,844 3,848 35,854 2,855 2,856 2,870 4.8,873 1,874 1,875 1,877 17.833,878 12.1,879 7.833,880 3.461,881 4.854,882 1.591,883 0.98,884 8.04,885 13.066,886 3.961,887 4.559,888 5.121,889 5.699,890 6.308,891 6.568,892 7.001,893 7.466,894 7.899,895 8.171,896 1,897 52,898 12.851,900 5.267,901 7.719,902 24.43,904 19.166,905 2.219,906 77.667,910 294.278,911 181.781,912 86.378,914 47.145,917 181.781,918 341.422,919 86.378,920 28.533,921 24.709,922 94.762,923 114.748,924 73.765,925 2.328,926 270.735,928 294.278,929 268.159,930 47.145,933 294.278,934 36.145,935 11,937 82.937,938 115.913,939 69.309,941 294.278,942 133.523,943 181.781,946 294.278,947 40.819,948 140.962,949 36.022,950 97.501,951 294.278,952 133.523,953 181.781,955 0.57,956 0.322,957 0.169,958 0.094,959 22,960 10,961 0.138,962 9,963 1,964 1.091,965 4.716,966 312.44,967 0.091,968 22,969 179.525,974 24.336,975 11.563,976 6.631,977 1.721,978 133.523,979 18.899,980 13.105,984 5.946,986 36.022,987 609.582,988 51.5,993 11.491,995 3.83,997 -0.155,999 62.211,1000 69.687,1001 0.26,1002 0.659,1003 0.864,1004 0.945,1005 0.951,1006 0.951,1007 5.169,1008 1.861,1009 5.974,1010 5.797,1011 4.635,1012 5.247,1013 2.488,1014 6.725,1015 4.557,1016 6.371,1017 1.504,1018 7.493,1019 5.512,1020 4.111,1021 4.997,1022 1.593,1023 7.486,1024 4.028,1025 7.665,1026 1.414,1027 9.107,1028 3.667,1029 6.172,1030 7.453,1031 3.32,1032 10.559,1033 6.028,1034 8.994,1035 1.383,1036 10.779,1037 3.545,1038 6.447,1039 8.021,1040 3.201,1041 12.157,1042 6.293,1043 10.351,1044 1.027,1045 12.487,1046 2.999,1047 7.962,1048 9.945,1049 4.508,1050 14.742,1051 7.759,1052 11.731,1053 1,1054 14.222,1055 2.286,1056 8.633,1057 10.932,1058 4.754,1059 16.724,1060 8.411,1061 13.127,1062 0.94,1063 15.978,1064 2.275,1065 9.908,1066 12.616,1067 5.82,1068 19.136,1069 9.647,1070 3.081,1071 0.483,1072 17.75,1073 1.745,1074 10.787,1075 13.834,1076 6.253,1077 21.301,1078 10.501,1079 2.895,1080 10.341,1081 19.536,1082 1.157,1083 11.956,1084 15.404,1085 7.18,1086 23.65,1087 11.637,1088 2.583,1089 8.927,1090 21.333,1091 4.47,1092 12.943,1093 16.748,1094 7.72,1095 25.9,1096 12.597,1097 2.421,1098 7.338,1099 23.141,1100 3.911,1101 14.067,1102 18.266,1103 8.563,1104 28.229,1105 13.69,1106 2.36,1107 6.918,1108 24.957,1109 3.595,1110 15.111,1111 19.677,1112 9.167,1113 30.519,1114 14.706,1115 2.236,1116 6.599,1117 26.78,1118 3.232,1119 16.218,1120 21.173,1121 9.96,1122 32.843,1123 15.785,1124 2.034,1125 6.063,1126 28.61,1127 2.966,1128 17.291,1129 22.62,1130 10.603,1131 35.152,1132 16.83,1133 19478,1134 32566,1135 25.542,1136 41.767,1137 55.955,1138 56.907,1139 56.87,1140 55.214,1141 55.313,1142 74.611,1143 9.474,1144 152.226,1145 53.036,1146 5.377,1147 5.601,1148 6.315,1149 5.132,1150 5.081,1151 7.47,1152 3.636,1153 17.186,1154 4.997,1155 16.95,1156 1.472,1157 1.498,1158 1.497,1159 1.453,1160 1.456,1161 1.963,1162 0.249,1163 4.006,1164 1.396,1165 4.087,1166 4.119,1167 4.053,1168 4.003,1169 7.429,1170 4.01,1171 3.944,1172 3.967,1173 3.896,1174 3.858,1175 5.085,1176 3.863,1177 3.83,1178 3.869,1179 3.769,1180 3.735,1181 4.975,1182 3.739,1183 3.712,1184 3.761,1185 3.626,1186 3.527,1187 4.736,1188 3.539,1189 3.533,1190 3.572,1191 3.455,1192 3.325,1193 4.609,1194 3.355,1195 3.332,1196 3.397,1197 3.21,1198 3.14,1199 4.548,1200 3.149,1201 3.217,1202 3.286,1203 3.095,1204 3.035,1205 4.308,1206 3.034,1207 3.179,1208 3.258,1209 2.999,1210 3.017,1211 4.222,1212 2.999,1213 0.119,1214 0.095,1215 0.172,1216 0.107,1217 0.081,1218 4.532,1219 0.118,1220 3.601,1221 0.053,1222 6.536,1223 0.272,1224 4.053,1225 0.079,1226 3.081,1227 4.47,1228 2.032,1229 10.341,1230 2.997,1231 2.031,1232 2.005,1233 2.099,1234 2.132,1235 1.221,1236 2.123,1237 1.91,1238 1.889,1239 2.012,1240 2.02,1241 1.129,1242 2.017,1243 1.81,1244 1.775,1245 1.938,1246 1.93,1247 0.994,1248 1.936,1249 1.64,1250 1.591,1251 1.816,1252 1.867,1253 0.946,1254 1.849,1255 1.452,1256 1.415,1257 1.673,1258 1.69,1259 0.752,1260 1.685,1261 1.288,1262 1.225,1263 1.555,1264 1.531,1265 0.618,1266 1.534,1267 1.201,1268 1.132,1269 1.52,1270 1.431,1271 0.584,1272 1.464,1273 1.196,1274 1.121,1275 1.48,1276 1.419,1277 0.524,1278 1.453,1279 4.344,1281 5.638,1283 7.124,1285 8.701,1287 10.328,1289 5.425,1295 0.467,1296 6.157,1297 10.781,1305 40.046,1306 96.032,1307 243.28,1308 318.896,1309 348.896,1310 350.896,1311 350.896,1312 56.08,1313 8.212,1314 98.26,1315 98.26,1316 24,1317 12.578,1318 4.7,1319 3.858,1320 59.763,1321 185,1322 223,1323 0.152,1324 248.094,1325 429.67,1326 597.11,1327 50363,1329 24.623,1330 0.704,1331 0.569,1332 24.623,1333 19.909,1334 17.012,1335 0.448,1336 0.294,1337 10.993,1338 16.321,1339 10.623,1340 8.912,1341 17.012,1342 11.168,1343 14.986,1344 0.294,1345 0.156,1346 14.986,1347 7.981,1348 12.116,1349 0.189,1350 0.081,1351 12.116,1352 5.212,1353 9.825,1354 0.121,1355 0.043,1356 9.825,1357 3.447,1358 8.179,1359 0.078,1360 0.022,1361 8.179,1362 2.33,1363 0.247,1364 106.9,1365 0.198,1366 33.048,1367 0.393,1368 178,1369 544.808,1370 195.684,1371 525.652,1372 718.87,1373 494,1374 204,1375 525.974,1376 221.519,1377 536.926,1378 773.19,1379 501,1380 5}
{0 CHEMBL489058,1 1.546,2 17.436,3 6.032,4 36.38,5 163.431,6 7.862,7 0.512,8 4.347,9 4.473,10 4.001,11 3.943,12 5.409,13 3.891,14 4.89,15 5.082,16 4.379,17 4.339,18 5.845,19 4.264,20 5.134,21 5.348,22 4.521,23 4.537,24 6.062,25 4.405,26 5.218,27 5.455,28 4.329,29 4.518,30 6.135,31 4.362,32 5.21,33 5.48,34 4.308,35 4.453,36 6.101,37 4.321,38 5.083,39 5.314,40 4.328,41 4.433,42 6.082,43 4.305,44 5.047,45 5.283,46 4.227,47 4.358,48 6.041,49 4.207,50 4.922,51 5.168,52 4.212,53 4.233,54 5.904,55 4.084,56 0.036,57 1.085,58 14.277,59 6.295,60 13.037,61 8.366,62 0.279,63 1.793,64 29.797,65 10.248,66 21.894,67 13.999,68 0.332,69 2.153,70 45.222,71 15.363,72 34.83,73 19.943,74 0.392,75 2.24,76 50.197,77 17.823,78 52.486,79 23.472,80 0.438,81 2.107,82 47.93,83 16.165,84 51.93,85 22.982,86 0.23,87 1.924,88 38.78,89 14.517,90 46.059,91 19.929,92 0.347,93 1.805,94 42.305,95 14.195,96 55.297,97 19.196,98 0.349,99 1.615,100 37.842,101 12.652,102 51.316,103 16.975,104 21,105 59,106 0.239,107 0.594,108 0.771,109 0.846,110 0.855,111 0.872,112 3.693,113 1.004,114 -4.53,115 -4.45,116 -4.19,119 42.3,120 1,121 1,124 1,125 6,135 2,142 6,143 3,144 4,145 2,146 1,151 1,158 1,162 1,172 8,174 1,175 8,180 4,183 12,186 1,187 3,192 2,195 12,198 1,199 6,202 2,204 3,207 11,212 11,217 2,220 7,224 10,229 1,232 9,237 5,240 2,242 1,245 9,249 1,250 5,255 1,258 8,263 9,271 7,275 3593,276 26.842,277 26.842,278 26.842,279 26.842,280 26.842,281 23.857,282 29.529,283 15.812,284 27.695,285 21.102,286 21.102,287 21.102,288 21.102,289 21.102,290 16.55,291 37.247,292 7.364,293 22.555,294 4.604,295 2.303,296 1.155,297 0.669,298 0.613,299 0.5,300 4.399,301 1,305 1,306 1480,307 3.742,310 120.838,311 503.642,315 196.035,318 3.011,319 23.904,322 0.75,323 0.83,324 0.67,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 81.833,331 680,332 4.607,333 4.593,334 6.713,335 4.145,336 3.165,337 4.539,338 2.95,339 10.929,340 3.101,341 4.303,342 4.073,343 6.186,344 3.831,345 2.945,346 3.946,347 2.035,348 9.17,349 2.625,350 4.12,351 3.361,352 5.924,353 3.635,354 2.719,355 3.758,356 0.8,357 8.271,358 2.522,359 3.997,360 3.172,361 5.778,362 3.574,363 2.651,364 3.506,365 0.8,366 7.922,367 2.44,368 3.662,369 2.978,370 5.48,371 3.534,372 2.557,373 2.939,374 0.4,375 7.337,376 2.429,377 3.623,378 2.695,379 5.241,380 3.152,381 2.214,382 2.837,384 6.587,385 2.107,386 3.535,387 2.579,388 5.224,389 3.108,390 2.181,391 2.65,393 6.403,394 1.998,395 3.243,396 2.539,397 5.107,398 3.072,399 2.099,400 2.542,402 6.267,403 1.994,404 3.202,405 2.306,406 4.707,407 2.697,408 1.739,409 2.213,411 4.889,412 1.662,413 3.019,414 2.137,415 4.282,416 2.418,417 1.509,418 1.996,420 3.972,421 1.41,422 2.864,423 2.001,424 3.965,425 2.373,426 1.429,427 1.81,428 3.223,429 1.244,430 2.789,431 1.777,432 3.796,433 2.138,434 1.234,435 1.656,436 3.05,437 1.101,438 2.614,439 1.73,440 3.613,441 2.039,442 1.108,443 1.574,445 2.612,446 1.028,447 2.552,448 1.196,449 3.417,450 1.981,451 1.009,452 1.384,454 2.382,455 0.977,456 2.397,457 1.146,458 3.414,459 1.967,460 1,461 1.218,463 2.275,464 0.965,465 19.348,466 0.496,467 0.81,468 0.021,469 51.25,470 1.314,471 25.5,472 0.654,473 25.75,474 0.66,475 36.659,476 0.94,477 40.652,478 0.573,479 40.217,480 1.031,481 9.831,482 0.252,483 9.203,484 0.236,485 0.109,487 0.295,493 0.831,494 1.383,495 0.686,496 0.98,497 0.533,498 0.935,499 1.168,500 1.032,501 0.779,502 0.813,503 0.526,504 0.821,505 1.038,506 1,507 0.92,508 0.939,509 0.616,510 0.96,511 0.734,512 1.06,513 1.084,514 1.186,515 0.706,516 1.092,517 0.756,518 0.799,519 0.699,520 0.744,521 0.745,522 0.783,523 0.878,524 0.993,525 0.822,526 0.892,527 0.932,528 0.945,529 1.155,530 0.927,531 1.158,532 0.98,533 1.485,534 1.039,535 0.895,536 0.898,537 0.951,538 0.892,539 0.876,540 0.892,541 7.5,542 0.274,543 4.222,544 2.069,545 2.328,546 1.083,547 0.872,548 0.68,549 0.326,550 0.285,551 28752,552 70024,553 2.11,554 45.1,556 23,557 1,558 2,559 1,561 5,564 1.79,565 2,566 4.004,567 -0.383,573 109.774,574 1.546,575 3.847,576 4.994,577 5.481,578 5.537,579 5.65,580 3.56,581 5.08,582 5.247,583 4.251,584 3150.01,585 9.235,586 57107.7,591 436.632,592 1.309,593 5.228,594 0.174,595 0.006,596 0.072,597 0.034,598 0.043,599 0.02,600 0.016,601 0.015,602 0.008,603 0.007,604 0.395,605 0.17,606 0.75,607 0.692,608 223.596,609 0.001,610 -0.233,611 0.056,612 -0.045,613 0.066,614 -0.012,615 -0.088,616 0.089,617 0.076,618 0.123,619 0.04,620 0.1,621 -0.066,622 0.047,623 0.076,624 0.085,625 0.069,626 0.016,627 0.105,628 -0.08,629 -0.074,630 -0.132,631 0.141,632 -0.081,633 0.125,634 0.111,635 0.179,636 0.175,637 0.139,638 0.22,639 -0.01,640 -0.035,641 0.077,642 0.051,643 0.089,644 0.048,645 -0.053,646 0.017,647 -0.055,648 -0.014,649 -0.114,650 -0.043,651 0.15,652 0.06,653 0.156,654 0.125,655 0.204,656 0.114,657 1.184,658 3.772,659 0.692,660 63.632,661 0.994,662 1.123,663 3.297,664 10.867,665 0.696,666 3.784,667 4.094,668 4.369,669 4.605,670 4.836,671 4.913,672 5.03,673 5.187,674 5.303,675 5.38,676 9.89,677 0.648,678 558.21,679 3.784,680 5.323,681 6.172,682 7.04,683 7.904,684 8.777,685 9.647,686 10.524,687 11.398,688 12.277,689 9.9,692 2,697 2,698 1,699 2,703 2,704 9,705 2,709 7,710 1,711 22,713 1,724 1,730 1,731 71,733 24,734 2,735 43,737 75,738 30,739 18,740 6,741 6,742 2,746 5,747 6,748 1,752 1,758 1,760 1,761 20,762 9,766 1,773 2,781 32,782 6,783 1,784 9,785 2,787 1,790 7,794 0.8,805 1,811 1,812 4,816 1,831 2,836 2,840 4,841 1,842 1,844 2,845 1,848 39,854 7,855 1,857 1,859 2,861 1,866 1,868 1,869 1,877 19.5,878 13.426,879 8.722,880 4.451,881 4.729,882 1.546,883 0.999,884 9.108,885 13.385,886 4.06,887 4.637,888 5.234,889 5.81,890 6.357,891 6.738,892 7.194,893 7.668,894 8.094,895 8.347,896 0.917,897 61,898 14.378,900 6.002,901 7.563,902 28.06,904 23.009,905 2.063,906 80.444,910 364.904,911 206.51,912 90.789,913 39.149,916 32.22,917 174.29,918 404.053,919 90.789,920 17.222,921 15.169,922 84.857,923 73.715,924 97.659,925 11.771,926 361.81,927 39.149,928 364.904,929 265.079,931 71.368,933 306.049,934 58.856,937 102.144,938 110.412,939 91.672,940 32.22,941 364.904,942 90.789,943 245.659,946 364.904,947 69.734,948 128.322,949 34.612,950 103.779,951 364.904,952 90.789,953 245.659,955 0.575,956 0.343,957 0.181,958 0.098,959 27,960 12,961 0.12,962 9,963 1,964 1.074,965 5.059,966 372.39,967 0.074,968 27,969 200.131,970 1,974 27.55,975 12.893,976 6.77,977 1.727,978 88.89,979 17.268,980 8.922,984 5.503,985 1.952,986 18.011,987 701.352,988 57,995 4.398,999 70.6,1000 79.75,1001 0.251,1002 0.626,1003 0.812,1004 0.891,1005 0.9,1006 0.919,1007 5.301,1008 2.099,1009 6.142,1010 6.403,1011 4.779,1012 5.325,1013 3.365,1014 6.929,1015 4.652,1016 6.502,1017 1.739,1018 7.686,1019 6.267,1020 4.29,1021 5.085,1022 0.57,1023 7.774,1024 4.066,1025 7.802,1026 1.509,1027 9.326,1028 4.889,1029 6.354,1030 7.528,1031 5.235,1032 10.852,1033 6.114,1034 9.137,1035 1.429,1036 11.024,1037 3.972,1038 6.698,1039 8.167,1040 0.479,1041 12.529,1042 6.37,1043 10.504,1044 1.234,1045 12.758,1046 3.223,1047 8.193,1048 10.046,1049 7.287,1050 15.122,1051 7.85,1052 11.894,1053 1.108,1054 14.519,1055 3.05,1056 8.927,1057 11.107,1058 0.346,1059 17.167,1060 8.515,1061 13.303,1062 1.009,1063 16.299,1064 2.612,1065 10.19,1066 12.754,1067 9.398,1068 19.602,1069 9.761,1070 3.165,1071 1,1072 18.095,1073 2.382,1074 11.116,1075 14.028,1076 0.237,1077 21.82,1078 10.64,1079 2.945,1080 10.929,1081 19.902,1082 2.275,1083 12.284,1084 15.577,1085 11.535,1086 24.206,1087 11.79,1088 2.719,1089 9.17,1090 21.72,1091 4.539,1092 13.306,1093 16.959,1094 0.158,1095 26.508,1096 12.782,1097 2.651,1098 8.271,1099 23.548,1100 3.946,1101 14.437,1102 18.469,1103 13.686,1104 28.882,1105 13.898,1106 2.557,1107 7.922,1108 25.383,1109 3.758,1110 15.508,1111 19.906,1112 0.104,1113 31.225,1114 14.949,1115 2.214,1116 7.337,1117 27.225,1118 3.506,1119 16.628,1120 21.404,1121 15.844,1122 33.599,1123 16.058,1124 2.181,1125 6.587,1126 29.074,1127 2.939,1128 17.725,1129 22.871,1130 0.068,1131 35.963,1132 17.141,1133 26925,1134 42544,1135 29.126,1136 49.444,1137 64.922,1138 68.946,1139 65.342,1140 63.456,1141 63.232,1142 82.271,1143 13.969,1144 178.783,1145 59.067,1146 5.607,1147 6.593,1148 6.398,1149 5.313,1150 5.165,1151 7.539,1152 5.9,1153 18.147,1154 5.101,1155 17.945,1156 1.51,1157 1.603,1158 1.52,1159 1.476,1160 1.471,1161 1.913,1162 0.325,1163 4.158,1164 1.374,1165 4.107,1166 4.135,1167 4.173,1168 4.04,1169 6.82,1170 4.044,1171 3.944,1172 3.989,1173 4.049,1174 3.886,1175 5.003,1176 3.86,1177 3.87,1178 3.943,1179 3.864,1180 3.693,1181 4.934,1182 3.705,1183 3.831,1184 3.87,1185 3.75,1186 3.664,1187 4.868,1188 3.678,1189 3.661,1190 3.709,1191 3.593,1192 3.56,1193 4.489,1194 3.56,1195 3.494,1196 3.558,1197 3.384,1198 3.358,1199 4.391,1200 3.354,1201 3.352,1202 3.429,1203 3.336,1204 3.187,1205 4.36,1206 3.171,1207 3.111,1208 3.206,1209 3.272,1210 2.994,1211 4.155,1212 2.966,1213 0.107,1214 0.107,1215 0.156,1216 0.096,1217 0.074,1218 4.607,1219 0.106,1220 4.593,1221 0.069,1222 6.713,1223 0.254,1224 4.145,1225 0.072,1226 3.165,1227 4.539,1228 2.95,1229 10.929,1230 3.101,1231 2.057,1232 2.036,1233 2.119,1234 2.138,1235 1.344,1236 2.134,1237 1.87,1238 1.855,1239 2.022,1240 2.036,1241 1.254,1242 2.038,1243 1.813,1244 1.743,1245 1.925,1246 1.931,1247 1.103,1248 1.947,1249 1.658,1250 1.613,1251 1.851,1252 1.808,1253 1.068,1254 1.824,1255 1.554,1256 1.483,1257 1.76,1258 1.793,1259 0.913,1260 1.793,1261 1.484,1262 1.426,1263 1.729,1264 1.661,1265 0.844,1266 1.684,1267 1.368,1268 1.291,1269 1.593,1270 1.549,1271 0.825,1272 1.575,1273 1.292,1274 1.242,1275 1.513,1276 1.491,1277 0.71,1278 1.486,1279 4.466,1281 5.778,1282 2.398,1283 7.283,1284 4.595,1285 8.878,1286 6.529,1287 10.522,1289 4.183,1290 6.613,1295 7.873,1296 3.416,1298 1.51,1300 5.039,1303 9.772,1304 2.269,1305 46.013,1306 109.774,1307 273.12,1308 354.593,1309 389.122,1310 393.122,1311 401.122,1312 62.482,1313 8.655,1314 73.01,1315 98.31,1316 29,1317 12.815,1318 4.644,1319 3.907,1320 61.842,1321 225,1322 278,1323 0.128,1324 290.541,1325 498.56,1326 700.681,1327 88746,1328 1.4,1329 27.192,1330 0.697,1331 0.611,1332 28.045,1333 23.843,1334 19.034,1335 0.443,1336 0.335,1337 13.147,1338 17.76,1339 12.681,1340 10.519,1341 19.73,1342 14.391,1343 16.648,1344 0.282,1345 0.187,1346 17.661,1347 11.011,1348 14.462,1349 0.185,1350 0.11,1351 15.784,1352 8.604,1353 11.684,1354 0.118,1355 0.059,1356 12.818,1357 5.798,1358 9.392,1359 0.075,1360 0.033,1361 10.5,1362 4.069,1363 0.209,1364 125.013,1365 0.185,1366 36.154,1367 0.33,1368 204,1369 525.267,1370 258.744,1371 575.559,1372 789.09,1373 540,1374 239,1375 549.239,1376 291.592,1377 589.788,1378 860.5,1379 554,1380 5}
{0 CHEMBL490428,1 1.703,2 11.567,3 3.438,4 11.82,5 116.801,6 8.126,7 0.5,8 4.082,9 4.199,10 3.771,11 3.638,12 5.179,13 3.614,14 4.629,15 4.795,16 4.221,17 4.047,18 5.698,19 4.014,20 4.879,21 5.066,22 4.275,23 4.195,24 5.934,25 4.132,26 4.975,27 5.215,28 4.183,29 4.202,30 5.97,31 4.083,32 4.77,33 4.962,34 4.114,35 4.076,36 5.861,37 3.978,38 4.649,39 4.831,40 3.981,41 4.003,42 5.633,43 3.908,44 4.664,45 4.867,46 3.95,47 3.945,48 5.695,49 3.889,50 4.721,51 4.912,52 3.956,53 3.963,54 5.823,55 3.885,56 0.077,57 0.848,58 10.099,59 4.665,60 8.116,61 5.678,62 0.28,63 1.39,64 21.501,65 7.896,66 23.197,67 10.127,68 0.491,69 1.709,70 28.852,71 9.444,72 38.825,73 11.819,74 0.485,75 1.743,76 39.611,77 13.103,78 46.931,79 16.512,80 0.612,81 1.482,82 30.349,83 9.694,84 56.991,85 11.318,86 0.29,87 1.371,88 28.104,89 9.405,90 19.514,91 11.113,92 0.37,93 1.303,94 24.125,95 8.189,96 30.55,97 10.441,98 0.515,99 1.32,100 24.221,101 8.848,102 49.81,103 11.398,104 17,105 51,106 0.282,107 0.652,108 0.818,109 0.855,110 0.855,111 0.855,112 3.441,113 0.938,114 -3.99,115 -3.94,116 -3.74,119 40.4,120 3,121 1,125 2,130 1,142 5,144 3,146 2,147 1,152 1,158 1,162 1,166 1,172 2,174 1,175 8,178 2,180 6,183 5,186 1,187 7,190 1,192 3,195 3,198 1,199 10,202 2,207 3,211 2,212 5,215 2,217 1,220 6,223 1,224 5,227 1,229 1,232 3,236 2,237 4,242 1,245 3,249 3,250 4,253 1,255 2,258 5,262 1,263 6,266 1,267 1,268 1,271 3,275 1486,276 19.997,277 19.997,278 19.997,279 19.997,280 19.997,281 17.86,282 35.934,283 11.42,284 20.63,285 16.829,286 16.829,287 16.829,288 16.829,289 16.829,290 13.471,291 61.001,292 5.501,293 17.913,294 3.997,295 1.766,296 0.767,297 0.544,298 0.544,299 0.544,300 4.149,304 1,305 1,306 770,307 3,310 55.566,311 309.679,314 109.248,315 122.758,318 1.833,319 26.912,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 65,331 347,332 4.564,333 3.726,334 6.881,335 4.307,336 3.349,337 4.167,338 1.058,339 11.552,340 3.216,341 4.372,342 3.406,343 6.705,344 4.075,345 3.142,346 3.947,347 0.86,348 10.918,349 2.932,350 4.069,351 3.134,352 6.312,353 3.757,354 2.82,355 3.618,356 0.8,357 9.536,358 2.634,359 4.01,360 2.888,361 5.743,362 3.61,363 2.66,364 3.216,365 0.4,366 7.857,367 2.525,368 3.695,369 2.794,370 5.546,371 3.346,372 2.39,373 2.973,375 7.388,376 2.274,377 3.537,378 2.513,379 5.135,380 3.162,381 2.22,382 2.789,384 6.32,385 2.078,386 3.296,387 2.461,388 5.111,389 2.918,390 1.941,391 2.561,393 5.846,394 1.882,395 3.226,396 2.105,397 4.799,398 2.842,399 1.892,400 2.387,402 5.414,403 1.787,404 2.828,405 1.746,406 4.575,407 2.389,408 1.46,409 1.948,411 4.344,412 1.348,413 2.5,414 1.584,415 3.982,416 2.288,417 1.372,418 1.5,420 3.297,421 1.24,422 2.49,423 1.248,424 3.794,425 1.983,426 1,427 1.488,428 2.393,429 0.982,430 2.312,431 1,432 3.414,433 1.735,434 0.856,435 1.179,436 2.275,437 0.732,438 2.035,439 0.951,440 3.385,441 1.65,442 0.737,443 0.931,445 1.907,446 0.661,447 1.482,448 0.496,449 3.229,450 1.196,451 0.241,452 0.287,454 0.606,455 0.229,456 1.065,457 0.457,458 2.985,459 0.775,460 -0.189,461 -0.221,463 -0.494,464 -0.181,465 14.4,466 0.48,467 0.967,468 0.032,469 39.5,470 1.317,471 19,472 0.633,473 20.5,474 0.683,475 28.06,476 0.935,477 31.8,478 0.612,479 28.201,480 0.94,481 7.326,482 0.244,483 7.051,484 0.235,485 0.127,486 0.035,487 0.34,493 0.796,494 1.27,495 0.712,496 0.974,497 0.634,498 0.899,499 0.827,500 1.212,501 0.683,502 0.933,503 0.539,504 0.814,505 1.257,506 1.103,507 1.026,508 0.986,509 1.059,510 1.026,511 0.845,512 0.975,513 1.076,514 1.056,515 0.813,516 0.921,517 1.316,518 0.939,519 1.309,520 1.038,521 1.849,522 1.008,523 0.952,524 1.231,525 1.499,526 1.464,527 0.71,528 1.191,529 1.143,530 0.957,531 0.954,532 0.928,533 1.125,534 0.92,535 1.097,536 1.082,537 0.91,538 1.039,539 1.231,540 1.13,541 8,542 0.197,543 3.556,544 2.507,545 2.134,546 0.907,547 0.769,548 0.597,549 0.354,550 0.315,551 12159,552 31986,553 2.136,554 42.3,556 9,559 2,560 5,561 6,564 1.729,565 1.989,566 3.488,567 0.276,569 1,573 88.567,574 1.703,575 3.935,576 4.934,577 5.157,578 5.157,579 5.157,580 2.961,581 4.507,582 4.877,583 3.643,584 1584.71,585 8.514,586 21522.5,588 1,590 1,591 296.423,592 1.579,593 4.829,594 0.235,595 0.009,596 0.07,597 0.05,598 0.046,599 0.022,600 0.02,601 0.015,602 0.01,603 0.011,604 0.488,605 0.5,606 0.88,607 0.551,608 153.192,609 -0.015,610 -0.107,611 0.073,612 -0.005,613 -0.048,614 0.016,615 0.109,616 -0.128,617 0.226,618 0.049,619 0.146,620 0.127,621 -0.171,622 -0.011,623 -0.09,624 -0.045,625 -0.164,626 -0.12,627 0.054,628 -0.004,629 0.076,630 0.036,631 0.113,632 0.106,633 -0.11,634 0.131,635 -0.151,636 0.049,637 -0.276,638 -0.061,639 -0.077,640 -0.135,641 -0.28,642 -0.282,643 -0.045,644 -0.198,645 -0.08,646 0.061,647 -0.056,648 0.001,649 -0.032,650 0.021,651 0.107,652 -0.127,653 -0.069,654 -0.13,655 0.022,656 -0.182,657 1.716,658 5.517,659 0.833,660 29.071,661 1.008,662 1.128,663 2.761,664 7.624,665 0.686,666 3.555,667 3.951,668 4.22,669 4.554,670 4.828,671 4.963,672 5.13,673 5.333,674 5.472,675 5.58,676 6.722,677 0.653,678 422.56,679 3.555,680 5.142,681 6.009,682 6.925,683 7.809,684 8.727,685 9.621,686 10.54,687 11.44,688 12.361,689 11.5,696 1,697 2,699 3,704 5,705 3,708 1,709 8,711 17,718 1,724 1,726 1,729 1,731 52,733 18,734 1,735 34,737 56,738 21,739 13,740 3,741 3,742 1,746 5,747 7,752 3,755 1,756 1,758 1,761 14,762 7,763 1,766 1,771 1,775 1,778 1,781 22,782 8,783 2,784 9,785 1,790 6,794 0.6,795 2,804 1,811 1,812 4,815 1,816 1,840 3,842 1,844 3,848 30,854 3,855 2,856 1,859 1,860 1,863 1,870 3.8,873 1,875 1,877 15.083,878 10.467,879 6.222,880 3.1,881 3.171,882 1.377,883 1.002,884 4.81,885 11.584,886 3.795,887 4.422,888 4.965,889 5.56,890 6.052,891 6.322,892 6.69,893 7.119,894 7.483,895 7.823,896 0.875,897 50,898 11.1,900 4.846,901 7.669,902 21.327,904 18.046,905 2.169,906 65.083,909 1,910 235.422,911 139.529,912 89.257,914 36.145,916 31.278,917 108.252,918 271.567,919 89.257,920 26.476,921 27.243,922 47.381,923 79.961,924 48.906,925 3.686,926 266.7,928 235.422,929 197.509,930 36.145,931 31.278,933 164.795,934 106.771,937 80.868,938 66.529,939 50.112,940 31.278,941 235.422,942 125.402,943 139.529,946 235.422,947 65.672,948 76.981,949 36.022,950 86.256,951 235.422,952 125.402,953 139.529,955 0.602,956 0.34,957 0.187,958 0.108,959 28,960 12,961 0.054,962 3,963 2,964 1.16,965 4.105,966 285.476,967 0.16,968 25,969 145.207,970 1,974 19.554,975 7.379,976 3.862,978 125.402,979 9.711,980 13.084,983 1.43,984 6.49,986 36.022,987 500.354,988 43.5,993 12.517,997 -0.049,999 52.411,1000 58.65,1001 0.299,1002 0.69,1003 0.865,1004 0.905,1005 0.905,1006 0.905,1007 5.083,1008 1.892,1009 6.047,1010 5.846,1011 4.635,1012 5.109,1013 1.792,1014 6.919,1015 4.516,1016 6.316,1017 1.46,1018 7.644,1019 5.414,1020 4.443,1021 5.017,1022 0.325,1023 8.038,1024 4.289,1025 7.65,1026 1.372,1027 9.342,1028 4.344,1029 6.333,1030 7.286,1031 1.632,1032 11.079,1033 6.107,1034 9.011,1035 1,1036 11.097,1037 3.297,1038 6.899,1039 7.935,1040 0.268,1041 12.973,1042 6.631,1043 10.4,1044 0.856,1045 12.889,1046 2.393,1047 8.324,1048 9.729,1049 1.589,1050 15.591,1051 7.997,1052 11.808,1053 0.737,1054 14.707,1055 2.275,1056 9.224,1057 10.729,1058 0.188,1059 17.793,1060 8.852,1061 13.23,1062 0.241,1063 16.543,1064 1.907,1065 10.481,1066 12.32,1067 1.592,1068 20.276,1069 10.058,1070 3.349,1071 -0.189,1072 18.394,1073 0.606,1074 11.533,1075 13.505,1076 0.125,1077 22.605,1078 11.064,1079 3.142,1080 11.552,1081 20.255,1082 -0.494,1083 12.731,1084 14.999,1085 1.624,1086 25.044,1087 12.215,1088 2.82,1089 10.918,1090 22.126,1091 4.167,1092 13.851,1093 16.283,1094 0.082,1095 27.426,1096 13.292,1097 2.66,1098 9.536,1099 24.003,1100 3.947,1101 15.032,1102 17.731,1103 1.676,1104 29.853,1105 14.429,1106 2.39,1107 7.857,1108 25.887,1109 3.618,1110 16.186,1111 19.069,1112 0.054,1113 32.258,1114 15.541,1115 2.22,1116 7.388,1117 27.775,1118 3.216,1119 17.364,1120 20.495,1121 1.742,1122 34.682,1123 16.678,1124 1.941,1125 6.32,1126 29.668,1127 2.973,1128 18.534,1129 21.864,1130 0.035,1131 37.099,1132 17.807,1133 11306,1134 18525,1135 22.77,1136 35.682,1137 53.009,1138 53.712,1139 53.222,1140 52.078,1141 52.162,1142 65.986,1143 6.237,1144 159.306,1145 49.04,1146 5.514,1147 5.726,1148 6.41,1149 5.45,1150 5.349,1151 7.167,1152 2.117,1153 18.893,1154 5.216,1155 14.633,1156 1.559,1157 1.58,1158 1.565,1159 1.532,1160 1.534,1161 1.941,1162 0.183,1163 4.685,1164 1.442,1165 4.046,1166 4.076,1167 4.277,1168 3.968,1169 7.429,1170 3.946,1171 3.92,1172 3.956,1173 3.918,1174 3.83,1175 5.051,1176 3.822,1177 3.825,1178 3.872,1179 3.773,1180 3.686,1181 4.886,1182 3.699,1183 3.569,1184 3.622,1185 3.591,1186 3.475,1187 4.73,1188 3.437,1189 3.434,1190 3.487,1191 3.337,1192 3.267,1193 4.359,1194 3.263,1195 3.188,1196 3.271,1197 3.082,1198 3.012,1199 4.285,1200 3.006,1201 3.132,1202 3.164,1203 3.026,1204 2.843,1205 3.978,1206 2.892,1207 2.937,1208 3.009,1209 2.815,1210 2.754,1211 3.902,1212 2.758,1213 0.134,1214 0.11,1215 0.202,1216 0.127,1217 0.099,1218 4.564,1219 0.123,1220 3.726,1221 0.031,1222 6.881,1223 0.34,1224 4.307,1225 0.095,1226 3.349,1227 4.167,1228 1.058,1229 11.552,1230 3.216,1231 1.926,1232 1.9,1233 2.014,1234 2.065,1235 1.262,1236 2.051,1237 1.825,1238 1.786,1239 1.99,1240 1.987,1241 1.186,1242 1.991,1243 1.776,1244 1.732,1245 1.903,1246 1.947,1247 0.972,1248 1.934,1249 1.488,1250 1.439,1251 1.703,1252 1.677,1253 0.912,1254 1.691,1255 1.335,1256 1.309,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.192,1262 1.131,1263 1.496,1264 1.417,1265 0.553,1266 1.448,1267 1.163,1268 1.101,1269 1.417,1270 1.372,1271 0.469,1272 1.363,1273 0.934,1274 0.843,1275 1.208,1276 1.239,1277 0.447,1278 1.308,1279 4.234,1281 5.609,1282 2.398,1283 7.169,1284 4.727,1285 8.817,1286 6.862,1287 10.511,1289 5.936,1295 1.943,1296 6.336,1297 5.853,1300 2.119,1301 -0.287,1305 33.96,1306 88.567,1307 204.6,1308 256.549,1309 268.158,1310 268.158,1311 268.158,1312 45.852,1313 8.412,1314 92.27,1315 120.51,1316 29,1317 12.873,1318 4.248,1319 3.392,1320 41.576,1321 119,1322 140,1323 0.169,1324 208.785,1325 355.69,1326 501.196,1327 57388,1329 20.88,1330 0.696,1331 0.595,1332 21.234,1333 17.838,1334 14.377,1335 0.423,1336 0.313,1337 9.741,1338 13.351,1339 9.34,1340 7.74,1341 14.785,1342 10.635,1343 14.265,1344 0.28,1345 0.179,1346 14.88,1347 9.132,1348 11.433,1349 0.171,1350 0.092,1351 12.323,1352 6.196,1353 10.206,1354 0.109,1355 0.05,1356 11.114,1357 4.704,1358 8.458,1359 0.068,1360 0.028,1361 9.427,1362 3.516,1363 0.264,1364 94.473,1365 0.21,1366 28.123,1367 0.469,1368 170,1369 485.578,1370 215.287,1371 489.946,1372 684.06,1373 460,1374 203,1375 510.141,1376 248.19,1377 529.233,1378 779.66,1379 497,1380 7.62}
{0 CHEMBL491473,1 1.62,2 13.576,3 4.761,4 22.67,5 124.882,6 7.509,7 0.568,8 4.211,9 4.322,10 3.792,11 3.709,12 5.292,13 3.709,14 4.775,15 4.948,16 4.155,17 4.097,18 5.811,19 4.084,20 4.983,21 5.18,22 4.213,23 4.194,24 6.059,25 4.156,26 5.01,27 5.231,28 4.148,29 4.152,30 6.061,31 4.1,32 4.934,33 5.142,34 4.089,35 4.104,36 6.004,37 4.047,38 4.941,39 5.159,40 4.06,41 4.078,42 5.997,43 4.026,44 4.887,45 5.106,46 4.015,47 4.038,48 5.957,49 3.996,50 4.778,51 4.973,52 3.993,53 4.034,54 5.831,55 3.979,56 0.058,57 0.944,58 12.288,59 5.569,60 7.222,61 7.017,62 0.379,63 1.51,64 24.914,65 9.094,66 25.934,67 11.839,68 0.644,69 1.772,70 32.376,71 11.278,72 49.412,73 14.879,74 0.687,75 1.792,76 34.886,77 12.037,78 55.404,79 15.843,80 0.719,81 1.649,82 31.833,83 11.332,84 58.454,85 14.828,86 0.636,87 1.671,88 32.56,89 11.127,90 57.323,91 14.538,92 0.737,93 1.614,94 31.105,95 9.673,96 61.559,97 12.704,98 0.45,99 1.468,100 25.697,101 9.439,102 40.61,103 12.598,104 11,105 52,106 0.26,107 0.591,108 0.781,109 0.84,110 0.855,111 0.855,112 3.532,113 0.913,114 -4.48,115 -4.4,116 -4.15,119 41.7,120 1,121 3,124 1,125 4,142 5,143 2,144 4,146 1,147 1,148 1,152 2,172 4,174 2,175 11,180 4,183 3,186 1,187 8,192 1,195 4,198 3,199 5,207 6,211 3,212 3,215 1,220 5,223 2,224 7,232 5,236 1,237 4,240 1,242 1,245 3,249 1,250 8,255 1,258 4,263 5,266 1,268 1,271 3,275 2042,276 22.748,277 22.748,278 22.748,279 22.748,280 22.748,281 20.254,282 25.689,283 13.406,284 23.51,285 18.236,286 18.236,287 18.236,288 18.236,289 18.236,290 14.366,291 29.075,292 6.311,293 19.42,294 4.287,295 2.23,296 1.048,297 0.684,298 0.592,299 0.592,300 4.241,304 1,305 1,306 993,307 3.391,310 174.036,311 256.64,314 134.209,315 146.548,318 2.498,319 35.312,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 72.5,331 448,332 4.62,333 3.446,334 6.671,335 4.141,336 3.184,337 4.569,338 0.86,339 10.723,340 3.047,341 4.557,342 3.285,343 6.571,344 4.067,345 3.102,346 4.504,347 0.86,348 10.452,349 2.991,350 4.013,351 3.004,352 6.051,353 3.597,354 2.675,355 3.516,356 0.86,357 8.715,358 2.455,359 3.838,360 2.848,361 5.742,362 3.469,363 2.541,364 3.331,365 0.8,366 7.75,367 2.359,368 3.542,369 2.702,370 5.352,371 3.392,372 2.453,373 2.808,375 6.997,376 2.292,377 3.427,378 2.323,379 5.183,380 2.95,381 2.018,382 2.545,384 6.151,385 1.876,386 3.235,387 2.283,388 4.81,389 2.794,390 1.827,391 2.542,393 5.204,394 1.761,395 3.125,396 2.005,397 4.697,398 2.684,399 1.754,400 2.37,402 4.888,403 1.63,404 3.004,405 1.863,406 4.511,407 2.6,408 1.647,409 2.219,411 4.452,412 1.561,413 2.751,414 1.581,415 3.938,416 2.431,417 1.477,418 1.81,420 3.333,421 1.401,422 2.52,423 1.47,424 3.656,425 2.244,426 1.332,427 1.522,428 3.003,429 1.206,430 2.148,431 1.277,432 3.531,433 2.024,434 1.072,435 1.133,436 2.376,437 1.014,438 2.069,439 1.115,440 3.35,441 1.591,442 0.657,443 0.881,445 1.695,446 0.6,447 1.847,448 0.951,449 3.198,450 1.559,451 0.621,452 0.757,454 1.465,455 0.576,456 1.618,457 0.744,458 3,459 1.539,460 0.618,461 0.618,463 1.372,464 0.572,465 15.386,466 0.466,467 0.725,468 0.022,469 42,470 1.273,471 19.5,472 0.591,473 22.5,474 0.682,475 29.467,476 0.893,477 36.214,478 0.604,479 32.458,480 0.984,481 8.196,482 0.248,483 7.922,484 0.24,485 0.084,487 0.351,491 1,493 0.781,494 1.282,495 0.744,496 1.191,497 0.588,498 1,499 1.017,500 0.997,501 0.842,502 0.93,503 0.66,504 0.858,505 1.005,506 1.064,507 0.93,508 1.028,509 0.769,510 0.968,511 1.102,512 1.004,513 0.901,514 0.97,515 1.104,516 0.915,517 1.021,518 1.006,519 0.94,520 1.03,521 1.03,522 0.992,523 1.2,524 1.125,525 0.96,526 0.998,527 1.236,528 0.947,529 1.389,530 0.876,531 1.056,532 0.765,533 1.279,534 0.825,535 0.862,536 1.094,537 0.986,538 1.128,539 0.825,540 1.088,541 6,542 0.21,543 3.556,544 2.229,545 2.107,546 0.941,547 0.642,548 0.563,549 0.411,550 0.268,551 17177,552 41140,553 2.15,554 45,556 16,558 1,559 1,560 3,561 4,562 2,564 1.751,565 2.041,566 3.693,567 -0.352,573 97.18,574 1.62,575 3.677,576 4.859,577 5.223,578 5.315,579 5.315,580 3.279,581 4.741,582 5.009,583 3.903,584 2060.66,585 8.77,586 31239.1,588 1,591 354.413,592 1.301,593 4.989,594 0.162,595 0.007,596 0.068,597 0.043,598 0.044,599 0.021,600 0.015,601 0.013,602 0.01,603 0.007,604 0.39,605 0.17,606 0.88,607 0.62,608 176.565,609 -0.033,610 -0.195,611 0.072,612 -0.113,613 -0.003,614 -0.017,615 -0.058,616 0.007,617 0.078,618 0.066,619 0.044,620 0.096,621 0.054,622 -0.065,623 0.035,624 -0.04,625 0.146,626 -0.006,627 0.048,628 0.005,629 0.106,630 0.022,631 0.057,632 0.064,633 0.121,634 -0.01,635 0.052,636 -0.025,637 0.076,638 -0.011,639 -0.018,640 -0.099,641 0.05,642 -0.005,643 -0.009,644 0.028,645 -0.141,646 0.162,647 -0.036,648 0.184,649 -0.084,650 0.11,651 0.039,652 -0.081,653 -0.056,654 -0.125,655 0.022,656 -0.112,657 2.103,658 7.026,659 0.727,660 40.777,661 1.008,662 1.132,663 3.246,664 10.539,665 0.658,666 3.638,667 3.97,668 4.277,669 4.564,670 4.771,671 4.875,672 5.011,673 5.182,674 5.293,675 5.375,676 7.904,677 0.632,678 450.56,679 3.638,680 5.187,681 6.052,682 6.938,683 7.82,684 8.711,685 9.6,686 10.494,687 11.387,688 12.284,689 6.7,692 1,697 1,699 2,703 4,704 6,705 2,706 1,709 6,711 21,729 3,730 1,731 60,733 21,734 2,735 37,737 64,738 25,739 16,740 8,741 4,746 5,747 7,752 1,755 2,758 3,761 16,762 9,779 1,781 27,782 7,783 1,784 8,790 4,794 0.6,795 3,806 1,807 1,808 1,811 2,812 3,815 1,816 1,836 1,840 3,844 2,846 1,848 33,854 7,856 3,859 1,869 1,870 5,875 3,877 16.167,878 11.493,879 7.25,880 3.763,881 4.357,882 1.52,883 1.007,884 6.45,885 12.731,886 3.882,887 4.53,888 5.18,889 5.827,890 6.406,891 6.783,892 7.209,893 7.673,894 8.015,895 8.307,896 1,897 52,898 12.269,900 5.289,901 7.687,902 23.57,904 19.53,905 2.187,906 72.167,909 1,910 306.049,911 136.078,912 53.481,914 33,915 14.96,917 136.078,918 339.048,919 68.441,920 19.708,921 18.513,922 47.381,923 45.342,924 93.669,925 24.676,926 294.278,928 306.049,929 189.559,930 47.96,933 250.382,934 103.626,937 58.011,938 97.977,939 33.571,941 321.009,942 86.481,943 136.078,946 306.049,947 60.37,948 78.832,949 16.786,950 81.531,951 306.049,952 101.441,953 136.078,955 0.579,956 0.348,957 0.195,958 0.101,959 26,960 11,961 0.125,962 8,963 2,964 1.167,965 4.499,966 310.121,967 0.167,968 24,969 162.465,974 22.084,975 9.638,976 4.671,977 2.446,978 84.655,979 10.13,980 8.596,981 3.124,984 1.971,986 16.786,987 543.567,988 47.5,999 60.505,1000 67.944,1001 0.274,1002 0.622,1003 0.823,1004 0.884,1005 0.9,1006 0.9,1007 5.125,1008 1.754,1009 6.033,1010 5.204,1011 4.654,1012 5.218,1013 1.856,1014 6.855,1015 4.535,1016 6.337,1017 1.647,1018 7.595,1019 4.888,1020 4.205,1021 5.13,1022 0.325,1023 7.756,1024 4.034,1025 7.657,1026 1.477,1027 9.258,1028 4.452,1029 6.256,1030 7.516,1031 1.557,1032 10.879,1033 6.036,1034 9.019,1035 1.332,1036 10.98,1037 3.333,1038 6.661,1039 8.298,1040 0.268,1041 12.618,1042 6.392,1043 10.416,1044 1.072,1045 12.741,1046 3.003,1047 8.145,1048 10.155,1049 1.308,1050 15.246,1051 7.839,1052 11.838,1053 0.657,1054 14.528,1055 2.376,1056 8.944,1057 11.334,1058 0.188,1059 17.332,1060 8.593,1061 13.279,1062 0.621,1063 16.335,1064 1.695,1065 10.209,1066 12.985,1067 1.087,1068 19.789,1069 9.824,1070 3.184,1071 0.618,1072 18.156,1073 1.465,1074 11.191,1075 14.347,1076 0.125,1077 22.025,1078 10.766,1079 3.102,1080 10.723,1081 19.989,1082 1.372,1083 12.371,1084 15.915,1085 0.89,1086 24.419,1087 11.912,1088 2.675,1089 10.452,1090 21.831,1091 4.569,1092 13.437,1093 17.359,1094 0.082,1095 26.721,1096 12.94,1097 2.541,1098 8.715,1099 23.68,1100 4.504,1101 14.587,1102 18.893,1103 0.718,1104 29.092,1105 14.056,1106 2.453,1107 7.75,1108 25.534,1109 3.516,1110 15.692,1111 20.374,1112 0.054,1113 31.425,1114 15.124,1115 2.018,1116 6.997,1117 27.394,1118 3.331,1119 16.833,1120 21.894,1121 0.571,1122 33.788,1123 16.229,1124 1.827,1125 6.151,1126 29.259,1127 2.808,1128 17.958,1129 23.393,1130 0.035,1131 36.134,1132 17.316,1133 15867,1134 24894,1135 25.255,1136 39.461,1137 54.966,1138 56.457,1139 56.473,1140 55.235,1141 55.254,1142 71.726,1143 6.76,1144 159.889,1145 51.828,1146 5.59,1147 5.446,1148 6.382,1149 5.244,1150 5.184,1151 7.569,1152 1.72,1153 18.01,1154 5.047,1155 13.396,1156 1.486,1157 1.526,1158 1.526,1159 1.493,1160 1.493,1161 1.939,1162 0.183,1163 4.321,1164 1.401,1165 4.143,1166 4.172,1167 4.114,1168 4.043,1169 8.201,1170 4.056,1171 4.04,1172 4.065,1173 4.014,1174 3.943,1175 5.134,1176 3.957,1177 3.861,1178 3.932,1179 3.729,1180 3.693,1181 4.918,1182 3.691,1183 3.579,1184 3.622,1185 3.504,1186 3.392,1187 4.775,1188 3.405,1189 3.494,1190 3.542,1191 3.39,1192 3.351,1193 4.502,1194 3.347,1195 3.409,1196 3.46,1197 3.286,1198 3.207,1199 4.451,1200 3.228,1201 3.17,1202 3.24,1203 3.013,1204 2.93,1205 4.322,1206 2.94,1207 3.024,1208 3.088,1209 2.925,1210 2.822,1211 4.076,1212 2.834,1213 0.125,1214 0.093,1215 0.18,1216 0.112,1217 0.086,1218 4.62,1219 0.123,1220 3.446,1221 0.023,1222 6.671,1223 0.29,1224 4.141,1225 0.082,1226 3.184,1227 4.569,1228 0.86,1229 10.723,1230 3.047,1231 1.997,1232 1.982,1233 2.045,1234 2.119,1235 1.24,1236 2.096,1237 1.901,1238 1.884,1239 1.964,1240 1.999,1241 1.211,1242 1.988,1243 1.663,1244 1.595,1245 1.901,1246 1.883,1247 1.165,1248 1.893,1249 1.606,1250 1.547,1251 1.86,1252 1.793,1253 1.114,1254 1.799,1255 1.577,1256 1.507,1257 1.806,1258 1.751,1259 0.909,1260 1.793,1261 1.379,1262 1.337,1263 1.617,1264 1.647,1265 0.886,1266 1.628,1267 1.289,1268 1.216,1269 1.589,1270 1.559,1271 0.584,1272 1.573,1273 1.126,1274 1.059,1275 1.369,1276 1.382,1277 0.443,1278 1.394,1279 4.317,1281 5.645,1282 3.045,1283 7.165,1284 5.283,1285 8.781,1286 7.273,1287 10.452,1289 3.473,1291 15.026,1295 7.491,1297 17.449,1300 2.461,1305 37.935,1306 97.18,1307 220.591,1308 291.52,1309 313.394,1310 318.904,1311 318.904,1312 56.611,1313 8.374,1314 72.5,1315 72.5,1316 28,1317 12.809,1318 4.459,1319 3.524,1320 47.967,1321 154,1322 166,1323 0.149,1324 227.63,1325 388.34,1326 547.176,1327 58561,1328 1.7,1329 22.786,1330 0.69,1331 0.571,1332 21.916,1333 18.858,1334 16.119,1335 0.436,1336 0.304,1337 11.048,1338 15.306,1339 10.798,1340 8.926,1341 15.691,1342 11.257,1343 14.382,1344 0.277,1345 0.16,1346 13.961,1347 8.343,1348 12.562,1349 0.177,1350 0.085,1351 11.939,1352 6.003,1353 10.724,1354 0.113,1355 0.046,1356 10.336,1357 4.342,1358 8.443,1359 0.072,1360 0.023,1361 8.099,1362 2.662,1363 0.237,1364 102.346,1365 0.199,1366 31.049,1367 0.398,1368 178,1369 578.586,1370 200.203,1371 521.051,1372 717.28,1373 492,1374 212,1375 534.902,1376 235.833,1377 531.359,1378 785.64,1379 499,1380 5}
{0 CHEMBL492251,1 1.542,2 10.036,3 3.888,4 15.113,5 107.274,6 8.053,7 0.71,8 3.945,9 4.048,10 3.585,11 3.519,12 5.164,13 3.52,14 4.416,15 4.557,16 3.907,17 3.885,18 5.526,19 3.874,20 4.578,21 4.727,22 4.009,23 4.016,24 5.721,25 3.983,26 4.688,27 4.87,28 3.969,29 4.044,30 5.823,31 3.985,32 4.743,33 4.953,34 3.908,35 4.045,36 5.8,37 3.971,38 4.683,39 4.884,40 3.914,41 4.027,42 5.805,43 3.953,44 4.669,45 4.885,46 3.894,47 3.954,48 5.813,49 3.893,50 4.554,51 4.752,52 3.79,53 3.83,54 5.749,55 3.78,56 0.038,57 0.655,58 7.86,59 3.82,60 9.993,61 4.498,62 0.2,63 1.008,64 14.976,65 6.286,66 19.451,67 7.33,68 0.232,69 1.209,70 17.131,71 7.456,72 21.124,73 9.202,74 0.256,75 1.348,76 20.614,77 8.589,78 34.902,79 10.837,80 0.336,81 1.37,82 24.081,83 9.336,84 38.159,85 11.945,86 0.268,87 1.309,88 21.505,89 8.854,90 34.451,91 11.734,92 0.313,93 1.274,94 22.466,95 8.613,96 44.992,97 11.441,98 0.25,99 1.164,100 18.958,101 7.098,102 39.777,103 9.06,104 19,105 43,106 0.259,107 0.627,108 0.763,109 0.849,110 0.864,111 0.871,112 3.375,113 0.84,114 -2.73,115 -2.74,116 -2.66,119 47.8,124 2,142 7,143 4,144 4,145 2,151 1,152 1,158 1,172 7,175 5,180 7,183 8,186 1,187 5,192 5,195 6,198 1,199 6,202 2,204 3,207 7,212 3,216 1,217 1,220 7,223 1,224 7,227 1,232 8,236 1,237 6,240 1,242 2,245 7,249 1,250 4,255 1,258 4,262 1,263 4,266 2,268 2,271 1,275 1298,276 19.558,277 19.558,278 19.558,279 19.558,280 19.558,281 16.916,282 18.333,283 11.384,284 20.083,285 15.117,286 15.117,287 15.117,288 15.117,289 15.117,290 10.955,291 25.135,292 5.103,293 15.775,294 3.982,295 1.791,296 0.982,297 0.468,298 0.381,299 0.337,300 4.074,303 1,304 1,305 1,306 610,307 2.915,310 64.178,311 242.248,314 108.525,318 1.472,319 20.384,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60,331 281,332 4.524,333 4.073,334 6.705,335 4.135,336 3.153,337 4.37,338 2.035,339 10.904,340 3.097,341 4.415,342 3.243,343 6.195,344 3.916,345 2.935,346 4.212,347 0.86,348 9.263,349 2.88,350 4.208,351 3.097,352 6.156,353 3.778,354 2.827,355 3.82,356 0.86,357 9.071,358 2.684,359 3.755,360 2.924,361 5.705,362 3.322,363 2.35,364 3.073,365 0.4,366 7.57,367 2.276,368 3.632,369 2.452,370 5.244,371 3.188,372 2.218,373 3.022,375 6.602,376 2.146,377 3.227,378 2.29,379 4.607,380 2.526,381 1.614,382 2.301,384 4.468,385 1.516,386 3.034,387 2.175,388 4.372,389 2.523,390 1.534,391 2.192,393 4.213,394 1.475,395 2.919,396 1.584,397 4.348,398 2.485,399 1.509,400 2.057,402 4.043,403 1.458,404 2.876,405 1.534,406 3.971,407 2.353,408 1.427,409 2.033,411 3.345,412 1.319,413 2.731,414 1.468,415 3.451,416 2.053,417 1.098,418 1.628,420 2.447,421 1.046,422 2.585,423 1.117,424 3.226,425 1.665,426 0.743,427 1.115,428 1.508,429 0.68,430 1.97,431 1.04,432 3.054,433 1.513,434 0.592,435 0.776,436 1.164,437 0.541,438 1.889,439 0.934,440 2.988,441 1.42,442 0.457,443 0.697,445 0.946,446 0.439,447 1.507,448 0.629,449 2.727,450 1.192,451 0.339,452 0.375,454 0.454,455 0.287,456 1.416,457 0.396,458 2.628,459 0.974,460 0.039,461 0.055,463 0.078,464 0.036,465 13.267,466 0.474,467 0.53,468 0.019,469 42.75,470 1.527,471 24.5,472 0.875,473 18.25,474 0.652,475 18.507,476 0.661,477 28.133,478 0.612,479 32.306,480 1.154,481 8.696,482 0.311,483 5.032,484 0.18,485 0.106,487 0.339,493 0.924,494 1.151,495 0.721,496 0.978,497 0.601,498 0.842,499 1.355,500 0.945,501 0.851,502 0.782,503 0.746,504 0.752,505 0.876,506 1.199,507 0.928,508 1.079,509 0.625,510 1.023,511 0.918,512 1.056,513 1.038,514 1.106,515 0.848,516 1.097,517 1.09,518 0.904,519 1.016,520 0.903,521 0.982,522 0.944,523 0.666,524 1.019,525 0.929,526 1.034,527 0.914,528 1.024,529 0.823,530 0.96,531 0.844,532 0.911,533 1.336,534 0.885,535 1.1,536 1.155,537 1.048,538 1.076,539 1.212,540 1.05,541 5,542 0.091,543 3.333,544 1.757,545 1.715,546 0.948,547 0.612,548 0.535,549 0.382,550 0.179,551 9268,552 26148,553 2.115,554 39.1,556 13,557 1,558 2,559 2,564 1.716,565 2,566 3.308,567 0.212,569 1,573 70.918,574 1.542,575 3.733,576 4.542,577 5.056,578 5.143,579 5.186,580 2.74,581 4.495,582 4.779,583 3.453,584 1305.06,585 8.342,586 16859.2,588 1,590 1,591 254.084,592 1.333,593 4.748,594 0.161,595 0.006,596 0.078,597 0.038,598 0.04,599 0.023,600 0.015,601 0.013,602 0.011,603 0.007,604 0.392,605 0.33,606 1,607 0.862,608 138.669,609 -0.066,610 -0.089,611 0.046,612 -0.036,613 0.005,614 0.016,615 -0.209,616 0.069,617 0.026,618 0.179,619 -0.103,620 0.145,621 0.046,622 -0.177,623 -0.067,624 -0.124,625 0.044,626 -0.115,627 -0.017,628 -0.046,629 -0.124,630 -0.145,631 0.016,632 -0.155,633 -0.123,634 0.063,635 -0.034,636 0.085,637 -0.081,638 0.045,639 0.096,640 -0.042,641 0.01,642 -0.046,643 0.043,644 -0.035,645 0.096,646 0.012,647 0.147,648 0.074,649 -0.02,650 0.111,651 -0.059,652 -0.133,653 -0.083,654 -0.131,655 0.013,656 -0.112,657 1.207,658 3.61,659 0.75,660 23.908,661 1.005,662 1.116,663 1.499,664 2.247,665 0.701,666 3.466,667 3.784,668 4.111,669 4.382,670 4.595,671 4.682,672 4.836,673 4.977,674 5.037,675 5.088,676 6.073,677 0.678,678 370.44,679 3.466,680 5.004,681 5.872,682 6.756,683 7.639,684 8.527,685 9.415,686 10.305,687 11.195,688 12.086,689 8.7,697 2,698 1,699 1,703 2,704 10,705 1,706 1,709 7,711 22,713 1,724 1,729 2,731 46,733 23,734 2,735 31,737 49,738 22,739 19,740 6,741 6,746 4,747 5,760 1,761 19,762 2,778 1,781 18,782 5,783 2,784 6,790 4,794 0.75,795 2,805 1,807 1,811 1,812 3,815 1,840 3,844 2,848 28,855 1,856 2,861 1,866 1,868 1,870 4.3,875 2,877 14,878 9.067,879 6.389,880 2.496,881 4.401,882 1.574,883 1.013,884 4.987,885 12.067,886 3.807,887 4.434,888 5.105,889 5.723,890 6.261,891 6.596,892 7.046,893 7.479,894 7.778,895 8.181,896 0.857,897 46,898 10.241,900 4.286,901 7.732,902 19.409,904 15.59,905 2.232,906 62.5,909 1,910 188.338,911 162.118,912 82.641,914 22,917 162.118,918 210.337,919 82.641,920 21.766,922 75.381,923 56.929,924 134.08,925 13.915,926 153.024,928 188.338,929 244.759,930 22,933 188.338,934 22,937 83.95,938 144.023,939 16.786,941 188.338,942 104.641,943 162.118,946 188.338,947 30.274,948 115.242,949 51.398,950 69.845,951 188.338,952 104.641,953 162.118,955 0.571,956 0.36,957 0.202,958 0.105,959 21,960 9,961 0.102,962 5,963 1,964 1.095,965 3.897,966 250.784,967 0.095,968 21,969 134.606,974 18.058,975 7.733,976 3.47,977 2.145,978 87.855,979 18.83,980 4.234,981 3.178,984 4.962,986 34.796,987 455.097,988 44,999 46.247,1000 51.318,1001 0.279,1002 0.676,1003 0.822,1004 0.915,1005 0.931,1006 0.939,1007 5.034,1008 1.509,1009 5.849,1010 4.213,1011 4.466,1012 5.121,1013 2.53,1014 6.678,1015 4.392,1016 6.262,1017 1.427,1018 7.418,1019 4.043,1020 4.007,1021 4.913,1023 7.618,1024 3.928,1025 7.581,1026 1.098,1027 9.086,1028 3.345,1029 6.075,1030 7.401,1031 3.625,1032 10.717,1033 5.952,1034 8.939,1035 0.743,1036 10.813,1037 2.447,1038 6.479,1039 8.062,1041 12.479,1042 6.342,1043 10.328,1044 0.592,1045 12.578,1046 1.508,1047 7.969,1048 9.964,1049 4.974,1050 15.082,1051 7.804,1052 11.738,1053 0.457,1054 14.368,1055 1.164,1056 8.76,1057 11.029,1059 17.177,1060 8.577,1061 13.166,1062 0.339,1063 16.176,1064 0.946,1065 10.022,1066 12.685,1067 6.38,1068 19.616,1069 9.818,1070 3.153,1071 0.039,1072 17.996,1073 0.454,1074 10.99,1075 13.946,1077 21.855,1078 10.767,1079 2.935,1080 10.904,1081 19.827,1082 0.078,1083 12.161,1084 15.491,1085 7.797,1086 24.239,1087 11.919,1088 2.827,1089 9.263,1090 21.666,1091 4.37,1092 13.21,1093 16.85,1095 26.545,1096 12.95,1097 2.35,1098 9.071,1099 23.511,1100 4.212,1101 14.346,1102 18.345,1103 9.217,1104 28.914,1105 14.069,1106 2.218,1107 7.57,1108 25.362,1109 3.82,1110 15.433,1111 19.751,1113 31.253,1114 15.138,1115 1.614,1116 6.602,1117 27.217,1118 3.073,1119 16.557,1120 21.224,1121 10.638,1122 33.621,1123 16.246,1124 1.534,1125 4.468,1126 29.076,1127 3.022,1128 17.663,1129 22.655,1131 35.978,1132 17.335,1133 8848,1134 14976,1135 20.978,1136 32.262,1137 46.804,1138 49.214,1139 47.912,1140 45.535,1141 45.67,1142 63.45,1143 8.309,1144 132.153,1145 43.758,1146 5.315,1147 6.073,1148 6.293,1149 5.176,1150 5.153,1151 7.37,1152 4.069,1153 18.083,1154 5.097,1155 12.055,1156 1.51,1157 1.588,1158 1.546,1159 1.469,1160 1.473,1161 2.047,1162 0.268,1163 4.263,1164 1.412,1165 4.125,1166 4.16,1167 4.082,1168 4.037,1169 6.82,1170 4.044,1171 3.994,1172 4.016,1173 3.959,1174 3.92,1175 5.009,1176 3.926,1177 3.777,1178 3.803,1179 3.739,1180 3.665,1181 4.942,1182 3.679,1183 3.422,1184 3.483,1185 3.34,1186 3.278,1187 4.806,1188 3.284,1189 3.273,1190 3.326,1191 3.19,1192 3.073,1193 4.496,1194 3.094,1195 3.247,1196 3.314,1197 3.051,1198 2.952,1199 4.363,1200 2.961,1201 3.112,1202 3.18,1203 3.002,1204 2.888,1205 4.273,1206 2.9,1207 2.981,1208 3.05,1209 2.861,1210 2.838,1211 3.888,1212 2.836,1213 0.146,1214 0.131,1215 0.216,1216 0.133,1217 0.102,1218 4.524,1219 0.141,1220 4.073,1221 0.066,1222 6.705,1223 0.352,1224 4.135,1225 0.1,1226 3.153,1227 4.37,1228 2.035,1229 10.904,1230 3.097,1231 1.986,1232 1.965,1233 2.053,1234 2.081,1235 1.187,1236 2.073,1237 1.909,1238 1.889,1239 1.991,1240 1.996,1241 1.126,1242 1.995,1243 1.718,1244 1.694,1245 1.8,1246 1.855,1247 0.863,1248 1.839,1249 1.483,1250 1.421,1251 1.659,1252 1.696,1253 0.658,1254 1.691,1255 1.213,1256 1.159,1257 1.576,1258 1.524,1259 0.574,1260 1.539,1261 1.191,1262 1.115,1263 1.556,1264 1.488,1265 0.569,1266 1.511,1267 1.07,1268 1.012,1269 1.229,1270 1.289,1271 0.304,1272 1.278,1273 1.051,1274 0.988,1275 1.183,1276 1.251,1277 0.218,1278 1.225,1279 4.143,1281 5.46,1282 2.398,1283 6.987,1284 4.595,1285 8.611,1286 6.581,1287 10.282,1289 3.191,1296 3.39,1297 10.738,1303 9.61,1304 2.222,1305 31.203,1306 70.918,1307 171.703,1308 208.923,1309 232.574,1310 236.574,1311 238.574,1312 38.729,1313 7.667,1314 82.96,1315 82.96,1316 23,1317 12.614,1318 4.585,1319 3.807,1320 42.156,1321 98,1322 106,1323 0.203,1324 192.269,1325 326.02,1326 460.897,1327 22718,1329 19.51,1330 0.697,1331 0.553,1332 19.51,1333 15.484,1334 13.728,1335 0.443,1336 0.28,1337 8.536,1338 13.176,1339 8.283,1340 6.929,1341 13.728,1342 8.679,1343 11.703,1344 0.272,1345 0.144,1346 11.703,1347 6.196,1348 10.631,1349 0.177,1350 0.076,1351 10.631,1352 4.584,1353 9.041,1354 0.114,1355 0.04,1356 9.041,1357 3.178,1358 7.16,1359 0.073,1360 0.021,1361 7.16,1362 2.083,1363 0.312,1364 86.316,1365 0.218,1366 26.344,1367 0.58,1368 148,1369 441.427,1370 159.613,1371 431.634,1372 596.97,1373 406,1374 177,1375 441.837,1376 189.585,1377 455.513,1378 659.25,1379 425,1380 5}
{0 CHEMBL493083,1 1.679,2 7.87,3 3.229,4 10.425,5 90.283,6 8.186,7 0.615,8 3.819,9 3.918,10 3.525,11 3.411,12 4.906,13 3.375,14 4.355,15 4.511,16 3.928,17 3.812,18 5.411,19 3.753,20 4.542,21 4.722,22 3.931,23 3.879,24 5.562,25 3.8,26 4.52,27 4.738,28 3.85,29 3.837,30 5.494,31 3.748,32 4.469,33 4.658,34 3.88,35 3.866,36 5.537,37 3.769,38 4.489,39 4.66,40 3.832,41 3.9,42 5.462,43 3.791,44 4.489,45 4.675,46 3.648,47 3.823,48 5.458,49 3.682,50 4.518,51 4.774,52 3.364,53 3.63,54 5.377,55 3.442,56 0.039,57 0.596,58 7.821,59 3.839,60 6.594,61 4.458,62 0.221,63 1.008,64 16.391,65 6.578,66 17.75,67 7.599,68 0.337,69 1.213,70 24.868,71 7.915,72 25.958,73 9.418,74 0.216,75 1.173,76 20.446,77 7.561,78 22.997,79 9.775,80 0.355,81 1.142,82 22.59,83 7.736,84 33.919,85 9.124,86 0.226,87 1.157,88 22.159,89 7.943,90 15.755,91 9.108,92 0.21,93 1.054,94 19.999,95 8.478,96 19.301,97 10.52,98 0.217,99 0.981,100 24.304,101 9.202,102 27.086,103 11.821,104 5,105 37,106 0.296,107 0.642,108 0.778,109 0.829,110 0.829,111 0.829,112 3.19,113 0.972,114 -4.02,115 -3.97,116 -3.76,119 42.5,120 1,125 4,142 5,143 1,144 1,146 1,147 1,149 1,152 2,172 4,174 2,175 3,180 2,183 7,186 1,187 7,192 2,195 2,198 1,199 6,204 1,207 1,211 1,212 6,215 2,220 3,224 2,232 4,236 1,237 3,240 1,242 1,245 4,250 3,255 1,258 2,263 1,268 1,271 1,275 655,276 15.74,277 15.74,278 15.74,279 15.74,280 15.74,281 13.897,282 15.037,283 9.339,284 16.346,285 12.897,286 12.897,287 12.897,288 12.897,289 12.897,290 10.057,291 17.495,292 4.509,293 13.908,294 3.643,295 1.682,296 0.909,297 0.619,298 0.619,299 0.619,300 3.889,303 1,304 1,305 1,306 399,307 2,310 46.335,311 176.439,314 82.491,318 1.115,319 19.253,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.5,331 181,332 4.634,333 3.325,334 6.75,335 4.146,336 3.218,337 4.574,338 0.86,339 11.096,340 2.984,341 4.17,342 2.886,343 6.126,344 3.759,345 2.792,346 3.802,347 0.8,348 9.022,349 2.692,350 3.819,351 2.799,352 5.826,353 3.503,354 2.586,355 3.2,357 8.068,358 2.368,359 3.612,360 2.447,361 5.057,362 3.179,363 2.241,364 2.984,366 6.12,367 2.096,368 3.235,369 2.288,370 4.842,371 2.856,372 1.927,373 2.481,375 5.325,376 1.772,377 3.011,378 2.016,379 4.656,380 2.62,381 1.718,382 2.113,384 4.766,385 1.535,386 2.855,387 1.548,388 4.298,389 2.355,390 1.404,391 2.004,393 3.886,394 1.329,395 2.6,396 1.472,397 3.75,398 2.122,399 1.245,400 1.646,402 2.946,403 1.092,404 2.378,405 1.256,406 3.476,407 2.057,408 1.095,409 1.364,411 2.532,412 1.036,413 2,414 1.115,415 3.39,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.93,423 0.607,424 3.247,425 1.404,426 0.535,427 0.733,428 1.562,429 0.456,430 1.047,431 -0.057,432 2.755,433 0.613,434 -0.324,435 -0.417,436 -0.842,437 -0.3,438 0.93,439 -0.165,440 2.596,441 0.524,442 -0.404,443 -0.507,445 -0.953,446 -0.37,447 0.737,448 -0.36,449 2.252,450 0.33,451 -0.623,452 -0.739,454 -1.598,455 -0.588,456 0.5,457 -0.427,458 2,459 0.192,460 -0.742,461 -0.897,463 -1.912,464 -0.683,465 11.2,466 0.487,467 0.554,468 0.024,469 30.5,470 1.326,471 15,472 0.652,473 15.5,474 0.674,475 18.512,476 0.805,477 24.2,478 0.605,479 19.694,480 0.856,481 5.803,482 0.252,483 5.401,484 0.235,485 0.074,487 0.348,493 0.918,494 1.247,495 0.719,496 0.935,497 0.934,498 0.88,499 1.131,500 0.942,501 0.816,502 0.778,503 0.694,504 0.78,505 1.132,506 1.275,507 1.199,508 1.169,509 1.005,510 1.004,511 0.785,512 1.068,513 0.749,514 0.817,515 0.795,516 0.877,517 0.812,518 0.966,519 1.209,520 1.008,521 0.749,522 0.912,523 0.996,524 1.082,525 1.383,526 1.269,527 0.831,528 1.194,529 0.671,530 1.129,531 1.109,532 1.28,533 0.715,534 1.345,535 0.759,536 0.983,537 0.883,538 1.122,539 0.932,540 1.163,541 4.5,542 0.012,543 2.222,544 1.507,545 1.213,546 0.934,547 0.507,548 0.275,549 0.195,550 0.057,551 5331,552 14398,553 2.168,554 42.5,556 13,559 1,560 3,564 1.665,565 2.06,566 3.006,567 -0.284,568 1,569 1,571 1,573 67.148,574 1.679,575 3.64,576 4.413,577 4.703,578 4.703,579 4.703,580 2.426,581 3.936,582 4.495,583 3.116,584 788.422,585 7.781,586 8722.93,587 1,588 1,589 1,590 1,591 212.877,592 1.302,593 4.469,594 0.173,595 0.006,596 0.06,597 0.042,598 0.036,599 0.027,600 0.016,601 0.011,602 0.011,603 0.007,604 0.389,605 0.5,606 1,607 0.503,608 104.879,609 -0.07,610 -0.166,611 0.067,612 0.005,613 -0.11,614 0.018,615 -0.08,616 0.136,617 0.105,618 0.179,619 0.047,620 0.128,621 -0.087,622 -0.204,623 -0.108,624 -0.128,625 -0.078,626 -0.066,627 -0.02,628 -0.031,629 0.108,630 0.067,631 0.007,632 0.067,633 0.056,634 0.153,635 -0.101,636 0.047,637 0.1,638 0.033,639 -0.195,640 0.03,641 -0.321,642 -0.218,643 -0.171,644 -0.255,645 0.094,646 -0.175,647 -0.215,648 -0.306,649 0.025,650 -0.36,651 0.079,652 -0.158,653 0.055,654 -0.156,655 0.03,656 -0.109,657 1.444,658 3.729,659 0.913,660 16.06,661 1.006,662 1.119,663 2.787,664 7.769,665 0.698,666 3.296,667 3.638,668 3.932,669 4.263,670 4.533,671 4.635,672 4.844,673 4.977,674 5.011,675 5.011,676 4.982,677 0.659,678 327.44,679 3.296,680 4.844,681 5.707,682 6.603,683 7.488,684 8.392,685 9.289,686 10.196,687 11.099,688 12.008,689 7.5,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,728 1,731 40,733 16,734 1,735 26,737 43,738 17,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 5,777 1,778 1,781 17,782 5,783 1,784 6,785 1,790 3,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 23,853 1,854 4,856 1,859 1,865 1,870 5,872 1,874 1,877 11.167,878 7.55,879 4.944,880 2.41,881 3.047,882 1.419,883 0.996,884 3.913,885 10.32,886 3.555,887 4.201,888 4.839,889 5.511,890 6.09,891 6.481,892 6.994,893 7.447,894 7.718,895 8.022,896 1,897 36,898 8.5,900 3.65,901 7.63,902 16.474,904 13.792,905 2.13,906 49,909 1,910 188.338,911 112.97,912 36.695,914 53.683,916 31.278,917 81.692,918 242.021,919 36.695,920 8.825,921 13.396,922 47.381,923 87.254,924 10.782,925 4.432,926 219.615,928 188.338,929 118.388,930 53.683,931 31.278,933 190.666,934 42.683,935 11,937 24.366,938 58.123,939 33.571,940 31.278,941 188.338,942 90.379,943 112.97,946 188.338,947 56.764,948 59.331,950 87.254,951 188.338,952 90.379,953 112.97,955 0.583,956 0.337,957 0.195,958 0.114,959 20,960 8,961 0.047,962 2,963 1,964 1.095,965 3.501,966 196.322,967 0.095,968 21,969 100.042,970 1,974 14.851,975 6.06,976 2.909,977 2.079,978 90.379,979 9.176,980 9.501,983 1.723,984 3.88,986 42.683,987 391.686,988 34,999 40.222,1000 44.74,1001 0.315,1002 0.684,1003 0.829,1004 0.884,1005 0.884,1006 0.884,1007 4.796,1008 1.245,1009 5.694,1010 3.886,1011 4.317,1012 4.887,1013 1.235,1014 6.521,1015 4.174,1016 6.009,1017 1.095,1018 7.253,1019 2.946,1020 3.892,1021 4.745,1022 0.325,1023 7.413,1024 3.681,1025 7.324,1026 1,1027 8.913,1028 2.532,1029 5.916,1030 7.15,1031 0.938,1032 10.557,1033 5.645,1034 8.678,1035 0.535,1036 10.633,1037 2.136,1038 6.312,1039 7.863,1040 0.268,1041 12.307,1042 5.964,1043 10.066,1044 -0.324,1045 12.392,1046 1.562,1047 7.809,1048 9.743,1049 0.732,1050 14.958,1051 7.41,1052 11.479,1053 -0.404,1054 14.18,1055 -0.842,1056 8.598,1057 10.868,1058 0.188,1059 17.072,1060 8.117,1061 12.912,1062 -0.623,1063 15.988,1064 -0.953,1065 9.876,1066 12.528,1067 0.57,1068 19.552,1069 9.341,1070 3.218,1071 -0.742,1072 17.813,1073 -1.598,1074 10.855,1075 13.856,1076 0.125,1077 21.824,1078 10.238,1079 2.792,1080 11.096,1081 19.65,1082 -1.912,1083 12.047,1084 15.425,1085 0.438,1086 24.244,1087 11.368,1088 2.586,1089 9.022,1090 21.497,1091 4.574,1092 13.117,1093 16.851,1094 0.082,1095 26.585,1096 12.356,1097 2.241,1098 8.068,1099 23.353,1100 3.802,1101 14.277,1102 18.383,1103 0.334,1104 28.988,1105 13.449,1106 1.927,1107 6.12,1108 25.215,1109 3.2,1110 15.391,1111 19.855,1112 0.054,1113 31.361,1114 14.482,1115 1.718,1116 5.325,1117 27.083,1118 2.984,1119 16.543,1120 21.375,1121 0.252,1122 33.76,1123 15.562,1124 1.404,1125 4.766,1126 28.956,1127 2.481,1128 17.678,1129 22.87,1130 0.035,1131 36.148,1132 16.617,1133 5047,1134 8409,1135 17.8,1136 27.904,1137 39.716,1138 39.744,1139 40.22,1140 39.512,1141 39.52,1142 51.803,1143 3.32,1144 114.915,1145 36.609,1146 5.634,1147 5.325,1148 6.551,1149 5.259,1150 5.218,1151 7.574,1152 1.72,1153 18.34,1154 4.984,1155 8.437,1156 1.528,1157 1.529,1158 1.547,1159 1.52,1160 1.52,1161 1.992,1162 0.128,1163 4.42,1164 1.408,1165 4.092,1166 4.115,1167 4.333,1168 4.065,1169 6.471,1170 4.024,1171 3.859,1172 3.879,1173 3.856,1174 3.816,1175 5.041,1176 3.801,1177 3.728,1178 3.778,1179 3.645,1180 3.526,1181 4.616,1182 3.535,1183 3.352,1184 3.411,1185 3.358,1186 3.194,1187 4.585,1188 3.198,1189 3.111,1190 3.206,1191 2.944,1192 2.941,1193 4.299,1194 2.91,1195 2.982,1196 3.024,1197 2.866,1198 2.845,1199 3.974,1200 2.833,1201 2.915,1202 2.989,1203 2.815,1204 2.746,1205 3.685,1206 2.746,1207 2.909,1208 2.963,1209 2.728,1210 2.667,1211 3.515,1212 2.675,1213 0.178,1214 0.128,1215 0.26,1216 0.159,1217 0.124,1218 4.634,1219 0.176,1220 3.325,1221 0.033,1222 6.75,1223 0.427,1224 4.146,1225 0.115,1226 3.218,1227 4.574,1228 0.86,1229 11.096,1230 2.984,1231 1.937,1232 1.912,1233 2.013,1234 2.061,1235 1.218,1236 2.047,1237 1.773,1238 1.74,1239 1.924,1240 1.943,1241 1.081,1242 1.942,1243 1.611,1244 1.568,1245 1.773,1246 1.778,1247 0.89,1248 1.773,1249 1.523,1250 1.501,1251 1.622,1252 1.623,1253 0.847,1254 1.676,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 0.97,1262 0.944,1263 1.17,1264 1.154,1265 0.283,1266 1.154,1267 0.883,1268 0.838,1269 1.138,1270 1.148,1271 0.249,1272 1.135,1273 0.859,1274 0.774,1275 1.1,1276 1.084,1277 0.176,1278 1.108,1279 3.97,1281 5.303,1282 2.398,1283 6.834,1284 4.727,1285 8.456,1286 6.823,1287 10.13,1289 2.087,1294 9.729,1295 3.111,1297 5.454,1300 2.26,1305 26.369,1306 67.148,1307 145.604,1308 176.513,1309 188.122,1310 188.122,1311 188.122,1312 28.629,1313 7.273,1314 58.48,1315 86.72,1316 23,1317 12.525,1318 4.087,1319 3.17,1320 31.553,1321 69,1322 62,1323 0.232,1324 163.281,1325 271.13,1326 390.166,1327 12583,1329 15.811,1330 0.687,1331 0.593,1332 16.165,1333 13.637,1334 11.204,1335 0.431,1336 0.324,1337 7.567,1338 10.286,1339 7.312,1340 5.995,1341 11.612,1342 8.425,1343 10.326,1344 0.279,1345 0.185,1346 11.028,1347 6.848,1348 8.614,1349 0.172,1350 0.099,1351 9.353,1352 4.928,1353 7.648,1354 0.109,1355 0.054,1356 8.46,1357 3.766,1358 6.438,1359 0.07,1360 0.029,1361 7.192,1362 2.635,1363 0.347,1364 74.272,1365 0.237,1366 21.981,1367 0.688,1368 126,1369 359.681,1370 163.238,1371 366.432,1372 509.25,1373 346,1374 150,1375 363.86,1376 184.804,1377 383.542,1378 568.37,1379 362,1380 8.222}
{0 CHEMBL493084,1 1.679,2 7.826,3 3.569,4 12.741,5 90.483,6 8.186,7 0.615,8 3.819,9 3.918,10 3.525,11 3.411,12 4.907,13 3.375,14 4.355,15 4.511,16 3.897,17 3.803,18 5.405,19 3.75,20 4.541,21 4.722,22 3.973,23 3.88,24 5.574,25 3.813,26 4.557,27 4.776,28 3.862,29 3.873,30 5.527,31 3.77,32 4.464,33 4.648,34 3.879,35 3.875,36 5.518,37 3.774,38 4.49,39 4.658,40 3.851,41 3.912,42 5.469,43 3.808,44 4.521,45 4.704,46 3.658,47 3.857,48 5.49,49 3.711,50 4.574,51 4.847,52 3.374,53 3.638,54 5.425,55 3.443,56 0.039,57 0.596,58 7.821,59 3.839,60 6.65,61 4.458,62 0.225,63 1.006,64 16.858,65 6.588,66 17.294,67 7.61,68 0.312,69 1.199,70 21.273,71 7.289,72 25.622,73 9.181,74 0.267,75 1.239,76 24.355,77 8.243,78 26.354,79 10.101,80 0.327,81 1.128,82 22.292,83 7.954,84 31.092,85 9.412,86 0.226,87 1.161,88 22.07,89 7.939,90 15.228,91 9.089,92 0.204,93 1.091,94 20.236,95 8.756,96 19.115,97 10.881,98 0.227,99 1.025,100 26.52,101 9.81,102 29.216,103 12.798,104 5,105 37,106 0.296,107 0.658,108 0.794,109 0.829,110 0.829,111 0.829,112 3.19,113 0.979,114 -4.02,115 -3.97,116 -3.76,119 42.5,120 1,125 4,142 4,143 2,144 1,146 1,147 1,149 1,151 1,152 1,172 5,174 2,175 3,180 2,183 5,186 1,187 8,192 2,195 3,198 1,199 5,204 1,207 1,211 1,212 6,215 2,220 4,224 2,232 5,236 1,237 3,240 1,242 1,245 3,250 3,255 2,258 2,263 1,275 637,276 15.792,277 15.792,278 15.792,279 15.792,280 15.792,281 13.929,282 15.037,283 9.326,284 16.363,285 12.864,286 12.864,287 12.864,288 12.864,289 12.864,290 10.028,291 17.495,292 4.462,293 13.816,294 3.643,295 1.592,296 0.819,297 0.619,298 0.619,299 0.619,300 3.889,303 1,304 1,305 1,306 397,307 2,310 46.388,311 175.15,314 82.132,318 1.081,319 19.369,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.5,331 180,332 4.667,333 3.348,334 6.825,335 4.181,336 3.246,337 4.622,338 0.86,339 11.317,340 3.034,341 4.172,342 2.909,343 6.125,344 3.763,345 2.792,346 3.804,347 0.8,348 9.017,349 2.71,350 3.879,351 2.843,352 6.045,353 3.579,354 2.645,355 3.265,357 8.583,358 2.468,359 3.6,360 2.433,361 5.05,362 3.171,363 2.227,364 2.995,366 6.089,367 2.095,368 3.148,369 2.309,370 5.023,371 2.86,372 1.934,373 2.242,375 5.494,376 1.781,377 2.939,378 1.867,379 4.328,380 2.404,381 1.475,382 2.137,384 4.05,385 1.363,386 2.72,387 1.532,388 4.232,389 2.322,390 1.427,391 1.808,393 3.62,394 1.271,395 2.622,396 1.293,397 3.752,398 2.132,399 1.206,400 1.668,402 2.906,403 1.107,404 2.432,405 1.256,406 3.476,407 1.998,408 1.072,409 1.416,411 2.533,412 0.977,413 2.067,414 1.141,415 3.413,416 1.952,417 1,418 1,420 2.136,421 0.946,422 2,423 0.851,424 3.247,425 1.585,426 0.744,427 0.964,428 1.922,429 0.613,430 1.084,431 -0.056,432 2.752,433 0.644,434 -0.268,435 -0.339,436 -0.683,437 -0.237,438 0.92,439 -0.091,440 2.606,441 0.516,442 -0.408,443 -0.51,445 -0.927,446 -0.372,447 0.787,448 -0.36,449 2.254,450 0.384,451 -0.55,452 -0.66,454 -1.439,455 -0.51,456 0.617,457 -0.397,458 2,459 0.189,460 -0.781,461 -1,463 -2.113,464 -0.75,465 11.2,466 0.487,467 0.538,468 0.023,469 30.5,470 1.326,471 15,472 0.652,473 15.5,474 0.674,475 18.528,476 0.806,477 24.2,478 0.605,479 19.812,480 0.861,481 5.803,482 0.252,483 5.417,484 0.236,485 0.074,487 0.348,493 0.918,494 1.247,495 0.719,496 0.935,497 0.932,498 0.88,499 1.138,500 0.958,501 0.877,502 0.827,503 0.703,504 0.795,505 1.086,506 1.244,507 0.845,508 0.947,509 0.974,510 0.943,511 0.882,512 1.041,513 1.062,514 0.956,515 0.864,516 0.904,517 0.725,518 1.014,519 1.192,520 1.061,521 0.679,522 0.954,523 0.994,524 1.063,525 1.368,526 1.248,527 0.811,528 1.17,529 0.659,530 1.181,531 1.14,532 1.333,533 0.759,534 1.418,535 0.689,536 0.941,537 0.808,538 1.068,539 0.79,540 1.087,541 4,542 0.012,543 2.667,544 1.382,545 1.173,546 1.004,547 0.466,548 0.288,549 0.163,550 0.041,551 5289,552 14334,553 2.168,554 42.5,555 3,556 12,557 1,559 1,564 1.665,565 2.06,566 2.983,567 -0.284,569 1,571 1,573 67.148,574 1.679,575 3.73,576 4.503,577 4.703,578 4.703,579 4.703,580 2.403,581 4.263,582 4.496,583 3.098,584 783.815,585 7.784,586 8655.62,587 1,588 1,589 1,590 1,591 212.877,592 1.302,593 4.469,594 0.154,595 0.006,596 0.072,597 0.037,598 0.034,599 0.029,600 0.014,601 0.011,602 0.01,603 0.007,604 0.374,605 0.5,606 1,607 0.503,608 104.705,609 -0.07,610 -0.166,611 0.067,612 0.005,613 -0.108,614 0.018,615 -0.087,616 0.119,617 0.043,618 0.128,619 0.036,620 0.113,621 -0.052,622 -0.202,623 0.058,624 -0.028,625 -0.048,626 -0.027,627 -0.084,628 0.041,629 -0.025,630 0.034,631 -0.047,632 0.051,633 0.098,634 0.082,635 -0.09,636 0.007,637 0.134,638 0.005,639 -0.195,640 0.052,641 -0.311,642 -0.198,643 -0.155,644 -0.232,645 0.083,646 -0.227,647 -0.263,648 -0.366,649 -0.035,650 -0.436,651 0.128,652 -0.131,653 0.143,654 -0.103,655 0.146,656 -0.019,657 1.443,658 3.74,659 0.913,660 15.682,661 1.006,662 1.119,663 2.787,664 7.769,665 0.698,666 3.296,667 3.638,668 3.951,669 4.263,670 4.533,671 4.644,672 4.844,673 4.977,674 5.004,675 5.004,676 4.935,677 0.659,678 327.44,679 3.296,680 4.844,681 5.714,682 6.608,683 7.499,684 8.403,685 9.304,686 10.212,687 11.118,688 12.029,689 7.5,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,728 1,731 40,733 16,734 1,735 26,737 43,738 17,739 12,740 2,741 4,746 4,747 5,752 1,761 12,762 5,777 1,778 1,781 17,782 5,783 1,784 6,785 1,790 3,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 23,853 1,854 4,856 1,859 1,865 1,870 5,872 1,874 1,877 11.167,878 7.55,879 4.972,880 2.403,881 3.052,882 1.42,883 0.996,884 3.913,885 10.325,886 3.555,887 4.201,888 4.857,889 5.511,890 6.086,891 6.489,892 6.994,893 7.437,894 7.713,895 8.017,896 1,897 37,898 8.501,900 3.651,901 7.63,902 16.474,904 13.794,905 2.13,906 49,909 1,910 188.338,911 112.97,912 36.695,914 53.683,916 31.278,917 81.692,918 242.021,919 36.695,920 8.825,921 13.396,922 45.554,923 87.254,924 13.968,925 14.845,926 207.844,928 188.338,929 118.388,930 53.683,931 31.278,933 190.666,934 42.683,935 11,937 24.366,938 58.123,939 33.571,940 31.278,941 188.338,942 90.379,943 112.97,946 188.338,947 58.591,948 57.504,950 87.254,951 188.338,952 90.379,953 112.97,955 0.584,956 0.345,957 0.194,958 0.111,959 20,960 8,961 0.047,962 2,963 1,964 1.095,965 3.488,966 197.066,967 0.095,968 21,969 100.042,970 1,974 14.851,975 6.06,976 2.792,977 2.109,978 90.379,979 9.209,980 9.54,983 1.684,984 3.822,986 42.683,987 391.686,988 34,999 40.222,1000 44.74,1001 0.315,1002 0.701,1003 0.846,1004 0.884,1005 0.884,1006 0.884,1007 4.796,1008 1.206,1009 5.7,1010 3.62,1011 4.317,1012 4.887,1013 1.235,1014 6.538,1015 4.184,1016 6.009,1017 1.072,1018 7.27,1019 2.906,1020 3.892,1021 4.745,1022 0.325,1023 7.476,1024 3.726,1025 7.327,1026 1,1027 8.943,1028 2.533,1029 5.927,1030 7.161,1031 0.938,1032 10.621,1033 5.682,1034 8.686,1035 0.744,1036 10.678,1037 2.136,1038 6.347,1039 7.901,1040 0.268,1041 12.417,1042 6.057,1043 10.081,1044 -0.268,1045 12.453,1046 1.922,1047 7.843,1048 9.778,1049 0.732,1050 15.071,1051 7.486,1052 11.503,1053 -0.408,1054 14.256,1055 -0.683,1056 8.655,1057 10.931,1058 0.188,1059 17.217,1060 8.24,1061 12.945,1062 -0.55,1063 16.08,1064 -0.927,1065 9.934,1066 12.59,1067 0.57,1068 19.707,1069 9.457,1070 3.246,1071 -0.781,1072 17.919,1073 -1.439,1074 10.931,1075 13.94,1076 0.125,1077 22.003,1078 10.387,1079 2.792,1080 11.317,1081 19.769,1082 -2.113,1083 12.125,1084 15.512,1085 0.438,1086 24.438,1087 11.52,1088 2.645,1089 9.017,1090 21.629,1091 4.622,1092 13.209,1093 16.955,1094 0.082,1095 26.801,1096 12.533,1097 2.227,1098 8.583,1099 23.497,1100 3.804,1101 14.375,1102 18.494,1103 0.334,1104 29.221,1105 13.634,1106 1.934,1107 6.089,1108 25.37,1109 3.265,1110 15.499,1111 19.98,1112 0.054,1113 31.614,1114 14.687,1115 1.475,1116 5.494,1117 27.249,1118 2.995,1119 16.659,1120 21.509,1121 0.252,1122 34.032,1123 15.78,1124 1.427,1125 4.05,1126 29.133,1127 2.242,1128 17.804,1129 23.016,1130 0.035,1131 36.44,1132 16.853,1133 5009,1134 8357,1135 17.8,1136 27.904,1137 39.722,1138 39.791,1139 40.418,1140 39.504,1141 39.534,1142 51.839,1143 3.32,1144 115.334,1145 36.73,1146 5.667,1147 5.348,1148 6.627,1149 5.289,1150 5.246,1151 7.622,1152 1.72,1153 18.69,1154 5.034,1155 8.34,1156 1.528,1157 1.53,1158 1.555,1159 1.519,1160 1.521,1161 1.994,1162 0.128,1163 4.436,1164 1.413,1165 4.095,1166 4.118,1167 4.327,1168 4.065,1169 6.471,1170 4.027,1171 3.86,1172 3.879,1173 3.854,1174 3.815,1175 5.038,1176 3.801,1177 3.73,1178 3.78,1179 3.642,1180 3.525,1181 4.616,1182 3.536,1183 3.325,1184 3.385,1185 3.336,1186 3.156,1187 4.585,1188 3.168,1189 3.111,1190 3.206,1191 3.081,1192 2.941,1193 4.296,1194 2.91,1195 3.02,1196 3.061,1197 2.866,1198 2.936,1199 3.963,1200 2.882,1201 2.923,1202 2.967,1203 2.826,1204 2.746,1205 3.623,1206 2.748,1207 2.85,1208 2.931,1209 2.749,1210 2.636,1211 3.545,1212 2.597,1213 0.179,1214 0.129,1215 0.263,1216 0.161,1217 0.125,1218 4.667,1219 0.178,1220 3.348,1221 0.033,1222 6.825,1223 0.435,1224 4.181,1225 0.117,1226 3.246,1227 4.622,1228 0.86,1229 11.317,1230 3.034,1231 1.939,1232 1.914,1233 2.015,1234 2.064,1235 1.22,1236 2.049,1237 1.779,1238 1.747,1239 1.925,1240 1.943,1241 1.085,1242 1.942,1243 1.634,1244 1.587,1245 1.814,1246 1.802,1247 0.953,1248 1.804,1249 1.467,1250 1.45,1251 1.538,1252 1.578,1253 0.825,1254 1.615,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.756,1260 1.429,1261 1.007,1262 0.98,1263 1.147,1264 1.162,1265 0.304,1266 1.178,1267 0.883,1268 0.839,1269 1.119,1270 1.119,1271 0.235,1272 1.13,1273 0.794,1274 0.716,1275 1.083,1276 1.025,1277 0.201,1278 1.071,1279 3.97,1281 5.303,1282 2.398,1283 6.841,1284 4.727,1285 8.47,1286 6.823,1287 10.15,1289 2.071,1294 9.74,1295 3.111,1297 5.454,1300 2.26,1305 26.369,1306 67.148,1307 149.214,1308 180.122,1309 188.122,1310 188.122,1311 188.122,1312 28.83,1313 7.273,1314 58.48,1315 86.72,1316 23,1317 12.545,1318 4.087,1319 3.17,1320 31.542,1321 69,1322 62,1323 0.234,1324 163.281,1325 271.13,1326 390.166,1327 12582,1329 15.811,1330 0.687,1331 0.593,1332 16.165,1333 13.637,1334 11.22,1335 0.432,1336 0.326,1337 7.565,1338 10.344,1339 7.3,1340 5.994,1341 11.674,1342 8.481,1343 10.208,1344 0.276,1345 0.176,1346 10.732,1347 6.497,1348 8.835,1349 0.173,1350 0.099,1351 9.615,1352 5.073,1353 7.613,1354 0.109,1355 0.054,1356 8.47,1357 3.786,1358 6.387,1359 0.069,1360 0.028,1361 7.079,1362 2.568,1363 0.349,1364 74.832,1365 0.237,1366 21.941,1367 0.696,1368 126,1369 359.681,1370 159.898,1371 366.567,1372 508.55,1373 346,1374 151,1375 363.517,1376 185.971,1377 382.474,1378 567.35,1379 360,1380 7.678}
{0 CHEMBL493090,1 1.61,2 11.063,3 3.317,4 11,5 128.233,6 7.621,7 0.541,8 4.207,9 4.334,10 3.853,11 3.74,12 5.188,13 3.709,14 4.798,15 4.993,16 4.246,17 4.177,18 5.713,19 4.123,20 5.002,21 5.213,22 4.281,23 4.319,24 5.857,25 4.22,26 5.083,27 5.338,28 4.253,29 4.338,30 5.893,31 4.203,32 5.019,33 5.269,34 4.269,35 4.315,36 5.881,37 4.179,38 4.882,39 5.057,40 4.262,41 4.308,42 5.783,43 4.197,44 4.941,45 5.145,46 4.236,47 4.286,48 5.825,49 4.179,50 4.998,51 5.223,52 4.142,53 4.257,54 5.823,55 4.133,56 0.039,57 0.982,58 12.99,59 5.328,60 7.404,61 7.044,62 0.346,63 1.63,64 27.525,65 8.815,66 22.394,67 11.817,68 0.419,69 1.924,70 37.709,71 11.688,72 25.984,73 16.301,74 0.25,75 1.978,76 39.131,77 13.831,78 30.16,79 19.375,80 0.534,81 1.915,82 44.653,83 13.908,84 41.065,85 17.734,86 0.269,87 1.799,88 36.449,89 12.304,90 22.329,91 15.24,92 0.266,93 1.801,94 32.151,95 11.873,96 26.164,97 15.958,98 0.341,99 1.858,100 38.776,101 12.079,102 27.412,103 16.412,104 2,105 53,106 0.259,107 0.583,108 0.735,109 0.798,110 0.82,111 0.82,112 3.503,113 0.975,114 -3.56,115 -3.53,116 -3.37,119 39,124 1,125 9,142 4,143 2,145 1,146 1,147 1,149 1,152 3,168 1,172 4,174 2,175 4,180 2,183 5,186 2,187 11,192 2,195 2,198 1,199 7,204 1,207 1,211 4,212 4,215 2,220 3,223 2,224 4,232 3,236 2,237 5,240 1,242 1,245 2,249 1,250 5,255 1,258 1,262 3,263 2,275 1682,276 22.325,277 22.325,278 22.325,279 22.325,280 22.325,281 20.154,282 23.11,283 13.182,284 23.154,285 18.351,286 18.351,287 18.351,288 18.351,289 18.351,290 14.943,291 33.305,292 6.344,293 19.707,294 4.272,295 2.26,296 1.318,297 0.928,298 0.792,299 0.792,300 4.228,304 1,305 1,306 806,307 2.55,310 129.738,311 342.51,314 238.552,318 1.691,319 19.846,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68.5,331 354,332 4.67,333 3.345,334 6.793,335 4.197,336 3.253,337 4.618,338 0.916,339 11.247,340 3.106,341 4.507,342 3.099,343 6.634,344 4.021,345 3.06,346 4.443,347 0.86,348 10.64,349 2.899,350 3.904,351 3.035,352 5.869,353 3.621,354 2.701,355 3.382,356 0.8,357 8.29,358 2.478,359 3.774,360 2.795,361 5.747,362 3.46,363 2.539,364 3.119,365 0.8,366 7.777,367 2.339,368 3.614,369 2.566,370 5.502,371 3.361,372 2.416,373 2.717,374 0.172,375 7.319,376 2.278,377 3.321,378 2.384,379 5.07,380 3.076,381 2.154,382 2.481,384 6.095,385 1.978,386 3.05,387 2.259,388 4.781,389 2.766,390 1.852,391 2.322,393 5.288,394 1.685,395 3.025,396 1.976,397 4.705,398 2.604,399 1.704,400 2.204,402 4.821,403 1.53,404 3.014,405 1.551,406 4.594,407 2.536,408 1.548,409 2.092,411 4.467,412 1.518,413 2.877,414 1.547,415 4.056,416 2.406,417 1.463,418 1.945,420 3.569,421 1.372,422 2.5,423 1.478,424 3.766,425 2.101,426 1.241,427 1.5,428 2.961,429 1.055,430 2.399,431 1.256,432 3.427,433 1.97,434 1,435 1.387,436 2.275,437 0.968,438 2.032,439 1.146,440 3.414,441 1.967,442 1,443 1,445 2.232,446 0.965,447 2,448 1,449 3.392,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.698,458 3.247,459 1.54,460 0.633,461 0.866,463 1.778,464 0.563,465 15.467,466 0.483,467 0.688,468 0.021,469 39.25,470 1.227,471 16.5,472 0.516,473 22.75,474 0.711,475 31.122,476 0.973,477 34.333,478 0.582,479 28.145,480 0.88,481 7.523,482 0.235,483 8.219,484 0.257,485 0.032,487 0.336,493 0.881,494 1.445,495 0.741,496 1.064,497 0.737,498 0.972,499 1.494,500 0.95,501 0.894,502 0.722,503 1.032,504 0.763,505 1.042,506 1.165,507 1.097,508 1.131,509 0.914,510 1.048,511 0.634,512 1.091,513 0.778,514 0.934,515 0.734,516 0.937,517 0.819,518 0.768,519 1.279,520 1.008,521 0.924,522 0.803,523 0.917,524 1.256,525 1.532,526 1.513,527 1.103,528 1.219,529 0.839,530 1.156,531 0.973,532 1.109,533 0.938,534 1.107,535 1.094,536 1.201,537 1.28,538 1.271,539 1.151,540 1.167,541 5.5,542 0.137,543 3.111,544 1.944,545 1.381,546 1.122,547 0.796,548 0.462,549 0.332,550 0.163,551 14641,552 33123,553 2.25,554 45.8,556 25,558 1,559 1,564 1.751,565 2.182,566 3.414,567 -0.31,573 95.001,574 1.61,575 3.622,576 4.564,577 4.955,578 5.09,579 5.09,580 2.891,581 4.688,582 4.967,583 3.591,584 1781.26,585 8.727,586 25211.3,588 1,591 347.076,592 1.11,593 4.962,594 0.149,595 0.005,596 0.059,597 0.037,598 0.028,599 0.022,600 0.016,601 0.009,602 0.008,603 0.005,604 0.336,605 0.33,606 0.88,607 0.313,608 165.549,609 0.043,610 -0.243,611 0.1,612 -0.065,613 0.103,614 -0.013,615 -0.209,616 0.179,617 0.059,618 0.229,619 -0.013,620 0.157,621 -0.042,622 -0.099,623 -0.059,624 -0.087,625 0.005,626 -0.068,627 0.074,628 -0.123,629 0.173,630 0.057,631 0.165,632 0.073,633 0.093,634 0.291,635 0.047,636 0.188,637 0.14,638 0.214,639 -0.055,640 -0.095,641 -0.246,642 -0.256,643 -0.178,644 -0.195,645 0.054,646 -0.099,647 -0.026,648 -0.096,649 0.002,650 -0.12,651 -0.122,652 -0.148,653 -0.187,654 -0.207,655 -0.192,656 -0.184,657 0.907,658 2.105,659 0.938,660 33.098,661 0.999,662 1.132,663 2.328,664 5.421,665 0.674,666 3.638,667 3.989,668 4.317,669 4.654,670 4.92,671 5.069,672 5.328,673 5.545,674 5.697,675 5.878,676 6.638,677 0.633,678 449.64,679 3.638,680 5.198,681 6.075,682 6.974,683 7.869,684 8.776,685 9.68,686 10.591,687 11.501,688 12.415,689 11.9,692 2,695 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 59,733 20,734 1,735 37,737 64,738 23,739 13,740 3,741 3,746 6,747 8,761 13,762 10,781 27,782 7,783 1,784 9,785 1,790 7,794 0.667,795 1,803 1,806 1,811 2,812 4,815 2,836 2,839 1,840 4,842 1,844 1,848 32,854 9,856 1,859 3,865 1,870 1.7,874 1,877 14.667,878 10.95,879 6.833,880 3.656,881 3.905,882 1.459,883 1.045,884 5.553,885 12.414,886 3.871,887 4.505,888 5.172,889 5.859,890 6.42,891 6.896,892 7.458,893 7.983,894 8.341,895 8.812,896 1,897 52,898 11.86,900 5.121,901 7.427,902 23.547,904 20.196,905 1.927,906 61.667,909 1,910 306.049,911 127.358,912 76.27,914 11,916 31.278,917 96.08,918 317.049,919 76.27,920 8.396,921 23.925,922 37.905,923 73.005,924 45.314,925 6.576,926 325.555,928 306.049,929 172.35,930 11,931 31.278,933 308.377,935 11,937 58.028,938 61.76,939 50.234,940 31.278,941 306.049,942 87.27,943 127.358,946 306.049,947 72.009,948 64.722,949 16.663,950 61.234,951 306.049,952 87.27,953 127.358,955 0.584,956 0.345,957 0.197,958 0.109,959 29,960 11,961 0.063,962 4,963 2,964 1.133,965 4.361,966 319.986,967 0.133,968 30,969 152,970 1,974 20.487,975 8.673,976 4.045,977 4.262,978 70.607,979 10.276,980 14.354,981 3.058,983 1.84,984 4.157,986 16.663,987 520.677,988 47,999 58.952,1000 66.77,1001 0.274,1002 0.616,1003 0.776,1004 0.842,1005 0.865,1006 0.865,1007 5.13,1008 1.704,1009 6.057,1010 5.288,1011 4.673,1012 5.193,1013 1.775,1014 6.893,1015 4.538,1016 6.327,1017 1.548,1018 7.62,1019 4.821,1020 4.205,1021 5.037,1022 0.766,1023 7.803,1024 4.008,1025 7.64,1026 1.463,1027 9.284,1028 4.467,1029 6.282,1030 7.46,1031 1.379,1032 10.953,1033 6.031,1034 8.992,1035 1.241,1036 11.009,1037 3.569,1038 6.673,1039 8.23,1040 0.74,1041 12.733,1042 6.369,1043 10.384,1044 1,1045 12.775,1046 2.961,1047 8.185,1048 10.099,1049 1.116,1050 15.385,1051 7.831,1052 11.803,1053 1,1054 14.57,1055 2.275,1056 8.978,1057 11.289,1058 0.632,1059 17.524,1060 8.577,1061 13.245,1062 1,1063 16.386,1064 2.232,1065 10.263,1066 12.943,1067 0.91,1068 20.011,1069 9.816,1070 3.253,1071 0.633,1072 18.219,1073 2.136,1074 11.248,1075 14.319,1076 0.524,1077 22.299,1078 10.757,1079 3.06,1080 11.247,1081 20.064,1082 1.778,1083 12.443,1084 15.889,1085 0.742,1086 24.729,1087 11.908,1088 2.701,1089 10.64,1090 21.92,1091 4.618,1092 13.518,1093 17.345,1094 0.43,1095 27.082,1096 12.94,1097 2.539,1098 8.29,1099 23.784,1100 4.443,1101 14.682,1102 18.881,1103 0.603,1104 29.492,1105 14.06,1106 2.416,1107 7.777,1108 25.654,1109 3.382,1110 15.8,1111 20.371,1112 0.353,1113 31.873,1114 15.135,1115 2.154,1116 7.319,1117 27.531,1118 3.119,1119 16.955,1120 21.894,1121 0.489,1122 34.278,1123 16.247,1124 1.852,1125 6.095,1126 29.412,1127 2.717,1128 18.094,1129 23.399,1130 0.29,1131 36.671,1132 17.342,1133 13237,1134 20122,1135 25.948,1136 39.756,1137 56.467,1138 56.369,1139 56.744,1140 56.331,1141 56.276,1142 71.693,1143 7.098,1144 164.771,1145 52.419,1146 5.67,1147 5.345,1148 6.595,1149 5.337,1150 5.253,1151 7.618,1152 1.776,1153 18.517,1154 5.106,1155 7.939,1156 1.526,1157 1.523,1158 1.534,1159 1.522,1160 1.521,1161 1.938,1162 0.192,1163 4.453,1164 1.417,1165 4.152,1166 4.186,1167 4.34,1168 4.091,1169 5.13,1170 4.071,1171 4.01,1172 4.042,1173 4.056,1174 3.956,1175 4.975,1176 3.934,1177 3.825,1178 3.901,1179 3.71,1180 3.617,1181 4.612,1182 3.629,1183 3.724,1184 3.775,1185 3.647,1186 3.523,1187 4.442,1188 3.531,1189 3.421,1190 3.488,1191 3.428,1192 3.234,1193 4.377,1194 3.251,1195 3.312,1196 3.39,1197 3.209,1198 3.134,1199 4.234,1200 3.14,1201 3.157,1202 3.233,1203 3.077,1204 2.964,1205 3.977,1206 2.958,1207 3.111,1208 3.206,1209 2.904,1210 2.941,1211 3.863,1212 2.91,1213 0.126,1214 0.09,1215 0.184,1216 0.113,1217 0.088,1218 4.67,1219 0.125,1220 3.345,1221 0.025,1222 6.793,1223 0.304,1224 4.197,1225 0.084,1226 3.253,1227 4.618,1228 0.916,1229 11.247,1230 3.106,1231 1.975,1232 1.952,1233 2.038,1234 2.077,1235 1.312,1236 2.065,1237 1.795,1238 1.757,1239 1.998,1240 2.019,1241 1.224,1242 2.021,1243 1.79,1244 1.726,1245 1.928,1246 1.964,1247 1.168,1248 1.959,1249 1.602,1250 1.554,1251 1.74,1252 1.793,1253 0.932,1254 1.777,1255 1.486,1256 1.46,1257 1.61,1258 1.639,1259 0.862,1260 1.656,1261 1.307,1262 1.232,1263 1.513,1264 1.604,1265 0.825,1266 1.572,1267 1.153,1268 1.064,1269 1.513,1270 1.383,1271 0.825,1272 1.432,1273 1.153,1274 1.064,1275 1.473,1276 1.376,1277 0.619,1278 1.429,1279 4.317,1281 5.659,1282 3.045,1283 7.197,1284 5.352,1285 8.825,1286 7.424,1287 10.502,1289 2.197,1295 8.631,1297 5.605,1300 7.286,1305 37.32,1306 95.001,1307 213.718,1308 269.302,1309 292.321,1310 300.321,1311 300.321,1312 37.476,1313 8.51,1314 73.41,1315 101.65,1316 34,1317 12.929,1318 4.392,1319 3.459,1320 41.104,1321 128,1322 151,1323 0.158,1324 226.302,1325 371.88,1326 543.937,1327 59685,1329 21.493,1330 0.672,1331 0.596,1332 21.847,1333 19.067,1334 15.742,1335 0.425,1336 0.325,1337 11.084,1338 14.578,1339 10.78,1340 8.81,1341 16.151,1342 12.026,1343 14.366,1344 0.271,1345 0.184,1346 15.008,1347 9.75,1348 12.621,1349 0.171,1350 0.102,1351 13.408,1352 7.521,1353 11.167,1354 0.107,1355 0.055,1356 12.104,1357 5.697,1358 9.369,1359 0.069,1360 0.031,1361 10.262,1362 4.177,1363 0.244,1364 103.191,1365 0.196,1366 29.496,1367 0.45,1368 180,1369 466.799,1370 222.073,1371 470.923,1372 664.86,1373 448,1374 217,1375 487.802,1376 260.557,1377 509.691,1378 758.28,1379 480,1380 7.357}
{0 CHEMBL493289,1 1.651,2 8.577,3 3.448,4 11.89,5 103.862,6 7.719,7 0.552,8 3.985,9 4.098,10 3.634,11 3.529,12 5.039,13 3.491,14 4.537,15 4.722,16 4.02,17 3.931,18 5.535,19 3.872,20 4.713,21 4.897,22 4.065,23 4.045,24 5.696,25 3.952,26 4.795,27 5.051,28 4.047,29 4.054,30 5.675,31 3.931,32 4.658,33 4.836,34 4.039,35 4.077,36 5.689,37 3.955,38 4.707,39 4.896,40 4.01,41 4.071,42 5.651,43 3.964,44 4.687,45 4.877,46 3.9,47 4.001,48 5.665,49 3.892,50 4.772,51 5.018,52 3.721,53 3.916,54 5.633,55 3.778,56 0.027,57 0.737,58 10.422,59 4.557,60 7.973,61 5.697,62 0.29,63 1.214,64 21.6,65 7.422,66 21.844,67 9.339,68 0.323,69 1.43,70 29.102,71 9.164,72 28.854,73 12.062,74 0.271,75 1.475,76 30.663,77 10.493,78 30.783,79 14.164,80 0.382,81 1.409,82 32.271,83 10.548,84 36.903,85 12.283,86 0.26,87 1.43,88 28.219,89 9.847,90 20.492,91 12.385,92 0.25,93 1.339,94 24.932,95 9.271,96 26.304,97 12.135,98 0.325,99 1.33,100 29.566,101 9.71,102 30.121,103 13.101,104 12,105 41,106 0.281,107 0.612,108 0.768,109 0.809,110 0.809,111 0.809,112 3.305,113 0.982,114 -3.72,115 -3.68,116 -3.5,119 39.6,124 2,125 5,142 5,143 1,144 1,146 1,147 1,149 1,152 2,172 4,174 2,175 3,180 2,183 5,186 1,187 9,192 2,195 2,198 1,199 5,204 1,207 1,211 2,212 4,215 2,220 3,223 2,224 2,232 3,236 1,237 4,240 1,242 1,245 2,250 4,255 1,258 1,262 1,263 2,275 976,276 17.602,277 17.602,278 17.602,279 17.602,280 17.602,281 15.811,282 19.676,283 10.496,284 18.287,285 14.397,286 14.397,287 14.397,288 14.397,289 14.397,290 11.585,291 25.718,292 5.08,293 15.546,294 3.934,295 1.984,296 1.065,297 0.823,298 0.823,299 0.823,300 4.003,303 1,304 1,305 1,306 482,307 2.828,310 54.278,311 210.608,314 98.556,318 1.346,319 20.383,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56,331 223,332 4.638,333 3.334,334 6.753,335 4.151,336 3.224,337 4.578,338 0.916,339 11.115,340 2.987,341 4.174,342 2.933,343 6.127,344 3.763,345 2.798,346 3.804,347 0.86,348 9.028,349 2.696,350 3.854,351 2.88,352 5.858,353 3.553,354 2.636,355 3.229,356 0.8,357 8.233,358 2.412,359 3.618,360 2.612,361 5.253,362 3.242,363 2.313,364 2.985,365 0.172,366 6.566,367 2.141,368 3.404,369 2.391,370 5.045,371 3.114,372 2.178,373 2.611,375 6.033,376 2.031,377 3.015,378 2.252,379 4.69,380 2.737,381 1.824,382 2.12,384 4.836,385 1.659,386 2.96,387 1.926,388 4.394,389 2.561,390 1.664,391 2.065,393 4.403,394 1.476,395 2.817,396 1.548,397 4.277,398 2.348,399 1.398,400 1.903,402 3.86,403 1.322,404 2.597,405 1.471,406 3.751,407 2.122,408 1.245,409 1.642,411 2.947,412 1.091,413 2.378,414 1.256,415 3.476,416 2.057,417 1.095,418 1.363,420 2.532,421 1.036,422 2,423 1.115,424 3.39,425 1.952,426 1,427 1,428 2.136,429 0.946,430 1.93,431 0.609,432 3.247,433 1.404,434 0.535,435 0.733,436 1.564,437 0.456,438 1.085,439 0.09,440 2.773,441 0.739,442 -0.197,443 -0.232,445 -0.549,446 -0.184,447 0.941,448 -0.057,449 2.6,450 0.538,451 -0.395,452 -0.502,454 -0.886,455 -0.363,456 0.77,457 -0.312,458 2.511,459 0.429,460 -0.479,461 -0.561,463 -1.282,464 -0.429,465 12.6,466 0.485,467 0.661,468 0.025,469 32.75,470 1.26,471 15,472 0.577,473 17.75,474 0.683,475 22.66,476 0.872,477 28.2,478 0.588,479 23.157,480 0.891,481 6.38,482 0.245,483 6.217,484 0.239,485 0.106,487 0.341,493 0.939,494 1.424,495 0.756,496 1.039,497 0.937,498 0.968,499 1.277,500 0.84,501 0.85,502 0.687,503 0.714,504 0.716,505 1.048,506 1.362,507 1.152,508 1.25,509 1.003,510 1.115,511 0.687,512 0.924,513 0.706,514 0.74,515 0.691,516 0.739,517 0.782,518 1.14,519 1.702,520 1.442,521 0.766,522 1.092,523 0.861,524 1.131,525 1.24,526 1.252,527 0.764,528 1.161,529 0.863,530 1.231,531 1.095,532 1.22,533 0.827,534 1.251,535 1.088,536 0.972,537 0.995,538 1.023,539 1.022,540 1.104,541 5.5,542 0.107,543 2.222,544 1.757,545 1.338,546 1.15,547 0.589,548 0.419,549 0.306,550 0.151,551 7330,552 18743,553 2.124,554 45.8,556 21,559 1,564 1.699,565 2,566 3.125,567 -0.294,569 1,573 79.26,574 1.651,575 3.601,576 4.52,577 4.762,578 4.762,579 4.762,580 2.519,581 4.316,582 4.667,583 3.292,584 1069.97,585 8.137,586 13067.4,588 1,590 1,591 268.078,592 1.37,593 4.637,594 0.19,595 0.011,596 0.054,597 0.044,598 0.033,599 0.028,600 0.015,601 0.012,602 0.011,603 0.008,604 0.406,605 0.33,606 1,607 0.902,608 124.629,609 -0.053,610 -0.264,611 0.077,612 -0.042,613 -0.091,614 -0.009,615 -0.144,616 0.286,617 0.109,618 0.275,619 0.046,620 0.209,621 -0.049,622 -0.279,623 -0.081,624 -0.184,625 -0.075,626 -0.144,627 0.047,628 0.072,629 0.274,630 0.232,631 0.079,632 0.252,633 0.066,634 0.048,635 -0.274,636 -0.129,637 0.077,638 -0.074,639 -0.057,640 -0.012,641 -0.19,642 -0.188,643 -0.087,644 -0.185,645 0.013,646 -0.172,647 -0.199,648 -0.256,649 -0.013,650 -0.289,651 -0.118,652 -0.01,653 -0.104,654 -0.121,655 -0.075,656 -0.145,657 1.447,658 3.823,659 0.808,660 23.006,661 1.002,662 1.126,663 2.485,664 6.176,665 0.676,666 3.401,667 3.738,668 4.007,669 4.344,670 4.615,671 4.771,672 5.004,673 5.153,674 5.247,675 5.298,676 5.571,677 0.634,678 370.52,679 3.401,680 4.949,681 5.802,682 6.696,683 7.575,684 8.479,685 9.372,686 10.282,687 11.183,688 12.096,689 8.3,692 1,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,728 1,731 48,733 16,734 1,735 29,737 51,738 19,739 12,740 2,741 4,746 4,747 5,761 12,762 7,777 1,778 1,781 22,782 6,783 1,784 7,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,836 1,839 1,840 3,842 1,844 2,848 26,853 1,854 5,856 1,859 2,865 1,870 4.2,872 1,874 1,877 13,878 9.25,879 5.611,880 2.785,881 3.005,882 1.4,883 0.978,884 5.071,885 10.515,886 3.638,887 4.259,888 4.878,889 5.552,890 6.14,891 6.57,892 7.094,893 7.551,894 7.867,895 8.204,896 0.833,897 40,898 9.615,900 4.063,901 7.596,902 18.705,904 15.454,905 2.096,906 54.5,909 1,910 247.193,911 123.043,912 39.82,914 53.683,916 31.278,917 91.766,918 300.876,919 39.82,920 16.793,921 15.502,922 47.381,923 87.254,924 13.906,925 4.432,926 278.471,928 247.193,929 131.585,930 53.683,931 31.278,933 249.521,934 42.683,935 11,937 20.77,938 74.916,939 33.571,940 31.278,941 247.193,942 93.503,943 123.043,946 247.193,947 58.869,948 70.423,950 87.254,951 247.193,952 93.503,953 123.043,955 0.58,956 0.322,957 0.187,958 0.109,959 21,960 9,961 0.078,962 4,963 1,964 1.095,965 3.737,966 229.601,967 0.095,968 21,969 116.211,970 1,974 17.65,975 7.469,976 3.852,977 2.078,978 93.503,979 9.259,980 9.655,983 1.754,984 3.914,986 42.683,987 463.739,988 37,999 48.091,1000 54.069,1001 0.296,1002 0.645,1003 0.809,1004 0.853,1005 0.853,1006 0.853,1007 4.883,1008 1.398,1009 5.79,1010 4.403,1011 4.419,1012 4.945,1013 1.598,1014 6.608,1015 4.272,1016 6.087,1017 1.245,1018 7.344,1019 3.86,1020 4.007,1021 4.796,1022 0.57,1023 7.486,1024 3.786,1025 7.395,1026 1.095,1027 8.997,1028 2.947,1029 6.009,1030 7.181,1031 1.256,1032 10.621,1033 5.731,1034 8.74,1035 1,1036 10.709,1037 2.532,1038 6.399,1039 7.886,1040 0.581,1041 12.354,1042 6.04,1043 10.121,1044 0.535,1045 12.461,1046 2.136,1047 7.887,1048 9.76,1049 1.023,1050 15.002,1051 7.479,1052 11.527,1053 -0.197,1054 14.242,1055 1.564,1056 8.665,1057 10.882,1058 0.515,1059 17.106,1060 8.173,1061 12.954,1062 -0.395,1063 16.043,1064 -0.549,1065 9.94,1066 12.54,1067 0.84,1068 19.584,1069 9.395,1070 3.224,1071 -0.479,1072 17.862,1073 -0.886,1074 10.911,1075 13.867,1076 0.441,1077 21.851,1078 10.281,1079 2.798,1080 11.115,1081 19.694,1082 -1.282,1083 12.1,1084 15.435,1085 0.689,1086 24.271,1087 11.41,1088 2.636,1089 9.028,1090 21.536,1091 4.578,1092 13.164,1093 16.861,1094 0.373,1095 26.611,1096 12.391,1097 2.313,1098 8.233,1099 23.388,1100 3.804,1101 14.323,1102 18.393,1103 0.564,1104 29.014,1105 13.483,1106 2.178,1107 6.566,1108 25.246,1109 3.229,1110 15.434,1111 19.866,1112 0.314,1113 31.387,1114 14.513,1115 1.824,1116 6.033,1117 27.112,1118 2.985,1119 16.585,1120 21.386,1121 0.461,1122 33.787,1123 15.592,1124 1.664,1125 4.836,1126 28.982,1127 2.611,1128 17.719,1129 22.881,1130 0.264,1131 36.176,1132 16.646,1133 7042,1134 11395,1135 19.592,1136 32.432,1137 44.148,1138 43.968,1139 44.659,1140 43.828,1141 43.818,1142 56.069,1143 5.498,1144 126.502,1145 40.506,1146 5.638,1147 5.334,1148 6.555,1149 5.283,1150 5.224,1151 7.578,1152 1.776,1153 18.36,1154 4.987,1155 11.514,1156 1.522,1157 1.516,1158 1.54,1159 1.511,1160 1.511,1161 1.933,1162 0.19,1163 4.362,1164 1.397,1165 4.097,1166 4.121,1167 4.337,1168 4.069,1169 6.471,1170 4.028,1171 3.862,1172 3.883,1173 3.857,1174 3.817,1175 5.04,1176 3.802,1177 3.736,1178 3.791,1179 3.648,1180 3.529,1181 4.616,1182 3.541,1183 3.579,1184 3.663,1185 3.448,1186 3.346,1187 4.583,1188 3.359,1189 3.237,1190 3.288,1191 3.287,1192 3.087,1193 4.363,1194 3.083,1195 3.111,1196 3.206,1197 2.914,1198 2.941,1199 4.156,1200 2.91,1201 2.964,1202 3.009,1203 2.866,1204 2.785,1205 3.953,1206 2.791,1207 2.915,1208 3.003,1209 2.814,1210 2.745,1211 3.554,1212 2.745,1213 0.16,1214 0.115,1215 0.233,1216 0.143,1217 0.111,1218 4.638,1219 0.158,1220 3.334,1221 0.032,1222 6.753,1223 0.383,1224 4.151,1225 0.103,1226 3.224,1227 4.578,1228 0.916,1229 11.115,1230 2.987,1231 1.937,1232 1.912,1233 2.013,1234 2.061,1235 1.218,1236 2.047,1237 1.773,1238 1.74,1239 1.924,1240 1.943,1241 1.083,1242 1.942,1243 1.66,1244 1.611,1245 1.86,1246 1.863,1247 1.056,1248 1.874,1249 1.575,1250 1.532,1251 1.702,1252 1.759,1253 0.855,1254 1.751,1255 1.303,1256 1.245,1257 1.513,1258 1.434,1259 0.825,1260 1.487,1261 1.153,1262 1.064,1263 1.456,1264 1.376,1265 0.685,1266 1.429,1267 0.97,1268 0.944,1269 1.417,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.838,1275 1.151,1276 1.154,1277 0.264,1278 1.135,1279 4.078,1281 5.407,1282 2.398,1283 6.927,1284 4.727,1285 8.538,1286 6.843,1287 10.201,1289 4.133,1294 9.823,1295 3.954,1297 5.5,1300 4.429,1305 30.444,1306 79.26,1307 172.859,1308 216.959,1309 228.568,1310 228.568,1311 228.568,1312 35.152,1313 7.509,1314 61.72,1315 89.96,1316 23,1317 12.612,1318 4.087,1319 3.17,1320 37.653,1321 86,1322 85,1323 0.219,1324 189.26,1325 316.73,1326 453.555,1327 16526,1329 18.096,1330 0.696,1331 0.607,1332 18.449,1333 15.791,1334 12.597,1335 0.434,1336 0.327,1337 8.591,1338 11.599,1339 8.256,1340 6.829,1341 13.006,1342 9.489,1343 11.716,1344 0.286,1345 0.191,1346 12.358,1347 7.822,1348 9.281,1349 0.172,1350 0.1,1351 10.069,1352 5.397,1353 8.339,1354 0.11,1355 0.057,1356 9.326,1357 4.348,1358 6.87,1359 0.069,1360 0.029,1361 7.708,1362 2.928,1363 0.33,1364 83.417,1365 0.226,1366 24.57,1367 0.641,1368 140,1369 393.326,1370 178.654,1371 398.977,1372 550.37,1373 376,1374 165,1375 389.269,1376 203.751,1377 412.974,1378 609.08,1379 386,1380 8.523}
{0 CHEMBL493290,1 1.65,2 10.862,3 3.317,4 11.004,5 114.905,6 7.538,7 0.5,8 4.114,9 4.226,10 3.735,11 3.625,12 5.158,13 3.592,14 4.678,15 4.863,16 4.095,17 4.016,18 5.658,19 3.959,20 4.844,21 5.036,22 4.152,23 4.142,24 5.798,25 4.05,26 4.934,27 5.182,28 4.146,29 4.178,30 5.801,31 4.054,32 4.901,33 5.115,34 4.169,35 4.215,36 5.861,37 4.089,38 4.859,39 5.039,40 4.166,41 4.227,42 5.797,43 4.11,44 4.915,45 5.135,46 4.069,47 4.167,48 5.826,49 4.046,50 4.898,51 5.129,52 3.924,53 4.077,54 5.788,55 3.947,56 0.037,57 0.825,58 12.362,59 5.291,60 9.044,61 6.681,62 0.401,63 1.334,64 25.7,65 8.484,66 28.213,67 10.763,68 0.459,69 1.583,70 33.516,71 10.142,72 33.208,73 13.835,74 0.296,75 1.66,76 34.576,77 11.905,78 33.234,79 16.341,80 0.575,81 1.656,82 40.599,83 12.68,84 48.735,85 15.504,86 0.303,87 1.651,88 35.171,89 12.095,90 24.127,91 15.079,92 0.339,93 1.596,94 33.523,95 11.955,96 32.985,97 15.977,98 0.408,99 1.527,100 35.526,101 11.282,102 34.839,103 15.044,104 15,105 44,106 0.273,107 0.586,108 0.773,109 0.833,110 0.85,111 0.85,112 3.409,113 0.99,114 -3.41,115 -3.39,116 -3.24,119 38.2,124 2,125 7,142 5,143 1,144 1,146 1,147 1,149 1,152 2,172 4,174 2,175 3,180 2,183 5,186 2,187 9,192 2,195 2,198 1,199 5,204 1,207 1,211 2,212 4,215 2,220 3,223 2,224 4,232 3,236 1,237 4,240 1,242 1,245 2,249 1,250 4,255 1,258 1,262 3,263 2,275 1368,276 19.886,277 19.886,278 19.886,279 19.886,280 19.886,281 18.096,282 22.724,283 12.095,284 20.77,285 15.845,286 15.845,287 15.845,288 15.845,289 15.845,290 13.034,291 28.837,292 5.801,293 17.211,294 4.131,295 2.239,296 1.107,297 0.746,298 0.646,299 0.646,300 4.107,304 1,305 1,306 678,307 3.317,310 63.523,311 247.986,314 116.695,318 1.679,319 24.153,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 63,331 315,332 4.638,333 3.335,334 6.753,335 4.151,336 3.224,337 4.578,338 0.916,339 11.115,340 2.987,341 4.174,342 2.963,343 6.127,344 3.764,345 2.799,346 3.804,347 0.86,348 9.028,349 2.696,350 3.858,351 2.882,352 5.861,353 3.565,354 2.647,355 3.231,356 0.86,357 8.249,358 2.423,359 3.619,360 2.669,361 5.331,362 3.3,363 2.377,364 2.985,365 0.8,366 6.803,367 2.189,368 3.453,369 2.421,370 5.049,371 3.152,372 2.214,373 2.633,374 0.172,375 6.073,376 2.07,377 3.094,378 2.284,379 4.762,380 2.812,381 1.891,382 2.188,384 5.2,385 1.729,386 3.01,387 2.134,388 4.656,389 2.622,390 1.719,391 2.109,393 4.778,394 1.538,395 2.85,396 1.913,397 4.305,398 2.363,399 1.423,400 1.987,402 3.914,403 1.334,404 2.601,405 1.548,406 3.751,407 2.198,408 1.332,409 1.647,411 2.947,412 1.144,413 2.381,414 1.473,415 3.476,416 2.122,417 1.245,418 1.37,420 2.538,421 1.089,422 2.365,423 1.256,424 3.392,425 2.056,426 1.095,427 1.359,428 2.472,429 1.035,430 2,431 1.116,432 3.364,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.93,439 0.649,440 3.247,441 1.404,442 0.535,443 0.733,445 1.564,446 0.456,447 1.275,448 0.601,449 2.789,450 1.129,451 0.234,452 0.239,454 0.378,455 0.208,456 1.04,457 0.06,458 2.652,459 0.679,460 -0.254,461 -0.299,463 -0.657,464 -0.235,465 13.933,466 0.48,467 0.623,468 0.021,469 34.75,470 1.198,471 15,472 0.517,473 19.75,474 0.681,475 27.013,476 0.931,477 32.267,478 0.587,479 25.762,480 0.888,481 6.913,482 0.238,483 7.223,484 0.249,485 0.096,487 0.309,493 0.933,494 1.48,495 0.773,496 1.115,497 0.916,498 1.021,499 1.413,500 0.876,501 0.91,502 0.707,503 0.857,504 0.752,505 0.994,506 1.291,507 1.132,508 1.177,509 0.967,510 1.071,511 0.634,512 1.046,513 0.75,514 0.861,515 0.666,516 0.859,517 0.929,518 0.932,519 1.45,520 1.14,521 0.783,522 0.906,523 0.753,524 1.264,525 1.395,526 1.468,527 0.753,528 1.276,529 0.739,530 1.131,531 0.973,532 1.105,533 0.729,534 1.095,535 0.952,536 1.102,537 1.186,538 1.2,539 0.989,540 1.154,541 5.5,542 0.136,543 2.444,544 1.882,545 1.418,546 1.15,547 0.644,548 0.46,549 0.369,550 0.176,551 10157,552 26576,553 2.111,554 47.3,556 25,559 1,564 1.726,565 2,566 3.385,567 -0.302,568 1,569 1,573 90.77,574 1.65,575 3.542,576 4.674,577 5.036,578 5.136,579 5.136,580 2.902,581 4.582,582 4.82,583 3.548,584 1440.29,585 8.438,586 19231.2,588 1,590 1,591 317.975,592 1.314,593 4.8,594 0.172,595 0.007,596 0.056,597 0.043,598 0.032,599 0.025,600 0.015,601 0.011,602 0.011,603 0.007,604 0.377,605 0.33,606 1,607 1.344,608 145.907,609 -0.047,610 -0.284,611 0.08,612 -0.071,613 -0.061,614 -0.023,615 -0.202,616 0.244,617 0.069,618 0.269,619 -0.02,620 0.184,621 -0.033,622 -0.185,623 -0.062,624 -0.107,625 -0.057,626 -0.088,627 0.041,628 -0.024,629 0.207,630 0.121,631 0.071,632 0.139,633 -0.009,634 0.196,635 -0.1,636 0.097,637 0.061,638 0.111,639 -0.034,640 -0.092,641 -0.226,642 -0.281,643 -0.097,644 -0.252,645 0.049,646 -0.099,647 -0.024,648 -0.102,649 0.037,650 -0.096,651 -0.062,652 -0.066,653 -0.165,654 -0.191,655 -0.06,656 -0.175,657 1.454,658 3.884,659 0.724,660 30.685,661 1.003,662 1.129,663 2.177,664 4.737,665 0.662,666 3.497,667 3.807,668 4.078,669 4.394,670 4.663,671 4.812,672 5.056,673 5.226,674 5.342,675 5.425,676 6.402,677 0.622,678 414.58,679 3.497,680 5.03,681 5.878,682 6.76,683 7.635,684 8.531,685 9.421,686 10.324,687 11.224,688 12.132,689 7.3,692 1,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,728 1,731 55,733 16,734 1,735 32,737 58,738 21,739 12,740 2,741 4,746 4,747 5,761 12,762 9,778 1,781 26,782 7,783 1,784 8,785 1,790 4,794 0.75,795 3,806 1,811 1,812 3,815 1,836 1,839 2,840 3,842 1,844 2,848 29,853 1,854 7,856 2,859 2,865 1,870 5.5,872 1,874 2,877 14.5,878 10.417,879 6.444,880 3.185,881 2.973,882 1.386,883 0.961,884 6.601,885 10.678,886 3.714,887 4.301,888 4.908,889 5.568,890 6.152,891 6.582,892 7.112,893 7.578,894 7.903,895 8.251,896 1,897 44,898 10.728,900 4.471,901 7.603,902 20.872,904 17.012,905 2.103,906 61,908 1,909 1,910 294.278,911 132.228,912 39.82,914 64.683,916 31.278,917 100.95,918 358.961,919 39.82,920 19.279,921 22.2,922 47.381,923 98.254,924 13.906,925 4.432,926 325.555,928 294.278,929 140.77,930 64.683,931 31.278,933 296.605,934 42.683,935 22,937 27.468,938 77.403,939 33.571,940 31.278,941 294.278,942 104.503,943 132.228,946 294.278,947 65.567,948 72.909,950 98.254,951 294.278,952 104.503,953 132.228,955 0.569,956 0.323,957 0.183,958 0.106,959 21,960 9,961 0.121,962 7,963 1,964 1.095,965 4.032,966 260.432,967 0.095,968 21,969 136.881,970 1,974 20.479,975 9.348,976 4.861,977 2.047,978 104.503,979 9.257,980 9.722,983 1.747,984 3.853,986 42.683,987 531.008,988 40,999 55.185,1000 62.109,1001 0.285,1002 0.613,1003 0.808,1004 0.871,1005 0.888,1006 0.888,1007 4.949,1008 1.423,1009 5.849,1010 4.778,1011 4.489,1012 4.987,1013 1.86,1014 6.653,1015 4.335,1016 6.133,1017 1.332,1018 7.393,1019 3.914,1020 4.007,1021 4.796,1022 0.57,1023 7.506,1024 3.786,1025 7.432,1026 1.245,1027 9.038,1028 2.947,1029 6.061,1030 7.198,1031 1.527,1032 10.647,1033 5.777,1034 8.769,1035 1.095,1036 10.745,1037 2.538,1038 6.415,1039 7.89,1040 0.581,1041 12.369,1042 6.055,1043 10.144,1044 1,1045 12.492,1046 2.472,1047 7.925,1048 9.766,1049 1.279,1050 15.016,1051 7.511,1052 11.546,1053 0.535,1054 14.268,1055 2.136,1056 8.684,1057 10.884,1058 0.515,1059 17.114,1060 8.19,1061 12.97,1062 0.234,1063 16.066,1064 1.564,1065 9.967,1066 12.542,1067 1.07,1068 19.591,1069 9.417,1070 3.224,1071 -0.254,1072 17.882,1073 0.378,1074 10.928,1075 13.868,1076 0.441,1077 21.856,1078 10.295,1079 2.799,1080 11.115,1081 19.711,1082 -0.657,1083 12.119,1084 15.436,1085 0.89,1086 24.275,1087 11.425,1088 2.647,1089 9.028,1090 21.551,1091 4.578,1092 13.178,1093 16.861,1094 0.373,1095 26.614,1096 12.403,1097 2.377,1098 8.249,1099 23.4,1100 3.804,1101 14.337,1102 18.393,1103 0.735,1104 29.016,1105 13.494,1106 2.214,1107 6.803,1108 25.257,1109 3.231,1110 15.444,1111 19.866,1112 0.314,1113 31.389,1114 14.521,1115 1.891,1116 6.073,1117 27.12,1118 2.985,1119 16.595,1120 21.386,1121 0.603,1122 33.788,1123 15.599,1124 1.719,1125 5.2,1126 28.989,1127 2.633,1128 17.727,1129 22.881,1130 0.264,1131 36.177,1132 16.652,1133 9825,1134 16022,1135 21.671,1136 36.409,1137 47.496,1138 48.03,1139 48.724,1140 47.452,1141 47.471,1142 59.725,1143 7.218,1144 134.388,1145 43.687,1146 5.638,1147 5.335,1148 6.618,1149 5.288,1150 5.224,1151 7.578,1152 1.776,1153 18.36,1154 4.987,1155 12.545,1156 1.484,1157 1.501,1158 1.523,1159 1.483,1160 1.483,1161 1.866,1162 0.226,1163 4.2,1164 1.365,1165 4.099,1166 4.122,1167 4.337,1168 4.069,1169 6.471,1170 4.029,1171 3.863,1172 3.884,1173 3.857,1174 3.817,1175 5.04,1176 3.803,1177 3.741,1178 3.799,1179 3.65,1180 3.532,1181 4.64,1182 3.544,1183 3.662,1184 3.723,1185 3.537,1186 3.439,1187 4.615,1188 3.45,1189 3.373,1190 3.432,1191 3.34,1192 3.163,1193 4.581,1194 3.171,1195 3.209,1196 3.269,1197 3.123,1198 2.991,1199 4.315,1200 2.991,1201 3.111,1202 3.206,1203 2.911,1204 2.941,1205 4.099,1206 2.91,1207 2.972,1208 3.085,1209 2.866,1210 2.788,1211 3.949,1212 2.79,1213 0.145,1214 0.104,1215 0.211,1216 0.13,1217 0.101,1218 4.638,1219 0.143,1220 3.335,1221 0.029,1222 6.753,1223 0.347,1224 4.151,1225 0.093,1226 3.224,1227 4.578,1228 0.916,1229 11.115,1230 2.987,1231 1.937,1232 1.912,1233 2.014,1234 2.061,1235 1.219,1236 2.047,1237 1.773,1238 1.74,1239 1.924,1240 1.943,1241 1.152,1242 1.942,1243 1.689,1244 1.636,1245 1.891,1246 1.906,1247 1.081,1248 1.91,1249 1.584,1250 1.539,1251 1.72,1252 1.767,1253 0.884,1254 1.757,1255 1.422,1256 1.391,1257 1.631,1258 1.631,1259 0.849,1260 1.645,1261 1.205,1262 1.124,1263 1.513,1264 1.419,1265 0.825,1266 1.468,1267 1.153,1268 1.064,1269 1.467,1270 1.376,1271 0.605,1272 1.429,1273 1.012,1274 0.944,1275 1.443,1276 1.291,1277 0.54,1278 1.353,1279 4.174,1281 5.485,1282 2.398,1283 6.989,1284 4.727,1285 8.588,1286 6.843,1287 10.243,1289 3.816,1294 9.884,1295 5.451,1297 10.708,1300 4.515,1305 34.212,1306 90.77,1307 194.807,1308 257.081,1309 276.955,1310 282.465,1311 282.465,1312 42.729,1313 7.704,1314 70.95,1315 99.19,1316 23,1317 12.651,1318 4.087,1319 3.17,1320 44.389,1321 110,1322 142,1323 0.2,1324 212.441,1325 360.12,1326 510.116,1327 21378,1329 20.217,1330 0.697,1331 0.607,1332 20.571,1333 17.614,1334 14.135,1335 0.442,1336 0.33,1337 9.613,1338 12.978,1339 9.276,1340 7.648,1341 14.544,1342 10.555,1343 12.57,1344 0.286,1345 0.189,1346 13.212,1347 8.315,1348 10.263,1349 0.177,1350 0.104,1351 11.05,1352 6.028,1353 8.912,1354 0.111,1355 0.057,1356 9.874,1357 4.591,1358 7.412,1359 0.071,1360 0.031,1361 8.278,1362 3.216,1363 0.308,1364 93.767,1365 0.215,1366 27.277,1367 0.57,1368 152,1369 449.062,1370 193.201,1371 444.452,1372 606.59,1373 420,1374 178,1375 419.348,1376 219.133,1377 442.834,1378 651.55,1379 413,1380 8.398}
{0 CHEMBL493296,1 1.703,2 8.625,3 3.132,4 9.806,5 93.513,6 8.652,7 0.714,8 3.826,9 3.932,10 3.587,11 3.427,12 4.907,13 3.404,14 4.365,15 4.515,16 3.96,17 3.836,18 5.413,19 3.796,20 4.527,21 4.72,22 3.955,23 3.871,24 5.509,25 3.811,26 4.484,27 4.694,28 3.869,29 3.84,30 5.457,31 3.76,32 4.459,33 4.667,34 3.844,35 3.852,36 5.415,37 3.746,38 4.403,39 4.56,40 3.851,41 3.853,42 5.402,43 3.752,44 4.436,45 4.649,46 3.625,47 3.738,48 5.373,49 3.612,50 4.29,51 4.538,52 3.402,53 3.5,54 5.123,55 3.359,56 0.06,57 0.648,58 6.623,59 3.408,60 5.452,61 3.857,62 0.25,63 1.076,64 15.061,65 6.011,66 16.115,67 6.511,68 0.325,69 1.231,70 20.458,71 6.98,72 20.787,73 8.525,74 0.23,75 1.196,76 17.663,77 6.726,78 20.971,79 8.352,80 0.318,81 1.157,82 22.282,83 7.78,84 22.95,85 8.983,86 0.189,87 1.105,88 18.725,89 7.472,90 13.95,91 8.229,92 0.253,93 1.053,94 19.283,95 7.495,96 23.022,97 9.137,98 0.206,99 0.869,100 18.741,101 6.902,102 18.48,103 8.876,105 40,106 0.297,107 0.674,108 0.797,109 0.833,110 0.833,111 0.833,112 3.23,113 0.941,114 -3.71,115 -3.68,116 -3.5,119 43.6,125 4,142 4,143 2,146 2,147 1,149 1,151 2,152 1,168 1,172 4,174 2,175 5,180 1,183 5,186 1,187 9,192 2,195 2,198 1,199 6,204 2,207 1,211 3,212 4,220 3,224 2,227 2,232 3,236 2,237 4,245 2,250 3,253 1,255 1,258 1,263 1,268 1,275 736,276 16.947,277 16.947,278 16.947,279 16.947,280 16.947,281 14.768,282 10.455,283 10.023,284 17.574,285 13.885,286 13.885,287 13.885,288 13.885,289 13.885,290 10.537,291 14.862,292 4.79,293 14.889,294 3.582,295 1.423,296 0.718,297 0.513,298 0.513,299 0.513,300 3.949,303 1,304 1,305 1,306 476,307 2,310 95.567,311 163.238,314 163.964,318 1.24,319 15.656,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 207,332 4.611,333 3.306,334 6.732,335 4.132,336 3.198,337 4.54,338 0.86,339 11.016,340 3.001,341 4.427,342 2.979,343 6.272,344 3.931,345 2.956,346 4.362,347 0.8,348 9.507,349 2.859,350 3.937,351 2.747,352 5.974,353 3.537,354 2.584,355 3.465,357 8.479,358 2.468,359 3.737,360 2.528,361 5.763,362 3.41,363 2.48,364 3.044,366 7.795,367 2.296,368 3.053,369 2.233,370 4.681,371 2.705,372 1.792,373 2.328,375 4.79,376 1.631,377 3.033,378 1.562,379 4.504,380 2.515,381 1.552,382 2.299,384 4.498,385 1.503,386 3.015,387 1.547,388 4.325,389 2.473,390 1.533,391 2.099,393 4.104,394 1.423,395 2.613,396 1.533,397 3.722,398 2.104,399 1.243,400 1.667,402 2.935,403 1.06,404 2.5,405 1.256,406 3.466,407 2.032,408 1.109,409 1.5,411 2.473,412 1.018,413 2.376,414 1.118,415 3.428,416 1.952,417 1,418 1.362,420 2.309,421 0.946,422 2,423 1,424 3.331,425 1.916,426 1,427 1,428 2.136,429 0.895,430 1.97,431 0.621,432 3.247,433 1.468,434 0.561,435 0.776,436 1.507,437 0.498,438 1.864,439 0.391,440 3.028,441 1.327,442 0.384,443 0.567,445 0.963,446 0.362,447 0.974,448 -0.296,449 2.709,450 0.505,451 -0.408,452 -0.513,454 -1.111,455 -0.368,456 0.794,457 -0.36,458 2.595,459 0.37,460 -0.585,461 -0.758,463 -1.561,464 -0.556,465 11.667,466 0.486,467 0.462,468 0.019,469 33.25,470 1.385,471 16.5,472 0.688,473 16.75,474 0.698,475 17.931,476 0.747,477 24.333,478 0.624,479 21.098,480 0.879,481 6.335,482 0.264,483 5.548,484 0.231,487 0.334,493 0.843,494 1.174,495 0.666,496 0.89,497 0.757,498 0.82,499 1.357,500 0.996,501 0.916,502 0.824,503 1.059,504 0.802,505 1.089,506 1.166,507 0.88,508 0.955,509 0.972,510 0.922,511 0.901,512 1.063,513 0.831,514 0.849,515 1.067,516 0.941,517 0.819,518 0.809,519 1.208,520 0.996,521 0.901,522 0.896,523 0.808,524 1.191,525 1.357,526 1.441,527 0.92,528 1.287,529 0.852,530 0.973,531 1.096,532 1.136,533 1.035,534 1.188,535 0.761,536 0.997,537 0.861,538 1.038,539 0.778,540 1.04,541 3.5,542 0.019,543 2.667,544 1.069,545 1.154,546 0.75,547 0.37,548 0.207,549 0.181,550 0.051,551 6684,552 17679,553 2.289,554 38.5,556 12,557 2,559 1,564 1.674,565 2.25,566 3.12,567 -0.26,568 1,569 1,571 1,573 66.431,574 1.703,575 3.862,576 4.567,577 4.773,578 4.773,579 4.773,580 2.507,581 4.054,582 4.559,583 3.234,584 892.622,585 7.89,586 10099.1,587 1,588 1,589 1,590 1,591 206.131,592 0.918,593 4.557,594 0.125,595 0.003,596 0.067,597 0.028,598 0.033,599 0.022,600 0.011,601 0.008,602 0.009,603 0.004,604 0.31,605 0.5,606 0.88,608 111.639,609 0.011,610 -0.095,611 0.077,612 -0.005,613 0.022,614 0.014,615 -0.179,616 0.063,617 -0.029,618 0.104,619 -0.063,620 0.063,621 -0.052,622 -0.168,623 0.032,624 -0.029,625 0.018,626 0.01,627 -0.094,628 -0.041,629 0.019,630 0.031,631 -0.099,632 -0.011,633 0.02,634 0.225,635 -0.071,636 0.089,637 0.047,638 0.095,639 -0.004,640 -0.158,641 -0.277,642 -0.354,643 -0.085,644 -0.336,645 0.035,646 -0.036,647 -0.134,648 -0.153,649 -0.081,650 -0.188,651 0.119,652 -0.147,653 0.147,654 -0.028,655 0.121,656 0.041,657 0.924,658 1.976,659 1,660 16.861,661 1.008,662 1.12,663 2.482,664 6.159,665 0.716,666 3.367,667 3.714,668 4.06,669 4.382,670 4.615,671 4.762,672 4.97,673 5.13,674 5.198,675 5.328,676 5.267,677 0.683,678 337.44,679 3.367,680 4.92,681 5.802,682 6.698,683 7.595,684 8.498,685 9.401,686 10.306,687 11.212,688 12.119,689 12.8,695 1,697 1,699 3,703 4,704 6,705 3,706 1,708 1,709 3,711 20,726 1,731 39,733 20,734 1,735 28,737 43,738 17,739 13,740 3,741 3,746 5,747 7,761 13,762 4,777 1,778 1,781 15,782 5,783 1,784 7,785 1,790 5,794 0.6,795 1,803 1,806 1,811 2,812 3,815 2,839 1,840 3,842 1,848 24,854 4,856 1,859 1,865 1,870 2.6,874 1,877 10.667,878 7.133,879 5.139,880 2.369,881 3.991,882 1.515,883 1.077,884 3.457,885 11.736,886 3.664,887 4.337,888 5.04,889 5.717,890 6.258,891 6.73,892 7.261,893 7.76,894 8.08,895 8.584,896 0.833,897 38,898 8.851,900 3.858,901 7.521,902 17.275,904 14.738,905 2.021,906 48.5,910 164.795,911 114.724,912 70.021,914 11,916 31.278,917 83.446,918 175.795,919 70.021,921 13.396,922 54.601,923 61.234,924 32.162,925 26.616,926 172.531,928 164.795,929 153.467,930 11,931 31.278,933 167.123,935 11,937 34.347,938 66.558,939 50.234,940 31.278,941 164.795,942 81.021,943 114.724,946 164.795,947 60.122,948 57.726,949 16.663,950 61.234,951 164.795,952 81.021,953 114.724,955 0.582,956 0.352,957 0.202,958 0.106,959 23,960 8,961 0.047,962 2,963 2,964 1.167,965 3.708,966 214.551,967 0.167,968 24,969 106.039,970 1,974 14.316,975 5.796,976 2.501,977 4.147,978 64.358,979 12.147,980 13.909,981 2.894,983 1.691,984 2.736,986 16.663,987 360.54,988 38,999 39.331,1000 43.697,1001 0.322,1002 0.731,1003 0.864,1004 0.903,1005 0.903,1006 0.903,1007 4.898,1008 1.243,1009 5.778,1010 4.104,1011 4.394,1012 5.024,1013 1.235,1014 6.616,1015 4.268,1016 6.113,1017 1.109,1018 7.343,1019 2.935,1020 3.892,1021 4.856,1022 0.325,1023 7.535,1024 3.74,1025 7.433,1026 1,1027 9.011,1028 2.473,1029 6.004,1030 7.343,1031 0.938,1032 10.678,1033 5.776,1034 8.796,1035 1,1036 10.742,1037 2.309,1038 6.399,1039 8.101,1040 0.268,1041 12.452,1042 6.135,1043 10.197,1044 0.561,1045 12.513,1046 2.136,1047 7.915,1048 9.991,1049 0.732,1050 15.08,1051 7.59,1052 11.624,1053 0.384,1054 14.311,1055 1.507,1056 8.712,1057 11.158,1058 0.188,1059 17.19,1060 8.34,1061 13.07,1062 -0.408,1063 16.127,1064 0.963,1065 9.993,1066 12.815,1067 0.57,1068 19.647,1069 9.565,1070 3.198,1071 -0.585,1072 17.957,1073 -1.111,1074 10.974,1075 14.164,1076 0.125,1077 21.902,1078 10.492,1079 2.956,1080 11.016,1081 19.797,1082 -1.561,1083 12.161,1084 15.726,1085 0.438,1086 24.302,1087 11.625,1088 2.584,1089 9.507,1090 21.644,1091 4.54,1092 13.226,1093 17.157,1094 0.082,1095 26.623,1096 12.632,1097 2.48,1098 8.479,1099 23.497,1100 4.362,1101 14.379,1102 18.68,1103 0.334,1104 29.007,1105 13.729,1106 1.792,1107 7.795,1108 25.355,1109 3.465,1110 15.483,1111 20.148,1112 0.054,1113 31.361,1114 14.774,1115 1.552,1116 4.79,1117 27.218,1118 3.044,1119 16.626,1120 21.656,1121 0.252,1122 33.743,1123 15.859,1124 1.533,1125 4.498,1126 29.085,1127 2.328,1128 17.75,1129 23.141,1130 0.035,1131 36.114,1132 16.922,1133 6019,1134 9924,1135 19.879,1136 27.938,1137 42.988,1138 42.932,1139 42.66,1140 42.768,1141 42.781,1142 58.017,1143 3.32,1144 125.021,1145 39.918,1146 5.611,1147 5.306,1148 6.534,1149 5.237,1150 5.198,1151 7.54,1152 1.72,1153 18.226,1154 5.001,1156 1.535,1157 1.533,1158 1.524,1159 1.527,1160 1.528,1161 2.072,1162 0.119,1163 4.465,1164 1.426,1165 4.131,1166 4.166,1167 4.319,1168 4.066,1169 5.127,1170 4.049,1171 4.001,1172 4.032,1173 4.044,1174 3.946,1175 4.996,1176 3.923,1177 3.722,1178 3.772,1179 3.65,1180 3.519,1181 4.613,1182 3.527,1183 3.449,1184 3.502,1185 3.481,1186 3.306,1187 4.416,1188 3.314,1189 3.137,1190 3.206,1191 3.118,1192 2.941,1193 4.203,1194 2.954,1195 3.111,1196 3.199,1197 2.901,1198 2.94,1199 3.948,1200 2.91,1201 2.927,1202 2.985,1203 2.866,1204 2.784,1205 3.728,1206 2.782,1207 2.799,1208 2.865,1209 2.771,1210 2.627,1211 3.52,1212 2.605,1213 0.165,1214 0.118,1215 0.24,1216 0.148,1217 0.114,1218 4.611,1219 0.162,1220 3.306,1221 0.031,1222 6.732,1223 0.393,1224 4.132,1225 0.107,1226 3.198,1227 4.54,1228 0.86,1229 11.016,1230 3.001,1231 1.965,1232 1.942,1233 2.029,1234 2.068,1235 1.221,1236 2.056,1237 1.792,1238 1.76,1239 1.927,1240 1.953,1241 1.15,1242 1.952,1243 1.601,1244 1.554,1245 1.727,1246 1.78,1247 0.872,1248 1.77,1249 1.382,1250 1.374,1251 1.52,1252 1.693,1253 0.825,1254 1.645,1255 1.353,1256 1.275,1257 1.513,1258 1.433,1259 0.621,1260 1.492,1261 1.153,1262 1.064,1263 1.384,1264 1.376,1265 0.495,1266 1.429,1267 0.997,1268 0.962,1269 1.125,1270 1.126,1271 0.226,1272 1.123,1273 0.79,1274 0.725,1275 1.057,1276 1.04,1277 0.2,1278 1.057,1279 4.043,1281 5.38,1282 3.045,1283 6.919,1284 5.283,1285 8.55,1286 7.286,1287 10.233,1295 3.209,1297 5.476,1300 2.292,1305 26.643,1306 66.431,1307 150.621,1308 178.131,1309 186.131,1310 186.131,1311 186.131,1312 24.436,1313 7.745,1314 66.93,1315 95.17,1316 28,1317 12.636,1318 4.392,1319 3.459,1320 30.167,1321 76,1322 69,1323 0.197,1324 162.553,1325 258.44,1326 388.389,1327 24052,1329 15.933,1330 0.664,1331 0.571,1332 16.286,1333 13.714,1334 11.882,1335 0.424,1336 0.314,1337 7.85,1338 10.912,1339 7.655,1340 6.242,1341 12.336,1342 8.782,1343 10.672,1344 0.267,1345 0.167,1346 11.229,1347 6.68,1348 9.7,1349 0.17,1350 0.091,1351 10.389,1352 5.19,1353 8.588,1354 0.109,1355 0.049,1356 9.372,1357 3.887,1358 6.865,1359 0.069,1360 0.025,1361 7.462,1362 2.531,1363 0.299,1364 79.18,1365 0.224,1366 22.958,1367 0.571,1368 136,1369 381.509,1370 170.902,1371 389.234,1372 550.43,1373 370,1374 165,1375 405.657,1376 200.053,1377 422.773,1378 628.63,1379 400,1380 5.611}
{0 CHEMBL494089,1 1.633,2 10.226,3 1.839,4 3.383,5 117.484,6 7.337,7 0.441,8 4.177,9 4.306,10 3.724,11 3.613,12 5.301,13 3.615,14 4.724,15 4.917,16 4.099,17 4.009,18 5.793,19 3.997,20 4.962,21 5.18,22 4.127,23 4.137,24 6.028,25 4.082,26 5.008,27 5.256,28 4.141,29 4.13,30 5.989,31 4.073,32 4.865,33 5.063,34 4.153,35 4.107,36 5.923,37 4.086,38 4.962,39 5.152,40 4.205,41 4.179,42 6.093,43 4.151,44 5.06,45 5.28,46 4.191,47 4.198,48 6.178,49 4.144,50 5.003,51 5.247,52 3.964,53 4.127,54 5.95,55 4.031,56 0.189,57 0.894,58 12.784,59 4.687,60 19.748,61 6.664,62 0.323,63 1.386,64 24.179,65 7.835,66 34.585,67 11.55,68 0.662,69 1.584,70 32.423,71 10.069,72 65.938,73 14.886,74 0.765,75 1.589,76 35.185,77 10.417,78 55.895,79 15.813,80 0.445,81 1.531,82 28.462,83 8.521,84 37.944,85 12.822,86 0.584,87 1.685,88 31.229,89 8.874,90 54.292,91 13.487,92 0.88,93 1.752,94 35.761,95 9.718,96 75.414,97 15.157,98 0.601,99 1.588,100 34.2,101 10.099,102 55.822,103 15.703,104 32,105 49,106 0.266,107 0.622,108 0.791,109 0.852,110 0.852,111 0.852,112 3.473,113 0.921,114 -3.08,115 -3.08,116 -2.96,119 36.2,120 3,121 2,122 1,125 4,130 1,141 2,144 1,145 1,146 3,147 1,152 1,161 1,163 1,164 1,165 1,166 2,172 3,174 2,175 3,177 1,178 1,180 5,183 4,186 5,187 3,189 2,190 2,192 2,195 2,198 6,199 4,201 2,202 3,212 8,215 1,223 2,224 10,227 1,229 1,232 1,234 1,236 4,237 8,239 2,240 5,242 1,245 3,247 1,250 6,253 2,255 1,258 3,260 1,263 5,266 1,268 4,271 5,273 1,275 1787,276 20.731,277 20.731,278 20.731,279 20.731,280 20.731,281 18.794,282 25.311,283 12.073,284 21.286,285 16.736,286 16.736,287 16.736,288 16.736,289 16.736,290 13.57,291 27.057,292 5.647,293 17.635,294 4.225,295 2.041,296 1.001,297 0.625,298 0.625,299 0.625,300 4.164,304 1,305 1,306 676,307 3.937,310 141.873,311 187.538,314 126.052,318 1.652,319 32.754,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68.5,331 317,332 4.798,333 3.811,334 7.083,335 4.315,336 3.37,337 4.775,338 1.128,339 12.281,340 3.185,341 4.364,342 3.464,343 6.46,344 4.058,345 3.102,346 3.942,347 0.86,348 9.999,349 2.955,350 4.241,351 3.006,352 6.393,353 3.848,354 2.891,355 3.524,356 0.4,357 9.889,358 2.763,359 3.796,360 2.831,361 5.85,362 3.508,363 2.535,364 3.119,366 7.957,367 2.469,368 3.642,369 2.616,370 5.514,371 3.348,372 2.4,373 3.014,375 7.081,376 2.27,377 3.473,378 2.424,379 5.323,380 3.15,381 2.221,382 2.501,384 6.73,385 2.054,386 3.18,387 1.8,388 4.729,389 2.522,390 1.582,391 2.184,393 4.632,394 1.483,395 2.925,396 1.667,397 4.506,398 2.44,399 1.492,400 1.878,402 4.115,403 1.414,404 2.667,405 1.607,406 3.844,407 2.384,408 1.445,409 1.587,411 3.15,412 1.352,413 2.561,414 1.211,415 3.638,416 2.103,417 1.134,418 1.524,420 2.619,421 1.097,422 2.498,423 1.181,424 3.43,425 1.956,426 1,427 1.369,428 2.136,429 0.954,430 2.236,431 1.129,432 3.384,433 1.819,434 0.875,435 1.081,436 2.125,437 0.822,438 2,439 0.977,440 3.247,441 1.698,442 0.783,443 1,445 1.964,446 0.712,447 1.813,448 0.73,449 3.211,450 1.53,451 0.591,452 0.711,454 1.335,455 0.552,456 1.537,457 0.431,458 2.957,459 1.228,460 0.278,461 0.336,463 0.483,464 0.263,465 14.3,466 0.461,467 0.888,468 0.029,469 36.25,470 1.169,471 15,472 0.484,473 21.25,474 0.685,475 31.557,476 1.018,477 34.9,478 0.602,479 28.911,480 0.933,481 6.695,482 0.216,483 8.176,484 0.264,485 0.156,486 0.035,487 0.308,493 0.839,494 1.432,495 0.814,496 1.172,497 0.971,498 1.013,499 0.904,500 1.199,501 0.755,502 1.029,503 0.624,504 0.883,505 0.947,506 1.035,507 0.929,508 1.028,509 1.036,510 0.994,511 0.795,512 0.84,513 0.761,514 0.834,515 0.583,516 0.804,517 1.139,518 1.2,519 0.918,520 1.016,521 0.828,522 0.931,523 1.25,524 1.27,525 1.127,526 1.136,527 1.017,528 1.104,529 0.986,530 1.047,531 1.122,532 1.071,533 1.016,534 1.103,535 0.892,536 1.073,537 1.091,538 1.124,539 0.769,540 1.13,541 6.5,542 0.203,543 3.556,544 2.104,545 2.016,546 1.49,547 0.848,548 0.794,549 0.454,550 0.316,551 11698,552 30519,553 2.057,554 46.6,555 2,556 8,558 1,559 4,561 11,562 1,564 1.746,565 1.908,566 3.3,567 1.664,569 1,573 94.736,574 1.633,575 3.817,576 4.857,577 5.233,578 5.233,579 5.233,580 2.777,581 4.518,582 4.918,583 3.515,584 1634.28,585 8.647,586 22872.1,588 1,590 1,591 339.763,592 1.595,593 4.87,594 0.191,595 0.007,596 0.073,597 0.044,598 0.041,599 0.029,600 0.016,601 0.016,602 0.012,603 0.009,604 0.438,605 0.17,606 1,607 1.159,608 158.544,609 0.056,610 -0.13,611 0.055,612 -0.023,613 -0.074,614 0.009,615 0.004,616 -0.055,617 0.172,618 0.033,619 0.191,620 0.121,621 0.065,622 0.007,623 0.034,624 -0.003,625 0.035,626 -0.002,627 0.18,628 0.14,629 0.225,630 0.156,631 0.117,632 0.187,633 -0.122,634 -0.085,635 0.029,636 0.02,637 -0.024,638 0.054,639 -0.16,640 -0.122,641 -0.176,642 -0.128,643 -0.07,644 -0.149,645 0.063,646 0.048,647 -0.151,648 -0.11,649 -0.024,650 -0.16,651 -0.042,652 -0.051,653 -0.136,654 -0.123,656 -0.136,657 2.409,658 4.022,659 0.645,660 33.205,661 1.009,662 1.143,663 1.85,664 3.424,665 0.638,666 3.555,667 3.912,668 4.174,669 4.489,670 4.736,671 4.913,672 5.1,673 5.288,674 5.38,675 5.398,676 6.431,677 0.613,678 425.55,679 3.555,680 5.118,681 5.974,682 6.878,683 7.763,684 8.677,685 9.577,686 10.498,687 11.409,688 12.334,689 12.1,691 1,693 1,697 1,699 4,703 2,704 1,705 4,707 1,709 5,710 1,711 15,722 1,729 1,731 58,733 16,735 34,737 61,738 21,739 8,746 4,747 5,752 3,755 2,756 1,758 2,760 2,761 8,762 11,763 2,778 1,781 27,782 9,783 4,784 10,787 1,790 7,794 0.75,795 3,798 1,805 1,811 2,812 2,815 1,819 2,835 1,838 1,840 3,844 3,848 31,849 1,853 1,854 6,855 1,856 1,858 1,860 1,861 1,868 2,870 5.2,871 1,875 2,877 16.25,878 11.283,879 6.736,880 3.675,881 3.184,882 1.408,883 0.93,884 6.263,885 10.987,886 3.795,887 4.413,888 5.069,889 5.726,890 6.276,891 6.815,892 7.342,893 7.822,894 8.162,895 8.432,896 0.857,897 48,898 11.447,900 4.883,901 7.75,902 21.801,904 17.87,905 2.25,906 69.75,910 270.735,911 105.264,912 125.571,914 63.644,917 105.264,918 334.379,919 125.571,920 26.476,921 15.979,922 93.591,923 86.863,924 44.808,925 38.533,926 258.964,928 270.735,929 230.835,930 63.644,933 129.482,934 162.214,935 42.683,937 81.397,938 42.613,939 106.825,941 270.735,942 189.215,943 105.264,946 270.735,947 35.68,948 37.422,949 52.072,950 169.306,951 270.735,952 189.215,953 105.264,955 0.586,956 0.328,957 0.182,958 0.103,959 24,960 11,961 0.082,962 5,963 1,964 1.1,965 4.078,966 290.216,967 0.1,968 20,969 151.58,974 21.728,975 8.935,976 4.73,977 1.3,978 187.316,979 1.662,980 16.786,982 4.782,984 2.053,985 1.941,986 93.591,987 565.215,988 43.5,999 58.531,1000 66.268,1001 0.279,1002 0.652,1003 0.829,1004 0.893,1005 0.893,1006 0.893,1007 5.074,1008 1.492,1009 5.999,1010 4.632,1011 4.595,1012 5.1,1013 1.676,1014 6.868,1015 4.491,1016 6.315,1017 1.445,1018 7.595,1019 4.115,1020 4.369,1021 5.027,1023 8.034,1024 4.218,1025 7.657,1026 1.134,1027 9.3,1028 3.15,1029 6.282,1030 7.382,1031 1.684,1032 11.079,1033 6.08,1034 9.04,1035 1,1036 11.068,1037 2.619,1038 6.868,1039 8.191,1041 13.036,1042 6.613,1043 10.457,1044 0.875,1045 12.876,1046 2.136,1047 8.291,1048 10.027,1049 1.782,1050 15.672,1051 7.987,1052 11.9,1053 0.783,1054 14.71,1055 2.125,1056 9.213,1057 11.239,1059 17.931,1060 8.853,1061 13.361,1062 0.591,1063 16.563,1064 1.964,1065 10.467,1066 12.882,1067 1.924,1068 20.451,1069 10.057,1070 3.37,1071 0.278,1072 18.43,1073 1.335,1074 11.534,1075 14.281,1077 22.837,1078 11.067,1079 3.102,1080 12.281,1081 20.309,1082 0.483,1083 12.732,1084 15.857,1085 2.095,1086 25.327,1087 12.212,1088 2.891,1089 9.999,1090 22.196,1091 4.775,1092 13.863,1093 17.342,1095 27.77,1096 13.285,1097 2.535,1098 9.889,1099 24.092,1100 3.942,1101 15.046,1102 18.898,1103 2.286,1104 30.256,1105 14.414,1106 2.4,1107 7.957,1108 25.993,1109 3.524,1110 16.207,1111 20.421,1113 32.728,1114 15.517,1115 2.221,1116 7.081,1117 27.901,1118 3.119,1119 17.389,1120 21.974,1121 2.49,1122 35.217,1123 16.643,1124 1.582,1125 6.73,1126 29.813,1127 3.014,1128 18.566,1129 23.515,1131 37.703,1132 17.762,1133 11343,1134 18582,1135 22.364,1136 37.017,1137 53.082,1138 52.007,1139 52.67,1140 51.404,1141 51.398,1142 65.09,1143 4.776,1144 152.991,1145 48.685,1146 5.798,1147 5.811,1148 6.885,1149 5.397,1150 5.37,1151 7.775,1152 2.256,1153 19.91,1154 5.139,1155 16.436,1156 1.561,1157 1.53,1158 1.549,1159 1.512,1160 1.512,1161 1.914,1162 0.14,1163 4.5,1164 1.432,1165 4.147,1166 4.185,1167 4.134,1168 3.996,1169 6.453,1170 4.026,1171 3.852,1172 3.916,1173 3.77,1174 3.704,1175 5.437,1176 3.698,1177 3.778,1178 3.815,1179 3.71,1180 3.599,1181 5.091,1182 3.616,1183 3.687,1184 3.728,1185 3.603,1186 3.485,1187 4.85,1188 3.523,1189 3.478,1190 3.554,1191 3.347,1192 3.273,1193 4.626,1194 3.273,1195 3.316,1196 3.378,1197 3.175,1198 3.118,1199 4.557,1200 3.117,1201 3.126,1202 3.209,1203 2.986,1204 2.945,1205 4.362,1206 2.933,1207 3.058,1208 3.154,1209 2.921,1210 2.89,1211 4.195,1212 2.913,1213 0.141,1214 0.112,1215 0.208,1216 0.127,1217 0.099,1218 4.798,1219 0.14,1220 3.811,1221 0.033,1222 7.083,1223 0.361,1224 4.315,1225 0.094,1226 3.37,1227 4.775,1228 1.128,1229 12.281,1230 3.185,1231 1.902,1232 1.876,1233 2.058,1234 2.053,1235 1.422,1236 2.049,1237 1.824,1238 1.767,1239 1.955,1240 1.991,1241 1.146,1242 1.991,1243 1.687,1244 1.642,1245 1.883,1246 1.872,1247 1.001,1248 1.871,1249 1.598,1250 1.55,1251 1.774,1252 1.793,1253 0.927,1254 1.789,1255 1.385,1256 1.313,1257 1.588,1258 1.624,1259 0.871,1260 1.618,1261 1.289,1262 1.223,1263 1.551,1264 1.527,1265 0.599,1266 1.54,1267 1.093,1268 1.035,1269 1.417,1270 1.477,1271 0.592,1272 1.392,1273 1.021,1274 0.918,1275 1.384,1276 1.328,1277 0.469,1278 1.357,1279 4.234,1281 5.58,1282 3.045,1283 7.107,1284 5.416,1285 8.722,1286 7.545,1287 10.389,1289 5.223,1293 5.931,1294 10.022,1295 5.417,1296 3.405,1297 6.211,1299 0.436,1301 -1.159,1304 5.742,1305 35.562,1306 94.736,1307 221.391,1308 281.724,1309 303.498,1310 303.498,1311 303.498,1312 59.71,1313 7.803,1314 137.14,1315 137.14,1316 22,1317 12.842,1318 4.087,1319 3.392,1320 48.939,1321 113,1322 135,1323 0.205,1324 218.766,1325 371.97,1326 525.548,1327 24280,1329 22.01,1330 0.71,1331 0.58,1332 22.01,1333 17.974,1334 14.87,1335 0.437,1336 0.307,1337 10.248,1338 14.082,1339 9.958,1340 8.295,1341 14.87,1342 10.438,1343 14.063,1344 0.287,1345 0.167,1346 14.063,1347 8.178,1348 11.026,1349 0.172,1350 0.08,1351 11.026,1352 5.138,1353 9.406,1354 0.107,1355 0.041,1356 9.406,1357 3.636,1358 7.65,1359 0.068,1360 0.022,1361 7.65,1362 2.502,1363 0.313,1364 94.727,1365 0.211,1366 28.671,1367 0.594,1368 166,1369 505.491,1370 187.734,1371 484.063,1372 670.27,1373 452,1374 196,1375 521.033,1376 219.956,1377 517.907,1378 756.84,1379 485,1380 5}
{0 CHEMBL494921,1 1.703,2 7.958,3 2.994,4 8.966,5 93.763,6 8.652,7 0.714,8 3.826,9 3.932,10 3.587,11 3.427,12 4.909,13 3.404,14 4.365,15 4.515,16 3.96,17 3.836,18 5.406,19 3.796,20 4.528,21 4.718,22 3.972,23 3.884,24 5.5,25 3.828,26 4.507,27 4.711,28 3.935,29 3.875,30 5.504,31 3.806,32 4.504,33 4.711,34 3.903,35 3.885,36 5.508,37 3.789,38 4.436,39 4.597,40 3.863,41 3.893,42 5.395,43 3.792,44 4.46,45 4.66,46 3.746,47 3.809,48 5.403,49 3.685,50 4.373,51 4.607,52 3.489,53 3.605,54 5.207,55 3.443,56 0.06,57 0.648,58 6.623,59 3.408,60 5.73,61 3.857,62 0.25,63 1.076,64 15.061,65 6.011,66 16.149,67 6.511,68 0.324,69 1.235,70 20.358,71 6.966,72 18.833,73 8.493,74 0.208,75 1.231,76 17.768,77 6.92,78 20.131,79 8.638,80 0.384,81 1.238,82 22.676,83 7.718,84 28.192,85 8.813,86 0.178,87 1.127,88 19.509,89 7.657,90 13.785,91 8.447,92 0.239,93 1.093,94 18.319,95 7.711,96 19.503,97 9.453,98 0.214,99 0.969,100 20.952,101 7.503,102 18.741,103 9.307,105 40,106 0.297,107 0.683,108 0.797,109 0.833,110 0.833,111 0.833,112 3.231,113 0.941,114 -3.71,115 -3.68,116 -3.5,119 43.6,125 4,142 4,143 2,145 1,146 1,147 1,149 1,151 1,152 2,168 1,172 4,174 2,175 4,180 2,183 5,186 1,187 9,192 2,195 2,198 1,199 7,204 1,207 1,211 3,212 4,215 2,220 3,224 2,232 3,236 2,237 4,240 1,242 1,245 2,250 3,255 1,258 1,263 1,275 718,276 16.999,277 16.999,278 16.999,279 16.999,280 16.999,281 14.8,282 10.455,283 10.087,284 17.626,285 13.885,286 13.885,287 13.885,288 13.885,289 13.885,290 10.528,291 14.862,292 4.793,293 14.888,294 3.582,295 1.372,296 0.718,297 0.513,298 0.513,299 0.513,300 3.95,303 1,304 1,305 1,306 438,307 2,310 88.115,311 161.378,314 158.084,318 1.135,319 15.702,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 191,332 4.65,333 3.317,334 6.78,335 4.183,336 3.232,337 4.591,338 0.86,339 11.184,340 3.103,341 4.486,342 3.09,343 6.624,344 3.998,345 3.04,346 4.418,347 0.8,348 10.59,349 2.875,350 3.794,351 2.726,352 5.795,353 3.447,354 2.522,355 3.302,357 7.922,358 2.334,359 3.737,360 2.379,361 5.716,362 3.324,363 2.376,364 3.04,366 7.614,367 2.246,368 3.055,369 2.233,370 4.693,371 2.704,372 1.791,373 2.332,375 4.791,376 1.63,377 3.038,378 1.561,379 4.634,380 2.537,381 1.554,382 2.306,384 4.609,385 1.529,386 3.015,387 1.551,388 4.058,389 2.468,390 1.537,391 2.099,393 3.585,394 1.42,395 2.572,396 1.537,397 3.724,398 2.102,399 1.241,400 1.606,402 2.94,403 1.058,404 2.5,405 1.256,406 3.463,407 1.97,408 1.069,409 1.5,411 2.425,412 0.968,413 2.383,414 1.075,415 3.406,416 1.952,417 1,418 1.368,420 2.231,421 0.946,422 2.026,423 1,424 3.352,425 1.948,426 1,427 1,428 2.136,429 0.917,430 2,431 0.665,432 3.247,433 1.533,434 0.614,435 0.851,436 1.649,437 0.556,438 1.871,439 0.426,440 3.108,441 1.329,442 0.408,443 0.594,445 1.06,446 0.373,447 1.013,448 -0.295,449 2.702,450 0.537,451 -0.393,452 -0.507,454 -1.059,455 -0.358,456 0.846,457 -0.36,458 2.515,459 0.436,460 -0.515,461 -0.66,463 -1.312,464 -0.491,465 11.667,466 0.486,467 0.445,468 0.019,469 33.25,470 1.385,471 16.5,472 0.688,473 16.75,474 0.698,475 18.131,476 0.755,477 24.333,478 0.624,479 21.263,480 0.886,481 6.356,482 0.265,483 5.543,484 0.231,487 0.334,493 0.843,494 1.174,495 0.666,496 0.89,497 0.742,498 0.82,499 1.357,500 0.996,501 0.916,502 0.824,503 1.087,504 0.802,505 1.086,506 1.15,507 0.866,508 0.935,509 0.952,510 0.897,511 0.834,512 1.146,513 0.767,514 0.863,515 0.932,516 0.919,517 0.88,518 0.756,519 1.227,520 0.963,521 1.019,522 0.896,523 0.908,524 1.155,525 1.342,526 1.363,527 1.049,528 1.226,529 0.723,530 0.98,531 0.998,532 1.118,533 0.797,534 1.19,535 0.86,536 1.139,537 1.13,538 1.265,539 0.914,540 1.222,541 3,542 0.005,543 2.667,544 1.25,545 0.949,546 0.74,547 0.427,548 0.23,549 0.076,550 0.036,551 6396,552 16990,553 2.289,554 38.5,556 12,557 1,558 1,559 1,564 1.676,565 2.25,566 3.015,567 -0.26,568 1,569 1,571 1,573 66.431,574 1.703,575 3.913,576 4.567,577 4.773,578 4.773,579 4.773,580 2.44,581 3.939,582 4.561,583 3.135,584 865.222,585 7.905,586 9762.78,587 1,588 1,589 1,590 1,591 206.131,592 0.918,593 4.557,594 0.107,595 0.002,596 0.067,597 0.032,598 0.025,599 0.021,600 0.013,601 0.008,602 0.004,603 0.004,604 0.281,605 0.5,606 0.88,608 110.808,609 0.011,610 -0.095,611 0.077,612 -0.005,613 0.037,614 0.014,615 -0.179,616 0.063,617 -0.029,618 0.104,619 -0.095,620 0.063,621 -0.053,622 -0.148,623 0.041,624 -0.01,625 0.001,626 0.032,627 -0.044,628 -0.127,629 0.07,630 0.014,631 0.032,632 0.009,633 0.032,634 0.316,635 -0.115,636 0.084,637 0.025,638 0.057,639 -0.126,640 -0.131,641 -0.275,642 -0.28,643 -0.236,644 -0.266,645 0.122,646 -0.043,647 -0.066,648 -0.14,649 0.044,650 -0.197,651 0.004,652 -0.252,653 -0.025,654 -0.19,655 -0.04,656 -0.151,657 0.922,658 1.983,659 1,660 15.931,661 1.008,662 1.12,663 2.482,664 6.159,665 0.716,666 3.367,667 3.714,668 4.078,669 4.419,670 4.644,671 4.787,672 5.011,673 5.176,674 5.226,675 5.313,676 5.036,677 0.683,678 337.44,679 3.367,680 4.92,681 5.808,682 6.711,683 7.614,684 8.524,685 9.434,686 10.347,687 11.259,688 12.174,689 12.8,695 1,697 1,699 3,703 4,704 6,705 3,706 1,708 1,709 3,711 20,726 1,731 39,733 20,734 1,735 28,737 43,738 17,739 13,740 3,741 3,746 5,747 7,761 13,762 4,777 1,778 1,781 15,782 5,783 1,784 7,785 1,790 5,794 0.6,795 1,803 1,806 1,811 2,812 3,815 2,839 1,840 3,842 1,848 24,854 4,856 1,859 1,865 1,870 2.6,874 1,877 10.667,878 7.133,879 5.167,880 2.372,881 4.02,882 1.519,883 1.077,884 3.457,885 11.765,886 3.664,887 4.337,888 5.055,889 5.75,890 6.287,891 6.754,892 7.297,893 7.799,894 8.096,895 8.542,896 1,897 39,898 8.851,900 3.859,901 7.521,902 17.275,904 14.746,905 2.021,906 48.5,910 164.795,911 114.724,912 70.021,914 11,916 31.278,917 83.446,918 175.795,919 70.021,921 13.396,922 45.554,923 73.005,924 39.065,925 16.989,926 172.531,928 164.795,929 153.467,930 11,931 31.278,933 167.123,935 11,937 41.251,938 59.655,939 50.234,940 31.278,941 164.795,942 81.021,943 114.724,946 164.795,947 60.122,948 57.726,949 16.663,950 61.234,951 164.795,952 81.021,953 114.724,955 0.58,956 0.356,957 0.211,958 0.11,959 23,960 8,961 0.047,962 2,963 2,964 1.167,965 3.66,966 217.53,967 0.167,968 24,969 106.039,970 1,974 14.316,975 5.796,976 2.412,977 4.168,978 64.358,979 12.036,980 13.862,981 3.009,983 1.691,984 2.757,986 16.663,987 360.54,988 38,999 39.331,1000 43.697,1001 0.322,1002 0.74,1003 0.864,1004 0.903,1005 0.903,1006 0.903,1007 4.898,1008 1.241,1009 5.784,1010 3.585,1011 4.394,1012 5.024,1013 1.235,1014 6.64,1015 4.268,1016 6.113,1017 1.069,1018 7.358,1019 2.94,1020 3.892,1021 4.856,1022 0.325,1023 7.609,1024 3.74,1025 7.435,1026 1,1027 9.039,1028 2.425,1029 6.014,1030 7.352,1031 0.938,1032 10.777,1033 5.789,1034 8.803,1035 1,1036 10.787,1037 2.231,1038 6.431,1039 8.131,1040 0.268,1041 12.614,1042 6.177,1043 10.211,1044 0.614,1045 12.577,1046 2.136,1047 7.952,1048 10.024,1049 0.732,1050 15.271,1051 7.64,1052 11.647,1053 0.408,1054 14.395,1055 1.649,1056 8.779,1057 11.217,1058 0.188,1059 17.437,1060 8.433,1061 13.103,1062 -0.393,1063 16.233,1064 1.06,1065 10.067,1066 12.878,1067 0.57,1068 19.926,1069 9.672,1070 3.232,1071 -0.515,1072 18.085,1073 -1.059,1074 11.076,1075 14.252,1076 0.125,1077 22.224,1078 10.643,1079 3.04,1080 11.184,1081 19.947,1082 -1.312,1083 12.275,1084 15.821,1085 0.438,1086 24.654,1087 11.798,1088 2.522,1089 10.59,1090 21.817,1091 4.591,1092 13.365,1093 17.273,1094 0.082,1095 27.008,1096 12.848,1097 2.376,1098 7.922,1099 23.692,1100 4.418,1101 14.532,1102 18.806,1103 0.334,1104 29.417,1105 13.972,1106 1.791,1107 7.614,1108 25.572,1109 3.302,1110 15.657,1111 20.291,1112 0.054,1113 31.795,1114 15.057,1115 1.554,1116 4.791,1117 27.457,1118 3.04,1119 16.814,1120 21.81,1121 0.252,1122 34.197,1123 16.173,1124 1.537,1125 4.609,1126 29.344,1127 2.332,1128 17.955,1129 23.309,1130 0.035,1131 36.587,1132 17.275,1133 5792,1134 9572,1135 19.879,1136 27.938,1137 42.968,1138 42.92,1139 42.913,1140 42.756,1141 42.77,1142 58.009,1143 3.32,1144 125.472,1145 39.907,1146 5.65,1147 5.317,1148 6.582,1149 5.289,1150 5.232,1151 7.591,1152 1.72,1153 18.445,1154 5.103,1156 1.535,1157 1.533,1158 1.533,1159 1.527,1160 1.527,1161 2.072,1162 0.119,1163 4.481,1164 1.425,1165 4.144,1166 4.178,1167 4.32,1168 4.074,1169 5.131,1170 4.061,1171 3.993,1172 4.023,1173 4.054,1174 3.945,1175 4.982,1176 3.917,1177 3.721,1178 3.771,1179 3.646,1180 3.519,1181 4.612,1182 3.527,1183 3.385,1184 3.449,1185 3.418,1186 3.205,1187 4.418,1188 3.22,1189 3.222,1190 3.273,1191 3.194,1192 3.095,1193 4.26,1194 3.091,1195 3.111,1196 3.206,1197 2.912,1198 2.941,1199 3.97,1200 2.91,1201 2.964,1202 3.016,1203 2.866,1204 2.788,1205 3.631,1206 2.801,1207 2.72,1208 2.794,1209 2.767,1210 2.56,1211 3.517,1212 2.525,1213 0.166,1214 0.118,1215 0.242,1216 0.149,1217 0.115,1218 4.65,1219 0.164,1220 3.317,1221 0.031,1222 6.78,1223 0.399,1224 4.183,1225 0.111,1226 3.232,1227 4.591,1228 0.86,1229 11.184,1230 3.103,1231 1.975,1232 1.952,1233 2.038,1234 2.076,1235 1.224,1236 2.065,1237 1.791,1238 1.757,1239 1.928,1240 1.964,1241 1.168,1242 1.959,1243 1.599,1244 1.552,1245 1.726,1246 1.791,1247 0.867,1248 1.774,1249 1.381,1250 1.374,1251 1.513,1252 1.62,1253 0.825,1254 1.577,1255 1.307,1256 1.232,1257 1.461,1258 1.431,1259 0.621,1260 1.49,1261 1.153,1262 1.064,1263 1.375,1264 1.376,1265 0.416,1266 1.429,1267 1.021,1268 0.969,1269 1.222,1270 1.187,1271 0.296,1272 1.208,1273 0.842,1274 0.793,1275 1.054,1276 1.075,1277 0.225,1278 1.069,1279 4.043,1281 5.38,1282 3.045,1283 6.925,1284 5.283,1285 8.567,1286 7.298,1287 10.263,1295 3.2,1297 5.483,1300 2.295,1305 26.643,1306 66.431,1307 152.621,1308 178.131,1309 186.131,1310 186.131,1311 186.131,1312 24.741,1313 7.745,1314 66.93,1315 95.17,1316 28,1317 12.687,1318 4.392,1319 3.459,1320 30.077,1321 73,1322 69,1323 0.206,1324 162.553,1325 258.44,1326 388.389,1327 23930,1329 15.933,1330 0.664,1331 0.571,1332 16.286,1333 13.714,1334 11.899,1335 0.425,1336 0.314,1337 7.852,1338 10.929,1339 7.658,1340 6.246,1341 12.353,1342 8.784,1343 10.598,1344 0.265,1345 0.166,1346 11.155,1347 6.658,1348 9.689,1349 0.167,1350 0.09,1351 10.378,1352 5.222,1353 8.788,1354 0.107,1355 0.048,1356 9.572,1357 3.969,1358 7.002,1359 0.068,1360 0.025,1361 7.599,1362 2.558,1363 0.309,1364 79.281,1365 0.224,1366 22.751,1367 0.61,1368 136,1369 381.509,1370 170.902,1371 389.154,1372 550.53,1373 370,1374 166,1375 405.586,1376 201.053,1377 422.859,1378 629.92,1379 400,1380 6.991}
{0 CHEMBL496332,1 1.706,2 13.061,3 2.211,4 4.888,5 126.43,6 7.827,7 0.432,8 4.219,9 4.329,10 3.864,11 3.728,12 5.297,13 3.708,14 4.791,15 4.957,16 4.297,17 4.147,18 5.828,19 4.119,20 5.025,21 5.207,22 4.354,23 4.314,24 6.082,25 4.242,26 5.152,27 5.391,28 4.331,29 4.35,30 6.159,31 4.236,32 4.999,33 5.198,34 4.249,35 4.238,36 6.09,37 4.144,38 4.873,39 5.076,40 4.112,41 4.166,42 5.808,43 4.064,44 4.835,45 5.022,46 4.119,47 4.123,48 5.885,49 4.059,50 4.944,51 5.152,52 4.076,53 4.131,54 5.997,55 4.038,56 0.11,57 0.927,58 12.691,59 5.694,60 12.925,61 6.966,62 0.462,63 1.524,64 27.206,65 9.102,66 35.921,67 11.757,68 0.732,69 1.845,70 35.231,71 11.657,72 58.656,73 15.082,74 0.679,75 1.973,76 46.829,77 15.301,78 62.85,79 19.994,80 0.799,81 1.751,82 38.602,83 11.842,84 78.382,85 14.649,86 0.388,87 1.584,88 35.36,89 12.059,90 26.494,91 14.973,92 0.468,93 1.496,94 28.178,95 10.022,96 39.861,97 13.025,98 0.651,99 1.588,100 34.285,101 11.2,102 62.232,103 14.948,104 30,105 55,106 0.276,107 0.656,108 0.833,109 0.867,110 0.867,111 0.867,112 3.532,113 0.949,114 -2.95,115 -2.95,116 -2.85,119 38.3,120 2,121 1,124 1,125 4,127 1,130 1,142 3,143 2,144 2,145 1,146 1,151 1,152 1,158 1,162 1,166 1,172 4,174 1,175 7,178 1,180 3,183 7,186 1,187 7,190 2,192 1,195 3,198 2,199 14,202 2,207 1,211 3,212 6,215 1,217 1,220 4,223 2,224 5,229 1,232 3,236 2,237 3,242 3,245 2,249 3,250 6,253 1,255 3,258 4,263 5,266 1,268 2,271 4,275 2004,276 22.074,277 22.074,278 22.074,279 22.074,280 22.074,281 20.182,282 30.994,283 12.742,284 22.862,285 18.283,286 18.283,287 18.283,288 18.283,289 18.283,290 15.187,291 44.695,292 6.032,293 19.558,294 4.201,295 1.847,296 0.75,297 0.538,298 0.538,299 0.538,300 4.236,304 1,305 1,306 944,307 3.742,310 148.772,311 252.196,314 125.021,315 141.232,318 2.07,319 34.859,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 72.5,331 431,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.181,338 1.058,339 11.552,340 3.216,341 4.419,342 3.407,343 6.713,344 4.103,345 3.158,346 4.055,347 0.86,348 10.944,349 3.004,350 4.193,351 3.134,352 6.322,353 3.861,354 2.908,355 3.712,356 0.86,357 9.594,358 2.751,359 4.027,360 2.97,361 6.16,362 3.712,363 2.766,364 3.208,365 0.8,366 9.125,367 2.608,368 3.693,369 2.84,370 5.692,371 3.428,372 2.478,373 2.962,375 7.552,376 2.342,377 3.556,378 2.694,379 5.435,380 3.227,381 2.29,382 2.787,384 7.139,385 2.129,386 3.26,387 2.467,388 5.117,389 2.98,390 2.037,391 2.401,393 5.848,394 1.918,395 3.21,396 2.284,397 4.834,398 2.896,399 1.927,400 2.285,402 5.511,403 1.844,404 2.829,405 1.865,406 4.584,407 2.425,408 1.5,409 1.948,411 4.388,412 1.379,413 2.717,414 1.746,415 4.227,416 2.337,417 1.415,418 1.783,420 3.76,421 1.293,422 2.467,423 1.586,424 3.954,425 2.191,426 1.24,427 1.461,428 3.165,429 1.17,430 2.31,431 1.296,432 3.793,433 1.831,434 0.986,435 1.177,436 2.391,437 0.826,438 2.19,439 1.248,440 3.379,441 1.722,442 0.848,443 1.066,445 1.886,446 0.72,447 2.017,448 0.924,449 3.279,450 1.65,451 0.733,452 0.983,454 1.697,455 0.664,456 1.985,457 0.696,458 3.227,459 1.589,460 0.657,461 0.867,463 1.576,464 0.609,465 15.667,466 0.475,467 1.018,468 0.031,469 39,470 1.182,471 16.5,472 0.5,473 22.5,474 0.682,475 33.86,476 1.026,477 36.533,478 0.609,479 30.504,480 0.924,481 7.379,482 0.224,483 8.447,484 0.256,485 0.138,486 0.032,487 0.338,493 0.848,494 1.356,495 0.743,496 1.066,497 0.76,498 0.971,499 1.106,500 1.12,501 0.784,502 0.851,503 0.746,504 0.784,505 1.065,506 1.092,507 1.018,508 0.995,509 1.064,510 1.052,511 0.718,512 1.015,513 0.98,514 1.022,515 0.656,516 0.897,517 1.226,518 0.958,519 1.26,520 1.017,521 1.632,522 1.019,523 0.786,524 1.139,525 1.282,526 1.303,527 0.577,528 1.082,529 1.002,530 1.068,531 0.94,532 0.986,533 0.963,534 1.016,535 0.944,536 1.073,537 1.038,538 1.122,539 1.076,540 1.131,541 8.5,542 0.262,543 4,544 2.854,545 2.162,546 1.258,547 0.772,548 0.595,549 0.469,550 0.334,551 15631,552 42580,553 2.105,554 45,556 15,557 1,558 1,559 2,560 2,561 6,564 1.753,565 1.951,566 3.644,567 0.252,569 1,573 102.38,574 1.706,575 4.06,576 5.157,577 5.369,578 5.369,579 5.369,580 3.132,581 4.802,582 5.011,583 3.811,584 2012.12,585 8.782,586 29664.8,591 354.413,592 1.6,593 4.962,594 0.23,595 0.009,596 0.073,597 0.053,598 0.04,599 0.027,600 0.017,601 0.013,602 0.011,603 0.01,604 0.482,605 0.33,606 0.75,607 1.177,608 174.863,609 -0.038,610 -0.148,611 0.072,612 -0.028,613 -0.082,614 0.004,615 -0.083,616 -0.005,617 0.148,618 0.148,619 0.004,620 0.169,621 -0.066,622 0.005,623 -0.079,624 -0.012,625 -0.114,626 -0.102,627 0.092,628 -0.023,629 0.121,630 0.053,631 0.148,632 0.128,633 -0.145,634 0.132,635 -0.15,636 0.039,637 -0.244,638 -0.065,639 -0.026,640 -0.057,641 -0.122,642 -0.137,643 0.016,644 -0.051,645 -0.069,646 -0.004,647 -0.063,648 -0.026,649 -0.038,650 -0.051,651 0.024,652 -0.067,653 -0.101,654 -0.149,655 -0.015,656 -0.154,657 1.951,658 5.583,659 0.727,660 36.882,661 1.01,662 1.13,663 1.719,664 2.956,665 0.664,666 3.638,667 4.025,668 4.304,669 4.644,670 4.875,671 5.075,672 5.252,673 5.447,674 5.613,675 5.72,676 7.449,677 0.632,678 469.62,679 3.638,680 5.22,681 6.089,682 7.006,683 7.893,684 8.814,685 9.711,686 10.635,687 11.538,688 12.462,689 8.3,696 1,697 2,699 2,704 5,705 2,708 1,709 7,710 1,711 16,718 1,726 1,729 1,731 60,733 17,734 1,735 37,737 64,738 23,739 12,740 3,741 3,742 1,746 5,747 7,752 2,755 1,756 1,758 2,761 13,762 10,763 1,766 1,771 1,775 1,778 1,781 27,782 8,783 2,784 10,785 1,790 5,794 0.6,795 4,797 1,803 1,811 2,812 3,815 1,816 1,838 1,839 1,840 3,842 1,844 3,848 33,853 1,854 5,855 1,856 2,858 1,859 1,860 1,863 1,870 6.7,871 1,873 1,874 1,875 1,877 16.917,878 11.667,879 7,880 3.459,881 3.074,882 1.354,883 0.952,884 6.097,885 11.759,886 3.85,887 4.454,888 5.017,889 5.633,890 6.062,891 6.48,892 6.895,893 7.306,894 7.699,895 8.013,896 0.889,897 54,898 12.259,900 5.348,901 7.735,902 23.492,904 19.867,905 2.235,906 73.75,910 294.278,911 145.957,912 56.36,914 89.828,916 31.278,917 114.68,918 384.106,919 56.36,920 28.533,921 33.941,922 80.16,923 86.069,924 42.577,925 13.13,926 302.013,928 294.278,929 171.04,930 89.828,931 31.278,933 223.651,934 106.771,935 53.683,937 68.798,938 68.794,939 33.449,940 31.278,941 294.278,942 146.188,943 145.957,946 294.278,947 70.9,948 79.958,949 18.011,950 123.277,951 294.278,952 146.188,953 145.957,955 0.594,956 0.338,957 0.191,958 0.1,959 29,960 13,961 0.094,962 6,963 2,964 1.167,965 4.331,966 321.702,967 0.167,968 24,969 164.465,970 1,974 22.627,975 8.892,976 4.61,978 144.412,979 9.703,980 9.22,983 1.423,984 5.952,985 1.71,986 60.694,987 586.423,988 46,993 12.583,997 -0.06,999 60.614,1000 67.816,1001 0.289,1002 0.687,1003 0.873,1004 0.909,1005 0.909,1006 0.909,1007 5.142,1008 1.927,1009 6.125,1010 5.848,1011 4.71,1012 5.142,1013 1.968,1014 7.002,1015 4.589,1016 6.365,1017 1.5,1018 7.725,1019 5.511,1020 4.511,1021 5.056,1022 0.325,1023 8.122,1024 4.368,1025 7.696,1026 1.415,1027 9.427,1028 4.388,1029 6.409,1030 7.31,1031 1.818,1032 11.173,1033 6.192,1034 9.059,1035 1.24,1036 11.187,1037 3.76,1038 6.986,1039 8.017,1040 0.268,1041 13.064,1042 6.741,1043 10.452,1044 0.986,1045 12.983,1046 3.165,1047 8.406,1048 9.776,1049 1.74,1050 15.68,1051 8.102,1052 11.865,1053 0.848,1054 14.803,1055 2.391,1056 9.315,1057 10.842,1058 0.188,1059 17.873,1060 8.976,1061 13.295,1062 0.733,1063 16.641,1064 1.886,1065 10.566,1066 12.402,1067 1.707,1068 20.351,1069 10.178,1070 3.349,1071 0.657,1072 18.491,1073 1.697,1074 11.621,1075 13.641,1076 0.125,1077 22.67,1078 11.195,1079 3.158,1080 11.552,1081 20.352,1082 1.576,1083 12.814,1084 15.115,1085 1.708,1086 25.103,1087 12.344,1088 2.908,1089 10.944,1090 22.221,1091 4.181,1092 13.935,1093 16.44,1094 0.082,1095 27.478,1096 13.424,1097 2.766,1098 9.594,1099 24.096,1100 4.055,1101 15.111,1102 17.877,1103 1.735,1104 29.899,1105 14.559,1106 2.478,1107 9.125,1108 25.976,1109 3.712,1110 16.262,1111 19.243,1112 0.054,1113 32.299,1114 15.67,1115 2.29,1116 7.552,1117 27.861,1118 3.208,1119 17.436,1120 20.665,1121 1.783,1122 34.719,1123 16.804,1124 2.037,1125 7.139,1126 29.75,1127 2.962,1128 18.603,1129 22.053,1130 0.035,1131 37.132,1132 17.931,1133 14785,1134 24542,1135 24.561,1136 39.87,1137 57.583,1138 58.221,1139 58.192,1140 56.465,1141 56.584,1142 69.752,1143 7.157,1144 172.255,1145 52.948,1146 5.517,1147 5.726,1148 6.653,1149 5.451,1150 5.349,1151 7.181,1152 2.117,1153 18.895,1154 5.216,1155 17.666,1156 1.556,1157 1.574,1158 1.573,1159 1.526,1160 1.529,1161 1.885,1162 0.193,1163 4.656,1164 1.431,1165 4.075,1166 4.108,1167 4.278,1168 3.988,1169 7.429,1170 3.978,1171 3.958,1172 3.995,1173 3.985,1174 3.878,1175 6.449,1176 3.857,1177 3.829,1178 3.874,1179 3.77,1180 3.643,1181 4.982,1182 3.668,1183 3.599,1184 3.642,1185 3.588,1186 3.47,1187 4.844,1188 3.439,1189 3.533,1190 3.576,1191 3.461,1192 3.372,1193 4.716,1194 3.373,1195 3.394,1196 3.453,1197 3.271,1198 3.216,1199 4.603,1200 3.214,1201 3.189,1202 3.262,1203 3.076,1204 2.919,1205 4.288,1206 2.92,1207 3.133,1208 3.164,1209 2.984,1210 2.842,1211 4.26,1212 2.891,1213 0.123,1214 0.101,1215 0.186,1216 0.116,1217 0.091,1218 4.567,1219 0.113,1220 3.726,1221 0.029,1222 6.881,1223 0.312,1224 4.307,1225 0.087,1226 3.349,1227 4.181,1228 1.058,1229 11.552,1230 3.216,1231 1.94,1232 1.921,1233 2.023,1234 2.05,1235 1.262,1236 2.043,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.208,1242 1.99,1243 1.661,1244 1.607,1245 1.86,1246 1.916,1247 1.142,1248 1.898,1249 1.541,1250 1.5,1251 1.73,1252 1.715,1253 0.978,1254 1.725,1255 1.338,1256 1.321,1257 1.595,1258 1.629,1259 0.691,1260 1.611,1261 1.308,1262 1.253,1263 1.509,1264 1.495,1265 0.664,1266 1.512,1267 1.257,1268 1.188,1269 1.458,1270 1.419,1271 0.568,1272 1.431,1273 1.163,1274 1.118,1275 1.417,1276 1.372,1277 0.469,1278 1.374,1279 4.317,1281 5.687,1282 3.045,1283 7.236,1284 5.352,1285 8.875,1286 7.424,1287 10.564,1289 5.583,1294 9.979,1295 2.514,1296 3.055,1297 10.886,1299 -0.617,1300 2.123,1301 -0.303,1305 37.948,1306 102.38,1307 243.61,1308 309.394,1309 322.149,1310 322.149,1311 322.149,1312 60.49,1313 8.685,1314 101.74,1315 129.98,1316 28,1317 12.972,1318 4.17,1319 3.322,1320 47.882,1321 144,1322 184,1323 0.16,1324 232.096,1325 399.51,1326 558.073,1327 80033,1329 23.165,1330 0.702,1331 0.597,1332 23.518,1333 19.685,1334 15.826,1335 0.428,1336 0.316,1337 10.753,1338 14.605,1339 10.348,1340 8.537,1341 16.234,1342 11.709,1343 15.366,1344 0.279,1345 0.182,1346 15.981,1347 10.007,1348 12.328,1349 0.169,1350 0.094,1351 13.218,1352 6.85,1353 11.263,1354 0.109,1355 0.051,1356 12.17,1357 5.266,1358 8.547,1359 0.066,1360 0.029,1361 9.516,1362 3.735,1363 0.252,1364 104.699,1365 0.202,1366 30.583,1367 0.437,1368 184,1369 549.13,1370 231.857,1371 538.506,1372 737.87,1373 506,1374 220,1375 528.887,1376 268.51,1377 549.227,1378 811.25,1379 513,1380 6.614}
{0 CHEMBL501683,1 1.654,2 17.661,3 3.026,4 9.156,5 202.261,6 7.866,7 0.258,8 4.704,9 4.802,10 4.308,11 4.187,12 5.885,13 4.195,14 5.284,15 5.438,16 4.726,17 4.642,18 6.448,19 4.638,20 5.58,21 5.737,22 4.928,23 4.896,24 6.722,25 4.873,26 5.821,27 5.995,28 5.045,29 5.016,30 6.977,31 4.986,32 5.942,33 6.127,34 5.095,35 5.038,36 7.186,37 5.011,38 5.93,39 6.114,40 5.042,41 5.027,42 7.181,43 4.994,44 5.926,45 6.108,46 5.013,47 5.039,48 7.194,49 4.991,50 5.98,51 6.195,52 4.885,53 4.997,54 7.147,55 4.925,56 0.387,57 1.424,58 18.646,59 9.19,60 30.917,61 11.146,62 1.023,63 2.351,64 39.188,65 15.623,66 119.317,67 19.772,68 1.181,69 3.065,70 52.778,71 21.868,72 142.754,73 27.507,74 1.773,75 3.604,76 71.688,77 26.979,78 217.807,79 34.187,80 2.86,81 3.76,82 86.653,83 29.211,84 328.212,85 37.252,86 2.938,87 3.715,88 86.056,89 28.303,90 352.931,91 35.747,92 2.591,93 3.742,94 83.687,95 29.342,96 350.561,97 37.173,98 2.93,99 3.753,100 95.411,101 30.07,102 389.8,103 39.37,104 150,105 94,106 0.239,107 0.603,108 0.818,109 0.877,110 0.883,111 0.883,112 4.046,113 0.887,114 -2.93,115 -2.94,116 -2.84,119 39.8,120 2,121 6,122 1,123 2,124 3,125 2,127 2,136 4,137 1,138 1,142 4,144 3,145 2,146 2,156 2,158 2,166 4,172 14,174 4,175 18,180 1,183 17,186 3,187 25,190 1,192 3,195 15,198 9,199 26,204 3,207 14,211 9,212 20,215 3,217 2,220 17,223 9,224 19,227 2,229 3,232 19,236 7,237 21,240 1,242 2,245 17,249 4,250 23,253 1,255 1,258 9,262 5,263 24,266 1,268 1,271 7,275 8694,276 37.132,277 37.132,278 37.132,279 37.132,280 37.132,281 33.871,282 47.972,283 21.192,284 37.861,285 30.441,286 30.441,287 30.441,288 30.441,289 30.441,290 25.121,291 64.135,292 9.818,293 31.455,294 4.961,295 2.443,296 0.957,297 0.549,298 0.508,299 0.508,300 4.749,306 2161,307 5.831,310 237.398,311 665.924,314 427.45,315 388.135,318 2.363,319 106.66,322 0.5,323 0.33,324 0.5,325 0.8,326 0.5,327 0.33,329 0.42,330 126,331 989,332 5.022,333 4.258,334 8.266,335 4.843,336 3.849,337 4.631,338 2.612,339 16.383,340 3.827,341 4.669,342 4.071,343 7.865,344 4.578,345 3.575,346 4.41,347 2.455,348 14.589,349 3.583,350 4.655,351 3.808,352 6.845,353 4.192,354 3.226,355 3.845,356 2.178,357 11.339,358 3.115,359 4.214,360 3.719,361 6.697,362 3.87,363 2.898,364 3.631,365 1.674,366 10.497,367 2.831,368 4.058,369 3.64,370 6.59,371 3.794,372 2.791,373 3.587,374 1.148,375 10.014,376 2.789,377 4.025,378 3.486,379 6.174,380 3.662,381 2.703,382 3.439,383 0.86,384 8.884,385 2.583,386 4.001,387 3.219,388 6.06,389 3.621,390 2.674,391 3.185,392 0.8,393 8.613,394 2.531,395 3.736,396 3.066,397 5.891,398 3.453,399 2.486,400 2.961,401 0.8,402 7.912,403 2.381,404 3.625,405 3.024,406 5.748,407 3.22,408 2.235,409 2.926,410 0.525,411 7.293,412 2.194,413 3.608,414 2.658,415 5.387,416 3.166,417 2.212,418 2.819,420 6.409,421 2.102,422 3.283,423 2.633,424 5.366,425 3.072,426 2.103,427 2.387,428 6.137,429 2.018,430 3.121,431 2.603,432 5.155,433 2.818,434 1.857,435 2.238,436 5.56,437 1.77,438 3.034,439 2.306,440 4.872,441 2.688,442 1.75,443 2.228,445 4.679,446 1.685,447 2.959,448 2.033,449 4.461,450 2.668,451 1.636,452 1.967,454 4.173,455 1.634,456 2.943,457 1.939,458 4.369,459 2.606,460 1.61,461 1.941,463 4.129,464 1.59,465 25.567,466 0.457,467 1.801,468 0.032,469 66,470 1.179,471 28.5,472 0.509,473 37.5,474 0.67,475 74.94,476 1.338,477 62.633,478 0.639,479 72.537,480 1.295,481 12.665,482 0.226,483 14.05,484 0.251,485 0.189,486 0.039,487 0.379,493 0.607,494 1.315,495 0.703,496 1.169,497 0.551,498 1.003,499 0.747,500 0.994,501 0.732,502 0.896,503 0.489,504 0.815,505 0.789,506 1.142,507 0.864,508 1.139,509 0.697,510 1.043,511 0.949,512 1.097,513 0.963,514 1.174,515 0.991,516 1.098,517 1.054,518 0.985,519 0.977,520 1.046,521 0.999,522 1.009,523 1.172,524 0.91,525 1.083,526 0.982,527 1.147,528 1.01,529 1.075,530 1.059,531 1.109,532 1.161,533 1.083,534 1.155,535 1.207,536 0.925,537 1.141,538 0.989,539 1.266,540 1.048,541 12.5,542 0.534,543 9.333,544 6.472,545 6.127,546 4.199,547 2.815,548 1.741,549 1.252,550 0.77,551 62106,552 194709,553 2.043,554 42.9,555 11,556 19,557 1,558 2,559 1,560 4,561 4,564 1.881,565 1.856,566 3.957,567 -0.347,573 162.07,574 1.654,575 4.172,576 5.658,577 6.066,578 6.107,579 6.107,580 3.452,581 5.557,582 5.773,583 4.236,584 6523.84,585 10.331,586 138057,591 648.242,592 1.708,593 5.703,594 0.202,595 0.007,596 0.099,597 0.058,598 0.051,599 0.034,600 0.024,601 0.016,602 0.013,603 0.009,604 0.513,605 0.33,606 0.5,607 0.855,608 344.075,609 0.084,610 -0.073,611 0.065,612 -0.028,613 0.002,614 -0.003,615 0.038,616 0.141,617 0.135,618 0.176,619 0.114,620 0.187,621 -0.003,622 -0.045,623 0.009,624 -0.054,625 0.016,626 -0.024,627 -0.026,628 -0.069,629 -0.029,630 -0.129,631 -0.071,632 -0.092,633 0.046,634 -0.029,635 0.021,636 -0.034,637 0.014,638 -0.017,639 -0.042,640 0.054,641 -0.081,642 0.018,643 -0.034,644 -0.03,645 -0.027,646 -0.091,647 -0.13,648 -0.135,649 0.012,650 -0.155,651 -0.125,652 -0.02,653 -0.108,654 -0.001,655 -0.114,656 -0.044,657 2.644,658 7.458,659 0.571,660 88.893,661 1.022,662 1.13,663 1.702,664 2.898,665 0.65,666 4.143,667 4.554,668 4.927,669 5.283,670 5.598,671 5.832,672 6.052,673 6.232,674 6.384,675 6.494,676 10.055,677 0.637,678 770.87,679 4.143,680 5.746,681 6.653,682 7.593,683 8.53,684 9.483,685 10.434,686 11.396,687 12.356,688 13.325,689 6.1,695 2,699 3,700 1,703 2,704 6,705 3,707 1,709 3,711 16,725 1,726 2,731 98,733 25,734 1,735 62,737 104,738 39,739 11,740 4,741 2,742 8,746 7,747 14,752 2,753 2,754 2,755 5,756 1,758 8,761 21,762 18,763 1,766 9,768 1,771 6,773 1,775 9,781 42,782 16,783 1,784 17,790 6,794 0.429,795 11,805 1,811 2,812 5,815 2,816 2,824 2,829 2,831 1,832 4,838 1,839 1,840 3,844 5,848 56,853 1,854 8,856 3,858 3,859 2,860 2,870 11.2,872 1,873 4,874 1,875 3,876 2,877 30.167,878 19.4,879 12.097,880 5.953,881 3.723,882 1.368,883 0.932,884 10.76,885 13.847,886 4.382,887 4.982,888 5.575,889 6.142,890 6.652,891 7.008,892 7.378,893 7.65,894 7.857,895 8.093,896 0.917,897 112,898 21.225,900 9.838,901 8.051,902 38.916,904 33.295,905 2.551,906 142.833,910 482.615,911 182.229,912 67.897,914 236.971,917 182.229,918 719.586,919 67.897,920 50.996,921 30.953,922 37.905,923 258.433,924 81.605,925 11.771,926 447.302,927 50.747,928 482.615,929 250.127,930 236.971,933 435.531,934 222.308,935 61.747,937 61.939,938 126.539,939 61.649,941 482.615,942 304.868,943 182.229,946 482.615,947 71.856,948 122.292,950 292.949,951 482.615,952 304.868,953 182.229,955 0.597,956 0.37,957 0.209,958 0.12,959 47,960 24,961 0.125,962 13,963 4,964 1.25,965 5.615,966 703.272,967 0.25,968 32,969 317.212,974 39.443,975 15.277,976 6.678,977 0.277,978 299.198,979 9.539,980 11.579,982 4.779,984 1.022,986 42.683,987 969.712,988 79,990 -0.559,993 78.266,995 1.494,997 -2.119,999 100.116,1000 110.767,1001 0.25,1002 0.631,1003 0.855,1004 0.917,1005 0.923,1006 0.923,1007 5.697,1008 2.486,1009 6.708,1010 8.613,1011 5.242,1012 5.672,1013 3.731,1014 7.682,1015 5.189,1016 6.938,1017 2.235,1018 8.379,1019 7.912,1020 5.13,1021 5.677,1022 3.275,1023 9.096,1024 5.078,1025 8.299,1026 2.212,1027 10.168,1028 7.293,1029 7.022,1030 7.878,1031 5.075,1032 12.295,1033 6.939,1034 9.698,1035 2.103,1036 12.033,1037 6.409,1038 7.75,1039 8.703,1040 5.313,1041 14.585,1042 7.679,1043 11.135,1044 1.857,1045 13.949,1046 6.137,1047 9.19,1048 10.437,1049 6.688,1050 17.429,1051 9.102,1052 12.599,1053 1.75,1054 15.902,1055 5.56,1056 10.264,1057 11.62,1058 7.244,1059 20.031,1060 10.186,1061 14.085,1062 1.636,1063 17.883,1064 4.679,1065 11.582,1066 13.195,1067 8.414,1068 22.803,1069 11.497,1070 3.849,1071 1.61,1072 19.887,1073 4.173,1074 12.795,1075 14.544,1076 9.136,1077 25.513,1078 12.717,1079 3.575,1080 16.383,1081 21.908,1082 4.129,1083 14.091,1084 16.065,1085 10.201,1086 28.277,1087 14.011,1088 3.226,1089 14.589,1090 23.943,1091 4.631,1092 15.361,1093 17.494,1094 11.015,1095 31.027,1096 15.284,1097 2.898,1098 11.339,1099 25.99,1100 4.41,1101 16.662,1102 18.999,1103 12.024,1104 33.795,1105 16.583,1106 2.791,1107 10.497,1108 28.046,1109 3.845,1110 17.959,1111 20.468,1112 12.89,1113 36.562,1114 17.881,1115 2.703,1116 10.014,1117 30.11,1118 3.631,1119 19.268,1120 21.972,1121 13.87,1122 39.335,1123 19.189,1124 2.674,1125 8.884,1126 32.181,1127 3.587,1128 20.58,1129 23.462,1130 14.767,1131 42.11,1132 20.499,1133 58043,1134 103130,1135 39.994,1136 63.739,1137 97.338,1138 100.725,1139 102.358,1140 95.472,1141 95.43,1142 118.166,1143 26.106,1144 301.372,1145 92.672,1146 6.022,1147 6.258,1148 8.068,1149 5.936,1150 5.849,1151 7.631,1152 4.612,1153 25.386,1154 5.827,1155 36.766,1156 1.57,1157 1.625,1158 1.651,1159 1.54,1160 1.539,1161 1.906,1162 0.421,1163 4.861,1164 1.495,1165 4.15,1166 4.17,1167 4.117,1168 4.059,1169 7.815,1170 4.065,1171 4.09,1172 4.112,1173 4.066,1174 3.944,1175 7.438,1176 3.97,1177 3.911,1178 3.948,1179 3.852,1180 3.796,1181 7.43,1182 3.805,1183 3.839,1184 3.866,1185 3.778,1186 3.727,1187 7.427,1188 3.734,1189 3.746,1190 3.799,1191 3.637,1192 3.582,1193 7.424,1194 3.579,1195 3.596,1196 3.624,1197 3.573,1198 3.386,1199 6.999,1200 3.4,1201 3.533,1202 3.562,1203 3.48,1204 3.292,1205 6.459,1206 3.315,1207 3.51,1208 3.541,1209 3.415,1210 3.27,1211 5.383,1212 3.305,1213 0.081,1214 0.069,1215 0.133,1216 0.078,1217 0.062,1218 5.022,1219 0.075,1220 4.258,1221 0.042,1222 8.266,1223 0.264,1224 4.843,1225 0.062,1226 3.849,1227 4.631,1228 2.612,1229 16.383,1230 3.827,1231 2.032,1232 2.022,1233 2.115,1234 2.128,1235 1.511,1236 2.121,1237 1.941,1238 1.916,1239 2.022,1240 2.104,1241 1.311,1242 2.066,1243 1.845,1244 1.807,1245 1.961,1246 1.991,1247 1.247,1248 1.985,1249 1.746,1250 1.72,1251 1.926,1252 1.919,1253 1.126,1254 1.918,1255 1.708,1256 1.655,1257 1.891,1258 1.883,1259 1.118,1260 1.883,1261 1.573,1262 1.531,1263 1.804,1264 1.753,1265 1.008,1266 1.767,1267 1.456,1268 1.412,1269 1.674,1270 1.749,1271 0.848,1272 1.704,1273 1.427,1274 1.373,1275 1.667,1276 1.684,1277 0.812,1278 1.68,1279 4.828,1281 6.217,1282 3.045,1283 7.812,1284 5.416,1285 9.521,1286 7.545,1287 11.299,1289 8.471,1294 11.866,1295 1.969,1297 17.84,1299 -2.645,1300 3.484,1301 -2.431,1305 62.474,1306 162.07,1307 408.861,1308 554.467,1309 594.467,1310 598.467,1311 598.467,1312 204.849,1313 10.123,1314 220.31,1315 220.31,1316 40,1317 13.804,1318 4.7,1319 4.17,1320 86.637,1321 322,1322 410,1323 0.124,1324 373.931,1325 687.13,1326 904.153,1327 489449,1329 40.103,1330 0.716,1331 0.565,1332 40.103,1333 31.643,1334 26.715,1335 0.431,1336 0.296,1337 17.979,1338 25.194,1339 17.492,1340 14.388,1341 26.715,1342 18.334,1343 25.252,1344 0.269,1345 0.161,1346 25.252,1347 15.106,1348 22.333,1349 0.163,1350 0.087,1351 22.333,1352 11.884,1353 19.352,1354 0.099,1355 0.046,1356 19.352,1357 8.981,1358 16.228,1359 0.06,1360 0.024,1361 16.228,1362 6.397,1363 0.195,1364 171.645,1365 0.158,1366 46.334,1367 0.339,1368 312,1369 1065.38,1370 351.692,1371 991.767,1372 1322.6,1373 918,1374 387,1375 968.563,1376 429.196,1377 960.088,1378 1412.95,1379 896,1380 6.582}
{0 CHEMBL502174,1 1.865,2 8.8,3 3.67,4 13.467,5 76.218,6 9.21,7 0.571,8 3.577,9 3.673,10 3.293,11 3.143,12 4.87,13 3.145,14 4.038,15 4.175,16 3.682,17 3.479,18 5.474,19 3.469,20 4.258,21 4.425,22 3.687,23 3.58,24 5.572,25 3.543,26 4.309,27 4.508,28 3.605,29 3.503,30 5.541,31 3.441,32 4.269,33 4.486,34 3.586,35 3.373,36 5.66,37 3.291,38 4.058,39 4.296,40 3.207,41 3.202,42 5.256,43 3.12,44 3.818,45 4.002,46 3.233,47 3.14,48 5.102,49 3.096,50 3.757,51 3.918,52 3.341,53 3.113,54 5.184,55 3.053,56 0.133,57 0.503,58 4.292,59 2.769,60 17.1,61 2.942,62 0.315,63 0.77,64 9.05,65 4.412,66 43.393,67 5.121,68 0.405,69 0.937,70 13.204,71 5.647,72 48.268,73 6.218,74 0.477,75 0.877,76 15.428,77 5.923,78 64.153,79 6.767,80 0.705,81 0.793,82 22.161,83 6.188,84 89.441,85 7.598,86 0.494,87 0.631,88 16.939,89 4.876,90 66.62,91 6.097,92 0.321,93 0.573,94 9.301,95 3.606,96 44.72,97 3.836,98 0.248,99 0.505,100 9.841,101 3.97,102 29.245,103 4.604,104 27,105 29,106 0.35,107 0.735,108 0.832,109 0.9,110 0.9,111 0.9,112 3.057,113 0.89,114 -2.79,115 -2.8,116 -2.71,119 43.8,120 1,125 1,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,175 4,178 1,180 3,183 5,184 2,187 3,190 1,192 6,195 4,200 1,204 1,207 2,208 1,211 1,212 3,215 1,217 3,218 1,220 2,224 3,227 1,228 1,232 5,245 7,246 2,250 2,255 2,258 6,259 3,263 3,268 3,275 466,276 12.878,277 12.878,278 12.878,279 12.878,280 12.878,281 11.156,282 15.812,283 7.536,284 13.213,285 10.345,286 10.345,287 10.345,288 10.345,289 10.345,290 7.748,291 19.97,292 3.594,293 10.954,294 3.135,295 1.088,296 0.574,297 0.211,298 0.211,299 0.211,300 3.71,302 1,303 1,304 1,305 1,306 360,307 2.828,311 138.495,318 1.24,319 30.257,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 44.833,331 176,332 4.277,333 3.587,334 6.066,335 3.874,336 2.904,337 3.917,338 1.437,339 8.779,340 2.818,341 4.221,342 3.107,343 6.026,344 3.814,345 2.837,346 3.872,347 0.657,348 8.661,349 2.77,350 3.678,351 2.994,352 5.33,353 3.288,354 2.331,355 2.995,357 6.72,358 2.217,359 3.467,360 2.681,361 4.96,362 3.045,363 2.127,364 2.778,366 5.818,367 1.936,368 3.287,369 2.463,370 4.774,371 2.834,372 1.954,373 2.539,375 5.346,376 1.624,377 2.846,378 1.821,379 4.17,380 2.453,381 1.468,382 1.977,384 3.762,385 1.439,386 2.648,387 1.662,388 3.715,389 2.105,390 1.118,391 1.602,393 2.704,394 1.068,395 1.965,396 1.004,397 3.268,398 1.687,399 0.75,400 0.884,402 1.761,403 0.698,404 1.262,405 0.448,406 2.64,407 0.95,413 0.945,414 0.404,415 2.359,416 0.446,417 -0.398,418 -0.503,420 -1.008,421 -0.251,422 0.804,423 0.208,424 2.327,425 0.407,426 -0.514,427 -0.621,428 -1.242,429 -0.472,430 0.771,431 0.009,432 2.15,433 0.331,434 -0.624,435 -0.803,436 -1.765,437 -0.592,438 0.446,439 -0.392,440 1.826,441 0.001,442 -1,443 -1.136,445 -2,446 -0.85,447 0.196,448 -0.709,449 1.477,450 -0.126,451 -1,452 -1.429,454 -2.761,455 -0.988,456 0.019,457 -0.938,458 1.372,459 -0.319,460 -1.219,461 -1.559,463 -3.224,464 -1.053,465 9.467,466 0.473,467 0.634,468 0.032,469 26.5,470 1.325,471 14,472 0.7,473 12.5,474 0.625,475 13.73,476 0.686,477 21.733,478 0.679,479 18.547,480 0.927,481 5.535,482 0.277,483 3.917,484 0.196,485 0.229,487 0.37,491 1,493 0.701,494 1.017,495 0.575,496 0.859,497 0.667,498 0.813,499 0.54,500 1.082,501 0.585,502 0.942,503 0.449,504 0.88,505 0.942,506 1.129,507 0.936,508 1.074,509 0.871,510 1.104,511 0.988,512 1.048,513 0.903,514 1.001,515 0.936,516 1.09,517 0.701,518 0.866,519 1.144,520 1.175,521 0.772,522 1.122,523 0.849,524 0.665,525 0.964,526 0.708,527 0.863,528 0.794,529 1.158,530 0.852,531 0.928,532 0.715,533 1.128,534 0.848,535 0.767,536 0.921,537 1.034,538 1.117,539 0.735,540 1.032,541 5.5,542 0.07,543 2.222,544 1.375,545 1.307,546 0.528,547 0.204,548 0.352,549 0.225,550 0.121,551 3581,552 14886,553 1.938,554 37.5,555 3,556 7,559 2,564 1.616,565 1.765,566 3.127,567 0.41,569 1,571 1,573 59.677,574 1.865,575 3.912,576 4.426,577 4.789,578 4.789,579 4.789,580 2.504,581 3.922,582 4.298,583 3.263,584 619.942,585 7.33,586 6472.18,587 1,588 1,589 1,590 1,591 160,592 1.559,593 4.219,594 0.262,595 0.014,596 0.077,597 0.049,598 0.057,599 0.026,600 0.012,601 0.021,602 0.013,603 0.011,604 0.542,605 0.5,606 1,607 0.932,608 89.277,609 -0.092,610 -0.037,611 -0.016,612 0.049,613 -0.1,614 0.044,615 0.127,616 -0.118,617 0.105,618 -0.025,619 0.179,620 0.026,621 -0.134,622 -0.093,623 -0.144,624 -0.15,625 -0.09,626 -0.188,627 -0.15,628 -0.159,629 -0.043,630 -0.077,631 -0.121,632 -0.125,633 0.245,634 0.037,635 0.048,636 -0.17,637 0.122,638 -0.08,639 -0.011,640 0.138,641 0.045,642 0.256,643 -0.056,644 0.257,645 -0.241,646 0.208,647 -0.074,648 0.232,649 -0.225,650 0.093,651 0.09,652 -0.035,653 0.111,654 -0.067,655 0.101,656 -0.005,657 2.728,658 4.983,659 0.6,660 13.9,661 1.031,662 1.131,663 1.556,664 2.422,665 0.696,666 3.091,667 3.401,668 3.555,669 3.738,670 3.912,671 3.807,672 3.738,673 3.738,674 3.784,675 3.85,676 5.342,677 0.683,678 294.73,679 3.091,680 4.615,681 5.425,682 6.282,683 7.111,684 7.966,685 8.801,686 9.654,687 10.492,688 11.345,689 6.3,694 1,699 1,704 5,705 1,709 6,711 12,720 1,724 1,730 2,731 32,733 13,734 1,735 21,737 33,738 14,739 11,740 3,741 3,742 1,746 2,747 2,748 1,752 1,761 12,762 2,766 1,771 1,775 1,777 1,778 1,779 1,781 12,782 5,783 2,784 6,785 1,790 2,794 1,795 2,805 1,812 2,838 1,840 2,844 1,845 1,846 1,848 20,853 1,854 1,855 1,869 2,870 6.3,872 1,873 1,877 11.333,878 6.019,879 4.389,880 1.728,881 2.319,882 1.372,883 0.938,884 4.452,885 8.557,886 3.367,887 3.97,888 4.454,889 4.951,890 5.442,891 5.421,892 5.48,893 5.574,894 5.987,895 6.386,896 0.833,897 28,898 7.358,900 3.115,901 8.289,902 13.324,904 10.428,905 2.789,906 55.778,910 117.711,911 83.299,912 34.796,913 39.149,914 67.828,915 14.96,917 83.299,918 224.688,919 49.756,920 8.825,921 2.106,922 47.381,923 103.534,924 21.006,925 57.181,926 117.711,928 117.711,929 118.096,930 82.788,931 39.149,933 132.671,934 67.828,937 13.688,938 69.612,939 34.796,940 39.149,941 132.671,942 102.625,943 122.448,946 117.711,947 27.093,948 56.206,949 18.011,950 138.723,951 117.711,952 117.585,953 122.448,955 0.587,956 0.323,957 0.162,958 0.091,959 13,960 7,961 0.121,962 4,964 1,965 3.18,966 139.943,968 12,969 84.439,974 14.601,975 6.098,976 3.845,978 117.585,979 7.115,980 4.044,984 1.909,986 60.694,987 357.744,988 28,993 10.923,997 -1.062,999 32.996,1000 36.19,1001 0.373,1002 0.782,1003 0.885,1004 0.958,1005 0.958,1006 0.958,1007 4.585,1008 0.75,1009 5.425,1010 2.704,1011 4.078,1012 4.654,1013 1.79,1014 6.18,1015 3.976,1016 5.81,1018 6.961,1019 1.761,1020 3.761,1021 4.543,1023 6.957,1024 3.581,1025 7.116,1026 -0.398,1027 8.588,1029 5.631,1030 6.829,1031 2.292,1032 9.966,1033 5.463,1034 8.451,1035 -0.514,1036 10.263,1037 -1.008,1038 6.019,1039 7.413,1041 11.472,1042 5.799,1043 9.809,1044 -0.624,1045 11.966,1046 -1.242,1047 7.43,1048 9.249,1049 2.931,1050 14.008,1051 7.213,1052 11.182,1053 -1,1054 13.689,1055 -1.765,1056 8.149,1057 10.171,1059 15.849,1060 7.897,1061 12.569,1062 -1,1063 15.426,1064 -2,1065 9.363,1066 11.798,1067 3.621,1068 18.186,1069 9.105,1070 2.904,1071 -1.219,1072 17.174,1073 -2.761,1074 10.249,1075 12.906,1077 20.192,1078 9.962,1079 2.837,1080 8.779,1081 18.931,1082 -3.224,1083 11.375,1084 14.421,1085 4.33,1086 22.438,1087 11.074,1088 2.331,1089 8.661,1090 20.694,1091 3.917,1092 12.345,1093 15.634,1095 24.526,1096 12.017,1097 2.127,1098 6.72,1099 22.464,1100 3.872,1101 13.431,1102 17.085,1103 5.048,1104 26.729,1105 13.084,1106 1.954,1107 5.818,1108 24.238,1109 2.995,1110 14.444,1111 18.359,1113 28.856,1114 14.069,1115 1.468,1116 5.346,1117 26.016,1118 2.778,1119 15.512,1120 19.773,1121 5.769,1122 31.04,1123 15.115,1124 1.118,1125 3.762,1126 27.797,1127 2.539,1128 16.546,1129 21.082,1131 33.187,1132 16.122,1133 3677,1134 7597,1135 13.235,1136 22.284,1137 31.446,1138 32.253,1139 32.427,1140 31.212,1141 30.979,1142 41.128,1143 4.188,1144 87.102,1145 29.138,1146 5.109,1147 5.587,1148 5.428,1149 4.918,1150 4.904,1151 6.917,1152 2.873,1153 15.023,1154 4.818,1155 12.258,1156 1.497,1157 1.536,1158 1.544,1159 1.486,1160 1.475,1161 1.958,1162 0.199,1163 4.148,1164 1.388,1165 3.974,1166 4.007,1167 4.015,1168 3.881,1169 8.201,1170 3.886,1171 3.877,1172 3.9,1173 3.876,1174 3.792,1175 7.475,1176 3.797,1177 3.366,1178 3.412,1179 3.46,1180 3.147,1181 6.351,1182 3.166,1183 3.189,1184 3.263,1185 3.288,1186 3.021,1187 5.017,1188 3.004,1189 3.159,1190 3.177,1191 3.02,1192 2.918,1193 4.671,1194 2.95,1195 2.871,1196 2.92,1197 2.888,1198 2.73,1199 4.323,1200 2.735,1201 2.659,1202 2.729,1203 2.636,1204 2.436,1205 3.923,1206 2.437,1207 2.493,1208 2.572,1209 2.324,1210 2.248,1211 3.865,1212 2.245,1213 0.204,1214 0.171,1215 0.289,1216 0.184,1217 0.138,1218 4.277,1219 0.187,1220 3.587,1221 0.068,1222 6.066,1223 0.418,1224 3.874,1225 0.134,1226 2.904,1227 3.917,1228 1.437,1229 8.779,1230 2.818,1231 1.922,1232 1.893,1233 2.025,1234 2.037,1235 1.153,1236 2.035,1237 1.839,1238 1.818,1239 1.912,1240 1.948,1241 1.035,1242 1.943,1243 1.285,1244 1.231,1245 1.543,1246 1.54,1247 0.667,1248 1.526,1249 1.202,1250 1.123,1251 1.493,1252 1.419,1253 0.584,1254 1.461,1255 0.973,1256 0.974,1257 1.07,1258 1.314,1259 0.127,1260 1.242,1261 0.831,1262 0.784,1263 1.034,1264 1.019,1265 0.044,1266 1.034,1267 0.632,1268 0.555,1269 0.944,1270 0.871,1272 0.911,1273 0.45,1274 0.374,1275 0.794,1276 0.738,1278 0.761,1279 3.761,1281 5.069,1283 6.555,1285 8.127,1287 9.741,1289 1.777,1290 5.776,1291 12.983,1294 8.945,1295 0.299,1296 3.069,1305 21.844,1306 59.677,1307 125.171,1308 141.635,1309 153.245,1310 153.245,1311 153.245,1312 43.771,1313 6.238,1314 62.22,1315 62.22,1316 12,1317 11.903,1318 3.807,1319 3,1320 36.513,1321 65,1322 58,1323 0.283,1324 140.897,1325 246.62,1326 335.548,1327 3542,1328 6.3,1329 14.698,1330 0.735,1331 0.57,1332 14.328,1333 11.408,1334 9.452,1335 0.45,1336 0.297,1337 5.793,1338 8.767,1339 5.605,1340 4.652,1341 9.347,1342 6.231,1343 8.915,1344 0.307,1345 0.161,1346 8.69,1347 4.675,1348 6.575,1349 0.193,1350 0.086,1351 6.49,1352 2.936,1353 5.189,1354 0.127,1355 0.049,1356 5.172,1357 2.003,1358 4.068,1359 0.083,1360 0.025,1361 4.161,1362 1.209,1363 0.441,1364 62.773,1365 0.275,1366 19.99,1367 0.776,1368 100,1369 404.178,1370 128.203,1371 394.309,1372 502.58,1373 362,1374 113,1375 326.37,1376 132.849,1377 335.327,1378 483.21,1379 313,1380 4}
{0 CHEMBL504616,1 1.637,2 10.107,3 3.832,4 14.681,5 111.028,6 7.891,7 0.5,8 4.034,9 4.144,10 3.711,11 3.622,12 5.079,13 3.582,14 4.609,15 4.779,16 4.166,17 4.062,18 5.592,19 4.015,20 4.841,21 5.01,22 4.206,23 4.234,24 5.845,25 4.137,26 4.992,27 5.234,28 4.158,29 4.238,30 5.936,31 4.096,32 4.772,33 4.973,34 4.07,35 4.068,36 5.822,37 3.962,38 4.599,39 4.774,40 3.923,41 3.993,42 5.543,43 3.882,44 4.635,45 4.824,46 3.912,47 3.953,48 5.636,49 3.869,50 4.723,51 4.938,52 3.84,53 3.94,54 5.729,55 3.827,56 0.032,57 0.769,58 10.174,59 4.833,60 6.705,61 5.963,62 0.21,63 1.318,64 22.202,65 8.104,66 18.491,67 10.378,68 0.298,69 1.584,70 27.814,71 10.941,72 32.935,73 13.474,74 0.311,75 1.758,76 41.476,77 14.615,78 43.376,79 18.334,80 0.519,81 1.481,82 31.491,83 9.873,84 54.831,85 11.634,86 0.186,87 1.284,88 27.019,89 9.804,90 15.054,91 11.439,92 0.305,93 1.233,94 23.267,95 8.764,96 28.93,97 11.031,98 0.441,99 1.324,100 28.177,101 9.582,102 46.627,103 12.341,104 17,105 49,106 0.274,107 0.637,108 0.814,109 0.843,110 0.843,111 0.843,112 3.376,113 0.963,114 -4.36,115 -4.29,116 -4.05,119 42,120 2,121 2,123 1,124 1,125 2,142 3,143 2,144 2,145 1,146 1,151 1,152 1,157 1,162 1,166 1,172 8,174 1,175 8,183 10,186 1,187 9,195 4,198 1,199 15,207 2,211 2,212 8,220 4,223 2,224 4,232 3,236 2,237 2,245 4,249 3,250 6,258 8,263 4,271 8,275 1184,276 18.635,277 18.635,278 18.635,279 18.635,280 18.635,281 16.691,282 23.555,283 10.515,284 19.134,285 15.834,286 15.834,287 15.834,288 15.834,289 15.834,290 12.71,291 30.835,292 5.041,293 16.713,294 4.007,295 1.837,296 0.78,297 0.605,298 0.605,299 0.605,300 4.082,304 1,305 1,306 631,307 2.828,310 115.747,311 196.056,314 98.567,315 109.287,318 1.551,319 23.527,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 283,332 4.567,333 3.735,334 6.881,335 4.329,336 3.349,337 4.18,338 1.277,339 11.552,340 3.302,341 4.417,342 3.407,343 6.713,344 4.104,345 3.157,346 4.051,347 0.86,348 10.944,349 3.002,350 4.177,351 3.08,352 6.321,353 3.848,354 2.892,355 3.696,356 0.8,357 9.589,358 2.744,359 4.02,360 2.921,361 6.149,362 3.704,363 2.748,364 3.205,366 9.067,367 2.621,368 3.646,369 2.799,370 5.686,371 3.282,372 2.335,373 2.921,375 7.488,376 2.198,377 3.492,378 2.461,379 5.118,380 3.1,381 2.146,382 2.767,384 6.052,385 2.044,386 3.244,387 2.298,388 5.047,389 2.916,390 1.928,391 2.396,393 5.844,394 1.879,395 2.829,396 1.828,397 4.584,398 2.424,399 1.497,400 1.949,402 4.382,403 1.379,404 2.727,405 1.583,406 4.176,407 2.335,408 1.412,409 1.807,411 3.664,412 1.291,413 2.465,414 1.291,415 3.944,416 2.173,417 1.207,418 1.459,420 3.127,421 1.158,422 2.31,423 1.246,424 3.793,425 1.731,426 0.849,427 1.176,428 2.39,429 0.727,430 2.185,431 0.923,432 3.377,433 1.659,434 0.735,435 1.038,436 1.862,437 0.671,438 1.988,439 0.692,440 3.268,441 1.591,442 0.657,443 0.868,445 1.65,446 0.61,447 1.049,448 0.549,449 3.227,450 0.773,451 -0.197,452 -0.228,454 -0.573,455 -0.188,456 0.976,457 0.009,458 2.794,459 0.629,460 -0.333,461 -0.395,463 -0.956,464 -0.31,465 13.6,466 0.486,467 0.95,468 0.034,469 35.25,470 1.259,471 16.5,472 0.589,473 18.75,474 0.67,475 27.379,476 0.978,477 29.6,478 0.592,479 24.31,480 0.868,481 6.299,482 0.225,483 7.094,484 0.253,485 0.135,486 0.037,487 0.353,493 0.7,494 1.247,495 0.711,496 0.992,497 0.585,498 0.93,499 0.978,500 0.989,501 0.709,502 0.793,503 0.609,504 0.719,505 1.108,506 1.12,507 1.018,508 1.073,509 1.119,510 1.128,511 0.739,512 1.067,513 1.065,514 1.104,515 0.723,516 0.93,517 1.485,518 0.945,519 1.308,520 0.984,521 1.895,522 0.962,523 0.889,524 1.196,525 1.502,526 1.451,527 0.635,528 1.189,529 1.149,530 1.008,531 0.94,532 0.966,533 1.151,534 1.004,535 1.101,536 0.979,537 1.059,538 1.073,539 1.201,540 1.085,541 7.5,542 0.171,543 3.778,544 2.479,545 2.002,546 1.098,547 0.635,548 0.507,549 0.424,550 0.242,551 9692,552 23767,553 2.146,554 44,555 6,556 10,557 1,558 1,560 4,564 1.713,565 1.988,566 3.327,567 -0.742,569 1,573 81.847,574 1.637,575 3.807,576 4.863,577 5.039,578 5.039,579 5.039,580 2.74,581 4.379,582 4.78,583 3.463,584 1308.86,585 8.327,586 16587.4,588 1,590 1,591 282.193,592 1.617,593 4.726,594 0.234,595 0.011,596 0.077,597 0.053,598 0.044,599 0.028,600 0.017,601 0.014,602 0.013,603 0.011,604 0.502,605 0.33,606 0.88,607 0.573,608 138.294,609 0.054,610 -0.121,611 0.09,612 -0.025,613 -0.02,614 0.001,615 -0.017,616 0.096,617 0.209,618 0.174,619 0.057,620 0.22,621 -0.101,622 -0.076,623 -0.101,624 -0.096,625 -0.146,626 -0.182,627 0.09,628 -0.105,629 0.101,630 0.003,631 0.148,632 0.106,633 -0.19,634 0.15,635 -0.144,636 0.067,637 -0.288,638 -0.033,639 -0.026,640 -0.104,641 -0.268,642 -0.272,643 -0.003,644 -0.195,645 -0.005,646 -0.01,647 -0.049,648 -0.03,649 -0.027,650 -0.059,651 0.057,652 -0.009,653 -0.094,654 -0.113,655 0.026,656 -0.123,657 1.451,658 5.602,659 0.857,660 22.918,661 1.002,662 1.121,663 3.126,664 9.773,665 0.689,666 3.497,667 3.912,668 4.205,669 4.554,670 4.796,671 4.977,672 5.147,673 5.352,674 5.505,675 5.576,676 6.042,677 0.649,678 394.54,679 3.497,680 5.094,681 5.974,682 6.901,683 7.797,684 8.725,685 9.628,686 10.556,687 11.463,688 12.391,689 8,697 2,699 2,704 5,705 2,708 1,709 7,710 1,711 16,716 1,726 1,729 1,731 50,733 17,734 1,735 32,737 54,738 21,739 12,740 3,741 3,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 2,761 13,762 8,766 1,771 1,775 1,778 1,781 22,782 5,784 7,785 1,790 4,794 0.6,795 2,803 1,811 2,812 3,815 1,816 1,840 3,842 1,844 3,848 28,854 4,856 1,859 1,860 1,863 1,870 4,873 1,875 1,877 14.083,878 10.217,879 5.75,880 3.034,881 2.951,882 1.357,883 1.004,884 4.182,885 11.217,886 3.738,887 4.382,888 4.963,889 5.583,890 6.01,891 6.408,892 6.817,893 7.232,894 7.609,895 7.884,896 0.857,897 47,898 10.397,900 4.578,901 7.604,902 20.234,904 17.515,905 2.104,906 58.917,908 1,909 1,910 258.964,911 139.736,912 38.349,914 36.145,916 31.278,917 108.458,918 295.109,919 38.349,920 26.047,921 11.767,922 37.476,923 75.498,924 42.577,925 13.13,926 266.7,928 258.964,929 146.808,930 36.145,931 31.278,933 258.964,934 36.145,937 46.623,938 66.736,939 33.449,940 31.278,941 258.964,942 74.494,943 139.736,946 258.964,947 67.166,948 77.471,950 69.593,951 258.964,952 74.494,953 139.736,955 0.607,956 0.348,957 0.195,958 0.106,959 28,960 12,961 0.037,962 2,963 2,964 1.167,965 3.89,966 266.445,967 0.167,968 24,969 132.606,970 1,974 18.019,975 6.498,976 3.222,978 72.718,979 10.04,980 9.15,983 1.513,984 6.628,985 1.797,987 473.194,988 41,993 12.602,997 0.215,999 50.091,1000 56.069,1001 0.29,1002 0.675,1003 0.862,1004 0.893,1005 0.893,1006 0.893,1007 5.037,1008 1.497,1009 6.023,1010 5.844,1011 4.595,1012 5.069,1013 1.903,1014 6.919,1015 4.499,1016 6.28,1017 1.412,1018 7.637,1019 4.382,1020 4.443,1021 5.017,1022 0.325,1023 8.072,1024 4.339,1025 7.624,1026 1.207,1027 9.35,1028 3.664,1029 6.319,1030 7.272,1031 2.065,1032 11.123,1033 6.152,1034 8.998,1035 0.849,1036 11.12,1037 3.127,1038 6.929,1039 7.993,1040 0.268,1041 13.034,1042 6.752,1043 10.399,1044 0.735,1045 12.925,1046 2.39,1047 8.341,1048 9.753,1049 2.377,1050 15.653,1051 8.118,1052 11.82,1053 0.657,1054 14.754,1055 1.862,1056 9.27,1057 10.826,1058 0.188,1059 17.856,1060 9.035,1061 13.255,1062 -0.197,1063 16.598,1064 1.65,1065 10.52,1066 12.386,1067 2.77,1068 20.336,1069 10.252,1070 3.349,1071 -0.333,1072 18.455,1073 -0.573,1074 11.587,1075 13.628,1076 0.125,1077 22.66,1078 11.304,1079 3.157,1080 11.552,1081 20.321,1082 -0.956,1083 12.781,1084 15.102,1085 3.207,1086 25.095,1087 12.475,1088 2.892,1089 10.944,1090 22.194,1091 4.18,1092 13.908,1093 16.427,1094 0.082,1095 27.471,1096 13.587,1097 2.748,1098 9.589,1099 24.073,1100 4.051,1101 15.086,1102 17.864,1103 3.668,1104 29.894,1105 14.747,1106 2.335,1107 9.067,1108 25.957,1109 3.696,1110 16.241,1111 19.231,1112 0.054,1113 32.295,1114 15.888,1115 2.146,1116 7.488,1117 27.845,1118 3.205,1119 17.418,1120 20.653,1121 4.142,1122 34.716,1123 17.05,1124 1.928,1125 6.052,1126 29.736,1127 2.921,1128 18.588,1129 22.042,1130 0.035,1131 37.129,1132 18.207,1133 8997,1134 14255,1135 21.383,1136 34.432,1137 50.823,1138 51.431,1139 50.818,1140 49.692,1141 49.824,1142 63.025,1143 5.875,1144 155.221,1145 47.254,1146 5.517,1147 5.735,1148 6.409,1149 5.471,1150 5.349,1151 7.18,1152 2.555,1153 18.895,1154 5.302,1155 13.779,1156 1.588,1157 1.607,1158 1.588,1159 1.553,1160 1.557,1161 1.97,1162 0.184,1163 4.851,1164 1.477,1165 4.073,1166 4.104,1167 4.279,1168 4.001,1169 7.427,1170 3.983,1171 3.965,1172 3.998,1173 3.976,1174 3.893,1175 4.993,1176 3.88,1177 3.81,1178 3.862,1179 3.75,1180 3.623,1181 4.849,1182 3.645,1183 3.562,1184 3.607,1185 3.607,1186 3.496,1187 4.711,1188 3.45,1189 3.409,1190 3.467,1191 3.292,1192 3.241,1193 4.267,1194 3.236,1195 3.181,1196 3.215,1197 3.094,1198 2.957,1199 4.215,1200 2.979,1201 3.058,1202 3.15,1203 2.87,1204 2.874,1205 3.805,1206 2.858,1207 2.926,1208 3.009,1209 2.794,1210 2.758,1211 3.741,1212 2.749,1213 0.143,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.735,1221 0.04,1222 6.881,1223 0.361,1224 4.329,1225 0.103,1226 3.349,1227 4.18,1228 1.277,1229 11.552,1230 3.302,1231 1.94,1232 1.92,1233 2.048,1234 2.05,1235 1.375,1236 2.043,1237 1.883,1238 1.852,1239 2.021,1240 2.001,1241 1.205,1242 2.02,1243 1.566,1244 1.521,1245 1.755,1246 1.809,1247 0.986,1248 1.79,1249 1.459,1250 1.374,1251 1.698,1252 1.704,1253 0.768,1254 1.71,1255 1.338,1256 1.314,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.274,1262 1.222,1263 1.447,1264 1.422,1265 0.585,1266 1.431,1267 1.18,1268 1.129,1269 1.417,1270 1.387,1271 0.542,1272 1.39,1273 0.97,1274 0.927,1275 1.36,1276 1.239,1277 0.469,1278 1.308,1279 4.174,1281 5.565,1282 3.045,1283 7.133,1284 5.352,1285 8.788,1286 7.413,1287 10.491,1289 6.185,1295 2.75,1297 5.875,1300 2.183,1301 -0.022,1305 32.444,1306 81.847,1307 190.341,1308 243.173,1309 251.928,1310 251.928,1311 251.928,1312 42.726,1313 8.266,1314 60.25,1315 88.49,1316 28,1317 12.898,1318 4.17,1319 3.322,1320 37.556,1321 100,1322 106,1323 0.183,1324 198.124,1325 336.33,1326 475.183,1327 45894,1329 19.466,1330 0.695,1331 0.609,1332 19.819,1333 17.045,1334 13.394,1335 0.419,1336 0.321,1337 9.397,1338 12.452,1339 8.973,1340 7.429,1341 13.802,1342 10.276,1343 13.475,1344 0.275,1345 0.189,1346 14.091,1347 9.276,1348 10.965,1349 0.166,1350 0.098,1351 11.855,1352 6.477,1353 10.007,1354 0.106,1355 0.054,1356 10.914,1357 5.049,1358 7.859,1359 0.065,1360 0.031,1361 8.828,1362 3.751,1363 0.282,1364 88.028,1365 0.216,1366 26.234,1367 0.521,1368 162,1369 436.912,1370 202.708,1371 442.186,1372 617.93,1373 416,1374 196,1375 455.282,1376 237.415,1377 477.168,1378 706.08,1379 447,1380 6.532}
{0 CHEMBL504715,1 1.553,2 14.341,3 0.398,4 0.158,5 155.918,6 7.342,8 4.521,9 4.62,10 4.039,11 3.976,12 5.676,13 3.976,14 5.117,15 5.276,16 4.473,17 4.427,18 6.281,19 4.406,20 5.448,21 5.611,22 4.689,23 4.697,24 6.604,25 4.664,26 5.66,27 5.838,28 4.817,29 4.831,30 6.793,31 4.793,32 5.794,33 5.978,34 4.913,35 4.862,36 7.074,37 4.832,38 5.808,39 5.996,40 4.835,41 4.846,42 7.072,43 4.805,44 5.795,45 6.001,46 4.704,47 4.788,48 7.071,49 4.712,50 5.713,51 5.958,52 4.429,53 4.619,54 6.853,55 4.513,56 0.238,57 1.126,58 17.977,59 8.4,60 37.657,61 10.361,62 0.891,63 1.857,64 36.224,65 14.131,66 120.072,67 18.542,68 1.277,69 2.48,70 51.527,71 19.132,72 182.248,73 24.973,74 1.393,75 2.913,76 64.974,77 23.119,78 225.889,79 30.572,80 2.453,81 3.092,82 77.684,83 24.55,84 341.696,85 32.989,86 2.606,87 3.088,88 79.896,89 24.238,90 362.536,91 32.444,92 2.586,93 2.985,94 79.762,95 24.057,96 381.13,97 33.259,98 2.311,99 2.625,100 76.467,101 21.309,102 325.659,103 30.792,104 202,105 71,106 0.236,107 0.565,108 0.816,109 0.892,110 0.895,111 0.899,112 3.81,113 0.939,114 -1.33,115 -1.42,116 -1.48,119 36.9,120 4,121 6,122 1,123 2,124 1,125 2,127 3,136 4,138 2,154 1,156 1,158 4,167 1,170 1,172 13,174 2,175 12,178 2,180 4,181 1,183 16,184 1,186 1,187 15,190 1,191 2,192 8,195 15,196 1,198 2,199 16,200 1,204 9,207 13,208 2,211 4,212 18,215 5,217 8,220 14,223 1,224 14,225 1,227 7,229 3,232 14,236 6,237 17,240 4,242 2,245 9,249 3,250 11,253 1,255 4,258 4,259 1,262 3,263 9,268 4,271 5,272 1,275 4406,276 28.34,277 28.34,278 28.34,279 28.34,280 28.34,281 26.571,282 37.245,283 16.312,284 28.813,285 23.065,286 23.065,287 23.065,288 23.065,289 23.065,290 20.132,291 44.952,292 7.555,293 23.727,294 4.839,295 2.67,296 1.021,297 0.521,298 0.497,299 0.474,300 4.491,306 1318,307 5.788,310 86.353,311 264.308,314 144.745,315 292.498,318 2.068,319 97.127,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.33,329 0.52,330 100,331 631,332 5.028,333 4.238,334 8.266,335 4.84,336 3.849,337 4.437,338 2.455,339 16.382,340 3.816,341 4.656,342 4.07,343 7.865,344 4.578,345 3.575,346 3.845,347 2.376,348 14.589,349 3.583,350 4.171,351 3.771,352 6.693,353 3.813,354 2.825,355 3.49,356 2.178,357 10.462,358 2.787,359 4.069,360 3.68,361 6.584,362 3.749,363 2.787,364 3.292,365 1.906,366 9.98,367 2.692,368 3.927,369 3.586,370 5.943,371 3.74,372 2.759,373 3.085,374 1.674,375 8.284,376 2.68,377 3.67,378 3.481,379 5.927,380 3.414,381 2.458,382 2.805,383 1.148,384 7.958,385 2.33,386 3.521,387 3.171,388 5.756,389 3.185,390 2.214,391 2.672,392 0.86,393 7.29,394 2.13,395 3.447,396 2.993,397 5.36,398 3.082,399 2.054,400 2.6,401 0.6,402 5.947,403 2.091,404 3.281,405 2.66,406 5.091,407 2.983,408 2.021,409 2.347,410 0.525,411 4.939,412 1.931,413 3.054,414 2.523,415 4.624,416 2.792,417 1.816,418 2.064,419 0.262,420 4.886,421 1.758,422 2.953,423 2.282,424 4.591,425 2.733,426 1.762,427 1.941,428 4.606,429 1.702,430 2.933,431 2.243,432 4.282,433 2.659,434 1.617,435 1.922,436 3.713,437 1.669,438 2.683,439 2.147,440 4.155,441 2.366,442 1.405,443 1.632,445 3.488,446 1.335,447 2.438,448 1.84,449 3.945,450 2.249,451 1.288,452 1.382,454 3.149,455 1.227,456 2.284,457 1.649,458 3.83,459 2.075,460 1.115,461 1.219,463 2.593,464 1.055,465 19.967,466 0.454,467 1.581,468 0.036,469 41.5,470 0.943,471 13.5,472 0.307,473 28,474 0.636,475 63.549,476 1.444,477 52.033,478 0.619,479 45.322,480 1.03,481 7.979,482 0.181,483 12.697,484 0.289,485 0.259,486 0.05,487 0.376,493 0.792,494 1.353,495 0.812,496 1.256,497 0.688,498 1.072,499 0.68,500 1.06,501 0.749,502 1.008,503 0.488,504 0.911,505 0.9,506 1.081,507 0.952,508 1.079,509 0.855,510 1.035,511 0.976,512 1.169,513 0.967,514 1.175,515 0.956,516 1.086,517 1.013,518 1.08,519 0.961,520 1.069,521 0.876,522 1.013,523 1.185,524 1.016,525 1.115,526 1.032,527 1.121,528 1.051,529 1.037,530 1.073,531 1.124,532 1.106,533 1.038,534 1.138,535 1.073,536 0.936,537 1.076,538 0.935,539 1.02,540 0.997,541 11.5,542 0.321,543 7.111,544 5.604,545 5.466,546 3.365,547 2.311,548 1.254,549 0.754,550 0.427,551 28188,552 91241,553 1.931,554 47.6,555 11,556 10,558 1,559 4,560 8,561 6,564 1.826,565 1.725,566 3.646,567 1.422,573 130.444,574 1.553,575 3.723,576 5.372,577 5.871,578 5.895,579 5.919,580 3.156,581 4.988,582 5.419,583 3.946,584 3732.75,585 9.63,586 65917.9,591 536.955,592 1.777,593 5.328,594 0.245,595 0.008,596 0.1,597 0.065,598 0.058,599 0.034,600 0.025,601 0.016,602 0.013,603 0.009,604 0.573,605 0.17,606 0.63,607 2.091,608 251.355,609 -0.081,610 -0.043,611 0.016,612 0.002,613 -0.061,614 0.031,615 0.092,616 0.113,617 0.143,618 0.131,619 0.119,620 0.149,621 -0.04,622 0.06,623 -0.038,624 0.03,625 -0.05,626 0.003,627 -0.087,628 -0.085,629 -0.034,630 -0.095,631 -0.095,632 -0.056,633 0.043,634 -0.064,635 0.025,636 -0.05,637 0.042,638 -0.023,639 -0.073,640 -0.009,641 -0.115,642 -0.037,643 -0.082,644 -0.08,646 -0.093,647 -0.129,648 -0.121,649 -0.012,650 -0.158,651 -0.077,652 -0.024,653 -0.061,654 -0.002,655 -0.063,656 -0.025,657 2.81,658 6.318,659 0.386,660 62.064,661 1.019,662 1.133,663 0.102,664 0.01,665 0.625,666 3.871,667 4.277,668 4.615,669 4.984,670 5.323,671 5.568,672 5.79,673 5.989,674 6.122,675 6.194,676 8.401,677 0.606,678 616.73,679 3.871,680 5.468,681 6.361,682 7.307,683 8.244,684 9.207,685 10.165,686 11.139,687 12.108,688 13.089,689 2.4,696 1,698 1,731 84,733 9,735 47,737 87,738 31,742 8,746 4,747 10,752 4,753 2,754 2,755 5,756 1,758 9,761 12,762 19,763 1,766 9,771 5,773 1,774 1,775 11,781 40,782 13,783 4,784 13,790 2,794 0.25,795 11,811 1,812 3,815 1,816 2,823 1,824 1,826 1,828 1,829 2,831 2,832 4,838 3,839 1,840 1,844 5,848 44,853 3,854 8,855 1,856 3,858 4,860 2,870 13.1,872 3,873 5,874 1,875 2,877 25.5,878 16.3,879 9.625,880 5.094,881 1.768,882 1.198,883 0.869,884 10.133,885 10.709,886 4.043,887 4.564,888 5.03,889 5.541,890 6.073,891 6.466,892 6.844,893 7.203,894 7.496,895 7.667,896 1,897 86,898 16.772,900 7.74,901 8.208,902 30.476,904 25.904,905 2.708,906 119.167,910 423.76,911 115.01,912 34.796,914 286.774,917 115.01,918 710.534,919 34.796,920 46.184,921 39.916,923 310.724,924 51.528,926 411.989,928 423.76,929 149.806,930 286.774,933 353.133,934 346.401,935 11,937 92.002,938 48.756,939 9.047,941 423.76,942 321.571,943 115.01,946 423.76,947 59.778,948 55.231,949 18.011,950 303.56,951 423.76,952 321.571,953 115.01,955 0.593,956 0.351,957 0.2,958 0.123,959 33,960 19,961 0.138,962 12,963 3,964 1.353,965 4.667,966 489.214,967 0.353,968 17,969 240.215,974 33.884,975 13.157,976 6.143,978 321.571,986 146.061,987 860.34,988 56,993 61.321,995 1.253,996 4.335,997 -3.312,999 85.592,1000 95.189,1001 0.243,1002 0.582,1003 0.84,1004 0.918,1005 0.922,1006 0.926,1007 5.38,1008 2.054,1009 6.435,1010 7.29,1011 4.963,1012 5.252,1013 3.795,1014 7.426,1015 4.917,1016 6.616,1017 2.021,1018 8.119,1019 5.947,1020 4.934,1021 5.323,1022 3.347,1023 8.924,1024 4.902,1025 7.981,1026 1.816,1027 9.928,1028 4.939,1029 6.765,1030 7.341,1031 5.032,1032 12.128,1033 6.698,1034 9.382,1035 1.762,1036 11.814,1037 4.886,1038 7.55,1039 8.192,1040 5.28,1041 14.478,1042 7.501,1043 10.822,1044 1.617,1045 13.753,1046 4.606,1047 8.976,1048 9.805,1049 6.514,1050 17.34,1051 8.908,1052 12.29,1053 1.405,1054 15.729,1055 3.713,1056 10.091,1057 10.987,1058 7.069,1059 19.973,1060 10.033,1061 13.781,1062 1.288,1063 17.732,1064 3.488,1065 11.416,1066 12.481,1067 8.112,1068 22.758,1069 11.35,1070 3.849,1071 1.115,1072 19.756,1073 3.149,1074 12.657,1075 13.813,1076 8.821,1077 25.483,1078 12.595,1079 3.575,1080 16.382,1081 21.796,1082 2.593,1083 13.966,1084 15.276,1085 9.776,1086 28.255,1087 13.899,1088 2.825,1089 14.589,1090 23.848,1091 4.437,1092 15.257,1093 16.678,1094 10.564,1095 31.012,1096 15.188,1097 2.787,1098 10.462,1099 25.91,1100 3.845,1101 16.57,1102 18.138,1103 11.477,1104 33.784,1105 16.496,1106 2.759,1107 9.98,1108 27.979,1109 3.49,1110 17.881,1111 19.577,1112 12.307,1113 36.554,1114 17.802,1115 2.458,1116 8.284,1117 30.054,1118 3.292,1119 19.201,1120 21.041,1121 13.201,1122 39.329,1123 19.116,1124 2.214,1125 7.958,1126 32.134,1127 3.085,1128 20.522,1129 22.499,1130 14.054,1131 42.106,1132 20.432,1133 28150,1134 50662,1135 28.956,1136 52.477,1137 73.494,1138 75.965,1139 78.634,1140 71.717,1141 71.754,1142 82.723,1143 27.967,1144 227.09,1145 69.873,1146 6.018,1147 6.171,1148 8.086,1149 5.932,1150 5.849,1151 7.286,1152 4.234,1153 25.384,1154 5.816,1155 33.146,1156 1.564,1157 1.616,1158 1.673,1159 1.526,1160 1.527,1161 1.76,1162 0.595,1163 4.832,1164 1.487,1165 4.129,1166 4.144,1167 4.085,1168 4.055,1169 7.475,1170 4.059,1171 3.883,1172 3.908,1173 3.821,1174 3.775,1175 7.437,1176 3.781,1177 3.809,1178 3.854,1179 3.712,1180 3.646,1181 7.431,1182 3.648,1183 3.617,1184 3.671,1185 3.527,1186 3.422,1187 7.428,1188 3.44,1189 3.57,1190 3.59,1191 3.473,1192 3.341,1193 7.425,1194 3.363,1195 3.512,1196 3.534,1197 3.432,1198 3.302,1199 6.533,1200 3.325,1201 3.449,1202 3.486,1203 3.347,1204 3.256,1205 6.392,1206 3.271,1207 3.365,1208 3.396,1209 3.271,1210 3.154,1211 6.351,1212 3.165,1213 0.107,1214 0.09,1215 0.176,1216 0.103,1217 0.082,1218 5.028,1219 0.094,1220 4.238,1221 0.052,1222 8.266,1223 0.349,1224 4.84,1225 0.081,1226 3.849,1227 4.437,1228 2.455,1229 16.382,1230 3.816,1231 2.034,1232 2.024,1233 2.117,1234 2.126,1235 1.517,1236 2.12,1237 1.783,1238 1.746,1239 1.992,1240 1.963,1241 1.333,1242 1.971,1243 1.743,1244 1.704,1245 1.903,1246 1.905,1247 1.247,1248 1.9,1249 1.577,1250 1.534,1251 1.804,1252 1.788,1253 1.119,1254 1.785,1255 1.543,1256 1.487,1257 1.764,1258 1.752,1259 0.961,1260 1.766,1261 1.437,1262 1.405,1263 1.695,1264 1.703,1265 0.819,1266 1.69,1267 1.417,1268 1.375,1269 1.667,1270 1.668,1271 0.744,1272 1.667,1273 1.356,1274 1.311,1275 1.631,1276 1.602,1277 0.71,1278 1.607,1279 4.554,1281 5.938,1282 2.398,1283 7.528,1284 4.844,1285 9.242,1286 7.034,1287 11.038,1289 7.435,1294 32.37,1295 2.025,1296 2.376,1297 17.037,1299 -3.419,1301 -2.256,1305 50.915,1306 130.444,1307 312.701,1308 451.206,1309 493.18,1310 495.18,1311 497.18,1312 213.246,1313 8.942,1314 198.12,1315 198.12,1316 23,1317 13.562,1318 3.322,1319 3.322,1320 85.105,1321 211,1322 278,1323 0.194,1324 309.76,1325 590.35,1326 747.575,1327 99796,1329 32.56,1330 0.74,1331 0.582,1332 32.56,1333 25.598,1334 20.677,1335 0.44,1336 0.313,1337 14.443,1338 19.573,1339 13.989,1340 11.49,1341 20.677,1342 14.703,1343 19.885,1344 0.28,1345 0.172,1346 19.885,1347 12.221,1348 16.131,1349 0.161,1350 0.094,1351 16.131,1352 9.366,1353 13.951,1354 0.096,1355 0.05,1356 13.951,1357 7.309,1358 12.058,1359 0.059,1360 0.026,1361 12.058,1362 5.307,1363 0.302,1364 132.426,1365 0.186,1366 38.124,1367 0.541,1368 236,1369 818.311,1370 267.673,1371 752.202,1372 975.7,1373 694,1374 289,1375 669.46,1376 318.243,1377 666.635,1378 985.97,1379 623,1380 5}
{0 CHEMBL509032,1 1.669,2 16.976,3 5.342,4 28.539,5 170.073,6 7.491,7 0.391,8 4.496,9 4.621,10 4.163,11 4.017,12 5.479,13 3.968,14 5.087,15 5.281,16 4.512,17 4.43,18 6.136,19 4.363,20 5.368,21 5.577,22 4.642,23 4.636,24 6.374,25 4.539,26 5.512,27 5.748,28 4.531,29 4.679,30 6.503,31 4.55,32 5.508,33 5.768,34 4.534,35 4.659,36 6.41,37 4.527,38 5.461,39 5.721,40 4.567,41 4.606,42 6.38,43 4.475,44 5.352,45 5.6,46 4.534,47 4.505,48 6.362,49 4.394,50 5.262,51 5.504,52 4.401,53 4.44,54 6.273,55 4.314,56 0.076,57 1.264,58 20.736,59 7.815,60 18.574,61 10.317,62 0.513,63 2.034,64 39.117,65 12.934,66 65.567,67 17.58,68 0.659,69 2.533,70 58.987,71 17.554,72 70.348,73 23.955,74 0.886,75 2.662,76 63.492,77 20.784,78 112.54,79 28.418,80 0.721,81 2.642,82 62.501,83 20.106,84 86.361,85 29.046,86 0.73,87 2.492,88 65.052,89 18.696,90 85.627,91 26.67,92 0.879,93 2.241,94 58.969,95 16.151,96 93.724,97 23.233,98 0.792,99 2.048,100 52.656,101 15.458,102 87.343,103 22.089,104 55,105 66,106 0.253,107 0.547,108 0.741,109 0.808,110 0.836,111 0.836,112 3.765,113 1.065,114 -4.41,115 -4.34,116 -4.09,119 36.6,120 2,121 2,124 2,125 6,127 2,142 7,144 6,145 1,147 1,150 1,172 4,174 2,175 7,178 3,180 2,183 5,186 1,187 10,190 1,192 5,195 2,198 2,199 8,202 3,203 1,204 1,207 6,211 2,212 10,215 1,217 3,220 7,223 2,224 6,229 2,232 4,236 3,237 7,240 1,242 6,245 2,249 3,250 2,253 2,255 1,258 5,263 9,266 2,268 2,271 4,275 3848,276 28.021,277 28.021,278 28.021,279 28.021,280 28.021,281 25.553,282 45.937,283 16.129,284 29.213,285 22.581,286 22.581,287 22.581,288 22.581,289 22.581,290 18.7,291 76.143,292 7.52,293 24.496,294 4.689,295 2.745,296 1.469,297 1.022,298 0.842,299 0.842,300 4.464,301 1,305 1,306 1538,307 4.243,311 778.263,318 2.931,319 44.704,322 0.75,323 0.67,324 0.67,325 0.9,326 1,327 0.83,328 1,329 0.83,330 90.833,331 713,332 4.948,333 5.35,334 7.68,335 4.389,336 3.523,337 4.789,338 2.95,339 13.626,340 3.028,341 4.34,342 3.27,343 6.301,344 3.966,345 3.018,346 3.977,347 0.86,348 9.609,349 2.863,350 4.239,351 3.232,352 6.164,353 3.829,354 2.907,355 3.87,356 0.8,357 9.113,358 2.7,359 3.922,360 3.133,361 6.138,362 3.769,363 2.841,364 3.433,365 0.8,366 9.005,367 2.586,368 3.88,369 3.094,370 5.981,371 3.543,372 2.615,373 3.101,374 0.8,375 8.504,376 2.424,377 3.756,378 2.924,379 5.874,380 3.411,381 2.465,382 2.851,383 0.4,384 7.768,385 2.305,386 3.463,387 2.614,388 5.212,389 3.223,390 2.296,391 2.752,392 0.4,393 6.436,394 2.127,395 3.309,396 2.467,397 5.046,398 3.031,399 2.135,400 2.321,402 6.101,403 1.895,404 2.967,405 2.295,406 4.709,407 2.617,408 1.668,409 2.145,411 4.617,412 1.576,413 2.889,414 1.895,415 4.528,416 2.527,417 1.599,418 2.025,420 4.233,421 1.47,422 2.81,423 1.815,424 4.327,425 2.455,426 1.52,427 1.9,428 4.038,429 1.408,430 2.785,431 1.717,432 4.172,433 2.429,434 1.46,435 1.846,436 3.542,437 1.401,438 2.715,439 1.428,440 4.155,441 2.239,442 1.3,443 1.794,445 3.533,446 1.197,447 2.435,448 1.378,449 3.754,450 2.186,451 1.238,452 1.349,454 3.032,455 1.169,456 2.323,457 1.146,458 3.551,459 2,460 1,461 1.316,463 2.419,464 1,465 20.348,466 0.484,467 1.194,468 0.028,469 51.5,470 1.226,471 23,472 0.548,473 28.5,474 0.679,475 45.665,476 1.087,477 47.452,478 0.579,479 44.618,480 1.062,481 9.545,482 0.227,483 10.605,484 0.253,485 0.166,486 0.041,487 0.305,493 0.715,494 1.607,495 0.776,496 1.256,497 0.66,498 1.061,499 0.977,500 1.07,501 0.824,502 0.885,503 0.601,504 0.869,505 0.988,506 1.186,507 1.113,508 1.204,509 0.84,510 1.053,511 1.096,512 1.009,513 0.933,514 0.996,515 1.404,516 1.041,517 0.776,518 1.001,519 0.727,520 0.895,521 0.812,522 0.931,523 0.974,524 1.007,525 0.825,526 0.845,527 0.689,528 0.909,529 1.007,530 0.941,531 0.953,532 0.9,533 0.699,534 0.91,535 0.875,536 1.033,537 1.015,538 0.956,539 0.757,540 1.004,541 10,542 0.347,543 6.222,544 2.75,545 2.471,546 1.722,547 1.336,548 0.8,549 0.542,550 0.401,551 32680,552 80267,553 2.054,554 48.8,556 27,558 1,559 2,561 6,562 4,564 1.808,565 1.902,566 3.996,567 0.173,573 136.829,574 1.669,575 3.612,576 4.889,577 5.336,578 5.516,579 5.516,580 3.529,581 4.916,582 5.362,583 4.222,584 3635.4,585 9.462,586 67680.4,591 521.319,592 1.583,593 5.308,594 0.217,595 0.007,596 0.094,597 0.038,598 0.038,599 0.026,600 0.022,601 0.014,602 0.01,603 0.008,604 0.475,605 0.17,606 0.63,607 0.897,608 244.023,609 0.037,610 -0.294,611 0.136,612 -0.099,613 -0.096,614 -0.016,615 0.038,616 0.104,617 0.086,618 0.124,619 0.203,620 0.103,621 -0.002,622 -0.058,623 -0.059,624 -0.116,625 0.097,626 -0.058,627 -0.025,628 -0.019,629 -0.056,630 -0.029,631 -0.052,632 -0.06,633 0.066,634 -0.036,635 0.1,636 0.034,637 0.034,638 0.057,639 -0.018,640 -0.03,641 0.112,642 0.078,643 0.039,644 0.061,645 0.07,646 0.054,647 0.088,648 0.038,649 0.122,650 0.055,651 0.121,652 -0.039,653 0.016,654 -0.012,655 0.092,656 -0.023,657 4.439,658 5.909,659 0.714,660 58.993,661 1.001,662 1.135,663 3.18,664 10.109,665 0.657,666 3.85,667 4.205,668 4.477,669 4.682,670 4.942,671 5.004,672 5.147,673 5.252,674 5.38,675 5.537,676 9.788,677 0.613,678 614.29,679 3.85,680 5.416,681 6.275,682 7.159,683 8.034,684 8.919,685 9.799,686 10.684,687 11.566,688 12.453,689 8.5,692 2,695 1,697 2,699 2,704 8,705 2,709 8,711 18,724 2,726 1,729 1,730 1,731 82,733 20,734 2,735 46,737 86,738 30,739 16,740 5,741 7,746 5,747 5,748 1,752 2,755 3,758 4,761 16,762 14,766 2,769 1,771 2,781 40,782 10,783 2,784 12,785 2,790 7,794 1,795 3,806 1,812 5,836 2,840 5,842 1,844 4,845 1,848 42,851 1,854 8,855 2,856 1,858 2,859 3,869 1,870 3.7,873 2,875 1,877 22.083,878 15.643,879 9.139,880 4.995,881 3.708,882 1.419,883 0.973,884 9.927,885 12.552,886 4.06,887 4.649,888 5.149,889 5.621,890 6.14,891 6.328,892 6.685,893 7.026,894 7.376,895 7.775,896 1,897 72,898 15.822,900 6.965,901 7.679,902 30.315,904 25.451,905 2.179,906 91.528,910 447.302,911 158.852,912 78.966,913 39.149,914 55.313,916 6.046,917 152.806,918 541.763,919 78.966,920 36.93,921 17.703,922 72.38,923 89.655,924 84.007,925 4.227,926 435.531,927 39.149,928 447.302,929 231.772,930 55.313,931 45.195,933 329.591,934 173.024,937 88.57,938 109.63,939 78.766,941 447.302,942 134.278,943 198.001,945 6.046,946 447.302,947 40.495,948 121.684,949 36.022,950 128.033,951 447.302,952 134.278,953 198.001,955 0.592,956 0.353,957 0.175,958 0.099,959 31,960 15,961 0.105,962 9,964 1,965 5.054,966 424.576,968 30,969 214.477,973 1,974 30.985,975 13.456,976 7.207,978 134.278,979 14.298,980 8.877,984 3.95,986 36.022,987 779.581,988 57,991 -3.522,993 25.817,999 82.116,1000 93.039,1001 0.262,1002 0.568,1003 0.769,1004 0.839,1005 0.868,1006 0.868,1007 5.335,1008 2.135,1009 6.293,1010 6.436,1011 4.89,1012 5.338,1013 3.153,1014 7.146,1015 4.731,1016 6.548,1017 1.668,1018 7.892,1019 6.101,1020 4.635,1021 5.352,1022 0.766,1023 8.31,1024 4.315,1025 7.883,1026 1.599,1027 9.603,1028 4.617,1029 6.564,1030 7.565,1031 5.044,1032 11.371,1033 6.218,1034 9.259,1035 1.52,1036 11.384,1037 4.233,1038 7.124,1039 8.42,1040 0.653,1041 13.41,1042 6.59,1043 10.675,1044 1.46,1045 13.213,1046 4.038,1047 8.566,1048 10.183,1049 7.186,1050 16.09,1051 7.995,1052 12.119,1053 1.3,1054 15.079,1055 3.542,1056 9.485,1057 11.408,1058 0.482,1059 18.478,1060 8.723,1061 13.587,1062 1.238,1063 16.975,1064 3.533,1065 10.76,1066 13.019,1067 9.348,1068 21.081,1069 9.928,1070 3.523,1071 1,1072 18.894,1073 3.032,1074 11.842,1075 14.414,1076 0.337,1077 23.605,1078 10.829,1079 3.018,1080 13.626,1081 20.833,1082 2.419,1083 13.066,1084 15.975,1085 11.511,1086 26.201,1087 11.949,1088 2.907,1089 9.609,1090 22.789,1091 4.789,1092 14.225,1093 17.45,1094 0.229,1095 28.778,1096 12.934,1097 2.841,1098 9.113,1099 24.76,1100 3.977,1101 15.441,1102 18.998,1103 13.675,1104 31.38,1105 14.021,1106 2.615,1107 9.005,1108 26.742,1109 3.87,1110 16.639,1111 20.514,1112 0.153,1113 33.977,1114 15.05,1115 2.465,1116 8.504,1117 28.735,1118 3.433,1119 17.861,1120 22.061,1121 15.838,1122 36.584,1123 16.127,1124 2.296,1125 7.768,1126 30.736,1127 3.101,1128 19.08,1129 23.598,1130 0.1,1131 39.189,1132 17.179,1133 30869,1134 48895,1135 30.224,1136 53.853,1137 69.39,1138 71.442,1139 72.024,1140 69.358,1141 69.2,1142 85.338,1143 14.02,1144 204.493,1145 63.913,1146 5.948,1147 7.35,1148 7.359,1149 5.487,1150 5.523,1151 7.789,1152 5.9,1153 21.688,1154 5.028,1155 24.449,1156 1.508,1157 1.553,1158 1.566,1159 1.508,1160 1.504,1161 1.855,1162 0.305,1163 4.445,1164 1.389,1165 4.117,1166 4.11,1167 4.748,1168 4.123,1169 7.714,1170 4.025,1171 3.998,1172 4.03,1173 4.019,1174 3.883,1175 6.999,1176 3.887,1177 3.877,1178 3.934,1179 3.903,1180 3.712,1181 5.102,1182 3.72,1183 3.811,1184 3.853,1185 3.764,1186 3.684,1187 4.853,1188 3.678,1189 3.694,1190 3.742,1191 3.693,1192 3.599,1193 4.705,1194 3.577,1195 3.662,1196 3.709,1197 3.548,1198 3.496,1199 4.507,1200 3.496,1201 3.267,1202 3.344,1203 3.309,1204 3.078,1205 4.453,1206 3.029,1207 3.233,1208 3.295,1209 3.134,1210 3.009,1211 4.374,1212 3.021,1213 0.108,1214 0.116,1215 0.167,1216 0.095,1217 0.077,1218 4.948,1219 0.104,1220 5.35,1221 0.064,1222 7.68,1223 0.296,1224 4.389,1225 0.066,1226 3.523,1227 4.789,1228 2.95,1229 13.626,1230 3.028,1231 1.997,1232 2.011,1233 2.085,1234 2.098,1235 1.446,1236 2.104,1237 1.936,1238 1.899,1239 2.002,1240 2.064,1241 1.331,1242 2.095,1243 1.829,1244 1.773,1245 1.976,1246 2.006,1247 1.24,1248 2.003,1249 1.726,1250 1.693,1251 1.884,1252 1.912,1253 1.068,1254 1.91,1255 1.666,1256 1.624,1257 1.868,1258 1.835,1259 1.021,1260 1.857,1261 1.64,1262 1.58,1263 1.727,1264 1.788,1265 0.825,1266 1.8,1267 1.209,1268 1.134,1269 1.571,1270 1.519,1271 0.825,1272 1.535,1273 1.173,1274 1.121,1275 1.54,1276 1.466,1277 0.757,1278 1.494,1279 4.533,1281 5.878,1283 7.421,1285 9.048,1287 10.715,1289 7.15,1290 6.41,1295 8.935,1296 6.322,1297 5.735,1299 0.081,1300 7.476,1305 50.264,1306 136.829,1307 296.196,1308 400.874,1309 437.545,1310 452.3,1311 452.3,1312 90.812,1313 8.844,1314 102.93,1315 111.31,1316 30,1317 12.985,1318 4.392,1319 3.585,1320 69.213,1321 249,1322 278,1323 0.133,1324 314.24,1325 546.39,1326 758.505,1327 110020,1328 1.2,1329 29.855,1330 0.711,1331 0.625,1332 30.605,1333 26.25,1334 20.15,1335 0.438,1336 0.355,1337 14.343,1338 18.193,1339 13.738,1340 11.384,1341 21.228,1342 16.329,1343 18.711,1344 0.284,1345 0.213,1346 20.467,1347 14.052,1348 15.981,1349 0.184,1350 0.122,1351 17.772,1352 10.614,1353 12.216,1354 0.114,1355 0.064,1356 13.266,1357 6.831,1358 10.358,1359 0.075,1360 0.036,1361 11.315,1362 4.956,1363 0.216,1364 137.605,1365 0.182,1366 37.898,1367 0.347,1368 224,1369 623.162,1370 300.72,1371 649.639,1372 880.16,1373 604,1374 265,1375 603.65,1376 345.555,1377 655.611,1378 958.46,1379 613,1380 5}
{0 CHEMBL510164,1 1.713,2 7.818,3 3.083,4 9.506,5 85.442,6 8.471,7 0.64,8 3.754,9 3.847,10 3.49,11 3.351,12 4.86,13 3.321,14 4.281,15 4.424,16 3.854,17 3.738,18 5.363,19 3.69,20 4.476,21 4.664,22 3.874,23 3.782,24 5.506,25 3.721,26 4.424,27 4.636,28 3.795,29 3.753,30 5.429,31 3.673,32 4.395,33 4.583,34 3.803,35 3.796,36 5.459,37 3.692,38 4.375,39 4.536,40 3.751,41 3.806,42 5.368,43 3.692,44 4.383,45 4.587,46 3.516,47 3.661,48 5.366,49 3.516,50 4.237,51 4.484,52 3.191,53 3.349,54 5.154,55 3.182,56 0.051,57 0.555,58 6.745,59 3.482,60 6.672,61 3.879,62 0.233,63 0.941,64 14.682,65 5.958,66 16.828,67 6.522,68 0.351,69 1.12,70 20.526,71 6.808,72 26.061,73 8.259,74 0.237,75 1.079,76 17.96,77 6.714,78 23.398,79 8.369,80 0.358,81 1.052,82 21.096,83 7.388,84 31.973,85 8.449,86 0.186,87 1.022,88 19.411,89 7.485,90 13.787,91 8.262,92 0.244,93 0.937,94 18.894,95 7.653,96 21.673,97 9.367,98 0.231,99 0.74,100 19.128,101 6.978,102 24.523,103 8.538,104 2,105 35,106 0.307,107 0.656,108 0.78,109 0.836,110 0.836,111 0.836,112 3.148,113 0.968,114 -3.77,115 -3.74,116 -3.55,119 43.2,125 4,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,172 4,174 2,175 3,180 2,183 5,186 1,187 7,192 2,195 2,198 1,199 5,204 1,207 1,211 1,212 4,215 2,220 3,224 2,232 3,236 1,237 3,240 1,242 1,245 2,250 2,255 1,258 1,263 1,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.611,283 9.15,284 15.895,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 16.024,292 4.385,293 13.381,294 3.496,295 1.544,296 0.854,297 0.541,298 0.541,299 0.541,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 18.621,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 172,332 4.604,333 3.305,334 6.732,335 4.124,336 3.194,337 4.53,338 0.86,339 11.013,340 2.97,341 4.155,342 2.884,343 6.124,344 3.749,345 2.783,346 3.786,347 0.8,348 9.011,349 2.683,350 3.738,351 2.697,352 5.766,353 3.428,354 2.505,355 3.075,357 7.812,358 2.308,359 3.598,360 2.389,361 5.05,362 3.154,363 2.212,364 2.984,366 6.078,367 2.076,368 3.015,369 2.233,370 4.678,371 2.702,372 1.79,373 2.142,375 4.788,376 1.627,377 2.935,378 1.557,379 4.323,380 2.398,381 1.471,382 2.088,384 4.025,385 1.358,386 2.657,387 1.532,388 3.708,389 2.133,390 1.246,391 1.731,393 2.925,394 1.108,395 2.5,396 1.256,397 3.481,398 2.088,399 1.155,400 1.5,402 2.568,403 1.054,404 2.373,405 1.184,406 3.443,407 1.952,408 1,409 1.358,411 2.34,412 0.946,413 2,414 1,415 3.326,416 1.909,417 1,418 1,420 2.136,421 0.888,422 1.929,423 0.595,424 3.247,425 1.404,426 0.528,427 0.728,428 1.449,429 0.455,430 0.998,431 -0.057,432 2.707,433 0.553,434 -0.381,435 -0.492,436 -0.872,437 -0.349,438 0.909,439 -0.295,440 2.541,441 0.487,442 -0.425,443 -0.523,445 -1.123,446 -0.384,447 0.73,448 -0.36,449 2.182,450 0.327,451 -0.624,452 -0.783,454 -1.682,455 -0.588,456 0.5,457 -0.566,458 2,459 0.011,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.7,466 0.486,467 0.448,468 0.02,469 30,470 1.364,471 15,472 0.682,473 15,474 0.682,475 16.104,476 0.732,477 22.9,478 0.619,479 19.116,480 0.869,481 5.747,482 0.261,483 5.063,484 0.23,485 0.031,487 0.318,493 0.925,494 1.234,495 0.701,496 0.909,497 0.921,498 0.849,499 1.169,500 0.999,501 0.922,502 0.867,503 0.724,504 0.844,505 1.109,506 1.192,507 0.892,508 0.942,509 0.982,510 0.916,511 0.829,512 1.029,513 0.765,514 0.789,515 0.836,516 0.861,517 0.757,518 0.895,519 1.229,520 1.013,521 0.706,522 0.92,523 0.859,524 1.164,525 1.389,526 1.383,527 0.784,528 1.274,529 0.687,530 1.051,531 1.079,532 1.217,533 0.737,534 1.27,535 0.958,536 0.907,537 0.921,538 1.08,539 1.108,540 1.091,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 13589,553 2.205,554 40.5,556 13,557 1,559 1,564 1.651,565 2.129,566 2.995,567 -0.265,568 1,569 1,571 1,573 63.392,574 1.713,575 3.666,576 4.355,577 4.669,578 4.669,579 4.669,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,589 1,590 1,591 192.75,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.5,606 1,607 0.405,608 98.781,609 -0.084,610 -0.172,611 0.062,612 0.006,613 -0.106,614 0.018,615 -0.123,616 0.077,617 -0.021,618 0.074,619 0.008,620 0.038,621 -0.075,622 -0.166,623 0.023,624 -0.028,625 -0.056,626 0.003,627 -0.053,628 0.015,629 0.092,630 0.088,631 -0.021,632 0.073,633 0.068,634 0.193,635 -0.109,636 0.057,637 0.112,638 0.041,639 -0.126,640 -0.104,641 -0.315,642 -0.304,643 -0.143,644 -0.317,645 0.122,646 -0.126,647 -0.132,648 -0.235,649 0.045,650 -0.265,651 0.035,652 -0.084,653 0.096,654 -0.079,655 0.025,656 -0.021,657 1.445,658 3.685,659 0.955,660 14.38,661 1.009,662 1.117,663 2.544,664 6.472,665 0.707,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.671,678 313.41,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 8.1,695 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,728 1,731 37,733 16,734 1,735 25,737 40,738 16,739 12,740 2,741 4,746 4,747 5,761 12,762 4,777 1,778 1,781 15,782 5,783 1,784 6,785 1,790 3,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,842 1,848 22,853 1,854 4,856 1,859 1,865 1,870 5.4,872 1,874 1,877 10.333,878 6.633,879 4.778,880 2.201,881 3.064,882 1.427,883 1.003,884 3.681,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.124,900 3.5,901 7.652,902 15.699,904 13.147,905 2.152,906 47.333,910 164.795,911 110.436,912 36.695,914 53.683,916 31.278,917 79.158,918 218.479,919 36.695,921 13.396,922 55.03,923 87.254,924 10.782,925 14.845,926 184.302,928 164.795,929 115.853,930 53.683,931 31.278,933 167.123,934 42.683,935 11,937 15.54,938 64.414,939 33.571,940 31.278,941 164.795,942 90.379,943 110.436,946 164.795,947 55.405,948 58.155,950 87.254,951 164.795,952 90.379,953 110.436,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.05,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,970 1,974 13.915,975 5.82,976 2.698,977 2.047,978 90.379,979 11.107,980 9.399,983 1.658,984 2.645,986 42.683,987 365.61,988 33,999 37.338,1000 41.325,1001 0.329,1002 0.704,1003 0.836,1004 0.896,1005 0.896,1006 0.896,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.121,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.569,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.587,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.892,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.354,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.056,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.285,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.178,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.309,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.293,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.385,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.414,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.491,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.543,1133 4548,1134 7728,1135 17.394,1136 26.142,1137 37.966,1138 37.939,1139 38.154,1140 37.754,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 34.944,1146 5.604,1147 5.305,1148 6.534,1149 5.227,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 4.97,1155 5.832,1156 1.519,1157 1.518,1158 1.526,1159 1.51,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.398,1165 4.083,1166 4.107,1167 4.317,1168 4.048,1169 6.471,1170 4.01,1171 3.854,1172 3.875,1173 3.853,1174 3.811,1175 5.046,1176 3.794,1177 3.72,1178 3.768,1179 3.64,1180 3.518,1181 4.616,1182 3.527,1183 3.249,1184 3.291,1185 3.336,1186 3.113,1187 4.587,1188 3.113,1189 3.111,1190 3.206,1191 2.912,1192 2.941,1193 4.275,1194 2.91,1195 2.961,1196 3.001,1197 2.866,1198 2.766,1199 3.963,1200 2.78,1201 2.915,1202 2.964,1203 2.814,1204 2.745,1205 3.551,1206 2.745,1207 2.65,1208 2.723,1209 2.686,1210 2.51,1211 3.51,1212 2.461,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.124,1225 0.119,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 2.97,1231 1.936,1232 1.912,1233 2.013,1234 2.061,1235 1.218,1236 2.047,1237 1.773,1238 1.74,1239 1.924,1240 1.943,1241 1.081,1242 1.942,1243 1.594,1244 1.548,1245 1.72,1246 1.77,1247 0.856,1248 1.76,1249 1.38,1250 1.374,1251 1.513,1252 1.433,1253 0.825,1254 1.493,1255 1.153,1256 1.064,1257 1.394,1258 1.376,1259 0.621,1260 1.429,1261 0.969,1262 0.944,1263 1.147,1264 1.154,1265 0.25,1266 1.135,1267 0.883,1268 0.838,1269 1.102,1270 1.097,1271 0.222,1272 1.11,1273 0.72,1274 0.652,1275 1.019,1276 1.011,1277 0.132,1278 1.044,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1294 9.685,1295 3.115,1297 5.431,1300 2.246,1305 24.842,1306 63.392,1307 135.63,1308 161.14,1309 172.75,1310 172.75,1311 172.75,1312 26.199,1313 7.182,1314 58.48,1315 86.72,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 153.689,1325 253.83,1326 366.761,1327 11480,1329 14.941,1330 0.679,1331 0.578,1332 15.295,1333 12.714,1334 10.81,1335 0.432,1336 0.323,1337 7.149,1338 9.907,1339 6.955,1340 5.679,1341 11.264,1342 8.064,1343 9.68,1344 0.277,1345 0.173,1346 10.237,1347 6.072,1348 8.347,1349 0.174,1350 0.096,1351 9.036,1352 4.6,1353 7.33,1354 0.111,1355 0.052,1356 8.114,1357 3.459,1358 5.998,1359 0.071,1360 0.027,1361 6.595,1362 2.264,1363 0.348,1364 72.368,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 351.681,1370 153.898,1371 357.698,1372 495.4,1373 338,1374 143,1375 352.517,1376 176.134,1377 369.526,1378 547.87,1379 349,1380 7.387}
{0 CHEMBL511228,1 1.719,2 9.444,3 3.075,4 9.456,5 104.155,6 8.293,7 0.516,8 3.972,9 4.084,10 3.684,11 3.544,12 5.061,13 3.52,14 4.526,15 4.682,16 4.143,17 3.972,18 5.592,19 3.94,20 4.762,21 4.943,22 4.174,23 4.112,24 5.789,25 4.039,26 4.857,27 5.081,28 4.133,29 4.129,30 5.873,31 4.014,32 4.69,33 4.877,34 4.033,35 4.003,36 5.778,37 3.9,38 4.538,39 4.72,40 3.881,41 3.899,42 5.498,43 3.792,44 4.509,45 4.695,46 3.87,47 3.801,48 5.583,49 3.754,50 4.585,51 4.785,52 3.752,53 3.8,54 5.668,55 3.704,56 0.078,57 0.749,58 8.673,59 4.171,60 7.154,61 4.922,62 0.266,63 1.25,64 18.823,65 7.092,66 21.562,67 8.772,68 0.417,69 1.5,70 25.376,71 9.054,72 31.622,73 10.928,74 0.394,75 1.571,76 35.092,77 12.237,78 39.875,79 14.94,80 0.579,81 1.375,82 27.842,83 9.129,84 54.278,85 10.15,86 0.246,87 1.202,88 25.74,89 9.197,90 15.562,91 10.569,92 0.364,93 1.13,94 19.975,95 6.734,96 29.301,97 8.194,98 0.507,99 1.146,100 22.645,101 7.904,102 47.353,103 9.726,104 10,105 47,106 0.292,107 0.693,108 0.823,109 0.852,110 0.852,111 0.852,112 3.341,113 0.937,114 -3.55,115 -3.53,116 -3.36,119 41.3,120 2,121 1,125 2,130 1,142 4,143 1,144 2,146 2,151 1,152 1,158 1,162 1,168 1,172 3,174 1,175 7,178 1,180 4,183 6,186 1,187 7,192 2,195 4,198 1,199 10,202 1,204 2,207 2,211 3,212 4,215 1,217 1,220 4,223 1,224 4,227 1,232 2,236 1,237 4,240 1,242 1,245 3,249 1,250 2,253 2,255 3,258 3,263 4,268 1,271 5,275 1061,276 18.187,277 18.187,278 18.187,279 18.187,280 18.187,281 16.268,282 24.022,283 10.378,284 18.747,285 15.351,286 15.351,287 15.351,288 15.351,289 15.351,290 12.3,291 39.53,292 4.962,293 16.31,294 3.805,295 1.448,296 0.685,297 0.511,298 0.511,299 0.511,300 4.05,303 1,304 1,305 1,306 572,307 2.739,310 109.974,311 185.952,314 93.731,315 103.591,318 1.498,319 24.023,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 255,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.177,338 1.058,339 11.552,340 3.216,341 4.408,342 3.406,343 6.712,344 4.097,345 3.155,346 4.028,347 0.86,348 10.943,349 2.985,350 4.127,351 3.134,352 6.32,353 3.811,354 2.865,355 3.575,356 0.8,357 9.578,358 2.696,359 3.992,360 2.889,361 6.118,362 3.667,363 2.709,364 3.194,366 8.943,367 2.584,368 3.607,369 2.753,370 5.681,371 3.237,372 2.3,373 2.837,375 7.461,376 2.138,377 3.285,378 2.466,379 5.117,380 2.914,381 1.934,382 2.565,384 5.848,385 1.879,386 3.206,387 1.97,388 4.6,389 2.757,390 1.801,391 2.385,393 4.68,394 1.715,395 2.828,396 1.66,397 4.472,398 2.389,399 1.459,400 1.948,402 4.284,403 1.348,404 2.515,405 1.581,406 3.975,407 2.291,408 1.374,409 1.516,411 3.278,412 1.244,413 2.356,414 1.248,415 3.794,416 1.864,417 0.922,418 1.291,420 2.396,421 0.863,422 2.299,423 0.986,424 3.396,425 1.709,426 0.831,427 1.166,428 2.137,429 0.706,430 2.118,431 0.824,432 3.279,433 1.608,434 0.676,435 0.927,436 1.754,437 0.619,438 1.982,439 0.618,440 3.221,441 1.594,442 0.618,443 0.862,445 1.372,446 0.607,447 1.046,448 0.457,449 3,450 0.759,451 -0.204,452 -0.236,454 -0.597,455 -0.194,456 0.965,457 -0.009,458 2.794,459 0.601,460 -0.348,461 -0.415,463 -0.989,464 -0.322,465 13,466 0.481,467 0.844,468 0.031,469 35,470 1.296,471 16.5,472 0.611,473 18.5,474 0.685,475 24.732,476 0.916,477 28.4,478 0.617,479 23.931,480 0.886,481 6.465,482 0.239,483 6.535,484 0.242,485 0.103,486 0.038,487 0.338,493 0.789,494 1.198,495 0.698,496 0.924,497 0.613,498 0.861,499 0.886,500 1.155,501 0.707,502 0.89,503 0.578,504 0.792,505 1.152,506 1.06,507 0.982,508 0.983,509 0.991,510 1.019,511 0.787,512 1.043,513 1.064,514 1.1,515 0.768,516 0.933,517 1.359,518 0.879,519 1.36,520 1.049,521 1.899,522 1.042,523 0.765,524 1.258,525 1.456,526 1.49,527 0.58,528 1.186,529 1.302,530 0.97,531 0.968,532 0.927,533 1.244,534 0.942,535 1.223,536 1.007,537 1.064,538 1.036,539 1.334,540 1.137,541 6.5,542 0.131,543 3.556,544 2.16,545 1.842,546 1.018,547 0.6,548 0.407,549 0.347,550 0.227,551 8825,552 23362,553 2.175,554 41.3,556 8,557 1,559 2,560 2,561 6,564 1.704,565 2.038,566 3.253,567 0.304,568 1,569 1,573 79.053,574 1.719,575 4.075,576 4.839,577 5.012,578 5.012,579 5.012,580 2.696,581 4.236,582 4.729,583 3.397,584 1192.18,585 8.224,586 14688.9,588 1,590 1,591 254.084,592 1.548,593 4.683,594 0.21,595 0.009,596 0.076,597 0.048,598 0.042,599 0.028,600 0.017,601 0.012,602 0.012,603 0.011,604 0.464,605 0.5,606 0.88,607 0.528,608 131.403,609 -0.019,610 -0.057,611 0.071,612 0.018,613 -0.047,614 0.031,615 0.043,616 -0.074,617 0.185,618 0.074,619 0.095,620 0.13,621 -0.141,622 -0.007,623 -0.056,624 -0.026,625 -0.134,626 -0.094,627 0.073,628 -0.077,629 0.09,630 0.009,631 0.144,632 0.105,633 -0.161,634 0.192,635 -0.208,636 0.029,637 -0.332,638 -0.106,639 0.051,640 -0.21,641 -0.211,642 -0.286,643 0.052,644 -0.168,645 -0.123,646 0.064,647 -0.074,648 -0.018,649 -0.065,650 -0.035,651 -0.001,652 -0.059,653 -0.149,654 -0.104,655 -0.034,656 -0.188,657 1.705,658 5.457,659 0.889,660 20.996,661 1.009,662 1.125,663 2.323,664 5.394,665 0.694,666 3.466,667 3.871,668 4.174,669 4.522,670 4.754,671 4.949,672 5.118,673 5.308,674 5.447,675 5.517,676 5.82,677 0.661,678 381.5,679 3.466,680 5.056,681 5.938,682 6.862,683 7.758,684 8.685,685 9.588,686 10.516,687 11.423,688 12.351,689 10.9,696 1,697 2,699 2,704 5,705 2,706 1,708 1,709 7,711 16,718 1,726 1,729 1,731 46,733 17,734 1,735 31,737 50,738 19,739 12,740 3,741 3,742 1,746 5,747 7,752 2,755 1,756 1,758 1,761 13,762 6,763 1,766 1,771 1,775 1,777 1,778 1,781 19,782 6,783 2,784 8,785 1,790 5,794 0.6,795 2,803 1,811 2,812 3,815 1,816 1,840 3,842 1,844 2,848 27,854 3,855 1,856 1,859 1,860 1,863 1,870 4.3,873 1,875 1,877 13.25,878 9.017,879 5.583,880 2.747,881 2.905,882 1.356,883 1.021,884 3.933,885 11.061,886 3.714,887 4.344,888 4.931,889 5.549,890 5.959,891 6.374,892 6.777,893 7.174,894 7.53,895 7.811,896 1,897 45,898 10.002,900 4.43,901 7.664,902 19.268,904 16.603,905 2.164,906 58.417,909 1,910 200.109,911 128.376,912 71.247,914 36.145,916 31.278,917 97.098,918 236.254,919 71.247,920 17.65,921 27.243,922 46.952,923 63.298,924 47.987,925 13.13,926 219.615,928 200.109,929 168.345,930 36.145,931 31.278,933 129.482,934 106.771,937 70.695,938 64.201,939 33.449,940 31.278,941 200.109,942 107.391,943 128.376,946 200.109,947 63.773,948 67.727,949 34.674,950 69.593,951 200.109,952 107.391,953 128.376,955 0.602,956 0.349,957 0.198,958 0.103,959 27,960 11,961 0.04,962 2,963 2,964 1.167,965 3.832,966 254.038,967 0.167,968 24,969 126.382,970 1,974 17.05,975 6.229,976 2.998,978 90.728,979 9.772,980 9.08,981 2.847,983 1.443,984 6.067,986 34.674,987 435.876,988 40,993 12.457,997 -0.038,999 46.425,1000 51.737,1001 0.311,1002 0.738,1003 0.876,1004 0.907,1005 0.907,1006 0.907,1007 5.004,1008 1.459,1009 5.979,1010 4.68,1011 4.554,1012 5.03,1013 1.737,1014 6.874,1015 4.441,1016 6.238,1017 1.374,1018 7.59,1019 4.284,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.229,1025 7.577,1026 0.922,1027 9.305,1028 3.278,1029 6.275,1030 7.22,1031 1.622,1032 11.093,1033 6.064,1034 8.947,1035 0.831,1036 11.079,1037 2.396,1038 6.878,1039 7.916,1040 0.268,1041 13.015,1042 6.633,1043 10.347,1044 0.676,1045 12.889,1046 2.137,1047 8.3,1048 9.692,1049 1.587,1050 15.634,1051 7.999,1052 11.767,1053 0.618,1054 14.722,1055 1.754,1056 9.231,1057 10.752,1058 0.188,1059 17.843,1060 8.889,1061 13.202,1062 -0.204,1063 16.571,1064 1.372,1065 10.485,1066 12.318,1067 1.592,1068 20.324,1069 10.095,1070 3.349,1071 -0.348,1072 18.432,1073 -0.597,1074 11.554,1075 13.554,1076 0.125,1077 22.65,1078 11.122,1079 3.155,1080 11.552,1081 20.301,1082 -0.989,1083 12.752,1084 15.031,1085 1.624,1086 25.086,1087 12.275,1088 2.865,1089 10.943,1090 22.177,1091 4.177,1092 13.881,1093 16.353,1094 0.082,1095 27.464,1096 13.362,1097 2.709,1098 9.578,1099 24.058,1100 4.028,1101 15.061,1102 17.791,1103 1.676,1104 29.887,1105 14.5,1106 2.3,1107 8.943,1108 25.944,1109 3.575,1110 16.218,1111 19.157,1112 0.054,1113 32.289,1114 15.615,1115 1.934,1116 7.461,1117 27.833,1118 3.194,1119 17.397,1120 20.579,1121 1.742,1122 34.71,1123 16.752,1124 1.801,1125 5.848,1126 29.726,1127 2.837,1128 18.568,1129 21.967,1130 0.035,1131 37.125,1132 17.882,1133 8140,1134 13405,1135 20.978,1136 31.915,1137 49.028,1138 49.297,1139 48.293,1140 47.915,1141 47.985,1142 60.941,1143 5.437,1144 148.453,1145 45.199,1146 5.517,1147 5.726,1148 6.478,1149 5.451,1150 5.349,1151 7.177,1152 2.117,1153 18.895,1154 5.216,1155 11.478,1156 1.582,1157 1.59,1158 1.558,1159 1.546,1160 1.548,1161 1.966,1162 0.175,1163 4.789,1164 1.458,1165 4.061,1166 4.092,1167 4.277,1168 3.98,1169 7.429,1170 3.966,1171 3.945,1172 3.981,1173 3.96,1174 3.866,1175 5.047,1176 3.849,1177 3.783,1178 3.838,1179 3.72,1180 3.591,1181 4.859,1182 3.614,1183 3.548,1184 3.596,1185 3.584,1186 3.461,1187 4.716,1188 3.421,1189 3.4,1190 3.459,1191 3.279,1192 3.237,1193 4.288,1194 3.23,1195 3.133,1196 3.164,1197 3.076,1198 2.843,1199 4.254,1200 2.893,1201 2.933,1202 3.009,1203 2.821,1204 2.752,1205 3.803,1206 2.759,1207 2.874,1208 2.995,1209 2.756,1210 2.664,1211 3.515,1212 2.636,1213 0.147,1214 0.12,1215 0.222,1216 0.139,1217 0.108,1218 4.567,1219 0.135,1220 3.726,1221 0.034,1222 6.881,1223 0.373,1224 4.307,1225 0.104,1226 3.349,1227 4.177,1228 1.058,1229 11.552,1230 3.216,1231 1.933,1232 1.913,1233 2.016,1234 2.048,1235 1.262,1236 2.039,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.198,1242 1.99,1243 1.541,1244 1.499,1245 1.727,1246 1.712,1247 0.967,1248 1.72,1249 1.4,1250 1.345,1251 1.599,1252 1.686,1253 0.691,1254 1.656,1255 1.335,1256 1.303,1257 1.509,1258 1.495,1259 0.631,1260 1.512,1261 1.184,1262 1.134,1263 1.417,1264 1.403,1265 0.469,1266 1.394,1267 1.151,1268 1.079,1269 1.307,1270 1.367,1271 0.447,1272 1.361,1273 0.934,1274 0.826,1275 1.204,1276 1.239,1277 0.266,1278 1.308,1279 4.143,1281 5.525,1282 3.045,1283 7.093,1284 5.283,1285 8.749,1286 7.31,1287 10.455,1289 4.042,1295 2,1296 3.051,1297 5.831,1300 2.137,1301 -0.272,1305 30.411,1306 79.053,1307 187.455,1308 222.574,1309 230.574,1310 230.574,1311 230.574,1312 39.118,1313 8.157,1314 83.14,1315 111.38,1316 28,1317 12.858,1318 4.17,1319 3.322,1320 35.64,1321 93,1322 86,1323 0.187,1324 185.734,1325 312.73,1326 444.95,1327 40035,1329 18.596,1330 0.689,1331 0.589,1332 18.949,1333 15.891,1334 13,1335 0.419,1336 0.312,1337 8.804,1338 12.033,1339 8.479,1340 6.988,1341 13.408,1342 9.685,1343 12.842,1344 0.273,1345 0.179,1346 13.457,1347 8.407,1348 10.629,1349 0.166,1350 0.093,1351 11.519,1352 5.923,1353 9.756,1354 0.107,1355 0.05,1356 10.664,1357 4.593,1358 7.454,1359 0.065,1360 0.029,1361 8.423,1362 3.327,1363 0.287,1364 85.848,1365 0.218,1366 25.401,1367 0.536,1368 156,1369 439.933,1370 198.845,1371 444.328,1372 622.11,1373 418,1374 189,1375 461.595,1376 231.998,1377 480.074,1378 713.07,1379 452,1380 6.038}
{0 CHEMBL511431,1 1.527,2 10.051,3 0.496,4 0.246,5 135.98,6 7.55,8 4.387,9 4.477,10 3.944,11 3.87,12 5.523,13 3.873,14 5.01,15 5.157,16 4.416,17 4.355,18 6.16,19 4.344,20 5.348,21 5.501,22 4.634,23 4.633,24 6.505,25 4.603,26 5.556,27 5.722,28 4.767,29 4.752,30 6.706,31 4.724,32 5.684,33 5.853,34 4.853,35 4.778,36 6.949,37 4.765,38 5.686,39 5.848,40 4.868,41 4.784,42 7.013,43 4.776,44 5.723,45 5.889,46 4.79,47 4.776,48 7.128,49 4.734,50 5.724,51 5.954,52 4.51,53 4.631,54 6.944,55 4.542,56 0.204,57 0.97,58 14.753,59 7.432,60 31.495,61 8.809,62 0.83,63 1.678,64 31.38,65 12.83,66 108.656,67 16.169,68 1.145,69 2.271,70 44.794,71 17.955,72 154.274,73 22.533,74 1.265,75 2.653,76 56.809,77 21.517,78 196.43,79 27.257,80 2.275,81 2.812,82 68.349,83 22.565,84 296.503,85 28.492,86 2.274,87 2.836,88 67.879,89 22.299,90 319.922,91 27.973,92 2.679,93 2.888,94 71.043,95 23.263,96 404.861,97 29.674,98 2.456,99 2.728,100 76.799,101 22.429,102 362.351,103 30.962,104 135,105 68,106 0.239,107 0.577,108 0.837,109 0.893,110 0.893,111 0.893,112 3.694,113 0.921,114 -1.85,115 -1.91,116 -1.92,119 38.9,120 3,121 5,122 1,123 2,124 1,125 2,127 3,136 4,137 1,138 1,156 2,158 3,167 1,170 1,172 12,174 2,175 13,176 1,178 1,180 1,183 15,184 1,186 2,187 17,190 2,192 4,195 15,196 1,198 2,199 18,204 4,207 13,208 1,211 4,212 20,215 3,217 3,220 13,221 1,223 5,224 16,225 2,227 2,229 4,232 12,233 1,236 9,237 17,240 3,242 3,243 1,245 9,246 2,249 2,250 12,251 1,253 2,254 1,255 3,258 2,259 1,262 4,263 11,264 2,266 1,268 1,271 4,272 2,275 2757,276 25.304,277 25.304,278 25.304,279 25.304,280 25.304,281 23.963,282 34.692,283 14.104,284 25.74,285 21.076,286 21.076,287 21.076,288 21.076,289 21.076,290 18.648,291 44.739,292 6.467,293 21.662,294 4.643,295 2.484,296 0.82,297 0.459,298 0.459,299 0.459,300 4.384,306 838,307 4.743,310 148.205,311 201.127,314 111.268,315 222.996,318 1.545,319 90.293,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 88.5,331 392,332 5.022,333 4.258,334 8.266,335 4.843,336 3.85,337 4.409,338 2.455,339 16.383,340 3.827,341 4.655,342 4.071,343 7.865,344 4.578,345 3.576,346 3.841,347 2.376,348 14.589,349 3.583,350 4.219,351 3.797,352 6.7,353 3.971,354 3.011,355 3.51,356 2.178,357 10.532,358 2.892,359 4.029,360 3.681,361 6.597,362 3.8,363 2.798,364 3.185,365 1.674,366 10.078,367 2.802,368 4.007,369 3.626,370 6.403,371 3.757,372 2.771,373 3.165,374 1.148,375 9.658,376 2.72,377 3.705,378 3.483,379 5.925,380 3.41,381 2.45,382 2.898,383 0.86,384 7.954,385 2.334,386 3.567,387 3.057,388 5.756,389 3.185,390 2.214,391 2.731,392 0.823,393 7.294,394 2.132,395 3.283,396 2.872,397 5.36,398 2.997,399 2.029,400 2.346,401 0.525,402 5.968,403 1.943,404 3.139,405 2.654,406 5.094,407 2.881,408 1.9,409 2.16,411 5.145,412 1.839,413 2.955,414 2.589,415 4.881,416 2.761,417 1.781,418 1.944,420 4.939,421 1.726,422 2.925,423 2.304,424 4.624,425 2.663,426 1.617,427 1.916,428 4.603,429 1.681,430 2.584,431 2.011,432 4.282,433 2.293,434 1.339,435 1.489,436 3.488,437 1.265,438 2.445,439 1.769,440 4.125,441 2.23,442 1.241,443 1.374,445 3.035,446 1.22,447 2.148,448 1.693,449 3.843,450 1.955,451 1.041,452 1.081,454 2.419,455 0.94,456 2.039,457 1.369,458 3.801,459 1.717,460 0.732,461 0.813,463 1.744,464 0.711,465 17.733,466 0.455,467 1.489,468 0.038,469 37.5,470 0.962,471 12,472 0.308,473 25.5,474 0.654,475 55.062,476 1.412,477 45.267,478 0.629,479 40.282,480 1.033,481 6.978,482 0.179,483 11.377,484 0.292,485 0.244,486 0.056,487 0.417,493 0.743,494 1.326,495 0.758,496 1.222,497 0.63,498 1.033,499 0.698,500 0.996,501 0.727,502 0.929,503 0.468,504 0.846,505 0.828,506 1.084,507 0.922,508 1.087,509 0.763,510 1.04,511 0.948,512 1.177,513 0.932,514 1.176,515 0.966,516 1.074,517 1.128,518 1.032,519 0.986,520 1.009,521 1.051,522 0.968,523 1.163,524 1.05,525 1.026,526 1.036,527 1.133,528 0.997,529 1.065,530 1.148,531 1.166,532 1.177,533 1.07,534 1.199,535 1.054,536 1.001,537 1.077,538 1.001,539 1.049,540 1.039,541 10.5,542 0.305,543 7.111,544 5.354,545 5.191,546 3.344,547 2.535,548 1.499,549 0.852,550 0.447,551 17999,552 55943,553 1.992,554 45.8,555 9,556 10,557 1,559 2,560 5,561 6,564 1.807,565 1.773,566 3.242,567 0.187,573 109.944,574 1.527,575 3.686,576 5.35,577 5.711,578 5.711,579 5.711,580 2.729,581 4.753,582 5.254,583 3.435,584 2545.56,585 9.346,586 38579.4,591 444.235,592 1.78,593 5.155,594 0.244,595 0.009,596 0.105,597 0.065,598 0.057,599 0.035,600 0.026,601 0.018,602 0.014,603 0.01,604 0.583,605 0.33,606 0.63,607 1.155,608 208.002,609 -0.062,610 -0.07,611 0.034,612 -0.009,613 -0.042,614 0.031,615 0.068,616 0.16,617 0.146,618 0.179,619 0.114,620 0.187,621 -0.012,622 0.038,623 -0.033,624 0.006,625 -0.016,626 -0.015,627 -0.071,628 -0.113,629 -0.011,630 -0.112,631 -0.096,632 -0.057,633 -0.029,634 -0.027,635 0.001,636 -0.005,637 -0.059,638 0.003,639 -0.047,640 -0.026,641 -0.041,642 -0.035,643 -0.042,644 -0.035,645 0.046,646 -0.141,647 -0.18,648 -0.18,649 0.05,650 -0.236,651 -0.037,652 -0.083,653 -0.051,654 -0.068,655 -0.022,656 -0.064,657 2.719,658 6.97,659 0.564,660 38.13,661 1.021,662 1.128,663 0.622,664 0.386,665 0.635,666 3.784,667 4.234,668 4.625,669 5.017,670 5.352,671 5.635,672 5.875,673 6.096,674 6.256,675 6.366,676 6.222,677 0.619,678 543.62,679 3.784,680 5.407,681 6.33,682 7.295,683 8.251,684 9.227,685 10.197,686 11.179,687 12.155,688 13.141,689 1.4,692 1,731 72,733 8,735 43,737 76,738 28,742 8,746 5,747 11,752 3,753 2,754 2,755 8,756 1,758 8,761 11,762 17,763 1,766 8,771 5,773 1,775 10,781 33,782 11,783 2,784 11,790 1,794 0.4,795 10,808 1,811 2,812 3,815 1,816 2,824 2,828 1,829 2,831 1,832 4,836 1,838 2,839 1,840 2,844 4,848 39,853 2,854 7,856 3,858 4,859 1,860 2,870 13.9,872 2,873 5,874 1,875 2,877 22,878 14.1,879 8.319,880 4.465,881 1.41,882 1.157,883 0.894,884 6.995,885 10.416,886 3.951,887 4.5,888 5.024,889 5.529,890 6.033,891 6.438,892 6.798,893 7.115,894 7.381,895 7.588,896 0.857,897 82,898 14.977,900 7.2,901 8.179,902 27.267,904 24.146,905 2.679,906 104.5,910 364.904,911 104.079,912 3.124,914 244.091,917 104.079,918 608.995,919 3.124,920 37.359,921 28.418,923 247.651,924 37.866,925 11.771,926 353.133,928 364.904,929 107.203,930 244.091,933 294.278,934 303.718,935 11,937 48.971,938 58.232,941 364.904,942 247.215,943 104.079,946 364.904,947 57.673,948 49.53,950 244.091,951 364.904,952 247.215,953 104.079,955 0.606,956 0.374,957 0.216,958 0.127,959 36,960 19,961 0.079,962 6,963 3,964 1.273,965 4.177,966 453.886,967 0.273,968 22,969 206.131,974 27.913,975 9.774,976 4.069,978 247.215,986 85.367,987 716.198,988 51,993 64.46,995 1.354,997 -3.445,999 73.512,1000 81.236,1001 0.247,1002 0.597,1003 0.867,1004 0.926,1005 0.926,1006 0.926,1007 5.318,1008 2.029,1009 6.418,1010 7.294,1011 4.92,1012 5.187,1013 3.655,1014 7.44,1015 4.879,1016 6.564,1017 1.9,1018 8.123,1019 5.968,1020 4.934,1021 5.293,1022 3.214,1023 8.953,1024 4.904,1025 7.942,1026 1.781,1027 9.945,1028 5.145,1029 6.763,1030 7.294,1031 4.916,1032 12.159,1033 6.703,1034 9.354,1035 1.617,1036 11.839,1037 4.939,1038 7.576,1039 8.175,1040 5.177,1041 14.501,1042 7.532,1043 10.803,1044 1.339,1045 13.782,1046 4.603,1047 8.999,1048 9.767,1049 6.429,1050 17.359,1051 8.939,1052 12.279,1053 1.241,1054 15.758,1055 3.488,1056 10.123,1057 10.964,1058 6.999,1059 19.986,1060 10.074,1061 13.776,1062 1.041,1063 17.76,1064 3.035,1065 11.445,1066 12.441,1067 8.055,1068 22.768,1069 11.389,1070 3.85,1071 0.732,1072 19.782,1073 2.419,1074 12.687,1075 13.777,1076 8.775,1077 25.49,1078 12.635,1079 3.576,1080 16.383,1081 21.819,1082 1.744,1083 13.993,1084 15.227,1085 9.738,1086 28.259,1087 13.938,1088 3.011,1089 14.589,1090 23.868,1091 4.409,1092 15.281,1093 16.628,1094 10.534,1095 31.015,1096 15.227,1097 2.798,1098 10.532,1099 25.927,1100 3.841,1101 16.591,1102 18.077,1103 11.453,1104 33.786,1105 16.534,1106 2.771,1107 10.078,1108 27.994,1109 3.51,1110 17.899,1111 19.51,1112 12.288,1113 36.555,1114 17.841,1115 2.45,1116 9.658,1117 30.066,1118 3.185,1119 19.217,1120 20.966,1121 13.187,1122 39.331,1123 19.155,1124 2.214,1125 7.954,1126 32.144,1127 3.165,1128 20.536,1129 22.417,1130 14.043,1131 42.107,1132 20.471,1133 17562,1134 31032,1135 26.876,1136 45.733,1137 68.839,1138 71.918,1139 73.361,1140 67.292,1141 67.261,1142 76.829,1143 24.079,1144 221.774,1145 65.695,1146 6.022,1147 6.196,1148 8.027,1149 5.938,1150 5.85,1151 7.174,1152 4.234,1153 25.386,1154 5.827,1155 27.04,1156 1.601,1157 1.673,1158 1.706,1159 1.565,1160 1.564,1161 1.787,1162 0.56,1163 5.158,1164 1.528,1165 4.131,1166 4.146,1167 4.088,1168 4.053,1169 7.474,1170 4.058,1171 3.917,1172 3.956,1173 3.846,1174 3.792,1175 7.438,1176 3.799,1177 3.823,1178 3.853,1179 3.739,1180 3.684,1181 7.431,1182 3.689,1183 3.579,1184 3.593,1185 3.503,1186 3.369,1187 7.428,1188 3.39,1189 3.513,1190 3.533,1191 3.445,1192 3.29,1193 7.424,1194 3.317,1195 3.434,1196 3.451,1197 3.351,1198 3.26,1199 6.459,1200 3.278,1201 3.31,1202 3.368,1203 3.18,1204 3.136,1205 6.351,1206 3.126,1207 3.273,1208 3.295,1209 3.159,1210 2.99,1211 4.712,1212 3.026,1213 0.117,1214 0.099,1215 0.192,1216 0.113,1217 0.09,1218 5.022,1219 0.103,1220 4.258,1221 0.057,1222 8.266,1223 0.381,1224 4.843,1225 0.089,1226 3.85,1227 4.409,1228 2.455,1229 16.383,1230 3.827,1231 2.031,1232 2.021,1233 2.113,1234 2.125,1235 1.511,1236 2.119,1237 1.767,1238 1.743,1239 1.909,1240 1.918,1241 1.248,1242 1.911,1243 1.614,1244 1.572,1245 1.856,1246 1.81,1247 1.213,1248 1.81,1249 1.58,1250 1.534,1251 1.804,1252 1.758,1253 1.119,1254 1.775,1255 1.536,1256 1.477,1257 1.736,1258 1.746,1259 1.01,1260 1.757,1261 1.43,1262 1.398,1263 1.695,1264 1.702,1265 0.804,1266 1.69,1267 1.385,1268 1.35,1269 1.647,1270 1.646,1271 0.735,1272 1.644,1273 1.264,1274 1.234,1275 1.499,1276 1.488,1277 0.666,1278 1.483,1279 4.466,1281 5.883,1282 3.045,1283 7.507,1284 5.416,1285 9.246,1286 7.526,1287 11.057,1289 6.134,1294 21.189,1295 2.024,1297 16.998,1299 -3.383,1300 1.502,1301 -2.331,1305 44.598,1306 109.944,1307 265.418,1308 385.215,1309 411.215,1310 411.215,1311 411.215,1312 157.075,1313 9.006,1314 156.74,1315 156.74,1316 28,1317 13.61,1318 3.17,1319 3.17,1320 60.649,1321 141,1322 160,1323 0.212,1324 265.727,1325 508.94,1326 640.133,1327 100887,1329 28.438,1330 0.729,1331 0.575,1332 28.438,1333 22.444,1334 18.355,1335 0.427,1336 0.307,1337 12.964,1338 17.377,1339 12.59,1340 10.254,1341 18.355,1342 13.199,1343 18.095,1344 0.266,1345 0.168,1346 18.095,1347 11.443,1348 15.701,1349 0.155,1350 0.092,1351 15.701,1352 9.295,1353 13.982,1354 0.093,1355 0.05,1356 13.982,1357 7.457,1358 11.74,1359 0.056,1360 0.025,1361 11.74,1362 5.248,1363 0.314,1364 117.587,1365 0.193,1366 33.38,1367 0.65,1368 222,1369 745.829,1370 250.432,1371 683.509,1372 895.99,1373 632,1374 280,1375 624.514,1376 307.748,1377 621.409,1378 931.19,1379 582,1380 6.979}
{0 CHEMBL511807,1 1.663,2 10.16,3 3.593,4 12.906,5 92.959,6 8.229,7 0.667,8 3.82,9 3.925,10 3.454,11 3.392,12 5.081,13 3.391,14 4.281,15 4.427,16 3.796,17 3.739,18 5.624,19 3.725,20 4.51,21 4.688,22 3.834,23 3.85,24 5.752,25 3.813,26 4.569,27 4.773,28 3.725,29 3.805,30 5.73,31 3.747,32 4.558,33 4.781,34 3.727,35 3.776,36 5.754,37 3.707,38 4.511,39 4.725,40 3.686,41 3.716,42 5.735,43 3.663,44 4.45,45 4.651,46 3.601,47 3.63,48 5.726,49 3.593,50 4.346,51 4.563,52 3.533,53 3.534,54 5.671,55 3.484,56 0.086,57 0.648,58 6.711,59 3.568,60 11.797,61 4.066,62 0.241,63 1.013,64 12.179,65 5.606,66 37.616,67 6.794,68 0.311,69 1.253,70 16.926,71 7.089,72 39.01,73 8.476,74 0.378,75 1.23,76 19.689,77 7.497,78 53.164,79 9.255,80 0.475,81 1.217,82 20.684,83 7.939,84 65.532,85 10.377,86 0.436,87 1.085,88 19.726,89 7.282,90 58.639,91 9.31,92 0.431,93 1.04,94 18.349,95 6.474,96 63.196,97 7.567,98 0.466,99 0.927,100 17.204,101 6.217,102 61.059,103 7.908,104 18,105 37,106 0.29,107 0.655,108 0.797,109 0.873,110 0.873,111 0.873,112 3.267,113 0.853,114 -2.72,115 -2.74,116 -2.66,119 46.3,120 1,125 1,142 7,143 3,144 2,145 2,146 2,158 1,167 1,170 1,172 7,173 1,175 6,178 1,180 3,183 6,184 2,187 6,190 1,192 6,195 6,200 1,204 1,207 4,208 1,211 2,212 4,215 1,217 3,218 1,220 4,221 2,224 6,227 1,228 1,229 4,232 5,237 1,238 1,245 7,246 2,249 1,250 2,253 2,255 2,258 10,259 3,263 3,268 3,271 6,275 947,276 16.654,277 16.654,278 16.654,279 16.654,280 16.654,281 14.297,282 14.211,283 9.903,284 16.906,285 13.333,286 13.333,287 13.333,288 13.333,289 13.333,290 9.814,291 18.358,292 4.737,293 13.752,294 3.694,295 1.605,296 0.79,297 0.36,298 0.36,299 0.36,300 3.947,303 1,304 1,305 1,306 538,307 2.915,311 254.247,318 1.366,319 32.131,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 55,331 254,332 4.369,333 3.584,334 6.258,335 3.979,336 2.996,337 4.043,338 1.437,339 9.499,340 2.941,341 4.228,342 3.104,343 6.059,344 3.829,345 2.852,346 3.878,347 0.657,348 8.708,349 2.784,350 3.967,351 2.936,352 5.86,353 3.595,354 2.599,355 3.474,357 8.039,358 2.581,359 3.616,360 2.687,361 5.244,362 3.248,363 2.282,364 2.941,366 6.567,367 2.196,368 3.451,369 2.518,370 4.954,371 3.028,372 2.094,373 2.769,375 5.794,376 1.932,377 3.204,378 1.946,379 4.411,380 2.719,381 1.762,382 2.492,384 4.376,385 1.682,386 2.849,387 1.681,388 4.169,389 2.457,390 1.472,391 1.98,393 3.759,394 1.448,395 2.711,396 1.648,397 3.728,398 2.189,399 1.206,400 1.735,402 2.832,403 1.171,404 2.518,405 1.092,406 3.485,407 1.984,408 1,409 1.5,411 2.492,412 0.983,413 2.5,414 1,415 3.267,416 1.964,417 1,418 1.483,420 2.136,421 0.956,422 1.964,423 0.976,424 3.247,425 1.685,426 0.747,427 0.882,428 1.756,429 0.697,430 1.262,431 0.44,432 2.649,433 0.95,438 0.922,439 0.4,440 2.528,441 0.489,442 -0.487,443 -0.621,445 -1.242,446 -0.469,447 0.804,448 0.009,449 2.359,450 0.435,451 -0.514,452 -0.658,454 -1.257,455 -0.476,456 0.773,457 -0.381,458 2.171,459 0.332,460 -0.624,461 -0.804,463 -1.759,464 -0.593,465 11.652,466 0.466,467 0.647,468 0.026,469 35.75,470 1.43,471 20,472 0.8,473 15.75,474 0.63,475 16.684,476 0.667,477 26.148,478 0.638,479 26.655,480 1.066,481 7.412,482 0.296,483 4.613,484 0.185,485 0.125,487 0.343,491 1,493 0.703,494 1.028,495 0.707,496 0.943,497 0.655,498 0.852,499 0.605,500 1.068,501 0.753,502 0.98,503 0.475,504 0.913,505 0.923,506 1.093,507 1.033,508 1.086,509 0.835,510 1.078,511 0.976,512 1.018,513 1.105,514 1.07,515 0.908,516 1.101,517 0.69,518 0.871,519 0.899,520 1.004,521 0.758,522 1.009,523 0.849,524 0.854,525 0.913,526 0.933,527 0.872,528 0.941,529 1.32,530 0.914,531 1.161,532 0.953,533 1.303,534 0.994,535 0.843,536 0.627,537 0.875,538 0.818,539 0.919,540 0.854,541 5.5,542 0.136,543 2.667,544 1.313,545 1.338,546 0.944,547 0.327,548 0.431,549 0.348,550 0.146,551 6929,552 23085,553 2.038,554 39,555 3,556 9,558 2,559 2,564 1.683,565 1.899,566 3.305,567 0.273,569 1,571 1,573 68.194,574 1.663,575 3.753,576 4.567,577 4.998,578 4.998,579 4.998,580 2.663,581 4.103,582 4.617,583 3.448,584 1034.37,585 7.997,586 12683,587 1,588 1,590 1,591 219.66,592 1.44,593 4.569,594 0.204,595 0.009,596 0.072,597 0.035,598 0.042,599 0.03,600 0.011,601 0.015,602 0.013,603 0.007,604 0.438,605 0.33,606 1,607 0.795,608 120.605,609 -0.076,610 -0.052,611 0.005,612 0.033,613 -0.09,614 0.039,615 0.072,616 -0.095,617 0.046,618 -0.017,619 0.143,620 0.006,621 -0.104,622 -0.066,623 -0.156,624 -0.128,625 -0.063,626 -0.145,627 -0.138,628 -0.103,629 -0.164,630 -0.116,631 -0.112,632 -0.136,633 0.138,634 0.066,635 0.084,636 -0.02,637 0.047,638 0.005,639 0.012,640 -0.023,641 0.069,642 0.032,643 -0.013,644 0.056,645 -0.233,646 0.003,647 -0.168,648 -0.006,649 -0.201,650 -0.049,651 0.123,652 0.214,653 0.138,654 0.152,655 0.07,656 0.144,657 2.683,658 5.183,659 0.72,660 21.085,661 1.016,662 1.126,663 1.493,664 2.229,665 0.688,666 3.332,667 3.638,668 3.85,669 4.06,670 4.304,671 4.29,672 4.357,673 4.431,674 4.5,675 4.533,676 6.04,677 0.672,678 337.38,679 3.332,680 4.86,681 5.687,682 6.547,683 7.393,684 8.256,685 9.109,686 9.973,687 10.83,688 11.695,689 7.3,694 1,699 2,704 9,705 2,709 7,711 18,720 1,724 1,730 1,731 41,733 19,734 1,735 27,737 43,738 19,739 16,740 3,741 3,742 1,746 3,747 3,752 1,761 17,762 2,766 1,771 1,775 1,777 1,778 1,779 1,781 16,782 6,783 2,784 6,790 3,794 1,795 2,805 2,812 3,838 1,840 3,844 1,846 1,848 25,853 1,854 1,855 1,869 1,870 4.9,872 1,873 1,877 13.167,878 7.66,879 5.5,880 2.277,881 3.163,882 1.454,883 0.969,884 4.942,885 10.126,886 3.638,887 4.241,888 4.785,889 5.325,890 5.888,891 6.016,892 6.355,893 6.659,894 7.027,895 7.326,896 0.857,897 37,898 9.22,900 3.925,901 8.073,902 17.011,904 13.557,905 2.573,906 64.333,909 1,910 164.795,911 123.217,912 51.582,914 67.828,915 14.96,917 123.217,918 232.624,919 66.542,920 8.825,921 2.106,922 66.334,923 143.862,924 45.043,925 14.96,926 141.253,928 164.795,929 174.799,930 82.788,933 179.756,934 67.828,937 34.539,938 88.678,939 51.582,941 179.756,942 119.41,943 123.217,946 164.795,947 29.964,948 93.254,949 18.011,950 116.359,951 164.795,952 134.37,953 123.217,955 0.581,956 0.328,957 0.169,958 0.098,959 17,960 8,961 0.116,962 5,964 1,965 3.687,966 200.46,968 18,969 112.096,974 16.906,975 7.308,976 4.128,978 134.37,979 14.322,980 8.477,984 3.337,986 60.694,987 422.383,988 37,993 11.4,997 -1.017,999 41.658,1000 46.16,1001 0.31,1002 0.7,1003 0.852,1004 0.933,1005 0.933,1006 0.933,1007 4.848,1008 1.206,1009 5.666,1010 3.759,1011 4.317,1012 4.927,1013 1.79,1014 6.431,1015 4.26,1016 6.061,1017 1,1018 7.201,1019 2.832,1020 3.892,1021 4.677,1023 7.226,1024 3.81,1025 7.359,1026 1,1027 8.832,1028 2.492,1029 5.872,1030 7.102,1031 2.292,1032 10.277,1033 5.771,1034 8.689,1035 0.747,1036 10.517,1037 2.136,1038 6.217,1039 7.607,1041 11.855,1042 6.1,1043 10.046,1045 12.236,1046 1.756,1047 7.688,1048 9.528,1049 2.931,1050 14.409,1051 7.552,1052 11.423,1053 -0.487,1054 13.977,1056 8.395,1057 10.406,1059 16.326,1060 8.247,1061 12.814,1062 -0.514,1063 15.735,1064 -1.242,1065 9.644,1066 12.085,1067 3.621,1068 18.684,1069 9.476,1070 2.996,1071 -0.624,1072 17.504,1073 -1.257,1074 10.534,1075 13.172,1077 20.76,1078 10.352,1079 2.852,1080 9.499,1081 19.282,1082 -1.759,1083 11.683,1084 14.72,1085 4.33,1086 23.037,1087 11.481,1088 2.599,1089 8.708,1090 21.066,1091 4.043,1092 12.664,1093 15.928,1095 25.19,1096 12.447,1097 2.282,1098 8.039,1099 22.856,1100 3.878,1101 13.769,1102 17.401,1103 5.048,1104 27.435,1105 13.532,1106 2.094,1107 6.567,1108 24.65,1109 3.474,1110 14.796,1111 18.681,1113 29.625,1114 14.542,1115 1.762,1116 5.794,1117 26.448,1118 2.941,1119 15.883,1120 20.113,1121 5.769,1122 31.858,1123 15.609,1124 1.472,1125 4.376,1126 28.248,1127 2.769,1128 16.935,1129 21.435,1131 34.069,1132 16.643,1133 6786,1134 12494,1135 17.8,1136 28.193,1137 40.607,1138 41.352,1139 41.065,1140 40.084,1141 40.02,1142 54.352,1143 4.188,1144 111.913,1145 38.739,1146 5.205,1147 5.584,1148 6.059,1149 5.026,1150 4.996,1151 7.043,1152 2.873,1153 15.832,1154 4.941,1155 12.81,1156 1.504,1157 1.532,1158 1.521,1159 1.485,1160 1.482,1161 2.013,1162 0.155,1163 4.145,1164 1.435,1165 4.013,1166 4.046,1167 3.972,1168 3.921,1169 8.201,1170 3.929,1171 3.916,1172 3.946,1173 3.869,1174 3.84,1175 7.475,1176 3.842,1177 3.744,1178 3.782,1179 3.688,1180 3.632,1181 6.351,1182 3.64,1183 3.366,1184 3.41,1185 3.295,1186 3.143,1187 4.958,1188 3.164,1189 3.184,1190 3.263,1191 3.093,1192 3.021,1193 4.752,1194 3.003,1195 3.134,1196 3.163,1197 2.977,1198 2.866,1199 4.644,1200 2.914,1201 2.877,1202 2.932,1203 2.793,1204 2.735,1205 3.999,1206 2.736,1207 2.854,1208 2.925,1209 2.687,1210 2.728,1211 3.868,1212 2.715,1213 0.162,1214 0.133,1215 0.232,1216 0.147,1217 0.111,1218 4.369,1219 0.15,1220 3.584,1221 0.053,1222 6.258,1223 0.352,1224 3.979,1225 0.109,1226 2.996,1227 4.043,1228 1.437,1229 9.499,1230 2.941,1231 1.953,1232 1.925,1233 2.04,1234 2.067,1235 1.164,1236 2.06,1237 1.898,1238 1.872,1239 1.997,1240 1.998,1241 1.097,1242 2,1243 1.711,1244 1.677,1245 1.828,1246 1.85,1247 0.908,1248 1.845,1249 1.281,1250 1.229,1251 1.542,1252 1.54,1253 0.645,1254 1.523,1255 1.202,1256 1.123,1257 1.491,1258 1.419,1259 0.583,1260 1.461,1261 0.973,1262 0.955,1263 1.181,1264 1.308,1265 0.218,1266 1.237,1267 0.886,1268 0.821,1269 1.083,1270 1.062,1271 0.13,1272 1.107,1273 0.838,1274 0.788,1275 1.069,1276 1.032,1277 0.082,1278 1.042,1279 4.007,1281 5.313,1283 6.81,1285 8.392,1287 10.017,1289 1.801,1291 13.183,1294 9.338,1295 0.325,1296 3.167,1305 27.565,1306 68.194,1307 153.869,1308 187.253,1309 204.905,1310 204.905,1311 204.905,1312 49.155,1313 6.963,1314 75.11,1315 75.11,1316 18,1317 12.243,1318 4.322,1319 3.459,1320 41.645,1321 89,1322 93,1323 0.225,1324 171.144,1325 297.73,1326 409.352,1327 9152,1328 2.4,1329 17.811,1330 0.712,1331 0.541,1332 16.941,1333 13.531,1334 12.025,1335 0.445,1336 0.284,1337 7.567,1338 11.557,1339 7.374,1340 6.135,1341 11.631,1342 7.674,1343 10.968,1344 0.296,1345 0.151,1346 10.335,1347 5.586,1348 8.692,1349 0.189,1350 0.082,1351 8.372,1352 3.75,1353 6.911,1354 0.121,1355 0.044,1356 6.576,1357 2.484,1358 5.726,1359 0.078,1360 0.022,1361 5.527,1362 1.624,1363 0.35,1364 75.532,1365 0.237,1366 24.24,1367 0.623,1368 128,1369 457.619,1370 141.421,1371 420.693,1372 557.23,1373 390,1374 147,1375 395.62,1376 158.755,1377 397.869,1378 573.31,1379 373,1380 4.538}
{0 CHEMBL511922,1 1.546,2 10.744,3 0.858,4 0.736,5 140.877,6 7.558,7 0.14,8 4.367,9 4.462,10 3.936,11 3.873,12 5.505,13 3.871,14 4.964,15 5.116,16 4.383,17 4.334,18 6.072,19 4.323,20 5.27,21 5.408,22 4.614,23 4.615,24 6.428,25 4.589,26 5.517,27 5.682,28 4.735,29 4.758,30 6.628,31 4.718,32 5.675,33 5.852,34 4.847,35 4.794,36 6.91,37 4.768,38 5.684,39 5.857,40 4.832,41 4.785,42 7.001,43 4.765,44 5.68,45 5.853,46 4.732,47 4.763,48 7.019,49 4.712,50 5.681,51 5.917,52 4.473,53 4.622,54 6.857,55 4.528,56 0.127,57 0.97,58 14.22,59 7.093,60 20.098,61 8.54,62 0.656,63 1.633,64 29.843,65 12.037,66 72.132,67 15.12,68 0.81,69 2.181,70 39.876,71 16.782,72 115.995,73 20.62,74 0.956,75 2.656,76 53.395,77 21.294,78 146.087,79 26.681,80 1.871,81 2.889,82 66.965,83 23.245,84 232.468,85 29.384,86 2.106,87 2.895,88 68.209,89 22.442,90 292.875,91 27.916,92 2.02,93 2.877,94 67.227,95 23.072,96 298.775,97 28.979,98 2.083,99 2.737,100 73.612,101 22.333,102 287.442,103 30.131,104 109,105 67,106 0.241,107 0.621,108 0.85,109 0.872,110 0.872,111 0.872,112 3.694,113 0.902,114 -2.08,115 -2.12,116 -2.11,119 40.8,120 3,121 3,122 1,123 2,124 2,125 1,127 2,136 4,137 1,138 1,142 2,144 1,145 2,156 2,158 2,172 11,174 2,175 15,180 1,183 16,186 1,187 16,190 1,192 3,195 15,198 3,199 17,204 3,207 13,211 4,212 19,215 3,217 2,220 13,223 5,224 16,227 2,229 3,232 12,236 7,237 17,240 1,242 2,245 9,249 4,250 11,253 1,255 1,258 2,262 3,263 12,266 1,271 4,275 2807,276 25.511,277 25.511,278 25.511,279 25.511,280 25.511,281 23.626,282 33.708,283 14.422,284 26.018,285 21.092,286 21.092,287 21.092,288 21.092,289 21.092,290 17.919,291 46.767,292 6.664,293 21.763,294 4.604,295 2.166,296 0.701,297 0.56,298 0.56,299 0.56,300 4.386,305 1,306 900,307 4.69,310 67.756,311 306.911,314 112.795,315 226.882,318 1.609,319 75.918,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 87,331 419,332 5.022,333 4.258,334 8.266,335 4.843,336 3.849,337 4.41,338 2.455,339 16.383,340 3.827,341 4.655,342 4.071,343 7.865,344 4.578,345 3.575,346 3.845,347 2.178,348 14.589,349 3.583,350 4.213,351 3.684,352 6.697,353 3.87,354 2.897,355 3.587,356 1.674,357 10.496,358 2.83,359 4.025,360 3.627,361 6.59,362 3.794,363 2.791,364 3.438,365 1.148,366 10.014,367 2.788,368 4,369 3.483,370 6.06,371 3.658,372 2.699,373 3.184,374 0.86,375 8.61,376 2.581,377 3.704,378 3.062,379 5.887,380 3.401,381 2.44,382 2.913,383 0.8,384 7.871,385 2.326,386 3.567,387 3.023,388 5.746,389 3.184,390 2.213,391 2.732,392 0.525,393 7.279,394 2.131,395 3.267,396 2.655,397 5.36,398 2.987,399 2.016,400 2.381,402 5.948,403 1.938,404 3.109,405 2.603,406 5.091,407 2.789,408 1.812,409 2.212,411 4.939,412 1.753,413 2.955,414 2.304,415 4.624,416 2.687,417 1.743,418 1.945,420 4.608,421 1.681,422 2.927,423 2.033,424 4.349,425 2.662,426 1.617,427 1.935,428 4.173,429 1.633,430 2.642,431 1.939,432 4.282,433 2.274,434 1.32,435 1.59,436 3.488,437 1.248,438 2.5,439 1.729,440 4.089,441 2.133,442 1.178,443 1.5,445 2.876,446 1.114,447 2.447,448 1.582,449 3.818,450 1.984,451 1,452 1.389,454 2.275,455 0.983,456 2.176,457 1.329,458 3.725,459 1.901,460 0.995,461 1.104,463 2.136,464 0.892,465 17.967,466 0.461,467 1.4,468 0.036,469 42.5,470 1.09,471 17,472 0.436,473 25.5,474 0.654,475 50.845,476 1.304,477 43.833,478 0.617,479 43.573,480 1.117,481 8.167,482 0.209,483 10.278,484 0.264,485 0.232,486 0.056,487 0.384,493 0.728,494 1.335,495 0.749,496 1.198,497 0.609,498 1.016,499 0.815,500 0.9,501 0.731,502 0.832,503 0.542,504 0.765,505 0.914,506 1.116,507 0.944,508 1.106,509 0.826,510 1.044,511 0.965,512 1.148,513 0.976,514 1.195,515 1.021,516 1.112,517 1.098,518 1.047,519 0.946,520 1.04,521 1.035,522 0.975,523 1.288,524 0.956,525 1.067,526 0.967,527 1.315,528 0.962,529 1.192,530 1.141,531 1.188,532 1.183,533 1.247,534 1.19,535 1.186,536 0.901,537 1.088,538 0.908,539 1.227,540 0.968,541 10,542 0.222,543 6.889,544 5.167,545 5.097,546 3.49,547 2.393,548 1.41,549 0.881,550 0.438,551 18506,552 54568,553 2.007,554 45.1,555 9,556 12,557 1,558 2,559 1,560 5,561 2,564 1.806,565 1.8,566 3.3,567 -0.358,573 109.751,574 1.546,575 3.983,576 5.449,577 5.59,578 5.59,579 5.59,580 2.828,581 4.773,582 5.252,583 3.484,584 2581.97,585 9.34,586 39151.2,591 436.632,592 1.782,593 5.164,594 0.233,595 0.007,596 0.103,597 0.063,598 0.057,599 0.036,600 0.025,601 0.017,602 0.014,603 0.009,604 0.565,605 0.33,606 0.63,607 1.079,608 208.553,609 -0.043,610 -0.131,611 0.048,612 -0.051,613 -0.043,614 0.008,615 0.023,616 0.216,617 0.161,618 0.231,619 0.067,620 0.236,621 -0.038,622 -0.018,623 -0.058,624 -0.026,625 -0.021,626 -0.042,627 -0.055,628 -0.109,629 -0.053,630 -0.144,631 -0.101,632 -0.108,633 0.045,634 -0.073,635 0.05,636 -0.041,637 0.008,638 -0.003,639 -0.042,640 0.031,641 -0.054,642 0.009,643 -0.025,644 -0.017,645 -0.01,646 -0.163,647 -0.191,648 -0.192,649 0.011,650 -0.231,651 -0.067,652 0.001,653 -0.037,654 0.029,655 -0.065,656 0.005,657 2.532,658 7.002,659 0.59,660 39.511,661 1.015,662 1.125,663 0.847,664 0.717,665 0.649,666 3.784,667 4.22,668 4.605,669 4.99,670 5.352,671 5.609,672 5.844,673 6.054,674 6.209,675 6.306,676 6.344,677 0.629,678 536.63,679 3.784,680 5.398,681 6.315,682 7.274,683 8.227,684 9.2,685 10.168,686 11.148,687 12.124,688 13.109,689 2.8,695 1,699 1,704 4,705 1,709 1,711 6,726 1,731 71,733 13,735 43,737 75,738 29,739 5,742 8,746 5,747 11,752 3,753 2,754 2,755 5,756 1,758 5,761 15,762 14,763 1,766 7,771 4,773 1,775 9,781 32,782 10,783 1,784 10,790 2,794 0.4,795 8,805 1,811 1,812 4,815 1,816 2,824 2,829 2,831 1,832 4,838 1,839 1,840 2,844 5,848 39,853 1,854 4,856 3,858 3,859 1,860 2,870 11.3,872 1,873 4,874 1,875 2,877 21.667,878 14.433,879 8.375,880 4.229,881 2.166,882 1.242,883 0.916,884 6.907,885 11.104,886 3.989,887 4.559,888 5.116,889 5.635,890 6.164,891 6.494,892 6.861,893 7.2,894 7.51,895 7.771,896 1,897 82,898 14.836,900 6.925,901 8.03,902 27.278,904 23.596,905 2.53,906 98.667,910 364.904,911 144.194,912 19.91,914 176.263,917 144.194,918 541.167,919 19.91,920 45.755,921 21.243,922 18.952,923 219.24,924 58.718,925 11.771,926 329.591,928 364.904,929 164.104,930 176.263,933 341.362,934 188.805,935 11,937 56.766,938 90.552,939 16.786,941 364.904,942 196.173,943 144.194,946 364.904,947 52.345,948 94.974,950 193.048,951 364.904,952 196.173,953 144.194,955 0.602,956 0.371,957 0.213,958 0.131,959 35,960 18,961 0.08,962 6,963 3,964 1.261,965 4.23,966 449.585,967 0.261,968 23,969 200.131,974 27.45,975 9.813,976 4.103,978 196.173,979 6.696,980 4.015,984 0.712,986 42.683,987 705.271,988 53,993 52.745,995 1.51,997 -1.724,999 72.076,1000 79.9,1001 0.251,1002 0.648,1003 0.886,1004 0.909,1005 0.909,1006 0.909,1007 5.33,1008 2.016,1009 6.395,1010 7.279,1011 4.905,1012 5.247,1013 3.386,1014 7.409,1015 4.86,1016 6.578,1017 1.812,1018 8.093,1019 5.948,1020 4.89,1021 5.27,1022 2.801,1023 8.921,1024 4.861,1025 7.95,1026 1.743,1027 9.912,1028 4.939,1029 6.737,1030 7.385,1031 4.573,1032 12.131,1033 6.675,1034 9.358,1035 1.617,1036 11.806,1037 4.608,1038 7.534,1039 8.182,1040 4.728,1041 14.481,1042 7.494,1043 10.805,1044 1.32,1045 13.75,1046 4.173,1047 8.968,1048 9.86,1049 6.042,1050 17.343,1051 8.911,1052 12.279,1053 1.178,1054 15.729,1055 3.488,1056 10.088,1057 10.993,1058 6.547,1059 19.976,1060 10.045,1061 13.774,1062 1,1063 17.734,1064 2.876,1065 11.417,1066 12.522,1067 7.643,1068 22.76,1069 11.366,1070 3.849,1071 0.995,1072 19.758,1073 2.275,1074 12.659,1075 13.814,1076 8.326,1077 25.485,1078 12.614,1079 3.575,1080 16.383,1081 21.799,1082 2.136,1083 13.97,1084 15.291,1085 9.314,1086 28.256,1087 13.921,1088 2.897,1089 14.589,1090 23.851,1091 4.41,1092 15.26,1093 16.664,1094 10.091,1095 31.013,1096 15.212,1097 2.791,1098 10.496,1099 25.912,1100 3.845,1101 16.574,1102 18.125,1103 11.026,1104 33.785,1105 16.523,1106 2.699,1107 10.014,1108 27.981,1109 3.587,1110 17.884,1111 19.541,1112 11.854,1113 36.555,1114 17.832,1115 2.44,1116 8.61,1117 30.056,1118 3.438,1119 19.204,1120 21,1121 12.764,1122 39.33,1123 19.148,1124 2.213,1125 7.871,1126 32.135,1127 3.184,1128 20.525,1129 22.442,1130 13.619,1131 42.107,1132 20.465,1133 17927,1134 30877,1135 27.164,1136 46.068,1137 68.579,1138 71.055,1139 72.599,1140 66.786,1141 66.773,1142 79.425,1143 19.281,1144 217.268,1145 65.004,1146 6.022,1147 6.258,1148 8.068,1149 5.936,1150 5.849,1151 7.41,1152 4.234,1153 25.386,1154 5.827,1155 25.527,1156 1.595,1157 1.652,1158 1.688,1159 1.553,1160 1.553,1161 1.847,1162 0.448,1163 5.053,1164 1.512,1165 4.13,1166 4.144,1167 4.087,1168 4.052,1169 7.438,1170 4.057,1171 3.911,1172 3.948,1173 3.853,1174 3.797,1175 7.431,1176 3.805,1177 3.838,1178 3.866,1179 3.778,1180 3.727,1181 7.428,1182 3.734,1183 3.584,1184 3.601,1185 3.512,1186 3.395,1187 7.424,1188 3.413,1189 3.514,1190 3.545,1191 3.45,1192 3.293,1193 6.459,1194 3.318,1195 3.49,1196 3.517,1197 3.39,1198 3.285,1199 4.912,1200 3.309,1201 3.313,1202 3.379,1203 3.165,1204 3.141,1205 4.707,1206 3.132,1207 3.259,1208 3.312,1209 3.109,1210 2.994,1211 4.552,1212 3.002,1213 0.117,1214 0.099,1215 0.192,1216 0.113,1217 0.09,1218 5.022,1219 0.103,1220 4.258,1221 0.057,1222 8.266,1223 0.381,1224 4.843,1225 0.089,1226 3.849,1227 4.41,1228 2.455,1229 16.383,1230 3.827,1231 2.032,1232 2.022,1233 2.114,1234 2.127,1235 1.511,1236 2.12,1237 1.845,1238 1.806,1239 1.961,1240 1.99,1241 1.247,1242 1.985,1243 1.743,1244 1.718,1245 1.892,1246 1.892,1247 1.119,1248 1.889,1249 1.573,1250 1.531,1251 1.804,1252 1.753,1253 1.008,1254 1.768,1255 1.458,1256 1.419,1257 1.696,1258 1.704,1259 0.813,1260 1.691,1261 1.426,1262 1.387,1263 1.674,1264 1.682,1265 0.75,1266 1.679,1267 1.361,1268 1.325,1269 1.634,1270 1.603,1271 0.692,1272 1.614,1273 1.199,1274 1.143,1275 1.499,1276 1.467,1277 0.652,1278 1.466,1279 4.466,1281 5.872,1282 2.398,1283 7.494,1284 4.844,1285 9.232,1286 7.034,1287 11.042,1289 8.019,1294 11.558,1295 0.874,1297 17.142,1299 -2.339,1300 1.668,1301 -2.208,1305 44.663,1306 109.751,1307 282.811,1308 386.858,1309 396.858,1310 396.858,1311 396.858,1312 137.611,1313 8.938,1314 132.33,1315 132.33,1316 29,1317 13.579,1318 3.807,1319 3.459,1320 60.701,1321 143,1322 188,1323 0.208,1324 268.266,1325 503.48,1326 646.329,1327 93712,1329 28.275,1330 0.725,1331 0.581,1332 28.275,1333 22.647,1334 18.444,1335 0.429,1336 0.301,1337 12.705,1338 17.519,1339 12.251,1340 10.066,1341 18.444,1342 12.931,1343 17.871,1344 0.267,1345 0.165,1346 17.871,1347 11.025,1348 15.65,1349 0.158,1350 0.089,1351 15.65,1352 8.813,1353 13.721,1354 0.094,1355 0.047,1356 13.721,1357 6.93,1358 12.014,1359 0.057,1360 0.024,1361 12.014,1362 5.075,1363 0.309,1364 117.553,1365 0.192,1366 33.557,1367 0.633,1368 220,1369 709.589,1370 245.058,1371 658.378,1372 876.48,1373 612,1374 276,1375 621.96,1376 301.147,1377 624.908,1378 929.86,1379 584,1380 6.924}
{0 CHEMBL512092,1 1.719,2 9.444,3 2.647,4 7.004,5 104.527,6 8.293,7 0.516,8 3.972,9 4.084,10 3.684,11 3.544,12 5.063,13 3.52,14 4.526,15 4.683,16 4.141,17 3.977,18 5.587,19 3.943,20 4.76,21 4.937,22 4.173,23 4.124,24 5.782,25 4.048,26 4.868,27 5.094,28 4.134,29 4.142,30 5.878,31 4.023,32 4.707,33 4.901,34 4.033,35 4.004,36 5.786,37 3.9,38 4.53,39 4.711,40 3.878,41 3.897,42 5.486,43 3.793,44 4.508,45 4.686,46 3.866,47 3.818,48 5.584,49 3.762,50 4.604,51 4.812,52 3.766,53 3.803,54 5.684,55 3.703,56 0.078,57 0.749,58 8.673,59 4.171,60 7.455,61 4.922,62 0.274,63 1.248,64 18.872,65 7.09,66 21.722,67 8.757,68 0.402,69 1.495,70 25.043,71 9.199,72 30.071,73 11.083,74 0.38,75 1.581,76 35.445,77 12.579,78 39.698,79 15.425,80 0.578,81 1.391,82 28.651,83 9.194,84 55.689,85 10.312,86 0.235,87 1.2,88 25.495,89 9.064,90 14.095,91 10.29,92 0.368,93 1.113,94 19.443,95 7.047,96 28.984,97 8.401,98 0.538,99 1.183,100 24.65,101 8.079,102 49.653,103 10.065,104 10,105 47,106 0.292,107 0.697,108 0.835,109 0.852,110 0.852,111 0.852,112 3.341,113 0.936,114 -3.55,115 -3.53,116 -3.36,119 41.3,120 2,121 1,125 2,130 1,142 3,143 2,144 2,145 1,146 1,151 1,152 1,158 1,162 1,168 1,172 4,174 1,175 6,178 1,180 4,183 7,186 1,187 6,192 2,195 3,198 1,199 12,202 1,204 2,207 1,211 2,212 5,215 1,217 1,220 4,223 1,224 4,227 1,232 3,236 1,237 2,240 1,242 1,245 2,249 2,250 3,253 2,255 3,258 4,263 4,268 2,271 4,275 1061,276 18.187,277 18.187,278 18.187,279 18.187,280 18.187,281 16.268,282 24.022,283 10.378,284 18.732,285 15.351,286 15.351,287 15.351,288 15.351,289 15.351,290 12.3,291 39.53,292 4.962,293 16.294,294 3.805,295 1.421,296 0.614,297 0.511,298 0.511,299 0.511,300 4.05,303 1,304 1,305 1,306 572,307 2.739,310 109.974,311 185.952,314 93.731,315 103.591,318 1.498,319 23.688,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58.5,331 255,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.177,338 1.058,339 11.552,340 3.216,341 4.408,342 3.406,343 6.712,344 4.098,345 3.155,346 4.028,347 0.86,348 10.943,349 2.993,350 4.127,351 3.134,352 6.32,353 3.816,354 2.865,355 3.575,356 0.8,357 9.578,358 2.711,359 3.992,360 2.889,361 6.118,362 3.672,363 2.709,364 3.194,366 8.943,367 2.591,368 3.607,369 2.753,370 5.681,371 3.237,372 2.3,373 2.837,375 7.461,376 2.14,377 3.285,378 2.466,379 5.117,380 2.914,381 1.934,382 2.565,384 5.848,385 1.879,386 3.206,387 1.97,388 4.6,389 2.754,390 1.801,391 2.385,393 4.68,394 1.709,395 2.828,396 1.66,397 4.472,398 2.389,399 1.459,400 1.948,402 4.284,403 1.348,404 2.515,405 1.581,406 3.975,407 2.291,408 1.374,409 1.516,411 3.278,412 1.244,413 2.356,414 1.248,415 3.794,416 1.888,417 0.922,418 1.291,420 2.396,421 0.886,422 2.299,423 0.986,424 3.396,425 1.711,426 0.831,427 1.166,428 2.137,429 0.708,430 2.118,431 0.824,432 3.279,433 1.604,434 0.676,435 0.927,436 1.754,437 0.621,438 1.982,439 0.618,440 3.221,441 1.547,442 0.618,443 0.862,445 1.372,446 0.572,447 1.046,448 0.457,449 3,450 0.76,451 -0.204,452 -0.236,454 -0.597,455 -0.195,456 0.965,457 -0.009,458 2.794,459 0.606,460 -0.348,461 -0.415,463 -0.989,464 -0.324,465 13,466 0.481,467 0.844,468 0.031,469 35,470 1.296,471 16.5,472 0.611,473 18.5,474 0.685,475 24.743,476 0.916,477 28.4,478 0.617,479 23.921,480 0.886,481 6.463,482 0.239,483 6.537,484 0.242,485 0.103,486 0.038,487 0.338,493 0.789,494 1.198,495 0.698,496 0.924,497 0.607,498 0.861,499 0.898,500 1.105,501 0.712,502 0.865,503 0.586,504 0.775,505 1.119,506 1.058,507 0.988,508 1.007,509 0.981,510 1.047,511 0.738,512 1.059,513 1.05,514 1.121,515 0.737,516 0.954,517 1.383,518 0.908,519 1.34,520 1.027,521 1.874,522 1.015,523 0.845,524 1.19,525 1.484,526 1.471,527 0.608,528 1.171,529 1.294,530 1.016,531 0.987,532 0.948,533 1.237,534 0.989,535 1.119,536 0.989,537 1.12,538 1.095,539 1.291,540 1.13,541 6.5,542 0.131,543 3.556,544 2.16,545 1.842,546 1.018,547 0.6,548 0.407,549 0.347,550 0.227,551 8825,552 23526,553 2.175,554 41.3,556 7,557 1,558 1,559 2,560 2,561 6,564 1.704,565 2.038,566 3.253,567 0.304,568 1,569 1,573 79.053,574 1.719,575 4.102,576 4.909,577 5.012,578 5.012,579 5.012,580 2.696,581 4.236,582 4.729,583 3.397,584 1192.18,585 8.224,586 14688.9,588 1,590 1,591 254.084,592 1.548,593 4.683,594 0.21,595 0.009,596 0.076,597 0.048,598 0.042,599 0.028,600 0.017,601 0.012,602 0.012,603 0.011,604 0.464,605 0.5,606 0.88,607 0.528,608 131.403,609 -0.019,610 -0.057,611 0.071,612 0.018,613 -0.04,614 0.031,615 0.032,616 -0.023,617 0.18,618 0.1,619 0.086,620 0.147,621 -0.133,622 -0.01,623 -0.07,624 -0.043,625 -0.14,626 -0.117,627 0.095,628 -0.106,629 0.097,630 -0.009,631 0.155,632 0.092,633 -0.187,634 0.155,635 -0.186,636 0.044,637 -0.321,638 -0.076,639 -0.013,640 -0.129,641 -0.236,642 -0.269,643 0.025,644 -0.16,645 -0.096,646 0.001,647 -0.099,648 -0.025,649 -0.061,650 -0.075,651 0.06,652 -0.028,653 -0.14,654 -0.13,655 -0.008,656 -0.171,657 1.703,658 5.458,659 0.889,660 20.996,661 1.009,662 1.125,663 2.323,664 5.394,665 0.694,666 3.466,667 3.871,668 4.174,669 4.522,670 4.754,671 4.949,672 5.118,673 5.308,674 5.447,675 5.517,676 5.82,677 0.661,678 381.5,679 3.466,680 5.056,681 5.938,682 6.862,683 7.758,684 8.685,685 9.588,686 10.516,687 11.423,688 12.351,689 10.9,696 1,697 2,699 2,704 5,705 2,706 1,708 1,709 7,711 16,718 1,726 1,729 1,731 46,733 17,734 1,735 31,737 50,738 19,739 12,740 3,741 3,742 1,746 5,747 7,752 2,755 1,756 1,758 1,761 13,762 6,763 1,766 1,771 1,775 1,777 1,778 1,781 19,782 6,783 2,784 8,785 1,790 5,794 0.6,795 2,803 1,811 2,812 3,815 1,816 1,840 3,842 1,844 2,848 27,854 3,855 1,856 1,859 1,860 1,863 1,870 4.3,873 1,875 1,877 13.25,878 9.017,879 5.583,880 2.736,881 2.905,882 1.356,883 1.021,884 3.933,885 11.061,886 3.714,887 4.344,888 4.931,889 5.549,890 5.959,891 6.374,892 6.777,893 7.174,894 7.53,895 7.811,896 1,897 45,898 9.999,900 4.427,901 7.664,902 19.268,904 16.611,905 2.164,906 58.417,909 1,910 200.109,911 128.376,912 71.247,914 36.145,916 31.278,917 97.098,918 236.254,919 71.247,920 17.65,921 27.243,922 37.476,923 75.069,924 57.463,925 13.13,926 207.844,928 200.109,929 168.345,930 36.145,931 31.278,933 129.482,934 106.771,937 76.986,938 57.911,939 33.449,940 31.278,941 200.109,942 107.391,943 128.376,946 200.109,947 64.202,948 67.298,949 34.674,950 69.593,951 200.109,952 107.391,953 128.376,955 0.602,956 0.349,957 0.198,958 0.103,959 27,960 11,961 0.04,962 2,963 2,964 1.167,965 3.832,966 254.038,967 0.167,968 24,969 126.382,970 1,974 17.05,975 6.229,976 2.998,978 90.728,979 9.751,980 8.85,981 2.847,983 1.446,984 6.283,986 34.674,987 435.876,988 40,993 12.458,997 -0.036,999 46.425,1000 51.737,1001 0.311,1002 0.743,1003 0.889,1004 0.907,1005 0.907,1006 0.907,1007 5.004,1008 1.459,1009 5.979,1010 4.68,1011 4.554,1012 5.03,1013 1.737,1014 6.874,1015 4.443,1016 6.238,1017 1.374,1018 7.59,1019 4.284,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.238,1025 7.577,1026 0.922,1027 9.305,1028 3.278,1029 6.275,1030 7.22,1031 1.622,1032 11.093,1033 6.07,1034 8.947,1035 0.831,1036 11.079,1037 2.396,1038 6.878,1039 7.916,1040 0.268,1041 13.015,1042 6.645,1043 10.347,1044 0.676,1045 12.889,1046 2.137,1047 8.3,1048 9.692,1049 1.587,1050 15.634,1051 8.009,1052 11.767,1053 0.618,1054 14.722,1055 1.754,1056 9.231,1057 10.752,1058 0.188,1059 17.843,1060 8.903,1061 13.202,1062 -0.204,1063 16.571,1064 1.372,1065 10.485,1066 12.318,1067 1.592,1068 20.324,1069 10.108,1070 3.349,1071 -0.348,1072 18.432,1073 -0.597,1074 11.554,1075 13.554,1076 0.125,1077 22.65,1078 11.137,1079 3.155,1080 11.552,1081 20.301,1082 -0.989,1083 12.752,1084 15.031,1085 1.624,1086 25.086,1087 12.29,1088 2.865,1089 10.943,1090 22.177,1091 4.177,1092 13.881,1093 16.353,1094 0.082,1095 27.464,1096 13.377,1097 2.709,1098 9.578,1099 24.058,1100 4.028,1101 15.061,1102 17.791,1103 1.676,1104 29.887,1105 14.515,1106 2.3,1107 8.943,1108 25.944,1109 3.575,1110 16.218,1111 19.157,1112 0.054,1113 32.289,1114 15.631,1115 1.934,1116 7.461,1117 27.833,1118 3.194,1119 17.397,1120 20.579,1121 1.742,1122 34.71,1123 16.768,1124 1.801,1125 5.848,1126 29.726,1127 2.837,1128 18.568,1129 21.967,1130 0.035,1131 37.125,1132 17.898,1133 8140,1134 13447,1135 20.978,1136 31.915,1137 49.028,1138 49.297,1139 48.293,1140 47.88,1141 47.985,1142 60.941,1143 5.437,1144 148.453,1145 45.234,1146 5.517,1147 5.726,1148 6.478,1149 5.451,1150 5.349,1151 7.177,1152 2.117,1153 18.895,1154 5.216,1155 11.478,1156 1.582,1157 1.59,1158 1.558,1159 1.545,1160 1.548,1161 1.966,1162 0.175,1163 4.789,1164 1.459,1165 4.063,1166 4.094,1167 4.277,1168 3.983,1169 7.429,1170 3.97,1171 3.946,1172 3.982,1173 3.962,1174 3.872,1175 5.047,1176 3.852,1177 3.779,1178 3.836,1179 3.719,1180 3.585,1181 4.866,1182 3.609,1183 3.546,1184 3.595,1185 3.583,1186 3.457,1187 4.719,1188 3.418,1189 3.397,1190 3.457,1191 3.276,1192 3.228,1193 4.289,1194 3.223,1195 3.133,1196 3.164,1197 3.076,1198 2.842,1199 4.265,1200 2.893,1201 2.931,1202 3.009,1203 2.819,1204 2.748,1205 3.803,1206 2.753,1207 2.874,1208 2.994,1209 2.754,1210 2.648,1211 3.516,1212 2.606,1213 0.147,1214 0.12,1215 0.222,1216 0.139,1217 0.108,1218 4.567,1219 0.135,1220 3.726,1221 0.034,1222 6.881,1223 0.373,1224 4.307,1225 0.104,1226 3.349,1227 4.177,1228 1.058,1229 11.552,1230 3.216,1231 1.94,1232 1.92,1233 2.022,1234 2.05,1235 1.262,1236 2.042,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.204,1242 1.99,1243 1.553,1244 1.512,1245 1.735,1246 1.729,1247 0.981,1248 1.734,1249 1.34,1250 1.322,1251 1.51,1252 1.651,1253 0.691,1254 1.606,1255 1.314,1256 1.254,1257 1.506,1258 1.495,1259 0.602,1260 1.512,1261 1.226,1262 1.13,1263 1.417,1264 1.419,1265 0.469,1266 1.43,1267 1.163,1268 1.114,1269 1.391,1270 1.369,1271 0.444,1272 1.362,1273 0.934,1274 0.829,1275 1.205,1276 1.239,1277 0.247,1278 1.308,1279 4.143,1281 5.525,1282 3.045,1283 7.093,1284 5.283,1285 8.749,1286 7.31,1287 10.455,1289 4.044,1295 2.01,1296 3.053,1297 5.836,1300 2.145,1301 -0.271,1305 30.411,1306 79.053,1307 188.7,1308 225.819,1309 230.574,1310 230.574,1311 230.574,1312 39.059,1313 8.157,1314 83.14,1315 111.38,1316 28,1317 12.858,1318 4.17,1319 3.322,1320 35.64,1321 93,1322 86,1323 0.187,1324 185.734,1325 312.73,1326 444.95,1327 40035,1329 18.596,1330 0.689,1331 0.589,1332 18.949,1333 15.891,1334 13,1335 0.419,1336 0.312,1337 8.793,1338 12.029,1339 8.464,1340 6.978,1341 13.408,1342 9.675,1343 12.842,1344 0.273,1345 0.179,1346 13.457,1347 8.434,1348 10.629,1349 0.166,1350 0.093,1351 11.519,1352 5.958,1353 9.756,1354 0.107,1355 0.051,1356 10.664,1357 4.601,1358 7.454,1359 0.065,1360 0.029,1361 8.423,1362 3.329,1363 0.287,1364 85.894,1365 0.218,1366 25.401,1367 0.536,1368 156,1369 439.933,1370 198.512,1371 444.479,1372 621.19,1373 418,1374 189,1375 459.243,1376 231.665,1377 478.679,1378 709.71,1379 450,1380 7.051}
{0 CHEMBL512293,1 1.596,2 7.8,3 2.496,4 6.229,5 80.333,6 7.311,7 0.217,8 3.802,9 3.913,10 3.429,11 3.381,12 4.681,13 3.317,14 4.458,15 4.637,16 3.882,17 3.857,18 5.288,19 3.768,20 4.751,21 4.974,22 3.897,23 4.015,24 5.552,25 3.861,26 4.788,27 5.054,28 3.77,29 3.963,30 5.598,31 3.764,32 4.539,33 4.789,34 3.614,35 3.671,36 5.507,37 3.526,38 4.139,39 4.3,40 3.343,41 3.486,42 5.103,43 3.344,44 4.151,45 4.362,46 3.036,47 3.334,48 5.011,49 3.183,50 4.187,51 4.443,52 2.832,53 3.222,54 5.031,55 3.061,56 0.009,57 0.602,58 9.649,59 4.338,60 1.699,61 5.542,62 0.203,63 1.083,64 21.454,65 7.583,66 11.882,67 10.108,68 0.319,69 1.337,70 29.811,71 10.634,72 24.487,73 13.947,74 0.263,75 1.361,76 37.058,77 12.201,78 25.919,79 15.412,80 0.45,81 1.041,82 28.425,83 7.998,84 39.924,85 10.17,86 0.154,87 0.757,88 18.061,89 6.182,90 17.688,91 7.288,92 0.16,93 0.698,94 17.758,95 5.887,96 16.467,97 7.392,98 0.31,99 0.641,100 15.914,101 5.403,102 30.316,103 7.44,104 2,105 34,106 0.288,107 0.507,108 0.708,109 0.762,110 0.762,111 0.762,112 3.06,113 1.1,114 -3.57,115 -3.54,116 -3.38,119 37.5,121 6,123 1,125 4,146 1,152 1,157 1,162 1,172 7,174 1,175 4,183 10,186 1,187 3,195 6,198 1,199 7,207 1,211 2,212 7,220 2,224 2,232 2,237 3,249 1,250 2,263 2,275 398,276 13.776,277 13.776,278 13.776,279 13.776,280 13.776,281 13.114,282 17.733,283 8.029,284 14.231,285 11.377,286 11.377,287 11.377,288 11.377,289 11.377,290 10.224,291 23.036,292 3.814,293 12.139,294 3.726,295 2.511,296 1.4,297 1.1,298 1.1,299 1.1,300 3.758,303 1,304 1,305 1,306 352,307 2.345,310 80.927,311 101.701,314 68.006,318 1.24,319 18.871,320 1,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 43,331 156,332 4.579,333 3.757,334 7.267,335 4.435,336 3.442,337 4.14,338 1.277,339 12.963,340 3.422,341 4.214,342 3.213,343 6.493,344 3.913,345 3.003,346 3.346,347 0.86,348 10.177,349 2.748,350 3.762,351 3.138,352 6.016,353 3.533,354 2.592,355 2.941,356 0.8,357 8.531,358 2.412,359 3.302,360 2.628,361 5.12,362 2.989,363 1.994,364 2.431,366 5.882,367 1.973,368 2.839,369 2.231,370 4.398,371 2.569,372 1.684,373 1.881,375 4.252,376 1.475,377 2.467,378 1.517,379 4.033,380 2.405,381 1.419,382 1.458,384 3.154,385 1.391,386 2.268,387 1.35,388 3.618,389 1.952,390 1.056,391 1.192,393 2.595,394 0.946,395 2.144,396 1.256,397 3.597,398 1.896,399 1,400 1.051,402 2.193,403 0.877,404 2,405 1.191,406 3.496,407 1.675,408 0.78,409 1,411 2.136,412 0.676,413 1.618,414 0.618,415 3.247,416 1.618,417 0.618,418 0.618,420 1.464,421 0.618,422 1.029,423 0.53,424 3.206,425 0.741,426 -0.234,427 -0.265,428 -0.721,429 -0.223,430 0.784,431 -0.063,432 2.886,433 0.621,434 -0.415,435 -0.478,436 -1.163,437 -0.425,438 0.428,439 -0.36,440 2.404,441 0.248,442 -0.679,443 -0.729,445 -1.578,446 -0.628,447 0.138,448 -0.474,449 2.119,450 -0.149,451 -1,452 -1,454 -2.347,455 -0.846,457 -0.964,458 1.66,459 -0.158,460 -1.114,461 -1.227,463 -2.972,464 -1.036,465 9.8,466 0.49,467 0.5,468 0.025,469 19.5,470 0.975,471 6,472 0.3,473 13.5,474 0.675,475 21.183,476 1.059,477 22.6,478 0.565,479 9.699,480 0.485,481 2.946,482 0.147,483 6.811,484 0.341,485 0.034,486 0.051,487 0.245,493 0.708,494 1.345,495 0.754,496 1.052,497 0.496,498 1.022,499 0.994,500 1.064,501 0.819,502 0.917,503 0.61,504 0.92,505 0.919,506 1.053,507 0.907,508 0.969,509 0.902,510 1.06,511 0.584,512 1.107,513 1.195,514 1.209,515 0.71,516 0.991,517 1.302,518 0.844,519 1.193,520 0.939,521 1.86,522 0.852,523 1.476,524 1.306,525 1.648,526 1.481,527 1.885,528 1.368,529 1.33,530 1.246,531 1.413,532 1.364,533 1.699,534 1.29,535 1.232,536 0.823,537 0.825,538 0.799,539 1.342,540 1.036,541 4.5,542 0.005,543 2.222,544 1.639,545 1.227,546 0.706,547 0.291,548 0.15,549 0.058,550 0.021,551 3883,552 8414,553 2.213,554 50,555 8,556 8,560 4,564 1.619,565 2.124,566 2.983,567 -0.738,568 1,569 1,571 1,573 63.835,574 1.596,575 2.811,576 3.922,577 4.222,578 4.222,579 4.222,580 2.466,581 3.204,582 4.294,583 3.079,584 585.104,585 7.343,586 5720.33,587 1,588 1,590 1,591 212.877,592 1.336,593 4.268,594 0.196,595 0.002,596 0.065,597 0.053,598 0.044,599 0.031,600 0.016,601 0.011,602 0.005,603 0.003,604 0.426,605 0.67,606 1,607 0.432,608 86.725,609 0.007,610 -0.152,611 0.098,613 0.036,614 0.025,615 -0.035,616 0.041,617 0.102,618 0.077,619 0.009,620 0.071,621 -0.026,622 -0.039,623 0.01,624 -0.006,625 -0.039,626 -0.08,627 0.104,628 -0.111,629 0.004,630 -0.08,631 0.107,632 0.029,633 -0.036,634 0.196,635 -0.027,636 0.083,637 -0.156,638 0.083,639 -0.283,640 -0.163,641 -0.42,642 -0.299,643 -0.259,644 -0.366,645 -0.194,646 -0.236,647 -0.365,648 -0.333,649 -0.162,650 -0.315,651 0.018,652 0.032,653 -0.111,654 -0.028,655 0.014,656 -0.118,657 1.329,658 5.47,659 0.95,660 13.7,661 0.997,662 1.127,663 2.341,664 5.48,665 0.661,666 3.178,667 3.555,668 3.871,669 4.205,670 4.407,671 4.564,672 4.71,673 4.836,674 4.875,675 4.812,676 4.693,677 0.61,678 292.44,679 3.178,680 4.745,681 5.624,682 6.541,683 7.439,684 8.363,685 9.269,686 10.197,687 11.107,688 12.037,689 5,695 1,699 1,705 1,708 1,709 3,711 5,716 1,726 1,731 40,733 6,735 23,737 43,738 15,739 3,742 1,746 4,747 5,753 1,754 1,755 6,758 6,761 4,762 11,766 1,771 1,775 1,777 1,778 1,781 20,782 4,784 5,785 1,790 2,794 0.5,795 2,811 2,812 2,815 1,839 1,840 2,842 1,848 20,854 10,856 1,859 1,860 1,863 1,870 5,873 1,874 1,877 9.417,878 7.15,879 4.25,880 2.767,881 1.063,882 1.15,883 0.984,884 3.247,885 8.131,886 3.314,887 3.834,888 4.342,889 4.891,890 5.21,891 5.573,892 5.8,893 6.018,894 6.123,895 6.047,896 1,897 31,898 7.512,900 3.349,901 7.513,902 15.093,904 13.626,905 2.013,906 40.25,907 0.003,910 235.422,911 69.63,912 19.91,914 36.145,916 31.278,917 38.353,918 271.567,919 19.91,921 28.603,923 58.064,924 6.382,925 1.358,926 266.7,928 235.422,929 58.263,930 36.145,931 31.278,933 235.422,934 25.145,935 11,937 31.861,938 9.616,939 16.786,940 31.278,941 235.422,942 56.055,943 69.63,946 235.422,947 69.63,948 3.124,950 52.93,951 235.422,952 56.055,953 69.63,955 0.59,956 0.351,957 0.2,958 0.103,959 20,960 7,961 0.023,962 1,963 1,964 1.158,965 3.285,966 163.575,967 0.105,968 20,969 78.439,970 1,974 13.056,975 4.974,976 2.295,978 56.055,980 4.812,983 1.602,984 3.042,987 361.107,988 26.5,993 12.47,997 0.338,999 39.887,1000 45.072,1001 0.3,1002 0.528,1003 0.737,1004 0.793,1005 0.793,1006 0.793,1007 4.618,1008 1,1009 5.652,1010 2.595,1011 4.234,1012 4.516,1013 1.903,1014 6.555,1015 4.125,1016 5.802,1017 0.78,1018 7.266,1019 2.193,1020 4.007,1021 4.425,1022 0.325,1023 7.87,1024 3.904,1025 7.133,1026 0.618,1027 8.994,1028 2.136,1029 5.964,1030 6.59,1031 2.065,1032 10.926,1033 5.79,1034 8.499,1035 -0.234,1036 10.794,1037 1.464,1038 6.594,1039 7.357,1040 0.268,1041 13.058,1042 6.435,1043 9.904,1044 -0.415,1045 12.64,1046 -0.721,1047 8.045,1048 9.027,1049 2.377,1050 15.714,1051 7.842,1052 11.332,1053 -0.679,1054 14.516,1055 -1.163,1056 9.023,1057 10.153,1058 0.188,1059 18.117,1060 8.835,1061 12.777,1062 -1,1063 16.414,1064 -1.578,1065 10.305,1066 11.652,1067 2.77,1068 20.681,1069 10.097,1070 3.442,1071 -1.114,1072 18.327,1073 -2.347,1074 11.423,1075 12.934,1076 0.125,1077 23.178,1078 11.227,1079 3.003,1080 12.963,1081 20.251,1082 -2.972,1083 12.653,1084 14.374,1085 3.207,1086 25.725,1087 12.45,1088 2.592,1089 10.177,1090 22.183,1091 4.14,1092 13.828,1093 15.728,1094 0.082,1095 28.257,1096 13.634,1097 1.994,1098 8.531,1099 24.123,1100 3.346,1101 15.046,1102 17.148,1103 3.668,1104 30.806,1105 14.851,1106 1.684,1107 5.882,1108 26.068,1109 2.941,1110 16.246,1111 18.535,1112 0.054,1113 33.352,1114 16.058,1115 1.419,1116 4.252,1117 28.018,1118 2.431,1119 17.463,1120 19.95,1121 4.142,1122 35.906,1123 17.278,1124 1.056,1125 3.154,1126 29.972,1127 1.881,1128 18.676,1129 21.353,1130 0.035,1131 38.459,1132 18.495,1133 3621,1134 5440,1135 15.89,1136 26.421,1137 35.344,1138 36.466,1139 35.936,1140 35.103,1141 35.179,1142 40.12,1143 5.875,1144 106.695,1145 33.077,1146 5.579,1147 5.689,1148 7.069,1149 5.573,1150 5.442,1151 6.81,1152 2.555,1153 20.289,1154 5.422,1155 5.099,1156 1.537,1157 1.585,1158 1.562,1159 1.526,1160 1.53,1161 1.744,1162 0.255,1163 4.639,1164 1.438,1165 4.051,1166 4.08,1167 4.275,1168 3.998,1169 7.427,1170 3.966,1171 3.811,1172 3.863,1173 3.778,1174 3.709,1175 4.801,1176 3.674,1177 3.648,1178 3.686,1179 3.583,1180 3.481,1181 4.579,1182 3.484,1183 3.256,1184 3.296,1185 3.231,1186 3.103,1187 4.262,1188 3.081,1189 3.111,1190 3.206,1191 2.958,1192 2.941,1193 3.761,1194 2.91,1195 3.02,1196 3.072,1197 2.866,1198 2.862,1199 3.521,1200 2.845,1201 2.869,1202 2.979,1203 2.647,1204 2.671,1205 3.474,1206 2.635,1207 2.786,1208 2.858,1209 2.583,1210 2.5,1211 3.248,1212 2.519,1213 0.199,1214 0.163,1215 0.316,1216 0.193,1217 0.15,1218 4.579,1219 0.18,1220 3.757,1221 0.056,1222 7.267,1223 0.564,1224 4.435,1225 0.149,1226 3.442,1227 4.14,1228 1.277,1229 12.963,1230 3.422,1231 1.87,1232 1.843,1233 2.009,1234 1.982,1235 1.431,1236 1.992,1237 1.708,1238 1.654,1239 1.91,1240 1.947,1241 1.211,1242 1.943,1243 1.577,1244 1.507,1245 1.86,1246 1.751,1247 1.199,1248 1.793,1249 1.318,1250 1.307,1251 1.513,1252 1.452,1253 0.825,1254 1.469,1255 1.184,1256 1.139,1257 1.472,1258 1.399,1259 0.763,1260 1.429,1261 1.153,1262 1.064,1263 1.359,1264 1.376,1265 0.584,1266 1.393,1267 0.951,1268 0.914,1269 1.12,1270 1.168,1271 0.396,1272 1.192,1273 0.631,1274 0.545,1275 0.883,1276 0.856,1277 0.192,1278 0.919,1279 3.85,1281 5.209,1282 3.045,1283 6.767,1284 5.352,1285 8.418,1286 7.424,1287 10.119,1295 10.082,1297 5.389,1300 2.265,1301 0.25,1305 24.401,1306 63.835,1307 112.439,1308 156.877,1309 168.877,1310 168.877,1311 168.877,1312 29.615,1313 7.068,1314 42.43,1315 70.67,1316 22,1317 12.543,1318 2.807,1319 2.17,1320 26.137,1321 58,1322 53,1323 0.237,1324 149.012,1325 257.89,1326 355.349,1327 9567,1329 13.579,1330 0.679,1331 0.625,1332 13.933,1333 12.507,1334 9.758,1335 0.424,1336 0.367,1337 7.589,1338 8.975,1339 7.373,1340 5.975,1341 10.166,1342 8.431,1343 9.146,1344 0.269,1345 0.216,1346 9.762,1347 7.333,1348 7.948,1349 0.169,1350 0.131,1351 8.853,1352 6.163,1353 7.131,1354 0.108,1355 0.075,1356 8.019,1357 4.956,1358 5.445,1359 0.067,1360 0.043,1361 6.318,1362 3.481,1363 0.357,1364 65.188,1365 0.251,1366 19.53,1367 0.694,1368 114,1369 291.622,1370 150.242,1371 294.009,1372 403.03,1373 278,1374 138,1375 275.649,1376 173.811,1377 292.54,1378 439.44,1379 276,1380 5.615}
{0 CHEMBL512309,1 1.612,2 10.125,3 2.976,4 8.858,5 94.226,6 7.205,7 0.462,8 3.927,9 4.05,10 3.454,11 3.404,12 5.01,13 3.393,14 4.478,15 4.664,16 3.777,17 3.772,18 5.536,19 3.742,20 4.697,21 4.914,22 3.819,23 3.913,24 5.73,25 3.844,26 4.739,27 4.983,28 3.702,29 3.89,30 5.693,31 3.785,32 4.733,33 4.994,34 3.676,35 3.85,36 5.722,37 3.737,38 4.663,39 4.908,40 3.622,41 3.811,42 5.595,43 3.705,44 4.691,45 4.948,46 3.546,47 3.744,48 5.655,49 3.64,50 4.613,51 4.884,52 3.466,53 3.614,54 5.642,55 3.506,56 0.057,57 0.73,58 10.057,59 4.213,60 9.257,61 5.582,62 0.281,63 1.143,64 19.42,65 6.605,66 26.653,67 9.093,68 0.407,69 1.383,70 24.922,71 8.207,72 38.708,73 11.603,74 0.309,75 1.356,76 26.243,77 8.582,78 37.675,79 12.674,80 0.574,81 1.298,82 27.022,83 8.567,84 54.817,85 12.66,86 0.344,87 1.175,88 24.58,89 8.317,90 39.787,91 12.024,92 0.41,93 1.149,94 26.155,95 8.077,96 53.236,97 11.64,98 0.624,99 1.009,100 25.093,101 7.489,102 60.739,103 10.896,104 11,105 35,106 0.28,107 0.628,108 0.807,109 0.851,110 0.851,111 0.851,112 3.228,113 0.933,114 -3.64,115 -3.61,116 -3.44,119 39.1,120 1,125 6,142 5,143 2,144 2,146 1,147 1,172 5,174 1,175 3,180 3,183 4,186 1,187 2,190 1,192 6,195 3,199 1,204 1,207 1,211 1,212 3,215 3,217 1,220 2,224 4,228 1,232 5,237 3,245 5,250 3,253 2,255 2,258 3,268 3,275 842,276 16.317,277 16.317,278 16.317,279 16.317,280 16.317,281 14.817,282 27.105,283 9.76,284 16.781,285 12.793,286 12.793,287 12.793,288 12.793,289 12.793,290 10.443,291 42.268,292 4.605,293 13.561,294 3.911,295 1.909,296 0.877,297 0.625,298 0.625,299 0.625,300 3.911,303 1,304 1,305 1,306 517,307 2.55,311 242.131,318 1.385,319 26.413,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 53,331 243,332 4.273,333 3.195,334 6.209,335 3.904,336 2.958,337 3.896,338 0.86,339 9.363,340 2.814,341 4.22,342 3.094,343 6.059,344 3.823,345 2.85,346 3.861,347 0.8,348 8.708,349 2.765,350 3.669,351 2.813,352 5.504,353 3.432,354 2.482,355 2.876,356 0.765,357 7.366,358 2.346,359 3.475,360 2.655,361 5.01,362 3.104,363 2.16,364 2.779,365 0.657,366 5.989,367 2.037,368 3.343,369 2.419,370 4.938,371 2.98,372 2.027,373 2.598,375 5.74,376 1.907,377 2.898,378 2.265,379 4.375,380 2.65,381 1.742,382 1.982,384 4.29,385 1.576,386 2.842,387 1.71,388 4.168,389 2.452,390 1.468,391 1.937,393 3.758,394 1.444,395 2.209,396 1.461,397 3.494,398 1.97,399 1.09,400 1.189,402 2.625,403 0.952,404 2,405 1.256,406 3.27,407 1.952,408 1,409 1,411 2.136,412 0.946,413 1.965,414 1.028,415 3.247,416 1.694,417 0.755,418 0.886,420 1.769,421 0.705,422 1.584,423 0.946,424 2.818,425 1.313,426 0.431,427 0.482,428 0.638,429 0.375,430 1.26,431 0.404,432 2.646,433 0.95,438 0.806,439 0.009,440 2.477,441 0.461,442 -0.49,443 -0.565,445 -1.242,446 -0.459,447 0.787,448 -0.315,449 2.359,450 0.428,451 -0.514,452 -0.621,454 -1.251,455 -0.473,456 0.695,457 -0.36,458 2.048,459 0.295,460 -0.638,461 -0.804,463 -1.634,464 -0.598,465 11.152,466 0.465,467 0.52,468 0.022,469 28.75,470 1.198,471 13,472 0.542,473 15.75,474 0.656,475 19.596,476 0.816,477 27.248,478 0.592,479 20.521,480 0.855,481 5.946,482 0.248,483 5.706,484 0.238,485 0.1,487 0.305,491 1,493 0.799,494 1.272,495 0.814,496 1.185,497 0.706,498 1.035,499 1.051,500 1.053,501 0.939,502 0.956,503 0.72,504 0.926,505 0.977,506 1.085,507 1.064,508 1.042,509 0.818,510 1.059,511 0.782,512 1.108,513 1.029,514 1.134,515 0.771,516 1.125,517 0.686,518 0.803,519 0.963,520 0.933,521 0.759,522 0.987,523 0.753,524 0.924,525 0.953,526 1.046,527 0.707,528 1.042,529 1.053,530 0.895,531 1.037,532 0.978,533 1.084,534 0.993,535 0.91,536 0.637,537 0.856,538 0.724,539 0.782,540 0.778,541 5,542 0.107,543 2.222,544 1.313,545 1.218,546 0.715,547 0.245,548 0.377,549 0.254,550 0.136,551 6364,552 18038,553 2.064,554 47.8,555 3,556 17,559 2,564 1.67,565 1.946,566 3.314,567 0.296,568 1,569 1,573 74.163,574 1.612,575 3.614,576 4.646,577 4.898,578 4.898,579 4.898,580 2.694,581 4.418,582 4.558,583 3.446,584 951.091,585 7.87,586 11340.8,588 1,590 1,591 254.084,592 1.347,593 4.522,594 0.192,595 0.008,596 0.063,597 0.038,598 0.041,599 0.025,600 0.009,601 0.015,602 0.011,603 0.007,604 0.408,605 0.5,606 1,607 0.757,608 114.467,609 -0.064,610 -0.162,611 0.038,612 -0.057,613 -0.072,615 -0.127,616 -0.044,617 -0.008,618 0.056,619 -0.022,620 0.048,621 -0.087,622 -0.039,623 -0.122,624 -0.052,625 -0.044,626 -0.088,627 -0.069,628 -0.166,629 -0.102,630 -0.159,631 -0.055,632 -0.139,633 0.118,634 0.16,635 -0.007,636 0.023,637 0.035,638 -0.012,639 -0.01,640 -0.056,641 -0.02,642 -0.061,643 -0.007,644 -0.045,645 -0.117,646 -0.022,647 -0.058,648 -0.033,649 -0.116,650 -0.026,651 0.105,652 0.131,653 0.151,654 0.201,655 0.103,656 0.184,657 1.909,658 5.185,659 0.75,660 19.75,661 1.007,662 1.139,663 2.409,664 5.805,665 0.641,666 3.296,667 3.584,668 3.807,669 4.025,670 4.248,671 4.22,672 4.263,673 4.344,674 4.407,675 4.443,676 5.989,677 0.612,678 331.43,679 3.296,680 4.812,681 5.638,682 6.494,683 7.336,684 8.196,685 9.044,686 9.905,687 10.756,688 11.617,689 6.5,694 1,695 1,699 1,704 5,705 1,709 6,711 12,724 1,726 1,730 1,731 46,733 12,734 1,735 26,737 48,738 18,739 11,740 3,741 3,746 3,747 3,752 2,761 11,762 7,777 1,778 1,779 1,781 22,782 6,783 2,784 6,790 3,794 1,795 2,796 1,805 1,812 3,838 1,839 1,840 3,844 1,846 1,848 24,853 1,854 6,855 1,856 1,859 1,869 1,870 4.3,871 1,874 1,877 12.333,878 8.326,879 5.389,880 2.68,881 2.222,882 1.322,883 0.948,884 5.536,885 9.117,886 3.497,887 4.043,888 4.543,889 5.045,890 5.537,891 5.598,892 5.725,893 5.965,894 6.29,895 6.618,896 0.857,897 35,898 8.894,900 3.715,901 7.833,902 17.002,904 13.711,905 2.333,906 56,909 1,910 235.422,911 95.042,912 37.921,914 53.683,915 14.96,917 95.042,918 289.105,919 52.881,920 8.825,921 15.502,922 90.065,923 45.796,924 24.13,925 17.288,926 235.422,928 235.422,929 132.963,930 68.643,933 250.382,935 53.683,937 27.084,938 71.082,939 34.796,941 250.382,942 91.604,943 95.042,946 235.422,947 38.835,948 59.331,949 18.011,950 85.429,951 235.422,952 106.564,953 95.042,955 0.571,956 0.33,957 0.175,958 0.099,959 16,960 7,961 0.104,962 5,964 1,965 3.646,966 187.951,968 18,969 106.039,974 16.994,975 7.818,976 4.379,978 106.564,979 8.461,980 4.69,984 4.013,986 60.694,987 437.028,988 32,999 46.309,1000 52.405,1001 0.292,1002 0.654,1003 0.841,1004 0.887,1005 0.887,1006 0.887,1007 4.718,1008 1.09,1009 5.602,1010 3.758,1011 4.263,1012 4.727,1013 1.7,1014 6.354,1015 4.156,1016 5.89,1017 1,1018 7.124,1019 2.625,1020 3.761,1021 4.477,1022 0.325,1023 7.111,1024 3.617,1025 7.175,1026 0.755,1027 8.74,1028 2.136,1029 5.802,1030 6.842,1031 1.284,1032 10.167,1033 5.608,1034 8.491,1035 0.431,1036 10.411,1037 1.769,1038 6.089,1039 7.363,1040 0.268,1041 11.717,1042 5.858,1043 9.837,1045 12.116,1046 0.638,1047 7.593,1048 9.232,1049 0.971,1050 14.271,1051 7.319,1052 11.202,1053 -0.49,1054 13.845,1056 8.263,1057 10.123,1058 0.188,1059 16.171,1060 7.951,1061 12.583,1062 -0.514,1063 15.591,1064 -1.242,1065 9.529,1066 11.764,1067 0.728,1068 18.528,1069 9.176,1070 2.958,1071 -0.638,1072 17.349,1073 -1.251,1074 10.396,1075 12.855,1076 0.125,1077 20.593,1078 10.003,1079 2.85,1080 9.363,1081 19.118,1082 -1.634,1083 11.551,1084 14.376,1085 0.541,1086 22.867,1087 11.118,1088 2.482,1089 8.708,1090 20.894,1091 3.896,1092 12.517,1093 15.578,1094 0.082,1095 25.01,1096 12.043,1097 2.16,1098 7.366,1099 22.676,1100 3.861,1101 13.623,1102 17.032,1103 0.398,1104 27.25,1105 13.108,1106 2.027,1107 5.989,1108 24.464,1109 2.876,1110 14.64,1111 18.298,1112 0.054,1113 29.432,1114 14.083,1115 1.742,1116 5.74,1117 26.256,1118 2.779,1119 15.723,1120 19.712,1121 0.292,1122 31.658,1123 15.125,1124 1.468,1125 4.29,1126 28.052,1127 2.598,1128 16.766,1129 21.015,1130 0.035,1131 33.859,1132 16.125,1133 6204,1134 10527,1135 17.394,1136 29.478,1137 37.938,1138 38.988,1139 38.955,1140 37.926,1141 37.927,1142 46.97,1143 6.164,1144 104.765,1145 35.733,1146 5.273,1147 5.195,1148 6.011,1149 5.008,1150 4.958,1151 6.896,1152 1.72,1153 15.639,1154 4.814,1155 10.904,1156 1.459,1157 1.5,1158 1.498,1159 1.459,1160 1.459,1161 1.807,1162 0.237,1163 4.029,1164 1.374,1165 3.994,1166 4.035,1167 3.94,1168 3.887,1169 8.201,1170 3.893,1171 3.9,1172 3.934,1173 3.849,1174 3.802,1175 6.457,1176 3.809,1177 3.696,1178 3.745,1179 3.577,1180 3.494,1181 4.858,1182 3.506,1183 3.348,1184 3.417,1185 3.227,1186 3.145,1187 4.657,1188 3.152,1189 3.181,1190 3.264,1191 3.032,1192 3.021,1193 4.587,1194 3.002,1195 3.125,1196 3.206,1197 2.969,1198 2.941,1199 4.007,1200 2.91,1201 3.111,1202 3.186,1203 2.866,1204 2.854,1205 3.868,1206 2.878,1207 2.894,1208 2.952,1209 2.797,1210 2.722,1211 3.831,1212 2.73,1213 0.164,1214 0.123,1215 0.239,1216 0.15,1217 0.114,1218 4.273,1219 0.15,1220 3.195,1221 0.033,1222 6.209,1223 0.36,1224 3.904,1225 0.108,1226 2.958,1227 3.896,1228 0.86,1229 9.363,1230 2.814,1231 1.929,1232 1.897,1233 2.035,1234 2.067,1235 1.229,1236 2.058,1237 1.871,1238 1.839,1239 1.985,1240 1.998,1241 1.148,1242 1.997,1243 1.644,1244 1.59,1245 1.859,1246 1.862,1247 1.064,1248 1.863,1249 1.301,1250 1.235,1251 1.563,1252 1.554,1253 0.825,1254 1.556,1255 1.202,1256 1.123,1257 1.525,1258 1.419,1259 0.752,1260 1.462,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.586,1266 1.429,1267 1.028,1268 0.967,1269 1.296,1270 1.348,1271 0.399,1272 1.33,1273 0.84,1274 0.788,1275 1.085,1276 1.091,1277 0.211,1278 1.086,1279 3.97,1281 5.263,1283 6.753,1285 8.332,1287 9.953,1289 1.863,1291 13.185,1294 9.512,1295 3.457,1296 3.284,1297 5.374,1300 2.162,1305 28.145,1306 74.163,1307 166.261,1308 213.719,1309 225.329,1310 225.329,1311 225.329,1312 41.39,1313 6.895,1314 57.62,1315 57.62,1316 18,1317 12.169,1318 3.7,1319 2.807,1320 39.224,1321 85,1322 86,1323 0.222,1324 173.262,1325 301.89,1326 414.518,1327 8547,1328 2.2,1329 16.941,1330 0.706,1331 0.573,1332 16.071,1333 13.757,1334 11.652,1335 0.448,1336 0.311,1337 7.939,1338 11.078,1339 7.751,1340 6.381,1341 11.258,1342 8.089,1343 10.239,1344 0.293,1345 0.168,1346 9.605,1347 5.895,1348 8.388,1349 0.191,1350 0.093,1351 8.068,1352 4.091,1353 6.783,1354 0.123,1355 0.051,1356 6.448,1357 2.781,1358 5.506,1359 0.08,1360 0.027,1361 5.308,1362 1.834,1363 0.347,1364 73.924,1365 0.24,1366 23.488,1367 0.611,1368 122,1369 409.619,1370 136.393,1371 363.395,1372 483.64,1373 342,1374 140,1375 336.809,1376 154.029,1377 335.643,1378 488.69,1379 315,1380 4.699}
{0 CHEMBL512311,1 1.636,2 10.125,3 3.34,4 11.157,5 94.001,6 7.487,7 0.462,8 3.882,9 4.002,10 3.448,11 3.385,12 5.002,13 3.378,14 4.432,15 4.612,16 3.771,17 3.746,18 5.515,19 3.723,20 4.654,21 4.865,22 3.813,23 3.884,24 5.727,25 3.824,26 4.689,27 4.928,28 3.693,29 3.852,30 5.69,31 3.758,32 4.671,33 4.926,34 3.664,35 3.808,36 5.717,37 3.705,38 4.585,39 4.821,40 3.607,41 3.762,42 5.589,43 3.667,44 4.574,45 4.813,46 3.53,47 3.667,48 5.648,49 3.586,50 4.464,51 4.715,52 3.447,53 3.519,54 5.62,55 3.44,56 0.048,57 0.707,58 8.874,59 4.002,60 8.035,61 5.148,62 0.278,63 1.112,64 17.772,65 6.301,66 25.805,67 8.369,68 0.425,69 1.353,70 23.226,71 7.846,72 40.151,73 10.681,74 0.332,75 1.321,76 24.574,77 8.208,78 42.973,79 11.76,80 0.565,81 1.258,82 25.167,83 8.268,84 57.504,85 11.866,86 0.333,87 1.116,88 22.377,89 7.999,90 44.732,91 11.161,92 0.401,93 1.074,94 22.842,95 7.281,96 59.461,97 9.979,98 0.585,99 0.927,100 21.367,101 6.516,102 62.631,103 9.108,104 11,105 35,106 0.286,107 0.639,108 0.801,109 0.847,110 0.847,111 0.847,112 3.228,113 0.917,114 -3.83,115 -3.79,116 -3.6,119 40.9,120 1,125 5,142 5,143 2,144 2,146 1,147 1,155 1,172 5,174 1,175 4,180 2,183 4,186 1,187 4,190 1,192 4,195 3,199 1,204 1,207 1,211 3,212 3,215 1,217 1,220 2,224 4,227 1,232 5,237 3,245 5,249 1,250 5,253 1,258 3,263 3,275 842,276 16.317,277 16.317,278 16.317,279 16.317,280 16.317,281 14.764,282 23.034,283 9.76,284 16.743,285 12.793,286 12.793,287 12.793,288 12.793,289 12.793,290 10.337,291 33.486,292 4.605,293 13.478,294 3.824,295 1.801,296 0.872,297 0.608,298 0.608,299 0.608,300 3.911,303 1,304 1,305 1,306 517,307 2.55,311 242.131,318 1.385,319 27.521,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53,331 243,332 4.278,333 3.201,334 6.209,335 3.906,336 2.958,337 3.905,338 0.86,339 9.363,340 2.821,341 4.221,342 3.094,343 6.059,344 3.823,345 2.85,346 3.867,347 0.8,348 8.708,349 2.769,350 3.681,351 2.942,352 5.504,353 3.437,354 2.482,355 2.895,356 0.657,357 7.366,358 2.358,359 3.486,360 2.727,361 5.01,362 3.113,363 2.16,364 2.79,366 5.989,367 2.064,368 3.379,369 2.564,370 4.938,371 2.988,372 2.027,373 2.651,375 5.74,376 1.914,377 2.905,378 2.272,379 4.375,380 2.653,381 1.742,382 1.984,384 4.29,385 1.581,386 2.842,387 1.868,388 4.168,389 2.453,390 1.468,391 1.941,393 3.758,394 1.444,395 2.265,396 1.663,397 3.494,398 1.976,399 1.09,400 1.195,402 2.625,403 0.957,404 2.172,405 1.37,406 3.27,407 1.952,408 1,409 1,411 2.136,412 0.946,413 2,414 1.256,415 3.247,416 1.699,417 0.755,418 0.892,420 1.769,421 0.707,422 1.962,423 0.992,424 2.818,425 1.534,426 0.431,427 0.715,428 0.638,429 0.47,430 1.261,431 0.405,432 2.646,433 0.95,438 0.828,439 0.009,440 2.477,441 0.463,442 -0.49,443 -0.566,445 -1.242,446 -0.461,447 0.803,448 -0.316,449 2.359,450 0.431,451 -0.514,452 -0.621,454 -1.251,455 -0.473,456 0.76,457 -0.36,458 2.048,459 0.33,460 -0.638,461 -0.828,463 -1.634,464 -0.615,465 11.152,466 0.465,467 0.52,468 0.022,469 30.25,470 1.26,471 14.5,472 0.604,473 15.75,474 0.656,475 18.296,476 0.762,477 26.648,478 0.606,479 21.821,480 0.909,481 6.282,482 0.262,483 5.37,484 0.224,485 0.1,487 0.305,491 1,493 0.682,494 1.257,495 0.752,496 1.178,497 0.523,498 1.016,499 0.997,500 1.038,501 0.911,502 0.94,503 0.631,504 0.908,505 0.991,506 1.064,507 1.073,508 1.019,509 0.781,510 1.047,511 0.797,512 1.084,513 1.03,514 1.106,515 0.789,516 1.107,517 0.671,518 0.788,519 0.942,520 0.918,521 0.747,522 0.972,523 0.731,524 0.921,525 0.915,526 1.045,527 0.78,528 1.03,529 1.137,530 0.913,531 1.074,532 0.986,533 1.283,534 1.003,535 0.966,536 0.648,537 0.881,538 0.717,539 0.974,540 0.776,541 5,542 0.107,543 2.222,544 1.313,545 1.218,546 0.715,547 0.245,548 0.377,549 0.254,550 0.136,551 6364,552 18981,553 2.064,554 45.5,555 3,556 15,558 1,559 1,564 1.67,565 1.946,566 3.314,567 -0.301,568 1,569 1,571 1,573 71.963,574 1.636,575 3.659,576 4.588,577 4.851,578 4.851,579 4.851,580 2.694,581 4.418,582 4.558,583 3.446,584 951.091,585 7.87,586 11340.8,588 1,590 1,591 240.215,592 1.347,593 4.522,594 0.192,595 0.008,596 0.063,597 0.038,598 0.041,599 0.025,600 0.009,601 0.015,602 0.011,603 0.007,604 0.408,605 0.5,606 1,607 0.757,608 114.467,609 -0.034,610 -0.18,611 0.049,612 -0.091,613 -0.013,614 -0.019,615 -0.119,616 -0.045,617 -0.006,618 0.048,619 -0.01,620 0.045,621 -0.099,622 -0.031,623 -0.14,624 -0.049,625 -0.046,626 -0.094,627 -0.076,628 -0.155,629 -0.1,630 -0.146,631 -0.054,632 -0.129,633 0.132,634 0.166,635 0.02,636 0.039,637 0.04,638 0.01,639 0.009,640 -0.071,641 0.019,642 -0.054,643 -0.017,644 -0.024,645 -0.149,646 -0.02,647 -0.089,648 -0.036,649 -0.163,650 -0.04,651 0.102,652 0.154,653 0.14,654 0.219,655 0.079,656 0.189,657 1.922,658 5.174,659 0.75,660 19.75,661 1.01,662 1.136,663 2.598,664 6.748,665 0.653,666 3.296,667 3.584,668 3.807,669 4.025,670 4.248,671 4.22,672 4.263,673 4.344,674 4.407,675 4.443,676 5.989,677 0.628,678 329.41,679 3.296,680 4.812,681 5.638,682 6.494,683 7.336,684 8.196,685 9.044,686 9.905,687 10.756,688 11.617,689 6.8,694 1,695 1,699 1,704 5,705 1,709 6,711 12,712 1,724 1,726 1,730 1,731 44,733 13,734 1,735 26,737 46,738 18,739 11,740 3,741 3,742 1,746 3,747 3,752 1,761 12,762 6,766 1,771 1,773 1,777 1,778 1,779 1,781 20,782 6,783 1,784 6,790 3,794 1,795 2,805 1,812 3,839 1,840 3,844 1,846 1,848 24,854 5,855 1,856 1,859 1,869 1,870 4.5,873 1,874 1,877 12.333,878 8.126,879 5.389,880 2.594,881 2.28,882 1.331,883 0.972,884 5.313,885 9.175,886 3.526,887 4.06,888 4.575,889 5.074,890 5.58,891 5.659,892 5.825,893 6.03,894 6.35,895 6.677,896 0.857,897 35,898 8.881,900 3.718,901 7.896,902 16.863,904 13.56,905 2.396,906 57.5,909 1,910 223.651,911 106.466,912 37.921,914 36.145,915 14.96,917 106.466,918 259.796,919 52.881,920 8.825,921 15.502,922 47.381,923 94.136,924 24.13,925 17.288,926 211.88,928 223.651,929 144.387,930 51.105,933 238.611,934 25.145,935 11,937 27.084,938 71.082,939 46.22,941 238.611,942 74.065,943 106.466,946 223.651,947 38.835,948 70.755,949 18.011,950 67.89,951 223.651,952 89.026,953 106.466,955 0.571,956 0.33,957 0.175,958 0.099,959 16,960 7,961 0.109,962 5,964 1,965 3.646,966 187.951,968 18,969 106.039,974 16.718,975 7.626,976 4.25,978 89.026,979 8.172,980 4.642,984 3.575,986 18.011,987 419.143,988 33,993 11.226,995 0.832,999 44.425,1000 49.99,1001 0.3,1002 0.67,1003 0.84,1004 0.889,1005 0.889,1006 0.889,1007 4.745,1008 1.09,1009 5.602,1010 3.758,1011 4.263,1012 4.745,1013 1.459,1014 6.354,1015 4.168,1016 5.918,1017 1,1018 7.124,1019 2.625,1020 3.761,1021 4.477,1022 0.325,1023 7.111,1024 3.617,1025 7.198,1026 0.755,1027 8.74,1028 2.136,1029 5.802,1030 6.861,1031 1.074,1032 10.167,1033 5.626,1034 8.511,1035 0.431,1036 10.411,1037 1.769,1038 6.089,1039 7.378,1040 0.268,1041 11.717,1042 5.87,1043 9.855,1045 12.116,1046 0.638,1047 7.593,1048 9.251,1049 0.807,1050 14.271,1051 7.339,1052 11.22,1053 -0.49,1054 13.845,1056 8.263,1057 10.143,1058 0.188,1059 16.171,1060 7.969,1061 12.6,1062 -0.514,1063 15.591,1064 -1.242,1065 9.529,1066 11.785,1067 0.608,1068 18.528,1069 9.198,1070 2.958,1071 -0.638,1072 17.349,1073 -1.251,1074 10.396,1075 12.878,1076 0.125,1077 20.593,1078 10.025,1079 2.85,1080 9.363,1081 19.118,1082 -1.634,1083 11.551,1084 14.399,1085 0.458,1086 22.867,1087 11.143,1088 2.482,1089 8.708,1090 20.894,1091 3.905,1092 12.517,1093 15.604,1094 0.082,1095 25.01,1096 12.068,1097 2.16,1098 7.366,1099 22.676,1100 3.867,1101 13.623,1102 17.058,1103 0.343,1104 27.25,1105 13.136,1106 2.027,1107 5.989,1108 24.464,1109 2.895,1110 14.64,1111 18.326,1112 0.054,1113 29.432,1114 14.111,1115 1.742,1116 5.74,1117 26.256,1118 2.79,1119 15.723,1120 19.741,1121 0.256,1122 31.658,1123 15.155,1124 1.468,1125 4.29,1126 28.052,1127 2.651,1128 16.766,1129 21.047,1130 0.035,1131 33.859,1132 16.156,1133 6204,1134 10803,1135 17.394,1136 28.716,1137 38.461,1138 40.408,1139 38.955,1140 38.086,1141 37.927,1142 47.67,1143 4.635,1144 104.765,1145 36.061,1146 5.278,1147 5.201,1148 6.011,1149 5.01,1150 4.958,1151 6.905,1152 1.72,1153 15.639,1154 4.821,1155 10.904,1156 1.479,1157 1.554,1158 1.498,1159 1.465,1160 1.459,1161 1.833,1162 0.178,1163 4.029,1164 1.387,1165 3.993,1166 4.034,1167 3.943,1168 3.887,1169 8.201,1170 3.894,1171 3.9,1172 3.934,1173 3.852,1174 3.802,1175 7.452,1176 3.81,1177 3.696,1178 3.744,1179 3.581,1180 3.494,1181 4.857,1182 3.507,1183 3.345,1184 3.405,1185 3.248,1186 3.142,1187 4.656,1188 3.155,1189 3.18,1190 3.263,1191 3.056,1192 3.021,1193 4.586,1194 3.002,1195 3.111,1196 3.206,1197 2.974,1198 2.941,1199 4.006,1200 2.91,1201 3.11,1202 3.149,1203 2.866,1204 2.84,1205 3.868,1206 2.88,1207 2.892,1208 2.949,1209 2.798,1210 2.722,1211 3.819,1212 2.73,1213 0.165,1214 0.123,1215 0.239,1216 0.15,1217 0.114,1218 4.278,1219 0.15,1220 3.201,1221 0.033,1222 6.209,1223 0.36,1224 3.906,1225 0.108,1226 2.958,1227 3.905,1228 0.86,1229 9.363,1230 2.821,1231 1.928,1232 1.897,1233 2.032,1234 2.065,1235 1.221,1236 2.055,1237 1.869,1238 1.839,1239 1.979,1240 1.997,1241 1.146,1242 1.996,1243 1.642,1244 1.589,1245 1.85,1246 1.857,1247 1.021,1248 1.856,1249 1.287,1250 1.227,1251 1.546,1252 1.529,1253 0.825,1254 1.527,1255 1.202,1256 1.123,1257 1.513,1258 1.419,1259 0.676,1260 1.462,1261 1.153,1262 1.064,1263 1.506,1264 1.376,1265 0.585,1266 1.429,1267 0.98,1268 0.941,1269 1.177,1270 1.291,1271 0.27,1272 1.251,1273 0.838,1274 0.787,1275 1.075,1276 1.079,1277 0.126,1278 1.073,1279 3.97,1281 5.263,1283 6.753,1285 8.332,1287 9.953,1289 1.847,1291 13.174,1295 3.314,1296 3.25,1297 5.354,1300 2.114,1305 27.618,1306 71.963,1307 160.99,1308 201.85,1309 213.46,1310 213.46,1311 213.46,1312 42.311,1313 6.895,1314 54.46,1315 54.46,1316 18,1317 12.169,1318 3.807,1319 3,1320 39.224,1321 85,1322 86,1323 0.222,1324 170.334,1325 299.25,1326 407.375,1327 8547,1328 2.3,1329 16.941,1330 0.706,1331 0.566,1332 16.071,1333 13.589,1334 11.652,1335 0.448,1336 0.306,1337 7.799,1338 11.078,1339 7.616,1340 6.276,1341 11.258,1342 7.944,1343 10.239,1344 0.293,1345 0.165,1346 9.605,1347 5.78,1348 8.388,1349 0.191,1350 0.091,1351 8.068,1352 4.007,1353 6.783,1354 0.123,1355 0.049,1356 6.448,1357 2.719,1358 5.506,1359 0.08,1360 0.026,1361 5.308,1362 1.783,1363 0.347,1364 73.924,1365 0.24,1366 23.488,1367 0.611,1368 122,1369 429.205,1370 136.393,1371 381.775,1372 504.85,1373 358,1374 140,1375 350.021,1376 154.029,1377 348.879,1378 505.25,1379 327,1380 4}
{0 CHEMBL512440,1 1.69,2 10.107,3 2.853,4 8.137,5 109.424,6 8.072,7 0.5,8 4.026,9 4.139,10 3.717,11 3.588,12 5.094,13 3.559,14 4.59,15 4.759,16 4.177,17 4.016,18 5.63,19 3.983,20 4.813,21 4.99,22 4.21,23 4.177,24 5.837,25 4.1,26 4.931,27 5.16,28 4.158,29 4.198,30 5.918,31 4.07,32 4.756,33 4.956,34 4.07,35 4.054,36 5.814,37 3.949,38 4.591,39 4.766,40 3.928,41 3.975,42 5.547,43 3.868,44 4.624,45 4.818,46 3.919,47 3.91,48 5.651,49 3.84,50 4.69,51 4.905,52 3.847,53 3.885,54 5.738,55 3.788,56 0.059,57 0.79,58 9.692,59 4.519,60 6.882,61 5.506,62 0.289,63 1.324,64 21.268,65 7.453,66 22.273,67 9.535,68 0.404,69 1.581,70 27.04,71 9.565,72 32.428,73 11.849,74 0.356,75 1.67,76 37.529,77 13.353,78 40.651,79 16.685,80 0.569,81 1.45,82 30.661,83 9.734,84 54.826,85 11.364,86 0.209,87 1.279,88 26.499,89 9.63,90 14.089,91 11.175,92 0.361,93 1.231,94 22.843,95 8.184,96 30.282,97 10.269,98 0.544,99 1.286,100 27.161,101 8.649,102 48.786,103 11.135,104 17,105 49,106 0.284,107 0.672,108 0.83,109 0.846,110 0.846,111 0.846,112 3.376,113 0.944,114 -3.78,115 -3.74,116 -3.56,119 40.8,120 2,121 1,124 1,125 2,130 1,142 3,143 2,144 2,145 1,146 1,151 1,152 1,158 1,162 1,166 1,172 4,174 1,175 7,178 1,180 3,183 7,186 1,187 7,192 1,195 3,198 1,199 14,202 1,207 1,211 2,212 6,215 1,220 4,223 2,224 4,232 3,236 2,237 2,242 1,245 2,249 3,250 4,253 1,255 2,258 4,263 4,268 2,271 4,275 1184,276 18.635,277 18.635,278 18.635,279 18.635,280 18.635,281 16.691,282 27.184,283 10.515,284 19.201,285 15.834,286 15.834,287 15.834,288 15.834,289 15.834,290 12.71,291 42.03,292 5.041,293 16.824,294 3.924,295 1.612,296 0.674,297 0.577,298 0.577,299 0.577,300 4.082,304 1,305 1,306 631,307 2.828,310 115.747,311 196.056,314 98.567,315 109.287,318 1.551,319 23.742,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 283,332 4.567,333 3.726,334 6.881,335 4.307,336 3.349,337 4.18,338 1.058,339 11.552,340 3.216,341 4.417,342 3.407,343 6.713,344 4.102,345 3.157,346 4.051,347 0.86,348 10.944,349 3.001,350 4.177,351 3.134,352 6.321,353 3.845,354 2.892,355 3.696,356 0.8,357 9.589,358 2.739,359 4.02,360 2.922,361 6.149,362 3.699,363 2.748,364 3.205,366 9.067,367 2.603,368 3.646,369 2.802,370 5.686,371 3.277,372 2.335,373 2.921,375 7.488,376 2.187,377 3.492,378 2.468,379 5.118,380 3.096,381 2.146,382 2.767,384 6.052,385 2.03,386 3.244,387 2.298,388 5.047,389 2.901,390 1.928,391 2.396,393 5.844,394 1.857,395 2.829,396 1.829,397 4.584,398 2.424,399 1.497,400 1.949,402 4.382,403 1.379,404 2.727,405 1.586,406 4.176,407 2.334,408 1.412,409 1.807,411 3.664,412 1.291,413 2.465,414 1.291,415 3.944,416 2.173,417 1.207,418 1.459,420 3.127,421 1.158,422 2.31,423 1.247,424 3.793,425 1.725,426 0.849,427 1.176,428 2.39,429 0.723,430 2.185,431 0.922,432 3.377,433 1.655,434 0.735,435 1.038,436 1.862,437 0.668,438 1.988,439 0.692,440 3.268,441 1.59,442 0.657,443 0.868,445 1.65,446 0.609,447 1.049,448 0.457,449 3.227,450 0.765,451 -0.197,452 -0.228,454 -0.573,455 -0.188,456 0.976,457 0.005,458 2.794,459 0.621,460 -0.333,461 -0.395,463 -0.956,464 -0.31,465 13.5,466 0.482,467 0.95,468 0.034,469 35.75,470 1.277,471 16.5,472 0.589,473 19.25,474 0.688,475 26.383,476 0.942,477 29.7,478 0.606,479 25.306,480 0.904,481 6.58,482 0.235,483 6.814,484 0.243,485 0.136,486 0.037,487 0.356,493 0.764,494 1.296,495 0.705,496 0.988,497 0.617,498 0.914,499 0.95,500 1.076,501 0.699,502 0.808,503 0.563,504 0.719,505 1.183,506 1.056,507 1.016,508 0.999,509 1.04,510 1.046,511 0.729,512 1.078,513 1.048,514 1.134,515 0.745,516 0.979,517 1.368,518 0.89,519 1.293,520 0.993,521 1.856,522 0.971,523 0.839,524 1.236,525 1.487,526 1.502,527 0.628,528 1.223,529 1.185,530 1.035,531 0.937,532 0.953,533 1.169,534 0.986,535 1.126,536 0.959,537 1.077,538 1.046,539 1.234,540 1.067,541 7.5,542 0.171,543 3.778,544 2.479,545 2.002,546 1.098,547 0.635,548 0.507,549 0.424,550 0.242,551 9692,552 24917,553 2.146,554 42.9,556 10,557 1,558 1,559 1,560 2,561 6,564 1.713,565 1.988,566 3.327,567 -0.288,568 1,569 1,573 82.834,574 1.69,575 4.003,576 4.941,577 5.038,578 5.038,579 5.038,580 2.74,581 4.379,582 4.78,583 3.463,584 1308.86,585 8.327,586 16587.4,588 1,590 1,591 275.121,592 1.617,593 4.726,594 0.234,595 0.011,596 0.077,597 0.053,598 0.044,599 0.028,600 0.017,601 0.014,602 0.013,603 0.011,604 0.502,605 0.5,606 0.88,607 0.573,608 138.294,609 0.013,610 -0.143,611 0.083,612 -0.026,613 -0.049,614 0.002,615 0.027,616 0.023,617 0.215,618 0.155,619 0.115,620 0.208,621 -0.158,622 0.02,623 -0.094,624 -0.038,625 -0.165,626 -0.121,627 0.097,628 -0.118,629 0.082,630 -0.029,631 0.146,632 0.06,633 -0.16,634 0.177,635 -0.137,636 0.079,637 -0.286,638 -0.025,639 -0.019,640 -0.155,641 -0.267,642 -0.304,643 -0.001,644 -0.215,645 -0.04,646 -0.034,647 -0.043,648 -0.023,649 -0.043,650 -0.046,651 0.063,652 0.021,653 -0.103,654 -0.092,655 0.02,656 -0.116,657 1.701,658 5.491,659 0.857,660 22.918,661 1.006,662 1.126,663 2.55,664 6.503,665 0.687,666 3.497,667 3.912,668 4.205,669 4.554,670 4.796,671 4.977,672 5.147,673 5.352,674 5.505,675 5.576,676 6.042,677 0.652,678 395.53,679 3.497,680 5.094,681 5.974,682 6.901,683 7.797,684 8.725,685 9.628,686 10.556,687 11.463,688 12.391,689 10.2,696 1,697 2,699 2,704 5,705 2,708 1,709 7,710 1,711 16,718 1,726 1,729 1,731 49,733 17,734 1,735 32,737 53,738 20,739 12,740 3,741 3,742 1,746 5,747 7,752 2,755 1,756 1,758 1,761 13,762 7,763 1,766 1,771 1,775 1,778 1,781 21,782 6,783 1,784 8,785 1,790 5,794 0.6,795 2,803 1,811 2,812 3,815 1,816 1,840 3,842 1,844 3,848 28,854 3,855 1,856 1,859 1,860 1,863 1,870 4.1,873 1,875 1,877 14.083,878 9.967,879 5.75,880 2.909,881 2.951,882 1.357,883 1.008,884 4.16,885 11.217,886 3.738,887 4.382,888 4.963,889 5.583,890 6.01,891 6.408,892 6.817,893 7.232,894 7.609,895 7.884,896 0.857,897 47,898 10.377,900 4.569,901 7.64,902 20.05,904 17.207,905 2.14,906 59.917,909 1,910 235.422,911 136.773,912 56.36,914 36.145,916 31.278,917 105.495,918 271.567,919 56.36,920 26.047,921 27.243,922 37.476,923 75.069,924 42.577,925 13.13,926 243.158,928 235.422,929 161.855,930 36.145,931 31.278,933 164.795,934 106.771,937 62.1,938 66.307,939 33.449,940 31.278,941 235.422,942 92.505,943 136.773,946 235.422,947 64.202,948 77.471,949 18.011,950 69.593,951 235.422,952 92.505,953 136.773,955 0.607,956 0.348,957 0.195,958 0.106,959 28,960 12,961 0.038,962 2,963 2,964 1.167,965 3.89,966 266.445,967 0.167,968 24,969 132.606,970 1,974 17.983,975 6.478,976 3.21,978 90.728,979 9.986,980 9.103,983 1.451,984 6.356,985 1.79,986 18.011,987 464.7,988 41,993 12.491,997 -0.035,999 49.309,1000 55.152,1001 0.301,1002 0.713,1003 0.88,1004 0.897,1005 0.897,1006 0.897,1007 5.037,1008 1.497,1009 6.023,1010 5.844,1011 4.595,1012 5.069,1013 1.737,1014 6.919,1015 4.483,1016 6.28,1017 1.412,1018 7.637,1019 4.382,1020 4.443,1021 5.017,1022 0.325,1023 8.072,1024 4.306,1025 7.624,1026 1.207,1027 9.35,1028 3.664,1029 6.319,1030 7.272,1031 1.622,1032 11.123,1033 6.111,1034 8.998,1035 0.849,1036 11.12,1037 3.127,1038 6.929,1039 7.993,1040 0.268,1041 13.034,1042 6.69,1043 10.399,1044 0.735,1045 12.925,1046 2.39,1047 8.341,1048 9.753,1049 1.587,1050 15.653,1051 8.046,1052 11.82,1053 0.657,1054 14.754,1055 1.862,1056 9.27,1057 10.826,1058 0.188,1059 17.856,1060 8.938,1061 13.255,1062 -0.197,1063 16.598,1064 1.65,1065 10.52,1066 12.386,1067 1.592,1068 20.336,1069 10.14,1070 3.349,1071 -0.333,1072 18.455,1073 -0.573,1074 11.587,1075 13.628,1076 0.125,1077 22.66,1078 11.166,1079 3.157,1080 11.552,1081 20.321,1082 -0.956,1083 12.781,1084 15.102,1085 1.624,1086 25.095,1087 12.317,1088 2.892,1089 10.944,1090 22.194,1091 4.18,1092 13.908,1093 16.427,1094 0.082,1095 27.471,1096 13.403,1097 2.748,1098 9.589,1099 24.073,1100 4.051,1101 15.086,1102 17.864,1103 1.676,1104 29.894,1105 14.54,1106 2.335,1107 9.067,1108 25.957,1109 3.696,1110 16.241,1111 19.231,1112 0.054,1113 32.295,1114 15.654,1115 2.146,1116 7.488,1117 27.845,1118 3.205,1119 17.418,1120 20.653,1121 1.742,1122 34.716,1123 16.79,1124 1.928,1125 6.052,1126 29.736,1127 2.921,1128 18.588,1129 22.042,1130 0.035,1131 37.129,1132 17.919,1133 8997,1134 14591,1135 21.383,1136 33.676,1137 50.823,1138 51.264,1139 50.818,1140 49.72,1141 49.824,1142 63.025,1143 5.437,1144 155.221,1145 46.918,1146 5.517,1147 5.726,1148 6.409,1149 5.451,1150 5.349,1151 7.18,1152 2.117,1153 18.895,1154 5.216,1155 13.779,1156 1.588,1157 1.602,1158 1.588,1159 1.554,1160 1.557,1161 1.97,1162 0.17,1163 4.851,1164 1.466,1165 4.069,1166 4.101,1167 4.277,1168 3.985,1169 7.429,1170 3.974,1171 3.954,1172 3.991,1173 3.976,1174 3.876,1175 4.994,1176 3.856,1177 3.806,1178 3.858,1179 3.748,1180 3.613,1181 4.85,1182 3.639,1183 3.552,1184 3.602,1185 3.586,1186 3.462,1187 4.717,1188 3.423,1189 3.409,1190 3.467,1191 3.291,1192 3.241,1193 4.288,1194 3.235,1195 3.134,1196 3.167,1197 3.077,1198 2.878,1199 4.265,1200 2.896,1201 3.057,1202 3.148,1203 2.868,1204 2.837,1205 3.805,1206 2.853,1207 2.921,1208 3.009,1209 2.791,1210 2.74,1211 3.741,1212 2.739,1213 0.143,1214 0.116,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.726,1221 0.033,1222 6.881,1223 0.361,1224 4.307,1225 0.1,1226 3.349,1227 4.18,1228 1.058,1229 11.552,1230 3.216,1231 1.94,1232 1.92,1233 2.023,1234 2.05,1235 1.262,1236 2.042,1237 1.825,1238 1.786,1239 1.99,1240 1.986,1241 1.205,1242 1.99,1243 1.566,1244 1.521,1245 1.755,1246 1.809,1247 0.986,1248 1.79,1249 1.459,1250 1.374,1251 1.698,1252 1.704,1253 0.768,1254 1.709,1255 1.337,1256 1.313,1257 1.509,1258 1.495,1259 0.691,1260 1.512,1261 1.274,1262 1.222,1263 1.447,1264 1.419,1265 0.545,1266 1.431,1267 1.163,1268 1.118,1269 1.417,1270 1.369,1271 0.469,1272 1.362,1273 0.934,1274 0.829,1275 1.205,1276 1.239,1277 0.442,1278 1.308,1279 4.174,1281 5.565,1282 3.045,1283 7.133,1284 5.352,1285 8.788,1286 7.413,1287 10.491,1289 5.956,1295 2.013,1296 3.059,1297 5.863,1300 2.155,1301 -0.272,1305 31.938,1306 82.834,1307 196.153,1308 242.101,1309 246.856,1310 246.856,1311 246.856,1312 41.147,1313 8.266,1314 72.28,1315 100.52,1316 28,1317 12.898,1318 4.17,1319 3.322,1320 37.556,1321 100,1322 106,1323 0.183,1324 195.326,1325 330.03,1326 468.355,1327 45894,1329 19.466,1330 0.695,1331 0.601,1332 19.819,1333 16.838,1334 13.394,1335 0.419,1336 0.315,1337 9.173,1338 12.389,1339 8.779,1340 7.263,1341 13.802,1342 10.068,1343 13.475,1344 0.275,1345 0.181,1346 14.091,1347 8.85,1348 10.965,1349 0.166,1350 0.093,1351 11.855,1352 6.164,1353 10.007,1354 0.106,1355 0.051,1356 10.914,1357 4.763,1358 7.859,1359 0.065,1360 0.029,1361 8.828,1362 3.483,1363 0.282,1364 88.408,1365 0.216,1366 26.234,1367 0.521,1368 162,1369 451.245,1370 205.206,1371 455.22,1372 637.13,1373 428,1374 196,1375 473.535,1376 239.692,1377 493.972,1378 731.08,1379 463,1380 6.53}
{0 CHEMBL512470,1 1.549,2 8.667,3 3.567,4 12.725,5 97.216,6 7.446,7 0.407,8 3.925,9 4.034,10 3.556,11 3.531,12 4.906,13 3.469,14 4.525,15 4.695,16 4,17 3.968,18 5.437,19 3.891,20 4.802,21 4.99,22 4.067,23 4.152,24 5.718,25 4.025,26 4.963,27 5.227,28 4.034,29 4.151,30 5.842,31 3.981,32 4.735,33 4.94,34 3.956,35 3.993,36 5.764,37 3.863,38 4.555,39 4.739,40 3.73,41 3.923,42 5.425,43 3.768,44 4.55,45 4.771,46 3.569,47 3.811,48 5.44,49 3.679,50 4.561,51 4.793,52 3.374,53 3.731,54 5.513,55 3.577,56 0.016,57 0.656,58 10.345,59 4.796,60 5.781,61 6.075,62 0.203,63 1.161,64 22.056,65 8.148,66 17.624,67 10.601,68 0.281,69 1.478,70 29.374,71 11.166,72 30.271,73 14.311,74 0.302,75 1.684,76 42.382,77 14.422,78 42.275,79 18.194,80 0.529,81 1.376,82 33.114,83 10.058,84 55.701,85 11.915,86 0.163,87 1.174,88 28.294,89 10.157,90 17.939,91 11.939,92 0.215,93 1.082,94 23.484,95 8.679,96 25.086,97 11.234,98 0.306,99 1.01,100 22.897,101 8.966,102 43.867,103 11.825,104 10,105 40,106 0.267,107 0.583,108 0.751,109 0.81,110 0.82,111 0.82,112 3.23,113 1.03,114 -4.27,115 -4.21,116 -3.98,119 41.3,120 2,121 2,123 1,125 3,127 1,142 5,143 1,146 1,152 1,157 1,162 1,172 10,174 1,175 5,183 12,186 1,187 6,195 5,198 1,199 12,207 2,211 2,212 8,220 4,224 5,232 3,237 3,245 5,249 1,250 4,258 8,263 4,271 9,275 742,276 16.085,277 16.085,278 16.085,279 16.085,280 16.085,281 14.697,282 21.271,283 9.38,284 16.511,285 13.38,286 13.38,287 13.38,288 13.38,289 13.38,290 11.221,291 29.522,292 4.496,293 14.112,294 3.974,295 2.146,296 1.171,297 0.832,298 0.772,299 0.772,300 3.925,303 1,304 1,305 1,306 456,307 2.55,310 43.103,311 193.661,314 84.855,318 1.278,319 21.125,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 208,332 4.551,333 3.736,334 6.88,335 4.329,336 3.348,337 4.141,338 1.277,339 11.549,340 3.302,341 4.228,342 3.441,343 6.691,344 4.049,345 3.112,346 3.585,347 0.916,348 10.856,349 2.924,350 4.017,351 3.08,352 6.307,353 3.744,354 2.789,355 3.219,356 0.86,357 9.508,358 2.649,359 3.671,360 2.813,361 5.705,362 3.329,363 2.363,364 2.89,365 0.172,366 7.537,367 2.262,368 3.335,369 2.449,370 5.121,371 2.99,372 1.994,373 2.506,375 5.869,376 1.976,377 3.033,378 2.221,379 4.636,380 2.667,381 1.732,382 2.189,384 4.65,385 1.615,386 2.735,387 1.728,388 3.924,389 2.434,390 1.503,391 1.784,393 3.255,394 1.376,395 2.5,396 1.412,397 3.791,398 2,399 1.065,400 1.5,402 2.75,403 1,404 2.335,405 1.202,406 3.604,407 1.973,408 1,409 1.247,411 2.396,412 0.968,413 2.2,414 1.127,415 3.436,416 1.908,417 1,418 1.142,420 2.292,421 0.886,422 2.109,423 1,424 3.247,425 1.69,426 0.797,427 1.053,428 2.136,429 0.69,430 1.035,431 0.549,432 3.234,433 0.761,434 -0.214,435 -0.243,436 -0.623,437 -0.205,438 0.861,439 0.065,440 2.794,441 0.585,442 -0.388,443 -0.439,445 -1.016,446 -0.357,447 0.747,448 -0.098,449 2.583,450 0.545,451 -0.458,452 -0.54,454 -1.302,455 -0.472,456 0.5,457 -0.434,458 2.232,459 0.162,460 -0.781,461 -0.844,463 -1.887,464 -0.717,465 11.8,466 0.492,467 0.724,468 0.03,469 27.5,470 1.146,471 12,472 0.5,473 15.5,474 0.646,475 24.36,476 1.015,477 26,478 0.565,479 17.23,480 0.718,481 4.851,482 0.202,483 6.682,484 0.278,485 0.113,486 0.042,487 0.288,493 0.714,494 1.25,495 0.756,496 1.006,497 0.584,498 0.974,499 1.036,500 1.026,501 0.794,502 0.872,503 0.67,504 0.844,505 1.019,506 1.196,507 0.992,508 1.079,509 1.036,510 1.145,511 0.71,512 1.054,513 1.08,514 1.075,515 0.662,516 0.878,517 1.745,518 0.91,519 1.405,520 1.005,521 1.92,522 0.961,523 1.02,524 1.304,525 1.659,526 1.533,527 0.678,528 1.271,529 1.186,530 0.932,531 1.033,532 0.981,533 1.33,534 1.036,535 1.051,536 0.964,537 0.899,538 0.988,539 1.364,540 1.115,541 5.5,542 0.062,543 2.889,544 2.319,545 1.459,546 0.803,547 0.507,548 0.422,549 0.271,550 0.151,551 6032,552 13928,553 2.125,554 47.8,555 6,556 12,560 4,564 1.673,565 1.986,566 3.121,567 -0.782,569 1,573 71.266,574 1.549,575 3.378,576 4.352,577 4.692,578 4.752,579 4.752,580 2.519,581 4.054,582 4.559,583 3.241,584 894.391,585 7.889,586 10122,588 1,590 1,591 254.084,592 1.564,593 4.509,594 0.204,595 0.009,596 0.072,597 0.059,598 0.038,599 0.024,600 0.017,601 0.016,602 0.013,603 0.011,604 0.464,605 0.33,606 1,607 0.566,608 111.699,609 0.012,610 -0.129,611 0.087,612 -0.003,613 -0.021,614 0.017,615 -0.012,616 0.054,617 0.145,618 0.11,619 -0.002,620 0.12,621 -0.037,622 -0.147,623 -0.062,624 -0.113,625 -0.11,626 -0.184,627 0.119,628 -0.052,629 0.114,630 0.015,631 0.175,632 0.128,633 -0.193,634 0.211,635 -0.162,636 0.062,637 -0.26,638 -0.038,639 -0.123,640 -0.213,641 -0.343,642 -0.312,643 -0.045,644 -0.252,645 -0.148,646 0.055,647 -0.136,648 -0.05,649 -0.096,650 -0.074,651 0.059,652 -0.087,653 -0.116,654 -0.114,655 0.043,656 -0.146,657 1.422,658 5.476,659 0.875,660 17.333,661 0.995,662 1.119,663 3.045,664 9.27,665 0.678,666 3.332,667 3.714,668 3.989,669 4.331,670 4.564,671 4.682,672 4.812,673 4.963,674 5.017,675 5.011,676 5.285,677 0.629,678 342.5,679 3.332,680 4.905,681 5.771,682 6.688,683 7.574,684 8.496,685 9.39,686 10.314,687 11.213,688 12.138,689 4.3,695 1,699 1,704 5,705 1,708 1,709 4,711 11,716 1,726 1,731 46,733 12,734 1,735 27,737 49,738 19,739 9,740 1,741 5,742 1,746 4,747 5,752 2,753 1,754 1,755 3,758 3,761 10,762 9,766 1,771 1,775 1,777 1,778 1,781 22,782 4,784 5,785 1,790 2,794 0.75,795 2,811 1,812 3,815 1,839 1,840 3,842 1,844 2,848 24,854 5,856 1,858 1,859 1,860 1,863 1,870 4.3,873 1,874 1,877 12.083,878 8.9,879 5.056,880 2.844,881 1.99,882 1.266,883 0.97,884 4.115,885 9.469,886 3.541,887 4.107,888 4.621,889 5.194,890 5.588,891 5.83,892 6.113,893 6.406,894 6.62,895 6.755,896 0.833,897 39,898 8.953,900 3.907,901 7.573,902 17.601,904 15.272,905 2.073,906 49.75,909 1,910 258.964,911 125.604,912 19.91,914 36.145,916 31.278,917 94.326,918 295.109,919 19.91,920 17.65,921 16.36,922 47.381,923 58.064,924 9.567,925 1.358,926 290.242,928 258.964,929 114.236,930 36.145,931 31.278,933 258.964,934 25.145,935 11,937 37.267,938 60.183,939 16.786,940 31.278,941 258.964,942 56.055,943 125.604,946 258.964,947 60.572,948 68.156,950 52.93,951 258.964,952 56.055,953 125.604,955 0.594,956 0.34,957 0.197,958 0.109,959 22,960 9,961 0.041,962 2,963 1,964 1.095,965 3.538,966 209.016,967 0.095,968 21,969 104.039,970 1,974 16.075,975 6.143,976 3.119,978 56.055,979 10.407,980 4.864,983 1.559,984 4.039,987 440.623,988 33.5,993 12.476,997 0.245,999 45.771,1000 51.487,1001 0.28,1002 0.612,1003 0.788,1004 0.849,1005 0.86,1006 0.86,1007 4.826,1008 1.065,1009 5.808,1010 3.255,1011 4.394,1012 4.792,1013 1.981,1014 6.696,1015 4.3,1016 6.036,1017 1,1018 7.414,1019 2.75,1020 4.205,1021 4.635,1022 0.325,1023 7.888,1024 4.11,1025 7.361,1026 1,1027 9.128,1028 2.396,1029 6.107,1030 6.898,1031 2.126,1032 10.937,1033 5.943,1034 8.716,1035 0.797,1036 10.906,1037 2.292,1038 6.711,1039 7.529,1040 0.393,1041 12.89,1042 6.543,1043 10.104,1044 -0.214,1045 12.722,1046 2.136,1047 8.142,1048 9.309,1049 2.416,1050 15.512,1051 7.925,1052 11.513,1053 -0.388,1054 14.563,1055 -0.623,1056 9.077,1057 10.309,1058 0.384,1059 17.742,1060 8.849,1061 12.938,1062 -0.458,1063 16.42,1064 -1.016,1065 10.34,1066 11.886,1067 2.793,1068 20.229,1069 10.079,1070 3.348,1071 -0.781,1072 18.289,1073 -1.302,1074 11.416,1075 13.076,1076 0.351,1077 22.568,1078 11.142,1079 3.112,1080 11.549,1081 20.166,1082 -1.887,1083 12.62,1084 14.56,1085 3.22,1086 25.009,1087 12.323,1088 2.789,1089 10.856,1090 22.05,1091 4.141,1092 13.756,1093 15.851,1094 0.312,1095 27.394,1096 13.445,1097 2.363,1098 9.508,1099 23.938,1100 3.585,1101 14.942,1102 17.293,1103 3.676,1104 29.822,1105 14.615,1106 1.994,1107 7.537,1108 25.831,1109 3.219,1110 16.105,1111 18.638,1112 0.273,1113 32.228,1114 15.765,1115 1.732,1116 5.869,1117 27.726,1118 2.89,1119 17.288,1120 20.063,1121 4.146,1122 34.653,1123 16.935,1124 1.503,1125 4.65,1126 29.625,1127 2.506,1128 18.463,1129 21.439,1130 0.236,1131 37.07,1132 18.1,1133 5733,1134 8827,1135 18.087,1136 31.182,1137 42.131,1138 42.973,1139 42.04,1140 41.283,1141 41.405,1142 50.517,1143 6.453,1144 125.597,1145 39.297,1146 5.551,1147 5.736,1148 6.682,1149 5.468,1150 5.348,1151 7.141,1152 2.555,1153 18.89,1154 5.302,1155 10.484,1156 1.56,1157 1.592,1158 1.557,1159 1.529,1160 1.534,1161 1.871,1162 0.239,1163 4.652,1164 1.455,1165 4.038,1166 4.065,1167 4.276,1168 3.983,1169 7.427,1170 3.95,1171 3.914,1172 3.943,1173 3.86,1174 3.853,1175 4.831,1176 3.841,1177 3.689,1178 3.738,1179 3.635,1180 3.556,1181 4.724,1182 3.537,1183 3.502,1184 3.541,1185 3.499,1186 3.394,1187 4.554,1188 3.366,1189 3.182,1190 3.215,1191 3.096,1192 2.989,1193 4.215,1194 2.978,1195 3.122,1196 3.2,1197 2.937,1198 2.955,1199 3.769,1200 2.966,1201 2.889,1202 3.009,1203 2.785,1204 2.735,1205 3.674,1206 2.715,1207 2.874,1208 2.963,1209 2.687,1210 2.69,1211 3.595,1212 2.656,1213 0.169,1214 0.138,1215 0.255,1216 0.16,1217 0.124,1218 4.551,1219 0.153,1220 3.736,1221 0.047,1222 6.88,1223 0.428,1224 4.329,1225 0.122,1226 3.348,1227 4.141,1228 1.277,1229 11.549,1230 3.302,1231 1.932,1232 1.903,1233 2.057,1234 2.045,1235 1.375,1236 2.049,1237 1.883,1238 1.852,1239 2.047,1240 2.001,1241 1.28,1242 2.02,1243 1.642,1244 1.594,1245 1.834,1246 1.84,1247 1.02,1248 1.845,1249 1.338,1250 1.318,1251 1.526,1252 1.498,1253 0.76,1254 1.519,1255 1.186,1256 1.141,1257 1.47,1258 1.4,1259 0.692,1260 1.394,1261 1.156,1262 1.084,1263 1.417,1264 1.347,1265 0.584,1266 1.393,1267 0.952,1268 0.914,1269 1.36,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.821,1275 1.181,1276 1.169,1277 0.384,1278 1.192,1279 4.007,1281 5.371,1282 2.398,1283 6.929,1284 4.727,1285 8.576,1286 6.862,1287 10.271,1289 4.294,1295 3.669,1297 5.713,1299 0.163,1300 2.308,1301 0.013,1305 28.928,1306 71.266,1307 155.378,1308 200.21,1309 215.819,1310 218.574,1311 218.574,1312 39.241,1313 7.479,1314 42.43,1315 70.67,1316 23,1317 12.648,1318 3.7,1319 2.907,1320 33.69,1321 76,1322 72,1323 0.222,1324 178.599,1325 308.27,1326 427.542,1327 17318,1329 16.734,1330 0.697,1331 0.622,1332 17.087,1333 14.935,1334 11.534,1335 0.427,1336 0.343,1337 8.434,1338 10.765,1339 8.064,1340 6.657,1341 11.942,1342 9.273,1343 11.215,1344 0.28,1345 0.21,1346 11.831,1347 8.386,1348 8.942,1349 0.169,1350 0.112,1351 9.832,1352 5.959,1353 8.22,1354 0.11,1355 0.063,1356 9.128,1357 4.71,1358 6.481,1359 0.068,1360 0.038,1361 7.457,1362 3.572,1363 0.337,1364 75.807,1365 0.235,1366 22.884,1367 0.646,1368 134,1369 343.622,1370 170.575,1371 350.444,1372 481.56,1373 330,1374 160,1375 335.001,1376 196.643,1377 357.517,1378 531.24,1379 335,1380 4.301}
{0 CHEMBL512487,1 1.7,2 10.083,3 2.958,4 8.75,5 91.386,6 7.577,7 0.48,8 3.875,9 3.993,10 3.418,11 3.336,12 5.094,13 3.338,14 4.37,15 4.553,16 3.75,17 3.681,18 5.646,19 3.665,20 4.591,21 4.789,22 3.817,23 3.824,24 5.796,25 3.783,26 4.698,27 4.926,28 3.739,29 3.825,30 5.815,31 3.757,32 4.713,33 4.957,34 3.727,35 3.797,36 5.892,37 3.709,38 4.626,39 4.856,40 3.648,41 3.726,42 5.784,43 3.652,44 4.619,45 4.853,46 3.544,47 3.631,48 5.815,49 3.576,50 4.466,51 4.692,52 3.549,53 3.524,54 5.868,55 3.47,56 0.124,57 0.691,58 8.909,59 3.854,60 18.447,61 4.908,62 0.375,63 1.052,64 16.577,65 5.848,66 50.194,67 7.973,68 0.449,69 1.269,70 21.323,71 7.286,72 49.519,73 9.919,74 0.483,75 1.272,76 24.861,77 7.728,78 62.51,79 11.092,80 0.753,81 1.217,82 26.548,83 8.333,84 84.387,85 11.961,86 0.524,87 1.086,88 23.658,89 7.575,90 71.429,91 10.741,92 0.67,93 1.02,94 24.815,95 6.852,96 104.295,97 9.373,98 0.693,99 0.902,100 21.007,101 6.418,102 104.486,103 8.928,104 43,105 34,106 0.298,107 0.686,108 0.85,109 0.896,110 0.896,111 0.896,112 3.228,113 0.896,114 -2.53,115 -2.55,116 -2.49,119 38.6,120 1,124 1,125 3,142 5,143 2,144 2,146 1,147 1,158 1,167 1,170 1,172 5,173 1,174 1,175 4,178 1,180 3,183 4,184 2,187 4,190 2,192 6,195 3,199 1,200 2,204 1,207 1,211 2,212 2,215 4,217 2,218 1,220 2,224 3,227 1,228 1,229 1,232 5,237 2,242 1,243 1,245 5,246 2,250 5,253 1,254 2,255 2,258 3,259 3,263 3,268 3,275 864,276 15.662,277 15.662,278 15.662,279 15.662,280 15.662,281 14.018,282 21.618,283 9.294,284 15.993,285 12.272,286 12.272,287 12.272,288 12.272,289 12.272,290 9.716,291 31.057,292 4.331,293 12.838,294 3.76,295 1.551,296 0.616,297 0.352,298 0.352,299 0.352,300 3.886,303 1,304 1,305 1,306 490,307 3.606,311 172.859,318 1.34,319 35.482,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 54,331 242,332 4.321,333 3.586,334 6.199,335 3.941,336 2.977,337 3.951,338 1.437,339 9.265,340 2.877,341 4.226,342 3.112,343 6.058,344 3.826,345 2.85,346 3.875,347 0.8,348 8.705,349 2.78,350 3.787,351 3.057,352 5.798,353 3.494,354 2.539,355 3.07,356 0.657,357 7.756,358 2.402,359 3.546,360 2.721,361 5.226,362 3.227,363 2.269,364 2.815,366 6.518,367 2.168,368 3.431,369 2.551,370 4.953,371 3.022,372 2.087,373 2.717,375 5.79,376 1.927,377 2.853,378 1.936,379 4.202,380 2.493,381 1.531,382 1.981,384 3.827,385 1.471,386 2.752,387 1.676,388 4.145,389 2.419,390 1.445,391 1.766,393 3.669,394 1.398,395 2.563,396 1.647,397 3.708,398 2.105,399 1.119,400 1.526,402 2.667,403 1.085,404 1.967,405 1.189,406 3.268,407 1.705,408 0.793,409 0.893,411 1.762,412 0.718,413 1.867,414 0.987,415 2.938,416 1.665,417 0.733,418 0.827,420 1.314,421 0.679,422 1.261,423 0.44,424 2.632,425 0.95,430 0.806,431 0.4,432 2.359,433 0.44,434 -0.514,435 -0.567,436 -0.865,437 -0.471,438 0.793,439 0.009,440 2.233,441 0.36,442 -0.542,443 -0.621,445 -1.242,446 -0.479,447 0.74,448 -0.103,449 2.135,450 0.331,451 -0.622,452 -0.791,454 -1.732,455 -0.59,456 0.44,457 -0.385,458 1.862,459 0.237,460 -0.694,461 -0.876,463 -1.956,464 -0.651,465 10.986,466 0.458,467 0.685,468 0.029,469 29.75,470 1.24,471 14.5,472 0.604,473 15.25,474 0.635,475 18.689,476 0.779,477 27.414,478 0.623,479 23.532,480 0.981,481 6.32,482 0.263,483 5.081,484 0.212,485 0.208,487 0.355,491 1,493 0.804,494 1.251,495 0.804,496 1.136,497 0.74,498 1.002,499 0.716,500 1.042,501 0.791,502 0.931,503 0.543,504 0.878,505 0.894,506 1.163,507 1.01,508 1.103,509 0.811,510 1.082,511 0.892,512 1.083,513 1.049,514 1.108,515 0.798,516 1.103,517 0.684,518 0.816,519 0.919,520 0.961,521 0.751,522 1.001,523 0.817,524 0.942,525 0.96,526 1.07,527 0.833,528 1.058,529 1.351,530 0.789,531 1.147,532 0.824,533 1.379,534 0.902,535 0.824,536 0.748,537 0.837,538 0.855,539 0.848,540 0.862,541 6,542 0.153,543 2.889,544 1.5,545 1.467,546 0.958,547 0.346,548 0.474,549 0.324,550 0.161,551 5701,552 19786,553 1.925,554 45.5,555 3,556 14,559 3,564 1.672,565 1.756,566 3.283,567 1.039,568 1,569 1,571 1,573 74.78,574 1.7,575 3.909,576 4.843,577 5.107,578 5.107,579 5.107,580 2.636,581 4.22,582 4.556,583 3.429,584 946.314,585 7.878,586 11344.2,588 1,590 1,591 240.215,592 1.555,593 4.483,594 0.24,595 0.013,596 0.085,597 0.043,598 0.047,599 0.032,600 0.012,601 0.019,602 0.013,603 0.008,604 0.512,605 0.33,606 1,607 1.372,608 114.421,609 -0.107,610 -0.14,611 -0.006,612 -0.008,613 -0.109,614 0.013,615 0.027,616 -0.004,617 0.084,618 0.094,619 0.111,620 0.106,621 -0.079,622 -0.079,623 -0.109,624 -0.09,625 -0.055,626 -0.104,627 -0.118,628 -0.138,629 -0.123,630 -0.143,631 -0.08,632 -0.129,633 0.159,634 0.121,635 0.044,636 0.005,637 0.045,638 -0.014,639 -0.008,640 -0.086,641 -0.018,642 -0.096,643 -0.031,644 -0.067,645 -0.256,646 0.077,647 -0.135,648 0.096,649 -0.239,650 0.037,651 0.184,652 0.075,653 0.156,654 0.108,655 0.186,656 0.117,657 2.713,658 5.136,659 0.5,660 20.667,661 1.017,662 1.141,663 1.295,664 1.678,665 0.64,666 3.258,667 3.555,668 3.738,669 3.912,670 4.127,671 4.111,672 4.111,673 4.127,674 4.127,675 4.159,676 5.959,677 0.621,678 333.4,679 3.258,680 4.779,681 5.595,682 6.45,683 7.29,684 8.148,685 8.995,686 9.854,687 10.706,688 11.565,689 6.8,694 1,695 1,699 1,704 5,705 1,709 6,711 12,720 1,724 1,726 1,730 1,731 44,733 13,734 1,735 25,737 45,738 17,739 11,740 3,741 3,742 1,746 2,747 2,752 2,761 12,762 5,766 1,771 1,775 1,777 1,778 1,779 1,781 20,782 7,783 3,784 7,790 3,794 1,795 3,796 1,805 1,812 2,838 2,840 2,844 2,846 1,848 24,853 2,854 3,855 1,859 1,869 1,870 6.8,871 1,872 1,873 1,877 13.667,878 8.276,879 5.417,880 2.393,881 2.289,882 1.347,883 0.902,884 6.123,885 8.882,886 3.497,887 4.06,888 4.554,889 5.045,890 5.564,891 5.635,892 5.785,893 5.897,894 6.195,895 6.551,896 0.857,897 35,898 8.874,900 3.698,901 8.194,902 16.286,904 12.671,905 2.694,906 64.667,909 1,910 200.109,911 93.058,912 37.921,914 110.512,915 14.96,917 93.058,918 310.62,919 52.881,920 17.222,921 4.211,922 90.065,923 103.534,924 24.13,925 17.288,926 200.109,928 200.109,929 130.978,930 125.472,933 215.069,934 67.828,935 42.683,937 15.793,938 80.389,939 34.796,941 215.069,942 148.432,943 93.058,946 200.109,947 28.455,948 67.727,949 18.011,950 142.257,951 200.109,952 163.392,953 93.058,955 0.577,956 0.326,957 0.163,958 0.094,959 14,960 8,961 0.156,962 7,964 1,965 3.498,966 181.437,968 12,969 110.039,974 18.174,975 8.085,976 4.911,978 163.392,979 7.362,980 4.412,984 2.329,986 103.377,987 456.559,988 32,993 11.294,997 -1.046,999 44.752,1000 50.2,1001 0.311,1002 0.716,1003 0.887,1004 0.935,1005 0.935,1006 0.935,1007 4.718,1008 1.119,1009 5.587,1010 3.669,1011 4.234,1012 4.745,1013 1.939,1014 6.354,1015 4.15,1016 5.923,1017 0.793,1018 7.132,1019 2.667,1020 3.892,1021 4.605,1022 0.325,1023 7.172,1024 3.761,1025 7.222,1026 0.733,1027 8.771,1028 1.762,1029 5.796,1030 6.89,1031 2.337,1032 10.198,1033 5.642,1034 8.553,1036 10.461,1037 1.314,1038 6.196,1039 7.48,1040 0.268,1041 11.76,1042 5.999,1043 9.91,1044 -0.514,1045 12.181,1047 7.616,1048 9.304,1049 2.945,1050 14.303,1051 7.398,1052 11.286,1053 -0.542,1054 13.922,1055 -0.865,1056 8.356,1057 10.238,1058 0.188,1059 16.192,1060 8.101,1061 12.675,1062 -0.622,1063 15.677,1064 -1.242,1065 9.574,1066 11.855,1067 3.625,1068 18.541,1069 9.297,1070 2.977,1071 -0.694,1072 17.442,1073 -1.732,1074 10.48,1075 12.974,1076 0.125,1077 20.589,1078 10.169,1079 2.85,1080 9.265,1081 19.215,1082 -1.956,1083 11.611,1084 14.483,1085 4.331,1086 22.853,1087 11.276,1088 2.539,1089 8.705,1090 20.994,1091 3.951,1092 12.598,1093 15.705,1094 0.082,1095 24.979,1096 12.231,1097 2.269,1098 7.756,1099 22.778,1100 3.875,1101 13.692,1102 17.154,1103 5.048,1104 27.207,1105 13.299,1106 2.087,1107 6.518,1108 24.566,1109 3.07,1110 14.72,1111 18.436,1112 0.054,1113 29.373,1114 14.297,1115 1.531,1116 5.79,1117 26.357,1118 2.815,1119 15.799,1120 19.85,1121 5.769,1122 31.587,1123 15.348,1124 1.445,1125 3.827,1126 28.151,1127 2.717,1128 16.849,1129 21.167,1130 0.035,1131 33.773,1132 16.367,1133 5878,1134 11036,1135 15.72,1136 28.171,1137 37.027,1138 37.976,1139 38.589,1140 36.756,1141 36.685,1142 46.839,1143 5.788,1144 102.547,1145 35.013,1146 5.163,1147 5.586,1148 5.968,1149 4.992,1150 4.977,1151 6.951,1152 2.873,1153 15.513,1154 4.877,1155 15.309,1156 1.481,1157 1.519,1158 1.544,1159 1.47,1160 1.467,1161 1.874,1162 0.232,1163 4.102,1164 1.401,1165 3.987,1166 4.025,1167 3.94,1168 3.884,1169 8.201,1170 3.891,1171 3.893,1172 3.925,1173 3.85,1174 3.797,1175 7.475,1176 3.806,1177 3.584,1178 3.649,1179 3.454,1180 3.369,1181 6.456,1182 3.378,1183 3.366,1184 3.41,1185 3.293,1186 3.141,1187 6.351,1188 3.164,1189 3.212,1190 3.273,1191 3.09,1192 3.021,1193 4.843,1194 3.004,1195 3.178,1196 3.263,1197 2.989,1198 2.932,1199 4.653,1200 2.95,1201 3.044,1202 3.097,1203 2.876,1204 2.764,1205 4.138,1206 2.79,1207 2.83,1208 2.892,1209 2.692,1210 2.659,1211 3.934,1212 2.657,1213 0.173,1214 0.143,1215 0.248,1216 0.158,1217 0.119,1218 4.321,1219 0.158,1220 3.586,1221 0.057,1222 6.199,1223 0.371,1224 3.941,1225 0.115,1226 2.977,1227 3.951,1228 1.437,1229 9.265,1230 2.877,1231 1.926,1232 1.896,1233 2.029,1234 2.054,1235 1.162,1236 2.046,1237 1.859,1238 1.831,1239 1.956,1240 1.984,1241 1.103,1242 1.979,1243 1.536,1244 1.468,1245 1.783,1246 1.777,1247 0.985,1248 1.781,1249 1.281,1250 1.228,1251 1.547,1252 1.54,1253 0.684,1254 1.527,1255 1.202,1256 1.123,1257 1.53,1258 1.462,1259 0.594,1260 1.474,1261 1.148,1262 1.069,1263 1.483,1264 1.419,1265 0.579,1266 1.461,1267 0.906,1268 0.873,1269 1.07,1270 1.267,1271 0.131,1272 1.21,1273 0.807,1274 0.751,1275 1.054,1276 1.015,1277 0.1,1278 1.031,1279 3.932,1281 5.231,1283 6.715,1285 8.287,1287 9.905,1289 3.512,1291 13.136,1294 18.27,1295 0.589,1296 3.131,1300 1.68,1305 27.333,1306 74.78,1307 171.976,1308 213.096,1309 224.705,1310 224.705,1311 224.705,1312 62.223,1313 6.593,1314 85.69,1315 85.69,1316 12,1317 12.117,1318 3.807,1319 3,1320 48.289,1321 84,1322 86,1323 0.279,1324 172.131,1325 303.1,1326 411.761,1327 5515,1328 2.3,1329 17.69,1330 0.737,1331 0.566,1332 16.82,1333 13.583,1334 11.401,1335 0.456,1336 0.299,1337 7.323,1338 10.818,1339 7.099,1340 5.919,1341 11.007,1342 7.467,1343 10.336,1344 0.304,1345 0.161,1346 9.702,1347 5.468,1348 7.924,1349 0.193,1350 0.087,1351 7.604,1352 3.587,1353 6.076,1354 0.124,1355 0.046,1356 5.741,1357 2.257,1358 4.821,1359 0.079,1360 0.023,1361 4.622,1362 1.425,1363 0.434,1364 72.656,1365 0.252,1366 23.418,1367 0.772,1368 118,1369 447.769,1370 133.61,1371 402.494,1372 522.02,1373 372,1374 134,1375 358.487,1376 147.973,1377 358.467,1378 516.07,1379 334,1380 4}
{0 CHEMBL512624,1 1.712,2 9.25,3 2.668,4 7.117,5 92.167,6 8.034,7 0.407,8 3.891,9 3.993,10 3.577,11 3.435,12 4.959,13 3.408,14 4.463,15 4.623,16 4.037,17 3.847,18 5.507,19 3.815,20 4.681,21 4.848,22 4.108,23 4.013,24 5.719,25 3.947,26 4.803,27 5.027,28 4.036,29 4.037,30 5.821,31 3.908,32 4.617,33 4.813,34 3.891,35 3.872,36 5.688,37 3.749,38 4.407,39 4.582,40 3.604,41 3.706,42 5.329,43 3.585,44 4.317,45 4.506,46 3.554,47 3.552,48 5.359,49 3.502,50 4.422,51 4.636,52 3.444,53 3.566,54 5.49,55 3.453,56 0.052,57 0.651,58 8.777,59 4.197,60 5.726,61 4.959,62 0.326,63 1.094,64 19.772,65 6.931,66 24.067,67 8.558,68 0.427,69 1.34,70 24.617,71 8.463,72 29.323,73 10.256,74 0.486,75 1.428,76 34.323,77 11.729,78 40.653,79 14.406,80 0.605,81 1.196,82 28.161,83 8.946,84 54.544,85 10.257,86 0.267,87 0.979,88 25.069,89 8.35,90 15.98,91 9.272,92 0.335,93 0.859,94 16.539,95 5.555,96 24.478,97 7.066,98 0.401,99 0.882,100 19.079,101 7.071,102 42.965,103 9.172,104 18,105 41,106 0.3,107 0.648,108 0.815,109 0.835,110 0.835,111 0.835,112 3.23,113 0.966,114 -3.19,115 -3.18,116 -3.05,119 39.5,120 2,121 1,124 1,125 2,130 1,142 3,144 3,146 1,152 1,158 1,162 1,172 1,174 1,175 7,178 1,180 3,183 4,186 1,187 5,192 1,195 2,198 2,199 8,202 1,207 1,211 3,212 3,215 1,220 4,224 2,232 1,236 1,237 3,242 1,245 2,249 1,250 2,253 1,255 2,258 2,263 3,271 4,275 726,276 15.989,277 15.989,278 15.989,279 15.989,280 15.989,281 14.628,282 28.335,283 9.019,284 16.654,285 13.29,286 13.29,287 13.29,288 13.29,289 13.29,290 10.989,291 45.344,292 4.225,293 14.331,294 3.714,295 1.724,296 0.768,297 0.657,298 0.657,299 0.657,300 3.924,303 1,304 1,305 1,306 485,307 2.828,310 41.661,311 162.413,314 81.934,315 90.839,318 1.458,319 23.551,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52.5,331 222,332 4.563,333 3.725,334 6.88,335 4.306,336 3.349,337 4.165,338 1.058,339 11.55,340 3.216,341 4.364,342 3.407,343 6.7,344 4.067,345 3.136,346 3.938,347 0.86,348 10.892,349 2.916,350 4.055,351 3.134,352 6.311,353 3.75,354 2.814,355 3.229,356 0.86,357 9.531,358 2.628,359 3.731,360 2.916,361 5.755,362 3.401,363 2.463,364 2.978,365 0.8,366 7.798,367 2.293,368 3.465,369 2.681,370 5.226,371 3.067,372 2.129,373 2.709,375 6.391,376 1.995,377 3.194,378 2.428,379 5.09,380 2.849,381 1.897,382 2.339,384 5.777,385 1.776,386 2.88,387 1.891,388 4.552,389 2.49,390 1.561,391 2.01,393 4.354,394 1.441,395 2.506,396 1.561,397 4.023,398 2.251,399 1.34,400 1.505,402 3.394,403 1.206,404 2.307,405 1.252,406 3.794,407 1.753,408 0.869,409 1.175,411 2.387,412 0.75,413 2.05,414 1.12,415 3.37,416 1.662,417 0.761,418 0.959,420 1.904,421 0.67,422 1.583,423 0.893,424 3.229,425 1.306,426 0.444,427 0.492,428 0.698,429 0.379,430 1.034,431 0.457,432 2.837,433 0.741,434 -0.226,435 -0.259,436 -0.686,437 -0.215,438 0.839,439 -0.046,440 2.794,441 0.537,442 -0.431,443 -0.487,445 -1.053,446 -0.393,447 0.748,448 -0.083,449 2.591,450 0.494,451 -0.462,452 -0.549,454 -1.241,455 -0.448,456 0.741,457 -0.216,458 2.282,459 0.41,460 -0.504,461 -0.595,463 -1.305,464 -0.46,465 11.533,466 0.481,467 0.793,468 0.033,469 29.5,470 1.229,471 13,472 0.542,473 16.5,474 0.688,475 22.377,476 0.932,477 26.267,478 0.611,479 19.648,480 0.819,481 5.454,482 0.227,483 6.011,484 0.25,485 0.159,486 0.043,487 0.338,493 0.822,494 1.355,495 0.715,496 1.033,497 0.631,498 0.947,499 1.015,500 1.079,501 0.703,502 0.823,503 0.615,504 0.726,505 1.164,506 1.125,507 0.984,508 0.989,509 1.016,510 1.019,511 0.66,512 1.07,513 1.065,514 1.12,515 0.727,516 0.97,517 1.192,518 0.864,519 1.326,520 1.044,521 1.844,522 1.035,523 1.104,524 1.31,525 1.693,526 1.571,527 0.767,528 1.247,529 1.215,530 0.938,531 0.872,532 0.888,533 1.301,534 1.006,535 0.928,536 1.028,537 0.838,538 0.979,539 1.238,540 1.134,541 6.5,542 0.094,543 3.111,544 2.382,545 1.872,546 0.844,547 0.609,548 0.39,549 0.315,550 0.172,551 6018,552 16274,553 2.099,554 44.2,556 10,559 1,560 2,561 6,564 1.671,565 1.933,566 3.179,567 -0.26,568 1,569 1,571 1,573 73.622,574 1.712,575 3.703,576 4.658,577 4.769,578 4.769,579 4.769,580 2.69,581 4.335,582 4.557,583 3.303,584 911.71,585 7.874,586 10228.3,588 1,590 1,591 233.329,592 1.666,593 4.495,594 0.241,595 0.013,596 0.076,597 0.058,598 0.049,599 0.028,600 0.023,601 0.016,602 0.015,603 0.013,604 0.533,605 0.5,606 1,607 0.813,608 111.968,609 -0.049,610 -0.201,611 0.079,612 -0.042,613 -0.054,614 -0.001,616 0.004,617 0.226,618 0.156,619 0.093,620 0.214,621 -0.153,622 -0.021,623 -0.056,624 -0.03,625 -0.147,626 -0.1,627 0.15,628 -0.073,629 0.071,630 -0.024,631 0.16,632 0.052,633 -0.082,634 0.209,635 -0.15,636 0.046,637 -0.282,638 -0.08,639 -0.166,640 -0.248,641 -0.382,642 -0.321,643 -0.068,644 -0.224,645 -0.136,646 0.087,647 -0.111,648 -0.064,649 -0.08,650 -0.103,651 0.092,652 -0.13,653 -0.046,654 -0.12,655 0.069,656 -0.168,657 1.701,658 5.326,659 0.792,660 17.375,661 1.01,662 1.125,663 1.957,664 3.83,665 0.677,666 3.332,667 3.738,668 4.025,669 4.369,670 4.625,671 4.787,672 4.927,673 5.081,674 5.182,675 5.226,676 5.407,677 0.642,678 345.46,679 3.332,680 4.92,681 5.796,682 6.723,683 7.616,684 8.545,685 9.447,686 10.376,687 11.282,688 12.211,689 7,696 1,697 1,699 1,704 3,705 1,708 1,709 6,711 11,718 1,726 1,729 2,731 43,733 12,734 1,735 27,737 46,738 17,739 9,740 3,741 3,742 1,746 4,747 6,752 2,755 1,756 1,758 1,761 10,762 7,763 1,766 1,771 1,775 1,777 1,778 1,781 19,782 6,783 1,784 7,785 1,790 3,794 0.5,795 3,811 1,812 3,815 1,816 1,840 2,842 1,844 3,848 24,854 3,855 1,856 2,859 1,860 1,863 1,870 7,873 1,875 2,877 12.417,878 8.817,879 5.056,880 2.515,881 2.22,882 1.29,883 0.976,884 3.863,885 9.866,886 3.541,887 4.155,888 4.711,889 5.31,890 5.757,891 6.087,892 6.411,893 6.741,894 7.048,895 7.325,896 1,897 41,898 8.901,900 3.878,901 7.698,902 17.111,904 14.487,905 2.198,906 52.75,909 1,910 211.88,911 120.037,912 37.921,914 47.145,916 31.278,917 88.759,918 259.025,919 37.921,920 28.533,921 27.243,922 28.429,923 46.635,924 41.625,925 1.358,926 243.158,928 211.88,929 126.68,930 47.145,931 31.278,933 141.253,934 117.771,937 51.276,938 58.618,939 16.786,940 31.278,941 211.88,942 85.065,943 120.037,946 211.88,947 63.074,948 60.087,949 18.011,950 63.93,951 211.88,952 85.065,953 120.037,955 0.601,956 0.349,957 0.196,958 0.109,959 23,960 10,961 0.043,962 2,963 2,964 1.211,965 3.504,966 210.682,967 0.211,968 19,969 108.039,970 1,974 16.001,975 5.794,976 2.865,978 85.065,979 5.756,980 4.759,983 1.44,984 4.917,986 18.011,987 416.982,988 33.5,993 12.326,997 -0.034,999 43.433,1000 48.365,1001 0.316,1002 0.682,1003 0.858,1004 0.879,1005 0.879,1006 0.879,1007 4.842,1008 1.34,1009 5.849,1010 4.354,1011 4.419,1012 4.84,1013 1.968,1014 6.751,1015 4.281,1016 6.078,1017 0.869,1018 7.468,1019 3.394,1020 4.29,1021 4.82,1022 0.325,1023 7.947,1024 4.128,1025 7.423,1026 0.761,1027 9.188,1028 2.387,1029 6.155,1030 7.022,1031 1.818,1032 10.986,1033 5.905,1034 8.798,1035 0.444,1036 10.965,1037 1.904,1038 6.781,1039 7.755,1040 0.268,1041 12.923,1042 6.499,1043 10.201,1044 -0.226,1045 12.778,1046 0.698,1047 8.192,1048 9.494,1049 1.74,1050 15.544,1051 7.844,1052 11.623,1053 -0.431,1054 14.613,1055 -0.686,1056 9.134,1057 10.568,1058 0.188,1059 17.764,1060 8.747,1061 13.059,1062 -0.462,1063 16.465,1064 -1.053,1065 10.388,1066 12.122,1067 1.707,1068 20.251,1069 9.947,1070 3.349,1071 -0.504,1072 18.328,1073 -1.241,1074 11.465,1075 13.362,1076 0.125,1077 22.586,1078 10.983,1079 3.136,1080 11.55,1081 20.201,1082 -1.305,1083 12.665,1084 14.836,1085 1.708,1086 25.028,1087 12.137,1088 2.814,1089 10.892,1090 22.08,1091 4.165,1092 13.801,1093 16.16,1094 0.082,1095 27.411,1096 13.231,1097 2.463,1098 9.531,1099 23.965,1100 3.938,1101 14.985,1102 17.598,1103 1.735,1104 29.839,1105 14.372,1106 2.129,1107 7.798,1108 25.855,1109 3.229,1110 16.148,1111 18.964,1112 0.054,1113 32.245,1114 15.493,1115 1.897,1116 6.391,1117 27.748,1118 2.978,1119 17.33,1120 20.387,1121 1.783,1122 34.67,1123 16.635,1124 1.561,1125 5.777,1126 29.645,1127 2.709,1128 18.505,1129 21.774,1130 0.035,1131 37.087,1132 17.77,1133 5769,1134 9625,1135 17.8,1136 29.12,1137 42.098,1138 43.358,1139 43.049,1140 41.353,1141 41.525,1142 51,1143 7.157,1144 129.349,1145 38.541,1146 5.513,1147 5.725,1148 6.43,1149 5.449,1150 5.349,1151 7.165,1152 2.117,1153 18.894,1154 5.216,1155 12.336,1156 1.559,1157 1.606,1158 1.594,1159 1.532,1160 1.538,1161 1.889,1162 0.265,1163 4.791,1164 1.427,1165 4.036,1166 4.061,1167 4.276,1168 3.962,1169 7.429,1170 3.936,1171 3.901,1172 3.925,1173 3.886,1174 3.81,1175 4.944,1176 3.807,1177 3.58,1178 3.627,1179 3.596,1180 3.477,1181 4.762,1182 3.44,1183 3.439,1184 3.486,1185 3.348,1186 3.264,1187 4.555,1188 3.261,1189 3.199,1190 3.275,1191 3.076,1192 2.937,1193 4.285,1194 2.94,1195 3.132,1196 3.163,1197 2.995,1198 2.832,1199 4.142,1200 2.886,1201 2.919,1202 3.009,1203 2.8,1204 2.736,1205 3.745,1206 2.735,1207 2.874,1208 2.982,1209 2.744,1210 2.661,1211 3.512,1212 2.609,1213 0.169,1214 0.138,1215 0.255,1216 0.159,1217 0.124,1218 4.563,1219 0.154,1220 3.725,1221 0.039,1222 6.88,1223 0.428,1224 4.306,1225 0.119,1226 3.349,1227 4.165,1228 1.058,1229 11.55,1230 3.216,1231 1.906,1232 1.886,1233 1.999,1234 2.043,1235 1.262,1236 2.03,1237 1.825,1238 1.786,1239 1.987,1240 1.986,1241 1.177,1242 1.99,1243 1.488,1244 1.445,1245 1.708,1246 1.702,1247 0.922,1248 1.705,1249 1.335,1250 1.309,1251 1.551,1252 1.495,1253 0.691,1254 1.512,1255 1.175,1256 1.124,1257 1.509,1258 1.461,1259 0.572,1260 1.494,1261 1.157,1262 1.086,1263 1.417,1264 1.372,1265 0.469,1266 1.36,1267 0.934,1268 0.827,1269 1.195,1270 1.239,1271 0.441,1272 1.308,1273 0.879,1274 0.804,1275 1.133,1276 1.143,1277 0.216,1278 1.142,1279 4.007,1281 5.389,1282 2.398,1283 6.963,1284 4.727,1285 8.628,1286 6.862,1287 10.341,1289 5.671,1295 2.017,1296 3.034,1297 11.01,1300 2.113,1301 -0.258,1305 27.61,1306 73.622,1307 159.216,1308 200.31,1309 205.065,1310 205.065,1311 205.065,1312 36.818,1313 7.646,1314 63.69,1315 91.93,1316 23,1317 12.717,1318 3.7,1319 2.907,1320 33.805,1321 78,1322 86,1323 0.22,1324 170.205,1325 293.46,1326 407.06,1327 20659,1329 16.897,1330 0.704,1331 0.612,1332 17.251,1333 14.697,1334 11.465,1335 0.425,1336 0.322,1337 7.799,1338 10.484,1339 7.44,1340 6.158,1341 11.874,1342 8.69,1343 11.311,1344 0.276,1345 0.185,1346 11.927,1347 7.598,1348 9.201,1349 0.167,1350 0.097,1351 10.091,1352 5.334,1353 8.365,1354 0.107,1355 0.053,1356 9.273,1357 4.122,1358 6.646,1359 0.066,1360 0.03,1361 7.622,1362 3.066,1363 0.335,1364 76.803,1365 0.237,1366 22.906,1367 0.632,1368 136,1369 407.69,1370 178.615,1371 403.715,1372 557.86,1373 380,1374 164,1375 401.971,1376 206.242,1377 420.238,1378 624.09,1379 393,1380 5.947}
{0 CHEMBL512648,1 1.592,2 10.107,3 4.031,4 16.25,5 110.287,6 7.99,7 0.531,8 4.008,9 4.109,10 3.696,11 3.638,12 5.067,13 3.593,14 4.572,15 4.727,16 4.143,17 4.07,18 5.57,19 4.015,20 4.835,21 5.003,22 4.216,23 4.244,24 5.841,25 4.147,26 4.972,27 5.211,28 4.15,29 4.234,30 5.926,31 4.094,32 4.752,33 4.943,34 4.063,35 4.081,36 5.818,37 3.97,38 4.593,39 4.77,40 3.913,41 3.999,42 5.533,43 3.884,44 4.586,45 4.763,46 3.897,47 3.945,48 5.612,49 3.866,50 4.691,51 4.892,52 3.82,53 3.958,54 5.72,55 3.838,56 0.001,57 0.7,58 9.511,59 4.725,60 6.289,61 5.757,62 0.16,63 1.233,64 20.52,65 8.155,66 17.705,67 10.157,68 0.253,69 1.545,70 27.201,71 11.112,72 31.351,73 13.474,74 0.294,75 1.753,76 40.76,77 14.642,78 43.294,79 18.021,80 0.478,81 1.464,82 30.275,83 10.028,84 54.706,85 11.374,86 0.147,87 1.256,88 26.884,89 9.953,90 14.852,91 11.453,92 0.239,93 1.175,94 21.52,95 8.376,96 27.555,97 10.143,98 0.366,99 1.27,100 26.498,101 9.961,102 46.773,103 12.249,104 10,105 48,106 0.267,107 0.618,108 0.787,109 0.847,110 0.854,111 0.854,112 3.376,113 0.965,114 -4.46,115 -4.39,116 -4.13,119 44.9,120 2,121 2,123 1,125 2,142 5,143 2,144 2,145 2,146 1,152 1,157 1,162 1,172 10,174 1,175 8,183 12,186 1,187 9,195 7,198 1,199 13,207 5,211 2,212 8,220 5,223 1,224 6,232 3,236 1,237 4,245 5,249 2,250 6,258 9,263 4,271 9,275 1186,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.845,282 20.393,283 10.878,284 19.38,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.633,291 28.335,292 5.212,293 16.687,294 4.022,295 1.93,296 0.921,297 0.561,298 0.521,299 0.521,300 4.086,304 1,305 1,306 632,307 2.739,310 49.674,311 272.601,314 97.954,315 108.228,318 1.551,319 23.524,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 283,332 4.567,333 3.735,334 6.881,335 4.329,336 3.349,337 4.176,338 1.277,339 11.552,340 3.302,341 4.406,342 3.406,343 6.712,344 4.1,345 3.154,346 4.023,347 0.86,348 10.943,349 2.994,350 4.12,351 3.08,352 6.32,353 3.816,354 2.861,355 3.556,356 0.8,357 9.578,358 2.717,359 3.987,360 2.884,361 6.115,362 3.672,363 2.702,364 3.193,366 8.935,367 2.606,368 3.606,369 2.743,370 5.681,371 3.243,372 2.298,373 2.839,375 7.46,376 2.159,377 3.302,378 2.459,379 5.117,380 2.93,381 1.935,382 2.615,384 5.848,385 1.908,386 3.225,387 1.971,388 4.598,389 2.784,390 1.827,391 2.391,393 4.649,394 1.742,395 2.828,396 1.696,397 4.459,398 2.399,399 1.47,400 1.948,402 4.279,403 1.357,404 2.67,405 1.581,406 3.975,407 2.31,408 1.392,409 1.738,411 3.296,412 1.263,413 2.5,414 1.247,415 3.794,416 2.103,417 1.13,418 1.5,420 2.675,421 1.096,422 2.461,423 1.159,424 3.511,425 1.956,426 1,427 1.453,428 2.388,429 0.953,430 2.309,431 1,432 3.37,433 1.727,434 0.846,435 1.174,436 2.136,437 0.721,438 1.998,439 0.909,440 3.247,441 1.627,442 0.704,443 0.887,445 1.835,446 0.642,447 1.075,448 0.549,449 3.226,450 0.785,451 -0.182,452 -0.213,454 -0.51,455 -0.174,456 1.009,457 0.022,458 2.794,459 0.659,460 -0.308,461 -0.37,463 -0.886,464 -0.289,465 13.7,466 0.489,467 0.844,468 0.03,469 37,470 1.321,471 18.5,472 0.661,473 18.5,474 0.661,475 26.223,476 0.937,477 28.9,478 0.59,479 24.976,480 0.892,481 6.643,482 0.237,483 6.857,484 0.245,485 0.097,486 0.036,487 0.321,493 0.718,494 1.2,495 0.706,496 0.946,497 0.579,498 0.891,499 0.923,500 0.997,501 0.735,502 0.85,503 0.637,504 0.784,505 1.071,506 1.145,507 0.978,508 1.059,509 1.056,510 1.099,511 0.79,512 1.031,513 1.082,514 1.062,515 0.735,516 0.896,517 1.514,518 0.946,519 1.335,520 0.999,521 1.911,522 0.983,523 0.905,524 1.198,525 1.484,526 1.404,527 0.613,528 1.142,529 1.322,530 0.977,531 0.978,532 0.944,533 1.189,534 0.985,535 1.173,536 0.999,537 1.086,538 1.079,539 1.24,540 1.107,541 6.5,542 0.143,543 3.556,544 2.319,545 1.783,546 1.088,547 0.65,548 0.417,549 0.361,550 0.248,551 9757,552 23974,553 2.168,554 42.9,555 6,556 9,558 2,560 4,564 1.713,565 2.036,566 3.329,567 -0.778,569 1,573 78.02,574 1.592,575 3.685,576 4.694,577 5.053,578 5.094,579 5.094,580 2.74,581 4.28,582 4.78,583 3.463,584 1308.9,585 8.328,586 16597.1,588 1,590 1,591 275.121,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.048,598 0.04,599 0.028,600 0.018,601 0.011,602 0.011,603 0.011,604 0.453,605 0.33,606 0.88,607 0.517,608 138.307,609 0.001,610 -0.142,611 0.081,612 -0.011,613 -0.019,614 0.015,615 0.013,616 0.054,617 0.17,618 0.107,619 0.028,620 0.142,621 -0.054,622 -0.128,623 -0.061,624 -0.102,625 -0.111,626 -0.166,627 0.082,628 -0.045,629 0.102,630 0.036,631 0.146,632 0.135,633 -0.18,634 0.162,635 -0.17,636 0.044,637 -0.307,638 -0.063,639 -0.038,640 -0.131,641 -0.243,642 -0.25,643 0.013,644 -0.156,645 -0.101,646 0.032,647 -0.087,648 -0.024,649 -0.04,650 -0.064,651 0.033,652 -0.047,653 -0.121,654 -0.109,655 0.011,656 -0.141,657 1.451,658 5.602,659 0.893,660 23.005,661 1,662 1.114,663 3.229,664 10.428,665 0.703,666 3.497,667 3.892,668 4.19,669 4.533,670 4.804,671 4.963,672 5.142,673 5.328,674 5.472,675 5.565,676 6.043,677 0.662,678 391.53,679 3.497,680 5.081,681 5.958,682 6.878,683 7.772,684 8.696,685 9.597,686 10.522,687 11.428,688 12.355,689 6.1,697 1,699 2,704 7,705 2,708 1,709 7,711 17,716 1,726 1,729 1,731 49,733 18,734 1,735 32,737 53,738 22,739 14,740 3,741 3,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 2,761 15,762 7,766 1,771 1,775 1,778 1,781 21,782 5,784 6,785 1,790 3,794 0.6,795 2,805 1,811 1,812 4,815 1,816 1,840 3,842 1,844 2,848 28,854 4,856 1,859 1,860 1,863 1,870 4.1,873 1,875 1,877 13.75,878 9.683,879 5.833,880 3.017,881 3.169,882 1.383,883 1.01,884 4.24,885 11.435,886 3.75,887 4.373,888 4.955,889 5.569,890 6.07,891 6.399,892 6.828,893 7.225,894 7.601,895 7.935,896 0.857,897 48,898 10.397,900 4.577,901 7.604,902 20.234,904 17.515,905 2.104,906 58.917,908 1,909 1,910 247.193,911 150.292,912 36.695,914 36.145,916 31.278,917 119.014,918 283.338,919 36.695,920 17.65,921 11.767,922 47.381,923 87.392,924 49.848,925 1.358,926 254.929,928 247.193,929 155.71,930 36.145,931 31.278,933 247.193,934 36.145,937 53.894,938 68.244,939 33.571,940 31.278,941 247.193,942 72.84,943 150.292,946 247.193,947 67.166,948 86.251,950 69.716,951 247.193,952 72.84,953 150.292,955 0.599,956 0.346,957 0.196,958 0.109,959 27,960 11,961 0.038,962 2,963 2,964 1.16,965 3.915,966 265.252,967 0.16,968 25,969 132.606,970 1,974 17.813,975 6.665,976 3.256,978 72.84,979 13.799,980 9.101,983 1.513,984 6.628,987 470.325,988 41.5,993 12.602,997 0.215,999 48.989,1000 54.571,1001 0.284,1002 0.656,1003 0.836,1004 0.9,1005 0.907,1006 0.907,1007 5.032,1008 1.47,1009 5.994,1010 4.649,1011 4.575,1012 5.059,1013 1.903,1014 6.882,1015 4.483,1016 6.262,1017 1.392,1018 7.6,1019 4.279,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.274,1025 7.596,1026 1.13,1027 9.311,1028 3.296,1029 6.286,1030 7.242,1031 2.065,1032 11.095,1033 6.127,1034 8.961,1035 1,1036 11.082,1037 2.675,1038 6.868,1039 7.888,1040 0.268,1041 13.014,1042 6.701,1043 10.357,1044 0.846,1045 12.891,1046 2.388,1047 8.305,1048 9.709,1049 2.377,1050 15.634,1051 8.093,1052 11.773,1053 0.704,1054 14.723,1055 2.136,1056 9.223,1057 10.722,1058 0.188,1059 17.842,1060 8.997,1061 13.205,1062 -0.182,1063 16.571,1064 1.835,1065 10.486,1066 12.328,1067 2.77,1068 20.324,1069 10.228,1070 3.349,1071 -0.308,1072 18.432,1073 -0.51,1074 11.549,1075 13.529,1076 0.125,1077 22.65,1078 11.275,1079 3.154,1080 11.552,1081 20.301,1082 -0.886,1083 12.75,1084 15.033,1085 3.207,1086 25.086,1087 12.453,1088 2.861,1089 10.943,1090 22.177,1091 4.176,1092 13.877,1093 16.332,1094 0.082,1095 27.464,1096 13.564,1097 2.702,1098 9.578,1099 24.058,1100 4.023,1101 15.059,1102 17.788,1103 3.668,1104 29.887,1105 14.727,1106 2.298,1107 8.935,1108 25.943,1109 3.556,1110 16.215,1111 19.139,1112 0.054,1113 32.289,1114 15.869,1115 1.935,1116 7.46,1117 27.832,1118 3.193,1119 17.394,1120 20.572,1121 4.142,1122 34.71,1123 17.033,1124 1.827,1125 5.848,1126 29.725,1127 2.839,1128 18.565,1129 21.951,1130 0.035,1131 37.125,1132 18.19,1133 9024,1134 14303,1135 21.671,1136 34.426,1137 50.238,1138 50.994,1139 50.012,1140 49.21,1141 49.336,1142 62.989,1143 5.875,1144 151.147,1145 46.919,1146 5.516,1147 5.735,1148 6.683,1149 5.47,1150 5.349,1151 7.176,1152 2.555,1153 18.895,1154 5.302,1155 11.806,1156 1.57,1157 1.594,1158 1.563,1159 1.538,1160 1.542,1161 1.968,1162 0.184,1163 4.723,1164 1.466,1165 4.064,1166 4.088,1167 4.279,1168 4.001,1169 7.427,1170 3.982,1171 3.95,1172 3.974,1173 3.949,1174 3.896,1175 4.959,1176 3.879,1177 3.777,1178 3.819,1179 3.711,1180 3.652,1181 4.833,1182 3.659,1183 3.559,1184 3.601,1185 3.603,1186 3.503,1187 4.71,1188 3.454,1189 3.405,1190 3.461,1191 3.289,1192 3.249,1193 4.277,1194 3.242,1195 3.181,1196 3.214,1197 3.094,1198 2.957,1199 4.215,1200 2.979,1201 2.952,1202 3.009,1203 2.844,1204 2.823,1205 3.815,1206 2.817,1207 2.874,1208 3.007,1209 2.772,1210 2.742,1211 3.797,1212 2.728,1213 0.143,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.735,1221 0.04,1222 6.881,1223 0.361,1224 4.329,1225 0.103,1226 3.349,1227 4.176,1228 1.277,1229 11.552,1230 3.302,1231 1.975,1232 1.954,1233 2.059,1234 2.076,1235 1.375,1236 2.072,1237 1.883,1238 1.852,1239 2.047,1240 2.002,1241 1.215,1242 2.02,1243 1.742,1244 1.705,1245 1.868,1246 1.9,1247 1.024,1248 1.894,1249 1.458,1250 1.412,1251 1.672,1252 1.623,1253 0.811,1254 1.644,1255 1.336,1256 1.306,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.183,1262 1.136,1263 1.417,1264 1.393,1265 0.584,1266 1.391,1267 0.974,1268 0.931,1269 1.36,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.871,1275 1.18,1276 1.175,1277 0.391,1278 1.199,1279 4.174,1281 5.549,1282 2.398,1283 7.119,1284 4.727,1285 8.778,1286 6.862,1287 10.484,1289 4.272,1295 2.75,1297 5.875,1300 2.183,1301 -0.022,1305 32.422,1306 78.02,1307 180.557,1308 230.001,1309 247.611,1310 249.611,1311 249.611,1312 42.646,1313 8.266,1314 55.32,1315 83.56,1316 29,1317 12.863,1318 4.248,1319 3.392,1320 37.545,1321 100,1322 104,1323 0.183,1324 197.995,1325 339.99,1326 474.867,1327 46493,1329 19.303,1330 0.689,1331 0.598,1332 19.656,1333 16.753,1334 13.5,1335 0.422,1336 0.322,1337 9.445,1338 12.664,1339 9.059,1340 7.484,1341 13.908,1342 10.295,1343 13.195,1344 0.275,1345 0.19,1346 13.811,1347 9.115,1348 10.879,1349 0.167,1350 0.099,1351 11.769,1352 6.434,1353 9.933,1354 0.108,1355 0.054,1356 10.84,1357 5.012,1358 8.066,1359 0.067,1360 0.031,1361 9.036,1362 3.784,1363 0.281,1364 88.013,1365 0.215,1366 26.263,1367 0.52,1368 160,1369 425.267,1370 198.627,1371 433.136,1372 604.47,1373 408,1374 193,1375 439.284,1376 231.806,1377 462.663,1378 686.5,1379 435,1380 6.764}
{0 CHEMBL512650,1 1.592,2 10.107,3 4.031,4 16.25,5 110.287,6 7.99,7 0.531,8 4.008,9 4.109,10 3.696,11 3.638,12 5.067,13 3.593,14 4.572,15 4.727,16 4.143,17 4.07,18 5.571,19 4.015,20 4.835,21 5.003,22 4.214,23 4.248,24 5.837,25 4.149,26 4.97,27 5.207,28 4.148,29 4.245,30 5.92,31 4.102,32 4.765,33 4.957,34 4.064,35 4.095,36 5.823,37 3.979,38 4.612,39 4.796,40 3.913,41 3.999,42 5.544,43 3.884,44 4.578,45 4.755,46 3.894,47 3.942,48 5.601,49 3.867,50 4.69,51 4.884,52 3.815,53 3.972,54 5.721,55 3.846,56 0.001,57 0.7,58 9.511,59 4.725,60 6.289,61 5.757,62 0.16,63 1.233,64 20.52,65 8.155,66 18.038,67 10.157,68 0.263,69 1.544,70 27.242,71 11.107,72 31.402,73 13.459,74 0.281,75 1.742,76 40.464,77 14.77,78 41.796,79 18.176,80 0.463,81 1.472,82 30.614,83 10.369,84 54.618,85 11.86,86 0.138,87 1.276,88 27.628,89 10.041,90 16.069,91 11.616,92 0.227,93 1.176,94 21.292,95 8.234,96 26.157,97 9.863,98 0.368,99 1.243,100 26.007,101 10.254,102 46.475,103 12.456,104 10,105 48,106 0.267,107 0.618,108 0.773,109 0.827,110 0.827,111 0.827,112 3.376,113 0.965,114 -4.46,115 -4.39,116 -4.13,119 44.9,120 2,121 2,123 1,125 2,142 5,143 2,144 2,145 2,146 1,152 1,157 1,162 1,172 10,174 1,175 8,183 13,186 1,187 8,195 8,198 1,199 12,207 4,211 2,212 10,220 4,224 7,232 3,236 1,237 4,245 6,249 2,250 4,258 8,262 1,263 5,271 10,275 1186,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 16.845,282 20.393,283 10.878,284 19.388,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.633,291 28.335,292 5.212,293 16.693,294 4.022,295 1.93,296 1.002,297 0.684,298 0.684,299 0.684,300 4.086,304 1,305 1,306 632,307 2.739,310 49.674,311 272.601,314 97.954,315 108.228,318 1.551,319 23.275,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 283,332 4.567,333 3.735,334 6.881,335 4.329,336 3.349,337 4.176,338 1.277,339 11.552,340 3.302,341 4.406,342 3.406,343 6.712,344 4.1,345 3.154,346 4.023,347 0.86,348 10.943,349 2.996,350 4.12,351 3.08,352 6.32,353 3.817,354 2.861,355 3.556,356 0.8,357 9.578,358 2.72,359 3.987,360 2.884,361 6.115,362 3.673,363 2.702,364 3.193,366 8.935,367 2.608,368 3.606,369 2.743,370 5.681,371 3.243,372 2.298,373 2.839,375 7.46,376 2.159,377 3.302,378 2.459,379 5.117,380 2.93,381 1.935,382 2.615,384 5.848,385 1.908,386 3.225,387 1.971,388 4.598,389 2.779,390 1.827,391 2.391,393 4.649,394 1.733,395 2.828,396 1.696,397 4.459,398 2.397,399 1.47,400 1.948,402 4.279,403 1.354,404 2.67,405 1.581,406 3.975,407 2.307,408 1.392,409 1.738,411 3.296,412 1.258,413 2.5,414 1.247,415 3.794,416 2.085,417 1.13,418 1.5,420 2.675,421 1.074,422 2.461,423 1.159,424 3.511,425 1.984,426 1,427 1.453,428 2.388,429 0.983,430 2.309,431 1,432 3.37,433 1.727,434 0.846,435 1.174,436 2.136,437 0.721,438 1.998,439 0.909,440 3.247,441 1.626,442 0.704,443 0.887,445 1.835,446 0.641,447 1.075,448 0.549,449 3.226,450 0.785,451 -0.182,452 -0.213,454 -0.51,455 -0.174,456 1.009,457 0.022,458 2.794,459 0.66,460 -0.308,461 -0.37,463 -0.886,464 -0.29,465 13.7,466 0.489,467 0.844,468 0.03,469 37,470 1.321,471 18.5,472 0.661,473 18.5,474 0.661,475 26.239,476 0.937,477 28.9,478 0.59,479 24.96,480 0.891,481 6.643,482 0.237,483 6.857,484 0.245,485 0.097,486 0.036,487 0.321,493 0.718,494 1.2,495 0.706,496 0.946,497 0.579,498 0.891,499 0.923,500 0.997,501 0.735,502 0.85,503 0.634,504 0.784,505 1.081,506 1.107,507 0.982,508 1.041,509 1.062,510 1.088,511 0.76,512 1.03,513 1.088,514 1.08,515 0.726,516 0.917,517 1.439,518 0.969,519 1.314,520 1.024,521 1.853,522 1.005,523 0.949,524 1.225,525 1.46,526 1.373,527 0.614,528 1.112,529 1.417,530 0.903,531 1,532 0.921,533 1.224,534 0.969,535 1.165,536 1.038,537 1.101,538 1.095,539 1.234,540 1.143,541 6.5,542 0.143,543 3.556,544 2.319,545 1.783,546 1.088,547 0.65,548 0.417,549 0.361,550 0.248,551 9757,552 24134,553 2.168,554 42.9,555 6,556 9,558 2,560 4,564 1.713,565 2.036,566 3.329,567 -0.778,569 1,573 78.02,574 1.592,575 3.685,576 4.612,577 4.931,578 4.931,579 4.931,580 2.74,581 4.28,582 4.78,583 3.463,584 1308.9,585 8.328,586 16597.1,588 1,590 1,591 275.121,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.048,598 0.04,599 0.028,600 0.018,601 0.011,602 0.011,603 0.011,604 0.453,605 0.33,606 0.88,607 0.517,608 138.307,609 0.001,610 -0.142,611 0.081,612 -0.011,613 -0.019,614 0.015,615 0.013,616 0.054,617 0.17,618 0.107,619 0.032,620 0.142,621 -0.064,622 -0.089,623 -0.065,624 -0.084,625 -0.118,626 -0.154,627 0.087,628 -0.052,629 0.091,630 0.023,631 0.141,632 0.118,633 -0.151,634 0.119,635 -0.157,636 0.024,637 -0.287,638 -0.074,639 -0.075,640 -0.16,641 -0.22,642 -0.227,643 0.017,644 -0.125,645 -0.171,646 0.118,647 -0.109,648 -0.006,649 -0.068,650 -0.055,651 0.058,652 -0.108,653 -0.141,654 -0.116,655 0.014,656 -0.171,657 1.45,658 5.603,659 0.893,660 23.005,661 1,662 1.114,663 3.229,664 10.428,665 0.703,666 3.497,667 3.892,668 4.19,669 4.533,670 4.804,671 4.963,672 5.142,673 5.328,674 5.472,675 5.565,676 6.043,677 0.662,678 391.53,679 3.497,680 5.081,681 5.958,682 6.878,683 7.772,684 8.696,685 9.597,686 10.522,687 11.428,688 12.355,689 6.1,697 1,699 2,704 7,705 2,708 1,709 7,711 17,716 1,726 1,729 1,731 49,733 18,734 1,735 32,737 53,738 22,739 14,740 3,741 3,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 2,761 15,762 7,766 1,771 1,775 1,778 1,781 21,782 5,784 6,785 1,790 3,794 0.6,795 2,805 1,811 1,812 4,815 1,816 1,840 3,842 1,844 2,848 28,854 4,856 1,859 1,860 1,863 1,870 4.1,873 1,875 1,877 13.75,878 9.683,879 5.833,880 3.017,881 3.169,882 1.383,883 1.01,884 4.24,885 11.435,886 3.75,887 4.373,888 4.955,889 5.569,890 6.07,891 6.399,892 6.828,893 7.225,894 7.601,895 7.935,896 0.857,897 48,898 10.395,900 4.574,901 7.604,902 20.234,904 17.515,905 2.104,906 58.917,908 1,909 1,910 247.193,911 150.292,912 36.695,914 36.145,916 31.278,917 119.014,918 283.338,919 36.695,920 17.65,921 11.767,922 47.381,923 87.392,924 49.848,925 1.358,926 254.929,928 247.193,929 155.71,930 36.145,931 31.278,933 247.193,934 36.145,937 53.894,938 68.244,939 33.571,940 31.278,941 247.193,942 72.84,943 150.292,946 247.193,947 67.166,948 86.251,950 69.716,951 247.193,952 72.84,953 150.292,955 0.599,956 0.346,957 0.196,958 0.109,959 27,960 11,961 0.038,962 2,963 2,964 1.16,965 3.915,966 265.252,967 0.16,968 25,969 128.606,970 1,974 17.813,975 6.665,976 3.256,978 72.84,979 13.805,980 8.981,983 1.516,984 6.718,987 470.325,988 41.5,993 12.603,997 0.217,999 48.989,1000 54.571,1001 0.284,1002 0.656,1003 0.821,1004 0.878,1005 0.878,1006 0.878,1007 5.032,1008 1.47,1009 5.994,1010 4.649,1011 4.575,1012 5.059,1013 1.903,1014 6.882,1015 4.483,1016 6.262,1017 1.392,1018 7.6,1019 4.279,1020 4.369,1021 4.924,1022 0.325,1023 8.038,1024 4.274,1025 7.596,1026 1.13,1027 9.311,1028 3.296,1029 6.286,1030 7.242,1031 2.065,1032 11.095,1033 6.128,1034 8.961,1035 1,1036 11.082,1037 2.675,1038 6.868,1039 7.888,1040 0.268,1041 13.014,1042 6.702,1043 10.357,1044 0.846,1045 12.891,1046 2.388,1047 8.305,1048 9.709,1049 2.377,1050 15.634,1051 8.094,1052 11.773,1053 0.704,1054 14.723,1055 2.136,1056 9.223,1057 10.722,1058 0.188,1059 17.842,1060 8.999,1061 13.205,1062 -0.182,1063 16.571,1064 1.835,1065 10.486,1066 12.328,1067 2.77,1068 20.324,1069 10.23,1070 3.349,1071 -0.308,1072 18.432,1073 -0.51,1074 11.549,1075 13.529,1076 0.125,1077 22.65,1078 11.278,1079 3.154,1080 11.552,1081 20.301,1082 -0.886,1083 12.75,1084 15.033,1085 3.207,1086 25.086,1087 12.455,1088 2.861,1089 10.943,1090 22.177,1091 4.176,1092 13.877,1093 16.332,1094 0.082,1095 27.464,1096 13.566,1097 2.702,1098 9.578,1099 24.058,1100 4.023,1101 15.059,1102 17.788,1103 3.668,1104 29.887,1105 14.73,1106 2.298,1107 8.935,1108 25.943,1109 3.556,1110 16.215,1111 19.139,1112 0.054,1113 32.289,1114 15.871,1115 1.935,1116 7.46,1117 27.832,1118 3.193,1119 17.394,1120 20.572,1121 4.142,1122 34.71,1123 17.035,1124 1.827,1125 5.848,1126 29.725,1127 2.839,1128 18.565,1129 21.951,1130 0.035,1131 37.125,1132 18.192,1133 9024,1134 14347,1135 21.671,1136 34.426,1137 50.238,1138 50.994,1139 50.012,1140 49.213,1141 49.336,1142 62.989,1143 5.875,1144 151.147,1145 46.915,1146 5.516,1147 5.735,1148 6.683,1149 5.47,1150 5.349,1151 7.176,1152 2.555,1153 18.895,1154 5.302,1155 11.806,1156 1.57,1157 1.594,1158 1.563,1159 1.538,1160 1.542,1161 1.968,1162 0.184,1163 4.723,1164 1.466,1165 4.064,1166 4.088,1167 4.279,1168 4.002,1169 7.427,1170 3.984,1171 3.951,1172 3.974,1173 3.949,1174 3.899,1175 4.957,1176 3.881,1177 3.776,1178 3.818,1179 3.711,1180 3.648,1181 4.837,1182 3.656,1183 3.558,1184 3.6,1185 3.603,1186 3.501,1187 4.712,1188 3.452,1189 3.403,1190 3.46,1191 3.286,1192 3.243,1193 4.287,1194 3.236,1195 3.181,1196 3.214,1197 3.093,1198 2.957,1199 4.215,1200 2.978,1201 2.943,1202 3.009,1203 2.836,1204 2.78,1205 3.807,1206 2.781,1207 2.874,1208 3.002,1209 2.765,1210 2.735,1211 3.689,1212 2.715,1213 0.143,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.567,1219 0.131,1220 3.735,1221 0.04,1222 6.881,1223 0.361,1224 4.329,1225 0.103,1226 3.349,1227 4.176,1228 1.277,1229 11.552,1230 3.302,1231 1.978,1232 1.956,1233 2.061,1234 2.077,1235 1.375,1236 2.073,1237 1.883,1238 1.852,1239 2.047,1240 2.002,1241 1.218,1242 2.02,1243 1.739,1244 1.702,1245 1.864,1246 1.899,1247 1.028,1248 1.893,1249 1.452,1250 1.407,1251 1.665,1252 1.621,1253 0.8,1254 1.64,1255 1.336,1256 1.305,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.183,1262 1.135,1263 1.417,1264 1.393,1265 0.584,1266 1.391,1267 0.972,1268 0.928,1269 1.36,1270 1.239,1271 0.469,1272 1.308,1273 0.934,1274 0.821,1275 1.181,1276 1.174,1277 0.39,1278 1.199,1279 4.174,1281 5.549,1282 2.398,1283 7.119,1284 4.727,1285 8.778,1286 6.862,1287 10.484,1289 4.274,1295 2.758,1297 5.878,1300 2.187,1301 -0.021,1305 32.422,1306 78.02,1307 180.557,1308 226.001,1309 241.611,1310 241.611,1311 241.611,1312 42.442,1313 8.266,1314 55.32,1315 83.56,1316 29,1317 12.863,1318 4.248,1319 3.392,1320 37.545,1321 100,1322 104,1323 0.183,1324 197.995,1325 339.99,1326 474.867,1327 46493,1329 19.303,1330 0.689,1331 0.598,1332 19.656,1333 16.753,1334 13.5,1335 0.422,1336 0.322,1337 9.445,1338 12.661,1339 9.06,1340 7.482,1341 13.908,1342 10.295,1343 13.195,1344 0.275,1345 0.19,1346 13.811,1347 9.109,1348 10.879,1349 0.167,1350 0.099,1351 11.769,1352 6.453,1353 9.933,1354 0.108,1355 0.055,1356 10.84,1357 5.023,1358 8.066,1359 0.067,1360 0.031,1361 9.036,1362 3.783,1363 0.281,1364 88.013,1365 0.215,1366 26.263,1367 0.52,1368 160,1369 425.267,1370 198.627,1371 433.005,1372 604.43,1373 408,1374 193,1375 439.284,1376 231.64,1377 462.368,1378 686.06,1379 435,1380 6.084}
{0 CHEMBL512815,1 1.748,2 8.609,3 4.412,4 19.463,5 94.93,6 9.833,7 0.423,8 3.809,9 3.902,10 3.67,11 3.465,12 4.835,13 3.404,14 4.394,15 4.544,16 4.178,17 3.912,18 5.377,19 3.839,20 4.662,21 4.821,22 4.246,23 4.086,24 5.67,25 3.965,26 4.792,27 5.034,28 4.201,29 4.039,30 5.756,31 3.88,32 4.483,33 4.661,34 4.052,35 3.829,36 5.584,37 3.692,38 4.259,39 4.423,40 3.812,41 3.725,42 5.169,43 3.552,44 4.181,45 4.355,46 3.974,47 3.592,48 5.207,49 3.468,50 4.269,51 4.463,52 3.613,53 3.541,54 5.333,55 3.403,56 0.019,57 0.555,58 5.079,59 3.886,60 3.933,61 4.607,62 0.174,63 1.003,64 15.589,65 7.216,66 14.959,67 8.506,68 0.302,69 1.261,70 26.646,71 10.078,72 28.249,73 11.186,74 0.391,75 1.441,76 46.042,77 13.558,78 39.606,79 15.33,80 0.511,81 1.099,82 23.305,83 8.141,84 50.196,85 8.107,86 0.144,87 0.865,88 30.515,89 8.698,90 9.875,91 8.895,92 0.202,93 0.724,94 31.115,95 6.683,96 19.534,97 7.124,98 0.27,99 0.741,100 15.222,101 6.892,102 36.94,103 8.331,104 17,105 40,106 0.31,107 0.649,108 0.793,109 0.832,110 0.832,111 0.832,112 3.19,113 1.069,114 -4.7,115 -4.61,116 -4.34,117 1,119 42.5,120 2,121 2,123 1,125 2,142 3,144 3,146 1,152 1,157 1,162 1,172 5,174 1,175 6,183 9,186 1,187 6,195 4,198 1,199 10,207 2,211 2,212 6,220 4,224 2,232 1,237 3,245 5,249 1,250 4,258 6,263 2,271 5,275 637,276 15.118,277 15.118,278 15.118,279 15.118,280 15.118,281 13.705,282 22.037,283 8.516,284 15.703,285 12.863,286 12.863,287 12.863,288 12.863,289 12.863,290 10.566,291 29.897,292 4.078,293 13.928,294 3.574,295 1.67,296 0.857,297 0.638,298 0.638,299 0.638,300 3.883,304 1,305 1,306 435,307 2.646,310 39.183,311 152.468,314 77.05,315 85.255,318 1.278,319 21.294,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.75,331 198,332 4.563,333 3.735,334 6.88,335 4.329,336 3.349,337 4.165,338 1.277,339 11.55,340 3.302,341 4.36,342 3.41,343 6.699,344 4.064,345 3.134,346 3.93,347 0.86,348 10.888,349 2.901,350 4.051,351 3.08,352 6.31,353 3.751,354 2.81,355 3.223,356 0.8,357 9.526,358 2.643,359 3.701,360 2.936,361 5.736,362 3.338,363 2.42,364 2.946,366 7.689,367 2.196,368 3.43,369 2.694,370 5.134,371 3.006,372 2.071,373 2.683,375 5.978,376 1.931,377 3.182,378 2.422,379 4.938,380 2.802,381 1.881,382 2.333,384 5.561,385 1.608,386 2.878,387 1.882,388 4.529,389 2.48,390 1.555,391 2.008,393 4.34,394 1.413,395 2.499,396 1.554,397 4.02,398 2.247,399 1.334,400 1.497,402 3.374,403 1.2,404 2.307,405 1.25,406 3.794,407 1.737,408 0.858,409 1.174,411 2.387,412 0.727,413 2.023,414 0.981,415 3.368,416 1.645,417 0.733,418 0.923,420 1.876,421 0.651,422 1.046,423 0.549,424 3.227,425 0.752,426 -0.22,427 -0.257,428 -0.553,429 -0.134,430 1.009,431 0.355,432 2.794,433 0.576,434 -0.24,435 -0.277,436 -0.687,437 -0.217,438 0.836,439 -0.035,440 2.595,441 0.572,442 -0.435,443 -0.494,445 -1.23,446 -0.397,447 0.741,448 -0.204,449 2.436,450 0.49,451 -0.463,452 -0.56,454 -1.304,455 -0.477,456 0.412,457 -0.412,458 2.272,459 0.038,460 -0.876,461 -1,463 -2.326,464 -0.682,465 12.133,466 0.528,467 0.831,468 0.036,469 27.5,470 1.196,471 12.5,472 0.543,473 15,474 0.652,475 24.464,476 1.064,477 23.867,478 0.597,479 15.313,480 0.666,481 4.49,482 0.195,483 6.437,484 0.28,485 0.22,486 0.041,487 0.321,493 0.696,494 1.199,495 0.494,496 0.807,497 0.564,498 0.843,499 0.856,500 1.007,501 0.523,502 0.728,503 0.577,504 0.714,505 1.098,506 1.18,507 0.861,508 1.009,509 1.073,510 1.098,511 0.726,512 1.023,513 0.645,514 0.965,515 0.696,516 0.834,517 1.561,518 0.924,519 0.712,520 0.912,521 2.118,522 0.974,523 0.867,524 1.296,525 1.371,526 1.559,527 0.679,528 1.281,529 1.14,530 0.893,531 1.052,532 0.926,533 1.344,534 1.028,535 1.056,536 0.98,537 0.594,538 0.841,539 1.38,540 1.1,541 6.5,542 0.078,543 3.111,544 2.382,545 1.832,546 0.782,547 0.589,548 0.362,549 0.315,550 0.147,551 5337,552 15331,553 2.104,554 42.5,555 6,556 7,560 4,564 1.66,565 1.93,566 3.093,567 -0.729,569 1,573 69.903,574 1.748,575 3.652,576 4.465,577 4.684,578 4.684,579 4.684,580 2.525,581 4.176,582 4.499,583 3.207,584 811.3,585 7.757,586 8803.76,588 1,590 1,591 212.877,592 1.688,593 4.43,594 0.25,595 0.016,596 0.078,597 0.061,598 0.051,599 0.028,600 0.025,601 0.016,602 0.017,603 0.013,604 0.553,605 0.33,606 1,607 0.636,608 105.219,609 -0.013,610 -0.141,611 0.011,612 -0.01,613 -0.03,614 0.009,615 0.027,616 0.045,617 0.071,618 0.123,619 0.059,620 0.179,621 -0.089,622 -0.153,623 -0.074,624 -0.114,625 -0.13,626 -0.196,627 0.142,628 -0.015,629 0.065,630 0.042,631 0.181,632 0.18,633 -0.21,634 0.229,635 -0.05,636 0.052,637 -0.364,638 -0.097,639 -0.122,640 -0.229,641 -0.207,642 -0.355,643 -0.036,644 -0.268,645 -0.106,646 0.07,647 0.04,648 -0.023,649 -0.06,650 -0.096,651 0.073,652 -0.136,653 0.022,654 -0.056,655 0.046,656 -0.16,657 1.44,658 5.408,659 0.826,660 15.509,661 1.006,662 1.112,663 3.465,664 12.007,665 0.725,666 3.296,667 3.714,668 3.989,669 4.344,670 4.595,671 4.745,672 4.868,673 5.03,674 5.13,675 5.153,676 5.128,677 0.672,678 393.33,679 3.296,680 4.89,681 5.765,682 6.696,683 7.588,684 8.52,685 9.42,686 10.351,687 11.256,688 12.186,689 5,697 1,699 1,704 3,705 1,708 1,709 6,711 11,716 1,726 1,729 1,730 1,731 40,733 12,734 1,735 26,736 1,737 43,738 17,739 9,740 3,741 3,742 1,746 4,747 6,752 2,753 1,754 1,755 2,758 2,761 10,762 7,766 1,771 1,775 1,778 1,781 17,782 4,784 6,785 2,790 2,794 0.5,795 2,811 1,812 3,815 1,816 1,840 2,842 1,843 1,844 2,848 23,854 4,856 1,859 1,860 1,863 1,869 1,870 5,873 1,875 1,877 11.917,878 8.043,879 4.722,880 2.468,881 2.216,882 1.294,883 0.995,884 3.766,885 9.762,886 3.512,887 4.139,888 4.683,889 5.288,890 5.728,891 6.042,892 6.35,893 6.699,894 7.007,895 7.261,896 0.833,897 39,898 8.555,900 3.765,901 7.63,902 16.657,904 14.47,905 2.13,906 49,909 1,910 200.109,911 109.929,912 65.864,914 36.145,916 31.278,917 124.605,918 236.254,919 19.91,920 17.65,921 11.767,922 28.429,923 47.064,924 28.437,925 1.358,926 231.386,927 45.954,928 200.109,929 98.561,930 36.145,931 31.278,932 45.954,933 200.109,934 36.145,937 35.799,938 45.976,939 16.786,940 77.232,941 200.109,942 56.055,943 155.883,946 200.109,947 63.849,948 49.203,949 45.954,950 52.93,951 200.109,952 56.055,953 155.883,955 0.608,956 0.345,957 0.196,958 0.11,959 23,960 10,961 0.023,962 1,963 2,964 1.211,965 3.412,966 200.159,967 0.211,968 19,969 102.042,970 1,974 15.584,975 5.557,976 2.824,978 56.055,979 6.01,980 4.798,983 1.516,984 5.546,987 412.046,988 32.5,993 12.408,997 0.226,999 40.233,1000 44.499,1001 0.328,1002 0.686,1003 0.839,1004 0.88,1005 0.88,1006 0.88,1007 4.818,1008 1.334,1009 5.826,1010 4.34,1011 4.394,1012 4.824,1013 1.903,1014 6.73,1015 4.255,1016 6.062,1017 0.858,1018 7.446,1019 3.374,1020 4.29,1021 4.82,1022 0.325,1023 7.928,1024 4.12,1025 7.41,1026 0.733,1027 9.167,1028 2.387,1029 6.133,1030 7.01,1031 2.065,1032 10.969,1033 5.909,1034 8.785,1035 -0.22,1036 10.946,1037 1.876,1038 6.77,1039 7.745,1040 0.268,1041 12.909,1042 6.529,1043 10.188,1044 -0.24,1045 12.76,1046 -0.553,1047 8.174,1048 9.482,1049 2.377,1050 15.533,1051 7.893,1052 11.61,1053 -0.435,1054 14.596,1055 -0.687,1056 9.122,1057 10.556,1058 0.188,1059 17.756,1060 8.829,1061 13.046,1062 -0.463,1063 16.449,1064 -1.23,1065 10.374,1066 12.111,1067 2.77,1068 20.244,1069 10.052,1070 3.349,1071 -0.876,1072 18.314,1073 -1.304,1074 11.455,1075 13.351,1076 0.125,1077 22.581,1078 11.12,1079 3.134,1080 11.55,1081 20.188,1082 -2.326,1083 12.655,1084 14.826,1085 3.207,1086 25.023,1087 12.299,1088 2.81,1089 10.888,1090 22.069,1091 4.165,1092 13.793,1093 16.149,1094 0.082,1095 27.408,1096 13.424,1097 2.42,1098 9.526,1099 23.955,1100 3.93,1101 14.977,1102 17.588,1103 3.668,1104 29.836,1105 14.594,1106 2.071,1107 7.689,1108 25.846,1109 3.223,1110 16.141,1111 18.953,1112 0.054,1113 32.242,1114 15.746,1115 1.881,1116 5.978,1117 27.741,1118 2.946,1119 17.323,1120 20.376,1121 4.142,1122 34.667,1123 16.917,1124 1.555,1125 5.561,1126 29.638,1127 2.683,1128 18.499,1129 21.763,1130 0.035,1131 37.084,1132 18.083,1133 5092,1134 8778,1135 17.107,1136 29.012,1137 40.988,1138 42.162,1139 41.58,1140 40.335,1141 40.287,1142 49.764,1143 5.875,1144 126.336,1145 37.142,1146 5.513,1147 5.735,1148 6.399,1149 5.47,1150 5.349,1151 7.165,1152 2.555,1153 18.894,1154 5.302,1155 11.85,1156 1.576,1157 1.622,1158 1.599,1159 1.551,1160 1.55,1161 1.914,1162 0.226,1163 4.859,1164 1.429,1165 4.042,1166 4.064,1167 6.88,1168 3.988,1169 7.427,1170 3.956,1171 3.907,1172 3.929,1173 4.277,1174 3.848,1175 4.9,1176 3.832,1177 3.58,1178 3.622,1179 3.815,1180 3.521,1181 4.724,1182 3.471,1183 3.422,1184 3.473,1185 3.608,1186 3.28,1187 4.333,1188 3.262,1189 3.181,1190 3.214,1191 3.244,1192 2.957,1193 4.216,1194 2.978,1195 2.943,1196 3.009,1197 3.093,1198 2.83,1199 3.829,1200 2.794,1201 2.874,1202 3,1203 2.811,1204 2.678,1205 3.5,1206 2.647,1207 2.781,1208 2.86,1209 2.747,1210 2.66,1211 3.467,1212 2.583,1213 0.175,1214 0.144,1215 0.265,1216 0.166,1217 0.129,1218 4.563,1219 0.16,1220 3.735,1221 0.049,1222 6.88,1223 0.444,1224 4.329,1225 0.127,1226 3.349,1227 4.165,1228 1.277,1229 11.55,1230 3.302,1231 1.907,1232 1.888,1233 2.048,1234 2.029,1235 1.375,1236 2.024,1237 1.883,1238 1.852,1239 1.974,1240 1.999,1241 1.18,1242 2.015,1243 1.481,1244 1.438,1245 1.679,1246 1.644,1247 0.926,1248 1.669,1249 1.336,1250 1.308,1251 1.526,1252 1.498,1253 0.693,1254 1.519,1255 1.184,1256 1.136,1257 1.417,1258 1.394,1259 0.584,1260 1.39,1261 0.971,1262 0.929,1263 1.36,1264 1.239,1265 0.469,1266 1.308,1267 0.934,1268 0.804,1269 1.146,1270 1.169,1271 0.387,1272 1.193,1273 0.841,1274 0.795,1275 1.017,1276 0.992,1277 0.193,1278 1.039,1279 3.97,1281 5.361,1282 2.398,1283 6.938,1284 4.727,1285 8.605,1286 6.862,1287 10.32,1288 3.477,1289 4.267,1295 2.835,1297 5.751,1300 2.161,1301 0.003,1305 26.899,1306 69.903,1307 146.064,1308 178.612,1309 187.367,1310 187.367,1311 187.367,1312 36.176,1313 7.546,1314 42.43,1315 70.67,1316 23,1317 12.692,1318 3.7,1319 2.907,1320 31.774,1321 71,1322 70,1323 0.227,1324 171.328,1325 292.95,1326 409.801,1327 18233,1328 2.5,1329 16.19,1330 0.704,1331 0.672,1332 17.543,1333 15.46,1334 10.927,1335 0.42,1336 0.356,1337 7.689,1338 9.593,1339 7.292,1340 5.996,1341 11.913,1342 9.267,1343 11.142,1344 0.279,1345 0.218,1346 12.574,1347 8.719,1348 8.777,1349 0.166,1350 0.111,1351 10.192,1352 5.895,1353 8.132,1354 0.107,1355 0.061,1356 9.509,1357 4.616,1358 6.456,1359 0.066,1360 0.036,1361 7.917,1362 3.55,1363 0.344,1364 80.45,1365 0.242,1366 21.978,1367 0.66,1368 132,1369 364.276,1370 235.11,1371 406.472,1372 549.66,1373 380,1374 159,1375 366.905,1376 224.572,1377 399.407,1378 594.86,1379 375,1380 5.546}
{0 CHEMBL512834,1 1.569,2 10.759,3 4.314,4 18.608,5 114.878,6 7.799,7 0.515,8 4.059,9 4.163,10 3.724,11 3.684,12 5.102,13 3.634,14 4.628,15 4.791,16 4.178,17 4.113,18 5.612,19 4.055,20 4.884,21 5.053,22 4.252,23 4.291,24 5.894,25 4.194,26 5.029,27 5.269,28 4.175,29 4.288,30 5.974,31 4.141,32 4.82,33 5.027,34 4.084,35 4.125,36 5.851,37 4.006,38 4.622,39 4.797,40 3.954,41 4.041,42 5.561,43 3.929,44 4.644,45 4.816,46 3.947,47 4.019,48 5.67,49 3.936,50 4.788,51 5.001,52 3.875,53 4.039,54 5.782,55 3.91,56 0.009,57 0.742,58 10.544,59 5.096,60 6.535,61 6.331,62 0.169,63 1.302,64 22.501,65 8.796,66 18.015,67 11.219,68 0.288,69 1.637,70 29.197,71 11.521,72 34.077,73 14.223,74 0.301,75 1.844,76 42.546,77 15.392,78 45.636,79 19.219,80 0.498,81 1.546,82 33.199,83 10.89,84 56.322,85 12.895,86 0.156,87 1.294,88 27.637,89 10.243,90 14.773,91 11.978,92 0.239,93 1.249,94 22.772,95 8.96,96 28.203,97 11.074,98 0.378,99 1.392,100 29.598,101 11.1,102 48.567,103 14.048,104 17,105 50,106 0.26,107 0.605,108 0.792,109 0.842,110 0.848,111 0.848,112 3.409,113 0.974,114 -4.67,115 -4.59,116 -4.32,119 44.2,120 3,121 2,123 1,125 2,142 5,143 2,144 2,145 1,146 2,152 1,157 1,162 1,172 10,174 1,175 9,183 13,186 1,187 9,195 8,198 1,199 13,207 6,211 2,212 8,220 6,223 1,224 6,232 5,236 1,237 4,245 6,249 2,250 7,258 9,263 5,271 9,275 1318,276 19.342,277 19.342,278 19.342,279 19.342,280 19.342,281 17.268,282 22.818,283 10.964,284 19.829,285 16.317,286 16.317,287 16.317,288 16.317,289 16.317,290 13.038,291 29.806,292 5.249,293 17.16,294 4.132,295 2.05,296 0.921,297 0.62,298 0.582,299 0.582,300 4.117,304 1,305 1,306 693,307 2.828,310 52.419,311 287.953,314 103.267,315 114.839,318 1.698,319 24.21,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61.5,331 312,332 4.567,333 3.735,334 6.881,335 4.329,336 3.349,337 4.177,338 1.277,339 11.552,340 3.302,341 4.408,342 3.406,343 6.712,344 4.101,345 3.155,346 4.032,347 0.86,348 10.943,349 2.997,350 4.142,351 3.08,352 6.32,353 3.826,354 2.869,355 3.64,356 0.8,357 9.579,358 2.729,359 4.009,360 2.897,361 6.12,362 3.688,363 2.723,364 3.209,366 8.953,367 2.616,368 3.681,369 2.779,370 5.682,371 3.302,372 2.345,373 3.027,375 7.466,376 2.24,377 3.559,378 2.47,379 5.117,380 3.183,381 2.228,382 2.804,384 6.08,385 2.118,386 3.249,387 2.442,388 5.04,389 2.921,390 1.93,391 2.402,393 5.847,394 1.891,395 2.905,396 1.877,397 4.589,398 2.5,399 1.556,400 2.065,402 4.437,403 1.463,404 2.826,405 1.584,406 4.332,407 2.364,408 1.431,409 1.948,411 4.033,412 1.327,413 2.5,414 1.423,415 3.962,416 2.242,417 1.292,418 1.5,420 3.212,421 1.21,422 2.474,423 1.246,424 3.794,425 1.959,426 1,427 1.47,428 2.391,429 0.956,430 2.31,431 1,432 3.414,433 1.731,434 0.849,435 1.176,436 2.275,437 0.725,438 2.006,439 0.926,440 3.379,441 1.635,442 0.713,443 0.898,445 1.856,446 0.649,447 1.225,448 0.549,449 3.227,450 0.904,451 -0.062,452 -0.075,454 -0.148,455 -0.06,456 1.031,457 0.166,458 2.794,459 0.737,460 -0.242,461 -0.281,463 -0.711,464 -0.232,465 14.2,466 0.49,467 0.95,468 0.033,469 37.5,470 1.293,471 18.5,472 0.638,473 19,474 0.655,475 28.435,476 0.981,477 30.2,478 0.581,479 25.759,480 0.888,481 6.691,482 0.231,483 7.202,484 0.248,485 0.129,486 0.035,487 0.345,493 0.718,494 1.21,495 0.723,496 0.964,497 0.602,498 0.913,499 0.895,500 1.013,501 0.707,502 0.843,503 0.61,504 0.767,505 1.146,506 1.138,507 1.007,508 1.049,509 1.107,510 1.096,511 0.787,512 1.06,513 1.091,514 1.087,515 0.75,516 0.934,517 1.467,518 0.914,519 1.271,520 0.959,521 1.853,522 0.939,523 0.919,524 1.193,525 1.469,526 1.387,527 0.612,528 1.122,529 1.312,530 1.031,531 1.009,532 0.999,533 1.202,534 1.045,535 1.1,536 1.02,537 1.039,538 1.069,539 1.187,540 1.089,541 7.5,542 0.164,543 4,544 2.382,545 1.974,546 1.199,547 0.73,548 0.457,549 0.446,550 0.318,551 10742,552 25499,553 2.141,554 44.2,555 6,556 9,558 1,560 7,564 1.722,565 1.989,566 3.4,567 -0.785,569 1,573 81.584,574 1.569,575 3.65,576 4.78,577 5.08,578 5.118,579 5.118,580 2.902,581 4.513,582 4.829,583 3.539,584 1436.72,585 8.424,586 18743.7,588 1,590 1,591 296.423,592 1.599,593 4.779,594 0.227,595 0.009,596 0.08,597 0.048,598 0.043,599 0.03,600 0.019,601 0.012,602 0.013,603 0.012,604 0.492,605 0.33,606 0.88,607 0.562,608 145.397,609 0.006,610 -0.137,611 0.083,612 -0.009,613 -0.034,614 0.016,615 0.044,616 0.042,617 0.212,618 0.125,619 0.06,620 0.176,621 -0.081,622 -0.091,623 -0.083,624 -0.094,625 -0.13,626 -0.166,627 0.079,628 -0.072,629 0.075,630 0.003,631 0.13,632 0.087,633 -0.142,634 0.179,635 -0.104,636 0.083,637 -0.268,638 -0.004,639 -0.035,640 -0.112,641 -0.225,642 -0.227,643 0.023,644 -0.134,645 -0.101,646 -0.011,647 -0.126,648 -0.074,649 -0.059,650 -0.121,651 0.062,652 -0.072,653 -0.081,654 -0.101,655 0.019,656 -0.115,657 1.451,658 5.63,659 0.862,660 25.46,661 0.998,662 1.115,663 3.444,664 11.862,665 0.696,666 3.526,667 3.932,668 4.22,669 4.554,670 4.836,671 5.004,672 5.165,673 5.357,674 5.521,675 5.624,676 6.306,677 0.653,678 405.56,679 3.526,680 5.118,681 5.994,682 6.915,683 7.808,684 8.731,685 9.631,686 10.556,687 11.461,688 12.386,689 5.8,697 1,699 2,704 6,705 2,708 1,709 8,711 17,716 1,726 1,729 1,731 52,733 18,734 1,735 33,737 56,738 23,739 14,740 3,741 3,742 1,746 5,747 7,752 3,753 1,754 1,755 2,758 2,761 15,762 8,766 1,771 1,775 1,778 1,781 23,782 5,784 6,785 1,790 3,794 0.6,795 2,805 1,811 1,812 4,815 1,816 1,840 3,842 1,844 3,848 29,854 4,856 1,859 1,860 1,863 1,870 3.8,873 1,875 1,877 14.583,878 10.6,879 6,880 3.222,881 3.201,882 1.383,883 1.004,884 4.469,885 11.565,886 3.773,887 4.41,888 4.986,889 5.594,890 6.108,891 6.456,892 6.86,893 7.268,894 7.671,895 8.018,896 1,897 50,898 10.775,900 4.728,901 7.589,902 21.009,904 18.149,905 2.089,906 60.583,908 1,909 1,910 270.735,911 152.827,912 36.695,914 36.145,916 31.278,917 121.549,918 306.88,919 36.695,920 26.476,921 11.767,922 47.381,923 75.621,924 43.557,925 1.358,926 290.242,928 270.735,929 158.244,930 36.145,931 31.278,933 270.735,934 36.145,937 56.429,938 68.244,939 33.571,940 31.278,941 270.735,942 72.84,943 152.827,946 270.735,947 69.922,948 86.029,950 69.716,951 270.735,952 72.84,953 152.827,955 0.604,956 0.346,957 0.19,958 0.108,959 28,960 12,961 0.036,962 2,963 2,964 1.16,965 3.977,966 277.354,967 0.16,968 25,969 138.881,970 1,974 18.749,975 6.913,976 3.461,978 72.84,979 12.208,980 9.307,983 1.515,984 7.642,987 496.402,988 42.5,993 12.63,997 0.216,999 51.872,1000 57.986,1001 0.275,1002 0.64,1003 0.838,1004 0.891,1005 0.898,1006 0.898,1007 5.064,1008 1.556,1009 6.038,1010 5.847,1011 4.615,1012 5.097,1013 1.903,1014 6.925,1015 4.525,1016 6.303,1017 1.431,1018 7.646,1019 4.437,1020 4.443,1021 5.017,1022 0.325,1023 8.072,1024 4.346,1025 7.643,1026 1.292,1027 9.356,1028 4.033,1029 6.33,1030 7.293,1031 2.065,1032 11.119,1033 6.171,1034 9.011,1035 1,1036 11.123,1037 3.212,1038 6.919,1039 7.967,1040 0.268,1041 13.027,1042 6.751,1043 10.408,1044 0.849,1045 12.925,1046 2.391,1047 8.341,1048 9.762,1049 2.377,1050 15.645,1051 8.128,1052 11.823,1053 0.713,1054 14.752,1055 2.275,1056 9.257,1057 10.788,1058 0.188,1059 17.848,1060 9.03,1061 13.254,1062 -0.062,1063 16.595,1064 1.856,1065 10.512,1066 12.38,1067 2.77,1068 20.328,1069 10.253,1070 3.349,1071 -0.242,1072 18.451,1073 -0.148,1074 11.572,1075 13.585,1076 0.125,1077 22.652,1078 11.297,1079 3.155,1080 11.552,1081 20.316,1082 -0.711,1083 12.769,1084 15.081,1085 3.207,1086 25.088,1087 12.47,1088 2.869,1089 10.943,1090 22.189,1091 4.177,1092 13.893,1093 16.381,1094 0.082,1095 27.465,1096 13.579,1097 2.723,1098 9.579,1099 24.068,1100 4.032,1101 15.072,1102 17.832,1103 3.668,1104 29.888,1105 14.74,1106 2.345,1107 8.953,1108 25.951,1109 3.64,1110 16.226,1111 19.183,1112 0.054,1113 32.289,1114 15.88,1115 2.228,1116 7.466,1117 27.839,1118 3.209,1119 17.404,1120 20.613,1121 4.142,1122 34.711,1123 17.042,1124 1.93,1125 6.08,1126 29.73,1127 3.027,1128 18.573,1129 21.991,1130 0.035,1131 37.125,1132 18.198,1133 9992,1134 15564,1135 22.076,1136 36.188,1137 51.788,1138 52.583,1139 52.292,1140 50.742,1141 50.882,1142 64.694,1143 5.875,1144 157.249,1145 48.444,1146 5.517,1147 5.735,1148 6.409,1149 5.47,1150 5.349,1151 7.177,1152 2.555,1153 18.895,1154 5.302,1155 14.201,1156 1.569,1157 1.593,1158 1.585,1159 1.538,1160 1.542,1161 1.96,1162 0.178,1163 4.765,1164 1.468,1165 4.066,1166 4.091,1167 4.279,1168 4.004,1169 7.427,1170 3.986,1171 3.954,1172 3.979,1173 3.956,1174 3.901,1175 4.95,1176 3.883,1177 3.801,1178 3.841,1179 3.737,1180 3.681,1181 4.823,1182 3.689,1183 3.566,1184 3.61,1185 3.607,1186 3.508,1187 4.709,1188 3.459,1189 3.419,1190 3.473,1191 3.309,1192 3.266,1193 4.281,1194 3.258,1195 3.183,1196 3.221,1197 3.095,1198 3.008,1199 4.216,1200 2.995,1201 3.136,1202 3.209,1203 2.961,1204 2.955,1205 3.829,1206 2.97,1207 2.928,1208 3.009,1209 2.806,1210 2.762,1211 3.802,1212 2.755,1213 0.138,1214 0.113,1215 0.209,1216 0.131,1217 0.101,1218 4.567,1219 0.127,1220 3.735,1221 0.039,1222 6.881,1223 0.35,1224 4.329,1225 0.1,1226 3.349,1227 4.177,1228 1.277,1229 11.552,1230 3.302,1231 1.98,1232 1.959,1233 2.064,1234 2.08,1235 1.375,1236 2.076,1237 1.883,1238 1.852,1239 2.047,1240 2.002,1241 1.219,1242 2.02,1243 1.77,1244 1.734,1245 1.9,1246 1.924,1247 1.048,1248 1.92,1249 1.474,1250 1.427,1251 1.696,1252 1.644,1253 0.883,1254 1.666,1255 1.336,1256 1.309,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.191,1262 1.142,1263 1.491,1264 1.396,1265 0.587,1266 1.416,1267 1.165,1268 1.093,1269 1.417,1270 1.366,1271 0.576,1272 1.39,1273 0.97,1274 0.927,1275 1.36,1276 1.239,1277 0.469,1278 1.308,1279 4.205,1281 5.587,1282 2.398,1283 7.159,1284 4.727,1285 8.817,1286 6.862,1287 10.521,1289 6.261,1295 2.747,1297 5.894,1300 2.188,1301 -0.024,1305 33.949,1306 81.584,1307 189.817,1308 248.549,1309 264.158,1310 266.158,1311 266.158,1312 45.44,1313 8.365,1314 55.32,1315 83.56,1316 29,1317 12.895,1318 4.248,1319 3.392,1320 39.523,1321 108,1322 124,1323 0.178,1324 207.587,1325 357.29,1326 498.272,1327 52560,1329 20.173,1330 0.696,1331 0.609,1332 20.527,1333 17.675,1334 13.894,1335 0.421,1336 0.325,1337 9.867,1338 13.06,1339 9.411,1340 7.797,1341 14.302,1342 10.716,1343 13.817,1344 0.276,1345 0.191,1346 14.433,1347 9.562,1348 11.29,1349 0.169,1350 0.1,1351 12.18,1352 6.684,1353 10.085,1354 0.107,1355 0.054,1356 10.992,1357 5.117,1358 8.29,1359 0.066,1360 0.031,1361 9.26,1362 3.904,1363 0.275,1364 90.331,1365 0.213,1366 27.12,1367 0.502,1368 166,1369 433.267,1370 204.96,1371 441.786,1372 617.86,1373 416,1374 200,1375 451.637,1376 238.973,1377 475.79,1378 705.22,1379 447,1380 6.785}
{0 CHEMBL512987,1 1.516,2 12.41,3 0.89,4 0.792,5 138.649,6 7.374,8 4.4,9 4.492,10 3.926,11 3.868,12 5.552,13 3.867,14 4.998,15 5.151,16 4.364,17 4.327,18 6.157,19 4.306,20 5.326,21 5.482,22 4.584,23 4.598,24 6.464,25 4.565,26 5.541,27 5.714,28 4.715,29 4.727,30 6.666,31 4.69,32 5.672,33 5.853,34 4.809,35 4.755,36 6.899,37 4.73,38 5.683,39 5.86,40 4.772,41 4.749,42 6.978,43 4.717,44 5.694,45 5.891,46 4.632,47 4.706,48 6.977,49 4.636,50 5.636,51 5.875,52 4.346,53 4.537,54 6.779,55 4.434,56 0.208,57 0.975,58 15.743,59 7.647,60 33.841,61 9.194,62 0.792,63 1.632,64 31.923,65 12.941,66 107.633,67 16.536,68 1.048,69 2.196,70 44.992,71 17.596,72 153.926,73 22.444,74 1.209,75 2.609,76 57.157,77 20.949,78 194.626,79 27.277,80 2.099,81 2.777,82 68.381,83 22.053,84 267.729,85 29.077,86 2.327,87 2.782,88 69.576,89 21.892,90 312.752,91 28.693,92 2.274,93 2.752,94 71.249,95 22.253,96 330.577,97 30.054,98 2.172,99 2.448,100 70.872,101 20.055,102 306.669,103 28.279,104 145,105 64,106 0.236,107 0.566,108 0.817,109 0.887,110 0.891,111 0.895,112 3.694,113 0.937,114 -1.85,115 -1.91,116 -1.92,119 37.8,120 3,121 6,122 1,123 2,124 1,125 2,127 2,136 4,138 2,154 1,156 1,158 3,167 1,170 1,172 13,173 1,174 2,175 12,178 1,180 3,183 16,184 1,186 1,187 15,191 1,192 7,195 15,196 1,198 2,199 15,204 8,207 12,211 3,212 15,213 1,215 4,217 6,220 13,223 2,224 13,227 7,229 3,232 13,236 5,237 17,240 3,242 2,245 9,246 1,249 2,250 11,253 1,255 4,258 4,259 1,262 3,263 9,264 2,268 3,271 5,272 1,275 3090,276 25.271,277 25.271,278 25.271,279 25.271,280 25.271,281 23.685,282 34.468,283 14.56,284 25.726,285 20.614,286 20.614,287 20.614,288 20.614,289 20.614,290 17.956,291 41.808,292 6.76,293 21.243,294 4.694,295 2.582,296 0.97,297 0.527,298 0.5,299 0.473,300 4.376,306 1015,307 5.148,310 70.339,311 215.164,314 117.481,315 238.37,318 1.908,319 85.233,322 0.5,323 0.5,324 0.5,325 0.8,326 1,327 0.5,328 0.5,329 0.61,330 88.5,331 484,332 5.028,333 4.238,334 8.266,335 4.84,336 3.849,337 4.437,338 2.455,339 16.382,340 3.816,341 4.656,342 4.07,343 7.865,344 4.578,345 3.575,346 3.845,347 2.341,348 14.589,349 3.583,350 4.171,351 3.68,352 6.693,353 3.813,354 2.825,355 3.49,356 2.178,357 10.462,358 2.787,359 4.069,360 3.596,361 6.584,362 3.749,363 2.787,364 3.292,365 1.674,366 9.98,367 2.68,368 3.67,369 3.586,370 5.927,371 3.414,372 2.458,373 2.806,374 1.148,375 7.958,376 2.33,377 3.55,378 3.171,379 5.756,380 3.24,381 2.235,382 2.71,383 0.86,384 7.29,385 2.221,386 3.521,387 2.993,388 5.36,389 3.185,390 2.214,391 2.672,392 0.6,393 5.947,394 2.13,395 3.28,396 2.66,397 5.091,398 2.982,399 2.02,400 2.346,401 0.525,402 5.184,403 1.931,404 3.049,405 2.523,406 4.659,407 2.777,408 1.803,409 2.058,411 4.939,412 1.733,413 2.951,414 2.282,415 4.624,416 2.676,417 1.711,418 1.938,420 4.606,421 1.676,422 2.927,423 2.231,424 4.282,425 2.656,426 1.617,427 1.915,428 3.601,429 1.635,430 2.511,431 1.849,432 4.154,433 2.282,434 1.336,435 1.464,436 3.487,437 1.25,438 2.378,439 1.672,440 3.921,441 2.189,442 1.215,443 1.322,445 2.881,446 1.174,447 2.22,448 1.551,449 3.812,450 1.904,451 0.994,452 1.112,454 2.08,455 0.893,456 1.853,457 1.316,458 3.629,459 1.607,460 0.663,461 0.73,463 1.506,464 0.615,465 17.733,466 0.455,467 1.386,468 0.036,469 36.75,470 0.942,471 12,472 0.308,473 24.75,474 0.635,475 54.831,476 1.406,477 45.867,478 0.62,479 38.314,480 0.982,481 6.982,482 0.179,483 11.39,484 0.292,485 0.244,486 0.056,487 0.367,493 0.797,494 1.299,495 0.804,496 1.234,497 0.704,498 1.056,499 0.696,500 0.999,501 0.748,502 0.975,503 0.487,504 0.888,505 0.885,506 1.112,507 0.93,508 1.095,509 0.826,510 1.036,511 0.951,512 1.189,513 0.959,514 1.176,515 0.933,516 1.088,517 1.043,518 1.08,519 0.961,520 1.045,521 0.902,522 0.991,523 1.13,524 1.045,525 1.085,526 1.042,527 1.053,528 1.049,529 1.036,530 1.111,531 1.135,532 1.135,533 1.031,534 1.159,535 1.127,536 0.937,537 1.11,538 0.932,539 1.104,540 1.003,541 10,542 0.255,543 6.444,544 5.104,545 4.986,546 3.254,547 2.229,548 1.191,549 0.729,550 0.427,551 18733,552 60715,553 1.951,554 47.3,555 11,556 9,558 1,559 3,560 7,561 4,564 1.803,565 1.746,566 3.421,567 0.799,573 112.149,574 1.516,575 3.627,576 5.24,577 5.682,578 5.709,579 5.736,580 3.055,581 4.773,582 5.24,583 3.687,584 2731.95,585 9.306,586 42322.7,591 459.5,592 1.791,593 5.156,594 0.238,595 0.008,596 0.101,597 0.065,598 0.058,599 0.036,600 0.026,601 0.017,602 0.014,603 0.01,604 0.572,605 0.33,606 0.75,607 1.897,608 211.441,609 -0.078,610 -0.025,611 0.018,612 0.011,613 -0.062,614 0.036,615 0.081,616 0.156,617 0.139,618 0.157,619 0.119,620 0.166,621 -0.046,622 0.013,623 -0.027,624 0.019,625 -0.047,626 0.005,627 -0.077,628 -0.106,629 -0.032,630 -0.104,631 -0.092,632 -0.064,633 0.009,634 -0.058,635 0.022,636 -0.036,637 -0.014,638 -0.009,639 -0.024,640 -0.019,641 -0.092,642 -0.046,643 -0.031,644 -0.083,645 -0.005,646 -0.117,647 -0.146,648 -0.151,649 -0.002,650 -0.183,651 -0.101,652 -0.023,653 -0.088,654 -0.007,655 -0.091,656 -0.038,657 2.577,658 6.168,659 0.436,660 47.491,661 1.019,662 1.13,663 0.622,664 0.386,665 0.628,666 3.761,667 4.174,668 4.533,669 4.92,670 5.278,671 5.549,672 5.775,673 5.976,674 6.111,675 6.178,676 7.034,677 0.61,678 545.64,679 3.761,680 5.361,681 6.263,682 7.217,683 8.164,684 9.137,685 10.104,686 11.087,687 12.064,688 13.051,689 1.4,698 1,731 74,733 8,735 42,737 77,738 28,742 8,746 4,747 10,752 3,753 2,754 2,755 5,756 1,758 8,761 11,762 17,763 1,766 8,771 4,773 1,774 1,775 10,781 35,782 11,783 3,784 11,790 1,794 0.25,795 10,811 1,812 3,815 1,816 2,823 1,824 1,828 1,829 2,831 2,832 4,838 3,839 1,840 1,844 4,848 39,853 3,854 8,856 3,858 3,860 2,870 13.5,872 3,873 4,874 1,875 2,877 22.333,878 14.3,879 8.514,880 4.532,881 1.658,882 1.19,883 0.87,884 8.346,885 10.395,886 3.932,887 4.466,888 4.963,889 5.493,890 6.038,891 6.457,892 6.838,893 7.196,894 7.491,895 7.66,896 1,897 78,898 14.854,900 6.886,901 8.184,902 27.118,904 23.281,905 2.684,906 104.667,910 376.675,911 101.48,912 16.786,914 261.629,917 101.48,918 638.305,919 16.786,920 37.359,921 21.905,923 280.874,924 51.528,926 364.904,928 376.675,929 118.265,930 261.629,933 329.591,934 297.714,935 11,937 65.166,938 44.051,939 9.047,941 376.675,942 278.415,943 101.48,946 376.675,947 55.074,948 46.406,950 278.415,951 376.675,952 278.415,953 101.48,955 0.593,956 0.352,957 0.202,958 0.124,959 31,960 17,961 0.13,962 10,963 3,964 1.353,965 4.278,966 427.748,967 0.353,968 17,969 206.131,974 29.349,975 11.09,976 4.929,978 278.415,986 128.05,987 756.57,988 50,993 49.163,995 1.266,996 4.271,997 -2.428,999 75.396,1000 83.651,1001 0.244,1002 0.584,1003 0.844,1004 0.915,1005 0.919,1006 0.924,1007 5.273,1008 2.02,1009 6.34,1010 5.947,1011 4.86,1012 5.153,1013 3.634,1014 7.349,1015 4.812,1016 6.515,1017 1.803,1018 8.035,1019 5.184,1020 4.844,1021 5.231,1022 3.199,1023 8.882,1024 4.81,1025 7.887,1026 1.711,1027 9.855,1028 4.939,1029 6.681,1030 7.268,1031 4.892,1032 12.095,1033 6.616,1034 9.297,1035 1.617,1036 11.753,1037 4.606,1038 7.485,1039 8.129,1040 5.153,1041 14.462,1042 7.437,1043 10.746,1044 1.336,1045 13.703,1046 3.601,1047 8.917,1048 9.756,1049 6.399,1050 17.329,1051 8.854,1052 12.224,1053 1.215,1054 15.689,1055 3.487,1056 10.048,1057 10.948,1058 6.963,1059 19.968,1060 9.994,1061 13.724,1062 0.994,1063 17.7,1064 2.881,1065 11.379,1066 12.451,1067 8.015,1068 22.755,1069 11.318,1070 3.849,1071 0.663,1072 19.732,1073 2.08,1074 12.631,1075 13.79,1076 8.728,1077 25.482,1078 12.572,1079 3.575,1080 16.382,1081 21.777,1082 1.506,1083 13.945,1084 15.259,1085 9.689,1086 28.254,1087 13.881,1088 2.825,1089 14.589,1090 23.834,1091 4.437,1092 15.241,1093 16.666,1094 10.478,1095 31.011,1096 15.175,1097 2.787,1098 10.462,1099 25.899,1100 3.845,1101 16.558,1102 18.129,1103 11.394,1104 33.784,1105 16.486,1106 2.458,1107 9.98,1108 27.97,1109 3.49,1110 17.872,1111 19.57,1112 12.224,1113 36.554,1114 17.796,1115 2.235,1116 7.958,1117 30.048,1118 3.292,1119 19.194,1120 21.036,1121 13.119,1122 39.329,1123 19.111,1124 2.214,1125 7.29,1126 32.129,1127 2.806,1128 20.517,1129 22.495,1130 13.971,1131 42.106,1132 20.428,1133 18784,1134 33841,1135 26.065,1136 46.494,1137 65.836,1138 68.093,1139 70.58,1140 64.211,1141 64.222,1142 74.096,1143 23.563,1144 205.568,1145 62.414,1146 6.018,1147 6.171,1148 8.09,1149 5.932,1150 5.849,1151 7.286,1152 4.234,1153 25.384,1154 5.816,1155 27.623,1156 1.568,1157 1.621,1158 1.68,1159 1.529,1160 1.529,1161 1.764,1162 0.561,1163 4.894,1164 1.486,1165 4.128,1166 4.142,1167 4.084,1168 4.054,1169 7.474,1170 4.058,1171 3.883,1172 3.904,1173 3.821,1174 3.774,1175 7.436,1176 3.781,1177 3.739,1178 3.79,1179 3.615,1180 3.587,1181 7.431,1182 3.582,1183 3.583,1184 3.6,1185 3.508,1186 3.379,1187 7.425,1188 3.4,1189 3.517,1190 3.552,1191 3.437,1192 3.304,1193 6.533,1194 3.326,1195 3.493,1196 3.514,1197 3.408,1198 3.28,1199 6.392,1200 3.306,1201 3.345,1202 3.389,1203 3.241,1204 3.151,1205 6.351,1206 3.154,1207 3.309,1208 3.345,1209 3.161,1210 3.095,1211 4.746,1212 3.104,1213 0.12,1214 0.101,1215 0.197,1216 0.115,1217 0.092,1218 5.028,1219 0.106,1220 4.238,1221 0.058,1222 8.266,1223 0.39,1224 4.84,1225 0.091,1226 3.849,1227 4.437,1228 2.455,1229 16.382,1230 3.816,1231 2.034,1232 2.024,1233 2.116,1234 2.126,1235 1.517,1236 2.12,1237 1.771,1238 1.743,1239 1.966,1240 1.93,1241 1.285,1242 1.94,1243 1.708,1244 1.658,1245 1.899,1246 1.883,1247 1.245,1248 1.888,1249 1.573,1250 1.531,1251 1.804,1252 1.753,1253 1.119,1254 1.768,1255 1.454,1256 1.418,1257 1.695,1258 1.705,1259 0.834,1260 1.692,1261 1.425,1262 1.388,1263 1.668,1264 1.689,1265 0.792,1266 1.68,1267 1.364,1268 1.325,1269 1.619,1270 1.618,1271 0.737,1272 1.614,1273 1.236,1274 1.196,1275 1.506,1276 1.485,1277 0.667,1278 1.486,1279 4.443,1281 5.832,1282 2.398,1283 7.434,1284 4.844,1285 9.164,1286 7.034,1287 10.976,1289 6.238,1294 31.721,1295 1.976,1297 16.96,1299 -2.307,1301 -2.194,1305 45.125,1306 112.149,1307 268.41,1308 387.725,1309 420.48,1310 422.48,1311 424.48,1312 170.078,1313 8.737,1314 169.02,1315 169.02,1316 23,1317 13.52,1318 3.17,1319 3.17,1320 69.887,1321 154,1322 244,1323 0.221,1324 273.12,1325 521.3,1326 658.173,1327 73567,1329 28.698,1330 0.736,1331 0.58,1332 28.698,1333 22.613,1334 18.372,1335 0.437,1336 0.312,1337 12.889,1338 17.407,1339 12.501,1340 10.239,1341 18.372,1342 13.117,1343 17.645,1344 0.276,1345 0.172,1346 17.645,1347 10.985,1348 14.62,1349 0.159,1350 0.093,1351 14.62,1352 8.588,1353 12.768,1354 0.094,1355 0.05,1356 12.768,1357 6.734,1358 11.062,1359 0.057,1360 0.025,1361 11.062,1362 4.934,1363 0.334,1364 117.613,1365 0.196,1366 34.098,1367 0.649,1368 212,1369 726.243,1370 239.405,1371 666.76,1372 868.12,1373 616,1374 262,1375 597.851,1376 287.307,1377 595.662,1378 884.66,1379 557,1380 5}
{0 CHEMBL513909,1 1.525,2 14.237,3 3.655,4 13.36,5 148.213,6 6.776,7 0.286,8 4.432,9 4.57,10 3.921,11 3.892,12 5.424,13 3.869,14 5.038,15 5.248,16 4.303,17 4.321,18 5.967,19 4.272,20 5.327,21 5.562,22 4.434,23 4.515,24 6.261,25 4.439,26 5.431,27 5.678,28 4.445,29 4.554,30 6.405,31 4.474,32 5.442,33 5.683,34 4.457,35 4.572,36 6.485,37 4.487,38 5.406,39 5.644,40 4.35,41 4.546,42 6.381,43 4.44,44 5.411,45 5.686,46 4.183,47 4.452,48 6.3,49 4.321,50 5.263,51 5.539,52 4.107,53 4.326,54 6.139,55 4.205,56 0.032,57 1.179,58 18.11,59 6.578,60 11.145,61 9.87,62 0.476,63 1.902,64 35.32,65 11.066,66 36.537,67 17.074,68 0.556,69 2.349,70 47.751,71 14.58,72 54.5,73 22.827,74 0.654,75 2.456,76 53.861,77 15.746,78 79.905,79 24.541,80 1.011,81 2.478,82 54.847,83 15.761,84 111.883,85 24.678,86 0.642,87 2.419,88 52.039,89 15.848,90 80.741,91 24.641,92 0.768,93 2.258,94 53.425,95 14.967,96 86.391,97 24.141,98 0.738,99 1.93,100 46.069,101 13.81,102 76.125,103 21.436,104 41,105 60,106 0.235,107 0.541,108 0.765,109 0.845,110 0.845,111 0.845,112 3.668,113 0.983,114 -4.05,115 -4,116 -3.79,119 36.4,120 1,121 7,124 3,125 2,127 3,142 3,143 1,144 3,145 1,147 1,150 1,158 2,172 7,174 3,175 7,178 3,180 4,183 6,186 4,187 9,190 1,192 4,195 1,198 1,199 11,202 2,204 2,207 4,211 5,212 11,215 2,220 8,223 1,224 11,227 1,228 1,229 3,232 4,236 1,237 10,240 1,242 3,249 3,250 4,253 2,255 2,258 3,262 1,263 5,271 9,275 2746,276 25.825,277 25.825,278 25.825,279 25.825,280 25.825,281 24.229,282 41.796,283 14.896,284 26.489,285 20.56,286 20.56,287 20.56,288 20.56,289 20.56,290 17.857,291 69.22,292 6.879,293 21.543,294 4.742,295 2.765,296 1.313,297 0.792,298 0.792,299 0.792,300 4.37,305 1,306 1181,307 3.674,310 95.957,311 491.975,315 184.801,318 2.488,319 39.385,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 82.5,331 541,332 4.556,333 3.94,334 7.095,335 4.309,336 3.364,337 4.074,338 1.989,339 12.265,340 3.179,341 4.337,342 3.579,343 6.265,344 3.962,345 2.987,346 3.964,347 1.058,348 9.475,349 2.92,350 3.977,351 3.207,352 6.218,353 3.685,354 2.725,355 3.31,356 0.86,357 9.008,358 2.606,359 3.85,360 3.103,361 6.021,362 3.621,363 2.668,364 3.169,365 0.835,366 8.455,367 2.543,368 3.738,369 2.837,370 5.936,371 3.525,372 2.565,373 2.805,374 0.8,375 8.238,376 2.462,377 3.571,378 2.803,379 5.392,380 3.425,381 2.453,382 2.7,383 0.543,384 7.057,385 2.377,386 3.437,387 2.464,388 5.302,389 3.107,390 2.167,391 2.588,392 0.4,393 6.625,394 2.026,395 3.096,396 2.306,397 5.09,398 2.976,399 2.038,400 2.138,402 5.761,403 1.904,404 3.081,405 2.176,406 4.893,407 2.92,408 1.97,409 2.13,411 5.676,412 1.857,413 2.887,414 1.938,415 4.347,416 2.467,417 1.527,418 2.022,420 4.065,421 1.429,422 2.714,423 1.808,424 4.146,425 2.279,426 1.272,427 1.692,428 3.349,429 1.27,430 2.586,431 1.647,432 4.044,433 2.175,434 1.206,435 1.593,436 3.124,437 1.164,438 2.177,439 1.243,440 3.827,441 2.095,442 1.128,443 1.169,445 2.618,446 1.087,447 2,448 1.14,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 1.992,457 1.077,458 3.31,459 1.651,460 0.66,461 0.786,463 1.372,464 0.647,465 17.8,466 0.468,467 0.955,468 0.025,469 43.25,470 1.138,471 17,472 0.447,473 26.25,474 0.691,475 42.518,476 1.119,477 43.4,478 0.564,479 36.805,480 0.969,481 7.813,482 0.206,483 10.576,484 0.278,485 0.15,487 0.376,493 0.804,494 1.678,495 0.864,496 1.322,497 0.564,498 1.127,499 0.885,500 1.115,501 0.894,502 0.975,503 0.54,504 0.934,505 0.906,506 1.162,507 0.936,508 1.064,509 0.799,510 1.005,511 1.21,512 1.052,513 0.98,514 0.975,515 1.298,516 0.945,517 1.148,518 0.986,519 1.035,520 0.937,521 1.399,522 0.962,523 1.105,524 1.185,525 1.132,526 1.161,527 1.257,528 1.151,529 1.139,530 0.977,531 1.084,532 0.956,533 1.098,534 0.997,535 0.988,536 0.805,537 0.93,538 0.848,539 0.799,540 0.875,541 7.5,542 0.307,543 4.667,544 2.903,545 3.186,546 1.576,547 1.003,548 0.777,549 0.502,550 0.385,551 23285,552 50645,553 2.081,554 50.6,555 7,556 19,558 1,559 2,561 6,562 4,564 1.787,565 1.932,566 3.72,567 0.175,573 117.4,574 1.525,575 3.502,576 4.954,577 5.474,578 5.474,579 5.474,580 3.242,581 4.86,582 5.218,583 3.97,584 2790.61,585 9.189,586 46312.4,591 482.543,592 1.462,593 5.171,594 0.179,595 0.007,596 0.078,597 0.044,598 0.048,599 0.024,600 0.017,601 0.016,602 0.011,603 0.008,604 0.433,605 0.33,606 0.63,607 0.782,608 211.289,609 -0.021,610 -0.336,611 0.075,612 -0.128,613 0.001,614 -0.029,615 0.08,616 0.069,617 0.09,618 0.07,619 0.091,620 0.076,621 0.049,622 -0.064,623 0.047,624 -0.046,625 0.06,626 -0.006,627 -0.082,628 -0.016,629 0.025,630 0.01,631 -0.051,632 0.032,633 0.052,634 0.061,635 -0.02,636 0.043,637 -0.001,638 0.008,639 -0.073,640 -0.125,641 -0.144,642 -0.149,643 -0.099,644 -0.157,645 -0.1,646 0.002,647 -0.084,648 -0.009,649 -0.105,650 -0.036,651 0.041,652 0.15,653 0.066,654 0.117,655 0.027,656 0.099,657 1.764,658 6.135,659 0.711,660 45.526,661 0.998,662 1.14,663 2.823,664 7.97,665 0.631,666 3.761,667 4.111,668 4.431,669 4.718,670 4.984,671 5.106,672 5.242,673 5.366,674 5.481,675 5.568,676 8.367,677 0.594,678 521.74,679 3.761,680 5.323,681 6.196,682 7.093,683 7.985,684 8.888,685 9.788,686 10.694,687 11.599,688 12.508,689 9.1,692 1,695 1,696 2,697 1,699 2,704 4,705 2,709 6,711 12,718 1,724 1,726 1,729 1,731 77,733 14,734 1,735 42,737 81,738 28,739 10,740 3,741 3,742 1,746 5,747 6,752 1,755 9,758 10,761 12,762 16,766 2,771 2,775 2,781 39,782 10,783 2,784 10,790 7,794 0.8,795 3,806 1,811 1,812 4,816 1,827 1,836 1,840 4,844 4,848 38,854 9,855 2,856 1,858 3,859 3,870 3.9,873 2,875 1,877 19.667,878 14.833,879 8.417,880 5.044,881 2.423,882 1.283,883 0.96,884 8.292,885 10.981,886 3.932,887 4.454,888 4.98,889 5.488,890 6.014,891 6.284,892 6.639,893 6.973,894 7.322,895 7.645,896 1,897 66,898 14.194,900 6.108,901 7.64,902 27.632,904 23.323,905 2.14,906 81.333,910 435.531,911 123.509,912 78.966,914 61.29,917 123.509,918 496.821,919 78.966,920 36.501,921 43.088,922 28.429,923 105.041,924 58.249,925 4.227,926 423.76,928 435.531,929 202.475,930 61.29,933 317.82,934 179.001,937 83.995,938 84.909,939 33.571,941 435.531,942 140.255,943 123.509,946 435.531,947 49.532,948 83.35,949 36.022,950 94.861,951 435.531,952 140.255,953 123.509,955 0.584,956 0.359,957 0.198,958 0.11,959 29,960 14,961 0.086,962 7,963 1,964 1.074,965 4.677,966 384.045,967 0.074,968 27,969 191.421,974 27.013,975 11.665,976 5.602,978 140.255,979 7.073,980 9.424,984 3.695,986 36.022,987 699.295,988 50,993 26.043,997 -0.007,999 76.832,1000 87.76,1001 0.243,1002 0.559,1003 0.791,1004 0.874,1005 0.874,1006 0.874,1007 5.215,1008 2.038,1009 6.196,1010 6.625,1011 4.796,1012 5.142,1013 2.653,1014 7.048,1015 4.707,1016 6.389,1017 1.97,1018 7.784,1019 5.761,1020 4.443,1021 4.956,1022 1.803,1023 8.03,1024 4.306,1025 7.692,1026 1.527,1027 9.47,1028 5.676,1029 6.431,1030 7.203,1031 3.28,1032 11.165,1033 6.252,1034 9.025,1035 1.272,1036 11.215,1037 4.065,1038 6.899,1039 7.827,1040 3.237,1041 12.979,1042 6.672,1043 10.392,1044 1.206,1045 12.998,1046 3.349,1047 8.353,1048 9.586,1049 4.354,1050 15.661,1051 8.083,1052 11.78,1053 1.128,1054 14.808,1055 3.124,1056 9.192,1057 10.576,1058 4.691,1059 17.843,1060 8.872,1061 13.187,1062 1,1063 16.638,1064 2.618,1065 10.452,1066 12.145,1067 5.607,1068 20.386,1069 10.085,1070 3.364,1071 0.66,1072 18.484,1073 2.275,1074 11.468,1075 13.319,1076 6.118,1077 22.741,1078 11.049,1079 2.987,1080 12.265,1081 20.344,1082 1.372,1083 12.661,1084 14.802,1085 6.929,1086 25.245,1087 12.192,1088 2.725,1089 9.475,1090 22.215,1091 4.074,1092 13.764,1093 16.073,1094 7.524,1095 27.68,1096 13.239,1097 2.668,1098 9.008,1099 24.096,1100 3.964,1101 14.941,1102 17.512,1103 8.278,1104 30.176,1105 14.362,1106 2.565,1107 8.455,1108 25.986,1109 3.31,1110 16.087,1111 18.837,1112 8.915,1113 32.648,1114 15.45,1115 2.453,1116 8.238,1117 27.884,1118 3.169,1119 17.265,1120 20.254,1121 9.639,1122 35.146,1123 16.572,1124 2.167,1125 7.057,1126 29.789,1127 2.805,1128 18.435,1129 21.608,1130 10.3,1131 37.636,1132 17.682,1133 21931,1134 32586,1135 27.857,1136 48.586,1137 63.096,1138 64.991,1139 66.159,1140 62.827,1141 62.777,1142 73.874,1143 12.968,1144 185.722,1145 60.058,1146 5.556,1147 5.94,1148 6.69,1149 5.394,1150 5.364,1151 7.074,1152 3.465,1153 20.265,1154 5.179,1155 20.817,1156 1.502,1157 1.547,1158 1.575,1159 1.496,1160 1.495,1161 1.759,1162 0.309,1163 4.422,1164 1.43,1165 4.048,1166 4.097,1167 4.002,1168 3.903,1169 7.43,1170 3.918,1171 3.938,1172 3.976,1173 3.886,1174 3.82,1175 7.426,1176 3.83,1177 3.845,1178 3.904,1179 3.73,1180 3.689,1181 5.01,1182 3.69,1183 3.784,1184 3.839,1185 3.665,1186 3.649,1187 4.81,1188 3.649,1189 3.596,1190 3.656,1191 3.507,1192 3.429,1193 4.401,1194 3.434,1195 3.42,1196 3.486,1197 3.332,1198 3.17,1199 4.365,1200 3.201,1201 3.337,1202 3.423,1203 3.181,1204 3.075,1205 4.311,1206 3.092,1207 3.241,1208 3.314,1209 3.054,1210 2.978,1211 4.132,1212 2.983,1213 0.108,1214 0.094,1215 0.169,1216 0.103,1217 0.08,1218 4.556,1219 0.097,1220 3.94,1221 0.047,1222 7.095,1223 0.292,1224 4.309,1225 0.076,1226 3.364,1227 4.074,1228 1.989,1229 12.265,1230 3.179,1231 1.925,1232 1.899,1233 2.051,1234 2.096,1235 1.4,1236 2.071,1237 1.871,1238 1.827,1239 2.004,1240 2.047,1241 1.313,1242 2.046,1243 1.815,1244 1.755,1245 1.967,1246 1.976,1247 1.211,1248 1.976,1249 1.579,1250 1.52,1251 1.86,1252 1.774,1253 1.112,1254 1.793,1255 1.577,1256 1.507,1257 1.798,1258 1.751,1259 1.094,1260 1.78,1261 1.516,1262 1.451,1263 1.758,1264 1.701,1265 0.876,1266 1.731,1267 1.331,1268 1.264,1269 1.61,1270 1.622,1271 0.825,1272 1.614,1273 1.276,1274 1.19,1275 1.571,1276 1.568,1277 0.745,1278 1.571,1279 4.443,1281 5.784,1282 2.398,1283 7.326,1284 4.443,1285 8.965,1286 6.293,1287 10.659,1289 7.54,1295 9.06,1296 6.437,1297 5.625,1299 0.261,1300 6.183,1305 45.723,1306 117.4,1307 269.671,1308 381.465,1309 421.523,1310 421.523,1311 421.523,1312 80.143,1313 8.557,1314 102.93,1315 102.93,1316 29,1317 13.025,1318 3.907,1319 3.17,1320 59.237,1321 193,1322 224,1323 0.15,1324 278.519,1325 491.61,1326 671.346,1327 69646,1329 26.811,1330 0.706,1331 0.602,1332 26.811,1333 22.866,1334 18.389,1335 0.438,1336 0.328,1337 13.54,1338 17.558,1339 13.164,1340 10.943,1341 18.389,1342 13.766,1343 16.495,1344 0.275,1345 0.178,1346 16.495,1347 10.66,1348 14.634,1349 0.176,1350 0.099,1351 14.634,1352 8.176,1353 12.164,1354 0.11,1355 0.053,1356 12.164,1357 5.921,1358 9.969,1359 0.069,1360 0.028,1361 9.969,1362 4.01,1363 0.238,1364 116.099,1365 0.189,1366 34.488,1367 0.402,1368 204,1369 554.098,1370 226.655,1371 527.84,1372 728.12,1373 496,1374 245,1375 543.776,1376 269.849,1377 547.986,1378 810.21,1379 514,1380 5}
{0 CHEMBL513924,1 1.559,2 10.179,3 4.182,4 17.488,5 113.057,6 7.464,7 0.469,8 4.077,9 4.19,10 3.704,11 3.674,12 5.056,13 3.62,14 4.677,15 4.847,16 4.153,17 4.128,18 5.587,19 4.057,20 4.953,21 5.147,22 4.2,23 4.302,24 5.853,25 4.18,26 5.116,27 5.377,28 4.142,29 4.306,30 5.968,31 4.136,32 4.904,33 5.127,34 4.032,35 4.135,36 5.86,37 3.997,38 4.756,39 4.952,40 3.961,41 4.086,42 5.61,43 3.96,44 4.806,45 5.013,46 3.987,47 4.086,48 5.724,49 3.977,50 4.9,51 5.136,52 3.81,53 4.076,54 5.809,55 3.918,56 0.026,57 0.782,58 11.844,59 5.343,60 6.807,61 6.843,62 0.217,63 1.373,64 24.941,65 9.298,66 18.775,67 12.222,68 0.315,69 1.736,70 33.528,71 12.707,72 32.016,73 16.52,74 0.366,75 1.955,76 47.779,77 16.388,78 46.651,79 21.022,80 0.576,81 1.642,82 39.124,83 11.964,84 57.354,85 14.653,86 0.223,87 1.426,88 31.256,89 11.29,90 20.302,91 14.043,92 0.304,93 1.457,94 29.789,95 10.535,96 30.767,97 13.703,98 0.449,99 1.475,100 34.278,101 12.448,102 55.604,103 16.051,104 10,105 48,106 0.258,107 0.608,108 0.784,109 0.851,110 0.857,111 0.857,112 3.375,113 1.007,114 -4.08,115 -4.02,116 -3.81,119 41.5,120 2,121 3,123 1,125 3,127 1,142 4,143 2,146 1,151 1,152 2,157 1,162 1,172 10,174 1,175 5,180 3,183 12,186 1,187 5,192 3,195 7,198 1,199 10,204 1,207 5,211 2,212 6,215 1,220 4,224 6,227 1,232 2,237 6,240 1,242 1,245 4,249 1,250 6,258 7,263 4,268 1,271 6,275 1196,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 17.076,282 21.121,283 10.874,284 19.378,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.998,291 26.439,292 5.201,293 16.678,294 4.169,295 2.058,296 1,297 0.595,298 0.557,299 0.557,300 4.085,304 1,305 1,306 639,307 2.915,310 103.328,311 216.754,314 200.097,318 1.548,319 23.766,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 285,332 4.552,333 3.735,334 6.876,335 4.328,336 3.346,337 4.474,338 1.277,339 11.537,340 3.302,341 4.524,342 3.327,343 6.589,344 4.083,345 3.112,346 4.139,347 0.86,348 10.526,349 3.041,350 4.14,351 3.101,352 6.494,353 3.924,354 2.994,355 3.264,356 0.8,357 10.174,358 2.753,359 3.854,360 3.078,361 6.239,362 3.658,363 2.7,364 2.969,366 9.234,367 2.582,368 3.465,369 2.689,370 5.324,371 3.117,372 2.14,373 2.766,375 6.57,376 2.082,377 3.323,378 2.245,379 5.118,380 2.952,381 1.958,382 2.507,384 5.886,385 1.938,386 3.046,387 2.19,388 4.924,389 2.671,390 1.742,391 2.318,393 5.261,394 1.602,395 2.992,396 1.717,397 4.193,398 2.518,399 1.546,400 2.091,402 3.757,403 1.5,404 2.648,405 1.546,406 3.965,407 2.358,408 1.434,409 1.707,411 3.251,412 1.31,413 2.433,414 1.399,415 3.792,416 2.121,417 1.138,418 1.429,420 2.75,421 1.116,422 2.333,423 1.202,424 3.601,425 1.91,426 1.06,427 1.231,428 2.711,429 0.888,430 2.128,431 1.19,432 3.572,433 1.693,434 0.8,435 1.056,436 2.294,437 0.692,438 2.058,439 0.723,440 3.234,441 1.591,442 0.634,443 0.885,445 1.476,446 0.605,447 1.151,448 0.549,449 3.149,450 0.947,451 -0.008,452 -0.009,454 -0.022,455 -0.008,456 1.023,457 0.213,458 2.794,459 0.72,460 -0.261,461 -0.303,463 -0.803,464 -0.249,465 13.7,466 0.489,467 0.844,468 0.03,469 32.5,470 1.161,471 14,472 0.5,473 18.5,474 0.661,475 29.774,476 1.063,477 30.1,478 0.568,479 21.075,480 0.753,481 5.726,482 0.205,483 7.774,484 0.278,485 0.097,486 0.036,487 0.321,493 0.769,494 1.243,495 0.759,496 0.987,497 0.594,498 0.946,499 1.021,500 1.049,501 0.793,502 0.881,503 0.663,504 0.848,505 1.022,506 1.164,507 1.003,508 1.075,509 1.017,510 1.137,511 0.791,512 1.047,513 1.111,514 1.086,515 0.717,516 0.933,517 1.484,518 0.945,519 1.444,520 1.1,521 1.805,522 1.015,523 0.949,524 1.251,525 1.322,526 1.329,527 0.61,528 1.153,529 1.322,530 1.019,531 1.015,532 1.002,533 1.263,534 1.035,535 1.273,536 0.947,537 1.046,538 0.981,539 1.429,540 1.051,541 6.5,542 0.168,543 3.556,544 2.674,545 1.525,546 1.036,547 0.546,548 0.47,549 0.286,550 0.241,551 9990,552 22653,553 2.168,554 47.2,555 6,556 11,557 1,559 1,560 4,561 2,564 1.713,565 2.036,566 3.331,567 -0.358,569 1,573 82.621,574 1.559,575 3.67,576 4.728,577 5.133,578 5.171,579 5.171,580 2.751,581 4.736,582 4.783,583 3.482,584 1316.16,585 8.326,586 16868.6,588 1,590 1,591 303.58,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.058,598 0.035,599 0.028,600 0.014,601 0.012,602 0.009,603 0.01,604 0.454,605 0.5,606 0.88,607 0.517,608 138.808,609 -0.009,610 -0.103,611 0.084,612 0.013,613 -0.018,614 0.033,615 -0.018,616 0.036,617 0.138,618 0.105,619 0.006,620 0.117,621 -0.055,622 -0.116,623 -0.074,624 -0.104,625 -0.101,626 -0.172,627 0.068,628 -0.061,629 0.06,630 -0.002,631 0.13,632 0.077,633 -0.124,634 0.154,635 -0.197,636 -0.02,637 -0.245,638 -0.071,639 0.006,640 -0.189,641 -0.173,642 -0.224,643 0.012,644 -0.159,645 -0.117,646 0.008,647 -0.07,648 -0.054,649 -0.077,650 -0.087,651 -0.043,652 -0.024,653 -0.093,654 -0.024,655 -0.044,656 -0.077,657 1.42,658 5.605,659 0.857,660 22.429,661 0.995,662 1.121,663 2.846,664 8.102,665 0.678,666 3.497,667 3.892,668 4.19,669 4.533,670 4.745,671 4.89,672 5.037,673 5.204,674 5.268,675 5.342,676 6.144,677 0.632,678 395.57,679 3.497,680 5.081,681 5.958,682 6.878,683 7.77,684 8.693,685 9.591,686 10.514,687 11.415,688 12.338,689 5.7,695 1,697 1,699 1,703 2,704 5,705 1,706 1,708 1,709 4,711 15,716 1,726 1,731 53,733 16,734 1,735 32,737 57,738 22,739 11,740 2,741 4,742 1,746 5,747 7,752 2,753 1,754 1,755 3,758 4,761 12,762 10,766 1,771 1,775 1,778 1,781 25,782 4,783 1,784 6,785 1,790 3,794 0.6,795 2,807 1,811 2,812 3,815 2,839 1,840 3,842 1,844 2,848 28,854 6,856 1,858 1,859 1,860 1,863 1,870 3.8,873 1,874 1,877 13.75,878 10.15,879 5.833,880 3.296,881 2.961,882 1.361,883 1.003,884 4.555,885 11.166,886 3.726,887 4.35,888 4.942,889 5.563,890 5.961,891 6.288,892 6.612,893 6.926,894 6.949,895 7.204,896 0.857,897 46,898 10.443,900 4.609,901 7.539,902 20.599,904 18.126,905 2.039,906 57.083,908 1,909 1,910 282.506,911 132.427,912 36.695,914 36.145,916 31.278,917 101.149,918 318.651,919 36.695,920 17.65,921 18.894,922 46.952,923 58.064,924 28.926,925 15.274,926 302.013,928 282.506,929 137.844,930 36.145,931 31.278,933 258.964,934 48.687,935 11,937 56.588,938 64.471,939 16.786,940 31.278,941 282.506,942 72.84,943 132.427,946 282.506,947 67.824,948 67.727,949 16.786,950 52.93,951 282.506,952 72.84,953 132.427,955 0.599,956 0.347,957 0.199,958 0.106,959 27,960 11,961 0.053,962 3,963 2,964 1.167,965 3.943,966 262.823,967 0.167,968 24,969 132.606,970 1,974 18.323,975 6.961,976 3.429,977 2.432,978 56.055,979 10.513,980 4.923,981 3.37,983 1.573,984 4.129,986 16.786,987 487.773,988 40.5,993 12.605,997 0.247,999 52.756,1000 59.401,1001 0.272,1002 0.641,1003 0.825,1004 0.896,1005 0.903,1006 0.903,1007 5.016,1008 1.546,1009 5.994,1010 5.261,1011 4.575,1012 5.037,1013 1.903,1014 6.882,1015 4.485,1016 6.241,1017 1.434,1018 7.6,1019 3.757,1020 4.369,1021 4.966,1022 0.325,1023 8.038,1024 4.282,1025 7.578,1026 1.138,1027 9.311,1028 3.251,1029 6.286,1030 7.256,1031 2.065,1032 11.093,1033 6.133,1034 8.948,1035 1.06,1036 11.083,1037 2.75,1038 6.878,1039 8.026,1040 0.268,1041 13.017,1042 6.723,1043 10.35,1044 0.8,1045 12.891,1046 2.711,1047 8.311,1048 9.82,1049 2.377,1050 15.63,1051 8.111,1052 11.775,1053 0.634,1054 14.724,1055 2.294,1056 9.238,1057 10.976,1058 0.188,1059 17.838,1060 9.03,1061 13.217,1062 -0.008,1063 16.573,1064 1.476,1065 10.497,1066 12.578,1067 2.77,1068 20.31,1069 10.259,1070 3.346,1071 -0.261,1072 18.434,1073 -0.022,1074 11.564,1075 13.911,1076 0.125,1077 22.631,1078 11.316,1079 3.112,1080 11.537,1081 20.303,1082 -0.803,1083 12.763,1084 15.437,1085 3.207,1086 25.056,1087 12.493,1088 2.994,1089 10.526,1090 22.178,1091 4.474,1092 13.889,1093 16.851,1094 0.082,1095 27.425,1096 13.61,1097 2.7,1098 10.174,1099 24.059,1100 4.139,1101 15.068,1102 18.348,1103 3.668,1104 29.838,1105 14.774,1106 2.14,1107 9.234,1108 25.943,1109 3.264,1110 16.222,1111 19.798,1112 0.054,1113 32.23,1114 15.918,1115 1.958,1116 6.57,1117 27.831,1118 2.969,1119 17.397,1120 21.284,1121 4.142,1122 34.641,1123 17.082,1124 1.742,1125 5.886,1126 29.721,1127 2.766,1128 18.564,1129 22.751,1130 0.035,1131 37.046,1132 18.24,1133 9201,1134 13985,1135 21.671,1136 35.949,1137 50.088,1138 50.939,1139 50.144,1140 49.064,1141 49.209,1142 61.674,1143 5.875,1144 150.851,1145 46.824,1146 5.552,1147 5.735,1148 6.559,1149 5.468,1150 5.346,1151 7.474,1152 2.555,1153 18.866,1154 5.302,1155 11.832,1156 1.565,1157 1.592,1158 1.567,1159 1.533,1160 1.538,1161 1.927,1162 0.184,1163 4.714,1164 1.463,1165 4.136,1166 4.17,1167 4.277,1168 4.055,1169 7.427,1170 4.056,1171 4.006,1172 4.03,1173 4.077,1174 3.959,1175 4.973,1176 3.923,1177 3.776,1178 3.826,1179 3.677,1180 3.613,1181 4.797,1182 3.614,1183 3.518,1184 3.558,1185 3.564,1186 3.456,1187 4.578,1188 3.408,1189 3.425,1190 3.48,1191 3.313,1192 3.293,1193 4.306,1194 3.289,1195 3.198,1196 3.282,1197 3.096,1198 3.021,1199 4.214,1200 3.01,1201 3.182,1202 3.215,1203 3.023,1204 2.955,1205 3.861,1206 2.978,1207 2.951,1208 3.025,1209 2.79,1210 2.804,1211 3.685,1212 2.792,1213 0.142,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.552,1219 0.14,1220 3.735,1221 0.04,1222 6.876,1223 0.361,1224 4.328,1225 0.103,1226 3.346,1227 4.474,1228 1.277,1229 11.537,1230 3.302,1231 1.944,1232 1.92,1233 2.049,1234 2.031,1235 1.375,1236 2.037,1237 1.883,1238 1.852,1239 2.044,1240 2.003,1241 1.325,1242 2.02,1243 1.767,1244 1.719,1245 1.936,1246 1.966,1247 1.13,1248 1.962,1249 1.514,1250 1.462,1251 1.705,1252 1.717,1253 0.945,1254 1.716,1255 1.338,1256 1.317,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.2,1262 1.142,1263 1.481,1264 1.424,1265 0.667,1266 1.453,1267 1.185,1268 1.118,1269 1.417,1270 1.4,1271 0.584,1272 1.393,1273 1.001,1274 0.94,1275 1.36,1276 1.239,1277 0.469,1278 1.308,1279 4.174,1281 5.549,1282 3.045,1283 7.109,1284 5.416,1285 8.755,1286 7.535,1287 10.447,1289 4.308,1295 4.591,1297 5.809,1299 0.226,1300 2.356,1301 0.004,1305 33.476,1306 82.621,1307 194.505,1308 250.56,1309 272.07,1310 274.07,1311 274.07,1312 44.513,1313 8.205,1314 58.22,1315 86.46,1316 28,1317 12.848,1318 4.087,1319 3.248,1320 37.58,1321 102,1322 98,1323 0.178,1324 203.85,1325 345.27,1326 489.153,1327 46075,1329 19.303,1330 0.689,1331 0.612,1332 19.656,1333 17.142,1334 13.5,1335 0.422,1336 0.336,1337 9.883,1338 12.663,1339 9.49,1340 7.812,1341 13.908,1342 10.74,1343 13.195,1344 0.275,1345 0.202,1346 13.811,1347 9.676,1348 10.867,1349 0.167,1350 0.108,1351 11.757,1352 7.004,1353 9.988,1354 0.109,1355 0.061,1356 10.904,1357 5.578,1358 7.76,1359 0.068,1360 0.036,1361 8.713,1362 4.12,1363 0.275,1364 88.059,1365 0.215,1366 26.35,1367 0.501,1368 160,1369 397.955,1370 198.295,1371 404.977,1372 562.84,1373 382,1374 193,1375 401.973,1376 231.475,1377 425.735,1378 633.12,1379 400,1380 5.808}
{0 CHEMBL514061,1 1.559,2 10.179,3 4.182,4 17.488,5 113.057,6 7.464,7 0.469,8 4.077,9 4.19,10 3.704,11 3.674,12 5.056,13 3.62,14 4.677,15 4.847,16 4.153,17 4.128,18 5.587,19 4.057,20 4.953,21 5.147,22 4.2,23 4.302,24 5.853,25 4.18,26 5.116,27 5.377,28 4.142,29 4.306,30 5.968,31 4.136,32 4.904,33 5.127,34 4.032,35 4.135,36 5.86,37 3.997,38 4.756,39 4.952,40 3.961,41 4.086,42 5.61,43 3.96,44 4.806,45 5.013,46 3.987,47 4.086,48 5.724,49 3.977,50 4.9,51 5.136,52 3.81,53 4.076,54 5.809,55 3.918,56 0.026,57 0.782,58 11.844,59 5.343,60 6.807,61 6.843,62 0.217,63 1.373,64 24.941,65 9.298,66 18.775,67 12.222,68 0.315,69 1.736,70 33.528,71 12.707,72 32.016,73 16.52,74 0.366,75 1.955,76 47.779,77 16.388,78 46.651,79 21.022,80 0.576,81 1.642,82 39.124,83 11.964,84 57.354,85 14.653,86 0.223,87 1.426,88 31.256,89 11.29,90 20.302,91 14.043,92 0.304,93 1.457,94 29.789,95 10.535,96 30.767,97 13.703,98 0.449,99 1.475,100 34.278,101 12.448,102 55.604,103 16.051,104 10,105 48,106 0.258,107 0.608,108 0.784,109 0.851,110 0.857,111 0.857,112 3.375,113 1.007,114 -4.08,115 -4.02,116 -3.81,119 41.5,120 2,121 3,123 1,125 3,127 1,142 4,143 2,146 1,151 1,152 2,157 1,162 1,172 10,174 1,175 5,180 3,183 12,186 1,187 5,192 3,195 7,198 1,199 10,204 1,207 5,211 2,212 6,215 1,220 4,224 6,227 1,232 2,237 6,240 1,242 1,245 4,249 1,250 6,258 7,263 4,268 1,271 6,275 1196,276 18.894,277 18.894,278 18.894,279 18.894,280 18.894,281 17.076,282 21.121,283 10.874,284 19.378,285 15.851,286 15.851,287 15.851,288 15.851,289 15.851,290 12.998,291 26.439,292 5.201,293 16.678,294 4.169,295 2.058,296 1,297 0.595,298 0.557,299 0.557,300 4.085,304 1,305 1,306 639,307 2.915,310 103.328,311 216.754,314 200.097,318 1.548,319 23.766,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 285,332 4.552,333 3.735,334 6.876,335 4.328,336 3.346,337 4.474,338 1.277,339 11.537,340 3.302,341 4.524,342 3.327,343 6.589,344 4.083,345 3.112,346 4.139,347 0.86,348 10.526,349 3.041,350 4.14,351 3.101,352 6.494,353 3.924,354 2.994,355 3.264,356 0.8,357 10.174,358 2.753,359 3.854,360 3.078,361 6.239,362 3.658,363 2.7,364 2.969,366 9.234,367 2.582,368 3.465,369 2.689,370 5.324,371 3.117,372 2.14,373 2.766,375 6.57,376 2.082,377 3.323,378 2.245,379 5.118,380 2.952,381 1.958,382 2.507,384 5.886,385 1.938,386 3.046,387 2.19,388 4.924,389 2.671,390 1.742,391 2.318,393 5.261,394 1.602,395 2.992,396 1.717,397 4.193,398 2.518,399 1.546,400 2.091,402 3.757,403 1.5,404 2.648,405 1.546,406 3.965,407 2.358,408 1.434,409 1.707,411 3.251,412 1.31,413 2.433,414 1.399,415 3.792,416 2.121,417 1.138,418 1.429,420 2.75,421 1.116,422 2.333,423 1.202,424 3.601,425 1.91,426 1.06,427 1.231,428 2.711,429 0.888,430 2.128,431 1.19,432 3.572,433 1.693,434 0.8,435 1.056,436 2.294,437 0.692,438 2.058,439 0.723,440 3.234,441 1.591,442 0.634,443 0.885,445 1.476,446 0.605,447 1.151,448 0.549,449 3.149,450 0.947,451 -0.008,452 -0.009,454 -0.022,455 -0.008,456 1.023,457 0.213,458 2.794,459 0.72,460 -0.261,461 -0.303,463 -0.803,464 -0.249,465 13.7,466 0.489,467 0.844,468 0.03,469 32.5,470 1.161,471 14,472 0.5,473 18.5,474 0.661,475 29.774,476 1.063,477 30.1,478 0.568,479 21.075,480 0.753,481 5.726,482 0.205,483 7.774,484 0.278,485 0.097,486 0.036,487 0.321,493 0.769,494 1.243,495 0.759,496 0.987,497 0.594,498 0.946,499 1.021,500 1.049,501 0.793,502 0.881,503 0.663,504 0.848,505 1.022,506 1.164,507 1.003,508 1.075,509 1.017,510 1.137,511 0.791,512 1.047,513 1.111,514 1.086,515 0.717,516 0.933,517 1.484,518 0.945,519 1.444,520 1.1,521 1.805,522 1.015,523 0.949,524 1.251,525 1.322,526 1.329,527 0.61,528 1.153,529 1.322,530 1.019,531 1.015,532 1.002,533 1.263,534 1.035,535 1.273,536 0.947,537 1.046,538 0.981,539 1.429,540 1.051,541 6.5,542 0.168,543 3.556,544 2.674,545 1.525,546 1.036,547 0.546,548 0.47,549 0.286,550 0.241,551 9990,552 22653,553 2.168,554 47.2,555 6,556 11,557 1,559 1,560 4,561 2,564 1.713,565 2.036,566 3.331,567 -0.358,569 1,573 82.621,574 1.559,575 3.67,576 4.728,577 5.133,578 5.171,579 5.171,580 2.751,581 4.736,582 4.783,583 3.482,584 1316.16,585 8.326,586 16868.6,588 1,590 1,591 303.58,592 1.526,593 4.738,594 0.203,595 0.009,596 0.074,597 0.058,598 0.035,599 0.028,600 0.014,601 0.012,602 0.009,603 0.01,604 0.454,605 0.5,606 0.88,607 0.517,608 138.808,609 -0.009,610 -0.103,611 0.084,612 0.013,613 -0.018,614 0.033,615 -0.018,616 0.036,617 0.138,618 0.105,619 0.006,620 0.117,621 -0.055,622 -0.116,623 -0.074,624 -0.104,625 -0.101,626 -0.172,627 0.068,628 -0.061,629 0.06,630 -0.002,631 0.13,632 0.077,633 -0.124,634 0.154,635 -0.197,636 -0.02,637 -0.245,638 -0.071,639 0.006,640 -0.189,641 -0.173,642 -0.224,643 0.012,644 -0.159,645 -0.117,646 0.008,647 -0.07,648 -0.054,649 -0.077,650 -0.087,651 -0.043,652 -0.024,653 -0.093,654 -0.024,655 -0.044,656 -0.077,657 1.42,658 5.605,659 0.857,660 22.429,661 0.995,662 1.121,663 2.846,664 8.102,665 0.678,666 3.497,667 3.892,668 4.19,669 4.533,670 4.745,671 4.89,672 5.037,673 5.204,674 5.268,675 5.342,676 6.144,677 0.632,678 395.57,679 3.497,680 5.081,681 5.958,682 6.878,683 7.77,684 8.693,685 9.591,686 10.514,687 11.415,688 12.338,689 5.7,695 1,697 1,699 1,703 2,704 5,705 1,706 1,708 1,709 4,711 15,716 1,726 1,731 53,733 16,734 1,735 32,737 57,738 22,739 11,740 2,741 4,742 1,746 5,747 7,752 2,753 1,754 1,755 3,758 4,761 12,762 10,766 1,771 1,775 1,778 1,781 25,782 4,783 1,784 6,785 1,790 3,794 0.6,795 2,807 1,811 2,812 3,815 2,839 1,840 3,842 1,844 2,848 28,854 6,856 1,858 1,859 1,860 1,863 1,870 3.8,873 1,874 1,877 13.75,878 10.15,879 5.833,880 3.296,881 2.961,882 1.361,883 1.003,884 4.555,885 11.166,886 3.726,887 4.35,888 4.942,889 5.563,890 5.961,891 6.288,892 6.612,893 6.926,894 6.949,895 7.204,896 0.857,897 46,898 10.443,900 4.609,901 7.539,902 20.599,904 18.126,905 2.039,906 57.083,908 1,909 1,910 282.506,911 132.427,912 36.695,914 36.145,916 31.278,917 101.149,918 318.651,919 36.695,920 17.65,921 18.894,922 46.952,923 58.064,924 28.926,925 15.274,926 302.013,928 282.506,929 137.844,930 36.145,931 31.278,933 258.964,934 48.687,935 11,937 56.588,938 64.471,939 16.786,940 31.278,941 282.506,942 72.84,943 132.427,946 282.506,947 67.824,948 67.727,949 16.786,950 52.93,951 282.506,952 72.84,953 132.427,955 0.599,956 0.347,957 0.199,958 0.106,959 27,960 11,961 0.053,962 3,963 2,964 1.167,965 3.943,966 262.823,967 0.167,968 24,969 132.606,970 1,974 18.323,975 6.961,976 3.429,977 2.432,978 56.055,979 10.513,980 4.923,981 3.37,983 1.573,984 4.129,986 16.786,987 487.773,988 40.5,993 12.605,997 0.247,999 52.756,1000 59.401,1001 0.272,1002 0.641,1003 0.825,1004 0.896,1005 0.903,1006 0.903,1007 5.016,1008 1.546,1009 5.994,1010 5.261,1011 4.575,1012 5.037,1013 1.903,1014 6.882,1015 4.485,1016 6.241,1017 1.434,1018 7.6,1019 3.757,1020 4.369,1021 4.966,1022 0.325,1023 8.038,1024 4.282,1025 7.578,1026 1.138,1027 9.311,1028 3.251,1029 6.286,1030 7.256,1031 2.065,1032 11.093,1033 6.133,1034 8.948,1035 1.06,1036 11.083,1037 2.75,1038 6.878,1039 8.026,1040 0.268,1041 13.017,1042 6.723,1043 10.35,1044 0.8,1045 12.891,1046 2.711,1047 8.311,1048 9.82,1049 2.377,1050 15.63,1051 8.111,1052 11.775,1053 0.634,1054 14.724,1055 2.294,1056 9.238,1057 10.976,1058 0.188,1059 17.838,1060 9.03,1061 13.217,1062 -0.008,1063 16.573,1064 1.476,1065 10.497,1066 12.578,1067 2.77,1068 20.31,1069 10.259,1070 3.346,1071 -0.261,1072 18.434,1073 -0.022,1074 11.564,1075 13.911,1076 0.125,1077 22.631,1078 11.316,1079 3.112,1080 11.537,1081 20.303,1082 -0.803,1083 12.763,1084 15.437,1085 3.207,1086 25.056,1087 12.493,1088 2.994,1089 10.526,1090 22.178,1091 4.474,1092 13.889,1093 16.851,1094 0.082,1095 27.425,1096 13.61,1097 2.7,1098 10.174,1099 24.059,1100 4.139,1101 15.068,1102 18.348,1103 3.668,1104 29.838,1105 14.774,1106 2.14,1107 9.234,1108 25.943,1109 3.264,1110 16.222,1111 19.798,1112 0.054,1113 32.23,1114 15.918,1115 1.958,1116 6.57,1117 27.831,1118 2.969,1119 17.397,1120 21.284,1121 4.142,1122 34.641,1123 17.082,1124 1.742,1125 5.886,1126 29.721,1127 2.766,1128 18.564,1129 22.751,1130 0.035,1131 37.046,1132 18.24,1133 9201,1134 13985,1135 21.671,1136 35.949,1137 50.088,1138 50.939,1139 50.144,1140 49.064,1141 49.209,1142 61.674,1143 5.875,1144 150.851,1145 46.824,1146 5.552,1147 5.735,1148 6.559,1149 5.468,1150 5.346,1151 7.474,1152 2.555,1153 18.866,1154 5.302,1155 11.832,1156 1.565,1157 1.592,1158 1.567,1159 1.533,1160 1.538,1161 1.927,1162 0.184,1163 4.714,1164 1.463,1165 4.136,1166 4.17,1167 4.277,1168 4.055,1169 7.427,1170 4.056,1171 4.006,1172 4.03,1173 4.077,1174 3.959,1175 4.973,1176 3.923,1177 3.776,1178 3.826,1179 3.677,1180 3.613,1181 4.797,1182 3.614,1183 3.518,1184 3.558,1185 3.564,1186 3.456,1187 4.578,1188 3.408,1189 3.425,1190 3.48,1191 3.313,1192 3.293,1193 4.306,1194 3.289,1195 3.198,1196 3.282,1197 3.096,1198 3.021,1199 4.214,1200 3.01,1201 3.182,1202 3.215,1203 3.023,1204 2.955,1205 3.861,1206 2.978,1207 2.951,1208 3.025,1209 2.79,1210 2.804,1211 3.685,1212 2.792,1213 0.142,1214 0.117,1215 0.215,1216 0.135,1217 0.105,1218 4.552,1219 0.14,1220 3.735,1221 0.04,1222 6.876,1223 0.361,1224 4.328,1225 0.103,1226 3.346,1227 4.474,1228 1.277,1229 11.537,1230 3.302,1231 1.944,1232 1.92,1233 2.049,1234 2.031,1235 1.375,1236 2.037,1237 1.883,1238 1.852,1239 2.044,1240 2.003,1241 1.325,1242 2.02,1243 1.767,1244 1.719,1245 1.936,1246 1.966,1247 1.13,1248 1.962,1249 1.514,1250 1.462,1251 1.705,1252 1.717,1253 0.945,1254 1.716,1255 1.338,1256 1.317,1257 1.526,1258 1.498,1259 0.693,1260 1.519,1261 1.2,1262 1.142,1263 1.481,1264 1.424,1265 0.667,1266 1.453,1267 1.185,1268 1.118,1269 1.417,1270 1.4,1271 0.584,1272 1.393,1273 1.001,1274 0.94,1275 1.36,1276 1.239,1277 0.469,1278 1.308,1279 4.174,1281 5.549,1282 3.045,1283 7.109,1284 5.416,1285 8.755,1286 7.535,1287 10.447,1289 4.308,1295 4.591,1297 5.809,1299 0.226,1300 2.356,1301 0.004,1305 33.476,1306 82.621,1307 194.505,1308 250.56,1309 272.07,1310 274.07,1311 274.07,1312 44.513,1313 8.205,1314 58.22,1315 86.46,1316 28,1317 12.848,1318 4.087,1319 3.248,1320 37.58,1321 102,1322 98,1323 0.178,1324 203.85,1325 345.27,1326 489.153,1327 46075,1329 19.303,1330 0.689,1331 0.612,1332 19.656,1333 17.142,1334 13.5,1335 0.422,1336 0.336,1337 9.883,1338 12.663,1339 9.49,1340 7.812,1341 13.908,1342 10.74,1343 13.195,1344 0.275,1345 0.202,1346 13.811,1347 9.676,1348 10.867,1349 0.167,1350 0.108,1351 11.757,1352 7.004,1353 9.988,1354 0.109,1355 0.061,1356 10.904,1357 5.578,1358 7.76,1359 0.068,1360 0.036,1361 8.713,1362 4.12,1363 0.275,1364 88.059,1365 0.215,1366 26.35,1367 0.501,1368 160,1369 397.955,1370 198.295,1371 404.977,1372 562.84,1373 382,1374 193,1375 401.973,1376 231.475,1377 425.735,1378 633.12,1379 400,1380 5.593}
{0 CHEMBL514869,1 1.594,2 10.276,3 3.535,4 12.493,5 116.022,6 7.465,7 0.455,8 4.117,9 4.237,10 3.739,11 3.686,12 5.105,13 3.639,14 4.711,15 4.885,16 4.18,17 4.137,18 5.649,19 4.07,20 5.003,21 5.199,22 4.275,23 4.339,24 5.902,25 4.228,26 5.194,27 5.457,28 4.228,29 4.369,30 6.047,31 4.205,32 4.985,33 5.22,34 4.104,35 4.215,36 5.898,37 4.064,38 4.837,39 5.03,40 4.003,41 4.11,42 5.775,43 3.993,44 4.833,45 5.044,46 4.034,47 4.088,48 5.765,49 3.995,50 4.939,51 5.172,52 3.891,53 4.12,54 5.869,55 3.977,56 0.028,57 0.843,58 12.401,59 5.358,60 7.452,61 6.945,62 0.283,63 1.443,64 25.909,65 9.229,66 25.131,67 12.366,68 0.31,69 1.855,70 35.291,71 12.816,72 29.824,73 17.195,74 0.496,75 2.104,76 50.94,77 16.545,78 55.724,79 21.6,80 0.538,81 1.768,82 43.426,83 13.478,84 48.67,85 16.893,86 0.318,87 1.5,88 33.991,89 11.654,90 38.653,91 14.387,92 0.345,93 1.508,94 30.708,95 10.043,96 33.134,97 13.344,98 0.548,99 1.548,100 35.372,101 12.168,102 60.29,103 15.986,104 10,105 49,106 0.262,107 0.621,108 0.797,109 0.857,110 0.863,111 0.863,112 3.409,113 0.999,114 -3.71,115 -3.68,116 -3.5,119 40,120 2,121 2,123 1,125 4,127 1,142 4,143 2,146 1,151 1,152 2,158 1,162 1,172 9,174 1,175 4,178 1,180 4,183 9,186 1,187 4,192 7,195 6,198 1,199 8,202 1,204 1,207 5,211 2,212 7,215 2,220 4,224 6,227 1,232 2,237 6,240 1,242 2,245 3,249 1,250 5,253 1,255 1,258 6,263 4,268 2,271 5,275 1308,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 17.783,282 23.419,283 11.301,284 20.144,285 16.324,286 16.324,287 16.324,288 16.324,289 16.324,290 13.455,291 29.987,292 5.391,293 17.235,294 4.188,295 2.006,296 0.937,297 0.573,298 0.537,299 0.537,300 4.118,304 1,305 1,306 665,307 2.915,310 104.318,311 152.229,312 81.161,314 103.818,315 111.971,318 1.596,319 24.909,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62,331 298,332 4.535,333 3.642,334 6.808,335 4.27,336 3.297,337 4.474,338 1.058,339 11.276,340 3.232,341 4.505,342 3.322,343 6.598,344 4.084,345 3.115,346 4.126,347 0.86,348 10.553,349 3.041,350 4.145,351 3.205,352 6.509,353 3.953,354 3.014,355 3.218,356 0.8,357 10.218,358 2.793,359 3.919,360 3.097,361 6.298,362 3.72,363 2.763,364 3.056,366 9.428,367 2.628,368 3.491,369 2.675,370 5.324,371 3.138,372 2.179,373 2.786,375 6.59,376 2.079,377 3.335,378 2.246,379 5.096,380 2.959,381 1.979,382 2.531,384 5.856,385 1.933,386 3.046,387 2.19,388 4.911,389 2.674,390 1.751,391 2.318,393 5.235,394 1.602,395 2.993,396 1.719,397 4.194,398 2.518,399 1.546,400 2.09,402 3.757,403 1.5,404 2.648,405 1.546,406 3.979,407 2.358,408 1.434,409 1.707,411 3.258,412 1.311,413 2.434,414 1.417,415 3.854,416 2.121,417 1.139,418 1.429,420 2.849,421 1.116,422 2.372,423 1.243,424 3.605,425 1.916,426 1.072,427 1.3,428 2.712,429 0.892,430 2.137,431 1.193,432 3.572,433 1.82,434 0.943,435 1.098,436 2.559,437 0.814,438 2.058,439 1.115,440 3.46,441 1.592,442 0.635,443 0.885,445 1.478,446 0.606,447 1.677,448 0.723,449 3.149,450 1.369,451 0.385,452 0.463,454 0.917,455 0.369,456 1.148,457 0.215,458 2.919,459 0.94,460 -0.016,461 -0.018,463 -0.041,464 -0.015,465 14.1,466 0.486,467 0.844,468 0.029,469 33.5,470 1.155,471 14,472 0.483,473 19.5,474 0.672,475 31.042,476 1.07,477 31.5,478 0.573,479 22.705,480 0.783,481 6.03,482 0.208,483 7.97,484 0.275,485 0.095,486 0.035,487 0.312,493 0.826,494 1.301,495 0.768,496 1.002,497 0.618,498 0.952,499 0.997,500 1.057,501 0.807,502 0.881,503 0.633,504 0.857,505 0.92,506 1.24,507 0.955,508 1.11,509 0.841,510 1.134,511 0.923,512 0.967,513 1.115,514 1.013,515 0.913,516 0.918,517 1.025,518 0.954,519 1.423,520 1.21,521 1.033,522 1.034,523 1.351,524 1.259,525 1.367,526 1.315,527 1.592,528 1.166,529 1.413,530 1.011,531 1.024,532 0.96,533 1.307,534 0.991,535 1.298,536 0.907,537 1.079,538 0.955,539 1.447,540 1.047,541 6.5,542 0.172,543 3.778,544 2.611,545 1.674,546 1.063,547 0.532,548 0.457,549 0.31,550 0.241,551 10868,552 25123,553 2.162,554 47.3,555 6,556 13,557 1,559 2,560 2,561 2,564 1.722,565 2.035,566 3.344,567 0.228,569 1,573 87.656,574 1.594,575 3.776,576 4.845,577 5.208,578 5.245,579 5.245,580 2.76,581 4.487,582 4.833,583 3.508,584 1424.3,585 8.43,586 18714,588 1,590 1,591 317.975,592 1.503,593 4.79,594 0.197,595 0.008,596 0.077,597 0.052,598 0.036,599 0.027,600 0.014,601 0.011,602 0.009,603 0.01,604 0.441,605 0.5,606 0.88,607 0.506,608 145.402,609 -0.033,610 -0.119,611 0.08,612 0.011,613 -0.028,614 0.033,615 0.021,616 0.049,617 0.128,618 0.112,619 0.052,620 0.111,621 -0.018,622 -0.182,623 -0.033,624 -0.129,625 -0.049,626 -0.158,627 0.006,628 0.027,629 0.041,630 0.051,631 0.025,632 0.077,633 0.018,634 0.124,635 -0.138,636 -0.068,637 -0.03,638 -0.048,639 -0.106,640 -0.219,641 -0.216,642 -0.214,643 -0.162,644 -0.182,645 -0.164,646 0.04,647 -0.068,648 -0.019,649 -0.101,650 -0.055,651 -0.05,652 0.044,653 -0.128,654 -0.004,655 -0.06,656 -0.083,657 1.657,658 5.586,659 0.862,660 23.969,661 0.997,662 1.125,663 2.48,664 6.153,665 0.672,666 3.526,667 3.912,668 4.205,669 4.522,670 4.754,671 4.92,672 5.075,673 5.193,674 5.318,675 5.384,676 6.266,677 0.627,678 410.59,679 3.526,680 5.106,681 5.979,682 6.891,683 7.78,684 8.694,685 9.591,686 10.505,687 11.405,688 12.32,689 7.3,695 1,696 1,697 1,699 1,703 2,704 5,705 1,706 1,708 1,709 4,711 15,718 1,726 1,731 55,733 16,734 1,735 33,737 59,738 22,739 11,740 2,741 4,742 1,746 5,747 7,752 2,753 1,754 1,755 2,758 3,761 12,762 10,766 1,771 1,775 1,778 1,781 26,782 5,783 2,784 7,785 1,790 4,794 0.6,795 2,807 1,811 2,812 2,813 1,815 1,816 1,839 1,840 3,842 1,844 2,848 29,854 6,855 1,856 1,858 1,859 1,860 1,863 1,870 3.6,873 1,874 1,877 14.25,878 10.4,879 6.083,880 3.358,881 2.957,882 1.357,883 1.002,884 4.968,885 11.247,886 3.75,887 4.363,888 4.949,889 5.552,890 5.963,891 6.288,892 6.615,893 6.906,894 6.986,895 7.239,896 0.857,897 50,898 10.803,900 4.74,901 7.555,902 21.232,904 18.5,905 2.055,906 59.583,908 1,909 1,910 282.506,911 131.569,912 54.706,914 36.145,916 31.278,917 100.291,918 318.651,919 54.706,920 17.65,921 36.476,922 46.952,923 57.635,924 28.926,925 15.274,926 302.013,928 282.506,929 154.997,930 36.145,931 31.278,933 258.964,934 48.687,935 11,937 74.169,938 64.042,939 16.786,940 31.278,941 282.506,942 90.851,943 131.569,946 282.506,947 66.966,948 67.727,949 34.796,950 52.93,951 282.506,952 90.851,953 131.569,955 0.597,956 0.346,957 0.192,958 0.107,959 27,960 11,961 0.051,962 3,963 2,964 1.16,965 4.002,966 275.496,967 0.16,968 25,969 138.881,970 1,974 19.225,975 7.495,976 3.738,977 2.416,978 74.065,979 10.491,980 4.943,981 3.369,983 1.523,984 3.93,986 34.796,987 504.926,988 41.5,993 12.586,997 0.01,999 54.858,1000 61.899,1001 0.276,1002 0.653,1003 0.838,1004 0.901,1005 0.907,1006 0.907,1007 5.035,1008 1.546,1009 6.009,1010 5.235,1011 4.595,1012 5.05,1013 1.737,1014 6.887,1015 4.496,1016 6.255,1017 1.434,1018 7.61,1019 3.757,1020 4.369,1021 4.966,1022 0.325,1023 8.038,1024 4.272,1025 7.588,1026 1.139,1027 9.317,1028 3.258,1029 6.297,1030 7.26,1031 1.622,1032 11.078,1033 6.126,1034 8.954,1035 1.072,1036 11.084,1037 2.849,1038 6.878,1039 8.026,1040 0.268,1041 13.002,1042 6.705,1043 10.354,1044 0.943,1045 12.89,1046 2.712,1047 8.31,1048 9.819,1049 1.587,1050 15.596,1051 8.082,1052 11.776,1053 0.635,1054 14.72,1055 2.559,1056 9.225,1057 10.971,1058 0.188,1059 17.798,1060 8.987,1061 13.214,1062 0.385,1063 16.566,1064 1.478,1065 10.479,1066 12.573,1067 1.592,1068 20.25,1069 10.202,1070 3.297,1071 -0.016,1072 18.423,1073 0.917,1074 11.534,1075 13.904,1076 0.125,1077 22.559,1078 11.241,1079 3.115,1080 11.276,1081 20.289,1082 -0.041,1083 12.723,1084 15.429,1085 1.624,1086 24.964,1087 12.401,1088 3.014,1089 10.553,1090 22.16,1091 4.474,1092 13.837,1093 16.841,1094 0.082,1095 27.316,1096 13.497,1097 2.763,1098 10.218,1099 24.037,1100 4.126,1101 15.004,1102 18.338,1103 1.676,1104 29.707,1105 14.641,1106 2.179,1107 9.428,1108 25.917,1109 3.218,1110 16.144,1111 19.787,1112 0.054,1113 32.079,1114 15.763,1115 1.979,1116 6.59,1117 27.799,1118 3.056,1119 17.306,1120 21.273,1121 1.742,1122 34.467,1123 16.905,1124 1.751,1125 5.856,1126 29.684,1127 2.786,1128 18.458,1129 22.74,1130 0.035,1131 36.85,1132 18.04,1133 10032,1134 15394,1135 22.364,1136 36.955,1137 51.378,1138 52.32,1139 51.563,1140 50.427,1141 50.503,1142 62.964,1143 5.437,1144 153.37,1145 47.834,1146 5.535,1147 5.642,1148 6.491,1149 5.427,1150 5.297,1151 7.474,1152 2.117,1153 18.364,1154 5.232,1155 12.044,1156 1.557,1157 1.585,1158 1.563,1159 1.528,1160 1.53,1161 1.908,1162 0.165,1163 4.648,1164 1.45,1165 4.135,1166 4.17,1167 4.27,1168 4.053,1169 7.429,1170 4.055,1171 3.987,1172 4.017,1173 4.077,1174 3.929,1175 4.973,1176 3.891,1177 3.775,1178 3.828,1179 3.672,1180 3.614,1181 4.798,1182 3.612,1183 3.568,1184 3.602,1185 3.585,1186 3.493,1187 4.579,1188 3.455,1189 3.427,1190 3.482,1191 3.314,1192 3.296,1193 4.306,1194 3.293,1195 3.285,1196 3.348,1197 3.216,1198 3.022,1199 4.282,1200 3.034,1201 3.198,1202 3.282,1203 3.023,1204 2.989,1205 3.862,1206 3.008,1207 2.953,1208 3.026,1209 2.809,1210 2.804,1211 3.835,1212 2.792,1213 0.137,1214 0.11,1215 0.206,1216 0.129,1217 0.1,1218 4.535,1219 0.136,1220 3.642,1221 0.032,1222 6.808,1223 0.342,1224 4.27,1225 0.098,1226 3.297,1227 4.474,1228 1.058,1229 11.276,1230 3.232,1231 1.944,1232 1.92,1233 2.045,1234 2.031,1235 1.327,1236 2.037,1237 1.798,1238 1.747,1239 2.007,1240 1.972,1241 1.322,1242 1.974,1243 1.764,1244 1.717,1245 1.936,1246 1.937,1247 1.13,1248 1.954,1249 1.547,1250 1.536,1251 1.705,1252 1.726,1253 0.945,1254 1.716,1255 1.511,1256 1.456,1257 1.606,1258 1.715,1259 0.816,1260 1.7,1261 1.199,1262 1.126,1263 1.481,1264 1.424,1265 0.667,1266 1.453,1267 1.153,1268 1.116,1269 1.417,1270 1.386,1271 0.526,1272 1.392,1273 1.007,1274 0.94,1275 1.412,1276 1.243,1277 0.469,1278 1.308,1279 4.205,1281 5.572,1282 3.045,1283 7.116,1284 5.476,1285 8.736,1286 7.636,1287 10.398,1289 4.353,1295 4.532,1296 3.059,1297 5.817,1299 0.203,1300 2.338,1301 0.015,1305 34.497,1306 87.656,1307 207.655,1308 266.465,1309 286.465,1310 288.465,1311 288.465,1312 45.852,1313 8.29,1314 70.25,1315 98.49,1316 29,1317 12.835,1318 4.087,1319 3.248,1320 39.503,1321 108,1322 105,1323 0.177,1324 210.644,1325 356.27,1326 505.731,1327 51850,1329 20.01,1330 0.69,1331 0.608,1332 20.363,1333 17.642,1334 14,1335 0.424,1336 0.333,1337 10.112,1338 13.101,1339 9.73,1340 8.022,1341 14.408,1342 10.99,1343 13.53,1344 0.276,1345 0.199,1346 14.145,1347 9.759,1348 11.269,1349 0.171,1350 0.106,1351 12.159,1352 7.003,1353 9.816,1354 0.108,1355 0.059,1356 10.75,1357 5.402,1358 8.085,1359 0.07,1360 0.034,1361 8.965,1362 3.932,1363 0.273,1364 91.513,1365 0.211,1366 27.126,1367 0.498,1368 164,1369 416.287,1370 204.127,1371 422.014,1372 586.12,1373 398,1374 197,1375 419.663,1376 237.751,1377 443.02,1378 658.64,1379 416,1380 5.85}
{0 CHEMBL517163,1 1.624,2 12.711,3 3.13,4 9.798,5 144.356,6 7.767,7 0.512,8 4.32,9 4.446,10 3.927,11 3.81,12 5.439,13 3.82,14 4.863,15 5.043,16 4.32,17 4.229,18 5.956,19 4.222,20 5.05,21 5.23,22 4.376,23 4.356,24 6.151,25 4.324,26 5.164,27 5.378,28 4.402,29 4.354,30 6.285,31 4.317,32 5.162,33 5.38,34 4.308,35 4.31,36 6.276,37 4.278,38 5.09,39 5.298,40 4.365,41 4.366,42 6.152,43 4.322,44 5.191,45 5.413,46 4.394,47 4.409,48 6.243,49 4.357,50 5.186,51 5.416,52 4.345,53 4.334,54 6.306,55 4.278,56 0.096,57 1.074,58 12.835,59 5.2,60 9.448,61 6.886,62 0.524,63 1.711,64 25.699,65 8.885,66 32.293,67 12.084,68 0.47,69 1.969,70 30.972,71 11.105,72 40.393,73 15.147,74 0.652,75 2.073,76 37.743,77 12.641,78 65.855,79 17.547,80 0.939,81 2.019,82 39.052,83 10.578,84 91.552,85 14.772,86 0.566,87 2.007,88 34.091,89 11.833,90 51.973,91 16.608,92 0.676,93 2.172,94 38.513,95 12.492,96 58.068,97 18.098,98 0.89,99 2.064,100 39.834,101 12.556,102 82.483,103 18.03,104 32,105 63,106 0.254,107 0.639,108 0.823,109 0.874,110 0.874,111 0.874,112 3.668,113 0.863,114 -3.65,115 -3.62,116 -3.45,119 40.9,121 1,124 3,125 3,142 6,143 4,144 4,147 1,150 1,151 1,158 2,161 1,172 7,174 2,175 7,178 5,180 8,183 6,186 2,187 6,190 1,192 5,195 4,199 10,202 4,203 4,204 5,207 2,211 3,212 9,217 2,220 4,223 3,224 7,227 2,229 7,232 4,236 1,237 6,240 3,242 7,245 3,249 4,250 3,253 5,254 2,255 4,258 4,262 2,263 3,268 2,271 6,275 2774,276 25.85,277 25.85,278 25.85,279 25.85,280 25.85,281 23.047,282 41.305,283 14.87,284 26.526,285 21.201,286 21.201,287 21.201,288 21.201,289 21.201,290 16.604,291 70.458,292 6.981,293 22.189,294 4.42,295 1.961,296 0.784,297 0.459,298 0.459,299 0.459,300 4.382,306 1074,307 4.062,310 248.854,311 280.65,314 439.157,318 1.884,319 38.988,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 83,331 483,332 4.579,333 3.793,334 6.778,335 4.18,336 3.208,337 4.503,338 1.989,339 11.097,340 3.151,341 4.494,342 3.668,343 6.721,344 4.162,345 3.187,346 4.143,347 1.081,348 10.943,349 3.083,350 4.468,351 3.253,352 6.54,353 4.026,354 3.063,355 4.126,356 0.86,357 10.351,358 2.94,359 4.026,360 3.147,361 6.141,362 3.714,363 2.763,364 3.354,365 0.835,366 9.034,367 2.624,368 3.674,369 2.862,370 5.595,371 3.352,372 2.387,373 3.044,374 0.543,375 7.253,376 2.301,377 3.579,378 2.784,379 5.375,380 3.195,381 2.249,382 2.896,383 0.473,384 6.815,385 2.128,386 3.515,387 2.467,388 5.272,389 3.115,390 2.197,391 2.796,392 0.4,393 6.606,394 2.013,395 3.358,396 2.431,397 5.047,398 2.932,399 1.943,400 2.619,401 0.4,402 5.708,403 1.935,404 3.239,405 2.392,406 4.914,407 2.882,408 1.921,409 2.499,411 5.318,412 1.815,413 3.106,414 1.998,415 4.807,416 2.806,417 1.853,418 2.26,420 5.307,421 1.755,422 2.952,423 1.967,424 4.534,425 2.603,426 1.64,427 1.988,428 4.559,429 1.571,430 2.663,431 1.76,432 3.982,433 2.181,434 1.182,435 1.694,436 2.924,437 1.177,438 2.606,439 1.358,440 3.882,441 2.112,442 1.153,443 1.653,445 2.804,446 1.103,447 2.314,448 1.312,449 3.761,450 2.069,451 1.087,452 1.231,454 2.72,455 1.059,456 2.239,457 1.185,458 3.7,459 1.936,460 1,461 1.169,463 2.487,464 0.928,465 17.7,466 0.466,467 1.024,468 0.027,469 52,470 1.368,471 25,472 0.658,473 27,474 0.711,475 33.231,476 0.875,477 40.5,478 0.614,479 45.265,480 1.191,481 10.43,482 0.274,483 7.977,484 0.21,485 0.122,487 0.412,493 0.864,494 1.486,495 0.746,496 1.108,497 0.59,498 0.927,499 0.887,500 0.922,501 0.783,502 0.786,503 0.574,504 0.761,505 0.983,506 1.279,507 0.989,508 1.166,509 1.018,510 1.092,511 0.967,512 1.1,513 0.881,514 1.065,515 1.065,516 0.982,517 1.578,518 0.947,519 1.183,520 0.811,521 1.655,522 0.898,523 0.829,524 1.069,525 0.869,526 0.981,527 0.682,528 0.939,529 0.815,530 1.138,531 0.935,532 1.038,533 0.679,534 1.001,535 0.857,536 0.988,537 0.934,538 0.993,539 0.733,540 0.983,541 8,542 0.249,543 4.444,544 3.229,545 2.187,546 1.295,547 1.112,548 0.767,549 0.498,550 0.413,551 22830,552 59364,553 2.143,554 42.4,556 21,557 1,559 4,561 2,564 1.791,565 2,566 3.623,567 1.501,573 107.187,574 1.624,575 4.084,576 5.26,577 5.586,578 5.586,579 5.586,580 3.034,581 5.09,582 5.222,583 3.827,584 2690.7,585 9.219,586 43788.1,591 398.93,592 1.425,593 5.178,594 0.186,595 0.005,596 0.071,597 0.05,598 0.034,599 0.022,600 0.017,601 0.012,602 0.008,603 0.009,604 0.416,605 0.17,606 0.63,607 1.023,608 209.123,609 -0.093,610 -0.261,611 0.056,612 -0.076,613 -0.052,614 0.005,615 0.052,616 0.217,617 0.117,618 0.193,619 0.064,620 0.17,621 -0.042,622 -0.192,623 -0.083,624 -0.162,625 -0.075,626 -0.136,627 0.071,628 -0.092,629 0.094,630 -0.083,631 0.036,632 -0.013,633 -0.267,634 0.085,635 -0.171,636 0.106,637 -0.238,638 0.009,639 0.039,640 -0.023,641 0.067,642 0.019,643 0.049,644 0.04,645 0.059,646 -0.102,647 0.019,648 -0.061,649 0.031,650 -0.028,651 0.179,652 0.008,653 0.062,654 -0.032,655 0.141,656 -0.016,657 1.78,658 5.848,659 0.711,660 39.895,661 1.01,662 1.133,663 2.42,664 5.857,665 0.667,666 3.784,667 4.159,668 4.489,669 4.828,670 5.03,671 5.209,672 5.403,673 5.602,674 5.677,675 5.852,676 7.745,677 0.645,678 512.63,679 3.784,680 5.361,681 6.244,682 7.155,683 8.054,684 8.969,685 9.873,686 10.789,687 11.696,688 12.613,689 12.1,692 1,696 2,697 3,699 2,703 2,704 7,705 2,706 1,709 9,711 22,718 1,724 2,729 1,731 66,733 24,734 2,735 43,737 71,738 27,739 18,740 7,741 5,742 1,746 6,747 9,755 1,758 1,761 20,762 7,766 2,771 2,775 2,781 28,782 10,783 4,784 11,790 8,794 0.5,795 3,806 1,807 1,811 3,812 3,815 3,827 1,836 1,840 3,844 3,848 38,854 4,855 3,856 1,859 2,870 4.5,873 2,875 1,877 19,878 12.883,879 8.167,880 3.754,881 4.56,882 1.499,883 1.034,884 6.434,885 13.69,886 4.043,887 4.684,888 5.306,889 5.937,890 6.444,891 6.821,892 7.258,893 7.727,894 8.031,895 8.496,896 1,897 64,898 14.079,900 6.148,901 7.741,902 26.796,904 22.418,905 2.241,906 85.167,910 282.506,911 143.427,912 110.637,914 61.29,917 143.427,918 343.796,919 110.637,920 27.676,921 29.987,922 65.905,923 94.986,924 92.575,925 15.998,926 270.735,928 282.506,929 254.065,930 61.29,933 258.964,934 84.832,937 89.532,938 130.961,939 33.571,941 282.506,942 171.927,943 143.427,946 282.506,947 49.847,948 99.829,949 70.818,950 94.861,951 282.506,952 171.927,953 143.427,955 0.59,956 0.352,957 0.203,958 0.104,959 33,960 15,961 0.099,962 7,963 3,964 1.222,965 4.694,966 399.865,967 0.222,968 27,969 197.421,974 24.674,975 9.909,976 4.611,977 1.415,978 155.142,979 13.256,980 9.392,981 3.144,984 6.303,986 70.818,987 597.861,988 56,993 25.297,997 -0.072,999 66.632,1000 74.767,1001 0.269,1002 0.676,1003 0.87,1004 0.924,1005 0.924,1006 0.924,1007 5.316,1008 1.943,1009 6.252,1010 6.606,1011 4.844,1012 5.373,1013 2.646,1014 7.117,1015 4.762,1016 6.54,1017 1.921,1018 7.842,1019 5.708,1020 4.511,1021 5.293,1022 1.738,1023 8.097,1024 4.404,1025 7.869,1026 1.853,1027 9.529,1028 5.318,1029 6.491,1030 7.615,1031 3.277,1032 11.23,1033 6.338,1034 9.234,1035 1.64,1036 11.274,1037 5.307,1038 6.976,1039 8.358,1040 3.224,1041 13.038,1042 6.804,1043 10.63,1044 1.182,1045 13.055,1046 4.559,1047 8.432,1048 10.175,1049 4.355,1050 15.683,1051 8.221,1052 12.05,1053 1.153,1054 14.863,1055 2.924,1056 9.286,1057 11.297,1058 4.689,1059 17.831,1060 9.055,1061 13.487,1062 1.087,1063 16.69,1064 2.804,1065 10.544,1066 12.915,1067 5.609,1068 20.308,1069 10.282,1070 3.208,1071 1,1072 18.531,1073 2.72,1074 11.563,1075 14.219,1076 6.118,1077 22.594,1078 11.28,1079 3.187,1080 11.097,1081 20.383,1082 2.487,1083 12.748,1084 15.753,1085 6.93,1086 25.012,1087 12.437,1088 3.063,1089 10.943,1090 22.244,1091 4.503,1092 13.84,1093 17.145,1094 7.524,1095 27.356,1096 13.506,1097 2.763,1098 10.351,1099 24.112,1100 4.143,1101 14.999,1102 18.644,1103 8.278,1104 29.753,1105 14.639,1106 2.387,1107 9.034,1108 25.985,1109 4.126,1110 16.122,1111 20.078,1112 8.915,1113 32.121,1114 15.739,1115 2.249,1116 7.253,1117 27.864,1118 3.354,1119 17.273,1120 21.564,1121 9.639,1122 34.512,1123 16.865,1124 2.197,1125 6.815,1126 29.746,1127 3.044,1128 18.411,1129 23.02,1130 10.3,1131 36.892,1132 17.98,1133 21114,1134 34254,1135 28.956,1136 44.023,1137 65.938,1138 68.087,1139 68.128,1140 65.45,1141 65.525,1142 84.552,1143 13.159,1144 197.128,1145 62.756,1146 5.503,1147 5.793,1148 6.314,1149 5.263,1150 5.208,1151 7.503,1152 3.465,1153 18.227,1154 5.151,1155 19.195,1156 1.533,1157 1.583,1158 1.584,1159 1.522,1160 1.524,1161 1.966,1162 0.306,1163 4.584,1164 1.459,1165 4.126,1166 4.171,1167 4.095,1168 3.996,1169 7.43,1170 4.013,1171 4.008,1172 4.041,1173 3.964,1174 3.913,1175 7.426,1176 3.921,1177 3.979,1178 4.011,1179 3.938,1180 3.876,1181 5.129,1182 3.888,1183 3.68,1184 3.746,1185 3.589,1186 3.456,1187 4.847,1188 3.48,1189 3.501,1190 3.572,1191 3.393,1192 3.293,1193 4.723,1194 3.305,1195 3.414,1196 3.479,1197 3.325,1198 3.203,1199 4.495,1200 3.222,1201 3.334,1202 3.397,1203 3.248,1204 3.097,1205 4.418,1206 3.127,1207 3.186,1208 3.259,1209 3.064,1210 2.96,1211 4.282,1212 2.973,1213 0.106,1214 0.088,1215 0.158,1216 0.097,1217 0.075,1218 4.579,1219 0.105,1220 3.793,1221 0.046,1222 6.778,1223 0.258,1224 4.18,1225 0.073,1226 3.208,1227 4.503,1228 1.989,1229 11.097,1230 3.151,1231 1.925,1232 1.9,1233 2.001,1234 2.061,1235 1.186,1236 2.036,1237 1.888,1238 1.869,1239 1.968,1240 1.983,1241 1.162,1242 1.98,1243 1.765,1244 1.733,1245 1.863,1246 1.909,1247 1.053,1248 1.893,1249 1.637,1250 1.571,1251 1.816,1252 1.879,1253 0.95,1254 1.873,1255 1.468,1256 1.399,1257 1.717,1258 1.697,1259 0.921,1260 1.704,1261 1.449,1262 1.368,1263 1.636,1264 1.69,1265 0.714,1266 1.687,1267 1.362,1268 1.302,1269 1.57,1270 1.653,1271 0.605,1272 1.626,1273 1.225,1274 1.164,1275 1.567,1276 1.525,1277 0.586,1278 1.539,1279 4.466,1281 5.826,1282 3.434,1283 7.37,1284 5.778,1285 9.005,1286 7.861,1287 10.693,1289 5.372,1295 2.227,1296 9.495,1297 5.666,1300 3.672,1305 42.584,1306 107.187,1307 269.527,1308 347.156,1309 368.665,1310 368.665,1311 368.665,1312 64.225,1313 9.13,1314 127.51,1315 127.51,1316 33,1317 13.126,1318 4.644,1319 3.807,1320 52.915,1321 177,1322 179,1323 0.144,1324 256.618,1325 440.59,1326 617.907,1327 143840,1329 26.388,1330 0.694,1331 0.563,1332 26.388,1333 21.383,1334 18.406,1335 0.428,1336 0.288,1337 12.126,1338 17.533,1339 11.794,1340 9.778,1341 18.406,1342 12.363,1343 17.179,1344 0.273,1345 0.153,1346 17.179,1347 9.623,1348 14.697,1349 0.167,1350 0.077,1351 14.697,1352 6.781,1353 13.39,1354 0.108,1355 0.04,1356 13.39,1357 5.02,1358 10.237,1359 0.067,1360 0.021,1361 10.237,1362 3.182,1363 0.225,1364 116.568,1365 0.186,1366 34.051,1367 0.396,1368 212,1369 621.119,1370 235.404,1371 598.473,1372 830.71,1373 562,1374 257,1375 625.551,1376 281.767,1377 634.909,1378 938.45,1379 595,1380 9.097}
{0 CHEMBL521851,1 1.78,2 12.029,3 2.892,4 8.361,5 136.875,6 8.286,7 0.5,8 4.265,9 4.373,10 4.076,11 3.821,12 5.256,13 3.78,14 4.867,15 5.038,16 4.41,17 4.247,18 6.005,19 4.193,20 5.085,21 5.279,22 4.431,23 4.39,24 6.061,25 4.298,26 5.148,27 5.363,28 4.399,29 4.418,30 6.122,31 4.302,32 5.146,33 5.383,34 4.367,35 4.396,36 6.121,37 4.26,38 4.99,39 5.187,40 4.34,41 4.365,42 5.882,43 4.246,44 4.978,45 5.161,46 4.376,47 4.342,48 5.958,49 4.235,50 5.064,51 5.284,52 4.373,53 4.333,54 5.977,55 4.213,56 0.138,57 1.053,58 14.833,59 6.041,60 15.843,61 7.068,62 0.636,63 1.735,64 30.612,65 10.283,66 59.844,67 12.197,68 0.71,69 2.06,70 43.941,71 13.352,72 54.192,73 16.27,74 0.565,75 2.113,76 43.593,77 15.122,78 65.169,79 19.016,80 0.887,81 2.089,82 50.078,83 15.742,84 77.777,85 19.215,86 0.447,87 1.937,88 41.98,89 13.99,90 27.589,91 16.735,92 0.442,93 1.876,94 33.878,95 12.865,96 37.968,97 15.547,98 0.531,99 1.975,100 41.626,101 13.47,102 38.358,103 17.095,104 11,105 59,106 0.282,107 0.603,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.076,114 -2.75,115 -2.76,116 -2.68,119 37.1,124 1,125 9,142 4,143 2,145 1,146 1,147 1,149 1,152 3,168 1,172 4,174 5,175 4,180 2,183 5,186 2,187 11,192 2,195 2,198 1,199 7,204 1,207 1,211 6,212 4,215 2,220 3,223 2,224 4,232 3,236 2,237 5,240 1,242 1,245 2,249 1,250 9,255 1,258 1,262 3,263 2,275 2196,276 23.797,277 23.797,278 23.797,279 23.797,280 23.797,281 21.272,282 24.599,283 13.813,284 24.654,285 19.826,286 19.826,287 19.826,288 19.826,289 19.826,290 15.807,291 35.664,292 6.611,293 21.261,294 4.175,295 2.151,296 1.222,297 0.786,298 0.786,299 0.786,300 4.307,305 1,306 945,307 3.536,310 149.966,311 393.118,314 276.737,318 1.86,319 36.69,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.67,328 1,329 0.71,330 76.5,331 421,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.618,338 0.916,339 11.657,340 3.106,341 4.67,342 3.345,343 6.793,344 4.196,345 3.252,346 4.51,347 0.86,348 11.247,349 3.077,350 4.507,351 3.098,352 6.634,353 4.021,354 3.06,355 4.443,356 0.8,357 10.64,358 2.899,359 3.901,360 3.011,361 5.868,362 3.587,363 2.67,364 3.382,365 0.4,366 8.287,367 2.444,368 3.774,369 2.748,370 5.747,371 3.41,372 2.479,373 3.119,374 0.172,375 7.774,376 2.313,377 3.551,378 2.465,379 5.474,380 3.318,381 2.379,382 2.698,384 7.244,385 2.223,386 3.225,387 2.312,388 4.957,389 2.884,390 1.954,391 2.386,393 5.727,394 1.801,395 3.048,396 2.213,397 4.707,398 2.651,399 1.743,400 2.321,402 4.829,403 1.572,404 3.018,405 1.945,406 4.616,407 2.537,408 1.561,409 2.161,411 4.645,412 1.529,413 2.947,414 1.551,415 4.538,416 2.472,417 1.546,418 2.082,420 4.412,421 1.419,422 2.69,423 1.547,424 4.056,425 2.374,426 1.442,427 1.679,428 3.568,429 1.331,430 2.5,431 1.477,432 3.766,433 2.101,434 1.241,435 1.5,436 2.961,437 1.055,438 2.399,439 1.256,440 3.427,441 1.97,442 1,443 1.386,445 2.275,446 0.968,447 2.032,448 1.146,449 3.414,450 1.967,451 1,452 1,454 2.232,455 0.965,456 2,457 1,458 3.392,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.967,466 0.485,467 0.976,468 0.028,469 44,470 1.257,471 19.5,472 0.557,473 24.5,474 0.7,475 34.932,476 0.998,477 38.233,478 0.617,479 33.767,480 0.965,481 8.183,482 0.234,483 8.77,484 0.251,485 0.069,486 0.049,487 0.306,493 0.656,494 1.477,495 0.755,496 1.185,497 0.629,498 0.973,499 1.053,500 1.012,501 0.947,502 0.842,503 0.575,504 0.802,505 1.163,506 1.101,507 1.174,508 1.089,509 1.061,510 1.003,511 0.92,512 1.152,513 0.95,514 1.029,515 1.121,516 1.043,517 0.851,518 0.783,519 1.102,520 0.917,521 1,522 0.877,523 0.692,524 1.119,525 1.277,526 1.286,527 0.436,528 1.098,529 0.851,530 1.154,531 0.862,532 1.011,533 0.806,534 1.151,535 0.802,536 1.125,537 0.976,538 1.099,539 0.545,540 1.068,541 7.5,542 0.196,543 4,544 2.444,545 1.501,546 1.421,547 0.837,548 0.587,549 0.369,550 0.297,551 18778,552 53154,553 2.184,554 43.5,556 25,558 1,559 1,564 1.771,565 2.069,566 3.527,567 -0.26,573 110.33,574 1.78,575 3.803,576 4.732,577 5.168,578 5.168,579 5.168,580 2.952,581 4.651,582 5.097,583 3.765,584 2240.01,585 8.972,586 34343.3,591 369.16,592 1.437,593 5.068,594 0.188,595 0.006,596 0.068,597 0.042,598 0.027,599 0.026,600 0.015,601 0.011,602 0.007,603 0.007,604 0.398,605 0.33,606 0.63,607 0.597,608 187.789,609 0.082,610 -0.254,611 0.182,612 -0.099,613 -0.092,614 -0.008,615 0.004,616 0.12,617 0.012,618 0.141,619 0.23,620 0.119,621 -0.165,622 -0.034,623 -0.133,624 -0.045,625 -0.105,626 -0.034,627 -0.075,628 -0.163,629 -0.018,630 -0.049,631 -0.092,632 -0.045,633 0.038,634 0.222,635 -0.015,636 0.135,637 -0.064,638 0.129,639 -0.035,640 -0.019,641 -0.161,642 -0.142,643 -0.028,644 -0.072,645 -0.046,646 -0.102,647 -0.032,648 -0.071,649 -0.091,650 -0.182,651 -0.029,652 -0.095,653 0.012,654 -0.092,655 0.01,656 -0.073,657 4.051,658 4.845,659 0.857,660 39.378,661 1.011,662 1.131,663 1.521,664 2.313,665 0.682,666 3.714,667 4.094,668 4.394,669 4.71,670 4.963,671 5.142,672 5.384,673 5.591,674 5.737,675 5.943,676 7.405,677 0.644,678 513.71,679 3.714,680 5.293,681 6.168,682 7.076,683 7.967,684 8.879,685 9.779,686 10.694,687 11.599,688 12.515,689 11.3,692 2,695 1,697 1,699 3,703 4,704 5,705 3,706 1,708 1,709 4,711 20,726 1,731 62,733 22,734 1,735 40,737 67,738 23,739 13,740 3,741 3,746 6,747 8,761 13,762 10,766 2,769 1,771 2,781 27,782 9,783 1,784 12,785 2,790 7,794 0.667,795 3,803 1,806 1,811 2,812 4,815 2,836 1,839 1,840 4,842 2,844 1,848 35,852 1,854 9,856 1,859 3,865 1,870 4.8,873 2,874 1,877 16.917,878 11.45,879 7.333,880 3.711,881 3.989,882 1.457,883 1.04,884 6.23,885 12.708,886 3.97,887 4.64,888 5.227,889 5.887,890 6.436,891 6.916,892 7.469,893 7.993,894 8.352,895 8.832,896 0.875,897 58,898 13.148,900 5.91,901 7.688,902 25.347,904 21.963,905 2.188,906 76.583,910 306.049,911 131.959,912 74.664,914 55.313,916 37.085,917 94.874,918 361.361,919 74.664,920 7.19,921 23.925,922 43.712,923 117.318,924 43.708,925 6.576,926 325.555,928 306.049,929 169.539,930 55.313,931 37.085,933 308.377,934 44.313,935 11,937 56.422,938 60.554,939 56.042,940 31.278,941 306.049,942 129.977,943 131.959,945 5.807,946 306.049,947 72.009,948 61.91,949 16.663,950 105.547,951 306.049,952 129.977,953 131.959,955 0.595,956 0.344,957 0.188,958 0.101,959 32,960 13,961 0.075,962 5,963 2,964 1.133,965 4.541,966 358.098,967 0.133,968 30,969 169.525,970 1,973 1,974 23.255,975 9.376,976 4.681,977 3.976,978 113.314,979 10.012,980 14.245,981 3.03,983 1.727,984 3.802,986 16.663,987 567.985,988 52,991 -3.135,993 23.689,999 62.683,1000 70.108,1001 0.299,1002 0.639,1003 0.795,1004 0.868,1005 0.868,1006 0.868,1007 5.247,1008 1.743,1009 6.188,1010 5.727,1011 4.779,1012 5.328,1013 1.661,1014 7.06,1015 4.645,1016 6.484,1017 1.561,1018 7.785,1019 4.829,1020 4.511,1021 5.421,1022 0.57,1023 8.184,1024 4.306,1025 7.838,1026 1.546,1027 9.491,1028 4.645,1029 6.466,1030 7.679,1031 1.271,1032 11.253,1033 6.211,1034 9.235,1035 1.442,1036 11.262,1037 4.412,1038 7.022,1039 8.616,1040 0.581,1041 13.186,1042 6.699,1043 10.668,1044 1.241,1045 13.076,1046 3.568,1047 8.474,1048 10.396,1049 1.026,1050 15.815,1051 8.101,1052 12.128,1053 1,1054 14.919,1055 2.961,1056 9.382,1057 11.673,1058 0.515,1059 18.05,1060 8.945,1061 13.606,1062 1,1063 16.782,1064 2.275,1065 10.651,1066 13.286,1067 0.841,1068 20.542,1069 10.162,1070 3.314,1071 1,1072 18.661,1073 2.232,1074 11.711,1075 14.701,1076 0.441,1077 22.894,1078 11.16,1079 3.252,1080 11.657,1081 20.551,1082 2.136,1083 12.914,1084 16.252,1085 0.689,1086 25.342,1087 12.308,1088 3.06,1089 11.247,1090 22.451,1091 4.618,1092 14.039,1093 17.723,1094 0.373,1095 27.74,1096 13.372,1097 2.67,1098 10.64,1099 24.358,1100 4.51,1101 15.221,1102 19.25,1103 0.564,1104 30.175,1105 14.497,1106 2.479,1107 8.287,1108 26.27,1109 4.443,1110 16.375,1111 20.745,1112 0.314,1113 32.593,1114 15.591,1115 2.379,1116 7.774,1117 28.188,1118 3.382,1119 17.552,1120 22.264,1121 0.461,1122 35.025,1123 16.709,1124 1.954,1125 7.244,1126 30.109,1127 3.119,1128 18.719,1129 23.769,1130 0.264,1131 37.452,1132 17.816,1133 17221,1134 29135,1135 27.334,1136 42.313,1137 61.554,1138 62.698,1139 61.602,1140 61.525,1141 61.455,1142 79.593,1143 6.298,1144 185.247,1145 57.253,1146 5.743,1147 6.375,1148 6.913,1149 5.389,1150 5.314,1151 7.618,1152 1.776,1153 18.927,1154 5.106,1155 14.402,1156 1.539,1157 1.567,1158 1.54,1159 1.538,1160 1.536,1161 1.99,1162 0.157,1163 4.631,1164 1.431,1165 4.155,1166 4.188,1167 4.722,1168 4.094,1169 7.716,1170 4.073,1171 4.029,1172 4.052,1173 4.339,1174 3.96,1175 6.999,1176 3.935,1177 3.988,1178 3.989,1179 4.056,1180 3.949,1181 5.13,1182 3.828,1183 3.738,1184 3.786,1185 3.665,1186 3.538,1187 4.975,1188 3.545,1189 3.643,1190 3.676,1191 3.591,1192 3.47,1193 4.612,1194 3.45,1195 3.393,1196 3.454,1197 3.417,1198 3.217,1199 4.427,1200 3.229,1201 3.264,1202 3.323,1203 3.2,1204 3.119,1205 4.336,1206 3.118,1207 3.111,1208 3.206,1209 2.949,1210 2.941,1211 4.194,1212 2.91,1213 0.119,1214 0.109,1215 0.178,1216 0.106,1217 0.083,1218 4.743,1219 0.115,1220 4.375,1221 0.023,1222 7.111,1223 0.291,1224 4.248,1225 0.078,1226 3.314,1227 4.618,1228 0.916,1229 11.657,1230 3.106,1231 1.975,1232 1.952,1233 2.038,1234 2.077,1235 1.334,1236 2.069,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.224,1242 2.064,1243 1.791,1244 1.757,1245 1.928,1246 1.964,1247 1.168,1248 1.959,1249 1.63,1250 1.612,1251 1.733,1252 1.8,1253 0.989,1254 1.82,1255 1.576,1256 1.54,1257 1.603,1258 1.746,1259 0.869,1260 1.765,1261 1.402,1262 1.38,1263 1.524,1264 1.619,1265 0.832,1266 1.582,1267 1.307,1268 1.232,1269 1.513,1270 1.508,1271 0.825,1272 1.554,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.394,1281 5.759,1282 3.045,1283 7.311,1284 5.352,1285 8.948,1286 7.424,1287 10.631,1289 1.28,1295 6.219,1297 5.586,1300 6.151,1305 39.936,1306 110.33,1307 235.802,1308 293.386,1309 320.405,1310 320.405,1311 320.405,1312 57.378,1313 8.719,1314 107.55,1315 144.17,1316 34,1317 13.028,1318 4.524,1319 3.7,1320 46.915,1321 156,1322 159,1323 0.147,1324 245.425,1325 407.97,1326 590.598,1327 77748,1329 23.993,1330 0.686,1331 0.603,1332 24.597,1333 21.108,1334 16.954,1335 0.424,1336 0.359,1337 11.704,1338 14.934,1339 11.235,1340 9.148,1341 18.256,1342 14.352,1343 16.324,1344 0.277,1345 0.205,1346 18.353,1347 12.092,1348 13.557,1349 0.169,1350 0.113,1351 15.101,1352 9.029,1353 11.866,1354 0.108,1355 0.061,1356 13.32,1357 6.737,1358 9.633,1359 0.068,1360 0.033,1361 10.894,1362 4.686,1363 0.23,1364 120.258,1365 0.191,1366 31.943,1367 0.409,1368 198,1369 581.131,1370 278.253,1371 594.77,1372 818.88,1373 556,1374 238,1375 570.047,1376 325.557,1377 621.57,1378 914.97,1379 583,1380 8.647}
{0 CHEMBL522031,1 1.647,2 12.469,3 2.866,4 8.215,5 126.204,6 7.47,7 0.444,8 4.226,9 4.344,10 3.836,11 3.734,12 5.242,13 3.703,14 4.809,15 4.997,16 4.213,17 4.155,18 5.77,19 4.096,20 5.054,21 5.272,22 4.266,23 4.304,24 5.952,25 4.202,26 5.098,27 5.349,28 4.232,29 4.333,30 5.921,31 4.195,32 5.091,33 5.332,34 4.273,35 4.344,36 6.01,37 4.202,38 4.999,39 5.201,40 4.238,41 4.314,42 5.921,43 4.191,44 4.952,45 5.162,46 4.145,47 4.243,48 5.855,49 4.126,50 4.999,51 5.231,52 4.075,53 4.19,54 5.887,55 4.067,56 0.054,57 0.945,58 13.983,59 5.759,60 9.916,61 7.461,62 0.38,63 1.572,64 28.562,65 9.341,66 29.017,67 12.45,68 0.594,69 1.905,70 41.158,71 12.106,72 41.734,73 17.115,74 0.317,75 1.929,76 40.195,77 14.153,78 34.317,79 19.699,80 0.619,81 1.921,82 47.772,83 15.034,84 59.519,85 19.233,86 0.484,87 1.844,88 42.484,89 13.492,90 37.875,91 17.135,92 0.306,93 1.711,94 33.968,95 12.261,96 29.493,97 16.619,98 0.427,99 1.699,100 38.615,101 12.264,102 39.724,103 16.522,104 7,105 50,106 0.266,107 0.556,108 0.708,109 0.815,110 0.836,111 0.836,112 3.503,113 0.999,114 -3.09,115 -3.09,116 -2.97,119 37.7,125 11,142 5,143 1,144 1,146 1,147 1,149 1,152 2,172 4,174 2,175 3,180 2,183 5,186 2,187 9,190 1,192 2,195 2,198 1,199 5,204 1,207 1,211 2,212 4,215 2,220 3,223 2,224 4,227 1,232 3,236 1,237 4,240 1,242 1,245 2,249 1,250 4,255 1,258 1,262 3,263 2,268 2,275 1760,276 22.195,277 22.195,278 22.195,279 22.195,280 22.195,281 20.405,282 26.157,283 13.348,284 23.042,285 17.829,286 17.829,287 17.829,288 17.829,289 17.829,290 15.017,291 35.464,292 6.37,293 19.249,294 4.283,295 2.487,296 1.548,297 0.885,298 0.754,299 0.754,300 4.215,304 1,305 1,306 880,307 2.828,310 69.915,311 382.363,314 129.694,318 1.906,319 28.447,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 69.5,331 399,332 4.638,333 3.336,334 6.753,335 4.151,336 3.225,337 4.578,338 0.916,339 11.116,340 2.988,341 4.175,342 3.054,343 6.127,344 3.766,345 2.803,346 3.805,347 0.86,348 9.029,349 2.697,350 3.868,351 2.885,352 5.867,353 3.63,354 2.707,355 3.232,356 0.8,357 8.293,358 2.49,359 3.655,360 2.82,361 5.542,362 3.482,363 2.563,364 2.985,365 0.8,366 7.478,367 2.352,368 3.602,369 2.605,370 5.261,371 3.218,372 2.29,373 2.711,374 0.172,375 6.695,376 2.12,377 3.353,378 2.406,379 5.052,380 3.116,381 2.185,382 2.5,384 6.095,385 2.026,386 3.042,387 2.268,388 4.862,389 2.79,390 1.87,391 2.128,393 5.439,394 1.709,395 3.007,396 1.994,397 4.672,398 2.609,399 1.707,400 2.094,402 4.789,403 1.526,404 2.845,405 1.558,406 4.307,407 2.357,408 1.407,409 1.971,411 3.918,412 1.33,413 2.6,414 1.548,415 3.751,416 2.123,417 1.245,418 1.646,420 2.947,421 1.093,422 2.378,423 1.472,424 3.476,425 2.061,426 1.109,427 1.364,428 2.533,429 1.039,430 2.108,431 1.256,432 3.414,433 2.013,434 1.088,435 1.106,436 2.275,437 0.996,438 2,439 1.146,440 3.39,441 1.967,442 1,443 1,445 2.136,446 0.965,447 2,448 1.117,449 3.247,450 1.952,451 1,452 1,454 1.924,455 0.946,456 1.93,457 0.612,458 3.211,459 1.404,460 0.536,461 0.733,463 1.564,464 0.456,465 15.333,466 0.479,467 0.653,468 0.02,469 37.25,470 1.164,471 15,472 0.469,473 22.25,474 0.695,475 31.731,476 0.992,477 35.667,478 0.585,479 27.525,480 0.86,481 7.207,482 0.225,483 8.484,484 0.265,485 0.043,487 0.307,493 0.97,494 1.497,495 0.786,496 1.089,497 0.933,498 1.004,499 1.245,500 1.02,501 0.934,502 0.815,503 0.779,504 0.858,505 0.972,506 1.116,507 1.083,508 1.06,509 0.803,510 1.006,511 0.598,512 1.077,513 0.797,514 0.946,515 0.561,516 0.962,517 0.813,518 0.908,519 1.26,520 1.064,521 0.851,522 0.878,523 0.906,524 1.125,525 1.452,526 1.353,527 0.908,528 1.139,529 0.698,530 1.223,531 1.015,532 1.18,533 0.599,534 1.162,535 1.022,536 1.075,537 1.119,538 1.125,539 0.957,540 1.09,541 6,542 0.151,543 2.667,544 1.757,545 1.56,546 1.192,547 0.779,548 0.403,549 0.379,550 0.168,551 14511,552 36454,553 2.174,554 47.5,556 27,559 2,564 1.748,565 2.087,566 3.563,567 0.239,569 1,573 100.487,574 1.647,575 3.443,576 4.383,577 5.045,578 5.177,579 5.177,580 3.079,581 4.625,582 4.963,583 3.734,584 1852.09,585 8.708,586 26751.3,591 361.775,592 1.198,593 4.954,594 0.167,595 0.005,596 0.053,597 0.035,598 0.032,599 0.024,600 0.016,601 0.009,602 0.009,603 0.005,604 0.356,605 0.33,606 0.88,607 0.719,608 167.431,609 -0.076,610 -0.276,611 0.073,612 -0.034,613 -0.076,614 0.001,615 -0.177,616 0.14,617 0.022,618 0.162,619 -0.025,620 0.087,621 -0.037,622 -0.034,623 -0.04,624 -0.028,625 -0.024,626 -0.026,627 0.04,628 -0.071,629 0.14,630 0.046,631 0.055,632 0.051,633 0.044,634 0.151,635 0.021,636 0.125,637 0.042,638 0.147,639 -0.052,640 0.016,641 -0.194,642 -0.139,643 -0.107,644 -0.115,645 0.043,646 -0.149,647 -0.067,648 -0.151,649 0.012,650 -0.153,651 -0.094,652 -0.04,653 -0.097,654 -0.111,655 -0.085,656 -0.107,657 1.453,658 3.941,659 0.844,660 36.063,661 1.003,662 1.132,663 1.862,664 3.467,665 0.659,666 3.611,667 3.932,668 4.22,669 4.533,670 4.812,671 4.942,672 5.187,673 5.371,674 5.513,675 5.663,676 7.141,677 0.619,678 455.64,679 3.611,680 5.153,681 6.009,682 6.893,683 7.769,684 8.663,685 9.552,686 10.451,687 11.348,688 12.252,689 8.2,692 2,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,728 1,731 61,733 16,734 1,735 36,737 65,738 23,739 12,740 2,741 4,746 5,747 6,752 1,761 12,762 11,778 1,781 29,782 8,783 2,784 9,785 1,790 5,794 0.8,795 3,796 1,806 1,811 1,812 4,815 1,836 2,838 1,839 1,840 4,842 1,848 32,853 2,854 11,856 1,859 3,865 1,870 4.9,871 1,872 1,874 1,877 15.333,878 10.65,879 7.028,880 3.735,881 2.912,882 1.355,883 0.968,884 6.853,885 11.117,886 3.807,887 4.379,888 4.972,889 5.612,890 6.19,891 6.61,892 7.141,893 7.616,894 7.955,895 8.327,896 1,897 50,898 11.882,900 5.079,901 7.609,902 23.305,904 19.674,905 2.109,906 67.5,909 1,910 317.82,911 116.779,912 42.944,914 96.367,916 31.278,917 85.501,918 414.186,919 42.944,921 26.03,922 90.065,923 87.254,924 17.031,925 4.432,926 349.097,928 317.82,929 128.445,930 96.367,931 31.278,933 320.148,934 42.683,935 53.683,937 34.423,938 58.123,939 33.571,940 31.278,941 317.82,942 139.311,943 116.779,946 317.82,947 69.398,948 56.754,950 129.938,951 317.82,952 139.311,953 116.779,955 0.573,956 0.331,957 0.188,958 0.108,959 25,960 10,961 0.092,962 6,963 1,964 1.074,965 4.366,966 303.558,967 0.074,968 27,969 152,970 1,974 21.985,975 9.975,976 5.076,977 2.073,978 139.311,979 9.32,980 9.809,983 1.777,984 3.907,986 85.367,987 573.909,988 44,999 61.171,1000 69.022,1001 0.278,1002 0.581,1003 0.739,1004 0.851,1005 0.873,1006 0.873,1007 5.056,1008 1.707,1009 5.979,1010 5.439,1011 4.615,1012 5.066,1013 1.775,1014 6.781,1015 4.467,1016 6.229,1017 1.407,1018 7.521,1019 4.789,1020 4.111,1021 4.844,1022 0.766,1023 7.618,1024 3.88,1025 7.522,1026 1.245,1027 9.162,1028 3.918,1029 6.192,1030 7.241,1031 1.379,1032 10.746,1033 5.908,1034 8.852,1035 1.109,1036 10.862,1037 2.947,1038 6.524,1039 7.916,1040 0.74,1041 12.445,1042 6.153,1043 10.219,1044 1.088,1045 12.601,1046 2.533,1047 8.047,1048 9.787,1049 1.116,1050 15.079,1051 7.628,1052 11.613,1053 1,1054 14.369,1055 2.275,1056 8.783,1057 10.895,1058 0.632,1059 17.159,1060 8.278,1061 13.029,1062 1,1063 16.158,1064 2.136,1065 10.071,1066 12.551,1067 0.91,1068 19.626,1069 9.512,1070 3.225,1071 0.536,1072 17.964,1073 1.924,1074 11.012,1075 13.873,1076 0.524,1077 21.88,1078 10.37,1079 2.803,1080 11.116,1081 19.783,1082 1.564,1083 12.202,1084 15.439,1085 0.742,1086 24.293,1087 11.5,1088 2.707,1089 9.029,1090 21.615,1091 4.578,1092 13.247,1093 16.863,1094 0.43,1095 26.626,1096 12.462,1097 2.563,1098 8.293,1099 23.456,1100 3.805,1101 14.402,1102 18.395,1103 0.603,1104 29.025,1105 13.551,1106 2.29,1107 7.478,1108 25.305,1109 3.232,1110 15.499,1111 19.867,1112 0.353,1113 31.396,1114 14.567,1115 2.185,1116 6.695,1117 27.162,1118 2.985,1119 16.645,1120 21.386,1121 0.489,1122 33.793,1123 15.642,1124 1.87,1125 6.095,1126 29.025,1127 2.711,1128 17.77,1129 22.881,1130 0.29,1131 36.181,1132 16.687,1133 13576,1134 21659,1135 24.849,1136 40.176,1137 53.774,1138 54.172,1139 54.732,1140 53.825,1141 53.761,1142 66.014,1143 7.098,1144 153.108,1145 49.734,1146 5.638,1147 5.336,1148 6.555,1149 5.291,1150 5.225,1151 7.578,1152 1.776,1153 18.361,1154 4.988,1155 11.213,1156 1.494,1157 1.505,1158 1.52,1159 1.495,1160 1.493,1161 1.834,1162 0.197,1163 4.253,1164 1.381,1165 4.102,1166 4.127,1167 4.338,1168 4.071,1169 6.471,1170 4.031,1171 3.872,1172 3.925,1173 3.857,1174 3.817,1175 6.456,1176 3.803,1177 3.83,1178 3.872,1179 3.726,1180 3.634,1181 5.04,1182 3.645,1183 3.726,1184 3.775,1185 3.643,1186 3.525,1187 4.616,1188 3.534,1189 3.47,1190 3.538,1191 3.372,1192 3.251,1193 4.582,1194 3.261,1195 3.289,1196 3.34,1197 3.263,1198 3.127,1199 4.389,1200 3.125,1201 3.111,1202 3.206,1203 2.946,1204 2.941,1205 4.222,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.966,1212 2.91,1213 0.129,1214 0.093,1215 0.188,1216 0.115,1217 0.09,1218 4.638,1219 0.127,1220 3.336,1221 0.025,1222 6.753,1223 0.309,1224 4.151,1225 0.083,1226 3.225,1227 4.578,1228 0.916,1229 11.116,1230 2.988,1231 1.937,1232 1.912,1233 2.015,1234 2.062,1235 1.331,1236 2.047,1237 1.804,1238 1.741,1239 2.001,1240 2.027,1241 1.218,1242 2.027,1243 1.773,1244 1.736,1245 1.924,1246 1.943,1247 1.081,1248 1.942,1249 1.6,1250 1.554,1251 1.751,1252 1.777,1253 1.004,1254 1.769,1255 1.515,1256 1.484,1257 1.685,1258 1.706,1259 0.865,1260 1.716,1261 1.343,1262 1.288,1263 1.514,1264 1.51,1265 0.841,1266 1.548,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.29,1281 5.609,1282 2.398,1283 7.125,1284 4.727,1285 8.731,1286 6.843,1287 10.386,1294 19.103,1295 8.892,1297 5.555,1300 7.065,1305 37.76,1306 100.487,1307 210.042,1308 267.353,1309 307.775,1310 315.775,1311 315.775,1312 47.568,1313 8.205,1314 85.19,1315 113.43,1316 29,1317 12.773,1318 4.087,1319 3.17,1320 45.558,1321 137,1322 176,1323 0.164,1324 231.027,1325 393.36,1326 555.465,1327 41286,1329 21.916,1330 0.685,1331 0.592,1332 22.269,1333 18.928,1334 15.691,1335 0.436,1336 0.333,1337 11.049,1338 14.514,1339 10.799,1340 8.785,1341 16.099,1342 11.992,1343 13.998,1344 0.28,1345 0.189,1346 14.64,1347 9.426,1348 11.806,1349 0.176,1350 0.107,1351 12.594,1352 7.185,1353 10.308,1354 0.112,1355 0.06,1356 11.246,1357 5.494,1358 8.682,1359 0.071,1360 0.033,1361 9.575,1362 4,1363 0.256,1364 103.129,1365 0.201,1366 29.826,1367 0.455,1368 172,1369 477.121,1370 214.841,1371 473.117,1372 650.21,1373 448,1374 203,1375 455.601,1376 246.023,1377 474.716,1378 704.97,1379 448,1380 8.155}
{0 CHEMBL522892,1 1.644,2 11.483,3 1.782,4 3.174,5 110.583,6 7.85,7 0.485,8 4.047,9 4.179,10 3.661,11 3.564,12 5.18,13 3.569,14 4.589,15 4.768,16 4.07,17 3.99,18 5.696,19 3.982,20 4.85,21 5.047,22 4.167,23 4.158,24 5.955,25 4.124,26 4.961,27 5.19,28 4.158,29 4.149,30 6.204,31 4.082,32 4.929,33 5.188,34 3.955,35 4.015,36 6.03,37 3.953,38 4.683,39 4.915,40 3.899,41 3.876,42 5.946,43 3.823,44 4.553,45 4.765,46 3.733,47 3.765,48 5.709,49 3.722,50 4.466,51 4.715,52 3.529,53 3.669,54 5.461,55 3.571,56 0.083,57 0.886,58 9.549,59 4.013,60 10.718,61 5.212,62 0.281,63 1.433,64 18.687,65 6.802,66 20.524,67 9.196,68 0.356,69 1.774,70 25.624,71 9.239,72 34.54,73 12.309,74 0.681,75 1.867,76 31.032,77 11.103,78 85.154,79 15.394,80 0.638,81 1.665,82 33.013,83 9.809,84 82.244,85 13.475,86 0.542,87 1.369,88 23.953,89 7.844,90 79.087,91 11.245,92 0.377,93 1.246,94 19.966,95 6.256,96 44.302,97 8.334,98 0.342,99 1.077,100 19.425,101 6.969,102 30.263,103 9.759,104 17,105 49,106 0.274,107 0.65,108 0.766,109 0.845,110 0.851,111 0.851,112 3.409,113 0.868,114 -3.23,115 -3.22,116 -3.09,119 42,124 1,125 4,136 1,138 1,142 6,143 1,144 3,146 1,152 1,158 1,161 1,163 1,164 1,165 1,172 3,175 5,178 2,180 7,183 5,185 2,186 1,187 2,192 3,195 2,198 2,199 4,201 2,202 4,203 3,204 4,206 2,207 4,209 2,212 3,215 1,217 1,220 2,222 1,224 7,229 6,232 2,234 2,236 1,237 2,242 3,245 1,247 1,249 1,250 1,252 1,253 3,258 4,263 1,271 4,275 1256,276 19.602,277 19.602,278 19.602,279 19.602,280 19.602,281 17.385,282 24.416,283 11.161,284 20.029,285 16.271,286 16.271,287 16.271,288 16.271,289 16.271,290 12.814,291 38.408,292 5.297,293 16.992,294 4,295 1.741,296 1.045,297 0.575,298 0.535,299 0.535,300 4.117,304 1,305 1,306 743,307 2.449,310 55.207,311 299.019,314 103.645,315 121.954,318 1.812,319 34.854,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63.5,331 333,332 4.69,333 3.682,334 6.995,335 4.293,336 3.315,337 4.499,338 1.058,339 11.831,340 3.24,341 4.463,342 3.195,343 6.446,344 3.999,345 3.039,346 4.229,347 0.8,348 10.011,349 2.917,350 4.083,351 3.178,352 6.242,353 3.746,354 2.798,355 3.582,356 0.8,357 9.293,358 2.663,359 3.877,360 2.928,361 5.995,362 3.545,363 2.576,364 3.213,366 8.506,367 2.476,368 3.438,369 2.619,370 5.245,371 3.198,372 2.272,373 2.657,375 6.296,376 2.104,377 3.362,378 2.456,379 5.046,380 3.062,381 2.103,382 2.443,384 6.089,385 2.009,386 3.138,387 2.337,388 4.921,389 2.728,390 1.774,391 2.342,393 5.143,394 1.682,395 3.102,396 1.867,397 4.76,398 2.649,399 1.676,400 2.278,402 4.751,403 1.612,404 3.005,405 1.568,406 4.467,407 2.487,408 1.526,409 2.207,411 4.417,412 1.464,413 2.699,414 1.502,415 4.256,416 2.341,417 1.38,418 1.738,420 3.83,421 1.321,422 2.593,423 1.272,424 3.808,425 2.151,426 1.179,427 1.604,428 2.795,429 1.14,430 2,431 1.146,432 3.414,433 1.967,434 1,435 1,436 2.275,437 0.965,438 1.897,439 0.818,440 3.213,441 1.38,442 0.433,443 0.624,445 1.12,446 0.409,447 1.465,448 0.457,449 3.162,450 1.051,451 0.076,452 0.094,454 0.213,455 0.073,456 1.178,457 0.275,458 2.854,459 0.878,460 -0.092,461 -0.11,463 -0.243,464 -0.087,465 13.519,466 0.466,467 0.836,468 0.029,469 38.25,470 1.319,471 18,472 0.621,473 20.25,474 0.698,475 23.671,476 0.816,477 30.881,478 0.618,479 30.221,480 1.042,481 7.694,482 0.265,483 6.314,484 0.218,485 0.112,487 0.429,491 1,493 0.761,494 1.227,495 0.733,496 1.004,497 0.603,498 0.876,499 0.78,500 1.051,501 0.767,502 0.88,503 0.511,504 0.817,505 0.982,506 1.14,507 0.96,508 1.062,509 0.839,510 1.01,511 0.611,512 0.966,513 0.877,514 1.122,515 0.682,516 1.081,517 1.312,518 0.92,519 1.016,520 0.822,521 1.372,522 0.845,523 0.677,524 0.932,525 0.807,526 0.966,527 0.623,528 0.921,529 1.293,530 1.065,531 1.203,532 1.03,533 1.22,534 1.073,535 0.62,536 0.818,537 0.918,538 0.979,539 0.604,540 1.009,541 6,542 0.157,543 3.778,544 2.854,545 2.049,546 1.487,547 0.535,548 0.575,549 0.277,550 0.221,551 11120,552 28665,553 2.15,554 42,556 17,559 4,564 1.719,565 2,566 3.45,567 1.663,568 1,569 1,573 82.206,574 1.644,575 3.902,576 4.599,577 5.069,578 5.109,579 5.109,580 2.935,581 4.72,582 4.828,583 3.607,584 1464.55,585 8.406,586 19174.4,588 1,590 1,591 282.193,592 1.44,593 4.786,594 0.182,595 0.008,596 0.077,597 0.055,598 0.043,599 0.037,600 0.014,601 0.018,602 0.011,603 0.009,604 0.453,605 0.33,606 0.88,607 0.562,608 146.101,609 -0.096,610 -0.139,611 0.038,612 0.001,613 -0.069,614 0.043,615 -0.023,616 -0.02,617 0.087,618 0.091,619 0.054,620 0.113,621 -0.106,622 -0.115,623 -0.058,624 -0.079,625 -0.032,626 -0.059,627 0.307,628 0.001,629 0.088,630 -0.136,631 0.247,632 -0.096,633 -0.166,634 0.035,635 0.03,636 0.131,637 -0.15,638 0.13,639 0.239,640 -0.01,641 0.168,642 0.011,643 0.297,644 0.064,645 -0.238,646 -0.055,647 -0.253,648 -0.098,649 -0.183,650 -0.158,651 0.117,652 0.063,653 0.046,654 0.016,655 0.046,656 0.01,657 2.147,658 6.324,659 0.862,660 26.894,661 1.01,662 1.137,663 1.995,664 3.981,665 0.67,666 3.526,667 3.912,668 4.248,669 4.575,670 4.828,671 4.997,672 5.142,673 5.333,674 5.489,675 5.62,676 6.538,677 0.649,678 392.48,679 3.526,680 5.106,681 5.994,682 6.907,683 7.808,684 8.726,685 9.633,686 10.554,687 11.465,688 12.388,689 12,690 1,692 1,695 1,696 1,697 1,699 1,703 2,704 6,705 1,706 1,709 5,711 16,726 1,730 1,731 50,733 18,734 2,735 33,737 54,738 21,739 13,740 6,741 6,742 3,746 5,747 7,761 16,762 5,766 2,771 1,775 3,778 1,779 1,781 21,782 7,783 4,784 8,787 1,790 6,794 0.6,795 1,811 1,812 4,815 1,816 1,826 1,831 1,832 1,833 1,836 1,840 3,844 1,846 1,848 29,849 1,854 4,855 1,859 2,869 1,870 2,873 1,877 14.5,878 9.243,879 6.139,880 2.932,881 3.689,882 1.442,883 1.063,884 4.391,885 12.036,886 3.784,887 4.44,888 5.082,889 5.729,890 6.287,891 6.742,892 7.2,893 7.687,894 8.056,895 8.444,896 0.875,897 52,898 10.802,900 4.855,901 7.833,902 20.45,904 17.485,905 2.333,906 67.667,910 200.109,911 108.76,912 90.728,914 25.145,915 14.96,917 108.76,918 225.254,919 105.688,920 8.396,921 59.331,922 56.857,923 51.72,924 46.184,925 17.104,926 200.109,928 200.109,929 199.488,930 40.105,933 215.069,934 25.145,937 83.713,938 96.233,939 19.542,941 215.069,942 115.873,943 108.76,946 200.109,947 43.506,948 71.502,949 34.796,950 89.788,951 200.109,952 130.833,953 108.76,955 0.599,956 0.361,957 0.201,958 0.108,959 27,960 12,961 0.037,962 2,963 2,964 1.16,965 4.005,966 275.871,967 0.16,968 25,969 136.881,974 18.311,975 6.954,976 3.117,977 1.536,978 114.047,979 10.484,980 4.596,981 3.155,984 1.505,986 67.693,987 439.701,988 43,993 12.657,997 -0.168,999 50.52,1000 56.861,1001 0.291,1002 0.691,1003 0.815,1004 0.898,1005 0.905,1006 0.905,1007 5.063,1008 1.676,1009 6.009,1010 5.143,1011 4.595,1012 5.127,1013 1.641,1014 6.882,1015 4.513,1016 6.295,1017 1.526,1018 7.607,1019 4.751,1020 4.29,1021 5.056,1022 0.57,1023 7.883,1024 4.163,1025 7.631,1026 1.38,1027 9.304,1028 4.417,1029 6.252,1030 7.387,1031 1.488,1032 11.026,1033 6.098,1034 9.002,1035 1.179,1036 11.057,1037 3.83,1038 6.746,1039 8.139,1040 0.479,1041 12.854,1042 6.557,1043 10.406,1044 1,1045 12.847,1046 2.795,1047 8.203,1048 9.969,1049 1.47,1050 15.525,1051 7.989,1052 11.834,1053 0.433,1054 14.664,1055 2.275,1056 9.062,1057 11.106,1058 0.346,1059 17.7,1060 8.82,1061 13.28,1062 0.076,1063 16.5,1064 1.12,1065 10.328,1066 12.733,1067 1.501,1068 20.213,1069 10.062,1070 3.315,1071 -0.092,1072 18.351,1073 0.213,1074 11.355,1075 14.053,1076 0.237,1077 22.539,1078 11.065,1079 3.039,1080 11.831,1081 20.214,1082 -0.243,1083 12.551,1084 15.595,1085 1.556,1086 25.002,1087 12.238,1088 2.798,1089 10.011,1090 22.088,1091 4.499,1092 13.654,1093 17.001,1094 0.158,1095 27.396,1096 13.32,1097 2.576,1098 9.293,1099 23.969,1100 4.229,1101 14.827,1102 18.508,1103 1.626,1104 29.847,1105 14.472,1106 2.272,1107 8.506,1108 25.857,1109 3.582,1110 15.967,1111 19.955,1112 0.104,1113 32.273,1114 15.591,1115 2.103,1116 6.296,1117 27.751,1118 3.213,1119 17.137,1120 21.448,1121 1.706,1122 34.725,1123 16.739,1124 1.774,1125 6.089,1126 29.651,1127 2.657,1128 18.295,1129 22.915,1130 0.068,1131 37.169,1132 17.877,1133 10284,1134 16738,1135 22.194,1136 33.517,1137 51.138,1138 51.771,1139 52.791,1140 50.383,1141 50.292,1142 65.019,1143 5.317,1144 153.142,1145 48.149,1146 5.69,1147 5.682,1148 6.531,1149 5.36,1150 5.315,1151 7.499,1152 2.117,1153 19.431,1154 5.24,1155 13.884,1156 1.55,1157 1.569,1158 1.6,1159 1.527,1160 1.524,1161 1.97,1162 0.161,1163 4.641,1164 1.459,1165 4.142,1166 4.182,1167 4.114,1168 4.023,1169 8.201,1170 4.041,1171 3.966,1172 3.995,1173 3.933,1174 3.88,1175 7.429,1176 3.888,1177 3.807,1178 3.884,1179 3.701,1180 3.604,1181 5.118,1182 3.618,1183 3.546,1184 3.581,1185 3.49,1186 3.428,1187 4.989,1188 3.437,1189 3.311,1190 3.385,1191 3.229,1192 3.088,1193 4.603,1194 3.113,1195 3.132,1196 3.213,1197 3.042,1198 2.941,1199 4.447,1200 2.91,1201 3.111,1202 3.206,1203 2.899,1204 2.878,1205 4.228,1206 2.9,1207 3.081,1208 3.179,1209 2.866,1210 2.855,1211 3.915,1212 2.859,1213 0.142,1214 0.112,1215 0.212,1216 0.13,1217 0.1,1218 4.69,1219 0.136,1220 3.682,1221 0.032,1222 6.995,1223 0.359,1224 4.293,1225 0.098,1226 3.315,1227 4.499,1228 1.058,1229 11.831,1230 3.24,1231 1.959,1232 1.938,1233 2.047,1234 2.078,1235 1.307,1236 2.072,1237 1.938,1238 1.905,1239 2.02,1240 2.066,1241 1.151,1242 2.053,1243 1.716,1244 1.645,1245 1.909,1246 1.915,1247 1.081,1248 1.918,1249 1.568,1250 1.536,1251 1.657,1252 1.735,1253 0.825,1254 1.715,1255 1.206,1256 1.125,1257 1.539,1258 1.489,1259 0.724,1260 1.5,1261 1.153,1262 1.064,1263 1.513,1264 1.418,1265 0.641,1266 1.429,1267 1.131,1268 1.048,1269 1.321,1270 1.376,1271 0.343,1272 1.402,1273 0.997,1274 0.934,1275 1.209,1276 1.35,1277 0.235,1278 1.315,1279 4.205,1281 5.572,1282 2.398,1283 7.14,1284 4.727,1285 8.801,1286 6.843,1287 10.511,1289 2.12,1291 14.324,1293 6.201,1295 3.933,1296 2.702,1300 4.621,1305 32.441,1306 82.206,1307 195.12,1308 229.928,1309 253.438,1310 255.438,1311 255.438,1312 52.812,1313 8.346,1314 94.04,1315 94.04,1316 29,1317 12.897,1318 4.248,1319 3.459,1320 39.68,1321 114,1322 129,1323 0.172,1324 194.856,1325 334.46,1326 467.209,1327 51388,1328 2,1329 20.121,1330 0.694,1331 0.552,1332 19.25,1333 15.998,1334 14.008,1335 0.424,1336 0.289,1337 9.385,1338 13.4,1339 9.199,1340 7.556,1341 13.597,1342 9.547,1343 13.24,1344 0.27,1345 0.153,1346 12.703,1347 7.482,1348 11.645,1349 0.169,1350 0.081,1351 11.245,1352 5.599,1353 10.413,1354 0.108,1355 0.041,1356 9.889,1357 3.943,1358 8.199,1359 0.066,1360 0.022,1361 8.059,1362 2.758,1363 0.269,1364 88.277,1365 0.212,1366 27.297,1367 0.478,1368 164,1369 498.76,1370 181.452,1371 462.218,1372 636.03,1373 432,1374 200,1375 477.716,1376 218.558,1377 479.455,1378 712.37,1379 452,1380 5}
{0 CHEMBL523379,1 1.621,2 10.9,3 3.406,4 11.597,5 119.912,6 7.467,7 0.471,8 4.158,9 4.278,10 3.78,11 3.685,12 5.152,13 3.648,14 4.744,15 4.938,16 4.167,17 4.108,18 5.682,19 4.047,20 4.97,21 5.18,22 4.21,23 4.254,24 5.861,25 4.149,26 5.037,27 5.298,28 4.153,29 4.263,30 5.842,31 4.116,32 4.955,33 5.198,34 4.2,35 4.258,36 5.847,37 4.114,38 4.844,39 5.019,40 4.188,41 4.251,42 5.765,43 4.132,44 4.894,45 5.101,46 4.102,47 4.197,48 5.803,49 4.079,50 4.927,51 5.158,52 3.983,53 4.125,54 5.798,55 4,56 0.022,57 0.895,58 12.994,59 5.369,60 7.545,61 7.02,62 0.328,63 1.498,64 26.898,65 8.745,66 23.94,67 11.677,68 0.438,69 1.803,70 37.61,71 11.454,72 32.458,73 15.936,74 0.275,75 1.822,76 38.439,77 13.479,78 32.704,79 18.729,80 0.505,81 1.752,82 42.603,83 13.505,84 46.074,85 17.135,86 0.275,87 1.688,88 36.174,89 12.094,90 22.433,91 14.974,92 0.265,93 1.634,94 32.083,95 11.653,96 28.506,97 15.659,98 0.347,99 1.615,100 36.206,101 11.51,102 31.841,103 15.435,104 5,105 48,106 0.265,107 0.562,108 0.721,109 0.798,110 0.821,111 0.821,112 3.441,113 0.998,114 -3.63,115 -3.6,116 -3.43,119 38.6,124 1,125 9,142 5,143 1,144 1,146 1,147 1,149 1,152 2,172 4,174 2,175 3,180 2,183 5,186 2,187 9,192 2,195 2,198 1,199 5,204 1,207 1,211 2,212 4,215 2,220 3,223 2,224 4,232 3,236 1,237 4,240 1,242 1,245 2,249 1,250 4,255 1,258 1,262 3,263 2,275 1444,276 20.618,277 20.618,278 20.618,279 20.618,280 20.618,281 18.828,282 25.266,283 12.245,284 21.423,285 16.863,286 16.863,287 16.863,288 16.863,289 16.863,290 14.052,291 34.468,292 5.936,293 18.201,294 4.212,295 2.403,296 1.428,297 0.961,298 0.82,299 0.82,300 4.154,304 1,305 1,306 726,307 2.449,310 63.105,311 347.168,314 116.581,318 1.653,319 22.782,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 64.5,331 327,332 4.638,333 3.336,334 6.753,335 4.151,336 3.225,337 4.578,338 0.916,339 11.116,340 2.988,341 4.175,342 3.039,343 6.127,344 3.766,345 2.802,346 3.805,347 0.86,348 9.029,349 2.697,350 3.867,351 2.884,352 5.866,353 3.616,354 2.694,355 3.232,356 0.8,357 8.29,358 2.475,359 3.637,360 2.782,361 5.505,362 3.454,363 2.534,364 2.985,365 0.8,366 7.353,367 2.328,368 3.586,369 2.551,370 5.088,371 3.193,372 2.259,373 2.696,374 0.172,375 6.208,376 2.104,377 3.302,378 2.392,379 5.032,380 3.058,381 2.133,382 2.447,384 5.979,385 1.965,386 3.014,387 2.261,388 4.778,389 2.76,390 1.846,391 2.117,393 5.257,394 1.68,395 2.971,396 1.978,397 4.666,398 2.596,399 1.696,400 2.054,402 4.784,403 1.511,404 2.835,405 1.548,406 4.306,407 2.354,408 1.404,409 1.932,411 3.915,412 1.328,413 2.599,414 1.475,415 3.751,416 2.123,417 1.245,418 1.645,420 2.947,421 1.092,422 2.378,423 1.256,424 3.476,425 2.058,426 1.096,427 1.364,428 2.533,429 1.037,430 2,431 1.146,432 3.414,433 1.967,434 1,435 1,436 2.275,437 0.965,438 2,439 1.117,440 3.39,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.93,448 0.612,449 3.247,450 1.404,451 0.536,452 0.733,454 1.566,455 0.456,456 1.265,457 0.382,458 2.944,459 1.11,460 0.167,461 0.177,463 0.408,464 0.156,465 14.5,466 0.483,467 0.691,468 0.023,469 36,470 1.2,471 15,472 0.5,473 21,474 0.7,475 28.763,476 0.959,477 32.9,478 0.577,479 25.833,480 0.861,481 6.913,482 0.23,483 7.74,484 0.258,485 0.057,487 0.324,493 0.943,494 1.506,495 0.771,496 1.088,497 0.894,498 1.003,499 1.324,500 0.943,501 0.901,502 0.751,503 0.713,504 0.793,505 1.051,506 1.192,507 1.121,508 1.141,509 0.909,510 1.067,511 0.628,512 1.027,513 0.776,514 0.893,515 0.657,516 0.911,517 0.719,518 0.851,519 1.282,520 1.039,521 0.646,522 0.815,523 0.873,524 1.267,525 1.574,526 1.536,527 0.824,528 1.256,529 0.789,530 1.216,531 1.029,532 1.177,533 0.784,534 1.158,535 1.102,536 1.114,537 1.187,538 1.193,539 1.102,540 1.134,541 6,542 0.131,543 2.667,544 1.757,545 1.52,546 1.101,547 0.739,548 0.403,549 0.379,550 0.143,551 11953,552 27856,553 2.186,554 47.4,556 26,559 1,564 1.734,565 2.093,566 3.408,567 -0.316,569 1,573 92.376,574 1.621,575 3.43,576 4.405,577 4.872,578 5.013,579 5.013,580 2.886,581 4.348,582 4.873,583 3.565,584 1550.76,585 8.536,586 21142.6,588 1,591 332.475,592 1.231,593 4.859,594 0.176,595 0.005,596 0.056,597 0.037,598 0.035,599 0.023,600 0.016,601 0.009,602 0.01,603 0.005,604 0.373,605 0.33,606 0.88,607 0.424,608 152.492,609 -0.037,610 -0.305,611 0.088,612 -0.06,613 -0.042,614 -0.013,615 -0.165,616 0.206,617 0.061,618 0.208,619 0.044,620 0.14,621 -0.055,622 -0.111,623 -0.072,624 -0.103,625 -0.027,626 -0.091,627 0.055,628 -0.051,629 0.174,630 0.088,631 0.074,632 0.093,633 0.108,634 0.228,635 0.055,636 0.178,637 0.159,638 0.212,639 -0.062,640 -0.077,641 -0.271,642 -0.272,643 -0.117,644 -0.226,645 0.056,646 -0.161,647 -0.073,648 -0.161,649 0.021,650 -0.163,651 -0.096,652 -0.081,653 -0.158,654 -0.186,655 -0.096,656 -0.161,657 1.44,658 3.921,659 0.9,660 31.009,661 0.999,662 1.13,663 2.395,664 5.738,665 0.666,666 3.555,667 3.892,668 4.174,669 4.489,670 4.779,671 4.898,672 5.142,673 5.333,674 5.481,675 5.62,676 6.498,677 0.623,678 425.61,679 3.555,680 5.106,681 5.964,682 6.851,683 7.73,684 8.626,685 9.516,686 10.418,687 11.316,688 12.221,689 8.8,692 2,695 1,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,728 1,731 57,733 16,734 1,735 34,737 61,738 22,739 12,740 2,741 4,746 5,747 6,761 12,762 10,778 1,781 27,782 7,783 1,784 8,785 1,790 5,794 0.8,795 2,806 1,811 1,812 4,815 1,836 2,839 1,840 4,842 1,844 1,848 30,853 1,854 9,856 1,859 3,865 1,870 3.5,872 1,874 1,877 14.333,878 10.45,879 6.444,880 3.485,881 2.93,882 1.364,883 0.993,884 5.873,885 10.978,886 3.761,887 4.353,888 4.951,889 5.598,890 6.182,891 6.602,892 7.135,893 7.611,894 7.95,895 8.319,896 1,897 47,898 11.136,900 4.765,901 7.517,902 21.971,904 18.597,905 2.017,906 60.5,909 1,910 306.049,911 123.07,912 42.944,914 53.683,916 31.278,917 91.792,918 359.732,919 42.944,920 8.396,921 23.925,922 47.381,923 87.254,924 17.031,925 4.432,926 337.326,928 306.049,929 134.736,930 53.683,931 31.278,933 308.377,934 42.683,935 11,937 32.317,938 66.52,939 33.571,940 31.278,941 306.049,942 96.627,943 123.07,946 306.049,947 67.292,948 65.151,950 87.254,951 306.049,952 96.627,953 123.07,955 0.582,956 0.332,957 0.185,958 0.109,959 25,960 10,961 0.066,962 4,963 1,964 1.074,965 4.176,966 282.241,967 0.074,968 27,969 139.207,970 1,974 20.13,975 8.752,976 4.474,977 2.129,978 96.627,979 9.391,980 9.816,983 1.807,984 4.023,986 42.683,987 525.746,988 42,999 56.96,1000 64.398,1001 0.278,1002 0.588,1003 0.755,1004 0.835,1005 0.859,1006 0.859,1007 5.017,1008 1.696,1009 5.943,1010 5.257,1011 4.575,1012 5.04,1013 1.775,1014 6.749,1015 4.427,1016 6.201,1017 1.404,1018 7.489,1019 4.784,1020 4.111,1021 4.844,1022 0.766,1023 7.591,1024 3.88,1025 7.499,1026 1.245,1027 9.133,1028 3.915,1029 6.159,1030 7.23,1031 1.379,1032 10.718,1033 5.876,1034 8.833,1035 1.096,1036 10.834,1037 2.947,1038 6.509,1039 7.912,1040 0.74,1041 12.42,1042 6.139,1043 10.203,1044 1,1045 12.575,1046 2.533,1047 8.019,1048 9.782,1049 1.116,1050 15.059,1051 7.601,1052 11.598,1053 1,1054 14.343,1055 2.275,1056 8.764,1057 10.893,1058 0.632,1059 17.143,1060 8.261,1061 13.016,1062 0.536,1063 16.133,1064 2.136,1065 10.047,1066 12.549,1067 0.91,1068 19.614,1069 9.491,1070 3.225,1071 0.167,1072 17.941,1073 1.566,1074 10.993,1075 13.872,1076 0.524,1077 21.872,1078 10.353,1079 2.802,1080 11.116,1081 19.762,1082 0.408,1083 12.183,1084 15.438,1085 0.742,1086 24.287,1087 11.483,1088 2.694,1089 9.029,1090 21.595,1091 4.578,1092 13.231,1093 16.863,1094 0.43,1095 26.622,1096 12.448,1097 2.534,1098 8.29,1099 23.438,1100 3.805,1101 14.386,1102 18.394,1103 0.603,1104 29.023,1105 13.538,1106 2.259,1107 7.353,1108 25.29,1109 3.232,1110 15.486,1111 19.867,1112 0.353,1113 31.394,1114 14.556,1115 2.133,1116 6.208,1117 27.148,1118 2.985,1119 16.633,1120 21.386,1121 0.489,1122 33.792,1123 15.632,1124 1.846,1125 5.979,1126 29.013,1127 2.696,1128 17.76,1129 22.881,1130 0.29,1131 36.18,1132 16.679,1133 11089,1134 17110,1135 23.463,1136 37.961,1137 51.338,1138 51.463,1139 51.982,1140 51.329,1141 51.273,1142 63.528,1143 7.098,1144 147.589,1145 47.456,1146 5.638,1147 5.336,1148 6.555,1149 5.29,1150 5.225,1151 7.578,1152 1.776,1153 18.361,1154 4.988,1155 10.55,1156 1.51,1157 1.514,1158 1.529,1159 1.51,1160 1.508,1161 1.868,1162 0.209,1163 4.341,1164 1.396,1165 4.102,1166 4.126,1167 4.338,1168 4.071,1169 6.471,1170 4.031,1171 3.87,1172 3.916,1173 3.857,1174 3.817,1175 5.04,1176 3.803,1177 3.817,1178 3.869,1179 3.707,1180 3.616,1181 4.616,1182 3.627,1183 3.723,1184 3.772,1185 3.641,1186 3.522,1187 4.582,1188 3.531,1189 3.369,1190 3.443,1191 3.357,1192 3.188,1193 4.413,1194 3.197,1195 3.161,1196 3.238,1197 3.081,1198 2.954,1199 4.239,1200 2.949,1201 3.111,1202 3.206,1203 2.904,1204 2.941,1205 3.973,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.856,1212 2.91,1213 0.136,1214 0.098,1215 0.199,1216 0.122,1217 0.095,1218 4.638,1219 0.135,1220 3.336,1221 0.027,1222 6.753,1223 0.327,1224 4.151,1225 0.088,1226 3.225,1227 4.578,1228 0.916,1229 11.116,1230 2.988,1231 1.937,1232 1.912,1233 2.015,1234 2.062,1235 1.312,1236 2.047,1237 1.795,1238 1.74,1239 1.997,1240 2.019,1241 1.218,1242 2.021,1243 1.773,1244 1.726,1245 1.924,1246 1.943,1247 1.081,1248 1.942,1249 1.597,1250 1.551,1251 1.735,1252 1.773,1253 0.931,1254 1.764,1255 1.486,1256 1.46,1257 1.606,1258 1.623,1259 0.852,1260 1.653,1261 1.153,1262 1.064,1263 1.513,1264 1.384,1265 0.825,1266 1.432,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.151,1274 1.054,1275 1.46,1276 1.376,1277 0.619,1278 1.429,1279 4.234,1281 5.565,1282 2.398,1283 7.088,1284 4.727,1285 8.698,1286 6.843,1287 10.355,1289 2.184,1294 9.921,1295 8.478,1297 5.553,1300 7.198,1305 35.518,1306 92.376,1307 195.507,1308 251.091,1309 277.72,1310 285.72,1311 285.72,1312 39.962,1313 8.048,1314 64.96,1315 93.2,1316 29,1317 12.742,1318 4.087,1319 3.17,1320 41.332,1321 117,1322 135,1323 0.175,1324 217.438,1325 367.27,1326 522.309,1327 33479,1329 20.501,1330 0.683,1331 0.602,1332 20.855,1333 18.067,1334 14.653,1335 0.431,1336 0.333,1337 10.381,1338 13.557,1339 10.077,1340 8.244,1341 15.061,1342 11.307,1343 13.448,1344 0.28,1345 0.191,1346 14.09,1347 9.164,1348 11.278,1349 0.176,1350 0.108,1351 12.066,1352 6.9,1353 9.708,1354 0.11,1355 0.059,1356 10.646,1357 5.187,1358 8.365,1359 0.071,1360 0.033,1361 9.258,1362 3.883,1363 0.269,1364 96.279,1365 0.206,1366 28.057,1367 0.496,1368 164,1369 436.971,1370 205.068,1371 439.467,1372 609.73,1373 416,1374 194,1375 434.733,1376 235.638,1377 456.358,1378 676.23,1379 429,1380 8}
{0 CHEMBL525191,1 1.571,2 9.36,3 2.407,4 5.796,5 95.753,6 7.777,7 0.607,8 3.887,9 3.997,10 3.491,11 3.444,12 5.086,13 3.433,14 4.376,15 4.534,16 3.818,17 3.851,18 5.433,19 3.817,20 4.601,21 4.805,22 3.851,23 3.954,24 5.622,25 3.889,26 4.61,27 4.801,28 3.855,29 3.935,30 5.719,31 3.874,32 4.636,33 4.853,34 3.777,35 3.9,36 5.678,37 3.828,38 4.539,39 4.74,40 3.71,41 3.879,42 5.524,43 3.791,44 4.612,45 4.842,46 3.659,47 3.849,48 5.599,49 3.744,50 4.589,51 4.841,52 3.498,53 3.676,54 5.628,55 3.571,56 0.128,57 0.648,58 8.273,59 3.802,60 17.434,61 4.705,62 0.141,63 1.043,64 14.684,65 6.079,66 19.042,67 7.92,68 0.259,69 1.235,70 20.378,71 7.795,72 29.015,73 10.613,74 0.239,75 1.236,76 20.176,77 7.747,78 35.055,79 10.37,80 0.304,81 1.234,82 22.102,83 7.93,84 38.06,85 10.684,86 0.178,87 1.135,88 18.979,89 7.899,90 23.238,91 10.631,92 0.158,93 1.179,94 21.549,95 8.453,96 27.666,97 11.768,98 0.338,99 1.09,100 22.914,101 7.773,102 45.313,103 10.679,104 10,105 39,106 0.271,107 0.641,108 0.81,109 0.864,110 0.872,111 0.872,112 3.268,113 0.882,114 -3.29,115 -3.28,116 -3.14,119 44.2,121 2,125 2,142 5,143 5,145 2,146 1,151 1,157 1,166 1,168 1,172 11,175 7,183 14,187 9,190 1,192 2,195 12,199 8,202 1,204 3,207 9,211 1,212 6,217 3,220 7,223 1,224 6,229 3,232 6,237 4,242 5,245 5,249 2,250 3,255 2,258 2,263 4,266 3,268 3,275 939,276 17.533,277 17.533,278 17.533,279 17.533,280 17.533,281 15.205,282 10.747,283 10.464,284 17.81,285 13.767,286 13.767,287 13.767,288 13.767,289 13.767,290 10.404,291 8.152,292 4.819,293 14.159,294 3.855,295 1.712,296 0.735,297 0.419,298 0.372,299 0.372,300 3.968,303 1,304 1,305 1,306 510,307 2.646,310 119.434,311 132.364,314 94.583,318 1.414,319 19.209,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 54,331 234,332 4.565,333 3.778,334 6.739,335 4.192,336 3.205,337 4.287,338 1.869,339 11.05,340 3.165,341 4.378,342 3.217,343 6.521,344 4.019,345 3.032,346 3.985,348 10.25,349 2.992,350 3.852,351 3.053,352 5.762,353 3.454,354 2.464,355 3.367,357 7.804,358 2.441,359 3.676,360 2.481,361 5.311,362 3.275,363 2.32,364 3.068,366 6.828,367 2.21,368 3.301,369 2.431,370 5.079,371 2.871,372 1.897,373 2.516,375 5.756,376 1.845,377 3.087,378 2.061,379 4.533,380 2.633,381 1.675,382 2.302,384 4.321,385 1.604,386 2.833,387 1.757,388 4.195,389 2.437,390 1.451,391 1.951,393 3.721,394 1.429,395 2.623,396 1.544,397 3.925,398 2.178,399 1.223,400 1.66,402 3.009,403 1.164,404 2.5,405 1.473,406 3.463,407 1.984,408 1,409 1.5,411 2.219,412 0.983,413 2.272,414 1.126,415 3.247,416 1.879,417 0.938,418 1.163,420 2.136,421 0.874,422 2.089,423 1,424 3.242,425 1.746,426 0.789,427 1.052,428 1.67,429 0.752,430 1.944,431 0.801,432 3.122,433 1.722,434 0.74,435 0.858,436 1.602,437 0.727,438 1.422,439 0.701,440 2.731,441 1.243,442 0.246,443 0.274,445 0.393,446 0.245,447 0.82,448 -0.045,449 2.558,450 0.474,451 -0.419,452 -0.458,454 -0.698,455 -0.37,456 0.744,457 -0.169,458 2.323,459 0.453,460 -0.53,461 -0.68,463 -1.344,464 -0.52,465 11.767,466 0.471,467 0.462,468 0.018,469 33.5,470 1.34,471 17.5,472 0.7,473 16,474 0.64,475 18.479,476 0.739,477 26.033,478 0.605,479 23.883,480 0.955,481 6.764,482 0.271,483 5.532,484 0.221,485 0.057,487 0.331,493 0.777,494 1.047,495 0.762,496 0.91,497 0.854,498 0.857,499 0.846,500 1.093,501 0.878,502 0.927,503 0.698,504 0.903,505 0.765,506 0.989,507 0.925,508 0.934,509 0.707,510 0.944,511 0.886,512 1.156,513 1.012,514 1.108,515 0.809,516 1.081,517 1.035,518 0.948,519 1.03,520 0.951,521 0.931,522 0.977,523 0.681,524 1.081,525 0.994,526 1.145,527 0.685,528 1.13,529 0.645,530 1.179,531 0.967,532 1.215,533 0.583,534 1.156,535 1.092,536 0.916,537 1.061,538 1.031,539 1.112,540 1.04,541 4,542 0.061,543 2.667,544 1.764,545 1.429,546 0.771,547 0.42,548 0.323,549 0.268,550 0.166,551 6854,552 19534,553 2.154,554 41.9,555 2,556 9,557 1,558 2,559 2,560 2,564 1.686,565 2.055,566 3.21,567 0.273,568 1,569 1,571 1,573 67.56,574 1.571,575 3.714,576 4.691,577 5.008,578 5.054,579 5.054,580 2.695,581 4.484,582 4.611,583 3.343,584 1002.81,585 8.007,586 11865.8,588 1,590 1,591 233.329,592 1.26,593 4.592,594 0.143,595 0.006,596 0.068,597 0.045,598 0.038,599 0.022,600 0.013,601 0.011,602 0.011,603 0.01,604 0.367,605 0.33,606 1,607 0.955,608 118.82,609 0.079,610 0.08,611 0.035,612 0.097,613 -0.018,614 0.054,615 -0.129,616 0.006,617 -0.038,618 0.064,619 -0.085,620 0.036,621 -0.03,622 0.043,623 -0.014,624 0.053,625 -0.055,626 0.03,627 -0.041,628 -0.125,629 -0.101,630 -0.128,631 -0.01,632 -0.125,633 -0.12,634 0.056,635 -0.072,636 0.02,637 -0.073,638 -0.009,639 -0.009,640 -0.094,641 -0.091,642 -0.128,643 -0.052,644 -0.127,645 0.029,646 -0.231,647 -0.019,648 -0.207,649 0.061,650 -0.134,651 -0.04,652 0.007,653 -0.023,654 -0.062,655 -0.029,656 -0.043,657 1.461,658 3.236,659 0.8,660 21.267,661 1.006,662 1.124,663 2.064,664 4.26,665 0.681,666 3.367,667 3.689,668 4.025,669 4.344,670 4.554,671 4.691,672 4.875,673 5.024,674 5.1,675 5.159,676 5.622,677 0.656,678 334.41,679 3.367,680 4.905,681 5.778,682 6.671,683 7.565,684 8.468,685 9.371,686 10.278,687 11.185,688 12.094,689 9.3,697 1,698 1,699 2,704 8,705 2,709 6,710 1,711 17,715 1,731 43,733 18,734 1,735 28,737 46,738 19,739 14,740 3,741 3,742 1,746 4,747 5,752 1,755 2,758 2,761 15,762 4,766 1,774 1,775 1,777 1,778 1,781 18,782 5,783 2,784 6,790 4,794 0.75,795 2,796 1,803 1,805 1,811 2,812 2,815 1,838 2,840 3,848 25,853 2,854 4,870 4.7,871 1,875 1,877 12.167,878 7.617,879 5.639,880 2.559,881 3.366,882 1.45,883 0.969,884 4.244,885 10.852,886 3.651,887 4.266,888 4.904,889 5.532,890 6.053,891 6.418,892 6.901,893 7.328,894 7.701,895 8.003,896 1,897 39,898 9.181,900 3.924,901 7.767,902 17.601,904 14.698,905 2.267,906 56.667,909 1,910 188.338,911 103.14,912 48.473,914 85.489,917 103.14,918 273.827,919 48.473,921 7.175,922 99.112,923 59.747,924 94.609,925 11.771,926 153.024,928 188.338,929 151.612,930 85.489,933 188.338,934 42.806,935 42.683,937 43.05,938 75.113,939 33.449,941 188.338,942 133.962,943 103.14,946 188.338,947 28.616,948 76.3,950 132.185,951 188.338,952 133.962,953 103.14,955 0.568,956 0.347,957 0.204,958 0.11,959 20,960 8,961 0.087,962 4,963 1,964 1.1,965 3.702,966 216.176,967 0.1,968 20,969 112.096,974 15.854,975 6.692,976 2.917,978 132.185,979 15.487,980 8.706,984 6.121,985 1.763,986 85.489,987 425.439,988 37.5,996 3.39,997 0.742,999 43.247,1000 48.318,1001 0.29,1002 0.685,1003 0.865,1004 0.923,1005 0.931,1006 0.931,1007 4.877,1008 1.223,1009 5.753,1010 3.721,1011 4.369,1012 4.952,1013 2.077,1014 6.594,1015 4.323,1016 6.085,1017 1,1018 7.322,1019 3.009,1020 3.892,1021 4.677,1023 7.545,1024 3.843,1025 7.398,1026 0.938,1027 8.995,1028 2.219,1029 5.979,1030 7.162,1031 3.234,1032 10.686,1033 5.904,1034 8.752,1035 0.789,1036 10.731,1037 2.136,1038 6.399,1039 7.769,1041 12.499,1042 6.324,1043 10.141,1044 0.74,1045 12.509,1046 1.67,1047 7.904,1048 9.664,1049 4.456,1050 15.137,1051 7.807,1052 11.555,1053 0.246,1054 14.314,1055 1.602,1056 8.726,1057 10.683,1059 17.286,1060 8.627,1061 12.987,1062 -0.419,1063 16.139,1064 0.393,1065 10.005,1066 12.328,1067 5.698,1068 19.757,1069 9.889,1070 3.205,1071 -0.53,1072 17.978,1073 -0.698,1074 11.009,1075 13.553,1077 22.043,1078 10.886,1079 3.032,1080 11.05,1081 19.829,1082 -1.344,1083 12.201,1084 15.084,1085 6.946,1086 24.456,1087 12.064,1088 2.464,1089 10.25,1090 21.688,1091 4.287,1092 13.284,1093 16.413,1095 26.797,1096 13.138,1097 2.32,1098 7.804,1099 23.553,1100 3.985,1101 14.445,1102 17.892,1103 8.196,1104 29.19,1105 14.286,1106 1.897,1107 6.828,1108 25.425,1109 3.367,1110 15.564,1111 19.274,1113 31.556,1114 15.394,1115 1.675,1116 5.756,1117 27.3,1118 3.068,1119 16.714,1120 20.73,1121 9.447,1122 33.943,1123 16.531,1124 1.451,1125 4.321,1126 29.18,1127 2.516,1128 17.849,1129 22.14,1131 36.32,1132 17.654,1133 6548,1134 11139,1135 19.186,1136 29.262,1137 42.263,1138 44.605,1139 43.423,1140 42.01,1141 41.958,1142 55.967,1143 3.737,1144 121.513,1145 40.86,1146 5.395,1147 5.778,1148 6.541,1149 5.227,1150 5.205,1151 7.287,1152 3.737,1153 18.255,1154 5.165,1155 9.347,1156 1.509,1157 1.593,1158 1.551,1159 1.5,1160 1.499,1161 1.999,1162 0.133,1163 4.34,1164 1.459,1165 4.096,1166 4.131,1167 4.058,1168 4.02,1169 6.543,1170 4.023,1171 3.924,1172 3.963,1173 3.874,1174 3.821,1175 6.456,1176 3.829,1177 3.738,1178 3.796,1179 3.67,1180 3.574,1181 5.001,1182 3.591,1183 3.471,1184 3.521,1185 3.361,1186 3.315,1187 4.811,1188 3.316,1189 3.288,1190 3.346,1191 3.154,1192 3.099,1193 4.671,1194 3.099,1195 3.058,1196 3.116,1197 2.935,1198 2.852,1199 4.1,1200 2.86,1201 2.854,1202 2.925,1203 2.687,1204 2.735,1205 3.788,1206 2.715,1207 2.755,1208 2.822,1209 2.653,1210 2.527,1211 3.717,1212 2.547,1213 0.163,1214 0.135,1215 0.241,1216 0.15,1217 0.114,1218 4.565,1219 0.153,1220 3.778,1221 0.067,1222 6.739,1223 0.395,1224 4.192,1225 0.113,1226 3.205,1227 4.287,1228 1.869,1229 11.05,1230 3.165,1231 1.945,1232 1.927,1233 2.024,1234 2.007,1235 1.219,1236 2.013,1237 1.822,1238 1.79,1239 1.927,1240 1.944,1241 1.066,1242 1.94,1243 1.592,1244 1.525,1245 1.806,1246 1.851,1247 1.036,1248 1.839,1249 1.546,1250 1.49,1251 1.767,1252 1.731,1253 0.98,1254 1.741,1255 1.321,1256 1.288,1257 1.444,1258 1.451,1259 0.61,1260 1.45,1261 1.004,1262 0.927,1263 1.207,1264 1.36,1265 0.297,1266 1.315,1267 0.953,1268 0.9,1269 1.181,1270 1.214,1271 0.218,1272 1.189,1273 0.886,1274 0.821,1275 1.16,1276 1.062,1277 0.206,1278 1.107,1279 4.043,1281 5.361,1282 3.045,1283 6.882,1284 5.416,1285 8.496,1286 7.526,1287 10.159,1294 18.336,1295 2.121,1305 28.203,1306 67.56,1307 159.72,1308 201.72,1309 215.329,1310 217.329,1311 217.329,1312 35.277,1313 7.485,1314 83.53,1315 83.53,1316 22,1317 12.61,1318 4.248,1319 3.392,1320 35.704,1321 81,1322 93,1323 0.213,1324 172.274,1325 292.94,1326 412.11,1327 16818,1329 17.225,1330 0.689,1331 0.545,1332 17.225,1333 13.631,1334 12.296,1335 0.439,1336 0.294,1337 8.126,1338 11.81,1339 7.983,1340 6.568,1341 12.296,1342 8.232,1343 10.595,1344 0.272,1345 0.155,1346 10.595,1347 6.033,1348 9.439,1349 0.172,1350 0.082,1351 9.439,1352 4.524,1353 8.32,1354 0.109,1355 0.044,1356 8.32,1357 3.314,1358 6.576,1359 0.07,1360 0.023,1361 6.576,1362 2.179,1363 0.325,1364 77.271,1365 0.228,1366 23.89,1367 0.614,1368 134,1369 380.88,1370 143.789,1371 373.572,1372 515.79,1373 350,1374 161,1375 387.666,1376 171.596,1377 392.319,1378 569.18,1379 370,1380 5}
{0 CHEMBL534950,1 1.655,2 12.706,3 3.456,4 11.942,5 131.159,6 7.83,7 0.538,8 4.241,9 4.346,10 3.904,11 3.78,12 5.252,13 3.758,14 4.825,15 4.99,16 4.248,17 4.179,18 5.806,19 4.137,20 5.033,21 5.237,22 4.271,23 4.279,24 5.969,25 4.213,26 5.018,27 5.241,28 4.19,29 4.247,30 5.911,31 4.173,32 5.036,33 5.262,34 4.22,35 4.236,36 5.963,37 4.169,38 4.953,39 5.135,40 4.252,41 4.257,42 5.923,43 4.209,44 4.962,45 5.142,46 4.203,47 4.307,48 5.935,49 4.233,50 5.071,51 5.293,52 4.135,53 4.316,54 5.974,55 4.191,56 0.027,57 0.937,58 12.612,59 5.806,60 6.095,61 7.111,62 0.418,63 1.58,64 29.761,65 10.111,66 27.73,67 12.109,68 0.676,69 1.839,70 37.775,71 12.161,72 40.316,73 15.859,74 0.359,75 1.795,76 33.273,77 12.095,78 32.668,79 16.488,80 0.656,81 1.764,82 37.599,83 12.559,84 47.922,85 16.466,86 0.515,87 1.716,88 32.21,89 11.039,90 35.214,91 14.066,92 0.369,93 1.768,94 28.441,95 11.209,96 33.259,97 14.914,98 0.473,99 1.842,100 35.42,101 13.973,102 43.892,103 18.767,105 54,106 0.264,107 0.569,108 0.738,109 0.833,110 0.833,111 0.833,112 3.561,113 0.994,114 -4.17,115 -4.11,116 -3.89,119 41,125 10,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 8,183 5,186 5,187 10,195 2,198 2,199 8,207 1,211 5,212 9,220 3,223 1,224 9,232 4,236 2,237 8,245 4,249 4,250 6,258 4,262 1,263 4,271 3,275 2230,276 23.999,277 23.999,278 23.999,279 23.999,280 23.999,281 21.708,282 21.27,283 14.537,284 24.934,285 19.368,286 19.368,287 19.368,288 19.368,289 19.368,290 15.796,291 27.416,292 7.004,293 20.815,294 4.276,295 2.372,296 1.315,297 0.721,298 0.721,299 0.721,300 4.288,305 1,306 982,307 2.828,310 57.35,311 440.872,314 223.855,318 1.993,319 26.881,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 73.5,331 432,332 4.779,333 4.215,334 6.937,335 4.289,336 3.319,337 4.866,338 2.95,339 11.762,340 3.224,341 4.252,342 3.381,343 6.307,344 3.834,345 2.864,346 3.923,347 0.86,348 9.528,349 2.779,350 4.051,351 2.977,352 6.13,353 3.694,354 2.751,355 3.625,356 0.86,357 9.032,358 2.591,359 3.676,360 2.973,361 5.459,362 3.436,363 2.527,364 3.051,365 0.8,366 7.013,367 2.292,368 3.517,369 2.749,370 5.353,371 3.275,372 2.347,373 2.831,374 0.8,375 6.885,376 2.172,377 3.463,378 2.599,379 5.288,380 3.066,381 2.115,382 2.518,384 6.579,385 2.005,386 3.189,387 2.427,388 4.938,389 2.765,390 1.822,391 2.406,393 5.391,394 1.718,395 2.967,396 2.352,397 4.39,398 2.529,399 1.601,400 2.126,402 4.158,403 1.488,404 2.873,405 2.054,406 4.18,407 2.441,408 1.537,409 2.03,411 3.606,412 1.394,413 2.65,414 1.748,415 3.678,416 2.323,417 1.426,418 1.699,420 3.217,421 1.245,422 2.595,423 1.675,424 3.613,425 2.246,426 1.311,427 1.638,428 2.914,429 1.213,430 2.548,431 1.43,432 3.561,433 2.085,434 1.111,435 1.55,436 2.596,437 1.079,438 2.28,439 1.312,440 3.494,441 1.952,442 1,443 1.243,445 2.566,446 0.946,447 2.095,448 1.256,449 3.301,450 1.938,451 1,452 1.075,454 2.212,455 0.924,456 2,457 1.111,458 3.257,459 1.91,460 1,461 1,463 2.136,464 0.905,465 16.333,466 0.48,467 0.582,468 0.017,469 43,470 1.265,471 19,472 0.559,473 24,474 0.706,475 31.612,476 0.93,477 36.467,478 0.598,479 31.562,480 0.928,481 7.88,482 0.232,483 8.968,484 0.264,487 0.294,493 0.878,494 1.438,495 0.717,496 1.096,497 0.751,498 0.97,499 1.319,500 1.081,501 1.147,502 1.038,503 1.016,504 0.911,505 1.078,506 1.046,507 1.028,508 0.975,509 0.911,510 0.927,511 0.902,512 1.067,513 0.743,514 0.912,515 0.948,516 0.961,517 1.113,518 0.847,519 0.814,520 0.769,521 1.061,522 0.776,523 1.247,524 1.071,525 0.963,526 0.951,527 1.2,528 0.946,529 0.954,530 1.093,531 0.943,532 1.032,533 1.191,534 1.162,535 0.676,536 0.979,537 0.884,538 1.052,539 0.904,540 1.16,541 4.5,542 0.061,543 2.889,544 1.764,545 1.306,546 1.327,547 0.634,548 0.281,549 0.342,550 0.141,551 18293,552 44821,553 2.253,554 44.3,556 26,558 1,564 1.762,565 2.217,566 3.574,567 -0.729,573 100.932,574 1.655,575 3.558,576 4.615,577 5.209,578 5.209,579 5.209,580 3.023,581 4.793,582 5.053,583 3.788,584 2124.9,585 8.88,586 32242.2,591 361.775,592 0.874,593 5.06,594 0.115,595 0.002,596 0.053,597 0.032,598 0.026,599 0.025,600 0.012,601 0.005,602 0.008,603 0.004,604 0.283,605 0.33,606 0.75,608 181.583,609 -0.017,610 -0.291,611 0.097,612 -0.098,613 0.057,614 -0.026,615 -0.115,616 0.037,617 -0.098,618 -0.01,619 0.028,620 0.016,621 0.05,622 -0.011,623 -0.049,624 -0.011,625 0.135,626 0.019,627 -0.005,628 -0.081,629 0.057,630 -0.041,631 0.055,633 0.044,634 0.118,635 0.11,636 0.152,637 0.105,638 0.184,639 -0.1,640 -0.025,641 -0.086,642 -0.027,643 -0.099,644 -0.015,645 -0.079,646 -0.031,647 -0.202,648 -0.157,649 -0.205,650 -0.226,651 0.118,652 -0.021,653 -0.058,654 -0.128,655 0.01,656 -0.165,657 1.091,658 2.613,659 0.912,660 39.021,661 1.005,662 1.125,663 2.939,664 8.641,665 0.679,666 3.689,667 4.007,668 4.331,669 4.654,670 4.956,671 5.094,672 5.347,673 5.561,674 5.69,675 5.829,676 7.484,677 0.643,678 477.64,679 3.689,680 5.231,681 6.098,682 6.984,683 7.872,684 8.771,685 9.672,686 10.581,687 11.49,688 12.405,689 8.2,692 1,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,729 1,731 61,733 21,734 1,735 39,737 66,738 25,739 15,740 2,741 4,746 6,747 9,761 15,762 10,780 1,781 27,782 8,784 9,785 1,790 5,794 0.667,795 3,805 1,806 1,811 1,812 5,815 2,836 1,839 1,840 4,841 1,842 1,848 34,854 10,856 2,857 1,859 2,870 4.9,874 1,875 2,877 15.333,878 11,879 7.417,880 3.832,881 4.365,882 1.502,883 1.023,884 6.558,885 13.066,886 3.922,887 4.53,888 5.197,889 5.888,890 6.546,891 7.029,892 7.62,893 8.171,894 8.568,895 9.014,896 1,897 55,898 12.615,900 5.424,901 7.49,902 24.8,904 20.908,905 1.99,906 67.667,910 317.82,911 151.275,912 56.605,914 31.507,916 32.22,917 119.056,918 349.327,919 56.605,921 26.105,922 56.857,923 77.535,924 51.277,925 7.164,926 338.268,928 317.82,929 175.661,930 31.507,931 32.22,933 320.148,934 20.507,935 11,937 44.828,938 78.148,939 50.357,940 32.22,941 317.82,942 88.112,943 151.275,946 317.82,947 85.37,948 72.154,950 81.864,951 317.82,952 88.112,953 151.275,955 0.572,956 0.337,957 0.194,958 0.111,959 28,960 10,961 0.091,962 6,963 2,964 1.129,965 4.613,966 337.262,967 0.129,968 31,969 164.974,970 1,974 22.11,975 10.084,976 4.763,977 2.921,978 88.112,979 13.677,980 14.262,982 6.113,984 3.19,987 557.207,988 49.5,999 61.287,1000 68.607,1001 0.279,1002 0.6,1003 0.778,1004 0.878,1005 0.878,1006 0.878,1007 5.16,1008 1.601,1009 6.057,1010 5.391,1011 4.691,1012 5.218,1013 3.148,1014 6.872,1015 4.568,1016 6.34,1017 1.537,1018 7.603,1019 4.158,1020 4.111,1021 4.997,1022 0.57,1023 7.758,1024 3.972,1025 7.641,1026 1.426,1027 9.256,1028 3.606,1029 6.271,1030 7.474,1031 5.047,1032 10.924,1033 6.06,1034 8.985,1035 1.311,1036 10.976,1037 3.217,1038 6.594,1039 8.21,1040 0.479,1041 12.718,1042 6.384,1043 10.372,1044 1.111,1045 12.741,1046 2.914,1047 8.159,1048 10.125,1049 7.186,1050 15.385,1051 7.887,1052 11.79,1053 1,1054 14.537,1055 2.596,1056 8.921,1057 11.314,1058 0.346,1059 17.554,1060 8.65,1061 13.232,1062 1,1063 16.357,1064 2.566,1065 10.236,1066 13.008,1067 9.348,1068 20.063,1069 9.919,1070 3.319,1071 1,1072 18.194,1073 2.212,1074 11.216,1075 14.41,1076 0.237,1077 22.392,1078 10.892,1079 2.864,1080 11.762,1081 20.045,1082 2.136,1083 12.432,1084 16.021,1085 11.511,1086 24.854,1087 12.073,1088 2.751,1089 9.528,1090 21.908,1091 4.866,1092 13.515,1093 17.52,1094 0.158,1095 27.252,1096 13.144,1097 2.527,1098 9.032,1099 23.78,1100 3.923,1101 14.698,1102 19.103,1103 13.675,1104 29.704,1105 14.298,1106 2.347,1107 7.013,1108 25.66,1109 3.625,1110 15.833,1111 20.645,1112 0.104,1113 32.134,1114 15.414,1115 2.115,1116 6.885,1117 27.546,1118 3.051,1119 17.009,1120 22.222,1121 15.838,1122 34.586,1123 16.564,1124 1.822,1125 6.579,1126 29.438,1127 2.831,1128 18.169,1129 23.783,1130 0.068,1131 37.032,1132 17.702,1133 16536,1134 26085,1135 27.622,1136 41.415,1137 58.498,1138 61.815,1139 58.609,1140 58.444,1141 58.388,1142 74.465,1143 12.54,1144 165.937,1145 54.572,1146 5.779,1147 6.215,1148 6.739,1149 5.433,1150 5.319,1151 7.866,1152 5.9,1153 19.31,1154 5.224,1156 1.5,1157 1.585,1158 1.503,1159 1.499,1160 1.497,1161 1.909,1162 0.322,1163 4.255,1164 1.399,1165 4.185,1166 4.202,1167 4.173,1168 4.048,1169 5.283,1170 4.076,1171 3.91,1172 3.935,1173 3.942,1174 3.828,1175 4.886,1176 3.831,1177 3.785,1178 3.845,1179 3.849,1180 3.677,1181 4.718,1182 3.628,1183 3.768,1184 3.822,1185 3.672,1186 3.568,1187 4.602,1188 3.586,1189 3.538,1190 3.583,1191 3.474,1192 3.372,1193 4.399,1194 3.386,1195 3.375,1196 3.429,1197 3.361,1198 3.228,1199 4.314,1200 3.196,1201 3.111,1202 3.206,1203 3.061,1204 2.941,1205 4.184,1206 2.954,1207 3.111,1208 3.206,1209 2.903,1210 2.941,1211 4.032,1212 2.91,1213 0.123,1214 0.108,1215 0.178,1216 0.11,1217 0.085,1218 4.779,1219 0.125,1220 4.215,1221 0.076,1222 6.937,1223 0.302,1224 4.289,1225 0.083,1226 3.319,1227 4.866,1228 2.95,1229 11.762,1230 3.224,1231 1.958,1232 1.932,1233 2.029,1234 2.083,1235 1.297,1236 2.064,1237 1.851,1238 1.827,1239 1.951,1240 1.975,1241 1.218,1242 1.974,1243 1.757,1244 1.714,1245 1.92,1246 1.969,1247 1.106,1248 1.956,1249 1.738,1250 1.684,1251 1.914,1252 1.915,1253 1.035,1254 1.93,1255 1.547,1256 1.51,1257 1.656,1258 1.773,1259 0.942,1260 1.741,1261 1.361,1262 1.305,1263 1.618,1264 1.565,1265 0.825,1266 1.601,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.698,1278 1.429,1279 4.369,1281 5.687,1282 2.398,1283 7.213,1284 4.844,1285 8.833,1286 7.066,1287 10.504,1295 9.157,1297 11.656,1298 2.024,1300 4.667,1305 39.233,1306 100.932,1307 217.056,1308 281.536,1309 317.775,1310 317.775,1311 317.775,1312 43.762,1313 8.701,1314 76.75,1315 102.05,1316 35,1317 12.919,1318 4.459,1319 3.524,1320 45.065,1321 148,1322 184,1323 0.143,1324 236.963,1325 399.42,1326 569.95,1327 84089,1329 22.744,1330 0.669,1331 0.582,1332 23.098,1333 19.798,1334 16.848,1335 0.432,1336 0.331,1337 11.658,1338 15.556,1339 11.38,1340 9.244,1341 17.348,1342 12.918,1343 14.793,1344 0.274,1345 0.179,1346 15.323,1347 9.661,1348 13.037,1349 0.174,1350 0.096,1351 13.491,1352 7.198,1353 11.43,1354 0.11,1355 0.052,1356 11.951,1357 5.404,1358 9.867,1359 0.07,1360 0.028,1361 10.377,1362 3.961,1363 0.225,1364 111.273,1365 0.19,1366 31.439,1367 0.393,1368 186,1369 536.293,1370 226.117,1371 523.439,1372 731.88,1373 500,1374 222,1375 535.763,1376 259.537,1377 541.891,1378 810.98,1379 513,1380 7.102}
{0 CHEMBL534951,1 1.691,2 10.333,3 2.554,4 6.523,5 104.126,6 8.467,7 0.618,8 4.031,9 4.115,10 3.706,11 3.524,12 5.219,13 3.561,14 4.563,15 4.693,16 4.082,17 3.895,18 5.81,19 3.926,20 4.757,21 4.921,22 4.127,23 3.996,24 5.953,25 3.998,26 4.712,27 4.9,28 4.061,29 3.987,30 5.77,31 3.976,32 4.723,33 4.894,34 4.122,35 4.017,36 5.873,37 4.015,38 4.76,39 4.905,40 4.134,41 4.071,42 5.923,43 4.067,44 4.798,45 4.97,46 4.058,47 4.067,48 5.92,49 4.035,50 4.812,51 5.009,52 3.924,53 3.993,54 5.951,55 3.917,56 0.166,57 0.715,58 7.688,59 4.174,60 13.941,61 4.454,62 0.59,63 1.155,64 16.501,65 6.659,66 51.715,67 7.308,68 0.928,69 1.347,70 22.836,71 8.028,72 69.526,73 9.563,74 0.544,75 1.361,76 21.361,77 7.896,78 41.012,79 9.858,80 0.658,81 1.347,82 21.334,83 8.119,84 44.259,85 9.826,86 0.652,87 1.4,88 20.274,89 8.204,90 48.942,91 9.194,92 0.624,93 1.434,94 21.956,95 8.72,96 45.23,97 10.356,98 0.761,99 1.348,100 24.867,101 9.91,102 65.902,103 12.785,104 8,105 48,106 0.282,107 0.664,108 0.802,109 0.856,110 0.856,111 0.856,112 3.441,113 0.84,114 -3.32,115 -3.3,116 -3.16,119 43.8,125 5,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,158 1,161 1,167 1,170 1,172 6,174 3,175 8,176 1,178 1,183 5,186 5,187 9,190 1,195 2,198 2,199 8,207 1,208 2,211 5,212 9,217 2,220 3,221 2,223 1,224 8,229 2,232 4,233 1,236 2,237 8,238 2,242 1,245 4,249 4,250 6,253 2,258 2,262 1,263 4,264 1,271 1,272 1,275 1466,276 20.723,277 20.723,278 20.723,279 20.723,280 20.723,281 18.225,282 16.364,283 12.399,284 21.276,285 16.868,286 16.868,287 16.868,288 16.868,289 16.868,290 12.975,291 20.753,292 5.975,293 17.764,294 3.894,295 1.607,296 0.781,297 0.458,298 0.458,299 0.458,300 4.156,304 1,305 1,306 688,307 3.082,310 47.222,311 280.75,314 186.478,318 1.533,319 35.844,322 1,323 0.83,324 1,325 0.6,327 1,328 1,329 0.78,330 67,331 310,332 4.779,333 3.628,334 6.937,335 4.289,336 3.319,337 4.866,338 2.423,339 11.762,340 3.224,341 4.253,342 3.38,343 6.307,344 3.835,345 2.865,346 3.923,347 0.922,348 9.528,349 2.779,350 4.052,351 2.973,352 6.131,353 3.694,354 2.751,355 3.626,356 0.86,357 9.032,358 2.591,359 3.695,360 2.943,361 5.459,362 3.336,363 2.401,364 3.057,365 0.8,366 6.954,367 2.235,368 3.52,369 2.605,370 5.315,371 3.135,372 2.165,373 2.837,375 6.596,376 2.081,377 3.448,378 2.351,379 4.939,380 3.038,381 2.067,382 2.681,384 5.394,385 1.988,386 3.188,387 2.052,388 4.624,389 2.763,390 1.821,391 2.404,393 5.069,394 1.717,395 2.958,396 1.743,397 4.371,398 2.512,399 1.559,400 2.115,402 4.107,403 1.479,404 2.863,405 1.64,406 4.176,407 2.376,408 1.422,409 2.021,411 3.591,412 1.353,413 2.649,414 1.42,415 3.613,416 2.246,417 1.311,418 1.698,420 2.914,421 1.214,422 2.591,423 1.26,424 3.561,425 2.083,426 1.102,427 1.634,428 2.57,429 1.079,430 2.28,431 1.256,432 3.489,433 1.952,434 1,435 1.243,436 2.559,437 0.946,438 2,439 1.108,440 3.269,441 1.91,442 1,443 1,445 2.136,446 0.905,447 1.892,448 1.082,449 3.247,450 1.447,451 0.547,452 0.66,454 1.267,455 0.482,456 1.777,457 0.511,458 2.936,459 1.413,460 0.461,461 0.624,463 1.185,464 0.438,465 13.767,466 0.459,467 0.657,468 0.022,469 41.75,470 1.392,471 20.5,472 0.683,473 21.25,474 0.708,475 22.551,476 0.752,477 31.833,478 0.663,479 32.559,480 1.085,481 8.468,482 0.282,483 6.219,484 0.207,485 0.048,487 0.356,493 0.876,494 1.397,495 0.661,496 1.141,497 0.742,498 0.904,499 1.027,500 1.056,501 0.847,502 0.924,503 0.576,504 0.849,505 0.946,506 1.036,507 0.938,508 0.846,509 0.854,510 0.882,511 0.821,512 1.078,513 0.867,514 0.936,515 0.537,516 0.902,517 0.838,518 0.951,519 0.841,520 0.871,521 0.603,522 0.855,523 1.048,524 1.175,525 1.092,526 1.074,527 1.008,528 1.078,529 0.909,530 1.077,531 1.153,532 1.147,533 0.84,534 1.183,535 0.605,536 1.041,537 1.053,538 1.237,539 0.595,540 1.269,541 5,542 0.149,543 2.889,544 1.701,545 1.475,546 1.292,547 0.636,548 0.392,549 0.261,550 0.149,551 11396,552 35991,553 2.186,554 37.5,556 16,558 1,559 1,564 1.735,565 2.093,566 3.321,567 -0.283,568 1,569 1,573 81.171,574 1.691,575 3.978,576 4.804,577 5.127,578 5.127,579 5.127,580 2.749,581 4.64,582 4.873,583 3.501,584 1523.07,585 8.543,586 20486.1,588 1,590 1,591 268.078,592 1.231,593 4.859,594 0.147,595 0.008,596 0.06,597 0.035,598 0.031,599 0.026,600 0.013,601 0.009,602 0.007,603 0.006,604 0.341,605 0.33,606 0.88,607 0.915,608 151.535,609 -0.097,610 -0.277,611 0.054,612 -0.126,613 -0.084,614 -0.023,615 -0.041,616 0.029,617 0.008,618 0.036,619 0.119,620 0.035,621 0.062,622 -0.001,623 0.002,624 0.109,625 0.013,626 0.046,627 -0.076,628 -0.008,629 0.045,630 0.023,631 -0.024,632 0.063,633 0.003,634 0.108,635 0.065,636 0.098,637 0.044,638 0.095,639 -0.161,640 -0.101,641 -0.235,642 -0.106,643 -0.15,644 -0.167,645 -0.112,646 -0.015,647 -0.266,648 -0.179,649 -0.118,650 -0.236,651 0.186,652 -0.087,653 -0.082,654 -0.227,655 0.133,656 -0.233,657 2.704,658 3.807,659 0.833,660 28.516,661 1.026,662 1.124,663 2.086,664 4.352,665 0.68,666 3.555,667 3.892,668 4.205,669 4.543,670 4.868,671 5.03,672 5.293,673 5.505,674 5.624,675 5.749,676 6.27,677 0.674,678 406.43,679 3.555,680 5.106,681 5.974,682 6.87,683 7.765,684 8.674,685 9.584,686 10.501,687 11.419,688 12.341,689 8.3,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,729 1,731 48,733 22,734 1,735 34,737 52,738 21,739 15,740 2,741 4,746 5,747 8,761 16,762 5,766 1,771 1,775 1,778 1,780 1,781 18,782 9,783 1,784 9,790 4,794 0.6,795 5,805 1,806 1,811 1,812 4,815 2,828 1,838 1,839 1,840 3,848 30,853 1,854 5,856 2,859 1,870 10.4,872 1,873 1,874 1,875 2,877 14.333,878 8.75,879 6.5,880 2.832,881 4.35,882 1.528,883 0.996,884 5.048,885 12.587,886 3.839,887 4.486,888 5.152,889 5.86,890 6.534,891 7.025,892 7.619,893 8.17,894 8.566,895 9.009,896 0.857,897 49,898 11.077,900 4.822,901 7.867,902 20.833,904 17.212,905 2.367,906 71,909 1,910 200.109,911 111.849,912 53.481,914 99.335,917 111.849,918 299.444,919 53.481,921 17.989,922 56.857,923 146.273,924 48.153,925 7.164,926 188.338,928 200.109,929 165.33,930 99.335,933 202.437,934 88.336,935 11,937 33.588,938 79.058,939 50.357,941 200.109,942 152.816,943 111.849,946 200.109,947 45.944,948 69.029,950 149.692,951 200.109,952 152.816,953 111.849,955 0.578,956 0.33,957 0.189,958 0.114,959 25,960 10,961 0.096,962 5,963 2,964 1.16,965 4.114,966 287.213,967 0.16,968 25,969 143.207,974 18.944,975 7.994,976 3.762,977 2.588,978 152.816,979 12.506,980 13.852,982 6.008,984 2.335,986 42.683,987 464.774,988 45.5,993 10.807,997 -1.037,999 49.229,1000 53.947,1001 0.303,1002 0.712,1003 0.86,1004 0.918,1005 0.918,1006 0.918,1007 5.077,1008 1.559,1009 5.953,1010 5.069,1011 4.575,1012 5.173,1013 2.684,1014 6.788,1015 4.48,1016 6.289,1017 1.422,1018 7.516,1019 4.107,1020 4.111,1021 5.037,1022 2.283,1023 7.719,1024 3.997,1025 7.607,1026 1.311,1027 9.182,1028 3.591,1029 6.176,1030 7.467,1031 3.869,1032 10.876,1033 6.004,1034 8.965,1035 1.102,1036 10.913,1037 2.914,1038 6.567,1039 8.226,1040 4.243,1041 12.689,1042 6.381,1043 10.36,1044 1,1045 12.687,1046 2.57,1047 8.085,1048 10.127,1049 5.442,1050 15.361,1051 7.852,1052 11.784,1053 1,1054 14.49,1055 2.559,1056 8.887,1057 11.32,1058 6.112,1059 17.539,1060 8.64,1061 13.23,1062 0.547,1063 16.316,1064 2.136,1065 10.184,1066 13.01,1067 7.139,1068 20.052,1069 9.898,1070 3.319,1071 0.461,1072 18.159,1073 1.267,1074 11.186,1075 14.413,1076 7.928,1077 22.385,1078 10.882,1079 2.865,1080 11.762,1081 20.016,1082 1.185,1083 12.396,1084 16.023,1085 8.878,1086 24.85,1087 12.061,1088 2.751,1089 9.528,1090 21.883,1091 4.866,1092 13.493,1093 17.521,1094 9.719,1095 27.25,1096 13.137,1097 2.401,1098 9.032,1099 23.759,1100 3.923,1101 14.676,1102 19.104,1103 10.635,1104 29.703,1105 14.291,1106 2.165,1107 6.954,1108 25.642,1109 3.626,1110 15.817,1111 20.646,1112 11.499,1113 32.133,1114 15.41,1115 2.067,1116 6.596,1117 27.532,1118 3.057,1119 16.995,1120 22.222,1121 12.399,1122 34.586,1123 16.56,1124 1.821,1125 5.394,1126 29.427,1127 2.837,1128 18.159,1129 23.783,1130 13.274,1131 37.031,1132 17.7,1133 10676,1134 19105,1135 23.463,1136 32.625,1137 51.743,1138 52.807,1139 52.043,1140 51.559,1141 51.585,1142 68.775,1143 10.01,1144 149.328,1145 49.02,1146 5.779,1147 5.628,1148 6.739,1149 5.393,1150 5.319,1151 7.866,1152 4.104,1153 19.31,1154 5.224,1155 10.685,1156 1.522,1157 1.553,1158 1.531,1159 1.516,1160 1.517,1161 2.023,1162 0.294,1163 4.392,1164 1.442,1165 4.184,1166 4.201,1167 4.172,1168 4.047,1169 7.474,1170 4.075,1171 3.904,1172 3.924,1173 3.855,1174 3.826,1175 6.351,1176 3.829,1177 3.768,1178 3.822,1179 3.673,1180 3.568,1181 5.283,1182 3.586,1183 3.567,1184 3.598,1185 3.497,1186 3.375,1187 4.88,1188 3.394,1189 3.495,1190 3.511,1191 3.421,1192 3.247,1193 4.711,1194 3.289,1195 3.111,1196 3.206,1197 3.055,1198 2.941,1199 4.6,1200 2.957,1201 3.104,1202 3.126,1203 2.866,1204 2.938,1205 4.375,1206 2.91,1207 2.934,1208 2.99,1209 2.862,1210 2.718,1211 4.221,1212 2.737,1213 0.141,1214 0.107,1215 0.204,1216 0.126,1217 0.098,1218 4.779,1219 0.143,1220 3.628,1221 0.071,1222 6.937,1223 0.346,1224 4.289,1225 0.095,1226 3.319,1227 4.866,1228 2.423,1229 11.762,1230 3.224,1231 1.957,1232 1.932,1233 2.027,1234 2.083,1235 1.218,1236 2.063,1237 1.85,1238 1.826,1239 1.944,1240 1.975,1241 1.105,1242 1.958,1243 1.751,1244 1.711,1245 1.917,1246 1.95,1247 1.032,1248 1.947,1249 1.548,1250 1.511,1251 1.651,1252 1.783,1253 0.825,1254 1.746,1255 1.38,1256 1.366,1257 1.573,1258 1.671,1259 0.716,1260 1.632,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.683,1266 1.429,1267 0.993,1268 0.975,1269 1.15,1270 1.226,1271 0.259,1272 1.19,1273 0.94,1274 0.902,1275 1.119,1276 1.116,1277 0.237,1278 1.101,1279 4.234,1281 5.565,1282 2.398,1283 7.098,1284 4.844,1285 8.725,1286 7.066,1287 10.407,1294 8.855,1295 2.186,1297 10.785,1300 2.115,1305 32.347,1306 81.171,1307 190.943,1308 230.568,1309 246.078,1310 246.078,1311 246.078,1312 43.603,1313 8.237,1314 110.81,1315 110.81,1316 29,1317 12.85,1318 4.524,1319 3.644,1320 41.298,1321 111,1322 130,1323 0.182,1324 193.127,1325 328.01,1326 462.99,1327 43057,1329 20.501,1330 0.683,1331 0.532,1332 20.501,1333 15.946,1334 14.687,1335 0.432,1336 0.28,1337 9.314,1338 13.874,1339 9.208,1340 7.51,1341 14.687,1342 9.519,1343 13.329,1344 0.278,1345 0.142,1346 13.329,1347 6.816,1348 11.24,1349 0.17,1350 0.073,1351 11.24,1352 4.838,1353 9.828,1354 0.106,1355 0.037,1356 9.828,1357 3.453,1358 8.746,1359 0.068,1360 0.019,1361 8.746,1362 2.436,1363 0.279,1364 93.845,1365 0.206,1366 27.831,1367 0.523,1368 164,1369 565.672,1370 187.522,1371 526.785,1372 721.38,1373 496,1374 196,1375 532.946,1376 220.276,1377 529.107,1378 786.86,1379 499,1380 7.62}
{0 CHEMBL535,1 1.584,2 11.655,3 2.998,4 8.987,5 113.678,6 7.117,7 0.355,8 4.101,9 4.238,10 3.612,11 3.603,12 5.199,13 3.578,14 4.649,15 4.852,16 3.983,17 3.985,18 5.735,19 3.943,20 4.864,21 5.08,22 4.051,23 4.122,24 5.954,25 4.066,26 4.978,27 5.196,28 4.03,29 4.168,30 6.076,31 4.077,32 5.06,33 5.324,34 3.954,35 4.095,36 6.164,37 3.994,38 4.949,39 5.221,40 3.905,41 4.029,42 6.047,43 3.935,44 4.824,45 5.053,46 3.867,47 3.978,48 5.943,49 3.895,50 4.825,51 5.057,52 3.837,53 3.927,54 6.073,55 3.851,56 0.042,57 0.89,58 12.112,59 4.992,60 8.39,61 6.881,62 0.257,63 1.392,64 22.895,65 8.086,66 28.708,67 11.698,68 0.357,69 1.638,70 29.378,71 9.964,72 45.373,73 13.974,74 0.334,75 1.713,76 32.841,77 11.644,78 54.094,79 16.456,80 0.714,81 1.689,82 38.27,83 11.448,84 97.478,85 16.832,86 0.566,87 1.535,88 34.091,89 10.532,90 95.888,91 15.545,92 0.404,93 1.417,94 28.873,95 9.612,96 60.464,97 13.7,98 0.648,99 1.43,100 29.772,101 9.203,102 101.382,103 12.854,104 59,105 44,106 0.262,107 0.599,108 0.765,109 0.838,110 0.838,111 0.838,112 3.408,113 0.956,114 -3.6,115 -3.57,116 -3.41,119 39.3,120 4,125 4,135 1,136 1,142 3,143 3,144 2,152 2,158 2,172 6,175 4,178 2,180 8,183 7,187 3,190 1,192 6,195 8,199 4,202 1,203 1,204 3,207 8,211 1,212 4,215 1,216 1,217 5,220 5,224 4,229 4,232 4,237 6,240 1,242 3,245 6,249 1,250 2,253 2,254 1,255 1,258 5,263 2,268 3,271 5,275 1395,276 19.24,277 19.24,278 19.24,279 19.24,280 19.24,281 17.408,282 25.99,283 11.043,284 19.62,285 15.105,286 15.105,287 15.105,288 15.105,289 15.105,290 12.167,291 30.71,292 5.039,293 15.616,294 4.223,295 2.178,296 1.175,297 0.732,298 0.732,299 0.732,300 4.082,304 1,305 1,306 707,307 4.062,310 154.273,311 84.801,314 128.978,318 2.105,319 37.028,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 63.5,331 338,332 4.619,333 3.668,334 6.845,335 4.245,336 3.256,337 4.332,338 1.058,339 11.257,340 3.22,341 4.49,342 3.635,343 6.721,344 4.136,345 3.145,346 4.111,347 1.058,348 10.905,349 3.113,350 3.829,351 2.996,352 5.705,353 3.416,354 2.463,355 3.258,356 0.8,357 7.519,358 2.375,359 3.628,360 2.971,361 5.455,362 3.355,363 2.406,364 2.899,366 6.694,367 2.255,368 3.438,369 2.78,370 5.271,371 3.242,372 2.267,373 2.569,375 6.623,376 2.192,377 3.317,378 2.546,379 4.966,380 2.899,381 1.936,382 2.442,384 5.734,385 1.844,386 3.173,387 2.205,388 4.871,389 2.803,390 1.823,391 2.338,393 5.105,394 1.774,395 3.033,396 1.951,397 4.707,398 2.635,399 1.64,400 2.146,402 4.754,403 1.62,404 2.728,405 1.567,406 4.407,407 2.374,408 1.413,409 1.77,411 3.88,412 1.355,413 2.382,414 1.546,415 3.65,416 2.036,417 1.042,418 1.241,420 2.355,421 1.029,422 2.163,423 0.941,424 3.368,425 1.773,426 0.787,427 1.057,428 2.007,429 0.771,430 1.618,431 0.82,432 3.011,433 1.591,434 0.618,435 0.618,436 0.791,437 0.6,438 1.513,439 0.744,440 2.628,441 1.138,442 0.177,443 0.203,445 0.399,446 0.168,447 1.183,448 0.576,449 2.618,450 1.037,451 0.066,452 0.078,454 0.124,455 0.063,456 1.042,457 0.375,458 2.459,459 0.77,460 -0.24,461 -0.277,463 -0.524,464 -0.238,465 13.552,466 0.467,467 0.822,468 0.028,469 33.5,470 1.155,471 15,472 0.517,473 18.5,474 0.638,475 28.078,476 0.968,477 32.648,478 0.583,479 27.063,480 0.933,481 6.772,482 0.234,483 7.078,484 0.244,485 0.218,487 0.398,491 1,493 0.676,494 1.273,495 0.827,496 1.147,497 0.544,498 1.031,499 0.653,500 1.063,501 0.753,502 0.935,503 0.489,504 0.866,505 1.045,506 0.979,507 0.964,508 0.941,509 0.905,510 0.924,511 0.854,512 1.157,513 1.037,514 1.261,515 0.867,516 1.201,517 1.031,518 0.824,519 0.956,520 0.87,521 1.142,522 0.898,523 0.887,524 0.832,525 0.814,526 0.796,527 0.831,528 0.782,529 0.966,530 0.95,531 0.971,532 1.055,533 1.062,534 1.029,535 1.226,536 0.956,537 1.076,538 0.927,539 1.288,540 0.968,541 6.5,542 0.086,543 3.778,544 3.368,545 1.503,546 1.07,547 0.754,548 0.607,549 0.463,550 0.194,551 10261,552 26966,553 1.973,554 48.2,555 3,556 12,559 3,560 3,561 6,564 1.719,565 1.794,566 3.48,567 0.891,568 1,569 1,573 88.722,574 1.584,575 3.63,576 4.633,577 5.075,578 5.075,579 5.075,580 2.945,581 4.487,582 4.825,583 3.702,584 1503.13,585 8.406,586 20612.1,588 1,590 1,591 325.212,592 1.556,593 4.756,594 0.21,595 0.005,596 0.086,597 0.073,598 0.036,599 0.028,600 0.02,601 0.017,602 0.014,603 0.008,604 0.496,605 0.33,606 1,607 1.766,608 148.127,609 -0.05,610 -0.12,611 0.029,612 -0.024,613 -0.046,614 0.012,615 0.072,616 -0.021,617 0.162,618 0.094,619 0.093,620 0.138,621 -0.107,622 0.081,623 -0.009,624 0.066,625 -0.036,626 0.059,627 -0.003,628 -0.198,629 -0.098,630 -0.243,631 -0.002,632 -0.201,633 0.014,634 0.03,635 0.048,636 0.059,637 -0.045,638 0.055,639 0.053,640 0.076,641 0.178,642 0.156,643 0.098,644 0.193,645 -0.01,646 -0.052,647 -0.006,648 -0.067,649 -0.037,650 -0.046,651 0.004,652 0.02,653 -0.061,654 0.03,655 0.027,656 -0.021,657 2.071,658 5.703,659 0.483,660 30.19,661 1.003,662 1.138,663 2.373,664 5.63,665 0.643,666 3.466,667 3.807,668 4.094,669 4.357,670 4.489,671 4.564,672 4.718,673 4.852,674 4.844,675 4.875,676 7.02,677 0.611,678 398.53,679 3.466,680 5.017,681 5.878,682 6.77,683 7.651,684 8.551,685 9.443,686 10.348,687 11.247,688 12.154,689 7.1,692 1,696 2,697 1,704 3,706 1,709 7,711 11,718 1,730 1,731 56,733 14,734 1,735 31,737 58,738 22,739 10,740 3,741 3,742 4,746 3,747 4,752 4,761 14,762 8,766 3,771 2,773 1,775 3,778 1,779 1,781 27,782 6,783 3,784 7,790 4,794 0.667,795 2,807 1,811 2,812 1,815 1,826 1,831 1,832 1,836 1,840 2,844 4,846 1,848 29,854 4,855 2,859 1,869 1,870 3.6,873 2,877 16.167,878 11.26,879 6.528,880 3.655,881 2.844,882 1.383,883 0.973,884 6.557,885 10.273,886 3.701,887 4.287,888 4.865,889 5.431,890 5.869,891 6.183,892 6.595,893 7.004,894 7.275,895 7.594,896 0.875,897 46,898 10.811,900 4.602,901 7.92,902 20.383,904 16.46,905 2.42,906 70.167,909 1,910 282.506,911 121.171,912 55.931,914 50.29,915 14.96,917 121.171,918 332.796,919 70.891,920 35.301,921 44.444,922 37.905,923 59.699,924 44.53,925 20.474,926 282.506,928 282.506,929 177.103,930 65.25,933 226.84,934 120.916,937 99.655,938 67.972,939 9.476,941 297.467,942 106.221,943 121.171,946 282.506,947 47.966,948 76.33,949 52.807,950 65.25,951 282.506,952 121.181,953 121.171,955 0.584,956 0.356,957 0.187,958 0.091,959 20,960 11,961 0.121,962 7,963 1,964 1.143,965 3.936,966 249.067,967 0.143,968 14,969 136.881,974 21.284,975 8.934,976 4.439,978 104.396,979 4.197,981 3.187,984 3.428,986 52.807,987 524.859,988 39.5,993 25.049,995 1.676,997 -0.06,999 56.178,1000 63.734,1001 0.273,1002 0.625,1003 0.798,1004 0.874,1005 0.874,1006 0.874,1007 4.961,1008 1.64,1009 5.889,1010 5.105,1011 4.489,1012 4.973,1013 1.863,1014 6.739,1015 4.434,1016 6.182,1017 1.413,1018 7.482,1019 4.754,1020 4.205,1021 4.924,1022 0.325,1023 7.735,1024 4.139,1025 7.509,1026 1.042,1027 9.173,1028 3.88,1029 6.125,1030 7.166,1031 1.868,1032 10.853,1033 6.031,1034 8.873,1035 0.787,1036 10.921,1037 2.355,1038 6.648,1039 7.93,1040 0.268,1041 12.69,1042 6.556,1043 10.27,1044 0.618,1045 12.706,1046 2.007,1047 8.072,1048 9.691,1049 1.93,1050 15.345,1051 7.96,1052 11.691,1053 0.177,1054 14.518,1055 0.791,1056 8.958,1057 10.825,1058 0.188,1059 17.53,1060 8.85,1061 13.132,1062 0.066,1063 16.35,1064 0.399,1065 10.206,1066 12.403,1067 2.01,1068 20.027,1069 10.084,1070 3.256,1071 -0.24,1072 18.199,1073 0.124,1074 11.253,1075 13.707,1076 0.125,1077 22.35,1078 11.131,1079 3.145,1080 11.257,1081 20.061,1082 -0.524,1083 12.441,1084 15.209,1085 2.099,1086 24.79,1087 12.309,1088 2.463,1089 10.905,1090 21.933,1091 4.332,1092 13.556,1093 16.591,1094 0.082,1095 27.166,1096 13.42,1097 2.406,1098 7.519,1099 23.814,1100 4.111,1101 14.725,1102 18.063,1103 2.193,1104 29.586,1105 14.58,1106 2.267,1107 6.694,1108 25.702,1109 3.258,1110 15.869,1111 19.48,1112 0.054,1113 31.982,1114 15.718,1115 1.936,1116 6.623,1117 27.595,1118 2.899,1119 17.035,1120 20.939,1121 2.291,1122 34.395,1123 16.874,1124 1.823,1125 5.734,1126 29.493,1127 2.569,1128 18.192,1129 22.374,1130 0.035,1131 36.799,1132 18.022,1133 10241,1134 16865,1135 19.709,1136 36.006,1137 46.73,1138 48.507,1139 49.823,1140 46.081,1141 46.081,1142 58.126,1143 5.833,1144 136.296,1145 44.76,1146 5.545,1147 5.668,1148 6.463,1149 5.284,1150 5.256,1151 7.332,1152 2.117,1153 18.419,1154 5.22,1155 18.634,1156 1.507,1157 1.565,1158 1.607,1159 1.486,1160 1.486,1161 1.875,1162 0.188,1163 4.397,1164 1.444,1165 4.085,1166 4.115,1167 4.05,1168 3.991,1169 8.201,1170 4.001,1171 3.94,1172 3.971,1173 3.904,1174 3.839,1175 7.431,1176 3.85,1177 3.755,1178 3.837,1179 3.619,1180 3.55,1181 7.427,1182 3.555,1183 3.494,1184 3.548,1185 3.44,1186 3.343,1187 4.819,1188 3.357,1189 3.424,1190 3.476,1191 3.311,1192 3.205,1193 4.646,1194 3.21,1195 3.306,1196 3.407,1197 3.04,1198 3.123,1199 4.338,1200 3.089,1201 3.202,1202 3.297,1203 2.998,1204 3.023,1205 4.045,1206 3.002,1207 3.093,1208 3.147,1209 2.944,1210 2.856,1211 3.997,1212 2.88,1213 0.149,1214 0.118,1215 0.221,1216 0.137,1217 0.105,1218 4.619,1219 0.14,1220 3.668,1221 0.034,1222 6.845,1223 0.363,1224 4.245,1225 0.104,1226 3.256,1227 4.332,1228 1.058,1229 11.257,1230 3.22,1231 1.891,1232 1.872,1233 1.969,1234 1.971,1235 1.217,1236 1.971,1237 1.744,1238 1.705,1239 1.963,1240 1.96,1241 1.113,1242 1.965,1243 1.685,1244 1.627,1245 1.845,1246 1.84,1247 1.005,1248 1.836,1249 1.637,1250 1.585,1251 1.792,1252 1.83,1253 0.919,1254 1.823,1255 1.388,1256 1.31,1257 1.725,1258 1.634,1259 0.87,1260 1.657,1261 1.351,1262 1.291,1263 1.697,1264 1.584,1265 0.869,1266 1.638,1267 1.343,1268 1.256,1269 1.545,1270 1.575,1271 0.612,1272 1.558,1273 0.998,1274 0.935,1275 1.258,1276 1.282,1277 0.316,1278 1.283,1279 4.143,1281 5.476,1282 3.045,1283 6.993,1284 5.533,1285 8.595,1286 7.703,1287 10.247,1289 7.856,1291 13.65,1295 3.24,1296 5.705,1300 2.238,1305 34.22,1306 88.722,1307 203.264,1308 259.437,1309 284.192,1310 284.192,1311 284.192,1312 73.893,1313 7.428,1314 80.99,1315 80.99,1316 16,1317 12.673,1318 3.907,1319 3.248,1320 52.559,1321 121,1322 128,1323 0.213,1324 212.57,1325 376.81,1326 510.432,1327 16523,1328 1.8,1329 21.129,1330 0.729,1331 0.596,1332 20.259,1333 17.28,1334 13.85,1335 0.447,1336 0.319,1337 9.741,1338 13.278,1339 9.393,1340 7.849,1341 13.456,1342 9.879,1343 12.455,1344 0.283,1345 0.162,1346 11.821,1347 7.149,1348 10.606,1349 0.18,1350 0.091,1351 10.264,1352 5.365,1353 8.825,1354 0.115,1355 0.048,1356 8.613,1357 3.663,1358 6.317,1359 0.072,1360 0.023,1361 5.988,1362 2.045,1363 0.337,1364 87.002,1365 0.225,1366 27.641,1367 0.58,1368 150,1369 482.226,1370 166.169,1371 440.779,1372 591.42,1373 410,1374 178,1375 427.916,1376 193.084,1377 427.854,1378 628.8,1379 403,1380 5}
{0 CHEMBL537657,1 1.617,2 8.038,3 2.154,4 4.641,5 96.128,6 8.079,7 0.7,8 3.916,9 4.025,10 3.568,11 3.442,12 5.045,13 3.459,14 4.447,15 4.596,16 3.948,17 3.833,18 5.55,19 3.84,20 4.644,21 4.832,22 4,23 3.931,24 5.716,25 3.91,26 4.632,27 4.845,28 3.927,29 3.887,30 5.648,31 3.859,32 4.575,33 4.764,34 3.944,35 3.875,36 5.659,37 3.859,38 4.591,39 4.757,40 3.946,41 3.934,42 5.648,43 3.912,44 4.622,45 4.796,46 3.852,47 3.956,48 5.651,49 3.894,50 4.679,51 4.905,52 3.642,53 3.88,54 5.649,55 3.76,56 0.064,57 0.683,58 7.664,59 3.534,60 7.566,61 4.223,62 0.311,63 1.098,64 15.465,65 5.929,66 19.806,67 7.172,68 0.466,69 1.293,70 20.641,71 7.198,72 30.39,73 9.476,74 0.343,75 1.287,76 21.13,77 7.151,78 28.683,79 9.598,80 0.432,81 1.22,82 19.33,83 6.799,84 33.816,85 8.624,86 0.411,87 1.25,88 18.355,89 6.584,90 24.967,91 8.096,92 0.312,93 1.265,94 18.66,95 7.575,96 22.93,97 9.542,98 0.342,99 1.236,100 22.648,101 8.828,102 33.791,103 12.047,104 2,105 43,106 0.277,107 0.65,108 0.779,109 0.841,110 0.841,111 0.841,112 3.306,113 0.853,114 -3.61,115 -3.59,116 -3.42,119 44.2,125 4,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,163 1,164 1,165 1,172 6,174 3,175 6,180 2,183 5,185 2,186 4,187 7,192 2,195 2,197 2,198 2,199 7,204 1,207 1,209 1,211 3,212 7,214 2,215 2,220 3,223 1,224 6,232 4,236 1,237 6,239 1,240 1,242 1,245 4,247 1,249 1,250 5,252 1,253 1,255 1,258 2,260 1,263 3,265 1,266 1,268 1,271 1,273 1,275 888,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.811,282 13.617,283 10.787,284 18.603,285 14.885,286 14.885,287 14.885,288 14.885,289 14.885,290 11.295,291 17.362,292 5.188,293 15.613,294 3.809,295 1.626,296 0.872,297 0.512,298 0.512,299 0.512,300 4.024,303 1,304 1,305 1,306 471,307 2.121,310 37.097,311 226.299,314 148.493,318 1.047,319 23.033,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 56.5,331 209,332 4.779,333 3.38,334 6.937,335 4.289,336 3.319,337 4.866,338 0.86,339 11.762,340 3.224,341 4.245,342 2.973,343 6.306,344 3.827,345 2.855,346 3.917,347 0.8,348 9.524,349 2.78,350 4.042,351 2.843,352 6.123,353 3.689,354 2.742,355 3.615,357 8.995,358 2.591,359 3.625,360 2.417,361 5.454,362 3.227,363 2.274,364 3.018,366 6.72,367 2.164,368 3.454,369 2.272,370 5.054,371 3.048,372 2.088,373 2.819,375 6.043,376 1.999,377 3.187,378 2.034,379 4.929,380 2.763,381 1.82,382 2.402,384 5.376,385 1.716,386 2.947,387 1.734,388 4.335,389 2.506,390 1.552,391 2.101,393 4.001,394 1.476,395 2.842,396 1.481,397 4.161,398 2.349,399 1.387,400 1.998,402 3.558,403 1.335,404 2.648,405 1.377,406 3.613,407 2.246,408 1.31,409 1.697,411 2.914,412 1.214,413 2.588,414 1.256,415 3.559,416 2.081,417 1.098,418 1.631,420 2.567,421 1.077,422 2.28,423 1.112,424 3.475,425 1.952,426 1,427 1.243,428 2.531,429 0.946,430 2,431 1.083,432 3.267,433 1.91,434 1,435 1,436 2.136,437 0.905,438 1.891,439 0.508,440 3.247,441 1.417,442 0.463,443 0.653,445 1.239,446 0.441,447 1.063,448 -0.243,449 2.736,450 0.612,451 -0.341,452 -0.451,454 -0.846,455 -0.322,456 0.928,457 -0.266,458 2.639,459 0.541,460 -0.41,461 -0.511,463 -1.005,464 -0.39,465 12.167,466 0.468,467 0.551,468 0.021,469 37.5,470 1.442,471 19,472 0.731,473 18.5,474 0.712,475 18.411,476 0.708,477 26.833,478 0.624,479 26.652,480 1.025,481 7.411,482 0.285,483 5.382,484 0.207,485 0.033,487 0.362,493 0.94,494 1.331,495 0.698,496 1.056,497 0.999,498 0.866,499 1.184,500 1.054,501 0.847,502 0.904,503 0.873,504 0.834,505 0.966,506 1.119,507 0.891,508 0.936,509 0.894,510 0.907,511 0.988,512 1.057,513 0.875,514 0.911,515 0.981,516 0.867,517 1.113,518 0.891,519 0.905,520 0.835,521 0.969,522 0.835,523 1.242,524 1.068,525 1.122,526 0.973,527 1.1,528 1.002,529 0.985,530 1.097,531 1.235,532 1.252,533 1.025,534 1.278,535 0.697,536 1.088,537 1.154,538 1.3,539 0.818,540 1.313,541 4,542 0.025,543 2.667,544 1.701,545 1.275,546 1.146,547 0.554,548 0.259,549 0.228,550 0.089,551 7600,552 19818,553 2.241,554 39.5,556 14,558 1,559 2,564 1.7,565 2.167,566 3.032,567 0.289,568 1,569 1,571 1,573 69.522,574 1.617,575 3.8,576 4.554,577 4.915,578 4.915,579 4.915,580 2.286,581 4.393,582 4.672,583 3.169,584 1029.87,585 8.147,586 12408.6,588 1,590 1,591 233.329,592 1.142,593 4.66,594 0.133,595 0.006,596 0.062,597 0.039,598 0.031,599 0.027,600 0.013,601 0.007,602 0.008,603 0.006,604 0.333,605 0.5,606 0.88,607 0.362,608 123.326,609 -0.087,610 -0.202,611 0.066,612 -0.079,613 -0.133,614 0.009,615 -0.054,616 0.021,617 0.032,618 0.05,619 0.017,620 0.052,621 0.087,622 -0.087,623 0.049,624 0.014,625 0.068,626 0.019,627 -0.059,628 -0.029,629 0.087,630 0.035,631 -0.033,632 0.081,633 -0.013,634 0.153,635 0.036,636 0.111,637 0.041,638 0.082,639 -0.166,640 0.007,641 -0.232,642 -0.032,643 -0.192,644 -0.114,645 -0.111,646 -0.061,647 -0.358,648 -0.274,649 -0.186,650 -0.343,651 0.067,652 -0.164,653 -0.183,654 -0.284,655 0.053,656 -0.28,657 1.101,658 2.508,659 0.962,660 19.935,661 1.011,662 1.126,663 2.385,664 5.688,665 0.686,666 3.434,667 3.784,668 4.127,669 4.477,670 4.796,671 4.956,672 5.215,673 5.425,674 5.525,675 5.624,676 5.249,677 0.667,678 347.41,679 3.434,680 4.99,681 5.872,682 6.777,683 7.681,684 8.597,685 9.513,686 10.436,687 11.359,688 12.285,689 11.6,693 1,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,722 1,726 1,731 43,733 21,734 1,735 30,737 47,738 19,739 15,740 2,741 4,746 5,747 8,761 15,762 4,777 1,778 1,780 1,781 17,782 7,783 2,784 7,790 5,794 0.6,795 2,805 1,806 1,811 1,812 4,815 2,839 1,840 3,848 26,849 1,854 4,856 1,859 1,870 4.7,874 1,875 1,877 12,878 7.8,879 5.583,880 2.574,881 4.165,882 1.525,883 1.06,884 3.731,885 12.103,886 3.726,887 4.404,888 5.11,889 5.829,890 6.501,891 6.989,892 7.581,893 8.135,894 8.52,895 8.952,896 0.667,897 44,898 9.584,900 4.179,901 7.628,902 18.421,904 15.507,905 2.128,906 55.333,910 176.567,911 103.86,912 86.378,914 20.507,917 103.86,918 197.074,919 86.378,921 13.396,922 89.755,923 77.535,924 34.666,925 7.164,926 164.795,928 176.567,929 190.238,930 20.507,933 178.894,934 9.507,935 11,937 28.995,938 108.558,939 50.357,941 176.567,942 106.885,943 103.86,946 176.567,947 37.955,948 69.029,950 103.761,951 176.567,952 106.885,953 103.86,955 0.582,956 0.345,957 0.202,958 0.119,959 24,960 9,961 0.043,962 2,963 2,964 1.16,965 3.774,966 242.994,967 0.16,968 25,969 118.211,974 15.558,975 6.236,976 2.713,977 2.871,978 106.885,979 13.155,980 13.909,982 6.008,984 2.948,986 32.897,987 387.312,988 40.5,999 43.465,1000 48.402,1001 0.298,1002 0.7,1003 0.839,1004 0.906,1005 0.906,1006 0.906,1007 4.965,1008 1.387,1009 5.855,1010 4.001,1011 4.466,1012 5.091,1013 1.235,1014 6.708,1015 4.38,1016 6.186,1017 1.31,1018 7.428,1019 3.558,1020 4.007,1021 4.956,1022 0.325,1023 7.662,1024 3.898,1025 7.511,1026 1.098,1027 9.106,1028 2.914,1029 6.084,1030 7.419,1031 0.938,1032 10.832,1033 5.929,1034 8.878,1035 1,1036 10.848,1037 2.567,1038 6.494,1039 8.187,1040 0.268,1041 12.661,1042 6.321,1043 10.283,1044 1,1045 12.631,1046 2.531,1047 8.017,1048 10.102,1049 0.732,1050 15.339,1051 7.804,1052 11.716,1053 0.463,1054 14.444,1055 2.136,1056 8.838,1057 11.302,1058 0.188,1059 17.525,1060 8.606,1061 13.171,1062 -0.341,1063 16.277,1064 1.239,1065 10.137,1066 12.998,1067 0.57,1068 20.041,1069 9.87,1070 3.319,1071 -0.41,1072 18.127,1073 -0.846,1074 11.151,1075 14.404,1076 0.125,1077 22.378,1078 10.864,1079 2.855,1080 11.762,1081 19.988,1082 -1.005,1083 12.365,1084 16.016,1085 0.438,1086 24.844,1087 12.047,1088 2.742,1089 9.524,1090 21.86,1091 4.866,1092 13.469,1093 17.517,1094 0.082,1095 27.245,1096 13.127,1097 2.274,1098 8.995,1099 23.74,1100 3.917,1101 14.654,1102 19.101,1103 0.334,1104 29.699,1105 14.285,1106 2.088,1107 6.72,1108 25.627,1109 3.615,1110 15.8,1111 20.643,1112 0.054,1113 32.13,1114 15.405,1115 1.82,1116 6.043,1117 27.519,1118 3.018,1119 16.98,1120 22.22,1121 0.252,1122 34.584,1123 16.557,1124 1.552,1125 5.376,1126 29.416,1127 2.819,1128 18.146,1129 23.782,1130 0.035,1131 37.03,1132 17.698,1133 6991,1134 11431,1135 20.978,1136 29.506,1137 45.956,1138 46.063,1139 46.388,1140 45.825,1141 45.817,1142 61.92,1143 3.32,1144 134.731,1145 43.734,1146 5.779,1147 5.38,1148 6.739,1149 5.393,1150 5.319,1151 7.866,1152 1.72,1153 19.31,1154 5.224,1155 6.541,1156 1.532,1157 1.535,1158 1.546,1159 1.527,1160 1.527,1161 2.064,1162 0.111,1163 4.491,1164 1.458,1165 4.184,1166 4.201,1167 4.171,1168 4.047,1169 5.285,1170 4.075,1171 3.901,1172 3.932,1173 3.848,1174 3.83,1175 5.107,1176 3.83,1177 3.768,1178 3.823,1179 3.671,1180 3.568,1181 4.786,1182 3.586,1183 3.537,1184 3.586,1185 3.464,1186 3.371,1187 4.608,1188 3.387,1189 3.136,1190 3.206,1191 3.072,1192 2.96,1193 4.471,1194 2.979,1195 3.111,1196 3.191,1197 2.87,1198 2.941,1199 4.307,1200 2.91,1201 3.003,1202 3.078,1203 2.866,1204 2.803,1205 4.032,1206 2.803,1207 2.931,1208 2.989,1209 2.845,1210 2.715,1211 3.805,1212 2.736,1213 0.159,1214 0.113,1215 0.231,1216 0.143,1217 0.111,1218 4.779,1219 0.162,1220 3.38,1221 0.029,1222 6.937,1223 0.392,1224 4.289,1225 0.107,1226 3.319,1227 4.866,1228 0.86,1229 11.762,1230 3.224,1231 1.961,1232 1.933,1233 2.034,1234 2.084,1235 1.218,1236 2.067,1237 1.854,1238 1.827,1239 1.948,1240 1.975,1241 1.103,1242 1.959,1243 1.752,1244 1.711,1245 1.918,1246 1.952,1247 1.03,1248 1.952,1249 1.547,1250 1.51,1251 1.65,1252 1.777,1253 0.825,1254 1.743,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.699,1260 1.429,1261 1.032,1262 0.994,1263 1.28,1264 1.323,1265 0.26,1266 1.317,1267 0.97,1268 0.922,1269 1.147,1270 1.208,1271 0.238,1272 1.185,1273 0.932,1274 0.876,1275 1.116,1276 1.115,1277 0.182,1278 1.101,1279 4.111,1281 5.451,1282 2.398,1283 7.002,1284 4.844,1285 8.648,1286 7.066,1287 10.344,1293 5.949,1295 2.842,1297 5.478,1300 2.172,1305 28.697,1306 69.522,1307 163.413,1308 195.82,1309 211.329,1310 211.329,1311 211.329,1312 30.764,1313 7.938,1314 90.3,1315 90.3,1316 29,1317 12.791,1318 4.459,1319 3.524,1320 33.517,1321 83,1322 75,1323 0.205,1324 171.675,1325 280.68,1326 410.648,1327 28842,1329 17.51,1330 0.673,1331 0.54,1332 17.51,1333 14.053,1334 12.793,1335 0.426,1336 0.284,1337 8.382,1338 12.219,1339 8.266,1340 6.764,1341 12.793,1342 8.533,1343 11.597,1344 0.27,1345 0.145,1346 11.597,1347 6.232,1348 10.241,1349 0.168,1350 0.074,1351 10.241,1352 4.528,1353 9.145,1354 0.105,1355 0.037,1356 9.145,1357 3.261,1358 7.995,1359 0.067,1360 0.019,1361 7.995,1362 2.274,1363 0.306,1364 80.708,1365 0.218,1366 24.334,1367 0.613,1368 146,1369 427.364,1370 162.577,1371 409.54,1372 579.14,1373 388,1374 177,1375 445.67,1376 195.576,1377 447.36,1378 668.71,1379 423,1380 6.854}
{0 CHEMBL537877,1 1.62,2 8.741,3 2.885,4 8.321,5 97.891,6 8.054,7 0.677,8 3.958,9 4.054,10 3.611,11 3.472,12 5.071,13 3.492,14 4.503,15 4.653,16 3.977,17 3.848,18 5.59,19 3.863,20 4.66,21 4.836,22 4.041,23 3.953,24 5.723,25 3.942,26 4.658,27 4.851,28 3.978,29 3.937,30 5.682,31 3.914,32 4.663,33 4.855,34 3.994,35 3.944,36 5.705,37 3.92,38 4.648,39 4.808,40 4,41 3.987,42 5.691,43 3.962,44 4.697,45 4.88,46 3.91,47 3.992,48 5.714,49 3.938,50 4.713,51 4.921,52 3.742,53 3.923,54 5.666,55 3.82,56 0.06,57 0.678,58 7.992,59 3.936,60 5.438,61 4.601,62 0.403,63 1.105,64 17.219,65 6.347,66 23.71,67 7.428,68 0.508,69 1.281,70 21.029,71 7.498,72 28.638,73 9.55,74 0.361,75 1.31,76 20.996,77 7.503,78 26.971,79 9.708,80 0.53,81 1.279,82 21.821,83 7.718,84 33.998,85 9.92,86 0.404,87 1.294,88 19.405,89 7.428,90 23.159,91 9.158,92 0.43,93 1.328,94 21.16,95 7.909,96 29.076,97 9.976,98 0.404,99 1.242,100 23.204,101 9.441,102 31.951,103 12.464,104 3,105 44,106 0.275,107 0.623,108 0.78,109 0.838,110 0.838,111 0.838,112 3.342,113 0.857,114 -3.84,115 -3.8,116 -3.61,119 44.4,124 1,125 4,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 8,183 5,186 4,187 9,195 2,198 2,199 8,207 1,211 5,212 7,220 3,223 1,224 6,232 4,236 2,237 7,245 4,249 2,250 6,258 2,262 1,263 4,271 1,275 984,276 19.024,277 19.024,278 19.024,279 19.024,280 19.024,281 16.734,282 14.768,283 11.29,284 19.632,285 15.312,286 15.312,287 15.312,288 15.312,289 15.312,290 11.718,291 19.513,292 5.334,293 16.19,294 3.872,295 1.822,296 0.895,297 0.55,298 0.55,299 0.55,300 4.059,303 1,304 1,305 1,306 530,307 2.345,310 39.456,311 239.054,314 157.377,318 1.196,319 23.095,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59,331 236,332 4.779,333 3.38,334 6.937,335 4.289,336 3.319,337 4.866,338 0.86,339 11.762,340 3.224,341 4.251,342 2.973,343 6.307,344 3.832,345 2.863,346 3.922,347 0.86,348 9.527,349 2.778,350 4.049,351 2.944,352 6.13,353 3.692,354 2.749,355 3.624,356 0.8,357 9.027,358 2.59,359 3.663,360 2.597,361 5.458,362 3.27,363 2.339,364 3.046,366 6.85,367 2.172,368 3.465,369 2.349,370 5.277,371 3.063,372 2.111,373 2.829,375 6.531,376 2.003,377 3.189,378 2.05,379 4.938,380 2.764,381 1.822,382 2.406,384 5.388,385 1.717,386 2.96,387 1.739,388 4.381,389 2.514,390 1.562,391 2.119,393 4.105,394 1.48,395 2.865,396 1.582,397 4.177,398 2.381,399 1.429,400 2.024,402 3.587,403 1.357,404 2.649,405 1.408,406 3.613,407 2.246,408 1.311,409 1.698,411 2.914,412 1.214,413 2.591,414 1.256,415 3.561,416 2.083,417 1.102,418 1.634,420 2.568,421 1.079,422 2.28,423 1.125,424 3.487,425 1.952,426 1,427 1.243,428 2.552,429 0.946,430 2,431 1.085,432 3.268,433 1.91,434 1,435 1,436 2.136,437 0.905,438 1.892,439 0.935,440 3.247,441 1.419,442 0.468,443 0.654,445 1.241,446 0.443,447 1.583,448 0.507,449 2.746,450 1.292,451 0.423,452 0.479,454 0.621,455 0.365,456 1.055,457 -0.262,458 2.705,459 0.595,460 -0.349,461 -0.458,463 -0.944,464 -0.327,465 12.6,466 0.467,467 0.513,468 0.019,469 38.25,470 1.417,471 19,472 0.704,473 19.25,474 0.713,475 19.789,476 0.733,477 28.2,478 0.627,479 27.66,480 1.024,481 7.673,482 0.284,483 5.658,484 0.21,485 0.04,487 0.349,493 0.878,494 1.427,495 0.674,496 1.169,497 0.794,498 0.933,499 1.307,500 0.97,501 0.871,502 0.815,503 1.08,504 0.767,505 0.995,506 1.103,507 0.871,508 0.899,509 0.877,510 0.868,511 0.966,512 1.114,513 0.924,514 0.978,515 1.058,516 0.936,517 0.954,518 0.899,519 0.872,520 0.812,521 0.967,522 0.822,523 1.033,524 1.19,525 1.067,526 1.074,527 1.033,528 1.063,529 1,530 0.993,531 1.21,532 1.101,533 1.206,534 1.159,535 0.686,536 1.1,537 1.099,538 1.313,539 0.808,540 1.298,541 4,542 0.041,543 2.667,544 1.701,545 1.315,546 1.209,547 0.554,548 0.274,549 0.248,550 0.114,551 8391,552 22269,553 2.231,554 40,556 17,558 1,564 1.71,565 2.16,566 3.119,567 -0.733,568 1,569 1,573 72.881,574 1.62,575 3.67,576 4.597,577 4.942,578 4.942,579 4.942,580 2.476,581 4.533,582 4.725,583 3.247,584 1139.76,585 8.254,586 14090.2,588 1,590 1,591 247.133,592 1.125,593 4.716,594 0.129,595 0.005,596 0.061,597 0.037,598 0.031,599 0.027,600 0.013,601 0.007,602 0.008,603 0.006,604 0.323,605 0.5,606 0.88,607 0.528,608 130.113,609 -0.042,610 -0.317,611 0.089,612 -0.171,613 -0.017,614 -0.043,615 -0.121,616 0.101,617 0.038,618 0.132,619 -0.042,620 0.116,621 0.044,622 -0.054,623 0.063,624 0.051,625 0.109,626 0.051,627 -0.081,628 -0.049,629 0.004,630 -0.036,631 -0.085,632 -0.004,633 0.043,634 0.14,635 0.079,636 0.142,637 0.054,638 0.116,639 -0.096,640 -0.112,641 -0.187,642 -0.12,643 -0.12,644 -0.156,645 -0.117,646 0.074,647 -0.309,648 -0.15,649 -0.261,650 -0.233,651 0.117,652 -0.173,653 -0.141,654 -0.294,655 0.048,656 -0.271,657 1.098,658 2.529,659 0.926,660 21.827,661 1.013,662 1.123,663 2.612,664 6.825,665 0.683,666 3.466,667 3.807,668 4.159,669 4.5,670 4.82,671 4.984,672 5.242,673 5.451,674 5.565,675 5.677,676 5.461,677 0.665,678 362.42,679 3.466,680 5.017,681 5.9,682 6.801,683 7.707,684 8.621,685 9.537,686 10.458,687 11.38,688 12.306,689 8.9,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,729 1,731 45,733 21,734 1,735 31,737 49,738 20,739 15,740 2,741 4,746 5,747 8,761 15,762 5,777 1,778 1,780 1,781 18,782 7,784 7,790 4,794 0.6,795 3,805 1,806 1,811 1,812 4,815 2,839 1,840 3,844 1,848 27,854 4,856 2,859 1,870 6.7,874 1,875 2,877 12.5,878 8.633,879 5.917,880 2.699,881 4.199,882 1.524,883 1.032,884 4.151,885 12.22,886 3.75,887 4.416,888 5.128,889 5.842,890 6.514,891 7.005,892 7.597,893 8.147,894 8.54,895 8.98,896 0.833,897 46,898 9.955,900 4.286,901 7.605,902 19.162,904 15.912,905 2.105,906 56.833,909 1,910 211.88,911 117.23,912 53.481,914 31.507,917 117.23,918 243.387,919 53.481,920 10.883,921 13.396,922 56.857,923 77.535,924 48.153,925 7.164,926 200.109,928 211.88,929 170.711,930 31.507,933 214.208,934 20.507,935 11,937 28.995,938 89.031,939 50.357,941 211.88,942 84.988,943 117.23,946 211.88,947 40.442,948 79.912,950 81.864,951 211.88,952 84.988,953 117.23,955 0.576,956 0.35,957 0.202,958 0.118,959 24,960 9,961 0.061,962 3,963 2,964 1.16,965 3.854,966 254.445,967 0.16,968 25,969 124.382,974 16.483,975 6.8,976 2.911,977 2.886,978 84.988,979 13.333,980 13.991,982 6.029,984 3.07,987 414.098,988 41.5,999 45.574,1000 50.528,1001 0.295,1002 0.668,1003 0.837,1004 0.9,1005 0.9,1006 0.9,1007 4.985,1008 1.429,1009 5.878,1010 4.105,1011 4.489,1012 5.103,1013 1.593,1014 6.73,1015 4.391,1016 6.2,1017 1.311,1018 7.451,1019 3.587,1020 4.007,1021 4.956,1022 0.325,1023 7.687,1024 3.886,1025 7.523,1026 1.102,1027 9.128,1028 2.914,1029 6.107,1030 7.428,1031 1.294,1032 10.852,1033 5.934,1034 8.89,1035 1,1036 10.869,1037 2.568,1038 6.509,1039 8.193,1040 0.268,1041 12.679,1042 6.318,1043 10.294,1044 1,1045 12.652,1046 2.552,1047 8.038,1048 10.108,1049 1.061,1050 15.352,1051 7.806,1052 11.727,1053 0.468,1054 14.463,1055 2.136,1056 8.854,1057 11.308,1058 0.188,1059 17.535,1060 8.605,1061 13.182,1062 0.423,1063 16.296,1064 1.241,1065 10.154,1066 13.003,1067 0.861,1068 20.049,1069 9.871,1070 3.319,1071 -0.349,1072 18.144,1073 0.621,1074 11.166,1075 14.408,1076 0.125,1077 22.383,1078 10.863,1079 2.863,1080 11.762,1081 20.004,1082 -0.944,1083 12.378,1084 16.02,1085 0.69,1086 24.848,1087 12.046,1088 2.749,1089 9.527,1090 21.874,1091 4.866,1092 13.48,1093 17.519,1094 0.082,1095 27.249,1096 13.126,1097 2.339,1098 9.027,1099 23.752,1100 3.922,1101 14.665,1102 19.103,1103 0.544,1104 29.702,1105 14.284,1106 2.111,1107 6.85,1108 25.637,1109 3.624,1110 15.809,1111 20.645,1112 0.054,1113 32.133,1114 15.404,1115 1.822,1116 6.531,1117 27.528,1118 3.046,1119 16.988,1120 22.221,1121 0.424,1122 34.585,1123 16.556,1124 1.562,1125 5.388,1126 29.424,1127 2.829,1128 18.154,1129 23.783,1130 0.035,1131 37.031,1132 17.696,1133 7764,1134 12794,1135 21.671,1136 30.716,1137 46.949,1138 47.669,1139 47.753,1140 46.951,1141 46.997,1142 63.092,1143 5.04,1144 137.62,1145 44.545,1146 5.779,1147 5.38,1148 6.739,1149 5.393,1150 5.319,1151 7.866,1152 1.72,1153 19.31,1154 5.224,1155 6.898,1156 1.514,1157 1.538,1158 1.54,1159 1.515,1160 1.516,1161 2.035,1162 0.163,1163 4.439,1164 1.437,1165 4.184,1166 4.201,1167 4.171,1168 4.047,1169 5.283,1170 4.075,1171 3.9,1172 3.921,1173 3.85,1174 3.824,1175 4.896,1176 3.827,1177 3.768,1178 3.822,1179 3.672,1180 3.568,1181 4.729,1182 3.585,1183 3.539,1184 3.585,1185 3.466,1186 3.371,1187 4.602,1188 3.387,1189 3.255,1190 3.314,1191 3.117,1192 3.001,1193 4.404,1194 3.02,1195 3.111,1196 3.206,1197 2.98,1198 2.941,1199 4.279,1200 2.91,1201 3.082,1202 3.116,1203 2.866,1204 2.9,1205 4.032,1206 2.906,1207 2.932,1208 2.99,1209 2.859,1210 2.715,1211 3.806,1212 2.736,1213 0.154,1214 0.109,1215 0.224,1216 0.138,1217 0.107,1218 4.779,1219 0.157,1220 3.38,1221 0.028,1222 6.937,1223 0.379,1224 4.289,1225 0.104,1226 3.319,1227 4.866,1228 0.86,1229 11.762,1230 3.224,1231 1.957,1232 1.931,1233 2.027,1234 2.082,1235 1.218,1236 2.063,1237 1.849,1238 1.826,1239 1.944,1240 1.975,1241 1.104,1242 1.958,1243 1.75,1244 1.711,1245 1.917,1246 1.947,1247 1.031,1248 1.947,1249 1.547,1250 1.51,1251 1.652,1252 1.776,1253 0.825,1254 1.742,1255 1.198,1256 1.13,1257 1.565,1258 1.507,1259 0.7,1260 1.526,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.573,1266 1.429,1267 0.99,1268 0.967,1269 1.15,1270 1.221,1271 0.259,1272 1.189,1273 0.938,1274 0.897,1275 1.118,1276 1.115,1277 0.237,1278 1.101,1279 4.143,1281 5.476,1282 2.398,1283 7.026,1284 4.844,1285 8.67,1286 7.066,1287 10.364,1289 1.65,1295 2.846,1297 10.847,1300 2.18,1305 29.918,1306 72.881,1307 165.163,1308 206.869,1309 222.379,1310 222.379,1311 222.379,1312 31.57,1313 8.021,1314 73.51,1315 73.51,1316 29,1317 12.812,1318 4.459,1319 3.524,1320 35.375,1321 90,1322 94,1323 0.2,1324 178.47,1325 295.77,1326 427.226,1327 32091,1329 18.217,1330 0.675,1331 0.551,1332 18.217,1333 14.883,1334 13.331,1335 0.43,1336 0.286,1337 8.673,1338 12.637,1339 8.518,1340 6.988,1341 13.331,1342 8.857,1343 11.766,1344 0.267,1345 0.144,1346 11.766,1347 6.338,1348 10.665,1349 0.169,1350 0.075,1351 10.665,1352 4.711,1353 9.367,1354 0.105,1355 0.038,1356 9.367,1357 3.345,1358 8.228,1359 0.067,1360 0.019,1361 8.228,1362 2.35,1363 0.3,1364 84.762,1365 0.215,1366 25.182,1367 0.593,1368 150,1369 465.787,1370 168.429,1371 437.239,1372 615.42,1373 416,1374 182,1375 467.37,1376 202.401,1377 467.988,1378 698.5,1379 441,1380 7}
{0 CHEMBL537878,1 1.541,2 12.706,3 3.941,4 15.528,5 128.051,6 7.295,7 0.538,8 4.265,9 4.379,10 3.838,11 3.767,12 5.262,13 3.762,14 4.858,15 5.036,16 4.195,17 4.17,18 5.82,19 4.146,20 5.099,21 5.323,22 4.241,23 4.296,24 5.999,25 4.232,26 5.077,27 5.317,28 4.168,29 4.261,30 5.942,31 4.185,32 5.047,33 5.276,34 4.193,35 4.23,36 5.968,37 4.172,38 4.989,39 5.184,40 4.219,41 4.264,42 5.936,43 4.218,44 5.003,45 5.192,46 4.182,47 4.311,48 5.963,49 4.24,50 5.082,51 5.306,52 4.083,53 4.309,54 5.979,55 4.193,56 0.008,57 0.954,58 13.535,59 5.75,60 6.218,61 7.61,62 0.373,63 1.58,64 27.713,65 9.395,66 27.588,67 12.814,68 0.643,69 1.877,70 37.41,71 12.153,72 41.972,73 17.461,74 0.363,75 1.844,76 36.484,77 12.301,78 34.71,79 17.779,80 0.608,81 1.742,82 36.024,83 11.844,84 46.989,85 16.662,86 0.46,87 1.739,88 32.37,89 10.953,90 35.639,91 15.156,92 0.391,93 1.795,94 31.935,95 11.556,96 36.573,97 15.972,98 0.438,99 1.826,100 35.807,101 13.659,102 43.52,103 19.111,105 54,106 0.245,107 0.548,108 0.728,109 0.834,110 0.834,111 0.834,112 3.561,113 0.937,114 -4.37,115 -4.31,116 -4.06,119 41.3,121 3,125 8,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 8,174 3,175 10,183 6,186 5,187 10,195 2,198 2,199 8,207 1,211 5,212 11,220 3,223 1,224 9,232 4,236 2,237 8,245 8,249 4,250 6,258 8,262 1,263 4,271 5,275 2230,276 23.999,277 23.999,278 23.999,279 23.999,280 23.999,281 21.708,282 22.175,283 14.537,284 24.684,285 19.368,286 19.368,287 19.368,288 19.368,289 19.368,290 15.796,291 28.755,292 7.004,293 20.462,294 4.436,295 2.526,296 1.393,297 0.73,298 0.73,299 0.73,300 4.288,304 1,305 1,306 982,307 2.828,310 57.35,311 440.872,314 223.855,318 1.993,319 26.594,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 73.5,331 432,332 4.779,333 3.381,334 6.937,335 4.289,336 3.319,337 4.866,338 0.86,339 11.762,340 3.224,341 4.252,342 2.982,343 6.307,344 3.834,345 2.864,346 3.923,347 0.86,348 9.528,349 2.779,350 4.051,351 2.973,352 6.13,353 3.694,354 2.751,355 3.625,356 0.8,357 9.032,358 2.591,359 3.676,360 2.826,361 5.459,362 3.452,363 2.527,364 3.051,365 0.8,366 7.013,367 2.338,368 3.517,369 2.613,370 5.353,371 3.277,372 2.347,373 2.831,375 6.885,376 2.177,377 3.463,378 2.352,379 5.288,380 3.066,381 2.115,382 2.518,384 6.579,385 2.005,386 3.189,387 2.054,388 4.938,389 2.765,390 1.822,391 2.406,393 5.391,394 1.718,395 2.967,396 1.761,397 4.39,398 2.561,399 1.601,400 2.126,402 4.158,403 1.534,404 2.873,405 1.71,406 4.18,407 2.5,408 1.537,409 2.03,411 3.606,412 1.473,413 2.65,414 1.531,415 3.678,416 2.382,417 1.426,418 1.699,420 3.217,421 1.359,422 2.595,423 1.416,424 3.613,425 2.246,426 1.311,427 1.638,428 2.914,429 1.214,430 2.548,431 1.264,432 3.561,433 2.086,434 1.111,435 1.55,436 2.596,437 1.081,438 2.28,439 1.256,440 3.494,441 1.984,442 1,443 1.243,445 2.566,446 0.983,447 2.095,448 1.109,449 3.301,450 1.952,451 1,452 1.075,454 2.212,455 0.946,456 2,457 1.082,458 3.257,459 1.939,460 1,461 1,463 2.136,464 0.931,465 16,466 0.471,467 0.582,468 0.017,469 43,470 1.265,471 19,472 0.559,473 24,474 0.706,475 30.906,476 0.909,477 36.8,478 0.584,479 32.268,480 0.949,481 8.171,482 0.24,483 8.677,484 0.255,487 0.3,493 0.873,494 1.512,495 0.765,496 1.232,497 0.744,498 1.021,499 1.276,500 1.091,501 0.967,502 0.964,503 0.98,504 0.919,505 1.017,506 1.008,507 0.92,508 0.897,509 0.851,510 0.894,511 0.902,512 1.054,513 0.878,514 0.983,515 0.914,516 0.929,517 1.12,518 0.879,519 0.846,520 0.804,521 1.06,522 0.792,523 1.238,524 1.07,525 1,526 0.947,527 1.173,528 0.933,529 1.055,530 1.1,531 1.151,532 1.135,533 1.253,534 1.145,535 0.686,536 1.036,537 1.058,538 1.207,539 0.915,540 1.193,541 4.5,542 0.061,543 2.889,544 1.764,545 1.306,546 1.327,547 0.634,548 0.281,549 0.342,550 0.141,551 18293,552 39913,553 2.253,554 46,555 2,556 22,558 1,561 4,564 1.762,565 2.217,566 3.574,567 -0.758,573 97.111,574 1.541,575 3.451,576 4.584,577 5.247,578 5.247,579 5.247,580 3.023,581 4.793,582 5.053,583 3.788,584 2124.9,585 8.88,586 32242.2,591 376.569,592 0.874,593 5.06,594 0.115,595 0.002,596 0.053,597 0.032,598 0.026,599 0.025,600 0.012,601 0.005,602 0.008,603 0.004,604 0.283,605 0.17,606 0.88,608 181.583,609 -0.005,610 -0.316,611 0.099,612 -0.15,613 0.073,614 -0.031,615 -0.078,616 0.026,617 -0.004,618 0.018,619 0.06,620 0.018,621 0.08,622 0.015,623 0.071,624 0.071,625 0.172,626 0.066,627 0.003,628 -0.044,629 0.099,630 -0.007,631 0.079,632 0.052,633 0.056,634 0.11,635 0.161,636 0.168,637 0.116,638 0.173,639 -0.09,640 -0.004,641 -0.03,642 0.042,643 -0.071,644 0.023,645 -0.092,646 -0.003,647 -0.217,648 -0.128,649 -0.202,650 -0.177,651 0.117,652 -0.036,653 -0.115,654 -0.183,655 0.006,656 -0.182,657 1.09,658 2.614,659 0.912,660 39.021,661 1.001,662 1.129,663 3.144,664 9.884,665 0.659,666 3.689,667 4.007,668 4.331,669 4.654,670 4.956,671 5.094,672 5.347,673 5.561,674 5.69,675 5.829,676 7.484,677 0.628,678 459.6,679 3.689,680 5.231,681 6.098,682 6.984,683 7.872,684 8.771,685 9.672,686 10.581,687 11.49,688 12.405,689 7.9,692 1,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,729 1,731 63,733 21,734 1,735 39,737 68,738 26,739 15,740 2,741 4,746 6,747 9,755 3,758 3,761 15,762 11,780 1,781 29,782 8,784 8,790 5,794 0.667,795 3,805 1,806 1,811 1,812 5,815 2,836 1,839 1,840 4,848 34,854 11,856 2,859 2,870 4.8,874 1,875 2,877 15.333,878 11.333,879 7.417,880 4.165,881 4.365,882 1.502,883 1.021,884 6.322,885 13.066,886 3.922,887 4.53,888 5.197,889 5.888,890 6.546,891 7.029,892 7.62,893 8.171,894 8.568,895 9.014,896 1,897 55,898 12.623,900 5.43,901 7.48,902 24.878,904 21.035,905 1.98,906 67.333,909 1,910 341.362,911 124.86,912 56.605,914 31.507,917 124.86,918 372.869,919 56.605,921 31.909,922 56.857,923 77.535,924 51.277,925 7.164,926 329.591,928 341.362,929 181.465,930 31.507,933 296.605,934 67.592,935 11,937 50.633,938 78.148,939 50.357,941 341.362,942 88.112,943 124.86,946 341.362,947 58.955,948 72.154,950 81.864,951 341.362,952 88.112,953 124.86,955 0.572,956 0.337,957 0.194,958 0.111,959 28,960 10,961 0.088,962 6,963 2,964 1.129,965 4.613,966 337.262,967 0.129,968 31,969 164.974,974 21.783,975 9.867,976 4.638,977 2.928,978 88.112,979 13.695,980 14.268,982 6.114,984 3.203,987 554.334,988 49.5,999 63.094,1000 71.102,1001 0.258,1002 0.577,1003 0.767,1004 0.878,1005 0.878,1006 0.878,1007 5.16,1008 1.601,1009 6.057,1010 5.391,1011 4.691,1012 5.218,1013 1.771,1014 6.872,1015 4.591,1016 6.34,1017 1.537,1018 7.603,1019 4.158,1020 4.111,1021 4.997,1022 0.57,1023 7.758,1024 3.972,1025 7.641,1026 1.426,1027 9.256,1028 3.606,1029 6.271,1030 7.474,1031 1.413,1032 10.924,1033 6.085,1034 8.985,1035 1.311,1036 10.976,1037 3.217,1038 6.594,1039 8.21,1040 0.479,1041 12.718,1042 6.384,1043 10.372,1044 1.111,1045 12.741,1046 2.914,1047 8.159,1048 10.125,1049 1.15,1050 15.385,1051 7.907,1052 11.79,1053 1,1054 14.537,1055 2.596,1056 8.921,1057 11.314,1058 0.346,1059 17.554,1060 8.652,1061 13.232,1062 1,1063 16.357,1064 2.566,1065 10.236,1066 13.008,1067 0.93,1068 20.063,1069 9.932,1070 3.319,1071 1,1072 18.194,1073 2.212,1074 11.216,1075 14.41,1076 0.237,1077 22.392,1078 10.895,1079 2.864,1080 11.762,1081 20.045,1082 2.136,1083 12.432,1084 16.021,1085 0.742,1086 24.854,1087 12.082,1088 2.751,1089 9.528,1090 21.908,1091 4.866,1092 13.515,1093 17.52,1094 0.158,1095 27.252,1096 13.146,1097 2.527,1098 9.032,1099 23.78,1100 3.923,1101 14.698,1102 19.103,1103 0.583,1104 29.704,1105 14.303,1106 2.347,1107 7.013,1108 25.66,1109 3.625,1110 15.833,1111 20.645,1112 0.104,1113 32.134,1114 15.416,1115 2.115,1116 6.885,1117 27.546,1118 3.051,1119 17.009,1120 22.222,1121 0.452,1122 34.586,1123 16.567,1124 1.822,1125 6.579,1126 29.438,1127 2.831,1128 18.169,1129 23.783,1130 0.068,1131 37.032,1132 17.704,1133 16536,1134 24741,1135 27.622,1136 41.529,1137 58.498,1138 58.988,1139 58.609,1140 58.453,1141 58.388,1142 74.465,1143 6.64,1144 165.937,1145 55.394,1146 5.779,1147 5.381,1148 6.739,1149 5.393,1150 5.319,1151 7.866,1152 1.72,1153 19.31,1154 5.224,1156 1.5,1157 1.513,1158 1.503,1159 1.499,1160 1.497,1161 1.909,1162 0.17,1163 4.255,1164 1.42,1165 4.185,1166 4.203,1167 4.172,1168 4.049,1169 5.283,1170 4.076,1171 3.915,1172 3.951,1173 3.858,1174 3.828,1175 4.886,1176 3.831,1177 3.84,1178 3.896,1179 3.712,1180 3.691,1181 4.718,1182 3.685,1183 3.768,1184 3.822,1185 3.672,1186 3.568,1187 4.602,1188 3.586,1189 3.542,1190 3.588,1191 3.466,1192 3.372,1193 4.402,1194 3.388,1195 3.428,1196 3.493,1197 3.267,1198 3.242,1199 4.328,1200 3.237,1201 3.111,1202 3.206,1203 3.045,1204 2.941,1205 4.207,1206 2.958,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.032,1212 2.91,1213 0.123,1214 0.087,1215 0.178,1216 0.11,1217 0.085,1218 4.779,1219 0.125,1220 3.381,1221 0.022,1222 6.937,1223 0.302,1224 4.289,1225 0.083,1226 3.319,1227 4.866,1228 0.86,1229 11.762,1230 3.224,1231 1.958,1232 1.932,1233 2.06,1234 2.084,1235 1.412,1236 2.066,1237 1.854,1238 1.828,1239 2.025,1240 2.024,1241 1.218,1242 2.036,1243 1.825,1244 1.762,1245 1.944,1246 1.975,1247 1.11,1248 1.957,1249 1.75,1250 1.71,1251 1.917,1252 1.943,1253 1.041,1254 1.945,1255 1.548,1256 1.511,1257 1.712,1258 1.778,1259 0.992,1260 1.746,1261 1.419,1262 1.353,1263 1.64,1264 1.64,1265 0.825,1266 1.662,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.698,1278 1.429,1279 4.369,1281 5.687,1282 2.398,1283 7.213,1284 4.844,1285 8.833,1286 7.066,1287 10.504,1295 10.771,1297 11.664,1300 4.69,1305 39.573,1306 97.111,1307 217.426,1308 288.82,1309 330.569,1310 330.569,1311 330.569,1312 44.138,1313 8.701,1314 76.75,1315 76.75,1316 35,1317 12.919,1318 4.459,1319 3.524,1320 45.065,1321 148,1322 184,1323 0.143,1324 235.425,1325 398.21,1326 566.196,1327 84089,1329 22.744,1330 0.669,1331 0.567,1332 22.744,1333 19.28,1334 16.848,1335 0.432,1336 0.312,1337 11.979,1338 16.07,1339 11.82,1340 9.663,1341 16.848,1342 12.186,1343 14.793,1344 0.274,1345 0.165,1346 14.793,1347 8.885,1348 13.037,1349 0.174,1350 0.088,1351 13.037,1352 6.6,1353 11.43,1354 0.11,1355 0.046,1356 11.43,1357 4.783,1358 9.867,1359 0.07,1360 0.024,1361 9.867,1362 3.383,1363 0.225,1364 106.273,1365 0.19,1366 31.439,1367 0.393,1368 186,1369 521.432,1370 207.175,1371 490.454,1372 692.52,1373 468,1374 222,1375 526.392,1376 245.618,1377 524.269,1378 784.5,1379 497,1380 6.77}
{0 CHEMBL538334,1 1.601,2 12.706,3 2.711,4 7.35,5 124.984,6 7.567,7 0.538,8 4.248,9 4.354,10 3.849,11 3.724,12 5.278,13 3.736,14 4.837,15 5.004,16 4.202,17 4.112,18 5.841,19 4.113,20 5.041,21 5.246,22 4.243,23 4.243,24 5.994,25 4.2,26 5.02,27 5.242,28 4.17,29 4.23,30 5.918,31 4.166,32 5.041,33 5.267,34 4.196,35 4.205,36 5.978,37 4.157,38 4.959,39 5.141,40 4.223,41 4.236,42 5.947,43 4.201,44 4.964,45 5.143,46 4.183,47 4.291,48 5.943,49 4.226,50 5.075,51 5.296,52 4.091,53 4.284,54 5.99,55 4.177,56 0.056,57 0.925,58 12.514,59 5.466,60 6.273,61 6.955,62 0.531,63 1.505,64 26.663,65 8.694,66 31.75,67 11.288,68 0.825,69 1.76,70 34.648,71 10.999,72 44.854,73 15.249,74 0.419,75 1.759,76 33.311,77 11.617,78 33.683,79 16.419,80 0.746,81 1.704,82 35.834,83 11.535,84 50.79,85 16.008,86 0.676,87 1.681,88 30.602,89 10.35,90 40.154,91 13.903,92 0.414,93 1.751,94 29.09,95 11.084,96 33.145,97 15.018,98 0.526,99 1.79,100 35.074,101 13.378,102 45.556,103 18.533,105 54,106 0.256,107 0.551,108 0.689,109 0.792,110 0.833,111 0.833,112 3.561,113 0.905,114 -3.43,115 -3.41,116 -3.26,119 41,125 10,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 8,183 5,186 6,187 9,195 2,198 2,199 8,207 1,211 5,212 9,220 3,223 2,224 8,232 4,236 2,237 8,245 4,249 4,250 8,258 2,262 1,263 6,271 1,275 2230,276 23.999,277 23.999,278 23.999,279 23.999,280 23.999,281 21.708,282 22.951,283 14.537,284 24.844,285 19.368,286 19.368,287 19.368,288 19.368,289 19.368,290 15.796,291 30.296,292 7.004,293 20.684,294 4.329,295 2.485,296 1.618,297 0.976,298 0.721,299 0.721,300 4.288,304 1,305 1,306 982,307 2.828,310 57.35,311 440.872,314 223.855,318 1.993,319 29.885,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 74.5,331 432,332 4.779,333 3.381,334 6.937,335 4.289,336 3.319,337 4.866,338 0.86,339 11.762,340 3.224,341 4.252,342 2.986,343 6.307,344 3.834,345 2.864,346 3.923,347 0.86,348 9.528,349 2.779,350 4.051,351 2.973,352 6.13,353 3.694,354 2.751,355 3.625,356 0.86,357 9.032,358 2.591,359 3.676,360 2.873,361 5.459,362 3.44,363 2.527,364 3.051,365 0.8,366 7.013,367 2.304,368 3.517,369 2.62,370 5.353,371 3.275,372 2.347,373 2.831,374 0.8,375 6.885,376 2.174,377 3.463,378 2.354,379 5.288,380 3.066,381 2.115,382 2.518,384 6.579,385 2.005,386 3.189,387 2.169,388 4.938,389 2.765,390 1.822,391 2.406,393 5.391,394 1.718,395 2.967,396 2.052,397 4.39,398 2.532,399 1.601,400 2.126,402 4.158,403 1.49,404 2.873,405 1.746,406 4.18,407 2.456,408 1.537,409 2.03,411 3.606,412 1.408,413 2.65,414 1.665,415 3.678,416 2.35,417 1.426,418 1.699,420 3.217,421 1.304,422 2.595,423 1.427,424 3.613,425 2.246,426 1.311,427 1.638,428 2.914,429 1.214,430 2.548,431 1.302,432 3.561,433 2.085,434 1.111,435 1.55,436 2.596,437 1.08,438 2.28,439 1.256,440 3.494,441 1.952,442 1,443 1.243,445 2.566,446 0.946,447 2.095,448 1.256,449 3.301,450 1.952,451 1,452 1.075,454 2.212,455 0.946,456 2,457 1.11,458 3.257,459 1.911,460 1,461 1,463 2.136,464 0.905,465 15.833,466 0.466,467 0.582,468 0.017,469 43.5,470 1.279,471 19,472 0.559,473 24.5,474 0.721,475 29.606,476 0.871,477 36.967,478 0.606,479 33.569,480 0.987,481 8.67,482 0.255,483 8.179,484 0.241,487 0.303,493 0.887,494 1.554,495 0.729,496 1.268,497 0.775,498 1.016,499 1.405,500 1.046,501 0.985,502 0.895,503 1.139,504 0.86,505 1.085,506 0.971,507 0.97,508 0.856,509 0.962,510 0.886,511 0.797,512 1.129,513 0.889,514 1.068,515 0.862,516 1.002,517 1.056,518 0.854,519 0.84,520 0.776,521 1.033,522 0.773,523 1.125,524 1.049,525 1.02,526 0.921,527 1.119,528 0.938,529 0.843,530 1.157,531 1.135,532 1.208,533 1.076,534 1.211,535 0.633,536 1.046,537 1.032,538 1.229,539 0.825,540 1.21,541 4.5,542 0.061,543 2.889,544 1.764,545 1.306,546 1.327,547 0.634,548 0.281,549 0.342,550 0.141,551 18293,552 44821,553 2.253,554 44.3,556 26,558 1,564 1.762,565 2.217,566 3.574,567 -0.729,569 1,573 97.687,574 1.601,575 3.446,576 4.313,577 4.955,578 5.209,579 5.209,580 3.023,581 4.793,582 5.053,583 3.788,584 2124.9,585 8.88,586 32242.2,591 361.775,592 0.874,593 5.06,594 0.115,595 0.002,596 0.053,597 0.032,598 0.026,599 0.025,600 0.012,601 0.005,602 0.008,603 0.004,604 0.283,605 0.33,606 0.75,608 181.583,609 -0.03,610 -0.36,611 0.1,612 -0.189,613 0.029,614 -0.048,615 -0.169,616 0.061,617 -0.027,618 0.073,619 -0.054,620 0.054,621 0.018,622 0.067,623 0.012,624 0.108,625 0.074,626 0.061,627 -0.003,628 -0.103,629 0.059,630 -0.073,631 0.047,632 -0.008,633 0.013,634 0.125,635 0.163,636 0.196,637 0.063,638 0.201,639 -0.061,640 0.025,641 -0.074,642 0.07,643 -0.081,644 0.012,645 -0.072,646 -0.039,647 -0.249,648 -0.187,649 -0.192,650 -0.235,651 0.105,652 -0.052,653 -0.099,654 -0.201,655 0.025,656 -0.188,657 1.098,658 2.605,659 0.912,660 39.021,661 1.009,662 1.129,663 2.2,664 4.842,665 0.659,666 3.689,667 4.007,668 4.331,669 4.654,670 4.956,671 5.094,672 5.347,673 5.561,674 5.69,675 5.829,676 7.484,677 0.635,678 461.57,679 3.689,680 5.231,681 6.098,682 6.984,683 7.872,684 8.771,685 9.672,686 10.581,687 11.49,688 12.405,689 8.2,692 1,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,729 1,731 61,733 21,734 1,735 39,737 66,738 25,739 15,740 2,741 4,746 6,747 9,761 15,762 10,778 1,780 1,781 27,782 9,784 9,790 5,794 0.667,795 4,805 1,806 1,811 1,812 5,815 2,836 1,839 2,840 4,848 34,854 10,856 3,859 2,870 6.6,874 2,875 2,877 15.333,878 11,879 7.417,880 3.832,881 4.365,882 1.502,883 1.017,884 6.296,885 13.066,886 3.922,887 4.53,888 5.197,889 5.888,890 6.546,891 7.029,892 7.62,893 8.171,894 8.568,895 9.014,896 1,897 55,898 12.603,900 5.415,901 7.539,902 24.596,904 20.575,905 2.039,906 69.333,909 1,910 317.82,911 126.441,912 56.605,914 42.507,917 126.441,918 360.327,919 56.605,921 33.49,922 56.857,923 88.535,924 51.277,925 7.164,926 306.049,928 317.82,929 183.046,930 42.507,933 320.148,934 20.507,935 22,937 52.214,938 78.148,939 50.357,941 317.82,942 99.112,943 126.441,946 317.82,947 60.536,948 72.154,950 92.864,951 317.82,952 99.112,953 126.441,955 0.572,956 0.337,957 0.194,958 0.111,959 28,960 10,961 0.091,962 6,963 2,964 1.129,965 4.613,966 337.262,967 0.129,968 31,969 164.974,974 21.746,975 9.843,976 4.624,977 2.887,978 99.112,979 13.586,980 14.232,982 6.105,984 3.124,987 543.373,988 49.5,999 61.538,1000 68.896,1001 0.27,1002 0.581,1003 0.727,1004 0.836,1005 0.878,1006 0.878,1007 5.16,1008 1.601,1009 6.057,1010 5.391,1011 4.691,1012 5.218,1013 1.996,1014 6.872,1015 4.575,1016 6.34,1017 1.537,1018 7.603,1019 4.158,1020 4.111,1021 4.997,1022 0.57,1023 7.758,1024 3.972,1025 7.641,1026 1.426,1027 9.256,1028 3.606,1029 6.271,1030 7.474,1031 1.649,1032 10.924,1033 6.067,1034 8.985,1035 1.311,1036 10.976,1037 3.217,1038 6.594,1039 8.21,1040 0.479,1041 12.718,1042 6.384,1043 10.372,1044 1.111,1045 12.741,1046 2.914,1047 8.159,1048 10.125,1049 1.378,1050 15.385,1051 7.892,1052 11.79,1053 1,1054 14.537,1055 2.596,1056 8.921,1057 11.314,1058 0.346,1059 17.554,1060 8.651,1061 13.232,1062 1,1063 16.357,1064 2.566,1065 10.236,1066 13.008,1067 1.142,1068 20.063,1069 9.922,1070 3.319,1071 1,1072 18.194,1073 2.212,1074 11.216,1075 14.41,1076 0.237,1077 22.392,1078 10.893,1079 2.864,1080 11.762,1081 20.045,1082 2.136,1083 12.432,1084 16.021,1085 0.933,1086 24.854,1087 12.075,1088 2.751,1089 9.528,1090 21.908,1091 4.866,1092 13.515,1093 17.52,1094 0.158,1095 27.252,1096 13.144,1097 2.527,1098 9.032,1099 23.78,1100 3.923,1101 14.698,1102 19.103,1103 0.751,1104 29.704,1105 14.299,1106 2.347,1107 7.013,1108 25.66,1109 3.625,1110 15.833,1111 20.645,1112 0.104,1113 32.134,1114 15.415,1115 2.115,1116 6.885,1117 27.546,1118 3.051,1119 17.009,1120 22.222,1121 0.596,1122 34.586,1123 16.565,1124 1.822,1125 6.579,1126 29.438,1127 2.831,1128 18.169,1129 23.783,1130 0.068,1131 37.032,1132 17.702,1133 16536,1134 26085,1135 27.622,1136 40.222,1137 58.498,1138 59.234,1139 58.609,1140 58.44,1141 58.388,1142 74.465,1143 8.36,1144 165.937,1145 54.854,1146 5.779,1147 5.381,1148 6.739,1149 5.393,1150 5.319,1151 7.866,1152 1.72,1153 19.31,1154 5.224,1156 1.5,1157 1.519,1158 1.503,1159 1.498,1160 1.497,1161 1.909,1162 0.214,1163 4.255,1164 1.407,1165 4.185,1166 4.202,1167 4.172,1168 4.048,1169 5.283,1170 4.076,1171 3.911,1172 3.936,1173 3.857,1174 3.827,1175 4.886,1176 3.83,1177 3.799,1178 3.857,1179 3.683,1180 3.584,1181 4.72,1182 3.598,1183 3.768,1184 3.822,1185 3.669,1186 3.568,1187 4.629,1188 3.586,1189 3.539,1190 3.584,1191 3.464,1192 3.37,1193 4.594,1194 3.385,1195 3.387,1196 3.441,1197 3.235,1198 3.17,1199 4.387,1200 3.174,1201 3.111,1202 3.206,1203 3.04,1204 2.941,1205 4.263,1206 2.953,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.032,1212 2.91,1213 0.123,1214 0.087,1215 0.178,1216 0.11,1217 0.085,1218 4.779,1219 0.125,1220 3.381,1221 0.022,1222 6.937,1223 0.302,1224 4.289,1225 0.083,1226 3.319,1227 4.866,1228 0.86,1229 11.762,1230 3.224,1231 1.958,1232 1.932,1233 2.029,1234 2.083,1235 1.255,1236 2.065,1237 1.851,1238 1.827,1239 1.961,1240 1.993,1241 1.218,1242 1.986,1243 1.754,1244 1.713,1245 1.935,1246 1.975,1247 1.105,1248 1.957,1249 1.728,1250 1.668,1251 1.917,1252 1.936,1253 1.033,1254 1.937,1255 1.546,1256 1.51,1257 1.665,1258 1.775,1259 0.917,1260 1.742,1261 1.352,1262 1.293,1263 1.629,1264 1.602,1265 0.825,1266 1.615,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.698,1278 1.429,1279 4.369,1281 5.687,1282 2.398,1283 7.213,1284 4.844,1285 8.833,1286 7.066,1287 10.504,1295 7.812,1297 17.032,1300 4.555,1305 38.761,1306 97.687,1307 210.201,1308 263.072,1309 302.265,1310 317.775,1311 317.775,1312 43.897,1313 8.701,1314 85.98,1315 85.98,1316 35,1317 12.919,1318 4.459,1319 3.524,1320 45.065,1321 148,1322 184,1323 0.143,1324 229.828,1325 389.7,1326 552.542,1327 84089,1329 22.744,1330 0.669,1331 0.558,1332 22.744,1333 18.982,1334 16.848,1335 0.432,1336 0.302,1337 11.517,1338 15.925,1339 11.38,1340 9.244,1341 16.848,1342 11.763,1343 14.793,1344 0.274,1345 0.156,1346 14.793,1347 8.436,1348 13.037,1349 0.174,1350 0.083,1351 13.037,1352 6.255,1353 11.43,1354 0.11,1355 0.043,1356 11.43,1357 4.425,1358 9.867,1359 0.07,1360 0.022,1361 9.867,1362 3.048,1363 0.225,1364 107.273,1365 0.19,1366 31.439,1367 0.393,1368 186,1369 565.168,1370 210.053,1371 523.439,1372 731.88,1373 500,1374 222,1375 546.028,1376 248.387,1377 541.891,1378 810.98,1379 513,1380 7.796}
{0 CHEMBL538346,1 1.643,2 8.038,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.74,25 3.897,26 4.601,27 4.8,28 3.93,29 3.856,30 5.661,31 3.843,32 4.552,33 4.727,34 3.948,35 3.85,36 5.691,37 3.845,38 4.563,39 4.716,40 3.948,41 3.915,42 5.647,43 3.901,44 4.608,45 4.774,46 3.86,47 3.933,48 5.677,49 3.88,50 4.659,51 4.872,52 3.658,53 3.843,54 5.7,55 3.738,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.708,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.14,73 8.985,74 0.401,75 1.234,76 19.844,77 6.951,78 33.285,79 8.821,80 0.525,81 1.162,82 18.373,83 6.593,84 41.881,85 7.998,86 0.434,87 1.193,88 16.823,89 6.549,90 25.389,91 7.574,92 0.383,93 1.212,94 17.722,95 7.482,96 25.34,97 8.996,98 0.443,99 1.167,100 21.923,101 8.885,102 39.839,103 11.593,104 2,105 43,106 0.282,107 0.649,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,119 45.2,125 4,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 6,180 2,183 5,186 4,187 7,192 2,195 2,198 2,199 7,204 1,207 1,211 3,212 7,215 2,220 3,223 1,224 6,232 4,236 1,237 6,240 1,242 1,245 4,249 1,250 5,253 1,255 1,258 2,263 3,266 1,268 1,271 1,275 888,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.811,282 12.611,283 10.787,284 18.623,285 14.885,286 14.885,287 14.885,288 14.885,289 14.885,290 11.295,291 16.024,292 5.188,293 15.653,294 3.749,295 1.617,296 0.845,297 0.476,298 0.476,299 0.476,300 4.024,303 1,304 1,305 1,306 471,307 2.121,310 37.097,311 226.299,314 148.493,318 1.047,319 26.381,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 209,332 4.779,333 3.38,334 6.937,335 4.289,336 3.319,337 4.866,338 0.86,339 11.762,340 3.224,341 4.245,342 2.973,343 6.306,344 3.825,345 2.855,346 3.917,347 0.8,348 9.524,349 2.772,350 4.042,351 2.874,352 6.123,353 3.688,354 2.742,355 3.615,357 8.995,358 2.588,359 3.625,360 2.476,361 5.454,362 3.215,363 2.274,364 3.018,366 6.72,367 2.133,368 3.454,369 2.321,370 5.054,371 3.044,372 2.088,373 2.819,375 6.043,376 1.989,377 3.187,378 2.042,379 4.929,380 2.762,381 1.82,382 2.402,384 5.376,385 1.716,386 2.947,387 1.735,388 4.335,389 2.505,390 1.552,391 2.101,393 4.001,394 1.474,395 2.842,396 1.504,397 4.161,398 2.343,399 1.387,400 1.998,402 3.558,403 1.325,404 2.648,405 1.389,406 3.613,407 2.246,408 1.31,409 1.697,411 2.914,412 1.214,413 2.588,414 1.256,415 3.559,416 2.081,417 1.098,418 1.631,420 2.567,421 1.077,422 2.28,423 1.114,424 3.475,425 1.952,426 1,427 1.243,428 2.531,429 0.946,430 2,431 1.083,432 3.267,433 1.91,434 1,435 1,436 2.136,437 0.905,438 1.891,439 0.508,440 3.247,441 1.417,442 0.463,443 0.653,445 1.239,446 0.441,447 1.063,448 -0.057,449 2.736,450 0.606,451 -0.341,452 -0.451,454 -0.846,455 -0.32,456 0.928,457 -0.263,458 2.639,459 0.516,460 -0.41,461 -0.511,463 -1.005,464 -0.375,465 12.1,466 0.465,467 0.551,468 0.021,469 37.5,470 1.442,471 19,472 0.731,473 18.5,474 0.712,475 18.299,476 0.704,477 26.9,478 0.64,479 26.764,480 1.029,481 7.429,482 0.286,483 5.364,484 0.206,485 0.028,487 0.364,493 0.922,494 1.35,495 0.676,496 1.072,497 0.905,498 0.87,499 1.093,500 1.048,501 0.844,502 0.911,503 0.749,504 0.837,505 0.976,506 1.101,507 0.887,508 0.911,509 0.902,510 0.887,511 0.969,512 1.061,513 0.88,514 0.907,515 0.895,516 0.865,517 1.024,518 0.911,519 0.9,520 0.803,521 0.84,522 0.818,523 1.093,524 1.093,525 1.101,526 1.006,527 0.857,528 1.026,529 0.915,530 1.086,531 1.219,532 1.237,533 0.897,534 1.274,535 0.695,536 1.052,537 1.128,538 1.309,539 0.846,540 1.315,541 4,542 0.025,543 2.667,544 1.701,545 1.275,546 1.146,547 0.554,548 0.259,549 0.228,550 0.089,551 7600,552 20994,553 2.241,554 38.1,556 14,558 1,559 1,564 1.7,565 2.167,566 3.032,567 -0.294,568 1,569 1,571 1,573 69.012,574 1.643,575 3.775,576 4.547,577 4.916,578 4.916,579 4.916,580 2.286,581 4.393,582 4.672,583 3.169,584 1029.87,585 8.147,586 12408.6,587 1,588 1,590 1,591 226.477,592 1.142,593 4.66,594 0.133,595 0.006,596 0.062,597 0.039,598 0.031,599 0.027,600 0.013,601 0.007,602 0.008,603 0.006,604 0.333,605 0.5,606 0.88,607 0.362,608 123.326,609 -0.092,610 -0.256,611 0.06,612 -0.095,613 -0.107,614 -0.008,615 -0.074,616 0.035,617 0.009,618 0.029,619 0.006,620 0.033,621 0.036,622 -0.071,623 0.055,624 0.036,625 0.017,626 0.04,627 -0.081,628 -0.012,629 0.072,630 0.029,631 -0.044,632 0.077,633 0.008,634 0.144,635 0.031,636 0.134,637 0.059,638 0.091,639 -0.143,640 -0.013,641 -0.239,642 -0.069,643 -0.128,644 -0.143,645 -0.079,646 -0.052,647 -0.349,648 -0.269,649 -0.127,650 -0.342,651 0.116,652 -0.146,653 -0.138,654 -0.288,655 0.081,656 -0.268,657 1.488,658 3.826,659 0.962,660 19.935,661 1.016,662 1.122,663 2.385,664 5.688,665 0.689,666 3.434,667 3.784,668 4.127,669 4.477,670 4.796,671 4.956,672 5.215,673 5.425,674 5.525,675 5.624,676 5.249,677 0.676,678 348.39,679 3.434,680 4.99,681 5.872,682 6.777,683 7.681,684 8.597,685 9.513,686 10.436,687 11.359,688 12.285,689 9.5,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,728 1,731 42,733 21,734 1,735 30,737 46,738 19,739 15,740 2,741 4,746 5,747 8,761 15,762 4,777 1,778 1,780 1,781 16,782 7,783 1,784 7,790 4,794 0.6,795 3,805 1,806 1,811 1,812 4,815 2,839 1,840 3,848 26,853 1,854 4,856 1,859 1,870 7.1,872 1,874 1,875 1,877 12,878 7.667,879 5.583,880 2.54,881 4.165,882 1.525,883 1.024,884 3.731,885 12.103,886 3.726,887 4.404,888 5.11,889 5.829,890 6.501,891 6.989,892 7.581,893 8.135,894 8.52,895 8.952,896 0.667,897 44,898 9.597,900 4.213,901 7.705,902 18.329,904 15.436,905 2.205,906 57.333,909 1,910 176.567,911 101.103,912 53.481,914 63.191,917 101.103,918 239.757,919 53.481,921 13.396,922 56.857,923 120.218,924 31.91,925 7.164,926 164.795,928 176.567,929 154.584,930 63.191,933 178.894,934 52.191,935 11,937 28.995,938 72.904,939 50.357,941 176.567,942 116.671,943 101.103,946 176.567,947 35.198,948 69.029,950 113.547,951 176.567,952 116.671,953 101.103,955 0.582,956 0.345,957 0.202,958 0.119,959 24,960 9,961 0.043,962 2,963 2,964 1.16,965 3.774,966 242.994,967 0.16,968 25,969 118.211,974 15.558,975 6.236,976 2.713,977 2.743,978 116.671,979 12.445,980 13.778,982 5.983,984 2.202,986 42.683,987 394.341,988 40.5,999 42.691,1000 47.113,1001 0.305,1002 0.7,1003 0.843,1004 0.912,1005 0.912,1006 0.912,1007 4.965,1008 1.387,1009 5.855,1010 4.001,1011 4.466,1012 5.091,1013 1.235,1014 6.708,1015 4.375,1016 6.186,1017 1.31,1018 7.428,1019 3.558,1020 4.007,1021 4.956,1022 0.325,1023 7.662,1024 3.886,1025 7.511,1026 1.098,1027 9.106,1028 2.914,1029 6.084,1030 7.419,1031 0.938,1032 10.832,1033 5.921,1034 8.878,1035 1,1036 10.848,1037 2.567,1038 6.494,1039 8.187,1040 0.268,1041 12.661,1042 6.309,1043 10.283,1044 1,1045 12.631,1046 2.531,1047 8.017,1048 10.102,1049 0.732,1050 15.339,1051 7.795,1052 11.716,1053 0.463,1054 14.444,1055 2.136,1056 8.838,1057 11.302,1058 0.188,1059 17.525,1060 8.596,1061 13.171,1062 -0.341,1063 16.277,1064 1.239,1065 10.137,1066 12.998,1067 0.57,1068 20.041,1069 9.862,1070 3.319,1071 -0.41,1072 18.127,1073 -0.846,1074 11.151,1075 14.404,1076 0.125,1077 22.378,1078 10.856,1079 2.855,1080 11.762,1081 19.988,1082 -1.005,1083 12.365,1084 16.016,1085 0.438,1086 24.844,1087 12.04,1088 2.742,1089 9.524,1090 21.86,1091 4.866,1092 13.469,1093 17.517,1094 0.082,1095 27.245,1096 13.12,1097 2.274,1098 8.995,1099 23.74,1100 3.917,1101 14.654,1102 19.101,1103 0.334,1104 29.699,1105 14.278,1106 2.088,1107 6.72,1108 25.627,1109 3.615,1110 15.8,1111 20.643,1112 0.054,1113 32.13,1114 15.399,1115 1.82,1116 6.043,1117 27.519,1118 3.018,1119 16.98,1120 22.22,1121 0.252,1122 34.584,1123 16.552,1124 1.552,1125 5.376,1126 29.416,1127 2.819,1128 18.146,1129 23.782,1130 0.035,1131 37.03,1132 17.693,1133 6991,1134 11755,1135 20.978,1136 28.955,1137 45.956,1138 46.037,1139 46.388,1140 45.857,1141 45.817,1142 61.92,1143 3.32,1144 134.731,1145 43.605,1146 5.779,1147 5.38,1148 6.739,1149 5.393,1150 5.319,1151 7.866,1152 1.72,1153 19.31,1154 5.224,1155 6.541,1156 1.532,1157 1.535,1158 1.546,1159 1.529,1160 1.527,1161 2.064,1162 0.111,1163 4.491,1164 1.454,1165 4.183,1166 4.2,1167 4.171,1168 4.047,1169 6.471,1170 4.074,1171 3.894,1172 3.916,1173 3.843,1174 3.821,1175 5.281,1176 3.823,1177 3.768,1178 3.822,1179 3.671,1180 3.567,1181 4.814,1182 3.585,1183 3.535,1184 3.58,1185 3.462,1186 3.369,1187 4.617,1188 3.385,1189 3.114,1190 3.206,1191 3.063,1192 2.946,1193 4.538,1194 2.966,1195 3.111,1196 3.135,1197 2.866,1198 2.941,1199 4.324,1200 2.91,1201 2.94,1202 2.992,1203 2.863,1204 2.746,1205 4.032,1206 2.75,1207 2.922,1208 2.967,1209 2.804,1210 2.714,1211 3.806,1212 2.735,1213 0.159,1214 0.113,1215 0.231,1216 0.143,1217 0.111,1218 4.779,1219 0.162,1220 3.38,1221 0.029,1222 6.937,1223 0.392,1224 4.289,1225 0.107,1226 3.319,1227 4.866,1228 0.86,1229 11.762,1230 3.224,1231 1.956,1232 1.93,1233 2.025,1234 2.081,1235 1.218,1236 2.062,1237 1.848,1238 1.824,1239 1.942,1240 1.975,1241 1.097,1242 1.957,1243 1.749,1244 1.71,1245 1.917,1246 1.942,1247 1.026,1248 1.943,1249 1.545,1250 1.509,1251 1.646,1252 1.771,1253 0.825,1254 1.738,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.698,1260 1.429,1261 0.998,1262 0.981,1263 1.154,1264 1.235,1265 0.259,1266 1.195,1267 0.942,1268 0.906,1269 1.125,1270 1.14,1271 0.237,1272 1.131,1273 0.883,1274 0.838,1275 1.103,1276 1.114,1277 0.139,1278 1.101,1279 4.111,1281 5.451,1282 2.398,1283 7.002,1284 4.844,1285 8.648,1286 7.066,1287 10.344,1294 9.826,1295 2.753,1297 5.462,1300 2.141,1305 28.391,1306 69.012,1307 158.561,1308 190.968,1309 206.477,1310 206.477,1311 206.477,1312 32.97,1313 7.938,1314 84.51,1315 84.51,1316 29,1317 12.791,1318 4.459,1319 3.524,1320 33.517,1321 83,1322 75,1323 0.205,1324 168.877,1325 278.47,1326 403.821,1327 28842,1329 17.51,1330 0.673,1331 0.535,1332 17.51,1333 13.922,1334 12.793,1335 0.426,1336 0.282,1337 8.311,1338 12.185,1339 8.209,1340 6.7,1341 12.793,1342 8.468,1343 11.597,1344 0.27,1345 0.143,1346 11.597,1347 6.156,1348 10.241,1349 0.168,1350 0.074,1351 10.241,1352 4.488,1353 9.145,1354 0.105,1355 0.037,1356 9.145,1357 3.228,1358 7.995,1359 0.067,1360 0.019,1361 7.995,1362 2.254,1363 0.306,1364 80.996,1365 0.218,1366 24.334,1367 0.613,1368 146,1369 450.201,1370 163.654,1371 427.285,1372 598.74,1373 404,1374 177,1375 455.855,1376 196.404,1377 455.624,1378 681.09,1379 431,1380 8.444}
{0 CHEMBL538378,1 1.66,2 15.805,3 1.525,4 2.327,5 149.322,6 7.746,7 0.478,8 4.405,9 4.528,10 4.01,11 3.861,12 5.513,13 3.877,14 4.968,15 5.146,16 4.373,17 4.26,18 6.074,19 4.254,20 5.202,21 5.417,22 4.432,23 4.414,24 6.215,25 4.378,26 5.279,27 5.508,28 4.422,29 4.422,30 6.344,31 4.381,32 5.233,33 5.444,34 4.409,35 4.435,36 6.316,37 4.389,38 5.239,39 5.464,40 4.396,41 4.448,42 6.232,43 4.388,44 5.216,45 5.438,46 4.379,47 4.444,48 6.217,49 4.382,50 5.232,51 5.451,52 4.339,53 4.473,54 6.245,55 4.379,56 0.134,57 1.162,58 14.137,59 5.749,60 11.151,61 7.684,62 0.802,63 1.826,64 29.298,65 9.319,66 52.107,67 13.06,68 0.709,69 2.191,70 38.867,71 11.848,72 54.558,73 17.41,74 0.963,75 2.245,76 44.028,77 12.547,78 88.621,79 18.185,80 0.871,81 2.186,82 40.77,83 12.641,84 92.569,85 17.961,86 0.796,87 2.246,88 40.803,89 12.746,90 62.955,91 18.747,92 0.823,93 2.191,94 39.628,95 12.542,96 63.073,97 18.511,98 0.721,99 2.18,100 39.685,101 15.027,102 68.494,103 21.162,104 12,105 64,106 0.256,107 0.604,108 0.771,109 0.827,110 0.838,111 0.838,112 3.742,113 0.886,114 -3.64,115 -3.61,116 -3.44,119 38.9,121 2,124 1,125 6,127 1,142 6,143 2,144 2,145 3,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 12,178 2,179 1,180 3,183 5,186 2,187 7,190 1,192 3,195 2,198 6,199 15,204 4,207 3,211 3,212 9,215 1,217 3,220 2,223 3,224 12,227 2,229 1,232 6,236 5,237 5,245 8,249 6,250 7,253 4,255 1,258 7,263 7,266 1,271 1,275 3937,276 28.386,277 28.386,278 28.386,279 28.386,280 28.386,281 25.616,282 36.889,283 16.841,284 29.283,285 22.689,286 22.689,287 22.689,288 22.689,289 22.689,290 18.334,291 50.818,292 7.971,293 24.001,294 4.51,295 2.25,296 1.164,297 0.799,298 0.733,299 0.733,300 4.458,306 1428,307 3.808,310 102.951,311 664.606,314 183.441,318 2.346,319 42.688,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 90.5,331 648,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.888,346 3.797,347 1.656,348 9.601,349 2.764,350 4.021,351 3.377,352 6.107,353 3.752,354 2.789,355 3.48,356 0.86,357 8.931,358 2.666,359 3.966,360 3.028,361 6.011,362 3.633,363 2.707,364 3.365,365 0.8,366 8.496,367 2.536,368 3.907,369 2.823,370 5.572,371 3.603,372 2.643,373 3.148,374 0.655,375 7.636,376 2.491,377 3.757,378 2.567,379 5.557,380 3.368,381 2.407,382 3.091,383 0.247,384 7.103,385 2.31,386 3.424,387 2.526,388 5.323,389 3.213,390 2.255,391 2.656,392 0.13,393 6.915,394 2.146,395 3.388,396 2.386,397 4.789,398 2.942,399 1.951,400 2.498,402 5.114,403 1.919,404 2.996,405 2.301,406 4.676,407 2.721,408 1.795,409 2.177,411 4.93,412 1.656,413 2.964,414 2.075,415 4.405,416 2.45,417 1.503,418 2.051,420 4.244,421 1.421,422 2.843,423 1.535,424 4.24,425 2.394,426 1.476,427 1.972,428 3.713,429 1.34,430 2.7,431 1.528,432 3.96,433 2.338,434 1.374,435 1.722,436 2.998,437 1.32,438 2.5,439 1.519,440 3.759,441 2.108,442 1.218,443 1.5,445 2.97,446 1.075,447 2.5,448 1.461,449 3.569,450 2.019,451 1.07,452 1.5,454 2.84,455 1.01,456 2.494,457 1.256,458 3.423,459 2,460 1,461 1.485,463 2.275,464 1,465 18.933,466 0.462,467 0.845,468 0.021,469 53.75,470 1.311,471 24.5,472 0.598,473 29.25,474 0.713,475 37.564,476 0.916,477 44.667,478 0.62,479 46.314,480 1.13,481 10.699,482 0.261,483 9.386,484 0.229,485 0.062,487 0.327,493 0.811,494 1.581,495 0.729,496 1.241,497 0.567,498 1.006,499 0.924,500 1.1,501 0.9,502 0.914,503 0.58,504 0.903,505 0.973,506 1.191,507 0.96,508 1.02,509 0.792,510 0.982,511 1.174,512 0.944,513 1.041,514 0.894,515 1.268,516 0.924,517 1.121,518 1.059,519 1.054,520 0.981,521 1.312,522 1,523 0.865,524 1.059,525 1.016,526 1.01,527 0.824,528 1.027,529 0.788,530 1.009,531 1.019,532 0.993,533 0.593,534 1.026,535 0.517,536 0.986,537 0.998,538 1.227,539 0.484,540 1.216,541 7,542 0.36,543 4.444,544 2.222,545 1.836,546 1.705,547 1.154,548 0.486,549 0.371,550 0.419,551 30133,552 84555,553 2.162,554 43.1,556 22,558 3,559 2,562 4,564 1.808,565 2.067,566 3.872,567 0.21,573 119.519,574 1.66,575 3.92,576 5.006,577 5.371,578 5.437,579 5.437,580 3.37,581 4.919,582 5.319,583 4.087,584 3351.51,585 9.416,586 59650.7,591 444.235,592 1.237,593 5.308,594 0.152,595 0.008,596 0.069,597 0.033,598 0.028,599 0.026,600 0.018,601 0.008,602 0.006,603 0.008,604 0.358,605 0.33,606 0.63,607 0.668,608 233.993,609 -0.038,610 -0.324,611 0.075,612 -0.158,613 -0.004,614 -0.042,615 0.097,616 0.04,617 0.017,618 0.073,619 0.106,620 0.029,621 -0.093,622 -0.121,623 -0.017,624 -0.038,625 -0.018,626 -0.015,627 -0.147,628 0.084,629 -0.055,630 0.055,631 -0.12,632 0.025,633 -0.13,634 -0.017,635 -0.097,636 0.01,637 -0.145,638 -0.031,639 -0.052,640 0.002,641 -0.075,642 -0.024,643 -0.067,644 -0.047,645 -0.001,646 0.059,647 -0.086,648 0.002,649 0.01,650 -0.043,651 0.169,652 0.047,653 -0.083,654 -0.17,655 0.133,656 -0.181,657 2.028,658 5.407,659 0.805,660 61.246,661 1.013,662 1.137,663 2.408,664 5.8,665 0.656,666 3.85,667 4.174,668 4.477,669 4.762,670 5.03,671 5.187,672 5.434,673 5.624,674 5.787,675 5.981,676 8.979,677 0.637,678 557.68,679 3.85,680 5.398,681 6.26,682 7.141,683 8.021,684 8.913,685 9.803,686 10.702,687 11.6,688 12.505,689 12.5,695 1,696 3,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 72,733 24,734 1,735 46,737 77,738 28,739 16,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 18,762 10,766 2,771 2,775 2,781 31,782 12,783 2,784 13,790 9,794 0.833,795 4,803 1,805 1,806 1,811 1,812 5,815 1,837 1,839 1,840 5,844 1,848 41,854 8,855 2,856 2,858 1,859 2,870 5.6,873 2,874 1,875 1,877 19.833,878 13.15,879 9.028,880 4.314,881 4.034,882 1.45,883 0.995,884 8.278,885 13.004,886 4.094,887 4.666,888 5.249,889 5.851,890 6.411,891 6.8,892 7.318,893 7.793,894 8.156,895 8.599,896 0.909,897 67,898 15.179,900 6.513,901 7.752,902 28.961,904 23.912,905 2.252,906 92.333,910 341.362,911 146.241,912 111.066,914 72.29,917 146.241,918 413.652,919 111.066,920 10.883,921 61.822,922 56.857,923 165.338,924 56.643,925 13.366,926 306.049,928 341.362,929 257.307,930 72.29,933 296.605,934 108.374,935 11,937 92.457,938 95.503,939 67.02,941 341.362,942 183.356,943 146.241,946 341.362,947 51.358,948 102.908,949 36.022,950 139.309,951 341.362,952 183.356,953 146.241,955 0.577,956 0.341,957 0.185,958 0.101,959 31,960 13,961 0.078,962 6,963 1,964 1.061,965 5.1,966 424.883,967 0.061,968 33,969 207.66,974 27.394,975 12.39,976 6.125,977 1.641,978 181.579,979 15.997,980 18.696,984 3.44,985 1.97,986 36.022,987 670.959,988 59,993 24.382,997 -0.666,999 72.945,1000 81.89,1001 0.269,1002 0.635,1003 0.811,1004 0.871,1005 0.881,1006 0.881,1007 5.34,1008 1.951,1009 6.232,1010 6.915,1011 4.86,1012 5.354,1013 2.857,1014 7.045,1015 4.755,1016 6.522,1017 1.795,1018 7.787,1019 5.114,1020 4.369,1021 5.103,1022 2.2,1023 7.941,1024 4.225,1025 7.82,1026 1.503,1027 9.442,1028 4.93,1029 6.45,1030 7.517,1031 3.824,1032 11.064,1033 6.243,1034 9.153,1035 1.476,1036 11.16,1037 4.244,1038 6.815,1039 8.152,1040 3.876,1041 12.825,1042 6.563,1043 10.521,1044 1.374,1045 12.918,1046 3.713,1047 8.328,1048 10.029,1049 5.122,1050 15.461,1051 8.02,1052 11.916,1053 1.218,1054 14.705,1055 2.998,1056 9.091,1057 11.099,1058 5.498,1059 17.587,1060 8.734,1061 13.33,1062 1.07,1063 16.512,1064 2.97,1065 10.374,1066 12.759,1067 6.553,1068 20.07,1069 9.964,1070 3.289,1071 1,1072 18.336,1073 2.84,1074 11.334,1075 14.056,1076 7.101,1077 22.362,1078 10.871,1079 2.888,1080 11.617,1081 20.173,1082 2.275,1083 12.524,1084 15.628,1085 8.048,1086 24.801,1087 12.011,1088 2.789,1089 9.601,1090 22.021,1091 4.638,1092 13.582,1093 17.041,1094 8.696,1095 27.17,1096 13.016,1097 2.707,1098 8.931,1099 23.877,1100 3.797,1101 14.741,1102 18.58,1103 9.58,1104 29.601,1105 14.124,1106 2.643,1107 8.496,1108 25.742,1109 3.48,1110 15.85,1111 20.053,1112 10.287,1113 32.009,1114 15.179,1115 2.407,1116 7.636,1117 27.613,1118 3.365,1119 17.004,1120 21.581,1121 11.134,1122 34.443,1123 16.281,1124 2.255,1125 7.103,1126 29.49,1127 3.148,1128 18.14,1129 23.083,1130 11.875,1131 36.87,1132 17.364,1133 27921,1134 46939,1135 31.611,1136 47.245,1137 69.065,1138 71.114,1139 70.434,1140 68.617,1141 68.676,1142 87.152,1143 13.112,1144 196.59,1145 65.087,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 15.964,1156 1.501,1157 1.546,1158 1.531,1159 1.492,1160 1.493,1161 1.895,1162 0.285,1163 4.274,1164 1.415,1165 4.141,1166 4.193,1167 4.117,1168 3.983,1169 7.434,1170 4.009,1171 3.915,1172 3.957,1173 3.862,1174 3.808,1175 7.43,1176 3.815,1177 3.86,1178 3.907,1179 3.796,1180 3.741,1181 5.136,1182 3.75,1183 3.81,1184 3.861,1185 3.722,1186 3.642,1187 4.908,1188 3.651,1189 3.714,1190 3.771,1191 3.607,1192 3.487,1193 4.75,1194 3.505,1195 3.448,1196 3.489,1197 3.397,1198 3.165,1199 4.623,1200 3.217,1201 3.401,1202 3.435,1203 3.317,1204 3.105,1205 4.52,1206 3.155,1207 3.196,1208 3.267,1209 3.127,1210 2.943,1211 4.474,1212 2.979,1213 0.102,1214 0.082,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.761,1221 0.048,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.85,1238 1.801,1239 2.014,1240 2.026,1241 1.219,1242 2.022,1243 1.819,1244 1.776,1245 1.939,1246 1.988,1247 1.106,1248 1.975,1249 1.774,1250 1.727,1251 1.926,1252 1.941,1253 0.945,1254 1.941,1255 1.584,1256 1.535,1257 1.719,1258 1.797,1259 0.881,1260 1.774,1261 1.339,1262 1.291,1263 1.602,1264 1.671,1265 0.825,1266 1.632,1267 1.266,1268 1.221,1269 1.513,1270 1.56,1271 0.825,1272 1.517,1273 1.191,1274 1.112,1275 1.513,1276 1.519,1277 0.63,1278 1.499,1279 4.533,1281 5.855,1282 2.398,1283 7.377,1284 4.727,1285 8.986,1286 6.862,1287 10.642,1289 1.404,1295 5.391,1296 5.59,1297 10.467,1299 0.096,1300 3.927,1305 45.847,1306 119.519,1307 282.247,1308 360.46,1309 386.725,1310 391.48,1311 391.48,1312 69.798,1313 8.969,1314 139.63,1315 139.63,1316 35,1317 13.026,1318 4.644,1319 3.807,1320 59.369,1321 213,1322 259,1323 0.13,1324 277,1325 477.68,1326 667.641,1327 112512,1329 28.183,1330 0.687,1331 0.554,1332 28.183,1333 22.694,1334 20.085,1335 0.437,1336 0.295,1337 13.297,1338 18.981,1339 13.094,1340 10.755,1341 20.085,1342 13.581,1343 17.784,1344 0.278,1345 0.154,1346 17.784,1347 9.883,1348 15.513,1349 0.178,1350 0.084,1351 15.513,1352 7.308,1353 13.084,1354 0.113,1355 0.045,1356 13.084,1357 5.178,1358 10.754,1359 0.071,1360 0.024,1361 10.754,1362 3.624,1363 0.207,1364 128.054,1365 0.178,1366 36.872,1367 0.351,1368 220,1369 695.124,1370 249.75,1371 656.453,1372 900.73,1373 618,1374 261,1375 667.508,1376 291.563,1377 667.737,1378 982.3,1379 627,1380 7.456}
{0 CHEMBL540695,1 1.618,2 17.111,3 1.396,4 1.948,5 165.714,6 7.854,7 0.549,8 4.471,9 4.595,10 4.093,11 3.975,12 5.586,13 3.983,14 5.022,15 5.195,16 4.455,17 4.375,18 6.113,19 4.363,20 5.284,21 5.499,22 4.519,23 4.521,24 6.309,25 4.48,26 5.336,27 5.565,28 4.513,29 4.524,30 6.422,31 4.475,32 5.309,33 5.521,34 4.509,35 4.544,36 6.386,37 4.496,38 5.33,39 5.547,40 4.496,41 4.565,42 6.352,43 4.504,44 5.318,45 5.544,46 4.448,47 4.566,48 6.284,49 4.49,50 5.324,51 5.55,52 4.408,53 4.577,54 6.305,55 4.472,56 0.106,57 1.266,58 14.421,59 6.189,60 11.56,61 8.06,62 0.576,63 2.025,64 29.045,65 10.125,66 40.57,67 13.677,68 0.658,69 2.442,70 41.53,71 13.336,72 58.199,73 18.788,74 0.883,75 2.502,76 45.32,77 14.274,78 89.88,79 20.001,80 0.711,81 2.446,82 42.894,83 14.21,84 88.994,85 19.562,86 0.815,87 2.549,88 43.382,89 14.146,90 78.037,91 19.801,92 0.757,93 2.495,94 43.116,95 14.429,96 63.445,97 20.654,98 0.665,99 2.454,100 43.307,101 16.935,102 70.75,103 23.716,104 5,105 71,106 0.244,107 0.582,108 0.739,109 0.817,110 0.832,111 0.836,112 3.832,113 0.881,114 -3.79,115 -3.75,116 -3.57,119 41.6,121 2,125 6,127 1,142 8,143 3,144 2,145 5,147 1,149 1,158 1,159 1,161 1,166 1,172 6,174 4,175 17,178 2,179 1,180 4,183 7,186 2,187 9,192 2,195 2,198 8,199 16,202 1,204 5,207 5,211 2,212 8,217 2,220 4,223 3,224 15,227 3,229 1,232 10,236 4,237 5,245 8,249 6,250 9,253 4,255 1,258 7,262 1,263 10,266 1,271 1,275 5119,276 31.291,277 31.291,278 31.291,279 31.291,280 31.291,281 27.834,282 36.638,283 18.698,284 32.074,285 25.246,286 25.246,287 25.246,288 25.246,289 25.246,290 19.964,291 51.39,292 8.959,293 26.47,294 4.649,295 2.405,296 1.365,297 0.851,298 0.753,299 0.727,300 4.556,306 1720,307 3.742,310 114.189,311 905.073,314 204.457,318 2.8,319 44.643,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 98,331 770,332 4.693,333 3.694,334 6.903,335 4.238,336 3.289,337 4.638,338 1.656,339 11.617,340 3.121,341 4.241,342 3.562,343 6.399,344 3.956,345 2.98,346 3.797,347 1.2,348 9.721,349 2.911,350 4.183,351 3.377,352 6.318,353 3.804,354 2.835,355 3.716,356 0.86,357 9.528,358 2.752,359 4.002,360 3.028,361 6.107,362 3.712,363 2.763,364 3.48,365 0.8,366 8.93,367 2.617,368 3.956,369 2.823,370 5.584,371 3.606,372 2.643,373 3.363,374 0.293,375 7.636,376 2.538,377 3.757,378 2.57,379 5.565,380 3.373,381 2.413,382 3.146,383 0.247,384 7.196,385 2.315,386 3.562,387 2.53,388 5.323,389 3.308,390 2.347,391 2.792,393 6.919,394 2.241,395 3.409,396 2.396,397 5.231,398 3.073,399 2.124,400 2.656,402 6.301,403 2.01,404 3.355,405 2.328,406 4.77,407 2.94,408 1.95,409 2.487,411 5.114,412 1.917,413 3.004,414 2.169,415 4.676,416 2.69,417 1.761,418 2.177,420 4.859,421 1.635,422 2.966,423 2.043,424 4.404,425 2.455,426 1.507,427 2.089,428 4.242,429 1.422,430 2.844,431 1.535,432 4.133,433 2.443,434 1.494,435 1.975,436 3.448,437 1.413,438 2.82,439 1.528,440 3.851,441 2.314,442 1.374,443 1.904,445 3.063,446 1.285,447 2.551,448 1.519,449 3.759,450 2.158,451 1.252,452 1.563,454 2.994,455 1.128,456 2.5,457 1.323,458 3.569,459 2.047,460 1.102,461 1.5,463 2.877,464 1.034,465 21,466 0.467,467 0.897,468 0.02,469 62.25,470 1.383,471 30.5,472 0.678,473 31.75,474 0.706,475 40.472,476 0.899,477 47.4,478 0.616,479 53.773,480 1.195,481 12.244,482 0.272,483 9.876,484 0.219,485 0.032,487 0.319,493 0.784,494 1.476,495 0.717,496 1.142,497 0.555,498 0.95,499 0.958,500 1.146,501 0.914,502 0.976,503 0.619,504 0.94,505 1.088,506 1.16,507 0.981,508 0.996,509 0.86,510 0.967,511 1.061,512 0.912,513 1,514 0.925,515 1.229,516 0.942,517 1.172,518 1.089,519 1.029,520 1.004,521 1.425,522 0.993,523 1.031,524 1.025,525 1.117,526 1.021,527 0.997,528 1.066,529 0.835,530 0.999,531 1.08,532 1.022,533 0.557,534 1.067,535 0.492,536 0.975,537 1,538 1.208,539 0.478,540 1.202,541 7,542 0.375,543 4.667,544 2.66,545 2.027,546 1.691,547 1.193,548 0.566,549 0.401,550 0.408,551 40830,552 110371,553 2.2,554 41.6,556 21,558 5,559 2,562 4,564 1.829,565 2.126,566 3.99,567 0.159,573 124.568,574 1.618,575 3.862,576 4.902,577 5.416,578 5.514,579 5.54,580 3.483,581 4.986,582 5.453,583 4.214,584 4171.56,585 9.682,586 80333.9,591 482.543,592 1.132,593 5.451,594 0.137,595 0.007,596 0.066,597 0.036,598 0.028,599 0.023,600 0.017,601 0.008,602 0.006,603 0.007,604 0.335,605 0.33,606 0.63,607 0.322,608 264.765,609 -0.025,610 -0.27,611 0.072,612 -0.113,613 -0.001,614 -0.023,615 0.025,616 -0.011,617 -0.022,618 -0.006,619 0.048,620 -0.024,621 -0.116,622 -0.119,623 -0.022,624 -0.026,625 -0.018,626 -0.008,627 -0.026,628 0.108,629 -0.011,630 0.03,631 -0.033,632 0.015,633 -0.141,634 -0.072,635 -0.063,636 -0.017,637 -0.157,638 -0.025,639 -0.092,640 0.026,641 -0.164,642 -0.055,643 -0.108,644 -0.111,645 -0.031,646 0.037,647 -0.133,648 -0.037,649 -0.012,650 -0.085,651 0.191,652 0.008,653 -0.061,654 -0.166,655 0.132,656 -0.165,657 2.015,658 5.99,659 0.867,660 74.973,661 1.009,662 1.132,663 2.562,664 6.562,665 0.673,666 3.951,667 4.277,668 4.585,669 4.875,670 5.142,671 5.273,672 5.517,673 5.714,674 5.886,675 6.087,676 9.766,677 0.651,678 604.74,679 3.951,680 5.501,681 6.365,682 7.246,683 8.126,684 9.017,685 9.906,686 10.804,687 11.7,688 12.603,689 13,695 1,696 3,697 1,699 5,703 2,704 13,705 5,709 6,710 1,711 28,719 1,726 1,731 77,733 30,734 1,735 51,737 83,738 32,739 21,740 2,741 4,742 1,746 7,747 8,751 1,755 3,758 3,761 23,762 9,766 2,771 2,775 2,781 32,782 12,783 2,784 13,790 10,794 0.857,795 3,803 1,805 2,806 1,811 1,812 6,815 1,839 1,840 6,848 45,854 8,855 2,856 1,858 1,859 2,870 3.9,873 2,874 1,877 21.167,878 13.767,879 9.806,880 4.69,881 4.741,882 1.504,883 1.018,884 8.541,885 14.156,886 4.22,887 4.802,888 5.399,889 5.997,890 6.547,891 6.877,892 7.38,893 7.833,894 8.196,895 8.642,896 0.917,897 74,898 16.673,900 7.227,901 7.711,902 31.9,904 26.632,905 2.211,906 99.5,910 353.133,911 173.533,912 127.852,914 61.29,917 173.533,918 414.423,919 127.852,921 61.822,922 75.81,923 210.37,924 66.924,925 6.604,926 294.278,928 353.133,929 301.385,930 61.29,933 308.377,934 97.374,935 11,937 110.551,938 104.7,939 83.805,941 353.133,942 189.142,943 173.533,946 353.133,947 52.486,948 129.072,949 36.022,950 145.095,951 353.133,952 189.142,953 173.533,955 0.578,956 0.34,957 0.189,958 0.104,959 35,960 14,961 0.072,962 6,963 1,964 1.051,965 5.481,966 485.926,967 0.051,968 39,969 231.133,974 29.145,975 13.187,976 6.461,977 1.651,978 187.365,979 22.846,980 22.89,984 4.103,985 1.996,986 36.022,987 715.808,988 67,993 25.464,997 -0.35,999 77.72,1000 87.178,1001 0.258,1002 0.616,1003 0.782,1004 0.864,1005 0.88,1006 0.884,1007 5.46,1008 2.124,1009 6.333,1010 6.919,1011 4.963,1012 5.491,1013 2.409,1014 7.144,1015 4.874,1016 6.644,1017 1.95,1018 7.885,1019 6.301,1020 4.443,1021 5.182,1022 1.404,1023 8.03,1024 4.327,1025 7.939,1026 1.761,1027 9.539,1028 5.114,1029 6.55,1030 7.657,1031 2.79,1032 11.166,1033 6.377,1034 9.27,1035 1.507,1036 11.257,1037 4.859,1038 6.899,1039 8.242,1040 2.438,1041 12.925,1042 6.698,1043 10.637,1044 1.494,1045 13.017,1046 4.242,1047 8.427,1048 10.157,1049 3.447,1050 15.566,1051 8.173,1052 12.03,1053 1.374,1054 14.806,1055 3.448,1056 9.185,1057 11.186,1058 3.469,1059 17.688,1060 8.895,1061 13.444,1062 1.252,1063 16.617,1064 3.063,1065 10.475,1066 12.865,1067 4.261,1068 20.17,1069 10.136,1070 3.289,1071 1.102,1072 18.444,1073 2.994,1074 11.433,1075 14.131,1076 4.499,1077 22.454,1078 11.053,1079 2.98,1080 11.617,1081 20.283,1082 2.877,1083 12.627,1084 15.708,1085 5.165,1086 24.888,1087 12.199,1088 2.835,1089 9.721,1090 22.133,1091 4.638,1092 13.684,1093 17.1,1094 5.523,1095 27.248,1096 13.209,1097 2.763,1098 9.528,1099 23.991,1100 3.797,1101 14.844,1102 18.637,1103 6.118,1104 29.673,1105 14.32,1106 2.643,1107 8.93,1108 25.857,1109 3.716,1110 15.95,1111 20.095,1112 6.542,1113 32.072,1114 15.378,1115 2.413,1116 7.636,1117 27.728,1118 3.48,1119 17.103,1120 21.62,1121 7.097,1122 34.499,1123 16.48,1124 2.347,1125 7.196,1126 29.606,1127 3.363,1128 18.236,1129 23.113,1130 7.557,1131 36.918,1132 17.562,1133 37123,1134 61231,1135 35.482,1136 51.796,1137 77.222,1138 78.874,1139 77.583,1140 76.642,1141 76.639,1142 99.316,1143 10.112,1144 218.526,1145 73.278,1146 5.693,1147 5.694,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 2.912,1153 19.166,1154 5.121,1155 13.501,1156 1.514,1157 1.547,1158 1.521,1159 1.503,1160 1.503,1161 1.947,1162 0.198,1163 4.285,1164 1.437,1165 4.144,1166 4.195,1167 4.119,1168 3.987,1169 7.432,1170 4.012,1171 3.921,1172 3.961,1173 3.865,1174 3.813,1175 7.427,1176 3.819,1177 3.912,1178 3.954,1179 3.862,1180 3.786,1181 5.136,1182 3.8,1183 3.846,1184 3.886,1185 3.788,1186 3.737,1187 4.911,1188 3.746,1189 3.776,1190 3.834,1191 3.672,1192 3.615,1193 4.876,1194 3.617,1195 3.687,1196 3.745,1197 3.575,1198 3.481,1199 4.75,1200 3.496,1201 3.425,1202 3.475,1203 3.382,1204 3.152,1205 4.623,1206 3.203,1207 3.275,1208 3.325,1209 3.222,1210 3.035,1211 4.483,1212 3.072,1213 0.092,1214 0.072,1215 0.135,1216 0.083,1217 0.064,1218 4.693,1219 0.091,1220 3.694,1221 0.032,1222 6.903,1223 0.228,1224 4.238,1225 0.061,1226 3.289,1227 4.638,1228 1.656,1229 11.617,1230 3.121,1231 1.957,1232 1.925,1233 2.055,1234 2.106,1235 1.412,1236 2.089,1237 1.883,1238 1.842,1239 2.019,1240 2.042,1241 1.219,1242 2.035,1243 1.827,1244 1.786,1245 1.94,1246 1.991,1247 1.106,1248 1.977,1249 1.802,1250 1.763,1251 1.927,1252 1.942,1253 0.965,1254 1.941,1255 1.76,1256 1.708,1257 1.922,1258 1.936,1259 0.948,1260 1.934,1261 1.581,1262 1.533,1263 1.717,1264 1.785,1265 0.877,1266 1.768,1267 1.292,1268 1.227,1269 1.513,1270 1.593,1271 0.825,1272 1.548,1273 1.246,1274 1.197,1275 1.513,1276 1.555,1277 0.825,1278 1.505,1279 4.635,1281 5.958,1282 2.398,1283 7.483,1284 4.727,1285 9.093,1286 6.862,1287 10.749,1295 5.463,1296 5.64,1297 5.607,1299 0.089,1300 4.1,1305 50.153,1306 124.568,1307 297.34,1308 377.423,1309 417.033,1310 424.543,1311 426.543,1312 76.034,1313 9.415,1314 143.29,1315 143.29,1316 41,1317 13.125,1318 4.954,1319 4.087,1320 62.219,1321 255,1322 305,1323 0.113,1324 301.992,1325 517.91,1326 728.621,1327 200353,1329 30.589,1330 0.68,1331 0.545,1332 30.589,1333 24.542,1334 22.119,1335 0.434,1336 0.294,1337 14.719,1338 21.091,1339 14.522,1340 11.909,1341 22.119,1342 14.98,1343 19.656,1344 0.277,1345 0.154,1346 19.656,1347 10.954,1348 17.202,1349 0.177,1350 0.083,1351 17.202,1352 8.089,1353 14.753,1354 0.113,1355 0.044,1356 14.753,1357 5.74,1358 12.188,1359 0.072,1360 0.024,1361 12.188,1362 4.035,1363 0.181,1364 139.645,1365 0.168,1366 39.87,1367 0.302,1368 244,1369 727.033,1370 271.928,1371 698.425,1372 966.3,1373 658,1374 290,1375 723.075,1376 319.708,1377 725.677,1378 1067.59,1379 685,1380 6.261}
{0 CHEMBL541643,1 1.713,2 7.818,3 3.083,4 9.506,5 85.442,6 8.471,7 0.64,8 3.754,9 3.847,10 3.49,11 3.351,12 4.86,13 3.321,14 4.281,15 4.424,16 3.854,17 3.738,18 5.363,19 3.69,20 4.476,21 4.664,22 3.874,23 3.782,24 5.506,25 3.721,26 4.424,27 4.636,28 3.795,29 3.753,30 5.429,31 3.673,32 4.395,33 4.583,34 3.803,35 3.796,36 5.459,37 3.692,38 4.375,39 4.536,40 3.751,41 3.806,42 5.368,43 3.692,44 4.383,45 4.587,46 3.516,47 3.661,48 5.366,49 3.516,50 4.237,51 4.484,52 3.191,53 3.349,54 5.154,55 3.182,56 0.051,57 0.555,58 6.745,59 3.482,60 6.672,61 3.879,62 0.233,63 0.941,64 14.682,65 5.958,66 16.828,67 6.522,68 0.351,69 1.12,70 20.526,71 6.808,72 26.061,73 8.259,74 0.237,75 1.079,76 17.96,77 6.714,78 23.398,79 8.369,80 0.358,81 1.052,82 21.096,83 7.388,84 31.973,85 8.449,86 0.186,87 1.022,88 19.411,89 7.485,90 13.787,91 8.262,92 0.244,93 0.937,94 18.894,95 7.653,96 21.673,97 9.367,98 0.231,99 0.74,100 19.128,101 6.978,102 24.523,103 8.538,104 2,105 35,106 0.307,107 0.656,108 0.78,109 0.836,110 0.836,111 0.836,112 3.148,113 0.968,114 -3.77,115 -3.74,116 -3.55,119 43.2,125 4,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,172 4,174 2,175 3,180 2,183 5,186 1,187 7,192 2,195 2,198 1,199 5,204 1,207 1,211 1,212 4,215 2,220 3,224 2,232 3,236 1,237 3,240 1,242 1,245 2,250 2,255 1,258 1,263 1,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.611,283 9.15,284 15.895,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 16.024,292 4.385,293 13.381,294 3.496,295 1.544,296 0.854,297 0.541,298 0.541,299 0.541,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 18.621,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 172,332 4.604,333 3.305,334 6.732,335 4.124,336 3.194,337 4.53,338 0.86,339 11.013,340 2.97,341 4.155,342 2.884,343 6.124,344 3.749,345 2.783,346 3.786,347 0.8,348 9.011,349 2.683,350 3.738,351 2.697,352 5.766,353 3.428,354 2.505,355 3.075,357 7.812,358 2.308,359 3.598,360 2.389,361 5.05,362 3.154,363 2.212,364 2.984,366 6.078,367 2.076,368 3.015,369 2.233,370 4.678,371 2.702,372 1.79,373 2.142,375 4.788,376 1.627,377 2.935,378 1.557,379 4.323,380 2.398,381 1.471,382 2.088,384 4.025,385 1.358,386 2.657,387 1.532,388 3.708,389 2.133,390 1.246,391 1.731,393 2.925,394 1.108,395 2.5,396 1.256,397 3.481,398 2.088,399 1.155,400 1.5,402 2.568,403 1.054,404 2.373,405 1.184,406 3.443,407 1.952,408 1,409 1.358,411 2.34,412 0.946,413 2,414 1,415 3.326,416 1.909,417 1,418 1,420 2.136,421 0.888,422 1.929,423 0.595,424 3.247,425 1.404,426 0.528,427 0.728,428 1.449,429 0.455,430 0.998,431 -0.057,432 2.707,433 0.553,434 -0.381,435 -0.492,436 -0.872,437 -0.349,438 0.909,439 -0.295,440 2.541,441 0.487,442 -0.425,443 -0.523,445 -1.123,446 -0.384,447 0.73,448 -0.36,449 2.182,450 0.327,451 -0.624,452 -0.783,454 -1.682,455 -0.588,456 0.5,457 -0.566,458 2,459 0.011,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.7,466 0.486,467 0.448,468 0.02,469 30,470 1.364,471 15,472 0.682,473 15,474 0.682,475 16.104,476 0.732,477 22.9,478 0.619,479 19.116,480 0.869,481 5.747,482 0.261,483 5.063,484 0.23,485 0.031,487 0.318,493 0.925,494 1.234,495 0.701,496 0.909,497 0.921,498 0.849,499 1.169,500 0.999,501 0.922,502 0.867,503 0.724,504 0.844,505 1.109,506 1.192,507 0.892,508 0.942,509 0.982,510 0.916,511 0.829,512 1.029,513 0.765,514 0.789,515 0.836,516 0.861,517 0.757,518 0.895,519 1.229,520 1.013,521 0.706,522 0.92,523 0.859,524 1.164,525 1.389,526 1.383,527 0.784,528 1.274,529 0.687,530 1.051,531 1.079,532 1.217,533 0.737,534 1.27,535 0.958,536 0.907,537 0.921,538 1.08,539 1.108,540 1.091,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 13589,553 2.205,554 40.5,556 13,557 1,559 1,564 1.651,565 2.129,566 2.995,567 -0.265,568 1,569 1,571 1,573 63.392,574 1.713,575 3.666,576 4.355,577 4.669,578 4.669,579 4.669,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,589 1,590 1,591 192.75,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.5,606 1,607 0.405,608 98.781,609 -0.084,610 -0.172,611 0.062,612 0.006,613 -0.106,614 0.018,615 -0.123,616 0.077,617 -0.021,618 0.074,619 0.008,620 0.038,621 -0.075,622 -0.166,623 0.023,624 -0.028,625 -0.056,626 0.003,627 -0.053,628 0.015,629 0.092,630 0.088,631 -0.021,632 0.073,633 0.068,634 0.193,635 -0.109,636 0.057,637 0.112,638 0.041,639 -0.126,640 -0.104,641 -0.315,642 -0.304,643 -0.143,644 -0.317,645 0.122,646 -0.126,647 -0.132,648 -0.235,649 0.045,650 -0.265,651 0.035,652 -0.084,653 0.096,654 -0.079,655 0.025,656 -0.021,657 1.445,658 3.685,659 0.955,660 14.38,661 1.009,662 1.117,663 2.544,664 6.472,665 0.707,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.671,678 313.41,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 8.1,695 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,728 1,731 37,733 16,734 1,735 25,737 40,738 16,739 12,740 2,741 4,746 4,747 5,761 12,762 4,777 1,778 1,781 15,782 5,783 1,784 6,785 1,790 3,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,842 1,848 22,853 1,854 4,856 1,859 1,865 1,870 5.4,872 1,874 1,877 10.333,878 6.633,879 4.778,880 2.201,881 3.064,882 1.427,883 1.003,884 3.681,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.124,900 3.5,901 7.652,902 15.699,904 13.147,905 2.152,906 47.333,910 164.795,911 110.436,912 36.695,914 53.683,916 31.278,917 79.158,918 218.479,919 36.695,921 13.396,922 55.03,923 87.254,924 10.782,925 14.845,926 184.302,928 164.795,929 115.853,930 53.683,931 31.278,933 167.123,934 42.683,935 11,937 15.54,938 64.414,939 33.571,940 31.278,941 164.795,942 90.379,943 110.436,946 164.795,947 55.405,948 58.155,950 87.254,951 164.795,952 90.379,953 110.436,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.05,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,970 1,974 13.915,975 5.82,976 2.698,977 2.047,978 90.379,979 11.107,980 9.399,983 1.658,984 2.645,986 42.683,987 365.61,988 33,999 37.338,1000 41.325,1001 0.329,1002 0.704,1003 0.836,1004 0.896,1005 0.896,1006 0.896,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.121,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.569,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.587,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.892,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.354,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.056,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.285,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.178,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.309,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.293,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.385,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.414,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.491,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.543,1133 4548,1134 7728,1135 17.394,1136 26.142,1137 37.966,1138 37.939,1139 38.154,1140 37.754,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 34.944,1146 5.604,1147 5.305,1148 6.534,1149 5.227,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 4.97,1155 5.832,1156 1.519,1157 1.518,1158 1.526,1159 1.51,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.398,1165 4.083,1166 4.107,1167 4.317,1168 4.048,1169 6.471,1170 4.01,1171 3.854,1172 3.875,1173 3.853,1174 3.811,1175 5.046,1176 3.794,1177 3.72,1178 3.768,1179 3.64,1180 3.518,1181 4.616,1182 3.527,1183 3.249,1184 3.291,1185 3.336,1186 3.113,1187 4.587,1188 3.113,1189 3.111,1190 3.206,1191 2.912,1192 2.941,1193 4.275,1194 2.91,1195 2.961,1196 3.001,1197 2.866,1198 2.766,1199 3.963,1200 2.78,1201 2.915,1202 2.964,1203 2.814,1204 2.745,1205 3.551,1206 2.745,1207 2.65,1208 2.723,1209 2.686,1210 2.51,1211 3.51,1212 2.461,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.124,1225 0.119,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 2.97,1231 1.936,1232 1.912,1233 2.013,1234 2.061,1235 1.218,1236 2.047,1237 1.773,1238 1.74,1239 1.924,1240 1.943,1241 1.081,1242 1.942,1243 1.594,1244 1.548,1245 1.72,1246 1.77,1247 0.856,1248 1.76,1249 1.38,1250 1.374,1251 1.513,1252 1.433,1253 0.825,1254 1.493,1255 1.153,1256 1.064,1257 1.394,1258 1.376,1259 0.621,1260 1.429,1261 0.969,1262 0.944,1263 1.147,1264 1.154,1265 0.25,1266 1.135,1267 0.883,1268 0.838,1269 1.102,1270 1.097,1271 0.222,1272 1.11,1273 0.72,1274 0.652,1275 1.019,1276 1.011,1277 0.132,1278 1.044,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1294 9.685,1295 3.115,1297 5.431,1300 2.246,1305 24.842,1306 63.392,1307 135.63,1308 161.14,1309 172.75,1310 172.75,1311 172.75,1312 26.199,1313 7.182,1314 58.48,1315 86.72,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 153.689,1325 253.83,1326 366.761,1327 11480,1329 14.941,1330 0.679,1331 0.578,1332 15.295,1333 12.714,1334 10.81,1335 0.432,1336 0.323,1337 7.149,1338 9.907,1339 6.955,1340 5.679,1341 11.264,1342 8.064,1343 9.68,1344 0.277,1345 0.173,1346 10.237,1347 6.072,1348 8.347,1349 0.174,1350 0.096,1351 9.036,1352 4.6,1353 7.33,1354 0.111,1355 0.052,1356 8.114,1357 3.459,1358 5.998,1359 0.071,1360 0.027,1361 6.595,1362 2.264,1363 0.348,1364 72.368,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 351.681,1370 153.898,1371 357.698,1372 495.4,1373 338,1374 143,1375 352.517,1376 176.134,1377 369.526,1378 547.87,1379 349,1380 8.651}
{0 CHEMBL541647,1 1.682,2 7.053,3 2.93,4 8.587,5 77.811,6 8.48,7 0.682,8 3.616,9 3.713,10 3.376,11 3.24,12 4.656,13 3.2,14 4.171,15 4.324,16 3.772,17 3.659,18 5.164,19 3.592,20 4.338,21 4.525,22 3.843,23 3.745,24 5.253,25 3.647,26 4.279,27 4.482,28 3.689,29 3.7,30 5.174,31 3.569,32 4.212,33 4.411,34 3.504,35 3.591,36 5.135,37 3.448,38 4.127,39 4.331,40 3.298,41 3.399,42 5.043,43 3.279,44 3.896,45 4.131,46 2.773,47 3.069,48 4.771,49 2.943,50 3.644,51 3.902,52 2.277,53 2.794,54 4.382,55 2.593,56 0.011,57 0.494,58 5.796,59 2.98,60 4.118,61 3.448,62 0.214,63 0.857,64 13.13,65 5.254,66 14.591,67 5.751,68 0.262,69 1.008,70 19.092,71 6.599,72 14.945,73 7.828,74 0.144,75 0.961,76 17.694,77 6.804,78 12.924,79 8.073,80 0.182,81 0.889,82 20.163,83 6.942,84 16.931,85 7.743,86 0.16,87 0.796,88 16.973,89 5.647,90 14.82,91 6.367,92 0.179,93 0.567,94 10.371,95 3.92,96 14.931,97 5.123,98 0.043,99 0.407,100 8.583,101 3.77,102 9.076,103 5.184,105 31,106 0.311,107 0.626,108 0.751,109 0.797,110 0.809,111 0.809,112 3.013,113 0.982,114 -3.6,115 -3.57,116 -3.4,119 43.8,125 4,142 4,143 1,146 1,147 1,148 1,152 2,172 4,174 2,175 1,183 6,186 1,187 4,195 4,198 1,199 4,207 1,211 1,212 5,224 5,236 1,237 1,250 2,263 2,275 371,276 13.483,277 13.483,278 13.483,279 13.483,280 13.483,281 11.825,282 10.455,283 8.106,284 14.028,285 10.914,286 10.914,287 10.914,288 10.914,289 10.914,290 8.399,291 14.862,292 3.859,293 11.81,294 3.318,295 1.613,296 0.938,297 0.688,298 0.625,299 0.625,300 3.72,303 1,304 1,305 1,306 304,307 1.732,310 23.335,311 111.725,314 95.884,318 1.014,319 11.138,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 40.5,331 134,332 4.755,333 3.352,334 6.915,335 4.223,336 3.287,337 4.846,338 0.86,339 11.661,340 3.075,341 4.091,342 2.973,343 6.285,344 3.715,345 2.78,346 3.696,347 0.8,348 9.412,349 2.595,350 3.518,351 2.394,352 5.453,353 3.12,354 2.182,355 2.889,357 6.691,358 2.038,359 3.201,360 2.077,361 4.935,362 2.736,363 1.829,364 2.443,366 5.375,367 1.649,368 2.984,369 1.743,370 4.238,371 2.489,372 1.58,373 2.141,375 3.79,376 1.426,377 2.82,378 1.493,379 3.812,380 2.258,381 1.349,382 1.977,384 3.066,385 1.223,386 2.642,387 1.319,388 3.604,389 2.242,390 1.304,391 1.687,393 2.912,394 1.205,395 2.274,396 1.256,397 3.511,398 1.952,399 1,400 1.239,402 2.524,403 0.946,404 2,405 1.091,406 3.247,407 1.922,408 1,409 1,411 2.136,412 0.915,413 1.842,414 0.444,415 3.08,416 1.276,417 0.399,418 0.569,420 1.006,421 0.343,422 0.966,423 -0.275,424 2.465,425 0.517,426 -0.399,427 -0.493,428 -0.966,429 -0.361,430 0.799,431 -0.36,432 2.405,433 0.243,434 -0.701,435 -1,436 -1.78,437 -0.641,438 0.572,439 -0.701,440 2.139,441 0.114,442 -0.828,443 -1.023,445 -1.958,446 -0.777,447 0.317,448 -0.755,449 2,450 -0.034,451 -1,452 -1.052,454 -2.347,455 -0.846,456 0.203,457 -0.959,458 1.786,459 -0.149,460 -1,461 -1.396,463 -2.421,464 -0.967,465 9.367,466 0.493,467 0.325,468 0.017,469 25.75,470 1.355,471 12.5,472 0.658,473 13.25,474 0.697,475 13.66,476 0.719,477 19.433,478 0.607,479 14.437,480 0.76,481 4.869,482 0.256,483 4.563,484 0.24,487 0.31,493 0.853,494 1.272,495 0.673,496 0.923,497 0.715,498 0.859,499 1.444,500 0.787,501 0.873,502 0.689,503 1.182,504 0.744,505 1.029,506 1.061,507 0.932,508 0.933,509 0.908,510 0.857,511 0.697,512 1.038,513 1.054,514 1.023,515 0.817,516 0.989,517 0.8,518 1.153,519 1.51,520 1.361,521 0.939,522 1.13,523 1.122,524 1.247,525 1.384,526 1.384,527 1.235,528 1.262,529 1.171,530 0.813,531 0.86,532 0.868,533 1.357,534 1.161,535 0.503,536 1.022,537 0.727,538 1.097,539 0.703,540 1.321,541 2,543 2,544 1.514,545 0.622,546 0.507,547 0.241,548 0.036,549 0.029,550 0.007,551 3294,552 8457,553 2.273,554 40.6,556 12,558 1,564 1.608,565 2.235,566 2.87,567 -0.724,569 1,571 1,573 53.836,574 1.682,575 3.387,576 4.063,577 4.313,578 4.375,579 4.375,580 2.249,581 3.932,582 4.222,583 2.925,584 500.139,585 7.213,586 4695.76,587 1,588 1,589 1,590 1,591 160,592 0.9,593 4.22,594 0.091,596 0.065,597 0.049,598 0.023,599 0.022,600 0.013,601 0.003,602 0.005,603 0.003,604 0.274,605 0.67,606 1,608 79.974,609 -0.016,610 -0.229,611 0.086,612 -0.04,613 0.063,614 -0.007,615 -0.175,616 0.278,617 0.034,618 0.236,619 -0.139,620 0.123,621 0.007,622 -0.046,623 0.11,624 0.081,625 0.007,626 0.093,627 -0.01,628 -0.009,629 -0.005,630 0.005,631 0.011,632 -0.015,633 -0.001,634 -0.111,635 -0.261,636 -0.206,637 0.008,638 -0.132,639 -0.144,640 -0.222,641 -0.323,642 -0.378,643 -0.199,644 -0.317,645 -0.06,646 0.085,647 -0.182,648 -0.106,649 -0.22,650 -0.226,651 0.134,652 -0.277,653 -0.014,654 -0.253,655 0.063,656 -0.256,657 0.726,658 1.911,659 1,660 10.87,661 1.004,662 1.116,663 2.37,664 5.617,665 0.716,666 3.135,667 3.466,668 3.829,669 4.174,670 4.443,671 4.522,672 4.71,673 4.836,674 4.779,675 4.796,676 4.302,677 0.675,678 271.37,679 3.135,680 4.673,681 5.557,682 6.457,683 7.362,684 8.274,685 9.187,686 10.104,687 11.021,688 11.94,689 9.4,695 1,699 2,703 4,704 5,705 2,708 1,709 1,711 15,726 1,731 32,733 15,734 1,735 22,737 35,738 14,739 10,740 2,741 4,746 4,747 7,761 10,762 4,777 1,778 1,781 13,782 4,784 5,785 1,790 3,794 0.5,795 1,806 1,811 1,812 3,815 2,839 1,840 2,842 1,848 19,854 4,856 1,859 1,865 1,870 3.1,874 1,877 8.5,878 5.85,879 4.139,880 1.983,881 3.277,882 1.459,883 1.056,884 2.765,885 10.415,886 3.418,887 4.082,888 4.812,889 5.54,890 6.175,891 6.618,892 7.138,893 7.606,894 7.765,895 8.059,896 0.8,897 31,898 7.016,900 3.025,901 7.482,902 13.809,904 11.759,905 1.982,906 37.667,907 0.002,910 153.024,911 99.734,912 36.695,914 11,916 31.278,917 68.456,918 164.024,919 36.695,921 13.396,922 37.905,923 56.342,924 16.46,925 3.82,926 172.531,928 153.024,929 105.152,930 11,931 31.278,933 153.024,935 11,937 24.159,938 47.422,939 33.571,940 31.278,941 153.024,942 47.695,943 99.734,946 153.024,947 53.21,948 49.648,950 44.571,951 153.024,952 47.695,953 99.734,955 0.574,956 0.352,957 0.212,958 0.12,959 18,960 6,961 0.029,962 1,963 2,964 1.211,965 3.209,966 153.247,967 0.211,968 19,969 76.711,970 1,974 11.414,975 4.602,976 1.857,977 4.745,978 47.695,979 10.075,980 8.962,983 1.774,984 1.05,987 300.454,988 29.5,999 32.127,1000 35.7,1001 0.336,1002 0.677,1003 0.813,1004 0.863,1005 0.875,1006 0.875,1007 4.642,1008 1,1009 5.525,1010 2.912,1011 4.143,1012 4.766,1013 1.235,1014 6.382,1015 3.993,1016 5.848,1017 1,1018 7.098,1019 2.524,1020 3.611,1021 4.62,1022 0.325,1023 7.368,1024 3.402,1025 7.169,1026 0.399,1027 8.781,1028 2.136,1029 5.753,1030 7.118,1031 0.938,1032 10.555,1033 5.471,1034 8.539,1035 -0.399,1036 10.535,1037 1.006,1038 6.155,1039 7.938,1040 0.268,1041 12.441,1042 5.808,1043 9.953,1044 -0.701,1045 12.334,1046 -0.966,1047 7.707,1048 9.859,1049 0.732,1050 15.122,1051 7.3,1052 11.399,1053 -0.828,1054 14.164,1055 -1.78,1056 8.545,1057 11.114,1058 0.188,1059 17.346,1060 8.067,1061 12.869,1062 -1,1063 16.015,1064 -1.958,1065 9.858,1066 12.815,1067 0.57,1068 19.868,1069 9.323,1070 3.287,1071 -1,1072 17.881,1073 -2.347,1074 10.891,1075 14.258,1076 0.125,1077 22.223,1078 10.283,1079 2.78,1080 11.661,1081 19.759,1082 -2.421,1083 12.114,1084 15.876,1085 0.438,1086 24.693,1087 11.446,1088 2.182,1089 9.412,1090 21.646,1091 4.846,1092 13.23,1093 17.398,1094 0.082,1095 27.101,1096 12.492,1097 1.829,1098 6.691,1099 23.539,1100 3.696,1101 14.422,1102 18.987,1103 0.334,1104 29.556,1105 13.621,1106 1.58,1107 5.375,1108 25.437,1109 2.889,1110 15.575,1111 20.54,1112 0.054,1113 31.987,1114 14.704,1115 1.349,1116 3.79,1117 27.34,1118 2.443,1119 16.757,1120 22.12,1121 0.252,1122 34.438,1123 15.823,1124 1.304,1125 3.066,1126 29.247,1127 2.141,1128 17.926,1129 23.687,1130 0.035,1131 36.881,1132 16.924,1133 3062,1134 5008,1135 15.603,1136 22.926,1137 33.435,1138 33.627,1139 33.798,1140 33.413,1141 33.419,1142 44.973,1143 3.32,1144 97.146,1145 30.83,1146 5.755,1147 5.352,1148 6.717,1149 5.346,1150 5.287,1151 7.846,1152 1.72,1153 19.199,1154 5.075,1156 1.52,1157 1.529,1158 1.536,1159 1.519,1160 1.519,1161 2.044,1162 0.151,1163 4.416,1164 1.401,1165 4.161,1166 4.173,1167 4.398,1168 4.167,1169 5.084,1170 4.121,1171 3.783,1172 3.836,1173 3.696,1174 3.601,1175 4.68,1176 3.616,1177 3.572,1178 3.622,1179 3.498,1180 3.419,1181 4.599,1182 3.421,1183 3.111,1184 3.206,1185 3.332,1186 3.01,1187 4.006,1188 2.946,1189 3.056,1190 3.09,1191 2.886,1192 2.941,1193 3.959,1194 2.91,1195 2.952,1196 3.004,1197 2.866,1198 2.814,1199 3.674,1200 2.813,1201 2.822,1202 2.892,1203 2.694,1204 2.579,1205 3.474,1206 2.599,1207 2.463,1208 2.533,1209 2.379,1210 2.262,1211 3.452,1212 2.253,1213 0.216,1214 0.152,1215 0.314,1216 0.192,1217 0.149,1218 4.755,1219 0.22,1220 3.352,1221 0.039,1222 6.915,1223 0.53,1224 4.223,1225 0.14,1226 3.287,1227 4.846,1228 0.86,1229 11.661,1230 3.075,1231 1.944,1232 1.923,1233 2.022,1234 2.049,1235 1.218,1236 2.037,1237 1.808,1238 1.779,1239 1.928,1240 1.954,1241 1.147,1242 1.964,1243 1.586,1244 1.542,1245 1.679,1246 1.768,1247 0.867,1248 1.769,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.825,1254 1.429,1255 1.012,1256 0.996,1257 1.155,1258 1.143,1259 0.288,1260 1.149,1261 0.932,1262 0.88,1263 1.093,1264 1.094,1265 0.252,1266 1.133,1267 0.736,1268 0.666,1269 1.021,1270 0.987,1271 0.154,1272 1.019,1273 0.623,1274 0.556,1275 0.833,1276 0.799,1278 0.855,1279 3.807,1281 5.13,1282 2.398,1283 6.678,1284 4.844,1285 8.326,1286 7.066,1287 10.023,1295 3.355,1297 5.411,1300 2.295,1305 21.6,1306 53.836,1307 108.39,1308 130,1309 138,1310 140,1311 140,1312 17.809,1313 7.138,1314 38.25,1315 66.49,1316 23,1317 12.449,1318 4,1319 3.087,1320 24.241,1321 49,1322 47,1323 0.254,1324 133.435,1325 213.08,1326 317.342,1327 11042,1329 12.656,1330 0.666,1331 0.589,1332 13.01,1333 11.19,1334 9.433,1335 0.429,1336 0.327,1337 6.354,1338 8.622,1339 6.18,1340 5.035,1341 9.841,1342 7.199,1343 8.265,1344 0.267,1345 0.181,1346 8.88,1347 5.625,1348 7.523,1349 0.167,1350 0.102,1351 8.367,1352 4.606,1353 6.806,1354 0.106,1355 0.058,1356 7.822,1357 3.686,1358 5.828,1359 0.069,1360 0.031,1361 6.793,1362 2.634,1363 0.376,1364 63.162,1365 0.253,1366 18.472,1367 0.769,1368 106,1369 293.531,1370 140.468,1371 302.154,1372 425.89,1373 288,1374 129,1375 303.126,1376 164.651,1377 322.292,1378 482.87,1379 305,1380 5.62}
{0 CHEMBL541906,1 1.643,2 8.692,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.746,25 3.897,26 4.601,27 4.8,28 3.907,29 3.855,30 5.651,31 3.836,32 4.542,33 4.73,34 3.912,35 3.844,36 5.59,37 3.833,38 4.541,39 4.685,40 3.954,41 3.909,42 5.677,43 3.893,44 4.607,45 4.78,46 3.829,47 3.927,48 5.657,49 3.871,50 4.641,51 4.86,52 3.583,53 3.835,54 5.612,55 3.712,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.678,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.666,73 8.985,74 0.414,75 1.234,76 19.854,77 6.951,78 35.696,79 8.788,80 0.448,81 1.158,82 18.509,83 6.602,84 30.702,85 8.129,86 0.469,87 1.168,88 16.077,89 6.546,90 31.306,91 7.651,92 0.368,93 1.219,94 17.908,95 7.335,96 26.58,97 8.827,98 0.385,99 1.152,100 21.607,101 8.924,102 32.599,103 11.786,104 2,105 43,106 0.282,107 0.649,108 0.765,109 0.812,110 0.812,111 0.812,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,119 45.2,125 4,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 6,180 2,183 5,186 4,187 7,192 2,195 2,198 2,199 9,204 1,207 1,211 3,212 5,220 3,223 1,224 7,227 2,232 5,236 1,237 6,245 4,249 1,250 5,253 1,255 1,258 2,263 3,266 1,268 1,275 900,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.811,282 12.611,283 10.751,284 18.623,285 14.868,286 14.868,287 14.868,288 14.868,289 14.868,290 11.289,291 16.024,292 5.169,293 15.639,294 3.749,295 1.617,296 0.941,297 0.667,298 0.667,299 0.667,300 4.024,303 1,304 1,305 1,306 511,307 2.121,310 37.565,311 228.093,314 150.435,318 1.201,319 25.959,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 226,332 4.778,333 3.38,334 6.937,335 4.289,336 3.319,337 4.866,338 0.86,339 11.761,340 3.224,341 4.232,342 2.973,343 6.305,344 3.811,345 2.844,346 3.902,347 0.8,348 9.515,349 2.757,350 4.032,351 2.839,352 6.104,353 3.68,354 2.731,355 3.602,357 8.914,358 2.584,359 3.666,360 2.52,361 5.452,362 3.253,363 2.307,364 3.072,366 6.698,367 2.173,368 3.472,369 2.344,370 5.047,371 3.068,372 2.114,373 2.841,375 6.074,376 2.01,377 3.19,378 2.049,379 4.935,380 2.765,381 1.822,382 2.41,384 5.389,385 1.719,386 2.957,387 1.737,388 4.392,389 2.511,390 1.559,391 2.113,393 4.149,394 1.479,395 2.834,396 1.501,397 4.179,398 2.318,399 1.375,400 1.99,402 3.589,403 1.296,404 2.644,405 1.37,406 3.613,407 2.245,408 1.309,409 1.69,411 2.914,412 1.211,413 2.5,414 1.256,415 3.558,416 2,417 1,418 1.5,420 2.567,421 1,422 2.283,423 1.094,424 3.414,425 1.952,426 1,427 1.246,428 2.275,429 0.946,430 2,431 1,432 3.277,433 1.91,434 1,435 1,436 2.136,437 0.905,438 1.902,439 0.543,440 3.247,441 1.436,442 0.485,443 0.676,445 1.285,446 0.46,447 1.193,448 0.104,449 2.738,450 0.785,451 -0.156,452 -0.2,454 -0.358,455 -0.145,456 0.956,457 -0.27,458 2.65,459 0.525,460 -0.4,461 -0.495,463 -1.052,464 -0.369,465 12.1,466 0.465,467 0.551,468 0.021,469 37.5,470 1.442,471 19,472 0.731,473 18.5,474 0.712,475 18.235,476 0.701,477 26.9,478 0.64,479 26.651,480 1.025,481 7.429,482 0.286,483 5.364,484 0.206,485 0.028,487 0.364,493 0.922,494 1.35,495 0.676,496 1.072,497 0.905,498 0.87,499 1.093,500 1.048,501 0.844,502 0.911,503 0.75,504 0.837,505 0.976,506 1.101,507 0.887,508 0.911,509 0.88,510 0.887,511 0.99,512 1.06,513 0.931,514 0.913,515 0.947,516 0.895,517 1.02,518 0.893,519 0.881,520 0.776,521 0.746,522 0.783,523 0.949,524 1.129,525 1.071,526 1.054,527 0.67,528 1.074,529 0.964,530 1.057,531 1.259,532 1.2,533 0.849,534 1.258,535 0.648,536 1.059,537 1.153,538 1.326,539 0.753,540 1.355,541 4,542 0.05,543 2.889,544 1.576,545 1.195,546 1.257,547 0.612,548 0.18,549 0.227,550 0.156,551 7692,552 21438,553 2.241,554 38.1,556 14,558 1,559 1,564 1.7,565 2.167,566 3.089,567 -0.294,568 1,569 1,571 1,573 69.012,574 1.643,575 3.775,576 4.452,577 4.726,578 4.726,579 4.726,580 2.484,581 4.239,582 4.67,583 3.224,584 1047.69,585 8.141,586 12553.2,587 1,588 1,590 1,591 226.477,592 1.142,593 4.66,594 0.133,595 0.008,596 0.067,597 0.036,598 0.03,599 0.031,600 0.015,601 0.005,602 0.009,603 0.01,604 0.344,605 0.5,606 0.88,607 0.362,608 123.618,609 -0.092,610 -0.256,611 0.06,612 -0.095,613 -0.107,614 -0.008,615 -0.074,616 0.035,617 0.009,618 0.029,619 0.005,620 0.033,621 0.036,622 -0.071,623 0.055,624 0.036,625 0.04,626 0.04,627 -0.102,628 -0.012,629 0.021,630 0.023,631 -0.097,632 0.046,633 -0.077,634 0.159,635 0.056,636 0.167,637 -0.055,638 0.147,639 -0.003,640 -0.054,641 -0.224,642 -0.109,643 0.052,644 -0.192,645 -0.153,646 -0.011,647 -0.384,648 -0.24,649 -0.159,650 -0.327,651 0.081,652 -0.158,653 -0.168,654 -0.297,655 -0.002,656 -0.291,657 1.457,658 3.556,659 0.962,660 20.556,661 1.016,662 1.122,663 2.385,664 5.688,665 0.689,666 3.434,667 3.784,668 4.127,669 4.466,670 4.796,671 4.963,672 5.204,673 5.416,674 5.529,675 5.628,676 5.338,677 0.676,678 348.39,679 3.434,680 4.99,681 5.872,682 6.774,683 7.679,684 8.594,685 9.51,686 10.431,687 11.354,688 12.28,689 9.5,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,728 1,731 42,733 21,734 1,735 30,737 46,738 19,739 15,740 2,741 4,746 5,747 8,761 15,762 4,777 1,778 1,780 1,781 16,782 7,783 1,784 7,790 4,794 0.6,795 3,805 1,806 1,811 1,812 4,815 2,839 1,840 3,848 26,853 1,854 4,856 1,859 1,870 7.1,872 1,874 1,875 1,877 12,878 7.667,879 5.583,880 2.54,881 4.155,882 1.523,883 1.024,884 3.731,885 12.093,886 3.726,887 4.404,888 5.11,889 5.823,890 6.501,891 6.994,892 7.575,893 8.13,894 8.523,895 8.956,896 0.833,897 44,898 9.591,900 4.205,901 7.705,902 18.329,904 15.436,905 2.205,906 57.333,909 1,910 176.567,911 101.103,912 53.481,914 63.191,917 101.103,918 239.757,919 53.481,921 13.396,922 56.857,923 120.218,924 31.91,925 7.164,926 164.795,928 176.567,929 154.584,930 63.191,933 178.894,934 52.191,935 11,937 28.995,938 72.904,939 50.357,941 176.567,942 116.671,943 101.103,946 176.567,947 35.198,948 69.029,950 113.547,951 176.567,952 116.671,953 101.103,955 0.583,956 0.346,957 0.197,958 0.118,959 24,960 9,961 0.043,962 2,963 2,964 1.16,965 3.789,966 242.127,967 0.16,968 25,969 114.211,974 15.558,975 6.236,976 2.713,977 2.796,978 116.671,979 12.394,980 13.818,982 5.988,984 2.378,986 42.683,987 394.341,988 40.5,999 42.691,1000 47.113,1001 0.305,1002 0.7,1003 0.826,1004 0.876,1005 0.876,1006 0.876,1007 4.965,1008 1.375,1009 5.855,1010 4.149,1011 4.466,1012 5.091,1013 1.235,1014 6.706,1015 4.375,1016 6.186,1017 1.309,1018 7.428,1019 3.589,1020 4.007,1021 4.956,1022 0.325,1023 7.662,1024 3.886,1025 7.511,1026 1,1027 9.106,1028 2.914,1029 6.084,1030 7.419,1031 0.938,1032 10.825,1033 5.921,1034 8.878,1035 1,1036 10.846,1037 2.567,1038 6.494,1039 8.187,1040 0.268,1041 12.656,1042 6.309,1043 10.282,1044 1,1045 12.629,1046 2.275,1047 8.015,1048 10.101,1049 0.732,1050 15.33,1051 7.793,1052 11.715,1053 0.485,1054 14.441,1055 2.136,1056 8.834,1057 11.3,1058 0.188,1059 17.517,1060 8.592,1061 13.17,1062 -0.156,1063 16.274,1064 1.285,1065 10.132,1066 12.995,1067 0.57,1068 20.033,1069 9.857,1070 3.319,1071 -0.4,1072 18.122,1073 -0.358,1074 11.144,1075 14.4,1076 0.125,1077 22.371,1078 10.849,1079 2.844,1080 11.761,1081 19.984,1082 -1.052,1083 12.357,1084 16.013,1085 0.438,1086 24.837,1087 12.032,1088 2.731,1089 9.515,1090 21.855,1091 4.866,1092 13.46,1093 17.513,1094 0.082,1095 27.24,1096 13.112,1097 2.307,1098 8.914,1099 23.735,1100 3.902,1101 14.646,1102 19.097,1103 0.334,1104 29.694,1105 14.27,1106 2.114,1107 6.698,1108 25.621,1109 3.602,1110 15.791,1111 20.64,1112 0.054,1113 32.126,1114 15.39,1115 1.822,1116 6.074,1117 27.513,1118 3.072,1119 16.971,1120 22.217,1121 0.252,1122 34.58,1123 16.543,1124 1.559,1125 5.389,1126 29.41,1127 2.841,1128 18.137,1129 23.779,1130 0.035,1131 37.026,1132 17.684,1133 7075,1134 11943,1135 20.978,1136 28.955,1137 45.882,1138 45.935,1139 46.387,1140 45.776,1141 45.727,1142 61.814,1143 3.32,1144 134.528,1145 43.524,1146 5.778,1147 5.38,1148 6.739,1149 5.392,1150 5.319,1151 7.866,1152 1.72,1153 19.309,1154 5.224,1155 6.729,1156 1.529,1157 1.531,1158 1.546,1159 1.526,1160 1.524,1161 2.06,1162 0.111,1163 4.484,1164 1.451,1165 4.183,1166 4.2,1167 4.171,1168 4.047,1169 6.471,1170 4.074,1171 3.894,1172 3.916,1173 3.843,1174 3.821,1175 5.281,1176 3.823,1177 3.768,1178 3.822,1179 3.671,1180 3.567,1181 4.817,1182 3.585,1183 3.536,1184 3.581,1185 3.464,1186 3.369,1187 4.616,1188 3.385,1189 3.125,1190 3.206,1191 3.077,1192 2.948,1193 4.528,1194 2.974,1195 3.111,1196 3.141,1197 2.866,1198 2.941,1199 4.313,1200 2.91,1201 2.938,1202 2.993,1203 2.864,1204 2.735,1205 4.032,1206 2.741,1207 2.854,1208 2.925,1209 2.754,1210 2.716,1211 3.789,1212 2.715,1213 0.159,1214 0.113,1215 0.231,1216 0.143,1217 0.111,1218 4.778,1219 0.162,1220 3.38,1221 0.029,1222 6.937,1223 0.392,1224 4.289,1225 0.107,1226 3.319,1227 4.866,1228 0.86,1229 11.761,1230 3.224,1231 1.956,1232 1.93,1233 2.026,1234 2.081,1235 1.218,1236 2.062,1237 1.848,1238 1.824,1239 1.942,1240 1.975,1241 1.097,1242 1.957,1243 1.749,1244 1.71,1245 1.917,1246 1.942,1247 1.026,1248 1.943,1249 1.545,1250 1.509,1251 1.643,1252 1.771,1253 0.825,1254 1.737,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.696,1260 1.429,1261 0.995,1262 0.984,1263 1.181,1264 1.244,1265 0.257,1266 1.198,1267 0.94,1268 0.91,1269 1.127,1270 1.121,1271 0.218,1272 1.108,1273 0.886,1274 0.821,1275 1.085,1276 1.089,1277 0.176,1278 1.107,1279 4.111,1281 5.451,1282 2.398,1283 7.002,1284 4.844,1285 8.646,1286 7.066,1287 10.34,1294 9.556,1295 2.786,1297 5.464,1300 2.153,1305 28.391,1306 69.012,1307 158.561,1308 186.968,1309 198.477,1310 198.477,1311 198.477,1312 32.522,1313 7.938,1314 84.51,1315 84.51,1316 29,1317 12.785,1318 4.459,1319 3.524,1320 33.554,1321 84,1322 93,1323 0.202,1324 168.877,1325 278.47,1326 403.821,1327 28842,1329 17.51,1330 0.673,1331 0.535,1332 17.51,1333 13.922,1334 12.793,1335 0.426,1336 0.282,1337 8.311,1338 12.185,1339 8.209,1340 6.699,1341 12.793,1342 8.468,1343 11.585,1344 0.269,1345 0.143,1346 11.585,1347 6.153,1348 10.325,1349 0.169,1350 0.074,1351 10.325,1352 4.509,1353 8.993,1354 0.105,1355 0.037,1356 8.993,1357 3.193,1358 7.99,1359 0.067,1360 0.019,1361 7.99,1362 2.261,1363 0.303,1364 80.996,1365 0.218,1366 24.407,1367 0.601,1368 146,1369 450.201,1370 163.654,1371 427.22,1372 598.72,1373 404,1374 177,1375 455.855,1376 196.404,1377 455.488,1378 680.82,1379 431,1380 7.585}
{0 CHEMBL549959,1 1.416,2 7.375,3 1.909,4 3.645,5 85.383,6 8.482,7 0.393,8 3.795,9 3.859,10 3.472,11 3.429,12 4.972,13 3.431,14 4.383,15 4.486,16 3.968,17 3.931,18 5.52,19 3.926,20 4.713,21 4.829,22 4.175,23 4.129,24 5.998,25 4.121,26 4.844,27 4.963,28 4.21,29 4.17,30 6.21,31 4.154,32 4.872,33 5.051,34 3.968,35 4.006,36 6.117,37 3.958,38 4.613,39 4.787,40 3.676,41 3.675,42 6.102,43 3.636,44 4.277,45 4.483,46 3.17,47 3.319,48 5.487,49 3.23,50 3.918,51 4.172,52 2.616,53 2.724,54 5.283,55 2.624,56 0.097,57 0.455,58 5.766,59 3.745,60 19.284,61 3.871,62 0.216,63 0.833,64 12.347,65 6.931,66 44.8,67 7.577,68 0.479,69 1.148,70 18.903,71 9.494,72 83.318,73 10.193,74 0.648,75 1.3,76 21.957,77 10.709,78 112.279,79 11.324,80 0.753,81 1.352,82 27.713,83 11.315,84 105.791,85 12.782,86 0.9,87 1.018,88 22.742,89 8.404,90 177.055,91 9.036,92 0.499,93 0.746,94 16.571,95 6.297,96 75.438,97 7.38,98 0.434,99 0.519,100 13.714,101 4.424,102 84.92,103 5.523,104 26,105 46,106 0.25,107 0.644,108 0.805,109 0.868,110 0.877,111 0.877,112 3.233,113 0.859,114 -3.05,115 -3.05,116 -2.94,119 50,120 1,121 3,123 1,127 1,142 2,143 6,151 1,152 1,157 3,172 12,175 7,180 2,183 18,186 1,187 9,192 3,195 18,198 1,199 12,202 1,204 3,207 13,212 9,215 1,217 2,220 9,223 2,224 6,227 1,229 2,232 6,236 1,237 4,242 1,245 2,250 4,253 1,263 1,275 556,276 15.988,277 15.988,278 15.988,279 15.988,280 15.988,281 14.478,282 19.04,283 8.59,284 15.932,285 13.725,286 13.725,287 13.725,288 13.725,289 13.725,290 11.05,291 26.963,292 3.967,293 13.607,294 3.832,295 1.605,296 0.691,297 0.336,298 0.283,299 0.283,300 3.936,303 1,304 1,305 1,306 402,307 2.915,310 56.345,311 93.062,314 145.387,315 103.743,316 59.873,318 1.156,319 45.891,321 1,322 1,323 0.83,324 1,325 0.6,326 0.5,327 1,328 1,329 0.85,330 53,331 177,332 4.987,333 4.14,334 8.215,335 4.801,336 3.802,337 4.565,338 1.277,339 16.077,340 3.797,341 4.477,342 3.693,343 6.906,344 4.165,345 3.156,346 4.112,347 1.277,348 11.465,349 3.184,350 4.108,351 3.556,352 6.625,353 3.839,354 2.83,355 3.446,356 0.68,357 10.202,358 2.853,359 3.973,360 3.453,361 6.225,362 3.689,363 2.659,364 3.274,366 8.986,367 2.734,368 3.563,369 2.822,370 5.767,371 3.233,372 2.203,373 2.806,375 7.388,376 2.262,377 3.159,378 2.496,379 5.381,380 2.868,381 1.882,382 2.3,384 5.776,385 1.849,386 2.982,387 2.143,388 5.011,389 2.614,390 1.592,391 2.083,393 4.912,394 1.623,395 2.807,396 1.65,397 4.351,398 2.439,399 1.423,400 1.863,402 3.782,403 1.438,404 2.521,405 1.563,406 4.029,407 2.108,408 1.103,409 1.507,411 2.823,412 1.104,413 2.301,414 1.411,415 3.944,416 1.895,417 0.875,418 1.125,420 2.4,421 0.888,422 1.949,423 1.094,424 3.839,425 1.638,426 0.629,427 0.802,428 1.673,429 0.629,430 1.894,431 0.825,432 3.342,433 1.523,434 0.479,435 0.645,436 1.269,437 0.497,438 1.015,439 0.517,440 3.074,441 0.607,442 -0.408,443 -0.492,445 -1.197,446 -0.409,447 0.96,448 0.489,449 2.839,450 0.563,451 -0.502,452 -0.619,454 -1.239,455 -0.509,456 0.724,457 -0.138,458 2.405,459 0.473,460 -0.526,461 -0.711,463 -1.286,464 -0.538,465 11.167,466 0.465,467 0.903,468 0.038,469 30,470 1.25,471 14.5,472 0.604,473 15.5,474 0.646,475 21.79,476 0.908,477 24.833,478 0.654,479 23.239,480 0.968,481 5.509,482 0.23,483 5.932,484 0.247,485 0.164,486 0.045,487 0.493,493 0.651,494 0.882,495 0.641,496 0.868,497 0.587,498 0.779,499 0.66,500 0.861,501 0.629,502 0.846,503 0.588,504 0.757,505 0.844,506 0.993,507 0.832,508 0.983,509 0.894,510 0.923,511 0.929,512 1.185,513 1.023,514 1.184,515 0.947,516 1.144,517 1.059,518 1.121,519 1.108,520 1.125,521 0.947,522 1.13,523 1.242,524 0.932,525 1.209,526 0.944,527 1.159,528 1.037,529 1.04,530 1.071,531 1.213,532 1.093,533 1.018,534 1.178,535 1.111,536 0.852,537 1.063,538 0.859,539 1.332,540 0.926,541 5.5,543 4.889,544 3.41,545 3.129,546 1.375,547 0.66,548 0.278,549 0.123,550 0.06,551 5280,552 16104,553 2.146,554 36.8,555 5,556 3,557 1,559 1,560 4,564 1.68,565 1.933,566 2.826,567 -0.342,568 1,569 1,571 1,573 53.798,574 1.416,575 3.643,576 4.557,577 4.912,578 4.965,579 4.965,580 2.444,581 4.137,582 4.561,583 2.904,584 801.428,585 7.928,586 8482.79,587 1,588 1,590 1,591 199.421,592 1.697,593 4.481,594 0.196,596 0.106,597 0.063,598 0.059,599 0.035,600 0.024,601 0.017,602 0.015,603 0.02,604 0.537,605 0.5,606 0.88,607 0.663,608 107.377,609 -0.05,610 0.095,611 0.024,612 0.097,613 -0.044,614 0.086,615 -0.024,616 0.116,617 0.13,618 0.13,619 -0.014,620 0.165,621 -0.016,622 -0.019,623 0.014,624 -0.015,625 -0.047,626 0.002,627 0.003,628 -0.216,629 -0.141,630 -0.224,631 -0.028,632 -0.225,633 -0.064,634 -0.152,635 -0.072,636 -0.149,637 -0.058,638 -0.122,639 -0.009,640 0.044,641 -0.113,642 0.027,643 0.072,644 -0.05,645 -0.032,646 -0.101,647 -0.108,648 -0.108,649 -0.051,650 -0.125,651 0.037,652 0.124,653 0.212,654 0.143,655 0.012,656 0.209,657 2.268,658 6.031,659 0.792,660 12.931,661 1.022,662 1.104,663 1.824,664 3.326,665 0.7,666 3.367,667 3.85,668 4.304,669 4.71,670 5.043,671 5.288,672 5.521,673 5.759,674 5.894,675 5.986,676 4.327,677 0.691,678 322.33,679 3.367,680 5.004,681 5.958,682 6.934,683 7.907,684 8.887,685 9.866,686 10.847,687 11.828,688 12.811,704 3,707 1,709 7,711 11,716 3,731 38,733 14,734 1,735 28,737 42,738 19,739 10,740 4,741 2,742 3,746 5,747 18,752 1,753 1,754 1,755 4,758 4,761 13,762 6,766 3,771 3,775 3,777 1,778 1,780 1,781 14,782 5,783 1,784 5,794 0.2,795 5,797 1,811 2,812 3,815 3,816 2,817 1,838 1,840 1,844 1,848 24,853 1,854 3,858 1,860 1,870 13.2,871 1,873 3,875 1,877 12.417,878 7.45,879 4.917,880 2.462,881 2.54,882 1.305,883 0.99,884 2.446,885 10.864,886 3.624,887 4.301,888 5.005,889 5.657,890 6.203,891 6.673,892 7.113,893 7.556,894 7.916,895 8.237,896 1,897 54,898 9.09,900 4.465,901 8.094,902 16.861,904 15.631,905 2.594,906 62.25,910 153.024,911 87.083,914 127.625,917 87.083,918 280.65,920 8.825,921 7.604,922 73.375,923 90.835,924 28.621,925 17.22,926 141.253,928 153.024,929 87.083,930 127.625,933 153.024,934 84.942,935 42.683,937 16.429,938 70.655,941 153.024,942 127.625,943 87.083,946 153.024,947 47.566,948 39.517,950 127.625,951 153.024,952 127.625,953 87.083,955 0.623,956 0.407,957 0.234,958 0.13,959 29,960 13,963 5,964 1.474,965 3.3,966 240.73,967 0.526,968 18,969 110.039,974 14.032,975 4.185,976 1.443,978 127.625,979 4.83,982 5.462,984 3.499,986 42.683,987 367.733,988 36.5,993 37.269,997 -0.467,999 38.822,1000 41.953,1001 0.27,1002 0.694,1003 0.868,1004 0.936,1005 0.946,1006 0.946,1007 4.968,1008 1.423,1009 6.043,1010 4.912,1011 4.533,1012 4.987,1013 2.134,1014 7.076,1015 4.55,1016 6.242,1017 1.103,1018 7.751,1019 3.782,1020 4.511,1021 5.085,1023 8.544,1024 4.537,1025 7.629,1026 0.875,1027 9.572,1028 2.823,1029 6.378,1030 7.266,1031 2.492,1032 11.768,1033 6.405,1034 9.055,1035 0.629,1036 11.461,1037 2.4,1038 7.171,1039 8.167,1041 14.08,1042 7.199,1043 10.517,1044 0.479,1045 13.395,1046 1.673,1047 8.607,1048 9.885,1049 2.922,1050 16.94,1051 8.633,1052 12.003,1053 -0.408,1054 15.364,1055 1.269,1056 9.717,1057 11.12,1059 19.555,1060 9.741,1061 13.509,1062 -0.502,1063 17.358,1064 -1.197,1065 11.041,1066 12.686,1067 3.383,1068 22.337,1069 11.062,1070 3.802,1071 -0.526,1072 19.372,1073 -1.239,1074 12.275,1075 14.065,1077 25.056,1078 12.291,1079 3.156,1080 16.077,1081 21.403,1082 -1.286,1083 13.578,1084 15.58,1085 3.858,1086 27.826,1087 13.591,1088 2.83,1089 11.465,1090 23.447,1091 4.565,1092 14.862,1093 17.022,1095 30.581,1096 14.87,1097 2.659,1098 10.202,1099 25.503,1100 4.112,1101 16.17,1102 18.523,1103 4.339,1104 33.353,1105 16.174,1106 2.203,1107 8.986,1108 27.567,1109 3.446,1110 17.475,1111 19.996,1113 36.121,1114 17.475,1115 1.882,1116 7.388,1117 29.64,1118 3.274,1119 18.791,1120 21.494,1121 4.823,1122 38.895,1123 18.787,1124 1.592,1125 5.776,1126 31.718,1127 2.806,1128 20.108,1129 22.982,1131 41.668,1132 20.101,1133 4959,1134 8727,1135 18.323,1136 26.602,1137 46.156,1138 48.247,1139 48.409,1140 45.283,1141 45.269,1142 57.053,1143 6.47,1144 153.505,1145 45.716,1146 5.937,1147 6.14,1148 7.49,1149 5.801,1150 5.802,1151 7.565,1152 2.555,1153 25.019,1154 5.797,1155 12.799,1156 1.648,1157 1.723,1158 1.729,1159 1.617,1160 1.617,1161 2.038,1162 0.231,1163 5.482,1164 1.633,1165 4.164,1166 4.168,1167 4.137,1168 4.095,1169 7.432,1170 4.103,1171 3.908,1172 3.919,1173 3.864,1174 3.815,1175 7.425,1176 3.824,1177 3.526,1178 3.543,1179 3.448,1180 3.367,1181 7.424,1182 3.375,1183 3.477,1184 3.5,1185 3.409,1186 3.313,1187 6.448,1188 3.336,1189 3.2,1190 3.264,1191 3.065,1192 3.055,1193 5.001,1194 3.047,1195 3.111,1196 3.135,1197 3.018,1198 2.928,1199 4.62,1200 2.938,1201 2.852,1202 2.866,1203 2.731,1204 2.576,1205 4.039,1206 2.609,1207 2.768,1208 2.788,1209 2.632,1210 2.45,1211 3.83,1212 2.469,1213 0.178,1214 0.148,1215 0.293,1216 0.171,1217 0.136,1218 4.987,1219 0.163,1220 4.14,1221 0.046,1222 8.215,1223 0.574,1224 4.801,1225 0.136,1226 3.802,1227 4.565,1228 1.277,1229 16.077,1230 3.797,1231 2.032,1232 2.023,1233 2.099,1234 2.098,1235 1.418,1236 2.097,1237 1.736,1238 1.72,1239 1.852,1240 1.854,1241 1.137,1242 1.848,1243 1.538,1244 1.501,1245 1.759,1246 1.719,1247 0.991,1248 1.73,1249 1.382,1250 1.372,1251 1.58,1252 1.607,1253 0.729,1254 1.575,1255 1.238,1256 1.21,1257 1.394,1258 1.447,1259 0.561,1260 1.45,1261 1.139,1262 1.092,1263 1.361,1264 1.365,1265 0.383,1266 1.36,1267 0.951,1268 0.901,1269 1.182,1270 1.154,1271 0.315,1272 1.162,1273 0.71,1274 0.698,1275 0.953,1276 1.051,1277 0.032,1278 1.008,1279 4.043,1281 5.485,1282 3.045,1283 7.141,1284 5.416,1285 8.907,1286 7.564,1287 10.737,1289 1.844,1294 10.715,1295 0.913,1299 -0.934,1301 -0.879,1305 26.262,1306 53.798,1307 138.428,1308 173.157,1309 186.666,1310 188.666,1311 188.666,1312 59.119,1313 8.324,1314 84.58,1315 84.58,1316 28,1317 13.28,1318 3.907,1319 3.248,1320 29.964,1321 66,1322 63,1323 0.251,1324 152.62,1325 276.49,1326 364.153,1327 43467,1329 16.801,1330 0.7,1331 0.542,1332 16.801,1333 13.011,1334 11.441,1335 0.409,1336 0.286,1337 7.928,1338 11.056,1339 7.748,1340 6.251,1341 11.441,1342 8.017,1343 11.414,1344 0.248,1345 0.151,1346 11.414,1347 6.965,1348 11.08,1349 0.152,1350 0.08,1351 11.08,1352 5.864,1353 10.052,1354 0.091,1355 0.041,1356 10.052,1357 4.564,1358 8.545,1359 0.055,1360 0.021,1361 8.545,1362 3.304,1363 0.361,1364 71.866,1365 0.234,1366 21.923,1367 0.803,1368 148,1369 449.092,1370 159.958,1371 423.553,1372 575.37,1373 394,1374 193,1375 419.545,1376 206.067,1377 422.026,1378 641.11,1379 400,1380 9}
{0 CHEMBL550286,1 1.551,2 12.714,3 2.246,4 5.043,5 133.3,6 7.369,7 0.55,8 4.281,9 4.406,10 3.857,11 3.783,12 5.325,13 3.776,14 4.855,15 5.04,16 4.217,17 4.196,18 5.834,19 4.17,20 5.12,21 5.343,22 4.269,23 4.351,24 6.03,25 4.282,26 5.19,27 5.452,28 4.241,29 4.361,30 6.06,31 4.272,32 5.132,33 5.365,34 4.279,35 4.381,36 6.061,37 4.3,38 5.168,39 5.402,40 4.279,41 4.389,42 6.069,43 4.317,44 5.158,45 5.389,46 4.23,47 4.368,48 6.073,49 4.282,50 5.152,51 5.387,52 4.139,53 4.373,54 6.028,55 4.256,56 0.051,57 1.023,58 13.589,59 5.524,60 10.711,61 7.504,62 0.326,63 1.679,64 26.895,65 8.844,66 27.551,67 12.571,68 0.432,69 2.042,70 36.933,71 11.849,72 41.438,73 17.525,74 0.592,75 2.142,76 41.257,77 12.743,78 47.397,79 19.33,80 0.458,81 2.068,82 37.382,83 12.576,84 51.822,85 18.8,86 0.423,87 2.164,88 38.754,89 11.736,90 40.927,91 17.807,92 0.651,93 2.074,94 38.738,95 12.045,96 49.503,97 18.04,98 0.4,99 1.996,100 38.301,101 14.061,102 44.45,103 20.121,104 2,105 56,106 0.245,107 0.588,108 0.775,109 0.845,110 0.845,111 0.845,112 3.589,113 0.917,114 -4.37,115 -4.31,116 -4.06,119 40.6,121 2,125 7,127 1,142 6,143 3,144 1,145 3,147 1,149 1,161 1,166 1,172 6,174 3,175 14,180 2,183 6,186 2,187 8,192 2,195 2,198 7,199 7,204 1,207 5,211 2,212 8,215 2,220 4,223 1,224 12,232 5,236 3,237 6,240 2,242 1,245 5,249 3,250 7,253 1,258 3,262 1,263 7,268 2,271 3,275 2432,276 24.447,277 24.447,278 24.447,279 24.447,280 24.447,281 21.909,282 29.163,283 14.625,284 25.116,285 19.834,286 19.834,287 19.834,288 19.834,289 19.834,290 16.006,291 39.253,292 7.038,293 20.938,294 4.449,295 2.285,296 1.098,297 0.656,298 0.656,299 0.656,300 4.312,305 1,306 1001,307 2.55,310 77.411,311 523.009,314 140.906,318 2.041,319 28.046,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 75.5,331 445,332 4.694,333 3.38,334 6.903,335 4.238,336 3.289,337 4.638,338 0.916,339 11.617,340 3.12,341 4.19,342 3.077,343 6.33,344 3.826,345 2.87,346 3.81,347 0.86,348 9.599,349 2.757,350 3.994,351 2.948,352 6.124,353 3.727,354 2.768,355 3.457,356 0.8,357 9.006,358 2.645,359 3.928,360 2.872,361 5.637,362 3.601,363 2.649,364 3.353,365 0.172,366 7.742,367 2.53,368 3.603,369 2.553,370 5.516,371 3.321,372 2.365,373 2.996,375 7.121,376 2.247,377 3.519,378 2.416,379 5.05,380 3.169,381 2.223,382 2.605,384 6.096,385 2.096,386 3.255,387 2.336,388 5.044,389 3.029,390 2.088,391 2.345,393 6.032,394 1.956,395 2.953,396 2.119,397 4.744,398 2.651,399 1.734,400 2.139,402 4.819,403 1.587,404 2.924,405 1.579,406 4.326,407 2.424,408 1.471,409 2.042,411 4.039,412 1.396,413 2.817,414 1.532,415 4.082,416 2.384,417 1.427,418 1.91,420 3.225,421 1.362,422 2.651,423 1.487,424 3.751,425 2.169,426 1.257,427 1.716,428 2.992,429 1.154,430 2.5,431 1.256,432 3.587,433 2.14,434 1.175,435 1.5,436 2.887,437 1.117,438 2.489,439 1.194,440 3.476,441 1.992,442 1.038,443 1.484,445 2.527,446 0.986,447 2.381,448 1.077,449 3.414,450 1.984,451 1,452 1.369,454 2.275,455 0.983,456 2.003,457 1.06,458 3.414,459 1.956,460 1,461 1,463 2.136,464 0.953,465 16.467,466 0.47,467 0.688,468 0.02,469 45.5,470 1.3,471 21,472 0.6,473 24.5,474 0.7,475 31.976,476 0.914,477 37.533,478 0.586,479 34.915,480 0.998,481 8.797,482 0.251,483 8.445,484 0.241,485 0.02,487 0.316,493 0.881,494 1.474,495 0.775,496 1.171,497 0.835,498 0.994,499 1.204,500 1.143,501 0.964,502 0.958,503 0.75,504 0.924,505 1.064,506 1.206,507 1.011,508 1.039,509 0.856,510 1.018,511 0.812,512 0.857,513 0.929,514 0.855,515 0.8,516 0.887,517 0.699,518 1.112,519 0.909,520 1.012,521 0.738,522 0.988,523 1.072,524 1.12,525 1.097,526 1.023,527 0.879,528 1.035,529 0.974,530 1.011,531 1.137,532 1.024,533 0.903,534 1.077,535 0.764,536 1.001,537 1.079,538 1.192,539 0.815,540 1.183,541 5.5,542 0.155,543 3.333,544 1.722,545 1.676,546 1.219,547 0.893,548 0.52,549 0.32,550 0.246,551 19267,552 46457,553 2.227,554 45.3,556 21,558 3,559 1,562 4,564 1.771,565 2.165,566 3.583,567 -0.345,573 99.256,574 1.551,575 3.715,576 4.902,577 5.344,578 5.344,579 5.344,580 3.057,581 4.786,582 5.094,583 3.798,584 2259.85,585 8.968,586 34759.8,591 384,592 1.069,593 5.093,594 0.138,595 0.005,596 0.06,597 0.03,598 0.03,599 0.021,600 0.016,601 0.01,602 0.007,603 0.006,604 0.322,605 0.17,606 0.75,607 0.293,608 188.159,609 0.007,610 -0.258,611 0.084,612 -0.102,613 0.001,614 -0.019,615 -0.111,616 0.003,617 -0.024,618 0.021,619 0.019,620 0.011,621 -0.077,622 -0.156,623 -0.046,624 -0.062,625 0.001,626 -0.055,627 0.039,628 0.169,629 0.056,630 0.089,631 0.004,632 0.078,633 0.097,634 -0.071,635 0.041,636 -0.019,637 0.059,638 -0.001,639 -0.162,640 -0.034,641 -0.135,642 -0.076,643 -0.138,644 -0.09,645 0.014,646 0.051,647 -0.168,648 -0.067,649 -0.069,650 -0.127,651 0.039,652 -0.005,653 -0.131,654 -0.17,655 0.04,656 -0.172,657 1.464,658 4.046,659 0.943,660 42.183,661 1.001,662 1.132,663 3.143,664 9.878,665 0.661,666 3.714,667 4.043,668 4.357,669 4.673,670 4.963,671 5.1,672 5.352,673 5.565,674 5.727,675 5.872,676 7.52,677 0.631,678 471.62,679 3.714,680 5.263,681 6.129,682 7.017,683 7.902,684 8.8,685 9.697,686 10.602,687 11.506,688 12.417,689 10.9,692 1,695 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,728 1,731 64,733 22,734 1,735 40,737 69,738 26,739 16,740 2,741 4,746 6,747 7,755 3,758 3,761 16,762 10,781 29,782 8,783 1,784 9,790 7,794 0.833,795 2,803 1,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,853 1,854 9,856 1,858 1,859 2,870 3.1,872 1,874 1,877 16.167,878 11.35,879 7.583,880 3.997,881 3.737,882 1.43,883 1,884 6.341,885 12.421,886 3.951,887 4.546,888 5.161,889 5.788,890 6.359,891 6.729,892 7.242,893 7.714,894 8.066,895 8.441,896 1,897 57,898 12.969,900 5.601,901 7.557,902 25.374,904 21.553,905 2.057,906 72,910 329.591,911 124.097,912 75.045,914 53.683,917 124.097,918 383.274,919 75.045,921 24.782,922 56.857,923 157.731,924 46.439,925 2.328,926 294.278,928 329.591,929 199.142,930 53.683,933 284.834,934 89.768,935 11,937 58.541,938 71.254,939 67.02,941 329.591,942 128.728,943 124.097,946 329.591,947 40.098,948 92.025,950 120.703,951 329.591,952 128.728,953 124.097,955 0.578,956 0.338,957 0.191,958 0.109,959 29,960 11,961 0.072,962 5,963 1,964 1.061,965 4.634,966 353.02,967 0.061,968 33,969 171.525,974 22.414,975 9.901,976 4.743,977 1.819,978 126.951,979 16.922,980 18.953,984 3.728,985 2.092,986 42.683,987 582.416,988 51,999 64.087,1000 72.474,1001 0.258,1002 0.619,1003 0.817,1004 0.891,1005 0.891,1006 0.891,1007 5.196,1008 1.734,1009 6.098,1010 6.032,1011 4.727,1012 5.234,1013 1.598,1014 6.915,1015 4.624,1016 6.377,1017 1.471,1018 7.649,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.803,1024 4.05,1025 7.673,1026 1.427,1027 9.303,1028 4.039,1029 6.315,1030 7.422,1031 1.256,1032 10.951,1033 6.116,1034 9.006,1035 1.257,1036 11.02,1037 3.225,1038 6.661,1039 8.048,1040 0.581,1041 12.724,1042 6.411,1043 10.377,1044 1.175,1045 12.781,1046 2.992,1047 8.197,1048 9.963,1049 1.023,1050 15.378,1051 7.903,1052 11.776,1053 1.038,1054 14.571,1055 2.887,1056 8.956,1057 11.04,1058 0.515,1059 17.521,1060 8.611,1061 13.198,1062 1,1063 16.384,1064 2.527,1065 10.254,1066 12.72,1067 0.84,1068 20.017,1069 9.863,1070 3.289,1071 1,1072 18.215,1073 2.275,1074 11.219,1075 14.025,1076 0.441,1077 22.323,1078 10.774,1079 2.87,1080 11.617,1081 20.059,1082 2.136,1083 12.421,1084 15.607,1085 0.689,1086 24.771,1087 11.929,1088 2.768,1089 9.599,1090 21.914,1091 4.638,1092 13.488,1093 17.027,1094 0.373,1095 27.148,1096 12.941,1097 2.649,1098 9.006,1099 23.778,1100 3.81,1101 14.657,1102 18.57,1103 0.564,1104 29.585,1105 14.06,1106 2.365,1107 7.742,1108 25.65,1109 3.457,1110 15.775,1111 20.046,1112 0.314,1113 31.997,1114 15.123,1115 2.223,1116 7.121,1117 27.529,1118 3.353,1119 16.937,1120 21.577,1121 0.461,1122 34.435,1123 16.233,1124 2.088,1125 6.096,1126 29.414,1127 2.996,1128 18.081,1129 23.081,1130 0.264,1131 36.864,1132 17.322,1133 17525,1134 27374,1135 28.027,1136 42.324,1137 60.456,1138 60.47,1139 60.737,1140 60.31,1141 60.236,1142 76.671,1143 5.498,1144 172.635,1145 57.082,1146 5.694,1147 5.38,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.12,1155 8.124,1156 1.511,1157 1.512,1158 1.518,1159 1.508,1160 1.506,1161 1.917,1162 0.137,1163 4.316,1164 1.427,1165 4.141,1166 4.192,1167 4.116,1168 3.982,1169 6.471,1170 4.008,1171 3.913,1172 3.962,1173 3.841,1174 3.805,1175 5.132,1176 3.808,1177 3.871,1178 3.902,1179 3.815,1180 3.776,1181 4.896,1182 3.783,1183 3.775,1184 3.831,1185 3.67,1186 3.614,1187 4.677,1188 3.616,1189 3.686,1190 3.745,1191 3.572,1192 3.481,1193 4.616,1194 3.496,1195 3.286,1196 3.358,1197 3.224,1198 3.067,1199 4.431,1200 3.09,1201 3.142,1202 3.209,1203 3.027,1204 2.982,1205 4.261,1206 2.988,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.996,1212 2.91,1213 0.117,1214 0.085,1215 0.173,1216 0.106,1217 0.082,1218 4.694,1219 0.116,1220 3.38,1221 0.023,1222 6.903,1223 0.29,1224 4.238,1225 0.078,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.12,1231 1.95,1232 1.919,1233 2.068,1234 2.105,1235 1.425,1236 2.091,1237 1.889,1238 1.844,1239 2.013,1240 2.041,1241 1.219,1242 2.037,1243 1.803,1244 1.765,1245 1.94,1246 1.945,1247 1.085,1248 1.945,1249 1.759,1250 1.707,1251 1.927,1252 1.937,1253 1.067,1254 1.939,1255 1.578,1256 1.531,1257 1.715,1258 1.774,1259 0.871,1260 1.76,1261 1.305,1262 1.224,1263 1.513,1264 1.597,1265 0.825,1266 1.564,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.496,1276 1.376,1277 0.679,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.867,1286 6.862,1287 10.534,1294 10.046,1295 7.861,1297 5.569,1299 0.28,1300 4.73,1305 40.374,1306 99.256,1307 237.741,1308 313.735,1309 342,1310 342,1311 342,1312 49.215,1313 8.684,1314 92.43,1315 92.43,1316 35,1317 12.933,1318 4.524,1319 3.585,1320 46.924,1321 152,1322 189,1323 0.145,1324 242.09,1325 408.78,1326 582.458,1327 77214,1329 23.614,1330 0.675,1331 0.561,1332 23.614,1333 19.623,1334 17.242,1335 0.431,1336 0.306,1337 12.031,1338 16.479,1339 11.846,1340 9.692,1341 17.242,1342 12.231,1343 15.415,1344 0.275,1345 0.165,1346 15.415,1347 9.216,1348 13.42,1349 0.174,1350 0.089,1351 13.42,1352 6.881,1353 11.712,1354 0.11,1355 0.048,1356 11.712,1357 5.04,1358 9.966,1359 0.07,1360 0.026,1361 9.966,1362 3.651,1363 0.227,1364 108.527,1365 0.189,1366 32.103,1367 0.402,1368 192,1369 519.401,1370 211.608,1371 500.543,1372 700.63,1373 474,1374 229,1375 529.509,1376 251.22,1377 532.979,1378 787.02,1379 503,1380 7.328}
{0 CHEMBL550972,1 1.534,2 14.846,3 2.78,4 7.728,5 150.419,6 7.215,7 0.5,8 4.399,9 4.533,10 3.953,11 3.893,12 5.427,13 3.88,14 4.973,15 5.166,16 4.309,17 4.301,18 5.964,19 4.265,20 5.231,21 5.46,22 4.364,23 4.46,24 6.145,25 4.387,26 5.302,27 5.558,28 4.345,29 4.48,30 6.208,31 4.39,32 5.266,33 5.507,34 4.369,35 4.503,36 6.173,37 4.417,38 5.276,39 5.504,40 4.365,41 4.517,42 6.181,43 4.429,44 5.295,45 5.541,46 4.295,47 4.49,48 6.155,49 4.386,50 5.259,51 5.506,52 4.232,53 4.471,54 6.123,55 4.344,56 0.048,57 1.165,58 15.887,59 6.163,60 10.162,61 8.703,62 0.466,63 1.875,64 31.197,65 10.092,66 37.229,67 14.763,68 0.46,69 2.268,70 41.88,71 13.229,72 47.214,73 19.981,74 0.611,75 2.376,76 46.158,77 14.183,78 60.265,79 21.675,80 0.433,81 2.323,82 43.521,83 14.409,84 53.555,85 21.734,86 0.444,87 2.394,88 43.313,89 14.107,90 48.438,91 21.173,92 0.575,93 2.341,94 45.241,95 14.294,96 52.151,97 21.886,98 0.514,99 2.232,100 43.323,101 15.796,102 56.783,103 23.153,104 8,105 61,106 0.236,107 0.582,108 0.755,109 0.815,110 0.821,111 0.821,112 3.693,113 0.928,114 -4.98,115 -4.88,116 -4.57,119 39.7,121 2,124 1,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 12,178 2,179 1,180 2,183 11,186 2,187 8,192 2,195 5,198 6,199 12,204 3,207 5,211 2,212 9,217 2,220 6,223 1,224 13,227 2,229 1,232 8,236 3,237 6,245 6,249 4,250 8,253 4,255 1,258 5,263 11,266 1,271 2,275 3465,276 27.179,277 27.179,278 27.179,279 27.179,280 27.179,281 24.539,282 35.567,283 16.212,284 27.865,285 21.728,286 21.728,287 21.728,288 21.728,289 21.728,290 17.63,291 48.921,292 7.717,293 22.788,294 4.656,295 2.409,296 1.288,297 0.897,298 0.86,299 0.86,300 4.413,305 1,306 1279,307 3.391,310 93.346,311 610.729,314 168.331,318 2.304,319 29.325,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84,331 579,332 4.693,333 3.54,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.184,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.759,350 4,351 3.077,352 6.107,353 3.732,354 2.771,355 3.457,356 0.86,357 8.93,358 2.652,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.367,365 0.8,366 7.742,367 2.546,368 3.815,369 2.818,370 5.517,371 3.485,372 2.524,373 3.16,374 0.247,375 7.324,376 2.416,377 3.526,378 2.538,379 5.464,380 3.317,381 2.352,382 2.689,383 0.172,384 7.105,385 2.25,386 3.453,387 2.414,388 5.044,389 3.062,390 2.112,391 2.605,393 6.052,394 2.012,395 3.256,396 2.344,397 4.784,398 3.013,399 2.036,400 2.345,402 5.327,403 1.963,404 2.966,405 2.12,406 4.743,407 2.654,408 1.734,409 2.165,411 4.819,412 1.593,413 2.933,414 1.58,415 4.412,416 2.44,417 1.488,418 2.042,420 4.248,421 1.413,422 2.816,423 1.535,424 4.083,425 2.414,426 1.427,427 1.906,428 3.225,429 1.405,430 2.529,431 1.486,432 3.76,433 2.152,434 1.251,435 1.54,436 2.992,437 1.119,438 2.5,439 1.256,440 3.587,441 2.043,442 1.097,443 1.5,445 2.881,446 1.032,447 2.5,448 1.12,449 3.425,450 2,451 1,452 1.5,454 2.275,455 1,456 2.387,457 1.097,458 3.414,459 2,460 1,461 1.376,463 2.275,464 1,465 18.367,466 0.471,467 0.756,468 0.019,469 49.5,470 1.269,471 22.5,472 0.577,473 27,474 0.692,475 37.075,476 0.951,477 42.233,478 0.579,479 40.624,480 1.042,481 9.76,482 0.25,483 9.415,484 0.241,485 0.045,487 0.31,493 0.83,494 1.497,495 0.799,496 1.187,497 0.612,498 1.015,499 1.078,500 1.088,501 0.957,502 0.946,503 0.652,504 0.933,505 1.076,506 1.182,507 0.999,508 1.019,509 0.855,510 0.999,511 0.943,512 0.93,513 0.978,514 0.903,515 0.992,516 0.929,517 0.845,518 1.061,519 0.92,520 0.974,521 0.9,522 0.953,523 0.985,524 1.141,525 1.107,526 1.115,527 0.87,528 1.117,529 0.909,530 1.045,531 1.084,532 1.036,533 0.656,534 1.065,535 0.541,536 0.984,537 1,538 1.151,539 0.488,540 1.144,541 6.5,542 0.305,543 3.778,544 1.847,545 1.796,546 1.448,547 1.052,548 0.541,549 0.338,550 0.327,551 25955,552 62170,553 2.187,554 46.6,556 27,558 1,559 2,562 4,564 1.797,565 2.108,566 3.794,567 0.162,573 112.002,574 1.534,575 3.781,576 4.902,577 5.292,578 5.33,579 5.33,580 3.321,581 4.875,582 5.245,583 3.997,584 2961.87,585 9.277,586 50260.2,591 451.857,592 1.154,593 5.243,594 0.148,595 0.007,596 0.062,597 0.029,598 0.029,599 0.023,600 0.017,601 0.009,602 0.006,603 0.007,604 0.337,605 0.17,606 0.75,607 0.762,608 218.386,609 0.015,610 -0.246,611 0.082,612 -0.103,613 0.01,614 -0.018,615 0.034,616 0.064,618 0.044,619 0.084,620 0.018,621 -0.078,622 -0.125,623 -0.028,624 -0.033,625 0.005,626 -0.028,627 -0.017,628 0.104,629 0.006,630 0.054,631 -0.029,632 0.036,633 -0.013,634 -0.026,635 0.04,636 0.028,637 -0.036,638 0.041,639 -0.097,640 -0.06,641 -0.152,642 -0.126,643 -0.115,644 -0.143,645 -0.029,646 -0.006,647 -0.115,648 -0.058,649 -0.055,650 -0.088,651 0.175,652 0.018,653 -0.052,654 -0.125,655 0.13,656 -0.125,657 1.922,658 4.697,659 0.846,660 56.947,661 0.999,662 1.134,663 3.747,664 14.036,665 0.656,666 3.807,667 4.127,668 4.431,669 4.727,670 5.017,671 5.165,672 5.416,673 5.631,674 5.799,675 5.976,676 8.472,677 0.623,678 526.71,679 3.807,680 5.352,681 6.213,682 7.094,683 7.975,684 8.868,685 9.76,686 10.661,687 11.561,688 12.468,689 11,692 1,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 73,733 23,734 2,735 44,737 78,738 29,739 17,740 3,741 9,746 6,747 7,751 1,755 3,758 3,761 18,762 11,766 1,771 1,775 1,781 34,782 9,783 2,784 10,790 8,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 39,854 9,855 2,856 1,858 1,859 2,870 2.7,873 1,874 1,877 18.5,878 13.2,879 8.583,880 4.515,881 3.89,882 1.436,883 1.008,884 7.84,885 12.822,886 4.043,887 4.618,888 5.212,889 5.825,890 6.398,891 6.783,892 7.298,893 7.774,894 8.136,895 8.56,896 1,897 63,898 14.445,900 6.155,901 7.568,902 28.22,904 23.63,905 2.068,906 80.667,910 376.675,911 149.86,912 94.281,914 36.145,917 149.86,918 412.82,919 94.281,920 8.396,921 60.804,922 85.286,923 99.865,924 31.101,925 6.604,926 364.904,928 376.675,929 244.141,930 36.145,933 331.919,934 72.229,935 11,937 76.467,938 115.112,939 50.234,941 376.675,942 130.426,943 149.86,946 376.675,947 47.13,948 110.755,949 36.022,950 86.379,951 376.675,952 130.426,953 149.86,955 0.575,956 0.337,957 0.183,958 0.104,959 30,960 12,961 0.077,962 6,963 1,964 1.061,965 4.959,966 400.288,967 0.061,968 33,969 190.131,974 25.902,975 11.805,976 5.822,977 1.848,978 128.649,979 20.21,980 14.923,984 4.501,985 2.117,986 36.022,987 656.961,988 56,993 11.697,997 -0.256,999 72.956,1000 82.803,1001 0.248,1002 0.611,1003 0.792,1004 0.855,1005 0.861,1006 0.861,1007 5.286,1008 2.036,1009 6.18,1010 6.052,1011 4.812,1012 5.306,1013 2.277,1014 6.987,1015 4.721,1016 6.463,1017 1.734,1018 7.728,1019 5.327,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.757,1026 1.488,1027 9.377,1028 4.819,1029 6.395,1030 7.474,1031 2.617,1032 10.998,1033 6.213,1034 9.087,1035 1.427,1036 11.088,1037 4.248,1038 6.735,1039 8.098,1040 2.398,1041 12.757,1042 6.504,1043 10.454,1044 1.251,1045 12.842,1046 3.225,1047 8.263,1048 9.996,1049 3.311,1050 15.401,1051 7.988,1052 11.848,1053 1.097,1054 14.625,1055 2.992,1056 9.012,1057 11.066,1058 3.429,1059 17.535,1060 8.684,1061 13.263,1062 1,1063 16.431,1064 2.881,1065 10.305,1066 12.737,1067 4.176,1068 20.026,1069 9.932,1070 3.288,1071 1,1072 18.254,1073 2.275,1074 11.26,1075 14.037,1076 4.471,1077 22.326,1078 10.83,1079 2.868,1080 11.616,1081 20.092,1082 2.275,1083 12.457,1084 15.614,1085 5.117,1086 24.771,1087 11.98,1088 2.771,1089 9.594,1090 21.941,1091 4.638,1092 13.516,1093 17.031,1094 5.506,1095 27.147,1096 12.982,1097 2.649,1098 8.93,1099 23.801,1100 3.796,1101 14.681,1102 18.572,1103 6.093,1104 29.583,1105 14.097,1106 2.524,1107 7.742,1108 25.669,1109 3.457,1110 15.793,1111 20.047,1112 6.532,1113 31.995,1114 15.152,1115 2.352,1116 7.324,1117 27.544,1118 3.367,1119 16.952,1120 21.577,1121 7.084,1122 34.432,1123 16.259,1124 2.112,1125 7.105,1126 29.425,1127 3.16,1128 18.093,1129 23.08,1130 7.551,1131 36.861,1132 17.343,1133 23995,1134 37321,1135 30.512,1136 47.853,1137 65.772,1138 67.06,1139 66.863,1140 65.574,1141 65.581,1142 83.017,1143 9.304,1144 186.865,1145 62.615,1146 5.693,1147 5.54,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 12.876,1156 1.495,1157 1.524,1158 1.52,1159 1.49,1160 1.49,1161 1.887,1162 0.211,1163 4.247,1164 1.423,1165 4.143,1166 4.195,1167 4.117,1168 3.987,1169 7.431,1170 4.011,1171 3.931,1172 3.972,1173 3.855,1174 3.855,1175 5.136,1176 3.85,1177 3.896,1178 3.933,1179 3.841,1180 3.802,1181 4.758,1182 3.808,1183 3.782,1184 3.839,1185 3.675,1186 3.626,1187 4.75,1188 3.627,1189 3.694,1190 3.752,1191 3.578,1192 3.484,1193 4.623,1194 3.499,1195 3.547,1196 3.616,1197 3.467,1198 3.255,1199 4.486,1200 3.299,1201 3.287,1202 3.363,1203 3.209,1204 3.079,1205 4.254,1206 3.091,1207 3.16,1208 3.235,1209 3.034,1210 2.989,1211 4.204,1212 2.997,1213 0.107,1214 0.08,1215 0.157,1216 0.096,1217 0.075,1218 4.693,1219 0.105,1220 3.54,1221 0.038,1222 6.903,1223 0.264,1224 4.237,1225 0.071,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.047,1241 1.22,1242 2.048,1243 1.828,1244 1.783,1245 1.988,1246 1.966,1247 1.14,1248 1.968,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.105,1254 1.955,1255 1.584,1256 1.535,1257 1.728,1258 1.807,1259 0.883,1260 1.785,1261 1.424,1262 1.349,1263 1.689,1264 1.718,1265 0.825,1266 1.71,1267 1.316,1268 1.236,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.729,1278 1.429,1279 4.489,1281 5.808,1282 2.398,1283 7.328,1284 4.727,1285 8.937,1286 6.862,1287 10.593,1289 1.593,1295 7.984,1296 5.368,1297 5.605,1299 0.286,1300 4.79,1305 45.449,1306 112.002,1307 276.001,1308 357.818,1309 386.347,1310 389.102,1311 389.102,1312 57.428,1313 8.932,1314 100.44,1315 100.44,1316 35,1317 12.987,1318 4.585,1319 3.7,1320 55.017,1321 189,1322 229,1323 0.136,1324 274.733,1325 469.04,1326 662.11,1327 105252,1329 26.606,1330 0.682,1331 0.57,1332 26.606,1333 22.215,1334 19.174,1335 0.436,1336 0.309,1337 13.388,1338 18.339,1339 13.136,1340 10.811,1341 19.174,1342 13.611,1343 16.913,1344 0.277,1345 0.165,1346 16.913,1347 10.071,1348 14.767,1349 0.178,1350 0.091,1351 14.767,1352 7.524,1353 12.434,1354 0.111,1355 0.048,1356 12.434,1357 5.383,1358 10.609,1359 0.071,1360 0.026,1361 10.609,1362 3.942,1363 0.214,1364 120.584,1365 0.181,1366 35.297,1367 0.37,1368 210,1369 568.007,1370 231.939,1371 547.33,1372 764.41,1373 518,1374 249,1375 575.664,1376 272.719,1377 579.552,1378 855.03,1379 547,1380 7.854}
{0 CHEMBL551440,1 1.564,2 14.846,3 1.629,4 2.655,5 148.262,6 7.329,7 0.5,8 4.391,9 4.526,10 3.957,11 3.869,12 5.436,13 3.865,14 4.964,15 5.159,16 4.311,17 4.277,18 5.968,19 4.249,20 5.214,21 5.441,22 4.367,23 4.437,24 6.142,25 4.372,26 5.292,27 5.549,28 4.346,29 4.462,30 6.209,31 4.378,32 5.248,33 5.485,34 4.372,35 4.487,36 6.168,37 4.407,38 5.271,39 5.502,40 4.368,41 4.494,42 6.189,43 4.414,44 5.271,45 5.515,46 4.296,47 4.464,48 6.151,49 4.37,50 5.237,51 5.481,52 4.234,53 4.456,54 6.118,55 4.334,56 0.058,57 1.17,58 15.405,59 5.859,60 10.486,61 8.34,62 0.503,63 1.86,64 30.652,65 9.51,66 38.178,67 14.082,68 0.498,69 2.229,70 40.827,71 12.561,72 47.75,73 19.143,74 0.694,75 2.329,76 45.655,77 13.622,78 62.828,79 20.956,80 0.448,81 2.286,82 42.299,83 13.936,84 53.128,85 21.085,86 0.514,87 2.365,88 42.999,89 13.338,90 51.161,91 20.324,92 0.63,93 2.284,94 43.899,95 13.326,96 53.868,97 20.623,98 0.555,99 2.184,100 41.995,101 15.291,102 56.874,103 22.362,104 8,105 61,106 0.242,107 0.597,108 0.783,109 0.835,110 0.835,111 0.835,112 3.693,113 0.918,114 -4.06,115 -4.01,116 -3.79,119 38.9,121 2,124 1,125 7,127 1,142 6,143 3,144 1,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 3,175 14,178 2,179 1,180 2,183 6,186 2,187 8,192 2,195 2,198 7,199 11,204 3,207 5,211 2,212 8,217 2,220 4,223 1,224 15,227 2,229 1,232 6,236 3,237 5,245 4,249 5,250 6,253 4,255 1,258 5,262 1,263 8,266 1,271 1,275 3465,276 27.179,277 27.179,278 27.179,279 27.179,280 27.179,281 24.539,282 35.567,283 16.212,284 27.93,285 21.728,286 21.728,287 21.728,288 21.728,289 21.728,290 17.63,291 48.921,292 7.717,293 22.883,294 4.606,295 2.301,296 1.097,297 0.76,298 0.76,299 0.76,300 4.413,306 1279,307 3.391,310 93.346,311 610.729,314 168.331,318 2.304,319 30.578,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 84.5,331 579,332 4.693,333 3.54,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.184,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.759,350 4,351 3.077,352 6.107,353 3.732,354 2.771,355 3.457,356 0.86,357 8.93,358 2.65,359 3.929,360 2.948,361 5.637,362 3.601,363 2.649,364 3.367,365 0.8,366 7.742,367 2.531,368 3.815,369 2.818,370 5.517,371 3.485,372 2.524,373 3.16,374 0.247,375 7.324,376 2.416,377 3.526,378 2.538,379 5.464,380 3.313,381 2.352,382 2.689,383 0.172,384 7.105,385 2.243,386 3.453,387 2.414,388 5.044,389 3.059,390 2.112,391 2.605,393 6.052,394 2.01,395 3.256,396 2.344,397 4.784,398 3.011,399 2.036,400 2.345,402 5.327,403 1.955,404 2.966,405 2.12,406 4.743,407 2.651,408 1.734,409 2.165,411 4.819,412 1.587,413 2.933,414 1.58,415 4.412,416 2.44,417 1.488,418 2.042,420 4.248,421 1.411,422 2.816,423 1.535,424 4.083,425 2.384,426 1.427,427 1.906,428 3.225,429 1.362,430 2.529,431 1.486,432 3.76,433 2.151,434 1.251,435 1.54,436 2.992,437 1.119,438 2.5,439 1.256,440 3.587,441 2.043,442 1.097,443 1.5,445 2.881,446 1.032,447 2.5,448 1.12,449 3.425,450 2,451 1,452 1.5,454 2.275,455 1,456 2.387,457 1.097,458 3.414,459 1.984,460 1,461 1.376,463 2.275,464 0.983,465 18.267,466 0.468,467 0.756,468 0.019,469 50,470 1.282,471 22.5,472 0.577,473 27.5,474 0.705,475 36.755,476 0.942,477 42.333,478 0.588,479 40.943,480 1.05,481 9.84,482 0.252,483 9.334,484 0.239,485 0.046,487 0.312,493 0.836,494 1.559,495 0.782,496 1.216,497 0.603,498 1.021,499 1.099,500 1.091,501 0.949,502 0.928,503 0.666,504 0.913,505 1.074,506 1.201,507 0.999,508 1.034,509 0.855,510 1.008,511 0.94,512 0.875,513 0.978,514 0.876,515 0.995,516 0.914,517 0.819,518 1.102,519 0.92,520 1.02,521 0.892,522 0.985,523 1.017,524 1.124,525 1.108,526 1.091,527 0.895,528 1.099,529 0.953,530 1.033,531 1.106,532 1.028,533 0.694,534 1.067,535 0.531,536 0.962,537 1.013,538 1.176,539 0.494,540 1.173,541 6.5,542 0.305,543 3.778,544 1.847,545 1.796,546 1.448,547 1.052,548 0.541,549 0.338,550 0.327,551 25955,552 64906,553 2.187,554 45.8,556 24,558 3,559 2,562 4,564 1.797,565 2.108,566 3.794,567 0.187,573 112.634,574 1.564,575 3.869,576 5.072,577 5.409,578 5.409,579 5.409,580 3.321,581 4.875,582 5.245,583 3.997,584 2961.87,585 9.277,586 50260.2,591 444.235,592 1.154,593 5.243,594 0.148,595 0.007,596 0.062,597 0.029,598 0.029,599 0.023,600 0.017,601 0.009,602 0.006,603 0.007,604 0.337,605 0.33,606 0.63,607 0.762,608 218.386,609 0.001,610 -0.295,611 0.083,612 -0.127,613 0.02,614 -0.029,615 0.001,616 0.061,617 0.001,618 0.06,619 0.075,620 0.032,621 -0.092,622 -0.144,623 -0.035,624 -0.042,625 -0.001,626 -0.034,627 -0.023,628 0.151,629 0.005,630 0.083,631 -0.039,632 0.053,633 -0.012,634 -0.066,635 0.03,636 -0.002,637 -0.042,638 0.018,639 -0.123,640 -0.046,641 -0.154,642 -0.107,643 -0.131,644 -0.128,645 -0.065,646 0.013,647 -0.141,648 -0.05,649 -0.081,650 -0.092,651 0.177,652 0.047,653 -0.073,654 -0.135,655 0.121,656 -0.146,657 1.926,658 4.694,659 0.846,660 56.947,661 1.002,662 1.137,663 2.828,664 7.995,665 0.654,666 3.807,667 4.127,668 4.431,669 4.727,670 5.017,671 5.165,672 5.416,673 5.631,674 5.799,675 5.976,676 8.472,677 0.624,678 527.7,679 3.807,680 5.352,681 6.213,682 7.094,683 7.975,684 8.868,685 9.76,686 10.661,687 11.561,688 12.468,689 12.5,692 1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 72,733 23,734 1,735 44,737 77,738 28,739 16,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 17,762 11,766 1,771 1,775 1,781 33,782 10,783 2,784 11,790 9,794 0.833,795 2,803 1,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 39,854 9,855 2,856 1,858 1,859 2,870 2.8,873 1,874 1,877 18.5,878 13.067,879 8.583,880 4.426,881 3.89,882 1.436,883 1.006,884 7.794,885 12.822,886 4.043,887 4.618,888 5.212,889 5.825,890 6.398,891 6.783,892 7.298,893 7.774,894 8.136,895 8.56,896 1,897 63,898 14.432,900 6.148,901 7.594,902 28.09,904 23.446,905 2.094,906 81.667,910 364.904,911 139.526,912 111.066,914 36.145,917 139.526,918 401.049,919 111.066,920 8.396,921 60.804,922 56.857,923 140.193,924 49.196,925 6.604,926 329.591,928 364.904,929 250.593,930 36.145,933 320.148,934 72.229,935 11,937 94.562,938 86.683,939 67.02,941 364.904,942 147.211,943 139.526,946 364.904,947 47.13,948 100.421,949 36.022,950 103.164,951 364.904,952 147.211,953 139.526,955 0.575,956 0.337,957 0.183,958 0.104,959 30,960 12,961 0.078,962 6,963 1,964 1.061,965 4.959,966 400.288,967 0.061,968 33,969 194.131,974 25.841,975 11.764,976 5.798,977 1.83,978 145.435,979 17.405,980 19.151,984 4.366,985 2.105,986 36.022,987 651.642,988 56,993 11.694,997 -0.259,999 72.174,1000 81.886,1001 0.254,1002 0.627,1003 0.822,1004 0.877,1005 0.877,1006 0.877,1007 5.286,1008 2.036,1009 6.18,1010 6.052,1011 4.812,1012 5.306,1013 2.277,1014 6.987,1015 4.714,1016 6.463,1017 1.734,1018 7.728,1019 5.327,1020 4.29,1021 5.027,1022 1.404,1023 7.867,1024 4.156,1025 7.757,1026 1.488,1027 9.377,1028 4.819,1029 6.395,1030 7.474,1031 2.617,1032 10.998,1033 6.204,1034 9.087,1035 1.427,1036 11.088,1037 4.248,1038 6.735,1039 8.098,1040 2.398,1041 12.757,1042 6.502,1043 10.454,1044 1.251,1045 12.842,1046 3.225,1047 8.263,1048 9.996,1049 3.311,1050 15.401,1051 7.978,1052 11.848,1053 1.097,1054 14.625,1055 2.992,1056 9.012,1057 11.066,1058 3.429,1059 17.535,1060 8.68,1061 13.263,1062 1,1063 16.431,1064 2.881,1065 10.305,1066 12.737,1067 4.176,1068 20.026,1069 9.922,1070 3.288,1071 1,1072 18.254,1073 2.275,1074 11.26,1075 14.037,1076 4.471,1077 22.326,1078 10.826,1079 2.868,1080 11.616,1081 20.092,1082 2.275,1083 12.457,1084 15.614,1085 5.117,1086 24.771,1087 11.972,1088 2.771,1089 9.594,1090 21.941,1091 4.638,1092 13.516,1093 17.031,1094 5.506,1095 27.147,1096 12.977,1097 2.649,1098 8.93,1099 23.801,1100 3.796,1101 14.681,1102 18.572,1103 6.093,1104 29.583,1105 14.091,1106 2.524,1107 7.742,1108 25.669,1109 3.457,1110 15.793,1111 20.047,1112 6.532,1113 31.995,1114 15.148,1115 2.352,1116 7.324,1117 27.544,1118 3.367,1119 16.952,1120 21.577,1121 7.084,1122 34.432,1123 16.253,1124 2.112,1125 7.105,1126 29.425,1127 3.16,1128 18.093,1129 23.08,1130 7.551,1131 36.861,1132 17.339,1133 23995,1134 38103,1135 30.512,1136 47.097,1137 65.772,1138 67.06,1139 66.863,1140 65.557,1141 65.581,1142 83.017,1143 9.304,1144 186.865,1145 62.352,1146 5.693,1147 5.54,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 2.912,1153 19.165,1154 5.12,1155 12.876,1156 1.495,1157 1.524,1158 1.52,1159 1.49,1160 1.49,1161 1.887,1162 0.211,1163 4.247,1164 1.417,1165 4.142,1166 4.194,1167 4.117,1168 3.985,1169 7.431,1170 4.01,1171 3.916,1172 3.964,1173 3.847,1174 3.813,1175 5.136,1176 3.816,1177 3.89,1178 3.93,1179 3.833,1180 3.782,1181 4.896,1182 3.79,1183 3.776,1184 3.834,1185 3.672,1186 3.615,1187 4.752,1188 3.617,1189 3.69,1190 3.749,1191 3.576,1192 3.482,1193 4.623,1194 3.497,1195 3.547,1196 3.616,1197 3.467,1198 3.254,1199 4.487,1200 3.298,1201 3.281,1202 3.359,1203 3.207,1204 3.06,1205 4.265,1206 3.079,1207 3.153,1208 3.23,1209 3.028,1210 2.982,1211 4.204,1212 2.987,1213 0.107,1214 0.08,1215 0.157,1216 0.096,1217 0.075,1218 4.693,1219 0.105,1220 3.54,1221 0.038,1222 6.903,1223 0.264,1224 4.237,1225 0.071,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.957,1232 1.924,1233 2.068,1234 2.107,1235 1.425,1236 2.093,1237 1.892,1238 1.845,1239 2.023,1240 2.044,1241 1.22,1242 2.042,1243 1.81,1244 1.77,1245 1.943,1246 1.965,1247 1.107,1248 1.96,1249 1.761,1250 1.709,1251 1.929,1252 1.938,1253 1.071,1254 1.939,1255 1.583,1256 1.534,1257 1.727,1258 1.806,1259 0.878,1260 1.784,1261 1.424,1262 1.349,1263 1.688,1264 1.717,1265 0.825,1266 1.71,1267 1.305,1268 1.223,1269 1.513,1270 1.597,1271 0.825,1272 1.564,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.689,1278 1.429,1279 4.489,1281 5.808,1282 2.398,1283 7.328,1284 4.727,1285 8.937,1286 6.862,1287 10.593,1289 1.591,1295 7.806,1296 5.362,1297 5.601,1299 0.27,1300 4.744,1305 44.944,1306 112.634,1307 278.578,1308 365.215,1309 389.48,1310 389.48,1311 389.48,1312 57.681,1313 8.932,1314 113.33,1315 113.33,1316 35,1317 12.987,1318 4.585,1319 3.7,1320 55.017,1321 189,1322 229,1323 0.136,1324 271.935,1325 462.74,1326 655.282,1327 105252,1329 26.606,1330 0.682,1331 0.566,1332 26.606,1333 22.084,1334 19.174,1335 0.436,1336 0.306,1337 13.221,1338 18.264,1339 12.981,1340 10.676,1341 19.174,1342 13.461,1343 16.913,1344 0.277,1345 0.163,1346 16.913,1347 9.947,1348 14.767,1349 0.178,1350 0.089,1351 14.767,1352 7.404,1353 12.434,1354 0.111,1355 0.047,1356 12.434,1357 5.291,1358 10.609,1359 0.071,1360 0.026,1361 10.609,1362 3.857,1363 0.214,1364 121.084,1365 0.181,1366 35.297,1367 0.37,1368 210,1369 587.653,1370 233.327,1371 564.57,1372 785.81,1373 534,1374 249,1375 589.777,1376 274.218,1377 593.192,1378 873.55,1379 559,1380 7.387}
{0 CHEMBL551442,1 1.595,2 11.656,3 0.661,4 0.436,5 120.512,6 7.276,7 0.444,8 4.215,9 4.354,10 3.771,11 3.663,12 5.249,13 3.664,14 4.794,15 4.992,16 4.129,17 4.073,18 5.803,19 4.049,20 5.043,21 5.283,22 4.181,23 4.218,24 5.978,25 4.161,26 5.056,27 5.306,28 4.168,29 4.225,30 6.026,31 4.16,32 5.003,33 5.235,34 4.184,35 4.242,36 5.979,37 4.181,38 5.003,39 5.217,40 4.175,41 4.247,42 5.977,43 4.187,44 5.022,45 5.255,46 4.088,47 4.23,48 5.934,49 4.146,50 5.02,51 5.257,52 3.998,53 4.242,54 5.908,55 4.112,56 0.079,57 0.974,58 13.213,59 4.7,60 8.414,61 6.935,62 0.479,63 1.527,64 26.272,65 7.797,66 34.6,67 11.911,68 0.528,69 1.795,70 35.351,71 9.79,72 44.91,73 15.739,74 0.609,75 1.82,76 36.005,77 10.004,78 54.219,79 15.935,80 0.438,81 1.786,82 33.202,83 10.089,84 46.497,85 15.796,86 0.438,87 1.824,88 32.48,89 9.726,90 40.581,91 15.126,92 0.562,93 1.765,94 33.969,95 9.995,96 41.979,97 15.778,98 0.467,99 1.709,100 33.644,101 12.604,102 47.594,103 18.343,104 8,105 50,106 0.258,107 0.618,108 0.78,109 0.812,110 0.812,111 0.812,112 3.503,113 0.925,114 -3.77,115 -3.73,116 -3.55,119 36.7,121 2,124 1,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 4,174 3,175 9,178 2,179 1,180 4,183 5,186 2,187 6,192 2,195 2,198 5,199 10,202 1,204 3,207 3,211 1,212 8,215 1,217 2,220 2,224 11,227 3,229 2,232 4,236 3,237 3,245 4,249 2,250 2,253 6,255 2,258 4,263 4,266 1,268 2,275 1818,276 22.3,277 22.3,278 22.3,279 22.3,280 22.3,281 20.412,282 31.665,283 13.315,284 22.953,285 17.762,286 17.762,287 17.762,288 17.762,289 17.762,290 14.697,291 43.192,292 6.306,293 18.749,294 4.312,295 2.08,296 1.079,297 0.879,298 0.879,299 0.879,300 4.215,304 1,305 1,306 822,307 3.082,310 72.282,311 365.663,314 129.171,318 1.699,319 27.727,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 70,331 373,332 4.693,333 3.54,334 6.903,335 4.236,336 3.287,337 4.638,338 1.656,339 11.616,340 3.119,341 4.184,342 3.378,343 6.327,344 3.812,345 2.851,346 3.796,347 0.86,348 9.586,349 2.754,350 3.99,351 3.029,352 6.107,353 3.715,354 2.763,355 3.367,356 0.8,357 8.93,358 2.619,359 3.815,360 2.821,361 5.574,362 3.485,363 2.525,364 3.16,365 0.4,366 7.328,367 2.416,368 3.468,369 2.529,370 5.464,371 3.276,372 2.32,373 2.689,374 0.247,375 7.135,376 2.205,377 3.427,378 2.381,379 4.798,380 3.032,381 2.047,382 2.523,384 5.327,385 2.002,386 3.012,387 2.217,388 4.776,389 2.771,390 1.843,391 2.165,393 4.963,394 1.707,395 2.959,396 1.88,397 4.413,398 2.443,399 1.515,400 2.066,402 4.252,403 1.412,404 2.677,405 1.535,406 4.161,407 2.416,408 1.482,409 1.721,411 3.57,412 1.367,413 2.5,414 1.468,415 3.761,416 2.092,417 1.202,418 1.5,420 2.912,421 1.063,422 2.477,423 1.256,424 3.5,425 2,426 1.038,427 1.471,428 2.567,429 1,430 2.242,431 1.102,432 3.414,433 1.987,434 1,435 1.222,436 2.275,437 0.983,438 2,439 1.077,440 3.408,441 1.984,442 1,443 1,445 2.136,446 0.982,447 2,448 1.077,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.955,457 1,458 3.247,459 1.583,460 0.656,461 0.826,463 1.805,464 0.606,465 14.867,466 0.465,467 0.619,468 0.019,469 39.25,470 1.227,471 16.5,472 0.516,473 22.75,474 0.711,475 29.061,476 0.908,477 35.533,478 0.592,479 30.916,480 0.966,481 7.671,482 0.24,483 8.053,484 0.252,485 0.056,487 0.323,493 0.862,494 1.587,495 0.797,496 1.239,497 0.618,498 1.033,499 1.036,500 1.131,501 0.935,502 0.97,503 0.647,504 0.939,505 1.072,506 1.146,507 0.936,508 0.937,509 0.855,510 0.913,511 0.965,512 0.915,513 0.961,514 0.866,515 1.049,516 0.894,517 0.887,518 1.096,519 0.909,520 0.969,521 0.951,522 0.937,523 1.036,524 1.193,525 1.127,526 1.145,527 0.912,528 1.138,529 0.951,530 1.05,531 1.14,532 1.066,533 0.665,534 1.109,535 0.452,536 0.991,537 1.031,538 1.288,539 0.445,540 1.27,541 5,542 0.203,543 3.333,544 1.597,545 1.414,546 1.323,547 0.867,548 0.372,549 0.207,550 0.208,551 13881,552 34855,553 2.174,554 46.7,556 20,558 1,559 3,562 4,564 1.751,565 2.087,566 3.461,567 0.915,569 1,573 95.7,574 1.595,575 3.827,576 4.828,577 5.028,578 5.028,579 5.028,580 2.915,581 4.625,582 4.963,583 3.646,584 1808.19,585 8.721,586 25787.9,588 1,591 354.413,592 1.198,593 4.954,594 0.139,595 0.008,596 0.067,597 0.031,598 0.028,599 0.025,600 0.017,601 0.008,602 0.005,603 0.006,604 0.333,605 0.33,606 0.88,607 0.875,608 166.214,609 -0.026,610 -0.277,611 0.075,612 -0.115,613 -0.003,614 -0.018,615 0.026,616 0.03,617 0.015,618 0.04,619 0.085,620 0.023,621 -0.091,622 -0.102,623 0.037,624 0.048,625 0.009,626 0.06,627 -0.045,628 0.142,629 0.011,630 0.095,631 -0.051,632 0.068,633 -0.047,634 -0.016,635 0.035,636 0.053,637 -0.053,638 0.061,639 -0.144,640 -0.051,641 -0.191,642 -0.134,643 -0.131,644 -0.163,645 -0.077,646 0.04,647 -0.193,648 -0.064,649 -0.081,650 -0.129,651 0.198,652 0.042,653 -0.116,654 -0.201,655 0.137,656 -0.216,657 1.92,658 4.584,659 0.844,660 35.414,661 1.005,662 1.143,663 2.536,664 6.43,665 0.643,666 3.611,667 3.932,668 4.248,669 4.554,670 4.844,671 5.004,672 5.252,673 5.451,674 5.591,675 5.737,676 6.822,677 0.614,678 436.58,679 3.611,680 5.153,681 6.019,682 6.905,683 7.793,684 8.692,685 9.592,686 10.5,687 11.408,688 12.321,689 13.3,691 1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 60,733 17,734 1,735 36,737 64,738 22,739 11,740 2,741 4,746 5,747 6,751 1,755 3,758 3,761 12,762 10,766 1,771 1,775 1,778 1,781 28,782 9,783 3,784 10,790 8,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,835 1,839 1,840 4,844 1,848 32,854 8,855 3,856 1,858 1,859 1,870 3.3,873 1,874 1,877 15.333,878 10.833,879 7.083,880 3.729,881 3.133,882 1.382,883 1.002,884 6.324,885 11.328,886 3.829,887 4.404,888 5.021,889 5.66,890 6.249,891 6.706,892 7.234,893 7.711,894 8.061,895 8.473,896 0.875,897 52,898 11.85,900 5.057,901 7.625,902 23.019,904 19.203,905 2.125,906 68,910 294.278,911 97.188,912 109.167,914 36.145,917 97.188,918 330.422,919 109.167,920 8.396,921 58.698,922 55.916,923 99.865,924 24.792,925 6.604,926 282.506,928 294.278,929 206.355,930 36.145,933 249.521,934 72.229,935 11,937 89.248,938 64.545,939 50.234,941 294.278,942 145.312,943 97.188,946 294.278,947 41.839,948 60.25,949 54.032,950 86.379,951 294.278,952 145.312,953 97.188,955 0.574,956 0.339,957 0.187,958 0.107,959 25,960 10,961 0.063,962 4,963 1,964 1.074,965 4.302,966 308.463,967 0.074,968 27,969 146,974 21.284,975 9.508,976 4.506,977 1.85,978 143.535,979 9.483,980 14.648,984 3.159,985 2.076,986 54.032,987 536.777,988 45,993 11.584,997 -0.254,999 60.305,1000 68.557,1001 0.27,1002 0.648,1003 0.817,1004 0.851,1005 0.851,1006 0.851,1007 5.075,1008 1.515,1009 5.989,1010 4.963,1011 4.615,1012 5.091,1013 2.147,1014 6.812,1015 4.514,1016 6.254,1017 1.482,1018 7.547,1019 4.252,1020 4.111,1021 4.89,1022 1.305,1023 7.735,1024 3.979,1025 7.556,1026 1.202,1027 9.209,1028 3.57,1029 6.209,1030 7.287,1031 2.549,1032 10.879,1033 6.012,1034 8.898,1035 1.038,1036 10.936,1037 2.912,1038 6.581,1039 8.002,1040 2.354,1041 12.679,1042 6.348,1043 10.279,1044 1,1045 12.705,1046 2.567,1047 8.103,1048 9.859,1049 3.285,1050 15.335,1051 7.813,1052 11.688,1053 1,1054 14.504,1055 2.275,1056 8.885,1057 10.999,1058 3.414,1059 17.493,1060 8.55,1061 13.118,1062 1,1063 16.325,1064 2.136,1065 10.177,1066 12.648,1067 4.168,1068 19.992,1069 9.788,1070 3.287,1071 0.656,1072 18.163,1073 2.136,1074 11.158,1075 13.993,1076 4.466,1077 22.304,1078 10.719,1079 2.851,1080 11.616,1081 20.014,1082 1.805,1083 12.359,1084 15.561,1085 5.115,1086 24.755,1087 11.868,1088 2.763,1089 9.586,1090 21.875,1091 4.638,1092 13.436,1093 17.003,1094 5.504,1095 27.136,1096 12.892,1097 2.525,1098 8.93,1099 23.744,1100 3.796,1101 14.607,1102 18.542,1103 6.092,1104 29.575,1105 14.01,1106 2.32,1107 7.328,1108 25.621,1109 3.367,1110 15.731,1111 20.03,1112 6.531,1113 31.989,1114 15.08,1115 2.047,1116 7.135,1117 27.503,1118 3.16,1119 16.896,1120 21.56,1121 7.084,1122 34.428,1123 16.192,1124 1.843,1125 5.327,1126 29.391,1127 2.689,1128 18.045,1129 23.07,1130 7.551,1131 36.858,1132 17.287,1133 13044,1134 20805,1135 24.849,1136 38.569,1137 53.948,1138 55.382,1139 55.116,1140 53.818,1141 53.86,1142 67.149,1143 7.926,1144 154.31,1145 51.094,1146 5.693,1147 5.54,1148 6.705,1149 5.34,1150 5.287,1151 7.638,1152 2.912,1153 19.163,1154 5.119,1155 11.209,1156 1.499,1157 1.538,1158 1.531,1159 1.495,1160 1.496,1161 1.865,1162 0.22,1163 4.286,1164 1.419,1165 4.138,1166 4.19,1167 4.114,1168 3.981,1169 7.431,1170 4.006,1171 3.9,1172 3.939,1173 3.844,1174 3.804,1175 5.135,1176 3.81,1177 3.793,1178 3.857,1179 3.68,1180 3.625,1181 4.752,1182 3.627,1183 3.699,1184 3.762,1185 3.578,1186 3.483,1187 4.624,1188 3.498,1189 3.546,1190 3.615,1191 3.465,1192 3.254,1193 4.493,1194 3.297,1195 3.25,1196 3.33,1197 3.184,1198 3.016,1199 4.322,1200 3.043,1201 3.111,1202 3.206,1203 2.938,1204 2.941,1205 4.204,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.001,1212 2.91,1213 0.13,1214 0.098,1215 0.192,1216 0.118,1217 0.091,1218 4.693,1219 0.129,1220 3.54,1221 0.046,1222 6.903,1223 0.323,1224 4.236,1225 0.087,1226 3.287,1227 4.638,1228 1.656,1229 11.616,1230 3.119,1231 1.955,1232 1.924,1233 2.051,1234 2.101,1235 1.396,1236 2.084,1237 1.841,1238 1.79,1239 2.014,1240 2.014,1241 1.219,1242 2.018,1243 1.773,1244 1.721,1245 1.933,1246 1.964,1247 1.105,1248 1.957,1249 1.583,1250 1.533,1251 1.727,1252 1.808,1253 0.879,1254 1.786,1255 1.424,1256 1.349,1257 1.688,1258 1.717,1259 0.825,1260 1.71,1261 1.261,1262 1.174,1263 1.513,1264 1.583,1265 0.825,1266 1.541,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.688,1272 1.429,1273 1.153,1274 1.064,1275 1.426,1276 1.376,1277 0.587,1278 1.429,1279 4.29,1281 5.609,1282 2.398,1283 7.135,1284 4.727,1285 8.752,1286 6.862,1287 10.42,1289 1.589,1295 6.982,1296 8.749,1297 5.55,1299 0.327,1300 2.257,1305 36.869,1306 95.7,1307 229.61,1308 289.659,1309 301.659,1310 301.659,1311 301.659,1312 46.556,1313 8.195,1314 109.23,1315 109.23,1316 29,1317 12.835,1318 4.17,1319 3.322,1320 45.444,1321 128,1322 162,1323 0.172,1324 223.763,1325 379.12,1326 537.741,1327 39800,1329 21.916,1330 0.685,1331 0.568,1332 21.916,1333 18.174,1334 15.725,1335 0.437,1336 0.308,1337 10.89,1338 14.914,1339 10.72,1340 8.808,1341 15.725,1342 11.106,1343 13.79,1344 0.276,1345 0.161,1346 13.79,1347 8.059,1348 12.134,1349 0.176,1350 0.087,1351 12.134,1352 6.027,1353 10.25,1354 0.109,1355 0.045,1356 10.25,1357 4.271,1358 8.719,1359 0.069,1360 0.024,1361 8.719,1362 3.045,1363 0.266,1364 99.774,1365 0.201,1366 29.594,1367 0.486,1368 172,1369 492.695,1370 193.245,1371 469.307,1372 653.64,1373 444,1374 205,1375 492.678,1376 227.387,1377 491.935,1378 728.93,1379 465,1380 7.638}
{0 CHEMBL552532,1 1.617,2 16.049,3 1.737,4 3.018,5 152.604,6 7.449,7 0.478,8 4.437,9 4.559,10 4.009,11 3.899,12 5.506,13 3.903,14 5.01,15 5.191,16 4.357,17 4.3,18 6.059,19 4.28,20 5.258,21 5.481,22 4.406,23 4.457,24 6.212,25 4.397,26 5.316,27 5.567,28 4.398,29 4.479,30 6.255,31 4.405,32 5.288,33 5.514,34 4.434,35 4.502,36 6.321,37 4.435,38 5.299,39 5.522,40 4.414,41 4.516,42 6.244,43 4.446,44 5.301,45 5.535,46 4.363,47 4.507,48 6.221,49 4.422,50 5.309,51 5.546,52 4.301,53 4.508,54 6.237,55 4.39,56 0.11,57 1.177,58 15.809,59 6.33,60 12.514,61 8.58,62 0.69,63 1.875,64 31.913,65 10.077,66 51.039,67 14.374,68 0.769,69 2.262,70 43,71 13.124,72 61.773,73 19.682,74 0.781,75 2.362,76 46.543,77 13.969,78 64.67,79 21.246,80 0.77,81 2.31,82 44.226,83 14.201,84 90.751,85 21.061,86 0.679,87 2.399,88 44.043,89 13.672,90 58.881,91 20.409,92 0.708,93 2.362,94 44.451,95 13.861,96 57.489,97 21.086,98 0.728,99 2.283,100 45.171,101 16.342,102 72.123,103 23.689,104 10,105 63,106 0.248,107 0.596,108 0.77,109 0.844,110 0.844,111 0.844,112 3.742,113 0.914,114 -3.54,115 -3.51,116 -3.35,119 38.7,121 2,125 9,127 1,142 6,143 3,144 1,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 4,175 14,178 2,180 2,183 6,186 2,187 8,190 1,192 2,195 2,198 7,199 13,204 1,207 5,211 2,212 10,215 1,216 1,220 4,223 1,224 16,227 2,232 6,236 3,237 5,242 2,245 4,249 7,250 6,253 2,255 3,258 5,262 1,263 8,266 1,268 1,271 1,275 4048,276 28.593,277 28.593,278 28.593,279 28.593,280 28.593,281 25.953,282 35.527,283 17.336,284 29.453,285 22.766,286 22.766,287 22.766,288 22.766,289 22.766,290 18.691,291 49.007,292 8.294,293 24.149,294 4.611,295 2.341,296 1.204,297 0.72,298 0.72,299 0.72,300 4.46,306 1447,307 3.674,310 101.342,311 655.875,314 182.12,318 2.598,319 38.738,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.61,330 90,331 658,332 4.693,333 3.652,334 6.903,335 4.237,336 3.288,337 4.638,338 2.186,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.758,350 4,351 3.077,352 6.107,353 3.731,354 2.772,355 3.457,356 0.86,357 8.93,358 2.649,359 3.929,360 2.948,361 5.637,362 3.601,363 2.649,364 3.368,365 0.8,366 7.742,367 2.531,368 3.82,369 2.82,370 5.517,371 3.481,372 2.534,373 3.161,374 0.366,375 7.353,376 2.39,377 3.526,378 2.54,379 5.47,380 3.313,381 2.353,382 2.707,383 0.172,384 7.106,385 2.243,386 3.469,387 2.42,388 5.044,389 3.064,390 2.123,391 2.605,393 6.052,394 1.983,395 3.256,396 2.346,397 4.827,398 3.017,399 2.069,400 2.346,402 5.52,403 1.948,404 2.969,405 2.12,406 4.744,407 2.651,408 1.734,409 2.169,411 4.82,412 1.587,413 2.934,414 2.025,415 4.418,416 2.455,417 1.514,418 2.042,420 4.278,421 1.42,422 2.816,423 1.58,424 4.083,425 2.384,426 1.427,427 1.906,428 3.225,429 1.362,430 2.531,431 1.535,432 3.761,433 2.282,434 1.348,435 1.543,436 2.992,437 1.241,438 2.5,439 1.486,440 3.587,441 2.15,442 1.25,443 1.5,445 2.886,446 1.118,447 2.5,448 1.256,449 3.428,450 2.04,451 1.095,452 1.5,454 2.493,455 1.029,456 2.44,457 1.191,458 3.414,459 2,460 1,461 1.419,463 2.275,464 1,465 19.033,466 0.464,467 0.756,468 0.018,469 51.25,470 1.25,471 22.5,472 0.549,473 28.75,474 0.701,475 39.48,476 0.963,477 45.167,478 0.602,479 43.274,480 1.055,481 10.159,482 0.248,483 10.016,484 0.244,485 0.035,487 0.299,493 0.86,494 1.545,495 0.773,496 1.237,497 0.713,498 1.026,499 1.063,500 1.14,501 0.972,502 0.959,503 0.722,504 0.946,505 0.96,506 1.18,507 0.982,508 0.993,509 0.724,510 0.987,511 0.807,512 0.909,513 0.937,514 0.896,515 0.78,516 0.917,517 0.823,518 1.082,519 0.933,520 0.989,521 0.894,522 0.976,523 0.962,524 1.116,525 1.097,526 1.054,527 0.871,528 1.078,529 0.802,530 1.081,531 1.09,532 1.068,533 0.592,534 1.101,535 0.532,536 0.998,537 1.009,538 1.184,539 0.549,540 1.189,541 6.5,542 0.305,543 3.778,544 1.972,545 1.876,546 1.448,547 1.052,548 0.556,549 0.37,550 0.343,551 30109,552 80602,553 2.177,554 45.3,556 25,558 3,559 2,562 4,564 1.808,565 2.103,566 3.891,567 0.185,573 121.306,574 1.617,575 3.888,576 5.025,577 5.509,578 5.509,579 5.509,580 3.411,581 4.833,582 5.315,583 4.101,584 3362.65,585 9.416,586 59979.9,591 467.161,592 1.128,593 5.316,594 0.141,595 0.006,596 0.06,597 0.03,598 0.029,599 0.022,600 0.016,601 0.009,602 0.007,603 0.007,604 0.327,605 0.33,606 0.63,607 0.997,608 234.12,609 -0.033,610 -0.284,611 0.073,612 -0.125,613 -0.024,614 -0.028,615 -0.002,616 0.01,617 -0.032,618 0.042,619 0.044,620 0.002,621 -0.045,622 -0.123,623 -0.023,624 -0.003,625 0.01,626 -0.011,627 -0.013,628 0.14,629 0.029,630 0.063,631 -0.01,632 0.058,633 0.026,634 -0.033,635 0.017,636 0.018,637 0.061,638 0.018,639 -0.137,640 -0.019,641 -0.156,642 -0.069,643 -0.131,644 -0.106,645 -0.057,646 0.002,647 -0.152,648 -0.08,649 -0.045,650 -0.118,651 0.148,652 0.017,653 -0.077,654 -0.143,655 0.094,656 -0.156,657 2.283,658 4.862,659 0.805,660 65.296,661 1.008,662 1.136,663 2.306,664 5.318,665 0.65,666 3.85,667 4.159,668 4.454,669 4.754,670 5.037,671 5.182,672 5.434,673 5.645,674 5.817,675 6.001,676 9.034,677 0.625,678 558.71,679 3.85,680 5.389,681 6.244,682 7.122,683 7.999,684 8.889,685 9.778,686 10.677,687 11.576,688 12.481,689 10.7,692 1,695 1,696 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,727 1,731 75,733 23,734 1,735 46,737 80,738 29,739 16,740 2,741 4,746 6,747 7,752 1,755 3,758 3,761 17,762 12,766 1,771 1,775 1,781 34,782 11,783 2,784 12,790 8,794 0.833,795 4,796 1,803 1,805 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,848 41,853 1,854 11,855 1,856 2,858 1,859 2,870 5.3,871 1,873 1,874 1,875 1,877 19.5,878 13.183,879 9.083,880 4.589,881 3.911,882 1.433,883 0.977,884 8.799,885 12.948,886 4.078,887 4.637,888 5.222,889 5.837,890 6.405,891 6.788,892 7.303,893 7.779,894 8.143,895 8.57,896 1,897 65,898 15.187,900 6.473,901 7.687,902 29.327,904 24.36,905 2.187,906 89.667,910 376.675,911 138.209,912 93.056,914 89.828,917 138.209,918 466.503,919 93.056,921 47.385,922 99.541,923 140.193,924 60.196,925 9.09,926 341.362,928 376.675,929 231.265,930 89.828,933 331.919,934 83.229,935 53.683,937 81.144,938 80.773,939 67.02,941 376.675,942 182.884,943 138.209,946 376.675,947 54.209,948 92.025,949 18.011,950 156.848,951 376.675,952 182.884,953 138.209,955 0.57,956 0.33,957 0.184,958 0.105,959 30,960 12,961 0.113,962 9,963 1,964 1.061,965 5.148,966 422.556,967 0.061,968 33,969 207.66,974 27.702,975 13.023,976 6.559,977 1.773,978 181.107,979 17.075,980 19.106,984 4.1,985 2.082,986 60.694,987 697.768,988 58,993 11.862,997 -0.616,999 75.61,1000 85.222,1001 0.26,1002 0.624,1003 0.807,1004 0.884,1005 0.884,1006 0.884,1007 5.316,1008 2.069,1009 6.205,1010 6.052,1011 4.844,1012 5.325,1013 2.601,1014 7.004,1015 4.736,1016 6.485,1017 1.734,1018 7.745,1019 5.52,1020 4.29,1021 5.027,1022 1.905,1023 7.867,1024 4.146,1025 7.773,1026 1.514,1027 9.389,1028 4.82,1029 6.415,1030 7.481,1031 3.564,1032 11.005,1033 6.208,1034 9.099,1035 1.427,1036 11.097,1037 4.278,1038 6.735,1039 8.098,1040 3.612,1041 12.759,1042 6.49,1043 10.463,1044 1.348,1045 12.848,1046 3.225,1047 8.275,1048 9.998,1049 4.918,1050 15.404,1051 7.975,1052 11.854,1053 1.25,1054 14.629,1055 2.992,1056 9.014,1057 11.066,1058 5.292,1059 17.536,1060 8.67,1061 13.267,1062 1.095,1063 16.434,1064 2.886,1065 10.312,1066 12.738,1067 6.389,1068 20.027,1069 9.916,1070 3.288,1071 1,1072 18.257,1073 2.493,1074 11.262,1075 14.037,1076 6.931,1077 22.327,1078 10.817,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.461,1084 15.615,1085 7.902,1086 24.772,1087 11.966,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 8.539,1095 27.148,1096 12.971,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.684,1102 18.573,1103 9.436,1104 29.584,1105 14.085,1106 2.534,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 10.13,1113 31.995,1114 15.143,1115 2.353,1116 7.353,1117 27.545,1118 3.368,1119 16.954,1120 21.577,1121 10.981,1122 34.432,1123 16.249,1124 2.123,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 11.71,1131 36.861,1132 17.335,1133 27995,1134 45979,1135 31.898,1136 48.762,1137 68.269,1138 69.925,1139 69.395,1140 68.109,1141 68.157,1142 85.604,1143 10.603,1144 192.043,1145 64.427,1146 5.693,1147 5.652,1148 6.768,1149 5.341,1150 5.288,1151 7.638,1152 3.889,1153 19.165,1154 5.12,1155 13.352,1156 1.484,1157 1.52,1158 1.509,1159 1.481,1160 1.482,1161 1.861,1162 0.23,1163 4.175,1164 1.401,1165 4.143,1166 4.194,1167 4.117,1168 3.985,1169 7.435,1170 4.01,1171 3.915,1172 3.963,1173 3.847,1174 3.813,1175 6.456,1176 3.816,1177 3.89,1178 3.927,1179 3.833,1180 3.782,1181 5.136,1182 3.79,1183 3.776,1184 3.834,1185 3.672,1186 3.615,1187 4.896,1188 3.617,1189 3.69,1190 3.748,1191 3.577,1192 3.482,1193 4.755,1194 3.497,1195 3.586,1196 3.614,1197 3.493,1198 3.313,1199 4.624,1200 3.345,1201 3.333,1202 3.395,1203 3.249,1204 3.099,1205 4.497,1206 3.128,1207 3.232,1208 3.29,1209 3.129,1210 3.023,1211 4.376,1212 3.029,1213 0.102,1214 0.079,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.652,1221 0.048,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.288,1227 4.638,1228 2.186,1229 11.616,1230 3.12,1231 1.956,1232 1.924,1233 2.068,1234 2.107,1235 1.425,1236 2.093,1237 1.891,1238 1.845,1239 2.022,1240 2.044,1241 1.22,1242 2.041,1243 1.81,1244 1.77,1245 1.942,1246 1.962,1247 1.106,1248 1.957,1249 1.761,1250 1.709,1251 1.929,1252 1.938,1253 1.071,1254 1.939,1255 1.583,1256 1.534,1257 1.742,1258 1.805,1259 0.948,1260 1.782,1261 1.475,1262 1.433,1263 1.715,1264 1.749,1265 0.877,1266 1.74,1267 1.305,1268 1.225,1269 1.513,1270 1.598,1271 0.825,1272 1.564,1273 1.172,1274 1.128,1275 1.513,1276 1.465,1277 0.825,1278 1.429,1279 4.533,1281 5.844,1282 2.398,1283 7.354,1284 4.727,1285 8.956,1286 6.862,1287 10.608,1294 8.849,1295 7.343,1296 2.658,1297 10.481,1299 0.245,1300 4.709,1305 46.879,1306 121.306,1307 291.571,1308 376.897,1309 413.161,1310 413.161,1311 413.161,1312 66.076,1313 9.037,1314 130.76,1315 130.76,1316 35,1317 13.002,1318 4.585,1319 3.7,1320 59.327,1321 212,1322 284,1323 0.13,1324 282.726,1325 486.62,1326 681.611,1327 121361,1329 28.02,1330 0.683,1331 0.557,1332 28.02,1333 22.854,1334 20.174,1335 0.439,1336 0.305,1337 13.75,1338 19.129,1339 13.566,1340 11.096,1341 20.174,1342 14.02,1343 17.647,1344 0.28,1345 0.162,1346 17.647,1347 10.227,1348 15.121,1349 0.178,1350 0.088,1351 15.121,1352 7.49,1353 12.938,1354 0.113,1355 0.047,1356 12.938,1357 5.39,1358 10.972,1359 0.072,1360 0.025,1361 10.972,1362 3.886,1363 0.207,1364 128.141,1365 0.177,1366 36.918,1367 0.352,1368 218,1369 657.205,1370 245.086,1371 619.595,1372 851.53,1373 586,1374 257,1375 625.338,1376 285.149,1377 624.952,1378 922.23,1379 589,1380 6.547}
{0 CHEMBL553,1 1.568,2 11.345,3 4.31,4 18.575,5 110.749,6 7.567,7 0.548,8 4.05,9 4.152,10 3.627,11 3.526,12 5.216,13 3.534,14 4.559,15 4.716,16 3.895,17 3.835,18 5.642,19 3.833,20 4.683,21 4.845,22 3.989,23 3.966,24 5.793,25 3.938,26 4.733,27 4.933,28 3.953,29 3.987,30 5.768,31 3.933,32 4.809,33 5.016,34 3.978,35 3.993,36 5.841,37 3.949,38 4.756,39 4.929,40 4.008,41 4.017,42 5.839,43 3.974,44 4.81,45 5.008,46 3.969,47 4.04,48 5.839,49 3.981,50 4.868,51 5.089,52 3.861,53 3.961,54 5.891,55 3.89,56 0.054,57 0.714,58 10.332,59 4.677,60 11.647,61 5.733,62 0.454,63 1.069,64 20.708,65 7.197,66 33.876,67 8.665,68 0.65,69 1.236,70 23.177,71 8.149,72 39.845,73 10.493,74 0.305,75 1.325,76 24.251,77 9.042,78 32.353,79 12.318,80 0.58,81 1.335,82 27.897,83 9.386,84 47.402,85 12.503,86 0.618,87 1.309,88 25.009,89 9.121,90 42.197,91 11.875,92 0.375,93 1.41,94 26.398,95 9.44,96 37.479,97 12.731,98 0.676,99 1.381,100 30.36,101 9.574,102 54.708,103 12.892,104 31,105 40,106 0.261,107 0.608,108 0.734,109 0.816,110 0.822,111 0.828,112 3.408,113 0.881,114 -4.13,115 -4.08,116 -3.86,119 42.3,124 2,125 4,140 1,141 1,142 6,143 2,144 3,146 1,147 1,148 1,172 7,174 1,175 5,178 1,180 3,183 8,186 3,187 5,192 3,195 6,198 1,199 4,202 1,204 3,207 4,211 2,212 4,215 1,217 1,220 5,223 3,224 7,227 1,232 6,236 1,237 6,245 5,249 2,250 6,253 1,258 3,262 2,263 5,266 1,271 1,275 1486,276 20.231,277 20.231,278 20.231,279 20.231,280 20.231,281 18.156,282 25.355,283 12.658,284 21.081,285 15.244,286 15.244,287 15.244,288 15.244,289 15.244,290 11.96,291 33.398,292 5.909,293 16.407,294 4.133,295 2.047,296 1.289,297 0.798,298 0.76,299 0.721,300 4.097,304 1,305 1,306 682,307 3.674,311 246.825,315 132.191,318 1.874,319 25.957,322 1,323 0.83,324 0.83,325 0.8,326 0.5,327 1,328 1,329 0.85,330 63.5,331 329,332 4.576,333 3.304,334 6.586,335 4.1,336 3.136,337 4.513,338 0.86,339 10.539,340 3.024,341 4.143,342 3.021,343 6.058,344 3.703,345 2.742,346 3.734,347 0.86,348 8.765,349 2.658,350 3.986,351 2.877,352 5.609,353 3.548,354 2.592,355 3.488,356 0.86,357 7.719,358 2.446,359 3.608,360 2.47,361 5.22,362 3.101,363 2.143,364 2.885,365 0.86,366 6.393,367 2.053,368 3.385,369 2.413,370 4.889,371 2.865,372 1.923,373 2.648,374 0.4,375 5.548,376 1.814,377 3.041,378 2.207,379 4.525,380 2.663,381 1.762,382 2.233,384 4.576,385 1.568,386 2.914,387 2.059,388 3.977,389 2.505,390 1.618,391 1.891,393 3.444,394 1.426,395 2.818,396 1.888,397 3.619,398 2.411,399 1.492,400 1.789,402 3.079,403 1.361,404 2.628,405 1.506,406 3.536,407 2.221,408 1.285,409 1.631,411 2.753,412 1.213,413 2.615,414 1.335,415 3.495,416 2.144,417 1.202,418 1.513,420 2.621,421 1.113,422 2.511,423 1.278,424 3.163,425 1.633,426 0.757,427 0.885,428 1.559,429 0.658,430 1.926,431 1.081,432 2.853,433 1.539,434 0.705,435 0.853,436 1.184,437 0.584,438 1.758,439 0.574,440 2.832,441 1.43,442 0.431,443 0.731,445 0.629,446 0.43,447 1.433,448 0.527,449 2.673,450 1.114,451 0.201,452 0.233,454 0.434,455 0.182,456 1.182,457 0.247,458 2.599,459 0.824,460 -0.088,461 -0.107,463 -0.191,464 -0.08,465 13.533,466 0.467,467 0.427,468 0.015,469 38.5,470 1.328,471 19.5,472 0.672,473 19,474 0.655,475 21.738,476 0.75,477 31.467,478 0.605,479 30.457,480 1.05,481 8.161,482 0.281,483 6.084,484 0.21,485 0.111,487 0.259,493 0.923,494 1.4,495 0.769,496 1.227,497 0.863,498 1.008,499 1.614,500 0.873,501 1.004,502 0.778,503 1.214,504 0.78,505 1.081,506 1.08,507 0.991,508 0.912,509 0.945,510 0.93,511 0.759,512 1.194,513 0.883,514 1.117,515 0.815,516 1.036,517 1.124,518 0.903,519 0.918,520 0.847,521 0.994,522 0.843,523 0.964,524 1.081,525 0.995,526 1.025,527 0.938,528 1.021,529 0.957,530 1.159,531 1.039,532 1.121,533 0.893,534 1.088,535 1.258,536 0.925,537 1.137,538 0.942,539 1.129,540 0.997,541 4.5,542 0.128,543 2.222,544 1.438,545 1.56,546 0.792,547 0.586,548 0.46,549 0.303,550 0.208,551 9971,552 28979,553 2.053,554 44.2,556 20,557 1,558 1,559 1,564 1.725,565 1.955,566 3.483,567 -0.336,569 1,573 81.519,574 1.568,575 3.653,576 4.412,577 4.902,578 4.941,579 4.979,580 2.957,581 4.858,582 4.82,583 3.63,584 1473.82,585 8.434,586 20207.6,588 1,590 1,591 296.423,592 1.233,593 4.804,594 0.145,595 0.006,596 0.056,597 0.033,598 0.038,599 0.019,600 0.014,601 0.011,602 0.009,603 0.007,604 0.338,605 0.33,606 1,607 1.643,608 147.354,609 -0.043,610 -0.249,611 0.065,612 -0.167,613 -0.038,614 -0.05,615 -0.245,616 0.169,617 -0.022,618 0.2,619 -0.18,620 0.137,621 0.081,622 -0.023,623 -0.039,624 0.074,625 0.011,626 0.006,627 0.037,628 -0.145,629 0.045,630 -0.125,631 0.031,632 -0.055,633 -0.023,634 0.095,635 0.075,636 0.121,637 -0.007,638 0.116,639 0.115,640 -0.045,641 -0.046,642 -0.03,643 0.02,644 -0.066,645 -0.071,646 -0.104,647 -0.1,648 -0.144,649 -0.036,650 -0.126,651 -0.098,652 0.065,653 -0.119,654 -0.004,655 -0.084,656 -0.054,657 1.108,658 2.357,659 0.552,660 32.749,661 1.009,662 1.125,663 2.902,664 8.423,665 0.662,666 3.466,667 3.714,668 3.97,669 4.234,670 4.511,671 4.625,672 4.771,673 4.905,674 5.017,675 5.017,676 6.746,677 0.638,678 393.48,679 3.466,680 4.963,681 5.79,682 6.645,683 7.502,684 8.374,685 9.245,686 10.126,687 11.004,688 11.891,689 5.8,697 1,699 2,703 2,704 7,705 2,709 5,711 17,724 1,729 2,731 52,733 18,734 2,735 31,737 54,738 22,739 14,740 6,741 6,746 3,747 4,760 2,761 14,762 6,778 1,781 23,782 7,783 1,784 7,790 3,794 0.667,795 4,806 1,812 3,816 1,819 1,821 1,839 2,840 2,844 2,848 29,854 4,855 1,856 4,861 1,862 1,868 1,870 7.7,874 2,875 2,877 14.833,878 9.983,879 6.833,880 2.831,881 3.591,882 1.479,883 0.947,884 7.655,885 11.095,886 3.75,887 4.29,888 4.907,889 5.513,890 6.139,891 6.469,892 6.901,893 7.309,894 7.738,895 7.937,896 0.875,897 43,898 10.624,900 4.252,901 7.73,902 20.11,904 15.342,905 2.23,906 64.667,908 1,909 1,910 258.964,911 169.438,912 51.582,914 44,917 169.438,918 302.964,919 51.582,920 21.766,921 18.37,922 56.857,923 67.342,924 69.775,925 54.451,926 235.422,928 258.964,929 221.02,930 44,933 258.964,934 22,935 22,937 47.143,938 123.275,939 50.602,941 258.964,942 95.581,943 169.438,946 258.964,947 41.844,948 87.242,949 35.041,950 100.892,951 258.964,952 95.581,953 169.438,955 0.546,956 0.316,957 0.175,958 0.103,959 16,960 7,961 0.185,962 10,963 1,964 1.125,965 4.043,966 244.412,967 0.125,968 16,969 138.881,974 20.879,975 10.632,976 5.582,977 1.521,978 95.581,979 12.758,980 8.754,984 3.434,986 18.011,987 523.983,988 41.5,999 52.451,1000 58.485,1001 0.275,1002 0.641,1003 0.774,1004 0.86,1005 0.867,1006 0.873,1007 4.951,1008 1.492,1009 5.727,1010 3.444,1011 4.394,1012 4.977,1013 1.979,1014 6.491,1015 4.274,1016 6.134,1017 1.285,1018 7.245,1019 3.079,1020 3.761,1021 4.691,1023 7.298,1024 3.644,1025 7.424,1026 1.202,1027 8.869,1028 2.753,1029 5.922,1030 7.199,1031 1.691,1032 10.42,1033 5.723,1034 8.754,1035 0.757,1036 10.558,1037 2.621,1038 6.176,1039 7.819,1041 12.095,1042 5.979,1043 10.121,1044 0.705,1045 12.291,1046 1.559,1047 7.736,1048 9.747,1049 1.446,1050 14.709,1051 7.478,1052 11.514,1053 0.431,1054 14.053,1055 1.184,1056 8.432,1057 10.803,1059 16.752,1060 8.162,1061 12.928,1062 0.201,1063 15.837,1064 0.629,1065 9.732,1066 12.484,1067 1.222,1068 19.187,1069 9.415,1070 3.136,1071 -0.088,1072 17.637,1073 0.434,1074 10.649,1075 13.76,1077 21.394,1078 10.308,1079 2.742,1080 10.539,1081 19.449,1082 -0.191,1083 11.838,1084 15.333,1085 1.019,1086 23.766,1087 11.458,1088 2.592,1089 8.765,1090 21.27,1091 4.513,1092 12.863,1093 16.721,1095 26.047,1096 12.452,1097 2.143,1098 7.719,1099 23.1,1100 3.734,1101 14.007,1102 18.248,1103 0.837,1104 28.399,1105 13.561,1106 1.923,1107 6.393,1108 24.937,1109 3.488,1110 15.084,1111 19.693,1113 30.715,1114 14.604,1115 1.762,1116 5.548,1117 26.779,1118 2.885,1119 16.214,1120 21.202,1121 0.677,1122 33.061,1123 15.699,1124 1.618,1125 4.576,1126 28.626,1127 2.648,1128 17.317,1129 22.675,1131 35.394,1132 16.767,1133 9964,1134 17099,1135 20.86,1136 34.449,1137 45.202,1138 45.105,1139 45.844,1140 43.943,1141 43.976,1142 58.054,1143 7.68,1144 118.489,1145 41.063,1146 5.452,1147 5.304,1148 6.497,1149 5.178,1150 5.136,1151 7.513,1152 1.72,1153 17.476,1154 5.024,1155 12.953,1156 1.458,1157 1.455,1158 1.479,1159 1.418,1160 1.419,1161 1.873,1162 0.248,1163 3.822,1164 1.325,1165 4.079,1166 4.107,1167 4.053,1168 3.979,1169 5.448,1170 3.993,1171 3.896,1172 3.921,1173 3.845,1174 3.843,1175 5.1,1176 3.84,1177 3.614,1178 3.652,1179 3.52,1180 3.37,1181 4.78,1182 3.399,1183 3.555,1184 3.597,1185 3.404,1186 3.297,1187 4.671,1188 3.312,1189 3.386,1190 3.432,1191 3.282,1192 3.202,1193 4.66,1194 3.208,1195 3.244,1196 3.285,1197 3.173,1198 3.135,1199 4.566,1200 3.144,1201 3.135,1202 3.21,1203 2.99,1204 2.903,1205 4.327,1206 2.915,1207 3.071,1208 3.163,1209 2.875,1210 2.825,1211 4.091,1212 2.816,1213 0.148,1214 0.107,1215 0.212,1216 0.132,1217 0.101,1218 4.576,1219 0.146,1220 3.304,1221 0.028,1222 6.586,1223 0.34,1224 4.1,1225 0.098,1226 3.136,1227 4.513,1228 0.86,1229 10.539,1230 3.024,1231 2.008,1232 1.986,1233 2.063,1234 2.127,1235 1.189,1236 2.108,1237 1.892,1238 1.87,1239 1.986,1240 1.969,1241 1.065,1242 1.977,1243 1.514,1244 1.471,1245 1.763,1246 1.79,1247 0.979,1248 1.778,1249 1.482,1250 1.432,1251 1.763,1252 1.772,1253 0.971,1254 1.767,1255 1.31,1256 1.265,1257 1.527,1258 1.553,1259 0.561,1260 1.536,1261 1.233,1262 1.195,1263 1.509,1264 1.416,1265 0.557,1266 1.446,1267 1.105,1268 1.021,1269 1.416,1270 1.371,1271 0.418,1272 1.395,1273 1.075,1274 0.978,1275 1.367,1276 1.327,1277 0.225,1278 1.351,1279 4.143,1281 5.407,1283 6.882,1285 8.468,1287 10.116,1289 3.25,1295 1.726,1296 3.3,1297 21.802,1302 5.494,1304 2.629,1305 33.191,1306 81.519,1307 189.959,1308 229.403,1309 254.913,1310 256.913,1311 258.913,1312 45.889,1313 7.504,1314 74.73,1315 74.73,1316 18,1317 12.425,1318 4.248,1319 3.524,1320 52.144,1321 114,1322 130,1323 0.222,1324 206.716,1325 361.14,1326 496.146,1327 18053,1329 20.476,1330 0.706,1331 0.568,1332 20.476,1333 16.475,1334 14.245,1335 0.46,1336 0.294,1337 8.897,1338 13.453,1339 8.657,1340 7.212,1341 14.245,1342 9.108,1343 11.641,1344 0.291,1345 0.152,1346 11.641,1347 6.071,1348 9.67,1349 0.186,1350 0.079,1351 9.67,1352 4.083,1353 7.984,1354 0.117,1355 0.039,1356 7.984,1357 2.683,1358 6.697,1359 0.074,1360 0.02,1361 6.697,1362 1.816,1363 0.345,1364 91.017,1365 0.219,1366 27.527,1367 0.619,1368 142,1369 484.565,1370 159.12,1371 452.573,1372 611.63,1373 428,1374 163,1375 431.547,1376 180.455,1377 439.29,1378 635.11,1379 408,1380 5}
{0 CHEMBL554,1 1.816,2 17.4,3 6.255,4 39.126,5 152.448,6 8.805,7 0.636,8 4.306,9 4.395,10 4.109,11 3.908,12 5.446,13 3.881,14 4.829,15 4.958,16 4.397,17 4.268,18 6.123,19 4.239,20 5.076,21 5.243,22 4.42,23 4.346,24 6.269,25 4.299,26 5.076,27 5.278,28 4.34,29 4.305,30 6.187,31 4.234,32 5.025,33 5.23,34 4.277,35 4.306,36 6.114,37 4.221,38 4.952,39 5.129,40 4.381,41 4.311,42 6.078,43 4.24,44 4.986,45 5.172,46 4.433,47 4.32,48 6.18,49 4.243,50 4.938,51 5.12,52 4.341,53 4.213,54 6.171,55 4.146,56 0.16,57 1.011,58 12.31,59 6.42,60 21.401,61 6.763,62 0.486,63 1.617,64 26.002,65 10.989,66 63.858,67 11.764,68 0.911,69 1.929,70 36.244,71 13.271,72 105.739,73 14.463,74 0.861,75 1.894,76 37.427,77 13.509,78 86.989,79 16.077,80 0.9,81 1.805,82 40.185,83 13.57,84 93.378,85 16.058,86 0.663,87 1.655,88 29.907,89 12.198,90 64.253,91 14.715,92 0.713,93 1.742,94 34.463,95 12.827,96 64.704,97 15.491,98 0.726,99 1.618,100 35.717,101 12.338,102 78.312,103 14.109,104 31,105 62,106 0.283,107 0.622,108 0.804,109 0.906,110 0.906,111 0.906,112 3.717,113 1.011,114 -5.1,115 -5,116 -4.68,119 43.9,124 1,125 4,142 12,143 3,144 4,146 1,147 1,148 1,152 2,172 10,174 2,175 8,178 1,180 3,183 11,187 10,190 1,192 3,195 9,199 8,202 3,204 4,207 8,212 3,215 1,217 2,220 10,223 2,224 5,227 1,229 3,232 13,236 3,237 6,242 4,245 9,250 6,255 2,258 8,262 1,263 6,266 2,267 1,268 1,271 5,275 3850,276 26.703,277 26.703,278 26.703,279 26.703,280 26.703,281 22.984,282 28.108,283 15.708,284 27.495,285 21.775,286 21.775,287 21.775,288 21.775,289 21.775,290 16.106,291 40.3,292 7.533,293 23.138,294 4.229,295 2.048,296 0.875,297 0.224,298 0.224,299 0.224,300 4.421,301 1,305 1,306 1499,307 4.301,310 115.698,311 520.673,315 201.137,318 3.11,319 50.596,322 0.75,323 0.67,324 0.67,325 0.5,326 0.5,327 0.67,328 0.5,329 0.61,330 87.833,331 696,332 4.622,333 5.046,334 6.557,335 4.091,336 3.113,337 4.484,338 2.95,339 10.419,340 3.053,341 4.553,342 3.295,343 6.394,344 3.952,345 3.098,346 4.423,347 1.151,348 9.951,349 2.799,350 4.254,351 3.144,352 6.141,353 3.843,354 2.887,355 3.899,356 0.657,357 9.089,358 2.635,359 4.203,360 2.997,361 6.071,362 3.77,363 2.813,364 3.853,365 0.4,366 8.773,367 2.608,368 4.037,369 2.926,370 5.503,371 3.614,372 2.641,373 3.645,375 7.439,376 2.56,377 3.688,378 2.624,379 5.406,380 3.324,381 2.358,382 3.091,384 7.038,385 2.285,386 3.574,387 2.541,388 5.292,389 3.199,390 2.241,391 2.932,393 6.74,394 2.112,395 3.348,396 2.408,397 5.006,398 2.929,399 1.991,400 2.683,402 5.733,403 1.853,404 3.281,405 2.239,406 4.748,407 2.839,408 1.885,409 2.54,411 5.298,412 1.788,413 2.987,414 2.071,415 4.32,416 2.536,417 1.588,418 2.201,420 4.068,421 1.504,422 2.848,423 1.963,424 4.186,425 2.363,426 1.472,427 1.979,428 3.785,429 1.329,430 2.764,431 1.679,432 4.053,433 2.358,434 1.427,435 1.859,436 3.38,437 1.24,438 2.671,439 1.456,440 3.628,441 2.192,442 1.206,443 1.75,445 2.904,446 1.182,447 2.471,448 1.349,449 3.49,450 2.176,451 1.199,452 1.461,454 2.627,455 1.168,456 2.367,457 1.237,458 3.426,459 1.902,460 0.942,461 1.314,463 2.268,464 0.902,465 19.267,466 0.482,467 1.113,468 0.028,469 56,470 1.4,471 30,472 0.75,473 26,474 0.65,475 33.504,476 0.838,477 42.533,478 0.644,479 46.672,480 1.167,481 11.054,482 0.276,483 8.177,484 0.204,485 0.112,486 0.043,487 0.285,491 1,493 0.647,494 1.128,495 0.688,496 1.073,497 0.623,498 0.875,499 0.858,500 1.063,501 0.966,502 1.127,503 0.602,504 0.949,505 1.253,506 1.062,507 1.009,508 0.989,509 1.243,510 1.028,511 0.982,512 0.95,513 0.884,514 0.885,515 0.783,516 0.97,517 0.95,518 0.822,519 1.089,520 0.878,521 0.811,522 0.926,523 0.713,524 0.876,525 0.769,526 0.874,527 0.661,528 0.953,529 0.708,530 0.976,531 0.962,532 0.935,533 0.532,534 0.95,535 1.046,536 1.077,537 1.104,538 1.056,539 0.899,540 1.046,541 9.5,542 0.247,543 4,544 2.035,545 2.117,546 1.153,547 0.772,548 0.813,549 0.45,550 0.353,551 30303,552 99733,553 2.086,554 39.4,556 23,558 1,559 2,564 1.796,565 1.959,566 4.033,567 0.174,573 119.837,574 1.816,575 3.996,576 5.169,577 5.821,578 5.821,579 5.821,580 3.504,581 4.934,582 5.283,583 4.275,584 3334.52,585 9.312,586 61875.3,591 398.93,592 1.479,593 5.251,594 0.216,595 0.006,596 0.065,597 0.034,598 0.039,599 0.022,600 0.014,601 0.014,602 0.009,603 0.009,604 0.428,605 0.17,606 0.63,607 1.173,608 231.191,609 -0.002,610 -0.083,611 0.11,612 -0.042,613 -0.104,614 0.023,615 -0.003,616 -0.054,617 -0.09,618 -0.114,619 0.145,620 -0.033,621 -0.163,622 -0.09,623 -0.129,624 -0.067,625 -0.176,626 -0.099,627 -0.052,628 -0.031,629 -0.005,630 0.017,631 -0.037,632 0.001,633 -0.045,634 0.137,635 -0.085,636 0.081,637 -0.061,638 0.073,639 0.049,640 -0.014,641 0.078,642 0.042,643 -0.026,644 0.021,645 0.093,646 -0.067,647 0.064,648 0.02,649 0.098,650 0.036,651 -0.04,652 -0.117,653 -0.02,654 -0.1,655 0.012,656 -0.064,657 3.936,658 5.431,659 0.675,660 67.613,661 1.019,662 1.121,663 3.87,664 14.981,665 0.703,666 3.807,667 4.143,668 4.344,669 4.595,670 4.82,671 4.92,672 5.075,673 5.257,674 5.429,675 5.533,676 10.081,677 0.677,678 581.11,679 3.807,680 5.361,681 6.192,682 7.069,683 7.916,684 8.795,685 9.651,686 10.531,687 11.394,688 12.276,689 6.1,691 1,697 1,699 2,703 2,704 13,705 2,707 1,709 9,711 28,724 1,729 1,730 2,731 66,733 30,734 3,735 44,737 70,738 29,739 24,740 8,741 10,746 5,747 6,748 1,761 24,762 5,766 2,769 1,771 2,779 1,780 1,781 26,782 9,783 2,784 11,785 2,790 4,794 0.8,795 4,806 1,811 1,812 4,816 1,835 1,840 4,842 1,844 1,845 1,846 1,848 40,851 1,854 4,855 2,856 1,869 2,870 6.1,873 2,875 2,877 20.417,878 12.102,879 8.569,880 3.666,881 5.393,882 1.607,883 1.012,884 8.671,885 14.284,886 4.111,887 4.769,888 5.28,889 5.87,890 6.415,891 6.737,892 7.187,893 7.696,894 8.193,895 8.511,896 0.917,897 59,898 14.909,900 6.547,901 7.934,902 27.822,904 22.939,905 2.434,906 97.361,910 282.506,911 190.209,912 69.593,913 39.149,914 64.82,915 14.96,916 6.046,917 184.163,918 386.475,919 84.553,920 7.19,921 9.703,922 137.772,923 89.655,924 78.847,925 28.186,926 270.735,927 39.149,928 282.506,929 253.756,930 79.78,931 45.195,933 297.467,934 64.82,937 56.488,938 163.697,939 78.766,941 297.467,942 134.413,943 229.358,945 6.046,946 282.506,947 54.639,948 129.524,949 36.022,950 152.5,951 282.506,952 149.373,953 229.358,955 0.587,956 0.317,957 0.165,958 0.089,959 29,960 13,961 0.157,962 11,963 1,964 1.074,965 5.12,966 384.556,967 0.074,968 27,969 210.877,973 1,974 28.063,975 12.359,976 7.595,977 1.531,978 149.373,979 22.46,980 8.797,982 5.974,984 4.748,986 36.022,987 661.237,988 60,991 -3.019,993 22.593,999 67.232,1000 74.017,1001 0.3,1002 0.661,1003 0.855,1004 0.963,1005 0.963,1006 0.963,1007 5.347,1008 1.991,1009 6.196,1010 6.74,1011 4.828,1012 5.457,1013 3.102,1014 6.991,1015 4.715,1016 6.587,1017 1.885,1018 7.747,1019 5.733,1020 4.511,1021 5.46,1023 7.978,1024 4.281,1025 7.923,1026 1.588,1027 9.397,1028 5.298,1029 6.45,1030 7.761,1031 5.052,1032 10.949,1033 6.229,1034 9.296,1035 1.472,1036 11.105,1037 4.068,1038 6.909,1039 8.551,1041 12.71,1042 6.57,1043 10.699,1044 1.427,1045 12.85,1046 3.785,1047 8.347,1048 10.36,1049 7.188,1050 15.235,1051 8.009,1052 12.124,1053 1.206,1054 14.619,1055 3.38,1056 9.151,1057 11.502,1059 17.304,1060 8.711,1061 13.564,1062 1.199,1063 16.405,1064 2.904,1065 10.391,1066 13.117,1067 9.348,1068 19.683,1069 9.937,1070 3.113,1071 0.942,1072 18.204,1073 2.627,1074 11.357,1075 14.429,1077 21.884,1078 10.819,1079 3.098,1080 10.419,1081 20.013,1082 2.268,1083 12.516,1084 15.962,1085 11.511,1086 24.214,1087 11.952,1088 2.887,1089 9.951,1090 21.83,1091 4.484,1092 13.558,1093 17.357,1095 26.473,1096 12.927,1097 2.813,1098 9.089,1099 23.653,1100 4.423,1101 14.686,1102 18.857,1103 13.675,1104 28.789,1105 14.023,1106 2.641,1107 8.773,1108 25.482,1109 3.899,1110 15.764,1111 20.294,1113 31.077,1114 15.048,1115 2.358,1116 7.439,1117 27.315,1118 3.853,1119 16.881,1120 21.781,1121 15.838,1122 33.39,1123 16.131,1124 2.241,1125 7.038,1126 29.152,1127 3.645,1128 17.978,1129 23.241,1131 35.693,1132 17.184,1133 28660,1134 52166,1135 29.413,1136 46.421,1137 65.729,1138 68.668,1139 66.391,1140 65.963,1141 65.621,1142 89.227,1143 10.316,1144 188.384,1145 61.69,1146 5.518,1147 7.046,1148 6.203,1149 5.17,1150 5.113,1151 7.484,1152 5.9,1153 17.268,1154 5.053,1155 20.781,1156 1.494,1157 1.561,1158 1.509,1159 1.499,1160 1.491,1161 2.028,1162 0.234,1163 4.281,1164 1.402,1165 4.112,1166 4.135,1167 4.721,1168 4.031,1169 8.201,1170 4.029,1171 3.993,1172 3.968,1173 4.089,1174 3.989,1175 7.715,1176 3.869,1177 3.944,1178 3.959,1179 3.992,1180 3.865,1181 6.999,1182 3.845,1183 3.883,1184 3.898,1185 3.852,1186 3.804,1187 5.124,1188 3.802,1189 3.834,1190 3.848,1191 3.82,1192 3.708,1193 5.008,1194 3.723,1195 3.442,1196 3.508,1197 3.396,1198 3.258,1199 4.963,1200 3.269,1201 3.329,1202 3.389,1203 3.306,1204 3.129,1205 4.661,1206 3.128,1207 3.237,1208 3.284,1209 3.21,1210 3.041,1211 4.422,1212 3.052,1213 0.105,1214 0.115,1215 0.149,1216 0.093,1217 0.071,1218 4.622,1219 0.102,1220 5.046,1221 0.067,1222 6.557,1223 0.237,1224 4.091,1225 0.069,1226 3.113,1227 4.484,1228 2.95,1229 10.419,1230 3.053,1231 2.024,1232 2,1233 2.082,1234 2.128,1235 1.278,1236 2.115,1237 1.907,1238 1.886,1239 2.012,1240 2.007,1241 1.209,1242 2.021,1243 1.845,1244 1.86,1245 1.925,1246 1.952,1247 1.131,1248 2.009,1249 1.831,1250 1.825,1251 1.863,1252 1.928,1253 1.043,1254 1.934,1255 1.58,1256 1.543,1257 1.689,1258 1.758,1259 0.935,1260 1.774,1261 1.475,1262 1.448,1263 1.578,1264 1.652,1265 0.706,1266 1.634,1267 1.254,1268 1.192,1269 1.498,1270 1.466,1271 0.619,1272 1.491,1273 1.189,1274 1.141,1275 1.436,1276 1.436,1277 0.589,1278 1.43,1279 4.489,1281 5.82,1282 2.398,1283 7.324,1284 4.595,1285 8.909,1286 6.581,1287 10.538,1289 1.21,1290 6.467,1291 13.431,1295 1.023,1296 6.374,1297 5.772,1305 44.664,1306 119.837,1307 263.751,1308 341.156,1309 384.175,1310 384.175,1311 384.175,1312 86.039,1313 8.891,1314 106.35,1315 114.73,1316 29,1317 12.815,1318 4.954,1319 4.087,1320 64.222,1321 236,1322 246,1323 0.127,1324 277.749,1325 478.59,1326 669.468,1327 119639,1328 3,1329 28.114,1330 0.703,1331 0.577,1332 27.994,1333 23.098,1334 19.231,1335 0.437,1336 0.337,1337 12.42,1338 17.419,1339 11.923,1340 9.834,1341 20.053,1342 14.834,1343 18.301,1344 0.295,1345 0.192,1346 19.443,1347 11.883,1348 13.964,1349 0.184,1350 0.095,1351 14.461,1352 7.249,1353 11.62,1354 0.119,1355 0.049,1356 11.935,1357 4.777,1358 9.263,1359 0.075,1360 0.025,1361 9.52,1362 3.131,1363 0.208,1364 133.238,1365 0.184,1366 36.86,1367 0.328,1368 212,1369 728.073,1370 279.714,1371 723.579,1372 959.49,1373 670,1374 244,1375 651.272,1376 313.061,1377 690.535,1378 995.65,1379 645,1380 5}
{0 CHEMBL556947,1 1.596,2 19.75,3 2.795,4 7.814,5 181.957,6 7.276,7 0.407,8 4.614,9 4.745,10 4.17,11 4.064,12 5.651,13 4.064,14 5.203,15 5.399,16 4.54,17 4.481,18 6.221,19 4.458,20 5.453,21 5.677,22 4.608,23 4.672,24 6.391,25 4.611,26 5.558,27 5.802,28 4.583,29 4.702,30 6.526,31 4.62,32 5.521,33 5.765,34 4.554,35 4.679,36 6.485,37 4.596,38 5.454,39 5.694,40 4.531,41 4.637,42 6.393,43 4.558,44 5.396,45 5.628,46 4.516,47 4.61,48 6.363,49 4.535,50 5.414,51 5.64,52 4.485,53 4.635,54 6.401,55 4.535,56 0.086,57 1.431,58 19.654,59 7.357,60 11.532,61 10.534,62 0.862,63 2.286,64 39.975,65 11.794,66 56.337,67 17.803,68 0.707,69 2.791,70 52.162,71 15.817,72 55.573,73 24.26,74 0.922,75 2.895,76 59.969,77 18.17,78 92.649,79 27.427,80 0.842,81 2.78,82 57.822,83 17.89,84 96.144,85 27.01,86 0.796,87 2.708,88 53.192,89 16.14,90 69.776,91 24.873,92 0.864,93 2.588,94 49.65,95 15.205,96 67.184,97 23.429,98 0.732,99 2.57,100 49.959,101 18.002,102 75.961,103 26.038,104 19,105 76,106 0.236,107 0.546,108 0.715,109 0.793,110 0.812,111 0.816,112 3.895,113 0.921,114 -4.07,115 -4.02,116 -3.8,119 37.8,121 2,124 2,125 10,127 1,142 8,143 2,144 3,145 1,147 1,149 1,159 2,161 1,166 1,172 6,174 6,175 13,178 2,179 1,180 4,183 7,186 3,187 8,192 4,195 4,198 6,199 16,204 5,207 3,211 2,212 12,215 1,217 4,220 2,223 3,224 14,227 2,229 1,232 8,236 6,237 3,240 1,245 12,249 6,250 5,253 5,255 1,258 10,263 8,266 1,271 2,275 6122,276 33.057,277 33.057,278 33.057,279 33.057,280 33.057,281 30.339,282 48.995,283 19.366,284 34.118,285 26.61,286 26.61,287 26.61,288 26.61,289 26.61,290 22.241,291 69.354,292 9.157,293 28.183,294 4.896,295 2.796,296 1.656,297 1.122,298 0.995,299 0.972,300 4.615,306 2109,307 4,310 130.241,311 1006,314 230.791,318 2.823,319 44.479,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 105,331 948,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.189,342 3.562,343 6.331,344 3.844,345 2.893,346 3.797,347 1.656,348 9.601,349 2.767,350 4.15,351 3.377,352 6.148,353 3.833,354 2.886,355 3.701,356 0.86,357 9.075,358 2.739,359 4.015,360 3.136,361 6.107,362 3.749,363 2.785,364 3.37,365 0.8,366 8.931,367 2.664,368 3.911,369 3.028,370 6.011,371 3.632,372 2.706,373 3.175,374 0.8,375 8.496,376 2.497,377 3.857,378 2.823,379 5.569,380 3.568,381 2.612,382 3.091,383 0.8,384 7.617,385 2.482,386 3.685,387 2.662,388 5.555,389 3.362,390 2.409,391 2.988,392 0.655,393 7.102,394 2.295,395 3.422,396 2.552,397 5.319,398 3.22,399 2.272,400 2.577,401 0.247,402 6.902,403 2.148,404 3.395,405 2.461,406 5.039,407 3.176,408 2.233,409 2.497,410 0.13,411 6.081,412 2.095,413 3.269,414 2.377,415 4.789,416 2.886,417 1.898,418 2.359,420 5.107,421 1.859,422 2.996,423 2.301,424 4.679,425 2.721,426 1.794,427 2.152,428 4.93,429 1.656,430 2.952,431 2.075,432 4.412,433 2.442,434 1.495,435 2.047,436 4.264,437 1.413,438 2.701,439 1.631,440 4.268,441 2.394,442 1.474,443 1.723,445 3.904,446 1.339,447 2.611,448 1.535,449 4.24,450 2.348,451 1.39,452 1.622,454 3.712,455 1.324,456 2.5,457 1.528,458 3.96,459 2.108,460 1.219,461 1.5,463 2.975,464 1.075,465 22.333,466 0.465,467 1.071,468 0.022,469 59.25,470 1.234,471 25,472 0.521,473 34.25,474 0.714,475 49.105,476 1.023,477 53.267,478 0.592,479 53.924,480 1.123,481 11.715,482 0.244,483 11.73,484 0.244,485 0.075,487 0.336,493 0.822,494 1.655,495 0.785,496 1.289,497 0.571,498 1.063,499 1,500 1.084,501 0.929,502 0.88,503 0.56,504 0.882,505 0.985,506 1.164,507 1.006,508 1.033,509 0.766,510 1.013,511 1.036,512 0.995,513 1.021,514 0.989,515 1.162,516 0.998,517 1.007,518 1.026,519 0.965,520 0.964,521 1.211,522 0.959,523 0.894,524 1.08,525 0.999,526 1.009,527 0.907,528 1.011,529 0.795,530 1.011,531 1.008,532 0.99,533 0.611,534 1.013,535 0.597,536 1.015,537 0.996,538 1.212,539 0.654,540 1.181,541 9,542 0.434,543 5.778,544 2.535,545 2.169,546 2.066,547 1.396,548 0.604,549 0.498,550 0.515,551 50883,552 123333,553 2.161,554 46.7,556 35,558 1,559 2,562 4,564 1.84,565 2.057,566 4.167,567 0.148,573 143.596,574 1.596,575 3.696,576 4.836,577 5.369,578 5.497,579 5.52,580 3.697,581 5.168,582 5.549,583 4.398,584 4961.41,585 9.848,586 103416,591 584.267,592 1.281,593 5.532,594 0.167,595 0.008,596 0.076,597 0.032,598 0.029,599 0.028,600 0.019,601 0.008,602 0.007,603 0.009,604 0.382,605 0.33,606 0.63,607 0.648,608 290.729,609 -0.012,610 -0.358,611 0.087,612 -0.164,613 0.005,614 -0.045,615 0.073,616 0.082,617 0.033,618 0.112,619 0.123,620 0.07,621 -0.096,622 -0.066,623 -0.051,624 -0.031,625 -0.009,626 -0.031,627 -0.077,628 0.028,629 -0.041,630 -0.003,631 -0.07,632 -0.015,633 -0.072,634 -0.02,635 0.012,636 0.04,637 -0.098,638 0.039,639 -0.036,640 -0.02,641 -0.036,642 -0.016,643 -0.068,644 -0.024,645 0.046,646 0.08,647 -0.054,648 0.007,649 0.032,650 -0.029,651 0.165,652 0.039,653 -0.061,654 -0.155,655 0.116,656 -0.151,657 1.982,658 5.842,659 0.813,660 81.465,661 1.005,662 1.138,663 2.838,664 8.052,665 0.645,666 4.007,667 4.344,668 4.644,669 4.92,670 5.198,671 5.352,672 5.58,673 5.753,674 5.914,675 6.096,676 10.973,677 0.617,678 654.86,679 4.007,680 5.565,681 6.428,682 7.311,683 8.191,684 9.081,685 9.97,686 10.866,687 11.761,688 12.661,689 11.1,692 1,695 2,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 2,731 90,733 24,734 2,735 54,737 96,738 34,739 17,740 4,741 8,746 7,747 8,751 1,755 3,758 3,761 19,762 15,766 2,771 2,775 2,781 42,782 13,783 2,784 14,790 10,794 0.857,795 4,803 1,806 1,811 1,812 6,815 1,836 1,837 1,839 1,840 6,844 2,848 48,854 12,855 2,856 2,858 1,859 4,870 4.4,873 2,874 1,875 1,877 23.333,878 16.6,879 10.472,880 5.497,881 4.318,882 1.447,883 0.995,884 10.07,885 13.971,886 4.22,887 4.781,888 5.351,889 5.939,890 6.501,891 6.9,892 7.404,893 7.858,894 8.212,895 8.643,896 1,897 80,898 17.829,900 7.65,901 7.646,902 34.546,904 28.881,905 2.146,906 103,910 470.844,911 166.675,912 100.529,914 72.29,917 166.675,918 543.134,919 100.529,920 19.279,921 70.245,922 75.81,923 125.01,924 47.554,925 13.366,926 459.073,928 470.844,929 267.204,930 72.29,933 426.088,934 108.374,935 11,937 85.909,938 128.733,939 50.234,941 470.844,942 172.819,943 166.675,946 470.844,947 62.538,948 118.411,949 36.022,950 122.524,951 470.844,952 172.819,953 166.675,955 0.583,956 0.343,957 0.183,958 0.102,959 37,960 16,961 0.073,962 7,963 1,964 1.051,965 5.708,966 520.968,967 0.051,968 39,969 248.078,974 32.74,975 14.763,976 7.459,977 1.654,978 171.042,979 17.36,980 14.814,984 4.777,985 1.983,986 36.022,987 810.338,988 67,993 24.885,997 -0.617,999 90.465,1000 102.464,1001 0.246,1002 0.569,1003 0.745,1004 0.827,1005 0.847,1006 0.85,1007 5.483,1008 2.272,1009 6.409,1010 7.102,1011 5.03,1012 5.47,1013 2.962,1014 7.222,1015 4.923,1016 6.661,1017 2.233,1018 7.967,1019 6.902,1020 4.575,1021 5.247,1022 2.282,1023 8.116,1024 4.413,1025 7.958,1026 1.898,1027 9.622,1028 6.081,1029 6.629,1030 7.611,1031 3.844,1032 11.221,1033 6.417,1034 9.289,1035 1.794,1036 11.337,1037 5.107,1038 7.004,1039 8.259,1040 3.888,1041 12.964,1042 6.735,1043 10.655,1044 1.495,1045 13.09,1046 4.93,1047 8.503,1048 10.106,1049 5.125,1050 15.586,1051 8.187,1052 12.045,1053 1.474,1054 14.871,1055 4.264,1056 9.263,1057 11.178,1058 5.5,1059 17.694,1060 8.891,1061 13.454,1062 1.39,1063 16.672,1064 3.904,1065 10.537,1066 12.82,1067 6.553,1068 20.162,1069 10.118,1070 3.289,1071 1.219,1072 18.488,1073 3.712,1074 11.488,1075 14.114,1076 7.102,1077 22.439,1078 11.013,1079 2.893,1080 11.617,1081 20.317,1082 2.975,1083 12.67,1084 15.674,1085 8.048,1086 24.865,1087 12.149,1088 2.886,1089 9.601,1090 22.157,1091 4.638,1092 13.718,1093 17.083,1094 8.696,1095 27.223,1096 13.142,1097 2.785,1098 9.075,1099 24.006,1100 3.797,1101 14.869,1102 18.614,1103 9.58,1104 29.645,1105 14.244,1106 2.706,1107 8.931,1108 25.862,1109 3.701,1110 15.968,1111 20.082,1112 10.287,1113 32.043,1114 15.289,1115 2.612,1116 8.496,1117 27.726,1118 3.37,1119 17.113,1120 21.606,1121 11.134,1122 34.471,1123 16.384,1124 2.409,1125 7.617,1126 29.596,1127 3.175,1128 18.24,1129 23.104,1130 11.875,1131 36.892,1132 17.458,1133 46568,1134 72794,1135 36.986,1136 58.057,1137 81.549,1138 83.487,1139 83.339,1140 80.95,1141 80.965,1142 99.622,1143 16.312,1144 233.936,1145 76.687,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 20.753,1156 1.51,1157 1.546,1158 1.543,1159 1.499,1160 1.499,1161 1.845,1162 0.302,1163 4.332,1164 1.42,1165 4.145,1166 4.196,1167 4.119,1168 3.988,1169 7.434,1170 4.012,1171 3.97,1172 4.018,1173 3.909,1174 3.858,1175 7.43,1176 3.865,1177 3.895,1178 3.936,1179 3.833,1180 3.803,1181 5.136,1182 3.806,1183 3.815,1184 3.869,1185 3.725,1186 3.643,1187 4.775,1188 3.651,1189 3.743,1190 3.808,1191 3.633,1192 3.559,1193 4.738,1194 3.567,1195 3.715,1196 3.771,1197 3.607,1198 3.486,1199 4.623,1200 3.505,1201 3.451,1202 3.495,1203 3.4,1204 3.174,1205 4.52,1206 3.225,1207 3.407,1208 3.44,1209 3.32,1210 3.108,1211 4.473,1212 3.159,1213 0.087,1214 0.07,1215 0.128,1216 0.078,1217 0.061,1218 4.693,1219 0.086,1220 3.761,1221 0.041,1222 6.903,1223 0.215,1224 4.237,1225 0.058,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.957,1232 1.925,1233 2.052,1234 2.104,1235 1.409,1236 2.086,1237 1.92,1238 1.883,1239 2.045,1240 2.067,1241 1.304,1242 2.065,1243 1.847,1244 1.796,1245 2.012,1246 2.022,1247 1.219,1248 2.02,1249 1.776,1250 1.728,1251 1.933,1252 1.964,1253 1.106,1254 1.958,1255 1.708,1256 1.638,1257 1.908,1258 1.901,1259 1.049,1260 1.907,1261 1.584,1262 1.535,1263 1.719,1264 1.796,1265 0.881,1266 1.774,1267 1.339,1268 1.291,1269 1.602,1270 1.672,1271 0.825,1272 1.632,1273 1.282,1274 1.233,1275 1.542,1276 1.573,1277 0.825,1278 1.542,1279 4.691,1281 6.023,1282 2.398,1283 7.551,1284 4.727,1285 9.163,1286 6.862,1287 10.819,1289 3.553,1295 9.476,1296 5.857,1297 10.526,1299 0.094,1300 8.638,1305 55.502,1306 143.596,1307 332.648,1308 435.247,1309 483.247,1310 494.757,1311 496.757,1312 82.697,1313 9.653,1314 133.22,1315 133.22,1316 41,1317 13.184,1318 4.644,1319 3.807,1320 68.869,1321 310,1322 382,1323 0.103,1324 333.955,1325 580.12,1326 806.611,1327 283420,1329 33.037,1330 0.688,1331 0.572,1332 33.037,1333 27.469,1334 23.445,1335 0.434,1336 0.307,1337 16.246,1338 22.201,1339 15.934,1340 13.084,1341 23.445,1342 16.578,1343 21.081,1344 0.277,1345 0.164,1346 21.081,1347 12.479,1348 18.407,1349 0.179,1350 0.091,1351 18.407,1352 9.382,1353 15.314,1354 0.113,1355 0.048,1356 15.314,1357 6.562,1358 12.788,1359 0.071,1360 0.026,1361 12.788,1362 4.717,1363 0.168,1364 148.986,1365 0.164,1366 42.316,1367 0.267,1368 260,1369 756.769,1370 292.525,1371 716.49,1372 989.14,1373 676,1374 309,1375 736.973,1376 343.087,1377 739.128,1378 1089.73,1379 694,1380 7.824}
{0 CHEMBL557895,1 1.516,2 13.789,3 2.784,4 7.751,5 146.845,6 7.207,7 0.512,8 4.369,9 4.498,10 3.925,11 3.883,12 5.39,13 3.865,14 4.947,15 5.136,16 4.286,17 4.289,18 5.927,19 4.251,20 5.211,21 5.438,22 4.332,23 4.445,24 6.123,25 4.37,26 5.274,27 5.533,28 4.333,29 4.472,30 6.142,31 4.378,32 5.246,33 5.479,34 4.372,35 4.503,36 6.167,37 4.417,38 5.285,39 5.519,40 4.375,41 4.513,42 6.188,43 4.43,44 5.277,45 5.513,46 4.334,47 4.485,48 6.211,49 4.39,50 5.264,51 5.509,52 4.254,53 4.482,54 6.098,55 4.368,56 0.046,57 1.116,58 15.331,59 6.214,60 9.239,61 8.609,62 0.368,63 1.827,64 30.182,65 10.114,66 32.452,67 14.565,68 0.499,69 2.236,70 41.152,71 13.025,72 50.014,73 19.364,74 0.53,75 2.354,76 44.6,77 14.396,78 47.868,79 21.826,80 0.445,81 2.319,82 42.277,83 14.521,84 51.94,85 21.448,86 0.414,87 2.417,88 44.017,89 14.018,90 47.315,91 21.132,92 0.703,93 2.346,94 44.227,95 14.131,96 66.844,97 21.212,98 0.41,99 2.291,100 43.444,101 15.117,102 43.692,103 22.315,104 7,105 60,106 0.235,107 0.573,108 0.749,109 0.82,110 0.833,111 0.833,112 3.668,113 0.932,114 -5.3,115 -5.19,116 -4.85,119 40.8,120 1,121 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,158 1,161 1,166 1,172 10,174 3,175 13,178 1,180 3,183 11,186 2,187 8,192 2,195 5,198 6,199 10,204 1,207 7,211 2,212 11,215 2,220 8,223 1,224 11,232 8,236 5,237 9,240 2,242 1,245 7,249 2,250 9,253 1,258 3,262 2,263 13,268 2,271 5,275 3128,276 26.308,277 26.308,278 26.308,279 26.308,280 26.308,281 23.617,282 33.846,283 15.778,284 26.894,285 21.334,286 21.334,287 21.334,288 21.334,289 21.334,290 17.229,291 47.849,292 7.6,293 22.3,294 4.634,295 2.449,296 1.314,297 0.856,298 0.771,299 0.771,300 4.388,305 1,306 1162,307 3.24,310 86.876,311 579.183,314 156.703,318 2.127,319 29.165,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 81.5,331 524,332 4.694,333 3.533,334 6.903,335 4.238,336 3.289,337 4.638,338 1.907,339 11.617,340 3.121,341 4.208,342 3.38,343 6.33,344 3.84,345 2.878,346 3.827,347 0.916,348 9.601,349 2.783,350 4.001,351 3.077,352 6.133,353 3.744,354 2.788,355 3.457,356 0.86,357 9.054,358 2.657,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.362,365 0.8,366 7.743,367 2.546,368 3.743,369 2.843,370 5.517,371 3.412,372 2.447,373 3.085,374 0.172,375 7.192,376 2.359,377 3.524,378 2.538,379 5.399,380 3.312,381 2.344,382 2.612,383 0.149,384 7.03,385 2.248,386 3.379,387 2.39,388 5.044,389 3.049,390 2.104,391 2.595,393 6.051,394 1.982,395 3.253,396 2.308,397 4.746,398 2.936,399 1.925,400 2.345,402 4.826,403 1.928,404 2.95,405 2.118,406 4.543,407 2.653,408 1.734,409 2.107,411 4.781,412 1.593,413 2.915,414 1.579,415 4.262,416 2.42,417 1.45,418 2.039,420 3.954,421 1.407,422 2.816,423 1.531,424 4.082,425 2.413,426 1.427,427 1.909,428 3.225,429 1.396,430 2.651,431 1.487,432 3.754,433 2.17,434 1.256,435 1.714,436 2.992,437 1.155,438 2.5,439 1.256,440 3.587,441 2.141,442 1.174,443 1.5,445 2.89,446 1.118,447 2.489,448 1.197,449 3.481,450 2,451 1.038,452 1.484,454 2.533,455 1,456 2.381,457 1.077,458 3.414,459 1.992,460 1,461 1.369,463 2.275,464 0.986,465 17.967,466 0.473,467 0.794,468 0.021,469 48.5,470 1.276,471 22.5,472 0.592,473 26,474 0.684,475 36.581,476 0.963,477 40.833,478 0.575,479 39.063,480 1.028,481 9.443,482 0.249,483 9.193,484 0.242,485 0.046,487 0.317,493 0.786,494 1.454,495 0.791,496 1.173,497 0.598,498 1.011,499 1.116,500 1.161,501 0.945,502 0.978,503 0.652,504 0.941,505 1.201,506 1.151,507 1.056,508 0.984,509 1.049,510 0.996,511 0.755,512 0.932,513 0.904,514 0.895,515 0.611,516 0.903,517 0.812,518 1.069,519 0.942,520 1.008,521 0.901,522 0.989,523 1.043,524 1.156,525 1.069,526 1.054,527 0.853,528 1.048,529 0.908,530 1.041,531 1.093,532 1.035,533 0.754,534 1.072,535 0.802,536 1.034,537 1.051,538 1.095,539 0.631,540 1.096,541 6.5,542 0.27,543 3.333,544 1.972,545 1.796,546 1.337,547 1.055,548 0.536,549 0.365,550 0.372,551 23616,552 55477,553 2.192,554 46.5,556 24,558 1,559 1,560 3,562 4,564 1.792,565 2.111,566 3.698,567 -0.374,573 107.634,574 1.516,575 3.701,576 4.836,577 5.294,578 5.379,579 5.379,580 3.229,581 4.702,582 5.211,583 3.904,584 2744.69,585 9.211,586 45030.3,591 436.632,592 1.167,593 5.205,594 0.151,595 0.006,596 0.056,597 0.032,598 0.029,599 0.021,600 0.017,601 0.009,602 0.007,603 0.007,604 0.335,605 0.17,606 0.75,607 0.638,608 209.94,609 0.038,610 -0.229,611 0.086,612 -0.099,613 0.014,614 -0.018,615 -0.01,616 -0.02,617 0.01,618 0.009,619 0.073,620 0.008,621 -0.123,622 -0.088,623 -0.076,624 -0.017,625 -0.078,626 -0.04,627 0.056,628 0.106,629 0.072,630 0.063,631 0.052,632 0.069,633 0.033,634 -0.019,635 0.016,636 -0.015,637 -0.038,638 -0.005,639 -0.121,640 -0.08,641 -0.101,642 -0.09,643 -0.089,644 -0.088,645 0.087,646 0.021,647 -0.116,648 -0.075,649 0.043,650 -0.115,651 -0.02,652 -0.009,653 -0.093,654 -0.1,655 -0.012,656 -0.103,657 1.774,658 4.631,659 0.868,660 50.26,661 0.998,662 1.131,663 4.071,664 16.576,665 0.66,666 3.784,667 4.111,668 4.407,669 4.727,670 5.011,671 5.159,672 5.412,673 5.624,674 5.796,675 5.966,676 8.015,677 0.626,678 511.69,679 3.784,680 5.333,681 6.192,682 7.079,683 7.96,684 8.857,685 9.75,686 10.654,687 11.555,688 12.465,689 9.9,692 1,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 71,733 23,734 2,735 43,737 76,738 29,739 17,740 3,741 9,746 6,747 7,752 1,755 3,758 3,761 18,762 11,766 1,771 1,775 1,781 33,782 8,783 1,784 9,790 7,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,826 1,836 1,839 1,840 5,844 1,848 38,854 9,855 1,856 1,858 1,859 2,870 2.8,873 1,874 1,877 18,878 12.95,879 8.25,880 4.452,881 3.907,882 1.44,883 1.009,884 7.367,885 12.782,886 4.025,887 4.608,888 5.195,889 5.829,890 6.397,891 6.78,892 7.299,893 7.772,894 8.134,895 8.542,896 1,897 61,898 14.088,900 6.028,901 7.557,902 27.588,904 23.24,905 2.057,906 78.167,910 376.675,911 150.718,912 76.27,914 36.145,917 150.718,918 412.82,919 76.27,920 8.825,921 42.793,922 85.286,923 104.57,924 31.101,925 2.328,926 364.904,928 376.675,929 226.988,930 36.145,933 331.919,934 72.229,935 11,937 67.282,938 107.144,939 50.234,941 376.675,942 112.415,943 150.718,946 376.675,947 47.559,948 111.184,949 18.011,950 86.379,951 376.675,952 112.415,953 150.718,955 0.576,956 0.329,957 0.188,958 0.107,959 30,960 12,961 0.079,962 6,963 1,964 1.061,965 4.838,966 391.343,967 0.061,968 33,969 181.421,974 24.993,975 11.202,976 5.61,977 1.836,978 110.638,979 20.29,980 14.922,984 4.467,985 2.113,986 18.011,987 639.808,988 55,993 11.631,997 -0.107,999 70.854,1000 80.305,1001 0.247,1002 0.602,1003 0.786,1004 0.861,1005 0.875,1006 0.875,1007 5.27,1008 1.925,1009 6.163,1010 6.051,1011 4.796,1012 5.296,1013 2.397,1014 6.974,1015 4.71,1016 6.452,1017 1.734,1018 7.711,1019 4.826,1020 4.29,1021 5.027,1022 1.738,1023 7.854,1024 4.166,1025 7.747,1026 1.45,1027 9.36,1028 4.781,1029 6.378,1030 7.466,1031 3.033,1032 10.994,1033 6.204,1034 9.077,1035 1.427,1036 11.073,1037 3.954,1038 6.723,1039 8.092,1040 3.069,1041 12.754,1042 6.501,1043 10.444,1044 1.256,1045 12.828,1046 3.225,1047 8.25,1048 9.992,1049 4.068,1050 15.405,1051 7.983,1052 11.838,1053 1.174,1054 14.613,1055 2.992,1056 9.004,1057 11.065,1058 4.417,1059 17.54,1060 8.684,1061 13.254,1062 1.038,1063 16.422,1064 2.89,1065 10.298,1066 12.738,1067 5.257,1068 20.033,1069 9.932,1070 3.289,1071 1,1072 18.247,1073 2.533,1074 11.257,1075 14.04,1076 5.751,1077 22.333,1078 10.835,1079 2.878,1080 11.617,1081 20.087,1082 2.275,1083 12.456,1084 15.618,1085 6.503,1086 24.779,1087 11.987,1088 2.788,1089 9.601,1090 21.939,1091 4.638,1092 13.518,1093 17.036,1094 7.069,1095 27.155,1096 12.992,1097 2.649,1098 9.054,1099 23.8,1100 3.827,1101 14.684,1102 18.578,1103 7.771,1104 29.591,1105 14.109,1106 2.447,1107 7.743,1108 25.669,1109 3.457,1110 15.798,1111 20.053,1112 8.375,1113 32.001,1114 15.166,1115 2.344,1116 7.192,1117 27.546,1118 3.362,1119 16.958,1120 21.583,1121 9.051,1122 34.438,1123 16.273,1124 2.104,1125 7.03,1126 29.428,1127 3.085,1128 18.1,1129 23.086,1130 9.674,1131 36.867,1132 17.359,1133 21757,1134 33530,1135 29.819,1136 46.847,1137 64.825,1138 65.548,1139 65.185,1140 64.536,1141 64.534,1142 82.023,1143 9.61,1144 184.211,1145 61.829,1146 5.694,1147 5.533,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.306,1153 19.166,1154 5.121,1155 12.432,1156 1.508,1157 1.524,1158 1.516,1159 1.501,1160 1.501,1161 1.908,1162 0.223,1163 4.284,1164 1.438,1165 4.143,1166 4.195,1167 4.118,1168 3.988,1169 7.43,1170 4.012,1171 3.931,1172 3.973,1173 3.855,1174 3.855,1175 5.135,1176 3.85,1177 3.896,1178 3.932,1179 3.84,1180 3.803,1181 4.757,1182 3.809,1183 3.782,1184 3.839,1185 3.675,1186 3.626,1187 4.749,1188 3.627,1189 3.693,1190 3.751,1191 3.577,1192 3.484,1193 4.623,1194 3.499,1195 3.523,1196 3.569,1197 3.433,1198 3.296,1199 4.482,1200 3.32,1201 3.282,1202 3.355,1203 3.206,1204 3.081,1205 4.253,1206 3.094,1207 3.141,1208 3.211,1209 3.026,1210 2.984,1211 4.011,1212 2.992,1213 0.109,1214 0.082,1215 0.161,1216 0.099,1217 0.076,1218 4.694,1219 0.108,1220 3.533,1221 0.044,1222 6.903,1223 0.27,1224 4.238,1225 0.073,1226 3.289,1227 4.638,1228 1.907,1229 11.617,1230 3.121,1231 1.959,1232 1.926,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.031,1240 2.048,1241 1.22,1242 2.048,1243 1.828,1244 1.784,1245 1.988,1246 1.964,1247 1.14,1248 1.968,1249 1.77,1250 1.719,1251 1.933,1252 1.95,1253 1.107,1254 1.955,1255 1.584,1256 1.535,1257 1.734,1258 1.796,1259 0.884,1260 1.78,1261 1.442,1262 1.391,1263 1.69,1264 1.678,1265 0.825,1266 1.681,1267 1.316,1268 1.237,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.73,1278 1.429,1279 4.466,1281 5.79,1282 2.398,1283 7.311,1284 4.727,1285 8.922,1286 6.862,1287 10.582,1289 1.509,1295 7.968,1296 2.866,1297 5.603,1299 0.283,1300 4.786,1305 44.428,1306 107.634,1307 262.776,1308 343.348,1309 375.877,1310 381.877,1311 381.877,1312 56.104,1313 8.875,1314 88.41,1315 88.41,1316 35,1317 12.983,1318 4.585,1319 3.7,1320 52.87,1321 175,1322 219,1323 0.141,1324 267.939,1325 458.04,1326 645.532,1327 97825,1329 25.899,1330 0.682,1331 0.571,1332 25.899,1333 21.715,1334 18.636,1335 0.433,1336 0.311,1337 13.163,1338 17.871,1339 12.894,1340 10.596,1341 18.636,1342 13.361,1343 16.805,1344 0.28,1345 0.168,1346 16.805,1347 10.052,1348 14.071,1349 0.174,1350 0.091,1351 14.071,1352 7.337,1353 12.444,1354 0.111,1355 0.048,1356 12.444,1357 5.426,1358 10.476,1359 0.07,1360 0.026,1361 10.476,1362 3.916,1363 0.222,1364 116.798,1365 0.183,1366 34.357,1367 0.39,1368 206,1369 549.675,1370 226.385,1371 530.489,1372 741.03,1373 502,1374 244,1375 558.256,1376 266.054,1377 562.357,1378 828.47,1379 531,1380 5.698}
{0 CHEMBL557963,1 1.66,2 15.805,3 1.525,4 2.327,5 149.322,6 7.746,7 0.478,8 4.405,9 4.528,10 4.01,11 3.861,12 5.513,13 3.877,14 4.968,15 5.146,16 4.373,17 4.26,18 6.075,19 4.254,20 5.201,21 5.417,22 4.43,23 4.415,24 6.211,25 4.379,26 5.279,27 5.506,28 4.423,29 4.428,30 6.345,31 4.385,32 5.241,33 5.455,34 4.406,35 4.438,36 6.305,37 4.392,38 5.242,39 5.465,40 4.4,41 4.448,42 6.259,43 4.389,44 5.213,45 5.437,46 4.375,47 4.449,48 6.201,49 4.384,50 5.23,51 5.446,52 4.34,53 4.478,54 6.244,55 4.383,56 0.134,57 1.162,58 14.137,59 5.749,60 11.151,61 7.684,62 0.802,63 1.826,64 29.298,65 9.319,66 52.348,67 13.06,68 0.699,69 2.19,70 38.873,71 11.772,72 54.071,73 17.349,74 0.967,75 2.249,76 43.847,77 12.75,78 88.16,79 18.331,80 0.821,81 2.195,82 41.257,83 12.758,84 87.743,85 18.201,86 0.873,87 2.247,88 41.016,89 12.761,90 72.06,91 18.677,92 0.804,93 2.188,94 39.498,95 12.67,96 59.469,97 18.709,98 0.698,99 2.182,100 39.383,101 15.218,102 66.936,103 21.339,104 12,105 64,106 0.256,107 0.604,108 0.764,109 0.812,110 0.816,111 0.82,112 3.742,113 0.886,114 -3.64,115 -3.61,116 -3.44,119 38.9,121 2,124 1,125 6,127 1,142 6,143 2,144 2,145 3,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 13,178 2,179 1,180 4,183 6,186 2,187 6,192 2,195 2,198 6,199 16,202 1,204 5,207 3,211 2,212 8,217 2,220 2,223 4,224 12,227 3,229 1,232 8,236 5,237 3,245 8,249 6,250 7,253 4,255 1,258 6,263 8,266 1,275 3937,276 28.386,277 28.386,278 28.386,279 28.386,280 28.386,281 25.616,282 36.889,283 16.841,284 29.291,285 22.689,286 22.689,287 22.689,288 22.689,289 22.689,290 18.334,291 50.818,292 7.971,293 24.005,294 4.51,295 2.25,296 1.209,297 0.899,298 0.872,299 0.844,300 4.458,306 1428,307 3.808,310 102.951,311 664.606,314 183.441,318 2.346,319 42.67,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 90.5,331 648,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.888,346 3.797,347 1.656,348 9.601,349 2.764,350 4.021,351 3.377,352 6.107,353 3.752,354 2.789,355 3.48,356 0.86,357 8.931,358 2.666,359 3.966,360 3.028,361 6.011,362 3.633,363 2.707,364 3.365,365 0.8,366 8.496,367 2.541,368 3.907,369 2.823,370 5.572,371 3.605,372 2.643,373 3.148,374 0.655,375 7.636,376 2.491,377 3.757,378 2.567,379 5.557,380 3.369,381 2.407,382 3.091,383 0.247,384 7.103,385 2.314,386 3.424,387 2.526,388 5.323,389 3.213,390 2.255,391 2.656,392 0.13,393 6.915,394 2.146,395 3.388,396 2.386,397 4.789,398 2.941,399 1.951,400 2.498,402 5.114,403 1.919,404 2.996,405 2.301,406 4.676,407 2.721,408 1.795,409 2.177,411 4.93,412 1.656,413 2.964,414 2.075,415 4.405,416 2.447,417 1.503,418 2.051,420 4.244,421 1.416,422 2.843,423 1.535,424 4.24,425 2.394,426 1.476,427 1.972,428 3.713,429 1.339,430 2.7,431 1.528,432 3.96,433 2.314,434 1.374,435 1.722,436 2.998,437 1.285,438 2.5,439 1.519,440 3.759,441 2.108,442 1.218,443 1.5,445 2.97,446 1.074,447 2.5,448 1.461,449 3.569,450 2.018,451 1.07,452 1.5,454 2.84,455 1.01,456 2.494,457 1.256,458 3.423,459 2,460 1,461 1.485,463 2.275,464 1,465 18.933,466 0.462,467 0.845,468 0.021,469 53.75,470 1.311,471 24.5,472 0.598,473 29.25,474 0.713,475 37.577,476 0.917,477 44.667,478 0.62,479 46.301,480 1.129,481 10.7,482 0.261,483 9.385,484 0.229,485 0.062,487 0.327,493 0.811,494 1.581,495 0.729,496 1.241,497 0.567,498 1.006,499 0.924,500 1.1,501 0.9,502 0.914,503 0.578,504 0.903,505 0.992,506 1.202,507 0.964,508 1.014,509 0.8,510 0.976,511 1.151,512 0.926,513 1.046,514 0.907,515 1.257,516 0.941,517 1.142,518 1.092,519 1.044,520 0.989,521 1.324,522 0.994,523 0.869,524 1.015,525 1.032,526 0.992,527 0.878,528 1.027,529 0.742,530 0.991,531 1.001,532 0.988,533 0.513,534 1.02,535 0.495,536 1.01,537 1,538 1.261,539 0.475,540 1.243,541 7,542 0.36,543 4.444,544 2.222,545 1.836,546 1.705,547 1.154,548 0.486,549 0.371,550 0.419,551 30133,552 84815,553 2.162,554 43.1,556 22,558 3,559 2,562 4,564 1.808,565 2.067,566 3.872,567 0.21,573 119.519,574 1.66,575 3.92,576 4.961,577 5.271,578 5.298,579 5.326,580 3.37,581 4.919,582 5.319,583 4.087,584 3351.51,585 9.416,586 59650.7,591 444.235,592 1.237,593 5.308,594 0.152,595 0.008,596 0.069,597 0.033,598 0.028,599 0.026,600 0.018,601 0.008,602 0.006,603 0.008,604 0.358,605 0.33,606 0.63,607 0.668,608 233.993,609 -0.038,610 -0.324,611 0.075,612 -0.158,613 -0.004,614 -0.042,615 0.097,616 0.04,617 0.017,618 0.073,619 0.108,620 0.029,621 -0.112,622 -0.132,623 -0.022,624 -0.032,625 -0.025,626 -0.009,627 -0.131,628 0.105,629 -0.063,630 0.046,631 -0.116,632 0.011,633 -0.163,634 -0.059,635 -0.085,636 0.005,637 -0.167,638 -0.02,639 -0.026,640 0.047,641 -0.087,642 -0.011,643 -0.058,644 -0.054,645 0.015,646 0.077,647 -0.071,648 0.012,649 0.026,650 -0.03,651 0.179,652 0.023,653 -0.09,654 -0.195,655 0.135,656 -0.202,657 2.015,658 5.415,659 0.805,660 61.246,661 1.013,662 1.137,663 2.408,664 5.8,665 0.656,666 3.85,667 4.174,668 4.477,669 4.762,670 5.03,671 5.187,672 5.434,673 5.624,674 5.787,675 5.981,676 8.979,677 0.637,678 557.68,679 3.85,680 5.398,681 6.26,682 7.141,683 8.021,684 8.913,685 9.803,686 10.702,687 11.6,688 12.505,689 12.5,695 1,696 3,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 72,733 24,734 1,735 46,737 77,738 28,739 16,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 18,762 10,766 2,771 2,775 2,781 31,782 12,783 2,784 13,790 9,794 0.833,795 4,803 1,805 1,806 1,811 1,812 5,815 1,837 1,839 1,840 5,844 1,848 41,854 8,855 2,856 2,858 1,859 2,870 5.6,873 2,874 1,875 1,877 19.833,878 13.15,879 9.028,880 4.314,881 4.034,882 1.45,883 0.995,884 8.278,885 13.004,886 4.094,887 4.666,888 5.249,889 5.851,890 6.411,891 6.8,892 7.318,893 7.793,894 8.156,895 8.599,896 0.909,897 67,898 15.178,900 6.511,901 7.752,902 28.961,904 23.912,905 2.252,906 92.333,910 341.362,911 146.241,912 111.066,914 72.29,917 146.241,918 413.652,919 111.066,920 10.883,921 61.822,922 56.857,923 165.338,924 56.643,925 13.366,926 306.049,928 341.362,929 257.307,930 72.29,933 296.605,934 108.374,935 11,937 92.457,938 95.503,939 67.02,941 341.362,942 183.356,943 146.241,946 341.362,947 51.358,948 102.908,949 36.022,950 139.309,951 341.362,952 183.356,953 146.241,955 0.577,956 0.341,957 0.185,958 0.101,959 31,960 13,961 0.078,962 6,963 1,964 1.061,965 5.1,966 424.883,967 0.061,968 33,969 203.66,974 27.394,975 12.39,976 6.125,977 1.643,978 181.579,979 15.93,980 18.648,984 3.497,985 1.971,986 36.022,987 670.959,988 59,993 24.389,997 -0.654,999 72.945,1000 81.89,1001 0.269,1002 0.635,1003 0.804,1004 0.854,1005 0.859,1006 0.863,1007 5.34,1008 1.951,1009 6.232,1010 6.915,1011 4.86,1012 5.354,1013 2.857,1014 7.045,1015 4.755,1016 6.522,1017 1.795,1018 7.787,1019 5.114,1020 4.369,1021 5.103,1022 2.2,1023 7.941,1024 4.225,1025 7.82,1026 1.503,1027 9.442,1028 4.93,1029 6.45,1030 7.517,1031 3.824,1032 11.064,1033 6.244,1034 9.153,1035 1.476,1036 11.16,1037 4.244,1038 6.815,1039 8.152,1040 3.876,1041 12.825,1042 6.564,1043 10.521,1044 1.374,1045 12.918,1046 3.713,1047 8.328,1048 10.029,1049 5.122,1050 15.461,1051 8.022,1052 11.916,1053 1.218,1054 14.705,1055 2.998,1056 9.091,1057 11.099,1058 5.498,1059 17.587,1060 8.735,1061 13.33,1062 1.07,1063 16.512,1064 2.97,1065 10.374,1066 12.759,1067 6.553,1068 20.07,1069 9.966,1070 3.289,1071 1,1072 18.336,1073 2.84,1074 11.334,1075 14.056,1076 7.101,1077 22.362,1078 10.873,1079 2.888,1080 11.617,1081 20.173,1082 2.275,1083 12.524,1084 15.628,1085 8.048,1086 24.801,1087 12.013,1088 2.789,1089 9.601,1090 22.021,1091 4.638,1092 13.582,1093 17.041,1094 8.696,1095 27.17,1096 13.017,1097 2.707,1098 8.931,1099 23.877,1100 3.797,1101 14.741,1102 18.58,1103 9.58,1104 29.601,1105 14.126,1106 2.643,1107 8.496,1108 25.742,1109 3.48,1110 15.85,1111 20.053,1112 10.287,1113 32.009,1114 15.181,1115 2.407,1116 7.636,1117 27.613,1118 3.365,1119 17.004,1120 21.581,1121 11.134,1122 34.443,1123 16.283,1124 2.255,1125 7.103,1126 29.49,1127 3.148,1128 18.14,1129 23.083,1130 11.875,1131 36.87,1132 17.366,1133 27921,1134 47009,1135 31.611,1136 47.245,1137 69.065,1138 71.114,1139 70.434,1140 68.623,1141 68.676,1142 87.152,1143 13.112,1144 196.59,1145 65.083,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 15.964,1156 1.501,1157 1.546,1158 1.531,1159 1.492,1160 1.493,1161 1.895,1162 0.285,1163 4.274,1164 1.415,1165 4.141,1166 4.193,1167 4.117,1168 3.983,1169 7.434,1170 4.009,1171 3.916,1172 3.958,1173 3.862,1174 3.808,1175 7.43,1176 3.815,1177 3.86,1178 3.907,1179 3.796,1180 3.742,1181 5.136,1182 3.751,1183 3.81,1184 3.861,1185 3.722,1186 3.642,1187 4.909,1188 3.651,1189 3.714,1190 3.771,1191 3.607,1192 3.487,1193 4.75,1194 3.505,1195 3.446,1196 3.487,1197 3.395,1198 3.158,1199 4.623,1200 3.211,1201 3.398,1202 3.433,1203 3.316,1204 3.101,1205 4.52,1206 3.152,1207 3.193,1208 3.265,1209 3.126,1210 2.941,1211 4.474,1212 2.968,1213 0.102,1214 0.082,1215 0.15,1216 0.092,1217 0.071,1218 4.693,1219 0.101,1220 3.761,1221 0.048,1222 6.903,1223 0.253,1224 4.237,1225 0.068,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.85,1238 1.801,1239 2.014,1240 2.026,1241 1.219,1242 2.023,1243 1.82,1244 1.777,1245 1.939,1246 1.988,1247 1.106,1248 1.975,1249 1.774,1250 1.727,1251 1.925,1252 1.941,1253 0.948,1254 1.941,1255 1.584,1256 1.535,1257 1.719,1258 1.797,1259 0.881,1260 1.774,1261 1.339,1262 1.291,1263 1.602,1264 1.671,1265 0.825,1266 1.632,1267 1.255,1268 1.21,1269 1.513,1270 1.556,1271 0.825,1272 1.512,1273 1.189,1274 1.11,1275 1.513,1276 1.519,1277 0.63,1278 1.497,1279 4.533,1281 5.855,1282 2.398,1283 7.377,1284 4.727,1285 8.986,1286 6.862,1287 10.642,1289 1.404,1295 5.394,1296 5.619,1297 10.467,1299 0.096,1300 3.928,1305 45.847,1306 119.519,1307 282.247,1308 357.215,1309 379.48,1310 381.48,1311 383.48,1312 69.651,1313 8.969,1314 139.63,1315 139.63,1316 35,1317 13.026,1318 4.644,1319 3.807,1320 59.369,1321 213,1322 259,1323 0.13,1324 277,1325 477.68,1326 667.641,1327 112512,1329 28.183,1330 0.687,1331 0.554,1332 28.183,1333 22.694,1334 20.085,1335 0.437,1336 0.295,1337 13.297,1338 18.977,1339 13.095,1340 10.753,1341 20.085,1342 13.581,1343 17.784,1344 0.278,1345 0.154,1346 17.784,1347 9.877,1348 15.513,1349 0.178,1350 0.084,1351 15.513,1352 7.327,1353 13.084,1354 0.113,1355 0.045,1356 13.084,1357 5.177,1358 10.754,1359 0.071,1360 0.024,1361 10.754,1362 3.627,1363 0.207,1364 128.054,1365 0.178,1366 36.872,1367 0.351,1368 220,1369 695.124,1370 249.75,1371 656.322,1372 900.69,1373 618,1374 261,1375 667.508,1376 291.368,1377 667.441,1378 981.86,1379 627,1380 7.745}
{0 CHEMBL558288,1 1.635,2 13.278,3 0.452,4 0.204,5 133.651,6 7.368,7 0.4,8 4.322,9 4.46,10 3.882,11 3.748,12 5.389,13 3.757,14 4.899,15 5.1,16 4.247,17 4.157,18 5.95,19 4.14,20 5.139,21 5.366,22 4.325,23 4.321,24 6.132,25 4.279,26 5.207,27 5.442,28 4.311,29 4.353,30 6.251,31 4.301,32 5.18,33 5.412,34 4.292,35 4.383,36 6.164,37 4.313,38 5.191,39 5.429,40 4.279,41 4.376,42 6.13,43 4.299,44 5.164,45 5.408,46 4.243,47 4.335,48 6.108,49 4.259,50 5.133,51 5.364,52 4.204,53 4.347,54 6.118,55 4.246,56 0.11,57 1.077,58 14.477,59 5.07,60 8.945,61 7.559,62 0.674,63 1.665,64 29.257,65 8.385,66 42.806,67 12.943,68 0.63,69 1.972,70 38.385,71 10.629,72 52.168,73 16.97,74 0.873,75 2.053,76 41.903,77 11.031,78 83.946,79 17.366,80 0.634,81 2.046,82 39.911,83 11.987,84 67.835,85 18.677,86 0.658,87 2.067,88 40.293,89 12.006,90 53.112,91 18.886,92 0.744,93 1.969,94 39.714,95 11.351,96 55.835,97 18.198,98 0.633,99 1.918,100 37.552,101 13.272,102 61.223,103 19.524,104 26,105 56,106 0.258,107 0.598,108 0.76,109 0.798,110 0.807,111 0.821,112 3.616,113 0.916,114 -3.49,115 -3.46,116 -3.31,119 35.8,121 2,124 2,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 4,175 11,178 4,179 1,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 12,204 5,207 3,211 2,212 8,217 2,220 2,223 2,224 12,227 3,229 1,232 4,236 4,237 3,240 1,245 4,249 5,250 4,253 5,255 2,258 4,263 6,266 1,275 2646,276 24.825,277 24.825,278 24.825,279 24.825,280 24.825,281 22.807,282 34.524,283 14.538,284 25.58,285 19.617,286 19.617,287 19.617,288 19.617,289 19.617,290 16.257,291 44.049,292 6.756,293 20.709,294 4.431,295 2.275,296 1.246,297 1.008,298 0.948,299 0.858,300 4.323,305 1,306 1033,307 3.742,310 85.39,311 429.936,314 153.375,318 2.006,319 36.193,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 79.5,331 478,332 4.693,333 3.673,334 6.903,335 4.237,336 3.289,337 4.638,338 1.701,339 11.617,340 3.12,341 4.185,342 3.54,343 6.331,344 3.84,345 2.888,346 3.796,347 1.656,348 9.601,349 2.765,350 4.015,351 3.377,352 6.107,353 3.751,354 2.783,355 3.37,356 0.86,357 8.93,358 2.676,359 3.91,360 3.027,361 6.011,362 3.64,363 2.706,364 3.162,365 0.8,366 8.496,367 2.523,368 3.815,369 2.821,370 5.562,371 3.484,372 2.524,373 3.091,374 0.563,375 7.325,376 2.416,377 3.461,378 2.544,379 5.464,380 3.222,381 2.263,382 2.689,383 0.247,384 7.085,385 2.158,386 3.401,387 2.393,388 4.794,389 3.029,390 2.044,391 2.498,392 0.075,393 5.327,394 2.001,395 2.996,396 2.293,397 4.775,398 2.726,399 1.795,400 2.165,402 4.931,403 1.667,404 2.957,405 2.07,406 4.413,407 2.442,408 1.494,409 2.048,411 4.252,412 1.412,413 2.701,414 1.535,415 4.24,416 2.411,417 1.473,418 1.723,420 3.713,421 1.369,422 2.5,423 1.528,424 3.96,425 2.113,426 1.22,427 1.5,428 2.975,429 1.081,430 2.495,431 1.256,432 3.759,433 2.023,434 1.072,435 1.486,436 2.844,437 1.016,438 2.327,439 1.118,440 3.424,441 2,442 1,443 1.299,445 2.275,446 1,447 2,448 1.098,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.086,458 3.414,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.6,466 0.461,467 0.777,468 0.022,469 43.75,470 1.215,471 18,472 0.5,473 25.75,474 0.715,475 34.332,476 0.954,477 40.4,478 0.603,479 37.361,480 1.038,481 8.729,482 0.242,483 8.838,484 0.246,485 0.1,487 0.343,493 0.823,494 1.686,495 0.784,496 1.296,497 0.569,498 1.061,499 0.905,500 1.046,501 0.891,502 0.903,503 0.563,504 0.89,505 1.052,506 1.207,507 0.933,508 0.994,509 0.848,510 0.943,511 1.222,512 0.927,513 1.097,514 0.884,515 1.397,516 0.946,517 0.929,518 1.112,519 0.99,520 1.031,521 1.008,522 1.019,523 0.814,524 1.105,525 1.022,526 1.092,527 0.681,528 1.086,529 0.79,530 1.01,531 0.995,532 0.99,533 0.506,534 1.01,535 0.514,536 0.996,537 0.979,538 1.229,539 0.473,540 1.202,541 6.5,542 0.368,543 4.444,544 1.91,545 1.685,546 1.587,547 1.054,548 0.514,549 0.338,550 0.357,551 19045,552 52120,553 2.12,554 46.3,556 23,558 1,559 3,562 4,564 1.779,565 2,566 3.641,567 0.883,573 109.525,574 1.635,575 3.791,576 4.82,577 5.058,578 5.118,579 5.208,580 3.128,581 4.781,582 5.13,583 3.836,584 2416.56,585 9.056,586 38061,591 406.428,592 1.352,593 5.109,594 0.162,595 0.01,596 0.079,597 0.032,598 0.029,599 0.027,600 0.019,601 0.01,602 0.007,603 0.008,604 0.383,605 0.33,606 0.63,607 1.103,608 195.342,609 -0.039,610 -0.354,611 0.072,612 -0.155,613 -0.013,614 -0.04,615 0.093,616 0.122,617 0.054,618 0.104,619 0.096,620 0.071,621 -0.104,622 -0.136,623 0.026,624 0.013,625 -0.007,626 0.04,627 -0.18,628 0.141,629 -0.117,630 0.076,631 -0.179,632 0.003,633 -0.094,634 -0.044,635 -0.049,636 0.003,637 -0.116,638 -0.011,639 -0.034,640 -0.026,641 -0.084,642 -0.074,643 -0.058,644 -0.086,645 0.014,646 0.053,647 -0.046,648 0.011,649 0.027,650 -0.017,651 0.185,652 0.071,653 -0.062,654 -0.15,655 0.143,656 -0.157,657 1.943,658 5.023,659 0.75,660 46.5,661 1.009,662 1.144,663 2.257,664 5.096,665 0.639,666 3.714,667 4.043,668 4.357,669 4.635,670 4.92,671 5.106,672 5.361,673 5.557,674 5.717,675 5.897,676 7.676,677 0.614,678 493.64,679 3.714,680 5.263,681 6.129,682 7.015,683 7.902,684 8.8,685 9.698,686 10.603,687 11.509,688 12.42,689 13.4,695 1,696 4,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 67,733 18,734 1,735 40,737 71,738 24,739 11,740 2,741 4,746 5,747 6,751 2,755 3,758 3,761 13,762 11,766 2,771 2,775 2,781 31,782 11,783 3,784 12,790 9,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 36,854 8,855 3,856 1,858 1,859 2,870 4.5,873 2,874 1,877 18,878 12.45,879 8.028,880 4.083,881 3.172,882 1.373,883 0.985,884 7.554,885 11.676,886 3.932,887 4.497,888 5.091,889 5.694,890 6.272,891 6.732,892 7.264,893 7.744,894 8.11,895 8.538,896 1,897 60,898 13.34,900 5.682,901 7.741,902 25.586,904 21.102,905 2.241,906 80.667,910 329.591,911 109.86,912 112.292,914 61.29,917 109.86,918 390.881,919 112.292,920 16.793,921 79.833,922 37.905,923 125.01,924 24.792,925 10.88,926 317.82,928 329.591,929 222.151,930 61.29,933 284.834,934 97.374,935 11,937 92.373,938 77.217,939 50.234,941 329.591,942 173.581,943 109.86,946 329.591,947 46.115,948 71.77,949 54.032,950 111.524,951 329.591,952 173.581,953 109.86,955 0.578,956 0.346,957 0.181,958 0.1,959 27,960 12,961 0.056,962 4,963 1,964 1.074,965 4.575,966 358.297,967 0.074,968 27,969 174.117,974 24.746,975 10.989,976 5.289,977 1.694,978 171.805,979 9.318,980 14.642,984 2.969,985 1.993,986 54.032,987 613.032,988 50,993 23.661,997 -0.325,999 67.618,1000 76.68,1001 0.269,1002 0.625,1003 0.795,1004 0.834,1005 0.844,1006 0.858,1007 5.187,1008 1.795,1009 6.111,1010 5.327,1011 4.727,1012 5.185,1013 2.616,1014 6.94,1015 4.626,1016 6.372,1017 1.494,1018 7.68,1019 4.931,1020 4.29,1021 5.017,1022 1.853,1023 7.881,1024 4.153,1025 7.677,1026 1.473,1027 9.349,1028 4.252,1029 6.337,1030 7.361,1031 3.181,1032 10.999,1033 6.136,1034 9.02,1035 1.22,1036 11.079,1037 3.713,1038 6.746,1039 8.079,1040 3.062,1041 12.786,1042 6.505,1043 10.399,1044 1.072,1045 12.848,1046 2.975,1047 8.236,1048 9.907,1049 4.013,1050 15.424,1051 7.936,1052 11.803,1053 1,1054 14.644,1055 2.844,1056 9.031,1057 11.041,1058 4.194,1059 17.565,1060 8.685,1061 13.227,1062 1,1063 16.459,1064 2.275,1065 10.302,1066 12.675,1067 4.953,1068 20.051,1069 9.903,1070 3.289,1071 1,1072 18.291,1073 2.275,1074 11.283,1075 14.014,1076 5.287,1077 22.351,1078 10.832,1079 2.888,1080 11.617,1081 20.134,1082 2.136,1083 12.471,1084 15.575,1085 5.942,1086 24.792,1087 11.968,1088 2.783,1089 9.601,1090 21.987,1091 4.638,1092 13.542,1093 17.013,1094 6.359,1095 27.165,1096 12.986,1097 2.706,1098 8.93,1099 23.849,1100 3.796,1101 14.703,1102 18.549,1103 6.955,1104 29.597,1105 14.095,1106 2.524,1107 8.496,1108 25.717,1109 3.37,1110 15.82,1111 20.035,1112 7.417,1113 32.006,1114 15.159,1115 2.263,1116 7.325,1117 27.592,1118 3.162,1119 16.976,1120 21.563,1121 7.981,1122 34.441,1123 16.262,1124 2.044,1125 7.085,1126 29.473,1127 3.091,1128 18.118,1129 23.072,1130 8.469,1131 36.868,1132 17.35,1133 18160,1134 30159,1135 27.046,1136 42.79,1137 59.989,1138 62.283,1139 62.254,1140 59.664,1141 59.69,1142 73.995,1143 11.806,1144 173.108,1145 56.667,1146 5.693,1147 5.673,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 2.972,1153 19.166,1154 5.12,1155 17.129,1156 1.5,1157 1.557,1158 1.556,1159 1.492,1160 1.492,1161 1.85,1162 0.295,1163 4.328,1164 1.417,1165 4.14,1166 4.192,1167 4.116,1168 3.982,1169 7.432,1170 4.008,1171 3.902,1172 3.943,1173 3.845,1174 3.806,1175 7.428,1176 3.811,1177 3.822,1178 3.88,1179 3.733,1180 3.648,1181 5.135,1182 3.657,1183 3.72,1184 3.78,1185 3.612,1186 3.489,1187 4.752,1188 3.508,1189 3.551,1190 3.619,1191 3.475,1192 3.255,1193 4.623,1194 3.3,1195 3.473,1196 3.549,1197 3.358,1198 3.201,1199 4.487,1200 3.233,1201 3.235,1202 3.317,1203 3.154,1204 3.008,1205 4.273,1206 3.031,1207 3.111,1208 3.206,1209 2.929,1210 2.941,1211 4.205,1212 2.91,1213 0.117,1214 0.092,1215 0.173,1216 0.106,1217 0.082,1218 4.693,1219 0.116,1220 3.673,1221 0.043,1222 6.903,1223 0.29,1224 4.237,1225 0.078,1226 3.289,1227 4.638,1228 1.701,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.05,1234 2.104,1235 1.41,1236 2.086,1237 1.85,1238 1.798,1239 2.014,1240 2.027,1241 1.219,1242 2.024,1243 1.777,1244 1.729,1245 1.933,1246 1.964,1247 1.105,1248 1.958,1249 1.587,1250 1.537,1251 1.73,1252 1.821,1253 0.883,1254 1.793,1255 1.425,1256 1.349,1257 1.695,1258 1.742,1259 0.825,1260 1.725,1261 1.417,1262 1.341,1263 1.682,1264 1.703,1265 0.825,1266 1.698,1267 1.233,1268 1.142,1269 1.513,1270 1.544,1271 0.704,1272 1.517,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.688,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.866,1286 6.862,1287 10.533,1289 3.23,1295 5.72,1296 8.015,1297 5.558,1299 0.142,1300 4.05,1305 41.132,1306 109.525,1307 254.022,1308 322.918,1309 338.918,1310 342.918,1311 348.918,1312 62.857,1313 8.504,1314 129.54,1315 129.54,1316 29,1317 12.936,1318 4.248,1319 3.459,1320 54.202,1321 160,1322 198,1323 0.162,1324 250.81,1325 430.87,1326 603.738,1327 58442,1329 25.07,1330 0.696,1331 0.57,1332 25.07,1333 20.529,1334 17.567,1335 0.439,1336 0.305,1337 11.95,1338 16.586,1339 11.722,1340 9.653,1341 17.567,1342 12.209,1343 15.453,1344 0.276,1345 0.158,1346 15.453,1347 8.852,1348 13.75,1349 0.179,1350 0.087,1351 13.75,1352 6.684,1353 11.163,1354 0.109,1355 0.046,1356 11.163,1357 4.691,1358 9.332,1359 0.069,1360 0.025,1361 9.332,1362 3.354,1363 0.253,1364 112.039,1365 0.192,1366 32.774,1367 0.451,1368 192,1369 586.076,1370 218.04,1371 554.529,1372 762.4,1373 522,1374 229,1375 567.413,1376 256.044,1377 565.613,1378 836.02,1379 533,1380 6.827}
{0 CHEMBL558486,1 1.643,2 14.054,3 1.448,4 2.097,5 136.449,6 7.372,7 0.39,8 4.35,9 4.48,10 3.91,11 3.776,12 5.416,13 3.785,14 4.933,15 5.126,16 4.272,17 4.177,18 5.999,19 4.16,20 5.162,21 5.391,22 4.343,23 4.338,24 6.137,25 4.296,26 5.232,27 5.462,28 4.347,29 4.364,30 6.289,31 4.32,32 5.194,33 5.412,34 4.315,35 4.386,36 6.221,37 4.329,38 5.199,39 5.43,40 4.309,41 4.397,42 6.144,43 4.324,44 5.188,45 5.422,46 4.282,47 4.378,48 6.147,49 4.302,50 5.188,51 5.42,52 4.233,53 4.387,54 6.167,55 4.282,56 0.113,57 1.08,58 14.857,59 5.508,60 8.947,61 7.898,62 0.794,63 1.683,64 30.532,65 8.892,66 51.16,67 13.424,68 0.663,69 2.008,70 39.419,71 10.954,72 50.711,73 17.399,74 0.93,75 2.069,76 43.236,77 11.625,78 86.17,79 17.788,80 0.774,81 2.05,82 40.674,83 11.973,84 81.126,85 18.124,86 0.709,87 2.105,88 40.48,89 12.232,90 53.082,91 19.042,92 0.768,93 2.037,94 40.252,95 12.018,96 57.104,97 18.869,98 0.688,99 1.982,100 39.968,101 14.341,102 65.645,103 20.887,104 27,105 57,106 0.258,107 0.596,108 0.779,109 0.823,110 0.823,111 0.823,112 3.642,113 0.924,114 -3.7,115 -3.66,116 -3.49,119 36.2,120 1,121 2,124 1,125 7,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 11,178 2,179 1,180 3,183 5,186 2,187 6,192 2,195 2,198 6,199 15,204 4,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 6,236 5,237 3,245 6,249 6,250 5,253 4,255 1,258 5,263 6,266 1,275 2867,276 25.532,277 25.532,278 25.532,279 25.532,280 25.532,281 23.514,282 35.308,283 15.138,284 26.407,285 20.155,286 20.155,287 20.155,288 20.155,289 20.155,290 16.818,291 45.818,292 7.04,293 21.384,294 4.465,295 2.309,296 1.141,297 0.862,298 0.862,299 0.862,300 4.349,306 1122,307 3.873,310 89.357,311 447.503,314 160.206,318 2.067,319 39.247,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 82,331 520,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.545,343 6.331,344 3.838,345 2.888,346 3.796,347 1.656,348 9.601,349 2.762,350 4.015,351 3.377,352 6.107,353 3.748,354 2.783,355 3.37,356 0.86,357 8.93,358 2.664,359 3.91,360 3.028,361 6.011,362 3.631,363 2.706,364 3.163,365 0.8,366 8.496,367 2.493,368 3.819,369 2.822,370 5.562,371 3.492,372 2.532,373 3.091,374 0.655,375 7.351,376 2.423,377 3.474,378 2.549,379 5.47,380 3.22,381 2.264,382 2.704,383 0.247,384 7.087,385 2.15,386 3.403,387 2.397,388 4.822,389 3.055,390 2.075,391 2.499,392 0.13,393 5.493,394 2.023,395 2.996,396 2.302,397 4.786,398 2.721,399 1.795,400 2.168,402 4.931,403 1.656,404 2.96,405 2.075,406 4.418,407 2.448,408 1.501,409 2.048,411 4.275,412 1.418,413 2.701,414 1.536,415 4.24,416 2.394,417 1.475,418 1.723,420 3.713,421 1.339,422 2.5,423 1.528,424 3.96,425 2.11,426 1.221,427 1.5,428 2.975,429 1.077,430 2.495,431 1.51,432 3.76,433 2.03,434 1.081,435 1.487,436 2.845,437 1.021,438 2.327,439 1.461,440 3.425,441 2,442 1.006,443 1.299,445 2.275,446 1,447 2.122,448 1.256,449 3.414,450 1.984,451 1,452 1.076,454 2.275,455 0.983,456 2,457 1.111,458 3.414,459 1.973,460 1,461 1,463 2.136,464 0.967,465 17.033,466 0.46,467 0.777,468 0.021,469 44.25,470 1.196,471 18,472 0.486,473 26.25,474 0.709,475 36.235,476 0.979,477 41.767,478 0.605,479 37.959,480 1.026,481 8.745,482 0.236,483 9.323,484 0.252,485 0.098,487 0.335,493 0.809,494 1.673,495 0.775,496 1.331,497 0.571,498 1.081,499 0.905,500 1.094,501 0.895,502 0.914,503 0.555,504 0.902,505 0.968,506 1.187,507 0.915,508 0.973,509 0.781,510 0.926,511 1.223,512 0.939,513 1.063,514 0.882,515 1.376,516 0.924,517 1.133,518 1.104,519 1.075,520 0.996,521 1.306,522 1.017,523 0.774,524 1.122,525 1.013,526 1.071,527 0.682,528 1.075,529 0.727,530 1.059,531 1.009,532 1.041,533 0.504,534 1.058,535 0.486,536 1,537 0.962,538 1.235,539 0.46,540 1.204,541 6.5,542 0.368,543 4.444,544 2.035,545 1.685,546 1.587,547 1.054,548 0.53,549 0.359,550 0.357,551 20716,552 57085,553 2.116,554 46.4,556 22,558 1,559 2,561 3,562 4,564 1.785,565 2,566 3.705,567 0.243,573 113.392,574 1.643,575 3.8,576 4.968,577 5.246,578 5.246,579 5.246,580 3.199,581 4.757,582 5.169,583 3.899,584 2596.81,585 9.131,586 41975.2,591 421.488,592 1.338,593 5.15,594 0.159,595 0.009,596 0.078,597 0.033,598 0.028,599 0.027,600 0.018,601 0.009,602 0.007,603 0.008,604 0.377,605 0.33,606 0.63,607 1.224,608 203.048,609 -0.028,610 -0.351,611 0.078,612 -0.176,613 -0.006,614 -0.051,615 0.122,616 0.061,617 0.055,618 0.095,619 0.126,620 0.06,621 -0.09,622 -0.105,623 0.04,624 0.021,625 -0.01,626 0.054,627 -0.167,628 0.123,629 -0.079,630 0.076,631 -0.154,632 0.025,633 -0.176,634 -0.026,635 -0.121,636 0.022,637 -0.2,638 -0.031,639 -0.025,640 -0.021,641 -0.082,642 -0.054,643 -0.057,644 -0.076,645 0.026,646 0.033,647 -0.075,648 -0.029,649 0.025,650 -0.059,651 0.191,652 0.054,653 -0.045,654 -0.159,655 0.146,656 -0.156,657 1.965,658 4.928,659 0.73,660 50.172,661 1.011,662 1.142,663 2.465,664 6.077,665 0.638,666 3.738,667 4.06,668 4.369,669 4.654,670 4.927,671 5.118,672 5.371,673 5.565,674 5.73,675 5.914,676 7.964,677 0.614,678 508.65,679 3.738,680 5.283,681 6.146,682 7.031,683 7.915,684 8.812,685 9.709,686 10.613,687 11.518,688 12.429,689 11.6,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 69,733 18,734 1,735 41,737 73,738 25,739 11,740 2,741 4,746 5,747 6,751 1,752 1,755 3,758 3,761 13,762 12,766 2,771 2,775 2,781 32,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 2,848 37,854 9,855 2,856 2,858 1,859 2,870 5.8,873 2,874 1,875 1,877 18.5,878 12.867,879 8.278,880 4.354,881 3.182,882 1.372,883 0.974,884 8.08,885 11.743,886 3.951,887 4.508,888 5.098,889 5.704,890 6.274,891 6.736,892 7.267,893 7.747,894 8.115,895 8.545,896 0.9,897 61,898 13.722,900 5.829,901 7.748,902 26.304,904 21.604,905 2.248,906 83.167,910 353.133,911 117.368,912 94.281,914 72.29,917 117.368,918 425.423,919 94.281,920 19.708,921 63.928,922 37.905,923 125.01,924 35.791,925 13.366,926 341.362,928 353.133,929 211.649,930 72.29,933 273.063,934 143.687,935 11,937 85.293,938 73.794,939 50.234,941 353.133,942 166.57,943 117.368,946 353.133,947 50.707,948 74.686,949 36.022,950 122.524,951 353.133,952 166.57,953 117.368,955 0.574,956 0.341,957 0.184,958 0.099,959 27,960 12,961 0.082,962 6,963 1,964 1.074,965 4.671,966 369.261,967 0.074,968 27,969 178.75,974 25.704,975 11.63,976 5.663,977 1.67,978 164.794,979 9.331,980 14.64,984 2.955,985 1.976,986 36.022,987 637.071,988 51,993 23.793,997 -0.544,999 69.727,1000 78.806,1001 0.269,1002 0.622,1003 0.813,1004 0.859,1005 0.859,1006 0.859,1007 5.204,1008 1.795,1009 6.125,1010 5.493,1011 4.745,1012 5.196,1013 2.857,1014 6.95,1015 4.636,1016 6.384,1017 1.501,1018 7.689,1019 4.931,1020 4.29,1021 5.017,1022 2.2,1023 7.881,1024 4.143,1025 7.686,1026 1.475,1027 9.356,1028 4.275,1029 6.347,1030 7.365,1031 3.824,1032 11.003,1033 6.134,1034 9.026,1035 1.221,1036 11.083,1037 3.713,1038 6.746,1039 8.079,1040 3.876,1041 12.788,1042 6.49,1043 10.403,1044 1.081,1045 12.851,1046 2.975,1047 8.242,1048 9.908,1049 5.122,1050 15.427,1051 7.928,1052 11.806,1053 1.006,1054 14.646,1055 2.845,1056 9.033,1057 11.041,1058 5.498,1059 17.566,1060 8.67,1061 13.229,1062 1,1063 16.462,1064 2.275,1065 10.307,1066 12.676,1067 6.553,1068 20.052,1069 9.891,1070 3.289,1071 1,1072 18.293,1073 2.275,1074 11.285,1075 14.014,1076 7.101,1077 22.351,1078 10.818,1079 2.888,1080 11.617,1081 20.135,1082 2.136,1083 12.474,1084 15.575,1085 8.048,1086 24.792,1087 11.955,1088 2.783,1089 9.601,1090 21.988,1091 4.638,1092 13.544,1093 17.013,1094 8.696,1095 27.165,1096 12.973,1097 2.706,1098 8.93,1099 23.85,1100 3.796,1101 14.705,1102 18.549,1103 9.58,1104 29.598,1105 14.082,1106 2.532,1107 8.496,1108 25.718,1109 3.37,1110 15.821,1111 20.035,1112 10.287,1113 32.006,1114 15.146,1115 2.264,1116 7.351,1117 27.593,1118 3.163,1119 16.977,1120 21.563,1121 11.134,1122 34.441,1123 16.251,1124 2.075,1125 7.087,1126 29.473,1127 3.091,1128 18.119,1129 23.072,1130 11.875,1131 36.868,1132 17.339,1133 19792,1134 32977,1135 27.739,1136 44,1137 61.502,1138 63.641,1139 63.433,1140 60.998,1141 61.014,1142 75.326,1143 13.112,1144 175.676,1145 57.703,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.473,1156 1.5,1157 1.552,1158 1.547,1159 1.488,1160 1.488,1161 1.837,1162 0.32,1163 4.285,1164 1.407,1165 4.14,1166 4.192,1167 4.116,1168 3.982,1169 7.434,1170 4.008,1171 3.903,1172 3.942,1173 3.846,1174 3.806,1175 7.43,1176 3.811,1177 3.818,1178 3.873,1179 3.728,1180 3.644,1181 5.135,1182 3.653,1183 3.718,1184 3.776,1185 3.61,1186 3.489,1187 4.752,1188 3.507,1189 3.613,1190 3.685,1191 3.512,1192 3.375,1193 4.623,1194 3.39,1195 3.427,1196 3.458,1197 3.339,1198 3.127,1199 4.521,1200 3.176,1201 3.294,1202 3.359,1203 3.18,1204 3.065,1205 4.475,1206 3.09,1207 3.16,1208 3.231,1209 3.041,1210 2.941,1211 4.22,1212 2.91,1213 0.114,1214 0.092,1215 0.168,1216 0.103,1217 0.08,1218 4.693,1219 0.113,1220 3.761,1221 0.054,1222 6.903,1223 0.283,1224 4.237,1225 0.076,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.848,1238 1.797,1239 2.013,1240 2.024,1241 1.219,1242 2.021,1243 1.777,1244 1.728,1245 1.933,1246 1.966,1247 1.106,1248 1.959,1249 1.589,1250 1.538,1251 1.844,1252 1.837,1253 0.989,1254 1.832,1255 1.549,1256 1.473,1257 1.718,1258 1.772,1259 0.881,1260 1.764,1261 1.339,1262 1.291,1263 1.602,1264 1.67,1265 0.825,1266 1.632,1267 1.212,1268 1.15,1269 1.513,1270 1.522,1271 0.825,1272 1.505,1273 1.16,1274 1.088,1275 1.513,1276 1.46,1277 0.63,1278 1.441,1279 4.419,1281 5.74,1282 2.398,1283 7.263,1284 4.727,1285 8.877,1286 6.862,1287 10.541,1289 3.277,1295 6.045,1296 5.536,1297 10.438,1299 0.113,1300 3.937,1305 42.352,1306 113.392,1307 262.173,1308 342.759,1309 361.978,1310 361.978,1311 361.978,1312 66.337,1313 8.561,1314 126.74,1315 126.74,1316 29,1317 12.945,1318 4.248,1319 3.459,1320 56.533,1321 171,1322 223,1323 0.158,1324 257.605,1325 445.96,1326 620.316,1327 63263,1329 25.777,1330 0.697,1331 0.571,1332 25.777,1333 21.144,1334 18.067,1335 0.441,1336 0.308,1337 12.361,1338 17.023,1339 12.138,1340 9.993,1341 18.067,1342 12.632,1343 15.833,1344 0.278,1345 0.159,1346 15.833,1347 9.047,1348 13.834,1349 0.177,1350 0.086,1351 13.834,1352 6.726,1353 11.607,1354 0.112,1355 0.046,1356 11.607,1357 4.784,1358 9.381,1359 0.068,1360 0.024,1361 9.381,1362 3.345,1363 0.248,1364 115.494,1365 0.19,1366 33.613,1367 0.437,1368 196,1369 619.479,1370 224.029,1371 579.753,1372 793.88,1373 546,1374 233,1375 586.832,1376 261.537,1377 584.188,1378 863.6,1379 549,1380 6.31}
{0 CHEMBL558752,1 1.859,2 15.514,3 6.607,4 43.648,5 120.68,6 9.782,7 0.659,8 4.14,9 4.241,10 3.906,11 3.631,12 5.441,13 3.695,14 4.683,15 4.815,16 4.421,17 3.997,18 6.599,19 4.072,20 4.805,21 4.965,22 4.34,23 4.068,24 6.253,25 4.114,26 4.895,27 5.085,28 4.275,29 4.037,30 6.334,31 4.074,32 4.791,33 4.996,34 4.103,35 4.001,36 6.06,37 3.997,38 4.741,39 4.935,40 4.143,41 4.003,42 6.101,43 3.988,44 4.747,45 4.941,46 4.074,47 3.937,48 6.053,49 3.946,50 4.679,51 4.874,52 4.136,53 3.832,54 6.21,55 3.859,56 0.433,57 1.298,58 4.994,59 4.463,60 58,61 3.926,62 1.625,63 2.602,64 13.283,65 7.528,66 256.909,67 6.634,68 1.126,69 2.085,70 15.851,71 8.278,72 96.766,73 8.136,74 1.547,75 2.154,76 21.864,77 9.137,78 163.102,79 8.751,80 1.325,81 1.796,82 22.163,83 9.058,84 161.056,85 9.772,86 1.088,87 1.738,88 18.796,89 8.595,90 93.831,91 10.334,92 1.274,93 1.818,94 20.869,95 9.059,96 151.43,97 9.427,98 1.392,99 1.646,100 18.967,101 7.413,102 127.495,103 8.361,104 54,105 62,106 0.303,107 0.633,108 0.765,109 0.865,110 0.865,111 0.865,112 3.642,113 0.779,114 -4.97,115 -4.87,116 -4.57,119 45.3,124 1,132 2,142 9,143 1,144 3,145 1,146 3,151 1,152 1,161 1,162 1,172 5,174 1,175 8,178 3,180 2,183 6,186 1,187 5,190 1,192 3,195 3,198 2,199 5,204 3,207 4,211 2,212 5,215 1,217 2,220 2,224 6,227 1,232 4,237 5,242 2,245 6,249 1,250 3,255 3,258 4,262 2,263 2,266 1,271 1,275 2716,276 24.01,277 24.01,278 24.01,279 24.01,280 24.01,281 20.926,282 25.984,283 13.55,284 25.018,285 20.258,286 20.258,287 20.258,288 20.258,289 20.258,290 15.539,291 34.25,292 6.477,293 22.116,294 3.869,295 1.842,296 1.034,297 0.42,298 0.42,299 0.42,300 4.34,305 1,306 1245,307 4.416,310 199.753,311 366.296,314 165.703,318 2.662,319 69.66,322 0.75,323 0.83,324 0.83,325 0.3,327 0.83,328 1,329 0.65,330 87,331 574,332 4.63,333 4.461,334 7.121,335 4.188,336 3.334,337 4.586,338 3.825,339 11.714,340 2.998,341 4.5,342 4.46,343 7.111,344 4.173,345 3.314,346 4.058,347 3.825,348 11.657,349 2.892,350 4.438,351 3.274,352 6.694,353 4.124,354 3.188,355 3.836,356 0.86,357 10.796,358 2.872,359 4.19,360 3.073,361 6.171,362 3.808,363 2.874,364 3.644,365 0.4,366 9.192,367 2.645,368 3.923,369 2.824,370 5.703,371 3.536,372 2.603,373 3.34,375 7.873,376 2.417,377 3.798,378 2.66,379 5.498,380 3.403,381 2.468,382 3.148,384 7.351,385 2.279,386 3.615,387 2.352,388 5.256,389 3.15,390 2.206,391 2.992,393 6.508,394 2.067,395 3.269,396 2.1,397 5.002,398 2.816,399 1.891,400 2.533,402 5.764,403 1.738,404 3.149,405 1.957,406 4.764,407 2.647,408 1.725,409 2.443,411 5.08,412 1.593,413 3.08,414 1.814,415 4.677,416 2.605,417 1.669,418 2.285,420 4.872,421 1.525,422 2.895,423 1.697,424 4.561,425 2.465,426 1.538,427 2.008,428 4.585,429 1.388,430 2.695,431 1.345,432 4.067,433 2.179,434 1.243,435 1.78,436 3.148,437 1.157,438 2.5,439 1.024,440 3.58,441 2,442 1,443 1.5,445 2.443,446 1,447 2.379,448 1.002,449 3.479,450 1.868,451 0.932,452 1.328,454 2.275,455 0.864,456 2.248,457 1,458 3.414,459 1.816,460 0.866,461 1.158,463 2.167,464 0.82,465 16.448,466 0.445,467 1.375,468 0.037,469 50.75,470 1.372,471 25,472 0.676,473 25.75,474 0.696,475 28.591,476 0.773,477 40.552,478 0.765,479 46.425,480 1.255,481 10.476,482 0.283,483 6.993,484 0.189,485 0.135,486 0.061,487 0.328,490 6,493 0.64,494 0.992,495 0.548,496 1.029,497 0.615,498 0.848,499 0.472,500 0.706,501 0.574,502 0.901,503 0.351,504 0.851,505 0.705,506 0.837,507 0.843,508 1.046,509 0.505,510 1.053,511 0.981,512 0.909,513 1.155,514 1.001,515 0.9,516 1.111,517 0.792,518 0.758,519 1.037,520 0.888,521 0.759,522 1.027,523 0.408,524 0.564,525 0.767,526 0.971,527 0.358,528 1.09,529 0.889,530 0.891,531 1.015,532 1.021,533 0.773,534 1.083,535 0.571,536 0.683,537 0.832,538 0.883,539 0.642,540 0.988,541 11,542 0.288,543 4.889,544 3.104,545 2.003,546 1.518,547 0.83,548 0.687,549 0.521,550 0.445,551 23805,552 101580,553 2.054,554 30.2,556 12,557 1,558 1,559 2,564 1.776,565 1.881,566 3.885,567 0.269,573 98.521,574 1.859,575 3.886,576 4.694,577 5.308,578 5.308,579 5.308,580 3.357,581 4.736,582 5.178,583 4.124,584 2746.75,585 9.084,586 46955.7,591 303.58,592 1.718,593 5.11,594 0.268,595 0.008,596 0.079,597 0.053,598 0.038,599 0.032,600 0.017,601 0.015,602 0.012,603 0.011,604 0.533,605 0.17,606 0.75,607 0.823,608 207.618,609 -0.073,610 -0.13,611 0.012,612 -0.074,613 -0.112,614 -0.004,615 0.385,616 0.29,617 0.171,618 0.053,619 0.476,620 -0.007,621 -0.032,622 -0.074,623 -0.043,624 -0.131,625 0.05,626 -0.118,627 -0.127,628 -0.043,629 -0.213,630 -0.064,631 -0.103,632 -0.137,633 -0.066,634 0.011,635 -0.068,636 0.076,637 -0.092,638 0.045,639 0.186,640 0.112,641 0.146,642 -0.015,643 0.137,644 -0.004,645 -0.115,646 -0.115,647 -0.032,648 -0.032,649 -0.076,650 0.002,651 0.241,652 0.13,653 0.143,654 0.058,655 0.098,656 0.03,657 5.832,658 4.842,659 0.703,660 49.779,661 1.058,662 1.161,663 3.738,664 13.971,665 0.683,666 3.738,667 4.143,668 4.369,669 4.615,670 4.828,671 4.977,672 5.1,673 5.263,674 5.38,675 5.537,676 9.177,677 0.705,678 518.46,679 3.738,680 5.333,681 6.188,682 7.094,683 7.967,684 8.87,685 9.749,686 10.651,687 11.534,688 12.436,689 11.3,697 3,699 3,703 2,704 11,705 3,706 1,709 8,710 1,711 27,724 1,729 1,731 53,733 27,734 2,735 41,737 57,738 24,739 21,740 5,741 7,746 5,747 6,752 2,757 2,761 21,762 3,779 6,781 16,782 11,783 2,784 13,787 2,790 6,794 0.8,795 1,805 1,811 2,812 3,815 1,840 4,844 1,846 6,848 37,855 1,856 1,860 2,869 6,870 1.9,875 1,877 19.667,878 9.99,879 7.611,880 2.88,881 5.031,882 1.574,883 1.04,884 6.186,885 13.795,886 4.016,887 4.696,888 5.293,889 5.905,890 6.422,891 6.783,892 7.215,893 7.676,894 8.027,895 8.484,896 1,897 59,898 14.567,900 7.298,901 8.491,902 24.38,904 20.04,905 2.991,906 110.667,910 164.795,911 157.754,912 87.052,914 11,915 89.761,917 157.754,918 175.795,919 176.813,920 8.396,922 94.334,923 64.456,924 172.489,925 13.915,926 141.253,927 15.519,928 164.795,929 244.806,930 100.761,933 164.795,934 100.761,937 73.146,938 121.303,939 50.357,941 254.556,942 98.052,943 157.754,946 180.314,947 30.458,948 113.677,949 34.796,950 151.117,951 164.795,952 187.813,953 157.754,955 0.61,956 0.337,957 0.166,958 0.089,959 32,960 15,961 0.088,962 5,963 1,964 1.077,965 4.726,966 359.01,967 0.077,968 26,969 179.24,974 24.82,975 9.222,976 5.313,977 1.275,978 169.128,979 14.794,980 12.061,981 2.459,984 -0.163,985 1.733,986 34.796,987 510.362,988 54.5,999 56.083,1000 61.559,1001 0.325,1002 0.678,1003 0.82,1004 0.927,1005 0.927,1006 0.927,1007 5.297,1008 1.891,1009 6.252,1010 6.508,1011 4.828,1012 5.384,1013 3.749,1014 7.132,1015 4.66,1016 6.564,1017 1.725,1018 7.869,1019 5.764,1020 4.745,1021 5.352,1022 4.586,1023 8.37,1024 4.369,1025 7.914,1026 1.669,1027 9.595,1028 5.08,1029 6.569,1030 7.656,1031 6.114,1032 11.355,1033 6.208,1034 9.298,1035 1.538,1036 11.385,1037 4.872,1038 7.238,1039 8.385,1040 7.382,1041 13.352,1042 6.661,1043 10.709,1044 1.243,1045 13.216,1046 4.585,1047 8.63,1048 10.213,1049 8.751,1050 15.949,1051 8.036,1052 12.141,1053 1,1054 15.075,1055 3.148,1056 9.599,1057 11.309,1058 10.082,1059 18.224,1060 8.815,1061 13.587,1062 0.932,1063 16.954,1064 2.443,1065 10.848,1066 12.937,1067 11.427,1068 20.709,1069 10.007,1070 3.334,1071 0.866,1072 18.848,1073 2.275,1074 11.941,1075 14.225,1076 12.767,1077 23.087,1078 10.938,1079 3.314,1080 11.714,1081 20.754,1082 2.167,1083 13.142,1084 15.768,1085 14.11,1086 25.54,1087 12.054,1088 3.188,1089 11.657,1090 22.669,1091 4.586,1092 14.287,1093 17.157,1094 15.451,1095 27.957,1096 13.056,1097 2.874,1098 10.796,1099 24.591,1100 4.058,1101 15.474,1102 18.666,1103 16.793,1104 30.403,1105 14.142,1106 2.603,1107 9.192,1108 26.52,1109 3.836,1110 16.642,1111 20.109,1112 18.134,1113 32.837,1114 15.179,1115 2.468,1116 7.873,1117 28.452,1118 3.644,1119 17.826,1120 21.609,1121 19.476,1122 35.282,1123 16.254,1124 2.206,1125 7.351,1126 30.389,1127 3.34,1128 19.005,1129 23.081,1130 20.818,1131 37.724,1132 17.308,1133 22456,1134 46668,1135 26.641,1136 36.205,1137 64.499,1138 62.57,1139 63.997,1140 63.718,1141 63.294,1142 83.578,1143 17.821,1144 194.842,1145 57.953,1146 5.411,1147 6.461,1148 6.668,1149 5.281,1150 5.334,1151 7.586,1152 5.335,1153 18.803,1154 4.998,1155 22.93,1156 1.573,1157 1.526,1158 1.561,1159 1.554,1160 1.544,1161 2.038,1162 0.435,1163 4.752,1164 1.413,1165 4.133,1166 4.174,1167 4.105,1168 4,1169 8.517,1170 4.02,1171 3.993,1172 4.044,1173 3.969,1174 3.84,1175 8.509,1176 3.855,1177 3.918,1178 3.946,1179 3.879,1180 3.828,1181 7.999,1182 3.842,1183 3.75,1184 3.789,1185 3.716,1186 3.579,1187 7.999,1188 3.607,1189 3.478,1190 3.53,1191 3.438,1192 3.285,1193 7.999,1194 3.31,1195 3.317,1196 3.37,1197 3.311,1198 3.028,1199 7.999,1200 3.078,1201 3.248,1202 3.307,1203 3.256,1204 2.893,1205 5.092,1206 2.956,1207 3.028,1208 3.117,1209 2.886,1210 2.831,1211 4.997,1212 2.831,1213 0.113,1214 0.109,1215 0.174,1216 0.102,1217 0.081,1218 4.63,1219 0.112,1220 4.461,1221 0.093,1222 7.121,1223 0.286,1224 4.188,1225 0.073,1226 3.334,1227 4.586,1228 3.825,1229 11.714,1230 2.998,1231 1.926,1232 1.904,1233 2.009,1234 2.047,1235 1.136,1236 2.035,1237 1.904,1238 1.878,1239 1.996,1240 2.014,1241 1.097,1242 2.007,1243 1.812,1244 1.778,1245 1.898,1246 1.947,1247 0.956,1248 1.935,1249 1.502,1250 1.457,1251 1.686,1252 1.76,1253 0.754,1254 1.734,1255 1.497,1256 1.427,1257 1.602,1258 1.748,1259 0.64,1260 1.697,1261 1.287,1262 1.229,1263 1.368,1264 1.566,1265 0.394,1266 1.511,1267 1.136,1268 1.084,1269 1.311,1270 1.456,1271 0.357,1272 1.394,1273 0.989,1274 0.936,1275 1.181,1276 1.254,1277 0.218,1278 1.222,1279 4.419,1281 5.802,1282 3.045,1283 7.352,1284 5.416,1285 8.971,1286 7.535,1287 10.627,1289 1.746,1291 76.921,1296 2.993,1297 5.855,1301 -9.006,1305 37.357,1306 98.521,1307 205.977,1308 248.786,1309 281.315,1310 281.315,1311 281.315,1312 82.394,1313 8.764,1314 80.65,1315 80.65,1316 28,1317 12.96,1318 4.807,1319 3.858,1320 57.142,1321 206,1322 182,1323 0.134,1324 220.842,1325 386.99,1326 530.615,1327 95195,1328 11.3,1329 26.372,1330 0.713,1331 0.509,1332 21.372,1333 18.816,1334 17.469,1335 0.426,1336 0.26,1337 10.358,1338 16.34,1339 10.267,1340 8.401,1341 15.047,1342 10.649,1343 17.942,1344 0.289,1345 0.128,1346 14.026,1347 7.956,1348 13.736,1349 0.176,1350 0.069,1351 11.838,1352 5.399,1353 11.196,1354 0.112,1355 0.036,1356 9.944,1357 3.565,1358 8.793,1359 0.071,1360 0.019,1361 8.087,1362 2.301,1363 0.218,1364 112.888,1365 0.194,1366 34.306,1367 0.349,1368 206,1369 1013.65,1370 256.481,1371 814.754,1372 1064.34,1373 754,1374 243,1375 758.766,1376 282.163,1377 724.807,1378 1103.63,1379 680,1380 5}
{0 CHEMBL558955,1 1.646,2 17.302,3 2.071,4 4.291,5 158.295,6 7.62,7 0.458,8 4.466,9 4.586,10 4.051,11 3.925,12 5.573,13 3.936,14 5.028,15 5.202,16 4.415,17 4.33,18 6.133,19 4.316,20 5.268,21 5.48,22 4.489,23 4.491,24 6.288,25 4.449,26 5.362,27 5.59,28 4.474,29 4.499,30 6.436,31 4.45,32 5.311,33 5.531,34 4.441,35 4.488,36 6.368,37 4.436,38 5.283,39 5.508,40 4.43,41 4.485,42 6.287,43 4.425,44 5.263,45 5.486,46 4.425,47 4.489,48 6.269,49 4.427,50 5.29,51 5.502,52 4.398,53 4.523,54 6.384,55 4.43,56 0.152,57 1.204,58 15.655,59 6.421,60 15.055,61 8.488,62 0.828,63 1.913,64 31.709,65 10.478,66 57.355,67 14.512,68 0.685,69 2.331,70 41.845,71 13.173,72 57.674,73 19.331,74 1.009,75 2.412,76 48.336,77 14.096,78 100.158,79 20.395,80 0.876,81 2.314,82 45.331,83 13.89,84 97.816,85 20.036,86 0.876,87 2.338,88 43.321,89 13.256,90 70.986,91 19.668,92 0.834,93 2.282,94 42.135,95 13.374,96 65.354,97 19.775,98 0.901,99 2.28,100 42.755,101 15.982,102 101.809,103 22.354,104 22,105 67,106 0.251,107 0.609,108 0.763,109 0.81,110 0.822,111 0.826,112 3.788,113 0.895,114 -4.03,115 -3.98,116 -3.77,119 39,121 2,124 1,125 7,127 1,142 8,143 3,144 2,145 1,147 1,149 1,159 2,161 1,166 1,172 8,174 6,175 11,178 2,179 1,180 5,183 9,186 2,187 6,192 6,195 4,198 6,199 16,204 8,207 3,211 2,212 10,217 4,220 2,223 3,224 13,227 2,228 1,229 2,232 8,236 5,237 3,245 12,249 6,250 5,253 5,254 1,255 1,258 12,263 6,266 1,271 4,275 4572,276 29.703,277 29.703,278 29.703,279 29.703,280 29.703,281 26.961,282 41.605,283 17.425,284 30.556,285 23.583,286 23.583,287 23.583,288 23.583,289 23.583,290 19.162,291 56.212,292 8.145,293 24.842,294 4.621,295 2.268,296 1.257,297 0.945,298 0.867,299 0.841,300 4.502,306 1633,307 4,310 111.265,311 710.078,314 197.874,318 2.463,319 47.481,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 95,331 744,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.187,342 3.562,343 6.331,344 3.839,345 2.889,346 3.797,347 1.656,348 9.601,349 2.764,350 4.065,351 3.377,352 6.107,353 3.755,354 2.791,355 3.647,356 0.86,357 8.931,358 2.67,359 4.01,360 3.028,361 6.011,362 3.673,363 2.709,364 3.369,365 0.8,366 8.496,367 2.63,368 3.91,369 2.828,370 5.598,371 3.63,372 2.692,373 3.164,374 0.765,375 7.71,376 2.492,377 3.808,378 2.803,379 5.561,380 3.464,381 2.493,382 3.091,383 0.655,384 7.165,385 2.41,386 3.562,387 2.551,388 5.407,389 3.231,390 2.273,391 2.867,392 0.247,393 7.074,394 2.17,395 3.409,396 2.419,397 5.159,398 3.179,399 2.209,400 2.507,401 0.13,402 6.421,403 2.132,404 3.268,405 2.344,406 4.789,407 2.835,408 1.841,409 2.481,411 4.993,412 1.819,413 2.996,414 2.3,415 4.64,416 2.72,417 1.792,418 2.15,420 4.93,421 1.655,422 2.95,423 2.075,424 4.399,425 2.432,426 1.486,427 2.047,428 4.224,429 1.404,430 2.701,431 1.535,432 4.24,433 2.393,434 1.466,435 1.722,436 3.712,437 1.339,438 2.5,439 1.528,440 3.96,441 2.108,442 1.219,443 1.5,445 2.975,446 1.075,447 2.5,448 1.461,449 3.759,450 2.019,451 1.071,452 1.5,454 2.843,455 1.011,456 2.494,457 1.256,458 3.424,459 2,460 1,461 1.485,463 2.275,464 1,465 19.867,466 0.462,467 0.913,468 0.021,469 54.5,470 1.267,471 24.5,472 0.57,473 30,474 0.698,475 40.992,476 0.953,477 47.333,478 0.615,479 48.733,480 1.133,481 10.914,482 0.254,483 10.102,484 0.235,485 0.076,487 0.337,493 0.842,494 1.513,495 0.76,496 1.206,497 0.664,498 1,499 0.911,500 1.086,501 0.907,502 0.921,503 0.633,504 0.915,505 0.91,506 1.235,507 0.948,508 1.051,509 0.714,510 1.001,511 1.129,512 0.977,513 1.05,514 0.932,515 1.177,516 0.958,517 1.097,518 1.098,519 1.026,520 0.971,521 1.212,522 0.978,523 0.849,524 1.052,525 1.025,526 0.978,527 0.802,528 1.012,529 0.763,530 1.02,531 0.992,532 0.983,533 0.572,534 1.006,535 0.534,536 0.976,537 1.014,538 1.199,539 0.562,540 1.208,541 8,542 0.368,543 4.889,544 2.285,545 2.067,546 1.823,547 1.236,548 0.542,549 0.42,550 0.459,551 34719,552 96873,553 2.14,554 44.2,556 26,558 1,559 3,562 4,564 1.818,565 2.031,566 3.981,567 0.779,573 126.752,574 1.646,575 3.999,576 5.01,577 5.322,578 5.4,579 5.426,580 3.487,581 5.008,582 5.388,583 4.193,584 3786.73,585 9.546,586 70665.6,591 482.543,592 1.301,593 5.371,594 0.167,595 0.008,596 0.073,597 0.032,598 0.03,599 0.027,600 0.019,601 0.008,602 0.007,603 0.009,604 0.379,605 0.33,606 0.63,607 0.777,608 250.059,609 -0.054,610 -0.254,611 0.061,612 -0.106,613 -0.044,614 -0.018,615 0.08,616 0.063,617 0.012,618 0.084,619 0.066,620 0.033,621 -0.083,622 -0.147,623 -0.014,624 -0.057,625 -0.002,626 -0.025,627 -0.135,628 0.064,629 -0.067,630 0.019,631 -0.108,632 -0.005,633 -0.146,634 -0.062,635 -0.06,636 0.014,637 -0.148,638 -0.002,639 -0.041,640 0.036,641 -0.081,642 -0.007,643 -0.067,644 -0.043,645 0.005,646 0.067,647 -0.059,648 0.008,649 0.011,650 -0.024,651 0.202,652 0.072,653 -0.095,654 -0.151,655 0.179,656 -0.184,657 2.043,658 5.54,659 0.767,660 67.558,661 1.012,662 1.135,663 2.797,664 7.821,665 0.652,666 3.892,667 4.22,668 4.522,669 4.796,670 5.069,671 5.231,672 5.468,673 5.645,674 5.805,675 6.001,676 9.579,677 0.631,678 586.72,679 3.892,680 5.442,681 6.304,682 7.186,683 8.066,684 8.957,685 9.846,686 10.744,687 11.641,688 12.544,689 10.4,695 1,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 77,733 24,734 2,735 48,737 82,738 30,739 17,740 4,741 8,746 6,747 7,751 1,752 1,755 3,758 3,761 19,762 11,766 2,771 2,775 2,781 34,782 12,783 3,784 13,790 8,794 0.833,795 5,796 1,803 1,806 1,811 1,812 5,815 1,837 1,838 1,839 1,840 5,844 1,848 43,853 1,854 9,855 2,856 2,858 1,859 2,870 6.5,871 1,873 2,874 1,875 1,877 21.167,878 13.9,879 9.528,880 4.572,881 4.118,882 1.452,883 0.977,884 9.046,885 13.227,886 4.127,887 4.703,888 5.288,889 5.883,890 6.449,891 6.843,892 7.345,893 7.804,894 8.164,895 8.608,896 0.917,897 71,898 15.941,900 6.851,901 7.791,902 30.383,904 25.156,905 2.291,906 98.5,910 364.904,911 150.284,912 94.281,914 114.973,917 150.284,918 479.877,919 94.281,920 10.883,921 61.822,922 118.493,923 125.01,924 41.734,925 13.366,926 353.133,928 364.904,929 244.565,930 114.973,933 320.148,934 108.374,935 53.683,937 74.362,938 117.641,939 50.234,941 364.904,942 209.254,943 150.284,946 364.904,947 54.544,948 103.766,949 36.022,950 165.207,951 364.904,952 209.254,953 150.284,955 0.578,956 0.344,957 0.183,958 0.1,959 32,960 14,961 0.085,962 7,963 1,964 1.061,965 5.245,966 449.435,967 0.061,968 33,969 217.329,974 29.324,975 13.265,976 6.601,977 1.625,978 207.477,979 16.197,980 14.7,984 4.181,985 1.965,986 78.705,987 724.442,988 61,993 24.531,997 -0.686,999 77.938,1000 87.431,1001 0.263,1002 0.638,1003 0.799,1004 0.849,1005 0.862,1006 0.866,1007 5.378,1008 2.209,1009 6.282,1010 7.074,1011 4.905,1012 5.391,1013 2.922,1014 7.096,1015 4.808,1016 6.564,1017 1.841,1018 7.84,1019 6.421,1020 4.443,1021 5.182,1022 2.2,1023 7.997,1024 4.31,1025 7.866,1026 1.792,1027 9.497,1028 4.993,1029 6.503,1030 7.563,1031 3.839,1032 11.103,1033 6.312,1034 9.203,1035 1.486,1036 11.212,1037 4.93,1038 6.878,1039 8.219,1040 3.876,1041 12.855,1042 6.643,1043 10.574,1044 1.466,1045 12.967,1046 4.224,1047 8.377,1048 10.075,1049 5.124,1050 15.483,1051 8.091,1052 11.969,1053 1.219,1054 14.749,1055 3.712,1056 9.142,1057 11.151,1058 5.498,1059 17.602,1060 8.804,1061 13.383,1062 1.071,1063 16.552,1064 2.975,1065 10.416,1066 12.799,1067 6.553,1068 20.08,1069 10.03,1070 3.289,1071 1,1072 18.371,1073 2.843,1074 11.373,1075 14.095,1076 7.101,1077 22.369,1078 10.932,1079 2.889,1080 11.617,1081 20.203,1082 2.275,1083 12.558,1084 15.659,1085 8.048,1086 24.805,1087 12.069,1088 2.791,1089 9.601,1090 22.046,1091 4.638,1092 13.613,1093 17.07,1094 8.696,1095 27.173,1096 13.068,1097 2.709,1098 8.931,1099 23.899,1100 3.797,1101 14.768,1102 18.603,1103 9.58,1104 29.604,1105 14.173,1106 2.692,1107 8.496,1108 25.76,1109 3.647,1110 15.873,1111 20.072,1112 10.287,1113 32.01,1114 15.222,1115 2.493,1116 7.71,1117 27.628,1118 3.369,1119 17.024,1120 21.597,1121 11.134,1122 34.444,1123 16.321,1124 2.273,1125 7.165,1126 29.503,1127 3.164,1128 18.158,1129 23.097,1130 11.875,1131 36.87,1132 17.399,1133 32373,1134 54219,1135 32.709,1136 50.216,1137 71.916,1138 74.318,1139 73.943,1140 71.474,1141 71.548,1142 90.211,1143 14.642,1144 205.949,1145 68.053,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 19.287,1156 1.498,1157 1.548,1158 1.54,1159 1.489,1160 1.491,1161 1.879,1162 0.305,1163 4.291,1164 1.418,1165 4.142,1166 4.193,1167 4.118,1168 3.986,1169 7.434,1170 4.011,1171 3.942,1172 3.977,1173 3.886,1174 3.855,1175 7.43,1176 3.857,1177 3.887,1178 3.925,1179 3.824,1180 3.803,1181 6.457,1182 3.805,1183 3.814,1184 3.865,1185 3.724,1186 3.643,1187 5.135,1188 3.651,1189 3.715,1190 3.771,1191 3.608,1192 3.487,1193 4.76,1194 3.505,1195 3.473,1196 3.517,1197 3.422,1198 3.205,1199 4.716,1200 3.251,1201 3.416,1202 3.445,1203 3.327,1204 3.114,1205 4.623,1206 3.165,1207 3.238,1208 3.3,1209 3.152,1210 3.024,1211 4.519,1212 3.044,1213 0.098,1214 0.078,1215 0.144,1216 0.088,1217 0.069,1218 4.693,1219 0.097,1220 3.761,1221 0.046,1222 6.903,1223 0.242,1224 4.237,1225 0.065,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.957,1232 1.925,1233 2.05,1234 2.104,1235 1.409,1236 2.085,1237 1.909,1238 1.881,1239 2.026,1240 2.03,1241 1.219,1242 2.028,1243 1.846,1244 1.796,1245 2.008,1246 2.009,1247 1.139,1248 2.009,1249 1.775,1250 1.728,1251 1.932,1252 1.952,1253 1.104,1254 1.952,1255 1.584,1256 1.535,1257 1.719,1258 1.8,1259 0.881,1260 1.776,1261 1.339,1262 1.291,1263 1.602,1264 1.672,1265 0.825,1266 1.632,1267 1.322,1268 1.278,1269 1.513,1270 1.608,1271 0.825,1272 1.573,1273 1.199,1274 1.126,1275 1.513,1276 1.521,1277 0.63,1278 1.504,1279 4.575,1281 5.9,1282 2.398,1283 7.424,1284 4.727,1285 9.033,1286 6.862,1287 10.689,1289 1.401,1294 9.203,1295 5.278,1296 5.629,1297 10.473,1299 0.087,1300 3.917,1305 48.594,1306 126.752,1307 307.906,1308 385.788,1309 409.788,1310 415.788,1311 417.788,1312 79.895,1313 9.109,1314 146.97,1315 146.97,1316 35,1317 13.066,1318 4.644,1319 3.807,1320 63.896,1321 238,1322 317,1323 0.125,1324 293.387,1325 510.07,1326 707.625,1327 135932,1329 29.761,1330 0.692,1331 0.556,1332 29.761,1333 23.901,1334 21.017,1335 0.438,1336 0.298,1337 14.023,1338 19.905,1339 13.795,1340 11.327,1341 21.017,1342 14.312,1343 18.575,1344 0.277,1345 0.157,1346 18.575,1347 10.496,1348 16.332,1349 0.179,1350 0.086,1351 16.332,1352 7.783,1353 13.537,1354 0.113,1355 0.045,1356 13.537,1357 5.435,1358 11.143,1359 0.071,1360 0.024,1361 11.143,1362 3.834,1363 0.2,1364 133.852,1365 0.175,1366 38.447,1367 0.332,1368 230,1369 719.628,1370 259.802,1371 678.062,1372 926.32,1373 638,1374 273,1375 678.911,1376 303.365,1377 680.539,1378 1003.08,1379 639,1380 8.222}
{0 CHEMBL561103,1 1.595,2 14.846,3 2.277,4 5.183,5 146.312,6 7.446,7 0.5,8 4.382,9 4.507,10 3.962,11 3.857,12 5.441,13 3.859,14 4.957,15 5.143,16 4.315,17 4.261,18 5.99,19 4.24,20 5.188,21 5.407,22 4.366,23 4.424,24 6.121,25 4.364,26 5.284,27 5.538,28 4.349,29 4.452,30 6.211,31 4.372,32 5.241,33 5.473,34 4.375,35 4.473,36 6.173,37 4.399,38 5.254,39 5.479,40 4.368,41 4.478,42 6.184,43 4.405,44 5.258,45 5.498,46 4.296,47 4.454,48 6.147,49 4.364,50 5.235,51 5.475,52 4.238,53 4.449,54 6.127,55 4.329,56 0.069,57 1.13,58 14.821,59 5.961,60 10.111,61 8.14,62 0.642,63 1.807,64 30.272,65 9.504,66 45.816,67 13.608,68 0.517,69 2.191,70 39.108,71 12.402,72 43.878,73 18.525,74 0.737,75 2.313,76 45.111,77 13.598,78 64.25,79 20.586,80 0.52,81 2.243,82 41.928,83 13.981,84 55.286,85 20.666,86 0.576,87 2.328,88 41.865,89 13.169,90 51.533,91 19.608,92 0.668,93 2.27,94 42.9,95 13.163,96 53.689,97 20.102,98 0.64,99 2.164,100 41.729,101 15.219,102 60.179,103 22.162,104 8,105 61,106 0.247,107 0.595,108 0.78,109 0.833,110 0.833,111 0.833,112 3.693,113 0.908,114 -4.06,115 -4.01,116 -3.79,119 39.4,121 2,124 1,125 7,127 1,142 6,143 3,144 1,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 4,175 14,178 2,180 2,183 6,186 2,187 8,192 2,195 2,198 7,199 13,204 1,207 5,211 2,212 10,220 4,223 1,224 16,227 2,232 6,236 3,237 5,245 4,249 7,250 6,253 2,255 1,258 5,262 1,263 8,266 1,271 1,275 3465,276 27.179,277 27.179,278 27.179,279 27.179,280 27.179,281 24.539,282 34.764,283 16.212,284 28.035,285 21.728,286 21.728,287 21.728,288 21.728,289 21.728,290 17.63,291 48.185,292 7.717,293 22.988,294 4.554,295 2.305,296 1.113,297 0.771,298 0.771,299 0.771,300 4.413,306 1279,307 3.391,310 93.346,311 610.729,314 168.331,318 2.304,319 32.258,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 85,331 579,332 4.693,333 3.642,334 6.903,335 4.237,336 3.288,337 4.638,338 2.186,339 11.616,340 3.12,341 4.184,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.758,350 4,351 3.077,352 6.107,353 3.731,354 2.771,355 3.457,356 0.86,357 8.93,358 2.649,359 3.929,360 2.948,361 5.637,362 3.601,363 2.649,364 3.367,365 0.8,366 7.742,367 2.531,368 3.815,369 2.819,370 5.517,371 3.473,372 2.524,373 3.16,374 0.366,375 7.324,376 2.385,377 3.526,378 2.539,379 5.464,380 3.312,381 2.352,382 2.689,383 0.172,384 7.105,385 2.242,386 3.453,387 2.418,388 5.044,389 3.051,390 2.112,391 2.605,393 6.052,394 1.973,395 3.256,396 2.345,397 4.784,398 2.995,399 2.036,400 2.345,402 5.327,403 1.932,404 2.966,405 2.12,406 4.743,407 2.651,408 1.734,409 2.165,411 4.819,412 1.587,413 2.933,414 1.58,415 4.412,416 2.438,417 1.488,418 2.042,420 4.248,421 1.408,422 2.816,423 1.535,424 4.083,425 2.384,426 1.427,427 1.906,428 3.225,429 1.362,430 2.529,431 1.487,432 3.76,433 2.151,434 1.251,435 1.54,436 2.992,437 1.119,438 2.5,439 1.461,440 3.587,441 2.042,442 1.097,443 1.5,445 2.881,446 1.032,447 2.5,448 1.256,449 3.425,450 2,451 1,452 1.5,454 2.275,455 1,456 2.387,457 1.118,458 3.414,459 1.984,460 1,461 1.376,463 2.275,464 0.983,465 18.2,466 0.467,467 0.756,468 0.019,469 50,470 1.282,471 22.5,472 0.577,473 27.5,474 0.705,475 36.608,476 0.939,477 42.4,478 0.597,479 41.091,480 1.054,481 9.894,482 0.254,483 9.281,484 0.238,485 0.046,487 0.313,493 0.818,494 1.553,495 0.757,496 1.242,497 0.597,498 1.026,499 1.088,500 1.09,501 0.946,502 0.893,503 0.655,504 0.891,505 0.953,506 1.238,507 0.991,508 1.056,509 0.724,510 1.028,511 0.869,512 0.869,513 0.971,514 0.875,515 0.961,516 0.915,517 0.824,518 1.089,519 0.912,520 1.004,521 0.884,522 0.973,523 0.982,524 1.132,525 1.111,526 1.083,527 0.892,528 1.099,529 0.862,530 1.044,531 1.104,532 1.029,533 0.674,534 1.075,535 0.478,536 0.972,537 0.999,538 1.162,539 0.468,540 1.17,541 6.5,542 0.305,543 3.778,544 1.847,545 1.796,546 1.448,547 1.052,548 0.541,549 0.338,550 0.327,551 25955,552 67492,553 2.187,554 45.1,556 24,558 3,559 1,562 4,564 1.797,565 2.108,566 3.794,567 -0.332,573 113.271,574 1.595,575 3.845,576 5.037,577 5.379,578 5.379,579 5.379,580 3.321,581 4.875,582 5.245,583 3.997,584 2961.87,585 9.277,586 50260.2,591 436.632,592 1.154,593 5.243,594 0.148,595 0.007,596 0.062,597 0.029,598 0.029,599 0.023,600 0.017,601 0.009,602 0.006,603 0.007,604 0.337,605 0.33,606 0.63,607 0.762,608 218.386,609 0.003,610 -0.307,611 0.088,612 -0.153,613 0.029,614 -0.041,615 0.029,616 0.048,617 0.001,618 0.092,619 0.111,620 0.046,621 -0.081,622 -0.165,623 -0.045,624 -0.064,625 0.014,626 -0.053,627 -0.024,628 0.168,629 0.005,630 0.077,631 -0.034,632 0.053,633 -0.022,634 -0.058,635 0.036,636 0.008,637 -0.039,638 0.029,639 -0.13,640 -0.046,641 -0.166,642 -0.105,643 -0.138,644 -0.134,645 -0.063,646 0.017,647 -0.151,648 -0.058,649 -0.081,650 -0.102,651 0.192,652 0.037,653 -0.064,654 -0.129,655 0.137,656 -0.143,657 2.176,658 4.583,659 0.846,660 56.947,661 1.006,662 1.135,663 2.828,664 7.995,665 0.656,666 3.807,667 4.127,668 4.431,669 4.727,670 5.017,671 5.165,672 5.416,673 5.631,674 5.799,675 5.976,676 8.472,677 0.629,678 528.68,679 3.807,680 5.352,681 6.213,682 7.094,683 7.975,684 8.868,685 9.76,686 10.661,687 11.561,688 12.468,689 11.3,692 1,695 1,696 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,727 1,731 71,733 23,734 1,735 44,737 76,738 28,739 16,740 2,741 4,746 6,747 7,755 3,758 3,761 17,762 11,766 1,771 1,775 1,781 32,782 10,783 1,784 11,790 8,794 0.833,795 3,803 1,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 39,854 9,855 1,856 2,858 1,859 2,870 4.2,873 1,874 1,875 1,877 18.5,878 12.983,879 8.583,880 4.322,881 3.89,882 1.436,883 0.998,884 7.794,885 12.822,886 4.043,887 4.618,888 5.212,889 5.825,890 6.398,891 6.783,892 7.298,893 7.774,894 8.136,895 8.56,896 1,897 63,898 14.424,900 6.14,901 7.62,902 27.993,904 23.301,905 2.12,906 82.667,910 364.904,911 144.5,912 93.056,914 47.145,917 144.5,918 412.049,919 93.056,920 10.883,921 42.793,922 56.857,923 140.193,924 60.196,925 9.09,926 329.591,928 364.904,929 237.555,930 47.145,933 320.148,934 83.229,935 11,937 76.552,938 91.656,939 67.02,941 364.904,942 140.2,943 144.5,946 364.904,947 49.617,948 102.908,949 18.011,950 114.164,951 364.904,952 140.2,953 144.5,955 0.575,956 0.337,957 0.183,958 0.104,959 30,960 12,961 0.092,962 7,963 1,964 1.061,965 4.959,966 400.288,967 0.061,968 33,969 194.131,974 25.841,975 11.764,976 5.798,977 1.811,978 138.424,979 17.251,980 19.117,984 4.254,985 2.096,986 18.011,987 649.604,988 56,993 11.583,997 -0.509,999 71.4,1000 80.597,1001 0.259,1002 0.625,1003 0.819,1004 0.875,1005 0.875,1006 0.875,1007 5.286,1008 2.036,1009 6.18,1010 6.052,1011 4.812,1012 5.306,1013 2.601,1014 6.987,1015 4.707,1016 6.463,1017 1.734,1018 7.728,1019 5.327,1020 4.29,1021 5.027,1022 1.905,1023 7.867,1024 4.146,1025 7.757,1026 1.488,1027 9.377,1028 4.819,1029 6.395,1030 7.474,1031 3.564,1032 10.998,1033 6.193,1034 9.087,1035 1.427,1036 11.088,1037 4.248,1038 6.735,1039 8.098,1040 3.612,1041 12.757,1042 6.49,1043 10.454,1044 1.251,1045 12.842,1046 3.225,1047 8.263,1048 9.996,1049 4.918,1050 15.401,1051 7.968,1052 11.848,1053 1.097,1054 14.625,1055 2.992,1056 9.012,1057 11.066,1058 5.292,1059 17.535,1060 8.669,1061 13.263,1062 1,1063 16.431,1064 2.881,1065 10.305,1066 12.737,1067 6.389,1068 20.026,1069 9.912,1070 3.288,1071 1,1072 18.254,1073 2.275,1074 11.26,1075 14.037,1076 6.931,1077 22.326,1078 10.816,1079 2.868,1080 11.616,1081 20.092,1082 2.275,1083 12.457,1084 15.614,1085 7.902,1086 24.771,1087 11.964,1088 2.771,1089 9.594,1090 21.941,1091 4.638,1092 13.516,1093 17.031,1094 8.539,1095 27.147,1096 12.97,1097 2.649,1098 8.93,1099 23.801,1100 3.796,1101 14.681,1102 18.572,1103 9.436,1104 29.583,1105 14.084,1106 2.524,1107 7.742,1108 25.669,1109 3.457,1110 15.793,1111 20.047,1112 10.13,1113 31.995,1114 15.142,1115 2.352,1116 7.324,1117 27.544,1118 3.367,1119 16.952,1120 21.577,1121 10.981,1122 34.432,1123 16.248,1124 2.112,1125 7.105,1126 29.425,1127 3.16,1128 18.093,1129 23.08,1130 11.71,1131 36.861,1132 17.334,1133 23995,1134 38873,1135 30.512,1136 46.546,1137 65.772,1138 67.194,1139 66.863,1140 65.527,1141 65.581,1142 83.017,1143 10.603,1144 186.865,1145 62.102,1146 5.693,1147 5.642,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 3.889,1153 19.165,1154 5.12,1155 12.876,1156 1.495,1157 1.527,1158 1.52,1159 1.489,1160 1.49,1161 1.887,1162 0.241,1163 4.247,1164 1.411,1165 4.142,1166 4.194,1167 4.117,1168 3.985,1169 7.435,1170 4.01,1171 3.915,1172 3.963,1173 3.847,1174 3.813,1175 5.136,1176 3.816,1177 3.889,1178 3.926,1179 3.832,1180 3.782,1181 4.896,1182 3.789,1183 3.776,1184 3.834,1185 3.672,1186 3.615,1187 4.756,1188 3.617,1189 3.689,1190 3.747,1191 3.575,1192 3.482,1193 4.624,1194 3.497,1195 3.495,1196 3.518,1197 3.437,1198 3.181,1199 4.528,1200 3.238,1201 3.275,1202 3.347,1203 3.2,1204 3.048,1205 4.45,1206 3.066,1207 3.147,1208 3.221,1209 3.023,1210 2.96,1211 4.264,1212 2.973,1213 0.107,1214 0.083,1215 0.157,1216 0.096,1217 0.075,1218 4.693,1219 0.105,1220 3.642,1221 0.05,1222 6.903,1223 0.264,1224 4.237,1225 0.071,1226 3.288,1227 4.638,1228 2.186,1229 11.616,1230 3.12,1231 1.956,1232 1.924,1233 2.068,1234 2.106,1235 1.425,1236 2.093,1237 1.891,1238 1.845,1239 2.022,1240 2.044,1241 1.22,1242 2.041,1243 1.81,1244 1.77,1245 1.942,1246 1.961,1247 1.106,1248 1.957,1249 1.761,1250 1.709,1251 1.929,1252 1.938,1253 1.071,1254 1.939,1255 1.582,1256 1.533,1257 1.719,1258 1.793,1259 0.877,1260 1.772,1261 1.32,1262 1.287,1263 1.605,1264 1.654,1265 0.825,1266 1.625,1267 1.302,1268 1.222,1269 1.513,1270 1.597,1271 0.825,1272 1.564,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.679,1278 1.429,1279 4.489,1281 5.808,1282 2.398,1283 7.328,1284 4.727,1285 8.937,1286 6.862,1287 10.593,1289 1.341,1295 7.754,1296 2.684,1297 10.288,1299 0.263,1300 4.732,1305 44.637,1306 113.271,1307 272.976,1308 357.612,1309 381.877,1310 381.877,1311 381.877,1312 57.064,1313 8.932,1314 110.53,1315 110.53,1316 35,1317 12.987,1318 4.585,1319 3.7,1320 55.017,1321 189,1322 229,1323 0.136,1324 269.137,1325 460.53,1326 648.455,1327 105252,1329 26.606,1330 0.682,1331 0.564,1332 26.606,1333 21.993,1334 19.174,1335 0.436,1336 0.303,1337 13.066,1338 18.195,1339 12.833,1340 10.544,1341 19.174,1342 13.324,1343 16.913,1344 0.277,1345 0.162,1346 16.913,1347 9.859,1348 14.767,1349 0.178,1350 0.089,1351 14.767,1352 7.351,1353 12.434,1354 0.111,1355 0.047,1356 12.434,1357 5.267,1358 10.609,1359 0.071,1360 0.026,1361 10.609,1362 3.836,1363 0.214,1364 121.641,1365 0.181,1366 35.297,1367 0.37,1368 210,1369 617.055,1370 234.983,1371 585.725,1372 810.61,1373 554,1374 249,1375 602.914,1376 275.378,1377 606.188,1378 891.99,1379 569,1380 6.096}
{0 CHEMBL561708,1 1.681,2 13.278,3 1.747,4 3.051,5 129.751,6 7.625,7 0.4,8 4.302,9 4.42,10 3.891,11 3.721,12 5.4,13 3.743,14 4.884,15 5.064,16 4.255,17 4.12,18 5.994,19 4.12,20 5.083,21 5.292,22 4.325,23 4.291,24 6.09,25 4.26,26 5.193,27 5.417,28 4.317,29 4.324,30 6.261,31 4.286,32 5.147,33 5.359,34 4.295,35 4.344,36 6.165,37 4.293,38 5.15,39 5.371,40 4.281,41 4.344,42 6.12,43 4.281,44 5.139,45 5.374,46 4.248,47 4.316,48 6.107,49 4.248,50 5.121,51 5.343,52 4.214,53 4.325,54 6.132,55 4.233,56 0.146,57 1.006,58 13.289,59 5.304,60 10.136,61 7.169,62 0.951,63 1.573,64 28.559,65 8.361,66 59.771,67 12.034,68 0.67,69 1.904,70 34.857,71 10.402,72 46.478,73 15.767,74 1.036,75 1.993,76 40.971,77 11.153,78 92.982,79 16.455,80 0.808,81 1.95,82 38.021,83 11.838,84 75.985,85 17.272,86 0.792,87 2.007,88 37.633,89 11.561,90 55.858,91 17.441,92 0.842,93 1.936,94 37.99,95 11.22,96 59.077,97 17.417,98 0.775,99 1.86,100 36.588,101 13.229,102 66.413,103 19.019,104 26,105 56,106 0.267,107 0.595,108 0.756,109 0.795,110 0.8,111 0.815,112 3.616,113 0.895,114 -3.49,115 -3.46,116 -3.31,119 36.9,121 2,124 2,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 7,175 11,178 2,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 16,204 1,207 3,211 2,212 10,220 2,223 3,224 13,227 2,232 4,236 5,237 3,245 4,249 8,250 5,253 2,255 1,258 4,263 6,266 1,275 2646,276 24.825,277 24.825,278 24.825,279 24.825,280 24.825,281 22.807,282 32.924,283 14.538,284 25.787,285 19.617,286 19.617,287 19.617,288 19.617,289 19.617,290 16.257,291 42.582,292 6.756,293 20.915,294 4.341,295 2.272,296 1.254,297 1.008,298 0.977,299 0.885,300 4.323,305 1,306 1033,307 3.742,310 85.39,311 429.936,314 153.375,318 2.006,319 39.873,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 80.5,331 478,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.642,343 6.331,344 3.838,345 2.888,346 3.796,347 2.186,348 9.601,349 2.761,350 4.015,351 3.377,352 6.107,353 3.747,354 2.783,355 3.37,356 0.86,357 8.93,358 2.663,359 3.91,360 3.028,361 6.011,362 3.631,363 2.706,364 3.162,365 0.8,366 8.496,367 2.493,368 3.815,369 2.823,370 5.562,371 3.473,372 2.524,373 3.091,374 0.655,375 7.325,376 2.385,377 3.461,378 2.55,379 5.464,380 3.217,381 2.263,382 2.689,383 0.366,384 7.085,385 2.147,386 3.401,387 2.4,388 4.794,389 3.006,390 2.044,391 2.498,392 0.13,393 5.327,394 1.942,395 2.996,396 2.302,397 4.775,398 2.721,399 1.795,400 2.165,402 4.931,403 1.656,404 2.957,405 2.075,406 4.413,407 2.439,408 1.494,409 2.048,411 4.252,412 1.408,413 2.701,414 1.536,415 4.24,416 2.393,417 1.473,418 1.723,420 3.713,421 1.339,422 2.5,423 1.528,424 3.96,425 2.108,426 1.22,427 1.5,428 2.975,429 1.075,430 2.495,431 1.461,432 3.759,433 2.02,434 1.072,435 1.486,436 2.844,437 1.011,438 2.327,439 1.461,440 3.424,441 2,442 1,443 1.299,445 2.275,446 1,447 2,448 1.256,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.111,458 3.414,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.467,466 0.457,467 0.777,468 0.022,469 43.75,470 1.215,471 18,472 0.5,473 25.75,474 0.715,475 34.027,476 0.945,477 40.533,478 0.624,479 37.666,480 1.046,481 8.835,482 0.245,483 8.732,484 0.243,485 0.101,487 0.346,493 0.807,494 1.671,495 0.734,496 1.355,497 0.566,498 1.073,499 0.936,500 1.035,501 0.885,502 0.823,503 0.56,504 0.838,505 0.876,506 1.277,507 0.912,508 1.05,509 0.684,510 0.985,511 1.162,512 0.895,513 1.092,514 0.862,515 1.372,516 0.931,517 0.975,518 1.11,519 1.008,520 1.01,521 1.038,522 1.012,523 0.778,524 1.147,525 1.041,526 1.088,527 0.694,528 1.106,529 0.68,530 1.035,531 0.983,532 0.998,533 0.489,534 1.026,535 0.462,536 0.999,537 0.946,538 1.213,539 0.443,540 1.197,541 6.5,542 0.368,543 4.444,544 1.91,545 1.685,546 1.587,547 1.054,548 0.514,549 0.338,550 0.357,551 19045,552 56698,553 2.12,554 44.6,556 23,558 1,559 1,562 4,564 1.779,565 2,566 3.641,567 -0.272,573 109.272,574 1.681,575 3.751,576 4.768,577 5.015,578 5.045,579 5.138,580 3.128,581 4.781,582 5.13,583 3.836,584 2416.56,585 9.056,586 38061,591 391.454,592 1.352,593 5.109,594 0.162,595 0.01,596 0.079,597 0.032,598 0.029,599 0.027,600 0.019,601 0.01,602 0.007,603 0.008,604 0.383,605 0.33,606 0.63,607 1.103,608 195.342,609 -0.033,610 -0.375,611 0.083,612 -0.212,613 -0.001,614 -0.067,615 0.111,616 0.101,617 0.056,618 0.173,619 0.137,620 0.105,621 -0.082,622 -0.167,623 0.009,624 -0.041,625 0.014,627 -0.188,628 0.173,629 -0.122,630 0.086,631 -0.193,632 0.013,633 -0.127,634 -0.044,635 -0.074,636 0.015,637 -0.14,638 -0.014,639 -0.048,640 -0.041,641 -0.123,642 -0.083,643 -0.074,644 -0.115,645 0.023,646 0.052,647 -0.055,648 -0.008,649 0.031,650 -0.034,651 0.201,652 0.059,653 -0.038,654 -0.148,655 0.165,656 -0.153,657 2.197,658 4.909,659 0.75,660 46.5,661 1.016,662 1.14,663 2.257,664 5.096,665 0.641,666 3.714,667 4.043,668 4.357,669 4.635,670 4.92,671 5.106,672 5.361,673 5.557,674 5.717,675 5.897,676 7.676,677 0.623,678 495.6,679 3.714,680 5.263,681 6.129,682 7.015,683 7.902,684 8.8,685 9.698,686 10.603,687 11.509,688 12.42,689 10.8,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,727 1,731 65,733 18,734 1,735 40,737 69,738 24,739 11,740 2,741 4,746 5,747 6,755 3,758 3,761 13,762 11,766 2,771 2,775 2,781 29,782 11,783 1,784 12,790 7,794 0.8,795 5,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 2,848 36,854 8,855 1,856 3,858 1,859 2,870 7.7,873 2,874 1,875 2,877 18,878 12.283,879 8.028,880 3.875,881 3.172,882 1.373,883 0.969,884 7.554,885 11.676,886 3.932,887 4.497,888 5.091,889 5.694,890 6.272,891 6.732,892 7.264,893 7.744,894 8.11,895 8.538,896 1,897 60,898 13.328,900 5.671,901 7.796,902 25.39,904 20.812,905 2.296,906 82.667,910 329.591,911 119.807,912 76.27,914 83.29,917 119.807,918 412.88,919 76.27,920 21.766,921 43.812,922 37.905,923 125.01,924 46.791,925 15.853,926 317.82,928 329.591,929 196.077,930 83.29,933 284.834,934 119.374,935 11,937 56.351,938 87.164,939 50.234,941 329.591,942 159.56,943 119.807,946 329.591,947 51.088,948 76.744,949 18.011,950 133.524,951 329.591,952 159.56,953 119.807,955 0.578,956 0.346,957 0.181,958 0.1,959 27,960 12,961 0.087,962 6,963 1,964 1.074,965 4.575,966 358.297,967 0.074,968 27,969 174.117,974 24.746,975 10.989,976 5.289,977 1.648,978 157.783,979 9.137,980 14.574,984 2.827,985 1.965,986 18.011,987 608.957,988 50,993 23.432,997 -0.833,999 66.069,1000 74.102,1001 0.279,1002 0.623,1003 0.792,1004 0.833,1005 0.838,1006 0.853,1007 5.187,1008 1.795,1009 6.111,1010 5.327,1011 4.727,1012 5.185,1013 3.052,1014 6.94,1015 4.611,1016 6.372,1017 1.494,1018 7.68,1019 4.931,1020 4.29,1021 5.017,1022 2.457,1023 7.881,1024 4.133,1025 7.677,1026 1.473,1027 9.349,1028 4.252,1029 6.337,1030 7.361,1031 4.21,1032 10.999,1033 6.113,1034 9.02,1035 1.22,1036 11.079,1037 3.713,1038 6.746,1039 8.079,1040 4.307,1041 12.786,1042 6.477,1043 10.399,1044 1.072,1045 12.848,1046 2.975,1047 8.236,1048 9.907,1049 5.624,1050 15.424,1051 7.911,1052 11.803,1053 1,1054 14.644,1055 2.844,1056 9.031,1057 11.041,1058 6.022,1059 17.565,1060 8.657,1061 13.227,1062 1,1063 16.459,1064 2.275,1065 10.302,1066 12.675,1067 7.116,1068 20.051,1069 9.877,1070 3.289,1071 1,1072 18.291,1073 2.275,1074 11.283,1075 14.014,1076 7.673,1077 22.351,1078 10.806,1079 2.888,1080 11.617,1081 20.134,1082 2.136,1083 12.471,1084 15.575,1085 8.642,1086 24.792,1087 11.944,1088 2.783,1089 9.601,1090 21.987,1091 4.638,1092 13.542,1093 17.013,1094 9.292,1095 27.165,1096 12.963,1097 2.706,1098 8.93,1099 23.849,1100 3.796,1101 14.703,1102 18.549,1103 10.187,1104 29.597,1105 14.074,1106 2.524,1107 8.496,1108 25.717,1109 3.37,1110 15.82,1111 20.035,1112 10.892,1113 32.006,1114 15.139,1115 2.263,1116 7.325,1117 27.592,1118 3.162,1119 16.976,1120 21.563,1121 11.744,1122 34.441,1123 16.244,1124 2.044,1125 7.085,1126 29.473,1127 3.091,1128 18.118,1129 23.072,1130 12.482,1131 36.868,1132 17.334,1133 18160,1134 31453,1135 27.046,1136 41.688,1137 59.989,1138 62.51,1139 62.254,1140 59.583,1141 59.69,1142 73.995,1143 14.411,1144 173.108,1145 56.168,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.129,1156 1.5,1157 1.563,1158 1.556,1159 1.49,1160 1.492,1161 1.85,1162 0.36,1163 4.328,1164 1.404,1165 4.14,1166 4.191,1167 4.116,1168 3.981,1169 7.436,1170 4.007,1171 3.9,1172 3.938,1173 3.844,1174 3.805,1175 7.432,1176 3.81,1177 3.817,1178 3.87,1179 3.727,1180 3.644,1181 5.135,1182 3.652,1183 3.717,1184 3.773,1185 3.609,1186 3.488,1187 4.756,1188 3.506,1189 3.499,1190 3.521,1191 3.445,1192 3.182,1193 4.624,1194 3.241,1195 3.42,1196 3.447,1197 3.329,1198 3.111,1199 4.536,1200 3.162,1201 3.219,1202 3.29,1203 3.139,1204 2.972,1205 4.506,1206 3.001,1207 3.111,1208 3.206,1209 2.915,1210 2.941,1211 4.446,1212 2.91,1213 0.117,1214 0.094,1215 0.173,1216 0.106,1217 0.082,1218 4.693,1219 0.116,1220 3.761,1221 0.055,1222 6.903,1223 0.29,1224 4.237,1225 0.078,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.955,1232 1.923,1233 2.049,1234 2.103,1235 1.409,1236 2.084,1237 1.847,1238 1.797,1239 2.012,1240 2.023,1241 1.219,1242 2.02,1243 1.776,1244 1.728,1245 1.932,1246 1.961,1247 1.105,1248 1.955,1249 1.584,1250 1.536,1251 1.72,1252 1.804,1253 0.881,1254 1.778,1255 1.339,1256 1.291,1257 1.605,1258 1.678,1259 0.825,1260 1.635,1261 1.318,1262 1.286,1263 1.601,1264 1.648,1265 0.825,1266 1.622,1267 1.198,1268 1.121,1269 1.513,1270 1.521,1271 0.63,1272 1.504,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.584,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.866,1286 6.862,1287 10.533,1289 2.724,1295 5.442,1296 2.652,1297 15.075,1299 0.107,1300 3.918,1305 40.519,1306 109.272,1307 243.802,1308 309.944,1309 325.944,1310 327.944,1311 333.944,1312 62.185,1313 8.504,1314 123.94,1315 123.94,1316 29,1317 12.936,1318 4.248,1319 3.459,1320 54.202,1321 160,1322 198,1323 0.162,1324 245.214,1325 426.45,1326 590.083,1327 58442,1329 25.07,1330 0.696,1331 0.565,1332 25.07,1333 20.345,1334 17.567,1335 0.439,1336 0.298,1337 11.641,1338 16.448,1339 11.426,1340 9.39,1341 17.567,1342 11.933,1343 15.453,1344 0.276,1345 0.155,1346 15.453,1347 8.679,1348 13.75,1349 0.179,1350 0.085,1351 13.75,1352 6.562,1353 11.163,1354 0.109,1355 0.045,1356 11.163,1357 4.617,1358 9.332,1359 0.069,1360 0.024,1361 9.332,1362 3.301,1363 0.253,1364 113.155,1365 0.192,1366 32.774,1367 0.451,1368 192,1369 644.881,1370 221.352,1371 596.942,1372 812.04,1373 562,1374 229,1375 593.687,1376 258.53,1377 591.905,1378 873.3,1379 553,1380 5.989}
{0 CHEMBL561844,1 1.549,2 14.289,3 1.633,4 2.668,5 144.689,6 7.324,7 0.512,8 4.361,9 4.491,10 3.93,11 3.859,12 5.399,13 3.85,14 4.938,15 5.129,16 4.289,17 4.264,18 5.931,19 4.235,20 5.194,21 5.418,22 4.334,23 4.422,24 6.122,25 4.354,26 5.263,27 5.523,28 4.321,29 4.452,30 6.145,31 4.361,32 5.225,33 5.458,34 4.343,35 4.476,36 6.145,37 4.39,38 5.257,39 5.494,40 4.336,41 4.468,42 6.161,43 4.384,44 5.226,45 5.468,46 4.272,47 4.427,48 6.11,49 4.338,50 5.196,51 5.43,52 4.212,53 4.435,54 6.087,55 4.316,56 0.04,57 1.125,58 14.849,59 5.921,60 9.592,61 8.247,62 0.386,63 1.817,64 29.634,65 9.543,66 33.27,67 13.883,68 0.513,69 2.199,70 40.09,71 12.364,72 50.986,73 18.516,74 0.595,75 2.307,76 44.121,77 13.853,78 51.556,79 21.11,80 0.397,81 2.25,82 41.077,83 14.016,84 51.45,85 20.841,86 0.488,87 2.328,88 42.757,89 13.368,90 50.536,91 20.206,92 0.603,93 2.219,94 41.91,95 12.664,96 51.143,97 19.421,98 0.47,99 2.139,100 39.805,101 14.674,102 53.197,103 21.317,104 7,105 60,106 0.24,107 0.588,108 0.776,109 0.83,110 0.83,111 0.83,112 3.668,113 0.922,114 -4.38,115 -4.31,116 -4.06,119 40,120 1,121 2,125 7,127 1,142 6,143 3,144 1,145 3,147 1,149 1,158 1,161 1,166 1,172 6,174 3,175 15,178 1,180 3,183 6,186 2,187 8,192 2,195 2,198 7,199 11,204 1,207 7,211 2,212 8,220 6,223 1,224 15,227 2,232 7,236 3,237 5,245 4,249 5,250 8,253 2,255 1,258 5,262 1,263 8,266 1,271 1,275 3200,276 26.308,277 26.308,278 26.308,279 26.308,280 26.308,281 23.617,282 33.846,283 15.737,284 26.959,285 21.317,286 21.317,287 21.317,288 21.317,289 21.317,290 17.223,291 47.849,292 7.573,293 22.379,294 4.58,295 2.338,296 1.129,297 0.782,298 0.782,299 0.782,300 4.388,305 1,306 1204,307 3.24,310 89.451,311 588.857,314 161.645,318 2.215,319 29.973,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 82,331 543,332 4.693,333 3.533,334 6.903,335 4.237,336 3.288,337 4.638,338 1.907,339 11.616,340 3.12,341 4.183,342 3.38,343 6.329,344 3.823,345 2.867,346 3.796,347 0.916,348 9.594,349 2.759,350 3.999,351 3.077,352 6.107,353 3.73,354 2.769,355 3.457,356 0.86,357 8.93,358 2.65,359 3.929,360 2.948,361 5.637,362 3.601,363 2.649,364 3.366,365 0.8,366 7.742,367 2.531,368 3.792,369 2.817,370 5.517,371 3.459,372 2.492,373 3.151,374 0.172,375 7.214,376 2.405,377 3.524,378 2.538,379 5.419,380 3.311,381 2.35,382 2.611,383 0.149,384 7.091,385 2.243,386 3.384,387 2.413,388 5.044,389 3.044,390 2.104,391 2.592,393 6.052,394 1.979,395 3.255,396 2.343,397 4.746,398 2.949,399 1.934,400 2.345,402 4.824,403 1.941,404 2.962,405 2.12,406 4.537,407 2.651,408 1.734,409 2.151,411 4.768,412 1.587,413 2.931,414 1.58,415 4.319,416 2.431,417 1.473,418 2.041,420 4.116,421 1.405,422 2.816,423 1.535,424 4.082,425 2.383,426 1.427,427 1.906,428 3.225,429 1.362,430 2.529,431 1.486,432 3.757,433 2.151,434 1.251,435 1.539,436 2.992,437 1.118,438 2.5,439 1.256,440 3.587,441 2.041,442 1.095,443 1.5,445 2.878,446 1.031,447 2.5,448 1.118,449 3.424,450 2,451 1,452 1.5,454 2.275,455 1,456 2.387,457 1.077,458 3.414,459 1.984,460 1,461 1.376,463 2.275,464 0.983,465 17.867,466 0.47,467 0.794,468 0.021,469 49,470 1.289,471 22.5,472 0.592,473 26.5,474 0.697,475 35.988,476 0.947,477 40.933,478 0.585,479 39.096,480 1.029,481 9.524,482 0.251,483 9.112,484 0.24,485 0.047,487 0.319,493 0.793,494 1.515,495 0.774,496 1.202,497 0.589,498 1.017,499 1.134,500 1.162,501 0.937,502 0.961,503 0.667,504 0.922,505 1.192,506 1.169,507 1.057,508 0.998,509 1.039,510 1.005,511 0.766,512 0.867,513 0.925,514 0.877,515 0.632,516 0.903,517 0.809,518 1.119,519 0.947,520 1.05,521 0.903,522 1.019,523 1.008,524 1.102,525 1.082,526 1.054,527 0.874,528 1.062,529 1.008,530 1.014,531 1.11,532 0.983,533 0.696,534 1.032,535 0.586,536 1.035,537 1.055,538 1.206,539 0.515,540 1.202,541 6.5,542 0.296,543 3.556,544 1.847,545 1.796,546 1.448,547 1.031,548 0.513,549 0.338,550 0.327,551 24144,552 59603,553 2.192,554 45.7,556 21,558 3,559 1,560 3,562 4,564 1.791,565 2.111,566 3.747,567 -0.348,573 108.444,574 1.549,575 3.791,576 5,577 5.347,578 5.347,579 5.347,580 3.262,581 4.596,582 5.208,583 3.954,584 2779.45,585 9.203,586 46022.6,591 429.05,592 1.167,593 5.205,594 0.151,595 0.007,596 0.059,597 0.03,598 0.03,599 0.023,600 0.017,601 0.009,602 0.006,603 0.007,604 0.341,605 0.17,606 0.75,607 0.638,608 210.747,609 0.025,610 -0.276,611 0.087,612 -0.123,613 0.024,614 -0.029,615 -0.041,616 -0.021,617 0.011,618 0.025,619 0.064,620 0.023,621 -0.138,622 -0.108,623 -0.085,624 -0.025,625 -0.077,626 -0.047,627 0.042,628 0.162,629 0.05,630 0.083,631 0.037,632 0.072,633 -0.007,634 -0.084,635 0.002,636 -0.038,637 -0.056,638 -0.02,639 -0.102,640 -0.04,641 -0.117,642 -0.086,643 -0.114,644 -0.099,645 -0.074,646 0.043,647 -0.138,648 -0.025,649 -0.077,650 -0.074,651 0.134,652 -0.015,653 -0.118,654 -0.176,655 0.1,656 -0.186,657 1.764,658 4.437,659 0.868,660 53.202,661 1.001,662 1.134,663 3.145,664 9.891,665 0.658,666 3.784,667 4.111,668 4.407,669 4.718,670 5.004,671 5.153,672 5.407,673 5.617,674 5.781,675 5.966,676 8.234,677 0.627,678 512.68,679 3.784,680 5.333,681 6.192,682 7.077,683 7.958,684 8.853,685 9.745,686 10.648,687 11.549,688 12.457,689 11.4,692 1,695 1,696 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 70,733 23,734 1,735 43,737 75,738 28,739 16,740 2,741 4,746 6,747 7,752 1,755 3,758 3,761 17,762 11,766 1,771 1,775 1,781 32,782 9,783 1,784 10,790 8,794 0.833,795 2,803 1,805 1,806 1,811 1,812 5,815 1,826 1,836 1,839 1,840 5,844 1,848 38,854 9,855 1,856 1,858 1,859 2,870 2.9,873 1,874 1,877 18,878 12.817,879 8.25,880 4.364,881 3.877,882 1.437,883 1.007,884 7.323,885 12.753,886 4.025,887 4.608,888 5.195,889 5.822,890 6.393,891 6.778,892 7.293,893 7.767,894 8.126,895 8.554,896 0.9,897 61,898 14.07,900 6.014,901 7.583,902 27.458,904 23.057,905 2.083,906 79.167,910 364.904,911 140.384,912 93.056,914 36.145,917 140.384,918 401.049,919 93.056,920 8.825,921 42.793,922 56.857,923 144.898,924 49.196,925 2.328,926 329.591,928 364.904,929 233.44,930 36.145,933 320.148,934 72.229,935 11,937 85.377,938 78.715,939 67.02,941 364.904,942 129.2,943 140.384,946 364.904,947 47.559,948 100.85,949 18.011,950 103.164,951 364.904,952 129.2,953 140.384,955 0.577,956 0.33,957 0.186,958 0.105,959 30,960 12,961 0.08,962 6,963 1,964 1.061,965 4.876,966 388.444,967 0.061,968 33,969 187.421,974 24.932,975 11.161,976 5.586,977 1.844,978 127.424,979 17.482,980 19.14,984 4.449,985 2.109,986 18.011,987 634.488,988 55,993 11.437,997 -0.097,999 70.072,1000 79.388,1001 0.253,1002 0.619,1003 0.816,1004 0.872,1005 0.872,1006 0.872,1007 5.27,1008 1.934,1009 6.163,1010 6.052,1011 4.796,1012 5.296,1013 2.397,1014 6.973,1015 4.703,1016 6.452,1017 1.734,1018 7.711,1019 4.824,1020 4.29,1021 5.027,1022 1.738,1023 7.854,1024 4.166,1025 7.747,1026 1.473,1027 9.36,1028 4.768,1029 6.378,1030 7.466,1031 3.033,1032 10.987,1033 6.194,1034 9.077,1035 1.427,1036 11.072,1037 4.116,1038 6.723,1039 8.092,1040 3.069,1041 12.749,1042 6.5,1043 10.444,1044 1.251,1045 12.826,1046 3.225,1047 8.249,1048 9.99,1049 4.068,1050 15.395,1051 7.971,1052 11.838,1053 1.095,1054 14.611,1055 2.992,1056 9,1057 11.061,1058 4.417,1059 17.531,1060 8.676,1061 13.253,1062 1,1063 16.418,1064 2.878,1065 10.293,1066 12.734,1067 5.257,1068 20.022,1069 9.917,1070 3.288,1071 1,1072 18.243,1073 2.275,1074 11.25,1075 14.035,1076 5.751,1077 22.324,1078 10.822,1079 2.867,1080 11.616,1081 20.082,1082 2.275,1083 12.448,1084 15.613,1085 6.503,1086 24.77,1087 11.969,1088 2.769,1089 9.594,1090 21.933,1091 4.638,1092 13.509,1093 17.03,1094 7.069,1095 27.146,1096 12.974,1097 2.649,1098 8.93,1099 23.794,1100 3.796,1101 14.674,1102 18.572,1103 7.771,1104 29.583,1105 14.088,1106 2.492,1107 7.742,1108 25.663,1109 3.457,1110 15.788,1111 20.046,1112 8.375,1113 31.994,1114 15.146,1115 2.35,1116 7.214,1117 27.539,1118 3.366,1119 16.947,1120 21.576,1121 9.051,1122 34.432,1123 16.252,1124 2.104,1125 7.091,1126 29.421,1127 3.151,1128 18.089,1129 23.08,1130 9.674,1131 36.861,1132 17.337,1133 22245,1134 35106,1135 29.819,1136 46.091,1137 64.864,1138 65.486,1139 65.176,1140 64.447,1141 64.457,1142 81.934,1143 9.61,1144 184.023,1145 61.494,1146 5.693,1147 5.533,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 3.306,1153 19.165,1154 5.12,1155 12.634,1156 1.508,1157 1.523,1158 1.516,1159 1.499,1160 1.499,1161 1.905,1162 0.223,1163 4.28,1164 1.43,1165 4.142,1166 4.194,1167 4.117,1168 3.985,1169 7.43,1170 4.01,1171 3.916,1172 3.964,1173 3.847,1174 3.814,1175 5.136,1176 3.817,1177 3.891,1178 3.929,1179 3.832,1180 3.783,1181 4.896,1182 3.79,1183 3.776,1184 3.834,1185 3.672,1186 3.615,1187 4.751,1188 3.618,1189 3.689,1190 3.748,1191 3.575,1192 3.482,1193 4.623,1194 3.497,1195 3.525,1196 3.571,1197 3.439,1198 3.301,1199 4.485,1200 3.325,1201 3.272,1202 3.346,1203 3.196,1204 3.057,1205 4.264,1206 3.074,1207 3.132,1208 3.206,1209 3.017,1210 2.967,1211 4.016,1212 2.975,1213 0.109,1214 0.082,1215 0.161,1216 0.099,1217 0.076,1218 4.693,1219 0.108,1220 3.533,1221 0.044,1222 6.903,1223 0.27,1224 4.237,1225 0.073,1226 3.288,1227 4.638,1228 1.907,1229 11.616,1230 3.12,1231 1.957,1232 1.925,1233 2.069,1234 2.107,1235 1.425,1236 2.093,1237 1.892,1238 1.845,1239 2.025,1240 2.044,1241 1.22,1242 2.042,1243 1.811,1244 1.771,1245 1.943,1246 1.964,1247 1.108,1248 1.96,1249 1.761,1250 1.709,1251 1.929,1252 1.938,1253 1.071,1254 1.939,1255 1.585,1256 1.535,1257 1.736,1258 1.799,1259 0.879,1260 1.782,1261 1.44,1262 1.39,1263 1.684,1264 1.673,1265 0.825,1266 1.675,1267 1.304,1268 1.223,1269 1.513,1270 1.597,1271 0.825,1272 1.564,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.716,1278 1.429,1279 4.466,1281 5.79,1282 2.398,1283 7.311,1284 4.727,1285 8.921,1286 6.862,1287 10.58,1289 1.504,1295 7.854,1296 2.819,1297 5.597,1299 0.278,1300 4.751,1305 43.922,1306 108.444,1307 265.393,1308 350.03,1309 374.295,1310 374.295,1311 374.295,1312 55.936,1313 8.875,1314 101.3,1315 101.3,1316 35,1317 12.975,1318 4.585,1319 3.7,1320 52.932,1321 179,1322 219,1323 0.138,1324 265.141,1325 451.74,1326 638.704,1327 97825,1329 25.899,1330 0.682,1331 0.568,1332 25.899,1333 21.584,1334 18.636,1335 0.433,1336 0.307,1337 12.996,1338 17.796,1339 12.74,1340 10.46,1341 18.636,1342 13.211,1343 16.793,1344 0.28,1345 0.165,1346 16.793,1347 9.924,1348 14.139,1349 0.175,1350 0.089,1351 14.139,1352 7.24,1353 12.365,1354 0.111,1355 0.048,1356 12.365,1357 5.301,1358 10.443,1359 0.071,1360 0.026,1361 10.443,1362 3.827,1363 0.217,1364 117.298,1365 0.183,1366 34.509,1367 0.377,1368 206,1369 569.32,1370 227.773,1371 547.664,1372 762.41,1373 518,1374 244,1375 572.369,1376 267.553,1377 575.861,1378 846.73,1379 543,1380 6.394}
{0 CHEMBL561907,1 1.736,2 14.816,3 1.5,4 2.25,5 136.301,6 7.632,7 0.381,8 4.356,9 4.484,10 3.94,11 3.775,12 5.452,13 3.794,14 4.944,15 5.133,16 4.297,17 4.175,18 6.052,19 4.17,20 5.171,21 5.396,22 4.369,23 4.337,24 6.2,25 4.303,26 5.237,27 5.465,28 4.368,29 4.363,30 6.315,31 4.327,32 5.201,33 5.415,34 4.364,35 4.386,36 6.342,37 4.337,38 5.205,39 5.433,40 4.331,41 4.396,42 6.18,43 4.33,44 5.193,45 5.425,46 4.322,47 4.377,48 6.199,49 4.312,50 5.2,51 5.427,52 4.279,53 4.385,54 6.248,55 4.295,56 0.172,57 1.137,58 14.114,59 5.532,60 13.782,61 7.636,62 0.918,63 1.759,64 30.248,65 8.94,66 64.286,67 12.918,68 0.898,69 2.064,70 39.447,71 10.967,72 72.849,73 17.006,74 1.092,75 2.094,76 42.983,77 11.646,78 102.262,79 17.409,80 1.067,81 2.091,82 40.443,83 11.971,84 125.346,85 17.896,86 0.854,87 2.14,88 40.117,89 12.257,90 65.658,91 18.675,92 0.882,93 2.101,94 39.872,95 12.051,96 65.967,97 18.501,98 0.848,99 2.087,100 40.072,101 14.411,102 80.438,103 20.339,104 28,105 58,106 0.272,107 0.61,108 0.785,109 0.829,110 0.829,111 0.829,112 3.668,113 0.907,114 -3.8,115 -3.76,116 -3.57,119 36.2,121 2,124 1,125 8,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 11,178 2,179 1,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 14,204 3,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 4,236 5,237 3,245 4,249 6,250 5,253 4,255 1,258 4,263 6,266 1,275 3102,276 26.239,277 26.239,278 26.239,279 26.239,280 26.239,281 24.221,282 34.45,283 15.662,284 27.144,285 20.655,286 20.655,287 20.655,288 20.655,289 20.655,290 17.318,291 44.462,292 7.333,293 21.984,294 4.372,295 2.221,296 1.101,297 0.823,298 0.823,299 0.823,300 4.375,306 1213,307 4,310 93.386,311 465.448,314 167.163,318 2.184,319 46.866,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 85.5,331 563,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.546,343 6.331,344 3.838,345 2.888,346 3.796,347 1.656,348 9.601,349 2.762,350 4.015,351 3.377,352 6.107,353 3.748,354 2.784,355 3.37,356 0.86,357 8.93,358 2.664,359 3.91,360 3.028,361 6.011,362 3.631,363 2.706,364 3.163,365 0.8,366 8.496,367 2.493,368 3.819,369 2.822,370 5.562,371 3.494,372 2.534,373 3.091,374 0.655,375 7.354,376 2.424,377 3.477,378 2.549,379 5.47,380 3.22,381 2.264,382 2.707,383 0.247,384 7.087,385 2.15,386 3.403,387 2.398,388 4.828,389 3.064,390 2.087,391 2.499,392 0.13,393 5.521,394 2.029,395 2.996,396 2.302,397 4.786,398 2.721,399 1.795,400 2.169,402 4.931,403 1.656,404 2.961,405 2.168,406 4.419,407 2.459,408 1.516,409 2.049,411 4.282,412 1.425,413 2.701,414 2.075,415 4.24,416 2.394,417 1.477,418 1.723,420 3.713,421 1.339,422 2.5,423 1.535,424 3.96,425 2.281,426 1.348,427 1.5,428 2.976,429 1.237,430 2.498,431 1.528,432 3.76,433 2.107,434 1.218,435 1.49,436 2.848,437 1.074,438 2.438,439 1.461,440 3.428,441 2.018,442 1.07,443 1.416,445 2.493,446 1.01,447 2.327,448 1.256,449 3.414,450 2,451 1,452 1.299,454 2.275,455 1,456 2,457 1.22,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 17.319,466 0.456,467 0.777,468 0.02,469 45,470 1.184,471 18,472 0.474,473 27,474 0.711,475 36.887,476 0.971,477 43.281,478 0.627,479 39.765,480 1.046,481 9.087,482 0.239,483 9.48,484 0.249,485 0.084,487 0.329,488 1,493 0.746,494 1.527,495 0.735,496 1.329,497 0.54,498 1.073,499 0.925,500 1.047,501 0.922,502 0.912,503 0.671,504 0.913,505 0.894,506 1.057,507 0.922,508 0.968,509 0.739,510 0.942,511 1.069,512 0.86,513 1.044,514 0.879,515 1.091,516 0.932,517 0.881,518 0.963,519 1.01,520 0.991,521 0.887,522 1.023,523 0.713,524 1.016,525 0.996,526 1.067,527 0.606,528 1.085,529 0.664,530 0.991,531 0.963,532 1.04,533 0.454,534 1.053,535 0.58,536 0.984,537 0.966,538 1.233,539 0.571,540 1.21,541 6.5,542 0.368,543 4.444,544 2.035,545 1.765,546 1.587,547 1.054,548 0.53,549 0.371,550 0.373,551 22551,552 69408,553 2.113,554 44.9,556 24,558 1,559 2,562 4,564 1.791,565 2,566 3.768,567 0.253,573 119.812,574 1.736,575 3.887,576 5.007,577 5.286,578 5.286,579 5.286,580 3.327,581 4.774,582 5.206,583 3.965,584 2787.56,585 9.203,586 46274.7,591 421.488,592 1.324,593 5.189,594 0.155,595 0.009,596 0.077,597 0.033,598 0.029,599 0.026,600 0.018,601 0.009,602 0.007,603 0.008,604 0.37,605 0.33,606 0.63,607 1.341,608 210.903,609 -0.042,610 -0.309,611 0.068,612 -0.176,613 -0.013,614 -0.051,615 0.035,616 0.057,617 0.002,618 0.097,619 0.036,620 0.044,621 -0.073,622 -0.046,623 0.012,624 0.024,625 -0.017,626 0.04,627 -0.16,628 0.093,629 -0.089,630 0.076,631 -0.142,632 0.023,633 -0.043,634 0.015,635 -0.085,636 0.024,637 -0.01,638 -0.031,639 -0.035,640 -0.021,641 -0.091,642 -0.054,643 -0.051,644 -0.081,645 0.019,646 -0.005,647 -0.053,648 -0.031,649 0.039,650 -0.049,651 0.128,652 0.037,653 -0.056,654 -0.158,655 0.094,656 -0.16,657 2.134,658 4.926,659 0.711,660 54.08,661 1.018,662 1.147,663 2.568,664 6.593,665 0.637,666 3.761,667 4.078,668 4.382,669 4.663,670 4.942,671 5.124,672 5.38,673 5.572,674 5.737,675 5.924,676 8.279,677 0.619,678 526.64,679 3.761,680 5.303,681 6.163,682 7.045,683 7.928,684 8.822,685 9.718,686 10.621,687 11.525,688 12.434,689 11.6,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 69,733 18,734 1,735 42,737 73,738 25,739 11,740 2,741 4,744 1,746 5,747 6,751 1,752 1,755 3,758 3,761 13,762 12,766 2,771 2,775 2,779 1,781 31,782 12,783 2,784 13,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 1,846 1,848 38,854 10,855 2,856 2,858 1,859 2,869 1,870 5.8,873 2,874 1,875 1,877 19,878 12.51,879 8.528,880 4.175,881 3.191,882 1.37,883 0.974,884 8.568,885 11.807,886 3.97,887 4.519,888 5.104,889 5.707,890 6.279,891 6.737,892 7.269,893 7.749,894 8.117,895 8.549,896 1,897 62,898 14.114,900 6.033,901 7.886,902 26.767,904 21.982,905 2.386,906 90.667,910 341.362,911 117.013,912 94.281,914 72.29,915 14.96,917 117.013,918 413.652,919 109.241,920 10.883,921 72.398,922 37.905,923 125.01,924 35.791,925 28.326,926 329.591,928 341.362,929 211.293,930 87.25,933 311.566,934 108.374,935 11,937 84.937,938 73.794,939 50.234,941 356.322,942 166.57,943 117.013,946 341.362,947 59.177,948 65.861,949 36.022,950 137.484,951 341.362,952 181.531,953 117.013,955 0.572,956 0.338,957 0.181,958 0.1,959 27,960 12,961 0.082,962 6,963 1,964 1.074,965 4.771,966 379.892,967 0.074,968 27,969 187.421,974 26.601,975 12.24,976 6.033,977 1.606,978 179.754,979 9.007,980 14.559,984 2.701,985 1.949,986 36.022,987 639.905,988 52,993 23.784,997 -0.782,999 70.24,1000 79.146,1001 0.284,1002 0.636,1003 0.82,1004 0.865,1005 0.865,1006 0.865,1007 5.22,1008 1.795,1009 6.138,1010 5.521,1011 4.762,1012 5.207,1013 2.857,1014 6.957,1015 4.649,1016 6.395,1017 1.516,1018 7.698,1019 4.931,1020 4.29,1021 5.017,1022 2.2,1023 7.881,1024 4.143,1025 7.695,1026 1.477,1027 9.362,1028 4.282,1029 6.358,1030 7.369,1031 3.824,1032 11.005,1033 6.142,1034 9.032,1035 1.348,1036 11.087,1037 3.713,1038 6.746,1039 8.079,1040 3.876,1041 12.788,1042 6.49,1043 10.407,1044 1.218,1045 12.854,1046 2.976,1047 8.248,1048 9.909,1049 5.122,1050 15.427,1051 7.932,1052 11.809,1053 1.07,1054 14.648,1055 2.848,1056 9.033,1057 11.041,1058 5.498,1059 17.566,1060 8.67,1061 13.231,1062 1,1063 16.463,1064 2.493,1065 10.31,1066 12.676,1067 6.553,1068 20.053,1069 9.893,1070 3.289,1071 1,1072 18.293,1073 2.275,1074 11.285,1075 14.015,1076 7.101,1077 22.351,1078 10.818,1079 2.888,1080 11.617,1081 20.136,1082 2.275,1083 12.475,1084 15.575,1085 8.048,1086 24.792,1087 11.956,1088 2.784,1089 9.601,1090 21.989,1091 4.638,1092 13.544,1093 17.013,1094 8.696,1095 27.165,1096 12.973,1097 2.706,1098 8.93,1099 23.85,1100 3.796,1101 14.705,1102 18.549,1103 9.58,1104 29.598,1105 14.083,1106 2.534,1107 8.496,1108 25.718,1109 3.37,1110 15.821,1111 20.035,1112 10.287,1113 32.006,1114 15.146,1115 2.264,1116 7.354,1117 27.593,1118 3.163,1119 16.978,1120 21.563,1121 11.134,1122 34.441,1123 16.251,1124 2.087,1125 7.087,1126 29.474,1127 3.091,1128 18.119,1129 23.072,1130 11.875,1131 36.868,1132 17.339,1133 21580,1134 37961,1135 28.433,1136 43.938,1137 62.506,1138 65.578,1139 64.716,1140 62.177,1141 62.268,1142 76.582,1143 13.112,1144 178.286,1145 58.694,1146 5.693,1147 5.761,1148 6.768,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.816,1156 1.488,1157 1.561,1158 1.541,1159 1.48,1160 1.483,1161 1.823,1162 0.312,1163 4.245,1164 1.397,1165 4.14,1166 4.192,1167 4.116,1168 3.982,1169 8.196,1170 4.008,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.434,1176 3.811,1177 3.818,1178 3.873,1179 3.728,1180 3.644,1181 7.43,1182 3.653,1183 3.719,1184 3.776,1185 3.61,1186 3.489,1187 5.135,1188 3.507,1189 3.628,1190 3.696,1191 3.535,1192 3.373,1193 4.752,1194 3.399,1195 3.428,1196 3.459,1197 3.343,1198 3.127,1199 4.623,1200 3.177,1201 3.311,1202 3.369,1203 3.221,1204 3.065,1205 4.521,1206 3.095,1207 3.169,1208 3.238,1209 3.09,1210 2.941,1211 4.475,1212 2.914,1213 0.112,1214 0.09,1215 0.164,1216 0.101,1217 0.078,1218 4.693,1219 0.11,1220 3.761,1221 0.053,1222 6.903,1223 0.277,1224 4.237,1225 0.074,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.848,1238 1.797,1239 2.013,1240 2.024,1241 1.219,1242 2.021,1243 1.777,1244 1.728,1245 1.933,1246 1.966,1247 1.106,1248 1.958,1249 1.588,1250 1.537,1251 1.782,1252 1.838,1253 0.995,1254 1.819,1255 1.534,1256 1.463,1257 1.716,1258 1.773,1259 0.881,1260 1.759,1261 1.339,1262 1.291,1263 1.602,1264 1.67,1265 0.825,1266 1.632,1267 1.209,1268 1.146,1269 1.513,1270 1.522,1271 0.825,1272 1.505,1273 1.153,1274 1.085,1275 1.513,1276 1.463,1277 0.63,1278 1.429,1279 4.443,1281 5.759,1282 2.398,1283 7.277,1284 4.727,1285 8.887,1286 6.862,1287 10.548,1289 1.394,1291 12.305,1295 4.635,1296 5.115,1297 10.415,1299 0.086,1300 3.892,1305 42.735,1306 119.812,1307 268.23,1308 345.514,1309 364.733,1310 364.733,1311 364.733,1312 75.212,1313 8.616,1314 126.74,1315 126.74,1316 29,1317 12.951,1318 4.248,1319 3.459,1320 58.918,1321 183,1322 248,1323 0.155,1324 258.803,1325 452.03,1326 623.239,1327 68375,1328 1.4,1329 26.485,1330 0.697,1331 0.559,1332 25.777,1333 21.229,1334 18.567,1335 0.442,1336 0.302,1337 12.385,1338 17.389,1339 12.224,1340 9.993,1341 18.067,1342 12.692,1343 16.187,1344 0.279,1345 0.157,1346 15.833,1347 9.132,1348 14.103,1349 0.179,1350 0.086,1351 13.834,1352 6.768,1353 11.667,1354 0.111,1355 0.046,1356 11.607,1357 4.784,1358 9.695,1359 0.07,1360 0.024,1361 9.381,1362 3.375,1363 0.243,1364 119.554,1365 0.188,1366 34.465,1367 0.423,1368 200,1369 709.59,1370 230.696,1371 634.898,1372 853.2,1373 598,1374 237,1375 607.499,1376 267.546,1377 601.762,1378 889.48,1379 565,1380 6.297}
{0 CHEMBL562165,1 1.547,2 15.45,3 3.776,4 14.259,5 153.217,6 7.223,7 0.489,8 4.425,9 4.551,10 3.979,11 3.916,12 5.451,13 3.905,14 5.005,15 5.19,16 4.334,17 4.317,18 6.016,19 4.283,20 5.254,21 5.482,22 4.38,23 4.471,24 6.153,25 4.4,26 5.31,27 5.559,28 4.38,29 4.49,30 6.236,31 4.408,32 5.296,33 5.53,34 4.392,35 4.513,36 6.236,37 4.435,38 5.288,39 5.512,40 4.392,41 4.533,42 6.195,43 4.45,44 5.312,45 5.55,46 4.329,47 4.525,48 6.185,49 4.423,50 5.313,51 5.561,52 4.26,53 4.512,54 6.177,55 4.379,56 0.04,57 1.162,58 16.27,59 6.591,60 9.536,61 9.044,62 0.566,63 1.879,64 32.438,65 10.644,66 45.582,67 15.255,68 0.521,69 2.285,70 43.23,71 13.662,72 46.407,73 20.368,74 0.591,75 2.4,76 46.269,77 14.404,78 59.92,79 21.794,80 0.546,81 2.344,82 45.299,83 14.642,84 65.785,85 21.665,86 0.477,87 2.414,88 43.903,89 14.464,90 48.92,91 21.414,92 0.572,93 2.408,94 45.569,95 14.743,96 52.392,97 22.324,98 0.587,99 2.32,100 45.963,101 16.777,102 62.953,103 24.615,104 9,105 62,106 0.237,107 0.569,108 0.747,109 0.817,110 0.822,111 0.822,112 3.718,113 0.937,114 -5.17,115 -5.06,116 -4.74,119 40,120 1,121 2,125 8,127 1,142 9,143 3,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 4,175 13,178 2,180 2,183 11,186 2,187 8,192 2,195 5,198 6,199 15,204 2,207 5,211 2,212 11,220 6,223 1,224 14,227 2,232 10,236 3,237 6,245 8,249 6,250 8,253 2,255 1,258 6,263 11,266 1,271 2,275 3748,276 27.886,277 27.886,278 27.886,279 27.886,280 27.886,281 25.246,282 35.843,283 16.811,284 28.715,285 22.266,286 22.266,287 22.266,288 22.266,289 22.266,290 18.191,291 49.348,292 8.001,293 23.508,294 4.682,295 2.514,296 1.354,297 0.9,298 0.863,299 0.863,300 4.437,305 1,306 1362,307 3.536,310 97.313,311 633.089,314 175.162,318 2.44,319 32.252,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 86.5,331 618,332 4.693,333 3.65,334 6.903,335 4.237,336 3.288,337 4.638,338 2.186,339 11.616,340 3.12,341 4.185,342 3.38,343 6.329,344 3.824,345 2.868,346 3.796,347 0.916,348 9.594,349 2.758,350 4,351 3.077,352 6.107,353 3.731,354 2.772,355 3.457,356 0.86,357 8.93,358 2.651,359 3.929,360 2.948,361 5.637,362 3.606,363 2.649,364 3.367,365 0.8,366 7.742,367 2.546,368 3.819,369 2.82,370 5.517,371 3.48,372 2.532,373 3.161,374 0.366,375 7.35,376 2.389,377 3.526,378 2.54,379 5.469,380 3.317,381 2.353,382 2.704,383 0.172,384 7.106,385 2.249,386 3.466,387 2.419,388 5.044,389 3.062,390 2.119,391 2.605,393 6.052,394 1.985,395 3.256,396 2.345,397 4.821,398 3.014,399 2.061,400 2.346,402 5.493,403 1.948,404 2.968,405 2.12,406 4.744,407 2.654,408 1.734,409 2.168,411 4.82,412 1.593,413 2.934,414 1.812,415 4.417,416 2.444,417 1.497,418 2.042,420 4.272,421 1.414,422 2.816,423 1.58,424 4.083,425 2.415,426 1.427,427 1.906,428 3.225,429 1.405,430 2.53,431 1.534,432 3.76,433 2.152,434 1.252,435 1.541,436 2.992,437 1.12,438 2.5,439 1.486,440 3.587,441 2.048,442 1.105,443 1.5,445 2.882,446 1.036,447 2.5,448 1.256,449 3.425,450 2,451 1.009,452 1.5,454 2.275,455 1,456 2.387,457 1.118,458 3.414,459 2,460 1,461 1.376,463 2.275,464 1,465 18.8,466 0.47,467 0.756,468 0.019,469 50,470 1.25,471 22.5,472 0.563,473 27.5,474 0.688,475 39.015,476 0.975,477 43.6,478 0.581,479 41.233,480 1.031,481 9.767,482 0.244,483 9.907,484 0.248,485 0.044,487 0.303,493 0.809,494 1.492,495 0.789,496 1.22,497 0.619,498 1.033,499 1.043,500 1.125,501 0.954,502 0.962,503 0.626,504 0.945,505 1.07,506 1.163,507 0.987,508 0.977,509 0.789,510 0.967,511 0.864,512 0.972,513 0.957,514 0.932,515 0.93,516 0.939,517 1.022,518 1.031,519 0.971,520 0.933,521 1.263,522 0.936,523 0.95,524 1.135,525 1.086,526 1.082,527 0.859,528 1.09,529 0.823,530 1.088,531 1.102,532 1.07,533 0.648,534 1.103,535 0.476,536 1.006,537 0.989,538 1.145,539 0.471,540 1.146,541 6.5,542 0.305,543 3.778,544 1.972,545 1.796,546 1.448,547 1.052,548 0.556,549 0.358,550 0.327,551 27942,552 67603,553 2.182,554 46.7,556 26,558 1,559 1,561 3,562 4,564 1.803,565 2.105,566 3.842,567 -0.367,573 116.023,574 1.547,575 3.715,576 4.875,577 5.329,578 5.365,579 5.365,580 3.321,581 4.922,582 5.281,583 4.047,584 3156.29,585 9.348,586 54907.6,591 467.161,592 1.141,593 5.28,594 0.144,595 0.006,596 0.061,597 0.031,598 0.029,599 0.022,600 0.016,601 0.009,602 0.007,603 0.006,604 0.332,605 0.17,606 0.75,607 0.881,608 226.182,609 0.022,610 -0.252,611 0.087,612 -0.123,613 0.01,614 -0.028,615 0.087,616 0.015,617 0.008,618 0.032,619 0.139,620 0.008,621 -0.088,622 -0.105,623 -0.012,624 0.002,625 -0.011,626 0.002,627 -0.001,628 0.086,629 0.019,630 0.022,631 0.017,632 0.025,633 -0.078,634 0.011,635 0.002,636 0.051,637 -0.111,638 0.042,639 -0.097,640 -0.042,641 -0.135,642 -0.096,643 -0.107,644 -0.116,645 -0.034,646 -0.017,647 -0.148,648 -0.091,649 -0.064,650 -0.125,651 0.189,652 -0.003,653 -0.045,654 -0.124,655 0.135,656 -0.125,657 2.138,658 4.817,659 0.825,660 60.94,661 1.001,662 1.132,663 3.939,664 15.518,665 0.654,666 3.829,667 4.143,668 4.443,669 4.745,670 5.024,671 5.176,672 5.425,673 5.638,674 5.811,675 5.991,676 8.74,677 0.622,678 541.72,679 3.829,680 5.371,681 6.229,682 7.109,683 7.987,684 8.879,685 9.77,686 10.67,687 11.569,688 12.476,689 9.3,692 1,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,727 1,731 75,733 23,734 2,735 45,737 80,738 30,739 17,740 3,741 9,746 6,747 7,752 1,755 3,758 3,761 18,762 12,766 1,771 1,775 1,781 35,782 9,783 1,784 10,790 7,794 0.833,795 3,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 40,854 10,855 1,856 2,858 1,859 2,870 4,873 1,874 1,875 1,877 19,878 13.617,879 8.833,880 4.827,881 3.901,882 1.434,883 0.997,884 8.352,885 12.887,886 4.06,887 4.627,888 5.217,889 5.834,890 6.4,891 6.787,892 7.301,893 7.777,894 8.141,895 8.567,896 0.909,897 64,898 14.829,900 6.301,901 7.579,902 28.939,904 24.121,905 2.079,906 83.167,910 400.217,911 157.368,912 76.27,914 47.145,917 157.368,918 447.362,919 76.27,920 8.825,921 47.385,922 85.286,923 99.865,924 42.101,925 9.09,926 388.446,928 400.217,929 233.638,930 47.145,933 320.148,934 118.543,935 11,937 71.874,938 109.202,939 50.234,941 400.217,942 123.415,943 157.368,946 400.217,947 54.209,948 111.184,949 18.011,950 97.379,951 400.217,952 123.415,953 157.368,955 0.571,956 0.332,957 0.186,958 0.103,959 30,960 12,961 0.1,962 8,963 1,964 1.061,965 5.051,966 411.597,967 0.061,968 33,969 192.877,974 26.851,975 12.443,976 6.211,977 1.833,978 121.638,979 20.111,980 14.925,984 4.409,985 2.112,986 18.011,987 681,988 57,993 11.817,997 -0.471,999 75.065,1000 84.929,1001 0.248,1002 0.596,1003 0.783,1004 0.855,1005 0.861,1006 0.861,1007 5.301,1008 2.061,1009 6.192,1010 6.052,1011 4.828,1012 5.316,1013 2.601,1014 6.997,1015 4.729,1016 6.474,1017 1.734,1018 7.737,1019 5.493,1020 4.29,1021 5.027,1022 1.905,1023 7.867,1024 4.146,1025 7.765,1026 1.497,1027 9.383,1028 4.82,1029 6.405,1030 7.478,1031 3.564,1032 11.003,1033 6.21,1034 9.093,1035 1.427,1036 11.093,1037 4.272,1038 6.735,1039 8.098,1040 3.612,1041 12.759,1042 6.491,1043 10.459,1044 1.252,1045 12.845,1046 3.225,1047 8.27,1048 9.997,1049 4.918,1050 15.404,1051 7.981,1052 11.851,1053 1.105,1054 14.628,1055 2.992,1056 9.014,1057 11.066,1058 5.292,1059 17.536,1060 8.673,1061 13.265,1062 1.009,1063 16.433,1064 2.882,1065 10.309,1066 12.738,1067 6.389,1068 20.027,1069 9.924,1070 3.288,1071 1,1072 18.256,1073 2.275,1074 11.262,1075 14.037,1076 6.931,1077 22.327,1078 10.822,1079 2.868,1080 11.616,1081 20.094,1082 2.275,1083 12.46,1084 15.615,1085 7.902,1086 24.772,1087 11.974,1088 2.772,1089 9.594,1090 21.943,1091 4.638,1092 13.518,1093 17.031,1094 8.539,1095 27.148,1096 12.975,1097 2.649,1098 8.93,1099 23.802,1100 3.796,1101 14.683,1102 18.573,1103 9.436,1104 29.584,1105 14.092,1106 2.532,1107 7.742,1108 25.67,1109 3.457,1110 15.795,1111 20.047,1112 10.13,1113 31.995,1114 15.147,1115 2.353,1116 7.35,1117 27.545,1118 3.367,1119 16.953,1120 21.577,1121 10.981,1122 34.432,1123 16.254,1124 2.119,1125 7.106,1126 29.426,1127 3.161,1128 18.094,1129 23.08,1130 11.71,1131 36.861,1132 17.339,1133 25910,1134 40500,1135 31.205,1136 49.063,1137 67.292,1138 68.282,1139 68.092,1140 66.953,1141 66.916,1142 84.362,1143 10.603,1144 189.458,1145 63.604,1146 5.693,1147 5.65,1148 6.705,1149 5.341,1150 5.288,1151 7.638,1152 3.889,1153 19.165,1154 5.12,1155 13.115,1156 1.495,1157 1.517,1158 1.513,1159 1.488,1160 1.487,1161 1.875,1162 0.236,1163 4.21,1164 1.413,1165 4.143,1166 4.195,1167 4.117,1168 3.987,1169 7.435,1170 4.011,1171 3.931,1172 3.972,1173 3.854,1174 3.855,1175 5.136,1176 3.85,1177 3.895,1178 3.93,1179 3.84,1180 3.802,1181 4.76,1182 3.807,1183 3.782,1184 3.839,1185 3.675,1186 3.626,1187 4.751,1188 3.627,1189 3.694,1190 3.752,1191 3.579,1192 3.484,1193 4.623,1194 3.499,1195 3.57,1196 3.609,1197 3.476,1198 3.313,1199 4.511,1200 3.334,1201 3.321,1202 3.393,1203 3.228,1204 3.105,1205 4.433,1206 3.126,1207 3.227,1208 3.291,1209 3.088,1210 3.041,1211 4.253,1212 3.043,1213 0.104,1214 0.081,1215 0.153,1216 0.094,1217 0.073,1218 4.693,1219 0.103,1220 3.65,1221 0.049,1222 6.903,1223 0.258,1224 4.237,1225 0.069,1226 3.288,1227 4.638,1228 2.186,1229 11.616,1230 3.12,1231 1.958,1232 1.925,1233 2.082,1234 2.107,1235 1.426,1236 2.095,1237 1.925,1238 1.891,1239 2.029,1240 2.047,1241 1.22,1242 2.047,1243 1.827,1244 1.783,1245 1.987,1246 1.963,1247 1.14,1248 1.967,1249 1.77,1250 1.719,1251 1.932,1252 1.95,1253 1.104,1254 1.954,1255 1.584,1256 1.535,1257 1.805,1258 1.804,1259 0.938,1260 1.788,1261 1.492,1262 1.434,1263 1.718,1264 1.743,1265 0.883,1266 1.75,1267 1.316,1268 1.237,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.177,1274 1.129,1275 1.513,1276 1.452,1277 0.825,1278 1.429,1279 4.511,1281 5.826,1282 2.398,1283 7.341,1284 4.727,1285 8.947,1286 6.862,1287 10.602,1289 1.779,1295 8.256,1296 2.739,1297 10.595,1299 0.279,1300 4.783,1305 46.669,1306 116.023,1307 278.619,1308 365.613,1309 399.652,1310 402.407,1311 402.407,1312 59.984,1313 8.986,1314 97.64,1315 97.64,1316 35,1317 12.995,1318 4.585,1319 3.7,1320 57.149,1321 200,1322 256,1323 0.133,1324 281.528,1325 484.13,1326 678.688,1327 113097,1329 27.313,1330 0.683,1331 0.571,1332 27.313,1333 22.83,1334 19.674,1335 0.437,1336 0.312,1337 13.83,1338 18.775,1339 13.585,1340 11.16,1341 19.674,1342 14.061,1343 17.293,1344 0.279,1345 0.165,1346 17.293,1347 10.212,1348 14.852,1349 0.177,1350 0.09,1351 14.852,1352 7.561,1353 12.878,1354 0.113,1355 0.048,1356 12.878,1357 5.475,1358 10.658,1359 0.071,1360 0.026,1361 10.658,1362 3.94,1363 0.211,1364 123.934,1365 0.179,1366 36.102,1367 0.361,1368 214,1369 601.41,1370 238.26,1371 572.094,1372 796.69,1373 542,1374 253,1375 597.71,1376 278.211,1377 598.048,1378 884.69,1379 565,1380 6.2}
{0 CHEMBL562365,1 1.622,2 12.771,3 0.456,4 0.208,5 130.077,6 7.363,7 0.41,8 4.29,9 4.423,10 3.852,11 3.737,12 5.35,13 3.74,14 4.871,15 5.068,16 4.224,17 4.142,18 5.913,19 4.124,20 5.118,21 5.342,22 4.288,23 4.307,24 6.111,25 4.262,26 5.172,27 5.406,28 4.274,29 4.348,30 6.19,31 4.282,32 5.173,33 5.415,34 4.255,35 4.355,36 6.14,37 4.279,38 5.12,39 5.35,40 4.252,41 4.321,42 6.08,43 4.255,44 5.093,45 5.322,46 4.218,47 4.302,48 6.066,49 4.235,50 5.106,51 5.332,52 4.164,53 4.34,54 6.09,55 4.232,56 0.09,57 1.041,58 13.92,59 5.177,60 8.138,61 7.471,62 0.567,63 1.633,64 28.236,65 8.429,66 38.11,67 12.754,68 0.651,69 1.947,70 37.667,71 10.51,72 56.236,73 16.384,74 0.721,75 2.032,76 39.932,77 11.661,78 71.306,79 17.806,80 0.606,81 2.002,82 40.216,83 12.269,84 68.546,85 18.939,86 0.587,87 1.979,88 37.217,89 11.02,90 49.614,91 17.211,92 0.678,93 1.909,94 36.32,95 10.49,96 50.202,97 16.521,98 0.573,99 1.891,100 36.255,101 13.391,102 59.721,103 19.343,104 23,105 55,106 0.257,107 0.605,108 0.786,109 0.815,110 0.815,111 0.815,112 3.589,113 0.92,114 -3.8,115 -3.76,116 -3.57,119 36.9,120 1,121 2,124 1,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,158 1,159 1,161 1,166 1,172 4,174 4,175 13,178 2,179 1,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 12,204 3,207 5,211 2,212 8,217 2,220 2,223 2,224 13,227 2,229 1,232 4,236 4,237 4,245 4,249 5,250 5,253 4,255 1,258 5,263 6,266 1,275 2392,276 23.955,277 23.955,278 23.955,279 23.955,280 23.955,281 21.884,282 32.806,283 14.036,284 24.612,285 19.196,286 19.196,287 19.196,288 19.196,289 19.196,290 15.846,291 42.98,292 6.602,293 20.201,294 4.4,295 2.21,296 1.069,297 0.885,298 0.885,299 0.885,300 4.296,305 1,306 970,307 3.606,310 81.988,311 413.234,314 147.109,318 1.879,319 35.232,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 77,331 447,332 4.693,333 3.669,334 6.903,335 4.237,336 3.289,337 4.638,338 1.94,339 11.617,340 3.12,341 4.185,342 3.54,343 6.331,344 3.836,345 2.881,346 3.796,347 1.656,348 9.599,349 2.765,350 4.007,351 3.377,352 6.107,353 3.745,354 2.778,355 3.369,356 0.86,357 8.93,358 2.675,359 3.871,360 3.027,361 5.918,362 3.619,363 2.677,364 3.161,365 0.8,366 8.169,367 2.517,368 3.814,369 2.821,370 5.556,371 3.484,372 2.523,373 3.035,374 0.555,375 7.324,376 2.416,377 3.461,378 2.543,379 5.464,380 3.212,381 2.251,382 2.689,383 0.247,384 7.057,385 2.153,386 3.394,387 2.392,388 4.79,389 3.029,390 2.043,391 2.492,393 5.327,394 2,395 2.987,396 2.29,397 4.772,398 2.71,399 1.778,400 2.165,402 4.9,403 1.654,404 2.955,405 2.068,406 4.413,407 2.44,408 1.488,409 2.038,411 4.25,412 1.412,413 2.666,414 1.535,415 4.147,416 2.339,417 1.38,418 1.681,420 3.421,421 1.309,422 2.5,423 1.528,424 3.763,425 2.093,426 1.185,427 1.5,428 2.91,429 1.064,430 2.485,431 1.256,432 3.706,433 2,434 1.033,435 1.469,436 2.633,437 1,438 2.305,439 1.115,440 3.422,441 2,442 1,443 1.251,445 2.275,446 0.994,447 2,448 1.096,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.077,458 3.414,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.2,466 0.463,467 0.815,468 0.023,469 42.75,470 1.221,471 18,472 0.514,473 24.75,474 0.707,475 33.552,476 0.959,477 39,478 0.6,479 35.524,480 1.015,481 8.413,482 0.24,483 8.616,484 0.246,485 0.103,487 0.352,493 0.784,494 1.635,495 0.776,496 1.28,497 0.558,498 1.057,499 0.924,500 1.119,501 0.876,502 0.938,503 0.559,504 0.899,505 1.154,506 1.136,507 0.995,508 0.934,509 0.967,510 0.929,511 1.025,512 0.98,513 1.055,514 0.972,515 1.138,516 1.005,517 0.874,518 1.068,519 0.922,520 0.972,521 0.966,522 0.954,523 0.876,524 1.14,525 1.023,526 1.06,527 0.706,528 1.054,529 0.883,530 1.033,531 1.069,532 0.993,533 0.54,534 1.033,535 0.504,536 0.999,537 1.014,538 1.253,539 0.487,540 1.236,541 6.5,542 0.36,543 4.222,544 1.91,545 1.685,546 1.559,547 1.014,548 0.514,549 0.338,550 0.332,551 17598,552 47501,553 2.123,554 46.2,556 20,558 1,559 2,560 3,562 4,564 1.773,565 2,566 3.585,567 0.247,573 105.453,574 1.622,575 3.812,576 4.953,577 5.138,578 5.138,579 5.138,580 3.061,581 4.651,582 5.09,583 3.786,584 2252.64,585 8.976,586 34612.6,591 391.454,592 1.366,593 5.067,594 0.167,595 0.01,596 0.077,597 0.033,598 0.03,599 0.028,600 0.018,601 0.01,602 0.007,603 0.008,604 0.387,605 0.33,606 0.63,607 1.033,608 187.899,609 -0.018,610 -0.326,611 0.076,612 -0.148,613 -0.01,614 -0.039,615 0.063,616 0.04,617 0.066,618 0.067,619 0.091,620 0.062,621 -0.152,622 -0.064,623 -0.028,624 0.05,625 -0.06,626 0.036,627 -0.098,628 0.091,629 -0.094,630 0.008,631 -0.118,632 -0.036,633 -0.05,634 -0.042,635 0.032,636 0.042,637 -0.087,638 0.051,639 -0.06,640 -0.045,641 -0.082,642 -0.064,643 -0.066,644 -0.073,645 -0.042,646 0.072,647 -0.125,648 -0.004,649 -0.003,650 -0.06,651 0.176,652 0.062,653 -0.102,654 -0.175,655 0.126,656 -0.192,657 1.94,658 4.766,659 0.771,660 43.535,661 1.008,662 1.141,663 2.568,664 6.597,665 0.643,666 3.689,667 4.025,668 4.331,669 4.615,670 4.905,671 5.094,672 5.342,673 5.533,674 5.697,675 5.875,676 7.444,677 0.617,678 478.62,679 3.689,680 5.242,681 6.107,682 6.995,683 7.882,684 8.781,685 9.679,686 10.586,687 11.492,688 12.404,689 12.3,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 65,733 18,734 1,735 39,737 69,738 24,739 11,740 2,741 4,746 5,747 6,751 1,752 1,755 3,758 3,761 13,762 11,766 2,771 2,775 2,781 30,782 10,783 2,784 11,790 8,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,827 1,839 1,840 4,844 2,848 35,854 8,855 2,856 1,858 1,859 2,870 4.6,873 2,874 1,877 17.5,878 12.2,879 7.694,880 4.021,881 3.18,882 1.377,883 0.985,884 7.069,885 11.615,886 3.912,887 4.486,888 5.073,889 5.687,890 6.268,891 6.73,892 7.261,893 7.741,894 8.106,895 8.533,896 0.889,897 58,898 12.976,900 5.547,901 7.733,902 24.953,904 20.713,905 2.233,906 78.167,910 329.591,911 110.718,912 94.281,914 61.29,917 110.718,918 390.881,919 94.281,920 17.222,921 61.822,922 37.905,923 129.715,924 24.792,925 6.604,926 317.82,928 329.591,929 204.998,930 61.29,933 284.834,934 97.374,935 11,937 83.187,938 69.249,939 50.234,941 329.591,942 155.571,943 110.718,946 329.591,947 46.544,948 72.199,949 36.022,950 111.524,951 329.591,952 155.571,953 110.718,955 0.582,956 0.342,957 0.179,958 0.101,959 27,960 12,961 0.058,962 4,963 1,964 1.074,965 4.495,966 346.357,967 0.074,968 27,969 167.525,974 23.828,975 10.383,976 5.068,977 1.716,978 153.794,979 9.337,980 14.631,984 2.995,985 2.003,986 36.022,987 595.879,988 49,993 23.39,997 -0.16,999 65.516,1000 74.182,1001 0.269,1002 0.633,1003 0.822,1004 0.853,1005 0.853,1006 0.853,1007 5.17,1008 1.778,1009 6.094,1010 5.327,1011 4.71,1012 5.173,1013 2.703,1014 6.923,1015 4.614,1016 6.36,1017 1.488,1018 7.662,1019 4.9,1020 4.29,1021 5.017,1022 2.078,1023 7.863,1024 4.164,1025 7.667,1026 1.38,1027 9.332,1028 4.25,1029 6.319,1030 7.352,1031 3.44,1032 10.979,1033 6.126,1034 9.009,1035 1.185,1036 11.061,1037 3.421,1038 6.735,1039 8.073,1040 3.478,1041 12.766,1042 6.505,1043 10.388,1044 1.033,1045 12.83,1046 2.91,1047 8.219,1048 9.901,1049 4.477,1050 15.405,1051 7.93,1052 11.792,1053 1,1054 14.625,1055 2.633,1056 9.016,1057 11.036,1058 4.812,1059 17.547,1060 8.682,1061 13.215,1062 1,1063 16.441,1064 2.275,1065 10.286,1066 12.671,1067 5.638,1068 20.035,1069 9.899,1070 3.289,1071 1,1072 18.272,1073 2.275,1074 11.267,1075 14.011,1076 6.121,1077 22.337,1078 10.83,1079 2.881,1080 11.617,1081 20.115,1082 2.136,1083 12.455,1084 15.572,1085 6.86,1086 24.78,1087 11.965,1088 2.778,1089 9.599,1090 21.969,1091 4.638,1092 13.526,1093 17.011,1094 7.421,1095 27.155,1096 12.984,1097 2.677,1098 8.93,1099 23.83,1100 3.796,1101 14.688,1102 18.547,1103 8.117,1104 29.589,1105 14.092,1106 2.523,1107 8.169,1108 25.699,1109 3.369,1110 15.805,1111 20.034,1112 8.721,1113 32,1114 15.156,1115 2.251,1116 7.324,1117 27.575,1118 3.161,1119 16.962,1120 21.562,1121 9.396,1122 34.436,1123 16.26,1124 2.043,1125 7.057,1126 29.456,1127 3.035,1128 18.105,1129 23.072,1130 10.024,1131 36.864,1132 17.348,1133 16733,1134 27610,1135 26.353,1136 41.784,1137 59.049,1138 60.641,1139 60.653,1140 58.694,1141 58.751,1142 73.127,1143 12.118,1144 170.574,1145 55.986,1146 5.693,1147 5.669,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.348,1153 19.165,1154 5.12,1155 16.778,1156 1.514,1157 1.555,1158 1.555,1159 1.505,1160 1.506,1161 1.875,1162 0.311,1163 4.374,1164 1.436,1165 4.14,1166 4.192,1167 4.116,1168 3.982,1169 7.432,1170 4.008,1171 3.902,1172 3.943,1173 3.845,1174 3.806,1175 7.427,1176 3.811,1177 3.823,1178 3.879,1179 3.73,1180 3.654,1181 5.135,1182 3.662,1183 3.72,1184 3.778,1185 3.61,1186 3.491,1187 4.752,1188 3.51,1189 3.55,1190 3.618,1191 3.474,1192 3.26,1193 4.623,1194 3.302,1195 3.44,1196 3.491,1197 3.328,1198 3.231,1199 4.486,1200 3.245,1201 3.22,1202 3.297,1203 3.138,1204 3.005,1205 4.224,1206 3.027,1207 3.111,1208 3.206,1209 2.907,1210 2.941,1211 4.203,1212 2.91,1213 0.12,1214 0.094,1215 0.177,1216 0.109,1217 0.084,1218 4.693,1219 0.119,1220 3.669,1221 0.05,1222 6.903,1223 0.298,1224 4.237,1225 0.08,1226 3.289,1227 4.638,1228 1.94,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.053,1234 2.104,1235 1.411,1236 2.086,1237 1.852,1238 1.801,1239 2.016,1240 2.027,1241 1.219,1242 2.025,1243 1.779,1244 1.732,1245 1.933,1246 1.964,1247 1.105,1248 1.958,1249 1.588,1250 1.538,1251 1.733,1252 1.818,1253 0.885,1254 1.793,1255 1.432,1256 1.374,1257 1.694,1258 1.728,1259 0.825,1260 1.716,1261 1.423,1262 1.349,1263 1.676,1264 1.68,1265 0.825,1266 1.672,1267 1.204,1268 1.124,1269 1.513,1270 1.494,1271 0.747,1272 1.478,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.688,1278 1.429,1279 4.369,1281 5.7,1282 2.398,1283 7.231,1284 4.727,1285 8.848,1286 6.862,1287 10.515,1289 3.195,1295 5.915,1296 5.312,1297 5.554,1299 0.169,1300 4.11,1305 40.11,1306 105.453,1307 247.802,1308 321.944,1309 333.944,1310 333.944,1311 333.944,1312 60.456,1313 8.435,1314 117.51,1315 117.51,1316 29,1317 12.919,1318 4.248,1319 3.459,1320 51.939,1321 152,1322 188,1323 0.165,1324 244.016,1325 419.87,1326 587.159,1327 53453,1329 24.363,1330 0.696,1331 0.572,1332 24.363,1333 20.029,1334 17.029,1335 0.437,1336 0.307,1337 11.725,1338 16.116,1339 11.482,1340 9.434,1341 17.029,1342 11.959,1343 15.311,1344 0.278,1345 0.16,1346 15.311,1347 8.815,1348 13.244,1349 0.177,1350 0.088,1351 13.244,1352 6.628,1353 10.927,1354 0.109,1355 0.046,1356 10.927,1357 4.645,1358 9.153,1359 0.068,1360 0.025,1361 9.153,1362 3.307,1363 0.257,1364 108.254,1365 0.195,1366 31.973,1367 0.461,1368 188,1369 567.743,1370 212.486,1371 537.474,1372 738.94,1373 506,1374 224,1375 550.005,1376 249.214,1377 547.927,1378 808.59,1379 517,1380 6.648}
{0 CHEMBL562439,1 1.617,2 13.405,3 0.658,4 0.433,5 138.548,6 7.252,7 0.39,8 4.36,9 4.498,10 3.908,11 3.784,12 5.415,13 3.788,14 4.943,15 5.152,16 4.277,17 4.193,18 5.968,19 4.175,20 5.173,21 5.393,22 4.364,23 4.369,24 6.178,25 4.323,26 5.286,27 5.532,28 4.344,29 4.401,30 6.317,31 4.344,32 5.214,33 5.438,34 4.328,35 4.437,36 6.192,37 4.363,38 5.28,39 5.527,40 4.304,41 4.444,42 6.183,43 4.351,44 5.239,45 5.496,46 4.264,47 4.38,48 6.144,49 4.292,50 5.168,51 5.403,52 4.238,53 4.375,54 6.14,55 4.276,56 0.09,57 1.116,58 15.407,59 5.351,60 9.278,61 8.081,62 0.701,63 1.729,64 31.231,65 8.657,66 41.031,67 13.613,68 0.56,69 2.061,70 39.553,71 11.242,72 49.967,73 17.934,74 0.972,75 2.155,76 46.53,77 11.808,78 95.765,79 18.86,80 0.588,81 2.146,82 41.061,83 12.696,84 65.241,85 19.68,86 0.668,87 2.204,88 44.756,89 13.461,90 57.176,91 21.303,92 0.758,93 2.063,94 43.675,95 12.406,96 60.413,97 20.143,98 0.647,99 1.983,100 39.41,101 13.502,102 61.894,103 20.124,104 35,105 58,106 0.253,107 0.576,108 0.752,109 0.802,110 0.802,111 0.802,112 3.642,113 0.92,114 -3.7,115 -3.66,116 -3.49,119 35.7,121 2,124 3,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 11,178 2,179 1,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 14,204 3,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 4,236 5,237 3,245 4,249 6,250 5,253 4,255 1,258 4,263 6,266 1,275 2888,276 25.162,277 25.162,278 25.162,279 25.162,280 25.162,281 23.168,282 35.146,283 14.678,284 25.946,285 20.153,286 20.153,287 20.153,288 20.153,289 20.153,290 16.829,291 45.541,292 6.888,293 21.322,294 4.512,295 2.448,296 1.322,297 1.004,298 1.004,299 1.004,300 4.347,306 1068,307 4,310 88.792,311 446.639,314 159.641,318 2.104,319 36.702,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 81.5,331 496,332 4.693,333 3.769,334 6.903,335 4.238,336 3.289,337 4.638,338 1.741,339 11.617,340 3.12,341 4.186,342 3.54,343 6.342,344 3.883,345 2.937,346 3.796,347 1.656,348 9.615,349 2.781,350 4.075,351 3.377,352 6.266,353 3.783,354 2.817,355 3.371,356 0.86,357 9.151,358 2.72,359 3.972,360 3.029,361 6.107,362 3.692,363 2.751,364 3.225,365 0.8,366 8.93,367 2.58,368 3.815,369 2.822,370 5.574,371 3.485,372 2.524,373 3.158,374 0.693,375 7.327,376 2.416,377 3.465,378 2.558,379 5.464,380 3.259,381 2.304,382 2.689,383 0.343,384 7.126,385 2.189,386 3.421,387 2.404,388 4.922,389 3.032,390 2.048,391 2.515,392 0.247,393 5.329,394 2.002,395 3.054,396 2.322,397 4.782,398 2.86,399 1.937,400 2.165,402 5.294,403 1.784,404 2.961,405 2.103,406 4.722,407 2.608,408 1.699,409 2.099,411 4.703,412 1.541,413 2.83,414 1.931,415 4.412,416 2.439,417 1.487,418 1.872,420 4.247,421 1.411,422 2.528,423 1.535,424 4.087,425 2.165,426 1.263,427 1.536,428 3.172,429 1.132,430 2.5,431 1.527,432 3.76,433 2.048,434 1.107,435 1.5,436 2.888,437 1.036,438 2.395,439 1.256,440 3.427,441 2,442 1,443 1.381,445 2.275,446 1,447 2.114,448 1.115,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.096,458 3.414,459 1.952,460 1,461 1,463 2.136,464 0.946,465 17.1,466 0.462,467 0.904,468 0.024,469 44.5,470 1.203,471 18,472 0.486,473 26.5,474 0.716,475 36.411,476 0.984,477 41.7,478 0.596,479 38.791,480 1.048,481 8.869,482 0.24,483 9.071,484 0.245,485 0.127,487 0.357,493 0.806,494 1.746,495 0.792,496 1.342,497 0.568,498 1.096,499 0.945,500 0.99,501 0.881,502 0.831,503 0.567,504 0.833,505 1.037,506 1.296,507 0.961,508 1.093,509 0.837,510 1.02,511 1.321,512 0.849,513 1.081,514 0.792,515 1.567,516 0.872,517 0.934,518 1.163,519 1.035,520 1.098,521 1.013,522 1.083,523 0.77,524 1.093,525 1.008,526 1.097,527 0.652,528 1.088,529 0.746,530 0.992,531 0.941,532 0.961,533 0.485,534 0.969,535 0.547,536 0.984,537 0.966,538 1.178,539 0.474,540 1.153,541 7,542 0.384,543 4.667,544 2.16,545 1.845,546 1.615,547 1.094,548 0.545,549 0.381,550 0.382,551 20496,552 54497,553 2.1,554 47.1,556 26,558 1,559 2,562 4,564 1.786,565 1.965,566 3.664,567 0.243,573 113.204,574 1.617,575 3.682,576 4.807,577 5.126,578 5.126,579 5.126,580 3.148,581 4.831,582 5.17,583 3.872,584 2579.01,585 9.134,586 41576,591 429.05,592 1.414,593 5.14,594 0.171,595 0.01,596 0.08,597 0.035,598 0.031,599 0.027,600 0.019,601 0.01,602 0.007,603 0.008,604 0.398,605 0.33,606 0.63,607 1.127,608 202.716,609 -0.018,610 -0.408,611 0.081,612 -0.189,613 -0.012,614 -0.06,615 0.084,616 0.178,617 0.082,618 0.164,619 0.091,620 0.125,621 -0.089,622 -0.198,623 -0.005,624 -0.071,625 0.009,626 -0.029,627 -0.198,628 0.189,629 -0.079,630 0.149,631 -0.195,632 0.069,633 -0.101,634 -0.065,635 -0.098,636 -0.047,637 -0.119,638 -0.068,639 -0.011,640 -0.037,641 -0.063,642 -0.077,643 -0.043,644 -0.079,645 0.047,646 0.039,647 0.018,648 0.034,649 0.045,650 0.028,651 0.176,652 0.087,653 -0.039,654 -0.111,655 0.147,656 -0.117,657 1.942,658 5.391,659 0.73,660 49.308,661 1.007,662 1.144,663 2.465,664 6.077,665 0.636,666 3.738,667 4.078,668 4.382,669 4.654,670 4.934,671 5.118,672 5.38,673 5.58,674 5.737,675 5.919,676 7.872,677 0.609,678 507.67,679 3.738,680 5.293,681 6.159,682 7.047,683 7.933,684 8.831,685 9.729,686 10.634,687 11.539,688 12.45,689 12.9,695 1,696 4,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 70,733 18,734 1,735 41,737 74,738 25,739 11,740 2,741 4,746 5,747 6,751 2,755 3,758 3,761 13,762 12,766 2,771 2,775 2,781 33,782 11,783 2,784 12,790 9,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,839 1,840 4,844 3,848 37,854 8,855 2,856 1,858 1,859 3,870 4.3,873 2,874 1,877 18.833,878 13.4,879 8.139,880 4.221,881 3.164,882 1.369,883 0.977,884 7.789,885 11.733,886 3.951,887 4.519,888 5.11,889 5.701,890 6.276,891 6.735,892 7.266,893 7.748,894 8.114,895 8.544,896 1,897 62,898 13.722,900 5.831,901 7.721,902 26.367,904 21.713,905 2.221,906 82.167,910 364.904,911 118.256,912 97.405,914 61.29,917 118.256,918 426.194,919 97.405,920 25.189,921 64.947,922 37.905,923 125.01,924 24.792,925 10.88,926 353.133,928 364.904,929 215.661,930 61.29,933 320.148,934 97.374,935 11,937 77.486,938 85.613,939 50.234,941 364.904,942 158.695,943 118.256,946 364.904,947 46.115,948 83.291,949 36.022,950 111.524,951 364.904,952 158.695,953 118.256,955 0.584,956 0.345,957 0.178,958 0.098,959 28,960 13,961 0.054,962 4,963 1,964 1.074,965 4.628,966 371.672,967 0.074,968 27,969 178.75,974 25.704,975 11.212,976 5.515,977 1.701,978 156.918,979 9.337,980 14.689,984 2.976,985 2.003,986 36.022,987 641.855,988 51,993 24.046,997 -0.236,999 70.501,1000 80.095,1001 0.264,1002 0.601,1003 0.784,1004 0.836,1005 0.836,1006 0.836,1007 5.215,1008 1.937,1009 6.151,1010 5.329,1011 4.762,1012 5.207,1013 2.662,1014 6.984,1015 4.657,1016 6.404,1017 1.699,1018 7.725,1019 5.294,1020 4.369,1021 5.056,1022 1.911,1023 7.934,1024 4.22,1025 7.711,1026 1.487,1027 9.4,1028 4.703,1029 6.378,1030 7.379,1031 3.226,1032 11.05,1033 6.171,1034 9.054,1035 1.263,1036 11.135,1037 4.247,1038 6.815,1039 8.104,1040 3.136,1041 12.837,1042 6.562,1043 10.433,1044 1.107,1045 12.908,1046 3.172,1047 8.286,1048 9.922,1049 4.083,1050 15.478,1051 7.979,1052 11.838,1053 1,1054 14.707,1055 2.888,1056 9.096,1057 11.057,1058 4.292,1059 17.614,1060 8.74,1061 13.262,1062 1,1063 16.526,1064 2.275,1065 10.36,1066 12.686,1067 5.054,1068 20.1,1069 9.951,1070 3.289,1071 1,1072 18.359,1073 2.275,1074 11.347,1075 14.024,1076 5.414,1077 22.393,1078 10.886,1079 2.937,1080 11.617,1081 20.204,1082 2.136,1083 12.531,1084 15.582,1085 6.075,1086 24.831,1087 12.018,1088 2.817,1089 9.615,1090 22.058,1091 4.638,1092 13.605,1093 17.019,1094 6.516,1095 27.199,1096 13.038,1097 2.751,1098 9.151,1099 23.921,1100 3.796,1101 14.763,1102 18.553,1103 7.122,1104 29.628,1105 14.145,1106 2.524,1107 8.93,1108 25.79,1109 3.371,1110 15.88,1111 20.038,1112 7.607,1113 32.032,1114 15.207,1115 2.304,1116 7.327,1117 27.665,1118 3.225,1119 17.034,1120 21.566,1121 8.183,1122 34.463,1123 16.309,1124 2.048,1125 7.126,1126 29.545,1127 3.158,1128 18.174,1129 23.074,1130 8.693,1131 36.887,1132 17.395,1133 19595,1134 32084,1135 27.452,1136 44.552,1137 62.336,1138 64.237,1139 64.04,1140 61.848,1141 61.83,1142 76.149,1143 12.681,1144 180.16,1145 58.601,1146 5.693,1147 5.769,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.026,1153 19.166,1154 5.12,1155 19.399,1156 1.52,1157 1.567,1158 1.562,1159 1.508,1160 1.508,1161 1.857,1162 0.309,1163 4.394,1164 1.429,1165 4.141,1166 4.192,1167 4.116,1168 3.982,1169 7.432,1170 4.008,1171 3.903,1172 3.943,1173 3.845,1174 3.806,1175 7.427,1176 3.811,1177 3.829,1178 3.886,1179 3.744,1180 3.651,1181 5.135,1182 3.662,1183 3.726,1184 3.787,1185 3.618,1186 3.492,1187 4.752,1188 3.512,1189 3.565,1190 3.639,1191 3.481,1192 3.312,1193 4.623,1194 3.335,1195 3.535,1196 3.607,1197 3.414,1198 3.253,1199 4.487,1200 3.295,1201 3.247,1202 3.326,1203 3.172,1204 3.014,1205 4.274,1206 3.04,1207 3.111,1208 3.206,1209 2.955,1210 2.941,1211 4.205,1212 2.91,1213 0.114,1214 0.092,1215 0.168,1216 0.103,1217 0.08,1218 4.693,1219 0.113,1220 3.769,1221 0.042,1222 6.903,1223 0.283,1224 4.238,1225 0.076,1226 3.289,1227 4.638,1228 1.741,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.051,1234 2.104,1235 1.411,1236 2.086,1237 1.851,1238 1.799,1239 2.014,1240 2.03,1241 1.219,1242 2.026,1243 1.778,1244 1.73,1245 1.933,1246 1.964,1247 1.105,1248 1.958,1249 1.59,1250 1.539,1251 1.783,1252 1.838,1253 0.887,1254 1.816,1255 1.51,1256 1.431,1257 1.725,1258 1.78,1259 0.839,1260 1.77,1261 1.423,1262 1.349,1263 1.688,1264 1.713,1265 0.825,1266 1.708,1267 1.253,1268 1.167,1269 1.513,1270 1.564,1271 0.825,1272 1.529,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.688,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.284,1284 4.727,1285 8.902,1286 6.862,1287 10.568,1289 5.136,1295 5.757,1296 5.319,1297 5.568,1299 0.142,1300 5.728,1305 42.659,1306 113.204,1307 257.719,1308 336.52,1309 358.785,1310 358.785,1311 358.785,1312 66.661,1313 8.569,1314 120.75,1315 120.75,1316 29,1317 12.966,1318 4.248,1319 3.459,1320 56.51,1321 168,1322 208,1323 0.16,1324 260.403,1325 448.17,1326 627.143,1327 63433,1329 25.941,1330 0.701,1331 0.58,1332 25.941,1333 21.476,1334 17.94,1335 0.438,1336 0.307,1337 12.305,1338 16.933,1339 12.004,1340 9.919,1341 17.94,1342 12.577,1343 16.17,1344 0.279,1345 0.163,1346 16.17,1347 9.473,1348 14.096,1349 0.178,1350 0.087,1351 14.096,1352 6.836,1353 11.331,1354 0.109,1355 0.046,1356 11.331,1357 4.804,1358 9.456,1359 0.069,1360 0.025,1361 9.456,1362 3.436,1363 0.25,1364 114.462,1365 0.191,1366 33.538,1367 0.443,1368 198,1369 597.388,1370 224.401,1371 566.035,1372 777.16,1373 532,1374 236,1375 578.118,1376 264.376,1377 579.433,1378 854.35,1379 543,1380 6.68}
{0 CHEMBL562999,1 1.641,2 14.184,3 1.589,4 2.525,5 138.911,6 7.438,7 0.372,8 4.375,9 4.502,10 3.949,11 3.821,12 5.421,13 3.83,14 4.955,15 5.143,16 4.293,17 4.207,18 6.007,19 4.187,20 5.179,21 5.409,22 4.358,23 4.356,24 6.143,25 4.313,26 5.243,27 5.471,28 4.377,29 4.38,30 6.293,31 4.339,32 5.208,33 5.423,34 4.331,35 4.402,36 6.238,37 4.346,38 5.21,39 5.44,40 4.335,41 4.419,42 6.148,43 4.348,44 5.199,45 5.428,46 4.311,47 4.409,48 6.154,49 4.334,50 5.21,51 5.44,52 4.251,53 4.414,54 6.179,55 4.306,56 0.112,57 1.117,58 14.921,59 5.754,60 8.916,61 8.052,62 0.778,63 1.738,64 30.673,65 9.26,66 50.51,67 13.705,68 0.676,69 2.056,70 39.985,71 11.268,72 52.085,73 17.607,74 0.906,75 2.118,76 43.375,77 11.908,78 81.59,79 17.92,80 0.799,81 2.092,82 41.026,83 12.171,84 84.049,85 18.075,86 0.711,87 2.154,88 40.669,89 12.541,90 53.137,91 19.199,92 0.759,93 2.101,94 40.208,95 12.396,96 56.29,97 19.059,98 0.688,99 2.045,100 40.568,101 14.793,102 65.96,103 21.375,104 12,105 61,106 0.256,107 0.591,108 0.767,109 0.816,110 0.816,111 0.816,112 3.668,113 0.919,114 -3.9,115 -3.86,116 -3.66,119 37.1,121 4,124 1,125 6,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 11,178 2,179 1,180 4,183 5,186 2,187 6,192 2,195 2,198 6,199 16,204 5,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 8,236 5,237 3,245 8,249 6,250 5,253 4,255 1,258 6,263 6,266 1,275 3068,276 26.264,277 26.264,278 26.264,279 26.264,280 26.264,281 24.246,282 36.889,283 15.355,284 27.097,285 21.189,286 21.189,287 21.189,288 21.189,289 21.189,290 17.862,291 50.818,292 7.246,293 22.405,294 4.489,295 2.339,296 1.211,297 0.896,298 0.896,299 0.896,300 4.378,306 1197,307 3.808,308 79.84,310 92.839,311 462.574,314 166.14,318 2.17,319 40.484,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 84,331 539,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.186,342 3.566,343 6.331,344 3.839,345 2.889,346 3.796,347 1.656,348 9.601,349 2.765,350 4.016,351 3.377,352 6.107,353 3.762,354 2.798,355 3.37,356 0.86,357 8.931,358 2.675,359 3.913,360 3.028,361 6.011,362 3.69,363 2.722,364 3.171,365 0.8,366 8.496,367 2.633,368 3.869,369 2.825,370 5.633,371 3.63,372 2.702,373 3.091,374 0.655,375 7.818,376 2.492,377 3.661,378 2.677,379 5.561,380 3.41,381 2.446,382 2.842,383 0.247,384 7.141,385 2.353,386 3.411,387 2.545,388 5.384,389 3.214,390 2.257,391 2.5,392 0.13,393 7.051,394 2.146,395 3.309,396 2.39,397 4.789,398 2.942,399 1.945,400 2.417,402 5.2,403 1.925,404 2.996,405 2.301,406 4.709,407 2.721,408 1.794,409 2.146,411 4.931,412 1.656,413 2.951,414 2.075,415 4.408,416 2.435,417 1.489,418 2.047,420 4.248,421 1.407,422 2.701,423 1.535,424 4.24,425 2.393,426 1.47,427 1.722,428 3.713,429 1.339,430 2.5,431 1.528,432 3.96,433 2.108,434 1.219,435 1.5,436 2.975,437 1.075,438 2.494,439 1.461,440 3.759,441 2.019,442 1.071,443 1.485,445 2.844,446 1.011,447 2.327,448 1.256,449 3.424,450 2,451 1,452 1.299,454 2.275,455 1,456 2,457 1.111,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 17.533,466 0.461,467 0.845,468 0.022,469 45.25,470 1.191,471 18,472 0.474,473 27.25,474 0.717,475 37.399,476 0.984,477 42.467,478 0.607,479 38.116,480 1.003,481 8.689,482 0.229,483 9.895,484 0.26,485 0.067,487 0.354,493 0.799,494 1.614,495 0.759,496 1.284,497 0.552,498 1.048,499 0.896,500 1.148,501 0.926,502 0.977,503 0.546,504 0.96,505 0.978,506 1.158,507 0.918,508 0.95,509 0.787,510 0.912,511 1.212,512 0.957,513 1.039,514 0.891,515 1.379,516 0.916,517 1.189,518 1.084,519 1.1,520 0.978,521 1.396,522 1.013,523 0.775,524 1.09,525 0.998,526 1.037,527 0.683,528 1.045,529 0.731,530 1.057,531 1.023,532 1.047,533 0.505,534 1.068,535 0.485,536 0.998,537 0.974,538 1.236,539 0.458,540 1.211,541 7,542 0.342,543 4.5,544 2.063,545 1.775,546 1.618,547 1.083,548 0.502,549 0.348,550 0.372,551 24147,552 62658,553 2.175,554 45.7,556 21,558 1,559 2,561 4,562 4,564 1.791,565 2.073,566 3.729,567 0.227,573 114.838,574 1.641,575 3.791,576 4.918,577 5.233,578 5.233,579 5.233,580 3.218,581 4.722,582 5.208,583 3.945,584 2773.58,585 9.205,586 45952,591 429.05,592 1.275,593 5.196,594 0.163,595 0.008,596 0.078,597 0.033,598 0.029,599 0.027,600 0.018,601 0.009,602 0.007,603 0.008,604 0.379,605 0.33,606 0.63,607 0.703,608 210.669,609 -0.027,610 -0.31,611 0.082,612 -0.146,613 0.008,614 -0.032,615 0.123,616 0.002,617 0.017,618 0.029,619 0.13,620 -0.003,621 -0.092,622 -0.087,623 0.041,624 0.031,625 -0.014,626 0.061,627 -0.15,628 0.099,629 -0.053,630 0.063,631 -0.149,632 0.03,633 -0.197,634 -0.014,635 -0.142,636 0.025,637 -0.218,638 -0.038,639 -0.023,640 0.001,641 -0.066,642 -0.029,643 -0.055,644 -0.052,645 0.022,646 0.035,647 -0.092,648 -0.037,649 0.023,650 -0.073,651 0.19,652 0.043,653 -0.055,654 -0.169,655 0.145,656 -0.167,657 1.962,658 5.116,659 0.789,660 52.997,661 1.01,662 1.14,663 2.669,664 7.126,665 0.643,666 3.784,667 4.127,668 4.407,669 4.691,670 4.963,671 5.142,672 5.398,673 5.587,674 5.756,675 5.951,676 8.207,677 0.619,678 520.66,679 3.784,680 5.342,681 6.213,682 7.102,683 7.989,684 8.888,685 9.784,686 10.688,687 11.59,688 12.499,689 11.4,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 70,733 18,734 1,735 43,737 75,738 26,739 11,740 2,741 4,746 6,747 7,751 1,755 6,758 6,761 13,762 13,766 2,771 2,775 2,781 32,782 11,783 2,784 12,790 8,794 0.833,795 4,803 1,806 1,809 1,811 1,812 4,815 1,837 1,839 1,840 5,844 1,848 38,854 10,855 2,856 2,858 2,859 2,870 5.7,873 2,874 1,875 1,877 18.333,878 12.7,879 8.278,880 4.396,881 3.207,882 1.368,883 0.991,884 7.369,885 11.923,886 3.989,887 4.551,888 5.116,889 5.721,890 6.287,891 6.742,892 7.274,893 7.754,894 8.124,895 8.559,896 0.9,897 62,898 14.128,900 6.146,901 7.711,902 27.28,904 23.138,905 2.211,906 84,910 353.133,911 111.506,912 94.281,914 72.29,917 111.506,918 425.423,919 94.281,920 10.883,921 66.892,922 37.905,923 125.01,924 35.791,925 13.366,926 341.362,928 353.133,929 205.787,930 72.29,933 261.292,934 155.459,935 11,937 79.431,938 73.794,939 50.234,941 353.133,942 166.57,943 111.506,946 353.133,947 53.67,948 65.861,949 36.022,950 122.524,951 353.133,952 166.57,953 111.506,955 0.583,956 0.334,957 0.179,958 0.097,959 31,960 13,961 0.08,962 6,963 1,964 1.067,965 4.883,966 388.394,967 0.067,968 30,969 185.421,974 25.349,975 11.046,976 5.752,977 1.681,978 164.794,979 9.425,980 14.688,984 3.005,985 1.983,986 36.022,987 631.209,988 53,993 24.061,997 -0.481,999 70.727,1000 79.806,1001 0.268,1002 0.618,1003 0.802,1004 0.854,1005 0.854,1006 0.854,1007 5.257,1008 1.945,1009 6.196,1010 7.051,1011 4.812,1012 5.239,1013 2.857,1014 7.024,1015 4.709,1016 6.446,1017 1.794,1018 7.764,1019 5.2,1020 4.443,1021 5.094,1022 2.2,1023 7.978,1024 4.31,1025 7.753,1026 1.489,1027 9.431,1028 4.931,1029 6.435,1030 7.397,1031 3.824,1032 11.066,1033 6.232,1034 9.092,1035 1.47,1036 11.157,1037 4.248,1038 6.868,1039 8.113,1040 3.876,1041 12.843,1042 6.629,1043 10.467,1044 1.219,1045 12.921,1046 3.713,1047 8.335,1048 9.927,1049 5.122,1050 15.469,1051 8.035,1052 11.865,1053 1.071,1054 14.712,1055 2.975,1056 9.133,1057 11.056,1058 5.498,1059 17.598,1060 8.789,1061 13.283,1062 1,1063 16.521,1064 2.844,1065 10.393,1066 12.685,1067 6.553,1068 20.076,1069 9.994,1070 3.289,1071 1,1072 18.346,1073 2.275,1074 11.368,1075 14.021,1076 7.101,1077 22.368,1078 10.92,1079 2.889,1080 11.617,1081 20.183,1082 2.275,1083 12.548,1084 15.579,1085 8.048,1086 24.805,1087 12.047,1088 2.798,1089 9.601,1090 22.031,1091 4.638,1092 13.612,1093 17.016,1094 8.696,1095 27.173,1096 13.059,1097 2.722,1098 8.931,1099 23.887,1100 3.796,1101 14.765,1102 18.551,1103 9.58,1104 29.604,1105 14.161,1106 2.702,1107 8.496,1108 25.75,1109 3.37,1110 15.875,1111 20.036,1112 10.287,1113 32.01,1114 15.217,1115 2.446,1116 7.818,1117 27.621,1118 3.171,1119 17.025,1120 21.564,1121 11.134,1122 34.444,1123 16.315,1124 2.257,1125 7.141,1126 29.497,1127 3.091,1128 18.161,1129 23.073,1130 11.875,1131 36.871,1132 17.397,1133 22230,1134 35965,1135 29.531,1136 45,1137 64.981,1138 67.359,1139 66.574,1140 64.43,1141 64.527,1142 78.843,1143 13.112,1144 188.254,1145 61.201,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 15.229,1156 1.511,1157 1.566,1158 1.548,1159 1.498,1160 1.501,1161 1.834,1162 0.305,1163 4.378,1164 1.423,1165 4.141,1166 4.193,1167 4.117,1168 3.983,1169 7.434,1170 4.009,1171 3.926,1172 3.977,1173 3.857,1174 3.81,1175 7.43,1176 3.816,1177 3.868,1178 3.917,1179 3.765,1180 3.751,1181 5.135,1182 3.744,1183 3.811,1184 3.862,1185 3.717,1186 3.642,1187 4.752,1188 3.65,1189 3.714,1190 3.771,1191 3.607,1192 3.487,1193 4.623,1194 3.505,1195 3.436,1196 3.471,1197 3.369,1198 3.146,1199 4.522,1200 3.196,1201 3.373,1202 3.413,1203 3.292,1204 3.094,1205 4.477,1206 3.14,1207 3.181,1208 3.251,1209 3.11,1210 2.941,1211 4.347,1212 2.945,1213 0.109,1214 0.087,1215 0.161,1216 0.099,1217 0.076,1218 4.693,1219 0.108,1220 3.761,1221 0.051,1222 6.903,1223 0.27,1224 4.237,1225 0.073,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.847,1238 1.797,1239 2.013,1240 2.023,1241 1.219,1242 2.021,1243 1.776,1244 1.728,1245 1.932,1246 1.962,1247 1.106,1248 1.957,1249 1.585,1250 1.536,1251 1.72,1252 1.807,1253 0.882,1254 1.78,1255 1.385,1256 1.328,1257 1.602,1258 1.683,1259 0.825,1260 1.642,1261 1.339,1262 1.291,1263 1.557,1264 1.657,1265 0.825,1266 1.628,1267 1.199,1268 1.122,1269 1.513,1270 1.521,1271 0.825,1272 1.504,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.815,1278 1.429,1279 4.466,1280 1.946,1281 5.802,1282 3.932,1283 7.335,1284 5.82,1285 8.953,1286 7.681,1287 10.618,1289 1.409,1295 7.598,1296 5.815,1297 10.456,1299 0.413,1300 3.948,1305 43.352,1306 114.838,1307 265.344,1308 344.295,1309 366.295,1310 366.295,1311 366.295,1312 64.869,1313 8.716,1314 126.74,1315 126.74,1316 32,1317 13.017,1318 4.248,1319 3.459,1320 52.913,1321 182,1322 213,1323 0.138,1324 259.804,1325 450.9,1326 625.681,1327 78309,1329 26.062,1330 0.686,1331 0.564,1332 26.062,1333 21.429,1334 18.585,1335 0.432,1336 0.306,1337 12.908,1338 17.555,1339 12.722,1340 10.404,1341 18.585,1342 13.176,1343 16.723,1344 0.274,1345 0.163,1346 16.723,1347 9.935,1348 14.197,1349 0.175,1350 0.087,1351 14.197,1352 7.012,1353 11.897,1354 0.11,1355 0.046,1356 11.897,1357 4.945,1358 9.771,1359 0.069,1360 0.024,1361 9.771,1362 3.474,1363 0.218,1364 118.554,1365 0.184,1366 34.512,1367 0.379,1368 208,1369 631.479,1370 236.362,1371 592.063,1372 814.06,1373 558,1374 249,1375 605.114,1376 278.036,1377 602.676,1378 892.75,1379 567,1380 6.18}
{0 CHEMBL563316,1 1.588,2 10.556,3 0.471,4 0.222,5 123.72,6 8.432,7 0.154,8 4.202,9 4.272,10 3.829,11 3.718,12 5.499,13 3.741,14 4.738,15 4.852,16 4.269,17 4.159,18 6.108,19 4.165,20 5.075,21 5.198,22 4.45,23 4.373,24 6.423,25 4.376,26 5.191,27 5.316,28 4.539,29 4.468,30 6.516,31 4.468,32 5.316,33 5.464,34 4.602,35 4.497,36 6.772,37 4.488,38 5.353,39 5.524,40 4.501,41 4.457,42 6.753,43 4.435,44 5.311,45 5.499,46 4.433,47 4.393,48 6.698,49 4.36,50 5.255,51 5.438,52 4.361,53 4.234,54 6.729,55 4.233,56 0.328,57 0.771,58 9.705,59 5.835,60 62.926,61 5.916,62 0.739,63 1.29,64 19.16,65 9.872,66 137.411,67 11.163,68 1.245,69 1.683,70 30.028,71 13.179,72 221.643,73 14.198,74 1.294,75 1.897,76 32.991,77 14.803,78 213.783,79 16.081,80 1.754,81 2.092,82 40.27,83 16.388,84 291.087,85 19.165,86 1.999,87 2.1,88 45.974,89 16.434,90 353.606,91 19.353,92 1.761,93 2.006,94 45.092,95 16.272,96 339.147,97 20.136,98 1.985,99 1.794,100 44.859,101 14.34,102 354.685,103 17.062,104 118,105 59,106 0.257,107 0.614,108 0.779,109 0.883,110 0.904,111 0.904,112 3.617,113 0.861,114 -1.56,115 -1.64,116 -1.67,119 42.4,120 1,121 5,123 1,125 1,127 1,136 2,138 2,142 2,143 4,154 1,156 1,157 1,158 3,167 2,170 2,172 13,173 1,174 1,175 10,176 1,178 2,180 3,183 18,184 1,186 1,187 11,190 1,191 1,192 7,195 18,198 2,199 10,200 2,204 8,207 15,208 1,211 2,212 11,215 5,217 8,220 14,221 1,223 2,224 12,225 1,227 4,229 4,232 12,233 4,236 1,237 14,240 3,242 5,243 1,245 7,246 5,249 2,250 14,251 2,253 2,254 1,255 7,256 1,258 4,259 5,262 2,263 9,266 3,267 1,268 6,269 1,271 3,272 4,275 2600,276 23.247,277 23.247,278 23.247,279 23.247,280 23.247,281 21.039,282 30.241,283 13.214,284 23.394,285 19.155,286 19.155,287 19.155,288 19.155,289 19.155,290 15.519,291 39.099,292 6.216,293 19.384,294 4.294,295 2.08,296 1.063,297 0.42,298 0.284,299 0.284,300 4.3,305 1,306 794,307 4.848,310 65.876,311 193.524,314 107.276,315 214.781,318 1.642,319 86.98,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.67,328 0.5,329 0.69,330 82.5,331 380,332 4.992,333 4.139,334 8.224,335 4.792,336 3.8,337 4.526,338 2.443,339 16.142,340 3.77,341 4.479,342 3.71,343 6.909,344 4.164,345 3.161,346 4.016,347 2.376,348 11.484,349 3.172,350 4.082,351 3.675,352 6.564,353 3.76,354 2.77,355 3.393,356 2.341,357 9.924,358 2.772,359 4.027,360 3.609,361 6.223,362 3.678,363 2.684,364 3.334,365 1.277,366 8.968,367 2.627,368 3.703,369 3.566,370 5.751,371 3.407,372 2.421,373 2.891,374 1.277,375 7.29,376 2.37,377 3.58,378 3.537,379 5.583,380 3.226,381 2.231,382 2.772,383 0.68,384 6.866,385 2.22,386 3.524,387 3.083,388 4.999,389 3.203,390 2.192,391 2.705,392 0.644,393 5.626,394 2.175,395 3.477,396 2.807,397 4.986,398 3.108,399 2.122,400 2.63,401 0.286,402 5.173,403 2.059,404 3.173,405 2.368,406 4.658,407 2.812,408 1.818,409 2.25,411 4.9,412 1.79,413 2.989,414 2.206,415 4.568,416 2.608,417 1.597,418 2.112,420 4.855,421 1.609,422 2.861,423 2.045,424 4.288,425 2.435,426 1.42,427 1.892,428 3.753,429 1.434,430 2.746,431 1.66,432 4.018,433 2.214,434 1.256,435 1.675,436 2.985,437 1.189,438 2.102,439 1.408,440 3.944,441 1.866,442 0.889,443 0.976,445 2.346,446 0.863,447 2.024,448 1.305,449 3.8,450 1.693,451 0.719,452 0.88,454 1.824,455 0.689,456 1.722,457 1.219,458 3.238,459 1.463,460 0.496,461 0.559,463 1.204,464 0.464,465 16.233,466 0.451,467 1.297,468 0.036,469 40.75,470 1.132,471 18,472 0.5,473 22.75,474 0.632,475 39.531,476 1.098,477 40.167,478 0.681,479 42.091,480 1.169,481 8.23,482 0.229,483 8.731,484 0.243,485 0.216,486 0.031,487 0.431,493 0.803,494 1.065,495 0.722,496 0.995,497 0.732,498 0.867,499 0.532,500 1.016,501 0.656,502 1.001,503 0.482,504 0.898,505 0.972,506 0.969,507 0.957,508 0.971,509 0.921,510 0.966,511 0.955,512 1.137,513 1.004,514 1.135,515 0.863,516 1.101,517 0.769,518 1.174,519 0.936,520 1.172,521 0.727,522 1.13,523 0.954,524 0.973,525 1.055,526 0.997,527 0.903,528 1.046,529 0.817,530 1.07,531 0.937,532 1.079,533 0.794,534 1.059,535 1.095,536 0.975,537 1.017,538 0.963,539 1.134,540 0.963,541 9,542 0.304,543 5.778,544 4.382,545 4.044,546 2.326,547 1.696,548 1.035,549 0.743,550 0.504,551 15292,552 59721,553 1.969,554 39,555 5,556 5,558 1,559 4,560 8,564 1.785,565 1.763,566 3.334,567 1.55,569 1,573 93.718,574 1.588,575 3.802,576 4.819,577 5.463,578 5.599,579 5.599,580 2.863,581 4.837,582 5.128,583 3.559,584 2242.1,585 9.09,586 33252.1,591 347.076,592 1.709,593 5.047,594 0.231,595 0.009,596 0.098,597 0.064,598 0.055,599 0.031,600 0.025,601 0.017,602 0.013,603 0.011,604 0.554,605 0.17,606 0.75,607 1.727,608 190.288,609 -0.118,610 0.082,611 -0.025,612 0.12,613 -0.089,614 0.09,615 0.132,616 0.095,617 0.122,618 0.081,619 0.126,620 0.098,621 -0.109,622 0.077,623 -0.094,624 0.069,625 -0.105,626 0.007,627 -0.113,628 -0.089,629 -0.146,630 -0.095,631 -0.103,632 -0.126,633 0.091,634 -0.156,635 -0.018,636 -0.158,637 0.068,638 -0.137,639 -0.03,640 0.018,641 -0.073,642 -0.015,643 -0.021,644 -0.049,645 0.04,646 -0.105,647 0.061,648 -0.086,649 0.053,650 -0.022,651 -0.047,652 -0.04,653 0.041,654 -0.009,655 -0.067,656 0.034,657 2.912,658 6.078,659 0.472,660 40.914,661 1.035,662 1.121,663 0.332,664 0.11,665 0.66,666 3.689,667 4.094,668 4.431,669 4.796,670 5.136,671 5.357,672 5.602,673 5.814,674 5.961,675 6.05,676 6.563,677 0.66,678 497.49,679 3.689,680 5.283,681 6.176,682 7.116,683 8.048,684 9.002,685 9.955,686 10.918,687 11.882,688 12.851,689 1.7,698 1,704 2,709 4,711 6,716 1,731 59,733 14,734 1,735 39,737 62,738 25,739 6,740 4,741 2,742 7,746 4,747 10,752 1,753 1,754 1,755 4,758 6,761 16,762 9,766 8,771 5,773 1,774 1,775 9,781 23,782 11,783 4,784 11,790 1,794 0.25,795 10,811 1,812 3,815 1,816 2,823 1,824 1,828 2,829 1,831 2,832 2,838 4,840 1,844 1,848 36,853 4,854 6,856 1,858 1,860 1,870 16.9,872 4,873 5,875 1,877 20.417,878 10.833,879 7.75,880 3.471,881 2.661,882 1.312,883 0.888,884 6.801,885 11.188,886 3.932,887 4.516,888 5.055,889 5.652,890 6.237,891 6.677,892 7.15,893 7.582,894 7.948,895 8.245,896 1,897 69,898 13.693,900 6.49,901 8.465,902 24.192,904 20.656,905 2.965,906 106.75,910 223.651,911 89.995,912 16.786,914 307.458,917 89.995,918 531.109,919 16.786,920 8.825,921 14.778,922 18.952,923 336.555,924 46.899,926 211.88,928 223.651,929 106.78,930 307.458,933 223.651,934 307.458,937 40.389,938 57.344,939 9.047,941 223.651,942 324.243,943 89.995,946 223.651,947 53.17,948 36.825,950 324.243,951 223.651,952 324.243,953 89.995,955 0.599,956 0.348,957 0.191,958 0.116,959 29,960 16,961 0.129,962 8,963 3,964 1.353,965 4.148,966 378.291,967 0.353,968 17,969 184.117,974 25.645,975 9.547,976 4.361,978 324.243,979 3.153,984 1.531,986 170.733,987 637.889,988 50,993 59.684,995 1.012,996 3.749,997 -5.534,999 61.094,1000 66.16,1001 0.27,1002 0.646,1003 0.819,1004 0.929,1005 0.952,1006 0.952,1007 5.244,1008 2.122,1009 6.236,1010 5.626,1011 4.779,1012 5.204,1013 3.608,1014 7.2,1015 4.758,1016 6.496,1017 1.818,1018 7.901,1019 5.173,1020 4.691,1021 5.263,1022 3.268,1023 8.591,1024 4.674,1025 7.857,1026 1.597,1027 9.683,1028 4.9,1029 6.538,1030 7.38,1031 4.899,1032 11.803,1033 6.504,1034 9.254,1035 1.42,1036 11.54,1037 4.855,1038 7.259,1039 8.211,1040 5.275,1041 14.096,1042 7.228,1043 10.686,1044 1.256,1045 13.451,1046 3.753,1047 8.685,1048 9.904,1049 6.459,1050 16.959,1051 8.643,1052 12.144,1053 0.889,1054 15.402,1055 2.985,1056 9.755,1057 11.083,1058 7.115,1059 19.575,1060 9.711,1061 13.625,1062 0.719,1063 17.384,1064 2.346,1065 11.071,1066 12.636,1067 8.127,1068 22.363,1069 11.018,1070 3.8,1071 0.496,1072 19.391,1073 1.824,1074 12.286,1075 13.978,1076 8.902,1077 25.087,1078 12.228,1079 3.161,1080 16.142,1081 21.417,1082 1.204,1083 13.586,1084 15.483,1085 9.839,1086 27.863,1087 13.52,1088 2.77,1089 11.484,1090 23.459,1091 4.526,1092 14.862,1093 16.903,1094 10.667,1095 30.623,1096 14.788,1097 2.684,1098 9.924,1099 25.513,1100 4.016,1101 16.167,1102 18.395,1103 11.571,1104 33.399,1105 16.085,1106 2.421,1107 8.968,1108 27.578,1109 3.393,1110 17.47,1111 19.853,1112 12.423,1113 36.172,1114 17.379,1115 2.231,1116 7.29,1117 29.651,1118 3.334,1119 18.784,1120 21.344,1121 13.312,1122 38.95,1123 18.685,1124 2.192,1125 6.866,1126 31.73,1127 2.891,1128 20.1,1129 22.821,1130 14.176,1131 41.728,1132 19.992,1133 15251,1134 30172,1135 24.391,1136 38.926,1137 61.249,1138 63.817,1139 64.956,1140 60.06,1141 60.029,1142 74.226,1143 22.65,1144 188.623,1145 59.278,1146 5.938,1147 6.139,1148 7.759,1149 5.852,1150 5.8,1151 7.526,1152 4.174,1153 25.079,1154 5.77,1155 25.095,1156 1.57,1157 1.636,1158 1.666,1159 1.54,1160 1.539,1161 1.903,1162 0.581,1163 4.836,1164 1.52,1165 4.134,1166 4.145,1167 4.101,1168 4.081,1169 7.478,1170 4.084,1171 3.877,1172 3.895,1173 3.826,1174 3.784,1175 7.472,1176 3.79,1177 3.702,1178 3.724,1179 3.62,1180 3.511,1181 7.433,1182 3.528,1183 3.61,1184 3.645,1185 3.538,1186 3.406,1187 7.427,1188 3.427,1189 3.487,1190 3.502,1191 3.421,1192 3.308,1193 7.425,1194 3.329,1195 3.39,1196 3.404,1197 3.324,1198 3.228,1199 6.533,1200 3.243,1201 3.274,1202 3.274,1203 3.218,1204 3.047,1205 6.392,1206 3.063,1207 3.187,1208 3.241,1209 3.051,1210 2.95,1211 6.352,1212 2.979,1213 0.128,1214 0.106,1215 0.211,1216 0.123,1217 0.097,1218 4.992,1219 0.116,1220 4.139,1221 0.063,1222 8.224,1223 0.414,1224 4.792,1225 0.097,1226 3.8,1227 4.526,1228 2.443,1229 16.142,1230 3.77,1231 2.056,1232 2.047,1233 2.12,1234 2.126,1235 1.443,1236 2.123,1237 1.758,1238 1.742,1239 1.868,1240 1.881,1241 1.145,1242 1.873,1243 1.627,1244 1.597,1245 1.825,1246 1.837,1247 1.09,1248 1.826,1249 1.537,1250 1.497,1251 1.76,1252 1.74,1253 0.993,1254 1.73,1255 1.489,1256 1.447,1257 1.678,1258 1.716,1259 0.786,1260 1.718,1261 1.325,1262 1.309,1263 1.555,1264 1.542,1265 0.723,1266 1.51,1267 1.263,1268 1.222,1269 1.457,1270 1.481,1271 0.6,1272 1.5,1273 1.081,1274 1.076,1275 1.244,1276 1.42,1277 0.328,1278 1.349,1279 4.369,1281 5.753,1282 2.398,1283 7.338,1284 4.727,1285 9.042,1286 6.823,1287 10.826,1289 1.597,1294 39.978,1295 -1.393,1297 5.578,1299 -1.193,1301 -1.413,1305 38.964,1306 93.718,1307 224.347,1308 284.347,1309 322.321,1310 330.321,1311 330.321,1312 148.356,1313 8.527,1314 187.86,1315 187.86,1316 23,1317 13.33,1318 3.907,1319 3.585,1320 61.45,1321 131,1322 172,1323 0.223,1324 235.561,1325 450.58,1326 566.528,1327 57256,1329 26.361,1330 0.732,1331 0.534,1332 26.361,1333 19.238,1334 16.961,1335 0.435,1336 0.287,1337 11.017,1338 16.143,1339 10.807,1340 8.769,1341 16.961,1342 11.197,1343 16.464,1344 0.279,1345 0.152,1346 16.464,1347 8.989,1348 13.497,1349 0.163,1350 0.082,1351 13.497,1352 6.84,1353 11.573,1354 0.096,1355 0.043,1356 11.573,1357 5.164,1358 10.143,1359 0.06,1360 0.022,1361 10.143,1362 3.754,1363 0.336,1364 108.28,1365 0.202,1366 31.894,1367 0.665,1368 196,1369 732.657,1370 221.191,1371 682.197,1372 881.26,1373 626,1374 240,1375 604.427,1376 261.82,1377 601.442,1378 888.56,1379 566,1380 7.357}
{0 CHEMBL563654,1 1.47,2 9.903,3 2.108,4 4.445,5 105.428,6 8.621,7 0.314,8 4.035,9 4.096,10 3.71,11 3.616,12 5.264,13 3.633,14 4.617,15 4.719,16 4.181,17 4.087,18 5.898,19 4.092,20 4.939,21 5.06,22 4.344,23 4.276,24 6.211,25 4.279,26 5.044,27 5.153,28 4.425,29 4.341,30 6.376,31 4.346,32 5.111,33 5.262,34 4.363,35 4.288,36 6.507,37 4.271,38 5.016,39 5.173,40 4.215,41 4.165,42 6.464,43 4.147,44 4.914,45 5.091,46 4.037,47 4.051,48 6.174,49 4.008,50 4.809,51 4.996,52 3.871,53 3.812,54 6.226,55 3.791,56 0.196,57 0.606,58 7.155,59 4.928,60 34.912,61 4.891,62 0.564,63 1.074,64 15.918,65 8.843,66 94.979,67 9.534,68 0.939,69 1.438,70 25.053,71 11.756,72 153.922,73 12.061,74 1.107,75 1.58,76 26.838,77 12.828,78 168.039,79 12.735,80 1.404,81 1.678,82 33.093,83 13.876,84 204.386,85 15.443,86 1.389,87 1.507,88 31.701,89 12.431,90 256.474,91 13.542,92 1.041,93 1.387,94 28.78,95 11.615,96 158.569,97 13.45,98 1.123,99 1.206,100 28.401,101 10.024,102 194.465,103 11.364,104 55,105 55,106 0.245,107 0.608,108 0.774,109 0.867,110 0.887,111 0.887,112 3.474,113 0.86,114 -3.13,115 -3.13,116 -3.01,119 46.9,120 1,121 5,123 1,127 1,142 2,143 6,151 1,152 1,157 3,158 2,167 1,170 1,172 13,173 1,174 1,175 12,178 1,180 1,183 18,184 1,186 1,187 15,192 1,195 18,198 2,199 17,200 2,207 15,211 3,212 14,215 2,220 14,223 4,224 12,232 12,233 2,236 2,237 11,242 2,245 7,246 3,249 2,250 11,251 1,255 3,258 4,259 3,262 1,263 6,264 1,266 1,268 3,271 3,272 2,275 1566,276 20.418,277 20.418,278 20.418,279 20.418,280 20.418,281 18.547,282 24.769,283 11.368,284 20.427,285 17.208,286 17.208,287 17.208,288 17.208,289 17.208,290 13.92,291 32.401,292 5.342,293 17.17,294 4.145,295 1.975,296 0.979,297 0.424,298 0.301,299 0.301,300 4.173,304 1,305 1,306 673,307 4.183,310 85.188,311 138.827,314 217.176,315 154.522,316 89.619,318 1.338,319 66.935,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 70,331 307,332 4.992,333 4.157,334 8.228,335 4.807,336 3.809,337 4.566,338 2.443,339 16.174,340 3.8,341 4.479,342 3.726,343 6.91,344 4.168,345 3.16,346 4.112,347 2.341,348 11.488,349 3.185,350 4.123,351 3.678,352 6.634,353 3.85,354 2.846,355 3.453,356 1.277,357 10.264,358 2.859,359 3.98,360 3.571,361 6.229,362 3.695,363 2.667,364 3.287,365 1.277,366 9.009,367 2.737,368 3.699,369 3.554,370 5.767,371 3.412,372 2.422,373 2.884,374 0.68,375 7.392,376 2.375,377 3.563,378 3.443,379 5.588,380 3.233,381 2.204,382 2.804,383 0.286,384 6.906,385 2.261,386 3.476,387 2.822,388 5.013,389 3.111,390 2.12,391 2.631,393 5.619,394 2.067,395 3.135,396 2.514,397 4.989,398 2.809,399 1.8,400 2.268,402 4.913,403 1.804,404 2.981,405 2.204,406 4.569,407 2.614,408 1.592,409 2.083,411 4.855,412 1.623,413 2.807,414 1.664,415 4.351,416 2.438,417 1.422,418 1.859,420 3.788,421 1.438,422 2.529,423 1.592,424 4.032,425 2.117,426 1.112,427 1.513,428 2.88,429 1.112,430 2.305,431 1.411,432 3.987,433 1.901,434 0.882,435 1.131,436 2.463,437 0.894,438 1.984,439 1.305,440 3.869,441 1.682,442 0.69,443 0.85,445 1.866,446 0.678,447 1.904,448 1.094,449 3.349,450 1.544,451 0.499,452 0.67,454 1.278,455 0.517,456 1.717,457 0.86,458 3.109,459 1.451,460 0.424,461 0.498,463 0.966,464 0.428,465 14.167,466 0.457,467 1.115,468 0.036,469 37.5,470 1.21,471 17.5,472 0.565,473 20,474 0.645,475 30.743,476 0.992,477 33.233,478 0.678,479 33.671,480 1.086,481 7.145,482 0.23,483 7.584,484 0.245,485 0.176,486 0.035,487 0.459,493 0.667,494 1.003,495 0.634,496 0.984,497 0.571,498 0.845,499 0.579,500 0.943,501 0.637,502 0.935,503 0.478,504 0.84,505 0.976,506 0.946,507 0.924,508 0.94,509 0.913,510 0.92,511 1.036,512 1.106,513 1.052,514 1.105,515 0.957,516 1.09,517 0.844,518 1.083,519 0.983,520 1.093,521 0.756,522 1.091,523 0.995,524 0.948,525 1.058,526 0.959,527 0.96,528 1.013,529 0.86,530 1.088,531 1.032,532 1.103,533 0.868,534 1.124,535 1.104,536 0.992,537 1.072,538 0.992,539 1.193,540 1.013,541 7.5,542 0.18,543 5.333,544 3.785,545 3.649,546 1.743,547 1.173,548 0.721,549 0.458,550 0.338,551 10791,552 38125,553 2.073,554 36.7,555 5,556 3,557 1,559 1,560 8,564 1.746,565 1.869,566 3.209,567 -0.329,568 1,569 1,573 72.02,574 1.47,575 3.639,576 4.636,577 5.191,578 5.314,579 5.314,580 2.676,581 4.632,582 4.918,583 3.381,584 1572.18,585 8.648,586 20445,588 1,590 1,591 275.121,592 1.697,593 4.846,594 0.214,595 0.01,596 0.097,597 0.06,598 0.055,599 0.03,600 0.023,601 0.017,602 0.013,603 0.013,604 0.533,605 0.33,606 0.88,607 1.444,608 155.082,609 -0.049,610 0.04,611 0.023,612 0.047,613 -0.026,614 0.057,615 0.102,616 0.078,617 0.138,618 0.085,619 0.099,620 0.115,621 -0.111,622 0.055,623 -0.051,624 0.057,625 -0.109,626 0.033,627 -0.107,628 -0.108,629 -0.181,630 -0.119,631 -0.119,632 -0.162,633 0.08,634 -0.105,635 -0.009,636 -0.11,637 0.068,638 -0.097,639 -0.007,640 0.027,641 -0.051,642 0.019,643 0.037,644 -0.019,645 0.003,646 -0.118,647 -0.021,648 -0.116,649 -0.032,650 -0.087,651 -0.061,652 -0.037,653 0.03,654 -0.025,655 -0.07,656 0.021,657 2.795,658 6.339,659 0.613,660 27.825,661 1.032,662 1.11,663 1.903,664 3.621,665 0.683,666 3.584,667 4.025,668 4.419,669 4.82,670 5.17,671 5.425,672 5.69,673 5.951,674 6.114,675 6.244,676 5.769,677 0.683,678 422.41,679 3.584,680 5.198,681 6.12,682 7.079,683 8.033,684 9.002,685 9.971,686 10.947,687 11.924,688 12.904,704 3,707 1,709 7,711 11,716 3,731 49,733 16,734 1,735 35,737 53,738 23,739 10,740 4,741 2,742 3,746 5,747 18,752 1,753 1,754 1,755 4,758 6,761 15,762 8,766 5,771 5,775 5,778 1,780 1,781 18,782 8,783 1,784 8,794 0.2,795 8,811 2,812 3,815 3,816 2,817 1,828 1,829 1,838 1,840 1,844 1,848 31,853 1,854 5,856 1,858 1,860 1,870 16.3,872 1,873 5,875 2,877 16.583,878 9.45,879 6.5,880 3.126,881 2.603,882 1.296,883 0.966,884 4.32,885 11.402,886 3.839,887 4.463,888 5.082,889 5.714,890 6.268,891 6.737,892 7.194,893 7.653,894 8.028,895 8.369,896 0.857,897 63,898 11.759,900 5.651,901 8.277,902 21.334,904 18.988,905 2.777,906 86.083,910 200.109,911 100.254,914 188.915,917 100.254,918 389.024,920 8.825,921 12.673,922 30.692,923 191.91,924 39.621,925 17.22,926 188.338,928 200.109,929 100.254,930 188.915,933 200.109,934 188.915,937 21.498,938 78.756,941 200.109,942 188.915,943 100.254,946 200.109,947 60.737,948 39.517,950 188.915,951 200.109,952 188.915,953 100.254,955 0.608,956 0.369,957 0.208,958 0.124,959 31,960 15,961 0.094,962 5,963 5,964 1.474,965 3.861,966 325.033,967 0.526,968 18,969 153.58,974 19.897,975 6.73,976 2.694,978 188.915,979 4.651,982 5.539,984 2.827,986 42.683,987 489.278,988 45.5,993 61.468,997 -2.588,999 50.571,1000 54.412,1001 0.262,1002 0.648,1003 0.826,1004 0.925,1005 0.946,1006 0.946,1007 5.163,1008 1.8,1009 6.188,1010 5.619,1011 4.71,1012 5.15,1013 3.298,1014 7.182,1015 4.716,1016 6.419,1017 1.592,1018 7.868,1019 4.913,1020 4.635,1021 5.223,1022 2.882,1023 8.595,1024 4.653,1025 7.787,1026 1.422,1027 9.663,1028 4.855,1029 6.503,1030 7.368,1031 4.547,1032 11.816,1033 6.512,1034 9.192,1035 1.112,1036 11.531,1037 3.788,1038 7.245,1039 8.241,1040 4.879,1041 14.115,1042 7.262,1043 10.633,1044 0.882,1045 13.449,1046 2.88,1047 8.681,1048 9.939,1049 6.086,1050 16.979,1051 8.691,1052 12.101,1053 0.69,1054 15.406,1055 2.463,1056 9.764,1057 11.157,1058 6.725,1059 19.596,1060 9.775,1061 13.59,1062 0.499,1063 17.391,1064 1.866,1065 11.085,1066 12.712,1067 7.749,1068 22.384,1069 11.091,1070 3.809,1071 0.424,1072 19.4,1073 1.278,1074 12.307,1075 14.083,1076 8.518,1077 25.108,1078 12.311,1079 3.16,1080 16.174,1081 21.428,1082 0.966,1083 13.61,1084 15.593,1085 9.465,1086 27.885,1087 13.608,1088 2.846,1089 11.488,1090 23.471,1091 4.566,1092 14.89,1093 17.032,1094 10.291,1095 30.646,1096 14.884,1097 2.667,1098 10.264,1099 25.526,1100 4.112,1101 16.198,1102 18.53,1103 11.202,1104 33.424,1105 16.187,1106 2.422,1107 9.009,1108 27.59,1109 3.453,1110 17.503,1111 20.002,1112 12.055,1113 36.199,1114 17.488,1115 2.204,1116 7.392,1117 29.663,1118 3.287,1119 18.82,1120 21.499,1121 12.95,1122 38.979,1123 18.8,1124 2.12,1125 6.906,1126 31.742,1127 2.884,1128 20.138,1129 22.987,1130 13.816,1131 41.758,1132 20.115,1133 10368,1134 19537,1135 22.6,1136 33.489,1137 56.345,1138 59.13,1139 59.029,1140 55.323,1141 55.298,1142 69.218,1143 16.61,1144 179.725,1145 55.555,1146 5.941,1147 6.157,1148 7.562,1149 5.869,1150 5.809,1151 7.566,1152 4.174,1153 25.117,1154 5.8,1155 18.86,1156 1.61,1157 1.689,1158 1.687,1159 1.581,1160 1.58,1161 1.978,1162 0.475,1163 5.135,1164 1.587,1165 4.167,1166 4.171,1167 4.14,1168 4.097,1169 7.475,1170 4.105,1171 3.91,1172 3.921,1173 3.866,1174 3.816,1175 7.435,1176 3.826,1177 3.715,1178 3.732,1179 3.636,1180 3.517,1181 7.428,1182 3.537,1183 3.519,1184 3.535,1185 3.443,1186 3.366,1187 7.425,1188 3.372,1189 3.477,1190 3.498,1191 3.409,1192 3.307,1193 7.424,1194 3.33,1195 3.262,1196 3.265,1197 3.218,1198 3.057,1199 6.351,1200 3.058,1201 3.19,1202 3.236,1203 3.036,1204 2.945,1205 5.007,1206 2.982,1207 3.099,1208 3.118,1209 3.017,1210 2.888,1211 4.633,1212 2.925,1213 0.143,1214 0.119,1215 0.235,1216 0.137,1217 0.109,1218 4.992,1219 0.13,1220 4.157,1221 0.07,1222 8.228,1223 0.462,1224 4.807,1225 0.109,1226 3.809,1227 4.566,1228 2.443,1229 16.174,1230 3.8,1231 2.033,1232 2.025,1233 2.099,1234 2.101,1235 1.426,1236 2.098,1237 1.743,1238 1.728,1239 1.865,1240 1.883,1241 1.144,1242 1.872,1243 1.62,1244 1.589,1245 1.819,1246 1.813,1247 1.09,1248 1.809,1249 1.538,1250 1.501,1251 1.759,1252 1.719,1253 0.992,1254 1.73,1255 1.382,1256 1.372,1257 1.58,1258 1.607,1259 0.731,1260 1.575,1261 1.241,1262 1.219,1263 1.394,1264 1.462,1265 0.567,1266 1.45,1267 1.155,1268 1.121,1269 1.361,1270 1.441,1271 0.386,1272 1.396,1273 1.007,1274 0.997,1275 1.197,1276 1.292,1277 0.315,1278 1.276,1279 4.263,1281 5.673,1282 3.045,1283 7.288,1284 5.416,1285 9.018,1286 7.564,1287 10.822,1289 1.793,1294 8.838,1295 -0.081,1297 5.623,1299 -0.938,1301 -1.047,1305 33.46,1306 72.02,1307 178.334,1308 227.147,1309 254.366,1310 260.366,1311 260.366,1312 94.076,1313 8.799,1314 127.95,1315 127.95,1316 28,1317 13.375,1318 4.087,1319 3.524,1320 43.257,1321 102,1322 137,1323 0.208,1324 197.123,1325 366.78,1326 472.741,1327 80112,1329 22.077,1330 0.712,1331 0.537,1332 22.077,1333 16.65,1334 14.729,1335 0.421,1336 0.287,1337 9.893,1338 14.071,1339 9.704,1340 7.835,1341 14.729,1342 10.038,1343 14.522,1344 0.264,1345 0.151,1346 14.522,1347 8.322,1348 12.752,1349 0.156,1350 0.081,1351 12.752,1352 6.65,1353 11.396,1354 0.093,1355 0.042,1356 11.396,1357 5.131,1358 10.059,1359 0.057,1360 0.021,1361 10.059,1362 3.754,1363 0.311,1364 93.563,1365 0.21,1366 27.968,1367 0.626,1368 180,1369 632.298,1370 200.814,1371 585.764,1372 774.85,1373 542,1374 227,1375 548.939,1376 246.379,1377 544.747,1378 816.17,1379 515,1380 7.699}
{0 CHEMBL563985,1 1.662,2 13.278,3 1.099,4 1.208,5 131.701,6 7.494,7 0.4,8 4.312,9 4.44,10 3.886,11 3.735,12 5.394,13 3.75,14 4.892,15 5.083,16 4.251,17 4.139,18 5.972,19 4.13,20 5.111,21 5.33,22 4.326,23 4.305,24 6.112,25 4.269,26 5.202,27 5.429,28 4.313,29 4.336,30 6.259,31 4.292,32 5.154,33 5.372,34 4.293,35 4.36,36 6.161,37 4.301,38 5.168,39 5.396,40 4.28,41 4.362,42 6.125,43 4.291,44 5.154,45 5.393,46 4.247,47 4.327,48 6.112,49 4.254,50 5.124,51 5.35,52 4.209,53 4.333,54 6.122,55 4.238,56 0.127,57 1.042,58 13.892,59 5.188,60 9.534,61 7.364,62 0.812,63 1.62,64 28.907,65 8.372,66 50.995,67 12.49,68 0.645,69 1.936,70 36.65,71 10.527,72 49.435,73 16.377,74 0.977,75 2.01,76 41.669,77 11.168,78 89.79,79 16.879,80 0.719,81 1.991,82 38.463,83 11.793,84 71.556,85 17.724,86 0.726,87 2.041,88 38.78,89 11.713,90 53.917,91 18.13,92 0.802,93 1.948,94 39.022,95 11.366,96 58.272,97 17.916,98 0.687,99 1.879,100 36.95,101 13.309,102 62.904,103 19.234,104 26,105 56,106 0.263,107 0.612,108 0.79,109 0.818,110 0.818,111 0.818,112 3.616,113 0.905,114 -3.49,115 -3.46,116 -3.31,119 36.4,121 2,124 2,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 11,178 2,179 1,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 14,204 3,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 4,236 5,237 3,245 4,249 6,250 5,253 4,255 1,258 4,263 6,266 1,275 2646,276 24.825,277 24.825,278 24.825,279 24.825,280 24.825,281 22.807,282 33.726,283 14.538,284 25.682,285 19.617,286 19.617,287 19.617,288 19.617,289 19.617,290 16.257,291 43.318,292 6.756,293 20.809,294 4.383,295 2.177,296 1.053,297 0.871,298 0.871,299 0.871,300 4.323,305 1,306 1033,307 3.742,310 85.39,311 429.936,314 153.375,318 2.006,319 38.186,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 80,331 478,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.54,343 6.331,344 3.838,345 2.888,346 3.796,347 1.656,348 9.601,349 2.762,350 4.015,351 3.377,352 6.107,353 3.748,354 2.783,355 3.37,356 0.86,357 8.93,358 2.664,359 3.91,360 3.028,361 6.011,362 3.631,363 2.706,364 3.162,365 0.8,366 8.496,367 2.493,368 3.815,369 2.822,370 5.562,371 3.484,372 2.524,373 3.091,374 0.655,375 7.325,376 2.416,377 3.461,378 2.549,379 5.464,380 3.218,381 2.263,382 2.689,383 0.247,384 7.085,385 2.149,386 3.401,387 2.396,388 4.794,389 3.029,390 2.044,391 2.498,392 0.13,393 5.327,394 2,395 2.996,396 2.302,397 4.775,398 2.721,399 1.795,400 2.165,402 4.931,403 1.656,404 2.957,405 2.075,406 4.413,407 2.441,408 1.494,409 2.048,411 4.252,412 1.412,413 2.701,414 1.535,415 4.24,416 2.393,417 1.473,418 1.723,420 3.713,421 1.339,422 2.5,423 1.528,424 3.96,425 2.108,426 1.22,427 1.5,428 2.975,429 1.075,430 2.495,431 1.461,432 3.759,433 2.02,434 1.072,435 1.486,436 2.844,437 1.012,438 2.327,439 1.256,440 3.424,441 2,442 1,443 1.299,445 2.275,446 1,447 2,448 1.114,449 3.414,450 1.984,451 1,452 1,454 2.275,455 0.983,456 2,457 1.096,458 3.414,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.533,466 0.459,467 0.777,468 0.022,469 43.75,470 1.215,471 18,472 0.5,473 25.75,474 0.715,475 34.172,476 0.949,477 40.467,478 0.613,479 37.521,480 1.042,481 8.782,482 0.244,483 8.785,484 0.244,485 0.101,487 0.345,493 0.813,494 1.678,495 0.759,496 1.325,497 0.567,498 1.067,499 0.921,500 1.04,501 0.888,502 0.863,503 0.563,504 0.864,505 0.951,506 1.236,507 0.921,508 1.025,509 0.765,510 0.964,511 1.24,512 0.903,513 1.098,514 0.862,515 1.404,516 0.93,517 0.979,518 1.127,519 1.014,520 1.028,521 1.044,522 1.026,523 0.775,524 1.14,525 1.036,526 1.099,527 0.686,528 1.106,529 0.724,530 1.024,531 0.984,532 0.998,533 0.495,534 1.018,535 0.499,536 0.988,537 0.959,538 1.229,539 0.459,540 1.2,541 6.5,542 0.368,543 4.444,544 1.91,545 1.685,546 1.587,547 1.054,548 0.514,549 0.338,550 0.357,551 19045,552 54368,553 2.12,554 45.5,556 23,558 1,559 2,562 4,564 1.779,565 2,566 3.641,567 0.259,573 109.684,574 1.662,575 3.868,576 4.991,577 5.173,578 5.173,579 5.173,580 3.128,581 4.781,582 5.13,583 3.836,584 2416.56,585 9.056,586 38061,591 398.93,592 1.352,593 5.109,594 0.162,595 0.01,596 0.079,597 0.032,598 0.029,599 0.027,600 0.019,601 0.01,602 0.007,603 0.008,604 0.383,605 0.33,606 0.63,607 1.103,608 195.342,609 -0.036,610 -0.363,611 0.077,612 -0.183,613 -0.007,614 -0.053,615 0.105,616 0.112,617 0.055,618 0.138,619 0.116,620 0.088,621 -0.089,622 -0.146,623 0.02,624 -0.017,625 0.003,626 0.02,627 -0.195,628 0.154,629 -0.118,630 0.093,631 -0.194,632 0.016,633 -0.123,634 -0.054,635 -0.078,636 0.004,637 -0.14,638 -0.024,639 -0.033,640 -0.042,641 -0.111,642 -0.086,643 -0.067,644 -0.11,645 0.03,646 0.046,647 -0.044,649 0.033,650 -0.024,651 0.189,652 0.071,653 -0.046,654 -0.154,655 0.154,656 -0.155,657 1.965,658 4.912,659 0.75,660 46.5,661 1.013,662 1.142,663 2.257,664 5.096,665 0.64,666 3.714,667 4.043,668 4.357,669 4.635,670 4.92,671 5.106,672 5.361,673 5.557,674 5.717,675 5.897,676 7.676,677 0.619,678 494.62,679 3.714,680 5.263,681 6.129,682 7.015,683 7.902,684 8.8,685 9.698,686 10.603,687 11.509,688 12.42,689 12.1,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 66,733 18,734 1,735 40,737 70,738 24,739 11,740 2,741 4,746 5,747 6,751 1,755 3,758 3,761 13,762 11,766 2,771 2,775 2,781 30,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 2,848 36,854 8,855 2,856 2,858 1,859 2,870 6.1,873 2,874 1,875 1,877 18,878 12.367,879 8.028,880 3.979,881 3.172,882 1.373,883 0.977,884 7.554,885 11.676,886 3.932,887 4.497,888 5.091,889 5.694,890 6.272,891 6.732,892 7.264,893 7.744,894 8.11,895 8.538,896 1,897 60,898 13.335,900 5.678,901 7.769,902 25.488,904 20.957,905 2.269,906 81.667,910 329.591,911 114.833,912 94.281,914 72.29,917 114.833,918 401.88,919 94.281,920 19.279,921 61.822,922 37.905,923 125.01,924 35.791,925 13.366,926 317.82,928 329.591,929 209.114,930 72.29,933 284.834,934 108.374,935 11,937 74.362,938 82.19,939 50.234,941 329.591,942 166.57,943 114.833,946 329.591,947 48.601,948 74.257,949 36.022,950 122.524,951 329.591,952 166.57,953 114.833,955 0.578,956 0.346,957 0.181,958 0.1,959 27,960 12,961 0.071,962 5,963 1,964 1.074,965 4.575,966 358.297,967 0.074,968 27,969 174.117,974 24.746,975 10.989,976 5.289,977 1.666,978 164.794,979 9.28,980 14.606,984 2.936,985 1.973,986 36.022,987 610.995,988 50,993 23.546,997 -0.579,999 66.843,1000 75.391,1001 0.275,1002 0.64,1003 0.826,1004 0.856,1005 0.856,1006 0.856,1007 5.187,1008 1.795,1009 6.111,1010 5.327,1011 4.727,1012 5.185,1013 2.857,1014 6.94,1015 4.618,1016 6.372,1017 1.494,1018 7.68,1019 4.931,1020 4.29,1021 5.017,1022 2.2,1023 7.881,1024 4.143,1025 7.677,1026 1.473,1027 9.349,1028 4.252,1029 6.337,1030 7.361,1031 3.824,1032 10.999,1033 6.124,1034 9.02,1035 1.22,1036 11.079,1037 3.713,1038 6.746,1039 8.079,1040 3.876,1041 12.786,1042 6.49,1043 10.399,1044 1.072,1045 12.848,1046 2.975,1047 8.236,1048 9.907,1049 5.122,1050 15.424,1051 7.922,1052 11.803,1053 1,1054 14.644,1055 2.844,1056 9.031,1057 11.041,1058 5.498,1059 17.565,1060 8.668,1061 13.227,1062 1,1063 16.459,1064 2.275,1065 10.302,1066 12.675,1067 6.553,1068 20.051,1069 9.887,1070 3.289,1071 1,1072 18.291,1073 2.275,1074 11.283,1075 14.014,1076 7.101,1077 22.351,1078 10.816,1079 2.888,1080 11.617,1081 20.134,1082 2.136,1083 12.471,1084 15.575,1085 8.048,1086 24.792,1087 11.953,1088 2.783,1089 9.601,1090 21.987,1091 4.638,1092 13.542,1093 17.013,1094 8.696,1095 27.165,1096 12.971,1097 2.706,1098 8.93,1099 23.849,1100 3.796,1101 14.703,1102 18.549,1103 9.58,1104 29.597,1105 14.08,1106 2.524,1107 8.496,1108 25.717,1109 3.37,1110 15.82,1111 20.035,1112 10.287,1113 32.006,1114 15.144,1115 2.263,1116 7.325,1117 27.592,1118 3.162,1119 16.976,1120 21.563,1121 11.134,1122 34.441,1123 16.249,1124 2.044,1125 7.085,1126 29.473,1127 3.091,1128 18.118,1129 23.072,1130 11.875,1131 36.868,1132 17.338,1133 18160,1134 30795,1135 27.046,1136 42.239,1137 59.989,1138 62.373,1139 62.254,1140 59.613,1141 59.69,1142 73.995,1143 13.112,1144 173.108,1145 56.419,1146 5.693,1147 5.761,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.129,1156 1.5,1157 1.559,1158 1.556,1159 1.49,1160 1.492,1161 1.85,1162 0.328,1163 4.328,1164 1.41,1165 4.14,1166 4.191,1167 4.116,1168 3.982,1169 7.434,1170 4.007,1171 3.902,1172 3.941,1173 3.845,1174 3.805,1175 7.43,1176 3.811,1177 3.818,1178 3.872,1179 3.728,1180 3.644,1181 5.135,1182 3.652,1183 3.717,1184 3.774,1185 3.609,1186 3.488,1187 4.752,1188 3.506,1189 3.549,1190 3.617,1191 3.474,1192 3.254,1193 4.623,1194 3.299,1195 3.423,1196 3.453,1197 3.333,1198 3.117,1199 4.521,1200 3.168,1201 3.228,1202 3.305,1203 3.146,1204 3,1205 4.475,1206 3.023,1207 3.111,1208 3.206,1209 2.922,1210 2.941,1211 4.206,1212 2.91,1213 0.117,1214 0.094,1215 0.173,1216 0.106,1217 0.082,1218 4.693,1219 0.116,1220 3.761,1221 0.055,1222 6.903,1223 0.29,1224 4.237,1225 0.078,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.847,1238 1.797,1239 2.013,1240 2.024,1241 1.219,1242 2.021,1243 1.776,1244 1.728,1245 1.933,1246 1.964,1247 1.105,1248 1.958,1249 1.585,1250 1.536,1251 1.727,1252 1.815,1253 0.882,1254 1.788,1255 1.424,1256 1.349,1257 1.689,1258 1.724,1259 0.825,1260 1.712,1261 1.339,1262 1.291,1263 1.602,1264 1.667,1265 0.825,1266 1.631,1267 1.2,1268 1.123,1269 1.513,1270 1.521,1271 0.688,1272 1.504,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.629,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.866,1286 6.862,1287 10.533,1289 2.977,1295 5.49,1296 5.304,1297 10.424,1299 0.114,1300 3.931,1305 40.825,1306 109.684,1307 255.278,1308 329.42,1309 341.42,1310 341.42,1311 341.42,1312 62.841,1313 8.504,1314 126.74,1315 126.74,1316 29,1317 12.936,1318 4.248,1319 3.459,1320 54.202,1321 160,1322 198,1323 0.162,1324 248.012,1325 428.66,1326 596.91,1327 58442,1329 25.07,1330 0.696,1331 0.568,1332 25.07,1333 20.437,1334 17.567,1335 0.439,1336 0.302,1337 11.795,1338 16.518,1339 11.574,1340 9.522,1341 17.567,1342 12.071,1343 15.453,1344 0.276,1345 0.157,1346 15.453,1347 8.766,1348 13.75,1349 0.179,1350 0.086,1351 13.75,1352 6.615,1353 11.163,1354 0.109,1355 0.046,1356 11.163,1357 4.642,1358 9.332,1359 0.069,1360 0.024,1361 9.332,1362 3.322,1363 0.253,1364 112.597,1365 0.192,1366 32.774,1367 0.451,1368 192,1369 615.479,1370 219.696,1371 575.787,1372 787.24,1373 542,1374 229,1375 580.55,1376 257.37,1377 578.909,1378 854.86,1379 543,1380 7}
{0 CHEMBL564099,1 1.577,2 12.121,3 1.197,4 1.432,5 125.806,6 7.153,7 0.432,8 4.257,9 4.396,10 3.801,11 3.702,12 5.28,13 3.698,14 4.843,15 5.049,16 4.163,17 4.113,18 5.829,19 4.088,20 5.081,21 5.312,22 4.22,23 4.281,24 6.012,25 4.219,26 5.156,27 5.417,28 4.196,29 4.303,30 6.084,31 4.22,32 5.091,33 5.339,34 4.206,35 4.291,36 6.021,37 4.217,38 5.043,39 5.263,40 4.21,41 4.278,42 6.003,43 4.218,44 5.062,45 5.294,46 4.144,47 4.279,48 5.982,49 4.199,50 5.078,51 5.314,52 4.046,53 4.304,54 5.963,55 4.173,56 0.06,57 1.013,58 14.139,59 4.987,60 8.836,61 7.459,62 0.503,63 1.591,64 28.232,65 8.071,66 35.066,67 12.587,68 0.485,69 1.895,70 36.499,71 10.471,72 43.033,73 16.725,74 0.616,75 1.96,76 40.326,77 11.471,78 56.976,79 18.342,80 0.446,81 1.882,82 37.114,83 11.172,84 49.819,85 17.758,86 0.445,87 1.889,88 34.457,89 9.956,90 41.287,91 15.808,92 0.56,93 1.856,94 35.623,95 10.334,96 43.821,97 16.494,98 0.477,99 1.822,100 35.848,101 13.26,102 49.49,103 19.405,104 13,105 52,106 0.252,107 0.597,108 0.765,109 0.811,110 0.811,111 0.811,112 3.532,113 0.931,114 -3.98,115 -3.93,116 -3.73,119 36.5,121 2,124 2,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 4,174 3,175 11,178 2,179 1,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 10,204 3,207 3,211 2,212 8,217 2,220 2,223 1,224 12,227 2,229 1,232 4,236 3,237 3,245 4,249 4,250 3,253 4,255 1,258 4,263 6,266 1,275 1980,276 22.748,277 22.748,278 22.748,279 22.748,280 22.748,281 20.86,282 31.856,283 13.401,284 23.442,285 18.228,286 18.228,287 18.228,288 18.228,289 18.228,290 15.164,291 42.977,292 6.343,293 19.286,294 4.401,295 2.248,296 1.199,297 0.913,298 0.913,299 0.913,300 4.242,304 1,305 1,306 876,307 3.162,310 75.424,311 381.029,314 134.99,318 1.715,319 27.226,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 72,331 400,332 4.693,333 3.54,334 6.903,335 4.237,336 3.288,337 4.638,338 1.656,339 11.616,340 3.12,341 4.184,342 3.379,343 6.328,344 3.818,345 2.86,346 3.796,347 0.86,348 9.592,349 2.757,350 3.994,351 3.044,352 6.107,353 3.723,354 2.767,355 3.368,356 0.8,357 8.93,358 2.632,359 3.815,360 2.827,361 5.587,362 3.485,363 2.527,364 3.16,365 0.8,366 7.334,367 2.416,368 3.529,369 2.709,370 5.464,371 3.378,372 2.441,373 2.689,374 0.247,375 7.203,376 2.278,377 3.452,378 2.465,379 5.042,380 3.07,381 2.131,382 2.586,384 5.987,385 2.012,386 3.223,387 2.359,388 4.783,389 3.014,390 2.036,391 2.274,393 5.327,394 1.957,395 2.964,396 2.125,397 4.721,398 2.637,399 1.724,400 2.165,402 4.775,403 1.571,404 2.89,405 1.544,406 4.412,407 2.439,408 1.487,409 1.951,411 4.247,412 1.411,413 2.53,414 1.534,415 4.062,416 2.155,417 1.258,418 1.541,420 3.145,421 1.122,422 2.5,423 1.256,424 3.759,425 2.043,426 1.098,427 1.5,428 2.884,429 1.032,430 2.385,431 1.122,432 3.424,433 2,434 1,435 1.374,436 2.275,437 1,438 2.008,439 1.097,440 3.414,441 1.984,442 1,443 1,445 2.275,446 0.983,447 2,448 1.077,449 3.414,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.62,460 0.698,461 0.886,463 1.892,464 0.641,465 15.367,466 0.466,467 0.725,468 0.022,469 40,470 1.212,471 16.5,472 0.5,473 23.5,474 0.712,475 31.073,476 0.942,477 36.833,478 0.585,479 32.111,480 0.973,481 7.841,482 0.238,483 8.278,484 0.251,485 0.087,487 0.338,493 0.842,494 1.657,495 0.805,496 1.291,497 0.611,498 1.073,499 1.087,500 1.066,501 0.923,502 0.889,503 0.626,504 0.875,505 1.078,506 1.202,507 0.99,508 1.017,509 0.859,510 0.99,511 0.904,512 0.919,513 0.952,514 0.896,515 0.998,516 0.917,517 0.829,518 1.068,519 0.855,520 0.937,521 0.905,522 0.897,523 1.077,524 1.173,525 1.106,526 1.089,527 0.915,528 1.086,529 0.995,530 1.058,531 1.141,532 1.046,533 0.694,534 1.09,535 0.501,536 1.005,537 1.074,538 1.291,539 0.501,540 1.283,541 6,542 0.269,543 3.778,544 1.66,545 1.605,546 1.434,547 0.973,548 0.461,549 0.276,550 0.303,551 15020,552 36730,553 2.15,554 47.6,556 23,558 1,559 2,562 4,564 1.758,565 2.041,566 3.514,567 0.252,569 1,573 99.32,574 1.577,575 3.729,576 4.779,577 5.064,578 5.064,579 5.064,580 3.037,581 4.271,582 5.007,583 3.693,584 1950.12,585 8.809,586 28489.1,588 1,591 376.569,592 1.301,593 4.989,594 0.162,595 0.009,596 0.073,597 0.031,598 0.031,599 0.027,600 0.018,601 0.009,602 0.006,603 0.008,604 0.374,605 0.33,606 0.88,607 0.926,608 173.328,610 -0.34,611 0.085,612 -0.154,613 0.005,614 -0.041,615 0.016,616 0.095,617 0.047,618 0.11,619 0.102,620 0.085,621 -0.098,622 -0.126,623 -0.023,624 -0.013,625 0.003,626 -0.009,627 -0.017,628 0.115,629 0.023,630 0.073,631 -0.032,632 0.057,633 -0.004,634 -0.026,635 0.102,636 0.078,637 -0.021,638 0.106,639 -0.145,640 -0.028,641 -0.153,642 -0.088,643 -0.121,644 -0.114,645 -0.089,646 0.054,647 -0.187,648 -0.046,649 -0.084,650 -0.112,651 0.164,652 0.049,653 -0.156,654 -0.206,655 0.096,656 -0.234,657 1.919,658 4.605,659 0.818,660 37.636,661 1.003,662 1.142,663 2.751,664 7.565,665 0.64,666 3.638,667 3.97,668 4.277,669 4.575,670 4.875,671 5.043,672 5.283,673 5.485,674 5.642,675 5.793,676 7.016,677 0.609,678 450.61,679 3.638,680 5.187,681 6.052,682 6.94,683 7.828,684 8.727,685 9.627,686 10.534,687 11.442,688 12.355,689 12.7,692 1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 63,733 17,734 1,735 37,737 67,738 23,739 11,740 2,741 4,746 5,747 6,751 1,755 3,758 3,761 12,762 11,766 1,771 1,775 1,778 1,781 30,782 9,783 2,784 10,790 8,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,836 1,839 1,840 4,844 2,848 33,854 8,855 2,856 1,858 1,859 2,870 3.2,873 1,874 1,877 16.167,878 11.783,879 7.25,880 3.879,881 3.127,882 1.378,883 0.992,884 6.558,885 11.408,886 3.85,887 4.428,888 5.035,889 5.667,890 6.257,891 6.715,892 7.244,893 7.723,894 8.082,895 8.495,896 1,897 54,898 12.223,900 5.195,901 7.606,902 23.801,904 19.825,905 2.106,906 69.5,910 329.591,911 105.584,912 94.281,914 36.145,917 105.584,918 365.736,919 94.281,920 16.793,921 58.698,922 37.905,923 99.865,924 27.916,925 6.604,926 317.82,928 329.591,929 199.865,930 36.145,933 284.834,934 72.229,935 11,937 74.362,938 72.941,939 50.234,941 329.591,942 130.426,943 105.584,946 329.591,947 41.839,948 71.77,949 36.022,950 86.379,951 329.591,952 130.426,953 105.584,955 0.579,956 0.34,957 0.182,958 0.106,959 26,960 11,961 0.06,962 4,963 1,964 1.074,965 4.358,966 321.434,967 0.074,968 27,969 154.465,974 22.232,975 9.735,976 4.728,977 1.862,978 128.649,979 9.512,980 14.724,984 3.171,985 2.096,986 36.022,987 565.601,988 46,993 11.605,997 -0.253,999 63.189,1000 71.972,1001 0.264,1002 0.624,1003 0.799,1004 0.847,1005 0.847,1006 0.847,1007 5.106,1008 1.724,1009 6.033,1010 5.327,1011 4.654,1012 5.115,1013 2.219,1014 6.858,1015 4.549,1016 6.29,1017 1.487,1018 7.595,1019 4.775,1020 4.205,1021 4.934,1022 1.404,1023 7.781,1024 4.057,1025 7.593,1026 1.258,1027 9.258,1028 4.247,1029 6.256,1030 7.304,1031 2.581,1032 10.91,1033 6.051,1034 8.934,1035 1.098,1036 10.982,1037 3.145,1038 6.648,1039 8.019,1040 2.382,1041 12.698,1042 6.4,1043 10.312,1044 1,1045 12.747,1046 2.884,1047 8.147,1048 9.866,1049 3.295,1050 15.349,1051 7.847,1052 11.717,1053 1,1054 14.54,1055 2.275,1056 8.933,1057 11.005,1058 3.421,1059 17.5,1060 8.586,1061 13.144,1062 1,1063 16.356,1064 2.275,1065 10.212,1066 12.651,1067 4.17,1068 19.998,1069 9.815,1070 3.288,1071 0.698,1072 18.188,1073 2.136,1074 11.192,1075 13.995,1076 4.467,1077 22.308,1078 10.744,1079 2.86,1080 11.616,1081 20.034,1082 1.892,1083 12.386,1084 15.562,1085 5.115,1086 24.758,1087 11.889,1088 2.767,1089 9.592,1090 21.891,1091 4.638,1092 13.461,1093 17.004,1094 5.504,1095 27.138,1096 12.911,1097 2.527,1098 8.93,1099 23.758,1100 3.796,1101 14.628,1102 18.542,1103 6.092,1104 29.577,1105 14.027,1106 2.441,1107 7.334,1108 25.632,1109 3.368,1110 15.75,1111 20.03,1112 6.531,1113 31.99,1114 15.095,1115 2.131,1116 7.203,1117 27.512,1118 3.16,1119 16.913,1120 21.56,1121 7.084,1122 34.429,1123 16.205,1124 2.036,1125 5.987,1126 29.399,1127 2.689,1128 18.06,1129 23.07,1130 7.551,1131 36.859,1132 17.299,1133 14179,1134 22330,1135 25.255,1136 40.33,1137 55.726,1138 56.897,1139 57.207,1140 55.411,1141 55.434,1142 68.716,1143 8.726,1144 160.475,1145 52.493,1146 5.693,1147 5.54,1148 6.705,1149 5.34,1150 5.288,1151 7.638,1152 2.912,1153 19.164,1154 5.12,1155 13.966,1156 1.506,1157 1.538,1158 1.546,1159 1.498,1160 1.498,1161 1.857,1162 0.236,1163 4.337,1164 1.419,1165 4.139,1166 4.191,1167 4.115,1168 3.982,1169 7.431,1170 4.007,1171 3.901,1172 3.942,1173 3.844,1174 3.805,1175 5.135,1176 3.811,1177 3.809,1178 3.872,1179 3.699,1180 3.644,1181 4.752,1182 3.647,1183 3.711,1184 3.773,1185 3.593,1186 3.487,1187 4.623,1188 3.504,1189 3.548,1190 3.616,1191 3.468,1192 3.254,1193 4.49,1194 3.298,1195 3.299,1196 3.384,1197 3.21,1198 3.056,1199 4.314,1200 3.077,1201 3.158,1202 3.243,1203 3.007,1204 2.964,1205 4.204,1206 2.964,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.004,1212 2.91,1213 0.127,1214 0.096,1215 0.187,1216 0.115,1217 0.089,1218 4.693,1219 0.125,1220 3.54,1221 0.045,1222 6.903,1223 0.314,1224 4.237,1225 0.084,1226 3.288,1227 4.638,1228 1.656,1229 11.616,1230 3.12,1231 1.956,1232 1.924,1233 2.058,1234 2.104,1235 1.415,1236 2.087,1237 1.851,1238 1.798,1239 2.018,1240 2.024,1241 1.219,1242 2.027,1243 1.778,1244 1.728,1245 1.933,1246 1.964,1247 1.105,1248 1.958,1249 1.586,1250 1.536,1251 1.731,1252 1.814,1253 0.889,1254 1.791,1255 1.424,1256 1.349,1257 1.69,1258 1.721,1259 0.825,1260 1.713,1261 1.336,1262 1.245,1263 1.602,1264 1.632,1265 0.825,1266 1.614,1267 1.153,1268 1.064,1269 1.513,1270 1.384,1271 0.738,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.688,1278 1.429,1279 4.317,1281 5.645,1282 2.398,1283 7.174,1284 4.727,1285 8.792,1286 6.862,1287 10.46,1289 3.754,1295 7.173,1296 5.341,1297 5.562,1299 0.332,1300 4.62,1305 38.396,1306 99.32,1307 234.917,1308 301.059,1309 319.059,1310 319.059,1311 319.059,1312 48.931,1313 8.281,1314 100.44,1315 100.44,1316 29,1317 12.87,1318 4.17,1319 3.322,1320 47.559,1321 136,1322 170,1323 0.17,1324 233.355,1325 396.42,1326 561.146,1327 44133,1329 22.786,1330 0.69,1331 0.579,1332 22.786,1333 19.121,1334 16.119,1335 0.436,1336 0.31,1337 11.251,1338 15.273,1339 11.007,1340 9.07,1341 16.119,1342 11.478,1343 14.412,1344 0.277,1345 0.166,1346 14.412,1347 8.613,1348 12.545,1349 0.177,1350 0.09,1351 12.545,1352 6.406,1353 10.402,1354 0.108,1355 0.046,1356 10.402,1357 4.459,1358 8.949,1359 0.069,1360 0.025,1361 8.949,1362 3.274,1363 0.263,1364 102.334,1365 0.199,1366 30.382,1367 0.479,1368 178,1369 504.007,1370 199.606,1371 480.442,1372 667.84,1373 454,1374 212,1375 502.312,1376 235.219,1377 503.734,1378 744.5,1379 474,1380 6.676}
{0 CHEMBL564404,1 1.691,2 14.816,3 1.207,4 1.457,5 136.044,6 7.618,7 0.381,8 4.361,9 4.477,10 3.942,11 3.768,12 5.467,13 3.793,14 4.941,15 5.116,16 4.3,17 4.165,18 6.063,19 4.165,20 5.161,21 5.375,22 4.368,23 4.328,24 6.184,25 4.297,26 5.228,27 5.449,28 4.368,29 4.355,30 6.303,31 4.322,32 5.198,33 5.405,34 4.359,35 4.377,36 6.315,37 4.333,38 5.199,39 5.419,40 4.33,41 4.387,42 6.183,43 4.327,44 5.188,45 5.415,46 4.318,47 4.376,48 6.184,49 4.312,50 5.204,51 5.424,52 4.278,53 4.392,54 6.241,55 4.3,56 0.193,57 1.051,58 14.286,59 5.651,60 15.587,61 7.605,62 1.005,63 1.637,64 30.178,65 8.906,66 67.691,67 12.789,68 0.93,69 1.969,70 38.85,71 11.059,72 68.851,73 16.906,74 1.09,75 2.043,76 42.408,77 11.518,78 96.542,79 17.154,80 1.049,81 2.014,82 40.283,83 12.054,84 113.558,85 17.703,86 0.9,87 2.078,88 39.843,89 12.047,90 67.18,91 18.228,92 0.883,93 2.03,94 39.488,95 11.941,96 63.648,97 18.401,98 0.88,99 1.977,100 40.032,101 14.335,102 78.641,103 20.557,104 28,105 58,106 0.265,107 0.6,108 0.77,109 0.829,110 0.829,111 0.829,112 3.668,113 0.902,114 -2.98,115 -2.99,116 -2.88,119 36.2,121 2,124 1,125 8,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 7,175 11,178 2,180 2,183 5,186 2,187 6,190 1,192 2,195 2,198 6,199 16,204 1,207 3,211 2,212 10,215 1,216 1,220 2,223 3,224 13,227 2,232 4,236 5,237 3,242 2,245 4,249 8,250 5,253 2,255 3,258 4,263 6,266 1,268 1,275 3102,276 26.239,277 26.239,278 26.239,279 26.239,280 26.239,281 24.221,282 33.686,283 15.662,284 27.205,285 20.655,286 20.655,287 20.655,288 20.655,289 20.655,290 17.318,291 43.405,292 7.333,293 22.076,294 4.418,295 2.285,296 1.199,297 0.823,298 0.823,299 0.823,300 4.375,306 1213,307 4,310 93.386,311 465.448,314 167.163,318 2.184,319 46.378,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.5,328 0.5,329 0.66,330 85.5,331 563,332 4.693,333 3.761,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.652,343 6.331,344 3.838,345 2.888,346 3.796,347 2.186,348 9.601,349 2.761,350 4.015,351 3.377,352 6.107,353 3.747,354 2.784,355 3.37,356 0.86,357 8.93,358 2.663,359 3.91,360 3.028,361 6.011,362 3.631,363 2.706,364 3.163,365 0.8,366 8.496,367 2.493,368 3.819,369 2.823,370 5.562,371 3.481,372 2.534,373 3.091,374 0.655,375 7.354,376 2.39,377 3.477,378 2.551,379 5.47,380 3.218,381 2.264,382 2.707,383 0.366,384 7.087,385 2.148,386 3.403,387 2.403,388 4.828,389 3.04,390 2.087,391 2.499,392 0.13,393 5.521,394 1.967,395 2.996,396 2.302,397 4.786,398 2.721,399 1.795,400 2.169,402 4.931,403 1.656,404 2.961,405 2.075,406 4.419,407 2.456,408 1.516,409 2.049,411 4.282,412 1.421,413 2.701,414 2.025,415 4.24,416 2.394,417 1.477,418 1.723,420 3.713,421 1.339,422 2.5,423 1.535,424 3.96,425 2.282,426 1.348,427 1.5,428 2.976,429 1.241,430 2.498,431 1.528,432 3.76,433 2.107,434 1.218,435 1.49,436 2.848,437 1.074,438 2.438,439 1.461,440 3.428,441 2.018,442 1.07,443 1.416,445 2.493,446 1.01,447 2.327,448 1.256,449 3.414,450 2,451 1,452 1.299,454 2.275,455 1,456 2,457 1.191,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 17.3,466 0.455,467 0.777,468 0.02,469 45,470 1.184,471 18,472 0.474,473 27,474 0.711,475 36.852,476 0.97,477 43.3,478 0.628,479 39.8,480 1.047,481 9.1,482 0.239,483 9.467,484 0.249,485 0.087,487 0.329,493 0.847,494 1.659,495 0.752,496 1.345,497 0.662,498 1.071,499 0.938,500 1.095,501 0.916,502 0.902,503 0.631,504 0.902,505 0.895,506 1.208,507 0.909,508 0.98,509 0.695,510 0.942,511 1.093,512 0.94,513 1.051,514 0.887,515 1.186,516 0.931,517 0.968,518 1.101,519 1.026,520 0.994,521 1.033,522 1.014,523 0.792,524 1.128,525 1.03,526 1.057,527 0.723,528 1.081,529 0.657,530 1.078,531 0.976,532 1.046,533 0.468,534 1.058,535 0.511,536 1.029,537 0.961,538 1.237,539 0.512,540 1.217,541 6.5,542 0.368,543 4.444,544 2.035,545 1.765,546 1.587,547 1.054,548 0.53,549 0.371,550 0.373,551 22551,552 68664,553 2.113,554 44.9,556 24,558 1,559 2,562 4,564 1.791,565 2,566 3.768,567 0.253,573 116.65,574 1.691,575 3.824,576 4.909,577 5.286,578 5.286,579 5.286,580 3.327,581 4.774,582 5.206,583 3.965,584 2787.56,585 9.203,586 46274.7,591 421.488,592 1.324,593 5.189,594 0.155,595 0.009,596 0.077,597 0.033,598 0.029,599 0.026,600 0.018,601 0.009,602 0.007,603 0.008,604 0.37,605 0.33,606 0.63,607 1.341,608 210.903,609 -0.061,610 -0.347,611 0.068,612 -0.18,613 -0.036,614 -0.051,615 0.074,616 0.056,617 0.018,618 0.112,619 0.082,620 0.052,621 -0.055,622 -0.122,623 0.03,624 0.023,625 0.009,626 0.044,627 -0.167,628 0.141,629 -0.09,630 0.072,631 -0.154,632 0.022,633 -0.084,634 -0.017,635 -0.089,636 0.026,637 -0.057,638 -0.024,639 -0.064,640 -0.011,641 -0.115,642 -0.044,643 -0.082,644 -0.084,645 0.019,646 0.036,647 -0.063,648 -0.033,649 0.038,650 -0.054,651 0.162,652 0.035,653 -0.055,654 -0.162,655 0.123,656 -0.167,657 2.304,658 4.928,659 0.711,660 54.08,661 1.019,662 1.141,663 1.754,664 3.077,665 0.636,666 3.761,667 4.078,668 4.382,669 4.663,670 4.942,671 5.124,672 5.38,673 5.572,674 5.737,675 5.924,676 8.279,677 0.62,678 525.63,679 3.761,680 5.303,681 6.163,682 7.045,683 7.928,684 8.822,685 9.718,686 10.621,687 11.525,688 12.434,689 10.1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,727 1,731 69,733 18,734 1,735 42,737 73,738 25,739 11,740 2,741 4,746 5,747 6,752 1,755 3,758 3,761 13,762 12,766 2,771 2,775 2,781 31,782 12,783 2,784 13,790 7,794 0.8,795 6,796 1,803 1,806 1,811 1,812 4,815 1,837 1,838 1,839 1,840 4,844 1,848 38,853 1,854 10,855 1,856 3,858 1,859 2,870 8.7,871 1,873 2,874 1,875 2,877 19,878 12.483,879 8.528,880 4.141,881 3.191,882 1.37,883 0.948,884 8.588,885 11.807,886 3.97,887 4.519,888 5.104,889 5.707,890 6.279,891 6.737,892 7.269,893 7.749,894 8.117,895 8.549,896 1,897 62,898 14.091,900 6.004,901 7.86,902 26.724,904 21.87,905 2.36,906 89.667,910 341.362,911 113.516,912 76.27,914 125.973,917 113.516,918 467.335,919 76.27,920 10.883,921 48.404,922 80.588,923 125.01,924 46.791,925 15.853,926 329.591,928 341.362,929 189.786,930 125.973,933 296.605,934 119.374,935 53.683,937 60.943,938 76.281,939 50.234,941 341.362,942 202.243,943 113.516,946 341.362,947 55.68,948 65.861,949 18.011,950 176.207,951 341.362,952 202.243,953 113.516,955 0.572,956 0.338,957 0.181,958 0.1,959 27,960 12,961 0.11,962 8,963 1,964 1.074,965 4.771,966 379.892,967 0.074,968 27,969 187.421,974 26.626,975 12.257,976 6.044,977 1.61,978 200.466,979 8.985,980 14.564,984 2.681,985 1.951,986 60.694,987 657.121,988 52,993 23.73,997 -0.95,999 70.28,1000 78.727,1001 0.277,1002 0.626,1003 0.804,1004 0.865,1005 0.865,1006 0.865,1007 5.22,1008 1.795,1009 6.138,1010 5.521,1011 4.762,1012 5.207,1013 3.052,1014 6.957,1015 4.642,1016 6.395,1017 1.516,1018 7.698,1019 4.931,1020 4.29,1021 5.017,1022 2.457,1023 7.881,1024 4.133,1025 7.695,1026 1.477,1027 9.362,1028 4.282,1029 6.358,1030 7.369,1031 4.21,1032 11.005,1033 6.129,1034 9.032,1035 1.348,1036 11.087,1037 3.713,1038 6.746,1039 8.079,1040 4.307,1041 12.788,1042 6.477,1043 10.407,1044 1.218,1045 12.854,1046 2.976,1047 8.248,1048 9.909,1049 5.624,1050 15.427,1051 7.918,1052 11.809,1053 1.07,1054 14.648,1055 2.848,1056 9.033,1057 11.041,1058 6.022,1059 17.566,1060 8.658,1061 13.231,1062 1,1063 16.463,1064 2.493,1065 10.31,1066 12.676,1067 7.116,1068 20.053,1069 9.881,1070 3.289,1071 1,1072 18.293,1073 2.275,1074 11.285,1075 14.015,1076 7.673,1077 22.351,1078 10.808,1079 2.888,1080 11.617,1081 20.136,1082 2.275,1083 12.475,1084 15.575,1085 8.642,1086 24.792,1087 11.946,1088 2.784,1089 9.601,1090 21.989,1091 4.638,1092 13.544,1093 17.013,1094 9.292,1095 27.165,1096 12.964,1097 2.706,1098 8.93,1099 23.85,1100 3.796,1101 14.705,1102 18.549,1103 10.187,1104 29.598,1105 14.075,1106 2.534,1107 8.496,1108 25.718,1109 3.37,1110 15.821,1111 20.035,1112 10.892,1113 32.006,1114 15.139,1115 2.264,1116 7.354,1117 27.593,1118 3.163,1119 16.978,1120 21.563,1121 11.744,1122 34.441,1123 16.245,1124 2.087,1125 7.087,1126 29.474,1127 3.091,1128 18.119,1129 23.072,1130 12.482,1131 36.868,1132 17.334,1133 21580,1134 37765,1135 28.433,1136 43.904,1137 62.506,1138 65.231,1139 64.716,1140 62.168,1141 62.268,1142 76.582,1143 14.411,1144 178.286,1145 58.494,1146 5.693,1147 5.761,1148 6.768,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.816,1156 1.488,1157 1.553,1158 1.541,1159 1.48,1160 1.483,1161 1.823,1162 0.343,1163 4.245,1164 1.393,1165 4.14,1166 4.191,1167 4.116,1168 3.982,1169 7.436,1170 4.007,1171 3.901,1172 3.939,1173 3.844,1174 3.805,1175 7.432,1176 3.81,1177 3.817,1178 3.871,1179 3.728,1180 3.644,1181 6.456,1182 3.652,1183 3.718,1184 3.774,1185 3.609,1186 3.488,1187 5.135,1188 3.507,1189 3.587,1190 3.615,1191 3.498,1192 3.312,1193 4.755,1194 3.345,1195 3.428,1196 3.459,1197 3.341,1198 3.128,1199 4.624,1200 3.177,1201 3.313,1202 3.363,1203 3.211,1204 3.065,1205 4.523,1206 3.097,1207 3.165,1208 3.225,1209 3.083,1210 2.941,1211 4.484,1212 2.91,1213 0.112,1214 0.09,1215 0.164,1216 0.101,1217 0.078,1218 4.693,1219 0.11,1220 3.761,1221 0.053,1222 6.903,1223 0.277,1224 4.237,1225 0.074,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.955,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.847,1238 1.797,1239 2.012,1240 2.023,1241 1.219,1242 2.02,1243 1.776,1244 1.728,1245 1.932,1246 1.961,1247 1.105,1248 1.956,1249 1.584,1250 1.536,1251 1.742,1252 1.813,1253 0.948,1254 1.786,1255 1.475,1256 1.433,1257 1.715,1258 1.754,1259 0.881,1260 1.742,1261 1.339,1262 1.291,1263 1.602,1264 1.67,1265 0.825,1266 1.632,1267 1.209,1268 1.149,1269 1.513,1270 1.522,1271 0.825,1272 1.505,1273 1.153,1274 1.085,1275 1.513,1276 1.462,1277 0.63,1278 1.429,1279 4.443,1281 5.759,1282 2.398,1283 7.277,1284 4.727,1285 8.887,1286 6.862,1287 10.548,1289 1.395,1294 8.81,1295 5.012,1296 2.626,1297 15.268,1299 0.088,1300 3.896,1305 42.76,1306 116.65,1307 263.839,1308 338.733,1309 364.733,1310 364.733,1311 364.733,1312 72.208,1313 8.616,1314 144.17,1315 144.17,1316 29,1317 12.951,1318 4.248,1319 3.459,1320 58.918,1321 183,1322 248,1323 0.155,1324 258.803,1325 452.54,1326 623.239,1327 68375,1329 26.485,1330 0.697,1331 0.558,1332 26.485,1333 21.207,1334 18.567,1335 0.442,1336 0.301,1337 12.324,1338 17.382,1339 12.159,1340 9.941,1341 18.567,1342 12.63,1343 16.187,1344 0.279,1345 0.156,1346 16.187,1347 9.047,1348 14.103,1349 0.179,1350 0.085,1351 14.103,1352 6.701,1353 11.667,1354 0.111,1355 0.045,1356 11.667,1357 4.74,1358 9.695,1359 0.07,1360 0.024,1361 9.695,1362 3.351,1363 0.243,1364 119.655,1365 0.188,1366 34.465,1367 0.423,1368 200,1369 685.031,1370 231.456,1371 630.811,1372 852.96,1373 594,1374 237,1375 616.112,1376 268.301,1377 610.669,1378 903.54,1379 573,1380 6.167}
{0 CHEMBL565061,1 1.823,2 13.121,3 4.224,4 17.84,5 113.972,6 9.089,7 0.611,8 4.048,9 4.144,10 3.762,11 3.58,12 5.33,13 3.613,14 4.567,15 4.694,16 4.205,17 3.935,18 6.266,19 3.969,20 4.73,21 4.89,22 4.213,23 4.031,24 6.085,25 4.056,26 4.812,27 4.976,28 4.234,29 4.014,30 6.295,31 4.052,32 4.751,33 4.914,34 4.144,35 3.996,36 6.144,37 4.013,38 4.77,39 4.956,40 4.107,41 3.955,42 6.36,43 3.951,44 4.668,45 4.875,46 3.889,47 3.885,48 5.901,49 3.854,50 4.559,51 4.729,52 3.888,53 3.798,54 5.933,55 3.788,56 0.251,57 0.95,58 6.163,59 4.4,60 34.14,61 4.351,62 1.067,63 1.83,64 14.286,65 7.147,66 155.112,67 7.266,68 0.715,69 1.649,70 18.506,71 8.48,72 73.387,73 9.228,74 1.155,75 1.77,76 22.24,77 8.764,78 140.803,79 8.631,80 0.865,81 1.67,82 19.648,83 8.733,84 122.018,85 8.877,86 1.278,87 1.592,88 22.136,89 8.161,90 177.391,91 9.032,92 0.823,93 1.393,94 20.929,95 8.065,96 96.55,97 9.304,98 0.661,99 1.324,100 16.627,101 7.812,102 77.224,103 8.572,104 43,105 52,106 0.302,107 0.63,108 0.781,109 0.882,110 0.896,111 0.896,112 3.532,113 0.822,114 -5.27,115 -5.16,116 -4.82,119 46,120 1,125 1,132 1,142 9,143 4,144 1,145 2,152 1,158 2,161 1,166 1,172 10,174 2,175 10,178 1,180 3,183 11,186 1,187 6,192 4,195 7,198 6,199 9,204 3,207 6,212 7,215 1,217 2,220 9,224 10,227 1,232 10,236 1,237 7,240 1,242 1,245 10,249 1,250 5,258 8,262 1,263 8,266 2,271 6,275 1897,276 21.911,277 21.911,278 21.911,279 21.911,280 21.911,281 19.232,282 16.317,283 12.775,284 22.535,285 17.737,286 17.737,287 17.737,288 17.737,289 17.737,290 13.529,291 18.107,292 5.941,293 18.708,294 3.821,295 1.834,296 0.921,297 0.31,298 0.23,299 0.23,300 4.222,304 1,305 1,306 921,307 4.359,310 73.499,311 308.438,314 136.883,318 2.079,319 59.154,322 1,323 0.83,324 1,325 0.4,327 1,328 1,329 0.75,330 75.5,331 433,332 4.68,333 4.461,334 7.118,335 4.206,336 3.324,337 4.634,338 3.825,339 11.699,340 3.113,341 4.47,342 3.691,343 6.868,344 4.19,345 3.246,346 3.934,347 1.674,348 11.454,349 2.966,350 4.203,351 3.571,352 6.287,353 3.84,354 2.858,355 3.79,356 1.058,357 9.407,358 2.786,359 4.056,360 3.131,361 6.051,362 3.728,363 2.741,364 3.371,366 8.7,367 2.645,368 3.8,369 2.678,370 5.565,371 3.378,372 2.407,373 3.225,375 7.283,376 2.325,377 3.44,378 2.347,379 5.232,380 3.037,381 2.079,382 2.702,384 6.3,385 1.978,386 3.19,387 2.263,388 4.681,389 2.736,390 1.775,391 2.381,393 4.915,394 1.671,395 3.047,396 1.817,397 4.584,398 2.499,399 1.55,400 2.32,402 4.338,403 1.47,404 2.932,405 1.644,406 4.057,407 2.463,408 1.51,409 2.09,411 3.61,412 1.429,413 2.654,414 1.605,415 3.984,416 2.201,417 1.239,418 1.712,420 3.118,421 1.186,422 2.596,423 1.545,424 3.91,425 2.121,426 1.149,427 1.62,428 2.866,429 1.098,430 2.548,431 1.236,432 3.49,433 2.066,434 1.101,435 1.561,436 2.547,437 1.055,438 2.526,439 1.15,440 3.461,441 2.014,442 1,443 1.477,445 2.402,446 1.009,447 2.161,448 1.089,449 3.3,450 1.823,451 0.865,452 1.08,454 1.732,455 0.818,456 1.981,457 0.678,458 2.884,459 1.502,460 0.516,461 0.725,463 1.102,464 0.505,465 14.957,466 0.453,467 0.984,468 0.03,469 45,470 1.364,471 23.5,472 0.712,473 21.5,474 0.652,475 24.812,476 0.752,477 35.443,478 0.709,479 40.468,480 1.226,481 9.318,482 0.282,483 6.456,484 0.196,485 0.135,486 0.033,487 0.328,490 3,493 0.602,494 0.965,495 0.588,496 1.018,497 0.583,498 0.87,499 0.515,500 0.814,501 0.66,502 0.939,503 0.42,504 0.896,505 0.768,506 0.969,507 0.765,508 1.029,509 0.624,510 0.938,511 1.113,512 0.964,513 1.044,514 0.891,515 1.163,516 0.915,517 1.001,518 1.015,519 1.014,520 1.081,521 1.043,522 1.061,523 0.733,524 0.695,525 1.037,526 0.882,527 0.684,528 1.019,529 0.777,530 0.712,531 1.034,532 0.892,533 0.704,534 1.007,535 0.812,536 0.977,537 0.946,538 1.186,539 0.771,540 1.165,541 7.5,542 0.246,543 4.444,544 2.66,545 1.761,546 1.316,547 0.681,548 0.536,549 0.375,550 0.285,551 15299,552 58453,553 2.036,554 34,556 11,558 2,559 1,561 3,564 1.752,565 1.877,566 3.668,567 -0.292,569 1,573 91.154,574 1.823,575 3.81,576 4.723,577 5.334,578 5.414,579 5.414,580 3.132,581 4.9,582 5.016,583 3.846,584 2030.63,585 8.78,586 30493.1,588 1,591 282.193,592 1.628,593 4.954,594 0.208,595 0.008,596 0.085,597 0.049,598 0.033,599 0.027,600 0.015,601 0.014,602 0.01,603 0.008,604 0.459,605 0.17,606 1,607 1.151,608 175.888,609 -0.028,610 -0.058,611 0.028,612 -0.045,613 -0.086,614 -0.002,615 0.338,616 0.199,617 0.126,618 0.031,619 0.35,620 -0.011,621 -0.067,622 -0.162,623 0.081,624 -0.079,625 0.01,626 0.022,627 -0.119,628 -0.001,629 -0.116,630 0.053,631 -0.141,632 -0.002,633 -0.158,634 -0.131,635 -0.125,636 -0.12,637 -0.147,638 -0.11,639 0.126,640 0.183,641 -0.094,642 0.045,643 0.164,644 -0.068,645 -0.077,646 0.067,647 -0.079,648 0.057,649 -0.055,650 0.022,651 -0.041,652 -0.182,653 -0.03,654 -0.193,655 -0.006,656 -0.143,657 5.797,658 5.536,659 0.636,660 35.012,661 1.04,662 1.139,663 4.041,664 16.328,665 0.686,666 3.611,667 3.97,668 4.234,669 4.5,670 4.718,671 4.812,672 4.956,673 5.063,674 5.106,675 5.209,676 7.659,677 0.692,678 454.44,679 3.611,680 5.176,681 6.033,682 6.93,683 7.808,684 8.708,685 9.594,686 10.496,687 11.386,688 12.288,689 8,696 1,697 1,699 2,703 1,704 11,705 2,709 6,711 22,718 1,721 1,731 50,733 24,734 2,735 36,737 53,738 23,739 18,740 4,741 8,742 2,746 4,747 5,752 2,757 1,761 20,762 3,766 2,771 2,775 2,778 1,779 3,781 17,782 9,783 1,784 10,790 4,794 0.75,795 3,803 1,806 1,811 1,812 3,815 1,840 3,844 1,846 3,848 33,854 1,855 1,856 1,860 1,869 3,870 6,873 2,875 1,877 17.583,878 9.445,879 7.167,880 2.965,881 4.469,882 1.55,883 0.999,884 6.17,885 12.589,886 3.912,887 4.546,888 5.173,889 5.799,890 6.348,891 6.692,892 7.15,893 7.558,894 7.842,895 8.229,896 0.889,897 54,898 12.713,900 6.014,901 8.341,902 22.013,904 17.779,905 2.841,906 93.75,909 1,910 188.338,911 156.425,912 52.623,914 61.29,915 44.88,917 156.425,918 249.627,919 97.504,920 8.825,921 22.603,922 85.286,923 120.892,924 90.638,925 2.757,926 164.795,927 7.76,928 188.338,929 209.049,930 106.17,933 153.024,934 141.483,937 60.162,938 115.438,939 33.449,941 233.218,942 113.913,943 156.425,946 196.097,947 36.459,948 113.37,949 18.011,950 139.619,951 188.338,952 158.793,953 156.425,955 0.588,956 0.342,957 0.183,958 0.099,959 25,960 12,961 0.113,962 6,963 1,964 1.095,965 4.275,966 307.538,967 0.095,968 21,969 161.71,974 22.504,975 9.048,976 4.739,977 0.31,978 157.629,979 15.454,980 8.436,984 0.797,986 18.011,987 503.556,988 49,993 24.666,997 -1.221,999 51.996,1000 56.962,1001 0.323,1002 0.675,1003 0.837,1004 0.945,1005 0.959,1006 0.959,1007 5.162,1008 1.55,1009 6.061,1010 4.915,1011 4.654,1012 5.234,1013 3.356,1014 6.93,1015 4.56,1016 6.404,1017 1.51,1018 7.665,1019 4.338,1020 4.443,1021 5.139,1022 3.903,1023 8.095,1024 4.229,1025 7.739,1026 1.239,1027 9.38,1028 3.61,1029 6.344,1030 7.493,1031 5.498,1032 11.143,1033 6.141,1034 9.112,1035 1.149,1036 11.161,1037 3.118,1038 6.938,1039 8.218,1040 6.69,1041 13.1,1042 6.61,1043 10.518,1044 1.101,1045 12.983,1046 2.866,1047 8.363,1048 10.072,1049 8.072,1050 15.725,1051 8.024,1052 11.946,1053 1,1054 14.833,1055 2.547,1056 9.293,1057 11.189,1058 9.388,1059 17.974,1060 8.84,1061 13.393,1062 0.865,1063 16.703,1064 2.402,1065 10.55,1066 12.835,1067 10.737,1068 20.471,1069 10.06,1070 3.324,1071 0.516,1072 18.588,1073 1.732,1074 11.621,1075 14.15,1076 12.074,1077 22.835,1078 11.032,1079 3.246,1080 11.699,1081 20.483,1082 1.102,1083 12.819,1084 15.711,1085 13.417,1086 25.293,1087 12.175,1088 2.858,1089 11.454,1090 22.387,1091 4.634,1092 13.951,1093 17.127,1094 14.758,1095 27.703,1096 13.217,1097 2.741,1098 9.407,1099 24.299,1100 3.934,1101 15.132,1102 18.655,1103 16.1,1104 30.151,1105 14.332,1106 2.407,1107 8.7,1108 26.216,1109 3.79,1110 16.29,1111 20.122,1112 17.441,1113 32.581,1114 15.407,1115 2.079,1116 7.283,1117 28.138,1118 3.371,1119 17.469,1120 21.641,1121 18.783,1122 35.027,1123 16.514,1124 1.775,1125 6.3,1126 30.063,1127 3.225,1128 18.64,1129 23.136,1130 20.124,1131 37.467,1132 17.605,1133 14812,1134 29160,1135 23.463,1136 34.29,1137 55.737,1138 56.228,1139 56.288,1140 54.943,1141 54.72,1142 73.244,1143 13.116,1144 162.947,1145 52.103,1146 5.515,1147 6.461,1148 6.887,1149 5.277,1150 5.324,1151 7.634,1152 5.5,1153 19.221,1154 5.113,1155 19.225,1156 1.548,1157 1.562,1158 1.564,1159 1.526,1160 1.52,1161 2.035,1162 0.364,1163 4.526,1164 1.447,1165 4.137,1166 4.183,1167 4.117,1168 3.991,1169 8.513,1170 4.013,1171 3.962,1172 3.987,1173 3.926,1174 3.872,1175 7.999,1176 3.879,1177 3.841,1178 3.872,1179 3.792,1180 3.749,1181 7.999,1182 3.758,1183 3.558,1184 3.598,1185 3.473,1186 3.347,1187 7.434,1188 3.364,1189 3.418,1190 3.453,1191 3.41,1192 3.22,1193 7.428,1194 3.221,1195 3.344,1196 3.395,1197 3.219,1198 3.144,1199 5.115,1200 3.18,1201 3.2,1202 3.251,1203 3.146,1204 2.94,1205 4.728,1206 2.976,1207 3.025,1208 3.067,1209 2.939,1210 2.776,1211 4.652,1212 2.793,1213 0.13,1214 0.124,1215 0.198,1216 0.117,1217 0.092,1218 4.68,1219 0.129,1220 4.461,1221 0.106,1222 7.118,1223 0.325,1224 4.206,1225 0.086,1226 3.324,1227 4.634,1228 3.825,1229 11.699,1230 3.113,1231 1.977,1232 1.948,1233 2.055,1234 2.104,1235 1.169,1236 2.086,1237 1.91,1238 1.888,1239 1.999,1240 2.014,1241 1.106,1242 2.006,1243 1.734,1244 1.7,1245 1.83,1246 1.884,1247 0.945,1248 1.872,1249 1.531,1250 1.494,1251 1.791,1252 1.781,1253 0.881,1254 1.776,1255 1.393,1256 1.329,1257 1.538,1258 1.59,1259 0.595,1260 1.584,1261 1.236,1262 1.21,1263 1.344,1264 1.52,1265 0.352,1266 1.451,1267 1.051,1268 1.005,1269 1.204,1270 1.356,1271 0.258,1272 1.297,1273 0.946,1274 0.875,1275 1.129,1276 1.244,1277 0.186,1278 1.209,1279 4.29,1281 5.638,1282 2.398,1283 7.177,1284 4.727,1285 8.801,1286 6.862,1287 10.47,1289 1.696,1291 38.841,1295 0.212,1296 2.61,1297 5.024,1301 -4.547,1305 34.594,1306 91.154,1307 190.49,1308 236.154,1309 266.683,1310 270.683,1311 270.683,1312 82.832,1313 8.12,1314 85.59,1315 85.59,1316 23,1317 12.811,1318 4.644,1319 3.807,1320 54.475,1321 153,1322 158,1323 0.174,1324 209.452,1325 370.32,1326 502.824,1327 42295,1328 6,1329 23.587,1330 0.715,1331 0.523,1332 21.087,1333 17.258,1334 15.774,1335 0.438,1336 0.274,1337 9.659,1338 14.912,1339 9.525,1340 7.848,1341 14.563,1342 9.866,1343 14.925,1344 0.287,1345 0.134,1346 12.967,1347 6.958,1348 11.911,1349 0.175,1350 0.07,1351 10.949,1352 4.765,1353 10.04,1354 0.113,1355 0.037,1356 9.506,1357 3.259,1358 7.955,1359 0.072,1360 0.019,1361 7.429,1362 2.13,1363 0.277,1364 100.812,1365 0.206,1366 30.718,1367 0.469,1368 176,1369 772.808,1370 209.397,1371 658.504,1372 865.23,1373 610,1374 208,1375 614.964,1376 235.25,1377 598.201,1378 899.09,1379 562,1380 5}
{0 CHEMBL565389,1 1.559,2 13.559,3 2.092,4 4.375,5 130.003,6 7.04,7 0.421,8 4.297,9 4.438,10 3.827,11 3.744,12 5.309,13 3.735,14 4.887,15 5.095,16 4.203,17 4.155,18 5.866,19 4.127,20 5.126,21 5.357,22 4.216,23 4.301,24 6.056,25 4.23,26 5.167,27 5.44,28 4.164,29 4.277,30 6.084,31 4.187,32 5.05,33 5.293,34 4.177,35 4.237,36 6.033,37 4.172,38 5.029,39 5.25,40 4.216,41 4.266,42 6.026,43 4.215,44 5.078,45 5.289,46 4.145,47 4.291,48 6.072,49 4.21,50 5.122,51 5.391,52 3.958,53 4.265,54 5.981,55 4.116,56 0.05,57 1.052,58 15.073,59 5.309,60 10.202,61 7.989,62 0.467,63 1.647,64 29.785,65 8.638,66 34.703,67 13.502,68 0.547,69 1.924,70 38.818,71 11.131,72 47.906,73 17.554,74 0.566,75 1.92,76 41.292,77 11.486,78 57.425,79 18.712,80 0.505,81 1.785,82 36.043,83 10.357,84 54.136,85 16.538,86 0.412,87 1.838,88 34.518,89 9.932,90 46.508,91 15.713,92 0.572,93 1.865,94 36.378,95 10.719,96 56.876,97 16.685,98 0.503,99 1.771,100 38.88,101 13.314,102 57.197,103 20.179,104 26,105 54,106 0.247,107 0.581,108 0.758,109 0.814,110 0.814,111 0.814,112 3.561,113 0.943,114 -4.19,115 -4.13,116 -3.91,119 36.4,120 1,121 2,124 2,125 5,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 10,178 2,179 1,180 2,183 4,186 2,187 7,190 1,192 2,195 2,198 5,199 9,204 3,207 2,211 2,212 10,215 1,217 2,220 4,224 9,227 2,229 1,232 3,236 3,237 11,245 4,249 2,250 4,253 4,255 1,258 6,263 4,266 1,271 6,275 2288,276 23.143,277 23.143,278 23.143,279 23.143,280 23.143,281 21.23,282 30.388,283 13.544,284 23.806,285 18.751,286 18.751,287 18.751,288 18.751,289 18.751,290 15.658,291 39.207,292 6.44,293 19.815,294 4.485,295 2.384,296 1.265,297 0.913,298 0.913,299 0.913,300 4.267,305 1,306 1018,307 4,310 162.582,311 291.668,312 105.376,314 147.849,318 2.199,319 28.363,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 74,331 461,332 4.675,333 3.546,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.17,342 3.399,343 6.152,344 3.816,345 2.882,346 3.791,347 0.86,348 9.109,349 2.737,350 3.986,351 3.148,352 6.11,353 3.763,354 2.791,355 3.319,356 0.8,357 8.943,358 2.658,359 3.836,360 2.794,361 5.65,362 3.502,363 2.543,364 3.162,365 0.8,366 7.725,367 2.431,368 3.651,369 2.72,370 5.472,371 3.378,372 2.447,373 2.769,374 0.247,375 7.344,376 2.27,377 3.474,378 2.578,379 5.009,380 3.166,381 2.239,382 2.703,384 5.638,385 2.085,386 3.202,387 2.412,388 4.879,389 3.008,390 2.042,391 2.218,393 5.576,394 1.949,395 2.98,396 2.093,397 4.842,398 2.839,399 1.879,400 2.157,402 5.439,403 1.794,404 2.952,405 1.961,406 4.632,407 2.706,408 1.76,409 2.057,411 5.098,412 1.661,413 2.879,414 1.535,415 4.426,416 2.444,417 1.494,418 1.879,420 4.287,421 1.415,422 2.626,423 1.498,424 4.281,425 2.173,426 1.241,427 1.67,428 3.587,429 1.154,430 2.5,431 1.326,432 3.666,433 2,434 1.017,435 1.5,436 2.275,437 1,438 2.223,439 1,440 3.414,441 1.973,442 1,443 1.149,445 2.252,446 0.966,447 2.101,448 0.966,449 3.27,450 1.828,451 0.883,452 1.059,454 2.095,455 0.831,456 1.698,457 0.943,458 3.221,459 1.605,460 0.681,461 0.691,463 1.658,464 0.623,465 15.867,466 0.467,467 0.848,468 0.025,469 40.5,470 1.191,471 16.5,472 0.485,473 24,474 0.706,475 32.625,476 0.96,477 38.133,478 0.578,479 32.489,480 0.956,481 7.77,482 0.229,483 8.726,484 0.257,485 0.116,487 0.359,493 0.839,494 1.653,495 0.822,496 1.298,497 0.643,498 1.087,499 1.046,500 1.071,501 0.895,502 0.923,503 0.597,504 0.882,505 1.242,506 1.172,507 1.05,508 1.027,509 0.98,510 1.019,511 0.895,512 0.931,513 0.899,514 0.877,515 0.959,516 0.876,517 1.025,518 1.039,519 0.904,520 0.899,521 1.321,522 0.88,523 1.186,524 1.098,525 1.047,526 1.003,527 1.129,528 0.988,529 1.286,530 1.186,531 1.279,532 1.179,533 1.512,534 1.22,535 0.542,536 0.906,537 0.983,538 1.12,539 0.503,540 1.121,541 7.5,542 0.232,543 3.333,544 1.979,545 1.533,546 1.427,547 0.624,548 0.517,549 0.439,550 0.224,551 17666,552 40718,553 2.127,554 48.5,556 22,558 1,559 2,561 7,564 1.76,565 2,566 3.643,567 0.235,573 102.891,574 1.559,575 3.661,576 4.779,577 5.131,578 5.131,579 5.131,580 3.091,581 4.676,582 5.049,583 3.896,584 2185.68,585 8.86,586 33783.7,591 398.93,592 1.379,593 5.023,594 0.197,595 0.01,596 0.062,597 0.037,598 0.031,599 0.027,600 0.012,601 0.011,602 0.011,603 0.007,604 0.405,605 0.33,606 0.75,607 1.501,608 183.167,609 0.008,610 -0.328,611 0.085,612 -0.147,613 -0.017,614 -0.039,615 0.059,616 0.094,617 0.084,618 0.085,619 0.134,620 0.089,621 -0.116,622 -0.112,623 -0.063,624 -0.026,625 -0.052,626 -0.041,627 0.007,628 0.075,629 0.086,630 0.079,631 0.022,632 0.094,633 -0.013,634 0.015,635 0.077,636 0.098,637 -0.059,638 0.103,639 -0.156,640 0.039,641 -0.074,642 0.002,643 -0.066,644 -0.012,645 -0.158,646 -0.063,647 -0.305,648 -0.159,649 -0.235,650 -0.242,651 0.146,652 0.072,653 -0.039,654 -0.079,655 0.122,656 -0.087,657 1.886,658 5.123,659 0.676,660 42.682,661 1.001,662 1.142,663 2.962,664 8.771,665 0.638,666 3.664,667 4.007,668 4.29,669 4.605,670 4.86,671 5.063,672 5.257,673 5.442,674 5.602,675 5.753,676 7.952,677 0.605,678 464.64,679 3.664,680 5.22,681 6.08,682 6.973,683 7.854,684 8.756,685 9.651,686 10.559,687 11.461,688 12.374,689 12.1,692 1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 66,733 17,734 1,735 38,737 70,738 24,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 4,758 4,761 12,762 12,766 1,771 1,775 1,781 32,782 9,783 2,784 10,790 8,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,836 1,839 1,840 3,844 3,848 34,854 7,855 2,856 1,858 2,859 2,870 3,873 1,874 1,877 17,878 12.617,879 7.389,880 4.165,881 3.17,882 1.376,883 0.989,884 6.794,885 11.602,886 3.871,887 4.451,888 5.035,889 5.661,890 6.221,891 6.666,892 7.171,893 7.642,894 7.992,895 8.393,896 0.889,897 53,898 12.612,900 5.371,901 7.598,902 24.557,904 20.493,905 2.098,906 71.333,910 353.133,911 107.33,912 94.281,914 36.145,917 107.33,918 389.278,919 94.281,920 25.618,921 51.619,922 37.905,923 99.865,924 27.916,925 6.604,926 341.362,928 353.133,929 201.611,930 36.145,933 273.063,934 107.543,935 11,937 76.108,938 72.941,939 50.234,941 353.133,942 130.426,943 107.33,946 353.133,947 34.76,948 80.596,949 36.022,950 86.379,951 353.133,952 130.426,953 107.33,955 0.583,956 0.33,957 0.18,958 0.098,959 27,960 12,961 0.1,962 7,963 3,964 1.217,965 4.517,966 326.659,967 0.261,968 22,969 160.974,974 23.184,975 9.963,976 5.108,977 1.809,978 128.649,979 9.504,980 14.387,984 3.179,985 1.91,986 36.022,987 590.889,988 47,993 12.123,997 -0.219,999 66.072,1000 75.388,1001 0.258,1002 0.606,1003 0.791,1004 0.849,1005 0.849,1006 0.849,1007 5.136,1008 1.879,1009 6.071,1010 5.576,1011 4.691,1012 5.139,1013 2.219,1014 6.891,1015 4.584,1016 6.324,1017 1.76,1018 7.63,1019 5.439,1020 4.29,1021 4.977,1022 1.404,1023 7.781,1024 4.127,1025 7.628,1026 1.494,1027 9.284,1028 5.098,1029 6.293,1030 7.314,1031 2.581,1032 10.893,1033 6.079,1034 8.965,1035 1.241,1036 10.996,1037 4.287,1038 6.698,1039 8.024,1040 2.382,1041 12.63,1042 6.427,1043 10.337,1044 1.017,1045 12.745,1046 3.587,1047 8.17,1048 9.862,1049 3.295,1050 15.267,1051 7.851,1052 11.734,1053 1,1054 14.522,1055 2.275,1056 8.956,1057 10.994,1058 3.421,1059 17.379,1060 8.581,1061 13.153,1062 0.883,1063 16.32,1064 2.252,1065 10.219,1066 12.636,1067 4.17,1068 19.859,1069 9.795,1070 3.264,1071 0.681,1072 18.135,1073 2.095,1074 11.192,1075 13.975,1076 4.467,1077 22.141,1078 10.713,1079 2.882,1080 11.414,1081 19.965,1082 1.658,1083 12.374,1084 15.539,1085 5.115,1086 24.573,1087 11.846,1088 2.791,1089 9.109,1090 21.806,1091 4.627,1092 13.44,1093 16.977,1094 5.504,1095 26.931,1096 12.856,1097 2.543,1098 8.943,1099 23.657,1100 3.791,1101 14.596,1102 18.514,1103 6.092,1104 29.352,1105 13.961,1106 2.447,1107 7.725,1108 25.517,1109 3.319,1110 15.708,1111 19.999,1112 6.531,1113 31.747,1114 15.019,1115 2.239,1116 7.344,1117 27.385,1118 3.162,1119 16.86,1120 21.527,1121 7.084,1122 34.169,1123 16.118,1124 2.042,1125 5.638,1126 29.259,1127 2.769,1128 17.997,1129 23.034,1130 7.551,1131 36.582,1132 17.2,1133 16683,1134 25486,1135 25.66,1136 42.091,1137 57.496,1138 58.084,1139 58.541,1140 57.051,1141 57.007,1142 70.298,1143 8.726,1144 166.042,1145 53.995,1146 5.675,1147 5.546,1148 6.401,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 16.475,1156 1.513,1157 1.529,1158 1.541,1159 1.501,1160 1.5,1161 1.85,1162 0.23,1163 4.37,1164 1.421,1165 4.131,1166 4.182,1167 4.108,1168 3.975,1169 7.431,1170 4,1171 3.902,1172 3.941,1173 3.841,1174 3.8,1175 5.136,1176 3.805,1177 3.885,1178 3.931,1179 3.794,1180 3.717,1181 4.754,1182 3.728,1183 3.711,1184 3.792,1185 3.588,1186 3.48,1187 4.671,1188 3.493,1189 3.495,1190 3.571,1191 3.395,1192 3.281,1193 4.488,1194 3.285,1195 3.433,1196 3.508,1197 3.312,1198 3.167,1199 4.351,1200 3.198,1201 3.206,1202 3.3,1203 3.056,1204 2.993,1205 4.063,1206 2.998,1207 3.171,1208 3.252,1209 3.022,1210 2.971,1211 4.011,1212 2.973,1213 0.123,1214 0.093,1215 0.18,1216 0.111,1217 0.086,1218 4.675,1219 0.122,1220 3.546,1221 0.044,1222 6.845,1223 0.3,1224 4.211,1225 0.081,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.92,1233 2.029,1234 2.085,1235 1.255,1236 2.065,1237 1.794,1238 1.756,1239 1.912,1240 1.962,1241 1.224,1242 1.95,1243 1.65,1244 1.569,1245 1.897,1246 1.9,1247 1.129,1248 1.905,1249 1.619,1250 1.554,1251 1.86,1252 1.873,1253 1.107,1254 1.863,1255 1.604,1256 1.543,1257 1.849,1258 1.76,1259 1.042,1260 1.798,1261 1.509,1262 1.444,1263 1.683,1264 1.725,1265 0.835,1266 1.714,1267 1.347,1268 1.271,1269 1.625,1270 1.645,1271 0.729,1272 1.636,1273 1.143,1274 1.071,1275 1.417,1276 1.401,1277 0.496,1278 1.397,1279 4.344,1281 5.68,1282 3.045,1283 7.198,1284 5.416,1285 8.805,1286 7.506,1287 10.466,1289 6.007,1295 5.993,1296 5.725,1297 6.035,1299 0.533,1300 4.349,1305 39.922,1306 102.891,1307 241.614,1308 315.446,1309 338.665,1310 338.665,1311 338.665,1312 53.518,1313 8.432,1314 100.44,1315 100.44,1316 28,1317 12.89,1318 4.17,1319 3.322,1320 50.129,1321 157,1322 200,1323 0.152,1324 242.947,1325 413.72,1326 584.551,1327 57494,1329 23.656,1330 0.696,1331 0.588,1332 23.656,1333 19.991,1334 16.496,1335 0.434,1336 0.314,1337 11.717,1338 15.67,1339 11.417,1340 9.45,1341 16.496,1342 11.938,1343 15.192,1344 0.281,1345 0.17,1346 15.192,1347 9.192,1348 12.55,1349 0.174,1350 0.088,1351 12.55,1352 6.364,1353 10.853,1354 0.11,1355 0.046,1356 10.853,1357 4.601,1358 8.682,1359 0.068,1360 0.024,1361 8.682,1362 3.111,1363 0.241,1364 104.431,1365 0.197,1366 31.643,1367 0.408,1368 184,1369 510.007,1370 206.602,1371 487.606,1372 679.2,1373 460,1374 218,1375 515.708,1376 242.243,1377 516.841,1378 762.88,1379 486,1380 6.078}
{0 CHEMBL565583,1 1.565,2 15.081,3 2.635,4 6.945,5 140.235,6 7.443,7 0.524,8 4.325,9 4.458,10 3.901,11 3.828,12 5.394,13 3.823,14 4.884,15 5.062,16 4.289,17 4.243,18 5.931,19 4.218,20 5.15,21 5.371,22 4.315,23 4.369,24 6.13,25 4.311,26 5.147,27 5.393,28 4.25,29 4.332,30 6.153,31 4.258,32 5.075,33 5.305,34 4.244,35 4.29,36 6.109,37 4.232,38 5.042,39 5.258,40 4.256,41 4.302,42 6.063,43 4.256,44 5.056,45 5.258,46 4.228,47 4.346,48 6.046,49 4.272,50 5.15,51 5.4,52 4.053,53 4.326,54 6.129,55 4.19,56 0.077,57 1.085,58 14.025,59 5.543,60 12.267,61 7.609,62 0.384,63 1.738,64 27.068,65 9.559,66 34.201,67 13.428,68 0.529,69 2.077,70 38.292,71 11.993,72 51.073,73 17.515,74 0.507,75 2.071,76 38.532,77 11.82,78 57.104,79 17.861,80 0.41,81 1.904,82 35.613,83 11.33,84 57.716,85 16.732,86 0.516,87 1.927,88 33.726,89 10.144,90 51.003,91 14.772,92 0.445,93 1.955,94 33.06,95 11.288,96 38.495,97 16.357,98 0.606,99 1.928,100 39.155,101 14.111,102 80.274,103 20.355,104 14,105 60,106 0.245,107 0.611,108 0.757,109 0.807,110 0.821,111 0.826,112 3.642,113 0.908,114 -4.85,115 -4.76,116 -4.47,119 40.3,120 1,121 2,125 4,127 2,142 8,143 3,144 2,145 1,147 1,149 1,159 1,161 1,163 1,164 1,165 1,166 1,172 9,174 3,175 10,178 2,179 1,180 5,183 8,185 1,186 2,187 7,192 6,195 4,197 2,198 5,199 11,204 8,207 2,209 2,211 1,212 12,217 4,220 4,224 10,227 2,228 1,229 2,231 1,232 7,236 3,237 9,245 12,249 2,250 2,252 1,253 5,254 1,255 1,257 1,258 14,263 3,266 1,271 10,275 2782,276 25.616,277 25.616,278 25.616,279 25.616,280 25.616,281 22.979,282 34.297,283 14.842,284 26.165,285 20.662,286 20.662,287 20.662,288 20.662,289 20.662,290 16.485,291 47.162,292 6.971,293 21.582,294 4.501,295 2.161,296 1.228,297 0.907,298 0.817,299 0.787,300 4.36,305 1,306 1258,307 3.606,310 180.896,311 459.252,312 117.104,314 164.419,318 2.349,319 32.252,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 80,331 558,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.817,345 2.882,346 3.792,347 0.86,348 9.109,349 2.741,350 4.062,351 3.148,352 6.11,353 3.768,354 2.799,355 3.647,356 0.8,357 8.944,358 2.66,359 3.985,360 2.802,361 5.65,362 3.674,363 2.697,364 3.318,365 0.522,366 7.734,367 2.636,368 3.823,369 2.775,370 5.597,371 3.47,372 2.504,373 3.163,374 0.247,375 7.698,376 2.417,377 3.653,378 2.72,379 5.407,380 3.377,381 2.442,382 2.87,384 7.143,385 2.272,386 3.554,387 2.429,388 5.159,389 3.196,390 2.222,391 2.761,393 6.422,394 2.158,395 3.269,396 2.328,397 5.009,398 2.839,399 1.879,400 2.489,402 5.638,403 1.823,404 2.977,405 2.093,406 4.879,407 2.838,408 1.845,409 2.151,411 5.443,412 1.794,413 2.947,414 1.961,415 4.642,416 2.705,417 1.755,418 2.057,420 4.992,421 1.66,422 2.879,423 1.535,424 4.409,425 2.43,426 1.474,427 1.879,428 4.236,429 1.404,430 2.625,431 1.326,432 4.28,433 2.171,434 1.237,435 1.668,436 3.585,437 1.152,438 2.5,439 1,440 3.664,441 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 2.222,457 0.966,458 3.414,459 1.831,460 0.888,461 1.145,463 2.222,464 0.835,465 17.367,466 0.469,467 0.841,468 0.023,469 48.5,470 1.311,471 23,472 0.622,473 25.5,474 0.689,475 33.162,476 0.896,477 39.633,478 0.592,479 38.976,480 1.053,481 9.266,482 0.25,483 8.823,484 0.238,485 0.071,487 0.363,493 0.867,494 1.365,495 0.784,496 1.09,497 0.747,498 0.944,499 0.913,500 1.141,501 0.869,502 1.028,503 0.627,504 0.955,505 1.249,506 1.162,507 1.008,508 0.979,509 0.902,510 0.966,511 0.913,512 1.009,513 0.983,514 0.978,515 0.853,516 0.974,517 1.076,518 1.13,519 0.907,520 0.974,521 1.338,522 0.921,523 1.326,524 0.941,525 1.091,526 0.879,527 1.252,528 0.923,529 0.958,530 1.169,531 1.16,532 1.182,533 0.759,534 1.19,535 0.655,536 0.865,537 1.072,538 1.13,539 0.766,540 1.165,541 8,542 0.208,543 3.556,544 2.104,545 1.835,546 1.497,547 0.806,548 0.467,549 0.439,550 0.291,551 24088,552 57641,553 2.18,554 44.8,556 18,558 1,559 4,561 7,564 1.779,565 2.075,566 3.786,567 1.498,573 104.839,574 1.565,575 3.905,576 4.838,577 5.159,578 5.249,579 5.279,580 3.26,581 4.777,582 5.176,583 4.026,584 2681.36,585 9.098,586 44634,591 406.428,592 1.288,593 5.156,594 0.19,595 0.007,596 0.059,597 0.035,598 0.033,599 0.027,600 0.014,601 0.009,602 0.01,603 0.008,604 0.393,606 0.75,607 0.662,608 205.64,609 -0.033,610 -0.129,611 0.064,612 -0.032,613 -0.074,614 0.022,615 0.11,616 -0.004,617 0.051,618 -0.018,619 0.096,621 -0.126,622 -0.132,623 -0.029,624 -0.001,625 -0.028,626 -0.006,627 -0.013,628 0.032,629 -0.008,630 -0.025,631 0.037,632 -0.014,633 -0.054,634 -0.115,635 0.069,636 0.011,637 -0.057,638 0.054,639 -0.208,640 0.16,641 -0.125,642 0.071,643 -0.155,644 0.005,645 -0.047,646 -0.073,647 -0.233,648 -0.181,649 -0.084,650 -0.223,651 0.159,652 0.093,653 -0.105,654 -0.109,655 0.134,656 -0.145,657 1.984,658 5.459,659 0.784,660 47.286,661 1.003,662 1.134,663 3.621,664 13.11,665 0.662,666 3.761,667 4.111,668 4.419,669 4.727,670 4.984,671 5.153,672 5.347,673 5.509,674 5.666,675 5.832,676 8.651,677 0.633,678 498.65,679 3.761,680 5.323,681 6.192,682 7.086,683 7.971,684 8.871,685 9.764,686 10.668,687 11.567,688 12.475,689 11.9,690 1,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 67,733 23,734 2,735 42,737 72,738 27,739 17,740 4,741 8,746 6,747 8,751 1,752 2,755 4,758 4,761 18,762 9,766 1,771 1,775 1,781 30,782 9,783 4,784 10,790 8,794 0.667,795 2,801 1,803 1,806 1,811 2,812 4,813 1,815 1,833 1,839 1,840 4,844 1,848 37,849 1,854 6,855 2,856 1,858 2,859 1,870 3,873 1,874 1,877 17.833,878 12.083,879 8.056,880 4.2,881 4.081,882 1.461,883 1.028,884 6.614,885 12.936,886 4.007,887 4.618,888 5.22,889 5.838,890 6.397,891 6.772,892 7.254,893 7.701,894 8.042,895 8.46,896 0.9,897 60,898 13.7,900 5.948,901 7.64,902 26.497,904 22.454,905 2.14,906 79.167,910 306.049,911 132.279,912 124.054,914 36.145,917 132.279,918 342.193,919 124.054,920 8.825,921 82.411,922 75.81,923 99.865,924 30.734,925 6.604,926 294.278,928 306.049,929 256.333,930 36.145,933 225.979,934 107.543,935 11,937 103.775,938 99.996,939 50.234,941 306.049,942 160.198,943 132.279,946 306.049,947 38.596,948 98.583,949 36.022,950 119.276,951 306.049,952 160.198,953 132.279,955 0.584,956 0.346,957 0.191,958 0.104,959 31,960 13,961 0.083,962 6,963 3,964 1.172,965 4.831,966 371.663,967 0.207,968 28,969 178.75,974 24.013,975 10.191,976 4.958,977 1.782,978 158.422,979 16.859,980 14.41,984 4.781,985 1.902,986 68.919,987 598.526,988 54,993 12.459,997 -0.318,999 67.189,1000 75.972,1001 0.258,1002 0.644,1003 0.798,1004 0.851,1005 0.865,1006 0.87,1007 5.265,1008 1.879,1009 6.18,1010 6.422,1011 4.796,1012 5.306,1013 2.173,1014 7.002,1015 4.708,1016 6.465,1017 1.845,1018 7.74,1019 5.638,1020 4.369,1021 5.112,1022 1.305,1023 7.881,1024 4.235,1025 7.773,1026 1.755,1027 9.393,1028 5.443,1029 6.405,1030 7.504,1031 2.557,1032 10.986,1033 6.225,1034 9.115,1035 1.474,1036 11.101,1037 4.992,1038 6.792,1039 8.16,1040 2.354,1041 12.7,1042 6.556,1043 10.488,1044 1.237,1045 12.845,1046 4.236,1047 8.278,1048 10.029,1049 3.286,1050 15.327,1051 8,1052 11.884,1053 1,1054 14.616,1055 3.585,1056 9.048,1057 11.105,1058 3.414,1059 17.42,1060 8.71,1061 13.298,1062 1,1063 16.406,1064 2.275,1065 10.314,1066 12.761,1067 4.168,1068 19.891,1069 9.933,1070 3.264,1071 0.888,1072 18.213,1073 2.275,1074 11.273,1075 14.057,1076 4.466,1077 22.162,1078 10.831,1079 2.882,1080 11.414,1081 20.034,1082 2.222,1083 12.453,1084 15.625,1085 5.115,1086 24.589,1087 11.965,1088 2.799,1089 9.109,1090 21.868,1091 4.627,1092 13.507,1093 17.035,1094 5.504,1095 26.942,1096 12.959,1097 2.697,1098 8.944,1099 23.711,1100 3.792,1101 14.659,1102 18.57,1103 6.092,1104 29.36,1105 14.06,1106 2.504,1107 7.734,1108 25.564,1109 3.647,1110 15.762,1111 20.038,1112 6.531,1113 31.752,1114 15.104,1115 2.442,1116 7.698,1117 27.425,1118 3.318,1119 16.908,1120 21.562,1121 7.084,1122 34.173,1123 16.197,1124 2.222,1125 7.143,1126 29.293,1127 3.163,1128 18.038,1129 23.06,1130 7.551,1131 36.584,1132 17.269,1133 22015,1134 34226,1135 28.838,1136 44.33,1137 63.367,1138 64.395,1139 64.737,1140 63.065,1141 63.077,1142 80.713,1143 8.17,1144 184.916,1145 60.379,1146 5.675,1147 5.562,1148 6.398,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 14.906,1156 1.509,1157 1.533,1158 1.541,1159 1.502,1160 1.502,1161 1.922,1162 0.195,1163 4.403,1164 1.438,1165 4.133,1166 4.183,1167 4.109,1168 3.979,1169 7.431,1170 4.003,1171 3.944,1172 3.982,1173 3.886,1174 3.858,1175 5.138,1176 3.859,1177 3.899,1178 3.941,1179 3.82,1180 3.797,1181 5.031,1182 3.801,1183 3.868,1184 3.906,1185 3.79,1186 3.716,1187 4.757,1188 3.726,1189 3.504,1190 3.574,1191 3.436,1192 3.285,1193 4.684,1194 3.296,1195 3.439,1196 3.51,1197 3.326,1198 3.206,1199 4.67,1200 3.232,1201 3.255,1202 3.34,1203 3.117,1204 3.042,1205 4.484,1206 3.053,1207 3.205,1208 3.299,1209 3.022,1210 2.98,1211 4.046,1212 2.982,1213 0.111,1214 0.085,1215 0.163,1216 0.1,1217 0.078,1218 4.675,1219 0.11,1220 3.562,1221 0.039,1222 6.845,1223 0.272,1224 4.211,1225 0.074,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.953,1232 1.922,1233 2.038,1234 2.086,1235 1.255,1236 2.066,1237 1.913,1238 1.883,1239 2.02,1240 2.021,1241 1.224,1242 2.023,1243 1.792,1244 1.754,1245 1.907,1246 1.94,1247 1.148,1248 1.937,1249 1.619,1250 1.557,1251 1.86,1252 1.875,1253 1.11,1254 1.864,1255 1.604,1256 1.543,1257 1.85,1258 1.76,1259 1.042,1260 1.798,1261 1.509,1262 1.444,1263 1.681,1264 1.725,1265 0.835,1266 1.713,1267 1.354,1268 1.293,1269 1.576,1270 1.637,1271 0.643,1272 1.621,1273 1.184,1274 1.117,1275 1.359,1276 1.472,1277 0.496,1278 1.452,1279 4.443,1281 5.784,1282 3.045,1283 7.314,1284 5.416,1285 8.929,1286 7.506,1287 10.593,1289 2.056,1293 5.633,1295 5.027,1296 5.702,1297 6.044,1299 0.507,1300 2.321,1305 42.396,1306 104.839,1307 261.657,1308 324.163,1309 345.673,1310 351.673,1311 353.673,1312 56.325,1313 8.855,1314 123.22,1315 123.22,1316 34,1317 12.993,1318 4.585,1319 3.7,1320 51.275,1321 190,1322 239,1323 0.128,1324 255.549,1325 434.44,1326 615.299,1327 103053,1329 25.355,1330 0.685,1331 0.56,1332 25.355,1333 20.723,1334 18.089,1335 0.431,1336 0.303,1337 12.516,1338 17.347,1339 12.294,1340 10.116,1341 18.089,1342 12.707,1343 16.398,1344 0.273,1345 0.158,1346 16.398,1347 9.488,1348 14.351,1349 0.175,1350 0.085,1351 14.351,1352 6.967,1353 12.401,1354 0.111,1355 0.045,1356 12.401,1357 5.05,1358 10.042,1359 0.069,1360 0.024,1361 10.042,1362 3.465,1363 0.206,1364 113.519,1365 0.186,1366 34.07,1367 0.338,1368 204,1369 553.675,1370 226.213,1371 536.114,1372 753.7,1373 506,1374 244,1375 579.285,1376 267.383,1377 580.622,1378 859.7,1379 550,1380 7.678}
{0 CHEMBL565612,1 1.568,2 10.576,3 3.484,4 12.137,5 126.137,6 7.973,7 0.553,8 4.142,9 4.259,10 3.781,11 3.707,12 5.259,13 3.706,14 4.687,15 4.854,16 4.185,17 4.138,18 5.795,19 4.121,20 4.921,21 5.109,22 4.258,23 4.284,24 5.987,25 4.242,26 4.999,27 5.212,28 4.281,29 4.28,30 6.158,31 4.235,32 4.98,33 5.19,34 4.334,35 4.26,36 6.153,37 4.244,38 4.917,39 5.065,40 4.378,41 4.284,42 6.223,43 4.279,44 5.013,45 5.188,46 4.284,47 4.313,48 6.232,49 4.273,50 5.035,51 5.246,52 4.106,53 4.249,54 6.118,55 4.168,56 0.045,57 0.876,58 9.78,59 4.486,60 7.239,61 5.62,62 0.346,63 1.468,64 19.644,65 7.588,66 23.924,67 9.88,68 0.274,69 1.74,70 26.568,71 10.453,72 30.947,73 13.676,74 0.457,75 1.854,76 30.641,77 11.014,78 72.841,79 15.029,80 0.52,81 1.826,82 30.38,83 10.219,84 53.635,85 13.6,86 0.45,87 1.738,88 24.911,89 9.731,90 52.452,91 11.85,92 0.475,93 1.836,94 29.331,95 10.957,96 70.237,97 13.597,98 0.493,99 1.815,100 32.545,101 11.952,102 73.704,103 15.356,104 10,105 56,106 0.253,107 0.608,108 0.725,109 0.819,110 0.854,111 0.86,112 3.533,113 0.866,114 -3.81,115 -3.77,116 -3.59,119 45.5,124 1,125 4,136 2,142 8,143 3,146 2,150 1,151 1,152 1,158 2,172 11,174 3,175 6,178 2,180 5,183 12,186 1,187 7,192 4,195 10,198 2,199 11,202 1,204 4,207 8,211 3,212 10,215 1,216 1,217 2,220 8,223 2,224 10,227 4,229 5,232 6,236 2,237 13,242 3,245 6,250 8,253 2,255 2,258 6,262 1,263 6,266 1,268 1,271 6,275 1876,276 22.723,277 22.723,278 22.723,279 22.723,280 22.723,281 19.964,282 17.659,283 13.165,284 23.117,285 18.785,286 18.785,287 18.785,288 18.785,289 18.785,290 14.423,291 23.387,292 6.26,293 19.403,294 4.213,295 2.011,296 1.286,297 0.705,298 0.486,299 0.45,300 4.253,304 1,305 1,306 788,307 2.55,310 129.391,311 309.87,314 110.87,315 128.062,318 1.442,319 33.971,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 71,331 349,332 4.785,333 3.836,334 7.159,335 4.391,336 3.397,337 4.623,338 1.2,339 12.545,340 3.375,341 4.539,342 3.303,343 6.661,344 4.07,345 3.099,346 4.477,347 0.8,348 10.735,349 3.019,350 4.285,351 3.199,352 6.323,353 3.838,354 2.869,355 3.901,356 0.8,357 9.55,358 2.79,359 3.905,360 3.047,361 6.074,362 3.642,363 2.698,364 3.237,365 0.8,366 8.775,367 2.519,368 3.564,369 2.92,370 5.659,371 3.195,372 2.269,373 2.904,375 7.191,376 2.192,377 3.393,378 2.586,379 5.157,380 3.182,381 2.193,382 2.677,384 6.091,385 2.07,386 3.355,387 2.358,388 5.045,389 2.962,390 1.975,391 2.416,393 5.954,394 1.939,395 3.166,396 2.006,397 4.867,398 2.694,399 1.667,400 2.326,402 4.876,403 1.697,404 3.046,405 1.667,406 4.504,407 2.518,408 1.554,409 2.312,411 4.27,412 1.501,413 2.946,414 1.546,415 4.394,416 2.507,417 1.546,418 2.125,420 3.961,421 1.482,422 2.839,423 1.463,424 4.11,425 2.319,426 1.324,427 1.898,428 3.45,429 1.314,430 2.638,431 1.349,432 3.725,433 2.244,434 1.289,435 1.672,436 2.957,437 1.226,438 2.544,439 1.146,440 3.601,441 2.054,442 1.069,443 1.526,445 2.663,446 1.049,447 2.276,448 1.136,449 3.563,450 1.967,451 1,452 1.152,454 2.275,455 0.965,456 2,457 0.897,458 3.414,459 1.769,460 0.8,461 1,463 2.099,464 0.773,465 15.567,466 0.472,467 0.833,468 0.025,469 46,470 1.394,471 23,472 0.697,473 23,474 0.697,475 27.02,476 0.819,477 33.633,478 0.612,479 38.417,480 1.164,481 9.165,482 0.278,483 6.933,484 0.21,485 0.075,487 0.405,493 0.752,494 1.343,495 0.703,496 1.003,497 0.535,498 0.865,499 0.75,500 0.914,501 0.802,502 0.801,503 0.512,504 0.794,505 0.933,506 1.099,507 0.898,508 1.013,509 0.849,510 0.957,511 0.796,512 1.077,513 0.835,514 0.949,515 0.646,516 0.897,517 1.067,518 0.863,519 0.777,520 0.749,521 1.006,522 0.709,523 1.234,524 1.132,525 0.951,526 1.078,527 1.433,528 0.996,529 1.392,530 1.115,531 1.153,532 1.11,533 1.538,534 1.1,535 1.328,536 1.052,537 1.202,538 1.121,539 1.505,540 1.15,541 5.5,542 0.138,543 4,544 2.639,545 2.036,546 1.601,547 1.048,548 0.699,549 0.477,550 0.248,551 14350,552 35642,553 2.203,554 40,556 19,557 1,559 2,564 1.762,565 2.084,566 3.334,567 0.192,569 1,573 86.261,574 1.568,575 3.771,576 4.495,577 5.077,578 5.295,579 5.331,580 2.795,581 4.863,582 5.016,583 3.458,584 1825.73,585 8.839,586 25500.1,588 1,591 317.975,592 1.337,593 4.987,594 0.145,595 0.006,596 0.071,597 0.045,598 0.035,599 0.025,600 0.016,601 0.012,602 0.01,603 0.007,604 0.372,605 0.5,606 0.88,607 0.467,608 169.754,609 -0.059,610 -0.204,611 0.059,612 -0.043,613 -0.035,614 0.015,615 0.092,616 0.209,617 0.056,618 0.137,619 0.072,620 0.101,621 -0.059,622 -0.075,623 0.016,624 -0.032,625 -0.023,626 -0.001,627 0.122,628 -0.063,629 0.131,630 0.018,631 0.198,632 0.071,633 0.055,634 0.18,635 0.207,636 0.191,637 0.065,638 0.225,639 0.06,640 -0.068,641 -0.053,642 -0.133,643 0.035,644 -0.118,645 -0.149,646 -0.097,647 -0.213,648 -0.148,649 -0.106,650 -0.182,651 -0.171,652 -0.093,653 -0.207,654 -0.137,655 -0.19,656 -0.176,657 2.103,658 6.12,659 0.909,660 28.511,661 1.006,662 1.122,663 2.584,664 6.676,665 0.692,666 3.664,667 4.043,668 4.407,669 4.771,670 5.063,671 5.231,672 5.455,673 5.652,674 5.793,675 5.9,676 6.158,677 0.669,678 438.53,679 3.664,680 5.242,681 6.138,682 7.057,683 7.973,684 8.901,685 9.827,686 10.759,687 11.689,688 12.623,689 10.9,692 1,695 1,696 1,697 1,699 2,703 4,704 9,705 2,706 1,709 3,711 21,726 1,731 55,733 24,734 2,735 38,737 60,738 25,739 16,740 4,741 8,742 4,746 6,747 8,761 20,762 5,766 3,771 2,775 4,778 1,781 22,782 7,783 2,784 8,790 6,792 1,794 0.667,795 2,806 1,807 1,811 2,812 4,815 1,816 1,832 2,836 1,840 4,844 1,848 33,854 4,855 1,859 2,870 3.6,873 2,877 15.833,878 10.383,879 7.028,880 3.35,881 4.638,882 1.531,883 1.067,884 4.752,885 13.373,886 3.961,887 4.623,888 5.314,889 6.003,890 6.619,891 7.061,892 7.594,893 8.085,894 8.477,895 8.836,896 1,897 59,898 12.282,900 5.505,901 7.722,902 23.447,904 20.12,905 2.222,906 73.333,909 1,910 235.422,911 134.733,912 74.616,914 50.29,917 134.733,918 285.712,919 74.616,920 8.396,921 26.434,922 84.857,923 93.27,924 42.638,925 15.814,926 223.651,928 235.422,929 209.349,930 50.29,933 235.422,934 50.29,937 53.143,938 122.634,939 33.571,941 235.422,942 124.906,943 134.733,946 235.422,947 41.479,948 99.502,949 34.796,950 83.861,951 235.422,952 124.906,953 134.733,955 0.591,956 0.359,957 0.21,958 0.121,959 31,960 13,961 0.05,962 3,963 2,964 1.133,965 4.232,966 347.811,967 0.133,968 30,969 160.465,974 20.101,975 7.802,976 3.323,977 3.27,978 108.12,979 17.137,980 9.66,981 3.206,984 1.751,986 34.796,987 495.061,988 51.5,993 26.127,997 -0.221,999 55.334,1000 61.73,1001 0.271,1002 0.652,1003 0.777,1004 0.878,1005 0.916,1006 0.922,1007 5.227,1008 1.667,1009 6.142,1010 5.954,1011 4.727,1012 5.311,1013 1.957,1014 7.029,1015 4.669,1016 6.458,1017 1.554,1018 7.742,1019 4.876,1020 4.369,1021 5.207,1022 0.57,1023 8.065,1024 4.294,1025 7.793,1026 1.546,1027 9.445,1028 4.27,1029 6.385,1030 7.606,1031 1.93,1032 11.243,1033 6.277,1034 9.168,1035 1.324,1036 11.21,1037 3.961,1038 6.878,1039 8.379,1040 0.479,1041 13.149,1042 6.764,1043 10.58,1044 1.289,1045 13.015,1046 3.45,1047 8.362,1048 10.247,1049 2.084,1050 15.851,1051 8.222,1052 12.02,1053 1.069,1054 14.85,1055 2.957,1056 9.242,1057 11.425,1058 0.346,1059 18.107,1060 9.101,1061 13.48,1062 1,1063 16.706,1064 2.663,1065 10.526,1066 13.08,1067 2.33,1068 20.663,1069 10.369,1070 3.397,1071 0.8,1072 18.578,1073 2.275,1074 11.579,1075 14.443,1076 0.237,1077 23.063,1078 11.422,1079 3.099,1080 12.545,1081 20.463,1082 2.099,1083 12.793,1084 16.011,1085 2.626,1086 25.577,1087 12.626,1088 2.869,1089 10.735,1090 22.358,1091 4.623,1092 13.923,1093 17.457,1094 0.158,1095 28.039,1096 13.755,1097 2.698,1098 9.55,1099 24.262,1100 4.477,1101 15.116,1102 18.99,1103 2.95,1104 30.546,1105 14.942,1106 2.269,1107 8.775,1108 26.173,1109 3.901,1110 16.281,1111 20.473,1112 0.104,1113 33.036,1114 16.106,1115 2.193,1116 7.191,1117 28.09,1118 3.237,1119 17.472,1120 21.994,1121 3.29,1122 35.545,1123 17.293,1124 1.975,1125 6.091,1126 30.012,1127 2.904,1128 18.655,1129 23.494,1130 0.068,1131 38.051,1132 18.474,1133 13114,1134 20877,1135 26.065,1136 38.034,1137 59.177,1138 60.389,1139 60.482,1140 58.457,1141 58.474,1142 77.928,1143 7.2,1144 177.199,1145 56.762,1146 5.785,1147 5.836,1148 6.841,1149 5.466,1150 5.397,1151 7.623,1152 2.4,1153 20.276,1154 5.375,1155 12.907,1156 1.557,1157 1.589,1158 1.592,1159 1.538,1160 1.539,1161 2.051,1162 0.189,1163 4.663,1164 1.494,1165 4.17,1166 4.198,1167 4.141,1168 4.088,1169 7.45,1170 4.097,1171 4.049,1172 4.084,1173 4.015,1174 3.961,1175 7.408,1176 3.969,1177 3.809,1178 3.882,1179 3.74,1180 3.63,1181 5.054,1182 3.65,1183 3.762,1184 3.783,1185 3.688,1186 3.609,1187 4.96,1188 3.62,1189 3.389,1190 3.459,1191 3.31,1192 3.236,1193 4.496,1194 3.242,1195 3.367,1196 3.43,1197 3.27,1198 3.16,1199 4.345,1200 3.188,1201 3.131,1202 3.221,1203 2.99,1204 2.941,1205 4.298,1206 2.917,1207 3.111,1208 3.206,1209 2.874,1210 2.914,1211 4.143,1212 2.91,1213 0.126,1214 0.101,1215 0.188,1216 0.116,1217 0.089,1218 4.785,1219 0.122,1220 3.836,1221 0.032,1222 7.159,1223 0.33,1224 4.391,1225 0.089,1226 3.397,1227 4.623,1228 1.2,1229 12.545,1230 3.375,1231 2.029,1232 2.006,1233 2.093,1234 2.135,1235 1.292,1236 2.122,1237 1.933,1238 1.91,1239 2.025,1240 2.012,1241 1.208,1242 2.018,1243 1.758,1244 1.684,1245 1.969,1246 1.975,1247 1.143,1248 1.98,1249 1.64,1250 1.617,1251 1.72,1252 1.772,1253 0.849,1254 1.758,1255 1.383,1256 1.339,1257 1.564,1258 1.627,1259 0.825,1260 1.586,1261 1.247,1262 1.196,1263 1.513,1264 1.557,1265 0.657,1266 1.527,1267 1.214,1268 1.153,1269 1.475,1270 1.467,1271 0.529,1272 1.461,1273 1.153,1274 1.064,1275 1.343,1276 1.376,1277 0.341,1278 1.429,1279 4.344,1281 5.707,1282 3.045,1283 7.272,1284 5.476,1285 8.929,1286 7.627,1287 10.637,1289 2.094,1295 3.42,1296 2.491,1300 4.399,1305 36.772,1306 86.261,1307 207.392,1308 247.22,1309 279.22,1310 291.22,1311 293.22,1312 54.819,1313 8.736,1314 97.98,1315 97.98,1316 34,1317 13.123,1318 4.644,1319 3.858,1320 42.801,1321 118,1322 147,1323 0.173,1324 219.848,1325 375.2,1326 528.189,1327 83396,1329 22.526,1330 0.683,1331 0.549,1332 22.526,1333 18.13,1334 16.097,1335 0.424,1336 0.289,1337 10.813,1338 15.508,1339 10.593,1340 8.711,1341 16.097,1342 10.97,1343 14.918,1344 0.266,1345 0.151,1346 14.918,1347 8.461,1348 13.305,1349 0.164,1350 0.079,1351 13.305,1352 6.404,1353 12.018,1354 0.103,1355 0.039,1356 12.018,1357 4.619,1358 10.223,1359 0.065,1360 0.021,1361 10.223,1362 3.284,1363 0.262,1364 100.69,1365 0.196,1366 29.718,1367 0.511,1368 188,1369 520.717,1370 204.64,1371 508.935,1372 712.49,1373 478,1374 231,1375 540.709,1376 248.864,1377 549.449,1378 820.52,1379 519,1380 5}
{0 CHEMBL565637,1 1.705,2 11.324,3 2.525,4 6.375,5 126.38,6 7.698,7 0.447,8 4.254,9 4.365,10 3.853,11 3.632,12 5.36,13 3.673,14 4.824,15 5.006,16 4.2,17 4.012,18 5.886,19 4.039,20 4.967,21 5.151,22 4.272,23 4.163,24 6.051,25 4.155,26 5.03,27 5.246,28 4.258,29 4.184,30 6.102,31 4.158,32 5.051,33 5.272,34 4.269,35 4.169,36 6.113,37 4.151,38 4.999,39 5.199,40 4.272,41 4.149,42 6.051,43 4.152,44 5.062,45 5.271,46 4.198,47 4.256,48 6.057,49 4.197,50 5.214,51 5.478,52 4.088,53 4.273,54 6.056,55 4.151,56 0.168,57 0.934,58 12.572,59 4.72,60 10.714,61 6.444,62 0.859,63 1.422,64 27.265,65 7.78,66 40.652,67 10.374,68 0.888,69 1.647,70 30.838,71 9.002,72 50.198,73 13.312,74 0.868,75 1.751,76 33.356,77 9.415,78 56.316,79 14.209,80 0.971,81 1.721,82 35.195,83 8.935,84 68.174,85 14.282,86 0.92,87 1.726,88 31.923,89 7.56,90 45.857,91 11.938,92 0.941,93 1.817,94 33.677,95 9.688,96 50.505,97 14.862,98 0.859,99 1.812,100 43.326,101 13.474,102 59.747,103 20.936,104 14,105 53,106 0.275,107 0.561,108 0.691,109 0.699,110 0.699,111 0.699,112 3.561,113 0.874,114 -3,115 -3,116 -2.89,119 36.1,124 2,125 8,142 2,143 1,144 3,146 1,150 3,151 1,160 1,172 2,174 10,175 3,183 1,186 2,187 5,190 2,192 2,198 9,199 4,204 1,211 6,212 2,223 5,224 4,227 1,236 6,237 3,240 1,249 4,250 6,262 2,266 2,275 2122,276 23.618,277 23.618,278 23.618,279 23.618,280 23.618,281 21.726,282 35.229,283 13.939,284 24.858,285 18.668,286 18.668,287 18.668,288 18.668,289 18.668,290 15.548,291 50.745,292 6.492,293 20.493,294 4.225,295 2.453,296 1.644,297 1.599,298 1.599,299 1.599,300 4.269,304 1,305 1,306 841,307 2.739,310 91.792,311 449.821,318 1.716,319 37.42,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 76.5,331 385,332 4.486,333 3.329,334 6.489,335 4.068,336 3.123,337 4.204,338 0.86,339 10.15,340 2.973,341 4.376,342 3.265,343 6.389,344 3.96,345 3.043,346 4.03,347 0.86,348 9.903,349 2.77,350 4.115,351 3.013,352 6.147,353 3.72,354 2.795,355 3.664,356 0.86,357 9.037,358 2.585,359 3.795,360 2.967,361 6.016,362 3.591,363 2.684,364 3.057,365 0.86,366 8.629,367 2.432,368 3.73,369 2.598,370 5.894,371 3.391,372 2.456,373 2.972,374 0.8,375 8.162,376 2.282,377 3.355,378 2.555,379 5.19,380 2.972,381 2.061,382 2.604,383 0.8,384 6.118,385 1.867,386 3.182,387 2.331,388 4.753,389 2.853,390 1.945,391 2.383,393 5.244,394 1.762,395 2.931,396 2.25,397 4.463,398 2.577,399 1.697,400 2.016,402 4.367,403 1.488,404 2.838,405 1.789,406 4.283,407 2.507,408 1.584,409 1.879,411 4.065,412 1.456,413 2.46,414 1.658,415 4.011,416 2.06,417 1.187,418 1.444,420 3.016,421 1.031,422 2.23,423 1.484,424 3.508,425 1.952,426 1,427 1.202,428 2.612,429 0.946,430 2.166,431 1.288,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.159,439 1.256,440 3.411,441 1.87,442 1,443 1,445 2.136,446 0.869,447 2,448 1.256,449 3.264,450 1.869,451 0.974,452 1,454 2.136,455 0.866,456 2,457 0.983,458 3.247,459 1.673,460 0.83,461 1,463 1.698,464 0.696,465 15.467,466 0.455,467 0.687,468 0.02,469 44,470 1.294,471 18.5,472 0.544,473 25.5,474 0.75,475 29.65,476 0.872,477 38.533,478 0.632,479 36.425,480 1.071,481 8.913,482 0.262,483 7.743,484 0.228,485 0.086,487 0.336,493 0.964,494 1.848,495 0.738,496 1.435,497 0.881,498 1.091,499 1.32,500 0.733,501 0.923,502 0.714,503 0.927,504 0.725,505 0.965,506 1.31,507 0.922,508 1.048,509 0.796,510 0.984,511 0.825,512 1.054,513 0.97,514 1.026,515 1.08,516 1.013,517 0.913,518 1.172,519 0.905,520 0.922,521 1.167,522 0.901,523 1.156,524 1.172,525 1.118,526 0.946,527 0.838,528 0.98,529 0.805,530 1.067,531 1.205,532 1.095,533 0.898,534 1.196,535 0.522,536 1.074,537 0.894,538 1.176,539 0.509,540 1.131,541 6,542 0.231,543 3.778,544 1.688,545 1.9,546 1.597,547 0.544,548 0.456,549 0.37,550 0.203,551 16507,552 46756,553 2.145,554 44.3,556 24,557 1,558 1,559 1,564 1.765,565 2.04,566 3.488,567 -0.246,569 1,573 104.024,574 1.705,575 3.478,576 4.287,577 4.332,578 4.332,579 4.332,580 2.855,581 3.822,582 5.06,583 3.687,584 2068.49,585 8.9,586 31379.7,591 361.775,592 1.286,593 5.033,594 0.158,595 0.007,596 0.071,597 0.03,598 0.035,599 0.029,600 0.01,601 0.009,602 0.009,603 0.005,604 0.363,605 0.33,606 0.63,607 0.699,608 180.722,609 -0.096,610 -0.558,611 0.085,612 -0.287,613 -0.053,614 -0.093,615 -0.143,616 0.382,617 0.043,618 0.253,619 -0.036,620 0.19,621 0.003,622 -0.209,623 0.008,624 -0.022,625 0.123,626 -0.01,627 0.007,628 0.066,629 -0.038,630 -0.058,631 -0.081,632 -0.058,634 -0.107,635 0.056,636 0.034,637 -0.056,638 0.054,639 -0.183,640 -0.003,641 -0.177,642 -0.026,643 -0.068,644 -0.083,645 -0.038,646 0.094,647 -0.301,648 -0.107,649 -0.139,650 -0.235,651 0.132,652 -0.133,653 0.064,654 -0.149,655 0.132,656 -0.072,657 1.726,658 4.222,659 0.853,660 35.564,661 1.019,662 1.142,663 1.769,664 3.13,665 0.638,666 3.664,667 3.989,668 4.304,669 4.575,670 4.836,671 4.956,672 5.142,673 5.298,674 5.451,675 5.557,676 7.177,677 0.623,678 469.56,679 3.664,680 5.209,681 6.075,682 6.957,683 7.84,684 8.729,685 9.619,686 10.511,687 11.404,688 12.299,689 11.5,695 2,697 1,699 4,702 1,704 4,705 4,709 8,710 1,711 17,726 2,728 1,729 2,731 61,733 17,734 1,735 38,737 65,738 22,739 12,740 4,741 2,746 5,747 5,761 12,762 10,778 1,781 27,782 11,783 1,784 12,787 1,790 7,794 1,795 5,811 1,812 4,839 2,840 5,844 2,848 34,853 1,854 8,856 4,859 2,870 8.2,872 1,874 2,875 2,877 16.667,878 11.6,879 7.583,880 3.504,881 3.252,882 1.395,883 0.957,884 7.01,885 11.475,886 3.861,887 4.434,888 5.036,889 5.619,890 6.15,891 6.542,892 6.983,893 7.388,894 7.787,895 8.154,896 1,897 56,898 12.561,900 5.311,901 7.716,902 23.948,904 19.343,905 2.216,906 75.333,910 306.049,911 107.303,912 75.29,914 86.683,917 107.303,918 392.732,919 75.29,920 21.766,921 26.792,922 28,923 152.215,924 46.577,925 17.468,926 282.506,928 306.049,929 182.593,930 86.683,933 306.049,934 64.683,935 22,937 45.764,938 69.687,939 67.142,941 306.049,942 161.973,943 107.303,946 306.049,947 48.919,948 66.532,950 153.825,951 306.049,952 161.973,953 107.303,955 0.575,956 0.351,957 0.193,958 0.107,959 26,960 11,961 0.092,962 6,964 1,965 4.427,966 332.177,968 29,969 140.974,974 23.109,975 10.313,976 4.935,978 160.074,979 6.891,980 18.75,984 3.599,985 1.761,986 42.683,987 575.325,988 46.5,999 62.185,1000 69.687,1001 0.288,1002 0.586,1003 0.723,1004 0.73,1005 0.73,1006 0.73,1007 5.113,1008 1.697,1009 6.052,1010 5.244,1011 4.673,1012 5.121,1013 2.179,1014 6.872,1015 4.5,1016 6.294,1017 1.584,1018 7.614,1019 4.367,1020 4.205,1021 4.902,1022 0.57,1023 7.763,1024 3.971,1025 7.596,1026 1.187,1027 9.276,1028 4.065,1029 6.275,1030 7.28,1031 1.84,1032 10.872,1033 5.954,1034 8.936,1035 1,1036 10.997,1037 3.016,1038 6.661,1039 7.92,1040 0.479,1041 12.565,1042 6.278,1043 10.311,1044 1,1045 12.754,1046 2.612,1047 8.158,1048 9.75,1049 1.564,1050 15.163,1051 7.701,1052 11.709,1053 1,1054 14.534,1055 2.509,1056 8.927,1057 10.775,1058 0.346,1059 17.178,1060 8.407,1061 13.124,1062 0.974,1063 16.33,1064 2.136,1065 10.194,1066 12.38,1067 1.317,1068 19.589,1069 9.607,1070 3.123,1071 0.83,1072 18.138,1073 2.136,1074 11.143,1075 13.594,1076 0.237,1077 21.747,1078 10.494,1079 3.043,1080 10.15,1081 19.953,1082 1.698,1083 12.314,1084 15.098,1085 1.094,1086 24.083,1087 11.602,1088 2.795,1089 9.903,1090 21.774,1091 4.204,1092 13.348,1093 16.407,1094 0.158,1095 26.308,1096 12.576,1097 2.684,1098 9.037,1099 23.6,1100 4.03,1101 14.481,1102 17.864,1103 0.895,1104 28.615,1105 13.649,1106 2.456,1107 8.629,1108 25.429,1109 3.664,1110 15.557,1111 19.224,1112 0.104,1113 30.874,1114 14.666,1115 2.061,1116 8.162,1117 27.262,1118 3.057,1119 16.676,1120 20.659,1121 0.721,1122 33.171,1123 15.729,1124 1.945,1125 6.118,1126 29.097,1127 2.972,1128 17.772,1129 22.046,1130 0.068,1131 35.447,1132 16.768,1133 15495,1134 26241,1135 25.948,1136 38.926,1137 57.05,1138 58.055,1139 58.441,1140 56.862,1141 56.88,1142 69.856,1143 10.08,1144 163.856,1145 51.835,1146 5.486,1147 5.329,1148 6.29,1149 5.172,1150 5.123,1151 7.204,1152 1.72,1153 17.07,1154 4.973,1155 13.877,1156 1.501,1157 1.528,1158 1.538,1159 1.496,1160 1.497,1161 1.838,1162 0.265,1163 4.312,1164 1.364,1165 4.057,1166 4.106,1167 4.03,1168 3.913,1169 6.469,1170 3.933,1171 3.898,1172 3.937,1173 3.862,1174 3.699,1175 5.12,1176 3.737,1177 3.76,1178 3.803,1179 3.697,1180 3.549,1181 4.893,1182 3.579,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.749,1188 3.533,1189 3.494,1190 3.548,1191 3.421,1192 3.253,1193 4.616,1194 3.29,1195 3.303,1196 3.355,1197 3.144,1198 3.006,1199 4.59,1200 3.026,1201 3.169,1202 3.249,1203 2.985,1204 2.941,1205 4.58,1206 2.912,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.132,1212 2.91,1213 0.118,1214 0.088,1215 0.171,1216 0.107,1217 0.082,1218 4.486,1219 0.111,1220 3.329,1221 0.023,1222 6.489,1223 0.267,1224 4.068,1225 0.078,1226 3.123,1227 4.204,1228 0.86,1229 10.15,1230 2.973,1231 1.89,1232 1.881,1233 1.958,1234 2.065,1235 1.206,1236 2.027,1237 1.8,1238 1.739,1239 1.944,1240 1.995,1241 1.187,1242 1.979,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.091,1248 1.926,1249 1.557,1250 1.497,1251 1.67,1252 1.82,1253 0.825,1254 1.788,1255 1.307,1256 1.271,1257 1.59,1258 1.558,1259 0.825,1260 1.565,1261 1.227,1262 1.163,1263 1.557,1264 1.538,1265 0.709,1266 1.537,1267 1.206,1268 1.136,1269 1.513,1270 1.496,1271 0.584,1272 1.457,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.567,1278 1.429,1279 4.344,1281 5.666,1282 2.398,1283 7.194,1284 4.595,1285 8.808,1286 6.605,1287 10.468,1289 2.976,1294 10.222,1295 5.397,1297 21.531,1300 4.207,1305 37.992,1306 104.024,1307 212.158,1308 261.51,1309 264.265,1310 264.265,1311 264.265,1312 51.665,1313 8.223,1314 120.12,1315 120.12,1316 29,1317 12.825,1318 4.17,1319 3.248,1320 49.762,1321 145,1322 130,1323 0.164,1324 228.957,1325 394.49,1326 550.415,1327 42854,1329 23.493,1330 0.691,1331 0.564,1332 23.493,1333 19.177,1334 16.657,1335 0.438,1336 0.291,1337 10.752,1338 15.47,1339 10.559,1340 8.653,1341 16.657,1342 11.072,1343 14.544,1344 0.274,1345 0.148,1346 14.544,1347 7.83,1348 13.043,1349 0.179,1350 0.079,1351 13.043,1352 5.777,1353 10.88,1354 0.113,1355 0.041,1356 10.88,1357 3.891,1358 8.911,1359 0.071,1360 0.021,1361 8.911,1362 2.591,1363 0.256,1364 108.151,1365 0.196,1366 31.133,1367 0.458,1368 182,1369 622.608,1370 211.298,1371 571.999,1372 785.06,1373 542,1374 217,1375 576.464,1376 248.743,1377 575.334,1378 851.66,1379 537,1380 5}
{0 CHEMBL565787,1 1.563,2 13.571,3 3.53,4 12.457,5 131.761,6 7.574,7 0.55,8 4.253,9 4.378,10 3.85,11 3.773,12 5.318,13 3.769,14 4.814,15 4.985,16 4.24,17 4.182,18 5.868,19 4.16,20 5.08,21 5.3,22 4.248,23 4.293,24 6.055,25 4.238,26 5.051,27 5.296,28 4.187,29 4.243,30 6.052,31 4.178,32 4.969,33 5.183,34 4.201,35 4.22,36 6.029,37 4.174,38 4.982,39 5.19,40 4.216,41 4.259,42 6.014,43 4.217,44 5.002,45 5.2,46 4.168,47 4.305,48 5.985,49 4.227,50 5.082,51 5.334,52 3.971,53 4.28,54 5.983,55 4.136,56 0.059,57 0.998,58 12.469,59 5.229,60 9.293,61 6.951,62 0.359,63 1.624,64 24.483,65 8.916,66 31.17,67 12.178,68 0.526,69 1.947,70 35.475,71 11.156,72 48.179,73 15.849,74 0.484,75 1.917,76 34.729,77 10.774,78 49.854,79 15.892,80 0.375,81 1.759,82 31.064,83 10.192,84 51.153,85 14.484,86 0.466,87 1.838,88 30.997,89 9.616,90 48.629,91 13.517,92 0.44,93 1.862,94 30.674,95 10.875,96 38.326,97 15.297,98 0.472,99 1.84,100 36.136,101 13.655,102 57.358,103 19.575,104 6,105 57,106 0.248,107 0.594,108 0.726,109 0.792,110 0.815,111 0.82,112 3.589,113 0.903,114 -5.38,115 -5.26,116 -4.92,119 41.9,120 1,121 2,125 3,127 2,142 9,143 2,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 9,174 3,175 10,178 2,179 1,180 4,183 8,186 2,187 7,192 4,195 4,198 5,199 11,204 6,207 2,211 1,212 12,217 4,220 4,224 10,227 2,229 2,232 7,236 3,237 9,245 12,249 2,250 2,253 4,255 1,258 14,263 3,266 1,271 10,275 2393,276 24.298,277 24.298,278 24.298,279 24.298,280 24.298,281 21.634,282 29.078,283 14.257,284 24.837,285 19.768,286 19.768,287 19.768,288 19.768,289 19.768,290 15.657,291 39.939,292 6.796,293 20.667,294 4.391,295 2.211,296 1.38,297 0.96,298 0.819,299 0.786,300 4.309,305 1,306 1078,307 3.391,310 165.65,311 423.598,312 107.566,314 149.985,318 2.147,319 28.672,322 0.75,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.79,330 75.5,331 475,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.172,342 3.399,343 6.152,344 3.816,345 2.882,346 3.792,347 0.86,348 9.109,349 2.74,350 3.99,351 3.148,352 6.11,353 3.766,354 2.796,355 3.479,356 0.8,357 8.944,358 2.659,359 3.969,360 2.796,361 5.65,362 3.611,363 2.645,364 3.315,365 0.247,366 7.727,367 2.55,368 3.773,369 2.72,370 5.567,371 3.402,372 2.465,373 3.148,375 7.63,376 2.33,377 3.643,378 2.547,379 5.323,380 3.347,381 2.388,382 2.766,384 6.924,385 2.263,386 3.402,387 2.399,388 5.009,389 2.951,390 1.955,391 2.652,393 5.638,394 1.934,395 2.982,396 2.093,397 4.879,398 2.839,399 1.879,400 2.179,402 5.444,403 1.794,404 2.956,405 1.961,406 4.677,407 2.706,408 1.759,409 2.058,411 5.114,412 1.661,413 2.879,414 1.535,415 4.414,416 2.457,417 1.5,418 1.974,420 4.257,421 1.433,422 2.843,423 1.519,424 4.28,425 2.365,426 1.375,427 1.879,428 3.586,429 1.355,430 2.625,431 1.326,432 3.666,433 2.17,434 1.236,435 1.668,436 2.989,437 1.151,438 2.5,439 1,440 3.567,441 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 2.22,455 1,456 2.222,457 0.966,458 3.27,459 1.831,460 0.888,461 1.145,463 2.136,464 0.834,465 16.467,466 0.47,467 0.773,468 0.022,469 47.25,470 1.35,471 23,472 0.657,473 24.25,474 0.693,475 30.051,476 0.859,477 36.933,478 0.596,479 36.572,480 1.045,481 9.01,482 0.257,483 8.147,484 0.233,485 0.051,487 0.352,493 0.808,494 1.377,495 0.749,496 1.101,497 0.628,498 0.942,499 0.907,500 1.16,501 0.871,502 1.041,503 0.593,504 0.966,505 1.307,506 1.138,507 1.025,508 0.945,509 0.972,510 0.946,511 0.928,512 0.965,513 0.958,514 0.919,515 0.851,516 0.922,517 1.144,518 1.141,519 0.931,520 0.969,521 1.454,522 0.921,523 1.355,524 0.967,525 1.11,526 0.887,527 1.342,528 0.932,529 0.955,530 1.143,531 1.195,532 1.173,533 0.786,534 1.205,535 0.525,536 0.887,537 1.054,538 1.151,539 0.53,540 1.181,541 7,542 0.199,543 3.111,544 2.042,545 1.604,546 1.379,547 0.724,548 0.411,549 0.39,550 0.251,551 20442,552 49123,553 2.209,554 43.5,556 17,558 1,559 2,561 7,564 1.767,565 2.121,566 3.659,567 0.191,573 96.915,574 1.563,575 3.743,576 4.574,577 4.994,578 5.136,579 5.168,580 3.072,581 4.515,582 5.096,583 3.895,584 2317.78,585 8.947,586 36539.4,591 369.16,592 1.208,593 5.084,594 0.175,595 0.008,596 0.055,597 0.036,598 0.031,599 0.026,600 0.013,601 0.008,602 0.01,603 0.008,604 0.369,605 0.17,606 0.75,607 0.529,608 190.053,610 -0.178,611 0.076,612 -0.07,613 -0.028,615 0.129,616 -0.038,617 0.039,618 -0.057,619 0.122,620 -0.034,621 -0.142,622 -0.115,623 -0.038,624 0.013,625 -0.05,626 -0.001,627 -0.005,628 0.08,629 0.025,630 0.018,631 0.061,632 0.028,633 -0.08,634 -0.107,635 0.037,636 0.003,637 -0.066,638 0.035,639 -0.238,640 0.133,641 -0.152,642 0.051,643 -0.174,644 -0.016,645 -0.056,646 -0.063,647 -0.275,648 -0.187,649 -0.105,650 -0.25,651 0.152,652 0.058,653 -0.093,654 -0.126,655 0.096,656 -0.145,657 1.96,658 5.33,659 0.829,660 42.367,661 1.003,662 1.13,663 4.15,664 17.226,665 0.67,666 3.714,667 4.06,668 4.369,669 4.691,670 4.942,671 5.106,672 5.308,673 5.485,674 5.645,675 5.808,676 8.011,677 0.643,678 469.6,679 3.714,680 5.273,681 6.142,682 7.036,683 7.921,684 8.822,685 9.716,686 10.623,687 11.523,688 12.433,689 11.3,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 62,733 23,734 2,735 40,737 67,738 26,739 17,740 3,741 9,746 6,747 8,751 1,752 1,755 4,758 4,761 18,762 8,766 1,771 1,775 1,781 27,782 8,783 2,784 9,790 7,794 0.667,795 2,801 1,803 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,844 1,848 35,854 5,855 2,856 1,858 2,859 1,870 3.2,873 1,874 1,877 16.5,878 11.333,879 7.556,880 3.964,881 4.003,882 1.46,883 1.031,884 5.944,885 12.709,886 3.97,887 4.577,888 5.178,889 5.805,890 6.357,891 6.726,892 7.223,893 7.689,894 8.033,895 8.449,896 0.889,897 56,898 12.962,900 5.641,901 7.614,902 25.113,904 21.318,905 2.114,906 74,910 294.278,911 136.464,912 91.156,914 36.145,917 136.464,918 330.422,919 91.156,920 8.825,921 47.408,922 85.286,923 99.865,924 27.548,925 6.604,926 282.506,928 294.278,929 227.62,930 36.145,933 214.208,934 107.543,935 11,937 68.772,938 106.286,939 50.234,941 294.278,942 127.301,943 136.464,946 294.278,947 33.305,948 108.06,949 36.022,950 86.379,951 294.278,952 127.301,953 136.464,955 0.583,956 0.343,957 0.194,958 0.104,959 30,960 12,961 0.075,962 5,963 3,964 1.172,965 4.68,966 348.32,967 0.207,968 28,969 163.525,974 22.171,975 9.384,976 4.528,977 1.795,978 125.525,979 18.791,980 14.396,984 3.852,985 1.906,986 36.022,987 558.043,988 52,993 12.33,997 -0.294,999 62.203,1000 70.059,1001 0.263,1002 0.629,1003 0.768,1004 0.839,1005 0.863,1006 0.868,1007 5.223,1008 1.879,1009 6.125,1010 5.638,1011 4.745,1012 5.265,1013 2.109,1014 6.946,1015 4.654,1016 6.419,1017 1.759,1018 7.681,1019 5.444,1020 4.29,1021 5.027,1022 1.305,1023 7.818,1024 4.144,1025 7.722,1026 1.5,1027 9.333,1028 5.114,1029 6.347,1030 7.456,1031 2.545,1032 10.942,1033 6.158,1034 9.06,1035 1.375,1036 11.042,1037 4.257,1038 6.723,1039 8.088,1040 2.354,1041 12.665,1042 6.468,1043 10.431,1044 1.236,1045 12.79,1046 3.586,1047 8.223,1048 9.982,1049 3.285,1050 15.3,1051 7.93,1052 11.826,1053 1,1054 14.565,1055 2.989,1056 8.992,1057 11.05,1058 3.414,1059 17.402,1060 8.632,1061 13.241,1062 1,1063 16.36,1064 2.275,1065 10.267,1066 12.72,1067 4.168,1068 19.878,1069 9.867,1070 3.264,1071 0.888,1072 18.173,1073 2.22,1074 11.229,1075 14.017,1076 4.466,1077 22.153,1078 10.765,1079 2.882,1080 11.414,1081 19.999,1082 2.136,1083 12.415,1084 15.593,1085 5.115,1086 24.582,1087 11.906,1088 2.796,1089 9.109,1090 21.837,1091 4.627,1092 13.473,1093 17.006,1094 5.504,1095 26.938,1096 12.902,1097 2.645,1098 8.944,1099 23.685,1100 3.792,1101 14.629,1102 18.546,1103 6.092,1104 29.357,1105 14.009,1106 2.465,1107 7.727,1108 25.542,1109 3.479,1110 15.736,1111 20.017,1112 6.531,1113 31.751,1114 15.057,1115 2.388,1116 7.63,1117 27.406,1118 3.315,1119 16.885,1120 21.545,1121 7.084,1122 34.171,1123 16.155,1124 1.955,1125 6.924,1126 29.277,1127 3.148,1128 18.018,1129 23.045,1130 7.551,1131 36.584,1132 17.231,1133 18525,1134 28894,1135 27.739,1136 41.563,1137 60.528,1138 61.402,1139 61.115,1140 60.207,1141 60.204,1142 77.653,1143 7.126,1144 175.554,1145 57.589,1146 5.675,1147 5.562,1148 6.647,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 11.399,1156 1.513,1157 1.535,1158 1.528,1159 1.505,1160 1.505,1161 1.941,1162 0.178,1163 4.389,1164 1.44,1165 4.132,1166 4.182,1167 4.108,1168 3.977,1169 7.431,1170 4.002,1171 3.923,1172 3.961,1173 3.866,1174 3.827,1175 5.137,1176 3.829,1177 3.898,1178 3.941,1179 3.807,1180 3.794,1181 4.78,1182 3.795,1183 3.859,1184 3.895,1185 3.786,1186 3.715,1187 4.742,1188 3.726,1189 3.493,1190 3.566,1191 3.416,1192 3.283,1193 4.67,1194 3.29,1195 3.404,1196 3.456,1197 3.308,1198 3.152,1199 4.484,1200 3.191,1201 3.205,1202 3.299,1203 3.038,1204 2.983,1205 4.05,1206 2.986,1207 3.116,1208 3.184,1209 3.022,1210 2.951,1211 3.976,1212 2.946,1213 0.117,1214 0.089,1215 0.171,1216 0.105,1217 0.082,1218 4.675,1219 0.116,1220 3.562,1221 0.041,1222 6.845,1223 0.285,1224 4.211,1225 0.077,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.921,1233 2.032,1234 2.085,1235 1.255,1236 2.066,1237 1.886,1238 1.854,1239 2.006,1240 1.999,1241 1.224,1242 2,1243 1.791,1244 1.754,1245 1.907,1246 1.934,1247 1.112,1248 1.934,1249 1.619,1250 1.557,1251 1.86,1252 1.874,1253 1.061,1254 1.863,1255 1.604,1256 1.543,1257 1.85,1258 1.76,1259 1.042,1260 1.798,1261 1.509,1262 1.444,1263 1.681,1264 1.72,1265 0.835,1266 1.711,1267 1.277,1268 1.233,1269 1.404,1270 1.565,1271 0.496,1272 1.523,1273 1.102,1274 1.026,1275 1.296,1276 1.388,1277 0.375,1278 1.38,1279 4.394,1281 5.733,1282 3.045,1283 7.262,1284 5.416,1285 8.877,1286 7.506,1287 10.541,1289 2.059,1295 4.593,1296 5.688,1297 6.039,1299 0.52,1300 2.324,1305 39.847,1306 96.915,1307 232.053,1308 283.611,1309 309.65,1310 318.405,1311 320.405,1312 49.678,1313 8.705,1314 97.2,1315 97.2,1316 34,1317 12.95,1318 4.585,1319 3.7,1320 47.176,1321 165,1322 193,1323 0.135,1324 239.162,1325 406.14,1326 575.316,1327 84233,1329 23.777,1330 0.679,1331 0.558,1332 23.777,1333 19.516,1334 17.157,1335 0.429,1336 0.301,1337 11.857,1338 16.459,1339 11.653,1340 9.587,1341 17.157,1342 12.035,1343 15.607,1344 0.274,1345 0.157,1346 15.607,1347 8.953,1348 13.532,1349 0.173,1350 0.084,1351 13.532,1352 6.551,1353 11.948,1354 0.111,1355 0.045,1356 11.948,1357 4.847,1358 9.653,1359 0.069,1360 0.024,1361 9.653,1362 3.31,1363 0.215,1364 107.575,1365 0.19,1366 32.407,1367 0.363,1368 194,1369 532.362,1370 215.519,1371 514.411,1372 724.63,1373 486,1374 232,1375 558.863,1376 254.716,1377 559.156,1378 827.76,1379 530,1380 7.18}
{0 CHEMBL565808,1 1.58,2 14.237,3 2.169,4 4.704,5 142.876,6 7.444,7 0.512,8 4.355,9 4.488,10 3.935,11 3.832,12 5.417,13 3.832,14 4.923,15 5.115,16 4.31,17 4.24,18 5.952,19 4.224,20 5.167,21 5.383,22 4.317,23 4.379,24 6.137,25 4.317,26 5.218,27 5.488,28 4.269,29 4.34,30 6.154,31 4.26,32 5.098,33 5.331,34 4.324,35 4.304,36 6.149,37 4.265,38 5.093,39 5.301,40 4.349,41 4.374,42 6.127,43 4.338,44 5.145,45 5.346,46 4.307,47 4.432,48 6.13,49 4.355,50 5.214,51 5.467,52 4.179,53 4.399,54 6.114,55 4.276,56 0.068,57 1.132,58 14.442,59 5.537,60 11.172,61 7.796,62 0.479,63 1.791,64 28.823,65 9.036,66 35.783,67 13.191,68 0.596,69 2.108,70 38.613,71 11.999,72 51.025,73 17.637,74 0.601,75 2.111,76 42.924,77 12.604,78 58.96,79 19.664,80 0.573,81 1.962,82 36.735,83 10.772,84 63.146,85 16.36,86 0.525,87 2.071,88 34.887,89 10.185,90 51.613,91 15.189,92 0.538,93 2.149,94 36.019,95 12.252,96 45.451,97 17.879,98 0.531,99 2.093,100 41.478,101 14.507,102 61.156,103 21.571,104 13,105 61,106 0.246,107 0.59,108 0.751,109 0.819,110 0.83,111 0.83,112 3.668,113 0.899,114 -4.13,115 -4.07,116 -3.85,119 39.1,121 2,124 2,125 4,127 2,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 3,175 10,178 2,179 1,180 3,183 4,186 3,187 7,190 1,192 3,195 2,198 6,199 9,204 4,207 1,211 3,212 12,215 1,217 3,220 4,224 7,227 2,229 1,232 4,236 5,237 12,245 6,249 2,250 6,253 4,255 1,258 7,263 5,266 1,271 5,275 3158,276 25.996,277 25.996,278 25.996,279 25.996,280 25.996,281 23.332,282 31.969,283 15.37,284 26.682,285 21.323,286 21.323,287 21.323,288 21.323,289 21.323,290 17.236,291 44.939,292 7.448,293 22.474,294 4.529,295 2.319,296 1.283,297 0.844,298 0.776,299 0.776,300 4.385,306 1209,307 3.937,310 182.812,311 469.246,312 118.871,314 166.25,318 2.172,319 31.567,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 82.5,331 541,332 4.676,333 3.562,334 6.846,335 4.213,336 3.265,337 4.627,338 1.656,339 11.42,340 3.094,341 4.173,342 3.4,343 6.155,344 3.817,345 2.883,346 3.792,347 0.86,348 9.127,349 2.74,350 3.992,351 3.151,352 6.11,353 3.769,354 2.799,355 3.479,356 0.8,357 8.949,358 2.661,359 3.97,360 2.804,361 5.653,362 3.608,363 2.646,364 3.317,365 0.8,366 7.747,367 2.538,368 3.774,369 2.742,370 5.567,371 3.416,372 2.482,373 3.148,374 0.247,375 7.631,376 2.327,377 3.649,378 2.549,379 5.323,380 3.348,381 2.388,382 2.768,384 6.924,385 2.274,386 3.402,387 2.536,388 5.038,389 3.103,390 2.191,391 2.652,393 5.656,394 1.997,395 3.22,396 2.397,397 4.879,398 2.943,399 1.954,400 2.246,402 5.638,403 1.92,404 2.969,405 2.093,406 4.679,407 2.839,408 1.879,409 2.174,411 5.114,412 1.794,413 2.926,414 1.943,415 4.636,416 2.671,417 1.729,418 1.996,420 4.99,421 1.623,422 2.879,423 1.535,424 4.41,425 2.449,426 1.5,427 1.974,428 4.256,429 1.42,430 2.843,431 1.519,432 4.269,433 2.339,434 1.375,435 1.879,436 3.613,437 1.321,438 2.623,439 1.328,440 3.666,441 2.165,442 1.231,443 1.666,445 2.989,446 1.146,447 2.5,448 1,449 3.567,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1,458 3.414,459 1.956,460 1,461 1.5,463 2.253,464 0.953,465 17.767,466 0.468,467 0.917,468 0.024,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 34.345,476 0.904,477 41.033,478 0.595,479 40.995,480 1.079,481 9.724,482 0.256,483 8.789,484 0.231,485 0.075,487 0.349,493 0.839,494 1.559,495 0.766,496 1.207,497 0.63,498 1.007,499 1.058,500 1.079,501 0.893,502 0.923,503 0.621,504 0.881,505 1.231,506 1.177,507 1.088,508 1.073,509 0.99,510 1.069,511 0.805,512 0.934,513 0.848,514 0.885,515 0.768,516 0.863,517 1.08,518 1.036,519 0.852,520 0.851,521 1.31,522 0.815,523 1.325,524 1.018,525 1.106,526 0.906,527 1.245,528 0.942,529 0.931,530 1.179,531 1.206,532 1.238,533 0.83,534 1.257,535 0.578,536 0.998,537 0.983,538 1.143,539 0.509,540 1.13,541 8,542 0.312,543 3.333,544 2.042,545 1.684,546 1.545,547 0.856,548 0.477,549 0.529,550 0.311,551 24749,552 60658,553 2.175,554 44.9,556 22,558 3,559 2,561 4,564 1.789,565 2.073,566 3.73,567 0.201,573 108.997,574 1.58,575 3.79,576 4.825,577 5.264,578 5.333,579 5.333,580 3.215,581 4.722,582 5.212,583 3.967,584 2788.78,585 9.198,586 46854.5,591 421.488,592 1.275,593 5.196,594 0.186,595 0.008,596 0.055,597 0.035,598 0.03,599 0.025,600 0.014,601 0.008,602 0.011,603 0.007,604 0.378,605 0.33,606 0.63,607 0.842,608 211.534,609 -0.006,610 -0.304,611 0.082,612 -0.131,613 -0.01,614 -0.03,615 0.03,616 0.069,617 0.046,618 0.061,619 0.114,620 0.058,621 -0.117,622 -0.13,623 -0.12,624 -0.084,625 -0.072,626 -0.108,627 0.065,628 0.046,629 0.148,630 0.07,631 0.104,632 0.117,633 -0.001,635 0.132,636 0.117,637 0.035,638 0.144,639 -0.256,640 0.119,641 -0.156,642 0.054,643 -0.175,644 -0.013,645 -0.044,646 -0.063,647 -0.288,648 -0.221,649 -0.131,650 -0.283,651 0.134,652 -0.023,653 -0.029,654 -0.114,655 0.123,656 -0.101,657 2.002,658 5.375,659 0.763,660 51.906,661 1.004,662 1.137,663 2.897,664 8.394,665 0.657,666 3.784,667 4.127,668 4.407,669 4.727,670 4.99,671 5.165,672 5.38,673 5.576,674 5.746,675 5.924,676 8.402,677 0.629,678 513.67,679 3.784,680 5.342,681 6.201,682 7.091,683 7.969,684 8.868,685 9.758,686 10.663,687 11.562,688 12.471,689 13,692 1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 69,733 23,734 1,735 43,737 74,738 27,739 16,740 2,741 4,746 6,747 8,751 1,755 4,758 4,761 17,762 10,766 1,771 1,775 1,781 31,782 10,783 2,784 11,790 9,794 0.667,795 2,801 1,803 1,805 1,806 1,811 2,812 4,813 1,815 1,836 1,839 1,840 4,844 2,848 38,854 6,855 2,856 1,858 2,859 2,870 2.9,873 1,874 1,877 18.333,878 12.9,879 8.139,880 4.125,881 3.978,882 1.45,883 1.011,884 7.045,885 12.821,886 4.025,887 4.618,888 5.195,889 5.82,890 6.379,891 6.758,892 7.266,893 7.741,894 8.095,895 8.52,896 1,897 59,898 14.064,900 6.048,901 7.618,902 27.214,904 22.801,905 2.118,906 80.5,910 341.362,911 136.203,912 111.066,914 36.145,917 136.203,918 377.507,919 111.066,920 16.793,921 49.513,922 56.857,923 140.193,924 48.767,925 6.604,926 306.049,928 341.362,929 247.27,930 36.145,933 296.605,934 72.229,935 11,937 83.272,938 94.65,939 67.02,941 341.362,942 147.211,943 136.203,946 341.362,947 35.411,948 108.818,949 36.022,950 103.164,951 341.362,952 147.211,953 136.203,955 0.584,956 0.327,957 0.182,958 0.102,959 31,960 13,961 0.095,962 7,963 3,964 1.172,965 4.892,966 386.182,967 0.207,968 28,969 187.421,974 24.895,975 10.753,976 5.571,977 1.78,978 145.435,979 16.237,980 18.655,984 3.683,985 1.956,986 36.022,987 624.776,988 55,993 12.375,997 -0.336,999 69.29,1000 78.471,1001 0.259,1002 0.62,1003 0.79,1004 0.862,1005 0.873,1006 0.873,1007 5.281,1008 1.954,1009 6.184,1010 5.656,1011 4.812,1012 5.306,1013 2.219,1014 6.993,1015 4.709,1016 6.471,1017 1.879,1018 7.733,1019 5.638,1020 4.369,1021 5.066,1022 1.404,1023 7.847,1024 4.211,1025 7.769,1026 1.729,1027 9.378,1028 5.114,1029 6.402,1030 7.474,1031 2.581,1032 10.965,1033 6.194,1034 9.099,1035 1.5,1036 11.08,1037 4.99,1038 6.77,1039 8.101,1040 2.382,1041 12.676,1042 6.504,1043 10.463,1044 1.375,1045 12.82,1046 4.256,1047 8.263,1048 9.989,1049 3.295,1050 15.312,1051 7.952,1052 11.852,1053 1.231,1054 14.589,1055 3.613,1056 9.021,1057 11.054,1058 3.421,1059 17.409,1060 8.651,1061 13.262,1062 1,1063 16.38,1064 2.989,1065 10.294,1066 12.723,1067 4.17,1068 19.886,1069 9.878,1070 3.265,1071 1,1072 18.189,1073 2.275,1074 11.249,1075 14.019,1076 4.467,1077 22.16,1078 10.775,1079 2.883,1080 11.42,1081 20.012,1082 2.253,1083 12.434,1084 15.595,1085 5.115,1086 24.59,1087 11.912,1088 2.799,1089 9.127,1090 21.847,1091 4.627,1092 13.487,1093 17.007,1094 5.504,1095 26.945,1096 12.908,1097 2.646,1098 8.949,1099 23.693,1100 3.792,1101 14.642,1102 18.547,1103 6.092,1104 29.365,1105 14.013,1106 2.482,1107 7.747,1108 25.549,1109 3.479,1110 15.747,1111 20.018,1112 6.531,1113 31.759,1114 15.061,1115 2.388,1116 7.631,1117 27.412,1118 3.317,1119 16.896,1120 21.546,1121 7.084,1122 34.18,1123 16.158,1124 2.191,1125 6.924,1126 29.282,1127 3.148,1128 18.027,1129 23.047,1130 7.551,1131 36.593,1132 17.234,1133 22729,1134 35801,1135 29.531,1136 45.336,1137 65.274,1138 65.92,1139 65.45,1140 64.826,1141 64.812,1142 82.271,1143 8.726,1144 187.261,1145 61.515,1146 5.676,1147 5.562,1148 6.648,1149 5.319,1150 5.265,1151 7.627,1152 2.912,1153 18.861,1154 5.094,1155 15.04,1156 1.518,1157 1.533,1158 1.522,1159 1.508,1160 1.507,1161 1.913,1162 0.203,1163 4.355,1164 1.431,1165 4.135,1166 4.185,1167 4.11,1168 3.978,1169 7.431,1170 4.003,1171 3.911,1172 3.953,1173 3.859,1174 3.802,1175 5.137,1176 3.81,1177 3.896,1178 3.941,1179 3.801,1180 3.744,1181 4.908,1182 3.753,1183 3.845,1184 3.887,1185 3.782,1186 3.713,1187 4.751,1188 3.723,1189 3.645,1190 3.73,1191 3.51,1192 3.426,1193 4.67,1194 3.433,1195 3.432,1196 3.487,1197 3.379,1198 3.163,1199 4.487,1200 3.21,1201 3.323,1202 3.402,1203 3.229,1204 3.066,1205 4.299,1206 3.09,1207 3.138,1208 3.225,1209 3.033,1210 2.951,1211 4.052,1212 2.941,1213 0.109,1214 0.083,1215 0.159,1216 0.098,1217 0.076,1218 4.676,1219 0.108,1220 3.562,1221 0.039,1222 6.846,1223 0.266,1224 4.213,1225 0.072,1226 3.265,1227 4.627,1228 1.656,1229 11.42,1230 3.094,1231 1.951,1232 1.921,1233 2.029,1234 2.087,1235 1.255,1236 2.066,1237 1.825,1238 1.784,1239 1.936,1240 1.99,1241 1.227,1242 1.975,1243 1.789,1244 1.751,1245 1.917,1246 1.934,1247 1.155,1248 1.934,1249 1.666,1250 1.59,1251 1.886,1252 1.921,1253 1.101,1254 1.914,1255 1.604,1256 1.543,1257 1.86,1258 1.769,1259 0.945,1260 1.798,1261 1.554,1262 1.501,1263 1.711,1264 1.76,1265 0.873,1266 1.755,1267 1.344,1268 1.252,1269 1.602,1270 1.641,1271 0.722,1272 1.626,1273 1.264,1274 1.216,1275 1.417,1276 1.559,1277 0.496,1278 1.514,1279 4.466,1281 5.802,1282 3.045,1283 7.319,1284 5.416,1285 8.923,1286 7.506,1287 10.577,1289 4.098,1295 5.407,1296 5.621,1297 6.074,1299 0.489,1300 4.461,1305 43.417,1306 108.997,1307 261.501,1308 332.959,1309 363.224,1310 367.978,1311 367.978,1312 57.222,1313 8.843,1314 113.33,1315 113.33,1316 34,1317 12.989,1318 4.585,1319 3.7,1320 53.039,1321 185,1322 226,1323 0.134,1324 262.343,1325 445.44,1326 631.877,1327 97244,1329 26.062,1330 0.686,1331 0.567,1332 26.062,1333 21.54,1334 18.513,1335 0.431,1336 0.3,1337 12.652,1338 17.628,1339 12.372,1340 10.217,1341 18.513,1342 12.888,1343 17.17,1344 0.281,1345 0.165,1346 17.17,1347 10.04,1348 14.123,1349 0.174,1350 0.085,1351 14.123,1352 6.899,1353 12.347,1354 0.11,1355 0.045,1356 12.347,1357 4.989,1358 10.174,1359 0.07,1360 0.024,1361 10.174,1362 3.455,1363 0.212,1364 116.991,1365 0.184,1366 34.615,1367 0.362,1368 208,1369 585.653,1370 232.322,1371 564.348,1372 786.07,1373 532,1374 246,1375 596.384,1376 272.269,1377 600.509,1378 881.88,1379 564,1380 6.629}
{0 CHEMBL565987,1 1.58,2 15.184,3 3.08,4 9.488,5 144.347,6 7.444,7 0.512,8 4.355,9 4.488,10 3.935,11 3.832,12 5.419,13 3.832,14 4.922,15 5.114,16 4.325,17 4.24,18 5.959,19 4.225,20 5.158,21 5.373,22 4.353,23 4.379,24 6.157,25 4.33,26 5.195,27 5.449,28 4.282,29 4.362,30 6.184,31 4.29,32 5.101,33 5.323,34 4.272,35 4.332,36 6.147,37 4.266,38 5.092,39 5.321,40 4.274,41 4.323,42 6.073,43 4.272,44 5.063,45 5.264,46 4.253,47 4.347,48 6.071,49 4.279,50 5.171,51 5.426,52 4.093,53 4.332,54 6.118,55 4.204,56 0.068,57 1.132,58 14.442,59 5.537,60 10.874,61 7.796,62 0.482,63 1.792,64 28.817,65 9.163,66 35.569,67 13.334,68 0.576,69 2.115,70 38.211,71 11.55,72 51.105,73 17.132,74 0.608,75 2.129,76 40.997,77 11.873,78 60.552,79 18.381,80 0.493,81 1.957,82 36.09,83 11.923,84 62.344,85 17.525,86 0.513,87 1.978,88 35.992,89 10.661,90 48.727,91 16.05,92 0.55,93 1.977,94 33.284,95 10.922,96 40.904,97 16.075,98 0.536,99 1.946,100 40.086,101 14.004,102 65.567,103 20.627,104 21,105 62,106 0.246,107 0.591,108 0.766,109 0.813,110 0.824,111 0.824,112 3.668,113 0.902,114 -4.94,115 -4.84,116 -4.54,119 39.1,120 1,121 2,124 2,125 3,127 2,142 6,143 2,144 2,145 2,147 2,149 1,159 1,161 1,166 1,172 6,174 4,175 12,178 2,179 1,180 3,183 4,186 2,187 9,190 1,192 3,195 2,198 5,199 10,204 4,207 2,211 2,212 11,215 2,217 3,220 4,224 9,227 2,229 1,232 5,236 4,237 11,240 1,245 8,249 2,250 4,253 4,255 1,258 9,263 6,266 1,271 7,275 2960,276 25.952,277 25.952,278 25.952,279 25.952,280 25.952,281 23.341,282 35.594,283 14.979,284 26.658,285 21.202,286 21.202,287 21.202,288 21.202,289 21.202,290 17.064,291 49.724,292 7.091,293 22.363,294 4.529,295 2.308,296 1.189,297 0.884,298 0.815,299 0.815,300 4.383,306 1295,307 3.873,310 188.571,311 477.348,312 121.917,314 171.681,318 2.385,319 31.695,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 82.5,331 577,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.175,342 3.399,343 6.152,344 3.817,345 2.882,346 3.793,347 0.86,348 9.109,349 2.74,350 4.118,351 3.148,352 6.11,353 3.772,354 2.814,355 3.69,356 0.8,357 8.944,358 2.659,359 3.986,360 2.982,361 5.932,362 3.729,363 2.776,364 3.319,365 0.8,366 8.25,367 2.631,368 3.851,369 2.795,370 5.65,371 3.526,372 2.575,373 3.169,374 0.247,375 7.726,376 2.44,377 3.673,378 2.72,379 5.552,380 3.384,381 2.455,382 2.953,384 7.552,385 2.277,386 3.616,387 2.479,388 5.302,389 3.277,390 2.322,391 2.763,393 6.832,394 2.211,395 3.321,396 2.385,397 5.009,398 2.885,399 1.896,400 2.536,402 5.638,403 1.861,404 2.977,405 2.093,406 4.879,407 2.839,408 1.879,409 2.155,411 5.443,412 1.794,413 2.948,414 1.961,415 4.667,416 2.705,417 1.757,418 2.057,420 5.062,421 1.66,422 2.879,423 1.535,424 4.413,425 2.434,426 1.481,427 1.879,428 4.248,429 1.406,430 2.625,431 1.472,432 4.28,433 2.176,434 1.245,435 1.669,436 3.586,437 1.157,438 2.5,439 1.326,440 3.769,441 2.156,442 1.22,443 1.5,445 2.908,446 1.139,447 2.5,448 1,449 3.663,450 2,451 1,452 1.5,454 2.275,455 1,456 2.451,457 1,458 3.414,459 1.956,460 1,461 1.44,463 2.275,464 0.953,465 17.767,466 0.468,467 0.968,468 0.025,469 50.5,470 1.329,471 23.5,472 0.618,473 27,474 0.711,475 34.288,476 0.902,477 41.033,478 0.595,479 41.122,480 1.082,481 9.667,482 0.254,483 8.795,484 0.231,485 0.103,487 0.377,493 0.839,494 1.559,495 0.766,496 1.207,497 0.65,498 1.007,499 0.99,500 1.073,501 0.838,502 0.915,503 0.597,504 0.857,505 1.276,506 1.209,507 1.041,508 1.023,509 0.982,510 1.006,511 0.962,512 0.924,513 0.98,514 0.897,515 0.9,516 0.917,517 0.94,518 1.118,519 0.943,520 1.064,521 1.334,522 1.017,523 1.188,524 0.985,525 1.011,526 0.89,527 1.141,528 0.904,529 0.961,530 1.15,531 1.187,532 1.182,533 0.792,534 1.206,535 0.647,536 0.944,537 1.012,538 1.154,539 0.716,540 1.145,541 8.5,542 0.241,543 4,544 2.354,545 1.875,546 1.615,547 0.806,548 0.53,549 0.439,550 0.331,551 25997,552 62602,553 2.159,554 44.9,556 20,558 2,559 2,561 7,564 1.784,565 2.036,566 3.808,567 0.201,573 108.997,574 1.58,575 3.8,576 4.92,577 5.224,578 5.293,579 5.293,580 3.255,581 4.669,582 5.216,583 4.07,584 2860.9,585 9.172,586 48949.6,591 421.488,592 1.36,593 5.187,594 0.198,595 0.008,596 0.065,597 0.038,598 0.033,599 0.028,600 0.014,601 0.01,602 0.01,603 0.009,604 0.411,605 0.17,606 0.63,607 0.704,608 213.405,609 -0.006,610 -0.304,611 0.082,612 -0.131,613 -0.031,614 -0.03,615 0.089,616 0.07,617 0.102,618 0.073,619 0.139,620 0.086,621 -0.137,622 -0.152,623 -0.07,624 -0.042,625 -0.045,626 -0.052,627 -0.051,628 0.109,629 0.002,630 0.051,631 0.019,632 0.043,633 0.032,634 -0.09,635 0.015,636 -0.05,637 -0.017,638 -0.027,639 -0.169,640 0.083,641 -0.043,642 0.077,643 -0.112,644 0.05,645 -0.02,646 -0.027,647 -0.262,648 -0.179,649 -0.076,650 -0.244,651 0.13,652 0.012,653 -0.048,654 -0.126,655 0.133,656 -0.117,657 2.008,658 5.51,659 0.763,660 49.205,661 1.004,662 1.137,663 3.709,664 13.759,665 0.657,666 3.784,667 4.143,668 4.443,669 4.745,670 4.997,671 5.176,672 5.366,673 5.525,674 5.673,675 5.844,676 8.932,677 0.629,678 513.67,679 3.784,680 5.352,681 6.221,682 7.116,683 8,684 8.9,685 9.793,686 10.697,687 11.595,688 12.502,689 13,695 2,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 2,731 69,733 23,734 1,735 43,737 74,738 27,739 16,740 2,741 4,746 6,747 8,751 1,752 1,755 4,758 4,761 17,762 10,766 1,771 1,775 1,781 31,782 10,783 2,784 11,790 9,794 0.667,795 2,801 1,803 1,805 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,844 3,848 38,854 5,855 2,856 1,858 2,859 2,870 2.9,873 1,874 1,877 18.667,878 13.317,879 8.167,880 4.28,881 4.11,882 1.461,883 1.011,884 6.806,885 13.032,886 4.025,887 4.637,888 5.236,889 5.851,890 6.408,891 6.791,892 7.269,893 7.71,894 8.044,895 8.464,896 0.9,897 62,898 14.062,900 6.058,901 7.623,902 27.172,904 22.768,905 2.123,906 80.667,910 341.362,911 136.203,912 111.066,914 36.145,917 136.203,918 377.507,919 111.066,920 25.618,921 47.408,922 56.857,923 128.422,924 39.72,925 8.932,926 317.82,928 341.362,929 247.27,930 36.145,933 261.292,934 107.543,935 11,937 77.82,938 100.103,939 67.02,941 341.362,942 147.211,943 136.203,946 341.362,947 35.633,948 108.595,949 36.022,950 103.164,951 341.362,952 147.211,953 136.203,955 0.589,956 0.345,957 0.187,958 0.101,959 32,960 14,961 0.081,962 6,963 3,964 1.172,965 4.888,966 384.245,967 0.207,968 28,969 184.666,974 24.895,975 10.389,976 5.164,977 1.779,978 145.435,979 14.698,980 18.74,984 4.488,985 1.902,986 36.022,987 624.776,988 55,993 12.51,997 -0.342,999 69.29,1000 78.471,1001 0.259,1002 0.622,1003 0.805,1004 0.855,1005 0.867,1006 0.867,1007 5.291,1008 1.896,1009 6.217,1010 6.832,1011 4.828,1012 5.325,1013 2.219,1014 7.043,1015 4.723,1016 6.494,1017 1.879,1018 7.783,1019 5.638,1020 4.443,1021 5.147,1022 1.404,1023 7.936,1024 4.281,1025 7.804,1026 1.757,1027 9.442,1028 5.443,1029 6.444,1030 7.52,1031 2.581,1032 11.035,1033 6.232,1034 9.146,1035 1.481,1036 11.156,1037 5.062,1038 6.858,1039 8.183,1040 2.382,1041 12.752,1042 6.583,1043 10.52,1044 1.245,1045 12.905,1046 4.248,1047 8.327,1048 10.044,1049 3.295,1050 15.373,1051 8.006,1052 11.916,1053 1.22,1054 14.679,1055 3.586,1056 9.11,1057 11.123,1058 3.421,1059 17.461,1060 8.727,1061 13.331,1062 1,1063 16.472,1064 2.908,1065 10.368,1066 12.775,1067 4.17,1068 19.926,1069 9.939,1070 3.264,1071 1,1072 18.281,1073 2.275,1074 11.332,1075 14.071,1076 4.467,1077 22.191,1078 10.843,1079 2.882,1080 11.414,1081 20.102,1082 2.275,1083 12.506,1084 15.637,1085 5.115,1086 24.611,1087 11.97,1088 2.814,1089 9.109,1090 21.934,1091 4.627,1092 13.56,1093 17.046,1094 5.504,1095 26.96,1096 12.966,1097 2.776,1098 8.944,1099 23.776,1100 3.793,1101 14.707,1102 18.578,1103 6.092,1104 29.374,1105 14.063,1106 2.575,1107 8.25,1108 25.627,1109 3.69,1110 15.808,1111 20.045,1112 6.531,1113 31.763,1114 15.108,1115 2.455,1116 7.726,1117 27.484,1118 3.319,1119 16.95,1120 21.569,1121 7.084,1122 34.181,1123 16.199,1124 2.322,1125 7.552,1126 29.349,1127 3.169,1128 18.077,1129 23.065,1130 7.551,1131 36.59,1132 17.272,1133 23844,1134 37194,1135 29.244,1136 45.336,1137 65.517,1138 66.301,1139 66.763,1140 65.122,1141 65.119,1142 82.756,1143 8.726,1144 191.883,1145 61.772,1146 5.675,1147 5.562,1148 6.387,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 17.636,1156 1.524,1157 1.542,1158 1.553,1159 1.514,1160 1.514,1161 1.925,1162 0.203,1163 4.462,1164 1.437,1165 4.133,1166 4.183,1167 4.109,1168 3.977,1169 7.431,1170 4.002,1171 3.926,1172 3.973,1173 3.878,1174 3.803,1175 5.137,1176 3.813,1177 3.898,1178 3.941,1179 3.817,1180 3.765,1181 4.894,1182 3.776,1183 3.861,1184 3.903,1185 3.789,1186 3.714,1187 4.751,1188 3.724,1189 3.521,1190 3.596,1191 3.446,1192 3.285,1193 4.67,1194 3.299,1195 3.466,1196 3.548,1197 3.341,1198 3.246,1199 4.485,1200 3.258,1201 3.335,1202 3.397,1203 3.209,1204 3.1,1205 4.228,1206 3.122,1207 3.205,1208 3.299,1209 3.024,1210 2.981,1211 4.044,1212 2.984,1213 0.109,1214 0.083,1215 0.159,1216 0.098,1217 0.076,1218 4.675,1219 0.108,1220 3.562,1221 0.039,1222 6.845,1223 0.265,1224 4.211,1225 0.072,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.921,1233 2.029,1234 2.085,1235 1.255,1236 2.065,1237 1.843,1238 1.8,1239 1.949,1240 2.013,1241 1.224,1242 1.996,1243 1.79,1244 1.752,1245 1.907,1246 1.94,1247 1.111,1248 1.936,1249 1.619,1250 1.557,1251 1.86,1252 1.875,1253 1.043,1254 1.864,1255 1.604,1256 1.543,1257 1.85,1258 1.76,1259 1.004,1260 1.798,1261 1.51,1262 1.444,1263 1.717,1264 1.735,1265 0.835,1266 1.726,1267 1.435,1268 1.35,1269 1.68,1270 1.693,1271 0.773,1272 1.696,1273 1.232,1274 1.18,1275 1.417,1276 1.511,1277 0.496,1278 1.479,1279 4.466,1281 5.814,1282 3.045,1283 7.347,1284 5.416,1285 8.963,1286 7.506,1287 10.626,1289 5.89,1295 4.557,1296 5.672,1297 6.048,1299 0.503,1300 4.22,1305 43.417,1306 108.997,1307 262.23,1308 339.449,1309 360.469,1310 365.224,1311 365.224,1312 57.181,1313 8.922,1314 113.33,1315 113.33,1316 34,1317 13.021,1318 4.585,1319 3.7,1320 53.371,1321 203,1322 228,1323 0.125,1324 262.343,1325 445.44,1326 631.877,1327 112708,1329 26.225,1330 0.69,1331 0.573,1332 26.225,1333 21.756,1334 18.462,1335 0.429,1336 0.301,1337 12.692,1338 17.584,1339 12.377,1340 10.241,1341 18.462,1342 12.923,1343 17.128,1344 0.276,1345 0.159,1346 17.128,1347 9.887,1348 14.642,1349 0.174,1350 0.083,1351 14.642,1352 6.984,1353 12.616,1354 0.111,1355 0.044,1356 12.616,1357 5.05,1358 10.13,1359 0.069,1360 0.023,1361 10.13,1362 3.412,1363 0.202,1364 116.6,1365 0.185,1366 34.865,1367 0.329,1368 210,1369 589.653,1370 235.044,1371 568.367,1372 797.4,1373 536,1374 251,1375 613.44,1376 277.907,1377 616.201,1378 908.42,1379 580,1380 6.55}
{0 CHEMBL566004,1 1.598,2 13.571,3 2.379,4 5.659,5 129.604,6 7.715,7 0.55,8 4.244,9 4.37,10 3.855,11 3.746,12 5.327,13 3.751,14 4.803,15 4.977,16 4.242,17 4.154,18 5.873,19 4.142,20 5.06,21 5.279,22 4.25,23 4.268,24 6.055,25 4.222,26 5.035,27 5.279,28 4.187,29 4.223,30 6.048,31 4.164,32 4.952,33 5.164,34 4.205,35 4.204,36 6.043,37 4.162,38 4.968,39 5.177,40 4.216,41 4.246,42 5.997,43 4.207,44 4.991,45 5.189,46 4.172,47 4.288,48 5.989,49 4.215,50 5.074,51 5.328,52 3.975,53 4.255,54 5.988,55 4.117,56 0.079,57 1.008,58 11.95,59 4.955,60 9.403,61 6.588,62 0.405,63 1.617,64 23.836,65 8.375,66 31.941,67 11.483,68 0.602,69 1.909,70 34.356,71 10.586,72 49.232,73 15.032,74 0.532,75 1.871,76 33.906,77 10.302,78 49.635,79 15.262,80 0.482,81 1.734,82 30.102,83 9.84,84 56.335,85 13.966,86 0.488,87 1.814,88 30.01,89 9.358,90 44.923,91 13.193,92 0.472,93 1.846,94 29.726,95 10.508,96 38.161,97 14.768,98 0.528,99 1.807,100 35.883,101 13.097,102 59.305,103 18.933,104 6,105 57,106 0.254,107 0.613,108 0.768,109 0.83,110 0.842,111 0.842,112 3.589,113 0.891,114 -4.45,115 -4.37,116 -4.12,119 41,120 1,121 2,125 3,127 2,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 3,175 11,178 2,179 1,180 3,183 4,186 2,187 8,190 1,192 3,195 2,198 5,199 10,204 4,207 2,211 2,212 11,215 1,217 3,220 4,224 9,227 2,229 1,232 5,236 3,237 11,245 8,249 2,250 4,253 4,255 1,258 9,263 4,266 1,271 7,275 2393,276 24.298,277 24.298,278 24.298,279 24.298,280 24.298,281 21.634,282 29.078,283 14.257,284 24.903,285 19.768,286 19.768,287 19.768,288 19.768,289 19.768,290 15.657,291 39.939,292 6.796,293 20.763,294 4.333,295 2.08,296 1.103,297 0.713,298 0.635,299 0.635,300 4.309,304 1,305 1,306 1078,307 3.391,310 165.65,311 423.598,312 107.566,314 149.985,318 2.147,319 30.374,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 76,331 475,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.172,342 3.399,343 6.152,344 3.816,345 2.882,346 3.792,347 0.86,348 9.109,349 2.74,350 3.99,351 3.148,352 6.11,353 3.766,354 2.796,355 3.479,356 0.8,357 8.944,358 2.659,359 3.969,360 2.796,361 5.65,362 3.607,363 2.645,364 3.315,365 0.247,366 7.727,367 2.538,368 3.773,369 2.72,370 5.567,371 3.4,372 2.465,373 3.148,375 7.63,376 2.32,377 3.643,378 2.547,379 5.323,380 3.344,381 2.388,382 2.766,384 6.924,385 2.261,386 3.402,387 2.399,388 5.009,389 2.944,390 1.955,391 2.652,393 5.638,394 1.92,395 2.982,396 2.093,397 4.879,398 2.839,399 1.879,400 2.179,402 5.444,403 1.794,404 2.956,405 1.961,406 4.677,407 2.706,408 1.759,409 2.058,411 5.114,412 1.66,413 2.879,414 1.535,415 4.414,416 2.449,417 1.5,418 1.974,420 4.257,421 1.42,422 2.843,423 1.519,424 4.28,425 2.339,426 1.375,427 1.879,428 3.586,429 1.321,430 2.625,431 1.326,432 3.666,433 2.17,434 1.236,435 1.668,436 2.989,437 1.151,438 2.5,439 1,440 3.567,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 1.956,451 1,452 1.5,454 2.22,455 0.953,456 2.222,457 0.966,458 3.27,459 1.831,460 0.888,461 1.145,463 2.136,464 0.834,465 16.367,466 0.468,467 0.773,468 0.022,469 47.75,470 1.364,471 23,472 0.657,473 24.75,474 0.707,475 29.77,476 0.851,477 37.033,478 0.607,479 36.853,480 1.053,481 9.091,482 0.26,483 8.067,484 0.23,485 0.051,487 0.354,493 0.818,494 1.443,495 0.731,496 1.132,497 0.62,498 0.947,499 0.94,500 1.161,501 0.863,502 1.023,503 0.611,504 0.945,505 1.282,506 1.115,507 1.027,508 0.947,509 0.967,510 0.951,511 0.919,512 0.956,513 0.954,514 0.919,515 0.849,516 0.922,517 1.058,518 1.098,519 0.931,520 0.976,521 1.387,522 0.939,523 1.244,524 0.974,525 1.084,526 0.908,527 1.17,528 0.943,529 0.935,530 1.17,531 1.193,532 1.21,533 0.771,534 1.233,535 0.551,536 0.884,537 1.049,538 1.148,539 0.536,540 1.178,541 7,542 0.199,543 3.111,544 2.042,545 1.604,546 1.379,547 0.724,548 0.411,549 0.39,550 0.251,551 20442,552 51415,553 2.209,554 42.6,556 14,558 3,559 2,561 7,564 1.767,565 2.121,566 3.659,567 0.219,573 97.467,574 1.598,575 3.85,576 4.828,577 5.217,578 5.295,579 5.295,580 3.072,581 4.515,582 5.096,583 3.895,584 2317.78,585 8.947,586 36539.4,591 361.775,592 1.208,593 5.084,594 0.175,595 0.008,596 0.055,597 0.036,598 0.031,599 0.026,600 0.013,601 0.008,602 0.01,603 0.008,604 0.369,605 0.17,606 0.75,607 0.529,608 190.053,609 -0.015,610 -0.231,611 0.076,612 -0.095,613 -0.018,614 -0.011,615 0.088,616 -0.035,617 0.038,618 -0.04,619 0.111,620 -0.018,621 -0.141,622 -0.097,623 -0.047,624 0.015,625 -0.052,626 -0.004,627 -0.02,628 0.075,629 0.026,630 0.026,631 0.052,632 0.037,633 -0.023,634 -0.066,635 0.026,636 0.006,637 -0.026,638 0.022,639 -0.222,640 0.115,641 -0.143,642 0.046,643 -0.148,644 -0.014,645 -0.063,646 -0.093,647 -0.285,648 -0.212,649 -0.102,650 -0.272,651 0.141,652 0.054,653 -0.079,654 -0.119,655 0.099,656 -0.134,657 2,658 5.302,659 0.829,660 42.367,661 1.007,662 1.133,663 3.215,664 10.338,665 0.669,666 3.714,667 4.06,668 4.369,669 4.691,670 4.942,671 5.106,672 5.308,673 5.485,674 5.645,675 5.808,676 8.011,677 0.645,678 470.59,679 3.714,680 5.273,681 6.142,682 7.036,683 7.921,684 8.822,685 9.716,686 10.623,687 11.523,688 12.433,689 13.1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 61,733 23,734 1,735 40,737 66,738 25,739 16,740 2,741 4,746 6,747 8,751 1,752 1,755 4,758 4,761 17,762 8,766 1,771 1,775 1,781 26,782 9,783 2,784 10,790 8,794 0.667,795 2,801 1,803 1,805 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,844 1,848 35,854 5,855 2,856 1,858 2,859 1,870 3.3,873 1,874 1,877 16.5,878 11.2,879 7.556,880 3.875,881 4.003,882 1.46,883 1.029,884 5.904,885 12.709,886 3.97,887 4.577,888 5.178,889 5.805,890 6.357,891 6.726,892 7.223,893 7.689,894 8.033,895 8.449,896 0.889,897 56,898 12.947,900 5.633,901 7.643,902 24.983,904 21.134,905 2.143,906 75,910 282.506,911 126.13,912 107.942,914 36.145,917 126.13,918 318.651,919 107.942,920 8.825,921 47.408,922 56.857,923 140.193,924 45.643,925 6.604,926 247.193,928 282.506,929 234.072,930 36.145,933 202.437,934 107.543,935 11,937 86.867,938 77.858,939 67.02,941 282.506,942 144.087,943 126.13,946 282.506,947 33.305,948 97.726,949 36.022,950 103.164,951 282.506,952 144.087,953 126.13,955 0.583,956 0.343,957 0.194,958 0.104,959 30,960 12,961 0.076,962 5,963 3,964 1.172,965 4.68,966 348.32,967 0.207,968 28,969 169.525,974 22.11,975 9.346,976 4.506,977 1.784,978 142.31,979 16.181,980 18.377,984 3.696,985 1.901,986 36.022,987 552.723,988 52,993 12.302,997 -0.334,999 61.421,1000 69.142,1001 0.269,1002 0.649,1003 0.814,1004 0.88,1005 0.893,1006 0.893,1007 5.223,1008 1.879,1009 6.125,1010 5.638,1011 4.745,1012 5.265,1013 2.109,1014 6.946,1015 4.647,1016 6.419,1017 1.759,1018 7.681,1019 5.444,1020 4.29,1021 5.027,1022 1.305,1023 7.818,1024 4.144,1025 7.722,1026 1.5,1027 9.333,1028 5.114,1029 6.347,1030 7.456,1031 2.545,1032 10.942,1033 6.147,1034 9.06,1035 1.375,1036 11.042,1037 4.257,1038 6.723,1039 8.088,1040 2.354,1041 12.665,1042 6.467,1043 10.431,1044 1.236,1045 12.79,1046 3.586,1047 8.223,1048 9.982,1049 3.285,1050 15.3,1051 7.92,1052 11.826,1053 1,1054 14.565,1055 2.989,1056 8.992,1057 11.05,1058 3.414,1059 17.402,1060 8.63,1061 13.241,1062 1,1063 16.36,1064 2.275,1065 10.267,1066 12.72,1067 4.168,1068 19.878,1069 9.857,1070 3.264,1071 0.888,1072 18.173,1073 2.22,1074 11.229,1075 14.017,1076 4.466,1077 22.153,1078 10.761,1079 2.882,1080 11.414,1081 19.999,1082 2.136,1083 12.415,1084 15.593,1085 5.115,1086 24.582,1087 11.898,1088 2.796,1089 9.109,1090 21.837,1091 4.627,1092 13.473,1093 17.006,1094 5.504,1095 26.938,1096 12.898,1097 2.645,1098 8.944,1099 23.685,1100 3.792,1101 14.629,1102 18.546,1103 6.092,1104 29.357,1105 14.003,1106 2.465,1107 7.727,1108 25.542,1109 3.479,1110 15.736,1111 20.017,1112 6.531,1113 31.751,1114 15.053,1115 2.388,1116 7.63,1117 27.406,1118 3.315,1119 16.885,1120 21.545,1121 7.084,1122 34.171,1123 16.15,1124 1.955,1125 6.924,1126 29.277,1127 3.148,1128 18.018,1129 23.045,1130 7.551,1131 36.584,1132 17.227,1133 18525,1134 29564,1135 27.739,1136 40.807,1137 60.528,1138 61.402,1139 61.115,1140 60.194,1141 60.204,1142 77.653,1143 7.126,1144 175.554,1145 57.327,1146 5.675,1147 5.562,1148 6.647,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 11.399,1156 1.513,1157 1.535,1158 1.528,1159 1.505,1160 1.505,1161 1.941,1162 0.178,1163 4.389,1164 1.433,1165 4.132,1166 4.182,1167 4.108,1168 3.976,1169 7.431,1170 4.001,1171 3.911,1172 3.953,1173 3.859,1174 3.802,1175 5.137,1176 3.81,1177 3.895,1178 3.941,1179 3.801,1180 3.744,1181 4.908,1182 3.753,1183 3.843,1184 3.885,1185 3.78,1186 3.712,1187 4.752,1188 3.722,1189 3.491,1190 3.565,1191 3.412,1192 3.282,1193 4.67,1194 3.288,1195 3.398,1196 3.45,1197 3.305,1198 3.142,1199 4.485,1200 3.181,1201 3.205,1202 3.299,1203 3.037,1204 2.982,1205 4.061,1206 2.985,1207 3.114,1208 3.182,1209 3.022,1210 2.951,1211 4.009,1212 2.94,1213 0.117,1214 0.089,1215 0.171,1216 0.105,1217 0.082,1218 4.675,1219 0.116,1220 3.562,1221 0.041,1222 6.845,1223 0.285,1224 4.211,1225 0.077,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.921,1233 2.029,1234 2.085,1235 1.255,1236 2.065,1237 1.825,1238 1.784,1239 1.935,1240 1.989,1241 1.224,1242 1.973,1243 1.787,1244 1.75,1245 1.906,1246 1.929,1247 1.111,1248 1.928,1249 1.619,1250 1.557,1251 1.86,1252 1.874,1253 1.043,1254 1.863,1255 1.604,1256 1.543,1257 1.85,1258 1.76,1259 0.944,1260 1.798,1261 1.509,1262 1.444,1263 1.681,1264 1.72,1265 0.835,1266 1.71,1267 1.266,1268 1.221,1269 1.393,1270 1.559,1271 0.496,1272 1.514,1273 1.099,1274 1.023,1275 1.294,1276 1.388,1277 0.366,1278 1.38,1279 4.394,1281 5.733,1282 3.045,1283 7.262,1284 5.416,1285 8.877,1286 7.506,1287 10.541,1289 2.055,1295 4.573,1296 5.598,1297 6.036,1299 0.512,1300 2.319,1305 39.342,1306 97.467,1307 234.868,1308 294.491,1309 318.265,1310 323.02,1311 323.02,1312 49.735,1313 8.705,1314 110.09,1315 110.09,1316 34,1317 12.95,1318 4.585,1319 3.7,1320 47.176,1321 165,1322 193,1323 0.135,1324 236.364,1325 399.84,1326 568.488,1327 84233,1329 23.777,1330 0.679,1331 0.554,1332 23.777,1333 19.386,1334 17.157,1335 0.429,1336 0.297,1337 11.689,1338 16.384,1339 11.499,1340 9.452,1341 17.157,1342 11.885,1343 15.607,1344 0.274,1345 0.155,1346 15.607,1347 8.829,1348 13.532,1349 0.173,1350 0.083,1351 13.532,1352 6.439,1353 11.948,1354 0.111,1355 0.044,1356 11.948,1357 4.763,1358 9.653,1359 0.069,1360 0.023,1361 9.653,1362 3.24,1363 0.215,1364 108.075,1365 0.19,1366 32.407,1367 0.363,1368 194,1369 552.007,1370 216.907,1371 531.651,1372 746.03,1373 502,1374 232,1375 572.975,1376 256.243,1377 572.797,1378 846.32,1379 542,1380 6.83}
{0 CHEMBL566087,1 1.868,2 11.281,3 2.032,4 4.127,5 108.042,6 8.605,7 0.444,8 4.112,9 4.232,10 3.787,11 3.549,12 5.278,13 3.595,14 4.709,15 4.876,16 4.263,17 3.965,18 6.254,19 4.004,20 4.894,21 5.106,22 4.14,23 4.044,24 6.067,25 4.031,26 4.836,27 5.055,28 4.189,29 4.022,30 6.099,31 4.023,32 4.814,33 5.002,34 4.26,35 4.064,36 6.144,37 4.079,38 4.868,39 5.06,40 4.197,41 4.083,42 6.05,43 4.084,44 4.902,45 5.121,46 4.154,47 4.051,48 6.14,49 4.021,50 4.862,51 5.086,52 4.062,53 3.982,54 6.076,55 3.935,56 0.271,57 1.05,58 8.25,59 4.221,60 29.648,61 4.918,62 1.191,63 1.952,64 20.131,65 7.127,66 158.504,67 8.639,68 1.189,69 1.669,70 27.767,71 8.213,72 100.194,73 10.941,74 0.961,75 1.708,76 25.479,77 7.842,78 89.193,79 10.832,80 0.863,81 1.907,82 22.871,83 8.361,84 80.83,85 10.704,86 0.877,87 1.858,88 23.738,89 8.436,90 79.072,91 10.446,92 1.13,93 1.813,94 27.093,95 8.657,96 75.563,97 11.926,98 0.845,99 1.863,100 27.1,101 11.062,102 87.555,103 13.953,104 35,105 54,106 0.31,107 0.696,108 0.84,109 0.865,110 0.865,111 0.865,112 3.503,113 0.84,114 -4.39,115 -4.32,116 -4.07,119 38.5,121 1,124 1,125 3,127 2,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 4,174 3,175 9,178 2,179 1,180 2,183 4,186 2,187 4,192 2,195 2,198 5,199 9,204 3,207 2,211 1,212 8,217 2,220 2,224 10,227 2,229 1,232 3,236 3,237 3,245 2,249 2,250 2,253 4,255 1,258 2,263 2,266 1,275 1804,276 21.315,277 21.315,278 21.315,279 21.315,280 21.315,281 19.402,282 27.014,283 12.128,284 22.107,285 17.767,286 17.767,287 17.767,288 17.767,289 17.767,290 14.694,291 36.968,292 5.778,293 19.136,294 3.832,295 1.509,296 0.644,297 0.491,298 0.491,299 0.491,300 4.205,304 1,305 1,306 794,307 4.123,310 210.709,311 264.469,314 131.525,318 1.764,319 52.537,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 74,331 361,332 4.689,333 4.269,334 6.915,335 4.257,336 3.32,337 4.63,338 3.02,339 11.671,340 3.124,341 4.203,342 3.54,343 6.517,344 3.985,345 3.129,346 3.793,347 1.656,348 10.352,349 2.806,350 4.148,351 3.473,352 6.311,353 3.856,354 2.939,355 3.394,356 0.86,357 9.637,358 2.731,359 4.011,360 3.125,361 6.101,362 3.727,363 2.771,364 3.182,365 0.8,366 8.911,367 2.474,368 3.827,369 2.787,370 5.625,371 3.481,372 2.52,373 3.064,374 0.247,375 7.443,376 2.4,377 3.557,378 2.602,379 5.464,380 3.223,381 2.302,382 2.751,384 7.303,385 2.091,386 3.445,387 2.409,388 5.038,389 3.03,390 2.046,391 2.678,393 5.689,394 1.999,395 2.962,396 2.025,397 4.782,398 2.711,399 1.771,400 2.165,402 5.327,403 1.654,404 2.884,405 1.672,406 4.651,407 2.442,408 1.493,409 1.941,411 4.486,412 1.412,413 2.685,414 1.534,415 4.42,416 2.389,417 1.441,418 1.731,420 4.264,421 1.357,422 2.5,423 1.333,424 4.14,425 2.075,426 1.15,427 1.5,428 3.268,429 1.06,430 2.468,431 1.101,432 3.634,433 2,434 1,435 1.46,436 2.275,437 1,438 2.075,439 1.043,440 3.414,441 1.719,442 0.818,443 0.995,445 2.124,446 0.732,447 1.615,448 1,449 3.259,450 1.495,451 0.575,452 0.596,454 1.504,455 0.524,456 1.52,457 0.785,458 3.127,459 1.33,460 0.403,461 0.432,463 0.63,464 0.372,465 14.324,466 0.448,467 1.041,468 0.033,469 39.5,470 1.234,471 16.5,472 0.516,473 23,474 0.719,475 27.989,476 0.875,477 36.076,478 0.694,479 34.241,480 1.07,481 7.902,482 0.247,483 7.401,484 0.231,485 0.118,486 0.035,487 0.37,490 3,493 0.659,494 1.208,495 0.622,496 1.191,497 0.568,498 0.963,499 0.601,500 0.816,501 0.722,502 0.917,503 0.383,504 0.877,505 0.896,506 0.829,507 1.051,508 0.923,509 0.794,510 1.017,511 0.626,512 0.721,513 0.788,514 0.837,515 0.605,516 0.859,517 0.715,518 1.018,519 0.758,520 1.041,521 0.697,522 0.948,523 0.892,524 1.069,525 1.044,526 1.143,527 0.772,528 1.139,529 0.615,530 0.746,531 0.969,532 1.022,533 0.563,534 1.109,535 0.649,536 1.158,537 0.807,538 1.38,539 0.71,540 1.248,541 8.5,542 0.281,543 3.556,544 1.882,545 1.773,546 1.584,547 0.918,548 0.702,549 0.529,550 0.357,551 13571,552 47317,553 2.108,554 38.5,556 15,558 1,559 2,562 2,564 1.751,565 1.949,566 3.396,567 0.332,569 1,573 97.139,574 1.868,575 4.191,576 5.056,577 5.21,578 5.21,579 5.21,580 2.871,581 4.601,582 4.964,583 3.623,584 1797.11,585 8.721,586 25588.7,588 1,591 296.423,592 1.617,593 4.916,594 0.236,595 0.012,596 0.066,597 0.039,598 0.035,599 0.029,600 0.018,601 0.015,602 0.013,603 0.01,604 0.472,605 0.17,606 0.88,607 1.231,608 165.976,609 -0.061,610 -0.192,611 0.044,612 -0.116,613 -0.069,614 -0.021,615 0.26,616 0.204,617 0.111,618 0.076,619 0.368,620 0.042,621 -0.088,622 0.046,623 -0.141,624 0.036,625 -0.082,626 -0.05,627 0.046,628 0.098,629 0.096,630 0.103,631 0.026,632 0.114,633 0.032,634 -0.065,635 0.092,636 -0.019,637 0.043,638 0.04,639 -0.156,640 -0.128,641 -0.203,642 -0.156,643 -0.101,644 -0.18,645 0.128,646 0.133,647 -0.065,648 -0.057,649 0.057,650 -0.124,651 0.138,652 -0.239,653 0.153,654 -0.301,655 0.085,656 -0.146,657 5.683,658 5.101,659 0.688,660 35.047,661 1.038,662 1.159,663 3.158,664 9.97,665 0.651,666 3.611,667 4.007,668 4.277,669 4.625,670 4.883,671 5.075,672 5.323,673 5.537,674 5.7,675 5.852,676 6.766,677 0.653,678 447.47,679 3.611,680 5.198,681 6.066,682 6.986,683 7.877,684 8.802,685 9.707,686 10.635,687 11.549,688 12.479,689 13.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 52,733 17,734 1,735 36,737 56,738 20,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 3,757 1,758 3,761 12,762 8,766 1,771 1,775 1,778 1,779 3,781 20,782 11,783 2,784 12,790 7,794 0.6,795 2,801 1,803 1,806 1,808 1,811 3,812 3,815 1,839 1,840 3,844 1,846 3,848 32,854 4,855 2,856 1,858 2,859 1,860 1,869 3,870 3.8,873 1,874 1,877 16.417,878 9.595,879 6.708,880 3.017,881 3.124,882 1.378,883 1.011,884 5.284,885 11.399,886 3.829,887 4.451,888 5.028,889 5.678,890 6.255,891 6.714,892 7.253,893 7.733,894 8.095,895 8.503,896 1,897 48,898 12.317,900 5.89,901 8.19,902 21.942,904 18.623,905 2.69,906 86.083,910 211.88,911 93.609,912 91.156,914 36.145,915 44.88,917 93.609,918 248.025,919 136.037,920 8.396,921 47.36,922 37.905,923 99.865,924 69.672,925 6.604,926 200.109,927 7.76,928 211.88,929 184.765,930 81.025,933 190.666,934 93.567,935 11,937 67.659,938 64.545,939 50.234,941 256.76,942 127.301,943 93.609,946 219.639,947 30.501,948 60.25,949 36.022,950 131.259,951 211.88,952 172.182,953 93.609,955 0.598,956 0.329,957 0.179,958 0.1,959 29,960 13,961 0.071,962 4,963 3,964 1.227,965 4.218,966 313.401,967 0.273,968 21,969 151.245,974 21.136,975 7.999,976 4.192,977 0.599,978 170.405,979 8.163,980 13.083,984 2.009,985 0.857,986 36.022,987 477.67,988 45,993 11.495,997 -0.361,999 53.974,1000 60.248,1001 0.328,1002 0.735,1003 0.887,1004 0.914,1005 0.914,1006 0.914,1007 5.124,1008 1.771,1009 6.107,1010 5.689,1011 4.691,1012 5.139,1013 3.087,1014 6.982,1015 4.552,1016 6.353,1017 1.493,1018 7.706,1019 5.327,1020 4.511,1021 5.094,1022 3.192,1023 8.089,1024 4.236,1025 7.687,1026 1.441,1027 9.402,1028 4.486,1029 6.392,1030 7.351,1031 4.666,1032 11.128,1033 6.101,1034 9.052,1035 1.15,1036 11.155,1037 4.264,1038 6.976,1039 8.106,1040 5.505,1041 13,1042 6.553,1043 10.448,1044 1,1045 12.943,1046 3.268,1047 8.386,1048 9.906,1049 6.696,1050 15.613,1051 7.932,1052 11.863,1053 0.818,1054 14.755,1055 2.275,1056 9.292,1057 11.047,1058 7.734,1059 17.792,1060 8.727,1061 13.295,1062 0.575,1063 16.584,1064 2.124,1065 10.536,1066 12.672,1067 8.859,1068 20.27,1069 9.923,1070 3.32,1071 0.403,1072 18.427,1073 1.504,1074 11.582,1075 14.008,1076 9.948,1077 22.583,1078 10.878,1079 3.129,1080 11.671,1081 20.28,1082 0.63,1083 12.767,1084 15.565,1085 11.057,1086 25.018,1087 12.006,1088 2.939,1089 10.352,1090 22.142,1091 4.63,1092 13.877,1093 17,1094 12.158,1095 27.392,1096 13.038,1097 2.771,1098 9.637,1099 24.011,1100 3.793,1101 15.044,1102 18.533,1103 13.264,1104 29.818,1105 14.145,1106 2.52,1107 8.911,1108 25.886,1109 3.394,1110 16.184,1111 20.016,1112 14.368,1113 32.222,1114 15.216,1115 2.302,1116 7.443,1117 27.767,1118 3.182,1119 17.348,1120 21.542,1121 15.474,1122 34.65,1123 16.32,1124 2.046,1125 7.303,1126 29.652,1127 3.064,1128 18.504,1129 23.049,1130 16.579,1131 37.071,1132 17.412,1133 12873,1134 24224,1135 23.868,1136 33.853,1137 55.835,1138 56.554,1139 56.796,1140 55.522,1141 55.359,1142 68.624,1143 13.166,1144 169.771,1145 51.475,1146 5.689,1147 6.269,1148 6.466,1149 5.365,1150 5.32,1151 7.63,1152 4.53,1153 19.28,1154 5.124,1155 17.198,1156 1.551,1157 1.571,1158 1.578,1159 1.542,1160 1.538,1161 1.906,1162 0.366,1163 4.716,1164 1.43,1165 4.138,1166 4.188,1167 4.116,1168 3.979,1169 8.513,1170 4.005,1171 3.907,1172 3.948,1173 3.843,1174 3.804,1175 7.999,1176 3.81,1177 3.883,1178 3.927,1179 3.808,1180 3.707,1181 7.999,1182 3.724,1183 3.576,1184 3.639,1185 3.544,1186 3.284,1187 7.431,1188 3.332,1189 3.51,1190 3.567,1191 3.453,1192 3.222,1193 5.133,1194 3.265,1195 3.209,1196 3.283,1197 3.168,1198 2.987,1199 4.751,1200 3.01,1201 3.041,1202 3.125,1203 2.921,1204 2.811,1205 4.68,1206 2.8,1207 2.972,1208 3.059,1209 2.775,1210 2.735,1211 4.474,1212 2.729,1213 0.13,1214 0.119,1215 0.192,1216 0.118,1217 0.092,1218 4.689,1219 0.129,1220 4.269,1221 0.084,1222 6.915,1223 0.324,1224 4.257,1225 0.087,1226 3.32,1227 4.63,1228 3.02,1229 11.671,1230 3.124,1231 1.948,1232 1.919,1233 2.025,1234 2.078,1235 1.194,1236 2.058,1237 1.778,1238 1.742,1239 1.86,1240 1.94,1241 1.142,1242 1.92,1243 1.555,1244 1.49,1245 1.76,1246 1.851,1247 1.083,1248 1.808,1249 1.51,1250 1.454,1251 1.718,1252 1.751,1253 0.96,1254 1.732,1255 1.453,1256 1.395,1257 1.696,1258 1.686,1259 0.773,1260 1.707,1261 1.418,1262 1.346,1263 1.61,1264 1.654,1265 0.688,1266 1.653,1267 1.114,1268 1.052,1269 1.285,1270 1.41,1271 0.442,1272 1.356,1273 0.965,1274 0.891,1275 1.22,1276 1.315,1277 0.321,1278 1.275,1279 4.29,1281 5.666,1282 3.434,1283 7.217,1284 5.778,1285 8.85,1286 7.854,1287 10.533,1289 1.508,1291 39.304,1295 0.797,1296 5.114,1297 5.661,1299 0.213,1300 2.072,1301 -4.433,1305 33.944,1306 97.139,1307 217.953,1308 262.913,1309 270.913,1310 270.913,1311 270.913,1312 63.236,1313 8.275,1314 97.2,1315 97.2,1316 27,1317 12.984,1318 4.17,1319 3.322,1320 45.463,1321 127,1322 162,1323 0.175,1324 201.378,1325 351.73,1326 483.123,1327 43131,1328 5.8,1329 22.457,1330 0.702,1331 0.533,1332 19.957,1333 17.056,1334 15.303,1335 0.425,1336 0.28,1337 9.819,1338 14.291,1339 9.712,1340 7.897,1341 14.157,1342 10.083,1343 15.194,1344 0.281,1345 0.145,1346 12.837,1347 7.804,1348 11.934,1349 0.168,1350 0.079,1351 11.584,1352 5.606,1353 10.42,1354 0.103,1355 0.041,1356 9.887,1357 4.129,1358 8.504,1359 0.065,1360 0.021,1361 7.938,1362 2.687,1363 0.269,1364 98.902,1365 0.205,1366 29.497,1367 0.494,1368 180,1369 744.696,1370 217.539,1371 626.718,1372 830.62,1373 584,1374 215,1375 598.461,1376 246.405,1377 576.692,1378 869.76,1379 543,1380 5.679}
{0 CHEMBL566216,1 1.595,2 15.081,3 2.925,4 8.556,5 138.577,6 7.57,7 0.524,8 4.315,9 4.437,10 3.902,11 3.818,12 5.399,13 3.817,14 4.874,15 5.043,16 4.291,17 4.232,18 5.944,19 4.212,20 5.137,21 5.351,22 4.318,23 4.356,24 6.14,25 4.305,26 5.14,27 5.381,28 4.253,29 4.316,30 6.169,31 4.249,32 5.055,33 5.277,34 4.245,35 4.271,36 6.112,37 4.221,38 5.026,39 5.236,40 4.257,41 4.291,42 6.066,43 4.25,44 5.051,45 5.249,46 4.229,47 4.34,48 6.053,49 4.268,50 5.141,51 5.387,52 4.058,53 4.317,54 6.164,55 4.184,56 0.097,57 1.048,58 13.463,59 5.625,60 12.28,61 7.4,62 0.429,63 1.698,64 26.298,65 9.533,66 36.001,67 12.951,68 0.576,69 2.045,70 37.286,71 11.882,72 52.012,73 16.955,74 0.575,75 2.036,76 38.169,77 11.869,78 60.314,79 17.445,80 0.474,81 1.86,82 34.603,83 11.163,84 59.404,85 16.054,86 0.575,87 1.902,88 32.609,89 9.905,90 51.559,91 14.19,92 0.483,93 1.932,94 32.408,95 11.385,96 38.876,97 16.116,98 0.716,99 1.911,100 38.7,101 13.995,102 92.827,103 20.035,104 14,105 60,106 0.25,107 0.618,108 0.757,109 0.808,110 0.823,111 0.828,112 3.642,113 0.901,114 -4.85,115 -4.76,116 -4.47,119 40.9,120 1,121 2,125 4,127 2,142 8,143 3,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 9,174 3,175 10,178 2,179 1,180 5,183 8,186 2,187 7,192 6,195 4,198 5,199 11,204 8,207 2,211 1,212 12,217 4,220 4,224 10,227 2,228 1,229 2,232 7,236 3,237 9,245 12,249 2,250 2,253 5,254 1,255 1,258 14,263 3,266 1,271 10,275 2782,276 25.616,277 25.616,278 25.616,279 25.616,280 25.616,281 22.979,282 33.794,283 14.842,284 26.175,285 20.662,286 20.662,287 20.662,288 20.662,289 20.662,290 16.485,291 45.332,292 6.971,293 21.605,294 4.45,295 2.103,296 1.216,297 0.89,298 0.799,299 0.769,300 4.36,305 1,306 1258,307 3.606,310 180.896,311 459.252,312 117.104,314 164.419,318 2.349,319 35.047,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 80.5,331 558,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.817,345 2.882,346 3.792,347 0.86,348 9.109,349 2.741,350 4.062,351 3.148,352 6.11,353 3.768,354 2.799,355 3.647,356 0.8,357 8.944,358 2.66,359 3.985,360 2.815,361 5.65,362 3.673,363 2.697,364 3.318,365 0.765,366 7.734,367 2.633,368 3.823,369 2.788,370 5.597,371 3.469,372 2.504,373 3.163,374 0.247,375 7.698,376 2.414,377 3.653,378 2.72,379 5.407,380 3.377,381 2.442,382 2.87,384 7.143,385 2.272,386 3.554,387 2.435,388 5.159,389 3.194,390 2.222,391 2.761,393 6.422,394 2.153,395 3.269,396 2.345,397 5.009,398 2.839,399 1.879,400 2.489,402 5.638,403 1.82,404 2.977,405 2.093,406 4.879,407 2.837,408 1.845,409 2.151,411 5.443,412 1.794,413 2.947,414 1.961,415 4.642,416 2.705,417 1.755,418 2.057,420 4.992,421 1.66,422 2.879,423 1.535,424 4.409,425 2.43,426 1.474,427 1.879,428 4.236,429 1.404,430 2.625,431 1.326,432 4.28,433 2.171,434 1.237,435 1.668,436 3.585,437 1.152,438 2.5,439 1.153,440 3.664,441 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 2.222,457 1,458 3.414,459 1.831,460 0.888,461 1.145,463 2.222,464 0.835,465 17.3,466 0.468,467 0.841,468 0.023,469 48.5,470 1.311,471 23,472 0.622,473 25.5,474 0.689,475 33.009,476 0.892,477 39.7,478 0.602,479 39.129,480 1.058,481 9.306,482 0.252,483 8.783,484 0.237,485 0.067,487 0.364,493 0.859,494 1.374,495 0.767,496 1.1,497 0.745,498 0.945,499 0.919,500 1.145,501 0.875,502 1.019,503 0.677,504 0.954,505 1.146,506 1.17,507 1.008,508 0.986,509 0.805,510 0.975,511 0.91,512 0.993,513 0.976,514 0.961,515 0.843,516 0.961,517 1.047,518 1.14,519 0.91,520 0.964,521 1.236,522 0.917,523 1.172,524 0.964,525 1.092,526 0.875,527 1.061,528 0.93,529 0.877,530 1.179,531 1.146,532 1.181,533 0.697,534 1.195,535 0.568,536 0.878,537 1.064,538 1.12,539 0.63,540 1.17,541 8,542 0.208,543 3.556,544 2.104,545 1.835,546 1.497,547 0.806,548 0.467,549 0.439,550 0.291,551 24088,552 60649,553 2.18,554 43.9,556 18,558 1,559 3,561 7,564 1.779,565 2.075,566 3.786,567 0.809,573 105.26,574 1.595,575 3.942,576 4.828,577 5.154,578 5.245,579 5.275,580 3.26,581 4.777,582 5.176,583 4.026,584 2681.36,585 9.098,586 44634,591 398.93,592 1.288,593 5.156,594 0.19,595 0.007,596 0.059,597 0.035,598 0.033,599 0.027,600 0.014,601 0.009,602 0.01,603 0.008,604 0.393,605 0.17,606 0.75,607 0.662,608 205.64,609 -0.042,610 -0.157,611 0.06,612 -0.042,613 -0.071,614 0.013,615 0.063,616 -0.011,617 0.032,618 -0.017,619 0.051,620 -0.008,621 -0.122,622 -0.128,623 -0.04,624 -0.014,625 -0.021,626 -0.018,627 -0.028,628 0.049,629 -0.001,630 -0.013,631 0.024,632 -0.001,633 -0.073,634 -0.117,635 0.06,636 0.016,637 -0.07,638 0.054,639 -0.179,640 0.158,641 -0.143,642 0.065,643 -0.13,644 -0.008,645 -0.046,646 -0.084,647 -0.233,648 -0.184,649 -0.075,650 -0.228,651 0.194,652 0.086,653 -0.1,654 -0.106,655 0.178,656 -0.147,657 2.016,658 5.435,659 0.784,660 47.286,661 1.006,662 1.132,663 3.621,664 13.11,665 0.663,666 3.761,667 4.111,668 4.419,669 4.727,670 4.984,671 5.153,672 5.347,673 5.509,674 5.666,675 5.832,676 8.651,677 0.638,678 499.63,679 3.761,680 5.323,681 6.192,682 7.086,683 7.971,684 8.871,685 9.764,686 10.668,687 11.567,688 12.475,689 10.6,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 66,733 23,734 2,735 42,737 71,738 27,739 17,740 4,741 8,746 6,747 8,751 1,752 2,755 4,758 4,761 18,762 9,766 1,771 1,775 1,781 29,782 9,783 3,784 10,790 7,794 0.667,795 3,796 1,801 1,803 1,806 1,811 2,812 4,813 1,815 1,838 1,839 1,840 4,844 1,848 37,853 1,854 6,855 2,856 1,858 2,859 1,870 4.5,871 1,873 1,874 1,877 17.833,878 11.95,879 8.056,880 4.133,881 4.081,882 1.461,883 1.004,884 6.614,885 12.936,886 4.007,887 4.618,888 5.22,889 5.838,890 6.397,891 6.772,892 7.254,893 7.701,894 8.042,895 8.46,896 0.9,897 60,898 13.708,900 5.97,901 7.694,902 26.405,904 22.379,905 2.194,906 81.167,910 306.049,911 130.173,912 91.156,914 78.828,917 130.173,918 384.877,919 91.156,920 8.825,921 47.408,922 118.493,923 99.865,924 30.734,925 6.604,926 294.278,928 306.049,929 221.33,930 78.828,933 225.979,934 107.543,935 53.683,937 68.772,938 99.996,939 50.234,941 306.049,942 169.985,943 130.173,946 306.049,947 36.491,948 98.583,949 36.022,950 129.062,951 306.049,952 169.985,953 130.173,955 0.584,956 0.346,957 0.191,958 0.104,959 31,960 13,961 0.085,962 6,963 3,964 1.172,965 4.831,966 371.663,967 0.207,968 28,969 178.75,974 24.013,975 10.191,976 4.958,977 1.768,978 168.208,979 16.382,980 14.386,984 4.453,985 1.895,986 78.705,987 606.207,988 54,993 12.435,997 -0.349,999 66.414,1000 74.684,1001 0.264,1002 0.652,1003 0.799,1004 0.853,1005 0.868,1006 0.873,1007 5.265,1008 1.879,1009 6.18,1010 6.422,1011 4.796,1012 5.306,1013 2.242,1014 7.002,1015 4.706,1016 6.465,1017 1.845,1018 7.74,1019 5.638,1020 4.369,1021 5.112,1022 1.305,1023 7.881,1024 4.235,1025 7.773,1026 1.755,1027 9.393,1028 5.443,1029 6.405,1030 7.504,1031 2.597,1032 10.986,1033 6.222,1034 9.115,1035 1.474,1036 11.101,1037 4.992,1038 6.792,1039 8.16,1040 2.354,1041 12.7,1042 6.555,1043 10.488,1044 1.237,1045 12.845,1046 4.236,1047 8.278,1048 10.029,1049 3.3,1050 15.327,1051 7.998,1052 11.884,1053 1,1054 14.616,1055 3.585,1056 9.048,1057 11.105,1058 3.414,1059 17.42,1060 8.708,1061 13.298,1062 1,1063 16.406,1064 2.275,1065 10.314,1066 12.761,1067 4.171,1068 19.891,1069 9.931,1070 3.264,1071 0.888,1072 18.213,1073 2.275,1074 11.273,1075 14.057,1076 4.466,1077 22.162,1078 10.829,1079 2.882,1080 11.414,1081 20.034,1082 2.222,1083 12.453,1084 15.625,1085 5.116,1086 24.589,1087 11.963,1088 2.799,1089 9.109,1090 21.868,1091 4.627,1092 13.507,1093 17.035,1094 5.504,1095 26.942,1096 12.957,1097 2.697,1098 8.944,1099 23.711,1100 3.792,1101 14.659,1102 18.57,1103 6.092,1104 29.36,1105 14.058,1106 2.504,1107 7.734,1108 25.564,1109 3.647,1110 15.762,1111 20.038,1112 6.531,1113 31.752,1114 15.102,1115 2.442,1116 7.698,1117 27.425,1118 3.318,1119 16.908,1120 21.562,1121 7.084,1122 34.173,1123 16.195,1124 2.222,1125 7.143,1126 29.293,1127 3.163,1128 18.038,1129 23.06,1130 7.551,1131 36.584,1132 17.267,1133 22015,1134 35088,1135 28.838,1136 43.779,1137 63.367,1138 64.623,1139 64.737,1140 63.051,1141 63.077,1142 80.713,1143 8.656,1144 184.916,1145 60.294,1146 5.675,1147 5.562,1148 6.398,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 14.906,1156 1.509,1157 1.539,1158 1.541,1159 1.501,1160 1.502,1161 1.922,1162 0.206,1163 4.403,1164 1.436,1165 4.133,1166 4.183,1167 4.109,1168 3.979,1169 7.431,1170 4.003,1171 3.941,1172 3.976,1173 3.885,1174 3.855,1175 6.457,1176 3.856,1177 3.899,1178 3.941,1179 3.82,1180 3.797,1181 5.137,1182 3.8,1183 3.867,1184 3.904,1185 3.79,1186 3.716,1187 4.762,1188 3.726,1189 3.501,1190 3.57,1191 3.433,1192 3.284,1193 4.716,1194 3.295,1195 3.431,1196 3.486,1197 3.324,1198 3.191,1199 4.67,1200 3.223,1201 3.212,1202 3.3,1203 3.092,1204 3.015,1205 4.484,1206 3.027,1207 3.201,1208 3.26,1209 3.022,1210 2.978,1211 4.047,1212 2.98,1213 0.111,1214 0.085,1215 0.163,1216 0.1,1217 0.078,1218 4.675,1219 0.11,1220 3.562,1221 0.039,1222 6.845,1223 0.272,1224 4.211,1225 0.074,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.034,1234 2.086,1235 1.255,1236 2.066,1237 1.908,1238 1.881,1239 2.016,1240 2.015,1241 1.224,1242 2.015,1243 1.792,1244 1.754,1245 1.907,1246 1.939,1247 1.139,1248 1.936,1249 1.619,1250 1.557,1251 1.86,1252 1.875,1253 1.11,1254 1.864,1255 1.604,1256 1.543,1257 1.85,1258 1.76,1259 1.042,1260 1.798,1261 1.509,1262 1.444,1263 1.681,1264 1.723,1265 0.835,1266 1.712,1267 1.323,1268 1.278,1269 1.499,1270 1.607,1271 0.601,1272 1.572,1273 1.146,1274 1.09,1275 1.338,1276 1.411,1277 0.496,1278 1.4,1279 4.443,1281 5.784,1282 3.045,1283 7.314,1284 5.416,1285 8.929,1286 7.506,1287 10.593,1289 2.051,1294 9.162,1295 4.499,1296 5.637,1297 6.039,1299 0.495,1300 2.314,1305 42.089,1306 105.26,1307 260.159,1308 318.665,1309 340.175,1310 346.175,1311 348.175,1312 58.276,1313 8.855,1314 117.43,1315 117.43,1316 34,1317 12.993,1318 4.585,1319 3.7,1320 51.275,1321 190,1322 239,1323 0.128,1324 252.751,1325 432.23,1326 608.472,1327 103053,1329 25.355,1330 0.685,1331 0.557,1332 25.355,1333 20.593,1334 18.089,1335 0.431,1336 0.3,1337 12.416,1338 17.308,1339 12.2,1340 10.024,1341 18.089,1342 12.615,1343 16.398,1344 0.273,1345 0.157,1346 16.398,1347 9.442,1348 14.351,1349 0.175,1350 0.084,1351 14.351,1352 6.914,1353 12.401,1354 0.111,1355 0.045,1356 12.401,1357 5.019,1358 10.042,1359 0.069,1360 0.024,1361 10.042,1362 3.45,1363 0.206,1364 113.873,1365 0.186,1366 34.07,1367 0.338,1368 204,1369 576.512,1370 226.959,1371 553.26,1372 771.62,1373 522,1374 244,1375 584.378,1376 268.045,1377 585.599,1378 867.1,1379 554,1380 7.398}
{0 CHEMBL567172,1 1.818,2 13.789,3 3.038,4 9.226,5 130.307,6 8.599,7 0.512,8 4.266,9 4.383,10 3.946,11 3.742,12 5.435,13 3.778,14 4.845,15 5.003,16 4.398,17 4.152,18 6.346,19 4.177,20 5.086,21 5.298,22 4.359,23 4.282,24 6.22,25 4.264,26 5.085,27 5.31,28 4.358,29 4.248,30 6.276,31 4.226,32 5.016,33 5.216,34 4.421,35 4.236,36 6.344,37 4.249,38 5.022,39 5.207,40 4.386,41 4.274,42 6.211,43 4.274,44 5.082,45 5.294,46 4.35,47 4.283,48 6.307,49 4.254,50 5.058,51 5.264,52 4.267,53 4.266,54 6.241,55 4.204,56 0.256,57 1.211,58 9.464,59 5.037,60 27.87,61 5.747,62 1.187,63 2.246,64 21.836,65 8.544,66 159.389,67 10.055,68 1.207,69 2.12,70 32.59,71 10.505,72 98.655,73 13.602,74 1.084,75 2.091,76 33.573,77 10.905,78 92.37,79 14.92,80 1.05,81 2.193,82 29.618,83 10.051,84 102.741,85 12.76,86 0.883,87 2.197,88 27.219,89 10.213,90 83.037,91 12.263,92 1.237,93 2.248,94 31.33,95 10.314,96 82.5,97 13.53,98 0.804,99 2.299,100 30.255,101 13.723,102 81.254,103 17.041,104 19,105 63,106 0.289,107 0.648,108 0.782,109 0.83,110 0.842,111 0.842,112 3.668,113 0.843,114 -4.75,115 -4.66,116 -4.38,119 41,121 2,125 3,127 2,132 1,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 3,175 10,178 2,179 1,180 3,183 4,186 2,187 7,190 1,192 3,195 2,198 5,199 11,204 4,207 3,211 2,212 9,215 1,217 3,220 2,224 13,227 2,229 1,232 6,236 3,237 5,245 8,249 2,250 4,253 4,255 1,258 7,263 3,266 1,271 1,275 3054,276 25.635,277 25.635,278 25.635,279 25.635,280 25.635,281 22.971,282 30.679,283 14.935,284 26.468,285 21.322,286 21.322,287 21.322,288 21.322,289 21.322,290 17.259,291 43.816,292 7.189,293 22.806,294 4.113,295 1.858,296 1.013,297 0.713,298 0.635,299 0.635,300 4.383,305 1,306 1171,307 4.183,310 172.573,311 462.22,312 111.238,314 162.986,318 2.15,319 58.235,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 86.5,331 524,332 4.696,333 4.269,334 7.008,335 4.282,336 3.343,337 4.631,338 3.02,339 12.004,340 3.148,341 4.212,342 3.562,343 6.597,344 4.008,345 3.145,346 3.794,347 1.656,348 10.564,349 2.842,350 4.17,351 3.51,352 6.369,353 3.861,354 2.95,355 3.48,356 0.86,357 9.835,358 2.734,359 4.029,360 3.1,361 6.102,362 3.732,363 2.777,364 3.416,365 0.8,366 8.913,367 2.543,368 3.971,369 2.789,370 5.585,371 3.602,372 2.64,373 3.174,374 0.247,375 7.636,376 2.448,377 3.767,378 2.548,379 5.565,380 3.364,381 2.402,382 3.073,384 7.136,385 2.304,386 3.489,387 2.436,388 5.323,389 3.119,390 2.183,391 2.709,393 6.916,394 2.016,395 3.393,396 2.355,397 5.086,398 2.939,399 1.949,400 2.642,402 5.839,403 1.915,404 2.968,405 2.016,406 4.683,407 2.851,408 1.879,409 2.177,411 5.115,412 1.822,413 2.879,414 1.98,415 4.645,416 2.451,417 1.504,418 1.975,420 4.394,421 1.421,422 2.843,423 1.541,424 4.412,425 2.362,426 1.444,427 1.879,428 4.256,429 1.324,430 2.743,431 1.519,432 4.048,433 2.338,434 1.374,435 1.829,436 3.06,437 1.317,438 2.5,439 1.479,440 3.614,441 2.166,442 1.274,443 1.5,445 2.981,446 1.121,447 2.5,448 1.109,449 3.567,450 2.005,451 1.06,452 1.5,454 2.689,455 1,456 2.471,457 1,458 3.516,459 2,460 1,461 1.463,463 2.275,464 0.999,465 17.224,466 0.453,467 1.093,468 0.029,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 33.699,476 0.887,477 41.576,478 0.682,479 43.709,480 1.15,481 9.827,482 0.259,483 8.511,484 0.224,485 0.069,486 0.029,487 0.337,490 3,493 0.654,494 1.174,495 0.624,496 1.127,497 0.562,498 0.927,499 0.609,500 0.894,501 0.773,502 0.99,503 0.397,504 0.957,505 0.846,506 0.811,507 1.02,508 0.925,509 0.759,510 0.999,511 0.632,512 0.771,513 0.825,514 0.944,515 0.505,516 0.951,517 0.806,518 0.902,519 0.794,520 0.89,521 0.824,522 0.846,523 0.926,524 1.075,525 1.014,526 1.114,527 0.836,528 1.09,529 0.707,530 0.713,531 1.052,532 0.938,533 0.62,534 1.062,535 0.635,536 1.146,537 0.925,538 1.424,539 0.704,540 1.347,541 8.5,542 0.256,543 3.778,544 2.444,545 1.879,546 1.656,547 1.164,548 0.643,549 0.599,550 0.455,551 24021,552 77938,553 2.152,554 37.7,556 14,558 3,559 2,561 4,564 1.789,565 2.027,566 3.65,567 0.253,573 110.882,574 1.818,575 4.073,576 4.918,577 5.217,578 5.295,579 5.295,580 3.046,581 4.544,582 5.213,583 3.919,584 2754.89,585 9.198,586 45679.4,591 361.775,592 1.478,593 5.181,594 0.198,595 0.008,596 0.06,597 0.04,598 0.031,599 0.025,600 0.018,601 0.011,602 0.012,603 0.01,604 0.413,605 0.17,606 0.75,607 0.756,608 210.602,609 -0.053,610 -0.172,611 0.046,612 -0.094,613 -0.062,614 -0.013,615 0.259,616 0.135,617 0.048,618 -0.006,619 0.36,620 -0.05,621 -0.058,622 0.071,623 -0.107,624 0.026,625 -0.068,626 -0.036,627 0.063,628 0.01,629 0.112,630 0.002,631 0.079,632 0.051,633 0.02,635 0.116,636 0.076,637 0.033,638 0.119,639 -0.15,640 -0.137,641 -0.159,642 -0.139,643 -0.1,644 -0.144,645 0.061,646 0.183,647 -0.15,648 0.006,649 0.023,650 -0.107,651 0.112,652 -0.218,654 -0.347,655 0.054,656 -0.266,657 5.702,658 5.3,659 0.763,660 48.881,661 1.032,662 1.15,663 3.521,664 12.394,665 0.666,666 3.784,667 4.159,668 4.431,669 4.779,670 5.043,671 5.22,672 5.442,673 5.642,674 5.814,675 5.986,676 8.194,677 0.664,678 524.56,679 3.784,680 5.361,681 6.225,682 7.135,683 8.019,684 8.936,685 9.834,686 10.755,687 11.662,688 12.586,689 13.1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 61,733 23,734 1,735 43,737 66,738 25,739 16,740 2,741 4,746 6,747 8,751 1,752 1,755 4,757 1,758 4,761 17,762 8,766 1,771 1,775 1,779 3,781 23,782 12,783 2,784 13,790 8,794 0.667,795 2,803 1,805 1,806 1,808 1,811 2,812 4,813 1,815 1,839 1,840 4,846 3,848 38,854 5,855 2,856 1,858 2,859 1,860 1,869 3,870 3.3,873 1,874 1,877 18.75,878 10.879,879 7.986,880 3.596,881 3.977,882 1.447,883 1.02,884 6.482,885 12.868,886 4.025,887 4.637,888 5.206,889 5.849,890 6.414,891 6.807,892 7.327,893 7.803,894 8.161,895 8.585,896 0.889,897 61,898 14.56,900 6.889,901 8.086,902 26.231,904 22.253,905 2.586,906 98.25,910 247.193,911 130.038,912 107.942,914 36.145,915 44.88,917 130.038,918 283.338,919 152.822,921 52.381,922 56.857,923 140.193,924 90.523,925 6.604,926 211.88,927 7.76,928 247.193,929 237.98,930 81.025,933 202.437,934 117.11,935 11,937 90.775,938 77.858,939 67.02,941 292.073,942 144.087,943 130.038,946 254.953,947 38.279,948 88.901,949 36.022,950 148.045,951 247.193,952 188.967,953 130.038,955 0.592,956 0.327,957 0.187,958 0.105,959 33,960 14,961 0.076,962 5,963 3,964 1.172,965 4.792,966 393.932,967 0.207,968 28,969 184.666,974 24.748,975 9.954,976 5.239,977 0.591,978 187.191,979 14.733,980 17.249,984 2.487,985 0.866,986 36.022,987 566.198,988 55,993 12.3,997 -0.44,999 62.96,1000 70.161,1001 0.306,1002 0.687,1003 0.829,1004 0.88,1005 0.893,1006 0.893,1007 5.301,1008 1.949,1009 6.244,1010 6.916,1011 4.844,1012 5.325,1013 3.087,1014 7.102,1015 4.717,1016 6.517,1017 1.879,1018 7.828,1019 5.839,1020 4.575,1021 5.173,1022 3.192,1023 8.181,1024 4.319,1025 7.837,1026 1.504,1027 9.514,1028 5.115,1029 6.515,1030 7.514,1031 4.666,1032 11.243,1033 6.246,1034 9.19,1035 1.444,1036 11.261,1037 4.394,1038 7.04,1039 8.179,1040 5.505,1041 13.125,1042 6.641,1043 10.573,1044 1.374,1045 13.047,1046 4.256,1047 8.485,1048 10.033,1049 6.696,1050 15.755,1051 8.059,1052 11.979,1053 1.274,1054 14.861,1055 3.06,1056 9.362,1057 11.109,1058 7.734,1059 17.962,1060 8.824,1061 13.403,1062 1.06,1063 16.694,1064 2.981,1065 10.623,1066 12.761,1067 8.859,1068 20.46,1069 10.04,1070 3.343,1071 1,1072 18.542,1073 2.689,1074 11.658,1075 14.056,1076 9.948,1077 22.804,1078 10.983,1079 3.145,1080 12.004,1081 20.403,1082 2.275,1083 12.852,1084 15.623,1085 11.057,1086 25.264,1087 12.122,1088 2.95,1089 10.564,1090 22.274,1091 4.631,1092 13.96,1093 17.034,1094 12.158,1095 27.67,1096 13.15,1097 2.777,1098 9.835,1099 24.153,1100 3.794,1101 15.132,1102 18.569,1103 13.264,1104 30.123,1105 14.264,1106 2.64,1107 8.913,1108 26.038,1109 3.48,1110 16.275,1111 20.039,1112 14.368,1113 32.559,1114 15.336,1115 2.402,1116 7.636,1117 27.93,1118 3.416,1119 17.445,1120 21.565,1121 15.474,1122 35.016,1123 16.446,1124 2.183,1125 7.136,1126 29.827,1127 3.174,1128 18.605,1129 23.065,1130 16.579,1131 37.468,1132 17.542,1133 22123,1134 40111,1135 29.126,1136 40.62,1137 66.261,1138 66.331,1139 66.322,1140 65.638,1141 65.412,1142 82.851,1143 13.166,1144 195.665,1145 61.264,1146 5.696,1147 6.269,1148 6.81,1149 5.386,1150 5.343,1151 7.631,1152 4.53,1153 19.65,1154 5.148,1155 17.014,1156 1.541,1157 1.543,1158 1.542,1159 1.526,1160 1.521,1161 1.927,1162 0.306,1163 4.55,1164 1.425,1165 4.141,1166 4.19,1167 4.118,1168 3.983,1169 8.513,1170 4.009,1171 3.914,1172 3.955,1173 3.861,1174 3.809,1175 7.999,1176 3.815,1177 3.893,1178 3.947,1179 3.805,1180 3.744,1181 7.999,1182 3.753,1183 3.844,1184 3.886,1185 3.785,1186 3.71,1187 7.431,1188 3.722,1189 3.543,1190 3.597,1191 3.531,1192 3.263,1193 5.133,1194 3.31,1195 3.414,1196 3.459,1197 3.373,1198 3.138,1199 4.908,1200 3.188,1201 3.166,1202 3.231,1203 3.142,1204 2.951,1205 4.749,1206 2.963,1207 3.143,1208 3.206,1209 2.957,1210 2.926,1211 4.646,1212 2.926,1213 0.109,1214 0.099,1215 0.163,1216 0.1,1217 0.078,1218 4.696,1219 0.108,1220 4.269,1221 0.07,1222 7.008,1223 0.279,1224 4.282,1225 0.073,1226 3.343,1227 4.631,1228 3.02,1229 12.004,1230 3.148,1231 1.95,1232 1.92,1233 2.026,1234 2.083,1235 1.255,1236 2.061,1237 1.824,1238 1.784,1239 1.934,1240 1.988,1241 1.223,1242 1.971,1243 1.784,1244 1.748,1245 1.889,1246 1.927,1247 1.108,1248 1.923,1249 1.604,1250 1.551,1251 1.86,1252 1.877,1253 0.973,1254 1.837,1255 1.603,1256 1.543,1257 1.752,1258 1.76,1259 0.944,1260 1.798,1261 1.482,1262 1.422,1263 1.629,1264 1.73,1265 0.782,1266 1.701,1267 1.266,1268 1.221,1269 1.392,1270 1.56,1271 0.496,1272 1.515,1273 1.06,1274 1.003,1275 1.215,1276 1.401,1277 0.364,1278 1.318,1279 4.466,1281 5.826,1282 3.045,1283 7.366,1284 5.476,1285 8.991,1286 7.609,1287 10.665,1291 39.815,1295 1.662,1296 5.415,1297 5.691,1299 0.186,1300 2.148,1301 -4.452,1305 40.492,1306 110.882,1307 248.452,1308 300.001,1309 318.265,1310 323.02,1311 323.02,1312 74.42,1313 8.891,1314 110.09,1315 110.09,1316 34,1317 13.096,1318 4.585,1319 3.7,1320 53.062,1321 181,1322 226,1323 0.138,1324 239.959,1325 418.05,1326 577.259,1327 102280,1328 4.9,1329 26.277,1330 0.692,1331 0.527,1332 23.777,1333 20.02,1334 18.337,1335 0.426,1336 0.281,1337 11.813,1338 17.267,1339 11.715,1340 9.541,1341 17.191,1342 12.088,1343 17.792,1344 0.282,1345 0.147,1346 15.436,1347 9.253,1348 13.996,1349 0.169,1350 0.08,1351 13.646,1352 6.61,1353 12.686,1354 0.108,1355 0.042,1356 12.153,1357 4.959,1358 10.462,1359 0.068,1360 0.022,1361 9.896,1362 3.379,1363 0.218,1364 117.514,1365 0.185,1366 34.44,1367 0.375,1368 212,1369 828.341,1370 251.261,1371 711.488,1372 949.53,1373 664,1374 252,1375 687.861,1376 285.432,1377 668.947,1378 1002.6,1379 630,1380 6.644}
{0 CHEMBL567293,1 1.634,2 11.071,3 3.274,4 10.718,5 102.961,6 7.825,7 0.548,8 4.028,9 4.12,10 3.636,11 3.474,12 5.182,13 3.502,14 4.558,15 4.71,16 3.975,17 3.823,18 5.659,19 3.849,20 4.696,21 4.852,22 4.051,23 3.942,24 5.859,25 3.941,26 4.75,27 4.923,28 3.999,29 3.964,30 5.863,31 3.943,32 4.803,33 5.003,34 3.945,35 3.964,36 5.893,37 3.913,38 4.685,39 4.868,40 3.837,41 3.871,42 5.735,43 3.821,44 4.649,45 4.848,46 3.654,47 3.783,48 5.646,49 3.717,50 4.587,51 4.827,52 3.534,53 3.683,54 5.525,55 3.576,56 0.125,57 0.696,58 9.552,59 4.423,60 10.248,61 5.216,62 0.525,63 1.082,64 19.829,65 6.859,66 29.438,67 8.183,68 0.719,69 1.227,70 22.757,71 7.913,72 45.604,73 10.01,74 0.586,75 1.299,76 24.077,77 8.287,78 41.998,79 10.679,80 0.902,81 1.289,82 27.431,83 9.112,84 61.936,85 12.12,86 0.534,87 1.149,88 23.293,89 8.662,90 38.122,91 11.155,92 0.598,93 1.066,94 23.787,95 8.116,96 42.014,97 10.328,98 0.572,99 1.002,100 23.187,101 8.013,102 39.096,103 11.309,104 14,105 43,106 0.276,107 0.614,108 0.752,109 0.785,110 0.792,111 0.792,112 3.375,113 0.862,114 -2.22,115 -2.26,116 -2.23,119 40.8,124 2,125 4,142 5,143 1,144 3,145 1,146 1,150 1,152 2,172 3,174 3,175 7,183 2,186 2,187 6,190 2,192 2,195 4,198 1,199 4,204 1,207 3,211 6,212 5,220 1,224 6,227 1,229 1,232 2,237 3,242 1,249 3,250 7,263 1,266 1,268 1,275 1166,276 19.394,277 19.394,278 19.394,279 19.394,280 19.394,281 17.451,282 18.45,283 11.386,284 20.155,285 15.18,286 15.18,287 15.18,288 15.18,289 15.18,290 12.095,291 23.383,292 5.229,293 16.218,294 3.98,295 1.983,296 1.166,297 0.97,298 0.929,299 0.929,300 4.072,303 1,304 1,305 1,306 670,307 2.55,310 75.113,311 277.596,318 1.791,319 29.993,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 310,332 4.477,333 3.326,334 6.486,335 4.081,336 3.108,337 4.195,338 0.86,339 10.115,340 3.035,341 4.312,342 3.15,343 6.295,344 3.914,345 2.968,346 3.96,347 0.86,348 9.564,349 2.819,350 4.053,351 2.917,352 6.112,353 3.708,354 2.771,355 3.565,356 0.86,357 8.924,358 2.577,359 3.74,360 2.566,361 5.901,362 3.445,363 2.477,364 3.044,365 0.8,366 8.183,367 2.382,368 3.355,369 2.555,370 5.19,371 2.972,372 2.061,373 2.604,375 6.118,376 1.867,377 3.238,378 2.291,379 4.708,380 2.86,381 1.925,382 2.474,384 5.126,385 1.802,386 2.918,387 1.828,388 4.405,389 2.553,390 1.612,391 2.024,393 4.25,394 1.506,395 2.68,396 1.659,397 4.01,398 2.242,399 1.307,400 1.74,402 3.15,403 1.217,404 2.42,405 1.453,406 3.525,407 1.952,408 1,409 1.384,411 2.569,412 0.946,413 2.193,414 1.256,415 3.429,416 1.912,417 1,418 1.158,420 2.375,421 0.909,422 2.159,423 1.147,424 3.404,425 1.895,426 0.972,427 1,428 2.136,429 0.889,430 2,431 0.955,432 3.263,433 1.691,434 0.828,435 1,436 1.692,437 0.705,438 1.929,439 0.916,440 3.247,441 1.645,442 0.663,443 0.887,445 1.544,446 0.653,447 1.576,448 0.672,449 2.859,450 1.27,451 0.396,452 0.452,454 0.603,455 0.342,456 1.078,457 0.406,458 2.582,459 0.758,460 -0.135,461 -0.155,463 -0.231,464 -0.118,465 12.867,466 0.46,467 0.568,468 0.02,469 37.5,470 1.339,471 18,472 0.643,473 19.5,474 0.696,475 21.128,476 0.755,477 30.933,478 0.631,479 28.782,480 1.028,481 7.776,482 0.278,483 5.914,484 0.211,485 0.104,487 0.342,493 0.941,494 1.488,495 0.732,496 1.257,497 0.916,498 0.998,499 1.31,500 0.878,501 0.88,502 0.805,503 0.922,504 0.744,505 1,506 1.08,507 0.927,508 0.964,509 0.803,510 0.929,511 1.061,512 1.185,513 1.055,514 1.104,515 1.149,516 1.067,517 0.861,518 0.828,519 0.997,520 0.891,521 1.211,522 0.958,523 0.958,524 1.185,525 1.012,526 1.194,527 0.711,528 1.137,529 1.26,530 0.968,531 1.172,532 1.006,533 1.138,534 1.064,535 0.608,536 1.008,537 0.876,538 1.029,539 0.622,540 1.033,541 5,542 0.149,543 3.333,544 1.563,545 1.518,546 1.094,547 0.399,548 0.364,549 0.259,550 0.14,551 10004,552 29009,553 2.115,554 42.9,556 19,558 1,559 1,564 1.71,565 2,566 3.459,567 -0.288,568 1,569 1,573 80.079,574 1.634,575 3.632,576 4.449,577 4.645,578 4.686,579 4.686,580 2.91,581 4.182,582 4.78,583 3.623,584 1369.45,585 8.307,586 18100,588 1,590 1,591 275.121,592 1.333,593 4.748,594 0.161,595 0.007,596 0.078,597 0.035,598 0.036,599 0.028,600 0.011,601 0.013,602 0.01,603 0.006,604 0.385,605 0.33,606 1,607 0.789,608 140.805,609 -0.084,610 -0.313,611 0.067,612 -0.172,613 -0.091,614 -0.044,615 -0.181,616 0.21,617 0.058,618 0.174,619 -0.065,620 0.173,621 0.045,622 -0.006,623 0.001,624 0.026,625 0.162,626 0.007,627 -0.111,628 -0.11,629 -0.131,630 -0.123,631 -0.129,632 -0.122,633 0.112,634 0.181,635 -0.027,636 0.084,637 -0.064,638 0.012,639 -0.03,640 -0.202,641 -0.071,642 -0.171,643 0.054,644 -0.14,645 -0.226,646 -0.018,647 -0.19,648 -0.01,649 -0.219,650 -0.078,651 0.165,652 -0.091,653 0.112,654 -0.027,655 0.117,656 0.011,657 1.716,658 4.087,659 0.821,660 26.163,661 1.018,662 1.128,663 0.99,664 0.98,665 0.656,666 3.466,667 3.784,668 4.094,669 4.344,670 4.564,671 4.644,672 4.771,673 4.875,674 4.984,675 5.05,676 6.683,677 0.64,678 383.44,679 3.466,680 5.004,681 5.866,682 6.744,683 7.622,684 8.505,685 9.388,686 10.273,687 11.158,688 12.045,689 6.1,695 1,699 2,704 6,705 2,707 1,709 8,711 17,726 1,728 1,729 2,731 49,733 17,734 1,735 31,737 52,738 20,739 14,740 4,741 2,746 4,747 4,761 14,762 6,777 1,778 1,780 1,781 21,782 8,783 1,784 8,790 3,794 1,795 5,806 1,811 1,812 3,839 1,840 4,844 2,848 28,853 1,854 4,856 3,859 1,870 10.2,872 1,874 1,875 3,877 14,878 9.467,879 6.306,880 2.739,881 3.273,882 1.425,883 0.952,884 5.593,885 10.972,886 3.701,887 4.294,888 4.908,889 5.486,890 5.996,891 6.348,892 6.766,893 7.154,894 7.546,895 7.891,896 1,897 45,898 10.316,900 4.342,901 7.762,902 19.528,904 15.621,905 2.262,906 63.333,909 1,910 235.422,911 120.817,912 36.695,914 85.19,917 120.817,918 320.612,919 36.695,920 21.766,921 13.396,922 47.381,923 99.025,924 60.108,925 12.797,926 223.651,928 235.422,929 157.512,930 85.19,933 235.422,934 74.19,935 11,937 27.099,938 96.842,939 33.571,941 235.422,942 121.886,943 120.817,946 235.422,947 42.622,948 81.319,950 118.761,951 235.422,952 121.886,953 120.817,955 0.574,956 0.354,957 0.194,958 0.103,959 21,960 9,961 0.096,962 5,964 1,965 3.975,966 245.509,968 23,969 122.606,974 18.9,975 8.286,976 3.914,978 121.886,979 10.62,980 8.997,982 6.011,984 3.878,986 42.683,987 478.125,988 39.5,999 49.894,1000 55.279,1001 0.291,1002 0.647,1003 0.792,1004 0.827,1005 0.835,1006 0.835,1007 4.936,1008 1.307,1009 5.844,1010 4.25,1011 4.466,1012 4.98,1013 1.856,1014 6.661,1015 4.352,1016 6.13,1017 1,1018 7.407,1019 3.15,1020 4.007,1021 4.745,1022 0.325,1023 7.561,1024 3.862,1025 7.435,1026 1,1027 9.07,1028 2.569,1029 6.066,1030 7.167,1031 1.557,1032 10.657,1033 5.868,1034 8.779,1035 0.972,1036 10.791,1037 2.375,1038 6.463,1039 7.786,1040 0.268,1041 12.356,1042 6.234,1043 10.157,1044 0.828,1045 12.549,1046 2.136,1047 7.95,1048 9.644,1049 1.308,1050 14.944,1051 7.681,1052 11.557,1053 0.663,1054 14.33,1055 1.692,1056 8.726,1057 10.651,1058 0.188,1059 16.961,1060 8.425,1061 12.973,1062 0.396,1063 16.127,1064 1.544,1065 9.985,1066 12.273,1067 1.087,1068 19.365,1069 9.651,1070 3.108,1071 -0.135,1072 17.934,1073 0.603,1074 10.937,1075 13.474,1076 0.125,1077 21.521,1078 10.572,1079 2.968,1080 10.115,1081 19.75,1082 -0.231,1083 12.103,1084 14.986,1085 0.89,1086 23.853,1087 11.708,1088 2.771,1089 9.564,1090 21.571,1091 4.195,1092 13.137,1093 16.286,1094 0.082,1095 26.074,1096 12.713,1097 2.477,1098 8.924,1099 23.397,1100 3.96,1101 14.265,1102 17.747,1103 0.718,1104 28.376,1105 13.814,1106 2.061,1107 8.183,1108 25.227,1109 3.565,1110 15.338,1111 19.099,1112 0.054,1113 30.63,1114 14.859,1115 1.925,1116 6.118,1117 27.059,1118 3.044,1119 16.453,1120 20.535,1121 0.571,1122 32.922,1123 15.949,1124 1.612,1125 5.126,1126 28.894,1127 2.604,1128 17.545,1129 21.916,1130 0.035,1131 35.193,1132 17.015,1133 9528,1134 16358,1135 20.978,1136 32.142,1137 46.423,1138 47.206,1139 47.99,1140 46.176,1141 46.177,1142 58.976,1143 6.76,1144 132.694,1145 43.299,1146 5.477,1147 5.326,1148 6.288,1149 5.184,1150 5.108,1151 7.195,1152 1.72,1153 17.036,1154 5.035,1155 12.131,1156 1.498,1157 1.523,1158 1.548,1159 1.49,1160 1.49,1161 1.902,1162 0.218,1163 4.28,1164 1.397,1165 4.049,1166 4.062,1167 4.019,1168 3.932,1169 6.469,1170 3.95,1171 3.882,1172 3.918,1173 3.842,1174 3.736,1175 5.127,1176 3.758,1177 3.753,1178 3.78,1179 3.678,1180 3.559,1181 4.9,1182 3.581,1183 3.575,1184 3.612,1185 3.489,1186 3.397,1187 4.772,1188 3.412,1189 3.303,1190 3.355,1191 3.144,1192 3.006,1193 4.594,1194 3.026,1195 3.166,1196 3.246,1197 2.976,1198 2.941,1199 4.58,1200 2.918,1201 3.111,1202 3.206,1203 2.866,1204 2.916,1205 4.127,1206 2.91,1207 2.927,1208 2.983,1209 2.814,1210 2.703,1211 3.911,1212 2.715,1213 0.144,1214 0.107,1215 0.209,1216 0.132,1217 0.1,1218 4.477,1219 0.135,1220 3.326,1221 0.028,1222 6.486,1223 0.326,1224 4.081,1225 0.098,1226 3.108,1227 4.195,1228 0.86,1229 10.115,1230 3.035,1231 1.888,1232 1.882,1233 1.955,1234 2.03,1235 1.198,1236 2.005,1237 1.818,1238 1.773,1239 1.945,1240 1.997,1241 1.089,1242 1.98,1243 1.634,1244 1.586,1245 1.807,1246 1.841,1247 0.869,1248 1.832,1249 1.404,1250 1.375,1251 1.59,1252 1.567,1253 0.825,1254 1.571,1255 1.227,1256 1.18,1257 1.59,1258 1.558,1259 0.62,1260 1.565,1261 1.203,1262 1.163,1263 1.513,1264 1.464,1265 0.584,1266 1.467,1267 1.153,1268 1.064,1269 1.506,1270 1.376,1271 0.544,1272 1.429,1273 1.066,1274 0.998,1275 1.204,1276 1.356,1277 0.272,1278 1.321,1279 4.143,1281 5.46,1282 2.398,1283 6.982,1284 4.595,1285 8.592,1286 6.605,1287 10.246,1289 2.972,1294 10.087,1295 2.867,1297 15.812,1300 2.09,1305 31.379,1306 80.079,1307 177.944,1308 218.001,1309 227.611,1310 229.611,1311 229.611,1312 42.706,1313 7.698,1314 90.08,1315 90.08,1316 23,1317 12.576,1318 4.17,1319 3.248,1320 42.492,1321 114,1322 106,1323 0.185,1324 189.989,1325 328.25,1326 455.332,1327 23853,1329 19.51,1330 0.697,1331 0.561,1332 19.51,1333 15.714,1334 13.69,1335 0.442,1336 0.287,1337 8.681,1338 12.833,1339 8.486,1340 6.999,1341 13.69,1342 8.906,1343 11.845,1344 0.275,1345 0.145,1346 11.845,1347 6.235,1348 10.666,1349 0.181,1350 0.077,1351 10.666,1352 4.56,1353 8.788,1354 0.116,1355 0.04,1356 8.788,1357 3.068,1358 6.96,1359 0.073,1360 0.021,1361 6.96,1362 2.006,1363 0.291,1364 88.203,1365 0.218,1366 26.733,1367 0.504,1368 148,1369 510.027,1370 169.302,1371 469.336,1372 643.14,1373 444,1374 176,1375 472.129,1376 198.995,1377 471.547,1378 694.38,1379 441,1380 5}
{0 CHEMBL567304,1 1.629,2 11.324,3 3.663,4 13.417,5 126.777,6 7.557,7 0.447,8 4.261,9 4.36,10 3.844,11 3.681,12 5.351,13 3.707,14 4.831,15 4.996,16 4.192,17 4.053,18 5.871,19 4.072,20 4.996,21 5.174,22 4.27,23 4.205,24 6.07,25 4.188,26 5.039,27 5.232,28 4.245,29 4.247,30 6.078,31 4.207,32 5.103,33 5.317,34 4.271,35 4.26,36 6.137,37 4.212,38 5.03,39 5.21,40 4.264,41 4.234,42 6.046,43 4.211,44 5.108,45 5.292,46 4.191,47 4.293,48 6.079,49 4.235,50 5.22,51 5.462,52 4.086,53 4.312,54 6.062,55 4.183,56 0.135,57 0.895,58 13.035,59 5.548,60 10.05,61 6.973,62 0.692,63 1.407,64 27.433,65 8.659,66 35.494,67 11.093,68 0.946,69 1.645,70 32.606,71 10.311,72 55.265,73 14.077,74 0.695,75 1.753,76 33.486,77 11.22,78 47.858,79 15.562,80 1.089,81 1.776,82 37.679,83 11.731,84 70.682,85 16.82,86 0.708,87 1.721,88 33.046,89 10.698,90 43.03,91 14.652,92 0.93,93 1.776,94 36.636,95 12.199,96 53.51,97 16.16,98 0.931,99 1.849,100 43.53,101 15.381,102 60.495,103 21.922,104 14,105 53,106 0.262,107 0.558,108 0.69,109 0.725,110 0.762,111 0.787,112 3.561,113 0.889,114 -2.43,115 -2.46,116 -2.41,119 38.7,124 2,125 8,142 5,143 1,144 3,146 1,147 1,150 1,152 2,172 3,174 4,175 8,183 2,186 3,187 6,190 2,192 2,195 4,198 3,199 4,204 1,207 3,211 8,212 7,220 1,224 7,227 1,229 1,232 2,236 3,237 4,242 1,249 4,250 10,263 2,266 1,268 1,275 2122,276 23.618,277 23.618,278 23.618,279 23.618,280 23.618,281 21.726,282 28.905,283 13.939,284 24.639,285 18.668,286 18.668,287 18.668,288 18.668,289 18.668,290 15.548,291 40.745,292 6.492,293 20.112,294 4.325,295 2.485,296 1.663,297 1.444,298 1.218,299 1.057,300 4.269,304 1,305 1,306 841,307 2.739,310 91.792,311 449.821,318 1.716,319 37.081,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 76,331 385,332 4.486,333 3.327,334 6.489,335 4.092,336 3.123,337 4.204,338 0.86,339 10.15,340 3.042,341 4.376,342 3.247,343 6.389,344 3.983,345 3.043,346 4.03,347 0.86,348 9.903,349 2.865,350 4.115,351 3.013,352 6.147,353 3.75,354 2.795,355 3.664,356 0.86,357 9.037,358 2.647,359 3.795,360 2.908,361 6.016,362 3.596,363 2.684,364 3.057,365 0.86,366 8.629,367 2.445,368 3.73,369 2.558,370 5.894,371 3.424,372 2.456,373 2.972,374 0.8,375 8.162,376 2.367,377 3.355,378 2.555,379 5.19,380 2.972,381 2.061,382 2.604,383 0.8,384 6.118,385 1.867,386 3.182,387 2.315,388 4.753,389 2.872,390 1.945,391 2.383,393 5.244,394 1.801,395 2.931,396 2.25,397 4.463,398 2.587,399 1.697,400 2.016,402 4.367,403 1.506,404 2.838,405 1.789,406 4.283,407 2.539,408 1.584,409 1.879,411 4.065,412 1.501,413 2.46,414 1.657,415 4.011,416 2.08,417 1.187,418 1.444,420 3.016,421 1.054,422 2.23,423 1.468,424 3.508,425 1.952,426 1,427 1.202,428 2.612,429 0.946,430 2.166,431 1.288,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2.159,439 1.256,440 3.411,441 1.902,442 1,443 1,445 2.136,446 0.897,447 2,448 1.256,449 3.264,450 1.883,451 0.974,452 1,454 2.136,455 0.878,456 2,457 0.981,458 3.247,459 1.692,460 0.83,461 1,463 1.698,464 0.707,465 15.6,466 0.459,467 0.687,468 0.02,469 42.75,470 1.257,471 18.5,472 0.544,473 24.25,474 0.713,475 30.548,476 0.898,477 38.4,478 0.619,479 35.526,480 1.045,481 8.758,482 0.258,483 7.899,484 0.232,485 0.085,487 0.34,493 0.938,494 1.61,495 0.755,496 1.337,497 0.892,498 1.055,499 1.357,500 0.923,501 0.929,502 0.819,503 0.949,504 0.774,505 1.02,506 1.057,507 0.963,508 0.92,509 0.825,510 0.919,511 0.888,512 1.191,513 0.991,514 1.119,515 1.052,516 1.074,517 0.749,518 0.93,519 0.883,520 0.881,521 1.072,522 0.9,523 1.07,524 1.244,525 1.044,526 1.121,527 0.78,528 1.067,529 1.198,530 1.009,531 1.252,532 1.082,533 1.065,534 1.158,535 0.595,536 1.085,537 0.932,538 1.166,539 0.547,540 1.148,541 6,542 0.231,543 3.778,544 1.688,545 1.9,546 1.597,547 0.544,548 0.456,549 0.37,550 0.203,551 16507,552 45484,553 2.145,554 45.2,556 27,559 1,564 1.765,565 2.04,566 3.488,567 -0.304,569 1,573 101.005,574 1.629,575 3.469,576 4.291,577 4.51,578 4.736,579 4.898,580 2.855,581 3.822,582 5.06,583 3.687,584 2068.49,585 8.9,586 31379.7,591 369.16,592 1.286,593 5.033,594 0.158,595 0.007,596 0.071,597 0.03,598 0.035,599 0.029,600 0.01,601 0.009,602 0.009,603 0.005,604 0.363,605 0.33,606 0.75,607 0.699,608 180.722,609 -0.073,610 -0.374,611 0.081,612 -0.203,613 -0.059,614 -0.054,615 -0.192,616 0.187,617 0.037,618 0.166,619 -0.057,620 0.156,621 0.006,622 0.039,623 -0.012,624 0.075,625 0.124,626 0.035,627 -0.044,628 -0.086,629 -0.067,630 -0.11,631 -0.084,632 -0.094,633 0.147,634 0.121,635 0.078,636 0.097,637 0.006,638 0.076,639 -0.123,640 -0.134,641 -0.11,642 -0.118,643 -0.019,644 -0.105,645 -0.188,646 0.061,647 -0.306,648 -0.073,649 -0.205,650 -0.192,651 0.143,652 -0.158,653 0.023,654 -0.131,655 0.119,656 -0.096,657 1.721,658 4.227,659 0.853,660 35.564,661 1.016,662 1.133,663 1.2,664 1.439,665 0.643,666 3.664,667 3.989,668 4.304,669 4.575,670 4.836,671 4.956,672 5.142,673 5.298,674 5.451,675 5.557,676 7.177,677 0.624,678 468.56,679 3.664,680 5.209,681 6.075,682 6.957,683 7.84,684 8.729,685 9.619,686 10.511,687 11.404,688 12.299,689 6.5,695 2,699 2,704 5,705 2,707 1,709 9,711 17,726 2,728 1,729 2,731 62,733 17,734 1,735 38,737 66,738 24,739 14,740 4,741 2,746 5,747 5,761 14,762 10,778 1,780 1,781 28,782 10,783 1,784 10,790 4,794 1,795 6,806 1,811 1,812 4,839 2,840 5,844 2,848 34,853 1,854 8,856 4,859 2,870 9.7,872 1,874 2,875 3,877 16.667,878 11.75,879 7.583,880 3.611,881 3.252,882 1.395,883 0.959,884 7.104,885 11.475,886 3.861,887 4.434,888 5.036,889 5.619,890 6.15,891 6.542,892 6.983,893 7.388,894 7.787,895 8.154,896 1,897 56,898 12.586,900 5.338,901 7.691,902 24.103,904 19.616,905 2.191,906 74.5,910 317.82,911 127.494,912 39.82,914 96.19,917 127.494,918 414.01,919 39.82,920 21.766,921 26.792,922 47.381,923 98.254,924 54.185,925 15.125,926 317.82,928 317.82,929 167.313,930 96.19,933 317.82,934 74.19,935 22,937 31.448,938 102.294,939 33.571,941 317.82,942 136.01,943 127.494,946 317.82,947 58.346,948 75.396,950 129.761,951 317.82,952 136.01,953 127.494,955 0.575,956 0.351,957 0.193,958 0.107,959 26,960 11,961 0.091,962 6,964 1,965 4.427,966 332.177,968 29,969 156.974,974 23.233,975 10.395,976 4.983,978 136.01,979 9.12,980 9.682,982 6.21,984 4.696,986 42.683,987 581.323,988 46.5,999 62.974,1000 70.232,1001 0.274,1002 0.583,1003 0.721,1004 0.758,1005 0.795,1006 0.823,1007 5.113,1008 1.697,1009 6.052,1010 5.244,1011 4.673,1012 5.121,1013 2.179,1014 6.872,1015 4.543,1016 6.294,1017 1.584,1018 7.614,1019 4.367,1020 4.205,1021 4.902,1022 0.57,1023 7.763,1024 4.039,1025 7.596,1026 1.187,1027 9.276,1028 4.065,1029 6.275,1030 7.28,1031 1.84,1032 10.872,1033 6.047,1034 8.936,1035 1,1036 10.997,1037 3.016,1038 6.661,1039 7.92,1040 0.479,1041 12.565,1042 6.4,1043 10.311,1044 1,1045 12.754,1046 2.612,1047 8.158,1048 9.75,1049 1.564,1050 15.163,1051 7.846,1052 11.709,1053 1,1054 14.534,1055 2.509,1056 8.927,1057 10.775,1058 0.346,1059 17.178,1060 8.582,1061 13.124,1062 0.974,1063 16.33,1064 2.136,1065 10.194,1066 12.38,1067 1.317,1068 19.589,1069 9.806,1070 3.123,1071 0.83,1072 18.138,1073 2.136,1074 11.143,1075 13.594,1076 0.237,1077 21.747,1078 10.721,1079 3.043,1080 10.15,1081 19.953,1082 1.698,1083 12.314,1084 15.098,1085 1.094,1086 24.083,1087 11.854,1088 2.795,1089 9.903,1090 21.774,1091 4.204,1092 13.348,1093 16.407,1094 0.158,1095 26.308,1096 12.855,1097 2.684,1098 9.037,1099 23.6,1100 4.03,1101 14.481,1102 17.864,1103 0.895,1104 28.615,1105 13.953,1106 2.456,1107 8.629,1108 25.429,1109 3.664,1110 15.557,1111 19.224,1112 0.104,1113 30.874,1114 14.997,1115 2.061,1116 8.162,1117 27.262,1118 3.057,1119 16.676,1120 20.659,1121 0.721,1122 33.171,1123 16.084,1124 1.945,1125 6.118,1126 29.097,1127 2.972,1128 17.772,1129 22.046,1130 0.068,1131 35.447,1132 17.149,1133 15495,1134 25874,1135 25.948,1136 39.887,1137 57.05,1138 58.12,1139 58.441,1140 56.888,1141 56.88,1142 69.856,1143 10.08,1144 163.856,1145 52.93,1146 5.486,1147 5.327,1148 6.29,1149 5.196,1150 5.123,1151 7.204,1152 1.72,1153 17.07,1154 5.042,1155 13.877,1156 1.501,1157 1.529,1158 1.538,1159 1.497,1160 1.497,1161 1.838,1162 0.265,1163 4.312,1164 1.393,1165 4.061,1166 4.08,1167 4.03,1168 3.937,1169 6.469,1170 3.956,1171 3.909,1172 3.941,1173 3.869,1174 3.759,1175 5.124,1176 3.782,1177 3.754,1178 3.803,1179 3.692,1180 3.577,1181 4.891,1182 3.6,1183 3.745,1184 3.771,1185 3.626,1186 3.518,1187 4.774,1188 3.535,1189 3.526,1190 3.565,1191 3.438,1192 3.337,1193 4.614,1194 3.353,1195 3.303,1196 3.355,1197 3.144,1198 3.006,1199 4.58,1200 3.026,1201 3.167,1202 3.246,1203 2.978,1204 2.941,1205 4.58,1206 2.919,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.127,1212 2.91,1213 0.118,1214 0.088,1215 0.171,1216 0.108,1217 0.082,1218 4.486,1219 0.111,1220 3.327,1221 0.023,1222 6.489,1223 0.267,1224 4.092,1225 0.08,1226 3.123,1227 4.204,1228 0.86,1229 10.15,1230 3.042,1231 1.888,1232 1.882,1233 1.97,1234 2.062,1235 1.218,1236 2.035,1237 1.85,1238 1.804,1239 1.955,1240 1.998,1241 1.188,1242 1.981,1243 1.68,1244 1.621,1245 1.904,1246 1.933,1247 1.089,1248 1.926,1249 1.59,1250 1.548,1251 1.749,1252 1.792,1253 0.856,1254 1.779,1255 1.393,1256 1.366,1257 1.59,1258 1.566,1259 0.825,1260 1.568,1261 1.227,1262 1.164,1263 1.582,1264 1.558,1265 0.825,1266 1.565,1267 1.192,1268 1.163,1269 1.513,1270 1.453,1271 0.617,1272 1.457,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.584,1278 1.429,1279 4.344,1281 5.666,1282 2.398,1283 7.194,1284 4.595,1285 8.808,1286 6.605,1287 10.468,1289 2.986,1294 10.227,1295 5.658,1297 21.579,1300 4.342,1305 38.696,1306 101.005,1307 215.079,1308 266.041,1309 279.65,1310 293.65,1311 303.65,1312 53.954,1313 8.223,1314 102.55,1315 102.55,1316 29,1317 12.825,1318 4.17,1319 3.248,1320 49.762,1321 145,1322 130,1323 0.164,1324 231.755,1325 404.88,1326 557.243,1327 42854,1329 23.493,1330 0.691,1331 0.568,1332 23.493,1333 19.321,1334 16.657,1335 0.438,1336 0.296,1337 10.968,1338 15.564,1339 10.756,1340 8.802,1341 16.657,1342 11.261,1343 14.544,1344 0.274,1345 0.151,1346 14.544,1347 8.003,1348 13.043,1349 0.179,1350 0.082,1351 13.043,1352 5.953,1353 10.88,1354 0.113,1355 0.042,1356 10.88,1357 4.074,1358 8.911,1359 0.071,1360 0.022,1361 8.911,1362 2.744,1363 0.256,1364 107.53,1365 0.196,1366 31.133,1367 0.458,1368 182,1369 609.408,1370 208.984,1371 556.132,1372 763.55,1373 528,1374 217,1375 558.934,1376 246.094,1377 555.843,1378 823.63,1379 521,1380 5}
{0 CHEMBL567607,1 1.609,2 14.564,3 2.174,4 4.728,5 145.615,6 7.156,7 0.372,8 4.422,9 4.554,10 3.956,11 3.854,12 5.462,13 3.852,14 5.012,15 5.209,16 4.326,17 4.253,18 6.052,19 4.227,20 5.262,21 5.496,22 4.407,23 4.417,24 6.209,25 4.371,26 5.324,27 5.552,28 4.428,29 4.457,30 6.37,31 4.407,32 5.308,33 5.53,34 4.394,35 4.489,36 6.327,37 4.427,38 5.305,39 5.531,40 4.407,41 4.522,42 6.237,43 4.439,44 5.352,45 5.603,46 4.358,47 4.509,48 6.269,49 4.416,50 5.307,51 5.544,52 4.318,53 4.506,54 6.249,55 4.39,56 0.089,57 1.158,58 16.752,59 6.153,60 9.921,61 8.957,62 0.752,63 1.808,64 33.719,65 9.952,66 53.908,67 15.247,68 0.701,69 2.167,70 44.602,71 12.064,72 55.497,73 19.403,74 0.91,75 2.254,76 47.906,77 13.063,78 88.022,79 20.122,80 0.847,81 2.27,82 46.626,83 13.261,84 94.675,85 20.428,86 0.638,87 2.364,88 45.155,89 14.216,90 54.164,91 22.131,92 0.858,93 2.34,94 48.821,95 14.055,96 68.782,97 22.639,98 0.675,99 2.223,100 45.637,101 16.469,102 72.222,103 24.169,104 39,105 60,106 0.248,107 0.571,108 0.768,109 0.854,110 0.854,111 0.854,112 3.693,113 0.952,114 -4.1,115 -4.05,116 -3.83,119 36,120 3,121 2,125 7,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 13,178 2,179 1,180 3,183 5,186 2,187 7,192 2,195 2,198 6,199 18,204 4,207 4,211 2,212 8,217 2,220 2,223 3,224 15,227 2,229 1,232 9,236 5,237 3,245 8,249 6,250 6,253 4,255 1,258 9,263 7,266 1,275 3363,276 26.739,277 26.739,278 26.739,279 26.739,280 26.739,281 24.721,282 37.967,283 15.903,284 27.635,285 21.16,286 21.16,287 21.16,288 21.16,289 21.16,290 17.85,291 50.157,292 7.383,293 22.454,294 4.62,295 2.533,296 1.254,297 0.697,298 0.697,299 0.697,300 4.398,306 1218,307 4.062,310 94.732,311 475.84,314 170.035,318 2.204,319 41.367,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 86,331 568,332 4.698,333 3.768,334 6.935,335 4.252,336 3.305,337 4.639,338 2.208,339 11.724,340 3.131,341 4.186,342 3.545,343 6.458,344 3.869,345 2.931,346 3.796,347 1.656,348 9.978,349 2.766,350 4.059,351 3.421,352 6.131,353 3.787,354 2.819,355 3.391,356 0.86,357 9.021,358 2.716,359 3.935,360 3.117,361 6.025,362 3.689,363 2.756,364 3.172,365 0.8,366 8.563,367 2.554,368 3.831,369 2.841,370 5.776,371 3.506,372 2.546,373 3.101,374 0.655,375 7.68,376 2.433,377 3.553,378 2.601,379 5.47,380 3.334,381 2.367,382 2.711,383 0.247,384 7.329,385 2.278,386 3.455,387 2.398,388 5.094,389 3.056,390 2.075,391 2.635,392 0.13,393 5.664,394 2.023,395 3.125,396 2.324,397 4.821,398 2.846,399 1.905,400 2.226,402 5.493,403 1.787,404 2.961,405 2.09,406 4.465,407 2.477,408 1.566,409 2.156,411 4.29,412 1.422,413 2.736,414 1.807,415 4.352,416 2.445,417 1.495,418 1.758,420 4.04,421 1.412,422 2.508,423 1.755,424 4.141,425 2.333,426 1.414,427 1.508,428 3.39,429 1.291,430 2.5,431 1.536,432 3.936,433 2.134,434 1.229,435 1.5,436 2.989,437 1.102,438 2.414,439 1.51,440 3.654,441 2.05,442 1.108,443 1.414,445 2.895,446 1.039,447 2.342,448 1.452,449 3.536,450 2,451 1.01,452 1.327,454 2.275,455 1,456 2.122,457 1.112,458 3.414,459 1.984,460 1,461 1.076,463 2.275,464 0.983,465 18.033,466 0.462,467 0.866,468 0.022,469 45.25,470 1.16,471 18,472 0.462,473 27.25,474 0.699,475 41.58,476 1.066,477 44.367,478 0.592,479 39.246,480 1.006,481 8.674,482 0.222,483 10.303,484 0.264,485 0.12,487 0.344,493 0.802,494 1.665,495 0.805,496 1.341,497 0.592,498 1.106,499 0.868,500 1.155,501 0.883,502 0.979,503 0.54,504 0.939,505 1.075,506 1.126,507 0.922,508 0.915,509 0.809,510 0.881,511 1.278,512 0.992,513 1.058,514 0.918,515 1.349,516 0.94,517 1.261,518 1.04,519 1.11,520 0.931,521 1.507,522 0.98,523 0.733,524 1.223,525 1.02,526 1.16,527 0.653,528 1.138,529 0.758,530 0.997,531 1.028,532 0.987,533 0.516,534 1.026,535 0.459,536 1.019,537 0.941,538 1.223,539 0.449,540 1.184,541 7,542 0.4,543 4.889,544 2.472,545 1.876,546 1.646,547 1.252,548 0.682,549 0.421,550 0.403,551 23526,552 61667,553 2.095,554 48,556 20,558 1,559 2,561 9,562 4,564 1.799,565 1.966,566 3.741,567 0.213,573 120.662,574 1.609,575 3.695,576 4.975,577 5.532,578 5.532,579 5.532,580 3.243,581 5.08,582 5.244,583 3.948,584 2925.15,585 9.286,586 49111.2,591 467.161,592 1.389,593 5.219,594 0.163,595 0.009,596 0.081,597 0.038,598 0.029,599 0.026,600 0.02,601 0.011,602 0.007,603 0.008,604 0.392,605 0.33,606 0.63,607 1.31,608 217.419,609 -0.014,610 -0.329,611 0.078,612 -0.164,613 -0.018,614 -0.047,615 0.161,616 0.006,617 0.082,618 0.046,619 0.145,620 0.042,621 -0.105,622 -0.052,623 0.057,624 0.068,625 -0.022,626 0.092,627 -0.155,628 0.076,629 -0.061,630 0.052,631 -0.119,632 0.016,633 -0.215,634 0.046,635 -0.133,636 0.074,637 -0.231,638 -0.002,639 -0.004,640 -0.098,641 -0.091,642 -0.115,643 -0.041,644 -0.121,645 0.005,646 0.081,647 -0.076,648 0.005,649 0.015,650 -0.035,651 0.196,652 0.036,653 -0.022,654 -0.139,655 0.145,656 -0.129,657 1.931,658 5.19,659 0.692,660 55.247,661 1.007,662 1.142,663 2.871,664 8.241,665 0.634,666 3.784,667 4.111,668 4.419,669 4.71,670 4.977,671 5.17,672 5.416,673 5.628,674 5.796,675 5.981,676 8.232,677 0.605,678 536.71,679 3.784,680 5.333,681 6.196,682 7.084,683 7.97,684 8.87,685 9.768,686 10.675,687 11.582,688 12.495,689 10.7,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 75,733 18,734 1,735 43,737 79,738 27,739 11,740 2,741 4,746 5,747 6,751 1,752 3,755 4,758 4,761 13,762 14,766 2,771 2,775 2,781 36,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 3,848 39,854 9,855 2,856 2,858 2,859 2,870 5.3,873 2,874 1,875 1,877 19.833,878 14.2,879 8.722,880 4.987,881 3.159,882 1.364,883 0.962,884 8.851,885 11.849,886 3.989,887 4.541,888 5.122,889 5.73,890 6.294,891 6.759,892 7.29,893 7.778,894 8.146,895 8.578,896 1,897 65,898 14.493,900 6.148,901 7.718,902 27.877,904 22.927,905 2.218,906 86.5,910 400.217,911 126.622,912 94.281,914 72.29,917 126.622,918 472.507,919 94.281,920 26.476,921 66.415,922 37.905,923 125.01,924 35.791,925 13.366,926 388.446,928 400.217,929 220.903,930 72.29,933 249.521,934 214.314,935 11,937 105.43,938 62.911,939 50.234,941 400.217,942 166.57,943 126.622,946 400.217,947 53.194,948 81.453,949 36.022,950 122.524,951 400.217,952 166.57,953 126.622,955 0.574,956 0.34,957 0.187,958 0.099,959 28,960 13,961 0.089,962 7,963 1,964 1.074,965 4.781,966 397.338,967 0.074,968 27,969 196.131,974 27.625,975 12.495,976 6.133,977 1.669,978 164.794,979 9.365,980 14.779,984 2.952,985 1.989,986 36.022,987 693.41,988 53,993 24.101,997 -0.51,999 75.494,1000 85.637,1001 0.258,1002 0.593,1003 0.799,1004 0.888,1005 0.888,1006 0.888,1007 5.247,1008 1.905,1009 6.18,1010 5.664,1011 4.796,1012 5.228,1013 2.857,1014 7.013,1015 4.687,1016 6.426,1017 1.566,1018 7.751,1019 5.493,1020 4.369,1021 5.056,1022 2.2,1023 7.96,1024 4.225,1025 7.729,1026 1.495,1027 9.423,1028 4.29,1029 6.405,1030 7.386,1031 3.824,1032 11.088,1033 6.19,1034 9.069,1035 1.414,1036 11.157,1037 4.04,1038 6.825,1039 8.101,1040 3.876,1041 12.883,1042 6.568,1043 10.445,1044 1.229,1045 12.931,1046 3.39,1047 8.311,1048 9.922,1049 5.122,1050 15.531,1051 7.991,1052 11.847,1053 1.108,1054 14.732,1055 2.989,1056 9.118,1057 11.054,1058 5.498,1059 17.679,1060 8.748,1061 13.27,1062 1.01,1063 16.553,1064 2.895,1065 10.388,1066 12.685,1067 6.553,1068 20.174,1069 9.962,1070 3.305,1071 1,1072 18.389,1073 2.275,1074 11.377,1075 14.023,1076 7.101,1077 22.48,1078 10.897,1079 2.931,1080 11.724,1081 20.237,1082 2.275,1083 12.565,1084 15.582,1085 8.048,1086 24.928,1087 12.031,1088 2.819,1089 9.978,1090 22.095,1091 4.639,1092 13.642,1093 17.019,1094 8.696,1095 27.307,1096 13.052,1097 2.756,1098 9.021,1099 23.961,1100 3.796,1101 14.804,1102 18.554,1103 9.58,1104 29.747,1105 14.161,1106 2.546,1107 8.563,1108 25.834,1109 3.391,1110 15.925,1111 20.039,1112 10.287,1113 32.161,1114 15.227,1115 2.367,1116 7.68,1117 27.713,1118 3.172,1119 17.083,1120 21.567,1121 11.134,1122 34.603,1123 16.331,1124 2.075,1125 7.329,1126 29.598,1127 3.101,1128 18.228,1129 23.076,1130 11.875,1131 37.036,1132 17.421,1133 22602,1134 36729,1135 28.838,1136 47.523,1137 64.739,1138 66.345,1139 66.886,1140 64.094,1141 64.074,1142 78.41,1143 13.112,1144 185.125,1145 60.656,1146 5.698,1147 5.768,1148 6.707,1149 5.356,1150 5.305,1151 7.639,1152 3.912,1153 19.354,1154 5.131,1155 19.976,1156 1.506,1157 1.543,1158 1.555,1159 1.491,1160 1.49,1161 1.823,1162 0.305,1163 4.305,1164 1.411,1165 4.143,1166 4.194,1167 4.118,1168 3.984,1169 7.434,1170 4.01,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.43,1176 3.811,1177 3.828,1178 3.882,1179 3.737,1180 3.652,1181 5.135,1182 3.661,1183 3.752,1184 3.807,1185 3.65,1186 3.546,1187 4.752,1188 3.56,1189 3.614,1190 3.686,1191 3.513,1192 3.375,1193 4.631,1194 3.39,1195 3.524,1196 3.578,1197 3.389,1198 3.294,1199 4.502,1200 3.301,1201 3.315,1202 3.387,1203 3.209,1204 3.095,1205 4.462,1206 3.115,1207 3.264,1208 3.351,1209 3.08,1210 3.085,1211 4.22,1212 3.064,1213 0.109,1214 0.088,1215 0.161,1216 0.099,1217 0.077,1218 4.698,1219 0.108,1220 3.768,1221 0.051,1222 6.935,1223 0.273,1224 4.252,1225 0.073,1226 3.305,1227 4.639,1228 2.208,1229 11.724,1230 3.131,1231 1.957,1232 1.925,1233 2.051,1234 2.106,1235 1.409,1236 2.087,1237 1.849,1238 1.8,1239 2.015,1240 2.027,1241 1.259,1242 2.024,1243 1.794,1244 1.744,1245 1.963,1246 1.978,1247 1.109,1248 1.975,1249 1.621,1250 1.574,1251 1.844,1252 1.845,1253 0.989,1254 1.836,1255 1.552,1256 1.474,1257 1.803,1258 1.785,1259 0.939,1260 1.783,1261 1.488,1262 1.427,1263 1.733,1264 1.742,1265 0.906,1266 1.753,1267 1.295,1268 1.212,1269 1.631,1270 1.588,1271 0.872,1272 1.566,1273 1.279,1274 1.202,1275 1.513,1276 1.519,1277 0.825,1278 1.548,1279 4.466,1281 5.79,1282 2.398,1283 7.315,1284 4.727,1285 8.934,1286 6.862,1287 10.603,1289 5.819,1295 5.645,1296 5.552,1297 10.86,1299 0.263,1300 4.015,1305 45.406,1306 120.662,1307 277.161,1308 373.122,1309 414.897,1310 414.897,1311 414.897,1312 74.974,1313 8.69,1314 126.74,1315 126.74,1316 29,1317 13.01,1318 4.248,1319 3.459,1320 61.213,1321 185,1322 243,1323 0.158,1324 276.789,1325 480.56,1326 667.126,1327 74060,1329 27.355,1330 0.701,1331 0.583,1332 27.355,1333 22.722,1334 18.978,1335 0.441,1336 0.317,1337 13.386,1338 17.945,1339 13.101,1340 10.813,1341 18.978,1342 13.647,1343 16.741,1344 0.279,1345 0.163,1346 16.741,1347 9.794,1348 14.407,1349 0.176,1350 0.087,1351 14.407,1352 7.148,1353 12.334,1354 0.112,1355 0.046,1356 12.334,1357 5.114,1358 9.787,1359 0.068,1360 0.025,1361 9.787,1362 3.548,1363 0.247,1364 120.713,1365 0.186,1366 35.057,1367 0.435,1368 206,1369 629.479,1370 235.027,1371 590.04,1372 811.94,1373 556,1374 245,1375 606.093,1376 274.368,1377 600.711,1378 891.44,1379 567,1380 5.36}
{0 CHEMBL567694,1 1.596,2 15.081,3 2.727,4 7.435,5 140.112,6 7.57,7 0.524,8 4.317,9 4.45,10 3.909,11 3.798,12 5.393,13 3.802,14 4.877,15 5.061,16 4.296,17 4.205,18 5.936,19 4.191,20 5.123,21 5.344,22 4.318,23 4.328,24 6.121,25 4.283,26 5.113,27 5.356,28 4.247,29 4.301,30 6.126,31 4.239,32 5.048,33 5.269,34 4.25,35 4.28,36 6.109,37 4.224,38 5.04,39 5.26,40 4.255,41 4.291,42 6.044,43 4.247,44 5.042,45 5.242,46 4.235,47 4.327,48 6.059,49 4.258,50 5.139,51 5.393,52 4.05,53 4.302,54 6.082,55 4.173,56 0.087,57 1.092,58 13.495,59 5.234,60 10.423,61 7.246,62 0.457,63 1.726,64 26.704,65 8.864,66 35.269,67 12.624,68 0.624,69 2.024,70 37.043,71 10.96,72 51.95,73 16.176,74 0.571,75 2,76 36.834,77 10.859,78 54.512,79 16.511,80 0.511,81 1.866,82 33.921,83 11.105,84 60.378,85 16.201,86 0.523,87 1.91,88 33.364,89 9.943,90 46.649,91 14.672,92 0.542,93 1.931,94 32.018,95 10.858,96 41.953,97 15.744,98 0.574,99 1.888,100 38.667,101 13.519,102 66.452,103 19.782,104 14,105 60,106 0.25,107 0.613,108 0.783,109 0.833,110 0.845,111 0.845,112 3.642,113 0.897,114 -4.74,115 -4.65,116 -4.37,119 39.4,120 1,121 2,124 1,125 3,127 2,142 6,143 2,144 2,145 2,147 2,149 1,159 1,161 1,166 1,172 6,174 3,175 11,178 3,179 1,180 4,183 4,186 2,187 8,190 1,192 4,195 2,198 5,199 10,204 4,207 2,211 2,212 11,215 1,216 1,217 3,220 4,224 9,227 2,229 1,232 5,236 3,237 11,240 1,241 1,245 8,249 2,250 4,253 4,255 1,258 9,263 4,266 1,268 2,271 7,275 2782,276 25.616,277 25.616,278 25.616,279 25.616,280 25.616,281 22.979,282 35.402,283 14.842,284 26.299,285 20.662,286 20.662,287 20.662,288 20.662,289 20.662,290 16.485,291 49.939,292 6.971,293 21.755,294 4.449,295 2.134,296 1.05,297 0.731,298 0.659,299 0.659,300 4.36,305 1,306 1258,307 3.606,310 180.896,311 459.252,312 117.104,314 164.419,318 2.349,319 32.082,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 80.5,331 558,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.816,345 2.882,346 3.792,347 0.86,348 9.109,349 2.74,350 4.062,351 3.148,352 6.11,353 3.768,354 2.799,355 3.647,356 0.8,357 8.944,358 2.659,359 3.985,360 2.797,361 5.65,362 3.655,363 2.697,364 3.318,365 0.4,366 7.734,367 2.58,368 3.823,369 2.724,370 5.597,371 3.454,372 2.504,373 3.163,374 0.247,375 7.698,376 2.38,377 3.653,378 2.716,379 5.407,380 3.375,381 2.442,382 2.87,384 7.143,385 2.269,386 3.554,387 2.42,388 5.159,389 3.174,390 2.222,391 2.761,393 6.422,394 2.111,395 3.269,396 2.288,397 5.009,398 2.839,399 1.879,400 2.489,402 5.638,403 1.805,404 2.977,405 2.093,406 4.879,407 2.83,408 1.845,409 2.151,411 5.443,412 1.794,413 2.947,414 1.961,415 4.642,416 2.705,417 1.755,418 2.057,420 4.992,421 1.66,422 2.879,423 1.535,424 4.409,425 2.43,426 1.474,427 1.879,428 4.236,429 1.403,430 2.625,431 1.326,432 4.28,433 2.17,434 1.237,435 1.668,436 3.585,437 1.152,438 2.5,439 1,440 3.664,441 2,442 1,443 1.5,445 2.275,446 1,447 2.5,448 1,449 3.414,450 1.959,451 1,452 1.5,454 2.275,455 0.957,456 2.222,457 0.966,458 3.414,459 1.831,460 0.888,461 1.145,463 2.222,464 0.835,465 17.267,466 0.467,467 0.841,468 0.023,469 49.75,470 1.345,471 23.5,472 0.635,473 26.25,474 0.709,475 32.435,476 0.877,477 39.733,478 0.602,479 39.704,480 1.073,481 9.528,482 0.258,483 8.561,484 0.231,485 0.077,487 0.365,493 0.858,494 1.495,495 0.759,496 1.159,497 0.652,498 0.97,499 0.941,500 1.131,501 0.848,502 0.992,503 0.608,504 0.916,505 1.282,506 1.14,507 1.009,508 0.948,509 0.973,510 0.941,511 0.964,512 0.972,513 1.004,514 0.949,515 0.905,516 0.961,517 0.957,518 1.095,519 0.919,520 1.025,521 1.328,522 0.978,523 1.226,524 0.979,525 1.052,526 0.898,527 1.172,528 0.924,529 0.894,530 1.153,531 1.163,532 1.204,533 0.728,534 1.218,535 0.669,536 0.91,537 1.049,538 1.145,539 0.758,540 1.161,541 8,542 0.208,543 3.556,544 2.104,545 1.835,546 1.497,547 0.806,548 0.467,549 0.439,550 0.291,551 24088,552 59705,553 2.18,554 43.9,556 17,558 2,559 3,561 7,564 1.779,565 2.075,566 3.786,567 0.836,573 105.308,574 1.596,575 3.911,576 4.995,577 5.313,578 5.385,579 5.385,580 3.26,581 4.777,582 5.176,583 4.026,584 2681.36,585 9.098,586 44634,591 398.93,592 1.288,593 5.156,594 0.19,595 0.007,596 0.059,597 0.035,598 0.033,599 0.027,600 0.014,601 0.009,602 0.01,603 0.008,604 0.393,605 0.17,606 0.63,607 0.662,608 205.64,609 -0.031,610 -0.247,611 0.073,612 -0.096,613 -0.034,614 -0.01,615 0.101,616 0.008,617 0.073,618 0.004,619 0.128,620 0.026,621 -0.143,622 -0.106,623 -0.03,624 0.023,625 -0.04,626 0.01,627 -0.058,628 0.075,629 -0.034,630 0.003,631 0.011,632 -0.004,633 0.026,634 -0.072,635 0.039,636 -0.017,637 -0.007,638 0.007,639 -0.206,640 0.103,641 -0.097,642 0.067,643 -0.146,644 0.021,645 0.004,646 -0.051,647 -0.248,648 -0.194,649 -0.036,650 -0.25,651 0.106,652 0.04,653 -0.082,654 -0.117,655 0.082,656 -0.129,657 2.013,658 5.441,659 0.784,660 47.286,661 1.006,662 1.137,663 3.508,664 12.306,665 0.66,666 3.761,667 4.111,668 4.419,669 4.727,670 4.984,671 5.153,672 5.347,673 5.509,674 5.666,675 5.832,676 8.651,677 0.635,678 499.64,679 3.761,680 5.323,681 6.192,682 7.086,683 7.971,684 8.871,685 9.764,686 10.668,687 11.567,688 12.475,689 13.6,694 1,695 1,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,724 1,726 1,731 66,733 23,734 1,735 42,737 71,738 26,739 16,740 2,741 4,746 6,747 8,751 1,752 1,755 4,758 4,761 17,762 9,766 1,771 1,775 1,781 29,782 10,783 3,784 11,790 9,794 0.667,795 2,801 1,803 1,805 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,844 2,848 37,854 5,855 3,856 1,858 2,859 1,870 3,873 1,874 1,877 17.833,878 12.367,879 8.056,880 4.143,881 4.081,882 1.461,883 1.021,884 6.572,885 12.936,886 4.007,887 4.618,888 5.22,889 5.838,890 6.397,891 6.772,892 7.254,893 7.701,894 8.042,895 8.46,896 0.9,897 60,898 13.685,900 5.915,901 7.64,902 26.39,904 22.158,905 2.14,906 79.167,910 306.049,911 127.807,912 125.953,914 36.145,917 127.807,918 342.193,919 125.953,920 17.222,921 47.408,922 56.857,923 146.433,924 36.596,925 8.932,926 282.506,928 306.049,929 253.76,930 36.145,933 225.979,934 107.543,935 11,937 77.82,938 88.582,939 85.03,941 306.049,942 162.098,943 127.807,946 306.049,947 35.633,948 97.075,949 54.032,950 103.164,951 306.049,952 162.098,953 127.807,955 0.584,956 0.346,957 0.191,958 0.104,959 31,960 13,961 0.085,962 6,963 3,964 1.172,965 4.831,966 371.663,967 0.207,968 28,969 182.75,974 23.952,975 10.152,976 4.936,977 1.778,978 160.321,979 14.56,980 18.603,984 4.383,985 1.9,986 54.032,987 595.953,988 54,993 12.441,997 -0.347,999 66.407,1000 75.056,1001 0.264,1002 0.647,1003 0.826,1004 0.879,1005 0.891,1006 0.891,1007 5.265,1008 1.879,1009 6.18,1010 6.422,1011 4.796,1012 5.306,1013 2.147,1014 7.002,1015 4.694,1016 6.465,1017 1.845,1018 7.74,1019 5.638,1020 4.369,1021 5.112,1022 1.305,1023 7.881,1024 4.218,1025 7.773,1026 1.755,1027 9.393,1028 5.443,1029 6.405,1030 7.504,1031 2.549,1032 10.986,1033 6.2,1034 9.115,1035 1.474,1036 11.101,1037 4.992,1038 6.792,1039 8.16,1040 2.354,1041 12.7,1042 6.531,1043 10.488,1044 1.237,1045 12.845,1046 4.236,1047 8.278,1048 10.029,1049 3.285,1050 15.327,1051 7.968,1052 11.884,1053 1,1054 14.616,1055 3.585,1056 9.048,1057 11.105,1058 3.414,1059 17.42,1060 8.68,1061 13.298,1062 1,1063 16.406,1064 2.275,1065 10.314,1066 12.761,1067 4.168,1068 19.891,1069 9.899,1070 3.264,1071 0.888,1072 18.213,1073 2.275,1074 11.273,1075 14.057,1076 4.466,1077 22.162,1078 10.8,1079 2.882,1080 11.414,1081 20.034,1082 2.222,1083 12.453,1084 15.625,1085 5.115,1086 24.589,1087 11.932,1088 2.799,1089 9.109,1090 21.868,1091 4.627,1092 13.507,1093 17.035,1094 5.504,1095 26.942,1096 12.929,1097 2.697,1098 8.944,1099 23.711,1100 3.792,1101 14.659,1102 18.57,1103 6.092,1104 29.36,1105 14.03,1106 2.504,1107 7.734,1108 25.564,1109 3.647,1110 15.762,1111 20.038,1112 6.531,1113 31.752,1114 15.077,1115 2.442,1116 7.698,1117 27.425,1118 3.318,1119 16.908,1120 21.562,1121 7.084,1122 34.173,1123 16.171,1124 2.222,1125 7.143,1126 29.293,1127 3.163,1128 18.038,1129 23.06,1130 7.551,1131 36.584,1132 17.245,1133 22015,1134 34844,1135 28.838,1136 43.574,1137 63.367,1138 64.386,1139 64.737,1140 63.053,1141 63.077,1142 80.713,1143 7.926,1144 184.916,1145 59.934,1146 5.675,1147 5.562,1148 6.398,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 14.906,1156 1.509,1157 1.533,1158 1.541,1159 1.501,1160 1.502,1161 1.922,1162 0.189,1163 4.403,1164 1.427,1165 4.132,1166 4.183,1167 4.108,1168 3.977,1169 7.431,1170 4.002,1171 3.92,1172 3.966,1173 3.871,1174 3.803,1175 5.137,1176 3.811,1177 3.898,1178 3.941,1179 3.813,1180 3.757,1181 4.908,1182 3.768,1183 3.857,1184 3.899,1185 3.788,1186 3.713,1187 4.752,1188 3.724,1189 3.499,1190 3.572,1191 3.429,1192 3.283,1193 4.67,1194 3.291,1195 3.433,1196 3.507,1197 3.323,1198 3.174,1199 4.485,1200 3.21,1201 3.271,1202 3.355,1203 3.115,1204 3.04,1205 4.219,1206 3.047,1207 3.205,1208 3.299,1209 3.022,1210 2.98,1211 4.042,1212 2.982,1213 0.111,1214 0.085,1215 0.163,1216 0.1,1217 0.078,1218 4.675,1219 0.11,1220 3.562,1221 0.039,1222 6.845,1223 0.272,1224 4.211,1225 0.074,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.921,1233 2.029,1234 2.085,1235 1.255,1236 2.065,1237 1.835,1238 1.793,1239 1.937,1240 2.005,1241 1.224,1242 1.986,1243 1.789,1244 1.752,1245 1.906,1246 1.937,1247 1.111,1248 1.933,1249 1.619,1250 1.557,1251 1.86,1252 1.875,1253 1.043,1254 1.863,1255 1.604,1256 1.543,1257 1.85,1258 1.76,1259 0.969,1260 1.798,1261 1.509,1262 1.444,1263 1.681,1264 1.724,1265 0.835,1266 1.712,1267 1.342,1268 1.267,1269 1.638,1270 1.639,1271 0.659,1272 1.635,1273 1.208,1274 1.136,1275 1.371,1276 1.487,1277 0.496,1278 1.469,1279 4.443,1281 5.784,1282 3.045,1283 7.314,1284 5.416,1285 8.929,1286 7.506,1287 10.593,1289 3.847,1295 4.556,1296 8.581,1297 6.043,1299 0.504,1300 2.319,1305 41.89,1306 105.308,1307 258.097,1308 329.646,1309 350.665,1310 355.42,1311 355.42,1312 54.506,1313 8.855,1314 122.12,1315 122.12,1316 34,1317 12.993,1318 4.585,1319 3.7,1320 51.275,1321 190,1322 239,1323 0.128,1324 252.751,1325 428.14,1326 608.472,1327 103053,1329 25.355,1330 0.685,1331 0.562,1332 25.355,1333 20.809,1334 18.089,1335 0.431,1336 0.299,1337 12.336,1338 17.24,1339 12.094,1340 9.976,1341 18.089,1342 12.555,1343 16.398,1344 0.273,1345 0.154,1346 16.398,1347 9.269,1348 14.351,1349 0.175,1350 0.083,1351 14.351,1352 6.797,1353 12.401,1354 0.111,1355 0.044,1356 12.401,1357 4.942,1358 10.042,1359 0.069,1360 0.023,1361 10.042,1362 3.362,1363 0.206,1364 114.178,1365 0.186,1366 34.07,1367 0.338,1368 204,1369 578.34,1370 228.683,1371 556.986,1372 782.7,1373 526,1374 244,1375 602.736,1376 269.908,1377 602.733,1378 890.7,1379 570,1380 6.569}
{0 CHEMBL567822,1 1.84,2 11.333,3 2.612,4 6.82,5 112.686,6 8.391,7 0.432,8 4.158,9 4.28,10 3.814,11 3.599,12 5.306,13 3.636,14 4.759,15 4.93,16 4.279,17 4.016,18 6.269,19 4.042,20 4.984,21 5.2,22 4.245,23 4.157,24 6.118,25 4.141,26 4.99,27 5.213,28 4.242,29 4.144,30 6.184,31 4.121,32 4.917,33 5.125,34 4.307,35 4.144,36 6.193,37 4.147,38 4.933,39 5.119,40 4.269,41 4.171,42 6.101,43 4.164,44 5.011,45 5.241,46 4.214,47 4.143,48 6.211,49 4.107,50 4.929,51 5.141,52 4.126,53 4.091,54 6.117,55 4.034,56 0.252,57 1.088,58 9.296,59 4.545,60 27.843,61 5.464,62 1.196,63 2.022,64 22.186,65 7.676,66 160.498,67 9.643,68 1.157,69 1.839,70 30.85,71 9.221,72 96.343,73 12.69,74 1.091,75 1.867,76 31.227,77 9.557,78 99.857,79 13.403,80 0.919,81 2.023,82 27.727,83 9.304,84 87.504,85 12.534,86 0.816,87 1.998,88 25.535,89 9.32,90 72.164,91 11.847,92 1.228,93 1.962,94 31.775,95 9.271,96 80.874,97 13.277,98 0.774,99 2.009,100 28.146,101 12.064,102 80.84,103 15.086,104 35,105 55,106 0.302,107 0.672,108 0.808,109 0.82,110 0.82,111 0.82,112 3.533,113 0.858,114 -4.6,115 -4.53,116 -4.26,119 38.2,121 2,124 1,125 3,127 2,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 2,183 4,186 2,187 6,192 2,195 2,198 5,199 10,204 3,207 3,211 1,212 8,217 2,220 2,224 13,227 2,229 1,232 4,236 3,237 3,245 4,249 2,250 2,253 4,255 1,258 4,263 2,266 1,275 1926,276 22.074,277 22.074,278 22.074,279 22.074,280 22.074,281 20.161,282 27.517,283 12.632,284 22.866,285 18.25,286 18.25,287 18.25,288 18.25,289 18.25,290 15.181,291 36.316,292 5.974,293 19.614,294 3.941,295 1.69,296 0.864,297 0.791,298 0.791,299 0.791,300 4.237,304 1,305 1,306 819,307 4.123,310 140.89,311 264.896,312 91.82,314 132.92,318 1.758,319 53.433,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 76,331 374,332 4.696,333 4.269,334 7.008,335 4.282,336 3.343,337 4.631,338 3.02,339 12.004,340 3.148,341 4.212,342 3.54,343 6.597,344 4.008,345 3.145,346 3.793,347 1.656,348 10.564,349 2.842,350 4.169,351 3.51,352 6.369,353 3.86,354 2.949,355 3.419,356 0.86,357 9.835,358 2.732,359 4.027,360 3.1,361 6.102,362 3.725,363 2.77,364 3.189,365 0.8,366 8.913,367 2.468,368 3.827,369 2.787,370 5.582,371 3.481,372 2.52,373 3.074,374 0.247,375 7.327,376 2.397,377 3.504,378 2.446,379 5.464,380 3.128,381 2.19,382 2.722,384 7.117,385 2.032,386 3.43,387 2.359,388 5.086,389 3.022,390 2.039,391 2.663,393 5.839,394 1.983,395 2.962,396 2.016,397 4.782,398 2.851,399 1.879,400 2.165,402 5.327,403 1.822,404 2.879,405 1.98,406 4.65,407 2.442,408 1.494,409 1.879,411 4.394,412 1.412,413 2.744,414 1.541,415 4.42,416 2.36,417 1.442,418 1.83,420 4.264,421 1.32,422 2.5,423 1.479,424 4.048,425 2.166,426 1.275,427 1.5,428 3.051,429 1.121,430 2.472,431 1.114,432 3.612,433 2.007,434 1.063,435 1.464,436 2.691,437 1.001,438 2.283,439 1.094,440 3.517,441 2,442 1,443 1.268,445 2.275,446 1,447 1.88,448 1,449 3.414,450 1.615,451 0.686,452 0.8,454 1.827,455 0.635,456 1.52,457 0.797,458 3.126,459 1.33,460 0.403,461 0.432,463 0.63,464 0.372,465 14.824,466 0.449,467 1.024,468 0.031,469 40,470 1.212,471 16.5,472 0.5,473 23.5,474 0.712,475 30.408,476 0.921,477 37.376,478 0.68,479 35.071,480 1.063,481 7.91,482 0.24,483 7.91,484 0.24,485 0.114,486 0.034,487 0.358,490 3,493 0.653,494 1.217,495 0.641,496 1.204,497 0.563,498 0.983,499 0.598,500 0.839,501 0.742,502 0.936,503 0.382,504 0.905,505 0.828,506 0.815,507 0.97,508 0.915,509 0.742,510 0.969,511 0.668,512 0.731,513 0.865,514 0.908,515 0.567,516 0.951,517 0.692,518 0.94,519 0.723,520 0.933,521 0.664,522 0.857,523 0.856,524 1.137,525 1.026,526 1.229,527 0.751,528 1.194,529 0.651,530 0.698,531 0.999,532 0.933,533 0.555,534 1.046,535 0.636,536 1.189,537 0.865,538 1.453,539 0.707,540 1.329,541 8,542 0.264,543 3.778,544 2.132,545 1.728,546 1.538,547 1.064,548 0.671,549 0.566,550 0.392,551 14385,552 48931,553 2.105,554 40,556 15,558 1,559 2,561 4,564 1.759,565 1.951,566 3.39,567 0.312,569 1,573 101.222,574 1.84,575 4.091,576 4.918,577 4.99,578 4.99,579 4.99,580 2.854,581 4.415,582 5.008,583 3.624,584 1913.4,585 8.815,586 27688.1,591 317.975,592 1.6,593 4.962,594 0.216,595 0.011,596 0.069,597 0.039,598 0.033,599 0.027,600 0.019,601 0.014,602 0.013,603 0.01,604 0.45,605 0.17,606 0.75,607 1.208,608 172.402,609 -0.054,610 -0.186,611 0.046,612 -0.111,613 -0.062,614 -0.02,615 0.265,616 0.187,617 0.104,618 0.069,619 0.368,620 0.03,621 -0.054,622 0.07,623 -0.07,624 0.054,625 -0.056,626 0.004,627 0.027,628 0.059,629 0.037,630 0.043,631 0.033,632 0.036,633 0.043,634 -0.02,635 0.158,636 0.077,637 0.052,638 0.144,639 -0.134,640 -0.173,641 -0.199,642 -0.218,643 -0.094,644 -0.227,645 0.087,646 0.17,647 -0.087,648 0.006,649 0.045,650 -0.078,651 0.124,652 -0.237,653 0.05,654 -0.354,655 0.066,656 -0.242,657 5.685,658 5.167,659 0.697,660 35.972,661 1.034,662 1.158,663 3.374,664 11.386,665 0.648,666 3.638,667 4.025,668 4.304,669 4.654,670 4.934,671 5.142,672 5.371,673 5.576,674 5.746,675 5.903,676 6.792,677 0.645,678 461.5,679 3.638,680 5.22,681 6.089,682 7.008,683 7.901,684 8.826,685 9.732,686 10.661,687 11.577,688 12.508,689 12.7,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 55,733 17,734 1,735 37,737 59,738 21,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 4,757 1,758 4,761 12,762 9,766 1,771 1,775 1,778 1,779 3,781 22,782 11,783 2,784 12,790 7,794 0.6,795 2,803 1,806 1,808 1,811 2,812 3,813 1,815 1,839 1,840 3,844 1,846 3,848 33,854 5,855 2,856 1,858 2,859 1,860 1,869 3,870 3.6,873 1,874 1,877 16.917,878 10.095,879 6.986,880 3.261,881 3.114,882 1.37,883 1.001,884 5.731,885 11.527,886 3.85,887 4.463,888 5.041,889 5.691,890 6.275,891 6.739,892 7.273,893 7.755,894 8.115,895 8.523,896 1,897 54,898 12.703,900 6.039,901 8.154,902 22.758,904 19.298,905 2.654,906 87.583,909 1,910 235.422,911 98.63,912 91.156,914 36.145,915 44.88,917 98.63,918 271.567,919 136.037,920 8.396,921 52.381,922 37.905,923 99.865,924 69.672,925 6.604,926 223.651,927 7.76,928 235.422,929 189.787,930 81.025,933 190.666,934 117.11,935 11,937 72.68,938 64.545,939 50.234,941 280.302,942 127.301,943 98.63,946 243.182,947 35.522,948 60.25,949 36.022,950 131.259,951 235.422,952 172.182,953 98.63,955 0.595,956 0.331,957 0.183,958 0.104,959 29,960 13,961 0.068,962 4,963 3,964 1.217,965 4.249,966 328.9,967 0.261,968 22,969 151.71,974 22.084,975 8.563,976 4.409,977 0.616,978 170.405,979 8.209,980 13.211,984 2.041,985 0.869,986 36.022,987 506.234,988 46,993 11.527,997 -0.36,999 56.858,1000 63.663,1001 0.318,1002 0.708,1003 0.851,1004 0.863,1005 0.863,1006 0.863,1007 5.142,1008 1.879,1009 6.125,1010 5.839,1011 4.71,1012 5.15,1013 3.087,1014 7.004,1015 4.575,1016 6.365,1017 1.494,1018 7.725,1019 5.327,1020 4.511,1021 5.094,1022 3.192,1023 8.134,1024 4.245,1025 7.698,1026 1.442,1027 9.427,1028 4.394,1029 6.409,1030 7.357,1031 4.666,1032 11.188,1033 6.127,1034 9.062,1035 1.275,1036 11.188,1037 4.264,1038 6.986,1039 8.109,1040 5.505,1041 13.097,1042 6.574,1043 10.457,1044 1.063,1045 12.985,1046 3.051,1047 8.407,1048 9.911,1049 6.696,1050 15.728,1051 7.965,1052 11.874,1053 1,1054 14.808,1055 2.691,1056 9.316,1057 11.051,1058 7.734,1059 17.947,1060 8.764,1061 13.307,1062 0.686,1063 16.65,1064 2.275,1065 10.568,1066 12.677,1067 8.859,1068 20.447,1069 9.969,1070 3.343,1071 0.403,1072 18.505,1073 1.827,1074 11.622,1075 14.014,1076 9.948,1077 22.797,1078 10.933,1079 3.145,1080 12.004,1081 20.372,1082 0.63,1083 12.814,1084 15.57,1085 11.057,1086 25.258,1087 12.069,1088 2.949,1089 10.564,1090 22.248,1091 4.631,1092 13.932,1093 17.005,1094 12.158,1095 27.667,1096 13.111,1097 2.77,1098 9.835,1099 24.131,1100 3.793,1101 15.106,1102 18.538,1103 13.264,1104 30.121,1105 14.226,1106 2.52,1107 8.913,1108 26.02,1109 3.419,1110 16.255,1111 20.021,1112 14.368,1113 32.558,1114 15.307,1115 2.19,1116 7.327,1117 27.915,1118 3.189,1119 17.427,1120 21.547,1121 15.474,1122 35.015,1123 16.419,1124 2.039,1125 7.117,1126 29.815,1127 3.074,1128 18.591,1129 23.053,1130 16.579,1131 37.467,1132 17.52,1133 13702,1134 25475,1135 24.561,1136 35.614,1137 57.083,1138 57.544,1139 58.364,1140 56.582,1141 56.398,1142 69.66,1143 13.166,1144 172.115,1145 52.57,1146 5.696,1147 6.269,1148 6.559,1149 5.386,1150 5.343,1151 7.631,1152 4.53,1153 19.65,1154 5.148,1155 17.534,1156 1.543,1157 1.555,1158 1.577,1159 1.529,1160 1.524,1161 1.883,1162 0.356,1163 4.652,1164 1.421,1165 4.139,1166 4.189,1167 4.117,1168 3.982,1169 8.513,1170 4.007,1171 3.905,1172 3.95,1173 3.842,1174 3.807,1175 7.999,1176 3.811,1177 3.881,1178 3.927,1179 3.8,1180 3.714,1181 7.999,1182 3.727,1183 3.575,1184 3.639,1185 3.542,1186 3.284,1187 7.431,1188 3.331,1189 3.508,1190 3.566,1191 3.453,1192 3.221,1193 5.132,1194 3.264,1195 3.207,1196 3.281,1197 3.164,1198 2.987,1199 4.751,1200 3.01,1201 3.144,1202 3.206,1203 2.959,1204 2.951,1205 4.647,1206 2.926,1207 3.093,1208 3.176,1209 2.89,1210 2.877,1211 4.473,1212 2.882,1213 0.127,1214 0.115,1215 0.189,1216 0.116,1217 0.09,1218 4.696,1219 0.125,1220 4.269,1221 0.082,1222 7.008,1223 0.324,1224 4.282,1225 0.085,1226 3.343,1227 4.631,1228 3.02,1229 12.004,1230 3.148,1231 1.95,1232 1.92,1233 2.026,1234 2.082,1235 1.255,1236 2.06,1237 1.789,1238 1.753,1239 1.891,1240 1.95,1241 1.223,1242 1.936,1243 1.604,1244 1.551,1245 1.86,1246 1.879,1247 1.108,1248 1.839,1249 1.604,1250 1.543,1251 1.754,1252 1.765,1253 0.972,1254 1.798,1255 1.484,1256 1.423,1257 1.696,1258 1.76,1259 0.782,1260 1.738,1261 1.423,1262 1.349,1263 1.627,1264 1.698,1265 0.688,1266 1.685,1267 1.114,1268 1.052,1269 1.285,1270 1.41,1271 0.496,1272 1.356,1273 0.965,1274 0.891,1275 1.215,1276 1.315,1277 0.323,1278 1.275,1279 4.317,1281 5.687,1282 3.045,1283 7.236,1284 5.476,1285 8.872,1286 7.609,1287 10.558,1289 1.511,1291 39.5,1295 1.725,1296 5.129,1297 5.666,1299 0.222,1300 2.151,1301 -4.435,1305 35.47,1306 101.222,1307 225.007,1308 270.465,1309 274.465,1310 274.465,1311 274.465,1312 66.992,1313 8.413,1314 97.2,1315 97.2,1316 28,1317 13.012,1318 4.17,1319 3.322,1320 47.536,1321 132,1322 170,1323 0.177,1324 210.971,1325 369.03,1326 506.528,1327 51810,1328 5.5,1329 23.165,1330 0.702,1331 0.538,1332 20.665,1333 17.763,1334 15.82,1335 0.428,1336 0.286,1337 10.312,1338 14.804,1339 10.195,1340 8.307,1341 14.673,1342 10.577,1343 15.461,1344 0.281,1345 0.148,1346 13.104,1347 8.137,1348 12.232,1349 0.168,1350 0.081,1351 11.882,1352 5.918,1353 10.765,1354 0.104,1355 0.043,1356 10.232,1357 4.422,1358 9.04,1359 0.066,1360 0.022,1361 8.474,1362 3.077,1363 0.272,1364 102.058,1365 0.202,1366 30.159,1367 0.503,1368 184,1369 748.696,1370 221.208,1371 630.821,1372 836.04,1373 588,1374 220,1375 600.904,1376 251.239,1377 580.119,1378 875.16,1379 546,1380 5.864}
{0 CHEMBL568259,1 1.641,2 13.316,3 1.618,4 2.617,5 138.582,6 7.438,7 0.372,8 4.375,9 4.502,10 3.949,11 3.821,12 5.427,13 3.83,14 4.976,15 5.161,16 4.348,17 4.253,18 6.025,19 4.239,20 5.236,21 5.455,22 4.398,23 4.415,24 6.198,25 4.367,26 5.297,27 5.538,28 4.35,29 4.408,30 6.306,31 4.352,32 5.197,33 5.416,34 4.35,35 4.411,36 6.189,37 4.353,38 5.215,39 5.44,40 4.363,41 4.438,42 6.169,43 4.373,44 5.221,45 5.446,46 4.373,47 4.434,48 6.176,49 4.366,50 5.241,51 5.475,52 4.309,53 4.441,54 6.216,55 4.349,56 0.112,57 1.117,58 14.921,59 5.754,60 10.023,61 8.052,62 0.763,63 1.79,64 31.08,65 9.684,66 50.543,67 14.139,68 0.703,69 2.161,70 42.043,71 12.436,72 55.631,73 18.925,74 1.025,75 2.188,76 46.658,77 12.487,78 92.746,79 19.029,80 0.683,81 2.101,82 40.285,83 12.558,84 69.191,85 18.78,86 0.732,87 2.197,88 40.577,89 12.353,90 56.546,91 18.909,92 0.718,93 2.175,94 40.798,95 12.663,96 54.082,97 19.585,98 0.803,99 2.132,100 42.217,101 14.236,102 71.75,103 20.921,104 26,105 62,106 0.256,107 0.596,108 0.775,109 0.819,110 0.819,111 0.819,112 3.668,113 0.914,114 -3.9,115 -3.86,116 -3.66,119 37.1,121 4,124 2,125 4,127 3,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 13,178 2,179 1,180 2,183 5,186 2,187 8,192 2,195 2,198 6,199 14,204 3,207 3,211 2,212 10,217 2,220 4,223 3,224 12,227 2,229 1,232 4,236 5,237 9,245 6,249 6,250 5,253 4,255 1,258 8,263 6,266 1,271 8,275 3028,276 26.168,277 26.168,278 26.168,279 26.168,280 26.168,281 24.15,282 35.883,283 15.058,284 26.972,285 21.117,286 21.117,287 21.117,288 21.117,289 21.117,290 17.757,291 47.565,292 7.044,293 22.293,294 4.489,295 2.31,296 1.164,297 0.879,298 0.879,299 0.879,300 4.384,306 1115,307 3.873,310 175.203,311 436.317,312 116.116,314 158.957,318 1.945,319 40.183,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 84,331 506,332 4.695,333 3.761,334 6.906,335 4.243,336 3.295,337 4.638,338 2.208,339 11.631,340 3.124,341 4.185,342 3.54,343 6.353,344 3.874,345 2.939,346 3.796,347 1.656,348 9.709,349 2.765,350 4.048,351 3.415,352 6.114,353 3.801,354 2.839,355 3.378,356 0.86,357 8.983,358 2.721,359 3.931,360 3.197,361 6.014,362 3.705,363 2.761,364 3.167,365 0.8,366 8.518,367 2.586,368 3.835,369 2.904,370 5.766,371 3.533,372 2.586,373 3.093,374 0.655,375 8.049,376 2.44,377 3.706,378 2.768,379 5.465,380 3.449,381 2.49,382 2.797,383 0.247,384 7.313,385 2.375,386 3.45,387 2.459,388 5.417,389 3.081,390 2.135,391 2.685,392 0.13,393 6.75,394 2.01,395 3.296,396 2.395,397 4.879,398 3.029,399 2.044,400 2.391,402 5.638,403 1.997,404 2.96,405 2.132,406 4.783,407 2.839,408 1.879,409 2.161,411 5.327,412 1.794,413 2.879,414 2.093,415 4.702,416 2.53,417 1.586,418 1.879,420 4.623,421 1.486,422 2.798,423 1.546,424 4.404,425 2.44,426 1.488,427 1.815,428 4.238,429 1.412,430 2.628,431 1.535,432 4.216,433 2.261,434 1.336,435 1.663,436 3.618,437 1.227,438 2.5,439 1.461,440 3.943,441 2.02,442 1.072,443 1.5,445 2.865,446 1.012,447 2.416,448 1.114,449 3.664,450 2,451 1,452 1.38,454 2.275,455 1,456 2.049,457 1.096,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 17.533,466 0.461,467 0.913,468 0.024,469 45.25,470 1.191,471 18,472 0.474,473 27.25,474 0.717,475 38.617,476 1.016,477 42.467,478 0.607,479 38.559,480 1.015,481 8.692,482 0.229,483 9.825,484 0.259,485 0.095,487 0.382,493 0.799,494 1.614,495 0.759,496 1.284,497 0.564,498 1.048,499 0.861,500 1.077,501 0.872,502 0.94,503 0.528,504 0.909,505 1.028,506 1.237,507 0.969,508 1.05,509 0.762,510 1.003,511 1.22,512 0.857,513 1.081,514 0.823,515 1.336,516 0.899,517 0.969,518 1.133,519 0.97,520 1.001,521 1.04,522 0.987,523 0.824,524 1.077,525 1.032,526 1.019,527 0.724,528 1.043,529 0.684,530 1.176,531 0.962,532 1.092,533 0.483,534 1.069,535 0.609,536 0.882,537 0.996,538 1.082,539 0.504,540 1.102,541 8,542 0.396,543 4.444,544 2.132,545 1.72,546 1.587,547 1.013,548 0.613,549 0.468,550 0.396,551 22601,552 60458,553 2.159,554 45.7,556 21,558 1,559 2,561 4,562 4,564 1.793,565 2.036,566 3.633,567 0.227,573 114.838,574 1.641,575 3.819,576 4.965,577 5.251,578 5.251,579 5.251,580 3.115,581 4.702,582 5.209,583 3.848,584 2704.93,585 9.219,586 44083.3,591 429.05,592 1.36,593 5.187,594 0.186,595 0.009,596 0.072,597 0.033,598 0.029,599 0.026,600 0.016,601 0.01,602 0.008,603 0.008,604 0.396,605 0.33,606 0.63,607 1.065,608 209.054,609 -0.027,610 -0.31,611 0.082,612 -0.146,613 -0.002,614 -0.032,615 0.137,616 0.083,617 0.063,618 0.078,619 0.135,620 0.055,621 -0.103,622 -0.175,623 -0.014,624 -0.046,626 -0.019,627 -0.177,628 0.176,629 -0.087,630 0.115,631 -0.161,632 0.045,633 -0.102,634 -0.067,635 -0.027,636 0.024,637 -0.124,638 0.013,639 -0.056,640 0.038,641 -0.102,642 -0.016,643 -0.086,644 -0.059,645 0.055,646 -0.081,647 -0.035,648 -0.074,649 0.036,650 -0.07,651 0.119,652 0.18,653 -0.065,654 -0.053,655 0.117,656 -0.088,657 1.961,658 4.97,659 0.763,660 49.529,661 1.01,662 1.14,663 2.669,664 7.126,665 0.643,666 3.784,667 4.143,668 4.466,669 4.771,670 5.05,671 5.268,672 5.517,673 5.727,674 5.935,675 6.148,676 7.798,677 0.619,678 520.66,679 3.784,680 5.352,681 6.229,682 7.127,683 8.021,684 8.928,685 9.832,686 10.745,687 11.656,688 12.573,689 11.4,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 70,733 18,734 1,735 43,737 75,738 26,739 11,740 2,741 4,746 6,747 8,751 1,755 7,758 7,761 13,762 13,766 2,771 2,775 2,781 32,782 11,783 2,784 12,790 8,794 0.667,795 4,801 1,803 1,806 1,811 2,812 4,813 1,815 1,837 1,839 1,840 4,844 2,848 38,854 8,855 2,856 2,858 3,859 2,870 5.7,873 2,874 1,875 1,877 18.667,878 13.033,879 8.278,880 4.34,881 3.089,882 1.347,883 0.992,884 7.121,885 11.99,886 3.989,887 4.562,888 5.145,889 5.743,890 6.311,891 6.777,892 7.311,893 7.802,894 8.195,895 8.636,896 1,897 64,898 14.119,900 6.155,901 7.719,902 27.22,904 23.172,905 2.219,906 84.333,910 353.133,911 110.718,912 94.281,914 72.29,917 110.718,918 425.423,919 94.281,920 19.279,921 57.707,922 37.905,923 125.01,924 35.791,925 13.366,926 341.362,928 353.133,929 204.998,930 72.29,933 261.292,934 155.459,935 11,937 70.246,938 82.19,939 50.234,941 353.133,942 166.57,943 110.718,946 353.133,947 44.486,948 74.257,949 36.022,950 122.524,951 353.133,952 166.57,953 110.718,955 0.587,956 0.35,957 0.184,958 0.099,959 32,960 14,961 0.067,962 5,963 3,964 1.172,965 4.75,966 398.147,967 0.207,968 28,969 185.421,974 25.349,975 10.675,976 5.081,977 1.705,978 164.794,979 9.373,980 14.81,984 3.004,985 1.995,986 36.022,987 630.421,988 53,993 23.663,997 -0.571,999 70.727,1000 79.806,1001 0.268,1002 0.623,1003 0.81,1004 0.857,1005 0.857,1006 0.857,1007 5.268,1008 2.044,1009 6.225,1010 6.75,1011 4.828,1012 5.25,1013 2.857,1014 7.066,1015 4.723,1016 6.455,1017 1.879,1018 7.8,1019 5.638,1020 4.443,1021 5.094,1022 2.2,1023 7.997,1024 4.285,1025 7.764,1026 1.586,1027 9.471,1028 5.327,1029 6.457,1030 7.406,1031 3.824,1032 11.111,1033 6.244,1034 9.105,1035 1.488,1036 11.197,1037 4.623,1038 6.889,1039 8.119,1040 3.876,1041 12.87,1042 6.616,1043 10.48,1044 1.336,1045 12.96,1046 4.238,1047 8.36,1048 9.931,1049 5.122,1050 15.507,1051 8.038,1052 11.879,1053 1.072,1054 14.748,1055 3.618,1056 9.164,1057 11.06,1058 5.498,1059 17.628,1060 8.782,1061 13.297,1062 1,1063 16.555,1064 2.865,1065 10.426,1066 12.687,1067 6.553,1068 20.111,1069 9.995,1070 3.295,1071 1,1072 18.378,1073 2.275,1074 11.409,1075 14.023,1076 7.101,1077 22.399,1078 10.918,1079 2.939,1080 11.631,1081 20.213,1082 2.275,1083 12.59,1084 15.581,1085 8.048,1086 24.838,1087 12.05,1088 2.839,1089 9.709,1090 22.059,1091 4.638,1092 13.66,1093 17.017,1094 8.696,1095 27.204,1096 13.063,1097 2.761,1098 8.983,1099 23.914,1100 3.796,1101 14.817,1102 18.552,1103 9.58,1104 29.635,1105 14.168,1106 2.586,1107 8.518,1108 25.777,1109 3.378,1110 15.931,1111 20.037,1112 10.287,1113 32.041,1114 15.227,1115 2.49,1116 8.049,1117 27.646,1118 3.167,1119 17.084,1120 21.565,1121 11.134,1122 34.474,1123 16.328,1124 2.135,1125 7.313,1126 29.522,1127 3.093,1128 18.222,1129 23.073,1130 11.875,1131 36.9,1132 17.412,1133 21090,1134 34611,1135 29.244,1136 45,1137 65.427,1138 67.702,1139 67.457,1140 64.861,1141 64.93,1142 79.235,1143 13.112,1144 192.8,1145 61.573,1146 5.695,1147 5.761,1148 6.457,1149 5.35,1150 5.295,1151 7.638,1152 3.912,1153 19.2,1154 5.124,1155 17.727,1156 1.522,1157 1.574,1158 1.569,1159 1.508,1160 1.51,1161 1.843,1162 0.305,1163 4.484,1164 1.432,1165 4.146,1166 4.197,1167 4.12,1168 3.988,1169 7.434,1170 4.013,1171 3.903,1172 3.952,1173 3.845,1174 3.808,1175 7.43,1176 3.813,1177 3.901,1178 3.937,1179 3.802,1180 3.731,1181 5.135,1182 3.74,1183 3.794,1184 3.846,1185 3.71,1186 3.624,1187 4.753,1188 3.633,1189 3.549,1190 3.617,1191 3.474,1192 3.254,1193 4.67,1194 3.299,1195 3.436,1196 3.471,1197 3.355,1198 3.133,1199 4.522,1200 3.184,1201 3.274,1202 3.352,1203 3.17,1204 3.017,1205 4.48,1206 3.042,1207 3.169,1208 3.251,1209 3.052,1210 2.97,1211 4.206,1212 2.978,1213 0.109,1214 0.087,1215 0.161,1216 0.099,1217 0.077,1218 4.695,1219 0.108,1220 3.761,1221 0.051,1222 6.906,1223 0.27,1224 4.243,1225 0.073,1226 3.295,1227 4.638,1228 2.208,1229 11.631,1230 3.124,1231 1.955,1232 1.923,1233 2.048,1234 2.101,1235 1.409,1236 2.082,1237 1.847,1238 1.797,1239 2.012,1240 2.022,1241 1.255,1242 2.019,1243 1.77,1244 1.724,1245 1.897,1246 1.947,1247 1.219,1248 1.936,1249 1.604,1250 1.543,1251 1.86,1252 1.796,1253 1.105,1254 1.798,1255 1.566,1256 1.522,1257 1.713,1258 1.76,1259 0.882,1260 1.77,1261 1.423,1262 1.349,1263 1.682,1264 1.722,1265 0.825,1266 1.708,1267 1.338,1268 1.29,1269 1.602,1270 1.663,1271 0.688,1272 1.629,1273 1.2,1274 1.123,1275 1.513,1276 1.52,1277 0.63,1278 1.503,1279 4.466,1281 5.814,1282 3.045,1283 7.354,1284 5.416,1285 8.98,1286 7.516,1287 10.654,1289 2.989,1295 6.468,1296 5.333,1297 10.974,1299 0.55,1300 4.04,1305 43.352,1306 114.838,1307 267.344,1308 347.54,1309 367.54,1310 367.54,1311 367.54,1312 65.625,1313 8.901,1314 126.74,1315 126.74,1316 34,1317 13.085,1318 4.248,1319 3.459,1320 52.776,1321 172,1322 214,1323 0.146,1324 259.804,1325 450.9,1326 625.681,1327 93117,1329 26.225,1330 0.69,1331 0.568,1332 26.225,1333 21.592,1334 18.517,1335 0.431,1336 0.305,1337 12.83,1338 17.496,1339 12.597,1340 10.332,1341 18.517,1342 13.098,1343 16.831,1344 0.271,1345 0.162,1346 16.831,1347 10.029,1348 15.022,1349 0.175,1350 0.089,1351 15.022,1352 7.648,1353 12.509,1354 0.107,1355 0.048,1356 12.509,1357 5.654,1358 10.321,1359 0.067,1360 0.026,1361 10.321,1362 4.052,1363 0.228,1364 118.111,1365 0.185,1366 34.145,1367 0.409,1368 210,1369 633.479,1370 239.025,1371 594.606,1372 819.76,1373 560,1374 253,1375 614.369,1376 283.032,1377 611.435,1378 906.51,1379 575,1380 5.744}
{0 CHEMBL568550,1 1.769,2 11.071,3 2.878,4 8.283,5 106.95,6 8.344,7 0.548,8 4.008,9 4.1,10 3.711,11 3.512,12 5.158,13 3.508,14 4.535,15 4.688,16 4.058,17 3.863,18 5.629,19 3.853,20 4.653,21 4.811,22 4.123,23 3.967,24 5.818,25 3.939,26 4.717,27 4.895,28 4.101,29 4.014,30 5.825,31 3.949,32 4.759,33 4.959,34 4.06,35 3.998,36 5.842,37 3.91,38 4.616,39 4.789,40 4,41 3.904,42 5.669,43 3.819,44 4.583,45 4.799,46 3.853,47 3.858,48 5.567,49 3.72,50 4.496,51 4.719,52 3.618,53 3.709,54 5.428,55 3.554,56 0.118,57 0.722,58 9.007,59 4.51,60 9.959,61 5.006,62 0.518,63 1.144,64 20.909,65 7.118,66 28.561,67 7.92,68 0.646,69 1.279,70 21.669,71 7.86,72 42.061,73 9.497,74 0.525,75 1.377,76 24.5,77 8.854,78 39.311,79 10.52,80 0.744,81 1.372,82 30.608,83 9.686,84 57.246,85 11.684,86 0.452,87 1.178,88 23.578,89 8.987,90 32.067,91 10.461,92 0.425,93 1.193,94 27.831,95 9.002,96 33.583,97 10.492,98 0.461,99 1.047,100 32.352,101 9.553,102 29.289,103 11.06,104 14,105 43,106 0.3,107 0.632,108 0.777,109 0.787,110 0.787,111 0.787,112 3.375,113 0.933,114 -1.99,115 -2.04,116 -2.04,119 39.6,124 2,125 4,142 3,143 1,144 3,145 1,146 2,150 1,151 1,161 1,172 2,174 3,175 6,183 1,186 2,187 6,190 2,192 2,195 2,198 1,199 3,204 1,207 2,211 6,212 3,220 1,224 4,227 1,232 2,237 3,242 1,249 3,250 7,266 1,268 1,275 1166,276 19.394,277 19.394,278 19.394,279 19.394,280 19.394,281 17.451,282 18.45,283 11.386,284 20.387,285 15.18,286 15.18,287 15.18,288 15.18,289 15.18,290 12.095,291 23.383,292 5.229,293 16.619,294 3.816,295 1.858,296 1.006,297 0.948,298 0.948,299 0.948,300 4.072,304 1,305 1,306 670,307 2.55,310 75.113,311 277.596,318 1.791,319 28.659,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62,331 310,332 4.477,333 3.326,334 6.486,335 4.059,336 3.108,337 4.195,338 0.86,339 10.115,340 2.962,341 4.312,342 3.15,343 6.295,344 3.888,345 2.968,346 3.96,347 0.86,348 9.564,349 2.724,350 4.053,351 2.917,352 6.112,353 3.683,354 2.771,355 3.565,356 0.86,357 8.924,358 2.532,359 3.74,360 2.566,361 5.901,362 3.43,363 2.477,364 3.044,365 0.8,366 8.183,367 2.342,368 3.355,369 2.555,370 5.19,371 2.972,372 2.061,373 2.604,375 6.118,376 1.867,377 3.238,378 2.291,379 4.708,380 2.825,381 1.925,382 2.474,384 5.126,385 1.722,386 2.918,387 1.828,388 4.405,389 2.524,390 1.612,391 2.024,393 4.25,394 1.461,395 2.68,396 1.659,397 4.01,398 2.229,399 1.307,400 1.74,402 3.15,403 1.199,404 2.42,405 1.453,406 3.525,407 1.952,408 1,409 1.384,411 2.569,412 0.946,413 2.193,414 1.256,415 3.429,416 1.897,417 1,418 1.158,420 2.375,421 0.891,422 2.159,423 1.147,424 3.404,425 1.849,426 0.972,427 1,428 2.136,429 0.841,430 2,431 0.955,432 3.263,433 1.673,434 0.828,435 1,436 1.692,437 0.693,438 1.929,439 0.916,440 3.247,441 1.471,442 0.663,443 0.887,445 1.544,446 0.526,447 1.576,448 0.672,449 2.859,450 1.27,451 0.396,452 0.452,454 0.603,455 0.342,456 1.078,457 0.406,458 2.582,459 0.749,460 -0.135,461 -0.155,463 -0.231,464 -0.117,465 13.267,466 0.474,467 0.568,468 0.02,469 37.5,470 1.339,471 18,472 0.643,473 19.5,474 0.696,475 22.322,476 0.797,477 30.533,478 0.636,479 27.587,480 0.985,481 7.483,482 0.267,483 6.207,484 0.222,485 0.101,487 0.332,493 0.943,494 1.426,495 0.71,496 1.082,497 0.914,498 0.949,499 1.336,500 0.903,501 0.896,502 0.775,503 0.924,504 0.709,505 0.937,506 1.068,507 0.803,508 0.863,509 0.786,510 0.894,511 0.967,512 1.171,513 1.014,514 1.019,515 1.119,516 1.036,517 0.934,518 0.83,519 1.124,520 0.979,521 1.255,522 0.942,523 0.945,524 1.228,525 0.95,526 1.168,527 0.736,528 1.133,529 0.824,530 1.033,531 1.364,532 1.228,533 0.994,534 1.086,535 0.553,536 1.163,537 1.76,538 1.671,539 0.467,540 1.173,541 5,542 0.149,543 3.333,544 1.563,545 1.518,546 1.094,547 0.399,548 0.364,549 0.259,550 0.14,551 10004,552 29967,553 2.115,554 41.7,556 17,557 1,558 1,559 1,564 1.71,565 2,566 3.459,567 -0.252,568 1,569 1,573 84.929,574 1.769,575 3.727,576 4.579,577 4.637,578 4.637,579 4.637,580 2.91,581 4.182,582 4.78,583 3.623,584 1369.45,585 8.307,586 18100,588 1,590 1,591 268.078,592 1.333,593 4.748,594 0.161,595 0.007,596 0.078,597 0.035,598 0.036,599 0.028,600 0.011,601 0.013,602 0.01,603 0.006,604 0.385,605 0.33,606 1,607 0.789,608 140.805,609 -0.092,610 -0.289,611 0.069,612 -0.086,613 -0.091,614 -0.03,615 -0.193,616 0.176,617 0.053,618 0.2,619 -0.07,620 0.199,621 0.07,622 -0.006,623 0.044,624 0.058,625 0.17,626 0.022,627 -0.09,628 -0.091,629 -0.067,630 -0.038,631 -0.115,632 -0.092,633 0.024,634 0.205,635 -0.031,636 0.073,637 -0.089,638 0.038,639 -0.032,640 -0.237,641 0.042,642 -0.12,643 0.023,644 -0.135,645 -0.107,646 0.046,647 -0.103,648 -0.043,649 -0.166,650 -0.054,651 0.158,652 -0.124,653 -0.23,654 -0.293,655 0.166,656 -0.063,657 1.699,658 4.099,659 0.821,660 26.163,661 1.018,662 1.127,663 0.762,664 0.581,665 0.679,666 3.466,667 3.784,668 4.094,669 4.344,670 4.564,671 4.644,672 4.771,673 4.875,674 4.984,675 5.05,676 6.683,677 0.653,678 400.5,679 3.466,680 5.004,681 5.866,682 6.744,683 7.622,684 8.505,685 9.388,686 10.273,687 11.158,688 12.045,689 8.3,695 1,699 3,704 5,705 3,708 1,709 8,711 17,726 1,728 1,729 2,731 48,733 17,734 1,735 31,737 51,738 19,739 13,740 4,741 2,746 4,747 4,761 13,762 6,778 1,781 20,782 8,783 1,784 9,785 1,790 4,794 1,795 4,806 1,811 1,812 3,839 1,840 4,842 1,844 2,848 28,853 1,854 4,856 3,859 1,863 1,870 8.3,872 1,874 1,875 2,877 14,878 9.333,879 6.306,880 2.658,881 3.273,882 1.425,883 0.958,884 5.826,885 10.972,886 3.701,887 4.294,888 4.908,889 5.486,890 5.996,891 6.348,892 6.766,893 7.154,894 7.546,895 7.891,896 1,897 45,898 10.316,900 4.337,901 7.738,902 19.602,904 15.734,905 2.238,906 62.667,909 1,910 223.651,911 133.58,912 53.481,914 75.683,916 31.278,917 102.302,918 299.334,919 53.481,920 21.766,921 13.396,922 36.078,923 116.74,924 53.357,925 13.67,926 231.386,928 223.651,929 155.783,930 75.683,931 31.278,933 223.651,934 64.683,935 11,937 30.786,938 74.641,939 50.357,940 31.278,941 223.651,942 129.164,943 133.58,946 223.651,947 66.688,948 70.016,950 126.04,951 223.651,952 129.164,953 133.58,955 0.574,956 0.354,957 0.194,958 0.103,959 21,960 9,961 0.098,962 5,964 1,965 3.975,966 245.509,968 23,969 122.606,970 1,974 19.21,975 8.492,976 4.034,978 129.164,979 9.008,980 13.767,983 1.495,984 4.421,986 42.683,987 486.395,988 39.5,999 48.862,1000 54.072,1001 0.317,1002 0.667,1003 0.82,1004 0.83,1005 0.83,1006 0.83,1007 4.936,1008 1.307,1009 5.844,1010 4.25,1011 4.466,1012 4.98,1013 1.856,1014 6.661,1015 4.299,1016 6.13,1017 1,1018 7.407,1019 3.15,1020 4.007,1021 4.745,1022 0.325,1023 7.561,1024 3.801,1025 7.435,1026 1,1027 9.07,1028 2.569,1029 6.066,1030 7.167,1031 1.557,1032 10.657,1033 5.769,1034 8.779,1035 0.972,1036 10.791,1037 2.375,1038 6.463,1039 7.786,1040 0.268,1041 12.356,1042 6.112,1043 10.157,1044 0.828,1045 12.549,1046 2.136,1047 7.95,1048 9.644,1049 1.308,1050 14.944,1051 7.532,1052 11.557,1053 0.663,1054 14.33,1055 1.692,1056 8.726,1057 10.651,1058 0.188,1059 16.961,1060 8.247,1061 12.973,1062 0.396,1063 16.127,1064 1.544,1065 9.985,1066 12.273,1067 1.087,1068 19.365,1069 9.449,1070 3.108,1071 -0.135,1072 17.934,1073 0.603,1074 10.937,1075 13.474,1076 0.125,1077 21.521,1078 10.341,1079 2.968,1080 10.115,1081 19.75,1082 -0.231,1083 12.103,1084 14.986,1085 0.89,1086 23.853,1087 11.452,1088 2.771,1089 9.564,1090 21.571,1091 4.195,1092 13.137,1093 16.286,1094 0.082,1095 26.074,1096 12.428,1097 2.477,1098 8.924,1099 23.397,1100 3.96,1101 14.265,1102 17.747,1103 0.718,1104 28.376,1105 13.504,1106 2.061,1107 8.183,1108 25.227,1109 3.565,1110 15.338,1111 19.099,1112 0.054,1113 30.63,1114 14.522,1115 1.925,1116 6.118,1117 27.059,1118 3.044,1119 16.453,1120 20.535,1121 0.571,1122 32.922,1123 15.586,1124 1.612,1125 5.126,1126 28.894,1127 2.604,1128 17.545,1129 21.916,1130 0.035,1131 35.193,1132 16.626,1133 9528,1134 16634,1135 20.978,1136 32.58,1137 46.423,1138 47.206,1139 47.99,1140 46.065,1141 46.177,1142 58.976,1143 6.76,1144 132.694,1145 42.096,1146 5.477,1147 5.326,1148 6.288,1149 5.168,1150 5.108,1151 7.195,1152 1.72,1153 17.036,1154 4.962,1155 12.131,1156 1.498,1157 1.523,1158 1.548,1159 1.486,1160 1.49,1161 1.902,1162 0.218,1163 4.28,1164 1.358,1165 4.02,1166 4.042,1167 4.249,1168 3.967,1169 6.469,1170 3.943,1171 3.881,1172 3.918,1173 3.858,1174 3.748,1175 5.033,1176 3.754,1177 3.724,1178 3.757,1179 3.785,1180 3.584,1181 4.857,1182 3.571,1183 3.549,1184 3.581,1185 3.515,1186 3.409,1187 4.687,1188 3.405,1189 3.303,1190 3.355,1191 3.144,1192 3.006,1193 4.59,1194 3.026,1195 3.158,1196 3.238,1197 3.039,1198 2.941,1199 4.58,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.921,1205 4.111,1206 2.91,1207 2.926,1208 2.983,1209 2.815,1210 2.706,1211 3.909,1212 2.712,1213 0.144,1214 0.107,1215 0.209,1216 0.131,1217 0.1,1218 4.477,1219 0.135,1220 3.326,1221 0.028,1222 6.486,1223 0.326,1224 4.059,1225 0.096,1226 3.108,1227 4.195,1228 0.86,1229 10.115,1230 2.962,1231 1.888,1232 1.88,1233 1.954,1234 2.024,1235 1.198,1236 2.002,1237 1.809,1238 1.763,1239 1.938,1240 1.992,1241 1.089,1242 1.977,1243 1.623,1244 1.575,1245 1.777,1246 1.823,1247 0.843,1248 1.818,1249 1.33,1250 1.318,1251 1.59,1252 1.558,1253 0.825,1254 1.565,1255 1.227,1256 1.163,1257 1.56,1258 1.525,1259 0.589,1260 1.535,1261 1.153,1262 1.116,1263 1.513,1264 1.376,1265 0.584,1266 1.429,1267 1.14,1268 1.064,1269 1.31,1270 1.339,1271 0.486,1272 1.353,1273 1.073,1274 0.994,1275 1.105,1276 1.205,1277 0.273,1278 1.243,1279 4.143,1281 5.46,1282 2.398,1283 6.982,1284 4.595,1285 8.592,1286 6.605,1287 10.246,1289 2.998,1294 10.099,1295 2.915,1297 15.855,1300 2.108,1305 31.346,1306 84.929,1307 178.901,1308 219.814,1309 222.568,1310 222.568,1311 222.568,1312 41.945,1313 7.698,1314 89.83,1315 118.07,1316 23,1317 12.576,1318 4.17,1319 3.248,1320 42.492,1321 114,1322 106,1323 0.185,1324 194.325,1325 331.67,1326 465.914,1327 23853,1329 19.51,1330 0.697,1331 0.586,1332 19.863,1333 16.401,1334 13.69,1335 0.442,1336 0.311,1337 8.628,1338 12.442,1339 8.339,1340 6.879,1341 14.144,1342 9.643,1343 11.845,1344 0.275,1345 0.162,1346 12.396,1347 6.967,1348 10.666,1349 0.181,1350 0.09,1351 11.37,1352 5.3,1353 8.788,1354 0.116,1355 0.049,1356 9.569,1357 3.746,1358 6.96,1359 0.073,1360 0.026,1361 7.575,1362 2.451,1363 0.291,1364 92.336,1365 0.218,1366 26.733,1367 0.504,1368 148,1369 500.797,1370 189.987,1371 486.795,1372 665.16,1373 460,1374 176,1375 469.073,1376 217.248,1377 486.789,1378 716.44,1379 454,1380 5}
{0 CHEMBL570592,1 1.868,2 8.217,3 3.424,4 11.723,5 90.086,6 9.69,7 0.44,8 3.712,9 3.783,10 3.538,11 3.353,12 4.944,13 3.322,14 4.229,15 4.346,16 3.953,17 3.754,18 5.483,19 3.698,20 4.445,21 4.598,22 4.081,23 3.909,24 5.58,25 3.817,26 4.441,27 4.583,28 4.044,29 3.946,30 5.634,31 3.835,32 4.461,33 4.605,34 4.013,35 3.885,36 5.795,37 3.805,38 4.436,39 4.57,40 3.903,41 3.703,42 6.029,43 3.681,44 4.355,45 4.508,46 3.796,47 3.514,48 5.804,49 3.461,50 4.209,51 4.417,52 3.441,53 3.206,54 5.629,55 3.103,56 0.11,57 0.48,58 4.396,59 3.244,60 16.294,61 3.266,62 0.377,63 0.813,64 11.307,65 5.644,66 43.204,67 5.61,68 0.459,69 0.994,70 20.223,71 7.972,72 41.624,73 8.129,74 0.299,75 1.04,76 23.216,77 9.021,78 38.526,79 9.414,80 0.346,81 1.053,82 21.713,83 8.842,84 34.69,85 9.112,86 0.473,87 0.984,88 14.112,89 6.454,90 105.339,91 5.897,92 0.607,93 0.813,94 17.97,95 6.152,96 111.751,97 5.068,98 0.765,99 0.636,100 18.896,101 6.205,102 96.401,103 6.859,104 21,105 35,106 0.337,107 0.703,108 0.773,109 0.793,110 0.793,111 0.793,112 3.19,113 0.984,114 -3.47,115 -3.45,116 -3.3,119 44.4,125 4,142 4,143 3,144 1,152 1,153 1,158 2,167 1,170 1,172 6,175 3,178 1,183 11,184 2,186 1,187 4,192 2,195 9,196 2,198 1,199 5,200 1,204 2,207 5,208 2,211 1,212 8,213 1,215 1,217 2,220 3,221 2,223 1,224 7,227 1,229 2,232 1,236 1,237 1,238 1,245 1,246 1,249 1,250 5,253 1,255 1,263 2,275 710,276 15.56,277 15.56,278 15.56,279 15.56,280 15.56,281 14.013,282 15.948,283 9.168,284 16.124,285 12.271,286 12.271,287 12.271,288 12.271,289 12.271,290 9.785,291 17.209,292 4.243,293 13.266,294 3.302,295 1.278,296 0.889,297 0.778,298 0.778,299 0.778,300 3.867,301 1,303 1,304 1,305 1,306 400,307 2.739,310 63.423,311 147.266,318 1.221,319 30.905,321 1,322 1,323 1,324 1,325 0.6,326 0.5,327 1,328 1,329 0.87,330 50.333,331 189,332 4.693,333 4.096,334 7.045,335 4.284,336 3.332,337 4.434,338 2.035,339 12.126,340 3.181,341 4.007,342 3.623,343 6.222,344 3.652,345 2.718,346 3.568,347 1.437,348 9.145,349 2.523,350 3.836,351 3.209,352 5.665,353 3.432,354 2.486,355 3.125,356 0.86,357 7.286,358 2.338,359 3.59,360 2.956,361 5.247,362 3.162,363 2.222,364 2.809,365 0.8,366 6.311,367 2.057,368 3.402,369 2.76,370 4.943,371 2.892,372 1.977,373 2.393,375 5.604,376 1.74,377 3.04,378 2.318,379 4.298,380 2.39,381 1.515,382 1.841,384 3.697,385 1.305,386 2.654,387 1.963,388 3.974,389 2.107,390 1.179,391 1.641,393 2.873,394 1.058,395 2.5,396 1.659,397 3.527,398 2,399 1,400 1.5,402 2.514,403 1,404 2.455,405 1.256,406 3.414,407 1.952,408 1,409 1.121,411 2.275,412 0.946,413 2.155,414 1.164,415 3.247,416 1.795,417 0.935,418 1,420 2.136,421 0.785,422 2,423 1,424 3.002,425 1.329,426 0.421,427 0.753,428 0.719,429 0.372,430 1.192,431 0.55,432 2.466,433 0.684,434 -0.174,435 -0.232,436 -0.354,437 -0.123,438 0.66,439 0.383,440 2.365,441 0.294,442 -0.613,443 -0.685,445 -1.386,446 -0.536,447 0.517,448 0.002,449 2.15,450 0.055,451 -0.874,452 -1,454 -2,455 -0.708,456 0.5,457 -0.36,458 2,460 -1,461 -1.081,463 -2.135,464 -0.846,465 11.348,466 0.493,467 0.559,468 0.024,469 29.75,470 1.293,471 15,472 0.652,473 14.75,474 0.641,475 18.911,476 0.822,477 24.052,478 0.668,479 21.053,480 0.915,481 5.772,482 0.251,483 5.341,484 0.232,485 0.157,487 0.344,493 0.784,494 1.091,495 0.6,496 0.815,497 0.621,498 0.785,499 0.893,500 0.897,501 0.727,502 0.73,503 0.43,504 0.753,505 0.863,506 0.855,507 0.927,508 0.87,509 0.654,510 0.847,511 0.609,512 1.145,513 1.169,514 1.315,515 0.71,516 1.06,517 0.598,518 1.301,519 0.977,520 1.347,521 0.776,522 1.082,523 1.299,524 1.278,525 0.911,526 1.086,527 1.677,528 1.146,529 1.845,530 0.969,531 0.934,532 0.782,533 2.412,534 1.07,535 0.899,536 0.8,537 0.788,538 0.879,539 1.083,540 1.091,541 4,542 0.025,543 2.667,544 1.979,545 1.928,546 1.098,547 0.589,548 0.343,549 0.122,550 0.062,551 4788,552 18175,553 2.041,554 36.1,556 12,559 1,564 1.667,565 1.89,566 2.994,567 -0.241,569 1,571 1,573 67.257,574 1.868,575 3.892,576 4.281,577 4.392,578 4.392,579 4.392,580 2.496,581 4.089,582 4.492,583 3.116,584 788.409,585 7.788,586 8675.6,587 1,588 1,589 1,590 1,591 186.117,592 1.478,593 4.443,594 0.16,595 0.008,596 0.076,597 0.053,598 0.051,599 0.029,600 0.018,601 0.015,602 0.009,603 0.01,604 0.43,605 0.5,606 1,607 0.942,608 104.673,609 -0.088,610 -0.071,611 0.016,612 0.037,613 -0.027,614 0.028,615 -0.037,616 0.143,617 0.049,618 0.195,619 0.136,620 0.124,621 -0.055,622 0.162,623 0.046,624 0.144,625 -0.02,626 0.125,627 0.022,628 -0.111,629 -0.106,630 -0.157,631 0.013,632 -0.044,633 0.117,634 -0.26,635 -0.067,636 -0.258,637 0.079,638 -0.101,639 -0.176,640 -0.218,641 -0.2,642 -0.259,643 -0.093,644 -0.322,645 -0.398,646 0.001,647 -0.078,648 0.042,649 -0.54,650 -0.205,651 0.405,652 0.016,653 0.182,654 0.007,655 0.179,656 -0.033,657 2.698,658 4.658,659 0.739,660 17.353,661 1.025,662 1.111,663 2.243,664 5.032,665 0.735,666 3.258,667 3.584,668 3.892,669 4.205,670 4.466,671 4.533,672 4.595,673 4.654,674 4.575,675 4.443,676 4.94,677 0.705,678 348.83,679 3.258,680 4.796,681 5.659,682 6.555,683 7.451,684 8.358,685 9.266,686 10.179,687 11.092,688 12.008,689 5.6,695 1,698 1,704 4,708 1,709 6,711 11,713 1,720 1,726 1,730 1,731 36,733 13,734 1,735 25,737 38,738 16,739 10,740 2,741 4,742 1,746 3,747 3,748 1,760 1,761 11,762 4,766 1,771 1,775 1,777 1,778 1,781 13,782 5,783 1,784 7,785 2,790 2,794 1,795 3,811 1,812 2,838 1,839 1,840 3,842 1,845 1,848 23,853 1,854 4,856 1,859 1,861 1,865 1,866 1,868 1,869 1,870 8.3,872 1,873 1,874 1,877 12.167,878 6.576,879 5.167,880 2.108,881 2.165,882 1.317,883 0.957,884 4.859,885 8.988,886 3.541,887 4.09,888 4.706,889 5.33,890 5.859,891 6.2,892 6.466,893 6.816,894 6.987,895 7.011,896 0.833,897 37,898 8.502,900 3.68,901 8.048,902 15.817,904 12.983,905 2.548,906 58.611,910 141.253,911 115.436,912 34.184,913 39.149,914 78.828,916 31.278,917 84.158,918 259.23,919 34.184,921 13.396,922 37.905,923 96.34,924 48.171,925 1.358,926 172.531,927 39.149,928 141.253,929 118.342,930 78.828,931 70.426,933 141.253,934 67.828,935 11,937 45.385,938 72.957,939 39.149,940 31.278,941 141.253,942 113.012,943 154.584,946 141.253,947 60.929,948 41.029,949 16.602,950 149.036,951 141.253,952 113.012,953 154.584,955 0.576,956 0.346,957 0.2,958 0.123,959 17,960 8,961 0.079,962 3,964 1,965 3.363,966 189.819,968 17,969 96.042,970 1,974 16.255,975 6.876,976 3.204,978 113.012,979 6.854,983 1.14,984 2.968,986 42.683,987 408.849,988 33.5,993 11.658,997 -1.032,999 36.887,1000 39.98,1001 0.361,1002 0.753,1003 0.828,1004 0.85,1005 0.85,1006 0.85,1007 4.794,1008 1,1009 5.652,1010 2.873,1011 4.263,1012 4.775,1013 2.763,1014 6.509,1015 4.119,1016 6.007,1017 1,1018 7.238,1019 2.514,1020 3.892,1021 4.605,1022 0.325,1023 7.542,1024 3.677,1025 7.322,1026 0.935,1027 8.93,1028 2.275,1029 5.883,1030 6.96,1031 3.815,1032 10.696,1033 5.635,1034 8.674,1035 0.421,1036 10.688,1037 2.136,1038 6.365,1039 7.674,1040 0.268,1041 12.611,1042 6.059,1043 10.064,1044 -0.174,1045 12.488,1046 0.719,1047 7.836,1048 9.495,1049 5.085,1050 15.305,1051 7.499,1052 11.48,1053 -0.613,1054 14.319,1055 -0.354,1056 8.705,1057 10.613,1058 0.188,1059 17.57,1060 8.319,1061 12.918,1062 -0.874,1063 16.172,1064 -1.386,1065 9.985,1066 12.227,1067 6.439,1068 20.121,1069 9.564,1070 3.332,1071 -1,1072 18.042,1073 -2,1074 11.033,1075 13.539,1076 0.125,1077 22.524,1078 10.566,1079 2.718,1080 12.126,1081 19.926,1082 -2.135,1083 12.246,1084 15.071,1085 7.828,1086 25.032,1087 11.742,1088 2.486,1089 9.145,1090 21.821,1091 4.434,1092 13.376,1093 16.474,1094 0.082,1095 27.489,1096 12.828,1097 2.222,1098 7.286,1099 23.725,1100 3.568,1101 14.571,1102 17.975,1103 9.233,1104 29.984,1105 13.982,1106 1.977,1107 6.311,1108 25.637,1109 3.125,1110 15.737,1111 19.421,1112 0.054,1113 32.463,1114 15.105,1115 1.515,1116 5.604,1117 27.554,1118 2.809,1119 16.929,1120 20.911,1121 10.646,1122 34.956,1123 16.255,1124 1.179,1125 3.697,1126 29.477,1127 2.393,1128 18.113,1129 22.378,1130 0.035,1131 37.444,1132 17.395,1133 4773,1134 9397,1135 16.414,1136 26.449,1137 39.185,1138 41.116,1139 39.572,1140 37.75,1141 37.569,1142 48.372,1143 10.263,1144 109.369,1145 34.609,1146 5.693,1147 6.096,1148 6.847,1149 5.424,1150 5.332,1151 7.434,1152 4.069,1153 19.602,1154 5.181,1155 11.711,1156 1.567,1157 1.645,1158 1.583,1159 1.51,1160 1.503,1161 1.935,1162 0.411,1163 4.375,1164 1.384,1165 4.039,1166 4.047,1167 4.293,1168 4.04,1169 7.475,1170 4,1171 3.804,1172 3.84,1173 3.962,1174 3.747,1175 6.82,1176 3.718,1177 3.651,1178 3.671,1179 3.592,1180 3.476,1181 6.351,1182 3.484,1183 3.285,1184 3.281,1185 3.332,1186 3.038,1187 4.946,1188 3.084,1189 3.111,1190 3.206,1191 3.254,1192 2.941,1193 4.65,1194 2.91,1195 2.943,1196 2.98,1197 3.098,1198 2.819,1199 4.477,1200 2.789,1201 2.882,1202 2.925,1203 2.866,1204 2.735,1205 4.185,1206 2.717,1207 2.854,1208 2.908,1209 2.687,1210 2.698,1211 3.676,1212 2.715,1213 0.188,1214 0.164,1215 0.282,1216 0.171,1217 0.133,1218 4.693,1219 0.177,1220 4.096,1221 0.081,1222 7.045,1223 0.485,1224 4.284,1225 0.127,1226 3.332,1227 4.434,1228 2.035,1229 12.126,1230 3.181,1231 1.919,1232 1.903,1233 1.993,1234 1.983,1235 1.21,1236 1.991,1237 1.725,1238 1.679,1239 1.912,1240 1.941,1241 1.121,1242 1.942,1243 1.49,1244 1.488,1245 1.52,1246 1.617,1247 0.825,1248 1.585,1249 1.352,1250 1.36,1251 1.513,1252 1.498,1253 0.654,1254 1.477,1255 1.153,1256 1.064,1257 1.266,1258 1.376,1259 0.552,1260 1.429,1261 0.886,1262 0.821,1263 1.181,1264 1.114,1265 0.218,1266 1.107,1267 0.813,1268 0.808,1269 1.046,1270 1.062,1271 0.168,1272 1.094,1273 0.775,1274 0.733,1275 0.914,1276 0.988,1278 0.98,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.844,1285 8.398,1286 7.066,1287 10.069,1290 5.901,1294 9.545,1295 2.436,1297 5.326,1300 2.012,1303 9.621,1304 2.181,1305 25.363,1306 67.257,1307 140.117,1308 154.117,1309 158.117,1310 158.117,1311 158.117,1312 46.812,1313 6.822,1314 73.56,1315 101.8,1316 17,1317 12.52,1318 3.807,1319 3.248,1320 36.406,1321 66,1322 75,1323 0.276,1324 163.69,1325 287.45,1326 391.163,1327 6631,1328 2.8,1329 16.397,1330 0.713,1331 0.594,1332 17.251,1333 13.655,1334 11.113,1335 0.445,1336 0.328,1337 7,1338 9.967,1339 6.774,1340 5.52,1341 11.81,1342 8.198,1343 9.875,1344 0.282,1345 0.184,1346 10.872,1347 6.445,1348 8.271,1349 0.172,1350 0.107,1351 9.522,1352 5.117,1353 7.015,1354 0.106,1355 0.058,1356 8.2,1357 3.845,1358 6.054,1359 0.07,1360 0.032,1361 7.205,1362 2.729,1363 0.41,1364 77.021,1365 0.247,1366 21.938,1367 0.834,1368 120,1369 411.975,1370 172.114,1371 444.569,1372 580.74,1373 412,1374 143,1375 368.134,1376 190.347,1377 398.479,1378 587.38,1379 374,1380 6.638}
{0 CHEMBL570635,1 1.564,2 17.488,3 3.652,4 13.336,5 156.244,6 7.23,7 0.478,8 4.453,9 4.583,10 4.006,11 3.926,12 5.493,13 3.92,14 5.027,15 5.218,16 4.379,17 4.326,18 6.038,19 4.304,20 5.268,21 5.483,22 4.397,23 4.465,24 6.232,25 4.404,26 5.301,27 5.559,28 4.341,29 4.445,30 6.244,31 4.36,32 5.218,33 5.449,34 4.348,35 4.41,36 6.22,37 4.347,38 5.179,39 5.394,40 4.37,41 4.439,42 6.172,43 4.386,44 5.208,45 5.411,46 4.345,47 4.491,48 6.206,49 4.404,50 5.304,51 5.564,52 4.145,53 4.461,54 6.187,55 4.311,56 0.058,57 1.208,58 16.826,59 6.526,60 11.772,61 9.136,62 0.499,63 1.914,64 33.233,65 10.622,66 39.985,67 15.37,68 0.67,69 2.257,70 44.019,71 13.453,72 57.873,73 19.828,74 0.584,75 2.278,76 46.473,77 14.277,78 63.191,79 21.781,80 0.581,81 2.11,82 42.309,83 13.201,84 67.158,85 19.621,86 0.521,87 2.176,88 39.398,89 12.045,90 53.579,91 17.994,92 0.614,93 2.237,94 39.675,95 13.611,96 54.807,97 20.115,98 0.577,99 2.196,100 46.259,101 16.705,102 68.232,103 24.505,104 24,105 65,106 0.239,107 0.578,108 0.746,109 0.801,110 0.813,111 0.817,112 3.741,113 0.923,114 -4.71,115 -4.63,116 -4.35,119 39,120 1,121 2,124 2,125 5,127 2,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 12,178 2,179 1,180 4,183 6,186 3,187 9,192 4,195 4,198 5,199 11,204 5,207 2,211 1,212 14,215 1,217 4,220 4,224 11,227 2,229 1,232 7,236 4,237 9,240 1,245 12,249 2,250 2,253 5,255 1,258 12,263 5,266 1,271 8,275 3760,276 28.021,277 28.021,278 28.021,279 28.021,280 28.021,281 25.385,282 37.636,283 16.437,284 28.816,285 22.717,286 22.717,287 22.717,288 22.717,289 22.717,290 18.563,291 50.297,292 7.841,293 24.006,294 4.702,295 2.476,296 1.38,297 1.016,298 0.939,299 0.913,300 4.456,306 1598,307 4.243,310 212.395,311 535.037,312 137.048,314 194.159,318 2.891,319 34.102,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.61,330 89,331 717,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.816,345 2.882,346 3.792,347 0.86,348 9.109,349 2.74,350 4.064,351 3.148,352 6.11,353 3.768,354 2.799,355 3.649,356 0.86,357 8.944,358 2.659,359 3.985,360 2.912,361 5.65,362 3.666,363 2.701,364 3.318,365 0.8,366 7.738,367 2.6,368 3.825,369 2.795,370 5.599,371 3.463,372 2.512,373 3.163,374 0.8,375 7.706,376 2.389,377 3.654,378 2.72,379 5.417,380 3.377,381 2.445,382 2.876,383 0.247,384 7.186,385 2.27,386 3.563,387 2.578,388 5.181,389 3.209,390 2.275,391 2.762,393 6.524,394 2.123,395 3.29,396 2.44,397 5.009,398 3.096,399 2.168,400 2.497,402 5.638,403 2.003,404 3.195,405 2.361,406 4.879,407 2.839,408 1.879,409 2.212,411 5.443,412 1.796,413 2.977,414 2.093,415 4.662,416 2.829,417 1.848,418 2.15,420 5.166,421 1.794,422 2.947,423 1.961,424 4.631,425 2.705,426 1.755,427 2.057,428 4.994,429 1.66,430 2.879,431 1.535,432 4.409,433 2.431,434 1.475,435 1.879,436 4.238,437 1.403,438 2.625,439 1.508,440 4.28,441 2.171,442 1.238,443 1.668,445 3.585,446 1.152,447 2.5,448 1.326,449 3.665,450 2,451 1.086,452 1.5,454 2.306,455 1,456 2.5,457 1,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 19.2,466 0.468,467 0.985,468 0.024,469 52,470 1.268,471 23.5,472 0.573,473 28.5,474 0.695,475 38.715,476 0.944,477 45,478 0.584,479 43.677,480 1.065,481 10.071,482 0.246,483 9.874,484 0.241,485 0.095,487 0.349,493 0.845,494 1.534,495 0.796,496 1.233,497 0.669,498 1.037,499 1.097,500 1.079,501 0.894,502 0.944,503 0.646,504 0.89,505 1.318,506 1.158,507 1.076,508 1.01,509 1.032,510 1.012,511 0.871,512 0.967,513 0.905,514 0.94,515 0.82,516 0.919,517 1.137,518 1.075,519 0.913,520 0.918,521 1.391,522 0.889,523 1.188,524 1.027,525 1.065,526 0.931,527 1.285,528 0.954,529 0.766,530 1.196,531 1.155,532 1.218,533 0.694,534 1.234,535 0.548,536 0.931,537 1.019,538 1.156,539 0.66,540 1.164,541 9,542 0.257,543 3.778,544 2.229,545 1.835,546 1.636,547 0.948,548 0.526,549 0.529,550 0.311,551 33252,552 77649,553 2.147,554 46.8,556 26,558 1,559 2,561 7,564 1.801,565 2.033,566 3.984,567 0.161,573 120.464,574 1.564,575 3.791,576 4.887,577 5.25,578 5.328,579 5.354,580 3.482,581 4.803,582 5.322,583 4.263,584 3495.59,585 9.377,586 65299.4,591 482.543,592 1.325,593 5.3,594 0.196,595 0.007,596 0.058,597 0.035,598 0.031,599 0.026,600 0.015,601 0.009,602 0.011,603 0.008,604 0.396,605 0.17,606 0.63,607 1.063,608 237.974,609 0.002,610 -0.269,611 0.083,612 -0.128,613 -0.027,614 -0.028,615 0.028,616 0.065,617 0.07,618 0.055,619 0.123,620 0.067,621 -0.131,622 -0.107,623 -0.087,624 -0.024,625 -0.064,626 -0.051,627 0.015,628 0.046,629 0.078,630 0.026,631 0.081,632 0.059,633 -0.055,634 -0.06,635 0.074,636 0.077,637 -0.046,638 0.091,639 -0.185,640 0.095,641 -0.101,642 0.049,643 -0.152,644 0.003,645 0.068,646 -0.073,647 -0.226,648 -0.188,649 0.004,650 -0.241,651 0.13,652 0.037,653 -0.07,654 -0.126,655 0.066,656 -0.131,657 1.993,658 5.625,659 0.707,660 60.438,661 1.002,662 1.135,663 3.484,664 12.137,665 0.65,666 3.85,667 4.19,668 4.466,669 4.771,670 5.024,671 5.198,672 5.394,673 5.557,674 5.72,675 5.872,676 10.084,677 0.619,678 556.74,679 3.85,680 5.407,681 6.263,682 7.151,683 8.026,684 8.921,685 9.807,686 10.707,687 11.602,688 12.506,689 10.4,692 1,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,729 1,731 77,733 23,734 2,735 46,737 82,738 30,739 17,740 4,741 8,746 6,747 8,751 1,752 1,755 4,758 4,761 18,762 12,766 1,771 1,775 1,781 36,782 10,783 2,784 11,790 8,794 0.667,795 3,801 1,803 1,806 1,811 2,812 4,813 1,815 1,836 1,839 1,840 4,844 3,848 41,854 7,855 2,856 2,858 2,859 2,870 3.9,873 1,874 1,875 1,877 20.167,878 14.617,879 8.889,880 4.783,881 4.175,882 1.459,883 0.997,884 8.282,885 13.276,886 4.078,887 4.666,888 5.241,889 5.856,890 6.413,891 6.791,892 7.277,893 7.725,894 8.066,895 8.475,896 1,897 64,898 15.195,900 6.483,901 7.602,902 29.469,904 24.507,905 2.102,906 86.167,910 400.217,911 155.722,912 94.281,914 47.145,917 155.722,918 447.362,919 94.281,920 25.618,921 54.106,922 75.81,923 99.865,924 46.916,925 6.604,926 388.446,928 400.217,929 250.003,930 47.145,933 320.148,934 118.543,935 11,937 78.595,938 118.846,939 50.234,941 400.217,942 141.425,943 155.722,946 400.217,947 45.247,948 118.501,949 36.022,950 97.379,951 400.217,952 141.425,953 155.722,955 0.582,956 0.33,957 0.18,958 0.099,959 32,960 14,961 0.11,962 9,963 3,964 1.172,965 5.206,966 414.433,967 0.207,968 28,969 203.66,974 27.764,975 12.231,976 6.426,977 1.78,978 139.649,979 16.763,980 14.455,984 4.506,985 1.905,986 36.022,987 697.365,988 58,993 12.625,997 -0.326,999 77.167,1000 87.427,1001 0.25,1002 0.605,1003 0.78,1004 0.838,1005 0.85,1006 0.854,1007 5.335,1008 2.168,1009 6.248,1010 6.524,1011 4.875,1012 5.354,1013 2.368,1014 7.054,1015 4.769,1016 6.525,1017 1.879,1018 7.798,1019 5.638,1020 4.443,1021 5.147,1022 1.404,1023 7.908,1024 4.28,1025 7.825,1026 1.848,1027 9.441,1028 5.443,1029 6.466,1030 7.525,1031 2.66,1032 11.009,1033 6.255,1034 9.157,1035 1.755,1036 11.14,1037 5.166,1038 6.836,1039 8.171,1040 2.382,1041 12.71,1042 6.566,1043 10.522,1044 1.475,1045 12.877,1046 4.994,1047 8.321,1048 10.037,1049 3.324,1050 15.336,1051 8.008,1052 11.911,1053 1.238,1054 14.64,1055 4.238,1056 9.075,1057 11.109,1058 3.421,1059 17.424,1060 8.703,1061 13.32,1062 1.086,1063 16.426,1064 3.585,1065 10.342,1066 12.764,1067 4.179,1068 19.895,1069 9.926,1070 3.264,1071 1,1072 18.229,1073 2.306,1074 11.291,1075 14.059,1076 4.467,1077 22.164,1078 10.817,1079 2.882,1080 11.414,1081 20.046,1082 2.275,1083 12.47,1084 15.626,1085 5.118,1086 24.59,1087 11.95,1088 2.799,1089 9.109,1090 21.877,1091 4.627,1092 13.518,1093 17.036,1094 5.504,1095 26.943,1096 12.941,1097 2.701,1098 8.944,1099 23.718,1100 3.792,1101 14.669,1102 18.57,1103 6.093,1104 29.361,1105 14.043,1106 2.512,1107 7.738,1108 25.569,1109 3.649,1110 15.769,1111 20.038,1112 6.531,1113 31.753,1114 15.087,1115 2.445,1116 7.706,1117 27.429,1118 3.318,1119 16.914,1120 21.562,1121 7.084,1122 34.173,1123 16.181,1124 2.275,1125 7.186,1126 29.296,1127 3.163,1128 18.042,1129 23.06,1130 7.551,1131 36.585,1132 17.253,1133 30753,1134 47210,1135 31.323,1136 50.069,1137 69.352,1138 70.171,1139 70.367,1140 68.897,1141 68.858,1142 86.489,1143 10.446,1144 198.94,1145 65.249,1146 5.675,1147 5.562,1148 6.402,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 18.808,1156 1.508,1157 1.525,1158 1.53,1159 1.498,1160 1.497,1161 1.88,1162 0.227,1163 4.325,1164 1.418,1165 4.134,1166 4.184,1167 4.109,1168 3.979,1169 7.431,1170 4.003,1171 3.936,1172 3.97,1173 3.882,1174 3.83,1175 5.137,1176 3.838,1177 3.899,1178 3.941,1179 3.818,1180 3.795,1181 4.859,1182 3.798,1183 3.865,1184 3.899,1185 3.789,1186 3.715,1187 4.751,1188 3.726,1189 3.662,1190 3.746,1191 3.52,1192 3.432,1193 4.67,1194 3.441,1195 3.495,1196 3.566,1197 3.418,1198 3.283,1199 4.486,1200 3.291,1201 3.411,1202 3.462,1203 3.312,1204 3.155,1205 4.412,1206 3.194,1207 3.217,1208 3.3,1209 3.069,1210 2.991,1211 4.221,1212 2.998,1213 0.102,1214 0.077,1215 0.149,1216 0.092,1217 0.071,1218 4.675,1219 0.101,1220 3.562,1221 0.036,1222 6.845,1223 0.248,1224 4.211,1225 0.067,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.03,1234 2.085,1235 1.255,1236 2.066,1237 1.882,1238 1.858,1239 1.989,1240 2.01,1241 1.224,1242 2.002,1243 1.791,1244 1.754,1245 1.907,1246 1.94,1247 1.116,1248 1.936,1249 1.62,1250 1.557,1251 1.873,1252 1.876,1253 1.109,1254 1.876,1255 1.612,1256 1.543,1257 1.86,1258 1.865,1259 1.045,1260 1.863,1261 1.604,1262 1.531,1263 1.849,1264 1.76,1265 1.037,1266 1.798,1267 1.509,1268 1.444,1269 1.681,1270 1.72,1271 0.835,1272 1.71,1273 1.285,1274 1.239,1275 1.56,1276 1.58,1277 0.696,1278 1.549,1279 4.533,1281 5.866,1282 3.045,1283 7.381,1284 5.416,1285 8.981,1286 7.506,1287 10.633,1289 6.066,1295 5.99,1296 5.75,1297 11.771,1299 0.499,1300 4.385,1305 47.691,1306 120.464,1307 291.917,1308 376.278,1309 404.278,1310 410.278,1311 412.278,1312 65.694,1313 9.101,1314 109.67,1315 109.67,1316 34,1317 13.027,1318 4.585,1319 3.7,1320 59.919,1321 248,1322 297,1323 0.115,1324 288.322,1325 495.13,1326 695.266,1327 146057,1329 28.346,1330 0.691,1331 0.578,1332 28.346,1333 23.709,1334 19.945,1335 0.434,1336 0.308,1337 13.897,1338 18.99,1339 13.558,1340 11.212,1341 19.945,1342 14.149,1343 18.314,1344 0.282,1345 0.166,1346 18.314,1347 10.763,1348 15.168,1349 0.176,1350 0.087,1351 15.168,1352 7.439,1353 13.096,1354 0.112,1355 0.045,1356 13.096,1357 5.306,1358 10.579,1359 0.07,1360 0.024,1361 10.579,1362 3.604,1363 0.188,1364 125.991,1365 0.179,1366 37.45,1367 0.295,1368 222,1369 625.743,1370 248.478,1371 597.061,1372 832.52,1373 564,1374 262,1375 631.726,1376 289.926,1377 633.044,1378 932.2,1379 596,1380 6.866}
{0 CHEMBL570833,1 1.724,2 17.778,3 4.308,4 18.555,5 162.942,6 7.87,7 0.431,8 4.502,9 4.63,10 4.116,11 3.968,12 5.581,13 3.982,14 5.107,15 5.29,16 4.564,17 4.393,18 6.464,19 4.395,20 5.367,21 5.587,22 4.525,23 4.558,24 6.402,25 4.506,26 5.394,27 5.645,28 4.501,29 4.552,30 6.445,31 4.476,32 5.342,33 5.583,34 4.544,35 4.498,36 6.492,37 4.453,38 5.266,39 5.487,40 4.487,41 4.468,42 6.357,43 4.438,44 5.24,45 5.442,46 4.518,47 4.474,48 6.417,49 4.429,50 5.315,51 5.556,52 4.421,53 4.444,54 6.435,55 4.375,56 0.191,57 1.474,58 15.18,59 6.692,60 24.531,61 8.649,62 1.24,63 2.681,64 33.734,65 11.105,66 161.747,67 14.961,68 1.279,69 2.692,70 47.149,71 14.573,72 100.155,73 20.526,74 1.036,75 2.692,76 49.52,77 16.01,78 96.525,79 23.742,80 1.025,81 2.694,82 47.519,83 15.304,84 108.301,85 21.974,86 0.937,87 2.573,88 42.036,89 13.07,90 88.424,91 17.999,92 1.093,93 2.63,94 39.002,95 13.371,96 74.504,97 18.798,98 0.895,99 2.678,100 45.835,101 16.202,102 95.389,103 21.889,104 28,105 75,106 0.261,107 0.576,108 0.705,109 0.788,110 0.81,111 0.814,112 3.832,113 0.888,114 -5.18,115 -5.08,116 -4.75,119 39.2,121 2,124 1,125 7,127 2,132 1,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 11,178 2,179 1,180 4,183 6,186 3,187 8,192 4,195 4,198 5,199 10,204 5,207 1,211 1,212 14,215 1,217 4,220 4,224 9,227 2,229 1,232 6,236 4,237 9,240 1,245 10,249 2,250 2,253 5,255 1,258 10,263 4,266 1,271 6,275 4827,276 30.201,277 30.201,278 30.201,279 30.201,280 30.201,281 27.589,282 41.78,283 17.39,284 31.197,285 25.266,286 25.266,287 25.266,288 25.266,289 25.266,290 21.181,291 60.245,292 8.408,293 27.033,294 4.58,295 2.503,296 1.65,297 1.102,298 0.956,299 0.931,300 4.55,306 1801,307 4.359,310 232.849,311 761.457,312 150.656,314 212.921,318 2.879,319 60.18,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 101,331 800,332 4.682,333 4.269,334 6.86,335 4.228,336 3.294,337 4.629,338 3.02,339 11.474,340 3.099,341 4.2,342 3.562,343 6.462,344 3.936,345 3.1,346 3.794,347 1.656,348 10.198,349 2.753,350 4.155,351 3.396,352 6.148,353 3.84,354 2.892,355 3.7,356 0.86,357 9.075,358 2.729,359 4.114,360 3.141,361 6.12,362 3.806,363 2.868,364 3.363,365 0.8,366 9.031,367 2.679,368 3.932,369 3.135,370 6.086,371 3.721,372 2.773,373 3.182,374 0.8,375 8.878,376 2.502,377 3.867,378 2.791,379 5.638,380 3.565,381 2.609,382 3.032,383 0.8,384 7.686,385 2.455,386 3.694,387 2.702,388 5.562,389 3.364,390 2.429,391 2.99,392 0.247,393 7.61,394 2.291,395 3.612,396 2.661,397 5.319,398 3.324,399 2.391,400 2.744,402 6.91,403 2.175,404 3.407,405 2.47,406 5.039,407 3.182,408 2.247,409 2.574,411 6.081,412 2.098,413 3.269,414 2.385,415 4.984,416 2.887,417 1.9,418 2.359,420 5.638,421 1.86,422 2.958,423 2.093,424 4.879,425 2.839,426 1.879,427 2.151,428 5.395,429 1.794,430 2.912,431 1.917,432 4.68,433 2.629,434 1.69,435 1.994,436 5.106,437 1.575,438 2.879,439 1.631,440 4.419,441 2.441,442 1.491,443 1.879,445 4.274,446 1.412,447 2.623,448 1.535,449 4.278,450 2.348,451 1.391,452 1.666,454 3.906,455 1.325,456 2.608,457 1.292,458 4.263,459 2.137,460 1.203,461 1.62,463 3.569,464 1.119,465 20.624,466 0.458,467 1.352,468 0.03,469 55.5,470 1.233,471 23.5,472 0.522,473 32,474 0.711,475 44.722,476 0.994,477 50.176,478 0.635,479 51.1,480 1.136,481 10.826,482 0.241,483 10.838,484 0.241,485 0.082,486 0.024,487 0.344,490 3,493 0.66,494 1.285,495 0.692,496 1.202,497 0.554,498 1.004,499 0.661,500 0.893,501 0.808,502 0.948,503 0.372,504 0.913,505 0.913,506 0.855,507 1.066,508 0.963,509 0.739,510 1.038,511 0.509,512 0.793,513 0.835,514 1.01,515 0.443,516 1.01,517 0.682,518 0.924,519 0.732,520 0.954,521 0.717,522 0.88,523 0.979,524 0.952,525 0.991,526 0.93,527 0.882,528 0.939,529 0.618,530 0.936,531 0.963,532 1.154,533 0.612,534 1.159,535 0.744,536 1.039,537 0.887,538 1.153,539 0.772,540 1.086,541 11.5,542 0.441,543 4.667,544 2.729,545 2.247,546 2.091,547 1.151,548 0.863,549 0.665,550 0.514,551 42955,552 116506,553 2.153,554 43,556 27,558 1,559 2,561 4,564 1.824,565 2.022,566 3.985,567 0.182,573 136.161,574 1.724,575 3.801,576 4.654,577 5.202,578 5.348,579 5.373,580 3.432,581 4.986,582 5.46,583 4.289,584 4246.1,585 9.659,586 83947.6,591 497.999,592 1.486,593 5.424,594 0.225,595 0.009,596 0.062,597 0.038,598 0.033,599 0.029,600 0.016,601 0.013,602 0.011,603 0.01,604 0.445,605 0.17,606 0.63,607 0.718,608 267.053,609 -0.034,610 -0.216,611 0.064,612 -0.114,613 -0.056,614 -0.022,615 0.239,616 0.16,617 0.079,618 0.044,619 0.371,620 0.025,621 -0.076,622 0.055,623 -0.141,624 0.012,625 -0.061,626 -0.068,627 0.104,628 0.014,629 0.088,630 -0.034,631 0.097,632 0.008,633 0.091,634 -0.064,635 0.218,636 0.041,637 0.081,638 0.137,639 -0.146,640 -0.013,641 -0.066,642 0.039,643 -0.094,644 0.025,645 0.169,646 0.043,647 -0.072,648 -0.149,649 0.06,650 -0.181,651 0.07,652 -0.117,653 0.07,654 -0.135,655 0.052,656 -0.057,657 5.706,658 5.726,659 0.778,660 68.13,661 1.019,662 1.149,663 3.955,664 15.64,665 0.651,666 3.951,667 4.331,668 4.585,669 4.905,670 5.176,671 5.342,672 5.557,673 5.724,674 5.894,675 6.068,676 10.352,677 0.635,678 621.74,679 3.951,680 5.533,681 6.392,682 7.295,683 8.17,684 9.076,685 9.962,686 10.869,687 11.763,688 12.672,689 11.4,692 1,695 2,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 2,731 79,733 23,734 2,735 51,737 85,738 31,739 17,740 4,741 8,746 7,747 9,751 1,752 1,755 4,757 1,758 4,761 18,762 13,766 1,771 1,775 1,779 3,781 34,782 13,783 2,784 14,790 9,794 0.714,795 2,801 1,803 1,806 1,811 2,812 5,813 1,815 1,836 1,839 1,840 5,844 1,846 3,848 45,854 9,855 2,856 1,858 2,859 3,860 1,869 3,870 2.5,873 1,874 1,877 22.25,878 14.329,879 9.375,880 4.79,881 4.252,882 1.446,883 1.022,884 8.232,885 13.792,886 4.159,887 4.756,888 5.303,889 5.921,890 6.483,891 6.876,892 7.38,893 7.825,894 8.177,895 8.593,896 1,897 72,898 17.217,900 8.031,901 7.92,902 31.816,904 27.205,905 2.42,906 108.917,910 376.675,911 145.498,912 97.405,914 36.145,915 44.88,917 145.498,918 412.82,919 142.285,920 8.396,921 55.83,922 75.81,923 99.865,924 81.434,925 6.604,926 364.904,927 7.76,928 376.675,929 242.903,930 81.025,933 331.919,934 117.11,935 11,937 79.254,938 111.088,939 50.234,941 421.556,942 133.55,943 145.498,946 384.435,947 44.485,948 104.403,949 36.022,950 131.259,951 376.675,952 178.43,953 145.498,955 0.597,956 0.327,957 0.179,958 0.102,959 39,960 17,961 0.071,962 6,963 3,964 1.143,965 5.453,966 484.569,967 0.171,968 34,969 224.379,974 30.09,975 12.311,976 6.835,977 0.585,978 176.654,979 16.06,980 13.342,984 3.748,985 0.872,986 36.022,987 700.604,988 63,993 12.726,997 -0.395,999 80.479,1000 90.735,1001 0.273,1002 0.603,1003 0.738,1004 0.825,1005 0.848,1006 0.852,1007 5.449,1008 2.391,1009 6.412,1010 7.61,1011 5.017,1012 5.445,1013 3.171,1014 7.248,1015 4.888,1016 6.656,1017 2.247,1018 7.984,1019 6.91,1020 4.745,1021 5.308,1022 3.223,1023 8.252,1024 4.478,1025 7.971,1026 1.9,1027 9.653,1028 6.081,1029 6.673,1030 7.604,1031 4.675,1032 11.282,1033 6.4,1034 9.314,1035 1.879,1036 11.376,1037 5.638,1038 7.163,1039 8.274,1040 5.508,1041 13.067,1042 6.751,1043 10.687,1044 1.69,1045 13.135,1046 5.395,1047 8.6,1048 10.1,1049 6.697,1050 15.656,1051 8.169,1052 12.082,1053 1.491,1054 14.918,1055 5.106,1056 9.431,1057 11.175,1058 7.735,1059 17.774,1060 8.88,1061 13.494,1062 1.391,1063 16.72,1064 4.274,1065 10.679,1066 12.811,1067 8.859,1068 20.222,1069 10.091,1070 3.294,1071 1.203,1072 18.536,1073 3.906,1074 11.673,1075 14.102,1076 9.948,1077 22.492,1078 10.984,1079 3.1,1080 11.474,1081 20.364,1082 3.569,1083 12.848,1084 15.659,1085 11.057,1086 24.899,1087 12.109,1088 2.892,1089 10.198,1090 22.201,1091 4.629,1092 13.921,1093 17.065,1094 12.158,1095 27.241,1096 13.096,1097 2.868,1098 9.075,1099 24.047,1100 3.794,1101 15.072,1102 18.594,1103 13.264,1104 29.641,1105 14.19,1106 2.773,1107 9.031,1108 25.901,1109 3.7,1110 16.184,1111 20.059,1112 14.368,1113 32.02,1114 15.227,1115 2.609,1116 8.878,1117 27.76,1118 3.363,1119 17.331,1120 21.58,1121 15.474,1122 34.426,1123 16.315,1124 2.429,1125 7.686,1126 29.625,1127 3.182,1128 18.465,1129 23.076,1130 16.579,1131 36.825,1132 17.381,1133 38968,1134 64735,1135 34.501,1136 51.432,1137 78.599,1138 78.758,1139 78.652,1140 77.949,1141 77.677,1142 95.297,1143 16.366,1144 231.933,1145 72.771,1146 5.682,1147 6.269,1148 6.274,1149 5.335,1150 5.294,1151 7.629,1152 4.53,1153 18.955,1154 5.099,1155 21.793,1156 1.541,1157 1.544,1158 1.542,1159 1.528,1160 1.523,1161 1.869,1162 0.321,1163 4.548,1164 1.427,1165 4.137,1166 4.187,1167 4.115,1168 3.98,1169 8.513,1170 4.005,1171 3.97,1172 4.018,1173 3.909,1174 3.858,1175 7.999,1176 3.864,1177 3.901,1178 3.942,1179 3.829,1180 3.798,1181 7.999,1182 3.802,1183 3.876,1184 3.918,1185 3.795,1186 3.715,1187 7.431,1188 3.727,1189 3.744,1190 3.809,1191 3.633,1192 3.559,1193 5.133,1194 3.566,1195 3.557,1196 3.612,1197 3.542,1198 3.277,1199 4.776,1200 3.324,1201 3.423,1202 3.471,1203 3.377,1204 3.152,1205 4.736,1206 3.201,1207 3.247,1208 3.328,1209 3.189,1210 2.983,1211 4.67,1212 3.011,1213 0.092,1214 0.084,1215 0.135,1216 0.083,1217 0.065,1218 4.682,1219 0.091,1220 4.269,1221 0.059,1222 6.86,1223 0.225,1224 4.228,1225 0.061,1226 3.294,1227 4.629,1228 3.02,1229 11.474,1230 3.099,1231 1.952,1232 1.922,1233 2.049,1234 2.087,1235 1.304,1236 2.071,1237 1.919,1238 1.883,1239 2.025,1240 2.064,1241 1.255,1242 2.057,1243 1.791,1244 1.754,1245 1.911,1246 1.955,1247 1.223,1248 1.945,1249 1.708,1250 1.638,1251 1.899,1252 1.898,1253 1.109,1254 1.904,1255 1.604,1256 1.55,1257 1.86,1258 1.877,1259 1.049,1260 1.837,1261 1.604,1262 1.543,1263 1.748,1264 1.76,1265 0.972,1266 1.798,1267 1.481,1268 1.421,1269 1.624,1270 1.722,1271 0.825,1272 1.694,1273 1.282,1274 1.233,1275 1.542,1276 1.572,1277 0.782,1278 1.541,1279 4.635,1281 5.999,1282 3.045,1283 7.535,1284 5.416,1285 9.15,1286 7.506,1287 10.809,1289 2.118,1291 40.065,1295 5.792,1296 5.677,1297 5.965,1299 0.127,1300 6.691,1301 -4.456,1305 50.147,1306 136.161,1307 300.266,1308 367.676,1309 410.979,1310 422.489,1311 424.489,1312 87.474,1313 9.54,1314 103.68,1315 103.68,1316 40,1317 13.191,1318 4.585,1319 3.7,1320 62.612,1321 279,1322 335,1323 0.106,1324 296.914,1325 520.49,1326 716.229,1327 248692,1328 3.8,1329 31.131,1330 0.692,1331 0.551,1332 28.631,1333 24.796,1334 21.664,1335 0.425,1336 0.296,1337 14.776,1338 20.46,1339 14.571,1340 11.875,1341 20.518,1342 15.095,1343 21.26,1344 0.283,1345 0.158,1346 18.903,1347 11.882,1348 16.776,1349 0.173,1350 0.088,1351 16.426,1352 8.543,1353 14.711,1354 0.11,1355 0.046,1356 14.178,1357 6.2,1358 12.253,1359 0.07,1360 0.025,1361 11.687,1362 4.383,1363 0.172,1364 138.136,1365 0.17,1366 40.123,1367 0.274,1368 252,1369 889.986,1370 294.699,1371 771.719,1372 1038.62,1373 722,1374 298,1375 760.44,1376 335.288,1377 741.758,1378 1110.59,1379 699,1380 6.824}
{0 CHEMBL570870,1 1.522,2 17.524,3 3.83,4 14.672,5 164.209,6 7.034,7 0.468,8 4.495,9 4.634,10 4.025,11 3.967,12 5.514,13 3.952,14 5.073,15 5.279,16 4.401,17 4.375,18 6.048,19 4.343,20 5.315,21 5.537,22 4.434,23 4.54,24 6.251,25 4.466,26 5.396,27 5.662,28 4.389,29 4.546,30 6.303,31 4.443,32 5.337,33 5.591,34 4.395,35 4.514,36 6.283,37 4.429,38 5.287,39 5.515,40 4.399,41 4.523,42 6.245,43 4.448,44 5.316,45 5.55,46 4.359,47 4.544,48 6.239,49 4.442,50 5.341,51 5.604,52 4.186,53 4.494,54 6.233,55 4.344,56 0.058,57 1.287,58 18.297,59 6.717,60 13.018,61 9.86,62 0.506,63 2.04,64 35.601,65 10.821,66 38.992,67 16.523,68 0.575,69 2.436,70 46.206,71 14.208,72 53.344,73 21.674,74 0.555,75 2.516,76 51.105,77 15.821,78 64.702,79 24.765,80 0.531,81 2.371,82 48.131,83 14.843,84 66.853,85 22.986,86 0.506,87 2.38,88 44.783,89 13.756,90 58.157,91 21.111,92 0.61,93 2.397,94 46.08,95 15.078,96 53.465,97 23.017,98 0.558,99 2.268,100 48.147,101 17.11,102 70.046,103 25.403,104 33,105 67,106 0.23,107 0.547,108 0.712,109 0.793,110 0.815,111 0.818,112 3.765,113 0.935,114 -4.9,115 -4.81,116 -4.51,119 38.3,120 1,121 2,124 3,125 5,127 2,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 12,178 2,179 1,180 4,183 6,186 3,187 9,192 4,195 4,198 5,199 11,204 5,207 2,211 1,212 14,215 1,217 4,220 4,224 11,227 2,229 1,232 7,236 4,237 9,240 1,245 12,249 2,250 2,253 5,255 1,258 12,263 5,266 1,271 8,275 3904,276 28.521,277 28.521,278 28.521,279 28.521,280 28.521,281 25.909,282 40.066,283 16.59,284 29.287,285 23.178,286 23.178,287 23.178,288 23.178,289 23.178,290 19.048,291 55.974,292 7.886,293 24.417,294 4.818,295 2.719,296 1.63,297 1.093,298 0.951,299 0.926,300 4.477,306 1635,307 4.472,310 220.07,311 553.133,312 141.862,314 201.421,318 2.855,319 31.099,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.61,330 90.5,331 736,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.176,342 3.399,343 6.152,344 3.818,345 2.882,346 3.793,347 0.86,348 9.109,349 2.744,350 4.131,351 3.148,352 6.11,353 3.794,354 2.839,355 3.695,356 0.8,357 8.944,358 2.703,359 3.986,360 3.048,361 6.031,362 3.757,363 2.788,364 3.319,365 0.8,366 8.601,367 2.658,368 3.858,369 2.795,370 5.65,371 3.547,372 2.592,373 3.171,374 0.8,375 7.726,376 2.467,377 3.683,378 2.72,379 5.557,380 3.387,381 2.458,382 2.968,383 0.247,384 7.588,385 2.284,386 3.625,387 2.573,388 5.31,389 3.305,390 2.349,391 2.763,393 6.872,394 2.238,395 3.344,396 2.469,397 5.009,398 3.101,399 2.181,400 2.548,402 5.638,403 2.007,404 3.195,405 2.386,406 4.879,407 2.887,408 1.9,409 2.22,411 5.444,412 1.859,413 2.977,414 2.093,415 4.703,416 2.839,417 1.879,418 2.152,420 5.244,421 1.794,422 2.948,423 1.961,424 4.644,425 2.706,426 1.757,427 2.057,428 5.04,429 1.66,430 2.879,431 1.6,432 4.414,433 2.439,434 1.487,435 1.879,436 4.255,437 1.411,438 2.626,439 1.535,440 4.28,441 2.326,442 1.369,443 1.67,445 3.595,446 1.304,447 2.583,448 1.326,449 4.086,450 2.17,451 1.236,452 1.591,454 3.551,455 1.152,456 2.5,457 1,458 3.664,459 2,460 1,461 1.5,463 2.275,464 1,465 19.767,466 0.471,467 1.074,468 0.026,469 52.75,470 1.256,471 23.5,472 0.56,473 29.25,474 0.696,475 41.144,476 0.98,477 46.233,478 0.571,479 45.057,480 1.073,481 10.197,482 0.243,483 10.159,484 0.242,485 0.118,487 0.359,493 0.85,494 1.596,495 0.826,496 1.249,497 0.667,498 1.063,499 1.094,500 1.061,501 0.892,502 0.893,503 0.602,504 0.859,505 1.275,506 1.182,507 1.082,508 1.048,509 0.987,510 1.044,511 0.81,512 1.01,513 0.919,514 0.979,515 0.786,516 0.957,517 1.02,518 1.015,519 0.888,520 0.909,521 1.262,522 0.88,523 1.208,524 1.069,525 1.086,526 1.008,527 1.268,528 1.018,529 0.853,530 1.07,531 1.081,532 1.102,533 0.743,534 1.114,535 0.61,536 0.951,537 1.015,538 1.16,539 0.756,540 1.149,541 9.5,542 0.29,543 4.444,544 2.479,545 2.035,546 1.754,547 0.948,548 0.589,549 0.529,550 0.351,551 35213,552 77790,553 2.129,554 48.1,556 29,558 1,559 2,561 7,564 1.806,565 2,566 3.999,567 0.149,573 123.288,574 1.522,575 3.621,576 4.71,577 5.247,578 5.389,579 5.414,580 3.476,581 4.898,582 5.36,583 4.276,584 3681.23,585 9.448,586 70032.1,591 513.528,592 1.385,593 5.328,594 0.202,595 0.008,596 0.066,597 0.037,598 0.032,599 0.027,600 0.015,601 0.01,602 0.011,603 0.009,604 0.416,605 0.17,606 0.63,607 1.088,608 245.458,609 0.021,610 -0.31,611 0.086,612 -0.134,613 -0.024,614 -0.034,615 0.053,616 0.1,617 0.091,618 0.103,619 0.143,620 0.104,621 -0.125,622 -0.101,623 -0.095,624 -0.047,625 -0.05,626 -0.069,627 0.04,628 0.003,629 0.059,630 -0.002,631 0.083,632 0.028,633 -0.022,634 -0.005,635 0.099,636 0.081,638 0.106,639 -0.161,640 0.027,641 -0.107,642 -0.013,643 -0.137,644 -0.043,645 0.043,646 0.001,647 -0.119,648 -0.086,649 -0.029,650 -0.117,651 0.149,652 0.019,653 -0.058,654 -0.128,655 0.094,656 -0.123,657 1.967,658 5.71,659 0.69,660 61.041,661 0.998,662 1.137,663 3.674,664 13.498,665 0.647,666 3.871,667 4.22,668 4.5,669 4.796,670 5.05,671 5.22,672 5.412,673 5.572,674 5.727,675 5.883,676 10.207,677 0.611,678 569.79,679 3.871,680 5.434,681 6.293,682 7.183,683 8.061,684 8.957,685 9.845,686 10.745,687 11.64,688 12.544,689 11.1,692 1,695 2,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 2,731 81,733 23,734 2,735 47,737 86,738 31,739 17,740 4,741 8,746 6,747 8,751 1,752 1,755 4,758 4,761 18,762 13,766 1,771 1,775 1,781 39,782 10,783 2,784 11,790 9,794 0.667,795 2,801 1,803 1,806 1,811 2,812 4,813 1,815 1,836 1,839 1,840 4,844 4,848 42,854 7,855 2,856 1,858 2,859 3,870 2.5,873 1,874 1,877 21,878 15.65,879 9.083,880 5.008,881 4.191,882 1.458,883 0.996,884 8.518,885 13.346,886 4.094,887 4.684,888 5.262,889 5.871,890 6.427,891 6.81,892 7.292,893 7.734,894 8.068,895 8.479,896 1,897 67,898 15.568,900 6.619,901 7.563,902 30.349,904 25.282,905 2.063,906 86.667,910 435.531,911 159.145,912 97.405,914 36.145,917 159.145,918 471.676,919 97.405,920 34.014,921 51.619,922 75.81,923 99.865,924 36.554,925 6.604,926 423.76,928 435.531,929 256.55,930 36.145,933 355.461,934 107.543,935 11,937 76.108,938 127.88,939 50.234,941 435.531,942 133.55,943 159.145,946 435.531,947 40.273,948 130.021,949 36.022,950 86.379,951 435.531,952 133.55,953 159.145,955 0.586,956 0.336,957 0.181,958 0.1,959 33,960 15,961 0.105,962 9,963 3,964 1.172,965 5.234,966 429.317,967 0.207,968 28,969 207.722,974 28.717,975 12.458,976 6.512,977 1.79,978 131.773,979 17.343,980 14.487,984 4.931,985 1.91,986 36.022,987 728.226,988 59,993 12.71,997 -0.301,999 80.825,1000 92.132,1001 0.24,1002 0.571,1003 0.743,1004 0.828,1005 0.85,1006 0.854,1007 5.359,1008 2.181,1009 6.286,1010 6.872,1011 4.905,1012 5.373,1013 2.318,1014 7.101,1015 4.804,1016 6.553,1017 1.9,1018 7.845,1019 5.638,1020 4.511,1021 5.182,1022 1.494,1023 7.978,1024 4.346,1025 7.855,1026 1.879,1027 9.497,1028 5.444,1029 6.509,1030 7.542,1031 2.615,1032 11.074,1033 6.304,1034 9.19,1035 1.757,1036 11.205,1037 5.244,1038 6.909,1039 8.197,1040 2.41,1041 12.782,1042 6.638,1043 10.557,1044 1.487,1045 12.948,1046 5.04,1047 8.377,1048 10.054,1049 3.305,1050 15.402,1051 8.069,1052 11.948,1053 1.369,1054 14.718,1055 4.255,1056 9.149,1057 11.129,1058 3.427,1059 17.486,1060 8.777,1061 13.358,1062 1.236,1063 16.507,1064 3.595,1065 10.407,1066 12.779,1067 4.173,1068 19.949,1069 9.994,1070 3.264,1071 1,1072 18.313,1073 3.551,1074 11.364,1075 14.074,1076 4.469,1077 22.21,1078 10.89,1079 2.882,1080 11.414,1081 20.132,1082 2.275,1083 12.537,1084 15.639,1085 5.116,1086 24.629,1087 12.019,1088 2.839,1089 9.109,1090 21.962,1091 4.627,1092 13.587,1093 17.047,1094 5.505,1095 26.974,1096 13.011,1097 2.788,1098 8.944,1099 23.803,1100 3.793,1101 14.733,1102 18.58,1103 6.092,1104 29.386,1105 14.109,1106 2.592,1107 8.601,1108 25.652,1109 3.695,1110 15.831,1111 20.047,1112 6.531,1113 31.773,1114 15.15,1115 2.458,1116 7.726,1117 27.508,1118 3.319,1119 16.972,1120 21.569,1121 7.084,1122 34.189,1123 16.24,1124 2.349,1125 7.588,1126 29.372,1127 3.171,1128 18.096,1129 23.066,1130 7.551,1131 36.597,1132 17.309,1133 32643,1134 48797,1135 31.728,1136 52.381,1137 71.11,1138 71.803,1139 72.553,1140 70.776,1141 70.731,1142 88.366,1143 10.326,1144 206.17,1145 67.221,1146 5.675,1147 5.562,1148 6.387,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 21.233,1156 1.513,1157 1.528,1158 1.544,1159 1.506,1160 1.505,1161 1.88,1162 0.22,1163 4.387,1164 1.43,1165 4.134,1166 4.185,1167 4.11,1168 3.98,1169 7.431,1170 4.004,1171 3.953,1172 3.996,1173 3.896,1174 3.849,1175 5.137,1176 3.855,1177 3.9,1178 3.942,1179 3.824,1180 3.797,1181 4.777,1182 3.8,1183 3.87,1184 3.91,1185 3.79,1186 3.715,1187 4.739,1188 3.726,1189 3.678,1190 3.76,1191 3.545,1192 3.462,1193 4.67,1194 3.469,1195 3.5,1196 3.573,1197 3.421,1198 3.284,1199 4.484,1200 3.293,1201 3.436,1202 3.515,1203 3.32,1204 3.188,1205 4.343,1206 3.215,1207 3.32,1208 3.392,1209 3.171,1210 3.086,1211 4.129,1212 3.097,1213 0.099,1214 0.076,1215 0.146,1216 0.09,1217 0.069,1218 4.675,1219 0.098,1220 3.562,1221 0.035,1222 6.845,1223 0.243,1224 4.211,1225 0.066,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.034,1234 2.086,1235 1.255,1236 2.067,1237 1.906,1238 1.873,1239 2.017,1240 2.035,1241 1.224,1242 2.032,1243 1.792,1244 1.754,1245 1.908,1246 1.946,1247 1.193,1248 1.94,1249 1.634,1250 1.558,1251 1.88,1252 1.878,1253 1.111,1254 1.881,1255 1.619,1256 1.551,1257 1.86,1258 1.868,1259 1.045,1260 1.863,1261 1.604,1262 1.543,1263 1.849,1264 1.76,1265 1.039,1266 1.798,1267 1.509,1268 1.444,1269 1.682,1270 1.723,1271 0.835,1272 1.712,1273 1.37,1274 1.287,1275 1.668,1276 1.651,1277 0.762,1278 1.656,1279 4.554,1281 5.894,1282 3.045,1283 7.415,1284 5.416,1285 9.02,1286 7.506,1287 10.674,1289 8.256,1295 6.461,1296 5.832,1297 6.066,1299 0.504,1300 6.675,1305 49.524,1306 123.288,1307 293.273,1308 381.515,1309 424.999,1310 436.508,1311 438.508,1312 67.543,1313 9.155,1314 103.68,1315 103.68,1316 34,1317 13.066,1318 4.585,1319 3.7,1320 62.119,1321 260,1322 290,1323 0.114,1324 300.712,1325 514.64,1326 725.498,1327 155729,1329 29.217,1330 0.696,1331 0.589,1332 29.217,1333 24.748,1334 20.356,1335 0.433,1336 0.312,1337 14.392,1338 19.428,1339 13.976,1340 11.602,1341 20.356,1342 14.643,1343 18.832,1344 0.281,1345 0.17,1346 18.832,1347 11.359,1348 15.703,1349 0.176,1350 0.09,1351 15.703,1352 7.968,1353 13.35,1354 0.111,1355 0.047,1356 13.35,1357 5.604,1358 10.902,1359 0.07,1360 0.025,1361 10.902,1362 3.91,1363 0.187,1364 128.206,1365 0.178,1366 38.125,1367 0.293,1368 228,1369 607.653,1370 253.016,1371 587.267,1372 822.12,1373 554,1374 270,1375 627.736,1376 297.074,1377 633.695,1378 931.4,1379 595,1380 6.592}
{0 CHEMBL572500,1 1.609,2 14.564,3 2.174,4 4.728,5 145.615,6 7.156,7 0.372,8 4.422,9 4.554,10 3.956,11 3.854,12 5.462,13 3.852,14 5.012,15 5.209,16 4.326,17 4.253,18 6.052,19 4.227,20 5.262,21 5.496,22 4.407,23 4.417,24 6.209,25 4.371,26 5.324,27 5.552,28 4.428,29 4.457,30 6.37,31 4.407,32 5.308,33 5.53,34 4.394,35 4.489,36 6.327,37 4.427,38 5.305,39 5.531,40 4.407,41 4.522,42 6.237,43 4.439,44 5.352,45 5.603,46 4.358,47 4.509,48 6.269,49 4.416,50 5.307,51 5.544,52 4.318,53 4.506,54 6.249,55 4.39,56 0.089,57 1.158,58 16.752,59 6.153,60 9.921,61 8.957,62 0.752,63 1.808,64 33.719,65 9.952,66 53.908,67 15.247,68 0.701,69 2.167,70 44.602,71 12.064,72 55.497,73 19.403,74 0.91,75 2.254,76 47.906,77 13.063,78 88.022,79 20.122,80 0.847,81 2.27,82 46.626,83 13.261,84 94.675,85 20.428,86 0.638,87 2.364,88 45.155,89 14.216,90 54.164,91 22.131,92 0.858,93 2.34,94 48.821,95 14.055,96 68.782,97 22.639,98 0.675,99 2.223,100 45.637,101 16.469,102 72.222,103 24.169,104 39,105 60,106 0.248,107 0.571,108 0.768,109 0.854,110 0.854,111 0.854,112 3.693,113 0.952,114 -4.1,115 -4.05,116 -3.83,119 36,120 3,121 2,125 7,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 13,178 2,179 1,180 3,183 5,186 2,187 7,192 2,195 2,198 6,199 18,204 4,207 4,211 2,212 8,217 2,220 2,223 3,224 15,227 2,229 1,232 9,236 5,237 3,245 8,249 6,250 6,253 4,255 1,258 9,263 7,266 1,275 3363,276 26.739,277 26.739,278 26.739,279 26.739,280 26.739,281 24.721,282 37.967,283 15.903,284 27.635,285 21.16,286 21.16,287 21.16,288 21.16,289 21.16,290 17.85,291 50.157,292 7.383,293 22.454,294 4.62,295 2.533,296 1.254,297 0.697,298 0.697,299 0.697,300 4.398,306 1218,307 4.062,310 94.732,311 475.84,314 170.035,318 2.204,319 41.367,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 86,331 568,332 4.698,333 3.768,334 6.935,335 4.252,336 3.305,337 4.639,338 2.208,339 11.724,340 3.131,341 4.186,342 3.545,343 6.458,344 3.869,345 2.931,346 3.796,347 1.656,348 9.978,349 2.766,350 4.059,351 3.421,352 6.131,353 3.787,354 2.819,355 3.391,356 0.86,357 9.021,358 2.716,359 3.935,360 3.117,361 6.025,362 3.689,363 2.756,364 3.172,365 0.8,366 8.563,367 2.554,368 3.831,369 2.841,370 5.776,371 3.506,372 2.546,373 3.101,374 0.655,375 7.68,376 2.433,377 3.553,378 2.601,379 5.47,380 3.334,381 2.367,382 2.711,383 0.247,384 7.329,385 2.278,386 3.455,387 2.398,388 5.094,389 3.056,390 2.075,391 2.635,392 0.13,393 5.664,394 2.023,395 3.125,396 2.324,397 4.821,398 2.846,399 1.905,400 2.226,402 5.493,403 1.787,404 2.961,405 2.09,406 4.465,407 2.477,408 1.566,409 2.156,411 4.29,412 1.422,413 2.736,414 1.807,415 4.352,416 2.445,417 1.495,418 1.758,420 4.04,421 1.412,422 2.508,423 1.755,424 4.141,425 2.333,426 1.414,427 1.508,428 3.39,429 1.291,430 2.5,431 1.536,432 3.936,433 2.134,434 1.229,435 1.5,436 2.989,437 1.102,438 2.414,439 1.51,440 3.654,441 2.05,442 1.108,443 1.414,445 2.895,446 1.039,447 2.342,448 1.452,449 3.536,450 2,451 1.01,452 1.327,454 2.275,455 1,456 2.122,457 1.112,458 3.414,459 1.984,460 1,461 1.076,463 2.275,464 0.983,465 18.033,466 0.462,467 0.866,468 0.022,469 45.25,470 1.16,471 18,472 0.462,473 27.25,474 0.699,475 41.58,476 1.066,477 44.367,478 0.592,479 39.246,480 1.006,481 8.674,482 0.222,483 10.303,484 0.264,485 0.12,487 0.344,493 0.802,494 1.665,495 0.805,496 1.341,497 0.592,498 1.106,499 0.868,500 1.155,501 0.883,502 0.979,503 0.54,504 0.939,505 1.075,506 1.126,507 0.922,508 0.915,509 0.809,510 0.881,511 1.278,512 0.992,513 1.058,514 0.918,515 1.349,516 0.94,517 1.261,518 1.04,519 1.11,520 0.931,521 1.507,522 0.98,523 0.733,524 1.223,525 1.02,526 1.16,527 0.653,528 1.138,529 0.758,530 0.997,531 1.028,532 0.987,533 0.516,534 1.026,535 0.459,536 1.019,537 0.941,538 1.223,539 0.449,540 1.184,541 7,542 0.4,543 4.889,544 2.472,545 1.876,546 1.646,547 1.252,548 0.682,549 0.421,550 0.403,551 23526,552 61667,553 2.095,554 48,556 20,558 1,559 2,561 9,562 4,564 1.799,565 1.966,566 3.741,567 0.213,573 120.662,574 1.609,575 3.695,576 4.975,577 5.532,578 5.532,579 5.532,580 3.243,581 5.08,582 5.244,583 3.948,584 2925.15,585 9.286,586 49111.2,591 467.161,592 1.389,593 5.219,594 0.163,595 0.009,596 0.081,597 0.038,598 0.029,599 0.026,600 0.02,601 0.011,602 0.007,603 0.008,604 0.392,605 0.33,606 0.63,607 1.31,608 217.419,609 -0.014,610 -0.329,611 0.078,612 -0.164,613 -0.018,614 -0.047,615 0.161,616 0.006,617 0.082,618 0.046,619 0.145,620 0.042,621 -0.105,622 -0.052,623 0.057,624 0.068,625 -0.022,626 0.092,627 -0.155,628 0.076,629 -0.061,630 0.052,631 -0.119,632 0.016,633 -0.215,634 0.046,635 -0.133,636 0.074,637 -0.231,638 -0.002,639 -0.004,640 -0.098,641 -0.091,642 -0.115,643 -0.041,644 -0.121,645 0.005,646 0.081,647 -0.076,648 0.005,649 0.015,650 -0.035,651 0.196,652 0.036,653 -0.022,654 -0.139,655 0.145,656 -0.129,657 1.931,658 5.19,659 0.692,660 55.247,661 1.007,662 1.142,663 2.871,664 8.241,665 0.634,666 3.784,667 4.111,668 4.419,669 4.71,670 4.977,671 5.17,672 5.416,673 5.628,674 5.796,675 5.981,676 8.232,677 0.605,678 536.71,679 3.784,680 5.333,681 6.196,682 7.084,683 7.97,684 8.87,685 9.768,686 10.675,687 11.582,688 12.495,689 10.7,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 75,733 18,734 1,735 43,737 79,738 27,739 11,740 2,741 4,746 5,747 6,751 1,752 3,755 4,758 4,761 13,762 14,766 2,771 2,775 2,781 36,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 3,848 39,854 9,855 2,856 2,858 2,859 2,870 5.3,873 2,874 1,875 1,877 19.833,878 14.2,879 8.722,880 4.987,881 3.159,882 1.364,883 0.962,884 8.851,885 11.849,886 3.989,887 4.541,888 5.122,889 5.73,890 6.294,891 6.759,892 7.29,893 7.778,894 8.146,895 8.578,896 1,897 65,898 14.493,900 6.148,901 7.718,902 27.877,904 22.927,905 2.218,906 86.5,910 400.217,911 126.622,912 94.281,914 72.29,917 126.622,918 472.507,919 94.281,920 26.476,921 66.415,922 37.905,923 125.01,924 35.791,925 13.366,926 388.446,928 400.217,929 220.903,930 72.29,933 249.521,934 214.314,935 11,937 105.43,938 62.911,939 50.234,941 400.217,942 166.57,943 126.622,946 400.217,947 53.194,948 81.453,949 36.022,950 122.524,951 400.217,952 166.57,953 126.622,955 0.574,956 0.34,957 0.187,958 0.099,959 28,960 13,961 0.089,962 7,963 1,964 1.074,965 4.781,966 397.338,967 0.074,968 27,969 196.131,974 27.625,975 12.495,976 6.133,977 1.669,978 164.794,979 9.365,980 14.779,984 2.952,985 1.989,986 36.022,987 693.41,988 53,993 24.101,997 -0.51,999 75.494,1000 85.637,1001 0.258,1002 0.593,1003 0.799,1004 0.888,1005 0.888,1006 0.888,1007 5.247,1008 1.905,1009 6.18,1010 5.664,1011 4.796,1012 5.228,1013 2.857,1014 7.013,1015 4.687,1016 6.426,1017 1.566,1018 7.751,1019 5.493,1020 4.369,1021 5.056,1022 2.2,1023 7.96,1024 4.225,1025 7.729,1026 1.495,1027 9.423,1028 4.29,1029 6.405,1030 7.386,1031 3.824,1032 11.088,1033 6.19,1034 9.069,1035 1.414,1036 11.157,1037 4.04,1038 6.825,1039 8.101,1040 3.876,1041 12.883,1042 6.568,1043 10.445,1044 1.229,1045 12.931,1046 3.39,1047 8.311,1048 9.922,1049 5.122,1050 15.531,1051 7.991,1052 11.847,1053 1.108,1054 14.732,1055 2.989,1056 9.118,1057 11.054,1058 5.498,1059 17.679,1060 8.748,1061 13.27,1062 1.01,1063 16.553,1064 2.895,1065 10.388,1066 12.685,1067 6.553,1068 20.174,1069 9.962,1070 3.305,1071 1,1072 18.389,1073 2.275,1074 11.377,1075 14.023,1076 7.101,1077 22.48,1078 10.897,1079 2.931,1080 11.724,1081 20.237,1082 2.275,1083 12.565,1084 15.582,1085 8.048,1086 24.928,1087 12.031,1088 2.819,1089 9.978,1090 22.095,1091 4.639,1092 13.642,1093 17.019,1094 8.696,1095 27.307,1096 13.052,1097 2.756,1098 9.021,1099 23.961,1100 3.796,1101 14.804,1102 18.554,1103 9.58,1104 29.747,1105 14.161,1106 2.546,1107 8.563,1108 25.834,1109 3.391,1110 15.925,1111 20.039,1112 10.287,1113 32.161,1114 15.227,1115 2.367,1116 7.68,1117 27.713,1118 3.172,1119 17.083,1120 21.567,1121 11.134,1122 34.603,1123 16.331,1124 2.075,1125 7.329,1126 29.598,1127 3.101,1128 18.228,1129 23.076,1130 11.875,1131 37.036,1132 17.421,1133 22602,1134 36729,1135 28.838,1136 47.523,1137 64.739,1138 66.345,1139 66.886,1140 64.094,1141 64.074,1142 78.41,1143 13.112,1144 185.125,1145 60.656,1146 5.698,1147 5.768,1148 6.707,1149 5.356,1150 5.305,1151 7.639,1152 3.912,1153 19.354,1154 5.131,1155 19.976,1156 1.506,1157 1.543,1158 1.555,1159 1.491,1160 1.49,1161 1.823,1162 0.305,1163 4.305,1164 1.411,1165 4.143,1166 4.194,1167 4.118,1168 3.984,1169 7.434,1170 4.01,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.43,1176 3.811,1177 3.828,1178 3.882,1179 3.737,1180 3.652,1181 5.135,1182 3.661,1183 3.752,1184 3.807,1185 3.65,1186 3.546,1187 4.752,1188 3.56,1189 3.614,1190 3.686,1191 3.513,1192 3.375,1193 4.631,1194 3.39,1195 3.524,1196 3.578,1197 3.389,1198 3.294,1199 4.502,1200 3.301,1201 3.315,1202 3.387,1203 3.209,1204 3.095,1205 4.462,1206 3.115,1207 3.264,1208 3.351,1209 3.08,1210 3.085,1211 4.22,1212 3.064,1213 0.109,1214 0.088,1215 0.161,1216 0.099,1217 0.077,1218 4.698,1219 0.108,1220 3.768,1221 0.051,1222 6.935,1223 0.273,1224 4.252,1225 0.073,1226 3.305,1227 4.639,1228 2.208,1229 11.724,1230 3.131,1231 1.957,1232 1.925,1233 2.051,1234 2.106,1235 1.409,1236 2.087,1237 1.849,1238 1.8,1239 2.015,1240 2.027,1241 1.259,1242 2.024,1243 1.794,1244 1.744,1245 1.963,1246 1.978,1247 1.109,1248 1.975,1249 1.621,1250 1.574,1251 1.844,1252 1.845,1253 0.989,1254 1.836,1255 1.552,1256 1.474,1257 1.803,1258 1.785,1259 0.939,1260 1.783,1261 1.488,1262 1.427,1263 1.733,1264 1.742,1265 0.906,1266 1.753,1267 1.295,1268 1.212,1269 1.631,1270 1.588,1271 0.872,1272 1.566,1273 1.279,1274 1.202,1275 1.513,1276 1.519,1277 0.825,1278 1.548,1279 4.466,1281 5.79,1282 2.398,1283 7.315,1284 4.727,1285 8.934,1286 6.862,1287 10.603,1289 5.819,1295 5.645,1296 5.552,1297 10.86,1299 0.263,1300 4.015,1305 45.406,1306 120.662,1307 277.161,1308 373.122,1309 414.897,1310 414.897,1311 414.897,1312 74.974,1313 8.69,1314 126.74,1315 126.74,1316 29,1317 13.01,1318 4.248,1319 3.459,1320 61.213,1321 185,1322 243,1323 0.158,1324 276.789,1325 480.56,1326 667.126,1327 74060,1329 27.355,1330 0.701,1331 0.583,1332 27.355,1333 22.722,1334 18.978,1335 0.441,1336 0.317,1337 13.386,1338 17.945,1339 13.101,1340 10.813,1341 18.978,1342 13.647,1343 16.741,1344 0.279,1345 0.163,1346 16.741,1347 9.794,1348 14.407,1349 0.176,1350 0.087,1351 14.407,1352 7.148,1353 12.334,1354 0.112,1355 0.046,1356 12.334,1357 5.114,1358 9.787,1359 0.068,1360 0.025,1361 9.787,1362 3.548,1363 0.247,1364 120.713,1365 0.186,1366 35.057,1367 0.435,1368 206,1369 629.479,1370 235.027,1371 590.04,1372 811.94,1373 556,1374 245,1375 606.093,1376 274.368,1377 600.711,1378 891.44,1379 567,1380 6.257}
{0 CHEMBL572679,1 1.697,2 15.35,3 2.226,4 4.956,5 145.467,6 7.396,7 0.364,8 4.428,9 4.558,10 3.984,11 3.852,12 5.496,13 3.86,14 5.022,15 5.215,16 4.349,17 4.251,18 6.103,19 4.235,20 5.27,21 5.502,22 4.431,23 4.416,24 6.268,25 4.377,26 5.329,27 5.555,28 4.447,29 4.456,30 6.394,31 4.413,32 5.314,33 5.533,34 4.44,35 4.488,36 6.437,37 4.434,38 5.31,39 5.534,40 4.427,41 4.521,42 6.269,43 4.445,44 5.357,45 5.605,46 4.395,47 4.508,48 6.315,49 4.425,50 5.316,51 5.55,52 4.361,53 4.504,54 6.324,55 4.402,56 0.142,57 1.214,58 16.053,59 6.178,60 12.871,61 8.702,62 0.872,63 1.883,64 33.523,65 10,66 65.006,67 14.779,68 0.939,69 2.221,70 44.808,71 12.075,72 76.366,73 19.041,74 1.072,75 2.281,76 47.716,77 13.084,78 100.29,79 19.767,80 1.149,81 2.31,82 46.539,83 13.258,84 138.858,85 20.197,86 0.779,87 2.402,88 44.765,89 14.241,90 63.333,91 21.779,92 0.977,93 2.393,94 48.698,95 14.084,96 77.059,97 22.305,98 0.829,99 2.328,100 45.929,101 16.537,102 86.649,103 23.666,104 40,105 61,106 0.262,107 0.589,108 0.791,109 0.86,110 0.86,111 0.86,112 3.718,113 0.935,114 -4.2,115 -4.14,116 -3.91,119 36,120 2,121 2,125 8,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 13,178 2,179 1,180 2,183 5,186 2,187 7,192 2,195 2,198 6,199 17,204 3,207 4,211 2,212 8,217 2,220 2,223 3,224 15,227 2,229 1,232 7,236 5,237 3,245 6,249 6,250 6,253 4,255 1,258 8,263 7,266 1,275 3632,276 27.447,277 27.447,278 27.447,279 27.447,280 27.447,281 25.428,282 37.11,283 16.427,284 28.372,285 21.66,286 21.66,287 21.66,288 21.66,289 21.66,290 18.35,291 48.801,292 7.676,293 23.053,294 4.532,295 2.413,296 1.107,297 0.66,298 0.66,299 0.66,300 4.422,306 1315,307 4.183,310 98.761,311 493.785,314 176.992,318 2.27,319 49.005,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 89.5,331 614,332 4.698,333 3.768,334 6.935,335 4.252,336 3.305,337 4.639,338 2.208,339 11.724,340 3.131,341 4.186,342 3.546,343 6.458,344 3.869,345 2.931,346 3.796,347 1.656,348 9.978,349 2.766,350 4.059,351 3.421,352 6.131,353 3.787,354 2.819,355 3.391,356 0.86,357 9.021,358 2.716,359 3.935,360 3.117,361 6.025,362 3.689,363 2.756,364 3.173,365 0.8,366 8.563,367 2.554,368 3.832,369 2.841,370 5.776,371 3.507,372 2.548,373 3.101,374 0.655,375 7.68,376 2.434,377 3.554,378 2.601,379 5.471,380 3.335,381 2.368,382 2.714,383 0.247,384 7.332,385 2.278,386 3.458,387 2.4,388 5.094,389 3.065,390 2.087,391 2.635,392 0.13,393 5.664,394 2.029,395 3.125,396 2.325,397 4.827,398 2.846,399 1.905,400 2.226,402 5.52,403 1.787,404 2.963,405 2.168,406 4.466,407 2.478,408 1.566,409 2.158,411 4.296,412 1.427,413 2.736,414 2.089,415 4.352,416 2.456,417 1.513,418 1.758,420 4.04,421 1.415,422 2.511,423 1.807,424 4.141,425 2.333,426 1.414,427 1.511,428 3.391,429 1.291,430 2.5,431 1.755,432 3.936,433 2.281,434 1.348,435 1.5,436 2.989,437 1.237,438 2.438,439 1.535,440 3.654,441 2.133,442 1.227,443 1.417,445 2.897,446 1.101,447 2.414,448 1.452,449 3.537,450 2.039,451 1.098,452 1.414,454 2.494,455 1.028,456 2.341,457 1.22,458 3.414,459 2,460 1,461 1.327,463 2.275,464 1,465 18.319,466 0.458,467 0.866,468 0.022,469 46,470 1.15,471 18,472 0.45,473 28,474 0.7,475 42.254,476 1.056,477 45.881,478 0.612,479 41.092,480 1.027,481 9.017,482 0.225,483 10.461,484 0.262,485 0.107,487 0.338,488 1,493 0.739,494 1.528,495 0.765,496 1.339,497 0.554,498 1.098,499 0.891,500 1.101,501 0.905,502 0.977,503 0.655,504 0.948,505 0.974,506 1.011,507 0.925,508 0.911,509 0.753,510 0.894,511 1.11,512 0.909,513 1.038,514 0.916,515 1.071,516 0.947,517 0.985,518 0.914,519 1.047,520 0.927,521 1.028,522 0.984,523 0.675,524 1.105,525 1.001,526 1.156,527 0.581,528 1.148,529 0.68,530 0.933,531 0.982,532 0.986,533 0.453,534 1.023,535 0.546,536 0.995,537 0.941,538 1.221,539 0.549,540 1.188,541 7,542 0.4,543 4.889,544 2.472,545 1.956,546 1.646,547 1.252,548 0.682,549 0.433,550 0.418,551 25497,552 74546,553 2.092,554 46.7,556 22,558 1,559 2,561 6,562 4,564 1.804,565 1.967,566 3.803,567 0.224,573 127.255,574 1.697,575 3.816,576 5.122,577 5.569,578 5.569,579 5.569,580 3.315,581 5.072,582 5.279,583 4.009,584 3127.12,585 9.355,586 53844.9,591 467.161,592 1.376,593 5.257,594 0.159,595 0.009,596 0.08,597 0.037,598 0.03,599 0.025,600 0.019,601 0.011,602 0.007,603 0.008,604 0.386,605 0.33,606 0.63,607 1.422,608 225.339,609 -0.029,610 -0.292,611 0.069,612 -0.163,613 -0.021,614 -0.047,615 0.072,616 0.011,617 0.034,618 0.048,619 0.054,620 0.028,621 -0.086,622 -0.007,623 0.032,624 0.07,625 -0.024,626 0.081,627 -0.151,628 0.056,629 -0.072,630 0.052,631 -0.117,632 0.014,633 -0.082,634 0.071,635 -0.1,636 0.075,637 -0.041,638 -0.002,639 -0.016,640 -0.083,641 -0.1,642 -0.114,643 -0.04,644 -0.127,645 0.004,646 0.038,647 -0.054,648 0.002,649 0.032,650 -0.025,651 0.137,652 0.024,653 -0.03,654 -0.139,655 0.097,656 -0.132,657 2.135,658 5.188,659 0.675,660 59.32,661 1.013,662 1.146,663 2.97,664 8.822,665 0.633,666 3.807,667 4.127,668 4.431,669 4.718,670 4.99,671 5.176,672 5.425,673 5.635,674 5.802,675 5.991,676 8.535,677 0.611,678 554.7,679 3.807,680 5.352,681 6.213,682 7.098,683 7.982,684 8.879,685 9.776,686 10.682,687 11.588,688 12.5,689 10.7,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 75,733 18,734 1,735 44,737 79,738 27,739 11,740 2,741 4,744 1,746 5,747 6,751 1,752 3,755 4,758 4,761 13,762 14,766 2,771 2,775 2,779 1,781 35,782 12,783 2,784 13,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 2,846 1,848 40,854 10,855 2,856 2,858 2,859 2,869 1,870 5.3,873 2,874 1,875 1,877 20.333,878 13.843,879 8.972,880 4.809,881 3.169,882 1.362,883 0.962,884 9.349,885 11.912,886 4.007,887 4.551,888 5.128,889 5.734,890 6.299,891 6.76,892 7.292,893 7.78,894 8.148,895 8.582,896 0.909,897 66,898 14.885,900 6.352,901 7.85,902 28.34,904 23.305,905 2.35,906 94,910 388.446,911 126.267,912 94.281,914 72.29,915 14.96,917 126.267,918 460.736,919 109.241,920 17.65,921 74.885,922 37.905,923 125.01,924 35.791,925 28.326,926 376.675,928 388.446,929 220.547,930 87.25,933 288.023,934 179.001,935 11,937 105.075,938 62.911,939 50.234,941 403.406,942 166.57,943 126.267,946 388.446,947 61.664,948 72.628,949 36.022,950 137.484,951 388.446,952 181.531,953 126.267,955 0.572,956 0.338,957 0.184,958 0.101,959 28,960 13,961 0.089,962 7,963 1,964 1.074,965 4.88,966 408.205,967 0.074,968 27,969 204.877,974 28.526,975 13.109,976 6.508,977 1.606,978 179.754,979 9.042,980 14.699,984 2.699,985 1.961,986 36.022,987 696.243,988 54,993 24.092,997 -0.748,999 76.007,1000 85.977,1001 0.272,1002 0.613,1003 0.822,1004 0.894,1005 0.894,1006 0.894,1007 5.263,1008 1.905,1009 6.192,1010 5.664,1011 4.812,1012 5.239,1013 2.857,1014 7.02,1015 4.7,1016 6.438,1017 1.566,1018 7.759,1019 5.52,1020 4.369,1021 5.056,1022 2.2,1023 7.96,1024 4.225,1025 7.738,1026 1.513,1027 9.429,1028 4.296,1029 6.415,1030 7.39,1031 3.824,1032 11.089,1033 6.197,1034 9.074,1035 1.414,1036 11.161,1037 4.04,1038 6.825,1039 8.101,1040 3.876,1041 12.883,1042 6.568,1043 10.449,1044 1.348,1045 12.933,1046 3.391,1047 8.316,1048 9.923,1049 5.122,1050 15.531,1051 7.995,1052 11.85,1053 1.227,1054 14.733,1055 2.989,1056 9.118,1057 11.054,1058 5.498,1059 17.679,1060 8.748,1061 13.272,1062 1.098,1063 16.554,1064 2.897,1065 10.39,1066 12.685,1067 6.553,1068 20.174,1069 9.963,1070 3.305,1071 1,1072 18.389,1073 2.494,1074 11.377,1075 14.023,1076 7.101,1077 22.48,1078 10.897,1079 2.931,1080 11.724,1081 20.237,1082 2.275,1083 12.566,1084 15.582,1085 8.048,1086 24.928,1087 12.031,1088 2.819,1089 9.978,1090 22.095,1091 4.639,1092 13.642,1093 17.019,1094 8.696,1095 27.307,1096 13.053,1097 2.756,1098 9.021,1099 23.961,1100 3.796,1101 14.804,1102 18.554,1103 9.58,1104 29.747,1105 14.161,1106 2.548,1107 8.563,1108 25.834,1109 3.391,1110 15.925,1111 20.039,1112 10.287,1113 32.161,1114 15.227,1115 2.368,1116 7.68,1117 27.713,1118 3.173,1119 17.083,1120 21.568,1121 11.134,1122 34.603,1123 16.332,1124 2.087,1125 7.332,1126 29.598,1127 3.101,1128 18.228,1129 23.076,1130 11.875,1131 37.036,1132 17.422,1133 24530,1134 42069,1135 29.531,1136 47.461,1137 65.745,1138 68.304,1139 68.15,1140 65.263,1141 65.324,1142 79.662,1143 13.112,1144 187.729,1145 61.643,1146 5.698,1147 5.768,1148 6.799,1149 5.356,1150 5.305,1151 7.639,1152 3.912,1153 19.354,1154 5.131,1155 20.347,1156 1.494,1157 1.552,1158 1.549,1159 1.483,1160 1.485,1161 1.81,1162 0.298,1163 4.267,1164 1.401,1165 4.143,1166 4.194,1167 4.118,1168 3.984,1169 8.196,1170 4.01,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.434,1176 3.811,1177 3.828,1178 3.883,1179 3.737,1180 3.652,1181 7.43,1182 3.661,1183 3.752,1184 3.807,1185 3.651,1186 3.546,1187 5.135,1188 3.56,1189 3.628,1190 3.697,1191 3.536,1192 3.374,1193 4.752,1194 3.399,1195 3.525,1196 3.578,1197 3.392,1198 3.294,1199 4.631,1200 3.301,1201 3.328,1202 3.395,1203 3.241,1204 3.095,1205 4.501,1206 3.121,1207 3.265,1208 3.352,1209 3.126,1210 3.084,1211 4.462,1212 3.065,1213 0.107,1214 0.086,1215 0.158,1216 0.097,1217 0.075,1218 4.698,1219 0.105,1220 3.768,1221 0.05,1222 6.935,1223 0.266,1224 4.252,1225 0.071,1226 3.305,1227 4.639,1228 2.208,1229 11.724,1230 3.131,1231 1.957,1232 1.925,1233 2.051,1234 2.106,1235 1.409,1236 2.087,1237 1.849,1238 1.8,1239 2.015,1240 2.027,1241 1.259,1242 2.024,1243 1.794,1244 1.744,1245 1.963,1246 1.978,1247 1.109,1248 1.975,1249 1.62,1250 1.574,1251 1.803,1252 1.846,1253 0.995,1254 1.825,1255 1.535,1256 1.463,1257 1.783,1258 1.786,1259 0.939,1260 1.778,1261 1.488,1262 1.427,1263 1.731,1264 1.743,1265 0.906,1266 1.751,1267 1.295,1268 1.212,1269 1.631,1270 1.588,1271 0.872,1272 1.566,1273 1.279,1274 1.202,1275 1.513,1276 1.519,1277 0.825,1278 1.548,1279 4.489,1281 5.808,1282 2.398,1283 7.328,1284 4.727,1285 8.943,1286 6.862,1287 10.61,1289 3.914,1291 12.343,1295 4.246,1296 5.131,1297 10.837,1299 0.209,1300 3.97,1305 45.789,1306 127.255,1307 286.191,1308 384.142,1309 417.652,1310 417.652,1311 417.652,1312 84.402,1313 8.743,1314 126.74,1315 126.74,1316 29,1317 13.016,1318 4.248,1319 3.459,1320 63.677,1321 197,1322 270,1323 0.154,1324 277.988,1325 486.63,1326 670.05,1327 79772,1328 1.3,1329 28.062,1330 0.702,1331 0.57,1332 27.355,1333 22.807,1334 19.478,1335 0.443,1336 0.312,1337 13.41,1338 18.311,1339 13.187,1340 10.813,1341 18.978,1342 13.707,1343 17.095,1344 0.28,1345 0.162,1346 16.741,1347 9.879,1348 14.676,1349 0.177,1350 0.087,1351 14.407,1352 7.191,1353 12.393,1354 0.112,1355 0.046,1356 12.334,1357 5.114,1358 10.101,1359 0.069,1360 0.025,1361 9.787,1362 3.578,1363 0.242,1364 124.774,1365 0.184,1366 35.891,1367 0.422,1368 210,1369 719.59,1370 241.694,1371 645.184,1372 871.26,1373 608,1374 249,1375 626.76,1376 280.377,1377 618.285,1378 917.32,1379 583,1380 5.342}
{0 CHEMBL572830,1 1.468,2 13.297,3 3.957,4 15.659,5 144.85,6 7.26,7 0.605,8 4.341,9 4.469,10 3.915,11 3.878,12 5.333,13 3.86,14 4.923,15 5.106,16 4.287,17 4.307,18 5.855,19 4.268,20 5.184,21 5.413,22 4.321,23 4.45,24 6.039,25 4.367,26 5.246,27 5.506,28 4.284,29 4.455,30 6.074,31 4.353,32 5.194,33 5.439,34 4.299,35 4.449,36 6.035,37 4.356,38 5.201,39 5.432,40 4.335,41 4.456,42 6.085,43 4.377,44 5.216,45 5.452,46 4.278,47 4.453,48 6.075,49 4.359,50 5.21,51 5.449,52 4.222,53 4.471,54 6,55 4.35,56 0.062,57 1.086,58 14.604,59 5.956,60 9.004,61 8.19,62 0.326,63 1.826,64 28.822,65 9.925,66 24.626,67 13.989,68 0.411,69 2.23,70 39.374,71 13.309,72 35.205,73 19.524,74 0.53,75 2.339,76 43.148,77 14.219,78 40.554,79 21.254,80 0.368,81 2.222,82 40.139,83 13.939,84 37.622,85 20.679,86 0.424,87 2.303,88 39.919,89 12.93,90 39.217,91 19.145,92 0.559,93 2.264,94 41.137,95 13.252,96 45.417,97 19.647,98 0.364,99 2.218,100 40.415,101 15.228,102 33.795,103 21.929,105 61,106 0.228,107 0.572,108 0.746,109 0.82,110 0.831,111 0.831,112 3.643,113 0.923,114 -5.37,115 -5.25,116 -4.91,119 42.6,121 2,125 7,127 1,142 9,143 4,145 1,147 1,149 1,151 1,152 1,161 1,166 1,172 11,174 3,175 12,180 3,183 12,186 2,187 8,192 2,195 7,198 6,199 10,204 1,207 6,211 2,212 9,220 6,223 1,224 12,227 2,232 8,236 3,237 8,245 7,249 2,250 9,253 2,255 1,258 5,263 11,266 1,271 4,275 2848,276 26.101,277 26.101,278 26.101,279 26.101,280 26.101,281 23.203,282 27.006,283 15.498,284 26.728,285 21.322,286 21.322,287 21.322,288 21.322,289 21.322,290 16.907,291 38.09,292 7.443,293 22.35,294 4.619,295 2.401,296 1.284,297 0.805,298 0.735,299 0.735,300 4.376,305 1,306 1130,307 2.646,310 167.875,311 524.105,314 293.026,318 2.073,319 22.491,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78.5,331 492,332 4.696,333 3.381,334 6.903,335 4.24,336 3.29,337 4.642,338 0.916,339 11.618,340 3.124,341 4.439,342 3.077,343 6.336,344 3.958,345 2.976,346 4.372,347 0.86,348 9.651,349 2.922,350 4.05,351 2.979,352 6.265,353 3.778,354 2.835,355 3.533,356 0.8,357 9.447,358 2.677,359 3.936,360 2.947,361 5.973,362 3.607,363 2.649,364 3.456,365 0.172,366 8.476,367 2.55,368 3.9,369 2.639,370 5.636,371 3.537,372 2.577,373 3.285,375 7.741,376 2.473,377 3.524,378 2.486,379 5.516,380 3.314,381 2.349,382 2.606,384 7.11,385 2.248,386 3.259,387 2.357,388 5.044,389 3.043,390 2.1,391 2.356,393 6.052,394 1.971,395 3.051,396 2.121,397 4.746,398 2.654,399 1.734,400 2.318,402 4.82,403 1.594,404 3.033,405 1.581,406 4.506,407 2.528,408 1.552,409 2.299,411 4.506,412 1.52,413 2.942,414 1.55,415 4.326,416 2.493,417 1.533,418 2.046,420 4.108,421 1.46,422 2.818,423 1.533,424 4.083,425 2.415,426 1.427,427 1.913,428 3.225,429 1.406,430 2.604,431 1.487,432 3.767,433 2.154,434 1.255,435 1.648,436 2.993,437 1.12,438 2.5,439 1.256,440 3.587,441 2.089,442 1.138,443 1.5,445 2.901,446 1.078,447 2.492,448 1.145,449 3.452,450 2,451 1.024,452 1.488,454 2.393,455 1,456 2.385,457 1.077,458 3.414,459 1.984,460 1,461 1.373,463 2.275,464 0.983,465 17.633,466 0.477,467 0.701,468 0.019,469 48.25,470 1.304,471 22.5,472 0.608,473 25.75,474 0.696,475 34.542,476 0.934,477 38.767,478 0.57,479 36.812,480 0.995,481 9.295,482 0.251,483 9.019,484 0.244,487 0.323,493 0.869,494 1.392,495 0.779,496 1.111,497 0.756,498 0.963,499 1.355,500 1.123,501 0.978,502 0.947,503 1.015,504 0.924,505 1.11,506 1.159,507 1.01,508 1.013,509 0.89,510 1.002,511 0.876,512 0.91,513 0.968,514 0.902,515 1.055,516 0.929,517 0.816,518 1.079,519 0.904,520 0.974,521 1.053,522 0.947,523 1.155,524 1.116,525 1.08,526 1.032,527 1.209,528 1.033,529 1.186,530 1.017,531 1.133,532 0.989,533 1.295,534 1.034,535 0.748,536 1.022,537 1.044,538 1.131,539 0.821,540 1.123,541 5.5,542 0.169,543 3.778,544 1.729,545 1.742,546 1.25,547 0.919,548 0.518,549 0.382,550 0.27,551 23335,552 50420,553 2.281,554 45.6,556 24,557 1,558 1,559 1,562 4,564 1.784,565 2.242,566 3.65,567 -0.392,573 99.834,574 1.468,575 3.686,576 4.804,577 5.282,578 5.352,579 5.352,580 3.105,581 4.777,582 5.174,583 3.855,584 2567.54,585 9.13,586 41040.8,591 413.947,592 0.909,593 5.181,594 0.128,595 0.004,596 0.062,597 0.028,598 0.03,599 0.021,600 0.015,601 0.009,602 0.007,603 0.005,604 0.31,605 0.17,606 0.75,608 202.332,609 0.065,610 -0.205,611 0.098,612 -0.081,613 0.091,614 -0.004,615 -0.089,616 0.008,617 -0.024,618 0.022,619 -0.007,620 0.005,621 -0.048,622 -0.116,623 -0.035,624 -0.044,625 0.068,626 -0.042,627 0.051,628 0.118,629 0.022,630 0.049,631 -0.018,632 0.034,633 0.048,634 -0.063,635 0.067,636 0.007,637 -0.031,638 0.035,639 -0.084,640 -0.037,641 -0.104,642 -0.088,643 -0.124,644 -0.094,645 -0.055,646 0.037,647 -0.147,648 -0.04,649 -0.165,650 -0.089,651 0.051,652 -0.025,653 -0.088,654 -0.124,655 -0.002,656 -0.123,657 1.003,658 2.126,659 0.973,660 46.51,661 0.995,662 1.128,663 4.136,664 17.109,665 0.671,666 3.784,667 4.127,668 4.466,669 4.787,670 5.063,671 5.226,672 5.481,673 5.707,674 5.883,675 6.082,676 7.787,677 0.635,678 493.67,679 3.784,680 5.342,681 6.221,682 7.114,683 8.008,684 8.91,685 9.813,686 10.721,687 11.63,688 12.542,689 10.3,692 1,695 1,697 2,699 3,703 4,704 11,705 3,706 1,709 4,710 1,711 26,726 1,731 68,733 26,734 2,735 43,737 74,738 29,739 19,740 4,741 8,746 7,747 9,755 3,758 3,761 19,762 10,781 31,782 6,783 1,784 8,790 7,794 0.714,795 1,803 1,806 1,807 1,811 2,812 5,815 2,836 1,839 1,840 5,848 37,854 9,856 1,858 1,859 2,870 1.5,874 1,877 16.5,878 12.117,879 7.944,880 4.327,881 4.656,882 1.511,883 1.052,884 6.131,885 13.761,886 4.043,887 4.673,888 5.333,889 5.983,890 6.54,891 6.973,892 7.508,893 8.022,894 8.407,895 8.915,896 0.889,897 61,898 13.716,900 5.963,901 7.423,902 27.21,904 23.505,905 1.923,906 71.167,910 353.133,911 148.196,912 75.045,914 11,917 148.196,918 364.133,919 75.045,921 24.782,922 94.334,923 74.72,924 47.703,925 16.243,926 329.591,928 353.133,929 223.241,930 11,933 308.377,934 47.084,935 11,937 57.231,938 113.447,939 50.234,941 353.133,942 86.045,943 148.196,946 353.133,947 44.815,948 111.406,949 16.786,950 61.234,951 353.133,952 86.045,953 148.196,955 0.581,956 0.346,957 0.196,958 0.107,959 33,960 12,961 0.068,962 5,963 2,964 1.111,965 4.851,966 389.477,967 0.111,968 36,969 178.75,974 22.913,975 9.901,976 4.523,977 4.237,978 67.483,979 23.144,980 15.105,981 3.277,984 4.108,985 2.166,986 16.786,987 587.374,988 56,999 67.643,1000 76.68,1001 0.241,1002 0.606,1003 0.789,1004 0.868,1005 0.879,1006 0.879,1007 5.291,1008 1.734,1009 6.192,1010 6.052,1011 4.812,1012 5.361,1013 1.598,1014 7.022,1015 4.723,1016 6.484,1017 1.552,1018 7.751,1019 4.82,1020 4.29,1021 5.121,1022 0.57,1023 7.928,1024 4.159,1025 7.791,1026 1.533,1027 9.413,1028 4.506,1029 6.415,1030 7.608,1031 1.256,1032 11.073,1033 6.242,1034 9.137,1035 1.427,1036 11.137,1037 4.108,1038 6.781,1039 8.305,1040 0.581,1041 12.852,1042 6.564,1043 10.521,1044 1.255,1045 12.903,1046 3.225,1047 8.313,1048 10.208,1049 1.023,1050 15.495,1051 8.057,1052 11.934,1053 1.138,1054 14.697,1055 2.993,1056 9.09,1057 11.341,1058 0.515,1059 17.631,1060 8.787,1061 13.367,1062 1.024,1063 16.513,1064 2.901,1065 10.382,1066 13.009,1067 0.84,1068 20.115,1069 10.04,1070 3.29,1071 1,1072 18.344,1073 2.393,1074 11.356,1075 14.347,1076 0.441,1077 22.409,1078 10.965,1079 2.976,1080 11.618,1081 20.187,1082 2.275,1083 12.553,1084 15.92,1085 0.689,1086 24.846,1087 12.12,1088 2.835,1089 9.651,1090 22.04,1091 4.642,1092 13.622,1093 17.353,1094 0.373,1095 27.213,1096 13.139,1097 2.649,1098 9.447,1099 23.901,1100 4.372,1101 14.786,1102 18.889,1103 0.564,1104 29.641,1105 14.259,1106 2.577,1107 8.476,1108 25.769,1109 3.533,1110 15.901,1111 20.367,1112 0.314,1113 32.045,1114 15.323,1115 2.349,1116 7.741,1117 27.644,1118 3.456,1119 17.059,1120 21.89,1121 0.461,1122 34.475,1123 16.433,1124 2.1,1125 7.11,1126 29.523,1127 3.285,1128 18.199,1129 23.389,1130 0.264,1131 36.898,1132 17.522,1133 20746,1134 30688,1135 30.512,1136 45.631,1137 65.587,1138 65.468,1139 65.247,1140 65.307,1141 65.252,1142 84.847,1143 5.498,1144 189.372,1145 62.324,1146 5.696,1147 5.381,1148 6.705,1149 5.343,1150 5.29,1151 7.642,1152 1.776,1153 19.166,1154 5.124,1156 1.525,1157 1.523,1158 1.517,1159 1.519,1160 1.517,1161 1.973,1162 0.128,1163 4.404,1164 1.449,1165 4.173,1166 4.218,1167 4.143,1168 4.059,1169 5.144,1170 4.071,1171 4.056,1172 4.101,1173 4.017,1174 3.917,1175 4.958,1176 3.938,1177 3.928,1178 3.969,1179 3.852,1180 3.849,1181 4.755,1182 3.847,1183 3.787,1184 3.845,1185 3.681,1186 3.632,1187 4.631,1188 3.633,1189 3.696,1190 3.754,1191 3.58,1192 3.486,1193 4.554,1194 3.501,1195 3.462,1196 3.519,1197 3.401,1198 3.326,1199 4.266,1200 3.335,1201 3.239,1202 3.309,1203 3.127,1204 3.066,1205 4.171,1206 3.066,1207 3.111,1208 3.206,1209 2.97,1210 2.941,1211 3.976,1212 2.915,1213 0.109,1214 0.079,1215 0.161,1216 0.099,1217 0.077,1218 4.696,1219 0.108,1220 3.381,1221 0.021,1222 6.903,1223 0.27,1224 4.24,1225 0.073,1226 3.29,1227 4.642,1228 0.916,1229 11.618,1230 3.124,1231 1.978,1232 1.952,1233 2.083,1234 2.11,1235 1.426,1236 2.097,1237 1.928,1238 1.893,1239 2.04,1240 2.05,1241 1.223,1242 2.053,1243 1.838,1244 1.796,1245 1.989,1246 1.971,1247 1.164,1248 1.972,1249 1.774,1250 1.722,1251 1.934,1252 1.95,1253 1.139,1254 1.956,1255 1.585,1256 1.536,1257 1.721,1258 1.792,1259 0.891,1260 1.775,1261 1.483,1262 1.421,1263 1.658,1264 1.688,1265 0.825,1266 1.686,1267 1.316,1268 1.238,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.153,1274 1.091,1275 1.513,1276 1.376,1277 0.729,1278 1.429,1279 4.466,1281 5.802,1282 3.045,1283 7.339,1284 5.352,1285 8.964,1286 7.424,1287 10.638,1295 8.308,1297 5.626,1299 0.331,1300 4.865,1305 43.186,1306 99.834,1307 250.654,1308 326.663,1309 359.193,1310 363.947,1311 363.947,1312 45.254,1313 9.105,1314 75.1,1315 75.1,1316 40,1317 13.057,1318 4.755,1319 3.807,1320 46.65,1321 166,1322 209,1323 0.131,1324 256.55,1325 425.99,1326 617.741,1327 129286,1329 24.606,1330 0.665,1331 0.564,1332 24.606,1333 20.884,1334 18.315,1335 0.426,1336 0.308,1337 13.049,1338 17.628,1339 12.837,1340 10.505,1341 18.315,1342 13.235,1343 16.407,1344 0.269,1345 0.165,1346 16.407,1347 10.069,1348 14.774,1349 0.172,1350 0.09,1351 14.774,1352 7.708,1353 12.97,1354 0.109,1355 0.048,1356 12.97,1357 5.679,1358 10.833,1359 0.069,1360 0.026,1361 10.833,1362 4.069,1363 0.205,1364 114.338,1365 0.181,1366 33.6,1367 0.362,1368 208,1369 509.939,1370 225.838,1371 497.352,1372 711.58,1373 474,1374 251,1375 550.338,1376 271.892,1377 556.127,1378 826.68,1379 527,1380 5.997}
{0 CHEMBL572878,1 1.625,2 12.697,3 4.445,4 19.761,5 134.268,6 7.617,7 0.459,8 4.223,9 4.36,10 3.852,11 3.746,12 5.264,13 3.713,14 4.754,15 4.955,16 4.209,17 4.106,18 5.761,19 4.045,20 4.954,21 5.18,22 4.195,23 4.222,24 5.917,25 4.121,26 5.007,27 5.26,28 4.138,29 4.196,30 5.957,31 4.072,32 4.907,33 5.156,34 4.169,35 4.155,36 5.872,37 4.06,38 4.828,39 5.024,40 4.211,41 4.193,42 5.828,43 4.088,44 4.877,45 5.098,46 4.185,47 4.188,48 5.82,49 4.069,50 4.879,51 5.109,52 4.1,53 4.188,54 5.766,55 4.061,56 0.058,57 1.019,58 13.326,59 5.246,60 8.981,61 7.112,62 0.337,63 1.582,64 26.662,65 8.349,66 28.572,67 11.98,68 0.383,69 1.783,70 34.938,71 10.824,72 36.022,73 14.782,74 0.476,75 1.767,76 39.027,77 11.848,78 54.352,79 16.633,80 0.399,81 1.668,82 35.152,83 10.423,84 44.42,85 14.572,86 0.305,87 1.694,88 33.497,89 10.442,90 33.706,91 13.463,92 0.467,93 1.725,94 36.591,95 10.82,96 34.713,97 14.386,98 0.214,99 1.664,100 32.442,101 11.143,102 27.062,103 15.27,104 10,105 52,106 0.261,107 0.597,108 0.766,109 0.828,110 0.828,111 0.828,112 3.532,113 0.976,114 -5.31,115 -5.2,116 -4.86,119 37.7,120 1,121 2,122 1,124 1,125 4,142 6,144 2,147 3,150 1,152 1,158 1,168 1,172 5,174 2,175 7,178 3,180 7,183 5,186 1,187 3,191 1,192 4,195 4,198 2,199 9,202 2,204 2,207 4,211 1,212 7,215 1,217 2,220 6,223 2,224 6,229 2,232 8,236 1,237 4,240 5,242 3,245 3,250 4,258 5,262 3,263 7,266 1,267 1,268 3,271 2,275 2224,276 22.375,277 22.375,278 22.375,279 22.375,280 22.375,281 20.203,282 36.777,283 13.122,284 23.1,285 18.315,286 18.315,287 18.315,288 18.315,289 18.315,290 14.949,291 58.816,292 6.359,293 19.516,294 4.306,295 2.217,296 1.164,297 0.779,298 0.779,299 0.779,300 4.231,305 1,306 927,307 3.317,308 72.439,310 100.105,311 349.914,318 1.967,319 24.624,322 1,323 0.67,324 1,325 1,326 1,327 1,328 1,329 0.95,330 71,331 419,332 4.296,333 4.555,334 6.219,335 3.918,336 2.984,337 3.915,338 2.95,339 9.411,340 2.913,341 4.12,342 3.735,343 6.118,344 3.897,345 2.914,346 3.699,347 1.907,348 8.907,349 2.739,350 4.076,351 3.235,352 5.696,353 3.665,354 2.721,355 3.637,356 0.8,357 7.983,358 2.57,359 3.943,360 3.028,361 5.581,362 3.594,363 2.66,364 3.172,365 0.8,366 7.678,367 2.505,368 3.693,369 2.884,370 5.379,371 3.413,372 2.481,373 2.896,374 0.4,375 7.062,376 2.291,377 3.5,378 2.628,379 5.177,380 3.162,381 2.251,382 2.761,383 0.149,384 6.512,385 2.027,386 3.32,387 2.511,388 5.019,389 3.097,390 2.176,391 2.502,393 6.016,394 1.996,395 3.23,396 2.424,397 4.854,398 2.839,399 1.918,400 2.339,402 5.566,403 1.749,404 2.999,405 2.266,406 4.523,407 2.585,408 1.643,409 2.164,411 4.641,412 1.544,413 2.827,414 1.902,415 4.241,416 2.497,417 1.485,418 1.806,420 3.873,421 1.478,422 2.525,423 1.496,424 4.212,425 2.22,426 1.296,427 1.529,428 3.71,429 1.194,430 2.5,431 1.146,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.207,439 1.035,440 3.414,441 1.967,442 1,443 1.069,445 2.275,446 0.965,447 2,448 1,449 3.274,450 1.713,451 0.73,452 1,454 1.735,455 0.716,456 1.524,457 0.772,458 3.035,459 1.145,460 0.243,461 0.294,463 0.623,464 0.213,465 15.867,466 0.481,467 0.831,468 0.025,469 42.25,470 1.28,471 19.5,472 0.591,473 22.75,474 0.689,475 29.594,476 0.897,477 35.733,478 0.586,479 31.31,480 0.949,481 7.95,482 0.241,483 8.063,484 0.244,485 0.084,487 0.334,493 0.846,494 1.424,495 0.766,496 1.035,497 0.61,498 0.965,499 0.844,500 1.167,501 0.835,502 0.974,503 0.529,504 0.932,505 1.259,506 1.066,507 1.108,508 1.013,509 1.154,510 1.008,511 1.025,512 0.973,513 0.987,514 0.99,515 1.167,516 0.955,517 1.077,518 0.918,519 0.916,520 0.826,521 1.004,522 0.76,523 1.123,524 1.263,525 1.39,526 1.299,527 0.981,528 1.1,529 0.858,530 1.033,531 1.346,532 1.267,533 0.643,534 1.09,535 0.802,536 1.164,537 1.033,538 1.101,539 0.55,540 1.055,541 8,542 0.237,543 2.5,544 2.201,545 1.293,546 1.042,547 0.754,548 0.535,549 0.315,550 0.309,551 17151,552 40945,553 2.15,554 45.9,555 4,556 17,559 3,560 4,564 1.755,565 2.041,566 3.619,567 0.892,573 99.127,574 1.625,575 3.714,576 4.766,577 5.152,578 5.152,579 5.152,580 3.068,581 4.378,582 5.01,583 3.837,584 2025.97,585 8.795,586 31258.6,591 361.775,592 1.301,593 4.989,594 0.216,595 0.007,596 0.051,597 0.047,598 0.03,599 0.022,600 0.016,601 0.012,602 0.007,603 0.008,604 0.417,605 0.17,606 0.75,607 0.467,608 176.508,609 -0.01,610 -0.188,611 0.077,612 -0.02,613 -0.007,614 0.006,615 0.139,616 -0.033,617 0.116,618 0.01,619 0.159,620 0.02,621 -0.162,622 0.003,623 -0.073,624 -0.002,625 -0.114,626 -0.049,627 0.017,628 0.004,629 0.057,630 0.025,631 -0.013,632 0.033,633 -0.045,634 0.101,635 0.152,636 0.198,637 -0.001,638 0.219,639 -0.129,640 -0.104,641 -0.135,642 -0.1,643 -0.103,644 -0.104,645 0.05,646 0.097,647 -0.104,648 -0.1,649 -0.06,650 -0.096,651 -0.062,652 -0.122,653 -0.004,654 -0.032,655 -0.02,656 -0.039,657 1.553,658 4.99,659 0.788,660 40.854,661 1.001,662 1.136,663 4.08,664 16.644,665 0.668,666 3.638,667 3.97,668 4.159,669 4.407,670 4.595,671 4.682,672 4.844,673 5.024,674 5.159,675 5.278,676 7.753,677 0.629,678 464.66,679 3.638,680 5.187,681 6.028,682 6.901,683 7.753,684 8.627,685 9.484,686 10.359,687 11.219,688 12.094,689 13.1,692 1,695 1,696 1,697 2,699 3,704 6,705 3,706 1,709 7,711 17,724 1,726 1,731 61,733 18,734 1,735 37,737 65,738 23,739 13,740 2,741 4,746 5,747 5,752 1,755 2,756 1,758 2,761 14,762 9,763 1,766 1,771 1,775 1,781 28,782 8,783 3,784 10,785 1,790 8,794 1,795 1,803 1,806 1,809 1,811 1,812 3,826 1,836 1,840 5,841 1,842 1,844 2,848 33,854 6,855 2,857 1,858 1,859 2,870 1.6,873 1,877 16.167,878 11.417,879 7.056,880 3.693,881 2.816,882 1.358,883 1.006,884 6.649,885 10.683,886 3.861,887 4.422,888 4.882,889 5.42,890 5.838,891 6.062,892 6.481,893 6.912,894 7.276,895 7.623,896 1,897 47,898 12.207,900 5.202,901 7.591,902 23.779,904 19.859,905 2.091,906 69,910 294.278,911 139.236,912 109.167,914 25.145,916 32.22,917 107.017,918 319.422,919 109.167,920 17.222,921 31.503,922 56.857,923 80.084,924 45.23,925 10.434,926 326.497,928 294.278,929 216.184,930 25.145,931 32.22,933 294.278,934 25.145,937 78.819,938 87.131,939 50.234,940 32.22,941 294.278,942 134.312,943 139.236,946 294.278,947 65.157,948 80.328,949 52.685,950 75.379,951 294.278,952 134.312,953 139.236,955 0.587,956 0.316,957 0.165,958 0.088,959 26,960 11,961 0.108,962 7,964 1,965 4.587,966 303.604,968 26,969 156.465,970 1,974 22.356,975 9.816,976 6.121,978 117.649,979 11.763,980 13.842,981 2.949,984 5.813,986 52.685,987 567.826,988 46.5,993 11.99,997 0.114,999 61.054,1000 69.268,1001 0.274,1002 0.626,1003 0.804,1004 0.869,1005 0.869,1006 0.869,1007 5.113,1008 1.918,1009 6.009,1010 6.016,1011 4.654,1012 5.109,1013 3.284,1014 6.774,1015 4.534,1016 6.305,1017 1.643,1018 7.54,1019 5.566,1020 4.29,1021 4.879,1022 1.738,1023 7.564,1024 4.114,1025 7.596,1026 1.485,1027 9.158,1028 4.641,1029 6.232,1030 7.194,1031 5.14,1032 10.572,1033 5.999,1034 8.911,1035 1.296,1036 10.825,1037 3.873,1038 6.594,1039 7.692,1040 3.061,1041 12.103,1042 6.317,1043 10.251,1044 1,1045 12.521,1046 3.71,1047 8.043,1048 9.528,1049 7.226,1050 14.633,1051 7.715,1052 11.607,1053 1,1054 14.238,1055 2.275,1056 8.746,1057 10.383,1058 4.414,1059 16.504,1060 8.384,1061 12.976,1062 0.73,1063 15.97,1064 2.275,1065 9.981,1066 11.996,1067 9.364,1068 18.844,1069 9.574,1070 2.984,1071 0.243,1072 17.714,1073 1.735,1074 10.859,1075 13.049,1076 5.75,1077 20.885,1078 10.421,1079 2.914,1080 9.411,1081 19.467,1082 0.623,1083 11.997,1084 14.545,1085 11.518,1086 23.146,1087 11.519,1088 2.721,1089 8.907,1090 21.228,1091 3.915,1092 12.964,1093 15.712,1094 7.068,1095 25.272,1096 12.457,1097 2.66,1098 7.983,1099 22.996,1100 3.699,1101 14.058,1102 17.142,1103 13.678,1104 27.502,1105 13.516,1106 2.481,1107 7.678,1108 24.77,1109 3.637,1110 15.073,1111 18.377,1112 8.374,1113 29.673,1114 14.502,1115 2.251,1116 7.062,1117 26.549,1118 3.172,1119 16.149,1120 19.77,1121 15.84,1122 31.892,1123 15.546,1124 2.176,1125 6.512,1126 28.332,1127 2.896,1128 17.189,1129 21.046,1130 9.674,1131 34.087,1132 16.558,1133 15830,1134 24682,1135 25.255,1136 40.762,1137 55.819,1138 58.537,1139 56.152,1140 55.046,1141 55.005,1142 68.565,1143 14.012,1144 156.537,1145 51.804,1146 5.296,1147 6.555,1148 5.633,1149 5.07,1150 4.984,1151 6.915,1152 5.9,1153 15.729,1154 4.913,1155 13.885,1156 1.509,1157 1.582,1158 1.518,1159 1.488,1160 1.487,1161 1.853,1162 0.379,1163 4.231,1164 1.4,1165 4.008,1166 4.06,1167 4.088,1168 3.907,1169 7.428,1170 3.894,1171 3.935,1172 3.984,1173 3.883,1174 3.782,1175 5.054,1176 3.793,1177 3.868,1178 3.934,1179 3.827,1180 3.755,1181 4.914,1182 3.752,1183 3.83,1184 3.87,1185 3.761,1186 3.666,1187 4.72,1188 3.686,1189 3.682,1190 3.748,1191 3.619,1192 3.503,1193 4.373,1194 3.511,1195 3.208,1196 3.302,1197 3.346,1198 3.073,1199 4.212,1200 3.029,1201 3.189,1202 3.249,1203 3.037,1204 2.941,1205 4.07,1206 2.936,1207 3.111,1208 3.206,1209 3.006,1210 2.93,1211 3.92,1212 2.91,1213 0.116,1214 0.123,1215 0.168,1216 0.106,1217 0.081,1218 4.296,1219 0.106,1220 4.555,1221 0.08,1222 6.219,1223 0.254,1224 3.918,1225 0.079,1226 2.984,1227 3.915,1228 2.95,1229 9.411,1230 2.913,1231 1.896,1232 1.872,1233 1.997,1234 2.049,1235 1.29,1236 2.039,1237 1.824,1238 1.766,1239 1.971,1240 1.972,1241 1.089,1242 1.981,1243 1.662,1244 1.601,1245 1.81,1246 1.869,1247 0.897,1248 1.851,1249 1.573,1250 1.516,1251 1.744,1252 1.786,1253 0.846,1254 1.783,1255 1.392,1256 1.362,1257 1.548,1258 1.611,1259 0.825,1260 1.589,1261 1.286,1262 1.204,1263 1.533,1264 1.579,1265 0.825,1266 1.55,1267 1.153,1268 1.064,1269 1.513,1270 1.427,1271 0.803,1272 1.448,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.623,1278 1.429,1279 4.317,1280 1.946,1281 5.645,1282 3.932,1283 7.146,1284 5.82,1285 8.721,1286 7.63,1287 10.336,1289 4.105,1295 5.843,1296 6.274,1298 1.502,1299 0.189,1300 4.617,1305 38.341,1306 99.127,1307 226.535,1308 290.755,1309 314.265,1310 314.265,1311 314.265,1312 48.478,1313 7.867,1314 102.07,1315 127.37,1316 26,1317 12.637,1318 4.248,1319 3.392,1320 47.709,1321 148,1322 162,1323 0.149,1324 237.562,1325 403.5,1326 571.412,1327 28604,1329 22.786,1330 0.69,1331 0.596,1332 23.139,1333 19.653,1334 16.013,1335 0.433,1336 0.325,1337 11.12,1338 14.889,1339 10.765,1340 8.913,1341 16.421,1342 12.037,1343 14.912,1344 0.287,1345 0.186,1346 15.607,1347 9.676,1348 11.612,1349 0.184,1350 0.101,1351 12.316,1352 6.345,1353 9.615,1354 0.119,1355 0.053,1356 10.408,1357 4.318,1358 7.449,1359 0.076,1360 0.031,1361 8.286,1362 2.992,1363 0.236,1364 104.552,1365 0.199,1366 31.013,1367 0.402,1368 178,1369 481.82,1370 222.991,1371 491.773,1372 682.75,1373 462,1374 207,1375 501.549,1376 245.856,1377 522.965,1378 762.14,1379 491,1380 5}
{0 CHEMBL572881,1 1.481,2 11.607,3 2.721,4 7.405,5 112.492,6 7.324,7 0.581,8 4.026,9 4.158,10 3.583,11 3.584,12 5.127,13 3.56,14 4.543,15 4.722,16 3.947,17 3.989,18 5.597,19 3.943,20 4.804,21 5.002,22 3.986,23 4.133,24 5.824,25 4.048,26 4.944,27 5.207,28 3.872,29 4.072,30 5.953,31 3.953,32 4.791,33 5.051,34 3.727,35 3.926,36 5.79,37 3.819,38 4.617,39 4.86,40 3.735,41 3.836,42 5.672,43 3.762,44 4.517,45 4.719,46 3.767,47 3.836,48 5.639,49 3.782,50 4.591,51 4.81,52 3.688,53 3.821,54 5.705,55 3.736,56 0.04,57 0.782,58 10.48,59 4.319,60 8.837,61 5.92,62 0.184,63 1.248,64 19.045,65 7.308,66 22.805,67 10.274,68 0.136,69 1.538,70 25.469,71 9.702,72 26.884,73 13.703,74 0.465,75 1.622,76 32.551,77 10.79,78 57.557,79 15.809,80 0.314,81 1.36,82 28.07,83 9.36,84 48.465,85 13.434,86 0.287,87 1.179,88 23.119,89 7.743,90 40.926,91 11.076,92 0.197,93 1.146,94 19.533,95 6.735,96 31.198,97 9.43,98 0.234,99 1.158,100 21.817,101 7.857,102 41.779,103 10.85,104 10,105 44,106 0.247,107 0.6,108 0.767,109 0.84,110 0.849,111 0.849,112 3.374,113 0.9,114 -4.02,115 -3.97,116 -3.76,119 43.1,120 2,123 1,125 2,142 7,143 3,144 2,145 3,147 1,158 1,172 9,175 5,178 2,180 8,183 9,187 3,192 8,195 5,198 1,199 4,202 2,203 2,204 4,207 7,212 3,215 1,217 1,220 6,224 4,227 1,229 6,232 7,236 1,237 5,242 4,245 5,250 4,253 1,254 1,255 2,258 6,262 1,263 2,266 1,268 1,271 8,275 1276,276 18.886,277 18.886,278 18.886,279 18.886,280 18.886,281 16.606,282 27.538,283 11.14,284 19.161,285 15.315,286 15.315,287 15.315,288 15.315,289 15.315,290 11.861,291 44.521,292 5.303,293 15.732,294 4.191,295 2.071,296 1.072,297 0.633,298 0.579,299 0.579,300 4.071,304 1,305 1,306 711,307 3.464,310 67.027,311 258.362,314 115.361,318 1.893,319 21.663,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 59.5,331 325,332 4.62,333 3.691,334 7.414,335 4.461,336 3.468,337 4.097,338 1.058,339 12.923,340 3.444,341 4.343,342 3.599,343 6.456,344 3.983,345 3,346 3.938,347 0.657,348 9.967,349 2.948,350 3.903,351 2.84,352 5.753,353 3.555,354 2.581,355 3.442,356 0.4,357 7.943,358 2.516,359 3.866,360 2.65,361 5.364,362 3.49,363 2.501,364 3.207,366 6.992,367 2.472,368 3.436,369 2.551,370 5.273,371 3.086,372 2.119,373 2.651,375 6.511,376 2.039,377 3.176,378 2.121,379 4.891,380 2.802,381 1.829,382 2.356,384 5.299,385 1.772,386 2.975,387 1.707,388 4.478,389 2.52,390 1.563,391 2.157,393 3.961,394 1.495,395 2.861,396 1.594,397 3.899,398 2.418,399 1.441,400 2.017,402 3.345,403 1.405,404 2.796,405 1.483,406 3.625,407 2.367,408 1.414,409 1.899,411 3.056,412 1.343,413 2.538,414 1.312,415 3.572,416 2.003,417 1.021,418 1.5,420 2.548,421 0.995,422 2.5,423 1,424 3.417,425 1.984,426 1,427 1.492,428 2.136,429 0.983,430 1.885,431 0.886,432 3.247,433 1.658,434 0.703,435 0.809,436 1.687,437 0.67,438 1.849,439 0.805,440 3.076,441 1.554,442 0.618,443 0.736,445 1.424,446 0.577,447 1.242,448 0.515,449 2.836,450 0.914,451 -0.066,452 -0.081,454 -0.176,455 -0.064,456 1.019,457 -0.033,458 2.601,459 0.638,460 -0.337,461 -0.424,463 -0.809,464 -0.327,465 13.333,466 0.476,467 0.731,468 0.026,469 39.25,470 1.402,471 21,472 0.75,473 18.25,474 0.652,475 21.429,476 0.765,477 29.267,478 0.574,479 28.421,480 1.015,481 7.608,482 0.272,483 5.919,484 0.211,485 0.1,486 0.038,487 0.263,493 0.851,494 1.272,495 0.813,496 1.011,497 0.646,498 0.917,499 0.772,500 1.068,501 0.839,502 0.937,503 0.592,504 0.896,505 0.956,506 1.36,507 1.083,508 1.279,509 0.876,510 1.21,511 0.96,512 0.914,513 1.017,514 0.985,515 0.922,516 1.001,517 1.313,518 0.914,519 0.994,520 0.919,521 1.495,522 0.922,523 1.279,524 0.903,525 0.859,526 0.788,527 1.47,528 0.78,529 1.338,530 1.044,531 1.029,532 0.992,533 1.323,534 0.969,535 1.328,536 1.077,537 1.05,538 1.104,539 1.683,540 1.067,541 6,542 0.119,543 3.556,544 2.264,545 1.062,546 0.934,547 0.409,548 0.395,549 0.302,550 0.217,551 10560,552 24984,553 2.106,554 45.1,555 6,556 11,558 3,559 3,564 1.709,565 1.988,566 3.504,567 0.882,568 1,569 1,573 75.535,574 1.481,575 3.602,576 4.6,577 5.04,578 5.094,579 5.094,580 2.968,581 4.45,582 4.779,583 3.68,584 1391.12,585 8.303,586 18665.1,588 1,590 1,591 289.294,592 1.454,593 4.74,594 0.194,595 0.006,596 0.081,597 0.053,598 0.029,599 0.029,600 0.012,601 0.011,602 0.01,603 0.009,604 0.433,605 0.33,606 1,607 0.517,608 141.664,609 -0.068,610 -0.095,611 0.042,612 0.008,613 -0.06,614 0.035,615 0.08,616 0.044,617 0.066,618 0.06,619 0.081,620 0.062,621 -0.069,622 -0.317,623 -0.158,624 -0.282,625 -0.038,626 -0.24,627 0.141,628 0.055,629 -0.004,630 -0.034,631 0.123,632 -0.035,633 -0.083,634 0.026,635 0.028,636 0.046,637 -0.089,638 0.051,639 -0.018,640 0.067,641 0.152,642 0.182,643 -0.012,644 0.187,645 -0.122,646 0.028,647 -0.067,648 -0.031,649 -0.076,650 -0.035,651 -0.028,652 -0.099,653 -0.062,654 -0.12,655 -0.054,656 -0.103,657 1.859,658 5.852,659 0.75,660 26.827,661 0.996,662 1.126,663 2.789,664 7.781,665 0.673,666 3.466,667 3.807,668 4.06,669 4.304,670 4.466,671 4.477,672 4.605,673 4.71,674 4.754,675 4.787,676 6.9,677 0.638,678 373.5,679 3.466,680 5.017,681 5.866,682 6.751,683 7.615,684 8.505,685 9.376,686 10.268,687 11.143,688 12.038,689 9.8,694 2,696 1,699 2,704 10,705 2,709 6,711 18,718 1,724 2,731 51,733 19,734 1,735 31,737 54,738 22,739 16,740 3,741 3,742 1,746 4,747 5,752 2,753 1,754 1,761 17,762 5,766 1,771 1,775 1,778 1,781 23,782 6,783 3,784 6,790 5,794 0.75,795 1,805 2,811 1,812 3,815 1,840 3,844 2,848 28,854 2,855 3,860 1,870 2,873 1,877 14.083,878 9.65,879 6.042,880 2.931,881 3.416,882 1.45,883 0.993,884 5.014,885 11.011,886 3.738,887 4.324,888 4.866,889 5.389,890 5.86,891 5.928,892 6.235,893 6.524,894 6.781,895 7.063,896 0.875,897 43,898 10.338,900 4.394,901 7.658,902 19.865,904 16.412,905 2.158,906 60.417,909 1,910 235.422,911 137.441,912 87.603,914 25.145,917 137.441,918 260.567,919 87.603,920 17.65,921 22.222,922 66.334,923 134.755,924 42.212,925 2.328,926 200.109,928 235.422,929 225.044,930 25.145,933 235.422,934 25.145,937 67.015,938 88.437,939 69.593,941 235.422,942 112.748,943 137.441,946 235.422,947 26.314,948 111.126,949 54.032,950 58.716,951 235.422,952 112.748,953 137.441,955 0.587,956 0.339,957 0.18,958 0.092,959 22,960 9,961 0.093,962 5,963 1,964 1.095,965 4.038,966 241.147,967 0.095,968 21,969 128.606,974 18.454,975 7.608,976 4.026,978 112.748,979 18.561,980 8.347,984 5.233,986 54.032,987 485.611,988 41,993 12.852,997 -0.192,999 50.789,1000 57.438,1001 0.261,1002 0.635,1003 0.811,1004 0.888,1005 0.898,1006 0.898,1007 4.98,1008 1.441,1009 5.878,1010 3.961,1011 4.489,1012 5.011,1013 1.487,1014 6.725,1015 4.441,1016 6.194,1017 1.414,1018 7.465,1019 3.345,1020 4.205,1021 4.771,1023 7.921,1024 4.177,1025 7.51,1026 1.021,1027 9.169,1028 3.056,1029 6.159,1030 7.165,1031 1.369,1032 10.969,1033 6.084,1034 8.864,1035 1,1036 10.948,1037 2.548,1038 6.723,1039 7.711,1041 13.033,1042 6.67,1043 10.251,1044 0.703,1045 12.779,1046 2.136,1047 8.182,1048 9.599,1049 1.381,1050 15.695,1051 8.095,1052 11.662,1053 0.618,1054 14.647,1055 1.687,1056 9.119,1057 10.524,1059 18.071,1060 9.047,1061 13.093,1062 -0.066,1063 16.542,1064 1.424,1065 10.406,1066 12.18,1067 1.439,1068 20.641,1069 10.313,1070 3.468,1071 -0.337,1072 18.458,1073 -0.176,1074 11.507,1075 13.308,1077 23.128,1078 11.419,1079 3,1080 12.923,1081 20.39,1082 -0.809,1083 12.74,1084 14.843,1085 1.516,1086 25.679,1087 12.641,1088 2.581,1089 9.967,1090 22.335,1091 4.097,1092 13.911,1093 16.084,1095 28.207,1096 13.812,1097 2.501,1098 7.943,1099 24.291,1100 3.938,1101 15.133,1102 17.554,1103 1.602,1104 30.757,1105 15.025,1106 2.119,1107 6.992,1108 26.255,1109 3.442,1110 16.336,1111 18.86,1113 33.302,1114 16.225,1115 1.829,1116 6.511,1117 28.226,1118 3.207,1119 17.558,1120 20.295,1121 1.691,1122 35.854,1123 17.442,1124 1.563,1125 5.299,1126 30.202,1127 2.651,1128 18.777,1129 21.638,1131 38.406,1132 18.656,1133 9927,1134 15428,1135 20.86,1136 34.336,1137 47.109,1138 47.944,1139 47.121,1140 46.435,1141 46.516,1142 60.603,1143 4.231,1144 135.583,1145 45.316,1146 5.501,1147 5.691,1148 7.216,1149 5.503,1150 5.468,1151 7.097,1152 2.117,1153 20.548,1154 5.444,1155 11.85,1156 1.52,1157 1.547,1158 1.52,1159 1.498,1160 1.501,1161 1.955,1162 0.136,1163 4.374,1164 1.462,1165 4.048,1166 4.084,1167 3.994,1168 3.963,1169 7.429,1170 3.966,1171 3.93,1172 3.972,1173 3.877,1174 3.818,1175 4.925,1176 3.827,1177 3.836,1178 3.875,1179 3.779,1180 3.734,1181 4.853,1182 3.74,1183 3.571,1184 3.63,1185 3.466,1186 3.445,1187 4.784,1188 3.439,1189 3.25,1190 3.342,1191 3.165,1192 3.043,1193 4.258,1194 3.061,1195 3.243,1196 3.289,1197 3.116,1198 2.986,1199 4.12,1200 3.015,1201 3.091,1202 3.186,1203 2.917,1204 2.868,1205 3.894,1206 2.868,1207 2.874,1208 3.009,1209 2.687,1210 2.735,1211 3.826,1212 2.715,1213 0.149,1214 0.119,1215 0.239,1216 0.144,1217 0.112,1218 4.62,1219 0.132,1220 3.691,1221 0.034,1222 7.414,1223 0.417,1224 4.461,1225 0.111,1226 3.468,1227 4.097,1228 1.058,1229 12.923,1230 3.444,1231 1.925,1232 1.899,1233 2.028,1234 2.044,1235 1.272,1236 2.036,1237 1.876,1238 1.84,1239 1.993,1240 1.989,1241 1.107,1242 1.995,1243 1.804,1244 1.771,1245 1.914,1246 1.925,1247 1.022,1248 1.925,1249 1.641,1250 1.581,1251 1.851,1252 1.82,1253 0.948,1254 1.837,1255 1.208,1256 1.146,1257 1.463,1258 1.483,1259 0.548,1260 1.476,1261 1.177,1262 1.104,1263 1.417,1264 1.464,1265 0.537,1266 1.446,1267 1.049,1268 0.969,1269 1.415,1270 1.316,1271 0.469,1272 1.325,1273 0.934,1274 0.821,1275 1.282,1276 1.239,1277 0.286,1278 1.308,1279 4.143,1281 5.476,1282 2.398,1283 7.004,1284 4.844,1285 8.616,1286 7.018,1287 10.272,1289 4.418,1295 1.461,1296 9.634,1301 0.102,1305 32.563,1306 75.535,1307 183.694,1308 234.623,1309 257.029,1310 259.784,1311 259.784,1312 43.47,1313 7.595,1314 78.94,1315 78.94,1316 23,1317 12.568,1318 4.322,1319 3.459,1320 42.516,1321 115,1322 114,1323 0.176,1324 200.922,1325 344.41,1326 482.01,1327 22969,1329 19.562,1330 0.699,1331 0.571,1332 19.562,1333 15.99,1334 13.527,1335 0.436,1336 0.3,1337 9.2,1338 13.12,1339 8.896,1340 7.437,1341 13.527,1342 9.304,1343 12.576,1344 0.286,1345 0.172,1346 12.576,1347 7.561,1348 10.329,1349 0.181,1350 0.088,1351 10.329,1352 4.989,1353 8.636,1354 0.118,1355 0.046,1356 8.636,1357 3.384,1358 6.678,1359 0.078,1360 0.025,1361 6.678,1362 2.174,1363 0.28,1364 84.009,1365 0.219,1366 26.964,1367 0.475,1368 150,1369 388.024,1370 160.874,1371 385.928,1372 535.3,1373 362,1374 176,1375 399.848,1376 187.319,1377 411.351,1378 596.84,1379 386,1380 5}
{0 CHEMBL572932,1 1.877,2 11.226,3 2.093,4 4.381,5 105.805,6 8.538,7 0.471,8 4.079,9 4.203,10 3.741,11 3.49,12 5.266,13 3.538,14 4.653,15 4.83,16 4.18,17 3.864,18 6.232,19 3.907,20 4.825,21 5.034,22 4.128,23 3.989,24 6.034,25 3.991,26 4.822,27 5.034,28 4.162,29 4.012,30 6.096,31 4.008,32 4.825,33 5.027,34 4.218,35 4.031,36 6.142,37 4.038,38 4.843,39 5.045,40 4.128,41 4.028,42 6.031,43 4.025,44 4.862,45 5.08,46 4.104,47 3.995,48 6.116,49 3.963,50 4.837,51 5.073,52 4.004,53 3.905,54 6.067,55 3.858,56 0.273,57 1.004,58 8.264,59 3.99,60 29.151,61 4.795,62 1.209,63 1.819,64 20.158,65 6.407,66 155.927,67 8.037,68 1.132,69 1.585,70 26.004,71 7.393,72 96.112,73 10.056,74 0.942,75 1.674,76 24.468,77 7.682,78 87.873,79 10.633,80 0.901,81 1.844,82 24.485,83 8.408,84 85.777,85 11.274,86 0.905,87 1.756,88 24.233,89 8.049,90 81.862,91 10.248,92 1.095,93 1.71,94 26.17,95 8.328,96 73.577,97 11.672,98 0.876,99 1.756,100 27.831,101 10.532,102 88.684,103 13.599,104 35,105 49,106 0.314,107 0.676,108 0.788,109 0.819,110 0.819,111 0.819,112 3.472,113 0.844,114 -4.17,115 -4.11,116 -3.89,119 37.3,124 1,125 5,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 4,174 3,175 7,178 2,179 1,180 2,183 4,186 2,187 4,192 2,195 2,198 5,199 8,204 3,207 1,211 1,212 8,217 2,220 2,224 7,227 2,229 1,232 2,236 3,237 3,249 2,250 2,253 4,255 1,263 2,266 1,275 1690,276 20.627,277 20.627,278 20.627,279 20.627,280 20.627,281 18.714,282 24.354,283 12.042,284 21.471,285 16.773,286 16.773,287 16.773,288 16.773,289 16.773,290 13.696,291 29.963,292 5.718,293 18.177,294 3.795,295 1.632,296 0.961,297 0.775,298 0.775,299 0.775,300 4.165,304 1,305 1,306 743,307 4,310 73.217,311 266.971,314 129.922,318 1.767,319 51.014,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 72,331 348,332 4.681,333 4.269,334 6.856,335 4.221,336 3.288,337 4.629,338 3.02,339 11.454,340 3.093,341 4.197,342 3.54,343 6.458,344 3.922,345 3.09,346 3.793,347 1.656,348 10.182,349 2.737,350 4.109,351 3.342,352 6.107,353 3.761,354 2.789,355 3.355,356 0.86,357 8.937,358 2.557,359 3.843,360 2.892,361 6.039,362 3.525,363 2.622,364 3.165,365 0.8,366 8.65,367 2.416,368 3.807,369 2.786,370 5.465,371 3.481,372 2.519,373 3.013,374 0.247,375 7.315,376 2.308,377 3.455,378 2.423,379 5.091,380 3.038,381 2.057,382 2.689,384 5.742,385 2.005,386 3.146,387 2.311,388 4.781,389 2.863,390 1.934,391 2.236,393 5.326,394 1.781,395 2.961,396 1.868,397 4.421,398 2.441,399 1.493,400 2.164,402 4.264,403 1.412,404 2.709,405 1.535,406 4.341,407 2.341,408 1.44,409 1.78,411 3.843,412 1.287,413 2.5,414 1.288,415 3.761,416 2.066,417 1.155,418 1.5,420 2.905,421 1.046,422 2.466,423 1.256,424 3.433,425 2,426 1,427 1.459,428 2.275,429 1,430 2.083,431 1.1,432 3.414,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1,440 3.247,441 1.696,442 0.788,443 0.994,445 2.042,446 0.712,447 1.52,448 0.915,449 3.12,450 1.33,451 0.404,452 0.432,454 0.63,455 0.372,456 1.33,457 0.51,458 2.892,459 0.931,460 -0.039,461 -0.049,463 -0.091,464 -0.037,465 13.824,466 0.446,467 0.921,468 0.03,469 38.5,470 1.242,471 16.5,472 0.532,473 22,474 0.71,475 26.003,476 0.839,477 35.376,478 0.694,479 33.89,480 1.093,481 7.984,482 0.258,483 6.853,484 0.221,485 0.122,486 0.036,487 0.311,490 3,493 0.671,494 1.257,495 0.637,496 1.247,497 0.578,498 1.001,499 0.641,500 0.8,501 0.743,502 0.864,503 0.405,504 0.844,505 0.901,506 0.836,507 0.983,508 0.862,509 0.831,510 0.929,511 0.633,512 0.755,513 0.86,514 0.934,515 0.608,516 0.97,517 0.682,518 1.019,519 0.742,520 1.069,521 0.669,522 0.967,523 0.91,524 1.03,525 1.069,526 1.113,527 0.781,528 1.129,529 0.601,530 0.792,531 0.968,532 1.104,533 0.567,534 1.172,535 0.65,536 1.158,537 0.766,538 1.353,539 0.706,540 1.2,541 7.5,542 0.277,543 3.333,544 1.882,545 1.728,546 1.612,547 0.85,548 0.611,549 0.461,550 0.272,551 11981,552 44119,553 2.057,554 39.2,556 17,558 1,559 2,564 1.742,565 1.908,566 3.403,567 0.353,569 1,573 95.738,574 1.877,575 4.041,576 4.711,577 4.898,578 4.898,579 4.898,580 2.882,581 4.478,582 4.917,583 3.621,584 1683.73,585 8.628,586 23605.6,588 1,590 1,591 289.294,592 1.595,593 4.87,594 0.221,595 0.012,596 0.068,597 0.039,598 0.035,599 0.031,600 0.018,601 0.014,602 0.012,603 0.008,604 0.459,605 0.33,606 1,607 1.254,608 159.597,609 -0.065,610 -0.228,611 0.041,612 -0.153,613 -0.075,614 -0.044,615 0.253,616 0.219,617 0.117,618 0.12,619 0.37,620 0.074,621 -0.087,622 0.071,623 -0.087,624 0.107,625 -0.096,626 0.033,627 0.029,628 0.088,629 -0.003,630 0.023,631 0.017,632 -0.001,633 0.054,634 -0.093,635 0.13,636 -0.04,637 0.057,638 0.045,639 -0.167,640 -0.095,641 -0.215,642 -0.125,643 -0.104,644 -0.163,645 0.144,646 0.1,647 -0.071,648 -0.121,649 0.06,650 -0.178,651 0.149,652 -0.254,653 0.213,654 -0.28,655 0.098,656 -0.093,657 5.684,658 5.033,659 0.677,660 34.117,661 1.039,662 1.162,663 2.937,664 8.624,665 0.644,666 3.555,667 3.912,668 4.143,669 4.454,670 4.736,671 4.898,672 5.142,673 5.308,674 5.416,675 5.521,676 6.735,677 0.646,678 435.46,679 3.555,680 5.118,681 5.964,682 6.864,683 7.736,684 8.644,685 9.531,686 10.444,687 11.341,688 12.257,689 13.7,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 51,733 17,734 1,735 34,737 54,738 19,739 11,740 2,741 4,746 4,747 5,751 1,752 1,757 1,761 12,762 7,766 1,771 1,775 1,778 1,779 3,781 20,782 11,783 2,784 12,790 7,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,844 1,846 3,848 31,854 5,855 2,856 1,859 1,860 1,869 3,870 3.9,873 1,874 1,877 16.25,878 9.429,879 6.681,880 2.911,881 3.155,882 1.4,883 0.992,884 6.098,885 11.042,886 3.784,887 4.391,888 4.967,889 5.618,890 6.208,891 6.655,892 7.185,893 7.644,894 7.978,895 8.369,896 1,897 48,898 11.913,900 5.555,901 8.239,902 21.026,904 17.066,905 2.739,906 84.917,910 211.88,911 97.772,912 91.156,914 36.145,915 44.88,917 97.772,918 248.025,919 136.037,920 8.396,921 51.523,922 37.905,923 99.865,924 69.672,925 6.604,926 200.109,927 7.76,928 211.88,929 188.929,930 81.025,933 214.208,934 70.025,935 11,937 71.822,938 64.545,939 50.234,941 256.76,942 127.301,943 97.772,946 219.639,947 34.664,948 60.25,949 36.022,950 131.259,951 211.88,952 172.182,953 97.772,955 0.587,956 0.318,957 0.172,958 0.102,959 24,960 11,961 0.074,962 4,963 1,964 1.095,965 4.102,966 287.946,967 0.095,968 21,969 140.825,974 21.503,975 8.792,976 4.958,977 0.559,978 170.405,979 8.088,980 12.929,984 1.937,985 0.839,986 36.022,987 481.834,988 43,993 11.46,997 -0.365,999 52.974,1000 59.248,1001 0.331,1002 0.712,1003 0.831,1004 0.863,1005 0.863,1006 0.863,1007 5.05,1008 1.493,1009 5.989,1010 5.326,1011 4.595,1012 5.078,1013 3.087,1014 6.836,1015 4.447,1016 6.273,1017 1.44,1018 7.571,1019 4.264,1020 4.369,1021 5.017,1022 3.192,1023 7.941,1024 4.076,1025 7.601,1026 1.155,1027 9.256,1028 3.843,1029 6.267,1030 7.305,1031 4.666,1032 10.957,1033 5.962,1034 8.963,1035 1,1036 11.002,1037 2.905,1038 6.815,1039 8.057,1040 5.505,1041 12.827,1042 6.369,1043 10.356,1044 1,1045 12.785,1046 2.275,1047 8.237,1048 9.875,1049 6.696,1050 15.424,1051 7.764,1052 11.771,1053 0.788,1054 14.593,1055 2.136,1056 9.116,1057 11.017,1058 7.734,1059 17.596,1060 8.525,1061 13.203,1062 0.404,1063 16.419,1064 2.042,1065 10.363,1066 12.652,1067 8.859,1068 20.058,1069 9.727,1070 3.288,1071 -0.039,1072 18.258,1073 0.63,1074 11.393,1075 13.991,1076 9.948,1077 22.36,1078 10.661,1079 3.09,1080 11.454,1081 20.108,1082 -0.091,1083 12.576,1084 15.552,1085 11.057,1086 24.782,1087 11.79,1088 2.789,1089 10.182,1090 21.966,1091 4.629,1092 13.674,1093 16.989,1094 12.158,1095 27.143,1096 12.809,1097 2.622,1098 8.937,1099 23.83,1100 3.793,1101 14.837,1102 18.524,1103 13.264,1104 29.555,1105 13.913,1106 2.519,1107 8.65,1108 25.701,1109 3.355,1110 15.969,1111 20.008,1112 14.368,1113 31.945,1114 14.976,1115 2.057,1116 7.315,1117 27.576,1118 3.165,1119 17.129,1120 21.535,1121 15.474,1122 34.359,1123 16.077,1124 1.934,1125 5.742,1126 29.456,1127 3.013,1128 18.278,1129 23.042,1130 16.579,1131 36.765,1132 17.163,1133 11674,1134 22603,1135 22.364,1136 32.853,1137 51.675,1138 52.207,1139 52.383,1140 51.343,1141 51.155,1142 64.42,1143 13.166,1144 151.4,1145 47.343,1146 5.681,1147 6.269,1148 6.658,1149 5.325,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.093,1155 16.857,1156 1.52,1157 1.535,1158 1.541,1159 1.51,1160 1.505,1161 1.895,1162 0.387,1163 4.453,1164 1.392,1165 4.126,1166 4.177,1167 4.108,1168 3.968,1169 8.513,1170 3.994,1171 3.892,1172 3.929,1173 3.841,1174 3.793,1175 7.999,1176 3.801,1177 3.743,1178 3.804,1179 3.643,1180 3.506,1181 7.999,1182 3.527,1183 3.572,1184 3.636,1185 3.523,1186 3.28,1187 7.431,1188 3.327,1189 3.503,1190 3.559,1191 3.45,1192 3.215,1193 5.132,1194 3.258,1195 3.207,1196 3.28,1197 3.161,1198 2.987,1199 4.751,1200 3.01,1201 3.111,1202 3.206,1203 2.907,1204 2.941,1205 4.623,1206 2.91,1207 3.024,1208 3.104,1209 2.866,1210 2.735,1211 4.473,1212 2.746,1213 0.138,1214 0.126,1215 0.202,1216 0.124,1217 0.097,1218 4.681,1219 0.136,1220 4.269,1221 0.089,1222 6.856,1223 0.337,1224 4.221,1225 0.091,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.093,1231 1.951,1232 1.921,1233 2.029,1234 2.089,1235 1.223,1236 2.067,1237 1.798,1238 1.758,1239 1.935,1240 1.965,1241 1.108,1242 1.959,1243 1.621,1244 1.564,1245 1.767,1246 1.894,1247 0.973,1248 1.854,1249 1.487,1250 1.425,1251 1.696,1252 1.77,1253 0.825,1254 1.74,1255 1.423,1256 1.349,1257 1.629,1258 1.702,1259 0.782,1260 1.689,1261 1.153,1262 1.064,1263 1.513,1264 1.41,1265 0.688,1266 1.429,1267 1.114,1268 1.052,1269 1.285,1270 1.376,1271 0.322,1272 1.356,1273 0.965,1274 0.891,1275 1.181,1276 1.315,1277 0.23,1278 1.275,1279 4.234,1281 5.58,1282 2.398,1283 7.107,1284 4.727,1285 8.718,1286 6.843,1287 10.378,1289 1.504,1291 39.098,1295 0.87,1296 5.095,1297 5.379,1300 1.956,1301 -4.434,1305 32.944,1306 95.738,1307 206.069,1308 240.274,1309 249.784,1310 249.784,1311 249.784,1312 64.172,1313 7.886,1314 97.2,1315 97.2,1316 23,1317 12.772,1318 4.17,1319 3.322,1320 49.152,1321 122,1322 154,1323 0.196,1324 199.179,1325 346.79,1326 477.757,1327 27007,1328 5.9,1329 22.01,1330 0.71,1331 0.536,1332 19.51,1333 16.609,1334 14.837,1335 0.436,1336 0.281,1337 9.291,1338 13.799,1339 9.188,1340 7.503,1341 13.69,1342 9.561,1343 14.253,1344 0.291,1345 0.141,1346 11.897,1347 6.906,1348 10.847,1349 0.175,1350 0.077,1351 10.496,1352 4.744,1353 9.214,1354 0.108,1355 0.038,1356 8.68,1357 3.267,1358 7.808,1359 0.069,1360 0.02,1361 7.242,1362 2.259,1363 0.304,1364 96.234,1365 0.211,1366 28.815,1367 0.554,1368 166,1369 730.696,1370 202.541,1371 612.196,1372 804.2,1373 570,1374 194,1375 570.2,1376 223.909,1377 549.012,1378 824.07,1379 516,1380 6.712}
{0 CHEMBL572944,1 1.84,2 11.394,3 2.612,4 6.82,5 112.686,6 8.391,7 0.432,8 4.158,9 4.28,10 3.814,11 3.599,12 5.303,13 3.636,14 4.759,15 4.93,16 4.284,17 4.012,18 6.274,19 4.041,20 4.988,21 5.199,22 4.214,23 4.137,24 6.126,25 4.118,26 4.958,27 5.192,28 4.205,29 4.111,30 6.152,31 4.086,32 4.884,33 5.089,34 4.28,35 4.101,36 6.171,37 4.105,38 4.908,39 5.106,40 4.224,41 4.133,42 6.079,43 4.131,44 4.951,45 5.152,46 4.248,47 4.142,48 6.181,49 4.111,50 4.99,51 5.236,52 4.125,53 4.066,54 6.166,55 4.017,56 0.252,57 1.088,58 9.296,59 4.545,60 28.343,61 5.464,62 1.177,63 2.004,64 22.082,65 7.705,66 158.389,67 9.645,68 1.242,69 1.806,70 31.55,71 9.314,72 103.787,73 12.641,74 1.032,75 1.823,76 30.372,77 8.995,78 93.842,79 12.933,80 0.865,81 1.957,82 26.662,83 9.164,84 81.935,85 12.393,86 0.885,87 1.933,88 26.09,89 8.655,90 78.467,91 10.936,92 1.032,93 1.964,94 27.409,95 9.603,96 65.988,97 13.261,98 0.965,99 1.993,100 33.165,101 11.486,102 91.104,103 15.183,104 35,105 55,106 0.302,107 0.664,108 0.791,109 0.82,110 0.82,111 0.82,112 3.533,113 0.858,114 -4.6,115 -4.53,116 -4.26,119 38.2,121 2,124 1,125 3,127 2,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 2,183 4,186 2,187 6,192 2,195 2,198 5,199 8,204 3,207 1,211 1,212 10,217 2,220 4,224 7,227 2,229 1,232 2,236 3,237 9,245 2,249 2,250 2,253 4,255 1,258 4,263 2,266 1,271 4,275 1960,276 21.969,277 21.969,278 21.969,279 21.969,280 21.969,281 20.056,282 26.511,283 12.562,284 22.761,285 18.273,286 18.273,287 18.273,288 18.273,289 18.273,290 15.196,291 34.21,292 6.007,293 19.66,294 3.941,295 1.74,296 0.964,297 0.791,298 0.791,299 0.791,300 4.236,304 1,305 1,306 825,307 4.123,310 149.661,311 269.437,312 98.102,314 135.505,318 1.813,319 53.404,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 76,331 376,332 4.682,333 4.269,334 6.86,335 4.228,336 3.294,337 4.629,338 3.02,339 11.474,340 3.099,341 4.198,342 3.54,343 6.462,344 3.936,345 3.1,346 3.793,347 1.656,348 10.198,349 2.739,350 4.116,351 3.396,352 6.12,353 3.807,354 2.868,355 3.363,356 0.86,357 9.031,358 2.679,359 3.932,360 3.14,361 6.086,362 3.719,363 2.77,364 3.169,365 0.8,366 8.878,367 2.48,368 3.827,369 2.789,370 5.638,371 3.481,372 2.521,373 3.032,374 0.247,375 7.683,376 2.403,377 3.62,378 2.702,379 5.465,380 3.33,381 2.415,382 2.749,384 7.313,385 2.175,386 3.45,387 2.411,388 4.984,389 3.033,390 2.049,391 2.683,393 5.638,394 2.003,395 2.963,396 2.093,397 4.879,398 2.839,399 1.879,400 2.165,402 5.401,403 1.794,404 2.912,405 1.917,406 4.781,407 2.629,408 1.691,409 1.994,411 5.321,412 1.575,413 2.879,414 1.535,415 4.42,416 2.44,417 1.488,418 1.879,420 4.264,421 1.412,422 2.62,423 1.292,424 4.273,425 2.138,426 1.205,427 1.664,428 3.571,429 1.121,430 2.5,431 1.1,432 3.665,433 2,434 1,435 1.5,436 2.275,437 1,438 2.184,439 1,440 3.414,441 1.785,442 0.847,443 1.091,445 2.213,446 0.791,447 1.694,448 0.965,449 3.271,450 1.583,451 0.668,452 0.685,454 1.655,455 0.605,456 1.52,457 0.915,458 3.129,459 1.33,460 0.404,461 0.432,463 0.63,464 0.372,465 14.824,466 0.449,467 1.058,468 0.032,469 40,470 1.212,471 16.5,472 0.5,473 23.5,474 0.712,475 30.17,476 0.914,477 37.376,478 0.68,479 34.946,480 1.059,481 7.894,482 0.239,483 7.893,484 0.239,485 0.114,486 0.034,487 0.358,490 3,493 0.653,494 1.217,495 0.641,496 1.204,497 0.565,498 0.983,499 0.588,500 0.825,501 0.731,502 0.96,503 0.376,504 0.91,505 0.914,506 0.836,507 1.02,508 0.921,509 0.771,510 0.996,511 0.615,512 0.701,513 0.856,514 0.87,515 0.561,516 0.924,517 0.668,518 1.026,519 0.694,520 1.032,521 0.661,522 0.914,523 0.94,524 0.981,525 1.056,526 1.005,527 0.797,528 1.034,529 0.561,530 0.913,531 0.934,532 1.217,533 0.546,534 1.23,535 0.696,536 1.022,537 0.824,538 1.146,539 0.682,540 1.071,541 9,542 0.375,543 3.333,544 2.104,545 1.763,546 1.612,547 0.809,548 0.773,549 0.505,550 0.356,551 14721,552 49555,553 2.105,554 40,556 15,558 1,559 2,561 4,564 1.759,565 1.951,566 3.401,567 0.312,569 1,573 101.222,574 1.84,575 4.041,576 4.817,577 4.99,578 4.99,579 4.99,580 2.854,581 4.537,582 5.008,583 3.648,584 1925.99,585 8.813,586 28123.1,591 317.975,592 1.6,593 4.962,594 0.243,595 0.012,596 0.061,597 0.04,598 0.035,599 0.029,600 0.015,601 0.015,602 0.011,603 0.009,604 0.471,605 0.17,606 0.75,607 1.208,608 172.92,609 -0.054,610 -0.186,611 0.046,612 -0.111,613 -0.065,614 -0.02,615 0.275,616 0.202,617 0.115,618 0.045,619 0.374,620 0.024,621 -0.084,622 0.03,623 -0.104,624 0.05,625 -0.073,626 -0.022,627 0.041,628 0.097,629 0.046,630 0.064,631 0.042,632 0.058,633 0.073,634 -0.101,635 0.19,636 -0.01,637 0.069,638 0.096,639 -0.186,640 -0.025,641 -0.205,642 -0.028,643 -0.116,644 -0.086,645 0.162,646 0.012,647 -0.07,648 -0.21,649 0.061,650 -0.239,651 0.084,652 -0.145,653 0.152,654 -0.129,655 0.077,656 -0.007,657 5.685,658 5.143,659 0.697,660 37.096,661 1.034,662 1.158,663 3.374,664 11.386,665 0.648,666 3.638,667 4.025,668 4.277,669 4.615,670 4.89,671 5.094,672 5.333,673 5.521,674 5.694,675 5.864,676 6.903,677 0.645,678 461.5,679 3.638,680 5.22,681 6.08,682 6.993,683 7.875,684 8.793,685 9.688,686 10.608,687 11.512,688 12.434,689 12.7,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 55,733 17,734 1,735 37,737 59,738 21,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 4,757 1,758 4,761 12,762 9,766 1,771 1,775 1,778 1,779 3,781 22,782 11,783 2,784 12,790 7,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,844 1,846 3,848 33,854 5,855 2,856 1,858 2,859 1,860 1,869 3,870 3.6,873 1,874 1,877 16.917,878 10.095,879 6.931,880 3.272,881 3.115,882 1.373,883 1.011,884 5.731,885 11.478,886 3.85,887 4.463,888 5.028,889 5.671,890 6.249,891 6.704,892 7.236,893 7.707,894 8.072,895 8.482,896 1,897 52,898 12.704,900 6.04,901 8.154,902 22.758,904 19.281,905 2.654,906 87.583,909 1,910 235.422,911 93.657,912 91.156,914 36.145,915 44.88,917 93.657,918 271.567,919 136.037,920 8.396,921 47.408,922 37.905,923 99.865,924 69.672,925 6.604,926 223.651,927 7.76,928 235.422,929 184.813,930 81.025,933 190.666,934 117.11,935 11,937 67.706,938 64.545,939 50.234,941 280.302,942 127.301,943 93.657,946 243.182,947 30.548,948 60.25,949 36.022,950 131.259,951 235.422,952 172.182,953 93.657,955 0.597,956 0.325,957 0.176,958 0.101,959 29,960 13,961 0.068,962 4,963 3,964 1.217,965 4.289,966 325.478,967 0.261,968 22,969 151.71,974 22.084,975 8.563,976 4.671,977 0.598,978 170.405,979 8.181,980 13.133,984 2.005,985 0.862,986 36.022,987 501.26,988 46,993 11.518,997 -0.36,999 56.858,1000 63.663,1001 0.318,1002 0.699,1003 0.833,1004 0.863,1005 0.863,1006 0.863,1007 5.142,1008 1.879,1009 6.116,1010 5.638,1011 4.71,1012 5.15,1013 3.087,1014 6.974,1015 4.57,1016 6.365,1017 1.691,1018 7.704,1019 5.401,1020 4.511,1021 5.094,1022 3.192,1023 8.05,1024 4.227,1025 7.694,1026 1.488,1027 9.389,1028 5.321,1029 6.395,1030 7.352,1031 4.666,1032 11.074,1033 6.102,1034 9.053,1035 1.205,1036 11.129,1037 4.264,1038 6.948,1039 8.097,1040 5.505,1041 12.908,1042 6.51,1043 10.441,1044 1,1045 12.904,1046 3.571,1047 8.361,1048 9.9,1049 6.696,1050 15.506,1051 7.899,1052 11.85,1053 0.847,1054 14.702,1055 2.275,1056 9.239,1057 11.037,1058 7.734,1059 17.657,1060 8.655,1061 13.276,1062 0.668,1063 16.519,1064 2.213,1065 10.479,1066 12.664,1067 8.859,1068 20.118,1069 9.853,1070 3.294,1071 0.404,1072 18.349,1073 1.655,1074 11.506,1075 14,1076 9.948,1077 22.409,1078 10.779,1079 3.1,1080 11.474,1081 20.189,1082 0.63,1083 12.684,1084 15.558,1085 11.057,1086 24.828,1087 11.904,1088 2.868,1089 10.198,1090 22.039,1091 4.629,1092 13.779,1093 16.993,1094 12.158,1095 27.183,1096 12.916,1097 2.77,1098 9.031,1099 23.897,1100 3.793,1101 14.938,1102 18.527,1103 13.264,1104 29.594,1105 14.016,1106 2.521,1107 8.878,1108 25.761,1109 3.363,1110 16.066,1111 20.01,1112 14.368,1113 31.982,1114 15.073,1115 2.415,1116 7.683,1117 27.631,1118 3.169,1119 17.222,1120 21.537,1121 15.474,1122 34.395,1123 16.17,1124 2.049,1125 7.313,1126 29.506,1127 3.032,1128 18.368,1129 23.044,1130 16.579,1131 36.8,1132 17.251,1133 13962,1134 25835,1135 24.561,1136 35.614,1137 57.072,1138 57.606,1139 57.704,1140 56.583,1141 56.395,1142 69.66,1143 13.166,1144 171.09,1145 52.497,1146 5.682,1147 6.269,1148 6.411,1149 5.335,1150 5.294,1151 7.629,1152 4.53,1153 18.955,1154 5.099,1155 17.56,1156 1.542,1157 1.557,1158 1.56,1159 1.529,1160 1.524,1161 1.883,1162 0.356,1163 4.624,1164 1.419,1165 4.133,1166 4.183,1167 4.112,1168 3.974,1169 8.513,1170 4,1171 3.902,1172 3.942,1173 3.841,1174 3.8,1175 7.999,1176 3.805,1177 3.886,1178 3.928,1179 3.797,1180 3.717,1181 7.999,1182 3.728,1183 3.581,1184 3.644,1185 3.551,1186 3.291,1187 7.431,1188 3.339,1189 3.517,1190 3.577,1191 3.455,1192 3.23,1193 5.132,1194 3.272,1195 3.251,1196 3.331,1197 3.198,1198 2.992,1199 4.751,1200 3.021,1201 3.169,1202 3.25,1203 3.052,1204 2.968,1205 4.67,1206 2.976,1207 3.093,1208 3.176,1209 2.89,1210 2.951,1211 4.478,1212 2.926,1213 0.127,1214 0.115,1215 0.185,1216 0.114,1217 0.089,1218 4.682,1219 0.125,1220 4.269,1221 0.082,1222 6.86,1223 0.31,1224 4.228,1225 0.084,1226 3.294,1227 4.629,1228 3.02,1229 11.474,1230 3.099,1231 1.95,1232 1.92,1233 2.027,1234 2.085,1235 1.255,1236 2.063,1237 1.792,1238 1.755,1239 1.902,1240 1.954,1241 1.223,1242 1.942,1243 1.605,1244 1.551,1245 1.86,1246 1.88,1247 1.108,1248 1.839,1249 1.604,1250 1.543,1251 1.75,1252 1.762,1253 0.973,1254 1.798,1255 1.482,1256 1.422,1257 1.696,1258 1.76,1259 0.782,1260 1.737,1261 1.423,1262 1.349,1263 1.622,1264 1.692,1265 0.688,1266 1.678,1267 1.114,1268 1.052,1269 1.285,1270 1.41,1271 0.496,1272 1.355,1273 0.965,1274 0.891,1275 1.215,1276 1.315,1277 0.323,1278 1.275,1279 4.317,1281 5.687,1282 3.045,1283 7.228,1284 5.416,1285 8.849,1286 7.506,1287 10.519,1289 1.51,1291 39.43,1295 1.892,1296 5.124,1297 5.907,1299 0.162,1300 2.056,1301 -4.435,1305 35.47,1306 101.222,1307 222.252,1308 264.955,1309 274.465,1310 274.465,1311 274.465,1312 66.618,1313 8.362,1314 97.2,1315 97.2,1316 28,1317 12.945,1318 4.17,1319 3.322,1320 47.542,1321 134,1322 170,1323 0.173,1324 210.971,1325 369.03,1326 506.528,1327 48746,1328 5.5,1329 23.165,1330 0.702,1331 0.538,1332 20.665,1333 17.763,1334 15.786,1335 0.427,1336 0.286,1337 10.325,1338 14.777,1339 10.211,1340 8.313,1341 14.64,1342 10.588,1343 15.632,1344 0.284,1345 0.149,1346 13.275,1347 8.169,1348 12.119,1349 0.171,1350 0.081,1351 11.769,1352 5.776,1353 10.56,1354 0.106,1355 0.043,1356 10.027,1357 4.28,1358 8.797,1359 0.067,1360 0.023,1361 8.231,1362 2.989,1363 0.267,1364 101.747,1365 0.202,1366 30.271,1367 0.489,1368 184,1369 748.696,1370 221.87,1371 631.015,1372 836.72,1373 588,1374 218,1375 604.018,1376 249.571,1377 581.538,1378 875.72,1379 548,1380 5.792}
{0 CHEMBL572956,1 1.612,2 10.323,3 1.072,4 1.15,5 115.116,6 7.413,7 0.457,8 4.167,9 4.29,10 3.739,11 3.638,12 5.228,13 3.639,14 4.75,15 4.937,16 4.12,17 4.049,18 5.771,19 4.033,20 5.014,21 5.234,22 4.182,23 4.207,24 5.995,25 4.161,26 5.057,27 5.294,28 4.161,29 4.234,30 6.039,31 4.166,32 5.047,33 5.286,34 4.15,35 4.233,36 6.029,37 4.157,38 4.999,39 5.232,40 4.152,41 4.195,42 5.944,43 4.14,44 4.956,45 5.167,46 4.146,47 4.188,48 5.981,49 4.134,50 5.008,51 5.223,52 4.061,53 4.246,54 5.998,55 4.146,56 0.082,57 0.901,58 12.103,59 4.883,60 8.956,61 6.646,62 0.4,63 1.463,64 24.478,65 7.81,66 27.772,67 11.288,68 0.585,69 1.767,70 33.775,71 9.826,72 50.245,73 14.757,74 0.617,75 1.839,76 35.493,77 10.755,78 55.987,79 16.097,80 0.603,81 1.795,82 35.317,83 10.971,84 66.862,85 16.677,86 0.503,87 1.778,88 32.988,89 9.417,90 39.611,91 14.727,92 0.687,93 1.696,94 31.101,95 9.235,96 45.184,97 13.94,98 0.436,99 1.7,100 32.511,101 12.136,102 48.622,103 17.102,104 11,105 50,106 0.263,107 0.602,108 0.778,109 0.824,110 0.824,111 0.824,112 3.473,113 0.92,114 -4.09,115 -4.04,116 -3.82,119 38.6,120 1,121 2,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,158 1,161 1,166 1,172 4,174 4,175 13,180 2,183 5,186 2,187 6,192 2,195 2,198 6,199 8,204 1,207 5,211 2,212 8,215 2,220 2,223 2,224 10,232 3,236 4,237 5,240 2,242 1,245 5,249 3,250 6,253 1,258 3,263 5,268 2,271 2,275 1655,276 21.223,277 21.223,278 21.223,279 21.223,280 21.223,281 19.254,282 26.402,283 12.449,284 21.799,285 17.302,286 17.302,287 17.302,288 17.302,289 17.302,290 14.223,291 33.312,292 5.923,293 18.256,294 4.221,295 2.141,296 1.066,297 0.785,298 0.785,299 0.785,300 4.183,304 1,305 1,306 704,307 2.828,310 66.053,311 344.755,314 119.683,318 1.623,319 32.678,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68,331 320,332 4.694,333 3.669,334 6.903,335 4.238,336 3.289,337 4.638,338 1.94,339 11.617,340 3.12,341 4.191,342 3.377,343 6.331,344 3.838,345 2.883,346 3.81,347 0.86,348 9.603,349 2.764,350 4.002,351 3.027,352 6.124,353 3.74,354 2.775,355 3.355,356 0.8,357 9.006,358 2.67,359 3.869,360 2.875,361 5.918,362 3.618,363 2.677,364 3.037,365 0.555,366 8.169,367 2.515,368 3.602,369 2.56,370 5.556,371 3.241,372 2.292,373 2.995,375 7.074,376 2.168,377 3.396,378 2.386,379 5.05,380 3.136,381 2.178,382 2.492,384 6.076,385 2.077,386 2.986,387 2.289,388 4.78,389 2.71,390 1.778,391 2.139,393 4.9,394 1.653,395 2.933,396 2.067,397 4.327,398 2.424,399 1.472,400 2.038,402 4.041,403 1.397,404 2.687,405 1.533,406 4.147,407 2.34,408 1.38,409 1.747,411 3.421,412 1.309,413 2.621,414 1.528,415 3.755,416 2.166,417 1.216,418 1.634,420 2.913,421 1.154,422 2.449,423 1.256,424 3.706,425 2.066,426 1.121,427 1.425,428 2.648,429 1.044,430 2.305,431 1.193,432 3.476,433 1.984,434 1,435 1.251,436 2.511,437 0.983,438 2,439 1.077,440 3.414,441 1.968,442 1,443 1,445 2.275,446 0.964,447 2,448 1.053,449 3.412,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.979,457 0.761,458 3.247,459 1.577,460 0.647,461 0.834,463 1.792,464 0.599,465 14.4,466 0.465,467 0.747,468 0.024,469 38.25,470 1.234,471 16.5,472 0.532,473 21.75,474 0.702,475 28.896,476 0.932,477 34.2,478 0.6,479 29.715,480 0.959,481 7.37,482 0.238,483 7.728,484 0.249,485 0.081,487 0.361,493 0.816,494 1.542,495 0.767,496 1.232,497 0.693,498 1.029,499 0.995,500 1.178,501 0.882,502 0.972,503 0.588,504 0.909,505 1.145,506 1.131,507 1.007,508 0.93,509 0.972,510 0.934,511 0.911,512 0.968,513 1.009,514 0.956,515 1.02,516 0.982,517 0.776,518 1.07,519 0.911,520 0.956,521 0.884,522 0.953,523 0.909,524 1.133,525 0.999,526 0.974,527 0.651,528 0.972,529 0.896,530 1.001,531 1.101,532 0.984,533 0.651,534 1.042,535 0.711,536 1.047,537 1.088,538 1.277,539 0.687,540 1.254,541 5.5,542 0.21,543 3.778,544 1.785,545 1.565,546 1.33,547 0.856,548 0.493,549 0.321,550 0.251,551 12322,552 32262,553 2.16,554 45.6,556 17,558 1,559 1,560 3,562 4,564 1.744,565 2.044,566 3.325,567 -0.297,568 1,569 1,573 91.891,574 1.612,575 3.692,576 4.767,577 5.048,578 5.048,579 5.048,580 2.759,581 4.349,582 4.92,583 3.519,584 1636.5,585 8.641,586 22553,588 1,591 332.475,592 1.332,593 4.896,594 0.157,595 0.01,596 0.076,597 0.034,598 0.031,599 0.027,600 0.017,601 0.01,602 0.007,603 0.008,604 0.377,605 0.5,606 0.88,607 0.646,608 158.189,609 -0.015,610 -0.282,611 0.076,612 -0.118,613 -0.03,614 -0.028,615 -0.029,616 -0.024,617 0.048,618 0.027,619 0.058,620 0.044,621 -0.143,622 -0.064,623 -0.04,624 0.036,625 -0.066,626 0.019,627 -0.045,628 0.097,629 -0.049,630 0.004,631 -0.095,632 -0.021,633 0.039,634 -0.04,635 0.045,636 0.031,637 -0.032,638 0.035,639 -0.092,640 -0.032,641 -0.05,642 -0.023,643 -0.056,644 -0.02,645 0.032,646 0.131,647 -0.157,648 -0.021,649 0.017,650 -0.1,651 0.045,652 -0.002,653 -0.172,654 -0.222,655 0.069,656 -0.231,657 1.549,658 4.7,659 0.871,660 30.708,661 1.008,662 1.136,663 2.86,664 8.182,665 0.649,666 3.584,667 3.932,668 4.248,669 4.554,670 4.844,671 5.024,672 5.273,673 5.46,674 5.617,675 5.759,676 6.374,677 0.624,678 422.54,679 3.584,680 5.142,681 6.014,682 6.909,683 7.802,684 8.707,685 9.611,686 10.522,687 11.433,688 12.349,689 10.5,695 1,696 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,728 1,731 57,733 17,734 1,735 35,737 61,738 22,739 11,740 2,741 4,746 5,747 6,752 1,755 3,758 3,761 12,762 10,766 1,771 1,775 1,778 1,781 26,782 8,783 1,784 9,790 6,794 0.8,795 3,803 1,806 1,811 1,812 4,815 1,827 1,839 1,840 4,844 1,848 31,853 1,854 8,856 1,858 1,859 2,870 5.3,872 1,873 1,874 1,877 15.167,878 10.483,879 6.694,880 3.591,881 3.026,882 1.371,883 0.977,884 5.613,885 11.191,886 3.807,887 4.404,888 5.015,889 5.645,890 6.223,891 6.672,892 7.203,893 7.678,894 8.034,895 8.41,896 0.857,897 52,898 11.512,900 4.999,901 7.71,902 22.237,904 18.819,905 2.21,906 68.5,910 294.278,911 95.289,912 58.259,914 78.828,917 95.289,918 373.106,919 58.259,920 8.825,921 25.801,922 37.905,923 147.253,924 22.035,925 2.328,926 282.506,928 294.278,929 153.548,930 78.828,933 249.521,934 114.913,935 11,937 47.165,938 53.82,939 50.234,941 294.278,942 137.087,943 95.289,946 294.278,947 39.511,948 63.803,950 129.062,951 294.278,952 137.087,953 95.289,955 0.586,956 0.344,957 0.187,958 0.106,959 26,960 11,961 0.049,962 3,963 1,964 1.074,965 4.151,966 301.07,967 0.074,968 27,969 145.58,974 20.375,975 8.54,976 4.032,977 1.705,978 135.311,979 8.857,980 14.443,984 2.349,985 1.991,986 42.683,987 526.654,988 44,993 11.7,997 0.117,999 57.429,1000 64.77,1001 0.276,1002 0.633,1003 0.817,1004 0.865,1005 0.865,1006 0.865,1007 5.069,1008 1.472,1009 6.004,1010 4.9,1011 4.615,1012 5.091,1013 2.315,1014 6.845,1015 4.514,1016 6.263,1017 1.38,1018 7.578,1019 4.041,1020 4.205,1021 4.934,1022 1.738,1023 7.799,1024 4.058,1025 7.574,1026 1.216,1027 9.254,1028 3.421,1029 6.232,1030 7.293,1031 3.044,1032 10.93,1033 6.032,1034 8.921,1035 1.121,1036 10.991,1037 2.913,1038 6.661,1039 8.021,1040 3.144,1041 12.733,1042 6.413,1043 10.306,1044 1,1045 12.768,1046 2.648,1047 8.149,1048 9.865,1049 4.149,1050 15.382,1051 7.851,1052 11.716,1053 1,1054 14.572,1055 2.511,1056 8.96,1057 11.009,1058 4.541,1059 17.534,1060 8.613,1061 13.147,1062 1,1063 16.395,1064 2.275,1065 10.235,1066 12.653,1067 5.385,1068 20.027,1069 9.838,1070 3.289,1071 0.647,1072 18.233,1073 2.136,1074 11.227,1075 13.999,1076 5.912,1077 22.333,1078 10.778,1079 2.883,1080 11.617,1081 20.083,1082 1.792,1083 12.419,1084 15.565,1085 6.67,1086 24.779,1087 11.921,1088 2.775,1089 9.603,1090 21.942,1091 4.638,1092 13.499,1093 17.007,1094 7.263,1095 27.156,1096 12.947,1097 2.677,1098 9.006,1099 23.808,1100 3.81,1101 14.664,1102 18.545,1103 7.976,1104 29.591,1105 14.062,1106 2.292,1107 8.169,1108 25.682,1109 3.355,1110 15.787,1111 20.033,1112 8.602,1113 32.002,1114 15.131,1115 2.178,1116 7.074,1117 27.561,1118 3.037,1119 16.948,1120 21.563,1121 9.292,1122 34.439,1123 16.239,1124 1.778,1125 6.076,1126 29.445,1127 2.995,1128 18.094,1129 23.073,1130 9.936,1131 36.867,1132 17.332,1133 11565,1134 18835,1135 23.868,1136 37.012,1137 53.713,1138 54.291,1139 54.58,1140 53.452,1141 53.414,1142 66.792,1143 8.312,1144 156.364,1145 50.724,1146 5.694,1147 5.669,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.348,1153 19.166,1154 5.12,1155 13.112,1156 1.535,1157 1.551,1158 1.559,1159 1.527,1160 1.526,1161 1.908,1162 0.237,1163 4.468,1164 1.449,1165 4.138,1166 4.19,1167 4.115,1168 3.979,1169 7.428,1170 4.005,1171 3.885,1172 3.923,1173 3.823,1174 3.793,1175 6.471,1176 3.797,1177 3.816,1178 3.863,1179 3.725,1180 3.652,1181 5.131,1182 3.66,1183 3.718,1184 3.776,1185 3.609,1186 3.49,1187 4.677,1188 3.509,1189 3.444,1190 3.493,1191 3.338,1192 3.238,1193 4.616,1194 3.251,1195 3.218,1196 3.285,1197 3.151,1198 3.012,1199 4.43,1200 3.038,1201 3.111,1202 3.206,1203 2.894,1204 2.941,1205 4.22,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.992,1212 2.91,1213 0.134,1214 0.105,1215 0.197,1216 0.121,1217 0.094,1218 4.694,1219 0.133,1220 3.669,1221 0.055,1222 6.903,1223 0.332,1224 4.238,1225 0.089,1226 3.289,1227 4.638,1228 1.94,1229 11.617,1230 3.12,1231 1.948,1232 1.918,1233 2.051,1234 2.102,1235 1.411,1236 2.084,1237 1.847,1238 1.797,1239 2.007,1240 2.023,1241 1.219,1242 2.02,1243 1.772,1244 1.728,1245 1.929,1246 1.945,1247 1.08,1248 1.944,1249 1.583,1250 1.535,1251 1.725,1252 1.792,1253 0.879,1254 1.772,1255 1.43,1256 1.374,1257 1.679,1258 1.685,1259 0.825,1260 1.674,1261 1.203,1262 1.125,1263 1.513,1264 1.494,1265 0.825,1266 1.477,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.747,1272 1.429,1273 1.153,1274 1.064,1275 1.385,1276 1.376,1277 0.546,1278 1.429,1279 4.263,1281 5.602,1282 2.398,1283 7.143,1284 4.727,1285 8.773,1286 6.862,1287 10.451,1289 1.618,1294 9.962,1295 5.963,1297 5.522,1299 0.178,1300 4.096,1305 35.541,1306 91.891,1307 210.427,1308 271.72,1309 287.72,1310 287.72,1311 287.72,1312 50.92,1313 8.165,1314 96.61,1315 96.61,1316 29,1317 12.862,1318 4.17,1319 3.322,1320 43.274,1321 115,1322 132,1323 0.182,1324 214.17,1325 365.91,1326 514.336,1327 37703,1329 21.372,1330 0.689,1331 0.567,1332 21.372,1333 17.568,1334 15.097,1335 0.431,1336 0.307,1337 10.535,1338 14.331,1339 10.346,1340 8.449,1341 15.097,1342 10.728,1343 13.813,1344 0.276,1345 0.162,1346 13.813,1347 8.084,1348 11.897,1349 0.172,1350 0.088,1351 11.897,1352 6.104,1353 10.205,1354 0.109,1355 0.047,1356 10.205,1357 4.394,1358 8.51,1359 0.068,1360 0.025,1361 8.51,1362 3.101,1363 0.278,1364 95.697,1365 0.205,1366 28.583,1367 0.524,1368 170,1369 499.491,1370 190.768,1371 473.447,1372 653.76,1373 446,1374 204,1375 489.737,1376 226.216,1377 487.715,1378 722.06,1379 461,1380 7.161}
{0 CHEMBL573157,1 1.64,2 15.86,3 2.044,4 4.177,5 156.202,6 7.681,7 0.449,8 4.463,9 4.585,10 4.066,11 3.937,12 5.542,13 3.948,14 5.046,15 5.219,16 4.459,17 4.362,18 6.123,19 4.351,20 5.316,21 5.532,22 4.497,23 4.513,24 6.293,25 4.466,26 5.367,27 5.609,28 4.455,29 4.489,30 6.388,31 4.436,32 5.272,33 5.485,34 4.46,35 4.482,36 6.34,37 4.436,38 5.283,39 5.504,40 4.47,41 4.518,42 6.272,43 4.463,44 5.279,45 5.489,46 4.49,47 4.541,48 6.276,49 4.482,50 5.337,51 5.565,52 4.427,53 4.567,54 6.328,55 4.476,56 0.121,57 1.232,58 15.167,59 6.282,60 11.611,61 8.359,62 0.754,63 1.99,64 31.418,65 10.578,66 51.92,67 14.68,68 0.77,69 2.417,70 44.317,71 13.789,72 60.949,73 19.981,74 1.01,75 2.429,76 49.206,77 13.928,78 92.316,79 20.433,80 0.837,81 2.294,82 42.672,83 13.404,84 90.363,85 19.059,86 0.802,87 2.393,88 42.559,89 13.321,90 65.1,91 19.458,92 0.741,93 2.404,94 41.27,95 13.792,96 58.906,97 20.125,98 0.837,99 2.435,100 45.031,101 15.962,102 77.782,103 22.79,104 12,105 70,106 0.25,107 0.591,108 0.759,109 0.828,110 0.837,111 0.837,112 3.788,113 0.894,114 -4.03,115 -3.98,116 -3.77,119 39.5,121 4,124 1,125 4,127 3,142 6,143 2,144 2,145 3,147 1,149 1,159 2,161 1,166 1,172 6,174 6,175 14,178 2,179 1,180 3,183 5,186 2,187 9,190 1,192 3,195 2,198 6,199 15,204 4,207 3,211 3,212 11,215 1,217 3,220 4,223 3,224 12,227 2,229 1,232 6,236 5,237 11,245 10,249 6,250 7,253 4,255 1,258 11,263 7,266 1,271 9,275 4469,276 29.728,277 29.728,278 29.728,279 29.728,280 29.728,281 26.959,282 39.045,283 17.361,284 30.574,285 24.189,286 24.189,287 24.189,288 24.189,289 24.189,290 19.834,291 55.065,292 8.259,293 25.484,294 4.608,295 2.364,296 1.26,297 0.809,298 0.747,299 0.747,300 4.511,306 1528,307 3.937,310 207.717,311 676.395,312 136.507,314 189.023,318 2.289,319 44.709,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94.5,331 682,332 4.695,333 3.761,334 6.906,335 4.243,336 3.295,337 4.638,338 2.208,339 11.631,340 3.124,341 4.187,342 3.562,343 6.353,344 3.874,345 2.939,346 3.797,347 1.656,348 9.709,349 2.766,350 4.05,351 3.415,352 6.114,353 3.803,354 2.841,355 3.48,356 0.86,357 8.984,358 2.722,359 3.971,360 3.197,361 6.014,362 3.708,363 2.765,364 3.374,365 0.8,366 8.518,367 2.589,368 3.931,369 2.904,370 5.766,371 3.612,372 2.654,373 3.153,374 0.655,375 8.05,376 2.536,377 3.784,378 2.771,379 5.567,380 3.501,381 2.554,382 3.093,383 0.247,384 7.632,385 2.406,386 3.693,387 2.548,388 5.417,389 3.353,390 2.39,391 2.796,392 0.13,393 6.926,394 2.299,395 3.402,396 2.454,397 5.323,398 3.078,399 2.133,400 2.653,402 6.747,403 2.005,404 3.296,405 2.386,406 4.879,407 2.942,408 1.951,409 2.391,411 5.638,412 1.919,413 2.966,414 2.132,415 4.711,416 2.839,417 1.879,418 2.173,420 5.114,421 1.794,422 2.879,423 2.093,424 4.669,425 2.53,426 1.586,427 1.974,428 4.622,429 1.486,430 2.843,431 1.546,432 4.397,433 2.449,434 1.5,435 1.879,436 4.231,437 1.42,438 2.798,439 1.535,440 4.216,441 2.34,442 1.377,443 1.815,445 3.618,446 1.321,447 2.627,448 1.519,449 3.943,450 2.26,451 1.333,452 1.662,454 2.991,455 1.226,456 2.5,457 1.461,458 3.666,459 2.019,460 1.07,461 1.5,463 2.862,464 1.01,465 19.933,466 0.464,467 0.982,468 0.023,469 55.25,470 1.285,471 24.5,472 0.57,473 30.75,474 0.715,475 42.112,476 0.979,477 46.667,478 0.614,479 47.471,480 1.104,481 10.609,482 0.247,483 10.425,484 0.242,485 0.059,487 0.361,493 0.798,494 1.532,495 0.73,496 1.21,497 0.563,498 0.992,499 0.865,500 1.13,501 0.884,502 0.981,503 0.545,504 0.941,505 1.049,506 1.196,507 1.002,508 1.044,509 0.789,510 1.016,511 1.16,512 0.899,513 1.03,514 0.855,515 1.21,516 0.897,517 1.109,518 1.069,519 1.009,520 0.96,521 1.304,522 0.965,523 0.911,524 1.007,525 1.012,526 0.942,527 0.86,528 0.972,529 0.746,530 1.151,531 0.995,532 1.082,533 0.577,534 1.074,535 0.622,536 0.893,537 1.028,538 1.095,539 0.527,540 1.126,541 8.5,542 0.388,543 4.444,544 2.444,545 1.871,546 1.705,547 1.113,548 0.585,549 0.501,550 0.458,551 34781,552 92471,553 2.195,554 43.4,556 20,558 3,559 2,561 4,562 4,564 1.82,565 2.098,566 3.862,567 0.184,573 124.641,574 1.64,575 3.884,576 4.988,577 5.439,578 5.501,579 5.501,580 3.344,581 4.868,582 5.388,583 4.093,584 3695.66,585 9.561,586 67614.2,591 474.842,592 1.253,593 5.377,594 0.173,595 0.008,596 0.063,597 0.034,598 0.028,599 0.025,600 0.016,601 0.008,602 0.008,603 0.008,604 0.371,605 0.33,606 0.63,607 0.647,608 248.084,609 -0.029,610 -0.283,611 0.079,612 -0.128,613 0.001,614 -0.025,615 0.128,616 0.015,617 0.026,618 0.019,619 0.127,620 0.001,621 -0.105,622 -0.15,623 -0.044,624 -0.06,625 -0.019,626 -0.046,627 -0.134,628 0.113,629 -0.028,630 0.083,631 -0.093,632 0.056,633 -0.107,634 -0.029,635 -0.046,636 0.028,637 -0.125,638 0.004,639 -0.073,640 0.073,641 -0.07,642 0.036,643 -0.085,644 -0.005,645 0.026,646 -0.064,647 -0.076,648 -0.075,649 0.014,650 -0.09,651 0.104,652 0.148,653 -0.096,654 -0.076,655 0.1,656 -0.115,657 2.023,658 5.465,659 0.814,660 64.905,661 1.011,662 1.136,663 2.797,664 7.821,665 0.658,666 3.912,667 4.263,668 4.575,669 4.883,670 5.147,671 5.338,672 5.58,673 5.784,674 5.991,675 6.215,676 9.068,677 0.636,678 583.72,679 3.912,680 5.476,681 6.347,682 7.241,683 8.127,684 9.028,685 9.924,686 10.831,687 11.735,688 12.647,689 11.8,695 1,696 3,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 76,733 24,734 1,735 49,737 82,738 30,739 16,740 2,741 4,746 7,747 9,751 1,755 7,758 7,761 18,762 12,766 2,771 2,775 2,781 33,782 12,783 2,784 13,790 9,794 0.714,795 4,801 1,803 1,805 1,806 1,811 2,812 5,813 1,815 1,837 1,839 1,840 5,844 1,848 43,854 8,855 2,856 2,858 3,859 2,870 5.3,873 2,874 1,875 1,877 20.5,878 13.817,879 9.278,880 4.675,881 3.953,882 1.424,883 1.009,884 7.868,885 13.268,886 4.143,887 4.721,888 5.295,889 5.894,890 6.445,891 6.842,892 7.362,893 7.848,894 8.237,895 8.691,896 0.909,897 71,898 15.964,900 6.991,901 7.709,902 30.693,904 26.126,905 2.209,906 95,910 364.904,911 142.125,912 111.066,914 72.29,917 142.125,918 437.194,919 111.066,920 10.883,921 57.707,922 56.857,923 165.338,924 56.643,925 13.366,926 329.591,928 364.904,929 253.192,930 72.29,933 273.063,934 155.459,935 11,937 88.341,938 95.503,939 67.02,941 364.904,942 183.356,943 142.125,946 364.904,947 47.242,948 102.908,949 36.022,950 139.309,951 364.904,952 183.356,953 142.125,955 0.585,956 0.345,957 0.187,958 0.1,959 36,960 15,961 0.073,962 6,963 3,964 1.143,965 5.266,966 466.483,967 0.171,968 34,969 219.329,974 28.018,975 12.075,976 5.896,977 1.68,978 181.579,979 16.11,980 18.912,984 3.511,985 1.992,986 36.022,987 690.385,988 62,993 24.498,997 -0.657,999 76.829,1000 86.305,1001 0.262,1002 0.622,1003 0.798,1004 0.87,1005 0.88,1006 0.88,1007 5.409,1008 2.133,1009 6.333,1010 6.926,1011 4.949,1012 5.409,1013 2.857,1014 7.159,1015 4.847,1016 6.595,1017 1.951,1018 7.895,1019 6.747,1020 4.511,1021 5.173,1022 2.2,1023 8.05,1024 4.357,1025 7.895,1026 1.879,1027 9.554,1028 5.638,1029 6.558,1030 7.556,1031 3.824,1032 11.169,1033 6.351,1034 9.227,1035 1.586,1036 11.269,1037 5.114,1038 6.948,1039 8.188,1040 3.876,1041 12.906,1042 6.681,1043 10.594,1044 1.5,1045 13.023,1046 4.622,1047 8.441,1048 10.051,1049 5.122,1050 15.54,1051 8.126,1052 11.984,1053 1.377,1054 14.803,1055 4.231,1056 9.217,1057 11.117,1058 5.498,1059 17.649,1060 8.84,1061 13.394,1062 1.333,1063 16.604,1064 3.618,1065 10.489,1066 12.771,1067 6.553,1068 20.128,1069 10.065,1070 3.295,1071 1.07,1072 18.42,1073 2.991,1074 11.453,1075 14.065,1076 7.101,1077 22.41,1078 10.968,1079 2.939,1080 11.631,1081 20.25,1082 2.862,1083 12.638,1084 15.633,1085 8.048,1086 24.846,1087 12.104,1088 2.841,1089 9.709,1090 22.091,1091 4.638,1092 13.696,1093 17.045,1094 8.696,1095 27.21,1096 13.104,1097 2.765,1098 8.984,1099 23.941,1100 3.797,1101 14.851,1102 18.583,1103 9.58,1104 29.639,1105 14.208,1106 2.654,1107 8.518,1108 25.8,1109 3.48,1110 15.959,1111 20.055,1112 10.287,1113 32.043,1114 15.259,1115 2.554,1116 8.05,1117 27.666,1118 3.374,1119 17.109,1120 21.583,1121 11.134,1122 34.476,1123 16.357,1124 2.39,1125 7.632,1126 29.539,1127 3.153,1128 18.243,1129 23.084,1130 11.875,1131 36.901,1132 17.436,1133 31687,1134 51841,1135 33.808,1136 50.006,1137 74.501,1138 76.418,1139 75.554,1140 73.864,1141 73.916,1142 92.392,1143 13.112,1144 216.282,1145 70.241,1146 5.695,1147 5.761,1148 6.708,1149 5.35,1150 5.295,1151 7.638,1152 3.912,1153 19.2,1154 5.124,1155 16.444,1156 1.52,1157 1.56,1158 1.542,1159 1.507,1160 1.508,1161 1.886,1162 0.268,1163 4.414,1164 1.433,1165 4.148,1166 4.198,1167 4.121,1168 3.99,1169 7.434,1170 4.015,1171 3.915,1172 3.96,1173 3.862,1174 3.81,1175 7.43,1176 3.816,1177 3.903,1178 3.946,1179 3.802,1180 3.744,1181 5.136,1182 3.753,1183 3.859,1184 3.904,1185 3.795,1186 3.728,1187 4.908,1188 3.737,1189 3.784,1190 3.834,1191 3.702,1192 3.622,1193 4.75,1194 3.63,1195 3.456,1196 3.498,1197 3.405,1198 3.169,1199 4.67,1200 3.221,1201 3.405,1202 3.443,1203 3.332,1204 3.116,1205 4.521,1206 3.165,1207 3.266,1208 3.346,1209 3.162,1210 3.006,1211 4.478,1212 3.029,1213 0.096,1214 0.077,1215 0.141,1216 0.087,1217 0.067,1218 4.695,1219 0.095,1220 3.761,1221 0.045,1222 6.906,1223 0.237,1224 4.243,1225 0.064,1226 3.295,1227 4.638,1228 2.208,1229 11.631,1230 3.124,1231 1.955,1232 1.924,1233 2.048,1234 2.101,1235 1.409,1236 2.083,1237 1.85,1238 1.8,1239 2.013,1240 2.024,1241 1.255,1242 2.021,1243 1.819,1244 1.776,1245 1.934,1246 1.982,1247 1.219,1248 1.968,1249 1.767,1250 1.723,1251 1.896,1252 1.928,1253 1.105,1254 1.925,1255 1.604,1256 1.543,1257 1.86,1258 1.778,1259 0.945,1260 1.798,1261 1.564,1262 1.521,1263 1.698,1264 1.76,1265 0.881,1266 1.753,1267 1.339,1268 1.291,1269 1.602,1270 1.668,1271 0.825,1272 1.63,1273 1.266,1274 1.221,1275 1.513,1276 1.559,1277 0.63,1278 1.516,1279 4.595,1281 5.938,1282 3.045,1283 7.47,1284 5.416,1285 9.087,1286 7.516,1287 10.752,1289 1.41,1295 6.372,1296 5.618,1297 11.017,1299 0.501,1300 4.036,1305 48.373,1306 124.641,1307 295.186,1308 379.068,1309 413.333,1310 418.088,1311 418.088,1312 72.815,1313 9.315,1314 139.63,1315 139.63,1316 40,1317 13.163,1318 4.644,1319 3.807,1320 58.07,1321 225,1322 281,1323 0.12,1324 288.792,1325 499.92,1326 696.412,1327 165107,1329 29.338,1330 0.682,1331 0.555,1332 29.338,1333 23.849,1334 21.034,1335 0.429,1336 0.298,1337 14.331,1338 19.959,1339 14.117,1340 11.565,1341 21.034,1342 14.609,1343 19.163,1344 0.274,1345 0.159,1346 19.163,1347 11.146,1348 16.785,1349 0.175,1350 0.087,1351 16.785,1352 8.34,1353 14.431,1354 0.11,1355 0.047,1356 14.431,1357 6.191,1358 11.743,1359 0.069,1360 0.025,1361 11.743,1362 4.354,1363 0.19,1364 133.567,1365 0.172,1366 38.176,1367 0.325,1368 238,1369 713.124,1370 269.079,1371 675.272,1372 933.25,1373 636,1374 285,1375 701.326,1376 317.225,1377 700.263,1378 1033.95,1379 659,1380 6.213}
{0 CHEMBL573171,1 1.644,2 15.833,3 1.903,4 3.621,5 153.74,6 7.623,7 0.468,8 4.439,9 4.564,10 4.031,11 3.897,12 5.538,13 3.909,14 5.007,15 5.187,16 4.403,17 4.298,18 6.102,19 4.288,20 5.253,21 5.466,22 4.464,23 4.456,24 6.26,25 4.418,26 5.337,27 5.572,28 4.452,29 4.474,30 6.379,31 4.426,32 5.291,33 5.507,34 4.441,35 4.488,36 6.353,37 4.433,38 5.298,39 5.531,40 4.436,41 4.5,42 6.278,43 4.437,44 5.263,45 5.479,46 4.439,47 4.506,48 6.267,49 4.442,50 5.311,51 5.538,52 4.389,53 4.534,54 6.312,55 4.44,56 0.121,57 1.2,58 15.126,59 6.07,60 11.697,61 8.232,62 0.779,63 1.888,64 31.019,65 9.877,66 53.157,67 14.044,68 0.739,69 2.279,70 41.579,71 12.537,72 58.212,73 18.459,74 0.978,75 2.363,76 47.311,77 13.333,78 90.554,79 19.677,80 0.852,81 2.303,82 43.827,83 13.679,84 93.172,85 19.743,86 0.824,87 2.364,88 44.29,89 13.536,90 67.664,91 20.247,92 0.771,93 2.322,94 41.374,95 13.415,96 61.475,97 19.88,98 0.804,99 2.348,100 44.045,101 15.671,102 75.77,103 22.502,104 19,105 66,106 0.251,107 0.603,108 0.792,109 0.854,110 0.864,111 0.864,112 3.765,113 0.895,114 -3.83,115 -3.79,116 -3.6,119 38.7,120 1,121 2,124 1,125 5,127 2,142 6,143 2,144 2,145 3,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 13,178 2,179 1,180 3,183 5,186 2,187 8,190 1,192 3,195 2,198 6,199 15,204 4,207 3,211 3,212 10,215 1,217 3,220 3,223 3,224 12,227 2,229 1,232 6,236 5,237 8,245 9,249 6,250 7,253 4,255 1,258 9,263 7,266 1,271 5,275 4212,276 28.833,277 28.833,278 28.833,279 28.833,280 28.833,281 26.064,282 37.967,283 16.964,284 29.723,285 23.172,286 23.172,287 23.172,288 23.172,289 23.172,290 18.818,291 52.942,292 8.027,293 24.487,294 4.585,295 2.289,296 1.047,297 0.644,298 0.58,299 0.58,300 4.479,306 1461,307 3.873,310 105.354,311 681.28,314 187.912,318 2.317,319 43.547,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 92.5,331 665,332 4.694,333 3.761,334 6.904,335 4.239,336 3.291,337 4.638,338 2.208,339 11.622,340 3.121,341 4.187,342 3.562,343 6.338,344 3.842,345 2.895,346 3.797,347 1.656,348 9.632,349 2.764,350 4.027,351 3.386,352 6.109,353 3.761,354 2.797,355 3.48,356 0.86,357 8.944,358 2.674,359 3.967,360 3.076,361 6.012,362 3.653,363 2.728,364 3.368,365 0.8,366 8.5,367 2.537,368 3.913,369 2.848,370 5.6,371 3.608,372 2.647,373 3.149,374 0.655,375 7.638,376 2.511,377 3.76,378 2.69,379 5.566,380 3.387,381 2.432,382 3.091,383 0.247,384 7.279,385 2.32,386 3.506,387 2.546,388 5.323,389 3.308,390 2.351,391 2.658,392 0.13,393 6.919,394 2.239,395 3.398,396 2.432,397 5.064,398 2.993,399 2.06,400 2.571,402 5.951,403 1.92,404 3.208,405 2.386,406 4.683,407 2.941,408 1.951,409 2.283,411 5.114,412 1.91,413 2.966,414 2.125,415 4.621,416 2.528,417 1.584,418 2.172,420 4.484,421 1.484,422 2.843,423 1.602,424 4.392,425 2.45,426 1.5,427 1.973,428 4.222,429 1.42,430 2.778,431 1.535,432 4.206,433 2.34,434 1.381,435 1.791,436 3.606,437 1.321,438 2.622,439 1.519,440 3.94,441 2.293,442 1.358,443 1.654,445 2.991,446 1.258,447 2.5,448 1.506,449 3.659,450 2.055,451 1.146,452 1.5,454 2.864,455 1.033,456 2.5,457 1.461,458 3.567,459 2.018,460 1.07,461 1.5,463 2.601,464 1.01,465 19.433,466 0.463,467 0.951,468 0.023,469 54.25,470 1.292,471 24.5,472 0.583,473 29.75,474 0.708,475 40.466,476 0.963,477 45.967,478 0.613,479 47.262,480 1.125,481 10.667,482 0.254,483 9.812,484 0.234,485 0.086,487 0.345,493 0.807,494 1.58,495 0.744,496 1.248,497 0.581,498 1.019,499 0.899,500 1.113,501 0.877,502 0.934,503 0.563,504 0.904,505 1.067,506 1.198,507 0.988,508 1.02,509 0.821,510 0.988,511 1.172,512 0.926,513 1.039,514 0.877,515 1.238,516 0.913,517 1.081,518 1.081,519 1.037,520 1.004,521 1.267,522 1.012,523 0.87,524 1.008,525 0.99,526 0.95,527 0.823,528 0.973,529 0.763,530 1.101,531 1.014,532 1.061,533 0.58,534 1.069,535 0.596,536 0.934,537 1.029,538 1.147,539 0.516,540 1.164,541 8,542 0.397,543 4.667,544 2.41,545 2.027,546 1.761,547 1.203,548 0.617,549 0.469,550 0.469,551 31652,552 87144,553 2.143,554 44,556 21,558 3,559 2,561 3,562 4,564 1.814,565 2.032,566 3.87,567 0.196,573 123.286,574 1.644,575 3.94,576 5.182,577 5.585,578 5.649,579 5.649,580 3.359,581 5.059,582 5.354,583 4.09,584 3521.79,585 9.49,586 63633.1,591 467.161,592 1.313,593 5.336,594 0.17,595 0.008,596 0.071,597 0.035,598 0.03,599 0.026,600 0.018,601 0.009,602 0.008,603 0.009,604 0.384,605 0.33,606 0.63,607 0.708,608 241.065,609 -0.03,610 -0.315,611 0.076,612 -0.152,613 -0.013,614 -0.04,615 0.122,616 0.03,617 0.049,618 0.062,619 0.126,620 0.039,621 -0.115,622 -0.13,623 -0.035,624 -0.037,625 -0.031,626 -0.024,627 -0.144,628 0.104,629 -0.049,630 0.068,631 -0.109,632 0.036,633 -0.106,634 -0.042,635 -0.078,636 -0.006,637 -0.123,638 -0.035,639 -0.051,640 0.05,641 -0.039,642 0.032,643 -0.064,644 0.007,645 0.014,646 -0.015,647 -0.09,648 -0.052,649 0.016,650 -0.081,651 0.118,652 0.111,653 -0.102,654 -0.114,655 0.107,656 -0.146,657 2.028,658 5.434,659 0.786,660 63.395,661 1.011,662 1.137,663 2.604,664 6.78,665 0.653,666 3.871,667 4.205,668 4.5,669 4.787,670 5.056,671 5.22,672 5.464,673 5.659,674 5.835,675 6.028,676 9.029,677 0.632,678 571.71,679 3.871,680 5.425,681 6.286,682 7.171,683 8.05,684 8.944,685 9.834,686 10.735,687 11.632,688 12.539,689 12,695 1,696 3,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 75,733 24,734 1,735 47,737 80,738 29,739 16,740 2,741 4,746 6,747 7,751 1,752 1,755 4,758 4,761 18,762 11,766 2,771 2,775 2,781 33,782 12,783 2,784 13,790 9,794 0.833,795 4,803 1,805 1,806 1,811 1,812 5,815 1,837 1,839 1,840 5,844 2,848 42,854 7,855 2,856 2,858 2,859 2,870 5.3,873 2,874 1,875 1,877 20.667,878 13.983,879 9.194,880 4.536,881 4.019,882 1.445,883 0.989,884 8.513,885 13.046,886 4.111,887 4.684,888 5.259,889 5.86,890 6.419,891 6.811,892 7.33,893 7.809,894 8.179,895 8.621,896 0.909,897 69,898 15.559,900 6.678,901 7.742,902 29.718,904 24.591,905 2.242,906 94.167,910 364.904,911 150.474,912 111.066,914 72.29,917 150.474,918 437.194,919 111.066,920 19.708,921 57.23,922 56.857,923 165.338,924 56.643,925 13.366,926 329.591,928 364.904,929 261.54,930 72.29,933 284.834,934 143.687,935 11,937 96.689,938 95.503,939 67.02,941 364.904,942 183.356,943 150.474,946 364.904,947 46.766,948 111.733,949 36.022,950 139.309,951 364.904,952 183.356,953 150.474,955 0.581,956 0.341,957 0.184,958 0.1,959 32,960 14,961 0.075,962 6,963 1,964 1.061,965 5.135,966 440.454,967 0.061,968 33,969 218.477,974 28.346,975 12.613,976 6.362,977 1.636,978 181.579,979 16.014,980 18.773,984 3.431,985 1.973,986 36.022,987 698.734,988 60,993 24.435,997 -0.668,999 75.829,1000 85.305,1001 0.264,1002 0.633,1003 0.832,1004 0.897,1005 0.907,1006 0.907,1007 5.364,1008 2.06,1009 6.267,1010 6.919,1011 4.89,1012 5.373,1013 2.857,1014 7.083,1015 4.785,1016 6.55,1017 1.951,1018 7.825,1019 5.951,1020 4.443,1021 5.139,1022 2.2,1023 7.978,1024 4.293,1025 7.849,1026 1.584,1027 9.482,1028 5.114,1029 6.488,1030 7.53,1031 3.824,1032 11.095,1033 6.278,1034 9.181,1035 1.5,1036 11.198,1037 4.484,1038 6.868,1039 8.166,1040 3.876,1041 12.845,1042 6.608,1043 10.548,1044 1.381,1045 12.953,1046 4.222,1047 8.364,1048 10.036,1049 5.122,1050 15.481,1051 8.051,1052 11.94,1053 1.358,1054 14.736,1055 3.606,1056 9.133,1057 11.105,1058 5.498,1059 17.601,1060 8.767,1061 13.351,1062 1.146,1063 16.54,1064 2.991,1065 10.407,1066 12.762,1067 6.553,1068 20.084,1069 9.99,1070 3.291,1071 1.07,1072 18.361,1073 2.864,1074 11.368,1075 14.058,1076 7.101,1077 22.373,1078 10.897,1079 2.895,1080 11.622,1081 20.195,1082 2.601,1083 12.554,1084 15.629,1085 8.048,1086 24.812,1087 12.033,1088 2.797,1089 9.632,1090 22.04,1091 4.638,1092 13.611,1093 17.042,1094 8.696,1095 27.18,1096 13.036,1097 2.728,1098 8.944,1099 23.894,1100 3.797,1101 14.768,1102 18.581,1103 9.58,1104 29.612,1105 14.142,1106 2.647,1107 8.5,1108 25.756,1109 3.48,1110 15.876,1111 20.053,1112 10.287,1113 32.019,1114 15.196,1115 2.432,1116 7.638,1117 27.626,1118 3.368,1119 17.028,1120 21.581,1121 11.134,1122 34.453,1123 16.297,1124 2.351,1125 7.279,1126 29.502,1127 3.149,1128 18.163,1129 23.083,1130 11.875,1131 36.88,1132 17.379,1133 29433,1134 49019,1135 32.016,1136 49.006,1137 70.976,1138 72.827,1139 72.543,1140 70.285,1141 70.335,1142 88.811,1143 13.112,1144 202.945,1145 66.705,1146 5.694,1147 5.761,1148 6.706,1149 5.344,1150 5.291,1151 7.638,1152 3.912,1153 19.18,1154 5.121,1155 18.612,1156 1.51,1157 1.55,1158 1.543,1159 1.495,1160 1.496,1161 1.89,1162 0.279,1163 4.318,1164 1.419,1165 4.143,1166 4.194,1167 4.118,1168 3.985,1169 7.434,1170 4.01,1171 3.915,1172 3.957,1173 3.862,1174 3.808,1175 7.43,1176 3.815,1177 3.86,1178 3.907,1179 3.796,1180 3.741,1181 5.136,1182 3.75,1183 3.818,1184 3.868,1185 3.727,1186 3.647,1187 4.908,1188 3.655,1189 3.744,1190 3.797,1191 3.644,1192 3.541,1193 4.75,1194 3.555,1195 3.45,1196 3.492,1197 3.4,1198 3.167,1199 4.639,1200 3.218,1201 3.403,1202 3.438,1203 3.322,1204 3.118,1205 4.521,1206 3.16,1207 3.281,1208 3.369,1209 3.14,1210 3.088,1211 4.476,1212 3.077,1213 0.1,1214 0.08,1215 0.147,1216 0.09,1217 0.07,1218 4.694,1219 0.099,1220 3.761,1221 0.047,1222 6.904,1223 0.247,1224 4.239,1225 0.066,1226 3.291,1227 4.638,1228 2.208,1229 11.622,1230 3.121,1231 1.957,1232 1.925,1233 2.05,1234 2.105,1235 1.409,1236 2.086,1237 1.85,1238 1.802,1239 2.014,1240 2.027,1241 1.248,1242 2.024,1243 1.819,1244 1.776,1245 1.959,1246 1.993,1247 1.109,1248 1.982,1249 1.786,1250 1.738,1251 1.932,1252 1.949,1253 0.945,1254 1.949,1255 1.623,1256 1.579,1257 1.75,1258 1.813,1259 0.922,1260 1.794,1261 1.344,1262 1.293,1263 1.628,1264 1.676,1265 0.868,1266 1.636,1267 1.295,1268 1.225,1269 1.601,1270 1.565,1271 0.825,1272 1.565,1273 1.264,1274 1.206,1275 1.513,1276 1.526,1277 0.632,1278 1.514,1279 4.554,1281 5.883,1282 2.398,1283 7.408,1284 4.727,1285 9.019,1286 6.862,1287 10.676,1289 3.46,1295 4.716,1296 5.598,1297 10.684,1299 0.167,1300 3.946,1305 47.373,1306 123.286,1307 295.505,1308 388.632,1309 418.897,1310 423.652,1311 423.652,1312 74.256,1313 9.027,1314 139.63,1315 139.63,1316 35,1317 13.059,1318 4.644,1319 3.807,1320 61.502,1321 219,1322 270,1323 0.131,1324 286.593,1325 494.98,1326 691.047,1327 119571,1329 29.053,1330 0.692,1331 0.561,1332 29.053,1333 23.564,1334 20.479,1335 0.436,1336 0.298,1337 13.733,1338 19.38,1339 13.469,1340 11.094,1341 20.479,1342 14.014,1343 18.418,1344 0.279,1345 0.158,1346 18.418,1347 10.411,1348 15.84,1349 0.178,1350 0.085,1351 15.84,1352 7.538,1353 13.392,1354 0.113,1355 0.045,1356 13.392,1357 5.414,1358 10.959,1359 0.07,1360 0.024,1361 10.959,1362 3.769,1363 0.208,1364 130.325,1365 0.177,1366 37.525,1367 0.354,1368 226,1369 701.124,1370 256.415,1371 663.175,1372 911.63,1373 624,1374 268,1375 679.417,1376 299.061,1377 679.418,1378 999.02,1379 638,1380 7.092}
{0 CHEMBL573178,1 1.529,2 9.4,3 1.838,4 3.378,5 114.942,6 7.337,7 0.571,8 4.145,9 4.277,10 3.725,11 3.645,12 5.135,13 3.64,14 4.734,15 4.92,16 4.103,17 4.08,18 5.674,19 4.053,20 4.986,21 5.226,22 4.128,23 4.204,24 5.853,25 4.135,26 4.984,27 5.238,28 4.095,29 4.193,30 5.863,31 4.114,32 4.909,33 5.144,34 4.099,35 4.172,36 5.81,37 4.103,38 4.904,39 5.12,40 4.139,41 4.168,42 5.857,43 4.12,44 4.917,45 5.133,46 4.067,47 4.181,48 5.833,49 4.112,50 4.957,51 5.182,52 3.985,53 4.242,54 5.753,55 4.121,56 0.045,57 0.915,58 11.921,59 4.587,60 7.037,61 6.438,62 0.283,63 1.507,64 23.87,65 7.755,66 21.383,67 11.193,68 0.395,69 1.782,70 32.861,71 10.038,72 32.331,73 15.341,74 0.463,75 1.789,76 32.973,77 10.058,78 35.133,79 15.446,80 0.299,81 1.689,82 29.794,83 9.614,84 31.891,85 14.657,86 0.344,87 1.736,88 29.041,89 8.529,90 32.966,91 13.02,92 0.483,93 1.696,94 29.763,95 8.936,96 36.767,97 13.474,98 0.263,99 1.711,100 30.665,101 12.004,102 25.134,103 17.13,105 50,106 0.25,107 0.614,108 0.771,109 0.819,110 0.825,111 0.825,112 3.442,113 0.92,114 -4.16,115 -4.1,116 -3.88,119 40,121 2,125 6,127 1,142 4,143 3,145 1,147 1,149 1,151 1,152 1,161 1,166 1,172 5,174 3,175 9,180 5,183 6,186 2,187 6,192 2,195 4,198 5,199 8,202 1,204 1,207 4,211 1,212 8,215 1,220 2,224 10,227 3,229 1,232 4,236 3,237 5,245 5,250 3,253 4,255 2,258 4,263 4,266 1,268 2,271 2,275 1348,276 21.223,277 21.223,278 21.223,279 21.223,280 21.223,281 19.076,282 23.104,283 12.601,284 21.816,285 17.356,286 17.356,287 17.356,288 17.356,289 17.356,290 13.974,291 32.362,292 6.032,293 18.312,294 4.252,295 2.018,296 1.055,297 0.764,298 0.727,299 0.727,300 4.17,304 1,305 1,306 647,307 2.236,310 124.145,311 295.857,314 215.056,318 1.293,319 20.904,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 282,332 4.696,333 3.379,334 6.903,335 4.239,336 3.289,337 4.642,338 0.86,339 11.617,340 3.123,341 4.439,342 3.029,343 6.335,344 3.957,345 2.975,346 4.372,347 0.8,348 9.646,349 2.921,350 4.044,351 2.979,352 6.264,353 3.751,354 2.812,355 3.533,356 0.4,357 9.444,358 2.644,359 3.902,360 2.644,361 5.973,362 3.537,363 2.578,364 3.284,366 8.476,367 2.474,368 3.442,369 2.453,370 5.572,371 3.271,372 2.314,373 2.526,375 7.143,376 2.202,377 3.052,378 2.217,379 4.793,380 2.773,381 1.845,382 2.326,384 4.963,385 1.708,386 3.033,387 1.88,388 4.507,389 2.528,390 1.555,391 2.299,393 4.509,394 1.52,395 3.012,396 1.551,397 4.326,398 2.494,399 1.533,400 2.073,402 4.11,403 1.461,404 2.689,405 1.533,406 4.161,407 2.419,408 1.507,409 1.745,411 3.57,412 1.368,413 2.578,414 1.468,415 3.768,416 2.115,417 1.216,418 1.605,420 2.929,421 1.09,422 2.454,423 1.256,424 3.5,425 2.032,426 1.092,427 1.44,428 2.582,429 1.02,430 2.242,431 1.123,432 3.446,433 1.984,434 1,435 1.222,436 2.377,437 0.983,438 2,439 1.077,440 3.396,441 1.957,442 1,443 1,445 2.136,446 0.954,447 2,448 1.018,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 1.976,457 0.747,458 3.247,459 1.585,460 0.654,461 0.837,463 1.791,464 0.607,465 14.133,466 0.471,467 0.565,468 0.019,469 38,470 1.267,471 16.5,472 0.55,473 21.5,474 0.717,475 26.716,476 0.891,477 32.067,478 0.583,479 27.401,480 0.913,481 7.207,482 0.24,483 7.658,484 0.255,487 0.34,493 0.905,494 1.447,495 0.773,496 1.139,497 0.776,498 0.967,499 1.296,500 1.162,501 0.958,502 0.968,503 1.029,504 0.928,505 1.091,506 1.105,507 0.943,508 0.925,509 0.882,510 0.914,511 0.866,512 0.881,513 0.944,514 0.862,515 1.103,516 0.893,517 0.838,518 1.113,519 0.885,520 0.967,521 1.095,522 0.929,523 1.218,524 1.154,525 1.089,526 1.026,527 1.259,528 1.022,529 1.26,530 1.005,531 1.212,532 0.998,533 1.361,534 1.069,535 0.634,536 1.03,537 1.088,538 1.263,539 0.729,540 1.247,541 4,542 0.076,543 3.333,544 1.479,545 1.36,546 1.125,547 0.735,548 0.349,549 0.251,550 0.151,551 11993,552 26457,553 2.289,554 45.5,556 17,557 1,558 1,559 2,562 4,564 1.737,565 2.25,566 3.227,567 0.243,568 1,569 1,573 84.119,574 1.529,575 3.763,576 4.727,577 5.018,578 5.054,579 5.054,580 2.536,581 4.348,582 4.877,583 3.386,584 1472.91,585 8.557,586 19757.6,588 1,590 1,591 317.975,592 0.918,593 4.879,594 0.114,595 0.004,596 0.067,597 0.03,598 0.028,599 0.023,600 0.015,601 0.008,602 0.006,603 0.004,604 0.298,605 0.5,606 0.88,608 150.47,609 0.018,610 -0.212,611 0.094,612 -0.081,613 0.068,614 0.001,615 -0.101,616 -0.026,617 -0.014,618 0.019,619 -0.01,620 0.011,621 -0.057,622 -0.079,623 0.035,624 0.044,625 0.089,626 0.049,627 0.035,628 0.162,629 0.031,630 0.086,631 -0.035,632 0.063,633 0.022,634 -0.066,635 0.068,636 0.02,637 -0.039,638 0.048,639 -0.139,640 -0.027,641 -0.132,642 -0.086,643 -0.12,644 -0.101,645 -0.128,646 0.098,647 -0.252,648 -0.044,649 -0.228,650 -0.139,651 0.059,652 -0.017,653 -0.169,654 -0.206,655 -0.015,656 -0.22,657 0.962,658 2.072,659 1,660 26.938,661 1,662 1.135,663 2.925,664 8.559,665 0.661,666 3.584,667 3.932,668 4.29,669 4.625,670 4.898,671 5.075,672 5.328,673 5.541,674 5.694,675 5.869,676 5.979,677 0.629,678 403.54,679 3.584,680 5.142,681 6.028,682 6.929,683 7.832,684 8.742,685 9.654,686 10.57,687 11.487,688 12.406,689 12.7,691 1,695 1,697 2,699 3,703 4,704 6,705 3,706 1,709 3,710 1,711 20,726 1,731 55,733 20,734 1,735 35,737 60,738 22,739 13,740 3,741 3,746 6,747 8,755 3,758 3,761 13,762 9,778 1,781 25,782 6,783 2,784 8,790 7,794 0.667,795 1,803 1,806 1,807 1,811 2,812 4,815 2,835 1,839 1,840 4,848 30,854 8,855 1,856 1,858 1,859 1,870 1.8,874 1,877 13.333,878 9.75,879 6.444,880 3.541,881 3.921,882 1.468,883 1.056,884 4.673,885 12.306,886 3.829,887 4.472,888 5.166,889 5.844,890 6.412,891 6.91,892 7.457,893 7.973,894 8.351,895 8.855,896 0.714,897 50,898 11.124,900 4.867,901 7.45,902 22.009,904 19.078,905 1.95,906 58.5,910 270.735,911 95.523,912 89.931,914 11,917 95.523,918 281.735,919 89.931,921 22.677,922 64.963,923 74.72,924 41.393,925 16.243,926 247.193,928 270.735,929 185.455,930 11,933 225.979,934 47.084,935 11,937 70.012,938 62.88,939 50.234,941 270.735,942 100.931,943 95.523,946 270.735,947 39.523,948 60.901,949 34.796,950 61.234,951 270.735,952 100.931,953 95.523,955 0.581,956 0.351,957 0.203,958 0.111,959 28,960 10,961 0.05,962 3,963 2,964 1.133,965 4.182,966 298.674,967 0.133,968 30,969 137.207,974 18.313,975 7.656,976 3.308,977 4.244,978 82.369,979 12.33,980 14.83,981 3.256,984 2.743,985 2.125,986 34.796,987 467.19,988 45,999 54.992,1000 62.434,1001 0.265,1002 0.651,1003 0.818,1004 0.868,1005 0.874,1006 0.874,1007 5.081,1008 1.533,1009 6.004,1010 4.509,1011 4.615,1012 5.159,1013 1.324,1014 6.853,1015 4.516,1016 6.279,1017 1.507,1018 7.575,1019 4.11,1020 4.111,1021 4.997,1022 0.325,1023 7.803,1024 3.982,1025 7.597,1026 1.216,1027 9.251,1028 3.57,1029 6.232,1030 7.447,1031 0.958,1032 10.964,1033 6.047,1034 8.957,1035 1.092,1036 10.992,1037 2.929,1038 6.635,1039 8.228,1040 0.268,1041 12.781,1042 6.418,1043 10.359,1044 1,1045 12.775,1046 2.582,1047 8.161,1048 10.099,1049 0.736,1050 15.435,1051 7.893,1052 11.788,1053 1,1054 14.586,1055 2.377,1056 8.972,1057 11.291,1058 0.188,1059 17.593,1060 8.667,1061 13.238,1062 1,1063 16.416,1064 2.136,1065 10.264,1066 12.942,1067 0.57,1068 20.085,1069 9.912,1070 3.289,1071 0.654,1072 18.261,1073 2.136,1074 11.263,1075 14.315,1076 0.125,1077 22.389,1078 10.868,1079 2.975,1080 11.617,1081 20.116,1082 1.791,1083 12.464,1084 15.881,1085 0.439,1086 24.831,1087 12.023,1088 2.812,1089 9.646,1090 21.98,1091 4.642,1092 13.55,1093 17.333,1094 0.082,1095 27.203,1096 13.062,1097 2.578,1098 9.444,1099 23.85,1100 4.372,1101 14.72,1102 18.867,1103 0.334,1104 29.633,1105 14.185,1106 2.314,1107 8.476,1108 25.726,1109 3.533,1110 15.846,1111 20.354,1112 0.054,1113 32.039,1114 15.263,1115 1.845,1116 7.143,1117 27.607,1118 3.284,1119 17.009,1120 21.877,1121 0.252,1122 34.471,1123 16.377,1124 1.555,1125 4.963,1126 29.493,1127 2.526,1128 18.156,1129 23.381,1130 0.035,1131 36.895,1132 17.475,1133 10739,1134 16104,1135 24.849,1136 36.347,1137 53.726,1138 53.748,1139 53.525,1140 53.566,1141 53.54,1142 68.99,1143 4.12,1144 156.839,1145 50.812,1146 5.696,1147 5.379,1148 6.705,1149 5.342,1150 5.289,1151 7.642,1152 1.72,1153 19.164,1154 5.123,1156 1.535,1157 1.536,1158 1.529,1159 1.53,1160 1.53,1161 1.971,1162 0.118,1163 4.481,1164 1.452,1165 4.169,1166 4.214,1167 4.14,1168 4.057,1169 5.143,1170 4.069,1171 4.055,1172 4.1,1173 4.017,1174 3.909,1175 4.958,1176 3.934,1177 3.8,1178 3.866,1179 3.686,1180 3.631,1181 4.631,1182 3.633,1183 3.701,1184 3.763,1185 3.579,1186 3.485,1187 4.557,1188 3.5,1189 3.458,1190 3.515,1191 3.394,1192 3.324,1193 4.334,1194 3.332,1195 3.157,1196 3.234,1197 3.073,1198 2.941,1199 4.175,1200 2.948,1201 3.111,1202 3.206,1203 2.877,1204 2.941,1205 3.976,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.927,1211 3.751,1212 2.91,1213 0.134,1214 0.097,1215 0.197,1216 0.121,1217 0.094,1218 4.696,1219 0.133,1220 3.379,1221 0.025,1222 6.903,1223 0.332,1224 4.239,1225 0.089,1226 3.289,1227 4.642,1228 0.86,1229 11.617,1230 3.123,1231 1.977,1232 1.951,1233 2.056,1234 2.105,1235 1.396,1236 2.088,1237 1.851,1238 1.803,1239 2.023,1240 2.018,1241 1.222,1242 2.023,1243 1.778,1244 1.724,1245 1.935,1246 1.968,1247 1.163,1248 1.962,1249 1.584,1250 1.535,1251 1.721,1252 1.794,1253 0.886,1254 1.775,1255 1.483,1256 1.421,1257 1.658,1258 1.688,1259 0.825,1260 1.686,1261 1.264,1262 1.181,1263 1.513,1264 1.583,1265 0.825,1266 1.541,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.658,1272 1.429,1273 1.153,1274 1.064,1275 1.426,1276 1.376,1277 0.587,1278 1.429,1279 4.263,1281 5.602,1282 3.045,1283 7.148,1284 5.352,1285 8.785,1286 7.424,1287 10.472,1295 7.282,1296 3.441,1297 5.572,1299 0.371,1300 2.306,1305 34.606,1306 84.119,1307 206.978,1308 259.975,1309 275.975,1310 277.975,1311 277.975,1312 35.317,1313 8.385,1314 83.89,1315 83.89,1316 34,1317 12.916,1318 4.392,1319 3.459,1320 37.398,1321 109,1322 103,1323 0.171,1324 205.579,1325 336.07,1326 493.372,1327 50306,1329 19.916,1330 0.664,1331 0.561,1332 19.916,1333 16.843,1334 14.865,1335 0.425,1336 0.307,1337 10.551,1338 14.203,1339 10.421,1340 8.503,1341 14.865,1342 10.729,1343 13.285,1344 0.266,1345 0.161,1346 13.285,1347 8.058,1348 12.141,1349 0.169,1350 0.086,1351 12.141,1352 6.21,1353 10.786,1354 0.107,1355 0.045,1356 10.786,1357 4.567,1358 8.943,1359 0.067,1360 0.024,1361 8.943,1362 3.172,1363 0.259,1364 93.529,1365 0.201,1366 27.693,1367 0.498,1368 170,1369 434.627,1370 187.144,1371 419.329,1372 600.81,1373 400,1374 207,1375 467.352,1376 226.56,1377 468.51,1378 700.58,1379 445,1380 5.883}
{0 CHEMBL573202,1 1.64,2 15.814,3 2.044,4 4.177,5 156.202,6 7.681,7 0.449,8 4.463,9 4.585,10 4.066,11 3.937,12 5.544,13 3.948,14 5.046,15 5.219,16 4.455,17 4.365,18 6.117,19 4.351,20 5.314,21 5.532,22 4.52,23 4.527,24 6.286,25 4.482,26 5.388,27 5.623,28 4.484,29 4.512,30 6.413,31 4.461,32 5.295,33 5.51,34 4.482,35 4.512,36 6.359,37 4.467,38 5.3,39 5.513,40 4.505,41 4.544,42 6.29,43 4.487,44 5.323,45 5.554,46 4.463,47 4.541,48 6.303,49 4.479,50 5.294,51 5.498,52 4.448,53 4.59,54 6.298,55 4.499,56 0.121,57 1.232,58 15.167,59 6.282,60 11.111,61 8.359,62 0.773,63 2,64 31.482,65 10.556,66 53.926,67 14.68,68 0.703,69 2.448,70 43.744,71 13.667,72 55.765,73 20.039,74 1.042,75 2.465,76 50.169,77 14.501,78 94.826,79 20.909,80 0.893,81 2.353,82 43.767,83 13.525,84 96.047,85 19.229,86 0.71,87 2.461,88 42.439,89 14.004,90 58.224,91 20.361,92 0.935,93 2.446,94 44.966,95 13.49,96 71.29,97 20.141,98 0.675,99 2.403,100 41.097,101 16.455,102 68.893,103 22.746,104 12,105 70,106 0.25,107 0.594,108 0.77,109 0.828,110 0.837,111 0.837,112 3.788,113 0.894,114 -4.03,115 -3.98,116 -3.77,119 39.5,121 4,124 1,125 4,127 3,142 6,143 2,144 2,145 3,147 1,149 1,159 2,161 1,166 1,172 6,174 6,175 14,178 2,179 1,180 3,183 5,186 2,187 9,190 1,192 3,195 2,198 6,199 17,204 4,207 5,211 3,212 9,215 1,217 3,220 2,223 3,224 18,227 2,229 1,232 8,236 5,237 5,245 12,249 6,250 7,253 4,255 1,258 15,263 7,266 1,271 1,275 4415,276 29.833,277 29.833,278 29.833,279 29.833,280 29.833,281 27.064,282 40.051,283 17.431,284 30.679,285 24.166,286 24.166,287 24.166,288 24.166,289 24.166,290 19.82,291 57.171,292 8.227,293 25.438,294 4.608,295 2.348,296 1.191,297 0.809,298 0.747,299 0.747,300 4.512,306 1522,307 3.937,310 197.11,311 669.22,312 128.329,314 186.438,318 2.246,319 44.631,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94.5,331 680,332 4.707,333 3.761,334 7.025,335 4.292,336 3.347,337 4.64,338 2.208,339 12.065,340 3.163,341 4.194,342 3.562,343 6.648,344 4,345 3.058,346 3.797,347 1.656,348 10.674,349 2.878,350 4.168,351 3.517,352 6.155,353 3.816,354 2.85,355 3.481,356 0.86,357 9.105,358 2.76,359 3.978,360 3.2,361 6.027,362 3.709,363 2.764,364 3.432,365 0.8,366 8.557,367 2.6,368 3.944,369 2.854,370 5.899,371 3.611,372 2.652,373 3.174,374 0.655,375 8.103,376 2.536,377 3.785,378 2.637,379 5.567,380 3.436,381 2.473,382 3.098,383 0.247,384 7.629,385 2.368,386 3.645,387 2.541,388 5.323,389 3.333,390 2.364,391 2.83,392 0.13,393 6.921,394 2.285,395 3.399,396 2.386,397 5.185,398 2.942,399 1.953,400 2.651,402 5.951,403 1.919,404 3.17,405 2.328,406 5.086,407 2.878,408 1.931,409 2.282,411 5.839,412 1.822,413 2.966,414 2.09,415 4.679,416 2.851,417 1.879,418 2.17,420 5.114,421 1.822,422 2.879,423 2.016,424 4.465,425 2.451,426 1.504,427 1.973,428 4.261,429 1.421,430 2.843,431 1.757,432 4.341,433 2.408,434 1.479,435 1.879,436 3.869,437 1.36,438 2.715,439 1.535,440 4.107,441 2.339,442 1.374,443 1.733,445 3.172,446 1.32,447 2.5,448 1.519,449 3.912,450 2.18,451 1.313,452 1.5,454 2.99,455 1.128,456 2.5,457 1.461,458 3.612,459 2.02,460 1.071,461 1.5,463 2.857,464 1.012,465 19.933,466 0.464,467 0.948,468 0.022,469 55.25,470 1.285,471 24.5,472 0.57,473 30.75,474 0.715,475 42.382,476 0.986,477 46.667,478 0.614,479 47.599,480 1.107,481 10.625,482 0.247,483 10.443,484 0.243,485 0.059,487 0.361,493 0.798,494 1.532,495 0.73,496 1.21,497 0.558,498 0.992,499 0.879,500 1.148,501 0.893,502 0.964,503 0.557,504 0.938,505 0.936,506 1.171,507 0.963,508 1.04,509 0.738,510 0.999,511 1.225,512 0.938,513 1.036,514 0.882,515 1.225,516 0.913,517 1.142,518 0.986,519 1.026,520 0.895,521 1.318,522 0.926,523 0.823,524 1.195,525 0.993,526 1.096,527 0.804,528 1.074,529 0.879,530 0.911,531 1.049,532 0.883,533 0.629,534 0.954,535 0.514,536 1.015,537 1.029,538 1.259,539 0.483,540 1.25,541 7.5,542 0.351,543 4.889,544 2.472,545 1.836,546 1.632,547 1.287,548 0.652,549 0.422,550 0.455,551 34301,552 91691,553 2.195,554 43.4,556 20,558 3,559 2,561 4,562 4,564 1.82,565 2.098,566 3.842,567 0.184,573 124.641,574 1.64,575 3.9,576 5.057,577 5.439,578 5.501,579 5.501,580 3.344,581 4.775,582 5.388,583 4.081,584 3685.03,585 9.56,586 66941,591 474.842,592 1.253,593 5.377,594 0.153,595 0.007,596 0.07,597 0.034,598 0.027,599 0.023,600 0.018,601 0.009,602 0.006,603 0.008,604 0.355,605 0.33,606 0.63,607 0.647,608 247.654,609 -0.029,610 -0.283,611 0.079,612 -0.128,613 0.006,614 -0.025,615 0.115,616 -0.003,617 0.017,618 0.037,619 0.115,620 0.004,621 -0.073,622 -0.105,623 -0.017,624 -0.059,625 0.004,626 -0.028,627 -0.144,628 0.063,629 -0.031,630 0.068,631 -0.101,632 0.043,633 -0.137,634 0.063,635 -0.063,636 0.087,637 -0.146,638 0.036,639 -0.024,640 -0.114,641 -0.066,642 -0.097,643 -0.059,644 -0.093,645 -0.054,646 0.165,647 -0.099,648 0.081,649 -0.015,650 0.009,651 0.151,652 0.047,653 -0.136,654 -0.189,655 0.122,656 -0.218,657 2.023,658 5.475,659 0.814,660 63.62,661 1.011,662 1.136,663 2.797,664 7.821,665 0.658,666 3.912,667 4.263,668 4.595,669 4.913,670 5.182,671 5.375,672 5.609,673 5.832,674 6.031,675 6.25,676 8.985,677 0.636,678 583.72,679 3.912,680 5.476,681 6.354,682 7.252,683 8.147,684 9.055,685 9.96,686 10.874,687 11.787,688 12.707,689 11.8,695 1,696 3,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 76,733 24,734 1,735 49,737 82,738 30,739 16,740 2,741 4,746 7,747 9,751 1,755 7,758 7,761 18,762 12,766 2,771 2,775 2,781 33,782 12,783 2,784 13,790 9,794 0.714,795 4,803 1,805 1,806 1,808 1,811 2,812 5,813 1,815 1,837 1,839 1,840 5,844 1,848 43,854 8,855 2,856 2,858 3,859 2,870 5.3,873 2,874 1,875 1,877 20.5,878 13.817,879 9.333,880 4.664,881 3.946,882 1.422,883 1.002,884 7.868,885 13.301,886 4.143,887 4.721,888 5.305,889 5.91,890 6.466,891 6.873,892 7.395,893 7.892,894 8.275,895 8.728,896 0.909,897 73,898 15.962,900 6.988,901 7.709,902 30.693,904 26.144,905 2.209,906 95,910 364.904,911 147.099,912 111.066,914 72.29,917 147.099,918 437.194,919 111.066,920 10.883,921 62.68,922 56.857,923 165.338,924 56.643,925 13.366,926 329.591,928 364.904,929 258.165,930 72.29,933 273.063,934 155.459,935 11,937 93.314,938 95.503,939 67.02,941 364.904,942 183.356,943 147.099,946 364.904,947 52.216,948 102.908,949 36.022,950 139.309,951 364.904,952 183.356,953 147.099,955 0.584,956 0.349,957 0.192,958 0.103,959 36,960 15,961 0.073,962 6,963 3,964 1.143,965 5.229,966 470.252,967 0.171,968 34,969 219.329,974 28.018,975 12.075,976 5.648,977 1.698,978 181.579,979 16.141,980 18.991,984 3.548,985 2,986 36.022,987 695.359,988 62,993 24.517,997 -0.656,999 76.829,1000 86.305,1001 0.262,1002 0.624,1003 0.809,1004 0.87,1005 0.88,1006 0.88,1007 5.409,1008 1.953,1009 6.34,1010 6.921,1011 4.949,1012 5.409,1013 2.857,1014 7.183,1015 4.85,1016 6.595,1017 1.931,1018 7.913,1019 5.951,1020 4.511,1021 5.173,1022 2.2,1023 8.134,1024 4.372,1025 7.898,1026 1.879,1027 9.586,1028 5.839,1029 6.569,1030 7.56,1031 3.824,1032 11.274,1033 6.37,1034 9.235,1035 1.504,1036 11.321,1037 5.114,1038 6.986,1039 8.199,1040 3.876,1041 13.095,1042 6.735,1043 10.608,1044 1.479,1045 13.096,1046 4.261,1047 8.484,1048 10.06,1049 5.122,1050 15.756,1051 8.18,1052 12.005,1053 1.374,1054 14.899,1055 3.869,1056 9.296,1057 11.13,1058 5.498,1059 17.941,1060 8.932,1061 13.422,1062 1.313,1063 16.725,1064 3.172,1065 10.576,1066 12.782,1067 6.553,1068 20.455,1069 10.16,1070 3.347,1071 1.071,1072 18.567,1073 2.99,1074 11.575,1075 14.077,1076 7.101,1077 22.798,1078 11.097,1079 3.058,1080 12.065,1081 20.423,1082 2.857,1083 12.773,1084 15.644,1085 8.048,1086 25.27,1087 12.241,1088 2.85,1089 10.674,1090 22.289,1091 4.64,1092 13.862,1093 17.057,1094 8.696,1095 27.683,1096 13.268,1097 2.764,1098 9.105,1099 24.166,1100 3.797,1101 15.034,1102 18.593,1103 9.58,1104 30.148,1105 14.385,1106 2.652,1107 8.557,1108 26.05,1109 3.481,1110 16.167,1111 20.065,1112 10.287,1113 32.593,1114 15.457,1115 2.473,1116 8.103,1117 27.941,1118 3.432,1119 17.335,1120 21.592,1121 11.134,1122 35.06,1123 16.568,1124 2.364,1125 7.629,1126 29.839,1127 3.174,1128 18.492,1129 23.094,1130 11.875,1131 37.521,1132 17.665,1133 31319,1134 51369,1135 33.808,1136 50.006,1137 74.511,1138 76.349,1139 76.217,1140 73.862,1141 73.917,1142 92.389,1143 13.112,1144 217.299,1145 70.313,1146 5.707,1147 5.761,1148 6.827,1149 5.396,1150 5.347,1151 7.64,1152 3.912,1153 19.768,1154 5.163,1155 16.429,1156 1.521,1157 1.558,1158 1.555,1159 1.507,1160 1.509,1161 1.885,1162 0.268,1163 4.435,1164 1.435,1165 4.153,1166 4.204,1167 4.126,1168 3.996,1169 7.434,1170 4.021,1171 3.915,1172 3.962,1173 3.862,1174 3.814,1175 7.43,1176 3.819,1177 3.907,1178 3.955,1179 3.81,1180 3.745,1181 5.136,1182 3.754,1183 3.859,1184 3.902,1185 3.796,1186 3.736,1187 4.908,1188 3.744,1189 3.777,1190 3.828,1191 3.695,1192 3.612,1193 4.75,1194 3.621,1195 3.45,1196 3.491,1197 3.4,1198 3.166,1199 4.647,1200 3.218,1201 3.402,1202 3.436,1203 3.321,1204 3.106,1205 4.52,1206 3.157,1207 3.196,1208 3.269,1209 3.129,1210 2.951,1211 4.474,1212 2.981,1213 0.096,1214 0.077,1215 0.143,1216 0.088,1217 0.068,1218 4.707,1219 0.095,1220 3.761,1221 0.045,1222 7.025,1223 0.246,1224 4.292,1225 0.065,1226 3.347,1227 4.64,1228 2.208,1229 12.065,1230 3.163,1231 1.955,1232 1.923,1233 2.048,1234 2.099,1235 1.409,1236 2.081,1237 1.849,1238 1.8,1239 2.012,1240 2.024,1241 1.255,1242 2.021,1243 1.819,1244 1.776,1245 1.934,1246 1.98,1247 1.22,1248 1.966,1249 1.763,1250 1.72,1251 1.884,1252 1.924,1253 1.106,1254 1.919,1255 1.604,1256 1.543,1257 1.86,1258 1.784,1259 0.945,1260 1.798,1261 1.566,1262 1.523,1263 1.707,1264 1.76,1265 0.881,1266 1.76,1267 1.339,1268 1.291,1269 1.602,1270 1.67,1271 0.825,1272 1.631,1273 1.266,1274 1.221,1275 1.513,1276 1.56,1277 0.63,1278 1.517,1279 4.595,1281 5.938,1282 3.045,1283 7.477,1284 5.476,1285 9.105,1286 7.618,1287 10.783,1289 1.411,1295 6.188,1296 5.624,1297 10.78,1299 0.628,1300 4.133,1305 48.373,1306 124.641,1307 296.431,1308 384.313,1309 413.333,1310 418.088,1311 418.088,1312 72.978,1313 9.355,1314 139.63,1315 139.63,1316 40,1317 13.217,1318 4.644,1319 3.807,1320 58.084,1321 223,1322 281,1323 0.122,1324 288.792,1325 499.92,1326 696.412,1327 172579,1329 29.338,1330 0.682,1331 0.555,1332 29.338,1333 23.849,1334 21.068,1335 0.43,1336 0.298,1337 14.318,1338 19.986,1339 14.101,1340 11.56,1341 21.068,1342 14.598,1343 18.992,1344 0.271,1345 0.159,1346 18.992,1347 11.113,1348 16.899,1349 0.172,1350 0.087,1351 16.899,1352 8.482,1353 14.636,1354 0.108,1355 0.047,1356 14.636,1357 6.333,1358 11.986,1359 0.068,1360 0.025,1361 11.986,1362 4.442,1363 0.193,1364 133.878,1365 0.172,1366 38.102,1367 0.331,1368 238,1369 713.124,1370 268.416,1371 675.078,1372 932.57,1373 636,1374 287,1375 698.212,1376 318.893,1377 698.843,1378 1033.39,1379 657,1380 5.738}
{0 CHEMBL573339,1 1.643,2 8.038,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.74,25 3.897,26 4.601,27 4.8,28 3.93,29 3.856,30 5.661,31 3.843,32 4.552,33 4.727,34 3.948,35 3.85,36 5.691,37 3.845,38 4.563,39 4.716,40 3.948,41 3.915,42 5.647,43 3.901,44 4.608,45 4.774,46 3.86,47 3.933,48 5.677,49 3.88,50 4.659,51 4.872,52 3.658,53 3.843,54 5.7,55 3.738,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.708,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.14,73 8.985,74 0.401,75 1.234,76 19.844,77 6.951,78 33.285,79 8.821,80 0.525,81 1.162,82 18.373,83 6.593,84 41.881,85 7.998,86 0.434,87 1.193,88 16.823,89 6.549,90 25.389,91 7.574,92 0.383,93 1.212,94 17.722,95 7.482,96 25.34,97 8.996,98 0.443,99 1.167,100 21.923,101 8.885,102 39.839,103 11.593,104 2,105 43,106 0.282,107 0.649,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,119 45.2,125 4,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 6,180 2,183 5,186 4,187 7,192 2,195 2,198 2,199 7,204 1,207 1,211 3,212 7,215 2,220 3,223 1,224 6,232 4,236 1,237 6,240 1,242 1,245 4,249 1,250 5,253 1,255 1,258 2,263 3,266 1,268 1,271 1,275 888,276 18.154,277 18.154,278 18.154,279 18.154,280 18.154,281 15.811,282 12.611,283 10.787,284 18.623,285 14.885,286 14.885,287 14.885,288 14.885,289 14.885,290 11.295,291 16.024,292 5.188,293 15.653,294 3.749,295 1.617,296 0.845,297 0.476,298 0.476,299 0.476,300 4.024,303 1,304 1,305 1,306 471,307 2.121,310 37.097,311 226.299,314 148.493,318 1.047,319 26.381,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 57,331 209,332 4.779,333 3.38,334 6.937,335 4.289,336 3.319,337 4.866,338 0.86,339 11.762,340 3.224,341 4.245,342 2.973,343 6.306,344 3.825,345 2.855,346 3.917,347 0.8,348 9.524,349 2.772,350 4.042,351 2.874,352 6.123,353 3.688,354 2.742,355 3.615,357 8.995,358 2.588,359 3.625,360 2.476,361 5.454,362 3.215,363 2.274,364 3.018,366 6.72,367 2.133,368 3.454,369 2.321,370 5.054,371 3.044,372 2.088,373 2.819,375 6.043,376 1.989,377 3.187,378 2.042,379 4.929,380 2.762,381 1.82,382 2.402,384 5.376,385 1.716,386 2.947,387 1.735,388 4.335,389 2.505,390 1.552,391 2.101,393 4.001,394 1.474,395 2.842,396 1.504,397 4.161,398 2.343,399 1.387,400 1.998,402 3.558,403 1.325,404 2.648,405 1.389,406 3.613,407 2.246,408 1.31,409 1.697,411 2.914,412 1.214,413 2.588,414 1.256,415 3.559,416 2.081,417 1.098,418 1.631,420 2.567,421 1.077,422 2.28,423 1.114,424 3.475,425 1.952,426 1,427 1.243,428 2.531,429 0.946,430 2,431 1.083,432 3.267,433 1.91,434 1,435 1,436 2.136,437 0.905,438 1.891,439 0.508,440 3.247,441 1.417,442 0.463,443 0.653,445 1.239,446 0.441,447 1.063,448 -0.057,449 2.736,450 0.606,451 -0.341,452 -0.451,454 -0.846,455 -0.32,456 0.928,457 -0.263,458 2.639,459 0.516,460 -0.41,461 -0.511,463 -1.005,464 -0.375,465 12.1,466 0.465,467 0.551,468 0.021,469 37.5,470 1.442,471 19,472 0.731,473 18.5,474 0.712,475 18.299,476 0.704,477 26.9,478 0.64,479 26.764,480 1.029,481 7.429,482 0.286,483 5.364,484 0.206,485 0.028,487 0.364,493 0.922,494 1.35,495 0.676,496 1.072,497 0.905,498 0.87,499 1.093,500 1.048,501 0.844,502 0.911,503 0.749,504 0.837,505 0.976,506 1.101,507 0.887,508 0.911,509 0.902,510 0.887,511 0.969,512 1.061,513 0.88,514 0.907,515 0.895,516 0.865,517 1.024,518 0.911,519 0.9,520 0.803,521 0.84,522 0.818,523 1.093,524 1.093,525 1.101,526 1.006,527 0.857,528 1.026,529 0.915,530 1.086,531 1.219,532 1.237,533 0.897,534 1.274,535 0.695,536 1.052,537 1.128,538 1.309,539 0.846,540 1.315,541 4,542 0.025,543 2.667,544 1.701,545 1.275,546 1.146,547 0.554,548 0.259,549 0.228,550 0.089,551 7600,552 20994,553 2.241,554 38.1,556 14,558 1,559 1,564 1.7,565 2.167,566 3.032,567 -0.294,568 1,569 1,571 1,573 69.012,574 1.643,575 3.775,576 4.547,577 4.916,578 4.916,579 4.916,580 2.286,581 4.393,582 4.672,583 3.169,584 1029.87,585 8.147,586 12408.6,587 1,588 1,590 1,591 226.477,592 1.142,593 4.66,594 0.133,595 0.006,596 0.062,597 0.039,598 0.031,599 0.027,600 0.013,601 0.007,602 0.008,603 0.006,604 0.333,605 0.5,606 0.88,607 0.362,608 123.326,609 -0.092,610 -0.256,611 0.06,612 -0.095,613 -0.107,614 -0.008,615 -0.074,616 0.035,617 0.009,618 0.029,619 0.006,620 0.033,621 0.036,622 -0.071,623 0.055,624 0.036,625 0.017,626 0.04,627 -0.081,628 -0.012,629 0.072,630 0.029,631 -0.044,632 0.077,633 0.008,634 0.144,635 0.031,636 0.134,637 0.059,638 0.091,639 -0.143,640 -0.013,641 -0.239,642 -0.069,643 -0.128,644 -0.143,645 -0.079,646 -0.052,647 -0.349,648 -0.269,649 -0.127,650 -0.342,651 0.116,652 -0.146,653 -0.138,654 -0.288,655 0.081,656 -0.268,657 1.488,658 3.826,659 0.962,660 19.935,661 1.016,662 1.122,663 2.385,664 5.688,665 0.689,666 3.434,667 3.784,668 4.127,669 4.477,670 4.796,671 4.956,672 5.215,673 5.425,674 5.525,675 5.624,676 5.249,677 0.676,678 348.39,679 3.434,680 4.99,681 5.872,682 6.777,683 7.681,684 8.597,685 9.513,686 10.436,687 11.359,688 12.285,689 9.5,695 1,699 3,703 4,704 7,705 3,707 1,709 4,711 21,726 1,728 1,731 42,733 21,734 1,735 30,737 46,738 19,739 15,740 2,741 4,746 5,747 8,761 15,762 4,777 1,778 1,780 1,781 16,782 7,783 1,784 7,790 4,794 0.6,795 3,805 1,806 1,811 1,812 4,815 2,839 1,840 3,848 26,853 1,854 4,856 1,859 1,870 7.1,872 1,874 1,875 1,877 12,878 7.667,879 5.583,880 2.54,881 4.165,882 1.525,883 1.024,884 3.731,885 12.103,886 3.726,887 4.404,888 5.11,889 5.829,890 6.501,891 6.989,892 7.581,893 8.135,894 8.52,895 8.952,896 0.667,897 44,898 9.597,900 4.213,901 7.705,902 18.329,904 15.436,905 2.205,906 57.333,909 1,910 176.567,911 101.103,912 53.481,914 63.191,917 101.103,918 239.757,919 53.481,921 13.396,922 56.857,923 120.218,924 31.91,925 7.164,926 164.795,928 176.567,929 154.584,930 63.191,933 178.894,934 52.191,935 11,937 28.995,938 72.904,939 50.357,941 176.567,942 116.671,943 101.103,946 176.567,947 35.198,948 69.029,950 113.547,951 176.567,952 116.671,953 101.103,955 0.582,956 0.345,957 0.202,958 0.119,959 24,960 9,961 0.043,962 2,963 2,964 1.16,965 3.774,966 242.994,967 0.16,968 25,969 118.211,974 15.558,975 6.236,976 2.713,977 2.743,978 116.671,979 12.445,980 13.778,982 5.983,984 2.202,986 42.683,987 394.341,988 40.5,999 42.691,1000 47.113,1001 0.305,1002 0.7,1003 0.843,1004 0.912,1005 0.912,1006 0.912,1007 4.965,1008 1.387,1009 5.855,1010 4.001,1011 4.466,1012 5.091,1013 1.235,1014 6.708,1015 4.375,1016 6.186,1017 1.31,1018 7.428,1019 3.558,1020 4.007,1021 4.956,1022 0.325,1023 7.662,1024 3.886,1025 7.511,1026 1.098,1027 9.106,1028 2.914,1029 6.084,1030 7.419,1031 0.938,1032 10.832,1033 5.921,1034 8.878,1035 1,1036 10.848,1037 2.567,1038 6.494,1039 8.187,1040 0.268,1041 12.661,1042 6.309,1043 10.283,1044 1,1045 12.631,1046 2.531,1047 8.017,1048 10.102,1049 0.732,1050 15.339,1051 7.795,1052 11.716,1053 0.463,1054 14.444,1055 2.136,1056 8.838,1057 11.302,1058 0.188,1059 17.525,1060 8.596,1061 13.171,1062 -0.341,1063 16.277,1064 1.239,1065 10.137,1066 12.998,1067 0.57,1068 20.041,1069 9.862,1070 3.319,1071 -0.41,1072 18.127,1073 -0.846,1074 11.151,1075 14.404,1076 0.125,1077 22.378,1078 10.856,1079 2.855,1080 11.762,1081 19.988,1082 -1.005,1083 12.365,1084 16.016,1085 0.438,1086 24.844,1087 12.04,1088 2.742,1089 9.524,1090 21.86,1091 4.866,1092 13.469,1093 17.517,1094 0.082,1095 27.245,1096 13.12,1097 2.274,1098 8.995,1099 23.74,1100 3.917,1101 14.654,1102 19.101,1103 0.334,1104 29.699,1105 14.278,1106 2.088,1107 6.72,1108 25.627,1109 3.615,1110 15.8,1111 20.643,1112 0.054,1113 32.13,1114 15.399,1115 1.82,1116 6.043,1117 27.519,1118 3.018,1119 16.98,1120 22.22,1121 0.252,1122 34.584,1123 16.552,1124 1.552,1125 5.376,1126 29.416,1127 2.819,1128 18.146,1129 23.782,1130 0.035,1131 37.03,1132 17.693,1133 6991,1134 11755,1135 20.978,1136 28.955,1137 45.956,1138 46.037,1139 46.388,1140 45.857,1141 45.817,1142 61.92,1143 3.32,1144 134.731,1145 43.605,1146 5.779,1147 5.38,1148 6.739,1149 5.393,1150 5.319,1151 7.866,1152 1.72,1153 19.31,1154 5.224,1155 6.541,1156 1.532,1157 1.535,1158 1.546,1159 1.529,1160 1.527,1161 2.064,1162 0.111,1163 4.491,1164 1.454,1165 4.183,1166 4.2,1167 4.171,1168 4.047,1169 6.471,1170 4.074,1171 3.894,1172 3.916,1173 3.843,1174 3.821,1175 5.281,1176 3.823,1177 3.768,1178 3.822,1179 3.671,1180 3.567,1181 4.814,1182 3.585,1183 3.535,1184 3.58,1185 3.462,1186 3.369,1187 4.617,1188 3.385,1189 3.114,1190 3.206,1191 3.063,1192 2.946,1193 4.538,1194 2.966,1195 3.111,1196 3.135,1197 2.866,1198 2.941,1199 4.324,1200 2.91,1201 2.94,1202 2.992,1203 2.863,1204 2.746,1205 4.032,1206 2.75,1207 2.922,1208 2.967,1209 2.804,1210 2.714,1211 3.806,1212 2.735,1213 0.159,1214 0.113,1215 0.231,1216 0.143,1217 0.111,1218 4.779,1219 0.162,1220 3.38,1221 0.029,1222 6.937,1223 0.392,1224 4.289,1225 0.107,1226 3.319,1227 4.866,1228 0.86,1229 11.762,1230 3.224,1231 1.956,1232 1.93,1233 2.025,1234 2.081,1235 1.218,1236 2.062,1237 1.848,1238 1.824,1239 1.942,1240 1.975,1241 1.097,1242 1.957,1243 1.749,1244 1.71,1245 1.917,1246 1.942,1247 1.026,1248 1.943,1249 1.545,1250 1.509,1251 1.646,1252 1.771,1253 0.825,1254 1.738,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.698,1260 1.429,1261 0.998,1262 0.981,1263 1.154,1264 1.235,1265 0.259,1266 1.195,1267 0.942,1268 0.906,1269 1.125,1270 1.14,1271 0.237,1272 1.131,1273 0.883,1274 0.838,1275 1.103,1276 1.114,1277 0.139,1278 1.101,1279 4.111,1281 5.451,1282 2.398,1283 7.002,1284 4.844,1285 8.648,1286 7.066,1287 10.344,1294 9.826,1295 2.753,1297 5.462,1300 2.141,1305 28.391,1306 69.012,1307 158.561,1308 190.968,1309 206.477,1310 206.477,1311 206.477,1312 32.97,1313 7.938,1314 84.51,1315 84.51,1316 29,1317 12.791,1318 4.459,1319 3.524,1320 33.517,1321 83,1322 75,1323 0.205,1324 168.877,1325 278.47,1326 403.821,1327 28842,1329 17.51,1330 0.673,1331 0.535,1332 17.51,1333 13.922,1334 12.793,1335 0.426,1336 0.282,1337 8.311,1338 12.185,1339 8.209,1340 6.7,1341 12.793,1342 8.468,1343 11.597,1344 0.27,1345 0.143,1346 11.597,1347 6.156,1348 10.241,1349 0.168,1350 0.074,1351 10.241,1352 4.488,1353 9.145,1354 0.105,1355 0.037,1356 9.145,1357 3.228,1358 7.995,1359 0.067,1360 0.019,1361 7.995,1362 2.254,1363 0.306,1364 80.996,1365 0.218,1366 24.334,1367 0.613,1368 146,1369 450.201,1370 163.654,1371 427.285,1372 598.74,1373 404,1374 177,1375 455.855,1376 196.404,1377 455.624,1378 681.09,1379 431,1380 8.523}
{0 CHEMBL573424,1 1.536,2 14.902,3 2.384,4 5.685,5 157.098,6 7.125,7 0.478,8 4.46,9 4.597,10 4.001,11 3.94,12 5.488,13 3.927,14 5.04,15 5.24,16 4.376,17 4.349,18 6.028,19 4.317,20 5.312,21 5.535,22 4.434,23 4.519,24 6.235,25 4.451,26 5.403,27 5.667,28 4.42,29 4.563,30 6.288,31 4.472,32 5.361,33 5.597,34 4.443,35 4.601,36 6.265,37 4.505,38 5.42,39 5.674,40 4.45,41 4.604,42 6.298,43 4.514,44 5.358,45 5.59,46 4.422,47 4.582,48 6.256,49 4.488,50 5.39,51 5.645,52 4.341,53 4.578,54 6.264,55 4.457,56 0.049,57 1.247,58 17.297,59 6.508,60 13.262,61 9.419,62 0.462,63 1.984,64 33.895,65 10.63,66 41.043,67 15.984,68 0.565,69 2.404,70 46.056,71 13.928,72 55.989,73 21.202,74 0.746,75 2.57,76 51.71,77 15.2,78 68.383,79 23.792,80 0.403,81 2.546,82 47.643,83 16.131,84 55.859,85 24.512,86 0.606,87 2.646,88 51.862,89 15.556,90 63.886,91 24.37,92 0.538,93 2.546,94 47.571,95 15.05,96 54.646,97 23.336,98 0.722,99 2.52,100 50.213,101 16.534,102 70.399,103 25,104 20,105 65,106 0.234,107 0.582,108 0.78,109 0.827,110 0.827,111 0.827,112 3.742,113 0.934,114 -4.45,115 -4.37,116 -4.12,119 38.5,120 2,121 2,124 1,125 5,127 3,142 6,143 3,144 1,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 3,175 16,178 2,179 1,180 2,183 6,186 2,187 10,192 2,195 2,198 7,199 11,204 3,207 6,211 2,212 10,217 2,220 6,223 1,224 15,227 2,229 1,232 6,236 3,237 11,245 6,249 5,250 6,253 4,255 1,258 9,262 1,263 8,266 1,271 9,275 3955,276 28.074,277 28.074,278 28.074,279 28.074,280 28.074,281 25.434,282 37.723,283 16.514,284 28.808,285 22.711,286 22.711,287 22.711,288 22.711,289 22.711,290 18.613,291 53.167,292 7.877,293 23.877,294 4.75,295 2.458,296 1.161,297 0.85,298 0.85,299 0.85,300 4.457,306 1341,307 3.536,310 98.151,311 643.891,314 177.274,318 2.246,319 32.357,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 88.5,331 611,332 4.694,333 3.54,334 6.905,335 4.241,336 3.293,337 4.638,338 1.656,339 11.628,340 3.123,341 4.185,342 3.403,343 6.344,344 3.836,345 2.894,346 3.796,347 0.916,348 9.667,349 2.76,350 4.023,351 3.157,352 6.111,353 3.772,354 2.81,355 3.457,356 0.86,357 8.961,358 2.678,359 3.933,360 3.006,361 5.691,362 3.63,363 2.677,364 3.373,365 0.8,366 7.804,367 2.552,368 3.825,369 2.852,370 5.557,371 3.51,372 2.553,373 3.164,374 0.247,375 7.505,376 2.435,377 3.635,378 2.738,379 5.464,380 3.422,381 2.459,382 2.711,383 0.172,384 7.302,385 2.36,386 3.454,387 2.465,388 5.252,389 3.186,390 2.251,391 2.676,393 6.465,394 2.092,395 3.421,396 2.409,397 5.022,398 3.031,399 2.049,400 2.509,402 5.947,403 2,404 3.133,405 2.195,406 4.782,407 2.906,408 1.974,409 2.238,411 5.327,412 1.83,413 2.959,414 2.093,415 4.618,416 2.839,417 1.879,418 2.157,420 4.963,421 1.794,422 2.879,423 1.589,424 4.618,425 2.44,426 1.488,427 1.964,428 4.399,429 1.411,430 2.844,431 1.535,432 4.394,433 2.413,434 1.46,435 1.879,436 4.184,437 1.39,438 2.618,439 1.49,440 4.042,441 2.3,442 1.362,443 1.647,445 3.126,446 1.273,447 2.505,448 1.12,449 3.651,450 2.049,451 1.098,452 1.506,454 2.949,455 1.041,456 2.5,457 1.097,458 3.586,459 2,460 1,461 1.5,463 2.275,464 1,465 19.267,466 0.47,467 0.968,468 0.024,469 51,470 1.244,471 22.5,472 0.549,473 28.5,474 0.695,475 42.701,476 1.041,477 44.933,478 0.576,479 42.692,480 1.041,481 9.775,482 0.238,483 10.187,484 0.248,485 0.095,487 0.348,493 0.831,494 1.558,495 0.812,496 1.232,497 0.648,498 1.048,499 1.04,500 1.116,501 0.906,502 0.964,503 0.619,504 0.916,505 1.331,506 1.214,507 1.055,508 1.033,509 0.955,510 1.017,511 0.978,512 0.834,513 0.972,514 0.827,515 0.957,516 0.876,517 0.777,518 1.187,519 0.96,520 1.119,521 0.857,522 1.071,523 1.003,524 0.985,525 1.013,526 0.935,527 0.878,528 0.955,529 0.899,530 1.198,531 1.096,532 1.145,533 0.665,534 1.138,535 0.749,536 0.869,537 1.076,538 1.038,539 0.609,540 1.087,541 8.5,542 0.379,543 4,544 2.347,545 2.178,546 1.559,547 1.148,548 0.803,549 0.535,550 0.427,551 28757,552 69320,553 2.147,554 47.4,556 22,558 3,559 2,561 6,562 4,564 1.81,565 2.033,566 3.787,567 0.161,573 119.776,574 1.536,575 3.827,576 5.125,577 5.436,578 5.436,579 5.436,580 3.322,581 4.772,582 5.318,583 4.006,584 3284.62,585 9.43,586 57504.3,591 490.261,592 1.325,593 5.3,594 0.185,595 0.007,596 0.062,597 0.035,598 0.033,599 0.023,600 0.017,601 0.012,602 0.009,603 0.007,604 0.39,605 0.17,606 0.63,607 0.85,608 232.382,609 0.015,610 -0.279,611 0.082,612 -0.119,613 -0.007,614 -0.026,615 0.063,616 0.041,617 0.061,618 0.041,619 0.129,620 0.049,621 -0.144,622 -0.159,623 -0.066,624 -0.039,625 -0.039,626 -0.047,627 -0.035,628 0.198,629 0.018,630 0.125,631 -0.024,632 0.087,633 0.004,634 -0.139,635 -0.013,636 -0.085,637 -0.032,638 -0.057,639 -0.097,640 0.061,641 -0.035,642 0.037,643 -0.104,644 0.018,645 -0.028,646 -0.117,647 -0.139,648 -0.14,649 -0.056,650 -0.151,651 0.065,652 0.165,653 -0.113,654 -0.042,655 0.057,656 -0.093,657 1.927,658 4.747,659 0.805,660 60.569,661 0.999,662 1.137,663 3.216,664 10.341,665 0.649,666 3.85,667 4.19,668 4.477,669 4.787,670 5.069,671 5.236,672 5.476,673 5.7,674 5.892,675 6.068,676 8.576,677 0.615,678 555.76,679 3.85,680 5.407,681 6.267,682 7.157,683 8.036,684 8.935,685 9.826,686 10.732,687 11.632,688 12.543,689 11.5,692 1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 78,733 23,734 1,735 46,737 83,738 30,739 16,740 2,741 4,746 6,747 7,751 1,752 2,755 5,758 5,761 17,762 13,766 1,771 1,775 1,781 37,782 10,783 2,784 11,790 9,794 0.833,795 2,803 1,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 3,848 41,854 7,855 2,856 1,858 3,859 2,870 2.6,873 1,874 1,877 20.167,878 14.733,879 8.917,880 4.871,881 3.836,882 1.424,883 0.993,884 8.264,885 12.887,886 4.078,887 4.656,888 5.233,889 5.846,890 6.415,891 6.806,892 7.323,893 7.805,894 8.182,895 8.605,896 1,897 67,898 15.19,900 6.477,901 7.581,902 29.604,904 24.805,905 2.081,906 85.333,910 411.989,911 147.992,912 111.066,914 36.145,917 147.992,918 448.133,919 111.066,920 26.047,921 51.619,922 56.857,923 140.193,924 49.196,925 6.604,926 376.675,928 411.989,929 259.058,930 36.145,933 296.605,934 142.856,935 11,937 103.028,938 86.683,939 67.02,941 411.989,942 147.211,943 147.992,946 411.989,947 37.945,948 118.072,949 36.022,950 103.164,951 411.989,952 147.211,953 147.992,955 0.582,956 0.336,957 0.184,958 0.103,959 32,960 14,961 0.072,962 6,963 1,964 1.061,965 5.026,966 431.49,967 0.061,968 33,969 205.66,974 27.74,975 12.214,976 6.263,977 1.82,978 145.435,979 17.439,980 19.306,984 4.349,985 2.111,986 36.022,987 707.192,988 58,993 11.747,997 -0.261,999 77.941,1000 88.716,1001 0.244,1002 0.609,1003 0.815,1004 0.865,1005 0.865,1006 0.865,1007 5.335,1008 2.049,1009 6.252,1010 6.465,1011 4.875,1012 5.345,1013 2.277,1014 7.067,1015 4.777,1016 6.521,1017 1.974,1018 7.808,1019 5.947,1020 4.443,1021 5.103,1022 1.404,1023 7.947,1024 4.296,1025 7.818,1026 1.879,1027 9.459,1028 5.327,1029 6.472,1030 7.501,1031 2.617,1032 11.068,1033 6.273,1034 9.147,1035 1.488,1036 11.169,1037 4.963,1038 6.847,1039 8.128,1040 2.398,1041 12.803,1042 6.597,1043 10.51,1044 1.46,1045 12.918,1046 4.399,1047 8.341,1048 10.01,1049 3.311,1050 15.45,1051 8.042,1052 11.899,1053 1.362,1054 14.695,1055 4.184,1056 9.104,1057 11.078,1058 3.429,1059 17.568,1060 8.751,1061 13.309,1062 1.098,1063 16.493,1064 3.126,1065 10.379,1066 12.744,1067 4.176,1068 20.06,1069 9.978,1070 3.293,1071 1,1072 18.31,1073 2.949,1074 11.339,1075 14.042,1076 4.471,1077 22.353,1078 10.882,1079 2.894,1080 11.628,1081 20.142,1082 2.275,1083 12.527,1084 15.617,1085 5.117,1086 24.799,1087 12.021,1088 2.81,1089 9.667,1090 21.985,1091 4.638,1092 13.586,1093 17.033,1094 5.506,1095 27.172,1096 13.024,1097 2.677,1098 8.961,1099 23.84,1100 3.796,1101 14.747,1102 18.574,1103 6.093,1104 29.607,1105 14.133,1106 2.553,1107 7.804,1108 25.704,1109 3.457,1110 15.857,1111 20.048,1112 6.532,1113 32.018,1114 15.188,1115 2.459,1116 7.505,1117 27.576,1118 3.373,1119 17.013,1120 21.578,1121 7.084,1122 34.455,1123 16.291,1124 2.251,1125 7.302,1126 29.454,1127 3.164,1128 18.152,1129 23.081,1130 7.551,1131 36.884,1132 17.375,1133 26781,1134 41751,1135 31.323,1136 50.62,1137 69.568,1138 70.315,1139 70.744,1140 68.909,1141 68.903,1142 86.339,1143 9.304,1144 199.55,1145 65.59,1146 5.694,1147 5.54,1148 6.707,1149 5.348,1150 5.293,1151 7.638,1152 2.912,1153 19.193,1154 5.123,1155 18.315,1156 1.512,1157 1.529,1158 1.538,1159 1.498,1160 1.498,1161 1.877,1162 0.202,1163 4.338,1164 1.426,1165 4.145,1166 4.197,1167 4.119,1168 3.988,1169 7.431,1170 4.012,1171 3.916,1172 3.964,1173 3.847,1174 3.813,1175 5.136,1176 3.816,1177 3.89,1178 3.93,1179 3.833,1180 3.783,1181 4.896,1182 3.79,1183 3.816,1184 3.869,1185 3.713,1186 3.636,1187 4.752,1188 3.644,1189 3.719,1190 3.775,1191 3.613,1192 3.561,1193 4.653,1194 3.566,1195 3.547,1196 3.616,1197 3.467,1198 3.254,1199 4.491,1200 3.298,1201 3.367,1202 3.452,1203 3.225,1204 3.217,1205 4.265,1206 3.19,1207 3.3,1208 3.38,1209 3.151,1210 3.069,1211 4.204,1212 3.091,1213 0.102,1214 0.077,1215 0.15,1216 0.092,1217 0.072,1218 4.694,1219 0.101,1220 3.54,1221 0.036,1222 6.905,1223 0.253,1224 4.241,1225 0.068,1226 3.293,1227 4.638,1228 1.656,1229 11.628,1230 3.123,1231 1.958,1232 1.925,1233 2.069,1234 2.109,1235 1.425,1236 2.095,1237 1.892,1238 1.845,1239 2.027,1240 2.048,1241 1.271,1242 2.046,1243 1.82,1244 1.781,1245 1.976,1246 1.984,1247 1.112,1248 1.983,1249 1.778,1250 1.725,1251 1.939,1252 1.942,1253 1.071,1254 1.942,1255 1.642,1256 1.601,1257 1.756,1258 1.829,1259 0.97,1260 1.81,1261 1.425,1262 1.35,1263 1.733,1264 1.723,1265 0.899,1266 1.716,1267 1.405,1268 1.325,1269 1.693,1270 1.606,1271 0.825,1272 1.655,1273 1.308,1274 1.226,1275 1.513,1276 1.604,1277 0.689,1278 1.57,1279 4.533,1281 5.866,1282 2.398,1283 7.392,1284 4.727,1285 9.005,1286 6.862,1287 10.667,1289 5.793,1295 6.392,1296 5.379,1297 6.018,1299 0.456,1300 4.784,1305 47.997,1306 119.776,1307 298.501,1308 399.732,1309 423.997,1310 423.997,1311 423.997,1312 65.927,1313 9.05,1314 113.33,1315 113.33,1316 35,1317 13.06,1318 4.585,1319 3.7,1320 59.184,1321 201,1322 249,1323 0.137,1324 291.12,1325 497.34,1326 702.093,1327 119524,1329 28.346,1330 0.691,1331 0.581,1332 28.346,1333 23.825,1334 19.962,1335 0.434,1336 0.311,1337 14.093,1338 19.063,1339 13.73,1340 11.355,1341 19.962,1342 14.326,1343 18.192,1344 0.28,1345 0.169,1346 18.192,1347 11.01,1348 15.332,1349 0.176,1350 0.09,1351 15.332,1352 7.813,1353 13.23,1354 0.111,1355 0.049,1356 13.23,1357 5.867,1358 10.958,1359 0.069,1360 0.026,1361 10.958,1362 4.105,1363 0.216,1364 125.626,1365 0.179,1366 36.614,1367 0.377,1368 222,1369 599.653,1370 246.656,1371 578.137,1372 807.63,1373 546,1374 263,1375 613.595,1376 289.215,1377 616.649,1378 907.21,1379 581,1380 5.412}
{0 CHEMBL573662,1 1.628,2 16.326,3 2.252,4 5.07,5 158.488,6 7.509,7 0.458,8 4.473,9 4.599,10 4.052,11 3.932,12 5.556,13 3.939,14 5.044,15 5.227,16 4.422,17 4.331,18 6.125,19 4.314,20 5.297,21 5.52,22 4.489,23 4.488,24 6.278,25 4.449,26 5.366,27 5.593,28 4.498,29 4.515,30 6.422,31 4.467,32 5.35,33 5.569,34 4.479,35 4.536,36 6.404,37 4.484,38 5.343,39 5.563,40 4.49,41 4.566,42 6.342,43 4.497,44 5.374,45 5.616,46 4.445,47 4.571,48 6.317,49 4.489,50 5.344,51 5.568,52 4.417,53 4.587,54 6.32,55 4.481,56 0.109,57 1.238,58 16.103,59 6.392,60 10.9,61 8.776,62 0.761,63 1.952,64 32.709,65 10.414,66 54.352,67 15.011,68 0.739,69 2.352,70 44.456,71 12.936,72 57.914,73 19.482,74 0.95,75 2.433,76 48.622,77 14.21,78 88.512,79 20.714,80 0.894,81 2.417,82 47.369,83 14.049,84 100.318,85 20.498,86 0.806,87 2.503,88 45.676,89 14.738,90 70.508,91 21.811,92 0.899,93 2.501,94 48.492,95 14.821,96 69.578,97 22.645,98 0.687,99 2.423,100 45.458,101 17.411,102 73.462,103 24.79,104 20,105 67,106 0.247,107 0.586,108 0.77,109 0.843,110 0.846,111 0.85,112 3.788,113 0.912,114 -4.03,115 -3.98,116 -3.77,119 38.5,120 2,121 2,125 6,127 2,142 6,143 2,144 2,145 3,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 15,178 2,179 1,180 4,183 6,186 2,187 7,192 2,195 2,198 6,199 19,202 1,204 5,207 4,211 2,212 8,217 2,220 2,223 4,224 15,227 3,229 1,232 11,236 5,237 3,245 10,249 6,250 8,253 4,255 1,258 10,263 9,266 1,275 4495,276 29.593,277 29.593,278 29.593,279 29.593,280 29.593,281 26.823,282 39.548,283 17.606,284 30.519,285 23.694,286 23.694,287 23.694,288 23.694,289 23.694,290 19.366,291 55.157,292 8.314,293 25.075,294 4.657,295 2.424,296 1.215,297 0.737,298 0.712,299 0.686,300 4.502,306 1537,307 4,310 108.326,311 701.206,314 193.269,318 2.472,319 44.796,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94.5,331 702,332 4.698,333 3.768,334 6.935,335 4.252,336 3.305,337 4.639,338 2.208,339 11.724,340 3.131,341 4.187,342 3.562,343 6.458,344 3.869,345 2.931,346 3.797,347 1.656,348 9.978,349 2.767,350 4.061,351 3.421,352 6.131,353 3.79,354 2.823,355 3.48,356 0.86,357 9.021,358 2.717,359 3.971,360 3.117,361 6.025,362 3.69,363 2.757,364 3.387,365 0.8,366 8.563,367 2.559,368 3.935,369 2.842,370 5.776,371 3.612,372 2.649,373 3.157,374 0.655,375 7.702,376 2.54,377 3.768,378 2.607,379 5.567,380 3.398,381 2.436,382 3.101,383 0.247,384 7.603,385 2.336,386 3.543,387 2.538,388 5.323,389 3.309,390 2.339,391 2.67,392 0.13,393 6.92,394 2.259,395 3.398,396 2.388,397 5.094,398 2.942,399 1.952,400 2.626,402 5.664,403 1.919,404 3.125,405 2.324,406 4.679,407 2.845,408 1.903,409 2.226,411 5.114,412 1.787,413 2.966,414 2.09,415 4.454,416 2.477,417 1.566,418 2.166,420 4.259,421 1.421,422 2.843,423 1.807,424 4.349,425 2.445,426 1.499,427 1.973,428 4.04,429 1.412,430 2.735,431 1.755,432 4.14,433 2.333,434 1.414,435 1.757,436 3.39,437 1.292,438 2.507,439 1.535,440 3.936,441 2.314,442 1.374,443 1.505,445 2.995,446 1.284,447 2.5,448 1.519,449 3.654,450 2.133,451 1.227,452 1.5,454 2.987,455 1.101,456 2.5,457 1.452,458 3.57,459 2.04,460 1.098,461 1.5,463 2.888,464 1.028,465 19.933,466 0.464,467 0.934,468 0.022,469 54.75,470 1.273,471 24.5,472 0.57,473 30.25,474 0.703,475 42.974,476 0.999,477 47.267,478 0.606,479 47.752,480 1.111,481 10.63,482 0.247,483 10.366,484 0.241,485 0.084,487 0.336,493 0.804,494 1.579,495 0.758,496 1.255,497 0.587,498 1.032,499 0.884,500 1.157,501 0.883,502 0.975,503 0.56,504 0.936,505 1.094,506 1.143,507 0.962,508 0.952,509 0.825,510 0.924,511 1.205,512 0.975,513 1.038,514 0.937,515 1.232,516 0.951,517 1.265,518 1.032,519 1.077,520 0.926,521 1.517,522 0.957,523 0.822,524 1.117,525 1.033,526 1.084,527 0.837,528 1.091,529 0.771,530 0.938,531 1.018,532 0.942,533 0.523,534 0.993,535 0.468,536 1.025,537 0.971,538 1.244,539 0.461,540 1.215,541 7.5,542 0.392,543 4.889,544 2.66,545 2.027,546 1.764,547 1.352,548 0.639,549 0.432,550 0.465,551 33631,552 90641,553 2.14,554 44.9,556 20,558 3,559 2,561 6,562 4,564 1.82,565 2.031,566 3.9,567 0.184,573 127,574 1.628,575 3.861,576 5.07,577 5.548,578 5.574,579 5.599,580 3.452,581 5.101,582 5.387,583 4.126,584 3725.45,585 9.557,586 68534.3,591 490.261,592 1.301,593 5.371,594 0.156,595 0.008,596 0.073,597 0.037,598 0.029,599 0.025,600 0.019,601 0.01,602 0.007,603 0.008,604 0.373,605 0.33,606 0.63,607 0.823,608 248.655,609 -0.023,610 -0.307,611 0.076,612 -0.147,613 -0.014,614 -0.038,615 0.138,616 -0.012,617 0.05,618 0.029,619 0.131,620 0.017,621 -0.126,622 -0.078,623 0.004,624 0.023,625 -0.035,626 0.039,627 -0.122,628 0.062,629 -0.05,630 0.024,631 -0.085,632 0.002,633 -0.203,634 0.012,635 -0.102,636 0.057,637 -0.201,638 0.006,639 -0.002,640 -0.035,641 -0.097,642 -0.079,643 -0.039,644 -0.105,645 -0.004,646 0.119,647 -0.068,648 0.043,649 0.018,650 -0.005,651 0.186,652 0.008,653 -0.057,654 -0.171,655 0.137,656 -0.167,657 2.016,658 5.461,659 0.767,660 67.062,661 1.009,662 1.137,663 2.797,664 7.821,665 0.651,666 3.892,667 4.22,668 4.522,669 4.812,670 5.075,671 5.236,672 5.476,673 5.684,674 5.849,675 6.045,676 9.22,677 0.627,678 585.74,679 3.892,680 5.442,681 6.304,682 7.189,683 8.07,684 8.965,685 9.857,686 10.759,687 11.659,688 12.567,689 11.5,695 1,696 3,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 78,733 24,734 1,735 48,737 83,738 30,739 16,740 2,741 4,746 6,747 7,751 1,752 2,755 4,758 4,761 18,762 12,766 2,771 2,775 2,781 35,782 12,783 2,784 13,790 9,794 0.833,795 4,803 1,805 1,806 1,811 1,812 5,815 1,837 1,839 1,840 5,844 2,848 43,854 8,855 2,856 2,858 2,859 2,870 5.1,873 2,874 1,875 1,877 21.167,878 14.483,879 9.472,880 4.947,881 4.013,882 1.442,883 0.982,884 9.027,885 13.099,886 4.127,887 4.694,888 5.27,889 5.874,890 6.428,891 6.822,892 7.34,893 7.823,894 8.186,895 8.63,896 1,897 71,898 15.949,900 6.831,901 7.725,902 30.534,904 25.235,905 2.225,906 95.667,910 388.446,911 155.495,912 111.066,914 72.29,917 155.495,918 460.736,919 111.066,920 17.65,921 64.309,922 56.857,923 165.338,924 56.643,925 13.366,926 353.133,928 388.446,929 266.561,930 72.29,933 273.063,934 179.001,935 11,937 112.594,938 84.62,939 67.02,941 388.446,942 183.356,943 155.495,946 388.446,947 53.845,948 109.675,949 36.022,950 139.309,951 388.446,952 183.356,953 155.495,955 0.577,956 0.34,957 0.188,958 0.101,959 32,960 14,961 0.084,962 7,963 1,964 1.061,965 5.205,966 454.017,967 0.061,968 33,969 221.329,974 29.3,975 13.248,976 6.591,977 1.642,978 181.579,979 15.972,980 18.794,984 3.495,985 1.983,986 36.022,987 727.297,988 61,993 24.698,997 -0.62,999 78.712,1000 88.72,1001 0.259,1002 0.614,1003 0.807,1004 0.883,1005 0.887,1006 0.891,1007 5.378,1008 1.952,1009 6.282,1010 6.92,1011 4.905,1012 5.382,1013 2.857,1014 7.102,1015 4.8,1016 6.56,1017 1.903,1018 7.843,1019 5.664,1020 4.443,1021 5.139,1022 2.2,1023 8.015,1024 4.301,1025 7.858,1026 1.566,1027 9.505,1028 5.114,1029 6.503,1030 7.536,1031 3.824,1032 11.143,1033 6.294,1034 9.19,1035 1.499,1036 11.229,1037 4.259,1038 6.889,1039 8.172,1040 3.876,1041 12.917,1042 6.637,1043 10.559,1044 1.414,1045 12.993,1046 4.04,1047 8.391,1048 10.042,1049 5.122,1050 15.561,1051 8.08,1052 11.953,1053 1.374,1054 14.785,1055 3.39,1056 9.171,1057 11.111,1058 5.498,1059 17.698,1060 8.809,1061 13.367,1062 1.227,1063 16.599,1064 2.995,1065 10.449,1066 12.768,1067 6.553,1068 20.189,1069 10.032,1070 3.305,1071 1.098,1072 18.429,1073 2.987,1074 11.421,1075 14.064,1076 7.101,1077 22.489,1078 10.948,1079 2.931,1080 11.724,1081 20.271,1082 2.888,1083 12.611,1084 15.634,1085 8.048,1086 24.935,1087 12.084,1088 2.823,1089 9.978,1090 22.124,1091 4.639,1092 13.677,1093 17.047,1094 8.696,1095 27.312,1096 13.094,1097 2.757,1098 9.021,1099 23.986,1100 3.797,1101 14.837,1102 18.585,1103 9.58,1104 29.75,1105 14.201,1106 2.649,1107 8.563,1108 25.855,1109 3.48,1110 15.951,1111 20.057,1112 10.287,1113 32.163,1114 15.259,1115 2.436,1116 7.702,1117 27.731,1118 3.387,1119 17.107,1120 21.585,1121 11.134,1122 34.604,1123 16.361,1124 2.339,1125 7.603,1126 29.613,1127 3.157,1128 18.247,1129 23.087,1130 11.875,1131 37.037,1132 17.446,1133 31365,1134 51681,1135 32.709,1136 50.767,1137 72.365,1138 73.837,1139 73.86,1140 71.721,1141 71.734,1142 90.234,1143 13.112,1144 206.037,1145 68.034,1146 5.698,1147 5.768,1148 6.737,1149 5.356,1150 5.305,1151 7.639,1152 3.912,1153 19.354,1154 5.131,1155 18.814,1156 1.508,1157 1.538,1158 1.539,1159 1.494,1160 1.494,1161 1.88,1162 0.273,1163 4.292,1164 1.417,1165 4.144,1166 4.195,1167 4.119,1168 3.986,1169 7.434,1170 4.011,1171 3.916,1172 3.958,1173 3.862,1174 3.808,1175 7.43,1176 3.815,1177 3.861,1178 3.909,1179 3.797,1180 3.742,1181 5.136,1182 3.751,1183 3.822,1184 3.871,1185 3.732,1186 3.651,1187 4.909,1188 3.66,1189 3.746,1190 3.799,1191 3.647,1192 3.543,1193 4.75,1194 3.557,1195 3.526,1196 3.579,1197 3.413,1198 3.294,1199 4.631,1200 3.302,1201 3.422,1202 3.473,1203 3.355,1204 3.15,1205 4.5,1206 3.199,1207 3.267,1208 3.354,1209 3.166,1210 3.089,1211 4.462,1212 3.066,1213 0.098,1214 0.078,1215 0.144,1216 0.089,1217 0.069,1218 4.698,1219 0.097,1220 3.768,1221 0.046,1222 6.935,1223 0.244,1224 4.252,1225 0.065,1226 3.305,1227 4.639,1228 2.208,1229 11.724,1230 3.131,1231 1.958,1232 1.925,1233 2.051,1234 2.106,1235 1.409,1236 2.088,1237 1.851,1238 1.804,1239 2.015,1240 2.028,1241 1.259,1242 2.025,1243 1.82,1244 1.777,1245 1.964,1246 1.995,1247 1.108,1248 1.985,1249 1.791,1250 1.742,1251 1.93,1252 1.949,1253 0.948,1254 1.949,1255 1.617,1256 1.572,1257 1.803,1258 1.813,1259 0.939,1260 1.793,1261 1.488,1262 1.427,1263 1.734,1264 1.748,1265 0.906,1266 1.756,1267 1.296,1268 1.222,1269 1.631,1270 1.588,1271 0.872,1272 1.566,1273 1.282,1274 1.206,1275 1.513,1276 1.556,1277 0.825,1278 1.548,1279 4.575,1281 5.9,1282 2.398,1283 7.424,1284 4.727,1285 9.037,1286 6.862,1287 10.698,1289 3.94,1295 5.002,1296 5.636,1297 10.889,1299 0.229,1300 4.006,1305 48.9,1306 127,1307 301.164,1308 395.467,1309 432.752,1310 434.752,1311 436.752,1312 77.865,1313 9.086,1314 139.63,1315 139.63,1316 35,1317 13.086,1318 4.644,1319 3.807,1320 63.732,1321 229,1322 281,1323 0.13,1324 296.185,1325 512.28,1326 714.452,1327 129017,1329 29.761,1330 0.692,1331 0.564,1332 29.761,1333 24.271,1334 20.996,1335 0.437,1336 0.304,1337 14.322,1338 19.899,1339 14.058,1340 11.572,1341 20.996,1342 14.597,1343 18.692,1344 0.279,1345 0.159,1346 18.692,1347 10.624,1348 16.086,1349 0.177,1350 0.085,1351 16.086,1352 7.749,1353 13.811,1354 0.113,1355 0.045,1356 13.811,1357 5.507,1358 11.16,1359 0.07,1360 0.024,1361 11.16,1362 3.83,1363 0.207,1364 133.273,1365 0.175,1366 38.261,1367 0.351,1368 230,1369 705.124,1370 260.748,1371 666.609,1372 918.75,1373 628,1374 273,1375 686.769,1376 304.199,1377 683.965,1378 1009.7,1379 645,1380 7.745}
{0 CHEMBL573663,1 1.628,2 16.326,3 2.252,4 5.07,5 158.488,6 7.509,7 0.458,8 4.473,9 4.599,10 4.052,11 3.932,12 5.556,13 3.939,14 5.044,15 5.227,16 4.422,17 4.331,18 6.125,19 4.314,20 5.297,21 5.52,22 4.489,23 4.488,24 6.278,25 4.449,26 5.366,27 5.593,28 4.498,29 4.515,30 6.422,31 4.467,32 5.35,33 5.569,34 4.479,35 4.536,36 6.404,37 4.484,38 5.343,39 5.563,40 4.49,41 4.566,42 6.342,43 4.497,44 5.374,45 5.616,46 4.445,47 4.571,48 6.317,49 4.489,50 5.344,51 5.568,52 4.417,53 4.587,54 6.32,55 4.481,56 0.109,57 1.238,58 16.103,59 6.392,60 10.9,61 8.776,62 0.761,63 1.952,64 32.709,65 10.414,66 54.352,67 15.011,68 0.739,69 2.352,70 44.456,71 12.936,72 57.914,73 19.482,74 0.95,75 2.433,76 48.622,77 14.21,78 88.512,79 20.714,80 0.894,81 2.417,82 47.369,83 14.049,84 100.318,85 20.498,86 0.806,87 2.503,88 45.676,89 14.738,90 70.508,91 21.811,92 0.899,93 2.501,94 48.492,95 14.821,96 69.578,97 22.645,98 0.687,99 2.423,100 45.458,101 17.411,102 73.462,103 24.79,104 20,105 67,106 0.247,107 0.586,108 0.77,109 0.843,110 0.846,111 0.85,112 3.788,113 0.912,114 -4.03,115 -3.98,116 -3.77,119 38.5,120 2,121 2,125 6,127 2,142 6,143 2,144 2,145 3,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 15,178 2,179 1,180 4,183 6,186 2,187 7,192 2,195 2,198 6,199 19,202 1,204 5,207 4,211 2,212 8,217 2,220 2,223 4,224 15,227 3,229 1,232 11,236 5,237 3,245 10,249 6,250 8,253 4,255 1,258 10,263 9,266 1,275 4495,276 29.593,277 29.593,278 29.593,279 29.593,280 29.593,281 26.823,282 39.548,283 17.606,284 30.519,285 23.694,286 23.694,287 23.694,288 23.694,289 23.694,290 19.366,291 55.157,292 8.314,293 25.075,294 4.657,295 2.424,296 1.215,297 0.737,298 0.712,299 0.686,300 4.502,306 1537,307 4,310 108.326,311 701.206,314 193.269,318 2.472,319 44.796,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94.5,331 702,332 4.698,333 3.768,334 6.935,335 4.252,336 3.305,337 4.639,338 2.208,339 11.724,340 3.131,341 4.187,342 3.562,343 6.458,344 3.869,345 2.931,346 3.797,347 1.656,348 9.978,349 2.767,350 4.061,351 3.421,352 6.131,353 3.79,354 2.823,355 3.48,356 0.86,357 9.021,358 2.717,359 3.971,360 3.117,361 6.025,362 3.69,363 2.757,364 3.387,365 0.8,366 8.563,367 2.559,368 3.935,369 2.842,370 5.776,371 3.612,372 2.649,373 3.157,374 0.655,375 7.702,376 2.54,377 3.768,378 2.607,379 5.567,380 3.398,381 2.436,382 3.101,383 0.247,384 7.603,385 2.336,386 3.543,387 2.538,388 5.323,389 3.309,390 2.339,391 2.67,392 0.13,393 6.92,394 2.259,395 3.398,396 2.388,397 5.094,398 2.942,399 1.952,400 2.626,402 5.664,403 1.919,404 3.125,405 2.324,406 4.679,407 2.845,408 1.903,409 2.226,411 5.114,412 1.787,413 2.966,414 2.09,415 4.454,416 2.477,417 1.566,418 2.166,420 4.259,421 1.421,422 2.843,423 1.807,424 4.349,425 2.445,426 1.499,427 1.973,428 4.04,429 1.412,430 2.735,431 1.755,432 4.14,433 2.333,434 1.414,435 1.757,436 3.39,437 1.292,438 2.507,439 1.535,440 3.936,441 2.314,442 1.374,443 1.505,445 2.995,446 1.284,447 2.5,448 1.519,449 3.654,450 2.133,451 1.227,452 1.5,454 2.987,455 1.101,456 2.5,457 1.452,458 3.57,459 2.04,460 1.098,461 1.5,463 2.888,464 1.028,465 19.933,466 0.464,467 0.934,468 0.022,469 54.75,470 1.273,471 24.5,472 0.57,473 30.25,474 0.703,475 42.974,476 0.999,477 47.267,478 0.606,479 47.752,480 1.111,481 10.63,482 0.247,483 10.366,484 0.241,485 0.084,487 0.336,493 0.804,494 1.579,495 0.758,496 1.255,497 0.587,498 1.032,499 0.884,500 1.157,501 0.883,502 0.975,503 0.56,504 0.936,505 1.094,506 1.143,507 0.962,508 0.952,509 0.825,510 0.924,511 1.205,512 0.975,513 1.038,514 0.937,515 1.232,516 0.951,517 1.265,518 1.032,519 1.077,520 0.926,521 1.517,522 0.957,523 0.822,524 1.117,525 1.033,526 1.084,527 0.837,528 1.091,529 0.771,530 0.938,531 1.018,532 0.942,533 0.523,534 0.993,535 0.468,536 1.025,537 0.971,538 1.244,539 0.461,540 1.215,541 7.5,542 0.392,543 4.889,544 2.66,545 2.027,546 1.764,547 1.352,548 0.639,549 0.432,550 0.465,551 33631,552 90641,553 2.14,554 44.9,556 20,558 3,559 2,561 6,562 4,564 1.82,565 2.031,566 3.9,567 0.184,573 127,574 1.628,575 3.861,576 5.07,577 5.548,578 5.574,579 5.599,580 3.452,581 5.101,582 5.387,583 4.126,584 3725.45,585 9.557,586 68534.3,591 490.261,592 1.301,593 5.371,594 0.156,595 0.008,596 0.073,597 0.037,598 0.029,599 0.025,600 0.019,601 0.01,602 0.007,603 0.008,604 0.373,605 0.33,606 0.63,607 0.823,608 248.655,609 -0.023,610 -0.307,611 0.076,612 -0.147,613 -0.014,614 -0.038,615 0.138,616 -0.012,617 0.05,618 0.029,619 0.131,620 0.017,621 -0.126,622 -0.078,623 0.004,624 0.023,625 -0.035,626 0.039,627 -0.122,628 0.062,629 -0.05,630 0.024,631 -0.085,632 0.002,633 -0.203,634 0.012,635 -0.102,636 0.057,637 -0.201,638 0.006,639 -0.002,640 -0.035,641 -0.097,642 -0.079,643 -0.039,644 -0.105,645 -0.004,646 0.119,647 -0.068,648 0.043,649 0.018,650 -0.005,651 0.186,652 0.008,653 -0.057,654 -0.171,655 0.137,656 -0.167,657 2.016,658 5.461,659 0.767,660 67.062,661 1.009,662 1.137,663 2.797,664 7.821,665 0.651,666 3.892,667 4.22,668 4.522,669 4.812,670 5.075,671 5.236,672 5.476,673 5.684,674 5.849,675 6.045,676 9.22,677 0.627,678 585.74,679 3.892,680 5.442,681 6.304,682 7.189,683 8.07,684 8.965,685 9.857,686 10.759,687 11.659,688 12.567,689 11.5,695 1,696 3,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 78,733 24,734 1,735 48,737 83,738 30,739 16,740 2,741 4,746 6,747 7,751 1,752 2,755 4,758 4,761 18,762 12,766 2,771 2,775 2,781 35,782 12,783 2,784 13,790 9,794 0.833,795 4,803 1,805 1,806 1,811 1,812 5,815 1,837 1,839 1,840 5,844 2,848 43,854 8,855 2,856 2,858 2,859 2,870 5.1,873 2,874 1,875 1,877 21.167,878 14.483,879 9.472,880 4.947,881 4.013,882 1.442,883 0.982,884 9.027,885 13.099,886 4.127,887 4.694,888 5.27,889 5.874,890 6.428,891 6.822,892 7.34,893 7.823,894 8.186,895 8.63,896 1,897 71,898 15.949,900 6.831,901 7.725,902 30.534,904 25.235,905 2.225,906 95.667,910 388.446,911 155.495,912 111.066,914 72.29,917 155.495,918 460.736,919 111.066,920 17.65,921 64.309,922 56.857,923 165.338,924 56.643,925 13.366,926 353.133,928 388.446,929 266.561,930 72.29,933 273.063,934 179.001,935 11,937 112.594,938 84.62,939 67.02,941 388.446,942 183.356,943 155.495,946 388.446,947 53.845,948 109.675,949 36.022,950 139.309,951 388.446,952 183.356,953 155.495,955 0.577,956 0.34,957 0.188,958 0.101,959 32,960 14,961 0.084,962 7,963 1,964 1.061,965 5.205,966 454.017,967 0.061,968 33,969 221.329,974 29.3,975 13.248,976 6.591,977 1.642,978 181.579,979 15.972,980 18.794,984 3.495,985 1.983,986 36.022,987 727.297,988 61,993 24.698,997 -0.62,999 78.712,1000 88.72,1001 0.259,1002 0.614,1003 0.807,1004 0.883,1005 0.887,1006 0.891,1007 5.378,1008 1.952,1009 6.282,1010 6.92,1011 4.905,1012 5.382,1013 2.857,1014 7.102,1015 4.8,1016 6.56,1017 1.903,1018 7.843,1019 5.664,1020 4.443,1021 5.139,1022 2.2,1023 8.015,1024 4.301,1025 7.858,1026 1.566,1027 9.505,1028 5.114,1029 6.503,1030 7.536,1031 3.824,1032 11.143,1033 6.294,1034 9.19,1035 1.499,1036 11.229,1037 4.259,1038 6.889,1039 8.172,1040 3.876,1041 12.917,1042 6.637,1043 10.559,1044 1.414,1045 12.993,1046 4.04,1047 8.391,1048 10.042,1049 5.122,1050 15.561,1051 8.08,1052 11.953,1053 1.374,1054 14.785,1055 3.39,1056 9.171,1057 11.111,1058 5.498,1059 17.698,1060 8.809,1061 13.367,1062 1.227,1063 16.599,1064 2.995,1065 10.449,1066 12.768,1067 6.553,1068 20.189,1069 10.032,1070 3.305,1071 1.098,1072 18.429,1073 2.987,1074 11.421,1075 14.064,1076 7.101,1077 22.489,1078 10.948,1079 2.931,1080 11.724,1081 20.271,1082 2.888,1083 12.611,1084 15.634,1085 8.048,1086 24.935,1087 12.084,1088 2.823,1089 9.978,1090 22.124,1091 4.639,1092 13.677,1093 17.047,1094 8.696,1095 27.312,1096 13.094,1097 2.757,1098 9.021,1099 23.986,1100 3.797,1101 14.837,1102 18.585,1103 9.58,1104 29.75,1105 14.201,1106 2.649,1107 8.563,1108 25.855,1109 3.48,1110 15.951,1111 20.057,1112 10.287,1113 32.163,1114 15.259,1115 2.436,1116 7.702,1117 27.731,1118 3.387,1119 17.107,1120 21.585,1121 11.134,1122 34.604,1123 16.361,1124 2.339,1125 7.603,1126 29.613,1127 3.157,1128 18.247,1129 23.087,1130 11.875,1131 37.037,1132 17.446,1133 31365,1134 51681,1135 32.709,1136 50.767,1137 72.365,1138 73.837,1139 73.86,1140 71.721,1141 71.734,1142 90.234,1143 13.112,1144 206.037,1145 68.034,1146 5.698,1147 5.768,1148 6.737,1149 5.356,1150 5.305,1151 7.639,1152 3.912,1153 19.354,1154 5.131,1155 18.814,1156 1.508,1157 1.538,1158 1.539,1159 1.494,1160 1.494,1161 1.88,1162 0.273,1163 4.292,1164 1.417,1165 4.144,1166 4.195,1167 4.119,1168 3.986,1169 7.434,1170 4.011,1171 3.916,1172 3.958,1173 3.862,1174 3.808,1175 7.43,1176 3.815,1177 3.861,1178 3.909,1179 3.797,1180 3.742,1181 5.136,1182 3.751,1183 3.822,1184 3.871,1185 3.732,1186 3.651,1187 4.909,1188 3.66,1189 3.746,1190 3.799,1191 3.647,1192 3.543,1193 4.75,1194 3.557,1195 3.526,1196 3.579,1197 3.413,1198 3.294,1199 4.631,1200 3.302,1201 3.422,1202 3.473,1203 3.355,1204 3.15,1205 4.5,1206 3.199,1207 3.267,1208 3.354,1209 3.166,1210 3.089,1211 4.462,1212 3.066,1213 0.098,1214 0.078,1215 0.144,1216 0.089,1217 0.069,1218 4.698,1219 0.097,1220 3.768,1221 0.046,1222 6.935,1223 0.244,1224 4.252,1225 0.065,1226 3.305,1227 4.639,1228 2.208,1229 11.724,1230 3.131,1231 1.958,1232 1.925,1233 2.051,1234 2.106,1235 1.409,1236 2.088,1237 1.851,1238 1.804,1239 2.015,1240 2.028,1241 1.259,1242 2.025,1243 1.82,1244 1.777,1245 1.964,1246 1.995,1247 1.108,1248 1.985,1249 1.791,1250 1.742,1251 1.93,1252 1.949,1253 0.948,1254 1.949,1255 1.617,1256 1.572,1257 1.803,1258 1.813,1259 0.939,1260 1.793,1261 1.488,1262 1.427,1263 1.734,1264 1.748,1265 0.906,1266 1.756,1267 1.296,1268 1.222,1269 1.631,1270 1.588,1271 0.872,1272 1.566,1273 1.282,1274 1.206,1275 1.513,1276 1.556,1277 0.825,1278 1.548,1279 4.575,1281 5.9,1282 2.398,1283 7.424,1284 4.727,1285 9.037,1286 6.862,1287 10.698,1289 3.94,1295 5.002,1296 5.636,1297 10.889,1299 0.229,1300 4.006,1305 48.9,1306 127,1307 301.164,1308 395.467,1309 432.752,1310 434.752,1311 436.752,1312 77.865,1313 9.086,1314 139.63,1315 139.63,1316 35,1317 13.086,1318 4.644,1319 3.807,1320 63.732,1321 229,1322 281,1323 0.13,1324 296.185,1325 512.28,1326 714.452,1327 129017,1329 29.761,1330 0.692,1331 0.564,1332 29.761,1333 24.271,1334 20.996,1335 0.437,1336 0.304,1337 14.322,1338 19.899,1339 14.058,1340 11.572,1341 20.996,1342 14.597,1343 18.692,1344 0.279,1345 0.159,1346 18.692,1347 10.624,1348 16.086,1349 0.177,1350 0.085,1351 16.086,1352 7.749,1353 13.811,1354 0.113,1355 0.045,1356 13.811,1357 5.507,1358 11.16,1359 0.07,1360 0.024,1361 11.16,1362 3.83,1363 0.207,1364 133.273,1365 0.175,1366 38.261,1367 0.351,1368 230,1369 705.124,1370 260.748,1371 666.609,1372 918.75,1373 628,1374 273,1375 686.769,1376 304.199,1377 683.965,1378 1009.7,1379 645,1380 6.287}
{0 CHEMBL574012,1 1.641,2 13.263,3 1.618,4 2.617,5 138.582,6 7.438,7 0.372,8 4.375,9 4.502,10 3.949,11 3.821,12 5.429,13 3.83,14 4.976,15 5.161,16 4.344,17 4.256,18 6.019,19 4.24,20 5.233,21 5.456,22 4.423,23 4.431,24 6.19,25 4.385,26 5.319,27 5.553,28 4.382,29 4.433,30 6.334,31 4.379,32 5.221,33 5.443,34 4.375,35 4.443,36 6.211,37 4.386,38 5.234,39 5.449,40 4.403,41 4.466,42 6.189,43 4.399,44 5.268,45 5.514,46 4.343,47 4.435,48 6.206,49 4.364,50 5.194,51 5.402,52 4.332,53 4.467,54 6.181,55 4.376,56 0.112,57 1.117,58 14.921,59 5.754,60 9.523,61 8.052,62 0.782,63 1.802,64 31.131,65 9.652,66 52.545,67 14.141,68 0.637,69 2.191,70 41.519,71 12.358,72 50.601,73 19.003,74 1.056,75 2.226,76 47.659,77 13.043,78 95.06,79 19.516,80 0.739,81 2.16,82 41.39,83 12.709,84 74.84,85 19.008,86 0.639,87 2.267,88 40.598,89 13.007,90 49.686,91 19.796,92 0.912,93 2.205,94 44.266,95 12.321,96 66.244,97 19.6,98 0.642,99 2.118,100 38.573,101 14.871,102 63.122,103 20.977,104 26,105 62,106 0.256,107 0.599,108 0.786,109 0.819,110 0.819,111 0.819,112 3.668,113 0.913,114 -3.9,115 -3.86,116 -3.66,119 37.1,121 4,124 2,125 4,127 3,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 13,178 2,179 1,180 2,183 5,186 2,187 8,192 2,195 2,198 6,199 16,204 3,207 5,211 2,212 8,217 2,220 2,223 3,224 18,227 2,229 1,232 6,236 5,237 3,245 8,249 6,250 5,253 4,255 1,258 12,263 6,266 1,275 2984,276 26.273,277 26.273,278 26.273,279 26.273,280 26.273,281 24.254,282 36.889,283 15.128,284 27.078,285 21.094,286 21.094,287 21.094,288 21.094,289 21.094,290 17.742,291 49.671,292 7.012,293 22.247,294 4.489,295 2.292,296 1.089,297 0.879,298 0.879,299 0.879,300 4.384,306 1109,307 3.873,310 165.426,311 430.378,312 108.911,314 156.373,318 1.911,319 40.107,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 84,331 504,332 4.707,333 3.761,334 7.025,335 4.292,336 3.347,337 4.64,338 2.208,339 12.065,340 3.163,341 4.194,342 3.54,343 6.648,344 4,345 3.058,346 3.796,347 1.656,348 10.674,349 2.878,350 4.167,351 3.517,352 6.155,353 3.814,354 2.849,355 3.435,356 0.86,357 9.105,358 2.758,359 3.947,360 3.2,361 6.027,362 3.706,363 2.761,364 3.189,365 0.8,366 8.557,367 2.596,368 3.841,369 2.853,370 5.899,371 3.511,372 2.553,373 3.098,374 0.655,375 8.101,376 2.433,377 3.656,378 2.632,379 5.464,380 3.387,381 2.416,382 2.833,383 0.247,384 7.308,385 2.331,386 3.447,387 2.396,388 5.185,389 3.03,390 2.044,391 2.682,392 0.13,393 5.951,394 2.001,395 3.17,396 2.328,397 5.086,398 2.879,399 1.933,400 2.282,402 5.839,403 1.822,404 2.959,405 2.09,406 4.782,407 2.851,408 1.879,409 2.157,411 5.327,412 1.822,413 2.879,414 2.016,415 4.472,416 2.441,417 1.496,418 1.879,420 4.269,421 1.412,422 2.715,423 1.757,424 4.343,425 2.407,426 1.475,427 1.734,428 3.869,429 1.36,430 2.5,431 1.535,432 4.107,433 2.18,434 1.313,435 1.5,436 3.169,437 1.128,438 2.5,439 1.461,440 3.912,441 2.021,442 1.073,443 1.492,445 2.859,446 1.012,447 2.347,448 1.15,449 3.609,450 2.003,451 1.046,452 1.333,454 2.688,455 1,456 2.205,457 1.11,458 3.515,459 2,460 1,461 1.165,463 2.275,464 0.997,465 17.533,466 0.461,467 0.88,468 0.023,469 45.25,470 1.191,471 18,472 0.474,473 27.25,474 0.717,475 38.881,476 1.023,477 42.467,478 0.607,479 38.68,480 1.018,481 8.708,482 0.229,483 9.842,484 0.259,485 0.095,487 0.382,493 0.799,494 1.614,495 0.759,496 1.284,497 0.558,498 1.048,499 0.874,500 1.097,501 0.881,502 0.921,503 0.54,504 0.905,505 0.912,506 1.209,507 0.927,508 1.046,509 0.709,510 0.984,511 1.285,512 0.901,513 1.086,514 0.853,515 1.347,516 0.917,517 1.005,518 1.04,519 0.988,520 0.93,521 1.059,522 0.945,523 0.735,524 1.283,525 1.011,526 1.184,527 0.67,528 1.149,529 0.818,530 0.916,531 1.017,532 0.88,533 0.537,534 0.943,535 0.496,536 1.02,537 0.996,538 1.264,539 0.459,540 1.239,541 7,542 0.359,543 4.889,544 2.16,545 1.685,546 1.514,547 1.186,548 0.68,549 0.389,550 0.393,551 22193,552 59798,553 2.159,554 45.7,556 21,558 1,559 2,561 4,562 4,564 1.793,565 2.036,566 3.611,567 0.227,573 114.838,574 1.641,575 3.837,576 5.04,577 5.251,578 5.251,579 5.251,580 3.09,581 4.669,582 5.209,583 3.829,584 2691.73,585 9.219,586 43532.5,591 429.05,592 1.36,593 5.187,594 0.163,595 0.009,596 0.079,597 0.033,598 0.027,599 0.024,600 0.019,601 0.011,602 0.007,603 0.008,604 0.378,605 0.33,606 0.63,607 1.065,608 208.574,609 -0.027,610 -0.31,611 0.082,612 -0.146,613 0.003,614 -0.032,615 0.123,616 0.063,617 0.054,618 0.097,619 0.123,620 0.059,621 -0.069,622 -0.124,623 0.016,624 -0.042,625 0.022,626 0.001,627 -0.186,628 0.121,629 -0.089,630 0.099,631 -0.168,632 0.032,633 -0.132,634 0.034,635 -0.044,636 0.087,637 -0.145,638 0.048,639 -0.006,640 -0.163,641 -0.096,642 -0.154,643 -0.061,644 -0.149,645 -0.026,646 0.16,647 -0.062,648 0.083,649 0.006,650 0.027,651 0.17,652 0.077,653 -0.102,654 -0.168,655 0.142,656 -0.191,657 1.96,658 4.98,659 0.763,660 48.238,661 1.01,662 1.14,663 2.669,664 7.126,665 0.643,666 3.784,667 4.143,668 4.489,669 4.804,670 5.088,671 5.308,672 5.549,673 5.778,674 5.976,675 6.186,676 7.702,677 0.619,678 520.66,679 3.784,680 5.352,681 6.236,682 7.14,683 8.043,684 8.957,685 9.871,686 10.792,687 11.712,688 12.638,689 11.4,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 70,733 18,734 1,735 43,737 75,738 26,739 11,740 2,741 4,746 6,747 8,751 1,755 7,758 7,761 13,762 13,766 2,771 2,775 2,781 32,782 11,783 2,784 12,790 8,794 0.667,795 4,803 1,806 1,808 1,811 2,812 4,813 1,815 1,837 1,839 1,840 4,844 2,848 38,854 8,855 2,856 2,858 3,859 2,870 5.7,873 2,874 1,875 1,877 18.667,878 13.033,879 8.333,880 4.329,881 3.082,882 1.345,883 0.985,884 7.121,885 12.028,886 3.989,887 4.562,888 5.157,889 5.762,890 6.335,891 6.81,892 7.345,893 7.848,894 8.234,895 8.675,896 1,897 66,898 14.117,900 6.152,901 7.719,902 27.22,904 23.189,905 2.219,906 84.333,910 353.133,911 115.691,912 94.281,914 72.29,917 115.691,918 425.423,919 94.281,920 19.279,921 62.68,922 37.905,923 125.01,924 35.791,925 13.366,926 341.362,928 353.133,929 209.972,930 72.29,933 261.292,934 155.459,935 11,937 75.219,938 82.19,939 50.234,941 353.133,942 166.57,943 115.691,946 353.133,947 49.459,948 74.257,949 36.022,950 122.524,951 353.133,952 166.57,953 115.691,955 0.585,956 0.356,957 0.189,958 0.102,959 32,960 14,961 0.067,962 5,963 3,964 1.172,965 4.712,966 401.794,967 0.207,968 28,969 185.421,974 25.349,975 10.675,976 4.845,977 1.723,978 164.794,979 9.401,980 14.887,984 3.04,985 2.002,986 36.022,987 635.394,988 53,993 23.681,997 -0.569,999 70.727,1000 79.806,1001 0.268,1002 0.626,1003 0.822,1004 0.857,1005 0.857,1006 0.857,1007 5.268,1008 1.933,1009 6.232,1010 5.951,1011 4.828,1012 5.25,1013 2.857,1014 7.093,1015 4.727,1016 6.455,1017 1.879,1018 7.82,1019 5.839,1020 4.443,1021 5.094,1022 2.2,1023 8.085,1024 4.301,1025 7.767,1026 1.496,1027 9.506,1028 5.327,1029 6.469,1030 7.411,1031 3.824,1032 11.221,1033 6.265,1034 9.114,1035 1.475,1036 11.252,1037 4.269,1038 6.929,1039 8.131,1040 3.876,1041 13.066,1042 6.674,1043 10.496,1044 1.313,1045 13.037,1046 3.869,1047 8.406,1048 9.942,1049 5.122,1050 15.729,1051 8.096,1052 11.902,1053 1.073,1054 14.849,1055 3.169,1056 9.247,1057 11.074,1058 5.498,1059 17.926,1060 8.879,1061 13.328,1062 1.046,1063 16.682,1064 2.859,1065 10.518,1066 12.7,1067 6.553,1068 20.442,1069 10.097,1070 3.347,1071 1,1072 18.531,1073 2.688,1074 11.536,1075 14.036,1076 7.101,1077 22.791,1078 11.053,1079 3.058,1080 12.065,1081 20.392,1082 2.275,1083 12.732,1084 15.592,1085 8.048,1086 25.265,1087 12.195,1088 2.849,1089 10.674,1090 22.264,1091 4.64,1092 13.831,1093 17.029,1094 8.696,1095 27.68,1096 13.233,1097 2.761,1098 9.105,1099 24.144,1100 3.796,1101 15.005,1102 18.562,1103 9.58,1104 30.145,1105 14.351,1106 2.553,1107 8.557,1108 26.032,1109 3.435,1110 16.144,1111 20.047,1112 10.287,1113 32.591,1114 15.43,1115 2.416,1116 8.101,1117 27.927,1118 3.189,1119 17.315,1120 21.574,1121 11.134,1122 35.059,1123 16.544,1124 2.044,1125 7.308,1126 29.826,1127 3.098,1128 18.476,1129 23.083,1130 11.875,1131 37.521,1132 17.646,1133 20776,1134 34209,1135 29.244,1136 45,1137 65.436,1138 67.633,1139 68.119,1140 64.859,1141 64.931,1142 79.231,1143 13.112,1144 193.817,1145 61.645,1146 5.707,1147 5.761,1148 6.576,1149 5.396,1150 5.347,1151 7.64,1152 3.912,1153 19.768,1154 5.163,1155 17.709,1156 1.522,1157 1.573,1158 1.584,1159 1.508,1160 1.51,1161 1.843,1162 0.305,1163 4.507,1164 1.434,1165 4.152,1166 4.203,1167 4.125,1168 3.994,1169 7.434,1170 4.019,1171 3.907,1172 3.961,1173 3.845,1174 3.812,1175 7.43,1176 3.815,1177 3.902,1178 3.939,1179 3.809,1180 3.739,1181 5.136,1182 3.747,1183 3.786,1184 3.839,1185 3.702,1186 3.615,1187 4.752,1188 3.624,1189 3.549,1190 3.617,1191 3.474,1192 3.255,1193 4.647,1194 3.299,1195 3.426,1196 3.456,1197 3.34,1198 3.12,1199 4.521,1200 3.172,1201 3.229,1202 3.306,1203 3.147,1204 3,1205 4.476,1206 3.023,1207 3.144,1208 3.206,1209 2.959,1210 2.951,1211 4.206,1212 2.926,1213 0.109,1214 0.087,1215 0.163,1216 0.1,1217 0.078,1218 4.707,1219 0.108,1220 3.761,1221 0.051,1222 7.025,1223 0.281,1224 4.292,1225 0.074,1226 3.347,1227 4.64,1228 2.208,1229 12.065,1230 3.163,1231 1.954,1232 1.923,1233 2.048,1234 2.099,1235 1.409,1236 2.081,1237 1.847,1238 1.796,1239 2.012,1240 2.021,1241 1.255,1242 2.019,1243 1.766,1244 1.722,1245 1.885,1246 1.942,1247 1.22,1248 1.928,1249 1.604,1250 1.543,1251 1.86,1252 1.801,1253 1.105,1254 1.798,1255 1.568,1256 1.524,1257 1.718,1258 1.76,1259 0.882,1260 1.775,1261 1.423,1262 1.349,1263 1.686,1264 1.723,1265 0.825,1266 1.71,1267 1.339,1268 1.291,1269 1.602,1270 1.666,1271 0.688,1272 1.631,1273 1.2,1274 1.123,1275 1.513,1276 1.521,1277 0.629,1278 1.504,1279 4.466,1281 5.814,1282 3.045,1283 7.362,1284 5.476,1285 9,1286 7.618,1287 10.689,1289 2.991,1295 6.284,1296 5.338,1297 10.737,1299 0.681,1300 4.137,1305 43.352,1306 114.838,1307 268.589,1308 352.785,1309 367.54,1310 367.54,1311 367.54,1312 65.781,1313 8.945,1314 126.74,1315 126.74,1316 34,1317 13.144,1318 4.248,1319 3.459,1320 52.779,1321 170,1322 214,1323 0.149,1324 259.804,1325 450.9,1326 625.681,1327 98029,1329 26.225,1330 0.69,1331 0.568,1332 26.225,1333 21.592,1334 18.55,1335 0.431,1336 0.304,1337 12.816,1338 17.523,1339 12.581,1340 10.326,1341 18.55,1342 13.088,1343 16.66,1344 0.269,1345 0.161,1346 16.66,1347 9.997,1348 15.136,1349 0.172,1350 0.089,1351 15.136,1352 7.79,1353 12.714,1354 0.105,1355 0.048,1356 12.714,1357 5.797,1358 10.564,1359 0.066,1360 0.026,1361 10.564,1362 4.14,1363 0.231,1364 118.421,1365 0.185,1366 34.051,1367 0.418,1368 210,1369 633.479,1370 238.362,1371 594.412,1372 819.08,1373 560,1374 255,1375 611.255,1376 284.701,1377 610.015,1378 905.95,1379 573,1380 5.369}
{0 CHEMBL574193,1 1.513,2 13.114,3 3.396,4 11.535,5 135.457,6 7.24,7 0.55,8 4.29,9 4.413,10 3.852,11 3.809,12 5.315,13 3.793,14 4.864,15 5.047,16 4.214,17 4.223,18 5.829,19 4.187,20 5.138,21 5.364,22 4.266,23 4.375,24 6.037,25 4.298,26 5.202,27 5.463,28 4.224,29 4.38,30 6.052,31 4.281,32 5.147,33 5.391,34 4.25,35 4.395,36 5.997,37 4.305,38 5.162,39 5.389,40 4.28,41 4.411,42 6.08,43 4.328,44 5.183,45 5.422,46 4.205,47 4.393,48 6.059,49 4.295,50 5.165,51 5.407,52 4.098,53 4.386,54 5.985,55 4.251,56 0.054,57 1.012,58 14.077,59 5.811,60 10.193,61 7.867,62 0.304,63 1.687,64 27.473,65 9.405,66 26.42,67 13.26,68 0.417,69 2.078,70 38.006,71 12.507,72 42.033,73 18.373,74 0.544,75 2.186,76 41.752,77 13.308,78 46.525,79 20.053,80 0.369,81 2.099,82 38.445,83 13.031,84 38.472,85 19.529,86 0.44,87 2.167,88 38.488,89 12.524,90 47.002,91 18.707,92 0.551,93 2.132,94 40.193,95 12.819,96 46.859,97 19.13,98 0.396,99 2.027,100 39.163,101 14.726,102 39.161,103 21.256,104 2,105 56,106 0.239,107 0.57,108 0.733,109 0.802,110 0.809,111 0.809,112 3.589,113 0.929,114 -5.31,115 -5.2,116 -4.86,119 41.5,121 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,161 1,166 1,172 10,174 3,175 12,180 2,183 11,186 2,187 8,192 2,195 5,198 6,199 10,204 1,207 5,211 2,212 7,220 6,223 1,224 12,227 2,232 8,236 3,237 6,245 6,249 2,250 8,253 2,255 1,258 5,263 11,266 1,271 2,275 2453,276 24.447,277 24.447,278 24.447,279 24.447,280 24.447,281 21.909,282 29.163,283 14.588,284 25.051,285 19.817,286 19.817,287 19.817,288 19.817,289 19.817,290 16,291 39.253,292 7.019,293 20.829,294 4.509,295 2.407,296 1.374,297 0.935,298 0.892,299 0.892,300 4.312,305 1,306 1032,307 2.55,310 78.106,311 525.606,314 142.266,318 2.003,319 26.363,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 459,332 4.693,333 3.38,334 6.903,335 4.237,336 3.288,337 4.638,338 0.916,339 11.616,340 3.119,341 4.171,342 3.077,343 6.329,344 3.817,345 2.864,346 3.783,347 0.86,348 9.594,349 2.744,350 3.991,351 2.948,352 6.104,353 3.714,354 2.751,355 3.457,356 0.8,357 8.919,358 2.642,359 3.928,360 2.838,361 5.637,362 3.606,363 2.649,364 3.354,365 0.172,366 7.742,367 2.544,368 3.655,369 2.563,370 5.516,371 3.326,372 2.367,373 3.063,375 7.116,376 2.254,377 3.522,378 2.457,379 5.045,380 3.223,381 2.271,382 2.605,384 6.1,385 2.152,386 3.257,387 2.354,388 5.044,389 3.039,390 2.095,391 2.346,393 6.043,394 1.969,395 2.97,396 2.121,397 4.745,398 2.654,399 1.734,400 2.182,402 4.82,403 1.593,404 2.935,405 1.58,406 4.399,407 2.437,408 1.49,409 2.043,411 4.225,412 1.409,413 2.816,414 1.536,415 4.082,416 2.414,417 1.427,418 1.906,420 3.225,421 1.401,422 2.528,423 1.486,424 3.755,425 2.152,426 1.251,427 1.539,428 2.992,429 1.119,430 2.5,431 1.256,432 3.587,433 2.04,434 1.096,435 1.5,436 2.876,437 1.029,438 2.5,439 1.116,440 3.423,441 2,442 1,443 1.5,445 2.275,446 1,447 2.387,448 1.077,449 3.414,450 2,451 1,452 1.376,454 2.275,455 1,456 2.01,457 1,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 16.567,466 0.473,467 0.688,468 0.02,469 45,470 1.286,471 21,472 0.6,473 24,474 0.686,475 32.205,476 0.92,477 37.433,478 0.576,479 34.481,480 0.985,481 8.717,482 0.249,483 8.526,484 0.244,485 0.02,487 0.314,493 0.878,494 1.409,495 0.794,496 1.14,497 0.856,498 0.988,499 1.189,500 1.143,501 0.972,502 0.977,503 0.738,504 0.945,505 1.07,506 1.189,507 1.011,508 1.022,509 0.841,510 1.008,511 0.829,512 0.92,513 0.956,514 0.887,515 0.832,516 0.918,517 0.722,518 1.059,519 0.899,520 0.948,521 0.675,522 0.934,523 0.919,524 1.162,525 1.082,526 1.076,527 0.703,528 1.08,529 1.015,530 1.012,531 1.137,532 1.011,533 0.839,534 1.061,535 0.626,536 1.04,537 1.064,538 1.186,539 0.69,540 1.184,541 5.5,542 0.193,543 3.556,544 1.597,545 1.596,546 1.33,547 0.951,548 0.451,549 0.325,550 0.292,551 19399,552 44811,553 2.227,554 46.2,556 24,558 1,559 1,562 4,564 1.77,565 2.165,566 3.625,567 -0.373,573 98.355,574 1.513,575 3.615,576 4.649,577 5.088,578 5.13,579 5.13,580 3.087,581 4.672,582 5.093,583 3.819,584 2272.45,585 8.966,586 35003.3,591 391.454,592 1.069,593 5.093,594 0.138,595 0.006,596 0.063,597 0.028,598 0.03,599 0.023,600 0.017,601 0.009,602 0.007,603 0.007,604 0.327,605 0.17,606 0.75,607 0.293,608 188.392,609 0.021,610 -0.208,611 0.083,612 -0.077,613 -0.012,614 -0.007,615 -0.081,616 0.002,617 -0.024,618 0.004,619 0.026,620 -0.004,621 -0.062,622 -0.136,623 -0.038,624 -0.052,625 0.026,626 -0.047,627 0.028,628 0.117,629 0.029,630 0.055,631 -0.024,632 0.043,633 0.022,634 -0.016,635 0.059,636 0.03,637 -0.034,638 0.049,639 -0.025,640 -0.07,641 -0.123,642 -0.117,643 0.013,644 -0.127,645 -0.052,646 0.049,647 -0.162,648 -0.06,649 -0.08,650 -0.109,651 0.095,652 -0.051,653 -0.117,654 -0.17,655 0.016,656 -0.172,657 1.435,658 3.749,659 0.943,660 43.017,661 0.998,662 1.129,663 4.083,664 16.672,665 0.663,666 3.714,667 4.043,668 4.357,669 4.663,670 4.963,671 5.106,672 5.342,673 5.557,674 5.73,675 5.881,676 7.582,677 0.629,678 470.63,679 3.714,680 5.263,681 6.129,682 7.015,683 7.901,684 8.797,685 9.694,686 10.598,687 11.502,688 12.412,689 9.2,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,728 1,731 65,733 22,734 2,735 40,737 70,738 27,739 17,740 3,741 9,746 6,747 7,755 3,758 3,761 17,762 10,781 30,782 7,783 1,784 8,790 6,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,853 1,854 9,856 1,858 1,859 2,870 3.1,872 1,874 1,877 16.167,878 11.483,879 7.583,880 4.086,881 3.729,882 1.429,883 1.003,884 6.383,885 12.412,886 3.951,887 4.546,888 5.161,889 5.781,890 6.359,891 6.735,892 7.233,893 7.708,894 8.073,895 8.458,896 0.889,897 57,898 12.975,900 5.599,901 7.529,902 25.504,904 21.736,905 2.029,906 71,910 341.362,911 134.431,912 58.259,914 53.683,917 134.431,918 395.045,919 58.259,921 24.782,922 85.286,923 117.404,924 28.345,925 2.328,926 329.591,928 341.362,929 192.691,930 53.683,933 296.605,934 89.768,935 11,937 40.446,938 99.683,939 50.234,941 341.362,942 111.942,943 134.431,946 341.362,947 40.098,948 102.359,950 103.917,951 341.362,952 111.942,953 134.431,955 0.579,956 0.338,957 0.188,958 0.109,959 29,960 11,961 0.071,962 5,963 1,964 1.061,965 4.648,966 352.042,967 0.061,968 33,969 163.525,974 22.475,975 9.94,976 4.766,977 1.868,978 110.166,979 19.683,980 14.777,984 4.036,985 2.116,986 42.683,987 587.736,988 51,999 64.869,1000 73.391,1001 0.251,1002 0.6,1003 0.772,1004 0.845,1005 0.852,1006 0.852,1007 5.196,1008 1.734,1009 6.098,1010 6.043,1011 4.727,1012 5.234,1013 1.598,1014 6.913,1015 4.632,1016 6.377,1017 1.49,1018 7.649,1019 4.82,1020 4.205,1021 4.945,1022 0.57,1023 7.803,1024 4.05,1025 7.673,1026 1.427,1027 9.302,1028 4.225,1029 6.315,1030 7.422,1031 1.256,1032 10.944,1033 6.127,1034 9.006,1035 1.251,1036 11.019,1037 3.225,1038 6.661,1039 8.048,1040 0.581,1041 12.719,1042 6.412,1043 10.377,1044 1.096,1045 12.779,1046 2.992,1047 8.195,1048 9.962,1049 1.023,1050 15.37,1051 7.912,1052 11.776,1053 1,1054 14.569,1055 2.876,1056 8.953,1057 11.036,1058 0.515,1059 17.514,1060 8.61,1061 13.196,1062 1,1063 16.381,1064 2.275,1065 10.25,1066 12.716,1067 0.84,1068 20.009,1069 9.868,1070 3.288,1071 1,1072 18.211,1073 2.275,1074 11.213,1075 14.02,1076 0.441,1077 22.315,1078 10.771,1079 2.864,1080 11.616,1081 20.054,1082 2.136,1083 12.414,1084 15.601,1085 0.689,1086 24.764,1087 11.929,1088 2.751,1089 9.594,1090 21.909,1091 4.638,1092 13.48,1093 17.02,1094 0.373,1095 27.142,1096 12.935,1097 2.649,1098 8.919,1099 23.773,1100 3.783,1101 14.649,1102 18.564,1103 0.564,1104 29.58,1105 14.056,1106 2.367,1107 7.742,1108 25.645,1109 3.457,1110 15.766,1111 20.04,1112 0.314,1113 31.992,1114 15.115,1115 2.271,1116 7.116,1117 27.524,1118 3.354,1119 16.928,1120 21.572,1121 0.461,1122 34.43,1123 16.226,1124 2.095,1125 6.1,1126 29.409,1127 3.063,1128 18.072,1129 23.076,1130 0.264,1131 36.86,1132 17.314,1133 17647,1134 27002,1135 28.027,1136 43.08,1137 60.377,1138 60.354,1139 60.736,1140 60.25,1141 60.146,1142 76.565,1143 5.498,1144 172.433,1145 57.264,1146 5.693,1147 5.38,1148 6.705,1149 5.34,1150 5.288,1151 7.638,1152 1.776,1153 19.165,1154 5.119,1155 8.317,1156 1.509,1157 1.509,1158 1.518,1159 1.506,1160 1.504,1161 1.914,1162 0.137,1163 4.311,1164 1.432,1165 4.141,1166 4.193,1167 4.116,1168 3.984,1169 6.471,1170 4.009,1171 3.93,1172 3.972,1173 3.853,1174 3.854,1175 5.132,1176 3.849,1177 3.875,1178 3.905,1179 3.818,1180 3.79,1181 4.755,1182 3.794,1183 3.78,1184 3.835,1185 3.673,1186 3.625,1187 4.678,1188 3.626,1189 3.69,1190 3.748,1191 3.574,1192 3.483,1193 4.615,1194 3.498,1195 3.294,1196 3.363,1197 3.233,1198 3.085,1199 4.413,1200 3.103,1201 3.155,1202 3.217,1203 3.041,1204 2.993,1205 4.249,1206 3.004,1207 3.111,1208 3.206,1209 2.873,1210 2.941,1211 3.989,1212 2.91,1213 0.117,1214 0.084,1215 0.173,1216 0.106,1217 0.082,1218 4.693,1219 0.116,1220 3.38,1221 0.023,1222 6.903,1223 0.29,1224 4.237,1225 0.078,1226 3.288,1227 4.638,1228 0.916,1229 11.616,1230 3.119,1231 1.952,1232 1.92,1233 2.082,1234 2.105,1235 1.426,1236 2.094,1237 1.923,1238 1.89,1239 2.021,1240 2.044,1241 1.22,1242 2.043,1243 1.821,1244 1.778,1245 1.985,1246 1.95,1247 1.14,1248 1.963,1249 1.765,1250 1.717,1251 1.928,1252 1.945,1253 1.08,1254 1.944,1255 1.579,1256 1.531,1257 1.715,1258 1.775,1259 0.876,1260 1.761,1261 1.316,1262 1.237,1263 1.514,1264 1.601,1265 0.825,1266 1.57,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.728,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.866,1286 6.862,1287 10.531,1294 9.749,1295 8.1,1297 5.576,1299 0.305,1300 4.791,1305 40.88,1306 98.355,1307 234.995,1308 302.17,1309 330.699,1310 333.454,1311 333.454,1312 48.457,1313 8.684,1314 79.54,1315 79.54,1316 35,1317 12.929,1318 4.524,1319 3.585,1320 46.935,1321 153,1322 189,1323 0.144,1324 244.888,1325 415.08,1326 589.286,1327 77214,1329 23.614,1330 0.675,1331 0.564,1332 23.614,1333 19.754,1334 17.242,1335 0.431,1336 0.31,1337 12.198,1338 16.554,1339 12.001,1340 9.825,1341 17.242,1342 12.381,1343 15.403,1344 0.275,1345 0.167,1346 15.403,1347 9.336,1348 13.504,1349 0.175,1350 0.091,1351 13.504,1352 7.022,1353 11.56,1354 0.11,1355 0.049,1356 11.56,1357 5.097,1358 9.961,1359 0.07,1360 0.026,1361 9.961,1362 3.743,1363 0.226,1364 108.027,1365 0.189,1366 32.149,1367 0.398,1368 192,1369 499.756,1370 210.221,1371 483.238,1372 679.21,1373 458,1374 229,1375 515.396,1376 249.721,1377 519.204,1378 768.23,1379 491,1380 6.143}
{0 CHEMBL574207,1 1.513,2 12.714,3 3.396,4 11.535,5 135.457,6 7.24,7 0.55,8 4.29,9 4.413,10 3.852,11 3.809,12 5.315,13 3.793,14 4.864,15 5.047,16 4.214,17 4.223,18 5.829,19 4.187,20 5.138,21 5.364,22 4.266,23 4.375,24 6.033,25 4.298,26 5.202,27 5.463,28 4.241,29 4.381,30 6.058,31 4.286,32 5.152,33 5.39,34 4.276,35 4.398,36 6.065,37 4.312,38 5.174,39 5.404,40 4.276,41 4.414,42 6.059,43 4.333,44 5.185,45 5.419,46 4.229,47 4.397,48 6.077,49 4.3,50 5.176,51 5.416,52 4.137,53 4.39,54 6.034,55 4.267,56 0.054,57 1.012,58 14.077,59 5.811,60 10.193,61 7.867,62 0.304,63 1.687,64 27.473,65 9.405,66 26.531,67 13.26,68 0.417,69 2.078,70 38.006,71 12.507,72 40.772,73 18.373,74 0.529,75 2.186,76 41.726,77 13.304,78 44.81,79 20.051,80 0.469,81 2.104,82 38.645,83 13.046,84 52.276,85 19.46,86 0.374,87 2.188,88 39.066,89 12.486,90 38.21,91 18.664,92 0.621,93 2.127,94 40.174,95 13.007,96 48.011,97 19.338,98 0.372,99 2.042,100 39.674,101 14.58,102 43.885,103 20.94,104 2,105 56,106 0.239,107 0.57,108 0.735,109 0.814,110 0.829,111 0.829,112 3.589,113 0.929,114 -5.31,115 -5.2,116 -4.86,119 41.5,121 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,161 1,166 1,172 10,174 3,175 12,180 2,183 11,186 2,187 8,192 2,195 5,198 6,199 8,204 1,207 5,211 2,212 9,215 2,220 6,223 1,224 10,232 7,236 3,237 7,240 2,242 1,245 7,249 2,250 9,253 1,258 3,263 10,268 2,271 4,275 2432,276 24.447,277 24.447,278 24.447,279 24.447,280 24.447,281 21.909,282 29.163,283 14.625,284 25.051,285 19.834,286 19.834,287 19.834,288 19.834,289 19.834,290 16.006,291 39.253,292 7.038,293 20.843,294 4.509,295 2.407,296 1.362,297 0.862,298 0.769,299 0.769,300 4.312,305 1,306 1001,307 2.55,310 77.411,311 523.009,314 140.906,318 2.041,319 26.807,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 445,332 4.694,333 3.38,334 6.903,335 4.238,336 3.289,337 4.638,338 0.916,339 11.617,340 3.12,341 4.19,342 3.077,343 6.33,344 3.826,345 2.87,346 3.81,347 0.86,348 9.599,349 2.758,350 3.994,351 2.948,352 6.124,353 3.727,354 2.768,355 3.457,356 0.8,357 9.006,358 2.647,359 3.928,360 2.872,361 5.637,362 3.606,363 2.649,364 3.353,365 0.172,366 7.742,367 2.545,368 3.603,369 2.553,370 5.516,371 3.325,372 2.365,373 2.996,375 7.121,376 2.253,377 3.519,378 2.416,379 5.05,380 3.17,381 2.223,382 2.605,384 6.096,385 2.097,386 3.255,387 2.336,388 5.044,389 3.033,390 2.088,391 2.345,393 6.032,394 1.965,395 2.953,396 2.119,397 4.744,398 2.653,399 1.734,400 2.139,402 4.819,403 1.593,404 2.924,405 1.579,406 4.326,407 2.425,408 1.471,409 2.042,411 4.039,412 1.407,413 2.817,414 1.532,415 4.082,416 2.414,417 1.427,418 1.91,420 3.225,421 1.395,422 2.651,423 1.487,424 3.751,425 2.17,426 1.257,427 1.716,428 2.992,429 1.154,430 2.5,431 1.256,432 3.587,433 2.141,434 1.175,435 1.5,436 2.887,437 1.118,438 2.489,439 1.194,440 3.476,441 2,442 1.038,443 1.484,445 2.527,446 1,447 2.381,448 1.077,449 3.414,450 1.992,451 1,452 1.369,454 2.275,455 0.986,456 2.003,457 1.06,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 16.567,466 0.473,467 0.688,468 0.02,469 45,470 1.286,471 21,472 0.6,473 24,474 0.686,475 32.285,476 0.922,477 37.433,478 0.576,479 34.607,480 0.989,481 8.717,482 0.249,483 8.526,484 0.244,485 0.02,487 0.314,493 0.878,494 1.409,495 0.794,496 1.14,497 0.856,498 0.988,499 1.189,500 1.143,501 0.972,502 0.977,503 0.737,504 0.945,505 1.07,506 1.189,507 1.011,508 1.022,509 0.859,510 1.008,511 0.812,512 0.92,513 0.929,514 0.884,515 0.792,516 0.903,517 0.726,518 1.069,519 0.909,520 0.962,521 0.746,522 0.952,523 1.041,524 1.142,525 1.097,526 1.051,527 0.847,528 1.056,529 0.925,530 1.028,531 1.111,532 1.033,533 0.859,534 1.074,535 0.785,536 1.028,537 1.064,538 1.164,539 0.817,540 1.15,541 5.5,542 0.155,543 3.333,544 1.722,545 1.676,546 1.219,547 0.893,548 0.52,549 0.32,550 0.246,551 19267,552 44235,553 2.227,554 46.2,556 24,558 1,559 1,562 4,564 1.771,565 2.165,566 3.583,567 -0.373,573 98.355,574 1.513,575 3.615,576 4.66,577 5.161,578 5.253,579 5.253,580 3.057,581 4.786,582 5.094,583 3.798,584 2259.85,585 8.968,586 34759.8,591 391.454,592 1.069,593 5.093,594 0.138,595 0.005,596 0.06,597 0.03,598 0.03,599 0.021,600 0.016,601 0.01,602 0.007,603 0.006,604 0.322,605 0.17,606 0.75,607 0.293,608 188.159,609 0.021,610 -0.208,611 0.083,612 -0.077,613 -0.012,614 -0.007,615 -0.081,616 0.002,617 -0.024,618 0.004,619 0.027,620 -0.004,621 -0.062,622 -0.136,623 -0.038,624 -0.052,625 0.007,626 -0.047,627 0.045,628 0.117,629 0.056,630 0.058,631 0.014,632 0.058,633 0.102,634 -0.023,635 0.053,636 0.015,637 0.07,638 0.025,639 -0.135,640 -0.05,641 -0.134,642 -0.099,643 -0.119,644 -0.107,645 0.06,646 0.029,647 -0.136,648 -0.076,649 -0.034,650 -0.119,651 0.034,652 -0.035,653 -0.107,654 -0.156,655 0.052,656 -0.148,657 1.46,658 4.05,659 0.943,660 42.183,661 0.998,662 1.129,663 4.083,664 16.672,665 0.663,666 3.714,667 4.043,668 4.357,669 4.673,670 4.963,671 5.1,672 5.352,673 5.565,674 5.727,675 5.872,676 7.52,677 0.629,678 470.63,679 3.714,680 5.263,681 6.129,682 7.017,683 7.902,684 8.8,685 9.697,686 10.602,687 11.506,688 12.417,689 9.2,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,728 1,731 65,733 22,734 2,735 40,737 70,738 27,739 17,740 3,741 9,746 6,747 7,755 3,758 3,761 17,762 10,781 30,782 7,783 1,784 8,790 6,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,853 1,854 9,856 1,858 1,859 2,870 3.1,872 1,874 1,877 16.167,878 11.483,879 7.583,880 4.086,881 3.737,882 1.43,883 1.003,884 6.383,885 12.421,886 3.951,887 4.546,888 5.161,889 5.788,890 6.359,891 6.729,892 7.242,893 7.714,894 8.066,895 8.441,896 1,897 57,898 12.982,900 5.608,901 7.529,902 25.504,904 21.736,905 2.029,906 71,910 341.362,911 134.431,912 58.259,914 53.683,917 134.431,918 395.045,919 58.259,921 24.782,922 85.286,923 117.404,924 28.345,925 2.328,926 329.591,928 341.362,929 192.691,930 53.683,933 296.605,934 89.768,935 11,937 40.446,938 99.683,939 50.234,941 341.362,942 111.942,943 134.431,946 341.362,947 40.098,948 102.359,950 103.917,951 341.362,952 111.942,953 134.431,955 0.578,956 0.338,957 0.191,958 0.109,959 29,960 11,961 0.071,962 5,963 1,964 1.061,965 4.634,966 353.02,967 0.061,968 33,969 167.525,974 22.475,975 9.94,976 4.766,977 1.837,978 110.166,979 19.728,980 14.735,984 3.863,985 2.104,986 42.683,987 587.736,988 51,999 64.869,1000 73.391,1001 0.251,1002 0.6,1003 0.774,1004 0.857,1005 0.872,1006 0.872,1007 5.196,1008 1.734,1009 6.098,1010 6.032,1011 4.727,1012 5.234,1013 1.598,1014 6.915,1015 4.632,1016 6.377,1017 1.471,1018 7.649,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.803,1024 4.05,1025 7.673,1026 1.427,1027 9.303,1028 4.039,1029 6.315,1030 7.422,1031 1.256,1032 10.951,1033 6.127,1034 9.006,1035 1.257,1036 11.02,1037 3.225,1038 6.661,1039 8.048,1040 0.581,1041 12.724,1042 6.412,1043 10.377,1044 1.175,1045 12.781,1046 2.992,1047 8.197,1048 9.963,1049 1.023,1050 15.378,1051 7.914,1052 11.776,1053 1.038,1054 14.571,1055 2.887,1056 8.956,1057 11.04,1058 0.515,1059 17.521,1060 8.614,1061 13.198,1062 1,1063 16.384,1064 2.527,1065 10.254,1066 12.72,1067 0.84,1068 20.017,1069 9.873,1070 3.289,1071 1,1072 18.215,1073 2.275,1074 11.219,1075 14.025,1076 0.441,1077 22.323,1078 10.779,1079 2.87,1080 11.617,1081 20.059,1082 2.136,1083 12.421,1084 15.607,1085 0.689,1086 24.771,1087 11.937,1088 2.768,1089 9.599,1090 21.914,1091 4.638,1092 13.488,1093 17.027,1094 0.373,1095 27.148,1096 12.946,1097 2.649,1098 9.006,1099 23.778,1100 3.81,1101 14.657,1102 18.57,1103 0.564,1104 29.585,1105 14.066,1106 2.365,1107 7.742,1108 25.65,1109 3.457,1110 15.775,1111 20.046,1112 0.314,1113 31.997,1114 15.127,1115 2.223,1116 7.121,1117 27.529,1118 3.353,1119 16.937,1120 21.577,1121 0.461,1122 34.435,1123 16.238,1124 2.088,1125 6.096,1126 29.414,1127 2.996,1128 18.081,1129 23.081,1130 0.264,1131 36.864,1132 17.326,1133 17525,1134 26738,1135 28.027,1136 43.08,1137 60.456,1138 60.47,1139 60.737,1140 60.33,1141 60.236,1142 76.671,1143 5.498,1144 172.635,1145 57.345,1146 5.694,1147 5.38,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.12,1155 8.124,1156 1.511,1157 1.512,1158 1.518,1159 1.508,1160 1.506,1161 1.917,1162 0.137,1163 4.316,1164 1.434,1165 4.141,1166 4.193,1167 4.116,1168 3.984,1169 6.471,1170 4.009,1171 3.93,1172 3.972,1173 3.853,1174 3.854,1175 5.132,1176 3.849,1177 3.875,1178 3.905,1179 3.818,1180 3.79,1181 4.755,1182 3.794,1183 3.78,1184 3.835,1185 3.673,1186 3.625,1187 4.677,1188 3.626,1189 3.69,1190 3.748,1191 3.574,1192 3.483,1193 4.616,1194 3.498,1195 3.291,1196 3.362,1197 3.226,1198 3.085,1199 4.43,1200 3.101,1201 3.149,1202 3.214,1203 3.034,1204 2.991,1205 4.251,1206 3,1207 3.111,1208 3.206,1209 2.868,1210 2.941,1211 3.995,1212 2.91,1213 0.117,1214 0.085,1215 0.173,1216 0.106,1217 0.082,1218 4.694,1219 0.116,1220 3.38,1221 0.023,1222 6.903,1223 0.29,1224 4.238,1225 0.078,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.12,1231 1.952,1232 1.92,1233 2.082,1234 2.105,1235 1.426,1236 2.093,1237 1.923,1238 1.89,1239 2.021,1240 2.044,1241 1.22,1242 2.042,1243 1.822,1244 1.778,1245 1.985,1246 1.95,1247 1.14,1248 1.963,1249 1.766,1250 1.717,1251 1.929,1252 1.945,1253 1.08,1254 1.944,1255 1.579,1256 1.531,1257 1.716,1258 1.775,1259 0.877,1260 1.761,1261 1.316,1262 1.237,1263 1.514,1264 1.601,1265 0.825,1266 1.57,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.728,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.867,1286 6.862,1287 10.534,1294 10.05,1295 8.039,1297 5.573,1299 0.295,1300 4.776,1305 40.88,1306 98.355,1307 234.995,1308 302.925,1309 335.454,1310 341.454,1311 341.454,1312 48.988,1313 8.684,1314 79.54,1315 79.54,1316 35,1317 12.933,1318 4.524,1319 3.585,1320 46.924,1321 152,1322 189,1323 0.145,1324 244.888,1325 415.08,1326 589.286,1327 77214,1329 23.614,1330 0.675,1331 0.564,1332 23.614,1333 19.754,1334 17.242,1335 0.431,1336 0.31,1337 12.198,1338 16.554,1339 12,1340 9.826,1341 17.242,1342 12.381,1343 15.415,1344 0.275,1345 0.167,1346 15.415,1347 9.34,1348 13.42,1349 0.174,1350 0.091,1351 13.42,1352 7.001,1353 11.712,1354 0.11,1355 0.048,1356 11.712,1357 5.132,1358 9.966,1359 0.07,1360 0.026,1361 9.966,1362 3.735,1363 0.227,1364 108.027,1365 0.189,1366 32.103,1367 0.402,1368 192,1369 499.756,1370 210.221,1371 483.303,1372 679.23,1373 458,1374 229,1375 515.396,1376 249.721,1377 519.34,1378 768.5,1379 491,1380 7.502}
{0 CHEMBL574211,1 1.464,2 13.763,3 3.85,4 14.823,5 147.685,6 7.329,7 0.614,8 4.352,9 4.476,10 3.934,11 3.901,12 5.359,13 3.882,14 4.93,15 5.112,16 4.3,17 4.32,18 5.876,19 4.282,20 5.197,21 5.422,22 4.363,23 4.473,24 6.074,25 4.396,26 5.259,27 5.518,28 4.317,29 4.471,30 6.112,31 4.373,32 5.201,33 5.44,34 4.329,35 4.471,36 6.056,37 4.381,38 5.218,39 5.449,40 4.352,41 4.47,42 6.106,43 4.391,44 5.224,45 5.46,46 4.315,47 4.452,48 6.112,49 4.366,50 5.212,51 5.453,52 4.251,53 4.462,54 6.03,55 4.356,56 0.053,57 1.09,58 14.432,59 6.092,60 9.162,61 8.267,62 0.326,63 1.839,64 28.698,65 10.01,66 25.439,67 13.93,68 0.404,69 2.28,70 39.481,71 13.487,72 37.019,73 19.573,74 0.591,75 2.402,76 43.63,77 14.4,78 45.898,79 21.3,80 0.354,81 2.26,82 39.947,83 14.13,84 37.89,85 20.72,86 0.428,87 2.351,88 40.397,89 13.175,90 39.887,91 19.318,92 0.573,93 2.312,94 41.3,95 13.201,96 49.128,97 19.444,98 0.372,99 2.251,100 40.578,101 14.376,102 37.387,103 20.853,105 62,106 0.226,107 0.546,108 0.723,109 0.811,110 0.832,111 0.832,112 3.668,113 0.921,114 -5.49,115 -5.37,116 -5.01,119 43.5,121 2,125 7,127 1,142 10,143 4,145 2,146 1,147 1,149 1,161 1,166 1,172 12,174 3,175 15,183 13,186 2,187 9,195 8,198 8,199 9,207 8,211 2,212 7,220 6,223 3,224 14,232 7,236 4,237 9,245 5,249 2,250 14,258 5,262 1,263 13,271 5,275 3076,276 26.808,277 26.808,278 26.808,279 26.808,280 26.808,281 23.781,282 27.006,283 15.998,284 27.427,285 21.822,286 21.822,287 21.822,288 21.822,289 21.822,290 17.24,291 38.09,292 7.69,293 22.842,294 4.644,295 2.575,296 1.432,297 0.864,298 0.725,299 0.725,300 4.402,306 1195,307 2.646,310 82.52,311 639.275,314 149.082,315 165.778,318 2.104,319 23.815,322 0.5,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.72,330 80.5,331 523,332 4.696,333 3.381,334 6.903,335 4.239,336 3.29,337 4.641,338 0.916,339 11.618,340 3.123,341 4.423,342 3.077,343 6.336,344 3.943,345 2.964,346 4.345,347 0.86,348 9.647,349 2.903,350 4.047,351 2.967,352 6.259,353 3.777,354 2.834,355 3.529,356 0.8,357 9.435,358 2.677,359 3.936,360 2.946,361 5.967,362 3.607,363 2.649,364 3.456,365 0.172,366 8.458,367 2.551,368 3.897,369 2.632,370 5.636,371 3.533,372 2.569,373 3.284,375 7.741,376 2.477,377 3.524,378 2.484,379 5.516,380 3.314,381 2.349,382 2.606,384 7.11,385 2.248,386 3.259,387 2.356,388 5.044,389 3.043,390 2.1,391 2.427,393 6.052,394 1.972,395 3.118,396 2.121,397 4.746,398 2.654,399 1.735,400 2.389,402 4.821,403 1.595,404 3.087,405 1.618,406 4.522,407 2.587,408 1.618,409 2.339,411 4.574,412 1.567,413 2.943,414 1.595,415 4.357,416 2.554,417 1.589,418 2.054,420 4.191,421 1.53,422 2.843,423 1.574,424 4.083,425 2.415,426 1.428,427 2.004,428 3.226,429 1.406,430 2.81,431 1.487,432 3.769,433 2.322,434 1.347,435 1.901,436 3.019,437 1.31,438 2.531,439 1.342,440 3.605,441 2.151,442 1.248,443 1.543,445 2.986,446 1.119,447 2.5,448 1.256,449 3.587,450 2.037,451 1.092,452 1.5,454 2.837,455 1.027,456 2.388,457 1.106,458 3.424,459 2,460 1,461 1.377,463 2.275,464 1,465 18.133,466 0.477,467 0.701,468 0.018,469 50.75,470 1.336,471 24.5,472 0.645,473 26.25,474 0.691,475 34.999,476 0.921,477 39.467,478 0.572,479 39.216,480 1.032,481 9.763,482 0.257,483 9.051,484 0.238,487 0.314,493 0.819,494 1.387,495 0.763,496 1.118,497 0.722,498 0.965,499 1.365,500 1.111,501 0.975,502 0.936,503 1.019,504 0.916,505 1.115,506 1.177,507 0.99,508 1.006,509 0.878,510 0.987,511 0.876,512 0.856,513 0.966,514 0.871,515 1.028,516 0.909,517 0.816,518 1.104,519 0.91,520 0.992,521 1.006,522 0.961,523 1.167,524 1.121,525 1.078,526 1.028,527 1.187,528 1.028,529 1.189,530 1.059,531 1.106,532 0.99,533 1.268,534 1.02,535 0.966,536 1.032,537 1.054,538 1.049,539 0.993,540 1.053,541 5.5,542 0.172,543 3.778,544 1.66,545 1.929,546 1.302,547 0.891,548 0.562,549 0.41,550 0.294,551 24927,552 54511,553 2.273,554 44.9,556 25,558 2,562 4,564 1.791,565 2.235,566 3.696,567 -0.784,573 101.05,574 1.464,575 3.533,576 4.676,577 5.245,578 5.384,579 5.384,580 3.217,581 4.754,582 5.212,583 3.891,584 2735.3,585 9.208,586 44604.9,591 421.488,592 0.9,593 5.22,594 0.125,595 0.004,596 0.061,597 0.026,598 0.032,599 0.021,600 0.014,601 0.01,602 0.007,603 0.006,604 0.306,605 0.17,606 0.63,608 209.619,609 0.084,610 -0.222,611 0.1,612 -0.097,613 0.103,614 -0.015,615 -0.09,616 0.012,617 -0.027,618 0.023,619 -0.015,620 0.005,621 -0.037,622 -0.132,623 -0.016,624 -0.042,625 0.084,626 -0.032,627 0.092,628 0.18,629 0.03,630 0.071,631 0.026,632 0.047,633 0.052,634 -0.085,635 0.059,636 -0.013,637 -0.027,638 0.019,639 -0.081,640 -0.046,641 -0.099,642 -0.09,643 -0.128,644 -0.093,645 -0.007,647 -0.113,648 -0.053,649 -0.103,650 -0.085,651 -0.053,652 -0.017,653 -0.082,654 -0.071,655 -0.063,656 -0.076,657 1.019,658 2.129,659 0.974,660 48.886,661 0.995,662 1.126,663 4.258,664 18.13,665 0.676,666 3.807,667 4.143,668 4.477,669 4.796,670 5.1,671 5.242,672 5.493,673 5.72,674 5.924,675 6.096,676 7.949,677 0.64,678 505.68,679 3.807,680 5.361,681 6.236,682 7.127,683 8.019,684 8.919,685 9.819,686 10.726,687 11.633,688 12.544,689 10.1,692 1,695 1,697 1,699 4,703 4,704 12,705 4,709 4,710 1,711 27,726 1,731 69,733 27,734 2,735 44,737 75,738 30,739 20,740 3,741 9,746 7,747 9,755 3,758 3,761 20,762 10,781 31,782 7,784 8,790 7,794 0.714,795 1,803 1,805 1,806 1,811 1,812 6,815 1,816 1,836 1,839 1,840 5,848 38,854 9,856 1,858 1,859 2,870 1.4,874 1,877 17,878 12.4,879 8.194,880 4.409,881 4.95,882 1.538,883 1.042,884 6.403,885 14.144,886 4.069,887 4.694,888 5.349,889 5.996,890 6.604,891 7.005,892 7.536,893 8.053,894 8.521,895 8.946,896 1,897 64,898 14.083,900 6.102,901 7.439,902 27.862,904 23.923,905 1.939,906 73.667,910 364.904,911 157.672,912 75.045,914 11,917 157.672,918 375.904,919 75.045,921 24.782,922 94.762,923 103.277,924 42.109,925 2.328,926 341.362,928 364.904,929 232.717,930 11,933 320.148,934 47.084,935 11,937 51.638,938 111.732,939 67.02,941 364.904,942 86.045,943 157.672,946 364.904,947 44.815,948 120.883,950 78.019,951 364.904,952 86.045,953 157.672,955 0.579,956 0.344,957 0.195,958 0.111,959 33,960 12,961 0.067,962 5,963 2,964 1.108,965 4.918,966 402.525,967 0.108,968 37,969 187.421,974 23.575,975 10.32,976 4.761,977 3.973,978 84.268,979 24.868,980 19.755,984 3.923,985 2.152,987 608.621,988 57.5,999 68.643,1000 77.68,1001 0.24,1002 0.578,1003 0.766,1004 0.859,1005 0.881,1006 0.881,1007 5.312,1008 1.735,1009 6.205,1010 6.052,1011 4.828,1012 5.382,1013 1.598,1014 7.029,1015 4.741,1016 6.503,1017 1.618,1018 7.76,1019 4.821,1020 4.29,1021 5.121,1022 0.57,1023 7.928,1024 4.159,1025 7.806,1026 1.589,1027 9.418,1028 4.574,1029 6.425,1030 7.623,1031 1.256,1032 11.075,1033 6.253,1034 9.148,1035 1.428,1036 11.14,1037 4.191,1038 6.77,1039 8.287,1040 0.581,1041 12.848,1042 6.551,1043 10.529,1044 1.347,1045 12.905,1046 3.226,1047 8.315,1048 10.212,1049 1.023,1050 15.494,1051 8.058,1052 11.937,1053 1.248,1054 14.698,1055 3.019,1056 9.077,1057 11.318,1058 0.515,1059 17.627,1060 8.771,1061 13.367,1062 1.092,1063 16.512,1064 2.986,1065 10.378,1066 13.001,1067 0.84,1068 20.113,1069 10.032,1070 3.29,1071 1,1072 18.343,1073 2.837,1074 11.343,1075 14.323,1076 0.441,1077 22.406,1078 10.946,1079 2.964,1080 11.618,1081 20.185,1082 2.275,1083 12.545,1084 15.904,1085 0.689,1086 24.844,1087 12.106,1088 2.834,1089 9.647,1090 22.038,1091 4.641,1092 13.609,1093 17.328,1094 0.373,1095 27.211,1096 13.118,1097 2.649,1098 9.435,1099 23.899,1100 4.345,1101 14.776,1102 18.867,1103 0.564,1104 29.639,1105 14.239,1106 2.569,1107 8.458,1108 25.767,1109 3.529,1110 15.889,1111 20.34,1112 0.314,1113 32.043,1114 15.3,1115 2.349,1116 7.741,1117 27.641,1118 3.456,1119 17.047,1120 21.864,1121 0.461,1122 34.474,1123 16.409,1124 2.1,1125 7.11,1126 29.521,1127 3.284,1128 18.187,1129 23.361,1130 0.264,1131 36.897,1132 17.496,1133 22244,1134 33102,1135 31.205,1136 46.631,1137 66.665,1138 66.818,1139 66.682,1140 66.538,1141 66.494,1142 86.714,1143 5.498,1144 191.817,1145 63.573,1146 5.696,1147 5.381,1148 6.705,1149 5.343,1150 5.29,1151 7.641,1152 1.776,1153 19.166,1154 5.123,1156 1.515,1157 1.519,1158 1.515,1159 1.512,1160 1.511,1161 1.971,1162 0.125,1163 4.359,1164 1.445,1165 4.157,1166 4.205,1167 4.131,1168 4.034,1169 5.149,1170 4.048,1171 4.021,1172 4.056,1173 3.982,1174 3.911,1175 4.962,1176 3.927,1177 3.928,1178 3.969,1179 3.852,1180 3.85,1181 4.755,1182 3.847,1183 3.787,1184 3.844,1185 3.681,1186 3.633,1187 4.629,1188 3.635,1189 3.697,1190 3.755,1191 3.58,1192 3.489,1193 4.549,1194 3.503,1195 3.492,1196 3.539,1197 3.425,1198 3.391,1199 4.329,1200 3.393,1201 3.246,1202 3.317,1203 3.144,1204 3.067,1205 4.251,1206 3.068,1207 3.111,1208 3.206,1209 2.987,1210 2.941,1211 4.006,1212 2.91,1213 0.107,1214 0.077,1215 0.157,1216 0.096,1217 0.075,1218 4.696,1219 0.105,1220 3.381,1221 0.021,1222 6.903,1223 0.264,1224 4.239,1225 0.071,1226 3.29,1227 4.641,1228 0.916,1229 11.618,1230 3.123,1231 2.044,1232 2.02,1233 2.118,1234 2.142,1235 1.426,1236 2.134,1237 1.932,1238 1.895,1239 2.08,1240 2.076,1241 1.23,1242 2.079,1243 1.865,1244 1.825,1245 1.995,1246 2.013,1247 1.202,1248 2.004,1249 1.784,1250 1.729,1251 1.946,1252 1.95,1253 1.14,1254 1.96,1255 1.61,1256 1.559,1257 1.764,1258 1.816,1259 0.913,1260 1.805,1261 1.428,1262 1.393,1263 1.569,1264 1.601,1265 0.825,1266 1.57,1267 1.314,1268 1.234,1269 1.514,1270 1.542,1271 0.825,1272 1.555,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.734,1278 1.429,1279 4.489,1281 5.82,1282 2.398,1283 7.359,1284 4.727,1285 8.989,1286 6.862,1287 10.667,1295 8.206,1297 5.629,1299 0.314,1300 4.845,1305 44.186,1306 101.05,1307 243.784,1308 322.659,1309 361.879,1310 371.488,1311 371.488,1312 47.783,1313 9.194,1314 72.2,1315 72.2,1316 41,1317 13.059,1318 4.807,1319 3.858,1320 48.455,1321 174,1322 219,1323 0.13,1324 263.214,1325 440.65,1326 634.003,1327 145190,1329 25.313,1330 0.666,1331 0.563,1332 25.313,1333 21.408,1334 18.815,1335 0.428,1336 0.307,1337 13.327,1338 18.131,1339 13.102,1340 10.732,1341 18.815,1342 13.511,1343 16.761,1344 0.27,1345 0.165,1346 16.761,1347 10.206,1348 15.024,1349 0.173,1350 0.089,1351 15.024,1352 7.745,1353 13.141,1354 0.11,1355 0.047,1356 13.141,1357 5.68,1358 11.37,1359 0.07,1360 0.026,1361 11.37,1362 4.172,1363 0.203,1364 117.338,1365 0.179,1366 34.347,1367 0.358,1368 212,1369 529.251,1370 229.838,1371 516.557,1372 736.76,1373 492,1374 255,1375 566.831,1376 276.059,1377 573.536,1378 851.28,1379 543,1380 5.222}
{0 CHEMBL574234,1 1.897,2 12.758,3 2.494,4 6.219,5 110.405,6 8.657,7 0.444,8 4.135,9 4.257,10 3.802,11 3.541,12 5.331,13 3.592,14 4.719,15 4.895,16 4.229,17 3.912,18 6.295,19 3.956,20 4.904,21 5.123,22 4.18,23 4.032,24 6.129,25 4.035,26 4.874,27 5.087,28 4.225,29 4.05,30 6.162,31 4.054,32 4.89,33 5.087,34 4.294,35 4.066,36 6.327,37 4.084,38 4.894,39 5.097,40 4.186,41 4.076,42 6.091,43 4.076,44 4.914,45 5.123,46 4.191,47 4.064,48 6.203,49 4.04,50 4.936,51 5.173,52 4.089,53 3.984,54 6.199,55 3.941,56 0.33,57 1.109,58 8.451,59 4.336,60 40.251,61 5.067,62 1.343,63 1.941,64 21.262,65 6.977,66 178.634,67 8.443,68 1.381,69 1.673,70 29.053,71 7.84,72 131.172,73 10.719,74 1.061,75 1.77,76 25.7,77 8.193,78 107.124,79 11.203,80 1.206,81 1.936,82 26.092,83 8.599,84 137.616,85 11.403,86 1.062,87 1.875,88 25.557,89 8.61,90 106.921,91 10.807,92 1.178,93 1.882,94 26.328,95 9.021,96 85.073,97 12.184,98 1.135,99 1.961,100 31.028,101 11.61,102 122.911,103 14.695,104 37,105 51,106 0.314,107 0.661,108 0.784,109 0.833,110 0.833,111 0.833,112 3.532,113 0.848,114 -4.5,115 -4.42,116 -4.17,119 37,125 7,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 4,174 3,175 7,178 2,179 1,180 2,183 4,186 2,187 4,192 2,195 2,198 5,199 8,204 3,207 1,211 1,212 8,217 2,220 2,224 7,227 2,229 1,232 2,236 3,237 3,249 2,250 2,253 4,255 1,263 2,266 1,275 2111,276 22.041,277 22.041,278 22.041,279 22.041,280 22.041,281 20.128,282 25.078,283 13.166,284 22.933,285 17.811,286 17.811,287 17.811,288 17.811,289 17.811,290 14.757,291 31.107,292 6.295,293 19.351,294 3.858,295 1.758,296 1.014,297 0.718,298 0.718,299 0.718,300 4.225,304 1,305 1,306 899,307 4.243,310 81.213,311 293.433,314 143.711,318 2.051,319 59.704,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 77.5,331 421,332 4.681,333 4.269,334 6.856,335 4.221,336 3.288,337 4.629,338 3.02,339 11.454,340 3.093,341 4.197,342 3.546,343 6.458,344 3.922,345 3.09,346 3.793,347 1.656,348 10.182,349 2.737,350 4.109,351 3.342,352 6.107,353 3.762,354 2.79,355 3.356,356 0.86,357 8.937,358 2.558,359 3.845,360 2.892,361 6.039,362 3.526,363 2.622,364 3.167,365 0.8,366 8.65,367 2.424,368 3.81,369 2.786,370 5.472,371 3.49,372 2.529,373 3.013,374 0.247,375 7.346,376 2.308,377 3.472,378 2.425,379 5.091,380 3.073,381 2.098,382 2.707,384 5.744,385 2.034,386 3.146,387 2.312,388 4.827,389 2.864,390 1.937,391 2.237,393 5.517,394 1.781,395 2.965,396 2.168,397 4.427,398 2.459,399 1.517,400 2.169,402 4.294,403 1.425,404 2.71,405 1.868,406 4.341,407 2.341,408 1.442,409 1.781,411 3.843,412 1.287,413 2.5,414 1.535,415 3.762,416 2.281,417 1.348,418 1.5,420 2.91,421 1.236,422 2.472,423 1.288,424 3.436,425 2.063,426 1.152,427 1.466,428 2.495,429 1.043,430 2.435,431 1.256,432 3.414,433 2,434 1,435 1.414,436 2.275,437 1,438 2.082,439 1.219,440 3.367,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2,448 1,449 3.247,450 1.694,451 0.786,452 0.993,454 2.035,455 0.711,456 1.374,457 0.917,458 3.118,459 1.133,460 0.268,461 0.282,463 0.474,464 0.226,465 14.61,466 0.443,467 0.921,468 0.028,469 39.75,470 1.205,471 16.5,472 0.5,473 23.25,474 0.705,475 28.552,476 0.865,477 38.19,478 0.707,479 36.075,480 1.093,481 8.288,482 0.251,483 7.548,484 0.229,485 0.101,486 0.034,487 0.294,488 1,490 3,493 0.652,494 1.214,495 0.624,496 1.256,497 0.569,498 1.012,499 0.703,500 0.849,501 0.803,502 0.926,503 0.515,504 0.913,505 0.877,506 0.761,507 0.987,508 0.801,509 0.815,510 0.9,511 0.615,512 0.762,513 0.821,514 0.956,515 0.589,516 0.971,517 0.672,518 0.919,519 0.768,520 1.017,521 0.667,522 0.963,523 0.861,524 0.966,525 1.028,526 1.07,527 0.736,528 1.094,529 0.589,530 0.816,531 0.954,532 1.154,533 0.544,534 1.216,535 0.69,536 1.126,537 0.801,538 1.344,539 0.729,540 1.216,541 7.5,542 0.277,543 3.333,544 2.007,545 1.808,546 1.612,547 0.85,548 0.627,549 0.494,550 0.287,551 14687,552 57713,553 2.054,554 38.9,556 18,558 1,559 2,564 1.756,565 1.913,566 3.549,567 0.342,569 1,573 102.435,574 1.897,575 3.997,576 4.741,577 5.037,578 5.037,579 5.037,580 3.075,581 4.514,582 5.005,583 3.783,584 1997.48,585 8.795,586 29744.8,591 310.764,592 1.554,593 4.964,594 0.208,595 0.011,596 0.065,597 0.04,598 0.035,599 0.029,600 0.017,601 0.013,602 0.012,603 0.008,604 0.439,605 0.17,606 0.88,607 1.514,608 174.782,609 -0.063,610 -0.207,611 0.035,612 -0.145,613 -0.061,614 -0.042,615 0.17,616 0.158,617 0.044,618 0.069,619 0.262,620 0.013,621 -0.08,622 0.106,623 -0.08,624 0.151,625 -0.095,626 0.067,627 0.027,628 0.052,629 0.028,630 0.005,631 0.014,632 0.012,633 0.08,634 -0.035,635 0.097,636 -0.01,637 0.092,638 0.031,639 -0.153,640 -0.071,641 -0.183,642 -0.078,643 -0.091,644 -0.114,645 0.116,646 0.059,647 -0.09,648 -0.156,649 0.055,650 -0.214,651 0.109,652 -0.234,653 0.179,654 -0.275,655 0.066,656 -0.104,657 5.709,658 5.06,659 0.636,660 40.511,661 1.044,662 1.167,663 3.266,664 10.67,665 0.64,666 3.611,667 3.951,668 4.174,669 4.489,670 4.762,671 4.92,672 5.165,673 5.328,674 5.442,675 5.561,676 7.401,677 0.645,678 467.48,679 3.611,680 5.165,681 6.004,682 6.899,683 7.766,684 8.67,685 9.554,686 10.464,687 11.359,688 12.273,689 13,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 54,733 17,734 1,735 36,737 57,738 20,739 11,740 2,741 4,744 1,746 4,747 5,751 1,752 2,757 1,761 12,762 8,766 1,771 1,775 1,778 1,779 4,781 21,782 12,783 2,784 13,790 7,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,839 1,840 3,846 4,848 33,854 7,855 2,856 1,859 1,860 1,869 4,870 3.7,873 1,874 1,877 17.25,878 9.571,879 7.181,880 3.107,881 3.166,882 1.395,883 0.987,884 7.081,885 11.179,886 3.829,887 4.416,888 4.981,889 5.632,890 6.216,891 6.661,892 7.19,893 7.649,894 7.986,895 8.381,896 1,897 50,898 12.705,900 5.925,901 8.346,902 22.305,904 18.091,905 2.846,906 93.917,910 223.651,911 99.952,912 91.156,914 36.145,915 59.84,917 99.952,918 259.796,919 150.997,921 62.099,922 37.905,923 99.865,924 69.672,925 21.564,926 211.88,927 7.76,928 223.651,929 191.108,930 95.985,933 240.939,934 70.025,935 11,937 82.398,938 56.148,939 50.234,941 283.491,942 127.301,943 99.952,946 231.41,947 45.24,948 51.853,949 36.022,950 146.219,951 223.651,952 187.142,953 99.952,955 0.58,956 0.311,957 0.173,958 0.102,959 24,960 11,961 0.088,962 5,963 1,964 1.095,965 4.31,966 308.256,967 0.095,968 21,969 153.71,974 23.369,975 10,976 5.771,977 0.499,978 185.365,979 7.816,980 12.883,984 1.702,985 0.815,986 36.022,987 510.744,988 45,993 11.683,997 -0.552,999 56.37,1000 63.003,1001 0.33,1002 0.695,1003 0.824,1004 0.875,1005 0.875,1006 0.875,1007 5.088,1008 1.517,1009 6.019,1010 5.517,1011 4.635,1012 5.103,1013 3.087,1014 6.855,1015 4.484,1016 6.299,1017 1.442,1018 7.591,1019 4.294,1020 4.369,1021 5.017,1022 3.192,1023 7.941,1024 4.076,1025 7.62,1026 1.348,1027 9.27,1028 3.843,1029 6.29,1030 7.313,1031 4.666,1032 10.964,1033 5.983,1034 8.976,1035 1.152,1036 11.011,1037 2.91,1038 6.815,1039 8.057,1040 5.505,1041 12.829,1042 6.369,1043 10.365,1044 1,1045 12.791,1046 2.495,1047 8.249,1048 9.878,1049 6.696,1050 15.426,1051 7.775,1052 11.778,1053 1,1054 14.598,1055 2.275,1056 9.118,1057 11.018,1058 7.734,1059 17.597,1060 8.527,1061 13.208,1062 0.786,1063 16.423,1064 2.136,1065 10.37,1066 12.653,1067 8.859,1068 20.06,1069 9.734,1070 3.288,1071 0.268,1072 18.261,1073 2.035,1074 11.395,1075 13.992,1076 9.948,1077 22.361,1078 10.664,1079 3.09,1080 11.454,1081 20.11,1082 0.474,1083 12.58,1084 15.553,1085 11.057,1086 24.782,1087 11.794,1088 2.79,1089 10.182,1090 21.967,1091 4.629,1092 13.676,1093 16.989,1094 12.158,1095 27.143,1096 12.811,1097 2.622,1098 8.937,1099 23.832,1100 3.793,1101 14.84,1102 18.524,1103 13.264,1104 29.555,1105 13.916,1106 2.529,1107 8.65,1108 25.702,1109 3.356,1110 15.971,1111 20.008,1112 14.368,1113 31.946,1114 14.978,1115 2.098,1116 7.346,1117 27.577,1118 3.167,1119 17.13,1120 21.535,1121 15.474,1122 34.359,1123 16.079,1124 1.937,1125 5.744,1126 29.457,1127 3.013,1128 18.279,1129 23.042,1130 16.579,1131 36.766,1132 17.165,1133 14334,1134 28581,1135 23.75,1136 34.552,1137 54.156,1138 55.368,1139 54.924,1140 53.898,1141 53.734,1142 67.011,1143 13.166,1144 156.584,1145 49.62,1146 5.681,1147 6.269,1148 6.72,1149 5.325,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.093,1155 17.67,1156 1.504,1157 1.538,1158 1.526,1159 1.497,1160 1.493,1161 1.861,1162 0.366,1163 4.35,1164 1.378,1165 4.126,1166 4.177,1167 4.108,1168 3.968,1169 8.513,1170 3.995,1171 3.894,1172 3.931,1173 3.842,1174 3.793,1175 8.195,1176 3.801,1177 3.743,1178 3.804,1179 3.643,1180 3.506,1181 7.999,1182 3.527,1183 3.638,1184 3.707,1185 3.553,1186 3.378,1187 7.999,1188 3.406,1189 3.522,1190 3.575,1191 3.487,1192 3.244,1193 7.431,1194 3.286,1195 3.307,1196 3.365,1197 3.237,1198 3.062,1199 5.132,1200 3.093,1201 3.138,1202 3.206,1203 3.095,1204 2.941,1205 4.751,1206 2.91,1207 3.111,1208 3.2,1209 2.871,1210 2.841,1211 4.623,1212 2.893,1213 0.13,1214 0.119,1215 0.19,1216 0.117,1217 0.091,1218 4.681,1219 0.129,1220 4.269,1221 0.084,1222 6.856,1223 0.318,1224 4.221,1225 0.086,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.093,1231 1.951,1232 1.921,1233 2.029,1234 2.089,1235 1.223,1236 2.068,1237 1.798,1238 1.759,1239 1.935,1240 1.967,1241 1.109,1242 1.96,1243 1.622,1244 1.564,1245 1.785,1246 1.895,1247 0.997,1248 1.857,1249 1.538,1250 1.465,1251 1.759,1252 1.818,1253 0.971,1254 1.803,1255 1.484,1256 1.423,1257 1.63,1258 1.727,1259 0.825,1260 1.703,1261 1.181,1262 1.131,1263 1.513,1264 1.47,1265 0.782,1266 1.433,1267 1.153,1268 1.064,1269 1.331,1270 1.395,1271 0.343,1272 1.429,1273 1.025,1274 0.965,1275 1.181,1276 1.376,1277 0.23,1278 1.31,1279 4.29,1281 5.624,1282 2.398,1283 7.14,1284 4.727,1285 8.742,1286 6.843,1287 10.397,1291 51.352,1295 -0.035,1296 4.906,1297 5.373,1300 1.932,1301 -4.459,1305 34.854,1306 102.435,1307 215.851,1308 256.009,1309 272.009,1310 272.009,1311 272.009,1312 77.537,1313 8.013,1314 97.2,1315 97.2,1316 23,1317 12.79,1318 4.17,1319 3.322,1320 54.217,1321 141,1322 198,1323 0.184,1324 209.97,1325 370.16,1326 504.086,1327 32460,1328 7.4,1329 23.424,1330 0.71,1331 0.527,1332 20.217,1333 17.401,1334 15.837,1335 0.44,1336 0.283,1337 9.881,1338 14.67,1339 9.838,1340 7.974,1341 14.19,1342 10.181,1343 14.987,1344 0.294,1345 0.143,1346 12.277,1347 7.272,1348 11.2,1349 0.175,1350 0.077,1351 10.581,1352 4.897,1353 9.717,1354 0.11,1355 0.039,1356 9.124,1357 3.41,1358 8.171,1359 0.07,1360 0.02,1361 7.291,1362 2.312,1363 0.289,1364 103.191,1365 0.205,1366 30.617,1367 0.508,1368 174,1369 824.807,1370 213.541,1371 671.307,1372 870.16,1373 626,1374 202,1375 597.148,1376 234.085,1377 571.866,1378 858.69,1379 538,1380 6.503}
{0 CHEMBL574405,1 1.489,2 12.618,3 2.513,4 6.316,5 131.606,6 7.232,7 0.564,8 4.259,9 4.388,10 3.828,11 3.778,12 5.261,13 3.761,14 4.841,15 5.032,16 4.178,17 4.188,18 5.775,19 4.151,20 5.099,21 5.332,22 4.226,23 4.341,24 5.95,25 4.261,26 5.161,27 5.423,28 4.201,29 4.352,30 5.989,31 4.253,32 5.125,33 5.37,34 4.235,35 4.375,36 5.983,37 4.285,38 5.141,39 5.371,40 4.24,41 4.39,42 6.001,43 4.303,44 5.159,45 5.402,46 4.17,47 4.365,48 6.015,49 4.261,50 5.133,51 5.383,52 4.034,53 4.342,54 5.921,55 4.2,56 0.045,57 1.012,58 13.568,59 5.465,60 8.715,61 7.61,62 0.327,63 1.669,64 27.022,65 8.798,66 24.962,67 12.686,68 0.401,69 2.025,70 36.516,71 11.814,72 33.322,73 17.697,74 0.502,75 2.118,76 39.831,77 12.702,78 38.336,79 19.324,80 0.418,81 2.067,82 37.614,83 12.705,84 39.655,85 19.023,86 0.341,87 2.129,88 37.617,89 12.231,90 33.625,91 18.355,92 0.588,93 2.085,94 39.302,95 12.554,96 44.371,97 18.807,98 0.322,99 1.979,100 38.009,101 14.055,102 35.57,103 20.536,105 54,106 0.236,107 0.558,108 0.734,109 0.795,110 0.802,111 0.802,112 3.561,113 0.93,114 -4.84,115 -4.75,116 -4.46,119 41.3,121 2,125 7,127 1,142 7,143 3,145 3,147 1,149 1,161 1,166 1,172 8,174 3,175 14,183 8,186 2,187 9,195 3,198 6,199 6,207 5,211 4,212 7,220 6,223 1,224 8,232 6,236 5,237 5,245 6,249 3,250 8,258 1,263 11,271 2,275 2232,276 23.999,277 23.999,278 23.999,279 23.999,280 23.999,281 21.487,282 27.006,283 14.502,284 24.637,285 19.351,286 19.351,287 19.351,288 19.351,289 19.351,290 15.595,291 38.09,292 6.982,293 20.381,294 4.488,295 2.462,296 1.352,297 0.964,298 0.921,299 0.921,300 4.287,305 1,306 970,307 2.449,310 74.5,311 505.78,314 136.153,318 2.016,319 21.552,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 72.5,331 429,332 4.693,333 3.38,334 6.903,335 4.237,336 3.288,337 4.638,338 0.916,339 11.616,340 3.119,341 4.14,342 3.076,343 6.329,344 3.808,345 2.859,346 3.717,347 0.86,348 9.593,349 2.724,350 3.978,351 2.948,352 6.099,353 3.689,354 2.725,355 3.457,356 0.8,357 8.899,358 2.626,359 3.927,360 2.783,361 5.637,362 3.606,363 2.649,364 3.329,365 0.172,366 7.742,367 2.543,368 3.526,369 2.515,370 5.516,371 3.319,372 2.355,373 2.7,375 7.114,376 2.25,377 3.325,378 2.365,379 5.044,380 3.049,381 2.107,382 2.602,384 6.052,385 1.975,386 3.244,387 2.124,388 4.747,389 2.763,390 1.823,391 2.344,393 4.823,394 1.71,395 2.944,396 1.825,397 4.524,398 2.651,399 1.732,400 2.052,402 4.66,403 1.591,404 2.824,405 1.578,406 4.083,407 2.415,408 1.428,409 1.938,411 3.226,412 1.406,413 2.733,414 1.487,415 3.803,416 2.211,417 1.292,418 1.821,420 3.053,421 1.186,422 2.5,423 1.263,424 3.587,425 2.145,426 1.225,427 1.5,428 2.984,429 1.118,430 2.5,431 1.256,432 3.51,433 2,434 1.042,435 1.5,436 2.649,437 1,438 2.488,439 1.077,440 3.414,441 1.984,442 1,443 1.483,445 2.275,446 0.983,447 2.38,448 1.066,449 3.386,450 1.984,451 1,452 1.368,454 2.136,455 0.983,456 2.003,457 1,458 3.247,459 1.978,460 1,461 1,463 2.136,464 0.971,465 16.133,466 0.475,467 0.582,468 0.017,469 44.25,470 1.301,471 20.5,472 0.603,473 23.75,474 0.699,475 30.724,476 0.904,477 36.067,478 0.572,479 32.694,480 0.962,481 8.557,482 0.252,483 8.291,484 0.244,487 0.291,493 0.828,494 1.483,495 0.776,496 1.185,497 0.698,498 1.009,499 1.391,500 1.128,501 1.001,502 0.949,503 1.04,504 0.931,505 1.113,506 1.161,507 1.003,508 1.005,509 0.884,510 0.992,511 0.843,512 0.921,513 0.946,514 0.902,515 0.959,516 0.922,517 0.798,518 0.996,519 0.917,520 0.948,521 1.004,522 0.941,523 1.104,524 1.176,525 1.102,526 1.102,527 1.107,528 1.091,529 1.073,530 0.966,531 1.145,532 1.018,533 1.148,534 1.071,535 0.72,536 1.066,537 1.086,538 1.211,539 0.868,540 1.198,541 4.5,542 0.135,543 3.111,544 1.535,545 1.405,546 1.219,547 0.873,548 0.386,549 0.19,550 0.187,551 18088,552 40688,553 2.253,554 46,556 22,558 3,562 4,564 1.763,565 2.217,566 3.576,567 -0.758,573 93.824,574 1.489,575 3.516,576 4.626,577 5.013,578 5.057,579 5.057,580 3.05,581 4.374,582 5.052,583 3.78,584 2120.7,585 8.881,586 31953.1,591 376.569,592 0.874,593 5.06,594 0.115,595 0.005,596 0.058,597 0.028,598 0.027,599 0.022,600 0.016,601 0.008,602 0.004,603 0.005,604 0.287,605 0.17,606 0.88,608 181.24,609 0.08,610 -0.276,611 0.102,612 -0.129,613 0.132,614 -0.031,615 -0.112,616 0.007,617 -0.038,618 0.02,619 -0.026,621 -0.054,622 -0.119,623 -0.027,624 -0.034,625 0.047,626 -0.031,627 0.064,628 0.102,629 0.041,630 0.048,631 0.02,632 0.042,633 0.071,634 0.033,635 0.05,636 0.033,637 -0.015,638 0.039,639 -0.129,640 -0.11,641 -0.138,642 -0.134,643 -0.167,644 -0.134,645 0.006,646 0.072,647 -0.161,648 -0.061,649 -0.105,650 -0.117,651 0.036,652 -0.094,653 -0.13,654 -0.194,655 -0.019,656 -0.186,657 0.998,658 2.082,659 0.971,660 40.471,661 0.996,662 1.131,663 3.614,664 13.06,665 0.665,666 3.689,667 4.007,668 4.331,669 4.644,670 4.934,671 5.069,672 5.323,673 5.525,674 5.677,675 5.817,676 7.415,677 0.63,678 455.62,679 3.689,680 5.231,681 6.098,682 6.982,683 7.868,684 8.764,685 9.662,686 10.566,687 11.471,688 12.38,689 11.1,692 1,695 1,697 1,699 4,703 2,704 10,705 4,709 4,710 1,711 22,726 1,731 63,733 22,734 1,735 39,737 68,738 26,739 16,740 1,741 5,746 6,747 7,755 3,758 3,761 16,762 10,781 29,782 7,784 8,790 7,794 0.833,795 1,803 1,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 34,854 9,856 1,858 1,859 2,870 1.6,874 1,877 15.333,878 11.233,879 7.417,880 4.002,881 3.695,882 1.429,883 1.021,884 6.133,885 12.306,886 3.932,887 4.514,888 5.135,889 5.76,890 6.329,891 6.692,892 7.211,893 7.669,894 8,895 8.365,896 1,897 55,898 12.592,900 5.394,901 7.451,902 24.898,904 21.141,905 1.951,906 66.333,910 341.362,911 133.574,912 75.045,914 11,917 133.574,918 352.362,919 75.045,921 24.782,922 66.334,923 115.048,924 46.439,925 2.328,926 306.049,928 341.362,929 208.618,930 11,933 296.605,934 47.084,935 11,937 58.541,938 80.73,939 67.02,941 341.362,942 86.045,943 133.574,946 341.362,947 40.098,948 101.501,950 78.019,951 341.362,952 86.045,953 133.574,955 0.573,956 0.338,957 0.193,958 0.11,959 28,960 10,961 0.074,962 5,963 1,964 1.061,965 4.594,966 338.703,967 0.061,968 33,969 156.974,974 21.516,975 9.692,976 4.538,977 1.941,978 84.268,979 20.177,980 18.998,984 4.014,985 2.144,987 560.98,988 50,999 62.76,1000 71.265,1001 0.249,1002 0.588,1003 0.774,1004 0.839,1005 0.846,1006 0.846,1007 5.168,1008 1.732,1009 6.057,1010 4.823,1011 4.691,1012 5.201,1013 1.598,1014 6.87,1015 4.592,1016 6.339,1017 1.428,1018 7.603,1019 4.66,1020 4.111,1021 4.844,1022 0.57,1023 7.758,1024 3.962,1025 7.628,1026 1.292,1027 9.256,1028 3.226,1029 6.271,1030 7.378,1031 1.256,1032 10.915,1033 6.077,1034 8.956,1035 1.225,1036 10.975,1037 3.053,1038 6.594,1039 7.975,1040 0.581,1041 12.701,1042 6.35,1043 10.324,1044 1.042,1045 12.739,1046 2.984,1047 8.153,1048 9.918,1049 1.023,1050 15.356,1051 7.864,1052 11.722,1053 1,1054 14.534,1055 2.649,1056 8.906,1057 10.985,1058 0.515,1059 17.507,1060 8.564,1061 13.144,1062 1,1063 16.351,1064 2.275,1065 10.215,1066 12.679,1067 0.84,1068 20.003,1069 9.826,1070 3.288,1071 1,1072 18.186,1073 2.136,1074 11.18,1075 13.984,1076 0.441,1077 22.312,1078 10.735,1079 2.859,1080 11.616,1081 20.034,1082 2.136,1083 12.387,1084 15.573,1085 0.689,1086 24.761,1087 11.894,1088 2.725,1089 9.593,1090 21.892,1091 4.638,1092 13.455,1093 16.995,1094 0.373,1095 27.14,1096 12.905,1097 2.649,1098 8.899,1099 23.76,1100 3.717,1101 14.628,1102 18.543,1103 0.564,1104 29.578,1105 14.027,1106 2.355,1107 7.742,1108 25.634,1109 3.457,1110 15.747,1111 20.022,1112 0.314,1113 31.991,1114 15.09,1115 2.107,1116 7.114,1117 27.515,1118 3.329,1119 16.912,1120 21.556,1121 0.461,1122 34.429,1123 16.201,1124 1.823,1125 6.052,1126 29.402,1127 2.7,1128 18.058,1129 23.062,1130 0.264,1131 36.859,1132 17.291,1133 16367,1134 24728,1135 27.622,1136 41.87,1137 58.818,1138 58.829,1139 58.692,1140 58.639,1141 58.577,1142 74.835,1143 5.498,1144 166.278,1145 55.67,1146 5.693,1147 5.38,1148 6.705,1149 5.34,1150 5.288,1151 7.638,1152 1.776,1153 19.165,1154 5.119,1156 1.508,1157 1.508,1158 1.505,1159 1.504,1160 1.502,1161 1.919,1162 0.141,1163 4.264,1164 1.427,1165 4.139,1166 4.192,1167 4.114,1168 3.975,1169 5.141,1170 4.003,1171 3.93,1172 3.971,1173 3.853,1174 3.853,1175 4.88,1176 3.848,1177 3.845,1178 3.89,1179 3.784,1180 3.731,1181 4.755,1182 3.738,1183 3.775,1184 3.831,1185 3.669,1186 3.618,1187 4.627,1188 3.621,1189 3.688,1190 3.747,1191 3.573,1192 3.482,1193 4.512,1194 3.497,1195 3.278,1196 3.353,1197 3.206,1198 3.074,1199 4.255,1200 3.083,1201 3.128,1202 3.206,1203 3.018,1204 2.941,1205 4.006,1206 2.949,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.757,1212 2.91,1213 0.12,1214 0.087,1215 0.177,1216 0.109,1217 0.084,1218 4.693,1219 0.119,1220 3.38,1221 0.023,1222 6.903,1223 0.298,1224 4.237,1225 0.08,1226 3.288,1227 4.638,1228 0.916,1229 11.616,1230 3.119,1231 1.942,1232 1.902,1233 2.082,1234 2.104,1235 1.426,1236 2.092,1237 1.913,1238 1.88,1239 2.007,1240 2.042,1241 1.219,1242 2.038,1243 1.807,1244 1.755,1245 1.973,1246 1.95,1247 1.14,1248 1.962,1249 1.747,1250 1.699,1251 1.911,1252 1.933,1253 1.01,1254 1.93,1255 1.57,1256 1.523,1257 1.703,1258 1.766,1259 0.849,1260 1.751,1261 1.315,1262 1.236,1263 1.514,1264 1.6,1265 0.825,1266 1.57,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.727,1278 1.429,1279 4.369,1281 5.687,1282 2.398,1283 7.213,1284 4.727,1285 8.829,1286 6.862,1287 10.494,1295 8.308,1297 5.582,1299 0.335,1300 4.834,1305 39.659,1306 93.824,1307 221.477,1308 291.407,1309 315.814,1310 318.569,1311 318.569,1312 42.413,1313 8.611,1314 72.2,1315 72.2,1316 35,1317 12.897,1318 4.524,1319 3.585,1320 45.023,1321 146,1322 179,1323 0.145,1324 238.093,1325 399.99,1326 572.708,1327 71035,1329 22.744,1330 0.669,1331 0.566,1332 22.744,1333 19.254,1334 16.848,1335 0.432,1336 0.31,1337 11.912,1338 16.153,1339 11.72,1340 9.601,1341 16.848,1342 12.096,1343 14.781,1344 0.274,1345 0.167,1346 14.781,1347 9.025,1348 13.093,1349 0.175,1350 0.091,1351 13.093,1352 6.835,1353 11.408,1354 0.111,1355 0.048,1356 11.408,1357 4.988,1358 9.736,1359 0.071,1360 0.026,1361 9.736,1362 3.632,1363 0.228,1364 105.586,1365 0.19,1366 31.389,1367 0.402,1368 186,1369 479.251,1370 203.505,1371 464.001,1372 656.9,1373 442,1374 222,1375 500.479,1376 242.393,1377 504.374,1378 746.25,1379 477,1380 5.558}
{0 CHEMBL574641,1 1.468,2 13.297,3 3.957,4 15.659,5 144.85,6 7.26,7 0.605,8 4.341,9 4.469,10 3.915,11 3.878,12 5.333,13 3.86,14 4.923,15 5.106,16 4.287,17 4.307,18 5.855,19 4.268,20 5.184,21 5.413,22 4.321,23 4.45,24 6.039,25 4.367,26 5.246,27 5.505,28 4.286,29 4.452,30 6.075,31 4.351,32 5.196,33 5.442,34 4.302,35 4.446,36 6.041,37 4.353,38 5.201,39 5.431,40 4.335,41 4.453,42 6.081,43 4.376,44 5.217,45 5.454,46 4.281,47 4.452,48 6.078,49 4.358,50 5.212,51 5.451,52 4.227,53 4.461,54 6.004,55 4.343,56 0.062,57 1.086,58 14.604,59 5.956,60 9.004,61 8.19,62 0.326,63 1.826,64 28.822,65 9.925,66 24.626,67 13.989,68 0.411,69 2.23,70 39.374,71 13.309,72 35.038,73 19.524,74 0.522,75 2.34,76 43.128,77 14.208,78 40.552,79 21.255,80 0.428,81 2.232,82 40.347,83 13.924,84 39.289,85 20.618,86 0.373,87 2.301,88 39.864,89 12.77,90 37.883,91 19.028,92 0.611,93 2.271,94 41.258,95 13.319,96 45.832,97 19.675,98 0.34,99 2.226,100 40.519,101 14.962,102 34.3,103 21.694,105 61,106 0.228,107 0.572,108 0.75,109 0.824,110 0.831,111 0.831,112 3.643,113 0.923,114 -5.37,115 -5.25,116 -4.91,119 42.6,121 2,125 7,127 1,142 9,143 4,145 1,147 1,149 1,151 1,152 1,161 1,166 1,172 11,174 3,175 12,180 3,183 12,186 2,187 8,192 2,195 7,198 6,199 8,204 1,207 6,211 2,212 9,215 2,220 6,223 1,224 12,232 7,236 3,237 7,240 2,242 1,245 7,249 2,250 11,253 1,258 4,263 11,268 2,271 4,275 2848,276 26.101,277 26.101,278 26.101,279 26.101,280 26.101,281 23.203,282 27.006,283 15.498,284 26.728,285 21.322,286 21.322,287 21.322,288 21.322,289 21.322,290 16.907,291 38.09,292 7.443,293 22.349,294 4.619,295 2.401,296 1.254,297 0.776,298 0.735,299 0.735,300 4.376,305 1,306 1130,307 2.646,310 167.875,311 524.105,314 293.026,318 2.073,319 22.559,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78.5,331 492,332 4.696,333 3.381,334 6.903,335 4.239,336 3.29,337 4.642,338 0.916,339 11.618,340 3.124,341 4.439,342 3.077,343 6.336,344 3.957,345 2.976,346 4.372,347 0.86,348 9.651,349 2.919,350 4.05,351 2.979,352 6.265,353 3.778,354 2.835,355 3.533,356 0.8,357 9.447,358 2.678,359 3.936,360 2.947,361 5.973,362 3.607,363 2.649,364 3.456,365 0.172,366 8.476,367 2.551,368 3.9,369 2.639,370 5.636,371 3.54,372 2.577,373 3.285,375 7.741,376 2.48,377 3.524,378 2.486,379 5.516,380 3.314,381 2.349,382 2.606,384 7.11,385 2.248,386 3.259,387 2.357,388 5.044,389 3.043,390 2.1,391 2.356,393 6.052,394 1.972,395 3.051,396 2.121,397 4.746,398 2.654,399 1.734,400 2.318,402 4.82,403 1.594,404 3.033,405 1.581,406 4.506,407 2.509,408 1.552,409 2.299,411 4.506,412 1.495,413 2.942,414 1.55,415 4.326,416 2.505,417 1.533,418 2.046,420 4.108,421 1.475,422 2.818,423 1.533,424 4.083,425 2.415,426 1.427,427 1.913,428 3.225,429 1.406,430 2.604,431 1.487,432 3.767,433 2.154,434 1.255,435 1.648,436 2.993,437 1.121,438 2.5,439 1.256,440 3.587,441 2.094,442 1.138,443 1.5,445 2.901,446 1.085,447 2.492,448 1.145,449 3.452,450 2,451 1.024,452 1.488,454 2.393,455 1,456 2.385,457 1.077,458 3.414,459 1.984,460 1,461 1.373,463 2.275,464 0.983,465 17.633,466 0.477,467 0.701,468 0.019,469 48.25,470 1.304,471 22.5,472 0.608,473 25.75,474 0.696,475 34.558,476 0.934,477 38.767,478 0.57,479 36.796,480 0.994,481 9.295,482 0.251,483 9.019,484 0.244,487 0.323,493 0.869,494 1.392,495 0.779,496 1.111,497 0.756,498 0.963,499 1.355,500 1.123,501 0.978,502 0.947,503 1.015,504 0.924,505 1.11,506 1.159,507 1.01,508 1.013,509 0.893,510 1.002,511 0.867,512 0.935,513 0.965,514 0.916,515 1.048,516 0.936,517 0.8,518 1.017,519 0.907,520 0.95,521 1.046,522 0.936,523 1.204,524 1.19,525 1.082,526 1.05,527 1.231,528 1.038,529 1.15,530 0.963,531 1.132,532 0.976,533 1.294,534 1.03,535 0.795,536 1.092,537 1.045,538 1.149,539 0.828,540 1.128,541 5.5,542 0.169,543 3.778,544 1.729,545 1.742,546 1.25,547 0.919,548 0.518,549 0.382,550 0.27,551 23335,552 50324,553 2.281,554 45.6,556 24,557 1,558 1,559 1,562 4,564 1.784,565 2.242,566 3.65,567 -0.392,573 99.834,574 1.468,575 3.686,576 4.833,577 5.312,578 5.352,579 5.352,580 3.105,581 4.777,582 5.174,583 3.855,584 2567.54,585 9.13,586 41040.8,591 413.947,592 0.909,593 5.181,594 0.128,595 0.004,596 0.062,597 0.028,598 0.03,599 0.021,600 0.015,601 0.009,602 0.007,603 0.005,604 0.31,605 0.17,606 0.75,608 202.332,609 0.065,610 -0.205,611 0.098,612 -0.081,613 0.091,614 -0.004,615 -0.089,616 0.008,617 -0.024,618 0.022,619 -0.007,620 0.005,621 -0.048,622 -0.116,623 -0.035,624 -0.044,625 0.065,626 -0.042,627 0.059,628 0.093,629 0.025,630 0.035,631 -0.01,632 0.027,633 0.09,634 0.005,635 0.068,636 0.024,637 -0.012,638 0.04,639 -0.134,640 -0.111,641 -0.105,642 -0.106,643 -0.145,644 -0.099,645 -0.005,646 0.094,647 -0.144,648 -0.029,649 -0.158,650 -0.088,651 0.028,652 -0.092,653 -0.086,654 -0.148,655 0.003,656 -0.134,657 1.004,658 2.126,659 0.973,660 46.51,661 0.995,662 1.128,663 4.136,664 17.109,665 0.671,666 3.784,667 4.127,668 4.466,669 4.787,670 5.063,671 5.226,672 5.481,673 5.707,674 5.883,675 6.082,676 7.787,677 0.635,678 493.67,679 3.784,680 5.342,681 6.221,682 7.114,683 8.008,684 8.91,685 9.813,686 10.721,687 11.63,688 12.542,689 10.3,692 1,695 1,697 2,699 3,703 4,704 11,705 3,706 1,709 4,710 1,711 26,726 1,731 68,733 26,734 2,735 43,737 74,738 29,739 19,740 4,741 8,746 7,747 9,755 3,758 3,761 19,762 10,781 31,782 6,783 1,784 8,790 7,794 0.714,795 1,803 1,806 1,807 1,811 2,812 5,815 2,836 1,839 1,840 5,848 37,854 9,856 1,858 1,859 2,870 1.5,874 1,877 16.5,878 12.117,879 7.944,880 4.327,881 4.656,882 1.511,883 1.052,884 6.131,885 13.761,886 4.043,887 4.673,888 5.333,889 5.983,890 6.54,891 6.973,892 7.508,893 8.022,894 8.407,895 8.915,896 0.889,897 61,898 13.717,900 5.963,901 7.423,902 27.21,904 23.505,905 1.923,906 71.167,910 353.133,911 148.196,912 75.045,914 11,917 148.196,918 364.133,919 75.045,921 24.782,922 94.334,923 74.72,924 47.703,925 16.243,926 329.591,928 353.133,929 223.241,930 11,933 308.377,934 47.084,935 11,937 57.231,938 113.447,939 50.234,941 353.133,942 86.045,943 148.196,946 353.133,947 44.815,948 111.406,949 16.786,950 61.234,951 353.133,952 86.045,953 148.196,955 0.581,956 0.346,957 0.196,958 0.107,959 33,960 12,961 0.068,962 5,963 2,964 1.111,965 4.851,966 389.477,967 0.111,968 36,969 180.75,974 22.913,975 9.901,976 4.523,977 4.233,978 67.483,979 23.146,980 15.097,981 3.32,984 4.088,985 2.164,986 16.786,987 587.374,988 56,999 67.643,1000 76.68,1001 0.241,1002 0.606,1003 0.794,1004 0.873,1005 0.879,1006 0.879,1007 5.291,1008 1.734,1009 6.192,1010 6.052,1011 4.812,1012 5.361,1013 1.598,1014 7.022,1015 4.723,1016 6.484,1017 1.552,1018 7.751,1019 4.82,1020 4.29,1021 5.121,1022 0.57,1023 7.928,1024 4.159,1025 7.791,1026 1.533,1027 9.413,1028 4.506,1029 6.415,1030 7.608,1031 1.256,1032 11.073,1033 6.242,1034 9.137,1035 1.427,1036 11.137,1037 4.108,1038 6.781,1039 8.305,1040 0.581,1041 12.852,1042 6.564,1043 10.521,1044 1.255,1045 12.903,1046 3.225,1047 8.313,1048 10.208,1049 1.023,1050 15.495,1051 8.056,1052 11.934,1053 1.138,1054 14.697,1055 2.993,1056 9.09,1057 11.341,1058 0.515,1059 17.631,1060 8.787,1061 13.367,1062 1.024,1063 16.513,1064 2.901,1065 10.382,1066 13.009,1067 0.84,1068 20.115,1069 10.039,1070 3.29,1071 1,1072 18.344,1073 2.393,1074 11.356,1075 14.347,1076 0.441,1077 22.409,1078 10.964,1079 2.976,1080 11.618,1081 20.187,1082 2.275,1083 12.553,1084 15.92,1085 0.689,1086 24.846,1087 12.119,1088 2.835,1089 9.651,1090 22.04,1091 4.642,1092 13.622,1093 17.353,1094 0.373,1095 27.213,1096 13.137,1097 2.649,1098 9.447,1099 23.901,1100 4.372,1101 14.786,1102 18.889,1103 0.564,1104 29.641,1105 14.256,1106 2.577,1107 8.476,1108 25.769,1109 3.533,1110 15.901,1111 20.367,1112 0.314,1113 32.045,1114 15.321,1115 2.349,1116 7.741,1117 27.644,1118 3.456,1119 17.059,1120 21.89,1121 0.461,1122 34.475,1123 16.43,1124 2.1,1125 7.11,1126 29.523,1127 3.285,1128 18.199,1129 23.389,1130 0.264,1131 36.898,1132 17.518,1133 20746,1134 30660,1135 30.512,1136 45.631,1137 65.587,1138 65.468,1139 65.247,1140 65.307,1141 65.252,1142 84.847,1143 5.498,1144 189.372,1145 62.323,1146 5.696,1147 5.381,1148 6.705,1149 5.343,1150 5.29,1151 7.642,1152 1.776,1153 19.166,1154 5.124,1156 1.525,1157 1.523,1158 1.517,1159 1.519,1160 1.517,1161 1.973,1162 0.128,1163 4.404,1164 1.449,1165 4.173,1166 4.218,1167 4.143,1168 4.059,1169 5.144,1170 4.071,1171 4.056,1172 4.101,1173 4.017,1174 3.917,1175 4.957,1176 3.938,1177 3.928,1178 3.969,1179 3.852,1180 3.849,1181 4.755,1182 3.847,1183 3.787,1184 3.845,1185 3.681,1186 3.632,1187 4.63,1188 3.633,1189 3.696,1190 3.754,1191 3.58,1192 3.486,1193 4.552,1194 3.501,1195 3.461,1196 3.517,1197 3.399,1198 3.329,1199 4.267,1200 3.337,1201 3.24,1202 3.311,1203 3.129,1204 3.066,1205 4.181,1206 3.066,1207 3.111,1208 3.206,1209 2.975,1210 2.941,1211 3.981,1212 2.91,1213 0.109,1214 0.079,1215 0.161,1216 0.099,1217 0.077,1218 4.696,1219 0.108,1220 3.381,1221 0.021,1222 6.903,1223 0.27,1224 4.239,1225 0.073,1226 3.29,1227 4.642,1228 0.916,1229 11.618,1230 3.124,1231 1.978,1232 1.951,1233 2.083,1234 2.111,1235 1.426,1236 2.098,1237 1.928,1238 1.893,1239 2.04,1240 2.051,1241 1.223,1242 2.053,1243 1.838,1244 1.796,1245 1.99,1246 1.97,1247 1.163,1248 1.972,1249 1.774,1250 1.722,1251 1.935,1252 1.95,1253 1.139,1254 1.956,1255 1.587,1256 1.538,1257 1.724,1258 1.786,1259 0.892,1260 1.77,1261 1.481,1262 1.419,1263 1.654,1264 1.696,1265 0.825,1266 1.692,1267 1.316,1268 1.237,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.153,1274 1.086,1275 1.513,1276 1.376,1277 0.73,1278 1.429,1279 4.466,1281 5.802,1282 3.045,1283 7.339,1284 5.352,1285 8.964,1286 7.424,1287 10.638,1295 8.301,1297 5.626,1299 0.329,1300 4.862,1305 43.186,1306 99.834,1307 250.654,1308 328.663,1309 361.193,1310 363.947,1311 363.947,1312 45.297,1313 9.105,1314 75.1,1315 75.1,1316 40,1317 13.057,1318 4.755,1319 3.807,1320 46.65,1321 166,1322 209,1323 0.131,1324 256.55,1325 425.99,1326 617.741,1327 129286,1329 24.606,1330 0.665,1331 0.564,1332 24.606,1333 20.884,1334 18.315,1335 0.426,1336 0.308,1337 13.049,1338 17.628,1339 12.837,1340 10.505,1341 18.315,1342 13.235,1343 16.407,1344 0.269,1345 0.165,1346 16.407,1347 10.069,1348 14.774,1349 0.172,1350 0.09,1351 14.774,1352 7.709,1353 12.97,1354 0.109,1355 0.048,1356 12.97,1357 5.674,1358 10.833,1359 0.069,1360 0.026,1361 10.833,1362 4.067,1363 0.205,1364 114.338,1365 0.181,1366 33.6,1367 0.362,1368 208,1369 509.939,1370 225.838,1371 497.352,1372 711.58,1373 474,1374 251,1375 550.338,1376 271.892,1377 556.128,1378 826.69,1379 527,1380 5.896}
{0 CHEMBL574672,1 1.513,2 12.686,3 3.396,4 11.535,5 135.457,6 7.24,7 0.55,8 4.29,9 4.413,10 3.852,11 3.809,12 5.315,13 3.793,14 4.864,15 5.047,16 4.214,17 4.223,18 5.823,19 4.187,20 5.139,21 5.364,22 4.282,23 4.376,24 6.04,25 4.303,26 5.207,27 5.462,28 4.267,29 4.384,30 6.123,31 4.293,32 5.163,33 5.405,34 4.272,35 4.402,36 6.045,37 4.318,38 5.175,39 5.401,40 4.299,41 4.418,42 6.077,43 4.338,44 5.195,45 5.427,46 4.264,47 4.4,48 6.121,49 4.315,50 5.195,51 5.425,52 4.126,53 4.402,54 6.072,55 4.281,56 0.054,57 1.012,58 14.077,59 5.811,60 10.304,61 7.867,62 0.304,63 1.687,64 27.473,65 9.405,66 25.27,67 13.26,68 0.402,69 2.078,70 37.98,71 12.503,72 39.057,73 18.372,74 0.629,75 2.191,76 41.926,77 13.318,78 58.613,79 19.982,80 0.403,81 2.125,82 39.222,83 13.007,84 43.483,85 19.417,86 0.444,87 2.183,88 39.047,89 12.674,90 39.361,91 18.873,92 0.596,93 2.143,94 40.685,95 12.861,96 52.734,97 19.022,98 0.411,99 2.06,100 40.536,101 14.733,102 48.706,103 20.722,104 2,105 56,106 0.239,107 0.57,108 0.726,109 0.805,110 0.829,111 0.829,112 3.589,113 0.929,114 -5.31,115 -5.2,116 -4.86,119 41.5,121 2,125 7,127 1,142 9,143 3,144 1,145 1,147 1,149 1,161 1,166 1,172 10,174 3,175 12,180 2,183 11,186 2,187 6,192 2,195 5,198 6,199 10,202 2,204 1,207 5,211 2,212 7,220 5,223 1,224 11,227 2,229 1,232 8,236 3,237 8,240 1,245 5,249 2,250 8,255 2,258 5,263 10,266 1,271 4,275 2411,276 24.499,277 24.499,278 24.499,279 24.499,280 24.499,281 21.934,282 29.163,283 14.66,284 25.096,285 19.818,286 19.818,287 19.818,288 19.818,289 19.818,290 15.985,291 39.253,292 7.027,293 20.817,294 4.509,295 2.407,296 1.418,297 0.917,298 0.769,299 0.769,300 4.312,305 1,306 999,307 2.55,310 76.819,311 520.771,314 139.791,318 2.016,319 27.499,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 444,332 4.698,333 3.386,334 6.908,335 4.244,336 3.295,337 4.641,338 0.916,339 11.633,340 3.127,341 4.285,342 3.081,343 6.434,344 3.903,345 2.936,346 3.926,347 0.86,348 9.896,349 2.839,350 4,351 3.017,352 6.307,353 3.756,354 2.812,355 3.457,356 0.8,357 9.491,358 2.659,359 3.929,360 2.947,361 5.639,362 3.606,363 2.649,364 3.351,365 0.172,366 7.743,367 2.545,368 3.531,369 2.543,370 5.518,371 3.324,372 2.363,373 2.822,375 7.134,376 2.252,377 3.437,378 2.377,379 5.073,380 3.067,381 2.13,382 2.604,384 6.061,385 1.989,386 3.25,387 2.16,388 5.044,389 2.938,390 1.988,391 2.344,393 5.793,394 1.883,395 2.944,396 2.079,397 4.741,398 2.652,399 1.733,400 2.052,402 4.818,403 1.592,404 2.863,405 1.578,406 4.087,407 2.415,408 1.428,409 2.022,411 3.317,412 1.406,413 2.823,414 1.522,415 4.026,416 2.392,417 1.414,418 1.931,420 3.224,421 1.377,422 2.711,423 1.487,424 3.722,425 2.221,426 1.285,427 1.792,428 3,429 1.204,430 2.5,431 1.256,432 3.587,433 2.146,434 1.218,435 1.5,436 2.978,437 1.118,438 2.489,439 1.253,440 3.578,441 2,442 1.039,443 1.484,445 2.703,446 1,447 2.382,448 1.077,449 3.414,450 1.993,451 1,452 1.369,454 2.275,455 0.986,456 2.008,457 1.062,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 16.567,466 0.473,467 0.671,468 0.019,469 45,470 1.286,471 21,472 0.6,473 24,474 0.686,475 32.391,476 0.925,477 37.433,478 0.576,479 34.773,480 0.994,481 8.732,482 0.249,483 8.527,484 0.244,485 0.02,487 0.314,493 0.878,494 1.409,495 0.794,496 1.14,497 0.854,498 0.988,499 1.189,500 1.143,501 0.972,502 0.977,503 0.761,504 0.945,505 1.051,506 1.189,507 0.982,508 1.019,509 0.816,510 0.992,511 0.816,512 0.929,513 0.939,514 0.898,515 0.859,516 0.919,517 0.85,518 1.051,519 0.926,520 0.938,521 0.889,522 0.929,523 0.95,524 1.159,525 1.07,526 1.073,527 0.867,528 1.069,529 1.083,530 1.017,531 1.11,532 1.011,533 0.986,534 1.041,535 1.107,536 1.044,537 1.189,538 1.188,539 1.455,540 1.202,541 5,542 0.164,543 3.556,544 1.972,545 1.516,546 1.247,547 1.047,548 0.552,549 0.26,550 0.213,551 19135,552 43659,553 2.227,554 46.2,556 24,558 1,559 1,562 4,564 1.771,565 2.165,566 3.567,567 -0.373,573 98.355,574 1.513,575 3.615,576 4.605,577 5.105,578 5.253,579 5.253,580 3.031,581 4.786,582 5.094,583 3.784,584 2251.61,585 8.969,586 34511.7,591 391.454,592 1.069,593 5.093,594 0.125,595 0.006,596 0.063,597 0.034,598 0.027,599 0.021,600 0.018,601 0.01,602 0.006,603 0.005,604 0.316,605 0.17,606 0.75,607 0.293,608 187.914,609 0.021,610 -0.208,611 0.083,612 -0.077,613 -0.01,614 -0.007,615 -0.081,616 0.002,617 -0.024,618 0.004,619 0.002,620 -0.004,621 -0.043,622 -0.136,623 -0.009,624 -0.049,625 0.048,626 -0.031,627 0.121,628 0.11,629 0.051,630 0.043,631 0.112,632 0.036,633 -0.009,634 -0.004,635 0.04,636 0.032,637 -0.064,638 0.044,639 -0.021,640 -0.071,641 -0.108,642 -0.115,643 -0.073,644 -0.118,645 -0.002,646 0.044,647 -0.125,648 -0.062,649 0.002,650 -0.096,651 -0.108,652 -0.054,653 -0.221,654 -0.181,655 -0.175,656 -0.211,657 1.486,658 4.515,659 0.943,660 41.476,661 0.998,662 1.129,663 4.083,664 16.672,665 0.663,666 3.714,667 4.043,668 4.369,669 4.682,670 4.963,671 5.106,672 5.366,673 5.576,674 5.72,675 5.866,676 7.464,677 0.629,678 470.63,679 3.714,680 5.263,681 6.133,682 7.022,683 7.911,684 8.811,685 9.71,686 10.617,687 11.524,688 12.436,689 9.2,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,728 1,731 65,733 22,734 2,735 40,737 70,738 27,739 17,740 3,741 9,746 6,747 7,755 3,758 3,761 17,762 10,781 30,782 7,783 1,784 8,790 6,794 0.833,795 2,803 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,853 1,854 9,856 1,858 1,859 2,870 3.1,872 1,874 1,877 16.167,878 11.483,879 7.611,880 4.093,881 3.763,882 1.433,883 1.003,884 6.383,885 12.447,886 3.951,887 4.546,888 5.17,889 5.795,890 6.359,891 6.733,892 7.252,893 7.722,894 8.048,895 8.424,896 1,897 58,898 12.992,900 5.623,901 7.529,902 25.504,904 21.741,905 2.029,906 71,910 341.362,911 134.431,912 58.259,914 53.683,917 134.431,918 395.045,919 58.259,921 24.782,922 85.286,923 117.404,924 28.345,925 2.328,926 329.591,928 341.362,929 192.691,930 53.683,933 296.605,934 89.768,935 11,937 40.446,938 99.683,939 50.234,941 341.362,942 111.942,943 134.431,946 341.362,947 40.098,948 102.359,950 103.917,951 341.362,952 111.942,953 134.431,955 0.577,956 0.343,957 0.194,958 0.108,959 29,960 11,961 0.071,962 5,963 1,964 1.061,965 4.617,966 354.437,967 0.061,968 33,969 167.525,974 22.475,975 9.94,976 4.639,977 1.791,978 110.166,979 19.817,980 14.668,984 3.56,985 2.088,986 42.683,987 587.736,988 51,999 64.869,1000 73.391,1001 0.251,1002 0.6,1003 0.765,1004 0.848,1005 0.872,1006 0.872,1007 5.196,1008 1.733,1009 6.103,1010 5.793,1011 4.727,1012 5.234,1013 1.598,1014 6.929,1015 4.632,1016 6.377,1017 1.428,1018 7.661,1019 4.818,1020 4.205,1021 4.945,1022 0.57,1023 7.847,1024 4.05,1025 7.675,1026 1.414,1027 9.324,1028 3.317,1029 6.323,1030 7.427,1031 1.256,1032 11,1033 6.134,1034 9.011,1035 1.285,1036 11.052,1037 3.224,1038 6.686,1039 8.069,1040 0.581,1041 12.8,1042 6.438,1043 10.388,1044 1.218,1045 12.824,1046 3,1047 8.221,1048 9.982,1049 1.023,1050 15.457,1051 7.939,1052 11.793,1053 1.039,1054 14.626,1055 2.978,1056 9,1057 11.073,1058 0.515,1059 17.613,1060 8.66,1061 13.22,1062 1,1063 16.45,1064 2.703,1065 10.298,1066 12.75,1067 0.84,1068 20.109,1069 9.919,1070 3.295,1071 1,1072 18.29,1073 2.275,1074 11.277,1075 14.064,1076 0.441,1077 22.416,1078 10.842,1079 2.936,1080 11.633,1081 20.142,1082 2.136,1083 12.481,1084 15.644,1085 0.689,1086 24.862,1087 12.002,1088 2.812,1089 9.896,1090 22.005,1091 4.641,1092 13.556,1093 17.067,1094 0.373,1095 27.237,1096 13.021,1097 2.649,1098 9.491,1099 23.875,1100 3.926,1101 14.726,1102 18.608,1103 0.564,1104 29.67,1105 14.144,1106 2.363,1107 7.743,1108 25.753,1109 3.457,1110 15.848,1111 20.084,1112 0.314,1113 32.078,1114 15.211,1115 2.13,1116 7.134,1117 27.635,1118 3.351,1119 17.011,1120 21.613,1121 0.461,1122 34.511,1123 16.324,1124 1.988,1125 6.061,1126 29.523,1127 2.822,1128 18.157,1129 23.116,1130 0.264,1131 36.936,1132 17.416,1133 17404,1134 26475,1135 28.027,1136 43.08,1137 60.352,1138 60.373,1139 60.922,1140 60.234,1141 60.134,1142 76.559,1143 5.498,1144 172.836,1145 57.255,1146 5.698,1147 5.386,1148 6.71,1149 5.347,1150 5.295,1151 7.641,1152 1.776,1153 19.182,1154 5.127,1155 7.898,1156 1.509,1157 1.509,1158 1.523,1159 1.506,1160 1.503,1161 1.914,1162 0.137,1163 4.321,1164 1.431,1165 4.141,1166 4.192,1167 4.117,1168 3.984,1169 6.469,1170 4.009,1171 3.93,1172 3.972,1173 3.854,1174 3.854,1175 5.128,1176 3.849,1177 3.875,1178 3.905,1179 3.819,1180 3.79,1181 4.755,1182 3.794,1183 3.78,1184 3.835,1185 3.672,1186 3.625,1187 4.672,1188 3.626,1189 3.69,1190 3.748,1191 3.574,1192 3.483,1193 4.616,1194 3.498,1195 3.288,1196 3.361,1197 3.217,1198 3.085,1199 4.461,1200 3.099,1201 3.144,1202 3.213,1203 3.027,1204 2.991,1205 4.253,1206 2.997,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.997,1212 2.91,1213 0.117,1214 0.085,1215 0.173,1216 0.106,1217 0.082,1218 4.698,1219 0.116,1220 3.386,1221 0.023,1222 6.908,1223 0.291,1224 4.244,1225 0.078,1226 3.295,1227 4.641,1228 0.916,1229 11.633,1230 3.127,1231 1.951,1232 1.92,1233 2.082,1234 2.105,1235 1.426,1236 2.093,1237 1.923,1238 1.89,1239 2.02,1240 2.044,1241 1.22,1242 2.042,1243 1.822,1244 1.778,1245 1.985,1246 1.95,1247 1.14,1248 1.963,1249 1.766,1250 1.717,1251 1.93,1252 1.945,1253 1.078,1254 1.944,1255 1.58,1256 1.531,1257 1.719,1258 1.774,1259 0.878,1260 1.762,1261 1.316,1262 1.237,1263 1.514,1264 1.601,1265 0.825,1266 1.57,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.728,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.253,1284 4.727,1285 8.878,1286 6.862,1287 10.55,1294 10.515,1295 7.956,1297 5.57,1299 0.282,1300 4.755,1305 40.88,1306 98.355,1307 234.995,1308 299.315,1309 331.844,1310 341.454,1311 341.454,1312 50.29,1313 8.684,1314 79.54,1315 79.54,1316 35,1317 12.951,1318 4.524,1319 3.585,1320 46.921,1321 151,1322 189,1323 0.146,1324 244.888,1325 415.08,1326 589.286,1327 77214,1329 23.614,1330 0.675,1331 0.564,1332 23.614,1333 19.754,1334 17.259,1335 0.431,1336 0.31,1337 12.204,1338 16.574,1339 12.009,1340 9.834,1341 17.259,1342 12.387,1343 15.308,1344 0.273,1345 0.166,1346 15.308,1347 9.307,1348 13.56,1349 0.174,1350 0.09,1351 13.56,1352 7.041,1353 11.813,1354 0.11,1355 0.048,1356 11.813,1357 5.141,1358 9.932,1359 0.07,1360 0.026,1361 9.932,1362 3.73,1363 0.229,1364 108.128,1365 0.189,1366 32.061,1367 0.406,1368 192,1369 499.756,1370 210.221,1371 483.084,1372 679.79,1373 458,1374 230,1375 516.396,1376 251.054,1377 520.001,1378 771.42,1379 492,1380 5.448}
{0 CHEMBL574680,1 1.85,2 13.667,3 2.519,4 6.346,5 123.426,6 8.746,7 0.55,8 4.195,9 4.313,10 3.883,11 3.649,12 5.401,13 3.694,14 4.749,15 4.911,16 4.31,17 4.021,18 6.312,19 4.059,20 4.944,21 5.149,22 4.256,23 4.135,24 6.145,25 4.132,26 4.934,27 5.15,28 4.287,29 4.129,30 6.196,31 4.125,32 4.933,33 5.127,34 4.343,35 4.133,36 6.3,37 4.151,38 4.94,39 5.139,40 4.261,41 4.146,42 6.148,43 4.15,44 4.944,45 5.141,46 4.255,47 4.156,48 6.222,49 4.131,50 4.978,51 5.204,52 4.161,53 4.112,54 6.197,55 4.058,56 0.276,57 1.136,58 8.433,59 4.52,60 28.751,61 5.093,62 1.202,63 2.054,64 19.793,65 7.328,66 154.587,67 8.478,68 1.182,69 1.865,70 27.699,71 8.69,72 96.955,73 10.965,74 0.943,75 1.891,76 26.701,77 8.926,78 80.207,79 12.064,80 1.026,81 2.022,82 26.27,83 9.184,84 99.708,85 11.516,86 0.971,87 1.967,88 26.097,89 8.985,90 92.306,91 10.718,92 1.102,93 2.003,94 25.557,95 9.364,96 73.748,97 11.965,98 0.902,99 2.061,100 30.137,101 12.356,102 87.198,103 15.765,104 19,105 57,106 0.299,107 0.647,108 0.763,109 0.83,110 0.844,111 0.844,112 3.616,113 0.83,114 -4.34,115 -4.28,116 -4.04,119 40.4,125 5,132 1,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 8,178 2,179 1,180 3,183 4,186 2,187 5,190 1,192 3,195 2,198 5,199 9,204 4,207 1,211 2,212 9,215 1,217 3,220 2,224 7,227 2,229 1,232 4,236 3,237 5,245 4,249 2,250 4,253 4,255 1,258 3,263 3,266 1,271 1,275 2670,276 24.187,277 24.187,278 24.187,279 24.187,280 24.187,281 21.523,282 27.517,283 14.345,284 25.072,285 19.845,286 19.845,287 19.845,288 19.845,289 19.845,290 15.773,291 37.463,292 6.933,293 21.368,294 3.983,295 1.829,296 1.11,297 0.693,298 0.61,299 0.61,300 4.321,305 1,306 1077,307 4.062,310 90.778,311 460.123,314 159.988,318 2.167,319 55.767,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 82.5,331 492,332 4.681,333 4.269,334 6.856,335 4.221,336 3.288,337 4.629,338 3.02,339 11.454,340 3.093,341 4.198,342 3.562,343 6.458,344 3.922,345 3.09,346 3.794,347 1.656,348 10.182,349 2.739,350 4.111,351 3.342,352 6.107,353 3.767,354 2.796,355 3.48,356 0.86,357 8.937,358 2.563,359 3.971,360 2.893,361 6.039,362 3.605,363 2.643,364 3.352,365 0.8,366 8.65,367 2.53,368 3.833,369 2.788,370 5.567,371 3.525,372 2.621,373 3.152,374 0.247,375 7.634,376 2.318,377 3.757,378 2.548,379 5.323,380 3.362,381 2.399,382 3.013,384 6.925,385 2.298,386 3.405,387 2.409,388 5.091,389 2.95,390 1.975,391 2.655,393 5.74,394 1.923,395 3.146,396 2.31,397 4.678,398 2.86,399 1.92,400 2.237,402 5.114,403 1.78,404 2.968,405 1.868,406 4.412,407 2.45,408 1.503,409 2.176,411 4.256,412 1.421,413 2.843,414 1.535,415 4.341,416 2.345,417 1.442,418 1.974,420 3.843,421 1.321,422 2.708,423 1.519,424 3.762,425 2.335,426 1.374,427 1.779,428 2.995,429 1.286,430 2.5,431 1.287,432 3.569,433 2.064,434 1.152,435 1.5,436 2.899,437 1.044,438 2.5,439 1.256,440 3.433,441 2,442 1,443 1.5,445 2.275,446 1,447 2.466,448 1,449 3.414,450 1.956,451 1,452 1.458,454 2.136,455 0.953,456 2.082,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.224,466 0.451,467 0.99,468 0.027,469 48.5,470 1.347,471 23,472 0.639,473 25.5,474 0.708,475 29.185,476 0.811,477 39.576,478 0.694,479 42.402,480 1.178,481 9.901,482 0.275,483 7.454,484 0.207,485 0.073,486 0.031,487 0.296,490 3,493 0.67,494 1.204,495 0.62,496 1.156,497 0.576,498 0.938,499 0.65,500 0.861,501 0.777,502 0.931,503 0.419,504 0.909,505 0.912,506 0.827,507 1.039,508 0.88,509 0.841,510 0.97,511 0.587,512 0.795,513 0.81,514 0.973,515 0.532,516 0.968,517 0.799,518 0.969,519 0.819,520 1.006,521 0.834,522 0.945,523 0.981,524 0.97,525 1.055,526 0.997,527 0.869,528 1.02,529 0.658,530 0.8,531 1.028,532 1.093,533 0.635,534 1.181,535 0.646,536 1.112,537 0.841,538 1.335,539 0.701,540 1.238,541 8,542 0.269,543 3.333,544 2.194,545 1.879,546 1.73,547 0.95,548 0.583,549 0.493,550 0.334,551 20597,552 71420,553 2.113,554 36.8,556 16,558 3,559 2,564 1.775,565 1.991,566 3.665,567 0.286,569 1,573 105.439,574 1.85,575 4.003,576 4.723,577 5.14,578 5.223,579 5.223,580 3.069,581 4.628,582 5.136,583 3.916,584 2466.83,585 9.037,586 39881,591 332.475,592 1.463,593 5.103,594 0.2,595 0.009,596 0.058,597 0.04,598 0.034,599 0.029,600 0.017,601 0.011,602 0.011,603 0.009,604 0.418,605 0.17,606 0.75,607 0.783,608 197.219,609 -0.063,610 -0.204,611 0.041,612 -0.126,613 -0.075,614 -0.032,615 0.247,616 0.168,617 0.053,618 0.038,619 0.36,620 -0.017,621 -0.088,622 0.073,623 -0.131,624 0.068,625 -0.107,626 -0.019,627 0.072,628 0.028,629 0.084,630 -0.032,631 0.071,632 0.014,633 0.027,634 -0.068,635 0.085,636 -0.03,637 0.033,638 0.026,639 -0.184,640 -0.057,641 -0.168,642 -0.038,643 -0.111,644 -0.068,645 0.113,646 0.117,647 -0.147,648 -0.113,649 0.033,650 -0.209,651 0.134,652 -0.222,653 0.149,654 -0.268,655 0.084,656 -0.127,657 5.701,658 5.233,659 0.75,660 46.25,661 1.036,662 1.153,663 3.112,664 9.683,665 0.664,666 3.714,667 4.06,668 4.29,669 4.605,670 4.868,671 4.997,672 5.231,673 5.394,674 5.509,675 5.642,676 8.139,677 0.666,678 498.52,679 3.714,680 5.273,681 6.116,682 7.009,683 7.874,684 8.775,685 9.654,686 10.559,687 11.447,688 12.356,689 14,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 57,733 23,734 1,735 40,737 61,738 23,739 16,740 2,741 4,746 5,747 6,751 1,752 1,757 1,761 17,762 6,766 1,771 1,775 1,779 3,781 21,782 12,783 2,784 13,790 8,794 0.8,795 2,803 1,805 1,806 1,811 1,812 4,815 1,839 1,840 4,846 3,848 36,854 5,855 2,856 1,859 1,860 1,869 3,870 3.5,873 1,874 1,877 18.083,878 10.212,879 7.681,880 3.246,881 4.003,882 1.476,883 1.012,884 6.835,885 12.407,886 3.97,887 4.577,888 5.144,889 5.787,890 6.355,891 6.729,892 7.243,893 7.698,894 8.03,895 8.441,896 0.889,897 55,898 13.769,900 6.403,901 8.155,902 24.499,904 20.021,905 2.655,906 95.583,910 223.651,911 129.18,912 107.942,914 36.145,915 44.88,917 129.18,918 259.796,919 152.822,921 51.523,922 56.857,923 140.193,924 90.523,925 6.604,926 188.338,927 7.76,928 223.651,929 237.122,930 81.025,933 225.979,934 70.025,935 11,937 89.917,938 77.858,939 67.02,941 268.531,942 144.087,943 129.18,946 231.41,947 37.421,948 88.901,949 36.022,950 148.045,951 223.651,952 188.967,953 129.18,955 0.585,956 0.316,957 0.178,958 0.102,959 28,960 12,961 0.082,962 5,963 1,964 1.074,965 4.652,966 351.106,967 0.074,968 27,969 173.362,974 24.138,975 10.194,976 5.819,977 0.534,978 187.191,979 14.589,980 16.954,984 2.379,985 0.836,986 36.022,987 541.798,988 52,993 12.233,997 -0.445,999 59.076,1000 65.746,1001 0.317,1002 0.686,1003 0.81,1004 0.881,1005 0.895,1006 0.895,1007 5.223,1008 1.92,1009 6.125,1010 5.74,1011 4.745,1012 5.265,1013 3.087,1014 6.952,1015 4.607,1016 6.438,1017 1.503,1018 7.689,1019 5.114,1020 4.443,1021 5.103,1022 3.192,1023 7.997,1024 4.164,1025 7.754,1026 1.442,1027 9.358,1028 4.256,1029 6.389,1030 7.47,1031 4.666,1032 11.025,1033 6.101,1034 9.103,1035 1.374,1036 11.089,1037 3.843,1038 6.878,1039 8.13,1040 5.505,1041 12.864,1042 6.45,1043 10.484,1044 1.152,1045 12.86,1046 2.995,1047 8.329,1048 10.001,1049 6.696,1050 15.46,1051 7.878,1052 11.887,1053 1,1054 14.657,1055 2.899,1056 9.171,1057 11.077,1058 7.734,1059 17.617,1060 8.6,1061 13.309,1062 1,1063 16.474,1064 2.275,1065 10.43,1066 12.738,1067 8.859,1068 20.077,1069 9.817,1070 3.288,1071 1,1072 18.306,1073 2.136,1074 11.438,1075 14.034,1076 9.948,1077 22.371,1078 10.726,1079 3.09,1080 11.454,1081 20.148,1082 2.136,1083 12.624,1084 15.606,1085 11.057,1086 24.791,1087 11.858,1088 2.796,1089 10.182,1090 22,1091 4.629,1092 13.71,1093 17.018,1094 12.158,1095 27.148,1096 12.861,1097 2.643,1098 8.937,1099 23.86,1100 3.794,1101 14.871,1102 18.556,1103 13.264,1104 29.559,1105 13.965,1106 2.621,1107 8.65,1108 25.726,1109 3.48,1110 15.996,1111 20.026,1112 14.368,1113 31.948,1114 15.017,1115 2.399,1116 7.634,1117 27.597,1118 3.352,1119 17.153,1120 21.554,1121 15.474,1122 34.361,1123 16.115,1124 1.975,1125 6.925,1126 29.474,1127 3.152,1128 18.298,1129 23.054,1130 16.579,1131 36.767,1132 17.194,1133 19313,1134 36223,1135 26.929,1136 37.858,1137 60.857,1138 61.059,1139 60.546,1140 60.391,1141 60.169,1142 77.612,1143 13.166,1144 174.951,1145 56.037,1146 5.681,1147 6.269,1148 6.658,1149 5.325,1150 5.288,1151 7.629,1152 4.53,1153 18.909,1154 5.093,1155 16.472,1156 1.521,1157 1.526,1158 1.514,1159 1.51,1160 1.504,1161 1.94,1162 0.329,1163 4.374,1164 1.401,1165 4.127,1166 4.178,1167 4.109,1168 3.97,1169 8.513,1170 3.996,1171 3.911,1172 3.953,1173 3.86,1174 3.796,1175 7.999,1176 3.807,1177 3.847,1178 3.887,1179 3.789,1180 3.739,1181 7.999,1182 3.747,1183 3.743,1184 3.804,1185 3.643,1186 3.505,1187 7.431,1188 3.526,1189 3.534,1190 3.586,1191 3.508,1192 3.254,1193 5.132,1194 3.3,1195 3.413,1196 3.459,1197 3.373,1198 3.138,1199 4.908,1200 3.187,1201 3.166,1202 3.23,1203 3.139,1204 2.941,1205 4.749,1206 2.963,1207 3.111,1208 3.206,1209 2.885,1210 2.926,1211 4.623,1212 2.91,1213 0.117,1214 0.107,1215 0.171,1216 0.106,1217 0.082,1218 4.681,1219 0.116,1220 4.269,1221 0.076,1222 6.856,1223 0.286,1224 4.221,1225 0.077,1226 3.288,1227 4.629,1228 3.02,1229 11.454,1230 3.093,1231 1.951,1232 1.921,1233 2.03,1234 2.089,1235 1.223,1236 2.068,1237 1.825,1238 1.784,1239 1.941,1240 1.992,1241 1.108,1242 1.978,1243 1.791,1244 1.752,1245 1.927,1246 1.941,1247 0.973,1248 1.941,1249 1.62,1250 1.563,1251 1.765,1252 1.889,1253 0.944,1254 1.85,1255 1.486,1256 1.424,1257 1.631,1258 1.738,1259 0.825,1260 1.708,1261 1.266,1262 1.221,1263 1.513,1264 1.56,1265 0.782,1266 1.515,1267 1.153,1268 1.064,1269 1.392,1270 1.401,1271 0.364,1272 1.429,1273 1.06,1274 1.003,1275 1.201,1276 1.376,1277 0.235,1278 1.318,1279 4.394,1281 5.733,1282 2.398,1283 7.253,1284 4.727,1285 8.856,1286 6.843,1287 10.505,1291 39.412,1295 0.804,1296 5.381,1297 5.404,1300 1.954,1301 -4.451,1305 37.965,1306 105.439,1307 228.197,1308 269.191,1309 292.965,1310 297.72,1311 297.72,1312 71.164,1313 8.404,1314 110.09,1315 110.09,1316 29,1317 12.877,1318 4.585,1319 3.7,1320 54.474,1321 171,1322 204,1323 0.15,1324 228.167,1325 395.81,1326 548.488,1327 56997,1328 5.3,1329 25.123,1330 0.698,1331 0.524,1332 22.623,1333 18.865,1334 17.354,1335 0.434,1336 0.277,1337 10.793,1338 16.262,1339 10.708,1340 8.736,1341 16.208,1342 11.071,1343 16.585,1344 0.291,1345 0.141,1346 14.228,1347 8.023,1348 12.61,1349 0.175,1350 0.076,1351 12.26,1352 5.436,1353 11.135,1354 0.112,1355 0.038,1356 10.602,1357 3.804,1358 9.23,1359 0.072,1360 0.02,1361 8.664,1362 2.56,1363 0.239,1364 111.69,1365 0.193,1366 33.137,1367 0.406,1368 194,1369 810.341,1370 232.595,1371 692.863,1372 917.69,1373 646,1374 226,1375 657.157,1376 258.102,1377 637.841,1378 951.51,1379 600,1380 8}
{0 CHEMBL574738,1 1.737,2 17.421,3 4.513,4 20.37,5 141.564,6 7.789,7 0.439,8 4.326,9 4.457,10 3.911,11 3.768,12 5.463,13 3.782,14 4.887,15 5.079,16 4.318,17 4.137,18 6.358,19 4.135,20 5.094,21 5.307,22 4.297,23 4.305,24 6.174,25 4.264,26 5.208,27 5.442,28 4.301,29 4.321,30 6.33,31 4.256,32 5.246,33 5.511,34 4.289,35 4.258,36 6.458,37 4.203,38 5.069,39 5.294,40 4.205,41 4.184,42 6.242,43 4.15,44 5.071,45 5.299,46 4.255,47 4.121,48 6.562,49 4.093,50 4.978,51 5.224,52 4.019,53 4.011,54 6.218,55 3.971,56 0.176,57 1.234,58 13.199,59 5.62,60 23.129,61 7.372,62 1.167,63 2.182,64 28.269,65 9.026,66 151.997,67 12.315,68 0.725,69 2.117,70 35.087,71 11.784,72 62.487,73 16.266,74 0.866,75 2.327,76 41.627,77 14.262,78 92.131,79 19.458,80 1.48,81 2.318,82 47.733,83 13.322,84 145.555,85 18.829,86 0.918,87 2.16,88 36.82,89 11.876,90 115.325,91 15.218,92 1.561,93 2.233,94 38.593,95 11.753,96 231.729,97 14.917,98 1.258,99 1.928,100 36.067,101 10.065,102 132.792,103 12.838,104 46,105 57,106 0.274,107 0.592,108 0.742,109 0.819,110 0.848,111 0.853,112 3.667,113 0.895,114 -4.94,115 -4.85,116 -4.54,119 38.2,120 1,124 1,125 6,132 1,142 8,143 2,144 3,147 2,148 1,159 1,172 6,174 2,175 7,178 3,179 1,180 5,183 6,186 1,187 4,192 4,195 4,198 1,199 8,202 2,204 5,207 2,212 8,215 1,217 4,220 2,224 5,227 1,229 3,232 4,236 1,237 4,240 2,242 3,245 9,249 1,253 1,258 8,262 1,263 3,266 3,267 1,268 1,271 4,275 3096,276 25.347,277 25.347,278 25.347,279 25.347,280 25.347,281 23.06,282 41.64,283 14.877,284 26.304,285 20.159,286 20.159,287 20.159,288 20.159,289 20.159,290 16.613,291 62.867,292 7,293 21.699,294 4.35,295 2.334,296 1.386,297 0.897,298 0.71,299 0.68,300 4.36,305 1,306 1412,307 4.416,311 608.584,318 2.729,319 56.162,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 86,331 662,332 4.561,333 4.472,334 7.254,335 4.275,336 3.388,337 4.067,338 3.825,339 12.281,340 3.062,341 4.14,342 3.562,343 5.74,344 3.721,345 2.784,346 3.737,347 1.656,348 8.044,349 2.623,350 4.012,351 3.092,352 5.697,353 3.617,354 2.697,355 3.587,356 0.916,357 7.964,358 2.491,359 3.865,360 3.075,361 5.562,362 3.594,363 2.659,364 3.156,365 0.86,366 7.619,367 2.442,368 3.715,369 2.809,370 5.437,371 3.474,372 2.53,373 2.903,374 0.8,375 7.218,376 2.372,377 3.6,378 2.672,379 5.335,380 3.299,381 2.367,382 2.773,383 0.4,384 6.87,385 2.162,386 3.454,387 2.53,388 5.2,389 3.165,390 2.232,391 2.597,392 0.247,393 6.562,394 2.078,395 3.305,396 2.43,397 5.027,398 2.952,399 2.02,400 2.506,401 0.172,402 5.933,403 1.869,404 3.169,405 2.206,406 4.816,407 2.819,408 1.887,409 2.354,411 5.429,412 1.747,413 3.034,414 2.06,415 4.577,416 2.689,417 1.709,418 2.069,420 4.788,421 1.655,422 2.675,423 1.38,424 4.103,425 2.124,426 1.211,427 1.754,428 3.204,429 1.103,430 2.582,431 1.281,432 3.497,433 2.118,434 1.156,435 1.615,436 2.634,437 1.094,438 2.5,439 1.146,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2,448 1,449 3.414,450 1.967,451 1,452 1,454 2.275,455 0.965,456 1.682,457 0.859,458 3.166,459 1.591,460 0.624,461 0.643,463 1.238,464 0.601,465 17.324,466 0.456,467 1.03,468 0.027,469 47.5,470 1.25,471 21.5,472 0.566,473 26,474 0.684,475 34.09,476 0.897,477 43.276,478 0.636,479 42.485,480 1.118,481 9.766,482 0.257,483 8.462,484 0.223,485 0.126,486 0.029,487 0.277,490 3,493 0.688,494 1.291,495 0.725,496 1.233,497 0.58,498 1.035,499 0.575,500 0.807,501 0.789,502 0.917,503 0.354,504 0.904,505 0.818,506 0.936,507 0.947,508 1.056,509 0.582,510 1.037,511 0.811,512 1.118,513 0.907,514 1.206,515 0.771,516 1.123,517 1.006,518 0.839,519 0.9,520 0.82,521 1.163,522 0.83,523 1.22,524 1.147,525 1.04,526 1.036,527 1.267,528 0.997,529 1.171,530 1.257,531 1.047,532 1.061,533 1.38,534 1.032,535 1.496,536 1.056,537 1.243,538 0.869,539 1.716,540 0.951,541 10,542 0.223,543 3.333,544 2.563,545 2.258,546 1.354,547 1.153,548 0.5,549 0.608,550 0.365,551 25853,552 77109,553 2.031,554 44.1,556 23,558 1,559 3,561 3,564 1.783,565 1.892,566 4.02,567 0.843,573 118.123,574 1.737,575 3.754,576 4.702,577 5.19,578 5.378,579 5.407,580 3.527,581 4.774,582 5.215,583 4.231,584 2974.12,585 9.16,586 53167,591 413.947,592 1.538,593 5.168,594 0.244,595 0.006,596 0.058,597 0.045,598 0.042,599 0.026,600 0.023,601 0.01,602 0.015,603 0.009,604 0.478,605 0.17,606 0.88,607 0.848,608 216.585,609 -0.064,610 -0.229,611 0.039,612 -0.12,613 -0.075,614 -0.03,615 0.32,616 0.252,617 0.111,618 0.081,619 0.427,620 0.047,621 -0.095,622 -0.071,623 -0.059,624 -0.052,625 0.003,626 -0.04,627 0.013,628 -0.206,629 0.036,630 -0.179,631 0.025,632 -0.093,633 0.051,634 0.131,635 0.135,636 0.146,637 -0.023,638 0.16,639 -0.161,640 -0.104,641 -0.058,642 -0.018,643 -0.154,644 -0.007,645 0.178,646 0.014,647 0.006,648 -0.032,649 0.156,650 -0.061,651 -0.161,652 0.177,653 -0.18,654 0.115,655 -0.251,656 -0.002,657 5.789,658 5.842,659 0.632,660 55.679,661 1.02,662 1.152,663 3.712,664 13.776,665 0.642,666 3.738,667 4.06,668 4.248,669 4.477,670 4.7,671 4.71,672 4.844,673 4.883,674 5.017,675 5.063,676 9.769,677 0.626,678 529.63,679 3.738,680 5.283,681 6.107,682 6.978,683 7.818,684 8.69,685 9.538,686 10.41,687 11.263,688 12.135,689 10.3,692 2,694 1,696 2,699 2,704 9,705 2,709 7,711 18,724 1,729 1,731 68,733 19,734 2,735 41,737 71,738 26,739 16,740 5,741 7,746 4,747 4,751 1,752 2,757 1,761 17,762 9,766 1,771 1,775 1,779 3,781 30,782 12,783 3,784 12,790 7,794 1,795 2,806 1,812 4,836 2,840 4,844 2,846 3,848 38,854 6,855 3,856 1,859 2,860 1,869 3,870 2.9,873 1,875 1,877 20.083,878 12.562,879 8.361,880 4.045,881 3.2,882 1.394,883 0.975,884 9.182,885 11.314,886 3.951,887 4.494,888 4.954,889 5.474,890 5.978,891 6.063,892 6.394,893 6.635,894 6.922,895 7.211,896 0.917,897 57,898 14.605,900 6.626,901 8.068,902 26.208,904 20.954,905 2.568,906 97.583,910 317.82,911 150.59,912 93.852,914 36.145,915 44.88,917 150.59,918 353.965,919 138.732,920 17.222,921 48.656,922 75.81,923 88.498,924 87.876,925 11.418,926 306.049,927 7.76,928 317.82,929 244.442,930 81.025,933 282.506,934 116.338,937 80.108,938 112.753,939 51.582,941 362.7,942 129.997,943 150.59,946 325.579,947 41.181,948 107.899,949 54.032,950 114.596,951 317.82,952 174.877,953 150.59,955 0.581,956 0.324,957 0.168,958 0.095,959 25,960 12,961 0.113,962 8,964 1,965 4.884,966 349.587,968 24,969 186.666,974 27.804,975 12.549,976 7.892,978 174.877,979 13.387,980 8.045,984 1.357,986 54.032,987 643.287,988 51,993 12.479,997 -0.662,999 69.392,1000 78.324,1001 0.285,1002 0.617,1003 0.772,1004 0.853,1005 0.883,1006 0.888,1007 5.201,1008 2.02,1009 6.111,1010 6.562,1011 4.745,1012 5.182,1013 3.398,1014 6.905,1015 4.606,1016 6.395,1017 1.887,1018 7.664,1019 5.933,1020 4.443,1021 4.966,1022 3.963,1023 7.934,1024 4.147,1025 7.694,1026 1.709,1027 9.321,1028 5.429,1029 6.368,1030 7.272,1031 5.475,1032 10.925,1033 6.074,1034 9.023,1035 1.211,1036 11.042,1037 4.788,1038 6.836,1039 7.782,1040 6.702,1041 12.807,1042 6.371,1043 10.379,1044 1.156,1045 12.809,1046 3.204,1047 8.278,1048 9.63,1049 8.066,1050 15.421,1051 7.8,1052 11.756,1053 1,1054 14.613,1055 2.634,1056 9.11,1057 10.498,1058 9.391,1059 17.684,1060 8.47,1061 13.149,1062 1,1063 16.447,1064 2.275,1065 10.372,1066 12.138,1067 10.736,1068 20.21,1069 9.69,1070 3.388,1071 0.624,1072 18.306,1073 2.275,1074 11.389,1075 13.21,1076 12.075,1077 22.628,1078 10.559,1079 2.784,1080 12.281,1081 20.189,1082 1.238,1083 12.59,1084 14.737,1085 13.417,1086 25.136,1087 11.691,1088 2.697,1089 8.044,1090 22.09,1091 4.067,1092 13.701,1093 15.931,1094 14.758,1095 27.611,1096 12.669,1097 2.659,1098 7.964,1099 24.007,1100 3.737,1101 14.889,1102 17.394,1103 16.1,1104 30.118,1105 13.77,1106 2.53,1107 7.619,1108 25.938,1109 3.587,1110 16.048,1111 18.663,1112 17.441,1113 32.614,1114 14.807,1115 2.367,1116 7.218,1117 27.88,1118 3.156,1119 17.24,1120 20.09,1121 18.783,1122 35.121,1123 15.901,1124 2.232,1125 6.87,1126 29.831,1127 2.903,1128 18.425,1129 21.404,1130 20.124,1131 37.624,1132 16.97,1133 24738,1134 43069,1135 26.929,1136 43.66,1137 60.919,1138 60.818,1139 61.764,1140 60.732,1141 60.475,1142 74.736,1143 17.755,1144 172.381,1145 56.332,1146 5.561,1147 6.472,1148 6.847,1149 5.363,1150 5.388,1151 7.067,1152 5.335,1153 19.807,1154 5.062,1155 21.185,1156 1.486,1157 1.483,1158 1.506,1159 1.481,1160 1.475,1161 1.823,1162 0.433,1163 4.204,1164 1.374,1165 4.013,1166 4.052,1167 3.967,1168 3.912,1169 8.513,1170 3.918,1171 3.925,1172 3.956,1173 3.881,1174 3.827,1175 7.999,1176 3.832,1177 3.821,1178 3.887,1179 3.758,1180 3.636,1181 7.999,1182 3.661,1183 3.797,1184 3.852,1185 3.701,1186 3.616,1187 7.431,1188 3.628,1189 3.484,1190 3.547,1191 3.448,1192 3.25,1193 5.079,1194 3.265,1195 3.412,1196 3.484,1197 3.304,1198 3.155,1199 4.784,1200 3.182,1201 3.302,1202 3.399,1203 3.213,1204 3.016,1205 4.697,1206 3.043,1207 3.268,1208 3.324,1209 3.114,1210 2.978,1211 4.378,1212 3.009,1213 0.111,1214 0.109,1215 0.177,1216 0.104,1217 0.083,1218 4.561,1219 0.099,1220 4.472,1221 0.093,1222 7.254,1223 0.3,1224 4.275,1225 0.075,1226 3.388,1227 4.067,1228 3.825,1229 12.281,1230 3.062,1231 1.944,1232 1.917,1233 2.053,1234 2.075,1235 1.341,1236 2.07,1237 1.885,1238 1.861,1239 1.989,1240 2.021,1241 1.168,1242 2.008,1243 1.768,1244 1.697,1245 1.959,1246 1.971,1247 1.062,1248 1.967,1249 1.725,1250 1.676,1251 1.833,1252 1.919,1253 0.937,1254 1.903,1255 1.436,1256 1.352,1257 1.75,1258 1.678,1259 0.825,1260 1.702,1261 1.298,1262 1.246,1263 1.582,1264 1.606,1265 0.824,1266 1.582,1267 1.248,1268 1.144,1269 1.513,1270 1.551,1271 0.653,1272 1.541,1273 1.153,1274 1.064,1275 1.464,1276 1.416,1277 0.584,1278 1.429,1279 4.419,1281 5.74,1283 7.242,1285 8.823,1287 10.446,1289 3.801,1291 41.525,1295 4.244,1296 7.99,1297 5.666,1300 4.291,1301 -4.539,1305 42.578,1306 118.123,1307 255.24,1308 319.709,1309 352.928,1310 365.683,1311 367.683,1312 93.97,1313 8.114,1314 94.65,1315 94.65,1316 24,1317 12.681,1318 4.322,1319 3.459,1320 68.063,1321 224,1322 226,1323 0.144,1324 260.471,1325 462.61,1326 627.309,1327 45199,1328 4.4,1329 27.123,1330 0.714,1331 0.557,1332 24.623,1333 21.178,1334 18.228,1335 0.445,1336 0.298,1337 11.966,1338 17.174,1339 11.738,1340 9.711,1341 17.017,1342 12.238,1343 16.948,1344 0.297,1345 0.154,1346 14.953,1347 8.777,1348 12.967,1349 0.188,1350 0.09,1351 12.208,1352 6.212,1353 10.577,1354 0.122,1355 0.047,1356 9.834,1357 4.113,1358 8.658,1359 0.079,1360 0.026,1361 7.955,1362 2.82,1363 0.237,1364 116.519,1365 0.193,1366 35.406,1367 0.369,1368 196,1369 777.383,1370 232.926,1371 664.428,1372 874.93,1373 618,1374 224,1375 620.98,1376 253.502,1377 605.604,1378 899.67,1379 567,1380 5}
{0 CHEMBL574905,1 1.861,2 12.943,3 3.012,4 9.073,5 117.286,6 8.509,7 0.41,8 4.21,9 4.331,10 3.871,11 3.644,12 5.366,13 3.685,14 4.818,15 4.989,16 4.327,17 4.053,18 6.334,19 4.085,20 5.055,21 5.275,22 4.262,23 4.174,24 6.213,25 4.157,26 5.004,27 5.237,28 4.265,29 4.146,30 6.214,31 4.128,32 4.946,33 5.145,34 4.352,35 4.134,36 6.351,37 4.148,38 4.956,39 5.156,40 4.277,41 4.176,42 6.136,43 4.177,44 4.998,45 5.192,46 4.324,47 4.202,48 6.263,49 4.178,50 5.075,51 5.321,52 4.2,53 4.134,54 6.287,55 4.088,56 0.307,57 1.195,58 9.482,59 4.897,60 38.84,61 5.736,62 1.308,63 2.132,64 23.164,65 8.291,66 180.296,67 10.053,68 1.502,69 1.897,70 34.561,71 9.757,72 139.209,73 13.302,74 1.152,75 1.915,76 31.689,77 9.492,78 112.92,79 13.499,80 1.178,81 2.056,82 28.345,83 9.356,84 134.216,85 12.522,86 1.034,87 2.057,88 27.379,89 9.232,90 101.31,91 11.496,92 1.115,93 2.135,94 27.552,95 10.295,96 75.744,97 13.776,98 1.212,99 2.202,100 36.382,101 12.568,102 122.143,103 16.282,104 37,105 57,106 0.303,107 0.651,108 0.788,109 0.833,110 0.833,111 0.833,112 3.589,113 0.862,114 -4.92,115 -4.83,116 -4.53,119 37.9,121 2,125 5,127 2,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 2,183 4,186 2,187 6,192 2,195 2,198 5,199 8,204 3,207 1,211 1,212 10,217 2,220 4,224 7,227 2,229 1,232 2,236 3,237 9,245 2,249 2,250 2,253 4,255 1,258 4,263 2,266 1,271 4,275 2443,276 23.384,277 23.384,278 23.384,279 23.384,280 23.384,281 21.471,282 27.235,283 13.686,284 24.223,285 19.311,286 19.311,287 19.311,288 19.311,289 19.311,290 16.257,291 35.354,292 6.583,293 20.834,294 3.997,295 1.855,296 1.013,297 0.737,298 0.737,299 0.737,300 4.292,305 1,306 993,307 4.359,310 164.191,311 295.485,312 107.042,314 149.293,318 2.072,319 62.138,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 81.5,331 453,332 4.682,333 4.269,334 6.86,335 4.228,336 3.294,337 4.629,338 3.02,339 11.474,340 3.099,341 4.198,342 3.546,343 6.462,344 3.936,345 3.1,346 3.793,347 1.656,348 10.198,349 2.74,350 4.117,351 3.396,352 6.12,353 3.808,354 2.868,355 3.363,356 0.86,357 9.031,358 2.679,359 3.932,360 3.14,361 6.086,362 3.72,363 2.771,364 3.171,365 0.8,366 8.878,367 2.482,368 3.831,369 2.789,370 5.638,371 3.49,372 2.53,373 3.032,374 0.247,375 7.683,376 2.411,377 3.621,378 2.702,379 5.471,380 3.33,381 2.415,382 2.751,384 7.343,385 2.175,386 3.467,387 2.414,388 4.984,389 3.069,390 2.092,391 2.699,393 5.638,394 2.031,395 2.966,396 2.168,397 4.879,398 2.839,399 1.879,400 2.169,402 5.526,403 1.794,404 2.912,405 2.093,406 4.827,407 2.63,408 1.692,409 1.994,411 5.39,412 1.575,413 2.879,414 1.917,415 4.427,416 2.458,417 1.514,418 1.879,420 4.294,421 1.425,422 2.621,423 1.535,424 4.273,425 2.282,426 1.35,427 1.666,428 3.573,429 1.238,430 2.5,431 1.292,432 3.667,433 2.135,434 1.201,435 1.5,436 2.505,437 1.118,438 2.44,439 1.219,440 3.414,441 2,442 1,443 1.42,445 2.275,446 1,447 2.184,448 1,449 3.369,450 1.783,451 0.845,452 1.09,454 2.201,455 0.789,456 1.694,457 0.965,458 3.271,459 1.582,460 0.668,461 0.685,463 1.655,464 0.605,465 15.61,466 0.446,467 1.058,468 0.03,469 41.25,470 1.179,471 16.5,472 0.471,473 24.75,474 0.707,475 32.801,476 0.937,477 40.19,478 0.693,479 37.15,480 1.061,481 8.198,482 0.234,483 8.588,484 0.245,485 0.095,486 0.032,487 0.34,488 1,490 3,493 0.635,494 1.178,495 0.628,496 1.214,497 0.556,498 0.994,499 0.65,500 0.863,501 0.785,502 1.008,503 0.482,504 0.968,505 0.881,506 0.763,507 1.017,508 0.864,509 0.756,510 0.968,511 0.596,512 0.709,513 0.819,514 0.891,515 0.544,516 0.927,517 0.659,518 0.927,519 0.722,520 0.985,521 0.659,522 0.913,523 0.886,524 0.924,525 1.017,526 0.97,527 0.749,528 1.005,529 0.552,530 0.917,531 0.922,532 1.257,533 0.524,534 1.268,535 0.72,536 1.007,537 0.847,538 1.154,539 0.701,540 1.094,541 9,542 0.375,543 3.333,544 2.229,545 1.843,546 1.612,547 0.809,548 0.788,549 0.538,550 0.372,551 17779,552 64065,553 2.099,554 39.7,556 16,558 1,559 2,561 4,564 1.772,565 1.953,566 3.543,567 0.304,569 1,573 107.962,574 1.861,575 4.003,576 4.845,577 5.121,578 5.121,579 5.121,580 3.043,581 4.651,582 5.091,583 3.807,584 2264.95,585 8.97,586 34975.1,591 339.763,592 1.566,593 5.051,594 0.231,595 0.011,596 0.058,597 0.041,598 0.034,599 0.027,600 0.014,601 0.014,602 0.011,603 0.009,604 0.453,605 0.17,606 0.75,607 1.459,608 188.301,609 -0.053,610 -0.169,611 0.04,612 -0.106,613 -0.053,614 -0.019,615 0.194,616 0.151,617 0.049,618 0.006,619 0.271,620 -0.027,621 -0.076,622 0.069,623 -0.096,624 0.091,625 -0.073,626 0.01,627 0.039,628 0.061,629 0.072,630 0.045,631 0.037,632 0.066,633 0.099,634 -0.044,635 0.156,636 0.016,637 0.105,638 0.082,639 -0.17,640 -0.011,641 -0.178,642 0.012,643 -0.102,644 -0.044,645 0.132,646 -0.013,647 -0.089,648 -0.236,649 0.056,650 -0.269,651 0.057,652 -0.145,653 0.127,654 -0.138,655 0.052,656 -0.023,657 5.71,658 5.171,659 0.657,660 43.84,661 1.039,662 1.162,663 3.692,664 13.634,665 0.643,666 3.689,667 4.06,668 4.304,669 4.644,670 4.913,671 5.112,672 5.352,673 5.537,674 5.714,675 5.892,676 7.555,677 0.644,678 493.52,679 3.689,680 5.263,681 6.116,682 7.024,683 7.901,684 8.815,685 9.708,686 10.625,687 11.527,688 12.448,689 12.1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 58,733 17,734 1,735 39,737 62,738 22,739 11,740 2,741 4,744 1,746 5,747 7,751 1,752 2,755 4,757 1,758 4,761 12,762 10,766 1,771 1,775 1,779 4,781 23,782 12,783 2,784 13,790 7,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,846 4,848 35,854 7,855 2,856 1,858 2,859 1,860 1,869 4,870 3.4,873 1,874 1,877 17.917,878 10.238,879 7.431,880 3.469,881 3.133,882 1.37,883 1.005,884 6.625,885 11.611,886 3.892,887 4.486,888 5.041,889 5.685,890 6.257,891 6.709,892 7.241,893 7.712,894 8.079,895 8.493,896 1,897 54,898 13.497,900 6.412,901 8.26,902 24.038,904 20.306,905 2.76,906 96.583,910 247.193,911 95.836,912 91.156,914 36.145,915 59.84,917 95.836,918 283.338,919 150.997,921 57.983,922 37.905,923 99.865,924 69.672,925 21.564,926 235.422,927 7.76,928 247.193,929 186.992,930 95.985,933 217.397,934 117.11,935 11,937 78.282,938 56.148,939 50.234,941 307.034,942 127.301,943 95.836,946 254.953,947 41.124,948 51.853,949 36.022,950 146.219,951 247.193,952 187.142,953 95.836,955 0.589,956 0.317,957 0.177,958 0.101,959 29,960 13,961 0.081,962 5,963 3,964 1.217,965 4.493,966 346.451,967 0.261,968 22,969 164.77,974 23.927,975 9.691,976 5.401,977 0.538,978 185.365,979 7.909,980 13.087,984 1.771,985 0.838,986 36.022,987 530.171,988 48,993 11.742,997 -0.548,999 60.254,1000 67.418,1001 0.318,1002 0.683,1003 0.827,1004 0.874,1005 0.874,1006 0.874,1007 5.176,1008 1.879,1009 6.142,1010 5.638,1011 4.745,1012 5.173,1013 3.087,1014 6.991,1015 4.603,1016 6.389,1017 1.692,1018 7.722,1019 5.526,1020 4.511,1021 5.094,1022 3.192,1023 8.05,1024 4.227,1025 7.711,1026 1.514,1027 9.401,1028 5.39,1029 6.415,1030 7.36,1031 4.666,1032 11.08,1033 6.12,1034 9.064,1035 1.35,1036 11.137,1037 4.294,1038 6.948,1039 8.097,1040 5.505,1041 12.909,1042 6.51,1043 10.449,1044 1.201,1045 12.909,1046 3.573,1047 8.371,1048 9.903,1049 6.696,1050 15.509,1051 7.909,1052 11.856,1053 1,1054 14.707,1055 2.505,1056 9.24,1057 11.037,1058 7.734,1059 17.658,1060 8.656,1061 13.28,1062 0.845,1063 16.522,1064 2.275,1065 10.485,1066 12.665,1067 8.859,1068 20.119,1069 9.859,1070 3.294,1071 0.668,1072 18.351,1073 2.201,1074 11.508,1075 14.001,1076 9.948,1077 22.409,1078 10.782,1079 3.1,1080 11.474,1081 20.191,1082 1.655,1083 12.687,1084 15.559,1085 11.057,1086 24.828,1087 11.908,1088 2.868,1089 10.198,1090 22.041,1091 4.629,1092 13.781,1093 16.994,1094 12.158,1095 27.184,1096 12.918,1097 2.771,1098 9.031,1099 23.898,1100 3.793,1101 14.94,1102 18.527,1103 13.264,1104 29.594,1105 14.019,1106 2.53,1107 8.878,1108 25.762,1109 3.363,1110 16.068,1111 20.01,1112 14.368,1113 31.982,1114 15.075,1115 2.415,1116 7.683,1117 27.632,1118 3.171,1119 17.223,1120 21.537,1121 15.474,1122 34.395,1123 16.171,1124 2.092,1125 7.343,1126 29.507,1127 3.032,1128 18.369,1129 23.044,1130 16.579,1131 36.8,1132 17.252,1133 16924,1134 32307,1135 25.948,1136 37.313,1137 59.55,1138 60.79,1139 60.209,1140 59.143,1141 58.974,1142 72.251,1143 13.166,1144 176.273,1145 54.774,1146 5.682,1147 6.269,1148 6.724,1149 5.335,1150 5.294,1151 7.629,1152 4.53,1153 18.955,1154 5.099,1155 18.35,1156 1.527,1157 1.559,1158 1.544,1159 1.516,1160 1.512,1161 1.853,1162 0.338,1163 4.52,1164 1.404,1165 4.133,1166 4.183,1167 4.112,1168 3.975,1169 8.513,1170 4.001,1171 3.902,1172 3.942,1173 3.842,1174 3.8,1175 8.195,1176 3.806,1177 3.887,1178 3.93,1179 3.797,1180 3.717,1181 7.999,1182 3.728,1183 3.639,1184 3.707,1185 3.567,1186 3.378,1187 7.999,1188 3.406,1189 3.544,1190 3.6,1191 3.506,1192 3.268,1193 7.431,1194 3.312,1195 3.307,1196 3.366,1197 3.244,1198 3.063,1199 5.132,1200 3.093,1201 3.238,1202 3.319,1203 3.151,1204 2.978,1205 4.751,1206 2.997,1207 3.093,1208 3.176,1209 3.008,1210 2.951,1211 4.67,1212 2.926,1213 0.12,1214 0.109,1215 0.176,1216 0.108,1217 0.084,1218 4.682,1219 0.119,1220 4.269,1221 0.077,1222 6.86,1223 0.294,1224 4.228,1225 0.079,1226 3.294,1227 4.629,1228 3.02,1229 11.474,1230 3.099,1231 1.95,1232 1.92,1233 2.027,1234 2.085,1235 1.255,1236 2.063,1237 1.793,1238 1.755,1239 1.902,1240 1.956,1241 1.223,1242 1.943,1243 1.605,1244 1.551,1245 1.86,1246 1.88,1247 1.109,1248 1.841,1249 1.604,1250 1.543,1251 1.782,1252 1.817,1253 0.997,1254 1.803,1255 1.538,1256 1.465,1257 1.746,1258 1.76,1259 0.971,1260 1.798,1261 1.479,1262 1.42,1263 1.623,1264 1.712,1265 0.782,1266 1.689,1267 1.18,1268 1.13,1269 1.331,1270 1.469,1271 0.496,1272 1.432,1273 1.025,1274 0.965,1275 1.215,1276 1.395,1277 0.344,1278 1.31,1279 4.369,1281 5.727,1282 3.045,1283 7.256,1284 5.416,1285 8.87,1286 7.506,1287 10.535,1291 51.731,1295 0.996,1296 4.935,1297 5.901,1299 0.114,1300 2.032,1301 -4.46,1305 37.381,1306 107.962,1307 232.153,1308 281.008,1309 297.008,1310 297.008,1311 297.008,1312 79.009,1313 8.478,1314 97.2,1315 97.2,1316 28,1317 12.96,1318 4.17,1319 3.322,1320 52.036,1321 153,1322 218,1323 0.162,1324 221.761,1325 392.4,1326 532.857,1327 57531,1328 6.9,1329 24.579,1330 0.702,1331 0.53,1332 21.372,1333 18.556,1334 16.786,1335 0.43,1336 0.287,1337 10.915,1338 15.648,1339 10.861,1340 8.785,1341 15.14,1342 11.208,1343 16.366,1344 0.287,1345 0.15,1346 13.656,1347 8.535,1348 12.472,1349 0.171,1350 0.081,1351 11.853,1352 5.929,1353 11.064,1354 0.107,1355 0.043,1356 10.471,1357 4.423,1358 9.16,1359 0.068,1360 0.023,1361 8.28,1362 3.042,1363 0.254,1364 108.704,1365 0.196,1366 32.039,1367 0.45,1368 192,1369 842.807,1370 232.87,1371 690.126,1372 902.68,1373 644,1374 226,1375 630.966,1376 259.747,1377 604.392,1378 910.34,1379 570,1380 5.561}
{0 CHEMBL575130,1 1.84,2 13.73,3 2.458,4 6.039,5 125.663,6 8.802,7 0.524,8 4.224,9 4.339,10 3.923,11 3.699,12 5.411,13 3.742,14 4.8,15 4.953,16 4.383,17 4.108,18 6.332,19 4.143,20 5.005,21 5.213,22 4.267,23 4.183,24 6.174,25 4.167,26 4.946,27 5.168,28 4.311,29 4.139,30 6.198,31 4.139,32 4.923,33 5.105,34 4.38,35 4.163,36 6.301,37 4.188,38 4.962,39 5.153,40 4.322,41 4.195,42 6.165,43 4.203,44 4.981,45 5.18,46 4.298,47 4.203,48 6.243,49 4.18,50 5,51 5.215,52 4.212,53 4.174,54 6.205,55 4.121,56 0.274,57 1.174,58 8.412,59 4.71,60 29.289,61 5.191,62 1.182,63 2.177,64 19.657,65 7.974,66 157.084,67 9.005,68 1.237,69 1.954,70 29.404,71 9.511,72 101.192,73 11.821,74 0.96,75 1.922,76 27.851,77 9.13,78 81.401,79 12.359,80 0.991,81 2.074,82 24.55,83 9.05,84 95.055,85 10.829,86 0.942,87 2.06,88 25.561,89 9.343,90 89.543,91 10.885,92 1.138,93 2.095,94 26.445,95 9.639,96 75.938,97 12.133,98 0.872,99 2.157,100 29.24,101 12.776,102 86.315,103 15.968,104 19,105 62,106 0.295,107 0.665,108 0.808,109 0.87,110 0.883,111 0.883,112 3.642,113 0.828,114 -4.55,115 -4.47,116 -4.21,119 41.4,121 1,125 3,127 2,132 1,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 10,178 2,179 1,180 3,183 4,186 2,187 5,190 1,192 3,195 2,198 5,199 10,204 4,207 2,211 2,212 9,215 1,217 3,220 2,224 10,227 2,229 1,232 5,236 3,237 5,245 6,249 2,250 4,253 4,255 1,258 5,263 3,266 1,271 1,275 2858,276 24.875,277 24.875,278 24.875,279 24.875,280 24.875,281 22.211,282 30.176,283 14.431,284 25.708,285 20.839,286 20.839,287 20.839,288 20.839,289 20.839,290 16.772,291 44.468,292 6.993,293 22.327,294 4.018,295 1.716,296 0.824,297 0.44,298 0.358,299 0.358,300 4.355,305 1,306 1140,307 4.183,310 257.444,311 459.883,314 161.59,318 2.159,319 57.314,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84.5,331 508,332 4.689,333 4.269,334 6.915,335 4.257,336 3.32,337 4.63,338 3.02,339 11.671,340 3.124,341 4.203,342 3.562,343 6.517,344 3.985,345 3.129,346 3.794,347 1.656,348 10.352,349 2.807,350 4.15,351 3.473,352 6.311,353 3.857,354 2.94,355 3.48,356 0.86,357 9.637,358 2.733,359 4.013,360 3.125,361 6.102,362 3.734,363 2.779,364 3.391,365 0.8,366 8.912,367 2.543,368 3.97,369 2.79,370 5.626,371 3.602,372 2.64,373 3.167,374 0.247,375 7.638,376 2.456,377 3.768,378 2.603,379 5.567,380 3.365,381 2.405,382 3.064,384 7.43,385 2.305,386 3.55,387 2.546,388 5.323,389 3.219,390 2.296,391 2.746,393 6.922,394 2.089,395 3.399,396 2.396,397 5.038,398 2.942,399 1.953,400 2.649,402 5.689,403 1.919,404 2.968,405 2.025,406 4.681,407 2.711,408 1.771,409 2.177,411 5.114,412 1.654,413 2.884,414 1.672,415 4.647,416 2.451,417 1.503,418 1.975,420 4.486,421 1.421,422 2.843,423 1.535,424 4.412,425 2.39,426 1.443,427 1.94,428 4.256,429 1.357,430 2.685,431 1.519,432 4.14,433 2.339,434 1.374,435 1.73,436 3.27,437 1.32,438 2.5,439 1.333,440 3.636,441 2.073,442 1.147,443 1.5,445 2.987,446 1.058,447 2.5,448 1.045,449 3.566,450 2,451 1,452 1.5,454 2.275,455 1,456 2.467,457 1,458 3.414,459 1.956,460 1,461 1.459,463 2.136,464 0.953,465 16.724,466 0.452,467 1.109,468 0.03,469 49.5,470 1.338,471 23,472 0.622,473 26.5,474 0.716,475 31.216,476 0.844,477 40.276,478 0.694,479 42.798,480 1.157,481 9.819,482 0.265,483 8.002,484 0.216,485 0.071,486 0.03,487 0.347,490 3,493 0.66,494 1.165,495 0.608,496 1.114,497 0.567,498 0.908,499 0.612,500 0.874,501 0.758,502 0.978,503 0.398,504 0.938,505 0.91,506 0.823,507 1.102,508 0.935,509 0.808,510 1.048,511 0.58,512 0.766,513 0.744,514 0.889,515 0.529,516 0.871,517 0.834,518 0.969,519 0.835,520 0.984,521 0.864,522 0.929,523 0.963,524 1.009,525 1.031,526 1.03,527 0.86,528 1.034,529 0.672,530 0.759,531 1.029,532 1.022,533 0.63,534 1.125,535 0.646,536 1.115,537 0.878,538 1.363,539 0.705,540 1.282,541 9,542 0.272,543 3.556,544 2.194,545 1.924,546 1.702,547 1.018,548 0.675,549 0.562,550 0.419,551 22871,552 75762,553 2.156,554 36.2,556 14,558 3,559 2,562 2,564 1.782,565 2.027,566 3.658,567 0.269,573 106.73,574 1.84,575 4.142,576 5.034,577 5.418,578 5.5,579 5.5,580 3.06,581 4.554,582 5.175,583 3.918,584 2609.25,585 9.118,586 42717.3,591 339.763,592 1.494,593 5.142,594 0.214,595 0.009,596 0.057,597 0.04,598 0.033,599 0.027,600 0.017,601 0.012,602 0.011,603 0.01,604 0.432,605 0.17,606 0.75,607 0.769,608 203.896,609 -0.06,610 -0.176,611 0.043,612 -0.098,613 -0.069,614 -0.014,615 0.255,616 0.15,617 0.049,618 -0.005,619 0.359,620 -0.048,621 -0.09,622 0.051,623 -0.177,624 0.01,625 -0.093,626 -0.087,627 0.088,628 0.041,629 0.18,630 0.045,631 0.08,632 0.122,633 0.006,634 -0.042,635 0.044,636 -0.015,637 0.019,638 0.015,639 -0.173,640 -0.09,641 -0.158,642 -0.072,643 -0.108,644 -0.089,645 0.098,646 0.147,647 -0.14,648 -0.057,649 0.032,650 -0.16,651 0.125,652 -0.214,653 0.092,654 -0.294,655 0.072,656 -0.179,657 5.7,658 5.268,659 0.757,660 47.627,661 1.036,662 1.151,663 3.318,664 11.008,665 0.67,666 3.761,667 4.143,668 4.407,669 4.754,670 4.997,671 5.159,672 5.398,673 5.606,674 5.771,675 5.94,676 8.169,677 0.672,678 510.53,679 3.761,680 5.342,681 6.205,682 7.116,683 7.999,684 8.915,685 9.811,686 10.731,687 11.637,688 12.56,689 13.8,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 58,733 23,734 1,735 42,737 63,738 24,739 16,740 2,741 4,746 6,747 8,751 1,752 1,755 3,757 1,758 3,761 17,762 7,766 1,771 1,775 1,779 3,781 21,782 12,783 2,784 13,790 8,794 0.667,795 2,801 1,803 1,805 1,806 1,808 1,811 3,812 4,815 1,839 1,840 4,846 3,848 37,854 4,855 2,856 1,858 2,859 1,860 1,869 3,870 3.4,873 1,874 1,877 18.25,878 10.379,879 7.708,880 3.351,881 3.983,882 1.455,883 1.03,884 6.037,885 12.745,886 4.007,887 4.627,888 5.195,889 5.838,890 6.396,891 6.784,892 7.308,893 7.783,894 8.142,895 8.566,896 0.889,897 55,898 14.174,900 6.74,901 8.115,902 25.415,904 21.578,905 2.615,906 96.75,910 223.651,911 125.017,912 107.942,914 36.145,915 44.88,917 125.017,918 259.796,919 152.822,921 47.36,922 56.857,923 140.193,924 90.523,925 6.604,926 188.338,927 7.76,928 223.651,929 232.959,930 81.025,933 202.437,934 93.567,935 11,937 85.753,938 77.858,939 67.02,941 268.531,942 144.087,943 125.017,946 231.41,947 33.257,948 88.901,949 36.022,950 148.045,951 223.651,952 188.967,953 125.017,955 0.595,956 0.325,957 0.184,958 0.101,959 33,960 14,961 0.079,962 5,963 3,964 1.179,965 4.763,966 377.666,967 0.214,968 27,969 181.995,974 23.805,975 9.383,976 5.008,977 0.574,978 187.191,979 14.678,980 17.115,984 2.454,985 0.855,986 36.022,987 537.635,988 54,993 12.268,997 -0.442,999 60.076,1000 66.746,1001 0.314,1002 0.707,1003 0.859,1004 0.925,1005 0.939,1006 0.939,1007 5.286,1008 1.953,1009 6.229,1010 6.922,1011 4.828,1012 5.316,1013 3.087,1014 7.083,1015 4.697,1016 6.506,1017 1.771,1018 7.81,1019 5.689,1020 4.575,1021 5.173,1022 3.192,1023 8.138,1024 4.311,1025 7.828,1026 1.503,1027 9.491,1028 5.114,1029 6.5,1030 7.509,1031 4.666,1032 11.186,1033 6.223,1034 9.181,1035 1.443,1036 11.23,1037 4.486,1038 7.031,1039 8.176,1040 5.505,1041 13.031,1042 6.621,1043 10.565,1044 1.374,1045 13.007,1046 4.256,1047 8.466,1048 10.029,1049 6.696,1050 15.643,1051 8.03,1052 11.97,1053 1.147,1054 14.81,1055 3.27,1056 9.339,1057 11.104,1058 7.734,1059 17.81,1060 8.788,1061 13.392,1062 1,1063 16.631,1064 2.987,1065 10.592,1066 12.756,1067 8.859,1068 20.285,1069 9.998,1070 3.32,1071 1,1072 18.467,1073 2.275,1074 11.62,1075 14.051,1076 9.948,1077 22.592,1078 10.93,1079 3.129,1080 11.671,1081 20.314,1082 2.136,1083 12.807,1084 15.618,1085 11.057,1086 25.025,1087 12.062,1088 2.94,1089 10.352,1090 22.171,1091 4.63,1092 13.906,1093 17.029,1094 12.158,1095 27.396,1096 13.08,1097 2.779,1098 9.637,1099 24.036,1100 3.794,1101 15.072,1102 18.565,1103 13.264,1104 29.821,1105 14.186,1106 2.64,1107 8.912,1108 25.907,1109 3.48,1110 16.205,1111 20.034,1112 14.368,1113 32.224,1114 15.249,1115 2.405,1116 7.638,1117 27.784,1118 3.391,1119 17.368,1120 21.561,1121 15.474,1122 34.652,1123 16.35,1124 2.296,1125 7.43,1126 29.666,1127 3.167,1128 18.52,1129 23.06,1130 16.579,1131 37.072,1132 17.436,1133 20977,1134 38426,1135 28.433,1136 38.858,1137 64.99,1138 65.386,1139 64.768,1140 64.575,1141 64.373,1142 81.815,1143 13.166,1144 193.32,1145 60.17,1146 5.689,1147 6.269,1148 6.716,1149 5.365,1150 5.32,1151 7.63,1152 4.53,1153 19.28,1154 5.124,1155 16.746,1156 1.547,1157 1.557,1158 1.542,1159 1.537,1160 1.533,1161 1.948,1162 0.313,1163 4.603,1164 1.433,1165 4.139,1166 4.189,1167 4.117,1168 3.981,1169 8.513,1170 4.007,1171 3.915,1172 3.955,1173 3.861,1174 3.807,1175 7.999,1176 3.814,1177 3.896,1178 3.945,1179 3.812,1180 3.742,1181 7.999,1182 3.752,1183 3.845,1184 3.886,1185 3.787,1186 3.705,1187 7.431,1188 3.72,1189 3.545,1190 3.598,1191 3.533,1192 3.264,1193 5.133,1194 3.311,1195 3.414,1196 3.459,1197 3.373,1198 3.139,1199 4.908,1200 3.188,1201 3.171,1202 3.236,1203 3.147,1204 2.927,1205 4.749,1206 2.964,1207 3.007,1208 3.091,1209 2.899,1210 2.809,1211 4.68,1212 2.794,1213 0.112,1214 0.102,1215 0.165,1216 0.101,1217 0.079,1218 4.689,1219 0.11,1220 4.269,1221 0.072,1222 6.915,1223 0.278,1224 4.257,1225 0.074,1226 3.32,1227 4.63,1228 3.02,1229 11.671,1230 3.124,1231 1.949,1232 1.919,1233 2.025,1234 2.079,1235 1.194,1236 2.059,1237 1.823,1238 1.782,1239 1.934,1240 1.985,1241 1.142,1242 1.969,1243 1.773,1244 1.738,1245 1.858,1246 1.917,1247 1.083,1248 1.907,1249 1.555,1250 1.49,1251 1.759,1252 1.85,1253 0.961,1254 1.808,1255 1.51,1256 1.454,1257 1.716,1258 1.698,1259 0.944,1260 1.707,1261 1.446,1262 1.392,1263 1.612,1264 1.663,1265 0.772,1266 1.664,1267 1.265,1268 1.22,1269 1.391,1270 1.557,1271 0.442,1272 1.513,1273 1.06,1274 1.003,1275 1.22,1276 1.401,1277 0.363,1278 1.318,1279 4.443,1281 5.808,1282 3.434,1283 7.349,1284 5.778,1285 8.972,1286 7.854,1287 10.642,1291 39.619,1295 0.745,1296 5.4,1297 5.686,1299 0.179,1300 2.069,1301 -4.45,1305 38.965,1306 106.73,1307 240.24,1308 291.988,1309 314.253,1310 319.008,1311 319.008,1312 70.715,1313 8.762,1314 110.09,1315 110.09,1316 33,1317 13.07,1318 4.585,1319 3.7,1320 51.051,1321 176,1322 215,1323 0.136,1324 230.366,1325 400.75,1326 553.854,1327 86721,1328 5.2,1329 25.57,1330 0.691,1331 0.522,1332 23.07,1333 19.313,1334 17.821,1335 0.424,1336 0.276,1337 11.32,1338 16.754,1339 11.232,1340 9.13,1341 16.674,1342 11.593,1343 17.525,1344 0.283,1345 0.144,1346 15.169,1347 8.921,1348 13.698,1349 0.169,1350 0.078,1351 13.347,1352 6.298,1353 12.341,1354 0.107,1355 0.041,1356 11.808,1357 4.666,1358 9.926,1359 0.068,1360 0.02,1361 9.36,1362 2.989,1363 0.216,1364 114.359,1365 0.188,1366 33.796,1367 0.369,1368 208,1369 824.341,1370 247.593,1371 707.384,1372 944.11,1373 660,1374 247,1375 685.418,1376 280.598,1377 665.521,1378 997.2,1379 627,1380 5.713}
{0 CHEMBL575345,1 1.832,2 12.147,3 2.521,4 6.356,5 115.252,6 8.456,7 0.41,8 4.189,9 4.308,10 3.857,11 3.652,12 5.308,13 3.687,14 4.784,15 4.95,16 4.304,17 4.046,18 6.28,19 4.069,20 4.978,21 5.204,22 4.178,23 4.109,24 6.1,25 4.087,26 4.895,27 5.115,28 4.262,29 4.082,30 6.14,31 4.084,32 4.889,33 5.075,34 4.299,35 4.12,36 6.222,37 4.136,38 4.924,39 5.121,40 4.256,41 4.157,42 6.075,43 4.153,44 4.96,45 5.167,46 4.225,47 4.157,48 6.181,49 4.121,50 4.972,51 5.202,52 4.111,53 4.094,54 6.135,55 4.026,56 0.25,57 1.129,58 9.287,59 4.76,60 29.698,61 5.581,62 1.168,63 2.067,64 21.834,65 8.008,66 160.533,67 9.869,68 1.227,69 1.793,70 31.798,71 8.977,72 102.613,73 12.281,74 0.908,75 1.807,76 27.401,77 8.576,78 83.401,79 11.986,80 0.945,81 1.993,82 25.469,83 8.714,84 95.028,85 10.939,86 0.847,87 1.978,88 26.224,89 9.232,90 76.754,91 11.572,92 1.085,93 1.988,94 27.856,95 9.616,96 70.037,97 12.92,98 0.829,99 2.013,100 30.949,101 12.567,102 83.628,103 16.144,104 19,105 59,106 0.299,107 0.669,108 0.813,109 0.858,110 0.858,111 0.858,112 3.561,113 0.861,114 -4.82,115 -4.73,116 -4.44,119 39.3,121 3,125 3,127 3,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 4,183 4,186 2,187 4,192 2,195 2,198 5,199 11,204 5,207 2,211 1,212 8,217 2,220 2,224 10,227 2,229 1,232 7,236 3,237 3,245 6,249 2,250 2,253 4,255 1,258 4,263 2,266 1,275 2224,276 22.754,277 22.754,278 22.754,279 22.754,280 22.754,281 20.841,282 30.176,283 12.945,284 23.521,285 19.339,286 19.339,287 19.339,288 19.339,289 19.339,290 16.299,291 44.468,292 6.268,293 20.731,294 3.975,295 1.709,296 0.826,297 0.549,298 0.549,299 0.549,300 4.267,304 1,305 1,306 934,307 4.183,308 70.255,310 230.229,311 288.34,314 144.29,318 1.903,319 54.989,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 78,331 413,332 4.689,333 4.269,334 6.915,335 4.257,336 3.32,337 4.63,338 3.02,339 11.671,340 3.124,341 4.203,342 3.566,343 6.517,344 3.985,345 3.129,346 3.793,347 1.656,348 10.352,349 2.807,350 4.149,351 3.473,352 6.311,353 3.857,354 2.94,355 3.394,356 0.86,357 9.637,358 2.737,359 4.012,360 3.125,361 6.102,362 3.749,363 2.792,364 3.191,365 0.8,366 8.912,367 2.643,368 3.882,369 2.793,370 5.635,371 3.681,372 2.713,373 3.064,374 0.247,375 7.818,376 2.464,377 3.671,378 2.674,379 5.623,380 3.406,381 2.443,382 2.848,384 7.434,385 2.345,386 3.543,387 2.601,388 5.384,389 3.22,390 2.298,391 2.735,393 7.094,394 2.089,395 3.31,396 2.402,397 5.038,398 2.943,399 1.946,400 2.418,402 5.689,403 1.924,404 2.956,405 2.025,406 4.712,407 2.711,408 1.77,409 2.144,411 5.2,412 1.654,413 2.884,414 1.672,415 4.649,416 2.436,417 1.485,418 1.941,420 4.486,421 1.408,422 2.685,423 1.534,424 4.416,425 2.389,426 1.441,427 1.731,428 4.26,429 1.357,430 2.5,431 1.333,432 4.14,433 2.074,434 1.149,435 1.5,436 3.269,437 1.059,438 2.467,439 1.046,440 3.634,441 2,442 1,443 1.46,445 2.275,446 1,447 2.074,448 1,449 3.414,450 1.718,451 0.817,452 0.994,454 2.125,455 0.732,456 1.615,457 0.818,458 3.259,459 1.494,460 0.575,461 0.596,463 1.504,464 0.524,465 15.324,466 0.451,467 1.109,468 0.033,469 41,470 1.206,471 16.5,472 0.485,473 24.5,474 0.721,475 31.074,476 0.914,477 38.076,478 0.68,479 34.845,480 1.025,481 7.809,482 0.23,483 8.512,484 0.25,485 0.078,486 0.033,487 0.378,490 3,493 0.643,494 1.174,495 0.628,496 1.155,497 0.55,498 0.949,499 0.581,500 0.895,501 0.772,502 1.047,503 0.37,504 1,505 0.901,506 0.783,507 1.031,508 0.843,509 0.787,510 0.943,511 0.596,512 0.772,513 0.719,514 0.881,515 0.583,516 0.846,517 0.878,518 0.985,519 0.878,520 0.975,521 0.898,522 0.936,523 0.885,524 1.031,525 0.989,526 1.061,527 0.764,528 1.049,529 0.617,530 0.782,531 1.012,532 1.085,533 0.566,534 1.171,535 0.615,536 1.127,537 0.832,538 1.37,539 0.676,540 1.26,541 9,542 0.254,543 3.611,544 2.035,545 1.863,546 1.615,547 0.947,548 0.69,549 0.539,550 0.372,551 17819,552 55095,553 2.171,554 39.3,556 13,558 1,559 2,561 4,562 2,564 1.764,565 2.03,566 3.498,567 0.293,569 1,573 102.591,574 1.832,575 4.098,576 4.981,577 5.258,578 5.258,579 5.258,580 2.917,581 4.712,582 5.051,583 3.754,584 2106.2,585 8.886,586 31783.9,591 325.212,592 1.543,593 5.015,594 0.231,595 0.009,596 0.064,597 0.041,598 0.034,599 0.028,600 0.017,601 0.014,602 0.013,603 0.01,604 0.461,605 0.17,606 0.75,607 0.812,608 181.021,609 -0.051,610 -0.157,611 0.049,612 -0.081,613 -0.053,614 -0.001,615 0.276,616 0.125,617 0.065,618 -0.05,619 0.374,620 -0.074,621 -0.083,622 0.073,623 -0.091,624 0.094,625 -0.08,626 0.022,627 0.083,628 0.054,629 0.175,630 0.06,631 0.053,632 0.128,633 -0.046,634 -0.039,635 -0.009,636 0.011,637 -0.022,638 0.014,639 -0.139,640 -0.091,641 -0.132,642 -0.076,643 -0.086,644 -0.086,645 0.122,646 0.133,647 -0.135,648 -0.105,649 0.049,650 -0.196,651 0.144,652 -0.232,653 0.129,654 -0.299,655 0.084,656 -0.161,657 5.681,658 5.155,659 0.735,660 40.637,661 1.033,662 1.155,663 3.587,664 12.869,665 0.654,666 3.689,667 4.094,668 4.331,669 4.682,670 4.927,671 5.112,672 5.361,673 5.568,674 5.74,675 5.908,676 7.347,677 0.651,678 473.51,679 3.689,680 5.283,681 6.155,682 7.076,683 7.967,684 8.89,685 9.792,686 10.717,687 11.627,688 12.554,689 12.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 56,733 17,734 1,735 39,737 61,738 22,739 11,740 2,741 4,746 6,747 8,751 1,752 1,755 6,757 1,758 6,761 12,762 10,766 1,771 1,775 1,778 1,779 3,781 22,782 11,783 2,784 12,790 7,794 0.667,795 2,801 1,803 1,806 1,808 1,809 1,811 3,812 3,815 1,839 1,840 4,846 3,848 34,854 6,855 2,856 1,858 3,859 1,860 1,869 3,870 3.6,873 1,874 1,877 16.75,878 9.929,879 6.958,880 3.433,881 3.154,882 1.371,883 1.028,884 5.248,885 11.652,886 3.892,887 4.508,888 5.054,889 5.705,890 6.27,891 6.724,892 7.263,893 7.743,894 8.109,895 8.524,896 0.875,897 50,898 13.112,900 6.361,901 8.1,902 23.734,904 20.804,905 2.6,906 88.417,910 235.422,911 90.282,912 91.156,914 36.145,915 44.88,917 90.282,918 271.567,919 136.037,921 52.429,922 37.905,923 99.865,924 69.672,925 6.604,926 223.651,927 7.76,928 235.422,929 181.438,930 81.025,933 167.123,934 140.652,935 11,937 72.728,938 56.148,939 50.234,941 280.302,942 127.301,943 90.282,946 243.182,947 35.57,948 51.853,949 36.022,950 131.259,951 235.422,952 172.182,953 90.282,955 0.603,956 0.316,957 0.177,958 0.097,959 33,960 14,961 0.082,962 5,963 3,964 1.2,965 4.538,966 342.396,967 0.24,968 24,969 162.219,974 21.783,975 8.192,976 4.638,977 0.614,978 170.405,979 8.308,980 13.165,984 2.079,985 0.868,986 36.022,987 497.885,988 48,993 11.976,997 -0.266,999 57.858,1000 64.663,1001 0.315,1002 0.706,1003 0.858,1004 0.905,1005 0.905,1006 0.905,1007 5.198,1008 1.946,1009 6.192,1010 7.094,1011 4.779,1012 5.196,1013 3.087,1014 7.062,1015 4.648,1016 6.428,1017 1.77,1018 7.788,1019 5.689,1020 4.635,1021 5.165,1022 3.192,1023 8.169,1024 4.389,1025 7.762,1026 1.485,1027 9.48,1028 5.2,1029 6.485,1030 7.387,1031 4.666,1032 11.188,1033 6.211,1034 9.123,1035 1.441,1036 11.228,1037 4.486,1038 7.074,1039 8.139,1040 5.505,1041 13.046,1042 6.685,1043 10.513,1044 1.149,1045 13.01,1046 4.26,1047 8.472,1048 9.926,1049 6.696,1050 15.65,1051 8.044,1052 11.922,1053 1,1054 14.816,1055 3.269,1056 9.371,1057 11.061,1058 7.734,1059 17.818,1060 8.841,1061 13.348,1062 0.817,1063 16.639,1064 2.275,1065 10.608,1066 12.681,1067 8.859,1068 20.29,1069 10.027,1070 3.32,1071 0.575,1072 18.475,1073 2.125,1074 11.646,1075 14.015,1076 9.948,1077 22.596,1078 10.976,1079 3.129,1080 11.671,1081 20.323,1082 1.504,1083 12.825,1084 15.57,1085 11.057,1086 25.029,1087 12.097,1088 2.94,1089 10.352,1090 22.179,1091 4.63,1092 13.927,1093 17.003,1094 12.158,1095 27.399,1096 13.121,1097 2.792,1098 9.637,1099 24.043,1100 3.793,1101 15.089,1102 18.535,1103 13.264,1104 29.823,1105 14.221,1106 2.713,1107 8.912,1108 25.914,1109 3.394,1110 16.223,1111 20.017,1112 14.368,1113 32.226,1114 15.284,1115 2.443,1116 7.818,1117 27.791,1118 3.191,1119 17.383,1120 21.543,1121 15.474,1122 34.653,1123 16.381,1124 2.298,1125 7.434,1126 29.672,1127 3.064,1128 18.534,1129 23.049,1130 16.579,1131 37.073,1132 17.467,1133 16223,1134 28792,1135 26.353,1136 36.614,1137 60.782,1138 61.595,1139 60.992,1140 60.342,1141 60.197,1142 73.475,1143 13.166,1144 184.915,1145 56.259,1146 5.689,1147 6.269,1148 6.329,1149 5.365,1150 5.32,1151 7.63,1152 4.53,1153 19.28,1154 5.124,1155 15.82,1156 1.559,1157 1.579,1158 1.564,1159 1.547,1160 1.544,1161 1.884,1162 0.338,1163 4.741,1164 1.443,1165 4.139,1166 4.189,1167 4.117,1168 3.981,1169 8.513,1170 4.006,1171 3.925,1172 3.976,1173 3.856,1174 3.809,1175 7.999,1176 3.815,1177 3.899,1178 3.947,1179 3.81,1180 3.752,1181 7.999,1182 3.747,1183 3.851,1184 3.896,1185 3.754,1186 3.705,1187 7.431,1188 3.719,1189 3.543,1190 3.596,1191 3.53,1192 3.262,1193 5.133,1194 3.309,1195 3.374,1196 3.42,1197 3.324,1198 3.108,1199 4.751,1200 3.154,1201 3.155,1202 3.219,1203 3.127,1204 2.877,1205 4.68,1206 2.928,1207 3.002,1208 3.086,1209 2.886,1210 2.807,1211 4.476,1212 2.79,1213 0.12,1214 0.109,1215 0.177,1216 0.109,1217 0.085,1218 4.689,1219 0.119,1220 4.269,1221 0.077,1222 6.915,1223 0.299,1224 4.257,1225 0.08,1226 3.32,1227 4.63,1228 3.02,1229 11.671,1230 3.124,1231 1.948,1232 1.919,1233 2.025,1234 2.078,1235 1.194,1236 2.057,1237 1.778,1238 1.742,1239 1.86,1240 1.937,1241 1.142,1242 1.918,1243 1.555,1244 1.49,1245 1.76,1246 1.851,1247 1.083,1248 1.808,1249 1.51,1250 1.454,1251 1.716,1252 1.716,1253 0.96,1254 1.707,1255 1.449,1256 1.394,1257 1.614,1258 1.676,1259 0.825,1260 1.679,1261 1.383,1262 1.326,1263 1.556,1264 1.642,1265 0.817,1266 1.625,1267 1.153,1268 1.064,1269 1.513,1270 1.406,1271 0.771,1272 1.429,1273 1.104,1274 1.047,1275 1.265,1276 1.376,1277 0.442,1278 1.336,1279 4.369,1280 1.946,1281 5.753,1282 4.263,1283 7.306,1284 6.304,1285 8.938,1286 8.239,1287 10.618,1291 39.465,1295 2.792,1296 5.625,1297 5.68,1299 0.458,1300 2.083,1301 -4.431,1305 36.47,1306 102.591,1307 229.489,1308 278.947,1309 294.457,1310 294.457,1311 294.457,1312 65.275,1313 8.498,1314 97.2,1315 97.2,1316 30,1317 13.061,1318 4.17,1319 3.322,1320 45.004,1321 145,1322 177,1323 0.147,1324 213.17,1325 373.97,1326 511.894,1327 59082,1328 5.4,1329 23.449,1330 0.69,1331 0.531,1332 20.949,1333 18.048,1334 16.321,1335 0.418,1336 0.287,1337 10.931,1338 15.328,1339 10.861,1340 8.78,1341 15.174,1342 11.188,1343 16.465,1344 0.279,1345 0.152,1346 14.108,1347 8.973,1348 12.381,1349 0.165,1350 0.08,1351 12.031,1352 6.002,1353 11.154,1354 0.104,1355 0.041,1356 10.621,1357 4.433,1358 8.942,1359 0.065,1360 0.021,1361 8.377,1362 2.839,1363 0.23,1364 104.859,1365 0.195,1366 31.336,1367 0.408,1368 196,1369 760.696,1370 234.205,1371 642.994,1372 857.44,1373 600,1374 235,1375 623.024,1376 267.071,1377 600.459,1378 907.65,1379 567,1380 5.022}
{0 CHEMBL575501,1 1.612,2 12.722,3 1.586,4 2.516,5 133.132,6 7.708,7 0.537,8 4.274,9 4.391,10 3.881,11 3.776,12 5.369,13 3.781,14 4.838,15 5.012,16 4.253,17 4.186,18 5.887,19 4.174,20 5.106,21 5.32,22 4.332,23 4.335,24 6.116,25 4.292,26 5.159,27 5.391,28 4.317,29 4.337,30 6.214,31 4.286,32 5.11,33 5.319,34 4.318,35 4.366,36 6.155,37 4.309,38 5.159,39 5.382,40 4.301,41 4.383,42 6.116,43 4.32,44 5.151,45 5.376,46 4.266,47 4.362,48 6.128,49 4.287,50 5.142,51 5.369,52 4.196,53 4.363,54 6.107,55 4.264,56 0.09,57 1.009,58 12.358,59 5.363,60 10.84,61 6.938,62 0.42,63 1.652,64 24.976,65 8.627,66 28.615,67 11.687,68 0.538,69 2.008,70 35.424,71 11.453,72 47.806,73 16.259,74 0.789,75 2.077,76 38.798,77 11.855,78 76.724,79 16.811,80 0.608,81 2.024,82 35.123,83 11.891,84 70.896,85 16.778,86 0.58,87 2.149,88 37.045,89 11.591,90 49.839,91 16.847,92 0.758,93 2.06,94 37.39,95 11.968,96 56.41,97 17.384,98 0.52,99 1.971,100 37.033,101 13.846,102 55.424,103 19.35,104 5,105 58,106 0.255,107 0.596,108 0.769,109 0.84,110 0.845,111 0.845,112 3.616,113 0.896,114 -4.24,115 -4.18,116 -3.95,119 41.3,121 2,125 6,127 1,142 6,143 3,144 1,145 3,147 1,149 1,158 1,161 1,166 1,172 6,174 4,175 15,180 2,183 6,186 2,187 9,192 2,195 2,198 8,199 10,204 1,207 5,211 2,212 8,215 2,220 4,223 2,224 12,232 5,236 4,237 6,240 2,242 1,245 5,249 4,250 8,253 1,258 3,262 1,263 7,268 2,271 3,275 2560,276 24.999,277 24.999,278 24.999,279 24.999,280 24.999,281 22.395,282 27.072,283 14.808,284 25.651,285 20.279,286 20.279,287 20.279,288 20.279,289 20.279,290 16.263,291 34.223,292 7.066,293 21.329,294 4.365,295 2.207,296 1.115,297 0.667,298 0.635,299 0.635,300 4.336,305 1,306 1026,307 2.915,310 80.693,311 543.302,314 146.966,318 1.991,319 37.582,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 78.5,331 458,332 4.694,333 3.694,334 6.903,335 4.238,336 3.289,337 4.638,338 1.2,339 11.617,340 3.121,341 4.241,342 3.378,343 6.399,344 3.957,345 2.98,346 3.81,347 0.86,348 9.722,349 2.911,350 4.187,351 3.028,352 6.319,353 3.803,354 2.835,355 3.716,356 0.8,357 9.531,358 2.748,359 3.982,360 2.875,361 6.124,362 3.703,363 2.755,364 3.353,365 0.293,366 9.006,367 2.608,368 3.604,369 2.57,370 5.582,371 3.324,372 2.371,373 2.996,375 7.199,376 2.247,377 3.559,378 2.405,379 5.231,380 3.17,381 2.223,382 2.792,384 6.306,385 2.098,386 3.357,387 2.324,388 5.05,389 3.06,390 2.108,391 2.487,393 6.072,394 2,395 3.003,396 2.168,397 4.768,398 2.69,399 1.761,400 2.14,402 4.858,403 1.634,404 2.937,405 2.042,406 4.326,407 2.453,408 1.502,409 2.086,411 4.04,412 1.42,413 2.823,414 1.533,415 4.133,416 2.423,417 1.47,418 1.91,420 3.448,421 1.395,422 2.653,423 1.528,424 3.85,425 2.171,426 1.258,427 1.719,428 3.063,429 1.154,430 2.52,431 1.323,432 3.751,433 2.147,434 1.178,435 1.515,436 2.889,437 1.127,438 2.5,439 1.256,440 3.476,441 1.998,442 1.044,443 1.5,445 2.528,446 0.99,447 2.418,448 1.193,449 3.416,450 1.984,451 1,452 1.392,454 2.275,455 0.983,456 2.228,457 1.077,458 3.414,459 1.956,460 1,461 1.056,463 2.136,464 0.954,465 16.8,466 0.467,467 0.76,468 0.021,469 47.75,470 1.326,471 22.5,472 0.625,473 25.25,474 0.701,475 32.208,476 0.895,477 38.4,478 0.61,479 38.539,480 1.071,481 9.283,482 0.258,483 8.387,484 0.233,485 0.04,487 0.339,493 0.814,494 1.458,495 0.732,496 1.154,497 0.684,498 0.967,499 1.031,500 1.145,501 0.912,502 0.961,503 0.642,504 0.915,505 1.03,506 1.184,507 0.945,508 1.002,509 0.812,510 0.959,511 1.062,512 0.869,513 1.003,514 0.86,515 1.302,516 0.902,517 0.91,518 1.129,519 0.999,520 1.029,521 1.095,522 1.027,523 0.97,524 1.128,525 1.116,526 1.045,527 0.778,528 1.073,529 0.822,530 1.002,531 1.092,532 1.023,533 0.637,534 1.075,535 0.682,536 0.988,537 1.022,538 1.185,539 0.646,540 1.167,541 5.5,542 0.234,543 4.222,544 2.222,545 1.756,546 1.344,547 0.934,548 0.573,549 0.351,550 0.264,551 20386,552 53849,553 2.203,554 42.9,556 19,558 3,559 1,562 4,564 1.778,565 2.118,566 3.599,567 -0.327,573 101.569,574 1.612,575 3.77,576 4.862,577 5.311,578 5.342,579 5.342,580 3.055,581 4.76,582 5.137,583 3.805,584 2397.22,585 9.053,586 37496.9,591 376.569,592 1.194,593 5.125,594 0.134,595 0.007,596 0.073,597 0.036,598 0.03,599 0.022,600 0.016,601 0.01,602 0.007,603 0.006,604 0.342,605 0.17,606 0.75,607 0.375,608 194.967,609 -0.019,610 -0.257,611 0.074,612 -0.102,613 -0.021,614 -0.021,615 -0.06,616 -0.005,617 -0.011,618 0.014,619 0.017,620 0.009,621 -0.079,622 -0.14,623 0.012,624 -0.031,625 0.016,627 -0.039,628 0.171,629 -0.015,630 0.077,631 -0.084,632 0.041,633 -0.015,634 -0.078,635 -0.058,636 -0.044,637 -0.081,638 -0.059,639 -0.136,640 -0.045,641 -0.173,642 -0.097,643 -0.116,644 -0.127,645 0.048,646 0.051,647 -0.137,648 -0.064,649 0.009,650 -0.116,651 0.084,652 -0.004,653 -0.076,654 -0.161,655 0.098,656 -0.147,657 1.657,658 5.861,659 0.917,660 42.611,661 1.008,662 1.131,663 3.014,664 9.082,665 0.667,666 3.738,667 4.078,668 4.407,669 4.71,670 4.99,671 5.136,672 5.389,673 5.587,674 5.753,675 5.911,676 7.576,677 0.644,678 485.6,679 3.738,680 5.293,681 6.168,682 7.059,683 7.951,684 8.851,685 9.752,686 10.659,687 11.567,688 12.478,689 11.1,695 1,696 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,719 1,726 1,728 1,731 63,733 23,734 1,735 41,737 68,738 26,739 16,740 2,741 4,742 1,746 6,747 7,755 3,758 3,761 17,762 9,766 1,771 1,775 1,781 27,782 9,783 1,784 10,790 7,794 0.833,795 3,803 1,805 1,806 1,811 1,812 5,815 1,839 1,840 5,848 36,853 1,854 8,856 1,858 1,859 2,870 4.8,872 1,873 1,874 1,877 17,878 11.267,879 7.806,880 3.926,881 3.729,882 1.427,883 0.997,884 6.363,885 12.458,886 3.989,887 4.588,888 5.217,889 5.827,890 6.389,891 6.762,892 7.275,893 7.726,894 8.082,895 8.468,896 1,897 61,898 13.365,900 5.845,901 7.699,902 25.71,904 21.784,905 2.199,906 79.167,910 306.049,911 126.696,912 75.045,914 78.828,917 126.696,918 384.877,919 75.045,921 25.801,922 56.857,923 187.581,924 43.315,925 2.328,926 270.735,928 306.049,929 201.741,930 78.828,933 261.292,934 114.913,935 11,937 56.435,938 75.958,939 67.02,941 306.049,942 153.873,943 126.696,946 306.049,947 42.697,948 92.025,950 145.848,951 306.049,952 153.873,953 126.696,955 0.581,956 0.347,957 0.193,958 0.108,959 30,960 12,961 0.059,962 4,963 1,964 1.061,965 4.649,966 369.167,967 0.061,968 33,969 178.117,974 23.048,975 9.939,976 4.611,977 1.663,978 152.096,979 15.711,980 18.63,984 2.904,985 1.985,986 42.683,987 586.618,988 53,993 12.861,997 0.009,999 63.531,1000 71.268,1001 0.27,1002 0.631,1003 0.813,1004 0.888,1005 0.894,1006 0.894,1007 5.239,1008 1.761,1009 6.146,1010 6.072,1011 4.762,1012 5.276,1013 1.844,1014 6.982,1015 4.668,1016 6.43,1017 1.502,1018 7.715,1019 4.858,1020 4.29,1021 5.027,1022 0.57,1023 7.919,1024 4.157,1025 7.734,1026 1.47,1027 9.387,1028 4.04,1029 6.372,1030 7.473,1031 1.806,1032 11.065,1033 6.191,1034 9.077,1035 1.258,1036 11.123,1037 3.448,1038 6.77,1039 8.129,1040 0.801,1041 12.861,1042 6.553,1043 10.457,1044 1.178,1045 12.899,1046 3.063,1047 8.283,1048 10.02,1049 1.913,1050 15.514,1051 8.021,1052 11.864,1053 1.044,1054 14.704,1055 2.889,1056 9.08,1057 11.109,1058 1.074,1059 17.656,1060 8.779,1061 13.292,1062 1,1063 16.529,1064 2.528,1065 10.366,1066 12.774,1067 2.092,1068 20.146,1069 10.019,1070 3.289,1071 1,1072 18.369,1073 2.275,1074 11.352,1075 14.081,1076 1.404,1077 22.44,1078 10.962,1079 2.98,1080 11.617,1081 20.219,1082 2.136,1083 12.548,1084 15.652,1085 2.32,1086 24.879,1087 12.112,1088 2.835,1089 9.722,1090 22.079,1091 4.638,1092 13.623,1093 17.069,1094 1.768,1095 27.244,1096 13.141,1097 2.755,1098 9.531,1099 23.946,1100 3.81,1101 14.788,1102 18.606,1103 2.581,1104 29.671,1105 14.258,1106 2.371,1107 9.006,1108 25.819,1109 3.716,1110 15.907,1111 20.078,1112 2.15,1113 32.071,1114 15.327,1115 2.223,1116 7.199,1117 27.698,1118 3.353,1119 17.064,1120 21.604,1121 2.867,1122 34.5,1123 16.435,1124 2.108,1125 6.306,1126 29.58,1127 2.996,1128 18.206,1129 23.104,1130 2.538,1131 36.919,1132 17.526,1133 18631,1134 30429,1135 28.433,1136 42.017,1137 62.819,1138 63.579,1139 63.265,1140 62.398,1141 62.315,1142 79.821,1143 6.306,1144 180.83,1145 59.35,1146 5.694,1147 5.694,1148 6.705,1149 5.342,1150 5.289,1151 7.638,1152 2.293,1153 19.167,1154 5.121,1155 11.557,1156 1.532,1157 1.551,1158 1.543,1159 1.522,1160 1.52,1161 1.947,1162 0.154,1163 4.41,1164 1.448,1165 4.141,1166 4.192,1167 4.116,1168 3.982,1169 7.428,1170 4.008,1171 3.919,1172 3.958,1173 3.864,1174 3.804,1175 6.471,1176 3.811,1177 3.872,1178 3.901,1179 3.817,1180 3.775,1181 5.131,1182 3.785,1183 3.775,1184 3.831,1185 3.67,1186 3.614,1187 4.878,1188 3.616,1189 3.686,1190 3.744,1191 3.574,1192 3.481,1193 4.677,1194 3.496,1195 3.298,1196 3.353,1197 3.252,1198 3.064,1199 4.616,1200 3.102,1201 3.16,1202 3.206,1203 3.098,1204 2.98,1205 4.429,1206 3.001,1207 3.111,1208 3.206,1209 2.883,1210 2.941,1211 4.208,1212 2.91,1213 0.114,1214 0.09,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.694,1221 0.029,1222 6.903,1223 0.283,1224 4.238,1225 0.076,1226 3.289,1227 4.638,1228 1.2,1229 11.617,1230 3.121,1231 1.949,1232 1.919,1233 2.054,1234 2.104,1235 1.412,1236 2.086,1237 1.88,1238 1.841,1239 2.009,1240 2.037,1241 1.219,1242 2.029,1243 1.802,1244 1.764,1245 1.931,1246 1.945,1247 1.08,1248 1.944,1249 1.759,1250 1.707,1251 1.922,1252 1.936,1253 0.965,1254 1.934,1255 1.578,1256 1.53,1257 1.715,1258 1.773,1259 0.871,1260 1.759,1261 1.289,1262 1.219,1263 1.513,1264 1.593,1265 0.825,1266 1.548,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.428,1276 1.376,1277 0.61,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.292,1284 4.727,1285 8.92,1286 6.862,1287 10.595,1294 10.04,1295 5.607,1297 5.551,1299 0.116,1300 4.09,1305 40.562,1306 101.569,1307 237.533,1308 306.304,1309 334.569,1310 336.569,1311 336.569,1312 59.618,1313 8.729,1314 109.5,1315 109.5,1316 35,1317 12.994,1318 4.585,1319 3.7,1320 48.882,1321 159,1322 187,1323 0.145,1324 243.158,1325 414.93,1326 585.066,1327 80773,1329 24.485,1330 0.68,1331 0.551,1332 24.485,1333 19.825,1334 17.67,1335 0.431,1336 0.299,1337 12.028,1338 16.846,1339 11.866,1340 9.694,1341 17.67,1342 12.239,1343 15.826,1344 0.273,1345 0.157,1346 15.826,1347 9.112,1348 14.091,1349 0.174,1350 0.085,1351 14.091,1352 6.855,1353 12.109,1354 0.11,1355 0.045,1356 12.109,1357 4.954,1358 10.123,1359 0.069,1360 0.024,1361 10.123,1362 3.524,1363 0.227,1364 111.632,1365 0.188,1366 32.755,1367 0.403,1368 198,1369 579.137,1370 220.156,1371 553.863,1372 767.67,1373 522,1374 238,1375 575.85,1376 262.712,1377 576.932,1378 854.06,1379 545,1380 7.066}
{0 CHEMBL575539,1 1.832,2 12.147,3 2.521,4 6.356,5 115.252,6 8.456,7 0.41,8 4.189,9 4.308,10 3.857,11 3.652,12 5.308,13 3.687,14 4.784,15 4.95,16 4.304,17 4.046,18 6.28,19 4.069,20 4.978,21 5.204,22 4.178,23 4.109,24 6.1,25 4.087,26 4.895,27 5.115,28 4.262,29 4.082,30 6.14,31 4.084,32 4.889,33 5.075,34 4.299,35 4.12,36 6.222,37 4.136,38 4.924,39 5.121,40 4.256,41 4.157,42 6.075,43 4.153,44 4.96,45 5.167,46 4.225,47 4.157,48 6.181,49 4.121,50 4.972,51 5.202,52 4.111,53 4.094,54 6.135,55 4.026,56 0.25,57 1.129,58 9.287,59 4.76,60 29.698,61 5.581,62 1.168,63 2.067,64 21.834,65 8.008,66 160.533,67 9.869,68 1.227,69 1.793,70 31.798,71 8.977,72 102.613,73 12.281,74 0.908,75 1.807,76 27.401,77 8.576,78 83.401,79 11.986,80 0.945,81 1.993,82 25.469,83 8.714,84 95.028,85 10.939,86 0.847,87 1.978,88 26.224,89 9.232,90 76.754,91 11.572,92 1.085,93 1.988,94 27.856,95 9.616,96 70.037,97 12.92,98 0.829,99 2.013,100 30.949,101 12.567,102 83.628,103 16.144,104 19,105 59,106 0.299,107 0.669,108 0.813,109 0.858,110 0.858,111 0.858,112 3.561,113 0.861,114 -4.82,115 -4.73,116 -4.44,119 39.3,121 3,125 3,127 3,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 4,183 4,186 2,187 4,192 2,195 2,198 5,199 11,204 5,207 2,211 1,212 8,217 2,220 2,224 10,227 2,229 1,232 7,236 3,237 3,245 6,249 2,250 2,253 4,255 1,258 4,263 2,266 1,275 2224,276 22.754,277 22.754,278 22.754,279 22.754,280 22.754,281 20.841,282 30.176,283 12.945,284 23.521,285 19.339,286 19.339,287 19.339,288 19.339,289 19.339,290 16.299,291 44.468,292 6.268,293 20.731,294 3.975,295 1.709,296 0.826,297 0.549,298 0.549,299 0.549,300 4.267,304 1,305 1,306 934,307 4.183,308 70.255,310 230.229,311 288.34,314 144.29,318 1.903,319 54.989,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 78,331 413,332 4.689,333 4.269,334 6.915,335 4.257,336 3.32,337 4.63,338 3.02,339 11.671,340 3.124,341 4.203,342 3.566,343 6.517,344 3.985,345 3.129,346 3.793,347 1.656,348 10.352,349 2.807,350 4.149,351 3.473,352 6.311,353 3.857,354 2.94,355 3.394,356 0.86,357 9.637,358 2.737,359 4.012,360 3.125,361 6.102,362 3.749,363 2.792,364 3.191,365 0.8,366 8.912,367 2.643,368 3.882,369 2.793,370 5.635,371 3.681,372 2.713,373 3.064,374 0.247,375 7.818,376 2.464,377 3.671,378 2.674,379 5.623,380 3.406,381 2.443,382 2.848,384 7.434,385 2.345,386 3.543,387 2.601,388 5.384,389 3.22,390 2.298,391 2.735,393 7.094,394 2.089,395 3.31,396 2.402,397 5.038,398 2.943,399 1.946,400 2.418,402 5.689,403 1.924,404 2.956,405 2.025,406 4.712,407 2.711,408 1.77,409 2.144,411 5.2,412 1.654,413 2.884,414 1.672,415 4.649,416 2.436,417 1.485,418 1.941,420 4.486,421 1.408,422 2.685,423 1.534,424 4.416,425 2.389,426 1.441,427 1.731,428 4.26,429 1.357,430 2.5,431 1.333,432 4.14,433 2.074,434 1.149,435 1.5,436 3.269,437 1.059,438 2.467,439 1.046,440 3.634,441 2,442 1,443 1.46,445 2.275,446 1,447 2.074,448 1,449 3.414,450 1.718,451 0.817,452 0.994,454 2.125,455 0.732,456 1.615,457 0.818,458 3.259,459 1.494,460 0.575,461 0.596,463 1.504,464 0.524,465 15.324,466 0.451,467 1.109,468 0.033,469 41,470 1.206,471 16.5,472 0.485,473 24.5,474 0.721,475 31.074,476 0.914,477 38.076,478 0.68,479 34.845,480 1.025,481 7.809,482 0.23,483 8.512,484 0.25,485 0.078,486 0.033,487 0.378,490 3,493 0.643,494 1.174,495 0.628,496 1.155,497 0.55,498 0.949,499 0.581,500 0.895,501 0.772,502 1.047,503 0.37,504 1,505 0.901,506 0.783,507 1.031,508 0.843,509 0.787,510 0.943,511 0.596,512 0.772,513 0.719,514 0.881,515 0.583,516 0.846,517 0.878,518 0.985,519 0.878,520 0.975,521 0.898,522 0.936,523 0.885,524 1.031,525 0.989,526 1.061,527 0.764,528 1.049,529 0.617,530 0.782,531 1.012,532 1.085,533 0.566,534 1.171,535 0.615,536 1.127,537 0.832,538 1.37,539 0.676,540 1.26,541 9,542 0.254,543 3.611,544 2.035,545 1.863,546 1.615,547 0.947,548 0.69,549 0.539,550 0.372,551 17819,552 55095,553 2.171,554 39.3,556 13,558 1,559 2,561 4,562 2,564 1.764,565 2.03,566 3.498,567 0.293,569 1,573 102.591,574 1.832,575 4.098,576 4.981,577 5.258,578 5.258,579 5.258,580 2.917,581 4.712,582 5.051,583 3.754,584 2106.2,585 8.886,586 31783.9,591 325.212,592 1.543,593 5.015,594 0.231,595 0.009,596 0.064,597 0.041,598 0.034,599 0.028,600 0.017,601 0.014,602 0.013,603 0.01,604 0.461,605 0.17,606 0.75,607 0.812,608 181.021,609 -0.051,610 -0.157,611 0.049,612 -0.081,613 -0.053,614 -0.001,615 0.276,616 0.125,617 0.065,618 -0.05,619 0.374,620 -0.074,621 -0.083,622 0.073,623 -0.091,624 0.094,625 -0.08,626 0.022,627 0.083,628 0.054,629 0.175,630 0.06,631 0.053,632 0.128,633 -0.046,634 -0.039,635 -0.009,636 0.011,637 -0.022,638 0.014,639 -0.139,640 -0.091,641 -0.132,642 -0.076,643 -0.086,644 -0.086,645 0.122,646 0.133,647 -0.135,648 -0.105,649 0.049,650 -0.196,651 0.144,652 -0.232,653 0.129,654 -0.299,655 0.084,656 -0.161,657 5.681,658 5.155,659 0.735,660 40.637,661 1.033,662 1.155,663 3.587,664 12.869,665 0.654,666 3.689,667 4.094,668 4.331,669 4.682,670 4.927,671 5.112,672 5.361,673 5.568,674 5.74,675 5.908,676 7.347,677 0.651,678 473.51,679 3.689,680 5.283,681 6.155,682 7.076,683 7.967,684 8.89,685 9.792,686 10.717,687 11.627,688 12.554,689 12.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 56,733 17,734 1,735 39,737 61,738 22,739 11,740 2,741 4,746 6,747 8,751 1,752 1,755 6,757 1,758 6,761 12,762 10,766 1,771 1,775 1,778 1,779 3,781 22,782 11,783 2,784 12,790 7,794 0.667,795 2,801 1,803 1,806 1,808 1,809 1,811 3,812 3,815 1,839 1,840 4,846 3,848 34,854 6,855 2,856 1,858 3,859 1,860 1,869 3,870 3.6,873 1,874 1,877 16.75,878 9.929,879 6.958,880 3.433,881 3.154,882 1.371,883 1.028,884 5.248,885 11.652,886 3.892,887 4.508,888 5.054,889 5.705,890 6.27,891 6.724,892 7.263,893 7.743,894 8.109,895 8.524,896 0.875,897 50,898 13.112,900 6.361,901 8.1,902 23.734,904 20.804,905 2.6,906 88.417,910 235.422,911 90.282,912 91.156,914 36.145,915 44.88,917 90.282,918 271.567,919 136.037,921 52.429,922 37.905,923 99.865,924 69.672,925 6.604,926 223.651,927 7.76,928 235.422,929 181.438,930 81.025,933 167.123,934 140.652,935 11,937 72.728,938 56.148,939 50.234,941 280.302,942 127.301,943 90.282,946 243.182,947 35.57,948 51.853,949 36.022,950 131.259,951 235.422,952 172.182,953 90.282,955 0.603,956 0.316,957 0.177,958 0.097,959 33,960 14,961 0.082,962 5,963 3,964 1.2,965 4.538,966 342.396,967 0.24,968 24,969 162.219,974 21.783,975 8.192,976 4.638,977 0.614,978 170.405,979 8.308,980 13.165,984 2.079,985 0.868,986 36.022,987 497.885,988 48,993 11.976,997 -0.266,999 57.858,1000 64.663,1001 0.315,1002 0.706,1003 0.858,1004 0.905,1005 0.905,1006 0.905,1007 5.198,1008 1.946,1009 6.192,1010 7.094,1011 4.779,1012 5.196,1013 3.087,1014 7.062,1015 4.648,1016 6.428,1017 1.77,1018 7.788,1019 5.689,1020 4.635,1021 5.165,1022 3.192,1023 8.169,1024 4.389,1025 7.762,1026 1.485,1027 9.48,1028 5.2,1029 6.485,1030 7.387,1031 4.666,1032 11.188,1033 6.211,1034 9.123,1035 1.441,1036 11.228,1037 4.486,1038 7.074,1039 8.139,1040 5.505,1041 13.046,1042 6.685,1043 10.513,1044 1.149,1045 13.01,1046 4.26,1047 8.472,1048 9.926,1049 6.696,1050 15.65,1051 8.044,1052 11.922,1053 1,1054 14.816,1055 3.269,1056 9.371,1057 11.061,1058 7.734,1059 17.818,1060 8.841,1061 13.348,1062 0.817,1063 16.639,1064 2.275,1065 10.608,1066 12.681,1067 8.859,1068 20.29,1069 10.027,1070 3.32,1071 0.575,1072 18.475,1073 2.125,1074 11.646,1075 14.015,1076 9.948,1077 22.596,1078 10.976,1079 3.129,1080 11.671,1081 20.323,1082 1.504,1083 12.825,1084 15.57,1085 11.057,1086 25.029,1087 12.097,1088 2.94,1089 10.352,1090 22.179,1091 4.63,1092 13.927,1093 17.003,1094 12.158,1095 27.399,1096 13.121,1097 2.792,1098 9.637,1099 24.043,1100 3.793,1101 15.089,1102 18.535,1103 13.264,1104 29.823,1105 14.221,1106 2.713,1107 8.912,1108 25.914,1109 3.394,1110 16.223,1111 20.017,1112 14.368,1113 32.226,1114 15.284,1115 2.443,1116 7.818,1117 27.791,1118 3.191,1119 17.383,1120 21.543,1121 15.474,1122 34.653,1123 16.381,1124 2.298,1125 7.434,1126 29.672,1127 3.064,1128 18.534,1129 23.049,1130 16.579,1131 37.073,1132 17.467,1133 16223,1134 28792,1135 26.353,1136 36.614,1137 60.782,1138 61.595,1139 60.992,1140 60.342,1141 60.197,1142 73.475,1143 13.166,1144 184.915,1145 56.259,1146 5.689,1147 6.269,1148 6.329,1149 5.365,1150 5.32,1151 7.63,1152 4.53,1153 19.28,1154 5.124,1155 15.82,1156 1.559,1157 1.579,1158 1.564,1159 1.547,1160 1.544,1161 1.884,1162 0.338,1163 4.741,1164 1.443,1165 4.139,1166 4.189,1167 4.117,1168 3.981,1169 8.513,1170 4.006,1171 3.925,1172 3.976,1173 3.856,1174 3.809,1175 7.999,1176 3.815,1177 3.899,1178 3.947,1179 3.81,1180 3.752,1181 7.999,1182 3.747,1183 3.851,1184 3.896,1185 3.754,1186 3.705,1187 7.431,1188 3.719,1189 3.543,1190 3.596,1191 3.53,1192 3.262,1193 5.133,1194 3.309,1195 3.374,1196 3.42,1197 3.324,1198 3.108,1199 4.751,1200 3.154,1201 3.155,1202 3.219,1203 3.127,1204 2.877,1205 4.68,1206 2.928,1207 3.002,1208 3.086,1209 2.886,1210 2.807,1211 4.476,1212 2.79,1213 0.12,1214 0.109,1215 0.177,1216 0.109,1217 0.085,1218 4.689,1219 0.119,1220 4.269,1221 0.077,1222 6.915,1223 0.299,1224 4.257,1225 0.08,1226 3.32,1227 4.63,1228 3.02,1229 11.671,1230 3.124,1231 1.948,1232 1.919,1233 2.025,1234 2.078,1235 1.194,1236 2.057,1237 1.778,1238 1.742,1239 1.86,1240 1.937,1241 1.142,1242 1.918,1243 1.555,1244 1.49,1245 1.76,1246 1.851,1247 1.083,1248 1.808,1249 1.51,1250 1.454,1251 1.716,1252 1.716,1253 0.96,1254 1.707,1255 1.449,1256 1.394,1257 1.614,1258 1.676,1259 0.825,1260 1.679,1261 1.383,1262 1.326,1263 1.556,1264 1.642,1265 0.817,1266 1.625,1267 1.153,1268 1.064,1269 1.513,1270 1.406,1271 0.771,1272 1.429,1273 1.104,1274 1.047,1275 1.265,1276 1.376,1277 0.442,1278 1.336,1279 4.369,1280 1.946,1281 5.753,1282 4.263,1283 7.306,1284 6.304,1285 8.938,1286 8.239,1287 10.618,1291 39.465,1295 2.792,1296 5.625,1297 5.68,1299 0.458,1300 2.083,1301 -4.431,1305 36.47,1306 102.591,1307 229.489,1308 278.947,1309 294.457,1310 294.457,1311 294.457,1312 65.275,1313 8.498,1314 97.2,1315 97.2,1316 30,1317 13.061,1318 4.17,1319 3.322,1320 45.004,1321 145,1322 177,1323 0.147,1324 213.17,1325 373.97,1326 511.894,1327 59082,1328 5.4,1329 23.449,1330 0.69,1331 0.531,1332 20.949,1333 18.048,1334 16.321,1335 0.418,1336 0.287,1337 10.931,1338 15.328,1339 10.861,1340 8.78,1341 15.174,1342 11.188,1343 16.465,1344 0.279,1345 0.152,1346 14.108,1347 8.973,1348 12.381,1349 0.165,1350 0.08,1351 12.031,1352 6.002,1353 11.154,1354 0.104,1355 0.041,1356 10.621,1357 4.433,1358 8.942,1359 0.065,1360 0.021,1361 8.377,1362 2.839,1363 0.23,1364 104.859,1365 0.195,1366 31.336,1367 0.408,1368 196,1369 760.696,1370 234.205,1371 642.994,1372 857.44,1373 600,1374 235,1375 623.024,1376 267.071,1377 600.459,1378 907.65,1379 567,1380 5.392}
{0 CHEMBL575576,1 1.623,2 14.051,3 1.967,4 3.867,5 143.33,6 7.325,7 0.364,8 4.411,9 4.539,10 3.972,11 3.859,12 5.45,13 3.862,14 5.014,15 5.201,16 4.363,17 4.29,18 6.045,19 4.267,20 5.278,21 5.509,22 4.439,23 4.459,24 6.213,25 4.409,26 5.346,27 5.582,28 4.414,29 4.459,30 6.362,31 4.404,32 5.259,33 5.479,34 4.395,35 4.467,36 6.268,37 4.412,38 5.263,39 5.481,40 4.428,41 4.498,42 6.207,43 4.429,44 5.297,45 5.539,46 4.375,47 4.481,48 6.238,49 4.406,50 5.254,51 5.469,52 4.353,53 4.515,54 6.223,55 4.414,56 0.1,57 1.155,58 15.886,59 6.077,60 9.801,61 8.59,62 0.764,63 1.865,64 32.789,65 10.179,66 53.273,67 15.084,68 0.653,69 2.265,70 44.272,71 12.791,72 52.437,73 20.028,74 1.005,75 2.285,76 49.148,77 13.491,78 92.542,79 20.405,80 0.794,81 2.22,82 43.582,83 12.895,84 85.509,85 19.412,86 0.623,87 2.329,88 42.37,89 13.53,90 50.379,91 20.723,92 0.878,93 2.292,94 45.493,95 12.966,96 66.608,97 20.565,98 0.643,99 2.222,100 41.688,101 15.928,102 66.646,103 22.676,104 27,105 63,106 0.251,107 0.586,108 0.781,109 0.824,110 0.824,111 0.824,112 3.693,113 0.931,114 -4.1,115 -4.05,116 -3.83,119 37,120 1,121 4,124 1,125 5,127 3,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 13,178 2,179 1,180 3,183 5,186 2,187 8,192 2,195 2,198 6,199 17,204 4,207 5,211 2,212 8,217 2,220 2,223 3,224 18,227 2,229 1,232 8,236 5,237 3,245 10,249 6,250 5,253 4,255 1,258 13,263 6,266 1,275 3229,276 26.98,277 26.98,278 26.98,279 26.98,280 26.98,281 24.961,282 38.47,283 15.728,284 27.803,285 21.632,286 21.632,287 21.632,288 21.632,289 21.632,290 18.303,291 52.171,292 7.296,293 22.822,294 4.567,295 2.404,296 1.148,297 0.87,298 0.87,299 0.87,300 4.409,306 1204,307 4,310 172.447,311 447.68,312 113.078,314 163.203,318 1.963,319 41.175,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 86,331 548,332 4.707,333 3.761,334 7.025,335 4.292,336 3.347,337 4.64,338 2.208,339 12.065,340 3.163,341 4.194,342 3.545,343 6.648,344 4,345 3.058,346 3.796,347 1.656,348 10.674,349 2.878,350 4.167,351 3.517,352 6.155,353 3.814,354 2.849,355 3.435,356 0.86,357 9.105,358 2.759,359 3.947,360 3.2,361 6.027,362 3.706,363 2.761,364 3.19,365 0.8,366 8.557,367 2.596,368 3.844,369 2.853,370 5.899,371 3.517,372 2.559,373 3.098,374 0.655,375 8.102,376 2.439,377 3.658,378 2.632,379 5.47,380 3.39,381 2.42,382 2.834,383 0.247,384 7.336,385 2.333,386 3.46,387 2.397,388 5.185,389 3.056,390 2.075,391 2.697,392 0.13,393 5.951,394 2.023,395 3.17,396 2.328,397 5.086,398 2.879,399 1.933,400 2.282,402 5.839,403 1.822,404 2.961,405 2.09,406 4.821,407 2.851,408 1.879,409 2.16,411 5.493,412 1.822,413 2.879,414 2.016,415 4.476,416 2.448,417 1.502,418 1.879,420 4.292,421 1.418,422 2.715,423 1.757,424 4.345,425 2.407,426 1.477,427 1.734,428 3.869,429 1.36,430 2.5,431 1.536,432 4.107,433 2.18,434 1.313,435 1.5,436 3.171,437 1.128,438 2.5,439 1.51,440 3.912,441 2.031,442 1.086,443 1.493,445 2.86,446 1.022,447 2.347,448 1.461,449 3.61,450 2.012,451 1.049,452 1.333,454 2.689,455 1.005,456 2.206,457 1.15,458 3.515,459 2,460 1,461 1.166,463 2.275,464 1,465 18.033,466 0.462,467 0.88,468 0.023,469 45.75,470 1.173,471 18,472 0.462,473 27.75,474 0.712,475 41.012,476 1.052,477 43.767,478 0.6,479 39.104,480 1.003,481 8.671,482 0.222,483 10.38,484 0.266,485 0.092,487 0.372,493 0.796,494 1.612,495 0.774,496 1.291,497 0.563,498 1.061,499 0.861,500 1.145,501 0.889,502 0.965,503 0.535,504 0.938,505 0.932,506 1.167,507 0.923,508 0.999,509 0.727,510 0.949,511 1.272,512 0.933,513 1.055,514 0.871,515 1.325,516 0.913,517 1.156,518 1.021,519 1.046,520 0.903,521 1.316,522 0.94,523 0.734,524 1.263,525 0.99,526 1.155,527 0.667,528 1.119,529 0.822,530 0.95,531 1.04,532 0.922,533 0.547,534 0.981,535 0.485,536 1.03,537 0.997,538 1.266,539 0.461,540 1.239,541 7,542 0.359,543 4.889,544 2.285,545 1.685,546 1.514,547 1.186,548 0.695,549 0.41,550 0.393,551 24022,552 62673,553 2.155,554 46.6,556 20,558 1,559 2,561 7,562 4,564 1.799,565 2.035,566 3.674,567 0.213,573 118.501,574 1.623,575 3.786,576 5.042,577 5.32,578 5.32,579 5.32,580 3.172,581 4.619,582 5.245,583 3.892,584 2884.29,585 9.29,586 47789,591 451.857,592 1.348,593 5.226,594 0.159,595 0.008,596 0.078,597 0.034,598 0.026,599 0.023,600 0.018,601 0.011,602 0.007,603 0.008,604 0.372,605 0.33,606 0.63,607 1.183,608 216.363,609 -0.02,610 -0.301,611 0.082,612 -0.141,613 0.003,614 -0.031,615 0.138,616 0.018,617 0.054,618 0.061,619 0.131,620 0.036,621 -0.071,622 -0.088,623 0.033,624 -0.007,625 0.008,626 0.033,627 -0.162,628 0.094,629 -0.056,630 0.084,631 -0.132,632 0.038,633 -0.182,634 0.06,635 -0.085,636 0.101,637 -0.201,638 0.038,639 0.002,640 -0.14,641 -0.068,642 -0.122,643 -0.051,644 -0.114,645 -0.028,646 0.145,647 -0.089,648 0.053,649 -0.001,650 -0.006,651 0.172,652 0.06,653 -0.095,654 -0.169,655 0.135,656 -0.186,657 1.96,658 4.995,659 0.744,660 51.83,661 1.008,662 1.14,663 2.871,664 8.241,665 0.641,666 3.807,667 4.159,668 4.5,669 4.82,670 5.094,671 5.318,672 5.557,673 5.784,674 5.986,675 6.198,676 7.982,677 0.615,678 534.69,679 3.807,680 5.371,681 6.252,682 7.154,683 8.055,684 8.968,685 9.88,686 10.8,687 11.719,688 12.645,689 11,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 73,733 18,734 1,735 44,737 78,738 27,739 11,740 2,741 4,746 6,747 8,751 1,752 1,755 7,758 7,761 13,762 14,766 2,771 2,775 2,781 34,782 11,783 2,784 12,790 8,794 0.667,795 4,803 1,806 1,808 1,811 2,812 4,813 1,815 1,837 1,839 1,840 4,844 2,848 39,854 9,855 2,856 2,858 3,859 2,870 5.5,873 2,874 1,875 1,877 19.167,878 13.533,879 8.583,880 4.704,881 3.096,882 1.344,883 0.981,884 7.604,885 12.091,886 4.007,887 4.572,888 5.163,889 5.772,890 6.337,891 6.813,892 7.348,893 7.85,894 8.239,895 8.681,896 0.9,897 67,898 14.505,900 6.304,901 7.701,902 28.036,904 23.835,905 2.201,906 85.833,910 376.675,911 118.225,912 94.281,914 72.29,917 118.225,918 448.965,919 94.281,920 19.708,921 64.786,922 37.905,923 125.01,924 35.791,925 13.366,926 364.904,928 376.675,929 212.506,930 72.29,933 249.521,934 190.772,935 11,937 86.15,938 73.794,939 50.234,941 376.675,942 166.57,943 118.225,946 376.675,947 51.565,948 74.686,949 36.022,950 122.524,951 376.675,952 166.57,953 118.225,955 0.581,956 0.351,957 0.192,958 0.101,959 32,960 14,961 0.077,962 6,963 3,964 1.172,965 4.806,966 413.126,967 0.207,968 28,969 192.131,974 26.296,975 11.278,976 5.176,977 1.726,978 164.794,979 9.452,980 14.922,984 3.059,985 2.006,986 36.022,987 661.471,988 54,993 23.928,997 -0.534,999 73.61,1000 83.222,1001 0.262,1002 0.612,1003 0.815,1004 0.859,1005 0.859,1006 0.859,1007 5.283,1008 1.933,1009 6.244,1010 5.951,1011 4.844,1012 5.26,1013 2.857,1014 7.101,1015 4.742,1016 6.466,1017 1.879,1018 7.828,1019 5.839,1020 4.443,1021 5.094,1022 2.2,1023 8.085,1024 4.301,1025 7.775,1026 1.502,1027 9.512,1028 5.493,1029 6.479,1030 7.414,1031 3.824,1032 11.225,1033 6.274,1034 9.119,1035 1.477,1036 11.256,1037 4.292,1038 6.929,1039 8.131,1040 3.876,1041 13.067,1042 6.674,1043 10.5,1044 1.313,1045 13.04,1046 3.869,1047 8.412,1048 9.943,1049 5.122,1050 15.731,1051 8.102,1052 11.905,1053 1.086,1054 14.852,1055 3.171,1056 9.249,1057 11.075,1058 5.498,1059 17.927,1060 8.88,1061 13.331,1062 1.049,1063 16.684,1064 2.86,1065 10.522,1066 12.7,1067 6.553,1068 20.443,1069 10.1,1070 3.347,1071 1,1072 18.532,1073 2.689,1074 11.537,1075 14.036,1076 7.101,1077 22.791,1078 11.055,1079 3.058,1080 12.065,1081 20.393,1082 2.275,1083 12.734,1084 15.593,1085 8.048,1086 25.265,1087 12.197,1088 2.849,1089 10.674,1090 22.265,1091 4.64,1092 13.833,1093 17.029,1094 8.696,1095 27.68,1096 13.235,1097 2.761,1098 9.105,1099 24.145,1100 3.796,1101 15.006,1102 18.562,1103 9.58,1104 30.146,1105 14.353,1106 2.559,1107 8.557,1108 26.033,1109 3.435,1110 16.145,1111 20.047,1112 10.287,1113 32.591,1114 15.432,1115 2.42,1116 8.102,1117 27.927,1118 3.19,1119 17.316,1120 21.574,1121 11.134,1122 35.059,1123 16.545,1124 2.075,1125 7.336,1126 29.827,1127 3.098,1128 18.476,1129 23.083,1130 11.875,1131 37.521,1132 17.646,1133 22544,1134 36527,1135 29.937,1136 46.762,1137 66.928,1138 68.875,1139 69.357,1140 66.241,1141 66.255,1142 80.563,1143 13.112,1144 196.385,1145 62.929,1146 5.707,1147 5.761,1148 6.797,1149 5.396,1150 5.347,1151 7.64,1152 3.912,1153 19.768,1154 5.163,1155 18.046,1156 1.521,1157 1.565,1158 1.576,1159 1.505,1160 1.506,1161 1.831,1162 0.298,1163 4.463,1164 1.43,1165 4.152,1166 4.203,1167 4.125,1168 3.995,1169 7.434,1170 4.02,1171 3.907,1172 3.961,1173 3.846,1174 3.812,1175 7.43,1176 3.815,1177 3.903,1178 3.94,1179 3.809,1180 3.739,1181 5.136,1182 3.747,1183 3.788,1184 3.841,1185 3.703,1186 3.616,1187 4.752,1188 3.625,1189 3.614,1190 3.686,1191 3.512,1192 3.376,1193 4.647,1194 3.39,1195 3.43,1196 3.462,1197 3.346,1198 3.13,1199 4.521,1200 3.18,1201 3.294,1202 3.36,1203 3.181,1204 3.065,1205 4.476,1206 3.09,1207 3.16,1208 3.232,1209 3.041,1210 2.951,1211 4.22,1212 2.926,1213 0.107,1214 0.085,1215 0.16,1216 0.098,1217 0.076,1218 4.707,1219 0.105,1220 3.761,1221 0.05,1222 7.025,1223 0.274,1224 4.292,1225 0.072,1226 3.347,1227 4.64,1228 2.208,1229 12.065,1230 3.163,1231 1.954,1232 1.923,1233 2.048,1234 2.099,1235 1.409,1236 2.081,1237 1.847,1238 1.797,1239 2.012,1240 2.021,1241 1.255,1242 2.019,1243 1.766,1244 1.722,1245 1.886,1246 1.944,1247 1.22,1248 1.93,1249 1.604,1250 1.543,1251 1.86,1252 1.827,1253 1.106,1254 1.827,1255 1.575,1256 1.525,1257 1.843,1258 1.765,1259 0.989,1260 1.798,1261 1.546,1262 1.472,1263 1.706,1264 1.76,1265 0.881,1266 1.752,1267 1.339,1268 1.291,1269 1.602,1270 1.668,1271 0.825,1272 1.631,1273 1.212,1274 1.15,1275 1.513,1276 1.522,1277 0.63,1278 1.505,1279 4.489,1281 5.832,1282 3.045,1283 7.375,1284 5.476,1285 9.01,1286 7.618,1287 10.696,1289 3.29,1295 6.841,1296 5.57,1297 10.751,1299 0.68,1300 4.143,1305 44.879,1306 118.501,1307 276.356,1308 368.083,1309 388.347,1310 388.347,1311 388.347,1312 69.081,1313 8.995,1314 126.74,1315 126.74,1316 34,1317 13.151,1318 4.248,1319 3.459,1320 54.89,1321 181,1322 241,1323 0.146,1324 269.396,1325 468.2,1326 649.086,1327 104706,1329 26.932,1330 0.691,1331 0.572,1332 26.932,1333 22.299,1334 19.05,1335 0.433,1336 0.31,1337 13.382,1338 18.028,1339 13.145,1340 10.798,1341 19.05,1342 13.649,1343 17.041,1344 0.27,1345 0.163,1346 17.041,1347 10.277,1348 15.22,1349 0.171,1350 0.089,1351 15.22,1352 7.9,1353 13.158,1354 0.107,1355 0.048,1356 13.158,1357 5.939,1358 10.613,1359 0.066,1360 0.026,1361 10.613,1362 4.163,1363 0.227,1364 121.318,1365 0.183,1366 34.878,1367 0.405,1368 214,1369 637.479,1370 242.695,1371 598.378,1372 825.72,1373 564,1374 259,1375 617.536,1376 288.867,1377 615.294,1378 914.69,1379 579,1380 5.255}
{0 CHEMBL575710,1 1.574,2 12.722,3 2.737,4 7.49,5 135.289,6 7.572,7 0.537,8 4.282,9 4.399,10 3.876,11 3.802,12 5.359,13 3.797,14 4.848,15 5.02,16 4.251,17 4.213,18 5.882,19 4.191,20 5.125,21 5.341,22 4.33,23 4.36,24 6.118,25 4.309,26 5.172,27 5.404,28 4.313,29 4.356,30 6.203,31 4.3,32 5.127,33 5.338,34 4.316,35 4.382,36 6.17,37 4.321,38 5.164,39 5.384,40 4.298,41 4.409,42 6.107,43 4.337,44 5.178,45 5.406,46 4.265,47 4.391,48 6.131,49 4.304,50 5.166,51 5.398,52 4.194,53 4.38,54 6.112,55 4.275,56 0.069,57 0.997,58 12.875,59 5.64,60 9.872,61 7.301,62 0.368,63 1.657,64 25.602,65 9.173,66 26.839,67 12.386,68 0.482,69 2.043,70 36.604,71 12.104,72 46.621,73 17.131,74 0.667,75 2.12,76 39.521,77 12.306,78 68.66,79 17.409,80 0.596,81 2.052,82 36.414,83 12.251,84 73.027,85 17.224,86 0.491,87 2.17,88 37.431,89 12.321,90 45.623,91 17.724,92 0.698,93 2.113,94 38.978,95 12.931,96 54.445,97 18.736,98 0.459,99 2.017,100 38.579,101 14.377,102 55.182,103 20.213,104 5,105 58,106 0.248,107 0.579,108 0.726,109 0.807,110 0.828,111 0.828,112 3.616,113 0.907,114 -5.18,115 -5.07,116 -4.74,119 42.2,121 2,125 6,127 1,142 9,143 3,144 1,145 1,147 1,149 1,158 1,161 1,166 1,172 10,174 4,175 13,180 2,183 11,186 2,187 10,192 2,195 5,198 6,199 12,204 1,207 5,211 2,212 10,215 2,220 6,223 2,224 10,232 7,236 4,237 7,240 2,242 1,245 7,249 3,250 10,253 1,258 3,263 10,268 2,271 4,275 2560,276 24.999,277 24.999,278 24.999,279 24.999,280 24.999,281 22.395,282 27.072,283 14.808,284 25.586,285 20.279,286 20.279,287 20.279,288 20.279,289 20.279,290 16.263,291 34.223,292 7.066,293 21.236,294 4.426,295 2.332,296 1.395,297 0.887,298 0.75,299 0.75,300 4.336,305 1,306 1026,307 2.915,310 80.693,311 543.302,314 146.966,318 1.991,319 35.593,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 78,331 458,332 4.694,333 3.694,334 6.903,335 4.238,336 3.289,337 4.638,338 1.2,339 11.617,340 3.121,341 4.241,342 3.378,343 6.399,344 3.958,345 2.98,346 3.81,347 0.86,348 9.722,349 2.917,350 4.187,351 3.028,352 6.319,353 3.803,354 2.835,355 3.716,356 0.8,357 9.531,358 2.748,359 3.982,360 2.875,361 6.124,362 3.704,363 2.755,364 3.353,365 0.293,366 9.006,367 2.609,368 3.604,369 2.57,370 5.582,371 3.326,372 2.371,373 2.996,375 7.199,376 2.253,377 3.559,378 2.405,379 5.231,380 3.172,381 2.223,382 2.792,384 6.306,385 2.101,386 3.357,387 2.324,388 5.05,389 3.067,390 2.108,391 2.487,393 6.072,394 2.017,395 3.003,396 2.168,397 4.768,398 2.696,399 1.761,400 2.14,402 4.858,403 1.647,404 2.937,405 2.042,406 4.326,407 2.475,408 1.502,409 2.086,411 4.04,412 1.45,413 2.823,414 1.533,415 4.133,416 2.423,417 1.47,418 1.91,420 3.448,421 1.396,422 2.653,423 1.528,424 3.85,425 2.171,426 1.258,427 1.719,428 3.063,429 1.154,430 2.52,431 1.323,432 3.751,433 2.15,434 1.178,435 1.515,436 2.889,437 1.13,438 2.5,439 1.256,440 3.476,441 2,442 1.044,443 1.5,445 2.528,446 1,447 2.418,448 1.193,449 3.416,450 1.999,451 1,452 1.392,454 2.275,455 0.99,456 2.228,457 1.077,458 3.414,459 1.984,460 1,461 1.056,463 2.136,464 0.983,465 16.9,466 0.469,467 0.76,468 0.021,469 47.25,470 1.313,471 22.5,472 0.625,473 24.75,474 0.688,475 32.518,476 0.903,477 38.3,478 0.598,479 38.229,480 1.062,481 9.202,482 0.256,483 8.468,484 0.235,485 0.039,487 0.337,493 0.804,494 1.394,495 0.749,496 1.124,497 0.69,498 0.961,499 1.005,500 1.145,501 0.918,502 0.98,503 0.628,504 0.936,505 1.026,506 1.167,507 0.944,508 0.987,509 0.808,510 0.951,511 1.118,512 0.927,513 1.009,514 0.879,515 1.339,516 0.907,517 0.988,518 1.092,519 1.02,520 0.982,521 1.201,522 0.997,523 0.935,524 1.151,525 1.113,526 1.073,527 0.754,528 1.094,529 0.771,530 1.02,531 1.064,532 1.032,533 0.6,534 1.072,535 0.691,536 1.016,537 1.005,538 1.156,539 0.638,540 1.134,541 5.5,542 0.234,543 4.222,544 2.222,545 1.756,546 1.344,547 0.934,548 0.573,549 0.351,550 0.264,551 20386,552 51567,553 2.203,554 43.8,556 22,558 1,559 1,562 4,564 1.778,565 2.118,566 3.599,567 -0.355,573 100.747,574 1.574,575 3.668,576 4.605,577 5.113,578 5.25,579 5.25,580 3.055,581 4.76,582 5.137,583 3.805,584 2397.22,585 9.053,586 37496.9,591 384,592 1.194,593 5.125,594 0.134,595 0.007,596 0.073,597 0.036,598 0.03,599 0.022,600 0.016,601 0.01,602 0.007,603 0.006,604 0.342,605 0.17,606 0.75,607 0.375,608 194.967,609 -0.006,610 -0.207,611 0.073,612 -0.077,613 -0.029,614 -0.009,615 -0.03,616 -0.008,617 -0.01,618 -0.004,619 0.023,620 -0.007,621 -0.062,622 -0.119,623 0.02,624 -0.022,625 0.021,626 0.006,627 -0.074,628 0.126,629 -0.018,630 0.053,631 -0.107,632 0.031,633 -0.029,634 -0.033,635 -0.065,636 -0.014,637 -0.096,638 -0.043,639 -0.109,640 -0.063,641 -0.171,642 -0.12,643 -0.102,644 -0.145,645 0.089,646 0.028,647 -0.104,648 -0.072,649 0.034,650 -0.108,651 0.081,652 -0.033,653 -0.051,654 -0.146,655 0.106,656 -0.122,657 1.595,658 5.901,659 0.917,660 42.611,661 1.005,662 1.128,663 3.946,664 15.568,665 0.668,666 3.738,667 4.078,668 4.407,669 4.71,670 4.99,671 5.136,672 5.389,673 5.587,674 5.753,675 5.911,676 7.576,677 0.642,678 484.61,679 3.738,680 5.293,681 6.168,682 7.059,683 7.951,684 8.851,685 9.752,686 10.659,687 11.567,688 12.478,689 9.4,695 1,696 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,719 1,726 1,728 1,731 64,733 23,734 2,735 41,737 69,738 27,739 17,740 3,741 9,742 1,746 6,747 7,755 3,758 3,761 18,762 9,766 1,771 1,775 1,781 28,782 8,783 1,784 9,790 6,794 0.833,795 3,803 1,806 1,811 1,812 5,815 1,839 1,840 5,848 36,853 1,854 8,856 1,858 1,859 2,870 4.7,872 1,873 1,874 1,877 17,878 11.4,879 7.806,880 4.015,881 3.729,882 1.427,883 1,884 6.405,885 12.458,886 3.989,887 4.588,888 5.217,889 5.827,890 6.389,891 6.762,892 7.275,893 7.726,894 8.082,895 8.468,896 1,897 61,898 13.378,900 5.851,901 7.671,902 25.84,904 21.967,905 2.171,906 78.167,910 317.82,911 137.03,912 58.259,914 78.828,917 137.03,918 396.648,919 58.259,921 25.801,922 85.286,923 147.253,924 25.22,925 2.328,926 306.049,928 317.82,929 195.289,930 78.828,933 273.063,934 114.913,935 11,937 38.34,938 104.387,939 50.234,941 317.82,942 137.087,943 137.03,946 317.82,947 42.697,948 102.359,950 129.062,951 317.82,952 137.087,953 137.03,955 0.581,956 0.347,957 0.193,958 0.108,959 30,960 12,961 0.058,962 4,963 1,964 1.061,965 4.649,966 369.167,967 0.061,968 33,969 174.117,974 23.109,975 9.978,976 4.633,977 1.682,978 135.311,979 18.306,980 14.582,984 3.039,985 1.998,986 42.683,987 591.937,988 53,993 12.901,997 0.072,999 64.312,1000 72.185,1001 0.262,1002 0.611,1003 0.767,1004 0.852,1005 0.875,1006 0.875,1007 5.239,1008 1.761,1009 6.146,1010 6.072,1011 4.762,1012 5.276,1013 1.844,1014 6.982,1015 4.675,1016 6.43,1017 1.502,1018 7.715,1019 4.858,1020 4.29,1021 5.027,1022 0.57,1023 7.919,1024 4.157,1025 7.734,1026 1.47,1027 9.387,1028 4.04,1029 6.372,1030 7.473,1031 1.806,1032 11.065,1033 6.201,1034 9.077,1035 1.258,1036 11.123,1037 3.448,1038 6.77,1039 8.129,1040 0.801,1041 12.861,1042 6.555,1043 10.457,1044 1.178,1045 12.899,1046 3.063,1047 8.283,1048 10.02,1049 1.913,1050 15.514,1051 8.03,1052 11.864,1053 1.044,1054 14.704,1055 2.889,1056 9.08,1057 11.109,1058 1.074,1059 17.656,1060 8.782,1061 13.292,1062 1,1063 16.529,1064 2.528,1065 10.366,1066 12.774,1067 2.092,1068 20.146,1069 10.028,1070 3.289,1071 1,1072 18.369,1073 2.275,1074 11.352,1075 14.081,1076 1.404,1077 22.44,1078 10.967,1079 2.98,1080 11.617,1081 20.219,1082 2.136,1083 12.548,1084 15.652,1085 2.32,1086 24.879,1087 12.121,1088 2.835,1089 9.722,1090 22.079,1091 4.638,1092 13.623,1093 17.069,1094 1.768,1095 27.244,1096 13.147,1097 2.755,1098 9.531,1099 23.946,1100 3.81,1101 14.788,1102 18.606,1103 2.581,1104 29.671,1105 14.266,1106 2.371,1107 9.006,1108 25.819,1109 3.716,1110 15.907,1111 20.078,1112 2.15,1113 32.071,1114 15.335,1115 2.223,1116 7.199,1117 27.698,1118 3.353,1119 17.064,1120 21.604,1121 2.867,1122 34.5,1123 16.444,1124 2.108,1125 6.306,1126 29.58,1127 2.996,1128 18.206,1129 23.104,1130 2.538,1131 36.919,1132 17.534,1133 18631,1134 29785,1135 28.433,1136 42.773,1137 62.819,1138 63.579,1139 63.265,1140 62.415,1141 62.315,1142 79.821,1143 6.306,1144 180.83,1145 59.616,1146 5.694,1147 5.694,1148 6.705,1149 5.342,1150 5.289,1151 7.638,1152 2.293,1153 19.167,1154 5.121,1155 11.557,1156 1.532,1157 1.551,1158 1.543,1159 1.522,1160 1.52,1161 1.947,1162 0.154,1163 4.41,1164 1.454,1165 4.141,1166 4.192,1167 4.117,1168 3.983,1169 7.428,1170 4.009,1171 3.936,1172 3.968,1173 3.876,1174 3.853,1175 6.471,1176 3.853,1177 3.875,1178 3.905,1179 3.819,1180 3.79,1181 5.131,1182 3.794,1183 3.78,1184 3.835,1185 3.674,1186 3.624,1187 4.728,1188 3.627,1189 3.691,1190 3.748,1191 3.578,1192 3.482,1193 4.677,1194 3.498,1195 3.305,1196 3.357,1197 3.257,1198 3.081,1199 4.616,1200 3.116,1201 3.167,1202 3.207,1203 3.103,1204 2.99,1205 4.429,1206 3.011,1207 3.111,1208 3.206,1209 2.884,1210 2.941,1211 4.205,1212 2.91,1213 0.114,1214 0.09,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.694,1221 0.029,1222 6.903,1223 0.283,1224 4.238,1225 0.076,1226 3.289,1227 4.638,1228 1.2,1229 11.617,1230 3.121,1231 1.951,1232 1.92,1233 2.063,1234 2.104,1235 1.412,1236 2.088,1237 1.915,1238 1.888,1239 2.017,1240 2.04,1241 1.219,1242 2.035,1243 1.822,1244 1.778,1245 1.983,1246 1.949,1247 1.082,1248 1.961,1249 1.765,1250 1.716,1251 1.929,1252 1.945,1253 1.071,1254 1.944,1255 1.579,1256 1.531,1257 1.715,1258 1.774,1259 0.874,1260 1.76,1261 1.297,1262 1.231,1263 1.513,1264 1.596,1265 0.825,1266 1.551,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.432,1276 1.376,1277 0.618,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.292,1284 4.727,1285 8.92,1286 6.862,1287 10.595,1294 10.044,1295 5.722,1297 5.554,1299 0.131,1300 4.136,1305 41.068,1306 100.747,1307 234.765,1308 294.716,1309 327.245,1310 336,1311 336,1312 59.273,1313 8.729,1314 96.61,1315 96.61,1316 35,1317 12.994,1318 4.585,1319 3.7,1320 48.882,1321 159,1322 187,1323 0.145,1324 245.956,1325 421.23,1326 591.894,1327 80773,1329 24.485,1330 0.68,1331 0.554,1332 24.485,1333 19.955,1334 17.67,1335 0.431,1336 0.302,1337 12.195,1338 16.921,1339 12.021,1340 9.828,1341 17.67,1342 12.389,1343 15.826,1344 0.273,1345 0.159,1346 15.826,1347 9.236,1348 14.091,1349 0.174,1350 0.086,1351 14.091,1352 6.967,1353 12.109,1354 0.11,1355 0.046,1356 12.109,1357 5.045,1358 10.123,1359 0.069,1360 0.025,1361 10.123,1362 3.601,1363 0.227,1364 111.132,1365 0.188,1366 32.755,1367 0.403,1368 198,1369 559.491,1370 218.768,1371 536.623,1372 746.27,1373 506,1374 238,1375 561.737,1376 261.214,1377 563.291,1378 835.5,1379 533,1380 7.301}
{0 CHEMBL575929,1 1.464,2 13.763,3 3.85,4 14.823,5 147.685,6 7.329,7 0.614,8 4.352,9 4.476,10 3.934,11 3.901,12 5.359,13 3.882,14 4.93,15 5.112,16 4.3,17 4.32,18 5.877,19 4.282,20 5.197,21 5.422,22 4.361,23 4.476,24 6.072,25 4.398,26 5.258,27 5.514,28 4.312,29 4.479,30 6.099,31 4.38,32 5.211,33 5.45,34 4.329,35 4.482,36 6.065,37 4.389,38 5.227,39 5.459,40 4.351,41 4.48,42 6.112,43 4.398,44 5.227,45 5.461,46 4.309,47 4.468,48 6.098,49 4.378,50 5.223,51 5.46,52 4.252,53 4.491,54 6.029,55 4.374,56 0.053,57 1.09,58 14.432,59 6.092,60 9.162,61 8.267,62 0.326,63 1.839,64 28.698,65 10.01,66 25.773,67 13.93,68 0.411,69 2.279,70 39.504,71 13.495,72 37.214,73 19.569,74 0.536,75 2.392,76 43.373,77 14.436,78 42.409,79 21.35,80 0.363,81 2.279,82 40.38,83 14.329,84 38.929,85 20.987,86 0.43,87 2.363,88 40.814,89 13.446,90 42.082,91 19.683,92 0.546,93 2.306,94 41.283,95 13.488,96 46.288,97 19.782,98 0.381,99 2.264,100 40.746,101 15.305,102 36.307,103 21.92,105 62,106 0.226,107 0.546,108 0.738,109 0.826,110 0.832,111 0.832,112 3.668,113 0.921,114 -5.49,115 -5.37,116 -5.01,119 43.5,121 2,125 7,127 1,142 10,143 4,145 2,146 1,147 1,149 1,161 1,166 1,172 12,174 3,175 15,183 13,186 2,187 11,195 8,198 6,199 11,207 8,211 2,212 9,220 7,223 3,224 14,232 8,236 3,237 8,245 7,249 4,250 12,258 6,262 1,263 12,271 4,275 3076,276 26.808,277 26.808,278 26.808,279 26.808,280 26.808,281 23.781,282 27.006,283 15.998,284 27.435,285 21.822,286 21.822,287 21.822,288 21.822,289 21.822,290 17.24,291 38.09,292 7.69,293 22.853,294 4.644,295 2.575,296 1.333,297 0.765,298 0.725,299 0.725,300 4.402,306 1195,307 2.646,310 82.52,311 639.275,314 149.082,315 165.778,318 2.104,319 23.629,322 0.5,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.72,330 80.5,331 523,332 4.696,333 3.381,334 6.903,335 4.239,336 3.29,337 4.641,338 0.916,339 11.618,340 3.124,341 4.423,342 3.077,343 6.336,344 3.946,345 2.964,346 4.345,347 0.86,348 9.647,349 2.912,350 4.047,351 2.967,352 6.259,353 3.777,354 2.834,355 3.529,356 0.8,357 9.435,358 2.676,359 3.936,360 2.946,361 5.967,362 3.607,363 2.649,364 3.456,365 0.172,366 8.458,367 2.55,368 3.897,369 2.632,370 5.636,371 3.529,372 2.569,373 3.284,375 7.741,376 2.467,377 3.524,378 2.484,379 5.516,380 3.314,381 2.349,382 2.606,384 7.11,385 2.248,386 3.259,387 2.356,388 5.044,389 3.043,390 2.1,391 2.427,393 6.052,394 1.971,395 3.118,396 2.121,397 4.746,398 2.654,399 1.735,400 2.389,402 4.821,403 1.599,404 3.087,405 1.618,406 4.522,407 2.606,408 1.618,409 2.339,411 4.574,412 1.592,413 2.943,414 1.595,415 4.357,416 2.539,417 1.589,418 2.054,420 4.191,421 1.505,422 2.843,423 1.574,424 4.083,425 2.415,426 1.428,427 2.004,428 3.226,429 1.406,430 2.81,431 1.487,432 3.769,433 2.313,434 1.347,435 1.901,436 3.019,437 1.299,438 2.531,439 1.342,440 3.605,441 2.151,442 1.248,443 1.543,445 2.986,446 1.119,447 2.5,448 1.256,449 3.587,450 2.039,451 1.092,452 1.5,454 2.837,455 1.029,456 2.388,457 1.106,458 3.424,459 2,460 1,461 1.377,463 2.275,464 1,465 18.133,466 0.477,467 0.701,468 0.018,469 50.75,470 1.336,471 24.5,472 0.645,473 26.25,474 0.691,475 35.042,476 0.922,477 39.467,478 0.572,479 39.173,480 1.031,481 9.764,482 0.257,483 9.051,484 0.238,487 0.314,493 0.819,494 1.387,495 0.763,496 1.118,497 0.722,498 0.965,499 1.365,500 1.111,501 0.975,502 0.936,503 1.012,504 0.916,505 1.124,506 1.151,507 0.994,508 0.991,509 0.884,510 0.978,511 0.901,512 0.899,513 0.976,514 0.891,515 1.05,516 0.923,517 0.819,518 1.085,519 0.923,520 0.991,521 1.024,522 0.966,523 1.144,524 1.1,525 1.076,526 1.025,527 1.135,528 1.028,529 1.172,530 1.044,531 1.109,532 0.992,533 1.197,534 1.025,535 0.792,536 0.992,537 1.046,538 1.096,539 0.848,540 1.097,541 5.5,542 0.172,543 3.778,544 1.66,545 1.929,546 1.302,547 0.891,548 0.562,549 0.41,550 0.294,551 24927,552 54895,553 2.273,554 44.9,556 25,558 2,562 4,564 1.791,565 2.235,566 3.696,567 -0.784,573 101.05,574 1.464,575 3.533,576 4.776,577 5.344,578 5.384,579 5.384,580 3.217,581 4.754,582 5.212,583 3.891,584 2735.3,585 9.208,586 44604.9,591 421.488,592 0.9,593 5.22,594 0.125,595 0.004,596 0.061,597 0.026,598 0.032,599 0.021,600 0.014,601 0.01,602 0.007,603 0.006,604 0.306,605 0.17,606 0.63,608 209.619,609 0.084,610 -0.222,611 0.1,612 -0.097,613 0.103,614 -0.015,615 -0.09,616 0.012,617 -0.027,618 0.023,619 -0.008,620 0.005,621 -0.047,622 -0.106,623 -0.019,624 -0.026,625 0.076,626 -0.024,627 0.04,628 0.134,629 0.015,630 0.057,631 -0.027,632 0.038,633 0.042,634 -0.067,635 0.045,636 -0.01,637 -0.047,638 0.014,639 -0.079,640 -0.032,641 -0.097,642 -0.082,643 -0.096,644 -0.088,645 -0.035,646 0.006,647 -0.122,648 -0.045,649 -0.11,650 -0.082,651 0.035,652 0.007,653 -0.085,654 -0.097,655 -0.009,656 -0.104,657 1.013,658 2.132,659 0.974,660 48.886,661 0.995,662 1.126,663 4.258,664 18.13,665 0.676,666 3.807,667 4.143,668 4.477,669 4.796,670 5.1,671 5.242,672 5.493,673 5.72,674 5.924,675 6.096,676 7.949,677 0.64,678 505.68,679 3.807,680 5.361,681 6.236,682 7.127,683 8.019,684 8.919,685 9.819,686 10.726,687 11.633,688 12.544,689 10.1,692 1,695 1,697 1,699 4,703 4,704 12,705 4,709 4,710 1,711 27,726 1,731 69,733 27,734 2,735 44,737 75,738 30,739 20,740 4,741 8,746 7,747 9,755 3,758 3,761 20,762 10,781 31,782 7,784 8,790 7,794 0.714,795 1,803 1,805 1,806 1,811 1,812 6,815 1,816 1,836 1,839 1,840 5,848 38,854 9,856 1,858 1,859 2,870 1.4,874 1,877 17,878 12.4,879 8.194,880 4.409,881 4.95,882 1.538,883 1.042,884 6.403,885 14.144,886 4.069,887 4.694,888 5.349,889 5.996,890 6.604,891 7.005,892 7.536,893 8.053,894 8.521,895 8.946,896 1,897 64,898 14.08,900 6.098,901 7.439,902 27.862,904 23.923,905 1.939,906 73.667,910 364.904,911 157.672,912 75.045,914 11,917 157.672,918 375.904,919 75.045,921 24.782,922 94.762,923 103.277,924 42.109,925 2.328,926 341.362,928 364.904,929 232.717,930 11,933 320.148,934 47.084,935 11,937 51.638,938 111.732,939 67.02,941 364.904,942 86.045,943 157.672,946 364.904,947 44.815,948 120.883,950 78.019,951 364.904,952 86.045,953 157.672,955 0.579,956 0.344,957 0.195,958 0.111,959 33,960 12,961 0.067,962 5,963 2,964 1.108,965 4.918,966 402.525,967 0.108,968 37,969 187.421,974 23.575,975 10.32,976 4.761,977 3.994,978 84.268,979 24.827,980 19.595,984 4.043,985 2.16,987 608.621,988 57.5,999 68.643,1000 77.68,1001 0.24,1002 0.578,1003 0.782,1004 0.875,1005 0.881,1006 0.881,1007 5.312,1008 1.735,1009 6.205,1010 6.052,1011 4.828,1012 5.382,1013 1.598,1014 7.029,1015 4.741,1016 6.503,1017 1.618,1018 7.76,1019 4.821,1020 4.29,1021 5.121,1022 0.57,1023 7.928,1024 4.159,1025 7.806,1026 1.589,1027 9.418,1028 4.574,1029 6.425,1030 7.623,1031 1.256,1032 11.075,1033 6.254,1034 9.148,1035 1.428,1036 11.14,1037 4.191,1038 6.77,1039 8.287,1040 0.581,1041 12.848,1042 6.552,1043 10.529,1044 1.347,1045 12.905,1046 3.226,1047 8.315,1048 10.212,1049 1.023,1050 15.494,1051 8.06,1052 11.937,1053 1.248,1054 14.698,1055 3.019,1056 9.077,1057 11.318,1058 0.515,1059 17.627,1060 8.774,1061 13.367,1062 1.092,1063 16.512,1064 2.986,1065 10.378,1066 13.001,1067 0.84,1068 20.113,1069 10.036,1070 3.29,1071 1,1072 18.343,1073 2.837,1074 11.343,1075 14.323,1076 0.441,1077 22.406,1078 10.952,1079 2.964,1080 11.618,1081 20.185,1082 2.275,1083 12.545,1084 15.904,1085 0.689,1086 24.844,1087 12.112,1088 2.834,1089 9.647,1090 22.038,1091 4.641,1092 13.609,1093 17.328,1094 0.373,1095 27.211,1096 13.126,1097 2.649,1098 9.435,1099 23.899,1100 4.345,1101 14.776,1102 18.867,1103 0.564,1104 29.639,1105 14.247,1106 2.569,1107 8.458,1108 25.767,1109 3.529,1110 15.889,1111 20.34,1112 0.314,1113 32.043,1114 15.31,1115 2.349,1116 7.741,1117 27.641,1118 3.456,1119 17.047,1120 21.864,1121 0.461,1122 34.474,1123 16.42,1124 2.1,1125 7.11,1126 29.521,1127 3.284,1128 18.187,1129 23.361,1130 0.264,1131 36.897,1132 17.507,1133 22244,1134 33214,1135 31.205,1136 46.631,1137 66.665,1138 66.818,1139 66.682,1140 66.54,1141 66.494,1142 86.714,1143 5.498,1144 191.817,1145 63.569,1146 5.696,1147 5.381,1148 6.705,1149 5.343,1150 5.29,1151 7.641,1152 1.776,1153 19.166,1154 5.124,1156 1.515,1157 1.519,1158 1.515,1159 1.512,1160 1.511,1161 1.971,1162 0.125,1163 4.359,1164 1.445,1165 4.159,1166 4.206,1167 4.132,1168 4.039,1169 5.145,1170 4.052,1171 4.02,1172 4.055,1173 3.981,1174 3.906,1175 4.974,1176 3.923,1177 3.927,1178 3.968,1179 3.852,1180 3.849,1181 4.755,1182 3.846,1183 3.787,1184 3.844,1185 3.68,1186 3.632,1187 4.632,1188 3.633,1189 3.696,1190 3.754,1191 3.58,1192 3.487,1193 4.566,1194 3.502,1195 3.486,1196 3.534,1197 3.419,1198 3.38,1199 4.286,1200 3.381,1201 3.253,1202 3.323,1203 3.153,1204 3.072,1205 4.226,1206 3.076,1207 3.111,1208 3.206,1209 3.002,1210 2.951,1211 3.989,1212 2.96,1213 0.107,1214 0.077,1215 0.157,1216 0.096,1217 0.075,1218 4.696,1219 0.105,1220 3.381,1221 0.021,1222 6.903,1223 0.264,1224 4.239,1225 0.071,1226 3.29,1227 4.641,1228 0.916,1229 11.618,1230 3.124,1231 2.048,1232 2.023,1233 2.118,1234 2.143,1235 1.427,1236 2.135,1237 1.932,1238 1.895,1239 2.079,1240 2.075,1241 1.237,1242 2.078,1243 1.861,1244 1.819,1245 1.995,1246 2.012,1247 1.203,1248 2.002,1249 1.782,1250 1.727,1251 1.944,1252 1.95,1253 1.14,1254 1.96,1255 1.604,1256 1.553,1257 1.754,1258 1.814,1259 0.903,1260 1.8,1261 1.434,1262 1.397,1263 1.593,1264 1.601,1265 0.825,1266 1.57,1267 1.315,1268 1.235,1269 1.514,1270 1.548,1271 0.825,1272 1.565,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.732,1278 1.429,1279 4.489,1281 5.82,1282 2.398,1283 7.359,1284 4.727,1285 8.989,1286 6.862,1287 10.667,1295 8.242,1297 5.632,1299 0.32,1300 4.855,1305 44.186,1306 101.05,1307 243.784,1308 329.514,1309 368.733,1310 371.488,1311 371.488,1312 47.462,1313 9.194,1314 72.2,1315 72.2,1316 41,1317 13.059,1318 4.807,1319 3.858,1320 48.455,1321 174,1322 219,1323 0.13,1324 263.214,1325 440.65,1326 634.003,1327 145190,1329 25.313,1330 0.666,1331 0.563,1332 25.313,1333 21.408,1334 18.815,1335 0.428,1336 0.307,1337 13.327,1338 18.128,1339 13.102,1340 10.73,1341 18.815,1342 13.511,1343 16.761,1344 0.27,1345 0.165,1346 16.761,1347 10.2,1348 15.024,1349 0.173,1350 0.089,1351 15.024,1352 7.757,1353 13.141,1354 0.11,1355 0.048,1356 13.141,1357 5.702,1358 11.37,1359 0.07,1360 0.026,1361 11.37,1362 4.188,1363 0.203,1364 117.338,1365 0.179,1366 34.347,1367 0.358,1368 212,1369 529.251,1370 229.838,1371 516.425,1372 736.72,1373 492,1374 255,1375 566.831,1376 275.892,1377 573.236,1378 850.8,1379 543,1380 6.332}
{0 CHEMBL575935,1 1.489,2 12.618,3 2.513,4 6.316,5 131.606,6 7.232,7 0.564,8 4.259,9 4.388,10 3.828,11 3.778,12 5.261,13 3.761,14 4.841,15 5.032,16 4.178,17 4.188,18 5.774,19 4.151,20 5.099,21 5.332,22 4.228,23 4.338,24 5.953,25 4.259,26 5.163,27 5.428,28 4.203,29 4.346,30 6,31 4.248,32 5.112,33 5.353,34 4.233,35 4.369,36 5.962,37 4.28,38 5.144,39 5.377,40 4.244,41 4.385,42 6.013,43 4.3,44 5.153,45 5.395,46 4.173,47 4.352,48 6.018,49 4.252,50 5.127,51 5.382,52 4.029,53 4.321,54 5.918,55 4.189,56 0.045,57 1.012,58 13.568,59 5.465,60 8.715,61 7.61,62 0.327,63 1.669,64 27.022,65 8.798,66 24.629,67 12.686,68 0.393,69 2.027,70 36.496,71 11.799,72 33.466,73 17.696,74 0.566,75 2.121,76 40.101,77 12.679,78 41.683,79 19.261,80 0.347,81 2.045,82 36.911,83 12.523,84 35.278,85 18.813,86 0.41,87 2.139,88 37.911,89 12.139,90 35.814,91 18.205,92 0.546,93 2.078,94 39.028,95 12.34,96 45.003,97 18.611,98 0.356,99 1.97,100 38.106,101 13.289,102 35.982,103 19.675,105 54,106 0.236,107 0.558,108 0.744,109 0.815,110 0.822,111 0.822,112 3.561,113 0.93,114 -4.84,115 -4.75,116 -4.46,119 41.3,121 2,125 7,127 1,142 7,143 3,145 3,147 1,149 1,161 1,166 1,172 8,174 3,175 14,183 8,186 2,187 7,195 3,198 8,199 8,207 5,211 2,212 5,220 5,223 3,224 10,232 7,236 4,237 5,245 4,249 2,250 9,258 3,262 1,263 9,271 2,275 2232,276 23.999,277 23.999,278 23.999,279 23.999,280 23.999,281 21.487,282 27.006,283 14.502,284 24.628,285 19.351,286 19.351,287 19.351,288 19.351,289 19.351,290 15.595,291 38.09,292 6.982,293 20.375,294 4.488,295 2.462,296 1.288,297 0.837,298 0.794,299 0.794,300 4.287,305 1,306 970,307 2.449,310 74.5,311 505.78,314 136.153,318 2.016,319 21.745,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 72.5,331 429,332 4.693,333 3.38,334 6.903,335 4.237,336 3.288,337 4.638,338 0.916,339 11.616,340 3.119,341 4.14,342 3.076,343 6.329,344 3.807,345 2.859,346 3.717,347 0.86,348 9.593,349 2.721,350 3.978,351 2.948,352 6.099,353 3.688,354 2.725,355 3.457,356 0.8,357 8.899,358 2.623,359 3.927,360 2.783,361 5.637,362 3.606,363 2.649,364 3.329,365 0.172,366 7.742,367 2.542,368 3.526,369 2.515,370 5.516,371 3.319,372 2.355,373 2.7,375 7.114,376 2.25,377 3.325,378 2.365,379 5.044,380 3.048,381 2.107,382 2.602,384 6.052,385 1.975,386 3.244,387 2.124,388 4.747,389 2.769,390 1.823,391 2.344,393 4.823,394 1.721,395 2.944,396 1.825,397 4.524,398 2.652,399 1.732,400 2.052,402 4.66,403 1.591,404 2.824,405 1.578,406 4.083,407 2.415,408 1.428,409 1.938,411 3.226,412 1.406,413 2.733,414 1.487,415 3.803,416 2.224,417 1.292,418 1.821,420 3.053,421 1.204,422 2.5,423 1.263,424 3.587,425 2.146,426 1.225,427 1.5,428 2.984,429 1.118,430 2.5,431 1.256,432 3.51,433 2,434 1.042,435 1.5,436 2.649,437 1,438 2.488,439 1.077,440 3.414,441 1.988,442 1,443 1.483,445 2.275,446 0.983,447 2.38,448 1.066,449 3.386,450 1.984,451 1,452 1.368,454 2.136,455 0.981,456 2.003,457 1,458 3.247,459 1.954,460 1,461 1,463 2.136,464 0.952,465 16.133,466 0.475,467 0.582,468 0.017,469 44.25,470 1.301,471 20.5,472 0.603,473 23.75,474 0.699,475 30.706,476 0.903,477 36.067,478 0.572,479 32.712,480 0.962,481 8.557,482 0.252,483 8.292,484 0.244,487 0.291,493 0.828,494 1.483,495 0.776,496 1.185,497 0.698,498 1.009,499 1.391,500 1.128,501 1.001,502 0.949,503 1.047,504 0.931,505 1.103,506 1.19,507 0.999,508 1.021,509 0.872,510 1.001,511 0.826,512 0.847,513 0.939,514 0.865,515 0.947,516 0.898,517 0.813,518 1.094,519 0.911,520 0.989,521 0.998,522 0.959,523 1.109,524 1.102,525 1.11,526 1.065,527 1.165,528 1.073,529 1.084,530 1.055,531 1.134,532 1.052,533 1.163,534 1.084,535 0.884,536 1.02,537 1.107,538 1.126,539 1.005,540 1.137,541 4.5,542 0.135,543 3.111,544 1.535,545 1.405,546 1.219,547 0.873,548 0.386,549 0.19,550 0.187,551 18088,552 40496,553 2.253,554 46,556 22,558 3,562 4,564 1.763,565 2.217,566 3.576,567 -0.758,573 93.824,574 1.489,575 3.516,576 4.689,577 5.14,578 5.184,579 5.184,580 3.05,581 4.374,582 5.052,583 3.78,584 2120.7,585 8.881,586 31953.1,591 376.569,592 0.874,593 5.06,594 0.115,595 0.005,596 0.058,597 0.028,598 0.027,599 0.022,600 0.016,601 0.008,602 0.004,603 0.005,604 0.287,605 0.17,606 0.88,608 181.24,609 0.08,610 -0.276,611 0.102,612 -0.129,613 0.132,614 -0.031,615 -0.112,616 0.007,617 -0.038,618 0.02,619 -0.033,621 -0.045,622 -0.148,623 -0.023,624 -0.051,625 0.061,626 -0.04,627 0.108,628 0.178,629 0.053,630 0.078,631 0.063,632 0.061,633 0.035,634 -0.066,635 0.052,636 -0.001,637 -0.039,638 0.024,639 -0.096,640 -0.029,641 -0.14,642 -0.109,643 -0.175,644 -0.123,646 -0.017,647 -0.15,648 -0.096,649 -0.089,650 -0.132,651 -0.048,652 -0.035,653 -0.139,654 -0.132,655 -0.091,656 -0.143,657 1.001,658 2.081,659 0.971,660 40.471,661 0.996,662 1.131,663 3.614,664 13.06,665 0.665,666 3.689,667 4.007,668 4.331,669 4.644,670 4.934,671 5.069,672 5.323,673 5.525,674 5.677,675 5.817,676 7.415,677 0.63,678 455.62,679 3.689,680 5.231,681 6.098,682 6.982,683 7.868,684 8.764,685 9.662,686 10.566,687 11.471,688 12.38,689 11.1,692 1,695 1,697 1,699 4,703 2,704 10,705 4,709 4,710 1,711 22,726 1,731 63,733 22,734 1,735 39,737 68,738 26,739 16,740 1,741 5,746 6,747 7,755 3,758 3,761 16,762 10,781 29,782 7,784 8,790 7,794 0.833,795 1,803 1,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 34,854 9,856 1,858 1,859 2,870 1.6,874 1,877 15.333,878 11.233,879 7.417,880 4.002,881 3.695,882 1.429,883 1.021,884 6.133,885 12.306,886 3.932,887 4.514,888 5.135,889 5.76,890 6.329,891 6.692,892 7.211,893 7.669,894 8,895 8.365,896 1,897 55,898 12.593,900 5.396,901 7.451,902 24.898,904 21.141,905 1.951,906 66.333,910 341.362,911 133.574,912 75.045,914 11,917 133.574,918 352.362,919 75.045,921 24.782,922 66.334,923 115.048,924 46.439,925 2.328,926 306.049,928 341.362,929 208.618,930 11,933 296.605,934 47.084,935 11,937 58.541,938 80.73,939 67.02,941 341.362,942 86.045,943 133.574,946 341.362,947 40.098,948 101.501,950 78.019,951 341.362,952 86.045,953 133.574,955 0.573,956 0.338,957 0.193,958 0.11,959 28,960 10,961 0.074,962 5,963 1,964 1.061,965 4.594,966 338.703,967 0.061,968 33,969 160.974,974 21.516,975 9.692,976 4.538,977 1.929,978 84.268,979 20.207,980 19.095,984 3.934,985 2.14,987 560.98,988 50,999 62.76,1000 71.265,1001 0.249,1002 0.588,1003 0.784,1004 0.86,1005 0.867,1006 0.867,1007 5.168,1008 1.732,1009 6.057,1010 4.823,1011 4.691,1012 5.201,1013 1.598,1014 6.87,1015 4.592,1016 6.339,1017 1.428,1018 7.603,1019 4.66,1020 4.111,1021 4.844,1022 0.57,1023 7.758,1024 3.962,1025 7.628,1026 1.292,1027 9.256,1028 3.226,1029 6.271,1030 7.378,1031 1.256,1032 10.915,1033 6.076,1034 8.956,1035 1.225,1036 10.975,1037 3.053,1038 6.594,1039 7.975,1040 0.581,1041 12.701,1042 6.348,1043 10.324,1044 1.042,1045 12.739,1046 2.984,1047 8.153,1048 9.918,1049 1.023,1050 15.356,1051 7.862,1052 11.722,1053 1,1054 14.534,1055 2.649,1056 8.906,1057 10.985,1058 0.515,1059 17.507,1060 8.561,1061 13.144,1062 1,1063 16.351,1064 2.275,1065 10.215,1066 12.679,1067 0.84,1068 20.003,1069 9.823,1070 3.288,1071 1,1072 18.186,1073 2.136,1074 11.18,1075 13.984,1076 0.441,1077 22.312,1078 10.731,1079 2.859,1080 11.616,1081 20.034,1082 2.136,1083 12.387,1084 15.573,1085 0.689,1086 24.761,1087 11.89,1088 2.725,1089 9.593,1090 21.892,1091 4.638,1092 13.455,1093 16.995,1094 0.373,1095 27.14,1096 12.901,1097 2.649,1098 8.899,1099 23.76,1100 3.717,1101 14.628,1102 18.543,1103 0.564,1104 29.578,1105 14.022,1106 2.355,1107 7.742,1108 25.634,1109 3.457,1110 15.747,1111 20.022,1112 0.314,1113 31.991,1114 15.085,1115 2.107,1116 7.114,1117 27.515,1118 3.329,1119 16.912,1120 21.556,1121 0.461,1122 34.429,1123 16.197,1124 1.823,1125 6.052,1126 29.402,1127 2.7,1128 18.058,1129 23.062,1130 0.264,1131 36.859,1132 17.287,1133 16367,1134 24672,1135 27.622,1136 41.87,1137 58.818,1138 58.829,1139 58.692,1140 58.636,1141 58.577,1142 74.835,1143 5.498,1144 166.278,1145 55.674,1146 5.693,1147 5.38,1148 6.705,1149 5.34,1150 5.288,1151 7.638,1152 1.776,1153 19.165,1154 5.119,1156 1.508,1157 1.508,1158 1.505,1159 1.503,1160 1.502,1161 1.919,1162 0.141,1163 4.264,1164 1.428,1165 4.139,1166 4.191,1167 4.114,1168 3.974,1169 5.142,1170 4.002,1171 3.929,1172 3.971,1173 3.853,1174 3.852,1175 4.877,1176 3.848,1177 3.844,1178 3.89,1179 3.784,1180 3.731,1181 4.755,1182 3.738,1183 3.776,1184 3.831,1185 3.669,1186 3.619,1187 4.627,1188 3.621,1189 3.688,1190 3.747,1191 3.573,1192 3.482,1193 4.505,1194 3.497,1195 3.282,1196 3.357,1197 3.211,1198 3.079,1199 4.255,1200 3.091,1201 3.138,1202 3.208,1203 3.023,1204 2.971,1205 4.002,1206 2.982,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.805,1212 2.91,1213 0.12,1214 0.087,1215 0.177,1216 0.109,1217 0.084,1218 4.693,1219 0.119,1220 3.38,1221 0.023,1222 6.903,1223 0.298,1224 4.237,1225 0.08,1226 3.288,1227 4.638,1228 0.916,1229 11.616,1230 3.119,1231 1.941,1232 1.901,1233 2.082,1234 2.104,1235 1.426,1236 2.092,1237 1.912,1238 1.878,1239 2.006,1240 2.042,1241 1.219,1242 2.038,1243 1.807,1244 1.755,1245 1.972,1246 1.95,1247 1.14,1248 1.962,1249 1.748,1250 1.701,1251 1.913,1252 1.933,1253 1.004,1254 1.93,1255 1.573,1256 1.525,1257 1.709,1258 1.767,1259 0.852,1260 1.753,1261 1.316,1262 1.237,1263 1.514,1264 1.6,1265 0.825,1266 1.57,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.727,1278 1.429,1279 4.369,1281 5.687,1282 2.398,1283 7.213,1284 4.727,1285 8.829,1286 6.862,1287 10.494,1295 8.287,1297 5.581,1299 0.332,1300 4.828,1305 39.659,1306 93.824,1307 221.477,1308 295.407,1309 323.814,1310 326.569,1311 326.569,1312 42.611,1313 8.611,1314 72.2,1315 72.2,1316 35,1317 12.897,1318 4.524,1319 3.585,1320 45.023,1321 146,1322 179,1323 0.145,1324 238.093,1325 399.99,1326 572.708,1327 71035,1329 22.744,1330 0.669,1331 0.566,1332 22.744,1333 19.254,1334 16.848,1335 0.432,1336 0.31,1337 11.912,1338 16.156,1339 11.72,1340 9.603,1341 16.848,1342 12.096,1343 14.781,1344 0.274,1345 0.167,1346 14.781,1347 9.031,1348 13.093,1349 0.175,1350 0.091,1351 13.093,1352 6.816,1353 11.408,1354 0.111,1355 0.048,1356 11.408,1357 4.982,1358 9.736,1359 0.071,1360 0.026,1361 9.736,1362 3.633,1363 0.228,1364 105.586,1365 0.19,1366 31.389,1367 0.402,1368 186,1369 479.251,1370 203.505,1371 464.132,1372 656.94,1373 442,1374 222,1375 500.479,1376 242.559,1377 504.67,1378 746.69,1379 477,1380 6.613}
{0 CHEMBL575976,1 1.818,2 13.842,3 3.038,4 9.226,5 130.307,6 8.599,7 0.512,8 4.266,9 4.383,10 3.946,11 3.742,12 5.433,13 3.778,14 4.845,15 5.003,16 4.401,17 4.149,18 6.35,19 4.176,20 5.089,21 5.298,22 4.333,23 4.264,24 6.228,25 4.243,26 5.056,27 5.291,28 4.325,29 4.218,30 6.246,31 4.195,32 4.986,33 5.183,34 4.398,35 4.197,36 6.324,37 4.211,38 4.999,39 5.195,40 4.345,41 4.24,42 6.191,43 4.245,44 5.026,45 5.209,46 4.38,47 4.282,48 6.28,49 4.257,50 5.111,51 5.348,52 4.266,53 4.244,54 6.285,55 4.19,56 0.256,57 1.211,58 9.464,59 5.037,60 28.37,61 5.747,62 1.167,63 2.231,64 21.721,65 8.561,66 157.282,67 10.061,68 1.291,69 2.088,70 33.322,71 10.65,72 106.064,73 13.57,74 1.027,75 2.049,76 32.75,77 10.326,78 86.414,79 14.463,80 0.996,81 2.131,82 28.561,83 9.943,84 97.165,85 12.683,86 0.953,87 2.127,88 27.907,89 9.523,90 89.355,91 11.338,92 1.041,93 2.24,94 26.767,95 10.585,96 67.634,97 13.512,98 0.994,99 2.297,100 35.592,101 13.314,102 91.441,103 17.264,104 19,105 63,106 0.289,107 0.641,108 0.768,109 0.83,110 0.842,111 0.842,112 3.668,113 0.844,114 -4.75,115 -4.66,116 -4.38,119 41,121 2,125 3,127 2,132 1,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 6,174 3,175 10,178 2,179 1,180 3,183 4,186 2,187 7,190 1,192 3,195 2,198 5,199 9,204 4,207 1,211 2,212 11,215 1,217 3,220 4,224 7,227 2,229 1,232 4,236 3,237 11,245 6,249 2,250 4,253 4,255 1,258 7,263 3,266 1,271 5,275 3098,276 25.53,277 25.53,278 25.53,279 25.53,280 25.53,281 22.866,282 29.673,283 14.865,284 26.362,285 21.345,286 21.345,287 21.345,288 21.345,289 21.345,290 17.273,291 41.71,292 7.221,293 22.851,294 4.113,295 1.903,296 1.103,297 0.713,298 0.635,299 0.635,300 4.382,305 1,306 1177,307 4.183,310 182.175,311 467.999,312 118.492,314 165.57,318 2.191,319 58.199,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 86.5,331 526,332 4.682,333 4.269,334 6.86,335 4.228,336 3.294,337 4.629,338 3.02,339 11.474,340 3.099,341 4.199,342 3.562,343 6.462,344 3.936,345 3.1,346 3.794,347 1.656,348 10.198,349 2.742,350 4.119,351 3.396,352 6.12,353 3.809,354 2.869,355 3.48,356 0.86,357 9.031,358 2.679,359 3.972,360 3.14,361 6.086,362 3.725,363 2.777,364 3.36,365 0.8,366 8.878,367 2.543,368 3.932,369 2.791,370 5.638,371 3.602,372 2.64,373 3.155,374 0.247,375 7.688,376 2.465,377 3.767,378 2.702,379 5.567,380 3.369,381 2.43,382 3.032,384 7.629,385 2.305,386 3.616,387 2.547,388 5.323,389 3.323,390 2.385,391 2.747,393 6.924,394 2.174,395 3.402,396 2.398,397 4.984,398 2.943,399 1.954,400 2.652,402 5.638,403 1.92,404 2.969,405 2.093,406 4.879,407 2.839,408 1.879,409 2.177,411 5.396,412 1.794,413 2.912,414 1.917,415 4.677,416 2.629,417 1.691,418 1.995,420 5.114,421 1.575,422 2.879,423 1.535,424 4.412,425 2.449,426 1.5,427 1.973,428 4.256,429 1.42,430 2.843,431 1.519,432 4.273,433 2.339,434 1.375,435 1.879,436 3.571,437 1.321,438 2.619,439 1.292,440 3.666,441 2.136,442 1.202,443 1.663,445 2.989,446 1.119,447 2.5,448 1,449 3.567,450 2,451 1,452 1.5,454 2.275,455 1,456 2.5,457 1,458 3.414,459 1.956,460 1,461 1.5,463 2.211,464 0.953,465 17.224,466 0.453,467 1.126,468 0.03,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 33.454,476 0.88,477 41.576,478 0.682,479 43.575,480 1.147,481 9.81,482 0.258,483 8.493,484 0.224,485 0.069,486 0.029,487 0.337,490 3,493 0.654,494 1.174,495 0.624,496 1.127,497 0.564,498 0.927,499 0.599,500 0.88,501 0.763,502 1.012,503 0.391,504 0.961,505 0.931,506 0.83,507 1.068,508 0.93,509 0.787,510 1.023,511 0.578,512 0.745,513 0.814,514 0.911,515 0.496,516 0.926,517 0.784,518 0.979,519 0.767,520 0.978,521 0.823,522 0.898,523 1.009,524 0.929,525 1.041,526 0.908,527 0.883,528 0.94,529 0.616,530 0.915,531 0.99,532 1.2,533 0.611,534 1.235,535 0.695,536 1,537 0.886,538 1.157,539 0.684,540 1.118,541 9.5,542 0.367,543 3.333,544 2.417,545 1.914,546 1.73,547 0.909,548 0.745,549 0.538,550 0.419,551 24429,552 78682,553 2.152,554 37.7,556 14,558 3,559 2,561 4,564 1.789,565 2.027,566 3.657,567 0.253,573 110.882,574 1.818,575 4.028,576 4.828,577 5.217,578 5.295,579 5.295,580 3.046,581 4.649,582 5.213,583 3.937,584 2767.81,585 9.198,586 46230.8,591 361.775,592 1.478,593 5.181,594 0.221,595 0.01,596 0.053,597 0.041,598 0.033,599 0.027,600 0.015,601 0.012,602 0.01,603 0.01,604 0.432,605 0.17,606 0.75,607 0.756,608 211.055,609 -0.053,610 -0.172,611 0.046,612 -0.094,613 -0.065,614 -0.013,615 0.269,616 0.149,617 0.058,618 -0.028,619 0.366,620 -0.056,621 -0.087,622 0.035,623 -0.138,624 0.025,625 -0.084,626 -0.058,627 0.078,628 0.046,629 0.123,630 0.021,631 0.089,632 0.073,633 0.05,634 -0.075,635 0.146,636 -0.002,637 0.049,638 0.075,639 -0.201,640 0.006,641 -0.164,642 0.041,643 -0.121,644 -0.008,645 0.133,646 0.026,647 -0.141,648 -0.207,649 0.038,650 -0.27,651 0.075,652 -0.126,653 0.101,654 -0.135,655 0.066,656 -0.044,657 5.702,658 5.291,659 0.763,660 50.161,661 1.032,662 1.15,663 3.521,664 12.394,665 0.666,666 3.784,667 4.159,668 4.407,669 4.745,670 5.004,671 5.176,672 5.407,673 5.591,674 5.765,675 5.951,676 8.29,677 0.664,678 524.56,679 3.784,680 5.361,681 6.217,682 7.122,683 7.997,684 8.906,685 9.793,686 10.706,687 11.602,688 12.518,689 13.1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 61,733 23,734 1,735 43,737 66,738 25,739 16,740 2,741 4,746 6,747 8,751 1,752 1,755 4,757 1,758 4,761 17,762 8,766 1,771 1,775 1,779 3,781 23,782 12,783 2,784 13,790 8,794 0.667,795 2,801 1,803 1,805 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,846 3,848 38,854 5,855 2,856 1,858 2,859 1,860 1,869 3,870 3.3,873 1,874 1,877 18.75,878 10.879,879 7.931,880 3.607,881 3.978,882 1.45,883 1.029,884 6.482,885 12.821,886 4.025,887 4.637,888 5.195,889 5.832,890 6.391,891 6.774,892 7.291,893 7.758,894 8.12,895 8.546,896 0.889,897 59,898 14.561,900 6.889,901 8.086,902 26.231,904 22.236,905 2.586,906 98.25,910 247.193,911 125.064,912 107.942,914 36.145,915 44.88,917 125.064,918 283.338,919 152.822,921 47.408,922 56.857,923 140.193,924 90.523,925 6.604,926 211.88,927 7.76,928 247.193,929 233.006,930 81.025,933 202.437,934 117.11,935 11,937 85.801,938 77.858,939 67.02,941 292.073,942 144.087,943 125.064,946 254.953,947 33.305,948 88.901,949 36.022,950 148.045,951 247.193,952 188.967,953 125.064,955 0.594,956 0.322,957 0.181,958 0.101,959 33,960 14,961 0.076,962 5,963 3,964 1.172,965 4.83,966 390.388,967 0.207,968 28,969 181.911,974 24.748,975 9.954,976 5.513,977 0.573,978 187.191,979 14.702,980 17.169,984 2.451,985 0.859,986 36.022,987 561.225,988 55,993 12.291,997 -0.441,999 62.96,1000 70.161,1001 0.306,1002 0.679,1003 0.814,1004 0.88,1005 0.893,1006 0.893,1007 5.301,1008 1.954,1009 6.236,1010 6.924,1011 4.844,1012 5.325,1013 3.087,1014 7.076,1015 4.713,1016 6.517,1017 1.879,1018 7.808,1019 5.638,1020 4.575,1021 5.173,1022 3.192,1023 8.1,1024 4.303,1025 7.834,1026 1.691,1027 9.478,1028 5.396,1029 6.503,1030 7.51,1031 4.666,1032 11.134,1033 6.224,1034 9.181,1035 1.5,1036 11.206,1037 5.114,1038 7.004,1039 8.168,1040 5.505,1041 12.942,1042 6.581,1043 10.559,1044 1.375,1045 12.97,1046 4.256,1047 8.442,1048 10.024,1049 6.696,1050 15.54,1051 7.999,1052 11.958,1053 1.202,1054 14.76,1055 3.571,1056 9.288,1057 11.095,1058 7.734,1059 17.677,1060 8.721,1061 13.374,1062 1,1063 16.569,1064 2.989,1065 10.539,1066 12.749,1067 8.859,1068 20.135,1069 9.932,1070 3.294,1071 1,1072 18.392,1073 2.275,1074 11.547,1075 14.043,1076 9.948,1077 22.419,1078 10.837,1079 3.1,1080 11.474,1081 20.227,1082 2.211,1083 12.727,1084 15.612,1085 11.057,1086 24.836,1087 11.965,1088 2.869,1089 10.198,1090 22.072,1091 4.629,1092 13.811,1093 17.022,1094 12.158,1095 27.189,1096 12.963,1097 2.777,1098 9.031,1099 23.925,1100 3.794,1101 14.969,1102 18.559,1103 13.264,1104 29.598,1105 14.063,1106 2.64,1107 8.878,1108 25.785,1109 3.48,1110 16.09,1111 20.029,1112 14.368,1113 31.985,1114 15.11,1115 2.43,1116 7.688,1117 27.651,1118 3.36,1119 17.244,1120 21.555,1121 15.474,1122 34.397,1123 16.204,1124 2.385,1125 7.629,1126 29.523,1127 3.155,1128 18.386,1129 23.055,1130 16.579,1131 36.802,1132 17.279,1133 22437,1134 40541,1135 29.126,1136 40.62,1137 66.25,1138 66.394,1139 65.662,1140 65.639,1141 65.409,1142 82.852,1143 13.166,1144 194.641,1145 61.191,1146 5.682,1147 6.269,1148 6.662,1149 5.335,1150 5.294,1151 7.629,1152 4.53,1153 18.955,1154 5.099,1155 17.038,1156 1.541,1157 1.544,1158 1.527,1159 1.526,1160 1.521,1161 1.927,1162 0.306,1163 4.527,1164 1.423,1165 4.134,1166 4.184,1167 4.113,1168 3.976,1169 8.513,1170 4.002,1171 3.911,1172 3.953,1173 3.86,1174 3.802,1175 7.999,1176 3.81,1177 3.896,1178 3.941,1179 3.802,1180 3.744,1181 7.999,1182 3.753,1183 3.845,1184 3.886,1185 3.785,1186 3.712,1187 7.431,1188 3.723,1189 3.556,1190 3.611,1191 3.541,1192 3.276,1193 5.133,1194 3.323,1195 3.414,1196 3.46,1197 3.373,1198 3.141,1199 4.908,1200 3.19,1201 3.245,1202 3.326,1203 3.186,1204 2.98,1205 4.749,1206 3.005,1207 3.119,1208 3.188,1209 3.033,1210 2.951,1211 4.67,1212 2.941,1213 0.109,1214 0.099,1215 0.16,1216 0.098,1217 0.077,1218 4.682,1219 0.108,1220 4.269,1221 0.07,1222 6.86,1223 0.267,1224 4.228,1225 0.072,1226 3.294,1227 4.629,1228 3.02,1229 11.474,1230 3.099,1231 1.951,1232 1.921,1233 2.028,1234 2.085,1235 1.255,1236 2.064,1237 1.825,1238 1.784,1239 1.935,1240 1.989,1241 1.223,1242 1.973,1243 1.786,1244 1.749,1245 1.9,1246 1.929,1247 1.108,1248 1.928,1249 1.604,1250 1.55,1251 1.86,1252 1.878,1253 0.973,1254 1.837,1255 1.604,1256 1.543,1257 1.748,1258 1.76,1259 0.944,1260 1.798,1261 1.48,1262 1.421,1263 1.624,1264 1.722,1265 0.782,1266 1.694,1267 1.266,1268 1.221,1269 1.391,1270 1.559,1271 0.496,1272 1.514,1273 1.06,1274 1.003,1275 1.215,1276 1.401,1277 0.364,1278 1.318,1279 4.466,1281 5.826,1282 3.045,1283 7.358,1284 5.416,1285 8.97,1286 7.506,1287 10.63,1291 39.745,1295 1.829,1296 5.409,1297 5.932,1299 0.131,1300 2.053,1301 -4.452,1305 40.492,1306 110.882,1307 245.697,1308 294.491,1309 318.265,1310 323.02,1311 323.02,1312 74.029,1313 8.843,1314 110.09,1315 110.09,1316 34,1317 13.034,1318 4.585,1319 3.7,1320 53.05,1321 183,1322 226,1323 0.136,1324 239.959,1325 418.05,1326 577.259,1327 96656,1328 4.9,1329 26.277,1330 0.692,1331 0.527,1332 23.777,1333 20.02,1334 18.304,1335 0.426,1336 0.281,1337 11.827,1338 17.24,1339 11.731,1340 9.546,1341 17.157,1342 12.098,1343 17.963,1344 0.285,1345 0.147,1346 15.607,1347 9.286,1348 13.882,1349 0.171,1350 0.08,1351 13.532,1352 6.469,1353 12.481,1354 0.109,1355 0.042,1356 11.948,1357 4.817,1358 10.219,1359 0.069,1360 0.022,1361 9.653,1362 3.291,1363 0.215,1364 117.203,1365 0.185,1366 34.527,1367 0.368,1368 212,1369 828.341,1370 251.924,1371 711.682,1372 950.21,1373 664,1374 250,1375 690.975,1376 283.763,1377 670.367,1378 1003.16,1379 632,1380 6.462}
{0 CHEMBL575989,1 1.84,2 13.73,3 2.458,4 6.039,5 125.663,6 8.802,7 0.524,8 4.224,9 4.339,10 3.923,11 3.699,12 5.411,13 3.742,14 4.8,15 4.953,16 4.383,17 4.108,18 6.332,19 4.143,20 5.005,21 5.213,22 4.267,23 4.183,24 6.174,25 4.167,26 4.946,27 5.168,28 4.311,29 4.139,30 6.198,31 4.139,32 4.923,33 5.105,34 4.38,35 4.163,36 6.301,37 4.188,38 4.962,39 5.153,40 4.322,41 4.195,42 6.165,43 4.203,44 4.981,45 5.18,46 4.298,47 4.203,48 6.243,49 4.18,50 5,51 5.215,52 4.212,53 4.174,54 6.205,55 4.121,56 0.274,57 1.174,58 8.412,59 4.71,60 29.289,61 5.191,62 1.182,63 2.177,64 19.657,65 7.974,66 157.084,67 9.005,68 1.237,69 1.954,70 29.404,71 9.511,72 101.192,73 11.821,74 0.96,75 1.922,76 27.851,77 9.13,78 81.401,79 12.359,80 0.991,81 2.074,82 24.55,83 9.05,84 95.055,85 10.829,86 0.942,87 2.06,88 25.561,89 9.343,90 89.543,91 10.885,92 1.138,93 2.095,94 26.445,95 9.639,96 75.938,97 12.133,98 0.872,99 2.157,100 29.24,101 12.776,102 86.315,103 15.968,104 19,105 62,106 0.295,107 0.665,108 0.808,109 0.87,110 0.883,111 0.883,112 3.642,113 0.828,114 -4.55,115 -4.47,116 -4.21,119 41.4,121 1,125 3,127 2,132 1,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 10,178 2,179 1,180 3,183 4,186 2,187 5,190 1,192 3,195 2,198 5,199 10,204 4,207 2,211 2,212 9,215 1,217 3,220 2,224 10,227 2,229 1,232 5,236 3,237 5,245 6,249 2,250 4,253 4,255 1,258 5,263 3,266 1,271 1,275 2858,276 24.875,277 24.875,278 24.875,279 24.875,280 24.875,281 22.211,282 30.176,283 14.431,284 25.708,285 20.839,286 20.839,287 20.839,288 20.839,289 20.839,290 16.772,291 44.468,292 6.993,293 22.327,294 4.018,295 1.716,296 0.824,297 0.44,298 0.358,299 0.358,300 4.355,305 1,306 1140,307 4.183,310 257.444,311 459.883,314 161.59,318 2.159,319 57.314,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84.5,331 508,332 4.689,333 4.269,334 6.915,335 4.257,336 3.32,337 4.63,338 3.02,339 11.671,340 3.124,341 4.203,342 3.562,343 6.517,344 3.985,345 3.129,346 3.794,347 1.656,348 10.352,349 2.807,350 4.15,351 3.473,352 6.311,353 3.857,354 2.94,355 3.48,356 0.86,357 9.637,358 2.733,359 4.013,360 3.125,361 6.102,362 3.734,363 2.779,364 3.391,365 0.8,366 8.912,367 2.543,368 3.97,369 2.79,370 5.626,371 3.602,372 2.64,373 3.167,374 0.247,375 7.638,376 2.456,377 3.768,378 2.603,379 5.567,380 3.365,381 2.405,382 3.064,384 7.43,385 2.305,386 3.55,387 2.546,388 5.323,389 3.219,390 2.296,391 2.746,393 6.922,394 2.089,395 3.399,396 2.396,397 5.038,398 2.942,399 1.953,400 2.649,402 5.689,403 1.919,404 2.968,405 2.025,406 4.681,407 2.711,408 1.771,409 2.177,411 5.114,412 1.654,413 2.884,414 1.672,415 4.647,416 2.451,417 1.503,418 1.975,420 4.486,421 1.421,422 2.843,423 1.535,424 4.412,425 2.39,426 1.443,427 1.94,428 4.256,429 1.357,430 2.685,431 1.519,432 4.14,433 2.339,434 1.374,435 1.73,436 3.27,437 1.32,438 2.5,439 1.333,440 3.636,441 2.073,442 1.147,443 1.5,445 2.987,446 1.058,447 2.5,448 1.045,449 3.566,450 2,451 1,452 1.5,454 2.275,455 1,456 2.467,457 1,458 3.414,459 1.956,460 1,461 1.459,463 2.136,464 0.953,465 16.724,466 0.452,467 1.109,468 0.03,469 49.5,470 1.338,471 23,472 0.622,473 26.5,474 0.716,475 31.216,476 0.844,477 40.276,478 0.694,479 42.798,480 1.157,481 9.819,482 0.265,483 8.002,484 0.216,485 0.071,486 0.03,487 0.347,490 3,493 0.66,494 1.165,495 0.608,496 1.114,497 0.567,498 0.908,499 0.612,500 0.874,501 0.758,502 0.978,503 0.398,504 0.938,505 0.91,506 0.823,507 1.102,508 0.935,509 0.808,510 1.048,511 0.58,512 0.766,513 0.744,514 0.889,515 0.529,516 0.871,517 0.834,518 0.969,519 0.835,520 0.984,521 0.864,522 0.929,523 0.963,524 1.009,525 1.031,526 1.03,527 0.86,528 1.034,529 0.672,530 0.759,531 1.029,532 1.022,533 0.63,534 1.125,535 0.646,536 1.115,537 0.878,538 1.363,539 0.705,540 1.282,541 9,542 0.272,543 3.556,544 2.194,545 1.924,546 1.702,547 1.018,548 0.675,549 0.562,550 0.419,551 22871,552 75762,553 2.156,554 36.2,556 14,558 3,559 2,562 2,564 1.782,565 2.027,566 3.658,567 0.269,573 106.73,574 1.84,575 4.142,576 5.034,577 5.418,578 5.5,579 5.5,580 3.06,581 4.554,582 5.175,583 3.918,584 2609.25,585 9.118,586 42717.3,591 339.763,592 1.494,593 5.142,594 0.214,595 0.009,596 0.057,597 0.04,598 0.033,599 0.027,600 0.017,601 0.012,602 0.011,603 0.01,604 0.432,605 0.17,606 0.75,607 0.769,608 203.896,609 -0.06,610 -0.176,611 0.043,612 -0.098,613 -0.069,614 -0.014,615 0.255,616 0.15,617 0.049,618 -0.005,619 0.359,620 -0.048,621 -0.09,622 0.051,623 -0.177,624 0.01,625 -0.093,626 -0.087,627 0.088,628 0.041,629 0.18,630 0.045,631 0.08,632 0.122,633 0.006,634 -0.042,635 0.044,636 -0.015,637 0.019,638 0.015,639 -0.173,640 -0.09,641 -0.158,642 -0.072,643 -0.108,644 -0.089,645 0.098,646 0.147,647 -0.14,648 -0.057,649 0.032,650 -0.16,651 0.125,652 -0.214,653 0.092,654 -0.294,655 0.072,656 -0.179,657 5.7,658 5.268,659 0.757,660 47.627,661 1.036,662 1.151,663 3.318,664 11.008,665 0.67,666 3.761,667 4.143,668 4.407,669 4.754,670 4.997,671 5.159,672 5.398,673 5.606,674 5.771,675 5.94,676 8.169,677 0.672,678 510.53,679 3.761,680 5.342,681 6.205,682 7.116,683 7.999,684 8.915,685 9.811,686 10.731,687 11.637,688 12.56,689 13.8,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 58,733 23,734 1,735 42,737 63,738 24,739 16,740 2,741 4,746 6,747 8,751 1,752 1,755 3,757 1,758 3,761 17,762 7,766 1,771 1,775 1,779 3,781 21,782 12,783 2,784 13,790 8,794 0.667,795 2,801 1,803 1,805 1,806 1,808 1,811 3,812 4,815 1,839 1,840 4,846 3,848 37,854 4,855 2,856 1,858 2,859 1,860 1,869 3,870 3.4,873 1,874 1,877 18.25,878 10.379,879 7.708,880 3.351,881 3.983,882 1.455,883 1.03,884 6.037,885 12.745,886 4.007,887 4.627,888 5.195,889 5.838,890 6.396,891 6.784,892 7.308,893 7.783,894 8.142,895 8.566,896 0.889,897 55,898 14.174,900 6.74,901 8.115,902 25.415,904 21.578,905 2.615,906 96.75,910 223.651,911 125.017,912 107.942,914 36.145,915 44.88,917 125.017,918 259.796,919 152.822,921 47.36,922 56.857,923 140.193,924 90.523,925 6.604,926 188.338,927 7.76,928 223.651,929 232.959,930 81.025,933 202.437,934 93.567,935 11,937 85.753,938 77.858,939 67.02,941 268.531,942 144.087,943 125.017,946 231.41,947 33.257,948 88.901,949 36.022,950 148.045,951 223.651,952 188.967,953 125.017,955 0.595,956 0.325,957 0.184,958 0.101,959 33,960 14,961 0.079,962 5,963 3,964 1.179,965 4.763,966 377.666,967 0.214,968 27,969 181.995,974 23.805,975 9.383,976 5.008,977 0.574,978 187.191,979 14.678,980 17.115,984 2.454,985 0.855,986 36.022,987 537.635,988 54,993 12.268,997 -0.442,999 60.076,1000 66.746,1001 0.314,1002 0.707,1003 0.859,1004 0.925,1005 0.939,1006 0.939,1007 5.286,1008 1.953,1009 6.229,1010 6.922,1011 4.828,1012 5.316,1013 3.087,1014 7.083,1015 4.697,1016 6.506,1017 1.771,1018 7.81,1019 5.689,1020 4.575,1021 5.173,1022 3.192,1023 8.138,1024 4.311,1025 7.828,1026 1.503,1027 9.491,1028 5.114,1029 6.5,1030 7.509,1031 4.666,1032 11.186,1033 6.223,1034 9.181,1035 1.443,1036 11.23,1037 4.486,1038 7.031,1039 8.176,1040 5.505,1041 13.031,1042 6.621,1043 10.565,1044 1.374,1045 13.007,1046 4.256,1047 8.466,1048 10.029,1049 6.696,1050 15.643,1051 8.03,1052 11.97,1053 1.147,1054 14.81,1055 3.27,1056 9.339,1057 11.104,1058 7.734,1059 17.81,1060 8.788,1061 13.392,1062 1,1063 16.631,1064 2.987,1065 10.592,1066 12.756,1067 8.859,1068 20.285,1069 9.998,1070 3.32,1071 1,1072 18.467,1073 2.275,1074 11.62,1075 14.051,1076 9.948,1077 22.592,1078 10.93,1079 3.129,1080 11.671,1081 20.314,1082 2.136,1083 12.807,1084 15.618,1085 11.057,1086 25.025,1087 12.062,1088 2.94,1089 10.352,1090 22.171,1091 4.63,1092 13.906,1093 17.029,1094 12.158,1095 27.396,1096 13.08,1097 2.779,1098 9.637,1099 24.036,1100 3.794,1101 15.072,1102 18.565,1103 13.264,1104 29.821,1105 14.186,1106 2.64,1107 8.912,1108 25.907,1109 3.48,1110 16.205,1111 20.034,1112 14.368,1113 32.224,1114 15.249,1115 2.405,1116 7.638,1117 27.784,1118 3.391,1119 17.368,1120 21.561,1121 15.474,1122 34.652,1123 16.35,1124 2.296,1125 7.43,1126 29.666,1127 3.167,1128 18.52,1129 23.06,1130 16.579,1131 37.072,1132 17.436,1133 20977,1134 38426,1135 28.433,1136 38.858,1137 64.99,1138 65.386,1139 64.768,1140 64.575,1141 64.373,1142 81.815,1143 13.166,1144 193.32,1145 60.17,1146 5.689,1147 6.269,1148 6.716,1149 5.365,1150 5.32,1151 7.63,1152 4.53,1153 19.28,1154 5.124,1155 16.746,1156 1.547,1157 1.557,1158 1.542,1159 1.537,1160 1.533,1161 1.948,1162 0.313,1163 4.603,1164 1.433,1165 4.139,1166 4.189,1167 4.117,1168 3.981,1169 8.513,1170 4.007,1171 3.915,1172 3.955,1173 3.861,1174 3.807,1175 7.999,1176 3.814,1177 3.896,1178 3.945,1179 3.812,1180 3.742,1181 7.999,1182 3.752,1183 3.845,1184 3.886,1185 3.787,1186 3.705,1187 7.431,1188 3.72,1189 3.545,1190 3.598,1191 3.533,1192 3.264,1193 5.133,1194 3.311,1195 3.414,1196 3.459,1197 3.373,1198 3.139,1199 4.908,1200 3.188,1201 3.171,1202 3.236,1203 3.147,1204 2.927,1205 4.749,1206 2.964,1207 3.007,1208 3.091,1209 2.899,1210 2.809,1211 4.68,1212 2.794,1213 0.112,1214 0.102,1215 0.165,1216 0.101,1217 0.079,1218 4.689,1219 0.11,1220 4.269,1221 0.072,1222 6.915,1223 0.278,1224 4.257,1225 0.074,1226 3.32,1227 4.63,1228 3.02,1229 11.671,1230 3.124,1231 1.949,1232 1.919,1233 2.025,1234 2.079,1235 1.194,1236 2.059,1237 1.823,1238 1.782,1239 1.934,1240 1.985,1241 1.142,1242 1.969,1243 1.773,1244 1.738,1245 1.858,1246 1.917,1247 1.083,1248 1.907,1249 1.555,1250 1.49,1251 1.759,1252 1.85,1253 0.961,1254 1.808,1255 1.51,1256 1.454,1257 1.716,1258 1.698,1259 0.944,1260 1.707,1261 1.446,1262 1.392,1263 1.612,1264 1.663,1265 0.772,1266 1.664,1267 1.265,1268 1.22,1269 1.391,1270 1.557,1271 0.442,1272 1.513,1273 1.06,1274 1.003,1275 1.22,1276 1.401,1277 0.363,1278 1.318,1279 4.443,1281 5.808,1282 3.434,1283 7.349,1284 5.778,1285 8.972,1286 7.854,1287 10.642,1291 39.619,1295 0.745,1296 5.4,1297 5.686,1299 0.179,1300 2.069,1301 -4.45,1305 38.965,1306 106.73,1307 240.24,1308 291.988,1309 314.253,1310 319.008,1311 319.008,1312 70.715,1313 8.762,1314 110.09,1315 110.09,1316 33,1317 13.07,1318 4.585,1319 3.7,1320 51.051,1321 176,1322 215,1323 0.136,1324 230.366,1325 400.75,1326 553.854,1327 86721,1328 5.2,1329 25.57,1330 0.691,1331 0.522,1332 23.07,1333 19.313,1334 17.821,1335 0.424,1336 0.276,1337 11.32,1338 16.754,1339 11.232,1340 9.13,1341 16.674,1342 11.593,1343 17.525,1344 0.283,1345 0.144,1346 15.169,1347 8.921,1348 13.698,1349 0.169,1350 0.078,1351 13.347,1352 6.298,1353 12.341,1354 0.107,1355 0.041,1356 11.808,1357 4.666,1358 9.926,1359 0.068,1360 0.02,1361 9.36,1362 2.989,1363 0.216,1364 114.359,1365 0.188,1366 33.796,1367 0.369,1368 208,1369 824.341,1370 247.593,1371 707.384,1372 944.11,1373 660,1374 247,1375 685.418,1376 280.598,1377 665.521,1378 997.2,1379 627,1380 6.22}
{0 CHEMBL576090,1 1.588,2 17.605,3 3.314,4 10.983,5 161.374,6 7.458,7 0.449,8 4.479,9 4.609,10 4.058,11 3.973,12 5.527,13 3.969,14 5.059,15 5.24,16 4.451,17 4.394,18 6.098,19 4.37,20 5.336,21 5.566,22 4.457,23 4.508,24 6.322,25 4.448,26 5.303,27 5.553,28 4.412,29 4.457,30 6.332,31 4.395,32 5.215,33 5.427,34 4.422,35 4.435,36 6.314,37 4.394,38 5.209,39 5.412,40 4.418,41 4.487,42 6.26,43 4.436,44 5.256,45 5.465,46 4.371,47 4.535,48 6.224,49 4.444,50 5.323,51 5.583,52 4.211,53 4.47,54 6.315,55 4.328,56 0.107,57 1.266,58 16.312,59 6.577,60 10.59,61 8.986,62 0.496,63 2.052,64 32.413,65 11.087,66 38.959,67 15.813,68 0.75,69 2.432,70 46.948,71 13.939,72 66.023,73 20.757,74 0.67,75 2.339,76 45.961,77 13.598,78 72.297,79 20.528,80 0.582,81 2.165,82 40.78,83 12.781,84 77.654,85 18.326,86 0.67,87 2.259,88 39.423,89 12.571,90 69.076,91 17.881,92 0.534,93 2.337,94 40.721,95 14.65,96 47.039,97 21.073,98 0.797,99 2.242,100 47.257,101 16.84,102 105.29,103 24.752,104 11,105 70,106 0.241,107 0.578,108 0.719,109 0.788,110 0.803,111 0.815,112 3.787,113 0.919,114 -5.33,115 -5.22,116 -4.88,119 39.7,120 1,121 4,125 5,127 2,142 8,143 3,144 2,145 1,147 1,149 1,158 1,159 1,161 1,166 1,168 1,172 10,174 3,175 13,178 3,179 1,180 5,183 8,186 3,187 10,192 8,195 4,198 5,199 15,204 8,207 2,211 1,212 16,217 4,220 6,224 10,227 3,228 1,229 2,232 11,236 3,237 9,240 1,245 16,249 3,250 2,253 6,254 1,255 1,258 14,262 1,263 3,266 2,268 2,271 10,275 4068,276 29.676,277 29.676,278 29.676,279 29.676,280 29.676,281 26.948,282 39.139,283 17.293,284 30.297,285 24.195,286 24.195,287 24.195,288 24.195,289 24.195,290 19.845,291 53.266,292 8.232,293 25.205,294 4.697,295 2.474,296 1.538,297 1.087,298 0.984,299 0.907,300 4.509,306 1720,307 4.062,310 375.527,311 562.806,312 145.516,314 206.29,318 2.86,319 41.201,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 93.5,331 757,332 4.675,333 3.573,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.207,342 3.555,343 6.152,344 3.863,345 2.882,346 3.795,347 0.98,348 9.109,349 2.853,350 4.168,351 3.399,352 6.11,353 3.816,354 2.866,355 3.772,356 0.86,357 8.944,358 2.738,359 3.986,360 3.148,361 6.061,362 3.764,363 2.792,364 3.322,365 0.8,366 8.734,367 2.658,368 3.891,369 2.796,370 5.65,371 3.581,372 2.619,373 3.199,374 0.4,375 7.727,376 2.514,377 3.729,378 2.72,379 5.561,380 3.432,381 2.48,382 3.081,383 0.247,384 7.61,385 2.363,386 3.64,387 2.699,388 5.361,389 3.378,390 2.442,391 2.764,393 7.026,394 2.275,395 3.489,396 2.555,397 5.277,398 3.269,399 2.299,400 2.619,402 6.737,403 2.221,404 3.33,405 2.401,406 5.009,407 2.897,408 1.898,409 2.47,411 5.638,412 1.883,413 2.978,414 2.093,415 4.879,416 2.839,417 1.879,418 2.158,420 5.443,421 1.794,422 2.95,423 1.961,424 4.671,425 2.706,426 1.757,427 2.057,428 5.077,429 1.66,430 2.879,431 1.885,432 4.415,433 2.448,434 1.488,435 1.879,436 4.254,437 1.426,438 2.781,439 1.535,440 4.28,441 2.391,442 1.397,443 1.793,445 3.591,446 1.378,447 2.625,448 1.326,449 4.082,450 2.17,451 1.237,452 1.667,454 3.538,455 1.152,456 2.5,457 1.26,458 3.664,459 2.028,460 1.02,461 1.5,463 2.32,464 1.022,465 20.1,466 0.467,467 0.998,468 0.023,469 54.25,470 1.262,471 24.5,472 0.57,473 29.75,474 0.692,475 41.477,476 0.965,477 46.5,478 0.596,479 45.921,480 1.068,481 10.18,482 0.237,483 10.838,484 0.252,485 0.058,487 0.358,493 0.764,494 1.403,495 0.765,496 1.139,497 0.568,498 0.976,499 0.863,500 1.201,501 0.879,502 1.053,503 0.532,504 0.977,505 1.194,506 1.132,507 1.022,508 0.965,509 0.87,510 0.964,511 0.994,512 0.951,513 0.923,514 0.895,515 0.976,516 0.881,517 1.306,518 1.118,519 0.971,520 0.959,521 1.691,522 0.919,523 1.248,524 0.971,525 1.136,526 0.949,527 1.299,528 1.004,529 0.79,530 1.163,531 1.137,532 1.235,533 0.657,534 1.238,535 0.444,536 0.903,537 0.971,538 1.126,539 0.444,540 1.138,541 9,542 0.254,543 4.222,544 2.576,545 2.07,546 1.754,547 0.834,548 0.604,549 0.473,550 0.375,551 40034,552 94296,553 2.195,554 44.9,556 20,558 1,559 3,561 11,564 1.811,565 2.098,566 4.016,567 0.756,573 123.872,574 1.588,575 3.812,576 4.747,577 5.199,578 5.301,579 5.378,580 3.47,581 4.915,582 5.396,583 4.296,584 3879.41,585 9.515,586 75408.6,591 490.261,592 1.253,593 5.377,594 0.184,595 0.007,596 0.06,597 0.038,598 0.032,599 0.026,600 0.012,601 0.01,602 0.009,603 0.009,604 0.387,605 0.17,606 0.63,607 0.52,608 253.225,609 0.014,610 -0.148,611 0.076,612 -0.062,613 -0.012,614 0.002,615 0.099,616 -0.05,617 0.041,618 -0.045,619 0.113,620 -0.02,621 -0.109,622 -0.105,623 -0.033,624 -0.001,625 -0.004,626 -0.007,627 -0.034,628 0.072,629 0.069,630 0.055,631 0.028,632 0.081,633 -0.146,634 -0.084,635 0.009,636 0.031,637 -0.148,638 0.044,639 -0.189,640 0.138,641 -0.186,642 0.034,643 -0.173,644 -0.056,645 -0.011,646 -0.086,647 -0.218,648 -0.203,649 -0.061,650 -0.238,651 0.274,652 0.041,653 -0.004,654 -0.1,655 0.25,656 -0.1,657 2.046,658 5.693,659 0.791,660 62.74,661 1.005,662 1.135,663 4.104,664 16.841,665 0.658,666 3.912,667 4.263,668 4.564,669 4.868,670 5.088,671 5.263,672 5.455,673 5.617,674 5.765,675 5.927,676 10.409,677 0.631,678 581.75,679 3.912,680 5.476,681 6.344,682 7.235,683 8.116,684 9.012,685 9.9,686 10.8,687 11.694,688 12.597,689 11.5,692 1,695 1,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 78,733 24,734 2,735 49,737 84,738 31,739 17,740 4,741 8,742 1,746 7,747 9,751 1,752 1,755 6,758 6,761 19,762 12,766 2,771 2,775 2,781 35,782 11,783 3,784 12,790 9,793 1,794 0.714,795 3,801 1,803 1,806 1,808 1,811 3,812 4,813 1,815 1,839 1,840 5,844 1,848 43,854 9,855 3,856 1,858 2,859 2,870 3.8,873 2,874 1,877 20.5,878 14.117,879 9.25,880 5.075,881 4.299,882 1.458,883 1.023,884 7.91,885 13.685,886 4.143,887 4.73,888 5.313,889 5.914,890 6.452,891 6.842,892 7.319,893 7.756,894 8.084,895 8.497,896 1,897 68,898 15.987,900 7.006,901 7.659,902 30.939,904 26.398,905 2.159,906 92.833,910 376.675,911 144.158,912 112.046,914 61.29,917 144.158,918 437.965,919 112.046,920 8.825,921 74.576,922 75.81,923 129.715,924 33.736,925 6.604,926 364.904,928 376.675,929 256.205,930 61.29,933 249.521,934 179.772,935 11,937 98.943,938 104.7,939 50.234,941 376.675,942 173.336,943 144.158,946 376.675,947 50.476,948 101.585,949 53.91,950 111.524,951 376.675,952 173.336,953 144.158,955 0.586,956 0.345,957 0.19,958 0.098,959 36,960 15,961 0.083,962 7,963 3,964 1.147,965 5.417,966 450.352,967 0.176,968 33,969 215.329,974 28.079,975 12.114,976 6.049,977 1.754,978 171.56,979 16.174,980 14.442,984 4.108,985 1.895,986 53.91,987 694.17,988 62,993 25.135,997 -0.528,999 78.385,1000 88.511,1001 0.253,1002 0.606,1003 0.755,1004 0.827,1005 0.843,1006 0.856,1007 5.409,1008 2.299,1009 6.33,1010 7.026,1011 4.949,1012 5.418,1013 2.349,1014 7.146,1015 4.868,1016 6.599,1017 1.898,1018 7.886,1019 6.737,1020 4.511,1021 5.215,1022 1.305,1023 8.009,1024 4.387,1025 7.902,1026 1.879,1027 9.537,1028 5.638,1029 6.553,1030 7.583,1031 2.684,1032 11.116,1033 6.385,1034 9.238,1035 1.757,1036 11.243,1037 5.443,1038 6.938,1039 8.241,1040 2.354,1041 12.815,1042 6.724,1043 10.606,1044 1.488,1045 12.985,1046 5.077,1047 8.42,1048 10.09,1049 3.349,1050 15.433,1051 8.166,1052 11.998,1053 1.397,1054 14.754,1055 4.254,1056 9.187,1057 11.167,1058 3.414,1059 17.509,1060 8.884,1061 13.408,1062 1.237,1063 16.542,1064 3.591,1065 10.448,1066 12.81,1067 4.194,1068 19.97,1069 10.105,1070 3.264,1071 1.02,1072 18.345,1073 3.538,1074 11.401,1075 14.105,1076 4.466,1077 22.225,1078 11.008,1079 2.882,1080 11.414,1081 20.162,1082 2.32,1083 12.575,1084 15.664,1085 5.124,1086 24.642,1087 12.138,1088 2.866,1089 9.109,1090 21.99,1091 4.627,1092 13.621,1093 17.071,1094 5.504,1095 26.984,1096 13.133,1097 2.792,1098 8.944,1099 23.828,1100 3.795,1101 14.765,1102 18.6,1103 6.095,1104 29.394,1105 14.231,1106 2.619,1107 8.734,1108 25.675,1109 3.772,1110 15.861,1111 20.064,1112 6.531,1113 31.779,1114 15.273,1115 2.48,1116 7.727,1117 27.529,1118 3.322,1119 17,1120 21.585,1121 7.085,1122 34.194,1123 16.362,1124 2.442,1125 7.61,1126 29.391,1127 3.199,1128 18.122,1129 23.079,1130 7.551,1131 36.601,1132 17.43,1133 35931,1134 55387,1135 33.808,1136 51.313,1137 74.096,1138 75.939,1139 74.871,1140 73.86,1141 73.872,1142 92.551,1143 9.886,1144 215.568,1145 71.006,1146 5.675,1147 5.573,1148 6.459,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 16.173,1156 1.512,1157 1.55,1158 1.528,1159 1.507,1160 1.508,1161 1.889,1162 0.202,1163 4.399,1164 1.449,1165 4.135,1166 4.185,1167 4.11,1168 3.98,1169 7.432,1170 4.004,1171 3.96,1172 3.999,1173 3.908,1174 3.861,1175 7.428,1176 3.866,1177 3.901,1178 3.942,1179 3.827,1180 3.798,1181 5.137,1182 3.801,1183 3.871,1184 3.914,1185 3.791,1186 3.716,1187 4.762,1188 3.726,1189 3.81,1190 3.873,1191 3.688,1192 3.642,1193 4.716,1194 3.641,1195 3.504,1196 3.571,1197 3.445,1198 3.285,1199 4.67,1200 3.298,1201 3.436,1202 3.489,1203 3.334,1204 3.198,1205 4.484,1206 3.234,1207 3.259,1208 3.309,1209 3.188,1210 3.033,1211 4.378,1212 3.064,1213 0.095,1214 0.073,1215 0.14,1216 0.086,1217 0.067,1218 4.675,1219 0.094,1220 3.573,1221 0.034,1222 6.845,1223 0.233,1224 4.211,1225 0.063,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.031,1234 2.086,1235 1.255,1236 2.066,1237 1.907,1238 1.882,1239 2.002,1240 2.02,1241 1.224,1242 2.013,1243 1.792,1244 1.754,1245 1.907,1246 1.941,1247 1.211,1248 1.936,1249 1.619,1250 1.557,1251 1.86,1252 1.875,1253 1.113,1254 1.864,1255 1.604,1256 1.543,1257 1.86,1258 1.772,1259 1.093,1260 1.798,1261 1.577,1262 1.507,1263 1.85,1264 1.76,1265 1.042,1266 1.793,1267 1.51,1268 1.444,1269 1.689,1270 1.751,1271 0.96,1272 1.747,1273 1.466,1274 1.387,1275 1.68,1276 1.717,1277 0.835,1278 1.709,1279 4.595,1281 5.938,1282 3.434,1283 7.46,1284 5.733,1285 9.065,1286 7.758,1287 10.719,1289 2.051,1295 8.418,1296 8.602,1297 6.058,1299 0.476,1300 4.248,1305 49.185,1306 123.872,1307 297.326,1308 370.287,1309 405.506,1310 413.506,1311 419.506,1312 72.058,1313 9.385,1314 129.54,1315 129.54,1316 39,1317 13.119,1318 4.644,1319 3.807,1320 58.693,1321 274,1322 277,1323 0.102,1324 294.388,1325 508.43,1326 710.066,1327 213805,1329 29.338,1330 0.682,1331 0.561,1332 29.338,1333 24.123,1334 21.018,1335 0.429,1336 0.306,1337 14.77,1338 20.088,1339 14.54,1340 11.941,1341 21.018,1342 15.006,1343 19.247,1344 0.275,1345 0.161,1346 19.247,1347 11.3,1348 16.683,1349 0.176,1350 0.087,1351 16.683,1352 8.29,1353 14.483,1354 0.112,1355 0.047,1356 14.483,1357 6.068,1358 11.224,1359 0.07,1360 0.024,1361 11.224,1362 3.857,1363 0.168,1364 132.334,1365 0.172,1366 38.94,1367 0.261,1368 238,1369 666.076,1370 265.869,1371 639.205,1372 892,1373 602,1374 284,1375 681.95,1376 313.539,1377 680.245,1378 1006.06,1379 644,1380 6.991}
{0 CHEMBL576091,1 1.576,2 16.756,3 3.379,4 11.42,5 155.264,6 7.396,7 0.468,8 4.443,9 4.569,10 4.021,11 3.931,12 5.468,13 3.929,14 5.031,15 5.209,16 4.408,17 4.349,18 6.039,19 4.33,20 5.293,21 5.516,22 4.428,23 4.494,24 6.231,25 4.435,26 5.277,27 5.52,28 4.363,29 4.487,30 6.227,31 4.401,32 5.245,33 5.477,34 4.367,35 4.461,36 6.23,37 4.385,38 5.22,39 5.448,40 4.352,41 4.431,42 6.188,43 4.371,44 5.162,45 5.373,46 4.306,47 4.416,48 6.129,49 4.341,50 5.212,51 5.461,52 4.154,53 4.393,54 6.14,55 4.267,56 0.068,57 1.2,58 15.94,59 6.406,60 10.254,61 8.732,62 0.503,63 1.953,64 32.226,65 10.752,66 38.823,67 15.063,68 0.749,69 2.352,70 44.92,71 13.595,72 56.82,73 19.928,74 0.539,75 2.349,76 43.715,77 14.264,78 55.814,79 21.307,80 0.465,81 2.215,82 42.374,83 14.381,84 62.482,85 21.022,86 0.587,87 2.199,88 41.42,89 12.663,90 58.64,91 18.61,92 0.604,93 2.123,94 37.805,95 12.484,96 45.286,97 18.244,98 0.593,99 2.072,100 41.536,101 14.708,102 63.054,103 21.465,104 6,105 67,106 0.241,107 0.567,108 0.721,109 0.785,110 0.808,111 0.812,112 3.741,113 0.918,114 -4.71,115 -4.63,116 -4.35,119 40,120 1,121 2,125 7,127 2,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 12,178 2,179 1,180 4,183 6,186 3,187 9,192 4,195 4,198 5,199 11,204 5,207 2,211 1,212 14,215 1,217 4,220 4,224 11,227 2,229 1,232 7,236 4,237 9,240 1,245 12,249 2,250 2,253 5,255 1,258 12,263 5,266 1,271 8,275 3605,276 28.521,277 28.521,278 28.521,279 28.521,280 28.521,281 25.909,282 39.533,283 16.696,284 29.33,285 23.222,286 23.222,287 23.222,288 23.222,289 23.222,290 19.098,291 54.8,292 7.946,293 24.531,294 4.652,295 2.519,296 1.513,297 1.097,298 0.943,299 0.917,300 4.468,306 1570,307 3.536,310 208.387,311 679.62,312 134.69,314 189.848,318 2.664,319 34.384,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89,331 687,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.177,342 3.399,343 6.152,344 3.829,345 2.883,346 3.793,347 0.86,348 9.109,349 2.748,350 4.144,351 3.148,352 6.143,353 3.813,354 2.875,355 3.7,356 0.86,357 9.057,358 2.722,359 3.986,360 3.121,361 6.11,362 3.762,363 2.792,364 3.32,365 0.8,366 8.943,367 2.658,368 3.866,369 2.796,370 5.65,371 3.56,372 2.604,373 3.172,374 0.8,375 7.727,376 2.479,377 3.695,378 2.72,379 5.561,380 3.389,381 2.459,382 2.985,383 0.247,384 7.609,385 2.289,386 3.631,387 2.537,388 5.317,389 3.315,390 2.357,391 2.763,393 6.901,394 2.246,395 3.351,396 2.403,397 5.009,398 2.942,399 1.964,400 2.559,402 5.638,403 1.912,404 2.983,405 2.262,406 4.879,407 2.839,408 1.879,409 2.161,411 5.444,412 1.794,413 2.961,414 2.093,415 4.696,416 2.709,417 1.767,418 2.058,420 5.161,421 1.661,422 2.926,423 1.961,424 4.448,425 2.679,426 1.734,427 1.992,428 4.449,429 1.625,430 2.879,431 1.553,432 4.376,433 2.43,434 1.475,435 1.879,436 4.197,437 1.402,438 2.625,439 1.535,440 4.279,441 2.171,442 1.238,443 1.668,445 3.585,446 1.152,447 2.5,448 1.326,449 3.664,450 2.035,451 1.148,452 1.5,454 2.693,455 1.008,456 2.5,457 1.256,458 3.501,459 2,460 1,461 1.5,463 2.275,464 1,465 19.2,466 0.468,467 0.892,468 0.022,469 52.5,470 1.28,471 23.5,472 0.573,473 29,474 0.707,475 38.684,476 0.944,477 44.4,478 0.592,479 42.936,480 1.047,481 9.994,482 0.244,483 10.13,484 0.247,485 0.043,487 0.349,493 0.838,494 1.487,495 0.766,496 1.188,497 0.64,498 0.996,499 1.117,500 1.159,501 0.922,502 0.999,503 0.678,504 0.94,505 1.266,506 1.081,507 1.047,508 0.908,509 0.966,510 0.938,511 0.762,512 1.015,513 0.974,514 1.016,515 0.794,516 1.013,517 0.858,518 1.11,519 0.892,520 1.033,521 1.244,522 0.977,523 1.187,524 0.994,525 1.046,526 0.92,527 1.253,528 0.94,529 0.917,530 1.12,531 1.127,532 1.116,533 0.785,534 1.14,535 0.607,536 0.938,537 1.035,538 1.133,539 0.77,540 1.148,541 8,542 0.241,543 4,544 2.292,545 1.746,546 1.629,547 0.884,548 0.514,549 0.472,550 0.335,551 34699,552 80558,553 2.221,554 45.3,556 24,558 1,559 2,561 7,564 1.801,565 2.139,566 3.944,567 0.161,573 118.226,574 1.576,575 3.71,576 4.716,577 5.132,578 5.285,579 5.312,580 3.369,581 4.754,582 5.327,583 4.206,584 3448.68,585 9.382,586 63650.2,591 467.161,592 1.177,593 5.314,594 0.17,595 0.007,596 0.06,597 0.034,598 0.028,599 0.026,600 0.014,601 0.009,602 0.01,603 0.008,604 0.366,605 0.17,606 0.63,607 0.474,608 237.025,609 -0.005,610 -0.246,611 0.087,612 -0.109,613 -0.012,614 -0.014,615 0.008,616 -0.022,617 0.022,618 -0.002,619 0.087,620 0.005,621 -0.144,622 -0.037,623 -0.06,624 0.058,625 -0.052,626 0.015,627 0.001,628 0.037,629 -0.02,630 -0.037,631 0.053,632 -0.03,633 0.006,634 -0.1,635 0.069,636 -0.022,637 -0.012,638 0.025,639 -0.166,640 0.067,641 -0.07,642 0.043,643 -0.133,644 0.014,645 -0.006,646 -0.026,647 -0.185,648 -0.125,649 -0.054,650 -0.173,651 0.132,652 0.052,653 -0.079,654 -0.12,655 0.079,656 -0.131,657 1.967,658 5.689,659 0.854,660 56.012,661 1.004,662 1.133,663 3.484,664 12.137,665 0.657,666 3.871,667 4.22,668 4.533,669 4.844,670 5.1,671 5.252,672 5.455,673 5.617,674 5.765,675 5.922,676 9.783,677 0.629,678 554.72,679 3.871,680 5.434,681 6.304,682 7.197,683 8.081,684 8.979,685 9.871,686 10.773,687 11.67,688 12.574,689 10.7,695 2,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 2,731 75,733 23,734 2,735 47,737 81,738 30,739 17,740 4,741 8,746 7,747 9,751 1,752 1,755 4,758 4,761 18,762 12,766 1,771 1,775 1,781 34,782 10,783 2,784 11,790 8,794 0.714,795 3,801 1,803 1,806 1,811 2,812 5,813 1,815 1,839 2,840 5,844 1,848 41,854 9,855 2,856 2,858 2,859 2,870 4,873 1,874 2,877 19.167,878 13.617,879 8.833,880 4.825,881 4.242,882 1.454,883 1.024,884 7.417,885 13.584,886 4.094,887 4.684,888 5.277,889 5.891,890 6.445,891 6.825,892 7.312,893 7.754,894 8.085,895 8.491,896 0.909,897 67,898 15.22,900 6.628,901 7.577,902 29.688,904 25.322,905 2.077,906 85.167,910 376.675,911 143.141,912 94.281,914 47.145,917 143.141,918 423.82,919 94.281,920 8.825,921 60.804,922 75.81,923 110.865,924 33.429,925 6.604,926 364.904,928 376.675,929 237.421,930 47.145,933 296.605,934 107.543,935 22,937 82.168,938 102.691,939 50.234,941 376.675,942 141.425,943 143.141,946 376.675,947 49.458,948 101.708,949 36.022,950 97.379,951 376.675,952 141.425,953 143.141,955 0.584,956 0.345,957 0.194,958 0.105,959 35,960 14,961 0.074,962 6,963 3,964 1.143,965 5.25,966 427.42,967 0.171,968 34,969 201.66,974 26.506,975 11.474,976 5.585,977 1.789,978 139.649,979 17.363,980 14.478,984 4.957,985 1.91,986 36.022,987 661.241,988 59,993 12.689,997 -0.3,999 75.283,1000 85.012,1001 0.253,1002 0.596,1003 0.757,1004 0.824,1005 0.849,1006 0.853,1007 5.359,1008 1.964,1009 6.286,1010 6.901,1011 4.905,1012 5.373,1013 2.368,1014 7.106,1015 4.801,1016 6.544,1017 1.879,1018 7.843,1019 5.638,1020 4.443,1021 5.147,1022 1.404,1023 7.978,1024 4.288,1025 7.846,1026 1.767,1027 9.495,1028 5.444,1029 6.509,1030 7.542,1031 2.66,1032 11.094,1033 6.3,1034 9.181,1035 1.734,1036 11.204,1037 5.161,1038 6.878,1039 8.189,1040 2.382,1041 12.811,1042 6.615,1043 10.55,1044 1.475,1045 12.951,1046 4.449,1047 8.383,1048 10.055,1049 3.324,1050 15.433,1051 8.071,1052 11.943,1053 1.238,1054 14.725,1055 4.197,1056 9.143,1057 11.128,1058 3.421,1059 17.521,1060 8.774,1061 13.356,1062 1.148,1063 16.519,1064 3.585,1065 10.419,1066 12.781,1067 4.179,1068 19.983,1069 10.002,1070 3.264,1071 1,1072 18.328,1073 2.693,1074 11.372,1075 14.075,1076 4.467,1077 22.243,1078 10.897,1079 2.883,1080 11.414,1081 20.15,1082 2.275,1083 12.554,1084 15.64,1085 5.118,1086 24.659,1087 12.031,1088 2.875,1089 9.109,1090 21.984,1091 4.627,1092 13.603,1093 17.049,1094 5.504,1095 27.002,1096 13.023,1097 2.792,1098 9.057,1099 23.826,1100 3.793,1101 14.753,1102 18.581,1103 6.093,1104 29.41,1105 14.123,1106 2.604,1107 8.943,1108 25.677,1109 3.7,1110 15.85,1111 20.048,1112 6.531,1113 31.794,1114 15.164,1115 2.459,1116 7.727,1117 27.535,1118 3.32,1119 16.993,1120 21.57,1121 7.084,1122 34.207,1123 16.255,1124 2.357,1125 7.609,1126 29.399,1127 3.172,1128 18.117,1129 23.067,1130 7.551,1131 36.612,1132 17.324,1133 30975,1134 47405,1135 32.709,1136 49.307,1137 71.149,1138 72.332,1139 71.887,1140 70.902,1141 70.902,1142 88.537,1143 10.446,1144 206.689,1145 67.236,1146 5.675,1147 5.562,1148 6.647,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 12.658,1156 1.514,1157 1.539,1158 1.53,1159 1.509,1160 1.509,1161 1.884,1162 0.222,1163 4.398,1164 1.431,1165 4.134,1166 4.185,1167 4.11,1168 3.98,1169 7.431,1170 4.004,1171 3.962,1172 4.004,1173 3.904,1174 3.854,1175 5.137,1176 3.86,1177 3.9,1178 3.942,1179 3.826,1180 3.797,1181 4.785,1182 3.801,1183 3.872,1184 3.913,1185 3.79,1186 3.715,1187 4.743,1188 3.726,1189 3.69,1190 3.741,1191 3.58,1192 3.483,1193 4.67,1194 3.497,1195 3.49,1196 3.564,1197 3.406,1198 3.283,1199 4.585,1200 3.289,1201 3.395,1202 3.443,1203 3.302,1204 3.144,1205 4.484,1206 3.182,1207 3.205,1208 3.299,1209 3.04,1210 2.982,1211 4.052,1212 2.986,1213 0.099,1214 0.076,1215 0.146,1216 0.09,1217 0.069,1218 4.675,1219 0.098,1220 3.562,1221 0.035,1222 6.845,1223 0.243,1224 4.211,1225 0.066,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.037,1234 2.086,1235 1.255,1236 2.067,1237 1.913,1238 1.88,1239 2.021,1240 2.049,1241 1.236,1242 2.043,1243 1.792,1244 1.755,1245 1.908,1246 1.949,1247 1.224,1248 1.941,1249 1.634,1250 1.58,1251 1.86,1252 1.877,1253 1.111,1254 1.865,1255 1.619,1256 1.557,1257 1.85,1258 1.852,1259 1.043,1260 1.853,1261 1.604,1262 1.543,1263 1.849,1264 1.76,1265 1.019,1266 1.798,1267 1.509,1268 1.444,1269 1.681,1270 1.718,1271 0.835,1272 1.71,1273 1.266,1274 1.223,1275 1.513,1276 1.552,1277 0.825,1278 1.51,1279 4.554,1281 5.894,1282 3.045,1283 7.426,1284 5.416,1285 9.042,1286 7.506,1287 10.705,1289 2.062,1295 7.793,1296 5.826,1297 11.489,1299 0.505,1300 4.606,1305 47.164,1306 118.226,1307 278.226,1308 353.677,1309 384.897,1310 396.407,1311 398.407,1312 60.063,1313 9.342,1314 109.67,1315 109.67,1316 40,1317 13.095,1318 4.585,1319 3.7,1320 54.679,1321 243,1322 264,1323 0.107,1324 280.929,1325 482.77,1326 677.226,1327 199710,1329 27.761,1330 0.677,1331 0.564,1332 27.761,1333 23.123,1334 20.124,1335 0.428,1336 0.306,1337 14.133,1338 19.178,1339 13.911,1340 11.373,1341 20.124,1342 14.379,1343 18.282,1344 0.273,1345 0.16,1346 18.282,1347 10.734,1348 16.015,1349 0.174,1350 0.087,1351 16.015,1352 8.021,1353 14.026,1354 0.111,1355 0.047,1356 14.026,1357 5.903,1358 11.463,1359 0.07,1360 0.025,1361 11.463,1362 4.049,1363 0.174,1364 126.948,1365 0.175,1366 37.334,1367 0.275,1368 228,1369 631.743,1370 254.813,1371 601.048,1372 844,1373 570,1374 273,1375 643.316,1376 301.316,1377 641.359,1378 952.18,1379 608,1380 6.757}
{0 CHEMBL576143,1 1.643,2 13.297,3 1.477,4 2.181,5 136.119,6 7.372,7 0.39,8 4.35,9 4.48,10 3.91,11 3.776,12 5.422,13 3.785,14 4.933,15 5.127,16 4.286,17 4.181,18 6.002,19 4.168,20 5.167,21 5.384,22 4.362,23 4.352,24 6.161,25 4.314,26 5.264,27 5.498,28 4.347,29 4.392,30 6.297,31 4.341,32 5.217,33 5.44,34 4.329,35 4.418,36 6.205,37 4.35,38 5.232,39 5.468,40 4.326,41 4.419,42 6.175,43 4.344,44 5.204,45 5.436,46 4.315,47 4.396,48 6.167,49 4.322,50 5.212,51 5.447,52 4.266,53 4.404,54 6.197,55 4.308,56 0.113,57 1.08,58 14.857,59 5.508,60 10.054,61 7.898,62 0.788,63 1.682,64 30.529,65 8.921,66 51.89,67 13.423,68 0.673,69 2.024,70 39.299,71 11.195,72 52.987,73 17.409,74 0.993,75 2.126,76 44.875,77 11.943,78 91.251,79 18.352,80 0.698,81 2.106,82 41.41,83 12.806,84 71.827,85 19.433,86 0.754,87 2.158,88 42.144,89 12.478,90 58.538,91 19.576,92 0.749,93 2.084,94 40.759,95 12.236,96 56.59,97 19.264,98 0.771,99 2.041,100 41.188,101 13.916,102 69.811,103 20.57,104 35,105 58,106 0.258,107 0.609,108 0.812,109 0.848,110 0.848,111 0.848,112 3.642,113 0.915,114 -3.7,115 -3.66,116 -3.49,119 36.2,120 1,121 2,124 2,125 5,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 12,178 2,179 1,180 2,183 5,186 2,187 7,192 2,195 2,198 6,199 14,204 3,207 3,211 2,212 9,217 2,220 3,223 3,224 12,227 2,229 1,232 4,236 5,237 6,245 5,249 6,250 5,253 4,255 1,258 6,263 6,266 1,271 4,275 2846,276 25.273,277 25.273,278 25.273,279 25.273,280 25.273,281 23.254,282 34.805,283 14.661,284 26.121,285 20.1,286 20.1,287 20.1,288 20.1,289 20.1,290 16.74,291 45.442,292 6.812,293 21.296,294 4.465,295 2.228,296 0.931,297 0.699,298 0.699,299 0.699,300 4.347,306 1060,307 3.808,310 87.793,311 442.802,314 157.846,318 1.975,319 39.04,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 82,331 492,332 4.694,333 3.761,334 6.904,335 4.239,336 3.291,337 4.638,338 2.208,339 11.622,340 3.121,341 4.185,342 3.54,343 6.338,344 3.842,345 2.895,346 3.796,347 1.656,348 9.632,349 2.763,350 4.022,351 3.386,352 6.109,353 3.757,354 2.791,355 3.372,356 0.86,357 8.944,358 2.672,359 3.915,360 3.076,361 6.012,362 3.653,363 2.728,364 3.163,365 0.8,366 8.5,367 2.511,368 3.819,369 2.846,370 5.599,371 3.492,372 2.534,373 3.091,374 0.655,375 7.352,376 2.421,377 3.513,378 2.688,379 5.464,380 3.327,381 2.376,382 2.691,383 0.247,384 7.24,385 2.247,386 3.442,387 2.436,388 5.064,389 3.03,390 2.061,391 2.572,392 0.13,393 5.951,394 2.001,395 3.208,396 2.394,397 4.782,398 2.993,399 2.043,400 2.283,402 5.327,403 1.911,404 2.96,405 2.125,406 4.627,407 2.528,408 1.584,409 2.159,411 4.486,412 1.484,413 2.779,414 1.602,415 4.399,416 2.44,417 1.488,418 1.791,420 4.228,421 1.412,422 2.623,423 1.535,424 4.206,425 2.295,426 1.365,427 1.656,428 3.606,429 1.259,430 2.5,431 1.506,432 3.94,433 2.055,434 1.146,435 1.5,436 2.866,437 1.033,438 2.424,439 1.461,440 3.657,441 2.02,442 1.072,443 1.391,445 2.602,446 1.011,447 2.201,448 1.114,449 3.461,450 2,451 1,452 1.185,454 2.275,455 1,456 2,457 1.096,458 3.414,459 1.984,460 1,461 1,463 2.275,464 0.983,465 17.033,466 0.46,467 0.883,468 0.024,469 44.25,470 1.196,471 18,472 0.486,473 26.25,474 0.709,475 36.998,476 1,477 41.767,478 0.605,479 38.377,480 1.037,481 8.75,482 0.236,483 9.212,484 0.249,485 0.127,487 0.364,493 0.809,494 1.673,495 0.775,496 1.331,497 0.582,498 1.081,499 0.896,500 1.057,501 0.865,502 0.888,503 0.546,504 0.869,505 1.049,506 1.242,507 0.954,508 1.026,509 0.796,510 0.973,511 1.235,512 0.886,513 1.094,514 0.847,515 1.368,516 0.919,517 0.944,518 1.148,519 1.001,520 1.05,521 1.009,522 1.038,523 0.784,524 1.08,525 1.008,526 1.029,527 0.689,528 1.044,529 0.7,530 1.124,531 0.982,532 1.071,533 0.484,534 1.066,535 0.582,536 0.93,537 0.997,538 1.141,539 0.493,540 1.146,541 7.5,542 0.405,543 4.667,544 2.097,545 1.876,546 1.643,547 1.102,548 0.645,549 0.437,550 0.407,551 20204,552 56355,553 2.1,554 46.4,556 22,558 1,559 2,561 3,562 4,564 1.787,565 1.965,566 3.641,567 0.243,573 113.392,574 1.643,575 3.881,576 5.177,577 5.409,578 5.409,579 5.409,580 3.125,581 4.865,582 5.17,583 3.843,584 2559.24,585 9.14,586 41073,591 421.488,592 1.414,593 5.14,594 0.183,595 0.01,596 0.08,597 0.034,598 0.031,599 0.027,600 0.019,601 0.011,602 0.008,603 0.008,604 0.412,605 0.33,606 0.63,607 1.127,608 202.231,609 -0.028,610 -0.351,611 0.078,612 -0.176,613 -0.016,614 -0.051,615 0.131,616 0.099,617 0.086,618 0.122,619 0.135,620 0.094,621 -0.113,622 -0.154,624 -0.017,625 -0.011,626 0.009,627 -0.189,628 0.172,629 -0.108,630 0.105,631 -0.18,632 0.028,633 -0.101,634 -0.078,635 -0.061,636 -0.012,637 -0.12,638 -0.029,639 -0.033,640 0.012,641 -0.072,642 -0.023,643 -0.066,644 -0.049,645 0.043,646 -0.031,647 -0.05,648 -0.054,649 0.038,650 -0.064,651 0.135,652 0.139,653 -0.071,654 -0.096,655 0.126,656 -0.121,657 1.966,658 4.939,659 0.73,660 48.39,661 1.011,662 1.142,663 2.465,664 6.077,665 0.638,666 3.738,667 4.078,668 4.382,669 4.663,670 4.949,671 5.142,672 5.394,673 5.595,674 5.768,675 5.948,676 7.745,677 0.614,678 508.65,679 3.738,680 5.293,681 6.159,682 7.048,683 7.935,684 8.834,685 9.732,686 10.639,687 11.545,688 12.457,689 11.6,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 69,733 18,734 1,735 41,737 73,738 25,739 11,740 2,741 4,746 5,747 6,751 1,752 1,755 4,758 4,761 13,762 12,766 2,771 2,775 2,781 32,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 3,848 37,854 7,855 2,856 2,858 2,859 2,870 5.8,873 2,874 1,875 1,877 18.833,878 13.2,879 8.194,880 4.201,881 3.155,882 1.368,883 0.971,884 7.789,885 11.727,886 3.951,887 4.519,888 5.104,889 5.704,890 6.281,891 6.744,892 7.277,893 7.76,894 8.134,895 8.562,896 1,897 62,898 13.715,900 5.843,901 7.757,902 26.244,904 21.636,905 2.257,906 83.5,910 353.133,911 119.066,912 94.281,914 72.29,917 119.066,918 425.423,919 94.281,920 28.105,921 57.23,922 37.905,923 125.01,924 35.791,925 13.366,926 341.362,928 353.133,929 213.347,930 72.29,933 273.063,934 143.687,935 11,937 78.595,938 82.19,939 50.234,941 353.133,942 166.57,943 119.066,946 353.133,947 44.009,948 83.082,949 36.022,950 122.524,951 353.133,952 166.57,953 119.066,955 0.582,956 0.346,957 0.179,958 0.1,959 28,960 13,961 0.068,962 5,963 1,964 1.074,965 4.613,966 373.15,967 0.074,968 27,969 184.75,974 25.704,975 11.212,976 5.515,977 1.661,978 164.794,979 9.294,980 14.678,984 2.928,985 1.976,986 36.022,987 638.77,988 51,993 23.599,997 -0.581,999 69.727,1000 78.806,1001 0.269,1002 0.635,1003 0.848,1004 0.885,1005 0.885,1006 0.885,1007 5.215,1008 2.043,1009 6.151,1010 5.951,1011 4.762,1012 5.207,1013 2.857,1014 6.982,1015 4.653,1016 6.404,1017 1.584,1018 7.723,1019 5.327,1020 4.369,1021 5.056,1022 2.2,1023 7.921,1024 4.217,1025 7.711,1026 1.488,1027 9.392,1028 4.486,1029 6.378,1030 7.376,1031 3.824,1032 11.031,1033 6.162,1034 9.052,1035 1.365,1036 11.12,1037 4.228,1038 6.804,1039 8.095,1040 3.876,1041 12.807,1042 6.539,1043 10.429,1044 1.146,1045 12.885,1046 3.606,1047 8.276,1048 9.914,1049 5.122,1050 15.445,1051 7.956,1052 11.829,1053 1.072,1054 14.677,1055 2.866,1056 9.075,1057 11.047,1058 5.498,1059 17.579,1060 8.704,1061 13.25,1062 1,1063 16.489,1064 2.602,1065 10.338,1066 12.679,1067 6.553,1068 20.066,1069 9.915,1070 3.291,1071 1,1072 18.316,1073 2.275,1074 11.319,1075 14.017,1076 7.101,1077 22.362,1078 10.843,1079 2.895,1080 11.622,1081 20.156,1082 2.275,1083 12.502,1084 15.576,1085 8.048,1086 24.803,1087 11.975,1088 2.791,1089 9.632,1090 22.006,1091 4.638,1092 13.572,1093 17.014,1094 8.696,1095 27.175,1096 12.992,1097 2.728,1098 8.944,1099 23.866,1100 3.796,1101 14.73,1102 18.549,1103 9.58,1104 29.608,1105 14.099,1106 2.534,1107 8.5,1108 25.732,1109 3.372,1110 15.846,1111 20.035,1112 10.287,1113 32.016,1114 15.162,1115 2.376,1116 7.352,1117 27.606,1118 3.163,1119 17,1120 21.563,1121 11.134,1122 34.451,1123 16.265,1124 2.061,1125 7.24,1126 29.485,1127 3.091,1128 18.141,1129 23.073,1130 11.875,1131 36.878,1132 17.353,1133 19333,1134 32411,1135 27.452,1136 44,1137 61.88,1138 64.122,1139 64.404,1140 61.28,1141 61.349,1142 75.654,1143 13.112,1144 179.463,1145 58.037,1146 5.694,1147 5.761,1148 6.456,1149 5.344,1150 5.291,1151 7.638,1152 3.912,1153 19.18,1154 5.121,1155 19.334,1156 1.509,1157 1.564,1158 1.571,1159 1.495,1160 1.496,1161 1.845,1162 0.32,1163 4.377,1164 1.416,1165 4.141,1166 4.192,1167 4.117,1168 3.983,1169 7.434,1170 4.009,1171 3.902,1172 3.942,1173 3.845,1174 3.806,1175 7.43,1176 3.811,1177 3.824,1178 3.878,1179 3.731,1180 3.648,1181 5.135,1182 3.657,1183 3.749,1184 3.803,1185 3.646,1186 3.543,1187 4.752,1188 3.557,1189 3.549,1190 3.617,1191 3.474,1192 3.254,1193 4.639,1194 3.299,1195 3.428,1196 3.46,1197 3.34,1198 3.13,1199 4.522,1200 3.175,1201 3.283,1202 3.37,1203 3.155,1204 3.09,1205 4.477,1206 3.077,1207 3.219,1208 3.298,1209 3.054,1210 2.999,1211 4.206,1212 3.02,1213 0.114,1214 0.092,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.761,1221 0.054,1222 6.904,1223 0.283,1224 4.239,1225 0.076,1226 3.291,1227 4.638,1228 2.208,1229 11.622,1230 3.121,1231 1.956,1232 1.924,1233 2.05,1234 2.104,1235 1.409,1236 2.086,1237 1.848,1238 1.798,1239 2.014,1240 2.025,1241 1.248,1242 2.023,1243 1.788,1244 1.739,1245 1.958,1246 1.975,1247 1.109,1248 1.972,1249 1.625,1250 1.58,1251 1.754,1252 1.83,1253 0.923,1254 1.806,1255 1.425,1256 1.35,1257 1.694,1258 1.726,1259 0.868,1260 1.716,1261 1.343,1262 1.293,1263 1.627,1264 1.674,1265 0.825,1266 1.636,1267 1.293,1268 1.209,1269 1.601,1270 1.531,1271 0.688,1272 1.562,1273 1.2,1274 1.123,1275 1.513,1276 1.507,1277 0.632,1278 1.503,1279 4.419,1281 5.753,1282 2.398,1283 7.284,1284 4.727,1285 8.903,1286 6.862,1287 10.571,1289 5.036,1295 4.803,1296 5.312,1297 10.641,1299 0.201,1300 3.951,1305 42.352,1306 113.392,1307 267.782,1308 357.224,1309 373.224,1310 373.224,1311 373.224,1312 67.374,1313 8.572,1314 126.74,1315 126.74,1316 29,1317 12.973,1318 4.248,1319 3.459,1320 56.442,1321 166,1322 206,1323 0.163,1324 257.605,1325 445.96,1326 620.316,1327 63061,1329 25.941,1330 0.701,1331 0.576,1332 25.941,1333 21.307,1334 17.961,1335 0.438,1336 0.305,1337 12.232,1338 16.917,1339 11.949,1340 9.861,1341 17.961,1342 12.504,1343 16.086,1344 0.277,1345 0.16,1346 16.086,1347 9.294,1348 14.077,1349 0.178,1350 0.087,1351 14.077,1352 6.845,1353 11.471,1354 0.109,1355 0.046,1356 11.471,1357 4.877,1358 9.537,1359 0.068,1360 0.025,1361 9.537,1362 3.467,1363 0.254,1364 114.868,1365 0.191,1366 33.458,1367 0.454,1368 198,1369 621.479,1370 226.361,1371 582.509,1372 798.14,1373 548,1374 236,1375 592.459,1376 264.869,1377 590.589,1378 871.58,1379 554,1380 6.572}
{0 CHEMBL576304,1 1.606,2 16.756,3 2.768,4 7.661,5 153.421,6 7.51,7 0.468,8 4.436,9 4.562,10 4.025,11 3.908,12 5.475,13 3.914,14 5.023,15 5.203,16 4.412,17 4.324,18 6.046,19 4.313,20 5.277,21 5.5,22 4.433,23 4.464,24 6.235,25 4.414,26 5.259,27 5.505,28 4.366,29 4.446,30 6.231,31 4.374,32 5.207,33 5.435,34 4.372,35 4.424,36 6.243,37 4.36,38 5.182,39 5.405,40 4.35,41 4.411,42 6.158,43 4.356,44 5.153,45 5.363,46 4.31,47 4.401,48 6.132,49 4.331,50 5.205,51 5.456,52 4.157,53 4.37,54 6.144,55 4.251,56 0.089,57 1.206,58 15.432,59 6.106,60 10.36,61 8.369,62 0.569,63 1.94,64 31.63,65 10.251,66 39.974,67 14.434,68 0.821,69 2.311,70 43.99,71 12.876,72 58.515,73 19.042,74 0.628,75 2.296,76 42.984,77 13.036,78 58.446,79 19.886,80 0.644,81 2.15,82 40.468,83 13.138,84 70.978,85 19.356,86 0.578,87 2.142,88 39.044,89 12.028,90 53.023,91 17.739,92 0.635,93 2.1,94 37.004,95 12.091,96 45.396,97 17.743,98 0.648,99 2.036,100 41.265,101 14.115,102 65.207,103 20.823,104 6,105 67,106 0.246,107 0.579,108 0.752,109 0.82,110 0.83,111 0.83,112 3.741,113 0.909,114 -4.62,115 -4.54,116 -4.27,119 39.2,120 1,121 2,125 7,127 2,142 6,143 2,144 2,145 2,147 2,149 1,159 1,161 1,166 1,172 6,174 4,175 12,178 2,179 1,180 3,183 4,186 3,187 9,190 1,192 3,195 2,198 5,199 10,204 4,207 2,211 3,212 12,215 2,217 3,220 4,224 10,227 2,229 1,232 5,236 4,237 11,240 1,245 8,249 2,250 4,253 5,255 1,258 9,263 6,266 1,271 7,275 3605,276 28.521,277 28.521,278 28.521,279 28.521,280 28.521,281 25.909,282 39.533,283 16.696,284 29.387,285 23.222,286 23.222,287 23.222,288 23.222,289 23.222,290 19.098,291 54.8,292 7.946,293 24.626,294 4.603,295 2.431,296 1.301,297 0.858,298 0.794,299 0.794,300 4.468,306 1570,307 3.536,310 208.387,311 679.62,312 134.69,314 189.848,318 2.664,319 36.7,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89.5,331 687,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.177,342 3.399,343 6.152,344 3.819,345 2.883,346 3.793,347 0.86,348 9.109,349 2.741,350 4.144,351 3.148,352 6.143,353 3.806,354 2.875,355 3.7,356 0.86,357 9.057,358 2.679,359 3.986,360 3.121,361 6.11,362 3.761,363 2.792,364 3.32,365 0.8,366 8.943,367 2.657,368 3.866,369 2.796,370 5.65,371 3.559,372 2.604,373 3.172,374 0.8,375 7.727,376 2.474,377 3.695,378 2.72,379 5.561,380 3.389,381 2.459,382 2.985,383 0.247,384 7.609,385 2.287,386 3.631,387 2.537,388 5.317,389 3.313,390 2.357,391 2.763,393 6.901,394 2.244,395 3.351,396 2.403,397 5.009,398 2.937,399 1.964,400 2.559,402 5.638,403 1.904,404 2.983,405 2.262,406 4.879,407 2.839,408 1.879,409 2.161,411 5.444,412 1.794,413 2.961,414 2.093,415 4.696,416 2.708,417 1.767,418 2.058,420 5.161,421 1.661,422 2.926,423 1.961,424 4.448,425 2.67,426 1.734,427 1.992,428 4.449,429 1.606,430 2.879,431 1.553,432 4.376,433 2.43,434 1.475,435 1.879,436 4.197,437 1.402,438 2.625,439 1.535,440 4.279,441 2.171,442 1.238,443 1.668,445 3.585,446 1.152,447 2.5,448 1.326,449 3.664,450 2.029,451 1.148,452 1.5,454 2.693,455 1.005,456 2.5,457 1.256,458 3.501,459 2,460 1,461 1.5,463 2.275,464 1,465 19.1,466 0.466,467 0.892,468 0.022,469 53,470 1.293,471 23.5,472 0.573,473 29.5,474 0.72,475 38.315,476 0.935,477 44.5,478 0.601,479 43.305,480 1.056,481 10.072,482 0.246,483 10.051,484 0.245,485 0.044,487 0.351,493 0.845,494 1.546,495 0.751,496 1.217,497 0.636,498 1.002,499 1.107,500 1.148,501 0.91,502 0.991,503 0.684,504 0.929,505 1.249,506 1.096,507 1.036,508 0.916,509 0.968,510 0.939,511 0.832,512 1.006,513 0.977,514 0.975,515 0.848,516 0.978,517 0.857,518 1.055,519 0.915,520 1,521 1.258,522 0.97,523 1.094,524 1.028,525 1.035,526 0.965,527 1.114,528 0.972,529 0.904,530 1.147,531 1.124,532 1.146,533 0.77,534 1.161,535 0.628,536 0.937,537 1.029,538 1.128,539 0.769,540 1.142,541 8,542 0.241,543 4,544 2.292,545 1.746,546 1.629,547 0.884,548 0.514,549 0.472,550 0.335,551 34699,552 82988,553 2.221,554 44.6,556 22,558 2,559 2,561 7,564 1.801,565 2.139,566 3.944,567 0.185,573 118.869,574 1.606,575 3.778,576 4.909,577 5.351,578 5.415,579 5.415,580 3.369,581 4.754,582 5.327,583 4.206,584 3448.68,585 9.382,586 63650.2,591 459.5,592 1.177,593 5.314,594 0.17,595 0.007,596 0.06,597 0.034,598 0.028,599 0.026,600 0.014,601 0.009,602 0.01,603 0.008,604 0.366,605 0.17,606 0.63,607 0.474,608 237.025,609 -0.017,610 -0.292,611 0.087,612 -0.132,613 -0.008,614 -0.025,615 0.006,616 -0.01,617 0.027,618 0.004,619 0.085,620 0.011,621 -0.137,622 -0.058,623 -0.052,624 0.05,625 -0.049,626 0.014,627 -0.034,628 0.046,629 -0.016,630 -0.01,631 0.03,632 -0.005,633 0.046,634 -0.025,635 0.044,636 0.004,637 0.009,638 0.021,639 -0.154,640 0.042,641 -0.079,642 0.015,643 -0.117,644 -0.007,645 -0.014,646 -0.056,647 -0.191,648 -0.145,649 -0.053,650 -0.189,651 0.119,652 0.047,653 -0.07,654 -0.114,655 0.078,656 -0.122,657 2.007,658 5.662,659 0.854,660 56.012,661 1.007,662 1.136,663 3.386,664 11.465,665 0.656,666 3.871,667 4.22,668 4.533,669 4.844,670 5.1,671 5.252,672 5.455,673 5.617,674 5.765,675 5.922,676 9.783,677 0.631,678 555.71,679 3.871,680 5.434,681 6.304,682 7.197,683 8.081,684 8.979,685 9.871,686 10.773,687 11.67,688 12.574,689 12.2,695 2,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 2,731 74,733 23,734 1,735 47,737 80,738 29,739 16,740 2,741 4,746 7,747 9,751 1,752 1,755 4,758 4,761 17,762 12,766 1,771 1,775 1,781 33,782 11,783 2,784 12,790 9,794 0.714,795 3,801 1,803 1,805 1,806 1,811 2,812 5,813 1,815 1,839 2,840 5,844 1,848 41,854 9,855 2,856 2,858 2,859 2,870 4.1,873 1,874 2,877 19.167,878 13.483,879 8.833,880 4.747,881 4.242,882 1.454,883 1.022,884 7.375,885 13.584,886 4.094,887 4.684,888 5.277,889 5.891,890 6.445,891 6.825,892 7.312,893 7.754,894 8.085,895 8.491,896 0.909,897 67,898 15.212,900 6.627,901 7.602,902 29.558,904 25.129,905 2.102,906 86.167,910 364.904,911 132.807,912 111.066,914 47.145,917 132.807,918 412.049,919 111.066,920 8.825,921 60.804,922 56.857,923 139.422,924 39.72,925 8.932,926 341.362,928 364.904,929 243.873,930 47.145,933 284.834,934 107.543,935 22,937 91.216,938 83.31,939 67.02,941 364.904,942 158.211,943 132.807,946 364.904,947 49.029,948 91.803,949 36.022,950 114.164,951 364.904,952 158.211,953 132.807,955 0.584,956 0.345,957 0.194,958 0.105,959 35,960 14,961 0.075,962 6,963 3,964 1.143,965 5.25,966 427.42,967 0.171,968 34,969 205.66,974 26.445,975 11.435,976 5.563,977 1.778,978 156.434,979 14.859,980 18.947,984 4.551,985 1.904,986 36.022,987 655.922,988 59,993 12.662,997 -0.34,999 74.501,1000 84.095,1001 0.259,1002 0.608,1003 0.791,1004 0.862,1005 0.872,1006 0.872,1007 5.359,1008 1.964,1009 6.286,1010 6.901,1011 4.905,1012 5.373,1013 2.368,1014 7.106,1015 4.793,1016 6.544,1017 1.879,1018 7.843,1019 5.638,1020 4.443,1021 5.147,1022 1.404,1023 7.978,1024 4.281,1025 7.846,1026 1.767,1027 9.495,1028 5.444,1029 6.509,1030 7.542,1031 2.66,1032 11.094,1033 6.286,1034 9.181,1035 1.734,1036 11.204,1037 5.161,1038 6.878,1039 8.189,1040 2.382,1041 12.811,1042 6.601,1043 10.55,1044 1.475,1045 12.951,1046 4.449,1047 8.383,1048 10.055,1049 3.324,1050 15.433,1051 8.05,1052 11.943,1053 1.238,1054 14.725,1055 4.197,1056 9.143,1057 11.128,1058 3.421,1059 17.521,1060 8.754,1061 13.356,1062 1.148,1063 16.519,1064 3.585,1065 10.419,1066 12.781,1067 4.179,1068 19.983,1069 9.977,1070 3.264,1071 1,1072 18.328,1073 2.693,1074 11.372,1075 14.075,1076 4.467,1077 22.243,1078 10.873,1079 2.883,1080 11.414,1081 20.15,1082 2.275,1083 12.554,1084 15.64,1085 5.118,1086 24.659,1087 12.004,1088 2.875,1089 9.109,1090 21.984,1091 4.627,1092 13.603,1093 17.049,1094 5.504,1095 27.002,1096 12.996,1097 2.792,1098 9.057,1099 23.826,1100 3.793,1101 14.753,1102 18.581,1103 6.093,1104 29.41,1105 14.094,1106 2.604,1107 8.943,1108 25.677,1109 3.7,1110 15.85,1111 20.048,1112 6.531,1113 31.794,1114 15.136,1115 2.459,1116 7.727,1117 27.535,1118 3.32,1119 16.993,1120 21.57,1121 7.084,1122 34.207,1123 16.227,1124 2.357,1125 7.609,1126 29.399,1127 3.172,1128 18.117,1129 23.067,1130 7.551,1131 36.612,1132 17.297,1133 30975,1134 48119,1135 32.709,1136 48.552,1137 71.149,1138 72.332,1139 71.887,1140 70.89,1141 70.902,1142 88.537,1143 10.446,1144 206.689,1145 66.953,1146 5.675,1147 5.562,1148 6.647,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 12.658,1156 1.514,1157 1.539,1158 1.53,1159 1.508,1160 1.509,1161 1.884,1162 0.222,1163 4.398,1164 1.425,1165 4.134,1166 4.184,1167 4.109,1168 3.978,1169 7.431,1170 4.003,1171 3.943,1172 3.992,1173 3.891,1174 3.805,1175 5.137,1176 3.817,1177 3.9,1178 3.942,1179 3.824,1180 3.777,1181 4.894,1182 3.787,1183 3.869,1184 3.911,1185 3.79,1186 3.714,1187 4.751,1188 3.725,1189 3.686,1190 3.738,1191 3.579,1192 3.479,1193 4.671,1194 3.494,1195 3.488,1196 3.563,1197 3.403,1198 3.282,1199 4.596,1200 3.288,1201 3.388,1202 3.437,1203 3.299,1204 3.134,1205 4.485,1206 3.173,1207 3.205,1208 3.299,1209 3.039,1210 2.982,1211 4.065,1212 2.985,1213 0.099,1214 0.076,1215 0.146,1216 0.09,1217 0.069,1218 4.675,1219 0.098,1220 3.562,1221 0.035,1222 6.845,1223 0.243,1224 4.211,1225 0.066,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.921,1233 2.029,1234 2.086,1235 1.255,1236 2.066,1237 1.859,1238 1.815,1239 1.979,1240 2.04,1241 1.224,1242 2.024,1243 1.791,1244 1.754,1245 1.908,1246 1.949,1247 1.211,1248 1.941,1249 1.629,1250 1.575,1251 1.86,1252 1.877,1253 1.111,1254 1.865,1255 1.618,1256 1.556,1257 1.85,1258 1.848,1259 1.043,1260 1.844,1261 1.604,1262 1.543,1263 1.828,1264 1.76,1265 0.926,1266 1.798,1267 1.509,1268 1.444,1269 1.68,1270 1.717,1271 0.835,1272 1.709,1273 1.255,1274 1.212,1275 1.513,1276 1.545,1277 0.825,1278 1.5,1279 4.554,1281 5.894,1282 3.045,1283 7.426,1284 5.416,1285 9.042,1286 7.506,1287 10.705,1289 2.058,1295 7.567,1296 5.735,1297 11.458,1299 0.497,1300 4.49,1305 46.659,1306 118.869,1307 279.583,1308 363.261,1309 395.99,1310 400.745,1311 400.745,1312 60.521,1313 9.342,1314 122.56,1315 122.56,1316 40,1317 13.095,1318 4.585,1319 3.7,1320 54.679,1321 243,1322 264,1323 0.107,1324 278.131,1325 476.47,1326 670.399,1327 199710,1329 27.761,1330 0.677,1331 0.561,1332 27.761,1333 22.993,1334 20.124,1335 0.428,1336 0.303,1337 13.977,1338 19.115,1339 13.77,1340 11.253,1341 20.124,1342 14.239,1343 18.282,1344 0.273,1345 0.158,1346 18.282,1347 10.592,1348 16.015,1349 0.174,1350 0.085,1351 16.015,1352 7.861,1353 14.026,1354 0.111,1355 0.046,1356 14.026,1357 5.765,1358 11.463,1359 0.07,1360 0.024,1361 11.463,1362 3.938,1363 0.174,1364 127.402,1365 0.175,1366 37.334,1367 0.275,1368 228,1369 651.388,1370 256.589,1371 618.277,1372 866.4,1373 586,1374 273,1375 659.781,1376 303.342,1377 656.819,1378 974.96,1379 622,1380 5.667}
{0 CHEMBL576305,1 1.613,2 19.068,3 2.728,4 7.442,5 163.475,6 7.405,7 0.44,8 4.52,9 4.645,10 4.094,11 3.975,12 5.551,13 3.982,14 5.111,15 5.293,16 4.467,17 4.382,18 6.13,19 4.37,20 5.36,21 5.583,22 4.476,23 4.52,24 6.305,25 4.465,26 5.346,27 5.594,28 4.399,29 4.498,30 6.283,31 4.417,32 5.309,33 5.548,34 4.413,35 4.456,36 6.305,37 4.393,38 5.243,39 5.461,40 4.426,41 4.456,42 6.235,43 4.412,44 5.224,45 5.423,46 4.417,47 4.503,48 6.238,49 4.436,50 5.327,51 5.574,52 4.259,53 4.501,54 6.256,55 4.375,56 0.099,57 1.286,58 17.344,59 6.784,60 11.002,61 9.352,62 0.678,63 2.044,64 35.608,65 11.129,66 46.662,67 15.881,68 0.974,69 2.412,70 48.683,71 14.088,72 65.619,73 20.948,74 0.685,75 2.389,76 47.8,77 14.66,78 62.105,79 22.35,80 0.823,81 2.234,82 46.807,83 14.253,84 79.154,85 21.258,86 0.822,87 2.232,88 42.499,89 12.373,90 62.403,91 18.388,92 0.707,93 2.294,94 39.485,95 13.004,96 55.577,97 19.36,98 0.726,99 2.282,100 46.614,101 16.288,102 73.63,103 23.927,104 6,105 70,106 0.243,107 0.571,108 0.743,109 0.82,110 0.839,111 0.839,112 3.81,113 0.919,114 -4.29,115 -4.23,116 -3.99,119 38.3,120 1,121 2,125 9,127 2,142 6,143 2,144 2,145 2,147 2,149 1,159 1,161 1,166 1,172 6,174 4,175 12,178 2,179 1,180 3,183 4,186 4,187 9,190 1,192 3,195 2,198 5,199 10,204 4,207 2,211 3,212 12,215 2,217 3,220 4,223 1,224 10,227 2,229 1,232 5,236 4,237 11,240 1,245 8,249 3,250 5,253 5,255 1,258 9,263 7,266 1,271 7,275 4462,276 30.59,277 30.59,278 30.59,279 30.59,280 30.59,281 27.954,282 41.574,283 18.089,284 31.607,285 24.717,286 24.717,287 24.717,288 24.717,289 24.717,290 20.563,291 55.373,292 8.64,293 26.351,294 4.727,295 2.554,296 1.411,297 0.901,298 0.775,299 0.775,300 4.534,306 1904,307 3.937,310 233.195,311 764.949,312 150.544,314 213.304,318 3.201,319 41.037,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.61,330 96.5,331 839,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.816,345 2.882,346 3.792,347 0.86,348 9.109,349 2.74,350 4.065,351 3.148,352 6.11,353 3.768,354 2.799,355 3.649,356 0.86,357 8.944,358 2.659,359 3.985,360 2.948,361 5.65,362 3.654,363 2.702,364 3.318,365 0.86,366 7.738,367 2.57,368 3.825,369 2.838,370 5.6,371 3.466,372 2.538,373 3.163,374 0.8,375 7.706,376 2.37,377 3.655,378 2.794,379 5.419,380 3.421,381 2.492,382 2.877,383 0.8,384 7.192,385 2.298,386 3.572,387 2.72,388 5.338,389 3.373,390 2.442,391 2.762,392 0.247,393 6.963,394 2.267,395 3.506,396 2.455,397 5.175,398 3.168,399 2.232,400 2.529,402 6.51,403 2.08,404 3.273,405 2.373,406 5.009,407 2.839,408 1.879,409 2.48,411 5.638,412 1.795,413 2.977,414 2.163,415 4.879,416 2.834,417 1.855,418 2.151,420 5.443,421 1.794,422 2.947,423 2.093,424 4.645,425 2.705,426 1.756,427 2.057,428 5.008,429 1.66,430 2.879,431 1.961,432 4.409,433 2.437,434 1.547,435 1.879,436 4.239,437 1.405,438 2.625,439 1.535,440 4.28,441 2.418,442 1.474,443 1.669,445 3.585,446 1.35,447 2.563,448 1.527,449 3.679,450 2.171,451 1.237,452 1.564,454 3.234,455 1.152,456 2.5,457 1.326,458 3.664,459 2,460 1.073,461 1.5,463 2.354,464 1,465 20.433,466 0.464,467 0.909,468 0.021,469 55,470 1.25,471 23.5,472 0.534,473 31.5,474 0.716,475 42.463,476 0.965,477 48.567,478 0.6,479 46.029,480 1.046,481 10.57,482 0.24,483 11.036,484 0.251,485 0.041,487 0.328,493 0.855,494 1.579,495 0.766,496 1.267,497 0.651,498 1.036,499 1.154,500 1.153,501 0.941,502 0.998,503 0.717,504 0.941,505 1.239,506 1.058,507 1.052,508 0.921,509 0.977,510 0.951,511 0.814,512 1.039,513 0.959,514 1.029,515 0.819,516 1.009,517 0.986,518 1.003,519 0.883,520 0.913,521 1.26,522 0.887,523 1.196,524 0.994,525 1.038,526 0.868,527 1.194,528 0.903,529 0.773,530 1.21,531 1.121,532 1.177,533 0.724,534 1.191,535 0.59,536 0.953,537 1.049,538 1.168,539 0.698,540 1.187,541 8.5,542 0.249,543 3.778,544 2.167,545 1.826,546 1.615,547 0.927,548 0.467,549 0.521,550 0.333,551 44090,552 105595,553 2.205,554 45.7,556 26,558 2,559 2,561 7,564 1.816,565 2.129,566 4.107,567 0.171,573 130.669,574 1.613,575 3.785,576 4.929,577 5.438,578 5.565,579 5.565,580 3.561,581 4.635,582 5.426,583 4.391,584 4153.93,585 9.573,586 83903.7,591 513.528,592 1.143,593 5.418,594 0.17,595 0.007,596 0.054,597 0.031,598 0.029,599 0.025,600 0.014,601 0.007,602 0.01,603 0.008,604 0.354,605 0.17,606 0.63,607 0.451,608 262.452,609 -0.02,610 -0.305,611 0.088,612 -0.151,613 -0.003,614 -0.033,615 -0.017,616 -0.012,617 0.013,618 0.006,619 0.086,620 0.009,621 -0.121,622 -0.023,623 -0.062,624 0.051,625 -0.041,626 0.007,627 -0.012,628 -0.006,629 0.005,630 -0.048,631 0.051,632 -0.02,633 0.011,634 -0.011,635 0.105,636 0.078,637 0.009,638 0.101,639 -0.146,640 0.09,641 -0.066,642 0.107,643 -0.132,644 0.051,645 0.025,646 -0.061,647 -0.207,648 -0.152,649 -0.006,650 -0.206,651 0.103,652 0.055,653 -0.107,654 -0.137,655 0.055,656 -0.158,657 2.033,658 5.687,659 0.795,660 70.711,661 1.007,662 1.137,663 3.058,664 9.351,665 0.649,666 3.932,667 4.263,668 4.554,669 4.852,670 5.1,671 5.242,672 5.438,673 5.602,674 5.765,675 5.927,676 11.047,677 0.623,678 599.77,679 3.932,680 5.485,681 6.344,682 7.226,683 8.1,684 8.99,685 9.873,686 10.768,687 11.658,688 12.558,689 11.1,692 1,695 1,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 1,729 1,731 81,733 23,734 1,735 50,737 87,738 31,739 16,740 2,741 4,746 7,747 9,751 1,752 1,755 4,758 4,761 17,762 14,766 1,771 1,775 1,781 37,782 12,783 2,784 13,790 9,794 0.714,795 4,801 1,803 1,805 1,806 1,811 2,812 5,813 1,815 1,836 1,839 2,840 5,844 1,848 44,854 11,855 2,856 3,858 2,859 2,870 4.9,873 1,874 2,875 1,877 20.667,878 14.65,879 9.556,880 5.172,881 4.266,882 1.451,883 1.005,884 8.798,885 13.731,886 4.143,887 4.712,888 5.283,889 5.884,890 6.432,891 6.8,892 7.285,893 7.733,894 8.076,895 8.487,896 1,897 69,898 16.331,900 7.044,901 7.606,902 31.726,904 26.676,905 2.106,906 92.667,910 411.989,911 141.992,912 111.066,914 58.145,917 141.992,918 470.133,919 111.066,920 8.825,921 67.502,922 56.857,923 139.422,924 50.72,925 11.418,926 388.446,928 411.989,929 253.058,930 58.145,933 331.919,934 118.543,935 22,937 101.038,938 82.672,939 67.02,941 411.989,942 169.211,943 141.992,946 411.989,947 58.214,948 91.803,949 36.022,950 125.164,951 411.989,952 169.211,953 141.992,955 0.579,956 0.337,957 0.187,958 0.101,959 35,960 14,961 0.103,962 9,963 3,964 1.143,965 5.588,966 455.719,967 0.171,968 34,969 226.215,974 29.23,975 13.244,976 6.789,977 1.768,978 167.434,979 14.493,980 18.775,984 4.105,985 1.901,986 36.022,987 723.191,988 62,993 12.687,997 -0.366,999 81.596,1000 92.135,1001 0.254,1002 0.597,1003 0.777,1004 0.858,1005 0.878,1006 0.878,1007 5.4,1008 2.232,1009 6.315,1010 6.963,1011 4.949,1012 5.4,1013 2.498,1014 7.112,1015 4.828,1016 6.574,1017 1.879,1018 7.857,1019 6.51,1020 4.443,1021 5.147,1022 1.404,1023 7.941,1024 4.273,1025 7.866,1026 1.855,1027 9.493,1028 5.638,1029 6.529,1030 7.547,1031 2.734,1032 11.05,1033 6.294,1034 9.192,1035 1.756,1036 11.187,1037 5.443,1038 6.858,1039 8.177,1040 2.382,1041 12.739,1042 6.574,1043 10.552,1044 1.547,1045 12.919,1046 5.008,1047 8.374,1048 10.047,1049 3.353,1050 15.36,1051 8.032,1052 11.937,1053 1.474,1054 14.679,1055 4.239,1056 9.104,1057 11.113,1058 3.421,1059 17.441,1060 8.712,1061 13.343,1062 1.237,1063 16.461,1064 3.585,1065 10.385,1066 12.768,1067 4.188,1068 19.907,1069 9.939,1070 3.264,1071 1.073,1072 18.26,1073 3.234,1074 11.318,1075 14.061,1076 4.467,1077 22.172,1078 10.822,1079 2.882,1080 11.414,1081 20.075,1082 2.354,1083 12.503,1084 15.628,1085 5.121,1086 24.596,1087 11.955,1088 2.799,1089 9.109,1090 21.902,1091 4.627,1092 13.541,1093 17.037,1094 5.504,1095 26.946,1096 12.943,1097 2.702,1098 8.944,1099 23.74,1100 3.792,1101 14.692,1102 18.571,1103 6.093,1104 29.363,1105 14.043,1106 2.538,1107 7.738,1108 25.588,1109 3.649,1110 15.786,1111 20.038,1112 6.531,1113 31.754,1114 15.085,1115 2.492,1116 7.706,1117 27.445,1118 3.318,1119 16.93,1120 21.563,1121 7.084,1122 34.174,1123 16.178,1124 2.442,1125 7.192,1126 29.309,1127 3.163,1128 18.054,1129 23.06,1130 7.551,1131 36.585,1132 17.249,1133 39627,1134 61560,1135 34.789,1136 52.529,1137 74.991,1138 76.14,1139 75.556,1140 74.613,1141 74.603,1142 92.232,1143 12.166,1144 213.527,1145 70.117,1146 5.675,1147 5.562,1148 6.647,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 13.336,1156 1.5,1157 1.523,1158 1.511,1159 1.492,1160 1.492,1161 1.845,1162 0.243,1163 4.271,1164 1.402,1165 4.134,1166 4.184,1167 4.109,1168 3.978,1169 7.431,1170 4.003,1171 3.923,1172 3.965,1173 3.873,1174 3.802,1175 5.138,1176 3.811,1177 3.899,1178 3.942,1179 3.814,1180 3.752,1181 4.969,1182 3.766,1183 3.858,1184 3.898,1185 3.788,1186 3.712,1187 4.752,1188 3.723,1189 3.792,1190 3.85,1191 3.677,1192 3.579,1193 4.671,1194 3.593,1195 3.498,1196 3.567,1197 3.427,1198 3.283,1199 4.625,1200 3.291,1201 3.436,1202 3.489,1203 3.323,1204 3.192,1205 4.486,1206 3.216,1207 3.346,1208 3.402,1209 3.208,1210 3.116,1211 4.373,1212 3.135,1213 0.093,1214 0.071,1215 0.137,1216 0.084,1217 0.065,1218 4.675,1219 0.093,1220 3.562,1221 0.033,1222 6.845,1223 0.228,1224 4.211,1225 0.062,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.921,1233 2.029,1234 2.085,1235 1.255,1236 2.065,1237 1.826,1238 1.79,1239 1.963,1240 2.011,1241 1.254,1242 1.996,1243 1.788,1244 1.751,1245 1.914,1246 1.97,1247 1.224,1248 1.957,1249 1.729,1250 1.667,1251 1.898,1252 1.928,1253 1.111,1254 1.923,1255 1.619,1256 1.557,1257 1.86,1258 1.874,1259 1.043,1260 1.863,1261 1.604,1262 1.543,1263 1.849,1264 1.76,1265 0.966,1266 1.798,1267 1.509,1268 1.444,1269 1.681,1270 1.721,1271 0.899,1272 1.711,1273 1.365,1274 1.31,1275 1.649,1276 1.634,1277 0.835,1278 1.632,1279 4.615,1281 5.943,1282 3.045,1283 7.458,1284 5.416,1285 9.057,1286 7.506,1287 10.705,1289 2.056,1295 9.262,1296 5.693,1297 17.187,1299 0.486,1300 4.621,1305 50.427,1306 130.669,1307 306.617,1308 399.224,1309 440.508,1310 450.773,1311 450.773,1312 68.282,1313 9.465,1314 131.79,1315 131.79,1316 40,1317 13.082,1318 4.585,1319 3.7,1320 60.803,1321 297,1322 330,1323 0.097,1324 301.312,1325 519.86,1326 726.96,1327 244831,1329 29.882,1330 0.679,1331 0.564,1332 29.882,1333 24.815,1334 21.607,1335 0.432,1336 0.306,1337 15.026,1338 20.458,1339 14.809,1340 12.099,1341 21.607,1342 15.324,1343 19.424,1344 0.277,1345 0.161,1346 19.424,1347 11.275,1348 16.723,1349 0.178,1350 0.088,1351 16.723,1352 8.275,1353 14.452,1354 0.114,1355 0.047,1356 14.452,1357 5.97,1358 11.735,1359 0.072,1360 0.025,1361 11.735,1362 4.036,1363 0.161,1364 137.246,1365 0.17,1366 39.942,1367 0.246,1368 240,1369 707.124,1370 271.854,1371 664.19,1372 923.88,1373 630,1374 284,1375 694.531,1376 317.22,1377 689.194,1378 1020.88,1379 652,1380 6.428}
{0 CHEMBL576505,1 1.533,2 17.476,3 3.649,4 13.315,5 162.24,6 7.187,7 0.458,8 4.485,9 4.62,10 4.04,11 3.971,12 5.491,13 3.961,14 5.075,15 5.271,16 4.431,17 4.396,18 6.05,19 4.368,20 5.345,21 5.573,22 4.458,23 4.561,24 6.258,25 4.489,26 5.379,27 5.637,28 4.387,29 4.556,30 6.286,31 4.452,32 5.319,33 5.57,34 4.38,35 4.504,36 6.26,37 4.416,38 5.242,39 5.473,40 4.376,41 4.473,42 6.196,43 4.407,44 5.212,45 5.427,46 4.339,47 4.479,48 6.169,49 4.394,50 5.284,51 5.54,52 4.178,53 4.453,54 6.185,55 4.316,56 0.049,57 1.28,58 17.453,59 6.611,60 11.278,61 9.476,62 0.468,63 2.082,64 34.665,65 10.931,66 37.163,67 16.279,68 0.621,69 2.51,70 47.438,71 14.51,72 53.306,73 21.874,74 0.528,75 2.524,76 49.606,77 15.993,78 60.723,79 24.42,80 0.474,81 2.339,82 46.878,83 15.228,84 65.069,85 23.001,86 0.509,87 2.285,88 42.61,89 12.919,90 55.827,91 19.601,92 0.548,93 2.251,94 40.324,95 13.307,96 46.198,97 19.933,98 0.548,99 2.194,100 45.149,101 15.977,102 64.412,103 23.536,104 11,105 69,106 0.232,107 0.55,108 0.705,109 0.788,110 0.81,111 0.814,112 3.765,113 0.93,114 -4.9,115 -4.81,116 -4.51,119 39.2,120 1,121 2,124 1,125 7,127 2,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 12,178 2,179 1,180 4,183 6,186 3,187 9,192 4,195 4,198 5,199 11,204 5,207 2,211 1,212 14,215 1,217 4,220 4,224 11,227 2,229 1,232 7,236 4,237 9,240 1,245 12,249 2,250 2,253 5,255 1,258 12,263 5,266 1,271 8,275 3828,276 28.969,277 28.969,278 28.969,279 28.969,280 28.969,281 26.357,282 41.184,283 16.782,284 29.737,285 23.688,286 23.688,287 23.688,288 23.688,289 23.688,290 19.565,291 58.474,292 7.983,293 24.945,294 4.77,295 2.673,296 1.65,297 1.102,298 0.956,299 0.931,300 4.489,306 1672,307 3.606,310 216.324,311 702.674,312 139.73,314 197.336,318 2.812,319 32.105,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 90.5,331 734,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.178,342 3.399,343 6.152,344 3.84,345 2.892,346 3.793,347 0.86,348 9.109,349 2.752,350 4.147,351 3.148,352 6.148,353 3.815,354 2.881,355 3.7,356 0.8,357 9.075,358 2.728,359 3.986,360 3.136,361 6.11,362 3.763,363 2.793,364 3.32,365 0.8,366 8.943,367 2.658,368 3.87,369 2.796,370 5.65,371 3.57,372 2.614,373 3.173,374 0.8,375 7.727,376 2.489,377 3.703,378 2.72,379 5.562,380 3.395,381 2.463,382 2.99,383 0.247,384 7.611,385 2.306,386 3.634,387 2.661,388 5.319,389 3.345,390 2.394,391 2.763,393 6.91,394 2.26,395 3.407,396 2.471,397 5.039,398 3.182,399 2.247,400 2.574,402 6.081,403 2.098,404 3.269,405 2.386,406 5.009,407 2.887,408 1.901,409 2.359,411 5.638,412 1.86,413 2.977,414 2.093,415 4.879,416 2.839,417 1.879,418 2.153,420 5.444,421 1.794,422 2.948,423 1.961,424 4.68,425 2.706,426 1.758,427 2.057,428 5.106,429 1.66,430 2.879,431 1.631,432 4.42,433 2.441,434 1.491,435 1.879,436 4.275,437 1.412,438 2.628,439 1.535,440 4.284,441 2.348,442 1.391,443 1.67,445 3.906,446 1.325,447 2.609,448 1.326,449 4.264,450 2.17,451 1.237,452 1.62,454 3.584,455 1.152,456 2.5,457 1.146,458 3.664,459 2,460 1,461 1.5,463 2.275,464 1,465 19.767,466 0.471,467 0.998,468 0.024,469 53.25,470 1.268,471 23.5,472 0.56,473 29.75,474 0.708,475 40.773,476 0.971,477 45.633,478 0.578,479 44.042,480 1.049,481 10.106,482 0.241,483 10.411,484 0.248,485 0.067,487 0.359,493 0.843,494 1.551,495 0.797,496 1.206,497 0.633,498 1.023,499 1.065,500 1.129,501 0.908,502 0.955,503 0.594,504 0.908,505 1.279,506 1.102,507 1.066,508 0.976,509 0.941,510 0.99,511 0.8,512 1.006,513 0.961,514 1.018,515 0.787,516 1.004,517 0.93,518 1.04,519 0.865,520 0.953,521 1.255,522 0.908,523 1.237,524 1.012,525 1.047,526 0.93,527 1.288,528 0.946,529 0.928,530 1.143,531 1.144,532 1.159,533 0.792,534 1.171,535 0.665,536 0.933,537 1.037,538 1.143,539 0.807,540 1.145,541 9,542 0.274,543 4.444,544 2.354,545 1.937,546 1.74,547 0.966,548 0.53,549 0.517,550 0.346,551 37144,552 80701,553 2.2,554 46.8,556 27,558 1,559 2,561 7,564 1.806,565 2.1,566 3.996,567 0.149,573 121.139,574 1.533,575 3.631,576 4.654,577 5.202,578 5.348,579 5.373,580 3.463,581 4.851,582 5.362,583 4.256,584 3664.2,585 9.449,586 69278.6,591 497.999,592 1.264,593 5.342,594 0.188,595 0.007,596 0.064,597 0.034,598 0.031,599 0.027,600 0.015,601 0.009,602 0.011,603 0.008,604 0.394,605 0.17,606 0.63,607 0.529,608 245.059,609 0.015,610 -0.286,611 0.09,612 -0.115,613 -0.005,614 -0.02,615 0.05,616 0.03,617 0.054,618 0.037,619 0.133,620 0.045,621 -0.139,622 -0.044,623 -0.08,624 0.004,625 -0.035,626 -0.028,627 0.026,628 0.009,629 0.01,630 -0.032,631 0.074,632 -0.014,633 0.015,634 -0.054,635 0.115,636 0.049,637 0.007,638 0.09,639 -0.165,640 0.065,641 -0.066,642 0.043,643 -0.128,644 0.013,645 0.018,646 -0.039,647 -0.193,648 -0.151,649 -0.049,650 -0.192,651 0.132,652 0.043,653 -0.075,654 -0.122,655 0.069,656 -0.127,657 1.955,658 5.736,659 0.833,660 59.014,661 0.999,662 1.136,663 3.674,664 13.498,665 0.653,666 3.892,667 4.248,668 4.554,669 4.86,670 5.124,671 5.283,672 5.472,673 5.631,674 5.79,675 5.943,676 10.09,677 0.62,678 567.77,679 3.892,680 5.46,681 6.33,682 7.223,683 8.107,684 9.006,685 9.897,686 10.799,687 11.695,688 12.6,689 11.4,692 1,695 2,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 2,731 79,733 23,734 2,735 48,737 85,738 31,739 17,740 4,741 8,746 7,747 9,751 1,752 1,755 4,758 4,761 18,762 13,766 1,771 1,775 1,781 37,782 10,783 2,784 11,790 9,794 0.714,795 2,801 1,803 1,806 1,811 2,812 5,813 1,815 1,836 1,839 1,840 5,844 2,848 42,854 9,855 2,856 1,858 2,859 3,870 2.5,873 1,874 1,877 20,878 14.65,879 9,880 5.058,881 4.26,882 1.452,883 1.022,884 7.652,885 13.685,886 4.111,887 4.703,888 5.288,889 5.896,890 6.452,891 6.833,892 7.318,893 7.76,894 8.096,895 8.5,896 1,897 69,898 15.596,900 6.768,901 7.54,902 30.568,904 26.103,905 2.04,906 85.667,910 411.989,911 146.564,912 97.405,914 36.145,917 146.564,918 448.133,919 97.405,920 17.222,921 55.83,922 75.81,923 99.865,924 36.554,925 6.604,926 400.217,928 411.989,929 243.969,930 36.145,933 331.919,934 107.543,935 11,937 80.319,938 111.088,939 50.234,941 411.989,942 133.55,943 146.564,946 411.989,947 44.485,948 113.228,949 36.022,950 86.379,951 411.989,952 133.55,953 146.564,955 0.588,956 0.345,957 0.19,958 0.105,959 36,960 15,961 0.071,962 6,963 3,964 1.143,965 5.31,966 440.167,967 0.171,968 34,969 208.477,974 27.444,975 11.71,976 5.813,977 1.796,978 131.773,979 17.545,980 14.501,984 5.049,985 1.914,986 36.022,987 692.102,988 60,993 12.736,997 -0.288,999 78.941,1000 89.716,1001 0.243,1002 0.576,1003 0.738,1004 0.825,1005 0.848,1006 0.852,1007 5.382,1008 2.247,1009 6.319,1010 6.91,1011 4.934,1012 5.391,1013 2.318,1014 7.14,1015 4.833,1016 6.571,1017 1.901,1018 7.879,1019 6.081,1020 4.511,1021 5.182,1022 1.494,1023 8.015,1024 4.346,1025 7.874,1026 1.879,1027 9.532,1028 5.638,1029 6.544,1030 7.555,1031 2.615,1032 11.118,1033 6.336,1034 9.208,1035 1.758,1036 11.24,1037 5.444,1038 6.929,1039 8.203,1040 2.41,1041 12.827,1042 6.655,1043 10.576,1044 1.491,1045 12.984,1046 5.106,1047 8.416,1048 10.061,1049 3.305,1050 15.446,1051 8.102,1052 11.966,1053 1.391,1054 14.754,1055 4.275,1056 9.18,1057 11.134,1058 3.427,1059 17.528,1060 8.803,1061 13.376,1062 1.237,1063 16.544,1064 3.906,1065 10.447,1066 12.784,1067 4.173,1068 19.989,1069 10.027,1070 3.264,1071 1,1072 18.349,1073 3.584,1074 11.399,1075 14.077,1076 4.469,1077 22.247,1078 10.918,1079 2.892,1080 11.414,1081 20.168,1082 2.275,1083 12.577,1084 15.641,1085 5.116,1086 24.662,1087 12.051,1088 2.881,1089 9.109,1090 21.999,1091 4.627,1092 13.624,1093 17.049,1094 5.505,1095 27.004,1096 13.039,1097 2.793,1098 9.075,1099 23.839,1100 3.793,1101 14.771,1102 18.582,1103 6.092,1104 29.412,1105 14.137,1106 2.614,1107 8.943,1108 25.687,1109 3.7,1110 15.867,1111 20.048,1112 6.531,1113 31.795,1114 15.177,1115 2.463,1116 7.727,1117 27.543,1118 3.32,1119 17.008,1120 21.571,1121 7.084,1122 34.208,1123 16.266,1124 2.394,1125 7.611,1126 29.406,1127 3.173,1128 18.13,1129 23.067,1130 7.551,1131 36.613,1132 17.334,1133 33307,1134 49369,1135 33.115,1136 51.62,1137 72.977,1138 73.659,1139 74.078,1140 72.546,1141 72.504,1142 90.136,1143 10.326,1144 212.927,1145 68.937,1146 5.675,1147 5.562,1148 6.387,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 16.222,1156 1.52,1157 1.535,1158 1.543,1159 1.511,1160 1.511,1161 1.878,1162 0.215,1163 4.436,1164 1.436,1165 4.135,1166 4.185,1167 4.11,1168 3.98,1169 7.431,1170 4.005,1171 3.97,1172 4.018,1173 3.909,1174 3.858,1175 5.137,1176 3.864,1177 3.901,1178 3.942,1179 3.828,1180 3.798,1181 4.776,1182 3.801,1183 3.873,1184 3.916,1185 3.79,1186 3.715,1187 4.738,1188 3.726,1189 3.743,1190 3.809,1191 3.632,1192 3.559,1193 4.67,1194 3.566,1195 3.493,1196 3.566,1197 3.415,1198 3.283,1199 4.484,1200 3.291,1201 3.405,1202 3.461,1203 3.309,1204 3.153,1205 4.355,1206 3.192,1207 3.206,1208 3.3,1209 3.06,1210 2.985,1211 4.049,1212 2.992,1213 0.097,1214 0.074,1215 0.143,1216 0.088,1217 0.068,1218 4.675,1219 0.096,1220 3.562,1221 0.035,1222 6.845,1223 0.238,1224 4.211,1225 0.064,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.953,1232 1.922,1233 2.049,1234 2.087,1235 1.304,1236 2.072,1237 1.919,1238 1.883,1239 2.026,1240 2.064,1241 1.255,1242 2.057,1243 1.793,1244 1.755,1245 1.914,1246 1.955,1247 1.224,1248 1.946,1249 1.708,1250 1.638,1251 1.903,1252 1.898,1253 1.111,1254 1.904,1255 1.619,1256 1.557,1257 1.86,1258 1.873,1259 1.051,1260 1.863,1261 1.604,1262 1.543,1263 1.85,1264 1.76,1265 1.041,1266 1.798,1267 1.509,1268 1.444,1269 1.681,1270 1.72,1271 0.835,1272 1.71,1273 1.282,1274 1.233,1275 1.542,1276 1.572,1277 0.825,1278 1.541,1279 4.575,1281 5.922,1282 3.045,1283 7.455,1284 5.416,1285 9.072,1286 7.506,1287 10.735,1289 4.216,1295 8.715,1296 5.865,1297 6.069,1299 0.509,1300 7.04,1305 48.997,1306 121.139,1307 286.852,1308 367.676,1309 410.979,1310 422.489,1311 424.489,1312 61.924,1313 9.425,1314 103.68,1315 103.68,1316 40,1317 13.12,1318 4.585,1319 3.7,1320 56.679,1321 258,1322 290,1323 0.104,1324 293.319,1325 502.28,1326 707.458,1327 221965,1329 28.631,1330 0.682,1331 0.575,1332 28.631,1333 24.162,1334 20.518,1335 0.427,1336 0.31,1337 14.639,1338 19.605,1339 14.339,1340 11.781,1341 20.518,1342 14.881,1343 18.903,1344 0.274,1345 0.166,1346 18.903,1347 11.425,1348 16.426,1349 0.175,1350 0.091,1351 16.426,1352 8.513,1353 14.178,1354 0.111,1355 0.048,1356 14.178,1357 6.146,1358 11.687,1359 0.07,1360 0.026,1361 11.687,1362 4.333,1363 0.171,1364 129.008,1365 0.174,1366 38.115,1367 0.269,1368 234,1369 613.653,1370 259.682,1371 591.688,1372 834.44,1373 560,1374 280,1375 642.44,1376 307.768,1377 644.188,1378 953.75,1379 609,1380 7.292}
{0 CHEMBL576506,1 1.741,2 17.045,3 3.772,4 14.226,5 157.647,6 7.996,7 0.44,8 4.47,9 4.597,10 4.094,11 3.938,12 5.558,13 3.957,14 5.07,15 5.246,16 4.542,17 4.363,18 6.45,19 4.367,20 5.338,21 5.565,22 4.496,23 4.51,24 6.38,25 4.463,26 5.316,27 5.558,28 4.479,29 4.494,30 6.403,31 4.432,32 5.273,33 5.497,34 4.53,35 4.463,36 6.465,37 4.428,38 5.25,39 5.474,40 4.464,41 4.44,42 6.347,43 4.411,44 5.208,45 5.415,46 4.49,47 4.428,48 6.391,49 4.387,50 5.259,51 5.495,52 4.401,53 4.393,54 6.401,55 4.335,56 0.213,57 1.437,58 14.209,59 6.389,60 26.18,61 8.092,62 1.213,63 2.618,64 31.36,65 10.812,66 162.38,67 14.224,68 1.333,69 2.587,70 46.247,71 13.922,72 105.915,73 19.575,74 1.022,75 2.56,76 44.734,77 14.524,78 91.089,79 21.2,80 0.967,81 2.612,82 42.459,83 14.424,84 102.064,85 20.104,86 0.98,87 2.518,88 41.172,89 12.768,90 92.918,91 17.435,92 1.12,93 2.538,94 37.635,95 12.725,96 76.274,97 17.841,98 0.906,99 2.579,100 42.721,101 15.159,102 93.686,103 20.195,104 19,105 73,106 0.266,107 0.586,108 0.701,109 0.788,110 0.811,111 0.815,112 3.81,113 0.883,114 -5,115 -4.9,116 -4.59,119 39.5,121 2,125 7,127 2,132 1,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 11,178 2,179 1,180 4,183 6,186 2,187 8,190 1,192 4,195 4,198 5,199 10,204 5,207 1,211 1,212 12,215 1,217 6,220 4,224 7,227 2,229 3,232 6,236 4,237 9,240 1,245 10,249 2,250 2,253 4,254 1,255 1,258 10,263 4,266 1,271 6,275 4538,276 29.753,277 29.753,278 29.753,279 29.753,280 29.753,281 27.141,282 41.588,283 17.304,284 30.707,285 24.799,286 24.799,287 24.799,288 24.799,289 24.799,290 20.714,291 60.031,292 8.371,293 26.502,294 4.506,295 2.406,296 1.652,297 1.082,298 0.931,299 0.905,300 4.53,306 1693,307 4.301,310 224.912,311 738.403,312 145.617,314 205.433,318 2.725,319 60.708,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 99,331 750,332 4.682,333 4.269,334 6.86,335 4.228,336 3.294,337 4.629,338 3.02,339 11.474,340 3.099,341 4.2,342 3.562,343 6.462,344 3.936,345 3.1,346 3.794,347 1.656,348 10.198,349 2.75,350 4.152,351 3.396,352 6.143,353 3.829,354 2.878,355 3.7,356 0.86,357 9.057,358 2.724,359 4.114,360 3.14,361 6.12,362 3.805,363 2.866,364 3.363,365 0.8,366 9.031,367 2.679,368 3.932,369 3.108,370 6.086,371 3.721,372 2.772,373 3.181,374 0.8,375 8.878,376 2.497,377 3.864,378 2.791,379 5.638,380 3.555,381 2.599,382 3.032,383 0.4,384 7.686,385 2.451,386 3.684,387 2.702,388 5.561,389 3.344,390 2.423,391 2.985,392 0.247,393 7.608,394 2.265,395 3.61,396 2.517,397 5.317,398 3.31,399 2.356,400 2.744,402 6.901,403 2.174,404 3.351,405 2.395,406 4.984,407 2.947,408 1.964,409 2.559,411 5.638,412 1.92,413 2.975,414 2.093,415 4.879,416 2.839,417 1.879,418 2.159,420 5.396,421 1.794,422 2.929,423 2.013,424 4.696,425 2.707,426 1.745,427 1.995,428 5.161,429 1.672,430 2.912,431 1.917,432 4.447,433 2.628,434 1.688,435 1.991,436 4.449,437 1.574,438 2.879,439 1.535,440 4.375,441 2.43,442 1.475,443 1.879,445 4.197,446 1.403,447 2.619,448 1.45,449 4.272,450 2.138,451 1.205,452 1.663,454 3.57,455 1.12,456 2.5,457 1.292,458 3.665,459 2.077,460 1.147,461 1.5,463 2.693,464 1.063,465 20.124,466 0.457,467 1.246,468 0.028,469 54.75,470 1.244,471 23.5,472 0.534,473 31.25,474 0.71,475 42.743,476 0.971,477 48.876,478 0.643,479 49.787,480 1.132,481 10.657,482 0.242,483 10.613,484 0.241,485 0.059,486 0.025,487 0.333,490 3,493 0.67,494 1.241,495 0.685,496 1.161,497 0.557,498 0.972,499 0.638,500 0.923,501 0.817,502 1.011,503 0.379,504 0.968,505 0.91,506 0.818,507 1.034,508 0.904,509 0.736,510 0.982,511 0.538,512 0.782,513 0.841,514 0.988,515 0.463,516 0.994,517 0.691,518 0.981,519 0.763,520 1.038,521 0.745,522 0.953,523 0.967,524 0.943,525 0.998,526 0.934,527 0.871,528 0.949,529 0.618,530 0.911,531 0.941,532 1.118,533 0.608,534 1.126,535 0.765,536 1.042,537 0.884,538 1.145,539 0.785,540 1.075,541 10.5,542 0.408,543 4.222,544 2.667,545 2.056,546 1.98,547 1.069,548 0.847,549 0.62,550 0.503,551 40258,552 111779,553 2.17,554 42.1,556 24,558 1,559 3,561 4,564 1.82,565 2.054,566 3.935,567 0.786,573 132.352,574 1.741,575 3.842,576 4.596,577 5.165,578 5.317,579 5.343,580 3.342,581 4.789,582 5.427,583 4.239,584 4010.27,585 9.598,586 77522,591 474.842,592 1.428,593 5.398,594 0.21,595 0.008,596 0.058,597 0.038,598 0.03,599 0.027,600 0.016,601 0.013,602 0.01,603 0.009,604 0.42,605 0.17,606 0.63,607 0.687,608 258.878,609 -0.046,610 -0.182,611 0.055,612 -0.084,613 -0.058,614 -0.004,615 0.246,616 0.129,617 0.052,618 -0.012,619 0.364,620 -0.031,621 -0.072,622 0.067,623 -0.097,624 0.059,625 -0.058,626 -0.011,627 0.09,628 0.039,629 0.076,630 -0.016,631 0.091,632 0.016,633 0.084,634 -0.095,635 0.167,636 -0.027,637 0.068,638 0.064,639 -0.146,640 -0.023,641 -0.072,642 0.028,643 -0.096,644 0.016,645 0.171,646 0.049,647 -0.044,648 -0.125,649 0.063,650 -0.152,651 0.063,652 -0.114,653 0.075,654 -0.129,655 0.052,656 -0.048,657 5.705,658 5.687,659 0.795,660 65.103,661 1.021,662 1.149,663 3.768,664 14.199,665 0.654,666 3.932,667 4.304,668 4.564,669 4.89,670 5.153,671 5.313,672 5.541,673 5.71,674 5.872,675 6.05,676 10.046,677 0.64,678 607.71,679 3.932,680 5.509,681 6.368,682 7.27,683 8.146,684 9.051,685 9.937,686 10.845,687 11.739,688 12.649,689 11.8,691 1,695 2,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 2,731 76,733 23,734 2,735 50,737 82,738 30,739 17,740 4,741 8,746 7,747 9,751 1,752 1,755 4,757 1,758 4,761 18,762 12,766 1,771 1,775 1,779 3,781 32,782 13,783 3,784 14,790 9,794 0.714,795 2,801 1,803 1,806 1,811 2,812 5,813 1,815 1,835 1,839 1,840 5,846 3,848 44,854 9,855 3,856 1,858 2,859 2,860 1,869 3,870 2.6,873 1,874 1,877 21.417,878 13.379,879 9.208,880 4.64,881 4.232,882 1.447,883 1.031,884 7.996,885 13.691,886 4.143,887 4.738,888 5.293,889 5.915,890 6.477,891 6.868,892 7.374,893 7.819,894 8.168,895 8.584,896 0.909,897 70,898 16.843,900 7.892,901 7.941,902 31.034,904 26.583,905 2.441,906 107.417,910 341.362,911 137.102,912 112.292,914 36.145,915 44.88,917 137.102,918 377.507,919 157.172,921 55.83,922 93.821,923 99.865,924 78.31,925 6.604,926 329.591,927 7.76,928 341.362,929 249.393,930 81.025,933 296.605,934 117.11,935 11,937 94.14,938 102.691,939 50.234,941 386.242,942 148.436,943 137.102,946 349.121,947 44.485,948 92.883,949 54.032,950 131.259,951 341.362,952 193.317,953 137.102,955 0.593,956 0.327,957 0.183,958 0.103,959 38,960 16,961 0.073,962 6,963 3,964 1.143,965 5.393,966 471.541,967 0.171,968 34,969 217.46,974 29.145,975 12.072,976 6.607,977 0.584,978 191.54,979 15.999,980 13.329,984 3.729,985 0.871,986 54.032,987 671.78,988 62,993 12.687,997 -0.398,999 77.596,1000 87.32,1001 0.279,1002 0.615,1003 0.736,1004 0.827,1005 0.851,1006 0.855,1007 5.427,1008 2.356,1009 6.382,1010 7.608,1011 4.99,1012 5.427,1013 3.144,1014 7.217,1015 4.863,1016 6.631,1017 1.964,1018 7.952,1019 6.901,1020 4.691,1021 5.278,1022 3.208,1023 8.223,1024 4.427,1025 7.945,1026 1.879,1027 9.62,1028 5.638,1029 6.642,1030 7.592,1031 4.671,1032 11.261,1033 6.373,1034 9.289,1035 1.745,1036 11.345,1037 5.396,1038 7.124,1039 8.261,1040 5.507,1041 13.055,1042 6.714,1043 10.665,1044 1.688,1045 13.107,1046 5.161,1047 8.572,1048 10.094,1049 6.696,1050 15.645,1051 8.145,1052 12.061,1053 1.475,1054 14.894,1055 4.449,1056 9.403,1057 11.17,1058 7.735,1059 17.769,1060 8.854,1061 13.476,1062 1.205,1063 16.699,1064 4.197,1065 10.657,1066 12.808,1067 8.859,1068 20.217,1069 10.071,1070 3.294,1071 1.147,1072 18.518,1073 3.57,1074 11.652,1075 14.1,1076 9.948,1077 22.489,1078 10.965,1079 3.1,1080 11.474,1081 20.349,1082 2.693,1083 12.831,1084 15.658,1085 11.057,1086 24.896,1087 12.093,1088 2.878,1089 10.198,1090 22.189,1091 4.629,1092 13.905,1093 17.064,1094 12.158,1095 27.239,1096 13.082,1097 2.866,1098 9.057,1099 24.037,1100 3.794,1101 15.058,1102 18.594,1103 13.264,1104 29.64,1105 14.178,1106 2.772,1107 9.031,1108 25.892,1109 3.7,1110 16.172,1111 20.059,1112 14.368,1113 32.019,1114 15.217,1115 2.599,1116 8.878,1117 27.753,1118 3.363,1119 17.32,1120 21.58,1121 15.474,1122 34.425,1123 16.306,1124 2.423,1125 7.686,1126 29.619,1127 3.181,1128 18.455,1129 23.076,1130 16.579,1131 36.825,1132 17.372,1133 36378,1134 61095,1135 34.096,1136 49.671,1137 76.798,1138 77.216,1139 76.427,1140 76.334,1141 76.086,1142 93.711,1143 15.566,1144 225.723,1145 71.357,1146 5.682,1147 6.269,1148 6.662,1149 5.335,1150 5.294,1151 7.629,1152 4.53,1153 18.955,1154 5.099,1155 18.882,1156 1.536,1157 1.544,1158 1.529,1159 1.527,1160 1.522,1161 1.874,1162 0.311,1163 4.514,1164 1.427,1165 4.137,1166 4.187,1167 4.114,1168 3.98,1169 8.513,1170 4.005,1171 3.966,1172 4.012,1173 3.906,1174 3.856,1175 7.999,1176 3.862,1177 3.901,1178 3.942,1179 3.828,1180 3.798,1181 7.999,1182 3.802,1183 3.875,1184 3.917,1185 3.795,1186 3.715,1187 7.431,1188 3.727,1189 3.715,1190 3.784,1191 3.598,1192 3.524,1193 5.133,1194 3.531,1195 3.556,1196 3.611,1197 3.541,1198 3.277,1199 4.776,1200 3.324,1201 3.415,1202 3.46,1203 3.368,1204 3.146,1205 4.737,1206 3.195,1207 3.245,1208 3.327,1209 3.187,1210 2.98,1211 4.67,1212 3.006,1213 0.094,1214 0.085,1215 0.137,1216 0.085,1217 0.066,1218 4.682,1219 0.093,1220 4.269,1221 0.06,1222 6.86,1223 0.229,1224 4.228,1225 0.062,1226 3.294,1227 4.629,1228 3.02,1229 11.474,1230 3.099,1231 1.952,1232 1.922,1233 2.044,1234 2.087,1235 1.275,1236 2.069,1237 1.917,1238 1.881,1239 2.024,1240 2.059,1241 1.255,1242 2.053,1243 1.791,1244 1.754,1245 1.903,1246 1.952,1247 1.223,1248 1.942,1249 1.679,1250 1.607,1251 1.887,1252 1.885,1253 1.109,1254 1.887,1255 1.604,1256 1.55,1257 1.86,1258 1.873,1259 1.037,1260 1.836,1261 1.604,1262 1.543,1263 1.748,1264 1.76,1265 0.972,1266 1.798,1267 1.48,1268 1.421,1269 1.624,1270 1.721,1271 0.825,1272 1.694,1273 1.27,1274 1.225,1275 1.513,1276 1.558,1277 0.782,1278 1.515,1279 4.615,1281 5.974,1282 3.045,1283 7.508,1284 5.416,1285 9.122,1286 7.506,1287 10.781,1291 40.028,1295 5.604,1296 8.992,1297 5.961,1299 0.128,1300 4.358,1301 -4.455,1305 48.62,1306 132.352,1307 291.958,1308 349.275,1309 392.578,1310 404.088,1311 406.088,1312 84.614,1313 9.459,1314 112.47,1315 112.47,1316 40,1317 13.167,1318 4.585,1319 3.7,1320 60.511,1321 264,1322 306,1323 0.108,1324 287.321,1325 503.19,1326 692.824,1327 224133,1328 3.9,1329 30.261,1330 0.688,1331 0.542,1332 27.761,1333 23.848,1334 21.27,1335 0.425,1336 0.294,1337 14.416,1338 20.102,1339 14.284,1340 11.614,1341 20.124,1342 14.722,1343 20.638,1344 0.283,1345 0.155,1346 18.282,1347 11.328,1348 16.365,1349 0.172,1350 0.086,1351 16.015,1352 8.157,1353 14.56,1354 0.11,1355 0.046,1356 14.026,1357 6.059,1358 12.029,1359 0.07,1360 0.024,1361 11.463,1362 4.199,1363 0.175,1364 135.576,1365 0.171,1366 39.357,1367 0.281,1368 246,1369 878.674,1370 288.339,1371 760.583,1372 1024.42,1373 712,1374 291,1375 750.806,1376 327.456,1377 729.957,1378 1094.98,1379 690,1380 7.119}
{0 CHEMBL576507,1 1.536,2 17.488,3 3.477,4 12.089,5 159.974,6 7.125,7 0.478,8 4.462,9 4.601,10 4.001,11 3.937,12 5.49,13 3.925,14 5.034,15 5.233,16 4.375,17 4.345,18 6.028,19 4.313,20 5.285,21 5.513,22 4.393,23 4.489,24 6.228,25 4.417,26 5.33,27 5.598,28 4.338,29 4.471,30 6.249,31 4.375,32 5.237,33 5.479,34 4.348,35 4.433,36 6.219,37 4.36,38 5.212,39 5.441,40 4.37,41 4.455,42 6.184,43 4.394,44 5.216,45 5.424,46 4.341,47 4.499,48 6.192,49 4.409,50 5.314,51 5.576,52 4.146,53 4.468,54 6.201,55 4.317,56 0.058,57 1.248,58 17.382,59 6.42,60 12.446,61 9.334,62 0.462,63 1.975,64 33.688,65 10.536,66 38.209,67 15.849,68 0.577,69 2.342,70 44.901,71 13.549,72 55.242,73 20.689,74 0.553,75 2.353,76 47.957,77 14.457,78 62.927,79 22.708,80 0.468,81 2.185,82 43.032,83 13.322,84 63.591,85 20.436,86 0.511,87 2.225,88 41.453,89 12.369,90 55.475,91 18.957,92 0.52,93 2.263,94 40.379,95 13.737,96 49.36,97 20.522,98 0.571,99 2.209,100 46.837,101 16.637,102 70.503,103 24.622,104 24,105 65,106 0.234,107 0.567,108 0.724,109 0.793,110 0.816,111 0.82,112 3.741,113 0.93,114 -4.71,115 -4.63,116 -4.35,119 38.5,120 1,121 2,124 2,125 5,127 2,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 10,178 2,179 1,180 6,183 6,186 2,187 7,190 1,192 6,195 4,198 5,199 11,204 5,207 2,211 1,212 14,216 1,217 4,220 4,224 11,227 2,229 1,232 7,236 3,237 9,240 1,241 1,245 12,249 2,250 2,253 5,255 1,258 12,263 3,266 1,268 2,271 8,275 3760,276 28.021,277 28.021,278 28.021,279 28.021,280 28.021,281 25.385,282 39.874,283 16.437,284 28.744,285 22.717,286 22.717,287 22.717,288 22.717,289 22.717,290 18.563,291 56.707,292 7.841,293 23.891,294 4.75,295 2.561,296 1.526,297 1.074,298 0.926,299 0.901,300 4.456,306 1598,307 4.243,310 212.395,311 535.037,312 137.048,314 194.159,318 2.891,319 31.857,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.61,330 88.5,331 717,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.817,345 2.882,346 3.792,347 0.86,348 9.109,349 2.741,350 4.064,351 3.148,352 6.11,353 3.768,354 2.799,355 3.649,356 0.8,357 8.944,358 2.659,359 3.985,360 2.798,361 5.65,362 3.673,363 2.701,364 3.318,365 0.8,366 7.738,367 2.62,368 3.825,369 2.75,370 5.599,371 3.471,372 2.512,373 3.163,374 0.4,375 7.706,376 2.407,377 3.654,378 2.72,379 5.417,380 3.378,381 2.445,382 2.876,383 0.247,384 7.186,385 2.271,386 3.563,387 2.571,388 5.181,389 3.222,390 2.275,391 2.762,393 6.524,394 2.158,395 3.29,396 2.42,397 5.009,398 3.099,399 2.168,400 2.497,402 5.638,403 2.007,404 3.195,405 2.297,406 4.879,407 2.839,408 1.879,409 2.212,411 5.443,412 1.812,413 2.977,414 2.093,415 4.662,416 2.835,417 1.848,418 2.15,420 5.166,421 1.794,422 2.947,423 1.961,424 4.631,425 2.705,426 1.755,427 2.057,428 4.994,429 1.66,430 2.879,431 1.535,432 4.409,433 2.431,434 1.475,435 1.879,436 4.238,437 1.404,438 2.625,439 1.326,440 4.28,441 2.171,442 1.238,443 1.668,445 3.585,446 1.152,447 2.5,448 1.322,449 3.665,450 2.031,451 1.086,452 1.5,454 2.306,455 1.023,456 2.5,457 1,458 3.414,459 2,460 1,461 1.5,463 2.275,464 1,465 19.267,466 0.47,467 0.985,468 0.024,469 52,470 1.268,471 23.5,472 0.573,473 28.5,474 0.695,475 38.862,476 0.948,477 44.933,478 0.576,479 43.531,480 1.062,481 10.032,482 0.245,483 9.913,484 0.242,485 0.095,487 0.348,493 0.867,494 1.54,495 0.82,496 1.209,497 0.672,498 1.033,499 1.046,500 1.112,501 0.9,502 0.955,503 0.609,504 0.907,505 1.273,506 1.163,507 1.068,508 1.023,509 0.995,510 1.022,511 0.841,512 0.968,513 0.902,514 0.928,515 0.8,516 0.913,517 1.047,518 1.069,519 0.9,520 0.946,521 1.35,522 0.906,523 1.264,524 0.988,525 1.042,526 0.9,527 1.29,528 0.921,529 0.874,530 1.179,531 1.164,532 1.227,533 0.754,534 1.23,535 0.629,536 0.922,537 1.043,538 1.152,539 0.795,540 1.16,541 9,542 0.257,543 3.778,544 2.229,545 1.835,546 1.636,547 0.948,548 0.526,549 0.529,550 0.311,551 33252,552 74837,553 2.147,554 47.4,556 26,558 1,559 3,561 7,564 1.801,565 2.033,566 3.984,567 0.764,573 119.776,574 1.536,575 3.725,576 4.76,577 5.211,578 5.359,579 5.385,580 3.482,581 4.803,582 5.322,583 4.263,584 3495.59,585 9.377,586 65299.4,591 490.261,592 1.325,593 5.3,594 0.196,595 0.007,596 0.058,597 0.035,598 0.031,599 0.026,600 0.015,601 0.009,602 0.011,603 0.008,604 0.396,605 0.17,606 0.63,607 1.063,608 237.974,610 -0.259,611 0.078,612 -0.104,613 -0.029,614 -0.018,615 0.063,616 0.046,617 0.067,618 0.049,619 0.136,620 0.057,621 -0.124,622 -0.103,623 -0.081,624 -0.036,625 -0.053,626 -0.054,627 0.032,628 0.039,629 0.082,630 0.037,631 0.088,632 0.065,633 -0.029,634 -0.044,635 0.083,636 0.049,637 -0.023,638 0.079,639 -0.18,640 0.109,641 -0.061,642 0.08,643 -0.133,644 0.04,645 0.024,646 -0.059,647 -0.222,648 -0.189,649 -0.037,650 -0.232,651 0.128,652 0.043,653 -0.085,654 -0.121,655 0.046,656 -0.133,657 1.972,658 5.64,659 0.707,660 60.438,661 0.999,662 1.137,663 3.484,664 12.137,665 0.649,666 3.85,667 4.19,668 4.466,669 4.771,670 5.024,671 5.198,672 5.394,673 5.557,674 5.72,675 5.872,676 10.084,677 0.615,678 555.76,679 3.85,680 5.407,681 6.263,682 7.151,683 8.026,684 8.921,685 9.807,686 10.707,687 11.602,688 12.506,689 11.5,692 1,694 1,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,724 1,726 1,731 78,733 23,734 2,735 46,737 83,738 30,739 17,740 4,741 8,746 6,747 8,751 1,752 1,755 4,758 4,761 18,762 12,766 1,771 1,775 1,781 37,782 10,783 3,784 11,790 9,794 0.667,795 2,801 1,803 1,806 1,811 2,812 4,813 1,815 1,836 1,839 1,840 4,844 3,848 41,854 7,855 3,856 1,858 2,859 2,870 2.6,873 1,874 1,877 20.167,878 14.7,879 8.889,880 4.846,881 4.175,882 1.459,883 1.004,884 8.282,885 13.276,886 4.078,887 4.666,888 5.241,889 5.856,890 6.413,891 6.791,892 7.277,893 7.725,894 8.066,895 8.475,896 1,897 64,898 15.194,900 6.481,901 7.577,902 29.567,904 24.663,905 2.077,906 85.167,910 400.217,911 150.749,912 112.292,914 36.145,917 150.749,918 436.362,919 112.292,920 25.618,921 51.619,922 75.81,923 117.876,924 33.429,925 6.604,926 388.446,928 400.217,929 263.04,930 36.145,933 320.148,934 107.543,935 11,937 76.108,938 116.36,939 68.245,941 400.217,942 148.436,943 150.749,946 400.217,947 40.273,948 118.501,949 54.032,950 86.379,951 400.217,952 148.436,953 150.749,955 0.582,956 0.33,957 0.18,958 0.099,959 32,960 14,961 0.108,962 9,963 3,964 1.172,965 5.206,966 414.433,967 0.207,968 28,969 200.905,974 27.764,975 12.231,976 6.426,977 1.788,978 146.66,979 17.15,980 14.468,984 4.826,985 1.908,986 54.032,987 699.402,988 58,993 12.64,997 -0.306,999 77.941,1000 88.716,1001 0.244,1002 0.593,1003 0.757,1004 0.829,1005 0.853,1006 0.857,1007 5.335,1008 2.168,1009 6.248,1010 6.524,1011 4.875,1012 5.354,1013 2.253,1014 7.054,1015 4.777,1016 6.525,1017 1.879,1018 7.798,1019 5.638,1020 4.443,1021 5.147,1022 1.404,1023 7.908,1024 4.288,1025 7.825,1026 1.848,1027 9.441,1028 5.443,1029 6.466,1030 7.525,1031 2.584,1032 11.009,1033 6.268,1034 9.157,1035 1.755,1036 11.14,1037 5.166,1038 6.836,1039 8.171,1040 2.382,1041 12.71,1042 6.578,1043 10.522,1044 1.475,1045 12.877,1046 4.994,1047 8.321,1048 10.037,1049 3.295,1050 15.336,1051 8.023,1052 11.911,1053 1.238,1054 14.64,1055 4.238,1056 9.075,1057 11.109,1058 3.421,1059 17.424,1060 8.716,1061 13.32,1062 1.086,1063 16.426,1064 3.585,1065 10.342,1066 12.764,1067 4.17,1068 19.895,1069 9.941,1070 3.264,1071 1,1072 18.229,1073 2.306,1074 11.291,1075 14.059,1076 4.467,1077 22.164,1078 10.83,1079 2.882,1080 11.414,1081 20.046,1082 2.275,1083 12.47,1084 15.626,1085 5.115,1086 24.59,1087 11.964,1088 2.799,1089 9.109,1090 21.877,1091 4.627,1092 13.518,1093 17.036,1094 5.504,1095 26.943,1096 12.954,1097 2.701,1098 8.944,1099 23.718,1100 3.792,1101 14.669,1102 18.57,1103 6.092,1104 29.361,1105 14.055,1106 2.512,1107 7.738,1108 25.569,1109 3.649,1110 15.769,1111 20.038,1112 6.531,1113 31.753,1114 15.098,1115 2.445,1116 7.706,1117 27.429,1118 3.318,1119 16.914,1120 21.562,1121 7.084,1122 34.173,1123 16.191,1124 2.275,1125 7.186,1126 29.296,1127 3.163,1128 18.042,1129 23.06,1130 7.551,1131 36.585,1132 17.263,1133 30753,1134 46384,1135 31.323,1136 50.62,1137 69.352,1138 70.029,1139 70.367,1140 68.895,1141 68.858,1142 86.489,1143 9.526,1144 198.94,1145 65.539,1146 5.675,1147 5.562,1148 6.402,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 18.808,1156 1.508,1157 1.522,1158 1.53,1159 1.498,1160 1.497,1161 1.88,1162 0.207,1163 4.325,1164 1.425,1165 4.134,1166 4.184,1167 4.109,1168 3.979,1169 7.431,1170 4.003,1171 3.944,1172 3.986,1173 3.887,1174 3.842,1175 5.137,1176 3.847,1177 3.9,1178 3.942,1179 3.821,1180 3.797,1181 4.786,1182 3.799,1183 3.867,1184 3.907,1185 3.79,1186 3.715,1187 4.743,1188 3.726,1189 3.668,1190 3.754,1191 3.527,1192 3.446,1193 4.67,1194 3.453,1195 3.496,1196 3.569,1197 3.419,1198 3.284,1199 4.484,1200 3.292,1201 3.417,1202 3.48,1203 3.314,1204 3.163,1205 4.345,1206 3.2,1207 3.248,1208 3.338,1209 3.089,1210 3.023,1211 4.104,1212 3.026,1213 0.102,1214 0.077,1215 0.149,1216 0.092,1217 0.071,1218 4.675,1219 0.101,1220 3.562,1221 0.036,1222 6.845,1223 0.248,1224 4.211,1225 0.067,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.032,1234 2.086,1235 1.255,1236 2.066,1237 1.899,1238 1.866,1239 2.01,1240 2.025,1241 1.224,1242 2.022,1243 1.792,1244 1.754,1245 1.908,1246 1.944,1247 1.158,1248 1.939,1249 1.625,1250 1.557,1251 1.878,1252 1.877,1253 1.111,1254 1.879,1255 1.619,1256 1.543,1257 1.86,1258 1.867,1259 1.045,1260 1.863,1261 1.604,1262 1.539,1263 1.849,1264 1.76,1265 1.038,1266 1.798,1267 1.509,1268 1.444,1269 1.681,1270 1.721,1271 0.835,1272 1.711,1273 1.31,1274 1.249,1275 1.596,1276 1.602,1277 0.719,1278 1.587,1279 4.533,1281 5.866,1282 3.045,1283 7.381,1284 5.416,1285 8.981,1286 7.506,1287 10.633,1289 6.149,1295 6.367,1296 9.159,1297 6.061,1299 0.505,1300 4.451,1305 47.997,1306 119.776,1307 290.516,1308 371.268,1309 406.487,1310 417.997,1311 419.997,1312 64.887,1313 9.101,1314 112.47,1315 112.47,1316 34,1317 13.027,1318 4.585,1319 3.7,1320 59.919,1321 248,1322 297,1323 0.115,1324 291.12,1325 497.34,1326 702.093,1327 146057,1329 28.346,1330 0.691,1331 0.58,1332 28.346,1333 23.8,1334 19.945,1335 0.434,1336 0.31,1337 14.021,1338 19.054,1339 13.674,1340 11.329,1341 19.945,1342 14.26,1343 18.314,1344 0.282,1345 0.168,1346 18.314,1347 10.895,1348 15.168,1349 0.176,1350 0.088,1351 15.168,1352 7.551,1353 13.096,1354 0.112,1355 0.046,1356 13.096,1357 5.421,1358 10.579,1359 0.07,1360 0.024,1361 10.579,1362 3.679,1363 0.188,1364 125.537,1365 0.179,1366 37.45,1367 0.295,1368 222,1369 596.34,1370 246.656,1371 576.427,1372 807,1373 544,1374 262,1375 615.961,1376 288.241,1377 620.263,1378 912.34,1379 584,1380 6.684}
{0 CHEMBL576543,1 1.455,2 12.947,3 4.163,4 17.331,5 149.746,6 7.151,7 0.591,8 4.378,9 4.506,10 3.941,11 3.909,12 5.361,13 3.888,14 4.966,15 5.157,16 4.316,17 4.338,18 5.88,19 4.3,20 5.217,21 5.441,22 4.377,23 4.501,24 6.067,25 4.421,26 5.307,27 5.561,28 4.378,29 4.534,30 6.144,31 4.435,32 5.281,33 5.521,34 4.388,35 4.532,36 6.148,37 4.44,38 5.3,39 5.542,40 4.383,41 4.531,42 6.154,43 4.445,44 5.275,45 5.507,46 4.388,47 4.517,48 6.125,49 4.432,50 5.3,51 5.532,52 4.347,53 4.578,54 6.103,55 4.473,56 0.062,57 1.127,58 15.539,59 6.28,60 9.804,61 8.742,62 0.365,63 1.897,64 30.835,65 10.253,66 25.853,67 14.726,68 0.409,69 2.316,70 40.719,71 13.886,72 34.12,73 20.464,74 0.576,75 2.505,76 45.732,77 15.333,78 41.602,79 22.89,80 0.387,81 2.443,82 43.799,83 14.938,84 44.107,85 22.395,86 0.517,87 2.504,88 45.065,89 14.093,90 44.57,91 21.244,92 0.563,93 2.428,94 43.705,95 14.059,96 44.167,97 21.068,98 0.438,99 2.479,100 44.318,101 15.435,102 35.719,103 22.622,104 2,105 63,106 0.224,107 0.555,108 0.745,109 0.815,110 0.829,111 0.829,112 3.668,113 0.929,114 -5.56,115 -5.43,116 -5.07,119 42.3,121 2,124 1,125 7,127 1,142 9,143 4,145 1,147 1,149 1,151 1,152 1,161 1,166 1,172 11,174 3,175 15,183 12,186 2,187 8,195 7,198 8,199 11,207 6,211 2,212 9,220 5,223 3,224 12,232 8,236 4,237 10,245 6,249 2,250 11,258 5,262 1,263 10,271 6,275 2980,276 26.654,277 26.654,278 26.654,279 26.654,280 26.654,281 23.691,282 30.168,283 15.749,284 27.32,285 21.795,286 21.795,287 21.795,288 21.795,289 21.795,290 17.291,291 40.59,292 7.529,293 22.885,294 4.695,295 2.545,296 1.314,297 0.856,298 0.771,299 0.771,300 4.399,306 1124,307 2.739,310 160.754,311 534.767,314 292.84,318 2.064,319 22.227,322 0.5,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.72,330 80.5,331 492,332 4.731,333 3.392,334 6.942,335 4.272,336 3.317,337 4.691,338 0.916,339 11.746,340 3.173,341 4.601,342 3.208,343 6.832,344 4.132,345 3.167,346 4.549,347 0.86,348 11.31,349 3.051,350 4.027,351 3.074,352 6.322,353 3.777,354 2.836,355 3.459,356 0.8,357 9.56,358 2.674,359 3.931,360 2.947,361 5.853,362 3.606,363 2.649,364 3.441,365 0.172,366 8.028,367 2.548,368 3.814,369 2.594,370 5.635,371 3.431,372 2.48,373 3.228,375 7.736,376 2.361,377 3.523,378 2.448,379 5.515,380 3.306,381 2.339,382 2.703,384 7.099,385 2.245,386 3.344,387 2.345,388 5.044,389 3.041,390 2.097,391 2.606,393 6.052,394 1.97,395 3.258,396 2.119,397 4.954,398 2.867,399 1.913,400 2.353,402 5.407,403 1.819,404 3.046,405 1.983,406 4.746,407 2.654,408 1.734,409 2.312,411 4.82,412 1.594,413 2.942,414 1.58,415 4.544,416 2.508,417 1.547,418 2.047,420 4.404,421 1.482,422 2.818,423 1.546,424 4.083,425 2.415,426 1.427,427 1.914,428 3.226,429 1.406,430 2.643,431 1.487,432 3.875,433 2.162,434 1.256,435 1.708,436 2.994,437 1.147,438 2.55,439 1.256,440 3.74,441 2.144,442 1.174,443 1.569,445 2.916,446 1.119,447 2.5,448 1.198,449 3.587,450 2.055,451 1.103,452 1.5,454 2.803,455 1.045,456 2.393,457 1.117,458 3.44,459 2,460 1,461 1.381,463 2.275,464 1,465 18.133,466 0.477,467 0.774,468 0.02,469 49,470 1.289,471 22.5,472 0.592,473 26.5,474 0.697,475 36.942,476 0.972,477 40.067,478 0.564,479 38.74,480 1.019,481 9.449,482 0.249,483 9.293,484 0.245,485 0.028,487 0.336,493 0.847,494 1.458,495 0.787,496 1.157,497 0.753,498 0.997,499 1.423,500 1.068,501 0.964,502 0.879,503 1.02,504 0.87,505 1.1,506 1.177,507 0.993,508 1.016,509 0.905,510 0.996,511 0.817,512 0.921,513 0.948,514 0.919,515 0.984,516 0.936,517 0.868,518 1.182,519 0.946,520 1.038,521 1.114,522 1,523 1.236,524 1.023,525 1.087,526 0.952,527 1.44,528 0.98,529 1.123,530 1.118,531 1.062,532 1.015,533 1.113,534 1.02,535 1.08,536 1.001,537 1.141,538 1.05,539 0.908,540 1.084,541 5.5,542 0.179,543 4,544 2.382,545 1.737,546 1.247,547 0.997,548 0.725,549 0.422,550 0.279,551 24036,552 50941,553 2.256,554 46.5,556 27,557 1,558 1,562 4,564 1.792,565 2.192,566 3.572,567 -0.784,573 103.309,574 1.455,575 3.605,576 4.836,577 5.294,578 5.379,579 5.379,580 3.033,581 4.702,582 5.213,583 3.821,584 2685.92,585 9.214,586 43314,591 436.632,592 1.086,593 5.212,594 0.125,595 0.005,596 0.063,597 0.037,598 0.027,599 0.019,600 0.016,601 0.011,602 0.007,603 0.005,604 0.315,605 0.17,606 0.63,607 0.276,608 208.518,609 0.093,610 -0.262,611 0.106,612 -0.113,613 0.097,614 -0.022,615 -0.101,616 0.072,617 0.009,618 0.085,619 -0.002,620 0.061,621 -0.035,622 -0.119,623 -0.02,624 -0.039,625 0.053,626 -0.033,627 0.116,628 0.122,629 0.036,630 0.036,631 0.05,632 0.027,633 0.037,634 -0.143,635 0.026,636 -0.063,637 -0.016,638 -0.026,639 -0.12,640 0.057,641 -0.095,642 -0.016,643 -0.266,644 -0.043,645 0.029,646 -0.05,647 -0.073,648 -0.064,649 -0.051,650 -0.076,651 -0.136,652 0.057,653 -0.176,654 -0.071,655 -0.067,656 -0.115,657 1.009,658 2.198,659 0.947,660 45.729,661 0.993,662 1.128,663 4.329,664 18.741,665 0.668,666 3.807,667 4.159,668 4.511,669 4.852,670 5.124,671 5.273,672 5.545,673 5.787,674 5.958,675 6.131,676 7.696,677 0.63,678 507.7,679 3.807,680 5.371,681 6.256,682 7.159,683 8.061,684 8.972,685 9.883,686 10.801,687 11.718,688 12.639,689 9.9,692 1,695 1,697 2,699 3,703 4,704 11,705 3,709 4,710 2,711 26,726 1,731 71,733 26,734 2,735 44,737 77,738 30,739 19,740 4,741 8,746 7,747 9,755 3,758 3,761 19,762 11,781 33,782 6,784 8,790 7,794 0.714,795 1,803 1,806 1,807 1,811 2,812 5,815 2,836 1,839 1,840 5,844 1,848 38,854 9,856 1,858 1,859 2,870 1.4,874 1,877 17.333,878 13.067,879 8.167,880 4.505,881 4.731,882 1.515,883 1.04,884 6.362,885 13.925,886 4.06,887 4.7,888 5.375,889 6.046,890 6.606,891 7.029,892 7.582,893 8.11,894 8.491,895 8.946,896 1,897 65,898 14.092,900 6.103,901 7.412,902 27.992,904 24.12,905 1.912,906 72.667,910 388.446,911 156.592,912 60.158,914 11,917 156.592,918 399.446,919 60.158,920 8.396,921 24.782,922 94.334,923 74.72,924 32.817,925 16.243,926 364.904,928 388.446,929 216.751,930 11,933 343.69,934 47.084,935 11,937 42.345,938 121.843,939 50.234,941 388.446,942 71.158,943 156.592,946 388.446,947 44.815,948 121.702,950 61.234,951 388.446,952 71.158,953 156.592,955 0.583,956 0.351,957 0.203,958 0.111,959 34,960 13,961 0.065,962 5,963 2,964 1.111,965 4.83,966 409.701,967 0.111,968 36,969 182.666,974 23.84,975 10.141,976 4.526,977 4.312,978 67.483,979 23.354,980 15.286,984 4.15,985 4.335,987 616.197,988 57,999 70.527,1000 80.095,1001 0.237,1002 0.586,1003 0.786,1004 0.861,1005 0.875,1006 0.875,1007 5.316,1008 1.913,1009 6.236,1010 6.052,1011 4.844,1012 5.389,1013 1.598,1014 7.089,1015 4.752,1016 6.517,1017 1.734,1018 7.811,1019 5.407,1020 4.369,1021 5.198,1022 0.57,1023 8.057,1024 4.225,1025 7.832,1026 1.547,1027 9.489,1028 4.82,1029 6.466,1030 7.656,1031 1.256,1032 11.223,1033 6.286,1034 9.188,1035 1.427,1036 11.233,1037 4.404,1038 6.878,1039 8.405,1040 0.581,1041 13.074,1042 6.649,1043 10.585,1044 1.256,1045 13.019,1046 3.226,1047 8.399,1048 10.294,1049 1.023,1050 15.747,1051 8.133,1052 12.01,1053 1.174,1054 14.836,1055 2.994,1056 9.22,1057 11.476,1058 0.515,1059 17.948,1060 8.908,1061 13.458,1062 1.103,1063 16.675,1064 2.916,1065 10.514,1066 13.145,1067 0.84,1068 20.464,1069 10.165,1070 3.317,1071 1,1072 18.53,1073 2.803,1074 11.526,1075 14.524,1076 0.441,1077 22.806,1078 11.132,1079 3.167,1080 11.746,1081 20.397,1082 2.275,1083 12.734,1084 16.106,1085 0.689,1086 25.271,1087 12.302,1088 2.836,1089 11.31,1090 22.275,1091 4.691,1092 13.833,1093 17.572,1094 0.373,1095 27.673,1096 13.357,1097 2.649,1098 9.56,1099 24.161,1100 4.549,1101 15.013,1102 19.122,1103 0.564,1104 30.122,1105 14.497,1106 2.48,1107 8.028,1108 26.054,1109 3.459,1110 16.152,1111 20.625,1112 0.314,1113 32.548,1114 15.594,1115 2.339,1116 7.736,1117 27.952,1118 3.441,1119 17.325,1120 22.164,1121 0.461,1122 34.995,1123 16.726,1124 2.097,1125 7.099,1126 29.855,1127 3.228,1128 18.484,1129 23.684,1130 0.264,1131 37.433,1132 17.843,1133 21534,1134 31540,1135 30.917,1136 47.393,1137 67.335,1138 67.312,1139 67.839,1140 67.121,1141 67.042,1142 86.88,1143 5.498,1144 196.969,1145 63.931,1146 5.731,1147 5.392,1148 6.744,1149 5.375,1150 5.317,1151 7.691,1152 1.776,1153 19.297,1154 5.173,1155 8.373,1156 1.53,1157 1.53,1158 1.542,1159 1.525,1160 1.524,1161 1.975,1162 0.125,1163 4.477,1164 1.453,1165 4.188,1166 4.231,1167 4.161,1168 4.076,1169 5.144,1170 4.09,1171 4.057,1172 4.103,1173 4.022,1174 3.914,1175 4.907,1176 3.935,1177 3.927,1178 3.968,1179 3.851,1180 3.848,1181 4.755,1182 3.846,1183 3.786,1184 3.844,1185 3.679,1186 3.63,1187 4.628,1188 3.632,1189 3.695,1190 3.753,1191 3.577,1192 3.485,1193 4.526,1194 3.5,1195 3.472,1196 3.534,1197 3.379,1198 3.33,1199 4.281,1200 3.333,1201 3.29,1202 3.362,1203 3.208,1204 3.093,1205 4.246,1206 3.107,1207 3.165,1208 3.233,1209 3.043,1210 3.026,1211 4,1212 3.022,1213 0.108,1214 0.077,1215 0.158,1216 0.097,1217 0.075,1218 4.731,1219 0.107,1220 3.392,1221 0.021,1222 6.942,1223 0.267,1224 4.272,1225 0.072,1226 3.317,1227 4.691,1228 0.916,1229 11.746,1230 3.173,1231 1.984,1232 1.958,1233 2.083,1234 2.115,1235 1.427,1236 2.1,1237 1.929,1238 1.893,1239 2.044,1240 2.054,1241 1.228,1242 2.057,1243 1.838,1244 1.795,1245 1.99,1246 1.974,1247 1.182,1248 1.974,1249 1.774,1250 1.722,1251 1.935,1252 1.95,1253 1.14,1254 1.957,1255 1.593,1256 1.542,1257 1.771,1258 1.785,1259 0.89,1260 1.782,1261 1.558,1262 1.494,1263 1.72,1264 1.776,1265 0.833,1266 1.769,1267 1.316,1268 1.237,1269 1.514,1270 1.601,1271 0.825,1272 1.57,1273 1.158,1274 1.096,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.489,1281 5.832,1282 3.045,1283 7.378,1284 5.416,1285 9.016,1286 7.535,1287 10.705,1289 2.084,1295 8.292,1297 5.65,1299 0.325,1300 4.879,1305 44.713,1306 103.309,1307 255.941,1308 343.348,1309 375.877,1310 381.877,1311 381.877,1312 47.538,1313 9.194,1314 64.24,1315 64.24,1316 40,1317 13.148,1318 4.755,1319 3.807,1320 48.428,1321 169,1322 219,1323 0.134,1324 266.142,1325 443.29,1326 641.146,1327 142926,1329 25.476,1330 0.67,1331 0.574,1332 25.476,1333 21.831,1334 18.742,1335 0.426,1336 0.31,1337 13.432,1338 18.02,1339 13.157,1340 10.796,1341 18.742,1342 13.631,1343 16.87,1344 0.268,1345 0.166,1346 16.87,1347 10.46,1348 15.183,1349 0.169,1350 0.089,1351 15.183,1352 8.035,1353 13.56,1354 0.107,1355 0.047,1356 13.56,1357 6.015,1358 11.424,1359 0.068,1360 0.026,1361 11.424,1362 4.309,1363 0.21,1364 117.109,1365 0.18,1366 34.133,1367 0.375,1368 214,1369 521.251,1370 232.199,1371 507.855,1372 727.74,1373 484,1374 260,1375 564.183,1376 281.891,1377 571.177,1378 850.69,1379 540,1380 5.285}
{0 CHEMBL576768,1 1.571,2 13.316,3 2.147,4 4.61,5 142.524,6 7.707,7 0.591,8 4.325,9 4.447,10 3.943,11 3.848,12 5.386,13 3.848,14 4.898,15 5.073,16 4.323,17 4.273,18 5.911,19 4.256,20 5.154,21 5.371,22 4.383,23 4.412,24 6.122,25 4.361,26 5.205,27 5.437,28 4.357,29 4.415,30 6.227,31 4.353,32 5.154,33 5.371,34 4.339,35 4.418,36 6.127,37 4.352,38 5.187,39 5.41,40 4.358,41 4.427,42 6.139,43 4.365,44 5.184,45 5.411,46 4.313,47 4.42,48 6.126,49 4.347,50 5.177,51 5.404,52 4.276,53 4.446,54 6.075,55 4.347,56 0.059,57 1.084,58 12.854,59 5.518,60 8.834,61 7.248,62 0.395,63 1.793,64 26.256,65 9.151,66 26.718,67 12.375,68 0.464,69 2.162,70 36.748,71 12.256,72 41.159,73 17.372,74 0.735,75 2.231,76 40.096,77 12.726,78 71.024,79 17.894,80 0.458,81 2.142,82 36.753,83 12.763,84 56.092,85 17.962,86 0.558,87 2.266,88 37.864,89 12.042,90 49.986,91 17.306,92 0.657,93 2.199,94 38.33,95 12.207,96 55.789,97 17.617,98 0.449,99 2.15,100 37.643,101 14.457,102 44.242,103 20.271,104 2,105 63,106 0.245,107 0.597,108 0.77,109 0.837,110 0.846,111 0.846,112 3.668,113 0.893,114 -4.3,115 -4.24,116 -4,119 42.4,121 2,125 6,127 1,142 6,143 4,145 3,147 1,149 1,151 1,152 1,158 1,161 1,166 1,172 7,174 4,175 15,180 3,183 7,186 2,187 9,192 2,195 4,198 8,199 12,204 1,207 6,211 2,212 8,220 4,223 2,224 14,227 2,232 6,236 4,237 7,245 5,249 4,250 8,253 2,255 1,258 5,262 1,263 8,266 1,271 3,275 3004,276 26.654,277 26.654,278 26.654,279 26.654,280 26.654,281 23.689,282 24.915,283 15.681,284 27.328,285 21.767,286 21.767,287 21.767,288 21.767,289 21.767,290 17.163,291 33.06,292 7.471,293 22.837,294 4.473,295 2.208,296 1.095,297 0.667,298 0.606,299 0.606,300 4.399,305 1,306 1157,307 3,310 174.562,311 543.883,314 304.908,318 2.036,319 32.874,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 82,331 506,332 4.696,333 3.694,334 6.903,335 4.24,336 3.291,337 4.642,338 1.2,339 11.618,340 3.125,341 4.439,342 3.378,343 6.399,344 3.97,345 2.992,346 4.372,347 0.86,348 9.733,349 2.928,350 4.239,351 3.029,352 6.326,353 3.941,354 2.959,355 3.716,356 0.8,357 9.588,358 2.902,359 4.041,360 2.979,361 6.264,362 3.736,363 2.793,364 3.533,365 0.293,366 9.432,367 2.636,368 3.902,369 2.65,370 5.973,371 3.537,372 2.578,373 3.285,375 8.476,376 2.474,377 3.562,378 2.492,379 5.58,380 3.312,381 2.353,382 2.792,384 7.188,385 2.242,386 3.362,387 2.336,388 5.231,389 3.07,390 2.121,391 2.49,393 6.301,394 2.008,395 3.052,396 2.169,397 4.77,398 2.691,399 1.762,400 2.325,402 4.859,403 1.635,404 3.033,405 2.043,406 4.507,407 2.528,408 1.553,409 2.299,411 4.507,412 1.52,413 3.003,414 1.552,415 4.326,416 2.494,417 1.533,418 2.092,420 4.109,421 1.461,422 2.825,423 1.533,424 4.133,425 2.452,426 1.5,427 1.913,428 3.448,429 1.419,430 2.609,431 1.528,432 3.851,433 2.159,434 1.257,435 1.654,436 3.064,437 1.128,438 2.516,439 1.323,440 3.766,441 2.093,442 1.142,443 1.511,445 2.904,446 1.081,447 2.5,448 1.256,449 3.452,450 1.984,451 1.028,452 1.5,454 2.395,455 0.983,456 2.427,457 1.141,458 3.414,459 1.981,460 1,461 1.401,463 2.275,464 0.976,465 17.867,466 0.47,467 0.774,468 0.02,469 51,470 1.342,471 24,472 0.632,473 27,474 0.711,475 34.466,476 0.907,477 39.733,478 0.602,479 40.802,480 1.074,481 9.862,482 0.26,483 8.881,484 0.234,485 0.019,487 0.347,493 0.789,494 1.436,495 0.719,496 1.124,497 0.568,498 0.944,499 1.12,500 1.124,501 0.92,502 0.93,503 0.712,504 0.896,505 1.041,506 1.154,507 0.946,508 0.994,509 0.788,510 0.957,511 1.132,512 0.862,513 1.041,514 0.881,515 1.556,516 0.932,517 0.994,518 1.135,519 0.991,520 1.04,521 1.318,522 1.019,523 1.041,524 1.102,525 1.099,526 1.026,527 0.905,528 1.049,529 0.998,530 0.993,531 1.115,532 0.977,533 0.738,534 1.033,535 0.63,536 0.984,537 1.002,538 1.15,539 0.574,540 1.138,541 5.5,542 0.248,543 4.667,544 2.229,545 1.822,546 1.375,547 0.96,548 0.571,549 0.413,550 0.289,551 24612,552 60896,553 2.256,554 42.4,556 19,557 1,558 3,559 1,562 4,564 1.791,565 2.192,566 3.666,567 -0.348,573 103.718,574 1.571,575 3.836,576 4.949,577 5.378,578 5.438,579 5.438,580 3.097,581 4.827,582 5.215,583 3.862,584 2715.07,585 9.21,586 44109,591 398.93,592 1.086,593 5.212,594 0.125,595 0.006,596 0.074,597 0.034,598 0.029,599 0.022,600 0.015,601 0.01,602 0.007,603 0.006,604 0.329,605 0.17,606 0.75,607 0.276,608 209.251,609 0.011,610 -0.249,611 0.088,612 -0.105,613 0.026,614 -0.017,615 -0.062,616 0.003,617 -0.014,618 0.033,619 -0.002,620 0.017,621 -0.063,622 -0.119,623 0.014,624 -0.023,625 0.055,626 0.002,627 -0.036,628 0.169,629 -0.051,630 0.064,631 -0.111,632 0.012,633 -0.062,634 -0.116,635 -0.036,636 -0.051,637 -0.156,638 -0.044,639 -0.098,640 -0.031,641 -0.143,642 -0.084,643 -0.118,644 -0.112,645 -0.045,646 0.058,647 -0.15,648 -0.026,649 -0.036,650 -0.084,651 0.106,652 0.005,653 -0.061,654 -0.128,655 0.095,656 -0.123,657 1.638,658 5.925,659 0.947,660 47.058,661 1.005,662 1.13,663 3.074,664 9.449,665 0.675,666 3.807,667 4.159,668 4.511,669 4.82,670 5.088,671 5.257,672 5.513,673 5.727,674 5.905,675 6.114,676 7.847,677 0.65,678 508.64,679 3.807,680 5.371,681 6.256,682 7.152,683 8.052,684 8.956,685 9.863,686 10.772,687 11.683,688 12.597,689 12.1,695 1,696 1,697 2,699 4,703 4,704 10,705 4,706 1,709 4,710 1,711 26,719 1,726 1,731 66,733 27,734 1,735 44,737 72,738 28,739 18,740 3,741 3,742 1,746 7,747 9,755 3,758 3,761 19,762 9,766 1,771 1,775 1,781 28,782 8,783 1,784 10,790 8,794 0.714,795 2,803 1,805 1,806 1,807 1,811 2,812 5,815 2,839 1,840 5,848 38,854 8,856 1,858 1,859 2,870 3,873 1,874 1,877 17.333,878 11.9,879 8.167,880 4.168,881 4.65,882 1.508,883 1.047,884 6.127,885 13.798,886 4.078,887 4.71,888 5.38,889 6.016,890 6.565,891 6.999,892 7.533,893 8.031,894 8.419,895 8.932,896 0.889,897 65,898 14.1,900 6.2,901 7.588,902 27.416,904 23.552,905 2.088,906 79.333,910 317.82,911 140.461,912 91.83,914 36.145,917 140.461,918 353.965,919 91.83,921 25.801,922 65.905,923 144.898,924 62.674,925 16.243,926 270.735,928 317.82,929 232.291,930 36.145,933 273.063,934 72.229,935 11,937 73.221,938 89.723,939 67.02,941 317.82,942 127.975,943 140.461,946 317.82,947 47.414,948 101.072,949 16.786,950 103.164,951 317.82,952 127.975,953 140.461,955 0.584,956 0.354,957 0.198,958 0.106,959 34,960 13,961 0.056,962 4,963 2,964 1.111,965 4.866,966 405.992,967 0.111,968 36,969 191.421,974 23.478,975 9.916,976 4.404,977 3.995,978 109.413,979 19.085,980 19.023,981 3.252,984 3.187,985 2.047,986 16.786,987 586.256,988 58,993 12.925,997 0.029,999 66.305,1000 74.557,1001 0.26,1002 0.635,1003 0.819,1004 0.89,1005 0.9,1006 0.9,1007 5.33,1008 1.762,1009 6.236,1010 6.301,1011 4.844,1012 5.398,1013 1.844,1014 7.083,1015 4.756,1016 6.532,1017 1.553,1018 7.811,1019 4.859,1020 4.369,1021 5.19,1022 0.57,1023 8.03,1024 4.255,1025 7.845,1026 1.533,1027 9.488,1028 4.507,1029 6.466,1030 7.651,1031 1.806,1032 11.175,1033 6.299,1034 9.199,1035 1.5,1036 11.228,1037 4.109,1038 6.878,1039 8.369,1040 0.801,1041 12.973,1042 6.686,1043 10.591,1044 1.257,1045 13.008,1046 3.448,1047 8.39,1048 10.253,1049 1.913,1050 15.616,1051 8.15,1052 12.009,1053 1.142,1054 14.815,1055 3.064,1056 9.199,1057 11.393,1058 1.074,1059 17.752,1060 8.928,1061 13.448,1062 1.028,1063 16.641,1064 2.904,1065 10.481,1066 13.05,1067 2.092,1068 20.233,1069 10.165,1070 3.291,1071 1,1072 18.48,1073 2.395,1074 11.472,1075 14.387,1076 1.404,1077 22.518,1078 11.119,1079 2.992,1080 11.618,1081 20.33,1082 2.275,1083 12.665,1084 15.953,1085 2.32,1086 24.947,1087 12.268,1088 2.959,1089 9.733,1090 22.187,1091 4.642,1092 13.741,1093 17.384,1094 1.768,1095 27.303,1096 13.302,1097 2.793,1098 9.588,1099 24.051,1100 4.372,1101 14.902,1102 18.915,1103 2.581,1104 29.722,1105 14.419,1106 2.578,1107 9.432,1108 25.921,1109 3.716,1110 16.019,1111 20.39,1112 2.15,1113 32.115,1114 15.491,1115 2.353,1116 8.476,1117 27.795,1118 3.533,1119 17.172,1120 21.909,1121 2.867,1122 34.537,1123 16.598,1124 2.121,1125 7.188,1126 29.674,1127 3.285,1128 18.31,1129 23.405,1130 2.538,1131 36.952,1132 17.689,1133 21988,1134 34748,1135 30.917,1136 44.569,1137 67.897,1138 68.502,1139 67.774,1140 67.377,1141 67.333,1142 87.999,1143 6.306,1144 197.57,1145 64.33,1146 5.696,1147 5.694,1148 6.705,1149 5.344,1150 5.291,1151 7.642,1152 2.293,1153 19.168,1154 5.125,1155 8.383,1156 1.543,1157 1.557,1158 1.54,1159 1.531,1160 1.53,1161 2,1162 0.143,1163 4.49,1164 1.462,1165 4.172,1166 4.217,1167 4.143,1168 4.058,1169 7.428,1170 4.071,1171 4.056,1172 4.101,1173 4.017,1174 3.913,1175 5.144,1176 3.937,1177 3.913,1178 3.953,1179 3.862,1180 3.788,1181 4.958,1182 3.8,1183 3.78,1184 3.839,1185 3.678,1186 3.62,1187 4.878,1188 3.623,1189 3.693,1190 3.751,1191 3.58,1192 3.484,1193 4.631,1194 3.5,1195 3.463,1196 3.518,1197 3.405,1198 3.325,1199 4.554,1200 3.335,1201 3.252,1202 3.295,1203 3.183,1204 3.037,1205 4.232,1206 3.068,1207 3.111,1208 3.206,1209 3.008,1210 2.941,1211 4.161,1212 2.916,1213 0.107,1214 0.084,1215 0.157,1216 0.096,1217 0.075,1218 4.696,1219 0.105,1220 3.694,1221 0.027,1222 6.903,1223 0.264,1224 4.24,1225 0.071,1226 3.291,1227 4.642,1228 1.2,1229 11.618,1230 3.125,1231 1.978,1232 1.952,1233 2.059,1234 2.109,1235 1.412,1236 2.092,1237 1.887,1238 1.845,1239 2.028,1240 2.044,1241 1.222,1242 2.039,1243 1.818,1244 1.781,1245 1.937,1246 1.97,1247 1.163,1248 1.964,1249 1.763,1250 1.71,1251 1.923,1252 1.937,1253 0.966,1254 1.934,1255 1.584,1256 1.535,1257 1.72,1258 1.791,1259 0.885,1260 1.773,1261 1.483,1262 1.421,1263 1.658,1264 1.688,1265 0.825,1266 1.686,1267 1.29,1268 1.221,1269 1.513,1270 1.593,1271 0.825,1272 1.548,1273 1.153,1274 1.08,1275 1.513,1276 1.376,1277 0.658,1278 1.429,1279 4.489,1281 5.832,1282 3.045,1283 7.378,1284 5.352,1285 9.012,1286 7.424,1287 10.693,1295 5.858,1297 5.604,1299 0.151,1300 4.178,1305 42.869,1306 103.718,1307 253.204,1308 326.665,1309 354.93,1310 358.93,1311 358.93,1312 54.997,1313 9.148,1314 105.06,1315 105.06,1316 40,1317 13.11,1318 4.807,1319 3.907,1320 48.461,1321 173,1322 207,1323 0.131,1324 254.82,1325 425.84,1326 613.522,1327 134989,1329 25.476,1330 0.67,1331 0.551,1332 25.476,1333 20.955,1334 18.742,1335 0.426,1336 0.298,1337 12.879,1338 17.92,1339 12.702,1340 10.372,1341 18.742,1342 13.092,1343 16.819,1344 0.267,1345 0.156,1346 16.819,1347 9.841,1348 15.444,1349 0.172,1350 0.084,1351 15.444,1352 7.562,1353 13.367,1354 0.109,1355 0.045,1356 13.367,1357 5.501,1358 10.99,1359 0.068,1360 0.024,1361 10.99,1362 3.858,1363 0.205,1364 117.943,1365 0.18,1366 34.247,1367 0.362,1368 214,1369 589.32,1370 235.773,1371 567.911,1372 800.02,1373 538,1374 260,1375 610.791,1376 284.883,1377 613.719,1378 912.24,1379 581,1380 5.231}
{0 CHEMBL576782,1 1.697,2 15.35,3 2.226,4 4.956,5 145.467,6 7.396,7 0.364,8 4.428,9 4.558,10 3.984,11 3.852,12 5.496,13 3.86,14 5.022,15 5.215,16 4.349,17 4.251,18 6.103,19 4.235,20 5.27,21 5.502,22 4.431,23 4.416,24 6.268,25 4.377,26 5.329,27 5.555,28 4.447,29 4.456,30 6.394,31 4.413,32 5.314,33 5.533,34 4.44,35 4.488,36 6.437,37 4.434,38 5.31,39 5.534,40 4.427,41 4.521,42 6.269,43 4.445,44 5.357,45 5.605,46 4.395,47 4.508,48 6.315,49 4.425,50 5.316,51 5.55,52 4.361,53 4.504,54 6.324,55 4.402,56 0.142,57 1.214,58 16.053,59 6.178,60 12.871,61 8.702,62 0.872,63 1.883,64 33.523,65 10,66 65.006,67 14.779,68 0.939,69 2.221,70 44.808,71 12.075,72 76.366,73 19.041,74 1.072,75 2.281,76 47.716,77 13.084,78 100.29,79 19.767,80 1.149,81 2.31,82 46.539,83 13.258,84 138.858,85 20.197,86 0.779,87 2.402,88 44.765,89 14.241,90 63.333,91 21.779,92 0.977,93 2.393,94 48.698,95 14.084,96 77.059,97 22.305,98 0.829,99 2.328,100 45.929,101 16.537,102 86.649,103 23.666,104 40,105 61,106 0.262,107 0.589,108 0.791,109 0.86,110 0.86,111 0.86,112 3.718,113 0.935,114 -4.2,115 -4.14,116 -3.91,119 36,120 2,121 2,125 8,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 13,178 2,179 1,180 2,183 5,186 2,187 7,192 2,195 2,198 6,199 17,204 3,207 4,211 2,212 8,217 2,220 2,223 3,224 15,227 2,229 1,232 7,236 5,237 3,245 6,249 6,250 6,253 4,255 1,258 8,263 7,266 1,275 3632,276 27.447,277 27.447,278 27.447,279 27.447,280 27.447,281 25.428,282 37.11,283 16.427,284 28.372,285 21.66,286 21.66,287 21.66,288 21.66,289 21.66,290 18.35,291 48.801,292 7.676,293 23.053,294 4.532,295 2.413,296 1.107,297 0.66,298 0.66,299 0.66,300 4.422,306 1315,307 4.183,310 98.761,311 493.785,314 176.992,318 2.27,319 49.005,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 89.5,331 614,332 4.698,333 3.768,334 6.935,335 4.252,336 3.305,337 4.639,338 2.208,339 11.724,340 3.131,341 4.186,342 3.546,343 6.458,344 3.869,345 2.931,346 3.796,347 1.656,348 9.978,349 2.766,350 4.059,351 3.421,352 6.131,353 3.787,354 2.819,355 3.391,356 0.86,357 9.021,358 2.716,359 3.935,360 3.117,361 6.025,362 3.689,363 2.756,364 3.173,365 0.8,366 8.563,367 2.554,368 3.832,369 2.841,370 5.776,371 3.507,372 2.548,373 3.101,374 0.655,375 7.68,376 2.434,377 3.554,378 2.601,379 5.471,380 3.335,381 2.368,382 2.714,383 0.247,384 7.332,385 2.278,386 3.458,387 2.4,388 5.094,389 3.065,390 2.087,391 2.635,392 0.13,393 5.664,394 2.029,395 3.125,396 2.325,397 4.827,398 2.846,399 1.905,400 2.226,402 5.52,403 1.787,404 2.963,405 2.168,406 4.466,407 2.478,408 1.566,409 2.158,411 4.296,412 1.427,413 2.736,414 2.089,415 4.352,416 2.456,417 1.513,418 1.758,420 4.04,421 1.415,422 2.511,423 1.807,424 4.141,425 2.333,426 1.414,427 1.511,428 3.391,429 1.291,430 2.5,431 1.755,432 3.936,433 2.281,434 1.348,435 1.5,436 2.989,437 1.237,438 2.438,439 1.535,440 3.654,441 2.133,442 1.227,443 1.417,445 2.897,446 1.101,447 2.414,448 1.452,449 3.537,450 2.039,451 1.098,452 1.414,454 2.494,455 1.028,456 2.341,457 1.22,458 3.414,459 2,460 1,461 1.327,463 2.275,464 1,465 18.319,466 0.458,467 0.866,468 0.022,469 46,470 1.15,471 18,472 0.45,473 28,474 0.7,475 42.254,476 1.056,477 45.881,478 0.612,479 41.092,480 1.027,481 9.017,482 0.225,483 10.461,484 0.262,485 0.107,487 0.338,488 1,493 0.739,494 1.528,495 0.765,496 1.339,497 0.554,498 1.098,499 0.891,500 1.101,501 0.905,502 0.977,503 0.655,504 0.948,505 0.974,506 1.011,507 0.925,508 0.911,509 0.753,510 0.894,511 1.11,512 0.909,513 1.038,514 0.916,515 1.071,516 0.947,517 0.985,518 0.914,519 1.047,520 0.927,521 1.028,522 0.984,523 0.675,524 1.105,525 1.001,526 1.156,527 0.581,528 1.148,529 0.68,530 0.933,531 0.982,532 0.986,533 0.453,534 1.023,535 0.546,536 0.995,537 0.941,538 1.221,539 0.549,540 1.188,541 7,542 0.4,543 4.889,544 2.472,545 1.956,546 1.646,547 1.252,548 0.682,549 0.433,550 0.418,551 25497,552 74546,553 2.092,554 46.7,556 22,558 1,559 2,561 6,562 4,564 1.804,565 1.967,566 3.803,567 0.224,573 127.255,574 1.697,575 3.816,576 5.122,577 5.569,578 5.569,579 5.569,580 3.315,581 5.072,582 5.279,583 4.009,584 3127.12,585 9.355,586 53844.9,591 467.161,592 1.376,593 5.257,594 0.159,595 0.009,596 0.08,597 0.037,598 0.03,599 0.025,600 0.019,601 0.011,602 0.007,603 0.008,604 0.386,605 0.33,606 0.63,607 1.422,608 225.339,609 -0.029,610 -0.292,611 0.069,612 -0.163,613 -0.021,614 -0.047,615 0.072,616 0.011,617 0.034,618 0.048,619 0.054,620 0.028,621 -0.086,622 -0.007,623 0.032,624 0.07,625 -0.024,626 0.081,627 -0.151,628 0.056,629 -0.072,630 0.052,631 -0.117,632 0.014,633 -0.082,634 0.071,635 -0.1,636 0.075,637 -0.041,638 -0.002,639 -0.016,640 -0.083,641 -0.1,642 -0.114,643 -0.04,644 -0.127,645 0.004,646 0.038,647 -0.054,648 0.002,649 0.032,650 -0.025,651 0.137,652 0.024,653 -0.03,654 -0.139,655 0.097,656 -0.132,657 2.135,658 5.188,659 0.675,660 59.32,661 1.013,662 1.146,663 2.97,664 8.822,665 0.633,666 3.807,667 4.127,668 4.431,669 4.718,670 4.99,671 5.176,672 5.425,673 5.635,674 5.802,675 5.991,676 8.535,677 0.611,678 554.7,679 3.807,680 5.352,681 6.213,682 7.098,683 7.982,684 8.879,685 9.776,686 10.682,687 11.588,688 12.5,689 10.7,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 75,733 18,734 1,735 44,737 79,738 27,739 11,740 2,741 4,744 1,746 5,747 6,751 1,752 3,755 4,758 4,761 13,762 14,766 2,771 2,775 2,779 1,781 35,782 12,783 2,784 13,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 2,846 1,848 40,854 10,855 2,856 2,858 2,859 2,869 1,870 5.3,873 2,874 1,875 1,877 20.333,878 13.843,879 8.972,880 4.809,881 3.169,882 1.362,883 0.962,884 9.349,885 11.912,886 4.007,887 4.551,888 5.128,889 5.734,890 6.299,891 6.76,892 7.292,893 7.78,894 8.148,895 8.582,896 0.909,897 66,898 14.885,900 6.352,901 7.85,902 28.34,904 23.305,905 2.35,906 94,910 388.446,911 126.267,912 94.281,914 72.29,915 14.96,917 126.267,918 460.736,919 109.241,920 17.65,921 74.885,922 37.905,923 125.01,924 35.791,925 28.326,926 376.675,928 388.446,929 220.547,930 87.25,933 288.023,934 179.001,935 11,937 105.075,938 62.911,939 50.234,941 403.406,942 166.57,943 126.267,946 388.446,947 61.664,948 72.628,949 36.022,950 137.484,951 388.446,952 181.531,953 126.267,955 0.572,956 0.338,957 0.184,958 0.101,959 28,960 13,961 0.089,962 7,963 1,964 1.074,965 4.88,966 408.205,967 0.074,968 27,969 204.877,974 28.526,975 13.109,976 6.508,977 1.606,978 179.754,979 9.042,980 14.699,984 2.699,985 1.961,986 36.022,987 696.243,988 54,993 24.092,997 -0.748,999 76.007,1000 85.977,1001 0.272,1002 0.613,1003 0.822,1004 0.894,1005 0.894,1006 0.894,1007 5.263,1008 1.905,1009 6.192,1010 5.664,1011 4.812,1012 5.239,1013 2.857,1014 7.02,1015 4.7,1016 6.438,1017 1.566,1018 7.759,1019 5.52,1020 4.369,1021 5.056,1022 2.2,1023 7.96,1024 4.225,1025 7.738,1026 1.513,1027 9.429,1028 4.296,1029 6.415,1030 7.39,1031 3.824,1032 11.089,1033 6.197,1034 9.074,1035 1.414,1036 11.161,1037 4.04,1038 6.825,1039 8.101,1040 3.876,1041 12.883,1042 6.568,1043 10.449,1044 1.348,1045 12.933,1046 3.391,1047 8.316,1048 9.923,1049 5.122,1050 15.531,1051 7.995,1052 11.85,1053 1.227,1054 14.733,1055 2.989,1056 9.118,1057 11.054,1058 5.498,1059 17.679,1060 8.748,1061 13.272,1062 1.098,1063 16.554,1064 2.897,1065 10.39,1066 12.685,1067 6.553,1068 20.174,1069 9.963,1070 3.305,1071 1,1072 18.389,1073 2.494,1074 11.377,1075 14.023,1076 7.101,1077 22.48,1078 10.897,1079 2.931,1080 11.724,1081 20.237,1082 2.275,1083 12.566,1084 15.582,1085 8.048,1086 24.928,1087 12.031,1088 2.819,1089 9.978,1090 22.095,1091 4.639,1092 13.642,1093 17.019,1094 8.696,1095 27.307,1096 13.053,1097 2.756,1098 9.021,1099 23.961,1100 3.796,1101 14.804,1102 18.554,1103 9.58,1104 29.747,1105 14.161,1106 2.548,1107 8.563,1108 25.834,1109 3.391,1110 15.925,1111 20.039,1112 10.287,1113 32.161,1114 15.227,1115 2.368,1116 7.68,1117 27.713,1118 3.173,1119 17.083,1120 21.568,1121 11.134,1122 34.603,1123 16.332,1124 2.087,1125 7.332,1126 29.598,1127 3.101,1128 18.228,1129 23.076,1130 11.875,1131 37.036,1132 17.422,1133 24530,1134 42069,1135 29.531,1136 47.461,1137 65.745,1138 68.304,1139 68.15,1140 65.263,1141 65.324,1142 79.662,1143 13.112,1144 187.729,1145 61.643,1146 5.698,1147 5.768,1148 6.799,1149 5.356,1150 5.305,1151 7.639,1152 3.912,1153 19.354,1154 5.131,1155 20.347,1156 1.494,1157 1.552,1158 1.549,1159 1.483,1160 1.485,1161 1.81,1162 0.298,1163 4.267,1164 1.401,1165 4.143,1166 4.194,1167 4.118,1168 3.984,1169 8.196,1170 4.01,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.434,1176 3.811,1177 3.828,1178 3.883,1179 3.737,1180 3.652,1181 7.43,1182 3.661,1183 3.752,1184 3.807,1185 3.651,1186 3.546,1187 5.135,1188 3.56,1189 3.628,1190 3.697,1191 3.536,1192 3.374,1193 4.752,1194 3.399,1195 3.525,1196 3.578,1197 3.392,1198 3.294,1199 4.631,1200 3.301,1201 3.328,1202 3.395,1203 3.241,1204 3.095,1205 4.501,1206 3.121,1207 3.265,1208 3.352,1209 3.126,1210 3.084,1211 4.462,1212 3.065,1213 0.107,1214 0.086,1215 0.158,1216 0.097,1217 0.075,1218 4.698,1219 0.105,1220 3.768,1221 0.05,1222 6.935,1223 0.266,1224 4.252,1225 0.071,1226 3.305,1227 4.639,1228 2.208,1229 11.724,1230 3.131,1231 1.957,1232 1.925,1233 2.051,1234 2.106,1235 1.409,1236 2.087,1237 1.849,1238 1.8,1239 2.015,1240 2.027,1241 1.259,1242 2.024,1243 1.794,1244 1.744,1245 1.963,1246 1.978,1247 1.109,1248 1.975,1249 1.62,1250 1.574,1251 1.803,1252 1.846,1253 0.995,1254 1.825,1255 1.535,1256 1.463,1257 1.783,1258 1.786,1259 0.939,1260 1.778,1261 1.488,1262 1.427,1263 1.731,1264 1.743,1265 0.906,1266 1.751,1267 1.295,1268 1.212,1269 1.631,1270 1.588,1271 0.872,1272 1.566,1273 1.279,1274 1.202,1275 1.513,1276 1.519,1277 0.825,1278 1.548,1279 4.489,1281 5.808,1282 2.398,1283 7.328,1284 4.727,1285 8.943,1286 6.862,1287 10.61,1289 3.914,1291 12.343,1295 4.246,1296 5.131,1297 10.837,1299 0.209,1300 3.97,1305 45.789,1306 127.255,1307 286.191,1308 384.142,1309 417.652,1310 417.652,1311 417.652,1312 84.402,1313 8.743,1314 126.74,1315 126.74,1316 29,1317 13.016,1318 4.248,1319 3.459,1320 63.677,1321 197,1322 270,1323 0.154,1324 277.988,1325 486.63,1326 670.05,1327 79772,1328 1.3,1329 28.062,1330 0.702,1331 0.57,1332 27.355,1333 22.807,1334 19.478,1335 0.443,1336 0.312,1337 13.41,1338 18.311,1339 13.187,1340 10.813,1341 18.978,1342 13.707,1343 17.095,1344 0.28,1345 0.162,1346 16.741,1347 9.879,1348 14.676,1349 0.177,1350 0.087,1351 14.407,1352 7.191,1353 12.393,1354 0.112,1355 0.046,1356 12.334,1357 5.114,1358 10.101,1359 0.069,1360 0.025,1361 9.787,1362 3.578,1363 0.242,1364 124.774,1365 0.184,1366 35.891,1367 0.422,1368 210,1369 719.59,1370 241.694,1371 645.184,1372 871.26,1373 608,1374 249,1375 626.76,1376 280.377,1377 618.285,1378 917.32,1379 583,1380 6.283}
{0 CHEMBL576937,1 1.626,2 14.079,3 1.826,4 3.333,5 140.867,6 7.259,7 0.381,8 4.386,9 4.518,10 3.933,11 3.816,12 5.443,13 3.819,14 4.973,15 5.169,16 4.306,17 4.218,18 6.028,19 4.198,20 5.215,21 5.441,22 4.378,23 4.383,24 6.185,25 4.34,26 5.292,27 5.528,28 4.38,29 4.419,30 6.327,31 4.368,32 5.255,33 5.476,34 4.35,35 4.443,36 6.262,37 4.377,38 5.262,39 5.5,40 4.353,41 4.452,42 6.194,43 4.376,44 5.236,45 5.463,46 4.348,47 4.444,48 6.201,49 4.367,50 5.271,51 5.51,52 4.288,53 4.454,54 6.239,55 4.349,56 0.101,57 1.119,58 15.81,59 5.83,60 10.14,61 8.429,62 0.77,63 1.745,64 32.133,65 9.438,66 52.548,67 14.342,68 0.69,69 2.095,70 42.004,71 11.617,72 54.808,73 18.418,74 0.945,75 2.185,76 46.39,77 12.396,78 88.533,79 19.239,80 0.752,81 2.165,82 43.589,83 12.983,84 82.221,85 19.827,86 0.737,87 2.222,88 43.76,89 12.997,90 58.534,91 20.47,92 0.716,93 2.172,94 42.065,95 12.895,96 56.78,97 20.23,98 0.77,99 2.145,100 44.143,101 14.941,102 72.997,103 22.217,104 36,105 59,106 0.253,107 0.589,108 0.788,109 0.851,110 0.851,111 0.851,112 3.668,113 0.933,114 -3.9,115 -3.86,116 -3.66,119 36.1,120 2,121 2,124 1,125 6,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 12,178 2,179 1,180 3,183 5,186 2,187 7,192 2,195 2,198 6,199 15,204 4,207 3,211 2,212 9,217 2,220 3,223 3,224 12,227 2,229 1,232 6,236 5,237 6,245 7,249 6,250 5,253 4,255 1,258 7,263 6,266 1,271 4,275 3080,276 25.98,277 25.98,278 25.98,279 25.98,280 25.98,281 23.961,282 36.386,283 15.26,284 26.847,285 20.638,286 20.638,287 20.638,288 20.638,289 20.638,290 17.301,291 47.942,292 7.096,293 21.871,294 4.544,295 2.383,296 1.104,297 0.698,298 0.698,299 0.698,300 4.373,306 1151,307 3.937,310 91.76,311 460.368,314 164.677,318 2.043,319 40.105,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 84,331 535,332 4.694,333 3.761,334 6.904,335 4.239,336 3.291,337 4.638,338 2.208,339 11.622,340 3.121,341 4.185,342 3.545,343 6.338,344 3.842,345 2.895,346 3.796,347 1.656,348 9.632,349 2.763,350 4.022,351 3.386,352 6.109,353 3.757,354 2.792,355 3.373,356 0.86,357 8.944,358 2.672,359 3.915,360 3.076,361 6.012,362 3.653,363 2.728,364 3.164,365 0.8,366 8.5,367 2.511,368 3.823,369 2.847,370 5.599,371 3.5,372 2.541,373 3.091,374 0.655,375 7.371,376 2.428,377 3.516,378 2.688,379 5.47,380 3.328,381 2.377,382 2.705,383 0.247,384 7.249,385 2.248,386 3.453,387 2.437,388 5.064,389 3.057,390 2.078,391 2.572,392 0.13,393 5.951,394 2.024,395 3.208,396 2.395,397 4.821,398 2.993,399 2.058,400 2.283,402 5.493,403 1.911,404 2.962,405 2.125,406 4.628,407 2.528,408 1.585,409 2.162,411 4.488,412 1.484,413 2.779,414 1.602,415 4.404,416 2.447,417 1.497,418 1.791,420 4.249,421 1.417,422 2.624,423 1.536,424 4.206,425 2.295,426 1.366,427 1.656,428 3.606,429 1.259,430 2.5,431 1.51,432 3.94,433 2.057,434 1.147,435 1.5,436 2.867,437 1.035,438 2.424,439 1.506,440 3.658,441 2.03,442 1.081,443 1.392,445 2.603,446 1.021,447 2.202,448 1.461,449 3.461,450 2,451 1.006,452 1.185,454 2.275,455 1,456 2.121,457 1.111,458 3.414,459 1.984,460 1,461 1.076,463 2.275,464 0.983,465 17.533,466 0.461,467 0.883,468 0.023,469 44.75,470 1.178,471 18,472 0.474,473 26.75,474 0.704,475 39.109,476 1.029,477 43.067,478 0.598,479 38.807,480 1.021,481 8.712,482 0.229,483 9.749,484 0.257,485 0.124,487 0.354,493 0.805,494 1.669,495 0.79,496 1.336,497 0.586,498 1.094,499 0.881,500 1.107,501 0.874,502 0.936,503 0.539,504 0.905,505 1.065,506 1.195,507 0.948,508 0.977,509 0.811,510 0.937,511 1.22,512 0.92,513 1.062,514 0.867,515 1.342,516 0.915,517 1.093,518 1.126,519 1.059,520 1.019,521 1.263,522 1.03,523 0.783,524 1.065,525 0.988,526 1.005,527 0.686,528 1.017,529 0.704,530 1.155,531 1.007,532 1.11,533 0.494,534 1.101,535 0.568,536 0.944,537 0.998,538 1.152,539 0.494,540 1.153,541 7.5,542 0.405,543 4.667,544 2.222,545 1.876,546 1.643,547 1.102,548 0.661,549 0.458,550 0.407,551 21931,552 59128,553 2.097,554 47.2,556 21,558 1,559 2,561 6,562 4,564 1.793,565 1.966,566 3.705,567 0.227,573 117.049,574 1.626,575 3.787,576 5.066,577 5.472,578 5.472,579 5.472,580 3.196,581 5.037,582 5.207,583 3.905,584 2744.98,585 9.213,586 45170.6,591 444.235,592 1.402,593 5.18,594 0.179,595 0.009,596 0.079,597 0.035,598 0.03,599 0.027,600 0.018,601 0.011,602 0.008,603 0.008,604 0.405,605 0.33,606 0.63,607 1.246,608 209.971,609 -0.02,610 -0.339,611 0.078,612 -0.17,613 -0.015,614 -0.049,615 0.147,616 0.051,617 0.084,618 0.082,619 0.144,620 0.067,621 -0.112,622 -0.115,623 0.019,624 0.018,625 -0.024,626 0.041,627 -0.163,628 0.142,629 -0.072,630 0.089,631 -0.142,632 0.036,633 -0.152,634 -0.051,635 -0.102,636 0.005,637 -0.177,638 -0.035,639 -0.026,640 0.031,641 -0.047,642 0.004,643 -0.056,644 -0.02,645 0.04,646 -0.041,647 -0.077,648 -0.078,649 0.031,650 -0.094,651 0.139,652 0.119,653 -0.069,654 -0.104,655 0.119,656 -0.124,657 1.966,658 4.954,659 0.711,660 52.064,661 1.008,662 1.142,663 2.669,664 7.126,665 0.636,666 3.761,667 4.094,668 4.394,669 4.682,670 4.956,671 5.153,672 5.403,673 5.602,674 5.781,675 5.964,676 8.026,677 0.609,678 522.68,679 3.761,680 5.313,681 6.176,682 7.064,683 7.948,684 8.847,685 9.742,686 10.649,687 11.553,688 12.465,689 11.1,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 72,733 18,734 1,735 42,737 76,738 26,739 11,740 2,741 4,746 5,747 6,751 1,752 2,755 4,758 4,761 13,762 13,766 2,771 2,775 2,781 34,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 3,848 38,854 8,855 2,856 2,858 2,859 2,870 5.6,873 2,874 1,875 1,877 19.333,878 13.7,879 8.444,880 4.576,881 3.167,882 1.367,883 0.968,884 8.314,885 11.794,886 3.97,887 4.53,888 5.11,889 5.714,890 6.283,891 6.747,892 7.28,893 7.763,894 8.139,895 8.568,896 0.9,897 63,898 14.102,900 5.994,901 7.737,902 27.061,904 22.283,905 2.237,906 85,910 376.675,911 121.601,912 94.281,914 72.29,917 121.601,918 448.965,919 94.281,920 28.533,921 59.336,922 37.905,923 125.01,924 35.791,925 13.366,926 364.904,928 376.675,929 215.881,930 72.29,933 261.292,934 179.001,935 11,937 89.525,938 73.794,939 50.234,941 376.675,942 166.57,943 121.601,946 376.675,947 46.115,948 83.511,949 36.022,950 122.524,951 376.675,952 166.57,953 121.601,955 0.578,956 0.341,957 0.183,958 0.098,959 28,960 13,961 0.079,962 6,963 1,964 1.074,965 4.708,966 384.252,967 0.074,968 27,969 191.421,974 26.663,975 11.848,976 5.903,977 1.665,978 164.794,979 9.345,980 14.713,984 2.947,985 1.98,986 36.022,987 664.846,988 52,993 23.846,997 -0.545,999 72.61,1000 82.222,1001 0.263,1002 0.614,1003 0.821,1004 0.887,1005 0.887,1006 0.887,1007 5.231,1008 2.058,1009 6.163,1010 5.951,1011 4.779,1012 5.218,1013 2.857,1014 6.991,1015 4.67,1016 6.415,1017 1.585,1018 7.731,1019 5.493,1020 4.369,1021 5.056,1022 2.2,1023 7.921,1024 4.217,1025 7.719,1026 1.497,1027 9.399,1028 4.488,1029 6.389,1030 7.38,1031 3.824,1032 11.036,1033 6.172,1034 9.058,1035 1.366,1036 11.124,1037 4.249,1038 6.804,1039 8.095,1040 3.876,1041 12.808,1042 6.539,1043 10.433,1044 1.147,1045 12.889,1046 3.606,1047 8.282,1048 9.916,1049 5.122,1050 15.448,1051 7.962,1052 11.833,1053 1.081,1054 14.68,1055 2.867,1056 9.077,1057 11.047,1058 5.498,1059 17.58,1060 8.705,1061 13.253,1062 1.006,1063 16.491,1064 2.603,1065 10.343,1066 12.679,1067 6.553,1068 20.067,1069 9.919,1070 3.291,1071 1,1072 18.318,1073 2.275,1074 11.321,1075 14.017,1076 7.101,1077 22.362,1078 10.845,1079 2.895,1080 11.622,1081 20.158,1082 2.275,1083 12.505,1084 15.577,1085 8.048,1086 24.804,1087 11.978,1088 2.792,1089 9.632,1090 22.008,1091 4.638,1092 13.574,1093 17.015,1094 8.696,1095 27.175,1096 12.994,1097 2.728,1098 8.944,1099 23.867,1100 3.796,1101 14.732,1102 18.55,1103 9.58,1104 29.608,1105 14.101,1106 2.541,1107 8.5,1108 25.733,1109 3.373,1110 15.847,1111 20.035,1112 10.287,1113 32.016,1114 15.163,1115 2.377,1116 7.371,1117 27.606,1118 3.164,1119 17.002,1120 21.564,1121 11.134,1122 34.451,1123 16.267,1124 2.078,1125 7.249,1126 29.485,1127 3.091,1128 18.142,1129 23.073,1130 11.875,1131 36.878,1132 17.354,1133 21023,1134 34651,1135 28.145,1136 45.762,1137 63.381,1138 65.376,1139 65.591,1140 62.664,1141 62.673,1142 76.985,1143 13.112,1144 182.031,1145 59.321,1146 5.694,1147 5.761,1148 6.676,1149 5.344,1150 5.291,1151 7.638,1152 3.912,1153 19.18,1154 5.121,1155 19.71,1156 1.509,1157 1.557,1158 1.562,1159 1.492,1160 1.492,1161 1.833,1162 0.312,1163 4.334,1164 1.412,1165 4.141,1166 4.193,1167 4.117,1168 3.983,1169 7.434,1170 4.009,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.43,1176 3.811,1177 3.824,1178 3.878,1179 3.732,1180 3.648,1181 5.135,1182 3.657,1183 3.75,1184 3.804,1185 3.647,1186 3.544,1187 4.752,1188 3.558,1189 3.614,1190 3.686,1191 3.512,1192 3.375,1193 4.639,1194 3.39,1195 3.432,1196 3.465,1197 3.346,1198 3.138,1199 4.522,1200 3.183,1201 3.298,1202 3.372,1203 3.183,1204 3.093,1205 4.477,1206 3.09,1207 3.274,1208 3.353,1209 3.082,1210 3.065,1211 4.22,1212 3.076,1213 0.112,1214 0.09,1215 0.164,1216 0.101,1217 0.078,1218 4.694,1219 0.11,1220 3.761,1221 0.053,1222 6.904,1223 0.277,1224 4.239,1225 0.074,1226 3.291,1227 4.638,1228 2.208,1229 11.622,1230 3.121,1231 1.956,1232 1.924,1233 2.05,1234 2.105,1235 1.409,1236 2.086,1237 1.848,1238 1.798,1239 2.014,1240 2.025,1241 1.248,1242 2.023,1243 1.789,1244 1.739,1245 1.958,1246 1.976,1247 1.109,1248 1.973,1249 1.626,1250 1.581,1251 1.844,1252 1.847,1253 0.989,1254 1.837,1255 1.552,1256 1.474,1257 1.749,1258 1.779,1259 0.922,1260 1.779,1261 1.344,1262 1.293,1263 1.628,1264 1.675,1265 0.868,1266 1.636,1267 1.294,1268 1.21,1269 1.601,1270 1.532,1271 0.825,1272 1.563,1273 1.211,1274 1.149,1275 1.513,1276 1.507,1277 0.632,1278 1.503,1279 4.443,1281 5.771,1282 2.398,1283 7.298,1284 4.727,1285 8.914,1286 6.862,1287 10.579,1289 5.338,1295 5.357,1296 5.544,1297 10.655,1299 0.2,1300 3.956,1305 43.879,1306 117.049,1307 272.633,1308 364.751,1309 393.97,1310 393.97,1311 393.97,1312 70.981,1313 8.627,1314 126.74,1315 126.74,1316 29,1317 12.981,1318 4.248,1319 3.459,1320 58.813,1321 177,1322 232,1323 0.159,1324 267.197,1325 463.26,1326 643.721,1327 68102,1329 26.648,1330 0.701,1331 0.579,1332 26.648,1333 22.015,1334 18.461,1335 0.44,1336 0.311,1337 12.797,1338 17.422,1339 12.513,1340 10.332,1341 18.461,1342 13.064,1343 16.467,1344 0.279,1345 0.162,1346 16.467,1347 9.575,1348 14.161,1349 0.177,1350 0.087,1351 14.161,1352 6.956,1353 11.915,1354 0.111,1355 0.047,1356 11.915,1357 5.02,1358 9.585,1359 0.068,1360 0.025,1361 9.585,1362 3.49,1363 0.249,1364 117.765,1365 0.188,1366 34.289,1367 0.441,1368 202,1369 625.479,1370 230.694,1371 586.475,1372 804.78,1373 552,1374 240,1375 598.741,1376 269.035,1377 595.868,1378 880.32,1379 560,1380 6.142}
{0 CHEMBL576979,1 1.868,2 11.281,3 2.032,4 4.127,5 108.042,6 8.605,7 0.444,8 4.112,9 4.232,10 3.787,11 3.549,12 5.278,13 3.595,14 4.709,15 4.876,16 4.263,17 3.965,18 6.254,19 4.004,20 4.894,21 5.106,22 4.14,23 4.044,24 6.067,25 4.031,26 4.836,27 5.055,28 4.189,29 4.022,30 6.099,31 4.023,32 4.814,33 5.002,34 4.26,35 4.064,36 6.144,37 4.079,38 4.868,39 5.06,40 4.197,41 4.083,42 6.05,43 4.084,44 4.902,45 5.121,46 4.154,47 4.051,48 6.14,49 4.021,50 4.862,51 5.086,52 4.062,53 3.982,54 6.076,55 3.935,56 0.271,57 1.05,58 8.25,59 4.221,60 29.648,61 4.918,62 1.191,63 1.952,64 20.131,65 7.127,66 158.504,67 8.639,68 1.189,69 1.669,70 27.767,71 8.213,72 100.194,73 10.941,74 0.961,75 1.708,76 25.479,77 7.842,78 89.193,79 10.832,80 0.863,81 1.907,82 22.871,83 8.361,84 80.83,85 10.704,86 0.877,87 1.858,88 23.738,89 8.436,90 79.072,91 10.446,92 1.13,93 1.813,94 27.093,95 8.657,96 75.563,97 11.926,98 0.845,99 1.863,100 27.1,101 11.062,102 87.555,103 13.953,104 35,105 54,106 0.31,107 0.696,108 0.84,109 0.865,110 0.865,111 0.865,112 3.503,113 0.84,114 -4.39,115 -4.32,116 -4.07,119 38.5,121 1,124 1,125 3,127 2,132 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 4,174 3,175 9,178 2,179 1,180 2,183 4,186 2,187 4,192 2,195 2,198 5,199 9,204 3,207 2,211 1,212 8,217 2,220 2,224 10,227 2,229 1,232 3,236 3,237 3,245 2,249 2,250 2,253 4,255 1,258 2,263 2,266 1,275 1804,276 21.315,277 21.315,278 21.315,279 21.315,280 21.315,281 19.402,282 27.014,283 12.128,284 22.107,285 17.767,286 17.767,287 17.767,288 17.767,289 17.767,290 14.694,291 36.968,292 5.778,293 19.136,294 3.832,295 1.509,296 0.644,297 0.491,298 0.491,299 0.491,300 4.205,304 1,305 1,306 794,307 4.123,310 210.709,311 264.469,314 131.525,318 1.764,319 52.537,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 74,331 361,332 4.689,333 4.269,334 6.915,335 4.257,336 3.32,337 4.63,338 3.02,339 11.671,340 3.124,341 4.203,342 3.54,343 6.517,344 3.985,345 3.129,346 3.793,347 1.656,348 10.352,349 2.806,350 4.148,351 3.473,352 6.311,353 3.856,354 2.939,355 3.394,356 0.86,357 9.637,358 2.731,359 4.011,360 3.125,361 6.101,362 3.727,363 2.771,364 3.182,365 0.8,366 8.911,367 2.474,368 3.827,369 2.787,370 5.625,371 3.481,372 2.52,373 3.064,374 0.247,375 7.443,376 2.4,377 3.557,378 2.602,379 5.464,380 3.223,381 2.302,382 2.751,384 7.303,385 2.091,386 3.445,387 2.409,388 5.038,389 3.03,390 2.046,391 2.678,393 5.689,394 1.999,395 2.962,396 2.025,397 4.782,398 2.711,399 1.771,400 2.165,402 5.327,403 1.654,404 2.884,405 1.672,406 4.651,407 2.442,408 1.493,409 1.941,411 4.486,412 1.412,413 2.685,414 1.534,415 4.42,416 2.389,417 1.441,418 1.731,420 4.264,421 1.357,422 2.5,423 1.333,424 4.14,425 2.075,426 1.15,427 1.5,428 3.268,429 1.06,430 2.468,431 1.101,432 3.634,433 2,434 1,435 1.46,436 2.275,437 1,438 2.075,439 1.043,440 3.414,441 1.719,442 0.818,443 0.995,445 2.124,446 0.732,447 1.615,448 1,449 3.259,450 1.495,451 0.575,452 0.596,454 1.504,455 0.524,456 1.52,457 0.785,458 3.127,459 1.33,460 0.403,461 0.432,463 0.63,464 0.372,465 14.324,466 0.448,467 1.041,468 0.033,469 39.5,470 1.234,471 16.5,472 0.516,473 23,474 0.719,475 27.989,476 0.875,477 36.076,478 0.694,479 34.241,480 1.07,481 7.902,482 0.247,483 7.401,484 0.231,485 0.118,486 0.035,487 0.37,490 3,493 0.659,494 1.208,495 0.622,496 1.191,497 0.568,498 0.963,499 0.601,500 0.816,501 0.722,502 0.917,503 0.383,504 0.877,505 0.896,506 0.829,507 1.051,508 0.923,509 0.794,510 1.017,511 0.626,512 0.721,513 0.788,514 0.837,515 0.605,516 0.859,517 0.715,518 1.018,519 0.758,520 1.041,521 0.697,522 0.948,523 0.892,524 1.069,525 1.044,526 1.143,527 0.772,528 1.139,529 0.615,530 0.746,531 0.969,532 1.022,533 0.563,534 1.109,535 0.649,536 1.158,537 0.807,538 1.38,539 0.71,540 1.248,541 8.5,542 0.281,543 3.556,544 1.882,545 1.773,546 1.584,547 0.918,548 0.702,549 0.529,550 0.357,551 13571,552 47317,553 2.108,554 38.5,556 15,558 1,559 2,562 2,564 1.751,565 1.949,566 3.396,567 0.332,569 1,573 97.139,574 1.868,575 4.191,576 5.056,577 5.21,578 5.21,579 5.21,580 2.871,581 4.601,582 4.964,583 3.623,584 1797.11,585 8.721,586 25588.7,588 1,591 296.423,592 1.617,593 4.916,594 0.236,595 0.012,596 0.066,597 0.039,598 0.035,599 0.029,600 0.018,601 0.015,602 0.013,603 0.01,604 0.472,605 0.17,606 0.88,607 1.231,608 165.976,609 -0.061,610 -0.192,611 0.044,612 -0.116,613 -0.069,614 -0.021,615 0.26,616 0.204,617 0.111,618 0.076,619 0.368,620 0.042,621 -0.088,622 0.046,623 -0.141,624 0.036,625 -0.082,626 -0.05,627 0.046,628 0.098,629 0.096,630 0.103,631 0.026,632 0.114,633 0.032,634 -0.065,635 0.092,636 -0.019,637 0.043,638 0.04,639 -0.156,640 -0.128,641 -0.203,642 -0.156,643 -0.101,644 -0.18,645 0.128,646 0.133,647 -0.065,648 -0.057,649 0.057,650 -0.124,651 0.138,652 -0.239,653 0.153,654 -0.301,655 0.085,656 -0.146,657 5.683,658 5.101,659 0.688,660 35.047,661 1.038,662 1.159,663 3.158,664 9.97,665 0.651,666 3.611,667 4.007,668 4.277,669 4.625,670 4.883,671 5.075,672 5.323,673 5.537,674 5.7,675 5.852,676 6.766,677 0.653,678 447.47,679 3.611,680 5.198,681 6.066,682 6.986,683 7.877,684 8.802,685 9.707,686 10.635,687 11.549,688 12.479,689 13.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 52,733 17,734 1,735 36,737 56,738 20,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 3,757 1,758 3,761 12,762 8,766 1,771 1,775 1,778 1,779 3,781 20,782 11,783 2,784 12,790 7,794 0.6,795 2,801 1,803 1,806 1,808 1,811 3,812 3,815 1,839 1,840 3,844 1,846 3,848 32,854 4,855 2,856 1,858 2,859 1,860 1,869 3,870 3.8,873 1,874 1,877 16.417,878 9.595,879 6.708,880 3.017,881 3.124,882 1.378,883 1.011,884 5.284,885 11.399,886 3.829,887 4.451,888 5.028,889 5.678,890 6.255,891 6.714,892 7.253,893 7.733,894 8.095,895 8.503,896 1,897 48,898 12.317,900 5.89,901 8.19,902 21.942,904 18.623,905 2.69,906 86.083,910 211.88,911 93.609,912 91.156,914 36.145,915 44.88,917 93.609,918 248.025,919 136.037,920 8.396,921 47.36,922 37.905,923 99.865,924 69.672,925 6.604,926 200.109,927 7.76,928 211.88,929 184.765,930 81.025,933 190.666,934 93.567,935 11,937 67.659,938 64.545,939 50.234,941 256.76,942 127.301,943 93.609,946 219.639,947 30.501,948 60.25,949 36.022,950 131.259,951 211.88,952 172.182,953 93.609,955 0.598,956 0.329,957 0.179,958 0.1,959 29,960 13,961 0.071,962 4,963 3,964 1.227,965 4.218,966 313.401,967 0.273,968 21,969 151.245,974 21.136,975 7.999,976 4.192,977 0.599,978 170.405,979 8.163,980 13.083,984 2.009,985 0.857,986 36.022,987 477.67,988 45,993 11.495,997 -0.361,999 53.974,1000 60.248,1001 0.328,1002 0.735,1003 0.887,1004 0.914,1005 0.914,1006 0.914,1007 5.124,1008 1.771,1009 6.107,1010 5.689,1011 4.691,1012 5.139,1013 3.087,1014 6.982,1015 4.552,1016 6.353,1017 1.493,1018 7.706,1019 5.327,1020 4.511,1021 5.094,1022 3.192,1023 8.089,1024 4.236,1025 7.687,1026 1.441,1027 9.402,1028 4.486,1029 6.392,1030 7.351,1031 4.666,1032 11.128,1033 6.101,1034 9.052,1035 1.15,1036 11.155,1037 4.264,1038 6.976,1039 8.106,1040 5.505,1041 13,1042 6.553,1043 10.448,1044 1,1045 12.943,1046 3.268,1047 8.386,1048 9.906,1049 6.696,1050 15.613,1051 7.932,1052 11.863,1053 0.818,1054 14.755,1055 2.275,1056 9.292,1057 11.047,1058 7.734,1059 17.792,1060 8.727,1061 13.295,1062 0.575,1063 16.584,1064 2.124,1065 10.536,1066 12.672,1067 8.859,1068 20.27,1069 9.923,1070 3.32,1071 0.403,1072 18.427,1073 1.504,1074 11.582,1075 14.008,1076 9.948,1077 22.583,1078 10.878,1079 3.129,1080 11.671,1081 20.28,1082 0.63,1083 12.767,1084 15.565,1085 11.057,1086 25.018,1087 12.006,1088 2.939,1089 10.352,1090 22.142,1091 4.63,1092 13.877,1093 17,1094 12.158,1095 27.392,1096 13.038,1097 2.771,1098 9.637,1099 24.011,1100 3.793,1101 15.044,1102 18.533,1103 13.264,1104 29.818,1105 14.145,1106 2.52,1107 8.911,1108 25.886,1109 3.394,1110 16.184,1111 20.016,1112 14.368,1113 32.222,1114 15.216,1115 2.302,1116 7.443,1117 27.767,1118 3.182,1119 17.348,1120 21.542,1121 15.474,1122 34.65,1123 16.32,1124 2.046,1125 7.303,1126 29.652,1127 3.064,1128 18.504,1129 23.049,1130 16.579,1131 37.071,1132 17.412,1133 12873,1134 24224,1135 23.868,1136 33.853,1137 55.835,1138 56.554,1139 56.796,1140 55.522,1141 55.359,1142 68.624,1143 13.166,1144 169.771,1145 51.475,1146 5.689,1147 6.269,1148 6.466,1149 5.365,1150 5.32,1151 7.63,1152 4.53,1153 19.28,1154 5.124,1155 17.198,1156 1.551,1157 1.571,1158 1.578,1159 1.542,1160 1.538,1161 1.906,1162 0.366,1163 4.716,1164 1.43,1165 4.138,1166 4.188,1167 4.116,1168 3.979,1169 8.513,1170 4.005,1171 3.907,1172 3.948,1173 3.843,1174 3.804,1175 7.999,1176 3.81,1177 3.883,1178 3.927,1179 3.808,1180 3.707,1181 7.999,1182 3.724,1183 3.576,1184 3.639,1185 3.544,1186 3.284,1187 7.431,1188 3.332,1189 3.51,1190 3.567,1191 3.453,1192 3.222,1193 5.133,1194 3.265,1195 3.209,1196 3.283,1197 3.168,1198 2.987,1199 4.751,1200 3.01,1201 3.041,1202 3.125,1203 2.921,1204 2.811,1205 4.68,1206 2.8,1207 2.972,1208 3.059,1209 2.775,1210 2.735,1211 4.474,1212 2.729,1213 0.13,1214 0.119,1215 0.192,1216 0.118,1217 0.092,1218 4.689,1219 0.129,1220 4.269,1221 0.084,1222 6.915,1223 0.324,1224 4.257,1225 0.087,1226 3.32,1227 4.63,1228 3.02,1229 11.671,1230 3.124,1231 1.948,1232 1.919,1233 2.025,1234 2.078,1235 1.194,1236 2.058,1237 1.778,1238 1.742,1239 1.86,1240 1.94,1241 1.142,1242 1.92,1243 1.555,1244 1.49,1245 1.76,1246 1.851,1247 1.083,1248 1.808,1249 1.51,1250 1.454,1251 1.718,1252 1.751,1253 0.96,1254 1.732,1255 1.453,1256 1.395,1257 1.696,1258 1.686,1259 0.773,1260 1.707,1261 1.418,1262 1.346,1263 1.61,1264 1.654,1265 0.688,1266 1.653,1267 1.114,1268 1.052,1269 1.285,1270 1.41,1271 0.442,1272 1.356,1273 0.965,1274 0.891,1275 1.22,1276 1.315,1277 0.321,1278 1.275,1279 4.29,1281 5.666,1282 3.434,1283 7.217,1284 5.778,1285 8.85,1286 7.854,1287 10.533,1289 1.508,1291 39.304,1295 0.797,1296 5.114,1297 5.661,1299 0.213,1300 2.072,1301 -4.433,1305 33.944,1306 97.139,1307 217.953,1308 262.913,1309 270.913,1310 270.913,1311 270.913,1312 63.236,1313 8.275,1314 97.2,1315 97.2,1316 27,1317 12.984,1318 4.17,1319 3.322,1320 45.463,1321 127,1322 162,1323 0.175,1324 201.378,1325 351.73,1326 483.123,1327 43131,1328 5.8,1329 22.457,1330 0.702,1331 0.533,1332 19.957,1333 17.056,1334 15.303,1335 0.425,1336 0.28,1337 9.819,1338 14.291,1339 9.712,1340 7.897,1341 14.157,1342 10.083,1343 15.194,1344 0.281,1345 0.145,1346 12.837,1347 7.804,1348 11.934,1349 0.168,1350 0.079,1351 11.584,1352 5.606,1353 10.42,1354 0.103,1355 0.041,1356 9.887,1357 4.129,1358 8.504,1359 0.065,1360 0.021,1361 7.938,1362 2.687,1363 0.269,1364 98.902,1365 0.205,1366 29.497,1367 0.494,1368 180,1369 744.696,1370 217.539,1371 626.718,1372 830.62,1373 584,1374 215,1375 598.461,1376 246.405,1377 576.692,1378 869.76,1379 543,1380 5.334}
{0 CHEMBL576982,1 1.664,2 19.05,3 5.719,4 32.712,5 154.689,6 7.788,7 0.556,8 4.397,9 4.508,10 4.039,11 3.919,12 5.471,13 3.899,14 4.952,15 5.118,16 4.449,17 4.327,18 5.997,19 4.293,20 5.17,21 5.359,22 4.416,23 4.461,24 6.168,25 4.373,26 5.269,27 5.512,28 4.326,29 4.417,30 6.213,31 4.304,32 5.153,33 5.405,34 4.221,35 4.254,36 6.148,37 4.156,38 4.877,39 5.083,40 4.138,41 4.153,42 5.874,43 4.067,44 4.826,45 5.007,46 4.166,47 4.191,48 5.877,49 4.113,50 4.957,51 5.158,52 4.128,53 4.199,54 6.038,55 4.11,56 0.11,57 1.104,58 14.964,59 6.645,60 11.579,61 8.276,62 0.499,63 1.806,64 31.117,65 11.057,66 39.025,67 14.213,68 0.656,69 2.107,70 40.132,71 14.426,72 49.537,73 18.301,74 0.67,75 2.156,76 49.446,77 16.656,78 67.629,79 22.163,80 0.825,81 1.921,82 44.02,83 13.339,84 75.5,85 18.092,86 0.662,87 1.571,88 34.515,89 10.925,90 47.153,91 13.458,92 0.249,93 1.576,94 29.949,95 10.999,96 27.839,97 13.99,98 0.594,99 1.672,100 32.686,101 11.102,102 71.058,103 14.352,104 18,105 65,106 0.256,107 0.601,108 0.733,109 0.798,110 0.81,111 0.81,112 3.717,113 0.942,114 -4.43,115 -4.36,116 -4.11,119 40.3,120 3,123 1,125 6,142 8,143 1,144 2,146 1,147 1,151 1,152 3,159 1,162 1,166 1,172 8,174 1,175 9,178 3,179 1,180 3,183 10,186 2,187 10,190 1,192 2,195 7,198 1,199 13,202 1,204 5,207 2,211 2,212 7,215 1,217 5,220 3,223 2,224 5,227 1,229 2,232 8,237 8,240 1,242 3,245 8,249 2,250 6,253 1,255 1,258 7,262 2,263 4,266 1,268 1,271 8,275 3720,276 26.969,277 26.969,278 26.969,279 26.969,280 26.969,281 24.093,282 30.283,283 15.772,284 27.843,285 22.304,286 22.304,287 22.304,288 22.304,289 22.304,290 17.757,291 41.564,292 7.614,293 23.738,294 4.505,295 2.264,296 1.404,297 0.983,298 0.907,299 0.907,300 4.43,305 1,306 1683,307 4.416,310 309.188,311 406.175,313 144.755,314 168.529,317 227.117,318 3.503,319 31.443,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 87,331 762,332 4.749,333 3.582,334 7.118,335 4.326,336 3.327,337 4.85,338 1.656,339 11.699,340 3.322,341 4.471,342 3.527,343 6.794,344 4.178,345 3.265,346 3.918,347 0.86,348 11.258,349 2.995,350 4.222,351 3.275,352 6.148,353 3.81,354 2.834,355 3.89,356 0.86,357 9.096,358 2.756,359 3.969,360 2.94,361 5.635,362 3.606,363 2.65,364 3.538,365 0.8,366 7.717,367 2.525,368 3.848,369 2.857,370 5.572,371 3.461,372 2.539,373 3.148,374 0.247,375 7.48,376 2.355,377 3.689,378 2.721,379 5.355,380 3.411,381 2.473,382 3.027,384 7.011,385 2.3,386 3.521,387 2.523,388 5.341,389 3.299,390 2.351,391 2.746,393 6.955,394 2.213,395 3.427,396 2.413,397 5.195,398 2.983,399 2.019,400 2.591,402 6.228,403 1.946,404 3.294,405 2.175,406 4.842,407 2.827,408 1.873,409 2.524,411 5.276,412 1.758,413 3.217,414 2.037,415 4.749,416 2.601,417 1.725,418 2.495,420 5.234,421 1.492,422 2.718,423 1.73,424 4.349,425 2.426,426 1.545,427 1.812,428 3.93,429 1.354,430 2.653,431 1.492,432 4.226,433 2.307,434 1.332,435 1.688,436 3.584,437 1.294,438 2.574,439 1.484,440 3.804,441 2.173,442 1.213,443 1.578,445 3.233,446 1.153,447 2.5,448 1.275,449 3.679,450 2.006,451 1.104,452 1.5,454 2.675,455 1,456 2.459,457 1.256,458 3.414,459 2,460 1,461 1.443,463 2.275,464 0.986,465 19.067,466 0.477,467 1.116,468 0.028,469 50.5,470 1.263,471 23,472 0.575,473 27.5,474 0.688,475 38.334,476 0.958,477 43.333,478 0.602,479 39.589,480 0.99,481 9.588,482 0.24,483 9.726,484 0.243,485 0.096,486 0.026,487 0.304,493 0.806,494 1.367,495 0.737,496 1.062,497 0.66,498 0.958,499 1.001,500 1.047,501 0.791,502 0.894,503 0.622,504 0.833,505 1.149,506 1.072,507 1.084,508 1.029,509 1.02,510 1.085,511 0.946,512 1.021,513 0.905,514 0.984,515 0.779,516 0.957,517 1.099,518 0.891,519 0.906,520 0.791,521 1.267,522 0.83,523 1.21,524 0.838,525 1.238,526 0.914,527 1.152,528 0.855,529 0.784,530 1.243,531 1.132,532 1.276,533 0.89,534 1.1,535 1.278,536 0.95,537 1.081,538 0.96,539 2.085,540 1.072,541 9.5,542 0.176,543 4,544 2.736,545 1.772,546 1.424,547 0.749,548 0.483,549 0.428,550 0.45,551 34297,552 86492,553 2.144,554 44.4,555 9,556 20,557 1,559 2,564 1.791,565 2.025,566 4.161,567 0.174,573 119.843,574 1.664,575 3.906,576 4.766,577 5.187,578 5.263,579 5.263,580 3.659,581 5.003,582 5.285,583 4.401,584 3433.1,585 9.282,586 65900.8,591 444.235,592 1.445,593 5.258,594 0.211,595 0.004,596 0.062,597 0.046,598 0.033,599 0.03,600 0.016,601 0.01,602 0.01,603 0.011,604 0.432,605 0.17,606 0.75,607 0.598,608 233.874,609 0.022,610 -0.182,611 0.083,612 -0.046,613 -0.025,614 -0.004,615 0.036,616 0.06,617 0.143,618 0.099,619 0.132,620 0.114,621 -0.105,622 -0.022,623 -0.127,624 -0.035,625 -0.102,626 -0.122,627 0.003,628 -0.087,629 0.089,630 0.004,631 0.11,632 0.051,634 0.073,635 0.1,636 0.142,637 0.015,638 0.134,639 -0.087,640 0.231,641 -0.075,642 0.169,643 -0.087,644 0.114,645 -0.023,646 -0.151,647 -0.085,648 -0.171,649 0.064,650 -0.092,651 -0.169,652 0.083,653 -0.152,654 -0.012,655 -0.265,656 -0.125,657 2.056,658 5.424,659 0.725,660 71.7,661 1.007,662 1.127,663 3.203,664 10.256,665 0.672,666 3.829,667 4.19,668 4.443,669 4.727,670 4.934,671 5.088,672 5.273,673 5.421,674 5.576,675 5.753,676 10.929,677 0.639,678 560.74,679 3.829,680 5.398,681 6.252,682 7.144,683 8.016,684 8.913,685 9.795,686 10.695,687 11.585,688 12.49,689 8.3,692 1,696 2,697 1,699 2,703 3,704 9,705 2,707 1,708 1,709 6,711 25,729 1,731 72,733 26,734 2,735 45,737 77,738 29,739 18,740 5,741 7,746 6,747 9,751 1,752 3,753 1,761 19,762 10,766 1,771 1,775 1,781 32,782 9,783 2,784 11,785 1,787 1,789 1,790 6,794 0.667,795 4,811 3,812 3,814 1,815 1,818 1,836 1,839 1,840 4,842 1,844 3,848 40,854 6,855 2,856 2,859 1,860 1,863 1,870 5.6,873 1,874 1,875 2,877 19.75,878 13.883,879 8.444,880 4.296,881 4.823,882 1.517,883 0.996,884 7.814,885 14.149,886 4.086,887 4.725,888 5.338,889 6.007,890 6.545,891 7.039,892 7.587,893 8.057,894 8.498,895 8.959,896 0.923,897 60,898 14.789,900 6.34,901 7.631,902 28.579,904 23.827,905 2.131,906 85.25,910 353.133,911 191.59,912 76.814,914 56.879,916 31.278,917 160.312,918 410.012,919 76.814,920 26.476,921 56.116,922 84.857,923 72.527,924 39.087,925 26.714,926 372.64,928 353.133,929 237.127,930 56.879,931 31.278,933 353.133,934 45.879,935 11,937 89.759,938 110.986,939 36.382,940 31.278,941 353.133,942 133.693,943 191.59,946 353.133,947 80.257,948 115.744,949 36.022,950 93.261,951 353.133,952 133.693,953 191.59,955 0.592,956 0.331,957 0.175,958 0.093,959 33,960 14,961 0.104,962 8,963 2,964 1.138,965 5.281,966 389.261,967 0.138,968 29,969 197.367,970 1,974 27.208,975 11.488,976 6.358,977 3.14,978 132.407,979 17.548,980 8.767,982 5.32,983 1.634,984 4.435,986 36.022,987 678.416,988 58.5,993 12.424,997 -0.389,999 72.483,1000 81.145,1001 0.27,1002 0.633,1003 0.773,1004 0.841,1005 0.853,1006 0.853,1007 5.348,1008 2.019,1009 6.263,1010 6.955,1011 4.875,1012 5.414,1013 2.274,1014 7.096,1015 4.762,1016 6.573,1017 1.873,1018 7.836,1019 6.228,1020 4.575,1021 5.323,1022 1.305,1023 8.143,1024 4.443,1025 7.899,1026 1.725,1027 9.514,1028 5.276,1029 6.526,1030 7.674,1031 2.627,1032 11.182,1033 6.326,1034 9.261,1035 1.545,1036 11.256,1037 5.234,1038 7.04,1039 8.439,1040 2.354,1041 13.072,1042 6.831,1043 10.658,1044 1.332,1045 13.043,1046 3.93,1047 8.489,1048 10.284,1049 3.315,1050 15.68,1051 8.227,1052 12.078,1053 1.213,1054 14.86,1055 3.584,1056 9.364,1057 11.461,1058 3.414,1059 17.905,1060 9.094,1061 13.518,1062 1.104,1063 16.703,1064 3.233,1065 10.63,1066 13.115,1067 4.177,1068 20.389,1069 10.322,1070 3.327,1071 1,1072 18.564,1073 2.675,1074 11.672,1075 14.495,1076 4.466,1077 22.746,1078 11.353,1079 3.265,1080 11.699,1081 20.44,1082 2.275,1083 12.873,1084 16.08,1085 5.117,1086 25.196,1087 12.528,1088 2.834,1089 11.258,1090 22.33,1091 4.85,1092 13.991,1093 17.56,1094 5.504,1095 27.604,1096 13.635,1097 2.65,1098 9.096,1099 24.229,1100 3.918,1101 15.174,1102 19.125,1103 6.093,1104 30.046,1105 14.799,1106 2.539,1107 7.717,1108 26.138,1109 3.89,1110 16.327,1111 20.652,1112 6.531,1113 32.475,1114 15.941,1115 2.473,1116 7.48,1117 28.053,1118 3.538,1119 17.507,1120 22.215,1121 7.084,1122 34.917,1123 17.108,1124 2.351,1125 7.011,1126 29.974,1127 3.148,1128 18.678,1129 23.766,1130 7.551,1131 37.355,1132 18.27,1133 31501,1134 50293,1135 30.512,1136 48.398,1137 68.998,1138 69.621,1139 68.613,1140 68.062,1141 68.074,1142 88.155,1143 8.846,1144 200.451,1145 64.167,1146 5.749,1147 5.582,1148 6.92,1149 5.494,1150 5.327,1151 7.85,1152 2.912,1153 18.829,1154 5.322,1155 18.507,1156 1.533,1157 1.547,1158 1.525,1159 1.512,1160 1.513,1161 1.959,1162 0.197,1163 4.454,1164 1.426,1165 4.216,1166 4.242,1167 4.429,1168 4.155,1169 7.431,1170 4.129,1171 3.959,1172 3.989,1173 3.921,1174 3.852,1175 5.216,1176 3.849,1177 3.894,1178 3.921,1179 3.852,1180 3.774,1181 5.093,1182 3.79,1183 3.813,1184 3.873,1185 3.703,1186 3.594,1187 4.777,1188 3.609,1189 3.64,1190 3.679,1191 3.586,1192 3.49,1193 4.668,1194 3.503,1195 3.555,1196 3.615,1197 3.462,1198 3.359,1199 4.609,1200 3.372,1201 3.377,1202 3.43,1203 3.337,1204 3.168,1205 4.265,1206 3.17,1207 3.308,1208 3.35,1209 3.213,1210 3.078,1211 4.249,1212 3.085,1213 0.106,1214 0.08,1215 0.158,1216 0.096,1217 0.074,1218 4.749,1219 0.108,1220 3.582,1221 0.037,1222 7.118,1223 0.26,1224 4.326,1225 0.074,1226 3.327,1227 4.85,1228 1.656,1229 11.699,1230 3.322,1231 1.946,1232 1.926,1233 2.022,1234 2.045,1235 1.256,1236 2.04,1237 1.892,1238 1.87,1239 1.991,1240 1.999,1241 1.208,1242 1.997,1243 1.78,1244 1.739,1245 1.982,1246 1.969,1247 1.161,1248 1.964,1249 1.733,1250 1.671,1251 1.943,1252 1.924,1253 1.097,1254 1.947,1255 1.479,1256 1.447,1257 1.655,1258 1.737,1259 0.922,1260 1.69,1261 1.452,1262 1.406,1263 1.574,1264 1.672,1265 0.825,1266 1.658,1267 1.353,1268 1.309,1269 1.513,1270 1.547,1271 0.69,1272 1.569,1273 1.294,1274 1.247,1275 1.483,1276 1.458,1277 0.6,1278 1.444,1279 4.511,1281 5.861,1282 3.434,1283 7.38,1284 5.82,1285 8.976,1286 7.941,1287 10.617,1289 6.058,1295 5.072,1296 5.532,1297 11.425,1300 2.362,1301 -0.187,1305 46.023,1306 119.843,1307 281.202,1308 343.176,1309 373.441,1310 378.95,1311 378.95,1312 62.619,1313 9.326,1314 106.16,1315 134.4,1316 33,1317 13.012,1318 4.755,1319 3.858,1320 57.905,1321 262,1322 262,1323 0.105,1324 280.268,1325 472.23,1326 675.615,1327 197864,1329 27.692,1330 0.692,1331 0.59,1332 28.045,1333 23.585,1334 19.314,1335 0.429,1336 0.314,1337 13.161,1338 17.966,1339 12.717,1340 10.516,1341 19.722,1342 14.136,1343 18.528,1344 0.285,1345 0.182,1346 19.171,1347 11.805,1348 14.836,1349 0.177,1350 0.093,1351 15.608,1352 7.793,1353 12.629,1354 0.113,1355 0.05,1356 13.601,1357 5.554,1358 9.918,1359 0.072,1360 0.027,1361 10.867,1362 3.747,1363 0.175,1364 126.188,1365 0.181,1366 37.309,1367 0.263,1368 220,1369 645.049,1370 271.903,1371 632.891,1372 878.07,1373 596,1374 259,1375 650.803,1376 308.859,1377 666.909,1378 979.48,1379 626,1380 5}
{0 CHEMBL577137,1 1.623,2 14.103,3 1.967,4 3.867,5 143.33,6 7.325,7 0.364,8 4.411,9 4.539,10 3.972,11 3.859,12 5.447,13 3.862,14 5.014,15 5.202,16 4.367,17 4.287,18 6.051,19 4.266,20 5.281,21 5.509,22 4.414,23 4.444,24 6.221,25 4.391,26 5.324,27 5.567,28 4.383,29 4.435,30 6.335,31 4.378,32 5.236,33 5.454,34 4.371,35 4.436,36 6.247,37 4.38,38 5.245,39 5.472,40 4.39,41 4.471,42 6.187,43 4.404,44 5.252,45 5.473,46 4.404,47 4.481,48 6.209,49 4.409,50 5.298,51 5.537,52 4.33,53 4.49,54 6.256,55 4.389,56 0.1,57 1.155,58 15.886,59 6.077,60 10.301,61 8.59,62 0.745,63 1.853,64 32.744,65 10.213,66 51.265,67 15.081,68 0.718,69 2.234,70 44.771,71 12.863,72 57.359,73 19.944,74 0.976,75 2.247,76 48.13,77 12.937,78 90.311,79 19.914,80 0.738,81 2.161,82 42.472,83 12.739,84 79.936,85 19.168,86 0.718,87 2.26,88 42.283,89 12.881,90 57.12,91 19.841,92 0.685,93 2.262,94 42.132,95 13.312,96 54.704,97 20.551,98 0.802,99 2.237,100 45.199,101 15.273,102 75.106,103 22.593,104 27,105 63,106 0.251,107 0.582,108 0.766,109 0.824,110 0.824,111 0.824,112 3.693,113 0.931,114 -4.1,115 -4.05,116 -3.83,119 37,120 1,121 4,124 1,125 5,127 3,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 13,178 2,179 1,180 3,183 5,186 2,187 8,192 2,195 2,198 6,199 15,204 4,207 3,211 2,212 10,217 2,220 4,223 3,224 12,227 2,229 1,232 6,236 5,237 9,245 8,249 6,250 5,253 4,255 1,258 9,263 6,266 1,271 8,275 3275,276 26.875,277 26.875,278 26.875,279 26.875,280 26.875,281 24.857,282 37.464,283 15.658,284 27.698,285 21.655,286 21.655,287 21.655,288 21.655,289 21.655,290 18.318,291 50.065,292 7.328,293 22.868,294 4.567,295 2.433,296 1.243,297 0.87,298 0.87,299 0.87,300 4.409,306 1210,307 4,310 182.399,311 453.673,312 120.53,314 165.788,318 2.018,319 41.244,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 86,331 550,332 4.695,333 3.761,334 6.906,335 4.243,336 3.295,337 4.638,338 2.208,339 11.631,340 3.124,341 4.185,342 3.545,343 6.353,344 3.874,345 2.939,346 3.796,347 1.656,348 9.709,349 2.765,350 4.048,351 3.415,352 6.114,353 3.801,354 2.839,355 3.378,356 0.86,357 8.984,358 2.721,359 3.931,360 3.197,361 6.014,362 3.705,363 2.761,364 3.168,365 0.8,366 8.518,367 2.586,368 3.838,369 2.904,370 5.766,371 3.536,372 2.589,373 3.093,374 0.655,375 8.049,376 2.444,377 3.707,378 2.769,379 5.471,380 3.454,381 2.496,382 2.798,383 0.247,384 7.341,385 2.379,386 3.464,387 2.46,388 5.417,389 3.083,390 2.137,391 2.699,392 0.13,393 6.75,394 2.027,395 3.296,396 2.395,397 4.879,398 3.053,399 2.074,400 2.391,402 5.638,403 2.003,404 2.962,405 2.132,406 4.821,407 2.839,408 1.879,409 2.164,411 5.493,412 1.794,413 2.879,414 2.093,415 4.703,416 2.53,417 1.586,418 1.879,420 4.623,421 1.486,422 2.798,423 1.546,424 4.41,425 2.447,426 1.497,427 1.815,428 4.261,429 1.417,430 2.628,431 1.536,432 4.216,433 2.262,434 1.337,435 1.664,436 3.618,437 1.228,438 2.5,439 1.51,440 3.943,441 2.03,442 1.082,443 1.5,445 2.865,446 1.021,447 2.416,448 1.461,449 3.665,450 2,451 1.007,452 1.38,454 2.275,455 1,456 2.123,457 1.111,458 3.414,459 1.984,460 1,461 1.077,463 2.275,464 0.983,465 18.033,466 0.462,467 0.913,468 0.023,469 45.75,470 1.173,471 18,472 0.462,473 27.75,474 0.712,475 40.744,476 1.045,477 43.767,478 0.6,479 38.985,480 1,481 8.654,482 0.222,483 10.362,484 0.266,485 0.092,487 0.372,493 0.796,494 1.612,495 0.774,496 1.291,497 0.568,498 1.061,499 0.848,500 1.126,501 0.88,502 0.983,503 0.523,504 0.941,505 1.046,506 1.194,507 0.962,508 1.003,509 0.779,510 0.967,511 1.206,512 0.89,513 1.05,514 0.843,515 1.312,516 0.896,517 1.122,518 1.11,519 1.03,520 0.972,521 1.302,522 0.98,523 0.822,524 1.061,525 1.01,526 0.995,527 0.72,528 1.016,529 0.688,530 1.205,531 0.987,532 1.128,533 0.492,534 1.104,535 0.595,536 0.899,537 0.997,538 1.096,539 0.505,540 1.112,541 8,542 0.396,543 4.444,544 2.257,545 1.72,546 1.587,547 1.013,548 0.628,549 0.489,550 0.396,551 24442,552 63345,553 2.155,554 46.6,556 20,558 1,559 2,561 7,562 4,564 1.799,565 2.035,566 3.697,567 0.213,573 118.501,574 1.623,575 3.757,576 4.947,577 5.32,578 5.32,579 5.32,580 3.186,581 4.721,582 5.245,583 3.909,584 2896.46,585 9.29,586 48364.2,591 451.857,592 1.348,593 5.226,594 0.182,595 0.009,596 0.071,597 0.035,598 0.028,599 0.025,600 0.016,601 0.01,602 0.008,603 0.007,604 0.39,605 0.33,606 0.63,607 1.183,608 216.831,609 -0.02,610 -0.301,611 0.082,612 -0.141,613 -0.002,614 -0.031,615 0.151,616 0.038,617 0.063,618 0.043,619 0.143,620 0.032,621 -0.103,622 -0.137,623 0.004,624 -0.011,625 -0.013,626 0.012,627 -0.153,628 0.147,629 -0.054,630 0.099,631 -0.126,632 0.051,633 -0.154,634 -0.038,635 -0.07,636 0.04,637 -0.181,638 0.005,639 -0.047,640 0.057,641 -0.074,642 0.011,643 -0.076,644 -0.027,645 0.052,646 -0.091,647 -0.062,648 -0.098,649 0.029,650 -0.099,651 0.124,652 0.158,653 -0.063,654 -0.064,655 0.111,656 -0.093,657 1.96,658 4.986,659 0.744,660 53.201,661 1.008,662 1.14,663 2.871,664 8.241,665 0.641,666 3.807,667 4.159,668 4.477,669 4.787,670 5.056,671 5.278,672 5.525,673 5.733,674 5.945,675 6.161,676 8.075,677 0.615,678 534.69,679 3.807,680 5.371,681 6.244,682 7.141,683 8.033,684 8.939,685 9.841,686 10.754,687 11.663,688 12.58,689 11,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 73,733 18,734 1,735 44,737 78,738 27,739 11,740 2,741 4,746 6,747 8,751 1,752 1,755 7,758 7,761 13,762 14,766 2,771 2,775 2,781 34,782 11,783 2,784 12,790 8,794 0.667,795 4,801 1,803 1,806 1,811 2,812 4,813 1,815 1,837 1,839 1,840 4,844 2,848 39,854 9,855 2,856 2,858 3,859 2,870 5.5,873 2,874 1,875 1,877 19.167,878 13.533,879 8.528,880 4.715,881 3.103,882 1.347,883 0.989,884 7.604,885 12.053,886 4.007,887 4.572,888 5.151,889 5.753,890 6.313,891 6.781,892 7.314,893 7.805,894 8.2,895 8.642,896 0.9,897 65,898 14.507,900 6.307,901 7.701,902 28.036,904 23.818,905 2.201,906 85.833,910 376.675,911 113.252,912 94.281,914 72.29,917 113.252,918 448.965,919 94.281,920 19.708,921 59.812,922 37.905,923 125.01,924 35.791,925 13.366,926 364.904,928 376.675,929 207.533,930 72.29,933 249.521,934 190.772,935 11,937 81.177,938 73.794,939 50.234,941 376.675,942 166.57,943 113.252,946 376.675,947 46.591,948 74.686,949 36.022,950 122.524,951 376.675,952 166.57,953 113.252,955 0.583,956 0.345,957 0.187,958 0.098,959 32,960 14,961 0.077,962 6,963 3,964 1.172,965 4.844,966 409.453,967 0.207,968 28,969 192.131,974 26.296,975 11.278,976 5.425,977 1.708,978 164.794,979 9.424,980 14.844,984 3.023,985 1.999,986 36.022,987 656.498,988 54,993 23.909,997 -0.535,999 73.61,1000 83.222,1001 0.262,1002 0.607,1003 0.799,1004 0.859,1005 0.859,1006 0.859,1007 5.283,1008 2.074,1009 6.236,1010 6.75,1011 4.844,1012 5.26,1013 2.857,1014 7.074,1015 4.739,1016 6.466,1017 1.879,1018 7.808,1019 5.638,1020 4.443,1021 5.094,1022 2.2,1023 7.997,1024 4.285,1025 7.772,1026 1.586,1027 9.476,1028 5.493,1029 6.466,1030 7.41,1031 3.824,1032 11.115,1033 6.253,1034 9.11,1035 1.497,1036 11.201,1037 4.623,1038 6.889,1039 8.119,1040 3.876,1041 12.871,1042 6.616,1043 10.484,1044 1.337,1045 12.963,1046 4.261,1047 8.366,1048 9.933,1049 5.122,1050 15.509,1051 8.044,1052 11.882,1053 1.082,1054 14.75,1055 3.618,1056 9.166,1057 11.06,1058 5.498,1059 17.629,1060 8.783,1061 13.3,1062 1.007,1063 16.557,1064 2.865,1065 10.429,1066 12.688,1067 6.553,1068 20.112,1069 9.999,1070 3.295,1071 1,1072 18.38,1073 2.275,1074 11.411,1075 14.023,1076 7.101,1077 22.4,1078 10.92,1079 2.939,1080 11.631,1081 20.215,1082 2.275,1083 12.593,1084 15.581,1085 8.048,1086 24.838,1087 12.053,1088 2.839,1089 9.709,1090 22.06,1091 4.638,1092 13.662,1093 17.018,1094 8.696,1095 27.205,1096 13.065,1097 2.761,1098 8.984,1099 23.915,1100 3.796,1101 14.818,1102 18.552,1103 9.58,1104 29.635,1105 14.17,1106 2.589,1107 8.518,1108 25.778,1109 3.378,1110 15.932,1111 20.037,1112 10.287,1113 32.041,1114 15.228,1115 2.496,1116 8.049,1117 27.647,1118 3.168,1119 17.085,1120 21.565,1121 11.134,1122 34.474,1123 16.329,1124 2.137,1125 7.341,1126 29.523,1127 3.093,1128 18.223,1129 23.073,1130 11.875,1131 36.9,1132 17.413,1133 22868,1134 36939,1135 29.937,1136 46.762,1137 66.919,1138 68.944,1139 68.693,1140 66.242,1141 66.254,1142 80.566,1143 13.112,1144 195.368,1145 62.858,1146 5.695,1147 5.761,1148 6.678,1149 5.35,1150 5.295,1151 7.638,1152 3.912,1153 19.2,1154 5.124,1155 18.063,1156 1.521,1157 1.567,1158 1.561,1159 1.506,1160 1.506,1161 1.831,1162 0.298,1163 4.44,1164 1.429,1165 4.146,1166 4.197,1167 4.12,1168 3.988,1169 7.434,1170 4.013,1171 3.903,1172 3.952,1173 3.846,1174 3.808,1175 7.43,1176 3.813,1177 3.902,1178 3.938,1179 3.802,1180 3.731,1181 5.135,1182 3.74,1183 3.795,1184 3.848,1185 3.711,1186 3.625,1187 4.752,1188 3.634,1189 3.614,1190 3.686,1191 3.512,1192 3.376,1193 4.67,1194 3.39,1195 3.44,1196 3.476,1197 3.362,1198 3.141,1199 4.522,1200 3.192,1201 3.3,1202 3.367,1203 3.188,1204 3.065,1205 4.479,1206 3.09,1207 3.245,1208 3.323,1209 3.106,1210 2.999,1211 4.22,1212 3.014,1213 0.107,1214 0.085,1215 0.157,1216 0.096,1217 0.075,1218 4.695,1219 0.105,1220 3.761,1221 0.05,1222 6.906,1223 0.264,1224 4.243,1225 0.071,1226 3.295,1227 4.638,1228 2.208,1229 11.631,1230 3.124,1231 1.955,1232 1.923,1233 2.048,1234 2.101,1235 1.409,1236 2.082,1237 1.847,1238 1.797,1239 2.012,1240 2.022,1241 1.255,1242 2.02,1243 1.77,1244 1.724,1245 1.898,1246 1.95,1247 1.219,1248 1.938,1249 1.604,1250 1.543,1251 1.86,1252 1.826,1253 1.106,1254 1.827,1255 1.574,1256 1.524,1257 1.843,1258 1.761,1259 0.989,1260 1.798,1261 1.545,1262 1.472,1263 1.698,1264 1.76,1265 0.881,1266 1.745,1267 1.339,1268 1.29,1269 1.602,1270 1.666,1271 0.825,1272 1.63,1273 1.212,1274 1.15,1275 1.513,1276 1.521,1277 0.63,1278 1.504,1279 4.489,1281 5.832,1282 3.045,1283 7.367,1284 5.416,1285 8.99,1286 7.516,1287 10.662,1289 3.288,1295 7.026,1296 5.565,1297 10.988,1299 0.549,1300 4.046,1305 44.879,1306 118.501,1307 274.256,1308 361.128,1309 388.347,1310 388.347,1311 388.347,1312 68.915,1313 8.951,1314 126.74,1315 126.74,1316 34,1317 13.093,1318 4.248,1319 3.459,1320 54.883,1321 183,1322 241,1323 0.143,1324 269.396,1325 468.2,1326 649.086,1327 99562,1329 26.932,1330 0.691,1331 0.572,1332 26.932,1333 22.299,1334 19.017,1335 0.432,1336 0.31,1337 13.395,1338 18.001,1339 13.161,1340 10.804,1341 19.017,1342 13.659,1343 17.212,1344 0.273,1345 0.164,1346 17.212,1347 10.31,1348 15.106,1349 0.174,1350 0.089,1351 15.106,1352 7.758,1353 12.953,1354 0.109,1355 0.049,1356 12.953,1357 5.797,1358 10.37,1359 0.066,1360 0.026,1361 10.37,1362 4.075,1363 0.224,1364 121.007,1365 0.183,1366 34.967,1367 0.397,1368 214,1369 637.479,1370 243.358,1371 598.572,1372 826.4,1373 564,1374 257,1375 620.65,1376 287.199,1377 616.714,1378 915.25,1379 581,1380 5.273}
{0 CHEMBL577743,1 1.52,2 18.256,3 3.56,4 12.676,5 166.354,6 7.095,7 0.449,8 4.517,9 4.653,10 4.06,11 4.004,12 5.512,13 3.989,14 5.111,15 5.309,16 4.445,17 4.43,18 6.071,19 4.396,20 5.379,21 5.606,22 4.466,23 4.595,24 6.279,25 4.514,26 5.436,27 5.706,28 4.392,29 4.578,30 6.309,31 4.465,32 5.338,33 5.594,34 4.401,35 4.52,36 6.268,37 4.436,38 5.263,39 5.481,40 4.409,41 4.532,42 6.227,43 4.459,44 5.313,45 5.546,46 4.369,47 4.544,48 6.215,49 4.445,50 5.313,51 5.568,52 4.2,53 4.482,54 6.227,55 4.345,56 0.058,57 1.319,58 18.396,59 6.937,60 11.46,61 10.016,62 0.498,63 2.145,64 36.415,65 11.436,66 37.89,67 17.159,68 0.606,69 2.584,70 49.2,71 15.395,72 53.437,73 23.244,74 0.571,75 2.607,76 53.304,77 16.891,78 63.391,79 26.133,80 0.499,81 2.379,82 48.165,83 15.173,84 64.436,85 23.247,86 0.503,87 2.374,88 43.097,89 13.795,90 55.845,91 20.606,92 0.502,93 2.406,94 45.618,95 15.194,96 47.286,97 23.019,98 0.663,99 2.265,100 46.72,101 16.127,102 72.962,103 23.894,104 11,105 70,106 0.229,107 0.552,108 0.717,109 0.789,110 0.815,111 0.818,112 3.787,113 0.938,114 -5.09,115 -4.99,116 -4.67,119 39,120 1,121 2,124 1,125 8,127 2,142 8,143 3,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 9,174 3,175 11,178 2,179 1,180 4,183 8,186 3,187 9,192 4,195 4,198 5,199 13,204 6,207 2,211 1,212 13,217 4,220 4,224 12,227 3,229 2,232 7,236 3,237 11,245 12,249 3,250 2,253 5,255 1,258 14,263 3,266 2,271 10,275 4112,276 29.624,277 29.624,278 29.624,279 29.624,280 29.624,281 26.987,282 41.732,283 17.241,284 30.389,285 24.2,286 24.2,287 24.2,288 24.2,289 24.2,290 20.056,291 58.382,292 8.241,293 25.447,294 4.837,295 2.693,296 1.595,297 1.116,298 0.945,299 0.921,300 4.511,306 1784,307 3.742,310 224.613,311 731.576,312 145.027,314 205.178,318 2.982,319 32.528,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 92.5,331 785,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.817,345 2.882,346 3.792,347 0.916,348 9.109,349 2.742,350 4.076,351 3.148,352 6.11,353 3.77,354 2.801,355 3.654,356 0.86,357 8.944,358 2.673,359 3.985,360 3.05,361 5.653,362 3.718,363 2.751,364 3.319,365 0.8,366 7.883,367 2.656,368 3.836,369 2.796,370 5.649,371 3.561,372 2.615,373 3.164,374 0.8,375 7.725,376 2.469,377 3.677,378 2.724,379 5.533,380 3.423,381 2.477,382 2.906,383 0.247,384 7.542,385 2.341,386 3.632,387 2.718,388 5.338,389 3.371,390 2.431,391 2.763,392 0.172,393 6.961,394 2.269,395 3.488,396 2.489,397 5.109,398 3.201,399 2.245,400 2.593,402 6.304,403 2.145,404 3.275,405 2.399,406 5.009,407 2.927,408 1.978,409 2.45,411 5.638,412 1.875,413 2.989,414 2.146,415 4.879,416 2.839,417 1.879,418 2.153,420 5.466,421 1.794,422 2.972,423 2.093,424 4.809,425 2.751,426 1.787,427 2.057,428 5.439,429 1.706,430 2.942,431 1.961,432 4.627,433 2.703,434 1.749,435 1.997,436 4.946,437 1.659,438 2.879,439 1.535,440 4.408,441 2.429,442 1.473,443 1.879,445 4.234,446 1.403,447 2.625,448 1.326,449 4.28,450 2.17,451 1.237,452 1.668,454 3.585,455 1.152,456 2.5,457 1.146,458 3.664,459 2,460 1,461 1.5,463 2.275,464 1,465 20.267,466 0.471,467 1.015,468 0.024,469 53.25,470 1.238,471 23,472 0.535,473 30.25,474 0.703,475 42.641,476 0.992,477 46.933,478 0.572,479 44.438,480 1.033,481 10.162,482 0.236,483 10.839,484 0.252,485 0.066,487 0.35,493 0.842,494 1.551,495 0.811,496 1.214,497 0.634,498 1.036,499 1.086,500 1.101,501 0.927,502 0.945,503 0.602,504 0.91,505 1.244,506 1.148,507 1.087,508 1.041,509 0.938,510 1.046,511 0.782,512 0.983,513 0.92,514 0.977,515 0.749,516 0.961,517 1.002,518 1.001,519 0.847,520 0.878,521 1.264,522 0.843,523 1.211,524 1.045,525 1.114,526 1.025,527 1.332,528 1.044,529 0.862,530 1.141,531 1.048,532 1.124,533 0.728,534 1.108,535 0.754,536 0.915,537 1.088,538 1.113,539 0.957,540 1.143,541 9.5,542 0.253,543 4,544 2.354,545 2.177,546 1.504,547 1.007,548 0.578,549 0.513,550 0.352,551 40261,552 85930,553 2.195,554 47.6,556 29,558 1,559 2,561 7,564 1.811,565 2.098,566 4.052,567 0.137,573 124.659,574 1.52,575 3.665,576 4.762,577 5.242,578 5.412,579 5.437,580 3.495,581 4.915,582 5.395,583 4.319,584 3899.62,585 9.512,586 76002.6,591 521.319,592 1.253,593 5.377,594 0.194,595 0.007,596 0.057,597 0.034,598 0.035,599 0.023,600 0.015,601 0.009,602 0.01,603 0.008,604 0.392,605 0.17,606 0.63,607 0.52,608 253.551,609 0.021,610 -0.279,611 0.09,612 -0.112,614 -0.019,615 0.043,616 0.063,617 0.044,618 0.051,619 0.128,620 0.049,621 -0.122,622 -0.088,623 -0.102,624 -0.048,625 -0.032,626 -0.073,627 0.048,628 0.009,629 0.06,631 0.103,632 0.028,633 -0.019,634 -0.008,635 0.141,636 0.113,637 0.014,638 0.147,639 -0.155,640 0.064,641 -0.144,642 -0.027,643 -0.158,644 -0.072,645 0.018,646 -0.086,647 -0.088,648 -0.108,649 -0.017,650 -0.11,651 0.117,652 0.079,653 -0.119,654 -0.102,655 0.037,656 -0.138,657 1.951,658 5.749,659 0.814,660 63.893,661 0.998,662 1.136,663 3.862,664 14.913,665 0.651,666 3.912,667 4.263,668 4.554,669 4.86,670 5.124,671 5.263,672 5.464,673 5.631,674 5.784,675 5.943,676 10.512,677 0.616,678 581.8,679 3.912,680 5.476,681 6.34,682 7.231,683 8.109,684 9.004,685 9.891,686 10.789,687 11.683,688 12.584,689 11,692 2,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 82,733 23,734 2,735 49,737 88,738 32,739 17,740 4,741 8,746 7,747 9,751 1,752 1,755 4,758 4,761 18,762 14,766 1,771 1,775 1,781 39,782 10,783 2,784 11,790 9,794 0.714,795 2,801 1,803 1,806 1,811 2,812 5,813 1,815 1,836 2,839 1,840 5,844 2,848 43,854 10,855 2,856 1,858 2,859 3,870 2.4,873 1,874 1,877 20.5,878 15.15,879 9.222,880 5.233,881 4.267,882 1.451,883 1.018,884 8.126,885 13.731,886 4.127,887 4.712,888 5.283,889 5.889,890 6.444,891 6.813,892 7.302,893 7.752,894 8.09,895 8.497,896 0.917,897 69,898 15.976,900 6.91,901 7.527,902 31.384,904 26.766,905 2.027,906 87.167,910 435.531,911 149.098,912 97.405,914 36.145,917 149.098,918 471.676,919 97.405,920 17.222,921 57.936,922 75.81,923 99.865,924 36.982,925 6.604,926 423.76,928 435.531,929 246.503,930 36.145,933 355.461,934 107.543,935 11,937 85.549,938 108.392,939 50.234,941 435.531,942 133.55,943 149.098,946 435.531,947 47.019,948 113.228,949 36.022,950 86.379,951 435.531,952 133.55,953 149.098,955 0.587,956 0.34,957 0.187,958 0.105,959 36,960 15,961 0.08,962 7,963 3,964 1.143,965 5.426,966 449.316,967 0.171,968 34,969 215.329,974 28.385,975 12.309,976 6.303,977 1.798,978 131.773,979 17.621,980 14.51,984 5.134,985 1.915,986 36.022,987 718.179,988 61,993 12.749,997 -0.284,999 81.825,1000 93.132,1001 0.239,1002 0.576,1003 0.749,1004 0.824,1005 0.851,1006 0.855,1007 5.396,1008 2.245,1009 6.326,1010 6.961,1011 4.949,1012 5.4,1013 2.371,1014 7.135,1015 4.85,1016 6.581,1017 1.978,1018 7.877,1019 6.304,1020 4.511,1021 5.182,1022 1.494,1023 7.978,1024 4.354,1025 7.88,1026 1.879,1027 9.52,1028 5.638,1029 6.547,1030 7.554,1031 2.651,1032 11.079,1033 6.347,1034 9.209,1035 1.787,1036 11.217,1037 5.466,1038 6.909,1039 8.191,1040 2.426,1041 12.761,1042 6.649,1043 10.571,1044 1.749,1045 12.95,1046 5.439,1047 8.4,1048 10.052,1049 3.321,1050 15.382,1051 8.1,1052 11.956,1053 1.473,1054 14.709,1055 4.946,1056 9.145,1057 11.119,1058 3.436,1059 17.455,1060 8.784,1061 13.361,1062 1.237,1063 16.489,1064 4.234,1065 10.414,1066 12.772,1067 4.179,1068 19.922,1069 10.011,1070 3.264,1071 1,1072 18.286,1073 3.585,1074 11.354,1075 14.064,1076 4.472,1077 22.182,1078 10.892,1079 2.882,1080 11.414,1081 20.098,1082 2.275,1083 12.532,1084 15.63,1085 5.118,1086 24.604,1087 12.025,1088 2.801,1089 9.109,1090 21.923,1091 4.627,1092 13.572,1093 17.038,1094 5.506,1095 26.952,1096 13.007,1097 2.751,1098 8.944,1099 23.759,1100 3.792,1101 14.72,1102 18.572,1103 6.093,1104 29.368,1105 14.106,1106 2.615,1107 7.883,1108 25.605,1109 3.654,1110 15.813,1111 20.04,1112 6.532,1113 31.758,1114 15.142,1115 2.477,1116 7.725,1117 27.459,1118 3.319,1119 16.954,1120 21.563,1121 7.084,1122 34.176,1123 16.233,1124 2.431,1125 7.542,1126 29.322,1127 3.164,1128 18.077,1129 23.061,1130 7.551,1131 36.587,1132 17.299,1133 36179,1134 53160,1135 33.808,1136 53.381,1137 74.213,1138 74.863,1139 75.07,1140 73.784,1141 73.735,1142 91.37,1143 10.904,1144 214.88,1145 70.199,1146 5.675,1147 5.562,1148 6.387,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 16.532,1156 1.515,1157 1.528,1158 1.532,1159 1.506,1160 1.505,1161 1.865,1162 0.223,1163 4.385,1164 1.433,1165 4.135,1166 4.186,1167 4.11,1168 3.981,1169 7.431,1170 4.005,1171 3.966,1172 4.012,1173 3.901,1174 3.868,1175 5.137,1176 3.87,1177 3.901,1178 3.942,1179 3.826,1180 3.798,1181 4.771,1182 3.802,1183 3.872,1184 3.916,1185 3.79,1186 3.716,1187 4.733,1188 3.726,1189 3.791,1190 3.856,1191 3.679,1192 3.599,1193 4.67,1194 3.609,1195 3.499,1196 3.57,1197 3.427,1198 3.285,1199 4.484,1200 3.295,1201 3.424,1202 3.486,1203 3.319,1204 3.189,1205 4.384,1206 3.218,1207 3.264,1208 3.352,1209 3.122,1210 3.042,1211 4.053,1212 3.052,1213 0.095,1214 0.073,1215 0.14,1216 0.086,1217 0.067,1218 4.675,1219 0.094,1220 3.562,1221 0.034,1222 6.845,1223 0.233,1224 4.211,1225 0.063,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.953,1232 1.923,1233 2.057,1234 2.086,1235 1.322,1236 2.07,1237 1.925,1238 1.893,1239 2.027,1240 2.059,1241 1.255,1242 2.057,1243 1.793,1244 1.755,1245 1.951,1246 1.968,1247 1.224,1248 1.963,1249 1.749,1250 1.677,1251 1.907,1252 1.927,1253 1.128,1254 1.931,1255 1.619,1256 1.557,1257 1.86,1258 1.874,1259 1.109,1260 1.863,1261 1.604,1262 1.543,1263 1.85,1264 1.76,1265 1.042,1266 1.798,1267 1.509,1268 1.444,1269 1.681,1270 1.722,1271 0.835,1272 1.711,1273 1.33,1274 1.273,1275 1.582,1276 1.604,1277 0.825,1278 1.588,1279 4.595,1281 5.938,1282 3.045,1283 7.463,1284 5.416,1285 9.072,1286 7.506,1287 10.727,1289 4.234,1295 9.876,1296 5.876,1297 6.072,1299 0.509,1300 7.157,1305 50.524,1306 124.659,1307 300.533,1308 390.507,1309 429.809,1310 443.809,1311 445.809,1312 64.565,1313 9.464,1314 103.68,1315 103.68,1316 40,1317 13.107,1318 4.585,1319 3.7,1320 58.719,1321 276,1322 312,1323 0.101,1324 302.911,1325 519.58,1326 730.864,1327 237488,1329 29.338,1330 0.682,1331 0.578,1332 29.338,1333 24.869,1334 21.001,1335 0.429,1336 0.313,1337 15.082,1338 20.086,1339 14.757,1340 12.137,1341 21.001,1342 15.327,1343 19.351,1344 0.276,1345 0.169,1346 19.351,1347 11.864,1348 16.576,1349 0.176,1350 0.093,1351 16.576,1352 8.734,1353 14.265,1354 0.111,1355 0.049,1356 14.265,1357 6.283,1358 11.883,1359 0.071,1360 0.027,1361 11.883,1362 4.535,1363 0.167,1364 131.944,1365 0.172,1366 38.987,1367 0.258,1368 238,1369 617.653,1370 263.349,1371 596.23,1372 837.6,1373 564,1374 283,1375 639.736,1376 310.601,1377 643.553,1378 951.03,1379 607,1380 6.495}
{0 CHEMBL577966,1 1.56,2 17.476,3 3.038,4 9.226,5 160.397,6 7.292,7 0.458,8 4.478,9 4.614,10 4.044,11 3.95,12 5.498,13 3.946,14 5.068,15 5.265,16 4.435,17 4.373,18 6.057,19 4.352,20 5.33,21 5.558,22 4.463,23 4.533,24 6.262,25 4.469,26 5.363,27 5.624,28 4.39,29 4.518,30 6.29,31 4.427,32 5.284,33 5.532,34 4.385,35 4.467,36 6.269,37 4.391,38 5.207,39 5.433,40 4.376,41 4.449,42 6.174,43 4.389,44 5.201,45 5.417,46 4.342,47 4.455,48 6.174,49 4.378,50 5.264,51 5.519,52 4.18,53 4.427,54 6.183,55 4.297,56 0.057,57 1.285,58 16.969,59 6.302,60 11.327,61 9.113,62 0.518,63 2.066,64 34.115,65 10.42,66 38.21,67 15.654,68 0.675,69 2.466,70 46.525,71 13.786,72 54.896,73 20.99,74 0.603,75 2.463,76 48.988,77 14.742,78 63.528,79 23.026,80 0.624,81 2.27,82 45.168,83 14.041,84 72.646,85 21.377,86 0.496,87 2.228,88 40.477,89 12.229,90 51.897,91 18.645,92 0.59,93 2.221,94 39.619,95 12.554,96 47.872,97 19.043,98 0.578,99 2.14,100 44.111,101 15.15,102 65.673,103 22.517,104 11,105 69,106 0.237,107 0.561,108 0.734,109 0.822,110 0.831,111 0.831,112 3.765,113 0.921,114 -4.81,115 -4.72,116 -4.43,119 38.5,120 1,121 2,124 1,125 7,127 2,142 6,143 2,144 2,145 2,147 2,149 1,159 1,161 1,166 1,172 6,174 4,175 12,178 2,179 1,180 3,183 4,186 3,187 9,190 1,192 3,195 2,198 5,199 10,204 4,207 2,211 3,212 12,215 2,217 3,220 4,224 10,227 2,229 1,232 5,236 4,237 11,240 1,245 8,249 2,250 4,253 5,255 1,258 9,263 6,266 1,271 7,275 3828,276 28.969,277 28.969,278 28.969,279 28.969,280 28.969,281 26.357,282 41.184,283 16.782,284 29.793,285 23.688,286 23.688,287 23.688,288 23.688,289 23.688,290 19.565,291 58.474,292 7.983,293 25.041,294 4.725,295 2.591,296 1.45,297 0.875,298 0.814,299 0.814,300 4.489,306 1672,307 3.606,310 216.324,311 702.674,312 139.73,314 197.336,318 2.812,319 34.337,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 91,331 734,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.178,342 3.399,343 6.152,344 3.826,345 2.892,346 3.793,347 0.86,348 9.109,349 2.742,350 4.147,351 3.148,352 6.148,353 3.813,354 2.881,355 3.7,356 0.8,357 9.075,358 2.69,359 3.986,360 3.136,361 6.11,362 3.762,363 2.793,364 3.32,365 0.8,366 8.943,367 2.658,368 3.87,369 2.796,370 5.65,371 3.569,372 2.614,373 3.173,374 0.8,375 7.727,376 2.486,377 3.703,378 2.72,379 5.562,380 3.394,381 2.463,382 2.99,383 0.247,384 7.611,385 2.302,386 3.634,387 2.661,388 5.319,389 3.342,390 2.394,391 2.763,393 6.91,394 2.258,395 3.407,396 2.471,397 5.039,398 3.177,399 2.247,400 2.574,402 6.081,403 2.086,404 3.269,405 2.386,406 5.009,407 2.886,408 1.901,409 2.359,411 5.638,412 1.857,413 2.977,414 2.093,415 4.879,416 2.839,417 1.879,418 2.153,420 5.444,421 1.794,422 2.948,423 1.961,424 4.68,425 2.706,426 1.758,427 2.057,428 5.106,429 1.66,430 2.879,431 1.631,432 4.42,433 2.44,434 1.491,435 1.879,436 4.275,437 1.41,438 2.628,439 1.535,440 4.284,441 2.333,442 1.391,443 1.67,445 3.906,446 1.305,447 2.609,448 1.326,449 4.264,450 2.17,451 1.237,452 1.62,454 3.584,455 1.152,456 2.5,457 1.146,458 3.664,459 2,460 1,461 1.5,463 2.275,464 1,465 19.667,466 0.468,467 0.998,468 0.024,469 53.75,470 1.28,471 23.5,472 0.56,473 30.25,474 0.72,475 40.392,476 0.962,477 45.733,478 0.586,479 44.423,480 1.058,481 10.185,482 0.242,483 10.333,484 0.246,485 0.068,487 0.361,493 0.848,494 1.608,495 0.781,496 1.234,497 0.629,498 1.029,499 1.053,500 1.12,501 0.895,502 0.946,503 0.601,504 0.897,505 1.253,506 1.117,507 1.054,508 0.986,509 0.94,510 0.993,511 0.866,512 0.999,513 0.961,514 0.982,515 0.836,516 0.974,517 0.937,518 0.978,519 0.885,520 0.921,521 1.272,522 0.899,523 1.168,524 1.065,525 1.039,526 0.977,527 1.159,528 0.977,529 0.962,530 1.142,531 1.148,532 1.149,533 0.81,534 1.164,535 0.693,536 0.947,537 1.046,538 1.158,539 0.816,540 1.157,541 9,542 0.274,543 4.444,544 2.354,545 1.937,546 1.74,547 0.966,548 0.53,549 0.517,550 0.346,551 37144,552 83133,553 2.2,554 46.2,556 25,558 2,559 2,561 7,564 1.806,565 2.1,566 3.996,567 0.173,573 121.718,574 1.56,575 3.694,576 4.836,577 5.41,578 5.471,579 5.471,580 3.463,581 4.851,582 5.362,583 4.256,584 3664.2,585 9.449,586 69278.6,591 490.261,592 1.264,593 5.342,594 0.188,595 0.007,596 0.064,597 0.034,598 0.031,599 0.027,600 0.015,601 0.009,602 0.011,603 0.008,604 0.394,605 0.17,606 0.63,607 0.529,608 245.059,609 0.002,610 -0.331,611 0.091,612 -0.138,614 -0.03,615 0.05,616 0.039,617 0.06,618 0.044,619 0.132,620 0.052,621 -0.128,622 -0.063,623 -0.072,624 -0.005,625 -0.031,626 -0.031,627 -0.005,628 0.015,629 0.017,630 -0.008,631 0.053,632 0.008,633 0.045,634 0.023,635 0.097,636 0.074,637 0.022,638 0.091,639 -0.159,640 0.022,641 -0.075,642 0.011,643 -0.114,644 -0.01,645 -0.012,646 -0.035,647 -0.201,648 -0.143,649 -0.059,650 -0.189,651 0.114,652 0.033,653 -0.085,654 -0.133,655 0.063,656 -0.138,657 1.995,658 5.709,659 0.833,660 59.014,661 1.002,662 1.138,663 3.579,664 12.808,665 0.652,666 3.892,667 4.248,668 4.554,669 4.86,670 5.124,671 5.283,672 5.472,673 5.631,674 5.79,675 5.943,676 10.09,677 0.622,678 568.76,679 3.892,680 5.46,681 6.33,682 7.223,683 8.107,684 9.006,685 9.897,686 10.799,687 11.695,688 12.6,689 12.8,692 1,695 2,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 2,731 78,733 23,734 1,735 48,737 84,738 30,739 16,740 2,741 4,746 7,747 9,751 1,752 1,755 4,758 4,761 17,762 13,766 1,771 1,775 1,781 36,782 11,783 2,784 12,790 10,794 0.714,795 2,801 1,803 1,805 1,806 1,811 2,812 5,813 1,815 1,836 1,839 1,840 5,844 2,848 42,854 9,855 2,856 1,858 2,859 3,870 2.6,873 1,874 1,877 20,878 14.517,879 9,880 4.98,881 4.26,882 1.452,883 1.02,884 7.61,885 13.685,886 4.111,887 4.703,888 5.288,889 5.896,890 6.452,891 6.833,892 7.318,893 7.76,894 8.096,895 8.5,896 1,897 69,898 15.588,900 6.767,901 7.563,902 30.438,904 25.911,905 2.063,906 86.667,910 400.217,911 136.23,912 114.191,914 36.145,917 136.23,918 436.362,919 114.191,920 17.222,921 55.83,922 56.857,923 128.422,924 42.844,925 8.932,926 376.675,928 400.217,929 250.42,930 36.145,933 320.148,934 107.543,935 11,937 89.367,938 91.706,939 67.02,941 400.217,942 150.335,943 136.23,946 400.217,947 44.056,948 103.323,949 36.022,950 103.164,951 400.217,952 150.335,953 136.23,955 0.588,956 0.345,957 0.19,958 0.105,959 36,960 15,961 0.071,962 6,963 3,964 1.143,965 5.31,966 440.167,967 0.171,968 34,969 212.477,974 27.383,975 11.672,976 5.791,977 1.785,978 148.559,979 14.998,980 19.032,984 4.644,985 1.909,986 36.022,987 686.783,988 60,993 12.709,997 -0.328,999 78.159,1000 88.799,1001 0.248,1002 0.588,1003 0.769,1004 0.861,1005 0.87,1006 0.87,1007 5.382,1008 2.247,1009 6.319,1010 6.91,1011 4.934,1012 5.391,1013 2.318,1014 7.14,1015 4.825,1016 6.571,1017 1.901,1018 7.879,1019 6.081,1020 4.511,1021 5.182,1022 1.494,1023 8.015,1024 4.339,1025 7.874,1026 1.879,1027 9.532,1028 5.638,1029 6.544,1030 7.555,1031 2.615,1032 11.118,1033 6.322,1034 9.208,1035 1.758,1036 11.24,1037 5.444,1038 6.929,1039 8.203,1040 2.41,1041 12.827,1042 6.642,1043 10.576,1044 1.491,1045 12.984,1046 5.106,1047 8.416,1048 10.061,1049 3.305,1050 15.446,1051 8.082,1052 11.966,1053 1.391,1054 14.754,1055 4.275,1056 9.18,1057 11.134,1058 3.427,1059 17.528,1060 8.783,1061 13.376,1062 1.237,1063 16.544,1064 3.906,1065 10.447,1066 12.784,1067 4.173,1068 19.989,1069 10.002,1070 3.264,1071 1,1072 18.349,1073 3.584,1074 11.399,1075 14.077,1076 4.469,1077 22.247,1078 10.895,1079 2.892,1080 11.414,1081 20.168,1082 2.275,1083 12.577,1084 15.641,1085 5.116,1086 24.662,1087 12.023,1088 2.881,1089 9.109,1090 21.999,1091 4.627,1092 13.624,1093 17.049,1094 5.505,1095 27.004,1096 13.013,1097 2.793,1098 9.075,1099 23.839,1100 3.793,1101 14.771,1102 18.582,1103 6.092,1104 29.412,1105 14.109,1106 2.614,1107 8.943,1108 25.687,1109 3.7,1110 15.867,1111 20.048,1112 6.531,1113 31.795,1114 15.149,1115 2.463,1116 7.727,1117 27.543,1118 3.32,1119 17.008,1120 21.571,1121 7.084,1122 34.208,1123 16.238,1124 2.394,1125 7.611,1126 29.406,1127 3.173,1128 18.13,1129 23.067,1130 7.551,1131 36.613,1132 17.307,1133 33307,1134 50095,1135 33.115,1136 50.864,1137 72.977,1138 73.659,1139 74.078,1140 72.528,1141 72.504,1142 90.136,1143 10.326,1144 212.927,1145 68.654,1146 5.675,1147 5.562,1148 6.387,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 16.222,1156 1.52,1157 1.535,1158 1.543,1159 1.511,1160 1.511,1161 1.878,1162 0.215,1163 4.436,1164 1.43,1165 4.134,1166 4.185,1167 4.11,1168 3.978,1169 7.431,1170 4.003,1171 3.951,1172 4.007,1173 3.896,1174 3.806,1175 5.137,1176 3.82,1177 3.901,1178 3.942,1179 3.825,1180 3.783,1181 4.889,1182 3.791,1183 3.871,1184 3.916,1185 3.79,1186 3.714,1187 4.751,1188 3.725,1189 3.737,1190 3.803,1191 3.63,1192 3.551,1193 4.67,1194 3.56,1195 3.491,1196 3.565,1197 3.412,1198 3.283,1199 4.485,1200 3.289,1201 3.4,1202 3.456,1203 3.306,1204 3.143,1205 4.357,1206 3.183,1207 3.206,1208 3.3,1209 3.059,1210 2.985,1211 4.059,1212 2.991,1213 0.097,1214 0.074,1215 0.143,1216 0.088,1217 0.068,1218 4.675,1219 0.096,1220 3.562,1221 0.035,1222 6.845,1223 0.238,1224 4.211,1225 0.064,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.921,1233 2.03,1234 2.086,1235 1.292,1236 2.067,1237 1.87,1238 1.821,1239 2.011,1240 2.058,1241 1.255,1242 2.047,1243 1.792,1244 1.754,1245 1.909,1246 1.955,1247 1.224,1248 1.945,1249 1.696,1250 1.629,1251 1.869,1252 1.892,1253 1.111,1254 1.889,1255 1.619,1256 1.557,1257 1.86,1258 1.872,1259 1.043,1260 1.863,1261 1.604,1262 1.543,1263 1.849,1264 1.76,1265 0.944,1266 1.798,1267 1.509,1268 1.444,1269 1.681,1270 1.719,1271 0.835,1272 1.71,1273 1.273,1274 1.223,1275 1.542,1276 1.567,1277 0.825,1278 1.537,1279 4.575,1281 5.922,1282 3.045,1283 7.455,1284 5.416,1285 9.072,1286 7.506,1287 10.735,1289 4.192,1295 8.489,1296 5.775,1297 6.066,1299 0.501,1300 6.896,1305 48.492,1306 121.718,1307 288.134,1308 377.184,1309 421.997,1310 426.752,1311 426.752,1312 62.433,1313 9.425,1314 116.57,1315 116.57,1316 40,1317 13.12,1318 4.585,1319 3.7,1320 56.679,1321 258,1322 290,1323 0.104,1324 290.521,1325 495.98,1326 700.631,1327 221965,1329 28.631,1330 0.682,1331 0.572,1332 28.631,1333 24.032,1334 20.518,1335 0.427,1336 0.307,1337 14.482,1338 19.541,1339 14.197,1340 11.661,1341 20.518,1342 14.741,1343 18.903,1344 0.274,1345 0.164,1346 18.903,1347 11.283,1348 16.426,1349 0.175,1350 0.089,1351 16.426,1352 8.353,1353 14.178,1354 0.111,1355 0.047,1356 14.178,1357 6.008,1358 11.687,1359 0.07,1360 0.025,1361 11.687,1362 4.22,1363 0.171,1364 129.462,1365 0.174,1366 38.115,1367 0.269,1368 234,1369 633.298,1370 261.459,1371 608.917,1372 856.84,1373 576,1374 280,1375 658.905,1376 309.794,1377 659.648,1378 976.53,1379 623,1380 6.708}
{0 CHEMBL577967,1 1.606,2 16.78,3 2.853,4 8.14,5 153.833,6 7.51,7 0.478,8 4.422,9 4.554,10 4.002,11 3.899,12 5.508,13 3.9,14 4.982,15 5.168,16 4.389,17 4.303,18 6.056,19 4.289,20 5.231,21 5.443,22 4.42,23 4.442,24 6.274,25 4.396,26 5.267,27 5.515,28 4.383,29 4.42,30 6.319,31 4.359,32 5.173,33 5.383,34 4.364,35 4.387,36 6.286,37 4.345,38 5.158,39 5.367,40 4.363,41 4.433,42 6.195,43 4.378,44 5.214,45 5.431,46 4.311,47 4.463,48 6.187,49 4.373,50 5.247,51 5.505,52 4.167,53 4.394,54 6.268,55 4.261,56 0.117,57 1.198,58 15.285,59 6.048,60 10.925,61 8.307,62 0.534,63 1.888,64 30.223,65 9.862,66 39.005,67 14.184,68 0.71,69 2.235,70 41.091,71 12.377,72 61.819,73 18.139,74 0.658,75 2.236,76 44.127,77 13.209,78 71.73,79 19.934,80 0.635,81 2.071,82 39.007,83 11.995,84 82.898,85 17.244,86 0.612,87 2.158,88 37.116,89 11.872,90 56.516,91 17.214,92 0.571,93 2.199,94 39.489,95 13.718,96 47.624,97 19.983,98 0.798,99 2.071,100 43.74,101 15.32,102 102.026,103 22.583,104 32,105 66,106 0.246,107 0.599,108 0.745,109 0.781,110 0.798,111 0.81,112 3.741,113 0.898,114 -4.95,115 -4.85,116 -4.55,119 39.2,120 1,121 2,124 2,125 3,127 2,142 8,143 3,144 2,145 1,147 1,149 1,158 1,159 1,161 1,166 1,168 1,172 9,174 3,175 11,178 3,179 1,180 5,183 8,186 3,187 10,192 6,195 4,198 5,199 15,204 8,207 2,211 1,212 14,217 4,220 4,224 10,227 3,228 1,229 2,232 7,236 3,237 9,240 1,245 12,249 3,250 2,253 6,254 1,255 1,258 14,262 1,263 3,266 2,271 10,275 3644,276 27.814,277 27.814,278 27.814,279 27.814,280 27.814,281 25.086,282 35.977,283 16.131,284 28.416,285 22.695,286 22.695,287 22.695,288 22.695,289 22.695,290 18.345,291 48.266,292 7.66,293 23.677,294 4.603,295 2.301,296 1.348,297 1.112,298 1.004,299 0.922,300 4.454,306 1531,307 4.359,310 212.053,311 533.643,312 136.751,314 193.865,318 2.685,319 39.652,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89.5,331 688,332 4.675,333 3.57,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.204,342 3.553,343 6.152,344 3.85,345 2.882,346 3.795,347 0.98,348 9.109,349 2.845,350 4.168,351 3.399,352 6.11,353 3.815,354 2.851,355 3.772,356 0.86,357 8.944,358 2.738,359 3.986,360 3.148,361 6.048,362 3.763,363 2.79,364 3.322,365 0.8,366 8.669,367 2.658,368 3.888,369 2.796,370 5.65,371 3.566,372 2.599,373 3.198,374 0.4,375 7.726,376 2.502,377 3.72,378 2.72,379 5.558,380 3.391,381 2.459,382 3.078,383 0.247,384 7.594,385 2.301,386 3.637,387 2.568,388 5.313,389 3.323,390 2.36,391 2.764,393 6.884,394 2.256,395 3.378,396 2.404,397 5.009,398 3.057,399 2.1,400 2.596,402 5.638,403 2.005,404 3.138,405 2.337,406 4.879,407 2.861,408 1.879,409 2.219,411 5.444,412 1.839,413 2.977,414 2.093,415 4.754,416 2.839,417 1.869,418 2.141,420 5.343,421 1.794,422 2.948,423 1.961,424 4.632,425 2.705,426 1.757,427 2.057,428 4.968,429 1.66,430 2.879,431 1.882,432 4.411,433 2.434,434 1.479,435 1.879,436 4.244,437 1.407,438 2.667,439 1.535,440 4.28,441 2.217,442 1.24,443 1.67,445 3.586,446 1.205,447 2.624,448 1.326,449 3.836,450 2.169,451 1.201,452 1.615,454 3.001,455 1.151,456 2.5,457 1,458 3.664,459 2,460 1,461 1.5,463 2.275,464 1,465 19.1,466 0.466,467 1.074,468 0.026,469 52.75,470 1.287,471 24.5,472 0.598,473 28.25,474 0.689,475 38.093,476 0.929,477 44.5,478 0.601,479 45.711,480 1.115,481 10.248,482 0.25,483 9.608,484 0.234,485 0.113,487 0.377,493 0.776,494 1.442,495 0.765,496 1.163,497 0.597,498 0.988,499 0.902,500 1.111,501 0.835,502 0.947,503 0.543,504 0.882,505 1.235,506 1.17,507 1.056,508 1.002,509 0.941,510 0.999,511 0.933,512 0.977,513 0.901,514 0.928,515 0.924,516 0.899,517 1.337,518 1.125,519 1.025,520 0.965,521 1.717,522 0.949,523 1.059,524 1.013,525 1.107,526 1.002,527 0.939,528 1.04,529 0.784,530 1.135,531 1.104,532 1.199,533 0.649,534 1.201,535 0.453,536 0.887,537 0.957,538 1.11,539 0.438,540 1.122,541 9.5,542 0.241,543 4.222,544 2.604,545 2.035,546 1.754,547 0.887,548 0.616,549 0.464,550 0.391,551 32596,552 82880,553 2.132,554 44.6,556 22,558 1,559 3,561 7,564 1.801,565 2,566 3.944,567 0.789,573 118.869,574 1.606,575 3.908,576 4.861,577 5.098,578 5.206,579 5.287,580 3.369,581 4.803,582 5.326,583 4.217,584 3458.04,585 9.382,586 64025.8,591 459.5,592 1.395,593 5.292,594 0.207,595 0.007,596 0.064,597 0.039,598 0.032,599 0.028,600 0.014,601 0.011,602 0.01,603 0.01,604 0.421,605 0.17,606 0.63,607 0.975,608 237.233,609 0.007,610 -0.18,611 0.071,612 -0.085,613 -0.04,614 -0.012,615 0.086,616 0.039,617 0.091,618 0.05,619 0.117,620 0.067,621 -0.14,622 -0.11,623 -0.087,624 -0.024,625 -0.048,626 -0.046,627 -0.014,628 0.037,629 0.084,630 0.035,631 0.058,632 0.075,633 -0.187,634 -0.089,635 -0.05,636 0.027,637 -0.192,638 0.013,639 -0.139,640 0.102,641 -0.174,642 -0.012,643 -0.114,644 -0.081,645 -0.002,646 -0.074,647 -0.178,648 -0.172,649 -0.055,650 -0.199,651 0.279,652 0.062,653 0.01,654 -0.083,655 0.268,656 -0.085,657 2.058,658 5.608,659 0.707,660 57.126,661 1.007,662 1.136,663 3.721,664 13.845,665 0.656,666 3.85,667 4.205,668 4.489,669 4.796,670 5.037,671 5.209,672 5.403,673 5.572,674 5.714,675 5.872,676 9.845,677 0.631,678 555.71,679 3.85,680 5.416,681 6.279,682 7.172,683 8.052,684 8.951,685 9.839,686 10.742,687 11.637,688 12.543,689 12.2,692 1,695 1,696 3,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 74,733 24,734 2,735 46,737 79,738 29,739 17,740 4,741 8,742 1,746 6,747 8,751 1,752 1,755 4,758 4,761 19,762 10,766 2,771 2,775 2,781 33,782 11,783 3,784 12,790 9,793 1,794 0.667,795 3,801 1,803 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,844 3,848 41,854 5,855 3,856 1,858 2,859 2,870 4.1,873 2,874 1,877 20.5,878 14.117,879 8.833,880 4.525,881 4.244,882 1.466,883 1.005,884 7.798,885 13.346,886 4.094,887 4.694,888 5.277,889 5.889,890 6.436,891 6.827,892 7.305,893 7.744,894 8.067,895 8.478,896 0.909,897 66,898 15.191,900 6.557,901 7.715,902 29.087,904 24.243,905 2.215,906 90.833,910 353.133,911 151.671,912 112.046,914 61.29,917 151.671,918 414.423,919 112.046,920 25.618,921 65.296,922 75.81,923 129.715,924 33.736,925 6.604,926 341.362,928 353.133,929 263.717,930 61.29,933 273.063,934 132.688,935 11,937 89.662,938 121.493,939 50.234,941 353.133,942 173.336,943 151.671,946 353.133,947 41.195,948 118.378,949 53.91,950 111.524,951 353.133,952 173.336,953 151.671,955 0.587,956 0.337,957 0.187,958 0.1,959 33,960 15,961 0.089,962 7,963 3,964 1.172,965 5.13,966 419.038,967 0.207,968 28,969 203.66,974 27.455,975 11.645,976 6.004,977 1.747,978 171.56,979 15.959,980 14.407,984 4.016,985 1.889,986 53.91,987 678.14,988 59,993 24.705,997 -0.616,999 74.501,1000 84.095,1001 0.259,1002 0.629,1003 0.783,1004 0.821,1005 0.838,1006 0.851,1007 5.359,1008 2.1,1009 6.275,1010 6.884,1011 4.89,1012 5.382,1013 2.349,1014 7.096,1015 4.807,1016 6.561,1017 1.879,1018 7.837,1019 5.638,1020 4.511,1021 5.215,1022 1.305,1023 7.978,1024 4.387,1025 7.869,1026 1.869,1027 9.492,1028 5.444,1029 6.5,1030 7.564,1031 2.684,1032 11.078,1033 6.332,1034 9.209,1035 1.757,1036 11.202,1037 5.343,1038 6.909,1039 8.233,1040 2.354,1041 12.785,1042 6.696,1043 10.58,1044 1.479,1045 12.947,1046 4.968,1047 8.374,1048 10.081,1049 3.349,1050 15.408,1051 8.121,1052 11.974,1053 1.24,1054 14.718,1055 4.244,1056 9.152,1057 11.162,1058 3.414,1059 17.49,1060 8.852,1061 13.387,1062 1.201,1063 16.509,1064 3.586,1065 10.408,1066 12.806,1067 4.194,1068 19.955,1069 10.067,1070 3.264,1071 1,1072 18.315,1073 3.001,1074 11.369,1075 14.102,1076 4.466,1077 22.214,1078 10.978,1079 2.882,1080 11.414,1081 20.135,1082 2.275,1083 12.542,1084 15.663,1085 5.124,1086 24.633,1087 12.108,1088 2.851,1089 9.109,1090 21.966,1091 4.627,1092 13.594,1093 17.07,1094 5.504,1095 26.977,1096 13.108,1097 2.79,1098 8.944,1099 23.806,1100 3.795,1101 14.739,1102 18.599,1103 6.095,1104 29.389,1105 14.207,1106 2.599,1107 8.669,1108 25.656,1109 3.772,1110 15.838,1111 20.064,1112 6.531,1113 31.775,1114 15.252,1115 2.459,1116 7.726,1117 27.512,1118 3.322,1119 16.979,1120 21.584,1121 7.085,1122 34.191,1123 16.343,1124 2.36,1125 7.594,1126 29.376,1127 3.198,1128 18.103,1129 23.079,1130 7.551,1131 36.598,1132 17.413,1133 30149,1134 48239,1135 31.035,1136 48.552,1137 70.037,1138 71.544,1139 71.397,1140 69.446,1141 69.458,1142 88.139,1143 9.886,1144 203.632,1145 66.653,1146 5.675,1147 5.57,1148 6.387,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 20.842,1156 1.523,1157 1.555,1158 1.552,1159 1.51,1160 1.51,1161 1.916,1162 0.215,1163 4.427,1164 1.449,1165 4.134,1166 4.184,1167 4.109,1168 3.979,1169 7.432,1170 4.003,1171 3.952,1172 3.985,1173 3.903,1174 3.858,1175 7.428,1176 3.863,1177 3.9,1178 3.941,1179 3.826,1180 3.797,1181 5.137,1182 3.801,1183 3.87,1184 3.907,1185 3.791,1186 3.716,1187 4.762,1188 3.726,1189 3.599,1190 3.69,1191 3.509,1192 3.303,1193 4.716,1194 3.34,1195 3.493,1196 3.567,1197 3.399,1198 3.282,1199 4.67,1200 3.287,1201 3.41,1202 3.465,1203 3.305,1204 3.161,1205 4.484,1206 3.192,1207 3.206,1208 3.299,1209 3.091,1210 2.997,1211 4.373,1212 3.013,1213 0.102,1214 0.078,1215 0.149,1216 0.092,1217 0.071,1218 4.675,1219 0.101,1220 3.57,1221 0.036,1222 6.845,1223 0.248,1224 4.211,1225 0.067,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.031,1234 2.086,1235 1.255,1236 2.066,1237 1.907,1238 1.882,1239 2.003,1240 2.022,1241 1.224,1242 2.015,1243 1.792,1244 1.754,1245 1.907,1246 1.942,1247 1.113,1248 1.937,1249 1.619,1250 1.557,1251 1.86,1252 1.875,1253 1.091,1254 1.864,1255 1.604,1256 1.543,1257 1.85,1258 1.816,1259 1.042,1260 1.807,1261 1.51,1262 1.444,1263 1.778,1264 1.76,1265 0.835,1266 1.798,1267 1.498,1268 1.405,1269 1.681,1270 1.72,1271 0.826,1272 1.71,1273 1.294,1274 1.247,1275 1.417,1276 1.577,1277 0.496,1278 1.535,1279 4.533,1281 5.878,1282 3.045,1283 7.403,1284 5.416,1285 9.012,1286 7.506,1287 10.67,1289 5.526,1295 4.486,1296 8.311,1297 6.049,1299 0.473,1300 3.882,1305 46.659,1306 118.869,1307 289.222,1308 359.725,1309 377.235,1310 385.235,1311 391.235,1312 71.211,1313 9.101,1314 129.54,1315 129.54,1316 34,1317 13.063,1318 4.644,1319 3.807,1320 59.874,1321 244,1322 266,1323 0.117,1324 282.597,1325 486.19,1326 681.296,1327 144117,1329 28.509,1330 0.695,1331 0.568,1332 28.509,1333 23.294,1334 19.856,1335 0.432,1336 0.299,1337 13.523,1338 18.904,1339 13.197,1340 10.927,1341 19.856,1342 13.768,1343 18.49,1344 0.28,1345 0.159,1346 18.49,1347 10.5,1348 15.347,1349 0.174,1350 0.082,1351 15.347,1352 7.25,1353 13.454,1354 0.112,1355 0.044,1356 13.454,1357 5.298,1358 10.595,1359 0.069,1360 0.024,1361 10.595,1362 3.602,1363 0.191,1364 125.532,1365 0.18,1366 37.286,1367 0.303,1368 224,1369 652.076,1370 251.203,1371 626.442,1372 868.12,1373 588,1374 266,1375 659.246,1376 294.54,1377 661.41,1378 971.84,1379 622,1380 6.963}
{0 CHEMBL578453,1 1.468,2 12.865,3 3.957,4 15.659,5 144.85,6 7.26,7 0.605,8 4.341,9 4.469,10 3.915,11 3.878,12 5.334,13 3.86,14 4.923,15 5.106,16 4.287,17 4.307,18 5.853,19 4.268,20 5.184,21 5.413,22 4.332,23 4.454,24 6.033,25 4.374,26 5.248,27 5.501,28 4.328,29 4.471,30 6.093,31 4.377,32 5.221,33 5.464,34 4.338,35 4.472,36 6.09,37 4.383,38 5.221,39 5.454,40 4.345,41 4.478,42 6.082,43 4.398,44 5.229,45 5.46,46 4.339,47 4.481,48 6.09,49 4.395,50 5.246,51 5.476,52 4.274,53 4.528,54 6.053,55 4.411,56 0.062,57 1.086,58 14.604,59 5.956,60 9.115,61 8.19,62 0.326,63 1.826,64 28.822,65 9.925,66 24.74,67 13.989,68 0.413,69 2.233,70 39.39,71 13.31,72 33.597,73 19.524,74 0.504,75 2.366,76 42.873,77 14.236,78 39.973,79 21.249,80 0.442,81 2.307,82 41.246,83 14.003,84 43.226,85 20.794,86 0.394,87 2.337,88 40.809,89 13.164,90 37.962,91 19.57,92 0.587,93 2.32,94 41.41,95 13.528,96 43.353,97 19.942,98 0.366,99 2.329,100 41.452,101 15.509,102 34.852,103 22.3,105 61,106 0.228,107 0.572,108 0.738,109 0.812,110 0.831,111 0.831,112 3.643,113 0.924,114 -5.37,115 -5.25,116 -4.91,119 42.6,121 2,125 7,127 1,142 9,143 4,145 1,147 1,149 1,151 1,152 1,161 1,166 1,172 11,174 3,175 12,180 3,183 12,186 2,187 8,192 2,195 7,198 6,199 10,204 1,207 6,211 2,212 9,215 2,220 6,223 1,224 12,232 8,236 3,237 8,240 2,242 1,245 7,249 2,250 9,253 1,258 5,263 11,268 2,271 4,275 2791,276 26.154,277 26.154,278 26.154,279 26.154,280 26.154,281 23.236,282 27.006,283 15.562,284 26.781,285 21.322,286 21.322,287 21.322,288 21.322,289 21.322,290 16.898,291 38.09,292 7.446,293 22.349,294 4.619,295 2.401,296 1.331,297 0.853,298 0.735,299 0.735,300 4.376,305 1,306 1093,307 2.646,310 156.164,311 520.856,314 284.827,318 2.053,319 22.584,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78.5,331 476,332 4.712,333 3.387,334 6.915,335 4.256,336 3.304,337 4.663,338 0.916,339 11.66,340 3.155,341 4.527,342 3.107,343 6.67,344 4.065,345 3.084,346 4.461,347 0.86,348 10.758,349 3.017,350 4.022,351 3.067,352 6.319,353 3.773,354 2.832,355 3.458,356 0.8,357 9.55,358 2.671,359 3.931,360 2.947,361 5.752,362 3.606,363 2.649,364 3.43,365 0.172,366 7.79,367 2.547,368 3.787,369 2.569,370 5.632,371 3.384,372 2.435,373 3.216,375 7.707,376 2.304,377 3.523,378 2.416,379 5.514,380 3.296,381 2.329,382 2.606,384 7.092,385 2.238,386 3.258,387 2.328,388 5.044,389 3.04,390 2.096,391 2.353,393 6.051,394 1.969,395 3.054,396 2.118,397 4.749,398 2.654,399 1.734,400 2.327,402 4.821,403 1.593,404 3.037,405 1.58,406 4.645,407 2.546,408 1.554,409 2.302,411 4.617,412 1.543,413 2.941,414 1.554,415 4.087,416 2.49,417 1.537,418 2.046,420 3.588,421 1.458,422 2.818,423 1.537,424 4.057,425 2.415,426 1.427,427 1.913,428 3.225,429 1.406,430 2.554,431 1.487,432 3.767,433 2.153,434 1.255,435 1.575,436 2.994,437 1.12,438 2.5,439 1.256,440 3.587,441 2.063,442 1.115,443 1.5,445 2.91,446 1.052,447 2.5,448 1.126,449 3.44,450 2,451 1,452 1.5,454 2.275,455 1,456 2.391,457 1.077,458 3.414,459 1.984,460 1,461 1.38,463 2.232,464 0.983,465 17.633,466 0.477,467 0.684,468 0.018,469 48.25,470 1.304,471 22.5,472 0.608,473 25.75,474 0.696,475 34.776,476 0.94,477 38.767,478 0.57,479 37.062,480 1.002,481 9.311,482 0.252,483 9.02,484 0.244,487 0.323,493 0.869,494 1.392,495 0.779,496 1.111,497 0.751,498 0.963,499 1.355,500 1.123,501 0.978,502 0.947,503 1.027,504 0.924,505 1.106,506 1.14,507 0.989,508 0.988,509 0.893,510 0.977,511 0.847,512 0.966,513 0.939,514 0.921,515 0.984,516 0.928,517 0.854,518 1.052,519 0.935,520 0.966,521 1.115,522 0.953,523 1.197,524 1.122,525 1.075,526 1.01,527 1.285,528 1.012,529 1.108,530 1.011,531 1.089,532 0.985,533 1.123,534 1.018,535 0.849,536 1.049,537 1.115,538 1.155,539 0.896,540 1.161,541 5,542 0.159,543 3.778,544 1.91,545 1.537,546 1.185,547 0.976,548 0.591,549 0.292,550 0.22,551 22807,552 49268,553 2.281,554 45.6,556 24,557 1,558 1,559 1,562 4,564 1.785,565 2.242,566 3.577,567 -0.392,573 99.834,574 1.468,575 3.686,576 4.756,577 5.235,578 5.352,579 5.352,580 3.04,581 4.777,582 5.175,583 3.812,584 2538.85,585 9.134,586 40289,591 413.947,592 0.909,593 5.181,594 0.116,595 0.005,596 0.062,597 0.031,598 0.025,599 0.019,600 0.016,601 0.01,602 0.005,603 0.005,604 0.293,605 0.17,606 0.75,608 201.657,609 0.065,610 -0.205,611 0.098,612 -0.081,613 0.095,614 -0.004,615 -0.089,616 0.008,617 -0.024,618 0.022,619 -0.019,620 0.005,621 -0.044,622 -0.097,623 -0.014,624 -0.018,625 0.057,626 -0.016,627 0.074,628 0.069,629 0.046,630 0.033,631 0.048,632 0.034,633 0.067,634 -0.016,635 0.041,636 0.001,637 -0.024,638 0.015,639 -0.144,640 -0.049,641 -0.098,642 -0.063,643 -0.217,644 -0.069,645 0.022,646 0.052,647 -0.107,648 -0.034,649 -0.068,650 -0.075,651 -0.031,652 -0.029,653 -0.166,654 -0.152,655 -0.054,656 -0.17,657 1.007,658 2.157,659 0.973,660 44.599,661 0.995,662 1.128,663 4.136,664 17.109,665 0.671,666 3.784,667 4.127,668 4.477,669 4.812,670 5.081,671 5.242,672 5.509,673 5.743,674 5.908,675 6.089,676 7.631,677 0.635,678 493.67,679 3.784,680 5.342,681 6.225,682 7.122,683 8.021,684 8.928,685 9.835,686 10.748,687 11.662,688 12.579,689 10.3,692 1,695 1,697 2,699 3,703 4,704 11,705 3,706 1,709 4,710 1,711 26,726 1,731 68,733 26,734 2,735 43,737 74,738 29,739 19,740 4,741 8,746 7,747 9,755 3,758 3,761 19,762 10,781 31,782 6,783 1,784 8,790 7,794 0.714,795 1,803 1,806 1,807 1,811 2,812 5,815 2,836 1,839 1,840 5,848 37,854 9,856 1,858 1,859 2,870 1.5,874 1,877 16.5,878 12.117,879 7.972,880 4.334,881 4.684,882 1.514,883 1.052,884 6.131,885 13.789,886 4.043,887 4.673,888 5.344,889 6.009,890 6.562,891 6.992,892 7.54,893 8.061,894 8.427,895 8.898,896 1,897 62,898 13.718,900 5.965,901 7.423,902 27.21,904 23.51,905 1.923,906 71.167,910 353.133,911 148.196,912 75.045,914 11,917 148.196,918 364.133,919 75.045,921 24.782,922 94.334,923 74.72,924 47.703,925 16.243,926 329.591,928 353.133,929 223.241,930 11,933 308.377,934 47.084,935 11,937 57.231,938 113.447,939 50.234,941 353.133,942 86.045,943 148.196,946 353.133,947 44.815,948 111.406,949 16.786,950 61.234,951 353.133,952 86.045,953 148.196,955 0.579,956 0.348,957 0.201,958 0.109,959 33,960 12,961 0.068,962 5,963 2,964 1.111,965 4.806,966 393.269,967 0.111,968 36,969 180.75,974 22.913,975 9.901,976 4.416,977 4.183,978 67.483,979 23.063,980 15.184,981 3.32,984 4.128,985 2.168,986 16.786,987 587.374,988 56,999 67.643,1000 76.68,1001 0.241,1002 0.606,1003 0.781,1004 0.86,1005 0.879,1006 0.879,1007 5.291,1008 1.734,1009 6.196,1010 6.051,1011 4.812,1012 5.361,1013 1.598,1014 7.038,1015 4.723,1016 6.484,1017 1.554,1018 7.762,1019 4.821,1020 4.29,1021 5.121,1022 0.57,1023 7.978,1024 4.159,1025 7.792,1026 1.537,1027 9.432,1028 4.617,1029 6.422,1030 7.615,1031 1.256,1032 11.141,1033 6.25,1034 9.142,1035 1.427,1036 11.168,1037 3.588,1038 6.804,1039 8.33,1040 0.581,1041 12.963,1042 6.592,1043 10.532,1044 1.255,1045 12.947,1046 3.225,1047 8.338,1048 10.234,1049 1.023,1050 15.625,1051 8.088,1052 11.951,1053 1.115,1054 14.756,1055 2.994,1056 9.136,1057 11.39,1058 0.515,1059 17.797,1060 8.847,1061 13.392,1062 1,1063 16.586,1064 2.91,1065 10.433,1066 13.062,1067 0.84,1068 20.299,1069 10.107,1070 3.304,1071 1,1072 18.433,1073 2.275,1074 11.427,1075 14.42,1076 0.441,1077 22.615,1078 11.062,1079 3.084,1080 11.66,1081 20.291,1082 2.232,1083 12.632,1084 15.999,1085 0.689,1086 25.065,1087 12.229,1088 2.832,1089 10.758,1090 22.16,1091 4.663,1092 13.717,1093 17.449,1094 0.373,1095 27.445,1096 13.275,1097 2.649,1098 9.55,1099 24.036,1100 4.461,1101 14.891,1102 18.992,1103 0.564,1104 29.88,1105 14.409,1106 2.435,1107 7.79,1108 25.918,1109 3.458,1110 16.019,1111 20.483,1112 0.314,1113 32.288,1114 15.497,1115 2.329,1116 7.707,1117 27.806,1118 3.43,1119 17.184,1120 22.014,1121 0.461,1122 34.72,1123 16.622,1124 2.096,1125 7.092,1126 29.698,1127 3.216,1128 18.334,1129 23.523,1130 0.264,1131 37.143,1132 17.731,1133 20325,1134 30065,1135 30.512,1136 45.631,1137 65.567,1138 65.458,1139 65.507,1140 65.295,1141 65.242,1142 84.841,1143 5.498,1144 189.827,1145 62.314,1146 5.712,1147 5.387,1148 6.717,1149 5.36,1150 5.304,1151 7.663,1152 1.776,1153 19.209,1154 5.155,1156 1.525,1157 1.522,1158 1.523,1159 1.518,1160 1.517,1161 1.973,1162 0.128,1163 4.415,1164 1.449,1165 4.18,1166 4.224,1167 4.152,1168 4.067,1169 5.147,1170 4.08,1171 4.049,1172 4.094,1173 4.01,1174 3.91,1175 4.949,1176 3.93,1177 3.927,1178 3.968,1179 3.851,1180 3.848,1181 4.755,1182 3.846,1183 3.786,1184 3.844,1185 3.679,1186 3.63,1187 4.629,1188 3.631,1189 3.694,1190 3.753,1191 3.577,1192 3.484,1193 4.535,1194 3.499,1195 3.427,1196 3.488,1197 3.349,1198 3.285,1199 4.277,1200 3.289,1201 3.273,1202 3.343,1203 3.18,1204 3.086,1205 4.237,1206 3.097,1207 3.147,1208 3.213,1209 3.031,1210 3.005,1211 3.997,1212 3.007,1213 0.11,1214 0.079,1215 0.161,1216 0.099,1217 0.077,1218 4.712,1219 0.108,1220 3.387,1221 0.021,1222 6.915,1223 0.271,1224 4.256,1225 0.073,1226 3.304,1227 4.663,1228 0.916,1229 11.66,1230 3.155,1231 1.982,1232 1.956,1233 2.083,1234 2.111,1235 1.427,1236 2.098,1237 1.928,1238 1.893,1239 2.04,1240 2.051,1241 1.225,1242 2.053,1243 1.836,1244 1.793,1245 1.989,1246 1.97,1247 1.169,1248 1.972,1249 1.773,1250 1.721,1251 1.934,1252 1.95,1253 1.139,1254 1.956,1255 1.586,1256 1.535,1257 1.726,1258 1.795,1259 0.887,1260 1.779,1261 1.478,1262 1.419,1263 1.647,1264 1.677,1265 0.825,1266 1.674,1267 1.316,1268 1.236,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.729,1278 1.429,1279 4.466,1281 5.802,1282 3.045,1283 7.343,1284 5.352,1285 8.976,1286 7.434,1287 10.658,1295 8.292,1297 5.634,1299 0.327,1300 4.868,1305 43.186,1306 99.834,1307 250.654,1308 323.418,1309 355.947,1310 363.947,1311 363.947,1312 45.601,1313 9.105,1314 75.1,1315 75.1,1316 40,1317 13.091,1318 4.755,1319 3.807,1320 46.632,1321 163,1322 209,1323 0.134,1324 256.55,1325 425.99,1326 617.741,1327 128884,1329 24.606,1330 0.665,1331 0.564,1332 24.606,1333 20.884,1334 18.332,1335 0.426,1336 0.308,1337 13.055,1338 17.645,1339 12.846,1340 10.512,1341 18.332,1342 13.241,1343 16.332,1344 0.268,1345 0.164,1346 16.332,1347 10.034,1348 14.762,1349 0.17,1350 0.089,1351 14.762,1352 7.732,1353 13.17,1354 0.108,1355 0.047,1356 13.17,1357 5.759,1358 10.972,1359 0.069,1360 0.026,1361 10.972,1362 4.103,1363 0.209,1364 114.439,1365 0.181,1366 33.468,1367 0.372,1368 208,1369 509.939,1370 225.838,1371 497.108,1372 712.12,1373 474,1374 252,1375 551.338,1376 272.892,1377 556.726,1378 829.43,1379 528,1380 6.623}
{0 CHEMBL578645,1 1.626,2 14.579,3 1.797,4 3.229,5 141.197,6 7.259,7 0.381,8 4.386,9 4.518,10 3.933,11 3.816,12 5.434,13 3.819,14 4.973,15 5.169,16 4.295,17 4.212,18 6.028,19 4.19,20 5.213,21 5.448,22 4.36,23 4.364,24 6.166,25 4.319,26 5.248,27 5.475,28 4.38,29 4.387,30 6.312,31 4.345,32 5.233,33 5.449,34 4.347,35 4.417,36 6.272,37 4.363,38 5.232,39 5.455,40 4.344,41 4.451,42 6.173,43 4.373,44 5.276,45 5.521,46 4.307,47 4.446,48 6.199,49 4.354,50 5.262,51 5.507,52 4.254,53 4.43,54 6.201,55 4.314,56 0.101,57 1.119,58 15.81,59 5.83,60 8.924,61 8.429,62 0.767,63 1.739,64 32.118,65 9.426,66 51.791,67 14.34,68 0.719,69 2.059,70 42.399,71 11.476,72 54.69,73 18.334,74 0.87,75 2.115,76 43.956,77 11.884,78 82.99,79 18.312,80 0.832,81 2.115,82 42.894,83 12.165,84 90.252,85 18.541,86 0.667,87 2.204,88 41.665,89 12.949,90 51.905,91 20.047,92 0.783,93 2.177,94 44.712,95 13.477,96 61.581,97 21.287,98 0.707,99 2.08,100 43.961,101 15.411,102 70.63,103 22.802,104 30,105 58,106 0.253,107 0.579,108 0.761,109 0.827,110 0.827,111 0.827,112 3.668,113 0.944,114 -3.9,115 -3.86,116 -3.66,119 36.1,120 2,121 2,125 8,127 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 4,174 6,175 12,178 2,179 1,180 3,183 5,186 2,187 6,192 2,195 2,198 6,199 17,204 4,207 3,211 2,212 8,217 2,220 2,223 3,224 12,227 2,229 1,232 8,236 5,237 3,245 6,249 6,250 6,253 4,255 1,258 5,263 7,266 1,275 3160,276 26.239,277 26.239,278 26.239,279 26.239,280 26.239,281 24.221,282 36.386,283 15.743,284 27.153,285 20.693,286 20.693,287 20.693,288 20.693,289 20.693,290 17.378,291 46.981,292 7.335,293 21.999,294 4.544,295 2.449,296 1.281,297 0.854,298 0.854,299 0.854,300 4.375,306 1191,307 4,310 92.863,311 464.708,314 166.652,318 2.249,319 40.437,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 84,331 554,332 4.693,333 3.768,334 6.903,335 4.237,336 3.289,337 4.638,338 2.208,339 11.617,340 3.12,341 4.185,342 3.545,343 6.331,344 3.839,345 2.89,346 3.796,347 1.656,348 9.602,349 2.763,350 4.016,351 3.377,352 6.107,353 3.749,354 2.785,355 3.37,356 0.86,357 8.931,358 2.665,359 3.916,360 3.029,361 6.018,362 3.636,363 2.711,364 3.163,365 0.8,366 8.54,367 2.496,368 3.819,369 2.822,370 5.563,371 3.492,372 2.532,373 3.098,374 0.655,375 7.351,376 2.423,377 3.474,378 2.551,379 5.47,380 3.222,381 2.267,382 2.704,383 0.247,384 7.091,385 2.152,386 3.404,387 2.398,388 4.822,389 3.056,390 2.075,391 2.5,392 0.13,393 5.493,394 2.023,395 3,396 2.307,397 4.787,398 2.731,399 1.807,400 2.168,402 4.945,403 1.663,404 2.96,405 2.081,406 4.418,407 2.458,408 1.556,409 2.052,411 4.277,412 1.418,413 2.721,414 1.802,415 4.279,416 2.442,417 1.495,418 1.746,420 3.918,421 1.386,422 2.503,423 1.536,424 3.999,425 2.138,426 1.247,427 1.5,428 3.05,429 1.103,430 2.5,431 1.527,432 3.76,433 2.051,434 1.108,435 1.5,436 2.875,437 1.039,438 2.35,439 1.51,440 3.425,441 2,442 1.01,443 1.337,445 2.275,446 1,447 2.122,448 1.256,449 3.414,450 1.984,451 1,452 1.077,454 2.275,455 0.983,456 2.067,457 1.111,458 3.414,459 1.976,460 1,461 1,463 2.136,464 0.969,465 17.533,466 0.461,467 0.777,468 0.02,469 44.75,470 1.178,471 18,472 0.474,473 26.75,474 0.704,475 38.453,476 1.012,477 43.067,478 0.598,479 38.309,480 1.008,481 8.699,482 0.229,483 9.868,484 0.26,485 0.095,487 0.325,493 0.805,494 1.669,495 0.79,496 1.336,497 0.58,498 1.094,499 0.884,500 1.133,501 0.898,502 0.97,503 0.544,504 0.939,505 1.067,506 1.128,507 0.914,508 0.908,509 0.821,510 0.876,511 1.226,512 0.988,513 1.048,514 0.916,515 1.373,516 0.935,517 1.283,518 1.063,519 1.114,520 0.94,521 1.549,522 0.984,523 0.779,524 1.173,525 1.055,526 1.135,527 0.686,528 1.135,529 0.687,530 1.051,531 0.995,532 1.05,533 0.484,534 1.062,535 0.46,536 0.984,537 0.913,538 1.186,539 0.442,540 1.148,541 6.5,542 0.388,543 4.444,544 2.16,545 1.685,546 1.587,547 1.074,548 0.557,549 0.359,550 0.357,551 22399,552 59796,553 2.113,554 47.2,556 21,558 1,559 2,561 6,562 4,564 1.792,565 2,566 3.756,567 0.227,573 117.049,574 1.626,575 3.721,576 4.889,577 5.316,578 5.316,579 5.316,580 3.26,581 4.774,582 5.206,583 3.951,584 2777.82,585 9.206,586 46028.4,591 444.235,592 1.324,593 5.189,594 0.155,595 0.009,596 0.077,597 0.035,598 0.027,599 0.026,600 0.018,601 0.01,602 0.007,603 0.008,604 0.37,605 0.33,606 0.63,607 1.289,608 210.694,609 -0.02,610 -0.339,611 0.078,612 -0.17,613 -0.011,614 -0.049,615 0.144,616 0.025,617 0.06,618 0.048,619 0.138,620 0.032,621 -0.106,622 -0.069,623 0.061,624 0.074,625 -0.028,626 0.098,627 -0.15,628 0.089,629 -0.061,630 0.049,631 -0.125,632 0.016,633 -0.224,634 0.022,635 -0.141,636 0.064,637 -0.241,638 -0.011,639 -0.032,640 -0.044,641 -0.129,642 -0.1,643 -0.062,644 -0.129,645 0.045,646 0.018,647 -0.055,648 -0.036,649 0.034,650 -0.056,651 0.208,652 0.041,653 0.015,654 -0.122,655 0.157,656 -0.1,657 1.93,658 5.159,659 0.711,660 54.086,661 1.008,662 1.142,663 2.669,664 7.126,665 0.636,666 3.761,667 4.078,668 4.382,669 4.673,670 4.942,671 5.13,672 5.38,673 5.58,674 5.749,675 5.93,676 8.222,677 0.609,678 522.68,679 3.761,680 5.303,681 6.163,682 7.047,683 7.929,684 8.825,685 9.72,686 10.625,687 11.528,688 12.438,689 11.1,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 72,733 18,734 1,735 42,737 76,738 26,739 11,740 2,741 4,746 5,747 6,751 1,752 2,755 3,758 3,761 13,762 13,766 2,771 2,775 2,781 34,782 11,783 2,784 12,790 8,794 0.8,795 4,803 1,806 1,811 1,812 4,815 1,837 1,839 1,840 4,844 2,848 38,854 10,855 2,856 2,858 1,859 2,870 5.6,873 2,874 1,875 1,877 19,878 13.367,879 8.528,880 4.771,881 3.175,882 1.368,883 0.971,884 8.618,885 11.8,886 3.97,887 4.519,888 5.104,889 5.714,890 6.277,891 6.738,892 7.268,893 7.749,894 8.118,895 8.548,896 1,897 62,898 14.113,900 5.983,901 7.728,902 27.121,904 22.239,905 2.228,906 84.667,910 376.675,911 119.902,912 94.281,914 72.29,917 119.902,918 448.965,919 94.281,920 17.65,921 68.521,922 37.905,923 125.01,924 35.791,925 13.366,926 364.904,928 376.675,929 214.183,930 72.29,933 261.292,934 179.001,935 11,937 98.71,938 62.911,939 50.234,941 376.675,942 166.57,943 119.902,946 376.675,947 55.3,948 72.628,949 36.022,950 122.524,951 376.675,952 166.57,953 119.902,955 0.57,956 0.336,957 0.186,958 0.1,959 27,960 12,961 0.092,962 7,963 1,964 1.074,965 4.761,966 380.665,967 0.074,968 27,969 185.421,974 26.663,975 12.283,976 6.059,977 1.675,978 164.794,979 9.347,980 14.679,984 2.961,985 1.984,986 36.022,987 663.148,988 52,993 24.04,997 -0.508,999 72.61,1000 82.222,1001 0.263,1002 0.603,1003 0.792,1004 0.862,1005 0.862,1006 0.862,1007 5.22,1008 1.807,1009 6.138,1010 5.493,1011 4.762,1012 5.207,1013 2.857,1014 6.959,1015 4.651,1016 6.395,1017 1.556,1018 7.698,1019 4.945,1020 4.29,1021 5.017,1022 2.2,1023 7.881,1024 4.143,1025 7.695,1026 1.495,1027 9.362,1028 4.277,1029 6.358,1030 7.369,1031 3.824,1032 11.009,1033 6.141,1034 9.032,1035 1.247,1036 11.088,1037 3.918,1038 6.746,1039 8.079,1040 3.876,1041 12.79,1042 6.49,1043 10.408,1044 1.108,1045 12.855,1046 3.05,1047 8.249,1048 9.91,1049 5.122,1050 15.43,1051 7.932,1052 11.809,1053 1.01,1054 14.649,1055 2.875,1056 9.034,1057 11.042,1058 5.498,1059 17.569,1060 8.671,1061 13.232,1062 1,1063 16.464,1064 2.275,1065 10.312,1066 12.677,1067 6.553,1068 20.055,1069 9.894,1070 3.289,1071 1,1072 18.295,1073 2.275,1074 11.288,1075 14.015,1076 7.101,1077 22.353,1078 10.819,1079 2.89,1080 11.617,1081 20.137,1082 2.136,1083 12.477,1084 15.576,1085 8.048,1086 24.794,1087 11.957,1088 2.785,1089 9.602,1090 21.99,1091 4.638,1092 13.546,1093 17.014,1094 8.696,1095 27.166,1096 12.974,1097 2.711,1098 8.931,1099 23.851,1100 3.796,1101 14.708,1102 18.549,1103 9.58,1104 29.599,1105 14.084,1106 2.532,1107 8.54,1108 25.72,1109 3.37,1110 15.824,1111 20.035,1112 10.287,1113 32.007,1114 15.147,1115 2.267,1116 7.351,1117 27.595,1118 3.163,1119 16.98,1120 21.563,1121 11.134,1122 34.442,1123 16.252,1124 2.075,1125 7.091,1126 29.475,1127 3.098,1128 18.121,1129 23.072,1130 11.875,1131 36.869,1132 17.34,1133 21448,1134 35176,1135 28.433,1136 45.762,1137 63.004,1138 64.675,1139 64.59,1140 62.54,1141 62.517,1142 76.863,1143 13.112,1144 178.567,1145 59.097,1146 5.693,1147 5.768,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 3.912,1153 19.166,1154 5.12,1155 17.818,1156 1.5,1157 1.54,1158 1.538,1159 1.489,1160 1.488,1161 1.83,1162 0.312,1163 4.252,1164 1.407,1165 4.141,1166 4.192,1167 4.116,1168 3.982,1169 7.434,1170 4.008,1171 3.903,1172 3.943,1173 3.846,1174 3.806,1175 7.43,1176 3.811,1177 3.821,1178 3.875,1179 3.731,1180 3.645,1181 5.135,1182 3.654,1183 3.721,1184 3.778,1185 3.612,1186 3.49,1187 4.752,1188 3.509,1189 3.614,1190 3.686,1191 3.513,1192 3.375,1193 4.623,1194 3.39,1195 3.523,1196 3.577,1197 3.387,1198 3.293,1199 4.502,1200 3.3,1201 3.314,1202 3.385,1203 3.208,1204 3.09,1205 4.462,1206 3.114,1207 3.22,1208 3.277,1209 3.08,1210 2.958,1211 4.22,1212 2.99,1213 0.112,1214 0.09,1215 0.164,1216 0.101,1217 0.078,1218 4.693,1219 0.11,1220 3.768,1221 0.053,1222 6.903,1223 0.277,1224 4.237,1225 0.074,1226 3.289,1227 4.638,1228 2.208,1229 11.617,1230 3.12,1231 1.956,1232 1.924,1233 2.049,1234 2.103,1235 1.409,1236 2.085,1237 1.848,1238 1.798,1239 2.013,1240 2.024,1241 1.219,1242 2.022,1243 1.777,1244 1.729,1245 1.933,1246 1.966,1247 1.106,1248 1.959,1249 1.59,1250 1.538,1251 1.844,1252 1.838,1253 0.989,1254 1.832,1255 1.55,1256 1.473,1257 1.803,1258 1.783,1259 0.939,1260 1.779,1261 1.488,1262 1.427,1263 1.717,1264 1.739,1265 0.88,1266 1.748,1267 1.282,1268 1.206,1269 1.513,1270 1.587,1271 0.825,1272 1.549,1273 1.178,1274 1.124,1275 1.513,1276 1.463,1277 0.825,1278 1.443,1279 4.443,1281 5.759,1282 2.398,1283 7.277,1284 4.727,1285 8.888,1286 6.862,1287 10.55,1289 3.688,1295 6.437,1296 5.543,1297 10.738,1299 0.113,1300 3.971,1305 43.879,1306 117.049,1307 267.878,1308 351.996,1309 382.725,1310 382.725,1311 382.725,1312 69.916,1313 8.625,1314 126.74,1315 126.74,1316 29,1317 12.955,1318 4.248,1319 3.459,1320 58.887,1321 180,1322 234,1323 0.156,1324 267.197,1325 463.26,1326 643.721,1327 68933,1329 26.485,1330 0.697,1331 0.575,1332 26.485,1333 21.851,1334 18.567,1335 0.442,1336 0.315,1337 12.957,1338 17.528,1339 12.734,1340 10.474,1341 18.567,1342 13.219,1343 16.214,1344 0.28,1345 0.16,1346 16.214,1347 9.276,1348 13.934,1349 0.176,1350 0.086,1351 13.934,1352 6.819,1353 11.965,1354 0.113,1355 0.046,1356 11.965,1357 4.87,1358 9.548,1359 0.069,1360 0.025,1361 9.548,1362 3.41,1363 0.245,1364 118.287,1365 0.188,1366 34.424,1367 0.427,1368 200,1369 623.479,1370 228.694,1371 583.362,1372 801.36,1373 550,1374 237,1375 595.741,1376 265.869,1377 589.688,1378 874.83,1379 557,1380 6.152}
{0 CHEMBL578661,1 1.561,2 13.763,3 2.527,4 6.384,5 144.138,6 7.51,7 0.5,8 4.352,9 4.479,10 3.946,11 3.861,12 5.382,13 3.858,14 4.934,15 5.114,16 4.333,17 4.292,18 5.942,19 4.268,20 5.196,21 5.419,22 4.361,23 4.44,24 6.116,25 4.374,26 5.253,27 5.509,28 4.322,29 4.446,30 6.129,31 4.357,32 5.205,33 5.443,34 4.34,35 4.444,36 6.119,37 4.365,38 5.207,39 5.434,40 4.357,41 4.449,42 6.12,43 4.379,44 5.224,45 5.456,46 4.325,47 4.444,48 6.158,49 4.36,50 5.219,51 5.455,52 4.27,53 4.453,54 6.055,55 4.347,56 0.059,57 1.116,58 14.029,59 5.699,60 8.479,61 7.732,62 0.447,63 1.846,64 28.306,65 9.647,66 33.588,67 13.513,68 0.485,69 2.227,70 39.307,71 12.804,72 43.76,73 18.658,74 0.568,75 2.314,76 43.145,77 13.82,78 48.49,79 20.734,80 0.481,81 2.215,82 40.265,83 13.677,84 50.252,85 20.048,86 0.457,87 2.288,88 39.389,89 12.647,90 42.897,91 18.665,92 0.712,93 2.25,94 40.884,95 13.078,96 62.114,97 19.349,98 0.404,99 2.218,100 40.336,101 14.751,102 38.143,103 21.285,104 2,105 63,106 0.243,107 0.597,108 0.749,109 0.817,110 0.828,111 0.833,112 3.668,113 0.905,114 -4.78,115 -4.69,116 -4.41,119 41.2,121 2,125 7,127 1,142 8,143 3,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 9,174 3,175 12,178 2,179 1,180 2,183 9,186 2,187 8,192 4,195 4,198 6,199 10,204 2,207 5,211 2,212 9,215 2,220 6,223 1,224 10,227 2,232 7,236 5,237 5,240 2,242 1,245 6,249 2,250 8,253 3,255 1,258 3,262 2,263 11,266 1,268 2,271 2,275 3074,276 26.549,277 26.549,278 26.549,279 26.549,280 26.549,281 23.909,282 36.685,283 15.685,284 27.204,285 21.822,286 21.822,287 21.822,288 21.822,289 21.822,290 17.697,291 53.492,292 7.561,293 22.894,294 4.527,295 2.254,296 1.276,297 0.835,298 0.765,299 0.735,300 4.399,305 1,306 1194,307 2.739,310 173.27,311 541.846,314 303.008,318 2.104,319 30.097,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 82,331 523,332 4.695,333 3.615,334 6.903,335 4.24,336 3.291,337 4.639,338 1.656,339 11.618,340 3.124,341 4.365,342 3.38,343 6.344,344 3.993,345 3.024,346 4.006,347 0.916,348 9.732,349 2.927,350 4.043,351 3.077,352 6.296,353 3.783,354 2.842,355 3.46,356 0.86,357 9.532,358 2.681,359 3.936,360 2.949,361 6.007,362 3.608,363 2.649,364 3.449,365 0.8,366 8.623,367 2.555,368 3.898,369 2.904,370 5.636,371 3.583,372 2.625,373 3.255,374 0.247,375 7.741,376 2.51,377 3.525,378 2.606,379 5.516,380 3.316,381 2.352,382 2.613,383 0.172,384 7.112,385 2.249,386 3.384,387 2.475,388 5.044,389 3.048,390 2.104,391 2.595,393 6.052,394 1.977,395 3.255,396 2.355,397 4.821,398 2.932,399 1.934,400 2.345,402 5.375,403 1.912,404 2.962,405 2.12,406 4.745,407 2.653,408 1.734,409 2.151,411 4.82,412 1.593,413 2.931,414 1.71,415 4.509,416 2.493,417 1.534,418 2.041,420 4.501,421 1.47,422 2.873,423 1.579,424 4.341,425 2.418,426 1.45,427 2.006,428 4.048,429 1.407,430 2.816,431 1.517,432 4.083,433 2.41,434 1.427,435 1.905,436 3.225,437 1.389,438 2.529,439 1.486,440 3.761,441 2.152,442 1.25,443 1.539,445 2.992,446 1.119,447 2.5,448 1.256,449 3.587,450 2.041,451 1.094,452 1.5,454 2.877,455 1.03,456 2.387,457 1.117,458 3.426,459 2,460 1,461 1.376,463 2.275,464 1,465 17.867,466 0.47,467 0.807,468 0.021,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 35.345,476 0.93,477 40.333,478 0.593,479 39.428,480 1.038,481 9.611,482 0.253,483 9.098,484 0.239,485 0.019,487 0.347,493 0.824,494 1.446,495 0.751,496 1.129,497 0.589,498 0.957,499 1.03,500 1.125,501 0.924,502 0.96,503 0.617,504 0.93,505 1.065,506 1.168,507 1.013,508 1.022,509 0.857,510 1.009,511 0.758,512 0.927,513 0.933,514 0.918,515 0.624,516 0.933,517 0.788,518 1.025,519 0.905,520 0.974,521 0.889,522 0.955,523 0.974,524 1.141,525 1.064,526 1.065,527 0.763,528 1.062,529 0.865,530 0.989,531 1.079,532 1.008,533 0.652,534 1.054,535 0.659,536 1.064,537 1.003,538 1.168,539 0.556,540 1.142,541 6.5,542 0.255,543 3.778,544 2.201,545 1.822,546 1.355,547 1.001,548 0.537,549 0.407,550 0.371,551 24838,552 59261,553 2.256,554 44.1,556 23,558 1,559 2,562 4,564 1.791,565 2.192,566 3.695,567 0.175,573 106.135,574 1.561,575 3.834,576 4.812,577 5.253,578 5.323,579 5.352,580 3.217,581 4.754,582 5.212,583 3.891,584 2735.32,585 9.208,586 44593.9,591 413.947,592 1.086,593 5.212,594 0.148,595 0.006,596 0.06,597 0.035,598 0.03,599 0.022,600 0.016,601 0.009,602 0.007,603 0.007,604 0.34,605 0.17,606 0.75,607 0.276,608 209.611,609 0.001,610 -0.228,611 0.086,612 -0.087,613 0.012,614 -0.005,615 0.036,616 0.016,617 -0.001,618 0.018,619 0.091,621 -0.093,622 -0.125,623 -0.052,624 -0.044,625 -0.016,626 -0.045,627 0.033,628 0.09,629 0.044,630 0.044,631 0.034,632 0.047,633 0.038,634 -0.01,635 0.056,636 0.018,637 -0.028,638 0.037,639 -0.094,640 -0.068,641 -0.113,642 -0.104,643 -0.09,644 -0.107,645 0.072,646 0.06,647 -0.113,648 -0.045,649 0.046,650 -0.095,651 0.067,652 -0.062,653 -0.058,654 -0.153,655 0.025,656 -0.131,657 1.89,658 4.807,659 0.947,660 48.825,661 1.003,662 1.132,663 3.551,664 12.61,665 0.667,666 3.807,667 4.159,668 4.489,669 4.82,670 5.1,671 5.252,672 5.513,673 5.743,674 5.916,675 6.122,676 7.949,677 0.638,678 510.66,679 3.807,680 5.371,681 6.248,682 7.146,683 8.04,684 8.946,685 9.849,686 10.76,687 11.669,688 12.584,689 11.8,692 1,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 68,733 23,734 2,735 44,737 74,738 28,739 17,740 4,741 8,746 7,747 9,751 1,755 3,758 3,761 18,762 10,766 1,771 1,775 1,781 30,782 9,783 2,784 10,790 8,794 0.714,795 2,803 1,806 1,811 2,812 5,815 2,836 1,839 1,840 5,848 38,854 9,855 2,856 1,858 1,859 2,870 2.9,873 1,874 1,877 17.333,878 12.117,879 8.111,880 4.279,881 4.025,882 1.438,883 1.044,884 6.299,885 13.219,886 4.043,887 4.647,888 5.259,889 5.898,890 6.471,891 6.866,892 7.389,893 7.881,894 8.263,895 8.717,896 1,897 63,898 14.094,900 6.183,901 7.561,902 27.581,904 23.773,905 2.061,906 78.333,910 329.591,911 134.744,912 94.281,914 36.145,917 134.744,918 365.736,919 94.281,921 60.804,922 75.81,923 99.865,924 33.858,925 6.604,926 317.82,928 329.591,929 229.025,930 36.145,933 284.834,934 72.229,935 11,937 76.467,938 99.996,939 50.234,941 329.591,942 130.426,943 134.744,946 329.591,947 49.887,948 92.883,949 36.022,950 86.379,951 329.591,952 130.426,953 134.744,955 0.584,956 0.344,957 0.196,958 0.11,959 34,960 13,961 0.068,962 5,963 2,964 1.111,965 4.898,966 403.78,967 0.111,968 36,969 187.421,974 23.743,975 10.081,976 4.708,977 1.833,978 128.649,979 18.365,980 14.93,984 5.234,985 2.112,986 36.022,987 594.761,988 56,993 11.807,997 -0.223,999 68.189,1000 76.972,1001 0.256,1002 0.63,1003 0.79,1004 0.863,1005 0.874,1006 0.879,1007 5.306,1008 1.934,1009 6.229,1010 6.052,1011 4.844,1012 5.335,1013 2.277,1014 7.062,1015 4.753,1016 6.496,1017 1.734,1018 7.791,1019 5.375,1020 4.369,1021 5.112,1022 1.404,1023 7.966,1024 4.237,1025 7.802,1026 1.534,1027 9.453,1028 4.82,1029 6.454,1030 7.526,1031 2.617,1032 11.11,1033 6.272,1034 9.143,1035 1.45,1036 11.177,1037 4.501,1038 6.836,1039 8.192,1040 2.398,1041 12.88,1042 6.608,1043 10.522,1044 1.427,1045 12.94,1046 4.048,1047 8.354,1048 10.068,1049 3.311,1050 15.527,1051 8.081,1052 11.926,1053 1.25,1054 14.732,1055 3.225,1056 9.139,1057 11.164,1058 3.429,1059 17.659,1060 8.816,1061 13.351,1062 1.094,1063 16.544,1064 2.992,1065 10.427,1066 12.821,1067 4.176,1068 20.143,1069 10.06,1070 3.291,1071 1,1072 18.373,1073 2.877,1074 11.405,1075 14.132,1076 4.471,1077 22.435,1078 10.986,1079 3.024,1080 11.618,1081 20.214,1082 2.275,1083 12.601,1084 15.7,1085 5.117,1086 24.871,1087 12.137,1088 2.842,1089 9.732,1090 22.066,1091 4.639,1092 13.672,1093 17.117,1094 5.506,1095 27.236,1096 13.156,1097 2.649,1098 9.532,1099 23.926,1100 4.006,1101 14.837,1102 18.651,1103 6.093,1104 29.662,1105 14.274,1106 2.625,1107 8.623,1108 25.793,1109 3.46,1110 15.953,1111 20.122,1112 6.532,1113 32.064,1114 15.338,1115 2.352,1116 7.741,1117 27.666,1118 3.449,1119 17.11,1120 21.645,1121 7.084,1122 34.493,1123 16.447,1124 2.104,1125 7.112,1126 29.545,1127 3.255,1128 18.25,1129 23.143,1130 7.551,1131 36.914,1132 17.535,1133 22207,1134 34557,1135 30.917,1136 45.33,1137 67.137,1138 68.191,1139 67.394,1140 66.994,1141 67.003,1142 84.706,1143 9.304,1144 195.979,1145 63.963,1146 5.695,1147 5.615,1148 6.705,1149 5.343,1150 5.291,1151 7.639,1152 2.912,1153 19.166,1154 5.124,1155 8.751,1156 1.526,1157 1.55,1158 1.532,1159 1.523,1160 1.523,1161 1.925,1162 0.211,1163 4.454,1164 1.454,1165 4.147,1166 4.198,1167 4.122,1168 3.994,1169 7.431,1170 4.018,1171 3.956,1172 3.996,1173 3.914,1174 3.858,1175 5.135,1176 3.857,1177 3.925,1178 3.966,1179 3.851,1180 3.827,1181 4.767,1182 3.838,1183 3.785,1184 3.843,1185 3.679,1186 3.628,1187 4.754,1188 3.63,1189 3.695,1190 3.753,1191 3.578,1192 3.484,1193 4.624,1194 3.499,1195 3.442,1196 3.491,1197 3.399,1198 3.208,1199 4.498,1200 3.251,1201 3.245,1202 3.312,1203 3.151,1204 3.062,1205 4.255,1206 3.064,1207 3.111,1208 3.206,1209 2.994,1210 2.941,1211 4.027,1212 2.91,1213 0.107,1214 0.082,1215 0.157,1216 0.096,1217 0.075,1218 4.695,1219 0.105,1220 3.615,1221 0.038,1222 6.903,1223 0.264,1224 4.24,1225 0.071,1226 3.291,1227 4.639,1228 1.656,1229 11.618,1230 3.124,1231 1.951,1232 1.917,1233 2.082,1234 2.104,1235 1.426,1236 2.093,1237 1.922,1238 1.89,1239 2.013,1240 2.043,1241 1.22,1242 2.04,1243 1.821,1244 1.776,1245 1.98,1246 1.95,1247 1.14,1248 1.962,1249 1.765,1250 1.716,1251 1.923,1252 1.939,1253 1.107,1254 1.938,1255 1.579,1256 1.531,1257 1.712,1258 1.772,1259 0.882,1260 1.758,1261 1.316,1262 1.238,1263 1.514,1264 1.628,1265 0.825,1266 1.57,1267 1.27,1268 1.221,1269 1.513,1270 1.6,1271 0.825,1272 1.558,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.728,1278 1.429,1279 4.489,1281 5.832,1282 3.045,1283 7.371,1284 5.416,1285 8.997,1286 7.526,1287 10.67,1295 7.955,1296 5.652,1297 5.604,1299 0.281,1300 4.784,1305 43.396,1306 106.135,1307 260.708,1308 327.193,1309 357.193,1310 361.947,1311 363.947,1312 51.81,1313 9.194,1314 107.96,1315 107.96,1316 40,1317 13.097,1318 4.585,1319 3.7,1320 48.463,1321 174,1322 219,1323 0.13,1324 257.748,1325 439.38,1326 620.664,1327 143329,1329 25.476,1330 0.67,1331 0.556,1332 25.476,1333 21.137,1334 18.709,1335 0.425,1336 0.302,1337 13.063,1338 17.898,1339 12.877,1340 10.521,1341 18.709,1342 13.278,1343 17.053,1344 0.271,1345 0.161,1346 17.053,1347 10.129,1348 15.034,1349 0.171,1350 0.087,1351 15.034,1352 7.67,1353 13.323,1354 0.108,1355 0.046,1356 13.323,1357 5.659,1358 11.266,1359 0.069,1360 0.025,1361 11.266,1362 4.081,1363 0.204,1364 117.641,1365 0.18,1366 34.331,1367 0.358,1368 214,1369 574.007,1370 236.605,1371 553.354,1372 779.32,1373 524,1374 258,1375 595.509,1376 282.746,1377 598.327,1378 889.38,1379 566,1380 5.357}
{0 CHEMBL580212,1 1.547,2 14.902,3 2.148,4 4.613,5 155.143,6 7.286,7 0.468,8 4.45,9 4.583,10 4.016,11 3.945,12 5.467,13 3.936,14 5.043,15 5.232,16 4.402,17 4.377,18 6.022,19 4.346,20 5.327,21 5.554,22 4.435,23 4.534,24 6.226,25 4.46,26 5.379,27 5.646,28 4.381,29 4.526,30 6.259,31 4.432,32 5.287,33 5.524,34 4.425,35 4.532,36 6.196,37 4.453,38 5.314,39 5.541,40 4.444,41 4.561,42 6.23,43 4.487,44 5.331,45 5.562,46 4.416,47 4.559,48 6.214,49 4.471,50 5.342,51 5.591,52 4.331,53 4.552,54 6.212,55 4.435,56 0.049,57 1.239,58 16.435,59 6.394,60 11.758,61 9.024,62 0.451,63 2.023,64 32.893,65 10.773,66 37.8,67 15.72,68 0.545,69 2.454,70 46.19,71 14.498,72 53.71,73 21.699,74 0.74,75 2.514,76 50.481,77 14.991,78 66.706,79 23.141,80 0.418,81 2.391,82 44.066,83 14.7,84 52.658,85 22.156,86 0.527,87 2.513,88 44.83,89 13.918,90 54.947,91 21.08,92 0.545,93 2.501,94 45.798,95 14.592,96 51.101,97 22.273,98 0.666,99 2.442,100 47.204,101 16.234,102 65.16,103 24.032,104 8,105 67,106 0.236,107 0.585,108 0.77,109 0.835,110 0.835,111 0.835,112 3.742,113 0.925,114 -4.45,115 -4.37,116 -4.12,119 39.5,121 4,124 1,125 5,127 3,142 6,143 3,144 1,145 3,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 16,178 2,179 1,180 2,183 6,186 2,187 10,192 2,195 2,198 7,199 11,204 3,207 5,211 2,212 10,217 2,220 6,223 1,224 15,227 2,229 1,232 6,236 3,237 11,245 6,249 5,250 6,253 4,255 1,258 9,262 1,263 8,266 1,271 9,275 3941,276 28.521,277 28.521,278 28.521,279 28.521,280 28.521,281 25.882,282 37.723,283 16.732,284 29.22,285 23.228,286 23.228,287 23.228,288 23.228,289 23.228,290 19.13,291 53.167,292 8.006,293 24.366,294 4.701,295 2.416,296 1.198,297 0.773,298 0.773,299 0.773,300 4.468,306 1373,307 3.536,310 191.503,311 622.733,312 127.458,314 173.914,318 2.246,319 32.518,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 88.5,331 611,332 4.695,333 3.54,334 6.906,335 4.243,336 3.295,337 4.638,338 1.656,339 11.631,340 3.124,341 4.185,342 3.416,343 6.35,344 3.865,345 2.932,346 3.796,347 0.916,348 9.704,349 2.761,350 4.041,351 3.204,352 6.114,353 3.799,354 2.831,355 3.457,356 0.86,357 8.983,358 2.718,359 3.935,360 3.02,361 5.781,362 3.654,363 2.697,364 3.376,365 0.8,366 8.111,367 2.579,368 3.837,369 2.867,370 5.586,371 3.542,372 2.584,373 3.166,374 0.247,375 7.688,376 2.475,377 3.723,378 2.766,379 5.465,380 3.457,381 2.493,382 2.806,383 0.172,384 7.313,385 2.397,386 3.463,387 2.472,388 5.413,389 3.226,390 2.282,391 2.685,393 6.807,394 2.141,395 3.45,396 2.409,397 5.033,398 3.034,399 2.054,400 2.55,402 6.007,403 2.003,404 3.162,405 2.203,406 4.879,407 2.942,408 2,409 2.264,411 5.638,412 1.874,413 2.959,414 2.093,415 4.782,416 2.839,417 1.879,418 2.16,420 5.327,421 1.794,422 2.879,423 1.593,424 4.664,425 2.44,426 1.488,427 1.971,428 4.507,429 1.412,430 2.849,431 1.535,432 4.401,433 2.434,434 1.48,435 1.879,436 4.218,437 1.41,438 2.659,439 1.492,440 4.051,441 2.333,442 1.383,443 1.696,445 3.133,446 1.31,447 2.511,448 1.12,449 3.664,450 2.051,451 1.099,452 1.514,454 2.951,455 1.043,456 2.5,457 1.097,458 3.586,459 2,460 1,461 1.5,463 2.275,464 1,465 19.267,466 0.47,467 0.892,468 0.022,469 51.5,470 1.256,471 22.5,472 0.549,473 29,474 0.707,475 41.27,476 1.007,477 44.333,478 0.583,479 42.016,480 1.025,481 9.75,482 0.238,483 10.374,484 0.253,485 0.043,487 0.348,493 0.824,494 1.511,495 0.782,496 1.188,497 0.604,498 1.007,499 1.029,500 1.121,501 0.932,502 0.991,503 0.624,504 0.948,505 1.193,506 1.205,507 1.04,508 1.054,509 0.878,510 1.035,511 0.957,512 0.837,513 0.975,514 0.84,515 0.961,516 0.888,517 0.807,518 1.109,519 0.882,520 0.998,521 0.885,522 0.953,523 1.079,524 1.072,525 1.101,526 1.022,527 0.951,528 1.044,529 0.906,530 1.164,531 1.08,532 1.107,533 0.679,534 1.107,535 0.681,536 0.873,537 1.044,538 1.053,539 0.574,540 1.089,541 8,542 0.333,543 3.778,544 2.069,545 1.831,546 1.448,547 1.011,548 0.64,549 0.468,550 0.366,551 30227,552 71644,553 2.221,554 46.1,556 22,558 3,559 2,561 4,562 4,564 1.81,565 2.139,566 3.787,567 0.161,573 117.582,574 1.547,575 3.832,576 5.05,577 5.475,578 5.475,579 5.475,580 3.322,581 4.772,582 5.318,583 4.006,584 3285.03,585 9.428,586 57426.2,591 474.842,592 1.177,593 5.314,594 0.17,595 0.007,596 0.056,597 0.031,598 0.029,599 0.021,600 0.015,601 0.01,602 0.008,603 0.006,604 0.353,605 0.17,606 0.63,607 0.735,608 232.339,609 0.008,610 -0.255,611 0.087,612 -0.1,613 0.023,614 -0.012,615 0.043,616 0.034,617 0.013,618 0.009,619 0.103,620 0.007,621 -0.112,622 -0.171,623 -0.062,624 -0.063,625 -0.01,626 -0.062,627 -0.024,628 0.173,629 0.02,630 0.107,631 -0.023,632 0.077,633 0.01,634 -0.077,635 0.073,636 0.016,637 -0.024,638 0.049,639 -0.146,640 0.024,641 -0.143,642 -0.046,643 -0.154,644 -0.083,645 -0.03,646 -0.098,647 -0.125,648 -0.116,649 -0.071,650 -0.129,651 0.1,652 0.147,653 -0.088,654 -0.047,655 0.075,656 -0.088,657 1.921,658 4.752,659 0.854,660 60.283,661 1.001,662 1.136,663 3.216,664 10.341,665 0.656,666 3.871,667 4.22,668 4.533,669 4.852,670 5.136,671 5.318,672 5.565,673 5.79,674 6.001,675 6.211,676 8.574,677 0.625,678 553.74,679 3.871,680 5.434,681 6.304,682 7.198,683 8.086,684 8.988,685 9.886,686 10.795,687 11.701,688 12.614,689 11.8,692 1,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 76,733 23,734 1,735 47,737 82,738 30,739 16,740 2,741 4,746 7,747 9,751 1,755 7,758 7,761 17,762 13,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 9,794 0.714,795 2,801 1,803 1,805 1,806 1,811 2,812 5,813 1,815 1,836 1,839 1,840 5,844 1,848 41,854 9,855 2,856 1,858 3,859 2,870 2.6,873 1,874 1,877 19.167,878 13.733,879 8.833,880 4.787,881 3.737,882 1.402,883 1.019,884 7.401,885 13.031,886 4.094,887 4.675,888 5.259,889 5.868,890 6.433,891 6.826,892 7.344,893 7.831,894 8.219,895 8.656,896 1,897 67,898 15.215,900 6.623,901 7.557,902 29.823,904 25.661,905 2.057,906 84.333,910 388.446,911 135.411,912 111.066,914 36.145,917 135.411,918 424.591,919 111.066,920 8.396,921 56.688,922 56.857,923 140.193,924 49.196,925 6.604,926 353.133,928 388.446,929 246.477,930 36.145,933 296.605,934 119.314,935 11,937 90.447,938 86.683,939 67.02,941 388.446,942 147.211,943 135.411,946 388.446,947 43.014,948 100.421,949 36.022,950 103.164,951 388.446,952 147.211,953 135.411,955 0.583,956 0.341,957 0.186,958 0.103,959 35,960 14,961 0.073,962 6,963 3,964 1.143,965 5.127,966 441.243,967 0.171,968 34,969 205.66,974 26.481,975 11.458,976 5.576,977 1.868,978 145.435,979 17.52,980 19.369,984 4.438,985 2.127,986 36.022,987 671.068,988 59,993 11.752,997 -0.255,999 76.058,1000 86.301,1001 0.248,1002 0.613,1003 0.808,1004 0.876,1005 0.876,1006 0.876,1007 5.359,1008 2.054,1009 6.286,1010 6.807,1011 4.905,1012 5.364,1013 2.277,1014 7.107,1015 4.81,1016 6.54,1017 2,1018 7.843,1019 6.007,1020 4.443,1021 5.103,1022 1.404,1023 7.984,1024 4.296,1025 7.837,1026 1.879,1027 9.495,1028 5.638,1029 6.509,1030 7.514,1031 2.617,1032 11.11,1033 6.315,1034 9.167,1035 1.488,1036 11.205,1037 5.327,1038 6.878,1039 8.137,1040 2.398,1041 12.843,1042 6.627,1043 10.531,1044 1.48,1045 12.954,1046 4.507,1047 8.384,1048 10.018,1049 3.311,1050 15.486,1051 8.089,1052 11.921,1053 1.383,1054 14.731,1055 4.218,1056 9.148,1057 11.084,1058 3.429,1059 17.6,1060 8.792,1061 13.331,1062 1.099,1063 16.529,1064 3.133,1065 10.427,1066 12.748,1067 4.176,1068 20.087,1069 10.027,1070 3.295,1071 1,1072 18.345,1073 2.951,1074 11.388,1075 14.046,1076 4.471,1077 22.376,1078 10.927,1079 2.932,1080 11.631,1081 20.175,1082 2.275,1083 12.578,1084 15.62,1085 5.117,1086 24.818,1087 12.068,1088 2.831,1089 9.704,1090 22.017,1091 4.638,1092 13.637,1093 17.035,1094 5.506,1095 27.188,1096 13.069,1097 2.697,1098 8.983,1099 23.869,1100 3.796,1101 14.797,1102 18.575,1103 6.093,1104 29.621,1105 14.178,1106 2.584,1107 8.111,1108 25.731,1109 3.457,1110 15.908,1111 20.049,1112 6.532,1113 32.03,1114 15.23,1115 2.493,1116 7.688,1117 27.601,1118 3.376,1119 17.062,1120 21.578,1121 7.084,1122 34.465,1123 16.332,1124 2.282,1125 7.313,1126 29.477,1127 3.166,1128 18.2,1129 23.081,1130 7.551,1131 36.893,1132 17.413,1133 27445,1134 42415,1135 32.709,1136 49.858,1137 71.197,1138 72.308,1139 71.857,1140 70.806,1141 70.82,1142 88.257,1143 9.304,1144 206.557,1145 67.506,1146 5.695,1147 5.54,1148 6.708,1149 5.35,1150 5.295,1151 7.638,1152 2.912,1153 19.199,1154 5.124,1155 13.274,1156 1.515,1157 1.538,1158 1.529,1159 1.507,1160 1.507,1161 1.878,1162 0.198,1163 4.395,1164 1.436,1165 4.149,1166 4.2,1167 4.121,1168 3.991,1169 7.431,1170 4.016,1171 3.917,1172 3.968,1173 3.847,1174 3.814,1175 5.136,1176 3.817,1177 3.902,1178 3.941,1179 3.833,1180 3.785,1181 4.896,1182 3.791,1183 3.886,1184 3.929,1185 3.799,1186 3.728,1187 4.752,1188 3.737,1189 3.731,1190 3.788,1191 3.629,1192 3.592,1193 4.67,1194 3.592,1195 3.547,1196 3.616,1197 3.467,1198 3.254,1199 4.492,1200 3.298,1201 3.327,1202 3.41,1203 3.25,1204 3.089,1205 4.265,1206 3.113,1207 3.172,1208 3.258,1209 3.055,1210 2.983,1211 4.204,1212 2.987,1213 0.1,1214 0.075,1215 0.147,1216 0.09,1217 0.07,1218 4.695,1219 0.099,1220 3.54,1221 0.035,1222 6.906,1223 0.247,1224 4.243,1225 0.066,1226 3.295,1227 4.638,1228 1.656,1229 11.631,1230 3.124,1231 1.956,1232 1.924,1233 2.068,1234 2.105,1235 1.425,1236 2.091,1237 1.892,1238 1.845,1239 2.021,1240 2.042,1241 1.255,1242 2.039,1243 1.808,1244 1.769,1245 1.94,1246 1.954,1247 1.22,1248 1.949,1249 1.756,1250 1.705,1251 1.896,1252 1.931,1253 1.107,1254 1.928,1255 1.604,1256 1.543,1257 1.86,1258 1.789,1259 1.071,1260 1.798,1261 1.564,1262 1.52,1263 1.713,1264 1.76,1265 0.878,1266 1.766,1267 1.423,1268 1.349,1269 1.682,1270 1.713,1271 0.825,1272 1.705,1273 1.304,1274 1.223,1275 1.513,1276 1.595,1277 0.689,1278 1.562,1279 4.554,1281 5.894,1282 3.045,1283 7.426,1284 5.416,1285 9.043,1286 7.516,1287 10.708,1289 1.597,1295 8.778,1296 5.391,1297 6.129,1299 0.765,1300 4.853,1305 47.471,1306 117.582,1307 291.255,1308 383.823,1309 416.088,1310 416.088,1311 416.088,1312 61.165,1313 9.294,1314 113.33,1315 113.33,1316 40,1317 13.129,1318 4.585,1319 3.7,1320 54.072,1321 201,1322 249,1323 0.125,1324 283.727,1325 484.98,1326 684.053,1327 158407,1329 27.761,1330 0.677,1331 0.567,1332 27.761,1333 23.239,1334 20.124,1335 0.428,1336 0.308,1337 14.255,1338 19.242,1339 14.004,1340 11.487,1341 20.124,1342 14.488,1343 18.291,1344 0.273,1345 0.167,1346 18.291,1347 11.21,1348 16.04,1349 0.174,1350 0.092,1351 16.04,1352 8.437,1353 13.78,1354 0.109,1355 0.05,1356 13.78,1357 6.304,1358 11.599,1359 0.069,1360 0.027,1361 11.599,1362 4.587,1363 0.197,1364 126.597,1365 0.175,1366 36.626,1367 0.342,1368 228,1369 605.653,1370 252.656,1371 583.389,1372 818.33,1373 552,1374 273,1375 623.595,1376 299.88,1377 625.718,1378 925.2,1379 591,1380 6.169}
{0 CHEMBL582922,1 1.468,2 12.865,3 3.957,4 15.659,5 144.85,6 7.26,7 0.605,8 4.341,9 4.469,10 3.915,11 3.878,12 5.334,13 3.86,14 4.923,15 5.106,16 4.287,17 4.307,18 5.853,19 4.268,20 5.184,21 5.413,22 4.334,23 4.452,24 6.034,25 4.372,26 5.25,27 5.505,28 4.331,29 4.468,30 6.099,31 4.374,32 5.221,33 5.464,34 4.337,35 4.469,36 6.087,37 4.381,38 5.222,39 5.456,40 4.348,41 4.477,42 6.085,43 4.396,44 5.23,45 5.462,46 4.343,47 4.471,48 6.094,49 4.388,50 5.25,51 5.484,52 4.272,53 4.521,54 6.056,55 4.408,56 0.062,57 1.086,58 14.604,59 5.956,60 9.115,61 8.19,62 0.326,63 1.826,64 28.822,65 9.925,66 24.574,67 13.989,68 0.406,69 2.234,70 39.369,71 13.299,72 33.595,73 19.525,74 0.564,75 2.376,76 43.081,77 14.221,78 41.64,79 21.187,80 0.391,81 2.305,82 41.191,83 13.843,84 41.892,85 20.676,86 0.446,87 2.344,88 40.931,89 13.231,90 38.377,91 19.599,92 0.563,93 2.328,94 41.514,95 13.262,96 43.857,97 19.707,98 0.39,99 2.34,100 41.878,101 15.029,102 35.279,103 21.79,105 61,106 0.228,107 0.572,108 0.743,109 0.817,110 0.831,111 0.831,112 3.643,113 0.924,114 -5.37,115 -5.25,116 -4.91,119 42.6,121 2,125 7,127 1,142 9,143 4,145 1,147 1,149 1,151 1,152 1,161 1,166 1,172 11,174 3,175 12,180 3,183 12,186 2,187 6,192 2,195 7,198 6,199 10,202 2,204 1,207 6,211 2,212 9,220 5,223 1,224 11,227 2,229 1,232 8,236 3,237 10,240 1,245 6,249 2,250 9,255 2,258 5,263 10,266 1,271 6,275 2791,276 26.154,277 26.154,278 26.154,279 26.154,280 26.154,281 23.236,282 27.006,283 15.562,284 26.777,285 21.322,286 21.322,287 21.322,288 21.322,289 21.322,290 16.898,291 38.09,292 7.446,293 22.344,294 4.619,295 2.401,296 1.302,297 0.824,298 0.735,299 0.735,300 4.376,305 1,306 1093,307 2.646,310 156.164,311 520.856,314 284.827,318 2.053,319 22.703,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78.5,331 476,332 4.712,333 3.387,334 6.915,335 4.256,336 3.304,337 4.663,338 0.916,339 11.66,340 3.149,341 4.527,342 3.107,343 6.67,344 4.061,345 3.084,346 4.461,347 0.86,348 10.758,349 3.008,350 4.022,351 3.067,352 6.319,353 3.773,354 2.832,355 3.458,356 0.8,357 9.55,358 2.671,359 3.931,360 2.947,361 5.752,362 3.606,363 2.649,364 3.43,365 0.172,366 7.79,367 2.547,368 3.787,369 2.569,370 5.632,371 3.392,372 2.435,373 3.216,375 7.707,376 2.33,377 3.523,378 2.416,379 5.514,380 3.299,381 2.329,382 2.606,384 7.092,385 2.243,386 3.258,387 2.328,388 5.044,389 3.04,390 2.096,391 2.353,393 6.051,394 1.97,395 3.054,396 2.118,397 4.749,398 2.654,399 1.734,400 2.327,402 4.821,403 1.594,404 3.037,405 1.58,406 4.645,407 2.529,408 1.554,409 2.302,411 4.617,412 1.513,413 2.941,414 1.554,415 4.087,416 2.496,417 1.537,418 2.046,420 3.588,421 1.468,422 2.818,423 1.537,424 4.057,425 2.415,426 1.427,427 1.913,428 3.225,429 1.406,430 2.554,431 1.487,432 3.767,433 2.153,434 1.255,435 1.575,436 2.994,437 1.12,438 2.5,439 1.256,440 3.587,441 2.063,442 1.115,443 1.5,445 2.91,446 1.052,447 2.5,448 1.126,449 3.44,450 2,451 1,452 1.5,454 2.275,455 1,456 2.391,457 1.077,458 3.414,459 1.984,460 1,461 1.38,463 2.232,464 0.983,465 17.633,466 0.477,467 0.684,468 0.018,469 48.25,470 1.304,471 22.5,472 0.608,473 25.75,474 0.696,475 34.797,476 0.94,477 38.767,478 0.57,479 37.041,480 1.001,481 9.311,482 0.252,483 9.021,484 0.244,487 0.323,493 0.869,494 1.392,495 0.779,496 1.111,497 0.751,498 0.963,499 1.355,500 1.123,501 0.978,502 0.947,503 1.031,504 0.924,505 1.097,506 1.167,507 0.986,508 1.004,509 0.885,510 0.985,511 0.832,512 0.907,513 0.942,514 0.898,515 0.977,516 0.918,517 0.902,518 1.123,519 0.936,520 0.984,521 1.135,522 0.958,523 1.161,524 1.068,525 1.074,526 0.997,527 1.284,528 1.008,529 1.156,530 1.082,531 1.091,532 1.002,533 1.129,534 1.023,535 0.98,536 1.022,537 1.137,538 1.101,539 0.961,540 1.125,541 5,542 0.159,543 3.778,544 1.91,545 1.537,546 1.185,547 0.976,548 0.591,549 0.292,550 0.22,551 22807,552 49172,553 2.281,554 45.6,556 24,557 1,558 1,559 1,562 4,564 1.785,565 2.242,566 3.577,567 -0.392,573 99.834,574 1.468,575 3.686,576 4.786,577 5.264,578 5.352,579 5.352,580 3.04,581 4.777,582 5.175,583 3.812,584 2538.85,585 9.134,586 40289,591 413.947,592 0.909,593 5.181,594 0.116,595 0.005,596 0.062,597 0.031,598 0.025,599 0.019,600 0.016,601 0.01,602 0.005,603 0.005,604 0.293,605 0.17,606 0.75,608 201.657,609 0.065,610 -0.205,611 0.098,612 -0.081,613 0.095,614 -0.004,615 -0.089,616 0.008,617 -0.024,618 0.022,619 -0.023,620 0.005,621 -0.035,622 -0.124,623 -0.01,624 -0.034,625 0.066,626 -0.025,627 0.114,628 0.133,629 0.047,630 0.049,631 0.066,632 0.039,633 0.019,634 -0.088,635 0.039,636 -0.017,637 -0.045,638 0.01,639 -0.094,640 0.008,641 -0.095,642 -0.053,643 -0.21,644 -0.067,645 -0.001,646 -0.016,647 -0.105,648 -0.058,649 -0.063,650 -0.085,651 -0.102,652 0.009,653 -0.18,654 -0.113,655 -0.091,656 -0.145,657 1.008,658 2.15,659 0.973,660 44.599,661 0.995,662 1.128,663 4.136,664 17.109,665 0.671,666 3.784,667 4.127,668 4.477,669 4.812,670 5.081,671 5.242,672 5.509,673 5.743,674 5.908,675 6.089,676 7.631,677 0.635,678 493.67,679 3.784,680 5.342,681 6.225,682 7.122,683 8.021,684 8.928,685 9.835,686 10.748,687 11.662,688 12.579,689 10.3,692 1,695 1,697 2,699 3,703 4,704 11,705 3,706 1,709 4,710 1,711 26,726 1,731 68,733 26,734 2,735 43,737 74,738 29,739 19,740 4,741 8,746 7,747 9,755 3,758 3,761 19,762 10,781 31,782 6,783 1,784 8,790 7,794 0.714,795 1,803 1,806 1,807 1,811 2,812 5,815 2,836 1,839 1,840 5,848 37,854 9,856 1,858 1,859 2,870 1.5,874 1,877 16.5,878 12.117,879 7.972,880 4.334,881 4.684,882 1.514,883 1.052,884 6.131,885 13.789,886 4.043,887 4.673,888 5.344,889 6.009,890 6.562,891 6.992,892 7.54,893 8.061,894 8.427,895 8.898,896 1,897 62,898 13.718,900 5.966,901 7.423,902 27.21,904 23.51,905 1.923,906 71.167,910 353.133,911 148.196,912 75.045,914 11,917 148.196,918 364.133,919 75.045,921 24.782,922 94.334,923 74.72,924 47.703,925 16.243,926 329.591,928 353.133,929 223.241,930 11,933 308.377,934 47.084,935 11,937 57.231,938 113.447,939 50.234,941 353.133,942 86.045,943 148.196,946 353.133,947 44.815,948 111.406,949 16.786,950 61.234,951 353.133,952 86.045,953 148.196,955 0.579,956 0.348,957 0.201,958 0.109,959 33,960 12,961 0.068,962 5,963 2,964 1.111,965 4.806,966 393.269,967 0.111,968 36,969 180.75,974 22.913,975 9.901,976 4.416,977 4.177,978 67.483,979 23.072,980 15.171,981 3.389,984 4.089,985 2.166,986 16.786,987 587.374,988 56,999 67.643,1000 76.68,1001 0.241,1002 0.606,1003 0.786,1004 0.865,1005 0.879,1006 0.879,1007 5.291,1008 1.734,1009 6.196,1010 6.051,1011 4.812,1012 5.361,1013 1.598,1014 7.038,1015 4.723,1016 6.484,1017 1.554,1018 7.762,1019 4.821,1020 4.29,1021 5.121,1022 0.57,1023 7.978,1024 4.159,1025 7.792,1026 1.537,1027 9.432,1028 4.617,1029 6.422,1030 7.615,1031 1.256,1032 11.141,1033 6.249,1034 9.142,1035 1.427,1036 11.168,1037 3.588,1038 6.804,1039 8.33,1040 0.581,1041 12.963,1042 6.589,1043 10.532,1044 1.255,1045 12.947,1046 3.225,1047 8.338,1048 10.234,1049 1.023,1050 15.625,1051 8.084,1052 11.951,1053 1.115,1054 14.756,1055 2.994,1056 9.136,1057 11.39,1058 0.515,1059 17.797,1060 8.84,1061 13.392,1062 1,1063 16.586,1064 2.91,1065 10.433,1066 13.062,1067 0.84,1068 20.299,1069 10.099,1070 3.304,1071 1,1072 18.433,1073 2.275,1074 11.427,1075 14.42,1076 0.441,1077 22.615,1078 11.05,1079 3.084,1080 11.66,1081 20.291,1082 2.232,1083 12.632,1084 15.999,1085 0.689,1086 25.065,1087 12.216,1088 2.832,1089 10.758,1090 22.16,1091 4.663,1092 13.717,1093 17.449,1094 0.373,1095 27.445,1096 13.257,1097 2.649,1098 9.55,1099 24.036,1100 4.461,1101 14.891,1102 18.992,1103 0.564,1104 29.88,1105 14.39,1106 2.435,1107 7.79,1108 25.918,1109 3.458,1110 16.019,1111 20.483,1112 0.314,1113 32.288,1114 15.475,1115 2.329,1116 7.707,1117 27.806,1118 3.43,1119 17.184,1120 22.014,1121 0.461,1122 34.72,1123 16.598,1124 2.096,1125 7.092,1126 29.698,1127 3.216,1128 18.334,1129 23.523,1130 0.264,1131 37.143,1132 17.704,1133 20325,1134 30037,1135 30.512,1136 45.631,1137 65.567,1138 65.458,1139 65.507,1140 65.294,1141 65.242,1142 84.841,1143 5.498,1144 189.827,1145 62.315,1146 5.712,1147 5.387,1148 6.717,1149 5.359,1150 5.304,1151 7.663,1152 1.776,1153 19.209,1154 5.149,1156 1.525,1157 1.522,1158 1.523,1159 1.518,1160 1.517,1161 1.973,1162 0.128,1163 4.415,1164 1.449,1165 4.181,1166 4.225,1167 4.152,1168 4.066,1169 5.148,1170 4.079,1171 4.048,1172 4.093,1173 4.009,1174 3.911,1175 4.946,1176 3.931,1177 3.927,1178 3.968,1179 3.851,1180 3.848,1181 4.755,1182 3.846,1183 3.786,1184 3.844,1185 3.679,1186 3.63,1187 4.628,1188 3.631,1189 3.694,1190 3.752,1191 3.577,1192 3.484,1193 4.529,1194 3.499,1195 3.424,1196 3.483,1197 3.344,1198 3.292,1199 4.284,1200 3.294,1201 3.276,1202 3.348,1203 3.185,1204 3.082,1205 4.244,1206 3.093,1207 3.148,1208 3.216,1209 3.033,1210 3,1211 3.999,1212 3.004,1213 0.11,1214 0.079,1215 0.161,1216 0.099,1217 0.077,1218 4.712,1219 0.108,1220 3.387,1221 0.021,1222 6.915,1223 0.271,1224 4.256,1225 0.073,1226 3.304,1227 4.663,1228 0.916,1229 11.66,1230 3.149,1231 1.98,1232 1.954,1233 2.083,1234 2.113,1235 1.427,1236 2.099,1237 1.928,1238 1.893,1239 2.04,1240 2.052,1241 1.225,1242 2.054,1243 1.837,1244 1.795,1245 1.99,1246 1.967,1247 1.167,1248 1.971,1249 1.774,1250 1.722,1251 1.935,1252 1.95,1253 1.139,1254 1.956,1255 1.588,1256 1.539,1257 1.731,1258 1.782,1259 0.89,1260 1.771,1261 1.475,1262 1.416,1263 1.641,1264 1.692,1265 0.825,1266 1.684,1267 1.315,1268 1.236,1269 1.514,1270 1.6,1271 0.825,1272 1.57,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.73,1278 1.429,1279 4.466,1281 5.802,1282 3.045,1283 7.343,1284 5.352,1285 8.976,1286 7.434,1287 10.658,1295 8.282,1297 5.633,1299 0.325,1300 4.864,1305 43.186,1306 99.834,1307 250.654,1308 325.418,1309 357.947,1310 363.947,1311 363.947,1312 45.682,1313 9.105,1314 75.1,1315 75.1,1316 40,1317 13.091,1318 4.755,1319 3.807,1320 46.632,1321 163,1322 209,1323 0.134,1324 256.55,1325 425.99,1326 617.741,1327 128884,1329 24.606,1330 0.665,1331 0.564,1332 24.606,1333 20.884,1334 18.332,1335 0.426,1336 0.308,1337 13.055,1338 17.647,1339 12.845,1340 10.513,1341 18.332,1342 13.241,1343 16.332,1344 0.268,1345 0.165,1346 16.332,1347 10.037,1348 14.762,1349 0.17,1350 0.089,1351 14.762,1352 7.724,1353 13.17,1354 0.108,1355 0.047,1356 13.17,1357 5.75,1358 10.972,1359 0.069,1360 0.026,1361 10.972,1362 4.1,1363 0.209,1364 114.439,1365 0.181,1366 33.468,1367 0.372,1368 208,1369 509.939,1370 225.838,1371 497.141,1372 712.14,1373 474,1374 252,1375 551.338,1376 273.059,1377 556.798,1378 829.66,1379 528,1380 6.284}
{0 CHEMBL583194,1 1.502,2 13.297,3 2.807,4 7.877,5 142.693,6 7.383,7 0.605,8 4.332,9 4.461,10 3.92,11 3.854,12 5.343,13 3.844,14 4.914,15 5.099,16 4.289,17 4.282,18 5.86,19 4.252,20 5.166,21 5.393,22 4.323,23 4.427,24 6.037,25 4.352,26 5.235,27 5.496,28 4.285,29 4.437,30 6.075,31 4.34,32 5.175,33 5.415,34 4.302,35 4.432,36 6.03,37 4.344,38 5.196,39 5.43,40 4.338,41 4.432,42 6.094,43 4.361,44 5.19,45 5.424,46 4.279,47 4.426,48 6.071,49 4.343,50 5.187,51 5.421,52 4.224,53 4.456,54 5.994,55 4.34,56 0.046,57 1.099,58 14.106,59 5.685,60 9.504,61 7.826,62 0.331,63 1.822,64 28.225,65 9.386,66 25.681,67 13.292,68 0.404,69 2.198,70 38.286,71 12.665,72 35.709,73 18.663,74 0.575,75 2.299,76 42.646,77 13.664,78 43.061,79 20.519,80 0.34,81 2.187,82 38.908,83 13.469,84 37.425,85 20.012,86 0.448,87 2.283,88 39.596,89 12.208,90 41.757,91 18.283,92 0.575,93 2.214,94 39.689,95 12.289,96 47.314,97 18.317,98 0.374,99 2.177,100 38.999,101 14.695,102 34.264,103 21.084,105 61,106 0.234,107 0.589,108 0.776,109 0.842,110 0.846,111 0.846,112 3.643,113 0.913,114 -4.43,115 -4.36,116 -4.11,119 41.8,121 2,125 7,127 1,142 6,143 4,145 3,147 1,149 1,151 1,152 1,161 1,166 1,172 7,174 3,175 14,180 3,183 7,186 2,187 8,192 2,195 4,198 7,199 9,204 1,207 6,211 2,212 8,220 4,223 1,224 14,227 2,232 6,236 3,237 7,245 5,249 3,250 7,253 2,255 1,258 5,262 1,263 8,266 1,271 3,275 2848,276 26.101,277 26.101,278 26.101,279 26.101,280 26.101,281 23.203,282 27.006,283 15.498,284 26.793,285 21.322,286 21.322,287 21.322,288 21.322,289 21.322,290 16.907,291 38.09,292 7.443,293 22.445,294 4.564,295 2.283,296 1.079,297 0.657,298 0.627,299 0.627,300 4.376,305 1,306 1130,307 2.646,310 167.875,311 524.105,314 293.026,318 2.073,319 23.634,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 79,331 492,332 4.696,333 3.381,334 6.903,335 4.24,336 3.29,337 4.642,338 0.916,339 11.618,340 3.124,341 4.439,342 3.077,343 6.336,344 3.958,345 2.976,346 4.372,347 0.86,348 9.651,349 2.922,350 4.05,351 2.979,352 6.265,353 3.778,354 2.835,355 3.533,356 0.8,357 9.447,358 2.675,359 3.936,360 2.947,361 5.973,362 3.602,363 2.649,364 3.456,365 0.172,366 8.476,367 2.535,368 3.9,369 2.639,370 5.636,371 3.537,372 2.577,373 3.285,375 7.741,376 2.473,377 3.524,378 2.486,379 5.516,380 3.31,381 2.349,382 2.606,384 7.11,385 2.242,386 3.259,387 2.357,388 5.044,389 3.038,390 2.1,391 2.356,393 6.052,394 1.962,395 3.051,396 2.121,397 4.746,398 2.652,399 1.734,400 2.318,402 4.82,403 1.588,404 3.033,405 1.581,406 4.506,407 2.528,408 1.552,409 2.299,411 4.506,412 1.52,413 2.942,414 1.55,415 4.326,416 2.493,417 1.533,418 2.046,420 4.108,421 1.46,422 2.818,423 1.533,424 4.083,425 2.384,426 1.427,427 1.913,428 3.225,429 1.362,430 2.604,431 1.487,432 3.767,433 2.153,434 1.255,435 1.648,436 2.993,437 1.12,438 2.5,439 1.256,440 3.587,441 2.089,442 1.138,443 1.5,445 2.901,446 1.078,447 2.492,448 1.145,449 3.452,450 1.984,451 1.024,452 1.488,454 2.393,455 0.983,456 2.385,457 1.077,458 3.414,459 1.978,460 1,461 1.373,463 2.275,464 0.973,465 17.533,466 0.474,467 0.701,468 0.019,469 48.75,470 1.318,471 22.5,472 0.608,473 26.25,474 0.709,475 34.228,476 0.925,477 38.867,478 0.58,479 37.126,480 1.003,481 9.376,482 0.253,483 8.939,484 0.242,487 0.325,493 0.87,494 1.451,495 0.761,496 1.139,497 0.721,498 0.968,499 1.358,500 1.122,501 0.97,502 0.928,503 1.013,504 0.904,505 1.095,506 1.174,507 1.01,508 1.028,509 0.871,510 1.012,511 0.869,512 0.85,513 0.968,514 0.874,515 1.046,516 0.914,517 0.776,518 1.118,519 0.904,520 1.022,521 1.011,522 0.981,523 1.184,524 1.095,525 1.081,526 1.004,527 1.238,528 1.012,529 1.228,530 1.001,531 1.159,532 0.978,533 1.333,534 1.035,535 0.72,536 0.996,537 1.059,538 1.157,539 0.803,540 1.153,541 5.5,542 0.169,543 3.778,544 1.729,545 1.742,546 1.25,547 0.919,548 0.518,549 0.382,550 0.27,551 23335,552 52836,553 2.281,554 44.8,556 21,557 1,558 3,559 1,562 4,564 1.784,565 2.242,566 3.65,567 -0.365,573 100.615,574 1.502,575 3.783,576 4.988,577 5.409,578 5.439,579 5.439,580 3.105,581 4.777,582 5.174,583 3.855,584 2567.54,585 9.13,586 41040.8,591 406.428,592 0.909,593 5.181,594 0.128,595 0.004,596 0.062,597 0.028,598 0.03,599 0.021,600 0.015,601 0.009,602 0.007,603 0.005,604 0.31,605 0.17,606 0.75,608 202.332,609 0.047,610 -0.25,611 0.098,612 -0.104,613 0.11,614 -0.015,615 -0.123,616 0.01,617 -0.026,618 0.039,619 -0.019,620 0.02,621 -0.064,622 -0.134,623 -0.042,624 -0.053,625 0.057,626 -0.049,627 0.044,628 0.167,629 0.021,630 0.079,631 -0.033,632 0.052,633 0.047,634 -0.107,635 0.056,636 -0.027,637 -0.04,638 0.01,639 -0.12,640 -0.021,641 -0.105,642 -0.064,643 -0.156,644 -0.076,645 -0.105,646 0.058,647 -0.179,648 -0.03,649 -0.215,650 -0.095,651 0.057,652 0.004,653 -0.113,654 -0.137,655 -0.016,656 -0.146,657 1.018,658 2.123,659 0.973,660 46.51,661 0.998,662 1.131,663 3.202,664 10.252,665 0.67,666 3.784,667 4.127,668 4.466,669 4.787,670 5.063,671 5.226,672 5.481,673 5.707,674 5.883,675 6.082,676 7.787,677 0.637,678 494.66,679 3.784,680 5.342,681 6.221,682 7.114,683 8.008,684 8.91,685 9.813,686 10.721,687 11.63,688 12.542,689 11.9,692 1,695 1,697 2,699 4,703 4,704 10,705 4,706 1,709 4,710 1,711 26,726 1,731 67,733 26,734 1,735 43,737 73,738 28,739 18,740 3,741 3,746 7,747 9,755 3,758 3,761 18,762 10,781 30,782 7,783 1,784 9,790 8,794 0.714,795 1,803 1,805 1,806 1,807 1,811 2,812 5,815 2,836 1,839 1,840 5,848 37,854 9,856 1,858 1,859 2,870 1.5,874 1,877 16.5,878 11.983,879 7.944,880 4.239,881 4.656,882 1.511,883 1.05,884 6.092,885 13.761,886 4.043,887 4.673,888 5.333,889 5.983,890 6.54,891 6.973,892 7.508,893 8.022,894 8.407,895 8.915,896 0.889,897 61,898 13.703,900 5.956,901 7.45,902 27.08,904 23.322,905 1.95,906 72.167,910 341.362,911 137.862,912 91.83,914 11,917 137.862,918 352.362,919 91.83,921 24.782,922 65.905,923 115.048,924 65.798,925 16.243,926 294.278,928 341.362,929 229.692,930 11,933 296.605,934 47.084,935 11,937 75.326,938 85.018,939 67.02,941 341.362,942 102.83,943 137.862,946 341.362,947 44.815,948 101.072,949 16.786,950 78.019,951 341.362,952 102.83,953 137.862,955 0.581,956 0.346,957 0.196,958 0.107,959 33,960 12,961 0.068,962 5,963 2,964 1.111,965 4.851,966 389.477,967 0.111,968 36,969 184.75,974 22.853,975 9.863,976 4.502,977 4.211,978 84.268,979 20.32,980 19.346,981 3.273,984 3.977,985 2.153,986 16.786,987 582.054,988 56,999 66.861,1000 75.763,1001 0.248,1002 0.624,1003 0.822,1004 0.892,1005 0.897,1006 0.897,1007 5.291,1008 1.734,1009 6.192,1010 6.052,1011 4.812,1012 5.361,1013 1.598,1014 7.022,1015 4.716,1016 6.484,1017 1.552,1018 7.751,1019 4.82,1020 4.29,1021 5.121,1022 0.57,1023 7.928,1024 4.159,1025 7.791,1026 1.533,1027 9.413,1028 4.506,1029 6.415,1030 7.608,1031 1.256,1032 11.073,1033 6.233,1034 9.137,1035 1.427,1036 11.137,1037 4.108,1038 6.781,1039 8.305,1040 0.581,1041 12.852,1042 6.563,1043 10.521,1044 1.255,1045 12.903,1046 3.225,1047 8.313,1048 10.208,1049 1.023,1050 15.495,1051 8.047,1052 11.934,1053 1.138,1054 14.697,1055 2.993,1056 9.09,1057 11.341,1058 0.515,1059 17.631,1060 8.784,1061 13.367,1062 1.024,1063 16.513,1064 2.901,1065 10.382,1066 13.009,1067 0.84,1068 20.115,1069 10.031,1070 3.29,1071 1,1072 18.344,1073 2.393,1074 11.356,1075 14.347,1076 0.441,1077 22.409,1078 10.961,1079 2.976,1080 11.618,1081 20.187,1082 2.275,1083 12.553,1084 15.92,1085 0.689,1086 24.846,1087 12.113,1088 2.835,1089 9.651,1090 22.04,1091 4.642,1092 13.622,1093 17.353,1094 0.373,1095 27.213,1096 13.135,1097 2.649,1098 9.447,1099 23.901,1100 4.372,1101 14.786,1102 18.889,1103 0.564,1104 29.641,1105 14.253,1106 2.577,1107 8.476,1108 25.769,1109 3.533,1110 15.901,1111 20.367,1112 0.314,1113 32.045,1114 15.32,1115 2.349,1116 7.741,1117 27.644,1118 3.456,1119 17.059,1120 21.89,1121 0.461,1122 34.475,1123 16.428,1124 2.1,1125 7.11,1126 29.523,1127 3.285,1128 18.199,1129 23.389,1130 0.264,1131 36.898,1132 17.518,1133 20746,1134 31388,1135 30.512,1136 44.875,1137 65.587,1138 65.468,1139 65.247,1140 65.293,1141 65.252,1142 84.847,1143 5.498,1144 189.372,1145 62.061,1146 5.696,1147 5.381,1148 6.705,1149 5.343,1150 5.29,1151 7.642,1152 1.776,1153 19.166,1154 5.124,1156 1.525,1157 1.523,1158 1.517,1159 1.518,1160 1.517,1161 1.973,1162 0.128,1163 4.404,1164 1.443,1165 4.172,1166 4.217,1167 4.142,1168 4.058,1169 5.144,1170 4.071,1171 4.056,1172 4.101,1173 4.017,1174 3.914,1175 4.958,1176 3.937,1177 3.907,1178 3.958,1179 3.837,1180 3.79,1181 4.896,1182 3.796,1183 3.78,1184 3.839,1185 3.677,1186 3.62,1187 4.631,1188 3.623,1189 3.693,1190 3.751,1191 3.578,1192 3.485,1193 4.554,1194 3.499,1195 3.462,1196 3.518,1197 3.4,1198 3.325,1199 4.276,1200 3.335,1201 3.23,1202 3.303,1203 3.123,1204 3.042,1205 4.172,1206 3.047,1207 3.111,1208 3.206,1209 2.965,1210 2.941,1211 3.977,1212 2.912,1213 0.109,1214 0.079,1215 0.161,1216 0.099,1217 0.077,1218 4.696,1219 0.108,1220 3.381,1221 0.021,1222 6.903,1223 0.27,1224 4.24,1225 0.073,1226 3.29,1227 4.642,1228 0.916,1229 11.618,1230 3.124,1231 1.978,1232 1.952,1233 2.07,1234 2.11,1235 1.425,1236 2.095,1237 1.896,1238 1.848,1239 2.034,1240 2.048,1241 1.223,1242 2.047,1243 1.82,1244 1.782,1245 1.944,1246 1.97,1247 1.164,1248 1.965,1249 1.763,1250 1.71,1251 1.93,1252 1.938,1253 1.073,1254 1.939,1255 1.584,1256 1.535,1257 1.72,1258 1.791,1259 0.885,1260 1.774,1261 1.483,1262 1.421,1263 1.658,1264 1.688,1265 0.825,1266 1.686,1267 1.305,1268 1.225,1269 1.513,1270 1.597,1271 0.825,1272 1.564,1273 1.153,1274 1.084,1275 1.513,1276 1.376,1277 0.679,1278 1.429,1279 4.466,1281 5.802,1282 3.045,1283 7.339,1284 5.352,1285 8.964,1286 7.424,1287 10.638,1295 8.13,1297 5.623,1299 0.315,1300 4.819,1305 42.681,1306 100.615,1307 253.479,1308 334.163,1309 362.428,1310 364.428,1311 364.428,1312 45.465,1313 9.105,1314 87.99,1315 87.99,1316 40,1317 13.057,1318 4.755,1319 3.807,1320 46.65,1321 166,1322 209,1323 0.131,1324 253.751,1325 419.69,1326 610.914,1327 129286,1329 24.606,1330 0.665,1331 0.561,1332 24.606,1333 20.754,1334 18.315,1335 0.426,1336 0.304,1337 12.882,1338 17.553,1339 12.682,1340 10.371,1341 18.315,1342 13.084,1343 16.407,1344 0.269,1345 0.163,1346 16.407,1347 9.945,1348 14.774,1349 0.172,1350 0.088,1351 14.774,1352 7.588,1353 12.97,1354 0.109,1355 0.047,1356 12.97,1357 5.588,1358 10.833,1359 0.069,1360 0.025,1361 10.833,1362 3.985,1363 0.205,1364 114.838,1365 0.181,1366 33.6,1367 0.362,1368 208,1369 529.584,1370 227.225,1371 514.592,1372 732.98,1373 490,1374 251,1375 564.45,1376 273.391,1377 569.767,1378 845.2,1379 539,1380 5.707}
{0 CHEMBL583228,1 1.492,2 16.405,3 3.299,4 10.881,5 162.454,6 7.295,7 0.583,8 4.454,9 4.576,10 4.022,11 3.991,12 5.487,13 3.974,14 5.024,15 5.205,16 4.377,17 4.41,18 5.993,19 4.37,20 5.284,21 5.502,22 4.449,23 4.585,24 6.182,25 4.502,26 5.374,27 5.621,28 4.422,29 4.607,30 6.24,31 4.503,32 5.368,33 5.615,34 4.445,35 4.597,36 6.254,37 4.504,38 5.335,39 5.569,40 4.424,41 4.57,42 6.266,43 4.485,44 5.297,45 5.524,46 4.364,47 4.555,48 6.15,49 4.455,50 5.35,51 5.591,52 4.333,53 4.588,54 6.161,55 4.468,56 0.038,57 1.187,58 16.263,59 6.821,60 11.908,61 9.198,62 0.402,63 1.989,64 31.931,65 11.239,66 32.389,67 15.499,68 0.445,69 2.459,70 42.864,71 15.566,72 43.437,73 22.239,74 0.467,75 2.621,76 48.401,77 17.13,78 49.56,79 24.986,80 0.438,81 2.612,82 48.205,83 16.329,84 54.95,85 24.189,86 0.667,87 2.586,88 46.203,89 14.613,90 65.381,91 21.621,92 0.43,93 2.444,94 43.768,95 15.423,96 42.674,97 22.383,98 0.521,99 2.498,100 47.109,101 17.19,102 44.149,103 24.727,104 3,105 67,106 0.226,107 0.551,108 0.747,109 0.821,110 0.831,111 0.831,112 3.765,113 0.921,114 -5.24,115 -5.13,116 -4.8,119 42.9,121 2,125 8,127 1,142 10,143 5,145 2,146 1,147 1,149 1,160 1,161 1,172 15,174 4,175 9,180 1,183 18,186 4,187 7,192 2,195 12,198 4,199 13,204 2,207 7,211 1,212 10,217 1,220 6,223 3,224 14,227 2,232 6,236 2,237 10,245 6,249 2,250 8,253 2,258 6,262 1,263 11,266 1,271 6,275 4022,276 29.54,277 29.54,278 29.54,279 29.54,280 29.54,281 26.395,282 31.723,283 17.566,284 30.264,285 23.716,286 23.716,287 23.716,288 23.716,289 23.716,290 18.9,291 43.484,292 8.334,293 24.897,294 4.775,295 2.628,296 1.334,297 0.851,298 0.779,299 0.779,300 4.494,305 1,306 1557,307 2.915,310 100.812,311 820.328,314 183.407,318 2.528,319 29.819,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 89.5,331 689,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.08,341 4.246,342 3.081,343 6.33,344 3.875,345 2.888,346 3.89,347 0.86,348 9.6,349 2.868,350 4.2,351 2.971,352 6.143,353 3.828,354 2.861,355 3.821,356 0.8,357 9.058,358 2.775,359 3.993,360 2.911,361 6.131,362 3.731,363 2.776,364 3.359,365 0.765,366 9.04,367 2.635,368 3.844,369 2.817,370 5.634,371 3.554,372 2.605,373 3.313,374 0.172,375 7.717,376 2.482,377 3.649,378 2.585,379 5.511,380 3.322,381 2.359,382 3.032,384 7.125,385 2.262,386 3.519,387 2.445,388 5.281,389 3.251,390 2.278,391 2.668,393 6.686,394 2.205,395 3.313,396 2.333,397 5.045,398 3.025,399 2.084,400 2.533,402 6.046,403 1.954,404 3.159,405 2.117,406 4.747,407 2.755,408 1.797,409 2.263,411 4.83,412 1.722,413 2.973,414 1.824,415 4.431,416 2.626,417 1.706,418 2.178,420 4.45,421 1.562,422 2.898,423 1.613,424 4.385,425 2.472,426 1.518,427 1.967,428 4.171,429 1.445,430 2.663,431 1.542,432 4.079,433 2.171,434 1.27,435 1.734,436 3.178,437 1.154,438 2.628,439 1.256,440 3.759,441 2.148,442 1.195,443 1.686,445 2.909,446 1.127,447 2.5,448 1.226,449 3.504,450 2.098,451 1.148,452 1.5,454 2.697,455 1.081,456 2.5,457 1.187,458 3.487,459 2,460 1.038,461 1.5,463 2.546,464 1,465 19.967,466 0.475,467 0.769,468 0.018,469 55.5,470 1.321,471 26.5,472 0.631,473 29,474 0.69,475 39.919,476 0.95,477 44.233,478 0.574,479 44.848,480 1.068,481 10.79,482 0.257,483 9.957,484 0.237,485 0.017,487 0.311,493 0.914,494 1.446,495 0.789,496 1.128,497 0.859,498 0.974,499 1.279,500 1.018,501 0.993,502 0.897,503 0.955,504 0.905,505 0.877,506 1.092,507 0.98,508 1.027,509 0.612,510 1.017,511 0.781,512 1.03,513 0.951,514 0.998,515 0.844,516 0.991,517 0.865,518 1.092,519 0.926,520 0.958,521 0.877,522 0.94,523 1.075,524 1.008,525 1.13,526 0.965,527 0.939,528 1.021,529 0.901,530 1.143,531 1.098,532 1.126,533 0.763,534 1.125,535 0.805,536 0.962,537 1.065,538 1.063,539 0.701,540 1.086,541 6.5,542 0.205,543 4.222,544 1.972,545 1.858,546 1.532,547 1.053,548 0.645,549 0.385,550 0.282,551 34645,552 81168,553 2.23,554 45.5,556 27,558 3,559 1,562 4,564 1.81,565 2.172,566 3.918,567 -0.408,573 114.901,574 1.492,575 3.639,576 4.933,577 5.416,578 5.488,579 5.488,580 3.366,581 4.916,582 5.358,583 4.152,584 3574.52,585 9.469,586 65376.1,591 482.543,592 1.042,593 5.358,594 0.135,595 0.005,596 0.063,597 0.028,598 0.028,599 0.022,600 0.016,601 0.01,602 0.006,603 0.005,604 0.319,605 0.17,606 0.75,607 0.385,608 242.411,609 -0.021,610 -0.271,611 0.079,612 -0.085,613 -0.017,614 -0.008,615 -0.105,616 0.116,617 -0.045,618 0.075,619 -0.065,620 0.027,621 0.015,622 -0.04,623 -0.027,624 -0.037,625 0.079,626 -0.041,627 0.028,628 -0.014,629 0.02,630 -0.017,631 -0.012,632 -0.004,633 -0.015,634 -0.065,635 0.05,636 0.011,637 -0.041,638 0.037,639 -0.044,640 0.084,641 -0.148,642 -0.032,643 -0.056,644 -0.087,645 -0.025,646 -0.095,647 -0.139,648 -0.147,649 -0.064,650 -0.152,651 0.028,652 0.041,653 -0.1,654 -0.068,655 0.006,656 -0.093,657 1.516,658 3.711,659 0.929,660 60.549,661 0.997,662 1.126,663 4.012,664 16.099,665 0.67,666 3.892,667 4.22,668 4.543,669 4.844,670 5.136,671 5.268,672 5.513,673 5.714,674 5.878,675 6.035,676 9.41,677 0.636,678 561.75,679 3.892,680 5.442,681 6.312,682 7.197,683 8.082,684 8.976,685 9.871,686 10.771,687 11.672,688 12.576,689 9.1,692 1,695 1,697 1,699 4,703 2,704 13,705 4,709 7,710 1,711 28,726 1,731 77,733 28,734 2,735 48,737 83,738 33,739 22,740 4,741 8,746 7,747 8,752 1,755 3,758 3,761 22,762 11,781 35,782 8,783 1,784 9,787 1,790 7,794 0.857,795 2,796 1,805 1,806 1,811 1,812 6,815 1,836 1,838 1,839 1,840 6,848 42,853 1,854 10,856 1,858 1,859 2,870 2.6,871 1,874 1,877 19.333,878 13.683,879 9.194,880 4.783,881 4.899,882 1.519,883 1.01,884 7.842,885 14.34,886 4.143,887 4.743,888 5.374,889 5.996,890 6.579,891 6.939,892 7.45,893 7.896,894 8.247,895 8.618,896 0.909,897 70,898 15.558,900 6.692,901 7.52,902 30.568,904 25.985,905 2.02,906 84.833,910 400.217,911 170.701,912 75.29,914 53.683,917 170.701,918 453.901,919 75.29,921 24.782,922 137.446,923 123.789,924 46.642,925 2.328,926 364.904,928 400.217,929 245.991,930 53.683,933 355.461,934 47.084,935 53.683,937 60.379,938 116.143,939 67.142,941 400.217,942 128.973,943 170.701,946 400.217,947 49.226,948 129.624,950 120.825,951 400.217,952 128.973,953 170.701,955 0.576,956 0.344,957 0.192,958 0.109,959 34,960 13,961 0.084,962 7,963 1,964 1.051,965 5.264,966 446.823,967 0.051,968 39,969 210.477,974 27.029,975 12.185,976 5.786,977 1.719,978 127.074,979 26.431,980 19.045,984 7,985 2.265,986 42.683,987 699.892,988 62,999 76.738,1000 86.72,1001 0.238,1002 0.581,1003 0.787,1004 0.864,1005 0.876,1006 0.876,1007 5.384,1008 2.084,1009 6.279,1010 6.686,1011 4.905,1012 5.432,1013 1.81,1014 7.094,1015 4.814,1016 6.569,1017 1.797,1018 7.831,1019 6.046,1020 4.369,1021 5.121,1022 0.57,1023 7.984,1024 4.241,1025 7.865,1026 1.706,1027 9.484,1028 4.83,1029 6.497,1030 7.625,1031 1.434,1032 11.116,1033 6.322,1034 9.2,1035 1.518,1036 11.201,1037 4.45,1038 6.836,1039 8.222,1040 0.581,1041 12.876,1042 6.617,1043 10.571,1044 1.27,1045 12.959,1046 4.171,1047 8.374,1048 10.151,1049 1.158,1050 15.512,1051 8.113,1052 11.969,1053 1.195,1054 14.745,1055 3.178,1056 9.125,1057 11.195,1058 0.515,1059 17.637,1060 8.811,1061 13.388,1062 1.148,1063 16.553,1064 2.909,1065 10.42,1066 12.88,1067 0.936,1068 20.116,1069 10.062,1070 3.289,1071 1.038,1072 18.377,1073 2.697,1074 11.375,1075 14.155,1076 0.441,1077 22.405,1078 10.958,1079 2.888,1080 11.617,1081 20.214,1082 2.546,1083 12.571,1084 15.734,1085 0.756,1086 24.839,1087 12.105,1088 2.861,1089 9.6,1090 22.061,1091 4.638,1092 13.626,1093 17.131,1094 0.373,1095 27.204,1096 13.097,1097 2.776,1098 9.058,1099 23.918,1100 3.89,1101 14.787,1102 18.668,1103 0.609,1104 29.631,1105 14.204,1106 2.605,1107 9.04,1108 25.781,1109 3.821,1110 15.894,1111 20.127,1112 0.314,1113 32.034,1114 15.244,1115 2.359,1116 7.717,1117 27.652,1118 3.359,1119 17.047,1120 21.651,1121 0.49,1122 34.464,1123 16.337,1124 2.278,1125 7.125,1126 29.528,1127 3.313,1128 18.181,1129 23.142,1130 0.264,1131 36.888,1132 17.404,1133 31222,1134 47958,1135 33.69,1136 51.608,1137 72.359,1138 72.845,1139 72.901,1140 72.143,1141 72.155,1142 92.947,1143 7.027,1144 206.758,1145 68.762,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.08,1155 9.449,1156 1.507,1157 1.518,1158 1.519,1159 1.503,1160 1.503,1161 1.936,1162 0.146,1163 4.307,1164 1.433,1165 4.145,1166 4.197,1167 4.119,1168 3.996,1169 6.457,1170 4.015,1171 3.996,1172 4.027,1173 3.942,1174 3.927,1175 5.14,1176 3.929,1177 3.903,1178 3.938,1179 3.84,1180 3.817,1181 4.929,1182 3.821,1183 3.813,1184 3.867,1185 3.721,1186 3.67,1187 4.713,1188 3.676,1189 3.736,1190 3.789,1191 3.642,1192 3.591,1193 4.676,1194 3.594,1195 3.671,1196 3.723,1197 3.564,1198 3.48,1199 4.618,1200 3.495,1201 3.333,1202 3.393,1203 3.259,1204 3.131,1205 4.431,1206 3.152,1207 3.212,1208 3.27,1209 3.08,1210 3.031,1211 4.261,1212 3.032,1213 0.098,1214 0.07,1215 0.144,1216 0.088,1217 0.069,1218 4.694,1219 0.097,1220 3.38,1221 0.019,1222 6.903,1223 0.242,1224 4.225,1225 0.064,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.08,1231 1.986,1232 1.959,1233 2.098,1234 2.11,1235 1.432,1236 2.102,1237 1.958,1238 1.929,1239 2.048,1240 2.065,1241 1.217,1242 2.063,1243 1.857,1244 1.806,1245 2.02,1246 2.005,1247 1.199,1248 2.011,1249 1.77,1250 1.722,1251 1.931,1252 1.958,1253 1.153,1254 1.957,1255 1.707,1256 1.664,1257 1.846,1258 1.847,1259 0.949,1260 1.849,1261 1.567,1262 1.517,1263 1.686,1264 1.773,1265 0.829,1266 1.757,1267 1.34,1268 1.265,1269 1.513,1270 1.605,1271 0.825,1272 1.58,1273 1.194,1274 1.146,1275 1.513,1276 1.451,1277 0.825,1278 1.449,1279 4.575,1281 5.9,1282 2.398,1283 7.431,1284 4.727,1285 9.049,1286 6.862,1287 10.713,1294 9.711,1295 7.93,1297 5.612,1299 0.324,1300 4.795,1305 48.955,1306 114.901,1307 280.224,1308 379.814,1309 417.033,1310 422.543,1311 422.543,1312 58.983,1313 9.441,1314 92.43,1315 92.43,1316 41,1317 13.096,1318 4.858,1319 3.907,1320 56.392,1321 233,1322 278,1323 0.114,1324 293.06,1325 498.7,1326 706.827,1327 208960,1329 28.305,1330 0.674,1331 0.563,1332 28.305,1333 23.64,1334 20.747,1335 0.432,1336 0.307,1337 14.532,1338 19.971,1339 14.273,1340 11.703,1341 20.747,1342 14.741,1343 18.259,1344 0.273,1345 0.166,1346 18.259,1347 11.093,1348 16.327,1349 0.176,1350 0.09,1351 16.327,1352 8.406,1353 14.012,1354 0.111,1355 0.048,1356 14.012,1357 6.063,1358 12.009,1359 0.071,1360 0.026,1361 12.009,1362 4.392,1363 0.183,1364 129.682,1365 0.172,1366 37.742,1367 0.301,1368 230,1369 591.401,1370 248.999,1371 574.463,1372 807.95,1373 546,1374 275,1375 604.813,1376 296.694,1377 615.575,1378 911.05,1379 581,1380 7.638}
{0 CHEMBL583874,1 1.621,2 14.225,3 2.107,4 4.441,5 145.792,6 7.388,7 0.348,8 4.435,9 4.56,10 4.009,11 3.9,12 5.452,13 3.904,14 5.034,15 5.217,16 4.386,17 4.314,18 6.059,19 4.29,20 5.296,21 5.526,22 4.427,23 4.46,24 6.227,25 4.407,26 5.334,27 5.575,28 4.412,29 4.449,30 6.339,31 4.396,32 5.249,33 5.465,34 4.386,35 4.451,36 6.264,37 4.396,38 5.255,39 5.482,40 4.413,41 4.49,42 6.191,43 4.426,44 5.263,45 5.479,46 4.43,47 4.508,48 6.216,49 4.438,50 5.317,51 5.555,52 4.346,53 4.514,54 6.267,55 4.411,56 0.099,57 1.189,58 15.951,59 6.31,60 10.241,61 8.739,62 0.729,63 1.907,64 32.874,65 10.565,66 50.434,67 15.353,68 0.731,69 2.283,70 45.342,71 13.188,72 58.581,73 20.159,74 0.951,75 2.298,76 48.322,77 13.239,78 85.348,79 20.075,80 0.763,81 2.201,82 42.841,83 12.935,84 82.847,85 19.131,86 0.72,87 2.305,88 42.46,89 13.166,90 57.215,91 19.976,92 0.676,93 2.321,94 42.053,95 13.676,96 53.984,97 20.723,98 0.802,99 2.301,100 45.812,101 15.725,102 75.32,103 23.061,104 12,105 67,106 0.25,107 0.575,108 0.749,109 0.818,110 0.818,111 0.818,112 3.718,113 0.926,114 -4.3,115 -4.24,116 -4,119 37.8,121 6,124 1,125 4,127 4,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 6,174 6,175 13,178 2,179 1,180 4,183 5,186 2,187 8,192 2,195 2,198 6,199 16,204 5,207 3,211 2,212 10,217 2,220 4,223 3,224 12,227 2,229 1,232 8,236 5,237 9,245 10,249 6,250 5,253 4,255 1,258 10,263 6,266 1,271 8,275 3502,276 27.607,277 27.607,278 27.607,279 27.607,280 27.607,281 25.589,282 39.045,283 15.875,284 28.387,285 22.689,286 22.689,287 22.689,288 22.689,289 22.689,290 19.362,291 55.065,292 7.534,293 23.888,294 4.589,295 2.48,296 1.348,297 0.902,298 0.902,299 0.902,300 4.436,306 1285,307 3.937,308 83.015,310 188.837,311 468.57,312 124.551,314 171.722,318 2.109,319 42.493,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 88,331 569,332 4.695,333 3.761,334 6.906,335 4.243,336 3.295,337 4.638,338 2.208,339 11.631,340 3.124,341 4.186,342 3.566,343 6.353,344 3.874,345 2.939,346 3.796,347 1.656,348 9.709,349 2.768,350 4.049,351 3.415,352 6.114,353 3.806,354 2.843,355 3.379,356 0.86,357 8.984,358 2.724,359 3.931,360 3.197,361 6.014,362 3.721,363 2.773,364 3.176,365 0.8,366 8.518,367 2.645,368 3.884,369 2.904,370 5.766,371 3.685,372 2.722,373 3.093,374 0.655,375 8.05,376 2.583,377 3.728,378 2.774,379 5.632,380 3.512,381 2.566,382 2.848,383 0.247,384 7.815,385 2.415,386 3.644,387 2.673,388 5.418,389 3.39,390 2.425,391 2.788,392 0.13,393 7.098,394 2.335,395 3.312,396 2.457,397 5.384,398 3.078,399 2.133,400 2.419,402 6.749,403 2.005,404 3.295,405 2.39,406 4.879,407 2.942,408 1.945,409 2.39,411 5.638,412 1.924,413 2.953,414 2.132,415 4.722,416 2.839,417 1.879,418 2.141,420 5.2,421 1.794,422 2.879,423 2.093,424 4.692,425 2.529,426 1.586,427 1.879,428 4.622,429 1.486,430 2.798,431 1.546,432 4.4,433 2.434,434 1.48,435 1.815,436 4.234,437 1.407,438 2.627,439 1.535,440 4.216,441 2.261,442 1.336,443 1.662,445 3.618,446 1.227,447 2.5,448 1.461,449 3.943,450 2.019,451 1.071,452 1.5,454 2.865,455 1.011,456 2.416,457 1.111,458 3.664,459 2,460 1,461 1.38,463 2.275,464 1,465 18.533,466 0.463,467 0.982,468 0.025,469 46.75,470 1.169,471 18,472 0.45,473 28.75,474 0.719,475 41.933,476 1.048,477 44.467,478 0.601,479 39.138,480 0.978,481 8.599,482 0.215,483 10.935,484 0.273,485 0.063,487 0.388,493 0.787,494 1.559,495 0.759,496 1.249,497 0.55,498 1.031,499 0.84,500 1.175,501 0.909,502 1.038,503 0.515,504 0.993,505 1.056,506 1.168,507 0.965,508 0.982,509 0.785,510 0.954,511 1.196,512 0.908,513 1.028,514 0.851,515 1.316,516 0.889,517 1.178,518 1.091,519 1.054,520 0.956,521 1.392,522 0.977,523 0.824,524 1.033,525 0.995,526 0.965,527 0.722,528 0.989,529 0.691,530 1.201,531 0.999,532 1.132,533 0.494,534 1.113,535 0.594,536 0.9,537 1.007,538 1.1,539 0.503,540 1.12,541 8.5,542 0.37,543 4.5,544 2.285,545 1.81,546 1.618,547 1.043,548 0.601,549 0.478,550 0.411,551 28219,552 69264,553 2.21,554 45.9,556 19,558 1,559 2,561 8,562 4,564 1.805,565 2.105,566 3.722,567 0.199,573 119.92,574 1.621,575 3.73,576 4.861,577 5.307,578 5.307,579 5.307,580 3.206,581 4.703,582 5.282,583 3.953,584 3083.49,585 9.36,586 52708.8,591 459.5,592 1.285,593 5.27,594 0.185,595 0.008,596 0.07,597 0.035,598 0.028,599 0.025,600 0.016,601 0.009,602 0.008,603 0.008,604 0.392,605 0.17,606 0.63,607 0.679,608 224.526,609 -0.019,610 -0.266,611 0.086,612 -0.116,613 0.01,614 -0.014,615 0.152,616 -0.018,617 0.027,618 -0.018,619 0.147,620 -0.026,621 -0.106,622 -0.12,623 0.006,625 -0.017,626 0.02,627 -0.137,628 0.125,629 -0.029,630 0.088,631 -0.122,632 0.057,633 -0.173,634 -0.027,635 -0.09,636 0.043,637 -0.199,638 -0.002,639 -0.045,640 0.076,641 -0.059,642 0.033,643 -0.074,644 -0.006,645 0.048,646 -0.089,647 -0.078,648 -0.107,649 0.027,650 -0.113,651 0.124,652 0.147,653 -0.072,654 -0.075,655 0.111,656 -0.104,657 1.958,658 5.174,659 0.8,660 56.183,661 1.008,662 1.138,663 3.069,664 9.419,665 0.645,666 3.85,667 4.22,668 4.511,669 4.82,670 5.088,671 5.298,672 5.549,673 5.753,674 5.966,675 6.19,676 8.312,677 0.62,678 546.7,679 3.85,680 5.425,681 6.304,682 7.206,683 8.099,684 9.006,685 9.907,686 10.819,687 11.726,688 12.641,689 10.8,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 74,733 18,734 1,735 46,737 80,738 28,739 11,740 2,741 4,746 7,747 9,751 1,755 10,758 10,761 13,762 15,766 2,771 2,775 2,781 34,782 11,783 2,784 12,790 8,794 0.714,795 4,801 1,803 1,806 1,809 1,811 2,812 4,813 1,815 1,837 1,839 1,840 5,844 1,848 40,854 10,855 2,856 2,858 4,859 2,870 5.4,873 2,874 1,875 1,877 19,878 13.367,879 8.528,880 4.757,881 3.136,882 1.345,883 1.006,884 7.021,885 12.223,886 4.043,887 4.613,888 5.168,889 5.769,890 6.325,891 6.786,892 7.321,893 7.811,894 8.208,895 8.654,896 0.9,897 66,898 14.913,900 6.624,901 7.667,902 29.012,904 25.353,905 2.167,906 86.667,910 376.675,911 107.39,912 94.281,914 72.29,917 107.39,918 448.965,919 94.281,920 10.883,921 62.776,922 37.905,923 125.01,924 35.791,925 13.366,926 364.904,928 376.675,929 201.671,930 72.29,933 237.75,934 202.543,935 11,937 75.315,938 73.794,939 50.234,941 376.675,942 166.57,943 107.39,946 376.675,947 49.555,948 65.861,949 36.022,950 122.524,951 376.675,952 166.57,953 107.39,955 0.591,956 0.339,957 0.182,958 0.096,959 36,960 15,961 0.075,962 6,963 3,964 1.156,965 5.052,966 429.062,967 0.188,968 31,969 194.122,974 25.995,975 10.804,976 5.525,977 1.719,978 164.794,979 9.518,980 14.892,984 3.074,985 2.006,986 36.022,987 650.636,988 56,993 24.177,997 -0.472,999 74.61,1000 84.222,1001 0.261,1002 0.601,1003 0.783,1004 0.855,1005 0.855,1006 0.855,1007 5.333,1008 2.133,1009 6.301,1010 7.098,1011 4.905,1012 5.301,1013 2.857,1014 7.14,1015 4.805,1016 6.524,1017 1.945,1018 7.875,1019 6.749,1020 4.575,1021 5.165,1022 2.2,1023 8.084,1024 4.431,1025 7.833,1026 1.879,1027 9.544,1028 5.638,1029 6.544,1030 7.441,1031 3.824,1032 11.171,1033 6.34,1034 9.172,1035 1.586,1036 11.267,1037 5.2,1038 6.995,1039 8.151,1040 3.876,1041 12.923,1042 6.74,1043 10.543,1044 1.48,1045 13.026,1046 4.622,1047 8.448,1048 9.951,1049 5.122,1050 15.548,1051 8.14,1052 11.937,1053 1.336,1054 14.809,1055 4.234,1056 9.254,1057 11.075,1058 5.498,1059 17.659,1060 8.89,1061 13.35,1062 1.071,1063 16.612,1064 3.618,1065 10.506,1066 12.697,1067 6.553,1068 20.135,1069 10.092,1070 3.295,1071 1,1072 18.429,1073 2.865,1074 11.484,1075 14.029,1076 7.101,1077 22.416,1078 11.013,1079 2.939,1080 11.631,1081 20.259,1082 2.275,1083 12.659,1084 15.585,1085 8.048,1086 24.85,1087 12.137,1088 2.843,1089 9.709,1090 22.1,1091 4.638,1092 13.723,1093 17.02,1094 8.696,1095 27.213,1096 13.144,1097 2.773,1098 8.984,1099 23.95,1100 3.796,1101 14.873,1102 18.553,1103 9.58,1104 29.641,1105 14.242,1106 2.722,1107 8.518,1108 25.808,1109 3.379,1110 15.981,1111 20.038,1112 10.287,1113 32.045,1114 15.294,1115 2.566,1116 8.05,1117 27.673,1118 3.176,1119 17.128,1120 21.565,1121 11.134,1122 34.477,1123 16.388,1124 2.425,1125 7.815,1126 29.546,1127 3.093,1128 18.261,1129 23.074,1130 11.875,1131 36.902,1132 17.467,1133 25512,1134 40133,1135 31.728,1136 47.762,1137 70.392,1138 72.656,1139 71.832,1140 69.682,1141 69.767,1142 84.083,1143 13.112,1144 207.946,1145 66.355,1146 5.695,1147 5.761,1148 6.45,1149 5.35,1150 5.295,1151 7.638,1152 3.912,1153 19.2,1154 5.124,1155 15.731,1156 1.53,1157 1.579,1158 1.562,1159 1.515,1160 1.517,1161 1.828,1162 0.285,1163 4.521,1164 1.442,1165 4.148,1166 4.198,1167 4.121,1168 3.989,1169 7.434,1170 4.014,1171 3.926,1172 3.977,1173 3.857,1174 3.812,1175 7.43,1176 3.817,1177 3.903,1178 3.949,1179 3.802,1180 3.753,1181 5.135,1182 3.748,1183 3.867,1184 3.913,1185 3.764,1186 3.729,1187 4.753,1188 3.736,1189 3.785,1190 3.835,1191 3.698,1192 3.622,1193 4.67,1194 3.63,1195 3.447,1196 3.486,1197 3.385,1198 3.154,1199 4.523,1200 3.206,1201 3.373,1202 3.415,1203 3.298,1204 3.1,1205 4.481,1206 3.146,1207 3.262,1208 3.341,1209 3.154,1210 3.002,1211 4.347,1212 3.023,1213 0.102,1214 0.082,1215 0.15,1216 0.092,1217 0.072,1218 4.695,1219 0.101,1220 3.761,1221 0.048,1222 6.906,1223 0.253,1224 4.243,1225 0.068,1226 3.295,1227 4.638,1228 2.208,1229 11.631,1230 3.124,1231 1.955,1232 1.923,1233 2.048,1234 2.1,1235 1.409,1236 2.082,1237 1.847,1238 1.797,1239 2.012,1240 2.021,1241 1.255,1242 2.019,1243 1.769,1244 1.724,1245 1.897,1246 1.945,1247 1.219,1248 1.935,1249 1.604,1250 1.543,1251 1.86,1252 1.788,1253 1.105,1254 1.798,1255 1.566,1256 1.522,1257 1.7,1258 1.76,1259 0.882,1260 1.759,1261 1.384,1262 1.328,1263 1.602,1264 1.683,1265 0.825,1266 1.642,1267 1.338,1268 1.29,1269 1.557,1270 1.652,1271 0.825,1272 1.625,1273 1.199,1274 1.122,1275 1.513,1276 1.52,1277 0.815,1278 1.503,1279 4.533,1280 1.946,1281 5.889,1282 4.111,1283 7.432,1284 6.107,1285 9.058,1286 8.023,1287 10.73,1289 1.415,1295 8.578,1296 5.843,1297 11.006,1299 0.853,1300 4.057,1305 45.879,1306 119.92,1307 275.998,1308 359.725,1309 392.745,1310 392.745,1311 392.745,1312 67.942,1313 9.087,1314 126.74,1315 126.74,1316 37,1317 13.155,1318 4.248,1319 3.459,1320 52.131,1321 194,1322 231,1323 0.127,1324 271.595,1325 473.14,1326 654.452,1327 119648,1329 27.217,1330 0.68,1331 0.565,1332 27.217,1333 22.583,1334 19.534,1335 0.425,1336 0.309,1337 13.942,1338 18.533,1339 13.745,1340 11.215,1341 19.534,1342 14.203,1343 18.102,1344 0.27,1345 0.167,1346 18.102,1347 11.198,1348 15.469,1349 0.172,1350 0.089,1351 15.469,1352 8.045,1353 13.244,1354 0.108,1355 0.048,1356 13.244,1357 5.958,1358 10.76,1359 0.067,1360 0.026,1361 10.76,1362 4.204,1363 0.2,1364 124.067,1365 0.178,1366 35.849,1367 0.351,1368 226,1369 649.479,1370 255.691,1371 610.882,1372 846.58,1373 576,1374 273,1375 638.932,1376 303.698,1377 635.202,1378 944.4,1379 599,1380 5.365}
{0 CHEMBL584362,1 1.585,2 8.821,3 1.277,4 1.63,5 105.55,6 7.317,7 0.5,8 4.083,9 4.21,10 3.648,11 3.557,12 5.113,13 3.555,14 4.663,15 4.849,16 4.015,17 3.973,18 5.643,19 3.951,20 4.93,21 5.167,22 4.062,23 4.108,24 5.845,25 4.048,26 4.926,27 5.182,28 4.043,29 4.095,30 5.844,31 4.027,32 4.853,33 5.078,34 4.071,35 4.104,36 5.848,37 4.046,38 4.866,39 5.082,40 4.066,41 4.111,42 5.825,43 4.063,44 4.874,45 5.087,46 4.006,47 4.107,48 5.836,49 4.035,50 4.913,51 5.139,52 3.876,53 4.138,54 5.796,55 4.015,56 0.072,57 0.836,58 11.4,59 4.404,60 8.598,61 6.108,62 0.307,63 1.358,64 22.532,65 7.173,66 23.841,67 10.441,68 0.462,69 1.619,70 31.491,71 9.132,72 38.508,73 14.156,74 0.506,75 1.629,76 31.579,77 9.112,78 38.938,79 14.253,80 0.444,81 1.569,82 28.288,83 8.743,84 45.411,85 13.491,86 0.352,87 1.617,88 28.208,89 8.082,90 30.73,91 12.589,92 0.578,93 1.554,94 28.823,95 8.737,96 37.848,97 13.213,98 0.321,99 1.521,100 29.958,101 11.361,102 35.292,103 16.147,104 2,105 45,106 0.264,107 0.62,108 0.771,109 0.822,110 0.822,111 0.822,112 3.376,113 0.926,114 -4.06,115 -4.01,116 -3.79,119 38.5,121 2,125 6,127 1,142 4,143 2,144 1,145 1,147 1,149 1,161 1,166 1,172 4,174 3,175 9,180 4,183 5,186 2,187 6,192 2,195 2,198 5,199 6,202 1,204 1,207 3,211 1,212 8,215 3,220 2,224 8,227 1,229 1,232 3,236 3,237 4,240 2,242 1,245 5,250 3,253 3,255 1,258 2,263 3,268 4,271 2,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.782,282 25.261,283 11.727,284 20.139,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 13.074,291 33.524,292 5.627,293 16.805,294 4.115,295 1.983,296 1.077,297 0.769,298 0.769,299 0.769,300 4.092,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 25.222,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 247,332 4.694,333 3.379,334 6.903,335 4.237,336 3.288,337 4.638,338 0.86,339 11.617,340 3.119,341 4.19,342 3.029,343 6.328,344 3.814,345 2.854,346 3.81,347 0.8,348 9.591,349 2.752,350 3.983,351 2.875,352 6.124,353 3.71,354 2.76,355 3.353,356 0.4,357 9.006,358 2.613,359 3.603,360 2.548,361 5.574,362 3.292,363 2.344,364 2.996,366 7.156,367 2.212,368 3.436,369 2.371,370 5.05,371 3.152,372 2.2,373 2.523,375 6.076,376 2.086,377 3.012,378 2.217,379 4.792,380 2.77,381 1.843,382 2.14,384 4.963,385 1.706,386 2.936,387 1.878,388 4.327,389 2.431,390 1.513,391 2.065,393 4.043,394 1.398,395 2.696,396 1.532,397 4.161,398 2.413,399 1.468,400 1.765,402 3.569,403 1.367,404 2.621,405 1.468,406 3.753,407 2.166,408 1.225,409 1.658,411 2.916,412 1.154,413 2.442,414 1.256,415 3.5,416 2.061,417 1.133,418 1.426,420 2.602,421 1.039,422 2.242,423 1.183,424 3.474,425 1.984,426 1,427 1.222,428 2.488,429 0.983,430 2,431 1.077,432 3.399,433 1.958,434 1,435 1,436 2.136,437 0.955,438 2,439 1.025,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.947,448 0.728,449 3.247,450 1.562,451 0.634,452 0.81,454 1.753,455 0.586,456 1.038,457 -0.057,458 2.756,459 0.62,460 -0.317,461 -0.396,463 -0.808,464 -0.295,465 13.067,466 0.467,467 0.551,468 0.02,469 34.75,470 1.241,471 15,472 0.536,473 19.75,474 0.705,475 24.61,476 0.879,477 30.733,478 0.591,479 25.343,480 0.905,481 6.628,482 0.237,483 7.165,484 0.256,485 0.026,487 0.329,493 0.914,494 1.478,495 0.791,496 1.182,497 0.875,498 1,499 1.14,500 1.194,501 0.95,502 1.011,503 0.731,504 0.955,505 1.057,506 1.139,507 0.941,508 0.932,509 0.853,510 0.916,511 0.815,512 0.892,513 0.894,514 0.838,515 0.824,516 0.856,517 0.754,518 1.103,519 0.893,520 0.952,521 0.775,522 0.934,523 1.105,524 1.191,525 1.115,526 1.057,527 0.88,528 1.055,529 0.976,530 1.018,531 1.187,532 1.066,533 0.894,534 1.13,535 0.705,536 1.04,537 1.115,538 1.318,539 0.789,540 1.292,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 22280,553 2.223,554 46.2,556 17,558 1,559 2,562 4,564 1.72,565 2.154,566 3.136,567 0.282,568 1,569 1,573 82.435,574 1.585,575 3.718,576 4.624,577 4.931,578 4.931,579 4.931,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,591 296.423,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.5,606 0.88,607 0.343,608 136.928,609 -0.024,610 -0.22,611 0.076,612 -0.079,613 -0.032,614 -0.003,615 -0.092,616 -0.041,617 -0.013,618 -0.007,619 0.026,620 -0.002,621 -0.075,622 -0.105,623 0.033,624 0.033,625 0.014,626 0.046,627 0.028,628 0.16,629 0.077,630 0.101,632 0.099,633 0.079,634 -0.012,635 0.05,636 0.037,637 0.068,638 0.039,639 -0.195,640 -0.045,641 -0.173,642 -0.099,643 -0.135,644 -0.117,645 0.013,646 0.095,647 -0.238,648 -0.092,649 -0.064,650 -0.182,651 0.04,652 -0.031,653 -0.194,654 -0.253,655 0.048,656 -0.258,657 1.457,658 3.917,659 0.964,660 24,661 1.004,662 1.137,663 2.829,664 8.005,665 0.65,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.621,678 380.5,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 11.5,691 1,695 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,728 1,731 52,733 16,734 1,735 32,737 56,738 20,739 11,740 2,741 4,746 5,747 6,755 3,758 3,761 11,762 9,777 1,778 1,781 24,782 7,783 2,784 8,790 6,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,835 1,839 1,840 4,848 28,853 1,854 8,855 1,856 1,858 1,859 1,870 3.8,872 1,874 1,877 13,878 9.117,879 6.083,880 3.3,881 2.982,882 1.377,883 0.994,884 4.889,885 10.893,886 3.714,887 4.314,888 4.96,889 5.616,890 6.203,891 6.647,892 7.174,893 7.646,894 7.985,895 8.342,896 0.833,897 46,898 10.387,900 4.51,901 7.583,902 20.303,904 17.309,905 2.083,906 58.333,910 258.964,911 81.759,912 73.146,914 53.683,917 81.759,918 312.647,919 73.146,921 22.677,922 55.916,923 117.404,924 22.035,925 2.328,926 247.193,928 258.964,929 154.904,930 53.683,933 214.208,934 89.768,935 11,937 53.227,938 49.116,939 50.234,941 258.964,942 126.829,943 81.759,946 258.964,947 34.806,948 51.853,949 18.011,950 103.917,951 258.964,952 126.829,953 81.759,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.054,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 124.606,974 17.861,975 7.664,976 3.491,977 1.839,978 125.052,979 9,980 14.46,984 2.517,985 2.064,986 60.694,987 467.552,988 40,999 52.218,1000 59.145,1001 0.278,1002 0.652,1003 0.811,1004 0.865,1005 0.865,1006 0.865,1007 4.963,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.001,1013 1.324,1014 6.725,1015 4.403,1016 6.146,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.796,1022 0.325,1023 7.662,1024 3.85,1025 7.452,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.224,1031 0.958,1032 10.826,1033 5.906,1034 8.799,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 7.946,1040 0.268,1041 12.643,1042 6.24,1043 10.187,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 9.821,1049 0.736,1050 15.31,1051 7.723,1052 11.603,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.972,1058 0.188,1059 17.479,1060 8.47,1061 13.042,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.629,1067 0.57,1068 19.984,1069 9.72,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 13.981,1076 0.125,1077 22.301,1078 10.661,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.553,1085 0.439,1086 24.754,1087 11.819,1088 2.76,1089 9.591,1090 21.845,1091 4.638,1092 13.406,1093 16.999,1094 0.082,1095 27.137,1096 12.852,1097 2.344,1098 9.006,1099 23.72,1100 3.81,1101 14.581,1102 18.539,1103 0.334,1104 29.577,1105 13.977,1106 2.2,1107 7.156,1108 25.601,1109 3.353,1110 15.712,1111 20.029,1112 0.054,1113 31.991,1114 15.053,1115 1.843,1116 6.076,1117 27.488,1118 2.996,1119 16.881,1120 21.56,1121 0.252,1122 34.43,1123 16.17,1124 1.513,1125 4.963,1126 29.38,1127 2.523,1128 18.034,1129 23.071,1130 0.035,1131 36.861,1132 17.269,1133 8616,1134 13459,1135 22.364,1136 33.796,1137 48.6,1138 48.776,1139 49.005,1140 48.576,1141 48.523,1142 60.813,1143 4.12,1144 140.1,1145 45.832,1146 5.694,1147 5.379,1148 6.705,1149 5.34,1150 5.288,1151 7.638,1152 1.72,1153 19.164,1154 5.119,1155 6.891,1156 1.519,1157 1.524,1158 1.531,1159 1.518,1160 1.516,1161 1.9,1162 0.129,1163 4.378,1164 1.432,1165 4.136,1166 4.188,1167 4.113,1168 3.977,1169 6.471,1170 4.004,1171 3.88,1172 3.915,1173 3.821,1174 3.791,1175 5.131,1176 3.795,1177 3.789,1178 3.847,1179 3.676,1180 3.623,1181 4.678,1182 3.625,1183 3.695,1184 3.757,1185 3.573,1186 3.482,1187 4.616,1188 3.496,1189 3.252,1190 3.323,1191 3.201,1192 3.024,1193 4.44,1194 3.057,1195 3.111,1196 3.206,1197 2.928,1198 2.941,1199 4.316,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 3.995,1206 2.91,1207 3.024,1208 3.093,1209 2.866,1210 2.805,1211 3.609,1212 2.824,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.694,1219 0.145,1220 3.379,1221 0.027,1222 6.903,1223 0.363,1224 4.237,1225 0.097,1226 3.288,1227 4.638,1228 0.86,1229 11.617,1230 3.119,1231 1.948,1232 1.918,1233 2.049,1234 2.099,1235 1.396,1236 2.081,1237 1.835,1238 1.785,1239 2.006,1240 2.01,1241 1.219,1242 2.012,1243 1.768,1244 1.718,1245 1.929,1246 1.945,1247 1.08,1248 1.944,1249 1.578,1250 1.53,1251 1.716,1252 1.776,1253 0.872,1254 1.761,1255 1.262,1256 1.176,1257 1.513,1258 1.583,1259 0.825,1260 1.541,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.426,1270 1.376,1271 0.587,1272 1.429,1273 1.017,1274 0.968,1275 1.216,1276 1.223,1277 0.276,1278 1.224,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.917,1295 7.031,1296 3.408,1297 5.518,1299 0.336,1300 2.244,1305 32.299,1306 82.435,1307 193.326,1308 240.423,1309 256.423,1310 256.423,1311 256.423,1312 38.373,1313 7.911,1314 88.33,1315 88.33,1316 29,1317 12.772,1318 4.087,1319 3.17,1320 37.229,1321 95,1322 93,1323 0.195,1324 193.917,1325 325.16,1326 464.917,1327 27442,1329 18.924,1330 0.676,1331 0.561,1332 18.924,1333 15.712,1334 13.793,1335 0.431,1336 0.309,1337 9.7,1338 13.129,1339 9.584,1340 7.824,1341 13.793,1342 9.875,1343 12.292,1344 0.273,1345 0.163,1346 12.292,1347 7.328,1348 10.787,1349 0.171,1350 0.087,1351 10.787,1352 5.503,1353 9.528,1354 0.108,1355 0.046,1356 9.528,1357 4.02,1358 8.076,1359 0.068,1360 0.024,1361 8.076,1362 2.838,1363 0.294,1364 87.217,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 424.444,1370 171.527,1371 405.28,1372 568.46,1373 384,1374 185,1375 432.41,1376 204.389,1377 431.723,1378 642.4,1379 409,1380 7.444}
{0 CHEMBL584734,1 1.58,2 11.903,3 2.302,4 5.298,5 116.732,6 7.268,7 0.457,8 4.179,9 4.313,10 3.737,11 3.651,12 5.209,13 3.646,14 4.762,15 4.955,16 4.127,17 4.061,18 5.779,19 4.037,20 5.015,21 5.249,22 4.143,23 4.179,24 5.963,25 4.125,26 4.974,27 5.22,28 4.092,29 4.152,30 5.973,31 4.087,32 4.901,33 5.121,34 4.089,35 4.143,36 5.916,37 4.087,38 4.916,39 5.132,40 4.111,41 4.184,42 5.885,43 4.129,44 4.956,45 5.167,46 4.052,47 4.21,48 5.899,49 4.12,50 5.023,51 5.294,52 3.817,53 4.148,54 5.886,55 3.99,56 0.06,57 0.935,58 12.657,59 4.791,60 8.73,61 6.844,62 0.394,63 1.485,64 25.184,65 8.071,66 31.848,67 11.917,68 0.551,69 1.731,70 34.67,71 9.71,72 46.844,73 15.033,74 0.511,75 1.701,76 32.979,77 9.44,78 51.281,79 14.724,80 0.386,81 1.609,82 29.915,83 9.254,84 48.246,85 14.037,86 0.408,87 1.689,88 29.935,89 9.029,90 38.994,91 13.766,92 0.421,93 1.712,94 30.843,95 10.199,96 35.348,97 15.391,98 0.492,99 1.603,100 35.287,101 12.29,102 55.869,103 18.373,104 17,105 50,106 0.257,107 0.605,108 0.758,109 0.808,110 0.825,111 0.825,112 3.472,113 0.937,114 -4.5,115 -4.42,116 -4.17,119 37.9,120 2,121 2,125 4,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 10,178 2,179 1,180 3,183 4,186 2,187 7,192 2,195 2,198 5,199 10,204 4,207 2,211 1,212 10,217 2,220 4,224 9,227 2,229 1,232 5,236 3,237 9,245 6,249 2,250 2,253 4,255 1,258 7,263 3,266 1,271 6,275 1681,276 21.444,277 21.444,278 21.444,279 21.444,280 21.444,281 19.531,282 27.497,283 12.554,284 22.027,285 17.233,286 17.233,287 17.233,288 17.233,289 17.233,290 14.141,291 34.939,292 5.865,293 18.147,294 4.278,295 2.139,296 1.198,297 0.888,298 0.785,299 0.785,300 4.182,304 1,305 1,306 821,307 3.464,310 140.332,311 251.587,312 91.589,314 126.75,318 1.861,319 27.07,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 67.5,331 369,332 4.675,333 3.545,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.17,342 3.399,343 6.152,344 3.816,345 2.882,346 3.791,347 0.86,348 9.109,349 2.737,350 3.986,351 3.148,352 6.11,353 3.762,354 2.791,355 3.319,356 0.8,357 8.943,358 2.658,359 3.835,360 2.794,361 5.65,362 3.497,363 2.538,364 3.162,365 0.247,366 7.725,367 2.428,368 3.65,369 2.72,370 5.471,371 3.377,372 2.446,373 2.769,375 7.341,376 2.27,377 3.464,378 2.413,379 5.009,380 3.06,381 2.081,382 2.698,384 5.638,385 2.026,386 2.98,387 2.093,388 4.879,389 2.839,390 1.879,391 2.17,393 5.504,394 1.794,395 2.953,396 1.961,397 4.82,398 2.707,399 1.76,400 2.058,402 5.433,403 1.661,404 2.879,405 1.536,406 4.427,407 2.447,408 1.497,409 1.879,411 4.288,412 1.417,413 2.626,414 1.51,415 4.281,416 2.173,417 1.241,418 1.67,420 3.587,421 1.155,422 2.5,423 1.326,424 3.666,425 2,426 1.02,427 1.5,428 2.275,429 1,430 2.223,431 1,432 3.414,433 1.987,434 1,435 1.15,436 2.23,437 0.979,438 2.12,439 0.966,440 3.27,441 1.827,442 0.882,443 1.07,445 1.685,446 0.831,447 1.698,448 0.943,449 3.117,450 1.605,451 0.681,452 0.691,454 1.651,455 0.623,456 1.521,457 0.558,458 2.865,459 1.289,460 0.319,461 0.371,463 0.524,464 0.309,465 14.467,466 0.467,467 0.704,468 0.023,469 38.25,470 1.234,471 16.5,472 0.532,473 21.75,474 0.702,475 28.522,476 0.92,477 34.133,478 0.589,479 28.99,480 0.935,481 7.136,482 0.23,483 8.003,484 0.258,485 0.092,487 0.366,493 0.816,494 1.529,495 0.788,496 1.221,497 0.631,498 1.028,499 0.921,500 1.156,501 0.859,502 1.022,503 0.579,504 0.942,505 1.291,506 1.101,507 0.976,508 0.884,509 0.961,510 0.884,511 0.99,512 0.944,513 0.982,514 0.901,515 1.029,516 0.919,517 1.087,518 1.15,519 0.962,520 0.987,521 1.399,522 0.957,523 1.112,524 1.038,525 1.086,526 0.974,527 0.927,528 1,529 0.85,530 1.236,531 1.185,532 1.269,533 0.63,534 1.272,535 0.51,536 0.888,537 1.008,538 1.145,539 0.503,540 1.158,541 6.5,542 0.208,543 3.111,544 1.854,545 1.453,546 1.261,547 0.624,548 0.455,549 0.378,550 0.188,551 13099,552 31613,553 2.16,554 46.6,556 14,558 1,559 2,561 10,564 1.739,565 2.044,566 3.47,567 0.257,569 1,573 91.622,574 1.58,575 3.719,576 4.66,577 4.97,578 5.073,579 5.073,580 2.933,581 4.349,582 4.918,583 3.677,584 1709.64,585 8.612,586 23924.7,588 1,590 1,591 339.763,592 1.332,593 4.896,594 0.186,595 0.01,596 0.062,597 0.037,598 0.031,599 0.026,600 0.013,601 0.01,602 0.011,603 0.007,604 0.394,605 0.17,606 0.88,607 1.22,608 160.088,609 -0.001,610 -0.247,611 0.08,612 -0.108,613 -0.024,614 -0.018,615 0.121,616 -0.008,617 0.087,618 -0.007,619 0.138,620 0.025,621 -0.138,622 -0.077,623 0.018,624 0.081,625 -0.041,626 0.071,627 -0.048,628 0.12,629 -0.008,630 0.051,631 -0.007,632 0.034,633 -0.103,634 -0.081,635 -0.005,636 0.023,637 -0.132,638 0.025,639 -0.181,640 0.096,641 -0.14,642 0.015,643 -0.129,644 -0.039,645 -0.023,646 -0.126,647 -0.261,648 -0.24,649 -0.074,650 -0.28,651 0.165,652 0.055,653 -0.057,654 -0.12,655 0.111,656 -0.125,657 1.885,658 4.76,659 0.742,660 33.617,661 1.004,662 1.139,663 3.266,664 10.67,665 0.648,666 3.584,667 3.932,668 4.248,669 4.575,670 4.828,671 5.03,672 5.236,673 5.416,674 5.58,675 5.727,676 6.904,677 0.618,678 421.56,679 3.584,680 5.142,681 6.014,682 6.913,683 7.804,684 8.712,685 9.613,686 10.526,687 11.434,688 12.35,689 12.1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 58,733 17,734 1,735 35,737 62,738 22,739 11,740 2,741 4,746 5,747 7,751 1,752 2,755 4,758 4,761 12,762 10,766 1,771 1,775 1,778 1,781 27,782 8,783 2,784 9,790 7,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,844 2,848 31,854 6,855 2,856 1,858 2,859 1,870 3.4,873 1,874 1,877 15.167,878 10.917,879 6.806,880 3.915,881 3.154,882 1.382,883 1.004,884 5.613,885 11.415,886 3.807,887 4.404,888 5.015,889 5.65,890 6.211,891 6.657,892 7.167,893 7.637,894 7.987,895 8.386,896 0.875,897 50,898 11.492,900 4.951,901 7.624,902 22.327,904 18.826,905 2.124,906 65.833,909 1,910 294.278,911 97.257,912 91.156,914 36.145,917 97.257,918 330.422,919 91.156,920 17.65,921 49.513,922 37.905,923 99.865,924 24.792,925 6.604,926 282.506,928 294.278,929 188.413,930 36.145,933 178.894,934 142.856,935 11,937 79.703,938 56.148,939 50.234,941 294.278,942 127.301,943 97.257,946 294.278,947 32.654,948 69.504,949 36.022,950 86.379,951 294.278,952 127.301,953 97.257,955 0.579,956 0.343,957 0.194,958 0.102,959 26,960 11,961 0.081,962 5,963 3,964 1.217,965 4.229,966 295.794,967 0.261,968 22,969 143.58,974 20.375,975 8.54,976 4.032,977 1.812,978 125.525,979 9.465,980 14.326,984 3.189,985 1.907,986 36.022,987 518.836,988 44,993 11.76,997 -0.219,999 58.203,1000 66.059,1001 0.27,1002 0.635,1003 0.795,1004 0.848,1005 0.866,1006 0.866,1007 5.069,1008 1.76,1009 6.004,1010 5.504,1011 4.615,1012 5.091,1013 2.109,1014 6.841,1015 4.513,1016 6.263,1017 1.497,1018 7.572,1019 5.433,1020 4.205,1021 4.934,1022 1.305,1023 7.751,1024 4.054,1025 7.574,1026 1.241,1027 9.236,1028 4.288,1029 6.232,1030 7.293,1031 2.545,1032 10.873,1033 6.026,1034 8.92,1035 1.02,1036 10.956,1037 3.587,1038 6.648,1039 8.011,1040 2.354,1041 12.621,1042 6.387,1043 10.3,1044 1,1045 12.714,1046 2.275,1047 8.128,1048 9.854,1049 3.285,1050 15.261,1051 7.817,1052 11.705,1053 0.882,1054 14.497,1055 2.23,1056 8.927,1057 10.99,1058 3.414,1059 17.376,1060 8.559,1061 13.13,1062 0.681,1063 16.301,1064 1.685,1065 10.193,1066 12.634,1067 4.168,1068 19.857,1069 9.776,1070 3.264,1071 0.319,1072 18.121,1073 1.651,1074 11.176,1075 13.974,1076 4.466,1077 22.14,1078 10.701,1079 2.882,1080 11.414,1081 19.954,1082 0.524,1083 12.359,1084 15.539,1085 5.115,1086 24.572,1087 11.835,1088 2.791,1089 9.109,1090 21.798,1091 4.627,1092 13.431,1093 16.977,1094 5.504,1095 26.931,1096 12.85,1097 2.538,1098 8.943,1099 23.651,1100 3.791,1101 14.588,1102 18.514,1103 6.092,1104 29.352,1105 13.956,1106 2.446,1107 7.725,1108 25.513,1109 3.319,1110 15.703,1111 19.999,1112 6.531,1113 31.747,1114 15.015,1115 2.081,1116 7.341,1117 27.382,1118 3.162,1119 16.855,1120 21.527,1121 7.084,1122 34.169,1123 16.115,1124 1.879,1125 5.638,1126 29.256,1127 2.769,1128 17.994,1129 23.034,1130 7.551,1131 36.582,1132 17.198,1133 12302,1134 19246,1135 23.868,1136 37.563,1137 52.932,1138 53.825,1139 54.238,1140 52.567,1141 52.562,1142 65.852,1143 7.126,1144 154.692,1145 49.962,1146 5.675,1147 5.545,1148 6.617,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 13.28,1156 1.512,1157 1.538,1158 1.55,1159 1.502,1160 1.502,1161 1.881,1162 0.204,1163 4.42,1164 1.427,1165 4.131,1166 4.181,1167 4.107,1168 3.975,1169 7.431,1170 4,1171 3.902,1172 3.941,1173 3.84,1174 3.8,1175 5.136,1176 3.805,1177 3.884,1178 3.928,1179 3.793,1180 3.717,1181 4.754,1182 3.728,1183 3.621,1184 3.694,1185 3.52,1186 3.38,1187 4.67,1188 3.396,1189 3.469,1190 3.549,1191 3.345,1192 3.275,1193 4.487,1194 3.273,1195 3.274,1196 3.341,1197 3.131,1198 3.064,1199 4.22,1200 3.079,1201 3.204,1202 3.298,1203 3.022,1204 2.98,1205 4.038,1206 2.981,1207 3.093,1208 3.176,1209 2.974,1210 2.951,1211 3.915,1212 2.926,1213 0.134,1214 0.101,1215 0.196,1216 0.12,1217 0.093,1218 4.675,1219 0.132,1220 3.545,1221 0.047,1222 6.845,1223 0.326,1224 4.211,1225 0.088,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.92,1233 2.028,1234 2.085,1235 1.255,1236 2.065,1237 1.794,1238 1.756,1239 1.909,1240 1.956,1241 1.224,1242 1.945,1243 1.62,1244 1.558,1245 1.86,1246 1.877,1247 1.111,1248 1.865,1249 1.604,1250 1.543,1251 1.85,1252 1.814,1253 1.043,1254 1.822,1255 1.557,1256 1.477,1257 1.842,1258 1.76,1259 0.988,1260 1.798,1261 1.506,1262 1.441,1263 1.68,1264 1.709,1265 0.835,1266 1.705,1267 1.194,1268 1.139,1269 1.363,1270 1.466,1271 0.496,1272 1.448,1273 1.074,1274 0.992,1275 1.286,1276 1.382,1277 0.354,1278 1.373,1279 4.263,1281 5.602,1282 3.045,1283 7.133,1284 5.416,1285 8.755,1286 7.506,1287 10.429,1289 3.944,1295 5.217,1296 5.544,1297 6.019,1299 0.543,1300 2.325,1305 35.847,1306 91.622,1307 215.715,1308 270.253,1309 288.253,1310 294.253,1311 294.253,1312 45.562,1313 8.261,1314 97.2,1315 97.2,1316 28,1317 12.863,1318 4.17,1319 3.322,1320 43.558,1321 125,1322 167,1323 0.168,1324 216.968,1325 368.12,1326 521.163,1327 44736,1329 21.372,1330 0.689,1331 0.575,1332 21.372,1333 17.837,1334 15.14,1335 0.433,1336 0.312,1337 10.754,1338 14.427,1339 10.542,1340 8.691,1341 15.14,1342 10.935,1343 13.656,1344 0.273,1345 0.16,1346 13.656,1347 7.993,1348 11.853,1349 0.172,1350 0.085,1351 11.853,1352 5.857,1353 10.471,1354 0.109,1355 0.046,1356 10.471,1357 4.368,1358 8.28,1359 0.067,1360 0.024,1361 8.28,1362 2.961,1363 0.262,1364 95.515,1365 0.205,1366 28.939,1367 0.467,1368 170,1369 476.362,1370 191.186,1371 454.951,1372 639.18,1373 430,1374 204,1375 492.299,1376 226.217,1377 489.248,1378 727.62,1379 464,1380 5.903}
{0 CHEMBL585126,1 1.559,2 12.559,3 2.092,4 4.375,5 130.003,6 7.04,7 0.421,8 4.297,9 4.438,10 3.827,11 3.744,12 5.309,13 3.735,14 4.887,15 5.095,16 4.203,17 4.155,18 5.867,19 4.127,20 5.126,21 5.357,22 4.216,23 4.301,24 6.053,25 4.23,26 5.168,27 5.44,28 4.182,29 4.278,30 6.087,31 4.19,32 5.054,33 5.294,34 4.221,35 4.249,36 6.036,37 4.197,38 5.047,39 5.262,40 4.259,41 4.32,42 6.029,43 4.27,44 5.115,45 5.328,46 4.203,47 4.365,48 6.053,49 4.272,50 5.17,51 5.437,52 4.052,53 4.307,54 6.024,55 4.169,56 0.05,57 1.052,58 15.073,59 5.309,60 10.202,61 7.989,62 0.467,63 1.647,64 29.785,65 8.638,66 34.888,67 13.502,68 0.547,69 1.924,70 38.818,71 11.131,72 47.651,73 17.554,74 0.576,75 1.927,76 41.298,77 11.545,78 58.499,79 18.748,80 0.473,81 1.827,82 36.114,83 10.047,84 53.734,85 16.261,86 0.447,87 1.944,88 34.854,89 9.858,90 45.216,91 15.791,92 0.488,93 2.003,94 37.025,95 11.899,96 42.258,97 18.408,98 0.492,99 1.883,100 40.731,101 13.577,102 57.339,103 20.898,104 30,105 54,106 0.247,107 0.581,108 0.758,109 0.814,110 0.814,111 0.814,112 3.561,113 0.943,114 -4.19,115 -4.13,116 -3.91,119 36.4,120 1,121 2,124 2,125 5,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 3,183 4,186 3,187 6,192 2,195 2,198 6,199 9,204 4,207 1,211 2,212 11,217 2,220 4,224 7,227 2,229 1,232 4,236 5,237 10,245 4,249 2,250 4,253 4,255 1,258 5,263 4,266 1,271 4,275 2246,276 23.143,277 23.143,278 23.143,279 23.143,280 23.143,281 21.23,282 30.388,283 13.667,284 23.806,285 18.789,286 18.789,287 18.789,288 18.789,289 18.789,290 15.719,291 39.939,292 6.517,293 19.857,294 4.485,295 2.384,296 1.265,297 0.913,298 0.913,299 0.913,300 4.268,305 1,306 934,307 4,310 157.494,311 283.42,312 102.894,314 143.015,318 1.905,319 28.254,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 74,331 427,332 4.676,333 3.545,334 6.846,335 4.213,336 3.265,337 4.627,338 1.656,339 11.42,340 3.094,341 4.171,342 3.4,343 6.155,344 3.816,345 2.883,346 3.792,347 0.86,348 9.127,349 2.738,350 3.988,351 3.151,352 6.11,353 3.765,354 2.794,355 3.322,356 0.8,357 8.949,358 2.661,359 3.835,360 2.803,361 5.653,362 3.5,363 2.543,364 3.162,365 0.8,366 7.744,367 2.429,368 3.656,369 2.741,370 5.471,371 3.394,372 2.459,373 2.771,374 0.247,375 7.341,376 2.29,377 3.464,378 2.539,379 5.038,380 3.103,381 2.191,382 2.698,384 5.659,385 2.026,386 3.22,387 2.411,388 4.879,389 3.059,390 2.08,391 2.246,393 5.638,394 1.996,395 2.966,396 2.093,397 4.821,398 2.839,399 1.879,400 2.166,402 5.49,403 1.794,404 2.925,405 1.944,406 4.638,407 2.671,408 1.729,409 1.995,411 4.99,412 1.623,413 2.879,414 1.536,415 4.423,416 2.447,417 1.497,418 1.879,420 4.288,421 1.417,422 2.624,423 1.51,424 4.269,425 2.168,426 1.237,427 1.668,428 3.613,429 1.15,430 2.5,431 1.328,432 3.666,433 2,434 1.02,435 1.5,436 2.275,437 1,438 2.218,439 1,440 3.414,441 1.987,442 1,443 1.146,445 2.262,446 0.979,447 2.12,448 0.967,449 3.271,450 1.83,451 0.886,452 1.07,454 1.685,455 0.833,456 1.701,457 0.952,458 3.119,459 1.611,460 0.685,461 0.693,463 1.664,464 0.628,465 15.867,466 0.467,467 0.848,468 0.025,469 40.5,470 1.191,471 16.5,472 0.485,473 24,474 0.706,475 33.046,476 0.972,477 38.133,478 0.578,479 32.864,480 0.967,481 7.77,482 0.229,483 8.726,484 0.257,485 0.116,487 0.359,493 0.839,494 1.653,495 0.822,496 1.298,497 0.643,498 1.087,499 1.046,500 1.071,501 0.895,502 0.923,503 0.594,504 0.882,505 1.242,506 1.172,507 1.05,508 1.027,509 0.991,510 1.019,511 0.861,512 0.928,513 0.872,514 0.872,515 0.927,516 0.864,517 1.109,518 1.08,519 0.881,520 0.859,521 1.326,522 0.832,523 1.209,524 1.082,525 1.114,526 0.97,527 1.018,528 0.998,529 0.857,530 1.242,531 1.206,532 1.296,533 0.703,534 1.298,535 0.543,536 1.015,537 0.952,538 1.147,539 0.48,540 1.119,541 7.5,542 0.32,543 3.333,544 1.854,545 1.533,546 1.427,547 0.755,548 0.521,549 0.517,550 0.248,551 16454,552 38582,553 2.127,554 48.5,556 22,558 1,559 2,561 7,564 1.765,565 2,566 3.55,567 0.235,573 102.891,574 1.559,575 3.661,576 4.779,577 5.131,578 5.131,579 5.131,580 3.058,581 4.735,582 5.049,583 3.761,584 2109.98,585 8.892,586 31903,591 398.93,592 1.379,593 5.023,594 0.197,595 0.01,596 0.062,597 0.035,598 0.03,599 0.026,600 0.013,601 0.01,602 0.012,603 0.006,604 0.402,605 0.33,606 0.75,607 1.384,608 181.07,609 0.008,610 -0.328,611 0.085,612 -0.147,613 -0.017,614 -0.039,615 0.059,616 0.094,617 0.084,618 0.085,619 0.137,620 0.089,621 -0.116,622 -0.112,623 -0.063,624 -0.026,625 -0.063,626 -0.041,627 0.041,628 0.078,629 0.114,630 0.083,631 0.049,632 0.107,633 -0.072,634 -0.013,635 0.104,636 0.13,637 -0.067,638 0.144,639 -0.219,640 0.104,641 -0.149,642 0.033,643 -0.156,644 -0.028,645 -0.007,646 -0.09,647 -0.267,648 -0.245,649 -0.106,650 -0.289,651 0.157,652 -0.03,653 -0.006,654 -0.113,655 0.134,656 -0.091,657 1.887,658 4.833,659 0.676,660 42.125,661 1.001,662 1.142,663 2.962,664 8.771,665 0.638,666 3.664,667 4.007,668 4.29,669 4.615,670 4.883,671 5.094,672 5.313,673 5.513,674 5.687,675 5.852,676 7.344,677 0.605,678 464.64,679 3.664,680 5.22,681 6.08,682 6.974,683 7.858,684 8.763,685 9.66,686 10.571,687 11.476,688 12.391,689 12.1,692 1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 66,733 17,734 1,735 38,737 70,738 24,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 4,758 4,761 12,762 12,766 1,771 1,775 1,781 32,782 9,783 2,784 10,790 8,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,836 1,839 1,840 3,844 3,848 34,854 7,855 2,856 1,858 2,859 2,870 3,873 1,874 1,877 17,878 12.617,879 7.389,880 4.165,881 3.125,882 1.371,883 0.989,884 6.794,885 11.547,886 3.871,887 4.451,888 5.035,889 5.668,890 6.237,891 6.691,892 7.212,893 7.692,894 8.052,895 8.462,896 1,897 53,898 12.608,900 5.366,901 7.598,902 24.557,904 20.493,905 2.098,906 71.333,910 353.133,911 107.33,912 94.281,914 36.145,917 107.33,918 389.278,919 94.281,920 25.618,921 51.619,922 37.905,923 99.865,924 27.916,925 6.604,926 341.362,928 353.133,929 201.611,930 36.145,933 273.063,934 107.543,935 11,937 76.108,938 72.941,939 50.234,941 353.133,942 130.426,943 107.33,946 353.133,947 34.76,948 80.596,949 36.022,950 86.379,951 353.133,952 130.426,953 107.33,955 0.581,956 0.326,957 0.18,958 0.1,959 27,960 12,961 0.1,962 7,963 3,964 1.217,965 4.454,966 331.99,967 0.261,968 22,969 160.974,974 23.184,975 9.963,976 5.108,977 1.809,978 128.649,979 9.513,980 14.592,984 3.177,985 1.962,986 36.022,987 590.889,988 47,993 11.833,997 -0.22,999 66.072,1000 75.388,1001 0.258,1002 0.606,1003 0.791,1004 0.849,1005 0.849,1006 0.849,1007 5.136,1008 1.879,1009 6.071,1010 5.638,1011 4.691,1012 5.139,1013 2.219,1014 6.893,1015 4.584,1016 6.324,1017 1.729,1018 7.63,1019 5.49,1020 4.29,1021 4.977,1022 1.404,1023 7.781,1024 4.127,1025 7.628,1026 1.497,1027 9.285,1028 4.99,1029 6.293,1030 7.314,1031 2.581,1032 10.898,1033 6.079,1034 8.965,1035 1.237,1036 10.997,1037 4.288,1038 6.698,1039 8.024,1040 2.382,1041 12.633,1042 6.427,1043 10.337,1044 1.02,1045 12.746,1046 3.613,1047 8.172,1048 9.863,1049 3.295,1050 15.273,1051 7.853,1052 11.735,1053 1,1054 14.523,1055 2.275,1056 8.958,1057 10.994,1058 3.421,1059 17.384,1060 8.582,1061 13.154,1062 0.886,1063 16.322,1064 2.262,1065 10.222,1066 12.637,1067 4.17,1068 19.866,1069 9.798,1070 3.265,1071 0.685,1072 18.137,1073 1.685,1074 11.196,1075 13.975,1076 4.467,1077 22.147,1078 10.716,1079 2.883,1080 11.42,1081 19.967,1082 1.664,1083 12.379,1084 15.54,1085 5.115,1086 24.58,1087 11.85,1088 2.794,1089 9.127,1090 21.808,1091 4.627,1092 13.445,1093 16.978,1094 5.504,1095 26.939,1096 12.86,1097 2.543,1098 8.949,1099 23.66,1100 3.792,1101 14.601,1102 18.515,1103 6.092,1104 29.36,1105 13.966,1106 2.459,1107 7.744,1108 25.52,1109 3.322,1110 15.714,1111 20,1112 6.531,1113 31.756,1114 15.024,1115 2.191,1116 7.341,1117 27.388,1118 3.162,1119 16.866,1120 21.528,1121 7.084,1122 34.178,1123 16.123,1124 2.08,1125 5.659,1126 29.262,1127 2.771,1128 18.003,1129 23.035,1130 7.551,1131 36.591,1132 17.206,1133 15627,1134 24085,1135 25.66,1136 42.091,1137 57.66,1138 58.378,1139 58.576,1140 57.202,1141 57.156,1142 70.452,1143 8.726,1144 166.361,1145 54.137,1146 5.676,1147 5.545,1148 6.618,1149 5.319,1150 5.265,1151 7.627,1152 2.912,1153 18.861,1154 5.094,1155 16.402,1156 1.517,1157 1.536,1158 1.541,1159 1.505,1160 1.504,1161 1.854,1162 0.23,1163 4.378,1164 1.425,1165 4.134,1166 4.184,1167 4.109,1168 3.976,1169 7.431,1170 4.002,1171 3.902,1172 3.942,1173 3.84,1174 3.8,1175 5.136,1176 3.806,1177 3.885,1178 3.93,1179 3.794,1180 3.717,1181 4.753,1182 3.728,1183 3.657,1184 3.741,1185 3.539,1186 3.431,1187 4.67,1188 3.441,1189 3.604,1190 3.68,1191 3.479,1192 3.371,1193 4.49,1194 3.383,1195 3.354,1196 3.439,1197 3.257,1198 3.112,1199 4.299,1200 3.136,1201 3.258,1202 3.329,1203 3.116,1204 3.031,1205 4.22,1206 3.044,1207 3.121,1208 3.212,1209 2.979,1210 2.951,1211 4.014,1212 2.926,1213 0.123,1214 0.093,1215 0.18,1216 0.111,1217 0.086,1218 4.676,1219 0.122,1220 3.545,1221 0.044,1222 6.846,1223 0.301,1224 4.213,1225 0.081,1226 3.265,1227 4.627,1228 1.656,1229 11.42,1230 3.094,1231 1.951,1232 1.921,1233 2.029,1234 2.086,1235 1.255,1236 2.066,1237 1.796,1238 1.757,1239 1.921,1240 1.96,1241 1.227,1242 1.952,1243 1.666,1244 1.59,1245 1.886,1246 1.923,1247 1.155,1248 1.915,1249 1.604,1250 1.543,1251 1.86,1252 1.823,1253 1.102,1254 1.826,1255 1.567,1256 1.506,1257 1.843,1258 1.76,1259 0.989,1260 1.798,1261 1.541,1262 1.471,1263 1.711,1264 1.754,1265 0.873,1266 1.748,1267 1.344,1268 1.25,1269 1.602,1270 1.639,1271 0.722,1272 1.625,1273 1.185,1274 1.13,1275 1.417,1276 1.463,1277 0.496,1278 1.444,1279 4.344,1281 5.68,1282 3.045,1283 7.198,1284 5.416,1285 8.806,1286 7.506,1287 10.47,1289 5.992,1295 6.06,1296 5.567,1297 6.057,1299 0.52,1300 4.471,1305 39.922,1306 102.891,1307 241.614,1308 315.446,1309 338.665,1310 338.665,1311 338.665,1312 53.316,1313 8.422,1314 100.44,1315 100.44,1316 28,1317 12.905,1318 4.17,1319 3.322,1320 49.763,1321 145,1322 194,1323 0.165,1324 242.947,1325 413.72,1326 584.551,1327 53451,1329 23.656,1330 0.696,1331 0.588,1332 23.656,1333 19.991,1334 16.496,1335 0.434,1336 0.314,1337 11.717,1338 15.67,1339 11.416,1340 9.455,1341 16.496,1342 11.938,1343 15.219,1344 0.282,1345 0.17,1346 15.219,1347 9.203,1348 12.444,1349 0.173,1350 0.088,1351 12.444,1352 6.317,1353 10.87,1354 0.109,1355 0.046,1356 10.87,1357 4.595,1358 8.801,1359 0.067,1360 0.024,1361 8.801,1362 3.177,1363 0.257,1364 104.431,1365 0.197,1366 31.258,1367 0.459,1368 184,1369 510.007,1370 206.602,1371 487.648,1372 679.22,1373 460,1374 218,1375 515.708,1376 242.243,1377 516.96,1378 763.18,1379 486,1380 5.505}
{0 CHEMBL585206,1 1.534,2 15.949,3 3.603,4 12.982,5 150.304,6 7.215,7 0.5,8 4.399,9 4.533,10 3.953,11 3.893,12 5.434,13 3.88,14 4.972,15 5.166,16 4.336,17 4.305,18 5.974,19 4.275,20 5.216,21 5.43,22 4.356,23 4.451,24 6.173,25 4.381,26 5.28,27 5.549,28 4.31,29 4.43,30 6.208,31 4.339,32 5.146,33 5.366,34 4.313,35 4.394,36 6.17,37 4.327,38 5.177,39 5.406,40 4.301,41 4.41,42 6.148,43 4.341,44 5.155,45 5.377,46 4.267,47 4.406,48 6.096,49 4.32,50 5.188,51 5.437,52 4.096,53 4.367,54 6.132,55 4.235,56 0.048,57 1.165,58 15.887,59 6.163,60 11.498,61 8.703,62 0.439,63 1.868,64 31.14,65 10.17,66 35.728,67 14.838,68 0.475,69 2.228,70 41.019,71 13.148,72 50.391,73 19.415,74 0.543,75 2.273,76 45.657,77 13.969,78 60.784,79 21.579,80 0.359,81 2.071,82 38.114,83 12.534,84 57.215,85 18.579,86 0.511,87 2.142,88 39.79,89 12.276,90 56.057,91 18.318,92 0.442,93 2.096,94 38.263,95 12.757,96 41.721,97 19.059,98 0.631,99 2.019,100 40.966,101 14.184,102 69.726,103 20.746,104 22,105 63,106 0.236,107 0.584,108 0.747,109 0.793,110 0.805,111 0.809,112 3.693,113 0.921,114 -5.24,115 -5.13,116 -4.8,119 39.7,120 1,121 2,124 2,125 4,127 2,142 8,143 3,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 9,174 3,175 11,178 2,179 1,180 4,183 8,186 2,187 9,192 4,195 4,198 5,199 13,204 6,207 2,211 1,212 12,217 4,220 4,224 10,227 3,229 2,232 7,236 3,237 9,245 12,249 3,250 2,253 5,255 1,258 14,263 3,266 1,271 10,275 3217,276 26.607,277 26.607,278 26.607,279 26.607,280 26.607,281 23.971,282 36.142,283 15.492,284 27.253,285 21.734,286 21.734,287 21.734,288 21.734,289 21.734,290 17.59,291 49.632,292 7.385,293 22.792,294 4.656,295 2.402,296 1.339,297 1.045,298 0.963,299 0.935,300 4.408,305 1,306 1392,307 4,310 196.435,311 496.306,312 126.893,314 179.108,318 2.522,319 29.946,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 84,331 622,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.817,345 2.882,346 3.792,347 0.916,348 9.109,349 2.741,350 4.072,351 3.148,352 6.11,353 3.769,354 2.799,355 3.653,356 0.86,357 8.944,358 2.663,359 3.985,360 2.918,361 5.65,362 3.693,363 2.716,364 3.319,365 0.8,366 7.758,367 2.651,368 3.83,369 2.795,370 5.61,371 3.498,372 2.535,373 3.164,374 0.247,375 7.718,376 2.435,377 3.658,378 2.72,379 5.451,380 3.382,381 2.451,382 2.892,383 0.172,384 7.291,385 2.275,386 3.584,387 2.513,388 5.237,389 3.264,390 2.308,391 2.762,393 6.689,394 2.204,395 3.312,396 2.399,397 5.009,398 2.935,399 1.97,400 2.514,402 5.638,403 1.893,404 2.985,405 2.093,406 4.879,407 2.839,408 1.879,409 2.156,411 5.443,412 1.794,413 2.966,414 2.087,415 4.666,416 2.719,417 1.769,418 2.057,420 5.084,421 1.672,422 2.936,423 1.961,424 4.427,425 2.697,426 1.734,427 1.995,428 4.468,429 1.657,430 2.879,431 1.535,432 4.365,433 2.429,434 1.472,435 1.879,436 4.215,437 1.402,438 2.625,439 1.326,440 4.279,441 2.17,442 1.237,443 1.668,445 3.585,446 1.152,447 2.5,448 1,449 3.664,450 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 18.367,466 0.471,467 0.985,468 0.025,469 50,470 1.282,471 23,472 0.59,473 27,474 0.692,475 36.409,476 0.934,477 42.233,478 0.579,479 41.335,480 1.06,481 9.628,482 0.247,483 9.317,484 0.239,485 0.1,487 0.365,493 0.83,494 1.497,495 0.799,496 1.187,497 0.654,498 1.015,499 1.021,500 1.053,501 0.876,502 0.916,503 0.596,504 0.875,505 1.256,506 1.24,507 1.078,508 1.085,509 0.992,510 1.067,511 0.838,512 0.907,513 0.867,514 0.861,515 0.774,516 0.854,517 1.078,518 1.194,519 0.968,520 1.06,521 1.414,522 1.007,523 1.231,524 0.966,525 1.083,526 0.935,527 1.308,528 0.969,529 0.901,530 1.164,531 1.073,532 1.136,533 0.736,534 1.123,535 0.78,536 0.864,537 1.12,538 1.097,539 0.969,540 1.148,541 9,542 0.241,543 3.556,544 2.354,545 1.995,546 1.552,547 0.927,548 0.467,549 0.513,550 0.291,551 28238,552 63923,553 2.155,554 46.6,556 24,558 1,559 2,561 7,564 1.79,565 2.035,566 3.87,567 0.162,573 112.002,574 1.534,575 3.788,576 4.85,577 5.145,578 5.227,579 5.255,580 3.352,581 4.702,582 5.252,583 4.136,584 3065.1,585 9.242,586 53972.7,591 451.857,592 1.348,593 5.226,594 0.205,595 0.008,596 0.056,597 0.038,598 0.034,599 0.026,600 0.016,601 0.008,602 0.011,603 0.007,604 0.409,605 0.17,606 0.75,607 0.828,608 221.499,609 0.015,610 -0.246,611 0.082,612 -0.103,613 -0.028,614 -0.018,615 0.081,616 0.095,617 0.082,618 0.078,619 0.136,620 0.08,621 -0.126,622 -0.18,623 -0.104,624 -0.09,625 -0.06,626 -0.099,627 0.041,628 0.096,629 0.123,630 0.094,631 0.104,632 0.119,633 -0.06,634 -0.141,635 -0.002,636 -0.055,637 -0.059,638 -0.025,639 -0.157,640 0.114,641 -0.104,642 0.032,643 -0.162,644 -0.016,645 0.009,646 -0.094,647 -0.12,648 -0.132,649 -0.027,650 -0.14,651 0.109,652 0.134,653 -0.151,654 -0.095,655 0.025,656 -0.151,657 1.961,658 5.584,659 0.744,660 52.652,661 0.999,662 1.134,663 4.015,664 16.116,665 0.656,666 3.807,667 4.159,668 4.443,669 4.762,670 5.011,671 5.176,672 5.384,673 5.541,674 5.694,675 5.844,676 9.302,677 0.623,678 526.71,679 3.807,680 5.371,681 6.232,682 7.127,683 8.006,684 8.906,685 9.795,686 10.699,687 11.595,688 12.501,689 11,692 1,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 73,733 23,734 2,735 44,737 78,738 29,739 17,740 4,741 8,746 6,747 8,751 1,752 1,755 4,758 4,761 18,762 11,766 1,771 1,775 1,781 34,782 9,783 2,784 10,790 8,794 0.667,795 2,801 1,803 1,806 1,811 2,812 4,813 1,815 1,836 1,839 1,840 4,844 3,848 39,854 6,855 2,856 1,858 2,859 2,870 2.7,873 1,874 1,877 19.167,878 13.95,879 8.389,880 4.533,881 4.135,882 1.46,883 1.009,884 7.323,885 13.12,886 4.043,887 4.647,888 5.23,889 5.856,890 6.412,891 6.787,892 7.277,893 7.721,894 8.055,895 8.462,896 1,897 62,898 14.454,900 6.205,901 7.581,902 28.118,904 23.623,905 2.081,906 81.167,910 376.675,911 149.072,912 94.281,914 36.145,917 149.072,918 412.82,919 94.281,920 25.618,921 49.513,922 75.81,923 99.865,924 33.858,925 6.604,926 364.904,928 376.675,929 243.353,930 36.145,933 296.605,934 107.543,935 11,937 74.002,938 116.788,939 50.234,941 376.675,942 130.426,943 149.072,946 376.675,947 38.596,948 118.501,949 36.022,950 86.379,951 376.675,952 130.426,953 149.072,955 0.586,956 0.334,957 0.188,958 0.103,959 32,960 14,961 0.09,962 7,963 3,964 1.172,965 4.993,966 394.41,967 0.207,968 28,969 190.131,974 25.902,975 11.026,976 5.679,977 1.793,978 128.649,979 17.336,980 14.455,984 5.039,985 1.909,986 36.022,987 656.173,988 56,993 12.584,997 -0.295,999 72.956,1000 82.803,1001 0.248,1002 0.612,1003 0.784,1004 0.831,1005 0.844,1006 0.849,1007 5.306,1008 1.97,1009 6.225,1010 6.689,1011 4.844,1012 5.335,1013 2.277,1014 7.041,1015 4.751,1016 6.505,1017 1.879,1018 7.781,1019 5.638,1020 4.443,1021 5.147,1022 1.404,1023 7.908,1024 4.296,1025 7.81,1026 1.769,1027 9.43,1028 5.443,1029 6.447,1030 7.519,1031 2.617,1032 11.012,1033 6.259,1034 9.146,1035 1.734,1036 11.134,1037 5.084,1038 6.836,1039 8.171,1040 2.398,1041 12.714,1042 6.59,1043 10.515,1044 1.472,1045 12.873,1046 4.468,1047 8.313,1048 10.036,1049 3.311,1050 15.342,1051 8.027,1052 11.907,1053 1.237,1054 14.64,1055 4.215,1056 9.079,1057 11.11,1058 3.429,1059 17.428,1060 8.733,1061 13.318,1062 1,1063 16.427,1064 3.585,1065 10.341,1066 12.765,1067 4.176,1068 19.899,1069 9.955,1070 3.264,1071 1,1072 18.231,1073 2.275,1074 11.297,1075 14.06,1076 4.471,1077 22.167,1078 10.85,1079 2.882,1080 11.414,1081 20.049,1082 2.275,1083 12.474,1084 15.627,1085 5.117,1086 24.593,1087 11.983,1088 2.799,1089 9.109,1090 21.88,1091 4.627,1092 13.525,1093 17.037,1094 5.506,1095 26.945,1096 12.974,1097 2.716,1098 8.944,1099 23.722,1100 3.792,1101 14.675,1102 18.571,1103 6.093,1104 29.362,1105 14.075,1106 2.535,1107 7.758,1108 25.573,1109 3.653,1110 15.775,1111 20.039,1112 6.532,1113 31.754,1114 15.117,1115 2.451,1116 7.718,1117 27.433,1118 3.319,1119 16.92,1120 21.563,1121 7.084,1122 34.174,1123 16.21,1124 2.308,1125 7.291,1126 29.3,1127 3.164,1128 18.048,1129 23.06,1130 7.551,1131 36.585,1132 17.28,1133 25979,1134 39306,1135 29.937,1136 47.853,1137 66.839,1138 67.505,1139 67.805,1140 66.337,1141 66.299,1142 83.929,1143 9.304,1144 193.846,1145 63.265,1146 5.675,1147 5.562,1148 6.387,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 18.037,1156 1.519,1157 1.534,1158 1.541,1159 1.508,1160 1.507,1161 1.907,1162 0.211,1163 4.406,1164 1.438,1165 4.134,1166 4.184,1167 4.109,1168 3.98,1169 7.431,1170 4.004,1171 3.951,1172 3.99,1173 3.892,1174 3.863,1175 5.137,1176 3.864,1177 3.9,1178 3.941,1179 3.822,1180 3.798,1181 4.771,1182 3.801,1183 3.869,1184 3.909,1185 3.79,1186 3.716,1187 4.734,1188 3.726,1189 3.577,1190 3.662,1191 3.469,1192 3.336,1193 4.67,1194 3.352,1195 3.486,1196 3.563,1197 3.374,1198 3.282,1199 4.484,1200 3.285,1201 3.388,1202 3.443,1203 3.284,1204 3.138,1205 4.285,1206 3.171,1207 3.205,1208 3.299,1209 3.038,1210 2.983,1211 4.046,1212 2.986,1213 0.106,1214 0.081,1215 0.156,1216 0.096,1217 0.074,1218 4.675,1219 0.105,1220 3.562,1221 0.038,1222 6.845,1223 0.259,1224 4.211,1225 0.07,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.953,1232 1.922,1233 2.042,1234 2.086,1235 1.255,1236 2.067,1237 1.918,1238 1.888,1239 2.023,1240 2.029,1241 1.224,1242 2.031,1243 1.792,1244 1.755,1245 1.908,1246 1.943,1247 1.185,1248 1.938,1249 1.62,1250 1.557,1251 1.86,1252 1.875,1253 1.11,1254 1.864,1255 1.604,1256 1.543,1257 1.85,1258 1.787,1259 1.043,1260 1.798,1261 1.522,1262 1.445,1263 1.789,1264 1.76,1265 0.879,1266 1.792,1267 1.507,1268 1.432,1269 1.681,1270 1.717,1271 0.835,1272 1.709,1273 1.271,1274 1.221,1275 1.425,1276 1.555,1277 0.529,1278 1.519,1279 4.489,1281 5.832,1282 3.045,1283 7.356,1284 5.416,1285 8.965,1286 7.506,1287 10.623,1289 6.121,1295 5.432,1296 5.793,1297 6.056,1299 0.511,1300 4.432,1305 45.449,1306 112.002,1307 276.531,1308 354.083,1309 375.593,1310 381.593,1311 383.593,1312 59.915,1313 8.985,1314 100.44,1315 100.44,1316 34,1317 13.021,1318 4.585,1319 3.7,1320 55.515,1321 217,1322 251,1323 0.122,1324 274.733,1325 469.04,1326 662.11,1327 123335,1329 26.932,1330 0.691,1331 0.579,1332 26.932,1333 22.593,1334 18.945,1335 0.431,1336 0.307,1337 13.291,1338 18.129,1339 12.936,1340 10.722,1341 18.945,1342 13.51,1343 17.619,1344 0.28,1345 0.167,1346 17.619,1347 10.522,1348 14.578,1349 0.174,1350 0.086,1351 14.578,1352 7.23,1353 12.895,1354 0.111,1355 0.046,1356 12.895,1357 5.384,1358 10.414,1359 0.07,1360 0.025,1361 10.414,1362 3.661,1363 0.197,1364 119.082,1365 0.183,1366 35.724,1367 0.317,1368 214,1369 574.007,1370 236.935,1371 555.74,1372 778.24,1373 524,1374 254,1375 594.271,1376 278.715,1377 600.17,1378 883.88,1379 564,1380 6.58}
{0 CHEMBL585397,1 1.531,2 16.025,3 4.153,4 17.245,5 153.73,6 7.28,7 0.478,8 4.423,9 4.554,10 3.99,11 3.933,12 5.432,13 3.921,14 5.012,15 5.196,16 4.386,17 4.361,18 6,19 4.328,20 5.287,21 5.521,22 4.383,23 4.484,24 6.2,25 4.411,26 5.249,27 5.499,28 4.337,29 4.453,30 6.199,31 4.37,32 5.192,33 5.416,34 4.332,35 4.437,36 6.186,37 4.36,38 5.192,39 5.425,40 4.314,41 4.416,42 6.144,43 4.348,44 5.14,45 5.353,46 4.285,47 4.407,48 6.101,49 4.327,50 5.204,51 5.454,52 4.129,53 4.389,54 6.121,55 4.259,56 0.048,57 1.193,58 15.966,59 6.36,60 10.177,61 8.839,62 0.393,63 1.967,64 31.626,65 10.881,66 34.431,67 15.593,68 0.571,69 2.35,70 44.913,71 13.874,72 52.48,73 20.618,74 0.5,75 2.29,76 43.147,77 13.787,78 56.631,79 20.742,80 0.379,81 2.155,82 39.857,83 13.665,84 57.88,85 19.913,86 0.49,87 2.174,88 40.397,89 12.448,90 54.489,91 18.513,92 0.528,93 2.106,94 37.197,95 12.314,96 43.174,97 18.185,98 0.501,99 2.068,100 41.301,101 14.734,102 60.469,103 21.464,104 6,105 66,106 0.235,107 0.556,108 0.7,109 0.781,110 0.805,111 0.809,112 3.717,113 0.933,114 -5.44,115 -5.32,116 -4.97,119 40.5,120 1,121 4,125 5,127 2,142 8,143 2,144 3,145 1,147 1,149 1,159 1,161 1,166 1,172 8,174 3,175 14,178 2,179 1,180 4,183 6,186 2,187 9,192 4,195 4,198 5,199 11,204 5,207 6,211 1,212 12,215 1,217 4,220 8,224 9,227 2,229 1,232 7,236 4,237 9,240 1,242 2,245 12,249 2,250 2,253 4,255 1,258 12,263 7,266 1,268 2,271 8,275 3388,276 27.814,277 27.814,278 27.814,279 27.814,280 27.814,281 25.202,282 38.756,283 16.196,284 28.464,285 22.722,286 22.722,287 22.722,288 22.722,289 22.722,290 18.598,291 53.26,292 7.696,293 23.808,294 4.678,295 2.58,296 1.642,297 1.112,298 0.956,299 0.929,300 4.443,306 1469,307 3.536,310 334.557,311 503.933,312 130.341,314 183.63,318 2.525,319 30.895,322 0.5,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.7,330 86,331 641,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.178,342 3.399,343 6.152,344 3.836,345 2.886,346 3.793,347 0.86,348 9.109,349 2.752,350 4.146,351 3.148,352 6.146,353 3.815,354 2.88,355 3.701,356 0.8,357 9.065,358 2.728,359 3.986,360 3.111,361 6.11,362 3.762,363 2.792,364 3.32,365 0.8,366 8.943,367 2.658,368 3.868,369 2.795,370 5.65,371 3.564,372 2.606,373 3.173,374 0.247,375 7.727,376 2.485,377 3.697,378 2.72,379 5.561,380 3.39,381 2.46,382 2.988,384 7.61,385 2.294,386 3.631,387 2.516,388 5.317,389 3.319,390 2.359,391 2.763,393 6.902,394 2.251,395 3.354,396 2.396,397 5.009,398 2.953,399 1.963,400 2.561,402 5.638,403 1.931,404 2.983,405 2.093,406 4.879,407 2.839,408 1.879,409 2.162,411 5.444,412 1.794,413 2.96,414 1.961,415 4.698,416 2.711,417 1.762,418 2.058,420 5.168,421 1.681,422 2.921,423 1.856,424 4.455,425 2.687,426 1.703,427 1.991,428 4.473,429 1.658,430 2.879,431 1.535,432 4.382,433 2.429,434 1.472,435 1.879,436 4.2,437 1.403,438 2.625,439 1.326,440 4.279,441 2.171,442 1.237,443 1.668,445 3.585,446 1.152,447 2.5,448 1.036,449 3.664,450 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 18.867,466 0.472,467 0.892,468 0.022,469 51.5,470 1.288,471 23.5,472 0.588,473 28,474 0.7,475 37.934,476 0.948,477 42.933,478 0.58,479 40.999,480 1.025,481 9.496,482 0.237,483 10.128,484 0.253,485 0.044,487 0.355,493 0.82,494 1.452,495 0.782,496 1.151,497 0.616,498 0.987,499 0.955,500 1.181,501 0.898,502 1.036,503 0.572,504 0.969,505 1.275,506 1.101,507 1.026,508 0.942,509 0.922,510 0.95,511 0.877,512 0.953,513 0.941,514 0.932,515 0.839,516 0.93,517 0.989,518 1.144,519 0.954,520 1.064,521 1.367,522 1.015,523 1.237,524 0.989,525 1.047,526 0.914,527 1.285,528 0.936,529 0.938,530 1.122,531 1.125,532 1.117,533 0.778,534 1.134,535 0.711,536 0.935,537 1.057,538 1.13,539 0.811,540 1.139,541 8,542 0.221,543 4,544 2.132,545 1.805,546 1.608,547 0.83,548 0.508,549 0.457,550 0.34,551 32337,552 69872,553 2.226,554 45.9,556 20,558 1,559 2,561 11,564 1.795,565 2.143,566 3.89,567 0.149,573 113.319,574 1.531,575 3.629,576 4.568,577 5.098,578 5.253,579 5.28,580 3.347,581 4.772,582 5.291,583 4.16,584 3244.47,585 9.313,586 58432.6,591 459.5,592 1.188,593 5.278,594 0.174,595 0.006,596 0.061,597 0.033,598 0.03,599 0.026,600 0.014,601 0.009,602 0.01,603 0.009,604 0.371,605 0.17,606 0.63,607 0.482,608 229.094,609 0.015,610 -0.217,611 0.087,612 -0.081,613 0.001,614 -0.003,615 0.105,616 -0.038,617 0.043,618 -0.036,619 0.143,620 -0.013,621 -0.13,622 -0.073,623 -0.033,624 0.024,625 -0.016,626 0.008,627 0.011,628 0.085,629 0.036,630 0.033,631 0.065,632 0.041,633 -0.013,634 -0.118,635 0.01,636 -0.057,637 -0.04,638 -0.027,639 -0.159,640 0.072,641 -0.063,642 0.044,643 -0.133,644 0.015,645 0.034,646 -0.029,647 -0.172,648 -0.132,649 -0.037,650 -0.172,651 0.109,652 0.045,653 -0.091,654 -0.12,655 0.069,656 -0.131,657 1.949,658 5.66,659 0.85,660 53.62,661 0.999,662 1.132,663 4.207,664 17.701,665 0.66,666 3.85,667 4.205,668 4.522,669 4.836,670 5.063,671 5.242,672 5.438,673 5.602,674 5.753,675 5.9,676 9.498,677 0.628,678 538.72,679 3.85,680 5.416,681 6.29,682 7.185,683 8.071,684 8.971,685 9.864,686 10.767,687 11.666,688 12.571,689 10.8,695 2,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 2,731 74,733 23,734 2,735 46,737 80,738 30,739 17,740 4,741 8,746 7,747 9,751 1,752 1,755 6,758 6,761 18,762 12,766 1,771 1,775 1,781 34,782 9,783 2,784 10,790 8,794 0.714,795 2,801 1,803 1,806 1,808 1,811 3,812 4,813 1,815 1,839 1,840 5,844 1,848 40,854 9,855 2,856 1,858 2,859 2,870 2.7,873 1,874 1,877 18.667,878 13.45,879 8.583,880 4.908,881 4.22,882 1.456,883 1.033,884 6.981,885 13.472,886 4.078,887 4.675,888 5.272,889 5.888,890 6.436,891 6.822,892 7.308,893 7.75,894 8.081,895 8.484,896 1,897 64,898 14.861,900 6.499,901 7.542,902 29.154,904 25.115,905 2.042,906 81.667,910 376.675,911 139.025,912 94.281,914 36.145,917 139.025,918 412.82,919 94.281,920 8.825,921 56.688,922 75.81,923 99.865,924 33.429,925 6.604,926 364.904,928 376.675,929 233.306,930 36.145,933 249.521,934 154.627,935 11,937 78.053,938 102.691,939 50.234,941 376.675,942 130.426,943 139.025,946 376.675,947 45.342,948 101.708,949 36.022,950 86.379,951 376.675,952 130.426,953 139.025,955 0.586,956 0.347,957 0.195,958 0.101,959 35,960 14,961 0.075,962 6,963 3,964 1.147,965 5.172,966 415.617,967 0.176,968 33,969 192.122,974 25.606,975 10.905,976 5.259,977 1.8,978 128.649,979 17.545,980 14.483,984 5.093,985 1.914,986 36.022,987 646.126,988 58,993 12.66,997 -0.282,999 73.956,1000 83.803,1001 0.247,1002 0.584,1003 0.736,1004 0.821,1005 0.846,1006 0.85,1007 5.345,1008 1.963,1009 6.275,1010 6.902,1011 4.89,1012 5.364,1013 2.219,1014 7.099,1015 4.797,1016 6.534,1017 1.879,1018 7.835,1019 5.638,1020 4.443,1021 5.147,1022 1.404,1023 7.978,1024 4.288,1025 7.838,1026 1.762,1027 9.489,1028 5.444,1029 6.5,1030 7.539,1031 2.581,1032 11.092,1033 6.304,1034 9.176,1035 1.703,1036 11.201,1037 5.168,1038 6.889,1039 8.192,1040 2.382,1041 12.813,1042 6.626,1043 10.548,1044 1.472,1045 12.949,1046 4.473,1047 8.378,1048 10.054,1049 3.295,1050 15.433,1051 8.077,1052 11.942,1053 1.237,1054 14.724,1055 4.2,1056 9.152,1057 11.13,1058 3.421,1059 17.522,1060 8.784,1061 13.356,1062 1,1063 16.518,1064 3.585,1065 10.418,1066 12.781,1067 4.17,1068 19.984,1069 10.009,1070 3.264,1071 1,1072 18.328,1073 2.275,1074 11.379,1075 14.076,1076 4.467,1077 22.244,1078 10.907,1079 2.886,1080 11.414,1081 20.151,1082 2.275,1083 12.556,1084 15.641,1085 5.115,1086 24.66,1087 12.039,1088 2.88,1089 9.109,1090 21.984,1091 4.627,1092 13.609,1093 17.049,1094 5.504,1095 27.002,1096 13.031,1097 2.792,1098 9.065,1099 23.827,1100 3.793,1101 14.756,1102 18.581,1103 6.092,1104 29.411,1105 14.131,1106 2.606,1107 8.943,1108 25.678,1109 3.701,1110 15.855,1111 20.048,1112 6.531,1113 31.794,1114 15.172,1115 2.46,1116 7.727,1117 27.536,1118 3.32,1119 16.997,1120 21.571,1121 7.084,1122 34.207,1123 16.262,1124 2.359,1125 7.61,1126 29.4,1127 3.173,1128 18.121,1129 23.067,1130 7.551,1131 36.613,1132 17.331,1133 28770,1134 42552,1135 32.016,1136 48.853,1137 69.585,1138 70.723,1139 70.237,1140 69.555,1141 69.532,1142 87.168,1143 8.726,1144 203.934,1145 66.412,1146 5.675,1147 5.562,1148 6.442,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 12.447,1156 1.513,1157 1.537,1158 1.527,1159 1.512,1160 1.512,1161 1.895,1162 0.19,1163 4.433,1164 1.444,1165 4.135,1166 4.185,1167 4.11,1168 3.981,1169 7.431,1170 4.004,1171 3.973,1172 4.02,1173 3.911,1174 3.865,1175 5.137,1176 3.87,1177 3.901,1178 3.942,1179 3.828,1180 3.798,1181 4.776,1182 3.802,1183 3.874,1184 3.917,1185 3.791,1186 3.715,1187 4.738,1188 3.726,1189 3.728,1190 3.786,1191 3.608,1192 3.591,1193 4.67,1194 3.584,1195 3.49,1196 3.564,1197 3.407,1198 3.283,1199 4.484,1200 3.29,1201 3.395,1202 3.445,1203 3.301,1204 3.147,1205 4.268,1206 3.186,1207 3.205,1208 3.299,1209 3.038,1210 2.982,1211 4.044,1212 2.986,1213 0.102,1214 0.077,1215 0.149,1216 0.092,1217 0.071,1218 4.675,1219 0.101,1220 3.562,1221 0.036,1222 6.845,1223 0.248,1224 4.211,1225 0.067,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.952,1232 1.922,1233 2.031,1234 2.086,1235 1.255,1236 2.066,1237 1.899,1238 1.868,1239 2.002,1240 2.018,1241 1.224,1242 2.013,1243 1.792,1244 1.754,1245 1.907,1246 1.94,1247 1.211,1248 1.936,1249 1.619,1250 1.557,1251 1.86,1252 1.875,1253 1.14,1254 1.864,1255 1.604,1256 1.543,1257 1.86,1258 1.76,1259 1.11,1260 1.798,1261 1.577,1262 1.507,1263 1.85,1264 1.751,1265 1.042,1266 1.793,1267 1.509,1268 1.444,1269 1.681,1270 1.726,1271 0.891,1272 1.713,1273 1.404,1274 1.333,1275 1.635,1276 1.656,1277 0.835,1278 1.649,1279 4.533,1281 5.878,1282 3.434,1283 7.407,1284 5.733,1285 9.02,1286 7.766,1287 10.682,1289 2.066,1295 9.26,1296 5.846,1297 6.063,1299 0.515,1300 4.704,1305 46.449,1306 113.319,1307 268.564,1308 338.016,1309 377.235,1310 388.745,1311 390.745,1312 57.646,1313 9.252,1314 100.44,1315 100.44,1316 39,1317 13.091,1318 4.585,1319 3.7,1320 52.72,1321 229,1322 240,1323 0.109,1324 276.932,1325 473.98,1326 667.475,1327 176486,1329 27.053,1330 0.676,1331 0.568,1332 27.053,1333 22.715,1334 19.624,1335 0.427,1336 0.311,1337 14.095,1338 18.823,1339 13.861,1340 11.376,1341 19.624,1342 14.302,1343 17.928,1344 0.272,1345 0.164,1346 17.928,1347 10.828,1348 15.765,1349 0.173,1350 0.089,1351 15.765,1352 8.116,1353 13.85,1354 0.111,1355 0.048,1356 13.85,1357 6.057,1358 10.85,1359 0.069,1360 0.025,1361 10.85,1362 3.899,1363 0.177,1364 122.948,1365 0.177,1366 36.548,1367 0.283,1368 224,1369 584.007,1370 247.934,1371 563.901,1372 798.88,1373 534,1374 269,1375 619.68,1376 294.547,1377 619.575,1378 919.94,1379 588,1380 5.843}
{0 CHEMBL585400,1 1.674,2 7.773,3 1.504,4 2.262,5 77.95,6 8.036,7 0.64,8 3.769,9 3.882,10 3.406,11 3.243,12 4.911,13 3.269,14 4.294,15 4.459,16 3.764,17 3.626,18 5.411,19 3.637,20 4.482,21 4.684,22 3.789,23 3.714,24 5.551,25 3.693,26 4.46,27 4.675,28 3.749,29 3.663,30 5.602,31 3.64,32 4.43,33 4.65,34 3.693,35 3.663,36 5.466,37 3.636,38 4.436,39 4.639,40 3.673,41 3.665,42 5.522,43 3.625,44 4.393,45 4.611,46 3.47,47 3.525,48 5.481,49 3.462,50 4.215,51 4.447,52 2.919,53 3.276,54 5.188,55 3.138,56 0.091,57 0.606,58 6.868,59 2.894,60 8.604,61 3.608,62 0.33,63 0.954,64 13.718,65 4.769,66 20.321,67 6.054,68 0.421,69 1.073,70 18.239,71 6.006,72 27.043,73 8.177,74 0.438,75 1.064,76 17.886,77 5.424,78 40.858,79 7.766,80 0.37,81 1.029,82 17.449,83 5.141,84 28.916,85 7.399,86 0.407,87 1.022,88 16.806,89 5.306,90 28.886,91 7.463,92 0.433,93 0.882,94 17.246,95 5.425,96 33.322,97 7.502,98 0.33,99 0.65,100 15.595,101 5.445,102 36.649,103 7.181,104 2,105 35,106 0.3,107 0.679,108 0.788,109 0.826,110 0.836,111 0.836,112 3.149,113 0.858,114 -3.62,115 -3.59,116 -3.42,119 40.5,125 4,142 4,143 1,144 1,147 1,149 2,152 1,160 1,172 4,174 3,175 2,178 1,180 2,183 4,186 1,187 2,190 3,192 2,195 2,198 3,199 6,202 2,204 1,211 1,212 4,217 1,224 4,227 3,229 1,236 2,237 3,241 1,242 2,250 1,255 1,263 2,266 1,275 560,276 15.345,277 15.345,278 15.345,279 15.345,280 15.345,281 13.499,282 12.611,283 9.185,284 15.875,285 12.381,286 12.381,287 12.381,288 12.381,289 12.381,290 9.615,291 16.024,292 4.373,293 13.247,294 3.536,295 1.415,296 0.811,297 0.595,298 0.541,299 0.541,300 3.85,303 1,304 1,305 1,306 380,307 1.871,310 43.549,311 164.888,314 76.753,318 1.087,319 22.079,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 171,332 4.613,333 3.314,334 6.745,335 4.149,336 3.207,337 4.535,338 0.86,339 11.056,340 3.023,341 4.253,342 3.017,343 6.403,344 3.852,345 2.886,346 3.903,347 0.8,348 9.766,349 2.783,350 3.738,351 2.708,352 5.77,353 3.424,354 2.507,355 3.057,357 7.827,358 2.294,359 3.438,360 2.233,361 5.072,362 2.958,363 2.019,364 2.822,366 5.801,367 1.893,368 3.015,369 2.126,370 4.675,371 2.689,372 1.786,373 2.103,375 4.787,376 1.609,377 2.863,378 1.555,379 4.02,380 2.392,381 1.414,382 2.022,384 3.291,385 1.377,386 2.723,387 1.522,388 3.691,389 2.207,390 1.283,391 1.824,393 2.988,394 1.187,395 2.5,396 1.256,397 3.578,398 2.085,399 1.19,400 1.5,402 2.791,403 1.053,404 2.373,405 1.246,406 3.446,407 1.952,408 1,409 1.359,411 2.338,412 0.946,413 2,414 1,415 3.322,416 1.937,417 1,418 1,420 2.136,421 0.934,422 1.936,423 0.611,424 3.247,425 1.445,426 0.54,427 0.741,428 1.463,429 0.488,430 1.15,431 0.102,432 2.708,433 0.754,434 -0.176,435 -0.221,436 -0.398,437 -0.161,438 0.903,439 -0.298,440 2.551,441 0.482,442 -0.434,443 -0.525,445 -1.148,446 -0.396,447 0.671,448 -0.36,449 2.182,450 0.225,451 -0.735,452 -0.953,454 -1.797,455 -0.696,456 0.5,457 -0.654,458 2,459 0.011,460 -0.937,461 -1,463 -2.347,464 -0.846,465 10.167,466 0.462,467 0.432,468 0.02,469 31,470 1.409,471 15,472 0.682,473 16,474 0.727,475 14.673,476 0.667,477 23.433,478 0.633,479 20.757,480 0.943,481 6.182,482 0.281,483 4.644,484 0.211,485 0.033,487 0.334,493 0.988,494 1.512,495 0.722,496 1.127,497 0.922,498 0.911,499 1.123,500 1.027,501 0.891,502 0.908,503 0.76,504 0.862,505 0.979,506 1.076,507 0.892,508 0.962,509 0.87,510 0.925,511 0.837,512 1.082,513 0.92,514 0.958,515 0.949,516 0.947,517 0.973,518 1.025,519 0.956,520 0.856,521 0.934,522 0.867,523 0.892,524 1.094,525 1.107,526 1.088,527 0.847,528 1.112,529 1.027,530 0.952,531 1.184,532 1.136,533 1.003,534 1.173,535 1.308,536 0.942,537 1.352,538 1.271,539 1.839,540 1.342,541 3,543 2.444,544 1.313,545 0.928,546 0.802,547 0.456,548 0.172,549 0.063,550 0.038,551 4770,552 13233,553 2.205,554 40.5,556 12,558 1,559 2,564 1.652,565 2.129,566 2.966,567 0.393,568 1,569 1,571 1,573 61.933,574 1.674,575 3.794,576 4.399,577 4.615,578 4.669,579 4.669,580 2.392,581 3.971,582 4.433,583 3.057,584 706.265,585 7.653,586 7530.36,587 1,588 1,590 1,591 192.75,592 1.143,593 4.418,594 0.12,596 0.07,597 0.038,598 0.028,599 0.025,600 0.015,601 0.007,602 0.005,603 0.008,604 0.316,605 0.67,606 1,607 0.405,608 98.461,609 -0.134,610 -0.329,611 0.05,612 -0.103,613 -0.108,614 -0.008,615 -0.095,616 0.09,617 -0.014,618 0.052,619 -0.016,620 0.031,621 -0.005,622 -0.058,623 0.049,624 0.007,625 0.027,626 0.024,627 0.063,628 -0.031,629 0.023,630 -0.03,631 0.092,632 -0.019,633 -0.128,634 0.029,635 -0.02,636 0.081,637 -0.105,638 0.071,639 -0.01,640 -0.026,641 -0.194,642 -0.146,643 -0.027,644 -0.188,645 -0.001,646 0.024,647 -0.209,648 -0.181,649 -0.017,650 -0.218,651 -0.209,652 -0.116,653 -0.324,654 -0.236,655 -0.337,656 -0.299,657 1.509,658 4.046,659 0.955,660 14.05,661 1.016,662 1.135,663 2.388,664 5.7,665 0.669,666 3.258,667 3.584,668 3.912,669 4.22,670 4.454,671 4.564,672 4.762,673 4.875,674 4.86,675 4.852,676 4.785,677 0.653,678 297.35,679 3.258,680 4.796,681 5.666,682 6.555,683 7.445,684 8.344,685 9.241,686 10.144,687 11.046,688 11.951,689 13.5,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,728 1,731 37,733 16,734 1,735 25,737 40,738 15,739 11,740 2,741 4,746 4,747 5,761 11,762 4,777 1,778 1,781 15,782 6,783 2,784 7,787 1,790 5,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,848 22,853 1,854 4,856 1,859 1,870 5.4,872 1,874 1,877 10.333,878 6.583,879 4.806,880 2.179,881 3.096,882 1.431,883 1.002,884 3.406,885 10.277,886 3.526,887 4.155,888 4.815,889 5.464,890 6.01,891 6.411,892 6.915,893 7.349,894 7.565,895 7.879,896 1,897 35,898 8.11,900 3.506,901 7.727,902 15.463,904 12.802,905 2.227,906 49,910 153.024,911 71.621,912 70.266,914 53.683,917 71.621,918 206.708,919 70.266,921 13.396,922 37.905,923 124.43,924 27.139,925 4.472,926 141.253,928 153.024,929 141.887,930 53.683,933 157.068,934 42.683,935 11,937 38.8,938 48.687,939 50.357,941 153.024,942 123.95,943 71.621,946 153.024,947 25.097,948 49.648,949 16.786,950 104.04,951 153.024,952 123.95,953 71.621,955 0.577,956 0.348,957 0.2,958 0.107,959 19,960 7,961 0.05,962 2,963 1,964 1.095,965 3.436,966 184.931,967 0.095,968 21,969 94.107,974 13.491,975 5.555,976 2.44,977 1.399,978 107.164,979 8.655,980 13.35,981 3.098,984 2.024,986 59.469,987 348.595,988 33,999 37.582,1000 41.986,1001 0.321,1002 0.728,1003 0.844,1004 0.886,1005 0.896,1006 0.896,1007 4.754,1008 1.19,1009 5.638,1010 2.988,1011 4.263,1012 4.84,1013 1.235,1014 6.472,1015 4.135,1016 5.953,1017 1,1018 7.203,1019 2.791,1020 3.761,1021 4.62,1022 0.325,1023 7.413,1024 3.588,1025 7.263,1026 1,1027 8.875,1028 2.338,1029 5.861,1030 7.099,1031 0.938,1032 10.568,1033 5.623,1034 8.615,1035 0.54,1036 10.613,1037 2.136,1038 6.256,1039 7.802,1040 0.268,1041 12.374,1042 5.974,1043 10.007,1044 -0.176,1045 12.394,1046 1.463,1047 7.775,1048 9.701,1049 0.732,1050 15.022,1051 7.436,1052 11.426,1053 -0.434,1054 14.204,1055 -0.398,1056 8.579,1057 10.827,1058 0.188,1059 17.161,1060 8.193,1061 12.866,1062 -0.735,1063 16.033,1064 -1.148,1065 9.866,1066 12.49,1067 0.57,1068 19.637,1069 9.426,1070 3.207,1071 -0.937,1072 17.876,1073 -1.797,1074 10.857,1075 13.814,1076 0.125,1077 21.914,1078 10.365,1079 2.886,1080 11.056,1081 19.73,1082 -2.347,1083 12.051,1084 15.379,1085 0.438,1086 24.329,1087 11.506,1088 2.507,1089 9.766,1090 21.591,1091 4.535,1092 13.126,1093 16.796,1094 0.082,1095 26.666,1096 12.526,1097 2.019,1098 7.827,1099 23.458,1100 3.903,1101 14.287,1102 18.321,1103 0.334,1104 29.061,1105 13.632,1106 1.786,1107 5.801,1108 25.33,1109 3.057,1110 15.401,1111 19.782,1112 0.054,1113 31.425,1114 14.689,1115 1.414,1116 4.787,1117 27.205,1118 2.822,1119 16.551,1120 21.292,1121 0.252,1122 33.814,1123 15.783,1124 1.283,1125 3.291,1126 29.084,1127 2.103,1128 17.684,1129 22.775,1130 0.035,1131 36.192,1132 16.857,1133 4483,1134 7579,1135 17.394,1136 24.745,1137 37.866,1138 37.846,1139 38.338,1140 37.675,1141 37.664,1142 49.73,1143 3.32,1144 108.484,1145 35.176,1146 5.613,1147 5.314,1148 6.547,1149 5.252,1150 5.207,1151 7.535,1152 1.72,1153 18.27,1154 5.023,1155 5.619,1156 1.515,1157 1.514,1158 1.534,1159 1.507,1160 1.507,1161 1.989,1162 0.133,1163 4.339,1164 1.407,1165 4.102,1166 4.154,1167 4.081,1168 3.939,1169 6.469,1170 3.966,1171 3.862,1172 3.891,1173 3.807,1174 3.763,1175 5.175,1176 3.773,1177 3.723,1178 3.783,1179 3.607,1180 3.492,1181 4.673,1182 3.511,1183 3.259,1184 3.329,1185 3.201,1186 3.046,1187 4.617,1188 3.075,1189 3.111,1190 3.206,1191 2.867,1192 2.941,1193 4.433,1194 2.91,1195 2.952,1196 2.998,1197 2.866,1198 2.746,1199 4.04,1200 2.754,1201 2.922,1202 2.97,1203 2.812,1204 2.707,1205 3.622,1206 2.729,1207 2.694,1208 2.766,1209 2.567,1210 2.444,1211 3.558,1212 2.475,1213 0.185,1214 0.133,1215 0.27,1216 0.166,1217 0.128,1218 4.613,1219 0.181,1220 3.314,1221 0.034,1222 6.745,1223 0.442,1224 4.149,1225 0.121,1226 3.207,1227 4.535,1228 0.86,1229 11.056,1230 3.023,1231 1.933,1232 1.906,1233 2.014,1234 2.079,1235 1.216,1236 2.056,1237 1.777,1238 1.734,1239 1.93,1240 1.947,1241 1.076,1242 1.947,1243 1.576,1244 1.525,1245 1.708,1246 1.795,1247 0.825,1248 1.778,1249 1.33,1250 1.245,1251 1.513,1252 1.637,1253 0.815,1254 1.599,1255 1.153,1256 1.064,1257 1.48,1258 1.376,1259 0.373,1260 1.429,1261 0.949,1262 0.91,1263 1.152,1264 1.156,1265 0.239,1266 1.135,1267 0.883,1268 0.838,1269 1.093,1270 1.106,1271 0.199,1272 1.104,1273 0.736,1274 0.656,1275 1.057,1276 1.091,1277 0.127,1278 1.086,1279 3.932,1281 5.252,1282 2.398,1283 6.786,1284 4.595,1285 8.416,1286 6.605,1287 10.097,1294 10.046,1295 2.883,1297 5.398,1300 2.148,1305 24.171,1306 61.933,1307 140.385,1308 162.75,1309 170.75,1310 172.75,1311 172.75,1312 27.159,1313 7.182,1314 87.16,1315 87.16,1316 23,1317 12.47,1318 4.087,1319 3.17,1320 29.627,1321 64,1322 58,1323 0.236,1324 146.554,1325 240.02,1326 349.352,1327 11480,1329 14.941,1330 0.679,1331 0.539,1332 14.941,1333 11.859,1334 10.826,1335 0.433,1336 0.286,1337 7.002,1338 10.268,1339 6.924,1340 5.662,1341 10.826,1342 7.149,1343 9.574,1344 0.274,1345 0.145,1346 9.574,1347 5.089,1348 8.487,1349 0.173,1350 0.076,1351 8.487,1352 3.722,1353 7.43,1354 0.111,1355 0.039,1356 7.43,1357 2.605,1358 5.962,1359 0.07,1360 0.02,1361 5.962,1362 1.72,1363 0.353,1364 68.836,1365 0.24,1366 21.11,1367 0.705,1368 120,1369 370.799,1370 135.168,1371 353.672,1372 491.96,1373 334,1374 144,1375 369.554,1376 160.53,1377 370.481,1378 550.67,1379 350,1380 6.176}
{0 CHEMBL585480,1 1.578,2 15.842,3 3.246,4 10.538,5 143.332,6 7.444,7 0.512,8 4.353,9 4.477,10 3.926,11 3.856,12 5.422,13 3.85,14 4.916,15 5.089,16 4.309,17 4.27,18 5.966,19 4.243,20 5.186,21 5.406,22 4.332,23 4.397,24 6.163,25 4.337,26 5.174,27 5.417,28 4.284,29 4.366,30 6.179,31 4.292,32 5.115,33 5.338,34 4.285,35 4.326,36 6.175,37 4.27,38 5.088,39 5.304,40 4.278,41 4.329,42 6.112,43 4.283,44 5.08,45 5.284,46 4.249,47 4.365,48 6.074,49 4.289,50 5.168,51 5.415,52 4.072,53 4.343,54 6.118,55 4.212,56 0.087,57 1.086,58 14.43,59 5.958,60 12.449,61 7.955,62 0.418,63 1.761,64 28.057,65 10.117,66 37.461,67 13.943,68 0.601,69 2.123,70 39.972,71 12.608,72 56.316,73 18.207,74 0.517,75 2.119,76 39.543,77 12.562,78 56.402,79 18.697,80 0.456,81 1.958,82 37.08,83 12.021,84 64.059,85 17.404,86 0.561,87 1.985,88 35.645,89 10.676,90 55.963,91 15.458,92 0.509,93 1.988,94 34.068,95 11.733,96 41.349,97 16.975,98 0.58,99 1.966,100 39.889,101 14.304,102 70.329,103 20.518,104 15,105 61,106 0.246,107 0.612,108 0.765,109 0.814,110 0.827,111 0.832,112 3.668,113 0.915,114 -5.05,115 -4.95,116 -4.64,119 40.6,120 1,121 3,125 4,127 2,142 8,143 3,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 10,174 3,175 10,178 2,179 1,180 5,183 10,186 2,187 7,192 5,195 6,198 5,199 11,204 8,207 2,211 1,212 12,217 7,220 4,224 10,227 2,229 2,232 7,236 3,237 10,241 1,242 1,245 12,249 2,250 2,253 4,255 1,258 14,263 3,266 2,267 1,271 12,275 2992,276 26.323,277 26.323,278 26.323,279 26.323,280 26.323,281 23.686,282 32.309,283 15.447,284 26.9,285 21.2,286 21.2,287 21.2,288 21.2,289 21.2,290 17.045,291 41.409,292 7.266,293 22.159,294 4.53,295 2.174,296 1.192,297 0.881,298 0.794,299 0.765,300 4.385,305 1,306 1353,307 3.742,310 188.665,311 477.779,312 121.999,314 171.763,318 2.499,319 35.131,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 82.5,331 602,332 4.675,333 3.562,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.173,342 3.399,343 6.152,344 3.817,345 2.882,346 3.792,347 0.86,348 9.109,349 2.741,350 4.064,351 3.148,352 6.11,353 3.769,354 2.799,355 3.649,356 0.8,357 8.944,358 2.661,359 3.985,360 2.804,361 5.65,362 3.679,363 2.7,364 3.318,365 0.247,366 7.738,367 2.644,368 3.824,369 2.779,370 5.599,371 3.476,372 2.508,373 3.163,375 7.705,376 2.423,377 3.654,378 2.72,379 5.415,380 3.378,381 2.444,382 2.875,384 7.181,385 2.273,386 3.56,387 2.431,388 5.177,389 3.21,390 2.236,391 2.762,393 6.511,394 2.171,395 3.275,396 2.338,397 5.009,398 2.849,399 1.879,400 2.494,402 5.638,403 1.833,404 2.977,405 2.093,406 4.879,407 2.839,408 1.854,409 2.151,411 5.443,412 1.794,413 2.947,414 1.961,415 4.644,416 2.705,417 1.756,418 2.057,420 5.006,421 1.66,422 2.879,423 1.535,424 4.409,425 2.431,426 1.476,427 1.879,428 4.238,429 1.404,430 2.625,431 1.519,432 4.28,433 2.171,434 1.238,435 1.668,436 3.585,437 1.152,438 2.5,439 1.326,440 3.664,441 2.036,442 1.101,443 1.5,445 2.275,446 1.019,447 2.5,448 1,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.222,457 1,458 3.414,459 2,460 1,461 1.172,463 2.223,464 1,465 17.8,466 0.468,467 0.841,468 0.022,469 49,470 1.289,471 23,472 0.605,473 26,474 0.684,475 34.801,476 0.916,477 41,478 0.594,479 39.734,480 1.046,481 9.331,482 0.246,483 9.258,484 0.244,485 0.066,487 0.354,493 0.856,494 1.379,495 0.783,496 1.113,497 0.742,498 0.962,499 0.911,500 1.157,501 0.887,502 1.039,503 0.677,504 0.974,505 1.185,506 1.131,507 1.011,508 0.949,509 0.891,510 0.952,511 0.811,512 1.013,513 0.95,514 0.984,515 0.711,516 0.972,517 1.059,518 1.156,519 0.919,520 0.995,521 1.25,522 0.941,523 1.28,524 0.976,525 1.097,526 0.875,527 1.206,528 0.923,529 0.814,530 1.168,531 1.126,532 1.161,533 0.613,534 1.177,535 0.702,536 0.911,537 1.078,538 1.124,539 0.803,540 1.158,541 8,542 0.208,543 3.556,544 2.104,545 1.835,546 1.524,547 0.846,548 0.467,549 0.464,550 0.291,551 26161,552 64302,553 2.175,554 44.9,556 18,558 1,559 3,561 9,564 1.784,565 2.073,566 3.849,567 0.791,573 108.896,574 1.578,575 3.935,576 4.916,577 5.228,578 5.315,579 5.344,580 3.359,581 4.722,582 5.214,583 4.093,584 2877.13,585 9.17,586 49261.2,591 421.488,592 1.275,593 5.196,594 0.186,595 0.007,596 0.058,597 0.034,598 0.032,599 0.026,600 0.015,601 0.008,602 0.011,603 0.008,604 0.385,605 0.17,606 0.75,607 0.789,608 213.617,609 -0.035,610 -0.153,611 0.061,612 -0.041,613 -0.063,614 0.013,615 0.072,616 -0.02,617 0.03,618 -0.027,619 0.054,620 -0.016,621 -0.131,622 -0.095,623 -0.034,624 0.025,625 -0.058,626 0.008,627 0.006,628 0.04,629 0.015,630 -0.026,631 0.058,632 -0.004,633 -0.063,634 -0.132,635 0.053,636 -0.01,637 -0.047,638 0.033,639 -0.223,640 0.129,641 -0.129,642 0.068,643 -0.171,644 0.005,645 0.007,646 -0.062,647 -0.204,648 -0.165,649 -0.032,650 -0.208,651 0.071,652 0.064,653 -0.117,654 -0.112,655 0.01,656 -0.142,657 1.999,658 5.5,659 0.763,660 50.091,661 1.004,662 1.132,663 3.819,664 14.585,665 0.66,666 3.784,667 4.127,668 4.431,669 4.745,670 4.997,671 5.165,672 5.366,673 5.525,674 5.68,675 5.838,676 9.003,677 0.632,678 513.66,679 3.784,680 5.342,681 6.209,682 7.101,683 7.984,684 8.883,685 9.775,686 10.678,687 11.577,688 12.484,689 10.1,695 1,696 2,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,731 69,733 23,734 2,735 43,737 74,738 28,739 17,740 4,741 8,746 6,747 8,751 1,752 2,755 4,758 5,761 18,762 10,766 1,771 1,775 1,781 31,782 9,783 3,784 10,790 7,794 0.667,795 3,796 1,801 1,803 1,806 1,811 2,812 4,813 1,815 1,838 1,839 1,840 4,844 1,848 38,853 1,854 7,855 2,856 1,858 2,859 1,870 4.3,871 1,873 1,874 1,877 18.333,878 12.45,879 8.306,880 4.383,881 4.11,882 1.461,883 0.999,884 7.088,885 13.032,886 4.025,887 4.627,888 5.225,889 5.847,890 6.404,891 6.779,892 7.266,893 7.711,894 8.048,895 8.461,896 1,897 61,898 14.086,900 6.11,901 7.675,902 27.222,904 23.045,905 2.175,906 82.667,910 329.591,911 132.708,912 91.156,914 78.828,917 132.708,918 408.419,919 91.156,920 8.825,921 49.942,922 118.493,923 99.865,924 30.734,925 6.604,926 317.82,928 329.591,929 223.864,930 78.828,933 225.979,934 131.085,935 53.683,937 71.307,938 99.996,939 50.234,941 329.591,942 169.985,943 132.708,946 329.591,947 39.025,948 98.583,949 36.022,950 129.062,951 329.591,952 169.985,953 132.708,955 0.58,956 0.341,957 0.192,958 0.104,959 31,960 13,961 0.095,962 7,963 3,964 1.172,965 4.929,966 382.319,967 0.207,968 28,969 185.421,974 24.956,975 10.793,976 5.318,977 1.772,978 168.208,979 16.799,980 14.408,984 4.739,985 1.898,986 78.705,987 632.283,988 55,993 12.5,997 -0.332,999 69.298,1000 78.099,1001 0.258,1002 0.644,1003 0.805,1004 0.856,1005 0.87,1006 0.875,1007 5.281,1008 1.879,1009 6.192,1010 6.511,1011 4.812,1012 5.316,1013 2.109,1014 7.011,1015 4.724,1016 6.476,1017 1.854,1018 7.749,1019 5.638,1020 4.369,1021 5.112,1022 1.305,1023 7.881,1024 4.235,1025 7.781,1026 1.756,1027 9.399,1028 5.443,1029 6.415,1030 7.508,1031 2.545,1032 10.992,1033 6.236,1034 9.12,1035 1.476,1036 11.106,1037 5.006,1038 6.792,1039 8.16,1040 2.354,1041 12.702,1042 6.557,1043 10.492,1044 1.238,1045 12.849,1046 4.238,1047 8.285,1048 10.031,1049 3.285,1050 15.33,1051 8.009,1052 11.887,1053 1.101,1054 14.619,1055 3.585,1056 9.049,1057 11.105,1058 3.414,1059 17.422,1060 8.713,1061 13.301,1062 1,1063 16.409,1064 2.275,1065 10.319,1066 12.762,1067 4.168,1068 19.893,1069 9.941,1070 3.264,1071 1,1072 18.216,1073 2.275,1074 11.275,1075 14.058,1076 4.466,1077 22.163,1078 10.836,1079 2.882,1080 11.414,1081 20.036,1082 2.223,1083 12.457,1084 15.626,1085 5.115,1086 24.59,1087 11.971,1088 2.799,1089 9.109,1090 21.869,1091 4.627,1092 13.51,1093 17.036,1094 5.504,1095 26.942,1096 12.964,1097 2.7,1098 8.944,1099 23.713,1100 3.792,1101 14.661,1102 18.57,1103 6.092,1104 29.36,1105 14.066,1106 2.508,1107 7.738,1108 25.565,1109 3.649,1110 15.763,1111 20.038,1112 6.531,1113 31.753,1114 15.109,1115 2.444,1116 7.705,1117 27.426,1118 3.318,1119 16.91,1120 21.562,1121 7.084,1122 34.173,1123 16.202,1124 2.236,1125 7.181,1126 29.294,1127 3.163,1128 18.039,1129 23.06,1130 7.551,1131 36.585,1132 17.273,1133 23993,1134 37768,1135 29.531,1136 45.54,1137 64.707,1138 65.893,1139 66.029,1140 64.41,1141 64.4,1142 82.033,1143 7.126,1144 187.588,1145 61.6,1146 5.675,1147 5.562,1148 6.615,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 15.226,1156 1.505,1157 1.532,1158 1.536,1159 1.498,1160 1.498,1161 1.908,1162 0.166,1163 4.363,1164 1.433,1165 4.133,1166 4.183,1167 4.109,1168 3.979,1169 7.431,1170 4.003,1171 3.949,1172 3.984,1173 3.889,1174 3.866,1175 6.456,1176 3.866,1177 3.9,1178 3.941,1179 3.821,1180 3.798,1181 5.137,1182 3.801,1183 3.869,1184 3.907,1185 3.79,1186 3.716,1187 4.766,1188 3.726,1189 3.521,1190 3.581,1191 3.445,1192 3.298,1193 4.728,1194 3.316,1195 3.464,1196 3.533,1197 3.339,1198 3.272,1199 4.67,1200 3.27,1201 3.337,1202 3.386,1203 3.212,1204 3.103,1205 4.484,1206 3.129,1207 3.205,1208 3.299,1209 3.027,1210 2.981,1211 4.051,1212 2.984,1213 0.109,1214 0.083,1215 0.159,1216 0.098,1217 0.076,1218 4.675,1219 0.108,1220 3.562,1221 0.039,1222 6.845,1223 0.265,1224 4.211,1225 0.072,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.953,1232 1.923,1233 2.047,1234 2.086,1235 1.255,1236 2.067,1237 1.921,1238 1.892,1239 2.024,1240 2.024,1241 1.224,1242 2.028,1243 1.792,1244 1.755,1245 1.908,1246 1.941,1247 1.213,1248 1.938,1249 1.62,1250 1.557,1251 1.86,1252 1.875,1253 1.111,1254 1.864,1255 1.604,1256 1.543,1257 1.85,1258 1.76,1259 1.043,1260 1.798,1261 1.51,1262 1.444,1263 1.688,1264 1.728,1265 0.854,1266 1.716,1267 1.437,1268 1.382,1269 1.674,1270 1.674,1271 0.834,1272 1.673,1273 1.231,1274 1.185,1275 1.375,1276 1.513,1277 0.496,1278 1.481,1279 4.466,1281 5.802,1282 3.045,1283 7.327,1284 5.416,1285 8.939,1286 7.506,1287 10.601,1289 2.053,1294 9.047,1295 5.227,1296 5.694,1297 6.045,1299 0.497,1300 2.317,1305 43.616,1306 108.896,1307 271.493,1308 339.224,1309 360.733,1310 366.733,1311 368.733,1312 61.143,1313 8.922,1314 117.43,1315 117.43,1316 34,1317 13.003,1318 4.585,1319 3.7,1320 53.382,1321 204,1322 262,1323 0.124,1324 262.343,1325 449.53,1326 631.877,1327 113193,1329 26.062,1330 0.686,1331 0.561,1332 26.062,1333 21.3,1334 18.589,1335 0.432,1336 0.305,1337 12.916,1338 17.801,1339 12.695,1340 10.426,1341 18.589,1342 13.115,1343 16.778,1344 0.275,1345 0.16,1346 16.778,1347 9.758,1348 14.471,1349 0.174,1350 0.086,1351 14.471,1352 7.132,1353 12.69,1354 0.111,1355 0.046,1356 12.69,1357 5.21,1358 10.262,1359 0.07,1360 0.024,1361 10.262,1362 3.555,1363 0.201,1364 116.873,1365 0.184,1366 34.92,1367 0.327,1368 208,1369 580.512,1370 230.959,1371 557.156,1372 777.26,1373 526,1374 248,1375 588.378,1376 271.713,1377 588.965,1378 871.64,1379 558,1380 7.167}
{0 CHEMBL585699,1 1.712,2 11.5,3 2.362,4 5.58,5 122.39,6 7.552,7 0.343,8 4.211,9 4.328,10 3.784,11 3.56,12 5.327,13 3.6,14 4.771,15 4.958,16 4.1,17 3.912,18 5.836,19 3.937,20 4.918,21 5.112,22 4.181,23 4.065,24 6.011,25 4.055,26 4.963,27 5.188,28 4.127,29 4.057,30 6.02,31 4.024,32 4.976,33 5.212,34 4.105,35 4.016,36 6.056,37 3.991,38 4.888,39 5.102,40 4.045,41 3.977,42 5.921,43 3.955,44 4.965,45 5.226,46 3.986,47 3.982,48 5.944,49 3.936,50 4.946,51 5.199,52 3.923,53 4.023,54 5.858,55 3.93,56 0.193,57 0.872,58 12.681,59 4.457,60 12.031,61 6.337,62 0.834,63 1.274,64 26.602,65 7.124,66 42.111,67 10.016,68 0.938,69 1.49,70 30.454,71 8.115,72 54.009,73 12.625,74 0.809,75 1.522,76 32.147,77 8.348,78 52.588,79 13.522,80 1.082,81 1.475,82 34.081,83 7.425,84 75.316,85 12.718,86 0.778,87 1.453,88 29.389,89 6.249,90 46.771,91 11.338,92 1.08,93 1.446,94 34.036,95 6.346,96 62.388,97 12.131,98 0.836,99 1.364,100 33.095,101 9.543,102 55.888,103 15.098,104 14,105 47,106 0.28,107 0.566,108 0.685,109 0.692,110 0.692,111 0.692,112 3.502,113 0.886,114 -2.63,115 -2.65,116 -2.58,119 33.9,124 2,125 8,142 2,143 1,144 3,150 3,155 1,168 1,172 2,174 7,175 3,178 2,183 1,186 4,187 4,190 2,192 3,198 4,199 2,202 3,204 3,211 9,212 2,224 4,227 3,236 4,237 3,240 2,241 1,249 6,250 6,266 2,275 1900,276 22.17,277 22.17,278 22.17,279 22.17,280 22.17,281 20.564,282 33.998,283 13.324,284 23.325,285 17.192,286 17.192,287 17.192,288 17.192,289 17.192,290 14.548,291 48.245,292 6.2,293 18.861,294 4.171,295 2.426,296 1.699,297 1.653,298 1.653,299 1.653,300 4.201,304 1,305 1,306 791,307 3.082,311 445.233,318 1.625,319 35.683,322 0.75,323 0.83,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.88,330 72.5,331 368,332 4.403,333 3.312,334 6.428,335 3.982,336 3.032,337 4.097,338 0.86,339 9.833,340 2.879,341 4.312,342 3.238,343 6.309,344 3.922,345 3.018,346 3.913,347 0.86,348 9.689,349 2.725,350 3.795,351 3.013,352 6.016,353 3.591,354 2.684,355 2.997,356 0.86,357 8.629,358 2.432,359 3.666,360 2.616,361 5.316,362 3.296,363 2.368,364 2.972,365 0.86,366 6.839,367 2.216,368 3.518,369 2.555,370 5.25,371 3.178,372 2.224,373 2.754,374 0.8,375 6.603,376 2.094,377 3.355,378 2.424,379 5.19,380 2.972,381 2.061,382 2.604,383 0.8,384 6.118,385 1.867,386 2.989,387 2.25,388 4.502,389 2.722,390 1.822,391 2.038,393 4.632,394 1.635,395 2.838,396 2.235,397 4.283,398 2.577,399 1.697,400 1.879,402 4.065,403 1.488,404 2.688,405 1.681,406 3.609,407 2.117,408 1.216,409 1.612,411 2.758,412 1.093,413 2.238,414 1.616,415 3.511,416 1.961,417 1.067,418 1.221,420 2.509,421 0.947,422 2.166,423 1.412,424 3.472,425 1.952,426 1,427 1.132,428 2.501,429 0.946,430 2,431 1.288,432 3.317,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.256,440 3.247,441 1.869,442 1,443 1,445 2.136,446 0.866,447 1.953,448 1.256,449 3.247,450 1.707,451 0.871,452 0.919,454 1.681,455 0.723,456 1.576,457 0.916,458 2.859,459 1.27,460 0.396,461 0.452,463 0.603,464 0.342,465 14.467,466 0.452,467 0.585,468 0.018,469 39.75,470 1.242,471 16.5,472 0.516,473 23.25,474 0.727,475 27.466,476 0.858,477 37.133,478 0.629,479 32.278,480 1.009,481 8.262,482 0.258,483 7.412,484 0.232,485 0.092,487 0.297,493 0.958,494 1.791,495 0.769,496 1.464,497 0.888,498 1.121,499 1.333,500 0.807,501 0.952,502 0.791,503 0.938,504 0.786,505 0.973,506 1.241,507 0.952,508 1.046,509 0.816,510 0.999,511 0.814,512 1.208,513 0.964,514 1.14,515 1.029,516 1.081,517 0.987,518 0.991,519 1.006,520 0.837,521 1.288,522 0.898,523 1.048,524 1.484,525 1.17,526 1.172,527 0.897,528 1.17,529 0.912,530 0.838,531 1.132,532 0.74,533 0.851,534 0.901,535 0.601,536 0.965,537 0.897,538 1.052,539 0.591,540 1.045,541 5.5,542 0.231,543 2.889,544 1.938,545 1.48,546 1.25,547 0.325,548 0.25,549 0.278,550 0.194,551 14431,552 41928,553 2.101,554 45.8,556 24,558 1,559 2,564 1.747,565 2,566 3.516,567 0.332,569 1,573 100.994,574 1.712,575 3.457,576 4.183,577 4.23,578 4.23,579 4.23,580 2.816,581 3.914,582 4.975,583 3.712,584 1841.19,585 8.714,586 27798.9,588 1,591 347.076,592 1.259,593 4.947,594 0.157,595 0.007,596 0.061,597 0.039,598 0.032,599 0.028,600 0.008,601 0.006,602 0.008,603 0.005,604 0.351,605 0.33,606 0.88,607 0.726,608 168.872,609 -0.081,610 -0.45,611 0.076,612 -0.269,613 -0.045,614 -0.087,615 -0.154,616 0.304,617 0.026,618 0.193,619 -0.033,620 0.148,621 0.017,622 -0.128,623 -0.007,624 -0.019,625 0.119,626 -0.022,627 0.012,628 -0.108,629 -0.025,630 -0.154,631 -0.041,632 -0.106,633 -0.019,634 0.061,635 -0.023,636 0.075,637 -0.103,638 0.029,639 -0.17,640 -0.33,641 -0.231,642 -0.226,643 -0.124,644 -0.239,645 -0.068,646 0.239,647 -0.153,648 0.108,649 -0.094,650 -0.002,651 0.14,652 0.028,653 0.05,654 -0.026,655 0.123,656 -0.012,657 1.733,658 4.061,659 0.75,660 32.078,661 1.02,662 1.147,663 1.405,664 1.974,665 0.626,666 3.584,667 3.871,668 4.143,669 4.382,670 4.615,671 4.625,672 4.745,673 4.804,674 4.905,675 4.99,676 7.362,677 0.61,678 445.54,679 3.584,680 5.106,681 5.948,682 6.81,683 7.668,684 8.536,685 9.4,686 10.271,687 11.138,688 12.01,689 11.9,694 1,695 2,698 1,699 3,702 1,704 2,705 3,709 7,711 12,726 2,728 1,729 2,731 59,733 13,734 1,735 35,737 62,738 20,739 9,740 4,741 2,742 1,746 4,747 4,749 1,761 10,762 10,766 1,773 1,774 1,778 1,781 27,782 12,783 2,784 12,790 7,794 1,795 5,812 4,839 2,840 4,844 2,848 32,853 1,854 8,855 1,856 4,859 2,870 8.5,872 1,874 2,875 2,877 16,878 11.067,879 7.278,880 3.321,881 2.799,882 1.366,883 0.931,884 7.806,885 10.446,886 3.761,887 4.277,888 4.812,889 5.338,890 5.849,891 6.067,892 6.339,893 6.549,894 6.843,895 7.237,896 1,897 50,898 11.798,900 4.876,901 7.755,902 22.392,904 17.603,905 2.255,906 72.167,909 1,910 294.278,911 95.928,912 91.156,914 86.683,917 95.928,918 380.96,919 91.156,920 21.766,921 26.792,922 18.952,923 153.746,924 58.584,925 5.697,926 282.506,928 294.278,929 187.085,930 86.683,933 294.278,934 64.683,935 22,937 49.153,938 60.64,939 77.292,941 294.278,942 177.839,943 95.928,946 294.278,947 46.162,948 56.015,949 17.888,950 153.702,951 294.278,952 177.839,953 95.928,955 0.566,956 0.34,957 0.188,958 0.104,959 21,960 9,961 0.113,962 7,964 1,965 4.339,966 286.828,968 24,969 128,974 22.792,975 10.96,976 5.709,978 177.839,979 3.295,980 13.749,984 2.663,986 60.572,987 568.045,988 42,995 1.567,996 4.258,999 60.185,1000 67.687,1001 0.291,1002 0.588,1003 0.711,1004 0.719,1005 0.719,1006 0.719,1007 4.997,1008 1.697,1009 5.905,1010 4.632,1011 4.554,1012 4.963,1013 2.179,1014 6.683,1015 4.381,1016 6.154,1017 1.216,1018 7.44,1019 4.065,1020 4.007,1021 4.677,1022 0.57,1023 7.503,1024 3.767,1025 7.436,1026 1.067,1027 9.076,1028 2.758,1029 6.111,1030 7.057,1031 1.84,1032 10.599,1033 5.786,1034 8.753,1035 1,1036 10.771,1037 2.509,1038 6.415,1039 7.618,1040 0.479,1041 12.238,1042 6.017,1043 10.107,1044 1,1045 12.506,1046 2.501,1047 7.942,1048 9.466,1049 1.564,1050 14.827,1051 7.471,1052 11.483,1053 1,1054 14.266,1055 2.136,1056 8.65,1057 10.424,1058 0.346,1059 16.808,1060 8.104,1061 12.877,1062 0.871,1063 16.044,1064 2.136,1065 9.93,1066 12.045,1067 1.317,1068 19.209,1069 9.316,1070 3.032,1071 0.396,1072 17.835,1073 1.681,1074 10.84,1075 13.207,1076 0.237,1077 21.345,1078 10.149,1079 3.018,1080 9.833,1081 19.636,1082 0.603,1083 12.012,1084 14.719,1085 1.094,1086 23.669,1087 11.256,1088 2.684,1089 9.689,1090 21.445,1091 4.097,1092 13.02,1093 15.988,1094 0.158,1095 25.877,1096 12.19,1097 2.368,1098 8.629,1099 23.261,1100 3.913,1101 14.147,1102 17.445,1103 0.895,1104 28.17,1105 13.252,1106 2.224,1107 6.839,1108 25.081,1109 2.997,1110 15.202,1111 18.773,1112 0.104,1113 30.411,1114 14.237,1115 2.061,1116 6.603,1117 26.905,1118 2.972,1119 16.311,1120 20.202,1121 0.721,1122 32.692,1123 15.282,1124 1.822,1125 6.118,1126 28.733,1127 2.754,1128 17.389,1129 21.561,1130 0.068,1131 34.949,1132 16.293,1133 13777,1134 23639,1135 23.75,1136 36.926,1137 51.297,1138 52.711,1139 52.711,1140 51.162,1141 51.16,1142 61.467,1143 10.08,1144 141.967,1145 46.622,1146 5.403,1147 5.312,1148 6.23,1149 5.086,1150 5.032,1151 7.097,1152 1.72,1153 16.754,1154 4.879,1155 13.467,1156 1.466,1157 1.506,1158 1.506,1159 1.462,1160 1.462,1161 1.756,1162 0.288,1163 4.056,1164 1.332,1165 3.971,1166 4.02,1167 3.933,1168 3.852,1169 6.469,1170 3.864,1171 3.9,1172 3.929,1173 3.862,1174 3.677,1175 5.097,1176 3.718,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.859,1182 3.533,1183 3.602,1184 3.665,1185 3.51,1186 3.341,1187 4.65,1188 3.377,1189 3.348,1190 3.408,1191 3.277,1192 3.101,1193 4.616,1194 3.135,1195 3.303,1196 3.355,1197 3.144,1198 3.006,1199 4.58,1200 3.026,1201 3.119,1202 3.211,1203 2.926,1204 2.941,1205 4.57,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.125,1212 2.91,1213 0.126,1214 0.095,1215 0.184,1216 0.114,1217 0.087,1218 4.403,1219 0.117,1220 3.312,1221 0.025,1222 6.428,1223 0.281,1224 3.982,1225 0.082,1226 3.032,1227 4.097,1228 0.86,1229 9.833,1230 2.879,1231 1.884,1232 1.873,1233 1.959,1234 2.058,1235 1.206,1236 2.022,1237 1.788,1238 1.726,1239 1.942,1240 1.997,1241 1.187,1242 1.981,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.071,1248 1.926,1249 1.486,1250 1.424,1251 1.599,1252 1.774,1253 0.825,1254 1.735,1255 1.247,1256 1.192,1257 1.59,1258 1.558,1259 0.825,1260 1.565,1261 1.227,1262 1.163,1263 1.545,1264 1.538,1265 0.584,1266 1.53,1267 1.153,1268 1.064,1269 1.513,1270 1.38,1271 0.57,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.512,1278 1.429,1279 4.263,1281 5.557,1283 7.059,1285 8.652,1287 10.293,1289 2.942,1294 10.061,1295 5.359,1296 2.889,1297 21.246,1300 4.138,1305 35.992,1306 100.994,1307 203.949,1308 246.811,1309 249.566,1310 249.566,1311 249.566,1312 51.874,1313 7.648,1314 126.69,1315 126.69,1316 24,1317 12.552,1318 3.807,1319 3,1320 51.735,1321 140,1322 122,1323 0.174,1324 220.093,1325 385.79,1326 528.787,1327 21969,1329 22.338,1330 0.698,1331 0.567,1332 22.338,1333 18.152,1334 15.673,1335 0.448,1336 0.295,1337 10.021,1338 14.503,1339 9.838,1340 8.089,1341 15.673,1342 10.332,1343 13.354,1344 0.284,1345 0.151,1346 13.354,1347 7.102,1348 11.543,1349 0.186,1350 0.082,1351 11.543,1352 5.08,1353 9.525,1354 0.121,1355 0.043,1356 9.525,1357 3.366,1358 7.779,1359 0.078,1360 0.022,1361 7.779,1362 2.223,1363 0.275,1364 102.177,1365 0.205,1366 29.985,1367 0.471,1368 164,1369 587.295,1370 192.216,1371 536.954,1372 727.95,1373 508,1374 191,1375 525.578,1376 220.855,1377 522.953,1378 766.35,1379 487,1380 5}
{0 CHEMBL586051,1 1.468,2 13.297,3 4.249,4 18.051,5 144.727,6 7.26,7 0.605,8 4.341,9 4.469,10 3.915,11 3.878,12 5.332,13 3.86,14 4.923,15 5.106,16 4.289,17 4.303,18 5.856,19 4.266,20 5.186,21 5.416,22 4.326,23 4.444,24 6.046,25 4.362,26 5.248,27 5.509,28 4.288,29 4.443,30 6.072,31 4.344,32 5.185,33 5.429,34 4.303,35 4.439,36 6.03,37 4.348,38 5.206,39 5.438,40 4.342,41 4.438,42 6.093,43 4.366,44 5.216,45 5.455,46 4.283,47 4.433,48 6.077,49 4.346,50 5.207,51 5.452,52 4.222,53 4.447,54 5.999,55 4.335,56 0.062,57 1.086,58 14.604,59 5.956,60 8.838,61 8.19,62 0.318,63 1.828,64 28.802,65 9.914,66 24.568,67 13.991,68 0.464,69 2.242,70 39.561,71 13.283,72 36.871,73 19.464,74 0.534,75 2.344,76 43.345,77 14.022,78 39.776,79 21.079,80 0.409,81 2.214,82 39.763,83 13.815,84 37.585,85 20.435,86 0.418,87 2.321,88 40.263,89 12.407,90 39.867,91 18.642,92 0.594,93 2.274,94 41.409,95 12.642,96 46.011,97 18.975,98 0.441,99 2.219,100 40.783,101 14.169,102 35.434,103 20.8,105 61,106 0.228,107 0.561,108 0.724,109 0.809,110 0.831,111 0.831,112 3.643,113 0.924,114 -5.63,115 -5.5,116 -5.13,119 42.6,121 2,125 7,127 1,142 10,143 3,145 1,147 1,149 1,152 2,161 1,166 1,172 11,174 3,175 10,180 3,183 12,186 2,187 6,190 2,192 2,195 7,198 6,199 6,204 1,207 5,211 2,212 8,215 2,217 1,220 5,223 1,224 13,227 1,232 5,236 3,237 8,242 2,245 6,249 2,250 12,253 1,258 5,263 11,266 1,271 6,275 2848,276 26.101,277 26.101,278 26.101,279 26.101,280 26.101,281 23.203,282 27.006,283 15.556,284 26.718,285 21.339,286 21.339,287 21.339,288 21.339,289 21.339,290 16.915,291 38.09,292 7.497,293 22.368,294 4.619,295 2.47,296 1.424,297 0.877,298 0.735,299 0.735,300 4.376,305 1,306 1129,307 2.646,310 154.274,311 533.721,314 292.007,318 2.073,319 22.845,322 0.75,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.82,330 78.5,331 492,332 4.7,333 3.382,334 6.904,335 4.242,336 3.293,337 4.648,338 0.916,339 11.62,340 3.124,341 4.477,342 3.079,343 6.373,344 3.994,345 3.022,346 4.41,347 0.86,348 9.868,349 2.938,350 4.03,351 3.026,352 6.307,353 3.775,354 2.833,355 3.462,356 0.8,357 9.531,358 2.674,359 3.931,360 2.947,361 5.88,362 3.606,363 2.649,364 3.451,365 0.172,366 8.152,367 2.548,368 3.828,369 2.59,370 5.635,371 3.445,372 2.488,373 3.234,375 7.739,376 2.376,377 3.523,378 2.446,379 5.515,380 3.307,381 2.34,382 2.606,384 7.102,385 2.245,386 3.257,387 2.344,388 5.044,389 3.04,390 2.097,391 2.353,393 6.051,394 1.969,395 3.053,396 2.119,397 4.745,398 2.654,399 1.734,400 2.323,402 4.819,403 1.593,404 3.032,405 1.58,406 4.414,407 2.53,408 1.554,409 2.298,411 4.312,412 1.52,413 2.943,414 1.553,415 4.396,416 2.507,417 1.532,418 2.05,420 4.148,421 1.488,422 2.823,423 1.532,424 4.082,425 2.415,426 1.428,427 1.937,428 3.225,429 1.406,430 2.74,431 1.487,432 3.762,433 2.236,434 1.29,435 1.831,436 3.004,437 1.218,438 2.5,439 1.266,440 3.587,441 2.147,442 1.228,443 1.5,445 2.974,446 1.118,447 2.487,448 1.256,449 3.586,450 2,451 1.044,452 1.482,454 2.751,455 1,456 2.379,457 1.077,458 3.419,459 1.985,460 1,461 1.367,463 2.275,464 0.983,465 17.633,466 0.477,467 0.701,468 0.019,469 48.25,470 1.304,471 22.5,472 0.608,473 25.75,474 0.696,475 34.604,476 0.935,477 38.767,478 0.57,479 36.707,480 0.992,481 9.3,482 0.251,483 9.014,484 0.244,487 0.323,493 0.869,494 1.392,495 0.779,496 1.111,497 0.762,498 0.963,499 1.343,500 1.158,501 0.973,502 0.967,503 1.006,504 0.935,505 1.085,506 1.122,507 1.009,508 1.004,509 0.888,510 0.999,511 0.897,512 0.936,513 0.959,514 0.899,515 1.063,516 0.92,517 0.777,518 1.053,519 0.9,520 0.974,521 1.004,522 0.949,523 1.259,524 1.192,525 1.09,526 1.034,527 1.297,528 1.026,529 1.3,530 1.019,531 1.146,532 0.95,533 1.364,534 1.003,535 0.939,536 0.991,537 1.071,538 1.033,539 0.843,540 1.054,541 5.5,542 0.129,543 3.556,544 1.889,545 1.881,546 1.119,547 0.875,548 0.629,549 0.393,550 0.241,551 23269,552 50036,553 2.281,554 45.6,556 25,558 1,559 1,562 4,564 1.785,565 2.242,566 3.651,567 -0.392,573 99.834,574 1.468,575 3.617,576 4.664,577 5.211,578 5.352,579 5.352,580 3.105,581 4.561,582 5.174,583 3.855,584 2567.54,585 9.13,586 41040.8,591 413.947,592 0.909,593 5.181,594 0.128,595 0.003,596 0.058,597 0.031,598 0.032,599 0.019,600 0.014,601 0.011,602 0.007,603 0.005,604 0.309,605 0.17,606 0.63,608 202.33,609 0.065,610 -0.205,611 0.098,612 -0.081,613 0.084,614 -0.004,615 -0.077,616 -0.028,617 -0.019,618 0.001,619 0.003,620 -0.006,621 0.005,622 -0.074,623 -0.03,624 -0.041,625 0.084,626 -0.044,627 0.055,628 0.094,629 0.035,630 0.045,631 -0.017,632 0.039,633 0.106,634 -0.03,635 0.073,636 0.003,637 0.006,638 0.028,639 -0.124,640 -0.102,641 -0.104,642 -0.107,643 -0.16,644 -0.1,645 -0.086,646 0.05,647 -0.148,648 -0.021,649 -0.19,650 -0.075,651 -0.02,652 0.027,653 -0.098,654 -0.055,655 0.003,656 -0.078,657 1.007,658 2.124,659 0.973,660 46.564,661 0.995,662 1.128,663 4.404,664 19.398,665 0.671,666 3.784,667 4.127,668 4.466,669 4.796,670 5.081,671 5.236,672 5.489,673 5.737,674 5.919,675 6.1,676 7.787,677 0.635,678 493.67,679 3.784,680 5.342,681 6.221,682 7.116,683 8.011,684 8.916,685 9.821,686 10.732,687 11.643,688 12.559,689 10.3,692 1,695 1,697 2,699 3,703 4,704 11,705 3,706 1,709 4,710 1,711 26,726 1,731 68,733 26,734 2,735 43,737 74,738 29,739 19,740 3,741 9,746 7,747 9,755 3,758 3,761 19,762 10,781 31,782 6,783 1,784 8,790 7,794 0.714,795 1,803 1,806 1,807 1,811 2,812 5,815 2,836 1,839 1,840 5,848 37,854 9,856 1,858 1,859 2,870 1.5,874 1,877 16.5,878 12.117,879 7.944,880 4.334,881 4.674,882 1.512,883 1.052,884 6.131,885 13.801,886 4.043,887 4.673,888 5.333,889 5.992,890 6.562,891 6.987,892 7.519,893 8.062,894 8.46,895 8.933,896 0.889,897 61,898 13.719,900 5.966,901 7.423,902 27.21,904 23.5,905 1.923,906 71.167,910 353.133,911 148.196,912 75.045,914 11,917 148.196,918 364.133,919 75.045,921 24.782,922 94.762,923 74.72,924 44.518,925 7.229,926 341.362,928 353.133,929 223.241,930 11,933 308.377,934 47.084,935 11,937 57.231,938 113.447,939 50.234,941 353.133,942 86.045,943 148.196,946 353.133,947 44.386,948 111.835,949 16.786,950 61.234,951 353.133,952 86.045,953 148.196,955 0.58,956 0.344,957 0.197,958 0.11,959 33,960 12,961 0.068,962 5,963 2,964 1.111,965 4.851,966 389.759,967 0.111,968 36,969 180.75,974 22.913,975 9.901,976 4.523,977 4.196,978 67.483,979 23.156,980 15.067,981 3.522,984 3.975,985 2.16,986 16.786,987 587.374,988 56,999 67.643,1000 76.68,1001 0.241,1002 0.594,1003 0.766,1004 0.856,1005 0.879,1006 0.879,1007 5.291,1008 1.734,1009 6.192,1010 6.051,1011 4.812,1012 5.361,1013 1.598,1014 7.024,1015 4.722,1016 6.484,1017 1.554,1018 7.751,1019 4.819,1020 4.29,1021 5.121,1022 0.57,1023 7.928,1024 4.149,1025 7.791,1026 1.532,1027 9.413,1028 4.312,1029 6.415,1030 7.608,1031 1.256,1032 11.081,1033 6.235,1034 9.137,1035 1.428,1036 11.138,1037 4.148,1038 6.781,1039 8.305,1040 0.581,1041 12.862,1042 6.548,1043 10.522,1044 1.29,1045 12.904,1046 3.225,1047 8.318,1048 10.213,1049 1.023,1050 15.511,1051 8.047,1052 11.935,1053 1.228,1054 14.7,1055 3.004,1056 9.098,1057 11.35,1058 0.515,1059 17.651,1060 8.774,1061 13.371,1062 1.044,1063 16.517,1064 2.974,1065 10.395,1066 13.023,1067 0.84,1068 20.139,1069 10.031,1070 3.293,1071 1,1072 18.349,1073 2.751,1074 11.373,1075 14.367,1076 0.441,1077 22.435,1078 10.957,1079 3.022,1080 11.62,1081 20.194,1082 2.275,1083 12.575,1084 15.944,1085 0.689,1086 24.874,1087 12.116,1088 2.833,1089 9.868,1090 22.049,1091 4.648,1092 13.649,1093 17.384,1094 0.373,1095 27.242,1096 13.137,1097 2.649,1098 9.531,1099 23.912,1100 4.41,1101 14.817,1102 18.923,1103 0.564,1104 29.67,1105 14.26,1106 2.488,1107 8.152,1108 25.782,1109 3.462,1110 15.937,1111 20.406,1112 0.314,1113 32.073,1114 15.327,1115 2.34,1116 7.739,1117 27.658,1118 3.451,1119 17.097,1120 21.932,1121 0.461,1122 34.503,1123 16.439,1124 2.097,1125 7.102,1126 29.539,1127 3.234,1128 18.241,1129 23.435,1130 0.264,1131 36.925,1132 17.531,1133 20718,1134 30577,1135 30.512,1136 45.631,1137 65.613,1138 65.49,1139 65.378,1140 65.339,1141 65.273,1142 84.871,1143 5.498,1144 189.516,1145 62.321,1146 5.7,1147 5.382,1148 6.706,1149 5.345,1150 5.293,1151 7.648,1152 1.776,1153 19.169,1154 5.124,1156 1.526,1157 1.523,1158 1.52,1159 1.52,1160 1.518,1161 1.974,1162 0.128,1163 4.407,1164 1.449,1165 4.181,1166 4.227,1167 4.152,1168 4.06,1169 5.153,1170 4.074,1171 4.048,1172 4.092,1173 4.01,1174 3.916,1175 4.936,1176 3.935,1177 3.927,1178 3.968,1179 3.852,1180 3.849,1181 4.755,1182 3.846,1183 3.786,1184 3.844,1185 3.679,1186 3.631,1187 4.628,1188 3.633,1189 3.695,1190 3.753,1191 3.578,1192 3.486,1193 4.536,1194 3.501,1195 3.451,1196 3.506,1197 3.379,1198 3.321,1199 4.267,1200 3.327,1201 3.242,1202 3.314,1203 3.134,1204 3.066,1205 4.2,1206 3.067,1207 3.111,1208 3.206,1209 2.97,1210 2.941,1211 3.978,1212 2.91,1213 0.109,1214 0.079,1215 0.161,1216 0.099,1217 0.077,1218 4.7,1219 0.108,1220 3.382,1221 0.021,1222 6.904,1223 0.27,1224 4.242,1225 0.073,1226 3.293,1227 4.648,1228 0.916,1229 11.62,1230 3.124,1231 1.935,1232 1.903,1233 2.081,1234 2.097,1235 1.426,1236 2.088,1237 1.927,1238 1.896,1239 2.027,1240 2.034,1241 1.218,1242 2.024,1243 1.884,1244 1.844,1245 1.998,1246 2.007,1247 1.14,1248 2.014,1249 1.788,1250 1.732,1251 1.951,1252 1.95,1253 1.134,1254 1.96,1255 1.626,1256 1.572,1257 1.783,1258 1.848,1259 0.929,1260 1.836,1261 1.439,1262 1.398,1263 1.556,1264 1.611,1265 0.825,1266 1.593,1267 1.314,1268 1.234,1269 1.514,1270 1.595,1271 0.825,1272 1.569,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.737,1278 1.429,1279 4.466,1281 5.802,1282 3.045,1283 7.339,1284 5.416,1285 8.963,1286 7.545,1287 10.635,1295 8.283,1297 5.624,1299 0.326,1300 4.857,1305 43.186,1306 99.834,1307 245.964,1308 317.119,1309 354.338,1310 363.947,1311 363.947,1312 45.291,1313 9.127,1314 75.1,1315 75.1,1316 40,1317 13.072,1318 4.755,1319 3.807,1320 46.652,1321 166,1322 209,1323 0.131,1324 256.55,1325 425.99,1326 617.741,1327 132355,1329 24.606,1330 0.665,1331 0.564,1332 24.606,1333 20.884,1334 18.315,1335 0.426,1336 0.308,1337 13.056,1338 17.637,1339 12.844,1340 10.514,1341 18.315,1342 13.241,1343 16.419,1344 0.269,1345 0.165,1346 16.419,1347 10.06,1348 14.721,1349 0.171,1350 0.089,1351 14.721,1352 7.667,1353 12.967,1354 0.108,1355 0.047,1356 12.967,1357 5.672,1358 11.039,1359 0.069,1360 0.026,1361 11.039,1362 4.107,1363 0.205,1364 114.292,1365 0.181,1366 33.592,1367 0.362,1368 208,1369 509.939,1370 226.171,1371 497.407,1372 712.08,1373 474,1374 251,1375 551.62,1376 272.447,1377 557.13,1378 828.92,1379 528,1380 5.954}
{0 CHEMBL586702,1 1.818,2 8.867,3 3.361,4 11.298,5 107.512,6 8.186,7 0.471,8 4.09,9 4.208,10 3.74,11 3.499,12 5.182,13 3.543,14 4.696,15 4.88,16 4.133,17 3.89,18 5.96,19 3.922,20 4.861,21 5.078,22 4.17,23 4.022,24 5.954,25 4.015,26 4.864,27 5.095,28 4.184,29 4.012,30 5.984,31 4.012,32 4.839,33 5.059,34 4.252,35 3.971,36 6.152,37 4.004,38 4.837,39 5.031,40 4.267,41 3.986,42 6.081,43 4.046,44 4.928,45 5.13,46 4.245,47 4.131,48 6.109,49 4.118,50 5.088,51 5.3,52 4.172,53 4.283,54 6.041,55 4.2,56 0.184,57 0.948,58 9.138,59 3.98,60 16.273,61 5.137,62 0.963,63 1.555,64 22.354,65 6.855,66 83.74,67 8.546,68 0.982,69 1.629,70 27.675,71 7.29,72 57.539,73 11.278,74 0.752,75 1.767,76 27,77 7.774,78 53.091,79 11.271,80 0.973,81 1.798,82 26.594,83 6.38,84 81.512,85 9.944,86 0.828,87 1.935,88 24.737,89 6.363,90 55.435,91 8.202,92 1.251,93 1.904,94 28.085,95 7.946,96 71.62,97 11.025,98 0.697,99 2.09,100 32.834,101 13.432,102 63.582,103 17.682,104 6,105 48,106 0.304,107 0.555,108 0.664,109 0.7,110 0.706,111 0.706,112 3.442,113 0.872,114 -4.81,115 -4.72,116 -4.43,119 37.3,125 8,128 1,142 4,146 1,150 3,152 1,161 1,172 3,174 10,175 2,183 2,186 2,187 4,195 1,198 8,199 4,211 4,212 4,223 3,224 5,236 6,237 6,250 3,262 2,263 2,275 1468,276 20.775,277 20.775,278 20.775,279 20.775,280 20.775,281 19.058,282 29.755,283 12.438,284 21.792,285 16.859,286 16.859,287 16.859,288 16.859,289 16.859,290 14.084,291 44.898,292 5.956,293 18.539,294 3.855,295 2.358,296 1.701,297 1.49,298 1.451,299 1.451,300 4.154,304 1,305 1,306 589,307 2.739,310 59.49,311 336.023,314 114.92,318 1.102,319 42.902,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68.5,331 266,332 4.716,333 3.655,334 7.005,335 4.242,336 3.317,337 4.642,338 2.375,339 11.982,340 3.072,341 4.274,342 3.251,343 6.3,344 3.882,345 2.973,346 3.893,347 0.86,348 9.642,349 2.699,350 3.795,351 3.036,352 6.016,353 3.591,354 2.684,355 3.187,356 0.86,357 8.629,358 2.432,359 3.777,360 3.013,361 5.857,362 3.378,363 2.442,364 2.972,365 0.8,366 7.878,367 2.277,368 3.513,369 2.516,370 5.587,371 3.193,372 2.301,373 2.751,374 0.8,375 7.13,376 2.041,377 3.096,378 2.284,379 4.758,380 2.775,381 1.874,382 2.271,384 5.053,385 1.684,386 2.938,387 2.25,388 4.428,389 2.577,390 1.697,391 2.11,393 4.152,394 1.488,395 2.863,396 1.759,397 4.283,398 2.457,399 1.5,400 1.964,402 4.065,403 1.431,404 2.838,405 1.624,406 4.005,407 2.396,408 1.449,409 1.879,411 3.236,412 1.367,413 2.332,414 1.378,415 3.587,416 2.022,417 1.155,418 1.302,420 2.721,421 0.993,422 2.228,423 1.301,424 3.51,425 1.952,426 1,427 1.203,428 2.521,429 0.946,430 2.166,431 1.288,432 3.472,433 1.952,434 1,435 1.132,436 2.509,437 0.946,438 2,439 1.256,440 3.287,441 1.869,442 1,443 1,445 2.136,446 0.866,447 2,448 1.256,449 3.247,450 1.85,451 1,452 1,454 2.136,455 0.834,456 1.971,457 0.534,458 3.247,459 1.437,460 0.498,461 0.728,463 1.309,464 0.466,465 13.538,466 0.451,467 0.64,468 0.021,469 37.75,470 1.258,471 15,472 0.5,473 22.75,474 0.758,475 25.951,476 0.865,477 33.862,478 0.664,479 30.401,480 1.013,481 7.573,482 0.252,483 7.131,484 0.238,485 0.042,487 0.347,489 2,493 0.733,494 1.48,495 0.645,496 1.376,497 0.569,498 1.062,499 0.99,500 0.787,501 0.908,502 0.83,503 0.681,504 0.847,505 0.726,506 0.85,507 0.837,508 0.852,509 0.488,510 0.875,511 0.718,512 1.036,513 0.827,514 0.981,515 0.733,516 0.93,517 0.781,518 1.059,519 0.776,520 0.844,521 0.763,522 0.791,523 1.36,524 1.444,525 1.087,526 1.035,527 1.312,528 0.944,529 0.864,530 0.728,531 1.145,532 0.855,533 0.949,534 1.023,535 0.683,536 1.145,537 1.033,538 1.491,539 0.694,540 1.416,541 4.5,542 0.082,543 2.889,544 1.979,545 1.593,546 1.107,547 0.926,548 0.576,549 0.282,550 0.165,551 10821,552 32754,553 2.186,554 41.2,556 20,557 1,564 1.74,565 2.093,566 3.115,567 -0.627,568 1,569 1,573 92.693,574 1.818,575 3.315,576 3.971,577 4.182,578 4.221,579 4.221,580 2.374,581 3.774,582 4.88,583 3.277,584 1425.34,585 8.575,586 19285.4,588 1,590 1,591 289.294,592 1.231,593 4.859,594 0.132,595 0.006,596 0.06,597 0.04,598 0.032,599 0.021,600 0.017,601 0.011,602 0.006,603 0.005,604 0.331,605 0.33,606 0.88,607 0.588,608 149.727,609 -0.068,610 -0.406,611 0.079,612 -0.271,613 -0.049,614 -0.093,615 0.015,616 0.224,617 -0.006,618 0.126,619 0.131,620 0.054,621 0.049,622 0.006,623 0.072,624 0.092,625 0.072,626 0.081,627 -0.003,628 -0.097,629 0.076,630 -0.051,631 -0.024,632 0.019,633 0.101,634 -0.041,635 0.153,636 0.063,637 0.143,638 0.116,639 -0.294,640 -0.226,641 -0.177,642 -0.115,643 -0.133,644 -0.091,645 0.072,646 0.379,647 -0.253,648 0.102,649 -0.008,650 -0.119,651 -0.003,652 -0.217,653 -0.154,654 -0.387,655 -0.009,656 -0.336,657 4.104,658 5.853,659 0.9,660 24.867,661 1.029,662 1.155,663 3.576,664 12.79,665 0.645,666 3.555,667 3.892,668 4.22,669 4.554,670 4.852,671 4.97,672 5.193,673 5.38,674 5.489,675 5.576,676 5.761,677 0.638,678 417.47,679 3.555,680 5.106,681 5.979,682 6.876,683 7.774,684 8.682,685 9.59,686 10.504,687 11.418,688 12.336,689 13.7,695 2,697 1,699 4,702 1,703 2,704 4,705 4,709 4,710 1,711 16,726 2,731 51,733 16,734 1,735 34,737 55,738 19,739 10,740 2,741 4,745 1,746 5,747 6,752 1,761 10,762 9,778 1,779 2,781 21,782 10,784 11,787 1,790 7,794 0.8,795 2,811 1,812 4,815 1,839 2,840 4,846 2,848 30,854 8,856 2,858 1,859 2,869 2,870 3.9,874 2,877 14.333,878 9.186,879 6.528,880 3.124,881 3.242,882 1.407,883 1.01,884 5.464,885 11.216,886 3.761,887 4.353,888 4.996,889 5.663,890 6.259,891 6.67,892 7.16,893 7.622,894 7.905,895 8.249,896 0.833,897 50,898 11.273,900 5.008,901 7.911,902 21.081,904 17.517,905 2.411,906 72.333,908 1,909 1,910 247.193,911 85.126,912 75.29,914 22,915 29.92,917 85.126,918 269.193,919 105.21,921 26.792,922 46.02,923 91.47,924 40.212,925 19.613,926 235.422,928 247.193,929 160.415,930 51.92,933 247.193,934 29.92,935 22,936 8.115,937 38.861,938 46.298,939 67.142,941 277.113,942 97.29,943 85.126,946 255.308,947 39.106,948 46.053,950 119.062,951 247.193,952 127.21,953 85.126,955 0.578,956 0.343,957 0.2,958 0.119,959 25,960 10,961 0.055,962 3,963 1,964 1.074,965 4.039,966 292.148,967 0.074,968 27,969 121.207,974 19.554,975 8.382,976 3.862,977 0.994,978 125.311,979 6.981,980 17.896,984 0.644,985 1.329,987 459.529,988 42,999 52.461,1000 58.908,1001 0.32,1002 0.584,1003 0.7,1004 0.737,1005 0.744,1006 0.744,1007 5.017,1008 1.5,1009 5.958,1010 4.152,1011 4.575,1012 5.04,1013 2.677,1014 6.804,1015 4.394,1016 6.201,1017 1.449,1018 7.529,1019 4.065,1020 4.111,1021 4.844,1022 2.404,1023 7.763,1024 3.825,1025 7.506,1026 1.155,1027 9.206,1028 3.236,1029 6.184,1030 7.251,1031 3.73,1032 10.928,1033 5.836,1034 8.853,1035 1,1036 10.948,1037 2.721,1038 6.594,1039 7.971,1040 4.231,1041 12.771,1042 6.146,1043 10.241,1044 1,1045 12.733,1046 2.521,1047 8.113,1048 9.843,1049 5.272,1050 15.445,1051 7.6,1052 11.659,1053 1,1054 14.547,1055 2.509,1056 8.931,1057 10.993,1058 6.014,1059 17.65,1060 8.327,1061 13.1,1062 1,1063 16.383,1064 2.136,1065 10.226,1066 12.651,1067 6.948,1068 20.17,1069 9.554,1070 3.317,1071 0.498,1072 18.234,1073 2.136,1074 11.236,1075 14.004,1076 7.767,1077 22.529,1078 10.481,1079 2.973,1080 11.982,1081 20.098,1082 1.309,1083 12.446,1084 15.577,1085 8.66,1086 25.007,1087 11.619,1088 2.684,1089 9.642,1090 21.973,1091 4.642,1092 13.546,1093 17.025,1094 9.507,1095 27.432,1096 12.64,1097 2.442,1098 8.629,1099 23.856,1100 3.893,1101 14.727,1102 18.565,1103 10.383,1104 29.902,1105 13.749,1106 2.301,1107 7.878,1108 25.746,1109 3.187,1110 15.869,1111 20.056,1112 11.241,1113 32.357,1114 14.814,1115 1.874,1116 7.13,1117 27.642,1118 2.972,1119 17.045,1120 21.587,1121 12.11,1122 34.828,1123 15.917,1124 1.697,1125 5.053,1126 29.544,1127 2.751,1128 18.207,1129 23.098,1130 12.972,1131 37.296,1132 17.004,1133 10075,1134 17712,1135 23.463,1136 32.915,1137 51.956,1138 52.467,1139 52.47,1140 51.878,1141 51.782,1142 64.067,1143 11.39,1144 150.195,1145 47.086,1146 5.716,1147 5.655,1148 6.807,1149 5.345,1150 5.317,1151 7.642,1152 3.885,1153 19.241,1154 5.072,1155 9.889,1156 1.528,1157 1.543,1158 1.543,1159 1.526,1160 1.523,1161 1.884,1162 0.335,1163 4.418,1164 1.385,1165 4.14,1166 4.186,1167 4.121,1168 3.998,1169 8.362,1170 4.021,1171 3.886,1172 3.945,1173 3.834,1174 3.662,1175 7.999,1176 3.697,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 5.122,1182 3.533,1183 3.586,1184 3.639,1185 3.502,1186 3.381,1187 4.911,1188 3.405,1189 3.453,1190 3.507,1191 3.401,1192 3.213,1193 4.616,1194 3.25,1195 3.111,1196 3.206,1197 2.998,1198 2.941,1199 4.597,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.287,1206 2.91,1207 3.044,1208 3.11,1209 2.866,1210 2.786,1211 4.022,1212 2.802,1213 0.139,1214 0.108,1215 0.206,1216 0.125,1217 0.098,1218 4.716,1219 0.137,1220 3.655,1221 0.07,1222 7.005,1223 0.352,1224 4.242,1225 0.09,1226 3.317,1227 4.642,1228 2.375,1229 11.982,1230 3.072,1231 1.925,1232 1.894,1233 2.013,1234 2.085,1235 1.207,1236 2.052,1237 1.786,1238 1.727,1239 1.941,1240 1.983,1241 1.187,1242 1.98,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.118,1248 1.926,1249 1.565,1250 1.51,1251 1.648,1252 1.821,1253 0.825,1254 1.781,1255 1.338,1256 1.284,1257 1.513,1258 1.625,1259 0.825,1260 1.57,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.735,1266 1.429,1267 1.153,1268 1.064,1269 1.427,1270 1.376,1271 0.443,1272 1.429,1273 0.952,1274 0.9,1275 1.136,1276 1.2,1277 0.258,1278 1.167,1279 4.234,1281 5.565,1282 2.398,1283 7.102,1284 4.844,1285 8.732,1286 7.066,1287 10.41,1291 27.707,1295 4.732,1297 10.849,1299 -2.771,1300 3.972,1305 32.56,1306 92.693,1307 169.052,1308 202.539,1309 213.294,1310 215.294,1311 215.294,1312 48.115,1313 7.974,1314 81.43,1315 81.43,1316 29,1317 12.847,1318 4.087,1319 3.17,1320 41.055,1321 101,1322 102,1323 0.195,1324 193.515,1325 331,1326 463.937,1327 29984,1328 3.9,1329 20.501,1330 0.683,1331 0.542,1332 18.924,1333 16.247,1334 14.704,1335 0.432,1336 0.291,1337 9.602,1338 13.679,1339 9.549,1340 7.721,1341 13.793,1342 9.879,1343 13.213,1344 0.275,1345 0.146,1346 12.282,1347 7.029,1348 11.382,1349 0.17,1350 0.077,1351 10.788,1352 5.17,1353 10.026,1354 0.107,1355 0.039,1356 9.657,1357 3.654,1358 8.781,1359 0.069,1360 0.02,1361 8.129,1362 2.497,1363 0.293,1364 95.236,1365 0.206,1366 27.482,1367 0.579,1368 164,1369 643.209,1370 194.776,1371 547.027,1372 738.56,1373 518,1374 197,1375 527.399,1376 227.757,1377 514.648,1378 780.5,1379 485,1380 7.585}
{0 CHEMBL58782,1 1.62,2 6.333,3 1.198,4 1.435,5 54.626,6 8.964,7 0.75,8 3.22,9 3.309,10 2.933,11 2.835,12 4.619,13 2.849,14 3.594,15 3.713,16 3.213,17 3.152,18 4.932,19 3.148,20 3.786,21 3.937,22 3.245,23 3.227,24 5.134,25 3.205,26 3.765,27 3.946,28 3.038,29 3.079,30 5.226,31 3.025,32 3.61,33 3.846,34 2.815,35 2.871,36 4.819,37 2.808,38 3.335,39 3.556,40 2.612,41 2.534,42 4.745,43 2.518,44 2.925,45 3.085,46 2.225,47 2.017,48 4.583,49 2.056,50 2.504,51 2.747,52 1.508,53 1.266,54 4.205,55 1.269,56 0.054,57 0.317,58 2.72,59 1.62,60 9.62,61 1.611,62 0.113,63 0.469,64 4.342,65 2.336,66 14.861,67 2.487,68 0.103,69 0.549,70 6.256,71 3.143,72 17.109,73 3.527,74 0.194,75 0.526,76 7.248,77 3.216,78 44.045,79 3.72,80 0.119,81 0.456,82 7.533,83 2.889,84 23.007,85 3.79,86 0.128,87 0.356,88 5.372,89 1.859,90 19.231,91 2.166,92 0.099,93 0.216,94 3.064,95 1.087,96 21.478,97 0.853,98 0.147,99 0.136,100 2.968,101 0.727,102 26.807,103 0.713,104 6,105 21,106 0.327,107 0.634,108 0.776,109 0.827,110 0.827,111 0.827,112 2.795,113 0.807,114 -2.16,115 -2.2,116 -2.18,119 50,142 3,143 3,145 3,147 1,158 1,172 5,175 5,178 1,180 1,183 5,187 4,192 1,195 3,198 1,199 4,202 1,204 1,207 2,212 2,217 1,223 1,224 3,229 2,249 1,253 1,275 211,276 10.284,277 10.284,278 10.284,279 10.284,280 10.284,281 8.728,282 4.176,283 6.188,284 10.465,285 7.826,286 7.826,287 7.826,288 7.826,289 7.826,290 5.51,291 2.773,292 2.844,293 8.116,294 2.839,295 1.319,296 0.614,297 0.364,298 0.364,299 0.364,300 3.444,304 1,305 1,306 196,307 1.732,311 91.757,318 1.022,319 15.197,322 1,323 0.83,324 0.83,325 0.4,327 1,328 1,329 0.72,330 32.5,331 95,332 4.365,333 4.072,334 6.24,335 3.944,336 2.962,337 4.044,338 2.035,339 9.374,340 2.913,341 4.005,342 2.978,343 5.898,344 3.566,345 2.594,346 3.522,348 8.129,349 2.517,350 3.386,351 2.664,352 4.454,353 2.762,354 1.801,355 2.622,357 4.467,358 1.729,359 3.215,360 1.831,361 4.2,362 2.458,363 1.531,364 2.185,366 3.833,367 1.411,368 2.653,369 1.648,370 3.505,371 2.098,372 1.15,373 1.69,375 2.688,376 1.086,377 2.629,378 1.177,379 3.247,380 1.984,381 1,382 1.5,384 2.136,385 0.983,386 2.5,387 1,388 2.869,389 1.46,390 0.528,391 0.972,393 0.889,394 0.49,395 1.321,396 0.464,397 2.549,398 0.794,399 -0.121,400 -0.171,402 -0.227,403 -0.11,404 0.763,405 -0.316,406 2.141,407 0.25,408 -0.717,409 -1.012,411 -1.581,412 -0.692,413 0.602,414 -0.7,415 1.697,416 0.091,417 -0.87,418 -1.324,420 -2.262,421 -0.829,422 0.5,423 -1,424 1.555,425 -0.049,426 -1,427 -1.5,428 -2.347,429 -0.946,430 -0.026,431 -1.149,432 1.25,433 -0.411,434 -1.325,435 -1.763,436 -3.338,437 -1.208,438 -0.298,439 -1.198,440 1.016,441 -0.676,442 -1.647,443 -2.282,445 -4.666,446 -1.604,447 -0.5,448 -1.86,449 0.703,450 -0.897,451 -1.886,452 -2.483,454 -4.789,455 -1.857,456 -0.5,457 -2,458 0.478,459 -1.035,460 -2,461 -3,463 -5.977,464 -1.936,465 7.033,466 0.469,467 0.277,468 0.018,469 25,470 1.667,471 15.5,472 1.033,473 9.5,474 0.633,475 6.275,476 0.418,477 14.567,478 0.662,479 14.401,480 0.96,481 5.005,482 0.334,483 2.304,484 0.154,485 0.104,487 0.284,493 0.921,494 1.078,495 0.671,496 0.856,497 0.749,498 0.752,499 0.678,500 0.93,501 0.809,502 0.883,503 0.541,504 0.868,505 0.838,506 1.098,507 0.937,508 1.141,509 0.658,510 1.076,511 0.883,512 0.983,513 1.146,514 1.15,515 0.914,516 1.209,517 0.647,518 1.034,519 0.869,520 0.979,521 0.725,522 0.963,523 1.114,524 0.891,525 1.045,526 0.915,527 1.112,528 0.93,529 2.389,530 1.492,531 1.527,532 1.335,533 2.744,534 1.283,535 2.239,536 0.365,537 1.617,538 0.551,539 3.038,540 0.895,541 2.5,543 1.778,544 0.75,545 0.564,546 0.424,547 0.182,548 0.09,549 0.041,551 1536,552 5658,553 2.032,554 31.8,556 3,558 3,559 1,564 1.532,565 1.915,566 2.752,567 -0.2,571 1,573 35.647,574 1.62,575 3.14,576 3.845,577 4.096,578 4.096,579 4.096,580 2.206,581 3.374,582 3.88,583 2.797,584 293.684,585 6.508,586 2394.89,588 1,591 98.107,592 1.338,593 3.843,594 0.156,596 0.085,597 0.036,598 0.035,599 0.033,600 0.018,601 0.015,602 0.02,604 0.398,605 0.67,606 1,607 0.909,608 58.122,609 -0.146,610 -0.107,611 -0.015,612 0.032,613 -0.092,614 0.03,615 0.037,616 0.069,617 -0.096,618 0.007,619 -0.002,620 -0.05,621 -0.071,622 -0.169,623 -0.089,624 -0.197,625 0.032,626 -0.153,627 0.066,628 -0.072,629 -0.169,630 -0.17,631 0.093,632 -0.221,633 0.036,634 -0.126,635 0.241,636 0.047,637 0.018,638 0.161,639 -0.079,640 0.116,641 0.043,642 0.034,643 -0.062,644 0.071,645 -0.563,646 -0.522,647 -0.478,648 -0.443,649 -0.611,650 -0.448,651 0.104,652 0.666,653 -0.174,654 0.434,655 -0.397,656 0.124,657 1.907,658 3.236,659 0.8,660 8.08,661 1.018,662 1.115,663 0.93,664 0.864,665 0.727,666 2.833,667 3.091,668 3.332,669 3.497,670 3.689,671 3.584,672 3.555,673 3.401,674 3.219,675 2.944,676 3.967,677 0.72,678 197.21,679 2.833,680 4.317,681 5.142,682 5.984,683 6.828,684 7.676,685 8.526,686 9.377,687 10.228,688 11.08,689 13.6,698 1,699 2,704 6,705 2,709 4,711 12,713 1,728 1,731 22,733 13,735 16,737 23,738 11,739 10,746 2,747 2,760 1,761 10,778 1,781 7,782 4,783 1,784 4,790 3,794 1,795 1,805 2,812 2,840 2,848 15,853 1,861 1,866 1,868 1,870 4.5,872 1,877 7.833,878 4.05,879 3.472,880 1.176,881 2.482,882 1.435,883 0.931,884 2.408,885 8.189,886 3.219,887 3.761,888 4.369,889 4.913,890 5.455,891 5.596,892 5.962,893 6.173,894 6.366,895 6.503,896 1,897 21,898 5.439,899 -0.001,900 2.244,901 8.111,902 9.945,904 7.675,905 2.611,906 39.167,907 0.002,910 70.627,911 81.729,912 64.63,914 42.683,917 81.729,918 113.31,919 64.63,922 28.429,923 128.169,924 67.758,926 35.313,928 70.627,929 146.36,930 42.683,933 70.627,934 42.683,937 58.202,938 54.587,939 33.571,941 70.627,942 107.314,943 81.729,946 70.627,947 9.557,948 55.571,949 16.602,950 107.314,951 70.627,952 107.314,953 81.729,955 0.563,956 0.339,957 0.177,958 0.095,959 10,960 4,961 0.043,962 1,964 1,965 2.74,966 94.717,968 12,969 54.603,974 9.326,975 3.873,976 1.83,978 107.314,979 10.066,980 7.635,984 1.625,986 42.683,987 259.67,988 24,999 22.4,1000 24.535,1001 0.363,1002 0.704,1003 0.862,1004 0.918,1005 0.918,1006 0.918,1007 4.407,1008 -0.121,1009 5.094,1010 0.889,1011 3.761,1012 4.443,1013 2.228,1014 5.849,1015 3.696,1016 5.619,1017 -0.717,1018 6.621,1019 -0.227,1020 3.219,1021 4.007,1023 6.676,1024 3.149,1025 6.908,1026 -0.87,1027 8.254,1028 -1.581,1029 5.293,1030 6.623,1031 3.563,1032 9.732,1033 5.187,1034 8.233,1035 -1,1036 9.949,1037 -2.262,1038 5.602,1039 7.046,1041 11.381,1042 5.496,1043 9.588,1044 -1.325,1045 11.682,1046 -2.347,1047 7.116,1048 9.063,1049 4.962,1050 13.922,1051 6.978,1052 10.964,1053 -1.647,1054 13.441,1055 -3.338,1056 7.821,1057 9.913,1059 15.891,1060 7.681,1061 12.358,1062 -1.886,1063 15.216,1064 -4.666,1065 9.089,1066 11.639,1067 6.378,1068 18.242,1069 8.922,1070 2.962,1071 -2,1072 17.002,1073 -4.789,1074 9.984,1075 12.722,1077 20.347,1078 9.81,1079 2.594,1080 9.374,1081 18.797,1082 -5.977,1083 11.141,1084 14.293,1085 7.797,1086 22.622,1087 10.945,1088 1.801,1089 8.129,1090 20.597,1091 4.044,1092 12.128,1093 15.506,1095 24.789,1096 11.921,1097 1.531,1098 4.467,1099 22.401,1100 3.522,1101 13.237,1102 16.994,1103 9.217,1104 27.034,1105 13.01,1106 1.15,1107 3.833,1108 24.208,1109 2.622,1110 14.268,1111 18.282,1113 29.231,1114 14.029,1115 1,1116 2.688,1117 26.017,1118 2.185,1119 15.356,1120 19.725,1121 10.638,1122 31.465,1123 15.1,1124 0.528,1125 2.136,1126 27.828,1127 1.69,1128 16.41,1129 21.057,1131 33.678,1132 16.14,1133 1593,1134 3125,1135 10.633,1136 15.994,1137 24.506,1138 26.057,1139 24.077,1140 23.155,1141 23.132,1142 33.072,1143 4.069,1144 63.033,1145 22.258,1146 4.98,1147 6.072,1148 6.042,1149 4.981,1150 4.962,1151 7.044,1152 4.069,1153 15.705,1154 4.86,1155 6.2,1156 1.532,1157 1.629,1158 1.505,1159 1.447,1160 1.446,1161 2.067,1162 0.254,1163 3.94,1164 1.391,1165 3.981,1166 4.01,1167 3.944,1168 3.899,1169 6.822,1170 3.906,1171 3.72,1172 3.761,1173 3.673,1174 3.593,1175 6.472,1176 3.608,1177 3.153,1178 3.209,1179 3.127,1180 2.985,1181 4.927,1182 3.012,1183 2.906,1184 2.941,1185 2.844,1186 2.735,1187 4.653,1188 2.715,1189 2.854,1190 2.925,1191 2.687,1192 2.622,1193 3.84,1194 2.674,1195 2.537,1196 2.614,1197 2.409,1198 2.3,1199 3.674,1200 2.316,1201 2.501,1202 2.58,1203 2.373,1204 2.241,1205 3.629,1206 2.266,1207 1.886,1208 1.982,1209 1.663,1210 1.377,1211 3.097,1212 1.434,1213 0.273,1214 0.254,1215 0.39,1216 0.247,1217 0.185,1218 4.365,1219 0.253,1220 4.072,1221 0.127,1222 6.24,1223 0.586,1224 3.944,1225 0.182,1226 2.962,1227 4.044,1228 2.035,1229 9.374,1230 2.913,1231 1.938,1232 1.913,1233 2.016,1234 2.039,1235 1.097,1236 2.033,1237 1.671,1238 1.636,1239 1.766,1240 1.825,1241 0.755,1242 1.809,1243 1.072,1244 1.026,1245 1.181,1246 1.264,1247 0.218,1248 1.233,1249 0.886,1250 0.821,1251 1.163,1252 1.096,1253 0.093,1254 1.107,1255 0.757,1256 0.712,1257 0.945,1258 1.062,1260 1.044,1261 0.47,1262 0.389,1263 0.757,1264 0.787,1266 0.781,1267 0.427,1268 0.358,1269 0.715,1270 0.725,1272 0.741,1275 0.381,1276 0.207,1278 0.23,1279 3.497,1281 4.762,1283 6.252,1285 7.834,1287 9.459,1294 9.236,1303 8.727,1304 1.877,1305 15.833,1306 35.647,1307 69.088,1308 84.598,1309 90.107,1310 90.107,1311 90.107,1312 19.475,1313 5.707,1314 69.8,1315 69.8,1316 12,1317 11.637,1318 3.807,1319 3.17,1320 23.534,1321 35,1322 30,1323 0.346,1324 102.459,1325 173.01,1326 241.761,1327 1650,1329 10.673,1330 0.712,1331 0.517,1332 10.673,1333 7.753,1334 7.309,1335 0.457,1336 0.269,1337 4.249,1338 7.054,1339 4.163,1340 3.477,1341 7.309,1342 4.305,1343 6.117,1344 0.291,1345 0.14,1346 6.117,1347 2.943,1348 5.244,1349 0.194,1350 0.074,1351 5.244,1352 2.001,1353 4.054,1354 0.127,1355 0.039,1356 4.054,1357 1.242,1358 3.19,1359 0.082,1360 0.02,1361 3.19,1362 0.784,1363 0.515,1364 45.738,1365 0.307,1366 15.058,1367 1.021,1368 74,1369 253.085,1370 80.017,1371 253.397,1372 337.26,1373 234,1374 85,1375 240.016,1376 90.823,1377 247.452,1378 351.72,1379 231,1380 4.602}
{0 CHEMBL589103,1 1.652,2 13.364,3 1.822,4 3.318,5 122.215,6 7.956,7 0.595,8 4.162,9 4.292,10 3.792,11 3.627,12 5.305,13 3.647,14 4.689,15 4.868,16 4.14,17 3.998,18 5.812,19 4,20 4.893,21 5.112,22 4.174,23 4.106,24 5.966,25 4.083,26 4.885,27 5.112,28 4.148,29 4.087,30 5.984,31 4.058,32 4.867,33 5.08,34 4.142,35 4.076,36 6.018,37 4.059,38 4.847,39 5.049,40 4.124,41 4.094,42 5.945,43 4.072,44 4.861,45 5.068,46 4.016,47 4.122,48 5.895,49 4.056,50 4.911,51 5.157,52 3.833,53 4.096,54 5.862,55 3.955,56 0.132,57 0.944,58 10.414,59 4.244,60 9.999,61 5.616,62 0.496,63 1.438,64 20.917,65 6.835,66 31.817,67 9.434,68 0.639,69 1.646,70 28.152,71 8.262,72 46.341,73 11.916,74 0.514,75 1.636,76 27.603,77 8.183,78 44.283,79 12.126,80 0.612,81 1.581,82 27.154,83 7.643,84 62.201,85 11.044,86 0.569,87 1.602,88 25.433,89 7.371,90 44.252,91 10.438,92 0.566,93 1.585,94 25.741,95 8.352,96 40.115,97 11.852,98 0.465,99 1.498,100 29.666,101 11.501,102 50.468,103 16.503,104 6,105 51,106 0.268,107 0.631,108 0.766,109 0.827,110 0.841,111 0.841,112 3.532,113 0.87,114 -3.9,115 -3.86,116 -3.66,119 39.3,120 1,125 5,142 6,143 1,144 2,145 2,146 1,147 1,149 1,159 1,161 1,166 2,172 5,174 4,175 4,178 2,179 1,180 3,183 4,186 5,187 6,190 1,192 3,195 2,198 5,199 11,204 4,211 2,212 9,215 1,217 3,223 1,224 11,227 2,229 1,232 3,236 3,237 7,245 6,249 2,250 4,253 4,258 5,263 4,266 2,271 1,275 2013,276 22.955,277 22.955,278 22.955,279 22.955,280 22.955,281 20.291,282 26.921,283 13.737,284 23.624,285 18.268,286 18.268,287 18.268,288 18.268,289 18.268,290 14.157,291 35.692,292 6.508,293 19.295,294 4.155,295 1.913,296 1.081,297 0.706,298 0.621,299 0.621,300 4.244,304 1,305 1,306 978,307 3.24,310 82.429,311 415.033,314 144.403,318 2.088,319 30.087,322 0.75,323 0.83,324 0.83,325 0.7,327 0.83,328 1,329 0.71,330 72.5,331 441,332 4.673,333 3.562,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.172,342 3.348,343 6.11,344 3.777,345 2.801,346 3.792,347 0.86,348 8.946,349 2.731,350 3.976,351 2.906,352 6.095,353 3.608,354 2.671,355 3.479,356 0.8,357 8.804,358 2.537,359 3.899,360 2.796,361 5.568,362 3.589,363 2.643,364 3.303,365 0.247,366 7.635,367 2.456,368 3.757,369 2.548,370 5.323,371 3.364,372 2.401,373 3.138,375 6.925,376 2.309,377 3.405,378 2.414,379 5.12,380 2.962,381 2.005,382 2.655,384 5.793,385 1.928,386 3.183,387 2.318,388 4.678,389 2.899,390 1.936,391 2.279,393 5.114,394 1.836,395 2.968,396 1.908,397 4.414,398 2.454,399 1.516,400 2.176,402 4.257,403 1.422,404 2.844,405 1.535,406 4.35,407 2.398,408 1.486,409 1.975,411 3.863,412 1.347,413 2.744,414 1.519,415 3.762,416 2.338,417 1.374,418 1.818,420 2.995,421 1.317,422 2.5,423 1.32,424 3.569,425 2.079,426 1.164,427 1.5,428 2.899,429 1.059,430 2.5,431 1.256,432 3.43,433 2,434 1,435 1.5,436 2.275,437 1,438 2.473,439 1,440 3.414,441 1.956,442 1,443 1.466,445 2.136,446 0.953,447 2.113,448 1,449 3.247,450 1.952,451 1,452 1.043,454 2.136,455 0.946,456 2,457 0.945,458 3.247,459 1.783,460 0.843,461 1,463 2.053,464 0.789,465 15.267,466 0.463,467 0.636,468 0.019,469 46.25,470 1.402,471 23,472 0.697,473 23.25,474 0.705,475 25.495,476 0.773,477 35.133,478 0.627,479 35.96,480 1.09,481 9.213,482 0.279,483 6.994,484 0.212,485 0.055,487 0.314,493 0.803,494 1.468,495 0.71,496 1.171,497 0.608,498 0.959,499 0.98,500 1.143,501 0.855,502 0.965,503 0.653,504 0.903,505 1.089,506 1.031,507 0.943,508 0.886,509 0.954,510 0.887,511 0.912,512 1.1,513 0.927,514 1.006,515 0.913,516 0.96,517 1.242,518 1.068,519 1.021,520 0.909,521 1.529,522 0.91,523 1.27,524 1.066,525 1.162,526 0.983,527 1.209,528 1.023,529 1.005,530 1.027,531 1.267,532 1.134,533 0.817,534 1.217,535 0.405,536 0.993,537 1.019,538 1.342,539 0.47,540 1.32,541 5.5,542 0.162,543 3.111,544 1.819,545 1.569,546 1.379,547 0.765,548 0.25,549 0.296,550 0.237,551 16940,552 47081,553 2.168,554 41.1,556 16,558 2,559 2,561 3,564 1.751,565 2.084,566 3.637,567 0.282,569 1,573 92.533,574 1.652,575 3.894,576 4.726,577 5.102,578 5.187,579 5.187,580 3.044,581 4.56,582 5.012,583 3.857,584 2036.47,585 8.774,586 30980.4,588 1,591 325.212,592 1.182,593 4.999,594 0.149,595 0.007,596 0.061,597 0.035,598 0.031,599 0.028,600 0.016,601 0.006,602 0.009,603 0.009,604 0.35,605 0.33,606 0.75,607 0.551,608 176.342,609 0.001,610 -0.235,611 0.073,612 -0.13,613 -0.01,614 -0.036,615 0.056,616 -0.025,617 0.043,618 0.012,619 0.077,620 0.014,621 -0.061,622 0.008,623 0.017,624 0.07,625 -0.034,626 0.055,627 -0.027,628 -0.052,629 0.024,630 -0.053,631 0.022,632 -0.008,633 -0.153,634 -0.02,635 -0.063,636 0.039,637 -0.124,638 0.017,639 -0.24,640 0.036,641 -0.24,642 -0.04,643 -0.169,644 -0.116,645 -0.138,646 0.052,647 -0.36,648 -0.146,649 -0.132,650 -0.263,651 0.235,652 -0.076,653 -0.059,654 -0.257,655 0.151,656 -0.229,657 2.013,658 5.237,659 0.818,660 38.606,661 1.014,662 1.139,663 2.67,664 7.129,665 0.666,666 3.638,667 3.951,668 4.248,669 4.543,670 4.796,671 4.913,672 5.112,673 5.263,674 5.352,675 5.468,676 7.811,677 0.648,678 445.54,679 3.638,680 5.176,681 6.033,682 6.913,683 7.789,684 8.678,685 9.565,686 10.461,687 11.354,688 12.255,689 16.1,695 1,696 2,697 1,699 5,703 2,704 8,705 5,709 5,710 1,711 22,726 1,731 56,733 23,734 1,735 37,737 60,738 22,739 15,740 2,741 4,746 5,747 6,751 1,752 1,761 16,762 6,766 1,771 1,775 1,778 1,781 23,782 10,783 2,784 11,790 9,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 33,854 5,855 2,856 1,859 1,867 1,870 3.6,873 1,874 1,877 15.833,878 10.4,879 7.306,880 3.454,881 4.014,882 1.488,883 1.008,884 6.22,885 12.241,886 3.912,887 4.514,888 5.126,889 5.759,890 6.32,891 6.679,892 7.172,893 7.624,894 7.935,895 8.337,896 0.889,897 52,898 12.153,900 5.159,901 7.722,902 23.122,904 18.744,905 2.222,906 73.333,910 247.193,911 120.77,912 124.482,914 36.145,917 120.77,918 283.338,919 124.482,920 8.825,921 51.523,922 56.857,923 144.962,924 36.167,925 6.604,926 223.651,928 247.193,929 245.252,930 36.145,933 214.208,934 60.458,935 11,937 84.079,938 75.285,939 83.56,941 247.193,942 160.627,943 120.77,946 247.193,947 36.992,948 88.678,949 36.022,950 119.705,951 247.193,952 160.627,953 120.77,955 0.573,956 0.338,957 0.191,958 0.106,959 25,960 10,961 0.083,962 5,963 1,964 1.074,965 4.496,966 310.608,967 0.074,968 27,969 158.465,974 21.407,975 9.589,976 4.687,977 1.384,978 158.851,979 14.143,980 22.109,984 3.428,985 1.767,986 36.022,987 528.59,988 49,993 12.237,997 -0.346,999 56.756,1000 63.81,1001 0.285,1002 0.671,1003 0.814,1004 0.879,1005 0.893,1006 0.893,1007 5.139,1008 1.516,1009 5.999,1010 5.114,1011 4.635,1012 5.201,1013 2.109,1014 6.804,1015 4.531,1016 6.332,1017 1.486,1018 7.545,1019 4.257,1020 4.111,1021 4.945,1022 1.305,1023 7.678,1024 3.967,1025 7.632,1026 1.374,1027 9.192,1028 3.863,1029 6.213,1030 7.413,1031 2.545,1032 10.808,1033 6.007,1034 8.971,1035 1.164,1036 10.903,1037 2.995,1038 6.553,1039 8.048,1040 2.354,1041 12.56,1042 6.3,1043 10.345,1044 1,1045 12.656,1046 2.899,1047 8.08,1048 9.958,1049 3.285,1050 15.198,1051 7.772,1052 11.745,1053 1,1054 14.438,1055 2.275,1056 8.832,1057 11.031,1058 3.414,1059 17.322,1060 8.469,1061 13.166,1062 1,1063 16.243,1064 2.136,1065 10.121,1066 12.709,1067 4.168,1068 19.802,1069 9.705,1070 3.254,1071 0.843,1072 18.064,1073 2.136,1074 11.077,1075 14.008,1076 4.466,1077 22.091,1078 10.602,1079 2.801,1080 11.391,1081 19.9,1082 2.053,1083 12.271,1084 15.587,1085 5.115,1086 24.523,1087 11.741,1088 2.671,1089 8.946,1090 21.746,1091 4.627,1092 13.329,1093 17.002,1094 5.504,1095 26.885,1096 12.737,1097 2.643,1098 8.804,1099 23.602,1100 3.792,1101 14.49,1102 18.543,1103 6.092,1104 29.307,1105 13.841,1106 2.401,1107 7.635,1108 25.466,1109 3.479,1110 15.598,1111 20.015,1112 6.531,1113 31.704,1114 14.888,1115 2.005,1116 6.925,1117 27.337,1118 3.303,1119 16.752,1120 21.544,1121 7.084,1122 34.126,1123 15.982,1124 1.936,1125 5.793,1126 29.214,1127 3.138,1128 17.888,1129 23.044,1130 7.551,1131 36.54,1132 17.055,1133 15689,1134 26338,1135 25.542,1136 37.29,1137 55.084,1138 56.155,1139 56.034,1140 54.953,1141 54.964,1142 72.413,1143 7.126,1144 155.862,1145 52.141,1146 5.673,1147 5.562,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 10.973,1156 1.489,1157 1.518,1158 1.514,1159 1.485,1160 1.486,1161 1.957,1162 0.193,1163 4.212,1164 1.409,1165 4.109,1166 4.167,1167 4.093,1168 3.94,1169 7.431,1170 3.966,1171 3.906,1172 3.951,1173 3.856,1174 3.767,1175 5.22,1176 3.787,1177 3.845,1178 3.886,1179 3.786,1180 3.737,1181 4.909,1182 3.745,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.785,1188 3.519,1189 3.47,1190 3.538,1191 3.4,1192 3.259,1193 4.628,1194 3.266,1195 3.381,1196 3.438,1197 3.266,1198 3.123,1199 4.511,1200 3.162,1201 3.111,1202 3.206,1203 3.007,1204 2.941,1205 4.091,1206 2.91,1207 3.099,1208 3.18,1209 2.866,1210 2.877,1211 4.031,1212 2.903,1213 0.126,1214 0.096,1215 0.185,1216 0.113,1217 0.088,1218 4.673,1219 0.125,1220 3.562,1221 0.045,1222 6.84,1223 0.308,1224 4.197,1225 0.083,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.947,1232 1.916,1233 2.028,1234 2.088,1235 1.217,1236 2.067,1237 1.824,1238 1.782,1239 1.939,1240 1.992,1241 1.11,1242 1.978,1243 1.782,1244 1.738,1245 1.925,1246 1.941,1247 1.042,1248 1.941,1249 1.633,1250 1.568,1251 1.86,1252 1.884,1253 0.944,1254 1.874,1255 1.474,1256 1.402,1257 1.643,1258 1.719,1259 0.825,1260 1.701,1261 1.253,1262 1.208,1263 1.513,1264 1.555,1265 0.748,1266 1.507,1267 1.153,1268 1.064,1269 1.381,1270 1.376,1271 0.349,1272 1.429,1273 0.979,1274 0.908,1275 1.181,1276 1.344,1277 0.258,1278 1.305,1279 4.317,1281 5.631,1282 2.398,1283 7.146,1284 4.727,1285 8.75,1286 6.843,1287 10.404,1289 2.001,1295 3.414,1296 5.552,1297 5.487,1300 2.157,1305 36.31,1306 92.533,1307 218.087,1308 264.683,1309 285.702,1310 290.457,1311 290.457,1312 46.94,1313 8.228,1314 122.98,1315 122.98,1316 29,1317 12.778,1318 4.585,1319 3.7,1320 47.973,1321 153,1322 171,1323 0.15,1324 221.775,1325 371.3,1326 532.89,1327 46926,1329 22.623,1330 0.686,1331 0.549,1332 22.623,1333 18.101,1334 16.208,1335 0.438,1336 0.29,1337 10.52,1338 15.348,1339 10.356,1340 8.544,1341 16.208,1342 10.734,1343 14.228,1344 0.279,1345 0.146,1346 14.228,1347 7.446,1348 12.26,1349 0.178,1350 0.076,1351 12.26,1352 5.275,1353 10.602,1354 0.114,1355 0.039,1356 10.602,1357 3.613,1358 8.664,1359 0.072,1360 0.02,1361 8.664,1362 2.412,1363 0.239,1364 103.015,1365 0.198,1366 30.955,1367 0.401,1368 176,1369 553.653,1370 199.354,1371 530.932,1372 737.55,1373 500,1374 208,1375 561.154,1376 232.94,1377 560.12,1378 822.21,1379 528,1380 8.022}
{0 CHEMBL589142,1 1.498,2 13.194,3 2.931,4 8.59,5 139.475,6 7.127,7 0.537,8 4.328,9 4.453,10 3.876,11 3.844,12 5.335,13 3.826,14 4.911,15 5.097,16 4.23,17 4.263,18 5.856,19 4.221,20 5.172,21 5.399,22 4.297,23 4.429,24 6.047,25 4.343,26 5.255,27 5.512,28 4.275,29 4.441,30 6.097,31 4.338,32 5.224,33 5.473,34 4.312,35 4.435,36 6.104,37 4.35,38 5.206,39 5.436,40 4.315,41 4.443,42 6.146,43 4.365,44 5.198,45 5.423,46 4.253,47 4.453,48 6.054,49 4.351,50 5.255,51 5.503,52 4.187,53 4.465,54 6.058,55 4.336,56 0.037,57 1.05,58 14.993,59 6.053,60 9.567,61 8.356,62 0.383,63 1.752,64 29.459,65 9.966,66 28.745,67 14.117,68 0.426,69 2.157,70 39.304,71 13.566,72 39.55,73 19.929,74 0.464,75 2.277,76 43.889,77 14.478,78 43.693,79 21.8,80 0.416,81 2.244,82 42.234,83 13.384,84 46.63,85 20.471,86 0.637,87 2.262,88 41.064,89 12.385,90 58.219,91 18.833,92 0.398,93 2.189,94 40.08,95 13.935,96 38.54,97 20.553,98 0.501,99 2.209,100 43.526,101 15.583,102 41.935,103 22.761,104 3,105 57,106 0.234,107 0.555,108 0.738,109 0.813,110 0.833,111 0.833,112 3.616,113 0.938,114 -5.24,115 -5.13,116 -4.8,119 41.2,121 2,125 8,127 1,142 9,143 3,146 1,147 1,149 1,160 1,161 1,172 12,174 4,175 7,180 1,183 13,186 4,187 6,192 2,195 6,198 4,199 12,204 2,207 2,211 1,212 8,217 1,220 4,223 3,224 11,227 2,232 6,236 2,237 7,245 6,249 2,250 8,253 2,258 4,263 11,266 1,271 2,275 2654,276 25.317,277 25.317,278 25.317,279 25.317,280 25.317,281 22.832,282 31.723,283 15.127,284 25.967,285 20.262,286 20.262,287 20.262,288 20.262,289 20.262,290 16.429,291 43.484,292 7.185,293 21.343,294 4.59,295 2.54,296 1.372,297 0.893,298 0.765,299 0.765,300 4.339,305 1,306 1063,307 2.739,310 80.476,311 541.201,314 145.986,318 2.028,319 26.675,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 77,331 475,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.08,341 4.2,342 3.077,343 6.33,344 3.832,345 2.874,346 3.821,347 0.86,348 9.6,349 2.776,350 3.997,351 2.949,352 6.131,353 3.736,354 2.779,355 3.457,356 0.8,357 9.04,358 2.647,359 3.929,360 2.909,361 5.637,362 3.604,363 2.649,364 3.357,365 0.765,366 7.742,367 2.539,368 3.649,369 2.594,370 5.517,371 3.336,372 2.377,373 3.032,374 0.172,375 7.132,376 2.267,377 3.521,378 2.468,379 5.281,380 3.262,381 2.291,382 2.605,384 6.687,385 2.215,386 3.256,387 2.354,388 5.044,389 3.032,390 2.094,391 2.345,393 6.051,394 1.957,395 2.974,396 2.12,397 4.745,398 2.652,399 1.734,400 2.178,402 4.819,403 1.589,404 2.937,405 1.615,406 4.385,407 2.472,408 1.518,409 2.044,411 4.172,412 1.445,413 2.818,414 1.576,415 4.082,416 2.414,417 1.427,418 1.913,420 3.225,421 1.405,422 2.659,423 1.487,424 3.76,425 2.17,426 1.26,427 1.727,428 2.993,429 1.154,430 2.5,431 1.256,432 3.587,433 2.127,434 1.185,435 1.5,436 2.901,437 1.098,438 2.489,439 1.22,440 3.487,441 2,442 1.038,443 1.484,445 2.546,446 1,447 2.381,448 1.077,449 3.414,450 1.984,451 1,452 1.369,454 2.275,455 0.983,456 2.004,457 1.061,458 3.414,459 1.979,460 1,461 1,463 2.136,464 0.973,465 17.067,466 0.474,467 0.65,468 0.018,469 45.5,470 1.264,471 20.5,472 0.569,473 25,474 0.694,475 34.186,476 0.95,477 38.733,478 0.57,479 35.389,480 0.983,481 8.836,482 0.245,483 8.944,484 0.248,485 0.02,487 0.305,493 0.926,494 1.506,495 0.812,496 1.174,497 0.876,498 1.01,499 1.274,500 1.052,501 1.009,502 0.925,503 0.95,504 0.929,505 0.871,506 1.142,507 0.975,508 1.045,509 0.595,510 1.025,511 0.808,512 1.03,513 0.923,514 0.955,515 0.852,516 0.946,517 0.914,518 1.112,519 0.92,520 0.93,521 0.903,522 0.911,523 1.102,524 0.999,525 1.145,526 0.945,527 0.945,528 1.011,529 0.869,530 1.167,531 1.111,532 1.159,533 0.753,534 1.155,535 0.766,536 0.947,537 1.056,538 1.064,539 0.702,540 1.088,541 5.5,542 0.164,543 3.333,544 1.722,545 1.716,546 1.282,547 0.893,548 0.536,549 0.34,550 0.27,551 20606,552 46652,553 2.221,554 47.1,556 26,558 1,559 1,562 4,564 1.778,565 2.16,566 3.633,567 -0.383,573 101.832,574 1.498,575 3.547,576 4.716,577 5.194,578 5.323,579 5.323,580 3.084,581 4.705,582 5.134,583 3.831,584 2413.6,585 9.052,586 37918.3,591 413.947,592 1.056,593 5.134,594 0.134,595 0.005,596 0.058,597 0.029,598 0.03,599 0.021,600 0.015,601 0.01,602 0.007,603 0.006,604 0.316,605 0.17,606 0.75,607 0.431,608 195.302,609 -0.022,610 -0.297,611 0.082,612 -0.096,613 -0.026,614 -0.013,615 -0.091,616 0.096,617 -0.042,618 0.058,619 -0.062,620 0.017,621 0.032,622 -0.082,623 -0.013,624 -0.057,625 0.09,626 -0.048,627 0.032,628 -0.006,629 0.055,630 0.008,631 -0.003,632 0.029,633 -0.029,634 -0.06,635 0.059,636 0.026,637 -0.046,638 0.053,639 -0.054,640 0.127,641 -0.162,642 -0.015,643 -0.054,644 -0.083,645 -0.022,646 -0.1,647 -0.159,648 -0.166,649 -0.065,650 -0.175,651 0.042,652 0.057,653 -0.094,654 -0.066,655 0.009,656 -0.09,657 1.508,658 3.654,659 0.917,660 44.898,661 0.996,662 1.13,663 4.013,664 16.107,665 0.659,666 3.738,667 4.06,668 4.382,669 4.691,670 4.984,671 5.124,672 5.375,673 5.587,674 5.759,675 5.914,676 7.668,677 0.624,678 484.66,679 3.738,680 5.283,681 6.151,682 7.036,683 7.923,684 8.819,685 9.716,686 10.621,687 11.525,688 12.435,689 8.8,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 68,733 22,734 2,735 41,737 73,738 28,739 17,740 3,741 9,746 6,747 7,752 1,755 3,758 3,761 17,762 11,781 32,782 7,783 1,784 8,787 1,790 6,794 0.833,795 2,796 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,848 36,853 1,854 10,856 1,858 1,859 2,870 2.9,871 1,874 1,877 16.667,878 11.983,879 7.917,880 4.254,881 3.772,882 1.431,883 0.998,884 6.864,885 12.524,886 3.97,887 4.557,888 5.178,889 5.802,890 6.374,891 6.749,892 7.264,893 7.733,894 8.096,895 8.483,896 0.889,897 59,898 13.358,900 5.735,901 7.514,902 26.32,904 22.377,905 2.014,906 72.5,910 364.904,911 136.759,912 58.504,914 53.683,917 136.759,918 418.587,919 58.504,921 24.782,922 127.97,923 83.461,924 22.177,925 2.328,926 353.133,928 364.904,929 195.263,930 53.683,933 320.148,934 47.084,935 53.683,937 42.284,938 100.295,939 50.357,941 364.904,942 112.188,943 136.759,946 364.904,947 42.854,948 102.053,950 104.04,951 364.904,952 112.188,953 136.759,955 0.574,956 0.341,957 0.192,958 0.109,959 29,960 11,961 0.082,962 6,963 1,964 1.061,965 4.702,966 365.852,967 0.061,968 33,969 174.117,974 23.414,975 10.554,976 4.996,977 1.739,978 110.288,979 20.481,980 14.842,984 4.656,985 2.264,986 42.683,987 613.851,988 52,999 67.752,1000 76.806,1001 0.246,1002 0.583,1003 0.775,1004 0.853,1005 0.874,1006 0.874,1007 5.212,1008 1.734,1009 6.116,1010 6.051,1011 4.745,1012 5.244,1013 1.81,1014 6.932,1015 4.644,1016 6.389,1017 1.518,1018 7.667,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.825,1024 4.052,1025 7.684,1026 1.427,1027 9.321,1028 4.172,1029 6.333,1030 7.43,1031 1.434,1032 10.968,1033 6.134,1034 9.016,1035 1.26,1036 11.039,1037 3.225,1038 6.673,1039 8.055,1040 0.581,1041 12.741,1042 6.41,1043 10.388,1044 1.185,1045 12.799,1046 2.993,1047 8.214,1048 9.97,1049 1.158,1050 15.391,1051 7.908,1052 11.787,1053 1.038,1054 14.589,1055 2.901,1056 8.971,1057 11.047,1058 0.515,1059 17.532,1060 8.594,1061 13.209,1062 1,1063 16.401,1064 2.546,1065 10.269,1066 12.726,1067 0.936,1068 20.025,1069 9.846,1070 3.289,1071 1,1072 18.23,1073 2.275,1074 11.232,1075 14.031,1076 0.441,1077 22.329,1078 10.736,1079 2.874,1080 11.617,1081 20.073,1082 2.136,1083 12.434,1084 15.612,1085 0.756,1086 24.775,1087 11.884,1088 2.779,1089 9.6,1090 21.927,1091 4.638,1092 13.499,1093 17.031,1094 0.373,1095 27.152,1096 12.876,1097 2.649,1098 9.04,1099 23.79,1100 3.821,1101 14.668,1102 18.574,1103 0.609,1104 29.588,1105 13.984,1106 2.377,1107 7.742,1108 25.661,1109 3.457,1110 15.784,1111 20.05,1112 0.314,1113 32,1114 15.028,1115 2.291,1116 7.132,1117 27.538,1118 3.357,1119 16.946,1120 21.58,1121 0.49,1122 34.437,1123 16.125,1124 2.094,1125 6.687,1126 29.422,1127 3.032,1128 18.089,1129 23.084,1130 0.264,1131 36.866,1132 17.196,1133 18831,1134 28498,1135 28.72,1136 44.841,1137 61.524,1138 62.056,1139 62.079,1140 61.416,1141 61.417,1142 77.843,1143 7.027,1144 175.525,1145 58.295,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.08,1155 8.454,1156 1.501,1157 1.514,1158 1.514,1159 1.498,1160 1.498,1161 1.899,1162 0.171,1163 4.281,1164 1.422,1165 4.142,1166 4.194,1167 4.117,1168 3.984,1169 6.457,1170 4.008,1171 3.931,1172 3.972,1173 3.855,1174 3.856,1175 5.139,1176 3.851,1177 3.896,1178 3.927,1179 3.835,1180 3.812,1181 4.755,1182 3.816,1183 3.782,1184 3.838,1185 3.675,1186 3.62,1187 4.713,1188 3.624,1189 3.69,1190 3.749,1191 3.574,1192 3.481,1193 4.618,1194 3.497,1195 3.337,1196 3.398,1197 3.261,1198 3.136,1199 4.432,1200 3.156,1201 3.217,1202 3.276,1203 3.079,1204 3.04,1205 4.265,1206 3.037,1207 3.113,1208 3.206,1209 2.981,1210 2.941,1211 4.021,1212 2.931,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.225,1225 0.075,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.08,1231 1.962,1232 1.931,1233 2.085,1234 2.108,1235 1.432,1236 2.097,1237 1.927,1238 1.892,1239 2.042,1240 2.047,1241 1.216,1242 2.048,1243 1.835,1244 1.789,1245 1.994,1246 1.96,1247 1.154,1248 1.971,1249 1.761,1250 1.709,1251 1.93,1252 1.951,1253 1.14,1254 1.954,1255 1.57,1256 1.519,1257 1.689,1258 1.781,1259 0.849,1260 1.763,1261 1.349,1262 1.274,1263 1.53,1264 1.613,1265 0.825,1266 1.589,1267 1.195,1268 1.147,1269 1.513,1270 1.451,1271 0.825,1272 1.45,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.714,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.268,1284 4.727,1285 8.885,1286 6.862,1287 10.551,1294 9.654,1295 8.134,1297 5.588,1299 0.353,1300 4.789,1305 42.406,1306 101.832,1307 241.205,1308 320.663,1309 353.193,1310 361.947,1311 361.947,1312 50.337,1313 8.752,1314 79.54,1315 79.54,1316 35,1317 12.952,1318 4.524,1319 3.585,1320 48.862,1321 159,1322 199,1323 0.144,1324 254.48,1325 432.38,1326 612.691,1327 83807,1329 24.321,1330 0.676,1331 0.568,1332 24.321,1333 20.461,1334 17.78,1335 0.434,1336 0.313,1337 12.628,1338 17.083,1339 12.411,1340 10.169,1341 17.78,1342 12.82,1343 15.584,1344 0.273,1345 0.169,1346 15.584,1347 9.646,1348 13.844,1349 0.175,1350 0.092,1351 13.844,1352 7.281,1353 11.934,1354 0.111,1355 0.049,1356 11.934,1357 5.3,1358 10.199,1359 0.07,1360 0.027,1361 10.199,1362 3.844,1363 0.226,1364 111.384,1365 0.187,1366 32.848,1367 0.399,1368 196,1369 503.756,1370 213.612,1371 485.838,1372 681.83,1373 462,1374 234,1375 508.701,1376 254.361,1377 516.103,1378 766.55,1379 487,1380 7.274}
{0 CHEMBL589258,1 1.619,2 18.048,3 2.344,4 5.492,5 158.796,6 7.51,7 0.468,8 4.449,9 4.582,10 4.03,11 3.907,12 5.531,13 3.912,14 5.014,15 5.21,16 4.394,17 4.305,18 6.066,19 4.291,20 5.248,21 5.469,22 4.46,23 4.467,24 6.281,25 4.422,26 5.312,27 5.549,28 4.426,29 4.463,30 6.38,31 4.401,32 5.259,33 5.494,34 4.389,35 4.414,36 6.338,37 4.366,38 5.168,39 5.375,40 4.366,41 4.414,42 6.232,43 4.361,44 5.206,45 5.433,46 4.265,47 4.409,48 6.204,49 4.326,50 5.18,51 5.422,52 4.136,53 4.353,54 6.229,55 4.222,56 0.119,57 1.24,58 15.726,59 6.043,60 10.167,61 8.489,62 0.641,63 1.937,64 31.782,65 9.631,66 37.195,67 14.264,68 0.714,69 2.288,70 41.752,71 12.713,72 54.946,73 18.909,74 0.705,75 2.307,76 45.783,77 13.832,78 80.668,79 20.745,80 0.812,81 2.171,82 44.054,83 12.312,84 89.057,85 18.666,86 0.657,87 2.145,88 37.54,89 11.671,90 58.001,91 17.247,92 0.698,93 2.11,94 40.265,95 12.539,96 59.39,97 18.77,98 0.716,99 1.95,100 39.85,101 14.523,102 90.75,103 21.198,104 18,105 66,106 0.247,107 0.564,108 0.703,109 0.782,110 0.798,111 0.81,112 3.764,113 0.905,114 -4.24,115 -4.18,116 -3.95,119 38.2,120 1,124 1,125 9,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 8,174 5,175 5,178 2,179 1,180 4,183 8,186 6,187 9,192 4,195 4,198 5,199 16,204 6,211 2,212 11,217 4,223 1,224 14,227 4,229 2,232 5,236 3,237 7,245 10,249 4,250 2,253 6,258 10,263 3,266 3,271 4,275 3798,276 28.833,277 28.833,278 28.833,279 28.833,280 28.833,281 26.13,282 37.485,283 16.904,284 29.645,285 23.146,286 23.146,287 23.146,288 23.146,289 23.146,290 18.813,291 49.105,292 7.982,293 24.372,294 4.629,295 2.549,296 1.642,297 1.125,298 1.02,299 0.941,300 4.479,306 1685,307 3.873,310 118.365,311 739.725,314 206.858,318 2.855,319 41.589,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 92,331 758,332 4.673,333 3.695,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.267,342 3.562,343 6.393,344 3.965,345 2.984,346 3.805,347 1.2,348 9.676,349 2.928,350 4.171,351 3.348,352 6.11,353 3.776,354 2.8,355 3.787,356 0.86,357 8.946,358 2.731,359 3.932,360 2.906,361 6.095,362 3.602,363 2.671,364 3.315,365 0.8,366 8.804,367 2.529,368 3.889,369 2.796,370 5.578,371 3.589,372 2.638,373 3.223,374 0.8,375 7.651,376 2.456,377 3.742,378 2.773,379 5.381,380 3.412,381 2.459,382 3.108,383 0.293,384 7.022,385 2.342,386 3.491,387 2.568,388 5.223,389 3.271,390 2.32,391 2.659,392 0.247,393 6.492,394 2.198,395 3.339,396 2.419,397 5.12,398 2.974,399 2.016,400 2.461,402 5.793,403 1.931,404 3.183,405 2.318,406 4.917,407 2.908,408 1.969,409 2.279,411 5.621,412 1.839,413 3.044,414 2.157,415 4.65,416 2.746,417 1.778,418 2.172,420 4.986,421 1.705,422 2.95,423 1.908,424 4.411,425 2.439,426 1.509,427 2.092,428 4.239,429 1.408,430 2.745,431 1.863,432 4.35,433 2.392,434 1.467,435 1.819,436 3.862,437 1.341,438 2.5,439 1.535,440 3.762,441 2.08,442 1.165,443 1.5,445 2.906,446 1.06,447 2.5,448 1.32,449 3.676,450 2,451 1,452 1.5,454 2.275,455 1,456 2.473,457 1.256,458 3.43,459 2,460 1,461 1.466,463 2.275,464 1,465 19.5,466 0.464,467 0.951,468 0.023,469 54,470 1.286,471 24.5,472 0.583,473 29.5,474 0.702,475 38.309,476 0.912,477 45.9,478 0.604,479 47.267,480 1.125,481 10.77,482 0.256,483 9.709,484 0.231,485 0.085,487 0.338,493 0.77,494 1.563,495 0.757,496 1.236,497 0.561,498 1.027,499 0.967,500 1.081,501 0.875,502 0.896,503 0.576,504 0.866,505 1.03,506 1.065,507 0.971,508 0.983,509 0.855,510 0.965,511 1.02,512 1.087,513 0.959,514 1.043,515 1.244,516 0.997,517 1.261,518 0.997,519 0.98,520 0.853,521 1.555,522 0.861,523 1.047,524 1.111,525 1.119,526 1.092,527 0.999,528 1.105,529 0.995,530 1.042,531 1.148,532 1.085,533 0.923,534 1.126,535 0.419,536 1.007,537 1.002,538 1.269,539 0.464,540 1.253,541 8,542 0.248,543 4.889,544 2.632,545 2.222,546 1.74,547 1.048,548 0.479,549 0.419,550 0.378,551 36400,552 91592,553 2.143,554 44.7,556 29,559 2,561 3,564 1.805,565 2.032,566 4.046,567 0.196,573 123.013,574 1.619,575 3.699,576 4.606,577 5.123,578 5.228,579 5.307,580 3.481,581 4.833,582 5.364,583 4.294,584 3697.13,585 9.445,586 71090.2,591 474.842,592 1.313,593 5.336,594 0.17,595 0.007,596 0.074,597 0.038,598 0.034,599 0.027,600 0.017,601 0.009,602 0.009,603 0.01,604 0.395,605 0.17,606 0.63,607 0.58,608 246.212,609 0.014,610 -0.283,611 0.08,612 -0.142,613 -0.004,614 -0.041,615 0.046,616 0.071,617 0.061,618 0.09,619 0.08,620 0.077,621 -0.054,622 0.008,623 -0.014,624 0.007,625 0.007,626 0.003,627 -0.041,628 -0.077,629 0.019,630 -0.055,631 -0.031,632 -0.015,633 -0.147,634 0.011,635 0.016,636 0.116,637 -0.145,638 0.102,639 -0.097,640 0.003,641 -0.182,642 -0.094,643 -0.085,644 -0.142,645 -0.097,646 0.01,647 -0.197,648 -0.081,649 -0.099,650 -0.141,651 0.301,652 -0.032,653 -0.058,654 -0.208,655 0.257,656 -0.204,657 2.05,658 5.777,659 0.786,660 61.014,661 1.008,662 1.139,663 3.01,664 9.059,665 0.652,666 3.871,667 4.205,668 4.5,669 4.771,670 5.03,671 5.147,672 5.328,673 5.46,674 5.541,675 5.666,676 10.376,677 0.627,678 570.73,679 3.871,680 5.425,681 6.286,682 7.168,683 8.045,684 8.933,685 9.817,686 10.71,687 11.599,688 12.495,689 13.2,692 1,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,719 1,726 1,731 76,733 24,734 2,735 47,737 81,738 29,739 16,740 4,741 8,742 1,746 6,747 7,751 1,752 1,761 18,762 11,766 2,771 2,775 2,781 34,782 12,783 2,784 13,790 10,794 0.833,795 3,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 2,848 42,854 9,855 2,856 1,859 3,867 1,870 3.9,873 2,874 1,877 20.667,878 14.267,879 9.194,880 4.741,881 4.298,882 1.475,883 0.999,884 8.513,885 13.355,886 4.111,887 4.694,888 5.288,889 5.884,890 6.439,891 6.816,892 7.288,893 7.71,894 8.003,895 8.4,896 0.917,897 69,898 15.577,900 6.677,901 7.706,902 29.859,904 24.606,905 2.206,906 92.667,910 376.675,911 146.337,912 113.946,914 61.29,917 146.337,918 437.965,919 113.946,920 17.222,921 63.071,922 75.81,923 134.484,924 24.382,925 6.604,926 376.675,928 376.675,929 260.282,930 61.29,933 343.69,934 85.603,935 11,937 80.656,938 110.524,939 66.775,941 376.675,942 175.235,943 146.337,946 376.675,947 53.305,948 104.181,949 36.022,950 128.064,951 376.675,952 175.235,953 146.337,955 0.582,956 0.344,957 0.186,958 0.104,959 32,960 14,961 0.074,962 6,963 1,964 1.061,965 5.265,966 425.667,967 0.061,968 33,969 210.477,974 28.346,975 12.613,976 6.362,977 1.357,978 173.459,979 14.328,980 18.229,984 3.933,985 1.763,986 36.022,987 698.247,988 60,993 25.459,997 -0.374,999 76.603,1000 86.594,1001 0.259,1002 0.592,1003 0.737,1004 0.82,1005 0.837,1006 0.849,1007 5.364,1008 2.016,1009 6.267,1010 6.492,1011 4.89,1012 5.382,1013 2.491,1014 7.079,1015 4.795,1016 6.554,1017 1.969,1018 7.825,1019 5.793,1020 4.443,1021 5.182,1022 1.494,1023 7.97,1024 4.305,1025 7.857,1026 1.778,1027 9.481,1028 5.621,1029 6.488,1030 7.562,1031 2.818,1032 11.076,1033 6.3,1034 9.195,1035 1.509,1036 11.196,1037 4.986,1038 6.868,1039 8.228,1040 2.464,1041 12.811,1042 6.642,1043 10.568,1044 1.467,1045 12.949,1046 4.239,1047 8.361,1048 10.084,1049 3.455,1050 15.436,1051 8.087,1052 11.965,1053 1.165,1054 14.73,1055 3.862,1056 9.127,1057 11.166,1058 3.475,1059 17.534,1060 8.812,1061 13.381,1062 1,1063 16.531,1064 2.906,1065 10.397,1066 12.812,1067 4.264,1068 20,1069 10.036,1070 3.254,1071 1,1072 18.347,1073 2.275,1074 11.353,1075 14.109,1076 4.501,1077 22.264,1078 10.946,1079 2.984,1080 11.391,1081 20.177,1082 2.275,1083 12.534,1084 15.669,1085 5.166,1086 24.681,1087 12.08,1088 2.8,1089 9.676,1090 22.017,1091 4.627,1092 13.583,1093 17.077,1094 5.524,1095 27.022,1096 13.081,1097 2.671,1098 8.946,1099 23.865,1100 3.805,1101 14.733,1102 18.605,1103 6.118,1104 29.429,1105 14.182,1106 2.638,1107 8.804,1108 25.722,1109 3.787,1110 15.83,1111 20.07,1112 6.542,1113 31.809,1114 15.227,1115 2.459,1116 7.651,1117 27.585,1118 3.315,1119 16.973,1120 21.59,1121 7.097,1122 34.219,1123 16.318,1124 2.32,1125 7.022,1126 29.453,1127 3.223,1128 18.097,1129 23.084,1130 7.557,1131 36.619,1132 17.388,1133 33391,1134 53237,1135 32.016,1136 49.557,1137 70.826,1138 72.489,1139 72.465,1140 70.417,1141 70.387,1142 89.05,1143 11.712,1144 202.903,1145 67.099,1146 5.673,1147 5.695,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 18.707,1156 1.507,1157 1.542,1158 1.542,1159 1.498,1160 1.498,1161 1.895,1162 0.249,1163 4.317,1164 1.428,1165 4.113,1166 4.17,1167 4.095,1168 3.947,1169 7.432,1170 3.972,1171 3.968,1172 4.007,1173 3.916,1174 3.862,1175 7.427,1176 3.869,1177 3.877,1178 3.917,1179 3.824,1180 3.762,1181 5.221,1182 3.778,1183 3.791,1184 3.856,1185 3.684,1186 3.599,1187 4.792,1188 3.61,1189 3.736,1190 3.799,1191 3.623,1192 3.499,1193 4.719,1194 3.519,1195 3.488,1196 3.548,1197 3.429,1198 3.263,1199 4.628,1200 3.279,1201 3.407,1202 3.469,1203 3.288,1204 3.174,1205 4.509,1206 3.203,1207 3.274,1208 3.346,1209 3.176,1210 3.021,1211 4.363,1212 3.05,1213 0.099,1214 0.079,1215 0.146,1216 0.089,1217 0.069,1218 4.673,1219 0.098,1220 3.695,1221 0.035,1222 6.84,1223 0.242,1224 4.197,1225 0.065,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.949,1232 1.918,1233 2.035,1234 2.089,1235 1.287,1236 2.068,1237 1.916,1238 1.889,1239 2.021,1240 2.054,1241 1.217,1242 2.046,1243 1.786,1244 1.741,1245 1.951,1246 1.974,1247 1.111,1248 1.968,1249 1.748,1250 1.676,1251 1.93,1252 1.936,1253 1.083,1254 1.941,1255 1.633,1256 1.569,1257 1.86,1258 1.884,1259 1.041,1260 1.874,1261 1.475,1262 1.402,1263 1.644,1264 1.721,1265 0.825,1266 1.702,1267 1.306,1268 1.261,1269 1.554,1270 1.594,1271 0.825,1272 1.561,1273 1.189,1274 1.114,1275 1.513,1276 1.484,1277 0.748,1278 1.482,1279 4.554,1281 5.883,1282 2.398,1283 7.408,1284 4.727,1285 9.017,1286 6.843,1287 10.671,1289 4.054,1295 6.505,1296 5.675,1297 5.515,1300 6.223,1305 47.68,1306 123.013,1307 281.152,1308 350.03,1309 389.333,1310 397.333,1311 403.333,1312 73.591,1313 9.057,1314 133.64,1315 133.64,1316 35,1317 13.022,1318 4.644,1319 3.807,1320 62.175,1321 268,1322 280,1323 0.111,1324 289.391,1325 497.19,1326 697.874,1327 144882,1329 29.053,1330 0.692,1331 0.566,1332 29.053,1333 23.785,1334 20.479,1335 0.436,1336 0.302,1337 13.909,1338 19.418,1339 13.635,1340 11.23,1341 20.479,1342 14.185,1343 18.384,1344 0.279,1345 0.157,1346 18.384,1347 10.377,1348 15.974,1349 0.179,1350 0.085,1351 15.974,1352 7.536,1353 13.325,1354 0.114,1355 0.043,1356 13.325,1357 5.064,1358 10.971,1359 0.072,1360 0.023,1361 10.971,1362 3.54,1363 0.183,1364 129.99,1365 0.177,1366 38.251,1367 0.283,1368 226,1369 679.033,1370 254.344,1371 648.83,1372 896.16,1373 610,1374 268,1375 674.256,1376 298.79,1377 674.827,1378 993.92,1379 635,1380 8.854}
{0 CHEMBL589345,1 1.634,2 13.441,3 2.199,4 4.836,5 126.633,6 7.789,7 0.579,8 4.206,9 4.337,10 3.818,11 3.673,12 5.336,13 3.686,14 4.739,15 4.923,16 4.177,17 4.048,18 5.844,19 4.045,20 4.959,21 5.178,22 4.216,23 4.169,24 6.019,25 4.14,26 4.987,27 5.229,28 4.205,29 4.161,30 6.057,31 4.123,32 4.938,33 5.155,34 4.184,35 4.139,36 6.077,37 4.117,38 4.892,39 5.09,40 4.18,41 4.154,42 5.984,43 4.129,44 4.933,45 5.142,46 4.095,47 4.2,48 5.961,49 4.138,50 4.995,51 5.225,52 3.938,53 4.227,54 5.95,55 4.086,56 0.12,57 0.982,58 11.416,59 4.563,60 10.458,61 6.169,62 0.482,63 1.506,64 22.714,65 7.383,66 33.71,67 10.433,68 0.637,69 1.755,70 30.451,71 8.834,72 47.091,73 13.005,74 0.544,75 1.769,76 32.075,77 9.181,78 49.839,79 14.076,80 0.646,81 1.691,82 29.811,83 7.979,84 66.761,85 11.879,86 0.529,87 1.691,88 26.925,89 7.939,90 42.998,91 11.474,92 0.605,93 1.716,94 28.388,95 8.768,96 43.554,97 12.725,98 0.421,99 1.682,100 31.244,101 12.778,102 51.016,103 18.084,104 11,105 53,106 0.262,107 0.626,108 0.765,109 0.808,110 0.821,111 0.821,112 3.561,113 0.878,114 -4.11,115 -4.06,116 -3.84,119 39,120 2,125 4,127 1,142 6,143 1,144 2,145 2,146 1,147 1,149 1,159 1,161 1,166 2,172 5,174 4,175 5,178 2,179 1,180 3,183 5,186 5,187 7,190 1,192 3,195 2,198 5,199 13,204 4,211 2,212 9,215 1,217 3,223 1,224 13,227 2,229 1,232 4,236 3,237 7,245 8,249 2,250 4,253 4,258 7,263 5,266 2,271 1,275 2212,276 23.292,277 23.292,278 23.292,279 23.292,280 23.292,281 20.652,282 28.502,283 13.897,284 23.94,285 18.814,286 18.814,287 18.814,288 18.814,289 18.814,290 14.741,291 38.192,292 6.656,293 19.847,294 4.249,295 1.981,296 1.115,297 0.852,298 0.771,299 0.771,300 4.27,304 1,305 1,306 1009,307 3.536,310 84.974,311 429.334,314 149.184,318 2.095,319 30.804,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 74.5,331 457,332 4.689,333 3.562,334 6.887,335 4.221,336 3.278,337 4.637,338 1.656,339 11.538,340 3.09,341 4.181,342 3.369,343 6.257,344 3.792,345 2.821,346 3.796,347 0.86,348 9.27,349 2.743,350 3.988,351 2.986,352 6.107,353 3.677,354 2.744,355 3.48,356 0.8,357 8.928,358 2.561,359 3.945,360 2.817,361 5.568,362 3.603,363 2.643,364 3.348,365 0.247,366 7.635,367 2.525,368 3.757,369 2.552,370 5.408,371 3.366,372 2.404,373 3.144,375 6.928,376 2.31,377 3.408,378 2.459,379 5.322,380 3.114,381 2.168,382 2.656,384 6.477,385 2.044,386 3.312,387 2.353,388 4.68,389 2.938,390 1.948,391 2.41,393 5.114,394 1.915,395 2.969,396 2.093,397 4.61,398 2.6,399 1.689,400 2.176,402 4.44,403 1.534,404 2.877,405 1.535,406 4.402,407 2.448,408 1.499,409 1.98,411 4.221,412 1.419,413 2.84,414 1.519,415 3.771,416 2.339,417 1.374,418 1.937,420 2.995,421 1.321,422 2.506,423 1.478,424 3.671,425 2.1,426 1.217,427 1.507,428 2.916,429 1.068,430 2.5,431 1.256,432 3.569,433 2.027,434 1.041,435 1.5,436 2.575,437 1.024,438 2.5,439 1.057,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.312,448 1,449 3.407,450 1.956,451 1,452 1.293,454 2.136,455 0.953,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.767,466 0.464,467 0.763,468 0.022,469 46.75,470 1.375,471 23,472 0.676,473 23.75,474 0.699,475 28.182,476 0.829,477 36.433,478 0.618,479 36.885,480 1.085,481 9.193,482 0.27,483 7.387,484 0.217,485 0.085,487 0.336,493 0.797,494 1.471,495 0.729,496 1.182,497 0.627,498 0.978,499 0.951,500 1.168,501 0.831,502 0.975,503 0.634,504 0.902,505 1.108,506 1.064,507 0.977,508 0.92,509 0.945,510 0.923,511 0.885,512 1.068,513 0.868,514 0.942,515 0.869,516 0.893,517 1.318,518 1.035,519 1.071,520 0.876,521 1.572,522 0.905,523 1.239,524 1.14,525 1.134,526 1.031,527 1.183,528 1.044,529 1.087,530 0.972,531 1.273,532 1.049,533 0.841,534 1.152,535 0.403,536 1.078,537 1.096,538 1.448,539 0.487,540 1.422,541 6,542 0.162,543 3.333,544 1.972,545 1.694,546 1.406,547 0.968,548 0.375,549 0.329,550 0.288,551 18011,552 48898,553 2.145,554 42.4,556 15,558 2,559 2,561 6,564 1.76,565 2.04,566 3.633,567 0.264,569 1,573 96.408,574 1.634,575 3.902,576 4.768,577 5.031,578 5.111,579 5.111,580 3.031,581 4.676,582 5.054,583 3.866,584 2168.74,585 8.865,586 33614.5,591 347.076,592 1.286,593 5.033,594 0.158,595 0.006,596 0.063,597 0.037,598 0.032,599 0.027,600 0.019,601 0.008,602 0.009,603 0.01,604 0.368,605 0.33,606 0.75,607 0.608,608 183.083,609 0.012,610 -0.227,611 0.074,612 -0.125,613 -0.019,614 -0.034,615 0.085,616 -0.046,617 0.079,618 0.013,619 0.102,620 0.031,621 -0.069,622 -0.008,623 -0.018,624 0.034,625 -0.039,626 0.016,627 0.002,628 -0.042,629 0.104,630 0.01,631 0.055,632 0.069,633 -0.192,634 0.033,635 -0.105,636 0.057,637 -0.159,638 0.01,639 -0.209,640 -0.02,641 -0.214,642 -0.075,643 -0.146,644 -0.129,645 -0.183,646 0.134,647 -0.36,648 -0.073,649 -0.145,650 -0.21,651 0.198,652 -0.113,653 -0.179,654 -0.347,655 0.107,656 -0.342,657 2.014,658 5.268,659 0.794,660 40.415,661 1.011,662 1.139,663 2.885,664 8.323,665 0.662,666 3.664,667 3.989,668 4.277,669 4.575,670 4.828,671 4.963,672 5.165,673 5.323,674 5.421,675 5.545,676 7.88,677 0.641,678 459.57,679 3.664,680 5.209,681 6.066,682 6.95,683 7.827,684 8.72,685 9.609,686 10.509,687 11.405,688 12.31,689 15.3,695 1,696 2,697 1,699 5,703 2,704 8,705 5,709 5,710 1,711 22,726 1,731 59,733 23,734 1,735 38,737 63,738 23,739 15,740 2,741 4,746 5,747 6,751 1,752 2,758 1,761 16,762 7,766 1,771 1,775 1,778 1,781 25,782 10,783 2,784 11,790 9,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 34,854 4,855 2,856 1,858 1,859 1,867 1,870 3.4,873 1,874 1,877 16.667,878 11.233,879 7.417,880 3.587,881 4.01,882 1.484,883 0.995,884 6.454,885 12.3,886 3.932,887 4.535,888 5.144,889 5.78,890 6.344,891 6.719,892 7.211,893 7.668,894 7.988,895 8.399,896 0.889,897 54,898 12.531,900 5.323,901 7.711,902 23.878,904 19.426,905 2.211,906 75.167,910 270.735,911 127.489,912 124.482,914 36.145,917 127.489,918 306.88,919 124.482,920 17.65,921 49.418,922 56.857,923 144.962,924 36.167,925 6.604,926 247.193,928 270.735,929 251.972,930 36.145,933 202.437,934 95.772,935 11,937 90.799,938 75.285,939 83.56,941 270.735,942 160.627,943 127.489,946 270.735,947 34.886,948 97.504,949 36.022,950 119.705,951 270.735,952 160.627,953 127.489,955 0.579,956 0.335,957 0.187,958 0.104,959 26,960 11,961 0.079,962 5,963 1,964 1.074,965 4.533,966 325.076,967 0.074,968 27,969 162.974,974 22.356,975 9.816,976 4.925,977 1.379,978 158.851,979 14.158,980 22.321,984 3.418,985 1.809,986 36.022,987 558.852,988 50,993 12.268,997 -0.347,999 59.64,1000 67.225,1001 0.278,1002 0.663,1003 0.81,1004 0.855,1005 0.869,1006 0.869,1007 5.168,1008 1.689,1009 6.043,1010 5.114,1011 4.673,1012 5.223,1013 2.109,1014 6.855,1015 4.571,1016 6.365,1017 1.499,1018 7.596,1019 4.44,1020 4.205,1021 4.987,1022 1.305,1023 7.753,1024 4.065,1025 7.667,1026 1.374,1027 9.252,1028 4.221,1029 6.26,1030 7.43,1031 2.545,1032 10.883,1033 6.056,1034 9.006,1035 1.217,1036 10.971,1037 2.995,1038 6.635,1039 8.074,1040 2.354,1041 12.653,1042 6.385,1043 10.382,1044 1.041,1045 12.731,1046 2.916,1047 8.141,1048 9.975,1049 3.285,1050 15.298,1051 7.833,1052 11.783,1053 1,1054 14.521,1055 2.575,1056 8.914,1057 11.054,1058 3.414,1059 17.436,1060 8.552,1061 13.205,1062 1,1063 16.332,1064 2.275,1065 10.196,1066 12.728,1067 4.168,1068 19.926,1069 9.779,1070 3.278,1071 1,1072 18.161,1073 2.136,1074 11.166,1075 14.031,1076 4.466,1077 22.227,1078 10.689,1079 2.821,1080 11.538,1081 20.003,1082 2.136,1083 12.359,1084 15.61,1085 5.115,1086 24.67,1087 11.827,1088 2.744,1089 9.27,1090 21.856,1091 4.637,1092 13.427,1093 17.027,1094 5.504,1095 27.043,1096 12.833,1097 2.643,1098 8.928,1099 23.718,1100 3.796,1101 14.591,1102 18.569,1103 6.092,1104 29.476,1105 13.939,1106 2.404,1107 7.635,1108 25.588,1109 3.48,1110 15.707,1111 20.044,1112 6.531,1113 31.884,1114 14.993,1115 2.168,1116 6.928,1117 27.465,1118 3.348,1119 16.866,1120 21.574,1121 7.084,1122 34.317,1123 16.093,1124 1.948,1125 6.477,1126 29.348,1127 3.144,1128 18.009,1129 23.076,1130 7.551,1131 36.742,1132 17.173,1133 16758,1134 27806,1135 25.948,1136 39.051,1137 57.4,1138 58.35,1139 58.118,1140 57.02,1141 57.054,1142 74.515,1143 7.126,1144 162.976,1145 54.201,1146 5.689,1147 5.562,1148 6.689,1149 5.324,1150 5.278,1151 7.637,1152 2.912,1153 19.027,1154 5.09,1155 13.643,1156 1.511,1157 1.536,1158 1.529,1159 1.501,1160 1.501,1161 1.961,1162 0.188,1163 4.289,1164 1.426,1165 4.115,1166 4.172,1167 4.099,1168 3.944,1169 7.431,1170 3.971,1171 3.908,1172 3.952,1173 3.858,1174 3.773,1175 5.221,1176 3.792,1177 3.847,1178 3.887,1179 3.788,1180 3.738,1181 4.909,1182 3.746,1183 3.744,1184 3.807,1185 3.631,1186 3.517,1187 4.785,1188 3.533,1189 3.537,1190 3.605,1191 3.426,1192 3.364,1193 4.628,1194 3.362,1195 3.406,1196 3.455,1197 3.327,1198 3.134,1199 4.513,1200 3.183,1201 3.117,1202 3.206,1203 3.055,1204 2.941,1205 4.162,1206 2.916,1207 3.111,1208 3.194,1209 2.866,1210 2.884,1211 4.039,1212 2.91,1213 0.123,1214 0.094,1215 0.181,1216 0.111,1217 0.086,1218 4.689,1219 0.122,1220 3.562,1221 0.044,1222 6.887,1223 0.304,1224 4.221,1225 0.081,1226 3.278,1227 4.637,1228 1.656,1229 11.538,1230 3.09,1231 1.948,1232 1.917,1233 2.029,1234 2.091,1235 1.22,1236 2.069,1237 1.825,1238 1.783,1239 1.946,1240 1.993,1241 1.142,1242 1.979,1243 1.788,1244 1.744,1245 1.929,1246 1.941,1247 1.096,1248 1.941,1249 1.678,1250 1.61,1251 1.913,1252 1.918,1253 0.944,1254 1.916,1255 1.523,1256 1.466,1257 1.654,1258 1.741,1259 0.825,1260 1.723,1261 1.253,1262 1.208,1263 1.513,1264 1.555,1265 0.763,1266 1.508,1267 1.153,1268 1.064,1269 1.417,1270 1.376,1271 0.469,1272 1.429,1273 0.983,1274 0.911,1275 1.381,1276 1.368,1277 0.348,1278 1.308,1279 4.344,1281 5.666,1282 2.398,1283 7.185,1284 4.727,1285 8.791,1286 6.862,1287 10.447,1289 4.086,1295 2.741,1296 5.562,1297 5.504,1299 0.107,1300 2.162,1305 37.837,1306 96.408,1307 230.208,1308 281.302,1309 296.811,1310 301.566,1311 301.566,1312 51.044,1313 8.29,1314 122.98,1315 122.98,1316 29,1317 12.831,1318 4.585,1319 3.7,1320 50.1,1321 158,1322 182,1323 0.151,1324 231.367,1325 388.6,1326 556.296,1327 50044,1329 23.493,1330 0.691,1331 0.558,1332 23.493,1333 18.972,1334 16.581,1335 0.436,1336 0.293,1337 10.911,1338 15.727,1339 10.675,1340 8.845,1341 16.581,1342 11.124,1343 14.968,1344 0.282,1345 0.154,1346 14.968,1347 8.168,1348 12.499,1349 0.176,1350 0.076,1351 12.499,1352 5.425,1353 10.851,1354 0.113,1355 0.039,1356 10.851,1357 3.721,1358 8.831,1359 0.071,1360 0.02,1361 8.831,1362 2.48,1363 0.24,1364 105.214,1365 0.196,1366 31.658,1367 0.406,1368 182,1369 559.653,1370 205.687,1371 537.901,1372 747.65,1373 506,1374 215,1375 570.507,1376 240.273,1377 570.533,1378 836.93,1379 537,1380 7.979}
{0 CHEMBL589412,1 1.61,2 17.925,3 3.509,4 12.313,5 151.723,6 7.448,7 0.5,8 4.396,9 4.53,10 3.961,11 3.866,12 5.495,13 3.864,14 4.941,15 5.131,16 4.306,17 4.242,18 6.023,19 4.216,20 5.177,21 5.409,22 4.367,23 4.361,24 6.219,25 4.316,26 5.18,27 5.412,28 4.354,29 4.347,30 6.283,31 4.302,32 5.157,33 5.382,34 4.326,35 4.333,36 6.261,37 4.295,38 5.119,39 5.328,40 4.316,41 4.349,42 6.21,43 4.302,44 5.134,45 5.349,46 4.225,47 4.371,48 6.163,49 4.291,50 5.168,51 5.411,52 4.097,53 4.346,54 6.224,55 4.204,56 0.117,57 1.163,58 15.161,59 5.949,60 10.812,61 8.262,62 0.537,63 1.786,64 29.473,65 9.759,66 39.337,67 14.142,68 0.664,69 2.082,70 39.969,71 11.782,72 60.728,73 17.833,74 0.62,75 2.087,76 39.832,77 11.495,78 70.893,79 17.497,80 0.658,81 2.013,82 39.165,83 10.862,84 79.083,85 16.475,86 0.683,87 2.018,88 36.456,89 10.857,90 64.457,91 16.05,92 0.635,93 2.006,94 36.972,95 11.843,96 56.951,97 17.445,98 0.67,99 1.918,100 39.473,101 14.918,102 93.707,103 21.59,104 25,105 60,106 0.248,107 0.584,108 0.731,109 0.803,110 0.819,111 0.832,112 3.717,113 0.925,114 -4.76,115 -4.67,116 -4.39,119 38.4,120 2,121 2,125 6,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 10,174 4,175 4,178 3,179 1,180 6,183 9,186 5,187 7,192 7,195 4,198 5,199 15,204 9,207 1,211 1,212 11,217 4,220 3,223 1,224 13,227 3,228 1,229 2,232 10,236 3,237 5,245 14,249 3,250 2,253 6,254 1,255 1,258 12,263 3,266 2,268 1,271 4,275 3348,276 27.601,277 27.601,278 27.601,279 27.601,280 27.601,281 24.873,282 32.86,283 16.59,284 28.244,285 21.661,286 21.661,287 21.661,288 21.661,289 21.661,290 17.3,291 41.384,292 7.8,293 22.628,294 4.58,295 2.395,296 1.445,297 0.98,298 0.87,299 0.788,300 4.423,306 1562,307 4.243,310 112.003,311 546.136,314 195.901,318 2.886,319 40.339,322 0.5,323 0.67,324 0.5,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 87.5,331 717,332 4.673,333 3.568,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.199,342 3.55,343 6.11,344 3.834,345 2.838,346 3.795,347 1.058,348 8.946,349 2.829,350 4.167,351 3.348,352 6.095,353 3.771,354 2.791,355 3.77,356 0.86,357 8.804,358 2.729,359 3.915,360 2.906,361 6.03,362 3.592,363 2.671,364 3.312,365 0.8,366 8.596,367 2.495,368 3.865,369 2.796,370 5.557,371 3.554,372 2.586,373 3.187,374 0.247,375 7.59,376 2.455,377 3.696,378 2.565,379 5.31,380 3.317,381 2.347,382 3.069,384 6.871,385 2.271,386 3.365,387 2.418,388 5.12,389 2.945,390 1.997,391 2.59,393 5.793,394 1.911,395 3.183,396 2.318,397 4.677,398 2.891,399 1.912,400 2.279,402 5.099,403 1.835,404 2.966,405 1.908,406 4.417,407 2.681,408 1.702,409 2.162,411 4.269,412 1.663,413 2.89,414 1.902,415 4.351,416 2.443,417 1.51,418 1.952,420 3.927,421 1.413,422 2.745,423 1.773,424 4.2,425 2.394,426 1.471,427 1.818,428 3.86,429 1.343,430 2.566,431 1.535,432 3.761,433 2.307,434 1.302,435 1.536,436 2.906,437 1.3,438 2.5,439 1.32,440 3.497,441 2.08,442 1.164,443 1.5,445 2.742,446 1.059,447 2.5,448 1.256,449 3.43,450 2,451 1,452 1.5,454 2.275,455 1,456 2.473,457 1.043,458 3.414,459 2,460 1,461 1.466,463 2.275,464 1,465 18.6,466 0.465,467 0.794,468 0.02,469 51.5,470 1.288,471 24.5,472 0.613,473 27,474 0.675,475 35.96,476 0.899,477 43.8,478 0.6,479 43.925,480 1.098,481 10.036,482 0.251,483 9.515,484 0.238,485 0.09,487 0.312,493 0.767,494 1.447,495 0.78,496 1.19,497 0.581,498 1.013,499 0.836,500 1.16,501 0.861,502 1.026,503 0.567,504 0.963,505 1.023,506 1.061,507 0.884,508 0.903,509 0.877,510 0.872,511 1.053,512 1.1,513 0.954,514 0.99,515 1.132,516 0.95,517 1.322,518 1.079,519 1.023,520 0.904,521 1.505,522 0.9,523 1.179,524 1.047,525 1.124,526 1.003,527 1.182,528 1.036,529 1.03,530 1.053,531 1.202,532 1.115,533 0.958,534 1.167,535 0.351,536 1.016,537 0.992,538 1.3,539 0.427,540 1.277,541 7,542 0.22,543 4.222,544 2.257,545 1.92,546 1.698,547 0.907,548 0.411,549 0.403,550 0.352,551 30257,552 77911,553 2.107,554 45.2,555 5,556 20,559 3,561 5,564 1.794,565 2,566 4.019,567 0.806,573 117.502,574 1.61,575 3.794,576 4.744,577 5.21,578 5.32,579 5.402,580 3.509,581 4.634,582 5.288,583 4.265,584 3326.93,585 9.304,586 61537.5,591 451.857,592 1.295,593 5.266,594 0.159,595 0.006,596 0.07,597 0.036,598 0.031,599 0.028,600 0.015,601 0.008,602 0.009,603 0.01,604 0.374,605 0.17,606 0.63,607 1.214,608 231.145,609 0.008,610 -0.171,611 0.063,612 -0.089,613 -0.016,614 -0.018,615 0.129,616 -0.022,617 0.067,618 -0.007,619 0.104,620 0.006,621 -0.027,622 -0.022,623 0.093,624 0.072,625 0.013,626 0.096,627 -0.057,628 -0.044,629 0.022,630 -0.029,631 -0.026,632 0.006,633 -0.196,634 -0.029,635 -0.037,636 0.056,637 -0.166,638 0.046,639 -0.128,640 0.063,641 -0.168,642 -0.027,643 -0.117,644 -0.09,645 -0.119,646 0.035,647 -0.263,648 -0.106,649 -0.126,650 -0.188,651 0.33,652 -0.05,653 -0.054,654 -0.23,655 0.272,656 -0.219,657 2.057,658 5.579,659 0.675,660 58.405,661 1.007,662 1.138,663 3.525,664 12.428,665 0.651,666 3.807,667 4.111,668 4.394,669 4.663,670 4.913,671 5.05,672 5.236,673 5.371,674 5.451,675 5.572,676 10.068,677 0.625,678 543.7,679 3.807,680 5.342,681 6.192,682 7.066,683 7.936,684 8.82,685 9.702,686 10.593,687 11.481,688 12.377,689 12.3,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,718 1,726 1,731 73,733 24,734 2,735 44,737 77,738 28,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 2,758 2,761 18,762 10,766 2,771 2,775 2,781 33,782 11,783 3,784 12,790 9,794 0.8,795 3,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 40,854 8,855 3,856 1,859 1,867 1,870 4.1,873 2,874 1,877 20,878 13.617,879 9,880 4.779,881 4.248,882 1.488,883 0.986,884 9.091,885 12.946,886 4.06,887 4.637,888 5.236,889 5.844,890 6.404,891 6.786,892 7.258,893 7.68,894 7.973,895 8.374,896 0.917,897 63,898 14.808,900 6.249,901 7.742,902 28.26,904 22.833,905 2.242,906 89.667,910 353.133,911 145.517,912 125.708,914 61.29,917 145.517,918 414.423,919 125.708,920 17.65,921 76.709,922 75.81,923 134.484,924 21.258,925 6.604,926 353.133,928 353.133,929 271.225,930 61.29,933 296.605,934 109.145,935 11,937 99.995,938 102.127,939 66.775,941 353.133,942 186.997,943 145.517,946 353.133,947 52.057,948 98.361,949 54.032,950 128.064,951 353.133,952 186.997,953 145.517,955 0.569,956 0.334,957 0.182,958 0.101,959 27,960 12,961 0.117,962 9,963 1,964 1.074,965 5.095,966 388.17,967 0.074,968 27,969 200.877,974 27.813,975 13.075,976 6.713,977 1.354,978 185.221,979 14.116,980 18.189,984 3.849,985 1.76,986 54.032,987 685.648,988 57,993 24.75,997 -0.516,999 73.501,1000 83.095,1001 0.26,1002 0.613,1003 0.766,1004 0.842,1005 0.859,1006 0.873,1007 5.291,1008 1.912,1009 6.159,1010 5.793,1011 4.796,1012 5.325,1013 2.349,1014 6.957,1015 4.713,1016 6.479,1017 1.702,1018 7.706,1019 5.099,1020 4.29,1021 5.112,1022 1.305,1023 7.832,1024 4.179,1025 7.779,1026 1.51,1027 9.354,1028 4.269,1029 6.372,1030 7.522,1031 2.725,1032 10.945,1033 6.206,1034 9.117,1035 1.471,1036 11.063,1037 3.927,1038 6.723,1039 8.187,1040 2.354,1041 12.682,1042 6.524,1043 10.491,1044 1.302,1045 12.814,1046 3.86,1047 8.233,1048 10.057,1049 3.385,1050 15.305,1051 7.985,1052 11.89,1053 1.164,1054 14.592,1055 2.906,1056 8.987,1057 11.141,1058 3.414,1059 17.41,1060 8.697,1061 13.309,1062 1,1063 16.392,1064 2.742,1065 10.264,1066 12.794,1067 4.215,1068 19.877,1069 9.927,1070 3.254,1071 1,1072 18.208,1073 2.275,1074 11.215,1075 14.092,1076 4.466,1077 22.15,1078 10.829,1079 2.838,1080 11.391,1081 20.037,1082 2.275,1083 12.399,1084 15.656,1085 5.136,1086 24.571,1087 11.964,1088 2.791,1089 8.946,1090 21.876,1091 4.627,1092 13.449,1093 17.065,1094 5.504,1095 26.923,1096 12.958,1097 2.671,1098 8.804,1099 23.724,1100 3.795,1101 14.601,1102 18.596,1103 6.101,1104 29.337,1105 14.057,1106 2.586,1107 8.596,1108 25.58,1109 3.77,1110 15.7,1111 20.061,1112 6.531,1113 31.727,1114 15.099,1115 2.347,1116 7.59,1117 27.443,1118 3.312,1119 16.846,1120 21.582,1121 7.087,1122 34.144,1123 16.187,1124 1.997,1125 6.871,1126 29.312,1127 3.187,1128 17.973,1129 23.077,1130 7.551,1131 36.554,1132 17.252,1133 28581,1134 46124,1135 29.819,1136 47.552,1137 65.021,1138 67.056,1139 66.908,1140 64.809,1141 64.837,1142 83.511,1143 9.243,1144 182.688,1145 62.217,1146 5.673,1147 5.568,1148 6.75,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 18.309,1156 1.478,1157 1.524,1158 1.521,1159 1.473,1160 1.474,1161 1.898,1162 0.21,1163 4.152,1164 1.414,1165 4.112,1166 4.169,1167 4.095,1168 3.946,1169 7.432,1170 3.97,1171 3.952,1172 3.986,1173 3.903,1174 3.857,1175 7.428,1176 3.862,1177 3.873,1178 3.908,1179 3.82,1180 3.762,1181 5.221,1182 3.778,1183 3.737,1184 3.8,1185 3.624,1186 3.536,1187 4.792,1188 3.525,1189 3.689,1190 3.761,1191 3.543,1192 3.499,1193 4.72,1194 3.515,1195 3.494,1196 3.552,1197 3.421,1198 3.265,1199 4.628,1200 3.285,1201 3.417,1202 3.484,1203 3.291,1204 3.198,1205 4.509,1206 3.218,1207 3.306,1208 3.376,1209 3.189,1210 3.06,1211 4.227,1212 3.084,1213 0.106,1214 0.081,1215 0.155,1216 0.095,1217 0.074,1218 4.673,1219 0.105,1220 3.568,1221 0.038,1222 6.84,1223 0.259,1224 4.197,1225 0.07,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.949,1232 1.918,1233 2.031,1234 2.088,1235 1.257,1236 2.068,1237 1.909,1238 1.884,1239 2.012,1240 2.025,1241 1.217,1242 2.02,1243 1.785,1244 1.741,1245 1.96,1246 1.955,1247 1.112,1248 1.954,1249 1.693,1250 1.623,1251 1.931,1252 1.89,1253 1.089,1254 1.909,1255 1.633,1256 1.569,1257 1.86,1258 1.875,1259 1.041,1260 1.874,1261 1.475,1262 1.403,1263 1.644,1264 1.722,1265 0.825,1266 1.702,1267 1.343,1268 1.291,1269 1.604,1270 1.622,1271 0.753,1272 1.606,1273 1.224,1274 1.157,1275 1.513,1276 1.511,1277 0.747,1278 1.494,1279 4.489,1281 5.796,1282 2.398,1283 7.3,1284 4.727,1285 8.895,1286 6.843,1287 10.541,1289 4.069,1295 5.938,1296 8.501,1297 5.506,1300 2.15,1305 45.659,1306 117.502,1307 276.995,1308 346.347,1309 380.347,1310 388.347,1311 394.347,1312 74.915,1313 8.698,1314 139.19,1315 139.19,1316 29,1317 12.904,1318 4.644,1319 3.807,1320 64.45,1321 247,1322 296,1323 0.127,1324 280.398,1325 481.25,1326 675.93,1327 89959,1329 27.899,1330 0.697,1331 0.567,1332 27.899,1333 22.684,1334 19.55,1335 0.444,1336 0.308,1337 13.329,1338 18.629,1339 13.073,1340 10.861,1341 19.55,1342 13.56,1343 16.978,1344 0.283,1345 0.157,1346 16.978,1347 9.391,1348 14.494,1349 0.181,1350 0.082,1351 14.494,1352 6.576,1353 12.124,1354 0.115,1355 0.042,1356 12.124,1357 4.362,1358 9.79,1359 0.073,1360 0.022,1361 9.79,1362 2.907,1363 0.208,1364 123.602,1365 0.183,1366 36.792,1367 0.323,1368 208,1369 636.076,1370 233.902,1371 609.198,1372 840.18,1373 572,1374 244,1375 632.368,1376 271.072,1377 631.487,1378 928.35,1379 596,1380 8.222}
{0 CHEMBL589599,1 1.671,2 13.281,3 1.473,4 2.169,5 117.467,6 8.142,7 0.611,8 4.116,9 4.244,10 3.765,11 3.579,12 5.28,13 3.606,14 4.635,15 4.811,16 4.116,17 3.952,18 5.784,19 3.964,20 4.825,21 5.03,22 4.138,23 4.062,24 5.933,25 4.043,26 4.836,27 5.065,28 4.09,29 4.031,30 5.932,31 4.001,32 4.791,33 4.999,34 4.099,35 4.009,36 5.96,37 3.998,38 4.8,39 5.006,40 4.065,41 4.031,42 5.909,43 4.012,44 4.784,45 4.989,46 3.932,47 4.036,48 5.837,49 3.967,50 4.82,51 5.084,52 3.715,53 3.944,54 5.778,55 3.805,56 0.143,57 0.905,58 9.398,59 3.927,60 10.04,61 5.058,62 0.514,63 1.375,64 19.133,65 6.285,66 30.99,67 8.41,68 0.614,69 1.566,70 24.928,71 7.762,72 44.545,73 10.724,74 0.528,75 1.545,76 26.041,77 7.899,78 43.441,79 11.477,80 0.579,81 1.47,82 24.506,83 7.308,84 58.141,85 10.235,86 0.608,87 1.513,88 23.968,89 6.809,90 45.931,91 9.391,92 0.527,93 1.455,94 23.096,95 7.943,96 37.628,97 11.016,98 0.512,99 1.315,100 28.438,101 10.272,102 51.68,103 15.036,104 5,105 50,106 0.274,107 0.646,108 0.774,109 0.822,110 0.837,111 0.837,112 3.502,113 0.847,114 -3.68,115 -3.65,116 -3.47,119 39.6,124 1,125 4,142 6,143 1,144 2,145 2,146 1,147 1,149 1,159 1,161 1,166 2,172 5,174 4,175 3,178 2,179 1,180 3,183 4,186 5,187 5,190 1,192 3,195 2,198 5,199 9,204 4,211 2,212 9,215 1,217 3,223 1,224 9,227 2,229 1,232 2,236 3,237 7,245 4,249 2,250 4,253 4,258 3,263 3,266 2,271 1,275 1808,276 22.085,277 22.085,278 22.085,279 22.085,280 22.085,281 19.368,282 25.34,283 13.216,284 22.708,285 17.83,286 17.83,287 17.83,288 17.83,289 17.83,290 13.729,291 35.692,292 6.355,293 18.83,294 4.057,295 1.78,296 1,297 0.708,298 0.618,299 0.618,300 4.214,304 1,305 1,306 947,307 3.082,310 79.885,311 400.731,314 139.623,318 2.076,319 29.315,322 0.75,323 0.83,324 0.83,325 0.7,327 0.83,328 1,329 0.71,330 70.5,331 425,332 4.666,333 3.562,334 6.825,335 4.189,336 3.246,337 4.621,338 1.656,339 11.316,340 3.059,341 4.17,342 3.341,343 6.108,344 3.774,345 2.799,346 3.79,347 0.86,348 8.937,349 2.729,350 3.975,351 2.886,352 6.045,353 3.605,354 2.645,355 3.479,356 0.8,357 8.583,358 2.536,359 3.879,360 2.783,361 5.567,362 3.565,363 2.642,364 3.285,365 0.247,366 7.634,367 2.431,368 3.757,369 2.547,370 5.323,371 3.363,372 2.399,373 3.134,375 6.924,376 2.309,377 3.405,378 2.406,379 5.023,380 2.952,381 1.975,382 2.655,384 5.5,385 1.925,386 3.149,387 2.304,388 4.677,389 2.858,390 1.919,391 2.243,393 5.114,394 1.788,395 2.968,396 1.829,397 4.407,398 2.451,399 1.502,400 2.176,402 4.25,403 1.421,404 2.843,405 1.535,406 4.232,407 2.343,408 1.428,409 1.974,411 3.622,412 1.323,413 2.703,414 1.519,415 3.761,416 2.321,417 1.374,418 1.774,420 2.995,421 1.275,422 2.5,423 1.256,424 3.569,425 2.076,426 1.148,427 1.5,428 2.895,429 1.058,430 2.5,431 1.256,432 3.423,433 2,434 1,435 1.5,436 2.275,437 1,438 2.464,439 1,440 3.414,441 1.956,442 1,443 1.456,445 2.136,446 0.953,447 2.074,448 1,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 0.894,458 3.247,459 1.688,460 0.767,461 0.978,463 1.977,464 0.703,465 14.767,466 0.461,467 0.674,468 0.021,469 45.75,470 1.43,471 23,472 0.719,473 22.75,474 0.711,475 23.339,476 0.729,477 33.833,478 0.638,479 35.426,480 1.107,481 9.225,482 0.288,483 6.444,484 0.201,485 0.056,487 0.325,493 0.81,494 1.464,495 0.691,496 1.158,497 0.61,498 0.938,499 1.009,500 1.084,501 0.847,502 0.903,503 0.655,504 0.856,505 1.081,506 1.074,507 0.994,508 0.968,509 0.983,510 0.968,511 0.879,512 1.057,513 0.928,514 1.007,515 0.897,516 0.968,517 1.163,518 1.107,519 0.965,520 0.948,521 1.48,522 0.917,523 1.304,524 0.986,525 1.194,526 0.929,527 1.237,528 1.001,529 0.92,530 1.089,531 1.262,532 1.234,533 0.808,534 1.295,535 0.41,536 0.896,537 0.929,538 1.214,539 0.463,540 1.196,541 5.5,542 0.162,543 3.111,544 1.819,545 1.444,546 1.351,547 0.725,548 0.25,549 0.271,550 0.205,551 15873,552 45268,553 2.174,554 39.6,556 17,558 2,559 2,564 1.742,565 2.087,566 3.631,567 0.301,569 1,573 88.573,574 1.671,575 3.948,576 4.728,577 5.02,578 5.11,579 5.11,580 3.05,581 4.5,582 4.968,583 3.844,584 1906.71,585 8.679,586 28398.4,588 1,590 1,591 303.58,592 1.198,593 4.954,594 0.153,595 0.007,596 0.062,597 0.036,598 0.031,599 0.028,600 0.016,601 0.006,602 0.009,603 0.009,604 0.357,605 0.33,606 0.75,607 0.406,608 169.564,609 -0.011,610 -0.243,611 0.072,612 -0.136,613 -0.02,614 -0.037,615 0.027,616 0.031,617 0.038,618 0.062,619 0.072,620 0.046,621 -0.076,622 -0.026,623 -0.058,624 -0.003,625 -0.061,626 -0.03,627 -0.018,628 -0.035,629 0.03,630 -0.047,631 0.022,632 -0.003,633 -0.108,634 -0.08,635 -0.012,636 0.018,637 -0.082,638 0.026,639 -0.274,640 0.095,641 -0.268,643 -0.195,644 -0.1,645 -0.087,646 -0.04,647 -0.358,648 -0.232,649 -0.131,650 -0.325,651 0.278,652 -0.033,653 0.093,654 -0.141,655 0.197,656 -0.081,657 2.015,658 5.204,659 0.844,660 36.563,661 1.016,662 1.14,663 2.451,664 6.009,665 0.67,666 3.611,667 3.932,668 4.22,669 4.511,670 4.762,671 4.86,672 5.056,673 5.198,674 5.278,675 5.384,676 7.725,677 0.656,678 431.51,679 3.611,680 5.153,681 6.009,682 6.889,683 7.763,684 8.651,685 9.535,686 10.429,687 11.32,688 12.219,689 17,695 1,696 2,697 1,699 5,703 2,704 8,705 5,709 5,710 1,711 22,726 1,731 53,733 23,734 1,735 36,737 57,738 21,739 15,740 2,741 4,746 5,747 6,751 1,761 16,762 5,766 1,771 1,775 1,778 1,781 21,782 10,783 2,784 11,790 9,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 32,854 4,855 2,856 1,859 1,867 1,870 3.8,873 1,874 1,877 15.333,878 9.9,879 6.972,880 3.054,881 4.017,882 1.492,883 1.014,884 5.734,885 12.179,886 3.892,887 4.503,888 5.108,889 5.737,890 6.295,891 6.638,892 7.131,893 7.578,894 7.879,895 8.271,896 0.889,897 50,898 11.768,900 5.011,901 7.745,902 22.305,904 18.089,905 2.245,906 71.833,910 223.651,911 118.235,912 124.482,914 36.145,917 118.235,918 259.796,919 124.482,920 8.396,921 49.418,922 56.857,923 144.962,924 36.167,925 6.604,926 200.109,928 223.651,929 242.718,930 36.145,933 225.979,934 25.145,935 11,937 73.149,938 83.681,939 83.56,941 223.651,942 160.627,943 118.235,946 223.651,947 34.886,948 88.25,949 36.022,950 119.705,951 223.651,952 160.627,953 118.235,955 0.578,956 0.336,957 0.188,958 0.105,959 25,960 10,961 0.07,962 4,963 1,964 1.074,965 4.435,966 297.572,967 0.074,968 27,969 152,974 20.461,975 8.967,976 4.463,977 1.332,978 158.851,979 14.097,980 21.808,984 3.395,985 1.642,986 36.022,987 502.513,988 48,993 12.204,997 -0.348,999 53.872,1000 60.395,1001 0.292,1002 0.689,1003 0.825,1004 0.876,1005 0.892,1006 0.892,1007 5.121,1008 1.502,1009 5.979,1010 5.114,1011 4.615,1012 5.19,1013 2.109,1014 6.781,1015 4.512,1016 6.319,1017 1.428,1018 7.525,1019 4.25,1020 4.111,1021 4.945,1022 1.305,1023 7.644,1024 3.967,1025 7.621,1026 1.374,1027 9.171,1028 3.622,1029 6.192,1030 7.405,1031 2.545,1032 10.775,1033 5.988,1034 8.96,1035 1.148,1036 10.881,1037 2.995,1038 6.538,1039 8.04,1040 2.354,1041 12.515,1042 6.287,1043 10.333,1044 1,1045 12.632,1046 2.895,1047 8.059,1048 9.95,1049 3.285,1050 15.152,1051 7.752,1052 11.733,1053 1,1054 14.412,1055 2.275,1056 8.811,1057 11.022,1058 3.414,1059 17.266,1060 8.45,1061 13.153,1062 1,1063 16.215,1064 2.136,1065 10.097,1066 12.699,1067 4.168,1068 19.743,1069 9.683,1070 3.246,1071 0.767,1072 18.034,1073 2.136,1074 11.052,1075 13.997,1076 4.466,1077 22.024,1078 10.579,1079 2.799,1080 11.316,1081 19.868,1082 1.977,1083 12.244,1084 15.576,1085 5.115,1086 24.452,1087 11.716,1088 2.645,1089 8.937,1090 21.712,1091 4.621,1092 13.299,1093 16.989,1094 5.504,1095 26.807,1096 12.71,1097 2.642,1098 8.583,1099 23.566,1100 3.79,1101 14.458,1102 18.529,1103 6.092,1104 29.224,1105 13.813,1106 2.399,1107 7.634,1108 25.428,1109 3.479,1110 15.564,1111 20,1112 6.531,1113 31.614,1114 14.857,1115 1.975,1116 6.924,1117 27.297,1118 3.285,1119 16.716,1120 21.527,1121 7.084,1122 34.031,1123 15.95,1124 1.919,1125 5.5,1126 29.172,1127 3.134,1128 17.849,1129 23.027,1130 7.551,1131 36.438,1132 17.02,1133 14628,1134 24878,1135 24.849,1136 35.529,1137 54.137,1138 55.144,1139 54.68,1140 53.852,1141 53.865,1142 71.343,1143 7.126,1144 153.051,1145 51.076,1146 5.666,1147 5.562,1148 6.627,1149 5.292,1150 5.246,1151 7.621,1152 2.912,1153 18.689,1154 5.059,1155 10.6,1156 1.504,1157 1.532,1158 1.519,1159 1.496,1160 1.496,1161 1.982,1162 0.198,1163 4.251,1164 1.419,1165 4.105,1166 4.162,1167 4.089,1168 3.937,1169 7.431,1170 3.962,1171 3.905,1172 3.95,1173 3.855,1174 3.763,1175 5.226,1176 3.784,1177 3.844,1178 3.884,1179 3.786,1180 3.736,1181 4.909,1182 3.744,1183 3.731,1184 3.794,1185 3.618,1186 3.491,1187 4.787,1188 3.512,1189 3.437,1190 3.491,1191 3.39,1192 3.163,1193 4.628,1194 3.212,1195 3.284,1196 3.355,1197 3.203,1198 3.016,1199 4.512,1200 3.049,1201 3.111,1202 3.206,1203 2.918,1204 2.941,1205 4.073,1206 2.91,1207 3,1208 3.071,1209 2.866,1210 2.823,1211 4.024,1212 2.833,1213 0.13,1214 0.099,1215 0.19,1216 0.116,1217 0.09,1218 4.666,1219 0.128,1220 3.562,1221 0.046,1222 6.825,1223 0.314,1224 4.189,1225 0.085,1226 3.246,1227 4.621,1228 1.656,1229 11.316,1230 3.059,1231 1.946,1232 1.915,1233 2.027,1234 2.086,1235 1.215,1236 2.065,1237 1.823,1238 1.782,1239 1.938,1240 1.991,1241 1.106,1242 1.977,1243 1.779,1244 1.735,1245 1.925,1246 1.941,1247 0.945,1248 1.941,1249 1.605,1250 1.548,1251 1.767,1252 1.853,1253 0.877,1254 1.831,1255 1.351,1256 1.259,1257 1.565,1258 1.675,1259 0.825,1260 1.638,1261 1.251,1262 1.202,1263 1.513,1264 1.554,1265 0.607,1266 1.506,1267 1.153,1268 1.064,1269 1.379,1270 1.376,1271 0.346,1272 1.429,1273 0.949,1274 0.899,1275 1.181,1276 1.174,1277 0.232,1278 1.156,1279 4.29,1281 5.609,1282 2.398,1283 7.125,1284 4.727,1285 8.729,1286 6.823,1287 10.381,1289 1.809,1295 2.749,1296 5.536,1297 5.466,1300 2.143,1305 34.783,1306 88.573,1307 209.261,1308 250.56,1309 266.07,1310 270.825,1311 270.825,1312 43.986,1313 8.162,1314 122.98,1315 122.98,1316 29,1317 12.744,1318 4.585,1319 3.7,1320 45.9,1321 148,1322 160,1323 0.149,1324 212.182,1325 354,1326 509.485,1327 43810,1329 21.916,1330 0.685,1331 0.544,1332 21.916,1333 17.394,1334 15.67,1335 0.435,1336 0.282,1337 9.939,1338 14.808,1339 9.772,1340 8.063,1341 15.67,1342 10.158,1343 14.037,1344 0.281,1345 0.145,1346 14.037,1347 7.254,1348 11.946,1349 0.178,1350 0.076,1351 11.946,1352 5.064,1353 10.256,1354 0.114,1355 0.038,1356 10.256,1357 3.458,1358 8.453,1359 0.073,1360 0.02,1361 8.453,1362 2.318,1363 0.238,1364 99.872,1365 0.201,1366 30.231,1367 0.398,1368 172,1369 549.653,1370 195.021,1371 527.338,1372 730.39,1373 496,1374 203,1375 553.802,1376 227.607,1377 554.671,1378 811.09,1379 521,1380 7.979}
{0 CHEMBL589600,1 1.773,2 12.548,3 2.41,4 5.808,5 117.834,6 8.56,7 0.6,8 4.081,9 4.201,10 3.809,11 3.598,12 5.224,13 3.595,14 4.604,15 4.769,16 4.178,17 3.975,18 5.738,19 3.957,20 4.774,21 4.974,22 4.113,23 4.029,24 5.866,25 3.991,26 4.773,27 4.991,28 4.13,29 4.006,30 5.877,31 3.974,32 4.751,33 4.954,34 4.1,35 4.003,36 5.892,37 3.979,38 4.767,39 4.968,40 4.077,41 4.033,42 5.859,43 3.992,44 4.746,45 4.948,46 3.969,47 4.045,48 5.773,49 3.95,50 4.77,51 5.026,52 3.703,53 3.931,54 5.717,55 3.77,56 0.14,57 0.882,58 8.872,59 4.217,60 9.036,61 4.907,62 0.499,63 1.374,64 19.846,65 6.989,66 28.373,67 8.367,68 0.582,69 1.524,70 26.218,71 8.407,72 40.667,73 10.345,74 0.513,75 1.516,76 24.698,77 7.802,78 38.557,79 10.468,80 0.482,81 1.457,82 23.762,83 7.802,84 46.213,85 9.998,86 0.612,87 1.512,88 22.578,89 7.117,90 46.237,91 8.809,92 0.501,93 1.455,94 23.853,95 8.661,96 32.231,97 10.906,98 0.478,99 1.307,100 29.072,101 10.878,102 47.317,103 14.801,104 5,105 49,106 0.293,107 0.667,108 0.787,109 0.831,110 0.831,111 0.831,112 3.472,113 0.915,114 -4.25,115 -4.19,116 -3.96,119 39.2,124 1,125 4,142 6,143 1,144 1,146 1,147 1,149 1,151 1,153 1,159 1,161 1,166 2,172 5,174 4,175 2,178 2,179 1,180 4,183 6,186 5,187 4,192 3,195 2,198 5,199 10,204 5,211 1,212 9,217 3,223 1,224 9,227 2,229 1,232 4,236 3,237 5,245 6,249 2,250 2,253 4,258 4,263 2,266 2,271 1,275 1675,276 21.378,277 21.378,278 21.378,279 21.378,280 21.378,281 18.791,282 25.34,283 12.716,284 22.154,285 17.33,286 17.33,287 17.33,288 17.33,289 17.33,290 13.396,291 35.692,292 6.105,293 18.586,294 3.9,295 1.632,296 0.907,297 0.642,298 0.642,299 0.642,300 4.182,304 1,305 1,306 869,307 3.082,310 173.812,311 271.552,314 133.914,318 2.008,319 27.423,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 68,331 389,332 4.666,333 3.562,334 6.825,335 4.189,336 3.246,337 4.621,338 1.656,339 11.316,340 3.059,341 4.17,342 3.341,343 6.108,344 3.773,345 2.799,346 3.79,347 0.86,348 8.937,349 2.727,350 3.99,351 2.886,352 6.045,353 3.58,354 2.652,355 3.51,356 0.8,357 8.583,358 2.468,359 3.88,360 2.783,361 5.571,362 3.565,363 2.645,364 3.286,365 0.247,366 7.643,367 2.43,368 3.762,369 2.565,370 5.329,371 3.337,372 2.408,373 3.135,375 6.94,376 2.215,377 3.402,378 2.408,379 5.023,380 2.937,381 1.974,382 2.644,384 5.5,385 1.883,386 3.149,387 2.304,388 4.682,389 2.856,390 1.917,391 2.243,393 5.129,394 1.786,395 2.961,396 1.829,397 4.408,398 2.44,399 1.489,400 2.164,402 4.251,403 1.411,404 2.704,405 1.535,406 4.232,407 2.324,408 1.427,409 1.776,411 3.622,412 1.276,413 2.568,414 1.318,415 3.76,416 2.093,417 1.162,418 1.581,420 2.903,421 1.071,422 2.5,423 1.256,424 3.427,425 2.057,426 1.119,427 1.5,428 2.492,429 1.036,430 2.463,431 1.256,432 3.414,433 2,434 1,435 1.454,436 2.275,437 1,438 2.118,439 1,440 3.387,441 1.952,442 1,443 1,445 2.136,446 0.946,447 2.073,448 0.893,449 3.247,450 1.687,451 0.766,452 0.977,454 1.975,455 0.703,456 2,457 0.618,458 3,459 1.463,460 0.618,461 0.927,463 1.372,464 0.507,465 14.7,466 0.474,467 0.674,468 0.022,469 42.75,470 1.379,471 21,472 0.677,473 21.75,474 0.702,475 24.106,476 0.778,477 32.7,478 0.641,479 32.154,480 1.037,481 8.421,482 0.272,483 6.748,484 0.218,485 0.057,487 0.327,493 0.805,494 1.335,495 0.683,496 0.995,497 0.606,498 0.89,499 0.971,500 1.048,501 0.862,502 0.901,503 0.624,504 0.846,505 1.125,506 1.11,507 1.044,508 0.995,509 0.995,510 0.979,511 0.869,512 1.024,513 0.764,514 0.905,515 0.93,516 0.933,517 1.158,518 1.152,519 0.836,520 0.891,521 1.391,522 0.907,523 1.361,524 0.906,525 1.036,526 0.78,527 1.32,528 0.98,529 0.86,530 1.033,531 1.184,532 1.143,533 0.645,534 1.254,535 0.386,536 0.89,537 0.919,538 1.163,539 0.45,540 1.23,541 5.5,542 0.15,543 3.111,544 1.854,545 1.328,546 1.393,547 0.651,548 0.266,549 0.268,550 0.189,551 14463,552 42512,553 2.18,554 39.2,556 17,557 1,559 2,564 1.735,565 2.09,566 3.559,567 0.321,569 1,573 90.417,574 1.773,575 4.041,576 4.765,577 5.03,578 5.03,579 5.03,580 3.079,581 4.414,582 4.922,583 3.785,584 1760.06,585 8.59,586 25436.1,588 1,590 1,591 289.294,592 1.215,593 4.907,594 0.157,595 0.007,596 0.063,597 0.039,598 0.029,599 0.03,600 0.015,601 0.007,602 0.01,603 0.009,604 0.365,605 0.17,606 0.88,607 0.415,608 162.14,609 -0.01,610 -0.157,611 0.072,612 -0.044,613 -0.026,614 -0.013,615 0.061,616 0.052,617 0.043,618 0.061,619 0.09,620 0.051,621 -0.099,622 -0.079,623 -0.122,624 -0.059,625 -0.053,626 -0.051,627 0.009,628 -0.005,629 0.061,630 -0.048,631 0.012,632 -0.001,633 -0.147,634 -0.15,635 -0.013,636 -0.018,637 -0.088,638 0.022,639 -0.314,640 0.16,641 -0.238,642 0.049,643 -0.26,644 -0.11,645 -0.063,647 -0.287,648 -0.177,649 -0.087,650 -0.29,651 0.293,652 -0.041,653 0.035,654 -0.157,655 0.197,656 -0.123,657 1.955,658 5.136,659 0.839,660 34.485,661 1.017,662 1.134,663 3.024,664 9.146,665 0.69,666 3.584,667 3.912,668 4.205,669 4.5,670 4.71,671 4.844,672 5.043,673 5.176,674 5.268,675 5.366,676 7.442,677 0.666,678 436.55,679 3.584,680 5.13,681 5.989,682 6.872,683 7.749,684 8.64,685 9.526,686 10.422,687 11.314,688 12.214,689 15.7,695 1,696 2,697 1,699 4,703 2,704 7,705 4,708 1,709 5,710 1,711 21,726 1,731 51,733 22,734 1,735 35,737 55,738 20,739 14,740 2,741 4,746 5,747 6,751 1,761 15,762 5,766 1,771 1,775 1,778 1,781 20,782 9,783 2,784 11,785 1,790 8,794 0.8,795 2,806 1,811 2,812 3,815 1,839 1,840 4,842 1,844 1,848 31,854 4,855 2,856 1,859 1,865 1,867 1,870 3.9,873 1,874 1,877 14.833,878 9.533,879 6.722,880 2.934,881 3.767,882 1.467,883 1.022,884 5.7,885 11.839,886 3.861,887 4.477,888 5.088,889 5.721,890 6.207,891 6.618,892 7.119,893 7.554,894 7.874,895 8.259,896 1,897 47,898 11.419,900 4.887,901 7.715,902 21.759,904 17.819,905 2.215,906 68.667,909 1,910 211.88,911 137.24,912 107.697,914 36.145,916 31.278,917 105.962,918 248.025,919 107.697,920 8.396,921 49.418,922 64.507,923 104.635,924 16.245,925 18.375,926 231.386,928 211.88,929 213.659,930 36.145,931 31.278,933 214.208,934 25.145,935 11,937 55.983,938 88.573,939 66.775,940 31.278,941 211.88,942 143.842,943 137.24,946 211.88,947 64.337,948 77.804,949 36.022,950 102.919,951 211.88,952 143.842,953 137.24,955 0.58,956 0.338,957 0.189,958 0.099,959 25,960 10,961 0.073,962 4,963 1,964 1.077,965 4.35,966 286.79,967 0.077,968 26,969 142.825,970 1,974 20.154,975 8.768,976 4.337,977 1.348,978 142.065,979 13.058,980 17.839,983 1.465,984 3.635,985 1.648,986 36.022,987 492.961,988 46.5,993 12.136,997 -0.288,999 51.847,1000 57.816,1001 0.313,1002 0.712,1003 0.84,1004 0.887,1005 0.887,1006 0.887,1007 5.095,1008 1.489,1009 5.964,1010 5.129,1011 4.595,1012 5.165,1013 2.109,1014 6.772,1015 4.467,1016 6.297,1017 1.427,1018 7.514,1019 4.251,1020 4.111,1021 4.945,1022 1.305,1023 7.644,1024 3.936,1025 7.602,1026 1.162,1027 9.164,1028 3.622,1029 6.18,1030 7.386,1031 2.545,1032 10.773,1033 5.935,1034 8.945,1035 1.119,1036 10.876,1037 2.903,1038 6.553,1039 8.065,1040 2.354,1041 12.517,1042 6.256,1043 10.324,1044 1,1045 12.629,1046 2.492,1047 8.052,1048 9.937,1049 3.285,1050 15.152,1051 7.698,1052 11.727,1053 1,1054 14.411,1055 2.275,1056 8.823,1057 11.044,1058 3.414,1059 17.268,1060 8.415,1061 13.15,1062 0.766,1063 16.214,1064 2.136,1065 10.096,1066 12.692,1067 4.168,1068 19.744,1069 9.635,1070 3.246,1071 0.618,1072 18.034,1073 1.975,1074 11.061,1075 14.012,1076 4.466,1077 22.024,1078 10.544,1079 2.799,1080 11.316,1081 19.868,1082 1.372,1083 12.245,1084 15.573,1085 5.115,1086 24.452,1087 11.675,1088 2.652,1089 8.937,1090 21.713,1091 4.621,1092 13.305,1093 16.998,1094 5.504,1095 26.807,1096 12.678,1097 2.645,1098 8.583,1099 23.567,1100 3.79,1101 14.46,1102 18.529,1103 6.092,1104 29.224,1105 13.779,1106 2.408,1107 7.643,1108 25.429,1109 3.51,1110 15.568,1111 20.005,1112 6.531,1113 31.614,1114 14.829,1115 1.974,1116 6.94,1117 27.298,1118 3.286,1119 16.718,1120 21.528,1121 7.084,1122 34.031,1123 15.923,1124 1.917,1125 5.5,1126 29.172,1127 3.135,1128 17.852,1129 23.03,1130 7.551,1131 36.438,1132 16.998,1133 13297,1134 22980,1135 24.156,1136 35.171,1137 52.985,1138 53.596,1139 53.031,1140 52.517,1141 52.54,1142 69.334,1143 7.126,1144 150.393,1145 49.126,1146 5.666,1147 5.562,1148 6.627,1149 5.292,1150 5.246,1151 7.621,1152 2.912,1153 18.689,1154 5.059,1155 10.386,1156 1.514,1157 1.531,1158 1.515,1159 1.5,1160 1.501,1161 1.981,1162 0.204,1163 4.297,1164 1.404,1165 4.104,1166 4.161,1167 4.216,1168 3.942,1169 7.431,1170 3.963,1171 3.9,1172 3.936,1173 4.085,1174 3.876,1175 5.226,1176 3.803,1177 3.833,1178 3.851,1179 3.828,1180 3.757,1181 4.792,1182 3.766,1183 3.731,1184 3.793,1185 3.618,1186 3.491,1187 4.691,1188 3.512,1189 3.424,1190 3.476,1191 3.399,1192 3.157,1193 4.628,1194 3.204,1195 3.277,1196 3.345,1197 3.2,1198 3.004,1199 4.51,1200 3.039,1201 3.111,1202 3.206,1203 2.91,1204 2.941,1205 4.067,1206 2.91,1207 2.985,1208 3.054,1209 2.866,1210 2.79,1211 3.922,1212 2.81,1213 0.133,1214 0.102,1215 0.195,1216 0.12,1217 0.093,1218 4.666,1219 0.132,1220 3.562,1221 0.047,1222 6.825,1223 0.323,1224 4.189,1225 0.087,1226 3.246,1227 4.621,1228 1.656,1229 11.316,1230 3.059,1231 1.946,1232 1.915,1233 2.026,1234 2.085,1235 1.215,1236 2.064,1237 1.783,1238 1.738,1239 1.93,1240 1.963,1241 1.106,1242 1.957,1243 1.606,1244 1.55,1245 1.768,1246 1.859,1247 0.878,1248 1.835,1249 1.518,1250 1.479,1251 1.67,1252 1.717,1253 0.825,1254 1.693,1255 1.387,1256 1.373,1257 1.565,1258 1.654,1259 0.714,1260 1.627,1261 1.344,1262 1.251,1263 1.513,1264 1.517,1265 0.608,1266 1.538,1267 1.153,1268 1.084,1269 1.409,1270 1.376,1271 0.579,1272 1.429,1273 1.108,1274 1.064,1275 1.181,1276 1.242,1277 0.296,1278 1.274,1279 4.263,1281 5.587,1282 3.045,1283 7.099,1284 5.283,1285 8.699,1286 7.273,1287 10.35,1289 1.814,1295 2.776,1296 5.621,1297 5.466,1300 2.149,1305 33.949,1306 90.417,1307 206.079,1308 243.029,1309 256.539,1310 256.539,1311 256.539,1312 42.012,1313 8.072,1314 110.09,1315 138.33,1316 28,1317 12.738,1318 4.524,1319 3.644,1320 43.78,1321 137,1322 142,1323 0.153,1324 209.854,1325 346.85,1326 503.804,1327 38410,1329 21.209,1330 0.684,1331 0.568,1332 21.562,1333 17.594,1334 15.17,1335 0.433,1336 0.305,1337 9.669,1338 13.893,1339 9.42,1340 7.754,1341 15.624,1342 10.673,1343 13.684,1344 0.279,1345 0.162,1346 14.293,1347 7.937,1348 11.696,1349 0.177,1350 0.086,1351 12.312,1352 5.687,1353 10.079,1354 0.113,1355 0.045,1356 10.714,1357 3.965,1358 7.84,1359 0.071,1360 0.021,1361 8.119,1362 2.347,1363 0.244,1364 100.913,1365 0.203,1366 29.381,1367 0.411,1368 168,1369 530.868,1370 212.472,1371 529.126,1372 732.57,1373 498,1374 199,1375 540.09,1376 238.783,1377 554.171,1378 813.02,1379 521,1380 8.187}
{0 CHEMBL589612,1 1.6,2 20.333,3 2.276,4 5.182,5 171.919,6 7.307,7 0.44,8 4.54,9 4.679,10 4.095,11 3.985,12 5.601,13 3.985,14 5.11,15 5.313,16 4.445,17 4.38,18 6.14,19 4.358,20 5.351,21 5.582,22 4.497,23 4.544,24 6.343,25 4.484,26 5.414,27 5.666,28 4.453,29 4.541,30 6.411,31 4.458,32 5.382,33 5.644,34 4.418,35 4.473,36 6.386,37 4.409,38 5.256,39 5.482,40 4.417,41 4.456,42 6.292,43 4.403,44 5.279,45 5.503,46 4.363,47 4.482,48 6.299,49 4.407,50 5.301,51 5.538,52 4.267,53 4.477,54 6.375,55 4.353,56 0.117,57 1.355,58 18.206,59 6.597,60 11.802,61 9.656,62 0.671,63 2.096,64 36.128,65 10.454,66 43.819,67 16.15,68 0.788,69 2.469,70 47.616,71 14.016,72 63.164,73 21.572,74 0.678,75 2.49,76 51.629,77 15.363,78 79.522,79 24.032,80 0.865,81 2.339,82 51.558,83 13.428,84 91.906,85 21.785,86 0.752,87 2.257,88 43.018,89 12.248,90 64.528,91 18.99,92 0.719,93 2.244,94 44.033,95 13.346,96 66.022,97 20.3,98 0.85,99 2.166,100 45.596,101 16.253,102 112.169,103 23.662,104 18,105 69,106 0.24,107 0.548,108 0.683,109 0.771,110 0.813,111 0.823,112 3.831,113 0.923,114 -3.92,115 -3.87,116 -3.67,119 36.9,120 1,124 1,125 11,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 8,174 4,175 4,178 3,179 1,180 5,183 8,186 6,187 7,190 1,192 6,195 4,198 5,199 14,204 8,211 2,212 11,217 4,223 1,224 14,227 4,228 1,229 2,232 5,236 3,237 7,245 10,249 4,250 3,253 6,254 1,258 10,263 5,266 3,271 4,275 4907,276 30.902,277 30.902,278 30.902,279 30.902,280 30.902,281 28.174,282 41.341,283 18.295,284 31.781,285 24.645,286 24.645,287 24.645,288 24.645,289 24.645,290 20.284,291 54.402,292 8.662,293 25.969,294 4.792,295 2.737,296 1.835,297 1.247,298 0.97,299 0.899,300 4.544,306 2023,307 4.243,310 131.863,311 825.863,314 230.588,318 3.378,319 43.26,322 0.5,323 0.5,324 0.5,325 0.8,326 0.5,327 0.5,328 0.5,329 0.54,330 98.5,331 915,332 4.673,333 3.568,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.199,342 3.55,343 6.11,344 3.835,345 2.839,346 3.795,347 1.058,348 8.946,349 2.829,350 4.167,351 3.348,352 6.095,353 3.771,354 2.792,355 3.77,356 0.86,357 8.804,358 2.729,359 3.915,360 2.944,361 6.03,362 3.592,363 2.671,364 3.312,365 0.8,366 8.597,367 2.496,368 3.865,369 2.906,370 5.557,371 3.56,372 2.62,373 3.187,374 0.8,375 7.591,376 2.455,377 3.697,378 2.796,379 5.412,380 3.531,381 2.582,382 3.069,383 0.8,384 7.154,385 2.406,386 3.615,387 2.565,388 5.31,389 3.316,390 2.347,391 2.621,392 0.247,393 6.871,394 2.27,395 3.364,396 2.485,397 5.12,398 3.022,399 2.111,400 2.585,402 5.793,403 1.931,404 3.183,405 2.417,406 4.889,407 2.939,408 1.996,409 2.279,411 5.696,412 1.891,413 3.114,414 2.318,415 4.677,416 2.884,417 1.901,418 2.164,420 5.097,421 1.833,422 2.962,423 1.908,424 4.417,425 2.491,426 1.532,427 2.117,428 4.265,429 1.464,430 2.846,431 1.893,432 4.351,433 2.429,434 1.503,435 1.894,436 3.869,437 1.399,438 2.744,439 1.543,440 4.185,441 2.391,442 1.453,443 1.818,445 3.836,446 1.341,447 2.5,448 1.535,449 3.761,450 2.08,451 1.165,452 1.5,454 2.905,455 1.06,456 2.5,457 1.32,458 3.43,459 2,460 1,461 1.5,463 2.275,464 1,465 20.9,466 0.464,467 0.968,468 0.022,469 56,470 1.244,471 24.5,472 0.544,473 31.5,474 0.7,475 42.728,476 0.95,477 49.9,478 0.594,479 49.724,480 1.105,481 11.224,482 0.249,483 10.738,484 0.239,485 0.08,487 0.316,493 0.8,494 1.602,495 0.792,496 1.263,497 0.573,498 1.055,499 1.004,500 1.11,501 0.916,502 0.927,503 0.574,504 0.901,505 1.032,506 1.036,507 0.997,508 0.979,509 0.855,510 0.978,511 0.886,512 1.133,513 0.943,514 1.091,515 0.993,516 1.033,517 1.165,518 0.972,519 0.924,520 0.816,521 1.327,522 0.819,523 1.111,524 1.023,525 1.07,526 0.988,527 1.082,528 1.006,529 1.109,530 1.045,531 1.129,532 1.071,533 1.171,534 1.092,535 0.584,536 0.974,537 1.025,538 1.223,539 0.841,540 1.217,541 8.5,542 0.269,543 4.889,544 2.382,545 2.102,546 1.788,547 1.09,548 0.502,549 0.431,550 0.419,551 46085,552 111983,553 2.133,554 46.4,556 33,559 3,561 3,564 1.82,565 2.03,566 4.203,567 0.77,573 134.435,574 1.6,575 3.656,576 4.557,577 5.146,578 5.422,579 5.493,580 3.674,581 5.075,582 5.46,583 4.472,584 4427.02,585 9.634,586 92784.3,591 536.955,592 1.277,593 5.438,594 0.17,595 0.006,596 0.071,597 0.034,598 0.032,599 0.028,600 0.017,601 0.008,602 0.008,603 0.01,604 0.383,605 0.33,606 0.63,607 0.554,608 271.706,609 0.007,610 -0.289,611 0.077,612 -0.138,613 -0.001,614 -0.038,615 0.028,616 0.054,617 0.039,618 0.071,619 0.094,620 0.057,621 -0.051,622 0.036,623 -0.028,624 0.017,625 0.008,626 -0.001,627 0.002,628 -0.126,629 0.03,630 -0.092,631 0.026,632 -0.036,633 -0.1,634 0.004,635 0.085,636 0.134,637 -0.075,638 0.146,639 -0.086,640 0.077,641 -0.101,642 -0.005,643 -0.076,644 -0.044,645 -0.114,646 0.027,647 -0.168,648 -0.054,649 -0.119,650 -0.105,651 0.257,652 0.019,653 -0.076,654 -0.15,655 0.202,656 -0.173,657 2.058,658 5.708,659 0.733,660 75.694,661 1.006,662 1.142,663 2.687,664 7.221,665 0.644,666 3.932,667 4.248,668 4.522,669 4.779,670 5.03,671 5.136,672 5.308,673 5.442,674 5.533,675 5.659,676 11.616,677 0.616,678 613.81,679 3.932,680 5.476,681 6.326,682 7.198,683 8.064,684 8.943,685 9.819,686 10.703,687 11.585,688 12.474,689 13.1,692 2,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,718 1,726 1,731 84,733 24,734 2,735 50,737 89,738 31,739 16,740 4,741 8,742 1,746 6,747 7,751 1,752 1,761 18,762 13,766 2,771 2,775 2,781 39,782 13,783 3,784 14,790 11,794 0.833,795 3,806 1,811 1,812 5,815 1,836 2,839 1,840 5,844 2,848 45,854 11,855 3,856 1,859 3,867 1,870 3.6,873 2,874 1,877 22.167,878 15.517,879 9.917,880 5.229,881 4.306,882 1.47,883 0.992,884 10.059,885 13.473,886 4.159,887 4.721,888 5.293,889 5.881,890 6.431,891 6.803,892 7.27,893 7.69,894 7.985,895 8.387,896 1,897 71,898 16.69,900 7.085,901 7.681,902 32.124,904 26.309,905 2.181,906 98.167,910 423.76,911 150.548,912 131.956,914 61.29,917 150.548,918 485.049,919 131.956,920 17.222,921 82.168,922 75.81,923 134.484,924 27.506,925 6.604,926 423.76,928 423.76,929 282.504,930 61.29,933 390.774,934 85.603,935 11,937 102.878,938 110.524,939 66.775,941 423.76,942 193.246,943 150.548,946 423.76,947 57.517,948 104.181,949 54.032,950 128.064,951 423.76,952 193.246,953 150.548,955 0.578,956 0.337,957 0.18,958 0.101,959 32,960 14,961 0.101,962 9,963 1,964 1.061,965 5.603,966 453.472,967 0.061,968 33,969 231.133,974 31.176,975 14.519,976 7.707,977 1.354,978 191.469,979 14.202,980 18.245,984 3.844,985 1.763,986 54.032,987 767.554,988 63,993 25.272,997 -0.52,999 84.472,1000 95.922,1001 0.25,1002 0.572,1003 0.713,1004 0.805,1005 0.848,1006 0.859,1007 5.405,1008 2.111,1009 6.297,1010 6.871,1011 4.934,1012 5.409,1013 2.518,1014 7.086,1015 4.837,1016 6.584,1017 1.996,1018 7.84,1019 5.793,1020 4.443,1021 5.182,1022 1.494,1023 7.934,1024 4.305,1025 7.878,1026 1.901,1027 9.479,1028 5.696,1029 6.509,1030 7.567,1031 2.783,1032 11.029,1033 6.319,1034 9.206,1035 1.532,1036 11.178,1037 5.097,1038 6.847,1039 8.217,1040 2.41,1041 12.737,1042 6.62,1043 10.57,1044 1.503,1045 12.916,1046 4.265,1047 8.353,1048 10.077,1049 3.403,1050 15.349,1051 8.076,1052 11.959,1053 1.453,1054 14.683,1055 3.869,1056 9.085,1057 11.153,1058 3.427,1059 17.437,1060 8.768,1061 13.368,1062 1.165,1063 16.47,1064 3.836,1065 10.36,1066 12.802,1067 4.22,1068 19.897,1069 9.994,1070 3.254,1071 1,1072 18.275,1073 2.905,1074 11.291,1075 14.097,1076 4.469,1077 22.162,1078 10.88,1079 2.839,1080 11.391,1081 20.093,1082 2.275,1083 12.471,1084 15.659,1085 5.137,1086 24.58,1087 12.011,1088 2.792,1089 8.946,1090 21.924,1091 4.627,1092 13.506,1093 17.067,1094 5.505,1095 26.928,1096 12.995,1097 2.671,1098 8.804,1099 23.764,1100 3.795,1101 14.653,1102 18.597,1103 6.101,1104 29.341,1105 14.09,1106 2.62,1107 8.597,1108 25.613,1109 3.77,1110 15.742,1111 20.062,1112 6.531,1113 31.729,1114 15.124,1115 2.582,1116 7.591,1117 27.47,1118 3.312,1119 16.882,1120 21.583,1121 7.087,1122 34.146,1123 16.209,1124 2.347,1125 7.154,1126 29.334,1127 3.187,1128 18.002,1129 23.078,1130 7.551,1131 36.555,1132 17.27,1133 42439,1134 66527,1135 34.096,1136 54.086,1137 74.443,1138 76.307,1139 76.093,1140 74.13,1141 74.106,1142 92.772,1143 12.443,1144 209.837,1145 70.566,1146 5.673,1147 5.568,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 19.708,1156 1.489,1157 1.526,1158 1.522,1159 1.483,1160 1.482,1161 1.855,1162 0.249,1163 4.197,1164 1.411,1165 4.114,1166 4.17,1167 4.096,1168 3.947,1169 7.432,1170 3.972,1171 3.957,1172 3.996,1173 3.905,1174 3.857,1175 7.428,1176 3.863,1177 3.874,1178 3.924,1179 3.821,1180 3.762,1181 5.221,1182 3.778,1183 3.844,1184 3.903,1185 3.727,1186 3.643,1187 4.792,1188 3.654,1189 3.736,1190 3.799,1191 3.623,1192 3.499,1193 4.72,1194 3.519,1195 3.561,1196 3.632,1197 3.481,1198 3.324,1199 4.628,1200 3.345,1201 3.466,1202 3.537,1203 3.361,1204 3.258,1205 4.51,1206 3.263,1207 3.389,1208 3.45,1209 3.265,1210 3.149,1211 4.412,1212 3.177,1213 0.093,1214 0.071,1215 0.137,1216 0.084,1217 0.065,1218 4.673,1219 0.093,1220 3.568,1221 0.033,1222 6.84,1223 0.228,1224 4.197,1225 0.061,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.949,1232 1.918,1233 2.031,1234 2.088,1235 1.322,1236 2.068,1237 1.909,1238 1.884,1239 2.017,1240 2.041,1241 1.217,1242 2.039,1243 1.792,1244 1.741,1245 1.994,1246 2.008,1247 1.113,1248 2.005,1249 1.785,1250 1.716,1251 1.931,1252 1.952,1253 1.098,1254 1.951,1255 1.633,1256 1.569,1257 1.86,1258 1.886,1259 1.042,1260 1.875,1261 1.496,1262 1.421,1263 1.752,1264 1.758,1265 1.004,1266 1.756,1267 1.473,1268 1.4,1269 1.644,1270 1.715,1271 0.825,1272 1.7,1273 1.285,1274 1.237,1275 1.524,1276 1.572,1277 0.825,1278 1.536,1279 4.615,1281 5.932,1282 2.398,1283 7.44,1284 4.727,1285 9.032,1286 6.843,1287 10.671,1289 4.124,1295 8.895,1296 8.649,1297 5.52,1300 6.818,1305 51.755,1306 134.435,1307 307.065,1308 382.777,1309 432.226,1310 455.445,1311 461.445,1312 81.035,1313 9.167,1314 145.67,1315 145.67,1316 35,1317 13.005,1318 4.644,1319 3.807,1320 69.116,1321 319,1322 352,1323 0.102,1324 315.37,1325 542.79,1326 761.262,1327 175681,1329 31.175,1330 0.693,1331 0.571,1332 31.175,1333 25.699,1334 21.962,1335 0.439,1336 0.308,1337 15.082,1338 20.822,1339 14.791,1340 12.19,1341 21.962,1342 15.381,1343 19.539,1344 0.283,1345 0.162,1346 19.539,1347 11.182,1348 16.639,1349 0.183,1350 0.089,1351 16.639,1352 8.07,1353 13.754,1354 0.117,1355 0.046,1356 13.754,1357 5.382,1358 11.279,1359 0.074,1360 0.025,1361 11.279,1362 3.763,1363 0.17,1364 139.38,1365 0.171,1366 40.83,1367 0.256,1368 238,1369 705.366,1370 267.732,1371 673.936,1372 928,1373 634,1374 279,1375 693.242,1376 310.818,1377 693.96,1378 1018.74,1379 653,1380 8.495}
{0 CHEMBL589622,1 1.624,2 13.226,3 4.39,4 19.269,5 120.428,6 8.403,7 0.629,8 4.053,9 4.153,10 3.77,11 3.689,12 5.182,13 3.656,14 4.553,15 4.683,16 4.124,17 4.07,18 5.702,19 4.013,20 4.762,21 4.949,22 4.134,23 4.129,24 5.817,25 4.058,26 4.738,27 4.946,28 4.089,29 4.084,30 5.821,31 4.009,32 4.728,33 4.918,34 4.091,35 4.094,36 5.864,37 4.017,38 4.689,39 4.851,40 4.05,41 4.119,42 5.771,43 4.018,44 4.694,45 4.895,46 3.866,47 4.046,48 5.682,49 3.918,50 4.617,51 4.853,52 3.649,53 3.863,54 5.604,55 3.716,56 0.034,57 0.733,58 8.762,59 4.468,60 6.563,61 5.171,62 0.265,63 1.201,64 17.578,65 7.895,66 25.104,67 9.069,68 0.271,69 1.49,70 25.127,71 9.477,72 32.01,73 11.438,74 0.209,75 1.463,76 23.728,77 9.227,78 32.764,79 11.493,80 0.365,81 1.433,82 26.707,83 9.591,84 46.764,85 10.772,86 0.278,87 1.358,88 25.253,89 10.07,90 33.401,91 11.204,92 0.217,93 1.324,94 24.002,95 10.049,96 29.297,97 12.45,98 0.305,99 1.199,100 24.652,101 9.885,102 40.574,103 12.826,104 2,105 48,106 0.267,107 0.611,108 0.739,109 0.82,110 0.848,111 0.855,112 3.472,113 0.934,114 -4.44,115 -4.37,116 -4.12,119 47.1,121 1,125 2,135 1,136 1,142 10,143 1,144 2,146 2,149 1,151 1,152 1,159 1,172 10,174 1,175 6,178 2,179 1,180 4,183 10,187 9,192 4,195 5,199 10,204 6,207 5,211 1,212 6,217 4,220 9,224 3,227 2,229 2,232 14,236 1,237 2,245 14,249 2,250 2,253 2,255 2,258 8,263 2,268 3,271 4,275 1657,276 21.585,277 21.585,278 21.585,279 21.585,280 21.585,281 18.667,282 17.561,283 13.04,284 22.13,285 17.363,286 17.363,287 17.363,288 17.363,289 17.363,290 12.959,291 22.902,292 6.279,293 18.224,294 4.049,295 1.956,296 1.176,297 0.681,298 0.51,299 0.471,300 4.186,304 1,305 1,306 918,307 3,310 77.637,311 387.3,314 135.359,318 2.089,319 23.27,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 66,331 410,332 4.624,333 3.562,334 6.731,335 4.141,336 3.193,337 4.553,338 1.656,339 11.011,340 3.028,341 4.161,342 3.241,343 6.107,344 3.768,345 2.792,346 3.776,347 1.151,348 8.933,349 2.725,350 3.973,351 2.839,352 5.766,353 3.611,354 2.643,355 3.478,356 0.247,357 7.813,358 2.551,359 3.911,360 2.689,361 5.567,362 3.469,363 2.505,364 3.336,366 7.629,367 2.409,368 3.759,369 2.543,370 5.323,371 3.355,372 2.39,373 3.176,375 6.922,376 2.301,377 3.404,378 2.384,379 4.691,380 2.948,381 1.953,382 2.657,384 5.114,385 1.929,386 3.131,387 2.234,388 4.665,389 2.713,390 1.79,391 2.326,393 4.788,394 1.648,395 2.966,396 1.568,397 4.402,398 2.434,399 1.5,400 2.172,402 4.229,403 1.406,404 2.842,405 1.535,406 3.715,407 2.352,408 1.374,409 1.973,411 2.994,412 1.325,413 2.546,414 1.519,415 3.569,416 2.122,417 1.235,418 1.566,420 2.918,421 1.08,422 2.5,423 1.458,424 3.453,425 2,426 1.047,427 1.5,428 2.391,429 1,430 2.5,431 1.063,432 3.414,433 2,434 1,435 1.5,436 2.275,437 1,438 2.446,439 1,440 3.337,441 1.969,442 1,443 1.417,445 2.136,446 0.963,447 2.111,448 1,449 3.247,450 1.932,451 1,452 1.045,454 2.136,455 0.904,456 1.961,457 0.676,458 3.247,459 1.438,460 0.55,461 0.772,463 1.5,464 0.479,465 15.1,466 0.487,467 0.585,468 0.019,469 44.25,470 1.427,471 24,472 0.774,473 20.25,474 0.653,475 23.086,476 0.745,477 31.1,478 0.61,479 32.152,480 1.037,481 8.685,482 0.28,483 6.574,484 0.212,485 0.022,487 0.298,493 0.81,494 1.097,495 0.7,496 0.86,497 0.634,498 0.808,499 0.899,500 1.052,501 0.919,502 0.966,503 0.634,504 0.952,505 1.103,506 1.176,507 0.934,508 0.978,509 1.003,510 0.966,511 0.938,512 1.079,513 0.806,514 0.861,515 0.874,516 0.896,517 1.337,518 0.881,519 1.148,520 0.901,521 1.596,522 0.859,523 1.063,524 1.02,525 1.326,526 1.253,527 1.34,528 1.164,529 0.76,530 1.056,531 1.094,532 1.157,533 0.721,534 1.201,535 0.532,536 0.937,537 0.946,538 1.067,539 0.489,540 1.105,541 5,542 0.129,543 2.667,544 1.5,545 1.359,546 1.066,547 0.562,548 0.202,549 0.206,550 0.205,551 14950,552 40244,553 2.2,554 39.2,556 15,557 1,559 2,561 2,564 1.733,565 2.138,566 3.644,567 0.193,569 1,573 82.816,574 1.624,575 3.717,576 4.496,577 4.991,578 5.163,579 5.202,580 3.075,581 4.503,582 4.923,583 3.843,584 1786.77,585 8.582,586 26132.2,588 1,591 289.294,592 1.058,593 4.918,594 0.143,595 0.006,596 0.056,597 0.032,598 0.03,599 0.024,600 0.013,601 0.006,602 0.007,603 0.009,604 0.325,605 0.17,606 0.88,607 0.32,608 163.032,609 -0.057,610 -0.053,611 0.058,612 0.031,613 -0.068,614 0.04,615 0.109,616 -0.024,617 -0.033,618 -0.023,619 0.078,620 -0.068,621 -0.118,622 -0.152,623 -0.011,624 -0.046,625 -0.084,626 -0.032,627 -0.067,628 -0.041,629 0.083,630 0.041,631 0.06,632 0.048,633 -0.169,634 0.178,635 -0.081,636 0.104,637 -0.11,638 0.078,639 -0.089,640 -0.013,641 -0.247,642 -0.194,643 -0.168,644 -0.21,645 0.005,646 -0.106,647 -0.149,648 -0.175,649 -0.06,650 -0.201,651 0.253,652 -0.034,653 0.028,654 -0.073,655 0.207,656 -0.045,657 1.955,658 5.211,659 0.871,660 34.918,661 1.004,662 1.111,663 3.21,664 10.302,665 0.719,666 3.584,667 3.892,668 4.174,669 4.466,670 4.7,671 4.787,672 4.977,673 5.112,674 5.176,675 5.303,676 7.685,677 0.685,678 428.55,679 3.584,680 5.118,681 5.969,682 6.843,683 7.71,684 8.592,685 9.469,686 10.356,687 11.239,688 12.13,689 7.8,696 2,699 2,703 2,704 11,705 2,708 1,709 5,711 22,731 51,733 24,734 2,735 35,737 55,738 24,739 18,740 3,741 9,742 2,746 5,747 6,751 1,755 1,758 1,761 21,762 3,766 2,771 1,773 1,775 2,778 1,781 20,782 6,783 2,784 7,785 1,790 4,794 0.8,795 2,806 1,811 1,812 4,815 1,831 1,832 1,839 1,840 4,842 1,848 31,854 3,855 2,856 1,865 1,870 3.9,873 1,874 1,877 14.5,878 9.15,879 6.778,880 2.992,881 4.237,882 1.524,883 1.041,884 5.743,885 12.328,886 3.892,887 4.503,888 5.11,889 5.741,890 6.294,891 6.639,892 7.141,893 7.586,894 7.881,895 8.308,896 0.889,897 47,898 11.436,900 4.893,901 7.656,902 21.977,904 18.167,905 2.156,906 66.833,909 1,910 211.88,911 179.02,912 69.593,914 36.145,916 31.278,917 147.742,918 248.025,919 69.593,921 47.741,922 111.888,923 69.716,924 19.113,925 16.793,926 231.386,928 211.88,929 217.335,930 36.145,931 31.278,933 190.666,934 48.687,935 11,937 52.642,938 119.318,939 43.047,940 31.278,941 211.88,942 105.737,943 179.02,946 211.88,947 67.132,948 111.888,949 36.022,950 69.716,951 211.88,952 105.737,953 179.02,955 0.573,956 0.332,957 0.188,958 0.103,959 24,960 9,961 0.073,962 4,963 1,964 1.074,965 4.408,966 282.73,967 0.074,968 27,969 145.58,970 1,974 19.86,975 8.965,976 4.505,977 2.051,978 105.737,979 20.964,980 9.638,983 1.66,984 3.998,986 36.022,987 496.637,988 48,993 12.211,995 2.104,997 0.918,999 51.207,1000 56.654,1001 0.286,1002 0.655,1003 0.793,1004 0.88,1005 0.91,1006 0.917,1007 5.109,1008 1.5,1009 5.927,1010 4.788,1011 4.575,1012 5.19,1013 2.134,1014 6.713,1015 4.485,1016 6.309,1017 1.374,1018 7.459,1019 4.229,1020 4.007,1021 4.89,1022 1.195,1023 7.535,1024 3.902,1025 7.607,1026 1.235,1027 9.092,1028 2.994,1029 6.133,1030 7.403,1031 2.688,1032 10.664,1033 5.966,1034 8.943,1035 1.047,1036 10.788,1037 2.918,1038 6.431,1039 7.988,1040 2.324,1041 12.369,1042 6.231,1043 10.313,1044 1,1045 12.527,1046 2.391,1047 7.974,1048 9.922,1049 3.41,1050 14.992,1051 7.726,1052 11.708,1053 1,1054 14.296,1055 2.275,1056 8.689,1057 10.949,1058 3.407,1059 17.074,1060 8.393,1061 13.122,1062 1,1063 16.087,1064 2.136,1065 9.983,1066 12.633,1067 4.248,1068 19.531,1069 9.643,1070 3.193,1071 0.55,1072 17.894,1073 2.136,1074 10.908,1075 13.893,1076 4.464,1077 21.781,1078 10.512,1079 2.792,1080 11.011,1081 19.716,1082 1.5,1083 12.097,1084 15.467,1085 5.159,1086 24.185,1087 11.656,1088 2.643,1089 8.933,1090 21.548,1091 4.553,1092 13.129,1093 16.85,1094 5.504,1095 26.512,1096 12.629,1097 2.505,1098 7.813,1099 23.39,1100 3.776,1101 14.278,1102 18.38,1103 6.115,1104 28.903,1105 13.73,1106 2.39,1107 7.629,1108 25.24,1109 3.478,1110 15.364,1111 19.825,1112 6.531,1113 31.265,1114 14.756,1115 1.953,1116 6.922,1117 27.096,1118 3.336,1119 16.503,1120 21.339,1121 7.095,1122 33.655,1123 15.842,1124 1.79,1125 5.114,1126 28.958,1127 3.176,1128 17.617,1129 22.817,1130 7.551,1131 36.034,1132 16.898,1133 13700,1134 22634,1135 24.444,1136 36.671,1137 52.527,1138 53.426,1139 52.493,1140 51.991,1141 52.08,1142 70.662,1143 6.108,1144 145.953,1145 49.63,1146 5.545,1147 5.562,1148 6.533,1149 5.24,1150 5.193,1151 7.553,1152 2.912,1153 18.221,1154 5.028,1155 7.327,1156 1.501,1157 1.526,1158 1.5,1159 1.485,1160 1.488,1161 2.019,1162 0.175,1163 4.17,1164 1.418,1165 4.096,1166 4.117,1167 4.32,1168 4.069,1169 7.431,1170 4.032,1171 3.917,1172 3.951,1173 3.892,1174 3.845,1175 5.058,1176 3.836,1177 3.858,1178 3.887,1179 3.812,1180 3.806,1181 4.773,1182 3.797,1183 3.742,1184 3.772,1185 3.692,1186 3.634,1187 4.703,1188 3.621,1189 3.436,1190 3.477,1191 3.43,1192 3.199,1193 4.653,1194 3.232,1195 3.212,1196 3.258,1197 3.254,1198 3.027,1199 4.299,1200 3.048,1201 3.041,1202 3.13,1203 2.921,1204 2.883,1205 4.036,1206 2.861,1207 2.951,1208 3.001,1209 2.791,1210 2.779,1211 3.954,1212 2.781,1213 0.132,1214 0.102,1215 0.192,1216 0.118,1217 0.091,1218 4.624,1219 0.13,1220 3.562,1221 0.047,1222 6.731,1223 0.315,1224 4.141,1225 0.087,1226 3.193,1227 4.553,1228 1.656,1229 11.011,1230 3.028,1231 1.961,1232 1.935,1233 2.037,1234 2.068,1235 1.239,1236 2.06,1237 1.887,1238 1.856,1239 2.008,1240 1.997,1241 1.105,1242 2,1243 1.83,1244 1.805,1245 1.96,1246 1.941,1247 1.059,1248 1.95,1249 1.609,1250 1.573,1251 1.718,1252 1.78,1253 0.862,1254 1.764,1255 1.378,1256 1.372,1257 1.44,1258 1.563,1259 0.681,1260 1.525,1261 1.268,1262 1.226,1263 1.417,1264 1.428,1265 0.619,1266 1.485,1267 1.078,1268 0.993,1269 1.363,1270 1.295,1271 0.365,1272 1.347,1273 0.948,1274 0.909,1275 1.181,1276 1.12,1277 0.239,1278 1.126,1279 4.263,1281 5.572,1282 2.398,1283 7.079,1284 4.595,1285 8.675,1286 6.605,1287 10.32,1295 2.18,1296 5.653,1297 5.456,1305 34.917,1306 82.816,1307 189.545,1308 229.32,1309 254.539,1310 263.294,1311 265.294,1312 40.818,1313 8.091,1314 76.14,1315 104.38,1316 29,1317 12.66,1318 4.644,1319 3.807,1320 43.857,1321 143,1322 150,1323 0.147,1324 215.191,1325 366.77,1326 516.827,1327 40932,1329 21.045,1330 0.679,1331 0.564,1332 21.399,1333 17.485,1334 15.259,1335 0.436,1336 0.311,1337 9.981,1338 14.323,1339 9.717,1340 8.014,1341 15.713,1342 10.9,1343 13.51,1344 0.281,1345 0.167,1346 14.067,1347 8.024,1348 11.458,1349 0.179,1350 0.092,1351 12.147,1352 5.914,1353 9.973,1354 0.116,1355 0.05,1356 10.757,1357 4.326,1358 8.064,1359 0.074,1360 0.026,1361 8.66,1362 2.842,1363 0.236,1364 99.307,1365 0.202,1366 29.539,1367 0.391,1368 166,1369 472.287,1370 201.812,1371 481.27,1372 667.68,1373 454,1374 195,1375 480.814,1376 228.411,1377 502.872,1378 739.11,1379 475,1380 7.553}
{0 CHEMBL589858,1 1.856,2 11.226,3 2.439,4 5.95,5 106.052,6 8.649,7 0.471,8 4.054,9 4.171,10 3.727,11 3.512,12 5.261,13 3.552,14 4.614,15 4.777,16 4.166,17 3.885,18 6.225,19 3.918,20 4.774,21 4.971,22 4.11,23 4.001,24 6.012,25 3.997,26 4.776,27 4.976,28 4.146,29 4.01,30 6.078,31 4.008,32 4.783,33 4.977,34 4.207,35 4.025,36 6.134,37 4.034,38 4.793,39 4.981,40 4.113,41 4.036,42 6.004,43 4.026,44 4.831,45 5.042,46 4.083,47 3.993,48 6.094,49 3.964,50 4.784,51 5.01,52 3.995,53 3.875,54 6.076,55 3.839,56 0.252,57 0.995,58 7.658,59 4.19,60 29.518,61 4.693,62 1.133,63 1.834,64 18.406,65 6.877,66 154.855,67 8.008,68 0.998,69 1.619,70 23.51,71 7.909,72 95.4,73 9.868,74 0.85,75 1.686,76 22.321,77 7.644,78 85.838,79 10.017,80 0.846,81 1.837,82 22.702,83 8.405,84 84.344,85 10.632,86 0.798,87 1.763,88 21.833,89 8.607,90 83.317,91 10.173,92 0.948,93 1.76,94 24.594,95 8.747,96 80.031,97 11.345,98 0.797,99 1.745,100 25.457,101 10.099,102 77.966,103 12.704,104 35,105 49,106 0.31,107 0.709,108 0.845,109 0.859,110 0.859,111 0.859,112 3.472,113 0.839,114 -3.97,115 -3.92,116 -3.72,119 40,121 1,124 1,125 3,132 1,135 1,136 1,142 4,143 2,144 1,145 1,146 1,149 1,159 1,161 1,166 1,172 6,174 2,175 9,178 2,179 1,180 2,183 6,186 1,187 7,192 2,195 4,198 2,199 10,204 3,207 2,211 1,212 12,217 2,220 6,224 5,227 2,229 1,232 8,236 3,237 3,245 4,249 2,250 2,253 3,255 2,263 2,266 1,268 2,275 1690,276 20.627,277 20.627,278 20.627,279 20.627,280 20.627,281 18.468,282 19.738,283 12.042,284 21.357,285 16.773,286 16.773,287 16.773,288 16.773,289 16.773,290 13.317,291 19.672,292 5.718,293 17.982,294 3.788,295 1.406,296 0.59,297 0.51,298 0.51,299 0.51,300 4.165,304 1,305 1,306 743,307 4,310 73.217,311 266.971,314 129.922,318 1.767,319 50.945,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 71.5,331 348,332 4.695,333 4.269,334 6.856,335 4.233,336 3.288,337 4.646,338 3.02,339 11.454,340 3.138,341 4.201,342 3.54,343 6.458,344 3.928,345 3.09,346 3.793,347 1.656,348 10.182,349 2.74,350 4.135,351 3.291,352 6.107,353 3.767,354 2.789,355 3.504,356 1.151,357 8.937,358 2.631,359 3.949,360 2.874,361 6.039,362 3.564,363 2.622,364 3.196,365 0.247,366 8.65,367 2.425,368 3.825,369 2.786,370 5.465,371 3.481,372 2.519,373 3.076,375 7.315,376 2.353,377 3.46,378 2.429,379 5.091,380 3.039,381 2.057,382 2.695,384 5.742,385 2.006,386 3.287,387 2.333,388 4.781,389 2.877,390 1.934,391 2.507,393 5.326,394 1.807,395 2.961,396 1.862,397 4.421,398 2.441,399 1.493,400 2.165,402 4.264,403 1.412,404 2.712,405 1.535,406 4.341,407 2.349,408 1.44,409 1.788,411 3.843,412 1.297,413 2.5,414 1.465,415 3.761,416 2.075,417 1.155,418 1.5,420 2.905,421 1.056,422 2.489,423 1.287,424 3.433,425 2,426 1,427 1.478,428 2.275,429 1,430 2.233,431 1.1,432 3.414,433 1.969,434 1,435 1.103,436 2.136,437 0.963,438 2.029,439 1,440 3.247,441 1.71,442 0.788,443 0.997,445 2.042,446 0.722,447 1.52,448 0.91,449 3.12,450 1.33,451 0.404,452 0.432,454 0.63,455 0.372,456 1.331,457 0.51,458 2.892,459 0.932,460 -0.039,461 -0.049,463 -0.091,464 -0.037,465 13.924,466 0.449,467 0.921,468 0.03,469 38.75,470 1.25,471 17.5,472 0.565,473 21.25,474 0.685,475 25.76,476 0.831,477 34.676,478 0.694,479 34.133,480 1.101,481 8.042,482 0.259,483 6.794,484 0.219,485 0.121,486 0.036,487 0.316,490 3,493 0.648,494 1.126,495 0.629,496 1.143,497 0.582,498 0.946,499 0.6,500 0.779,501 0.72,502 0.88,503 0.409,504 0.861,505 0.87,506 0.821,507 0.971,508 0.892,509 0.848,510 0.951,511 0.652,512 0.792,513 0.864,514 0.934,515 0.625,516 0.964,517 0.695,518 0.963,519 0.747,520 1,521 0.685,522 0.924,523 0.864,524 1.015,525 1.044,526 1.142,527 0.789,528 1.153,529 0.668,530 0.897,531 0.969,532 1.119,533 0.59,534 1.157,535 0.695,536 1.19,537 0.788,538 1.339,539 0.715,540 1.195,541 7.5,542 0.277,543 3.333,544 1.882,545 1.728,546 1.612,547 0.85,548 0.611,549 0.461,550 0.272,551 11981,552 44222,553 2.057,554 38,556 14,558 1,559 2,561 2,564 1.742,565 1.908,566 3.403,567 0.321,568 1,569 1,573 92.779,574 1.856,575 4.237,576 5.054,577 5.134,578 5.134,579 5.134,580 2.882,581 4.478,582 4.917,583 3.621,584 1683.73,585 8.628,586 23605.6,588 1,590 1,591 282.193,592 1.595,593 4.87,594 0.221,595 0.012,596 0.068,597 0.039,598 0.035,599 0.031,600 0.018,601 0.014,602 0.012,603 0.008,604 0.459,605 0.33,606 1,607 1.254,608 159.597,609 -0.053,610 -0.136,611 0.033,612 -0.086,613 -0.081,614 -0.013,615 0.288,616 0.238,617 0.122,618 0.114,619 0.373,620 0.06,621 -0.075,622 0.095,623 -0.091,624 0.088,625 -0.102,626 0.015,627 0.005,628 0.048,629 -0.016,630 0.014,631 0.008,632 -0.004,633 0.05,634 -0.045,635 0.124,636 0.001,637 0.052,638 0.066,639 -0.13,640 -0.083,641 -0.202,642 -0.144,643 -0.101,644 -0.182,645 0.072,646 -0.022,647 -0.065,648 -0.144,649 0.041,650 -0.162,651 0.125,652 -0.283,653 0.2,654 -0.291,655 0.112,656 -0.106,657 5.685,658 5.032,659 0.677,660 34.117,661 1.037,662 1.155,663 2.741,664 7.513,665 0.657,666 3.555,667 3.912,668 4.143,669 4.454,670 4.736,671 4.898,672 5.142,673 5.308,674 5.416,675 5.521,676 6.735,677 0.658,678 432.45,679 3.555,680 5.118,681 5.964,682 6.864,683 7.736,684 8.644,685 9.531,686 10.444,687 11.341,688 12.257,689 12,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,731 50,733 18,734 1,735 34,737 53,738 20,739 11,740 2,741 4,742 2,746 4,747 5,751 1,752 1,755 1,757 1,758 1,761 14,762 6,766 2,771 1,773 1,775 2,778 1,779 3,781 19,782 10,783 2,784 11,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,831 1,832 1,839 1,840 3,844 1,846 3,848 31,854 4,855 2,856 1,860 1,869 3,870 4,873 1,874 1,877 16.25,878 9.312,879 6.681,880 2.849,881 3.333,882 1.423,883 0.998,884 5.946,885 11.22,886 3.807,887 4.428,888 5.015,889 5.67,890 6.269,891 6.726,892 7.27,893 7.736,894 8.085,895 8.482,896 1,897 48,898 11.907,900 5.561,901 8.245,902 20.984,904 17.055,905 2.745,906 85.083,909 1,910 200.109,911 109.186,912 88.032,914 36.145,915 44.88,917 109.186,918 236.254,919 132.912,920 8.396,921 49.847,922 47.381,923 99.865,924 72.49,925 4.276,926 188.338,927 7.76,928 200.109,929 197.218,930 81.025,933 178.894,934 93.567,935 11,937 72.902,938 62.278,939 59.71,941 244.989,942 124.177,943 109.186,946 207.868,947 36.602,948 66.602,949 36.022,950 131.259,951 200.109,952 169.057,953 109.186,955 0.587,956 0.318,957 0.172,958 0.102,959 24,960 11,961 0.075,962 4,963 1,964 1.095,965 4.102,966 287.946,967 0.095,968 21,969 144.825,974 21.29,975 8.657,976 4.869,977 0.566,978 167.281,979 8.085,980 12.934,984 1.964,985 0.839,986 36.022,987 478.352,988 44,993 11.459,995 1.868,997 0.513,999 51.872,1000 57.749,1001 0.329,1002 0.751,1003 0.895,1004 0.91,1005 0.91,1006 0.91,1007 5.069,1008 1.493,1009 5.989,1010 5.326,1011 4.595,1012 5.115,1013 3.097,1014 6.836,1015 4.469,1016 6.303,1017 1.44,1018 7.571,1019 4.264,1020 4.369,1021 5.056,1022 3.176,1023 7.941,1024 4.112,1025 7.636,1026 1.155,1027 9.256,1028 3.843,1029 6.267,1030 7.359,1031 4.685,1032 10.957,1033 6.011,1034 9.003,1035 1,1036 11.002,1037 2.905,1038 6.815,1039 8.107,1040 5.504,1041 12.827,1042 6.432,1043 10.401,1044 1,1045 12.785,1046 2.275,1047 8.237,1048 9.931,1049 6.7,1050 15.424,1051 7.839,1052 11.819,1053 0.788,1054 14.593,1055 2.136,1056 9.116,1057 11.07,1058 7.734,1059 17.596,1060 8.615,1061 13.254,1062 0.404,1063 16.419,1064 2.042,1065 10.363,1066 12.706,1067 8.86,1068 20.058,1069 9.829,1070 3.288,1071 -0.039,1072 18.258,1073 0.63,1074 11.393,1075 14.044,1076 9.948,1077 22.36,1078 10.778,1079 3.09,1080 11.454,1081 20.108,1082 -0.091,1083 12.576,1084 15.605,1085 11.057,1086 24.782,1087 11.919,1088 2.789,1089 10.182,1090 21.966,1091 4.646,1092 13.674,1093 17.042,1094 12.158,1095 27.143,1096 12.953,1097 2.622,1098 8.937,1099 23.83,1100 3.793,1101 14.837,1102 18.578,1103 13.264,1104 29.555,1105 14.071,1106 2.519,1107 8.65,1108 25.701,1109 3.504,1110 15.969,1111 20.063,1112 14.368,1113 31.945,1114 15.148,1115 2.057,1116 7.315,1117 27.576,1118 3.196,1119 17.129,1120 21.592,1121 15.474,1122 34.359,1123 16.263,1124 1.934,1125 5.742,1126 29.456,1127 3.076,1128 18.278,1129 23.101,1130 16.579,1131 36.765,1132 17.364,1133 11674,1134 22626,1135 22.364,1136 32.847,1137 51.832,1138 52.359,1139 52.383,1140 51.338,1141 51.155,1142 65.758,1143 12.148,1144 151.4,1145 47.844,1146 5.616,1147 6.269,1148 6.658,1149 5.309,1150 5.288,1151 7.646,1152 4.53,1153 18.909,1154 5.138,1155 16.857,1156 1.524,1157 1.54,1158 1.541,1159 1.51,1160 1.505,1161 1.934,1162 0.357,1163 4.453,1164 1.407,1165 4.132,1166 4.178,1167 4.114,1168 3.992,1169 8.513,1170 4.015,1171 3.893,1172 3.93,1173 3.841,1174 3.806,1175 7.999,1176 3.809,1177 3.77,1178 3.812,1179 3.685,1180 3.603,1181 7.999,1182 3.616,1183 3.571,1184 3.635,1185 3.525,1186 3.279,1187 7.431,1188 3.325,1189 3.501,1190 3.557,1191 3.45,1192 3.214,1193 5.134,1194 3.257,1195 3.207,1196 3.28,1197 3.16,1198 2.987,1199 4.751,1200 3.01,1201 3.052,1202 3.137,1203 2.917,1204 2.881,1205 4.673,1206 2.858,1207 3.012,1208 3.093,1209 2.797,1210 2.735,1211 4.471,1212 2.755,1213 0.138,1214 0.126,1215 0.202,1216 0.124,1217 0.097,1218 4.695,1219 0.137,1220 4.269,1221 0.089,1222 6.856,1223 0.337,1224 4.233,1225 0.092,1226 3.288,1227 4.646,1228 3.02,1229 11.454,1230 3.138,1231 1.966,1232 1.938,1233 2.042,1234 2.088,1235 1.244,1236 2.072,1237 1.84,1238 1.812,1239 1.967,1240 1.962,1241 1.106,1242 1.963,1243 1.639,1244 1.592,1245 1.762,1246 1.89,1247 0.969,1248 1.851,1249 1.485,1250 1.423,1251 1.696,1252 1.767,1253 0.788,1254 1.739,1255 1.423,1256 1.349,1257 1.627,1258 1.698,1259 0.688,1260 1.685,1261 1.115,1262 1.052,1263 1.43,1264 1.41,1265 0.673,1266 1.357,1267 1.079,1268 0.993,1269 1.285,1270 1.315,1271 0.323,1272 1.347,1273 0.965,1274 0.891,1275 1.181,1276 1.296,1277 0.243,1278 1.275,1279 4.234,1281 5.58,1282 2.398,1283 7.107,1284 4.727,1285 8.718,1286 6.843,1287 10.378,1289 1.503,1291 39.095,1295 0.254,1296 5.093,1297 5.344,1301 -4.435,1305 32.922,1306 92.779,1307 211.874,1308 252.683,1309 256.683,1310 256.683,1311 256.683,1312 64.719,1313 7.886,1314 93.96,1315 93.96,1316 23,1317 12.772,1318 4.248,1319 3.459,1320 49.152,1321 122,1322 154,1323 0.196,1324 199.05,1325 350.45,1326 477.442,1327 27007,1328 6,1329 22.01,1330 0.71,1331 0.533,1332 19.51,1333 16.532,1334 14.837,1335 0.436,1336 0.28,1337 9.264,1338 13.894,1339 9.139,1340 7.485,1341 13.69,1342 9.505,1343 14.253,1344 0.291,1345 0.141,1346 11.897,1347 6.886,1348 10.847,1349 0.175,1350 0.076,1351 10.496,1352 4.721,1353 9.214,1354 0.108,1355 0.038,1356 8.68,1357 3.253,1358 7.808,1359 0.069,1360 0.02,1361 7.242,1362 2.254,1363 0.304,1364 95.659,1365 0.211,1366 28.815,1367 0.554,1368 166,1369 723.051,1370 200.071,1371 608.316,1372 799.21,1373 566,1374 194,1375 565.383,1376 220.801,1377 546.96,1378 819.93,1379 514,1380 6.699}
{0 CHEMBL589864,1 1.838,2 9.423,3 1.155,4 1.334,5 95.091,6 8.511,7 0.552,8 3.932,9 4.037,10 3.764,11 3.439,12 5.006,13 3.432,14 4.493,15 4.65,16 4.009,17 3.802,18 5.82,19 3.795,20 4.68,21 4.878,22 3.97,23 3.894,24 5.801,25 3.852,26 4.626,27 4.842,28 3.983,29 3.893,30 5.714,31 3.839,32 4.648,33 4.843,34 3.99,35 3.92,36 5.793,37 3.871,38 4.692,39 4.904,40 3.952,41 3.901,42 5.777,43 3.847,44 4.617,45 4.832,46 3.81,47 3.767,48 5.826,49 3.683,50 4.442,51 4.689,52 3.602,53 3.581,54 5.414,55 3.473,56 0.148,57 0.75,58 10.298,59 3.856,60 17.794,61 4.402,62 0.59,63 1.15,64 20.636,65 6.598,66 61.927,67 7.707,68 0.695,69 1.283,70 22.881,71 7.363,72 64.164,73 9.267,74 0.45,75 1.29,76 23.277,77 7.541,78 37.825,79 9.925,80 0.53,81 1.287,82 21.976,83 7.572,84 50.123,85 9.624,86 0.546,87 1.307,88 24.15,89 7.22,90 48.319,91 9.866,92 0.681,93 1.134,94 21.676,95 7.257,96 65.262,97 9.726,98 0.412,99 0.932,100 21.188,101 6.482,102 34.655,103 8.952,104 12,105 42,106 0.315,107 0.662,108 0.801,109 0.832,110 0.832,111 0.832,112 3.305,113 1.035,114 -3.04,115 -3.04,116 -2.93,119 36.4,124 1,125 4,142 4,143 1,144 1,147 1,149 2,152 1,160 1,172 4,174 4,175 2,178 3,180 2,183 4,186 1,187 4,190 3,192 2,195 2,198 3,199 8,204 1,211 1,212 10,215 2,217 1,224 4,227 1,229 2,236 6,237 3,240 2,242 1,250 2,254 1,255 1,262 4,263 1,275 986,276 17.394,277 17.394,278 17.394,279 17.394,280 17.394,281 15.252,282 15.328,283 10.25,284 18.001,285 14.402,286 14.402,287 14.402,288 14.402,289 14.402,290 11.051,291 18.337,292 4.936,293 15.403,294 3.621,295 1.6,296 0.79,297 0.608,298 0.608,299 0.608,300 4.001,304 1,305 1,306 532,307 3.24,310 56.806,311 209.571,314 99.023,318 1.423,319 32.169,322 1,323 0.83,324 1,325 0.8,327 1,328 1,329 0.8,330 58,331 245,332 4.647,333 4.311,334 6.732,335 4.14,336 3.198,337 4.531,338 0.86,339 11.014,340 3.011,341 4.601,342 3.305,343 6.459,344 4.072,345 3.137,346 4.441,347 0.8,348 10.209,349 2.918,350 4.147,351 2.868,352 6.122,353 3.734,354 2.764,355 3.779,357 9.013,358 2.676,359 3.738,360 2.685,361 5.766,362 3.422,363 2.504,364 3.076,366 7.814,367 2.295,368 3.602,369 2.344,370 5.207,371 3.157,372 2.199,373 2.988,375 6.546,376 2.102,377 3.015,378 2.233,379 4.679,380 2.693,381 1.79,382 2.152,384 4.788,385 1.612,386 2.946,387 1.557,388 4.377,389 2.431,390 1.48,391 2.091,393 4.147,394 1.405,395 2.661,396 1.533,397 3.716,398 2.162,399 1.248,400 1.735,402 2.933,403 1.148,404 2.5,405 1.256,406 3.495,407 2.082,408 1.157,409 1.5,411 2.589,412 1.053,413 2.373,414 1.187,415 3.444,416 1.952,417 1,418 1.358,420 2.34,421 0.946,422 2,423 1,424 3.327,425 1.935,426 1,427 1,428 2.136,429 0.933,430 1.929,431 0.734,432 3.247,433 1.432,434 0.529,435 0.728,436 1.45,437 0.477,438 1.2,439 0.595,440 3.088,441 0.86,442 -0.101,443 -0.122,445 -0.29,446 -0.096,447 1,448 -0.076,449 2.706,450 0.516,451 -0.407,452 -0.512,454 -1.108,455 -0.373,456 0.969,457 -0.295,458 2.539,459 0.366,460 -0.596,461 -0.753,463 -1.595,464 -0.571,465 12.233,466 0.471,467 0.764,468 0.029,469 36.5,470 1.404,471 18,472 0.692,473 18.5,474 0.712,475 19.158,476 0.737,477 28.567,478 0.649,479 26.861,480 1.033,481 6.99,482 0.269,483 5.504,484 0.212,485 0.095,486 0.068,487 0.278,493 0.712,494 1.628,495 0.779,496 1.35,497 0.685,498 0.975,499 0.927,500 1.096,501 1.067,502 1.058,503 0.549,504 0.894,505 1.225,506 0.964,507 0.886,508 0.751,509 1.214,510 0.922,511 0.707,512 1.077,513 0.866,514 0.946,515 0.536,516 0.913,517 0.937,518 1.039,519 0.899,520 0.921,521 0.959,522 0.991,523 0.942,524 1.113,525 0.938,526 1,527 0.814,528 1.055,529 0.743,530 0.956,531 0.893,532 0.96,533 0.675,534 1.155,535 0.764,536 0.962,537 0.828,538 0.99,539 0.656,540 1.019,541 6,542 0.147,543 2.444,544 1.563,545 1.368,546 0.962,547 0.627,548 0.28,549 0.263,550 0.263,551 7594,552 24357,553 2.115,554 40.9,556 15,558 1,559 2,564 1.695,565 1.987,566 3.218,567 0.403,568 1,569 1,573 80.892,574 1.838,575 3.859,576 4.67,577 4.851,578 4.851,579 4.851,580 2.676,581 4.133,582 4.672,583 3.383,584 1099.54,585 8.12,586 13397.4,588 1,591 240.215,592 1.508,593 4.629,594 0.207,595 0.009,596 0.058,597 0.04,598 0.034,599 0.024,600 0.017,601 0.009,602 0.011,603 0.014,604 0.424,605 0.33,606 1,607 0.902,608 125.424,609 0.002,610 -0.369,611 0.213,612 -0.174,613 -0.151,614 -0.017,615 0.094,616 0.03,617 -0.096,618 -0.036,619 0.286,620 0.022,621 -0.198,622 0.037,623 -0.081,624 0.106,625 -0.198,626 -0.001,627 -0.016,628 -0.019,629 0.034,630 0.006,631 0.054,632 0.063,633 -0.098,634 0.007,635 -0.07,636 -0.005,637 -0.089,638 -0.041,639 -0.128,640 -0.085,641 -0.095,642 -0.105,643 -0.094,644 -0.105,645 0.171,646 0.02,647 -0.065,648 -0.094,649 0.106,650 -0.205,651 0.012,652 -0.044,653 0.129,654 -0.028,655 -0.001,656 0.015,657 4.274,658 4.474,659 0.808,660 20.923,661 1.022,662 1.137,663 1.808,664 3.27,665 0.673,666 3.401,667 3.761,668 3.989,669 4.317,670 4.554,671 4.682,672 4.883,673 5.011,674 5.069,675 5.147,676 5.786,677 0.65,678 374.47,679 3.401,680 4.963,681 5.808,682 6.711,683 7.577,684 8.484,685 9.362,686 10.27,687 11.155,688 12.063,689 13.6,694 1,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,731 44,733 18,734 1,735 29,737 47,738 16,739 11,740 2,741 4,746 4,747 5,761 11,762 5,766 2,769 1,771 2,777 1,778 1,781 18,782 8,783 2,784 10,785 1,787 1,790 6,794 0.75,795 3,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 26,852 1,854 4,855 1,856 1,859 1,870 6.8,873 2,874 1,877 13.083,878 8.133,879 5.486,880 2.449,881 3.303,882 1.439,883 1.02,884 4.527,885 10.832,886 3.689,887 4.353,888 4.867,889 5.535,890 6.085,891 6.503,892 7.014,893 7.458,894 7.739,895 8.123,896 1,897 39,898 9.76,900 4.375,901 7.901,902 18.195,904 15.16,905 2.401,906 62.417,910 188.338,911 87.375,912 86.671,914 55.313,916 5.807,917 81.568,918 243.65,919 86.671,920 7.19,921 13.396,922 43.712,923 142.464,924 29.895,925 4.472,926 176.567,928 188.338,929 168.239,930 55.313,931 5.807,933 192.381,934 44.313,935 11,937 38.8,938 58.634,939 72.569,941 188.338,942 141.984,943 87.375,945 5.807,946 188.338,947 27.854,948 56.838,949 33.191,950 105.669,951 188.338,952 141.984,953 87.375,955 0.588,956 0.316,957 0.182,958 0.101,959 22,960 9,961 0.085,962 4,963 1,964 1.095,965 3.74,966 228.24,967 0.095,968 21,969 116.211,973 1,974 17.218,975 6.836,976 3.827,977 1.346,978 125.199,979 8.576,980 13.491,981 3.096,984 2.428,986 33.191,987 417.697,988 39,991 -3.357,993 22.948,999 44.971,1000 50.029,1001 0.337,1002 0.707,1003 0.855,1004 0.889,1005 0.889,1006 0.889,1007 4.942,1008 1.248,1009 5.832,1010 4.147,1011 4.443,1012 5.04,1013 1.235,1014 6.678,1015 4.316,1016 6.188,1017 1.157,1018 7.409,1019 2.933,1020 4.205,1021 5.156,1022 0.325,1023 7.789,1024 4.014,1025 7.544,1026 1,1027 9.093,1028 2.589,1029 6.116,1030 7.391,1031 0.938,1032 10.796,1033 5.872,1034 8.94,1035 1,1036 10.838,1037 2.34,1038 6.661,1039 8.304,1040 0.268,1041 12.664,1042 6.348,1043 10.369,1044 0.529,1045 12.622,1046 2.136,1047 8.091,1048 10.075,1049 0.732,1050 15.242,1051 7.726,1052 11.821,1053 -0.101,1054 14.43,1055 1.45,1056 8.969,1057 11.314,1058 0.188,1059 17.398,1060 8.534,1061 13.288,1062 -0.407,1063 16.255,1064 -0.29,1065 10.218,1066 12.917,1067 0.57,1068 19.836,1069 9.727,1070 3.198,1071 -0.596,1072 18.092,1073 -1.108,1074 11.243,1075 14.298,1076 0.125,1077 22.112,1078 10.683,1079 3.137,1080 11.014,1081 19.937,1082 -1.595,1083 12.423,1084 15.835,1085 0.438,1086 24.503,1087 11.804,1088 2.764,1089 10.209,1090 21.79,1091 4.531,1092 13.514,1093 17.279,1094 0.082,1095 26.832,1096 12.827,1097 2.504,1098 9.013,1099 23.648,1100 4.441,1101 14.669,1102 18.792,1103 0.334,1104 29.209,1105 13.92,1106 2.199,1107 7.814,1108 25.51,1109 3.779,1110 15.79,1111 20.265,1112 0.054,1113 31.563,1114 14.974,1115 1.79,1116 6.546,1117 27.377,1118 3.076,1119 16.937,1120 21.768,1121 0.252,1122 33.938,1123 16.058,1124 1.48,1125 4.788,1126 29.246,1127 2.988,1128 18.073,1129 23.255,1130 0.035,1131 36.305,1132 17.127,1133 7263,1134 13154,1135 19.474,1136 29.614,1137 44.042,1138 45.593,1139 44.008,1140 43.999,1141 44.011,1142 58.759,1143 3.32,1144 129.956,1145 41.147,1146 5.647,1147 6.311,1148 6.534,1149 5.243,1150 5.198,1151 7.531,1152 1.72,1153 18.224,1154 5.011,1155 11.474,1156 1.519,1157 1.572,1158 1.518,1159 1.517,1160 1.518,1161 2.026,1162 0.114,1163 4.481,1164 1.419,1165 4.113,1166 4.16,1167 4.716,1168 3.995,1169 7.718,1170 3.98,1171 3.986,1172 3.981,1173 4.077,1174 3.883,1175 6.999,1176 3.835,1177 3.784,1178 3.788,1179 3.787,1180 3.725,1181 5.18,1182 3.662,1183 3.722,1184 3.77,1185 3.607,1186 3.492,1187 4.753,1188 3.51,1189 3.256,1190 3.325,1191 3.206,1192 3.043,1193 4.624,1194 3.072,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.449,1200 2.91,1201 2.939,1202 3.005,1203 2.866,1204 2.746,1205 4.043,1206 2.74,1207 2.897,1208 2.979,1209 2.752,1210 2.707,1211 3.877,1212 2.728,1213 0.16,1214 0.149,1215 0.232,1216 0.143,1217 0.11,1218 4.647,1219 0.156,1220 4.311,1221 0.03,1222 6.732,1223 0.38,1224 4.14,1225 0.104,1226 3.198,1227 4.531,1228 0.86,1229 11.014,1230 3.011,1231 1.955,1232 1.932,1233 2.022,1234 2.086,1235 1.217,1236 2.076,1237 1.8,1238 1.773,1239 1.932,1240 1.978,1241 1.128,1242 1.989,1243 1.659,1244 1.674,1245 1.709,1246 1.834,1247 0.938,1248 1.865,1249 1.567,1250 1.521,1251 1.605,1252 1.749,1253 0.825,1254 1.762,1255 1.329,1256 1.244,1257 1.513,1258 1.633,1259 0.811,1260 1.597,1261 1.153,1262 1.064,1263 1.478,1264 1.376,1265 0.374,1266 1.429,1267 0.951,1268 0.907,1269 1.175,1270 1.161,1271 0.247,1272 1.187,1273 0.901,1274 0.828,1275 1.121,1276 1.106,1277 0.235,1278 1.104,1279 4.078,1281 5.425,1282 2.398,1283 6.956,1284 4.595,1285 8.571,1286 6.605,1287 10.233,1289 1.114,1295 2.756,1296 2.469,1297 5.416,1300 2.133,1305 28.621,1306 80.892,1307 169.797,1308 205.46,1309 213.46,1310 213.46,1311 213.46,1312 42.407,1313 7.529,1314 113.1,1315 121.48,1316 23,1317 12.584,1318 4.248,1319 3.459,1320 37.846,1321 89,1322 82,1323 0.208,1324 178.068,1325 295.62,1326 426.246,1327 18167,1329 18.148,1330 0.698,1331 0.575,1332 18.398,1333 14.954,1334 12.494,1335 0.431,1336 0.345,1337 8.106,1338 11.086,1339 7.781,1340 6.395,1341 13.421,1342 10.007,1343 12.206,1344 0.291,1345 0.185,1346 13.588,1347 7.775,1348 9.095,1349 0.172,1350 0.087,1351 9.545,1352 4.608,1353 8.233,1354 0.111,1355 0.047,1356 8.758,1357 3.442,1358 6.608,1359 0.07,1360 0.024,1361 6.976,1362 2.234,1363 0.32,1364 88.913,1365 0.227,1366 24.694,1367 0.595,1368 142,1369 471.313,1370 191.291,1371 468.488,1372 635.2,1373 434,1374 166,1375 445.598,1376 223.256,1377 479.547,1378 696.92,1379 447,1380 5.359}
{0 CHEMBL590073,1 1.652,2 13.364,3 1.822,4 3.318,5 122.215,6 7.956,7 0.595,8 4.162,9 4.292,10 3.792,11 3.627,12 5.305,13 3.647,14 4.689,15 4.868,16 4.14,17 3.998,18 5.813,19 4,20 4.893,21 5.111,22 4.172,23 4.107,24 5.96,25 4.085,26 4.884,27 5.109,28 4.15,29 4.096,30 5.985,31 4.064,32 4.879,33 5.095,34 4.139,35 4.081,36 6.004,37 4.064,38 4.851,39 5.052,40 4.13,41 4.094,42 5.98,43 4.072,44 4.857,45 5.066,46 4.012,47 4.127,48 5.872,49 4.058,50 4.909,51 5.151,52 3.834,53 4.104,54 5.861,55 3.961,56 0.132,57 0.944,58 10.414,59 4.244,60 9.999,61 5.616,62 0.496,63 1.438,64 20.917,65 6.835,66 32.043,67 9.434,68 0.629,69 1.645,70 28.164,71 8.19,72 45.892,73 11.849,74 0.518,75 1.64,76 27.396,77 8.366,78 43.774,79 12.265,80 0.563,81 1.589,82 27.683,83 7.782,84 57.43,85 11.298,86 0.646,87 1.603,88 25.625,89 7.374,90 53.345,91 10.357,92 0.547,93 1.584,94 25.632,95 8.471,96 36.522,97 12.06,98 0.442,99 1.502,100 29.335,101 11.682,102 48.873,103 16.676,104 6,105 51,106 0.268,107 0.631,108 0.757,109 0.806,110 0.812,111 0.817,112 3.532,113 0.87,114 -3.9,115 -3.86,116 -3.66,119 39.3,120 1,125 5,142 6,143 1,144 2,145 2,146 1,147 1,149 1,159 1,161 1,166 2,172 4,174 4,175 5,178 2,179 1,180 4,183 5,186 5,187 5,192 2,195 2,198 5,199 12,202 1,204 5,211 1,212 8,217 2,223 2,224 11,227 3,229 1,232 5,236 3,237 5,245 6,249 2,250 4,253 4,258 4,263 5,266 2,275 2013,276 22.955,277 22.955,278 22.955,279 22.955,280 22.955,281 20.291,282 26.921,283 13.737,284 23.632,285 18.268,286 18.268,287 18.268,288 18.268,289 18.268,290 14.157,291 35.692,292 6.508,293 19.3,294 4.155,295 1.913,296 1.139,297 0.835,298 0.799,299 0.763,300 4.244,304 1,305 1,306 978,307 3.24,310 82.429,311 415.033,314 144.403,318 2.088,319 30.075,322 0.75,323 0.83,324 0.83,325 0.7,327 0.83,328 1,329 0.71,330 72.5,331 441,332 4.673,333 3.562,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.172,342 3.348,343 6.11,344 3.777,345 2.801,346 3.792,347 0.86,348 8.946,349 2.731,350 3.976,351 2.906,352 6.095,353 3.61,354 2.671,355 3.479,356 0.8,357 8.804,358 2.542,359 3.899,360 2.796,361 5.568,362 3.59,363 2.643,364 3.303,365 0.247,366 7.635,367 2.456,368 3.757,369 2.548,370 5.323,371 3.365,372 2.401,373 3.138,375 6.925,376 2.313,377 3.405,378 2.414,379 5.12,380 2.962,381 2.005,382 2.655,384 5.793,385 1.928,386 3.183,387 2.318,388 4.678,389 2.898,390 1.936,391 2.279,393 5.114,394 1.836,395 2.968,396 1.908,397 4.414,398 2.451,399 1.516,400 2.176,402 4.257,403 1.418,404 2.844,405 1.535,406 4.35,407 2.397,408 1.486,409 1.975,411 3.863,412 1.344,413 2.744,414 1.519,415 3.762,416 2.314,417 1.374,418 1.818,420 2.995,421 1.285,422 2.5,423 1.32,424 3.569,425 2.079,426 1.164,427 1.5,428 2.899,429 1.059,430 2.5,431 1.256,432 3.43,433 2,434 1,435 1.5,436 2.275,437 1,438 2.473,439 1,440 3.414,441 1.984,442 1,443 1.466,445 2.136,446 0.983,447 2.113,448 1,449 3.247,450 1.952,451 1,452 1.043,454 2.136,455 0.946,456 2,457 0.945,458 3.247,459 1.783,460 0.843,461 1,463 2.053,464 0.789,465 15.267,466 0.463,467 0.636,468 0.019,469 46.25,470 1.402,471 23,472 0.697,473 23.25,474 0.705,475 25.507,476 0.773,477 35.133,478 0.627,479 35.948,480 1.089,481 9.214,482 0.279,483 6.994,484 0.212,485 0.055,487 0.314,493 0.803,494 1.468,495 0.71,496 1.171,497 0.608,498 0.959,499 0.98,500 1.143,501 0.855,502 0.965,503 0.649,504 0.903,505 1.119,506 1.045,507 0.949,508 0.877,509 0.966,510 0.879,511 0.873,512 1.074,513 0.934,514 1.027,515 0.893,516 0.985,517 1.278,518 1.112,519 1.007,520 0.921,521 1.553,522 0.902,523 1.279,524 1.003,525 1.186,526 0.955,527 1.313,528 1.024,529 0.93,530 1.002,531 1.241,532 1.127,533 0.671,534 1.208,535 0.372,536 1.024,537 1.022,538 1.389,539 0.454,540 1.357,541 5.5,542 0.162,543 3.111,544 1.819,545 1.569,546 1.379,547 0.765,548 0.25,549 0.296,550 0.237,551 16940,552 47285,553 2.168,554 41.1,556 16,558 2,559 2,561 3,564 1.751,565 2.084,566 3.637,567 0.282,569 1,573 92.533,574 1.652,575 3.894,576 4.669,577 4.972,578 5.008,579 5.044,580 3.044,581 4.56,582 5.012,583 3.857,584 2036.47,585 8.774,586 30980.4,588 1,591 325.212,592 1.182,593 4.999,594 0.149,595 0.007,596 0.061,597 0.035,598 0.031,599 0.028,600 0.016,601 0.006,602 0.009,603 0.009,604 0.35,605 0.33,606 0.75,607 0.551,608 176.342,609 0.001,610 -0.235,611 0.073,612 -0.13,613 -0.01,614 -0.036,615 0.056,616 -0.025,617 0.043,618 0.012,619 0.081,620 0.014,621 -0.091,622 -0.006,623 0.011,624 0.08,625 -0.048,626 0.064,627 0.001,628 -0.022,629 0.01,630 -0.067,631 0.03,632 -0.031,633 -0.208,634 -0.077,635 -0.044,636 0.033,637 -0.165,638 0.035,639 -0.196,640 0.101,641 -0.26,642 -0.019,643 -0.153,644 -0.126,645 -0.112,646 0.076,647 -0.338,648 -0.131,649 -0.102,650 -0.245,651 0.25,652 -0.105,653 -0.07,654 -0.293,655 0.154,656 -0.26,657 2.001,658 5.244,659 0.818,660 38.606,661 1.014,662 1.139,663 2.67,664 7.129,665 0.666,666 3.638,667 3.951,668 4.248,669 4.543,670 4.796,671 4.913,672 5.112,673 5.263,674 5.352,675 5.468,676 7.811,677 0.648,678 445.54,679 3.638,680 5.176,681 6.033,682 6.913,683 7.789,684 8.678,685 9.565,686 10.461,687 11.354,688 12.255,689 16.1,695 1,696 2,697 1,699 5,703 2,704 8,705 5,709 5,710 1,711 22,726 1,731 56,733 23,734 1,735 37,737 60,738 22,739 15,740 2,741 4,746 5,747 6,751 1,752 1,761 16,762 6,766 1,771 1,775 1,778 1,781 23,782 10,783 2,784 11,790 9,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 33,854 5,855 2,856 1,859 1,867 1,870 3.6,873 1,874 1,877 15.833,878 10.4,879 7.306,880 3.454,881 4.014,882 1.488,883 1.008,884 6.22,885 12.241,886 3.912,887 4.514,888 5.126,889 5.759,890 6.32,891 6.679,892 7.172,893 7.624,894 7.935,895 8.337,896 0.889,897 52,898 12.152,900 5.157,901 7.722,902 23.122,904 18.744,905 2.222,906 73.333,910 247.193,911 120.77,912 124.482,914 36.145,917 120.77,918 283.338,919 124.482,920 8.825,921 51.523,922 56.857,923 144.962,924 36.167,925 6.604,926 223.651,928 247.193,929 245.252,930 36.145,933 214.208,934 60.458,935 11,937 84.079,938 75.285,939 83.56,941 247.193,942 160.627,943 120.77,946 247.193,947 36.992,948 88.678,949 36.022,950 119.705,951 247.193,952 160.627,953 120.77,955 0.573,956 0.338,957 0.191,958 0.106,959 25,960 10,961 0.083,962 5,963 1,964 1.074,965 4.496,966 310.608,967 0.074,968 27,969 154.465,974 21.407,975 9.589,976 4.687,977 1.386,978 158.851,979 14.075,980 22.064,984 3.485,985 1.768,986 36.022,987 528.59,988 49,993 12.244,997 -0.334,999 56.756,1000 63.81,1001 0.285,1002 0.671,1003 0.804,1004 0.856,1005 0.862,1006 0.869,1007 5.139,1008 1.516,1009 5.999,1010 5.114,1011 4.635,1012 5.201,1013 2.109,1014 6.804,1015 4.531,1016 6.332,1017 1.486,1018 7.545,1019 4.257,1020 4.111,1021 4.945,1022 1.305,1023 7.678,1024 3.967,1025 7.632,1026 1.374,1027 9.192,1028 3.863,1029 6.213,1030 7.413,1031 2.545,1032 10.808,1033 6.008,1034 8.971,1035 1.164,1036 10.903,1037 2.995,1038 6.553,1039 8.048,1040 2.354,1041 12.56,1042 6.302,1043 10.345,1044 1,1045 12.656,1046 2.899,1047 8.08,1048 9.958,1049 3.285,1050 15.198,1051 7.773,1052 11.745,1053 1,1054 14.438,1055 2.275,1056 8.832,1057 11.031,1058 3.414,1059 17.322,1060 8.472,1061 13.166,1062 1,1063 16.243,1064 2.136,1065 10.121,1066 12.709,1067 4.168,1068 19.802,1069 9.707,1070 3.254,1071 0.843,1072 18.064,1073 2.136,1074 11.077,1075 14.008,1076 4.466,1077 22.091,1078 10.604,1079 2.801,1080 11.391,1081 19.9,1082 2.053,1083 12.271,1084 15.587,1085 5.115,1086 24.523,1087 11.744,1088 2.671,1089 8.946,1090 21.746,1091 4.627,1092 13.329,1093 17.002,1094 5.504,1095 26.885,1096 12.74,1097 2.643,1098 8.804,1099 23.602,1100 3.792,1101 14.49,1102 18.543,1103 6.092,1104 29.307,1105 13.843,1106 2.401,1107 7.635,1108 25.466,1109 3.479,1110 15.598,1111 20.015,1112 6.531,1113 31.704,1114 14.89,1115 2.005,1116 6.925,1117 27.337,1118 3.303,1119 16.752,1120 21.544,1121 7.084,1122 34.126,1123 15.984,1124 1.936,1125 5.793,1126 29.214,1127 3.138,1128 17.888,1129 23.044,1130 7.551,1131 36.54,1132 17.057,1133 15689,1134 26392,1135 25.542,1136 37.29,1137 55.084,1138 56.155,1139 56.034,1140 54.959,1141 54.964,1142 72.413,1143 7.126,1144 155.862,1145 52.137,1146 5.673,1147 5.562,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 10.973,1156 1.489,1157 1.518,1158 1.514,1159 1.485,1160 1.486,1161 1.957,1162 0.193,1163 4.212,1164 1.409,1165 4.109,1166 4.167,1167 4.093,1168 3.94,1169 7.431,1170 3.966,1171 3.907,1172 3.951,1173 3.857,1174 3.768,1175 5.22,1176 3.788,1177 3.845,1178 3.886,1179 3.787,1180 3.738,1181 4.91,1182 3.746,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.785,1188 3.519,1189 3.469,1190 3.538,1191 3.398,1192 3.258,1193 4.628,1194 3.264,1195 3.377,1196 3.434,1197 3.264,1198 3.11,1199 4.511,1200 3.152,1201 3.111,1202 3.206,1203 3.006,1204 2.941,1205 4.095,1206 2.91,1207 3.096,1208 3.178,1209 2.866,1210 2.851,1211 4.061,1212 2.888,1213 0.126,1214 0.096,1215 0.185,1216 0.113,1217 0.088,1218 4.673,1219 0.125,1220 3.562,1221 0.045,1222 6.84,1223 0.308,1224 4.197,1225 0.083,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.947,1232 1.916,1233 2.028,1234 2.088,1235 1.217,1236 2.067,1237 1.825,1238 1.783,1239 1.939,1240 1.992,1241 1.11,1242 1.978,1243 1.782,1244 1.738,1245 1.925,1246 1.941,1247 1.042,1248 1.941,1249 1.633,1250 1.568,1251 1.86,1252 1.884,1253 0.948,1254 1.874,1255 1.474,1256 1.401,1257 1.643,1258 1.719,1259 0.825,1260 1.7,1261 1.239,1262 1.194,1263 1.513,1264 1.551,1265 0.747,1266 1.499,1267 1.153,1268 1.064,1269 1.359,1270 1.376,1271 0.325,1272 1.429,1273 0.972,1274 0.89,1275 1.181,1276 1.344,1277 0.258,1278 1.305,1279 4.317,1281 5.631,1282 2.398,1283 7.146,1284 4.727,1285 8.75,1286 6.843,1287 10.404,1289 2.002,1295 3.417,1296 5.582,1297 5.488,1300 2.158,1305 36.31,1306 92.533,1307 218.087,1308 261.437,1309 278.457,1310 280.457,1311 282.457,1312 46.806,1313 8.228,1314 122.98,1315 122.98,1316 29,1317 12.778,1318 4.585,1319 3.7,1320 47.973,1321 153,1322 171,1323 0.15,1324 221.775,1325 371.3,1326 532.89,1327 46926,1329 22.623,1330 0.686,1331 0.549,1332 22.623,1333 18.101,1334 16.208,1335 0.438,1336 0.29,1337 10.52,1338 15.344,1339 10.357,1340 8.542,1341 16.208,1342 10.734,1343 14.228,1344 0.279,1345 0.146,1346 14.228,1347 7.44,1348 12.26,1349 0.178,1350 0.077,1351 12.26,1352 5.294,1353 10.602,1354 0.114,1355 0.039,1356 10.602,1357 3.611,1358 8.664,1359 0.072,1360 0.02,1361 8.664,1362 2.415,1363 0.239,1364 103.015,1365 0.198,1366 30.955,1367 0.401,1368 176,1369 553.653,1370 199.354,1371 530.801,1372 737.51,1373 500,1374 208,1375 561.154,1376 232.746,1377 559.824,1378 821.77,1379 528,1380 8.301}
{0 CHEMBL590074,1 1.634,2 13.441,3 2.199,4 4.836,5 126.633,6 7.789,7 0.579,8 4.206,9 4.337,10 3.818,11 3.673,12 5.336,13 3.686,14 4.739,15 4.923,16 4.177,17 4.048,18 5.845,19 4.045,20 4.958,21 5.178,22 4.214,23 4.171,24 6.014,25 4.142,26 4.987,27 5.227,28 4.206,29 4.169,30 6.058,31 4.128,32 4.949,33 5.169,34 4.18,35 4.144,36 6.064,37 4.122,38 4.896,39 5.092,40 4.186,41 4.154,42 6.018,43 4.129,44 4.929,45 5.14,46 4.09,47 4.206,48 5.94,49 4.14,50 4.993,51 5.219,52 3.939,53 4.235,54 5.948,55 4.091,56 0.12,57 0.982,58 11.416,59 4.563,60 10.458,61 6.169,62 0.482,63 1.506,64 22.714,65 7.383,66 33.981,67 10.433,68 0.626,69 1.754,70 30.459,71 8.76,72 46.526,73 12.941,74 0.549,75 1.773,76 31.888,77 9.373,78 49.477,79 14.218,80 0.593,81 1.7,82 30.307,83 8.109,84 61.821,85 12.124,86 0.609,87 1.692,88 27.134,89 7.947,90 52.125,91 11.4,92 0.586,93 1.714,94 28.263,95 8.89,96 39.928,97 12.927,98 0.398,99 1.685,100 30.936,101 12.963,102 49.534,103 18.259,104 11,105 53,106 0.262,107 0.626,108 0.757,109 0.788,110 0.793,111 0.799,112 3.561,113 0.878,114 -4.11,115 -4.06,116 -3.84,119 39,120 2,125 4,127 1,142 6,143 1,144 2,145 2,146 1,147 1,149 1,159 1,161 1,166 2,172 4,174 4,175 6,178 2,179 1,180 4,183 6,186 5,187 6,192 2,195 2,198 5,199 14,202 1,204 5,211 1,212 8,217 2,223 2,224 13,227 3,229 1,232 6,236 3,237 5,245 8,249 2,250 4,253 4,258 6,263 6,266 2,275 2212,276 23.292,277 23.292,278 23.292,279 23.292,280 23.292,281 20.652,282 28.502,283 13.897,284 23.948,285 18.814,286 18.814,287 18.814,288 18.814,289 18.814,290 14.741,291 38.192,292 6.656,293 19.852,294 4.249,295 1.981,296 1.17,297 0.975,298 0.941,299 0.907,300 4.27,304 1,305 1,306 1009,307 3.536,310 84.974,311 429.334,314 149.184,318 2.095,319 30.792,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 74.5,331 457,332 4.689,333 3.562,334 6.887,335 4.221,336 3.278,337 4.637,338 1.656,339 11.538,340 3.09,341 4.181,342 3.369,343 6.257,344 3.792,345 2.821,346 3.796,347 0.86,348 9.27,349 2.743,350 3.988,351 2.986,352 6.107,353 3.678,354 2.744,355 3.48,356 0.8,357 8.928,358 2.563,359 3.945,360 2.817,361 5.568,362 3.605,363 2.643,364 3.348,365 0.247,366 7.635,367 2.528,368 3.757,369 2.552,370 5.408,371 3.368,372 2.404,373 3.144,375 6.928,376 2.313,377 3.408,378 2.459,379 5.322,380 3.114,381 2.168,382 2.656,384 6.477,385 2.044,386 3.312,387 2.353,388 4.68,389 2.937,390 1.948,391 2.41,393 5.114,394 1.914,395 2.969,396 2.093,397 4.61,398 2.6,399 1.689,400 2.176,402 4.44,403 1.534,404 2.877,405 1.535,406 4.402,407 2.445,408 1.499,409 1.98,411 4.221,412 1.415,413 2.84,414 1.519,415 3.771,416 2.315,417 1.374,418 1.937,420 2.995,421 1.286,422 2.506,423 1.478,424 3.671,425 2.1,426 1.217,427 1.507,428 2.916,429 1.068,430 2.5,431 1.256,432 3.569,433 2.027,434 1.041,435 1.5,436 2.575,437 1.024,438 2.5,439 1.057,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.312,448 1,449 3.407,450 1.984,451 1,452 1.293,454 2.136,455 0.983,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.767,466 0.464,467 0.763,468 0.022,469 46.75,470 1.375,471 23,472 0.676,473 23.75,474 0.699,475 28.194,476 0.829,477 36.433,478 0.618,479 36.872,480 1.084,481 9.194,482 0.27,483 7.387,484 0.217,485 0.085,487 0.336,493 0.797,494 1.471,495 0.729,496 1.182,497 0.627,498 0.978,499 0.951,500 1.168,501 0.831,502 0.975,503 0.63,504 0.902,505 1.137,506 1.077,507 0.983,508 0.912,509 0.957,510 0.915,511 0.849,512 1.045,513 0.875,514 0.961,515 0.851,516 0.915,517 1.353,518 1.077,519 1.057,520 0.888,521 1.595,522 0.897,523 1.248,524 1.079,525 1.157,526 1.005,527 1.285,528 1.045,529 1.015,530 0.949,531 1.249,532 1.042,533 0.701,534 1.143,535 0.372,536 1.107,537 1.098,538 1.491,539 0.471,540 1.455,541 6,542 0.162,543 3.333,544 1.972,545 1.694,546 1.406,547 0.968,548 0.375,549 0.329,550 0.288,551 18011,552 49106,553 2.145,554 42.4,556 15,558 2,559 2,561 6,564 1.76,565 2.04,566 3.633,567 0.264,569 1,573 96.408,574 1.634,575 3.902,576 4.713,577 4.908,578 4.942,579 4.976,580 3.031,581 4.676,582 5.054,583 3.866,584 2168.74,585 8.865,586 33614.5,591 347.076,592 1.286,593 5.033,594 0.158,595 0.006,596 0.063,597 0.037,598 0.032,599 0.027,600 0.019,601 0.008,602 0.009,603 0.01,604 0.368,605 0.33,606 0.75,607 0.608,608 183.083,609 0.012,610 -0.227,611 0.074,612 -0.125,613 -0.019,614 -0.034,615 0.085,616 -0.046,617 0.079,618 0.013,619 0.105,620 0.031,621 -0.098,622 -0.022,623 -0.023,624 0.043,625 -0.052,626 0.023,627 0.028,628 -0.015,629 0.092,630 -0.003,631 0.063,632 0.05,633 -0.245,634 -0.021,635 -0.088,636 0.05,637 -0.199,638 0.026,639 -0.164,640 0.043,641 -0.232,642 -0.055,643 -0.129,644 -0.138,645 -0.159,646 0.157,647 -0.34,648 -0.059,649 -0.117,650 -0.193,651 0.212,652 -0.141,653 -0.188,654 -0.379,655 0.111,656 -0.37,657 2.002,658 5.275,659 0.794,660 40.415,661 1.011,662 1.139,663 2.885,664 8.323,665 0.662,666 3.664,667 3.989,668 4.277,669 4.575,670 4.828,671 4.963,672 5.165,673 5.323,674 5.421,675 5.545,676 7.88,677 0.641,678 459.57,679 3.664,680 5.209,681 6.066,682 6.95,683 7.827,684 8.72,685 9.609,686 10.509,687 11.405,688 12.31,689 15.3,695 1,696 2,697 1,699 5,703 2,704 8,705 5,709 5,710 1,711 22,726 1,731 59,733 23,734 1,735 38,737 63,738 23,739 15,740 2,741 4,746 5,747 6,751 1,752 2,758 1,761 16,762 7,766 1,771 1,775 1,778 1,781 25,782 10,783 2,784 11,790 9,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 34,854 4,855 2,856 1,858 1,859 1,867 1,870 3.4,873 1,874 1,877 16.667,878 11.233,879 7.417,880 3.587,881 4.01,882 1.484,883 0.995,884 6.454,885 12.3,886 3.932,887 4.535,888 5.144,889 5.78,890 6.344,891 6.719,892 7.211,893 7.668,894 7.988,895 8.399,896 0.889,897 54,898 12.53,900 5.321,901 7.711,902 23.878,904 19.426,905 2.211,906 75.167,910 270.735,911 127.489,912 124.482,914 36.145,917 127.489,918 306.88,919 124.482,920 17.65,921 49.418,922 56.857,923 144.962,924 36.167,925 6.604,926 247.193,928 270.735,929 251.972,930 36.145,933 202.437,934 95.772,935 11,937 90.799,938 75.285,939 83.56,941 270.735,942 160.627,943 127.489,946 270.735,947 34.886,948 97.504,949 36.022,950 119.705,951 270.735,952 160.627,953 127.489,955 0.579,956 0.335,957 0.187,958 0.104,959 26,960 11,961 0.079,962 5,963 1,964 1.074,965 4.533,966 325.076,967 0.074,968 27,969 158.974,974 22.356,975 9.816,976 4.925,977 1.38,978 158.851,979 14.09,980 22.275,984 3.476,985 1.809,986 36.022,987 558.852,988 50,993 12.275,997 -0.335,999 59.64,1000 67.225,1001 0.278,1002 0.663,1003 0.801,1004 0.834,1005 0.84,1006 0.846,1007 5.168,1008 1.689,1009 6.043,1010 5.114,1011 4.673,1012 5.223,1013 2.109,1014 6.855,1015 4.571,1016 6.365,1017 1.499,1018 7.596,1019 4.44,1020 4.205,1021 4.987,1022 1.305,1023 7.753,1024 4.065,1025 7.667,1026 1.374,1027 9.252,1028 4.221,1029 6.26,1030 7.43,1031 2.545,1032 10.883,1033 6.056,1034 9.006,1035 1.217,1036 10.971,1037 2.995,1038 6.635,1039 8.074,1040 2.354,1041 12.653,1042 6.386,1043 10.382,1044 1.041,1045 12.731,1046 2.916,1047 8.141,1048 9.975,1049 3.285,1050 15.298,1051 7.834,1052 11.783,1053 1,1054 14.521,1055 2.575,1056 8.914,1057 11.054,1058 3.414,1059 17.436,1060 8.554,1061 13.205,1062 1,1063 16.332,1064 2.275,1065 10.196,1066 12.728,1067 4.168,1068 19.926,1069 9.781,1070 3.278,1071 1,1072 18.161,1073 2.136,1074 11.166,1075 14.031,1076 4.466,1077 22.227,1078 10.692,1079 2.821,1080 11.538,1081 20.003,1082 2.136,1083 12.359,1084 15.61,1085 5.115,1086 24.67,1087 11.829,1088 2.744,1089 9.27,1090 21.856,1091 4.637,1092 13.427,1093 17.027,1094 5.504,1095 27.043,1096 12.835,1097 2.643,1098 8.928,1099 23.718,1100 3.796,1101 14.591,1102 18.569,1103 6.092,1104 29.476,1105 13.941,1106 2.404,1107 7.635,1108 25.588,1109 3.48,1110 15.707,1111 20.044,1112 6.531,1113 31.884,1114 14.995,1115 2.168,1116 6.928,1117 27.465,1118 3.348,1119 16.866,1120 21.574,1121 7.084,1122 34.317,1123 16.094,1124 1.948,1125 6.477,1126 29.348,1127 3.144,1128 18.009,1129 23.076,1130 7.551,1131 36.742,1132 17.174,1133 16758,1134 27862,1135 25.948,1136 39.051,1137 57.4,1138 58.35,1139 58.118,1140 57.026,1141 57.054,1142 74.515,1143 7.126,1144 162.976,1145 54.197,1146 5.689,1147 5.562,1148 6.689,1149 5.324,1150 5.278,1151 7.637,1152 2.912,1153 19.027,1154 5.09,1155 13.643,1156 1.511,1157 1.536,1158 1.529,1159 1.501,1160 1.501,1161 1.961,1162 0.188,1163 4.289,1164 1.426,1165 4.115,1166 4.172,1167 4.099,1168 3.944,1169 7.431,1170 3.971,1171 3.908,1172 3.952,1173 3.858,1174 3.774,1175 5.221,1176 3.792,1177 3.847,1178 3.888,1179 3.788,1180 3.739,1181 4.91,1182 3.747,1183 3.744,1184 3.807,1185 3.631,1186 3.517,1187 4.785,1188 3.533,1189 3.537,1190 3.605,1191 3.425,1192 3.364,1193 4.628,1194 3.362,1195 3.401,1196 3.451,1197 3.325,1198 3.121,1199 4.513,1200 3.172,1201 3.114,1202 3.206,1203 3.053,1204 2.941,1205 4.162,1206 2.91,1207 3.111,1208 3.192,1209 2.866,1210 2.858,1211 4.072,1212 2.902,1213 0.123,1214 0.094,1215 0.181,1216 0.111,1217 0.086,1218 4.689,1219 0.122,1220 3.562,1221 0.044,1222 6.887,1223 0.304,1224 4.221,1225 0.081,1226 3.278,1227 4.637,1228 1.656,1229 11.538,1230 3.09,1231 1.948,1232 1.917,1233 2.03,1234 2.091,1235 1.22,1236 2.069,1237 1.825,1238 1.784,1239 1.946,1240 1.993,1241 1.142,1242 1.98,1243 1.788,1244 1.744,1245 1.928,1246 1.941,1247 1.097,1248 1.941,1249 1.678,1250 1.61,1251 1.913,1252 1.918,1253 0.948,1254 1.916,1255 1.523,1256 1.466,1257 1.654,1258 1.741,1259 0.825,1260 1.722,1261 1.239,1262 1.194,1263 1.513,1264 1.551,1265 0.763,1266 1.499,1267 1.153,1268 1.064,1269 1.417,1270 1.376,1271 0.469,1272 1.429,1273 0.977,1274 0.895,1275 1.358,1276 1.368,1277 0.324,1278 1.308,1279 4.344,1281 5.666,1282 2.398,1283 7.185,1284 4.727,1285 8.791,1286 6.862,1287 10.447,1289 4.087,1295 2.743,1296 5.592,1297 5.505,1299 0.107,1300 2.162,1305 37.837,1306 96.408,1307 230.208,1308 278.056,1309 289.566,1310 291.566,1311 293.566,1312 50.909,1313 8.29,1314 122.98,1315 122.98,1316 29,1317 12.831,1318 4.585,1319 3.7,1320 50.1,1321 158,1322 182,1323 0.151,1324 231.367,1325 388.6,1326 556.296,1327 50044,1329 23.493,1330 0.691,1331 0.558,1332 23.493,1333 18.972,1334 16.581,1335 0.436,1336 0.293,1337 10.911,1338 15.723,1339 10.676,1340 8.843,1341 16.581,1342 11.124,1343 14.968,1344 0.282,1345 0.154,1346 14.968,1347 8.163,1348 12.499,1349 0.176,1350 0.077,1351 12.499,1352 5.444,1353 10.851,1354 0.113,1355 0.039,1356 10.851,1357 3.72,1358 8.831,1359 0.071,1360 0.02,1361 8.831,1362 2.483,1363 0.24,1364 105.214,1365 0.196,1366 31.658,1367 0.406,1368 182,1369 559.653,1370 205.687,1371 537.77,1372 747.61,1373 506,1374 215,1375 570.507,1376 240.079,1377 570.238,1378 836.49,1379 537,1380 8.301}
{0 CHEMBL590084,1 1.748,2 12.625,3 2.759,4 7.61,5 122.582,6 8.344,7 0.583,8 4.129,9 4.25,10 3.834,11 3.645,12 5.251,13 3.636,14 4.659,15 4.829,16 4.2,17 4.02,18 5.767,19 3.994,20 4.846,21 5.06,22 4.15,23 4.074,24 5.901,25 4.033,26 4.825,27 5.041,28 4.187,29 4.064,30 5.932,31 4.033,32 4.83,33 5.039,34 4.144,35 4.07,36 5.953,37 4.042,38 4.815,39 5.012,40 4.135,41 4.096,42 5.896,43 4.054,44 4.827,45 5.03,46 4.05,47 4.13,48 5.835,49 4.04,50 4.866,51 5.103,52 3.822,53 4.085,54 5.806,55 3.925,56 0.128,57 0.92,58 9.953,59 4.546,60 8.848,61 5.474,62 0.484,63 1.438,64 21.713,65 7.559,66 29.168,67 9.408,68 0.607,69 1.608,70 29.6,71 8.955,72 42.215,73 11.559,74 0.504,75 1.606,76 26.315,77 8.088,78 39.612,79 11.131,80 0.512,81 1.572,82 26.381,83 8.142,84 50.217,85 10.786,86 0.574,87 1.598,88 24.113,89 7.675,90 44.328,91 9.887,92 0.541,93 1.585,94 26.489,95 9.067,96 34.519,97 11.717,98 0.434,99 1.482,100 29.884,101 12.001,102 46.228,103 16.203,104 6,105 50,106 0.286,107 0.65,108 0.778,109 0.835,110 0.835,111 0.835,112 3.502,113 0.937,114 -4.48,115 -4.4,116 -4.15,119 38.9,120 1,125 5,142 6,143 1,144 1,146 1,147 1,149 1,151 1,153 1,159 1,161 1,166 2,172 5,174 4,175 3,178 2,179 1,180 4,183 6,186 5,187 5,192 3,195 2,198 5,199 12,204 5,211 1,212 9,217 3,223 1,224 11,227 2,229 1,232 5,236 3,237 5,245 8,249 2,250 2,253 4,258 6,263 3,266 2,271 1,275 1864,276 22.248,277 22.248,278 22.248,279 22.248,280 22.248,281 19.714,282 26.921,283 13.237,284 23.07,285 17.768,286 17.768,287 17.768,288 17.768,289 17.768,290 13.824,291 35.692,292 6.258,293 19.052,294 4.006,295 1.778,296 0.996,297 0.644,298 0.644,299 0.644,300 4.213,304 1,305 1,306 898,307 3.24,310 180.148,311 281.366,314 138.695,318 2.008,319 28.192,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70,331 404,332 4.673,333 3.562,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.173,342 3.348,343 6.11,344 3.776,345 2.802,346 3.792,347 0.86,348 8.946,349 2.73,350 3.991,351 2.906,352 6.095,353 3.594,354 2.671,355 3.51,356 0.8,357 8.804,358 2.473,359 3.9,360 2.796,361 5.571,362 3.577,363 2.652,364 3.304,365 0.247,366 7.643,367 2.452,368 3.762,369 2.566,370 5.329,371 3.337,372 2.409,373 3.139,375 6.941,376 2.215,377 3.402,378 2.416,379 5.12,380 2.951,381 2.005,382 2.644,384 5.793,385 1.89,386 3.183,387 2.318,388 4.683,389 2.893,390 1.933,391 2.279,393 5.129,394 1.831,395 2.961,396 1.908,397 4.415,398 2.445,399 1.511,400 2.164,402 4.258,403 1.413,404 2.745,405 1.535,406 4.35,407 2.394,408 1.476,409 1.82,411 3.863,412 1.342,413 2.569,414 1.32,415 3.761,416 2.094,417 1.173,418 1.582,420 2.907,421 1.071,422 2.5,423 1.318,424 3.433,425 2.059,426 1.123,427 1.5,428 2.493,429 1.037,430 2.472,431 1.256,432 3.414,433 2,434 1,435 1.464,436 2.275,437 1,438 2.118,439 1,440 3.388,441 1.952,442 1,443 1.042,445 2.136,446 0.946,447 2.113,448 0.944,449 3.247,450 1.783,451 0.842,452 1,454 2.051,455 0.788,456 2,457 0.618,458 3,459 1.463,460 0.618,461 0.927,463 1.372,464 0.507,465 15.2,466 0.475,467 0.636,468 0.02,469 43.25,470 1.352,471 21,472 0.656,473 22.25,474 0.695,475 26.275,476 0.821,477 34,478 0.63,479 32.643,480 1.02,481 8.409,482 0.263,483 7.299,484 0.228,485 0.055,487 0.316,493 0.797,494 1.342,495 0.697,496 1.013,497 0.605,498 0.912,499 0.943,500 1.108,501 0.863,502 0.951,503 0.623,504 0.892,505 1.131,506 1.063,507 0.992,508 0.917,509 0.964,510 0.894,511 0.903,512 1.069,513 0.768,514 0.908,515 0.946,516 0.925,517 1.241,518 1.111,519 0.882,520 0.857,521 1.447,522 0.899,523 1.325,524 0.989,525 1.014,526 0.832,527 1.291,528 1.003,529 0.952,530 0.973,531 1.184,532 1.058,533 0.661,534 1.177,535 0.383,536 0.987,537 0.982,538 1.267,539 0.458,540 1.349,541 5.5,542 0.15,543 3.111,544 1.854,545 1.453,546 1.421,547 0.691,548 0.266,549 0.293,550 0.221,551 15468,552 44255,553 2.174,554 40.7,556 16,557 1,559 2,561 3,564 1.744,565 2.087,566 3.567,567 0.301,569 1,573 94.418,574 1.748,575 3.977,576 4.759,577 5.111,578 5.111,579 5.111,580 3.07,581 4.563,582 4.967,583 3.798,584 1884.06,585 8.688,586 27836.8,588 1,591 310.764,592 1.198,593 4.954,594 0.153,595 0.007,596 0.062,597 0.038,598 0.03,599 0.029,600 0.015,601 0.006,602 0.009,603 0.009,604 0.357,605 0.17,606 0.88,607 0.563,608 168.859,609 0.004,610 -0.153,611 0.075,612 -0.044,613 -0.016,614 -0.013,615 0.09,616 -0.005,617 0.051,618 0.02,619 0.095,620 0.02,621 -0.083,622 -0.037,623 -0.052,624 0.013,625 -0.026,626 0.039,628 -0.025,629 0.053,630 -0.054,631 0.014,632 -0.007,633 -0.194,634 -0.084,635 -0.055,636 0.003,637 -0.132,638 0.014,639 -0.277,640 0.094,641 -0.218,642 0.008,643 -0.232,644 -0.127,645 -0.119,646 0.091,647 -0.294,648 -0.107,649 -0.093,650 -0.232,651 0.246,652 -0.093,653 -0.092,654 -0.264,655 0.149,656 -0.272,657 1.953,658 5.169,659 0.813,660 36.453,661 1.014,662 1.134,663 3.247,664 10.545,665 0.684,666 3.611,667 3.932,668 4.234,669 4.533,670 4.745,671 4.898,672 5.1,673 5.242,674 5.342,675 5.451,676 7.529,677 0.657,678 450.58,679 3.611,680 5.153,681 6.014,682 6.897,683 7.775,684 8.668,685 9.556,686 10.454,687 11.348,688 12.25,689 14.8,695 1,696 2,697 1,699 4,703 2,704 7,705 4,708 1,709 5,710 1,711 21,726 1,731 54,733 22,734 1,735 36,737 58,738 21,739 14,740 2,741 4,746 5,747 6,751 1,752 1,761 15,762 6,766 1,771 1,775 1,778 1,781 22,782 9,783 2,784 11,785 1,790 8,794 0.8,795 2,806 1,811 2,812 3,815 1,839 1,840 4,842 1,844 1,848 32,854 5,855 2,856 1,859 1,865 1,867 1,870 3.7,873 1,874 1,877 15.333,878 10.033,879 7.056,880 3.334,881 3.763,882 1.462,883 1.016,884 6.189,885 11.902,886 3.882,887 4.489,888 5.106,889 5.743,890 6.234,891 6.66,892 7.16,893 7.602,894 7.93,895 8.326,896 1,897 49,898 11.804,900 5.034,901 7.693,902 22.576,904 18.474,905 2.193,906 70.167,909 1,910 235.422,911 139.774,912 107.697,914 36.145,916 31.278,917 108.497,918 271.567,919 107.697,920 8.825,921 51.523,922 64.507,923 104.635,924 16.245,925 18.375,926 254.929,928 235.422,929 216.194,930 36.145,931 31.278,933 202.437,934 60.458,935 11,937 66.914,938 80.177,939 66.775,940 31.278,941 235.422,942 143.842,943 139.774,946 235.422,947 66.443,948 78.233,949 36.022,950 102.919,951 235.422,952 143.842,953 139.774,955 0.575,956 0.34,957 0.193,958 0.101,959 25,960 10,961 0.086,962 5,963 1,964 1.077,965 4.412,966 299.699,967 0.077,968 26,969 152,970 1,974 21.099,975 9.386,976 4.572,977 1.401,978 142.065,979 13.101,980 18.134,983 1.467,984 3.667,985 1.773,986 36.022,987 519.038,988 47.5,993 12.169,997 -0.287,999 54.731,1000 61.232,1001 0.304,1002 0.691,1003 0.827,1004 0.888,1005 0.888,1006 0.888,1007 5.113,1008 1.511,1009 5.984,1010 5.129,1011 4.615,1012 5.176,1013 2.109,1014 6.795,1015 4.487,1016 6.31,1017 1.476,1018 7.534,1019 4.258,1020 4.111,1021 4.945,1022 1.305,1023 7.678,1024 3.936,1025 7.613,1026 1.173,1027 9.185,1028 3.863,1029 6.201,1030 7.395,1031 2.545,1032 10.806,1033 5.956,1034 8.957,1035 1.123,1036 10.899,1037 2.907,1038 6.567,1039 8.072,1040 2.354,1041 12.563,1042 6.27,1043 10.335,1044 1,1045 12.653,1046 2.493,1047 8.074,1048 9.945,1049 3.285,1050 15.198,1051 7.719,1052 11.739,1053 1,1054 14.437,1055 2.275,1056 8.844,1057 11.053,1058 3.414,1059 17.323,1060 8.435,1061 13.163,1062 0.842,1063 16.242,1064 2.136,1065 10.12,1066 12.701,1067 4.168,1068 19.802,1069 9.657,1070 3.254,1071 0.618,1072 18.065,1073 2.051,1074 11.086,1075 14.023,1076 4.466,1077 22.091,1078 10.567,1079 2.802,1080 11.391,1081 19.9,1082 1.372,1083 12.273,1084 15.584,1085 5.115,1086 24.523,1087 11.701,1088 2.671,1089 8.946,1090 21.747,1091 4.627,1092 13.335,1093 17.011,1094 5.504,1095 26.886,1096 12.706,1097 2.652,1098 8.804,1099 23.603,1100 3.792,1101 14.492,1102 18.543,1103 6.092,1104 29.307,1105 13.809,1106 2.409,1107 7.643,1108 25.467,1109 3.51,1110 15.603,1111 20.02,1112 6.531,1113 31.704,1114 14.861,1115 2.005,1116 6.941,1117 27.338,1118 3.304,1119 16.755,1120 21.544,1121 7.084,1122 34.127,1123 15.957,1124 1.933,1125 5.793,1126 29.214,1127 3.139,1128 17.891,1129 23.047,1130 7.551,1131 36.54,1132 17.034,1133 14295,1134 24373,1135 24.849,1136 36.932,1137 53.948,1138 54.618,1139 54.405,1140 53.621,1141 53.629,1142 70.391,1143 7.126,1144 153.179,1145 50.181,1146 5.673,1147 5.562,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 10.763,1156 1.499,1157 1.517,1158 1.511,1159 1.489,1160 1.49,1161 1.955,1162 0.198,1163 4.255,1164 1.394,1165 4.109,1166 4.166,1167 4.216,1168 3.945,1169 7.431,1170 3.966,1171 3.902,1172 3.937,1173 4.09,1174 3.876,1175 5.22,1176 3.804,1177 3.833,1178 3.851,1179 3.83,1180 3.762,1181 4.79,1182 3.769,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.691,1188 3.519,1189 3.465,1190 3.534,1191 3.409,1192 3.259,1193 4.628,1194 3.265,1195 3.368,1196 3.42,1197 3.264,1198 3.112,1199 4.509,1200 3.15,1201 3.111,1202 3.206,1203 3.002,1204 2.941,1205 4.088,1206 2.91,1207 3.091,1208 3.172,1209 2.866,1210 2.847,1211 3.941,1212 2.883,1213 0.13,1214 0.099,1215 0.19,1216 0.117,1217 0.09,1218 4.673,1219 0.129,1220 3.562,1221 0.046,1222 6.84,1223 0.316,1224 4.197,1225 0.085,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.946,1232 1.916,1233 2.027,1234 2.087,1235 1.217,1236 2.066,1237 1.787,1238 1.742,1239 1.931,1240 1.963,1241 1.11,1242 1.957,1243 1.633,1244 1.569,1245 1.86,1246 1.888,1247 1.042,1248 1.876,1249 1.522,1250 1.482,1251 1.674,1252 1.743,1253 0.825,1254 1.721,1255 1.471,1256 1.401,1257 1.64,1258 1.675,1259 0.749,1260 1.665,1261 1.382,1262 1.369,1263 1.513,1264 1.517,1265 0.712,1266 1.539,1267 1.153,1268 1.084,1269 1.411,1270 1.376,1271 0.581,1272 1.429,1273 1.108,1274 1.064,1275 1.181,1276 1.346,1277 0.297,1278 1.308,1279 4.29,1281 5.609,1282 3.045,1283 7.12,1284 5.283,1285 8.721,1286 7.286,1287 10.373,1289 2.006,1295 3.449,1296 5.637,1297 5.487,1300 2.163,1305 35.475,1306 94.418,1307 214.742,1308 256.989,1309 276.009,1310 276.009,1311 276.009,1312 44.892,1313 8.139,1314 110.09,1315 138.33,1316 28,1317 12.773,1318 4.524,1319 3.644,1320 45.806,1321 142,1322 152,1323 0.154,1324 219.446,1325 364.15,1326 527.209,1327 41206,1329 21.916,1330 0.685,1331 0.572,1332 22.269,1333 18.302,1334 15.708,1335 0.436,1336 0.312,1337 10.249,1338 14.433,1339 10.003,1340 8.235,1341 16.162,1342 11.249,1343 13.875,1344 0.277,1345 0.163,1346 14.484,1347 8.129,1348 12.01,1349 0.177,1350 0.087,1351 12.627,1352 5.899,1353 10.425,1354 0.113,1355 0.045,1356 11.059,1357 4.119,1358 8.052,1359 0.071,1360 0.021,1361 8.33,1362 2.441,1363 0.244,1364 104.057,1365 0.201,1366 30.112,1367 0.415,1368 172,1369 534.868,1370 216.805,1371 532.72,1372 739.73,1373 502,1374 204,1375 547.442,1376 244.116,1377 559.62,1378 824.14,1379 528,1380 8.602}
{0 CHEMBL590104,1 1.875,2 12.758,3 2.84,4 8.065,5 110.653,6 8.764,7 0.444,8 4.112,9 4.227,10 3.789,11 3.562,12 5.327,13 3.605,14 4.682,15 4.845,16 4.215,17 3.932,18 6.288,19 3.967,20 4.857,21 5.065,22 4.163,23 4.043,24 6.109,25 4.04,26 4.83,27 5.032,28 4.21,29 4.049,30 6.145,31 4.053,32 4.852,33 5.04,34 4.284,35 4.061,36 6.32,37 4.08,38 4.846,39 5.037,40 4.172,41 4.083,42 6.065,43 4.077,44 4.885,45 5.087,46 4.172,47 4.062,48 6.183,49 4.041,50 4.888,51 5.116,52 4.081,53 3.956,54 6.207,55 3.923,56 0.309,57 1.105,58 7.847,59 4.549,60 40.746,61 4.971,62 1.267,63 1.97,64 19.487,65 7.478,66 177.874,67 8.425,68 1.249,69 1.725,70 26.571,71 8.409,72 130.247,73 10.562,74 0.97,75 1.792,76 23.551,77 8.177,78 105.007,79 10.623,80 1.149,81 1.944,82 24.268,83 8.626,84 135.499,85 10.74,86 0.956,87 1.89,88 23.171,89 9.195,90 108.731,91 10.754,92 1.044,93 1.94,94 24.71,95 9.423,96 91.586,97 11.836,98 1.05,99 1.961,100 28.61,101 11.206,102 112.322,103 13.815,104 37,105 51,106 0.31,107 0.696,108 0.845,109 0.87,110 0.87,111 0.87,112 3.532,113 0.844,114 -4.29,115 -4.23,116 -4,119 39.6,121 1,125 5,132 1,135 1,136 1,142 4,143 2,144 1,145 1,146 1,149 1,159 1,161 1,166 1,172 6,174 2,175 9,178 2,179 1,180 2,183 6,186 1,187 7,192 2,195 4,198 2,199 10,204 3,207 2,211 1,212 12,217 2,220 6,224 5,227 2,229 1,232 8,236 3,237 3,245 4,249 2,250 2,253 3,255 2,263 2,266 1,268 2,275 2111,276 22.041,277 22.041,278 22.041,279 22.041,280 22.041,281 19.882,282 20.462,283 13.166,284 22.819,285 17.811,286 17.811,287 17.811,288 17.811,289 17.811,290 14.378,291 20.817,292 6.295,293 19.156,294 3.853,295 1.519,296 0.618,297 0.467,298 0.467,299 0.467,300 4.225,304 1,305 1,306 899,307 4.243,310 81.213,311 293.433,314 143.711,318 2.051,319 59.634,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 77,331 421,332 4.695,333 4.269,334 6.856,335 4.233,336 3.288,337 4.646,338 3.02,339 11.454,340 3.138,341 4.201,342 3.546,343 6.458,344 3.928,345 3.09,346 3.793,347 1.656,348 10.182,349 2.74,350 4.135,351 3.291,352 6.107,353 3.768,354 2.79,355 3.504,356 1.151,357 8.937,358 2.631,359 3.949,360 2.874,361 6.039,362 3.564,363 2.622,364 3.198,365 0.247,366 8.65,367 2.433,368 3.83,369 2.786,370 5.472,371 3.49,372 2.529,373 3.076,375 7.346,376 2.354,377 3.477,378 2.431,379 5.091,380 3.074,381 2.098,382 2.712,384 5.744,385 2.035,386 3.288,387 2.333,388 4.827,389 2.878,390 1.937,391 2.508,393 5.517,394 1.808,395 2.965,396 2.168,397 4.427,398 2.459,399 1.517,400 2.169,402 4.294,403 1.425,404 2.712,405 1.862,406 4.341,407 2.35,408 1.442,409 1.788,411 3.843,412 1.297,413 2.5,414 1.535,415 3.762,416 2.281,417 1.348,418 1.5,420 2.91,421 1.237,422 2.492,423 1.465,424 3.436,425 2.073,426 1.152,427 1.482,428 2.495,429 1.053,430 2.439,431 1.287,432 3.414,433 2,434 1,435 1.417,436 2.275,437 1,438 2.232,439 1.219,440 3.367,441 1.969,442 1,443 1.102,445 2.136,446 0.963,447 2.029,448 1,449 3.247,450 1.708,451 0.786,452 0.997,454 2.035,455 0.721,456 1.375,457 0.911,458 3.118,459 1.133,460 0.268,461 0.282,463 0.474,464 0.226,465 14.71,466 0.446,467 0.921,468 0.028,469 40,470 1.212,471 17.5,472 0.53,473 22.5,474 0.682,475 28.304,476 0.858,477 37.49,478 0.707,479 36.323,480 1.101,481 8.347,482 0.253,483 7.49,484 0.227,485 0.1,486 0.034,487 0.299,488 1,490 3,493 0.632,494 1.097,495 0.616,496 1.157,497 0.573,498 0.959,499 0.67,500 0.83,501 0.785,502 0.94,503 0.521,504 0.93,505 0.852,506 0.746,507 0.977,508 0.827,509 0.831,510 0.919,511 0.632,512 0.794,513 0.823,514 0.955,515 0.605,516 0.965,517 0.684,518 0.868,519 0.775,520 0.951,521 0.683,522 0.922,523 0.822,524 0.951,525 1.002,526 1.095,527 0.745,528 1.117,529 0.645,530 0.905,531 0.954,532 1.168,533 0.563,534 1.202,535 0.731,536 1.15,537 0.825,538 1.329,539 0.741,540 1.211,541 7.5,542 0.277,543 3.333,544 2.007,545 1.808,546 1.612,547 0.85,548 0.627,549 0.494,550 0.287,551 14687,552 57826,553 2.054,554 37.7,556 15,558 1,559 2,561 2,564 1.756,565 1.913,566 3.549,567 0.312,569 1,573 99.393,574 1.875,575 4.208,576 5.11,577 5.261,578 5.261,579 5.261,580 3.075,581 4.514,582 5.005,583 3.783,584 1997.48,585 8.795,586 29744.8,591 303.58,592 1.554,593 4.964,594 0.208,595 0.011,596 0.065,597 0.04,598 0.035,599 0.029,600 0.017,601 0.013,602 0.012,603 0.008,604 0.439,605 0.17,606 0.88,607 1.514,608 174.782,609 -0.051,610 -0.125,611 0.028,612 -0.083,613 -0.066,614 -0.013,615 0.198,616 0.177,617 0.046,618 0.065,619 0.263,620 -0.001,621 -0.069,622 0.133,623 -0.083,624 0.138,625 -0.101,626 0.056,627 0.007,628 0.017,629 0.018,630 -0.002,631 0.006,632 0.01,633 0.077,634 0.009,635 0.088,636 0.031,637 0.088,638 0.051,639 -0.119,640 -0.057,641 -0.169,642 -0.093,643 -0.089,644 -0.13,645 0.055,646 -0.048,647 -0.087,648 -0.181,649 0.039,650 -0.202,651 0.086,652 -0.258,653 0.163,654 -0.284,655 0.074,656 -0.116,657 5.71,658 5.059,659 0.636,660 40.511,661 1.043,662 1.16,663 3.065,664 9.392,665 0.652,666 3.611,667 3.951,668 4.174,669 4.489,670 4.762,671 4.92,672 5.165,673 5.328,674 5.442,675 5.561,676 7.401,677 0.657,678 464.47,679 3.611,680 5.165,681 6.004,682 6.899,683 7.766,684 8.67,685 9.554,686 10.464,687 11.359,688 12.273,689 11.3,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,731 53,733 18,734 1,735 36,737 56,738 21,739 11,740 2,741 4,742 2,744 1,746 4,747 5,751 1,752 2,755 1,757 1,758 1,761 14,762 7,766 2,771 1,773 1,775 2,778 1,779 4,781 20,782 11,783 2,784 12,790 6,794 0.75,795 2,803 1,806 1,811 1,812 3,815 1,831 1,832 1,839 1,840 3,846 4,848 33,854 6,855 2,856 1,860 1,869 4,870 3.8,873 1,874 1,877 17.25,878 9.455,879 7.181,880 3.045,881 3.343,882 1.417,883 0.993,884 6.918,885 11.356,886 3.85,887 4.451,888 5.028,889 5.684,890 6.277,891 6.731,892 7.275,893 7.741,894 8.092,895 8.493,896 1,897 50,898 12.699,900 5.932,901 8.351,902 22.264,904 18.079,905 2.851,906 94.083,910 211.88,911 111.366,912 88.032,914 36.145,915 59.84,917 111.366,918 248.025,919 147.873,921 60.422,922 47.381,923 99.865,924 72.49,925 19.236,926 200.109,927 7.76,928 211.88,929 199.398,930 95.985,933 205.626,934 93.567,935 11,937 83.478,938 53.882,939 59.71,941 271.72,942 124.177,943 111.366,946 219.639,947 47.177,948 58.205,949 36.022,950 146.219,951 211.88,952 184.017,953 111.366,955 0.58,956 0.311,957 0.173,958 0.102,959 24,960 11,961 0.089,962 5,963 1,964 1.095,965 4.31,966 308.256,967 0.095,968 21,969 157.71,974 23.155,975 9.86,976 5.676,977 0.506,978 182.241,979 7.813,980 12.887,984 1.729,985 0.815,986 36.022,987 507.263,988 46,993 11.683,995 1.846,997 0.298,999 55.269,1000 61.504,1001 0.327,1002 0.735,1003 0.892,1004 0.918,1005 0.918,1006 0.918,1007 5.106,1008 1.517,1009 6.019,1010 5.517,1011 4.635,1012 5.139,1013 3.097,1014 6.855,1015 4.505,1016 6.328,1017 1.442,1018 7.591,1019 4.294,1020 4.369,1021 5.056,1022 3.176,1023 7.941,1024 4.112,1025 7.654,1026 1.348,1027 9.27,1028 3.843,1029 6.29,1030 7.366,1031 4.685,1032 10.964,1033 6.03,1034 9.016,1035 1.152,1036 11.011,1037 2.91,1038 6.815,1039 8.107,1040 5.504,1041 12.829,1042 6.432,1043 10.409,1044 1,1045 12.791,1046 2.495,1047 8.249,1048 9.934,1049 6.7,1050 15.426,1051 7.849,1052 11.825,1053 1,1054 14.598,1055 2.275,1056 9.118,1057 11.071,1058 7.734,1059 17.597,1060 8.617,1061 13.259,1062 0.786,1063 16.423,1064 2.136,1065 10.37,1066 12.707,1067 8.86,1068 20.06,1069 9.835,1070 3.288,1071 0.268,1072 18.261,1073 2.035,1074 11.395,1075 14.044,1076 9.948,1077 22.361,1078 10.78,1079 3.09,1080 11.454,1081 20.11,1082 0.474,1083 12.58,1084 15.605,1085 11.057,1086 24.782,1087 11.923,1088 2.79,1089 10.182,1090 21.967,1091 4.646,1092 13.676,1093 17.042,1094 12.158,1095 27.143,1096 12.955,1097 2.622,1098 8.937,1099 23.832,1100 3.793,1101 14.84,1102 18.578,1103 13.264,1104 29.555,1105 14.073,1106 2.529,1107 8.65,1108 25.702,1109 3.504,1110 15.971,1111 20.063,1112 14.368,1113 31.946,1114 15.15,1115 2.098,1116 7.346,1117 27.577,1118 3.198,1119 17.13,1120 21.592,1121 15.474,1122 34.359,1123 16.264,1124 1.937,1125 5.744,1126 29.457,1127 3.076,1128 18.279,1129 23.101,1130 16.579,1131 36.766,1132 17.365,1133 14334,1134 28606,1135 23.75,1136 34.546,1137 54.307,1138 55.52,1139 54.924,1140 53.899,1141 53.734,1142 68.348,1143 12.148,1144 156.584,1145 50.122,1146 5.616,1147 6.269,1148 6.72,1149 5.309,1150 5.288,1151 7.646,1152 4.53,1153 18.909,1154 5.138,1155 17.67,1156 1.509,1157 1.542,1158 1.526,1159 1.497,1160 1.493,1161 1.899,1162 0.337,1163 4.35,1164 1.392,1165 4.133,1166 4.179,1167 4.114,1168 3.992,1169 8.513,1170 4.015,1171 3.895,1172 3.932,1173 3.842,1174 3.806,1175 8.195,1176 3.809,1177 3.771,1178 3.812,1179 3.685,1180 3.603,1181 7.999,1182 3.616,1183 3.638,1184 3.706,1185 3.555,1186 3.378,1187 7.999,1188 3.406,1189 3.519,1190 3.572,1191 3.488,1192 3.241,1193 7.431,1194 3.284,1195 3.307,1196 3.365,1197 3.237,1198 3.062,1199 5.134,1200 3.093,1201 3.139,1202 3.2,1203 3.094,1204 2.884,1205 4.751,1206 2.898,1207 3.039,1208 3.129,1209 2.887,1210 2.839,1211 4.673,1212 2.85,1213 0.13,1214 0.119,1215 0.19,1216 0.118,1217 0.091,1218 4.695,1219 0.129,1220 4.269,1221 0.084,1222 6.856,1223 0.318,1224 4.233,1225 0.087,1226 3.288,1227 4.646,1228 3.02,1229 11.454,1230 3.138,1231 1.966,1232 1.938,1233 2.042,1234 2.088,1235 1.244,1236 2.072,1237 1.84,1238 1.813,1239 1.967,1240 1.965,1241 1.106,1242 1.964,1243 1.64,1244 1.592,1245 1.784,1246 1.892,1247 0.996,1248 1.854,1249 1.538,1250 1.465,1251 1.755,1252 1.818,1253 0.968,1254 1.803,1255 1.481,1256 1.42,1257 1.628,1258 1.721,1259 0.787,1260 1.697,1261 1.181,1262 1.131,1263 1.43,1264 1.47,1265 0.674,1266 1.433,1267 1.079,1268 0.993,1269 1.331,1270 1.395,1271 0.344,1272 1.348,1273 1.025,1274 0.965,1275 1.181,1276 1.296,1277 0.243,1278 1.31,1279 4.29,1281 5.624,1282 2.398,1283 7.14,1284 4.727,1285 8.742,1286 6.843,1287 10.397,1291 51.349,1295 -0.626,1296 4.904,1297 5.339,1301 -4.46,1305 34.832,1306 99.393,1307 223.05,1308 270.825,1309 278.825,1310 278.825,1311 278.825,1312 78.146,1313 8.013,1314 93.96,1315 93.96,1316 23,1317 12.79,1318 4.248,1319 3.459,1320 54.217,1321 141,1322 198,1323 0.184,1324 209.84,1325 373.82,1326 503.771,1327 32460,1328 7.5,1329 23.424,1330 0.71,1331 0.525,1332 20.217,1333 17.324,1334 15.837,1335 0.44,1336 0.281,1337 9.854,1338 14.765,1339 9.789,1340 7.957,1341 14.19,1342 10.126,1343 14.987,1344 0.294,1345 0.142,1346 12.277,1347 7.252,1348 11.2,1349 0.175,1350 0.076,1351 10.581,1352 4.874,1353 9.717,1354 0.11,1355 0.039,1356 9.124,1357 3.396,1358 8.171,1359 0.07,1360 0.02,1361 7.291,1362 2.307,1363 0.289,1364 102.616,1365 0.205,1366 30.617,1367 0.508,1368 174,1369 817.162,1370 211.071,1371 667.427,1372 865.17,1373 622,1374 202,1375 592.331,1376 230.977,1377 569.813,1378 854.55,1379 536,1380 5.638}
{0 CHEMBL590105,1 1.827,2 13.667,3 2.865,4 8.21,5 123.673,6 8.848,7 0.55,8 4.173,9 4.285,10 3.871,11 3.668,12 5.396,13 3.705,14 4.713,15 4.861,16 4.297,17 4.039,18 6.305,19 4.069,20 4.899,21 5.093,22 4.24,23 4.145,24 6.126,25 4.137,26 4.892,27 5.098,28 4.273,29 4.128,30 6.179,31 4.125,32 4.896,33 5.082,34 4.333,35 4.128,36 6.293,37 4.147,38 4.894,39 5.081,40 4.248,41 4.153,42 6.124,43 4.151,44 4.915,45 5.106,46 4.237,47 4.154,48 6.201,49 4.132,50 4.931,51 5.149,52 4.154,53 4.087,54 6.204,55 4.042,56 0.255,57 1.11,58 7.833,59 4.633,60 29.044,61 4.959,62 1.125,63 2.048,64 17.971,65 7.673,66 153.556,67 8.384,68 1.048,69 1.881,70 25.125,71 9.066,72 95.931,73 10.714,74 0.849,75 1.892,76 24.555,77 8.871,78 78.406,79 11.45,80 0.974,81 2.005,82 24.435,83 9.092,84 98.065,85 10.786,86 0.864,87 1.95,88 23.71,89 9.428,90 93.706,91 10.638,92 0.95,93 2.013,94 23.913,95 9.652,96 79.941,97 11.545,98 0.824,99 2.035,100 27.626,101 11.826,102 76.291,103 14.718,104 19,105 57,106 0.295,107 0.67,108 0.812,109 0.865,110 0.878,111 0.878,112 3.616,113 0.826,114 -4.13,115 -4.07,116 -3.85,119 42.9,121 1,125 3,132 1,135 1,136 1,142 6,143 2,144 2,145 3,146 1,149 1,159 1,161 1,166 1,172 7,174 2,175 10,178 2,179 1,180 3,183 6,186 1,187 8,190 1,192 3,195 4,198 2,199 11,204 4,207 2,211 2,212 13,215 1,217 3,220 6,224 5,227 2,229 1,232 10,236 3,237 5,245 8,249 2,250 4,253 3,255 2,258 3,263 3,266 1,268 2,271 1,275 2670,276 24.187,277 24.187,278 24.187,279 24.187,280 24.187,281 21.277,282 22.9,283 14.345,284 24.958,285 19.845,286 19.845,287 19.845,288 19.845,289 19.845,290 15.395,291 27.172,292 6.933,293 21.173,294 3.98,295 1.661,296 0.782,297 0.456,298 0.371,299 0.371,300 4.321,305 1,306 1077,307 4.062,310 90.778,311 460.123,314 159.988,318 2.167,319 55.695,322 1,323 0.67,324 1,325 0.8,327 1,328 1,329 0.78,330 82,331 492,332 4.695,333 4.269,334 6.856,335 4.233,336 3.288,337 4.646,338 3.02,339 11.454,340 3.138,341 4.202,342 3.562,343 6.458,344 3.928,345 3.09,346 3.794,347 1.656,348 10.182,349 2.742,350 4.137,351 3.291,352 6.107,353 3.772,354 2.796,355 3.507,356 1.151,357 8.937,358 2.631,359 3.973,360 2.874,361 6.039,362 3.607,363 2.643,364 3.476,365 0.247,366 8.65,367 2.539,368 3.948,369 2.788,370 5.567,371 3.561,372 2.621,373 3.181,375 7.634,376 2.366,377 3.764,378 2.548,379 5.323,380 3.363,381 2.399,382 3.075,384 6.925,385 2.303,386 3.41,387 2.416,388 5.091,389 2.952,390 1.975,391 2.661,393 5.74,394 1.924,395 3.286,396 2.331,397 4.678,398 2.872,399 1.92,400 2.507,402 5.114,403 1.806,404 2.968,405 1.862,406 4.412,407 2.45,408 1.503,409 2.177,411 4.256,412 1.421,413 2.843,414 1.535,415 4.341,416 2.351,417 1.442,418 1.974,420 3.843,421 1.321,422 2.711,423 1.519,424 3.762,425 2.337,426 1.374,427 1.786,428 2.995,429 1.296,430 2.5,431 1.465,432 3.569,433 2.073,434 1.152,435 1.5,436 2.899,437 1.054,438 2.5,439 1.287,440 3.433,441 2,442 1,443 1.5,445 2.275,446 1,447 2.489,448 1,449 3.414,450 1.969,451 1,452 1.477,454 2.136,455 0.963,456 2.233,457 1,458 3.247,459 1.956,460 1,461 1.102,463 2.136,464 0.953,465 16.324,466 0.453,467 0.99,468 0.027,469 48.75,470 1.354,471 24,472 0.667,473 24.75,474 0.688,475 28.935,476 0.804,477 38.876,478 0.694,479 42.652,480 1.185,481 9.959,482 0.277,483 7.395,484 0.205,485 0.073,486 0.031,487 0.3,490 3,493 0.648,494 1.092,495 0.613,496 1.072,497 0.58,498 0.892,499 0.609,500 0.846,501 0.757,502 0.952,503 0.423,504 0.929,505 0.881,506 0.816,507 1.031,508 0.911,509 0.855,510 0.995,511 0.603,512 0.832,513 0.811,514 0.979,515 0.545,516 0.966,517 0.816,518 0.922,519 0.828,520 0.95,521 0.853,522 0.909,523 0.937,524 0.96,525 1.029,526 1.027,527 0.878,528 1.043,529 0.726,530 0.903,531 1.031,532 1.115,533 0.659,534 1.173,535 0.686,536 1.142,537 0.866,538 1.33,539 0.707,540 1.24,541 8,542 0.269,543 3.333,544 2.194,545 1.879,546 1.73,547 0.95,548 0.583,549 0.493,550 0.334,551 20597,552 71543,553 2.113,554 35.7,556 13,558 3,559 2,561 2,564 1.775,565 1.991,566 3.665,567 0.259,569 1,573 102.328,574 1.827,575 4.147,576 5.026,577 5.352,578 5.437,579 5.437,580 3.069,581 4.628,582 5.136,583 3.916,584 2466.83,585 9.037,586 39881,591 325.212,592 1.463,593 5.103,594 0.2,595 0.009,596 0.058,597 0.04,598 0.034,599 0.029,600 0.017,601 0.011,602 0.011,603 0.009,604 0.418,605 0.33,606 0.75,607 0.783,608 197.219,609 -0.052,610 -0.127,611 0.034,612 -0.072,613 -0.08,614 -0.006,615 0.28,616 0.176,617 0.054,618 0.023,619 0.362,620 -0.038,621 -0.078,622 0.09,623 -0.137,624 0.045,625 -0.113,626 -0.04,627 0.051,628 -0.011,629 0.078,630 -0.041,631 0.065,632 0.012,633 0.023,634 -0.02,635 0.074,636 0.009,637 0.026,638 0.044,639 -0.148,640 -0.049,641 -0.152,642 -0.057,643 -0.109,644 -0.084,645 0.039,646 -0.002,647 -0.146,648 -0.142,649 0.013,650 -0.2,651 0.112,652 -0.249,653 0.129,654 -0.283,655 0.096,656 -0.145,657 5.703,658 5.232,659 0.75,660 46.25,661 1.035,662 1.147,663 2.897,664 8.395,665 0.676,666 3.714,667 4.06,668 4.29,669 4.605,670 4.868,671 4.997,672 5.231,673 5.394,674 5.509,675 5.642,676 8.139,677 0.678,678 495.51,679 3.714,680 5.273,681 6.116,682 7.009,683 7.874,684 8.775,685 9.654,686 10.559,687 11.447,688 12.356,689 12.5,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,731 56,733 24,734 1,735 40,737 60,738 24,739 16,740 2,741 4,742 2,746 5,747 6,751 1,752 1,755 1,757 1,758 1,761 19,762 5,766 2,771 1,773 1,775 2,779 3,781 20,782 11,783 2,784 12,790 7,794 0.8,795 2,803 1,805 1,806 1,811 1,812 4,815 1,831 1,832 1,839 1,840 4,846 3,848 36,854 4,855 2,856 1,860 1,869 3,870 3.6,873 1,874 1,877 18.083,878 10.095,879 7.681,880 3.183,881 4.171,882 1.496,883 1.018,884 6.685,885 12.575,886 3.989,887 4.608,888 5.184,889 5.831,890 6.409,891 6.794,892 7.324,893 7.786,894 8.132,895 8.546,896 0.889,897 55,898 13.763,900 6.41,901 8.16,902 24.457,904 20.009,905 2.66,906 95.75,910 211.88,911 140.594,912 104.818,914 36.145,915 44.88,917 140.594,918 248.025,919 149.698,921 49.847,922 66.334,923 140.193,924 93.341,925 4.276,926 176.567,927 7.76,928 211.88,929 245.412,930 81.025,933 190.666,934 93.567,935 11,937 90.997,938 75.591,939 76.496,941 256.76,942 140.962,943 140.594,946 219.639,947 39.358,948 95.253,949 36.022,950 148.045,951 211.88,952 185.843,953 140.594,955 0.585,956 0.316,957 0.178,958 0.102,959 28,960 12,961 0.083,962 5,963 1,964 1.074,965 4.652,966 351.106,967 0.074,968 27,969 177.362,974 23.927,975 10.059,976 5.729,977 0.541,978 184.066,979 14.584,980 16.958,984 2.406,985 0.836,986 36.022,987 538.317,988 53,993 12.232,995 1.865,997 0.421,999 57.974,1000 64.248,1001 0.315,1002 0.714,1003 0.865,1004 0.922,1005 0.936,1006 0.936,1007 5.239,1008 1.92,1009 6.125,1010 5.74,1011 4.745,1012 5.296,1013 3.097,1014 6.952,1015 4.626,1016 6.463,1017 1.503,1018 7.689,1019 5.114,1020 4.443,1021 5.139,1022 3.176,1023 7.997,1024 4.197,1025 7.784,1026 1.442,1027 9.358,1028 4.256,1029 6.389,1030 7.515,1031 4.685,1032 11.025,1033 6.143,1034 9.138,1035 1.374,1036 11.089,1037 3.843,1038 6.878,1039 8.177,1040 5.504,1041 12.864,1042 6.509,1043 10.523,1044 1.152,1045 12.86,1046 2.995,1047 8.329,1048 10.051,1049 6.7,1050 15.46,1051 7.945,1052 11.93,1053 1,1054 14.657,1055 2.899,1056 9.171,1057 11.126,1058 7.734,1059 17.617,1060 8.684,1061 13.355,1062 1,1063 16.474,1064 2.275,1065 10.43,1066 12.787,1067 8.86,1068 20.077,1069 9.911,1070 3.288,1071 1,1072 18.306,1073 2.136,1074 11.438,1075 14.085,1076 9.948,1077 22.371,1078 10.836,1079 3.09,1080 11.454,1081 20.148,1082 2.136,1083 12.624,1084 15.656,1085 11.057,1086 24.791,1087 11.98,1088 2.796,1089 10.182,1090 22,1091 4.646,1092 13.71,1093 17.07,1094 12.158,1095 27.148,1096 12.999,1097 2.643,1098 8.937,1099 23.86,1100 3.794,1101 14.871,1102 18.608,1103 13.264,1104 29.559,1105 14.115,1106 2.621,1107 8.65,1108 25.726,1109 3.507,1110 15.996,1111 20.081,1112 14.368,1113 31.948,1114 15.183,1115 2.399,1116 7.634,1117 27.597,1118 3.476,1119 17.153,1120 21.609,1121 15.474,1122 34.361,1123 16.294,1124 1.975,1125 6.925,1126 29.474,1127 3.181,1128 18.298,1129 23.112,1130 16.579,1131 36.767,1132 17.389,1133 19313,1134 36251,1135 26.929,1136 37.853,1137 61.046,1138 61.22,1139 60.546,1140 60.388,1141 60.169,1142 78.95,1143 12.148,1144 174.951,1145 56.539,1146 5.616,1147 6.269,1148 6.658,1149 5.309,1150 5.288,1151 7.646,1152 4.53,1153 18.909,1154 5.138,1155 16.472,1156 1.526,1157 1.53,1158 1.514,1159 1.51,1160 1.504,1161 1.974,1162 0.304,1163 4.374,1164 1.413,1165 4.134,1166 4.18,1167 4.115,1168 3.993,1169 8.513,1170 4.016,1171 3.911,1172 3.953,1173 3.861,1174 3.809,1175 7.999,1176 3.814,1177 3.848,1178 3.887,1179 3.789,1180 3.739,1181 7.999,1182 3.747,1183 3.77,1184 3.812,1185 3.685,1186 3.602,1187 7.431,1188 3.615,1189 3.532,1190 3.583,1191 3.511,1192 3.252,1193 5.135,1194 3.298,1195 3.413,1196 3.459,1197 3.373,1198 3.137,1199 4.908,1200 3.187,1201 3.167,1202 3.23,1203 3.137,1204 2.927,1205 4.749,1206 2.963,1207 3.042,1208 3.131,1209 2.899,1210 2.88,1211 4.672,1212 2.856,1213 0.117,1214 0.107,1215 0.171,1216 0.106,1217 0.082,1218 4.695,1219 0.116,1220 4.269,1221 0.076,1222 6.856,1223 0.286,1224 4.233,1225 0.078,1226 3.288,1227 4.646,1228 3.02,1229 11.454,1230 3.138,1231 1.967,1232 1.939,1233 2.042,1234 2.088,1235 1.244,1236 2.072,1237 1.846,1238 1.816,1239 1.969,1240 1.991,1241 1.106,1242 1.98,1243 1.814,1244 1.775,1245 1.931,1246 1.938,1247 0.969,1248 1.943,1249 1.638,1250 1.591,1251 1.759,1252 1.887,1253 0.944,1254 1.848,1255 1.483,1256 1.422,1257 1.629,1258 1.732,1259 0.787,1260 1.702,1261 1.266,1262 1.221,1263 1.43,1264 1.559,1265 0.674,1266 1.514,1267 1.079,1268 1.004,1269 1.391,1270 1.401,1271 0.364,1272 1.348,1273 1.06,1274 0.993,1275 1.201,1276 1.296,1277 0.244,1278 1.318,1279 4.394,1281 5.733,1282 2.398,1283 7.253,1284 4.727,1285 8.856,1286 6.843,1287 10.505,1291 39.41,1295 0.202,1296 5.379,1297 5.369,1301 -4.453,1305 37.944,1306 102.328,1307 232.218,1308 281.437,1309 299.702,1310 304.457,1311 304.457,1312 71.719,1313 8.404,1314 106.85,1315 106.85,1316 29,1317 12.877,1318 4.644,1319 3.807,1320 54.474,1321 171,1322 204,1323 0.15,1324 228.038,1325 399.47,1326 548.173,1327 56997,1328 5.4,1329 25.123,1330 0.698,1331 0.522,1332 22.623,1333 18.788,1334 17.354,1335 0.434,1336 0.275,1337 10.766,1338 16.357,1339 10.659,1340 8.718,1341 16.208,1342 11.015,1343 16.585,1344 0.291,1345 0.14,1346 14.228,1347 8.003,1348 12.61,1349 0.175,1350 0.075,1351 12.26,1352 5.413,1353 11.135,1354 0.112,1355 0.038,1356 10.602,1357 3.79,1358 9.23,1359 0.072,1360 0.02,1361 8.664,1362 2.555,1363 0.239,1364 111.115,1365 0.193,1366 33.137,1367 0.406,1368 194,1369 802.696,1370 230.125,1371 688.982,1372 912.7,1373 642,1374 226,1375 652.34,1376 254.993,1377 635.788,1378 947.37,1379 598,1380 7.18}
{0 CHEMBL590112,1 1.498,2 13.583,3 3.846,4 14.792,5 139.17,6 7.127,7 0.537,8 4.328,9 4.453,10 3.876,11 3.844,12 5.339,13 3.826,14 4.908,15 5.096,16 4.232,17 4.264,18 5.858,19 4.221,20 5.182,21 5.409,22 4.275,23 4.424,24 6.06,25 4.331,26 5.261,27 5.532,28 4.228,29 4.41,30 6.066,31 4.299,32 5.198,33 5.45,34 4.291,35 4.41,36 6.088,37 4.324,38 5.198,39 5.424,40 4.294,41 4.454,42 6.096,43 4.37,44 5.235,45 5.476,46 4.222,47 4.44,48 6.099,49 4.325,50 5.202,51 5.453,52 4.117,53 4.382,54 6.027,55 4.253,56 0.037,57 1.05,58 14.993,59 6.053,60 9.908,61 8.356,62 0.357,63 1.752,64 29.273,65 10.014,66 27.836,67 14.219,68 0.437,69 2.149,70 39.886,71 13.894,72 41.436,73 20.244,74 0.458,75 2.253,76 44.7,77 14.361,78 43.56,79 21.973,80 0.551,81 2.172,82 41.416,83 13.135,84 53.225,85 20.063,86 0.43,87 2.248,88 40.209,89 12.735,90 41.902,91 19.221,92 0.603,93 2.212,94 42.577,95 14.384,96 46.674,97 21.33,98 0.339,99 2.038,100 41.452,101 15.041,102 42.063,103 21.881,104 2,105 57,106 0.234,107 0.551,108 0.727,109 0.819,110 0.833,111 0.833,112 3.616,113 0.94,114 -5.51,115 -5.39,116 -5.03,119 41.2,121 2,122 1,125 8,142 9,143 2,144 1,146 1,147 1,149 1,160 1,161 1,172 12,174 4,175 6,180 2,183 11,186 4,187 9,192 2,195 5,198 3,199 8,204 1,207 2,211 2,212 12,215 2,220 5,223 1,224 6,232 7,236 4,237 9,240 2,245 8,250 5,253 1,258 6,262 2,263 7,268 1,271 3,275 2668,276 25.101,277 25.101,278 25.101,279 25.101,280 25.101,281 22.54,282 27.582,283 15.065,284 25.769,285 20.34,286 20.34,287 20.34,288 20.34,289 20.34,290 16.494,291 31.753,292 7.277,293 21.446,294 4.59,295 2.564,296 1.437,297 0.853,298 0.765,299 0.765,300 4.339,305 1,306 1099,307 2.739,310 82.085,311 554.235,314 149.184,318 2.13,319 26.921,322 0.75,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.82,330 77,331 489,332 4.676,333 3.352,334 6.844,335 4.197,336 3.26,337 4.628,338 0.916,339 11.409,340 3.054,341 4.177,342 3.025,343 6.132,344 3.777,345 2.808,346 3.806,347 0.86,348 9.04,349 2.724,350 3.946,351 2.923,352 6.113,353 3.704,354 2.75,355 3.457,356 0.8,357 8.91,358 2.636,359 3.915,360 2.858,361 5.618,362 3.597,363 2.661,364 3.297,365 0.172,366 7.784,367 2.511,368 3.604,369 2.559,370 5.386,371 3.413,372 2.434,373 2.995,375 7.034,376 2.351,377 3.577,378 2.431,379 5.086,380 3.173,381 2.229,382 2.629,384 6.109,385 2.097,386 3.239,387 2.328,388 5.05,389 3.036,390 2.09,391 2.325,393 6.002,394 1.969,395 3.057,396 2.178,397 4.908,398 2.809,399 1.882,400 2.148,402 5.468,403 1.737,404 2.938,405 1.791,406 4.34,407 2.423,408 1.477,409 2.131,411 4.059,412 1.413,413 2.823,414 1.532,415 4.312,416 2.414,417 1.449,418 1.922,420 3.796,421 1.386,422 2.701,423 1.513,424 3.753,425 2.312,426 1.394,427 1.779,428 3.036,429 1.264,430 2.617,431 1.281,432 3.591,433 2.156,434 1.207,435 1.659,436 2.909,437 1.144,438 2.5,439 1.256,440 3.477,441 2.008,442 1.075,443 1.5,445 2.536,446 1,447 2.432,448 1.139,449 3.42,450 2,451 1,452 1.416,454 2.275,455 0.995,456 2.076,457 1.077,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 17.067,466 0.474,467 0.705,468 0.02,469 46,470 1.278,471 21,472 0.583,473 25,474 0.694,475 33.769,476 0.938,477 38.733,478 0.57,479 35.138,480 0.976,481 8.797,482 0.244,483 8.929,484 0.248,485 0.02,487 0.305,493 0.926,494 1.506,495 0.812,496 1.174,497 0.858,498 1.01,499 1.186,500 1.055,501 0.992,502 0.951,503 0.728,504 0.941,505 0.93,506 1.173,507 1.009,508 1.09,509 0.807,510 1.068,511 0.786,512 1.013,513 0.895,514 0.919,515 0.737,516 0.909,517 0.819,518 0.974,519 0.883,520 0.843,521 0.738,522 0.853,523 1.089,524 1.136,525 1.158,526 1.057,527 0.931,528 1.084,529 0.813,530 1.012,531 1.107,532 1.087,533 0.823,534 1.118,535 0.807,536 1.073,537 0.996,538 1.134,539 0.816,540 1.096,541 6,542 0.176,543 3.111,544 1.694,545 1.786,546 1.157,547 0.757,548 0.591,549 0.338,550 0.197,551 21526,552 48538,553 2.221,554 47.1,556 25,558 1,559 1,561 5,564 1.776,565 2.16,566 3.676,567 -0.383,573 101.832,574 1.498,575 3.523,576 4.65,577 5.235,578 5.323,579 5.323,580 3.1,581 4.837,582 5.135,583 3.895,584 2453.7,585 9.04,586 39235.3,591 413.947,592 1.056,593 5.134,594 0.146,595 0.005,596 0.055,597 0.03,598 0.033,599 0.02,600 0.013,601 0.011,602 0.007,603 0.005,604 0.325,605 0.17,606 0.63,607 0.287,608 196.614,609 -0.022,610 -0.297,611 0.082,612 -0.096,613 -0.008,614 -0.013,615 -0.061,616 0.096,617 -0.031,618 0.035,619 0.042,620 0.008,621 0.023,622 -0.131,623 -0.043,624 -0.097,625 0.045,626 -0.089,627 0.028,628 -0.008,629 0.09,630 0.034,631 0.032,632 0.065,633 0.079,634 0.074,635 0.1,636 0.111,637 0.088,638 0.111,639 -0.15,640 -0.02,641 -0.192,642 -0.102,643 -0.151,644 -0.137,645 0.095,646 0.032,647 -0.136,648 -0.115,649 -0.031,650 -0.147,651 0.03,652 -0.109,653 -0.029,654 -0.124,655 0.066,656 -0.087,657 1.458,658 4.047,659 0.917,660 45.025,661 0.996,662 1.13,663 4.281,664 18.33,665 0.659,666 3.738,667 4.06,668 4.357,669 4.663,670 4.949,671 5.056,672 5.298,673 5.501,674 5.638,675 5.781,676 7.993,677 0.624,678 484.66,679 3.738,680 5.283,681 6.142,682 7.024,683 7.901,684 8.792,685 9.681,686 10.578,687 11.474,688 12.376,689 8.8,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,728 1,731 68,733 22,734 2,735 41,737 73,738 28,739 17,740 3,741 9,746 6,747 7,755 2,756 1,758 2,761 17,762 11,763 1,781 32,782 7,783 1,784 8,787 1,790 6,794 0.833,795 2,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 36,853 1,854 10,856 1,858 1,859 2,870 2.9,872 1,874 1,877 16.667,878 11.983,879 7.806,880 4.279,881 3.72,882 1.427,883 1,884 6.864,885 12.431,886 3.97,887 4.557,888 5.155,889 5.774,890 6.339,891 6.687,892 7.197,893 7.659,894 7.988,895 8.351,896 0.889,897 57,898 13.358,900 5.745,901 7.514,902 26.32,904 22.4,905 2.014,906 72.5,910 364.904,911 135.679,912 58.504,914 53.683,917 135.679,918 418.587,919 58.504,921 26.888,922 85.286,923 126.145,924 18.991,925 2.328,926 353.133,928 364.904,929 194.184,930 53.683,933 308.377,934 101.539,935 11,937 44.39,938 97.11,939 50.357,941 364.904,942 112.188,943 135.679,946 364.904,947 41.774,948 102.053,950 104.04,951 364.904,952 112.188,953 135.679,955 0.577,956 0.334,957 0.188,958 0.108,959 29,960 11,961 0.082,962 6,963 1,964 1.061,965 4.764,966 360.377,967 0.061,968 33,969 174.117,974 23.414,975 10.554,976 5.27,977 1.693,978 110.288,979 19.789,980 14.638,984 3.842,985 2.199,986 42.683,987 612.771,988 52,999 67.752,1000 76.806,1001 0.246,1002 0.579,1003 0.764,1004 0.86,1005 0.874,1006 0.874,1007 5.212,1008 1.882,1009 6.107,1010 6.002,1011 4.745,1012 5.244,1013 1.598,1014 6.907,1015 4.642,1016 6.389,1017 1.477,1018 7.647,1019 5.468,1020 4.205,1021 4.945,1022 0.57,1023 7.751,1024 4.041,1025 7.68,1026 1.449,1027 9.288,1028 4.059,1029 6.319,1030 7.421,1031 1.256,1032 10.887,1033 6.117,1034 9.007,1035 1.394,1036 10.99,1037 3.796,1038 6.635,1039 8.034,1040 0.581,1041 12.614,1042 6.366,1043 10.371,1044 1.207,1045 12.735,1046 3.036,1047 8.176,1048 9.952,1049 1.023,1050 15.255,1051 7.869,1052 11.763,1053 1.075,1054 14.51,1055 2.909,1056 8.906,1057 11.02,1058 0.515,1059 17.365,1060 8.528,1061 13.178,1062 1,1063 16.307,1064 2.536,1065 10.204,1066 12.702,1067 0.84,1068 19.846,1069 9.783,1070 3.26,1071 1,1072 18.122,1073 2.275,1074 11.146,1075 14.002,1076 0.441,1077 22.127,1078 10.65,1079 2.808,1080 11.409,1081 19.952,1082 2.136,1083 12.343,1084 15.584,1085 0.689,1086 24.56,1087 11.797,1088 2.75,1089 9.04,1090 21.793,1091 4.628,1092 13.392,1093 17,1094 0.373,1095 26.919,1096 12.772,1097 2.661,1098 8.91,1099 23.645,1100 3.806,1101 14.554,1102 18.543,1103 0.564,1104 29.34,1105 13.875,1106 2.434,1107 7.784,1108 25.505,1109 3.457,1110 15.657,1111 20.017,1112 0.314,1113 31.736,1114 14.906,1115 2.229,1116 7.034,1117 27.372,1118 3.297,1119 16.81,1120 21.546,1121 0.461,1122 34.158,1123 15.996,1124 2.09,1125 6.109,1126 29.247,1127 2.995,1128 17.943,1129 23.048,1130 0.264,1131 36.572,1132 17.056,1133 19575,1134 29602,1135 28.72,1136 44.841,1137 61.678,1138 61.686,1139 61.819,1140 61.543,1141 61.472,1142 77.904,1143 5.498,1144 174.558,1145 58.298,1146 5.676,1147 5.352,1148 6.646,1149 5.3,1150 5.26,1151 7.628,1152 1.776,1153 18.834,1154 5.054,1155 8.317,1156 1.504,1157 1.505,1158 1.508,1159 1.501,1160 1.499,1161 1.9,1162 0.134,1163 4.258,1164 1.422,1165 4.133,1166 4.185,1167 4.108,1168 3.971,1169 6.471,1170 3.997,1171 3.94,1172 3.984,1173 3.859,1174 3.858,1175 5.137,1176 3.853,1177 3.874,1178 3.904,1179 3.817,1180 3.785,1181 4.756,1182 3.79,1183 3.798,1184 3.848,1185 3.689,1186 3.67,1187 4.66,1188 3.668,1189 3.722,1190 3.781,1191 3.607,1192 3.499,1193 4.615,1194 3.517,1195 3.362,1196 3.431,1197 3.275,1198 3.162,1199 4.399,1200 3.176,1201 3.2,1202 3.269,1203 3.092,1204 3.022,1205 4.293,1206 3.034,1207 3.111,1208 3.206,1209 2.902,1210 2.941,1211 4.033,1212 2.91,1213 0.114,1214 0.082,1215 0.167,1216 0.102,1217 0.08,1218 4.676,1219 0.113,1220 3.352,1221 0.022,1222 6.844,1223 0.278,1224 4.197,1225 0.074,1226 3.26,1227 4.628,1228 0.916,1229 11.409,1230 3.054,1231 1.947,1232 1.913,1233 2.096,1234 2.099,1235 1.468,1236 2.093,1237 1.926,1238 1.893,1239 2.02,1240 2.052,1241 1.215,1242 2.047,1243 1.838,1244 1.791,1245 2.001,1246 1.956,1247 1.154,1248 1.974,1249 1.763,1250 1.717,1251 1.925,1252 1.944,1253 1.08,1254 1.943,1255 1.588,1256 1.535,1257 1.725,1258 1.807,1259 0.934,1260 1.79,1261 1.424,1262 1.352,1263 1.592,1264 1.673,1265 0.825,1266 1.652,1267 1.194,1268 1.123,1269 1.513,1270 1.414,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.745,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.259,1284 4.727,1285 8.866,1286 6.843,1287 10.52,1294 10.047,1295 9.352,1297 5.568,1299 0.584,1300 4.787,1305 42.406,1306 101.832,1307 239.596,1308 316.199,1309 355.947,1310 361.947,1311 361.947,1312 50.787,1313 8.711,1314 79.54,1315 79.54,1316 35,1317 12.899,1318 4.524,1319 3.585,1320 48.992,1321 167,1322 205,1323 0.137,1324 254.48,1325 432.38,1326 612.691,1327 82934,1329 24.321,1330 0.676,1331 0.568,1332 24.321,1333 20.461,1334 17.725,1335 0.432,1336 0.313,1337 12.653,1338 17.038,1339 12.434,1340 10.203,1341 17.725,1342 12.84,1343 15.853,1344 0.278,1345 0.172,1346 15.853,1347 9.795,1348 13.619,1349 0.177,1350 0.094,1351 13.619,1352 7.272,1353 11.77,1354 0.112,1355 0.05,1356 11.77,1357 5.28,1358 10.073,1359 0.072,1360 0.028,1361 10.073,1362 3.908,1363 0.217,1364 110.963,1365 0.187,1366 33.074,1367 0.373,1368 196,1369 503.756,1370 213.943,1371 487.765,1372 682.91,1373 462,1374 232,1375 512.864,1376 252.527,1377 519.758,1378 768.1,1379 490,1380 6.701}
{0 CHEMBL590325,1 1.647,2 13.441,3 1.963,4 3.851,5 124.678,6 8.027,7 0.564,8 4.193,9 4.319,10 3.836,11 3.679,12 5.311,13 3.698,14 4.716,15 4.89,16 4.163,17 4.034,18 5.822,19 4.032,20 4.915,21 5.135,22 4.203,23 4.132,24 5.967,25 4.112,26 4.901,27 5.121,28 4.2,29 4.129,30 5.995,31 4.103,32 4.903,33 5.119,34 4.172,35 4.116,36 6.02,37 4.1,38 4.868,39 5.062,40 4.181,41 4.129,42 5.985,43 4.112,44 4.883,45 5.088,46 4.081,47 4.18,48 5.885,49 4.119,50 4.941,51 5.166,52 3.926,53 4.19,54 5.875,55 4.055,56 0.131,57 0.977,58 10.43,59 4.437,60 9.858,61 5.722,62 0.481,63 1.49,64 20.843,65 7.162,66 31.923,67 9.643,68 0.638,69 1.696,70 28.754,71 8.466,72 45.929,73 12.041,74 0.509,75 1.704,76 27.354,77 8.557,78 42.868,79 12.294,80 0.581,81 1.65,82 28.112,83 8.016,84 58.558,85 11.336,86 0.628,87 1.663,88 25.414,89 7.611,90 52.001,91 10.392,92 0.563,93 1.661,94 25.821,95 8.649,96 37.616,97 12.016,98 0.415,99 1.619,100 28.783,101 12.223,102 47.233,103 17.021,104 2,105 55,106 0.265,107 0.639,108 0.766,109 0.798,110 0.804,111 0.809,112 3.561,113 0.868,114 -4.11,115 -4.06,116 -3.84,119 40.4,121 2,125 4,127 1,142 6,143 1,144 2,145 2,146 1,147 1,149 1,159 1,161 1,166 2,172 5,174 4,175 6,178 2,179 1,180 4,183 5,186 5,187 6,192 2,195 2,198 5,199 14,202 1,204 5,211 1,212 8,217 2,223 2,224 13,227 3,229 1,232 6,236 3,237 5,245 8,249 2,250 4,253 4,258 6,263 6,266 2,275 2210,276 23.739,277 23.739,278 23.739,279 23.739,280 23.739,281 21.1,282 28.502,283 14.131,284 24.378,285 19.334,286 19.334,287 19.334,288 19.334,289 19.334,290 15.275,291 38.192,292 6.797,293 20.361,294 4.186,295 1.866,296 1.079,297 0.877,298 0.842,299 0.807,300 4.276,304 1,305 1,306 1041,307 3.162,308 56.264,310 83.998,311 427.302,314 147.756,318 2.095,319 31.052,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 74.5,331 457,332 4.697,333 3.562,334 6.908,335 4.243,336 3.299,337 4.639,338 1.656,339 11.63,340 3.115,341 4.191,342 3.388,343 6.349,344 3.851,345 2.894,346 3.798,347 0.86,348 9.662,349 2.782,350 4.024,351 3.065,352 6.107,353 3.74,354 2.779,355 3.48,356 0.8,357 8.931,358 2.664,359 3.962,360 2.826,361 5.623,362 3.606,363 2.643,364 3.377,365 0.247,366 7.637,367 2.538,368 3.757,369 2.571,370 5.567,371 3.378,372 2.421,373 3.148,375 7.33,376 2.315,377 3.509,378 2.526,379 5.323,380 3.31,381 2.352,382 2.657,384 6.92,385 2.239,386 3.401,387 2.374,388 4.838,389 2.943,390 1.953,391 2.597,393 5.115,394 1.92,395 3.013,396 2.208,397 4.676,398 2.74,399 1.817,400 2.177,402 5.069,403 1.674,404 2.965,405 1.638,406 4.405,407 2.446,408 1.5,409 2.078,411 4.245,412 1.416,413 2.842,414 1.535,415 4.186,416 2.315,417 1.374,418 1.972,420 3.419,421 1.286,422 2.602,423 1.519,424 3.761,425 2.229,426 1.326,427 1.642,428 2.995,429 1.193,430 2.5,431 1.256,432 3.569,433 2.073,434 1.128,435 1.5,436 2.892,437 1.057,438 2.5,439 1.175,440 3.427,441 2,442 1,443 1.5,445 2.275,446 1,447 2.44,448 1,449 3.414,450 1.984,451 1,452 1.431,454 2.136,455 0.983,456 2.041,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.767,466 0.464,467 0.688,468 0.02,469 47.25,470 1.39,471 23,472 0.676,473 24.25,474 0.713,475 26.704,476 0.785,477 35.833,478 0.629,479 36.146,480 1.063,481 9.169,482 0.27,483 7.573,484 0.223,485 0.021,487 0.336,493 0.791,494 1.41,495 0.694,496 1.126,497 0.578,498 0.927,499 0.966,500 1.205,501 0.899,502 1.049,503 0.637,504 0.982,505 1.122,506 1.025,507 0.923,508 0.84,509 0.964,510 0.841,511 0.876,512 1.096,513 0.911,514 1.015,515 0.906,516 0.964,517 1.309,518 1.07,519 1.017,520 0.881,521 1.575,522 0.878,523 1.262,524 1.038,525 1.153,526 0.961,527 1.311,528 1.012,529 0.961,530 0.938,531 1.22,532 1.043,533 0.678,534 1.138,535 0.376,536 1.055,537 1.077,538 1.441,539 0.438,540 1.418,541 5.5,542 0.149,543 2.944,544 1.722,545 1.409,546 1.246,547 0.802,548 0.288,549 0.257,550 0.238,551 19155,552 51048,553 2.234,554 40.4,556 15,558 2,559 2,561 4,564 1.759,565 2.17,566 3.633,567 0.264,569 1,573 93.862,574 1.647,575 3.967,576 4.754,577 4.956,578 4.991,579 5.026,580 3.031,581 4.676,582 5.055,583 3.867,584 2169.19,585 8.864,586 33603.2,591 332.475,592 1.083,593 5.051,594 0.141,595 0.006,596 0.057,597 0.032,598 0.027,599 0.024,600 0.015,601 0.006,602 0.007,603 0.009,604 0.323,605 0.33,606 0.75,607 0.299,608 183.076,609 0.003,610 -0.195,611 0.077,612 -0.1,613 0.018,614 -0.017,615 0.059,616 -0.092,617 -0.011,618 -0.077,619 0.089,620 -0.072,621 -0.084,622 0.004,623 0.046,624 0.11,625 -0.043,626 0.101,627 0.007,628 -0.042,629 0.032,630 -0.062,631 0.024,632 -0.017,633 -0.225,634 -0.034,635 -0.051,636 0.063,637 -0.177,638 0.052,639 -0.179,640 0.065,641 -0.235,642 -0.029,643 -0.148,644 -0.12,645 -0.131,646 0.143,647 -0.321,648 -0.06,649 -0.105,650 -0.187,651 0.226,652 -0.115,653 -0.148,654 -0.341,655 0.15,656 -0.33,657 1.995,658 5.281,659 0.882,660 40.353,661 1.013,662 1.137,663 2.885,664 8.323,665 0.672,666 3.689,667 4.025,668 4.304,669 4.615,670 4.875,671 5.017,672 5.242,673 5.407,674 5.521,675 5.656,676 7.88,677 0.655,678 457.55,679 3.689,680 5.242,681 6.111,682 7.002,683 7.889,684 8.79,685 9.688,686 10.596,687 11.501,688 12.414,689 15.8,695 1,696 2,697 1,699 5,703 2,704 8,705 5,709 5,710 1,711 22,726 1,731 57,733 23,734 1,735 39,737 62,738 23,739 15,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 16,762 7,766 1,771 1,775 1,778 1,781 23,782 10,783 2,784 11,790 9,794 0.833,795 2,805 1,806 1,809 1,811 1,812 4,815 1,839 1,840 5,848 34,854 6,855 2,856 1,858 1,859 1,867 1,870 3.5,873 1,874 1,877 15.667,878 10.233,879 7.333,880 3.504,881 4.004,882 1.477,883 1.03,884 5.632,885 12.407,886 3.951,887 4.557,888 5.155,889 5.798,890 6.367,891 6.751,892 7.257,893 7.716,894 8.049,895 8.465,896 0.889,897 54,898 12.556,900 5.468,901 7.681,902 24.097,904 20.282,905 2.181,906 74.167,910 247.193,911 114.908,912 124.482,914 36.145,917 114.908,918 283.338,919 124.482,921 54.487,922 56.857,923 144.962,924 36.167,925 6.604,926 223.651,928 247.193,929 239.39,930 36.145,933 202.437,934 72.229,935 11,937 78.218,938 75.285,939 83.56,941 247.193,942 160.627,943 114.908,946 247.193,947 39.955,948 79.853,949 36.022,950 119.705,951 247.193,952 160.627,953 114.908,955 0.58,956 0.327,957 0.185,958 0.101,959 29,960 11,961 0.081,962 5,963 1,964 1.067,965 4.668,966 332.523,967 0.067,968 30,969 158.974,974 21.116,975 9.069,976 4.645,977 1.483,978 158.851,979 14.163,980 22.442,984 3.567,985 1.92,986 36.022,987 522.728,988 51,993 12.281,997 -0.328,999 57.756,1000 64.81,1001 0.282,1002 0.68,1003 0.815,1004 0.85,1005 0.856,1006 0.862,1007 5.196,1008 1.817,1009 6.084,1010 5.115,1011 4.71,1012 5.244,1013 2.109,1014 6.907,1015 4.612,1016 6.397,1017 1.5,1018 7.643,1019 5.069,1020 4.29,1021 5.027,1022 1.305,1023 7.847,1024 4.163,1025 7.704,1026 1.374,1027 9.303,1028 4.245,1029 6.319,1030 7.449,1031 2.545,1032 10.958,1033 6.125,1034 9.046,1035 1.326,1036 11.026,1037 3.419,1038 6.723,1039 8.095,1040 2.354,1041 12.746,1042 6.492,1043 10.423,1044 1.128,1045 12.79,1046 2.995,1047 8.219,1048 9.989,1049 3.285,1050 15.391,1051 7.928,1052 11.825,1053 1,1054 14.583,1055 2.892,1056 9.009,1057 11.067,1058 3.414,1059 17.537,1060 8.671,1061 13.247,1062 1,1063 16.398,1064 2.275,1065 10.289,1066 12.738,1067 4.168,1068 20.031,1069 9.895,1070 3.299,1071 1,1072 18.229,1073 2.136,1074 11.269,1075 14.041,1076 4.466,1077 22.337,1078 10.82,1079 2.894,1080 11.63,1081 20.074,1082 2.136,1083 12.465,1084 15.619,1085 5.115,1086 24.785,1087 11.959,1088 2.779,1089 9.662,1090 21.929,1091 4.639,1092 13.539,1093 17.036,1094 5.504,1095 27.163,1096 12.975,1097 2.643,1098 8.931,1099 23.794,1100 3.798,1101 14.706,1102 18.577,1103 6.092,1104 29.601,1105 14.085,1106 2.421,1107 7.637,1108 25.666,1109 3.48,1110 15.828,1111 20.052,1112 6.531,1113 32.014,1114 15.147,1115 2.352,1116 7.33,1117 27.545,1118 3.377,1119 16.99,1120 21.582,1121 7.084,1122 34.453,1123 16.251,1124 1.953,1125 6.92,1126 29.43,1127 3.148,1128 18.138,1129 23.085,1130 7.551,1131 36.883,1132 17.338,1133 17286,1134 28390,1135 27.334,1136 38.29,1137 59.123,1138 60.048,1139 59.254,1140 58.559,1141 58.604,1142 76.06,1143 7.126,1144 169.146,1145 55.761,1146 5.697,1147 5.562,1148 6.71,1149 5.347,1150 5.299,1151 7.639,1152 2.912,1153 19.198,1154 5.115,1155 7.814,1156 1.516,1157 1.54,1158 1.519,1159 1.502,1160 1.503,1161 1.95,1162 0.183,1163 4.337,1164 1.43,1165 4.139,1166 4.197,1167 4.117,1168 3.965,1169 7.431,1170 3.992,1171 3.923,1172 3.965,1173 3.867,1174 3.814,1175 5.222,1176 3.82,1177 3.857,1178 3.902,1179 3.795,1180 3.742,1181 4.91,1182 3.751,1183 3.796,1184 3.849,1185 3.694,1186 3.642,1187 4.786,1188 3.647,1189 3.661,1190 3.717,1191 3.548,1192 3.456,1193 4.628,1194 3.473,1195 3.411,1196 3.46,1197 3.366,1198 3.127,1199 4.515,1200 3.182,1201 3.135,1202 3.209,1203 3.099,1204 2.941,1205 4.207,1206 2.917,1207 3.111,1208 3.206,1209 2.866,1210 2.868,1211 4.073,1212 2.91,1213 0.12,1214 0.091,1215 0.177,1216 0.109,1217 0.085,1218 4.697,1219 0.119,1220 3.562,1221 0.042,1222 6.908,1223 0.298,1224 4.243,1225 0.08,1226 3.299,1227 4.639,1228 1.656,1229 11.63,1230 3.115,1231 1.946,1232 1.915,1233 2.026,1234 2.083,1235 1.216,1236 2.062,1237 1.824,1238 1.783,1239 1.937,1240 1.991,1241 1.107,1242 1.977,1243 1.777,1244 1.733,1245 1.924,1246 1.941,1247 0.949,1248 1.941,1249 1.597,1250 1.544,1251 1.713,1252 1.827,1253 0.935,1254 1.799,1255 1.309,1256 1.234,1257 1.513,1258 1.63,1259 0.825,1260 1.571,1261 1.236,1262 1.186,1263 1.513,1264 1.549,1265 0.825,1266 1.497,1267 1.153,1268 1.064,1269 1.459,1270 1.376,1271 0.679,1272 1.429,1273 1.153,1274 1.064,1275 1.355,1276 1.376,1277 0.323,1278 1.429,1279 4.369,1280 1.946,1281 5.7,1282 3.932,1283 7.231,1284 5.861,1285 8.848,1286 7.769,1287 10.515,1295 4.979,1296 5.606,1297 5.515,1299 0.357,1300 2.183,1305 37.31,1306 93.862,1307 226.104,1308 270.965,1309 282.475,1310 284.475,1311 286.475,1312 46.814,1313 8.403,1314 122.98,1315 122.98,1316 32,1317 12.929,1318 4.585,1319 3.7,1320 45.229,1321 158,1322 182,1323 0.135,1324 223.974,1325 376.24,1326 538.256,1327 56753,1329 22.907,1330 0.674,1331 0.541,1332 22.907,1333 18.386,1334 16.742,1335 0.429,1336 0.289,1337 11.073,1338 15.894,1339 10.95,1340 8.966,1341 16.742,1342 11.286,1343 15.061,1344 0.274,1345 0.151,1346 15.061,1347 8.3,1348 12.581,1349 0.172,1350 0.076,1351 12.581,1352 5.559,1353 11.037,1354 0.11,1355 0.039,1356 11.037,1357 3.863,1358 9.059,1359 0.07,1360 0.02,1361 9.059,1362 2.589,1363 0.216,1364 106.185,1365 0.191,1366 31.682,1367 0.364,1368 188,1369 565.653,1370 211.687,1371 542.968,1372 758.25,1373 512,1374 225,1375 580.507,1376 250.412,1377 579.187,1378 853.86,1379 547,1380 8.222}
{0 CHEMBL590355,1 1.532,2 8.821,3 3.529,4 12.455,5 104.696,6 7.76,7 0.688,8 4,9 4.107,10 3.617,11 3.571,12 5.111,13 3.562,14 4.527,15 4.674,16 3.981,17 3.969,18 5.596,19 3.943,20 4.784,21 4.988,22 4.028,23 4.077,24 5.787,25 4.023,26 4.784,27 5.012,28 4.009,29 4.046,30 5.782,31 3.994,32 4.731,33 4.933,34 4.043,35 4.067,36 5.8,37 4.022,38 4.759,39 4.955,40 4.029,41 4.099,42 5.766,43 4.05,44 4.781,45 4.979,46 3.969,47 4.097,48 5.795,49 4.022,50 4.776,51 4.979,52 3.833,53 4.079,54 5.774,55 3.967,56 0.053,57 0.712,58 9.083,59 4.298,60 8.635,61 5.289,62 0.168,63 1.179,64 17.164,65 7.204,66 19.819,67 9.062,68 0.266,69 1.473,70 25.041,71 9.243,72 34.331,73 12.338,74 0.317,75 1.52,76 25.682,77 8.63,78 35.651,79 11.977,80 0.369,81 1.452,82 23.131,83 8.064,84 40.197,85 11.078,86 0.244,87 1.501,88 23.225,89 8.152,90 25.749,91 10.909,92 0.439,93 1.461,94 24.36,95 8.978,96 33.846,97 12.002,98 0.188,99 1.358,100 24.482,101 10.626,102 33.948,103 14.105,104 2,105 45,106 0.256,107 0.599,108 0.73,109 0.816,110 0.837,111 0.837,112 3.376,113 0.888,114 -4.97,115 -4.87,116 -4.57,119 45.8,121 2,122 1,125 2,142 9,143 2,144 2,145 1,146 1,149 1,161 1,166 1,172 10,174 2,175 11,180 2,183 10,186 1,187 11,192 2,195 6,198 2,199 11,204 1,207 4,211 1,212 15,215 2,220 8,224 6,232 11,236 3,237 5,240 1,242 2,245 16,250 4,253 1,255 2,258 14,263 3,268 2,271 8,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.069,282 17.645,283 11.727,284 19.951,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 12.107,291 15.208,292 5.627,293 16.509,294 4.053,295 2.006,296 1.219,297 0.708,298 0.583,299 0.583,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 22.63,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60,331 247,332 4.706,333 3.383,334 6.903,335 4.248,336 3.288,337 4.661,338 0.86,339 11.617,340 3.158,341 4.214,342 3.002,343 6.328,344 3.819,345 2.854,346 3.836,348 9.591,349 2.755,350 4.062,351 2.867,352 6.124,353 3.74,354 2.76,355 3.607,357 9.006,358 2.698,359 3.652,360 2.509,361 5.574,362 3.32,363 2.344,364 3.052,366 7.156,367 2.288,368 3.595,369 2.366,370 5.05,371 3.153,372 2.2,373 2.985,375 6.076,376 2.088,377 3.139,378 2.2,379 4.792,380 2.793,381 1.843,382 2.295,384 4.963,385 1.753,386 2.94,387 1.685,388 4.327,389 2.458,390 1.513,391 2.138,393 4.043,394 1.422,395 2.853,396 1.532,397 4.161,398 2.422,399 1.468,400 1.964,402 3.569,403 1.394,404 2.652,405 1.338,406 3.753,407 2.17,408 1.225,409 1.721,411 2.916,412 1.156,413 2.5,414 1.2,415 3.5,416 2.087,417 1.133,418 1.5,420 2.602,421 1.067,422 2.5,423 1.168,424 3.474,425 2,426 1,427 1.5,428 2.488,429 1,430 2.393,431 1,432 3.399,433 1.969,434 1,435 1.376,436 2.136,437 0.964,438 2.01,439 1,440 3.247,441 1.967,442 1,443 1,445 2.136,446 0.963,447 2,448 0.692,449 3.247,450 1.578,451 0.634,452 0.859,454 1.753,455 0.596,456 1.06,457 -0.057,458 2.756,459 0.629,460 -0.317,461 -0.411,463 -0.808,464 -0.298,465 13.267,466 0.474,467 0.551,468 0.02,469 39,470 1.393,471 20.5,472 0.732,473 18.5,474 0.661,475 21.575,476 0.771,477 28.733,478 0.599,479 28.378,480 1.013,481 7.53,482 0.269,483 6.263,484 0.224,485 0.025,487 0.332,493 0.84,494 1.156,495 0.734,496 0.997,497 0.887,498 0.88,499 1.029,500 1.185,501 0.893,502 1.041,503 0.736,504 0.971,505 1.051,506 1.177,507 0.922,508 0.976,509 0.89,510 0.94,511 0.948,512 1.029,513 0.899,514 0.842,515 0.863,516 0.841,517 0.839,518 1.041,519 0.923,520 0.862,521 0.779,522 0.879,523 1.083,524 1.085,525 1.091,526 0.977,527 0.841,528 0.996,529 0.911,530 0.918,531 1.144,532 1.015,533 0.879,534 1.083,535 0.735,536 1.059,537 1.088,538 1.277,539 0.941,540 1.25,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 23449,553 2.223,554 41.7,556 13,558 1,559 1,560 1,561 4,564 1.72,565 2.154,566 3.136,567 -0.358,569 1,573 73.532,574 1.532,575 3.579,576 4.366,577 4.877,578 5.002,579 5.002,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,590 1,591 268.078,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.33,606 0.88,607 0.343,608 136.928,609 0.006,610 -0.059,611 0.063,612 -0.013,613 -0.067,614 0.02,615 -0.038,616 -0.121,617 -0.021,618 -0.073,619 0.011,620 -0.058,621 -0.073,622 -0.159,623 0.036,624 -0.015,625 0.005,626 0.013,627 -0.053,628 0.043,629 0.075,630 0.084,631 -0.016,632 0.099,633 0.052,634 0.058,635 0.01,636 0.065,637 0.063,638 0.04,639 -0.197,640 0.029,641 -0.175,642 -0.058,643 -0.127,644 -0.091,645 0.048,646 0.139,647 -0.21,648 -0.067,649 -0.069,650 -0.151,651 0.041,652 -0.134,653 -0.155,654 -0.248,655 0.029,656 -0.233,657 1.467,658 3.909,659 0.964,660 24,661 1.003,662 1.119,663 3.739,664 13.983,665 0.688,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.661,678 372.46,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 8.3,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,728 1,731 48,733 22,734 2,735 32,737 52,738 22,739 17,740 3,741 9,746 5,747 6,755 2,756 1,758 2,761 17,762 5,763 1,777 1,778 1,781 20,782 5,783 1,784 6,790 4,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,839 1,840 4,848 28,853 1,854 4,856 1,858 1,870 4.2,872 1,874 1,877 13,878 8.583,879 6.083,880 2.977,881 3.807,882 1.481,883 1.009,884 4.456,885 11.718,886 3.784,887 4.422,888 5.09,889 5.763,890 6.374,891 6.809,892 7.376,893 7.889,894 8.298,895 8.721,896 0.833,897 46,898 10.344,900 4.495,901 7.625,902 20.007,904 16.942,905 2.125,906 59.5,909 1,910 223.651,911 123.903,912 52.011,914 53.683,917 123.903,918 277.334,919 52.011,921 14.254,922 85.286,923 117.404,924 24.424,926 211.88,928 223.651,929 175.913,930 53.683,933 178.894,934 89.768,935 11,937 29.55,938 93.802,939 50.234,941 223.651,942 105.694,943 123.903,946 223.651,947 29.569,948 96.11,950 103.917,951 223.651,952 105.694,953 123.903,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.058,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 126.606,974 17.207,975 7.25,976 3.262,977 1.751,978 103.917,979 18.897,980 14.344,984 3.55,985 1.853,986 42.683,987 453.248,988 43,999 48.131,1000 53.734,1001 0.274,1002 0.641,1003 0.782,1004 0.873,1005 0.896,1006 0.896,1007 5.014,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.109,1013 0.908,1014 6.725,1015 4.435,1016 6.219,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.856,1023 7.662,1024 3.895,1025 7.528,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.364,1031 0.739,1032 10.826,1033 5.968,1034 8.879,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 8.024,1041 12.643,1042 6.312,1043 10.268,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 9.954,1049 0.593,1050 15.31,1051 7.811,1052 11.684,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 11.056,1059 17.479,1060 8.566,1061 13.123,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.743,1067 0.469,1068 19.984,1069 9.83,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 14.066,1077 22.301,1078 10.78,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.652,1085 0.366,1086 24.754,1087 11.95,1088 2.76,1089 9.591,1090 21.845,1091 4.661,1092 13.406,1093 17.083,1095 27.137,1096 12.993,1097 2.344,1098 9.006,1099 23.72,1100 3.836,1101 14.581,1102 18.631,1103 0.283,1104 29.577,1105 14.129,1106 2.2,1107 7.156,1108 25.601,1109 3.607,1110 15.712,1111 20.114,1113 31.991,1114 15.216,1115 1.843,1116 6.076,1117 27.488,1118 3.052,1119 16.881,1120 21.649,1121 0.217,1122 34.43,1123 16.344,1124 1.513,1125 4.963,1126 29.38,1127 2.985,1128 18.034,1129 23.159,1131 36.861,1132 17.454,1133 8616,1134 13798,1135 22.364,1136 33.023,1137 48.809,1138 48.68,1139 49.005,1140 48.581,1141 48.523,1142 64.99,1143 1.72,1144 140.1,1145 46.603,1146 5.706,1147 5.383,1148 6.705,1149 5.324,1150 5.288,1151 7.661,1152 1.72,1153 19.164,1154 5.158,1155 6.891,1156 1.525,1157 1.521,1158 1.531,1159 1.518,1160 1.516,1161 2.031,1162 0.054,1163 4.378,1164 1.456,1165 4.147,1166 4.191,1167 4.126,1168 4.01,1169 6.471,1170 4.032,1171 3.894,1172 3.923,1173 3.838,1174 3.822,1175 5.144,1176 3.821,1177 3.831,1178 3.864,1179 3.751,1180 3.751,1181 4.76,1182 3.747,1183 3.719,1184 3.764,1185 3.611,1186 3.558,1187 4.621,1188 3.565,1189 3.242,1190 3.304,1191 3.2,1192 3.03,1193 4.604,1194 3.062,1195 3.111,1196 3.206,1197 2.932,1198 2.941,1199 4.395,1200 2.91,1201 3.018,1202 3.061,1203 2.866,1204 2.834,1205 3.967,1206 2.849,1207 2.925,1208 2.968,1209 2.795,1210 2.746,1211 3.674,1212 2.747,1213 0.147,1214 0.106,1215 0.216,1216 0.133,1217 0.103,1218 4.706,1219 0.146,1220 3.383,1221 0.027,1222 6.903,1223 0.363,1224 4.248,1225 0.099,1226 3.288,1227 4.661,1228 0.86,1229 11.617,1230 3.158,1231 1.972,1232 1.943,1233 2.064,1234 2.099,1235 1.393,1236 2.086,1237 1.887,1238 1.857,1239 2.009,1240 1.994,1241 1.102,1242 1.999,1243 1.829,1244 1.799,1245 1.978,1246 1.953,1247 1.065,1248 1.962,1249 1.597,1250 1.556,1251 1.714,1252 1.769,1253 0.862,1254 1.757,1255 1.252,1256 1.179,1257 1.513,1258 1.539,1259 0.825,1260 1.495,1261 1.153,1262 1.064,1263 1.361,1264 1.376,1265 0.42,1266 1.429,1267 0.998,1268 0.96,1269 1.187,1270 1.174,1271 0.329,1272 1.167,1273 0.886,1274 0.838,1275 1.181,1276 1.159,1277 0.257,1278 1.156,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.909,1295 3.346,1297 5.541,1299 0.309,1305 31.73,1306 73.532,1307 171.8,1308 209.549,1309 234.078,1310 240.078,1311 240.078,1312 37.867,1313 7.911,1314 73.06,1315 73.06,1316 29,1317 12.772,1318 4.524,1319 3.585,1320 37.229,1321 95,1322 93,1323 0.195,1324 190.731,1325 318.94,1326 457.143,1327 27442,1329 18.924,1330 0.676,1331 0.547,1332 18.924,1333 15.324,1334 13.793,1335 0.431,1336 0.296,1337 9.355,1338 13.302,1339 9.208,1340 7.567,1341 13.793,1342 9.477,1343 12.292,1344 0.273,1345 0.156,1346 12.292,1347 6.999,1348 10.787,1349 0.171,1350 0.082,1351 10.787,1352 5.171,1353 9.528,1354 0.108,1355 0.043,1356 9.528,1357 3.744,1358 8.076,1359 0.068,1360 0.022,1361 8.076,1362 2.618,1363 0.294,1364 86.142,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 422.466,1370 167.669,1371 410.653,1372 577.99,1373 388,1374 185,1375 441.819,1376 199.949,1377 445.476,1378 659.21,1379 422,1380 5.994}
{0 CHEMBL590356,1 1.785,2 12.286,3 3.214,4 10.328,5 105.25,6 8.479,7 0.516,8 3.972,9 4.077,10 3.686,11 3.553,12 5.107,13 3.529,14 4.502,15 4.653,16 4.029,17 3.931,18 5.676,19 3.881,20 4.686,21 4.885,22 4.051,23 3.992,24 5.794,25 3.931,26 4.642,27 4.843,28 4.013,29 3.974,30 5.766,31 3.911,32 4.654,33 4.842,34 4.033,35 4.005,36 5.922,37 3.925,38 4.61,39 4.775,40 3.956,41 4.03,42 5.663,43 3.919,44 4.642,45 4.855,46 3.776,47 3.918,48 5.656,49 3.786,50 4.543,51 4.799,52 3.531,53 3.651,54 5.616,55 3.514,56 0.085,57 0.78,58 8.199,59 4.354,60 10.324,61 4.907,62 0.418,63 1.259,64 18.244,65 7.673,66 39.173,67 8.518,68 0.506,69 1.453,70 24.92,71 8.603,72 51.991,73 10.492,74 0.373,75 1.374,76 21.672,77 8.206,78 44.896,79 9.992,80 0.632,81 1.381,82 25.261,83 8.886,84 82.789,85 10.251,86 0.318,87 1.341,88 23.604,89 9.84,90 32.371,91 11.099,92 0.3,93 1.302,94 23.656,95 9.718,96 30.879,97 12.139,98 0.468,99 1.144,100 25.134,101 8.98,102 54.09,103 11.363,104 10,105 42,106 0.302,107 0.694,108 0.848,109 0.876,110 0.876,111 0.876,112 3.375,113 0.954,114 -3.63,115 -3.6,116 -3.43,119 42.6,121 1,125 4,135 1,136 1,142 5,143 1,144 1,146 2,149 1,151 1,152 1,159 1,172 6,174 1,175 6,178 2,179 1,180 2,183 6,187 9,192 2,195 3,199 8,204 3,207 5,211 1,212 4,217 2,220 9,224 2,227 2,229 1,232 10,236 1,237 2,245 6,249 2,250 2,253 2,255 2,263 2,268 3,275 1298,276 19.438,277 19.438,278 19.438,279 19.438,280 19.438,281 17.272,282 15.123,283 11.861,284 20.056,285 15.329,286 15.329,287 15.329,288 15.329,289 15.329,290 11.942,291 16.546,292 5.641,293 16.303,294 3.769,295 1.457,296 0.545,297 0.383,298 0.383,299 0.383,300 4.075,304 1,305 1,306 750,307 3.24,310 68.072,311 243.188,314 119.081,318 1.98,319 28.941,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61.5,331 344,332 4.624,333 3.546,334 6.731,335 4.141,336 3.193,337 4.553,338 1.656,339 11.011,340 3.028,341 4.159,342 3.241,343 6.107,344 3.763,345 2.785,346 3.775,347 1.151,348 8.933,349 2.722,350 3.913,351 2.839,352 5.766,353 3.512,354 2.545,355 3.336,356 0.247,357 7.811,358 2.451,359 3.824,360 2.687,361 5.471,362 3.44,363 2.482,364 3.194,366 7.34,367 2.368,368 3.472,369 2.398,370 4.827,371 3.065,372 2.091,373 2.709,375 5.52,376 2.026,377 3.131,378 2.234,379 4.679,380 2.714,381 1.79,382 2.326,384 4.789,385 1.649,386 2.962,387 2.168,388 4.416,389 2.429,390 1.514,391 2.164,393 4.266,394 1.376,395 2.548,396 1.568,397 3.715,398 2.275,399 1.348,400 1.57,402 2.926,403 1.229,404 2.5,405 1.535,406 3.455,407 2.122,408 1.234,409 1.5,411 2.505,412 1.08,413 2.447,414 1.458,415 3.414,416 2,417 1.047,418 1.422,420 2.38,421 1,422 2.438,423 1.22,424 3.377,425 1.969,426 1,427 1.414,428 2.275,429 0.963,430 2.111,431 1.062,432 3.325,433 1.932,434 1,435 1.045,436 2.136,437 0.904,438 1.961,439 1,440 3.247,441 1.438,442 0.551,443 0.772,445 1.498,446 0.48,447 1.354,448 0.641,449 2.76,450 1.121,451 0.261,452 0.275,454 0.452,455 0.219,456 1.266,457 0.484,458 2.69,459 0.86,460 -0.105,461 -0.133,463 -0.226,464 -0.099,465 13.386,466 0.478,467 0.516,468 0.018,469 36,470 1.286,471 17.5,472 0.625,473 18.5,474 0.661,475 22.232,476 0.794,477 29.814,478 0.634,479 26.486,480 0.946,481 7.153,482 0.255,483 6.588,484 0.235,485 0.046,487 0.299,488 1,493 0.709,494 1.092,495 0.692,496 0.931,497 0.561,498 0.869,499 0.955,500 0.949,501 0.941,502 0.908,503 0.779,504 0.92,505 0.945,506 0.933,507 0.897,508 0.883,509 0.868,510 0.892,511 0.877,512 0.915,513 0.824,514 0.811,515 0.86,516 0.885,517 0.811,518 0.7,519 1.105,520 0.884,521 0.817,522 0.887,523 0.686,524 0.956,525 1.283,526 1.337,527 0.706,528 1.271,529 0.577,530 1.028,531 1.02,532 1.217,533 0.472,534 1.263,535 0.745,536 0.942,537 0.914,538 1.016,539 0.733,540 1.041,541 4.5,542 0.137,543 2.667,544 1.313,545 1.288,546 0.948,547 0.461,548 0.246,549 0.206,550 0.158,551 10212,552 32743,553 2.137,554 40.4,556 14,557 1,559 2,561 2,564 1.709,565 2.049,566 3.526,567 0.282,568 1,569 1,573 83.916,574 1.785,575 4.098,576 5.01,577 5.172,578 5.172,579 5.172,580 3.085,581 4.45,582 4.771,583 3.704,584 1400.08,585 8.294,586 18620,588 1,590 1,591 261.066,592 1.198,593 4.76,594 0.145,595 0.008,596 0.063,597 0.031,598 0.031,599 0.023,600 0.012,601 0.008,602 0.009,603 0.008,604 0.34,605 0.33,606 1,607 1.302,608 141.476,609 -0.063,610 -0.083,611 0.051,612 0.017,613 -0.048,614 0.029,615 -0.023,616 0.078,617 -0.045,618 0.069,619 -0.028,620 -0.002,621 -0.077,622 0.016,623 0.02,624 0.057,625 -0.064,626 0.06,627 -0.124,628 0.005,629 0.025,630 0.086,631 -0.072,632 0.056,633 0.048,634 0.237,635 -0.083,636 0.131,637 0.118,638 0.067,639 -0.033,640 -0.024,641 -0.254,642 -0.237,643 -0.087,644 -0.268,645 0.05,646 -0.181,647 -0.099,648 -0.233,649 0.028,650 -0.234,651 0.146,652 -0.051,653 0.086,654 -0.039,655 0.119,656 0.018,657 2.102,658 4.634,659 0.75,660 30.026,661 1.015,662 1.128,663 2.404,664 5.777,665 0.694,666 3.466,667 3.761,668 4.043,669 4.331,670 4.575,671 4.691,672 4.89,673 5.024,674 5.081,675 5.187,676 6.944,677 0.666,678 398.5,679 3.466,680 4.99,681 5.838,682 6.711,683 7.581,684 8.466,685 9.348,686 10.239,687 11.129,688 12.024,689 8.5,696 2,699 2,703 2,704 6,705 2,708 1,709 4,711 16,731 47,733 18,734 1,735 31,737 50,738 20,739 12,740 2,741 4,742 2,744 1,746 4,747 5,751 1,752 1,755 1,758 1,761 15,762 5,766 2,771 1,773 1,775 2,778 1,779 1,781 19,782 7,783 2,784 8,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,831 1,832 1,839 1,840 3,842 1,846 1,848 28,854 5,855 2,856 1,865 1,869 1,870 4.3,873 1,874 1,877 13.667,878 8.376,879 6.278,880 2.764,881 3.412,882 1.445,883 1.012,884 5.937,885 11.08,886 3.738,887 4.327,888 4.941,889 5.579,890 6.145,891 6.565,892 7.083,893 7.531,894 7.829,895 8.24,896 1,897 42,898 10.353,900 4.401,901 7.863,902 19.653,904 16.053,905 2.363,906 66.167,909 1,910 200.109,911 139.458,912 69.593,914 36.145,915 14.96,916 31.278,917 108.18,918 236.254,919 84.553,921 58.316,922 64.507,923 69.716,924 16.357,925 31.753,926 219.615,928 200.109,929 177.772,930 51.105,931 31.278,933 193.855,934 48.687,935 11,937 63.217,938 69.18,939 43.047,940 31.278,941 215.069,942 105.737,943 139.458,946 200.109,947 74.951,948 64.507,949 36.022,950 84.676,951 200.109,952 120.697,953 139.458,955 0.566,956 0.327,957 0.183,958 0.102,959 20,960 8,961 0.08,962 4,963 1,964 1.095,965 4.057,966 242.228,967 0.095,968 21,969 130.606,970 1,974 18.975,975 8.761,976 4.396,977 2.005,978 120.697,979 11.3,980 9.524,983 1.639,984 3.077,986 36.022,987 460.264,988 41,993 11.634,995 2.081,997 0.75,999 47.72,1000 52.993,1001 0.321,1002 0.738,1003 0.902,1004 0.931,1005 0.931,1006 0.931,1007 4.956,1008 1.348,1009 5.796,1010 4.266,1011 4.443,1012 5.014,1013 2.134,1014 6.589,1015 4.335,1016 6.148,1017 1.234,1018 7.334,1019 2.926,1020 3.892,1021 4.783,1022 1.195,1023 7.445,1024 3.786,1025 7.45,1026 1.047,1027 8.975,1028 2.505,1029 6.004,1030 7.234,1031 2.688,1032 10.575,1033 5.815,1034 8.792,1035 1,1036 10.681,1037 2.38,1038 6.33,1039 7.902,1040 2.324,1041 12.31,1042 6.127,1043 10.171,1044 1,1045 12.43,1046 2.275,1047 7.858,1048 9.788,1049 3.41,1050 14.938,1051 7.591,1052 11.575,1053 0.551,1054 14.209,1055 2.136,1056 8.6,1057 10.882,1058 3.407,1059 17.038,1060 8.298,1061 12.999,1062 0.261,1063 16.009,1064 1.498,1065 9.887,1066 12.538,1067 4.248,1068 19.501,1069 9.53,1070 3.193,1071 -0.105,1072 17.826,1073 0.452,1074 10.833,1075 13.844,1076 4.464,1077 21.761,1078 10.43,1079 2.785,1080 11.011,1081 19.656,1082 -0.226,1083 12.021,1084 15.406,1085 5.159,1086 24.17,1087 11.566,1088 2.545,1089 8.933,1090 21.496,1091 4.553,1092 13.068,1093 16.816,1094 5.504,1095 26.502,1096 12.559,1097 2.482,1098 7.811,1099 23.345,1100 3.775,1101 14.22,1102 18.342,1103 6.115,1104 28.896,1105 13.659,1106 2.091,1107 7.34,1108 25.201,1109 3.336,1110 15.317,1111 19.803,1112 6.531,1113 31.26,1114 14.699,1115 1.79,1116 5.52,1117 27.062,1118 3.194,1119 16.459,1120 21.316,1121 7.095,1122 33.651,1123 15.788,1124 1.514,1125 4.789,1126 28.929,1127 2.709,1128 17.581,1129 22.803,1130 7.551,1131 36.032,1132 16.853,1133 9774,1134 17590,1135 21.266,1136 32.608,1137 45.857,1138 47.847,1139 46.71,1140 45.557,1141 45.685,1142 60.109,1143 6.108,1144 127.684,1145 42.988,1146 5.545,1147 5.546,1148 6.596,1149 5.24,1150 5.193,1151 7.553,1152 2.912,1153 18.221,1154 5.028,1155 10.288,1156 1.479,1157 1.543,1158 1.507,1159 1.47,1160 1.474,1161 1.939,1162 0.197,1163 4.119,1164 1.387,1165 4.094,1166 4.115,1167 4.32,1168 4.068,1169 8.195,1170 4.031,1171 3.883,1172 3.911,1173 3.876,1174 3.829,1175 7.431,1176 3.815,1177 3.744,1178 3.777,1179 3.693,1180 3.634,1181 5.058,1182 3.622,1183 3.63,1184 3.697,1185 3.549,1186 3.378,1187 4.707,1188 3.403,1189 3.323,1190 3.376,1191 3.338,1192 3.142,1193 4.654,1194 3.148,1195 3.177,1196 3.224,1197 3.143,1198 2.933,1199 4.302,1200 2.963,1201 3.039,1202 3.128,1203 2.918,1204 2.869,1205 4.099,1206 2.85,1207 2.929,1208 2.969,1209 2.791,1210 2.739,1211 3.997,1212 2.748,1213 0.149,1214 0.114,1215 0.217,1216 0.134,1217 0.103,1218 4.624,1219 0.147,1220 3.546,1221 0.053,1222 6.731,1223 0.355,1224 4.141,1225 0.098,1226 3.193,1227 4.553,1228 1.656,1229 11.011,1230 3.028,1231 1.96,1232 1.935,1233 2.034,1234 2.067,1235 1.239,1236 2.059,1237 1.833,1238 1.808,1239 1.961,1240 1.958,1241 1.105,1242 1.96,1243 1.613,1244 1.575,1245 1.782,1246 1.835,1247 0.995,1248 1.818,1249 1.534,1250 1.462,1251 1.715,1252 1.755,1253 0.861,1254 1.749,1255 1.378,1256 1.372,1257 1.438,1258 1.468,1259 0.681,1260 1.494,1261 1.158,1262 1.111,1263 1.397,1264 1.42,1265 0.619,1266 1.419,1267 1.078,1268 0.993,1269 1.301,1270 1.295,1271 0.329,1272 1.346,1273 0.886,1274 0.831,1275 1.181,1276 1.075,1277 0.234,1278 1.107,1279 4.143,1281 5.442,1282 2.398,1283 6.942,1284 4.595,1285 8.538,1286 6.605,1287 10.188,1291 12.121,1295 1.525,1296 5.088,1297 5.422,1305 31.3,1306 83.916,1307 192.585,1308 235.456,1309 243.066,1310 243.066,1311 243.066,1312 43.999,1313 7.669,1314 76.14,1315 104.38,1316 23,1317 12.551,1318 4.248,1319 3.459,1320 42.559,1321 114,1322 148,1323 0.181,1324 194.196,1325 334.82,1326 465.598,1327 22403,1328 2.1,1329 19.347,1330 0.691,1331 0.568,1332 18.993,1333 15.891,1334 13.742,1335 0.443,1336 0.318,1337 8.902,1338 12.657,1339 8.692,1340 7.118,1341 13.696,1342 9.86,1343 11.912,1344 0.284,1345 0.17,1346 12.115,1347 7.148,1348 10.048,1349 0.179,1350 0.094,1351 10.468,1352 5.262,1353 8.555,1354 0.114,1355 0.051,1356 9.28,1357 3.847,1358 7.004,1359 0.073,1360 0.026,1361 7.287,1362 2.523,1363 0.286,1364 91.307,1365 0.217,1366 26.93,1367 0.489,1368 146,1369 506.399,1370 184.146,1371 476.955,1372 641.55,1373 450,1374 171,1375 434.917,1376 205.921,1377 450.538,1378 664.85,1379 425,1380 5.862}
{0 CHEMBL590357,1 1.622,2 19.614,3 3.077,4 9.465,5 164.482,6 7.799,7 0.571,8 4.448,9 4.576,10 4.057,11 3.944,12 5.583,13 3.949,14 4.976,15 5.152,16 4.403,17 4.319,18 6.1,19 4.304,20 5.212,21 5.431,22 4.45,23 4.434,24 6.286,25 4.397,26 5.217,27 5.438,28 4.417,29 4.415,30 6.335,31 4.37,32 5.208,33 5.429,34 4.39,35 4.399,36 6.316,37 4.359,38 5.177,39 5.391,40 4.393,41 4.407,42 6.28,43 4.363,44 5.176,45 5.39,46 4.331,47 4.426,48 6.239,49 4.361,50 5.202,51 5.43,52 4.232,53 4.411,54 6.322,55 4.297,56 0.134,57 1.237,58 14.454,59 6.1,60 12.585,61 8.003,62 0.556,63 1.918,64 28.225,65 9.975,66 40.776,67 13.636,68 0.717,69 2.253,70 39.422,71 12.262,72 64.87,73 17.455,74 0.671,75 2.249,76 39.329,77 12.353,78 73.981,79 17.568,80 0.697,81 2.176,82 39.729,83 11.929,84 84.068,85 16.939,86 0.763,87 2.175,88 37.388,89 11.579,90 70.637,91 16.414,92 0.66,93 2.137,94 37.132,95 12.377,96 57.48,97 17.42,98 0.748,99 2.061,100 39.532,101 15.178,102 102.782,103 21.276,104 11,105 67,106 0.246,107 0.592,108 0.742,109 0.818,110 0.834,111 0.845,112 3.809,113 0.886,114 -4.42,115 -4.35,116 -4.1,119 40.8,120 1,121 1,125 6,142 11,143 2,144 2,145 1,146 2,147 1,149 1,158 1,159 1,161 1,166 2,172 10,174 4,175 7,178 3,179 1,180 6,183 10,186 5,187 8,192 6,195 5,198 5,199 15,202 1,204 9,207 2,211 1,212 10,217 5,220 2,223 2,224 14,227 3,228 1,229 3,232 8,236 3,237 8,245 13,249 3,250 5,253 6,254 1,255 1,258 15,263 3,266 2,271 8,275 4588,276 30.455,277 30.455,278 30.455,279 30.455,280 30.455,281 26.975,282 34.666,283 18.208,284 31.164,285 24.178,286 24.178,287 24.178,288 24.178,289 24.178,290 18.774,291 41.876,292 8.626,293 25.249,294 4.626,295 2.343,296 1.353,297 0.852,298 0.747,299 0.668,300 4.525,306 1913,307 4.183,310 127.467,311 801.765,314 222.877,318 3.24,319 43.571,322 0.5,323 0.5,324 0.5,325 0.6,326 0.5,327 0.5,328 0.5,329 0.51,330 96,331 863,332 4.673,333 3.568,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.199,342 3.55,343 6.11,344 3.835,345 2.838,346 3.795,347 1.058,348 8.946,349 2.83,350 4.167,351 3.348,352 6.095,353 3.771,354 2.792,355 3.77,356 0.86,357 8.804,358 2.729,359 3.916,360 2.906,361 6.03,362 3.592,363 2.671,364 3.444,365 0.8,366 8.597,367 2.498,368 3.897,369 2.796,370 5.557,371 3.557,372 2.589,373 3.312,374 0.247,375 7.591,376 2.455,377 3.863,378 2.72,379 5.34,380 3.484,381 2.515,382 3.187,384 6.967,385 2.434,386 3.695,387 2.564,388 5.309,389 3.314,390 2.344,391 3.068,393 6.869,394 2.269,395 3.364,396 2.417,397 5.12,398 2.943,399 1.997,400 2.589,402 5.793,403 1.907,404 3.183,405 2.318,406 4.677,407 2.887,408 1.905,409 2.279,411 5.098,412 1.834,413 2.973,414 1.908,415 4.417,416 2.596,417 1.62,418 2.164,420 4.266,421 1.579,422 2.948,423 1.894,424 4.351,425 2.447,426 1.51,427 2.117,428 3.881,429 1.42,430 2.836,431 1.693,432 4.189,433 2.401,434 1.474,435 1.899,436 3.853,437 1.375,438 2.744,439 1.535,440 3.761,441 2.38,442 1.4,443 1.818,445 3.141,446 1.34,447 2.5,448 1.365,449 3.647,450 2.08,451 1.164,452 1.5,454 2.905,455 1.059,456 2.5,457 1.32,458 3.43,459 2,460 1,461 1.5,463 2.275,464 1,465 20.5,466 0.466,467 0.862,468 0.02,469 60.5,470 1.375,471 30.5,472 0.693,473 30,474 0.682,475 37.239,476 0.846,477 46.7,478 0.614,479 52.02,480 1.182,481 12.104,482 0.275,483 9.464,484 0.215,485 0.057,487 0.307,493 0.771,494 1.384,495 0.736,496 1.119,497 0.582,498 0.949,499 0.872,500 1.157,501 0.872,502 1.014,503 0.602,504 0.957,505 1.084,506 1.054,507 0.951,508 0.918,509 0.931,510 0.908,511 1.053,512 1.089,513 1.022,514 1.046,515 1.157,516 1.024,517 1.287,518 1.104,519 1.047,520 0.959,521 1.478,522 0.953,523 1.085,524 1.002,525 1.081,526 0.969,527 1.02,528 1.003,529 1.003,530 1.003,531 1.125,532 1.058,533 0.891,534 1.092,535 0.511,536 0.96,537 1.005,538 1.226,539 0.667,540 1.221,541 7.5,542 0.236,543 4.444,544 2.319,545 1.911,546 1.733,547 1.049,548 0.477,549 0.39,550 0.379,551 43166,552 115445,553 2.15,554 42.1,556 23,558 1,559 3,560 2,561 3,564 1.815,565 2.063,566 4.156,567 0.763,573 123.288,574 1.622,575 3.905,576 4.895,577 5.396,578 5.501,579 5.58,580 3.601,581 5.096,582 5.428,583 4.427,584 4187.47,585 9.571,586 85758.4,591 474.842,592 1.199,593 5.413,594 0.153,595 0.006,596 0.066,597 0.034,598 0.029,599 0.027,600 0.016,601 0.008,602 0.008,603 0.009,604 0.356,605 0.17,606 0.63,607 0.512,608 263.474,609 -0.003,610 -0.163,611 0.062,612 -0.078,613 -0.021,614 -0.012,615 0.095,616 -0.031,617 0.026,618 -0.024,619 0.075,620 -0.022,621 -0.075,622 -0.012,623 0.017,624 0.046,625 -0.03,626 0.047,627 -0.065,628 -0.044,629 -0.056,630 -0.088,631 -0.056,632 -0.073,633 -0.19,634 -0.081,635 -0.063,636 0.001,637 -0.17,638 -0.003,639 -0.071,640 0.067,641 -0.124,642 -0.014,643 -0.044,644 -0.064,645 -0.091,646 0.045,647 -0.183,648 -0.068,649 -0.059,650 -0.121,651 0.283,652 -0.012,653 -0.046,654 -0.172,655 0.246,656 -0.174,657 2.074,658 5.674,659 0.75,660 72.355,661 1.009,662 1.134,663 3.186,664 10.15,665 0.668,666 3.912,667 4.22,668 4.5,669 4.762,670 5.004,671 5.112,672 5.298,673 5.434,674 5.517,675 5.645,676 11.296,677 0.647,678 592.73,679 3.912,680 5.451,681 6.301,682 7.171,683 8.037,684 8.916,685 9.791,686 10.676,687 11.558,688 12.448,689 13.2,695 1,696 3,697 1,699 5,703 2,704 12,705 5,709 7,710 1,711 28,718 1,726 1,731 76,733 30,734 2,735 49,737 81,738 31,739 21,740 4,741 8,742 1,746 6,747 7,751 1,752 1,758 1,761 23,762 8,766 2,771 2,775 2,781 32,782 12,783 3,784 13,790 10,794 0.833,795 3,805 1,806 1,811 1,812 5,815 1,839 1,840 5,844 1,848 44,854 7,855 3,856 1,859 1,867 1,870 3.9,873 2,874 1,877 21.333,878 13.9,879 9.75,880 4.687,881 5.084,882 1.559,883 1.005,884 9.251,885 14.18,886 4.19,887 4.777,888 5.369,889 5.963,890 6.512,891 6.833,892 7.294,893 7.711,894 8.006,895 8.413,896 0.923,897 69,898 16.265,900 6.925,901 7.746,902 30.917,904 25.124,905 2.246,906 98.833,910 341.362,911 174.391,912 142.493,914 61.29,917 174.391,918 402.652,919 142.493,920 8.825,921 74.174,922 104.239,923 163.041,924 33.062,925 6.604,926 329.591,928 341.362,929 316.884,930 61.29,933 308.377,934 85.603,935 11,937 100.44,938 130.556,939 83.56,941 341.362,942 203.783,943 174.391,946 341.362,947 52.279,948 127.012,949 54.032,950 144.85,951 341.362,952 203.783,953 174.391,955 0.573,956 0.336,957 0.183,958 0.1,959 31,960 13,961 0.111,962 9,963 1,964 1.061,965 5.543,966 441.061,967 0.061,968 33,969 228.215,974 29.486,975 13.805,976 7.154,977 1.343,978 202.006,979 21.454,980 22.468,984 4.661,985 1.757,986 54.032,987 719.536,988 65,993 25.141,997 -0.594,999 76.72,1000 86.178,1001 0.26,1002 0.625,1003 0.783,1004 0.864,1005 0.88,1006 0.893,1007 5.416,1008 1.997,1009 6.263,1010 6.869,1011 4.905,1012 5.466,1013 2.349,1014 7.05,1015 4.824,1016 6.606,1017 1.905,1018 7.802,1019 5.793,1020 4.369,1021 5.19,1022 1.305,1023 7.895,1024 4.259,1025 7.901,1026 1.62,1027 9.44,1028 5.098,1029 6.472,1030 7.654,1031 2.725,1032 11.002,1033 6.31,1034 9.233,1035 1.51,1036 11.14,1037 4.266,1038 6.792,1039 8.252,1040 2.354,1041 12.719,1042 6.596,1043 10.6,1044 1.474,1045 12.881,1046 3.881,1047 8.318,1048 10.161,1049 3.385,1050 15.335,1051 8.074,1052 11.991,1053 1.4,1054 14.652,1055 3.853,1056 9.044,1057 11.192,1058 3.414,1059 17.429,1060 8.758,1061 13.402,1062 1.164,1063 16.443,1064 3.141,1065 10.329,1066 12.866,1067 4.215,1068 19.891,1069 9.996,1070 3.254,1071 1,1072 18.252,1073 2.905,1074 11.261,1075 14.129,1076 4.466,1077 22.158,1078 10.878,1079 2.838,1080 11.391,1081 20.074,1082 2.275,1083 12.446,1084 15.702,1085 5.136,1086 24.577,1087 12.015,1088 2.792,1089 8.946,1090 21.907,1091 4.627,1092 13.482,1093 17.089,1094 5.504,1095 26.927,1096 12.996,1097 2.671,1098 8.804,1099 23.751,1100 3.795,1101 14.633,1102 18.623,1103 6.101,1104 29.339,1105 14.094,1106 2.589,1107 8.597,1108 25.602,1109 3.77,1110 15.724,1111 20.077,1112 6.531,1113 31.729,1114 15.126,1115 2.515,1116 7.591,1117 27.461,1118 3.444,1119 16.867,1120 21.598,1121 7.087,1122 34.145,1123 16.213,1124 2.344,1125 6.967,1126 29.327,1127 3.312,1128 17.989,1129 23.087,1130 7.551,1131 36.554,1132 17.272,1133 39625,1134 65038,1135 33.69,1136 50.796,1137 72.775,1138 74.744,1139 74.019,1140 72.431,1141 72.471,1142 95.297,1143 9.243,1144 203.518,1145 69.562,1146 5.673,1147 5.568,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 16.442,1156 1.485,1157 1.525,1158 1.511,1159 1.478,1160 1.479,1161 1.945,1162 0.189,1163 4.153,1164 1.42,1165 4.113,1166 4.17,1167 4.096,1168 3.948,1169 7.432,1170 3.972,1171 3.959,1172 3.995,1173 3.908,1174 3.859,1175 7.428,1176 3.865,1177 3.882,1178 3.924,1179 3.824,1180 3.775,1181 5.221,1182 3.781,1183 3.866,1184 3.902,1185 3.805,1186 3.761,1187 4.888,1188 3.773,1189 3.736,1190 3.799,1191 3.623,1192 3.499,1193 4.791,1194 3.519,1195 3.547,1196 3.606,1197 3.479,1198 3.33,1199 4.718,1200 3.347,1201 3.46,1202 3.532,1203 3.353,1204 3.259,1205 4.628,1206 3.264,1207 3.379,1208 3.436,1209 3.257,1210 3.15,1211 4.509,1212 3.176,1213 0.095,1214 0.073,1215 0.14,1216 0.086,1217 0.066,1218 4.673,1219 0.094,1220 3.568,1221 0.034,1222 6.84,1223 0.232,1224 4.197,1225 0.063,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.949,1232 1.918,1233 2.031,1234 2.088,1235 1.217,1236 2.068,1237 1.911,1238 1.885,1239 2.014,1240 2.03,1241 1.172,1242 2.026,1243 1.853,1244 1.814,1245 1.982,1246 1.983,1247 1.111,1248 1.984,1249 1.785,1250 1.741,1251 1.931,1252 1.95,1253 1.084,1254 1.95,1255 1.633,1256 1.569,1257 1.86,1258 1.886,1259 1.041,1260 1.875,1261 1.484,1262 1.418,1263 1.714,1264 1.733,1265 0.83,1266 1.718,1267 1.471,1268 1.399,1269 1.643,1270 1.701,1271 0.825,1272 1.695,1273 1.278,1274 1.235,1275 1.513,1276 1.554,1277 0.748,1278 1.517,1279 4.595,1281 5.905,1282 2.398,1283 7.41,1284 4.727,1285 9.001,1286 6.843,1287 10.639,1289 1.993,1295 4.433,1296 8.515,1297 5.513,1300 2.147,1305 49.153,1306 123.288,1307 296.773,1308 372.034,1309 410.088,1310 418.088,1311 424.088,1312 77.575,1313 9.096,1314 152.08,1315 152.08,1316 35,1317 12.979,1318 4.954,1319 4.087,1320 66.768,1321 303,1322 324,1323 0.104,1324 299.793,1325 512.97,1326 723.256,1327 159668,1329 30.305,1330 0.689,1331 0.551,1332 30.305,1333 24.233,1334 21.568,1335 0.44,1336 0.295,1337 14.23,1338 20.574,1339 13.997,1340 11.552,1341 21.568,1342 14.477,1343 18.917,1344 0.282,1345 0.151,1346 18.917,1347 10.108,1348 16.228,1349 0.182,1350 0.08,1351 16.228,1352 7.153,1353 13.612,1354 0.117,1355 0.042,1356 13.612,1357 4.833,1358 10.995,1359 0.074,1360 0.022,1361 10.995,1362 3.237,1363 0.173,1364 136.162,1365 0.172,1366 40.059,1367 0.261,1368 232,1369 711.721,1370 259.623,1371 685.05,1372 945.99,1373 644,1374 272,1375 710.833,1376 300.737,1377 711.665,1378 1042.21,1379 672,1380 8.167}
{0 CHEMBL590386,1 1.722,2 7.818,3 0.353,4 0.125,5 75.793,6 8.287,7 0.64,8 3.754,9 3.869,10 3.414,11 3.197,12 4.925,13 3.241,14 4.277,15 4.446,16 3.768,17 3.577,18 5.425,19 3.606,20 4.446,21 4.642,22 3.771,23 3.664,24 5.557,25 3.65,26 4.42,27 4.655,28 3.708,29 3.611,30 5.483,31 3.592,32 4.36,33 4.562,34 3.703,35 3.615,36 5.484,37 3.598,38 4.417,39 4.633,40 3.641,41 3.614,42 5.48,43 3.584,44 4.342,45 4.561,46 3.447,47 3.451,48 5.455,49 3.388,50 4.141,51 4.407,52 3.025,53 3.132,54 5.147,55 3.042,56 0.122,57 0.609,58 6.314,59 2.609,60 9.864,61 3.246,62 0.387,63 0.937,64 13.07,65 4.218,66 23.049,67 5.347,68 0.507,69 1.034,70 16.923,71 5.382,72 34.364,73 7.346,74 0.43,75 1.017,76 17.177,77 4.952,78 32.043,79 7.288,80 0.413,81 0.972,82 15.115,83 4.775,84 33.95,85 6.846,86 0.438,87 0.99,88 16.252,89 4.798,90 28.762,91 6.75,92 0.474,93 0.819,94 15.927,95 5.103,96 33.95,97 7.219,98 0.362,99 0.585,100 15.132,101 4.351,102 30.08,103 6.397,104 2,105 35,106 0.31,107 0.701,108 0.821,109 0.831,110 0.831,111 0.831,112 3.148,113 0.839,114 -2.61,115 -2.63,116 -2.57,119 38.9,125 4,142 1,143 1,144 1,145 2,147 1,149 2,152 1,160 1,172 1,174 3,175 3,178 1,180 1,186 1,187 3,190 4,192 1,198 5,199 2,211 1,212 2,215 2,217 1,223 2,227 1,229 1,236 2,237 1,240 3,250 1,254 1,262 1,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.611,283 9.15,284 15.887,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 16.024,292 4.385,293 13.36,294 3.448,295 1.278,296 0.611,297 0.556,298 0.556,299 0.556,300 3.85,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 23.05,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 49,331 172,332 4.604,333 3.305,334 6.732,335 4.134,336 3.194,337 4.53,338 0.86,339 11.013,340 3.001,341 4.155,342 2.884,343 6.124,344 3.748,345 2.783,346 3.786,347 0.8,348 9.011,349 2.686,350 3.738,351 2.697,352 5.766,353 3.423,354 2.505,355 3.075,357 7.812,358 2.294,359 3.598,360 2.389,361 5.05,362 3.15,363 2.212,364 2.984,366 6.078,367 2.067,368 3.015,369 2.233,370 4.678,371 2.692,372 1.79,373 2.142,375 4.788,376 1.611,377 2.935,378 1.557,379 4.323,380 2.399,381 1.471,382 2.088,384 4.025,385 1.361,386 2.657,387 1.532,388 3.708,389 2.126,390 1.246,391 1.731,393 2.925,394 1.096,395 2.5,396 1.256,397 3.481,398 2.062,399 1.155,400 1.5,402 2.568,403 1.04,404 2.373,405 1.184,406 3.443,407 1.952,408 1,409 1.358,411 2.34,412 0.946,413 2,414 1,415 3.326,416 1.928,417 1,418 1,420 2.136,421 0.926,422 1.929,423 0.595,424 3.247,425 1.431,426 0.528,427 0.728,428 1.449,429 0.476,430 0.998,431 -0.057,432 2.707,433 0.529,434 -0.381,435 -0.492,436 -0.872,437 -0.342,438 0.909,439 -0.295,440 2.541,441 0.481,442 -0.425,443 -0.523,445 -1.123,446 -0.385,447 0.73,448 -0.36,449 2.182,450 0.324,451 -0.624,452 -0.783,454 -1.682,455 -0.588,456 0.5,457 -0.566,458 2,459 0.009,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.067,466 0.458,467 0.448,468 0.02,469 31.5,470 1.432,471 15,472 0.682,473 16.5,474 0.75,475 14.329,476 0.651,477 23.533,478 0.654,479 20.891,480 0.95,481 6.247,482 0.284,483 4.563,484 0.207,485 0.033,487 0.338,493 1.006,494 1.626,495 0.698,496 1.184,497 0.911,498 0.92,499 1.175,500 1.036,501 0.885,502 0.864,503 0.766,504 0.815,505 0.971,506 1.12,507 0.948,508 0.997,509 0.891,510 0.987,511 0.745,512 0.924,513 0.864,514 0.866,515 0.7,516 0.865,517 0.76,518 1.168,519 0.905,520 1.006,521 0.697,522 0.98,523 0.971,524 0.98,525 1.146,526 1.032,527 0.865,528 1.084,529 0.796,530 1.046,531 1.126,532 1.261,533 0.82,534 1.272,535 0.962,536 0.836,537 1.016,538 1.046,539 1.036,540 1.04,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 14351,553 2.205,554 38.9,556 9,558 3,559 2,564 1.651,565 2.129,566 2.995,567 0.438,569 1,573 62.002,574 1.722,575 3.892,576 4.559,577 4.614,578 4.614,579 4.614,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,588 1,591 186.117,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.67,606 1,607 0.405,608 98.781,609 -0.162,610 -0.425,611 0.048,612 -0.152,613 -0.103,614 -0.028,615 -0.157,616 0.079,617 -0.019,618 0.09,619 -0.013,620 0.068,621 -0.004,622 -0.1,623 -0.021,624 -0.021,625 0.007,626 -0.04,627 0.014,628 0.112,629 0.083,630 0.067,631 0.027,632 0.091,633 0.046,634 -0.114,635 -0.004,636 -0.029,637 0.103,638 -0.025,639 -0.133,640 0.077,641 -0.229,642 -0.097,643 -0.142,644 -0.156,645 0.156,646 -0.096,647 -0.15,648 -0.279,649 0.056,650 -0.287,651 0.008,652 -0.017,653 0.073,654 -0.053,655 0.04,656 0.024,657 1.587,658 3.599,659 0.955,660 14.38,661 1.022,662 1.141,663 1.383,664 1.913,665 0.666,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.657,678 298.34,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 16.7,695 1,697 1,699 4,703 2,704 4,705 4,706 1,709 4,711 16,726 1,728 1,731 36,733 16,735 25,737 39,738 14,739 10,746 4,747 5,761 10,762 4,777 1,778 1,781 14,782 7,783 2,784 8,787 1,790 6,794 0.75,795 2,805 1,806 1,811 1,812 3,815 1,839 1,840 3,848 22,853 1,854 4,856 1,859 1,870 5.6,872 1,874 1,877 10.333,878 6.45,879 4.778,880 2.083,881 3.064,882 1.427,883 0.998,884 3.368,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.088,900 3.487,901 7.773,902 15.334,904 12.614,905 2.273,906 50,910 141.253,911 61.287,912 87.052,914 53.683,917 61.287,918 194.936,919 87.052,921 13.396,922 9.476,923 164.757,924 45.233,925 4.472,926 105.94,928 141.253,929 148.339,930 53.683,933 145.296,934 42.683,935 11,937 56.895,938 20.258,939 67.142,941 141.253,942 140.735,943 61.287,946 141.253,947 25.097,948 39.314,949 16.786,950 120.825,951 141.253,952 140.735,953 61.287,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.051,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,974 13.431,975 5.517,976 2.527,977 1.397,978 123.95,979 6.188,980 17.299,981 3.092,984 2.018,986 59.469,987 343.275,988 33,999 36.8,1000 41.069,1001 0.333,1002 0.753,1003 0.882,1004 0.893,1005 0.893,1006 0.893,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.123,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.588,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.593,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.927,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.373,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.107,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.326,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.246,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.375,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.381,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.476,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.522,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.607,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.674,1133 4548,1134 7946,1135 17.394,1136 23.989,1137 37.966,1138 37.939,1139 38.154,1140 37.763,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 35.009,1146 5.604,1147 5.305,1148 6.534,1149 5.237,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 4.942,1155 5.832,1156 1.519,1157 1.518,1158 1.526,1159 1.511,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.4,1165 4.099,1166 4.153,1167 4.078,1168 3.921,1169 6.471,1170 3.955,1171 3.835,1172 3.872,1173 3.789,1174 3.702,1175 5.181,1176 3.72,1177 3.723,1178 3.783,1179 3.607,1180 3.492,1181 4.797,1182 3.511,1183 3.259,1184 3.325,1185 3.209,1186 3.024,1187 4.626,1188 3.061,1189 3.111,1190 3.206,1191 2.875,1192 2.941,1193 4.464,1194 2.91,1195 2.949,1196 3,1197 2.866,1198 2.713,1199 4.044,1200 2.741,1201 2.837,1202 2.898,1203 2.738,1204 2.551,1205 3.674,1206 2.585,1207 2.644,1208 2.725,1209 2.528,1210 2.415,1211 3.572,1212 2.436,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.134,1225 0.12,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 3.001,1231 1.903,1232 1.867,1233 1.975,1234 2.076,1235 1.215,1236 2.047,1237 1.745,1238 1.702,1239 1.896,1240 1.936,1241 0.983,1242 1.926,1243 1.566,1244 1.517,1245 1.69,1246 1.79,1247 0.825,1248 1.767,1249 1.327,1250 1.242,1251 1.513,1252 1.636,1253 0.786,1254 1.596,1255 1.153,1256 1.064,1257 1.473,1258 1.376,1259 0.356,1260 1.429,1261 0.936,1262 0.905,1263 1.1,1264 1.149,1265 0.228,1266 1.124,1267 0.738,1268 0.659,1269 1.059,1270 1.106,1271 0.149,1272 1.086,1273 0.71,1274 0.634,1275 0.97,1276 1.009,1278 0.994,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1294 9.599,1295 2.872,1297 5.391,1300 2.144,1305 23.665,1306 62.002,1307 140.117,1308 164.117,1309 166.117,1310 166.117,1311 166.117,1312 26.361,1313 7.182,1314 100.05,1315 100.05,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 143.756,1325 233.72,1326 342.525,1327 11480,1329 14.941,1330 0.679,1331 0.533,1332 14.941,1333 11.729,1334 10.81,1335 0.432,1336 0.28,1337 6.828,1338 10.177,1339 6.76,1340 5.523,1341 10.81,1342 6.993,1343 9.68,1344 0.277,1345 0.143,1346 9.68,1347 5.003,1348 8.347,1349 0.174,1350 0.074,1351 8.347,1352 3.559,1353 7.33,1354 0.111,1355 0.038,1356 7.33,1357 2.501,1358 5.998,1359 0.071,1360 0.019,1361 5.998,1362 1.649,1363 0.348,1364 69.235,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 390.444,1370 136.555,1371 371.262,1372 512.84,1373 350,1374 143,1375 382.667,1376 160.918,1377 383.761,1378 566.81,1379 361,1380 7.959}
{0 CHEMBL590577,1 1.634,2 13.471,3 2.104,4 4.428,5 126.807,6 7.789,7 0.579,8 4.206,9 4.337,10 3.818,11 3.673,12 5.333,13 3.686,14 4.739,15 4.924,16 4.175,17 4.044,18 5.847,19 4.041,20 4.939,21 5.156,22 4.209,23 4.16,24 6.005,25 4.135,26 4.947,27 5.173,28 4.19,29 4.16,30 6.03,31 4.119,32 4.945,33 5.166,34 4.164,35 4.137,36 6.045,37 4.109,38 4.914,39 5.125,40 4.171,41 4.138,42 6.028,43 4.11,44 4.911,45 5.119,46 4.041,47 4.16,48 5.953,49 4.094,50 4.95,51 5.194,52 3.879,53 4.15,54 5.889,55 4.007,56 0.12,57 0.982,58 11.416,59 4.563,60 9.576,61 6.169,62 0.486,63 1.501,64 22.834,65 7.367,66 32.254,67 10.44,68 0.628,69 1.729,70 29.779,71 8.508,72 47.025,73 12.523,74 0.497,75 1.737,76 29.685,77 9.166,78 44.331,79 13.631,80 0.569,81 1.682,82 30.22,83 8.328,84 57.402,85 12.412,86 0.627,87 1.676,88 28.49,89 8.126,90 52.74,91 11.858,92 0.616,93 1.644,94 28.052,95 8.707,96 48.26,97 12.484,98 0.431,99 1.564,100 30.978,101 12.21,102 49.157,103 17.525,104 11,105 53,106 0.262,107 0.627,108 0.774,109 0.826,110 0.831,111 0.837,112 3.56,113 0.881,114 -4.11,115 -4.06,116 -3.84,119 39,120 2,125 5,142 6,143 1,144 2,145 1,146 2,147 1,149 1,159 1,161 1,166 2,172 4,174 4,175 6,178 2,179 1,180 4,183 6,186 5,187 5,192 2,195 2,198 5,199 12,202 1,204 6,207 1,211 1,212 8,217 2,223 2,224 12,227 3,229 2,232 5,236 3,237 5,245 6,249 2,250 4,253 4,258 6,263 5,266 2,271 2,275 2146,276 23.403,277 23.403,278 23.403,279 23.403,280 23.403,281 20.714,282 29.346,283 13.857,284 24.081,285 18.751,286 18.751,287 18.751,288 18.751,289 18.751,290 14.568,291 39.08,292 6.558,293 19.789,294 4.249,295 1.977,296 1.06,297 0.737,298 0.704,299 0.67,300 4.27,304 1,305 1,306 1011,307 3.317,310 86.092,311 430.873,314 150.705,318 2.121,319 30.879,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 74.5,331 458,332 4.673,333 3.563,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.174,342 3.348,343 6.11,344 3.779,345 2.805,346 3.793,347 0.86,348 8.946,349 2.733,350 4.071,351 2.906,352 6.095,353 3.671,354 2.704,355 3.661,356 0.8,357 8.804,358 2.61,359 3.905,360 2.799,361 5.621,362 3.591,363 2.67,364 3.307,365 0.247,366 7.797,367 2.457,368 3.797,369 2.733,370 5.4,371 3.434,372 2.471,373 3.149,375 7.144,376 2.374,377 3.493,378 2.428,379 5.12,380 3.087,381 2.12,382 2.767,384 5.8,385 2.043,386 3.191,387 2.32,388 4.904,389 2.916,390 1.984,391 2.387,393 5.723,394 1.844,395 3.163,396 2.136,397 4.551,398 2.735,399 1.752,400 2.278,402 4.744,403 1.712,404 2.952,405 1.907,406 4.394,407 2.438,408 1.508,409 2.143,411 4.21,412 1.407,413 2.745,414 1.535,415 4.349,416 2.392,417 1.465,418 1.819,420 3.862,421 1.341,422 2.658,423 1.32,424 3.761,425 2.142,426 1.184,427 1.728,428 2.905,429 1.132,430 2.5,431 1.256,432 3.479,433 2.079,434 1.161,435 1.5,436 2.587,437 1.058,438 2.473,439 1.24,440 3.43,441 2,442 1,443 1.466,445 2.275,446 1,447 2.113,448 1,449 3.414,450 1.952,451 1,452 1.043,454 2.136,455 0.946,456 2,457 0.945,458 3.247,459 1.784,460 0.843,461 1,463 2.053,464 0.789,465 15.767,466 0.464,467 0.742,468 0.022,469 46.75,470 1.375,471 23,472 0.676,473 23.75,474 0.699,475 27.707,476 0.815,477 36.433,478 0.618,479 36.925,480 1.086,481 9.263,482 0.272,483 7.339,484 0.216,485 0.085,487 0.336,493 0.797,494 1.471,495 0.729,496 1.182,497 0.625,498 0.978,499 0.95,500 1.153,501 0.815,502 0.953,503 0.619,504 0.88,505 1.167,506 1.043,507 0.984,508 0.876,509 1.014,510 0.889,511 0.842,512 1.111,513 0.928,514 1.061,515 0.867,516 1.008,517 1.298,518 1.107,519 1.042,520 0.933,521 1.56,522 0.926,523 1.207,524 1.02,525 1.099,526 0.955,527 1.213,528 0.986,529 1.169,530 0.977,531 1.309,532 1.077,533 1.136,534 1.184,535 0.37,536 1.008,537 0.988,538 1.338,539 0.444,540 1.301,541 6.5,542 0.174,543 3.333,544 2.132,545 1.68,546 1.49,547 0.765,548 0.313,549 0.345,550 0.247,551 18351,552 49572,553 2.145,554 42.4,556 16,558 1,559 2,560 3,561 3,564 1.758,565 2.04,566 3.66,567 0.264,569 1,573 96.408,574 1.634,575 3.905,576 4.823,577 5.145,578 5.179,579 5.213,580 3.065,581 4.735,582 5.056,583 3.895,584 2185.37,585 8.858,586 34202.7,591 347.076,592 1.286,593 5.033,594 0.171,595 0.007,596 0.063,597 0.039,598 0.032,599 0.029,600 0.015,601 0.007,602 0.01,603 0.009,604 0.382,605 0.33,606 0.75,607 0.608,608 183.74,609 0.012,610 -0.227,611 0.074,612 -0.125,613 -0.02,614 -0.034,615 0.089,616 -0.036,617 0.099,618 0.033,619 0.116,620 0.054,621 -0.114,622 0.02,623 -0.026,624 0.076,625 -0.076,626 0.044,627 0.022,628 -0.055,629 0.016,630 -0.09,631 0.046,632 -0.045,633 -0.214,634 -0.063,635 -0.073,636 0.017,637 -0.187,638 0.009,639 -0.128,640 0.068,641 -0.151,642 -0.011,643 -0.061,644 -0.068,645 -0.197,646 0.108,647 -0.385,648 -0.096,649 -0.214,650 -0.24,651 0.246,652 -0.079,653 -0.044,654 -0.244,655 0.163,656 -0.213,657 1.997,658 5.355,659 0.794,660 40.118,661 1.011,662 1.139,663 2.885,664 8.323,665 0.662,666 3.664,667 3.989,668 4.277,669 4.575,670 4.82,671 4.949,672 5.124,673 5.283,674 5.366,675 5.485,676 8.047,677 0.641,678 459.57,679 3.664,680 5.209,681 6.066,682 6.95,683 7.824,684 8.717,685 9.601,686 10.499,687 11.389,688 12.291,689 15.3,695 1,696 2,697 1,699 5,703 2,704 7,705 5,709 6,710 1,711 22,726 1,731 59,733 23,734 1,735 38,737 63,738 23,739 15,740 2,741 4,746 5,747 6,751 1,752 2,761 16,762 7,766 1,771 1,775 1,778 1,781 25,782 10,783 2,784 11,790 9,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 34,854 5,855 2,856 1,859 1,867 1,870 3.4,873 1,874 1,877 16.667,878 11.317,879 7.472,880 3.659,881 4.062,882 1.489,883 1.003,884 6.454,885 12.371,886 3.932,887 4.546,888 5.153,889 5.787,890 6.342,891 6.712,892 7.177,893 7.635,894 7.941,895 8.344,896 0.889,897 54,898 12.533,900 5.311,901 7.706,902 23.896,904 19.378,905 2.206,906 75,910 270.735,911 123.304,912 124.482,914 36.145,917 123.304,918 306.88,919 124.482,920 17.65,921 51.523,922 56.857,923 133.191,924 29.876,925 6.604,926 258.964,928 270.735,929 247.787,930 36.145,933 237.75,934 60.458,935 11,937 86.614,938 75.285,939 83.56,941 270.735,942 160.627,943 123.304,946 270.735,947 39.749,948 88.456,949 36.022,950 119.705,951 270.735,952 160.627,953 123.304,955 0.577,956 0.338,957 0.19,958 0.105,959 26,960 11,961 0.079,962 5,963 1,964 1.074,965 4.547,966 323.198,967 0.074,968 27,969 164.974,974 22.356,975 9.816,976 4.925,977 1.386,978 158.851,979 12.617,980 22.286,984 4.333,985 1.769,986 36.022,987 554.667,988 50,993 12.355,997 -0.33,999 59.64,1000 67.225,1001 0.278,1002 0.664,1003 0.82,1004 0.875,1005 0.88,1006 0.886,1007 5.168,1008 1.752,1009 6.043,1010 5.723,1011 4.673,1012 5.234,1013 2.109,1014 6.851,1015 4.571,1016 6.37,1017 1.508,1018 7.593,1019 4.744,1020 4.205,1021 5.037,1022 1.305,1023 7.727,1024 4.065,1025 7.677,1026 1.465,1027 9.243,1028 4.21,1029 6.26,1030 7.456,1031 2.545,1032 10.847,1033 6.058,1034 9.02,1035 1.184,1036 10.952,1037 3.862,1038 6.621,1039 8.115,1040 2.354,1041 12.586,1042 6.375,1043 10.397,1044 1.161,1045 12.701,1046 2.905,1047 8.127,1048 10.002,1049 3.285,1050 15.222,1051 7.825,1052 11.798,1053 1,1054 14.479,1055 2.587,1056 8.885,1057 11.084,1058 3.414,1059 17.337,1060 8.531,1061 13.218,1062 1,1063 16.279,1064 2.275,1065 10.164,1066 12.748,1067 4.168,1068 19.815,1069 9.756,1070 3.254,1071 0.843,1072 18.096,1073 2.136,1074 11.12,1075 14.048,1076 4.466,1077 22.099,1078 10.655,1079 2.805,1080 11.391,1081 19.927,1082 2.053,1083 12.308,1084 15.62,1085 5.115,1086 24.53,1087 11.788,1088 2.704,1089 8.946,1090 21.77,1091 4.627,1092 13.363,1093 17.032,1094 5.504,1095 26.89,1096 12.782,1097 2.67,1098 8.804,1099 23.622,1100 3.793,1101 14.52,1102 18.568,1103 6.092,1104 29.311,1105 13.882,1106 2.471,1107 7.797,1108 25.483,1109 3.661,1110 15.626,1111 20.037,1112 6.531,1113 31.707,1114 14.926,1115 2.12,1116 7.144,1117 27.352,1118 3.307,1119 16.777,1120 21.562,1121 7.084,1122 34.128,1123 16.017,1124 1.984,1125 5.8,1126 29.226,1127 3.149,1128 17.91,1129 23.06,1130 7.551,1131 36.541,1132 17.087,1133 17066,1134 28236,1135 25.948,1136 39.051,1137 56.755,1138 57.833,1139 58.131,1140 56.591,1141 56.621,1142 74.246,1143 7.126,1144 162.182,1145 53.77,1146 5.673,1147 5.563,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 13.944,1156 1.494,1157 1.522,1158 1.53,1159 1.489,1160 1.49,1161 1.954,1162 0.188,1163 4.268,1164 1.415,1165 4.11,1166 4.167,1167 4.094,1168 3.941,1169 7.431,1170 3.967,1171 3.919,1172 3.964,1173 3.87,1174 3.782,1175 5.221,1176 3.799,1177 3.86,1178 3.898,1179 3.804,1180 3.757,1181 4.891,1182 3.767,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.785,1188 3.519,1189 3.476,1190 3.542,1191 3.409,1192 3.259,1193 4.628,1194 3.268,1195 3.392,1196 3.454,1197 3.271,1198 3.14,1199 4.511,1200 3.173,1201 3.163,1202 3.246,1203 3.02,1204 3.002,1205 4.099,1206 2.99,1207 3.111,1208 3.206,1209 2.942,1210 2.941,1211 4.07,1212 2.91,1213 0.123,1214 0.094,1215 0.18,1216 0.11,1217 0.086,1218 4.673,1219 0.122,1220 3.563,1221 0.044,1222 6.84,1223 0.3,1224 4.197,1225 0.081,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.947,1232 1.916,1233 2.028,1234 2.088,1235 1.217,1236 2.067,1237 1.851,1238 1.812,1239 1.966,1240 2.006,1241 1.11,1242 1.994,1243 1.784,1244 1.74,1245 1.93,1246 1.948,1247 1.042,1248 1.948,1249 1.633,1250 1.569,1251 1.86,1252 1.885,1253 1.02,1254 1.875,1255 1.475,1256 1.402,1257 1.644,1258 1.721,1259 0.825,1260 1.702,1261 1.29,1262 1.233,1263 1.558,1264 1.58,1265 0.748,1266 1.552,1267 1.156,1268 1.09,1269 1.513,1270 1.387,1271 0.615,1272 1.429,1273 1.153,1274 1.064,1275 1.34,1276 1.376,1277 0.32,1278 1.41,1279 4.344,1281 5.666,1282 2.398,1283 7.185,1284 4.727,1285 8.791,1286 6.843,1287 10.447,1289 3.873,1295 3.415,1296 5.642,1297 5.494,1300 2.159,1305 37.837,1306 96.408,1307 230.405,1308 284.547,1309 303.566,1310 305.566,1311 307.566,1312 49.931,1313 8.309,1314 122.98,1315 122.98,1316 29,1317 12.815,1318 4.585,1319 3.7,1320 50.179,1321 164,1322 166,1323 0.147,1324 231.367,1325 388.6,1326 556.296,1327 52341,1329 23.493,1330 0.691,1331 0.56,1332 23.493,1333 19.024,1334 16.602,1335 0.437,1336 0.294,1337 10.942,1338 15.74,1339 10.709,1340 8.857,1341 16.602,1342 11.155,1343 14.862,1344 0.28,1345 0.149,1346 14.862,1347 7.89,1348 12.58,1349 0.177,1350 0.078,1351 12.58,1352 5.51,1353 10.953,1354 0.114,1355 0.04,1356 10.953,1357 3.799,1358 8.794,1359 0.071,1360 0.02,1361 8.794,1362 2.503,1363 0.235,1364 105.333,1365 0.196,1366 31.739,1367 0.391,1368 182,1369 561.653,1370 205.687,1371 539.516,1372 750.92,1373 508,1374 215,1375 573.507,1376 239.912,1377 573.084,1378 840.72,1379 540,1380 8.097}
{0 CHEMBL590578,1 1.583,2 15.054,3 3.512,4 12.333,5 143.219,6 7.377,7 0.537,8 4.329,9 4.466,10 3.896,11 3.791,12 5.419,13 3.789,14 4.875,15 5.074,16 4.259,17 4.173,18 5.924,19 4.156,20 5.086,21 5.301,22 4.317,23 4.327,24 6.119,25 4.282,26 5.174,27 5.423,28 4.299,29 4.349,30 6.192,31 4.28,32 5.134,33 5.374,34 4.249,35 4.301,36 6.179,37 4.242,38 5.038,39 5.259,40 4.242,41 4.251,42 6.077,43 4.21,44 5.019,45 5.232,46 4.178,47 4.283,48 6.043,49 4.219,50 5.108,51 5.338,52 4.058,53 4.331,54 6.08,55 4.193,56 0.091,57 1.099,58 14.405,59 5.421,60 11.483,61 7.715,62 0.499,63 1.692,64 28.113,65 8.611,66 35.811,67 12.829,68 0.558,69 2.006,70 35.406,71 10.561,72 46.849,73 16.018,74 0.51,75 2.086,76 39.873,77 11.899,78 56.624,79 18.57,80 0.573,81 1.968,82 38.521,83 10.794,84 67.816,85 16.803,86 0.538,87 1.876,88 34.065,89 9.458,90 49.561,91 14.637,92 0.654,93 1.865,94 32.759,95 9.567,96 45.285,97 14.595,98 0.377,99 1.86,100 36.182,101 14.335,102 55.866,103 20.49,104 30,105 58,106 0.248,107 0.582,108 0.716,109 0.753,110 0.78,111 0.784,112 3.642,113 0.9,114 -4.74,115 -4.65,116 -4.37,119 38.2,120 2,124 2,125 4,127 1,142 8,143 1,144 3,146 1,147 1,149 1,159 1,161 1,166 2,172 6,174 4,175 6,178 2,179 1,180 4,183 7,186 5,187 8,192 4,195 4,198 5,199 14,204 5,211 1,212 10,215 1,217 4,223 1,224 13,227 2,229 1,232 6,236 4,237 5,240 1,245 12,249 2,250 2,253 4,258 10,263 6,266 2,271 2,275 2757,276 24.947,277 24.947,278 24.947,279 24.947,280 24.947,281 22.359,282 35.019,283 14.618,284 25.638,285 20.248,286 20.248,287 20.248,288 20.248,289 20.248,290 16.148,291 47.977,292 6.95,293 21.349,294 4.505,295 2.368,296 1.508,297 1.272,298 1.103,299 1.074,300 4.347,306 1218,307 4,310 97.466,311 483.665,314 170.88,318 2.323,319 29.857,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.66,330 80.5,331 557,332 4.689,333 3.562,334 6.887,335 4.221,336 3.278,337 4.637,338 1.656,339 11.538,340 3.09,341 4.183,342 3.369,343 6.257,344 3.797,345 2.827,346 3.796,347 0.86,348 9.27,349 2.745,350 4.12,351 2.986,352 6.107,353 3.752,354 2.792,355 3.69,356 0.8,357 8.928,358 2.683,359 3.963,360 2.982,361 5.932,362 3.673,363 2.739,364 3.353,365 0.8,366 8.25,367 2.55,368 3.838,369 2.816,370 5.552,371 3.527,372 2.572,373 3.167,374 0.247,375 7.556,376 2.447,377 3.639,378 2.498,379 5.408,380 3.29,381 2.334,382 2.951,384 6.836,385 2.227,386 3.338,387 2.435,388 5.301,389 3.11,390 2.164,391 2.538,393 6.476,394 2.041,395 3.3,396 2.349,397 4.671,398 2.882,399 1.889,400 2.409,402 5.062,403 1.861,404 2.959,405 2.093,406 4.609,407 2.6,408 1.689,409 2.153,411 4.439,412 1.534,413 2.873,414 1.535,415 4.401,416 2.433,417 1.479,418 1.943,420 4.212,421 1.406,422 2.507,423 1.478,424 3.778,425 2.179,426 1.233,427 1.509,428 2.933,429 1.163,430 2.5,431 1.472,432 3.76,433 2.1,434 1.213,435 1.5,436 2.898,437 1.068,438 2.5,439 1.256,440 3.671,441 2.027,442 1.041,443 1.5,445 2.575,446 1.024,447 2.451,448 1.057,449 3.414,450 2,451 1,452 1.439,454 2.275,455 1,456 2.312,457 1,458 3.414,459 2,460 1,461 1.293,463 2.275,464 1,465 17.267,466 0.467,467 0.959,468 0.026,469 49,470 1.324,471 23.5,472 0.635,473 25.5,474 0.689,475 33.006,476 0.892,477 40.333,478 0.593,479 40.817,480 1.103,481 9.69,482 0.262,483 8.195,484 0.221,485 0.135,487 0.359,493 0.806,494 1.523,495 0.781,496 1.225,497 0.656,498 1.031,499 1.001,500 1.085,501 0.822,502 0.879,503 0.603,504 0.831,505 1.119,506 1.147,507 1.011,508 0.998,509 0.95,510 0.987,511 0.833,512 1.081,513 0.9,514 1.001,515 0.849,516 0.956,517 1.203,518 1.06,519 1.02,520 0.943,521 1.505,522 0.941,523 1.272,524 1.123,525 1.073,526 0.974,527 1.306,528 0.978,529 1.13,530 0.928,531 1.263,532 0.998,533 0.874,534 1.105,535 0.477,536 1.129,537 1.059,538 1.423,539 0.664,540 1.362,541 7.5,542 0.203,543 4.222,544 2.285,545 1.965,546 1.642,547 1.05,548 0.493,549 0.378,550 0.368,551 23124,552 57503,553 2.1,554 45.6,556 23,559 2,561 6,564 1.778,565 1.965,566 3.784,567 0.216,573 107.627,574 1.583,575 3.72,576 4.58,577 4.815,578 4.984,579 5.014,580 3.25,581 4.777,582 5.177,583 4.045,584 2694.09,585 9.096,586 45351.3,591 413.947,592 1.414,593 5.14,594 0.183,595 0.007,596 0.073,597 0.038,598 0.034,599 0.03,600 0.019,601 0.01,602 0.009,603 0.011,604 0.413,605 0.17,606 0.63,607 0.759,608 206.26,609 0.037,610 -0.25,611 0.079,612 -0.135,613 -0.031,614 -0.041,615 0.089,616 0.051,617 0.13,618 0.113,619 0.137,620 0.12,621 -0.074,622 -0.049,623 -0.052,624 -0.015,625 -0.036,626 -0.032,627 0.027,628 -0.047,629 0.068,630 -0.026,631 0.056,632 0.022,633 -0.134,634 -0.025,635 -0.035,636 0.017,637 -0.142,638 0.014,639 -0.159,640 -0.025,641 -0.101,642 -0.017,643 -0.125,644 -0.041,645 -0.123,646 0.223,647 -0.319,648 -0.03,649 -0.118,650 -0.168,651 0.191,652 -0.14,653 -0.139,654 -0.325,655 0.139,656 -0.297,657 1.982,658 5.504,659 0.73,660 47.014,661 1.004,662 1.139,663 3.508,664 12.306,665 0.652,666 3.738,667 4.078,668 4.357,669 4.635,670 4.89,671 5.043,672 5.231,673 5.371,674 5.455,675 5.591,676 8.801,677 0.624,678 501.66,679 3.738,680 5.293,681 6.151,682 7.036,683 7.913,684 8.806,685 9.693,686 10.592,687 11.485,688 12.388,689 13.2,695 2,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 2,731 68,733 23,734 2,735 41,737 72,738 26,739 16,740 4,741 8,746 5,747 6,751 1,752 2,758 1,761 17,762 9,766 1,771 1,775 1,781 31,782 10,783 2,784 11,790 9,794 0.8,795 2,806 1,811 1,812 4,815 1,839 1,840 4,844 4,848 37,854 4,855 2,856 1,858 1,859 2,867 1,870 2.9,873 1,874 1,877 18.833,878 13.483,879 8.028,880 4.07,881 4.109,882 1.483,883 0.985,884 7.443,885 12.624,886 3.989,887 4.598,888 5.203,889 5.827,890 6.396,891 6.784,892 7.257,893 7.69,894 7.999,895 8.415,896 0.9,897 60,898 13.656,900 5.751,901 7.658,902 26.197,904 21.253,905 2.158,906 79.833,910 341.362,911 147.896,912 110.821,914 36.145,917 147.896,918 377.507,919 110.821,920 34.443,921 49.418,922 75.81,923 104.635,924 23.953,925 6.604,926 341.362,928 341.362,929 258.717,930 36.145,933 273.063,934 95.772,935 11,937 72.704,938 116.911,939 66.775,941 341.362,942 146.966,943 147.896,946 341.362,947 37.643,948 118.278,949 36.022,950 102.919,951 341.362,952 146.966,953 147.896,955 0.586,956 0.338,957 0.181,958 0.1,959 28,960 13,961 0.083,962 6,963 1,964 1.074,965 4.743,966 360.529,967 0.074,968 27,969 176.75,974 25.243,975 10.91,976 5.629,977 1.385,978 145.189,979 15.113,980 18.409,984 4.61,985 1.815,986 36.022,987 636.224,988 53,993 12.504,997 -0.315,999 68.29,1000 77.471,1001 0.26,1002 0.611,1003 0.752,1004 0.791,1005 0.819,1006 0.824,1007 5.239,1008 1.889,1009 6.142,1010 6.476,1011 4.762,1012 5.286,1013 2.219,1014 6.961,1015 4.662,1016 6.445,1017 1.689,1018 7.707,1019 5.062,1020 4.369,1021 5.112,1022 1.404,1023 7.879,1024 4.22,1025 7.752,1026 1.479,1027 9.37,1028 4.439,1029 6.365,1030 7.495,1031 2.581,1032 10.982,1033 6.165,1034 9.097,1035 1.233,1036 11.092,1037 4.212,1038 6.781,1039 8.17,1040 2.382,1041 12.742,1042 6.525,1043 10.475,1044 1.213,1045 12.853,1046 2.933,1047 8.252,1048 10.038,1049 3.295,1050 15.371,1051 7.95,1052 11.877,1053 1.041,1054 14.64,1055 2.898,1056 9.041,1057 11.126,1058 3.421,1059 17.494,1060 8.678,1061 13.299,1062 1,1063 16.447,1064 2.575,1065 10.304,1066 12.782,1067 4.17,1068 19.972,1069 9.893,1070 3.278,1071 1,1072 18.27,1073 2.275,1074 11.275,1075 14.085,1076 4.467,1077 22.261,1078 10.802,1079 2.827,1080 11.538,1081 20.105,1082 2.275,1083 12.455,1084 15.652,1085 5.115,1086 24.696,1087 11.932,1088 2.792,1089 9.27,1090 21.951,1091 4.637,1092 13.518,1093 17.066,1094 5.504,1095 27.063,1096 12.931,1097 2.739,1098 8.928,1099 23.806,1100 3.796,1101 14.672,1102 18.601,1103 6.092,1104 29.491,1105 14.031,1106 2.572,1107 8.25,1108 25.669,1109 3.69,1110 15.782,1111 20.071,1112 6.531,1113 31.895,1114 15.078,1115 2.334,1116 7.556,1117 27.539,1118 3.353,1119 16.932,1120 21.596,1121 7.084,1122 34.325,1123 16.171,1124 2.164,1125 6.836,1126 29.415,1127 3.167,1128 18.068,1129 23.096,1130 7.551,1131 36.748,1132 17.244,1133 21735,1134 34502,1135 27.452,1136 44.336,1137 62.389,1138 63.258,1139 63.687,1140 61.956,1141 61.966,1142 79.614,1143 8.726,1144 179.299,1145 58.927,1146 5.689,1147 5.562,1148 6.689,1149 5.324,1150 5.278,1151 7.637,1152 2.912,1153 19.027,1154 5.09,1155 19.231,1156 1.522,1157 1.543,1158 1.553,1159 1.511,1160 1.511,1161 1.942,1162 0.213,1163 4.373,1164 1.437,1165 4.117,1166 4.173,1167 4.1,1168 3.948,1169 7.431,1170 3.973,1171 3.944,1172 3.985,1173 3.889,1174 3.841,1175 5.221,1176 3.846,1177 3.874,1178 3.911,1179 3.818,1180 3.769,1181 4.797,1182 3.782,1183 3.744,1184 3.807,1185 3.631,1186 3.517,1187 4.756,1188 3.533,1189 3.545,1190 3.614,1191 3.453,1192 3.365,1193 4.628,1194 3.364,1195 3.496,1196 3.574,1197 3.367,1198 3.249,1199 4.512,1200 3.273,1201 3.343,1202 3.405,1203 3.215,1204 3.093,1205 4.228,1206 3.122,1207 3.111,1208 3.206,1209 3.043,1210 2.941,1211 4.161,1212 2.91,1213 0.114,1214 0.087,1215 0.168,1216 0.103,1217 0.08,1218 4.689,1219 0.113,1220 3.562,1221 0.04,1222 6.887,1223 0.281,1224 4.221,1225 0.075,1226 3.278,1227 4.637,1228 1.656,1229 11.538,1230 3.09,1231 1.949,1232 1.918,1233 2.033,1234 2.091,1235 1.22,1236 2.07,1237 1.902,1238 1.869,1239 2.011,1240 2.026,1241 1.142,1242 2.023,1243 1.792,1244 1.747,1245 1.941,1246 1.955,1247 1.114,1248 1.954,1249 1.678,1250 1.61,1251 1.914,1252 1.92,1253 1.094,1254 1.917,1255 1.524,1256 1.467,1257 1.723,1258 1.753,1259 0.825,1260 1.736,1261 1.434,1262 1.348,1263 1.653,1264 1.697,1265 0.784,1266 1.7,1267 1.225,1268 1.174,1269 1.513,1270 1.515,1271 0.762,1272 1.482,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.469,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.276,1284 4.727,1285 8.884,1286 6.862,1287 10.541,1289 8.043,1295 2.745,1296 5.727,1297 5.521,1299 0.106,1300 4.172,1305 42.417,1306 107.627,1307 252.954,1308 311.418,1309 327.418,1310 338.928,1311 340.928,1312 58.991,1313 8.515,1314 113.33,1315 113.33,1316 29,1317 12.91,1318 4.585,1319 3.7,1320 57.051,1321 195,1322 216,1323 0.14,1324 260.144,1325 440.5,1326 626.512,1327 67871,1329 25.941,1330 0.701,1331 0.58,1332 25.941,1333 21.472,1334 17.885,1335 0.436,1336 0.3,1337 12.07,1338 16.99,1339 11.694,1340 9.754,1341 17.885,1342 12.303,1343 16.489,1344 0.284,1345 0.162,1346 16.489,1347 9.368,1348 13.608,1349 0.177,1350 0.08,1351 13.608,1352 6.148,1353 11.519,1354 0.113,1355 0.04,1356 11.519,1357 4.128,1358 9.308,1359 0.071,1360 0.021,1361 9.308,1362 2.74,1363 0.226,1364 113.285,1365 0.191,1366 34.13,1367 0.368,1368 198,1369 577.653,1370 222.048,1371 557.388,1372 776.62,1373 524,1374 234,1375 594.507,1376 259.911,1377 598.477,1378 876.29,1379 561,1380 7.629}
{0 CHEMBL590587,1 1.621,2 18.049,3 2.319,4 5.378,5 155.868,6 7.45,7 0.489,8 4.425,9 4.562,10 3.991,11 3.871,12 5.53,13 3.875,14 4.97,15 5.17,16 4.336,17 4.248,18 6.05,19 4.233,20 5.183,21 5.402,22 4.391,23 4.392,24 6.244,25 4.347,26 5.255,27 5.501,28 4.375,29 4.387,30 6.321,31 4.331,32 5.198,33 5.431,34 4.347,35 4.351,36 6.295,37 4.311,38 5.141,39 5.354,40 4.35,41 4.364,42 6.23,43 4.32,44 5.166,45 5.379,46 4.262,47 4.385,48 6.222,49 4.314,50 5.183,51 5.42,52 4.138,53 4.375,54 6.251,55 4.24,56 0.128,57 1.204,58 15.693,59 5.843,60 11.443,61 8.349,62 0.633,63 1.826,64 30.904,65 9.222,66 40.954,67 13.847,68 0.684,69 2.125,70 39.337,71 11.777,72 58.435,73 17.755,74 0.681,75 2.161,76 43.782,77 12.459,78 76.157,79 19.43,80 0.773,81 2.053,82 41.312,83 10.936,84 83.742,85 17.108,86 0.674,87 2.048,88 37.294,89 10.99,90 60.516,91 16.605,92 0.734,93 2.038,94 38.501,95 11.719,96 67.597,97 17.436,98 0.686,99 1.957,100 39.665,101 14.92,102 93.119,103 21.644,104 34,105 62,106 0.249,107 0.582,108 0.723,109 0.787,110 0.803,111 0.815,112 3.741,113 0.904,114 -4.04,115 -3.99,116 -3.78,119 37.3,120 1,124 2,125 7,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 8,174 4,175 4,178 3,179 1,180 5,183 8,186 5,187 7,190 1,192 6,195 4,198 5,199 14,204 8,211 2,212 11,217 4,223 1,224 14,227 3,228 1,229 2,232 5,236 3,237 7,245 10,249 3,250 2,253 6,254 1,258 10,263 3,266 3,271 4,275 3658,276 27.886,277 27.886,278 27.886,279 27.886,280 27.886,281 25.157,282 35.751,283 16.556,284 28.645,285 22.178,286 22.178,287 22.178,288 22.178,289 22.178,290 17.818,291 45.652,292 7.828,293 23.315,294 4.607,295 2.432,296 1.513,297 1.097,298 0.99,299 0.91,300 4.445,306 1607,307 4.472,310 116.322,311 565.76,314 203.452,318 2.926,319 40.404,322 0.5,323 0.67,324 0.5,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 90,331 740,332 4.673,333 3.568,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.199,342 3.55,343 6.11,344 3.835,345 2.838,346 3.795,347 1.058,348 8.946,349 2.829,350 4.167,351 3.348,352 6.095,353 3.771,354 2.791,355 3.77,356 0.86,357 8.804,358 2.729,359 3.915,360 2.906,361 6.03,362 3.592,363 2.671,364 3.312,365 0.8,366 8.596,367 2.495,368 3.865,369 2.796,370 5.557,371 3.555,372 2.587,373 3.187,374 0.8,375 7.59,376 2.455,377 3.696,378 2.584,379 5.31,380 3.319,381 2.351,382 3.069,383 0.247,384 6.872,385 2.272,386 3.367,387 2.559,388 5.12,389 3.132,390 2.215,391 2.59,393 5.793,394 2.03,395 3.221,396 2.417,397 4.685,398 2.94,399 1.996,400 2.279,402 5.203,403 1.9,404 3.183,405 2.318,406 4.653,407 2.884,408 1.9,409 2.232,411 5.079,412 1.833,413 2.962,414 1.908,415 4.416,416 2.477,417 1.522,418 2.158,420 4.262,421 1.45,422 2.84,423 1.892,424 4.351,425 2.424,426 1.498,427 1.887,428 3.864,429 1.395,430 2.744,431 1.535,432 4.164,433 2.39,434 1.446,435 1.817,436 3.779,437 1.341,438 2.5,439 1.498,440 3.761,441 2.08,442 1.164,443 1.5,445 2.905,446 1.059,447 2.5,448 1.32,449 3.43,450 2,451 1,452 1.5,454 2.275,455 1,456 2.473,457 1.256,458 3.414,459 2,460 1,461 1.466,463 2.275,464 1,465 19,466 0.463,467 0.938,468 0.023,469 52.75,470 1.287,471 24.5,472 0.598,473 28.25,474 0.689,475 36.474,476 0.89,477 45.2,478 0.603,479 46.607,480 1.137,481 10.691,482 0.261,483 9.216,484 0.225,485 0.114,487 0.326,493 0.792,494 1.554,495 0.78,496 1.24,497 0.591,498 1.036,499 0.955,500 1.062,501 0.865,502 0.892,503 0.581,504 0.861,505 1.038,506 1.111,507 0.976,508 1.012,509 0.918,510 0.986,511 0.961,512 1.079,513 0.897,514 0.982,515 1.061,516 0.929,517 1.278,518 1.039,519 1.008,520 0.869,521 1.478,522 0.877,523 1.091,524 1.081,525 1.065,526 1.029,527 1.053,528 1.03,529 1.178,530 1.038,531 1.222,532 1.079,533 1.224,534 1.14,535 0.381,536 1.043,537 1.021,538 1.34,539 0.444,540 1.315,541 8,542 0.22,543 4.444,544 2.382,545 1.92,546 1.754,547 0.989,548 0.474,549 0.415,550 0.388,551 32616,552 85464,553 2.09,554 45.3,556 28,559 3,561 3,564 1.8,565 1.968,566 4.036,567 0.813,573 121.608,574 1.621,575 3.797,576 4.716,577 5.132,578 5.239,579 5.319,580 3.521,581 5.016,582 5.324,583 4.305,584 3530.42,585 9.373,586 67103.7,591 467.161,592 1.363,593 5.294,594 0.178,595 0.006,596 0.072,597 0.037,598 0.031,599 0.029,600 0.016,601 0.009,602 0.009,603 0.011,604 0.397,605 0.33,606 0.63,607 1.236,608 239.168,610 -0.258,611 0.068,612 -0.131,613 -0.025,614 -0.038,615 0.06,616 0.087,617 0.078,618 0.104,619 0.096,620 0.093,621 -0.05,622 -0.033,623 -0.018,624 -0.014,625 -0.02,626 -0.014,627 -0.019,628 -0.066,629 0.084,630 -0.008,631 0.004,632 0.048,633 -0.165,634 -0.002,635 -0.016,636 0.089,637 -0.15,638 0.073,639 -0.092,640 0.027,641 -0.114,642 -0.037,643 -0.06,644 -0.069,645 -0.172,646 0.049,647 -0.272,648 -0.068,649 -0.177,650 -0.167,651 0.303,652 -0.049,653 -0.094,654 -0.252,655 0.259,656 -0.252,657 2.064,658 5.605,659 0.659,660 62.051,661 1.008,662 1.141,663 2.814,664 7.921,665 0.647,666 3.829,667 4.143,668 4.407,669 4.673,670 4.92,671 5.063,672 5.247,673 5.38,674 5.46,675 5.587,676 10.379,677 0.622,678 558.72,679 3.829,680 5.371,681 6.217,682 7.091,683 7.958,684 8.841,685 9.719,686 10.609,687 11.495,688 12.39,689 13.3,692 1,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,718 1,726 1,731 75,733 24,734 2,735 45,737 79,738 28,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 1,761 18,762 10,766 2,771 2,775 2,781 34,782 12,783 3,784 13,790 10,794 0.8,795 3,806 1,811 1,812 4,815 1,836 1,839 1,840 4,844 3,848 41,854 7,855 3,856 1,859 2,867 1,870 4,873 2,874 1,877 20.833,878 14.317,879 9.083,880 4.529,881 4.256,882 1.486,883 0.982,884 9.291,885 13.007,886 4.078,887 4.656,888 5.241,889 5.847,890 6.405,891 6.789,892 7.26,893 7.682,894 7.975,895 8.378,896 0.917,897 64,898 15.163,900 6.374,901 7.748,902 28.858,904 23.166,905 2.248,906 92.167,910 364.904,911 150.522,912 128.832,914 61.29,917 150.522,918 426.194,919 128.832,920 25.618,921 73.746,922 75.81,923 134.484,924 24.382,925 6.604,926 364.904,928 364.904,929 279.354,930 61.29,933 331.919,934 85.603,935 11,937 91.331,938 118.92,939 66.775,941 364.904,942 190.122,943 150.522,946 364.904,947 49.094,948 109.453,949 54.032,950 128.064,951 364.904,952 190.122,953 150.522,955 0.576,956 0.329,957 0.177,958 0.097,959 28,960 13,961 0.114,962 9,963 1,964 1.074,965 5.163,966 399.771,967 0.074,968 27,969 205.66,974 28.739,975 13.256,976 7.113,977 1.35,978 188.345,979 14.07,980 18.193,984 3.806,985 1.759,986 54.032,987 705.548,988 58,993 24.864,997 -0.551,999 75.603,1000 85.594,1001 0.26,1002 0.61,1003 0.757,1004 0.824,1005 0.841,1006 0.854,1007 5.316,1008 1.996,1009 6.192,1010 5.793,1011 4.828,1012 5.345,1013 2.437,1014 6.987,1015 4.737,1016 6.508,1017 1.9,1018 7.739,1019 5.203,1020 4.369,1021 5.147,1022 1.404,1023 7.861,1024 4.244,1025 7.807,1026 1.522,1027 9.385,1028 5.079,1029 6.405,1030 7.533,1031 2.755,1032 10.959,1033 6.228,1034 9.143,1035 1.498,1036 11.091,1037 4.262,1038 6.77,1039 8.198,1040 2.382,1041 12.69,1042 6.559,1043 10.514,1044 1.446,1045 12.837,1046 3.864,1047 8.261,1048 10.061,1049 3.394,1050 15.31,1051 8.002,1052 11.909,1053 1.164,1054 14.612,1055 3.779,1056 9.014,1057 11.144,1058 3.421,1059 17.412,1060 8.716,1061 13.325,1062 1,1063 16.407,1064 2.905,1065 10.283,1066 12.795,1067 4.218,1068 19.878,1069 9.938,1070 3.254,1071 1,1072 18.22,1073 2.275,1074 11.231,1075 14.093,1076 4.467,1077 22.15,1078 10.839,1079 2.838,1080 11.391,1081 20.045,1082 2.275,1083 12.411,1084 15.657,1085 5.136,1086 24.572,1087 11.97,1088 2.791,1089 8.946,1090 21.882,1091 4.627,1092 13.458,1093 17.065,1094 5.504,1095 26.923,1096 12.964,1097 2.671,1098 8.804,1099 23.729,1100 3.795,1101 14.608,1102 18.596,1103 6.101,1104 29.337,1105 14.061,1106 2.587,1107 8.596,1108 25.584,1109 3.77,1110 15.705,1111 20.061,1112 6.531,1113 31.727,1114 15.101,1115 2.351,1116 7.59,1117 27.446,1118 3.312,1119 16.849,1120 21.582,1121 7.087,1122 34.144,1123 16.189,1124 2.215,1125 6.872,1126 29.314,1127 3.187,1128 17.975,1129 23.077,1130 7.551,1131 36.554,1132 17.254,1133 30861,1134 50195,1135 30.224,1136 48.557,1137 67.139,1138 68.741,1139 68.707,1140 66.753,1141 66.753,1142 85.426,1143 10.843,1144 188.977,1145 63.714,1146 5.673,1147 5.568,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 20.962,1156 1.492,1157 1.528,1158 1.527,1159 1.483,1160 1.483,1161 1.898,1162 0.241,1163 4.199,1164 1.416,1165 4.112,1166 4.169,1167 4.095,1168 3.946,1169 7.432,1170 3.97,1171 3.952,1172 3.987,1173 3.903,1174 3.856,1175 7.428,1176 3.862,1177 3.873,1178 3.908,1179 3.82,1180 3.762,1181 5.221,1182 3.778,1183 3.737,1184 3.8,1185 3.624,1186 3.5,1187 4.792,1188 3.52,1189 3.692,1190 3.776,1191 3.561,1192 3.467,1193 4.72,1194 3.477,1195 3.498,1196 3.557,1197 3.433,1198 3.265,1199 4.628,1200 3.284,1201 3.423,1202 3.495,1203 3.3,1204 3.193,1205 4.509,1206 3.216,1207 3.324,1208 3.395,1209 3.21,1210 3.064,1211 4.35,1212 3.09,1213 0.104,1214 0.079,1215 0.152,1216 0.093,1217 0.072,1218 4.673,1219 0.103,1220 3.568,1221 0.037,1222 6.84,1223 0.253,1224 4.197,1225 0.068,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.949,1232 1.918,1233 2.031,1234 2.088,1235 1.217,1236 2.067,1237 1.909,1238 1.883,1239 2.007,1240 2.025,1241 1.139,1242 2.019,1243 1.785,1244 1.741,1245 1.931,1246 1.956,1247 1.11,1248 1.953,1249 1.642,1250 1.569,1251 1.894,1252 1.896,1253 1.076,1254 1.9,1255 1.633,1256 1.558,1257 1.86,1258 1.882,1259 1.041,1260 1.874,1261 1.475,1262 1.402,1263 1.644,1264 1.723,1265 0.825,1266 1.703,1267 1.347,1268 1.288,1269 1.618,1270 1.639,1271 0.748,1272 1.624,1273 1.234,1274 1.165,1275 1.513,1276 1.524,1277 0.727,1278 1.5,1279 4.511,1281 5.826,1282 2.398,1283 7.33,1284 4.727,1285 8.92,1286 6.843,1287 10.561,1289 5.892,1295 4.643,1296 8.488,1297 5.507,1300 4.145,1305 46.68,1306 121.608,1307 284.755,1308 353.677,1309 384.897,1310 392.897,1311 398.897,1312 77.067,1313 8.751,1314 142.43,1315 142.43,1316 29,1317 12.918,1318 4.644,1319 3.807,1320 66.966,1321 260,1322 285,1323 0.124,1324 287.192,1325 492.25,1326 692.508,1327 96982,1329 28.769,1330 0.702,1331 0.571,1332 28.769,1333 23.424,1334 19.906,1335 0.442,1336 0.301,1337 13.292,1338 18.864,1339 12.97,1340 10.775,1341 19.906,1342 13.564,1343 17.807,1344 0.287,1345 0.159,1346 17.807,1347 9.841,1348 14.672,1349 0.181,1350 0.082,1351 14.672,1352 6.605,1353 12.256,1354 0.116,1355 0.041,1356 12.256,1357 4.376,1358 9.839,1359 0.072,1360 0.021,1361 9.839,1362 2.901,1363 0.204,1364 126.519,1365 0.182,1366 37.595,1367 0.316,1368 214,1369 661.721,1370 241.317,1371 633.446,1372 868.64,1373 594,1374 250,1375 647.777,1376 278.932,1377 650.577,1378 951.63,1379 610,1380 9}
{0 CHEMBL590594,1 1.606,2 18.786,3 2.381,4 5.671,5 160.734,6 7.343,7 0.478,8 4.459,9 4.597,10 4.012,11 3.907,12 5.55,13 3.906,14 5.009,15 5.211,16 4.353,17 4.285,18 6.071,19 4.263,20 5.228,21 5.453,22 4.407,23 4.428,24 6.267,25 4.376,26 5.299,27 5.551,28 4.391,29 4.426,30 6.344,31 4.362,32 5.235,33 5.468,34 4.366,35 4.393,36 6.309,37 4.343,38 5.21,39 5.438,40 4.355,41 4.397,42 6.268,43 4.344,44 5.188,45 5.409,46 4.295,47 4.416,48 6.213,49 4.339,50 5.235,51 5.472,52 4.178,53 4.396,54 6.329,55 4.27,56 0.117,57 1.242,58 16.647,59 6.164,60 11.332,61 8.886,62 0.623,63 1.888,64 32.534,65 9.781,66 41.465,67 14.789,68 0.654,69 2.2,70 41.733,71 12.411,72 59.645,73 19.001,74 0.717,75 2.237,76 46.279,77 13.142,78 78.104,79 20.568,80 0.659,81 2.129,82 42.853,83 11.886,84 80.591,85 18.553,86 0.82,87 2.134,88 41.386,89 11.444,90 71.338,91 17.771,92 0.597,93 2.093,94 39.469,95 12.505,96 51.712,97 18.92,98 0.809,99 2.006,100 42.824,101 15.237,102 113.979,103 22.04,104 35,105 63,106 0.244,107 0.577,108 0.731,109 0.792,110 0.808,111 0.82,112 3.764,113 0.917,114 -4.24,115 -4.18,116 -3.95,119 37.2,120 1,121 1,124 2,125 7,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 8,174 4,175 5,178 3,179 1,180 6,183 8,186 5,187 7,192 6,195 4,198 5,199 15,202 1,204 8,207 1,211 1,212 10,217 4,220 2,223 2,224 13,227 3,228 1,229 2,232 7,236 3,237 7,245 10,249 3,250 4,253 6,254 1,255 1,258 10,263 3,266 2,271 4,275 4014,276 28.593,277 28.593,278 28.593,279 28.593,280 28.593,281 25.865,282 37.795,283 17.056,284 29.351,285 22.678,286 22.678,287 22.678,288 22.678,289 22.678,290 18.318,291 49.402,292 8.075,293 23.815,294 4.679,295 2.493,296 1.481,297 1.08,298 0.978,299 0.901,300 4.468,306 1711,307 4.583,310 120.697,311 585.838,314 211.118,318 3.102,319 40.878,322 0.5,323 0.5,324 0.5,325 0.8,326 0.5,327 0.5,328 0.5,329 0.54,330 92,331 789,332 4.673,333 3.568,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.199,342 3.55,343 6.11,344 3.834,345 2.838,346 3.795,347 1.058,348 8.946,349 2.829,350 4.167,351 3.348,352 6.095,353 3.771,354 2.791,355 3.77,356 0.86,357 8.804,358 2.729,359 3.915,360 2.906,361 6.03,362 3.592,363 2.671,364 3.312,365 0.8,366 8.596,367 2.495,368 3.865,369 2.796,370 5.557,371 3.554,372 2.586,373 3.187,374 0.8,375 7.59,376 2.455,377 3.696,378 2.578,379 5.31,380 3.318,381 2.349,382 3.069,383 0.247,384 6.871,385 2.272,386 3.366,387 2.563,388 5.12,389 3.148,390 2.228,391 2.59,393 5.793,394 2.05,395 3.23,396 2.417,397 4.679,398 2.943,399 1.997,400 2.279,402 5.189,403 1.905,404 3.183,405 2.318,406 4.657,407 2.887,408 1.905,409 2.235,411 5.094,412 1.834,413 2.964,414 1.908,415 4.417,416 2.551,417 1.59,418 2.16,420 4.267,421 1.521,422 2.865,423 1.896,424 4.351,425 2.436,426 1.508,427 1.921,428 3.886,429 1.406,430 2.744,431 1.668,432 4.19,433 2.392,434 1.464,435 1.818,436 3.855,437 1.341,438 2.5,439 1.535,440 3.761,441 2.143,442 1.167,443 1.5,445 2.905,446 1.135,447 2.5,448 1.32,449 3.43,450 2.079,451 1.132,452 1.5,454 2.479,455 1.059,456 2.473,457 1.256,458 3.414,459 2,460 1,461 1.466,463 2.275,464 1,465 19.5,466 0.464,467 0.938,468 0.022,469 53.25,470 1.268,471 24.5,472 0.583,473 28.75,474 0.685,475 38.356,476 0.913,477 46.5,478 0.596,479 47.073,480 1.121,481 10.696,482 0.255,483 9.71,484 0.231,485 0.111,487 0.318,493 0.789,494 1.554,495 0.794,496 1.248,497 0.589,498 1.049,499 0.945,500 1.075,501 0.878,502 0.917,503 0.576,504 0.885,505 1.034,506 1.141,507 0.967,508 1.02,509 0.903,510 0.986,511 0.961,512 1.002,513 0.902,514 0.938,515 1.055,516 0.906,517 1.234,518 1.134,519 0.995,520 0.966,521 1.449,522 0.937,523 1.159,524 0.97,525 1.089,526 0.917,527 1.164,528 0.968,529 0.931,530 1.087,531 1.107,532 1.134,533 0.806,534 1.137,535 0.642,536 0.99,537 1.044,538 1.234,539 0.926,540 1.231,541 8,542 0.261,543 4.444,544 2.382,545 2,546 1.698,547 0.989,548 0.474,549 0.452,550 0.372,551 35323,552 90157,553 2.088,554 46.2,556 28,559 3,561 3,562 2,564 1.805,565 1.969,566 4.091,567 0.796,573 125.288,574 1.606,575 3.792,576 4.805,577 5.205,578 5.308,579 5.385,580 3.588,581 4.88,582 5.358,583 4.364,584 3757.66,585 9.439,586 73457.7,591 490.261,592 1.351,593 5.33,594 0.174,595 0.007,596 0.071,597 0.037,598 0.032,599 0.027,600 0.016,601 0.008,602 0.009,603 0.01,604 0.391,605 0.17,606 0.63,607 1.345,608 247.469,609 0.007,610 -0.25,611 0.068,612 -0.127,613 -0.018,614 -0.037,615 0.069,616 0.077,617 0.072,618 0.087,619 0.102,620 0.078,621 -0.051,622 -0.069,623 -0.003,624 -0.019,625 -0.009,626 -0.008,627 -0.01,628 0.012,629 0.084,630 0.031,631 0.006,632 0.069,633 -0.153,634 -0.097,635 -0.009,636 0.015,637 -0.133,638 0.03,639 -0.098,640 0.119,641 -0.112,642 0.048,643 -0.107,644 -0.018,645 -0.06,646 0.003,647 -0.167,648 -0.105,649 -0.036,650 -0.14,651 0.227,652 -0.013,653 -0.09,654 -0.167,655 0.174,656 -0.19,657 2.061,658 5.63,659 0.643,660 66.891,661 1.006,662 1.141,663 3.01,664 9.059,665 0.645,666 3.85,667 4.159,668 4.419,669 4.682,670 4.927,671 5.063,672 5.257,673 5.389,674 5.468,675 5.587,676 10.768,677 0.618,678 572.75,679 3.85,680 5.389,681 6.232,682 7.104,683 7.969,684 8.85,685 9.727,686 10.615,687 11.5,688 12.394,689 12.8,692 1,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,718 1,726 1,731 78,733 24,734 2,735 46,737 82,738 29,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 1,758 1,761 18,762 11,766 2,771 2,775 2,781 36,782 12,783 3,784 13,790 10,794 0.8,795 3,806 1,811 1,812 4,815 1,836 1,839 1,840 4,844 3,848 42,854 8,855 3,856 1,859 2,867 1,870 3.8,873 2,874 1,877 21.333,878 14.817,879 9.333,880 4.779,881 4.264,882 1.484,883 0.979,884 9.847,885 13.065,886 4.094,887 4.666,888 5.246,889 5.85,890 6.407,891 6.788,892 7.262,893 7.683,894 7.976,895 8.377,896 1,897 65,898 15.544,900 6.52,901 7.73,902 29.675,904 23.833,905 2.23,906 93.667,910 388.446,911 153.056,912 128.832,914 61.29,917 153.056,918 449.736,919 128.832,920 25.618,921 76.28,922 75.81,923 134.484,924 24.382,925 6.604,926 388.446,928 388.446,929 281.888,930 61.29,933 331.919,934 109.145,935 11,937 93.866,938 118.92,939 66.775,941 388.446,942 190.122,943 153.056,946 388.446,947 51.628,948 109.453,949 54.032,950 128.064,951 388.446,952 190.122,953 153.056,955 0.574,956 0.328,957 0.176,958 0.096,959 28,960 13,961 0.122,962 10,963 1,964 1.074,965 5.271,966 409.636,967 0.074,968 27,969 212.477,974 29.704,975 13.924,976 7.552,977 1.351,978 188.345,979 14.116,980 18.207,984 3.825,985 1.76,986 54.032,987 731.624,988 59,993 24.957,997 -0.533,999 78.487,1000 89.009,1001 0.256,1002 0.603,1003 0.764,1004 0.828,1005 0.844,1006 0.857,1007 5.33,1008 1.997,1009 6.205,1010 5.793,1011 4.844,1012 5.354,1013 2.437,1014 6.995,1015 4.754,1016 6.518,1017 1.905,1018 7.748,1019 5.189,1020 4.369,1021 5.147,1022 1.404,1023 7.861,1024 4.244,1025 7.815,1026 1.59,1027 9.391,1028 5.094,1029 6.415,1030 7.536,1031 2.755,1032 10.961,1033 6.24,1034 9.149,1035 1.508,1036 11.095,1037 4.267,1038 6.77,1039 8.198,1040 2.382,1041 12.69,1042 6.559,1043 10.518,1044 1.464,1045 12.84,1046 3.886,1047 8.266,1048 10.062,1049 3.394,1050 15.31,1051 8.008,1052 11.912,1053 1.167,1054 14.613,1055 3.855,1056 9.014,1057 11.144,1058 3.421,1059 17.412,1060 8.716,1061 13.327,1062 1.132,1063 16.408,1064 2.905,1065 10.286,1066 12.795,1067 4.218,1068 19.878,1069 9.941,1070 3.254,1071 1,1072 18.22,1073 2.479,1074 11.231,1075 14.093,1076 4.467,1077 22.15,1078 10.839,1079 2.838,1080 11.391,1081 20.046,1082 2.275,1083 12.412,1084 15.657,1085 5.136,1086 24.572,1087 11.972,1088 2.791,1089 8.946,1090 21.883,1091 4.627,1092 13.458,1093 17.065,1094 5.504,1095 26.923,1096 12.964,1097 2.671,1098 8.804,1099 23.729,1100 3.795,1101 14.608,1102 18.596,1103 6.101,1104 29.337,1105 14.062,1106 2.586,1107 8.596,1108 25.584,1109 3.77,1110 15.705,1111 20.061,1112 6.531,1113 31.727,1114 15.101,1115 2.349,1116 7.59,1117 27.446,1118 3.312,1119 16.849,1120 21.582,1121 7.087,1122 34.144,1123 16.189,1124 2.228,1125 6.871,1126 29.314,1127 3.187,1128 17.975,1129 23.077,1130 7.551,1131 36.554,1132 17.254,1133 33469,1134 53760,1135 30.917,1136 50.319,1137 68.259,1138 70.237,1139 69.975,1140 68.043,1141 68.029,1142 86.697,1143 10.843,1144 191.541,1145 64.989,1146 5.673,1147 5.568,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 21.352,1156 1.484,1157 1.527,1158 1.521,1159 1.479,1160 1.479,1161 1.885,1162 0.236,1163 4.164,1164 1.413,1165 4.112,1166 4.169,1167 4.095,1168 3.946,1169 7.432,1170 3.971,1171 3.953,1172 3.987,1173 3.903,1174 3.857,1175 7.428,1176 3.862,1177 3.873,1178 3.909,1179 3.82,1180 3.762,1181 5.221,1182 3.778,1183 3.738,1184 3.807,1185 3.624,1186 3.532,1187 4.792,1188 3.533,1189 3.722,1190 3.795,1191 3.582,1192 3.498,1193 4.72,1194 3.517,1195 3.515,1196 3.579,1197 3.448,1198 3.268,1199 4.628,1200 3.294,1201 3.444,1202 3.524,1203 3.321,1204 3.224,1205 4.509,1206 3.235,1207 3.37,1208 3.435,1209 3.242,1210 3.123,1211 4.346,1212 3.144,1213 0.102,1214 0.078,1215 0.149,1216 0.091,1217 0.071,1218 4.673,1219 0.101,1220 3.568,1221 0.036,1222 6.84,1223 0.248,1224 4.197,1225 0.067,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.949,1232 1.918,1233 2.031,1234 2.088,1235 1.234,1236 2.068,1237 1.909,1238 1.884,1239 2.009,1240 2.025,1241 1.217,1242 2.02,1243 1.785,1244 1.741,1245 1.938,1246 1.956,1247 1.112,1248 1.954,1249 1.691,1250 1.615,1251 1.93,1252 1.914,1253 1.088,1254 1.926,1255 1.633,1256 1.569,1257 1.86,1258 1.885,1259 1.041,1260 1.875,1261 1.475,1262 1.403,1263 1.708,1264 1.727,1265 0.825,1266 1.71,1267 1.412,1268 1.332,1269 1.643,1270 1.691,1271 0.825,1272 1.691,1273 1.276,1274 1.222,1275 1.513,1276 1.558,1277 0.748,1278 1.523,1279 4.533,1281 5.844,1282 2.398,1283 7.343,1284 4.727,1285 8.93,1286 6.843,1287 10.568,1289 5.994,1295 5.715,1296 8.54,1297 5.511,1300 4.224,1305 48.207,1306 125.288,1307 295.8,1308 374.777,1309 405.997,1310 413.997,1311 419.997,1312 80.835,1313 8.801,1314 142.43,1315 142.43,1316 29,1317 12.922,1318 4.644,1319 3.807,1320 69.537,1321 275,1322 310,1323 0.121,1324 296.784,1325 509.55,1326 715.914,1327 104651,1329 29.476,1330 0.702,1331 0.575,1332 29.476,1333 24.131,1334 20.406,1335 0.444,1336 0.306,1337 13.792,1338 19.363,1339 13.46,1340 11.191,1341 20.406,1342 14.064,1343 18.161,1344 0.288,1345 0.162,1346 18.161,1347 10.194,1348 14.922,1349 0.182,1350 0.083,1351 14.922,1352 6.828,1353 12.427,1354 0.116,1355 0.043,1356 12.427,1357 4.58,1358 10.017,1359 0.073,1360 0.022,1361 10.017,1362 3.016,1363 0.2,1364 129.519,1365 0.18,1366 38.447,1367 0.306,1368 218,1369 665.721,1370 245.317,1371 637.607,1372 874.4,1373 598,1374 254,1375 651.777,1376 282.904,1377 654.736,1378 957.33,1379 614,1380 8.62}
{0 CHEMBL590619,1 1.625,2 8.821,3 -0.002,5 102.289,6 7.48,7 0.5,8 4.072,9 4.2,10 3.654,11 3.52,12 5.123,13 3.532,14 4.653,15 4.844,16 4.019,17 3.939,18 5.651,19 3.928,20 4.906,21 5.139,22 4.069,23 4.085,24 5.857,25 4.029,26 4.908,27 5.165,28 4.043,29 4.077,30 5.823,31 4.01,32 4.853,33 5.086,34 4.077,35 4.063,36 5.862,37 4.02,38 4.826,39 5.038,40 4.073,41 4.064,42 5.837,43 4.031,44 4.826,45 5.029,46 4.011,47 4.072,48 5.81,49 4.008,50 4.917,51 5.155,52 3.885,53 4.081,54 5.824,55 3.974,56 0.073,57 0.838,58 10.875,59 3.979,60 8.903,61 5.686,62 0.394,63 1.338,64 22.072,65 6.593,66 25.188,67 9.729,68 0.576,69 1.57,70 30.382,71 8.861,72 44.452,73 13.683,74 0.505,75 1.581,76 30.746,77 8.946,78 36.742,79 14.134,80 0.506,81 1.545,82 28.343,83 7.8,84 47.053,85 12.63,86 0.527,87 1.557,88 26.627,89 7.177,90 34.462,91 11.225,92 0.497,93 1.5,94 26.372,95 8.396,96 32.89,97 12.61,98 0.449,99 1.478,100 30.576,101 10.244,102 41.297,103 15.062,104 2,105 45,106 0.272,107 0.623,108 0.785,109 0.818,110 0.818,111 0.818,112 3.376,113 0.911,114 -3.09,115 -3.09,116 -2.97,119 37.3,121 2,125 6,127 1,142 1,143 1,144 1,145 2,146 1,147 1,149 1,160 1,161 1,172 1,174 4,175 5,180 3,183 1,186 4,187 3,190 1,192 1,198 5,199 6,202 1,211 1,212 3,215 2,223 3,224 5,227 2,232 2,236 3,237 1,240 2,245 2,250 3,253 3,255 1,262 1,263 2,268 3,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.782,282 25.261,283 11.727,284 20.262,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 13.074,291 33.524,292 5.627,293 17,294 4.047,295 1.951,296 0.98,297 0.784,298 0.784,299 0.784,300 4.092,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 27.159,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 61.5,331 247,332 4.694,333 3.379,334 6.903,335 4.224,336 3.288,337 4.638,338 0.86,339 11.617,340 3.077,341 4.19,342 3.029,343 6.328,344 3.805,345 2.854,346 3.81,347 0.8,348 9.591,349 2.728,350 3.983,351 2.875,352 6.124,353 3.704,354 2.76,355 3.353,356 0.4,357 9.006,358 2.595,359 3.603,360 2.548,361 5.574,362 3.287,363 2.344,364 2.996,366 7.156,367 2.203,368 3.436,369 2.371,370 5.05,371 3.142,372 2.2,373 2.523,375 6.076,376 2.063,377 3.012,378 2.217,379 4.792,380 2.762,381 1.843,382 2.14,384 4.963,385 1.69,386 2.936,387 1.878,388 4.327,389 2.42,390 1.513,391 2.065,393 4.043,394 1.372,395 2.696,396 1.532,397 4.161,398 2.393,399 1.468,400 1.765,402 3.569,403 1.351,404 2.621,405 1.468,406 3.753,407 2.12,408 1.225,409 1.658,411 2.916,412 1.094,413 2.442,414 1.256,415 3.5,416 2.042,417 1.133,418 1.426,420 2.602,421 1.023,422 2.242,423 1.183,424 3.474,425 1.984,426 1,427 1.222,428 2.488,429 0.983,430 2,431 1.077,432 3.399,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.025,440 3.247,441 1.932,442 1,443 1,445 2.136,446 0.929,447 1.947,448 0.728,449 3.247,450 1.544,451 0.634,452 0.81,454 1.753,455 0.576,456 1.038,457 -0.057,458 2.756,459 0.606,460 -0.317,461 -0.396,463 -0.808,464 -0.291,465 12.967,466 0.463,467 0.551,468 0.02,469 35.75,470 1.277,471 15,472 0.536,473 20.75,474 0.741,475 24.028,476 0.858,477 30.833,478 0.605,479 25.924,480 0.926,481 6.772,482 0.242,483 7.021,484 0.251,485 0.026,487 0.332,493 0.97,494 1.686,495 0.771,496 1.256,497 0.861,498 1.017,499 1.161,500 1.121,501 0.946,502 0.952,503 0.746,504 0.911,505 0.932,506 1.088,507 0.922,508 0.956,509 0.774,510 0.943,511 0.682,512 0.945,513 0.836,514 0.895,515 0.646,516 0.88,517 0.843,518 1.152,519 0.888,520 0.918,521 0.817,522 0.895,523 1.093,524 1.027,525 1.146,526 0.98,527 0.92,528 1.029,529 0.846,530 1.187,531 1.149,532 1.245,533 0.832,534 1.241,535 0.848,536 1.012,537 1.1,538 1.229,539 0.872,540 1.212,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 23298,553 2.223,554 45.1,556 14,558 3,559 2,562 4,564 1.72,565 2.154,566 3.136,567 0.318,569 1,573 82.89,574 1.625,575 3.722,576 4.692,577 4.888,578 4.888,579 4.888,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,591 289.294,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.5,606 0.88,607 0.343,608 136.928,609 -0.094,610 -0.412,611 0.074,612 -0.145,613 -0.026,614 -0.027,615 -0.113,616 0.035,617 -0.016,618 0.042,619 0.018,620 0.03,621 0.017,622 -0.058,623 0.04,624 0.03,625 0.079,626 0.031,627 0.071,628 0.085,629 0.122,630 0.072,631 0.054,632 0.102,633 0.013,634 -0.075,635 0.06,636 0.052,637 0.035,638 0.068,639 -0.146,640 0.145,641 -0.214,642 -0.039,643 -0.143,644 -0.114,645 0.039,646 -0.063,647 -0.235,648 -0.229,649 -0.044,650 -0.27,651 -0.009,652 -0.017,653 -0.155,654 -0.194,655 0.019,656 -0.196,657 1.569,658 3.855,659 0.964,660 24,661 1.009,662 1.142,663 1.863,664 3.47,665 0.648,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.623,678 381.49,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 13.7,691 1,695 1,697 1,699 4,703 2,704 4,705 4,709 4,710 1,711 16,726 1,728 1,731 51,733 16,735 32,737 55,738 19,739 10,746 5,747 6,755 3,758 3,761 10,762 9,778 1,781 23,782 8,783 2,784 9,787 1,790 7,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,835 1,839 1,840 4,848 28,853 1,854 8,855 1,856 1,858 1,859 1,870 3.9,872 1,874 1,877 13,878 8.983,879 6.083,880 3.204,881 2.982,882 1.377,883 0.992,884 4.848,885 10.893,886 3.714,887 4.314,888 4.96,889 5.616,890 6.203,891 6.647,892 7.174,893 7.646,894 7.985,895 8.342,896 0.833,897 46,898 10.375,900 4.504,901 7.619,902 20.173,904 17.117,905 2.119,906 59.333,910 247.193,911 70.567,912 90.176,914 53.683,917 70.567,918 300.876,919 90.176,921 22.677,922 27.487,923 166.473,924 30.776,925 2.328,926 211.88,928 247.193,929 160.743,930 53.683,933 202.437,934 89.768,935 11,937 73.159,938 18.114,939 67.142,941 247.193,942 143.86,943 70.567,946 247.193,947 34.378,948 41.213,949 18.011,950 120.825,951 247.193,952 143.86,953 70.567,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.055,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 126.606,974 17.801,975 7.625,976 3.47,977 1.652,978 141.96,979 6.617,980 18.431,984 2.155,985 2.182,986 60.694,987 461.62,988 40,999 51.436,1000 58.229,1001 0.287,1002 0.656,1003 0.827,1004 0.862,1005 0.862,1006 0.862,1007 4.963,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.001,1013 1.324,1014 6.725,1015 4.379,1016 6.146,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.796,1022 0.325,1023 7.662,1024 3.827,1025 7.452,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.224,1031 0.958,1032 10.826,1033 5.862,1034 8.799,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 7.946,1040 0.268,1041 12.643,1042 6.192,1043 10.187,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 9.821,1049 0.736,1050 15.31,1051 7.658,1052 11.603,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.972,1058 0.188,1059 17.479,1060 8.395,1061 13.042,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.629,1067 0.57,1068 19.984,1069 9.63,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 13.981,1076 0.125,1077 22.301,1078 10.559,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.553,1085 0.439,1086 24.754,1087 11.702,1088 2.76,1089 9.591,1090 21.845,1091 4.638,1092 13.406,1093 16.999,1094 0.082,1095 27.137,1096 12.722,1097 2.344,1098 9.006,1099 23.72,1100 3.81,1101 14.581,1102 18.539,1103 0.334,1104 29.577,1105 13.832,1106 2.2,1107 7.156,1108 25.601,1109 3.353,1110 15.712,1111 20.029,1112 0.054,1113 31.991,1114 14.895,1115 1.843,1116 6.076,1117 27.488,1118 2.996,1119 16.881,1120 21.56,1121 0.252,1122 34.43,1123 15.997,1124 1.513,1125 4.963,1126 29.38,1127 2.523,1128 18.034,1129 23.071,1130 0.035,1131 36.861,1132 17.082,1133 8616,1134 13775,1135 22.364,1136 33.04,1137 48.6,1138 48.776,1139 49.005,1140 48.548,1141 48.523,1142 60.813,1143 4.12,1144 140.1,1145 45.26,1146 5.694,1147 5.379,1148 6.705,1149 5.328,1150 5.288,1151 7.638,1152 1.72,1153 19.164,1154 5.018,1155 6.891,1156 1.519,1157 1.524,1158 1.531,1159 1.517,1160 1.516,1161 1.9,1162 0.129,1163 4.378,1164 1.414,1165 4.134,1166 4.187,1167 4.111,1168 3.957,1169 6.471,1170 3.99,1171 3.859,1172 3.904,1173 3.805,1174 3.731,1175 5.14,1176 3.744,1177 3.783,1178 3.839,1179 3.675,1180 3.608,1181 4.788,1182 3.615,1183 3.692,1184 3.756,1185 3.571,1186 3.477,1187 4.62,1188 3.493,1189 3.265,1190 3.333,1191 3.208,1192 3.03,1193 4.468,1194 3.065,1195 3.111,1196 3.206,1197 2.918,1198 2.941,1199 4.332,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.026,1206 2.91,1207 3.003,1208 3.069,1209 2.866,1210 2.79,1211 3.68,1212 2.809,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.694,1219 0.145,1220 3.379,1221 0.027,1222 6.903,1223 0.363,1224 4.224,1225 0.096,1226 3.288,1227 4.638,1228 0.86,1229 11.617,1230 3.077,1231 1.92,1232 1.88,1233 2.05,1234 2.097,1235 1.402,1236 2.078,1237 1.823,1238 1.769,1239 1.963,1240 2.009,1241 1.211,1242 2.005,1243 1.735,1244 1.687,1245 1.896,1246 1.934,1247 0.983,1248 1.924,1249 1.55,1250 1.502,1251 1.657,1252 1.765,1253 0.825,1254 1.74,1255 1.311,1256 1.23,1257 1.513,1258 1.598,1259 0.825,1260 1.568,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.789,1266 1.429,1267 1.153,1268 1.064,1269 1.476,1270 1.376,1271 0.59,1272 1.429,1273 0.968,1274 0.929,1275 1.189,1276 1.203,1277 0.278,1278 1.199,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.855,1295 6.96,1296 3.407,1297 5.504,1299 0.369,1300 2.201,1305 31.794,1306 82.89,1307 189.807,1308 239.294,1309 249.294,1310 249.294,1311 249.294,1312 38.32,1313 7.911,1314 101.22,1315 101.22,1316 29,1317 12.772,1318 4.087,1319 3.17,1320 37.229,1321 95,1322 93,1323 0.195,1324 191.119,1325 318.86,1326 458.09,1327 27442,1329 18.924,1330 0.676,1331 0.557,1332 18.924,1333 15.582,1334 13.793,1335 0.431,1336 0.304,1337 9.523,1338 13.062,1339 9.419,1340 7.685,1341 13.793,1342 9.718,1343 12.292,1344 0.273,1345 0.16,1346 12.292,1347 7.207,1348 10.787,1349 0.171,1350 0.086,1351 10.787,1352 5.398,1353 9.528,1354 0.108,1355 0.045,1356 9.528,1357 3.929,1358 8.076,1359 0.068,1360 0.023,1361 8.076,1362 2.751,1363 0.294,1364 87.717,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 444.089,1370 172.97,1371 422.683,1372 589.18,1373 400,1374 185,1375 443.343,1376 206.082,1377 444.159,1378 660.3,1379 419,1380 7.854}
{0 CHEMBL590620,1 1.649,2 13.472,3 2.782,4 7.738,5 137.001,6 7.907,7 0.537,8 4.286,9 4.404,10 3.915,11 3.8,12 5.34,13 3.794,14 4.861,15 5.042,16 4.299,17 4.221,18 5.866,19 4.195,20 5.126,21 5.34,22 4.355,23 4.387,24 6.084,25 4.312,26 5.194,27 5.45,28 4.288,29 4.386,30 6.067,31 4.29,32 5.154,33 5.395,34 4.32,35 4.379,36 6.085,37 4.303,38 5.15,39 5.372,40 4.332,41 4.397,42 6.091,43 4.326,44 5.151,45 5.371,46 4.313,47 4.4,48 6.068,49 4.307,50 5.205,51 5.447,52 4.244,53 4.39,54 6.108,55 4.276,56 0.057,57 1.011,58 12.443,59 5.436,60 9.866,61 7.15,62 0.409,63 1.667,64 26.241,65 9.013,66 28.057,67 12.173,68 0.593,69 2.02,70 38.532,71 12.715,72 50.734,73 17.717,74 0.592,75 2.13,76 42.988,77 13.672,78 47.067,79 19.947,80 0.562,81 2.09,82 38.383,83 12.508,84 55.674,85 18.445,86 0.656,87 2.123,88 38.702,89 11.823,90 45.585,91 16.949,92 0.542,93 2.055,94 37.058,95 13.222,96 41.996,97 18.794,98 0.613,99 2.012,100 45.789,101 14.453,102 57.759,103 20.219,104 5,105 58,106 0.261,107 0.607,108 0.782,109 0.825,110 0.825,111 0.825,112 3.616,113 0.929,114 -4.84,115 -4.75,116 -4.46,119 40.6,121 2,125 7,127 1,142 5,143 2,144 2,145 2,146 1,147 1,149 1,160 1,161 1,172 5,174 4,175 8,180 1,183 7,186 4,187 5,190 1,192 1,195 4,198 6,199 8,207 3,211 1,212 3,215 2,220 4,223 5,224 7,232 6,236 3,237 3,240 2,245 2,249 2,250 8,253 1,258 2,262 1,263 7,268 2,275 2636,276 24.894,277 24.894,278 24.894,279 24.894,280 24.894,281 22.332,282 30.764,283 14.711,284 25.758,285 20.301,286 20.301,287 20.301,288 20.301,289 20.301,290 16.411,291 39.894,292 7.074,293 21.78,294 4.351,295 2.161,296 1.056,297 0.781,298 0.781,299 0.781,300 4.337,301 1,305 1,306 1088,307 2.646,310 81.089,311 544.886,314 147.648,318 2.142,319 31.572,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 77.833,331 485,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.078,341 4.19,342 3.087,343 6.33,344 3.819,345 2.871,346 3.81,347 0.86,348 9.599,349 2.736,350 4.035,351 2.994,352 6.124,353 3.724,354 2.769,355 3.62,356 0.8,357 9.006,358 2.638,359 3.983,360 2.879,361 5.644,362 3.636,363 2.685,364 3.354,365 0.172,366 7.779,367 2.552,368 3.609,369 2.843,370 5.531,371 3.366,372 2.438,373 2.996,375 7.149,376 2.257,377 3.589,378 2.53,379 5.156,380 3.181,381 2.257,382 2.778,384 6.377,385 2.081,386 3.401,387 2.379,388 5.05,389 3.095,390 2.163,391 2.549,393 6.074,394 1.983,395 3.169,396 2.303,397 4.837,398 2.856,399 1.94,400 2.252,402 5.469,403 1.709,404 2.944,405 2.105,406 4.723,407 2.625,408 1.713,409 2.138,411 4.8,412 1.551,413 2.888,414 1.545,415 4.326,416 2.399,417 1.471,418 1.956,420 4.039,421 1.361,422 2.652,423 1.532,424 4.079,425 2.147,426 1.263,427 1.718,428 3.176,429 1.109,430 2.5,431 1.256,432 3.751,433 2.099,434 1.178,435 1.5,436 2.893,437 1.082,438 2.492,439 1.197,440 3.476,441 2,442 1.04,443 1.488,445 2.528,446 1,447 2.383,448 1.077,449 3.414,450 1.984,451 1,452 1.371,454 2.275,455 0.983,456 2.005,457 1.067,458 3.414,459 1.968,460 1,461 1,463 2.275,464 0.961,465 17.181,466 0.477,467 0.794,468 0.022,469 46.75,470 1.299,471 21,472 0.583,473 25.75,474 0.715,475 33.903,476 0.942,477 38.619,478 0.603,479 36.079,480 1.002,481 8.933,482 0.248,483 8.703,484 0.242,485 0.061,487 0.332,493 0.876,494 1.569,495 0.65,496 1.116,497 0.791,498 0.961,499 1.123,500 1.072,501 0.802,502 0.859,503 0.693,504 0.867,505 0.951,506 1.142,507 0.959,508 1.026,509 0.786,510 1.032,511 0.695,512 0.958,513 0.832,514 0.923,515 0.645,516 0.934,517 0.727,518 1.102,519 0.705,520 0.888,521 0.705,522 0.905,523 0.961,524 0.999,525 1.013,526 1.002,527 0.857,528 1.054,529 0.709,530 1.175,531 0.862,532 1.128,533 0.715,534 1.149,535 0.981,536 0.951,537 1.116,538 1.077,539 0.968,540 1.085,541 6.5,542 0.18,543 3.778,544 1.785,545 1.867,546 1.275,547 0.975,548 0.582,549 0.332,550 0.273,551 20902,552 56692,553 2.203,554 43.8,556 20,558 3,559 1,562 4,564 1.776,565 2.118,566 3.648,567 -0.327,573 105.531,574 1.649,575 3.839,576 4.944,577 5.219,578 5.219,579 5.219,580 3.121,581 4.76,582 5.134,583 3.866,584 2435.72,585 9.043,586 38452,591 384,592 1.194,593 5.125,594 0.159,595 0.006,596 0.065,597 0.03,598 0.033,599 0.022,600 0.017,601 0.011,602 0.007,603 0.007,604 0.355,605 0.17,606 0.75,607 0.375,608 195.851,609 -0.056,610 -0.356,611 0.049,612 -0.117,613 -0.018,614 -0.027,615 -0.104,616 0.08,617 -0.003,618 0.075,619 0.037,620 0.043,621 -0.011,622 -0.094,623 -0.06,624 -0.059,625 0.054,626 -0.072,627 0.05,628 0.058,629 0.037,630 0.023,631 0.037,632 0.047,633 0.045,634 -0.057,635 0.066,636 0.044,637 0.045,638 0.059,639 -0.077,640 0.111,641 -0.17,642 -0.085,643 -0.133,644 -0.13,645 0.09,646 -0.126,647 -0.068,648 -0.167,650 -0.179,651 -0.06,652 0.026,653 -0.116,654 -0.089,655 -0.031,656 -0.092,657 1.578,658 3.994,659 0.917,660 44.827,661 1.006,662 1.132,663 3.612,664 13.047,665 0.675,666 3.738,667 4.078,668 4.382,669 4.691,670 4.99,671 5.124,672 5.371,673 5.58,674 5.74,675 5.894,676 7.822,677 0.644,678 506.06,679 3.738,680 5.293,681 6.159,682 7.048,683 7.933,684 8.831,685 9.727,686 10.632,687 11.535,688 12.444,689 10.9,692 1,695 1,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 1,728 1,730 1,731 64,733 22,734 1,735 41,737 69,738 26,739 16,740 2,741 4,746 6,747 7,748 1,755 3,758 3,761 16,762 10,781 28,782 8,783 1,784 10,785 1,787 1,790 7,794 0.833,795 2,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,845 1,848 36,853 1,854 9,856 1,858 1,859 2,869 1,870 3.1,872 1,874 1,877 17,878 11.41,879 7.75,880 3.97,881 3.77,882 1.43,883 0.999,884 6.763,885 12.541,886 3.97,887 4.577,888 5.187,889 5.809,890 6.388,891 6.755,892 7.252,893 7.72,894 8.07,895 8.446,896 0.889,897 59,898 13.325,900 5.767,901 7.605,902 25.935,904 22.022,905 2.105,906 75.778,910 317.82,911 117.264,912 75.29,913 39.149,914 53.683,917 117.264,918 410.652,919 75.29,921 24.782,922 47.381,923 166.473,924 40.586,925 2.328,926 282.506,927 39.149,928 317.82,929 192.554,930 53.683,931 39.149,933 273.063,934 89.768,935 11,937 60.379,938 62.705,939 106.291,941 317.82,942 128.973,943 156.413,946 317.82,947 43.169,948 82.242,950 159.974,951 317.82,952 128.973,953 156.413,955 0.583,956 0.339,957 0.187,958 0.109,959 30,960 12,961 0.072,962 5,963 1,964 1.061,965 4.696,966 365.445,967 0.061,968 33,969 174.117,974 23.622,975 10.307,976 5.075,977 1.623,978 127.074,979 14.742,980 18.713,984 4.152,985 2.209,986 42.683,987 603.206,988 52,999 64.411,1000 72.418,1001 0.275,1002 0.64,1003 0.824,1004 0.87,1005 0.87,1006 0.87,1007 5.223,1008 1.94,1009 6.138,1010 6.074,1011 4.762,1012 5.265,1013 1.598,1014 6.956,1015 4.629,1016 6.414,1017 1.713,1018 7.693,1019 5.469,1020 4.29,1021 5.037,1022 0.57,1023 7.847,1024 4.072,1025 7.716,1026 1.471,1027 9.348,1028 4.8,1029 6.358,1030 7.464,1031 1.256,1032 10.979,1033 6.109,1034 9.054,1035 1.263,1036 11.063,1037 4.039,1038 6.723,1039 8.115,1040 0.581,1041 12.741,1042 6.397,1043 10.427,1044 1.178,1045 12.819,1046 3.176,1047 8.237,1048 10.005,1049 1.023,1050 15.392,1051 7.875,1052 11.827,1053 1.04,1054 14.605,1055 2.893,1056 9,1057 11.088,1058 0.515,1059 17.528,1060 8.566,1061 13.247,1062 1,1063 16.413,1064 2.528,1065 10.287,1066 12.755,1067 0.84,1068 20.023,1069 9.809,1070 3.289,1071 1,1072 18.238,1073 2.275,1074 11.251,1075 14.06,1076 0.441,1077 22.326,1078 10.701,1079 2.871,1080 11.617,1081 20.078,1082 2.275,1083 12.447,1084 15.634,1085 0.689,1086 24.773,1087 11.844,1088 2.769,1089 9.599,1090 21.93,1091 4.638,1092 13.511,1093 17.051,1094 0.373,1095 27.15,1096 12.837,1097 2.685,1098 9.006,1099 23.791,1100 3.81,1101 14.677,1102 18.59,1103 0.564,1104 29.586,1105 13.944,1106 2.438,1107 7.779,1108 25.661,1109 3.62,1110 15.792,1111 20.063,1112 0.314,1113 31.998,1114 14.988,1115 2.257,1116 7.149,1117 27.538,1118 3.354,1119 16.952,1120 21.591,1121 0.461,1122 34.435,1123 16.084,1124 2.163,1125 6.377,1126 29.421,1127 2.996,1128 18.094,1129 23.093,1130 0.264,1131 36.864,1132 17.156,1133 19107,1134 31627,1135 28.433,1136 43.182,1137 62.255,1138 62.628,1139 62.921,1140 62.194,1141 61.99,1142 78.629,1143 5.498,1144 179.248,1145 57.692,1146 5.694,1147 5.38,1148 6.705,1149 5.328,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.078,1155 12.061,1156 1.518,1157 1.528,1158 1.535,1159 1.517,1160 1.512,1161 1.918,1162 0.134,1163 4.372,1164 1.407,1165 4.139,1166 4.192,1167 4.116,1168 3.967,1169 6.471,1170 3.997,1171 3.933,1172 3.97,1173 3.995,1174 3.863,1175 5.141,1176 3.859,1177 3.853,1178 3.891,1179 3.807,1180 3.731,1181 4.939,1182 3.743,1183 3.778,1184 3.831,1185 3.695,1186 3.612,1187 4.787,1188 3.619,1189 3.688,1190 3.746,1191 3.596,1192 3.48,1193 4.62,1194 3.496,1195 3.303,1196 3.368,1197 3.373,1198 3.112,1199 4.464,1200 3.123,1201 3.147,1202 3.209,1203 3.198,1204 2.983,1205 4.377,1206 2.995,1207 3.111,1208 3.206,1209 2.936,1210 2.941,1211 4.2,1212 2.91,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.225,1225 0.075,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.078,1231 1.938,1232 1.901,1233 2.076,1234 2.104,1235 1.432,1236 2.092,1237 1.902,1238 1.871,1239 1.983,1240 2.038,1241 1.212,1242 2.029,1243 1.809,1244 1.762,1245 1.952,1246 1.941,1247 1.142,1248 1.952,1249 1.735,1250 1.687,1251 1.895,1252 1.932,1253 0.983,1254 1.924,1255 1.553,1256 1.504,1257 1.658,1258 1.763,1259 0.825,1260 1.739,1261 1.347,1262 1.274,1263 1.513,1264 1.609,1265 0.825,1266 1.584,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.812,1272 1.429,1273 1.153,1274 1.064,1275 1.511,1276 1.376,1277 0.687,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.284,1284 4.727,1285 8.903,1286 6.862,1287 10.569,1290 6.039,1294 9.994,1295 7.752,1297 5.558,1299 0.305,1300 4.691,1305 41.202,1306 105.531,1307 245.68,1308 316.39,1309 334,1310 334,1311 334,1312 52.852,1313 8.771,1314 92.43,1315 92.43,1316 35,1317 12.962,1318 4.524,1319 3.585,1320 48.956,1321 163,1322 213,1323 0.141,1324 250.422,1325 423.99,1326 602.791,1327 86365,1328 1.6,1329 24.485,1330 0.68,1331 0.574,1332 24.985,1333 20.68,1334 17.636,1335 0.43,1336 0.31,1337 12.15,1338 16.571,1339 11.929,1340 9.736,1341 17.925,1342 12.701,1343 16.037,1344 0.276,1345 0.169,1346 16.445,1347 9.796,1348 13.831,1349 0.175,1350 0.091,1351 14.12,1352 7.218,1353 11.854,1354 0.11,1355 0.048,1356 12.021,1357 5.173,1358 10.257,1359 0.07,1360 0.026,1361 10.493,1362 3.845,1363 0.223,1364 114.065,1365 0.188,1366 32.925,1367 0.388,1368 198,1369 553.604,1370 233.183,1371 562.799,1372 771.3,1373 530,1374 236,1375 553.191,1376 268.173,1377 568.287,1378 839.66,1379 535,1380 7.796}
{0 CHEMBL591101,1 1.592,2 10.813,3 0.607,4 0.368,5 119.133,6 7.276,7 0.444,8 4.21,9 4.334,10 3.766,11 3.68,12 5.251,13 3.677,14 4.802,15 4.992,16 4.138,17 4.097,18 5.799,19 4.073,20 5.051,21 5.273,22 4.216,23 4.271,24 6.01,25 4.211,26 5.118,27 5.352,28 4.199,29 4.304,30 6.078,31 4.225,32 5.127,33 5.378,34 4.19,35 4.275,36 6.068,37 4.202,38 5.037,39 5.27,40 4.196,41 4.231,42 6.04,43 4.178,44 4.973,45 5.174,46 4.169,47 4.255,48 5.942,49 4.194,50 5.096,51 5.317,52 4.124,53 4.328,54 6.051,55 4.219,56 0.049,57 0.939,58 13.033,59 5.099,60 9.287,61 7.127,62 0.456,63 1.527,64 26.481,65 8.364,66 31.289,67 12.125,68 0.548,69 1.85,70 35.091,71 10.934,72 47.713,73 16.319,74 0.531,75 1.937,76 37.811,77 11.916,78 55.055,79 17.889,80 0.541,81 1.922,82 38.94,83 11.195,84 62.36,85 17.664,86 0.719,87 1.847,88 34.937,89 9.35,90 59.709,91 14.899,92 0.418,93 1.775,94 31.139,95 10.115,96 32.118,97 15.069,98 0.555,99 1.858,100 36.241,101 13.197,102 52.709,103 18.967,104 14,105 51,106 0.257,107 0.587,108 0.785,109 0.828,110 0.828,111 0.828,112 3.503,113 0.931,114 -4.04,115 -3.99,116 -3.78,119 38.3,120 1,121 2,125 7,127 1,142 4,143 2,146 1,147 1,149 1,158 1,160 1,161 1,172 6,174 5,175 8,180 1,183 7,186 4,187 4,192 2,195 3,198 4,199 12,204 2,207 2,211 1,212 7,217 1,223 4,224 11,227 2,232 2,236 2,237 5,245 4,249 4,250 6,253 2,258 4,263 6,266 1,271 2,275 1812,276 22.093,277 22.093,278 22.093,279 22.093,280 22.093,281 20.177,282 28.962,283 12.951,284 22.714,285 17.73,286 17.73,287 17.73,288 17.73,289 17.73,290 14.645,291 37.543,292 6.069,293 18.755,294 4.315,295 2.275,296 1.046,297 0.779,298 0.779,299 0.779,300 4.213,304 1,305 1,306 757,307 3,310 69.119,311 358.796,314 124.764,318 1.586,319 32.559,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 70,331 346,332 4.694,333 3.669,334 6.903,335 4.226,336 3.289,337 4.638,338 1.94,339 11.617,340 3.08,341 4.201,342 3.378,343 6.331,344 3.841,345 2.886,346 3.821,347 0.86,348 9.605,349 2.779,350 4.005,351 3.027,352 6.131,353 3.752,354 2.787,355 3.359,356 0.8,357 9.04,358 2.673,359 3.869,360 2.912,361 5.918,362 3.615,363 2.677,364 3.041,365 0.765,366 8.169,367 2.505,368 3.649,369 2.602,370 5.557,371 3.302,372 2.338,373 3.027,374 0.555,375 7.089,376 2.251,377 3.398,378 2.453,379 5.281,380 3.18,381 2.217,382 2.492,384 6.681,385 2.126,386 2.987,387 2.291,388 4.781,389 2.706,390 1.778,391 2.178,393 4.9,394 1.643,395 2.966,396 2.068,397 4.386,398 2.472,399 1.518,400 2.042,402 4.173,403 1.445,404 2.693,405 1.612,406 4.147,407 2.332,408 1.38,409 1.757,411 3.421,412 1.3,413 2.624,414 1.528,415 3.763,416 2.168,417 1.227,418 1.635,420 2.926,421 1.154,422 2.449,423 1.256,424 3.706,425 2.062,426 1.124,427 1.426,428 2.656,429 1.039,430 2.305,431 1.219,432 3.487,433 1.984,434 1,435 1.251,436 2.524,437 0.983,438 2,439 1.077,440 3.414,441 1.952,442 1,443 1,445 2.275,446 0.946,447 2,448 1.055,449 3.412,450 1.95,451 1,452 1,454 2.136,455 0.946,456 1.979,457 0.935,458 3.247,459 1.562,460 0.648,461 0.835,463 1.793,464 0.59,465 14.9,466 0.466,467 0.709,468 0.022,469 38.75,470 1.211,471 16,472 0.5,473 22.75,474 0.711,475 30.743,476 0.961,477 35.5,478 0.592,479 30.459,480 0.952,481 7.489,482 0.234,483 8.146,484 0.255,485 0.078,487 0.349,493 0.854,494 1.649,495 0.788,496 1.268,497 0.705,498 1.054,499 1.064,500 1.074,501 0.925,502 0.913,503 0.717,504 0.893,505 0.973,506 1.078,507 0.967,508 0.963,509 0.807,510 0.959,511 0.897,512 1.096,513 0.995,514 1.038,515 1.041,516 1.029,517 0.92,518 1.119,519 0.921,520 0.922,521 0.96,522 0.907,523 0.963,524 0.959,525 1.057,526 0.845,527 0.718,528 0.919,529 0.904,530 1.17,531 1.112,532 1.136,533 0.626,534 1.135,535 0.657,536 1.033,537 1.079,538 1.215,539 0.641,540 1.221,541 5.5,542 0.218,543 3.778,544 1.785,545 1.605,546 1.393,547 0.856,548 0.509,549 0.341,550 0.275,551 13353,552 34291,553 2.154,554 46.7,556 19,558 1,559 1,560 3,562 4,564 1.752,565 2.043,566 3.383,567 -0.31,569 1,573 95.501,574 1.592,575 3.632,576 4.861,577 5.128,578 5.128,579 5.128,580 2.88,581 4.563,582 4.966,583 3.563,584 1767.42,585 8.734,586 24961.6,588 1,591 354.413,592 1.317,593 4.943,594 0.153,595 0.008,596 0.074,597 0.033,598 0.031,599 0.027,600 0.016,601 0.01,602 0.007,603 0.008,604 0.367,605 0.33,606 0.88,607 0.726,608 165.168,609 -0.049,610 -0.381,611 0.075,612 -0.14,613 -0.037,614 -0.034,615 -0.039,616 0.083,617 0.024,618 0.087,619 0.001,620 0.064,621 -0.052,622 0.002,623 -0.01,624 0.028,625 -0.006,626 0.015,627 -0.046,628 -0.041,629 -0.04,630 -0.049,631 -0.097,632 -0.047,633 -0.069,634 -0.088,635 0.051,636 0.038,637 -0.098,638 0.064,639 -0.03,640 0.177,641 -0.087,642 0.077,643 -0.024,644 0.006,645 -0.087,646 -0.012,647 -0.191,648 -0.123,649 -0.04,650 -0.158,651 0.1,652 0.017,653 -0.155,654 -0.165,655 0.075,656 -0.2,657 1.54,658 4.731,659 0.844,660 33.016,661 1.005,662 1.136,663 2.807,664 7.881,665 0.646,666 3.611,667 3.951,668 4.277,669 4.575,670 4.868,671 5.05,672 5.298,673 5.485,674 5.652,675 5.805,676 6.543,677 0.618,678 436.57,679 3.611,680 5.165,681 6.038,682 6.93,683 7.824,684 8.728,685 9.632,686 10.542,687 11.453,688 12.368,689 10,695 1,696 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 60,733 17,734 1,735 36,737 64,738 23,739 11,740 2,741 4,746 5,747 6,752 2,755 3,758 3,761 12,762 11,766 1,771 1,775 1,778 1,781 28,782 8,783 1,784 9,787 1,790 6,794 0.8,795 3,796 1,806 1,811 1,812 4,815 1,827 1,838 1,839 1,840 4,844 1,848 32,853 1,854 9,856 1,858 1,859 2,870 5,871 1,873 1,874 1,877 15.667,878 10.983,879 7.028,880 3.76,881 3.062,882 1.372,883 0.973,884 6.092,885 11.301,886 3.829,887 4.416,888 5.035,889 5.661,890 6.241,891 6.694,892 7.225,893 7.698,894 8.065,895 8.454,896 1,897 54,898 11.889,900 5.127,901 7.688,902 23.053,904 19.46,905 2.188,906 70,910 317.82,911 97.617,912 58.504,914 78.828,917 97.617,918 396.648,919 58.504,920 8.825,921 25.801,922 80.588,923 113.311,924 15.867,925 2.328,926 306.049,928 317.82,929 156.121,930 78.828,933 273.063,934 72.229,935 53.683,937 49.003,938 54.433,939 50.357,941 317.82,942 137.332,943 97.617,946 317.82,947 42.268,948 63.497,950 129.185,951 317.82,952 137.332,953 97.617,955 0.581,956 0.348,957 0.188,958 0.106,959 26,960 11,961 0.063,962 4,963 1,964 1.074,965 4.225,966 313.335,967 0.074,968 27,969 152,974 21.32,975 9.143,976 4.26,977 1.607,978 135.433,979 9.562,980 14.574,984 3.135,985 2.151,986 42.683,987 552.769,988 45,993 11.731,997 0.127,999 60.312,1000 68.185,1001 0.269,1002 0.615,1003 0.823,1004 0.868,1005 0.868,1006 0.868,1007 5.088,1008 1.518,1009 6.023,1010 4.9,1011 4.635,1012 5.103,1013 2.425,1014 6.864,1015 4.528,1016 6.277,1017 1.38,1018 7.597,1019 4.173,1020 4.205,1021 4.934,1022 1.738,1023 7.82,1024 4.06,1025 7.586,1026 1.227,1027 9.273,1028 3.421,1029 6.252,1030 7.302,1031 3.076,1032 10.948,1033 6.039,1034 8.933,1035 1.124,1036 11.01,1037 2.926,1038 6.673,1039 8.028,1040 3.144,1041 12.75,1042 6.411,1043 10.317,1044 1,1045 12.786,1046 2.656,1047 8.167,1048 9.873,1049 4.155,1050 15.394,1051 7.845,1052 11.728,1053 1,1054 14.589,1055 2.524,1056 8.974,1057 11.016,1058 4.541,1059 17.544,1060 8.593,1061 13.159,1062 1,1063 16.412,1064 2.275,1065 10.25,1066 12.659,1067 5.386,1068 20.035,1069 9.81,1070 3.289,1071 0.648,1072 18.248,1073 2.136,1074 11.24,1075 14.005,1076 5.912,1077 22.339,1078 10.735,1079 2.886,1080 11.617,1081 20.097,1082 1.793,1083 12.432,1084 15.57,1085 6.671,1086 24.784,1087 11.867,1088 2.787,1089 9.605,1090 21.954,1091 4.638,1092 13.51,1093 17.012,1094 7.263,1095 27.16,1096 12.878,1097 2.677,1098 9.04,1099 23.819,1100 3.821,1101 14.675,1102 18.549,1103 7.976,1104 29.594,1105 13.979,1106 2.338,1107 8.169,1108 25.691,1109 3.359,1110 15.797,1111 20.037,1112 8.602,1113 32.005,1114 15.032,1115 2.217,1116 7.089,1117 27.569,1118 3.041,1119 16.956,1120 21.566,1121 9.292,1122 34.441,1123 16.126,1124 1.778,1125 6.681,1126 29.452,1127 3.027,1128 18.102,1129 23.075,1130 9.936,1131 36.869,1132 17.203,1133 12586,1134 20276,1135 24.561,1136 38.773,1137 54.804,1138 55.772,1139 55.93,1140 54.537,1141 54.595,1142 67.964,1143 9.841,1144 159.253,1145 51.673,1146 5.694,1147 5.669,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 3.348,1153 19.166,1154 5.08,1155 13.506,1156 1.522,1157 1.549,1158 1.554,1159 1.515,1160 1.517,1161 1.888,1162 0.273,1163 4.424,1164 1.435,1165 4.139,1166 4.191,1167 4.115,1168 3.978,1169 7.428,1170 4.004,1171 3.904,1172 3.94,1173 3.84,1174 3.818,1175 6.457,1176 3.822,1177 3.819,1178 3.873,1179 3.726,1180 3.645,1181 5.139,1182 3.656,1183 3.72,1184 3.778,1185 3.61,1186 3.491,1187 4.713,1188 3.511,1189 3.448,1190 3.497,1191 3.348,1192 3.242,1193 4.618,1194 3.257,1195 3.293,1196 3.348,1197 3.189,1198 3.099,1199 4.431,1200 3.112,1201 3.157,1202 3.22,1203 3.027,1204 2.941,1205 4.238,1206 2.95,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.015,1212 2.91,1213 0.13,1214 0.102,1215 0.192,1216 0.117,1217 0.091,1218 4.694,1219 0.129,1220 3.669,1221 0.054,1222 6.903,1223 0.323,1224 4.226,1225 0.086,1226 3.289,1227 4.638,1228 1.94,1229 11.617,1230 3.08,1231 1.96,1232 1.93,1233 2.06,1234 2.104,1235 1.418,1236 2.089,1237 1.862,1238 1.81,1239 2.029,1240 2.027,1241 1.215,1242 2.027,1243 1.767,1244 1.717,1245 1.931,1246 1.958,1247 1.153,1248 1.957,1249 1.577,1250 1.527,1251 1.716,1252 1.801,1253 0.853,1254 1.778,1255 1.438,1256 1.382,1257 1.659,1258 1.687,1259 0.825,1260 1.674,1261 1.243,1262 1.168,1263 1.513,1264 1.508,1265 0.825,1266 1.505,1267 1.19,1268 1.138,1269 1.513,1270 1.449,1271 0.733,1272 1.448,1273 1.153,1274 1.064,1275 1.455,1276 1.376,1277 0.592,1278 1.429,1279 4.29,1281 5.624,1282 2.398,1283 7.163,1284 4.727,1285 8.792,1286 6.862,1287 10.469,1289 1.627,1294 9.576,1295 6.029,1297 5.538,1299 0.236,1300 4.109,1305 37.068,1306 95.501,1307 217.941,1308 291.659,1309 307.659,1310 307.659,1311 307.659,1312 52.446,1313 8.239,1314 96.61,1315 96.61,1316 29,1317 12.881,1318 4.17,1319 3.322,1320 45.329,1321 122,1322 139,1323 0.18,1324 223.763,1325 383.21,1326 537.741,1327 41368,1329 22.079,1330 0.69,1331 0.571,1332 22.079,1333 18.275,1334 15.635,1335 0.434,1336 0.31,1337 10.965,1338 14.86,1339 10.757,1340 8.792,1341 15.635,1342 11.167,1343 13.982,1344 0.274,1345 0.165,1346 13.982,1347 8.39,1348 12.321,1349 0.174,1350 0.09,1351 12.321,1352 6.385,1353 10.428,1354 0.109,1355 0.048,1356 10.428,1357 4.561,1358 8.743,1359 0.068,1360 0.025,1361 8.743,1362 3.209,1363 0.275,1364 99.055,1365 0.202,1366 29.367,1367 0.516,1368 174,1369 503.491,1370 194.159,1371 475.981,1372 656.36,1373 450,1374 209,1375 483.041,1376 230.856,1377 484.477,1378 720.11,1379 457,1380 6.724}
{0 CHEMBL591337,1 1.535,2 13.194,3 2.209,4 4.879,5 136.946,6 7.249,7 0.537,8 4.32,9 4.446,10 3.881,11 3.82,12 5.343,13 3.809,14 4.901,15 5.09,16 4.235,17 4.234,18 5.864,19 4.201,20 5.156,21 5.385,22 4.3,23 4.4,24 6.051,25 4.322,26 5.228,27 5.481,28 4.277,29 4.416,30 6.088,31 4.321,32 5.214,33 5.465,34 4.314,35 4.408,36 6.11,37 4.333,38 5.18,39 5.407,40 4.315,41 4.416,42 6.142,43 4.348,44 5.174,45 5.395,46 4.254,47 4.437,48 6.049,49 4.34,50 5.246,51 5.493,52 4.19,53 4.452,54 6.06,55 4.326,56 0.021,57 1.061,58 14.518,59 5.758,60 10,61 7.993,62 0.382,63 1.745,64 28.894,65 9.378,66 30.079,67 13.428,68 0.473,69 2.125,70 38.613,71 12.731,72 42.172,73 18.883,74 0.445,75 2.216,76 42.403,77 13.739,78 43.794,79 20.811,80 0.443,81 2.213,82 41.834,83 12.534,84 49.652,85 19.513,86 0.652,87 2.209,88 39.599,89 11.429,90 59.694,91 17.541,92 0.404,93 2.148,94 38.615,95 13.427,96 38.561,97 19.732,98 0.481,99 2.176,100 42.932,101 15.269,102 42.765,103 22.381,104 3,105 57,106 0.241,107 0.576,108 0.779,109 0.844,110 0.849,111 0.849,112 3.616,113 0.928,114 -4.31,115 -4.24,116 -4,119 40.3,121 2,125 8,127 1,142 7,143 2,145 1,146 2,147 1,149 1,160 1,161 1,172 8,174 4,175 8,180 1,183 8,186 5,187 6,192 2,195 3,198 4,199 11,204 2,211 1,212 10,217 1,220 2,223 3,224 10,227 2,232 4,236 3,237 6,245 6,249 2,250 5,253 2,258 4,262 2,263 9,266 1,271 2,275 2654,276 25.317,277 25.317,278 25.317,279 25.317,280 25.317,281 22.832,282 31.723,283 15.127,284 26.034,285 20.262,286 20.262,287 20.262,288 20.262,289 20.262,290 16.429,291 43.484,292 7.185,293 21.448,294 4.532,295 2.394,296 1.099,297 0.687,298 0.657,299 0.657,300 4.339,305 1,306 1063,307 2.739,310 80.476,311 541.201,314 145.986,318 2.028,319 28.28,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 77.5,331 475,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.08,341 4.2,342 3.077,343 6.33,344 3.831,345 2.874,346 3.821,347 0.86,348 9.6,349 2.775,350 3.997,351 2.949,352 6.131,353 3.735,354 2.779,355 3.457,356 0.8,357 9.04,358 2.637,359 3.929,360 2.909,361 5.637,362 3.588,363 2.649,364 3.357,365 0.765,366 7.742,367 2.489,368 3.649,369 2.594,370 5.517,371 3.33,372 2.377,373 3.032,374 0.172,375 7.132,376 2.262,377 3.521,378 2.468,379 5.281,380 3.258,381 2.291,382 2.605,384 6.687,385 2.206,386 3.256,387 2.354,388 5.044,389 3.027,390 2.094,391 2.345,393 6.051,394 1.947,395 2.974,396 2.12,397 4.745,398 2.651,399 1.734,400 2.178,402 4.819,403 1.587,404 2.937,405 1.615,406 4.385,407 2.472,408 1.518,409 2.044,411 4.172,412 1.445,413 2.818,414 1.576,415 4.082,416 2.405,417 1.427,418 1.913,420 3.225,421 1.392,422 2.659,423 1.487,424 3.76,425 2.17,426 1.26,427 1.727,428 2.993,429 1.154,430 2.5,431 1.256,432 3.587,433 2.127,434 1.185,435 1.5,436 2.901,437 1.098,438 2.489,439 1.22,440 3.487,441 1.984,442 1.038,443 1.484,445 2.546,446 0.983,447 2.381,448 1.077,449 3.414,450 1.979,451 1,452 1.369,454 2.275,455 0.973,456 2.004,457 1.061,458 3.414,459 1.958,460 1,461 1,463 2.136,464 0.956,465 16.967,466 0.471,467 0.65,468 0.018,469 46,470 1.278,471 20.5,472 0.569,473 25.5,474 0.708,475 33.847,476 0.94,477 38.833,478 0.58,479 35.727,480 0.992,481 8.921,482 0.248,483 8.86,484 0.246,485 0.02,487 0.306,493 0.926,494 1.569,495 0.794,496 1.204,497 0.861,498 1.016,499 1.274,500 1.089,501 0.995,502 0.927,503 0.948,504 0.92,505 0.902,506 1.084,507 0.975,508 1.005,509 0.629,510 0.998,511 0.8,512 1.062,513 0.927,514 0.989,515 0.855,516 0.971,517 0.953,518 1.097,519 0.924,520 0.906,521 0.935,522 0.892,523 1.147,524 0.982,525 1.171,526 0.931,527 0.989,528 1.01,529 0.845,530 1.142,531 1.127,532 1.186,533 0.752,534 1.186,535 0.728,536 0.973,537 1.046,538 1.102,539 0.68,540 1.114,541 5.5,542 0.164,543 3.333,544 1.722,545 1.716,546 1.282,547 0.893,548 0.536,549 0.34,550 0.27,551 20606,552 48740,553 2.221,554 46.3,556 24,558 2,559 1,562 4,564 1.778,565 2.16,566 3.633,567 -0.355,573 102.814,574 1.535,575 3.672,576 4.967,577 5.38,578 5.409,579 5.409,580 3.084,581 4.705,582 5.134,583 3.831,584 2413.6,585 9.052,586 37918.3,591 406.428,592 1.056,593 5.134,594 0.134,595 0.005,596 0.058,597 0.029,598 0.03,599 0.021,600 0.015,601 0.01,602 0.007,603 0.006,604 0.316,605 0.17,606 0.75,607 0.431,608 195.302,609 -0.034,610 -0.345,611 0.082,612 -0.121,613 -0.019,614 -0.024,615 -0.111,616 0.058,617 -0.037,618 0.054,619 -0.06,620 0.02,621 0.017,622 -0.022,623 -0.013,624 -0.023,625 0.077,626 -0.027,627 0.023,628 -0.042,629 0.044,630 -0.015,631 -0.012,632 0.011,633 -0.059,634 -0.05,635 0.055,636 0.045,637 -0.069,638 0.069,639 -0.102,640 0.15,641 -0.197,642 -0.003,643 -0.092,644 -0.089,645 -0.02,646 -0.07,647 -0.188,648 -0.18,649 -0.077,650 -0.2,651 0.048,652 0.02,653 -0.091,654 -0.089,655 0.017,656 -0.105,657 1.512,658 3.65,659 0.917,660 44.898,661 1,662 1.133,663 3.076,664 9.462,665 0.658,666 3.738,667 4.06,668 4.382,669 4.691,670 4.984,671 5.124,672 5.375,673 5.587,674 5.759,675 5.914,676 7.668,677 0.625,678 485.65,679 3.738,680 5.283,681 6.151,682 7.036,683 7.923,684 8.819,685 9.716,686 10.621,687 11.525,688 12.435,689 10.4,692 1,695 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 67,733 22,734 1,735 41,737 72,738 27,739 16,740 2,741 4,746 6,747 7,752 1,755 3,758 3,761 16,762 11,781 31,782 8,783 1,784 9,787 1,790 7,794 0.833,795 2,796 1,805 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,848 36,853 1,854 10,856 1,858 1,859 2,870 3,871 1,874 1,877 16.667,878 11.85,879 7.917,880 4.176,881 3.772,882 1.431,883 0.996,884 6.82,885 12.524,886 3.97,887 4.557,888 5.178,889 5.802,890 6.374,891 6.749,892 7.264,893 7.733,894 8.096,895 8.483,896 0.889,897 59,898 13.348,900 5.732,901 7.542,902 26.191,904 22.185,905 2.042,906 73.5,910 353.133,911 126.425,912 75.29,914 53.683,917 126.425,918 406.816,919 75.29,921 24.782,922 109.017,923 112.018,924 30.795,925 2.328,926 329.591,928 353.133,929 201.715,930 53.683,933 308.377,934 47.084,935 53.683,937 54.088,938 78.157,939 67.142,941 353.133,942 128.973,943 126.425,946 353.133,947 42.426,948 92.147,950 120.825,951 353.133,952 128.973,953 126.425,955 0.574,956 0.341,957 0.192,958 0.109,959 29,960 11,961 0.083,962 6,963 1,964 1.061,965 4.702,966 365.852,967 0.061,968 33,969 178.117,974 23.353,975 10.514,976 4.973,977 1.717,978 127.074,979 17.711,980 19.299,984 4.378,985 2.248,986 42.683,987 608.531,988 52,999 66.97,1000 75.889,1001 0.253,1002 0.605,1003 0.819,1004 0.887,1005 0.892,1006 0.892,1007 5.212,1008 1.734,1009 6.116,1010 6.051,1011 4.745,1012 5.244,1013 1.81,1014 6.932,1015 4.635,1016 6.389,1017 1.518,1018 7.667,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.825,1024 4.041,1025 7.684,1026 1.427,1027 9.321,1028 4.172,1029 6.333,1030 7.43,1031 1.434,1032 10.968,1033 6.117,1034 9.016,1035 1.26,1036 11.039,1037 3.225,1038 6.673,1039 8.055,1040 0.581,1041 12.741,1042 6.395,1043 10.388,1044 1.185,1045 12.799,1046 2.993,1047 8.214,1048 9.97,1049 1.158,1050 15.391,1051 7.886,1052 11.787,1053 1.038,1054 14.589,1055 2.901,1056 8.971,1057 11.047,1058 0.515,1059 17.532,1060 8.576,1061 13.209,1062 1,1063 16.401,1064 2.546,1065 10.269,1066 12.726,1067 0.936,1068 20.025,1069 9.823,1070 3.289,1071 1,1072 18.23,1073 2.275,1074 11.232,1075 14.031,1076 0.441,1077 22.329,1078 10.716,1079 2.874,1080 11.617,1081 20.073,1082 2.136,1083 12.434,1084 15.612,1085 0.756,1086 24.775,1087 11.862,1088 2.779,1089 9.6,1090 21.927,1091 4.638,1092 13.499,1093 17.031,1094 0.373,1095 27.152,1096 12.857,1097 2.649,1098 9.04,1099 23.79,1100 3.821,1101 14.668,1102 18.574,1103 0.609,1104 29.588,1105 13.965,1106 2.377,1107 7.742,1108 25.661,1109 3.457,1110 15.784,1111 20.05,1112 0.314,1113 32,1114 15.011,1115 2.291,1116 7.132,1117 27.538,1118 3.357,1119 16.946,1120 21.58,1121 0.49,1122 34.437,1123 16.108,1124 2.094,1125 6.687,1126 29.422,1127 3.032,1128 18.089,1129 23.084,1130 0.264,1131 36.866,1132 17.181,1133 18831,1134 29108,1135 28.72,1136 44.086,1137 61.524,1138 62.056,1139 62.079,1140 61.411,1141 61.417,1142 77.843,1143 7.027,1144 175.525,1145 58.004,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.08,1155 8.454,1156 1.501,1157 1.514,1158 1.514,1159 1.498,1160 1.498,1161 1.899,1162 0.171,1163 4.281,1164 1.415,1165 4.142,1166 4.194,1167 4.116,1168 3.981,1169 6.457,1170 4.006,1171 3.915,1172 3.962,1173 3.844,1174 3.823,1175 5.14,1176 3.825,1177 3.887,1178 3.923,1179 3.826,1180 3.772,1181 4.888,1182 3.781,1183 3.778,1184 3.834,1185 3.672,1186 3.614,1187 4.713,1188 3.618,1189 3.687,1190 3.747,1191 3.573,1192 3.48,1193 4.618,1194 3.496,1195 3.337,1196 3.398,1197 3.261,1198 3.136,1199 4.432,1200 3.156,1201 3.217,1202 3.276,1203 3.079,1204 3.039,1205 4.266,1206 3.037,1207 3.113,1208 3.206,1209 2.98,1210 2.941,1211 4.021,1212 2.93,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.225,1225 0.075,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.08,1231 1.961,1232 1.931,1233 2.071,1234 2.107,1235 1.43,1236 2.094,1237 1.89,1238 1.841,1239 2.036,1240 2.043,1241 1.215,1242 2.041,1243 1.812,1244 1.769,1245 1.946,1246 1.959,1247 1.154,1248 1.959,1249 1.757,1250 1.704,1251 1.928,1252 1.94,1253 1.044,1254 1.942,1255 1.569,1256 1.519,1257 1.689,1258 1.781,1259 0.84,1260 1.762,1261 1.349,1262 1.274,1263 1.53,1264 1.613,1265 0.825,1266 1.589,1267 1.194,1268 1.147,1269 1.513,1270 1.451,1271 0.825,1272 1.45,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.706,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.268,1284 4.727,1285 8.885,1286 6.862,1287 10.551,1294 9.65,1295 7.86,1297 5.584,1299 0.332,1300 4.72,1305 41.901,1306 102.814,1307 246.009,1308 332.776,1309 360.428,1310 362.428,1311 362.428,1312 50.672,1313 8.752,1314 92.43,1315 92.43,1316 35,1317 12.952,1318 4.524,1319 3.585,1320 48.862,1321 159,1322 199,1323 0.144,1324 251.682,1325 426.08,1326 605.864,1327 83807,1329 24.321,1330 0.676,1331 0.565,1332 24.321,1333 20.331,1334 17.78,1335 0.434,1336 0.309,1337 12.472,1338 17.012,1339 12.271,1340 10.042,1341 17.78,1342 12.68,1343 15.584,1344 0.273,1345 0.166,1346 15.584,1347 9.481,1348 13.844,1349 0.175,1350 0.09,1351 13.844,1352 7.144,1353 11.934,1354 0.111,1355 0.048,1356 11.934,1357 5.179,1358 10.199,1359 0.07,1360 0.026,1361 10.199,1362 3.748,1363 0.226,1364 111.839,1365 0.187,1366 32.848,1367 0.399,1368 196,1369 523.401,1370 215.332,1371 502.789,1372 704.07,1373 478,1374 234,1375 525.166,1376 256.054,1377 530.936,1378 787.67,1379 501,1380 7.187}
{0 CHEMBL591338,1 1.592,2 13.946,3 3.136,4 9.837,5 139.691,6 7.392,7 0.524,8 4.335,9 4.457,10 3.906,11 3.843,12 5.382,13 3.834,14 4.918,15 5.102,16 4.273,17 4.261,18 5.927,19 4.232,20 5.183,21 5.405,22 4.341,23 4.427,24 6.139,25 4.355,26 5.262,27 5.517,28 4.299,29 4.439,30 6.153,31 4.346,32 5.227,33 5.474,34 4.331,35 4.434,36 6.124,37 4.355,38 5.214,39 5.441,40 4.341,41 4.442,42 6.202,43 4.371,44 5.203,45 5.426,46 4.295,47 4.452,48 6.097,49 4.36,50 5.27,51 5.513,52 4.239,53 4.462,54 6.163,55 4.351,56 0.042,57 1.117,58 14.288,59 6.082,60 10.076,61 8.079,62 0.41,63 1.845,64 28.839,65 10.011,66 32.991,67 13.672,68 0.512,69 2.28,70 39.426,71 13.634,72 52.223,73 19.306,74 0.565,75 2.333,76 44.244,77 14.515,78 56.142,79 21.375,80 0.47,81 2.258,82 41.977,83 13.387,84 51.004,85 20.264,86 0.779,87 2.332,88 40.918,89 12.415,90 68.361,91 18.357,92 0.433,93 2.258,94 39.622,95 13.971,96 40.551,97 20.16,98 0.642,99 2.365,100 44.423,101 15.685,102 60.783,103 21.929,104 6,105 59,106 0.249,107 0.576,108 0.762,109 0.826,110 0.833,111 0.833,112 3.642,113 0.923,114 -5.61,115 -5.48,116 -5.11,119 41.2,121 2,125 8,127 1,142 8,143 3,144 1,146 1,147 1,149 1,160 1,161 1,172 10,174 4,175 7,180 1,183 11,186 4,187 6,192 2,195 5,198 4,199 12,204 2,207 2,211 1,212 7,217 1,220 4,223 3,224 11,227 2,232 6,236 2,237 7,245 4,249 2,250 8,253 2,258 4,263 10,266 1,271 2,275 2876,276 25.764,277 25.764,278 25.764,279 25.764,280 25.764,281 23.255,282 33.35,283 15.213,284 26.477,285 20.728,286 20.728,287 20.728,288 20.728,289 20.728,290 16.833,291 44.146,292 7.22,293 21.934,294 4.496,295 2.405,296 1.217,297 0.805,298 0.765,299 0.765,300 4.363,306 1151,307 2.828,310 84.155,311 563.077,314 152.729,318 2.118,319 35.262,322 0.5,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.72,330 80.5,331 516,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.08,341 4.2,342 3.086,343 6.33,344 3.832,345 2.875,346 3.821,347 0.86,348 9.6,349 2.776,350 4.035,351 2.987,352 6.131,353 3.739,354 2.78,355 3.62,356 0.8,357 9.04,358 2.656,359 3.986,360 2.912,361 5.644,362 3.643,363 2.685,364 3.358,365 0.765,366 7.779,367 2.57,368 3.65,369 2.834,370 5.532,371 3.38,372 2.44,373 3.032,374 0.172,375 7.159,376 2.283,377 3.596,378 2.582,379 5.281,380 3.282,381 2.318,382 2.778,384 6.69,385 2.232,386 3.402,387 2.432,388 5.156,389 3.129,390 2.186,391 2.549,393 6.371,394 2.046,395 3.169,396 2.304,397 4.837,398 2.881,399 1.941,400 2.252,402 5.469,403 1.809,404 2.972,405 2.106,406 4.724,407 2.627,408 1.713,409 2.178,411 4.8,412 1.561,413 2.893,414 1.613,415 4.385,416 2.472,417 1.518,418 1.961,420 4.171,421 1.445,422 2.66,423 1.543,424 4.079,425 2.17,426 1.266,427 1.729,428 3.176,429 1.154,430 2.5,431 1.256,432 3.759,433 2.133,434 1.189,435 1.5,436 2.908,437 1.103,438 2.492,439 1.223,440 3.487,441 2,442 1.04,443 1.488,445 2.546,446 1,447 2.384,448 1.077,449 3.414,450 1.984,451 1,452 1.371,454 2.275,455 0.983,456 2.005,457 1.069,458 3.414,459 1.981,460 1,461 1,463 2.275,464 0.974,465 17.352,466 0.469,467 0.756,468 0.02,469 46.25,470 1.25,471 20.5,472 0.554,473 25.75,474 0.696,475 35.59,476 0.962,477 40.248,478 0.592,479 37.106,480 1.003,481 9.04,482 0.244,483 9.135,484 0.247,485 0.036,487 0.328,491 1,493 0.786,494 1.373,495 0.765,496 1.172,497 0.665,498 1.003,499 1.046,500 1.008,501 0.952,502 0.926,503 0.698,504 0.917,505 0.874,506 1.094,507 0.975,508 1.043,509 0.688,510 1.029,511 0.754,512 0.944,513 0.927,514 0.951,515 0.724,516 0.959,517 0.695,518 0.973,519 0.877,520 0.926,521 0.551,522 0.917,523 0.929,524 0.887,525 1.138,526 0.94,527 0.783,528 1.029,529 0.72,530 1.068,531 1.055,532 1.156,533 0.567,534 1.154,535 0.909,536 0.958,537 1.096,538 1.062,539 0.939,540 1.1,541 6.5,542 0.188,543 3.778,544 1.785,545 1.907,546 1.337,547 0.975,548 0.598,549 0.353,550 0.297,551 22309,552 57529,553 2.197,554 45.6,556 25,558 1,559 1,562 4,564 1.784,565 2.114,566 3.696,567 -0.365,573 108.252,574 1.592,575 3.683,576 4.87,577 5.282,578 5.323,579 5.323,580 3.195,581 4.757,582 5.173,583 3.897,584 2595.13,585 9.125,586 41820.5,591 413.947,592 1.181,593 5.165,594 0.155,595 0.005,596 0.064,597 0.029,598 0.033,599 0.022,600 0.016,601 0.01,602 0.007,603 0.006,604 0.348,605 0.17,606 0.63,607 0.509,608 203.035,609 -0.037,610 -0.255,611 0.071,612 -0.096,613 -0.029,614 -0.014,615 -0.089,616 0.045,617 -0.029,618 0.055,619 -0.008,620 0.026,621 -0.017,622 -0.078,623 -0.03,624 -0.056,625 0.038,626 -0.052,627 -0.006,628 -0.005,629 0.032,630 0.009,631 -0.028,632 0.024,633 -0.02,634 -0.067,635 0.066,636 0.025,637 -0.023,638 0.059,639 -0.043,640 0.145,641 -0.186,642 -0.012,643 -0.063,644 -0.1,645 -0.017,646 -0.11,647 -0.135,648 -0.167,649 -0.032,650 -0.168,651 -0.029,652 0.055,653 -0.132,654 -0.063,655 -0.059,656 -0.105,657 1.865,658 5.27,659 0.892,660 47.693,661 1.004,662 1.134,663 4.379,664 19.18,665 0.659,666 3.761,667 4.094,668 4.407,669 4.71,670 5.011,671 5.147,672 5.394,673 5.602,674 5.771,675 5.935,676 7.967,677 0.629,678 502.65,679 3.761,680 5.313,681 6.18,682 7.067,683 7.953,684 8.85,685 9.746,686 10.65,687 11.553,688 12.462,689 8.8,692 1,695 1,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,730 1,731 68,733 22,734 2,735 42,737 73,738 28,739 17,740 4,741 8,746 6,747 7,752 1,755 3,758 3,761 17,762 11,779 1,781 31,782 8,783 1,784 9,787 1,790 6,794 0.833,795 2,796 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,846 1,848 37,853 1,854 10,856 1,858 1,859 2,869 1,870 2.9,871 1,874 1,877 17.5,878 12.043,879 8.083,880 4.234,881 3.806,882 1.431,883 0.998,884 7.054,885 12.644,886 3.989,887 4.588,888 5.203,889 5.822,890 6.403,891 6.774,892 7.273,893 7.739,894 8.1,895 8.489,896 1,897 61,898 13.748,900 5.962,901 7.667,902 26.741,904 22.747,905 2.167,906 80.167,910 353.133,911 136.404,912 58.504,914 53.683,915 14.96,917 136.404,918 406.816,919 73.464,921 24.782,922 118.493,923 83.461,924 31.298,925 17.288,926 341.362,928 353.133,929 194.908,930 68.643,933 323.337,934 47.084,935 53.683,937 42.284,938 99.94,939 50.357,941 368.093,942 112.188,943 136.404,946 353.133,947 51.975,948 92.576,950 119,951 353.133,952 127.148,953 136.404,955 0.579,956 0.342,957 0.188,958 0.109,959 30,960 12,961 0.082,962 6,963 1,964 1.061,965 4.764,966 378.392,967 0.061,968 33,969 180.75,974 24.294,975 10.744,976 5.194,977 1.663,978 125.249,979 16.448,980 14.767,984 4.117,985 2.218,986 42.683,987 616.685,988 53,999 68.265,1000 77.146,1001 0.262,1002 0.605,1003 0.8,1004 0.868,1005 0.874,1006 0.874,1007 5.239,1008 1.941,1009 6.155,1010 6.371,1011 4.779,1012 5.276,1013 1.81,1014 6.973,1015 4.671,1016 6.425,1017 1.713,1018 7.71,1019 5.469,1020 4.29,1021 5.037,1022 0.57,1023 7.867,1024 4.122,1025 7.726,1026 1.518,1027 9.365,1028 4.8,1029 6.375,1030 7.472,1031 1.434,1032 10.995,1033 6.166,1034 9.064,1035 1.266,1036 11.08,1037 4.171,1038 6.735,1039 8.122,1040 0.581,1041 12.758,1042 6.46,1043 10.438,1044 1.189,1045 12.837,1046 3.176,1047 8.253,1048 10.012,1049 1.158,1050 15.404,1051 7.939,1052 11.837,1053 1.04,1054 14.622,1055 2.908,1056 9.014,1057 11.095,1058 0.515,1059 17.539,1060 8.63,1061 13.258,1062 1,1063 16.429,1064 2.546,1065 10.302,1066 12.761,1067 0.936,1068 20.031,1069 9.873,1070 3.289,1071 1,1072 18.254,1073 2.275,1074 11.264,1075 14.066,1076 0.441,1077 22.332,1078 10.763,1079 2.875,1080 11.617,1081 20.092,1082 2.275,1083 12.46,1084 15.639,1085 0.756,1086 24.778,1087 11.907,1088 2.78,1089 9.6,1090 21.942,1091 4.638,1092 13.523,1093 17.056,1094 0.373,1095 27.153,1096 12.897,1097 2.685,1098 9.04,1099 23.802,1100 3.821,1101 14.687,1102 18.594,1103 0.609,1104 29.589,1105 14.003,1106 2.44,1107 7.779,1108 25.671,1109 3.62,1110 15.801,1111 20.067,1112 0.314,1113 32,1114 15.045,1115 2.318,1116 7.159,1117 27.547,1118 3.358,1119 16.96,1120 21.594,1121 0.49,1122 34.437,1123 16.14,1124 2.186,1125 6.69,1126 29.429,1127 3.032,1128 18.102,1129 23.095,1130 0.264,1131 36.866,1132 17.21,1133 20483,1134 33023,1135 29.126,1136 44.779,1137 63.339,1138 64.16,1139 64.269,1140 63.217,1141 63.171,1142 79.801,1143 7.027,1144 182.137,1145 59.662,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.08,1155 12.405,1156 1.508,1157 1.528,1158 1.53,1159 1.505,1160 1.504,1161 1.9,1162 0.167,1163 4.337,1164 1.421,1165 4.142,1166 4.194,1167 4.117,1168 3.984,1169 8.201,1170 4.008,1171 3.938,1172 3.976,1173 3.876,1174 3.856,1175 6.457,1176 3.855,1177 3.897,1178 3.928,1179 3.837,1180 3.811,1181 5.139,1182 3.817,1183 3.784,1184 3.84,1185 3.68,1186 3.62,1187 4.713,1188 3.625,1189 3.692,1190 3.751,1191 3.579,1192 3.481,1193 4.647,1194 3.497,1195 3.339,1196 3.4,1197 3.267,1198 3.136,1199 4.618,1200 3.157,1201 3.223,1202 3.28,1203 3.099,1204 3.039,1205 4.43,1206 3.043,1207 3.121,1208 3.206,1209 3.005,1210 2.941,1211 4.249,1212 2.934,1213 0.112,1214 0.08,1215 0.164,1216 0.101,1217 0.078,1218 4.694,1219 0.11,1220 3.38,1221 0.022,1222 6.903,1223 0.277,1224 4.225,1225 0.073,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.08,1231 1.962,1232 1.931,1233 2.079,1234 2.108,1235 1.432,1236 2.097,1237 1.922,1238 1.889,1239 2.039,1240 2.047,1241 1.216,1242 2.046,1243 1.833,1244 1.788,1245 1.976,1246 1.96,1247 1.154,1248 1.966,1249 1.76,1250 1.708,1251 1.93,1252 1.952,1253 1.134,1254 1.952,1255 1.569,1256 1.519,1257 1.688,1258 1.781,1259 0.846,1260 1.762,1261 1.346,1262 1.272,1263 1.518,1264 1.614,1265 0.825,1266 1.587,1267 1.194,1268 1.147,1269 1.513,1270 1.451,1271 0.825,1272 1.45,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.701,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.302,1284 4.727,1285 8.92,1286 6.862,1287 10.586,1291 13.27,1294 9.649,1295 7.518,1297 5.576,1299 0.29,1300 4.651,1305 42.79,1306 108.252,1307 250.425,1308 331.193,1309 359.193,1310 361.947,1311 361.947,1312 59.135,1313 8.838,1314 79.54,1315 79.54,1316 35,1317 12.98,1318 4.524,1319 3.585,1320 50.93,1321 170,1322 224,1323 0.141,1324 255.678,1325 438.45,1326 615.615,1327 93630,1328 1.5,1329 25.192,1330 0.681,1331 0.561,1332 24.321,1333 20.761,1334 18.174,1335 0.433,1336 0.308,1337 12.703,1338 17.359,1339 12.504,1340 10.217,1341 17.78,1342 12.92,1343 16.206,1344 0.275,1345 0.166,1346 15.584,1347 9.787,1348 14.255,1349 0.176,1350 0.091,1351 13.844,1352 7.351,1353 12.076,1354 0.11,1355 0.048,1356 11.934,1357 5.306,1358 10.49,1359 0.07,1360 0.026,1361 10.199,1362 3.881,1363 0.221,1364 114.614,1365 0.185,1366 33.662,1367 0.386,1368 202,1369 597.867,1370 223.443,1371 547.93,1372 753.18,1373 518,1374 241,1375 552.034,1376 264.272,1377 552.613,1378 819.81,1379 521,1380 7.155}
{0 CHEMBL591357,1 1.643,2 16.447,3 2.529,4 6.396,5 142.597,6 7.696,7 0.524,8 4.322,9 4.453,10 3.916,11 3.789,12 5.45,13 3.797,14 4.857,15 5.041,16 4.269,17 4.162,18 5.978,19 4.151,20 5.078,21 5.299,22 4.33,23 4.282,24 6.167,25 4.254,26 5.079,27 5.296,28 4.317,29 4.276,30 6.234,31 4.245,32 5.071,33 5.283,34 4.275,35 4.266,36 6.209,37 4.236,38 5.042,39 5.251,40 4.25,41 4.277,42 6.123,43 4.231,44 5.057,45 5.281,46 4.15,47 4.28,48 6.067,49 4.202,50 5.066,51 5.309,52 4.027,53 4.233,54 6.148,55 4.101,56 0.137,57 1.086,58 13.225,59 5.298,60 11.52,61 7.17,62 0.556,63 1.661,64 26.076,65 8.631,66 38.741,67 12.23,68 0.691,69 1.927,70 35.145,71 10.316,72 59.097,73 15.188,74 0.615,75 1.934,76 34.501,77 10.303,78 66.585,79 15.093,80 0.675,81 1.881,82 34.665,83 9.901,84 80.516,85 14.429,86 0.67,87 1.898,88 32.592,89 9.855,90 57.053,91 14.387,92 0.624,93 1.857,94 33.641,95 10.728,96 48.518,97 15.817,98 0.691,99 1.726,100 35.471,101 13.246,102 90.311,103 19.125,104 23,105 58,106 0.257,107 0.599,108 0.717,109 0.777,110 0.81,111 0.824,112 3.667,113 0.897,114 -4.36,115 -4.29,116 -4.05,119 38.8,120 2,125 6,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 8,174 4,175 4,178 3,179 1,180 6,183 8,186 5,187 7,192 6,195 4,198 5,199 15,204 8,207 1,211 1,212 10,217 4,220 2,223 1,224 12,227 3,228 1,229 2,232 7,236 3,237 5,245 10,249 3,250 2,253 6,254 1,255 1,258 10,263 3,266 2,271 4,275 2926,276 26.187,277 26.187,278 26.187,279 26.187,280 26.187,281 23.459,282 32.86,283 15.566,284 26.866,285 20.661,286 20.661,287 20.661,288 20.661,289 20.661,290 16.3,291 41.384,292 7.252,293 21.647,294 4.424,295 2.236,296 1.485,297 1.097,298 0.888,299 0.799,300 4.374,306 1366,307 4,310 103.396,311 507.145,314 180.863,318 2.582,319 39.07,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.66,330 83.5,331 625,332 4.673,333 3.568,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.198,342 3.549,343 6.11,344 3.833,345 2.837,346 3.795,347 1.058,348 8.946,349 2.828,350 4.167,351 3.348,352 6.095,353 3.771,354 2.791,355 3.77,356 0.86,357 8.804,358 2.729,359 3.915,360 2.906,361 6.029,362 3.592,363 2.671,364 3.312,365 0.8,366 8.593,367 2.495,368 3.865,369 2.796,370 5.557,371 3.554,372 2.585,373 3.187,374 0.247,375 7.59,376 2.455,377 3.695,378 2.564,379 5.31,380 3.316,381 2.346,382 3.068,384 6.871,385 2.27,386 3.364,387 2.417,388 5.12,389 2.943,390 1.997,391 2.589,393 5.793,394 1.907,395 3.183,396 2.318,397 4.677,398 2.887,399 1.904,400 2.279,402 5.096,403 1.834,404 2.964,405 1.908,406 4.416,407 2.5,408 1.538,409 2.161,411 4.263,412 1.475,413 2.858,414 1.893,415 4.351,416 2.43,417 1.503,418 1.916,420 3.864,421 1.4,422 2.744,423 1.535,424 4.17,425 2.391,426 1.453,427 1.818,428 3.755,429 1.341,430 2.5,431 1.51,432 3.761,433 2.08,434 1.165,435 1.5,436 2.905,437 1.059,438 2.5,439 1.32,440 3.43,441 2,442 1,443 1.5,445 2.275,446 1,447 2.473,448 1.256,449 3.414,450 2,451 1,452 1.466,454 2.275,455 1,456 2.113,457 1,458 3.414,459 1.952,460 1,461 1.043,463 2.136,464 0.946,465 17.6,466 0.463,467 0.794,468 0.021,469 50.5,470 1.329,471 24.5,472 0.645,473 26,474 0.684,475 32.309,476 0.85,477 41.2,478 0.615,479 42.762,480 1.125,481 10.058,482 0.265,483 8.493,484 0.223,485 0.095,487 0.33,493 0.774,494 1.441,495 0.749,496 1.169,497 0.586,498 0.982,499 0.855,500 1.138,501 0.834,502 0.983,503 0.575,504 0.919,505 1.074,506 1.043,507 0.902,508 0.877,509 0.915,510 0.855,511 1.063,512 1.123,513 0.979,514 1.028,515 1.156,516 0.984,517 1.332,518 1.121,519 1.074,520 0.951,521 1.545,522 0.955,523 1.058,524 1.062,525 1.135,526 1.033,527 0.942,528 1.074,529 0.89,530 1.034,531 1.155,532 1.104,533 0.685,534 1.152,535 0.354,536 0.971,537 0.964,538 1.267,539 0.414,540 1.25,541 7,542 0.203,543 4.222,544 2.257,545 1.84,546 1.642,547 0.907,548 0.396,549 0.37,550 0.337,551 25719,552 70505,553 2.113,554 43.3,556 20,559 3,561 6,564 1.783,565 2,566 3.907,567 0.843,573 110.051,574 1.643,575 3.83,576 4.581,577 4.969,578 5.178,579 5.267,580 3.355,581 4.86,582 5.216,583 4.148,584 2915.91,585 9.163,586 51008.8,591 406.428,592 1.324,593 5.189,594 0.167,595 0.006,596 0.073,597 0.037,598 0.031,599 0.029,600 0.016,601 0.008,602 0.009,603 0.01,604 0.386,605 0.17,606 0.63,607 0.98,608 215.021,609 -0.006,610 -0.181,611 0.062,612 -0.094,613 -0.032,614 -0.019,615 0.112,616 -0.005,617 0.078,618 0.019,619 0.093,620 0.03,621 -0.068,622 0.006,623 0.065,624 0.091,625 -0.016,626 0.1,627 -0.081,628 -0.055,629 -0.023,630 -0.062,631 -0.04,632 -0.035,633 -0.231,634 -0.069,635 -0.106,636 0.014,637 -0.207,638 -0.013,639 -0.119,640 0.044,641 -0.202,642 -0.064,643 -0.107,644 -0.132,645 -0.076,646 0.029,647 -0.223,648 -0.107,649 -0.069,650 -0.171,651 0.35,652 -0.027,653 -0.011,654 -0.204,655 0.3,656 -0.188,657 2.061,658 5.507,659 0.711,660 50.737,661 1.011,662 1.138,663 3.126,664 9.771,665 0.657,666 3.761,667 4.078,668 4.369,669 4.644,670 4.89,671 5.024,672 5.215,673 5.352,674 5.425,675 5.541,676 9.361,677 0.636,678 515.64,679 3.761,680 5.303,681 6.159,682 7.038,683 7.912,684 8.8,685 9.684,686 10.577,687 11.468,688 12.365,689 13.4,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,718 1,726 1,731 67,733 24,734 2,735 42,737 71,738 26,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 2,761 18,762 8,766 2,771 2,775 2,781 29,782 11,783 3,784 12,790 9,794 0.8,795 3,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 38,854 6,855 3,856 1,859 1,867 1,870 4.5,873 2,874 1,877 19,878 12.617,879 8.5,880 4.279,881 4.227,882 1.492,883 0.993,884 8.01,885 12.81,886 4.025,887 4.618,888 5.225,889 5.838,890 6.397,891 6.779,892 7.253,893 7.675,894 7.964,895 8.365,896 0.909,897 61,898 14.042,900 5.953,901 7.781,902 26.627,904 21.499,905 2.281,906 86.667,910 306.049,911 140.448,912 125.708,914 61.29,917 140.448,918 367.338,919 125.708,920 17.65,921 71.64,922 75.81,923 134.484,924 21.258,925 6.604,926 306.049,928 306.049,929 266.156,930 61.29,933 237.75,934 120.916,935 11,937 94.926,938 102.127,939 66.775,941 306.049,942 186.997,943 140.448,946 306.049,947 46.988,948 98.361,949 54.032,950 128.064,951 306.049,952 186.997,953 140.448,955 0.573,956 0.34,957 0.188,958 0.102,959 27,960 12,961 0.099,962 7,963 1,964 1.074,965 4.888,966 367.628,967 0.074,968 27,969 187.421,974 25.89,975 11.757,976 5.899,977 1.352,978 185.221,979 14.011,980 18.157,984 3.818,985 1.757,986 54.032,987 633.494,988 55,993 24.403,997 -0.548,999 67.734,1000 76.265,1001 0.271,1002 0.631,1003 0.755,1004 0.819,1005 0.854,1006 0.868,1007 5.26,1008 1.904,1009 6.133,1010 5.793,1011 4.762,1012 5.306,1013 2.349,1014 6.942,1015 4.677,1016 6.457,1017 1.538,1018 7.688,1019 5.096,1020 4.29,1021 5.112,1022 1.305,1023 7.832,1024 4.179,1025 7.763,1026 1.503,1027 9.341,1028 4.263,1029 6.351,1030 7.515,1031 2.725,1032 10.941,1033 6.183,1034 9.106,1035 1.453,1036 11.055,1037 3.864,1038 6.723,1039 8.187,1040 2.354,1041 12.682,1042 6.524,1043 10.483,1044 1.165,1045 12.809,1046 3.755,1047 8.222,1048 10.055,1049 3.385,1050 15.304,1051 7.972,1052 11.885,1053 1,1054 14.589,1055 2.905,1056 8.987,1057 11.141,1058 3.414,1059 17.41,1060 8.697,1061 13.306,1062 1,1063 16.39,1064 2.275,1065 10.259,1066 12.793,1067 4.215,1068 19.876,1069 9.921,1070 3.254,1071 1,1072 18.207,1073 2.275,1074 11.215,1075 14.092,1076 4.466,1077 22.149,1078 10.829,1079 2.837,1080 11.391,1081 20.036,1082 2.136,1083 12.397,1084 15.656,1085 5.136,1086 24.571,1087 11.961,1088 2.791,1089 8.946,1090 21.875,1091 4.627,1092 13.449,1093 17.065,1094 5.504,1095 26.923,1096 12.958,1097 2.671,1098 8.804,1099 23.724,1100 3.795,1101 14.599,1102 18.596,1103 6.101,1104 29.337,1105 14.056,1106 2.585,1107 8.593,1108 25.58,1109 3.77,1110 15.7,1111 20.061,1112 6.531,1113 31.727,1114 15.098,1115 2.346,1116 7.59,1117 27.443,1118 3.312,1119 16.845,1120 21.582,1121 7.087,1122 34.144,1123 16.186,1124 1.997,1125 6.871,1126 29.312,1127 3.187,1128 17.972,1129 23.077,1130 7.551,1131 36.554,1132 17.252,1133 24201,1134 40256,1135 28.433,1136 44.029,1137 62.543,1138 64.46,1139 64.307,1140 62.288,1141 62.322,1142 81.002,1143 9.243,1144 177.621,1145 59.696,1146 5.673,1147 5.568,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 17.664,1156 1.489,1157 1.535,1158 1.531,1159 1.483,1160 1.484,1161 1.929,1162 0.22,1163 4.229,1164 1.421,1165 4.111,1166 4.168,1167 4.094,1168 3.945,1169 7.432,1170 3.97,1171 3.95,1172 3.984,1173 3.901,1174 3.856,1175 7.428,1176 3.861,1177 3.873,1178 3.908,1179 3.82,1180 3.762,1181 5.22,1182 3.778,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.792,1188 3.519,1189 3.585,1190 3.66,1191 3.49,1192 3.359,1193 4.72,1194 3.37,1195 3.47,1196 3.539,1197 3.365,1198 3.261,1199 4.628,1200 3.268,1201 3.386,1202 3.445,1203 3.259,1204 3.148,1205 4.509,1206 3.175,1207 3.157,1208 3.216,1209 3.043,1210 2.958,1211 4.207,1212 2.976,1213 0.111,1214 0.085,1215 0.163,1216 0.1,1217 0.077,1218 4.673,1219 0.11,1220 3.568,1221 0.039,1222 6.84,1223 0.271,1224 4.197,1225 0.073,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.948,1232 1.918,1233 2.031,1234 2.088,1235 1.217,1236 2.067,1237 1.908,1238 1.883,1239 2.006,1240 2.023,1241 1.113,1242 2.017,1243 1.785,1244 1.741,1245 1.931,1246 1.954,1247 1.098,1248 1.952,1249 1.633,1250 1.569,1251 1.86,1252 1.886,1253 1.041,1254 1.875,1255 1.541,1256 1.461,1257 1.833,1258 1.79,1259 0.978,1260 1.803,1261 1.474,1262 1.401,1263 1.644,1264 1.717,1265 0.825,1266 1.701,1267 1.281,1268 1.237,1269 1.513,1270 1.567,1271 0.748,1272 1.526,1273 1.153,1274 1.064,1275 1.404,1276 1.376,1277 0.383,1278 1.429,1279 4.443,1281 5.759,1282 2.398,1283 7.273,1284 4.727,1285 8.876,1286 6.843,1287 10.527,1289 3.853,1295 3.889,1296 8.328,1297 5.498,1300 2.148,1305 42.605,1306 110.051,1307 256.614,1308 306.918,1309 332.918,1310 346.918,1311 352.918,1312 67.384,1313 8.584,1314 139.19,1315 139.19,1316 29,1317 12.89,1318 4.644,1319 3.807,1320 59.529,1321 216,1322 250,1323 0.133,1324 261.213,1325 446.65,1326 629.12,1327 76240,1329 26.485,1330 0.697,1331 0.56,1332 26.485,1333 21.269,1334 18.55,1335 0.442,1336 0.299,1337 12.329,1338 17.62,1339 12.096,1340 10.016,1341 18.55,1342 12.56,1343 16.271,1344 0.281,1345 0.149,1346 16.271,1347 8.641,1348 13.975,1349 0.179,1350 0.078,1351 13.975,1352 6.098,1353 11.863,1354 0.115,1355 0.04,1356 11.863,1357 4.143,1358 9.487,1359 0.072,1360 0.021,1361 9.487,1362 2.768,1363 0.216,1364 117.602,1365 0.188,1366 35.1,1367 0.344,1368 200,1369 628.076,1370 225.902,1371 600.791,1372 828.62,1373 564,1374 236,1375 624.368,1376 262.906,1377 622.984,1378 916.37,1379 588,1380 8.523}
{0 CHEMBL591358,1 1.643,2 15.816,3 2.386,4 5.694,5 142.746,6 7.696,7 0.524,8 4.322,9 4.452,10 3.919,11 3.784,12 5.454,13 3.793,14 4.86,15 5.05,16 4.278,17 4.162,18 5.969,19 4.157,20 5.06,21 5.264,22 4.35,23 4.302,24 6.185,25 4.275,26 5.134,27 5.36,28 4.318,29 4.3,30 6.275,31 4.262,32 5.066,33 5.277,34 4.276,35 4.282,36 6.187,37 4.244,38 5.076,39 5.297,40 4.237,41 4.281,42 6.132,43 4.226,44 5.039,45 5.264,46 4.146,47 4.254,48 6.048,49 4.181,50 5.036,51 5.269,52 4.025,53 4.221,54 6.134,55 4.097,56 0.129,57 1.087,58 13.192,59 5.278,60 11.108,61 7.172,62 0.601,63 1.663,64 26.536,65 8.38,66 35.982,67 11.961,68 0.609,69 1.939,70 33.25,71 10.45,72 51.905,73 15.026,74 0.727,75 1.983,76 37.581,77 10.939,78 82.436,79 16.012,80 0.604,81 1.905,82 33.89,83 10.054,84 68.767,85 14.742,86 0.699,87 1.917,88 34.523,89 10.291,90 60.124,91 15.222,92 0.622,93 1.82,94 33.229,95 10.386,96 47.433,97 15.418,98 0.695,99 1.704,100 33.813,101 12.568,102 85.709,103 18.017,104 31,105 59,106 0.257,107 0.595,108 0.725,109 0.766,110 0.785,111 0.799,112 3.668,113 0.883,114 -4.36,115 -4.29,116 -4.05,119 38.8,120 1,124 2,125 5,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 8,174 5,175 5,178 2,179 1,180 4,183 8,186 5,187 9,192 4,195 4,198 5,199 16,204 6,211 1,212 10,217 4,223 1,224 12,227 4,229 2,232 5,236 3,237 5,245 10,249 4,250 2,253 6,258 10,263 3,266 2,271 4,275 2894,276 25.817,277 25.817,278 25.817,279 25.817,280 25.817,281 23.113,282 31.895,283 15.101,284 26.509,285 20.659,286 20.659,287 20.659,288 20.659,289 20.659,290 16.313,291 40.355,292 7.089,293 21.688,294 4.424,295 2.261,296 1.429,297 1.168,298 1.049,299 0.959,300 4.372,306 1311,307 4.123,310 103.36,311 506.792,314 180.788,318 2.476,319 38.898,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.66,330 83.5,331 601,332 4.673,333 3.664,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.245,342 3.561,343 6.284,344 3.915,345 2.923,346 3.802,347 1.2,348 9.194,349 2.895,350 4.17,351 3.348,352 6.11,353 3.775,354 2.799,355 3.786,356 0.86,357 8.946,358 2.73,359 3.923,360 2.906,361 6.095,362 3.594,363 2.671,364 3.314,365 0.8,366 8.804,367 2.513,368 3.881,369 2.796,370 5.567,371 3.576,372 2.614,373 3.21,374 0.293,375 7.621,376 2.456,377 3.722,378 2.574,379 5.331,380 3.346,381 2.381,382 3.098,383 0.247,384 6.919,385 2.295,386 3.394,387 2.419,388 5.12,389 2.985,390 2.018,391 2.618,393 5.793,394 1.95,395 3.184,396 2.318,397 4.869,398 2.908,399 1.967,400 2.279,402 5.315,403 1.84,404 3.057,405 2.044,406 4.625,407 2.712,408 1.743,409 2.208,411 4.788,412 1.679,413 2.949,414 1.908,415 4.408,416 2.438,417 1.508,418 2.116,420 4.228,421 1.407,422 2.745,423 1.839,424 4.35,425 2.392,426 1.465,427 1.818,428 3.862,429 1.341,430 2.5,431 1.535,432 3.761,433 2.08,434 1.165,435 1.5,436 2.905,437 1.059,438 2.5,439 1.32,440 3.43,441 2,442 1,443 1.5,445 2.275,446 1,447 2.473,448 1.256,449 3.414,450 2,451 1,452 1.466,454 2.275,455 1,456 2.179,457 1,458 3.414,459 1.952,460 1,461 1.043,463 2.136,464 0.946,465 17.6,466 0.463,467 0.921,468 0.024,469 50.75,470 1.336,471 24.5,472 0.645,473 26.25,474 0.691,475 32.167,476 0.847,477 41.2,478 0.615,479 43.824,480 1.153,481 10.237,482 0.269,483 8.187,484 0.215,485 0.123,487 0.352,493 0.76,494 1.506,495 0.74,496 1.209,497 0.58,498 1.004,499 0.914,500 1.025,501 0.814,502 0.853,503 0.586,504 0.817,505 1.042,506 1.157,507 0.944,508 1.023,509 0.894,510 0.972,511 1.157,512 1.04,513 0.99,514 0.946,515 1.376,516 0.935,517 1.187,518 1.175,519 1.067,520 1.028,521 1.284,522 1.015,523 1.018,524 1.032,525 1.102,526 1.008,527 0.919,528 1.047,529 0.895,530 1.031,531 1.118,532 1.067,533 0.674,534 1.107,535 0.42,536 0.963,537 1.03,538 1.275,539 0.469,540 1.279,541 7.5,542 0.236,543 4.444,544 2.382,545 2,546 1.67,547 0.968,548 0.368,549 0.419,550 0.317,551 25559,552 70237,553 2.097,554 43.3,556 24,559 2,561 3,564 1.783,565 1.966,566 3.871,567 0.227,573 110.051,574 1.643,575 3.805,576 4.637,577 4.898,578 5.017,579 5.107,580 3.35,581 4.807,582 5.217,583 4.126,584 2900.76,585 9.164,586 50694.8,591 406.428,592 1.402,593 5.18,594 0.179,595 0.007,596 0.075,597 0.038,598 0.034,599 0.029,600 0.018,601 0.008,602 0.01,603 0.009,604 0.408,605 0.17,606 0.63,607 0.885,608 214.814,609 0.007,610 -0.247,611 0.071,612 -0.135,613 -0.031,614 -0.041,615 0.082,616 0.109,617 0.109,618 0.131,619 0.08,620 0.121,621 -0.057,622 -0.077,623 -0.004,624 -0.032,625 0.006,626 -0.015,627 -0.113,628 -0.01,629 -0.012,630 0.015,631 -0.099,632 0.018,633 -0.19,634 -0.106,635 -0.119,636 -0.051,637 -0.16,638 -0.063,639 -0.094,640 0.042,641 -0.154,642 -0.042,643 -0.096,644 -0.095,645 -0.067,646 0.028,647 -0.179,648 -0.077,649 -0.047,650 -0.129,651 0.313,652 0.012,653 -0.087,654 -0.219,655 0.261,656 -0.233,657 2.061,658 5.516,659 0.711,660 49.806,661 1.011,662 1.138,663 3.126,664 9.771,665 0.657,666 3.761,667 4.094,668 4.382,669 4.644,670 4.89,671 5.024,672 5.226,673 5.352,674 5.425,675 5.533,676 9.293,677 0.636,678 515.64,679 3.761,680 5.313,681 6.172,682 7.054,683 7.93,684 8.819,685 9.704,686 10.598,687 11.488,688 12.386,689 13.4,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,719 1,726 1,731 67,733 24,734 2,735 42,737 71,738 26,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 1,761 18,762 8,766 2,771 2,775 2,781 29,782 11,783 2,784 12,790 9,794 0.8,795 3,806 1,811 1,812 4,815 1,839 1,840 4,844 3,848 38,854 5,855 2,856 1,859 2,867 1,870 4.5,873 2,874 1,877 19.333,878 13.067,879 8.361,880 4.041,881 4.227,882 1.492,883 0.989,884 7.723,885 12.81,886 4.025,887 4.627,888 5.236,889 5.838,890 6.399,891 6.782,892 7.26,893 7.677,894 7.964,895 8.362,896 1,897 62,898 14.038,900 5.952,901 7.781,902 26.593,904 21.463,905 2.281,906 86.667,910 317.82,911 146.31,912 110.821,914 61.29,917 146.31,918 379.109,919 110.821,920 25.618,921 54.648,922 75.81,923 134.484,924 21.258,925 6.604,926 317.82,928 317.82,929 257.131,930 61.29,933 284.834,934 85.603,935 11,937 69.109,938 118.92,939 66.775,941 317.82,942 172.111,943 146.31,946 317.82,947 44.882,948 109.453,949 36.022,950 128.064,951 317.82,952 172.111,953 146.31,955 0.583,956 0.344,957 0.183,958 0.1,959 28,960 13,961 0.085,962 6,963 1,964 1.074,965 4.848,966 369.588,967 0.074,968 27,969 185.421,974 25.89,975 11.335,976 5.744,977 1.352,978 170.334,979 14.048,980 18.16,984 3.837,985 1.758,986 36.022,987 636.241,988 55,993 24.55,997 -0.494,999 67.734,1000 76.265,1001 0.271,1002 0.627,1003 0.764,1004 0.807,1005 0.827,1006 0.842,1007 5.27,1008 1.967,1009 6.159,1010 5.793,1011 4.779,1012 5.316,1013 2.409,1014 6.976,1015 4.69,1016 6.476,1017 1.743,1018 7.724,1019 5.315,1020 4.369,1021 5.147,1022 1.404,1023 7.888,1024 4.244,1025 7.785,1026 1.508,1027 9.387,1028 4.788,1029 6.382,1030 7.527,1031 2.79,1032 10.99,1033 6.208,1034 9.132,1035 1.465,1036 11.108,1037 4.228,1038 6.792,1039 8.209,1040 2.438,1041 12.737,1042 6.582,1043 10.511,1044 1.165,1045 12.868,1046 3.862,1047 8.267,1048 10.067,1049 3.447,1050 15.36,1051 8.011,1052 11.915,1053 1,1054 14.653,1055 2.905,1056 9.053,1057 11.156,1058 3.469,1059 17.464,1060 8.755,1061 13.336,1062 1,1063 16.458,1064 2.275,1065 10.314,1066 12.804,1067 4.261,1068 19.931,1069 9.972,1070 3.254,1071 1,1072 18.278,1073 2.275,1074 11.281,1075 14.103,1076 4.499,1077 22.199,1078 10.892,1079 2.923,1080 11.391,1081 20.111,1082 2.136,1083 12.458,1084 15.665,1085 5.165,1086 24.618,1087 12.023,1088 2.799,1089 9.194,1090 21.953,1091 4.627,1092 13.515,1093 17.073,1094 5.523,1095 26.964,1096 13.028,1097 2.671,1098 8.946,1099 23.803,1100 3.802,1101 14.663,1102 18.603,1103 6.118,1104 29.374,1105 14.127,1106 2.614,1107 8.804,1108 25.661,1109 3.786,1110 15.765,1111 20.068,1112 6.542,1113 31.759,1114 15.174,1115 2.381,1116 7.621,1117 27.524,1118 3.314,1119 16.908,1120 21.588,1121 7.097,1122 34.172,1123 16.264,1124 2.018,1125 6.919,1126 29.394,1127 3.21,1128 18.034,1129 23.082,1130 7.557,1131 36.578,1132 17.333,1133 24054,1134 40056,1135 28.145,1136 44.029,1137 63.378,1138 65.256,1139 64.958,1140 62.993,1141 62.958,1142 81.615,1143 10.112,1144 181.769,1145 60.172,1146 5.673,1147 5.664,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 19.761,1156 1.509,1157 1.554,1158 1.547,1159 1.5,1160 1.499,1161 1.943,1162 0.241,1163 4.328,1164 1.433,1165 4.111,1166 4.168,1167 4.095,1168 3.945,1169 7.432,1170 3.97,1171 3.953,1172 3.986,1173 3.904,1174 3.857,1175 7.427,1176 3.863,1177 3.873,1178 3.909,1179 3.821,1180 3.762,1181 5.22,1182 3.778,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.792,1188 3.519,1189 3.587,1190 3.657,1191 3.506,1192 3.332,1193 4.719,1194 3.363,1195 3.464,1196 3.536,1197 3.366,1198 3.258,1199 4.628,1200 3.262,1201 3.373,1202 3.431,1203 3.254,1204 3.12,1205 4.509,1206 3.153,1207 3.111,1208 3.206,1209 3.011,1210 2.941,1211 4.208,1212 2.919,1213 0.111,1214 0.087,1215 0.163,1216 0.1,1217 0.077,1218 4.673,1219 0.11,1220 3.664,1221 0.039,1222 6.84,1223 0.271,1224 4.197,1225 0.073,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.949,1232 1.918,1233 2.031,1234 2.088,1235 1.217,1236 2.068,1237 1.91,1238 1.885,1239 2.007,1240 2.025,1241 1.113,1242 2.019,1243 1.785,1244 1.741,1245 1.931,1246 1.955,1247 1.097,1248 1.952,1249 1.633,1250 1.569,1251 1.86,1252 1.886,1253 1.041,1254 1.875,1255 1.505,1256 1.43,1257 1.769,1258 1.782,1259 0.826,1260 1.778,1261 1.473,1262 1.4,1263 1.643,1264 1.715,1265 0.825,1266 1.7,1267 1.258,1268 1.209,1269 1.513,1270 1.55,1271 0.748,1272 1.509,1273 1.153,1274 1.064,1275 1.417,1276 1.376,1277 0.469,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.294,1284 4.727,1285 8.901,1286 6.843,1287 10.554,1289 5.379,1295 3.337,1296 5.593,1297 5.499,1300 3.648,1305 42.605,1306 110.051,1307 254.962,1308 310.654,1309 328.163,1310 336.163,1311 342.163,1312 67.877,1313 8.584,1314 130.4,1315 130.4,1316 29,1317 12.911,1318 4.644,1319 3.807,1320 59.523,1321 215,1322 216,1323 0.134,1324 261.213,1325 446.65,1326 629.12,1327 75921,1329 26.648,1330 0.701,1331 0.566,1332 26.648,1333 21.51,1334 18.423,1335 0.439,1336 0.294,1337 12.119,1338 17.46,1339 11.814,1340 9.81,1341 18.423,1342 12.367,1343 16.608,1344 0.281,1345 0.152,1346 16.608,1347 8.981,1348 14.222,1349 0.18,1350 0.078,1351 14.222,1352 6.151,1353 11.673,1354 0.113,1355 0.04,1356 11.673,1357 4.13,1358 9.444,1359 0.072,1360 0.021,1361 9.444,1362 2.752,1363 0.217,1364 117.128,1365 0.188,1366 35.048,1367 0.346,1368 202,1369 635.388,1370 227.93,1371 608.28,1372 836.72,1373 570,1374 239,1375 628.791,1376 266.904,1377 631.38,1378 925.77,1379 592,1380 8.854}
{0 CHEMBL591576,1 1.676,2 13.189,3 3.431,4 11.768,5 135.793,6 7.794,7 0.524,8 4.304,9 4.421,10 3.913,11 3.803,12 5.405,13 3.809,14 4.883,15 5.058,16 4.298,17 4.22,18 5.965,19 4.21,20 5.154,21 5.372,22 4.394,23 4.384,24 6.204,25 4.341,26 5.21,27 5.441,28 4.384,29 4.411,30 6.314,31 4.351,32 5.225,33 5.461,34 4.355,35 4.416,36 6.233,37 4.352,38 5.195,39 5.425,40 4.336,41 4.383,42 6.229,43 4.328,44 5.131,45 5.345,46 4.297,47 4.366,48 6.146,49 4.306,50 5.182,51 5.405,52 4.264,53 4.418,54 6.15,55 4.329,56 0.109,57 1.149,58 12.551,59 5.778,60 13.943,61 7.244,62 0.497,63 1.882,64 26.211,65 9.539,66 37.858,67 12.3,68 0.763,69 2.355,70 37.533,71 12.79,72 62.118,73 17.331,74 0.872,75 2.519,76 40.415,77 13.637,78 104.895,79 18.83,80 0.8,81 2.402,82 41.399,83 13.378,84 84.537,85 18.849,86 0.899,87 2.334,88 39.597,89 12.081,90 86.596,91 16.89,92 0.76,93 2.244,94 36.171,95 12.305,96 66.968,97 16.632,98 0.71,99 2.261,100 38.628,101 14.444,102 65.334,103 19.366,104 11,105 60,106 0.264,107 0.593,108 0.776,109 0.848,110 0.848,111 0.848,112 3.643,113 0.899,114 -5.78,115 -5.64,116 -5.26,119 41.5,121 2,125 7,127 1,142 7,143 2,144 3,146 1,147 1,149 1,160 1,161 1,172 7,174 4,175 7,180 1,183 8,186 4,187 6,192 2,195 4,198 4,199 10,204 2,207 2,211 1,212 7,217 1,220 4,223 3,224 11,227 2,232 2,236 2,237 7,245 4,249 2,250 6,253 2,258 4,263 10,266 1,271 2,275 2769,276 25.61,277 25.61,278 25.61,279 25.61,280 25.61,281 23.072,282 32.758,283 14.96,284 26.373,285 20.7,286 20.7,287 20.7,288 20.7,289 20.7,290 16.735,291 43.175,292 7.042,293 22.014,294 4.346,295 2.263,296 1.102,297 0.646,298 0.646,299 0.646,300 4.361,306 1086,307 2.739,310 82.626,311 551.114,314 150.139,318 1.968,319 46.608,322 0.5,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.7,330 82,331 488,332 4.694,333 3.388,334 6.903,335 4.226,336 3.29,337 4.638,338 0.86,339 11.618,340 3.081,341 4.315,342 3.338,343 6.463,344 3.965,345 3.022,346 3.927,347 0.8,348 9.994,349 2.843,350 4.199,351 3.031,352 6.324,353 3.814,354 2.849,355 3.821,356 0.8,357 9.576,358 2.764,359 3.987,360 2.913,361 6.131,362 3.707,363 2.765,364 3.357,365 0.765,366 9.04,367 2.593,368 3.65,369 2.827,370 5.581,371 3.352,372 2.412,373 3.032,375 7.205,376 2.265,377 3.625,378 2.595,379 5.281,380 3.276,381 2.314,382 2.897,384 6.693,385 2.216,386 3.404,387 2.49,388 5.249,389 3.135,390 2.194,391 2.52,393 6.493,394 2.047,395 3.085,396 2.376,397 4.821,398 2.772,399 1.858,400 2.191,402 5.146,403 1.687,404 2.972,405 2.137,406 4.696,407 2.597,408 1.69,409 2.178,411 4.706,412 1.52,413 2.91,414 1.623,415 4.385,416 2.472,417 1.518,418 2,420 4.171,421 1.445,422 2.688,423 1.593,424 4.125,425 2.261,426 1.325,427 1.766,428 3.401,429 1.236,430 2.634,431 1.406,432 3.914,433 2.168,434 1.228,435 1.68,436 2.981,437 1.154,438 2.463,439 1.256,440 3.759,441 2.082,442 1.148,443 1.449,445 2.878,446 1.059,447 2.348,448 1.213,449 3.487,450 1.984,451 1.023,452 1.332,454 2.543,455 0.983,456 2,457 1.077,458 3.414,459 1.966,460 1,461 1,463 2.275,464 0.961,465 17.138,466 0.463,467 0.828,468 0.022,469 47,470 1.27,471 21,472 0.568,473 26,474 0.703,475 35.362,476 0.956,477 40.462,478 0.622,479 38.859,480 1.05,481 9.203,482 0.249,483 8.899,484 0.241,485 0.053,487 0.362,491 2,493 0.719,494 1.274,495 0.708,496 1.16,497 0.599,498 0.98,499 0.92,500 1.001,501 0.883,502 0.939,503 0.628,504 0.905,505 0.858,506 1.01,507 0.917,508 0.968,509 0.725,510 0.956,511 0.73,512 0.952,513 0.928,514 0.999,515 0.688,516 1.002,517 0.839,518 0.982,519 0.981,520 0.976,521 0.841,522 0.992,523 0.925,524 0.911,525 1.105,526 0.93,527 0.805,528 1.011,529 0.914,530 0.986,531 1.111,532 1.062,533 0.845,534 1.106,535 0.757,536 0.905,537 1.06,538 1.103,539 0.708,540 1.145,541 6.5,542 0.269,543 4.444,544 2.347,545 1.938,546 1.546,547 1.056,548 0.54,549 0.375,550 0.331,551 21489,552 61611,553 2.18,554 43.1,556 22,558 1,559 1,562 4,564 1.785,565 2.075,566 3.63,567 -0.338,573 108.956,574 1.676,575 3.759,576 4.92,577 5.376,578 5.376,579 5.376,580 3.06,581 4.736,582 5.177,583 3.825,584 2547.46,585 9.135,586 40533.3,591 391.454,592 1.288,593 5.156,594 0.155,595 0.007,596 0.074,597 0.037,598 0.031,599 0.025,600 0.018,601 0.009,602 0.007,603 0.007,604 0.37,605 0.17,606 0.63,607 0.575,608 201.917,609 -0.05,610 -0.231,611 0.06,612 -0.099,613 -0.031,614 -0.016,615 -0.086,616 -0.022,617 -0.01,618 0.036,619 -0.001,620 0.029,621 -0.012,622 -0.029,623 0.016,624 0.005,625 0.019,626 0.011,627 0.055,628 0.004,629 0.01,630 -0.033,631 0.084,632 -0.024,633 -0.054,634 -0.036,635 -0.037,636 -0.016,637 -0.087,638 -0.017,639 -0.094,640 0.051,641 -0.166,642 -0.009,643 -0.085,644 -0.077,645 -0.076,646 0.017,647 -0.191,648 -0.09,649 -0.089,650 -0.146,651 -0.021,652 0.02,653 -0.145,654 -0.096,655 -0.03,656 -0.138,657 2.239,658 6.352,659 0.892,660 44.428,661 1.014,662 1.14,663 4.549,664 20.697,665 0.661,666 3.761,667 4.111,668 4.443,669 4.754,670 5.037,671 5.198,672 5.434,673 5.638,674 5.82,675 5.996,676 7.665,677 0.641,678 506.61,679 3.761,680 5.323,681 6.201,682 7.098,683 7.992,684 8.897,685 9.8,686 10.71,687 11.619,688 12.533,689 9.2,695 2,697 1,699 3,703 2,704 8,705 3,709 7,710 1,711 22,726 2,730 2,731 65,733 22,734 2,735 42,737 70,738 27,739 17,740 5,741 7,746 6,747 7,752 1,755 3,758 3,761 17,762 10,779 2,781 28,782 9,783 1,784 10,787 1,790 6,794 0.833,795 2,796 1,806 1,811 1,812 5,815 1,838 1,839 1,840 5,846 2,848 37,853 1,854 9,856 1,858 1,859 2,869 2,870 3.1,871 1,874 1,877 17.833,878 11.602,879 8.056,880 4.046,881 3.893,882 1.439,883 1.003,884 6.766,885 12.77,886 3.989,887 4.608,888 5.241,889 5.864,890 6.432,891 6.821,892 7.302,893 7.765,894 8.14,895 8.549,896 0.889,897 64,898 13.805,900 6.109,901 7.833,902 26.346,904 22.458,905 2.333,906 86.333,910 317.82,911 133.514,912 58.504,914 53.683,915 29.92,917 133.514,918 371.503,919 88.425,921 22.677,922 109.017,923 83.461,924 39.99,925 32.248,926 306.049,928 317.82,929 192.019,930 83.603,933 302.983,934 47.084,935 53.683,937 37.054,938 102.28,939 50.357,941 347.74,942 112.188,943 133.514,946 317.82,947 58.562,948 83.1,950 133.96,951 317.82,952 142.108,953 133.514,955 0.583,956 0.351,957 0.196,958 0.109,959 31,960 13,961 0.071,962 5,963 1,964 1.061,965 4.674,966 384.847,967 0.061,968 33,969 184.75,974 24.233,975 10.331,976 4.794,977 1.503,978 140.209,979 13.174,980 14.604,984 2.305,985 2.11,986 42.683,987 593.442,988 53,999 65.894,1000 74.07,1001 0.278,1002 0.624,1003 0.817,1004 0.893,1005 0.893,1006 0.893,1007 5.25,1008 1.858,1009 6.188,1010 6.493,1011 4.796,1012 5.296,1013 1.717,1014 7.033,1015 4.677,1016 6.449,1017 1.69,1018 7.763,1019 5.146,1020 4.369,1021 5.121,1022 0.57,1023 7.984,1024 4.179,1025 7.763,1026 1.518,1027 9.439,1028 4.706,1029 6.418,1030 7.518,1031 1.308,1032 11.119,1033 6.19,1034 9.113,1035 1.325,1036 11.175,1037 4.171,1038 6.836,1039 8.215,1040 0.479,1041 12.915,1042 6.533,1043 10.5,1044 1.228,1045 12.951,1046 3.401,1047 8.333,1048 10.08,1049 1.012,1050 15.564,1051 7.992,1052 11.911,1053 1.148,1054 14.754,1055 2.981,1056 9.139,1057 11.19,1058 0.346,1059 17.707,1060 8.722,1061 13.343,1062 1.023,1063 16.576,1064 2.878,1065 10.417,1066 12.839,1067 0.775,1068 20.195,1069 9.956,1070 3.29,1071 1,1072 18.413,1073 2.543,1074 11.406,1075 14.154,1076 0.237,1077 22.489,1078 10.872,1079 3.022,1080 11.618,1081 20.262,1082 2.275,1083 12.599,1084 15.716,1085 0.585,1086 24.926,1087 12.012,1088 2.849,1089 9.994,1090 22.121,1091 4.638,1092 13.676,1093 17.133,1094 0.158,1095 27.289,1096 13.017,1097 2.765,1098 9.576,1099 23.987,1100 3.927,1101 14.839,1102 18.663,1103 0.435,1104 29.714,1105 14.122,1106 2.412,1107 9.04,1108 25.859,1109 3.821,1110 15.958,1111 20.132,1112 0.104,1113 32.112,1114 15.172,1115 2.314,1116 7.205,1117 27.737,1118 3.357,1119 17.114,1120 21.652,1121 0.32,1122 34.537,1123 16.266,1124 2.194,1125 6.693,1126 29.619,1127 3.032,1128 18.255,1129 23.148,1130 0.068,1131 36.955,1132 17.338,1133 19796,1134 33680,1135 28.838,1136 42.955,1137 63.732,1138 64.786,1139 65.248,1140 63.634,1141 63.57,1142 80.385,1143 6.449,1144 186.868,1145 59.656,1146 5.694,1147 5.388,1148 6.705,1149 5.33,1150 5.29,1151 7.638,1152 1.72,1153 19.167,1154 5.081,1155 14.877,1156 1.517,1157 1.543,1158 1.554,1159 1.515,1160 1.514,1161 1.914,1162 0.154,1163 4.449,1164 1.42,1165 4.143,1166 4.195,1167 4.118,1168 3.984,1169 8.211,1170 4.009,1171 3.949,1172 3.986,1173 3.908,1174 3.848,1175 8.191,1176 3.855,1177 3.893,1178 3.924,1179 3.836,1180 3.8,1181 6.457,1182 3.81,1183 3.766,1184 3.822,1185 3.66,1186 3.593,1187 5.139,1188 3.598,1189 3.663,1190 3.718,1191 3.551,1192 3.472,1193 4.713,1194 3.485,1195 3.318,1196 3.375,1197 3.247,1198 3.117,1199 4.619,1200 3.137,1201 3.18,1202 3.237,1203 3.057,1204 2.961,1205 4.551,1206 2.974,1207 3.111,1208 3.206,1209 2.952,1210 2.941,1211 4.421,1212 2.91,1213 0.112,1214 0.081,1215 0.164,1216 0.101,1217 0.078,1218 4.694,1219 0.11,1220 3.388,1221 0.02,1222 6.903,1223 0.277,1224 4.226,1225 0.073,1226 3.29,1227 4.638,1228 0.86,1229 11.618,1230 3.081,1231 1.963,1232 1.932,1233 2.072,1234 2.11,1235 1.424,1236 2.097,1237 1.916,1238 1.881,1239 2.036,1240 2.05,1241 1.215,1242 2.044,1243 1.805,1244 1.765,1245 1.933,1246 1.959,1247 1.153,1248 1.958,1249 1.743,1250 1.691,1251 1.902,1252 1.919,1253 1.03,1254 1.913,1255 1.563,1256 1.514,1257 1.681,1258 1.769,1259 0.827,1260 1.752,1261 1.302,1262 1.226,1263 1.513,1264 1.575,1265 0.825,1266 1.547,1267 1.192,1268 1.145,1269 1.513,1270 1.45,1271 0.825,1272 1.449,1273 1.153,1274 1.064,1275 1.461,1276 1.376,1277 0.614,1278 1.429,1279 4.443,1281 5.784,1282 2.398,1283 7.33,1284 4.727,1285 8.966,1286 6.862,1287 10.649,1291 27.724,1294 9.632,1295 5.452,1297 5.55,1299 0.133,1300 4.147,1305 41.646,1306 108.956,1307 244.337,1308 319.802,1309 349.454,1310 349.454,1311 349.454,1312 70.841,1313 8.877,1314 79.54,1315 79.54,1316 35,1317 13.047,1318 4.524,1319 3.585,1320 50.855,1321 165,1322 199,1323 0.146,1324 247.284,1325 427.22,1326 595.133,1327 95746,1328 3.1,1329 25.355,1330 0.685,1331 0.55,1332 23.614,1333 20.355,1334 18.102,1335 0.431,1336 0.3,1337 12.34,1338 17.179,1339 12.188,1340 9.922,1341 17.297,1342 12.579,1343 16.298,1344 0.272,1345 0.158,1346 15.136,1347 9.467,1348 14.481,1349 0.172,1350 0.086,1351 13.694,1352 7.19,1353 12.578,1354 0.109,1355 0.045,1356 11.838,1357 5.225,1358 10.46,1359 0.068,1360 0.024,1361 10.076,1362 3.723,1363 0.228,1364 115.007,1365 0.186,1366 33.415,1367 0.405,1368 204,1369 687.978,1370 229.606,1371 605.465,1372 822.03,1373 570,1374 246,1375 599.072,1376 273.194,1377 590.885,1378 880.01,1379 558,1380 7.357}
{0 CHEMBL591759,1 1.678,2 14.972,3 1.974,4 3.898,5 132.953,6 7.993,7 0.55,8 4.242,9 4.371,10 3.865,11 3.712,12 5.417,13 3.731,14 4.761,15 4.933,16 4.229,17 4.091,18 5.951,19 4.092,20 4.984,21 5.191,22 4.279,23 4.211,24 6.119,25 4.192,26 4.999,27 5.217,28 4.251,29 4.198,30 6.162,31 4.169,32 4.989,33 5.21,34 4.205,35 4.165,36 6.127,37 4.141,38 4.926,39 5.131,40 4.189,41 4.156,42 6.045,43 4.131,44 4.926,45 5.13,46 4.102,47 4.183,48 5.996,49 4.126,50 4.99,51 5.225,52 3.978,53 4.174,54 6.131,55 4.045,56 0.168,57 1.009,58 11.282,59 4.669,60 15.212,61 6.056,62 0.55,63 1.538,64 22.165,65 7.785,66 44.497,67 10.526,68 0.699,69 1.795,70 30.382,71 9.326,72 59.949,73 13.085,74 0.613,75 1.814,76 30.63,77 9.349,78 60.421,79 13.487,80 0.685,81 1.732,82 31.483,83 8.878,84 77.282,85 12.846,86 0.699,87 1.706,88 27.926,89 8.167,90 58.113,91 11.542,92 0.624,93 1.684,94 27.391,95 8.912,96 45.839,97 12.514,98 0.685,99 1.612,100 31.903,101 12.487,102 95.158,103 17.704,104 21,105 56,106 0.267,107 0.628,108 0.734,109 0.78,110 0.801,111 0.816,112 3.615,113 0.865,114 -3.94,115 -3.9,116 -3.7,119 39.3,120 1,125 5,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,163 1,164 1,165 1,166 2,172 8,174 4,175 4,177 1,178 3,179 1,180 5,183 8,185 1,186 5,187 7,192 6,195 4,197 2,198 5,199 14,204 8,209 2,211 1,212 10,217 4,223 1,224 12,227 3,228 1,229 2,231 1,232 5,236 3,237 5,245 10,249 3,250 2,252 1,253 6,254 1,257 1,258 10,263 3,266 2,271 4,275 2540,276 24.61,277 24.61,278 24.61,279 24.61,280 24.61,281 21.829,282 29.745,283 14.458,284 25.192,285 19.702,286 19.702,287 19.702,288 19.702,289 19.702,290 15.326,291 38.043,292 6.802,293 20.6,294 4.253,295 1.981,296 1.316,297 1.029,298 0.898,299 0.799,300 4.322,305 1,306 1183,307 3.742,310 94.922,311 469.363,314 166.099,318 2.312,319 39.104,322 0.75,323 0.67,324 0.83,325 0.7,327 0.67,328 0.5,329 0.59,330 79.5,331 539,332 4.673,333 3.563,334 6.84,335 4.197,336 3.254,337 4.627,338 1.656,339 11.391,340 3.067,341 4.184,342 3.498,343 6.11,344 3.806,345 2.817,346 3.794,347 0.98,348 8.946,349 2.799,350 4.16,351 3.348,352 6.095,353 3.766,354 2.779,355 3.76,356 0.86,357 8.804,358 2.728,359 3.913,360 2.906,361 5.932,362 3.592,363 2.67,364 3.311,365 0.8,366 8.25,367 2.486,368 3.857,369 2.796,370 5.552,371 3.542,372 2.571,373 3.18,374 0.247,375 7.555,376 2.454,377 3.681,378 2.561,379 5.302,380 3.301,381 2.329,382 3.051,384 6.833,385 2.259,386 3.352,387 2.417,388 5.12,389 2.936,390 1.995,391 2.578,393 5.793,394 1.894,395 3.183,396 2.318,397 4.667,398 2.876,399 1.884,400 2.279,402 5.062,403 1.831,404 2.959,405 1.908,406 4.413,407 2.443,408 1.51,409 2.157,411 4.248,412 1.413,413 2.755,414 1.884,415 4.35,416 2.394,417 1.472,418 1.82,420 3.862,421 1.342,422 2.741,423 1.535,424 3.774,425 2.25,426 1.23,427 1.742,428 2.924,429 1.242,430 2.5,431 1.32,432 3.755,433 2.079,434 1.163,435 1.5,436 2.889,437 1.059,438 2.5,439 1.256,440 3.43,441 2,442 1,443 1.5,445 2.275,446 1,447 2.473,448 1,449 3.414,450 2,451 1,452 1.466,454 2.275,455 1,456 2.113,457 1,458 3.414,459 1.952,460 1,461 1.043,463 2.136,464 0.946,465 16.6,466 0.461,467 0.832,468 0.023,469 49.25,470 1.368,471 24.5,472 0.681,473 24.75,474 0.688,475 28.981,476 0.805,477 38.6,478 0.633,479 41.113,480 1.142,481 9.898,482 0.275,483 7.615,484 0.212,485 0.094,487 0.349,493 0.798,494 1.365,495 0.726,496 1.101,497 0.653,498 0.922,499 0.83,500 1.123,501 0.807,502 0.979,503 0.522,504 0.909,505 1.08,506 1.085,507 0.948,508 0.927,509 0.912,510 0.913,511 0.942,512 1.141,513 0.983,514 1.063,515 0.923,516 1.023,517 1.197,518 1.105,519 1.017,520 0.925,521 1.254,522 0.919,523 1.115,524 1.017,525 1.127,526 0.952,527 0.925,528 1.008,529 0.964,530 1.024,531 1.232,532 1.111,533 0.714,534 1.186,535 0.317,536 0.966,537 0.979,538 1.326,539 0.362,540 1.314,541 7,542 0.203,543 4,544 2.132,545 1.84,546 1.615,547 0.847,548 0.368,549 0.345,550 0.317,551 21853,552 64203,553 2.12,554 41,556 18,559 4,561 3,564 1.771,565 2,566 3.789,567 1.578,573 102.355,574 1.678,575 3.949,576 4.615,577 4.902,578 5.033,579 5.131,580 3.256,581 4.67,582 5.138,583 4.037,584 2543.11,585 9.013,586 42107.5,591 361.775,592 1.352,593 5.109,594 0.175,595 0.007,596 0.071,597 0.037,598 0.033,599 0.03,600 0.016,601 0.008,602 0.009,603 0.011,604 0.397,605 0.17,606 0.63,607 0.727,608 199.341,609 -0.039,610 -0.122,611 0.05,612 -0.055,613 -0.069,614 0.005,615 0.108,616 0.005,617 0.074,618 0.023,619 0.131,620 0.028,621 -0.098,622 -0.034,623 -0.003,624 0.047,625 -0.043,626 0.037,627 -0.067,628 -0.081,629 -0.042,630 -0.103,631 -0.033,632 -0.07,633 -0.195,634 -0.081,635 -0.046,636 0.03,637 -0.159,638 0.032,639 -0.155,640 0.082,641 -0.2,642 -0.01,643 -0.105,644 -0.091,645 -0.136,646 0.068,647 -0.329,648 -0.126,649 -0.102,650 -0.233,651 0.371,652 -0.036,653 -0.022,654 -0.244,655 0.336,656 -0.229,657 2.193,658 5.392,659 0.75,660 45.309,661 1.016,662 1.138,663 2.714,664 7.365,665 0.664,666 3.714,667 4.043,668 4.331,669 4.605,670 4.86,671 4.997,672 5.182,673 5.313,674 5.389,675 5.517,676 8.731,677 0.648,678 487.58,679 3.714,680 5.263,681 6.12,682 7.002,683 7.878,684 8.768,685 9.653,686 10.547,687 11.439,688 12.337,689 14.8,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,717 1,726 1,731 61,733 24,734 2,735 40,737 65,738 24,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 1,761 18,762 6,766 2,771 2,775 2,781 25,782 11,783 4,784 12,790 9,794 0.8,795 3,806 1,811 1,812 4,815 1,839 1,840 4,844 1,848 36,849 1,854 5,855 2,856 1,859 1,867 1,870 4.9,873 2,874 1,877 18,878 11.2,879 7.917,880 3.674,881 4.199,882 1.497,883 1.006,884 6.98,885 12.654,886 3.989,887 4.598,888 5.203,889 5.821,890 6.384,891 6.766,892 7.236,893 7.657,894 7.95,895 8.359,896 0.9,897 58,898 13.27,900 5.684,901 7.852,902 24.971,904 20.303,905 2.352,906 84.667,910 247.193,911 129.517,912 140.594,914 61.29,917 129.517,918 308.483,919 140.594,920 8.825,921 84.421,922 75.81,923 134.484,924 21.258,925 6.604,926 247.193,928 247.193,929 270.112,930 61.29,933 214.208,934 85.603,935 11,937 98.882,938 102.127,939 66.775,941 247.193,942 201.884,943 129.517,946 247.193,947 44.882,948 89.536,949 36.022,950 160.961,951 247.193,952 201.884,953 129.517,955 0.581,956 0.341,957 0.184,958 0.102,959 27,960 12,961 0.092,962 6,963 1,964 1.074,965 4.706,966 345.709,967 0.074,968 27,969 174.117,974 23.976,975 10.48,976 5.276,977 1.342,978 200.107,979 13.577,980 18.103,984 3.579,985 1.751,986 68.919,987 578.594,988 53,993 23.578,997 -0.943,999 61.967,1000 69.435,1001 0.283,1002 0.666,1003 0.778,1004 0.827,1005 0.849,1006 0.865,1007 5.228,1008 1.884,1009 6.103,1010 5.793,1011 4.727,1012 5.286,1013 2.318,1014 6.915,1015 4.644,1016 6.435,1017 1.51,1018 7.661,1019 5.062,1020 4.29,1021 5.112,1022 1.305,1023 7.813,1024 4.179,1025 7.745,1026 1.472,1027 9.317,1028 4.248,1029 6.323,1030 7.504,1031 2.68,1032 10.914,1033 6.157,1034 9.091,1035 1.23,1036 11.033,1037 3.862,1038 6.711,1039 8.181,1040 2.354,1041 12.657,1042 6.511,1043 10.469,1044 1.163,1045 12.786,1046 2.924,1047 8.198,1048 10.048,1049 3.349,1050 15.278,1051 7.95,1052 11.872,1053 1,1054 14.567,1055 2.889,1056 8.969,1057 11.135,1058 3.414,1059 17.386,1060 8.677,1061 13.293,1062 1,1063 16.368,1064 2.275,1065 10.237,1066 12.788,1067 4.193,1068 19.854,1069 9.897,1070 3.254,1071 1,1072 18.184,1073 2.275,1074 11.195,1075 14.088,1076 4.466,1077 22.13,1078 10.804,1079 2.817,1080 11.391,1081 20.013,1082 2.136,1083 12.376,1084 15.652,1085 5.124,1086 24.554,1087 11.934,1088 2.779,1089 8.946,1090 21.852,1091 4.627,1092 13.428,1093 17.061,1094 5.504,1095 26.908,1096 12.93,1097 2.67,1098 8.804,1099 23.701,1100 3.794,1101 14.579,1102 18.592,1103 6.095,1104 29.325,1105 14.027,1106 2.571,1107 8.25,1108 25.557,1109 3.76,1110 15.681,1111 20.058,1112 6.531,1113 31.717,1114 15.068,1115 2.329,1116 7.555,1117 27.42,1118 3.311,1119 16.826,1120 21.58,1121 7.085,1122 34.136,1123 16.156,1124 1.995,1125 6.833,1126 29.29,1127 3.18,1128 17.955,1129 23.075,1130 7.551,1131 36.547,1132 17.221,1133 20460,1134 35238,1135 27.046,1136 40.506,1137 60.113,1138 61.735,1139 61.566,1140 59.85,1141 59.88,1142 78.601,1143 9.086,1144 172.191,1145 57.426,1146 5.673,1147 5.563,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 2.912,1153 18.794,1154 5.067,1155 17.022,1156 1.503,1157 1.543,1158 1.539,1159 1.496,1160 1.497,1161 1.965,1162 0.227,1163 4.305,1164 1.436,1165 4.111,1166 4.167,1167 4.094,1168 3.944,1169 7.438,1170 3.969,1171 3.945,1172 3.978,1173 3.896,1174 3.853,1175 7.43,1176 3.858,1177 3.872,1178 3.906,1179 3.819,1180 3.762,1181 5.22,1182 3.778,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.904,1188 3.519,1189 3.5,1190 3.555,1191 3.45,1192 3.264,1193 4.789,1194 3.285,1195 3.422,1196 3.488,1197 3.304,1198 3.192,1199 4.685,1200 3.219,1201 3.271,1202 3.327,1203 3.187,1204 3.013,1205 4.628,1206 3.05,1207 3.111,1208 3.206,1209 2.994,1210 2.941,1211 4.509,1212 2.91,1213 0.117,1214 0.089,1215 0.171,1216 0.105,1217 0.081,1218 4.673,1219 0.116,1220 3.563,1221 0.041,1222 6.84,1223 0.285,1224 4.197,1225 0.077,1226 3.254,1227 4.627,1228 1.656,1229 11.391,1230 3.067,1231 1.948,1232 1.918,1233 2.03,1234 2.088,1235 1.217,1236 2.067,1237 1.906,1238 1.881,1239 2.003,1240 2.017,1241 1.111,1242 2.012,1243 1.785,1244 1.741,1245 1.931,1246 1.952,1247 1.086,1248 1.951,1249 1.633,1250 1.569,1251 1.86,1252 1.886,1253 1.041,1254 1.875,1255 1.475,1256 1.403,1257 1.644,1258 1.723,1259 0.825,1260 1.703,1261 1.32,1262 1.28,1263 1.513,1264 1.622,1265 0.748,1266 1.575,1267 1.153,1268 1.086,1269 1.445,1270 1.457,1271 0.373,1272 1.429,1273 1.13,1274 1.064,1275 1.304,1276 1.376,1277 0.259,1278 1.418,1279 4.394,1281 5.72,1282 2.398,1283 7.241,1284 4.727,1285 8.847,1286 6.843,1287 10.501,1289 1.988,1293 5.242,1295 3.321,1296 5.502,1297 5.487,1300 2.141,1305 39.551,1306 102.355,1307 240.914,1308 281.51,1309 299.02,1310 307.02,1311 313.02,1312 61.979,1313 8.455,1314 153.18,1315 153.18,1316 29,1317 12.862,1318 4.644,1319 3.807,1320 54.785,1321 189,1322 204,1323 0.139,1324 242.028,1325 412.05,1326 582.309,1327 63809,1329 25.07,1330 0.696,1331 0.546,1332 25.07,1333 19.64,1334 17.512,1335 0.438,1336 0.288,1337 11.317,1338 16.617,1339 11.135,1340 9.182,1341 17.512,1342 11.538,1343 15.749,1344 0.281,1345 0.145,1346 15.749,1347 8.146,1348 13.369,1349 0.178,1350 0.077,1351 13.369,1352 5.783,1353 11.27,1354 0.114,1355 0.039,1356 11.27,1357 3.894,1358 9.141,1359 0.071,1360 0.02,1361 9.141,1362 2.614,1363 0.225,1364 111.209,1365 0.192,1366 33.443,1367 0.364,1368 192,1369 615.055,1370 217.208,1371 589.907,1372 810.26,1373 552,1374 227,1375 609.523,1376 252.907,1377 609.095,1378 893.91,1379 574,1380 8.62}
{0 CHEMBL591760,1 1.66,2 15.054,3 2.352,4 5.531,5 137.371,6 7.838,7 0.537,8 4.283,9 4.413,10 3.889,11 3.754,12 5.444,13 3.767,14 4.808,15 4.984,16 4.263,17 4.137,18 5.978,19 4.132,20 5.044,21 5.253,22 4.317,23 4.269,24 6.165,25 4.244,26 5.091,27 5.323,28 4.302,29 4.265,30 6.223,31 4.228,32 5.052,33 5.276,34 4.244,35 4.222,36 6.18,37 4.194,38 4.967,39 5.169,40 4.242,41 4.212,42 6.081,43 4.184,44 4.993,45 5.2,46 4.174,47 4.257,48 6.056,49 4.202,50 5.068,51 5.288,52 4.07,53 4.296,54 6.198,55 4.165,56 0.156,57 1.047,58 12.276,59 4.993,60 15.164,61 6.614,62 0.537,63 1.606,64 23.972,65 8.342,66 46.658,67 11.523,68 0.695,69 1.904,70 32.714,71 9.903,72 59.98,73 14.188,74 0.643,75 1.948,76 35.194,77 10.343,78 67.001,79 15.458,80 0.712,81 1.843,82 34.057,83 9.197,84 81.294,85 13.655,86 0.661,87 1.794,88 29.363,89 8.735,90 56.62,91 12.556,92 0.662,93 1.814,94 30.023,95 9.329,96 48.948,97 13.38,98 0.645,99 1.794,100 33.484,101 13.781,102 95.451,103 19.283,104 30,105 58,106 0.262,107 0.625,108 0.736,109 0.765,110 0.785,111 0.8,112 3.642,113 0.873,114 -4.15,115 -4.1,116 -3.87,119 39.1,120 2,125 4,127 1,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,163 1,164 1,165 1,166 2,172 8,174 4,175 5,177 1,178 3,179 1,180 5,183 9,185 1,186 5,187 8,192 6,195 4,197 2,198 5,199 16,204 8,209 2,211 1,212 10,217 4,223 1,224 14,227 3,228 1,229 2,231 1,232 6,236 3,237 5,245 12,249 3,250 2,252 1,253 6,254 1,257 1,258 12,263 4,266 2,271 4,275 2757,276 24.947,277 24.947,278 24.947,279 24.947,280 24.947,281 22.19,282 31.326,283 14.618,284 25.508,285 20.248,286 20.248,287 20.248,288 20.248,289 20.248,290 15.909,291 40.543,292 6.95,293 21.152,294 4.34,295 2.041,296 1.336,297 1.149,298 1.024,299 0.93,300 4.347,306 1218,307 4,310 97.466,311 483.665,314 170.88,318 2.323,319 39.802,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.56,330 81.5,331 557,332 4.689,333 3.563,334 6.887,335 4.221,336 3.278,337 4.637,338 1.656,339 11.538,340 3.09,341 4.188,342 3.498,343 6.257,344 3.809,345 2.827,346 3.797,347 0.98,348 9.27,349 2.799,350 4.165,351 3.369,352 6.107,353 3.78,354 2.792,355 3.76,356 0.86,357 8.928,358 2.74,359 3.965,360 2.986,361 5.932,362 3.674,363 2.739,364 3.354,365 0.8,366 8.25,367 2.553,368 3.862,369 2.817,370 5.552,371 3.542,372 2.572,373 3.188,374 0.247,375 7.556,376 2.48,377 3.681,378 2.564,379 5.408,380 3.304,381 2.334,382 3.051,384 6.836,385 2.26,386 3.359,387 2.462,388 5.301,389 3.111,390 2.164,391 2.578,393 6.476,394 2.042,395 3.308,396 2.354,397 4.671,398 2.891,399 1.889,400 2.41,402 5.062,403 1.877,404 2.961,405 2.093,406 4.609,407 2.6,408 1.689,409 2.158,411 4.439,412 1.534,413 2.874,414 1.884,415 4.401,416 2.435,417 1.479,418 1.943,420 4.212,421 1.408,422 2.751,423 1.535,424 3.778,425 2.25,426 1.233,427 1.743,428 2.933,429 1.242,430 2.506,431 1.478,432 3.76,433 2.1,434 1.213,435 1.507,436 2.898,437 1.068,438 2.5,439 1.256,440 3.671,441 2.027,442 1.041,443 1.5,445 2.575,446 1.024,447 2.5,448 1.057,449 3.414,450 2,451 1,452 1.5,454 2.275,455 1,456 2.312,457 1,458 3.414,459 2,460 1,461 1.293,463 2.275,464 1,465 17.1,466 0.462,467 0.959,468 0.026,469 49.75,470 1.345,471 24.5,472 0.662,473 25.25,474 0.682,475 31.748,476 0.858,477 39.9,478 0.623,479 42.076,480 1.137,481 9.878,482 0.267,483 8.007,484 0.216,485 0.121,487 0.368,493 0.792,494 1.371,495 0.742,496 1.115,497 0.663,498 0.942,499 0.807,500 1.147,501 0.787,502 0.988,503 0.51,504 0.907,505 1.094,506 1.113,507 0.979,508 0.956,509 0.902,510 0.944,511 0.913,512 1.109,513 0.924,514 0.999,515 0.879,516 0.956,517 1.258,518 1.074,519 1.06,520 0.895,521 1.279,522 0.913,523 1.09,524 1.089,525 1.103,526 0.998,527 0.91,528 1.028,529 1.032,530 0.971,531 1.24,532 1.033,533 0.727,534 1.127,535 0.317,536 1.049,537 1.053,538 1.426,539 0.372,540 1.41,541 7.5,542 0.203,543 4.222,544 2.285,545 1.965,546 1.642,547 1.05,548 0.493,549 0.378,550 0.368,551 23124,552 66440,553 2.1,554 42.2,556 17,559 4,561 6,564 1.778,565 1.965,566 3.784,567 1.552,573 106.237,574 1.66,575 3.959,576 4.664,577 4.851,578 4.976,579 5.07,580 3.25,581 4.777,582 5.177,583 4.045,584 2694.09,585 9.096,586 45351.3,591 384,592 1.414,593 5.14,594 0.183,595 0.007,596 0.073,597 0.038,598 0.034,599 0.03,600 0.019,601 0.01,602 0.009,603 0.011,604 0.413,605 0.17,606 0.63,607 0.759,608 206.26,609 -0.029,610 -0.119,611 0.052,612 -0.054,613 -0.073,614 0.004,615 0.13,616 -0.017,617 0.105,618 0.024,619 0.147,620 0.043,621 -0.104,622 -0.047,623 -0.033,624 0.016,625 -0.045,626 0.003,627 -0.039,628 -0.069,629 0.038,630 -0.041,631 -0.005,632 0.007,633 -0.227,634 -0.029,635 -0.086,636 0.045,637 -0.18,638 0.023,639 -0.13,640 0.027,641 -0.179,642 -0.043,643 -0.092,644 -0.105,645 -0.174,646 0.146,647 -0.332,648 -0.059,649 -0.111,650 -0.185,651 0.334,652 -0.075,653 -0.135,654 -0.328,655 0.297,656 -0.335,657 2.193,658 5.423,659 0.73,660 47.014,661 1.013,662 1.138,663 2.922,664 8.535,665 0.66,666 3.738,667 4.078,668 4.357,669 4.635,670 4.89,671 5.043,672 5.231,673 5.371,674 5.455,675 5.591,676 8.801,677 0.642,678 501.61,679 3.738,680 5.293,681 6.151,682 7.036,683 7.913,684 8.806,685 9.693,686 10.592,687 11.485,688 12.388,689 14.1,695 1,696 3,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,717 1,726 1,731 64,733 24,734 2,735 41,737 68,738 25,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 2,758 1,761 18,762 7,766 2,771 2,775 2,781 27,782 11,783 4,784 12,790 9,794 0.8,795 3,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 37,849 1,854 4,855 2,856 1,858 1,859 1,867 1,870 4.7,873 2,874 1,877 18.833,878 12.033,879 8.028,880 3.808,881 4.197,882 1.493,883 0.995,884 7.215,885 12.712,886 4.007,887 4.618,888 5.22,889 5.84,890 6.407,891 6.803,892 7.273,893 7.699,894 8.002,895 8.42,896 0.9,897 60,898 13.649,900 5.848,901 7.838,902 25.728,904 20.985,905 2.338,906 86.5,910 270.735,911 136.237,912 140.594,914 61.29,917 136.237,918 332.025,919 140.594,920 17.65,921 82.315,922 75.81,923 134.484,924 21.258,925 6.604,926 270.735,928 270.735,929 276.831,930 61.29,933 202.437,934 120.916,935 11,937 105.601,938 102.127,939 66.775,941 270.735,942 201.884,943 136.237,946 270.735,947 42.777,948 98.361,949 36.022,950 160.961,951 270.735,952 201.884,953 136.237,955 0.586,956 0.338,957 0.181,958 0.1,959 28,960 13,961 0.088,962 6,963 1,964 1.074,965 4.743,966 360.529,967 0.074,968 27,969 178.75,974 24.932,975 10.707,976 5.504,977 1.337,978 200.107,979 13.593,980 18.31,984 3.569,985 1.792,986 68.919,987 608.856,988 54,993 23.623,997 -0.944,999 64.851,1000 72.85,1001 0.277,1002 0.66,1003 0.777,1004 0.809,1005 0.829,1006 0.845,1007 5.255,1008 1.889,1009 6.142,1010 6.476,1011 4.762,1012 5.306,1013 2.318,1014 6.961,1015 4.68,1016 6.465,1017 1.689,1018 7.707,1019 5.062,1020 4.369,1021 5.147,1022 1.305,1023 7.879,1024 4.259,1025 7.776,1026 1.479,1027 9.37,1028 4.439,1029 6.365,1030 7.52,1031 2.68,1032 10.982,1033 6.199,1034 9.122,1035 1.233,1036 11.092,1037 4.212,1038 6.781,1039 8.204,1040 2.354,1041 12.742,1042 6.58,1043 10.502,1044 1.213,1045 12.853,1046 2.933,1047 8.252,1048 10.064,1049 3.349,1050 15.371,1051 8.001,1052 11.905,1053 1.041,1054 14.64,1055 2.898,1056 9.041,1057 11.156,1058 3.414,1059 17.494,1060 8.744,1061 13.327,1062 1,1063 16.447,1064 2.575,1065 10.304,1066 12.806,1067 4.193,1068 19.972,1069 9.958,1070 3.278,1071 1,1072 18.27,1073 2.275,1074 11.275,1075 14.109,1076 4.466,1077 22.261,1078 10.876,1079 2.827,1080 11.538,1081 20.105,1082 2.275,1083 12.455,1084 15.673,1085 5.124,1086 24.696,1087 12.006,1088 2.792,1089 9.27,1090 21.951,1091 4.637,1092 13.518,1093 17.085,1094 5.504,1095 27.063,1096 13.01,1097 2.739,1098 8.928,1099 23.806,1100 3.797,1101 14.672,1102 18.617,1103 6.095,1104 29.491,1105 14.109,1106 2.572,1107 8.25,1108 25.669,1109 3.76,1110 15.782,1111 20.086,1112 6.531,1113 31.895,1114 15.157,1115 2.334,1116 7.556,1117 27.539,1118 3.354,1119 16.932,1120 21.609,1121 7.085,1122 34.325,1123 16.249,1124 2.164,1125 6.836,1126 29.415,1127 3.188,1128 18.068,1129 23.106,1130 7.551,1131 36.748,1132 17.321,1133 21735,1134 37025,1135 27.452,1136 42.267,1137 62.434,1138 63.974,1139 63.687,1140 61.923,1141 61.966,1142 80.699,1143 9.086,1144 179.299,1145 59.483,1146 5.689,1147 5.563,1148 6.689,1149 5.324,1150 5.278,1151 7.637,1152 2.912,1153 19.027,1154 5.09,1155 19.231,1156 1.523,1157 1.56,1158 1.553,1159 1.51,1160 1.511,1161 1.968,1162 0.222,1163 4.373,1164 1.451,1165 4.116,1166 4.173,1167 4.1,1168 3.948,1169 7.438,1170 3.974,1171 3.946,1172 3.979,1173 3.897,1174 3.853,1175 7.43,1176 3.858,1177 3.874,1178 3.908,1179 3.821,1180 3.769,1181 5.221,1182 3.783,1183 3.744,1184 3.807,1185 3.631,1186 3.517,1187 4.904,1188 3.533,1189 3.543,1190 3.608,1191 3.459,1192 3.365,1193 4.789,1194 3.364,1195 3.466,1196 3.514,1197 3.369,1198 3.203,1199 4.685,1200 3.252,1201 3.278,1202 3.333,1203 3.206,1204 3.02,1205 4.628,1206 3.059,1207 3.111,1208 3.206,1209 3.039,1210 2.941,1211 4.511,1212 2.91,1213 0.114,1214 0.087,1215 0.168,1216 0.103,1217 0.08,1218 4.689,1219 0.113,1220 3.563,1221 0.04,1222 6.887,1223 0.281,1224 4.221,1225 0.075,1226 3.278,1227 4.637,1228 1.656,1229 11.538,1230 3.09,1231 1.949,1232 1.918,1233 2.032,1234 2.091,1235 1.22,1236 2.07,1237 1.906,1238 1.881,1239 2.003,1240 2.018,1241 1.142,1242 2.012,1243 1.792,1244 1.747,1245 1.941,1246 1.952,1247 1.1,1248 1.952,1249 1.678,1250 1.61,1251 1.914,1252 1.919,1253 1.084,1254 1.917,1255 1.523,1256 1.467,1257 1.655,1258 1.745,1259 0.825,1260 1.725,1261 1.321,1262 1.281,1263 1.513,1264 1.623,1265 0.763,1266 1.575,1267 1.153,1268 1.086,1269 1.445,1270 1.457,1271 0.469,1272 1.429,1273 1.13,1274 1.064,1275 1.417,1276 1.376,1277 0.373,1278 1.418,1279 4.419,1281 5.753,1282 2.398,1283 7.276,1284 4.727,1285 8.884,1286 6.862,1287 10.541,1289 4.059,1293 5.248,1295 2.667,1296 5.512,1297 5.504,1299 0.086,1300 2.145,1305 41.078,1306 106.237,1307 253.397,1308 298.49,1309 310.49,1310 318.49,1311 324.49,1312 66.64,1313 8.515,1314 153.18,1315 153.18,1316 29,1317 12.91,1318 4.644,1319 3.807,1320 57.051,1321 195,1322 216,1323 0.14,1324 251.621,1325 429.35,1326 605.714,1327 67871,1329 25.941,1330 0.701,1331 0.554,1332 25.941,1333 20.51,1334 17.885,1335 0.436,1336 0.291,1337 11.709,1338 16.996,1339 11.454,1340 9.483,1341 17.885,1342 11.928,1343 16.489,1344 0.284,1345 0.153,1346 16.489,1347 8.868,1348 13.608,1349 0.177,1350 0.077,1351 13.608,1352 5.933,1353 11.519,1354 0.113,1355 0.039,1356 11.519,1357 4.002,1358 9.308,1359 0.071,1360 0.02,1361 9.308,1362 2.682,1363 0.226,1364 113.407,1365 0.191,1366 34.13,1367 0.368,1368 198,1369 621.055,1370 223.541,1371 596.876,1372 820.36,1373 558,1374 234,1375 618.875,1376 260.24,1377 619.508,1378 908.63,1379 583,1380 8.444}
{0 CHEMBL591761,1 1.61,2 16.625,3 3.2,4 10.237,5 152.293,6 7.448,7 0.489,8 4.412,9 4.542,10 3.989,11 3.87,12 5.475,13 3.875,14 4.98,15 5.166,16 4.352,17 4.263,18 6.015,19 4.25,20 5.213,21 5.437,22 4.399,23 4.417,24 6.201,25 4.369,26 5.24,27 5.481,28 4.378,29 4.439,30 6.235,31 4.369,32 5.234,33 5.47,34 4.349,35 4.41,36 6.259,37 4.349,38 5.161,39 5.382,40 4.321,41 4.355,42 6.177,43 4.305,44 5.112,45 5.334,46 4.239,47 4.34,48 6.106,49 4.273,50 5.144,51 5.37,52 4.124,53 4.369,54 6.107,55 4.24,56 0.111,57 1.174,58 15.406,59 5.993,60 11.163,61 8.292,62 0.585,63 1.84,64 30.982,65 9.693,66 40.45,67 13.948,68 0.796,69 2.198,70 41.135,71 11.873,72 55.294,73 17.913,74 0.549,75 2.252,76 41.929,77 13.122,78 55.429,79 20.097,80 0.637,81 2.167,82 42.271,83 12.453,84 71.472,85 19.006,86 0.638,87 2.065,88 38.625,89 11.174,90 56.721,91 16.882,92 0.737,93 1.988,94 36.462,95 10.711,96 49.948,97 16.224,98 0.485,99 1.948,100 37.3,101 14.461,102 55.92,103 20.697,104 11,105 63,106 0.248,107 0.564,108 0.677,109 0.719,110 0.769,111 0.794,112 3.717,113 0.908,114 -4.42,115 -4.35,116 -4.1,119 38.4,120 2,125 8,127 1,142 8,143 1,144 3,146 1,147 1,149 1,159 1,161 1,166 2,172 6,174 4,175 6,178 2,179 1,180 4,183 7,186 6,187 8,192 4,195 4,198 5,199 14,204 5,211 1,212 12,215 1,217 4,223 1,224 15,227 2,229 1,232 6,236 4,237 5,240 1,245 12,249 2,250 2,253 5,258 10,263 6,266 2,271 2,275 3338,276 27.515,277 27.515,278 27.515,279 27.515,280 27.515,281 24.928,282 38.957,283 16.335,284 28.368,285 22.269,286 22.269,287 22.269,288 22.269,289 22.269,290 18.182,291 53.054,292 7.806,293 23.615,294 4.58,295 2.531,296 1.795,297 1.521,298 1.199,299 1.034,300 4.434,306 1485,307 3.674,310 107.975,311 684.131,314 189.047,318 2.613,319 34.84,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 87.5,331 665,332 4.689,333 3.562,334 6.887,335 4.221,336 3.278,337 4.637,338 1.656,339 11.538,340 3.09,341 4.184,342 3.369,343 6.257,344 3.828,345 2.877,346 3.796,347 0.86,348 9.27,349 2.75,350 4.146,351 3.121,352 6.143,353 3.787,354 2.818,355 3.7,356 0.86,357 9.057,358 2.724,359 3.964,360 2.986,361 6.107,362 3.675,363 2.742,364 3.353,365 0.8,366 8.928,367 2.552,368 3.854,369 2.816,370 5.562,371 3.557,372 2.602,373 3.171,374 0.8,375 7.614,376 2.474,377 3.673,378 2.541,379 5.408,380 3.328,381 2.369,382 2.984,383 0.247,384 6.906,385 2.266,386 3.36,387 2.46,388 5.316,389 3.113,390 2.167,391 2.561,393 6.477,394 2.043,395 3.309,396 2.355,397 4.698,398 2.937,399 1.959,400 2.409,402 5.161,403 1.907,404 2.975,405 2.261,406 4.612,407 2.681,408 1.741,409 2.16,411 4.472,412 1.625,413 2.93,414 2.093,415 4.441,416 2.6,417 1.689,418 1.993,420 4.406,421 1.534,422 2.872,423 1.553,424 4.369,425 2.428,426 1.473,427 1.941,428 4.171,429 1.401,430 2.506,431 1.534,432 3.77,433 2.101,434 1.218,435 1.508,436 2.922,437 1.069,438 2.5,439 1.478,440 3.671,441 2.038,442 1.149,443 1.5,445 2.693,446 1.026,447 2.5,448 1.256,449 3.502,450 2.024,451 1.041,452 1.5,454 2.575,455 1.006,456 2.312,457 1.256,458 3.414,459 2,460 1,461 1.293,463 2.275,464 1,465 18.6,466 0.465,467 0.883,468 0.022,469 51.5,470 1.288,471 23.5,472 0.588,473 28,474 0.7,475 37.041,476 0.926,477 43.8,478 0.6,479 42.975,480 1.074,481 10.096,482 0.252,483 9.451,484 0.236,485 0.072,487 0.333,493 0.819,494 1.511,495 0.765,496 1.234,497 0.641,498 1.024,499 1.122,500 1.162,501 0.898,502 0.963,503 0.692,504 0.909,505 1.131,506 1.031,507 1.009,508 0.887,509 0.932,510 0.917,511 0.735,512 1.106,513 0.909,514 1.043,515 0.802,516 1,517 1.04,518 1.061,519 0.989,520 0.969,521 1.383,522 0.957,523 1.177,524 1.123,525 1.079,526 1.016,527 1.248,528 1.017,529 1.041,530 0.942,531 1.19,532 0.978,533 0.844,534 1.067,535 0.483,536 1.117,537 1.075,538 1.387,539 0.721,540 1.352,541 7,542 0.203,543 4.222,544 2.222,545 1.836,546 1.656,547 1.128,548 0.477,549 0.411,550 0.372,551 31178,552 77237,553 2.166,554 45.2,556 25,559 2,561 6,564 1.795,565 2.069,566 3.922,567 0.199,573 117.502,574 1.61,575 3.658,576 4.395,577 4.669,578 4.991,579 5.155,580 3.336,581 4.803,582 5.292,583 4.181,584 3261.48,585 9.312,586 59307.6,591 451.857,592 1.249,593 5.272,594 0.156,595 0.006,596 0.067,597 0.034,598 0.029,599 0.027,600 0.019,601 0.009,602 0.009,603 0.01,604 0.366,605 0.17,606 0.63,607 0.546,608 229.71,609 0.018,610 -0.24,611 0.085,612 -0.135,613 -0.007,614 -0.034,615 0.005,616 -0.03,617 0.05,618 0.037,619 0.08,620 0.04,621 -0.088,622 0.04,623 -0.036,624 0.079,625 -0.033,626 0.033,627 0.021,628 -0.051,629 0.039,630 -0.051,631 0.063,632 -0.009,633 -0.101,634 -0.022,635 -0.018,636 0.008,637 -0.103,638 0.016,639 -0.148,640 -0.045,641 -0.112,642 -0.047,643 -0.121,644 -0.066,645 -0.1,646 0.172,647 -0.24,648 -0.01,649 -0.089,650 -0.119,651 0.174,652 -0.104,653 -0.159,654 -0.305,655 0.082,656 -0.298,657 1.981,658 5.655,659 0.825,660 54.373,661 1.007,662 1.138,663 3.191,664 10.18,665 0.651,666 3.829,667 4.159,668 4.454,669 4.745,670 5.004,671 5.13,672 5.333,673 5.476,674 5.568,675 5.69,676 9.649,677 0.625,678 543.7,679 3.829,680 5.38,681 6.24,682 7.124,683 8.001,684 8.892,685 9.779,686 10.675,687 11.568,688 12.468,689 12.3,695 2,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 2,731 73,733 23,734 2,735 45,737 78,738 28,739 16,740 4,741 8,746 6,747 7,751 1,752 2,758 1,761 17,762 11,766 1,771 1,775 1,781 33,782 11,783 2,784 12,790 9,794 0.833,795 3,806 1,811 1,812 5,815 1,839 2,840 5,844 2,848 40,854 8,855 2,856 2,858 1,859 2,867 1,870 4.1,873 1,874 2,877 19.333,878 13.65,879 8.694,880 4.537,881 4.23,882 1.473,883 0.996,884 8.001,885 13.176,886 4.06,887 4.647,888 5.246,889 5.868,890 6.433,891 6.818,892 7.3,893 7.735,894 8.043,895 8.444,896 0.909,897 65,898 14.804,900 6.318,901 7.633,902 28.583,904 23.614,905 2.133,906 85.333,910 364.904,911 144.5,912 110.821,914 47.145,917 144.5,918 412.049,919 110.821,920 17.65,921 62.814,922 75.81,923 115.635,924 23.953,925 6.604,926 364.904,928 364.904,929 255.321,930 47.145,933 296.605,934 95.772,935 22,937 86.1,938 100.118,939 66.775,941 364.904,942 157.966,943 144.5,946 364.904,947 51.039,948 101.486,949 36.022,950 113.919,951 364.904,952 157.966,953 144.5,955 0.581,956 0.339,957 0.188,958 0.105,959 31,960 13,961 0.077,962 6,963 1,964 1.061,965 5.108,966 403.225,967 0.061,968 33,969 194.877,974 26.752,975 11.964,976 6.02,977 1.384,978 156.189,979 15.332,980 18.459,984 4.672,985 1.818,986 36.022,987 667.37,988 57,993 12.655,997 -0.314,999 73.501,1000 83.095,1001 0.26,1002 0.591,1003 0.71,1004 0.754,1005 0.806,1006 0.833,1007 5.311,1008 1.959,1009 6.217,1010 6.477,1011 4.844,1012 5.335,1013 2.368,1014 7.029,1015 4.736,1016 6.497,1017 1.741,1018 7.771,1019 5.161,1020 4.369,1021 5.112,1022 1.404,1023 7.923,1024 4.22,1025 7.797,1026 1.689,1027 9.426,1028 4.472,1029 6.435,1030 7.519,1031 2.66,1032 11.043,1033 6.222,1034 9.134,1035 1.473,1036 11.144,1037 4.406,1038 6.804,1039 8.176,1040 2.382,1041 12.8,1042 6.544,1043 10.507,1044 1.218,1045 12.901,1046 4.171,1047 8.313,1048 10.049,1049 3.324,1050 15.431,1051 7.997,1052 11.905,1053 1.149,1054 14.687,1055 2.922,1056 9.077,1057 11.132,1058 3.421,1059 17.552,1060 8.707,1061 13.324,1062 1.041,1063 16.495,1064 2.693,1065 10.358,1066 12.788,1067 4.179,1068 20.026,1069 9.934,1070 3.278,1071 1,1072 18.318,1073 2.575,1074 11.317,1075 14.089,1076 4.467,1077 22.31,1078 10.835,1079 2.877,1080 11.538,1081 20.154,1082 2.275,1083 12.506,1084 15.656,1085 5.118,1086 24.74,1087 11.97,1088 2.818,1089 9.27,1090 22,1091 4.637,1092 13.562,1093 17.069,1094 5.504,1095 27.101,1096 12.965,1097 2.742,1098 9.057,1099 23.855,1100 3.796,1101 14.719,1102 18.603,1103 6.093,1104 29.523,1105 14.066,1106 2.602,1107 8.928,1108 25.717,1109 3.7,1110 15.825,1111 20.073,1112 6.531,1113 31.922,1114 15.111,1115 2.369,1116 7.614,1117 27.587,1118 3.353,1119 16.975,1120 21.598,1121 7.084,1122 34.348,1123 16.203,1124 2.167,1125 6.906,1126 29.462,1127 3.171,1128 18.108,1129 23.097,1130 7.551,1131 36.767,1132 17.274,1133 28451,1134 45008,1135 30.917,1136 47.552,1137 67.996,1138 69.289,1139 68.896,1140 67.721,1141 67.747,1142 85.393,1143 10.446,1144 194.101,1145 64.106,1146 5.689,1147 5.562,1148 6.689,1149 5.324,1150 5.278,1151 7.637,1152 2.912,1153 19.027,1154 5.09,1155 15.294,1156 1.511,1157 1.54,1158 1.531,1159 1.505,1160 1.505,1161 1.898,1162 0.232,1163 4.313,1164 1.425,1165 4.118,1166 4.174,1167 4.1,1168 3.949,1169 7.431,1170 3.975,1171 3.961,1172 4.003,1173 3.904,1174 3.85,1175 5.221,1176 3.857,1177 3.878,1178 3.916,1179 3.823,1180 3.769,1181 4.801,1182 3.783,1183 3.744,1184 3.807,1185 3.632,1186 3.517,1187 4.761,1188 3.533,1189 3.69,1190 3.741,1191 3.58,1192 3.483,1193 4.628,1194 3.496,1195 3.537,1196 3.605,1197 3.422,1198 3.365,1199 4.584,1200 3.363,1201 3.402,1202 3.447,1203 3.32,1204 3.136,1205 4.511,1206 3.184,1207 3.119,1208 3.206,1209 3.058,1210 2.941,1211 4.162,1212 2.921,1213 0.104,1214 0.079,1215 0.153,1216 0.094,1217 0.073,1218 4.689,1219 0.103,1220 3.562,1221 0.037,1222 6.887,1223 0.256,1224 4.221,1225 0.069,1226 3.278,1227 4.637,1228 1.656,1229 11.538,1230 3.09,1231 1.95,1232 1.918,1233 2.037,1234 2.091,1235 1.236,1236 2.071,1237 1.912,1238 1.879,1239 2.022,1240 2.05,1241 1.22,1242 2.044,1243 1.792,1244 1.748,1245 1.942,1246 1.961,1247 1.142,1248 1.957,1249 1.678,1250 1.61,1251 1.914,1252 1.921,1253 1.097,1254 1.917,1255 1.634,1256 1.58,1257 1.85,1258 1.856,1259 1.019,1260 1.855,1261 1.523,1262 1.466,1263 1.654,1264 1.739,1265 0.825,1266 1.722,1267 1.253,1268 1.211,1269 1.513,1270 1.548,1271 0.825,1272 1.503,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.763,1278 1.429,1279 4.511,1281 5.838,1282 2.398,1283 7.361,1284 4.727,1285 8.97,1286 6.862,1287 10.626,1289 4.1,1295 5.943,1296 5.79,1297 10.95,1299 0.103,1300 4.442,1305 45.659,1306 117.502,1307 267.06,1308 320.838,1309 340.838,1310 364.347,1311 376.347,1312 61.597,1313 8.947,1314 122.56,1315 122.56,1316 35,1317 12.992,1318 4.585,1319 3.7,1320 57.691,1321 235,1322 250,1323 0.117,1324 275.932,1325 471.53,1326 665.033,1327 123033,1329 27.476,1330 0.687,1331 0.568,1332 27.476,1333 22.708,1334 19.547,1335 0.434,1336 0.303,1337 13.355,1338 18.521,1339 13.087,1340 10.766,1341 19.547,1342 13.618,1343 17.643,1344 0.28,1345 0.16,1346 17.643,1347 10.073,1348 14.982,1349 0.176,1350 0.082,1351 14.982,1352 7.007,1353 12.929,1354 0.113,1355 0.043,1356 12.929,1357 4.862,1358 10.641,1359 0.072,1360 0.022,1361 10.641,1362 3.289,1363 0.191,1364 124.087,1365 0.18,1366 36.613,1367 0.303,1368 216,1369 639.388,1370 243.593,1371 607.299,1372 845.62,1373 574,1374 256,1375 640.847,1376 285.346,1377 639.095,1378 942.79,1379 603,1380 7.602}
{0 CHEMBL591807,1 1.582,2 14.216,3 2.64,4 6.97,5 138.973,6 7.377,7 0.524,8 4.342,9 4.462,10 3.915,11 3.818,12 5.394,13 3.819,14 4.918,15 5.104,16 4.276,17 4.227,18 5.914,19 4.208,20 5.154,21 5.369,22 4.337,23 4.395,24 6.091,25 4.333,26 5.246,27 5.499,28 4.297,29 4.422,30 6.123,31 4.335,32 5.218,33 5.462,34 4.323,35 4.425,36 6.139,37 4.344,38 5.205,39 5.437,40 4.318,41 4.415,42 6.121,43 4.347,44 5.172,45 5.388,46 4.283,47 4.416,48 6.08,49 4.331,50 5.259,51 5.5,52 4.219,53 4.434,54 6.127,55 4.326,56 0.047,57 1.067,58 14.498,59 5.796,60 11.13,61 7.885,62 0.502,63 1.732,64 29.291,65 9.339,66 34.221,67 13.167,68 0.521,69 2.103,70 38.011,71 12.468,72 45.182,73 18.198,74 0.604,75 2.235,76 43.298,77 13.511,78 49.243,79 20.488,80 0.555,81 2.204,82 41.473,83 13.074,84 58.866,85 20.107,86 0.666,87 2.209,88 40.613,89 11.888,90 48.584,91 18.137,92 0.537,93 2.114,94 38.262,95 12.913,96 41.821,97 19.014,98 0.619,99 2.13,100 43.868,101 15.039,102 53.951,103 21.53,104 6,105 59,106 0.247,107 0.59,108 0.791,109 0.845,110 0.845,111 0.845,112 3.642,113 0.911,114 -4.92,115 -4.83,116 -4.53,119 39.7,121 2,124 1,125 7,127 1,142 6,143 2,144 1,145 1,146 1,147 2,149 1,160 1,161 1,172 6,174 5,175 10,180 2,183 6,186 4,187 7,192 2,195 2,198 5,199 10,204 1,207 2,211 1,212 7,215 2,220 2,223 4,224 11,232 4,236 2,237 5,240 2,245 4,249 3,250 9,253 1,258 2,263 7,268 2,271 2,275 2853,276 25.764,277 25.764,278 25.764,279 25.764,280 25.764,281 23.255,282 33.476,283 15.209,284 26.675,285 20.728,286 20.728,287 20.728,288 20.728,289 20.728,290 16.833,291 43.904,292 7.213,293 22.142,294 4.505,295 2.318,296 1.033,297 0.688,298 0.688,299 0.688,300 4.363,305 1,306 1177,307 2.828,310 84.839,311 567.415,314 154.514,318 2.264,319 31.622,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 80.5,331 526,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.079,341 4.19,342 3.082,343 6.33,344 3.822,345 2.871,346 3.81,347 0.86,348 9.599,349 2.748,350 4.053,351 2.974,352 6.124,353 3.728,354 2.77,355 3.64,356 0.86,357 9.006,358 2.643,359 3.985,360 2.875,361 5.65,362 3.646,363 2.7,364 3.354,365 0.8,366 7.81,367 2.558,368 3.625,369 2.792,370 5.545,371 3.392,372 2.47,373 2.996,374 0.172,375 7.192,376 2.277,377 3.599,378 2.528,379 5.298,380 3.207,381 2.273,382 2.823,384 6.756,385 2.114,386 3.426,387 2.378,388 5.05,389 3.128,390 2.181,391 2.558,393 6.077,394 2.053,395 3.182,396 2.303,397 4.952,398 2.917,399 1.982,400 2.259,402 5.772,403 1.842,404 2.944,405 2.106,406 4.737,407 2.63,408 1.717,409 2.138,411 4.807,412 1.563,413 2.889,414 1.546,415 4.326,416 2.416,417 1.471,418 1.958,420 4.039,421 1.386,422 2.652,423 1.532,424 4.08,425 2.162,426 1.264,427 1.719,428 3.178,429 1.144,430 2.5,431 1.256,432 3.751,433 2.132,434 1.179,435 1.5,436 2.894,437 1.104,438 2.492,439 1.204,440 3.476,441 1.984,442 1.04,443 1.489,445 2.528,446 0.983,447 2.384,448 1.156,449 3.415,450 1.981,451 1,452 1.372,454 2.275,455 0.974,456 2.007,457 1.077,458 3.414,459 1.959,460 1,461 1,463 2.275,464 0.957,465 17.3,466 0.468,467 0.756,468 0.02,469 48,470 1.297,471 21.5,472 0.581,473 26.5,474 0.716,475 34.408,476 0.93,477 40.3,478 0.593,479 38.024,480 1.028,481 9.344,482 0.253,483 8.83,484 0.239,485 0.048,487 0.329,493 0.927,494 1.608,495 0.776,496 1.245,497 0.851,498 1.026,499 1.209,500 1.04,501 0.946,502 0.879,503 0.768,504 0.866,505 0.959,506 1.182,507 0.988,508 1.055,509 0.813,510 1.03,511 0.795,512 0.978,513 0.949,514 0.933,515 0.814,516 0.949,517 0.699,518 1.124,519 0.911,520 0.981,521 0.771,522 0.967,523 1.002,524 1.004,525 1.108,526 0.942,527 0.906,528 1.001,529 0.789,530 1.169,531 1.107,532 1.188,533 0.798,534 1.186,535 0.934,536 0.896,537 1.074,538 1.062,539 0.881,540 1.084,541 6.5,542 0.192,543 3.778,544 1.785,545 1.907,546 1.337,547 0.975,548 0.582,549 0.332,550 0.283,551 22701,552 57207,553 2.197,554 45.6,556 24,558 2,559 1,562 4,564 1.782,565 2.114,566 3.711,567 -0.338,573 107.579,574 1.582,575 3.77,576 5.054,577 5.4,578 5.4,579 5.4,580 3.254,581 4.811,582 5.173,583 3.936,584 2621.3,585 9.116,586 42518,591 413.947,592 1.181,593 5.165,594 0.155,595 0.006,596 0.064,597 0.029,598 0.033,599 0.022,600 0.017,601 0.01,602 0.006,603 0.007,604 0.349,605 0.17,606 0.75,607 0.509,608 203.685,609 -0.047,610 -0.376,611 0.083,612 -0.152,613 -0.013,614 -0.037,615 -0.079,616 0.104,617 0.007,618 0.102,619 0.043,620 0.07,621 -0.039,622 -0.109,623 -0.037,624 -0.061,625 0.036,626 -0.056,627 -0.012,628 0.058,629 0.017,630 0.03,631 -0.031,632 0.029,633 0.04,634 -0.075,635 0.041,636 -0.002,637 0.022,638 0.019,639 -0.109,640 0.103,641 -0.147,642 -0.001,643 -0.143,644 -0.06,645 0.022,646 -0.084,647 -0.174,648 -0.186,649 -0.051,650 -0.204,651 -0.037,652 0.092,653 -0.106,654 -0.055,655 -0.003,656 -0.083,657 1.47,658 4.066,659 0.892,660 48.02,661 1.004,662 1.134,663 3.693,664 13.64,665 0.655,666 3.761,667 4.094,668 4.407,669 4.71,670 5.004,671 5.147,672 5.389,673 5.595,674 5.753,675 5.905,676 8.15,677 0.627,678 501.65,679 3.761,680 5.313,681 6.18,682 7.067,683 7.953,684 8.849,685 9.745,686 10.648,687 11.551,688 12.46,689 10.3,692 1,695 1,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 1,728 1,729 1,731 68,733 22,734 1,735 42,737 73,738 27,739 16,740 2,741 4,746 6,747 7,755 3,758 3,761 16,762 11,781 31,782 9,783 1,784 10,787 1,790 7,794 0.833,795 3,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 37,853 1,854 9,856 2,858 1,859 2,870 4.4,872 1,874 1,875 1,877 17.5,878 12.433,879 8.083,880 4.154,881 3.797,882 1.429,883 0.988,884 7.028,885 12.648,886 3.989,887 4.588,888 5.203,889 5.822,890 6.399,891 6.774,892 7.267,893 7.726,894 8.074,895 8.449,896 1,897 61,898 13.698,900 5.873,901 7.586,902 26.683,904 22.423,905 2.086,906 77.167,910 353.133,911 129.89,912 75.29,914 64.683,917 129.89,918 417.816,919 75.29,920 10.883,921 24.782,922 56.857,923 154.701,924 39.038,925 7.143,926 329.591,928 353.133,929 205.18,930 64.683,933 308.377,934 100.768,935 11,937 51.331,938 84.379,939 67.142,941 353.133,942 139.973,943 129.89,946 353.133,947 44.483,948 93.554,950 131.825,951 353.133,952 139.973,953 129.89,955 0.579,956 0.342,957 0.189,958 0.108,959 30,960 12,961 0.082,962 6,963 1,964 1.061,965 4.783,966 376.795,967 0.061,968 33,969 184.75,974 24.257,975 10.72,976 5.18,977 1.658,978 138.074,979 14.909,980 19.013,984 4.226,985 2.222,986 42.683,987 622.996,988 53,999 68.298,1000 77.099,1001 0.26,1002 0.619,1003 0.83,1004 0.887,1005 0.887,1006 0.887,1007 5.239,1008 1.982,1009 6.155,1010 6.077,1011 4.779,1012 5.276,1013 1.86,1014 6.973,1015 4.655,1016 6.425,1017 1.717,1018 7.71,1019 5.772,1020 4.29,1021 5.037,1022 0.57,1023 7.867,1024 4.105,1025 7.726,1026 1.471,1027 9.365,1028 4.807,1029 6.375,1030 7.472,1031 1.527,1032 10.995,1033 6.138,1034 9.064,1035 1.264,1036 11.08,1037 4.039,1038 6.735,1039 8.122,1040 0.581,1041 12.757,1042 6.431,1043 10.438,1044 1.179,1045 12.837,1046 3.178,1047 8.253,1048 10.012,1049 1.279,1050 15.402,1051 7.903,1052 11.837,1053 1.04,1054 14.622,1055 2.894,1056 9.014,1057 11.095,1058 0.515,1059 17.537,1060 8.595,1061 13.258,1062 1,1063 16.429,1064 2.528,1065 10.302,1066 12.761,1067 1.07,1068 20.029,1069 9.833,1070 3.289,1071 1,1072 18.253,1073 2.275,1074 11.263,1075 14.065,1076 0.441,1077 22.33,1078 10.725,1079 2.871,1080 11.617,1081 20.092,1082 2.275,1083 12.459,1084 15.639,1085 0.89,1086 24.776,1087 11.866,1088 2.77,1089 9.599,1090 21.942,1091 4.638,1092 13.522,1093 17.055,1094 0.373,1095 27.152,1096 12.859,1097 2.7,1098 9.006,1099 23.802,1100 3.81,1101 14.686,1102 18.593,1103 0.735,1104 29.588,1105 13.963,1106 2.47,1107 7.81,1108 25.67,1109 3.64,1110 15.8,1111 20.066,1112 0.314,1113 31.999,1114 15.007,1115 2.273,1116 7.192,1117 27.546,1118 3.354,1119 16.958,1120 21.594,1121 0.603,1122 34.436,1123 16.102,1124 2.181,1125 6.756,1126 29.428,1127 2.996,1128 18.1,1129 23.095,1130 0.264,1131 36.865,1132 17.174,1133 20841,1134 33238,1135 29.126,1136 44.54,1137 63.282,1138 63.778,1139 64.35,1140 63.115,1141 63.109,1142 79.731,1143 7.218,1144 182.003,1145 59.132,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.079,1155 12.376,1156 1.507,1157 1.519,1158 1.532,1159 1.503,1160 1.503,1161 1.898,1162 0.172,1163 4.333,1164 1.408,1165 4.14,1166 4.193,1167 4.116,1168 3.975,1169 6.471,1170 4.002,1171 3.92,1172 3.964,1173 3.857,1174 3.807,1175 5.138,1176 3.812,1177 3.875,1178 3.904,1179 3.82,1180 3.773,1181 4.973,1182 3.784,1183 3.779,1184 3.833,1185 3.676,1186 3.609,1187 4.66,1188 3.616,1189 3.687,1190 3.745,1191 3.576,1192 3.478,1193 4.616,1194 3.494,1195 3.338,1196 3.397,1197 3.251,1198 3.11,1199 4.427,1200 3.134,1201 3.241,1202 3.305,1203 3.122,1204 3.011,1205 4.39,1206 3.031,1207 3.111,1208 3.206,1209 2.93,1210 2.941,1211 4.241,1212 2.91,1213 0.112,1214 0.08,1215 0.164,1216 0.101,1217 0.078,1218 4.694,1219 0.11,1220 3.38,1221 0.022,1222 6.903,1223 0.277,1224 4.225,1225 0.073,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.079,1231 1.946,1232 1.914,1233 2.07,1234 2.105,1235 1.431,1236 2.092,1237 1.889,1238 1.846,1239 2.009,1240 2.041,1241 1.213,1242 2.034,1243 1.802,1244 1.763,1245 1.93,1246 1.947,1247 1.086,1248 1.944,1249 1.75,1250 1.699,1251 1.921,1252 1.944,1253 1.068,1254 1.94,1255 1.562,1256 1.513,1257 1.675,1258 1.771,1259 0.825,1260 1.75,1261 1.347,1262 1.276,1263 1.588,1264 1.623,1265 0.825,1266 1.601,1267 1.213,1268 1.144,1269 1.513,1270 1.511,1271 0.819,1272 1.521,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.67,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.302,1284 4.727,1285 8.92,1286 6.862,1287 10.586,1289 1.633,1294 10.066,1295 7.703,1297 10.744,1299 0.305,1300 4.689,1305 42.616,1306 107.579,1307 256.33,1308 343.683,1309 367.193,1310 367.193,1311 367.193,1312 53.435,1313 8.851,1314 101.66,1315 101.66,1316 35,1317 12.977,1318 4.524,1319 3.585,1320 51.029,1321 175,1322 237,1323 0.138,1324 255.678,1325 434.87,1326 615.615,1327 96052,1329 25.192,1330 0.681,1331 0.566,1332 25.192,1333 20.954,1334 18.174,1335 0.433,1336 0.304,1337 12.513,1338 17.268,1339 12.285,1340 10.075,1341 18.174,1342 12.757,1343 16.206,1344 0.275,1345 0.162,1346 16.206,1347 9.561,1348 14.239,1349 0.176,1350 0.089,1351 14.239,1352 7.181,1353 12.165,1354 0.111,1355 0.047,1356 12.165,1357 5.178,1358 10.355,1359 0.07,1360 0.025,1361 10.355,1362 3.741,1363 0.218,1364 115.187,1365 0.185,1366 33.765,1367 0.374,1368 202,1369 575.137,1370 224.986,1371 546.915,1372 761.3,1373 518,1374 241,1375 569.226,1376 266.183,1377 573.967,1378 847.92,1379 539,1380 7.26}
{0 CHEMBL592063,1 1.687,2 15.703,3 2.828,4 7.995,5 135.9,6 7.978,7 0.537,8 4.272,9 4.391,10 3.897,11 3.735,12 5.435,13 3.756,14 4.803,15 4.973,16 4.252,17 4.104,18 5.972,19 4.11,20 4.992,21 5.193,22 4.314,23 4.228,24 6.125,25 4.215,26 5.036,27 5.243,28 4.287,29 4.223,30 6.209,31 4.203,32 5.007,33 5.214,34 4.241,35 4.205,36 6.149,37 4.183,38 4.986,39 5.195,40 4.215,41 4.209,42 6.084,43 4.173,44 4.979,45 5.19,46 4.126,47 4.212,48 6.019,49 4.15,50 5.004,51 5.232,52 4.008,53 4.187,54 6.137,55 4.065,56 0.165,57 1.009,58 11.611,59 5.071,60 12.109,61 6.415,62 0.693,63 1.547,64 23.946,65 8.135,66 46.497,67 10.767,68 0.681,69 1.81,70 30.296,71 9.58,72 51.952,73 13.317,74 0.729,75 1.839,76 32.176,77 9.843,78 70.935,79 13.644,80 0.714,81 1.779,82 31.427,83 9.289,84 73.312,85 13.028,86 0.754,87 1.793,88 30.02,89 9.003,90 59.26,91 12.809,92 0.671,93 1.736,94 29.792,95 9.765,96 47.705,97 13.768,98 0.792,99 1.64,100 32.243,101 12.406,102 92.656,103 17.524,104 22,105 57,106 0.267,107 0.617,108 0.737,109 0.781,110 0.801,111 0.816,112 3.642,113 0.868,114 -4.56,115 -4.48,116 -4.22,119 39.7,120 1,124 1,125 5,142 8,143 2,144 2,146 1,147 1,149 1,158 1,159 1,161 1,166 2,172 8,174 5,175 5,178 2,179 1,180 4,183 8,186 5,187 9,192 4,195 4,198 5,199 16,204 6,211 1,212 10,217 4,223 1,224 12,227 4,229 2,232 5,236 3,237 5,245 10,249 4,250 2,253 6,258 10,263 3,266 2,271 4,275 2728,276 25.48,277 25.48,278 25.48,279 25.48,280 25.48,281 22.752,282 30.185,283 14.961,284 26.24,285 20.123,286 20.123,287 20.123,288 20.123,289 20.123,290 15.739,291 37.79,292 6.957,293 21.163,294 4.291,295 2.075,296 1.318,297 1.04,298 0.913,299 0.818,300 4.349,306 1272,307 3.873,310 99.141,311 488.078,314 173.444,318 2.446,319 39.945,322 0.5,323 0.67,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.66,330 82,331 581,332 4.673,333 3.649,334 6.84,335 4.197,336 3.254,337 4.627,338 1.674,339 11.391,340 3.067,341 4.197,342 3.561,343 6.11,344 3.82,345 2.833,346 3.795,347 1.656,348 8.946,349 2.792,350 4.166,351 3.348,352 6.095,353 3.769,354 2.79,355 3.769,356 0.86,357 8.804,358 2.728,359 3.915,360 2.906,361 6.023,362 3.592,363 2.671,364 3.312,365 0.8,366 8.552,367 2.486,368 3.864,369 2.796,370 5.557,371 3.549,372 2.583,373 3.186,374 0.247,375 7.586,376 2.454,377 3.693,378 2.568,379 5.309,380 3.309,381 2.343,382 3.066,384 6.866,385 2.259,386 3.362,387 2.418,388 5.12,389 2.939,390 1.996,391 2.587,393 5.793,394 1.897,395 3.183,396 2.318,397 4.675,398 2.881,399 1.898,400 2.279,402 5.086,403 1.832,404 2.962,405 1.908,406 4.415,407 2.449,408 1.512,409 2.16,411 4.255,412 1.416,413 2.827,414 1.899,415 4.351,416 2.397,417 1.481,418 1.872,420 3.863,421 1.345,422 2.744,423 1.535,424 4.096,425 2.352,426 1.389,427 1.817,428 3.467,429 1.318,430 2.5,431 1.461,432 3.761,433 2.08,434 1.164,435 1.5,436 2.905,437 1.059,438 2.5,439 1.32,440 3.43,441 2,442 1,443 1.5,445 2.275,446 1,447 2.473,448 1.256,449 3.414,450 2,451 1,452 1.466,454 2.275,455 1,456 2.113,457 1,458 3.414,459 1.952,460 1,461 1.043,463 2.136,464 0.946,465 17.033,466 0.46,467 0.794,468 0.021,469 50,470 1.351,471 24.5,472 0.662,473 25.5,474 0.689,475 30.211,476 0.817,477 39.967,478 0.634,479 42.401,480 1.146,481 10.149,482 0.274,483 7.902,484 0.214,485 0.098,487 0.341,493 0.775,494 1.427,495 0.708,496 1.187,497 0.583,498 0.971,499 0.922,500 1.067,501 0.825,502 0.898,503 0.591,504 0.855,505 0.972,506 1.107,507 0.904,508 0.95,509 0.819,510 0.91,511 1.08,512 1.102,513 1.012,514 1.013,515 1.184,516 0.991,517 1.17,518 1.15,519 1.052,520 0.967,521 1.288,522 0.966,523 0.968,524 1.05,525 1.117,526 0.979,527 0.923,528 1.04,529 0.869,530 1.033,531 1.16,532 1.087,533 0.686,534 1.15,535 0.329,536 0.979,537 0.999,538 1.29,539 0.4,540 1.303,541 7,542 0.203,543 4.222,544 2.132,545 1.84,546 1.642,547 0.887,548 0.368,549 0.37,550 0.317,551 23704,552 70100,553 2.116,554 41.3,556 21,559 2,561 3,564 1.777,565 2,566 3.85,567 0.243,573 106.261,574 1.687,575 3.902,576 4.66,577 4.937,578 5.064,579 5.16,580 3.334,581 4.649,582 5.178,583 4.09,584 2723.94,585 9.089,586 46362.2,591 376.569,592 1.338,593 5.15,594 0.171,595 0.007,596 0.074,597 0.036,598 0.032,599 0.03,600 0.017,601 0.008,602 0.009,603 0.01,604 0.393,605 0.17,606 0.63,607 0.856,608 207.121,609 -0.014,610 -0.195,611 0.067,612 -0.127,613 -0.03,614 -0.034,615 0.084,616 0.045,617 0.078,618 0.092,619 0.097,620 0.075,621 -0.067,622 -0.03,623 0.027,624 0.022,625 0.005,626 0.04,627 -0.123,628 -0.042,629 -0.063,630 -0.057,631 -0.086,632 -0.048,633 -0.205,634 -0.093,635 -0.103,636 -0.008,637 -0.173,638 -0.023,639 -0.106,640 0.055,641 -0.193,642 -0.034,643 -0.105,644 -0.109,645 -0.091,646 0.042,647 -0.244,648 -0.102,649 -0.071,650 -0.179,651 0.36,652 -0.025,653 -0.051,654 -0.228,655 0.314,656 -0.237,657 2.105,658 5.448,659 0.73,660 47.993,661 1.017,662 1.136,663 3.328,664 11.072,665 0.662,666 3.738,667 4.06,668 4.357,669 4.625,670 4.875,671 5.011,672 5.204,673 5.333,674 5.407,675 5.525,676 9.035,677 0.647,678 502.59,679 3.738,680 5.283,681 6.142,682 7.022,683 7.898,684 8.787,685 9.672,686 10.566,687 11.457,688 12.354,689 12.7,695 1,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,721 1,726 1,731 63,733 24,734 2,735 41,737 67,738 25,739 16,740 4,741 8,742 1,746 5,747 6,751 1,752 1,761 18,762 7,766 2,771 2,775 2,781 26,782 11,783 2,784 12,790 8,794 0.8,795 4,806 1,811 1,812 4,815 1,839 1,840 4,844 2,848 37,854 5,855 2,856 2,859 1,867 1,870 6.3,873 2,874 1,875 1,877 18.5,878 12.033,879 8.25,880 3.799,881 4.214,882 1.495,883 0.989,884 7.488,885 12.735,886 4.007,887 4.608,888 5.22,889 5.829,890 6.392,891 6.774,892 7.248,893 7.667,894 7.957,895 8.36,896 1,897 60,898 13.649,900 5.797,901 7.829,902 25.713,904 20.708,905 2.329,906 86.167,910 282.506,911 142.887,912 107.697,914 72.29,917 142.887,918 354.796,919 107.697,920 19.708,921 51.523,922 75.81,923 136.971,924 32.257,925 6.604,926 282.506,928 282.506,929 250.584,930 72.29,933 249.521,934 96.603,935 11,937 65.985,938 115.497,939 66.775,941 282.506,942 179.987,943 142.887,946 282.506,947 47.369,948 100.419,949 36.022,950 139.064,951 282.506,952 179.987,953 142.887,955 0.577,956 0.345,957 0.186,958 0.101,959 27,960 12,961 0.104,962 7,963 1,964 1.074,965 4.792,966 356.932,967 0.074,968 27,969 180.75,974 24.932,975 11.113,976 5.504,977 1.343,978 178.21,979 13.695,980 18.124,984 3.626,985 1.752,986 36.022,987 605.38,988 54,993 24.002,997 -0.851,999 64.076,1000 71.561,1001 0.282,1002 0.653,1003 0.78,1004 0.826,1005 0.847,1006 0.863,1007 5.244,1008 1.898,1009 6.12,1010 5.793,1011 4.745,1012 5.296,1013 2.628,1014 6.932,1015 4.652,1016 6.446,1017 1.512,1018 7.678,1019 5.086,1020 4.29,1021 5.112,1022 1.305,1023 7.832,1024 4.168,1025 7.755,1026 1.481,1027 9.335,1028 4.255,1029 6.34,1030 7.512,1031 3.349,1032 10.935,1033 6.161,1034 9.1,1035 1.389,1036 11.051,1037 3.863,1038 6.723,1039 8.187,1040 2.354,1041 12.68,1042 6.506,1043 10.479,1044 1.164,1045 12.805,1046 3.467,1047 8.215,1048 10.054,1049 4.26,1050 15.3,1051 7.949,1052 11.882,1053 1,1054 14.586,1055 2.905,1056 8.985,1057 11.141,1058 3.414,1059 17.407,1060 8.672,1061 13.303,1062 1,1063 16.387,1064 2.275,1065 10.254,1066 12.793,1067 5.237,1068 19.873,1069 9.894,1070 3.254,1071 1,1072 18.204,1073 2.275,1074 11.213,1075 14.092,1076 4.466,1077 22.147,1078 10.799,1079 2.833,1080 11.391,1081 20.033,1082 2.136,1083 12.393,1084 15.656,1085 6.24,1086 24.569,1087 11.93,1088 2.79,1089 8.946,1090 21.873,1091 4.627,1092 13.446,1093 17.065,1094 5.504,1095 26.921,1096 12.925,1097 2.671,1098 8.804,1099 23.722,1100 3.795,1101 14.596,1102 18.595,1103 7.254,1104 29.335,1105 14.022,1106 2.583,1107 8.552,1108 25.578,1109 3.769,1110 15.697,1111 20.061,1112 6.531,1113 31.726,1114 15.062,1115 2.343,1116 7.586,1117 27.441,1118 3.312,1119 16.842,1120 21.582,1121 8.273,1122 34.143,1123 16.15,1124 1.996,1125 6.866,1126 29.31,1127 3.186,1128 17.969,1129 23.077,1130 7.551,1131 36.553,1132 17.215,1133 22253,1134 38441,1135 27.739,1136 41.716,1137 60.981,1138 63.407,1139 63.21,1140 60.765,1141 60.826,1142 79.469,1143 10.475,1144 174.739,1145 57.996,1146 5.673,1147 5.649,1148 6.642,1149 5.3,1150 5.254,1151 7.627,1152 3.349,1153 18.794,1154 5.067,1155 17.343,1156 1.487,1157 1.547,1158 1.542,1159 1.482,1160 1.484,1161 1.938,1162 0.255,1163 4.262,1164 1.415,1165 4.111,1166 4.167,1167 4.094,1168 3.944,1169 7.434,1170 3.969,1171 3.945,1172 3.975,1173 3.897,1174 3.851,1175 7.43,1176 3.856,1177 3.871,1178 3.904,1179 3.819,1180 3.762,1181 5.22,1182 3.778,1183 3.736,1184 3.799,1185 3.623,1186 3.499,1187 4.793,1188 3.519,1189 3.505,1190 3.551,1191 3.457,1192 3.264,1193 4.73,1194 3.286,1195 3.432,1196 3.488,1197 3.317,1198 3.195,1199 4.628,1200 3.225,1201 3.323,1202 3.367,1203 3.217,1204 3.044,1205 4.51,1206 3.081,1207 3.111,1208 3.206,1209 3.001,1210 2.941,1211 4.471,1212 2.91,1213 0.114,1214 0.089,1215 0.167,1216 0.102,1217 0.079,1218 4.673,1219 0.113,1220 3.649,1221 0.041,1222 6.84,1223 0.278,1224 4.197,1225 0.075,1226 3.254,1227 4.627,1228 1.674,1229 11.391,1230 3.067,1231 1.948,1232 1.918,1233 2.03,1234 2.088,1235 1.217,1236 2.067,1237 1.903,1238 1.88,1239 1.999,1240 2.015,1241 1.111,1242 2.008,1243 1.785,1244 1.741,1245 1.931,1246 1.951,1247 1.086,1248 1.951,1249 1.633,1250 1.569,1251 1.86,1252 1.886,1253 1.041,1254 1.875,1255 1.475,1256 1.403,1257 1.644,1258 1.723,1259 0.825,1260 1.703,1261 1.329,1262 1.299,1263 1.596,1264 1.641,1265 0.748,1266 1.61,1267 1.206,1268 1.154,1269 1.513,1270 1.519,1271 0.582,1272 1.494,1273 1.153,1274 1.064,1275 1.386,1276 1.376,1277 0.365,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.259,1284 4.727,1285 8.865,1286 6.843,1287 10.518,1289 3.307,1295 3.321,1296 5.531,1297 10.173,1300 2.143,1305 40.772,1306 106.261,1307 245.814,1308 293.549,1309 311.059,1310 319.059,1311 325.059,1312 63.511,1313 8.521,1314 136.39,1315 136.39,1316 29,1317 12.88,1318 4.644,1319 3.807,1320 57.135,1321 202,1322 227,1323 0.136,1324 248.823,1325 427.14,1326 598.887,1327 69864,1329 25.777,1330 0.697,1331 0.553,1332 25.777,1333 20.471,1334 18.05,1335 0.44,1336 0.289,1337 11.609,1338 17.045,1339 11.384,1340 9.413,1341 18.05,1342 11.862,1343 15.891,1344 0.279,1345 0.145,1346 15.891,1347 8.273,1348 13.875,1349 0.18,1350 0.077,1351 13.875,1352 5.919,1353 11.505,1354 0.114,1355 0.039,1356 11.505,1357 3.983,1358 9.32,1359 0.072,1360 0.021,1361 9.32,1362 2.668,1363 0.221,1364 115.263,1365 0.19,1366 34.265,1367 0.354,1368 196,1369 653.479,1370 223.17,1371 617.98,1372 846.78,1373 580,1374 232,1375 631.224,1376 260.065,1377 630.695,1378 926.11,1379 592,1380 7.633}
{0 CHEMBL592064,1 1.535,2 13.194,3 3.02,4 9.122,5 140.07,6 7.249,7 0.537,8 4.321,9 4.448,10 3.882,11 3.826,12 5.349,13 3.812,14 4.898,15 5.084,16 4.235,17 4.24,18 5.855,19 4.204,20 5.16,21 5.389,22 4.304,23 4.397,24 6.057,25 4.319,26 5.237,27 5.498,28 4.283,29 4.396,30 6.109,31 4.306,32 5.184,33 5.43,34 4.315,35 4.384,36 6.097,37 4.316,38 5.172,39 5.399,40 4.321,41 4.39,42 6.15,43 4.329,44 5.162,45 5.388,46 4.258,47 4.394,48 6.064,49 4.311,50 5.199,51 5.439,52 4.191,53 4.416,54 6.039,55 4.302,56 0.073,57 1.062,58 14.574,59 5.949,60 11.334,61 8.11,62 0.355,63 1.739,64 28.635,65 9.635,66 28.274,67 13.691,68 0.449,69 2.132,70 38.755,71 12.854,72 41.872,73 19.096,74 0.534,75 2.23,76 43.313,77 13.397,78 47.961,79 20.515,80 0.44,81 2.17,82 40.394,83 12.074,84 48.147,85 18.765,86 0.643,87 2.201,88 39.365,89 10.902,90 60.221,91 16.995,92 0.496,93 2.13,94 38.623,95 12.078,96 44.167,97 18.314,98 0.457,99 2.122,100 40.558,101 14.102,102 40.76,103 20.803,104 3,105 57,106 0.241,107 0.565,108 0.733,109 0.809,110 0.83,111 0.83,112 3.616,113 0.93,114 -5.12,115 -5.01,116 -4.69,119 40.3,121 2,125 8,127 1,142 9,143 3,146 1,147 1,149 1,161 1,166 2,172 12,174 4,175 7,180 1,183 13,186 5,187 8,192 2,195 6,198 6,199 12,204 2,207 2,211 2,212 9,217 1,220 4,223 3,224 13,227 2,232 6,236 3,237 10,245 6,249 2,250 11,253 2,258 4,263 13,266 2,271 2,275 2654,276 25.317,277 25.317,278 25.317,279 25.317,280 25.317,281 22.832,282 31.723,283 15.127,284 25.913,285 20.262,286 20.262,287 20.262,288 20.262,289 20.262,290 16.429,291 43.484,292 7.185,293 21.252,294 4.532,295 2.467,296 1.392,297 0.907,298 0.776,299 0.776,300 4.339,305 1,306 1063,307 2.739,310 80.476,311 541.201,314 145.986,318 2.028,319 28.365,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 77.5,331 475,332 4.694,333 3.38,334 6.903,335 4.233,336 3.289,337 4.638,338 0.916,339 11.617,340 3.103,341 4.2,342 3.077,343 6.33,344 3.836,345 2.874,346 3.821,347 0.86,348 9.6,349 2.785,350 3.997,351 2.949,352 6.131,353 3.737,354 2.779,355 3.457,356 0.8,357 9.04,358 2.652,359 3.929,360 2.909,361 5.637,362 3.606,363 2.649,364 3.357,365 0.765,366 7.742,367 2.546,368 3.649,369 2.594,370 5.517,371 3.336,372 2.377,373 3.032,374 0.172,375 7.132,376 2.268,377 3.521,378 2.468,379 5.281,380 3.263,381 2.291,382 2.605,384 6.687,385 2.22,386 3.256,387 2.354,388 5.044,389 3.034,390 2.094,391 2.345,393 6.051,394 1.961,395 2.974,396 2.12,397 4.745,398 2.654,399 1.734,400 2.178,402 4.819,403 1.593,404 2.937,405 1.615,406 4.385,407 2.478,408 1.518,409 2.044,411 4.172,412 1.454,413 2.818,414 1.576,415 4.082,416 2.414,417 1.427,418 1.913,420 3.225,421 1.406,422 2.659,423 1.487,424 3.76,425 2.182,426 1.26,427 1.727,428 2.993,429 1.175,430 2.5,431 1.256,432 3.587,433 2.145,434 1.185,435 1.5,436 2.901,437 1.115,438 2.489,439 1.22,440 3.487,441 2.005,442 1.038,443 1.484,445 2.546,446 1,447 2.381,448 1.077,449 3.414,450 2,451 1,452 1.369,454 2.275,455 0.998,456 2.004,457 1.061,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 16.967,466 0.471,467 0.65,468 0.018,469 45,470 1.25,471 20.5,472 0.569,473 24.5,474 0.681,475 34.313,476 0.953,477 38.833,478 0.58,479 35.261,480 0.979,481 8.804,482 0.245,483 8.976,484 0.249,485 0.02,487 0.306,493 0.832,494 1.383,495 0.791,496 1.158,497 0.833,498 1.003,499 1.206,500 1.123,501 0.979,502 0.971,503 0.92,504 0.949,505 0.866,506 1.142,507 0.958,508 1.042,509 0.604,510 1.017,511 0.831,512 0.998,513 0.914,514 0.925,515 0.881,516 0.921,517 0.949,518 1.121,519 0.918,520 0.92,521 0.955,522 0.898,523 1.18,524 1.06,525 1.162,526 0.946,527 1.019,528 1.009,529 0.989,530 1.14,531 1.141,532 1.093,533 0.856,534 1.114,535 0.762,536 1.029,537 1.075,538 1.126,539 0.71,540 1.135,541 5.5,542 0.164,543 3.333,544 1.722,545 1.716,546 1.282,547 0.893,548 0.536,549 0.34,550 0.27,551 20606,552 47884,553 2.221,554 46.3,556 26,559 1,562 4,564 1.778,565 2.16,566 3.633,567 -0.355,573 102.814,574 1.535,575 3.599,576 4.674,577 5.159,578 5.29,579 5.29,580 3.084,581 4.705,582 5.134,583 3.831,584 2413.6,585 9.052,586 37918.3,591 406.428,592 1.056,593 5.134,594 0.134,595 0.005,596 0.058,597 0.029,598 0.03,599 0.021,600 0.015,601 0.01,602 0.007,603 0.006,604 0.316,605 0.17,606 0.75,607 0.431,608 195.302,609 0.062,610 -0.157,611 0.086,612 -0.075,613 0.009,614 -0.011,615 -0.082,616 0.018,617 -0.029,618 0.025,619 -0.054,620 0.003,621 0.041,622 -0.085,623 0.003,624 -0.057,625 0.095,626 -0.042,627 0.047,628 0.025,629 0.071,630 0.025,632 0.045,633 -0.035,634 -0.062,635 0.061,636 0.029,637 -0.065,638 0.058,639 -0.095,640 0.078,641 -0.18,642 -0.033,643 -0.082,644 -0.099,645 -0.05,646 -0.047,647 -0.181,648 -0.129,649 -0.09,650 -0.161,651 0.034,652 -0.005,653 -0.123,654 -0.123,655 0.011,656 -0.139,657 1.52,658 3.644,659 0.917,660 44.898,661 1,662 1.133,663 3.888,664 15.117,665 0.658,666 3.738,667 4.06,668 4.382,669 4.691,670 4.984,671 5.124,672 5.375,673 5.587,674 5.759,675 5.914,676 7.668,677 0.625,678 485.65,679 3.738,680 5.283,681 6.151,682 7.036,683 7.923,684 8.819,685 9.716,686 10.621,687 11.525,688 12.435,689 10.4,692 1,695 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 67,733 22,734 2,735 41,737 72,738 27,739 16,740 3,741 9,746 6,747 7,752 1,755 3,758 3,761 16,762 11,781 31,782 8,783 1,784 9,790 7,794 0.833,795 2,796 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,848 36,853 1,854 10,856 1,858 1,859 2,867 1,870 3,871 1,874 1,877 16.667,878 11.85,879 7.917,880 4.201,881 3.772,882 1.431,883 0.994,884 6.82,885 12.524,886 3.97,887 4.557,888 5.178,889 5.802,890 6.374,891 6.749,892 7.264,893 7.733,894 8.096,895 8.483,896 0.889,897 59,898 13.349,900 5.741,901 7.542,902 26.191,904 22.211,905 2.042,906 73.5,910 353.133,911 128.141,912 74.8,914 53.683,917 128.141,918 406.816,919 74.8,921 24.782,922 127.97,923 79.49,924 22.054,925 2.328,926 353.133,928 353.133,929 202.94,930 53.683,933 308.377,934 47.084,935 53.683,937 33.543,938 100.295,939 66.775,941 353.133,942 128.483,943 128.141,946 353.133,947 42.854,948 93.311,950 120.458,951 353.133,952 128.483,953 128.141,955 0.574,956 0.341,957 0.192,958 0.109,959 29,960 11,961 0.083,962 6,963 1,964 1.061,965 4.702,966 365.852,967 0.061,968 33,969 174.117,974 23.353,975 10.514,976 4.973,977 1.517,978 126.706,979 18.406,980 19.089,984 4.495,985 2.014,986 42.683,987 609.757,988 52,999 66.97,1000 75.889,1001 0.253,1002 0.593,1003 0.77,1004 0.851,1005 0.872,1006 0.872,1007 5.212,1008 1.734,1009 6.116,1010 6.051,1011 4.745,1012 5.244,1013 1.81,1014 6.932,1015 4.653,1016 6.389,1017 1.518,1018 7.667,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.825,1024 4.06,1025 7.684,1026 1.427,1027 9.321,1028 4.172,1029 6.333,1030 7.43,1031 1.434,1032 10.968,1033 6.15,1034 9.016,1035 1.26,1036 11.039,1037 3.225,1038 6.673,1039 8.055,1040 0.581,1041 12.741,1042 6.43,1043 10.388,1044 1.185,1045 12.799,1046 2.993,1047 8.214,1048 9.97,1049 1.158,1050 15.391,1051 7.934,1052 11.787,1053 1.038,1054 14.589,1055 2.901,1056 8.971,1057 11.047,1058 0.515,1059 17.532,1060 8.627,1061 13.209,1062 1,1063 16.401,1064 2.546,1065 10.269,1066 12.726,1067 0.936,1068 20.025,1069 9.884,1070 3.289,1071 1,1072 18.23,1073 2.275,1074 11.232,1075 14.031,1076 0.441,1077 22.329,1078 10.782,1079 2.874,1080 11.617,1081 20.073,1082 2.136,1083 12.434,1084 15.612,1085 0.756,1086 24.775,1087 11.936,1088 2.779,1089 9.6,1090 21.927,1091 4.638,1092 13.499,1093 17.031,1094 0.373,1095 27.152,1096 12.937,1097 2.649,1098 9.04,1099 23.79,1100 3.821,1101 14.668,1102 18.574,1103 0.609,1104 29.588,1105 14.052,1106 2.377,1107 7.742,1108 25.661,1109 3.457,1110 15.784,1111 20.05,1112 0.314,1113 32,1114 15.104,1115 2.291,1116 7.132,1117 27.538,1118 3.357,1119 16.946,1120 21.58,1121 0.49,1122 34.437,1123 16.209,1124 2.094,1125 6.687,1126 29.422,1127 3.032,1128 18.089,1129 23.084,1130 0.264,1131 36.866,1132 17.289,1133 18831,1134 28892,1135 28.72,1136 44.086,1137 61.524,1138 62.056,1139 62.079,1140 61.435,1141 61.417,1142 77.843,1143 7.027,1144 175.525,1145 58.576,1146 5.694,1147 5.38,1148 6.705,1149 5.336,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.103,1155 8.454,1156 1.501,1157 1.514,1158 1.514,1159 1.498,1160 1.498,1161 1.899,1162 0.171,1163 4.281,1164 1.429,1165 4.129,1166 4.186,1167 4.108,1168 3.963,1169 6.457,1170 3.986,1171 3.931,1172 3.972,1173 3.854,1174 3.856,1175 5.219,1176 3.851,1177 3.891,1178 3.924,1179 3.832,1180 3.79,1181 4.766,1182 3.801,1183 3.782,1184 3.838,1185 3.674,1186 3.62,1187 4.753,1188 3.624,1189 3.685,1190 3.745,1191 3.572,1192 3.469,1193 4.623,1194 3.487,1195 3.32,1196 3.385,1197 3.246,1198 3.109,1199 4.488,1200 3.127,1201 3.217,1202 3.275,1203 3.079,1204 3.039,1205 4.277,1206 3.037,1207 3.111,1208 3.206,1209 2.97,1210 2.941,1211 4.021,1212 2.91,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.233,1225 0.076,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.103,1231 1.961,1232 1.931,1233 2.083,1234 2.107,1235 1.426,1236 2.095,1237 1.926,1238 1.892,1239 2.042,1240 2.046,1241 1.216,1242 2.047,1243 1.83,1244 1.784,1245 1.99,1246 1.96,1247 1.154,1248 1.969,1249 1.757,1250 1.703,1251 1.93,1252 1.949,1253 1.139,1254 1.952,1255 1.569,1256 1.519,1257 1.689,1258 1.781,1259 0.841,1260 1.763,1261 1.272,1262 1.195,1263 1.513,1264 1.572,1265 0.825,1266 1.532,1267 1.19,1268 1.142,1269 1.513,1270 1.45,1271 0.825,1272 1.447,1273 1.153,1274 1.064,1275 1.496,1276 1.376,1277 0.706,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.268,1284 4.727,1285 8.885,1286 6.862,1287 10.551,1294 9.644,1295 7.799,1297 5.573,1299 0.242,1300 4.722,1305 41.901,1306 102.814,1307 241.131,1308 313.144,1309 345.673,1310 354.428,1311 354.428,1312 51.936,1313 8.752,1314 92.43,1315 92.43,1316 35,1317 12.952,1318 4.524,1319 3.585,1320 48.862,1321 159,1322 199,1323 0.144,1324 251.682,1325 426.08,1326 605.864,1327 83807,1329 24.321,1330 0.676,1331 0.565,1332 24.321,1333 20.331,1334 17.78,1335 0.434,1336 0.31,1337 12.503,1338 17.023,1339 12.301,1340 10.078,1341 17.78,1342 12.704,1343 15.584,1344 0.273,1345 0.167,1346 15.584,1347 9.528,1348 13.844,1349 0.175,1350 0.09,1351 13.844,1352 7.136,1353 11.934,1354 0.111,1355 0.048,1356 11.934,1357 5.159,1358 10.199,1359 0.07,1360 0.026,1361 10.199,1362 3.743,1363 0.226,1364 111.839,1365 0.187,1366 32.848,1367 0.399,1368 196,1369 523.401,1370 215.332,1371 503.906,1372 706.59,1373 478,1374 234,1375 533.878,1376 256.748,1377 537.458,1378 795.27,1379 507,1380 7.081}
{0 CHEMBL592263,1 1.674,2 8.455,3 1.504,4 2.262,5 77.95,6 8.036,7 0.64,8 3.769,9 3.882,10 3.406,11 3.243,12 4.91,13 3.269,14 4.294,15 4.459,16 3.764,17 3.626,18 5.419,19 3.637,20 4.482,21 4.684,22 3.763,23 3.713,24 5.548,25 3.684,26 4.449,27 4.678,28 3.676,29 3.655,30 5.478,31 3.616,32 4.394,33 4.619,34 3.653,35 3.648,36 5.38,37 3.611,38 4.409,39 4.613,40 3.638,41 3.649,42 5.504,43 3.604,44 4.371,45 4.599,46 3.38,47 3.51,48 5.391,49 3.428,50 4.159,51 4.414,52 2.964,53 3.247,54 5.096,55 3.096,56 0.091,57 0.606,58 6.868,59 2.894,60 8.561,61 3.608,62 0.33,63 0.954,64 13.718,65 4.769,66 20.917,67 6.054,68 0.435,69 1.073,70 18.259,71 6.009,72 30.124,73 8.163,74 0.374,75 1.059,76 17.957,77 5.418,78 31.78,79 7.852,80 0.327,81 1.006,82 16.796,83 5.162,84 23.91,85 7.559,86 0.397,87 1.007,88 16.244,89 5.152,90 31.909,91 7.29,92 0.394,93 0.871,94 16.988,95 5.357,96 29.812,97 7.515,98 0.278,99 0.629,100 14.889,101 5.482,102 24.856,103 7.818,104 2,105 35,106 0.3,107 0.679,108 0.778,109 0.797,110 0.797,111 0.797,112 3.148,113 0.857,114 -3.62,115 -3.59,116 -3.42,119 40.5,125 4,142 4,143 1,144 1,147 1,149 2,152 1,160 1,172 4,174 3,175 2,178 1,180 2,183 4,186 1,187 4,190 3,192 2,195 2,198 3,199 6,204 1,211 1,212 4,217 1,224 4,227 3,229 2,236 2,237 1,242 2,250 2,253 2,263 2,267 1,275 576,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.611,283 9.113,284 15.83,285 12.38,286 12.38,287 12.38,288 12.38,289 12.38,290 9.63,291 16.024,292 4.366,293 13.258,294 3.536,295 1.415,296 0.865,297 0.757,298 0.757,299 0.757,300 3.85,303 1,304 1,305 1,306 414,307 1.871,310 44.836,311 167.604,314 79.227,318 1.182,319 21.16,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 186,332 4.603,333 3.304,334 6.731,335 4.133,336 3.193,337 4.529,338 0.86,339 11.011,340 3.001,341 4.132,342 2.857,343 6.104,344 3.732,345 2.761,346 3.758,347 0.8,348 8.921,349 2.683,350 3.738,351 2.69,352 5.765,353 3.423,354 2.504,355 3.108,357 7.807,358 2.295,359 3.654,360 2.46,361 5.045,362 3.218,363 2.27,364 3.022,366 6.092,367 2.145,368 3.015,369 2.233,370 4.679,371 2.693,372 1.791,373 2.182,375 4.788,376 1.612,377 2.963,378 1.558,379 4.396,380 2.426,381 1.49,382 2.092,384 4.213,385 1.389,386 2.545,387 1.535,388 3.71,389 2.105,390 1.236,391 1.567,393 2.921,394 1.068,395 2.5,396 1.256,397 3.452,398 2,399 1.048,400 1.5,402 2.388,403 1,404 2.378,405 1.06,406 3.414,407 1.966,408 1,409 1.364,411 2.275,412 0.96,413 2,414 1,415 3.333,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.938,423 0.625,424 3.247,425 1.449,426 0.547,427 0.747,428 1.49,429 0.493,430 1.166,431 0.104,432 2.708,433 0.763,434 -0.171,435 -0.217,436 -0.385,437 -0.158,438 0.902,439 -0.298,440 2.555,441 0.481,442 -0.434,443 -0.525,445 -1.151,446 -0.396,447 0.576,448 -0.36,449 2.182,450 0.099,451 -0.825,452 -1,454 -2.085,455 -0.757,456 0.5,457 -0.707,458 2,460 -0.949,461 -1.011,463 -2.347,464 -0.846,465 10.167,466 0.462,467 0.448,468 0.02,469 31,470 1.409,471 15,472 0.682,473 16,474 0.727,475 14.541,476 0.661,477 23.433,478 0.633,479 20.525,480 0.933,481 6.167,482 0.28,483 4.643,484 0.211,485 0.033,487 0.334,493 0.988,494 1.512,495 0.722,496 1.127,497 0.925,498 0.911,499 1.123,500 1.027,501 0.891,502 0.908,503 0.731,504 0.862,505 1.004,506 1.076,507 0.947,508 0.969,509 0.903,510 0.96,511 0.858,512 1.063,513 0.956,514 0.935,515 0.909,516 0.944,517 0.789,518 1.045,519 0.899,520 0.875,521 0.625,522 0.876,523 0.85,524 1.101,525 1.133,526 1.093,527 0.679,528 1.136,529 0.986,530 0.943,531 1.227,532 1.13,533 0.875,534 1.197,535 0.553,536 0.941,537 0.986,538 1.268,539 0.68,540 1.246,541 3.5,542 0.025,543 2.444,544 0.938,545 1.008,546 0.83,547 0.361,548 0.14,549 0.161,550 0.087,551 4914,552 13929,553 2.205,554 40.5,556 12,558 1,559 2,564 1.65,565 2.129,566 3.06,567 0.393,568 1,569 1,571 1,573 61.933,574 1.674,575 3.794,576 4.345,577 4.453,578 4.453,579 4.453,580 2.465,581 3.789,582 4.43,583 3.152,584 728.018,585 7.639,586 7745.67,587 1,588 1,590 1,591 192.75,592 1.143,593 4.418,594 0.14,595 0.008,596 0.07,597 0.028,598 0.033,599 0.027,600 0.012,601 0.007,602 0.012,603 0.011,604 0.347,605 0.67,606 1,607 0.405,608 99.081,609 -0.134,610 -0.329,611 0.05,612 -0.103,613 -0.111,614 -0.008,615 -0.095,616 0.09,617 -0.014,618 0.052,619 0.013,620 0.031,621 -0.031,622 -0.058,623 -0.007,624 0.001,625 -0.006,626 -0.011,627 -0.062,628 -0.018,629 -0.013,630 -0.002,631 -0.088,632 0.002,633 -0.062,634 0.007,635 0.028,636 0.078,637 -0.032,638 0.084,639 -0.011,640 -0.022,641 -0.229,642 -0.152,643 0.039,644 -0.213,645 -0.065,646 0.034,647 -0.258,648 -0.171,649 -0.105,650 -0.229,651 0.233,652 -0.121,653 0.036,654 -0.209,655 0.166,656 -0.146,657 1.446,658 3.42,659 0.955,660 14.942,661 1.016,662 1.135,663 2.388,664 5.7,665 0.669,666 3.258,667 3.584,668 3.892,669 4.19,670 4.454,671 4.564,672 4.727,673 4.852,674 4.89,675 4.905,676 4.974,677 0.653,678 297.35,679 3.258,680 4.796,681 5.659,682 6.544,683 7.428,684 8.322,685 9.215,686 10.113,687 11.011,688 11.912,689 13.5,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,728 1,731 37,733 16,734 1,735 25,737 40,738 15,739 11,740 2,741 4,746 4,747 5,761 11,762 4,777 1,778 1,781 15,782 6,783 2,784 7,787 1,790 5,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,848 22,853 1,854 4,856 1,859 1,870 5.4,872 1,874 1,877 10.333,878 6.583,879 4.778,880 2.172,881 3.054,882 1.425,883 1.002,884 3.406,885 10.236,886 3.526,887 4.155,888 4.803,889 5.445,890 6.01,891 6.414,892 6.893,893 7.335,894 7.604,895 7.945,896 0.833,897 34,898 8.096,900 3.485,901 7.727,902 15.463,904 12.797,905 2.227,906 49,910 153.024,911 71.621,912 70.266,914 53.683,917 71.621,918 206.708,919 70.266,921 13.396,922 37.905,923 124.43,924 27.139,925 4.472,926 141.253,928 153.024,929 141.887,930 53.683,933 157.068,934 42.683,935 11,937 38.8,938 48.687,939 50.357,941 153.024,942 123.95,943 71.621,946 153.024,947 25.097,948 49.648,949 16.786,950 104.04,951 153.024,952 123.95,953 71.621,955 0.579,956 0.34,957 0.19,958 0.109,959 19,960 7,961 0.05,962 2,963 1,964 1.095,965 3.47,966 183.032,967 0.095,968 21,969 90.107,974 13.491,975 5.555,976 2.548,977 1.476,978 107.164,979 8.478,980 13.465,981 3.115,984 2.505,986 59.469,987 348.595,988 33,999 37.582,1000 41.986,1001 0.321,1002 0.728,1003 0.834,1004 0.855,1005 0.855,1006 0.855,1007 4.754,1008 1.048,1009 5.631,1010 2.921,1011 4.263,1012 4.84,1013 1.235,1014 6.447,1015 4.135,1016 5.953,1017 1,1018 7.185,1019 2.388,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.588,1025 7.26,1026 1,1027 8.841,1028 2.275,1029 5.849,1030 7.092,1031 0.938,1032 10.48,1033 5.612,1034 8.607,1035 0.547,1036 10.562,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.247,1042 5.932,1043 9.992,1044 -0.171,1045 12.324,1046 1.49,1047 7.734,1048 9.675,1049 0.732,1050 14.883,1051 7.392,1052 11.402,1053 -0.434,1054 14.115,1055 -0.385,1056 8.506,1057 10.779,1058 0.188,1059 17.002,1060 8.111,1061 12.832,1062 -0.825,1063 15.927,1064 -1.151,1065 9.79,1066 12.445,1067 0.57,1068 19.471,1069 9.34,1070 3.193,1071 -0.949,1072 17.754,1073 -2.085,1074 10.756,1075 13.756,1076 0.125,1077 21.741,1078 10.248,1079 2.761,1080 11.011,1081 19.593,1082 -2.347,1083 11.947,1084 15.324,1085 0.438,1086 24.155,1087 11.383,1088 2.504,1089 8.921,1090 21.442,1091 4.529,1092 13.007,1093 16.735,1094 0.082,1095 26.491,1096 12.381,1097 2.27,1098 7.807,1099 23.298,1100 3.758,1101 14.164,1102 18.262,1103 0.334,1104 28.888,1105 13.479,1106 1.791,1107 6.092,1108 25.16,1109 3.108,1110 15.269,1111 19.722,1112 0.054,1113 31.255,1114 14.521,1115 1.49,1116 4.788,1117 27.028,1118 3.022,1119 16.416,1120 21.234,1121 0.252,1122 33.647,1123 15.608,1124 1.236,1125 4.213,1126 28.9,1127 2.182,1128 17.544,1129 22.718,1130 0.035,1131 36.029,1132 16.672,1133 4614,1134 7874,1135 17.394,1136 24.745,1137 37.891,1138 37.829,1139 38.155,1140 37.691,1141 37.676,1142 49.736,1143 3.32,1144 108.083,1145 35.185,1146 5.603,1147 5.304,1148 6.533,1149 5.236,1150 5.193,1151 7.529,1152 1.72,1153 18.221,1154 5.001,1155 6.007,1156 1.516,1157 1.513,1158 1.526,1159 1.508,1160 1.507,1161 1.989,1162 0.133,1163 4.323,1164 1.407,1165 4.102,1166 4.155,1167 4.08,1168 3.94,1169 6.471,1170 3.966,1171 3.863,1172 3.891,1173 3.807,1174 3.763,1175 5.179,1176 3.773,1177 3.723,1178 3.783,1179 3.608,1180 3.492,1181 4.679,1182 3.511,1183 3.273,1184 3.334,1185 3.224,1186 3.048,1187 4.616,1188 3.084,1189 3.111,1190 3.206,1191 2.884,1192 2.941,1193 4.381,1194 2.91,1195 2.954,1196 3.004,1197 2.866,1198 2.735,1199 4.032,1200 2.743,1201 2.854,1202 2.925,1203 2.687,1204 2.71,1205 3.674,1206 2.715,1207 2.746,1208 2.801,1209 2.645,1210 2.448,1211 3.598,1212 2.488,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.603,1219 0.181,1220 3.304,1221 0.034,1222 6.731,1223 0.44,1224 4.133,1225 0.12,1226 3.193,1227 4.529,1228 0.86,1229 11.011,1230 3.001,1231 1.935,1232 1.907,1233 2.015,1234 2.08,1235 1.216,1236 2.057,1237 1.776,1238 1.733,1239 1.928,1240 1.947,1241 1.078,1242 1.946,1243 1.575,1244 1.525,1245 1.704,1246 1.796,1247 0.825,1248 1.776,1249 1.33,1250 1.245,1251 1.513,1252 1.638,1253 0.812,1254 1.598,1255 1.153,1256 1.064,1257 1.477,1258 1.376,1259 0.363,1260 1.429,1261 0.945,1262 0.921,1263 1.181,1264 1.16,1265 0.229,1266 1.127,1267 0.886,1268 0.821,1269 1.081,1270 1.106,1271 0.218,1272 1.107,1273 0.736,1274 0.656,1275 1.052,1276 1.062,1277 0.129,1278 1.086,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.398,1286 6.605,1287 10.068,1294 9.42,1295 2.961,1297 5.404,1300 2.176,1305 24.171,1306 61.933,1307 140.385,1308 160.75,1309 164.75,1310 164.75,1311 164.75,1312 25.759,1313 7.182,1314 87.16,1315 87.16,1316 23,1317 12.434,1318 4.087,1319 3.17,1320 29.704,1321 66,1322 71,1323 0.228,1324 146.554,1325 240.02,1326 349.352,1327 11480,1329 14.941,1330 0.679,1331 0.539,1332 14.941,1333 11.859,1334 10.81,1335 0.432,1336 0.286,1337 6.996,1338 10.247,1339 6.916,1340 5.653,1341 10.81,1342 7.143,1343 9.668,1344 0.276,1345 0.146,1346 9.668,1347 5.118,1348 8.431,1349 0.176,1350 0.077,1351 8.431,1352 3.703,1353 7.178,1354 0.11,1355 0.039,1356 7.178,1357 2.561,1358 5.993,1359 0.071,1360 0.02,1361 5.993,1362 1.733,1363 0.344,1364 68.735,1365 0.24,1366 21.261,1367 0.67,1368 120,1369 370.799,1370 135.168,1371 353.826,1372 491.38,1373 334,1374 143,1375 368.554,1376 159.197,1377 369.684,1378 547.48,1379 349,1380 5.596}
{0 CHEMBL592445,1 1.587,2 19,3 2.525,4 6.377,5 171.974,6 7.161,7 0.36,8 4.558,9 4.69,10 4.097,11 4.004,12 5.586,13 4.001,14 5.149,15 5.349,16 4.452,17 4.409,18 6.16,19 4.381,20 5.399,21 5.621,22 4.514,23 4.596,24 6.351,25 4.529,26 5.485,27 5.741,28 4.472,29 4.592,30 6.473,31 4.504,32 5.438,33 5.693,34 4.457,35 4.54,36 6.454,37 4.463,38 5.329,39 5.569,40 4.422,41 4.519,42 6.289,43 4.447,44 5.308,45 5.52,46 4.419,47 4.57,48 6.273,49 4.483,50 5.444,51 5.683,52 4.367,53 4.596,54 6.454,55 4.465,56 0.053,57 1.341,58 19.084,59 7.019,60 9.984,61 10.228,62 0.792,63 2.113,64 38.62,65 11.687,66 50.118,67 17.25,68 0.691,69 2.559,70 50.203,71 15.164,72 58.011,73 23.323,74 0.773,75 2.631,76 56.369,77 16.246,78 89.157,79 25.524,80 0.917,81 2.468,82 54.407,83 15.176,84 105.924,85 24.002,86 0.762,87 2.368,88 47.407,89 14.092,90 66.183,91 21.761,92 0.585,93 2.377,94 44.625,95 15.444,96 50.504,97 22.85,98 0.855,99 2.437,100 53.242,101 19.374,102 117.221,103 27.817,104 18,105 69,106 0.238,107 0.523,108 0.673,109 0.713,110 0.727,111 0.737,112 3.831,113 0.935,114 -4.07,115 -4.02,116 -3.8,119 37.2,121 2,124 2,125 10,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 8,178 2,179 1,180 4,183 9,186 2,187 8,192 4,195 4,198 4,199 17,204 6,207 2,211 4,212 10,217 4,220 4,223 1,224 9,227 4,229 2,232 8,236 4,237 4,245 8,249 4,250 6,253 7,255 2,258 8,263 4,271 4,275 4765,276 30.739,277 30.739,278 30.739,279 30.739,280 30.739,281 28.486,282 47.285,283 18.262,284 31.741,285 24.709,286 24.709,287 24.709,288 24.709,289 24.709,290 21.106,291 73.538,292 8.727,293 26.271,294 4.839,295 2.937,296 1.936,297 1.669,298 1.576,299 1.506,300 4.544,306 1886,307 4.062,311 1047.07,318 3.067,319 44.93,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 98.5,331 855,332 4.394,333 3.694,334 6.396,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.934,341 4.268,342 3.562,343 6.383,344 3.974,345 2.994,346 3.802,347 1.2,348 9.685,349 2.86,350 4.068,351 3.246,352 6.024,353 3.719,354 2.761,355 3.597,356 0.86,357 8.666,358 2.626,359 3.906,360 3.013,361 6.016,362 3.673,363 2.715,364 3.22,365 0.86,366 8.629,367 2.593,368 3.795,369 2.971,370 5.913,371 3.591,372 2.684,373 3.035,374 0.8,375 8.149,376 2.484,377 3.754,378 2.811,379 5.574,380 3.558,381 2.599,382 2.972,383 0.8,384 7.638,385 2.432,386 3.675,387 2.583,388 5.362,389 3.351,390 2.391,391 2.753,392 0.8,393 6.982,394 2.292,395 3.399,396 2.453,397 5.15,398 3.05,399 2.09,400 2.588,401 0.293,402 6.137,403 1.999,404 3.152,405 2.308,406 4.723,407 2.866,408 1.937,409 2.269,410 0.247,411 5.199,412 1.808,413 3.076,414 2.292,415 4.596,416 2.767,417 1.793,418 2.16,420 4.84,421 1.714,422 2.838,423 2.25,424 4.283,425 2.577,426 1.697,427 1.879,428 4.065,429 1.488,430 2.733,431 1.873,432 4.186,433 2.294,434 1.371,435 1.808,436 3.671,437 1.264,438 2.527,439 1.715,440 3.918,441 2.261,442 1.3,443 1.5,445 3.11,446 1.238,447 2.5,448 1.407,449 3.539,450 2,451 1.086,452 1.5,454 2.669,455 1,456 2.5,457 1.288,458 3.508,459 2,460 1,461 1.459,463 2.509,464 1,465 20.933,466 0.465,467 1.006,468 0.022,469 55,470 1.222,471 23,472 0.511,473 32,474 0.711,475 44.464,476 0.988,477 50.467,478 0.587,479 49.005,480 1.089,481 10.849,482 0.241,483 11.075,484 0.246,485 0.08,487 0.315,493 0.841,494 1.717,495 0.806,496 1.323,497 0.591,498 1.09,499 1.063,500 0.947,501 0.956,502 0.884,503 0.61,504 0.896,505 1.055,506 1.215,507 1.028,508 1.065,509 0.861,510 1.041,511 0.966,512 1.054,513 0.985,514 1.003,515 1.19,516 0.987,517 1.032,518 1.006,519 0.926,520 0.877,521 1.4,522 0.877,523 0.955,524 0.942,525 0.992,526 0.906,527 0.977,528 0.933,529 0.766,530 1.128,531 1.074,532 1.195,533 0.737,534 1.181,535 0.608,536 1.016,537 0.998,538 1.247,539 0.821,540 1.215,541 8.5,542 0.268,543 4.889,544 2.438,545 1.942,546 1.917,547 1.011,548 0.47,549 0.433,550 0.416,551 44282,552 105491,553 2.133,554 47.7,556 35,559 2,562 4,564 1.822,565 2.03,566 4.137,567 0.159,573 136.47,574 1.587,575 3.489,576 4.49,577 4.758,578 4.851,579 4.92,580 3.59,581 4.497,582 5.462,583 4.403,584 4359.24,585 9.646,586 89615.2,591 552.659,592 1.277,593 5.438,594 0.17,595 0.006,596 0.071,597 0.034,598 0.029,599 0.029,600 0.015,601 0.007,602 0.007,603 0.009,604 0.378,605 0.33,606 0.63,607 0.554,608 270.139,609 -0.037,610 -0.407,611 0.08,612 -0.175,613 -0.013,614 -0.049,615 0.044,616 0.217,617 0.02,618 0.113,619 0.088,620 0.063,621 -0.098,622 -0.133,623 -0.062,624 -0.051,625 -0.02,626 -0.051,627 -0.059,628 -0.034,629 -0.003,630 -0.033,631 -0.035,632 -0.009,633 -0.02,634 -0.008,635 0.072,636 0.085,637 -0.067,638 0.095,639 -0.054,640 0.137,641 -0.022,642 0.081,643 -0.055,644 0.046,645 0.011,646 -0.011,647 -0.146,648 -0.127,649 -0.013,650 -0.154,651 0.218,652 -0.035,653 -0.049,654 -0.179,655 0.185,656 -0.17,657 2.044,658 5.965,659 0.8,660 71.877,661 1.004,662 1.139,663 2.84,664 8.064,665 0.64,666 3.932,667 4.248,668 4.511,669 4.745,670 5.004,671 5.088,672 5.283,673 5.38,674 5.485,675 5.609,676 11.132,677 0.61,678 615.82,679 3.932,680 5.476,681 6.323,682 7.189,683 8.048,684 8.919,685 9.785,686 10.658,687 11.527,688 12.403,689 10.5,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 86,733 20,734 2,735 50,737 91,738 32,739 15,740 4,741 8,742 1,746 6,747 6,751 1,755 3,758 3,761 17,762 15,766 2,771 2,775 2,781 41,782 13,783 2,784 13,790 9,794 1,795 4,812 6,836 1,839 2,840 6,844 2,848 45,854 12,855 2,856 2,858 1,859 4,870 4.7,873 2,874 2,877 22.167,878 15.817,879 9.833,880 5.253,881 3.475,882 1.386,883 0.978,884 10.309,885 12.488,886 4.127,887 4.64,888 5.143,889 5.658,890 6.197,891 6.454,892 6.878,893 7.206,894 7.485,895 7.839,896 1,897 72,898 16.739,900 7.119,901 7.663,902 32.357,904 26.69,905 2.163,906 97.333,910 459.073,911 155.667,912 98.875,914 72.29,917 155.667,918 531.363,919 98.875,920 16.793,921 75.219,922 75.81,923 127.351,924 23.586,925 8.074,926 459.073,928 459.073,929 254.542,930 72.29,933 414.316,934 97.374,935 22,937 82.141,938 119.716,939 50.357,941 459.073,942 171.165,943 155.667,946 459.073,947 63.064,948 105.1,949 36.022,950 122.646,951 459.073,952 171.165,953 155.667,955 0.58,956 0.335,957 0.176,958 0.098,959 32,960 14,961 0.077,962 7,964 1,965 5.538,966 457.905,968 36,969 209.133,974 31.487,975 14.733,976 8.026,978 171.165,979 14.442,980 14.36,984 4.496,986 36.022,987 785.905,988 61,993 25.727,997 -0.354,999 86.363,1000 97.966,1001 0.247,1002 0.543,1003 0.699,1004 0.74,1005 0.755,1006 0.766,1007 5.382,1008 2.09,1009 6.293,1010 6.982,1011 4.934,1012 5.328,1013 2.675,1014 7.072,1015 4.823,1016 6.541,1017 1.937,1018 7.832,1019 6.137,1020 4.443,1021 5.007,1022 1.577,1023 7.888,1024 4.285,1025 7.819,1026 1.793,1027 9.468,1028 5.199,1029 6.503,1030 7.369,1031 2.906,1032 10.962,1033 6.287,1034 9.127,1035 1.697,1036 11.162,1037 4.84,1038 6.825,1039 7.853,1040 2.49,1041 12.587,1042 6.567,1043 10.467,1044 1.371,1045 12.892,1046 4.065,1047 8.333,1048 9.71,1049 3.489,1050 15.152,1051 8.02,1052 11.829,1053 1.3,1054 14.646,1055 3.671,1056 9.034,1057 10.575,1058 3.482,1059 17.115,1060 8.678,1061 13.206,1062 1.086,1063 16.417,1064 3.11,1065 10.303,1066 12.207,1067 4.274,1068 19.491,1069 9.896,1070 3.07,1071 1,1072 18.201,1073 2.669,1074 11.193,1075 13.28,1076 4.502,1077 21.609,1078 10.742,1079 2.994,1080 9.93,1081 19.993,1082 2.509,1083 12.354,1084 14.797,1085 5.169,1086 23.913,1087 11.856,1088 2.761,1089 9.685,1090 21.793,1091 4.05,1092 13.34,1093 15.99,1094 5.524,1095 26.105,1096 12.797,1097 2.715,1098 8.666,1099 23.599,1100 3.802,1101 14.455,1102 17.444,1103 6.119,1104 28.382,1105 13.867,1106 2.684,1107 8.629,1108 25.41,1109 3.597,1110 15.49,1111 18.71,1112 6.542,1113 30.612,1114 14.858,1115 2.599,1116 8.149,1117 27.224,1118 3.22,1119 16.586,1120 20.129,1121 7.097,1122 32.881,1123 15.91,1124 2.391,1125 7.638,1126 29.042,1127 3.035,1128 17.648,1129 21.44,1130 7.557,1131 35.131,1132 16.928,1133 40866,1134 63396,1135 34.096,1136 55.052,1137 75.266,1138 77.285,1139 76.058,1140 74.828,1141 74.795,1142 90.07,1143 15.032,1144 210.562,1145 70.649,1146 5.394,1147 5.694,1148 6.197,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.69,1154 4.934,1155 19.777,1156 1.505,1157 1.546,1158 1.521,1159 1.497,1160 1.496,1161 1.801,1162 0.301,1163 4.211,1164 1.413,1165 4.03,1166 4.077,1167 3.984,1168 3.912,1169 7.432,1170 3.92,1171 3.949,1172 3.992,1173 3.899,1174 3.852,1175 7.427,1176 3.856,1177 3.849,1178 3.903,1179 3.772,1180 3.694,1181 5.077,1182 3.696,1183 3.817,1184 3.867,1185 3.72,1186 3.634,1187 4.734,1188 3.66,1189 3.744,1190 3.803,1191 3.625,1192 3.516,1193 4.692,1194 3.533,1195 3.564,1196 3.618,1197 3.489,1198 3.323,1199 4.616,1200 3.358,1201 3.489,1202 3.568,1203 3.397,1204 3.236,1205 4.59,1206 3.264,1207 3.383,1208 3.436,1209 3.282,1210 3.116,1211 4.389,1212 3.15,1213 0.088,1214 0.074,1215 0.128,1216 0.08,1217 0.061,1218 4.394,1219 0.081,1220 3.694,1221 0.033,1222 6.396,1223 0.199,1224 3.994,1225 0.059,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.934,1231 1.937,1232 1.907,1233 2.06,1234 2.082,1235 1.411,1236 2.069,1237 1.917,1238 1.888,1239 2.021,1240 2.065,1241 1.208,1242 2.055,1243 1.816,1244 1.757,1245 1.983,1246 1.987,1247 1.187,1248 1.984,1249 1.757,1250 1.699,1251 1.93,1252 1.945,1253 1.104,1254 1.95,1255 1.679,1256 1.619,1257 1.903,1258 1.933,1259 1.087,1260 1.926,1261 1.449,1262 1.394,1263 1.728,1264 1.724,1265 0.835,1266 1.72,1267 1.423,1268 1.338,1269 1.536,1270 1.693,1271 0.825,1272 1.665,1273 1.262,1274 1.213,1275 1.513,1276 1.553,1277 0.825,1278 1.511,1279 4.615,1281 5.932,1283 7.444,1285 9.034,1287 10.665,1289 4.168,1295 8.865,1296 5.714,1297 11.031,1299 0.515,1300 8.37,1305 52.481,1306 136.47,1307 300.059,1308 386.129,1309 409.149,1310 417.149,1311 423.149,1312 83.143,1313 9.013,1314 128.29,1315 128.29,1316 36,1317 12.943,1318 4.392,1319 3.585,1320 68.951,1321 307,1322 310,1323 0.106,1324 318.297,1325 560.42,1326 768.405,1327 138876,1329 31.175,1330 0.693,1331 0.577,1332 31.175,1333 25.945,1334 21.924,1335 0.438,1336 0.312,1337 15.275,1338 20.784,1339 14.965,1340 12.299,1341 21.924,1342 15.585,1343 19.7,1344 0.286,1345 0.169,1346 19.7,1347 11.679,1348 16.617,1349 0.185,1350 0.094,1351 16.617,1352 8.472,1353 13.623,1354 0.119,1355 0.05,1356 13.623,1357 5.753,1358 11.185,1359 0.076,1360 0.026,1361 11.185,1362 3.89,1363 0.176,1364 139.208,1365 0.171,1366 40.545,1367 0.27,1368 238,1369 703.124,1370 268.001,1371 664.052,1372 907.91,1373 626,1374 278,1375 662.714,1376 308.839,1377 666.034,1378 979.63,1379 625,1380 9.398}
{0 CHEMBL592461,1 1.571,2 19.83,3 2.986,4 8.917,5 179.515,6 7.132,7 0.34,8 4.608,9 4.739,10 4.148,11 4.07,12 5.604,13 4.063,14 5.214,15 5.409,16 4.51,17 4.491,18 6.2,19 4.455,20 5.488,21 5.726,22 4.545,23 4.657,24 6.391,25 4.578,26 5.513,27 5.766,28 4.519,29 4.64,30 6.481,31 4.554,32 5.488,33 5.735,34 4.513,35 4.621,36 6.48,37 4.54,38 5.432,39 5.679,40 4.464,41 4.603,42 6.347,43 4.514,44 5.396,45 5.63,46 4.446,47 4.616,48 6.305,49 4.521,50 5.461,51 5.696,52 4.424,53 4.629,54 6.472,55 4.506,56 0.041,57 1.412,58 20.114,59 7.583,60 8.847,61 10.923,62 0.754,63 2.283,64 40.912,65 12.938,66 49.458,67 18.912,68 0.745,69 2.749,70 55.739,71 16.684,72 60.481,73 25.796,74 0.745,75 2.752,76 57.739,77 17.09,78 86.415,79 26.51,80 0.874,81 2.659,82 56.533,83 16.617,84 101.402,85 25.738,86 0.753,87 2.595,88 52.745,89 16.176,90 68.78,91 24.883,92 0.662,93 2.524,94 49.977,95 16.636,96 53.529,97 24.992,98 0.796,99 2.52,100 53.877,101 19.895,102 110.043,103 28.396,104 5,105 73,106 0.233,107 0.505,108 0.65,109 0.722,110 0.736,111 0.745,112 3.874,113 0.952,114 -4.44,115 -4.37,116 -4.12,119 37.8,121 4,125 12,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 9,174 8,175 10,178 2,179 1,180 4,183 9,186 2,187 8,192 4,195 4,198 4,199 17,204 6,207 6,211 4,212 10,217 4,220 4,223 1,224 11,227 4,229 2,232 8,236 4,237 4,245 8,249 4,250 8,253 7,255 2,258 10,263 4,271 8,275 5387,276 32.601,277 32.601,278 32.601,279 32.601,280 32.601,281 30.348,282 50.447,283 19.479,284 33.604,285 26.229,286 26.229,287 26.229,288 26.229,289 26.229,290 22.626,291 77.073,292 9.333,293 27.814,294 4.92,295 3.089,296 2.111,297 1.622,298 1.533,299 1.467,300 4.596,306 2095,307 3.742,310 172.005,311 1093.71,318 3.217,319 45.891,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 102.5,331 932,332 4.394,333 3.694,334 6.398,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.936,341 4.268,342 3.562,343 6.383,344 3.979,345 3.003,346 3.802,347 1.2,348 9.698,349 2.86,350 4.068,351 3.246,352 6.133,353 3.776,354 2.823,355 3.597,356 0.86,357 9.012,358 2.684,359 3.917,360 3.105,361 6.024,362 3.713,363 2.754,364 3.221,365 0.86,366 8.666,367 2.617,368 3.834,369 3.013,370 6.016,371 3.591,372 2.684,373 3.035,374 0.8,375 8.629,376 2.496,377 3.795,378 2.811,379 5.575,380 3.571,381 2.611,382 2.972,383 0.8,384 7.643,385 2.432,386 3.701,387 2.587,388 5.366,389 3.361,390 2.4,391 2.854,392 0.8,393 6.993,394 2.301,395 3.411,396 2.455,397 5.164,398 3.1,399 2.135,400 2.605,401 0.293,402 6.214,403 2.051,404 3.191,405 2.356,406 4.724,407 2.906,408 1.954,409 2.308,410 0.247,411 5.205,412 1.873,413 3.081,414 2.296,415 4.6,416 2.8,417 1.841,418 2.164,420 4.861,421 1.734,422 2.838,423 2.25,424 4.481,425 2.679,426 1.703,427 1.879,428 4.538,429 1.655,430 2.827,431 1.89,432 4.283,433 2.577,434 1.697,435 1.838,436 4.065,437 1.488,438 2.732,439 1.787,440 4.185,441 2.287,442 1.367,443 1.804,445 3.669,446 1.251,447 2.5,448 1.715,449 3.698,450 2.025,451 1.087,452 1.5,454 2.669,455 1.016,456 2.5,457 1.288,458 3.508,459 2,460 1.017,461 1.5,463 2.509,464 1,465 21.933,466 0.467,467 0.93,468 0.02,469 56.5,470 1.202,471 23,472 0.489,473 33.5,474 0.713,475 48.133,476 1.024,477 52.467,478 0.583,479 49.017,480 1.043,481 10.772,482 0.229,483 12.314,484 0.262,485 0.03,487 0.301,493 0.83,494 1.666,495 0.804,496 1.292,497 0.566,498 1.074,499 1.026,500 1.04,501 0.986,502 0.979,503 0.594,504 0.976,505 1.041,506 1.138,507 1.007,508 1.003,509 0.811,510 0.994,511 0.974,512 1.04,513 0.977,514 0.985,515 1.191,516 0.971,517 1.026,518 1.045,519 0.971,520 0.942,521 1.38,522 0.942,523 0.888,524 0.996,525 0.992,526 0.97,527 0.915,528 0.983,529 0.769,530 1.015,531 1.01,532 1.063,533 0.728,534 1.063,535 0.602,536 1.03,537 0.977,538 1.25,539 0.821,540 1.201,541 8,542 0.259,543 4.889,544 2.215,545 1.872,546 1.91,547 1.035,548 0.492,549 0.433,550 0.385,551 53012,552 119443,553 2.191,554 47.8,556 33,559 2,561 4,562 4,564 1.831,565 2.12,566 4.199,567 0.137,573 141.434,574 1.571,575 3.403,576 4.381,577 4.87,578 4.959,579 5.025,580 3.637,581 4.704,582 5.526,583 4.473,584 4835.36,585 9.768,586 103669,591 584.267,592 1.11,593 5.515,594 0.151,595 0.006,596 0.067,597 0.03,598 0.026,599 0.027,600 0.015,601 0.007,602 0.007,603 0.008,604 0.344,605 0.17,606 0.63,607 0.312,608 286.376,609 -0.031,610 -0.365,611 0.084,612 -0.147,613 0.008,614 -0.033,615 0.056,616 0.129,617 -0.016,618 0.031,619 0.092,620 -0.008,621 -0.087,622 -0.088,623 -0.03,624 -0.011,625 0.007,626 -0.011,627 -0.057,628 -0.011,629 0.006,630 -0.013,631 -0.018,632 0.007,633 -0.025,634 -0.027,635 0.019,636 0.036,637 -0.056,638 0.036,639 -0.023,640 0.056,641 -0.023,642 0.019,643 -0.031,644 0.004,645 0.022,646 0.053,647 -0.062,648 -0.032,649 -0.015,650 -0.051,651 0.238,652 -0.042,653 -0.026,654 -0.184,655 0.208,656 -0.159,657 2.037,658 6.116,659 0.872,660 77.576,661 1.003,662 1.138,663 3.208,664 10.294,665 0.642,666 3.989,667 4.304,668 4.585,669 4.836,670 5.069,671 5.159,672 5.361,673 5.485,674 5.595,675 5.707,676 11.673,677 0.611,678 641.86,679 3.989,680 5.533,681 6.385,682 7.253,683 8.116,684 8.989,685 9.857,686 10.732,687 11.603,688 12.48,689 10,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 90,733 20,734 2,735 53,737 96,738 34,739 15,740 4,741 8,742 1,746 7,747 7,751 1,755 5,758 5,761 17,762 17,766 2,771 2,775 2,781 43,782 13,783 2,784 13,790 9,794 1,795 4,808 1,811 1,812 6,836 1,839 2,840 7,848 47,854 16,855 2,856 2,858 1,859 4,870 4.4,873 2,874 2,877 22.167,878 15.817,879 10.25,880 5.803,881 3.501,882 1.375,883 0.994,884 10.344,885 12.847,886 4.174,887 4.677,888 5.183,889 5.696,890 6.217,891 6.473,892 6.894,893 7.226,894 7.505,895 7.857,896 0.923,897 74,898 17.526,900 7.553,901 7.613,902 34.209,904 28.844,905 2.113,906 99.333,910 482.615,911 148.155,912 98.875,914 72.29,917 148.155,918 554.905,919 98.875,921 84.499,922 75.81,923 127.351,924 23.586,925 8.074,926 482.615,928 482.615,929 247.03,930 72.29,933 390.774,934 144.459,935 22,937 91.422,938 102.924,939 50.357,941 482.615,942 171.165,943 148.155,946 482.615,947 72.345,948 88.307,949 36.022,950 122.646,951 482.615,952 171.165,953 148.155,955 0.578,956 0.338,957 0.183,958 0.098,959 35,960 14,961 0.073,962 7,964 1,965 5.809,966 490.634,968 41,969 221.066,974 32.073,975 15.158,976 7.977,978 171.165,979 14.551,980 14.386,984 4.545,986 36.022,987 801.935,988 64,993 25.932,997 -0.321,999 90.247,1000 102.381,1001 0.242,1002 0.524,1003 0.675,1004 0.75,1005 0.764,1006 0.774,1007 5.432,1008 2.135,1009 6.347,1010 6.993,1011 4.99,1012 5.366,1013 2.675,1014 7.127,1015 4.882,1016 6.579,1017 1.954,1018 7.882,1019 6.214,1020 4.443,1021 5.007,1022 1.577,1023 7.932,1024 4.285,1025 7.854,1026 1.841,1027 9.515,1028 5.205,1029 6.555,1030 7.391,1031 2.906,1032 11.023,1033 6.342,1034 9.158,1035 1.703,1036 11.206,1037 4.861,1038 6.858,1039 7.865,1040 2.49,1041 12.658,1042 6.597,1043 10.497,1044 1.697,1045 12.936,1046 4.538,1047 8.384,1048 9.723,1049 3.489,1050 15.227,1051 8.07,1052 11.857,1053 1.367,1054 14.692,1055 4.065,1056 9.08,1057 10.585,1058 3.482,1059 17.2,1060 8.718,1061 13.234,1062 1.087,1063 16.465,1064 3.669,1065 10.357,1066 12.216,1067 4.274,1068 19.579,1069 9.944,1070 3.07,1071 1.017,1072 18.252,1073 2.669,1074 11.247,1075 13.287,1076 4.502,1077 21.703,1078 10.788,1079 3.003,1080 9.93,1081 20.048,1082 2.509,1083 12.412,1084 14.802,1085 5.169,1086 24.007,1087 11.905,1088 2.823,1089 9.698,1090 21.851,1091 4.05,1092 13.4,1093 15.994,1094 5.524,1095 26.202,1096 12.846,1097 2.754,1098 9.012,1099 23.66,1100 3.802,1101 14.517,1102 17.447,1103 6.119,1104 28.479,1105 13.917,1106 2.684,1107 8.666,1108 25.473,1109 3.597,1110 15.555,1111 18.712,1112 6.542,1113 30.708,1114 14.908,1115 2.611,1116 8.629,1117 27.29,1118 3.221,1119 16.652,1120 20.131,1121 7.097,1122 32.976,1123 15.961,1124 2.4,1125 7.643,1126 29.111,1127 3.035,1128 17.716,1129 21.441,1130 7.557,1131 35.224,1132 16.979,1133 47742,1134 72054,1135 36.868,1136 57.813,1137 79.416,1138 81.592,1139 79.712,1140 79.253,1141 79.202,1142 94.478,1143 15.032,1144 222.611,1145 75.001,1146 5.394,1147 5.694,1148 6.2,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.699,1154 4.936,1155 13.724,1156 1.498,1157 1.539,1158 1.504,1159 1.495,1160 1.494,1161 1.783,1162 0.284,1163 4.2,1164 1.415,1165 4.037,1166 4.085,1167 3.987,1168 3.915,1169 7.432,1170 3.924,1171 3.956,1172 4.005,1173 3.902,1174 3.852,1175 7.427,1176 3.857,1177 3.887,1178 3.935,1179 3.792,1180 3.752,1181 5.077,1182 3.752,1183 3.829,1184 3.876,1185 3.757,1186 3.635,1187 4.734,1188 3.663,1189 3.744,1190 3.803,1191 3.625,1192 3.535,1193 4.692,1194 3.533,1195 3.694,1196 3.761,1197 3.568,1198 3.516,1199 4.616,1200 3.529,1201 3.557,1202 3.61,1203 3.474,1204 3.321,1205 4.59,1206 3.354,1207 3.413,1208 3.454,1209 3.351,1210 3.16,1211 4.392,1212 3.205,1213 0.083,1214 0.07,1215 0.121,1216 0.075,1217 0.058,1218 4.394,1219 0.076,1220 3.694,1221 0.031,1222 6.398,1223 0.187,1224 3.994,1225 0.055,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.936,1231 1.937,1232 1.907,1233 2.055,1234 2.082,1235 1.418,1236 2.066,1237 1.917,1238 1.888,1239 2.02,1240 2.061,1241 1.211,1242 2.053,1243 1.812,1244 1.754,1245 1.979,1246 1.983,1247 1.208,1248 1.98,1249 1.756,1250 1.699,1251 1.93,1252 1.942,1253 1.187,1254 1.948,1255 1.679,1256 1.619,1257 1.903,1258 1.933,1259 1.104,1260 1.926,1261 1.577,1262 1.507,1263 1.86,1264 1.751,1265 1.088,1266 1.793,1267 1.447,1268 1.394,1269 1.645,1270 1.712,1271 0.946,1272 1.674,1273 1.396,1274 1.323,1275 1.536,1276 1.657,1277 0.825,1278 1.65,1279 4.673,1281 5.989,1282 2.398,1283 7.498,1284 4.443,1285 9.088,1286 6.293,1287 10.719,1295 14.054,1296 5.747,1297 11.046,1299 0.605,1300 8.787,1305 55.007,1306 141.434,1307 306.292,1308 394.267,1309 438.267,1310 446.267,1311 452.267,1312 81.469,1313 9.346,1314 128.29,1315 128.29,1316 41,1317 13.019,1318 4.392,1319 3.585,1320 67.016,1321 337,1322 325,1323 0.094,1324 330.089,1325 582.66,1326 797.176,1327 215878,1329 32.003,1330 0.681,1331 0.57,1332 32.003,1333 26.773,1334 23.086,1335 0.436,1336 0.317,1337 16.522,1338 21.961,1339 16.307,1340 13.311,1341 23.086,1342 16.823,1343 20.5,1344 0.281,1345 0.171,1346 20.5,1347 12.458,1348 17.741,1349 0.183,1350 0.097,1351 17.741,1352 9.399,1353 14.856,1354 0.119,1355 0.054,1356 14.856,1357 6.708,1358 11.905,1359 0.075,1360 0.028,1361 11.905,1362 4.468,1363 0.155,1364 146.01,1365 0.165,1366 42.119,1367 0.235,1368 252,1369 717.124,1370 282.667,1371 676.786,1372 931.75,1373 640,1374 296,1375 685.419,1376 327.505,1377 684.832,1378 1013.41,1379 647,1380 9.155}
{0 CHEMBL592522,1 1.684,2 13.472,3 1.554,4 2.414,5 131.27,6 7.787,7 0.537,8 4.28,9 4.401,10 3.893,11 3.753,12 5.378,13 3.767,14 4.855,15 5.04,16 4.267,17 4.167,18 5.933,19 4.162,20 5.108,21 5.325,22 4.317,23 4.33,24 6.118,25 4.279,26 5.185,27 5.445,28 4.267,29 4.345,30 6.1,31 4.267,32 5.135,33 5.373,34 4.305,35 4.349,36 6.094,37 4.285,38 5.148,39 5.377,40 4.31,41 4.355,42 6.134,43 4.301,44 5.126,45 5.343,46 4.276,47 4.348,48 6.091,49 4.277,50 5.188,51 5.431,52 4.198,53 4.332,54 6.162,55 4.246,56 0.104,57 1.095,58 12.28,59 5.164,60 11.486,61 6.803,62 0.549,63 1.761,64 25.727,65 8.306,66 38.563,67 11.477,68 0.687,69 2.095,70 35.355,71 11.615,72 57.804,73 16.498,74 0.758,75 2.138,76 40.736,77 12.63,78 60.855,79 18.78,80 0.635,81 2.07,82 37.009,83 11.703,84 60.185,85 17.717,86 0.827,87 2.16,88 36.966,89 10.833,90 57.488,91 15.911,92 0.646,93 2.079,94 35.294,95 12.003,96 47.367,97 17.299,98 0.786,99 2.12,100 40.612,101 13.288,102 76.45,103 18.478,104 5,105 58,106 0.267,107 0.612,108 0.798,109 0.842,110 0.842,111 0.842,112 3.616,113 0.891,114 -3.81,115 -3.77,116 -3.58,119 39.7,121 2,125 7,127 1,142 3,143 2,144 1,145 3,146 1,147 2,149 1,160 1,161 1,172 3,174 4,175 10,180 1,183 2,186 4,187 5,190 1,192 1,198 7,199 7,207 2,211 1,212 3,215 2,220 2,223 5,224 8,232 4,236 3,237 2,240 2,245 2,249 3,250 7,253 1,262 1,263 5,268 2,275 2636,276 24.894,277 24.894,278 24.894,279 24.894,280 24.894,281 22.332,282 30.79,283 14.711,284 25.754,285 20.301,286 20.301,287 20.301,288 20.301,289 20.301,290 16.411,291 39.915,292 7.074,293 21.74,294 4.293,295 2.119,296 0.945,297 0.667,298 0.667,299 0.667,300 4.337,305 1,306 1088,307 2.646,310 81.089,311 544.886,314 147.648,318 2.142,319 38.491,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 79.5,331 485,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.078,341 4.19,342 3.085,343 6.33,344 3.819,345 2.871,346 3.81,347 0.86,348 9.599,349 2.736,350 4.035,351 2.987,352 6.124,353 3.723,354 2.769,355 3.62,356 0.8,357 9.006,358 2.636,359 3.983,360 2.877,361 5.644,362 3.633,363 2.685,364 3.354,365 0.172,366 7.779,367 2.547,368 3.609,369 2.83,370 5.531,371 3.366,372 2.438,373 2.996,375 7.149,376 2.261,377 3.589,378 2.529,379 5.156,380 3.183,381 2.257,382 2.778,384 6.377,385 2.085,386 3.401,387 2.378,388 5.05,389 3.1,390 2.163,391 2.549,393 6.074,394 2.009,395 3.169,396 2.301,397 4.837,398 2.87,399 1.94,400 2.252,402 5.469,403 1.786,404 2.944,405 2.105,406 4.723,407 2.627,408 1.713,409 2.138,411 4.8,412 1.559,413 2.888,414 1.544,415 4.326,416 2.399,417 1.471,418 1.956,420 4.039,421 1.361,422 2.652,423 1.532,424 4.079,425 2.147,426 1.263,427 1.718,428 3.176,429 1.109,430 2.5,431 1.256,432 3.751,433 2.099,434 1.178,435 1.5,436 2.893,437 1.082,438 2.492,439 1.197,440 3.476,441 1.984,442 1.04,443 1.488,445 2.528,446 0.983,447 2.383,448 1.077,449 3.414,450 1.968,451 1,452 1.371,454 2.275,455 0.961,456 2.005,457 1.067,458 3.414,459 1.959,460 1,461 1,463 2.275,464 0.956,465 16.652,466 0.463,467 0.794,468 0.022,469 47.25,470 1.313,471 21,472 0.583,473 26.25,474 0.729,475 32.709,476 0.909,477 39.148,478 0.621,479 37.272,480 1.035,481 9.146,482 0.254,483 8.49,484 0.236,485 0.037,487 0.342,492 1,493 0.807,494 1.483,495 0.716,496 1.226,497 0.653,498 1.001,499 0.972,500 0.983,501 0.9,502 0.907,503 0.574,504 0.882,505 0.869,506 1.093,507 0.974,508 1.06,509 0.684,510 1.046,511 0.685,512 0.832,513 0.895,514 0.895,515 0.629,516 0.921,517 0.614,518 1.001,519 0.865,520 0.986,521 0.497,522 0.97,523 0.916,524 0.862,525 1.122,526 0.947,527 0.775,528 1.03,529 0.694,530 1.069,531 1.051,532 1.198,533 0.614,534 1.195,535 1.013,536 0.948,537 1.107,538 1.072,539 1.056,540 1.099,541 6.5,542 0.18,543 3.778,544 1.785,545 1.867,546 1.275,547 0.975,548 0.582,549 0.332,550 0.273,551 20902,552 59004,553 2.203,554 42.9,556 18,558 4,559 1,562 4,564 1.776,565 2.118,566 3.648,567 -0.3,573 106.09,574 1.684,575 3.859,576 5.033,577 5.311,578 5.311,579 5.311,580 3.121,581 4.76,582 5.134,583 3.866,584 2435.72,585 9.043,586 38452,591 376.569,592 1.194,593 5.125,594 0.159,595 0.006,596 0.065,597 0.03,598 0.033,599 0.022,600 0.017,601 0.011,602 0.007,603 0.007,604 0.355,605 0.33,606 0.75,607 0.375,608 195.851,609 -0.065,610 -0.351,611 0.071,612 -0.153,613 -0.017,614 -0.039,615 -0.06,616 0.069,617 -0.007,618 0.063,619 0.07,620 0.043,621 -0.022,622 -0.118,623 -0.044,624 -0.07,625 0.039,626 -0.07,627 0.027,628 0.088,629 0.068,630 0.068,631 0.004,632 0.076,633 0.038,634 -0.106,635 0.061,636 -0.008,637 0.025,638 0.026,639 -0.092,640 0.146,641 -0.191,642 -0.013,643 -0.111,644 -0.095,645 0.038,646 -0.118,647 -0.141,648 -0.204,649 -0.022,650 -0.21,651 -0.075,652 0.044,653 -0.128,654 -0.074,655 -0.073,656 -0.101,657 2.122,658 5.136,659 0.917,660 44.827,661 1.013,662 1.141,663 2.578,664 6.648,665 0.659,666 3.738,667 4.078,668 4.382,669 4.691,670 4.99,671 5.124,672 5.371,673 5.58,674 5.74,675 5.894,676 7.822,677 0.639,678 490.6,679 3.738,680 5.293,681 6.159,682 7.048,683 7.933,684 8.831,685 9.727,686 10.632,687 11.535,688 12.444,689 12.7,692 1,695 1,697 1,699 5,703 2,704 7,705 5,709 6,710 1,711 22,726 1,728 1,730 1,731 63,733 22,735 41,737 68,738 25,739 15,746 6,747 7,755 3,758 3,761 15,762 10,779 1,781 27,782 10,783 1,784 11,787 1,790 8,794 0.833,795 2,805 2,806 1,811 1,812 5,815 1,836 1,839 1,840 5,846 1,848 36,853 1,854 9,856 1,858 1,859 2,869 1,870 3.2,872 1,874 1,877 17,878 11.276,879 7.75,880 3.893,881 3.77,882 1.43,883 0.999,884 6.489,885 12.541,886 3.97,887 4.577,888 5.187,889 5.809,890 6.388,891 6.755,892 7.252,893 7.72,894 8.07,895 8.446,896 0.889,897 59,898 13.346,900 5.82,901 7.741,902 25.665,904 21.721,905 2.241,906 80.667,910 306.049,911 112.551,912 92.075,914 53.683,915 14.96,917 112.551,918 359.732,919 107.035,921 24.782,922 28.429,923 195.029,924 61.093,925 11.02,926 258.964,928 306.049,929 204.626,930 68.643,933 261.292,934 89.768,935 25.96,937 69.426,938 48.944,939 83.928,941 321.009,942 145.759,943 112.551,946 306.049,947 48.361,948 72.337,950 152.571,951 306.049,952 160.719,953 112.551,955 0.583,956 0.339,957 0.187,958 0.109,959 30,960 12,961 0.074,962 5,963 1,964 1.061,965 4.696,966 365.445,967 0.061,968 33,969 178.117,974 23.231,975 10.056,976 4.927,977 1.555,978 158.82,979 11.356,980 22.377,984 2.569,985 2.164,986 42.683,987 579.318,988 52,999 63.818,1000 71.897,1001 0.282,1002 0.646,1003 0.842,1004 0.888,1005 0.888,1006 0.888,1007 5.223,1008 1.94,1009 6.138,1010 6.074,1011 4.762,1012 5.265,1013 1.598,1014 6.956,1015 4.632,1016 6.414,1017 1.713,1018 7.693,1019 5.469,1020 4.29,1021 5.037,1022 0.57,1023 7.847,1024 4.096,1025 7.716,1026 1.471,1027 9.348,1028 4.8,1029 6.358,1030 7.464,1031 1.256,1032 10.979,1033 6.111,1034 9.054,1035 1.263,1036 11.063,1037 4.039,1038 6.723,1039 8.115,1040 0.581,1041 12.741,1042 6.413,1043 10.427,1044 1.178,1045 12.819,1046 3.176,1047 8.237,1048 10.005,1049 1.023,1050 15.392,1051 7.875,1052 11.827,1053 1.04,1054 14.605,1055 2.893,1056 9,1057 11.088,1058 0.515,1059 17.528,1060 8.575,1061 13.247,1062 1,1063 16.413,1064 2.528,1065 10.287,1066 12.755,1067 0.84,1068 20.023,1069 9.807,1070 3.289,1071 1,1072 18.238,1073 2.275,1074 11.251,1075 14.06,1076 0.441,1077 22.326,1078 10.704,1079 2.871,1080 11.617,1081 20.078,1082 2.275,1083 12.447,1084 15.634,1085 0.689,1086 24.773,1087 11.842,1088 2.769,1089 9.599,1090 21.93,1091 4.638,1092 13.511,1093 17.051,1094 0.373,1095 27.15,1096 12.838,1097 2.685,1098 9.006,1099 23.791,1100 3.81,1101 14.677,1102 18.59,1103 0.564,1104 29.586,1105 13.941,1106 2.438,1107 7.779,1108 25.661,1109 3.62,1110 15.792,1111 20.063,1112 0.314,1113 31.998,1114 14.988,1115 2.257,1116 7.149,1117 27.538,1118 3.354,1119 16.952,1120 21.591,1121 0.461,1122 34.435,1123 16.082,1124 2.163,1125 6.377,1126 29.421,1127 2.996,1128 18.094,1129 23.093,1130 0.264,1131 36.864,1132 17.155,1133 19107,1134 32269,1135 28.433,1136 41.506,1137 62.255,1138 62.598,1139 62.921,1140 62.082,1141 61.99,1142 78.629,1143 5.498,1144 179.248,1145 57.861,1146 5.694,1147 5.38,1148 6.705,1149 5.328,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.019,1155 12.061,1156 1.518,1157 1.527,1158 1.535,1159 1.514,1160 1.512,1161 1.918,1162 0.134,1163 4.372,1164 1.411,1165 4.138,1166 4.191,1167 4.114,1168 3.963,1169 8.203,1170 3.995,1171 3.917,1172 3.965,1173 3.859,1174 3.791,1175 6.471,1176 3.801,1177 3.85,1178 3.889,1179 3.803,1180 3.725,1181 5.141,1182 3.739,1183 3.774,1184 3.829,1185 3.674,1186 3.602,1187 4.788,1188 3.61,1189 3.685,1190 3.744,1191 3.575,1192 3.477,1193 4.769,1194 3.493,1195 3.3,1196 3.368,1197 3.238,1198 3.078,1199 4.62,1200 3.106,1201 3.145,1202 3.211,1203 3.056,1204 2.957,1205 4.46,1206 2.972,1207 3.111,1208 3.206,1209 2.885,1210 2.941,1211 4.266,1212 2.91,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.225,1225 0.075,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.078,1231 1.928,1232 1.885,1233 2.068,1234 2.104,1235 1.431,1236 2.09,1237 1.875,1238 1.834,1239 1.969,1240 2.039,1241 1.212,1242 2.025,1243 1.785,1244 1.741,1245 1.918,1246 1.942,1247 1.073,1248 1.935,1249 1.733,1250 1.685,1251 1.895,1252 1.932,1253 0.981,1254 1.923,1255 1.551,1256 1.503,1257 1.656,1258 1.763,1259 0.825,1260 1.738,1261 1.338,1262 1.263,1263 1.513,1264 1.61,1265 0.825,1266 1.581,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.792,1272 1.429,1273 1.153,1274 1.064,1275 1.502,1276 1.376,1277 0.646,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.284,1284 4.727,1285 8.903,1286 6.862,1287 10.569,1291 13.136,1294 9.979,1295 7.191,1297 5.542,1299 0.25,1300 4.548,1305 40.252,1306 106.09,1307 243.087,1308 317.059,1309 334.569,1310 334.569,1311 334.569,1312 56.807,1313 8.771,1314 105.32,1315 105.32,1316 35,1317 12.962,1318 4.524,1319 3.585,1320 48.956,1321 163,1322 213,1323 0.141,1324 240.49,1325 408.55,1326 578.555,1327 86365,1328 1.6,1329 24.485,1330 0.68,1331 0.55,1332 23.614,1333 19.794,1334 17.636,1335 0.43,1336 0.297,1337 11.939,1338 16.698,1339 11.787,1340 9.617,1341 17.242,1342 12.183,1343 16.037,1344 0.276,1345 0.159,1346 15.415,1347 9.223,1348 13.831,1349 0.175,1350 0.087,1351 13.42,1352 6.841,1353 11.854,1354 0.11,1355 0.046,1356 11.712,1357 4.957,1358 10.257,1359 0.07,1360 0.025,1361 9.966,1362 3.598,1363 0.223,1364 112.21,1365 0.188,1366 32.925,1367 0.388,1368 198,1369 633.157,1370 223.409,1371 580.128,1372 793.78,1373 546,1374 236,1375 586.127,1376 262.99,1377 584.041,1378 863.12,1379 549,1380 7.027}
{0 CHEMBL592615,1 1.618,2 18.19,3 2.347,4 5.509,5 159.646,6 7.288,7 0.391,8 4.473,9 4.606,10 4.019,11 3.902,12 5.54,13 3.907,14 5.04,15 5.24,16 4.353,17 4.282,18 6.105,19 4.262,20 5.257,21 5.476,22 4.389,23 4.442,24 6.262,25 4.383,26 5.321,27 5.581,28 4.357,29 4.409,30 6.343,31 4.34,32 5.244,33 5.487,34 4.373,35 4.359,36 6.34,37 4.318,38 5.15,39 5.357,40 4.372,41 4.397,42 6.202,43 4.353,44 5.244,45 5.448,46 4.357,47 4.501,48 6.255,49 4.423,50 5.378,51 5.616,52 4.303,53 4.555,54 6.375,55 4.414,56 0.087,57 1.228,58 17.135,59 6.162,60 9.567,61 9.013,62 0.8,63 1.87,64 34.415,65 10.141,66 50.557,67 14.916,68 0.723,69 2.201,70 43.338,71 12.801,72 57.737,73 19.638,74 0.715,75 2.223,76 47.902,77 12.892,78 81.143,79 20.937,80 0.959,81 2.082,82 44.476,83 11.081,84 94.804,85 18.045,86 0.602,87 2.075,88 37.899,89 11.599,90 53.386,91 17.473,92 0.742,93 2.217,94 41.684,95 13.815,96 63.027,97 20.244,98 0.737,99 2.305,100 48.888,101 18.837,102 100.607,103 27.015,104 22,105 62,106 0.247,107 0.538,108 0.663,109 0.715,110 0.731,111 0.743,112 3.764,113 0.918,114 -3.5,115 -3.48,116 -3.32,119 36.7,124 2,125 10,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 7,175 3,178 3,179 1,180 5,183 8,186 2,187 6,190 1,192 6,195 4,198 3,199 13,204 8,211 5,212 11,217 4,224 10,227 3,228 1,229 2,232 4,236 4,237 4,245 8,249 3,250 4,253 7,254 1,258 8,263 4,266 1,271 4,275 3960,276 28.584,277 28.584,278 28.584,279 28.584,280 28.584,281 26.307,282 41.462,283 17.278,284 29.544,285 22.774,286 22.774,287 22.774,288 22.774,289 22.774,290 19.143,291 60.513,292 8.314,293 24.257,294 4.686,295 2.775,296 1.956,297 1.614,298 1.513,299 1.437,300 4.47,306 1657,307 4.301,311 800.207,318 2.991,319 42.905,322 0.5,323 0.67,324 0.5,325 0.8,326 1,327 0.67,328 1,329 0.73,330 92.5,331 764,332 4.394,333 3.568,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.861,341 4.196,342 3.55,343 6.03,344 3.833,345 2.835,346 3.774,347 1.058,348 8.666,349 2.828,350 4.065,351 3.246,352 6.024,353 3.709,354 2.748,355 3.597,356 0.86,357 8.629,358 2.616,359 3.855,360 3.013,361 6.016,362 3.591,363 2.684,364 3.164,365 0.86,366 8.596,367 2.475,368 3.795,369 2.811,370 5.557,371 3.542,372 2.577,373 3.009,374 0.8,375 7.587,376 2.432,377 3.674,378 2.584,379 5.31,380 3.315,381 2.35,382 2.972,383 0.8,384 6.87,385 2.265,386 3.36,387 2.561,388 4.732,389 3.132,390 2.215,391 2.563,392 0.8,393 5.249,394 2.03,395 3.221,396 2.449,397 4.664,398 2.936,399 1.975,400 2.232,401 0.247,402 5.177,403 1.902,404 3.086,405 2.297,406 4.61,407 2.799,408 1.849,409 2.171,411 4.895,412 1.728,413 2.846,414 2.25,415 4.283,416 2.577,417 1.697,418 1.894,420 4.065,421 1.488,422 2.838,423 1.892,424 4.198,425 2.459,426 1.492,427 1.879,428 3.817,429 1.436,430 2.73,431 1.715,432 4.153,433 2.284,434 1.363,435 1.802,436 3.645,437 1.248,438 2.5,439 1.498,440 3.508,441 2,442 1.086,443 1.5,445 2.669,446 1,447 2.5,448 1.288,449 3.472,450 2,451 1,452 1.5,454 2.509,455 1,456 2.231,457 1.274,458 3.414,459 1.965,460 1,461 1.213,463 2.275,464 0.949,465 19.433,466 0.463,467 0.903,468 0.022,469 52.75,470 1.256,471 23,472 0.548,473 29.75,474 0.708,475 38.072,476 0.906,477 47.167,478 0.597,479 46.853,480 1.116,481 10.746,482 0.256,483 9.695,484 0.231,485 0.086,487 0.293,493 0.867,494 1.723,495 0.801,496 1.321,497 0.612,498 1.08,499 1.076,500 0.909,501 0.955,502 0.863,503 0.624,504 0.881,505 1.077,506 1.215,507 1.038,508 1.069,509 0.936,510 1.05,511 0.926,512 1.1,513 0.911,514 0.965,515 1.066,516 0.924,517 1.139,518 0.961,519 0.95,520 0.774,521 1.431,522 0.803,523 1.016,524 1.104,525 1.034,526 1.044,527 1.038,528 1.028,529 0.982,530 1.061,531 1.178,532 1.138,533 1.126,534 1.181,535 0.369,536 1.065,537 0.971,538 1.368,539 0.376,540 1.309,541 8,542 0.198,543 4,544 1.938,545 1.56,546 1.806,547 0.87,548 0.403,549 0.38,550 0.406,551 34984,552 90309,553 2.102,554 46.8,556 34,559 3,564 1.807,565 2,566 4.062,567 0.796,573 127.838,574 1.618,575 3.529,576 4.348,577 4.69,578 4.791,579 4.867,580 3.529,581 4.261,582 5.359,583 4.33,584 3728.18,585 9.45,586 72492.1,591 497.999,592 1.268,593 5.338,594 0.174,595 0.005,596 0.065,597 0.031,598 0.026,599 0.029,600 0.014,601 0.007,602 0.007,603 0.01,604 0.367,605 0.33,606 0.63,607 1.093,608 246.87,609 -0.062,610 -0.409,611 0.068,612 -0.179,613 -0.033,614 -0.051,615 0.034,616 0.245,617 0.015,618 0.127,619 0.089,620 0.069,621 -0.101,622 -0.138,623 -0.076,624 -0.056,625 -0.054,626 -0.064,627 -0.049,628 -0.087,629 0.072,630 -0.009,631 -0.012,632 0.049,633 -0.055,634 0.083,635 0.054,636 0.158,637 -0.087,638 0.137,639 -0.102,640 0.044,641 -0.092,642 -0.022,643 -0.06,644 -0.046,645 -0.093,646 0.064,647 -0.247,648 -0.079,649 -0.147,650 -0.173,651 0.284,652 -0.071,653 -0.051,654 -0.262,655 0.263,656 -0.232,657 2.06,658 5.63,659 0.714,660 66.122,661 1.008,662 1.141,663 2.269,664 5.148,665 0.64,666 3.85,667 4.143,668 4.369,669 4.605,670 4.86,671 4.942,672 5.13,673 5.252,674 5.361,675 5.493,676 10.554,677 0.613,678 575.75,679 3.85,680 5.38,681 6.209,682 7.066,683 7.912,684 8.775,685 9.631,686 10.499,687 11.361,688 12.233,689 11.4,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 2,731 79,733 20,734 2,735 46,737 83,738 29,739 15,740 4,741 8,742 1,746 5,747 5,751 1,761 17,762 12,766 2,771 2,775 2,781 37,782 13,783 3,784 13,790 9,794 1,795 4,812 5,836 1,839 2,840 5,844 2,848 42,854 10,855 3,856 2,859 3,870 5.1,873 2,874 2,877 21,878 14.533,879 9.278,880 4.64,881 3.416,882 1.399,883 0.972,884 10.424,885 11.984,886 4.06,887 4.57,888 5.064,889 5.597,890 6.145,891 6.402,892 6.818,893 7.15,894 7.427,895 7.789,896 0.917,897 63,898 15.571,900 6.514,901 7.726,902 29.783,904 23.878,905 2.226,906 93.5,910 400.217,911 150.598,912 113.762,914 72.29,917 150.598,918 472.507,919 113.762,920 16.793,921 85.036,922 75.81,923 127.351,924 23.586,925 8.074,926 400.217,928 400.217,929 264.36,930 72.29,933 402.545,934 50.29,935 22,937 91.959,938 119.716,939 50.357,941 400.217,942 186.051,943 150.598,946 400.217,947 57.995,948 101.976,949 54.032,950 122.646,951 400.217,952 186.051,953 150.598,955 0.573,956 0.318,957 0.168,958 0.094,959 27,960 12,961 0.108,962 9,964 1,965 5.299,966 406.964,968 30,969 192.477,974 29.98,975 14.603,976 8.524,978 186.051,979 14.124,980 14.311,984 4.352,986 54.032,987 736.867,988 57,993 24.902,997 -0.546,999 79.596,1000 90.135,1001 0.257,1002 0.56,1003 0.69,1004 0.744,1005 0.76,1006 0.772,1007 5.296,1008 1.975,1009 6.168,1010 5.249,1011 4.828,1012 5.257,1013 2.63,1014 6.919,1015 4.714,1016 6.453,1017 1.849,1018 7.686,1019 5.177,1020 4.29,1021 4.924,1022 1.494,1023 7.678,1024 4.141,1025 7.726,1026 1.697,1027 9.301,1028 4.895,1029 6.365,1030 7.31,1031 2.849,1032 10.749,1033 6.147,1034 9.029,1035 1.492,1036 10.974,1037 4.065,1038 6.635,1039 7.781,1040 2.41,1041 12.337,1042 6.385,1043 10.364,1044 1.363,1045 12.684,1046 3.817,1047 8.158,1048 9.661,1049 3.43,1050 14.895,1051 7.845,1052 11.722,1053 1.086,1054 14.421,1055 3.645,1056 8.817,1057 10.517,1058 3.427,1059 16.835,1060 8.469,1061 13.096,1062 1,1063 16.176,1064 2.669,1065 10.094,1066 12.166,1067 4.229,1068 19.199,1069 9.688,1070 3.07,1071 1,1072 17.945,1073 2.509,1074 10.955,1075 13.233,1076 4.469,1077 21.301,1078 10.508,1079 2.835,1080 9.93,1081 19.724,1082 2.275,1083 12.117,1084 14.76,1085 5.14,1086 23.591,1087 11.617,1088 2.748,1089 8.666,1090 21.512,1091 4.05,1092 13.084,1093 15.95,1094 5.505,1095 25.771,1096 12.537,1097 2.684,1098 8.629,1099 23.305,1100 3.774,1101 14.196,1102 17.41,1103 6.102,1104 28.036,1105 13.598,1106 2.577,1107 8.596,1108 25.104,1109 3.597,1110 15.218,1111 18.674,1112 6.531,1113 30.256,1114 14.57,1115 2.35,1116 7.587,1117 26.906,1118 3.164,1119 16.311,1120 20.096,1121 7.088,1122 32.515,1123 15.61,1124 2.215,1125 6.87,1126 28.713,1127 3.009,1128 17.364,1129 21.406,1130 7.551,1131 34.758,1132 16.61,1133 33056,1134 53320,1135 31.205,1136 50.529,1137 68.26,1138 70.165,1139 68.82,1140 67.854,1141 67.864,1142 83.146,1143 14.163,1144 186.587,1145 63.969,1146 5.394,1147 5.568,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.861,1155 19.126,1156 1.484,1157 1.525,1158 1.496,1159 1.475,1160 1.475,1161 1.808,1162 0.308,1163 4.056,1164 1.391,1165 4.021,1166 4.066,1167 3.978,1168 3.904,1169 7.432,1170 3.913,1171 3.931,1172 3.965,1173 3.884,1174 3.845,1175 7.428,1176 3.848,1177 3.833,1178 3.88,1179 3.766,1180 3.638,1181 5.077,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.735,1188 3.533,1189 3.692,1190 3.776,1191 3.56,1192 3.467,1193 4.692,1194 3.477,1195 3.561,1196 3.614,1197 3.483,1198 3.322,1199 4.616,1200 3.356,1201 3.449,1202 3.506,1203 3.376,1204 3.187,1205 4.589,1206 3.228,1207 3.317,1208 3.384,1209 3.216,1210 3.04,1211 4.349,1212 3.072,1213 0.096,1214 0.078,1215 0.139,1216 0.087,1217 0.067,1218 4.394,1219 0.088,1220 3.568,1221 0.036,1222 6.383,1223 0.216,1224 3.994,1225 0.062,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.861,1231 1.934,1232 1.905,1233 2.025,1234 2.081,1235 1.208,1236 2.059,1237 1.906,1238 1.88,1239 2.004,1240 2.025,1241 1.187,1242 2.018,1243 1.757,1244 1.699,1245 1.93,1246 1.959,1247 1.139,1248 1.956,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.101,1254 1.926,1255 1.642,1256 1.559,1257 1.894,1258 1.892,1259 1.075,1260 1.899,1261 1.446,1262 1.393,1263 1.619,1264 1.713,1265 0.825,1266 1.672,1267 1.34,1268 1.278,1269 1.535,1270 1.631,1271 0.825,1272 1.618,1273 1.219,1274 1.15,1275 1.513,1276 1.516,1277 0.727,1278 1.489,1279 4.533,1281 5.832,1283 7.319,1285 8.888,1287 10.501,1289 3.9,1295 6.72,1296 8.507,1297 11.004,1300 6.226,1305 48.427,1306 127.838,1307 278.768,1308 343.469,1309 370.489,1310 378.489,1311 384.489,1312 78.649,1313 8.568,1314 137.08,1315 137.08,1316 30,1317 12.777,1318 4.392,1319 3.585,1320 69.361,1321 271,1322 298,1323 0.123,1324 296.914,1325 520.88,1326 716.229,1327 77212,1329 29.313,1330 0.698,1331 0.572,1332 29.313,1333 24.006,1334 20.441,1335 0.444,1336 0.306,1337 13.771,1338 19.323,1339 13.484,1340 11.129,1341 20.441,1342 14.074,1343 18.224,1344 0.294,1345 0.165,1346 18.224,1347 10.251,1348 14.616,1349 0.187,1350 0.088,1351 14.616,1352 6.85,1353 12.028,1354 0.121,1355 0.045,1356 12.028,1357 4.489,1358 9.848,1359 0.077,1360 0.023,1361 9.848,1362 2.987,1363 0.202,1364 130.226,1365 0.179,1366 38.366,1367 0.313,1368 216,1369 675.811,1370 244.974,1371 637.64,1372 865.01,1373 600,1374 248,1375 624.236,1376 277.036,1377 627.914,1378 918.92,1379 588,1380 9.398}
{0 CHEMBL592619,1 1.559,2 20.521,3 3.442,4 11.85,5 184.116,6 7.053,7 0.333,8 4.636,9 4.768,10 4.166,11 4.1,12 5.623,13 4.089,14 5.245,15 5.441,16 4.525,17 4.521,18 6.219,19 4.479,20 5.531,21 5.771,22 4.582,23 4.701,24 6.42,25 4.62,26 5.569,27 5.826,28 4.54,29 4.688,30 6.514,31 4.593,32 5.536,33 5.789,34 4.538,35 4.663,36 6.505,37 4.575,38 5.48,39 5.727,40 4.494,41 4.655,42 6.379,43 4.56,44 5.465,45 5.708,46 4.468,47 4.663,48 6.346,49 4.557,50 5.504,51 5.748,52 4.439,53 4.655,54 6.494,55 4.527,56 0.03,57 1.451,58 21.049,59 7.908,60 8.932,61 11.456,62 0.744,63 2.346,64 42.53,65 13.505,66 49.942,67 19.849,68 0.731,69 2.866,70 58.347,71 17.54,72 61.228,73 27.247,74 0.749,75 2.889,76 61.282,77 18.187,78 87.46,79 28.363,80 0.875,81 2.764,82 59.636,83 17.639,84 103.178,85 27.444,86 0.737,87 2.719,88 55.403,89 17.278,90 69.24,91 26.566,92 0.671,93 2.661,94 54.108,95 17.907,96 56.093,97 27.153,98 0.824,99 2.599,100 56.807,101 20.543,102 112.43,103 29.617,104 5,105 74,106 0.23,107 0.497,108 0.648,109 0.73,110 0.742,111 0.752,112 3.894,113 0.962,114 -4.62,115 -4.54,116 -4.27,119 37.6,121 5,125 12,127 1,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 10,174 8,175 10,178 2,179 1,180 4,183 10,186 2,187 9,192 4,195 4,198 4,199 17,204 6,207 6,211 4,212 10,217 4,220 6,223 1,224 11,227 4,229 2,232 8,236 4,237 5,245 8,249 4,250 8,253 7,255 2,258 10,263 5,271 9,275 5702,276 33.308,277 33.308,278 33.308,279 33.308,280 33.308,281 31.055,282 50.447,283 19.979,284 34.311,285 26.729,286 26.729,287 26.729,288 26.729,289 26.729,290 23.126,291 77.073,292 9.583,293 28.314,294 4.981,295 3.168,296 2.142,297 1.591,298 1.505,299 1.441,300 4.617,306 2208,307 3.742,311 1325.83,318 3.352,319 46.157,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 104.5,331 985,332 4.394,333 3.694,334 6.398,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.936,341 4.268,342 3.562,343 6.383,344 3.978,345 3.002,346 3.802,347 1.2,348 9.698,349 2.86,350 4.068,351 3.246,352 6.13,353 3.768,354 2.815,355 3.597,356 0.86,357 9.004,358 2.677,359 3.915,360 3.096,361 6.024,362 3.712,363 2.754,364 3.221,365 0.86,366 8.666,367 2.617,368 3.827,369 3.013,370 6.016,371 3.591,372 2.684,373 3.035,374 0.8,375 8.629,376 2.495,377 3.795,378 2.811,379 5.575,380 3.57,381 2.611,382 2.972,383 0.8,384 7.643,385 2.432,386 3.7,387 2.587,388 5.366,389 3.36,390 2.4,391 2.846,392 0.8,393 6.993,394 2.3,395 3.41,396 2.455,397 5.163,398 3.098,399 2.133,400 2.604,401 0.293,402 6.212,403 2.05,404 3.189,405 2.353,406 4.724,407 2.909,408 1.955,409 2.305,410 0.247,411 5.205,412 1.879,413 3.08,414 2.296,415 4.6,416 2.806,417 1.848,418 2.164,420 4.859,421 1.741,422 2.847,423 2.25,424 4.467,425 2.708,426 1.729,427 1.879,428 4.506,429 1.682,430 2.838,431 1.893,432 4.283,433 2.577,434 1.697,435 1.857,436 4.065,437 1.488,438 2.732,439 1.808,440 4.185,441 2.288,442 1.368,443 1.806,445 3.669,446 1.252,447 2.5,448 1.715,449 3.709,450 2.186,451 1.204,452 1.5,454 2.794,455 1.177,456 2.5,457 1.288,458 3.508,459 2,460 1.086,461 1.5,463 2.669,464 1,465 22.433,466 0.467,467 0.93,468 0.019,469 57,470 1.188,471 23,472 0.479,473 34,474 0.708,475 50.433,476 1.051,477 53.767,478 0.578,479 49.537,480 1.032,481 10.772,482 0.224,483 12.814,484 0.267,485 0.03,487 0.294,493 0.829,494 1.663,495 0.816,496 1.297,497 0.565,498 1.084,499 1.021,500 1.051,501 0.994,502 0.996,503 0.592,504 0.991,505 1.028,506 1.138,507 0.993,508 0.997,509 0.798,510 0.984,511 0.967,512 1.044,513 0.994,514 0.999,515 1.159,516 0.99,517 0.999,518 1.019,519 0.943,520 0.919,521 1.344,522 0.917,523 0.87,524 1.012,525 1.002,526 0.996,527 0.896,528 1.007,529 0.743,530 1.023,531 0.998,532 1.065,533 0.698,534 1.062,535 0.611,536 0.993,537 0.955,538 1.195,539 0.809,540 1.152,541 8,542 0.26,543 4.889,544 2.375,545 1.813,546 1.931,547 1.089,548 0.517,549 0.438,550 0.396,551 56208,552 124529,553 2.187,554 48.4,555 2,556 33,559 2,561 4,562 4,564 1.836,565 2.118,566 4.244,567 0.127,573 144.954,574 1.559,575 3.371,576 4.397,577 4.948,578 5.034,579 5.098,580 3.704,581 4.595,582 5.556,583 4.509,584 5086.27,585 9.827,586 111277,591 608.142,592 1.099,593 5.546,594 0.148,595 0.005,596 0.066,597 0.031,598 0.025,599 0.026,600 0.016,601 0.008,602 0.007,603 0.007,604 0.34,605 0.17,606 0.63,607 0.307,608 294.57,609 -0.027,610 -0.357,611 0.084,612 -0.143,613 0.012,614 -0.032,615 0.063,616 0.119,617 -0.018,618 0.021,619 0.095,620 -0.015,621 -0.078,622 -0.085,623 -0.014,624 -0.002,625 0.012,626 0.002,627 -0.056,628 -0.016,629 -0.011,630 -0.028,631 -0.012,632 -0.011,633 -0.01,634 -0.01,635 0.048,636 0.059,637 -0.041,638 0.063,639 -0.018,640 0.044,641 -0.034,643 -0.026,644 -0.015,645 0.034,646 0.028,647 -0.045,648 -0.039,649 -0.001,650 -0.047,651 0.235,652 -0.014,653 0.002,654 -0.141,655 0.213,656 -0.116,657 2.036,658 6.171,659 0.875,660 80.524,661 1.001,662 1.138,663 3.389,664 11.489,665 0.641,666 4.007,667 4.317,668 4.595,669 4.844,670 5.106,671 5.17,672 5.38,673 5.501,674 5.609,675 5.733,676 11.946,677 0.608,678 655.89,679 4.007,680 5.549,681 6.399,682 7.265,683 8.126,684 8.997,685 9.864,686 10.737,687 11.607,688 12.483,689 9.7,692 1,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,719 1,726 2,731 93,733 20,734 2,735 54,737 99,738 35,739 15,740 4,741 8,742 1,746 7,747 7,751 1,755 6,758 6,761 17,762 18,766 2,771 2,775 2,781 45,782 13,783 2,784 13,790 9,794 1,795 4,812 7,836 1,839 2,840 7,848 48,854 17,855 2,856 2,858 1,859 4,870 4.3,873 2,874 2,877 22.667,878 16.317,879 10.5,880 6.053,881 3.506,882 1.372,883 0.991,884 10.879,885 12.942,886 4.19,887 4.687,888 5.189,889 5.699,890 6.229,891 6.476,892 6.898,893 7.229,894 7.507,895 7.86,896 1,897 77,898 17.906,900 7.697,901 7.601,902 35.025,904 29.511,905 2.101,906 100.833,910 506.157,911 150.689,912 98.875,914 72.29,917 150.689,918 578.447,919 98.875,921 87.034,922 75.81,923 127.351,924 23.586,925 8.074,926 506.157,928 506.157,929 249.564,930 72.29,933 414.316,934 144.459,935 22,937 93.956,938 102.924,939 50.357,941 506.157,942 171.165,943 150.689,946 506.157,947 74.879,948 88.307,949 36.022,950 122.646,951 506.157,952 171.165,953 150.689,955 0.576,956 0.336,957 0.182,958 0.101,959 35,960 14,961 0.071,962 7,964 1,965 5.884,966 502.943,968 42,969 222.568,974 33.025,975 15.813,976 8.397,978 171.165,979 14.572,980 14.395,984 4.55,986 36.022,987 828.011,988 65,993 26.009,997 -0.318,999 93.13,1000 105.796,1001 0.238,1002 0.516,1003 0.672,1004 0.757,1005 0.77,1006 0.78,1007 5.445,1008 2.133,1009 6.358,1010 6.993,1011 5.004,1012 5.375,1013 2.675,1014 7.133,1015 4.897,1016 6.589,1017 1.955,1018 7.889,1019 6.212,1020 4.443,1021 5.007,1022 1.577,1023 7.932,1024 4.285,1025 7.861,1026 1.848,1027 9.52,1028 5.205,1029 6.564,1030 7.395,1031 2.906,1032 11.025,1033 6.352,1034 9.162,1035 1.729,1036 11.21,1037 4.859,1038 6.847,1039 7.861,1040 2.49,1041 12.655,1042 6.585,1043 10.499,1044 1.697,1045 12.938,1046 4.506,1047 8.389,1048 9.724,1049 3.489,1050 15.227,1051 8.076,1052 11.858,1053 1.368,1054 14.693,1055 4.065,1056 9.071,1057 10.583,1058 3.482,1059 17.199,1060 8.708,1061 13.234,1062 1.204,1063 16.466,1064 3.669,1065 10.357,1066 12.216,1067 4.274,1068 19.578,1069 9.947,1070 3.07,1071 1.086,1072 18.252,1073 2.794,1074 11.239,1075 13.285,1076 4.502,1077 21.702,1078 10.78,1079 3.002,1080 9.93,1081 20.047,1082 2.669,1083 12.41,1084 14.802,1085 5.169,1086 24.006,1087 11.904,1088 2.815,1089 9.698,1090 21.85,1091 4.05,1092 13.393,1093 15.994,1094 5.524,1095 26.201,1096 12.84,1097 2.754,1098 9.004,1099 23.659,1100 3.802,1101 14.513,1102 17.447,1103 6.119,1104 28.477,1105 13.914,1106 2.684,1107 8.666,1108 25.472,1109 3.597,1110 15.548,1111 18.712,1112 6.542,1113 30.707,1114 14.902,1115 2.611,1116 8.629,1117 27.289,1118 3.221,1119 16.647,1120 20.131,1121 7.097,1122 32.974,1123 15.957,1124 2.4,1125 7.643,1126 29.11,1127 3.035,1128 17.709,1129 21.441,1130 7.557,1131 35.222,1132 16.973,1133 50764,1134 76021,1135 37.561,1136 59.574,1137 80.956,1138 83.062,1139 81.289,1140 80.595,1141 80.559,1142 95.834,1143 15.032,1144 225.325,1145 76.357,1146 5.394,1147 5.694,1148 6.2,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.698,1154 4.936,1155 13.901,1156 1.499,1157 1.538,1158 1.505,1159 1.493,1160 1.492,1161 1.775,1162 0.278,1163 4.173,1164 1.414,1165 4.038,1166 4.086,1167 3.987,1168 3.916,1169 7.432,1170 3.924,1171 3.955,1172 4.003,1173 3.902,1174 3.852,1175 7.427,1176 3.857,1177 3.885,1178 3.934,1179 3.789,1180 3.752,1181 5.077,1182 3.75,1183 3.829,1184 3.876,1185 3.755,1186 3.635,1187 4.734,1188 3.663,1189 3.744,1190 3.803,1191 3.625,1192 3.561,1193 4.692,1194 3.552,1195 3.71,1196 3.776,1197 3.58,1198 3.516,1199 4.616,1200 3.533,1201 3.557,1202 3.61,1203 3.476,1204 3.321,1205 4.59,1206 3.355,1207 3.417,1208 3.459,1209 3.356,1210 3.165,1211 4.385,1212 3.209,1213 0.081,1214 0.068,1215 0.118,1216 0.074,1217 0.057,1218 4.394,1219 0.075,1220 3.694,1221 0.031,1222 6.398,1223 0.184,1224 3.994,1225 0.054,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.936,1231 1.939,1232 1.908,1233 2.096,1234 2.089,1235 1.469,1236 2.093,1237 1.921,1238 1.889,1239 2.025,1240 2.079,1241 1.321,1242 2.058,1243 1.867,1244 1.812,1245 2.007,1246 2.01,1247 1.208,1248 2.01,1249 1.757,1250 1.699,1251 1.941,1252 1.957,1253 1.187,1254 1.957,1255 1.709,1256 1.645,1257 1.929,1258 1.933,1259 1.103,1260 1.926,1261 1.679,1262 1.619,1263 1.903,1264 1.885,1265 1.085,1266 1.906,1267 1.446,1268 1.393,1269 1.536,1270 1.708,1271 0.825,1272 1.668,1273 1.285,1274 1.244,1275 1.513,1276 1.568,1277 0.825,1278 1.523,1279 4.691,1281 6.004,1283 7.516,1285 9.108,1287 10.74,1295 15.391,1296 5.756,1297 11.051,1299 0.598,1300 8.828,1305 56.534,1306 144.954,1307 313.497,1308 408.922,1309 460.142,1310 468.142,1311 474.142,1312 84.599,1313 9.436,1314 128.29,1315 128.29,1316 42,1317 13.023,1318 4.392,1319 3.585,1320 69.186,1321 353,1322 354,1323 0.092,1324 339.681,1325 599.96,1326 820.581,1327 243718,1329 32.71,1330 0.681,1331 0.573,1332 32.71,1333 27.48,1334 23.586,1335 0.437,1336 0.321,1337 17.022,1338 22.461,1339 16.798,1340 13.728,1341 23.586,1342 17.323,1343 20.854,1344 0.282,1345 0.173,1346 20.854,1347 12.812,1348 17.991,1349 0.184,1350 0.098,1351 17.991,1352 9.649,1353 15.033,1354 0.119,1355 0.055,1356 15.033,1357 6.885,1358 12.517,1359 0.076,1360 0.03,1361 12.517,1362 4.942,1363 0.154,1364 149.01,1365 0.163,1366 42.86,1367 0.232,1368 256,1369 721.124,1370 286.667,1371 680.947,1372 937.51,1373 644,1374 300,1375 689.419,1376 331.505,1377 688.994,1378 1019.17,1379 651,1380 9.222}
{0 CHEMBL592747,1 1.483,2 14.054,3 3.509,4 12.313,5 144.292,6 7.024,7 0.524,8 4.366,9 4.492,10 3.9,11 3.881,12 5.361,13 3.859,14 4.951,15 5.141,16 4.248,17 4.303,18 5.881,19 4.254,20 5.215,21 5.444,22 4.305,23 4.469,24 6.074,25 4.371,26 5.31,27 5.58,28 4.264,29 4.461,30 6.117,31 4.348,32 5.248,33 5.501,34 4.322,35 4.456,36 6.103,37 4.368,38 5.249,39 5.478,40 4.334,41 4.492,42 6.18,43 4.406,44 5.27,45 5.512,46 4.25,47 4.48,48 6.11,49 4.366,50 5.244,51 5.495,52 4.167,53 4.445,54 6.028,55 4.313,56 0.045,57 1.088,58 15.925,59 6.385,60 9.44,61 8.899,62 0.4,63 1.814,64 31.102,65 10.57,66 29.354,67 15.097,68 0.414,69 2.232,70 41.275,71 14.608,72 39.027,73 21.482,74 0.484,75 2.352,76 46.985,77 15.196,78 46.354,79 23.231,80 0.458,81 2.275,82 43.58,83 13.93,84 43.686,85 21.331,86 0.583,87 2.348,88 43.018,89 13.236,90 58.224,91 20.273,92 0.523,93 2.303,94 44.143,95 14.831,96 44.715,97 22.169,98 0.413,99 2.161,100 43.175,101 15.57,102 37.764,103 22.94,104 3,105 58,106 0.23,107 0.543,108 0.73,109 0.817,110 0.836,111 0.836,112 3.642,113 0.949,114 -5.44,115 -5.32,116 -4.97,119 40.8,121 2,122 1,125 9,142 9,143 3,146 1,147 1,149 1,160 1,161 1,172 14,174 4,175 6,180 1,183 13,186 4,187 9,192 2,195 6,198 3,199 10,204 2,207 2,211 2,212 12,217 1,220 5,223 1,224 8,227 2,232 7,236 4,237 10,245 8,250 5,253 2,258 7,262 2,263 8,266 1,271 5,275 2912,276 25.971,277 25.971,278 25.971,279 25.971,280 25.971,281 23.462,282 30.141,283 15.567,284 26.619,285 20.768,286 20.768,287 20.768,288 20.768,289 20.768,290 16.917,291 35.984,292 7.423,293 21.839,294 4.667,295 2.65,296 1.444,297 0.884,298 0.761,299 0.761,300 4.365,305 1,306 1163,307 2.915,310 85.151,311 572.633,314 154.264,318 2.11,319 26.622,322 0.75,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.82,330 79,331 520,332 4.676,333 3.353,334 6.844,335 4.197,336 3.26,337 4.628,338 0.916,339 11.409,340 3.056,341 4.189,342 3.025,343 6.138,344 3.796,345 2.819,346 3.817,347 0.86,348 9.074,349 2.757,350 3.947,351 2.93,352 6.114,353 3.707,354 2.753,355 3.457,356 0.8,357 8.912,358 2.638,359 3.916,360 2.892,361 5.618,362 3.597,363 2.661,364 3.302,365 0.765,366 7.784,367 2.512,368 3.649,369 2.581,370 5.386,371 3.415,372 2.435,373 3.03,374 0.172,375 7.038,376 2.352,377 3.58,378 2.503,379 5.281,380 3.28,381 2.309,382 2.629,384 6.701,385 2.24,386 3.24,387 2.343,388 5.086,389 3.04,390 2.094,391 2.326,393 6.023,394 1.971,395 3.058,396 2.179,397 4.909,398 2.811,399 1.884,400 2.178,402 5.47,403 1.739,404 2.971,405 1.795,406 4.392,407 2.473,408 1.52,409 2.143,411 4.187,412 1.445,413 2.824,414 1.608,415 4.319,416 2.42,417 1.452,418 1.923,420 3.801,421 1.413,422 2.707,423 1.513,424 3.761,425 2.312,426 1.394,427 1.788,428 3.036,429 1.264,430 2.62,431 1.293,432 3.591,433 2.167,434 1.219,435 1.662,436 2.922,437 1.153,438 2.5,439 1.256,440 3.487,441 2.008,442 1.076,443 1.5,445 2.556,446 1,447 2.432,448 1.156,449 3.42,450 2,451 1,452 1.416,454 2.275,455 0.995,456 2.076,457 1.077,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 17.567,466 0.475,467 0.667,468 0.018,469 46,470 1.243,471 20.5,472 0.554,473 25.5,474 0.689,475 35.985,476 0.973,477 40.033,478 0.564,479 35.622,480 0.963,481 8.852,482 0.239,483 9.411,484 0.254,485 0.019,487 0.296,493 0.924,494 1.507,495 0.828,496 1.183,497 0.872,498 1.025,499 1.275,500 1.031,501 1.023,502 0.928,503 0.944,504 0.939,505 0.812,506 1.187,507 0.985,508 1.106,509 0.581,510 1.075,511 0.831,512 1.016,513 0.913,514 0.926,515 0.838,516 0.92,517 0.888,518 1.03,519 0.887,520 0.88,521 0.826,522 0.869,523 1.106,524 1.098,525 1.165,526 1.015,527 0.979,528 1.064,529 0.886,530 1.048,531 1.114,532 1.088,533 0.802,534 1.111,535 0.737,536 1.06,537 1.007,538 1.101,539 0.682,540 1.088,541 6,542 0.184,543 3.111,544 1.694,545 1.826,546 1.219,547 0.757,548 0.607,549 0.358,550 0.222,551 22957,552 51051,553 2.214,554 47.9,556 27,558 1,559 1,561 5,564 1.783,565 2.155,566 3.721,567 -0.392,573 105.267,574 1.483,575 3.5,576 4.706,577 5.266,578 5.389,579 5.389,580 3.18,581 4.757,582 5.174,583 3.925,584 2614.1,585 9.122,586 42647.2,591 436.632,592 1.043,593 5.174,594 0.143,595 0.005,596 0.054,597 0.029,598 0.033,599 0.02,600 0.013,601 0.011,602 0.007,603 0.005,604 0.318,605 0.17,606 0.63,607 0.422,608 203.795,609 -0.016,610 -0.289,611 0.082,612 -0.093,613 -0.015,614 -0.012,615 -0.09,616 0.119,617 -0.047,618 0.064,619 -0.052,620 0.018,621 0.057,622 -0.135,623 -0.024,624 -0.104,625 0.101,626 -0.085,627 0.017,628 -0.008,629 0.073,630 0.03,631 0.008,632 0.054,633 0.003,634 0.019,635 0.095,636 0.079,637 -0.003,638 0.099,639 -0.083,640 0.026,641 -0.183,642 -0.068,643 -0.071,644 -0.122,645 0.003,646 0.01,647 -0.143,648 -0.114,649 -0.074,650 -0.138,651 0.052,652 -0.068,653 -0.046,654 -0.093,655 0.026,656 -0.082,657 1.507,658 3.653,659 0.892,660 47.809,661 0.995,662 1.13,663 4.209,664 17.714,665 0.656,666 3.761,667 4.078,668 4.382,669 4.682,670 4.97,671 5.081,672 5.323,673 5.525,674 5.673,675 5.823,676 8.135,677 0.619,678 498.69,679 3.761,680 5.303,681 6.163,682 7.043,683 7.922,684 8.812,685 9.701,686 10.597,687 11.494,688 12.395,689 8.5,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 71,733 22,734 2,735 42,737 76,738 29,739 17,740 3,741 9,746 6,747 7,752 1,755 2,756 1,758 2,761 17,762 12,763 1,781 34,782 7,783 1,784 8,787 1,790 6,794 0.833,795 2,796 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,848 37,853 1,854 11,856 1,858 1,859 2,870 2.8,871 1,874 1,877 17.167,878 12.483,879 8.139,880 4.454,881 3.756,882 1.428,883 0.995,884 7.359,885 12.534,886 3.989,887 4.567,888 5.173,889 5.787,890 6.355,891 6.708,892 7.219,893 7.679,894 8.021,895 8.396,896 1,897 59,898 13.734,900 5.874,901 7.5,902 27.137,904 23.049,905 2,906 74,910 388.446,911 138.865,912 58.504,914 53.683,917 138.865,918 442.13,919 58.504,921 26.888,922 127.97,923 83.461,924 22.177,925 2.328,926 376.675,928 388.446,929 197.369,930 53.683,933 331.919,934 58.856,935 53.683,937 44.39,938 100.295,939 50.357,941 388.446,942 112.188,943 138.865,946 388.446,947 44.96,948 102.053,950 104.04,951 388.446,952 112.188,953 138.865,955 0.573,956 0.337,957 0.189,958 0.108,959 29,960 11,961 0.092,962 7,963 1,964 1.061,965 4.832,966 373.259,967 0.061,968 33,969 178.75,974 24.355,975 11.179,976 5.495,977 1.734,978 110.288,979 20.512,980 14.791,984 4.68,985 2.22,986 42.683,987 639.499,988 53,999 70.636,1000 80.221,1001 0.241,1002 0.569,1003 0.765,1004 0.856,1005 0.876,1006 0.876,1007 5.228,1008 1.884,1009 6.125,1010 6.023,1011 4.762,1012 5.255,1013 1.81,1014 6.925,1015 4.665,1016 6.401,1017 1.52,1018 7.665,1019 5.47,1020 4.205,1021 4.945,1022 0.57,1023 7.774,1024 4.062,1025 7.69,1026 1.452,1027 9.306,1028 4.187,1029 6.337,1030 7.429,1031 1.434,1032 10.905,1033 6.147,1034 9.017,1035 1.394,1036 11.009,1037 3.801,1038 6.648,1039 8.041,1040 0.581,1041 12.633,1042 6.401,1043 10.382,1044 1.219,1045 12.754,1046 3.036,1047 8.193,1048 9.959,1049 1.158,1050 15.269,1051 7.903,1052 11.774,1053 1.076,1054 14.528,1055 2.922,1056 8.921,1057 11.027,1058 0.515,1059 17.377,1060 8.567,1061 13.189,1062 1,1063 16.325,1064 2.556,1065 10.22,1066 12.708,1067 0.936,1068 19.855,1069 9.82,1070 3.26,1071 1,1072 18.139,1073 2.275,1074 11.16,1075 14.008,1076 0.441,1077 22.135,1078 10.69,1079 2.819,1080 11.409,1081 19.968,1082 2.136,1083 12.357,1084 15.589,1085 0.756,1086 24.565,1087 11.835,1088 2.753,1089 9.074,1090 21.808,1091 4.628,1092 13.404,1093 17.005,1094 0.373,1095 26.924,1096 12.81,1097 2.661,1098 8.912,1099 23.658,1100 3.817,1101 14.565,1102 18.547,1103 0.609,1104 29.344,1105 13.913,1106 2.435,1107 7.784,1108 25.517,1109 3.457,1110 15.668,1111 20.02,1112 0.314,1113 31.739,1114 14.943,1115 2.309,1116 7.038,1117 27.383,1118 3.302,1119 16.82,1120 21.549,1121 0.49,1122 34.161,1123 16.032,1124 2.094,1125 6.701,1126 29.256,1127 3.03,1128 17.952,1129 23.05,1130 0.264,1131 36.574,1132 17.092,1133 20971,1134 31456,1135 29.413,1136 46.603,1137 62.761,1138 63.287,1139 63.157,1140 62.646,1141 62.653,1142 79.076,1143 7.027,1144 177.447,1145 59.561,1146 5.676,1147 5.353,1148 6.646,1149 5.3,1150 5.26,1151 7.628,1152 1.776,1153 18.834,1154 5.056,1155 8.641,1156 1.494,1157 1.507,1158 1.504,1159 1.492,1160 1.492,1161 1.883,1162 0.167,1163 4.225,1164 1.418,1165 4.135,1166 4.187,1167 4.11,1168 3.978,1169 6.457,1170 4.002,1171 3.94,1172 3.985,1173 3.859,1174 3.86,1175 5.14,1176 3.854,1177 3.895,1178 3.926,1179 3.834,1180 3.808,1181 4.756,1182 3.814,1183 3.801,1184 3.852,1185 3.69,1186 3.672,1187 4.713,1188 3.67,1189 3.722,1190 3.781,1191 3.607,1192 3.499,1193 4.618,1194 3.517,1195 3.379,1196 3.446,1197 3.294,1198 3.179,1199 4.428,1200 3.195,1201 3.255,1202 3.314,1203 3.123,1204 3.076,1205 4.296,1206 3.079,1207 3.153,1208 3.217,1209 3.021,1210 2.953,1211 4.035,1212 2.959,1213 0.111,1214 0.08,1215 0.163,1216 0.1,1217 0.078,1218 4.676,1219 0.11,1220 3.353,1221 0.022,1222 6.844,1223 0.272,1224 4.197,1225 0.073,1226 3.26,1227 4.628,1228 0.916,1229 11.409,1230 3.056,1231 1.96,1232 1.93,1233 2.096,1234 2.101,1235 1.468,1236 2.095,1237 1.931,1238 1.895,1239 2.042,1240 2.055,1241 1.217,1242 2.055,1243 1.843,1244 1.796,1245 2.007,1246 1.961,1247 1.157,1248 1.977,1249 1.773,1250 1.726,1251 1.932,1252 1.955,1253 1.15,1254 1.956,1255 1.593,1256 1.539,1257 1.733,1258 1.815,1259 0.942,1260 1.799,1261 1.426,1262 1.354,1263 1.599,1264 1.676,1265 0.825,1266 1.656,1267 1.202,1268 1.149,1269 1.513,1270 1.453,1271 0.825,1272 1.451,1273 1.184,1274 1.118,1275 1.513,1276 1.411,1277 0.76,1278 1.429,1279 4.443,1281 5.759,1282 2.398,1283 7.277,1284 4.727,1285 8.884,1286 6.843,1287 10.538,1294 9.653,1295 9.417,1297 5.588,1299 0.59,1300 4.815,1305 43.933,1306 105.267,1307 248.477,1308 334.129,1309 373.877,1310 382.632,1311 382.632,1312 52.646,1313 8.778,1314 79.54,1315 79.54,1316 35,1317 12.918,1318 4.524,1319 3.585,1320 50.966,1321 174,1322 216,1323 0.137,1324 264.072,1325 449.68,1326 636.096,1327 89903,1329 25.029,1330 0.676,1331 0.572,1332 25.029,1333 21.168,1334 18.263,1335 0.435,1336 0.316,1337 13.093,1338 17.565,1339 12.854,1340 10.552,1341 18.263,1342 13.286,1343 16.022,1344 0.276,1345 0.174,1346 16.022,1347 10.103,1348 14.043,1349 0.178,1350 0.095,1351 14.043,1352 7.535,1353 11.992,1354 0.112,1355 0.051,1356 11.992,1357 5.443,1358 10.306,1359 0.072,1360 0.028,1361 10.306,1362 4.03,1363 0.216,1364 114.321,1365 0.184,1366 33.809,1367 0.371,1368 200,1369 507.756,1370 217.279,1371 490.267,1372 686.23,1373 466,1374 237,1375 509.349,1376 257.195,1377 518.025,1378 767.31,1379 488,1380 6.606}
{0 CHEMBL592917,1 1.679,2 13.455,3 3.411,4 11.637,5 124.904,6 8.338,7 0.579,8 4.147,9 4.256,10 3.858,11 3.735,12 5.238,13 3.715,14 4.695,15 4.842,16 4.249,17 4.148,18 5.789,19 4.107,20 4.956,21 5.158,22 4.24,23 4.221,24 5.948,25 4.155,26 4.907,27 5.142,28 4.151,29 4.162,30 5.911,31 4.076,32 4.829,33 5.032,34 4.174,35 4.158,36 5.916,37 4.083,38 4.791,39 4.958,40 4.215,41 4.218,42 5.876,43 4.125,44 4.816,45 5.01,46 4.049,47 4.2,48 5.763,49 4.074,50 4.784,51 5.015,52 3.794,53 4.027,54 5.758,55 3.88,56 0.054,57 0.879,58 9.848,59 4.809,60 8.003,61 5.649,62 0.338,63 1.468,64 20.608,65 8.558,66 28.561,67 10.083,68 0.53,69 1.791,70 32.08,71 10.707,72 43.028,73 13.328,74 0.383,75 1.716,76 30.107,77 10.693,78 41.281,79 14.004,80 0.432,81 1.584,82 31.099,83 10.619,84 48.039,85 12.438,86 0.429,87 1.567,88 26.552,89 10.372,90 44.011,91 11.79,92 0.255,93 1.554,94 30.464,95 11.996,96 25.927,97 14.506,98 0.385,99 1.425,100 27.694,101 11.034,102 46.072,103 14.468,104 2,105 54,106 0.272,107 0.628,108 0.761,109 0.807,110 0.813,111 0.819,112 3.532,113 0.934,114 -4.08,115 -4.03,116 -3.82,119 43.6,121 2,125 2,127 2,142 7,143 1,144 2,145 2,146 1,147 1,149 1,151 1,152 1,159 1,172 5,174 2,175 7,178 2,179 1,180 4,183 6,186 1,187 9,192 2,195 2,198 1,199 11,202 1,204 5,207 1,211 1,212 6,217 2,220 3,223 1,224 4,227 3,229 1,232 10,236 1,237 4,245 10,249 2,250 4,253 3,255 1,258 6,263 4,268 1,271 4,275 1980,276 22.927,277 22.927,278 22.927,279 22.927,280 22.927,281 20.256,282 24.334,283 13.56,284 23.608,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 14.837,291 37.439,292 6.567,293 20.005,294 4.103,295 1.906,296 1.085,297 0.8,298 0.764,299 0.727,300 4.255,304 1,305 1,306 1018,307 3.162,310 155.836,311 396.329,312 100.955,314 140.941,318 2.171,319 27.141,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 71,331 444,332 4.605,333 3.562,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.156,342 3.377,343 6.115,344 3.81,345 2.862,346 3.774,347 0.86,348 8.994,349 2.726,350 3.972,351 3.09,352 5.907,353 3.703,354 2.75,355 3.478,356 0.8,357 8.458,358 2.596,359 3.906,360 2.779,361 5.567,362 3.594,363 2.631,364 3.184,365 0.247,366 7.633,367 2.524,368 3.759,369 2.551,370 5.497,371 3.356,372 2.392,373 3.088,375 7.161,376 2.301,377 3.525,378 2.516,379 5.323,380 3.215,381 2.29,382 2.698,384 6.922,385 2.115,386 3.402,387 2.382,388 4.879,389 2.94,390 1.952,391 2.65,393 5.638,394 1.915,395 2.966,396 2.093,397 4.68,398 2.839,399 1.879,400 2.174,402 5.114,403 1.794,404 2.879,405 1.582,406 4.573,407 2.419,408 1.5,409 1.974,411 4.418,412 1.377,413 2.843,414 1.535,415 4.386,416 2.367,417 1.443,418 1.879,420 4.173,421 1.32,422 2.696,423 1.519,424 3.586,425 2.309,426 1.371,427 1.731,428 2.989,429 1.277,430 2.54,431 1.063,432 3.554,433 2,434 1.049,435 1.558,436 2.413,437 1,438 2.5,439 1,440 3.414,441 1.984,442 1,443 1.5,445 2.275,446 0.983,447 2.5,448 1,449 3.413,450 1.932,451 1,452 1.5,454 2.136,455 0.904,456 1.994,457 0.964,458 3.267,459 1.651,460 0.72,461 0.824,463 1.777,464 0.662,465 15.9,466 0.482,467 0.721,468 0.022,469 46,470 1.394,471 23,472 0.697,473 23,474 0.697,475 27.07,476 0.82,477 33.9,478 0.616,479 33.133,480 1.004,481 8.617,482 0.261,483 7.591,484 0.23,485 0.021,487 0.34,493 0.838,494 1.279,495 0.693,496 0.936,497 0.613,498 0.851,499 0.925,500 1.083,501 0.899,502 0.982,503 0.593,504 0.951,505 1.312,506 1.159,507 0.982,508 0.972,509 1.004,510 0.989,511 0.875,512 0.97,513 0.805,514 0.837,515 0.778,516 0.894,517 1.213,518 0.932,519 1.14,520 0.949,521 1.484,522 0.848,523 1.051,524 0.883,525 1.219,526 1.095,527 1.311,528 1.089,529 0.651,530 1.115,531 1.319,532 1.356,533 0.509,534 1.22,535 0.559,536 0.974,537 1.019,538 1.159,539 0.538,540 1.236,541 6.5,542 0.166,543 2.667,544 1.722,545 1.394,546 1.066,547 0.573,548 0.301,549 0.268,550 0.195,551 18268,552 48035,553 2.242,554 40,556 13,557 1,558 2,559 2,561 4,564 1.749,565 2.176,566 3.665,567 0.222,569 1,573 92.318,574 1.679,575 3.875,576 4.697,577 4.981,578 5.018,579 5.054,580 3.097,581 4.453,582 5.013,583 3.888,584 2052.65,585 8.764,586 31236.5,591 317.975,592 1.096,593 5.007,594 0.171,595 0.007,596 0.049,597 0.034,598 0.03,599 0.022,600 0.012,601 0.007,602 0.008,603 0.007,604 0.347,605 0.33,606 0.88,607 0.306,608 176.675,609 -0.066,610 -0.17,611 0.069,612 -0.011,613 -0.032,614 0.021,615 0.084,616 -0.002,617 -0.02,618 -0.036,619 0.111,620 -0.06,621 -0.157,622 -0.16,623 -0.048,624 -0.042,625 -0.09,626 -0.05,627 -0.02,628 0.028,629 0.107,630 0.074,631 0.096,632 0.081,633 -0.134,634 0.095,635 -0.031,636 0.103,637 -0.07,638 0.124,639 -0.071,640 0.172,641 -0.169,642 -0.036,643 -0.148,644 -0.142,645 0.019,646 -0.133,647 -0.212,648 -0.231,649 -0.004,650 -0.185,651 0.189,652 -0.067,653 -0.094,654 -0.181,655 0.135,656 -0.196,657 1.978,658 5.25,659 0.879,660 38.303,661 1.007,662 1.121,663 2.853,664 8.142,665 0.703,666 3.664,667 4.007,668 4.304,669 4.625,670 4.86,671 5.004,672 5.198,673 5.357,674 5.493,675 5.652,676 7.923,677 0.672,678 458.59,679 3.664,680 5.22,681 6.084,682 6.974,683 7.853,684 8.748,685 9.635,686 10.534,687 11.426,688 12.329,689 10.9,695 1,696 2,699 3,703 2,704 10,705 3,708 1,709 5,711 22,726 1,731 55,733 23,734 1,735 38,737 60,738 24,739 17,740 2,741 4,746 6,747 8,751 1,755 4,758 4,761 18,762 6,766 1,771 1,775 1,778 1,781 22,782 8,783 2,784 9,785 1,790 6,794 0.667,795 2,801 1,805 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,842 1,848 33,854 4,855 2,856 1,858 2,859 1,865 1,870 3.6,873 1,874 1,877 15.167,878 9.8,879 7.028,880 3.326,881 4.024,882 1.468,883 1.048,884 5.503,885 12.627,886 3.932,887 4.535,888 5.122,889 5.742,890 6.274,891 6.62,892 7.112,893 7.567,894 7.878,895 8.309,896 0.889,897 51,898 12.209,900 5.351,901 7.631,902 23.621,904 20.209,905 2.131,906 70.333,909 1,910 235.422,911 153.156,912 89.502,914 36.145,916 31.278,917 121.879,918 271.567,919 89.502,921 45.302,922 73.983,923 110.044,924 34.39,925 19.121,926 231.386,928 235.422,929 211.381,930 36.145,931 31.278,933 190.666,934 72.229,935 11,937 65.541,938 93.156,939 50.357,940 31.278,941 235.422,942 125.647,943 153.156,946 235.422,947 61.079,948 95.202,949 36.022,950 86.501,951 235.422,952 125.647,953 153.156,955 0.584,956 0.337,957 0.191,958 0.102,959 29,960 11,961 0.067,962 4,963 3,964 1.172,965 4.597,966 319.197,967 0.207,968 28,969 152.465,970 1,974 20.668,975 8.787,976 4.341,977 2.073,978 125.647,979 18.421,980 13.716,983 1.678,984 3.944,986 36.022,987 514.226,988 50,993 12.25,997 -0.311,999 55.411,1000 61.65,1001 0.29,1002 0.67,1003 0.812,1004 0.862,1005 0.868,1006 0.874,1007 5.179,1008 1.879,1009 6.061,1010 5.638,1011 4.691,1012 5.223,1013 2.109,1014 6.868,1015 4.577,1016 6.37,1017 1.5,1018 7.606,1019 5.114,1020 4.205,1021 4.934,1022 1.305,1023 7.695,1024 4.042,1025 7.667,1026 1.443,1027 9.246,1028 4.418,1029 6.279,1030 7.397,1031 2.545,1032 10.817,1033 6.052,1034 8.996,1035 1.371,1036 10.943,1037 4.173,1038 6.621,1039 7.977,1040 2.354,1041 12.494,1042 6.327,1043 10.357,1044 1.049,1045 12.678,1046 2.989,1047 8.132,1048 9.891,1049 3.285,1050 15.117,1051 7.785,1052 11.742,1053 1,1054 14.44,1055 2.413,1056 8.872,1057 10.911,1058 3.414,1059 17.174,1060 8.445,1061 13.146,1062 1,1063 16.223,1064 2.275,1065 10.149,1066 12.588,1067 4.168,1068 19.63,1069 9.668,1070 3.209,1071 0.72,1072 18.022,1073 2.136,1074 11.086,1075 13.842,1076 4.466,1077 21.866,1078 10.522,1079 2.862,1080 11.052,1081 19.834,1082 1.777,1083 12.266,1084 15.414,1085 5.115,1086 24.268,1087 11.643,1088 2.75,1089 8.994,1090 21.658,1091 4.53,1092 13.303,1093 16.791,1094 5.504,1095 26.587,1096 12.597,1097 2.631,1098 8.458,1099 23.492,1100 3.774,1101 14.448,1102 18.318,1103 6.092,1104 28.977,1105 13.676,1106 2.392,1107 7.633,1108 25.334,1109 3.478,1110 15.535,1111 19.758,1112 6.531,1113 31.336,1114 14.681,1115 2.29,1116 7.161,1117 27.183,1118 3.184,1119 16.671,1120 21.269,1121 7.084,1122 33.725,1123 15.746,1124 1.952,1125 6.922,1126 29.039,1127 3.088,1128 17.785,1129 22.742,1130 7.551,1131 36.104,1132 16.779,1133 16374,1134 26715,1135 26.641,1136 38.682,1137 57.787,1138 58.524,1139 57.469,1140 57.246,1141 57.319,1142 74.564,1143 7.126,1144 165.647,1145 54.015,1146 5.605,1147 5.562,1148 6.542,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 7.669,1156 1.521,1157 1.54,1158 1.512,1159 1.506,1160 1.508,1161 1.962,1162 0.188,1163 4.359,1164 1.421,1165 4.097,1166 4.125,1167 4.319,1168 4.053,1169 7.431,1170 4.018,1171 3.909,1172 3.948,1173 3.891,1174 3.831,1175 5.056,1176 3.817,1177 3.883,1178 3.922,1179 3.805,1180 3.747,1181 4.908,1182 3.754,1183 3.831,1184 3.861,1185 3.797,1186 3.728,1187 4.703,1188 3.728,1189 3.425,1190 3.469,1191 3.443,1192 3.205,1193 4.661,1194 3.227,1195 3.293,1196 3.362,1197 3.281,1198 3.071,1199 4.303,1200 3.101,1201 3.118,1202 3.182,1203 3.07,1204 2.951,1205 4.076,1206 2.934,1207 3.093,1208 3.176,1209 2.89,1210 2.919,1211 3.973,1212 2.926,1213 0.121,1214 0.094,1215 0.177,1216 0.109,1217 0.084,1218 4.605,1219 0.119,1220 3.562,1221 0.044,1222 6.74,1223 0.291,1224 4.138,1225 0.078,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.946,1232 1.919,1233 2.024,1234 2.065,1235 1.255,1236 2.052,1237 1.824,1238 1.783,1239 1.933,1240 1.983,1241 1.219,1242 1.969,1243 1.771,1244 1.739,1245 1.886,1246 1.924,1247 1.106,1248 1.921,1249 1.604,1250 1.543,1251 1.86,1252 1.766,1253 0.948,1254 1.798,1255 1.58,1256 1.537,1257 1.709,1258 1.76,1259 0.863,1260 1.751,1261 1.378,1262 1.372,1263 1.407,1264 1.552,1265 0.621,1266 1.511,1267 1.242,1268 1.2,1269 1.335,1270 1.424,1271 0.496,1272 1.476,1273 0.908,1274 0.874,1275 1.215,1276 1.099,1277 0.333,1278 1.114,1279 4.344,1281 5.68,1282 3.045,1283 7.203,1284 5.352,1285 8.811,1286 7.391,1287 10.468,1295 3.983,1296 5.623,1297 6.015,1299 0.585,1300 2.356,1305 36.959,1306 92.318,1307 213.13,1308 258.323,1309 273.975,1310 275.975,1311 277.975,1312 44.188,1313 8.603,1314 92.27,1315 120.51,1316 34,1317 12.851,1318 4.585,1319 3.7,1320 43.447,1321 156,1322 171,1323 0.133,1324 224.314,1325 379.05,1326 539.086,1327 76839,1329 22.2,1330 0.673,1331 0.563,1332 22.554,1333 18.587,1334 16.209,1335 0.427,1336 0.311,1337 10.874,1338 15.13,1339 10.635,1340 8.706,1341 16.663,1342 11.832,1343 14.888,1344 0.276,1345 0.17,1346 15.445,1347 9.177,1348 12.73,1349 0.174,1350 0.094,1351 13.419,1352 6.868,1353 11.319,1354 0.112,1355 0.052,1356 12.104,1357 5.258,1358 9.053,1359 0.071,1360 0.027,1361 9.637,1362 3.492,1363 0.213,1364 105.895,1365 0.194,1366 31.034,1367 0.352,1368 184,1369 517.578,1370 224.999,1371 521.079,1372 726.55,1373 492,1374 219,1375 533.561,1376 258.792,1377 550.797,1378 813.05,1379 521,1380 7.097}
{0 CHEMBL593063,1 1.551,2 12.714,3 2.117,4 4.483,5 132.196,6 7.369,7 0.55,8 4.281,9 4.405,10 3.856,11 3.78,12 5.323,13 3.775,14 4.856,15 5.043,16 4.218,17 4.196,18 5.837,19 4.17,20 5.118,21 5.341,22 4.269,23 4.358,24 6.03,25 4.285,26 5.191,27 5.45,28 4.24,29 4.368,30 6.046,31 4.276,32 5.153,33 5.396,34 4.283,35 4.369,36 6.084,37 4.294,38 5.146,39 5.377,40 4.278,41 4.377,42 6.069,43 4.31,44 5.134,45 5.353,46 4.225,47 4.383,48 6.039,49 4.291,50 5.19,51 5.434,52 4.139,53 4.387,54 6.05,55 4.266,56 0.027,57 1.022,58 13.561,59 5.433,60 10.377,61 7.445,62 0.361,63 1.682,64 27.011,65 8.851,66 27.921,67 12.541,68 0.462,69 2.04,70 36.813,71 12.202,72 42.601,73 17.82,74 0.499,75 2.136,76 41.041,77 13.063,78 43.244,79 19.793,80 0.501,81 2.099,82 38.788,83 12.11,84 55.847,85 18.523,86 0.532,87 2.137,88 37.888,89 11.135,90 44.166,91 16.904,92 0.501,93 2.05,94 36.909,95 12.518,96 41.546,97 18.384,98 0.46,99 2.036,100 40.475,101 14.524,102 47.973,103 20.873,104 2,105 56,106 0.245,107 0.586,108 0.782,109 0.845,110 0.845,111 0.845,112 3.589,113 0.917,114 -4.37,115 -4.31,116 -4.06,119 40.6,121 2,125 7,127 1,142 6,143 2,144 1,145 2,146 1,147 1,149 1,160 1,161 1,172 6,174 4,175 9,180 2,183 6,186 4,187 6,192 2,195 2,198 5,199 9,204 1,207 2,211 1,212 7,215 2,220 2,223 3,224 11,232 4,236 2,237 5,240 2,245 4,249 3,250 7,253 1,258 2,263 7,268 2,271 2,275 2432,276 24.447,277 24.447,278 24.447,279 24.447,280 24.447,281 21.909,282 29.163,283 14.625,284 25.182,285 19.834,286 19.834,287 19.834,288 19.834,289 19.834,290 16.006,291 39.253,292 7.038,293 21.045,294 4.449,295 2.293,296 1.055,297 0.656,298 0.656,299 0.656,300 4.312,305 1,306 1001,307 2.55,310 77.411,311 523.009,314 140.906,318 2.041,319 28.203,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 75.5,331 445,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.079,341 4.19,342 3.077,343 6.33,344 3.821,345 2.87,346 3.81,347 0.86,348 9.599,349 2.748,350 3.994,351 2.948,352 6.124,353 3.724,354 2.768,355 3.457,356 0.8,357 9.006,358 2.635,359 3.928,360 2.872,361 5.637,362 3.599,363 2.649,364 3.353,365 0.172,366 7.742,367 2.524,368 3.603,369 2.553,370 5.516,371 3.319,372 2.365,373 2.996,375 7.121,376 2.24,377 3.519,378 2.416,379 5.05,380 3.167,381 2.223,382 2.605,384 6.096,385 2.092,386 3.255,387 2.336,388 5.044,389 3.022,390 2.088,391 2.345,393 6.032,394 1.943,395 2.953,396 2.119,397 4.744,398 2.649,399 1.734,400 2.139,402 4.819,403 1.583,404 2.924,405 1.579,406 4.326,407 2.416,408 1.471,409 2.042,411 4.039,412 1.386,413 2.817,414 1.532,415 4.082,416 2.382,417 1.427,418 1.91,420 3.225,421 1.361,422 2.651,423 1.487,424 3.751,425 2.161,426 1.257,427 1.716,428 2.992,429 1.144,430 2.5,431 1.256,432 3.587,433 2.125,434 1.175,435 1.5,436 2.887,437 1.097,438 2.489,439 1.194,440 3.476,441 1.984,442 1.038,443 1.484,445 2.527,446 0.983,447 2.381,448 1.077,449 3.414,450 1.979,451 1,452 1.369,454 2.275,455 0.972,456 2.003,457 1.06,458 3.414,459 1.956,460 1,461 1,463 2.136,464 0.953,465 16.467,466 0.47,467 0.688,468 0.02,469 46,470 1.314,471 21,472 0.6,473 25,474 0.714,475 31.685,476 0.905,477 37.533,478 0.586,479 35.207,480 1.006,481 8.861,482 0.253,483 8.381,484 0.239,485 0.02,487 0.316,493 0.929,494 1.57,495 0.777,496 1.195,497 0.842,498 1.001,499 1.201,500 1.078,501 0.969,502 0.929,503 0.746,504 0.91,505 0.99,506 1.143,507 1.001,508 1.042,509 0.824,510 1.027,511 0.765,512 0.965,513 0.906,514 0.922,515 0.758,516 0.922,517 0.815,518 1.1,519 0.918,520 0.942,521 0.808,522 0.932,523 1.118,524 1.013,525 1.138,526 0.954,527 0.929,528 1.008,529 0.848,530 1.117,531 1.131,532 1.159,533 0.823,534 1.172,535 0.81,536 0.928,537 1.063,538 1.12,539 0.832,540 1.126,541 5.5,542 0.155,543 3.333,544 1.722,545 1.676,546 1.219,547 0.893,548 0.52,549 0.32,550 0.246,551 19267,552 46481,553 2.227,554 45.3,556 21,558 3,559 1,562 4,564 1.771,565 2.165,566 3.583,567 -0.345,573 99.256,574 1.551,575 3.707,576 4.945,577 5.344,578 5.344,579 5.344,580 3.057,581 4.786,582 5.094,583 3.798,584 2259.85,585 8.968,586 34759.8,591 384,592 1.069,593 5.093,594 0.138,595 0.005,596 0.06,597 0.03,598 0.03,599 0.021,600 0.016,601 0.01,602 0.007,603 0.006,604 0.322,605 0.17,606 0.75,607 0.293,608 188.159,609 -0.042,610 -0.355,611 0.082,612 -0.126,613 -0.006,614 -0.026,615 -0.094,616 0.072,617 -0.027,618 0.045,619 0.024,620 0.021,621 -0.022,622 -0.096,623 -0.04,624 -0.057,625 0.025,626 -0.058,627 0.039,628 0.047,629 0.071,630 0.04,631 0.012,632 0.058,633 0.041,634 -0.058,635 0.049,636 0.023,637 0.032,638 0.038,639 -0.154,640 0.098,641 -0.173,642 -0.023,643 -0.155,644 -0.079,645 0.03,646 -0.054,647 -0.187,648 -0.167,649 -0.056,650 -0.199,651 0.025,652 0.049,653 -0.101,654 -0.106,655 0.029,656 -0.117,657 1.464,658 4.046,659 0.943,660 42.183,661 1.001,662 1.132,663 3.143,664 9.878,665 0.661,666 3.714,667 4.043,668 4.357,669 4.673,670 4.963,671 5.1,672 5.352,673 5.565,674 5.727,675 5.872,676 7.52,677 0.631,678 471.62,679 3.714,680 5.263,681 6.129,682 7.017,683 7.902,684 8.8,685 9.697,686 10.602,687 11.506,688 12.417,689 10.9,692 1,695 1,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,728 1,731 64,733 22,734 1,735 40,737 69,738 26,739 16,740 2,741 4,746 6,747 7,755 3,758 3,761 16,762 10,781 29,782 8,783 1,784 9,787 1,790 7,794 0.833,795 2,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,853 1,854 9,856 1,858 1,859 2,870 3.1,872 1,874 1,877 16.167,878 11.35,879 7.583,880 3.99,881 3.737,882 1.43,883 1.001,884 6.341,885 12.421,886 3.951,887 4.546,888 5.161,889 5.788,890 6.359,891 6.729,892 7.242,893 7.714,894 8.066,895 8.441,896 1,897 57,898 12.969,900 5.599,901 7.557,902 25.374,904 21.544,905 2.057,906 72,910 329.591,911 123.24,912 75.29,914 53.683,917 123.24,918 383.274,919 75.29,921 24.782,922 56.857,923 166.473,924 37.086,925 2.328,926 294.278,928 329.591,929 198.53,930 53.683,933 284.834,934 89.768,935 11,937 60.379,938 68.681,939 67.142,941 329.591,942 128.973,943 123.24,946 329.591,947 39.669,948 91.719,950 120.825,951 329.591,952 128.973,953 123.24,955 0.578,956 0.338,957 0.191,958 0.109,959 29,960 11,961 0.072,962 5,963 1,964 1.061,965 4.634,966 353.02,967 0.061,968 33,969 171.525,974 22.414,975 9.901,976 4.743,977 1.68,978 127.074,979 16.947,980 18.911,984 3.682,985 2.231,986 42.683,987 581.804,988 51,999 64.087,1000 72.474,1001 0.258,1002 0.618,1003 0.824,1004 0.891,1005 0.891,1006 0.891,1007 5.196,1008 1.734,1009 6.098,1010 6.032,1011 4.727,1012 5.234,1013 1.598,1014 6.915,1015 4.613,1016 6.377,1017 1.471,1018 7.649,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.803,1024 4.031,1025 7.673,1026 1.427,1027 9.303,1028 4.039,1029 6.315,1030 7.422,1031 1.256,1032 10.951,1033 6.093,1034 9.006,1035 1.257,1036 11.02,1037 3.225,1038 6.661,1039 8.048,1040 0.581,1041 12.724,1042 6.373,1043 10.377,1044 1.175,1045 12.781,1046 2.992,1047 8.197,1048 9.963,1049 1.023,1050 15.378,1051 7.862,1052 11.776,1053 1.038,1054 14.571,1055 2.887,1056 8.956,1057 11.04,1058 0.515,1059 17.521,1060 8.553,1061 13.198,1062 1,1063 16.384,1064 2.527,1065 10.254,1066 12.72,1067 0.84,1068 20.017,1069 9.8,1070 3.289,1071 1,1072 18.215,1073 2.275,1074 11.219,1075 14.025,1076 0.441,1077 22.323,1078 10.693,1079 2.87,1080 11.617,1081 20.059,1082 2.136,1083 12.421,1084 15.607,1085 0.689,1086 24.771,1087 11.839,1088 2.768,1089 9.599,1090 21.914,1091 4.638,1092 13.488,1093 17.027,1094 0.373,1095 27.148,1096 12.834,1097 2.649,1098 9.006,1099 23.778,1100 3.81,1101 14.657,1102 18.57,1103 0.564,1104 29.585,1105 13.942,1106 2.365,1107 7.742,1108 25.65,1109 3.457,1110 15.775,1111 20.046,1112 0.314,1113 31.997,1114 14.988,1115 2.223,1116 7.121,1117 27.529,1118 3.353,1119 16.937,1120 21.577,1121 0.461,1122 34.435,1123 16.085,1124 2.088,1125 6.096,1126 29.414,1127 2.996,1128 18.081,1129 23.081,1130 0.264,1131 36.864,1132 17.159,1133 17525,1134 27382,1135 28.027,1136 42.324,1137 60.456,1138 60.47,1139 60.737,1140 60.293,1141 60.236,1142 76.671,1143 5.498,1144 172.635,1145 56.769,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.079,1155 8.124,1156 1.511,1157 1.512,1158 1.518,1159 1.507,1160 1.506,1161 1.917,1162 0.137,1163 4.316,1164 1.419,1165 4.14,1166 4.192,1167 4.115,1168 3.974,1169 6.471,1170 4.002,1171 3.913,1172 3.962,1173 3.841,1174 3.807,1175 5.137,1176 3.809,1177 3.872,1178 3.902,1179 3.816,1180 3.772,1181 4.896,1182 3.78,1183 3.775,1184 3.831,1185 3.67,1186 3.608,1187 4.66,1188 3.614,1189 3.684,1190 3.744,1191 3.571,1192 3.478,1193 4.616,1194 3.493,1195 3.301,1196 3.368,1197 3.235,1198 3.089,1199 4.405,1200 3.113,1201 3.135,1202 3.206,1203 3.017,1204 2.969,1205 4.272,1206 2.972,1207 3.111,1208 3.206,1209 2.868,1210 2.941,1211 4.022,1212 2.91,1213 0.117,1214 0.085,1215 0.173,1216 0.106,1217 0.082,1218 4.694,1219 0.116,1220 3.38,1221 0.023,1222 6.903,1223 0.29,1224 4.225,1225 0.077,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.079,1231 1.946,1232 1.914,1233 2.072,1234 2.105,1235 1.431,1236 2.093,1237 1.891,1238 1.846,1239 2.01,1240 2.04,1241 1.213,1242 2.034,1243 1.804,1244 1.762,1245 1.942,1246 1.945,1247 1.085,1248 1.944,1249 1.75,1250 1.699,1251 1.924,1252 1.939,1253 1.068,1254 1.941,1255 1.562,1256 1.512,1257 1.675,1258 1.769,1259 0.825,1260 1.75,1261 1.341,1262 1.264,1263 1.515,1264 1.61,1265 0.825,1266 1.584,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.819,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.665,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.867,1286 6.862,1287 10.534,1294 10.046,1295 7.896,1297 5.565,1299 0.328,1300 4.715,1305 40.374,1306 99.256,1307 237.25,1308 316.49,1309 342,1310 342,1311 342,1312 48.744,1313 8.684,1314 92.43,1315 92.43,1316 35,1317 12.933,1318 4.524,1319 3.585,1320 46.924,1321 152,1322 189,1323 0.145,1324 242.09,1325 408.78,1326 582.458,1327 77214,1329 23.614,1330 0.675,1331 0.561,1332 23.614,1333 19.623,1334 17.242,1335 0.431,1336 0.306,1337 12.021,1338 16.482,1339 11.836,1340 9.685,1341 17.242,1342 12.224,1343 15.415,1344 0.275,1345 0.165,1346 15.415,1347 9.213,1348 13.42,1349 0.174,1350 0.09,1351 13.42,1352 6.897,1353 11.712,1354 0.11,1355 0.048,1356 11.712,1357 5.044,1358 9.966,1359 0.07,1360 0.026,1361 9.966,1362 3.638,1363 0.227,1364 108.527,1365 0.189,1366 32.103,1367 0.402,1368 192,1369 519.401,1370 211.664,1371 500.575,1372 699.91,1373 474,1374 229,1375 526.329,1376 251.192,1377 531.475,1378 785.86,1379 501,1380 7.18}
{0 CHEMBL593064,1 1.649,2 12.806,3 2.782,4 7.738,5 137.001,6 7.907,7 0.537,8 4.286,9 4.404,10 3.915,11 3.8,12 5.34,13 3.794,14 4.861,15 5.042,16 4.299,17 4.221,18 5.866,19 4.195,20 5.126,21 5.34,22 4.359,23 4.384,24 6.076,25 4.311,26 5.194,27 5.45,28 4.319,29 4.39,30 6.068,31 4.299,32 5.161,33 5.395,34 4.337,35 4.388,36 6.116,37 4.311,38 5.15,39 5.377,40 4.354,41 4.398,42 6.085,43 4.332,44 5.145,45 5.352,46 4.319,47 4.42,48 6.085,49 4.325,50 5.199,51 5.433,52 4.198,53 4.414,54 6.086,55 4.29,56 0.057,57 1.011,58 12.443,59 5.436,60 9.866,61 7.15,62 0.409,63 1.667,64 26.241,65 9.013,66 28.168,67 12.173,68 0.583,69 2.019,70 38.802,71 12.62,72 48.355,73 17.626,74 0.571,75 2.129,76 41.669,77 13.512,78 45.418,79 19.738,80 0.634,81 2.082,82 41.593,83 12.6,84 61.342,85 18.404,86 0.597,87 2.129,88 37.298,89 11.44,90 44.014,91 16.539,92 0.608,93 2.022,94 40.203,95 13.086,96 45.914,97 18.186,98 0.578,99 2.018,100 44.142,101 15.071,102 54.918,103 20.844,104 5,105 58,106 0.261,107 0.607,108 0.792,109 0.845,110 0.845,111 0.845,112 3.616,113 0.929,114 -4.84,115 -4.75,116 -4.46,119 40.6,121 2,125 7,127 1,142 5,143 2,144 2,145 2,146 1,147 1,149 1,160 1,161 1,172 5,174 4,175 8,180 2,183 6,186 4,187 7,192 2,195 3,198 5,199 8,204 1,207 2,211 1,212 8,215 2,220 2,223 3,224 11,232 2,236 2,237 5,240 2,245 6,249 3,250 6,253 1,258 2,263 8,268 2,271 2,275 2614,276 24.894,277 24.894,278 24.894,279 24.894,280 24.894,281 22.332,282 30.764,283 14.744,284 25.761,285 20.317,286 20.317,287 20.317,288 20.317,289 20.317,290 16.417,291 40.865,292 7.088,293 21.797,294 4.351,295 2.161,296 0.994,297 0.656,298 0.656,299 0.656,300 4.337,301 1,305 1,306 1032,307 2.646,310 80.54,311 542.288,314 146.706,318 2.06,319 31.723,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 77.833,331 461,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.079,341 4.19,342 3.104,343 6.33,344 3.822,345 2.871,346 3.81,347 0.86,348 9.599,349 2.748,350 4.062,351 3.014,352 6.124,353 3.729,354 2.771,355 3.653,356 0.8,357 9.006,358 2.64,359 3.985,360 2.878,361 5.666,362 3.649,363 2.707,364 3.354,365 0.172,366 7.897,367 2.545,368 3.605,369 2.817,370 5.556,371 3.365,372 2.441,373 2.996,375 7.198,376 2.253,377 3.57,378 2.52,379 5.197,380 3.182,381 2.249,382 2.689,384 6.481,385 2.096,386 3.352,387 2.367,388 5.05,389 3.079,390 2.148,391 2.51,393 6.074,394 1.971,395 3.131,396 2.268,397 4.776,398 2.776,399 1.865,400 2.234,402 5.129,403 1.64,404 2.943,405 2.096,406 4.645,407 2.614,408 1.703,409 2.138,411 4.764,412 1.528,413 2.887,414 1.545,415 4.326,416 2.416,417 1.471,418 1.958,420 4.039,421 1.386,422 2.663,423 1.532,424 4.078,425 2.162,426 1.266,427 1.738,428 3.175,429 1.144,430 2.647,431 1.279,432 3.751,433 2.137,434 1.195,435 1.71,436 2.894,437 1.106,438 2.489,439 1.256,440 3.481,441 2.09,442 1.167,443 1.484,445 2.593,446 1.06,447 2.381,448 1.193,449 3.476,450 1.984,451 1.038,452 1.369,454 2.527,455 0.983,456 2.004,457 1.077,458 3.414,459 1.979,460 1,461 1,463 2.275,464 0.972,465 17.181,466 0.477,467 0.794,468 0.022,469 46.75,470 1.299,471 21,472 0.583,473 25.75,474 0.715,475 34.05,476 0.946,477 38.619,478 0.603,479 36.093,480 1.003,481 8.933,482 0.248,483 8.703,484 0.242,485 0.061,487 0.332,493 0.876,494 1.569,495 0.65,496 1.116,497 0.791,498 0.961,499 1.123,500 1.072,501 0.802,502 0.859,503 0.691,504 0.867,505 0.958,506 1.15,507 0.954,508 1.047,509 0.813,510 1.036,511 0.719,512 0.963,513 0.731,514 0.861,515 0.699,516 0.889,517 0.813,518 1.113,519 0.932,520 0.984,521 0.833,522 0.97,523 1.033,524 1.011,525 0.909,526 0.891,527 0.86,528 0.972,529 0.937,530 1.118,531 1.21,532 1.186,533 0.915,534 1.204,535 0.869,536 0.932,537 1.107,538 1.153,539 0.897,540 1.167,541 6.5,542 0.185,543 3.556,544 2.035,545 1.787,546 1.33,547 0.975,548 0.536,549 0.34,550 0.266,551 20766,552 56278,553 2.203,554 43.8,556 20,558 3,559 1,562 4,564 1.777,565 2.118,566 3.608,567 -0.327,573 105.531,574 1.649,575 3.839,576 5.006,577 5.344,578 5.344,579 5.344,580 3.055,581 4.871,582 5.135,583 3.839,584 2418.66,585 9.047,586 38204,591 384,592 1.194,593 5.125,594 0.159,595 0.006,596 0.061,597 0.034,598 0.031,599 0.023,600 0.017,601 0.01,602 0.007,603 0.006,604 0.354,605 0.17,606 0.75,607 0.375,608 195.632,609 -0.056,610 -0.356,611 0.049,612 -0.117,613 -0.018,614 -0.027,615 -0.104,616 0.08,617 -0.003,618 0.075,619 0.038,620 0.043,621 -0.018,622 -0.102,623 -0.055,624 -0.08,625 0.027,626 -0.076,627 0.038,628 0.055,629 0.097,630 0.078,631 0.028,632 0.087,633 0.028,634 -0.068,635 -0.028,636 -0.033,637 -0.005,638 -0.006,639 -0.149,640 0.106,641 -0.107,642 0.01,643 -0.14,644 -0.056,645 -0.035,646 -0.057,647 -0.238,648 -0.2,649 -0.108,650 -0.239,651 -0.023,652 0.044,653 -0.166,654 -0.148,655 -0.028,656 -0.16,657 1.472,658 4.054,659 0.917,660 44.145,661 1.006,662 1.132,663 3.612,664 13.047,665 0.675,666 3.738,667 4.078,668 4.382,669 4.7,670 4.984,671 5.13,672 5.366,673 5.58,674 5.746,675 5.894,676 7.752,677 0.644,678 506.06,679 3.738,680 5.293,681 6.159,682 7.05,683 7.934,684 8.834,685 9.729,686 10.635,687 11.537,688 12.448,689 10.9,692 1,695 1,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 1,728 1,730 1,731 64,733 22,734 1,735 41,737 69,738 26,739 16,740 2,741 4,746 6,747 7,748 1,755 3,758 3,761 16,762 10,781 28,782 8,783 1,784 10,785 1,787 1,790 7,794 0.833,795 2,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,845 1,848 36,853 1,854 9,856 1,858 1,859 2,869 1,870 3.1,872 1,874 1,877 17,878 11.41,879 7.75,880 3.97,881 3.779,882 1.431,883 0.999,884 6.763,885 12.55,886 3.97,887 4.577,888 5.187,889 5.815,890 6.38,891 6.758,892 7.249,893 7.72,894 8.072,895 8.447,896 1,897 59,898 13.327,900 5.768,901 7.605,902 25.935,904 22.022,905 2.105,906 75.778,910 317.82,911 117.264,912 75.29,913 39.149,914 53.683,917 117.264,918 410.652,919 75.29,921 24.782,922 47.381,923 166.473,924 40.586,925 2.328,926 282.506,927 39.149,928 317.82,929 192.554,930 53.683,931 39.149,933 273.063,934 89.768,935 11,937 60.379,938 62.705,939 106.291,941 317.82,942 128.973,943 156.413,946 317.82,947 43.169,948 82.242,950 159.974,951 317.82,952 128.973,953 156.413,955 0.582,956 0.338,957 0.19,958 0.108,959 30,960 12,961 0.072,962 5,963 1,964 1.061,965 4.684,966 366.187,967 0.061,968 33,969 178.117,974 23.622,975 10.307,976 5.075,977 1.649,978 127.074,979 14.543,980 18.865,984 4.195,985 2.214,986 42.683,987 603.206,988 52,999 64.411,1000 72.418,1001 0.275,1002 0.64,1003 0.834,1004 0.891,1005 0.891,1006 0.891,1007 5.223,1008 1.865,1009 6.138,1010 6.074,1011 4.762,1012 5.265,1013 1.598,1014 6.957,1015 4.629,1016 6.414,1017 1.703,1018 7.693,1019 5.129,1020 4.29,1021 5.037,1022 0.57,1023 7.847,1024 4.072,1025 7.716,1026 1.471,1027 9.348,1028 4.764,1029 6.358,1030 7.464,1031 1.256,1032 10.985,1033 6.109,1034 9.054,1035 1.266,1036 11.064,1037 4.039,1038 6.723,1039 8.115,1040 0.581,1041 12.745,1042 6.398,1043 10.428,1044 1.195,1045 12.821,1046 3.175,1047 8.238,1048 10.006,1049 1.023,1050 15.398,1051 7.877,1052 11.827,1053 1.167,1054 14.607,1055 2.894,1056 9.004,1057 11.092,1058 0.515,1059 17.533,1060 8.57,1061 13.248,1062 1.038,1063 16.416,1064 2.593,1065 10.292,1066 12.758,1067 0.84,1068 20.028,1069 9.813,1070 3.289,1071 1,1072 18.242,1073 2.527,1074 11.257,1075 14.065,1076 0.441,1077 22.329,1078 10.707,1079 2.871,1080 11.617,1081 20.082,1082 2.275,1083 12.453,1084 15.638,1085 0.689,1086 24.776,1087 11.851,1088 2.771,1089 9.599,1090 21.934,1091 4.638,1092 13.518,1093 17.056,1094 0.373,1095 27.152,1096 12.846,1097 2.707,1098 9.006,1099 23.795,1100 3.81,1101 14.683,1102 18.594,1103 0.564,1104 29.588,1105 13.952,1106 2.441,1107 7.897,1108 25.665,1109 3.653,1110 15.798,1111 20.067,1112 0.314,1113 31.999,1114 14.998,1115 2.249,1116 7.198,1117 27.541,1118 3.354,1119 16.957,1120 21.595,1121 0.461,1122 34.436,1123 16.094,1124 2.148,1125 6.481,1126 29.424,1127 2.996,1128 18.099,1129 23.096,1130 0.264,1131 36.865,1132 17.167,1133 18981,1134 31397,1135 28.433,1136 43.182,1137 62.083,1138 62.298,1139 62.903,1140 62.128,1141 61.892,1142 78.504,1143 5.498,1144 178.957,1145 57.589,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.079,1155 11.944,1156 1.514,1157 1.519,1158 1.534,1159 1.515,1160 1.51,1161 1.915,1162 0.134,1163 4.365,1164 1.405,1165 4.14,1166 4.192,1167 4.117,1168 3.975,1169 6.471,1170 4.002,1171 3.916,1172 3.961,1173 3.987,1174 3.814,1175 5.138,1176 3.816,1177 3.873,1178 3.902,1179 3.822,1180 3.78,1181 5.013,1182 3.787,1183 3.777,1184 3.831,1185 3.693,1186 3.612,1187 4.66,1188 3.617,1189 3.685,1190 3.743,1191 3.593,1192 3.479,1193 4.616,1194 3.494,1195 3.302,1196 3.368,1197 3.345,1198 3.1,1199 4.455,1200 3.119,1201 3.139,1202 3.206,1203 3.202,1204 2.984,1205 4.401,1206 2.987,1207 3.111,1208 3.206,1209 2.96,1210 2.941,1211 4.265,1212 2.91,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.225,1225 0.075,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.079,1231 1.946,1232 1.914,1233 2.068,1234 2.105,1235 1.431,1236 2.092,1237 1.888,1238 1.846,1239 2.008,1240 2.038,1241 1.213,1242 2.032,1243 1.801,1244 1.762,1245 1.926,1246 1.944,1247 1.085,1248 1.943,1249 1.749,1250 1.699,1251 1.903,1252 1.926,1253 1.067,1254 1.927,1255 1.561,1256 1.512,1257 1.673,1258 1.768,1259 0.825,1260 1.748,1261 1.339,1262 1.265,1263 1.513,1264 1.607,1265 0.825,1266 1.58,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.817,1272 1.429,1273 1.153,1274 1.064,1275 1.5,1276 1.376,1277 0.655,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.284,1284 4.727,1285 8.904,1286 6.862,1287 10.572,1290 6.116,1294 10.054,1295 7.619,1297 5.564,1299 0.299,1300 4.661,1305 41.202,1306 105.531,1307 245.68,1308 320.39,1309 342,1310 342,1311 342,1312 52.995,1313 8.771,1314 92.43,1315 92.43,1316 35,1317 12.965,1318 4.524,1319 3.585,1320 48.931,1321 162,1322 185,1323 0.142,1324 250.422,1325 423.99,1326 602.791,1327 86365,1328 1.6,1329 24.485,1330 0.68,1331 0.574,1332 24.985,1333 20.68,1334 17.636,1335 0.43,1336 0.31,1337 12.15,1338 16.574,1339 11.928,1340 9.737,1341 17.925,1342 12.701,1343 16.049,1344 0.277,1345 0.169,1346 16.457,1347 9.8,1348 13.741,1349 0.174,1350 0.09,1351 14.003,1352 7.143,1353 12.063,1354 0.111,1355 0.049,1356 12.332,1357 5.291,1358 10.102,1359 0.07,1360 0.026,1361 10.268,1362 3.732,1363 0.224,1364 114.065,1365 0.188,1366 32.874,1367 0.391,1368 198,1369 553.604,1370 233.183,1371 562.864,1372 771.32,1373 530,1374 236,1375 553.191,1376 268.443,1377 568.423,1378 839.93,1379 535,1380 7.432}
{0 CHEMBL593156,1 1.667,2 8,3 3.602,4 12.972,5 92.322,6 8.279,7 0.571,8 3.862,9 3.957,10 3.582,11 3.475,12 4.915,13 3.441,14 4.43,15 4.57,16 3.994,17 3.904,18 5.459,19 3.854,20 4.699,21 4.895,22 3.984,23 3.961,24 5.658,25 3.884,26 4.62,27 4.862,28 3.856,29 3.88,30 5.534,31 3.78,32 4.484,33 4.678,34 3.895,35 3.884,36 5.515,37 3.785,38 4.477,39 4.636,40 3.948,41 3.95,42 5.462,43 3.843,44 4.523,45 4.705,46 3.758,47 3.89,48 5.486,49 3.75,50 4.446,51 4.678,52 3.39,53 3.622,54 5.356,55 3.459,56 0.038,57 0.612,58 7.809,59 3.948,60 7.498,61 4.541,62 0.177,63 1.082,64 16.67,65 7.066,66 17.031,67 8.111,68 0.41,69 1.352,70 26.086,71 8.859,72 33.38,73 10.869,74 0.288,75 1.291,76 23.691,77 8.316,78 28.596,79 10.791,80 0.341,81 1.143,82 23.127,83 8.169,84 32.495,85 9.637,86 0.197,87 1.148,88 20.261,89 7.89,90 18.056,91 8.86,92 0.224,93 1.121,94 24.645,95 9.585,96 21.288,97 11.158,98 0.232,99 0.956,100 21.44,101 8.142,102 27.339,103 10.071,104 2,105 41,106 0.291,107 0.644,108 0.784,109 0.833,110 0.833,111 0.833,112 3.23,113 0.974,114 -4.25,115 -4.19,116 -3.96,119 43.9,121 2,125 2,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,172 5,174 2,175 5,180 2,183 5,186 1,187 9,192 2,195 2,198 1,199 5,204 1,207 1,211 1,212 6,215 2,220 3,224 2,232 5,236 1,237 5,240 1,242 1,245 6,250 2,255 1,258 5,263 1,271 2,275 756,276 16.635,277 16.635,278 16.635,279 16.635,280 16.635,281 14.817,282 14.768,283 9.67,284 17.185,285 13.897,286 13.897,287 13.897,288 13.897,289 13.897,290 11.136,291 20.271,292 4.673,293 14.864,294 3.69,295 1.667,296 0.869,297 0.585,298 0.585,299 0.585,300 3.946,303 1,304 1,305 1,306 440,307 2.121,310 94.767,311 170.663,312 63.385,314 83.45,318 1.167,319 20.421,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 192,332 4.606,333 3.377,334 6.74,335 4.139,336 3.21,337 4.53,338 0.86,339 11.054,340 2.982,341 4.157,342 3.094,343 6.132,344 3.81,345 2.863,346 3.786,347 0.8,348 9.062,349 2.719,350 3.907,351 2.835,352 5.908,353 3.682,354 2.731,355 3.109,357 8.471,358 2.574,359 3.604,360 2.53,361 5.497,362 3.215,363 2.291,364 3.005,366 7.161,367 2.115,368 3.518,369 2.386,370 5.05,371 3.154,372 2.211,373 2.69,375 6.077,376 2.076,377 2.937,378 2.093,379 4.879,380 2.839,381 1.879,382 2.134,384 5.638,385 1.794,386 2.879,387 1.581,388 4.572,389 2.4,390 1.473,391 1.879,393 4.398,394 1.366,395 2.715,396 1.533,397 4.309,398 2.367,399 1.44,400 1.777,402 3.984,403 1.32,404 2.63,405 1.184,406 3.573,407 2.122,408 1.168,409 1.675,411 2.594,412 1.105,413 2.5,414 1,415 3.457,416 1.91,417 1,418 1.5,420 2.345,421 0.889,422 1.982,423 0.964,424 3.411,425 1.648,426 0.717,427 0.807,428 1.763,429 0.66,430 1.688,431 0.595,432 3.267,433 1.397,434 0.52,435 0.649,436 1.444,437 0.449,438 0.998,439 -0.057,440 2.774,441 0.602,442 -0.347,443 -0.347,445 -0.873,446 -0.327,447 0.909,448 -0.075,449 2.653,450 0.553,451 -0.381,452 -0.49,454 -1.042,455 -0.349,456 0.73,457 -0.286,458 2.568,459 0.489,460 -0.424,461 -0.518,463 -1.245,464 -0.383,465 11.7,466 0.488,467 0.585,468 0.024,469 31.5,470 1.313,471 15,472 0.625,473 16.5,474 0.688,475 19.829,476 0.826,477 24.9,478 0.607,479 19.89,480 0.829,481 5.657,482 0.236,483 6.103,484 0.254,485 0.028,487 0.376,493 0.9,494 1.19,495 0.699,496 0.897,497 0.904,498 0.843,499 1.037,500 1.069,501 0.881,502 0.955,503 0.639,504 0.913,505 1.269,506 1.201,507 0.928,508 0.963,509 0.98,510 0.978,511 0.843,512 0.925,513 0.761,514 0.729,515 0.76,516 0.816,517 0.72,518 0.933,519 1.141,520 0.98,521 0.676,522 0.859,523 0.954,524 1.02,525 1.246,526 1.156,527 0.88,528 1.113,529 0.668,530 1.167,531 1.397,532 1.439,533 0.683,534 1.271,535 0.997,536 0.992,537 1.032,538 1.149,539 1.131,540 1.226,541 5,542 0.037,543 2.222,544 1.285,545 1.123,546 0.719,547 0.355,548 0.301,549 0.136,550 0.079,551 6472,552 16355,553 2.262,554 41.5,556 11,557 1,559 1,561 4,564 1.675,565 2.182,566 3.029,567 -0.301,569 1,571 1,573 68.359,574 1.667,575 3.691,576 4.489,577 4.772,578 4.772,579 4.772,580 2.44,581 4.252,582 4.56,583 3.169,584 874.656,585 7.899,586 9904.94,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.179,595 0.006,596 0.054,597 0.034,598 0.033,599 0.02,600 0.01,601 0.01,602 0.008,603 0.008,604 0.361,605 0.33,606 0.88,607 0.382,608 111.154,609 -0.068,610 -0.131,611 0.069,612 0.023,613 -0.087,614 0.037,615 -0.042,616 -0.004,617 -0.005,618 -0.02,619 0.07,620 -0.02,621 -0.105,622 -0.21,623 -0.014,624 -0.051,625 -0.053,626 -0.048,627 -0.047,628 0.11,629 0.126,630 0.151,631 0.022,632 0.141,633 0.118,634 0.147,635 -0.018,636 0.087,637 0.153,638 0.109,639 -0.163,640 0.081,641 -0.181,642 -0.099,643 -0.19,644 -0.178,645 0.11,646 -0.185,647 -0.244,648 -0.308,649 0.06,650 -0.255,651 -0.049,652 -0.107,653 -0.092,654 -0.189,655 -0.065,656 -0.208,657 1.438,658 3.763,659 0.958,660 16.333,661 1.005,662 1.116,663 3.025,664 9.15,665 0.705,666 3.367,667 3.738,668 4.06,669 4.407,670 4.654,671 4.82,672 5.017,673 5.165,674 5.288,675 5.384,676 5.132,677 0.668,678 339.45,679 3.367,680 4.934,681 5.814,682 6.72,683 7.615,684 8.526,685 9.428,686 10.34,687 11.247,688 12.161,689 7.3,695 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,728 1,731 41,733 16,734 1,735 28,737 45,738 18,739 12,740 2,741 4,746 5,747 7,755 4,758 4,761 12,762 6,777 1,778 1,781 17,782 5,783 1,784 6,785 1,790 3,794 0.6,795 2,801 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,848 24,853 1,854 4,856 1,858 2,859 1,865 1,870 4.9,872 1,874 1,877 11,878 7.3,879 5.028,880 2.563,881 3.03,882 1.391,883 1.027,884 3.456,885 10.779,886 3.611,887 4.245,888 4.874,889 5.517,890 6.061,891 6.468,892 6.972,893 7.42,894 7.721,895 8.066,896 1,897 38,898 8.905,900 3.973,901 7.583,902 17.431,904 15.361,905 2.083,906 50,909 1,910 188.338,911 106.32,912 36.695,914 53.683,916 31.278,917 75.042,918 242.021,919 36.695,921 9.28,922 55.03,923 87.254,924 10.782,925 14.845,926 207.844,928 188.338,929 111.737,930 53.683,931 31.278,933 143.581,934 89.768,935 11,937 11.425,938 64.414,939 33.571,940 31.278,941 188.338,942 90.379,943 106.32,946 188.338,947 51.29,948 58.155,950 87.254,951 188.338,952 90.379,953 106.32,955 0.592,956 0.347,957 0.199,958 0.107,959 24,960 9,961 0.044,962 2,963 3,964 1.217,965 3.66,966 216.957,967 0.261,968 22,969 104.039,970 1,974 14.614,975 5.675,976 2.597,977 2.086,978 90.379,979 11.213,980 9.549,983 1.681,984 2.715,986 42.683,987 385.036,988 36,999 41.222,1000 45.74,1001 0.311,1002 0.689,1003 0.838,1004 0.891,1005 0.891,1006 0.891,1007 4.875,1008 1.44,1009 5.808,1010 4.398,1011 4.419,1012 4.931,1013 1.235,1014 6.648,1015 4.288,1016 6.078,1017 1.168,1018 7.375,1019 3.984,1020 4.007,1021 4.732,1022 0.325,1023 7.535,1024 3.809,1025 7.388,1026 1,1027 9.036,1028 2.594,1029 6.038,1030 7.15,1031 0.938,1032 10.67,1033 5.784,1034 8.733,1035 0.717,1036 10.754,1037 2.345,1038 6.447,1039 7.828,1040 0.268,1041 12.394,1042 6.111,1043 10.112,1044 0.52,1045 12.509,1046 1.763,1047 7.933,1048 9.707,1049 0.732,1050 15.033,1051 7.551,1052 11.514,1053 -0.347,1054 14.289,1055 1.444,1056 8.726,1057 10.808,1058 0.188,1059 17.121,1060 8.256,1061 12.937,1062 -0.381,1063 16.089,1064 -0.873,1065 9.994,1066 12.466,1067 0.57,1068 19.589,1069 9.474,1070 3.21,1071 -0.424,1072 17.905,1073 -1.042,1074 10.969,1075 13.775,1076 0.125,1077 21.841,1078 10.363,1079 2.863,1080 11.054,1081 19.732,1082 -1.245,1083 12.151,1084 15.338,1085 0.438,1086 24.252,1087 11.487,1088 2.731,1089 9.062,1090 21.57,1091 4.53,1092 13.213,1093 16.749,1094 0.082,1095 26.579,1096 12.467,1097 2.291,1098 8.471,1099 23.416,1100 3.786,1101 14.364,1102 18.274,1103 0.334,1104 28.973,1105 13.553,1106 2.211,1107 7.161,1108 25.27,1109 3.109,1110 15.468,1111 19.733,1112 0.054,1113 31.336,1114 14.577,1115 1.879,1116 6.077,1117 27.13,1118 3.005,1119 16.611,1120 21.244,1121 0.252,1122 33.727,1123 15.651,1124 1.473,1125 5.638,1126 28.995,1127 2.69,1128 17.737,1129 22.728,1130 0.035,1131 36.108,1132 16.698,1133 5872,1134 9460,1135 19.592,1136 28.904,1137 43.389,1138 43.104,1139 43.304,1140 42.993,1141 43.007,1142 55.084,1143 3.32,1144 127.983,1145 40.098,1146 5.606,1147 5.377,1148 6.292,1149 5.249,1150 5.21,1151 7.53,1152 1.72,1153 18.31,1154 4.982,1155 6.214,1156 1.55,1157 1.539,1158 1.547,1159 1.535,1160 1.536,1161 1.967,1162 0.119,1163 4.571,1164 1.432,1165 4.093,1166 4.119,1167 4.318,1168 4.051,1169 6.471,1170 4.015,1171 3.895,1172 3.931,1173 3.858,1174 3.812,1175 5.047,1176 3.796,1177 3.84,1178 3.857,1179 3.803,1180 3.735,1181 4.664,1182 3.734,1183 3.312,1184 3.375,1185 3.375,1186 3.162,1187 4.589,1188 3.161,1189 3.151,1190 3.213,1191 3.081,1192 2.975,1193 4.277,1194 2.977,1195 3.093,1196 3.176,1197 2.89,1198 2.951,1199 3.97,1200 2.926,1201 2.929,1202 2.969,1203 2.814,1204 2.746,1205 3.552,1206 2.748,1207 2.767,1208 2.826,1209 2.735,1210 2.634,1211 3.51,1212 2.623,1213 0.165,1214 0.121,1215 0.241,1216 0.148,1217 0.115,1218 4.606,1219 0.162,1220 3.377,1221 0.031,1222 6.74,1223 0.395,1224 4.139,1225 0.106,1226 3.21,1227 4.53,1228 0.86,1229 11.054,1230 2.982,1231 1.936,1232 1.911,1233 2.011,1234 2.055,1235 1.255,1236 2.041,1237 1.766,1238 1.736,1239 1.884,1240 1.922,1241 1.219,1242 1.918,1243 1.604,1244 1.543,1245 1.86,1246 1.76,1247 1.081,1248 1.798,1249 1.577,1250 1.535,1251 1.707,1252 1.753,1253 0.856,1254 1.742,1255 1.377,1256 1.372,1257 1.388,1258 1.428,1259 0.621,1260 1.488,1261 0.969,1262 0.944,1263 1.215,1264 1.152,1265 0.496,1266 1.135,1267 0.883,1268 0.838,1269 1.146,1270 1.088,1271 0.291,1272 1.114,1273 0.779,1274 0.668,1275 1.099,1276 1.051,1277 0.245,1278 1.105,1279 4.043,1281 5.398,1282 3.045,1283 6.942,1284 5.352,1285 8.576,1286 7.391,1287 10.259,1294 9.763,1295 4.054,1297 5.958,1299 0.635,1300 2.346,1305 27.369,1306 68.359,1307 151.321,1308 184.05,1309 195.66,1310 195.66,1311 195.66,1312 29.997,1313 7.749,1314 58.48,1315 86.72,1316 28,1317 12.675,1318 4.087,1319 3.17,1320 30.11,1321 73,1322 69,1323 0.202,1324 165.48,1325 276.07,1326 395.532,1327 23643,1329 16.096,1330 0.671,1331 0.578,1332 16.449,1333 13.869,1334 11.759,1335 0.42,1336 0.325,1337 8.183,1338 10.885,1339 7.978,1340 6.49,1341 12.213,1342 9.091,1343 11.059,1344 0.27,1345 0.179,1346 11.615,1347 7.335,1348 9.619,1349 0.169,1350 0.099,1351 10.308,1352 5.633,1353 8.676,1354 0.107,1355 0.055,1356 9.46,1357 4.472,1358 6.988,1359 0.067,1360 0.029,1361 7.572,1362 2.98,1363 0.305,1364 77.881,1365 0.226,1366 22.818,1367 0.595,1368 138,1369 369.681,1370 173.227,1371 376.517,1372 527.92,1373 356,1374 167,1375 386.336,1376 201.796,1377 402.052,1378 599.52,1379 381,1380 6.399}
{0 CHEMBL593157,1 1.716,2 12.533,3 2.446,4 5.982,5 113.576,6 8.029,7 0.471,8 4.103,9 4.214,10 3.773,11 3.644,12 5.173,13 3.622,14 4.668,15 4.826,16 4.159,17 4.063,18 5.741,19 4.015,20 4.934,21 5.149,22 4.162,23 4.139,24 5.919,25 4.067,26 4.867,27 5.105,28 4.076,29 4.088,30 5.862,31 4.003,32 4.782,33 4.984,34 4.111,35 4.099,36 5.927,37 4.014,38 4.75,39 4.921,40 4.13,41 4.162,42 5.77,43 4.056,44 4.8,45 5.004,46 3.967,47 4.119,48 5.743,49 3.984,50 4.748,51 4.99,52 3.677,53 3.9,54 5.738,55 3.748,56 0.087,57 0.838,58 10.734,59 4.882,60 10.918,61 5.892,62 0.403,63 1.385,64 22.438,65 8.635,66 34.346,67 10.547,68 0.649,69 1.659,70 33.943,71 10.255,72 53.742,73 13.794,74 0.458,75 1.577,76 30.352,77 9.838,78 47.82,79 13.366,80 0.581,81 1.473,82 30.727,83 10.097,84 69.664,85 12.499,86 0.369,87 1.486,88 27.101,89 10.455,90 35.81,91 12.433,92 0.285,93 1.475,94 31.638,95 11.875,96 29.321,97 14.801,98 0.464,99 1.276,100 28.64,101 10.409,102 53.656,103 13.819,104 10,105 48,106 0.284,107 0.657,108 0.794,109 0.835,110 0.835,111 0.835,112 3.441,113 0.97,114 -3.39,115 -3.37,116 -3.23,119 39.6,121 2,125 4,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,159 1,172 5,174 2,175 5,178 2,179 1,180 2,183 5,186 1,187 9,191 1,192 2,195 2,198 1,199 9,204 3,207 1,211 1,212 6,215 1,216 1,217 2,220 3,224 4,227 2,229 1,232 6,236 1,237 4,242 2,245 6,249 2,250 2,253 3,255 3,258 4,263 2,268 2,271 4,275 1556,276 20.781,277 20.781,278 20.781,279 20.781,280 20.781,281 18.861,282 22.063,283 12.381,284 21.437,285 16.829,286 16.829,287 16.829,288 16.829,289 16.829,290 13.821,291 31.347,292 5.929,293 17.943,294 4.012,295 1.758,296 0.927,297 0.679,298 0.679,299 0.679,300 4.153,304 1,305 1,306 844,307 3.391,310 137.852,311 246.392,312 89.504,314 124.663,318 2.062,319 28.909,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 65.5,331 376,332 4.605,333 3.546,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.154,342 3.377,343 6.115,344 3.809,345 2.861,346 3.773,347 0.86,348 8.994,349 2.724,350 3.908,351 3.09,352 5.907,353 3.694,354 2.74,355 3.2,356 0.8,357 8.458,358 2.586,359 3.824,360 2.777,361 5.498,362 3.478,363 2.518,364 3.09,365 0.247,366 7.343,367 2.407,368 3.528,369 2.523,370 5.471,371 3.215,372 2.29,373 2.717,375 7.159,376 2.115,377 3.466,378 2.394,379 4.879,380 3.065,381 2.09,382 2.682,384 5.638,385 2.027,386 2.963,387 2.093,388 4.827,389 2.839,390 1.879,391 2.167,393 5.52,394 1.794,395 2.879,396 1.866,397 4.578,398 2.434,399 1.514,400 1.879,402 4.427,403 1.39,404 2.697,405 1.582,406 4.398,407 2.367,408 1.444,409 1.733,411 4.201,412 1.321,413 2.542,414 1.535,415 3.575,416 2.291,417 1.345,418 1.561,420 2.515,421 1.257,422 2.5,423 1.064,424 3.414,425 2,426 1.049,427 1.5,428 2.395,429 1,430 2.439,431 1.01,432 3.414,433 1.932,434 1,435 1.419,436 2.275,437 0.904,438 1.994,439 1,440 3.364,441 1.651,442 0.72,443 0.824,445 1.776,446 0.662,447 1.688,448 0.964,449 3.267,450 1.42,451 0.541,452 0.656,454 1.482,455 0.468,456 1.354,457 0.646,458 2.775,459 1.147,460 0.261,461 0.275,463 0.452,464 0.229,465 14.333,466 0.478,467 0.653,468 0.022,469 37.25,470 1.242,471 16.5,472 0.55,473 20.75,474 0.692,475 26.561,476 0.885,477 32.467,478 0.613,479 27.003,480 0.9,481 6.973,482 0.232,483 7.718,484 0.257,485 0.047,487 0.342,493 0.893,494 1.327,495 0.736,496 0.976,497 0.739,498 0.901,499 0.932,500 1.073,501 0.914,502 0.976,503 0.674,504 0.963,505 1.14,506 1.118,507 0.922,508 0.908,509 0.877,510 0.931,511 0.917,512 0.963,513 0.809,514 0.776,515 0.867,516 0.851,517 0.903,518 0.914,519 1.119,520 0.943,521 0.972,522 0.866,523 0.9,524 0.998,525 1.206,526 1.164,527 0.945,528 1.153,529 0.596,530 1.199,531 1.271,532 1.394,533 0.457,534 1.246,535 0.662,536 0.952,537 0.986,538 1.112,539 0.644,540 1.182,541 6,542 0.175,543 2.667,544 1.535,545 1.323,546 0.948,547 0.473,548 0.345,549 0.269,550 0.148,551 12790,552 35298,553 2.186,554 43.4,556 15,557 1,559 3,561 4,564 1.727,565 2.093,566 3.547,567 0.933,568 1,569 1,573 90.935,574 1.716,575 3.97,576 4.801,577 5.049,578 5.049,579 5.049,580 3.099,581 4.507,582 4.87,583 3.751,584 1631.57,585 8.496,586 22666.8,588 1,590 1,591 303.58,592 1.231,593 4.859,594 0.176,595 0.009,596 0.056,597 0.033,598 0.031,599 0.021,600 0.011,601 0.009,602 0.01,603 0.006,604 0.362,605 0.33,606 0.88,607 1.242,608 154.698,609 -0.1,610 -0.151,611 0.058,612 0.019,613 -0.075,614 0.036,615 0.031,616 0.042,617 -0.014,618 0.008,619 0.04,620 -0.029,621 -0.093,622 -0.118,623 0.009,624 0.021,625 -0.054,626 0.019,627 -0.094,628 0.057,629 0.08,630 0.12,631 -0.024,632 0.107,633 0.027,634 0.153,635 -0.031,636 0.125,637 0.107,638 0.113,639 -0.119,640 0.108,641 -0.172,642 -0.06,643 -0.166,644 -0.163,645 0.037,646 -0.181,647 -0.178,648 -0.251,649 0.029,650 -0.195,651 0.139,652 -0.039,653 -0.066,654 -0.149,655 0.103,656 -0.159,657 2.017,658 4.748,659 0.767,660 32.973,661 1.01,662 1.128,663 2.163,664 4.677,665 0.677,666 3.555,667 3.892,668 4.19,669 4.511,670 4.754,671 4.927,672 5.13,673 5.288,674 5.425,675 5.572,676 7.171,677 0.645,678 425.56,679 3.555,680 5.106,681 5.969,682 6.86,683 7.742,684 8.641,685 9.534,686 10.437,687 11.336,688 12.243,689 9.4,695 1,696 2,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,731 53,733 17,734 1,735 34,737 57,738 21,739 12,740 2,741 4,746 5,747 7,751 1,752 1,755 4,758 4,761 13,762 8,766 1,771 1,775 1,778 1,781 23,782 8,783 3,784 9,785 1,790 5,794 0.6,795 3,796 1,801 1,806 1,811 2,812 3,813 1,815 1,838 1,839 1,840 3,842 1,848 30,853 1,854 6,855 2,856 1,858 2,859 1,865 1,870 5.7,871 1,873 1,874 1,877 14.333,878 9.217,879 6.528,880 3.217,881 3.182,882 1.388,883 0.998,884 5.653,885 11.384,886 3.784,887 4.366,888 4.955,889 5.58,890 6.122,891 6.543,892 7.051,893 7.511,894 7.826,895 8.241,896 1,897 46,898 11.122,900 4.845,901 7.722,902 21.482,904 18.324,905 2.222,906 66.667,909 1,910 235.422,911 115.458,912 72.717,914 78.828,916 31.278,917 84.18,918 314.25,919 72.717,921 47.408,922 97.714,923 69.716,924 13.539,925 19.121,926 254.929,928 235.422,929 156.897,930 78.828,931 31.278,933 190.666,934 72.229,935 53.683,937 49.552,938 71.446,939 33.571,940 31.278,941 235.422,942 151.545,943 115.458,946 235.422,947 60.428,948 58.155,949 36.022,950 112.399,951 235.422,952 151.545,953 115.458,955 0.578,956 0.334,957 0.187,958 0.101,959 25,960 10,961 0.088,962 5,963 3,964 1.217,965 4.249,966 277.608,967 0.261,968 22,969 137.207,970 1,974 19.823,975 8.555,976 4.216,977 2.059,978 151.545,979 11.544,980 9.697,983 1.67,984 3.208,986 78.705,987 502.425,988 43,993 11.748,997 -0.35,999 53.52,1000 59.777,1001 0.3,1002 0.693,1003 0.838,1004 0.881,1005 0.881,1006 0.881,1007 5.037,1008 1.514,1009 5.948,1010 5.52,1011 4.575,1012 5.053,1013 2.109,1014 6.763,1015 4.452,1016 6.221,1017 1.444,1018 7.499,1019 4.427,1020 4.111,1021 4.832,1022 1.305,1023 7.618,1024 3.942,1025 7.52,1026 1.345,1027 9.147,1028 4.201,1029 6.168,1030 7.227,1031 2.545,1032 10.741,1033 5.927,1034 8.853,1035 1.049,1036 10.852,1037 2.515,1038 6.538,1039 7.89,1040 2.354,1041 12.442,1042 6.232,1043 10.221,1044 1,1045 12.596,1046 2.395,1047 8.034,1048 9.752,1049 3.285,1050 15.069,1051 7.67,1052 11.614,1053 0.72,1054 14.366,1055 2.275,1056 8.798,1057 10.841,1058 3.414,1059 17.143,1060 8.357,1061 13.027,1062 0.541,1063 16.156,1064 1.776,1065 10.068,1066 12.489,1067 4.168,1068 19.603,1069 9.569,1070 3.209,1071 0.261,1072 17.962,1073 1.482,1074 11.024,1075 13.79,1076 4.466,1077 21.848,1078 10.443,1079 2.861,1080 11.052,1081 19.781,1082 0.452,1083 12.203,1084 15.348,1085 5.115,1086 24.254,1087 11.56,1088 2.74,1089 8.994,1090 21.612,1091 4.53,1092 13.252,1093 16.755,1094 5.504,1095 26.578,1096 12.528,1097 2.518,1098 8.458,1099 23.451,1100 3.773,1101 14.399,1102 18.277,1103 6.092,1104 28.97,1105 13.608,1106 2.29,1107 7.343,1108 25.298,1109 3.2,1110 15.495,1111 19.734,1112 6.531,1113 31.331,1114 14.624,1115 2.09,1116 7.159,1117 27.153,1118 3.09,1119 16.634,1120 21.244,1121 7.084,1122 33.722,1123 15.691,1124 1.879,1125 5.638,1126 29.013,1127 2.717,1128 17.754,1129 22.726,1130 7.551,1131 36.102,1132 16.732,1133 11914,1134 19888,1135 23.463,1136 35.892,1137 51.146,1138 52.556,1139 51.836,1140 50.814,1141 50.925,1142 64.012,1143 7.126,1144 147.377,1145 47.733,1146 5.605,1147 5.546,1148 6.604,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 10.794,1156 1.504,1157 1.546,1158 1.525,1159 1.495,1160 1.498,1161 1.883,1162 0.21,1163 4.335,1164 1.404,1165 4.096,1166 4.124,1167 4.318,1168 4.052,1169 7.431,1170 4.017,1171 3.902,1172 3.94,1173 3.879,1174 3.827,1175 6.456,1176 3.812,1177 3.858,1178 3.886,1179 3.805,1180 3.736,1181 5.055,1182 3.735,1183 3.629,1184 3.689,1185 3.546,1186 3.379,1187 4.704,1188 3.402,1189 3.34,1190 3.392,1191 3.367,1192 3.176,1193 4.661,1194 3.177,1195 3.267,1196 3.331,1197 3.157,1198 3.026,1199 4.304,1200 3.046,1201 3.099,1202 3.176,1203 3.055,1204 2.951,1205 4.092,1206 2.926,1207 3.093,1208 3.157,1209 2.89,1210 2.866,1211 3.971,1212 2.89,1213 0.135,1214 0.104,1215 0.198,1216 0.122,1217 0.094,1218 4.605,1219 0.133,1220 3.546,1221 0.049,1222 6.74,1223 0.325,1224 4.138,1225 0.088,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.946,1232 1.918,1233 2.023,1234 2.063,1235 1.255,1236 2.051,1237 1.776,1238 1.743,1239 1.887,1240 1.945,1241 1.219,1242 1.933,1243 1.604,1244 1.543,1245 1.86,1246 1.829,1247 1.107,1248 1.817,1249 1.584,1250 1.539,1251 1.79,1252 1.76,1253 1.001,1254 1.798,1255 1.536,1256 1.472,1257 1.708,1258 1.748,1259 0.863,1260 1.741,1261 1.377,1262 1.372,1263 1.399,1264 1.48,1265 0.621,1266 1.492,1267 1.164,1268 1.122,1269 1.307,1270 1.42,1271 0.496,1272 1.43,1273 0.886,1274 0.84,1275 1.215,1276 1.095,1277 0.331,1278 1.114,1279 4.234,1281 5.565,1282 3.045,1283 7.083,1284 5.352,1285 8.692,1286 7.391,1287 10.356,1294 8.786,1295 4.087,1296 5.299,1297 5.992,1299 0.582,1300 2.345,1305 34.18,1306 90.935,1307 210.403,1308 254.46,1309 267.58,1310 267.58,1311 267.58,1312 45.182,1313 8.202,1314 99.61,1315 127.85,1316 28,1317 12.762,1318 4.17,1319 3.322,1320 41.716,1321 126,1322 168,1323 0.159,1324 208.915,1325 356.12,1326 501.512,1327 43722,1329 20.501,1330 0.683,1331 0.573,1332 20.855,1333 17.192,1334 14.691,1335 0.432,1336 0.323,1337 10.026,1338 13.596,1339 9.816,1340 8.007,1341 15.145,1342 10.992,1343 13.291,1344 0.277,1345 0.176,1346 13.847,1347 8.466,1348 11.32,1349 0.174,1350 0.097,1351 12.009,1352 6.327,1353 9.902,1354 0.11,1355 0.054,1356 10.686,1357 4.874,1358 7.994,1359 0.07,1360 0.028,1361 8.578,1362 3.248,1363 0.252,1364 97.042,1365 0.206,1366 28.454,1367 0.431,1368 164,1369 478.082,1370 204.717,1371 474.685,1372 653.14,1373 448,1374 195,1375 466.4,1376 234.179,1377 480.547,1378 713.31,1379 455,1380 6.489}
{0 CHEMBL593186,1 1.607,2 8.808,3 4.163,4 17.326,5 101.715,6 8.238,7 0.645,8 3.939,9 4.042,10 3.664,11 3.571,12 4.942,13 3.535,14 4.519,15 4.664,16 4.084,17 4.018,18 5.497,19 3.966,20 4.769,21 4.972,22 4.056,23 4.071,24 5.668,25 3.986,26 4.698,27 4.939,28 3.919,29 4,30 5.56,31 3.889,32 4.565,33 4.775,34 3.928,35 3.968,36 5.462,37 3.858,38 4.532,39 4.695,40 4.029,41 4.016,42 5.507,43 3.914,44 4.584,45 4.773,46 3.836,47 3.985,48 5.483,49 3.853,50 4.514,51 4.744,52 3.547,53 3.805,54 5.321,55 3.644,56 0.01,57 0.681,58 8.288,59 4.024,60 6.059,61 4.822,62 0.154,63 1.207,64 17.905,65 7.448,66 15.441,67 8.728,68 0.347,69 1.492,70 27.378,71 9.571,72 27.443,73 11.95,74 0.236,75 1.425,76 24.836,77 9.039,78 25.577,79 11.848,80 0.206,81 1.252,82 24.927,83 9.036,84 20.437,85 10.92,86 0.204,87 1.25,88 21.114,89 8.118,90 21.344,91 9.291,92 0.178,93 1.24,94 25.614,95 9.729,96 21.756,97 11.419,98 0.166,99 1.095,100 21.271,101 8.665,102 20.809,103 11.116,105 46,106 0.273,107 0.648,108 0.783,109 0.828,110 0.835,111 0.835,112 3.306,113 0.962,114 -4.37,115 -4.3,116 -4.06,119 45.5,121 2,125 2,127 2,142 5,143 2,146 1,147 1,149 1,151 2,152 2,172 6,174 2,175 5,180 3,183 6,186 1,187 9,192 2,195 4,198 1,199 7,204 1,207 2,211 1,212 6,220 3,224 3,227 2,232 6,236 1,237 5,245 7,250 2,253 1,255 1,258 5,263 2,268 1,271 4,275 896,276 18.29,277 18.29,278 18.29,279 18.29,280 18.29,281 16.111,282 12.611,283 10.543,284 18.862,285 15.385,286 15.385,287 15.385,288 15.385,289 15.385,290 12.037,291 19.109,292 5.078,293 16.372,294 3.852,295 1.647,296 0.855,297 0.591,298 0.545,299 0.545,300 4.037,304 1,305 1,306 540,307 2.236,310 153.506,311 167.293,312 67.787,314 176.073,318 1.299,319 16.311,321 1,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 55,331 229,332 4.613,333 3.378,334 6.741,335 4.145,336 3.213,337 4.54,338 0.86,339 11.056,340 3.009,341 4.427,342 3.1,343 6.274,344 3.943,345 2.968,346 4.362,347 0.8,348 9.518,349 2.874,350 3.946,351 2.951,352 5.991,353 3.751,354 2.817,355 3.465,357 8.651,358 2.622,359 3.899,360 2.594,361 5.893,362 3.5,363 2.542,364 3.095,366 8.323,367 2.432,368 3.525,369 2.485,370 5.497,371 3.215,372 2.29,373 2.694,375 7.16,376 2.115,377 3.052,378 2.093,379 4.879,380 2.839,381 1.879,382 2.328,384 5.638,385 1.794,386 3.033,387 1.583,388 4.589,389 2.526,390 1.552,391 2.299,393 4.532,394 1.519,395 2.879,396 1.55,397 4.483,398 2.47,399 1.533,400 1.879,402 4.348,403 1.424,404 2.711,405 1.533,406 4.32,407 2.367,408 1.445,409 1.758,411 4.087,412 1.321,413 2.594,414 1.119,415 3.591,416 2.035,417 1.116,418 1.633,420 2.506,421 1.019,422 2.5,423 1,424 3.428,425 1.917,426 1,427 1.5,428 2.31,429 0.895,430 2.014,431 0.964,432 3.408,433 1.651,434 0.719,435 0.838,436 1.774,437 0.662,438 1.876,439 0.62,440 3.267,441 1.456,442 0.551,443 0.672,445 1.49,446 0.489,447 1.687,448 0.391,449 3.03,450 1.325,451 0.384,452 0.564,454 0.965,455 0.361,456 0.974,457 -0.075,458 2.774,459 0.602,460 -0.347,461 -0.347,463 -1.042,464 -0.327,465 12.767,466 0.491,467 0.598,468 0.023,469 34.75,470 1.337,471 16.5,472 0.635,473 18.25,474 0.702,475 21.793,476 0.838,477 26.233,478 0.596,479 21.832,480 0.84,481 6.235,482 0.24,483 6.596,484 0.254,487 0.384,493 0.892,494 1.192,495 0.684,496 0.884,497 0.82,498 0.823,499 1.222,500 1.051,501 0.886,502 0.924,503 0.921,504 0.889,505 1.369,506 1.16,507 0.927,508 0.963,509 1.141,510 0.976,511 0.905,512 0.915,513 0.81,514 0.768,515 1.002,516 0.871,517 0.802,518 0.979,519 1.111,520 1.002,521 0.9,522 0.865,523 1.02,524 0.998,525 1.217,526 1.135,527 1.269,528 1.074,529 0.876,530 1.101,531 1.416,532 1.347,533 0.995,534 1.187,535 0.853,536 0.956,537 1.006,538 1.067,539 0.97,540 1.17,541 5,542 0.063,543 2.667,544 1.292,545 1.189,546 0.75,547 0.381,548 0.306,549 0.195,550 0.071,551 8686,552 19910,553 2.338,554 40.9,556 11,557 2,559 1,561 4,564 1.695,565 2.294,566 3.155,567 -0.332,569 1,573 70.718,574 1.607,575 3.812,576 4.605,577 4.869,578 4.914,579 4.914,580 2.519,581 4.47,582 4.676,583 3.3,584 1072.65,585 8.122,586 12824.6,588 1,590 1,591 240.215,592 0.961,593 4.671,594 0.161,595 0.006,596 0.058,597 0.031,598 0.032,599 0.02,600 0.01,601 0.009,602 0.008,603 0.004,604 0.339,605 0.33,606 0.88,608 124.337,609 -0.03,610 -0.135,611 0.084,612 0.005,613 -0.012,614 0.034,615 -0.044,617 -0.01,618 -0.005,619 0.07,620 -0.012,621 -0.083,622 -0.177,623 -0.011,624 -0.043,625 -0.008,626 -0.041,627 -0.063,628 0.104,629 0.075,630 0.124,631 -0.02,632 0.088,633 0.035,634 0.052,635 0.018,636 0.069,637 0.07,638 0.124,639 -0.066,640 0.09,641 -0.136,642 -0.094,643 -0.211,644 -0.156,645 -0.009,646 -0.106,647 -0.26,648 -0.235,649 -0.063,650 -0.191,651 -0.022,652 -0.053,653 -0.089,654 -0.102,655 -0.096,656 -0.154,657 0.988,658 2.512,659 1,660 19,661 1,662 1.114,663 3.139,664 9.854,665 0.715,666 3.466,667 3.85,668 4.205,669 4.554,670 4.787,671 4.984,672 5.193,673 5.371,674 5.509,675 5.677,676 5.526,677 0.674,678 362.49,679 3.466,680 5.043,681 5.938,682 6.849,683 7.754,684 8.668,685 9.577,686 10.493,687 11.404,688 12.32,689 9.1,695 1,697 1,699 2,703 4,704 7,705 2,706 1,708 1,709 3,711 20,726 1,731 44,733 20,734 1,735 31,737 49,738 20,739 14,740 3,741 3,746 6,747 9,755 4,758 4,761 14,762 6,778 1,781 18,782 4,783 1,784 6,785 1,790 4,794 0.5,795 1,801 1,806 1,807 1,811 3,812 3,813 1,815 2,839 1,840 3,842 1,848 26,854 4,856 1,858 2,859 1,865 1,870 2.3,874 1,877 11.333,878 7.933,879 5.389,880 2.804,881 3.973,882 1.48,883 1.102,884 3.352,885 12.253,886 3.738,887 4.413,888 5.097,889 5.766,890 6.298,891 6.775,892 7.308,893 7.814,894 8.159,895 8.665,896 0.833,897 42,898 9.645,900 4.333,901 7.429,902 19.137,904 17.13,905 1.929,906 50.167,909 1,910 200.109,911 120.084,912 53.481,914 11,916 31.278,917 88.807,918 211.109,919 53.481,921 9.28,922 64.078,923 44.571,924 30.14,925 28.76,926 207.844,928 200.109,929 142.288,930 11,931 31.278,933 155.352,934 47.084,935 11,937 28.21,938 78.178,939 33.571,940 31.278,941 200.109,942 64.481,943 120.084,946 200.109,947 56.007,948 67.202,949 16.786,950 44.571,951 200.109,952 64.481,953 120.084,955 0.595,956 0.357,957 0.205,958 0.105,959 28,960 10,961 0.041,962 2,963 4,964 1.269,965 3.908,966 248.847,967 0.308,968 25,969 114.211,970 1,974 15.12,975 5.763,976 2.488,977 4.526,978 47.695,979 14.607,980 9.851,981 3.242,983 1.726,984 2.921,986 16.786,987 384.674,988 41,999 43.996,1000 49.029,1001 0.294,1002 0.698,1003 0.843,1004 0.892,1005 0.9,1006 0.9,1007 5.004,1008 1.533,1009 5.932,1010 4.532,1011 4.533,1012 5.1,1013 1.235,1014 6.786,1015 4.414,1016 6.22,1017 1.445,1018 7.507,1019 4.348,1020 4.111,1021 4.945,1022 0.325,1023 7.695,1024 3.945,1025 7.542,1026 1.116,1027 9.177,1028 4.087,1029 6.168,1030 7.388,1031 0.938,1032 10.83,1033 5.943,1034 8.901,1035 1,1036 10.903,1037 2.506,1038 6.594,1039 8.14,1040 0.268,1041 12.567,1042 6.311,1043 10.296,1044 0.719,1045 12.666,1046 2.31,1047 8.082,1048 10.014,1049 0.732,1050 15.194,1051 7.75,1052 11.715,1053 0.551,1054 14.453,1055 1.774,1056 8.891,1057 11.175,1058 0.188,1059 17.28,1060 8.495,1061 13.152,1062 0.384,1063 16.259,1064 1.49,1065 10.157,1066 12.825,1067 0.57,1068 19.735,1069 9.713,1070 3.213,1071 -0.347,1072 18.077,1073 0.965,1074 11.141,1075 14.172,1076 0.125,1077 21.977,1078 10.633,1079 2.968,1080 11.056,1081 19.906,1082 -1.042,1083 12.32,1084 15.731,1085 0.438,1086 24.375,1087 11.761,1088 2.817,1089 9.518,1090 21.744,1091 4.54,1092 13.385,1093 17.161,1094 0.082,1095 26.691,1096 12.763,1097 2.542,1098 8.651,1099 23.589,1100 4.362,1101 14.533,1102 18.683,1103 0.334,1104 29.073,1105 13.856,1106 2.29,1107 8.323,1108 25.44,1109 3.465,1110 15.636,1111 20.15,1112 0.054,1113 31.426,1114 14.897,1115 1.879,1116 7.16,1117 27.296,1118 3.095,1119 16.775,1120 21.657,1121 0.252,1122 33.807,1123 15.978,1124 1.552,1125 5.638,1126 29.157,1127 2.694,1128 17.898,1129 23.142,1130 0.035,1131 36.179,1132 17.038,1133 7599,1134 11651,1135 22.076,1136 31.455,1137 48.481,1138 48.084,1139 47.683,1140 47.996,1141 48.021,1142 63.257,1143 3.32,1144 144.715,1145 45.075,1146 5.613,1147 5.378,1148 6.25,1149 5.257,1150 5.213,1151 7.54,1152 1.72,1153 18.312,1154 5.009,1156 1.564,1157 1.551,1158 1.538,1159 1.548,1160 1.549,1161 2.041,1162 0.107,1163 4.668,1164 1.454,1165 4.149,1166 4.181,1167 4.32,1168 4.083,1169 5.078,1170 4.072,1171 4.023,1172 4.053,1173 4.061,1174 3.976,1175 4.926,1176 3.945,1177 3.877,1178 3.911,1179 3.811,1180 3.735,1181 4.663,1182 3.735,1183 3.463,1184 3.504,1185 3.512,1186 3.365,1187 4.378,1188 3.36,1189 3.274,1190 3.35,1191 3.189,1192 3.092,1193 4.156,1194 3.097,1195 3.093,1196 3.176,1197 3.02,1198 2.951,1199 3.937,1200 2.926,1201 3.054,1202 3.119,1203 2.89,1204 2.913,1205 3.742,1206 2.904,1207 2.893,1208 2.965,1209 2.801,1210 2.728,1211 3.52,1212 2.725,1213 0.149,1214 0.109,1215 0.217,1216 0.134,1217 0.104,1218 4.613,1219 0.146,1220 3.378,1221 0.028,1222 6.741,1223 0.357,1224 4.145,1225 0.097,1226 3.213,1227 4.54,1228 0.86,1229 11.056,1230 3.009,1231 1.972,1232 1.948,1233 2.037,1234 2.071,1235 1.255,1236 2.061,1237 1.788,1238 1.757,1239 1.889,1240 1.945,1241 1.222,1242 1.936,1243 1.604,1244 1.543,1245 1.86,1246 1.773,1247 1.164,1248 1.798,1249 1.582,1250 1.539,1251 1.711,1252 1.76,1253 0.872,1254 1.756,1255 1.483,1256 1.421,1257 1.658,1258 1.685,1259 0.658,1260 1.684,1261 1.378,1262 1.372,1263 1.391,1264 1.429,1265 0.621,1266 1.488,1267 1.059,1268 1.031,1269 1.215,1270 1.174,1271 0.496,1272 1.188,1273 0.795,1274 0.73,1275 1.173,1276 1.051,1277 0.332,1278 1.114,1279 4.143,1281 5.509,1282 3.434,1283 7.062,1284 5.733,1285 8.703,1286 7.758,1287 10.394,1295 4.182,1297 6.012,1299 0.691,1300 2.407,1305 29.675,1306 70.718,1307 167.735,1308 202.605,1309 214.215,1310 216.215,1311 216.215,1312 28.014,1313 8.28,1314 54.04,1315 82.28,1316 33,1317 12.832,1318 4.392,1319 3.459,1320 30.866,1321 87,1322 77,1323 0.175,1324 177.142,1325 286.98,1326 423.987,1327 47051,1329 17.087,1330 0.657,1331 0.577,1332 17.441,1333 14.999,1334 12.832,1335 0.414,1336 0.321,1337 9.034,1338 11.959,1339 8.815,1340 7.169,1341 13.286,1342 9.945,1343 12.051,1344 0.262,1345 0.175,1346 12.608,1347 8.064,1348 10.973,1349 0.166,1350 0.096,1351 11.661,1352 6.34,1353 9.934,1354 0.106,1355 0.053,1356 10.718,1357 5.019,1358 7.855,1359 0.066,1360 0.028,1361 8.438,1362 3.314,1363 0.267,1364 84.193,1365 0.213,1366 24.568,1367 0.506,1368 154,1369 379.864,1370 188.844,1371 390.565,1372 560.27,1373 372,1374 189,1375 421.277,1376 223.967,1377 438.839,1378 657.7,1379 417,1380 5.065}
{0 CHEMBL593283,1 1.722,2 8.625,3 1.403,4 1.969,5 83.465,6 8.343,7 0.571,8 3.85,9 3.95,10 3.529,11 3.302,12 4.953,13 3.35,14 4.416,15 4.564,16 3.907,17 3.698,18 5.53,19 3.736,20 4.525,21 4.714,22 3.866,23 3.775,24 5.563,25 3.764,26 4.492,27 4.693,28 3.791,29 3.741,30 5.499,31 3.715,32 4.49,33 4.709,34 3.761,35 3.714,36 5.496,37 3.685,38 4.448,39 4.634,40 3.761,41 3.697,42 5.51,43 3.678,44 4.466,45 4.686,46 3.578,47 3.61,48 5.453,49 3.55,50 4.318,51 4.551,52 3.341,53 3.381,54 5.217,55 3.302,56 0.121,57 0.637,58 6.677,59 3.133,60 5.496,61 3.618,62 0.581,63 1.015,64 15.367,65 5.224,66 26.63,67 5.952,68 0.51,69 1.129,70 18.031,71 6.221,72 25.937,73 8.021,74 0.423,75 1.114,76 17.241,77 5.953,78 24.212,79 7.951,80 0.5,81 1.082,82 18.213,83 5.649,84 29.355,85 7.999,86 0.445,87 1.063,88 15.478,89 5.166,90 24.56,91 6.875,92 0.525,93 0.963,94 18.082,95 5.886,96 29.264,97 8.082,98 0.45,99 0.733,100 17.38,101 6.045,102 25.05,103 8.3,105 40,106 0.304,107 0.666,108 0.793,109 0.823,110 0.832,111 0.832,112 3.23,113 0.838,114 -3.79,115 -3.75,116 -3.57,119 41,125 4,126 1,142 3,143 1,144 2,146 1,147 1,149 1,160 1,161 1,172 3,174 3,175 4,178 2,183 2,186 4,187 8,195 1,198 1,199 5,202 2,204 1,211 3,212 3,217 2,223 3,224 3,229 1,236 2,237 2,240 2,249 2,250 2,253 1,262 1,263 1,275 736,276 16.947,277 16.947,278 16.947,279 16.947,280 16.947,281 15.181,282 17.056,283 10.023,284 17.588,285 13.885,286 13.885,287 13.885,288 13.885,289 13.885,290 11.077,291 22.702,292 4.79,293 14.915,294 3.563,295 1.506,296 0.789,297 0.615,298 0.564,299 0.564,300 3.949,303 1,304 1,305 1,306 476,307 2,310 95.567,311 163.238,314 163.964,318 1.24,319 22.562,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 53.5,331 207,332 4.607,333 3.334,334 6.732,335 4.139,336 3.198,337 4.531,338 1.392,339 11.016,340 3.011,341 4.312,342 3.279,343 6.272,344 3.91,345 2.956,346 3.972,347 0.86,348 9.507,349 2.815,350 3.875,351 2.791,352 5.974,353 3.524,354 2.584,355 3.316,356 0.8,357 8.479,358 2.428,359 3.737,360 2.598,361 5.763,362 3.407,363 2.48,364 3.04,365 0.532,366 7.795,367 2.286,368 3.015,369 2.233,370 4.681,371 2.695,372 1.792,373 2.237,375 4.79,376 1.613,377 3.006,378 1.992,379 4.504,380 2.501,381 1.552,382 2.096,384 4.498,385 1.469,386 2.884,387 1.842,388 4.325,389 2.468,390 1.533,391 2.021,393 4.104,394 1.424,395 2.555,396 1.555,397 3.722,398 2.124,399 1.243,400 1.58,402 2.935,403 1.098,404 2.38,405 1.44,406 3.466,407 2.06,408 1.109,409 1.366,411 2.473,412 1.043,413 2.181,414 1.256,415 3.428,416 1.952,417 1,418 1.154,420 2.309,421 0.946,422 2,423 1.055,424 3.331,425 1.947,426 1,427 1,428 2.136,429 0.943,430 1.938,431 0.761,432 3.247,433 1.469,434 0.561,435 0.753,436 1.507,437 0.508,438 1.63,439 0.587,440 3.028,441 1.308,442 0.384,443 0.466,445 0.963,446 0.352,447 0.955,448 -0.291,449 2.709,450 0.513,451 -0.408,452 -0.512,454 -1.111,455 -0.374,456 0.743,457 -0.36,458 2.595,459 0.373,460 -0.585,461 -0.717,463 -1.561,464 -0.558,465 11,466 0.458,467 0.462,468 0.019,469 33.75,470 1.406,471 15.5,472 0.646,473 18.25,474 0.76,475 16.563,476 0.69,477 25.6,478 0.656,479 22.465,480 0.936,481 6.693,482 0.279,483 5.189,484 0.216,487 0.355,493 0.94,494 1.567,495 0.651,496 1.23,497 0.817,498 0.93,499 1.284,500 0.917,501 0.911,502 0.783,503 1.093,504 0.763,505 0.938,506 1.068,507 0.924,508 0.957,509 0.839,510 0.944,511 0.809,512 1.137,513 0.958,514 1.044,515 0.973,516 1.029,517 0.711,518 1.009,519 0.9,520 0.865,521 0.886,522 0.893,523 0.833,524 1.201,525 1.108,526 1.135,527 0.941,528 1.152,529 0.773,530 0.914,531 1.107,532 1.092,533 0.971,534 1.148,535 0.76,536 0.94,537 0.88,538 1.148,539 0.756,540 1.086,541 3.5,542 0.019,543 2.667,544 1.069,545 1.154,546 0.75,547 0.37,548 0.207,549 0.181,550 0.051,551 6684,552 18637,553 2.289,554 38.5,556 11,557 2,558 1,559 1,564 1.674,565 2.25,566 3.12,567 -0.219,568 1,569 1,571 1,573 67.163,574 1.722,575 3.78,576 4.497,577 4.67,578 4.721,579 4.721,580 2.507,581 4.054,582 4.559,583 3.234,584 892.622,585 7.89,586 10099.1,587 1,588 1,590 1,591 206.131,592 0.918,593 4.557,594 0.125,595 0.003,596 0.067,597 0.028,598 0.033,599 0.022,600 0.011,601 0.008,602 0.009,603 0.004,604 0.31,605 0.5,606 0.88,608 111.639,609 -0.106,610 -0.399,611 0.085,612 -0.212,613 -0.044,614 -0.048,615 -0.107,616 0.16,617 -0.016,618 0.166,619 -0.042,620 0.105,621 -0.057,622 -0.029,623 -0.008,624 0.013,625 0.057,626 0.006,627 -0.063,628 -0.079,629 -0.053,630 -0.081,631 -0.1,632 -0.071,633 0.026,634 0.037,635 0.039,636 0.083,637 -0.002,638 0.076,639 -0.045,640 -0.093,641 -0.236,642 -0.204,643 -0.083,644 -0.245,645 0.071,646 0.074,647 -0.135,648 -0.13,649 -0.068,650 -0.162,651 0.195,652 -0.115,653 0.186,654 -0.108,655 0.171,656 0.003,657 1.252,658 1.955,659 1,660 16.861,661 1.023,662 1.133,663 2.563,664 6.567,665 0.672,666 3.367,667 3.714,668 4.06,669 4.382,670 4.615,671 4.762,672 4.97,673 5.13,674 5.198,675 5.328,676 5.267,677 0.664,678 325.36,679 3.367,680 4.92,681 5.802,682 6.698,683 7.595,684 8.498,685 9.401,686 10.306,687 11.212,688 12.119,689 12.8,695 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,726 1,729 2,731 39,733 16,734 1,735 28,737 43,738 16,739 11,740 3,741 3,746 5,747 7,761 11,762 5,777 1,778 1,781 15,782 7,783 1,784 8,787 1,790 5,794 0.6,795 3,806 1,811 2,812 3,815 2,839 1,840 3,848 24,854 5,856 3,859 1,870 7.7,874 1,875 2,877 10.667,878 7.133,879 5.139,880 2.324,881 3.184,882 1.411,883 1.049,884 3.365,885 10.929,886 3.611,887 4.245,888 4.912,889 5.559,890 6.114,891 6.547,892 7.048,893 7.504,894 7.816,895 8.231,896 0.833,897 38,898 8.848,900 3.863,901 7.632,902 17.008,904 14.282,905 2.132,906 51.167,910 164.795,911 79.281,912 70.266,914 33,917 79.281,918 197.795,919 70.266,921 20.046,922 28.429,923 83.461,924 60.054,925 25.87,926 129.482,928 164.795,929 149.548,930 33,933 167.123,934 22,935 11,937 49.31,938 47.553,939 50.357,941 164.795,942 103.266,943 79.281,946 164.795,947 42.234,948 40.172,949 16.786,950 83.356,951 164.795,952 103.266,953 79.281,955 0.582,956 0.352,957 0.202,958 0.106,959 23,960 8,961 0.047,962 2,963 2,964 1.167,965 3.708,966 214.551,967 0.167,968 24,969 106.039,974 14.162,975 5.703,976 2.452,977 1.501,978 86.481,979 7.371,980 13.755,981 3.085,984 3.803,986 16.786,987 347.343,988 36,999 39.909,1000 44.196,1001 0.326,1002 0.715,1003 0.851,1004 0.884,1005 0.893,1006 0.893,1007 4.86,1008 1.243,1009 5.778,1010 4.104,1011 4.394,1012 4.931,1013 2.064,1014 6.616,1015 4.261,1016 6.057,1017 1.109,1018 7.343,1019 2.935,1020 3.892,1021 4.745,1022 0.325,1023 7.535,1024 3.712,1025 7.371,1026 1,1027 9.011,1028 2.473,1029 6.004,1030 7.186,1031 2.324,1032 10.678,1033 5.753,1034 8.727,1035 1,1036 10.742,1037 2.309,1038 6.399,1039 7.91,1040 0.268,1041 12.452,1042 6.1,1043 10.121,1044 0.561,1045 12.513,1046 2.136,1047 7.915,1048 9.781,1049 2.812,1050 15.08,1051 7.556,1052 11.541,1053 0.384,1054 14.311,1055 1.507,1056 8.712,1057 10.911,1058 0.188,1059 17.19,1060 8.3,1061 12.979,1062 -0.408,1063 16.127,1064 0.963,1065 9.993,1066 12.557,1067 3.398,1068 19.647,1069 9.525,1070 3.198,1071 -0.585,1072 17.957,1073 -1.111,1074 10.974,1075 13.878,1076 0.125,1077 21.902,1078 10.449,1079 2.956,1080 11.016,1081 19.797,1082 -1.561,1083 12.161,1084 15.432,1085 4.025,1086 24.302,1087 11.582,1088 2.584,1089 9.507,1090 21.644,1091 4.531,1092 13.226,1093 16.843,1094 0.082,1095 26.623,1096 12.589,1097 2.48,1098 8.479,1099 23.497,1100 3.972,1101 14.379,1102 18.361,1103 4.671,1104 29.007,1105 13.686,1106 1.792,1107 7.795,1108 25.355,1109 3.316,1110 15.483,1111 19.817,1112 0.054,1113 31.361,1114 14.732,1115 1.552,1116 4.79,1117 27.218,1118 3.04,1119 16.626,1120 21.321,1121 5.325,1122 33.743,1123 15.818,1124 1.533,1125 4.498,1126 29.085,1127 2.237,1128 17.75,1129 22.8,1130 0.035,1131 36.114,1132 16.883,1133 6019,1134 10190,1135 19.879,1136 26.199,1137 42.813,1138 43.539,1139 42.66,1140 42.773,1141 42.781,1142 55.066,1143 7.166,1144 125.021,1145 39.877,1146 5.607,1147 5.334,1148 6.534,1149 5.243,1150 5.198,1151 7.531,1152 2.783,1153 18.226,1154 5.011,1156 1.529,1157 1.555,1158 1.524,1159 1.528,1160 1.528,1161 1.967,1162 0.256,1163 4.465,1164 1.424,1165 4.106,1166 4.156,1167 4.084,1168 3.945,1169 5.183,1170 3.972,1171 3.91,1172 3.925,1173 3.87,1174 3.775,1175 4.99,1176 3.797,1177 3.728,1178 3.789,1179 3.612,1180 3.496,1181 4.63,1182 3.515,1183 3.378,1184 3.414,1185 3.319,1186 3.129,1187 4.55,1188 3.172,1189 3.144,1190 3.206,1191 3.044,1192 2.941,1193 4.215,1194 2.916,1195 3.111,1196 3.203,1197 2.866,1198 2.887,1199 4.033,1200 2.91,1201 2.914,1202 2.973,1203 2.826,1204 2.728,1205 3.954,1206 2.738,1207 2.776,1208 2.84,1209 2.657,1210 2.554,1211 3.595,1212 2.572,1213 0.165,1214 0.119,1215 0.24,1216 0.148,1217 0.114,1218 4.607,1219 0.162,1220 3.334,1221 0.05,1222 6.732,1223 0.393,1224 4.139,1225 0.108,1226 3.198,1227 4.531,1228 1.392,1229 11.016,1230 3.011,1231 1.923,1232 1.897,1233 1.99,1234 2.072,1235 1.213,1236 2.046,1237 1.76,1238 1.721,1239 1.914,1240 1.93,1241 1.082,1242 1.927,1243 1.578,1244 1.528,1245 1.69,1246 1.798,1247 0.825,1248 1.774,1249 1.333,1250 1.249,1251 1.513,1252 1.631,1253 0.789,1254 1.597,1255 1.16,1256 1.128,1257 1.49,1258 1.519,1259 0.579,1260 1.485,1261 1.153,1262 1.064,1263 1.438,1264 1.376,1265 0.409,1266 1.429,1267 0.906,1268 0.886,1269 1.098,1270 1.089,1271 0.217,1272 1.076,1273 0.794,1274 0.732,1275 1.055,1276 1.07,1277 0.174,1278 1.045,1279 4.043,1281 5.38,1282 3.045,1283 6.919,1284 5.283,1285 8.55,1286 7.286,1287 10.233,1295 3.21,1297 16.256,1300 2.185,1305 25.885,1306 67.163,1307 147.402,1308 175.376,1309 182.131,1310 184.131,1311 184.131,1312 24.716,1313 7.745,1314 85.39,1315 85.39,1316 28,1317 12.636,1318 4.087,1319 3.17,1320 30.167,1321 76,1322 69,1323 0.197,1324 152.749,1325 253.75,1326 364.468,1327 24052,1329 15.933,1330 0.664,1331 0.536,1332 15.933,1333 12.859,1334 11.882,1335 0.424,1336 0.279,1337 7.623,1338 11.141,1339 7.551,1340 6.139,1341 11.882,1342 7.822,1343 10.672,1344 0.267,1345 0.141,1346 10.672,1347 5.638,1348 9.7,1349 0.17,1350 0.074,1351 9.7,1352 4.202,1353 8.588,1354 0.109,1355 0.038,1356 8.588,1357 2.981,1358 6.865,1359 0.069,1360 0.02,1361 6.865,1362 1.961,1363 0.299,1364 76.409,1365 0.224,1366 22.958,1367 0.571,1368 136,1369 444.12,1370 156.371,1371 411.452,1372 576.79,1373 392,1374 165,1375 435.433,1376 186.956,1377 433.303,1378 648.92,1379 408,1380 5.917}
{0 CHEMBL593514,1 1.716,2 7.1,3 0.739,4 0.546,5 70.212,6 8.222,7 0.652,8 3.675,9 3.786,10 3.342,11 3.113,12 4.796,13 3.159,14 4.221,15 4.385,16 3.686,17 3.497,18 5.307,19 3.527,20 4.336,21 4.547,22 3.616,23 3.531,24 5.345,25 3.51,26 4.273,27 4.492,28 3.611,29 3.505,30 5.31,31 3.485,32 4.271,33 4.484,34 3.565,35 3.522,36 5.264,37 3.5,38 4.288,39 4.479,40 3.521,41 3.506,42 5.327,43 3.47,44 4.275,45 4.511,46 3.193,47 3.32,48 5.244,49 3.224,50 3.986,51 4.269,52 2.4,53 2.812,54 4.745,55 2.636,56 0.093,57 0.55,58 5.848,59 2.481,60 5.432,61 3.076,62 0.399,63 0.857,64 12.823,65 4.08,66 19.676,67 5.018,68 0.437,69 0.921,70 15.737,71 4.773,72 22.973,73 6.685,74 0.383,75 0.897,76 14.39,77 4.408,78 23.128,79 6.474,80 0.335,81 0.879,82 14.236,83 4.352,84 20.155,85 6.217,86 0.397,87 0.868,88 13.604,89 4.335,90 20.173,91 5.951,92 0.436,93 0.703,94 15.956,95 5.049,96 28.149,97 7.08,98 0.361,99 0.404,100 14.666,101 4.394,102 24.466,103 6.148,105 32,106 0.315,107 0.689,108 0.804,109 0.815,110 0.815,111 0.815,112 3.06,113 0.845,114 -2.91,115 -2.92,116 -2.82,119 39.4,125 4,142 1,143 1,146 1,147 1,149 1,151 2,160 1,161 1,172 1,174 2,175 4,178 2,186 4,187 2,198 3,199 1,202 2,204 1,211 1,212 2,217 1,223 2,224 1,227 1,236 2,237 1,240 1,250 1,262 1,275 456,276 14.137,277 14.137,278 14.137,279 14.137,280 14.137,281 12.474,282 10.455,283 8.527,284 14.635,285 11.414,286 11.414,287 11.414,288 11.414,289 11.414,290 8.892,291 14.862,292 4.079,293 12.211,294 3.328,295 1.296,296 0.667,297 0.606,298 0.606,299 0.606,300 3.762,304 1,305 1,306 320,307 1.732,310 82.45,311 95.245,314 68.89,318 0.93,319 17.397,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 44.5,331 142,332 4.603,333 3.304,334 6.731,335 4.132,336 3.192,337 4.529,338 0.86,339 11.011,340 3.001,341 4.103,342 2.829,343 6.102,344 3.712,345 2.74,346 3.706,347 0.8,348 8.909,349 2.666,350 3.738,351 2.641,352 5.765,353 3.419,354 2.5,355 3.05,357 7.806,358 2.292,359 3.285,360 2.233,361 4.683,362 2.766,363 1.823,364 2.655,366 4.795,367 1.723,368 3.015,369 1.8,370 4.534,371 2.682,372 1.765,373 2.101,375 4.687,376 1.606,377 2.635,378 1.555,379 3.751,380 2.14,381 1.256,382 1.695,384 2.974,385 1.108,386 2.404,387 1.256,388 3.472,389 2.038,390 1.124,391 1.382,393 2.508,394 1.02,395 2.299,396 1.146,397 3.383,398 1.952,399 1,400 1.231,402 2.136,403 0.946,404 2.118,405 0.865,406 3.247,407 1.812,408 0.855,409 1,411 2.065,412 0.816,413 2,414 0.618,415 3.174,416 1.618,417 0.618,418 0.927,420 1.372,421 0.618,422 1.909,423 0.551,424 3,425 1.402,426 0.493,427 0.689,428 1.325,429 0.448,430 0.939,431 -0.297,432 2.698,433 0.495,434 -0.421,435 -0.519,436 -1.132,437 -0.384,438 0.626,439 -0.36,440 2.335,441 0.179,442 -0.762,443 -0.954,445 -1.958,446 -0.712,447 0.252,448 -0.714,449 2.171,450 -0.003,451 -0.947,452 -1,454 -2.347,455 -0.846,456 0.048,457 -0.886,458 1.607,459 -0.149,460 -1,461 -1.218,463 -2.516,464 -0.89,465 9.167,466 0.458,467 0.342,468 0.017,469 27.75,470 1.388,471 12.5,472 0.625,473 15.25,474 0.763,475 12.872,476 0.644,477 21.433,478 0.649,479 17.259,480 0.863,481 5.571,482 0.279,483 4.345,484 0.217,487 0.316,493 0.955,494 1.656,495 0.667,496 1.262,497 0.751,498 0.953,499 1.326,500 0.983,501 0.933,502 0.827,503 1.101,504 0.802,505 0.94,506 1.087,507 0.94,508 0.936,509 0.873,510 0.942,511 0.596,512 1.028,513 0.819,514 0.913,515 0.785,516 0.901,517 0.86,518 1.044,519 0.948,520 0.922,521 1.017,522 0.92,523 0.927,524 1.131,525 1.239,526 1.211,527 1.056,528 1.26,529 0.915,530 0.901,531 1.204,532 1.241,533 1.011,534 1.281,535 1.287,536 0.721,537 1.108,538 1.038,539 1.201,540 1.077,541 2.5,543 2,544 0.715,545 0.876,546 0.601,547 0.266,548 0.037,549 0.029,550 0.007,551 3793,552 10760,553 2.259,554 39.4,556 9,557 2,558 1,559 1,564 1.625,565 2.222,566 2.863,567 -0.173,569 1,571 1,573 56.644,574 1.716,575 3.749,576 4.378,577 4.438,578 4.438,579 4.438,580 2.202,581 3.822,582 4.295,583 2.949,584 560.256,585 7.373,586 5588.88,588 1,591 166.465,592 0.881,593 4.295,594 0.109,596 0.063,597 0.025,598 0.03,599 0.021,600 0.011,601 0.002,602 0.005,603 0.003,604 0.269,605 0.67,606 1,608 86.192,609 -0.112,610 -0.465,611 0.083,612 -0.237,613 0.027,614 -0.063,615 -0.194,616 0.108,617 -0.041,618 0.117,619 -0.097,620 0.071,621 -0.033,622 -0.071,623 0.002,624 0.014,625 0.049,626 0.004,627 0.14,628 0.034,629 0.098,630 0.028,631 0.115,632 0.047,633 -0.101,634 0.013,635 -0.042,636 0.036,637 -0.144,638 0.031,639 -0.054,640 -0.05,641 -0.358,642 -0.271,643 -0.178,644 -0.354,645 0.067,646 -0.013,647 -0.188,648 -0.258,649 -0.017,650 -0.27,651 -0.089,652 -0.081,653 0.083,654 0.004,655 -0.08,656 0.059,657 1.031,658 1.889,659 1,660 12.2,661 1.021,662 1.139,663 1.68,664 2.821,665 0.666,666 3.178,667 3.497,668 3.829,669 4.143,670 4.331,671 4.477,672 4.654,673 4.754,674 4.71,675 4.635,676 4.476,677 0.656,678 271.31,679 3.178,680 4.71,681 5.58,682 6.466,683 7.356,684 8.252,685 9.149,686 10.05,687 10.951,688 11.854,689 15.2,695 1,697 1,699 3,703 2,704 4,705 3,706 1,707 1,709 3,711 15,726 1,731 33,733 15,735 23,737 36,738 13,739 9,746 4,747 5,761 9,762 4,777 1,778 1,780 1,781 13,782 6,783 1,784 7,787 1,790 5,794 0.75,795 2,806 1,811 2,812 2,815 1,839 1,840 3,848 20,854 4,856 1,859 1,870 6.1,874 1,875 1,877 9,878 5.967,879 4.361,880 1.956,881 2.767,882 1.398,883 1.037,884 2.903,885 9.722,886 3.45,887 4.069,888 4.736,889 5.392,890 5.844,891 6.328,892 6.812,893 7.23,894 7.389,895 7.599,896 0.8,897 29,898 7.35,900 3.152,901 7.642,902 14.108,904 11.641,905 2.142,906 42.833,907 0.001,910 141.253,911 66.671,912 70.266,914 20.507,917 66.671,918 161.76,919 70.266,921 13.396,922 32.955,923 83.461,924 37.075,925 25.87,926 105.94,928 141.253,929 136.937,930 20.507,933 143.581,934 9.507,935 11,937 42.66,938 41.593,939 50.357,941 141.253,942 90.774,943 66.671,946 141.253,947 25.097,948 44.698,949 16.786,950 70.864,951 141.253,952 90.774,953 66.671,955 0.573,956 0.345,957 0.201,958 0.102,959 18,960 6,961 0.056,962 2,963 1,964 1.1,965 3.32,966 161.962,967 0.1,968 20,969 82.439,974 11.88,975 4.887,976 2.104,977 1.525,978 73.988,979 6.744,980 13.472,981 3.051,982 5.108,984 2.337,986 16.786,987 298.698,988 30.5,999 33.698,1000 37.571,1001 0.34,1002 0.743,1003 0.868,1004 0.88,1005 0.88,1006 0.88,1007 4.67,1008 1,1009 5.541,1010 2.508,1011 4.174,1012 4.754,1013 1.235,1014 6.365,1015 4.048,1016 5.86,1017 0.855,1018 7.094,1019 2.136,1020 3.611,1021 4.477,1022 0.325,1023 7.273,1024 3.445,1025 7.162,1026 0.618,1027 8.755,1028 2.065,1029 5.759,1030 7.003,1031 0.938,1032 10.43,1033 5.52,1034 8.509,1035 0.493,1036 10.484,1037 1.372,1038 6.133,1039 7.712,1040 0.268,1041 12.222,1042 5.858,1043 9.898,1044 -0.421,1045 12.256,1046 1.325,1047 7.658,1048 9.598,1049 0.732,1050 14.86,1051 7.312,1052 11.315,1053 -0.762,1054 14.058,1055 -1.132,1056 8.45,1057 10.742,1058 0.188,1059 16.991,1060 8.062,1061 12.752,1062 -0.947,1063 15.88,1064 -1.958,1065 9.734,1066 12.388,1067 0.57,1068 19.462,1069 9.279,1070 3.192,1071 -1,1072 17.716,1073 -2.347,1074 10.717,1075 13.73,1076 0.125,1077 21.737,1078 10.212,1079 2.74,1080 11.011,1081 19.562,1082 -2.516,1083 11.908,1084 15.284,1085 0.438,1086 24.151,1087 11.339,1088 2.5,1089 8.909,1090 21.417,1091 4.529,1092 12.979,1093 16.715,1094 0.082,1095 26.489,1096 12.353,1097 1.823,1098 7.806,1099 23.278,1100 3.706,1101 14.136,1102 18.236,1103 0.334,1104 28.886,1105 13.448,1106 1.765,1107 4.795,1108 25.144,1109 3.05,1110 15.248,1111 19.707,1112 0.054,1113 31.253,1114 14.499,1115 1.256,1116 4.687,1117 27.015,1118 2.655,1119 16.397,1120 21.217,1121 0.252,1122 33.646,1123 15.584,1124 1.124,1125 2.974,1126 28.89,1127 2.101,1128 17.528,1129 22.707,1130 0.035,1131 36.028,1132 16.653,1133 3527,1134 6054,1135 16.296,1136 21.983,1137 35.041,1138 34.803,1139 34.467,1140 34.78,1141 34.733,1142 45.932,1143 3.32,1144 99.178,1145 32.487,1146 5.603,1147 5.304,1148 6.533,1149 5.236,1150 5.192,1151 7.529,1152 1.72,1153 18.221,1154 4.936,1156 1.524,1157 1.513,1158 1.499,1159 1.512,1160 1.51,1161 1.997,1162 0.144,1163 4.312,1164 1.412,1165 4.101,1166 4.153,1167 4.08,1168 3.918,1169 5.206,1170 3.953,1171 3.838,1172 3.853,1173 3.788,1174 3.67,1175 5.047,1176 3.695,1177 3.728,1178 3.788,1179 3.612,1180 3.495,1181 4.627,1182 3.514,1183 3.217,1184 3.285,1185 3.161,1186 2.946,1187 4.484,1188 2.991,1189 3.111,1190 3.206,1191 2.866,1192 2.941,1193 4.045,1194 2.91,1195 2.888,1196 2.95,1197 2.825,1198 2.611,1199 3.611,1200 2.653,1201 2.546,1202 2.639,1203 2.397,1204 2.317,1205 3.48,1206 2.306,1207 2.489,1208 2.576,1209 2.295,1210 2.217,1211 3.474,1212 2.239,1213 0.2,1214 0.144,1215 0.293,1216 0.18,1217 0.139,1218 4.603,1219 0.197,1220 3.304,1221 0.037,1222 6.731,1223 0.479,1224 4.132,1225 0.13,1226 3.192,1227 4.529,1228 0.86,1229 11.011,1230 3.001,1231 1.853,1232 1.809,1233 1.951,1234 2.05,1235 1.212,1236 2.02,1237 1.634,1238 1.582,1239 1.786,1240 1.866,1241 0.889,1242 1.847,1243 1.417,1244 1.382,1245 1.559,1246 1.646,1247 0.825,1248 1.615,1249 1.332,1250 1.249,1251 1.513,1252 1.574,1253 0.661,1254 1.544,1255 1.237,1256 1.231,1257 1.485,1258 1.504,1259 0.408,1260 1.482,1261 1.153,1262 1.064,1263 1.392,1264 1.376,1265 0.305,1266 1.429,1267 0.717,1268 0.637,1269 1.053,1270 1.083,1271 0.204,1272 1.069,1273 0.531,1274 0.462,1275 0.785,1276 0.826,1278 0.789,1279 3.85,1281 5.165,1282 3.045,1283 6.681,1284 5.209,1285 8.294,1286 7.154,1287 9.963,1295 3.029,1297 5.389,1300 2.179,1305 21.644,1306 56.644,1307 123.71,1308 144.465,1309 146.465,1310 146.465,1311 146.465,1312 19.684,1313 6.955,1314 80.07,1315 80.07,1316 22,1317 12.374,1318 4,1319 3.087,1320 25.937,1321 53,1322 50,1323 0.245,1324 130.297,1325 208.06,1326 309.684,1327 8489,1329 13.364,1330 0.668,1331 0.537,1332 13.364,1333 10.743,1334 9.916,1335 0.431,1336 0.282,1337 6.316,1338 9.284,1339 6.262,1340 5.107,1341 9.916,1342 6.48,1343 8.693,1344 0.272,1345 0.143,1346 8.693,1347 4.582,1348 7.77,1349 0.173,1350 0.074,1351 7.77,1352 3.351,1353 6.849,1354 0.11,1355 0.038,1356 6.849,1357 2.337,1358 5.156,1359 0.069,1360 0.019,1361 5.156,1362 1.45,1363 0.364,1364 63.795,1365 0.248,1366 19.408,1367 0.737,1368 110,1369 360.384,1370 125.943,1371 336.765,1372 469.89,1373 320,1374 132,1375 353.978,1376 149.526,1377 352.545,1378 522.76,1379 332,1380 5.422}
{0 CHEMBL593515,1 1.674,2 7.818,3 1.504,4 2.262,5 77.95,6 8.036,7 0.64,8 3.769,9 3.882,10 3.406,11 3.243,12 4.91,13 3.269,14 4.294,15 4.459,16 3.764,17 3.626,18 5.42,19 3.637,20 4.482,21 4.684,22 3.763,23 3.713,24 5.54,25 3.684,26 4.45,27 4.678,28 3.705,29 3.656,30 5.49,31 3.625,32 4.406,33 4.617,34 3.7,35 3.655,36 5.504,37 3.625,38 4.433,39 4.646,40 3.631,41 3.657,42 5.466,43 3.615,44 4.373,45 4.592,46 3.434,47 3.519,48 5.452,49 3.44,50 4.183,51 4.437,52 3.022,53 3.254,54 5.138,55 3.127,56 0.091,57 0.606,58 6.868,59 2.894,60 8.561,61 3.608,62 0.33,63 0.954,64 13.718,65 4.769,66 20.959,67 6.054,68 0.435,69 1.073,70 18.259,71 6.009,72 29.486,73 8.163,74 0.36,75 1.059,76 17.937,77 5.415,78 29.338,79 7.866,80 0.405,81 1.011,82 16.744,83 5.171,84 35.43,85 7.459,86 0.362,87 1.025,88 16.949,89 5.122,90 25.395,91 7.23,92 0.439,93 0.869,94 16.845,95 5.541,96 33.303,97 7.748,98 0.271,99 0.642,100 15.29,101 5.366,102 24.875,103 7.571,104 2,105 35,106 0.3,107 0.679,108 0.797,109 0.836,110 0.836,111 0.836,112 3.148,113 0.857,114 -3.62,115 -3.59,116 -3.42,119 40.5,125 4,142 4,143 1,144 1,147 1,149 2,152 1,160 1,172 4,174 3,175 2,178 1,180 2,183 4,186 1,187 4,190 3,192 2,195 2,198 3,199 4,204 1,211 1,212 6,215 2,217 1,224 2,227 1,229 2,236 2,237 3,240 2,242 1,250 2,254 1,255 1,263 1,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 12.611,283 9.15,284 15.83,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 16.024,292 4.385,293 13.272,294 3.536,295 1.415,296 0.757,297 0.541,298 0.541,299 0.541,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 21.511,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48.5,331 172,332 4.604,333 3.305,334 6.732,335 4.134,336 3.194,337 4.53,338 0.86,339 11.013,340 3.003,341 4.155,342 2.884,343 6.124,344 3.754,345 2.783,346 3.786,347 0.8,348 9.011,349 2.701,350 3.738,351 2.697,352 5.766,353 3.423,354 2.505,355 3.075,357 7.812,358 2.295,359 3.598,360 2.389,361 5.05,362 3.158,363 2.212,364 2.984,366 6.078,367 2.085,368 3.015,369 2.233,370 4.678,371 2.693,372 1.79,373 2.142,375 4.788,376 1.611,377 2.935,378 1.557,379 4.323,380 2.416,381 1.471,382 2.088,384 4.025,385 1.386,386 2.657,387 1.532,388 3.708,389 2.159,390 1.246,391 1.731,393 2.925,394 1.144,395 2.5,396 1.256,397 3.481,398 2.082,399 1.155,400 1.5,402 2.568,403 1.053,404 2.373,405 1.184,406 3.443,407 1.952,408 1,409 1.358,411 2.34,412 0.946,413 2,414 1,415 3.326,416 1.935,417 1,418 1,420 2.136,421 0.933,422 1.929,423 0.595,424 3.247,425 1.432,426 0.528,427 0.728,428 1.449,429 0.477,430 0.998,431 -0.057,432 2.707,433 0.556,434 -0.381,435 -0.492,436 -0.872,437 -0.352,438 0.909,439 -0.295,440 2.541,441 0.492,442 -0.425,443 -0.523,445 -1.123,446 -0.387,447 0.73,448 -0.36,449 2.182,450 0.33,451 -0.624,452 -0.783,454 -1.682,455 -0.592,456 0.5,457 -0.566,458 2,459 0.011,460 -0.936,461 -1,463 -2.347,464 -0.846,465 10.167,466 0.462,467 0.448,468 0.02,469 31,470 1.409,471 15,472 0.682,473 16,474 0.727,475 14.597,476 0.664,477 23.433,478 0.633,479 20.623,480 0.937,481 6.167,482 0.28,483 4.643,484 0.211,485 0.033,487 0.334,493 0.988,494 1.512,495 0.722,496 1.127,497 0.925,498 0.911,499 1.123,500 1.027,501 0.891,502 0.908,503 0.73,504 0.862,505 1.004,506 1.076,507 0.947,508 0.969,509 0.928,510 0.96,511 0.832,512 1.063,513 0.9,514 0.928,515 0.85,516 0.909,517 0.794,518 1.065,519 0.92,520 0.907,521 0.728,522 0.917,523 1.027,524 1.061,525 1.164,526 1.037,527 0.885,528 1.081,529 0.844,530 0.978,531 1.168,532 1.183,533 0.834,534 1.23,535 0.775,536 0.911,537 1.007,538 1.211,539 0.883,540 1.178,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 13581,553 2.205,554 40.5,556 12,558 1,559 2,564 1.651,565 2.129,566 2.995,567 0.393,568 1,569 1,571 1,573 61.933,574 1.674,575 3.794,576 4.453,577 4.669,578 4.669,579 4.669,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,590 1,591 192.75,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.67,606 1,607 0.405,608 98.781,609 -0.134,610 -0.329,611 0.05,612 -0.103,613 -0.111,614 -0.008,615 -0.095,616 0.09,617 -0.014,618 0.052,619 0.015,620 0.031,621 -0.031,622 -0.058,623 -0.007,624 0.001,625 -0.03,626 -0.011,627 -0.036,628 -0.018,629 0.045,630 0.005,631 -0.029,632 0.038,633 0.043,634 -0.007,635 0.004,636 0.042,637 0.096,638 0.024,639 -0.18,640 0.013,641 -0.247,642 -0.108,643 -0.161,644 -0.16,645 0.114,646 -0.008,647 -0.202,648 -0.211,649 0.036,650 -0.259,651 0.096,652 -0.082,653 0.024,654 -0.172,655 0.102,656 -0.1,657 1.476,658 3.661,659 0.955,660 14.38,661 1.016,662 1.135,663 2.388,664 5.7,665 0.669,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.653,678 297.35,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 13.5,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,728 1,731 37,733 16,734 1,735 25,737 40,738 15,739 11,740 2,741 4,746 4,747 5,761 11,762 4,777 1,778 1,781 15,782 6,783 2,784 7,787 1,790 5,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,848 22,853 1,854 4,856 1,859 1,870 5.4,872 1,874 1,877 10.333,878 6.583,879 4.778,880 2.172,881 3.064,882 1.427,883 1.002,884 3.406,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.101,900 3.492,901 7.727,902 15.463,904 12.797,905 2.227,906 49,910 153.024,911 71.621,912 70.266,914 53.683,917 71.621,918 206.708,919 70.266,921 13.396,922 37.905,923 124.43,924 27.139,925 4.472,926 141.253,928 153.024,929 141.887,930 53.683,933 157.068,934 42.683,935 11,937 38.8,938 48.687,939 50.357,941 153.024,942 123.95,943 71.621,946 153.024,947 25.097,948 49.648,949 16.786,950 104.04,951 153.024,952 123.95,953 71.621,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.05,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,974 13.491,975 5.555,976 2.548,977 1.445,978 107.164,979 8.541,980 13.42,981 3.108,984 2.33,986 59.469,987 348.595,988 33,999 37.582,1000 41.986,1001 0.321,1002 0.728,1003 0.855,1004 0.896,1005 0.896,1006 0.896,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 1.235,1014 6.45,1015 4.135,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.588,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.938,1032 10.491,1033 5.612,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.932,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.732,1050 14.897,1051 7.395,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.117,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.57,1068 19.486,1069 9.348,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.261,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.438,1086 24.168,1087 11.397,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.399,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.334,1104 28.899,1105 13.498,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.542,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.252,1122 33.657,1123 15.63,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.695,1133 4548,1134 7726,1135 17.394,1136 24.745,1137 37.966,1138 37.939,1139 38.154,1140 37.77,1141 37.768,1142 49.844,1143 3.32,1144 108.29,1145 35.267,1146 5.604,1147 5.305,1148 6.534,1149 5.237,1150 5.194,1151 7.53,1152 1.72,1153 18.223,1154 5.003,1155 5.832,1156 1.519,1157 1.518,1158 1.526,1159 1.511,1160 1.511,1161 1.994,1162 0.133,1163 4.332,1164 1.411,1165 4.102,1166 4.154,1167 4.08,1168 3.94,1169 6.471,1170 3.966,1171 3.863,1172 3.891,1173 3.807,1174 3.763,1175 5.178,1176 3.773,1177 3.723,1178 3.783,1179 3.608,1180 3.492,1181 4.678,1182 3.511,1183 3.266,1184 3.332,1185 3.215,1186 3.047,1187 4.616,1188 3.079,1189 3.111,1190 3.206,1191 2.875,1192 2.941,1193 4.4,1194 2.91,1195 2.953,1196 3,1197 2.866,1198 2.746,1199 4.037,1200 2.753,1201 2.915,1202 2.966,1203 2.793,1204 2.707,1205 3.62,1206 2.729,1207 2.676,1208 2.75,1209 2.555,1210 2.44,1211 3.528,1212 2.466,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.604,1219 0.181,1220 3.305,1221 0.034,1222 6.732,1223 0.441,1224 4.134,1225 0.12,1226 3.194,1227 4.53,1228 0.86,1229 11.013,1230 3.003,1231 1.934,1232 1.906,1233 2.015,1234 2.079,1235 1.216,1236 2.056,1237 1.776,1238 1.733,1239 1.929,1240 1.947,1241 1.078,1242 1.946,1243 1.575,1244 1.525,1245 1.706,1246 1.796,1247 0.825,1248 1.777,1249 1.33,1250 1.245,1251 1.513,1252 1.638,1253 0.813,1254 1.599,1255 1.153,1256 1.064,1257 1.478,1258 1.376,1259 0.37,1260 1.429,1261 0.948,1262 0.912,1263 1.148,1264 1.157,1265 0.239,1266 1.135,1267 0.883,1268 0.838,1269 1.1,1270 1.106,1271 0.198,1272 1.104,1273 0.736,1274 0.656,1275 1.059,1276 1.089,1277 0.126,1278 1.086,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1294 9.661,1295 2.928,1297 5.401,1300 2.165,1305 24.171,1306 61.933,1307 140.385,1308 164.75,1309 172.75,1310 172.75,1311 172.75,1312 26.145,1313 7.182,1314 87.16,1315 87.16,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 146.554,1325 240.02,1326 349.352,1327 11480,1329 14.941,1330 0.679,1331 0.539,1332 14.941,1333 11.859,1334 10.81,1335 0.432,1336 0.286,1337 6.996,1338 10.247,1339 6.915,1340 5.655,1341 10.81,1342 7.143,1343 9.68,1344 0.277,1345 0.146,1346 9.68,1347 5.122,1348 8.347,1349 0.174,1350 0.077,1351 8.347,1352 3.682,1353 7.33,1354 0.111,1355 0.039,1356 7.33,1357 2.596,1358 5.998,1359 0.071,1360 0.02,1361 5.998,1362 1.725,1363 0.348,1364 68.735,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 370.799,1370 135.168,1371 353.891,1372 491.4,1373 334,1374 143,1375 368.554,1376 159.197,1377 369.82,1378 547.75,1379 349,1380 6.73}
{0 CHEMBL593768,1 1.585,2 8.821,3 1.149,4 1.319,5 104.445,6 7.317,7 0.5,8 4.082,9 4.209,10 3.648,11 3.552,12 5.111,13 3.554,14 4.665,15 4.853,16 4.016,17 3.973,18 5.647,19 3.951,20 4.928,21 5.164,22 4.062,23 4.118,24 5.845,25 4.052,26 4.926,27 5.179,28 4.041,29 4.105,30 5.828,31 4.032,32 4.881,33 5.119,34 4.075,35 4.088,36 5.875,37 4.038,38 4.837,39 5.047,40 4.067,41 4.091,42 5.83,43 4.051,44 4.845,45 5.047,46 4,47 4.115,48 5.799,49 4.04,50 4.941,51 5.173,52 3.878,53 4.148,54 5.816,55 4.022,56 0.049,57 0.836,58 11.372,59 4.299,60 8.264,61 6.05,62 0.339,63 1.359,64 22.647,65 7.191,66 24.202,67 10.413,68 0.489,69 1.617,70 31.372,71 9.519,72 39.661,73 14.446,74 0.417,75 1.628,76 31.362,77 9.411,78 34.793,79 14.697,80 0.49,81 1.592,82 29.678,83 8.216,84 48.987,85 13.205,86 0.445,87 1.591,88 27.332,89 7.504,90 34.223,91 11.723,92 0.46,93 1.539,94 27.351,95 8.975,96 31.605,97 13.3,98 0.353,99 1.541,100 31.165,101 11.631,102 37.431,103 16.564,104 2,105 45,106 0.264,107 0.611,108 0.771,109 0.822,110 0.822,111 0.822,112 3.376,113 0.925,114 -4.06,115 -4.01,116 -3.79,119 38.5,121 2,125 6,127 1,142 4,143 1,144 1,146 1,147 1,149 1,160 1,161 1,172 4,174 4,175 4,180 4,183 5,186 4,187 4,192 2,195 2,198 3,199 8,202 1,204 1,211 1,212 7,215 2,223 1,224 8,227 2,232 2,236 2,237 4,240 2,245 4,250 3,253 3,255 1,258 2,263 3,268 4,271 2,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 17.782,282 25.261,283 11.727,284 20.205,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 13.074,291 33.524,292 5.627,293 16.911,294 4.115,295 2.036,296 1.077,297 0.769,298 0.769,299 0.769,300 4.092,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 25.417,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 247,332 4.694,333 3.379,334 6.903,335 4.224,336 3.288,337 4.638,338 0.86,339 11.617,340 3.078,341 4.19,342 3.029,343 6.328,344 3.809,345 2.854,346 3.81,347 0.8,348 9.591,349 2.742,350 3.983,351 2.875,352 6.124,353 3.706,354 2.76,355 3.353,356 0.4,357 9.006,358 2.598,359 3.603,360 2.548,361 5.574,362 3.289,363 2.344,364 2.996,366 7.156,367 2.205,368 3.436,369 2.371,370 5.05,371 3.148,372 2.2,373 2.523,375 6.076,376 2.08,377 3.012,378 2.217,379 4.792,380 2.762,381 1.843,382 2.14,384 4.963,385 1.69,386 2.936,387 1.878,388 4.327,389 2.425,390 1.513,391 2.065,393 4.043,394 1.388,395 2.696,396 1.532,397 4.161,398 2.405,399 1.468,400 1.765,402 3.569,403 1.359,404 2.621,405 1.468,406 3.753,407 2.158,408 1.225,409 1.658,411 2.916,412 1.144,413 2.442,414 1.256,415 3.5,416 2.058,417 1.133,418 1.426,420 2.602,421 1.035,422 2.242,423 1.183,424 3.474,425 1.984,426 1,427 1.222,428 2.488,429 0.983,430 2,431 1.077,432 3.399,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.025,440 3.247,441 1.938,442 1,443 1,445 2.136,446 0.935,447 1.947,448 0.728,449 3.247,450 1.545,451 0.634,452 0.81,454 1.753,455 0.576,456 1.038,457 -0.057,458 2.756,459 0.618,460 -0.317,461 -0.396,463 -0.808,464 -0.294,465 13.067,466 0.467,467 0.551,468 0.02,469 35.25,470 1.259,471 15,472 0.536,473 20.25,474 0.723,475 24.341,476 0.869,477 30.733,478 0.591,479 25.612,480 0.915,481 6.692,482 0.239,483 7.101,484 0.254,485 0.026,487 0.329,493 0.966,494 1.597,495 0.793,496 1.212,497 0.882,498 1.009,499 1.136,500 1.114,501 0.956,502 0.975,503 0.726,504 0.938,505 0.977,506 1.062,507 0.929,508 0.936,509 0.819,510 0.927,511 0.76,512 1.036,513 0.865,514 0.927,515 0.774,516 0.903,517 0.889,518 1.088,519 0.905,520 0.858,521 0.86,522 0.859,523 1.159,524 1.084,525 1.167,526 0.983,527 0.942,528 1.029,529 0.888,530 1.115,531 1.183,532 1.186,533 0.838,534 1.213,535 0.745,536 1.01,537 1.106,538 1.28,539 0.795,540 1.261,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 22256,553 2.223,554 46.2,556 17,558 1,559 2,562 4,564 1.72,565 2.154,566 3.136,567 0.282,568 1,569 1,573 82.435,574 1.585,575 3.665,576 4.624,577 4.931,578 4.931,579 4.931,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,591 296.423,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.5,606 0.88,607 0.343,608 136.928,609 -0.077,610 -0.341,611 0.074,612 -0.109,613 -0.039,614 -0.012,615 -0.074,616 0.043,617 -0.015,618 0.022,619 0.032,620 0.01,621 -0.013,622 -0.029,623 0.041,624 0.04,625 0.039,626 0.043,627 0.03,628 0.002,629 0.097,630 0.037,631 0.01,632 0.072,633 0.01,634 -0.004,635 0.06,636 0.088,637 0.03,638 0.089,639 -0.182,640 0.099,641 -0.221,642 -0.047,643 -0.148,644 -0.115,645 0.01,646 0.011,647 -0.258,648 -0.177,649 -0.06,650 -0.243,651 0.032,652 -0.018,653 -0.175,654 -0.222,655 0.046,656 -0.229,657 1.457,658 3.917,659 0.964,660 24,661 1.004,662 1.137,663 2.829,664 8.005,665 0.65,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.621,678 380.5,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 11.5,691 1,695 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,728 1,731 52,733 16,734 1,735 32,737 56,738 20,739 11,740 2,741 4,746 5,747 6,755 3,758 3,761 11,762 9,777 1,778 1,781 24,782 7,783 2,784 8,787 1,790 6,794 0.8,795 2,806 1,811 1,812 4,815 1,835 1,839 1,840 4,848 28,853 1,854 8,855 1,856 1,858 1,859 1,870 3.8,872 1,874 1,877 13,878 9.117,879 6.083,880 3.293,881 2.982,882 1.377,883 0.996,884 4.889,885 10.893,886 3.714,887 4.314,888 4.96,889 5.616,890 6.203,891 6.647,892 7.174,893 7.646,894 7.985,895 8.342,896 0.833,897 46,898 10.387,900 4.508,901 7.583,902 20.303,904 17.3,905 2.083,906 58.333,910 258.964,911 80.901,912 73.391,914 53.683,917 80.901,918 312.647,919 73.391,921 22.677,922 55.916,923 126.145,924 12.681,925 2.328,926 247.193,928 258.964,929 154.292,930 53.683,933 214.208,934 89.768,935 11,937 55.065,938 46.543,939 50.357,941 258.964,942 127.074,943 80.901,946 258.964,947 34.378,948 51.547,949 18.011,950 104.04,951 258.964,952 127.074,953 80.901,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.054,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 126.606,974 17.861,975 7.664,976 3.491,977 1.7,978 125.175,979 9.011,980 14.439,984 2.468,985 2.202,986 60.694,987 466.939,988 40,999 52.218,1000 59.145,1001 0.278,1002 0.643,1003 0.811,1004 0.865,1005 0.865,1006 0.865,1007 4.963,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.001,1013 1.324,1014 6.725,1015 4.389,1016 6.146,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.796,1022 0.325,1023 7.662,1024 3.827,1025 7.452,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.224,1031 0.958,1032 10.826,1033 5.876,1034 8.799,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 7.946,1040 0.268,1041 12.643,1042 6.195,1043 10.187,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 9.821,1049 0.736,1050 15.31,1051 7.674,1052 11.603,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 10.972,1058 0.188,1059 17.479,1060 8.403,1061 13.042,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.629,1067 0.57,1068 19.984,1069 9.646,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 13.981,1076 0.125,1077 22.301,1078 10.57,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.553,1085 0.439,1086 24.754,1087 11.719,1088 2.76,1089 9.591,1090 21.845,1091 4.638,1092 13.406,1093 16.999,1094 0.082,1095 27.137,1096 12.735,1097 2.344,1098 9.006,1099 23.72,1100 3.81,1101 14.581,1102 18.539,1103 0.334,1104 29.577,1105 13.848,1106 2.2,1107 7.156,1108 25.601,1109 3.353,1110 15.712,1111 20.029,1112 0.054,1113 31.991,1114 14.909,1115 1.843,1116 6.076,1117 27.488,1118 2.996,1119 16.881,1120 21.56,1121 0.252,1122 34.43,1123 16.012,1124 1.513,1125 4.963,1126 29.38,1127 2.523,1128 18.034,1129 23.071,1130 0.035,1131 36.861,1132 17.096,1133 8616,1134 13453,1135 22.364,1136 33.796,1137 48.6,1138 48.776,1139 49.005,1140 48.556,1141 48.523,1142 60.813,1143 4.12,1144 140.1,1145 45.518,1146 5.694,1147 5.379,1148 6.705,1149 5.328,1150 5.288,1151 7.638,1152 1.72,1153 19.164,1154 5.078,1155 6.891,1156 1.519,1157 1.524,1158 1.531,1159 1.517,1160 1.516,1161 1.9,1162 0.129,1163 4.378,1164 1.422,1165 4.136,1166 4.188,1167 4.112,1168 3.969,1169 6.471,1170 3.997,1171 3.882,1172 3.916,1173 3.821,1174 3.791,1175 5.136,1176 3.796,1177 3.788,1178 3.846,1179 3.676,1180 3.616,1181 4.661,1182 3.621,1183 3.694,1184 3.757,1185 3.572,1186 3.479,1187 4.616,1188 3.494,1189 3.271,1190 3.338,1191 3.212,1192 3.049,1193 4.418,1194 3.08,1195 3.111,1196 3.206,1197 2.918,1198 2.941,1199 4.32,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.021,1206 2.91,1207 3.003,1208 3.071,1209 2.866,1210 2.793,1211 3.643,1212 2.811,1213 0.147,1214 0.106,1215 0.216,1216 0.132,1217 0.103,1218 4.694,1219 0.145,1220 3.379,1221 0.027,1222 6.903,1223 0.363,1224 4.224,1225 0.096,1226 3.288,1227 4.638,1228 0.86,1229 11.617,1230 3.078,1231 1.943,1232 1.913,1233 2.053,1234 2.099,1235 1.402,1236 2.082,1237 1.842,1238 1.79,1239 2.004,1240 2.011,1241 1.212,1242 2.013,1243 1.755,1244 1.704,1245 1.925,1246 1.944,1247 1.078,1248 1.943,1249 1.561,1250 1.511,1251 1.674,1252 1.771,1253 0.825,1254 1.751,1255 1.311,1256 1.23,1257 1.513,1258 1.598,1259 0.825,1260 1.568,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.816,1266 1.429,1267 1.153,1268 1.064,1269 1.476,1270 1.376,1271 0.595,1272 1.429,1273 0.982,1274 0.94,1275 1.196,1276 1.203,1277 0.283,1278 1.201,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.917,1295 7.061,1296 3.415,1297 5.514,1299 0.385,1300 2.222,1305 32.299,1306 82.435,1307 190.571,1308 240.423,1309 256.423,1310 256.423,1311 256.423,1312 37.976,1313 7.911,1314 88.33,1315 88.33,1316 29,1317 12.772,1318 4.087,1319 3.17,1320 37.229,1321 95,1322 93,1323 0.195,1324 193.917,1325 325.16,1326 464.917,1327 27442,1329 18.924,1330 0.676,1331 0.561,1332 18.924,1333 15.712,1334 13.793,1335 0.431,1336 0.308,1337 9.691,1338 13.132,1339 9.575,1340 7.817,1341 13.793,1342 9.868,1343 12.292,1344 0.273,1345 0.163,1346 12.292,1347 7.326,1348 10.787,1349 0.171,1350 0.088,1351 10.787,1352 5.52,1353 9.528,1354 0.108,1355 0.046,1356 9.528,1357 4.023,1358 8.076,1359 0.068,1360 0.024,1361 8.076,1362 2.827,1363 0.294,1364 87.217,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 424.444,1370 171.582,1371 405.312,1372 567.74,1373 384,1374 185,1375 429.23,1376 204.361,1377 430.219,1378 641.24,1379 407,1380 7.191}
{0 CHEMBL594173,1 1.613,2 15.878,3 3.734,4 13.94,5 159.375,6 7.611,7 0.468,8 4.437,9 4.562,10 4.067,11 3.974,12 5.447,13 3.946,14 5.024,15 5.208,16 4.471,17 4.408,18 6.008,19 4.356,20 5.289,21 5.503,22 4.484,23 4.55,24 6.19,25 4.452,26 5.327,27 5.591,28 4.415,29 4.527,30 6.186,31 4.393,32 5.226,33 5.465,34 4.464,35 4.501,36 6.178,37 4.387,38 5.123,39 5.299,40 4.511,41 4.534,42 6.133,43 4.431,44 5.176,45 5.375,46 4.432,47 4.546,48 6.075,49 4.434,50 5.239,51 5.463,52 4.324,53 4.503,54 6.159,55 4.383,56 0.021,57 1.217,58 16.083,59 6.693,60 10.281,61 8.835,62 0.441,63 2.027,64 33.226,65 11.444,66 36.542,67 15.322,68 0.595,69 2.465,70 49.211,71 15.304,72 48.34,73 21.087,74 0.407,75 2.437,76 50.358,77 17.361,78 53.416,79 24.408,80 0.545,81 2.276,82 52.639,83 16.629,84 61.83,85 21.242,86 0.518,87 2.234,88 43.73,89 15.121,90 51.831,91 18.637,92 0.264,93 2.277,94 43.537,95 16.076,96 32.668,97 20.999,98 0.521,99 2.324,100 45.685,101 15.872,102 59.101,103 21.613,104 5,105 67,106 0.247,107 0.572,108 0.729,109 0.792,110 0.812,111 0.816,112 3.742,113 0.962,114 -3.81,115 -3.77,116 -3.59,119 40,121 2,124 1,125 7,127 2,142 7,143 1,144 2,145 2,146 1,147 1,149 1,152 2,159 1,172 5,174 2,175 7,178 2,179 1,180 4,183 6,186 2,187 11,192 2,195 2,198 1,199 11,202 1,204 5,207 1,211 2,212 6,217 2,220 3,223 3,224 6,227 3,229 1,232 10,236 1,237 5,245 10,249 3,250 6,253 3,255 1,258 6,262 3,263 8,268 1,271 4,275 3892,276 28.253,277 28.253,278 28.253,279 28.253,280 28.253,281 25.61,282 36.989,283 16.655,284 29.136,285 23.329,286 23.329,287 23.329,288 23.329,289 23.329,290 19.253,291 55.882,292 8.118,293 24.825,294 4.616,295 2.486,296 1.459,297 1.05,298 0.917,299 0.89,300 4.468,305 1,306 1472,307 3.536,310 196.547,311 659.011,312 130.061,314 179.654,318 2.375,319 31.403,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 88,331 651,332 4.64,333 3.562,334 6.761,335 4.163,336 3.237,337 4.578,338 1.656,339 11.149,340 2.997,341 4.172,342 3.392,343 6.116,344 3.811,345 2.869,346 3.791,347 0.916,348 8.995,349 2.728,350 3.978,351 3.148,352 5.966,353 3.75,354 2.8,355 3.479,356 0.86,357 8.686,358 2.625,359 3.954,360 2.997,361 5.6,362 3.617,363 2.666,364 3.279,365 0.8,366 7.697,367 2.539,368 3.788,369 2.789,370 5.567,371 3.55,372 2.611,373 3.119,374 0.8,375 7.623,376 2.431,377 3.676,378 2.687,379 5.455,380 3.366,381 2.413,382 2.8,383 0.247,384 7.144,385 2.304,386 3.542,387 2.549,388 5.323,389 3.301,390 2.368,391 2.657,392 0.172,393 6.924,394 2.192,395 3.407,396 2.466,397 5.058,398 3.045,399 2.126,400 2.632,402 6.06,403 1.953,404 3.277,405 2.385,406 4.879,407 2.938,408 1.954,409 2.442,411 5.638,412 1.906,413 2.984,414 2.093,415 4.765,416 2.839,417 1.879,418 2.096,420 5.27,421 1.794,422 2.879,423 2.005,424 4.679,425 2.674,426 1.759,427 1.979,428 5.069,429 1.594,430 2.865,431 1.567,432 4.587,433 2.381,434 1.464,435 1.911,436 4.48,437 1.337,438 2.818,439 1.519,440 4.363,441 2.343,442 1.418,443 1.879,445 4.048,446 1.3,447 2.695,448 1.46,449 3.632,450 2.286,451 1.337,452 1.731,454 2.988,455 1.261,456 2.5,457 1.146,458 3.566,459 2,460 1,461 1.5,463 2.275,464 1,465 19.7,466 0.48,467 0.964,468 0.024,469 52,470 1.268,471 23,472 0.561,473 29,474 0.707,475 41.296,476 1.007,477 43.9,478 0.585,479 40.943,480 0.999,481 9.784,482 0.239,483 10.268,484 0.25,485 0.042,487 0.34,493 0.865,494 1.472,495 0.75,496 1.069,497 0.616,498 0.965,499 1.104,500 1.022,501 0.89,502 0.861,503 0.598,504 0.877,505 1.237,506 1.171,507 1.142,508 1.12,509 0.959,510 1.076,511 0.715,512 0.989,513 0.81,514 0.91,515 0.665,516 0.92,517 1.073,518 0.887,519 1.221,520 0.996,521 1.297,522 0.79,523 1.027,524 1.033,525 1.416,526 1.292,527 1.274,528 1.126,529 0.746,530 1.22,531 1.218,532 1.289,533 0.574,534 1.147,535 0.798,536 1.065,537 1.177,538 1.188,539 0.628,540 1.166,541 9,542 0.287,543 3.111,544 2.417,545 1.826,546 1.449,547 0.916,548 0.586,549 0.467,550 0.372,551 32045,552 75526,553 2.221,554 45.3,556 26,558 2,559 2,561 4,564 1.808,565 2.139,566 3.884,567 0.161,573 120.981,574 1.613,575 3.742,576 4.77,577 5.179,578 5.312,579 5.339,580 3.391,581 4.803,582 5.32,583 4.095,584 3358.17,585 9.415,586 60011.6,591 467.161,592 1.177,593 5.314,594 0.191,595 0.006,596 0.046,597 0.038,598 0.031,599 0.023,600 0.014,601 0.009,602 0.008,603 0.007,604 0.374,605 0.33,606 0.63,607 0.343,608 234.256,609 -0.034,610 -0.271,611 0.087,612 -0.059,613 0.001,614 -0.003,615 0.005,616 0.117,617 0.048,618 0.106,619 0.123,620 0.056,621 -0.125,622 -0.126,623 -0.109,624 -0.101,625 -0.068,626 -0.108,627 0.056,628 -0.029,629 0.163,630 0.073,631 0.139,632 0.088,633 -0.044,634 0.147,635 0.072,636 0.178,637 0.015,638 0.225,639 -0.023,640 0.116,641 -0.176,642 -0.089,643 -0.108,644 -0.127,645 -0.014,646 -0.146,647 -0.132,648 -0.16,649 -0.024,650 -0.123,651 0.045,652 -0.025,653 -0.189,654 -0.174,655 0.054,656 -0.177,657 1.975,658 5.435,659 0.854,660 61.479,661 1,662 1.13,663 2.583,664 6.673,665 0.673,666 3.871,667 4.22,668 4.5,669 4.82,670 5.088,671 5.236,672 5.468,673 5.677,674 5.875,675 6.091,676 9.034,677 0.635,678 570.79,679 3.871,680 5.434,681 6.293,682 7.183,683 8.059,684 8.954,685 9.84,686 10.741,687 11.634,688 12.539,689 10.7,692 2,695 1,696 2,699 3,703 2,704 9,705 3,708 1,709 6,711 22,726 1,731 75,733 23,734 1,735 47,737 81,738 30,739 17,740 2,741 4,746 7,747 9,751 1,755 4,758 4,761 18,762 12,766 1,771 1,775 1,781 34,782 10,783 2,784 11,785 1,790 8,794 0.714,795 2,801 1,805 1,806 1,811 2,812 5,813 1,815 1,836 2,839 1,840 5,842 1,844 1,848 41,854 9,855 2,856 1,858 2,859 3,865 1,870 2.7,873 1,874 1,877 19.167,878 13.617,879 8.694,880 4.61,881 3.901,882 1.425,883 1.03,884 7.673,885 13.072,886 4.094,887 4.675,888 5.232,889 5.851,890 6.409,891 6.781,892 7.302,893 7.792,894 8.158,895 8.606,896 0.909,897 64,898 15.222,900 6.617,901 7.537,902 29.892,904 25.66,905 2.037,906 83.5,910 376.675,911 165.791,912 95.751,914 36.145,916 31.278,917 134.513,918 412.82,919 95.751,920 8.396,921 55.83,922 66.334,923 110.044,924 40.639,925 8.708,926 384.411,928 376.675,929 230.264,930 36.145,931 31.278,933 331.919,934 72.229,935 11,937 82.318,938 95.261,939 50.357,940 31.278,941 376.675,942 131.896,943 165.791,946 376.675,947 72.966,948 102.198,949 36.022,950 86.501,951 376.675,952 131.896,953 165.791,955 0.586,956 0.332,957 0.184,958 0.103,959 35,960 14,961 0.074,962 6,963 3,964 1.143,965 5.22,966 432.199,967 0.171,968 34,969 201.66,970 1,974 26.871,975 11.707,976 6.128,977 2.155,978 131.896,979 16.72,980 14.162,983 1.828,984 5.324,986 36.022,987 674.362,988 59,993 12.435,997 -0.308,999 75.032,1000 84.723,1001 0.259,1002 0.601,1003 0.766,1004 0.831,1005 0.853,1006 0.857,1007 5.359,1008 2.126,1009 6.275,1010 6.924,1011 4.905,1012 5.364,1013 2.371,1014 7.074,1015 4.782,1016 6.54,1017 1.954,1018 7.816,1019 6.06,1020 4.443,1021 5.103,1022 1.494,1023 7.874,1024 4.247,1025 7.833,1026 1.879,1027 9.449,1028 5.638,1029 6.491,1030 7.5,1031 2.651,1032 10.986,1033 6.243,1034 9.154,1035 1.759,1036 11.136,1037 5.27,1038 6.825,1039 8.091,1040 2.426,1041 12.626,1042 6.494,1043 10.508,1044 1.464,1045 12.859,1046 5.069,1047 8.331,1048 9.977,1049 3.321,1050 15.249,1051 7.952,1052 11.885,1053 1.418,1054 14.608,1055 4.48,1056 9.054,1057 11.008,1058 3.436,1059 17.286,1060 8.588,1061 13.283,1062 1.337,1063 16.377,1064 4.048,1065 10.331,1066 12.675,1067 4.179,1068 19.742,1069 9.813,1070 3.237,1071 1,1072 18.164,1073 2.988,1074 11.256,1075 13.942,1076 4.472,1077 21.971,1078 10.65,1079 2.869,1080 11.149,1081 19.964,1082 2.275,1083 12.436,1084 15.513,1085 5.118,1086 24.376,1087 11.771,1088 2.8,1089 8.995,1090 21.778,1091 4.578,1092 13.465,1093 16.905,1094 5.506,1095 26.697,1096 12.714,1097 2.666,1098 8.686,1099 23.602,1100 3.791,1101 14.611,1102 18.437,1103 6.093,1104 29.092,1105 13.793,1106 2.611,1107 7.697,1108 25.437,1109 3.479,1110 15.695,1111 19.891,1112 6.532,1113 31.456,1114 14.792,1115 2.413,1116 7.623,1117 27.28,1118 3.279,1119 16.832,1120 21.409,1121 7.084,1122 33.852,1123 15.857,1124 2.368,1125 7.144,1126 29.131,1127 3.119,1128 17.947,1129 22.895,1130 7.551,1131 36.238,1132 16.888,1133 28878,1134 44590,1135 32.709,1136 50.5,1137 71.194,1138 71.969,1139 71.297,1140 70.823,1141 70.826,1142 88.25,1143 10.904,1144 204.948,1145 66.528,1146 5.64,1147 5.562,1148 6.562,1149 5.305,1150 5.237,1151 7.578,1152 2.912,1153 18.438,1154 4.997,1155 13.017,1156 1.515,1157 1.531,1158 1.517,1159 1.507,1160 1.507,1161 1.878,1162 0.232,1163 4.361,1164 1.415,1165 4.115,1166 4.143,1167 4.339,1168 4.076,1169 7.431,1170 4.038,1171 3.909,1172 3.948,1173 3.894,1174 3.836,1175 5.051,1176 3.824,1177 3.89,1178 3.932,1179 3.807,1180 3.748,1181 4.908,1182 3.755,1183 3.856,1184 3.913,1185 3.799,1186 3.732,1187 4.7,1188 3.736,1189 3.802,1190 3.851,1191 3.703,1192 3.613,1193 4.659,1194 3.623,1195 3.446,1196 3.501,1197 3.453,1198 3.251,1199 4.42,1200 3.266,1201 3.358,1202 3.422,1203 3.299,1204 3.096,1205 4.259,1206 3.139,1207 3.213,1208 3.307,1209 3.08,1210 2.975,1211 4.076,1212 2.98,1213 0.099,1214 0.076,1215 0.144,1216 0.089,1217 0.069,1218 4.64,1219 0.097,1220 3.562,1221 0.035,1222 6.761,1223 0.237,1224 4.163,1225 0.064,1226 3.237,1227 4.578,1228 1.656,1229 11.149,1230 2.997,1231 1.946,1232 1.919,1233 2.024,1234 2.065,1235 1.312,1236 2.053,1237 1.824,1238 1.783,1239 1.998,1240 2.019,1241 1.255,1242 2.021,1243 1.795,1244 1.739,1245 1.933,1246 1.983,1247 1.219,1248 1.969,1249 1.771,1250 1.726,1251 1.886,1252 1.924,1253 1.106,1254 1.921,1255 1.604,1256 1.543,1257 1.86,1258 1.769,1259 0.948,1260 1.798,1261 1.585,1262 1.541,1263 1.727,1264 1.76,1265 0.932,1266 1.756,1267 1.482,1268 1.457,1269 1.604,1270 1.626,1271 0.858,1272 1.651,1273 1.243,1274 1.2,1275 1.513,1276 1.546,1277 0.825,1278 1.5,1279 4.554,1281 5.894,1282 3.045,1283 7.415,1284 5.416,1285 9.018,1286 7.506,1287 10.667,1289 2.19,1295 9.284,1296 5.695,1297 6.138,1299 0.547,1300 7.331,1305 47.636,1306 120.981,1307 280.674,1308 357.735,1309 388.407,1310 398.407,1311 400.407,1312 58.519,1313 9.171,1314 98.75,1315 126.99,1316 40,1317 13.06,1318 4.585,1319 3.7,1320 54.227,1321 216,1322 259,1323 0.117,1324 288.063,1325 492.49,1326 694.635,1327 141678,1329 27.761,1330 0.677,1331 0.584,1332 28.114,1333 23.939,1334 20.052,1335 0.427,1336 0.321,1337 14.107,1338 18.779,1339 13.756,1340 11.27,1341 20.46,1342 15.075,1343 18.656,1344 0.278,1345 0.183,1346 19.299,1347 12.269,1348 15.661,1349 0.176,1350 0.103,1351 16.449,1352 9.167,1353 13.698,1354 0.111,1355 0.057,1356 14.636,1357 6.986,1358 11.42,1359 0.071,1360 0.032,1361 12.3,1362 5.111,1363 0.187,1364 129.805,1365 0.175,1366 36.944,1367 0.315,1368 228,1369 602.868,1370 276.169,1371 602.848,1372 840.88,1373 570,1374 270,1375 615.777,1376 318.295,1377 637.629,1378 941.41,1379 601,1380 7.066}
{0 CHEMBL594217,1 1.824,2 9.4,3 1.297,4 1.683,5 90.01,6 8.558,7 0.571,8 3.883,9 3.981,10 3.723,11 3.431,12 4.955,13 3.41,14 4.45,15 4.601,16 3.998,17 3.805,18 5.746,19 3.788,20 4.636,21 4.818,22 3.99,23 3.902,24 5.808,25 3.856,26 4.615,27 4.816,28 3.899,29 3.856,30 5.777,31 3.806,32 4.601,33 4.826,34 3.799,35 3.816,36 5.64,37 3.756,38 4.527,39 4.742,40 3.807,41 3.772,42 5.526,43 3.71,44 4.474,45 4.684,46 3.705,47 3.661,48 5.695,49 3.579,50 4.319,51 4.557,52 3.453,53 3.493,54 5.285,55 3.361,56 0.123,57 0.702,58 9.426,59 4.064,60 16.738,61 4.337,62 0.497,63 1.11,64 19.17,65 6.724,66 55.669,67 7.458,68 0.595,69 1.257,70 23.202,71 8.006,72 56.159,73 9.39,74 0.485,75 1.255,76 21.997,77 7.365,78 50.651,79 9.244,80 0.503,81 1.185,82 21.325,83 7.032,84 51.167,85 9.485,86 0.408,87 1.151,88 19.428,89 6.257,90 32.312,91 8.672,92 0.575,93 1.018,94 18.364,95 6.251,96 53.722,97 8.212,98 0.322,99 0.828,100 18.693,101 6.305,102 30.542,103 8.371,104 11,105 41,106 0.316,107 0.651,108 0.773,109 0.79,110 0.79,111 0.79,112 3.268,113 1.045,114 -3.78,115 -3.74,116 -3.56,119 38.1,124 1,125 4,142 4,143 1,144 1,147 1,149 2,152 1,160 1,172 4,174 4,175 2,178 1,183 4,186 1,187 8,190 3,195 2,198 3,199 10,211 1,212 6,217 1,224 4,227 1,229 2,236 6,237 1,242 2,250 2,262 4,263 2,275 869,276 16.764,277 16.764,278 16.764,279 16.764,280 16.764,281 14.698,282 13.607,283 9.744,284 17.505,285 13.854,286 13.854,287 13.854,288 13.854,289 13.854,290 10.615,291 17.346,292 4.634,293 15.082,294 3.568,295 1.629,296 0.923,297 0.827,298 0.827,299 0.827,300 3.963,304 1,305 1,306 513,307 3.082,310 55.99,311 202.989,314 98.227,318 1.456,319 32.644,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 235,332 4.802,333 5.18,334 7.111,335 4.188,336 3.316,337 4.663,338 2.95,339 11.659,340 3.004,341 4.601,342 3.304,343 6.731,344 4.122,345 3.188,346 4.527,347 0.86,348 11.01,349 2.846,350 4.078,351 2.843,352 6.098,353 3.679,354 2.714,355 3.665,356 0.8,357 8.901,358 2.601,359 3.737,360 2.688,361 5.765,362 3.418,363 2.498,364 3.05,366 7.806,367 2.291,368 3.378,369 2.528,370 4.74,371 2.818,372 1.864,373 2.766,375 5.203,376 1.771,377 3.015,378 2.233,379 4.673,380 2.689,381 1.783,382 2.107,384 4.787,385 1.609,386 2.859,387 1.617,388 4.356,389 2.303,390 1.363,391 2.005,393 3.973,394 1.276,395 2.532,396 1.554,397 3.712,398 2.098,399 1.226,400 1.544,402 2.914,403 1.062,404 2.5,405 1.256,406 3.453,407 2,408 1.03,409 1.5,411 2.381,412 1,413 2.376,414 1.09,415 3.414,416 1.953,417 1,418 1.362,420 2.275,421 0.949,422 2,423 1,424 3.337,425 1.952,426 1,427 1,428 2.136,429 0.946,430 1.934,431 0.788,432 3.247,433 1.44,434 0.537,435 0.737,436 1.474,437 0.484,438 1.053,439 0.568,440 2.823,441 0.589,442 -0.352,443 -0.47,445 -0.925,446 -0.326,447 1,448 -0.061,449 2.695,450 0.457,451 -0.47,452 -0.564,454 -1.208,455 -0.433,456 0.868,457 -0.297,458 2.407,459 0.042,460 -0.891,461 -1,463 -2.229,464 -0.774,465 11.833,466 0.473,467 0.737,468 0.029,469 35.25,470 1.41,471 17.5,472 0.7,473 17.75,474 0.71,475 18.085,476 0.723,477 27.167,478 0.647,479 25.444,480 1.018,481 6.72,482 0.269,483 5.301,484 0.212,485 0.099,486 0.07,487 0.287,493 0.677,494 1.528,495 0.787,496 1.284,497 0.663,498 0.961,499 0.999,500 1.005,501 1.015,502 0.981,503 0.612,504 0.841,505 1.136,506 1.026,507 0.986,508 0.92,509 1.098,510 0.951,511 0.941,512 1.1,513 0.963,514 0.98,515 0.946,516 1.032,517 0.882,518 0.963,519 0.754,520 0.739,521 0.825,522 0.9,523 0.742,524 1.121,525 0.82,526 0.948,527 0.475,528 1.044,529 0.736,530 0.947,531 0.91,532 0.924,533 0.513,534 1.125,535 0.739,536 0.97,537 0.869,538 1.067,539 0.692,540 1.106,541 5.5,542 0.151,543 3.333,544 1.438,545 1.128,546 1.073,547 0.524,548 0.202,549 0.281,550 0.285,551 6963,552 22146,553 2.12,554 40.5,556 15,558 1,559 1,564 1.682,565 1.987,566 3.195,567 -0.198,568 1,569 1,571 1,573 76.626,574 1.824,575 3.763,576 4.47,577 4.565,578 4.565,579 4.565,580 2.695,581 3.894,582 4.614,583 3.381,584 1014.19,585 7.993,586 11965.6,587 1,588 1,591 226.477,592 1.535,593 4.57,594 0.196,595 0.01,596 0.081,597 0.036,598 0.03,599 0.032,600 0.016,601 0.007,602 0.015,603 0.017,604 0.441,605 0.5,606 1,607 0.739,608 119.13,609 0.014,610 -0.306,611 0.204,612 -0.123,613 -0.135,614 -0.012,615 0.008,616 0.106,617 -0.047,618 0.038,619 0.212,620 0.075,621 -0.128,622 -0.01,623 -0.087,624 0.025,625 -0.086,626 -0.011,627 -0.115,628 -0.058,629 -0.127,630 -0.095,631 -0.075,632 -0.099,633 -0.1,634 0.015,635 0.003,636 0.079,637 -0.102,638 0.057,639 -0.05,640 -0.087,641 -0.03,642 -0.092,643 -0.038,644 -0.094,645 0.158,646 0.059,647 -0.084,648 -0.068,649 0.149,650 -0.193,651 0.016,652 -0.071,653 0.101,654 -0.075,655 -0.018,656 -0.048,657 4.15,658 4.618,659 0.84,660 20.39,661 1.021,662 1.132,663 2.547,664 6.49,665 0.681,666 3.367,667 3.738,668 4.007,669 4.277,670 4.522,671 4.682,672 4.875,673 4.942,674 5.056,675 5.176,676 5.727,677 0.657,678 359.45,679 3.367,680 4.934,681 5.796,682 6.696,683 7.577,684 8.481,685 9.37,686 10.275,687 11.169,688 12.076,689 11.9,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,731 42,733 18,734 1,735 28,737 45,738 16,739 11,740 2,741 4,746 4,747 5,761 11,762 5,766 2,769 1,771 2,777 1,778 1,781 17,782 7,783 1,784 9,785 1,787 1,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 25,851 1,854 4,856 1,859 1,870 7.1,873 2,874 1,877 12.583,878 7.883,879 5.278,880 2.386,881 3.266,882 1.438,883 1.023,884 4.098,885 10.718,886 3.664,887 4.341,888 4.919,889 5.538,890 6.09,891 6.544,892 7.058,893 7.429,894 7.793,895 8.25,896 1,897 40,898 9.396,900 4.254,901 7.897,902 17.563,904 14.818,905 2.397,906 59.917,910 188.338,911 86.408,912 70.266,914 55.313,916 6.046,917 80.362,918 243.65,919 70.266,920 7.19,921 13.396,922 43.951,923 126.059,924 28.689,925 4.472,926 176.567,928 188.338,929 150.628,930 55.313,931 6.046,933 192.381,934 44.313,935 11,937 38.8,938 57.428,939 56.403,941 188.338,942 125.579,943 86.408,945 6.046,946 188.338,947 26.648,948 56.838,949 16.786,950 105.669,951 188.338,952 125.579,953 86.408,955 0.595,956 0.339,957 0.178,958 0.096,959 22,960 9,961 0.067,962 3,963 1,964 1.095,965 3.66,966 217.147,967 0.095,968 21,969 106.096,973 1,974 16.308,975 6.283,976 3.196,977 1.372,978 108.794,979 8.161,980 13.446,981 3.095,984 2.312,986 16.786,987 400.325,988 38,991 -3.233,993 23.235,999 42.869,1000 47.531,1001 0.338,1002 0.698,1003 0.829,1004 0.847,1005 0.847,1006 0.847,1007 4.92,1008 1.226,1009 5.826,1010 3.973,1011 4.419,1012 5.027,1013 3.037,1014 6.698,1015 4.258,1016 6.174,1017 1.03,1018 7.43,1019 2.914,1020 4.205,1021 5.156,1022 0.325,1023 7.895,1024 3.909,1025 7.538,1026 1,1027 9.147,1028 2.381,1029 6.12,1030 7.407,1031 5.037,1032 10.925,1033 5.781,1034 8.948,1035 1,1036 10.933,1037 2.275,1038 6.723,1039 8.364,1040 0.268,1041 12.906,1042 6.234,1043 10.394,1044 0.537,1045 12.763,1046 2.136,1047 8.156,1048 10.145,1049 7.186,1050 15.517,1051 7.616,1052 11.865,1053 -0.352,1054 14.62,1055 1.474,1056 9.093,1057 11.433,1058 0.188,1059 17.776,1060 8.409,1061 13.355,1062 -0.47,1063 16.497,1064 -0.925,1065 10.356,1066 13.05,1067 9.348,1068 20.261,1069 9.602,1070 3.316,1071 -0.891,1072 18.388,1073 -1.208,1074 11.431,1075 14.474,1076 0.125,1077 22.625,1078 10.546,1079 3.188,1080 11.659,1081 20.289,1082 -2.229,1083 12.634,1084 16.033,1085 11.511,1086 25.072,1087 11.664,1088 2.714,1089 11.01,1090 22.198,1091 4.663,1092 13.768,1093 17.514,1094 0.082,1095 27.478,1096 12.677,1097 2.498,1098 8.901,1099 24.113,1100 4.527,1101 14.952,1102 19.051,1103 13.675,1104 29.915,1105 13.766,1106 1.864,1107 7.806,1108 26.034,1109 3.665,1110 16.112,1111 20.558,1112 0.054,1113 32.339,1114 14.811,1115 1.783,1116 5.203,1117 27.958,1118 3.05,1119 17.291,1120 22.088,1121 15.838,1122 34.775,1123 15.891,1124 1.363,1125 4.787,1126 29.887,1127 2.766,1128 18.463,1129 23.605,1130 0.035,1131 37.207,1132 16.953,1133 6636,1134 11970,1135 18.781,1136 28.608,1137 43.054,1138 45.104,1139 42.99,1140 43.122,1141 43.04,1142 57.853,1143 9.22,1144 129.037,1145 39.677,1146 5.802,1147 7.18,1148 6.913,1149 5.292,1150 5.316,1151 7.663,1152 5.9,1153 18.869,1154 5.004,1155 11.169,1156 1.538,1157 1.611,1158 1.535,1159 1.54,1160 1.537,1161 2.066,1162 0.329,1163 4.608,1164 1.417,1165 4.129,1166 4.164,1167 4.735,1168 4.1,1169 7.716,1170 4.023,1171 4.023,1172 4.012,1173 4.071,1174 3.885,1175 6.999,1176 3.888,1177 3.725,1178 3.784,1179 3.702,1180 3.594,1181 5.18,1182 3.541,1183 3.658,1184 3.657,1185 3.607,1186 3.49,1187 4.717,1188 3.506,1189 3.208,1190 3.277,1191 3.158,1192 2.974,1193 4.621,1194 3.004,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.419,1200 2.91,1201 2.911,1202 2.977,1203 2.839,1204 2.735,1205 4.036,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.664,1211 3.674,1212 2.69,1213 0.172,1214 0.185,1215 0.254,1216 0.15,1217 0.118,1218 4.802,1219 0.167,1220 5.18,1221 0.105,1222 7.111,1223 0.416,1224 4.188,1225 0.107,1226 3.316,1227 4.663,1228 2.95,1229 11.659,1230 3.004,1231 1.995,1232 2.001,1233 2.017,1234 2.089,1235 1.232,1236 2.097,1237 1.82,1238 1.789,1239 1.93,1240 1.985,1241 1.204,1242 1.998,1243 1.617,1244 1.592,1245 1.71,1246 1.825,1247 0.895,1248 1.826,1249 1.502,1250 1.48,1251 1.58,1252 1.678,1253 0.825,1254 1.697,1255 1.321,1256 1.237,1257 1.513,1258 1.6,1259 0.772,1260 1.583,1261 1.153,1262 1.064,1263 1.472,1264 1.376,1265 0.364,1266 1.429,1267 0.886,1268 0.821,1269 1.181,1270 1.106,1271 0.236,1272 1.107,1273 0.869,1274 0.812,1275 1.067,1276 1.062,1277 0.218,1278 1.088,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.595,1285 8.582,1286 6.605,1287 10.26,1289 1.185,1295 2.797,1297 5.407,1300 2.139,1305 27.599,1306 76.626,1307 158.059,1308 187.722,1309 191.722,1310 191.722,1311 191.722,1312 40.96,1313 7.452,1314 101.07,1315 109.45,1316 23,1317 12.596,1318 4.248,1319 3.459,1320 35.834,1321 85,1322 78,1323 0.208,1324 171.274,1325 284.62,1326 409.668,1327 16193,1329 17.441,1330 0.698,1331 0.578,1332 17.691,1333 14.454,1334 12.021,1335 0.429,1336 0.348,1337 7.873,1338 10.643,1339 7.543,1340 6.182,1341 12.915,1342 9.757,1343 11.626,1344 0.284,1345 0.192,1346 13.013,1347 7.884,1348 9.367,1349 0.173,1350 0.097,1351 10.124,1352 5.246,1353 7.877,1354 0.111,1355 0.048,1356 8.394,1357 3.433,1358 6.279,1359 0.069,1360 0.025,1361 6.636,1362 2.243,1363 0.32,1364 85.369,1365 0.231,1366 23.933,1367 0.591,1368 138,1369 452.98,1370 188.024,1371 450.592,1372 612.22,1373 418,1374 164,1375 427.248,1376 220.368,1377 461.292,1378 674.68,1379 431,1380 5.754}
{0 CHEMBL594218,1 1.694,2 9.28,3 1.557,4 2.425,5 87.213,6 8.081,7 0.552,8 3.91,9 4.013,10 3.563,11 3.365,12 4.989,13 3.403,14 4.481,15 4.637,16 3.931,17 3.755,18 5.553,19 3.784,20 4.649,21 4.838,22 3.951,23 3.855,24 5.677,25 3.844,26 4.569,27 4.773,28 3.845,29 3.82,30 5.571,31 3.788,32 4.569,33 4.783,34 3.817,35 3.82,36 5.551,37 3.774,38 4.578,39 4.791,40 3.793,41 3.784,42 5.579,43 3.741,44 4.506,45 4.723,46 3.644,47 3.648,48 5.524,49 3.598,50 4.346,51 4.573,52 3.417,53 3.464,54 5.261,55 3.389,56 0.103,57 0.676,58 7.728,59 3.45,60 5.026,61 4.184,62 0.48,63 1.074,64 17.131,65 5.775,66 24.61,67 6.928,68 0.679,69 1.212,70 22.069,71 7.106,72 32.883,73 9.252,74 0.424,75 1.203,76 19.256,77 6.369,78 25.757,79 8.766,80 0.46,81 1.173,82 19.787,83 6.564,84 27.377,85 9.387,86 0.473,87 1.163,88 19.856,89 6.29,90 27.379,91 8.988,92 0.526,93 1.009,94 19.217,95 5.934,96 32.989,97 8.309,98 0.395,99 0.796,100 17.184,101 5.979,102 23.821,103 8.31,105 41,106 0.294,107 0.629,108 0.744,109 0.805,110 0.813,111 0.821,112 3.268,113 0.861,114 -3.63,115 -3.6,116 -3.43,119 40.5,125 6,142 3,143 1,144 2,147 1,149 2,152 1,160 1,172 3,174 3,175 4,178 1,183 2,186 2,187 8,190 3,195 1,198 3,199 6,211 3,212 4,217 1,223 2,224 2,227 1,229 2,236 4,237 1,242 1,249 2,250 2,253 1,263 1,266 1,275 844,276 17.654,277 17.654,278 17.654,279 17.654,280 17.654,281 15.888,282 18.45,283 10.523,284 18.419,285 14.385,286 14.385,287 14.385,288 14.385,289 14.385,290 11.577,291 24.446,292 5.037,293 15.613,294 3.699,295 1.775,296 1.113,297 0.762,298 0.714,299 0.667,300 3.989,303 1,304 1,305 1,306 530,307 2,310 49.25,311 227.735,314 86.044,315 93.325,318 1.331,319 23.602,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 232,332 4.606,333 3.316,334 6.732,335 4.139,336 3.198,337 4.531,338 0.86,339 11.016,340 3.01,341 4.303,342 3.242,343 6.266,344 3.892,345 2.942,346 3.965,347 0.86,348 9.49,349 2.796,350 3.867,351 2.787,352 5.968,353 3.51,354 2.577,355 3.31,356 0.86,357 8.461,358 2.399,359 3.737,360 2.592,361 5.763,362 3.404,363 2.478,364 3.04,365 0.8,366 7.795,367 2.284,368 3.015,369 2.233,370 4.681,371 2.695,372 1.792,373 2.234,375 4.79,376 1.613,377 3.006,378 2.182,379 4.52,380 2.533,381 1.618,382 2.096,384 4.569,385 1.477,386 2.922,387 1.879,388 4.356,389 2.508,390 1.589,391 2.059,393 4.184,394 1.449,395 2.566,396 1.555,397 3.725,398 2.272,399 1.347,400 1.592,402 3.01,403 1.236,404 2.449,405 1.472,406 3.604,407 2.103,408 1.231,409 1.443,411 2.885,412 1.066,413 2.376,414 1.256,415 3.453,416 1.966,417 1.046,418 1.362,420 2.388,421 0.96,422 2,423 1.069,424 3.339,425 1.952,426 1,427 1,428 2.136,429 0.946,430 1.958,431 0.967,432 3.247,433 1.574,434 0.676,435 0.825,436 1.628,437 0.601,438 1.85,439 0.609,440 3.156,441 1.418,442 0.519,443 0.691,445 1.384,446 0.466,447 0.997,448 -0.007,449 2.715,450 0.578,451 -0.351,452 -0.442,454 -0.913,455 -0.322,456 0.836,457 -0.288,458 2.617,459 0.46,460 -0.46,461 -0.541,463 -1.188,464 -0.42,465 11.5,466 0.46,467 0.462,468 0.018,469 34.25,470 1.37,471 15.5,472 0.62,473 18.75,474 0.75,475 18.189,476 0.728,477 26.9,478 0.64,479 23.252,480 0.93,481 6.746,482 0.27,483 5.636,484 0.225,487 0.339,493 0.929,494 1.567,495 0.678,496 1.241,497 0.802,498 0.955,499 1.366,500 0.989,501 0.926,502 0.877,503 1.129,504 0.819,505 1.109,506 0.982,507 0.935,508 0.864,509 0.973,510 0.871,511 0.853,512 1.117,513 0.991,514 1.018,515 1.009,516 1.018,517 0.652,518 1.077,519 0.911,520 0.974,521 0.783,522 0.981,523 0.759,524 1.125,525 1.018,526 1.068,527 0.918,528 1.073,529 0.88,530 0.976,531 1.098,532 1.065,533 1.115,534 1.102,535 0.72,536 0.97,537 0.915,538 1.157,539 0.796,540 1.102,541 3.5,542 0.025,543 2.667,544 1,545 1.341,546 0.802,547 0.341,548 0.251,549 0.197,550 0.071,551 7454,552 19895,553 2.277,554 40.5,556 15,558 1,559 1,564 1.684,565 2.239,566 3.205,567 -0.238,568 1,569 1,571 1,573 71.139,574 1.694,575 3.618,576 4.279,577 4.63,578 4.678,579 4.726,580 2.649,581 4.244,582 4.617,583 3.311,584 993.185,585 8.005,586 11582.9,587 1,588 1,590 1,591 226.477,592 0.904,593 4.616,594 0.121,595 0.003,596 0.065,597 0.024,598 0.036,599 0.022,600 0.01,601 0.009,602 0.009,603 0.004,604 0.303,605 0.5,606 0.88,608 118.325,609 -0.088,610 -0.381,611 0.088,612 -0.199,613 -0.016,614 -0.044,615 -0.187,616 0.093,617 -0.014,618 0.085,619 -0.073,620 0.071,621 -0.018,622 0.025,623 0.026,624 0.107,625 0.051,626 0.072,627 -0.089,628 -0.031,629 -0.089,630 -0.061,631 -0.112,632 -0.073,633 0.054,634 -0.022,635 0.004,636 0.003,637 0.041,638 -0.003,639 0.013,640 -0.063,641 -0.095,642 -0.117,643 -0.033,644 -0.12,645 0.04,646 0.039,647 -0.134,648 -0.12,649 -0.095,650 -0.149,651 0.174,652 -0.067,653 0.085,654 -0.14,655 0.102,656 -0.063,657 1.043,658 2.175,659 1,660 18.73,661 1.019,662 1.134,663 2.4,664 5.759,665 0.666,666 3.401,667 3.738,668 4.078,669 4.394,670 4.673,671 4.787,672 4.99,673 5.153,674 5.278,675 5.357,676 5.496,677 0.653,678 339.39,679 3.401,680 4.949,681 5.826,682 6.718,683 7.611,684 8.511,685 9.41,686 10.313,687 11.216,688 12.121,689 11.9,695 1,697 1,699 3,703 2,704 4,705 3,706 1,709 5,711 16,726 1,729 2,731 42,733 16,734 1,735 29,737 46,738 17,739 11,740 3,741 3,746 5,747 7,761 11,762 6,777 1,778 1,781 17,782 7,783 1,784 8,787 1,790 5,794 0.6,795 3,806 1,811 1,812 4,815 1,816 1,839 1,840 3,848 25,854 6,856 3,859 1,870 7.1,874 1,875 2,877 11.167,878 7.633,879 5.389,880 2.574,881 3.193,882 1.406,883 1.039,884 3.776,885 11.051,886 3.638,887 4.259,888 4.919,889 5.563,890 6.133,891 6.554,892 7.054,893 7.51,894 7.851,895 8.238,896 1,897 41,898 9.232,900 4.012,901 7.607,902 17.825,904 14.949,905 2.107,906 52.667,910 188.338,911 81.816,912 70.266,914 33,917 81.816,918 221.337,919 70.266,921 22.581,922 28.429,923 81.746,924 59.625,925 4.472,926 176.567,928 188.338,929 152.082,930 33,933 192.381,934 22,935 11,937 47.985,938 49.698,939 50.357,941 188.338,942 103.266,943 81.816,946 188.338,947 44.769,948 40.172,949 16.786,950 83.356,951 188.338,952 103.266,953 81.816,955 0.579,956 0.348,957 0.201,958 0.112,959 23,960 8,961 0.043,962 2,963 2,964 1.16,965 3.788,966 225.499,967 0.16,968 25,969 112.096,974 15.079,975 6.261,976 2.742,977 1.504,978 86.481,979 7.42,980 13.737,981 3.151,984 3.837,986 16.786,987 373.42,988 37,999 42.793,1000 47.611,1001 0.314,1002 0.671,1003 0.794,1004 0.859,1005 0.868,1006 0.876,1007 4.883,1008 1.347,1009 5.796,1010 4.184,1011 4.419,1012 4.945,1013 1.856,1014 6.627,1015 4.269,1016 6.073,1017 1.231,1018 7.356,1019 3.01,1020 3.892,1021 4.745,1022 0.325,1023 7.535,1024 3.712,1025 7.383,1026 1.046,1027 9.019,1028 2.885,1029 6.019,1030 7.191,1031 1.557,1032 10.681,1033 5.747,1034 8.734,1035 1,1036 10.747,1037 2.388,1038 6.382,1039 7.905,1040 0.268,1041 12.446,1042 6.079,1043 10.124,1044 0.676,1045 12.516,1046 2.136,1047 7.918,1048 9.78,1049 1.308,1050 15.078,1051 7.538,1052 11.54,1053 0.519,1054 14.312,1055 1.628,1056 8.694,1057 10.906,1058 0.188,1059 17.184,1060 8.273,1061 12.976,1062 -0.351,1063 16.127,1064 1.384,1065 9.986,1066 12.554,1067 1.087,1068 19.643,1069 9.499,1070 3.198,1071 -0.46,1072 17.955,1073 -0.913,1074 10.955,1075 13.873,1076 0.125,1077 21.897,1078 10.419,1079 2.942,1080 11.016,1081 19.794,1082 -1.188,1083 12.149,1084 15.428,1085 0.89,1086 24.298,1087 11.551,1088 2.577,1089 9.49,1090 21.641,1091 4.531,1092 13.208,1093 16.839,1094 0.082,1095 26.619,1096 12.556,1097 2.478,1098 8.461,1099 23.494,1100 3.965,1101 14.363,1102 18.357,1103 0.718,1104 29.003,1105 13.653,1106 1.792,1107 7.795,1108 25.352,1109 3.31,1110 15.465,1111 19.813,1112 0.054,1113 31.357,1114 14.698,1115 1.618,1116 4.79,1117 27.214,1118 3.04,1119 16.609,1120 21.318,1121 0.571,1122 33.739,1123 15.783,1124 1.589,1125 4.569,1126 29.08,1127 2.234,1128 17.732,1129 22.797,1130 0.035,1131 36.111,1132 16.848,1133 6742,1134 11154,1135 20.572,1136 27.96,1137 44.14,1138 44.62,1139 44.104,1140 43.993,1141 44.026,1142 56.297,1143 6.76,1144 127.471,1145 40.609,1146 5.606,1147 5.316,1148 6.534,1149 5.279,1150 5.198,1151 7.531,1152 1.72,1153 18.226,1154 5.01,1156 1.522,1157 1.539,1158 1.521,1159 1.517,1160 1.518,1161 1.941,1162 0.233,1163 4.396,1164 1.4,1165 4.107,1166 4.157,1167 4.084,1168 3.945,1169 5.184,1170 3.973,1171 3.909,1172 3.927,1173 3.864,1174 3.777,1175 4.935,1176 3.797,1177 3.724,1178 3.784,1179 3.608,1180 3.493,1181 4.63,1182 3.511,1183 3.48,1184 3.527,1185 3.376,1186 3.273,1187 4.539,1188 3.288,1189 3.203,1190 3.275,1191 3.115,1192 2.984,1193 4.233,1194 3.01,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.192,1200 2.91,1201 2.933,1202 2.987,1203 2.854,1204 2.731,1205 4.018,1206 2.741,1207 2.864,1208 2.914,1209 2.757,1210 2.657,1211 3.596,1212 2.675,1213 0.159,1214 0.114,1215 0.232,1216 0.143,1217 0.11,1218 4.606,1219 0.156,1220 3.316,1221 0.03,1222 6.732,1223 0.38,1224 4.139,1225 0.104,1226 3.198,1227 4.531,1228 0.86,1229 11.016,1230 3.01,1231 1.94,1232 1.919,1233 2.012,1234 2.088,1235 1.216,1236 2.063,1237 1.785,1238 1.745,1239 1.931,1240 1.981,1241 1.122,1242 1.965,1243 1.584,1244 1.534,1245 1.736,1246 1.82,1247 0.941,1248 1.799,1249 1.411,1250 1.358,1251 1.649,1252 1.666,1253 0.825,1254 1.652,1255 1.319,1256 1.235,1257 1.513,1258 1.583,1259 0.804,1260 1.573,1261 1.153,1262 1.064,1263 1.47,1264 1.376,1265 0.361,1266 1.429,1267 0.91,1268 0.87,1269 1.135,1270 1.108,1271 0.23,1272 1.11,1273 0.796,1274 0.755,1275 1.063,1276 1.104,1277 0.193,1278 1.086,1279 4.078,1281 5.407,1282 2.398,1283 6.95,1284 4.595,1285 8.588,1286 6.605,1287 10.276,1295 4.105,1297 16.712,1300 2.202,1305 27.412,1306 71.139,1307 151.948,1308 179.722,1309 194.477,1310 196.477,1311 198.477,1312 27.569,1313 7.858,1314 85.39,1315 85.39,1316 29,1317 12.64,1318 4.087,1319 3.17,1320 31.944,1321 82,1322 80,1323 0.191,1324 162.342,1325 271.05,1326 387.874,1327 28088,1329 16.64,1330 0.666,1331 0.543,1332 16.64,1333 13.566,1334 12.382,1335 0.427,1336 0.287,1337 8.123,1338 11.629,1339 8.052,1340 6.527,1341 12.382,1342 8.322,1343 11.026,1344 0.269,1345 0.145,1346 11.026,1347 5.93,1348 9.95,1349 0.172,1350 0.075,1351 9.95,1352 4.378,1353 8.758,1354 0.109,1355 0.039,1356 8.758,1357 3.133,1358 7.403,1359 0.07,1360 0.02,1361 7.403,1362 2.154,1363 0.292,1364 79.409,1365 0.22,1366 23.839,1367 0.55,1368 140,1369 448.12,1370 160.15,1371 414.904,1372 582.25,1373 396,1374 169,1375 439.433,1376 191.066,1377 434.969,1378 651.61,1379 412,1380 5.459}
{0 CHEMBL594244,1 1.724,2 15.024,3 3.372,4 11.371,5 157.606,6 7.866,7 0.34,8 4.456,9 4.569,10 4.203,11 4.005,12 5.405,13 3.961,14 5.067,15 5.243,16 4.541,17 4.422,18 6.175,19 4.356,20 5.333,21 5.546,22 4.548,23 4.558,24 6.282,25 4.458,26 5.346,27 5.579,28 4.5,29 4.553,30 6.311,31 4.433,32 5.3,33 5.531,34 4.48,35 4.537,36 6.299,37 4.411,38 5.176,39 5.375,40 4.518,41 4.554,42 6.086,43 4.432,44 5.192,45 5.378,46 4.495,47 4.555,48 6.132,49 4.432,50 5.271,51 5.506,52 4.445,53 4.503,54 6.207,55 4.374,56 0.117,57 1.25,58 19.074,59 7.469,60 16.674,61 9.267,62 0.695,63 2.062,64 37.848,65 12.995,66 71.72,67 16.444,68 0.897,69 2.483,70 57.017,71 16.575,72 77.724,73 21.454,74 0.668,75 2.447,76 54.772,77 17.849,78 82.023,79 23.454,80 0.924,81 2.348,82 57.116,83 17.794,84 97.432,85 22.285,86 0.542,87 2.294,88 48.635,89 16.72,90 42.369,91 20.732,92 0.41,93 2.288,94 47.04,95 17.025,96 43.895,97 21.059,98 0.686,99 2.321,100 50.192,101 16.835,102 66.356,103 22.405,104 18,105 70,106 0.264,107 0.574,108 0.743,109 0.813,110 0.813,111 0.813,112 3.742,113 1.085,114 -3.32,115 -3.3,116 -3.16,119 36.8,121 4,124 1,125 7,127 3,142 5,143 1,144 1,146 1,147 1,149 1,152 2,159 1,172 6,174 5,175 5,178 2,179 1,180 4,183 5,186 2,187 11,192 2,195 2,198 1,199 11,204 5,207 1,211 4,212 6,217 2,220 3,223 2,224 6,227 2,229 1,232 10,236 1,237 5,245 10,249 3,250 8,253 3,255 1,258 6,262 3,263 6,268 1,271 4,275 3820,276 27.604,277 27.604,278 27.604,279 27.604,280 27.604,281 25.357,282 38.478,283 15.799,284 28.441,285 23.304,286 23.304,287 23.304,288 23.304,289 23.304,290 19.645,291 58.241,292 7.661,293 24.778,294 4.523,295 2.491,296 1.387,297 0.931,298 0.931,299 0.931,300 4.457,306 1386,307 4.301,308 87.258,310 197.623,311 508.704,312 131.634,314 181.773,318 2.469,319 46.754,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 89.5,331 616,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.578,338 1.656,339 11.657,340 3.077,341 4.64,342 3.566,343 6.761,344 4.163,345 3.236,346 4.51,347 0.916,348 11.149,349 2.996,350 4.171,351 3.392,352 6.116,353 3.812,354 2.869,355 3.791,356 0.86,357 8.995,358 2.732,359 3.958,360 3.145,361 5.966,362 3.755,363 2.803,364 3.289,365 0.8,366 8.685,367 2.65,368 3.887,369 2.967,370 5.633,371 3.69,372 2.725,373 3.135,374 0.4,375 7.82,376 2.61,377 3.712,378 2.783,379 5.593,380 3.495,381 2.563,382 2.864,383 0.247,384 7.66,385 2.384,386 3.622,387 2.673,388 5.433,389 3.388,390 2.427,391 2.762,392 0.172,393 7.109,394 2.318,395 3.488,396 2.614,397 5.384,398 3.244,399 2.322,400 2.625,402 7.068,403 2.137,404 3.316,405 2.417,406 4.939,407 2.951,408 1.969,409 2.422,411 5.681,412 1.925,413 3.18,414 2.274,415 4.879,416 2.839,417 1.879,418 2.319,420 5.638,421 1.794,422 2.879,423 2.093,424 4.711,425 2.808,426 1.866,427 2.014,428 5.181,429 1.733,430 2.876,431 1.967,432 4.594,433 2.455,434 1.545,435 1.879,436 4.583,437 1.4,438 2.697,439 1.567,440 4.55,441 2.37,442 1.456,443 1.732,445 4.481,446 1.319,447 2.684,448 1.459,449 4.365,450 2.303,451 1.363,452 1.676,454 4.04,455 1.271,456 2.5,457 1.146,458 3.629,459 2,460 1,461 1.5,463 2.275,464 1,465 19.8,466 0.483,467 1.253,468 0.031,469 48.25,470 1.177,471 19.5,472 0.476,473 28.75,474 0.701,475 45.183,476 1.102,477 45.6,478 0.6,479 38.736,480 0.945,481 8.434,482 0.206,483 11.329,484 0.276,485 0.076,486 0.042,487 0.338,493 0.678,494 1.517,495 0.776,496 1.191,497 0.599,498 0.999,499 0.841,500 1.106,501 0.943,502 0.978,503 0.484,504 0.949,505 1.258,506 1.079,507 1.151,508 1.034,509 1.016,510 0.987,511 0.969,512 1.074,513 0.94,514 0.978,515 1.067,516 0.983,517 1.068,518 0.869,519 1.119,520 0.911,521 1.225,522 0.865,523 0.708,524 1.007,525 1.196,526 1.17,527 0.538,528 1.052,529 0.771,530 1.281,531 1.086,532 1.224,533 0.668,534 1.224,535 0.645,536 0.997,537 0.912,538 1.027,539 0.462,540 1.056,541 11,542 0.329,543 4.056,544 2.757,545 1.885,546 1.66,547 0.886,548 0.727,549 0.48,550 0.459,551 31434,552 81012,553 2.183,554 46.1,556 25,559 2,561 8,564 1.809,565 2.059,566 3.812,567 0.21,573 131.06,574 1.724,575 3.757,576 4.861,577 5.317,578 5.317,579 5.317,580 3.343,581 4.851,582 5.318,583 4.064,584 3332.53,585 9.42,586 59317,591 474.842,592 1.469,593 5.293,594 0.234,595 0.006,596 0.061,597 0.042,598 0.03,599 0.027,600 0.014,601 0.012,602 0.008,603 0.009,604 0.443,605 0.33,606 0.63,607 0.589,608 233.716,609 0.032,610 -0.262,611 0.171,612 -0.073,613 -0.078,614 0.013,615 0.145,616 0.045,617 0.018,618 0.024,619 0.242,620 0.006,621 -0.178,622 -0.028,623 -0.108,624 -0.016,625 -0.1,626 -0.02,627 -0.077,628 -0.08,629 0.012,630 -0.004,631 -0.061,632 0.008,633 -0.079,634 0.149,635 -0.028,636 0.146,637 -0.118,638 0.131,639 -0.025,640 0.122,641 -0.093,642 -0.028,643 -0.046,644 -0.022,645 -0.061,646 -0.187,647 -0.126,648 -0.16,649 -0.074,650 -0.202,651 0.089,652 0.029,653 0.013,654 -0.06,655 0.077,656 -0.059,657 4.072,658 5.153,659 0.78,660 61.224,661 1.007,662 1.131,663 2.088,664 4.36,665 0.669,666 3.871,667 4.263,668 4.5,669 4.804,670 5.063,671 5.257,672 5.485,673 5.684,674 5.881,675 6.118,676 8.9,677 0.628,678 597.84,679 3.871,680 5.46,681 6.326,682 7.232,683 8.113,684 9.02,685 9.909,686 10.817,687 11.712,688 12.622,689 9.2,692 2,695 1,696 2,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,731 76,733 19,734 1,735 47,737 82,738 28,739 12,740 2,741 4,746 7,747 9,751 1,755 7,758 7,761 13,762 15,766 3,769 1,771 3,775 1,781 35,782 11,783 2,784 13,785 2,790 7,794 0.714,795 4,801 1,806 1,809 1,811 2,812 4,813 1,815 1,836 1,839 1,840 5,842 2,844 1,848 41,852 1,854 11,855 2,856 1,858 3,859 3,865 1,870 5.3,873 3,874 1,877 19.917,878 13.667,879 8.444,880 4.747,881 3.137,882 1.344,883 1.026,884 7.506,885 12.254,886 4.078,887 4.689,888 5.155,889 5.753,890 6.303,891 6.745,892 7.272,893 7.766,894 8.14,895 8.592,896 1,897 65,898 15.468,900 7.051,901 7.697,902 30.011,904 26.653,905 2.197,906 90.083,910 388.446,911 135.657,912 77.36,914 80.458,916 37.085,917 98.572,918 468.904,919 77.36,920 7.19,921 60.9,922 53.189,923 114.029,924 18.182,925 8.708,926 419.724,928 388.446,929 175.932,930 80.458,931 37.085,933 296.605,934 163.627,935 11,937 67.687,938 72.346,939 39.378,940 31.278,941 388.446,942 157.818,943 135.657,945 5.807,946 388.446,947 75.278,948 62.339,949 36.022,950 114.029,951 388.446,952 157.818,953 135.657,955 0.602,956 0.326,957 0.172,958 0.092,959 38,960 16,961 0.085,962 7,963 3,964 1.156,965 5.172,966 435.907,967 0.188,968 31,969 201.66,970 1,973 1,974 27.627,975 11.139,976 6.432,977 2,978 157.818,979 9.841,980 10.096,983 1.728,984 4.424,986 36.022,987 681.921,988 58,991 -3.156,993 35.996,997 -0.175,999 76.545,1000 85.979,1001 0.276,1002 0.601,1003 0.778,1004 0.851,1005 0.851,1006 0.851,1007 5.38,1008 2.322,1009 6.351,1010 7.109,1011 4.949,1012 5.378,1013 2.309,1014 7.198,1015 4.826,1016 6.603,1017 1.969,1018 7.935,1019 7.068,1020 4.745,1021 5.46,1022 1.404,1023 8.261,1024 4.553,1025 7.943,1026 1.879,1027 9.618,1028 5.681,1029 6.629,1030 7.614,1031 2.621,1032 11.28,1033 6.38,1034 9.315,1035 1.866,1036 11.36,1037 5.638,1038 7.171,1039 8.498,1040 2.398,1041 13.134,1042 6.843,1043 10.721,1044 1.545,1045 13.141,1046 5.181,1047 8.59,1048 10.23,1049 3.311,1050 15.734,1051 8.206,1052 12.15,1053 1.456,1054 14.951,1055 4.583,1056 9.464,1057 11.462,1058 3.429,1059 17.924,1060 8.996,1061 13.598,1062 1.363,1063 16.783,1064 4.481,1065 10.712,1066 13.051,1067 4.176,1068 20.398,1069 10.183,1070 3.314,1071 1,1072 18.633,1073 4.04,1074 11.74,1075 14.436,1076 4.471,1077 22.73,1078 11.127,1079 3.236,1080 11.657,1081 20.498,1082 2.275,1083 12.926,1084 15.973,1085 5.117,1086 25.17,1087 12.246,1088 2.869,1089 11.149,1090 22.377,1091 4.578,1092 14.028,1093 17.427,1094 5.506,1095 27.562,1096 13.266,1097 2.803,1098 8.995,1099 24.266,1100 4.51,1101 15.196,1102 18.946,1103 6.093,1104 29.995,1105 14.361,1106 2.725,1107 8.685,1108 26.164,1109 3.791,1110 16.333,1111 20.43,1112 6.532,1113 32.412,1114 15.418,1115 2.563,1116 7.82,1117 28.07,1118 3.289,1119 17.499,1120 21.943,1121 7.084,1122 34.847,1123 16.508,1124 2.427,1125 7.66,1126 29.983,1127 3.135,1128 18.656,1129 23.442,1130 7.551,1131 37.276,1132 17.584,1133 28447,1134 45865,1135 32.016,1136 50.813,1137 72.027,1138 74.504,1139 72.528,1140 71.852,1141 71.874,1142 87.861,1143 10.104,1144 217.133,1145 67.496,1146 5.743,1147 6.375,1148 6.525,1149 5.391,1150 5.314,1151 7.578,1152 2.912,1153 18.947,1154 5.077,1155 18.544,1156 1.532,1157 1.585,1158 1.543,1159 1.529,1160 1.529,1161 1.869,1162 0.215,1163 4.62,1164 1.436,1165 4.122,1166 4.148,1167 4.722,1168 4.08,1169 7.716,1170 4.04,1171 4.005,1172 4.002,1173 4.338,1174 3.953,1175 7.431,1176 3.832,1177 3.92,1178 3.969,1179 3.891,1180 3.838,1181 6.999,1182 3.823,1183 3.892,1184 3.932,1185 3.807,1186 3.753,1187 5.049,1188 3.749,1189 3.844,1190 3.874,1191 3.761,1192 3.735,1193 4.702,1194 3.732,1195 3.652,1196 3.683,1197 3.606,1198 3.485,1199 4.66,1200 3.462,1201 3.4,1202 3.445,1203 3.421,1204 3.222,1205 4.388,1206 3.229,1207 3.306,1208 3.368,1209 3.247,1210 3.066,1211 4.339,1212 3.099,1213 0.101,1214 0.093,1215 0.151,1216 0.09,1217 0.071,1218 4.743,1219 0.097,1220 4.375,1221 0.035,1222 7.111,1223 0.248,1224 4.248,1225 0.065,1226 3.314,1227 4.578,1228 1.656,1229 11.657,1230 3.077,1231 1.946,1232 1.918,1233 2.023,1234 2.064,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.255,1242 2.05,1243 1.776,1244 1.743,1245 1.886,1246 1.94,1247 1.219,1248 1.931,1249 1.626,1250 1.611,1251 1.86,1252 1.79,1253 1.106,1254 1.819,1255 1.604,1256 1.543,1257 1.72,1258 1.76,1259 0.989,1260 1.798,1261 1.562,1262 1.526,1263 1.602,1264 1.745,1265 0.867,1266 1.751,1267 1.402,1268 1.379,1269 1.559,1270 1.66,1271 0.833,1272 1.635,1273 1.38,1274 1.326,1275 1.513,1276 1.506,1277 0.825,1278 1.557,1279 4.554,1280 1.946,1281 5.927,1282 4.111,1283 7.471,1284 6.107,1285 9.092,1286 8.017,1287 10.756,1289 1.278,1295 9.098,1296 5.845,1297 6.112,1299 0.774,1300 6.223,1305 47.758,1306 131.06,1307 285.507,1308 369.458,1309 404.088,1310 404.088,1311 404.088,1312 76.147,1313 9.116,1314 120,1315 156.62,1316 37,1317 13.14,1318 4.322,1319 3.585,1320 54.157,1321 214,1322 244,1323 0.12,1324 289.99,1325 501.8,1326 699.336,1327 126594,1329 28.139,1330 0.686,1331 0.603,1332 28.743,1333 24.716,1334 19.763,1335 0.42,1336 0.362,1337 14.338,1338 17.713,1339 13.839,1340 11.259,1341 21.066,1342 16.995,1343 19.553,1344 0.279,1345 0.21,1346 21.583,1347 14.668,1348 15.281,1349 0.172,1350 0.116,1351 16.825,1352 10.361,1353 13.21,1354 0.109,1355 0.064,1356 14.665,1357 7.794,1358 10.701,1359 0.068,1360 0.035,1361 11.949,1362 5.466,1363 0.19,1364 137.372,1365 0.177,1366 36.852,1367 0.324,1368 234,1369 653.554,1370 318.962,1371 662.436,1372 908.27,1373 618,1374 279,1375 635.628,1376 369.963,1377 684.742,1378 1008.99,1379 644,1380 6.747}
{0 CHEMBL594350,1 1.628,2 8.667,3 3.122,4 9.749,5 95.329,6 8.059,7 0.571,8 3.878,9 3.989,10 3.58,11 3.49,12 4.905,13 3.449,14 4.448,15 4.599,16 3.99,17 3.922,18 5.436,19 3.863,20 4.71,21 4.916,22 3.981,23 3.984,24 5.637,25 3.897,26 4.651,27 4.904,28 3.831,29 3.907,30 5.518,31 3.789,32 4.502,33 4.718,34 3.856,35 3.895,36 5.394,37 3.783,38 4.46,39 4.617,40 3.948,41 3.956,42 5.455,43 3.841,44 4.542,45 4.741,46 3.721,47 3.9,48 5.449,49 3.751,50 4.441,51 4.688,52 3.258,53 3.643,54 5.251,55 3.449,56 0.019,57 0.661,58 8.457,59 3.904,60 7.633,61 4.767,62 0.148,63 1.13,64 17.78,65 7.196,66 15.963,67 8.638,68 0.343,69 1.4,70 26.617,71 8.799,72 30.16,73 11.339,74 0.243,75 1.337,76 24.781,77 8.52,78 28.324,79 11.474,80 0.224,81 1.174,82 24.308,83 8.435,84 19.955,85 10.323,86 0.179,87 1.165,88 20.311,89 7.972,90 22.124,91 9.303,92 0.188,93 1.179,94 25.594,95 9.4,96 22.418,97 11.213,98 0.164,99 0.981,100 21.341,101 8.28,102 22.808,103 10.768,104 2,105 41,106 0.283,107 0.646,108 0.765,109 0.796,110 0.796,111 0.796,112 3.23,113 0.981,114 -4.25,115 -4.19,116 -3.96,119 42.9,121 2,125 2,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,163 1,164 1,165 1,172 5,174 2,175 5,180 2,183 5,185 2,186 1,187 9,192 2,195 2,197 2,198 1,199 7,204 1,207 1,209 1,211 1,212 4,220 3,224 3,226 2,227 2,232 6,236 1,237 4,245 6,250 2,252 1,253 1,255 1,258 4,260 1,263 2,268 1,271 4,273 1,275 766,276 16.635,277 16.635,278 16.635,279 16.635,280 16.635,281 14.817,282 15.774,283 9.633,284 17.165,285 13.88,286 13.88,287 13.88,288 13.88,289 13.88,290 11.13,291 21.609,292 4.654,293 14.809,294 3.765,295 1.675,296 0.991,297 0.81,298 0.81,299 0.81,300 3.946,303 1,304 1,305 1,306 478,307 2.121,310 95.863,311 172.098,312 63.969,314 84.81,318 1.278,319 16.969,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51,331 208,332 4.605,333 3.377,334 6.74,335 4.138,336 3.209,337 4.53,338 0.86,339 11.052,340 2.979,341 4.134,342 3.09,343 6.113,344 3.801,345 2.857,346 3.758,347 0.8,348 8.984,349 2.71,350 3.907,351 2.774,352 5.906,353 3.671,354 2.714,355 3.122,357 8.454,358 2.572,359 3.656,360 2.52,361 5.497,362 3.235,363 2.291,364 3.06,366 7.161,367 2.184,368 3.522,369 2.352,370 5.045,371 3.214,372 2.27,373 2.692,375 6.092,376 2.115,377 2.965,378 2.093,379 4.879,380 2.839,381 1.879,382 2.18,384 5.638,385 1.794,386 2.879,387 1.58,388 4.577,389 2.408,390 1.491,391 1.879,393 4.418,394 1.368,395 2.697,396 1.511,397 4.379,398 2.366,399 1.441,400 1.732,402 4.155,403 1.317,404 2.539,405 1.055,406 3.564,407 2,408 1.05,409 1.558,411 2.409,412 1,413 2.5,414 1,415 3.414,416 1.932,417 1,418 1.5,420 2.275,421 0.904,422 1.993,423 0.964,424 3.413,425 1.651,426 0.72,427 0.823,428 1.775,429 0.662,430 1.688,431 0.618,432 3.267,433 1.415,434 0.537,435 0.655,436 1.476,437 0.464,438 1.166,439 -0.052,440 2.774,441 0.783,442 -0.171,443 -0.217,445 -0.385,446 -0.162,447 0.902,448 -0.075,449 2.653,450 0.602,451 -0.347,452 -0.347,454 -1.042,455 -0.327,456 0.653,457 -0.289,458 2.583,459 0.481,460 -0.431,461 -0.517,463 -1.312,464 -0.39,465 11.767,466 0.49,467 0.585,468 0.024,469 31.5,470 1.313,471 15,472 0.625,473 16.5,474 0.688,475 19.87,476 0.828,477 24.833,478 0.591,479 19.687,480 0.82,481 5.639,482 0.235,483 6.121,484 0.255,485 0.034,487 0.374,493 0.936,494 1.174,495 0.716,496 0.886,497 1.045,498 0.841,499 1.182,500 1.068,501 0.883,502 0.949,503 0.764,504 0.908,505 1.385,506 1.206,507 0.932,508 0.982,509 1.081,510 0.994,511 0.897,512 0.913,513 0.786,514 0.746,515 0.902,516 0.846,517 0.839,518 0.893,519 1.115,520 0.951,521 0.775,522 0.815,523 0.919,524 1.027,525 1.249,526 1.225,527 0.906,528 1.166,529 0.889,530 1.118,531 1.448,532 1.387,533 0.883,534 1.238,535 0.817,536 1.016,537 1.089,538 1.183,539 0.917,540 1.268,541 5,542 0.063,543 2.444,544 1.16,545 1.043,546 0.83,547 0.372,548 0.239,549 0.223,550 0.077,551 6556,552 15601,553 2.262,554 42.9,556 11,557 1,559 2,561 4,564 1.674,565 2.182,566 3.095,567 0.296,568 1,569 1,571 1,573 68.36,574 1.628,575 3.718,576 4.402,577 4.583,578 4.583,579 4.583,580 2.507,581 4.054,582 4.557,583 3.221,584 888.999,585 7.891,586 10029.9,587 1,588 1,590 1,591 226.477,592 1.175,593 4.543,594 0.179,595 0.013,596 0.06,597 0.031,598 0.032,599 0.024,600 0.011,601 0.008,602 0.013,603 0.006,604 0.375,605 0.33,606 0.88,607 0.382,608 111.448,609 -0.061,610 -0.075,611 0.075,612 0.037,613 -0.122,614 0.051,615 -0.021,616 -0.009,617 0.013,618 -0.001,619 0.098,620 -0.001,621 -0.089,622 -0.219,623 -0.02,624 -0.068,625 -0.035,626 -0.066,627 -0.053,628 0.093,629 0.099,630 0.137,631 -0.012,632 0.108,633 0.004,634 0.152,635 0.021,636 0.131,637 0.017,638 0.174,639 -0.046,640 0.066,641 -0.165,642 -0.143,643 -0.079,644 -0.22,645 -0.024,646 -0.114,647 -0.286,648 -0.262,649 -0.064,650 -0.234,651 -0.008,652 -0.14,653 -0.166,654 -0.213,655 -0.059,656 -0.244,657 0.992,658 2.475,659 0.958,660 16.826,661 1,662 1.12,663 3.025,664 9.15,665 0.701,666 3.367,667 3.738,668 4.06,669 4.394,670 4.654,671 4.828,672 5.004,673 5.159,674 5.293,675 5.389,676 5.227,677 0.659,678 338.47,679 3.367,680 4.934,681 5.814,682 6.718,683 7.613,684 8.522,685 9.424,686 10.335,687 11.242,688 12.154,689 9.5,693 1,695 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,722 1,726 1,731 42,733 16,734 1,735 28,737 46,738 18,739 12,740 2,741 4,746 5,747 7,755 4,758 4,761 12,762 6,777 1,778 1,781 18,782 5,783 2,784 6,785 1,790 4,794 0.6,795 1,801 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,848 24,849 1,854 4,856 1,858 2,859 1,865 1,870 2.4,874 1,877 11,878 7.433,879 5.028,880 2.596,881 3.02,882 1.39,883 1.064,884 3.456,885 10.769,886 3.611,887 4.245,888 4.874,889 5.508,890 6.061,891 6.475,892 6.96,893 7.416,894 7.728,895 8.089,896 0.833,897 38,898 8.891,900 3.937,901 7.5,902 17.523,904 15.432,905 2,906 48,909 1,910 188.338,911 109.077,912 69.593,914 11,916 31.278,917 77.799,918 199.338,919 69.593,921 9.28,922 87.927,923 44.571,924 13.539,925 14.845,926 207.844,928 188.338,929 147.391,930 11,931 31.278,933 143.581,934 47.084,935 11,937 11.425,938 100.068,939 33.571,940 31.278,941 188.338,942 80.592,943 109.077,946 188.338,947 54.046,948 58.155,950 77.468,951 188.338,952 80.592,953 109.077,955 0.593,956 0.347,957 0.194,958 0.107,959 24,960 9,961 0.043,962 2,963 3,964 1.217,965 3.675,966 216.152,967 0.261,968 22,969 100.039,970 1,974 14.614,975 5.675,976 2.597,977 2.172,978 80.592,979 11.91,980 9.667,983 1.709,984 3.548,986 32.897,987 378.007,988 36,999 41.996,1000 47.029,1001 0.302,1002 0.689,1003 0.816,1004 0.85,1005 0.85,1006 0.85,1007 4.875,1008 1.441,1009 5.808,1010 4.418,1011 4.419,1012 4.931,1013 1.235,1014 6.645,1015 4.293,1016 6.078,1017 1.05,1018 7.375,1019 4.155,1020 4.007,1021 4.732,1022 0.325,1023 7.535,1024 3.822,1025 7.388,1026 1,1027 9.036,1028 2.409,1029 6.038,1030 7.15,1031 0.938,1032 10.661,1033 5.793,1034 8.733,1035 0.72,1036 10.753,1037 2.275,1038 6.447,1039 7.828,1040 0.268,1041 12.387,1042 6.125,1043 10.111,1044 0.537,1045 12.506,1046 1.775,1047 7.931,1048 9.705,1049 0.732,1050 15.021,1051 7.56,1052 11.514,1053 -0.171,1054 14.286,1055 1.476,1056 8.721,1057 10.804,1058 0.188,1059 17.11,1060 8.263,1061 12.935,1062 -0.347,1063 16.085,1064 -0.385,1065 9.988,1066 12.461,1067 0.57,1068 19.576,1069 9.478,1070 3.209,1071 -0.431,1072 17.9,1073 -1.042,1074 10.961,1075 13.768,1076 0.125,1077 21.829,1078 10.364,1079 2.857,1080 11.052,1081 19.726,1082 -1.312,1083 12.141,1084 15.331,1085 0.438,1086 24.24,1087 11.485,1088 2.714,1089 8.984,1090 21.563,1091 4.53,1092 13.202,1093 16.74,1094 0.082,1095 26.568,1096 12.461,1097 2.291,1098 8.454,1099 23.409,1100 3.758,1101 14.352,1102 18.266,1103 0.334,1104 28.962,1105 13.546,1106 2.27,1107 7.161,1108 25.262,1109 3.122,1110 15.455,1111 19.725,1112 0.054,1113 31.326,1114 14.567,1115 1.879,1116 6.092,1117 27.121,1118 3.06,1119 16.598,1120 21.237,1121 0.252,1122 33.718,1123 15.639,1124 1.491,1125 5.638,1126 28.986,1127 2.692,1128 17.723,1129 22.72,1130 0.035,1131 36.099,1132 16.684,1133 5948,1134 9300,1135 19.592,1136 29.455,1137 43.314,1138 43.023,1139 43.304,1140 42.883,1141 42.916,1142 54.976,1143 3.32,1144 127.776,1145 40.142,1146 5.605,1147 5.377,1148 6.225,1149 5.248,1150 5.209,1151 7.53,1152 1.72,1153 18.308,1154 4.979,1155 6.394,1156 1.547,1157 1.537,1158 1.547,1159 1.532,1160 1.533,1161 1.963,1162 0.119,1163 4.563,1164 1.434,1165 4.093,1166 4.121,1167 4.318,1168 4.052,1169 5.132,1170 4.016,1171 3.897,1172 3.936,1173 3.861,1174 3.821,1175 5.016,1176 3.804,1177 3.846,1178 3.871,1179 3.804,1180 3.735,1181 4.664,1182 3.734,1183 3.321,1184 3.382,1185 3.386,1186 3.172,1187 4.491,1188 3.171,1189 3.183,1190 3.262,1191 3.09,1192 2.991,1193 4.242,1194 2.997,1195 3.093,1196 3.176,1197 2.89,1198 2.951,1199 3.951,1200 2.926,1201 2.891,1202 2.996,1203 2.818,1204 2.735,1205 3.674,1206 2.715,1207 2.854,1208 2.925,1209 2.695,1210 2.671,1211 3.522,1212 2.671,1213 0.164,1214 0.121,1215 0.241,1216 0.148,1217 0.115,1218 4.605,1219 0.162,1220 3.377,1221 0.031,1222 6.74,1223 0.395,1224 4.138,1225 0.106,1226 3.209,1227 4.53,1228 0.86,1229 11.052,1230 2.979,1231 1.943,1232 1.915,1233 2.023,1234 2.06,1235 1.255,1236 2.049,1237 1.772,1238 1.739,1239 1.887,1240 1.931,1241 1.219,1242 1.927,1243 1.604,1244 1.543,1245 1.86,1246 1.761,1247 1.091,1248 1.798,1249 1.579,1250 1.536,1251 1.71,1252 1.76,1253 0.859,1254 1.748,1255 1.377,1256 1.372,1257 1.395,1258 1.432,1259 0.621,1260 1.489,1261 1.044,1262 0.994,1263 1.231,1264 1.287,1265 0.496,1266 1.292,1267 0.886,1268 0.821,1269 1.215,1270 1.062,1271 0.29,1272 1.114,1273 0.779,1274 0.668,1275 1.181,1276 1.051,1277 0.218,1278 1.107,1279 4.043,1281 5.398,1282 3.045,1283 6.942,1284 5.352,1285 8.574,1286 7.391,1287 10.255,1293 5.802,1295 4.151,1297 5.975,1299 0.683,1300 2.382,1305 27.675,1306 68.36,1307 156.139,1308 184.868,1309 192.477,1310 192.477,1311 192.477,1312 27.88,1313 7.749,1314 64.27,1315 92.51,1316 28,1317 12.669,1318 4.087,1319 3.17,1320 30.148,1321 74,1322 85,1323 0.2,1324 168.278,1325 278.28,1326 402.359,1327 23643,1329 16.096,1330 0.671,1331 0.583,1332 16.449,1333 13.999,1334 11.759,1335 0.42,1336 0.327,1337 8.254,1338 10.92,1339 8.036,1340 6.552,1341 12.213,1342 9.156,1343 11.047,1344 0.269,1345 0.181,1346 11.604,1347 7.406,1348 9.703,1349 0.17,1350 0.1,1351 10.392,1352 5.697,1353 8.524,1354 0.107,1355 0.056,1356 9.308,1357 4.459,1358 6.982,1359 0.067,1360 0.029,1361 7.566,1362 3.011,1363 0.302,1364 77.593,1365 0.226,1366 22.894,1367 0.582,1368 138,1369 346.844,1370 172.15,1371 358.707,1372 508.3,1373 340,1374 167,1375 376.15,1376 200.968,1377 393.653,1378 586.89,1379 373,1380 5}
{0 CHEMBL594431,1 1.745,2 16.659,3 3.308,4 10.946,5 168.016,6 8.139,7 0.44,8 4.483,9 4.593,10 4.25,11 4.039,12 5.499,13 4.003,14 5.079,15 5.245,16 4.604,17 4.465,18 6.233,19 4.412,20 5.352,21 5.553,22 4.608,23 4.607,24 6.341,25 4.515,26 5.379,27 5.611,28 4.54,29 4.594,30 6.362,31 4.475,32 5.33,33 5.56,34 4.546,35 4.569,36 6.362,37 4.454,38 5.209,39 5.402,40 4.572,41 4.579,42 6.204,43 4.47,44 5.206,45 5.387,46 4.548,47 4.589,48 6.18,49 4.477,50 5.291,51 5.512,52 4.519,53 4.563,54 6.271,55 4.446,56 0.134,57 1.287,58 18.069,59 7.403,60 19.212,61 8.854,62 0.721,63 2.133,64 36.119,65 12.879,66 72.531,67 15.71,68 0.92,69 2.604,70 55.529,71 16.988,72 82.061,73 21.066,74 0.737,75 2.572,76 55.437,77 18.68,78 90.324,79 24.089,80 0.94,81 2.451,82 58.064,83 18.474,84 100.862,85 22.716,86 0.695,87 2.376,88 48.797,89 16.749,90 60.166,91 20.111,92 0.457,93 2.349,94 45.979,95 17.087,96 47.203,97 20.593,98 0.699,99 2.44,100 48.728,101 17.202,102 67.103,103 22.313,104 18,105 73,106 0.264,107 0.589,108 0.742,109 0.809,110 0.813,111 0.817,112 3.81,113 1.044,114 -3.04,115 -3.04,116 -2.93,119 38.5,121 2,124 1,125 7,127 2,142 7,143 1,144 2,145 2,146 1,147 1,149 1,152 2,159 1,172 5,174 5,175 7,178 2,179 1,180 4,183 6,186 2,187 11,192 2,195 2,198 1,199 11,202 1,204 5,207 1,211 4,212 6,217 2,220 3,223 3,224 6,227 3,229 1,232 10,236 1,237 5,245 10,249 3,250 10,253 3,255 1,258 6,262 3,263 8,268 1,271 4,275 4726,276 29.726,277 29.726,278 29.726,279 29.726,280 29.726,281 26.728,282 38.478,283 17.286,284 30.636,285 24.804,286 24.804,287 24.804,288 24.804,289 24.804,290 20.117,291 58.241,292 8.386,293 26.379,294 4.541,295 2.391,296 1.377,297 0.933,298 0.907,299 0.881,300 4.53,306 1636,307 4.301,310 216.504,311 725.441,312 143.59,314 199.074,318 2.659,319 48.943,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 96,331 733,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.578,338 1.656,339 11.657,340 3.077,341 4.64,342 3.562,343 6.761,344 4.163,345 3.236,346 4.51,347 0.916,348 11.149,349 2.996,350 4.172,351 3.392,352 6.116,353 3.811,354 2.869,355 3.791,356 0.86,357 8.995,358 2.728,359 3.978,360 3.145,361 5.966,362 3.747,363 2.796,364 3.479,365 0.8,366 8.685,367 2.624,368 3.954,369 2.967,370 5.594,371 3.611,372 2.653,373 3.279,374 0.4,375 7.678,376 2.538,377 3.787,378 2.779,379 5.567,380 3.485,381 2.553,382 3.119,383 0.247,384 7.618,385 2.369,386 3.656,387 2.614,388 5.432,389 3.353,390 2.392,391 2.795,392 0.172,393 7.081,394 2.292,395 3.488,396 2.547,397 5.323,398 3.243,399 2.321,400 2.655,402 6.922,403 2.137,404 3.403,405 2.411,406 4.939,407 2.949,408 1.972,409 2.607,411 5.678,412 1.92,413 3.187,414 2.273,415 4.879,416 2.839,417 1.879,418 2.341,420 5.638,421 1.794,422 2.895,423 2.093,424 4.681,425 2.81,426 1.871,427 2.053,428 5.097,429 1.733,430 2.879,431 1.967,432 4.591,433 2.458,434 1.548,435 1.955,436 4.582,437 1.402,438 2.833,439 1.567,440 4.55,441 2.378,442 1.461,443 1.879,445 4.48,446 1.332,447 2.697,448 1.519,449 4.363,450 2.337,451 1.414,452 1.731,454 4.04,455 1.295,456 2.684,457 1.459,458 3.632,459 2.28,460 1.334,461 1.675,463 2.988,464 1.254,465 21.2,466 0.482,467 1.253,468 0.028,469 56.75,470 1.29,471 26,472 0.591,473 30.75,474 0.699,475 45.385,476 1.031,477 47.8,478 0.613,479 47.077,480 1.07,481 10.444,482 0.237,483 10.819,484 0.246,485 0.071,486 0.039,487 0.316,493 0.692,494 1.497,495 0.76,496 1.169,497 0.61,498 0.965,499 0.865,500 1.07,501 0.937,502 0.945,503 0.508,504 0.905,505 1.264,506 1.121,507 1.189,508 1.084,509 1.026,510 1.042,511 0.918,512 1.042,513 0.949,514 0.991,515 0.981,516 1.004,517 1.025,518 0.89,519 1.086,520 0.924,521 1.171,522 0.854,523 0.812,524 0.944,525 1.225,526 1.14,527 0.707,528 1.036,529 0.781,530 1.216,531 1.079,532 1.188,533 0.674,534 1.182,535 0.652,536 1.012,537 0.936,538 1.057,539 0.476,540 1.088,541 11,542 0.347,543 4,544 2.917,545 1.946,546 1.747,547 0.957,548 0.711,549 0.503,550 0.506,551 38426,552 106863,553 2.17,554 43.6,556 26,558 2,559 2,561 4,564 1.824,565 2.054,566 3.949,567 0.194,573 136.081,574 1.745,575 3.895,576 4.908,577 5.353,578 5.378,579 5.404,580 3.508,581 4.834,582 5.421,583 4.194,584 3967.53,585 9.617,586 75409.8,591 490.261,592 1.428,593 5.398,594 0.22,595 0.006,596 0.055,597 0.042,598 0.03,599 0.026,600 0.014,601 0.011,602 0.008,603 0.009,604 0.42,605 0.33,606 0.63,607 0.563,608 257.379,609 0.022,610 -0.279,611 0.162,612 -0.088,613 -0.083,614 0.001,615 0.12,616 0.071,617 0.011,618 0.047,619 0.228,620 0.028,621 -0.197,622 -0.073,623 -0.154,624 -0.064,625 -0.111,626 -0.079,627 -0.055,628 -0.067,629 0.011,630 -0.014,631 -0.03,632 -0.002,633 -0.047,634 0.104,635 0.012,636 0.135,637 -0.077,638 0.153,639 -0.025,640 0.16,641 -0.119,642 -0.021,643 -0.046,644 -0.031,645 -0.067,646 -0.147,647 -0.12,648 -0.134,649 -0.074,650 -0.172,651 0.077,652 0.01,653 -0.015,654 -0.083,655 0.069,656 -0.089,657 4.085,658 5.452,659 0.795,660 70.783,661 1.01,662 1.129,663 1.814,664 3.289,665 0.68,666 3.932,667 4.304,668 4.564,669 4.868,670 5.124,671 5.298,672 5.517,673 5.717,674 5.908,675 6.144,676 9.649,677 0.644,678 634.86,679 3.932,680 5.509,681 6.368,682 7.266,683 8.141,684 9.042,685 9.925,686 10.83,687 11.72,688 12.628,689 10.3,692 2,695 1,696 2,699 3,703 2,704 9,705 3,708 1,709 6,711 22,726 1,731 78,733 25,734 1,735 50,737 84,738 30,739 17,740 2,741 4,746 7,747 9,751 1,755 4,758 4,761 18,762 12,766 3,769 1,771 3,775 1,781 34,782 12,783 2,784 14,785 2,790 8,794 0.714,795 4,801 1,805 1,806 1,811 2,812 5,813 1,815 1,836 1,839 1,840 5,842 2,844 1,848 44,852 1,854 9,855 2,856 1,858 2,859 3,865 1,870 5.1,873 3,874 1,877 21.417,878 14.117,879 9.194,880 4.665,881 3.957,882 1.424,883 1.027,884 8.354,885 13.3,886 4.174,887 4.79,888 5.284,889 5.88,890 6.425,891 6.803,892 7.316,893 7.805,894 8.171,895 8.631,896 1,897 70,898 16.52,900 7.418,901 7.737,902 31.693,904 27.426,905 2.237,906 98.417,910 376.675,911 170.392,912 94.145,914 80.458,916 37.085,917 133.307,918 457.133,919 94.145,920 7.19,921 55.83,922 72.141,923 154.357,924 39.033,925 8.708,926 384.411,928 376.675,929 227.452,930 80.458,931 37.085,933 331.919,934 116.542,935 11,937 80.712,938 94.055,939 56.164,940 31.278,941 376.675,942 174.603,943 170.392,945 5.807,946 376.675,947 72.966,948 99.386,949 36.022,950 130.814,951 376.675,952 174.603,953 170.392,955 0.595,956 0.332,957 0.178,958 0.096,959 38,960 16,961 0.083,962 7,963 3,964 1.143,965 5.385,966 473.334,967 0.171,968 34,969 220.215,970 1,973 1,974 29.66,975 12.393,976 6.814,977 1.962,978 174.603,979 16.37,980 14.065,983 1.715,984 4.907,986 36.022,987 721.67,988 64,991 -3.168,993 36.345,997 -0.339,999 78.763,1000 88.062,1001 0.278,1002 0.62,1003 0.781,1004 0.852,1005 0.856,1006 0.86,1007 5.453,1008 2.321,1009 6.382,1010 7.081,1011 4.99,1012 5.479,1013 2.309,1014 7.216,1015 4.867,1016 6.669,1017 1.972,1018 7.954,1019 6.922,1020 4.691,1021 5.466,1022 1.404,1023 8.233,1024 4.488,1025 7.999,1026 1.879,1027 9.627,1028 5.678,1029 6.642,1030 7.712,1031 2.621,1032 11.278,1033 6.391,1034 9.364,1035 1.871,1036 11.362,1037 5.638,1038 7.132,1039 8.524,1040 2.398,1041 13.12,1042 6.79,1043 10.763,1044 1.548,1045 13.138,1046 5.097,1047 8.585,1048 10.307,1049 3.311,1050 15.728,1051 8.195,1052 12.188,1053 1.461,1054 14.945,1055 4.582,1056 9.434,1057 11.491,1058 3.429,1059 17.917,1060 8.952,1061 13.633,1062 1.414,1063 16.776,1064 4.48,1065 10.697,1066 13.103,1067 4.176,1068 20.393,1069 10.16,1070 3.314,1071 1.334,1072 18.626,1073 4.04,1074 11.716,1075 14.46,1076 4.471,1077 22.726,1078 11.089,1079 3.236,1080 11.657,1081 20.491,1082 2.988,1083 12.909,1084 16.006,1085 5.117,1086 25.167,1087 12.218,1088 2.869,1089 11.149,1090 22.37,1091 4.578,1092 14.008,1093 17.444,1094 5.506,1095 27.559,1096 13.232,1097 2.796,1098 8.995,1099 24.26,1100 4.51,1101 15.18,1102 18.966,1103 6.093,1104 29.993,1105 14.333,1106 2.653,1107 8.685,1108 26.159,1109 3.791,1110 16.318,1111 20.442,1112 6.532,1113 32.411,1114 15.388,1115 2.553,1116 7.678,1117 28.065,1118 3.479,1119 17.486,1120 21.955,1121 7.084,1122 34.846,1123 16.482,1124 2.392,1125 7.618,1126 29.979,1127 3.279,1128 18.643,1129 23.449,1130 7.551,1131 37.276,1132 17.559,1133 35043,1134 58637,1135 34.096,1136 53.057,1137 76.278,1138 78.261,1139 76.224,1140 76.022,1141 76.005,1142 96.149,1143 10.104,1144 225.422,1145 71.361,1146 5.743,1147 6.375,1148 6.913,1149 5.391,1150 5.314,1151 7.578,1152 2.912,1153 18.947,1154 5.077,1155 19.402,1156 1.526,1157 1.565,1158 1.524,1159 1.52,1160 1.52,1161 1.923,1162 0.202,1163 4.508,1164 1.427,1165 4.122,1166 4.147,1167 4.722,1168 4.08,1169 7.716,1170 4.041,1171 4.005,1172 4.002,1173 4.338,1174 3.953,1175 7.431,1176 3.832,1177 3.909,1178 3.948,1179 3.894,1180 3.836,1181 6.999,1182 3.823,1183 3.889,1184 3.926,1185 3.807,1186 3.747,1187 5.05,1188 3.753,1189 3.839,1190 3.869,1191 3.798,1192 3.732,1193 4.908,1194 3.734,1195 3.652,1196 3.683,1197 3.607,1198 3.485,1199 4.7,1200 3.463,1201 3.428,1202 3.472,1203 3.44,1204 3.226,1205 4.659,1206 3.238,1207 3.319,1208 3.382,1209 3.288,1210 3.086,1211 4.376,1212 3.123,1213 0.095,1214 0.087,1215 0.142,1216 0.085,1217 0.066,1218 4.743,1219 0.092,1220 4.375,1221 0.033,1222 7.111,1223 0.233,1224 4.248,1225 0.062,1226 3.314,1227 4.578,1228 1.656,1229 11.657,1230 3.077,1231 1.946,1232 1.919,1233 2.024,1234 2.065,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.255,1242 2.052,1243 1.824,1244 1.783,1245 1.933,1246 1.983,1247 1.219,1248 1.969,1249 1.771,1250 1.739,1251 1.885,1252 1.924,1253 1.106,1254 1.921,1255 1.626,1256 1.611,1257 1.86,1258 1.783,1259 0.989,1260 1.818,1261 1.604,1262 1.543,1263 1.719,1264 1.76,1265 0.948,1266 1.798,1267 1.561,1268 1.526,1269 1.6,1270 1.737,1271 0.865,1272 1.743,1273 1.401,1274 1.379,1275 1.516,1276 1.554,1277 0.832,1278 1.562,1279 4.615,1281 5.974,1282 3.045,1283 7.508,1284 5.416,1285 9.121,1286 7.506,1287 10.777,1289 1.273,1295 6.885,1296 5.65,1297 6.119,1299 0.438,1300 6.195,1305 50.253,1306 136.081,1307 303.774,1308 382.835,1309 417.506,1310 419.506,1311 421.506,1312 81.279,1313 9.343,1314 132.89,1315 169.51,1316 40,1317 13.148,1318 4.7,1319 3.907,1320 60.172,1321 249,1322 292,1323 0.114,1324 307.187,1325 528.58,1326 741.296,1327 173733,1329 30.261,1330 0.688,1331 0.59,1332 30.864,1333 25.981,1334 21.263,1335 0.425,1336 0.348,1337 14.727,1338 19.135,1339 14.212,1340 11.608,1341 22.566,1342 17.4,1343 20.614,1344 0.282,1345 0.2,1346 22.643,1347 14.61,1348 16.597,1349 0.175,1350 0.112,1351 18.141,1352 10.675,1353 14.398,1354 0.112,1355 0.062,1356 15.852,1357 8.026,1358 11.684,1359 0.07,1360 0.034,1361 12.932,1362 5.62,1363 0.182,1364 146.872,1365 0.171,1366 39.152,1367 0.303,1368 246,1369 717.199,1370 332.349,1371 726.695,1372 994.9,1373 678,1374 291,1375 698.022,1376 383.295,1377 749.508,1378 1098.1,1379 704,1380 8.081}
{0 CHEMBL594549,1 1.745,2 16.659,3 3.308,4 10.946,5 168.016,6 8.139,7 0.44,8 4.483,9 4.593,10 4.25,11 4.039,12 5.499,13 4.003,14 5.079,15 5.245,16 4.604,17 4.465,18 6.232,19 4.412,20 5.352,21 5.553,22 4.61,23 4.606,24 6.345,25 4.514,26 5.379,27 5.613,28 4.539,29 4.589,30 6.361,31 4.471,32 5.323,33 5.55,34 4.548,35 4.565,36 6.372,37 4.451,38 5.206,39 5.4,40 4.569,41 4.579,42 6.176,43 4.47,44 5.208,45 5.389,46 4.551,47 4.586,48 6.197,49 4.476,50 5.292,51 5.516,52 4.519,53 4.557,54 6.272,55 4.442,56 0.134,57 1.287,58 18.069,59 7.403,60 19.212,61 8.854,62 0.721,63 2.133,64 36.119,65 12.879,66 72.259,67 15.71,68 0.931,69 2.607,70 55.512,71 17.053,72 82.627,73 21.131,74 0.731,75 2.57,76 55.669,77 18.525,78 90.686,79 23.948,80 0.995,81 2.442,82 57.496,83 18.304,84 105.803,85 22.467,86 0.614,87 2.372,88 48.624,89 16.76,90 51.04,91 20.188,92 0.475,93 2.354,94 46.069,95 16.98,96 50.829,97 20.389,98 0.722,99 2.442,100 49.087,101 17.038,102 68.585,103 22.138,104 18,105 73,106 0.264,107 0.589,108 0.748,109 0.823,110 0.832,111 0.832,112 3.81,113 1.044,114 -3.04,115 -3.04,116 -2.93,119 38.5,121 2,124 1,125 7,127 2,142 7,143 1,144 2,145 2,146 1,147 1,149 1,152 2,159 1,172 6,174 5,175 6,178 2,179 1,180 3,183 5,186 2,187 12,190 1,192 3,195 2,198 1,199 10,204 4,207 1,211 5,212 7,215 1,217 3,220 3,223 2,224 6,227 2,229 1,232 8,236 1,237 7,245 10,249 3,250 10,253 3,255 1,258 7,262 3,263 7,268 1,271 5,275 4726,276 29.726,277 29.726,278 29.726,279 29.726,280 29.726,281 26.728,282 38.478,283 17.286,284 30.628,285 24.804,286 24.804,287 24.804,288 24.804,289 24.804,290 20.117,291 58.241,292 8.386,293 26.374,294 4.541,295 2.391,296 1.336,297 0.84,298 0.779,299 0.779,300 4.53,306 1636,307 4.301,310 216.504,311 725.441,312 143.59,314 199.074,318 2.659,319 48.963,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 96,331 733,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.578,338 1.656,339 11.657,340 3.077,341 4.64,342 3.562,343 6.761,344 4.163,345 3.236,346 4.51,347 0.916,348 11.149,349 2.996,350 4.172,351 3.392,352 6.116,353 3.811,354 2.869,355 3.791,356 0.86,357 8.995,358 2.728,359 3.978,360 3.145,361 5.966,362 3.747,363 2.796,364 3.479,365 0.8,366 8.685,367 2.623,368 3.954,369 2.967,370 5.594,371 3.61,372 2.653,373 3.279,374 0.4,375 7.678,376 2.533,377 3.787,378 2.779,379 5.567,380 3.485,381 2.553,382 3.119,383 0.247,384 7.618,385 2.368,386 3.656,387 2.614,388 5.432,389 3.352,390 2.392,391 2.795,392 0.172,393 7.081,394 2.289,395 3.488,396 2.547,397 5.323,398 3.243,399 2.321,400 2.655,402 6.922,403 2.137,404 3.403,405 2.411,406 4.939,407 2.949,408 1.972,409 2.607,411 5.678,412 1.92,413 3.187,414 2.273,415 4.879,416 2.839,417 1.879,418 2.341,420 5.638,421 1.794,422 2.895,423 2.093,424 4.681,425 2.81,426 1.871,427 2.053,428 5.097,429 1.733,430 2.879,431 1.967,432 4.591,433 2.458,434 1.548,435 1.955,436 4.582,437 1.404,438 2.833,439 1.567,440 4.55,441 2.384,442 1.461,443 1.879,445 4.48,446 1.349,447 2.697,448 1.519,449 4.363,450 2.351,451 1.414,452 1.731,454 4.04,455 1.307,456 2.684,457 1.459,458 3.632,459 2.288,460 1.334,461 1.675,463 2.988,464 1.262,465 21.2,466 0.482,467 1.253,468 0.028,469 56.75,470 1.29,471 26,472 0.591,473 30.75,474 0.699,475 45.372,476 1.031,477 47.8,478 0.613,479 47.091,480 1.07,481 10.444,482 0.237,483 10.82,484 0.246,485 0.071,486 0.039,487 0.316,493 0.692,494 1.497,495 0.76,496 1.169,497 0.61,498 0.965,499 0.865,500 1.07,501 0.937,502 0.945,503 0.51,504 0.905,505 1.247,506 1.112,507 1.186,508 1.088,509 1.021,510 1.047,511 0.94,512 1.058,513 0.946,514 0.982,515 0.989,516 0.99,517 1.002,518 0.86,519 1.096,520 0.921,521 1.163,522 0.858,523 0.807,524 0.987,525 1.213,526 1.155,527 0.661,528 1.036,529 0.831,530 1.234,531 1.092,532 1.192,533 0.741,534 1.188,535 0.674,536 0.99,537 0.935,538 1.032,539 0.483,540 1.064,541 11,542 0.347,543 4,544 2.917,545 1.946,546 1.747,547 0.957,548 0.711,549 0.503,550 0.506,551 38426,552 106579,553 2.17,554 43.6,556 26,558 2,559 2,561 4,564 1.824,565 2.054,566 3.949,567 0.194,573 136.081,574 1.745,575 3.895,576 4.95,577 5.446,578 5.506,579 5.506,580 3.508,581 4.834,582 5.421,583 4.194,584 3967.53,585 9.617,586 75409.8,591 490.261,592 1.428,593 5.398,594 0.22,595 0.006,596 0.055,597 0.042,598 0.03,599 0.026,600 0.014,601 0.011,602 0.008,603 0.009,604 0.42,605 0.33,606 0.63,607 0.563,608 257.379,609 0.022,610 -0.279,611 0.162,612 -0.088,613 -0.083,614 0.001,615 0.12,616 0.071,617 0.011,618 0.047,619 0.226,620 0.028,621 -0.179,622 -0.064,623 -0.152,624 -0.068,625 -0.105,626 -0.084,627 -0.071,628 -0.083,629 0.017,630 -0.007,631 -0.033,632 0.01,633 -0.013,634 0.141,635 0.004,636 0.138,637 -0.06,638 0.144,639 -0.054,640 0.114,641 -0.109,642 -0.032,643 -0.054,644 -0.025,645 -0.083,646 -0.163,647 -0.132,648 -0.141,649 -0.087,650 -0.184,651 0.068,652 0.034,653 -0.009,654 -0.064,655 0.068,656 -0.07,657 4.085,658 5.444,659 0.795,660 70.783,661 1.01,662 1.129,663 1.814,664 3.289,665 0.68,666 3.932,667 4.304,668 4.564,669 4.868,670 5.124,671 5.298,672 5.517,673 5.717,674 5.908,675 6.144,676 9.649,677 0.644,678 634.86,679 3.932,680 5.509,681 6.368,682 7.266,683 8.141,684 9.042,685 9.925,686 10.83,687 11.72,688 12.628,689 10.3,692 2,695 1,696 2,699 3,703 2,704 9,705 3,708 1,709 6,711 22,726 1,731 78,733 25,734 1,735 50,737 84,738 30,739 17,740 2,741 4,746 7,747 9,751 1,755 4,758 4,761 18,762 12,766 3,769 1,771 3,775 1,781 34,782 12,783 2,784 14,785 2,790 8,794 0.714,795 4,801 1,805 1,806 1,811 2,812 5,813 1,815 1,836 1,839 1,840 5,842 2,844 1,848 44,852 1,854 9,855 2,856 1,858 2,859 3,865 1,870 5.1,873 3,874 1,877 21.417,878 14.117,879 9.194,880 4.665,881 3.957,882 1.424,883 1.027,884 8.354,885 13.3,886 4.174,887 4.79,888 5.284,889 5.88,890 6.425,891 6.803,892 7.316,893 7.805,894 8.171,895 8.631,896 1,897 70,898 16.52,900 7.42,901 7.737,902 31.693,904 27.426,905 2.237,906 98.417,910 376.675,911 170.392,912 94.145,914 80.458,916 37.085,917 133.307,918 457.133,919 94.145,920 7.19,921 55.83,922 72.141,923 154.357,924 39.033,925 8.708,926 384.411,928 376.675,929 227.452,930 80.458,931 37.085,933 331.919,934 116.542,935 11,937 80.712,938 94.055,939 56.164,940 31.278,941 376.675,942 174.603,943 170.392,945 5.807,946 376.675,947 72.966,948 99.386,949 36.022,950 130.814,951 376.675,952 174.603,953 170.392,955 0.595,956 0.332,957 0.178,958 0.096,959 38,960 16,961 0.083,962 7,963 3,964 1.143,965 5.385,966 473.334,967 0.171,968 34,969 224.215,970 1,973 1,974 29.66,975 12.393,976 6.814,977 1.96,978 174.603,979 16.437,980 14.114,983 1.714,984 4.849,986 36.022,987 721.67,988 64,991 -3.168,993 36.337,997 -0.351,999 78.763,1000 88.062,1001 0.278,1002 0.62,1003 0.787,1004 0.866,1005 0.876,1006 0.876,1007 5.453,1008 2.321,1009 6.382,1010 7.081,1011 4.99,1012 5.479,1013 2.309,1014 7.216,1015 4.867,1016 6.669,1017 1.972,1018 7.954,1019 6.922,1020 4.691,1021 5.466,1022 1.404,1023 8.233,1024 4.488,1025 7.999,1026 1.879,1027 9.627,1028 5.678,1029 6.642,1030 7.712,1031 2.621,1032 11.278,1033 6.39,1034 9.364,1035 1.871,1036 11.362,1037 5.638,1038 7.132,1039 8.524,1040 2.398,1041 13.12,1042 6.789,1043 10.763,1044 1.548,1045 13.138,1046 5.097,1047 8.585,1048 10.307,1049 3.311,1050 15.728,1051 8.194,1052 12.188,1053 1.461,1054 14.945,1055 4.582,1056 9.434,1057 11.491,1058 3.429,1059 17.917,1060 8.951,1061 13.633,1062 1.414,1063 16.776,1064 4.48,1065 10.697,1066 13.103,1067 4.176,1068 20.393,1069 10.158,1070 3.314,1071 1.334,1072 18.626,1073 4.04,1074 11.716,1075 14.46,1076 4.471,1077 22.726,1078 11.088,1079 3.236,1080 11.657,1081 20.491,1082 2.988,1083 12.909,1084 16.006,1085 5.117,1086 25.167,1087 12.217,1088 2.869,1089 11.149,1090 22.37,1091 4.578,1092 14.008,1093 17.444,1094 5.506,1095 27.559,1096 13.23,1097 2.796,1098 8.995,1099 24.26,1100 4.51,1101 15.18,1102 18.966,1103 6.093,1104 29.993,1105 14.331,1106 2.653,1107 8.685,1108 26.159,1109 3.791,1110 16.318,1111 20.442,1112 6.532,1113 32.411,1114 15.387,1115 2.553,1116 7.678,1117 28.065,1118 3.479,1119 17.486,1120 21.955,1121 7.084,1122 34.846,1123 16.481,1124 2.392,1125 7.618,1126 29.979,1127 3.279,1128 18.643,1129 23.449,1130 7.551,1131 37.276,1132 17.558,1133 35043,1134 58561,1135 34.096,1136 53.057,1137 76.278,1138 78.261,1139 76.224,1140 76.016,1141 76.005,1142 96.149,1143 10.104,1144 225.422,1145 71.365,1146 5.743,1147 6.375,1148 6.913,1149 5.391,1150 5.314,1151 7.578,1152 2.912,1153 18.947,1154 5.077,1155 19.402,1156 1.526,1157 1.565,1158 1.524,1159 1.52,1160 1.52,1161 1.923,1162 0.202,1163 4.508,1164 1.427,1165 4.122,1166 4.147,1167 4.722,1168 4.08,1169 7.716,1170 4.041,1171 4.005,1172 4.002,1173 4.338,1174 3.953,1175 7.431,1176 3.832,1177 3.909,1178 3.948,1179 3.894,1180 3.836,1181 6.999,1182 3.822,1183 3.888,1184 3.926,1185 3.807,1186 3.746,1187 5.05,1188 3.752,1189 3.839,1190 3.869,1191 3.798,1192 3.731,1193 4.907,1194 3.734,1195 3.652,1196 3.683,1197 3.607,1198 3.485,1199 4.7,1200 3.463,1201 3.431,1202 3.475,1203 3.441,1204 3.228,1205 4.659,1206 3.242,1207 3.321,1208 3.383,1209 3.291,1210 3.098,1211 4.376,1212 3.131,1213 0.095,1214 0.087,1215 0.142,1216 0.085,1217 0.066,1218 4.743,1219 0.092,1220 4.375,1221 0.033,1222 7.111,1223 0.233,1224 4.248,1225 0.062,1226 3.314,1227 4.578,1228 1.656,1229 11.657,1230 3.077,1231 1.946,1232 1.919,1233 2.024,1234 2.065,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.255,1242 2.052,1243 1.823,1244 1.782,1245 1.934,1246 1.982,1247 1.219,1248 1.969,1249 1.772,1250 1.739,1251 1.885,1252 1.924,1253 1.106,1254 1.921,1255 1.626,1256 1.611,1257 1.86,1258 1.783,1259 0.989,1260 1.818,1261 1.604,1262 1.543,1263 1.719,1264 1.76,1265 0.945,1266 1.798,1267 1.561,1268 1.526,1269 1.6,1270 1.737,1271 0.865,1272 1.743,1273 1.401,1274 1.379,1275 1.517,1276 1.558,1277 0.832,1278 1.562,1279 4.615,1281 5.974,1282 3.045,1283 7.508,1284 5.416,1285 9.121,1286 7.506,1287 10.777,1289 1.273,1295 6.882,1296 5.62,1297 6.118,1299 0.437,1300 6.194,1305 50.253,1306 136.081,1307 303.774,1308 386.081,1309 424.752,1310 429.506,1311 429.506,1312 81.432,1313 9.343,1314 132.89,1315 169.51,1316 40,1317 13.148,1318 4.7,1319 3.907,1320 60.172,1321 249,1322 292,1323 0.114,1324 307.187,1325 528.58,1326 741.296,1327 173733,1329 30.261,1330 0.688,1331 0.59,1332 30.864,1333 25.981,1334 21.263,1335 0.425,1336 0.348,1337 14.727,1338 19.139,1339 14.211,1340 11.61,1341 22.566,1342 17.4,1343 20.614,1344 0.282,1345 0.2,1346 22.643,1347 14.616,1348 16.597,1349 0.175,1350 0.112,1351 18.141,1352 10.656,1353 14.398,1354 0.112,1355 0.062,1356 15.852,1357 8.027,1358 11.684,1359 0.07,1360 0.034,1361 12.932,1362 5.617,1363 0.182,1364 146.872,1365 0.171,1366 39.152,1367 0.303,1368 246,1369 717.199,1370 332.349,1371 726.826,1372 994.94,1373 678,1374 291,1375 698.022,1376 383.489,1377 749.804,1378 1098.54,1379 704,1380 7.921}
{0 CHEMBL594571,1 1.633,2 13.455,3 4.562,4 20.811,5 127.061,6 8.171,7 0.579,8 4.157,9 4.265,10 3.853,11 3.761,12 5.227,13 3.733,14 4.706,15 4.851,16 4.246,17 4.176,18 5.783,19 4.125,20 4.978,21 5.182,22 4.24,23 4.246,24 5.954,25 4.172,26 4.926,27 5.164,28 4.15,29 4.176,30 5.914,31 4.086,32 4.836,33 5.038,34 4.172,35 4.17,36 5.915,37 4.091,38 4.803,39 4.971,40 4.21,41 4.232,42 5.857,43 4.136,44 4.833,45 5.025,46 4.049,47 4.213,48 5.785,49 4.086,50 4.797,51 5.029,52 3.789,53 4.049,54 5.753,55 3.897,56 0.034,57 0.859,58 10.435,59 5.023,60 7.511,61 6.014,62 0.294,63 1.456,64 21.372,65 9.008,66 27.223,67 10.801,68 0.472,69 1.822,70 33.401,71 11.325,72 41.999,73 14.274,74 0.32,75 1.749,76 31.241,77 11.025,78 41.161,79 14.527,80 0.389,81 1.596,82 31.522,83 10.786,84 47.491,85 12.709,86 0.334,87 1.568,88 27.586,89 10.634,90 38.212,91 12.223,92 0.239,93 1.564,94 31.332,95 12.235,96 29.284,97 14.796,98 0.359,99 1.443,100 28.355,101 11.366,102 45.893,103 14.949,104 2,105 54,106 0.264,107 0.596,108 0.713,109 0.786,110 0.811,111 0.817,112 3.532,113 0.946,114 -5.04,115 -4.94,116 -4.63,119 44.6,121 2,125 2,127 2,142 10,143 1,144 2,146 1,147 1,149 1,151 1,152 1,159 1,172 9,174 2,175 5,178 2,179 1,180 4,183 9,186 1,187 9,192 4,195 4,198 1,199 11,204 6,207 1,211 1,212 8,217 4,220 3,224 5,227 2,229 2,232 10,236 1,237 4,245 14,249 2,250 2,253 3,255 1,258 12,263 2,268 1,271 8,275 1980,276 22.927,277 22.927,278 22.927,279 22.927,280 22.927,281 20.256,282 24.334,283 13.56,284 23.535,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 14.837,291 37.439,292 6.567,293 19.905,294 4.174,295 2.116,296 1.392,297 0.942,298 0.786,299 0.75,300 4.255,304 1,305 1,306 1018,307 3.162,310 155.836,311 396.329,312 100.955,314 140.941,318 2.171,319 25.469,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 70.5,331 444,332 4.605,333 3.562,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.156,342 3.377,343 6.115,344 3.81,345 2.862,346 3.774,347 0.86,348 8.994,349 2.726,350 3.972,351 3.09,352 5.907,353 3.703,354 2.75,355 3.478,356 0.8,357 8.458,358 2.597,359 3.906,360 2.779,361 5.567,362 3.596,363 2.631,364 3.184,365 0.247,366 7.633,367 2.53,368 3.759,369 2.551,370 5.497,371 3.359,372 2.392,373 3.088,375 7.161,376 2.309,377 3.525,378 2.516,379 5.323,380 3.215,381 2.29,382 2.698,384 6.922,385 2.115,386 3.402,387 2.382,388 4.879,389 2.947,390 1.952,391 2.65,393 5.638,394 1.929,395 2.966,396 2.093,397 4.68,398 2.839,399 1.879,400 2.174,402 5.114,403 1.794,404 2.879,405 1.582,406 4.573,407 2.436,408 1.5,409 1.974,411 4.418,412 1.41,413 2.843,414 1.535,415 4.386,416 2.367,417 1.443,418 1.879,420 4.173,421 1.339,422 2.696,423 1.519,424 3.586,425 2.351,426 1.371,427 1.731,428 2.989,429 1.312,430 2.54,431 1.063,432 3.554,433 2,434 1.049,435 1.558,436 2.413,437 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 3.413,450 1.932,451 1,452 1.5,454 2.136,455 0.904,456 1.994,457 0.964,458 3.267,459 1.651,460 0.72,461 0.824,463 1.777,464 0.662,465 16,466 0.485,467 0.721,468 0.022,469 45.5,470 1.379,471 23,472 0.697,473 22.5,474 0.682,475 27.331,476 0.828,477 33.8,478 0.604,479 32.872,480 0.996,481 8.536,482 0.259,483 7.673,484 0.233,485 0.021,487 0.338,493 0.828,494 1.218,495 0.706,496 0.915,497 0.621,498 0.847,499 0.887,500 1.09,501 0.901,502 1.001,503 0.576,504 0.973,505 1.309,506 1.178,507 0.97,508 0.975,509 0.996,510 0.987,511 0.926,512 1.011,513 0.801,514 0.825,515 0.797,516 0.874,517 1.27,518 0.938,519 1.146,520 0.937,521 1.526,522 0.839,523 1.161,524 0.946,525 1.217,526 1.093,527 1.392,528 1.071,529 0.748,530 1.116,531 1.335,532 1.324,533 0.675,534 1.197,535 0.561,536 0.947,537 1.017,538 1.127,539 0.545,540 1.204,541 6.5,542 0.166,543 2.667,544 1.722,545 1.394,546 1.066,547 0.573,548 0.301,549 0.268,550 0.195,551 18268,552 45649,553 2.242,554 41.1,556 16,557 1,559 2,561 4,564 1.749,565 2.176,566 3.665,567 0.192,573 91.464,574 1.633,575 3.691,576 4.415,577 4.865,578 5.022,579 5.057,580 3.097,581 4.453,582 5.013,583 3.888,584 2052.65,585 8.764,586 31236.5,591 325.212,592 1.096,593 5.007,594 0.171,595 0.007,596 0.049,597 0.034,598 0.03,599 0.022,600 0.012,601 0.007,602 0.008,603 0.007,604 0.347,605 0.17,606 0.88,607 0.306,608 176.675,609 -0.053,610 -0.122,611 0.07,612 0.007,613 -0.043,614 0.031,615 0.13,616 -0.017,617 -0.016,618 -0.056,619 0.12,620 -0.077,621 -0.126,622 -0.17,623 -0.033,624 -0.048,625 -0.076,626 -0.05,627 -0.038,628 0.01,629 0.114,630 0.078,631 0.096,632 0.089,633 -0.132,634 0.112,635 -0.033,636 0.102,637 -0.065,638 0.117,639 -0.146,640 0.114,641 -0.157,642 -0.046,643 -0.199,644 -0.129,645 -0.009,646 -0.125,647 -0.223,648 -0.217,649 -0.039,650 -0.181,651 0.191,652 -0.028,653 -0.096,654 -0.156,655 0.131,656 -0.177,657 1.95,658 5.27,659 0.879,660 38.303,661 1.003,662 1.117,663 3.809,664 14.511,665 0.704,666 3.664,667 4.007,668 4.304,669 4.625,670 4.86,671 5.004,672 5.198,673 5.357,674 5.493,675 5.652,676 7.923,677 0.669,678 457.6,679 3.664,680 5.22,681 6.084,682 6.974,683 7.853,684 8.748,685 9.635,686 10.534,687 11.426,688 12.329,689 8.9,695 1,696 2,699 2,703 2,704 11,705 2,708 1,709 5,711 22,726 1,731 56,733 23,734 2,735 38,737 61,738 25,739 18,740 3,741 9,746 6,747 8,751 1,755 4,758 4,761 19,762 6,766 1,771 1,775 1,778 1,781 23,782 7,783 2,784 8,785 1,790 5,794 0.667,795 2,801 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,842 1,848 33,854 4,855 2,856 1,858 2,859 1,865 1,870 3.6,873 1,874 1,877 15.167,878 9.933,879 7.028,880 3.415,881 4.024,882 1.468,883 1.051,884 5.543,885 12.627,886 3.932,887 4.535,888 5.122,889 5.742,890 6.274,891 6.62,892 7.112,893 7.567,894 7.878,895 8.309,896 0.889,897 51,898 12.224,900 5.361,901 7.601,902 23.751,904 20.393,905 2.101,906 69.333,909 1,910 247.193,911 163.49,912 72.717,914 36.145,916 31.278,917 132.213,918 283.338,919 72.717,921 45.302,922 102.412,923 69.716,924 16.295,925 19.121,926 266.7,928 247.193,929 204.93,930 36.145,931 31.278,933 202.437,934 72.229,935 11,937 47.446,938 121.584,939 33.571,940 31.278,941 247.193,942 108.862,943 163.49,946 247.193,947 61.079,948 105.536,949 36.022,950 69.716,951 247.193,952 108.862,953 163.49,955 0.584,956 0.337,957 0.191,958 0.102,959 29,960 11,961 0.066,962 4,963 3,964 1.172,965 4.597,966 319.197,967 0.207,968 28,969 152.465,970 1,974 20.729,975 8.825,976 4.364,977 2.083,978 108.862,979 21.105,980 9.783,983 1.682,984 4.043,986 36.022,987 519.545,988 50,993 12.27,997 -0.283,999 56.192,1000 62.567,1001 0.281,1002 0.636,1003 0.76,1004 0.838,1005 0.865,1006 0.871,1007 5.179,1008 1.879,1009 6.061,1010 5.638,1011 4.691,1012 5.223,1013 2.109,1014 6.868,1015 4.585,1016 6.37,1017 1.5,1018 7.606,1019 5.114,1020 4.205,1021 4.934,1022 1.305,1023 7.695,1024 4.042,1025 7.667,1026 1.443,1027 9.246,1028 4.418,1029 6.279,1030 7.397,1031 2.545,1032 10.817,1033 6.062,1034 8.996,1035 1.371,1036 10.943,1037 4.173,1038 6.621,1039 7.977,1040 2.354,1041 12.494,1042 6.327,1043 10.357,1044 1.049,1045 12.678,1046 2.989,1047 8.132,1048 9.891,1049 3.285,1050 15.117,1051 7.795,1052 11.742,1053 1,1054 14.44,1055 2.413,1056 8.872,1057 10.911,1058 3.414,1059 17.174,1060 8.446,1061 13.146,1062 1,1063 16.223,1064 2.275,1065 10.149,1066 12.588,1067 4.168,1068 19.63,1069 9.677,1070 3.209,1071 0.72,1072 18.022,1073 2.136,1074 11.086,1075 13.842,1076 4.466,1077 21.866,1078 10.524,1079 2.862,1080 11.052,1081 19.834,1082 1.777,1083 12.266,1084 15.414,1085 5.115,1086 24.268,1087 11.651,1088 2.75,1089 8.994,1090 21.658,1091 4.53,1092 13.303,1093 16.791,1094 5.504,1095 26.587,1096 12.6,1097 2.631,1098 8.458,1099 23.492,1100 3.774,1101 14.448,1102 18.318,1103 6.092,1104 28.977,1105 13.682,1106 2.392,1107 7.633,1108 25.334,1109 3.478,1110 15.535,1111 19.758,1112 6.531,1113 31.336,1114 14.684,1115 2.29,1116 7.161,1117 27.183,1118 3.184,1119 16.671,1120 21.269,1121 7.084,1122 33.725,1123 15.751,1124 1.952,1125 6.922,1126 29.039,1127 3.088,1128 17.785,1129 22.742,1130 7.551,1131 36.104,1132 16.782,1133 16374,1134 26049,1135 26.641,1136 39.438,1137 57.787,1138 58.524,1139 57.469,1140 57.254,1141 57.319,1142 74.564,1143 7.126,1144 165.647,1145 54.282,1146 5.605,1147 5.562,1148 6.542,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 7.669,1156 1.521,1157 1.54,1158 1.512,1159 1.507,1160 1.508,1161 1.962,1162 0.188,1163 4.359,1164 1.428,1165 4.098,1166 4.126,1167 4.319,1168 4.053,1169 7.431,1170 4.019,1171 3.918,1172 3.955,1173 3.895,1174 3.844,1175 5.055,1176 3.834,1177 3.893,1178 3.929,1179 3.812,1180 3.806,1181 4.773,1182 3.797,1183 3.84,1184 3.866,1185 3.805,1186 3.734,1187 4.7,1188 3.733,1189 3.437,1190 3.478,1191 3.447,1192 3.214,1193 4.66,1194 3.239,1195 3.296,1196 3.363,1197 3.287,1198 3.088,1199 4.302,1200 3.112,1201 3.124,1202 3.188,1203 3.071,1204 2.951,1205 4.023,1206 2.948,1207 3.093,1208 3.176,1209 2.89,1210 2.941,1211 3.941,1212 2.926,1213 0.121,1214 0.094,1215 0.177,1216 0.109,1217 0.084,1218 4.605,1219 0.119,1220 3.562,1221 0.044,1222 6.74,1223 0.291,1224 4.138,1225 0.078,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.947,1232 1.919,1233 2.028,1234 2.065,1235 1.255,1236 2.053,1237 1.885,1238 1.854,1239 2.004,1240 1.994,1241 1.219,1242 1.997,1243 1.774,1244 1.741,1245 1.886,1246 1.928,1247 1.107,1248 1.925,1249 1.604,1250 1.543,1251 1.86,1252 1.767,1253 1.06,1254 1.798,1255 1.58,1256 1.537,1257 1.71,1258 1.76,1259 0.863,1260 1.752,1261 1.378,1262 1.372,1263 1.42,1264 1.563,1265 0.621,1266 1.525,1267 1.268,1268 1.226,1269 1.358,1270 1.425,1271 0.496,1272 1.481,1273 0.948,1274 0.909,1275 1.215,1276 1.121,1277 0.365,1278 1.125,1279 4.344,1281 5.68,1282 3.045,1283 7.203,1284 5.352,1285 8.811,1286 7.391,1287 10.468,1295 3.997,1296 5.684,1297 6.018,1299 0.592,1300 2.361,1305 37.465,1306 91.464,1307 206.72,1308 247.238,1309 272.457,1310 281.212,1311 283.212,1312 44.252,1313 8.603,1314 79.38,1315 107.62,1316 34,1317 12.851,1318 4.585,1319 3.7,1320 43.447,1321 156,1322 171,1323 0.133,1324 227.112,1325 385.35,1326 545.914,1327 76839,1329 22.2,1330 0.673,1331 0.567,1332 22.554,1333 18.717,1334 16.209,1335 0.427,1336 0.315,1337 11.042,1338 15.208,1339 10.788,1340 8.842,1341 16.663,1342 11.983,1343 14.888,1344 0.276,1345 0.172,1346 15.445,1347 9.307,1348 12.73,1349 0.174,1350 0.095,1351 13.419,1352 6.961,1353 11.319,1354 0.112,1355 0.053,1356 12.104,1357 5.344,1358 9.053,1359 0.071,1360 0.028,1361 9.637,1362 3.559,1363 0.213,1364 105.395,1365 0.194,1366 31.034,1367 0.352,1368 184,1369 497.933,1370 223.611,1371 503.97,1372 705.19,1373 476,1374 219,1375 519.449,1376 257.46,1377 537.452,1378 794.93,1379 509,1380 7.086}
{0 CHEMBL594606,1 1.613,2 15.878,3 3.734,4 13.94,5 159.375,6 7.611,7 0.468,8 4.437,9 4.562,10 4.067,11 3.974,12 5.447,13 3.946,14 5.024,15 5.208,16 4.471,17 4.408,18 6.007,19 4.356,20 5.289,21 5.503,22 4.486,23 4.549,24 6.194,25 4.451,26 5.328,27 5.593,28 4.414,29 4.522,30 6.184,31 4.389,32 5.217,33 5.455,34 4.467,35 4.497,36 6.19,37 4.384,38 5.12,39 5.297,40 4.507,41 4.534,42 6.103,43 4.431,44 5.179,45 5.376,46 4.435,47 4.542,48 6.094,49 4.433,50 5.24,51 5.467,52 4.323,53 4.497,54 6.16,55 4.379,56 0.021,57 1.217,58 16.083,59 6.693,60 10.281,61 8.835,62 0.441,63 2.027,64 33.226,65 11.444,66 36.209,67 15.322,68 0.611,69 2.467,70 49.208,71 15.372,72 49.229,73 21.148,74 0.394,75 2.434,76 50.522,77 17.192,78 53.319,79 24.262,80 0.616,81 2.268,82 52.179,83 16.474,84 67.36,85 21.005,86 0.425,87 2.23,88 43.504,89 15.126,90 42.901,91 18.707,92 0.28,93 2.281,94 43.679,95 15.963,96 36.098,97 20.802,98 0.543,99 2.325,100 45.969,101 15.699,102 60.121,103 21.436,104 5,105 67,106 0.247,107 0.572,108 0.736,109 0.807,110 0.833,111 0.833,112 3.742,113 0.962,114 -3.81,115 -3.77,116 -3.59,119 40,121 2,124 1,125 7,127 2,142 7,143 1,144 2,145 2,146 1,147 1,149 1,152 2,159 1,172 6,174 2,175 6,178 2,179 1,180 3,183 5,186 2,187 12,190 1,192 3,195 2,198 1,199 10,204 4,207 1,211 3,212 7,215 1,217 3,220 3,223 2,224 6,227 2,229 1,232 8,236 1,237 7,245 10,249 3,250 6,253 3,255 1,258 7,262 3,263 7,268 1,271 5,275 3892,276 28.253,277 28.253,278 28.253,279 28.253,280 28.253,281 25.61,282 36.989,283 16.655,284 29.128,285 23.329,286 23.329,287 23.329,288 23.329,289 23.329,290 19.253,291 55.882,292 8.118,293 24.82,294 4.616,295 2.486,296 1.416,297 0.953,298 0.783,299 0.783,300 4.468,305 1,306 1472,307 3.536,310 196.547,311 659.011,312 130.061,314 179.654,318 2.375,319 31.425,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 88,331 651,332 4.64,333 3.562,334 6.761,335 4.163,336 3.237,337 4.578,338 1.656,339 11.149,340 2.997,341 4.172,342 3.392,343 6.116,344 3.811,345 2.869,346 3.791,347 0.916,348 8.995,349 2.728,350 3.978,351 3.148,352 5.966,353 3.75,354 2.8,355 3.479,356 0.86,357 8.686,358 2.625,359 3.954,360 2.997,361 5.6,362 3.615,363 2.666,364 3.279,365 0.8,366 7.697,367 2.534,368 3.788,369 2.789,370 5.567,371 3.55,372 2.611,373 3.119,374 0.8,375 7.623,376 2.431,377 3.676,378 2.687,379 5.455,380 3.364,381 2.413,382 2.8,383 0.247,384 7.144,385 2.301,386 3.542,387 2.549,388 5.323,389 3.3,390 2.368,391 2.657,392 0.172,393 6.924,394 2.192,395 3.407,396 2.466,397 5.058,398 3.045,399 2.126,400 2.632,402 6.06,403 1.953,404 3.277,405 2.385,406 4.879,407 2.938,408 1.954,409 2.442,411 5.638,412 1.907,413 2.984,414 2.093,415 4.765,416 2.839,417 1.879,418 2.096,420 5.27,421 1.794,422 2.879,423 2.005,424 4.679,425 2.674,426 1.759,427 1.979,428 5.069,429 1.594,430 2.865,431 1.567,432 4.587,433 2.389,434 1.464,435 1.911,436 4.48,437 1.357,438 2.818,439 1.519,440 4.363,441 2.353,442 1.418,443 1.879,445 4.048,446 1.308,447 2.695,448 1.46,449 3.632,450 2.295,451 1.337,452 1.731,454 2.988,455 1.273,456 2.5,457 1.146,458 3.566,459 2,460 1,461 1.5,463 2.275,464 1,465 19.7,466 0.48,467 0.964,468 0.024,469 52,470 1.268,471 23,472 0.561,473 29,474 0.707,475 41.283,476 1.007,477 43.9,478 0.585,479 40.956,480 0.999,481 9.783,482 0.239,483 10.269,484 0.25,485 0.042,487 0.34,493 0.865,494 1.472,495 0.75,496 1.069,497 0.616,498 0.965,499 1.104,500 1.022,501 0.89,502 0.861,503 0.601,504 0.877,505 1.213,506 1.162,507 1.139,508 1.125,509 0.948,510 1.081,511 0.745,512 1.005,513 0.806,514 0.899,515 0.681,516 0.906,517 1.035,518 0.854,519 1.234,520 0.991,521 1.267,522 0.794,523 1.019,524 1.081,525 1.401,526 1.309,527 1.175,528 1.126,529 0.814,530 1.239,531 1.233,532 1.294,533 0.709,534 1.153,535 0.829,536 1.042,537 1.176,538 1.16,539 0.644,540 1.142,541 9,542 0.287,543 3.111,544 2.417,545 1.826,546 1.449,547 0.916,548 0.586,549 0.467,550 0.372,551 32045,552 75278,553 2.221,554 45.3,556 26,558 2,559 2,561 4,564 1.808,565 2.139,566 3.884,567 0.161,573 120.981,574 1.613,575 3.742,576 4.813,577 5.275,578 5.445,579 5.445,580 3.391,581 4.803,582 5.32,583 4.095,584 3358.17,585 9.415,586 60011.6,591 467.161,592 1.177,593 5.314,594 0.191,595 0.006,596 0.046,597 0.038,598 0.031,599 0.023,600 0.014,601 0.009,602 0.008,603 0.007,604 0.374,605 0.33,606 0.63,607 0.343,608 234.256,609 -0.034,610 -0.271,611 0.087,612 -0.059,613 0.001,614 -0.003,615 0.005,616 0.117,617 0.048,618 0.106,619 0.12,620 0.056,621 -0.1,622 -0.116,623 -0.106,624 -0.106,625 -0.056,626 -0.113,627 0.035,628 -0.046,629 0.169,630 0.081,631 0.133,632 0.1,633 0.01,634 0.189,635 0.064,636 0.183,637 0.059,638 0.217,639 -0.071,640 0.065,641 -0.164,642 -0.102,643 -0.133,644 -0.121,645 -0.032,646 -0.162,647 -0.144,648 -0.169,649 -0.044,650 -0.135,651 0.034,653 -0.183,654 -0.152,655 0.052,656 -0.157,657 1.987,658 5.427,659 0.854,660 61.479,661 1,662 1.13,663 2.583,664 6.673,665 0.673,666 3.871,667 4.22,668 4.5,669 4.82,670 5.088,671 5.236,672 5.468,673 5.677,674 5.875,675 6.091,676 9.034,677 0.635,678 570.79,679 3.871,680 5.434,681 6.293,682 7.183,683 8.059,684 8.954,685 9.84,686 10.741,687 11.634,688 12.539,689 10.7,692 2,695 1,696 2,699 3,703 2,704 9,705 3,708 1,709 6,711 22,726 1,731 75,733 23,734 1,735 47,737 81,738 30,739 17,740 2,741 4,746 7,747 9,751 1,755 4,758 4,761 18,762 12,766 1,771 1,775 1,781 34,782 10,783 2,784 11,785 1,790 8,794 0.714,795 2,801 1,805 1,806 1,811 2,812 5,813 1,815 1,836 2,839 1,840 5,842 1,844 1,848 41,854 9,855 2,856 1,858 2,859 3,865 1,870 2.7,873 1,874 1,877 19.167,878 13.617,879 8.694,880 4.61,881 3.901,882 1.425,883 1.03,884 7.673,885 13.072,886 4.094,887 4.675,888 5.232,889 5.851,890 6.409,891 6.781,892 7.302,893 7.792,894 8.158,895 8.606,896 0.909,897 64,898 15.223,900 6.618,901 7.537,902 29.892,904 25.66,905 2.037,906 83.5,910 376.675,911 165.791,912 95.751,914 36.145,916 31.278,917 134.513,918 412.82,919 95.751,920 8.396,921 55.83,922 66.334,923 110.044,924 40.639,925 8.708,926 384.411,928 376.675,929 230.264,930 36.145,931 31.278,933 331.919,934 72.229,935 11,937 82.318,938 95.261,939 50.357,940 31.278,941 376.675,942 131.896,943 165.791,946 376.675,947 72.966,948 102.198,949 36.022,950 86.501,951 376.675,952 131.896,953 165.791,955 0.586,956 0.332,957 0.184,958 0.103,959 35,960 14,961 0.074,962 6,963 3,964 1.143,965 5.22,966 432.199,967 0.171,968 34,969 205.66,970 1,974 26.871,975 11.707,976 6.128,977 2.153,978 131.896,979 16.785,980 14.213,983 1.827,984 5.267,986 36.022,987 674.362,988 59,993 12.427,997 -0.321,999 75.032,1000 84.723,1001 0.259,1002 0.601,1003 0.773,1004 0.847,1005 0.874,1006 0.874,1007 5.359,1008 2.126,1009 6.275,1010 6.924,1011 4.905,1012 5.364,1013 2.371,1014 7.074,1015 4.782,1016 6.54,1017 1.954,1018 7.816,1019 6.06,1020 4.443,1021 5.103,1022 1.494,1023 7.874,1024 4.247,1025 7.833,1026 1.879,1027 9.449,1028 5.638,1029 6.491,1030 7.5,1031 2.651,1032 10.986,1033 6.242,1034 9.154,1035 1.759,1036 11.136,1037 5.27,1038 6.825,1039 8.091,1040 2.426,1041 12.626,1042 6.493,1043 10.508,1044 1.464,1045 12.859,1046 5.069,1047 8.331,1048 9.977,1049 3.321,1050 15.249,1051 7.951,1052 11.885,1053 1.418,1054 14.608,1055 4.48,1056 9.054,1057 11.008,1058 3.436,1059 17.286,1060 8.586,1061 13.283,1062 1.337,1063 16.377,1064 4.048,1065 10.331,1066 12.675,1067 4.179,1068 19.742,1069 9.811,1070 3.237,1071 1,1072 18.164,1073 2.988,1074 11.256,1075 13.942,1076 4.472,1077 21.971,1078 10.647,1079 2.869,1080 11.149,1081 19.964,1082 2.275,1083 12.436,1084 15.513,1085 5.118,1086 24.376,1087 11.769,1088 2.8,1089 8.995,1090 21.778,1091 4.578,1092 13.465,1093 16.905,1094 5.506,1095 26.697,1096 12.711,1097 2.666,1098 8.686,1099 23.602,1100 3.791,1101 14.611,1102 18.437,1103 6.093,1104 29.092,1105 13.79,1106 2.611,1107 7.697,1108 25.437,1109 3.479,1110 15.695,1111 19.891,1112 6.532,1113 31.456,1114 14.79,1115 2.413,1116 7.623,1117 27.28,1118 3.279,1119 16.832,1120 21.409,1121 7.084,1122 33.852,1123 15.855,1124 2.368,1125 7.144,1126 29.131,1127 3.119,1128 17.947,1129 22.895,1130 7.551,1131 36.238,1132 16.886,1133 28878,1134 44520,1135 32.709,1136 50.5,1137 71.194,1138 71.969,1139 71.297,1140 70.818,1141 70.826,1142 88.25,1143 10.904,1144 204.948,1145 66.532,1146 5.64,1147 5.562,1148 6.562,1149 5.305,1150 5.237,1151 7.578,1152 2.912,1153 18.438,1154 4.997,1155 13.017,1156 1.515,1157 1.531,1158 1.517,1159 1.507,1160 1.507,1161 1.878,1162 0.232,1163 4.361,1164 1.416,1165 4.115,1166 4.143,1167 4.339,1168 4.076,1169 7.431,1170 4.038,1171 3.909,1172 3.948,1173 3.894,1174 3.836,1175 5.051,1176 3.824,1177 3.889,1178 3.931,1179 3.807,1180 3.747,1181 4.907,1182 3.754,1183 3.856,1184 3.913,1185 3.799,1186 3.732,1187 4.7,1188 3.735,1189 3.802,1190 3.851,1191 3.703,1192 3.613,1193 4.659,1194 3.623,1195 3.449,1196 3.502,1197 3.454,1198 3.252,1199 4.42,1200 3.268,1201 3.361,1202 3.425,1203 3.301,1204 3.108,1205 4.258,1206 3.148,1207 3.213,1208 3.307,1209 3.081,1210 2.975,1211 4.048,1212 2.98,1213 0.099,1214 0.076,1215 0.144,1216 0.089,1217 0.069,1218 4.64,1219 0.097,1220 3.562,1221 0.035,1222 6.761,1223 0.237,1224 4.163,1225 0.064,1226 3.237,1227 4.578,1228 1.656,1229 11.149,1230 2.997,1231 1.946,1232 1.919,1233 2.024,1234 2.065,1235 1.312,1236 2.052,1237 1.823,1238 1.782,1239 1.998,1240 2.019,1241 1.255,1242 2.021,1243 1.795,1244 1.739,1245 1.934,1246 1.982,1247 1.219,1248 1.969,1249 1.772,1250 1.726,1251 1.886,1252 1.924,1253 1.106,1254 1.921,1255 1.604,1256 1.543,1257 1.86,1258 1.769,1259 0.945,1260 1.798,1261 1.585,1262 1.541,1263 1.727,1264 1.76,1265 0.932,1266 1.756,1267 1.482,1268 1.457,1269 1.604,1270 1.626,1271 0.858,1272 1.651,1273 1.256,1274 1.213,1275 1.513,1276 1.55,1277 0.825,1278 1.508,1279 4.554,1281 5.894,1282 3.045,1283 7.415,1284 5.416,1285 9.018,1286 7.506,1287 10.667,1289 2.19,1295 9.28,1296 5.665,1297 6.137,1299 0.547,1300 7.329,1305 47.636,1306 120.981,1307 280.674,1308 360.981,1309 395.652,1310 408.407,1311 408.407,1312 58.658,1313 9.171,1314 98.75,1315 126.99,1316 40,1317 13.06,1318 4.585,1319 3.7,1320 54.227,1321 216,1322 259,1323 0.117,1324 288.063,1325 492.49,1326 694.635,1327 141678,1329 27.761,1330 0.677,1331 0.584,1332 28.114,1333 23.939,1334 20.052,1335 0.427,1336 0.321,1337 14.107,1338 18.783,1339 13.756,1340 11.272,1341 20.46,1342 15.075,1343 18.656,1344 0.278,1345 0.183,1346 19.299,1347 12.275,1348 15.661,1349 0.176,1350 0.103,1351 16.449,1352 9.149,1353 13.698,1354 0.111,1355 0.057,1356 14.636,1357 6.988,1358 11.42,1359 0.071,1360 0.032,1361 12.3,1362 5.108,1363 0.187,1364 129.805,1365 0.175,1366 36.944,1367 0.315,1368 228,1369 602.868,1370 276.169,1371 602.979,1372 840.92,1373 570,1374 270,1375 615.777,1376 318.49,1377 637.925,1378 941.85,1379 601,1380 6.83}
{0 CHEMBL594669,1 1.645,2 9.174,3 1.167,4 1.362,5 83.072,6 7.784,7 0.615,8 3.833,9 3.95,10 3.444,11 3.309,12 4.943,13 3.326,14 4.372,15 4.543,16 3.788,17 3.698,18 5.455,19 3.695,20 4.547,21 4.755,22 3.813,23 3.803,24 5.566,25 3.759,26 4.557,27 4.787,28 3.746,29 3.754,30 5.594,31 3.705,32 4.509,33 4.743,34 3.692,35 3.725,36 5.485,37 3.674,38 4.459,39 4.671,40 3.658,41 3.704,42 5.455,43 3.652,44 4.439,45 4.668,46 3.468,47 3.582,48 5.514,49 3.5,50 4.243,51 4.498,52 3.059,53 3.37,54 5.092,55 3.226,56 0.076,57 0.644,58 7.869,59 3.212,60 8.613,61 4.171,62 0.355,63 1.016,64 15.8,65 5.316,66 24.361,67 6.965,68 0.375,69 1.157,70 19.808,71 6.712,72 24.846,73 9.48,74 0.363,75 1.155,76 20.519,77 6.28,78 34.615,79 9.238,80 0.365,81 1.085,82 19.906,83 5.955,84 30.109,85 8.862,86 0.301,87 1.065,88 17.737,89 5.56,90 21.434,91 8.136,92 0.476,93 0.942,94 18.584,95 5.536,96 41.844,97 8.079,98 0.19,99 0.717,100 15.894,101 5.836,102 19.432,103 8.36,104 3,105 36,106 0.29,107 0.667,108 0.788,109 0.806,110 0.806,111 0.806,112 3.19,113 0.876,114 -3.6,115 -3.57,116 -3.4,119 40,125 5,142 4,143 2,147 1,149 2,152 1,160 1,172 6,174 3,175 2,178 1,180 1,183 6,186 1,187 4,190 3,192 2,195 3,198 3,199 6,204 2,211 1,212 6,217 2,224 4,227 1,229 2,236 2,237 3,240 2,242 2,250 2,255 1,263 2,266 2,275 667,276 16.162,277 16.162,278 16.162,279 16.162,280 16.162,281 14.397,282 15.171,283 9.611,284 16.68,285 12.807,286 12.807,287 12.807,288 12.807,289 12.807,290 10.053,291 20.255,292 4.505,293 13.648,294 3.677,295 1.54,296 0.85,297 0.75,298 0.75,299 0.75,300 3.892,304 1,305 1,306 467,307 2.121,310 48.554,311 179.399,314 85.561,318 1.327,319 20.972,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50.5,331 211,332 4.603,333 3.304,334 6.731,335 4.133,336 3.193,337 4.529,338 0.86,339 11.011,340 3.002,341 4.142,342 2.881,343 6.106,344 3.748,345 2.771,346 3.767,347 0.8,348 8.929,349 2.709,350 3.738,351 2.726,352 5.766,353 3.429,354 2.508,355 3.142,356 0.765,357 7.809,358 2.325,359 3.707,360 2.544,361 5.296,362 3.332,363 2.357,364 3.031,366 6.765,367 2.275,368 3.015,369 2.233,370 4.68,371 2.694,372 1.791,373 2.212,375 4.789,376 1.613,377 2.989,378 1.605,379 4.434,380 2.467,381 1.525,382 2.095,384 4.31,385 1.432,386 2.551,387 1.554,388 3.715,389 2.108,390 1.238,391 1.574,393 2.925,394 1.071,395 2.5,396 1.256,397 3.454,398 2,399 1.056,400 1.5,402 2.394,403 1,404 2.379,405 1.123,406 3.414,407 1.974,408 1,409 1.365,411 2.275,412 0.967,413 2,414 1,415 3.338,416 1.952,417 1,418 1,420 2.136,421 0.946,422 1.945,423 0.965,424 3.247,425 1.496,426 0.592,427 0.77,428 1.513,429 0.532,430 1.644,431 0.603,432 2.801,433 1.339,434 0.444,435 0.525,436 0.725,437 0.393,438 0.977,439 -0.227,440 2.692,441 0.541,442 -0.385,443 -0.494,445 -0.875,446 -0.355,447 0.805,448 -0.304,449 2.391,450 0.435,451 -0.498,452 -0.592,454 -1.182,455 -0.465,456 0.533,457 -0.36,458 2.178,459 0.042,460 -0.894,461 -1,463 -2.177,464 -0.832,465 10.667,466 0.464,467 0.41,468 0.018,469 31,470 1.348,471 14.5,472 0.63,473 16.5,474 0.717,475 16.213,476 0.705,477 24.733,478 0.618,479 20.982,480 0.912,481 6.222,482 0.271,483 5.126,484 0.223,485 0.031,487 0.319,493 0.977,494 1.514,495 0.748,496 1.147,497 0.931,498 0.941,499 1.22,500 0.987,501 0.943,502 0.867,503 0.981,504 0.861,505 0.825,506 1.106,507 0.895,508 1.012,509 0.604,510 0.98,511 0.875,512 1.093,513 0.962,514 0.995,515 0.955,516 0.983,517 0.91,518 1.003,519 0.923,520 0.848,521 0.901,522 0.863,523 0.907,524 1.189,525 1.104,526 1.112,527 0.711,528 1.116,529 0.939,530 0.897,531 1.222,532 1.05,533 0.791,534 1.151,535 0.678,536 1.043,537 1.017,538 1.271,539 0.694,540 1.228,541 3.5,542 0.045,543 2.444,544 0.938,545 1.048,546 0.892,547 0.361,548 0.14,549 0.173,550 0.103,551 5593,552 15330,553 2.196,554 42.5,556 14,558 1,559 2,564 1.661,565 2.123,566 3.156,567 0.364,568 1,569 1,571 1,573 65.781,574 1.645,575 3.782,576 4.472,577 4.572,578 4.572,579 4.572,580 2.666,581 3.969,582 4.492,583 3.267,584 826.474,585 7.758,586 9100.39,587 1,588 1,591 212.877,592 1.121,593 4.483,594 0.135,595 0.006,596 0.068,597 0.026,598 0.032,599 0.028,600 0.012,601 0.006,602 0.012,603 0.009,604 0.334,605 0.5,606 1,607 0.59,608 105.877,609 -0.115,610 -0.313,611 0.054,612 -0.097,613 -0.106,614 -0.008,615 -0.124,616 0.13,617 -0.038,618 0.107,619 -0.1,620 0.05,621 0.04,622 -0.065,623 0.032,624 -0.024,625 0.077,626 -0.012,627 -0.045,628 -0.05,629 -0.016,630 -0.049,631 -0.044,632 -0.031,633 -0.083,634 0.025,635 0.031,636 0.108,637 -0.088,638 0.102,639 -0.115,640 -0.1,641 -0.196,642 -0.157,643 -0.101,644 -0.176,645 0.038,646 0.121,647 -0.256,648 -0.112,649 0.029,650 -0.212,651 0.034,652 -0.173,653 -0.042,654 -0.222,655 0.002,656 -0.158,657 1.474,658 3.163,659 0.913,660 17.043,661 1.012,662 1.135,663 2.369,664 5.612,665 0.663,666 3.296,667 3.611,668 3.932,669 4.22,670 4.477,671 4.605,672 4.779,673 4.883,674 4.949,675 5.004,676 5.293,677 0.642,678 311.38,679 3.296,680 4.828,681 5.694,682 6.575,683 7.46,684 8.352,685 9.245,686 10.142,687 11.039,688 11.939,689 12.5,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,731 40,733 16,734 1,735 26,737 43,738 16,739 11,740 2,741 4,746 4,747 5,752 1,761 11,762 5,777 1,778 1,781 17,782 6,783 2,784 7,787 1,790 5,794 0.75,795 2,796 1,806 1,811 1,812 3,815 1,838 1,839 1,840 3,848 23,853 1,854 5,856 1,859 1,870 5,871 1,874 1,877 10.833,878 7.083,879 5.111,880 2.347,881 3.073,882 1.422,883 0.993,884 3.854,885 10.353,886 3.555,887 4.171,888 4.827,889 5.464,890 6.027,891 6.441,892 6.928,893 7.354,894 7.645,895 8.014,896 1,897 36,898 8.475,900 3.618,901 7.696,902 16.28,904 13.447,905 2.196,906 50.5,910 176.567,911 74.806,912 70.266,914 53.683,917 74.806,918 230.25,919 70.266,921 13.396,922 80.588,923 81.746,924 30.324,925 4.472,926 164.795,928 176.567,929 145.073,930 53.683,933 180.61,935 53.683,937 38.8,938 51.873,939 50.357,941 176.567,942 123.95,943 74.806,946 176.567,947 28.283,948 49.648,949 16.786,950 104.04,951 176.567,952 123.95,953 74.806,955 0.573,956 0.346,957 0.192,958 0.106,959 19,960 7,961 0.07,962 3,963 1,964 1.095,965 3.567,966 192.98,967 0.095,968 21,969 96.042,974 14.425,975 6.144,976 2.756,977 1.505,978 107.164,979 9.233,980 13.58,981 3.131,984 3.261,986 59.469,987 375.322,988 34,999 40.465,1000 45.402,1001 0.309,1002 0.711,1003 0.84,1004 0.859,1005 0.859,1006 0.859,1007 4.779,1008 1.056,1009 5.659,1010 2.925,1011 4.29,1012 4.856,1013 1.528,1014 6.475,1015 4.173,1016 5.971,1017 1,1018 7.213,1019 2.394,1020 3.761,1021 4.62,1022 0.325,1023 7.38,1024 3.62,1025 7.276,1026 1,1027 8.87,1028 2.275,1029 5.878,1030 7.103,1031 1.175,1032 10.506,1033 5.661,1034 8.623,1035 0.592,1036 10.59,1037 2.136,1038 6.236,1039 7.784,1040 0.268,1041 12.273,1042 5.987,1043 10.007,1044 0.444,1045 12.352,1046 1.513,1047 7.761,1048 9.684,1049 0.908,1050 14.901,1051 7.446,1052 11.418,1053 -0.385,1054 14.143,1055 0.725,1056 8.528,1057 10.788,1058 0.188,1059 17.016,1060 8.168,1061 12.848,1062 -0.498,1063 15.953,1064 -0.875,1065 9.813,1066 12.453,1067 0.694,1068 19.481,1069 9.394,1070 3.193,1071 -0.894,1072 17.778,1073 -1.182,1074 10.777,1075 13.764,1076 0.125,1077 21.749,1078 10.302,1079 2.771,1080 11.011,1081 19.616,1082 -2.177,1083 11.966,1084 15.33,1085 0.523,1086 24.16,1087 11.433,1088 2.508,1089 8.929,1090 21.462,1091 4.529,1092 13.024,1093 16.74,1094 0.082,1095 26.495,1096 12.429,1097 2.357,1098 7.809,1099 23.316,1100 3.767,1101 14.179,1102 18.267,1103 0.389,1104 28.89,1105 13.525,1106 1.791,1107 6.765,1108 25.176,1109 3.142,1110 15.283,1111 19.726,1112 0.054,1113 31.257,1114 14.565,1115 1.525,1116 4.789,1117 27.041,1118 3.031,1119 16.428,1120 21.238,1121 0.287,1122 33.649,1123 15.649,1124 1.238,1125 4.31,1126 28.912,1127 2.212,1128 17.555,1129 22.721,1130 0.035,1131 36.03,1132 16.711,1133 5280,1134 8838,1135 18.087,1136 26.506,1137 39.042,1138 39.47,1139 39.505,1140 38.912,1141 38.949,1142 51.021,1143 4.849,1144 111.161,1145 36.531,1146 5.603,1147 5.304,1148 6.533,1149 5.236,1150 5.193,1151 7.529,1152 1.72,1153 18.221,1154 5.002,1155 6.34,1156 1.502,1157 1.518,1158 1.519,1159 1.497,1160 1.498,1161 1.962,1162 0.187,1163 4.275,1164 1.405,1165 4.104,1166 4.156,1167 4.081,1168 3.95,1169 6.457,1170 3.973,1171 3.885,1172 3.917,1173 3.825,1174 3.787,1175 5.18,1176 3.798,1177 3.724,1178 3.784,1179 3.608,1180 3.493,1181 4.726,1182 3.511,1183 3.348,1184 3.402,1185 3.274,1186 3.152,1187 4.622,1188 3.172,1189 3.111,1190 3.206,1191 2.985,1192 2.941,1193 4.427,1194 2.91,1195 3.102,1196 3.164,1197 2.866,1198 2.833,1199 4.038,1200 2.862,1201 2.884,1202 2.952,1203 2.794,1204 2.735,1205 3.674,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.578,1211 3.611,1212 2.62,1213 0.177,1214 0.127,1215 0.259,1216 0.159,1217 0.123,1218 4.603,1219 0.174,1220 3.304,1221 0.033,1222 6.731,1223 0.424,1224 4.133,1225 0.115,1226 3.193,1227 4.529,1228 0.86,1229 11.011,1230 3.002,1231 1.953,1232 1.925,1233 2.042,1234 2.083,1235 1.218,1236 2.065,1237 1.791,1238 1.746,1239 1.937,1240 1.963,1241 1.151,1242 1.963,1243 1.582,1244 1.531,1245 1.717,1246 1.806,1247 0.836,1248 1.788,1249 1.338,1250 1.256,1251 1.513,1252 1.645,1253 0.825,1254 1.607,1255 1.178,1256 1.13,1257 1.501,1258 1.434,1259 0.591,1260 1.429,1261 1.153,1262 1.064,1263 1.41,1264 1.376,1265 0.344,1266 1.427,1267 0.886,1268 0.821,1269 1.181,1270 1.106,1271 0.224,1272 1.107,1273 0.745,1274 0.674,1275 1.063,1276 1.062,1277 0.218,1278 1.087,1279 3.97,1281 5.283,1282 2.398,1283 6.808,1284 4.595,1285 8.426,1286 6.605,1287 10.095,1294 9.163,1295 3.015,1297 5.421,1300 2.192,1305 25.697,1306 65.781,1307 151.293,1308 178.877,1309 182.877,1310 182.877,1311 182.877,1312 27.507,1313 7.279,1314 87.16,1315 87.16,1316 23,1317 12.462,1318 4.087,1319 3.17,1320 31.703,1321 73,1322 86,1323 0.219,1324 156.147,1325 257.32,1326 372.757,1327 13049,1329 15.648,1330 0.68,1331 0.546,1332 15.648,1333 12.567,1334 11.348,1335 0.436,1336 0.292,1337 7.436,1338 10.774,1339 7.336,1340 6.002,1341 11.348,1342 7.589,1343 9.837,1344 0.273,1345 0.151,1346 9.837,1347 5.426,1348 8.839,1349 0.177,1350 0.079,1351 8.839,1352 3.972,1353 7.488,1354 0.112,1355 0.04,1356 7.488,1357 2.71,1358 6.103,1359 0.07,1360 0.021,1361 6.103,1362 1.832,1363 0.333,1364 72.093,1365 0.235,1366 22.221,1367 0.632,1368 124,1369 374.799,1370 138.503,1371 356.328,1372 494.7,1373 338,1374 148,1375 365.039,1376 163.865,1377 367.952,1378 546.72,1379 347,1380 5.539}
{0 CHEMBL594670,1 1.684,2 9.292,3 0.774,4 0.598,5 84.836,6 8.109,7 0.593,8 3.838,9 3.961,10 3.478,11 3.315,12 5.002,13 3.342,14 4.363,15 4.529,16 3.841,17 3.702,18 5.55,19 3.711,20 4.55,21 4.746,22 3.862,23 3.806,24 5.663,25 3.781,26 4.547,27 4.765,28 3.8,29 3.763,30 5.675,31 3.732,32 4.527,33 4.756,34 3.725,35 3.744,36 5.555,37 3.7,38 4.482,39 4.699,40 3.685,41 3.717,42 5.496,43 3.668,44 4.43,45 4.652,46 3.541,47 3.588,48 5.592,49 3.519,50 4.254,51 4.507,52 3.157,53 3.377,54 5.192,55 3.26,56 0.098,57 0.666,58 7.187,59 2.982,60 10.467,61 3.797,62 0.386,63 1.028,64 14.57,65 5.12,66 33.255,67 6.571,68 0.453,69 1.166,70 19.045,71 6.448,72 34.975,73 8.721,74 0.409,75 1.171,76 19.138,77 5.869,78 41.5,79 8.359,80 0.423,81 1.111,82 19.594,83 5.887,84 40.984,85 8.534,86 0.352,87 1.081,88 17.715,89 5.675,90 26.681,91 8.125,92 0.503,93 0.946,94 17.603,95 5.623,96 46.243,97 7.917,98 0.253,99 0.735,100 15.976,101 5.562,102 24.993,103 7.985,104 6,105 38,106 0.295,107 0.674,108 0.767,109 0.784,110 0.802,111 0.802,112 3.229,113 0.851,114 -3.45,115 -3.43,116 -3.27,119 40,125 4,142 4,143 2,147 1,149 2,152 1,158 1,160 1,163 1,164 1,165 1,172 6,174 3,175 3,177 1,178 2,180 1,183 6,185 1,186 1,187 6,190 3,192 2,195 3,197 2,198 3,199 8,204 2,209 2,211 1,212 7,217 2,222 1,224 4,227 1,229 2,236 4,237 3,239 2,240 2,242 2,250 2,255 1,262 2,263 2,265 2,266 2,275 772,276 16.499,277 16.499,278 16.499,279 16.499,280 16.499,281 14.59,282 13.279,283 9.748,284 16.976,285 13.348,286 13.348,287 13.348,288 13.348,289 13.348,290 10.394,291 17.213,292 4.625,293 14.111,294 3.638,295 1.478,296 0.95,297 0.85,298 0.75,299 0.75,300 3.929,304 1,305 1,306 490,307 2.55,310 52.272,311 191.194,314 91.894,318 1.399,319 25.314,322 1,323 1,324 1,325 0.8,327 1,328 1,329 0.83,330 53,331 223,332 4.603,333 3.5,334 6.731,335 4.134,336 3.193,337 4.53,338 0.98,339 11.011,340 3.006,341 4.207,342 3.303,343 6.122,344 3.823,345 2.829,346 3.832,347 0.86,348 8.965,349 2.811,350 3.917,351 2.823,352 5.885,353 3.569,354 2.59,355 3.347,356 0.8,357 8.066,358 2.535,359 3.737,360 2.638,361 5.764,362 3.413,363 2.487,364 3.043,366 7.795,367 2.29,368 3.148,369 2.233,370 4.681,371 2.699,372 1.794,373 2.407,375 4.79,376 1.624,377 3.015,378 2.04,379 4.494,380 2.612,381 1.646,382 2.1,384 4.492,385 1.577,386 2.712,387 1.555,388 3.809,389 2.188,390 1.259,391 1.74,393 2.996,394 1.168,395 2.51,396 1.442,397 3.654,398 2.086,399 1.167,400 1.5,402 2.758,403 1.054,404 2.5,405 1.256,406 3.448,407 2,408 1,409 1.49,411 2.351,412 1,413 2.374,414 1.045,415 3.414,416 1.952,417 1,418 1.358,420 2.275,421 0.946,422 2,423 1,424 3.326,425 1.941,426 1,427 1,428 2.136,429 0.936,430 1.933,431 0.612,432 3.247,433 1.438,434 0.534,435 0.734,436 1.46,437 0.482,438 1.052,439 0.161,440 2.706,441 0.604,442 -0.361,443 -0.478,445 -0.928,446 -0.341,447 0.871,448 -0.292,449 2.525,450 0.463,451 -0.476,452 -0.571,454 -1.205,455 -0.45,456 0.564,457 -0.36,458 2.182,459 0.068,460 -0.892,461 -1,463 -2,464 -0.836,465 11.067,466 0.461,467 0.538,468 0.022,469 33.25,470 1.385,471 16,472 0.667,473 17.25,474 0.719,475 16.511,476 0.688,477 25.533,478 0.638,479 23.569,480 0.982,481 6.691,482 0.279,483 5.029,484 0.21,485 0.066,487 0.352,493 0.901,494 1.471,495 0.713,496 1.102,497 0.727,498 0.894,499 1.028,500 0.989,501 0.855,502 0.882,503 0.579,504 0.846,505 0.981,506 1.095,507 0.927,508 0.991,509 0.847,510 0.967,511 0.933,512 1.118,513 1.007,514 1.018,515 0.981,516 1.012,517 0.93,518 0.997,519 0.974,520 0.878,521 0.887,522 0.907,523 0.864,524 1.138,525 1.068,526 1.095,527 0.564,528 1.098,529 0.803,530 0.883,531 1.15,532 1.101,533 0.58,534 1.178,535 0.742,536 1.011,537 0.997,538 1.203,539 0.699,540 1.168,541 4,542 0.098,543 2.889,544 1.188,545 1.088,546 0.955,547 0.443,548 0.14,549 0.21,550 0.189,551 6276,552 18718,553 2.161,554 40,556 12,558 1,559 3,564 1.672,565 2.057,566 3.188,567 1.08,569 1,571 1,573 67.367,574 1.684,575 3.844,576 4.372,577 4.472,578 4.572,579 4.572,580 2.69,581 3.835,582 4.554,583 3.336,584 920.609,585 7.877,586 10508,588 1,591 212.877,592 1.281,593 4.532,594 0.148,595 0.009,596 0.076,597 0.031,598 0.031,599 0.029,600 0.014,601 0.006,602 0.012,603 0.014,604 0.37,605 0.5,606 1,607 0.681,608 112.552,609 -0.13,610 -0.262,611 0.044,612 -0.08,613 -0.098,614 0.009,615 -0.02,616 0.122,617 0.017,618 0.096,619 0.107,620 0.061,621 -0.032,622 -0.071,623 -0.002,624 0.001,625 0.001,626 -0.007,627 -0.098,628 -0.067,629 -0.078,630 -0.073,631 -0.083,632 -0.07,633 -0.114,634 0.015,635 -0.022,636 0.087,637 -0.117,638 0.067,639 -0.1,640 -0.094,641 -0.152,642 -0.126,643 -0.055,644 -0.135,645 0.139,646 0.112,647 -0.187,648 -0.139,649 0.137,650 -0.215,651 0.014,652 -0.145,653 0.012,654 -0.157,655 0.004,656 -0.084,657 2.126,658 4.208,659 0.875,660 18.764,661 1.017,662 1.137,663 2.217,664 4.915,665 0.669,666 3.332,667 3.664,668 3.97,669 4.248,670 4.5,671 4.644,672 4.828,673 4.913,674 5.004,675 5.094,676 5.537,677 0.655,678 324.38,679 3.332,680 4.875,681 5.74,682 6.624,683 7.508,684 8.401,685 9.293,686 10.19,687 11.087,688 11.987,689 15,695 1,696 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,717 1,726 1,731 40,733 17,734 1,735 27,737 43,738 16,739 11,740 2,741 4,742 1,746 4,747 5,761 12,762 4,766 1,771 1,775 1,777 1,778 1,781 16,782 7,783 3,784 8,787 1,790 6,794 0.75,795 2,806 1,811 1,812 3,815 1,839 1,840 3,848 24,849 1,854 4,856 1,859 1,870 5,873 1,874 1,877 11.667,878 7.133,879 5.222,880 2.31,881 3.183,882 1.432,883 1.028,884 3.883,885 10.552,886 3.611,887 4.23,888 4.874,889 5.502,890 6.059,891 6.494,892 6.995,893 7.392,894 7.722,895 8.139,896 1,897 38,898 8.83,900 3.805,901 7.819,902 16.708,904 13.761,905 2.319,906 55.667,910 153.024,911 79.511,912 103.164,914 36.145,917 79.511,918 189.169,919 103.164,921 46.293,922 37.905,923 111.596,924 30.324,925 4.472,926 141.253,928 153.024,929 182.674,930 36.145,933 157.068,934 25.145,935 11,937 71.697,938 56.577,939 50.357,941 153.024,942 139.308,943 79.511,946 153.024,947 32.987,948 49.648,949 16.786,950 119.399,951 153.024,952 139.308,953 79.511,955 0.582,956 0.344,957 0.186,958 0.101,959 20,960 8,961 0.07,962 3,963 1,964 1.095,965 3.626,966 204.353,967 0.095,968 21,969 102.039,974 15.059,975 6.189,976 2.873,977 1.426,978 122.523,979 8.533,980 13.489,981 3.108,984 2.634,986 49.683,987 371.844,988 36,993 11.208,997 -0.459,999 40.683,1000 45.485,1001 0.316,1002 0.722,1003 0.821,1004 0.84,1005 0.859,1006 0.859,1007 4.844,1008 1.167,1009 5.72,1010 2.996,1011 4.344,1012 4.916,1013 1.679,1014 6.544,1015 4.244,1016 6.05,1017 1,1018 7.284,1019 2.758,1020 3.892,1021 4.732,1022 0.325,1023 7.469,1024 3.78,1025 7.361,1026 1,1027 8.951,1028 2.351,1029 5.943,1030 7.161,1031 1.481,1032 10.584,1033 5.758,1034 8.712,1035 1,1036 10.68,1037 2.275,1038 6.347,1039 7.866,1040 0.268,1041 12.352,1042 6.146,1043 10.099,1044 0.534,1045 12.448,1046 2.136,1047 7.841,1048 9.74,1049 1.348,1050 14.97,1051 7.576,1052 11.511,1053 -0.361,1054 14.242,1055 1.46,1056 8.631,1057 10.853,1058 0.188,1059 17.078,1060 8.336,1061 12.941,1062 -0.476,1063 16.055,1064 -0.928,1065 9.901,1066 12.504,1067 1.243,1068 19.534,1069 9.549,1070 3.193,1071 -0.892,1072 17.881,1073 -1.205,1074 10.871,1075 13.815,1076 0.125,1077 21.792,1078 10.476,1079 2.829,1080 11.011,1081 19.717,1082 -2,1083 12.052,1084 15.372,1085 1.157,1086 24.195,1087 11.602,1088 2.59,1089 8.965,1090 21.561,1091 4.53,1092 13.108,1093 16.781,1094 0.082,1095 26.523,1096 12.607,1097 2.487,1098 8.066,1099 23.411,1100 3.832,1101 14.257,1102 18.301,1103 1.086,1104 28.913,1105 13.699,1106 1.794,1107 7.795,1108 25.267,1109 3.347,1110 15.356,1111 19.757,1112 0.054,1113 31.274,1114 14.741,1115 1.646,1116 4.79,1117 27.128,1118 3.043,1119 16.496,1120 21.265,1121 1.026,1122 33.662,1123 15.822,1124 1.259,1125 4.492,1126 28.993,1127 2.407,1128 17.618,1129 22.745,1130 0.035,1131 36.041,1132 16.883,1133 5954,1134 10386,1135 18.493,1136 26.75,1137 41.315,1138 41.808,1139 41.594,1140 40.953,1141 40.996,1142 54.163,1143 5.28,1144 118.189,1145 38.859,1146 5.603,1147 5.5,1148 6.533,1149 5.237,1150 5.193,1151 7.53,1152 1.96,1153 18.221,1154 5.006,1155 9.043,1156 1.53,1157 1.548,1158 1.541,1159 1.517,1160 1.518,1161 2.006,1162 0.196,1163 4.377,1164 1.439,1165 4.105,1166 4.157,1167 4.082,1168 3.951,1169 7.437,1170 3.974,1171 3.893,1172 3.922,1173 3.844,1174 3.789,1175 5.18,1176 3.803,1177 3.724,1178 3.784,1179 3.608,1180 3.493,1181 4.9,1182 3.511,1183 3.402,1184 3.452,1185 3.355,1186 3.177,1187 4.699,1188 3.215,1189 3.156,1190 3.232,1191 3.08,1192 2.941,1193 4.621,1194 2.911,1195 3.111,1196 3.206,1197 2.866,1198 2.865,1199 4.413,1200 2.91,1201 2.899,1202 2.969,1203 2.824,1204 2.735,1205 4.036,1206 2.715,1207 2.854,1208 2.925,1209 2.687,1210 2.607,1211 3.674,1212 2.651,1213 0.17,1214 0.13,1215 0.249,1216 0.153,1217 0.118,1218 4.603,1219 0.168,1220 3.5,1221 0.036,1222 6.731,1223 0.408,1224 4.134,1225 0.111,1226 3.193,1227 4.53,1228 0.98,1229 11.011,1230 3.006,1231 1.952,1232 1.925,1233 2.031,1234 2.084,1235 1.216,1236 2.063,1237 1.79,1238 1.747,1239 1.934,1240 1.964,1241 1.111,1242 1.96,1243 1.582,1244 1.532,1245 1.711,1246 1.808,1247 0.825,1248 1.787,1249 1.338,1250 1.26,1251 1.513,1252 1.648,1253 0.82,1254 1.608,1255 1.199,1256 1.156,1257 1.486,1258 1.505,1259 0.383,1260 1.471,1261 1.153,1262 1.064,1263 1.367,1264 1.376,1265 0.256,1266 1.429,1267 0.886,1268 0.821,1269 1.181,1270 1.106,1271 0.218,1272 1.107,1273 0.776,1274 0.706,1275 1.065,1276 1.062,1277 0.209,1278 1.087,1279 4.007,1281 5.333,1282 2.398,1283 6.862,1284 4.595,1285 8.481,1286 6.605,1287 10.15,1293 5.282,1295 2.876,1297 5.411,1300 2.16,1305 26.192,1306 67.367,1307 153.758,1308 174.877,1309 178.877,1310 182.877,1311 182.877,1312 32.044,1313 7.369,1314 110.02,1315 110.02,1316 23,1317 12.51,1318 4.17,1319 3.322,1320 33.744,1321 79,1322 82,1323 0.213,1324 160.013,1325 265.68,1326 382.193,1327 14620,1329 16.518,1330 0.688,1331 0.537,1332 16.518,1333 12.898,1334 11.72,1335 0.434,1336 0.284,1337 7.507,1338 11.119,1339 7.414,1340 6.069,1341 11.72,1342 7.662,1343 10.567,1344 0.278,1345 0.145,1346 10.567,1347 5.513,1348 9.13,1349 0.176,1350 0.077,1351 9.13,1352 4.005,1353 7.704,1354 0.112,1355 0.04,1356 7.704,1357 2.735,1358 6.197,1359 0.07,1360 0.02,1361 6.197,1362 1.824,1363 0.326,1364 74.488,1365 0.233,1366 23.104,1367 0.607,1368 130,1369 411.697,1370 146.305,1371 393.694,1372 541.82,1373 370,1374 155,1375 402.005,1376 172.03,1377 404.125,1378 597.64,1379 381,1380 5.174}
{0 CHEMBL594793,1 1.657,2 11.9,3 3.475,4 12.076,5 114.494,6 7.954,7 0.457,8 4.109,9 4.222,10 3.787,11 3.689,12 5.114,13 3.658,14 4.677,15 4.839,16 4.158,17 4.088,18 5.697,19 4.029,20 4.928,21 5.148,22 4.151,23 4.149,24 5.859,25 4.072,26 4.854,27 5.091,28 4.092,29 4.098,30 5.83,31 4.013,32 4.779,33 4.983,34 4.078,35 4.11,36 5.814,37 4.02,38 4.74,39 4.915,40 4.136,41 4.181,42 5.709,43 4.071,44 4.796,45 4.996,46 3.959,47 4.148,48 5.69,49 4.005,50 4.752,51 5.005,52 3.635,53 3.923,54 5.649,55 3.751,56 0.035,57 0.847,58 10.758,59 4.941,60 6.898,61 6.106,62 0.312,63 1.415,64 22.563,65 8.839,66 27.525,67 11.001,68 0.509,69 1.688,70 33.811,71 10.425,72 42.46,73 13.869,74 0.323,75 1.596,76 29.67,77 10.001,78 38.261,79 13.474,80 0.426,81 1.492,82 30.672,83 10.086,84 48.281,85 12.212,86 0.279,87 1.489,88 26.986,89 10.517,90 29.195,91 12.699,92 0.212,93 1.501,94 31.11,95 11.974,96 25.683,97 14.891,98 0.378,99 1.323,100 28.819,101 10.809,102 45.344,103 14.549,104 2,105 51,106 0.273,107 0.628,108 0.765,109 0.814,110 0.814,111 0.814,112 3.441,113 0.979,114 -4.36,115 -4.29,116 -4.05,119 41.5,121 4,125 2,127 3,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,159 1,172 6,174 2,175 5,178 2,179 1,180 4,183 5,186 1,187 9,192 2,195 2,198 1,199 11,204 5,207 1,211 1,212 6,217 2,220 3,224 4,227 2,229 1,232 10,236 1,237 4,245 10,249 2,250 2,253 3,255 1,258 6,263 2,268 1,271 4,275 1530,276 20.806,277 20.806,278 20.806,279 20.806,280 20.806,281 18.886,282 24.334,283 12.074,284 21.414,285 17.363,286 17.363,287 17.363,288 17.363,289 17.363,290 14.365,291 37.439,292 5.842,293 18.405,294 4.071,295 1.919,296 1.087,297 0.792,298 0.792,299 0.792,300 4.157,304 1,305 1,306 828,307 3.162,308 60.133,310 136.955,311 244.066,312 88.999,314 123.64,318 1.92,319 25.095,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 64.5,331 357,332 4.605,333 3.566,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.155,342 3.377,343 6.115,344 3.812,345 2.863,346 3.774,347 0.86,348 8.994,349 2.73,350 3.909,351 3.09,352 5.907,353 3.729,354 2.772,355 3.207,356 0.8,357 8.458,358 2.648,359 3.875,360 2.782,361 5.633,362 3.661,363 2.696,364 3.091,365 0.247,366 7.816,367 2.574,368 3.661,369 2.673,370 5.497,371 3.395,372 2.43,373 2.844,375 7.163,376 2.337,377 3.524,378 2.522,379 5.384,380 3.215,381 2.29,382 2.692,384 7.093,385 2.115,386 3.311,387 2.386,388 4.879,389 2.941,390 1.945,391 2.418,393 5.638,394 1.921,395 2.953,396 2.093,397 4.712,398 2.839,399 1.879,400 2.142,402 5.199,403 1.794,404 2.879,405 1.582,406 4.575,407 2.402,408 1.481,409 1.879,411 4.419,412 1.364,413 2.697,414 1.535,415 4.389,416 2.366,417 1.44,418 1.732,420 4.175,421 1.317,422 2.54,423 1.063,424 3.572,425 2,426 1.051,427 1.558,428 2.414,429 1,430 2.5,431 1,432 3.414,433 1.933,434 1,435 1.5,436 2.275,437 0.905,438 1.995,439 0.964,440 3.413,441 1.651,442 0.72,443 0.825,445 1.778,446 0.662,447 1.688,448 0.813,449 3.267,450 1.422,451 0.542,452 0.656,454 1.487,455 0.469,456 1.369,457 0.632,458 3.054,459 1.217,460 0.274,461 0.29,463 0.712,464 0.257,465 14.5,466 0.483,467 0.721,468 0.024,469 37.5,470 1.25,471 16.5,472 0.55,473 21,474 0.7,475 26.935,476 0.898,477 31.7,478 0.598,479 25.63,480 0.854,481 6.607,482 0.22,483 8.102,484 0.27,485 0.023,487 0.372,493 0.823,494 1.287,495 0.716,496 0.957,497 0.593,498 0.887,499 0.891,500 1.13,501 0.912,502 1.028,503 0.548,504 1.006,505 1.309,506 1.093,507 0.922,508 0.889,509 0.996,510 0.9,511 0.973,512 1.005,513 0.785,514 0.805,515 0.992,516 0.85,517 1.313,518 0.891,519 1.205,520 0.922,521 1.649,522 0.862,523 0.871,524 0.968,525 1.169,526 1.137,527 0.917,528 1.106,529 0.637,530 1.196,531 1.327,532 1.404,533 0.503,534 1.271,535 0.546,536 0.937,537 0.977,538 1.105,539 0.512,540 1.176,541 6.5,542 0.149,543 2.722,544 1.563,545 1.333,546 0.979,547 0.502,548 0.317,549 0.245,550 0.148,551 13916,552 32752,553 2.268,554 43.4,556 12,557 1,559 2,561 8,564 1.727,565 2.195,566 3.5,567 0.243,569 1,573 87.821,574 1.657,575 3.809,576 4.641,577 4.935,578 4.935,579 4.935,580 2.944,581 4.44,582 4.873,583 3.718,584 1617.39,585 8.498,586 22435.7,588 1,590 1,591 303.58,592 1.136,593 4.868,594 0.186,595 0.007,596 0.057,597 0.034,598 0.03,599 0.022,600 0.011,601 0.008,602 0.009,603 0.006,604 0.372,605 0.17,606 0.88,607 0.327,608 154.428,609 -0.053,610 -0.14,611 0.078,612 0.008,613 -0.016,614 0.036,615 0.123,616 -0.037,617 -0.007,618 -0.064,619 0.147,620 -0.081,621 -0.127,622 -0.095,623 0.022,624 0.034,625 -0.071,626 0.041,627 -0.057,628 0.012,629 0.111,630 0.092,631 0.024,632 0.1,633 -0.196,634 0.171,635 -0.099,636 0.128,637 -0.173,638 0.095,639 -0.074,640 0.11,641 -0.12,642 -0.05,643 -0.139,644 -0.123,645 0.023,646 -0.19,647 -0.229,648 -0.277,649 -0.014,650 -0.238,651 0.208,652 -0.034,653 -0.054,654 -0.141,655 0.153,656 -0.149,657 1.814,658 4.951,659 0.867,660 31.933,661 1.004,662 1.124,663 3.13,664 9.796,665 0.688,666 3.584,667 3.951,668 4.22,669 4.543,670 4.779,671 4.949,672 5.153,673 5.308,674 5.451,675 5.609,676 7.081,677 0.65,678 421.57,679 3.584,680 5.153,681 6.028,682 6.929,683 7.816,684 8.719,685 9.612,686 10.517,687 11.415,688 12.321,689 9.4,695 1,696 2,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,731 53,733 17,734 1,735 35,737 58,738 22,739 12,740 2,741 4,746 6,747 8,751 1,755 7,758 7,761 13,762 9,766 1,771 1,775 1,778 1,781 23,782 7,783 2,784 8,785 1,790 5,794 0.667,795 2,801 1,806 1,809 1,811 2,812 3,813 1,815 1,839 1,840 4,842 1,848 30,854 6,855 2,856 1,858 3,859 1,865 1,870 3.8,873 1,874 1,877 13.667,878 9.35,879 6.278,880 3.408,881 3.19,882 1.384,883 1.048,884 4.704,885 11.507,886 3.807,887 4.404,888 4.969,889 5.595,890 6.131,891 6.549,892 7.058,893 7.517,894 7.835,895 8.255,896 0.875,897 46,898 11.16,900 4.987,901 7.567,902 21.94,904 19.436,905 2.067,906 62,908 1,909 1,910 247.193,911 118.421,912 72.717,914 36.145,916 31.278,917 87.144,918 283.338,919 72.717,921 50.371,922 55.03,923 69.716,924 13.539,925 19.121,926 266.7,928 247.193,929 159.861,930 36.145,931 31.278,933 155.352,934 119.314,935 11,937 52.515,938 71.446,939 33.571,940 31.278,941 247.193,942 108.862,943 118.421,946 247.193,947 63.391,948 58.155,949 36.022,950 69.716,951 247.193,952 108.862,953 118.421,955 0.592,956 0.329,957 0.184,958 0.097,959 29,960 11,961 0.069,962 4,963 3,964 1.192,965 4.368,966 285.54,967 0.231,968 25,969 132.452,970 1,974 18.672,975 7.559,976 3.973,977 2.111,978 108.862,979 11.865,980 9.766,983 1.692,984 3.423,986 36.022,987 474.476,988 44,993 11.951,997 -0.148,999 53.192,1000 59.567,1001 0.289,1002 0.665,1003 0.81,1004 0.862,1005 0.862,1006 0.862,1007 5.081,1008 1.879,1009 6.019,1010 5.638,1011 4.635,1012 5.091,1013 2.109,1014 6.843,1015 4.522,1016 6.28,1017 1.481,1018 7.579,1019 5.199,1020 4.29,1021 4.924,1022 1.305,1023 7.743,1024 4.142,1025 7.588,1026 1.44,1027 9.233,1028 4.419,1029 6.26,1030 7.26,1031 2.545,1032 10.82,1033 6.036,1034 8.925,1035 1.051,1036 10.94,1037 4.175,1038 6.686,1039 7.931,1040 2.354,1041 12.52,1042 6.409,1043 10.293,1044 1,1045 12.682,1046 2.414,1047 8.141,1048 9.772,1049 3.285,1050 15.128,1051 7.802,1052 11.682,1053 0.72,1054 14.449,1055 2.275,1056 8.923,1057 10.859,1058 3.414,1059 17.19,1060 8.516,1061 13.09,1062 0.542,1063 16.235,1064 1.778,1065 10.173,1066 12.499,1067 4.168,1068 19.64,1069 9.706,1070 3.209,1071 0.274,1072 18.035,1073 1.487,1074 11.13,1075 13.798,1076 4.466,1077 21.875,1078 10.589,1079 2.863,1080 11.052,1081 19.848,1082 0.712,1083 12.298,1084 15.354,1085 5.115,1086 24.275,1087 11.693,1088 2.772,1089 8.994,1090 21.672,1091 4.53,1092 13.342,1093 16.758,1094 5.504,1095 26.593,1096 12.66,1097 2.696,1098 8.458,1099 23.505,1100 3.774,1101 14.48,1102 18.28,1103 6.092,1104 28.981,1105 13.73,1106 2.43,1107 7.816,1108 25.346,1109 3.207,1110 15.569,1111 19.736,1112 6.531,1113 31.339,1114 14.741,1115 2.29,1116 7.163,1117 27.195,1118 3.091,1119 16.7,1120 21.245,1121 7.084,1122 33.728,1123 15.8,1124 1.945,1125 7.093,1126 29.05,1127 2.844,1128 17.814,1129 22.727,1130 7.551,1131 36.106,1132 16.835,1133 12338,1134 19092,1135 24.561,1136 36.438,1137 53.642,1138 54.67,1139 53.675,1140 53.069,1141 53.184,1142 66.272,1143 7.126,1144 157.348,1145 50.146,1146 5.605,1147 5.566,1148 6.225,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 7.335,1156 1.533,1157 1.562,1158 1.534,1159 1.516,1160 1.52,1161 1.893,1162 0.204,1163 4.496,1164 1.433,1165 4.097,1166 4.126,1167 4.318,1168 4.053,1169 7.431,1170 4.018,1171 3.919,1172 3.968,1173 3.888,1174 3.832,1175 5.055,1176 3.818,1177 3.889,1178 3.93,1179 3.805,1180 3.753,1181 4.705,1182 3.749,1183 3.834,1184 3.864,1185 3.759,1186 3.732,1187 4.662,1188 3.727,1189 3.393,1190 3.436,1191 3.422,1192 3.198,1193 4.359,1194 3.212,1195 3.285,1196 3.354,1197 3.24,1198 3.055,1199 4.292,1200 3.083,1201 3.104,1202 3.176,1203 3.064,1204 2.951,1205 3.993,1206 2.926,1207 3.093,1208 3.165,1209 2.89,1210 2.894,1211 3.802,1212 2.913,1213 0.132,1214 0.102,1215 0.193,1216 0.118,1217 0.092,1218 4.605,1219 0.129,1220 3.566,1221 0.047,1222 6.74,1223 0.316,1224 4.138,1225 0.085,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.945,1232 1.918,1233 2.023,1234 2.063,1235 1.255,1236 2.05,1237 1.776,1238 1.743,1239 1.887,1240 1.94,1241 1.219,1242 1.931,1243 1.604,1244 1.543,1245 1.86,1246 1.78,1247 1.106,1248 1.798,1249 1.581,1250 1.538,1251 1.711,1252 1.76,1253 0.865,1254 1.758,1255 1.388,1256 1.373,1257 1.558,1258 1.662,1259 0.825,1260 1.635,1261 1.372,1262 1.326,1263 1.513,1264 1.428,1265 0.814,1266 1.487,1267 1.153,1268 1.064,1269 1.388,1270 1.376,1271 0.621,1272 1.429,1273 1.038,1274 0.988,1275 1.216,1276 1.255,1277 0.496,1278 1.259,1279 4.263,1280 1.946,1281 5.617,1282 4.111,1283 7.152,1284 6.075,1285 8.772,1286 7.949,1287 10.439,1295 6.187,1296 5.818,1297 6.009,1299 0.956,1300 2.369,1305 34.465,1306 87.821,1307 201.857,1308 245.97,1309 261.58,1310 261.58,1311 261.58,1312 40.54,1313 8.317,1314 79.38,1315 107.62,1316 31,1317 12.841,1318 4.17,1319 3.322,1320 37.866,1321 125,1322 141,1323 0.144,1324 207.117,1325 352.27,1326 497.126,1327 51156,1329 20.079,1330 0.669,1331 0.577,1332 20.432,1333 17.322,1334 14.709,1335 0.42,1336 0.326,1337 10.485,1338 13.708,1339 10.262,1340 8.357,1341 15.163,1342 11.427,1343 13.828,1344 0.271,1345 0.181,1346 14.384,1347 9.234,1348 11.413,1349 0.17,1350 0.098,1351 12.102,1352 6.553,1353 10.132,1354 0.109,1355 0.054,1356 10.916,1357 5.026,1358 8.07,1359 0.068,1360 0.028,1361 8.654,1362 3.339,1363 0.228,1364 96.395,1365 0.202,1366 28.494,1367 0.391,1368 172,1369 453.933,1370 211.611,1371 456.82,1372 639.92,1373 432,1374 207,1375 471.167,1376 245.46,1377 486.031,1378 723.94,1379 461,1380 5.867}
{0 CHEMBL594844,1 1.778,2 8.455,3 1.346,4 1.813,5 85.058,6 8.734,7 0.64,8 3.743,9 3.858,10 3.503,11 3.286,12 4.876,13 3.276,14 4.267,15 4.432,16 3.865,17 3.67,18 5.389,19 3.638,20 4.414,21 4.61,22 3.874,23 3.708,24 5.456,25 3.667,26 4.375,27 4.593,28 3.779,29 3.701,30 5.417,31 3.624,32 4.346,33 4.546,34 3.765,35 3.745,36 5.294,37 3.64,38 4.321,39 4.482,40 3.767,41 3.732,42 5.383,43 3.628,44 4.349,45 4.577,46 3.511,47 3.514,48 5.344,49 3.403,50 4.118,51 4.407,52 3.018,53 3.114,54 5.026,55 2.988,56 0.075,57 0.63,58 6.169,59 2.996,60 7.468,61 3.374,62 0.346,63 0.991,64 14.401,65 5.311,66 23.524,67 5.832,68 0.376,69 1.103,70 18.586,71 5.54,72 22.699,73 6.953,74 0.346,75 1.067,76 16.151,77 5.826,78 28.902,79 7.354,80 0.271,81 1.026,82 20.186,83 7.082,84 16.743,85 8.273,86 0.249,87 1.028,88 17.582,89 6.883,90 17.181,91 7.598,92 0.303,93 0.928,94 19.067,95 6.048,96 25.732,97 7.776,98 0.314,99 0.652,100 16.026,101 4.695,102 26.533,103 6.362,104 2,105 35,106 0.32,107 0.691,108 0.791,109 0.791,110 0.791,111 0.791,112 3.148,113 0.942,114 -2.96,115 -2.96,116 -2.86,119 38.9,125 4,142 1,143 1,145 2,146 1,147 1,149 1,150 1,151 1,152 1,163 1,164 1,165 1,174 3,175 5,177 2,178 2,183 1,186 1,187 3,198 5,199 3,204 1,207 1,209 1,211 1,220 1,223 2,224 3,226 2,227 2,236 1,237 4,252 1,253 1,255 1,260 1,262 2,268 1,273 1,275 576,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 13.617,283 9.113,284 16.012,285 12.38,286 12.38,287 12.38,288 12.38,289 12.38,290 9.63,291 17.362,292 4.366,293 13.537,294 3.392,295 1.333,296 0.778,297 0.778,298 0.778,299 0.778,300 3.85,303 1,304 1,305 1,306 414,307 1.871,310 44.836,311 167.604,314 79.227,318 1.182,319 18.303,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 48,331 186,332 4.603,333 3.304,334 6.731,335 4.121,336 3.193,337 4.529,338 0.86,339 11.011,340 2.962,341 4.132,342 2.843,343 6.104,344 3.713,345 2.761,346 3.758,347 0.8,348 8.921,349 2.627,350 3.738,351 2.667,352 5.765,353 3.426,354 2.504,355 3.108,357 7.807,358 2.304,359 3.654,360 2.352,361 5.045,362 3.176,363 2.27,364 3.022,366 6.092,367 2.055,368 3.015,369 2.233,370 4.679,371 2.704,372 1.791,373 2.182,375 4.788,376 1.628,377 2.963,378 1.556,379 4.396,380 2.395,381 1.49,382 2.092,384 4.213,385 1.341,386 2.545,387 1.511,388 3.71,389 2.1,390 1.236,391 1.567,393 2.921,394 1.057,395 2.5,396 1.256,397 3.452,398 1.952,399 1.048,400 1.5,402 2.388,403 0.946,404 2.378,405 1.055,406 3.414,407 1.931,408 1,409 1.364,411 2.275,412 0.916,413 2,414 1,415 3.333,416 1.917,417 1,418 1,420 2.136,421 0.903,422 1.938,423 0.618,424 3.247,425 1.421,426 0.547,427 0.747,428 1.49,429 0.47,430 1.166,431 -0.052,432 2.708,433 0.74,434 -0.171,435 -0.217,436 -0.385,437 -0.155,438 0.902,439 -0.299,440 2.555,441 0.477,442 -0.434,443 -0.525,445 -1.151,446 -0.392,447 0.576,448 -0.36,449 2.182,450 0.093,451 -0.825,452 -1,454 -2.085,455 -0.747,456 0.5,457 -0.741,458 2,459 -0.009,460 -0.949,461 -1.011,463 -2.347,464 -0.846,465 10.567,466 0.48,467 0.448,468 0.02,469 31,470 1.409,471 15,472 0.682,473 16,474 0.727,475 15.602,476 0.709,477 23.033,478 0.64,479 19.465,480 0.885,481 5.888,482 0.268,483 4.922,484 0.224,485 0.038,487 0.322,493 0.982,494 1.404,495 0.686,496 0.957,497 1.007,498 0.857,499 1.247,500 0.868,501 0.905,502 0.793,503 0.793,504 0.774,505 1.172,506 1.239,507 0.894,508 0.962,509 0.895,510 0.908,511 0.773,512 0.797,513 0.82,514 0.768,515 0.914,516 0.904,517 0.729,518 0.997,519 1.187,520 1.123,521 0.652,522 0.958,523 0.726,524 1.149,525 1.387,526 1.528,527 0.715,528 1.38,529 0.927,530 1.236,531 1.098,532 1.291,533 1.015,534 1.272,535 1.15,536 0.778,537 0.776,538 0.712,539 1.163,540 0.886,541 3.5,542 0.025,543 2.444,544 0.938,545 1.008,546 0.83,547 0.361,548 0.14,549 0.161,550 0.087,551 4914,552 14443,553 2.205,554 38.9,556 9,557 1,558 2,559 2,564 1.65,565 2.129,566 3.06,567 0.438,568 1,569 1,571 1,573 64.002,574 1.778,575 3.837,576 4.392,577 4.392,578 4.392,579 4.392,580 2.465,581 3.789,582 4.43,583 3.152,584 728.018,585 7.639,586 7745.67,587 1,588 1,591 186.117,592 1.143,593 4.418,594 0.14,595 0.008,596 0.07,597 0.028,598 0.033,599 0.027,600 0.012,601 0.007,602 0.012,603 0.011,604 0.347,605 0.5,606 1,607 0.405,608 99.081,609 -0.132,610 -0.267,611 0.063,612 -0.034,613 -0.13,614 0.003,615 -0.076,616 0.208,617 0.006,618 0.162,619 0.11,620 0.107,621 -0.125,622 -0.229,623 0.02,624 -0.034,625 -0.016,626 0.013,627 0.029,628 0.229,629 0.029,630 0.118,631 -0.019,632 0.029,633 0.001,634 0.018,635 -0.053,636 0.025,637 0.034,638 0.076,639 0.06,640 -0.076,641 -0.304,642 -0.392,643 0.018,644 -0.405,645 0.007,646 -0.314,647 -0.111,648 -0.316,649 -0.091,650 -0.273,651 -0.075,652 0.024,653 0.141,654 0.143,655 -0.064,656 0.147,657 1.422,658 1.927,659 0.955,660 14.942,661 1.015,662 1.133,663 1.725,664 2.977,665 0.7,666 3.258,667 3.584,668 3.892,669 4.19,670 4.454,671 4.564,672 4.727,673 4.852,674 4.89,675 4.905,676 4.974,677 0.67,678 314.41,679 3.258,680 4.796,681 5.659,682 6.544,683 7.428,684 8.322,685 9.215,686 10.113,687 11.011,688 11.912,689 16.7,693 1,695 1,699 4,703 2,704 4,705 4,708 1,709 4,711 16,722 1,726 1,731 36,733 16,735 25,737 39,738 14,739 10,746 4,747 5,761 10,762 4,777 1,778 1,781 14,782 7,783 2,784 8,785 1,790 6,794 0.75,795 1,806 2,811 1,812 3,815 1,839 1,840 3,842 1,848 22,849 1,854 4,856 1,859 1,865 1,870 2.8,874 1,877 10.333,878 6.5,879 4.778,880 2.079,881 3.054,882 1.425,883 1.034,884 3.601,885 10.236,886 3.526,887 4.155,888 4.803,889 5.445,890 6.01,891 6.414,892 6.893,893 7.335,894 7.604,895 7.945,896 0.833,897 34,898 8.084,900 3.453,901 7.652,902 15.532,904 12.833,905 2.152,906 47.333,910 141.253,911 92.524,912 103.164,914 11,916 31.278,917 61.247,918 152.253,919 103.164,921 13.396,922 50.023,923 101.684,924 28.877,925 16.744,926 137.218,928 141.253,929 164.41,930 11,931 31.278,933 143.581,935 11,937 35.534,938 59.406,939 67.142,940 31.278,941 141.253,942 114.164,943 92.524,946 141.253,947 57.304,948 38.344,950 111.039,951 141.253,952 114.164,953 92.524,955 0.579,956 0.34,957 0.19,958 0.109,959 19,960 7,961 0.051,962 2,963 1,964 1.095,965 3.47,966 183.032,967 0.095,968 21,969 90.107,970 1,974 13.794,975 5.744,976 2.655,977 2.037,978 114.164,979 7.345,980 17.399,983 1.655,984 2.577,986 32.897,987 347.941,988 33,999 36.549,1000 40.78,1001 0.344,1002 0.742,1003 0.85,1004 0.85,1005 0.85,1006 0.85,1007 4.754,1008 1.048,1009 5.631,1010 2.921,1011 4.263,1012 4.84,1013 1.235,1014 6.447,1015 4.096,1016 5.953,1017 1,1018 7.185,1019 2.388,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.557,1025 7.26,1026 1,1027 8.841,1028 2.275,1029 5.849,1030 7.092,1031 0.938,1032 10.48,1033 5.543,1034 8.607,1035 0.547,1036 10.562,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.247,1042 5.866,1043 9.992,1044 -0.171,1045 12.324,1046 1.49,1047 7.734,1048 9.675,1049 0.732,1050 14.883,1051 7.297,1052 11.402,1053 -0.434,1054 14.115,1055 -0.385,1056 8.506,1057 10.779,1058 0.188,1059 17.002,1060 8.012,1061 12.832,1062 -0.825,1063 15.927,1064 -1.151,1065 9.79,1066 12.445,1067 0.57,1068 19.471,1069 9.218,1070 3.193,1071 -0.949,1072 17.754,1073 -2.085,1074 10.756,1075 13.756,1076 0.125,1077 21.741,1078 10.12,1079 2.761,1080 11.011,1081 19.593,1082 -2.347,1083 11.947,1084 15.324,1085 0.438,1086 24.155,1087 11.235,1088 2.504,1089 8.921,1090 21.442,1091 4.529,1092 13.007,1093 16.735,1094 0.082,1095 26.491,1096 12.224,1097 2.27,1098 7.807,1099 23.298,1100 3.758,1101 14.164,1102 18.262,1103 0.334,1104 28.888,1105 13.306,1106 1.791,1107 6.092,1108 25.16,1109 3.108,1110 15.269,1111 19.722,1112 0.054,1113 31.255,1114 14.338,1115 1.49,1116 4.788,1117 27.028,1118 3.022,1119 16.416,1120 21.234,1121 0.252,1122 33.647,1123 15.409,1124 1.236,1125 4.213,1126 28.9,1127 2.182,1128 17.544,1129 22.718,1130 0.035,1131 36.029,1132 16.462,1133 4614,1134 8034,1135 17.394,1136 25.182,1137 37.891,1138 37.868,1139 38.155,1140 37.647,1141 37.676,1142 49.736,1143 3.32,1144 108.083,1145 34.42,1146 5.603,1147 5.304,1148 6.533,1149 5.225,1150 5.193,1151 7.529,1152 1.72,1153 18.221,1154 4.86,1155 6.007,1156 1.516,1157 1.515,1158 1.526,1159 1.506,1160 1.507,1161 1.989,1162 0.133,1163 4.323,1164 1.377,1165 4.077,1166 4.104,1167 4.317,1168 4.041,1169 5.245,1170 3.999,1171 3.804,1172 3.856,1173 3.821,1174 3.667,1175 5.021,1176 3.675,1177 3.72,1178 3.767,1179 3.638,1180 3.518,1181 4.616,1182 3.527,1183 3.256,1184 3.317,1185 3.333,1186 3.063,1187 4.582,1188 3.081,1189 3.111,1190 3.206,1191 2.918,1192 2.941,1193 4.277,1194 2.91,1195 3.004,1196 3.084,1197 2.866,1198 2.769,1199 3.962,1200 2.791,1201 2.783,1202 2.872,1203 2.815,1204 2.558,1205 3.958,1206 2.53,1207 2.679,1208 2.776,1209 2.56,1210 2.423,1211 3.523,1212 2.442,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.603,1219 0.181,1220 3.304,1221 0.034,1222 6.731,1223 0.44,1224 4.121,1225 0.118,1226 3.193,1227 4.529,1228 0.86,1229 11.011,1230 2.962,1231 1.887,1232 1.853,1233 1.957,1234 2.056,1235 1.217,1236 2.031,1237 1.709,1238 1.659,1239 1.861,1240 1.932,1241 0.945,1242 1.915,1243 1.571,1244 1.526,1245 1.681,1246 1.766,1247 0.825,1248 1.744,1249 1.379,1250 1.374,1251 1.513,1252 1.436,1253 0.744,1254 1.493,1255 1.153,1256 1.064,1257 1.388,1258 1.376,1259 0.621,1260 1.429,1261 1.002,1262 0.93,1263 1.229,1264 1.29,1265 0.225,1266 1.293,1267 0.721,1268 0.654,1269 1.038,1270 1.054,1272 1.058,1273 0.618,1274 0.524,1275 0.921,1276 0.912,1278 0.918,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.398,1286 6.605,1287 10.068,1293 5.542,1295 3.109,1297 5.427,1300 2.242,1305 24.138,1306 64.002,1307 138.117,1308 158.117,1309 158.117,1310 158.117,1311 158.117,1312 23.349,1313 7.182,1314 90.05,1315 118.29,1316 23,1317 12.434,1318 4.087,1319 3.17,1320 29.704,1321 66,1322 71,1323 0.228,1324 150.891,1325 243.44,1326 359.934,1327 11480,1329 14.941,1330 0.679,1331 0.572,1332 15.295,1333 12.584,1334 10.81,1335 0.432,1336 0.314,1337 6.907,1338 9.804,1339 6.731,1340 5.498,1341 11.264,1342 7.849,1343 9.668,1344 0.276,1345 0.167,1346 10.225,1347 5.851,1348 8.431,1349 0.176,1350 0.092,1351 9.12,1352 4.426,1353 7.178,1354 0.11,1355 0.05,1356 7.962,1357 3.268,1358 5.993,1359 0.071,1360 0.025,1361 6.589,1362 2.152,1363 0.344,1364 72.988,1365 0.24,1366 21.261,1367 0.67,1368 120,1369 368.134,1370 156.429,1371 374.248,1372 520.5,1373 354,1374 143,1375 375.262,1376 178.636,1377 391.834,1378 579.84,1379 369,1380 8.186}
{0 CHEMBL595053,1 1.664,2 11.793,3 3.334,4 11.116,5 112.032,6 7.876,7 0.485,8 4.075,9 4.192,10 3.741,11 3.638,12 5.107,13 3.605,14 4.649,15 4.816,16 4.135,17 4.054,18 5.686,19 3.998,20 4.906,21 5.124,22 4.134,23 4.127,24 5.851,25 4.05,26 4.839,27 5.078,28 4.051,29 4.078,30 5.824,31 3.987,32 4.758,33 4.965,34 4.057,35 4.089,36 5.788,37 3.996,38 4.723,39 4.899,40 4.105,41 4.154,42 5.703,43 4.04,44 4.778,45 4.986,46 3.917,47 4.108,48 5.678,49 3.961,50 4.718,51 4.974,52 3.601,53 3.88,54 5.629,55 3.708,56 0.035,57 0.826,58 10.749,59 4.801,60 7.061,61 6.005,62 0.328,63 1.373,64 22.637,65 8.582,66 28.378,67 10.793,68 0.496,69 1.642,70 33.213,71 10.107,72 41.142,73 13.662,74 0.348,75 1.558,76 29.546,77 9.741,78 42.839,79 13.278,80 0.4,81 1.458,82 30.332,83 9.957,84 45.06,85 12.301,86 0.275,87 1.465,88 26.897,89 10.38,90 28.895,91 12.631,92 0.22,93 1.46,94 31.272,95 11.754,96 26.463,97 14.758,98 0.378,99 1.263,100 28.13,101 10.357,102 45.239,103 14.004,104 9,105 47,106 0.276,107 0.632,108 0.781,109 0.823,110 0.823,111 0.823,112 3.408,113 0.989,114 -4.14,115 -4.09,116 -3.86,119 40.4,120 1,121 2,125 3,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,159 1,172 5,174 2,175 5,178 2,179 1,180 3,183 5,186 1,187 9,192 2,195 2,198 1,199 10,204 4,207 1,211 1,212 6,217 2,220 3,224 4,227 2,229 1,232 8,236 1,237 4,245 8,249 2,250 2,253 3,255 1,258 5,263 2,268 1,271 4,275 1384,276 20.074,277 20.074,278 20.074,279 20.074,280 20.074,281 18.154,282 22.753,283 11.856,284 20.724,285 16.329,286 16.329,287 16.329,288 16.329,289 16.329,290 13.321,291 32.439,292 5.636,293 17.384,294 4.036,295 1.894,296 0.998,297 0.745,298 0.745,299 0.745,300 4.121,304 1,305 1,306 769,307 3.24,310 130.518,311 233.213,312 84.978,314 117.706,318 1.898,319 23.903,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 342,332 4.605,333 3.545,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.154,342 3.377,343 6.115,344 3.808,345 2.861,346 3.773,347 0.86,348 8.994,349 2.724,350 3.908,351 3.09,352 5.907,353 3.694,354 2.74,355 3.2,356 0.8,357 8.458,358 2.586,359 3.823,360 2.777,361 5.498,362 3.476,363 2.516,364 3.09,365 0.247,366 7.341,367 2.406,368 3.528,369 2.523,370 5.47,371 3.215,372 2.29,373 2.715,375 7.159,376 2.115,377 3.463,378 2.393,379 4.879,380 3.056,381 2.078,382 2.681,384 5.638,385 2.02,386 2.962,387 2.093,388 4.821,389 2.839,390 1.879,391 2.165,393 5.493,394 1.794,395 2.879,396 1.582,397 4.578,398 2.416,399 1.497,400 1.879,402 4.426,403 1.375,404 2.697,405 1.536,406 4.397,407 2.367,408 1.442,409 1.732,411 4.196,412 1.318,413 2.54,414 1.51,415 3.573,416 2,417 1.068,418 1.559,420 2.417,421 1,422 2.5,423 1.063,424 3.414,425 1.991,426 1,427 1.5,428 2.275,429 0.98,430 2.122,431 1,432 3.414,433 1.926,434 1,435 1.077,436 1.791,437 0.901,438 1.993,439 0.964,440 3.267,441 1.651,442 0.719,443 0.822,445 1.685,446 0.662,447 1.688,448 0.655,449 3.109,450 1.417,451 0.538,452 0.655,454 1.465,455 0.465,456 1.314,457 0.512,458 2.774,459 0.947,460 -0.016,461 -0.019,463 -0.036,464 -0.015,465 14,466 0.483,467 0.653,468 0.023,469 36.5,470 1.259,471 16.5,472 0.569,473 20,474 0.69,475 25.846,476 0.891,477 31,478 0.596,479 25.5,480 0.879,481 6.662,482 0.23,483 7.529,484 0.26,485 0.06,487 0.35,493 0.836,494 1.337,495 0.732,496 0.991,497 0.623,498 0.919,499 0.903,500 1.057,501 0.88,502 0.961,503 0.56,504 0.935,505 1.291,506 1.12,507 0.917,508 0.907,509 0.983,510 0.913,511 0.999,512 0.975,513 0.81,514 0.788,515 0.99,516 0.856,517 1.206,518 0.907,519 1.173,520 0.935,521 1.467,522 0.861,523 0.872,524 1.004,525 1.187,526 1.174,527 0.917,528 1.146,529 0.632,530 1.193,531 1.31,532 1.395,533 0.502,534 1.256,535 0.549,536 0.93,537 0.965,538 1.094,539 0.516,540 1.16,541 6,542 0.175,543 2.667,544 1.535,545 1.243,546 0.948,547 0.473,548 0.345,549 0.256,550 0.132,551 11473,552 28995,553 2.193,554 44.2,556 13,557 1,559 2,561 7,564 1.719,565 2.096,566 3.473,567 0.262,568 1,569 1,573 86.533,574 1.664,575 3.807,576 4.703,577 4.955,578 4.955,579 4.955,580 2.952,581 4.28,582 4.823,583 3.666,584 1488.4,585 8.404,586 19952.2,588 1,590 1,591 296.423,592 1.247,593 4.809,594 0.182,595 0.009,596 0.057,597 0.034,598 0.03,599 0.022,600 0.011,601 0.01,602 0.01,603 0.006,604 0.371,605 0.33,606 0.88,607 1.104,608 147.163,609 -0.054,610 -0.172,611 0.075,612 -0.009,613 -0.038,614 0.02,615 0.121,616 0.045,617 0.036,618 0.013,619 0.139,620 -0.001,621 -0.122,622 -0.12,623 0.02,624 0.019,625 -0.065,626 0.028,627 -0.088,628 0.044,629 0.08,630 0.107,631 0.019,632 0.092,633 -0.16,634 0.156,635 -0.071,636 0.126,637 -0.139,638 0.107,639 -0.078,640 0.089,641 -0.138,642 -0.076,643 -0.145,644 -0.155,645 0.031,646 -0.185,647 -0.207,648 -0.26,649 -0.01,650 -0.216,651 0.211,652 -0.026,653 -0.046,654 -0.132,655 0.155,656 -0.138,657 1.875,658 4.701,659 0.793,660 29.952,661 1.004,662 1.126,663 2.911,664 8.474,665 0.681,666 3.526,667 3.871,668 4.174,669 4.5,670 4.736,671 4.92,672 5.118,673 5.278,674 5.416,675 5.557,676 6.806,677 0.644,678 409.56,679 3.526,680 5.081,681 5.948,682 6.843,683 7.727,684 8.629,685 9.523,686 10.428,687 11.328,688 12.236,689 9.6,695 1,696 2,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,731 52,733 17,734 1,735 33,737 56,738 21,739 12,740 2,741 4,746 5,747 7,751 1,752 1,755 4,758 4,761 13,762 8,766 1,771 1,775 1,778 1,781 23,782 7,783 2,784 8,785 1,790 5,794 0.6,795 2,801 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,844 1,848 29,854 5,855 2,856 1,858 2,859 1,865 1,870 3.8,873 1,874 1,877 13.833,878 9.517,879 6.278,880 3.367,881 3.177,882 1.39,883 1.024,884 5.205,885 11.316,886 3.761,887 4.353,888 4.948,889 5.576,890 6.116,891 6.542,892 7.049,893 7.508,894 7.823,895 8.237,896 0.875,897 45,898 10.755,900 4.671,901 7.609,902 20.964,904 17.901,905 2.109,906 61.167,908 1,909 1,910 247.193,911 124.283,912 72.717,914 36.145,916 31.278,917 93.006,918 283.338,919 72.717,920 8.825,921 47.408,922 55.03,923 69.716,924 13.539,925 19.121,926 266.7,928 247.193,929 165.722,930 36.145,931 31.278,933 167.123,934 107.543,935 11,937 58.377,938 71.446,939 33.571,940 31.278,941 247.193,942 108.862,943 124.283,946 247.193,947 60.428,948 66.98,949 36.022,950 69.716,951 247.193,952 108.862,953 124.283,955 0.581,956 0.337,957 0.191,958 0.099,959 25,960 10,961 0.071,962 4,963 3,964 1.217,965 4.14,966 267.954,967 0.261,968 22,969 130.881,970 1,974 18.92,975 7.978,976 3.869,977 2.1,978 108.862,979 11.764,980 9.73,983 1.686,984 3.373,986 36.022,987 480.338,988 42,993 11.701,997 -0.208,999 52.192,1000 58.567,1001 0.292,1002 0.668,1003 0.825,1004 0.869,1005 0.869,1006 0.869,1007 5.017,1008 1.497,1009 5.932,1010 5.493,1011 4.554,1012 5.04,1013 2.109,1014 6.753,1015 4.433,1016 6.207,1017 1.442,1018 7.488,1019 4.426,1020 4.111,1021 4.832,1022 1.305,1023 7.618,1024 3.942,1025 7.509,1026 1.068,1027 9.14,1028 4.196,1029 6.155,1030 7.223,1031 2.545,1032 10.739,1033 5.916,1034 8.846,1035 1,1036 10.847,1037 2.417,1038 6.538,1039 7.89,1040 2.354,1041 12.442,1042 6.232,1043 10.216,1044 1,1045 12.592,1046 2.275,1047 8.028,1048 9.751,1049 3.285,1050 15.068,1051 7.665,1052 11.611,1053 0.719,1054 14.364,1055 1.791,1056 8.798,1057 10.841,1058 3.414,1059 17.143,1060 8.357,1061 13.024,1062 0.538,1063 16.155,1064 1.685,1065 10.065,1066 12.488,1067 4.168,1068 19.603,1069 9.566,1070 3.209,1071 -0.016,1072 17.961,1073 1.465,1074 11.023,1075 13.79,1076 4.466,1077 21.848,1078 10.443,1079 2.861,1080 11.052,1081 19.781,1082 -0.036,1083 12.201,1084 15.348,1085 5.115,1086 24.254,1087 11.559,1088 2.74,1089 8.994,1090 21.611,1091 4.53,1092 13.252,1093 16.755,1094 5.504,1095 26.578,1096 12.528,1097 2.516,1098 8.458,1099 23.451,1100 3.773,1101 14.398,1102 18.277,1103 6.092,1104 28.97,1105 13.607,1106 2.29,1107 7.341,1108 25.298,1109 3.2,1110 15.495,1111 19.734,1112 6.531,1113 31.331,1114 14.623,1115 2.078,1116 7.159,1117 27.152,1118 3.09,1119 16.633,1120 21.244,1121 7.084,1122 33.722,1123 15.69,1124 1.879,1125 5.638,1126 29.013,1127 2.715,1128 17.754,1129 22.726,1130 7.551,1131 36.102,1132 16.731,1133 10659,1134 17073,1135 22.77,1136 35.438,1137 50.176,1138 50.949,1139 50.605,1140 49.612,1141 49.676,1142 62.761,1143 7.126,1144 144.778,1145 46.654,1146 5.605,1147 5.545,1148 6.512,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 10.529,1156 1.52,1157 1.544,1158 1.533,1159 1.503,1160 1.505,1161 1.902,1162 0.216,1163 4.387,1164 1.414,1165 4.096,1166 4.123,1167 4.318,1168 4.052,1169 7.431,1170 4.017,1171 3.902,1172 3.94,1173 3.879,1174 3.827,1175 5.055,1176 3.812,1177 3.858,1178 3.885,1179 3.805,1180 3.736,1181 4.704,1182 3.735,1183 3.616,1184 3.687,1185 3.533,1186 3.38,1187 4.662,1188 3.394,1189 3.33,1190 3.39,1191 3.356,1192 3.176,1193 4.308,1194 3.174,1195 3.251,1196 3.324,1197 3.111,1198 3.025,1199 4.214,1200 3.039,1201 3.093,1202 3.176,1203 3.027,1204 2.951,1205 3.987,1206 2.926,1207 3.089,1208 3.151,1209 2.89,1210 2.863,1211 3.779,1212 2.881,1213 0.14,1214 0.107,1215 0.204,1216 0.125,1217 0.097,1218 4.605,1219 0.137,1220 3.545,1221 0.05,1222 6.74,1223 0.335,1224 4.138,1225 0.09,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.946,1232 1.918,1233 2.023,1234 2.063,1235 1.255,1236 2.051,1237 1.776,1238 1.743,1239 1.888,1240 1.945,1241 1.219,1242 1.934,1243 1.604,1244 1.543,1245 1.86,1246 1.826,1247 1.107,1248 1.827,1249 1.586,1250 1.54,1251 1.843,1252 1.76,1253 0.989,1254 1.798,1255 1.549,1256 1.472,1257 1.709,1258 1.746,1259 0.863,1260 1.742,1261 1.377,1262 1.372,1263 1.402,1264 1.465,1265 0.621,1266 1.492,1267 1.169,1268 1.118,1269 1.325,1270 1.417,1271 0.496,1272 1.431,1273 0.886,1274 0.836,1275 1.215,1276 1.077,1277 0.338,1278 1.114,1279 4.205,1281 5.541,1282 3.045,1283 7.066,1284 5.352,1285 8.681,1286 7.391,1287 10.347,1289 1.887,1295 4.62,1296 5.54,1297 5.998,1299 0.614,1300 2.362,1305 33.465,1306 86.533,1307 197.945,1308 244.549,1309 257.668,1310 257.668,1311 257.668,1312 40.013,1313 8.139,1314 79.38,1315 107.62,1316 28,1317 12.755,1318 4.17,1319 3.322,1320 39.664,1321 116,1322 149,1323 0.165,1324 204.918,1325 347.33,1326 491.761,1327 39894,1329 19.794,1330 0.683,1331 0.587,1332 20.148,1333 17.037,1334 14.191,1335 0.43,1336 0.33,1337 9.939,1338 13.176,1339 9.678,1340 7.946,1341 14.645,1342 10.883,1343 12.937,1344 0.275,1345 0.178,1346 13.494,1347 8.346,1348 11.051,1349 0.173,1350 0.098,1351 11.74,1352 6.267,1353 9.842,1354 0.111,1355 0.055,1356 10.626,1357 4.865,1358 7.68,1359 0.068,1360 0.028,1361 8.264,1362 3.21,1363 0.26,1364 93.335,1365 0.21,1366 27.517,1367 0.454,1368 160,1369 441.933,1370 199.278,1371 444.51,1372 619.74,1373 420,1374 191,1375 452.885,1376 228.96,1377 467.543,1378 694.79,1379 443,1380 5.899}
{0 CHEMBL595256,1 1.679,2 13.455,3 3.411,4 11.637,5 124.904,6 8.338,7 0.579,8 4.147,9 4.256,10 3.858,11 3.735,12 5.238,13 3.715,14 4.695,15 4.842,16 4.249,17 4.148,18 5.788,19 4.107,20 4.956,21 5.158,22 4.242,23 4.22,24 5.953,25 4.154,26 4.908,27 5.145,28 4.15,29 4.154,30 5.909,31 4.071,32 4.817,33 5.016,34 4.177,35 4.153,36 5.931,37 4.079,38 4.786,39 4.955,40 4.21,41 4.218,42 5.837,43 4.124,44 4.821,45 5.012,46 4.053,47 4.194,48 5.789,49 4.072,50 4.786,51 5.021,52 3.793,53 4.018,54 5.76,55 3.874,56 0.054,57 0.879,58 9.848,59 4.809,60 8.003,61 5.649,62 0.338,63 1.468,64 20.608,65 8.558,66 28.252,67 10.083,68 0.543,69 1.795,70 32.057,71 10.761,72 43.689,73 13.406,74 0.375,75 1.715,76 30.366,77 10.584,78 41.523,79 13.879,80 0.491,81 1.576,82 30.488,83 10.404,84 53.119,85 12.152,86 0.345,87 1.56,88 26.402,89 10.402,90 34.859,91 11.891,92 0.273,93 1.56,94 30.532,95 11.907,96 29.579,97 14.277,98 0.408,99 1.43,100 28.083,101 10.901,102 47.463,103 14.303,104 2,105 54,106 0.272,107 0.628,108 0.771,109 0.829,110 0.843,111 0.843,112 3.532,113 0.934,114 -4.08,115 -4.03,116 -3.82,119 43.6,121 2,125 2,127 2,142 7,143 1,144 2,145 2,146 1,147 1,149 1,151 1,152 1,159 1,172 6,174 2,175 6,178 2,179 1,180 3,183 5,186 1,187 10,190 1,192 3,195 2,198 1,199 10,204 4,207 1,211 2,212 7,215 1,217 3,220 3,224 4,227 2,229 1,232 8,236 1,237 6,245 10,249 2,250 4,253 3,255 1,258 7,263 3,268 1,271 5,275 1980,276 22.927,277 22.927,278 22.927,279 22.927,280 22.927,281 20.256,282 24.334,283 13.56,284 23.6,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 14.837,291 37.439,292 6.567,293 20.001,294 4.103,295 1.906,296 1.026,297 0.668,298 0.582,299 0.582,300 4.255,304 1,305 1,306 1018,307 3.162,310 155.836,311 396.329,312 100.955,314 140.941,318 2.171,319 27.157,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 71,331 444,332 4.605,333 3.562,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.156,342 3.377,343 6.115,344 3.81,345 2.862,346 3.774,347 0.86,348 8.994,349 2.726,350 3.972,351 3.09,352 5.907,353 3.703,354 2.75,355 3.478,356 0.8,357 8.458,358 2.595,359 3.906,360 2.779,361 5.567,362 3.592,363 2.631,364 3.184,365 0.247,366 7.633,367 2.519,368 3.759,369 2.551,370 5.497,371 3.354,372 2.392,373 3.088,375 7.161,376 2.297,377 3.525,378 2.516,379 5.323,380 3.215,381 2.29,382 2.698,384 6.922,385 2.115,386 3.402,387 2.382,388 4.879,389 2.94,390 1.952,391 2.65,393 5.638,394 1.916,395 2.966,396 2.093,397 4.68,398 2.839,399 1.879,400 2.174,402 5.114,403 1.794,404 2.879,405 1.582,406 4.573,407 2.424,408 1.5,409 1.974,411 4.418,412 1.386,413 2.843,414 1.535,415 4.386,416 2.367,417 1.443,418 1.879,420 4.173,421 1.326,422 2.696,423 1.519,424 3.586,425 2.331,426 1.371,427 1.731,428 2.989,429 1.303,430 2.54,431 1.063,432 3.554,433 2,434 1.049,435 1.558,436 2.413,437 1,438 2.5,439 1,440 3.414,441 1.956,442 1,443 1.5,445 2.275,446 0.953,447 2.5,448 1,449 3.413,450 1.932,451 1,452 1.5,454 2.136,455 0.904,456 1.994,457 0.964,458 3.267,459 1.651,460 0.72,461 0.824,463 1.777,464 0.662,465 15.9,466 0.482,467 0.721,468 0.022,469 46,470 1.394,471 23,472 0.697,473 23,474 0.697,475 27.057,476 0.82,477 33.9,478 0.616,479 33.146,480 1.004,481 8.617,482 0.261,483 7.592,484 0.23,485 0.021,487 0.34,493 0.838,494 1.279,495 0.693,496 0.936,497 0.613,498 0.851,499 0.925,500 1.083,501 0.899,502 0.982,503 0.597,504 0.951,505 1.281,506 1.146,507 0.978,508 0.979,509 0.992,510 0.996,511 0.917,512 0.995,513 0.799,514 0.822,515 0.798,516 0.872,517 1.166,518 0.885,519 1.157,520 0.942,521 1.455,522 0.856,523 1.041,524 0.948,525 1.199,526 1.119,527 1.199,528 1.088,529 0.737,530 1.14,531 1.34,532 1.362,533 0.664,534 1.229,535 0.602,536 0.939,537 1.017,538 1.117,539 0.558,540 1.197,541 6.5,542 0.166,543 2.667,544 1.722,545 1.394,546 1.066,547 0.573,548 0.301,549 0.268,550 0.195,551 18268,552 47831,553 2.242,554 40,556 13,557 1,558 2,559 2,561 4,564 1.749,565 2.176,566 3.665,567 0.222,569 1,573 92.318,574 1.679,575 3.875,576 4.756,577 5.113,578 5.2,579 5.2,580 3.097,581 4.453,582 5.013,583 3.888,584 2052.65,585 8.764,586 31236.5,591 317.975,592 1.096,593 5.007,594 0.171,595 0.007,596 0.049,597 0.034,598 0.03,599 0.022,600 0.012,601 0.007,602 0.008,603 0.007,604 0.347,605 0.33,606 0.88,607 0.306,608 176.675,609 -0.066,610 -0.17,611 0.069,612 -0.011,613 -0.032,614 0.021,615 0.084,616 -0.002,617 -0.02,618 -0.036,619 0.107,620 -0.06,621 -0.126,622 -0.147,623 -0.044,624 -0.049,625 -0.078,626 -0.057,627 -0.05,628 0.005,629 0.118,630 0.088,631 0.088,632 0.102,633 -0.065,634 0.155,635 -0.049,636 0.107,637 -0.022,638 0.106,639 -0.126,640 0.102,641 -0.151,642 -0.054,643 -0.168,644 -0.132,645 -0.008,646 -0.154,647 -0.231,648 -0.242,649 -0.034,650 -0.203,651 0.171,652 -0.025,653 -0.084,654 -0.144,655 0.131,656 -0.161,657 1.99,658 5.242,659 0.879,660 38.303,661 1.007,662 1.121,663 2.853,664 8.142,665 0.703,666 3.664,667 4.007,668 4.304,669 4.625,670 4.86,671 5.004,672 5.198,673 5.357,674 5.493,675 5.652,676 7.923,677 0.672,678 458.59,679 3.664,680 5.22,681 6.084,682 6.974,683 7.853,684 8.748,685 9.635,686 10.534,687 11.426,688 12.329,689 10.9,695 1,696 2,699 3,703 2,704 10,705 3,708 1,709 5,711 22,726 1,731 55,733 23,734 1,735 38,737 60,738 24,739 17,740 2,741 4,746 6,747 8,751 1,755 4,758 4,761 18,762 6,766 1,771 1,775 1,778 1,781 22,782 8,783 2,784 9,785 1,790 6,794 0.667,795 2,801 1,805 1,806 1,811 2,812 4,813 1,815 1,839 1,840 4,842 1,848 33,854 4,855 2,856 1,858 2,859 1,865 1,870 3.6,873 1,874 1,877 15.167,878 9.8,879 7.028,880 3.326,881 4.024,882 1.468,883 1.048,884 5.503,885 12.627,886 3.932,887 4.535,888 5.122,889 5.742,890 6.274,891 6.62,892 7.112,893 7.567,894 7.878,895 8.309,896 0.889,897 51,898 12.21,900 5.353,901 7.631,902 23.621,904 20.209,905 2.131,906 70.333,909 1,910 235.422,911 153.156,912 89.502,914 36.145,916 31.278,917 121.879,918 271.567,919 89.502,921 45.302,922 73.983,923 110.044,924 34.39,925 19.121,926 231.386,928 235.422,929 211.381,930 36.145,931 31.278,933 190.666,934 72.229,935 11,937 65.541,938 93.156,939 50.357,940 31.278,941 235.422,942 125.647,943 153.156,946 235.422,947 61.079,948 95.202,949 36.022,950 86.501,951 235.422,952 125.647,953 153.156,955 0.584,956 0.337,957 0.191,958 0.102,959 29,960 11,961 0.067,962 4,963 3,964 1.172,965 4.597,966 319.197,967 0.207,968 28,969 154.465,970 1,974 20.668,975 8.787,976 4.341,977 2.072,978 125.647,979 18.486,980 13.763,983 1.678,984 3.887,986 36.022,987 514.226,988 50,993 12.242,997 -0.323,999 55.411,1000 61.65,1001 0.29,1002 0.67,1003 0.823,1004 0.884,1005 0.899,1006 0.899,1007 5.179,1008 1.879,1009 6.061,1010 5.638,1011 4.691,1012 5.223,1013 2.109,1014 6.868,1015 4.577,1016 6.37,1017 1.5,1018 7.606,1019 5.114,1020 4.205,1021 4.934,1022 1.305,1023 7.695,1024 4.042,1025 7.667,1026 1.443,1027 9.246,1028 4.418,1029 6.279,1030 7.397,1031 2.545,1032 10.817,1033 6.051,1034 8.996,1035 1.371,1036 10.943,1037 4.173,1038 6.621,1039 7.977,1040 2.354,1041 12.494,1042 6.325,1043 10.357,1044 1.049,1045 12.678,1046 2.989,1047 8.132,1048 9.891,1049 3.285,1050 15.117,1051 7.783,1052 11.742,1053 1,1054 14.44,1055 2.413,1056 8.872,1057 10.911,1058 3.414,1059 17.174,1060 8.442,1061 13.146,1062 1,1063 16.223,1064 2.275,1065 10.149,1066 12.588,1067 4.168,1068 19.63,1069 9.666,1070 3.209,1071 0.72,1072 18.022,1073 2.136,1074 11.086,1075 13.842,1076 4.466,1077 21.866,1078 10.52,1079 2.862,1080 11.052,1081 19.834,1082 1.777,1083 12.266,1084 15.414,1085 5.115,1086 24.268,1087 11.641,1088 2.75,1089 8.994,1090 21.658,1091 4.53,1092 13.303,1093 16.791,1094 5.504,1095 26.587,1096 12.594,1097 2.631,1098 8.458,1099 23.492,1100 3.774,1101 14.448,1102 18.318,1103 6.092,1104 28.977,1105 13.673,1106 2.392,1107 7.633,1108 25.334,1109 3.478,1110 15.535,1111 19.758,1112 6.531,1113 31.336,1114 14.679,1115 2.29,1116 7.161,1117 27.183,1118 3.184,1119 16.671,1120 21.269,1121 7.084,1122 33.725,1123 15.743,1124 1.952,1125 6.922,1126 29.039,1127 3.088,1128 17.785,1129 22.742,1130 7.551,1131 36.104,1132 16.777,1133 16374,1134 26661,1135 26.641,1136 38.682,1137 57.787,1138 58.524,1139 57.469,1140 57.24,1141 57.319,1142 74.564,1143 7.126,1144 165.647,1145 54.019,1146 5.605,1147 5.562,1148 6.542,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 7.669,1156 1.521,1157 1.54,1158 1.512,1159 1.506,1160 1.508,1161 1.962,1162 0.188,1163 4.359,1164 1.422,1165 4.097,1166 4.125,1167 4.319,1168 4.053,1169 7.431,1170 4.018,1171 3.908,1172 3.948,1173 3.891,1174 3.831,1175 5.056,1176 3.817,1177 3.883,1178 3.922,1179 3.805,1180 3.746,1181 4.907,1182 3.753,1183 3.831,1184 3.861,1185 3.796,1186 3.728,1187 4.703,1188 3.728,1189 3.429,1190 3.472,1191 3.444,1192 3.209,1193 4.661,1194 3.232,1195 3.294,1196 3.363,1197 3.284,1198 3.081,1199 4.302,1200 3.107,1201 3.121,1202 3.186,1203 3.071,1204 2.951,1205 4.048,1206 2.944,1207 3.093,1208 3.176,1209 2.89,1210 2.935,1211 3.964,1212 2.926,1213 0.121,1214 0.094,1215 0.177,1216 0.109,1217 0.084,1218 4.605,1219 0.119,1220 3.562,1221 0.044,1222 6.74,1223 0.291,1224 4.138,1225 0.078,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.946,1232 1.918,1233 2.023,1234 2.065,1235 1.255,1236 2.052,1237 1.823,1238 1.782,1239 1.934,1240 1.982,1241 1.219,1242 1.969,1243 1.772,1244 1.739,1245 1.886,1246 1.924,1247 1.106,1248 1.921,1249 1.604,1250 1.543,1251 1.86,1252 1.766,1253 0.945,1254 1.798,1255 1.58,1256 1.537,1257 1.709,1258 1.76,1259 0.863,1260 1.751,1261 1.378,1262 1.372,1263 1.414,1264 1.556,1265 0.621,1266 1.517,1267 1.256,1268 1.213,1269 1.352,1270 1.424,1271 0.496,1272 1.479,1273 0.943,1274 0.904,1275 1.215,1276 1.117,1277 0.354,1278 1.123,1279 4.344,1281 5.68,1282 3.045,1283 7.203,1284 5.352,1285 8.811,1286 7.391,1287 10.468,1295 3.981,1296 5.593,1297 6.015,1299 0.584,1300 2.356,1305 36.959,1306 92.318,1307 213.13,1308 261.568,1309 281.22,1310 285.975,1311 285.975,1312 44.299,1313 8.603,1314 92.27,1315 120.51,1316 34,1317 12.851,1318 4.585,1319 3.7,1320 43.447,1321 156,1322 171,1323 0.133,1324 224.314,1325 379.05,1326 539.086,1327 76839,1329 22.2,1330 0.673,1331 0.563,1332 22.554,1333 18.587,1334 16.209,1335 0.427,1336 0.311,1337 10.874,1338 15.134,1339 10.634,1340 8.708,1341 16.663,1342 11.832,1343 14.888,1344 0.276,1345 0.17,1346 15.445,1347 9.183,1348 12.73,1349 0.174,1350 0.094,1351 13.419,1352 6.849,1353 11.319,1354 0.112,1355 0.052,1356 12.104,1357 5.26,1358 9.053,1359 0.071,1360 0.027,1361 9.637,1362 3.489,1363 0.213,1364 105.895,1365 0.194,1366 31.034,1367 0.352,1368 184,1369 517.578,1370 224.999,1371 521.21,1372 726.59,1373 492,1374 219,1375 533.561,1376 258.986,1377 551.093,1378 813.49,1379 521,1380 6.924}
{0 CHEMBL595287,1 1.778,2 12.533,3 3.386,4 11.464,5 111.884,6 8.222,7 0.471,8 4.084,9 4.197,10 3.776,11 3.636,12 5.156,13 3.616,14 4.663,15 4.825,16 4.163,17 4.052,18 5.759,19 4.009,20 4.917,21 5.132,22 4.165,23 4.125,24 5.934,25 4.059,26 4.847,27 5.082,28 4.079,29 4.076,30 5.864,31 3.996,32 4.769,33 4.971,34 4.12,35 4.088,36 5.97,37 4.007,38 4.732,39 4.904,40 4.131,41 4.153,42 5.757,43 4.048,44 4.787,45 4.991,46 3.975,47 4.106,48 5.76,49 3.976,50 4.736,51 4.984,52 3.686,53 3.876,54 5.763,55 3.731,56 0.086,57 0.895,58 9.878,59 4.832,60 10.174,61 5.714,62 0.449,63 1.475,64 21.936,65 8.646,66 39.728,67 10.181,68 0.721,69 1.719,70 33.087,71 10.127,72 61.545,73 13.208,74 0.495,75 1.6,76 29.279,77 9.766,78 51.506,79 12.905,80 0.666,81 1.527,82 30.147,83 9.968,84 83.553,85 12.095,86 0.377,87 1.541,88 25.926,89 10.429,90 35.474,91 12.139,92 0.32,93 1.54,94 30.951,95 11.79,96 31.276,97 14.399,98 0.518,99 1.367,100 28.619,101 10.421,102 58.448,103 13.458,104 10,105 48,106 0.295,107 0.649,108 0.79,109 0.832,110 0.832,111 0.832,112 3.441,113 0.966,114 -4.25,115 -4.19,116 -3.96,119 40.4,121 2,125 4,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,159 1,172 5,174 2,175 5,178 2,179 1,180 2,183 5,186 1,187 9,192 2,195 2,198 1,199 9,204 3,207 1,211 1,212 6,217 2,220 3,224 4,227 2,229 1,232 6,236 1,237 4,245 6,249 2,250 2,253 3,255 1,258 4,263 2,268 1,271 4,275 1556,276 20.781,277 20.781,278 20.781,279 20.781,280 20.781,281 18.861,282 21.896,283 12.381,284 21.461,285 16.829,286 16.829,287 16.829,288 16.829,289 16.829,290 13.821,291 31.083,292 5.929,293 17.984,294 3.922,295 1.792,296 0.945,297 0.692,298 0.692,299 0.692,300 4.153,304 1,305 1,306 844,307 3.391,310 137.852,311 246.392,312 89.504,314 124.663,318 2.062,319 31.2,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 66,331 376,332 4.605,333 3.546,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.154,342 3.377,343 6.115,344 3.809,345 2.861,346 3.773,347 0.86,348 8.994,349 2.724,350 3.908,351 3.09,352 5.907,353 3.694,354 2.74,355 3.2,356 0.8,357 8.458,358 2.586,359 3.824,360 2.777,361 5.498,362 3.478,363 2.518,364 3.09,365 0.247,366 7.343,367 2.407,368 3.528,369 2.523,370 5.471,371 3.215,372 2.29,373 2.717,375 7.159,376 2.115,377 3.466,378 2.395,379 4.879,380 3.065,381 2.09,382 2.682,384 5.638,385 2.026,386 2.963,387 2.168,388 4.827,389 2.839,390 1.879,391 2.167,393 5.52,394 1.794,395 2.879,396 2.093,397 4.578,398 2.431,399 1.514,400 1.879,402 4.427,403 1.385,404 2.697,405 1.582,406 4.398,407 2.367,408 1.444,409 1.733,411 4.201,412 1.32,413 2.542,414 1.535,415 3.575,416 2.275,417 1.345,418 1.561,420 2.515,421 1.229,422 2.5,423 1.22,424 3.414,425 2,426 1.049,427 1.5,428 2.395,429 1,430 2.439,431 1.063,432 3.414,433 1.932,434 1,435 1.419,436 2.275,437 0.904,438 1.994,439 1,440 3.364,441 1.651,442 0.72,443 0.824,445 1.776,446 0.662,447 1.688,448 0.964,449 3.267,450 1.42,451 0.541,452 0.656,454 1.482,455 0.468,456 1.354,457 0.649,458 2.775,459 1.12,460 0.261,461 0.275,463 0.452,464 0.219,465 14.286,466 0.476,467 0.653,468 0.022,469 37.25,470 1.242,471 16.5,472 0.55,473 20.75,474 0.692,475 26.446,476 0.882,477 32.514,478 0.625,479 27.118,480 0.904,481 7.004,482 0.233,483 7.687,484 0.256,485 0.043,487 0.343,488 1,493 0.723,494 1.209,495 0.697,496 0.99,497 0.548,498 0.91,499 0.92,500 0.994,501 0.915,502 0.958,503 0.714,504 0.952,505 1.064,506 0.964,507 0.931,508 0.901,509 0.819,510 0.936,511 0.84,512 0.871,513 0.808,514 0.785,515 0.767,516 0.868,517 0.794,518 0.773,519 1.105,520 0.93,521 0.787,522 0.866,523 0.773,524 0.906,525 1.177,526 1.169,527 0.74,528 1.163,529 0.574,530 1.086,531 1.259,532 1.391,533 0.445,534 1.257,535 0.716,536 0.943,537 0.983,538 1.093,539 0.713,540 1.168,541 6,542 0.175,543 2.667,544 1.535,545 1.323,546 0.948,547 0.473,548 0.345,549 0.269,550 0.148,551 12790,552 37434,553 2.186,554 42.3,556 15,557 1,559 2,561 4,564 1.727,565 2.093,566 3.547,567 0.276,568 1,569 1,573 92.467,574 1.778,575 3.909,576 4.756,577 5.008,578 5.008,579 5.008,580 3.099,581 4.507,582 4.87,583 3.751,584 1631.57,585 8.496,586 22666.8,588 1,590 1,591 296.423,592 1.231,593 4.859,594 0.176,595 0.009,596 0.056,597 0.033,598 0.031,599 0.021,600 0.011,601 0.009,602 0.01,603 0.006,604 0.362,605 0.17,606 0.88,607 1.242,608 154.698,609 -0.061,610 -0.148,611 0.063,612 -0.009,613 -0.033,614 0.02,615 0.002,616 0.058,617 -0.028,618 0.016,619 0.007,620 -0.025,621 -0.089,622 -0.048,623 -0.008,624 0.022,625 -0.052,626 0.012,627 -0.085,628 0.022,629 0.07,630 0.106,631 -0.026,632 0.093,633 0.06,634 0.174,635 -0.033,636 0.127,637 0.139,638 0.111,639 -0.085,640 0.084,641 -0.165,642 -0.073,643 -0.114,644 -0.17,645 0.033,646 -0.176,647 -0.18,648 -0.261,649 0.032,650 -0.206,651 0.11,652 -0.04,653 -0.051,654 -0.132,655 0.077,656 -0.139,657 2.097,658 4.693,659 0.767,660 32.973,661 1.014,662 1.133,663 3.021,664 9.126,665 0.68,666 3.555,667 3.892,668 4.19,669 4.511,670 4.754,671 4.927,672 5.13,673 5.288,674 5.425,675 5.572,676 7.171,677 0.651,678 427.55,679 3.555,680 5.106,681 5.969,682 6.86,683 7.742,684 8.641,685 9.534,686 10.437,687 11.336,688 12.243,689 9.6,695 1,696 2,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,731 52,733 17,734 1,735 34,737 56,738 21,739 12,740 2,741 4,744 1,746 5,747 7,751 1,752 1,755 4,758 4,761 13,762 8,766 1,771 1,775 1,778 1,779 1,781 22,782 8,783 2,784 9,785 1,790 5,794 0.6,795 2,801 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,846 1,848 30,854 6,855 2,856 1,858 2,859 1,865 1,869 1,870 3.8,873 1,874 1,877 14.333,878 9.16,879 6.528,880 3.188,881 3.182,882 1.388,883 1.024,884 5.635,885 11.384,886 3.784,887 4.366,888 4.955,889 5.58,890 6.122,891 6.543,892 7.051,893 7.511,894 7.826,895 8.241,896 1,897 46,898 11.142,900 4.87,901 7.789,902 21.427,904 18.279,905 2.289,906 68.667,909 1,910 235.422,911 123.928,912 72.717,914 36.145,915 14.96,916 31.278,917 92.65,918 271.567,919 87.677,921 55.878,922 55.03,923 69.716,924 13.539,925 34.081,926 254.929,928 235.422,929 165.367,930 51.105,931 31.278,933 205.626,934 72.229,935 11,937 58.022,938 71.446,939 33.571,940 31.278,941 250.382,942 108.862,943 123.928,946 235.422,947 68.898,948 58.155,949 36.022,950 84.676,951 235.422,952 123.822,953 123.928,955 0.578,956 0.334,957 0.187,958 0.101,959 25,960 10,961 0.071,962 4,963 3,964 1.217,965 4.249,966 277.608,967 0.261,968 22,969 137.207,970 1,974 19.799,975 8.539,976 4.206,977 2.037,978 123.822,979 11.413,980 9.669,983 1.661,984 3.119,986 36.022,987 483.172,988 43,993 11.693,997 -0.43,999 52.705,1000 58.907,1001 0.312,1002 0.686,1003 0.834,1004 0.879,1005 0.879,1006 0.879,1007 5.037,1008 1.514,1009 5.948,1010 5.52,1011 4.575,1012 5.053,1013 2.109,1014 6.763,1015 4.449,1016 6.221,1017 1.444,1018 7.499,1019 4.427,1020 4.111,1021 4.832,1022 1.305,1023 7.618,1024 3.942,1025 7.52,1026 1.345,1027 9.147,1028 4.201,1029 6.168,1030 7.227,1031 2.545,1032 10.741,1033 5.926,1034 8.853,1035 1.049,1036 10.852,1037 2.515,1038 6.538,1039 7.89,1040 2.354,1041 12.442,1042 6.232,1043 10.221,1044 1,1045 12.596,1046 2.395,1047 8.034,1048 9.752,1049 3.285,1050 15.069,1051 7.669,1052 11.614,1053 0.72,1054 14.366,1055 2.275,1056 8.798,1057 10.841,1058 3.414,1059 17.143,1060 8.357,1061 13.027,1062 0.541,1063 16.156,1064 1.776,1065 10.068,1066 12.489,1067 4.168,1068 19.603,1069 9.568,1070 3.209,1071 0.261,1072 17.962,1073 1.482,1074 11.024,1075 13.79,1076 4.466,1077 21.848,1078 10.443,1079 2.861,1080 11.052,1081 19.781,1082 0.452,1083 12.203,1084 15.348,1085 5.115,1086 24.254,1087 11.56,1088 2.74,1089 8.994,1090 21.612,1091 4.53,1092 13.252,1093 16.755,1094 5.504,1095 26.578,1096 12.528,1097 2.518,1098 8.458,1099 23.451,1100 3.773,1101 14.399,1102 18.277,1103 6.092,1104 28.97,1105 13.608,1106 2.29,1107 7.343,1108 25.298,1109 3.2,1110 15.495,1111 19.734,1112 6.531,1113 31.331,1114 14.623,1115 2.09,1116 7.159,1117 27.153,1118 3.09,1119 16.634,1120 21.244,1121 7.084,1122 33.722,1123 15.691,1124 1.879,1125 5.638,1126 29.013,1127 2.717,1128 17.754,1129 22.726,1130 7.551,1131 36.102,1132 16.732,1133 11914,1134 20480,1135 23.463,1136 35.375,1137 51.146,1138 53.002,1139 51.836,1140 50.809,1141 50.925,1142 64.012,1143 7.126,1144 147.377,1145 47.639,1146 5.605,1147 5.546,1148 6.604,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 10.794,1156 1.504,1157 1.559,1158 1.525,1159 1.494,1160 1.498,1161 1.883,1162 0.21,1163 4.335,1164 1.401,1165 4.096,1166 4.123,1167 4.318,1168 4.052,1169 8.195,1170 4.017,1171 3.902,1172 3.94,1173 3.879,1174 3.827,1175 7.431,1176 3.812,1177 3.858,1178 3.886,1179 3.805,1180 3.736,1181 5.055,1182 3.735,1183 3.631,1184 3.698,1185 3.553,1186 3.378,1187 4.704,1188 3.403,1189 3.339,1190 3.395,1191 3.372,1192 3.176,1193 4.661,1194 3.177,1195 3.264,1196 3.333,1197 3.168,1198 3.024,1199 4.304,1200 3.044,1201 3.096,1202 3.176,1203 3.057,1204 2.951,1205 4.097,1206 2.926,1207 3.093,1208 3.157,1209 2.89,1210 2.862,1211 3.972,1212 2.887,1213 0.135,1214 0.104,1215 0.198,1216 0.122,1217 0.094,1218 4.605,1219 0.133,1220 3.546,1221 0.049,1222 6.74,1223 0.325,1224 4.138,1225 0.088,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.946,1232 1.918,1233 2.023,1234 2.063,1235 1.255,1236 2.051,1237 1.776,1238 1.743,1239 1.887,1240 1.945,1241 1.219,1242 1.933,1243 1.604,1244 1.543,1245 1.86,1246 1.828,1247 1.107,1248 1.814,1249 1.584,1250 1.539,1251 1.781,1252 1.76,1253 0.995,1254 1.798,1255 1.533,1256 1.462,1257 1.707,1258 1.747,1259 0.863,1260 1.74,1261 1.377,1262 1.372,1263 1.397,1264 1.468,1265 0.621,1266 1.491,1267 1.158,1268 1.111,1269 1.297,1270 1.417,1271 0.496,1272 1.418,1273 0.886,1274 0.831,1275 1.215,1276 1.078,1277 0.33,1278 1.114,1279 4.234,1281 5.565,1282 3.045,1283 7.083,1284 5.352,1285 8.692,1286 7.391,1287 10.356,1291 12.168,1295 3.333,1296 5.119,1297 5.985,1299 0.567,1300 2.334,1305 33.848,1306 92.467,1307 203.246,1308 247.303,1309 260.423,1310 260.423,1311 260.423,1312 46.817,1313 8.202,1314 79.38,1315 107.62,1316 28,1317 12.762,1318 4.17,1319 3.322,1320 41.716,1321 126,1322 168,1323 0.159,1324 206.117,1325 353.4,1326 494.684,1327 43722,1328 1.9,1329 20.501,1330 0.683,1331 0.571,1332 20.148,1333 17.122,1334 14.691,1335 0.432,1336 0.322,1337 9.963,1338 13.541,1339 9.764,1340 7.946,1341 14.645,1342 10.943,1343 13.291,1344 0.277,1345 0.176,1346 13.494,1347 8.432,1348 11.32,1349 0.174,1350 0.097,1351 11.74,1352 6.309,1353 9.902,1354 0.11,1355 0.054,1356 10.626,1357 4.866,1358 7.994,1359 0.07,1360 0.028,1361 8.264,1362 3.24,1363 0.252,1364 97.396,1365 0.206,1366 28.454,1367 0.431,1368 164,1369 532.044,1370 205.945,1371 499.654,1372 679.06,1373 472,1374 195,1375 473.552,1376 234.97,1377 485.118,1378 720.67,1379 459,1380 6.084}
{0 CHEMBL595288,1 1.667,2 8.667,3 3.602,4 12.972,5 92.322,6 8.279,7 0.571,8 3.862,9 3.957,10 3.582,11 3.475,12 4.915,13 3.441,14 4.43,15 4.57,16 3.994,17 3.904,18 5.459,19 3.854,20 4.699,21 4.895,22 3.984,23 3.961,24 5.665,25 3.884,26 4.62,27 4.862,28 3.831,29 3.88,30 5.523,31 3.773,32 4.473,33 4.68,34 3.857,35 3.878,36 5.393,37 3.772,38 4.454,39 4.603,40 3.954,41 3.945,42 5.498,43 3.834,44 4.522,45 4.712,46 3.724,47 3.884,48 5.452,49 3.739,50 4.425,51 4.663,52 3.271,53 3.611,54 5.292,55 3.428,56 0.038,57 0.612,58 7.809,59 3.948,60 7.498,61 4.541,62 0.177,63 1.082,64 16.67,65 7.066,66 16.92,67 8.111,68 0.41,69 1.352,70 26.086,71 8.859,72 34.534,73 10.869,74 0.303,75 1.291,76 23.702,77 8.314,78 30.92,79 10.766,80 0.25,81 1.14,82 23.258,83 8.192,84 19.337,85 9.756,86 0.251,87 1.118,88 19.518,89 7.861,90 26.126,91 8.93,92 0.203,93 1.132,94 24.828,95 9.451,96 20.604,97 10.995,98 0.226,99 0.94,100 21.06,101 8.225,102 25.04,103 10.451,104 2,105 41,106 0.291,107 0.644,108 0.767,109 0.799,110 0.799,111 0.799,112 3.23,113 0.974,114 -4.25,115 -4.19,116 -3.96,119 43.9,121 2,125 2,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,172 5,174 2,175 5,180 2,183 5,186 1,187 9,192 2,195 2,198 1,199 7,204 1,207 1,211 1,212 4,220 3,224 3,227 2,232 6,236 1,237 4,245 6,250 2,253 1,255 1,258 4,263 2,268 1,271 4,275 766,276 16.635,277 16.635,278 16.635,279 16.635,280 16.635,281 14.817,282 14.768,283 9.633,284 17.185,285 13.88,286 13.88,287 13.88,288 13.88,289 13.88,290 11.13,291 20.271,292 4.654,293 14.85,294 3.69,295 1.667,296 0.966,297 0.78,298 0.78,299 0.78,300 3.946,303 1,304 1,305 1,306 478,307 2.121,310 95.863,311 172.098,312 63.969,314 84.81,318 1.278,319 20.045,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 208,332 4.605,333 3.377,334 6.74,335 4.138,336 3.209,337 4.53,338 0.86,339 11.052,340 2.979,341 4.134,342 3.091,343 6.113,344 3.8,345 2.857,346 3.758,347 0.8,348 8.984,349 2.706,350 3.907,351 2.801,352 5.906,353 3.669,354 2.714,355 3.122,357 8.454,358 2.569,359 3.656,360 2.539,361 5.497,362 3.219,363 2.291,364 3.06,366 7.161,367 2.14,368 3.522,369 2.45,370 5.045,371 3.212,372 2.27,373 2.692,375 6.092,376 2.114,377 2.965,378 2.093,379 4.879,380 2.839,381 1.879,382 2.18,384 5.638,385 1.794,386 2.879,387 1.582,388 4.577,389 2.403,390 1.491,391 1.879,393 4.418,394 1.361,395 2.697,396 1.536,397 4.379,398 2.366,399 1.441,400 1.732,402 4.155,403 1.316,404 2.539,405 1.06,406 3.564,407 2,408 1.05,409 1.558,411 2.409,412 1,413 2.5,414 1,415 3.414,416 1.931,417 1,418 1.5,420 2.275,421 0.904,422 1.993,423 0.964,424 3.413,425 1.651,426 0.72,427 0.823,428 1.775,429 0.662,430 1.688,431 0.624,432 3.267,433 1.414,434 0.537,435 0.655,436 1.476,437 0.464,438 1.166,439 0.104,440 2.774,441 0.759,442 -0.171,443 -0.217,445 -0.385,446 -0.157,447 0.902,448 -0.075,449 2.653,450 0.602,451 -0.347,452 -0.347,454 -1.042,455 -0.327,456 0.653,457 -0.288,458 2.583,459 0.48,460 -0.431,461 -0.517,463 -1.312,464 -0.389,465 11.7,466 0.488,467 0.585,468 0.024,469 31.5,470 1.313,471 15,472 0.625,473 16.5,474 0.688,475 19.765,476 0.824,477 24.9,478 0.607,479 19.792,480 0.825,481 5.657,482 0.236,483 6.103,484 0.254,485 0.028,487 0.376,493 0.9,494 1.19,495 0.699,496 0.897,497 0.904,498 0.843,499 1.037,500 1.069,501 0.881,502 0.955,503 0.641,504 0.913,505 1.269,506 1.201,507 0.928,508 0.963,509 0.958,510 0.978,511 0.869,512 0.925,513 0.795,514 0.733,515 0.815,516 0.842,517 0.714,518 0.915,519 1.127,520 0.958,521 0.568,522 0.826,523 0.746,524 1.057,525 1.234,526 1.204,527 0.659,528 1.163,529 0.735,530 1.137,531 1.426,532 1.408,533 0.661,534 1.256,535 0.763,536 1,537 1.075,538 1.172,539 0.816,540 1.259,541 5,542 0.063,543 2.444,544 1.16,545 1.043,546 0.83,547 0.372,548 0.239,549 0.223,550 0.077,551 6556,552 16739,553 2.262,554 41.5,556 11,557 1,559 1,561 4,564 1.674,565 2.182,566 3.095,567 -0.301,569 1,571 1,573 68.359,574 1.667,575 3.691,576 4.391,577 4.577,578 4.577,579 4.577,580 2.507,581 4.054,582 4.557,583 3.221,584 888.999,585 7.891,586 10029.9,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.179,595 0.013,596 0.06,597 0.031,598 0.032,599 0.024,600 0.011,601 0.008,602 0.013,603 0.006,604 0.375,605 0.33,606 0.88,607 0.382,608 111.448,609 -0.068,610 -0.131,611 0.069,612 0.023,613 -0.087,614 0.037,615 -0.042,616 -0.004,617 -0.005,618 -0.02,619 0.068,620 -0.02,621 -0.105,622 -0.21,623 -0.014,624 -0.051,625 -0.03,626 -0.048,627 -0.073,628 0.11,629 0.091,630 0.147,631 -0.032,632 0.114,633 -0.007,634 0.163,636 0.115,637 0.006,638 0.16,639 0.028,640 0.036,641 -0.169,642 -0.136,643 0.019,644 -0.226,645 0.008,646 -0.14,647 -0.271,648 -0.282,649 -0.013,650 -0.241,651 0.046,652 -0.122,653 -0.137,654 -0.202,655 0.002,656 -0.223,657 1.416,658 3.505,659 0.958,660 16.826,661 1.005,662 1.116,663 3.025,664 9.15,665 0.705,666 3.367,667 3.738,668 4.06,669 4.394,670 4.654,671 4.828,672 5.004,673 5.159,674 5.293,675 5.389,676 5.227,677 0.668,678 339.45,679 3.367,680 4.934,681 5.814,682 6.718,683 7.613,684 8.522,685 9.424,686 10.335,687 11.242,688 12.154,689 7.3,695 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,728 1,731 41,733 16,734 1,735 28,737 45,738 18,739 12,740 2,741 4,746 5,747 7,755 4,758 4,761 12,762 6,777 1,778 1,781 17,782 5,783 1,784 6,785 1,790 3,794 0.6,795 2,801 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,848 24,853 1,854 4,856 1,858 2,859 1,865 1,870 4.9,872 1,874 1,877 11,878 7.3,879 5.028,880 2.563,881 3.02,882 1.39,883 1.027,884 3.456,885 10.769,886 3.611,887 4.245,888 4.874,889 5.508,890 6.061,891 6.475,892 6.96,893 7.416,894 7.728,895 8.089,896 0.833,897 38,898 8.9,900 3.966,901 7.583,902 17.431,904 15.361,905 2.083,906 50,909 1,910 188.338,911 106.32,912 36.695,914 53.683,916 31.278,917 75.042,918 242.021,919 36.695,921 9.28,922 55.03,923 87.254,924 10.782,925 14.845,926 207.844,928 188.338,929 111.737,930 53.683,931 31.278,933 143.581,934 89.768,935 11,937 11.425,938 64.414,939 33.571,940 31.278,941 188.338,942 90.379,943 106.32,946 188.338,947 51.29,948 58.155,950 87.254,951 188.338,952 90.379,953 106.32,955 0.593,956 0.347,957 0.194,958 0.107,959 24,960 9,961 0.044,962 2,963 3,964 1.217,965 3.675,966 216.152,967 0.261,968 22,969 100.039,970 1,974 14.614,975 5.675,976 2.597,977 2.116,978 90.379,979 11.171,980 9.585,983 1.689,984 2.881,986 42.683,987 385.036,988 36,999 41.222,1000 45.74,1001 0.311,1002 0.689,1003 0.82,1004 0.854,1005 0.854,1006 0.854,1007 4.875,1008 1.441,1009 5.808,1010 4.418,1011 4.419,1012 4.931,1013 1.235,1014 6.645,1015 4.288,1016 6.078,1017 1.05,1018 7.375,1019 4.155,1020 4.007,1021 4.732,1022 0.325,1023 7.535,1024 3.809,1025 7.388,1026 1,1027 9.036,1028 2.409,1029 6.038,1030 7.15,1031 0.938,1032 10.661,1033 5.784,1034 8.733,1035 0.72,1036 10.753,1037 2.275,1038 6.447,1039 7.828,1040 0.268,1041 12.387,1042 6.111,1043 10.111,1044 0.537,1045 12.506,1046 1.775,1047 7.931,1048 9.705,1049 0.732,1050 15.021,1051 7.549,1052 11.514,1053 -0.171,1054 14.286,1055 1.476,1056 8.721,1057 10.804,1058 0.188,1059 17.11,1060 8.25,1061 12.935,1062 -0.347,1063 16.085,1064 -0.385,1065 9.988,1066 12.461,1067 0.57,1068 19.576,1069 9.466,1070 3.209,1071 -0.431,1072 17.9,1073 -1.042,1074 10.961,1075 13.768,1076 0.125,1077 21.829,1078 10.352,1079 2.857,1080 11.052,1081 19.726,1082 -1.312,1083 12.141,1084 15.331,1085 0.438,1086 24.24,1087 11.474,1088 2.714,1089 8.984,1090 21.563,1091 4.53,1092 13.202,1093 16.74,1094 0.082,1095 26.568,1096 12.45,1097 2.291,1098 8.454,1099 23.409,1100 3.758,1101 14.352,1102 18.266,1103 0.334,1104 28.962,1105 13.535,1106 2.27,1107 7.161,1108 25.262,1109 3.122,1110 15.455,1111 19.725,1112 0.054,1113 31.326,1114 14.557,1115 1.879,1116 6.092,1117 27.121,1118 3.06,1119 16.598,1120 21.237,1121 0.252,1122 33.718,1123 15.629,1124 1.491,1125 5.638,1126 28.986,1127 2.692,1128 17.723,1129 22.72,1130 0.035,1131 36.099,1132 16.675,1133 5948,1134 9626,1135 19.592,1136 28.904,1137 43.314,1138 42.994,1139 43.304,1140 42.916,1141 42.916,1142 54.976,1143 3.32,1144 127.776,1145 40.016,1146 5.605,1147 5.377,1148 6.225,1149 5.248,1150 5.209,1151 7.53,1152 1.72,1153 18.308,1154 4.979,1155 6.394,1156 1.547,1157 1.536,1158 1.547,1159 1.533,1160 1.533,1161 1.963,1162 0.119,1163 4.563,1164 1.429,1165 4.093,1166 4.119,1167 4.318,1168 4.051,1169 6.471,1170 4.015,1171 3.895,1172 3.931,1173 3.857,1174 3.812,1175 5.048,1176 3.796,1177 3.84,1178 3.857,1179 3.803,1180 3.735,1181 4.664,1182 3.734,1183 3.314,1184 3.375,1185 3.38,1186 3.162,1187 4.583,1188 3.163,1189 3.16,1190 3.217,1191 3.085,1192 2.976,1193 4.265,1194 2.982,1195 3.093,1196 3.176,1197 2.89,1198 2.951,1199 3.958,1200 2.926,1201 2.854,1202 2.925,1203 2.78,1204 2.735,1205 3.674,1206 2.715,1207 2.816,1208 2.86,1209 2.687,1210 2.638,1211 3.522,1212 2.637,1213 0.164,1214 0.121,1215 0.241,1216 0.148,1217 0.115,1218 4.605,1219 0.162,1220 3.377,1221 0.031,1222 6.74,1223 0.395,1224 4.138,1225 0.106,1226 3.209,1227 4.53,1228 0.86,1229 11.052,1230 2.979,1231 1.936,1232 1.911,1233 2.011,1234 2.055,1235 1.255,1236 2.041,1237 1.765,1238 1.736,1239 1.883,1240 1.922,1241 1.219,1242 1.918,1243 1.604,1244 1.543,1245 1.86,1246 1.76,1247 1.081,1248 1.798,1249 1.576,1250 1.535,1251 1.705,1252 1.753,1253 0.855,1254 1.741,1255 1.377,1256 1.372,1257 1.385,1258 1.429,1259 0.621,1260 1.488,1261 0.965,1262 0.952,1263 1.215,1264 1.147,1265 0.496,1266 1.126,1267 0.886,1268 0.821,1269 1.181,1270 1.062,1271 0.289,1272 1.114,1273 0.779,1274 0.668,1275 1.082,1276 1.051,1277 0.218,1278 1.107,1279 4.043,1281 5.398,1282 3.045,1283 6.942,1284 5.352,1285 8.574,1286 7.391,1287 10.255,1294 9.505,1295 4.084,1297 5.961,1299 0.65,1300 2.357,1305 27.369,1306 68.359,1307 151.321,1308 180.05,1309 187.66,1310 187.66,1311 187.66,1312 29.62,1313 7.749,1314 58.48,1315 86.72,1316 28,1317 12.669,1318 4.087,1319 3.17,1320 30.148,1321 74,1322 85,1323 0.2,1324 165.48,1325 276.07,1326 395.532,1327 23643,1329 16.096,1330 0.671,1331 0.578,1332 16.449,1333 13.869,1334 11.759,1335 0.42,1336 0.325,1337 8.183,1338 10.885,1339 7.979,1340 6.488,1341 12.213,1342 9.091,1343 11.047,1344 0.269,1345 0.179,1346 11.604,1347 7.331,1348 9.703,1349 0.17,1350 0.099,1351 10.392,1352 5.654,1353 8.524,1354 0.107,1355 0.055,1356 9.308,1357 4.437,1358 6.982,1359 0.067,1360 0.029,1361 7.566,1362 2.988,1363 0.302,1364 77.881,1365 0.226,1366 22.894,1367 0.582,1368 138,1369 369.681,1370 173.227,1371 376.452,1372 527.9,1373 356,1374 167,1375 386.336,1376 201.796,1377 401.916,1378 599.25,1379 381,1380 5.203}
{0 CHEMBL595507,1 1.564,2 15.902,3 2.506,4 6.282,5 156.012,6 7.23,7 0.468,8 4.466,9 4.591,10 4.026,11 3.937,12 5.471,13 3.935,14 5.065,15 5.256,16 4.391,17 4.36,18 6.016,19 4.337,20 5.324,21 5.55,22 4.449,23 4.539,24 6.214,25 4.467,26 5.386,27 5.644,28 4.41,29 4.564,30 6.231,31 4.466,32 5.366,33 5.616,34 4.436,35 4.559,36 6.274,37 4.47,38 5.328,39 5.566,40 4.403,41 4.531,42 6.22,43 4.451,44 5.281,45 5.507,46 4.351,47 4.504,48 6.153,49 4.411,50 5.335,51 5.58,52 4.305,53 4.523,54 6.169,55 4.412,56 0.035,57 1.222,58 17.023,59 6.563,60 10.157,61 9.201,62 0.518,63 2.005,64 34.63,65 10.698,66 34.423,67 15.48,68 0.678,69 2.444,70 46.358,71 14.538,72 50.669,73 21.782,74 0.593,75 2.559,76 49.973,77 15.749,78 49.328,79 24.311,80 0.647,81 2.508,82 48.831,83 15.231,84 67.982,85 23.7,86 0.635,87 2.46,88 46.514,89 13.954,90 52.411,91 21.454,92 0.581,93 2.317,94 43.831,95 14.43,96 45.833,97 21.657,98 0.564,99 2.351,100 47.158,101 15.91,102 49.244,103 23.547,104 2,105 66,106 0.239,107 0.545,108 0.725,109 0.782,110 0.79,111 0.813,112 3.741,113 0.931,114 -4.79,115 -4.7,116 -4.41,119 39,121 2,125 11,127 1,142 6,143 2,144 1,145 1,146 1,147 2,149 1,160 1,161 1,172 6,174 5,175 10,180 2,183 6,186 5,187 7,192 2,195 2,198 5,199 10,204 1,207 2,211 2,212 8,215 2,220 2,223 4,224 12,232 4,236 2,237 6,240 2,245 4,249 3,250 9,253 1,258 2,262 1,263 7,268 2,271 2,275 3723,276 28.67,277 28.67,278 28.67,279 28.67,280 28.67,281 26.185,282 39.618,283 17.063,284 29.666,285 23.289,286 23.289,287 23.289,288 23.289,289 23.289,290 19.447,291 54.115,292 8.188,293 24.908,294 4.702,295 2.694,296 1.513,297 1.143,298 1.091,299 0.935,300 4.471,306 1480,307 2.739,310 97.746,311 797.707,314 178.327,318 2.548,319 34.599,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 89,331 652,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.079,341 4.191,342 3.139,343 6.33,344 3.83,345 2.886,346 3.81,347 0.86,348 9.599,349 2.749,350 4.147,351 3.065,352 6.143,353 3.8,354 2.858,355 3.695,356 0.86,357 9.058,358 2.697,359 3.988,360 2.934,361 6.124,362 3.718,363 2.766,364 3.354,365 0.8,366 9.006,367 2.614,368 3.751,369 2.871,370 5.634,371 3.54,372 2.605,373 2.996,374 0.8,375 7.716,376 2.434,377 3.603,378 2.55,379 5.511,380 3.293,381 2.339,382 2.973,383 0.172,384 7.113,385 2.219,386 3.485,387 2.427,388 5.05,389 3.162,390 2.216,391 2.577,393 6.094,394 2.089,395 3.227,396 2.348,397 5.044,398 3.011,399 2.079,400 2.29,402 6.029,403 1.93,404 2.967,405 2.256,406 4.746,407 2.714,408 1.797,409 2.138,411 4.83,412 1.643,413 2.939,414 2.108,415 4.431,416 2.619,417 1.706,418 2.019,420 4.45,421 1.552,422 2.876,423 1.582,424 4.326,425 2.416,426 1.471,427 1.939,428 4.039,429 1.386,430 2.652,431 1.532,432 4.079,433 2.162,434 1.267,435 1.718,436 3.178,437 1.144,438 2.5,439 1.516,440 3.751,441 2.135,442 1.186,443 1.5,445 2.894,446 1.107,447 2.492,448 1.256,449 3.504,450 2.034,451 1.147,452 1.489,454 2.696,455 1.01,456 2.385,457 1.256,458 3.476,459 1.984,460 1.038,461 1.373,463 2.527,464 0.983,465 19.2,466 0.468,467 0.807,468 0.02,469 51.25,470 1.25,471 21.5,472 0.524,473 29.75,474 0.726,475 40.668,476 0.992,477 45,478 0.584,479 41.276,480 1.007,481 9.843,482 0.24,483 10.366,484 0.253,485 0.017,487 0.318,493 0.929,494 1.652,495 0.79,496 1.267,497 0.839,498 1.046,499 1.304,500 1.079,501 0.995,502 0.918,503 0.823,504 0.904,505 1.03,506 1.12,507 1.016,508 0.998,509 0.857,510 1.004,511 0.717,512 1.012,513 0.936,514 0.971,515 0.784,516 0.972,517 0.712,518 1.077,519 0.912,520 0.965,521 0.803,522 0.956,523 0.981,524 1.017,525 1.095,526 0.996,527 0.898,528 1.031,529 0.832,530 1.157,531 1.085,532 1.151,533 0.82,534 1.149,535 0.818,536 0.964,537 1.057,538 1.088,539 0.811,540 1.098,541 6.5,542 0.196,543 4.222,544 1.972,545 1.818,546 1.469,547 1.053,548 0.629,549 0.365,550 0.257,551 32782,552 77118,553 2.236,554 46.8,556 29,558 2,559 1,562 4,564 1.804,565 2.177,566 3.876,567 -0.352,573 120.464,574 1.564,575 3.573,576 4.753,577 5.124,578 5.176,579 5.332,580 3.354,581 4.919,582 5.324,583 4.126,584 3383.37,585 9.397,586 60835,591 482.543,592 1.053,593 5.323,594 0.138,595 0.005,596 0.064,597 0.029,598 0.028,599 0.022,600 0.016,601 0.01,602 0.006,603 0.005,604 0.325,605 0.17,606 0.63,607 0.261,608 235.011,609 -0.036,610 -0.396,611 0.092,612 -0.156,613 0.001,614 -0.036,615 -0.127,616 0.078,617 -0.025,618 0.068,619 0.005,620 0.039,621 -0.046,622 -0.055,623 -0.046,624 -0.009,625 0.011,626 -0.031,627 0.011,628 0.027,629 0.024,630 0.007,631 -0.012,632 0.017,633 0.062,634 -0.035,635 0.049,636 0.02,637 0.04,638 0.033,639 -0.099,640 0.078,641 -0.13,642 -0.034,643 -0.117,644 -0.071,645 0.016,646 -0.086,647 -0.136,648 -0.142,649 -0.04,650 -0.158,651 -0.015,652 0.059,653 -0.1,654 -0.08,655 0.024,656 -0.095,657 1.467,658 4.113,659 0.951,660 57.703,661 1.002,662 1.135,663 3.556,664 12.647,665 0.65,666 3.871,667 4.205,668 4.522,669 4.828,670 5.118,671 5.247,672 5.493,673 5.694,674 5.849,675 5.999,676 9.276,677 0.619,678 556.74,679 3.871,680 5.425,681 6.293,682 7.18,683 8.065,684 8.96,685 9.854,686 10.755,687 11.655,688 12.561,689 10.4,692 1,695 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 2,728 1,731 77,733 22,734 1,735 47,737 83,738 30,739 16,740 2,741 4,746 7,747 8,755 3,758 3,761 16,762 14,781 36,782 10,783 1,784 11,787 1,790 8,794 0.857,795 3,805 1,806 1,811 1,812 6,815 1,836 1,839 2,840 6,848 41,853 1,854 13,856 2,858 1,859 3,870 3.9,872 1,874 2,877 18.833,878 13.633,879 8.861,880 4.863,881 3.918,882 1.418,883 0.999,884 7.83,885 13.296,886 4.078,887 4.656,888 5.262,889 5.875,890 6.447,891 6.827,892 7.324,893 7.775,894 8.114,895 8.48,896 1,897 68,898 15.227,900 6.585,901 7.528,902 29.949,904 25.539,905 2.028,906 83.167,910 411.989,911 129.916,912 78.414,914 64.683,917 129.916,918 476.672,919 78.414,921 38.179,922 56.857,923 165.701,924 31.163,925 4.656,926 388.446,928 411.989,929 208.331,930 64.683,933 367.232,934 89.768,935 22,937 64.727,938 74.133,939 67.142,941 411.989,942 143.097,943 129.916,946 411.989,947 55.393,948 85.796,950 131.825,951 411.989,952 143.097,953 129.916,955 0.58,956 0.341,957 0.192,958 0.109,959 34,960 13,961 0.072,962 6,963 1,964 1.051,965 5.2,966 433.308,967 0.051,968 39,969 207.66,974 26.749,975 12.002,976 5.806,977 1.672,978 141.198,979 15.443,980 19.495,984 4.699,985 2.239,986 42.683,987 685.002,988 58,999 77.167,1000 87.427,1001 0.25,1002 0.57,1003 0.759,1004 0.818,1005 0.826,1006 0.851,1007 5.335,1008 2.079,1009 6.263,1010 6.094,1011 4.89,1012 5.345,1013 1.999,1014 7.079,1015 4.764,1016 6.508,1017 1.797,1018 7.816,1019 6.029,1020 4.369,1021 5.075,1022 0.766,1023 7.966,1024 4.183,1025 7.802,1026 1.706,1027 9.469,1028 4.83,1029 6.482,1030 7.511,1031 1.623,1032 11.101,1033 6.238,1034 9.133,1035 1.471,1036 11.185,1037 4.45,1038 6.825,1039 8.152,1040 0.74,1041 12.862,1042 6.519,1043 10.503,1044 1.267,1045 12.943,1046 4.039,1047 8.36,1048 10.038,1049 1.351,1050 15.501,1051 8,1052 11.899,1053 1.186,1054 14.73,1055 3.178,1056 9.113,1057 11.119,1058 0.632,1059 17.628,1060 8.687,1061 13.317,1062 1.147,1063 16.539,1064 2.894,1065 10.408,1066 12.78,1067 1.126,1068 20.109,1069 9.926,1070 3.289,1071 1.038,1072 18.364,1073 2.696,1074 11.363,1075 14.083,1076 0.524,1077 22.399,1078 10.813,1079 2.886,1080 11.617,1081 20.202,1082 2.527,1083 12.56,1084 15.653,1085 0.933,1086 24.834,1087 11.951,1088 2.858,1089 9.599,1090 22.05,1091 4.638,1092 13.616,1093 17.068,1094 0.43,1095 27.2,1096 12.939,1097 2.766,1098 9.058,1099 23.907,1100 3.81,1101 14.778,1102 18.605,1103 0.768,1104 29.628,1105 14.039,1106 2.605,1107 9.006,1108 25.772,1109 3.695,1110 15.885,1111 20.076,1112 0.353,1113 32.031,1114 15.078,1115 2.339,1116 7.716,1117 27.644,1118 3.354,1119 17.039,1120 21.602,1121 0.627,1122 34.462,1123 16.168,1124 2.216,1125 7.113,1126 29.521,1127 2.996,1128 18.174,1129 23.102,1130 0.29,1131 36.886,1132 17.234,1133 29419,1134 45315,1135 32.997,1136 50.069,1137 71.125,1138 71.473,1139 71.557,1140 71.036,1141 70.975,1142 87.602,1143 8.818,1144 203.869,1145 66.434,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.079,1155 9.138,1156 1.513,1157 1.521,1158 1.522,1159 1.511,1160 1.51,1161 1.864,1162 0.188,1163 4.338,1164 1.413,1165 4.142,1166 4.195,1167 4.117,1168 3.977,1169 6.471,1170 4.004,1171 3.948,1172 3.997,1173 3.888,1174 3.821,1175 5.138,1176 3.829,1177 3.881,1178 3.916,1179 3.822,1180 3.784,1181 4.883,1182 3.792,1183 3.794,1184 3.85,1185 3.689,1186 3.62,1187 4.66,1188 3.627,1189 3.712,1190 3.772,1191 3.598,1192 3.493,1193 4.616,1194 3.508,1195 3.651,1196 3.702,1197 3.534,1198 3.469,1199 4.593,1200 3.478,1201 3.296,1202 3.362,1203 3.232,1204 3.08,1205 4.404,1206 3.107,1207 3.134,1208 3.206,1209 3.027,1210 2.959,1211 4.27,1212 2.966,1213 0.1,1214 0.072,1215 0.147,1216 0.09,1217 0.07,1218 4.694,1219 0.099,1220 3.38,1221 0.019,1222 6.903,1223 0.247,1224 4.225,1225 0.066,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.079,1231 1.947,1232 1.914,1233 2.072,1234 2.107,1235 1.431,1236 2.095,1237 1.902,1238 1.859,1239 2.011,1240 2.056,1241 1.217,1242 2.043,1243 1.823,1244 1.776,1245 1.975,1246 1.998,1247 1.212,1248 1.995,1249 1.755,1250 1.705,1251 1.925,1252 1.944,1253 1.081,1254 1.943,1255 1.637,1256 1.582,1257 1.846,1258 1.849,1259 1.055,1260 1.849,1261 1.558,1262 1.509,1263 1.673,1264 1.762,1265 0.825,1266 1.745,1267 1.333,1268 1.257,1269 1.513,1270 1.603,1271 0.825,1272 1.576,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.825,1278 1.429,1279 4.554,1281 5.883,1282 2.398,1283 7.415,1284 4.727,1285 9.034,1286 6.862,1287 10.699,1294 10.113,1295 11.115,1297 11.055,1299 0.308,1300 7.027,1305 47.691,1306 120.464,1307 275.141,1308 366.013,1309 394.543,1310 398.543,1311 410.543,1312 59.06,1313 9.378,1314 104.9,1315 104.9,1316 41,1317 13.08,1318 4.524,1319 3.585,1320 54.473,1321 225,1322 265,1323 0.114,1324 283.856,1325 485.41,1326 684.369,1327 194015,1329 27.597,1330 0.673,1331 0.567,1332 27.597,1333 23.23,1334 20.209,1335 0.43,1336 0.31,1337 14.308,1338 19.212,1339 14.107,1340 11.486,1341 20.209,1342 14.578,1343 18.09,1344 0.274,1345 0.166,1346 18.09,1347 10.976,1348 15.903,1349 0.175,1350 0.091,1351 15.903,1352 8.319,1353 13.79,1354 0.111,1355 0.049,1356 13.79,1357 6.042,1358 11.776,1359 0.071,1360 0.026,1361 11.776,1362 4.345,1363 0.183,1364 127.854,1365 0.174,1366 37.037,1367 0.301,1368 226,1369 618.782,1370 251.346,1371 587.202,1372 820.28,1373 558,1374 270,1375 613.134,1376 298.291,1377 615.497,1378 914.5,1379 581,1380 7.398}
{0 CHEMBL595743,1 1.685,2 8.667,3 2.511,4 6.305,5 93.485,6 8.28,7 0.571,8 3.865,9 3.978,10 3.587,11 3.454,12 4.917,13 3.425,14 4.434,15 4.588,16 3.997,17 3.883,18 5.457,19 3.837,20 4.682,21 4.888,22 3.983,23 3.94,24 5.63,25 3.867,26 4.612,27 4.861,28 3.836,29 3.87,30 5.519,31 3.763,32 4.471,33 4.682,34 3.858,35 3.867,36 5.378,37 3.761,38 4.444,39 4.603,40 3.955,41 3.922,42 5.465,43 3.815,44 4.518,45 4.719,46 3.737,47 3.84,48 5.458,49 3.707,50 4.397,51 4.652,52 3.255,53 3.55,54 5.25,55 3.384,56 0.037,57 0.679,58 7.86,59 3.686,60 7.841,61 4.4,62 0.212,63 1.143,64 17.029,65 6.791,66 19.062,67 7.998,68 0.402,69 1.37,70 25.532,71 8.117,72 30.826,73 10.359,74 0.331,75 1.293,76 23.343,77 7.904,78 31.086,79 10.556,80 0.234,81 1.147,82 23.287,83 8.145,84 18.106,85 9.884,86 0.223,87 1.171,88 19.354,89 7.644,90 22.051,91 8.747,92 0.231,93 1.167,94 25.224,95 8.696,96 23.25,97 10.387,98 0.238,99 0.937,100 19.732,101 7.085,102 26,103 9.342,104 2,105 41,106 0.294,107 0.661,108 0.804,109 0.825,110 0.825,111 0.825,112 3.23,113 0.966,114 -4.06,115 -4.01,116 -3.79,119 41.5,121 2,125 2,127 2,142 3,143 1,145 1,146 1,147 2,149 1,151 1,152 1,163 1,164 1,165 1,172 3,174 2,175 7,177 1,178 1,180 1,183 2,185 1,186 1,187 8,192 1,197 1,198 3,199 5,204 1,207 1,209 1,211 1,212 3,220 2,223 1,224 3,226 2,227 2,232 4,236 1,237 5,245 5,250 1,252 1,253 1,255 1,258 2,260 1,262 1,263 3,268 1,271 2,273 1,275 766,276 16.635,277 16.635,278 16.635,279 16.635,280 16.635,281 14.817,282 15.774,283 9.633,284 17.232,285 13.88,286 13.88,287 13.88,288 13.88,289 13.88,290 11.13,291 21.609,292 4.654,293 14.912,294 3.673,295 1.569,296 0.75,297 0.634,298 0.634,299 0.634,300 3.946,303 1,304 1,305 1,306 478,307 2.121,310 95.863,311 172.098,312 63.969,314 84.81,318 1.278,319 18.786,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 51.5,331 208,332 4.605,333 3.377,334 6.74,335 4.138,336 3.209,337 4.53,338 0.86,339 11.052,340 2.977,341 4.134,342 3.09,343 6.113,344 3.798,345 2.857,346 3.758,347 0.8,348 8.984,349 2.695,350 3.907,351 2.774,352 5.906,353 3.665,354 2.714,355 3.122,357 8.454,358 2.562,359 3.656,360 2.52,361 5.497,362 3.216,363 2.291,364 3.06,366 7.161,367 2.124,368 3.522,369 2.352,370 5.045,371 3.205,372 2.27,373 2.692,375 6.092,376 2.114,377 2.965,378 2.093,379 4.879,380 2.839,381 1.879,382 2.18,384 5.638,385 1.794,386 2.879,387 1.58,388 4.577,389 2.403,390 1.491,391 1.879,393 4.418,394 1.362,395 2.697,396 1.511,397 4.379,398 2.366,399 1.441,400 1.732,402 4.155,403 1.316,404 2.539,405 1.055,406 3.564,407 1.959,408 1.05,409 1.558,411 2.409,412 0.956,413 2.5,414 1,415 3.414,416 1.931,417 1,418 1.5,420 2.275,421 0.904,422 1.993,423 0.964,424 3.413,425 1.651,426 0.72,427 0.823,428 1.775,429 0.662,430 1.688,431 0.618,432 3.267,433 1.414,434 0.537,435 0.655,436 1.476,437 0.464,438 1.166,439 -0.052,440 2.774,441 0.761,442 -0.171,443 -0.217,445 -0.385,446 -0.158,447 0.902,448 -0.075,449 2.653,450 0.602,451 -0.347,452 -0.347,454 -1.042,455 -0.327,456 0.653,457 -0.289,458 2.583,459 0.48,460 -0.431,461 -0.517,463 -1.312,464 -0.39,465 11.667,466 0.486,467 0.585,468 0.024,469 32,470 1.333,471 15,472 0.625,473 17,474 0.708,475 19.581,476 0.816,477 24.933,478 0.608,479 19.975,480 0.832,481 5.719,482 0.238,483 6.04,484 0.252,485 0.034,487 0.377,493 0.938,494 1.256,495 0.7,496 0.911,497 1.007,498 0.845,499 1.151,500 1.04,501 0.873,502 0.934,503 0.727,504 0.889,505 1.388,506 1.198,507 0.934,508 0.97,509 1.035,510 0.979,511 0.845,512 0.822,513 0.797,514 0.733,515 0.86,516 0.853,517 0.752,518 0.955,519 1.105,520 1.011,521 0.683,522 0.849,523 0.869,524 1.014,525 1.239,526 1.241,527 0.876,528 1.176,529 0.883,530 1.214,531 1.435,532 1.454,533 0.9,534 1.256,535 0.989,536 0.944,537 1.009,538 1.041,539 1.079,540 1.191,541 5,542 0.063,543 2.444,544 1.16,545 1.043,546 0.83,547 0.372,548 0.239,549 0.223,550 0.077,551 6556,552 16459,553 2.262,554 41.5,556 9,557 1,558 1,559 2,561 4,564 1.674,565 2.182,566 3.095,567 0.337,568 1,569 1,571 1,573 69.076,574 1.685,575 3.788,576 4.607,577 4.723,578 4.723,579 4.723,580 2.507,581 4.054,582 4.557,583 3.221,584 888.999,585 7.891,586 10029.9,587 1,588 1,590 1,591 219.66,592 1.175,593 4.543,594 0.179,595 0.013,596 0.06,597 0.031,598 0.032,599 0.024,600 0.011,601 0.008,602 0.013,603 0.006,604 0.375,605 0.5,606 0.88,607 0.382,608 111.448,609 -0.081,610 -0.139,611 0.073,612 0.014,613 -0.106,614 0.038,615 -0.017,616 0.029,617 0.016,618 0.015,619 0.139,620 0.012,621 -0.131,622 -0.219,623 -0.02,624 -0.053,625 -0.037,626 -0.049,627 -0.007,628 0.174,629 0.088,630 0.152,631 0.02,632 0.105,633 0.028,634 0.067,635 0.029,636 0.097,637 0.05,638 0.161,639 -0.015,640 0.084,641 -0.164,642 -0.148,643 -0.066,644 -0.229,645 -0.006,646 -0.212,647 -0.263,648 -0.318,649 -0.054,650 -0.248,651 -0.075,652 -0.062,653 -0.126,654 -0.129,655 -0.127,656 -0.185,657 1.166,658 2.465,659 0.958,660 16.826,661 1.005,662 1.125,663 2.827,664 7.994,665 0.7,666 3.367,667 3.738,668 4.06,669 4.394,670 4.654,671 4.828,672 5.004,673 5.159,674 5.293,675 5.389,676 5.227,677 0.663,678 339.46,679 3.367,680 4.934,681 5.814,682 6.718,683 7.613,684 8.522,685 9.424,686 10.335,687 11.242,688 12.154,689 12.2,693 1,695 1,699 3,703 2,704 5,705 3,708 1,709 4,711 16,722 1,726 1,731 41,733 16,735 28,737 45,738 17,739 11,746 5,747 7,755 4,758 4,761 11,762 6,777 1,778 1,781 17,782 6,783 2,784 7,785 1,790 5,794 0.6,795 1,801 1,805 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,848 24,849 1,854 4,856 1,858 2,859 1,865 1,870 2.4,874 1,877 11,878 7.3,879 5.028,880 2.518,881 3.02,882 1.39,883 1.061,884 3.421,885 10.769,886 3.611,887 4.245,888 4.874,889 5.508,890 6.061,891 6.475,892 6.96,893 7.416,894 7.728,895 8.089,896 0.833,897 38,898 8.878,900 3.932,901 7.542,902 17.393,904 15.24,905 2.042,906 49,909 1,910 176.567,911 98.743,912 86.378,914 11,916 31.278,917 67.465,918 187.566,919 86.378,921 9.28,922 68.975,923 73.128,924 19.829,925 17.173,926 184.302,928 176.567,929 153.843,930 11,931 31.278,933 131.81,934 47.084,935 11,937 20.472,938 80.687,939 50.357,940 31.278,941 176.567,942 97.378,943 98.743,946 176.567,947 53.617,948 48.25,950 94.254,951 176.567,952 97.378,953 98.743,955 0.593,956 0.347,957 0.194,958 0.107,959 24,960 9,961 0.044,962 2,963 3,964 1.217,965 3.675,966 216.152,967 0.261,968 22,969 104.039,970 1,974 14.554,975 5.641,976 2.577,977 2.124,978 97.378,979 9.556,980 13.753,983 1.694,984 3.097,986 32.897,987 372.687,988 36,999 41.214,1000 46.112,1001 0.314,1002 0.707,1003 0.86,1004 0.882,1005 0.882,1006 0.882,1007 4.875,1008 1.441,1009 5.808,1010 4.418,1011 4.419,1012 4.931,1013 1.235,1014 6.645,1015 4.28,1016 6.078,1017 1.05,1018 7.375,1019 4.155,1020 4.007,1021 4.732,1022 0.325,1023 7.535,1024 3.81,1025 7.388,1026 1,1027 9.036,1028 2.409,1029 6.038,1030 7.15,1031 0.938,1032 10.661,1033 5.77,1034 8.733,1035 0.72,1036 10.753,1037 2.275,1038 6.447,1039 7.828,1040 0.268,1041 12.387,1042 6.106,1043 10.111,1044 0.537,1045 12.506,1046 1.775,1047 7.931,1048 9.705,1049 0.732,1050 15.021,1051 7.531,1052 11.514,1053 -0.171,1054 14.286,1055 1.476,1056 8.721,1057 10.804,1058 0.188,1059 17.11,1060 8.24,1061 12.935,1062 -0.347,1063 16.085,1064 -0.385,1065 9.988,1066 12.461,1067 0.57,1068 19.576,1069 9.446,1070 3.209,1071 -0.431,1072 17.9,1073 -1.042,1074 10.961,1075 13.768,1076 0.125,1077 21.829,1078 10.337,1079 2.857,1080 11.052,1081 19.726,1082 -1.312,1083 12.141,1084 15.331,1085 0.438,1086 24.24,1087 11.453,1088 2.714,1089 8.984,1090 21.563,1091 4.53,1092 13.202,1093 16.74,1094 0.082,1095 26.568,1096 12.433,1097 2.291,1098 8.454,1099 23.409,1100 3.758,1101 14.352,1102 18.266,1103 0.334,1104 28.962,1105 13.514,1106 2.27,1107 7.161,1108 25.262,1109 3.122,1110 15.455,1111 19.725,1112 0.054,1113 31.326,1114 14.537,1115 1.879,1116 6.092,1117 27.121,1118 3.06,1119 16.598,1120 21.237,1121 0.252,1122 33.718,1123 15.607,1124 1.491,1125 5.638,1126 28.986,1127 2.692,1128 17.723,1129 22.72,1130 0.035,1131 36.099,1132 16.654,1133 5948,1134 9556,1135 19.592,1136 28.699,1137 43.314,1138 43.023,1139 43.304,1140 42.882,1141 42.916,1142 54.976,1143 3.32,1144 127.776,1145 39.857,1146 5.605,1147 5.377,1148 6.225,1149 5.248,1150 5.209,1151 7.53,1152 1.72,1153 18.308,1154 4.92,1155 6.394,1156 1.547,1157 1.537,1158 1.547,1159 1.532,1160 1.533,1161 1.963,1162 0.119,1163 4.563,1164 1.423,1165 4.09,1166 4.119,1167 4.318,1168 4.047,1169 5.188,1170 4.009,1171 3.89,1172 3.931,1173 3.846,1174 3.749,1175 5.02,1176 3.75,1177 3.824,1178 3.857,1179 3.8,1180 3.735,1181 4.664,1182 3.729,1183 3.317,1184 3.381,1185 3.379,1186 3.157,1187 4.547,1188 3.159,1189 3.178,1190 3.259,1191 3.089,1192 2.981,1193 4.27,1194 2.988,1195 3.093,1196 3.176,1197 2.89,1198 2.951,1199 3.965,1200 2.926,1201 2.891,1202 2.996,1203 2.817,1204 2.674,1205 3.8,1206 2.672,1207 2.77,1208 2.855,1209 2.695,1210 2.557,1211 3.522,1212 2.565,1213 0.164,1214 0.121,1215 0.241,1216 0.148,1217 0.115,1218 4.605,1219 0.162,1220 3.377,1221 0.031,1222 6.74,1223 0.395,1224 4.138,1225 0.106,1226 3.209,1227 4.53,1228 0.86,1229 11.052,1230 2.977,1231 1.909,1232 1.877,1233 1.971,1234 2.054,1235 1.255,1236 2.034,1237 1.743,1238 1.705,1239 1.871,1240 1.922,1241 1.218,1242 1.911,1243 1.604,1244 1.543,1245 1.86,1246 1.76,1247 1.004,1248 1.798,1249 1.573,1250 1.53,1251 1.699,1252 1.756,1253 0.828,1254 1.741,1255 1.377,1256 1.372,1257 1.391,1258 1.432,1259 0.621,1260 1.489,1261 1.034,1262 0.979,1263 1.231,1264 1.287,1265 0.496,1266 1.292,1267 0.779,1268 0.668,1269 1.215,1270 1.051,1271 0.289,1272 1.114,1273 0.748,1274 0.668,1275 1.063,1276 1.043,1277 0.216,1278 1.048,1279 4.043,1281 5.398,1282 3.045,1283 6.942,1284 5.352,1285 8.574,1286 7.391,1287 10.255,1293 5.691,1295 4.1,1297 5.965,1299 0.658,1300 2.362,1305 27.17,1306 69.076,1307 155.321,1308 188.905,1309 193.66,1310 193.66,1311 193.66,1312 27.755,1313 7.749,1314 77.16,1315 105.4,1316 28,1317 12.669,1318 4.087,1319 3.17,1320 30.148,1321 74,1322 85,1323 0.2,1324 165.48,1325 271.98,1326 395.532,1327 23643,1329 16.096,1330 0.671,1331 0.578,1332 16.449,1333 13.869,1334 11.759,1335 0.42,1336 0.322,1337 8.097,1338 10.85,1339 7.896,1340 6.429,1341 12.213,1342 9.016,1343 11.047,1344 0.269,1345 0.177,1346 11.604,1347 7.256,1348 9.703,1349 0.17,1350 0.098,1351 10.392,1352 5.573,1353 8.524,1354 0.107,1355 0.055,1356 9.308,1357 4.364,1358 6.982,1359 0.067,1360 0.028,1361 7.566,1362 2.935,1363 0.302,1364 78.047,1365 0.226,1366 22.894,1367 0.582,1368 138,1369 366.489,1370 173.926,1371 375.837,1372 530.62,1373 356,1374 167,1375 392.615,1376 202.633,1377 408.889,1378 608.79,1379 387,1380 5.753}
{0 CHEMBL595746,1 1.52,2 9.31,3 1.59,4 2.527,5 111.743,6 7.027,7 0.485,8 4.14,9 4.267,10 3.671,11 3.632,12 5.128,13 3.617,14 4.73,15 4.918,16 4.028,17 4.058,18 5.666,19 4.016,20 4.992,21 5.231,22 4.092,23 4.212,24 5.854,25 4.13,26 5.016,27 5.268,28 4.077,29 4.221,30 5.894,31 4.13,32 4.974,33 5.208,34 4.105,35 4.229,36 5.874,37 4.146,38 4.98,39 5.203,40 4.11,41 4.227,42 5.931,43 4.153,44 4.971,45 5.191,46 4.036,47 4.224,48 5.847,49 4.129,50 5.022,51 5.258,52 3.939,53 4.257,54 5.825,55 4.118,56 0.037,57 0.868,58 12.784,59 4.939,60 7.444,61 6.955,62 0.32,63 1.434,64 25.043,65 8.247,66 24.755,67 11.915,68 0.351,69 1.745,70 33.554,71 10.658,72 33.485,73 16.34,74 0.419,75 1.781,76 34.621,77 11.078,78 38.261,79 16.863,80 0.29,81 1.741,82 32.516,83 10.846,84 35.228,85 16.486,86 0.439,87 1.775,88 32.771,89 10.063,90 45.848,91 15.453,92 0.383,93 1.715,94 32.316,95 10.76,96 32.815,97 16.055,98 0.39,99 1.716,100 34.213,101 12.941,102 31.472,103 18.616,104 3,105 46,106 0.25,107 0.597,108 0.773,109 0.831,110 0.831,111 0.831,112 3.409,113 0.95,114 -4.17,115 -4.11,116 -3.89,119 39.3,121 2,125 7,127 1,142 5,143 3,147 1,149 1,151 1,161 1,172 7,174 3,175 9,180 3,183 7,186 1,187 7,192 2,195 3,198 3,199 8,202 1,204 2,207 5,211 1,212 7,217 1,220 3,224 9,227 3,229 2,232 6,236 2,237 3,245 7,250 2,253 4,255 2,258 5,263 4,268 3,271 2,275 1260,276 20.438,277 20.438,278 20.438,279 20.438,280 20.438,281 18.705,282 27.82,283 12.23,284 21,285 16.295,286 16.295,287 16.295,288 16.295,289 16.295,290 13.496,291 37.755,292 5.773,293 17.213,294 4.287,295 2.176,296 1.1,297 0.75,298 0.75,299 0.75,300 4.125,304 1,305 1,306 600,307 2.345,310 59.412,311 311.225,314 106.826,318 1.239,319 23.045,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 62.5,331 270,332 4.694,333 3.379,334 6.903,335 4.234,336 3.288,337 4.638,338 0.86,339 11.617,340 3.113,341 4.2,342 3.029,343 6.328,344 3.823,345 2.86,346 3.821,347 0.8,348 9.593,349 2.777,350 3.986,351 2.912,352 6.131,353 3.716,354 2.768,355 3.357,356 0.765,357 9.04,358 2.608,359 3.649,360 2.596,361 5.574,362 3.322,363 2.366,364 3.032,365 0.4,366 7.167,367 2.258,368 3.438,369 2.435,370 5.281,371 3.236,372 2.263,373 2.523,375 6.685,376 2.191,377 3.012,378 2.217,379 4.793,380 2.766,381 1.844,382 2.178,384 4.963,385 1.696,386 2.97,387 1.88,388 4.386,389 2.484,390 1.525,391 2.07,393 4.175,394 1.461,395 2.702,396 1.61,397 4.161,398 2.416,399 1.502,400 1.775,402 3.569,403 1.364,404 2.625,405 1.47,406 3.761,407 2.187,408 1.235,409 1.661,411 2.928,412 1.177,413 2.442,414 1.256,415 3.502,416 2.06,417 1.138,418 1.426,420 2.616,421 1.037,422 2.242,423 1.21,424 3.484,425 1.984,426 1,427 1.222,428 2.495,429 0.983,430 2,431 1.077,432 3.399,433 1.96,434 1,435 1,436 2.136,437 0.957,438 2,439 1.026,440 3.247,441 1.952,442 1,443 1,445 2.136,446 0.946,447 1.947,448 0.934,449 3.247,450 1.569,451 0.635,452 0.811,454 1.755,455 0.591,456 1.583,457 0.726,458 2.771,459 1.32,460 0.427,461 0.48,463 0.621,464 0.376,465 13.667,466 0.471,467 0.513,468 0.018,469 34.75,470 1.198,471 14.5,472 0.5,473 20.25,474 0.698,475 26.754,476 0.923,477 31.933,478 0.57,479 25.669,480 0.885,481 6.669,482 0.23,483 7.662,484 0.264,485 0.024,487 0.315,493 0.962,494 1.513,495 0.835,496 1.185,497 0.914,498 1.02,499 1.252,500 1.097,501 1.012,502 0.956,503 0.953,504 0.949,505 0.932,506 1.148,507 0.928,508 0.962,509 0.598,510 0.94,511 0.827,512 0.941,513 0.928,514 0.9,515 0.896,516 0.912,517 0.776,518 1.153,519 0.899,520 1.007,521 0.806,522 0.966,523 1.007,524 1.085,525 1.102,526 1.013,527 0.841,528 1.042,529 0.958,530 1.094,531 1.148,532 1.12,533 0.777,534 1.141,535 0.656,536 0.97,537 1.106,538 1.192,539 0.64,540 1.21,541 4,542 0.07,543 2.889,544 1.472,545 1.334,546 1.157,547 0.709,548 0.366,549 0.209,550 0.151,551 10200,552 23075,553 2.215,554 48.2,556 20,557 1,559 2,562 4,564 1.729,565 2.148,566 3.203,567 0.228,568 1,569 1,573 85.113,574 1.52,575 3.632,576 4.707,577 5.057,578 5.057,579 5.057,580 2.5,581 4.582,582 4.827,583 3.346,584 1358.5,585 8.463,586 17847.9,588 1,590 1,591 325.212,592 1.091,593 4.82,594 0.121,595 0.004,596 0.063,597 0.031,598 0.028,599 0.024,600 0.015,601 0.008,602 0.005,603 0.005,604 0.305,605 0.33,606 0.88,607 0.503,608 143.783,609 -0.052,610 -0.264,611 0.074,612 -0.074,613 -0.055,614 0.002,615 -0.11,616 0.058,617 -0.041,618 0.051,619 -0.067,620 0.015,621 -0.04,622 -0.093,623 0.039,624 0.022,625 0.074,626 0.038,627 0.005,628 0.115,629 0.04,630 0.069,631 -0.024,632 0.061,633 0.003,634 -0.083,635 0.051,636 -0.002,637 -0.015,638 0.028,639 -0.059,640 0.046,641 -0.135,642 -0.046,643 -0.007,644 -0.088,645 -0.062,646 0.005,647 -0.195,648 -0.119,649 -0.084,650 -0.161,651 0.068,652 0.049,653 -0.172,654 -0.149,655 0.017,656 -0.187,657 1.488,658 3.547,659 0.931,660 26.012,661 0.998,662 1.134,663 2.939,664 8.64,665 0.648,666 3.526,667 3.85,668 4.19,669 4.511,670 4.804,671 4.956,672 5.204,673 5.398,674 5.541,675 5.656,676 5.835,677 0.613,678 393.54,679 3.526,680 5.069,681 5.943,682 6.834,683 7.73,684 8.634,685 9.54,686 10.452,687 11.365,688 12.282,689 8.9,691 1,695 1,697 1,699 2,703 2,704 6,705 2,709 4,710 1,711 16,726 1,731 56,733 16,734 1,735 33,737 60,738 22,739 12,740 2,741 4,746 5,747 6,752 1,755 3,758 3,761 12,762 10,778 1,781 27,782 6,783 2,784 7,790 5,794 0.8,795 2,796 1,806 1,807 1,811 1,812 4,815 1,835 1,838 1,839 1,840 4,848 29,853 1,854 9,855 1,856 1,858 1,859 1,870 3.6,871 1,874 1,877 13.5,878 9.75,879 6.417,880 3.546,881 3.017,882 1.378,883 0.992,884 5.401,885 11.006,886 3.738,887 4.327,888 4.981,889 5.632,890 6.221,891 6.668,892 7.197,893 7.667,894 8.018,895 8.389,896 0.714,897 48,898 10.77,900 4.635,901 7.529,902 21.249,904 18.142,905 2.029,906 58.833,910 294.278,911 94.421,912 56.605,914 53.683,917 94.421,918 347.961,919 56.605,921 22.677,922 117.123,923 46.286,924 16.295,925 14.099,926 282.506,928 294.278,929 151.026,930 53.683,933 249.521,934 47.084,935 53.683,937 44.302,938 70.825,939 33.571,941 294.278,942 110.288,943 94.421,946 294.278,947 37.992,948 61.452,949 18.011,950 87.254,951 294.278,952 110.288,953 94.421,955 0.572,956 0.346,957 0.198,958 0.113,959 24,960 9,961 0.067,962 4,963 1,964 1.074,965 4.025,966 276.539,967 0.074,968 27,969 132.881,974 18.859,975 8.306,976 3.725,977 2.102,978 108.389,979 12.198,980 9.984,984 3.498,985 2.335,986 60.694,987 498.987,988 41,999 55.883,1000 63.478,1001 0.262,1002 0.625,1003 0.811,1004 0.871,1005 0.871,1006 0.871,1007 4.984,1008 1.502,1009 5.911,1010 4.175,1011 4.533,1012 5.014,1013 1.595,1014 6.746,1015 4.43,1016 6.161,1017 1.235,1018 7.474,1019 3.569,1020 4.007,1021 4.796,1022 0.325,1023 7.687,1024 3.866,1025 7.465,1026 1.138,1027 9.143,1028 2.928,1029 6.133,1030 7.234,1031 1.191,1032 10.846,1033 5.937,1034 8.811,1035 1,1036 10.878,1037 2.616,1038 6.509,1039 7.954,1040 0.268,1041 12.662,1042 6.266,1043 10.2,1044 1,1045 12.656,1046 2.495,1047 8.045,1048 9.83,1049 0.911,1050 15.324,1051 7.752,1052 11.616,1053 1,1054 14.463,1055 2.136,1056 8.838,1057 10.979,1058 0.188,1059 17.489,1060 8.493,1061 13.055,1062 0.635,1063 16.292,1064 2.136,1065 10.136,1066 12.636,1067 0.695,1068 19.992,1069 9.742,1070 3.288,1071 0.427,1072 18.137,1073 1.755,1074 11.127,1075 13.987,1076 0.125,1077 22.307,1078 10.678,1079 2.86,1080 11.617,1081 19.993,1082 0.621,1083 12.333,1084 15.558,1085 0.523,1086 24.759,1087 11.833,1088 2.768,1089 9.593,1090 21.859,1091 4.638,1092 13.418,1093 17.003,1094 0.082,1095 27.141,1096 12.861,1097 2.366,1098 9.04,1099 23.732,1100 3.821,1101 14.593,1102 18.543,1103 0.389,1104 29.58,1105 13.983,1106 2.263,1107 7.167,1108 25.612,1109 3.357,1110 15.722,1111 20.033,1112 0.054,1113 31.994,1114 15.055,1115 1.844,1116 6.685,1117 27.498,1118 3.032,1119 16.89,1120 21.563,1121 0.287,1122 34.432,1123 16.168,1124 1.525,1125 4.963,1126 29.388,1127 2.523,1128 18.042,1129 23.074,1130 0.035,1131 36.862,1132 17.263,1133 9479,1134 14371,1135 23.057,1136 36.313,1137 49.704,1138 50.367,1139 50.33,1140 49.69,1141 49.704,1142 61.985,1143 5.649,1144 142.989,1145 47.065,1146 5.694,1147 5.379,1148 6.705,1149 5.338,1150 5.288,1151 7.638,1152 1.72,1153 19.164,1154 5.113,1155 7.244,1156 1.506,1157 1.526,1158 1.525,1159 1.506,1160 1.506,1161 1.878,1162 0.171,1163 4.333,1164 1.426,1165 4.153,1166 4.198,1167 4.124,1168 4.018,1169 6.457,1170 4.038,1171 3.904,1172 3.936,1173 3.84,1174 3.835,1175 5.08,1176 3.833,1177 3.792,1178 3.854,1179 3.678,1180 3.625,1181 4.681,1182 3.627,1183 3.703,1184 3.763,1185 3.576,1186 3.495,1187 4.615,1188 3.507,1189 3.331,1190 3.386,1191 3.253,1192 3.144,1193 4.423,1194 3.162,1195 3.179,1196 3.238,1197 3.045,1198 2.962,1199 4.267,1200 2.97,1201 3.111,1202 3.206,1203 2.895,1204 2.941,1205 3.992,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.642,1212 2.91,1213 0.142,1214 0.102,1215 0.209,1216 0.128,1217 0.1,1218 4.694,1219 0.141,1220 3.379,1221 0.026,1222 6.903,1223 0.352,1224 4.234,1225 0.094,1226 3.288,1227 4.638,1228 0.86,1229 11.617,1230 3.113,1231 1.963,1232 1.934,1233 2.06,1234 2.102,1235 1.403,1236 2.087,1237 1.851,1238 1.799,1239 2.03,1240 2.016,1241 1.222,1242 2.023,1243 1.785,1244 1.738,1245 1.939,1246 1.959,1247 1.153,1248 1.959,1249 1.585,1250 1.537,1251 1.734,1252 1.787,1253 0.895,1254 1.773,1255 1.411,1256 1.345,1257 1.583,1258 1.633,1259 0.825,1260 1.627,1261 1.196,1262 1.147,1263 1.513,1264 1.453,1265 0.825,1266 1.452,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.713,1272 1.429,1273 1.153,1274 1.064,1275 1.458,1276 1.376,1277 0.591,1278 1.429,1279 4.205,1281 5.525,1282 2.398,1283 7.06,1284 4.727,1285 8.689,1286 6.862,1287 10.369,1294 9.547,1295 7.408,1296 3.446,1297 5.554,1299 0.456,1300 2.305,1305 34.331,1306 85.113,1307 203.382,1308 263.602,1309 283.212,1310 283.212,1311 283.212,1312 38.948,1313 7.989,1314 75.44,1315 75.44,1316 29,1317 12.794,1318 4.087,1319 3.17,1320 39.164,1321 102,1322 105,1323 0.192,1324 206.307,1325 348.76,1326 495.15,1327 30307,1329 19.631,1330 0.677,1331 0.571,1332 19.631,1333 16.55,1334 14.331,1335 0.434,1336 0.317,1337 10.287,1338 13.718,1339 10.137,1340 8.284,1341 14.331,1342 10.455,1343 12.461,1344 0.271,1345 0.169,1346 12.461,1347 7.77,1348 11.211,1349 0.172,1350 0.091,1351 11.211,1352 5.932,1353 9.75,1354 0.108,1355 0.048,1356 9.75,1357 4.351,1358 8.309,1359 0.069,1360 0.025,1361 8.309,1362 3.084,1363 0.29,1364 90.121,1365 0.208,1366 26.871,1367 0.564,1368 158,1369 408.799,1370 173.142,1371 390.434,1372 548.62,1373 372,1374 190,1375 409.25,1376 206.753,1377 412.648,1378 617.01,1379 391,1380 7.585}
{0 CHEMBL596298,1 1.62,2 8.522,3 1.65,4 2.723,5 81.993,6 8.28,7 0.615,8 3.759,9 3.875,10 3.429,11 3.281,12 4.933,13 3.301,14 4.288,15 4.455,16 3.773,17 3.661,18 5.394,19 3.664,20 4.472,21 4.677,22 3.796,23 3.76,24 5.54,25 3.726,26 4.448,27 4.675,28 3.745,29 3.706,30 5.538,31 3.674,32 4.401,33 4.612,34 3.735,35 3.692,36 5.499,37 3.668,38 4.434,39 4.645,40 3.681,41 3.694,42 5.56,43 3.654,44 4.365,45 4.586,46 3.468,47 3.569,48 5.423,49 3.493,50 4.173,51 4.43,52 3.125,53 3.347,54 5.179,55 3.224,56 0.055,57 0.621,58 6.068,59 2.807,60 8.899,61 3.4,62 0.307,63 0.98,64 12.911,65 4.731,66 20.264,67 5.726,68 0.365,69 1.125,70 17.147,71 6.093,72 25.949,73 8.079,74 0.322,75 1.124,76 16.949,77 5.369,78 33.85,79 7.451,80 0.286,81 1.068,82 15.66,83 5.105,84 29.127,85 6.982,86 0.361,87 1.084,88 16.027,89 5.167,90 37.519,91 6.821,92 0.334,93 0.929,94 15.969,95 5.543,96 28.853,97 7.453,98 0.218,99 0.722,100 14.646,101 5.525,102 25.999,103 7.751,104 3,105 36,106 0.287,107 0.672,108 0.789,109 0.827,110 0.827,111 0.827,112 3.19,113 0.853,114 -3.79,115 -3.75,116 -3.57,119 43.2,125 4,142 4,143 2,147 1,149 2,152 1,158 1,160 1,172 6,174 3,175 3,178 1,183 6,186 1,187 6,190 3,195 3,198 3,199 8,211 1,212 7,217 1,223 2,224 4,227 1,229 2,236 2,237 3,242 2,249 2,250 2,255 1,263 2,266 1,275 653,276 16.162,277 16.162,278 16.162,279 16.162,280 16.162,281 14.305,282 13.779,283 9.652,284 16.669,285 12.824,286 12.824,287 12.824,288 12.824,289 12.824,290 9.875,291 17.206,292 4.531,293 13.642,294 3.59,295 1.415,296 0.757,297 0.541,298 0.541,299 0.541,300 3.892,303 1,304 1,305 1,306 433,307 2.121,310 47.206,311 176.543,314 82.948,318 1.195,319 20.569,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 50,331 196,332 4.604,333 4.058,334 6.732,335 4.135,336 3.194,337 4.53,338 2.035,339 11.014,340 3.006,341 4.2,342 3.304,343 6.132,344 3.777,345 2.797,346 3.83,347 0.86,348 9.047,349 2.739,350 3.798,351 2.848,352 5.767,353 3.427,354 2.508,355 3.159,356 0.8,357 7.816,358 2.304,359 3.737,360 2.669,361 5.281,362 3.27,363 2.295,364 3.032,366 6.694,367 2.231,368 3.203,369 2.285,370 4.679,371 2.693,372 1.79,373 2.266,375 4.788,376 1.612,377 3.015,378 2.233,379 4.382,380 2.475,381 1.518,382 2.099,384 4.159,385 1.45,386 2.797,387 1.556,388 3.715,389 2.169,390 1.252,391 1.764,393 2.934,394 1.154,395 2.619,396 1.519,397 3.492,398 2.083,399 1.163,400 1.5,402 2.591,403 1.053,404 2.5,405 1.256,406 3.444,407 1.952,408 1,409 1.358,411 2.34,412 0.946,413 2.373,414 1.182,415 3.326,416 1.936,417 1,418 1,420 2.136,421 0.933,422 2,423 1,424 3.247,425 1.435,426 0.53,427 0.874,428 1.451,429 0.479,430 1.928,431 0.595,432 2.721,433 1.37,434 0.426,435 0.725,436 0.621,437 0.401,438 0.984,439 -0.05,440 2.689,441 0.52,442 -0.405,443 -0.511,445 -1.092,446 -0.372,447 0.841,448 -0.295,449 2.527,450 0.388,451 -0.574,452 -0.742,454 -1.346,455 -0.552,456 0.705,457 -0.36,458 2.182,459 0.186,460 -0.789,461 -1,463 -1.889,464 -0.767,465 10.733,466 0.467,467 0.41,468 0.018,469 34,470 1.478,471 17.5,472 0.761,473 16.5,474 0.717,475 14.895,476 0.648,477 23.467,478 0.634,479 22.541,480 0.98,481 6.641,482 0.289,483 4.707,484 0.205,485 0.037,487 0.317,493 0.913,494 1.456,495 0.672,496 1.115,497 0.534,498 0.895,499 1.259,500 0.941,501 0.905,502 0.844,503 0.632,504 0.829,505 0.95,506 1.045,507 0.913,508 0.956,509 0.629,510 0.945,511 0.898,512 1.021,513 0.941,514 0.895,515 1.016,516 0.902,517 0.965,518 1.129,519 0.936,520 0.931,521 0.846,522 0.911,523 1.11,524 0.956,525 1.187,526 0.999,527 0.878,528 1.069,529 1.019,530 1.008,531 1.18,532 1.152,533 0.794,534 1.188,535 0.621,536 0.842,537 0.946,538 1.118,539 0.663,540 1.111,541 3.5,542 0.021,543 2.222,544 1.063,545 1.128,546 0.781,547 0.344,548 0.218,549 0.143,550 0.066,551 5449,552 15766,553 2.196,554 37.8,556 12,558 1,559 1,564 1.664,565 2.123,566 3.09,567 -0.241,568 1,569 1,571 1,573 59.937,574 1.62,575 3.794,576 4.453,577 4.669,578 4.669,579 4.669,580 2.475,581 4.263,582 4.495,583 3.182,584 804.979,585 7.773,586 8884.72,587 1,588 1,590 1,591 192.75,592 1.121,593 4.483,594 0.135,595 0.005,596 0.062,597 0.03,598 0.033,599 0.023,600 0.011,601 0.009,602 0.008,603 0.007,604 0.322,605 0.5,606 1,607 0.59,608 105.329,609 -0.084,610 -0.328,611 0.066,612 -0.145,613 0.054,614 -0.033,615 -0.098,616 0.125,617 -0.028,618 0.1,619 -0.023,620 0.048,621 0.037,622 -0.055,623 0.032,624 0.018,625 0.06,626 0.012,627 -0.052,628 0.013,629 0.012,630 0.032,631 -0.089,632 0.036,633 -0.091,634 -0.096,635 -0.007,636 0.009,637 -0.026,638 0.023,639 -0.137,640 0.092,641 -0.258,642 -0.08,643 -0.042,644 -0.163,645 -0.013,646 -0.064,647 -0.196,648 -0.167,649 -0.042,650 -0.202,651 0.158,652 -0.006,653 0.108,654 -0.05,655 0.2,656 0.002,657 1.094,658 3.076,659 0.913,660 16.113,661 1.013,662 1.131,663 2.559,664 6.551,665 0.69,666 3.296,667 3.611,668 3.932,669 4.234,670 4.489,671 4.595,672 4.787,673 4.905,674 4.949,675 4.977,676 5.107,677 0.674,678 306.36,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.357,685 9.251,686 10.15,687 11.048,688 11.95,689 16.2,695 1,697 1,698 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,713 1,726 1,731 37,733 17,734 1,735 26,737 40,738 16,739 11,740 2,741 4,746 4,747 5,760 1,761 11,762 4,777 1,778 1,781 14,782 6,783 1,784 7,787 1,790 6,794 0.75,795 1,806 1,811 1,812 3,815 1,839 1,840 3,848 23,854 4,856 1,859 1,861 1,866 1,868 1,870 2.7,874 1,877 10.833,878 6.833,879 5.111,880 2.235,881 3.302,882 1.454,883 1.024,884 3.568,885 10.581,886 3.611,887 4.201,888 4.874,889 5.511,890 6.074,891 6.486,892 6.993,893 7.419,894 7.724,895 8.1,896 0.833,897 36,898 8.441,900 3.605,901 7.739,902 16.096,904 13.229,905 2.239,906 51.5,910 153.024,911 91.408,912 101.326,914 11,917 91.408,918 164.024,919 101.326,921 13.396,922 37.905,923 98.348,924 61.384,925 4.472,926 141.253,928 153.024,929 192.734,930 11,933 157.068,935 11,937 69.86,938 68.474,939 50.357,941 153.024,942 112.326,943 91.408,946 153.024,947 28.283,948 49.648,949 33.387,950 92.416,951 153.024,952 112.326,953 91.408,955 0.571,956 0.345,957 0.197,958 0.109,959 19,960 7,961 0.05,962 2,963 1,964 1.095,965 3.54,966 194.295,967 0.095,968 21,969 100.042,974 13.988,975 5.866,976 2.602,977 1.45,978 95.54,979 8.91,980 13.51,981 3.116,984 2.793,986 16.786,987 356.758,988 36,999 37.473,1000 41.86,1001 0.311,1002 0.728,1003 0.855,1004 0.896,1005 0.896,1006 0.896,1007 4.844,1008 1.163,1009 5.659,1010 2.934,1011 4.29,1012 4.887,1013 2.461,1014 6.479,1015 4.176,1016 6.05,1017 1,1018 7.213,1019 2.591,1020 3.761,1021 4.62,1022 0.325,1023 7.38,1024 3.62,1025 7.356,1026 1,1027 8.871,1028 2.34,1029 5.878,1030 7.136,1031 3.606,1032 10.518,1033 5.665,1034 8.701,1035 0.53,1036 10.592,1037 2.136,1038 6.236,1039 7.802,1040 0.268,1041 12.282,1042 5.989,1043 10.082,1044 0.426,1045 12.355,1046 1.451,1047 7.763,1048 9.715,1049 4.97,1050 14.917,1051 7.454,1052 11.49,1053 -0.405,1054 14.147,1055 0.621,1056 8.534,1057 10.814,1058 0.188,1059 17.031,1060 8.179,1061 12.917,1062 -0.574,1063 15.958,1064 -1.092,1065 9.821,1066 12.482,1067 6.379,1068 19.499,1069 9.409,1070 3.194,1071 -0.789,1072 17.785,1073 -1.346,1074 10.787,1075 13.791,1076 0.125,1077 21.765,1078 10.322,1079 2.797,1080 11.014,1081 19.623,1082 -1.889,1083 11.979,1084 15.356,1085 7.797,1086 24.177,1087 11.457,1088 2.508,1089 9.047,1090 21.47,1091 4.53,1092 13.039,1093 16.766,1094 0.082,1095 26.51,1096 12.458,1097 2.295,1098 7.816,1099 23.325,1100 3.83,1101 14.195,1102 18.291,1103 9.217,1104 28.905,1105 13.556,1106 1.79,1107 6.694,1108 25.186,1109 3.159,1110 15.3,1111 19.749,1112 0.054,1113 31.27,1114 14.6,1115 1.518,1116 4.788,1117 27.052,1118 3.032,1119 16.446,1120 21.259,1121 10.638,1122 33.661,1123 15.686,1124 1.252,1125 4.159,1126 28.922,1127 2.266,1128 17.574,1129 22.74,1130 0.035,1131 36.042,1132 16.751,1133 5148,1134 8866,1135 18.087,1136 25.534,1137 40.319,1138 41.931,1139 39.469,1140 38.918,1141 38.948,1142 52.274,1143 7.389,1144 111.179,1145 36.617,1146 5.604,1147 6.058,1148 6.534,1149 5.238,1150 5.194,1151 7.53,1152 4.069,1153 18.224,1154 5.006,1155 6.196,1156 1.551,1157 1.613,1158 1.518,1159 1.497,1160 1.498,1161 2.011,1162 0.284,1163 4.276,1164 1.408,1165 4.104,1166 4.156,1167 4.082,1168 3.951,1169 6.82,1170 3.974,1171 3.882,1172 3.913,1173 3.833,1174 3.787,1175 5.179,1176 3.8,1177 3.724,1178 3.783,1179 3.608,1180 3.493,1181 4.718,1182 3.511,1183 3.305,1184 3.367,1185 3.274,1186 3.122,1187 4.622,1188 3.151,1189 3.127,1190 3.206,1191 3.069,1192 2.943,1193 4.427,1194 2.963,1195 3.111,1196 3.187,1197 2.866,1198 2.941,1199 4.038,1200 2.91,1201 2.929,1202 2.99,1203 2.851,1204 2.709,1205 3.623,1206 2.73,1207 2.694,1208 2.771,1209 2.569,1210 2.459,1211 3.588,1212 2.487,1213 0.177,1214 0.156,1215 0.259,1216 0.159,1217 0.123,1218 4.604,1219 0.174,1220 4.058,1221 0.078,1222 6.732,1223 0.424,1224 4.135,1225 0.116,1226 3.194,1227 4.53,1228 2.035,1229 11.014,1230 3.006,1231 1.95,1232 1.923,1233 2.027,1234 2.081,1235 1.216,1236 2.06,1237 1.788,1238 1.743,1239 1.933,1240 1.953,1241 1.096,1242 1.954,1243 1.58,1244 1.529,1245 1.709,1246 1.799,1247 0.825,1248 1.781,1249 1.333,1250 1.249,1251 1.513,1252 1.64,1253 0.816,1254 1.6,1255 1.153,1256 1.079,1257 1.48,1258 1.376,1259 0.372,1260 1.429,1261 1.121,1262 1.064,1263 1.226,1264 1.29,1265 0.239,1266 1.267,1267 0.935,1268 0.887,1269 1.127,1270 1.106,1271 0.2,1272 1.104,1273 0.736,1274 0.656,1275 1.06,1276 1.091,1277 0.174,1278 1.086,1279 3.97,1281 5.283,1282 2.398,1283 6.808,1284 4.595,1285 8.428,1286 6.605,1287 10.1,1295 2.92,1297 5.413,1300 2.17,1303 9.076,1304 2.143,1305 24.95,1306 59.937,1307 140.385,1308 164.75,1309 172.75,1310 172.75,1311 172.75,1312 27.233,1313 7.279,1314 90.72,1315 90.72,1316 23,1317 12.472,1318 4.17,1319 3.459,1320 31.614,1321 71,1322 73,1323 0.225,1324 153.09,1325 254.25,1326 365.299,1327 13049,1329 15.648,1330 0.68,1331 0.537,1332 15.648,1333 12.359,1334 11.348,1335 0.436,1336 0.284,1337 7.254,1338 10.813,1339 7.155,1340 5.865,1341 11.348,1342 7.393,1343 9.849,1344 0.274,1345 0.146,1346 9.849,1347 5.264,1348 8.771,1349 0.175,1350 0.077,1351 8.771,1352 3.827,1353 7.552,1354 0.111,1355 0.039,1356 7.552,1357 2.679,1358 6.231,1359 0.071,1360 0.02,1361 6.231,1362 1.79,1363 0.34,1364 71.739,1365 0.235,1366 22.077,1367 0.66,1368 124,1369 382.294,1370 137.758,1371 371.458,1372 514.4,1373 350,1374 148,1375 382.932,1376 163.202,1377 387.551,1378 570.42,1379 365,1380 5.535}
{0 CHEMBL596426,1 1.59,2 14.237,3 3.797,4 14.419,5 148.964,6 7.312,7 0.364,8 4.408,9 4.537,10 4.01,11 3.938,12 5.348,13 3.902,14 5.011,15 5.206,16 4.398,17 4.363,18 5.935,19 4.296,20 5.269,21 5.496,22 4.415,23 4.498,24 6.121,25 4.391,26 5.293,27 5.558,28 4.369,29 4.483,30 6.125,31 4.347,32 5.192,33 5.433,34 4.393,35 4.467,36 6.101,37 4.341,38 5.088,39 5.269,40 4.453,41 4.507,42 6.007,43 4.391,44 5.161,45 5.365,46 4.372,47 4.51,48 6.022,49 4.387,50 5.218,51 5.457,52 4.233,53 4.44,54 6.087,55 4.306,56 0.033,57 1.18,58 16.896,59 6.77,60 8.01,61 9.224,62 0.448,63 1.956,64 34.694,65 11.555,66 32.971,67 16.019,68 0.615,69 2.344,70 50.154,71 14.896,72 45.056,73 21.332,74 0.387,75 2.31,76 49.271,77 16.5,78 44.943,79 23.54,80 0.57,81 2.176,82 51.542,83 15.996,84 58.164,85 20.794,86 0.4,87 2.157,88 43.712,89 15.188,90 35.958,91 19.353,92 0.265,93 2.213,94 44.222,95 15.954,96 30.357,97 21.328,98 0.545,99 2.203,100 46.402,101 15.463,102 55.967,103 21.634,104 5,105 64,106 0.246,107 0.557,108 0.731,109 0.795,110 0.812,111 0.812,112 3.668,113 1,114 -4.11,115 -4.06,116 -3.84,119 38.4,121 4,124 1,125 7,127 3,142 5,143 1,144 1,146 1,147 1,149 1,152 2,159 1,172 6,174 2,175 5,178 2,179 1,180 4,183 5,186 2,187 11,192 2,195 2,198 1,199 11,204 5,207 1,211 2,212 6,217 2,220 3,223 2,224 6,227 2,229 1,232 10,236 1,237 5,245 10,249 3,250 4,253 3,255 1,258 6,262 3,263 6,268 1,271 4,275 3052,276 26.132,277 26.132,278 26.132,279 26.132,280 26.132,281 24.239,282 36.989,283 15.168,284 26.941,285 21.829,286 21.829,287 21.829,288 21.829,289 21.829,290 18.78,291 55.882,292 7.393,293 23.224,294 4.6,295 2.594,296 1.471,297 1.051,298 0.942,299 0.942,300 4.389,305 1,306 1235,307 3.536,308 79.327,310 177.666,311 457.394,312 118.106,314 162.354,318 2.209,319 29.331,322 0.75,323 0.5,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.76,330 81.5,331 541,332 4.64,333 3.566,334 6.761,335 4.163,336 3.237,337 4.578,338 1.656,339 11.149,340 2.997,341 4.171,342 3.392,343 6.116,344 3.813,345 2.87,346 3.791,347 0.916,348 8.995,349 2.732,350 3.959,351 3.148,352 5.966,353 3.758,354 2.806,355 3.29,356 0.86,357 8.686,358 2.65,359 3.888,360 2.997,361 5.633,362 3.692,363 2.728,364 3.135,365 0.8,366 7.82,367 2.612,368 3.721,369 2.791,370 5.599,371 3.559,372 2.629,373 2.865,374 0.8,375 7.683,376 2.437,377 3.637,378 2.689,379 5.456,380 3.402,381 2.444,382 2.767,383 0.247,384 7.147,385 2.339,386 3.54,387 2.672,388 5.384,389 3.303,390 2.376,391 2.645,392 0.172,393 7.094,394 2.193,395 3.331,396 2.47,397 5.058,398 3.045,399 2.126,400 2.472,402 6.061,403 1.955,404 3.262,405 2.389,406 4.879,407 2.938,408 1.949,409 2.378,411 5.638,412 1.909,413 2.979,414 2.093,415 4.766,416 2.839,417 1.879,418 2.071,420 5.291,421 1.794,422 2.879,423 2.005,424 4.709,425 2.673,426 1.757,427 1.918,428 5.135,429 1.593,430 2.833,431 1.567,432 4.591,433 2.371,434 1.457,435 1.879,436 4.481,437 1.32,438 2.696,439 1.46,440 4.366,441 2.315,442 1.371,443 1.732,445 4.049,446 1.285,447 2.5,448 1.146,449 3.629,450 2,451 1,452 1.5,454 2.275,455 1,456 2,457 1,458 3.414,459 1.967,460 1,461 1,463 2.275,464 0.965,465 18.3,466 0.482,467 0.964,468 0.025,469 43.5,470 1.145,471 16.5,472 0.434,473 27,474 0.711,475 41.108,476 1.082,477 41.7,478 0.571,479 32.835,480 0.864,481 7.774,482 0.205,483 10.778,484 0.284,485 0.046,487 0.366,493 0.859,494 1.493,495 0.775,496 1.095,497 0.607,498 1.001,499 1.088,500 1.059,501 0.908,502 0.903,503 0.57,504 0.925,505 1.242,506 1.129,507 1.106,508 1.066,509 0.969,510 1.022,511 0.781,512 1.019,513 0.802,514 0.894,515 0.842,516 0.899,517 1.146,518 0.862,519 1.275,520 0.984,521 1.444,522 0.804,523 0.888,524 1.107,525 1.391,526 1.334,527 0.941,528 1.149,529 0.743,530 1.289,531 1.236,532 1.334,533 0.581,534 1.192,535 0.801,536 1.052,537 1.157,538 1.159,539 0.62,540 1.136,541 9,542 0.27,543 3.167,544 2.257,545 1.765,546 1.362,547 0.845,548 0.602,549 0.444,550 0.325,551 25803,552 54915,553 2.239,554 47.9,556 25,559 2,561 8,564 1.791,565 2.151,566 3.739,567 0.175,573 116.075,574 1.59,575 3.596,576 4.719,577 5.138,578 5.248,579 5.248,580 3.255,581 4.702,582 5.209,583 3.953,584 2778.9,585 9.204,586 46223.9,591 451.857,592 1.211,593 5.203,594 0.205,595 0.006,596 0.052,597 0.038,598 0.032,599 0.023,600 0.014,601 0.01,602 0.009,603 0.007,604 0.395,605 0.33,606 0.75,607 0.362,608 210.908,609 -0.023,610 -0.253,611 0.094,612 -0.044,613 0.003,614 0.009,615 0.034,616 0.09,617 0.05,618 0.077,619 0.145,620 0.031,621 -0.105,622 -0.08,623 -0.06,624 -0.048,625 -0.061,626 -0.049,627 0.029,628 -0.043,629 0.163,630 0.083,631 0.077,632 0.096,633 -0.088,634 0.201,635 0.026,636 0.197,637 -0.074,638 0.206,639 -0.03,640 0.074,641 -0.138,642 -0.092,643 -0.119,644 -0.109,645 -0.008,646 -0.188,647 -0.142,648 -0.192,649 -0.031,650 -0.155,651 0.062,652 -0.007,653 -0.157,654 -0.148,655 0.069,656 -0.146,657 1.812,658 5.136,659 0.842,660 53.05,661 0.997,662 1.132,663 2.88,664 8.294,665 0.661,666 3.807,667 4.174,668 4.431,669 4.754,670 5.024,671 5.193,672 5.434,673 5.642,674 5.846,675 6.064,676 8.254,677 0.618,678 533.77,679 3.807,680 5.38,681 6.248,682 7.146,683 8.028,684 8.93,685 9.822,686 10.727,687 11.625,688 12.533,689 9.6,692 2,695 1,696 2,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,731 73,733 17,734 1,735 44,737 79,738 28,739 12,740 2,741 4,746 7,747 9,751 1,755 7,758 7,761 13,762 15,766 1,771 1,775 1,781 35,782 9,783 2,784 10,785 1,790 7,794 0.714,795 2,801 1,806 1,809 1,811 2,812 4,813 1,815 1,836 2,839 1,840 5,842 1,844 1,848 38,854 11,855 2,856 1,858 3,859 3,865 1,870 2.7,873 1,874 1,877 17.667,878 13.167,879 7.944,880 4.692,881 3.072,882 1.344,883 1.028,884 6.825,885 12.006,886 3.989,887 4.562,888 5.096,889 5.721,890 6.284,891 6.721,892 7.258,893 7.753,894 8.127,895 8.566,896 0.9,897 59,898 14.173,900 6.252,901 7.478,902 28.211,904 24.886,905 1.978,906 75.167,910 388.446,911 131.056,912 78.966,914 36.145,916 31.278,917 99.778,918 424.591,919 78.966,920 8.396,921 60.9,922 47.381,923 69.716,924 19.787,925 8.708,926 419.724,928 388.446,929 178.743,930 36.145,931 31.278,933 296.605,934 119.314,935 11,937 69.292,938 73.552,939 33.571,940 31.278,941 388.446,942 115.11,943 131.056,946 388.446,947 75.278,948 65.151,949 36.022,950 69.716,951 388.446,952 115.11,953 131.056,955 0.593,956 0.325,957 0.178,958 0.099,959 35,960 14,961 0.076,962 6,963 3,964 1.156,965 5.005,966 395.628,967 0.188,968 31,969 183.421,970 1,974 24.855,975 10.435,976 5.756,977 2.193,978 115.11,979 10.115,980 10.183,983 1.841,984 4.817,986 36.022,987 634.612,988 53,993 12.136,997 -0.145,999 72.814,1000 82.64,1001 0.257,1002 0.581,1003 0.762,1004 0.83,1005 0.848,1006 0.848,1007 5.278,1008 2.126,1009 6.24,1010 7.094,1011 4.86,1012 5.25,1013 2.371,1014 7.054,1015 4.737,1016 6.465,1017 1.949,1018 7.794,1019 6.061,1020 4.511,1021 5.094,1022 1.494,1023 7.915,1024 4.329,1025 7.766,1026 1.879,1027 9.438,1028 5.638,1029 6.475,1030 7.378,1031 2.651,1032 10.989,1033 6.23,1034 9.094,1035 1.757,1036 11.134,1037 5.291,1038 6.878,1039 8.05,1040 2.426,1041 12.649,1042 6.564,1043 10.453,1044 1.457,1045 12.862,1046 5.135,1047 8.338,1048 9.868,1049 3.321,1050 15.259,1051 7.966,1052 11.834,1053 1.371,1054 14.615,1055 4.481,1056 9.098,1057 10.961,1058 3.436,1059 17.3,1060 8.65,1061 13.234,1062 1,1063 16.387,1064 4.049,1065 10.351,1066 12.593,1067 4.179,1068 19.751,1069 9.846,1070 3.237,1071 1,1072 18.175,1073 2.275,1074 11.293,1075 13.903,1076 4.472,1077 21.98,1078 10.708,1079 2.87,1080 11.149,1081 19.976,1082 2.275,1083 12.462,1084 15.459,1085 5.118,1086 24.383,1087 11.815,1088 2.806,1089 8.995,1090 21.79,1091 4.578,1092 13.498,1093 16.876,1094 5.506,1095 26.703,1096 12.77,1097 2.728,1098 8.686,1099 23.614,1100 3.791,1101 14.638,1102 18.403,1103 6.093,1104 29.096,1105 13.841,1106 2.629,1107 7.82,1108 25.448,1109 3.29,1110 15.724,1111 19.871,1112 6.532,1113 31.459,1114 14.846,1115 2.444,1116 7.683,1117 27.291,1118 3.135,1119 16.858,1120 21.389,1121 7.084,1122 33.855,1123 15.905,1124 2.376,1125 7.147,1126 29.141,1127 2.865,1128 17.972,1129 22.882,1130 7.551,1131 36.24,1132 16.938,1133 23041,1134 33840,1135 30.63,1136 48.256,1137 67.072,1138 68.157,1139 67.488,1140 66.643,1141 66.691,1142 79.957,1143 10.904,1144 196.649,1145 62.659,1146 5.64,1147 5.566,1148 6.175,1149 5.305,1150 5.237,1151 7.578,1152 2.912,1153 18.438,1154 4.997,1155 12.466,1156 1.524,1157 1.549,1158 1.534,1159 1.515,1160 1.516,1161 1.817,1162 0.248,1163 4.469,1164 1.424,1165 4.115,1166 4.143,1167 4.339,1168 4.076,1169 7.431,1170 4.038,1171 3.92,1172 3.969,1173 3.891,1174 3.838,1175 5.049,1176 3.825,1177 3.892,1178 3.935,1179 3.807,1180 3.754,1181 4.702,1182 3.75,1183 3.86,1184 3.918,1185 3.764,1186 3.735,1187 4.66,1188 3.734,1189 3.803,1190 3.854,1191 3.701,1192 3.613,1193 4.425,1194 3.623,1195 3.43,1196 3.49,1197 3.436,1198 3.248,1199 4.349,1200 3.26,1201 3.334,1202 3.392,1203 3.256,1204 3.075,1205 4.254,1206 3.112,1207 3.213,1208 3.307,1209 3.072,1210 2.974,1211 3.996,1212 2.978,1213 0.105,1214 0.081,1215 0.154,1216 0.095,1217 0.074,1218 4.64,1219 0.104,1220 3.566,1221 0.038,1222 6.761,1223 0.253,1224 4.163,1225 0.068,1226 3.237,1227 4.578,1228 1.656,1229 11.149,1230 2.997,1231 1.946,1232 1.918,1233 2.023,1234 2.063,1235 1.312,1236 2.051,1237 1.795,1238 1.743,1239 1.998,1240 2.019,1241 1.255,1242 2.021,1243 1.775,1244 1.726,1245 1.887,1246 1.94,1247 1.219,1248 1.931,1249 1.604,1250 1.543,1251 1.86,1252 1.782,1253 1.106,1254 1.798,1255 1.586,1256 1.542,1257 1.728,1258 1.76,1259 0.932,1260 1.762,1261 1.483,1262 1.458,1263 1.607,1264 1.669,1265 0.86,1266 1.659,1267 1.381,1268 1.326,1269 1.554,1270 1.615,1271 0.825,1272 1.625,1273 1.153,1274 1.064,1275 1.513,1276 1.382,1277 0.825,1278 1.431,1279 4.489,1280 1.946,1281 5.844,1282 4.111,1283 7.375,1284 6.107,1285 8.986,1286 8.017,1287 10.643,1289 2.196,1295 11.543,1296 5.89,1297 6.131,1299 0.91,1300 7.358,1305 45.142,1306 116.075,1307 262.522,1308 344.473,1309 375.102,1310 383.102,1311 383.102,1312 54.598,1313 8.934,1314 85.86,1315 114.1,1316 37,1317 13.052,1318 4.17,1319 3.322,1320 48.472,1321 184,1322 214,1323 0.125,1324 270.867,1325 465.71,1326 652.674,1327 101451,1329 25.639,1330 0.675,1331 0.597,1332 25.993,1333 22.674,1334 18.552,1335 0.422,1336 0.333,1337 13.717,1338 17.358,1339 13.384,1340 10.921,1341 18.96,1342 14.67,1343 17.596,1344 0.275,1345 0.193,1346 18.238,1347 12.327,1348 14.345,1349 0.173,1350 0.107,1351 15.132,1352 8.853,1353 12.511,1354 0.109,1355 0.059,1356 13.449,1357 6.754,1358 10.436,1359 0.069,1360 0.033,1361 11.317,1362 4.958,1363 0.197,1364 120.305,1365 0.181,1366 34.585,1367 0.341,1368 216,1369 539.223,1370 262.782,1371 538.589,1372 754.25,1373 510,1374 258,1375 553.383,1376 304.963,1377 572.863,1378 852.3,1379 541,1380 6.058}
{0 CHEMBL596430,1 1.664,2 10.296,3 2.989,4 8.937,5 103.71,6 8.096,7 0.516,8 3.981,9 4.087,10 3.677,11 3.577,12 5.025,13 3.542,14 4.555,15 4.71,16 4.084,17 3.994,18 5.598,19 3.943,20 4.81,21 5.01,22 4.07,23 4.064,24 5.789,25 3.99,26 4.745,27 4.986,28 3.971,29 4.024,30 5.675,31 3.922,32 4.655,33 4.854,34 3.987,35 4.035,36 5.656,37 3.931,38 4.647,39 4.825,40 4.026,41 4.07,42 5.624,43 3.95,44 4.649,45 4.856,46 3.83,47 3.983,48 5.551,49 3.841,50 4.535,51 4.767,52 3.512,53 3.747,54 5.495,55 3.593,56 0.026,57 0.725,58 9.138,59 4.417,60 6.021,61 5.324,62 0.235,63 1.239,64 19.747,65 7.936,66 22.506,67 9.557,68 0.491,69 1.518,70 29.305,71 9.357,72 43.452,73 11.801,74 0.288,75 1.453,76 26.522,77 9.366,78 31.93,79 12.55,80 0.289,81 1.333,82 26.836,83 9.655,84 32.072,85 11.674,86 0.263,87 1.341,88 24.821,89 9.719,90 27.725,91 11.51,92 0.222,93 1.292,94 28.272,95 10.44,96 23.075,97 12.693,98 0.295,99 1.09,100 22.701,101 8.6,102 38.068,103 11.219,104 7,105 45,106 0.282,107 0.641,108 0.781,109 0.808,110 0.808,111 0.808,112 3.341,113 0.975,114 -4.27,115 -4.21,116 -3.98,119 42.6,120 1,121 2,125 2,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,158 1,172 5,174 2,175 6,178 1,180 3,183 5,186 1,187 9,192 2,195 2,198 1,199 9,204 1,207 3,211 1,212 6,220 5,224 4,227 2,232 7,236 1,237 4,245 6,249 2,250 4,253 1,255 1,258 4,263 2,268 1,271 4,275 1071,276 18.497,277 18.497,278 18.497,279 18.497,280 18.497,281 16.524,282 19.451,283 10.782,284 19.028,285 15.38,286 15.38,287 15.38,288 15.38,289 15.38,290 12.353,291 28.867,292 5.207,293 16.306,294 3.891,295 1.771,296 0.944,297 0.782,298 0.782,299 0.782,300 4.054,303 1,304 1,305 1,306 628,307 2.915,310 116.28,311 207.837,312 76.275,314 104.188,318 1.641,319 22.335,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 278,332 4.605,333 3.533,334 6.74,335 4.138,336 3.209,337 4.53,338 1.907,339 11.052,340 2.98,341 4.152,342 3.377,343 6.115,344 3.808,345 2.86,346 3.773,347 0.86,348 8.993,349 2.723,350 3.908,351 3.09,352 5.907,353 3.691,354 2.736,355 3.19,356 0.8,357 8.458,358 2.586,359 3.796,360 2.776,361 5.497,362 3.442,363 2.474,364 3.089,365 0.149,366 7.195,367 2.388,368 3.525,369 2.523,370 5.419,371 3.215,372 2.29,373 2.695,375 7.154,376 2.115,377 3.381,378 2.391,379 4.879,380 2.952,381 1.937,382 2.595,384 5.638,385 1.952,386 2.953,387 2.093,388 4.594,389 2.839,390 1.879,391 2.147,393 4.775,394 1.794,395 2.879,396 1.582,397 4.512,398 2.399,399 1.475,400 1.879,402 4.392,403 1.362,404 2.697,405 1.535,406 4.309,407 2.366,408 1.439,409 1.731,411 4.07,412 1.317,413 2.54,414 1.063,415 3.568,416 2,417 1.049,418 1.558,420 2.412,421 1,422 2.5,423 1,424 3.414,425 1.932,426 1,427 1.5,428 2.275,429 0.904,430 1.994,431 0.964,432 3.413,433 1.651,434 0.72,435 0.824,436 1.776,437 0.662,438 1.688,439 0.68,440 3.267,441 1.418,442 0.539,443 0.655,445 1.481,446 0.466,447 1.316,448 0.571,449 2.774,450 0.95,451 -0.017,452 -0.021,454 -0.041,455 -0.016,456 0.933,457 0.097,458 2.69,459 0.602,460 -0.347,461 -0.347,463 -1.042,464 -0.327,465 13.1,466 0.485,467 0.691,468 0.026,469 35,470 1.296,471 16.5,472 0.611,473 18.5,474 0.685,475 23.299,476 0.863,477 28.3,478 0.602,479 23.511,480 0.871,481 6.383,482 0.236,483 6.77,484 0.251,485 0.064,487 0.374,493 0.782,494 1.271,495 0.704,496 0.956,497 0.598,498 0.889,499 0.959,500 1.097,501 0.858,502 0.956,503 0.568,504 0.908,505 1.431,506 1.14,507 0.989,508 0.921,509 1.173,510 0.96,511 0.768,512 0.927,513 0.769,514 0.767,515 0.563,516 0.847,517 0.888,518 0.965,519 1.147,520 1.024,521 0.952,522 0.926,523 0.851,524 0.995,525 1.188,526 1.167,527 0.904,528 1.142,529 0.674,530 1.144,531 1.327,532 1.338,533 0.481,534 1.176,535 0.672,536 1.056,537 1.044,538 1.153,539 0.554,540 1.219,541 6,542 0.166,543 2.444,544 1.41,545 1.243,546 0.948,547 0.452,548 0.301,549 0.236,550 0.132,551 9231,552 24035,553 2.208,554 42.6,556 11,557 1,559 1,560 3,561 4,564 1.703,565 2.104,566 3.312,567 -0.309,568 1,569 1,573 78.189,574 1.664,575 3.784,576 4.611,577 4.773,578 4.773,579 4.773,580 2.756,581 4.31,582 4.722,583 3.502,584 1229.11,585 8.21,586 15368.5,588 1,590 1,591 261.066,592 1.28,593 4.703,594 0.194,595 0.011,596 0.054,597 0.034,598 0.032,599 0.024,600 0.012,601 0.009,602 0.01,603 0.007,604 0.386,605 0.33,606 0.88,607 0.806,608 132.562,609 -0.036,610 -0.161,611 0.077,612 -0.01,613 -0.034,614 0.019,615 0.048,616 -0.022,617 0.042,619 0.112,620 0.009,621 -0.187,622 -0.128,623 -0.064,624 -0.008,625 -0.14,626 -0.04,627 -0.033,628 0.094,629 0.11,630 0.128,631 0.063,632 0.117,633 -0.053,634 0.081,635 -0.057,636 0.046,637 -0.042,638 0.06,639 -0.056,640 0.062,641 -0.129,642 -0.093,643 -0.143,644 -0.166,645 0.033,646 -0.142,647 -0.178,648 -0.212,649 0.015,650 -0.148,651 0.138,652 -0.126,653 -0.121,654 -0.195,655 0.144,656 -0.213,657 1.747,658 4.212,659 0.852,660 24.272,661 1.004,662 1.12,663 3.041,664 9.249,665 0.695,666 3.466,667 3.829,668 4.127,669 4.466,670 4.71,671 4.89,672 5.094,673 5.247,674 5.371,675 5.517,676 6.157,677 0.658,678 380.51,679 3.466,680 5.03,681 5.9,682 6.801,683 7.688,684 8.595,685 9.491,686 10.4,687 11.302,688 12.212,689 8.5,695 1,696 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,731 47,733 17,734 1,735 31,737 51,738 20,739 12,740 2,741 4,746 5,747 7,752 1,755 4,758 4,761 13,762 7,766 1,771 1,775 1,777 1,778 1,781 20,782 6,783 1,784 7,785 1,790 4,794 0.6,795 2,801 1,806 1,811 2,812 3,813 1,815 1,826 1,839 1,840 3,842 1,844 1,848 27,854 4,855 1,856 1,858 2,859 1,865 1,870 4.3,873 1,874 1,877 12.833,878 8.767,879 5.694,880 2.929,881 3.165,882 1.396,883 1.034,884 4.331,885 11.165,886 3.714,887 4.327,888 4.919,889 5.561,890 6.107,891 6.531,892 7.039,893 7.495,894 7.802,895 8.219,896 0.857,897 42,898 10.007,900 4.387,901 7.617,902 19.515,904 16.865,905 2.117,906 57.167,909 1,910 223.651,911 122.606,912 54.706,914 36.145,916 31.278,917 91.329,918 259.796,919 54.706,920 8.825,921 27.291,922 55.03,923 74.421,924 13.539,925 14.845,926 243.158,928 223.651,929 146.035,930 36.145,931 31.278,933 178.894,934 72.229,935 11,937 38.261,938 71.875,939 33.571,940 31.278,941 223.651,942 90.851,943 122.606,946 223.651,947 58.751,948 66.98,949 18.011,950 69.716,951 223.651,952 90.851,953 122.606,955 0.59,956 0.334,957 0.191,958 0.102,959 25,960 10,961 0.059,962 3,963 3,964 1.217,965 3.941,966 247.668,967 0.261,968 22,969 118.382,970 1,974 17.086,975 6.844,976 3.324,977 2.111,978 90.851,979 11.785,980 9.696,983 1.689,984 3.433,986 18.011,987 437.108,988 40,993 11.212,997 -0.081,999 47.207,1000 52.654,1001 0.299,1002 0.681,1003 0.83,1004 0.859,1005 0.859,1006 0.859,1007 4.977,1008 1.475,1009 5.894,1010 4.775,1011 4.511,1012 5.014,1013 2.25,1014 6.723,1015 4.397,1016 6.178,1017 1.439,1018 7.455,1019 4.392,1020 4.111,1021 4.832,1022 1.668,1023 7.6,1024 3.955,1025 7.486,1026 1.049,1027 9.11,1028 4.07,1029 6.12,1030 7.208,1031 2.986,1032 10.718,1033 5.891,1034 8.826,1035 1,1036 10.821,1037 2.412,1038 6.524,1039 7.883,1040 3.047,1041 12.428,1042 6.229,1043 10.198,1044 0.72,1045 12.568,1046 2.275,1047 8.001,1048 9.742,1049 4.056,1050 15.056,1051 7.647,1052 11.594,1053 0.539,1054 14.342,1055 1.776,1056 8.781,1057 10.835,1058 4.412,1059 17.135,1060 8.348,1061 13.008,1062 -0.017,1063 16.135,1064 1.481,1065 10.044,1066 12.484,1067 5.254,1068 19.596,1069 9.553,1070 3.209,1071 -0.347,1072 17.944,1073 -0.041,1074 11.008,1075 13.787,1076 5.75,1077 21.843,1078 10.434,1079 2.86,1080 11.052,1081 19.766,1082 -1.042,1083 12.186,1084 15.346,1085 6.502,1086 24.25,1087 11.549,1088 2.736,1089 8.993,1090 21.598,1091 4.53,1092 13.24,1093 16.753,1094 7.068,1095 26.575,1096 12.521,1097 2.474,1098 8.458,1099 23.439,1100 3.773,1101 14.387,1102 18.276,1103 7.771,1104 28.968,1105 13.6,1106 2.29,1107 7.195,1108 25.288,1109 3.19,1110 15.485,1111 19.733,1112 8.374,1113 31.33,1114 14.617,1115 1.937,1116 7.154,1117 27.144,1118 3.089,1119 16.625,1120 21.243,1121 9.051,1122 33.721,1123 15.685,1124 1.879,1125 5.638,1126 29.006,1127 2.695,1128 17.746,1129 22.726,1130 9.674,1131 36.101,1132 16.727,1133 8516,1134 13859,1135 21.383,1136 32.671,1137 47.739,1138 48.213,1139 47.784,1140 47.138,1141 47.217,1142 60.331,1143 7.432,1144 139.341,1145 44.499,1146 5.605,1147 5.533,1148 6.225,1149 5.249,1150 5.209,1151 7.53,1152 3.306,1153 18.308,1154 4.98,1155 9.993,1156 1.54,1157 1.555,1158 1.541,1159 1.521,1160 1.523,1161 1.946,1162 0.24,1163 4.495,1164 1.435,1165 4.095,1166 4.123,1167 4.318,1168 4.052,1169 7.43,1170 4.017,1171 3.902,1172 3.94,1173 3.877,1174 3.828,1175 5.055,1176 3.813,1177 3.857,1178 3.883,1179 3.805,1180 3.735,1181 4.703,1182 3.734,1183 3.527,1184 3.569,1185 3.484,1186 3.313,1187 4.661,1188 3.333,1189 3.303,1190 3.369,1191 3.312,1192 3.14,1193 4.302,1194 3.14,1195 3.135,1196 3.203,1197 3.073,1198 2.963,1199 4.008,1200 2.963,1201 3.093,1202 3.176,1203 2.89,1204 2.951,1205 3.881,1206 2.926,1207 2.854,1208 2.925,1209 2.748,1210 2.735,1211 3.674,1212 2.715,1213 0.149,1214 0.114,1215 0.217,1216 0.133,1217 0.104,1218 4.605,1219 0.146,1220 3.533,1221 0.062,1222 6.74,1223 0.357,1224 4.138,1225 0.096,1226 3.209,1227 4.53,1228 1.907,1229 11.052,1230 2.98,1231 1.946,1232 1.919,1233 2.025,1234 2.063,1235 1.255,1236 2.051,1237 1.777,1238 1.744,1239 1.888,1240 1.941,1241 1.219,1242 1.933,1243 1.604,1244 1.543,1245 1.86,1246 1.783,1247 1.107,1248 1.798,1249 1.583,1250 1.539,1251 1.73,1252 1.76,1253 0.865,1254 1.766,1255 1.439,1256 1.39,1257 1.681,1258 1.666,1259 0.715,1260 1.67,1261 1.376,1262 1.372,1263 1.386,1264 1.427,1265 0.621,1266 1.487,1267 0.971,1268 0.931,1269 1.215,1270 1.15,1271 0.496,1272 1.164,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.292,1278 1.114,1279 4.143,1281 5.493,1282 3.045,1283 7.026,1284 5.352,1285 8.647,1286 7.391,1287 10.319,1289 1.503,1295 4.053,1296 2.788,1297 5.986,1299 0.628,1300 2.363,1305 30.917,1306 78.189,1307 177.841,1308 216.701,1309 224.311,1310 224.311,1311 224.311,1312 35.809,1313 8,1314 67.35,1315 95.59,1316 28,1317 12.729,1318 4.17,1319 3.322,1320 35.715,1321 99,1322 111,1323 0.178,1324 188.532,1325 319.03,1326 451.777,1327 32906,1329 18.38,1330 0.681,1331 0.586,1332 18.734,1333 15.83,1334 13.153,1335 0.424,1336 0.325,1337 9.148,1338 12.202,1339 8.872,1340 7.258,1341 13.607,1342 10.072,1343 12.437,1344 0.276,1345 0.179,1346 12.994,1347 8.043,1348 10.339,1349 0.169,1350 0.098,1351 11.027,1352 5.992,1353 9.329,1354 0.108,1355 0.055,1356 10.113,1357 4.733,1358 7.464,1359 0.068,1360 0.029,1361 8.048,1362 3.157,1363 0.276,1364 86.653,1365 0.216,1366 25.678,1367 0.499,1368 152,1369 419.6,1370 189.391,1371 423.637,1372 589.7,1373 400,1374 182,1375 429.195,1376 218.129,1377 444.934,1378 659.23,1379 421,1380 5.359}
{0 CHEMBL596533,1 1.513,2 12.714,3 3.268,4 10.68,5 134.353,6 7.24,7 0.55,8 4.29,9 4.412,10 3.851,11 3.806,12 5.313,13 3.792,14 4.866,15 5.05,16 4.215,17 4.223,18 5.832,19 4.187,20 5.137,21 5.362,22 4.267,23 4.382,24 6.033,25 4.302,26 5.203,27 5.461,28 4.239,29 4.388,30 6.045,31 4.289,32 5.173,33 5.42,34 4.28,35 4.387,36 6.088,37 4.306,38 5.152,39 5.379,40 4.275,41 4.403,42 6.059,43 4.327,44 5.161,45 5.384,46 4.225,47 4.411,48 6.043,49 4.309,50 5.213,51 5.462,52 4.137,53 4.404,54 6.056,55 4.277,56 0.029,57 1.011,58 14.049,59 5.721,60 9.859,61 7.808,62 0.338,63 1.69,64 27.587,65 9.41,66 26.942,67 13.231,68 0.45,69 2.075,70 37.889,71 12.855,72 41.985,73 18.667,74 0.436,75 2.178,76 41.508,77 13.627,78 40.622,79 20.51,80 0.507,81 2.141,82 40.009,83 12.587,84 56.061,85 19.182,86 0.484,87 2.161,88 38.232,89 11.879,90 41.616,91 17.769,92 0.474,93 2.096,94 38.406,95 13.474,96 40.22,97 19.684,98 0.427,99 2.086,100 41.774,101 15.048,102 47.164,103 21.686,104 2,105 56,106 0.239,107 0.564,108 0.735,109 0.814,110 0.829,111 0.829,112 3.589,113 0.928,114 -5.31,115 -5.2,116 -4.86,119 41.5,121 2,125 7,127 1,142 9,143 2,144 1,146 1,147 1,149 1,160 1,161 1,172 10,174 4,175 7,180 2,183 11,186 4,187 6,192 2,195 5,198 4,199 10,204 1,207 2,211 1,212 8,215 2,220 4,223 3,224 9,232 6,236 2,237 6,240 2,245 6,249 2,250 8,253 1,258 2,263 10,268 2,271 2,275 2432,276 24.447,277 24.447,278 24.447,279 24.447,280 24.447,281 21.909,282 29.163,283 14.625,284 25.117,285 19.834,286 19.834,287 19.834,288 19.834,289 19.834,290 16.006,291 39.253,292 7.038,293 20.95,294 4.509,295 2.449,296 1.362,297 0.862,298 0.769,299 0.769,300 4.312,305 1,306 1001,307 2.55,310 77.411,311 523.009,314 140.906,318 2.041,319 26.971,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 445,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.079,341 4.19,342 3.077,343 6.33,344 3.821,345 2.87,346 3.81,347 0.86,348 9.599,349 2.748,350 3.994,351 2.948,352 6.124,353 3.724,354 2.768,355 3.457,356 0.8,357 9.006,358 2.639,359 3.928,360 2.872,361 5.637,362 3.604,363 2.649,364 3.353,365 0.172,366 7.742,367 2.538,368 3.603,369 2.553,370 5.516,371 3.322,372 2.365,373 2.996,375 7.121,376 2.246,377 3.519,378 2.416,379 5.05,380 3.168,381 2.223,382 2.605,384 6.096,385 2.093,386 3.255,387 2.336,388 5.044,389 3.026,390 2.088,391 2.345,393 6.032,394 1.952,395 2.953,396 2.119,397 4.744,398 2.652,399 1.734,400 2.139,402 4.819,403 1.588,404 2.924,405 1.579,406 4.326,407 2.419,408 1.471,409 2.042,411 4.039,412 1.406,413 2.817,414 1.532,415 4.082,416 2.411,417 1.427,418 1.91,420 3.225,421 1.385,422 2.651,423 1.487,424 3.751,425 2.161,426 1.257,427 1.716,428 2.992,429 1.144,430 2.5,431 1.256,432 3.587,433 2.125,434 1.175,435 1.5,436 2.887,437 1.098,438 2.489,439 1.194,440 3.476,441 2,442 1.038,443 1.484,445 2.527,446 1,447 2.381,448 1.077,449 3.414,450 1.984,451 1,452 1.369,454 2.275,455 0.983,456 2.003,457 1.06,458 3.414,459 1.979,460 1,461 1,463 2.136,464 0.973,465 16.567,466 0.473,467 0.688,468 0.02,469 45.5,470 1.3,471 21,472 0.6,473 24.5,474 0.7,475 31.993,476 0.914,477 37.433,478 0.576,479 34.899,480 0.997,481 8.781,482 0.251,483 8.462,484 0.242,485 0.02,487 0.314,493 0.928,494 1.505,495 0.796,496 1.163,497 0.864,498 0.995,499 1.185,500 1.078,501 0.977,502 0.949,503 0.732,504 0.931,505 0.992,506 1.126,507 1.001,508 1.025,509 0.826,510 1.017,511 0.763,512 1.029,513 0.906,514 0.949,515 0.749,516 0.937,517 0.847,518 1.059,519 0.918,520 0.895,521 0.818,522 0.898,523 1.086,524 1.035,525 1.137,526 0.985,527 0.897,528 1.031,529 0.794,530 1.133,531 1.105,532 1.161,533 0.776,534 1.165,535 0.833,536 0.955,537 1.048,538 1.095,539 0.837,540 1.097,541 5.5,542 0.155,543 3.333,544 1.722,545 1.676,546 1.219,547 0.893,548 0.52,549 0.32,550 0.246,551 19267,552 44255,553 2.227,554 46.2,556 24,558 1,559 1,562 4,564 1.771,565 2.165,566 3.583,567 -0.373,573 98.355,574 1.513,575 3.573,576 4.66,577 5.161,578 5.253,579 5.253,580 3.057,581 4.786,582 5.094,583 3.798,584 2259.85,585 8.968,586 34759.8,591 391.454,592 1.069,593 5.093,594 0.138,595 0.005,596 0.06,597 0.03,598 0.03,599 0.021,600 0.016,601 0.01,602 0.007,603 0.006,604 0.322,605 0.17,606 0.75,607 0.293,608 188.159,609 -0.029,610 -0.306,611 0.082,612 -0.1,613 -0.019,614 -0.014,615 -0.062,616 0.071,617 -0.026,618 0.027,619 0.033,620 0.006,621 -0.005,622 -0.076,623 -0.032,624 -0.048,625 0.031,626 -0.05,627 0.043,628 -0.007,629 0.071,630 0.011,631 0.021,632 0.038,633 0.045,634 -0.007,635 0.06,636 0.055,637 0.042,638 0.062,639 -0.122,640 0.083,641 -0.171,642 -0.048,643 -0.134,644 -0.097,645 0.074,646 -0.08,647 -0.154,648 -0.171,649 -0.022,650 -0.187,651 0.019,652 0.021,653 -0.08,654 -0.095,655 0.04,656 -0.096,657 1.46,658 4.05,659 0.943,660 42.183,661 0.998,662 1.129,663 4.083,664 16.672,665 0.663,666 3.714,667 4.043,668 4.357,669 4.673,670 4.963,671 5.1,672 5.352,673 5.565,674 5.727,675 5.872,676 7.52,677 0.629,678 470.63,679 3.714,680 5.263,681 6.129,682 7.017,683 7.902,684 8.8,685 9.697,686 10.602,687 11.506,688 12.417,689 9.2,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,728 1,731 65,733 22,734 2,735 40,737 70,738 27,739 17,740 3,741 9,746 6,747 7,755 3,758 3,761 17,762 10,781 30,782 7,783 1,784 8,787 1,790 6,794 0.833,795 2,806 1,811 1,812 5,815 1,836 1,839 1,840 5,848 35,853 1,854 9,856 1,858 1,859 2,870 3.1,872 1,874 1,877 16.167,878 11.483,879 7.583,880 4.079,881 3.737,882 1.43,883 1.004,884 6.383,885 12.421,886 3.951,887 4.546,888 5.161,889 5.788,890 6.359,891 6.729,892 7.242,893 7.714,894 8.066,895 8.441,896 1,897 57,898 12.982,900 5.606,901 7.529,902 25.504,904 21.728,905 2.029,906 71,910 341.362,911 133.574,912 58.504,914 53.683,917 133.574,918 395.045,919 58.504,921 24.782,922 85.286,923 126.145,924 18.991,925 2.328,926 329.591,928 341.362,929 192.078,930 53.683,933 296.605,934 89.768,935 11,937 42.284,938 97.11,939 50.357,941 341.362,942 112.188,943 133.574,946 341.362,947 39.669,948 102.053,950 104.04,951 341.362,952 112.188,953 133.574,955 0.578,956 0.338,957 0.191,958 0.109,959 29,960 11,961 0.071,962 5,963 1,964 1.061,965 4.634,966 353.02,967 0.061,968 33,969 167.525,974 22.475,975 9.94,976 4.766,977 1.698,978 110.288,979 19.756,980 14.689,984 3.818,985 2.243,986 42.683,987 587.123,988 51,999 64.869,1000 73.391,1001 0.251,1002 0.593,1003 0.774,1004 0.857,1005 0.872,1006 0.872,1007 5.196,1008 1.734,1009 6.098,1010 6.032,1011 4.727,1012 5.234,1013 1.598,1014 6.915,1015 4.621,1016 6.377,1017 1.471,1018 7.649,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.803,1024 4.031,1025 7.673,1026 1.427,1027 9.303,1028 4.039,1029 6.315,1030 7.422,1031 1.256,1032 10.951,1033 6.103,1034 9.006,1035 1.257,1036 11.02,1037 3.225,1038 6.661,1039 8.048,1040 0.581,1041 12.724,1042 6.375,1043 10.377,1044 1.175,1045 12.781,1046 2.992,1047 8.197,1048 9.963,1049 1.023,1050 15.378,1051 7.873,1052 11.776,1053 1.038,1054 14.571,1055 2.887,1056 8.956,1057 11.04,1058 0.515,1059 17.521,1060 8.556,1061 13.198,1062 1,1063 16.384,1064 2.527,1065 10.254,1066 12.72,1067 0.84,1068 20.017,1069 9.81,1070 3.289,1071 1,1072 18.215,1073 2.275,1074 11.219,1075 14.025,1076 0.441,1077 22.323,1078 10.698,1079 2.87,1080 11.617,1081 20.059,1082 2.136,1083 12.421,1084 15.607,1085 0.689,1086 24.771,1087 11.848,1088 2.768,1089 9.599,1090 21.914,1091 4.638,1092 13.488,1093 17.027,1094 0.373,1095 27.148,1096 12.84,1097 2.649,1098 9.006,1099 23.778,1100 3.81,1101 14.657,1102 18.57,1103 0.564,1104 29.585,1105 13.95,1106 2.365,1107 7.742,1108 25.65,1109 3.457,1110 15.775,1111 20.046,1112 0.314,1113 31.997,1114 14.993,1115 2.223,1116 7.121,1117 27.529,1118 3.353,1119 16.937,1120 21.577,1121 0.461,1122 34.435,1123 16.091,1124 2.088,1125 6.096,1126 29.414,1127 2.996,1128 18.081,1129 23.081,1130 0.264,1131 36.864,1132 17.163,1133 17525,1134 26746,1135 28.027,1136 43.08,1137 60.456,1138 60.47,1139 60.737,1140 60.313,1141 60.236,1142 76.671,1143 5.498,1144 172.635,1145 57.032,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.079,1155 8.124,1156 1.511,1157 1.512,1158 1.518,1159 1.508,1160 1.506,1161 1.917,1162 0.137,1163 4.316,1164 1.426,1165 4.14,1166 4.193,1167 4.115,1168 3.977,1169 6.471,1170 4.003,1171 3.93,1172 3.971,1173 3.853,1174 3.853,1175 5.137,1176 3.849,1177 3.876,1178 3.906,1179 3.819,1180 3.788,1181 4.755,1182 3.793,1183 3.78,1184 3.835,1185 3.673,1186 3.618,1187 4.66,1188 3.622,1189 3.688,1190 3.747,1191 3.573,1192 3.48,1193 4.615,1194 3.496,1195 3.305,1196 3.372,1197 3.237,1198 3.103,1199 4.403,1200 3.122,1201 3.143,1202 3.212,1203 3.024,1204 2.983,1205 4.262,1206 2.987,1207 3.111,1208 3.206,1209 2.87,1210 2.941,1211 4.019,1212 2.91,1213 0.117,1214 0.085,1215 0.173,1216 0.106,1217 0.082,1218 4.694,1219 0.116,1220 3.38,1221 0.023,1222 6.903,1223 0.29,1224 4.225,1225 0.077,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.079,1231 1.95,1232 1.916,1233 2.085,1234 2.106,1235 1.432,1236 2.095,1237 1.921,1238 1.89,1239 2.019,1240 2.043,1241 1.213,1242 2.04,1243 1.827,1244 1.781,1245 1.987,1246 1.952,1247 1.142,1248 1.966,1249 1.754,1250 1.704,1251 1.925,1252 1.944,1253 1.078,1254 1.943,1255 1.563,1256 1.513,1257 1.677,1258 1.77,1259 0.836,1260 1.751,1261 1.349,1262 1.274,1263 1.528,1264 1.613,1265 0.825,1266 1.588,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.703,1278 1.429,1279 4.394,1281 5.72,1282 2.398,1283 7.249,1284 4.727,1285 8.867,1286 6.862,1287 10.534,1294 10.05,1295 8.074,1297 5.568,1299 0.344,1300 4.761,1305 40.88,1306 98.355,1307 232.24,1308 302.925,1309 335.454,1310 341.454,1311 341.454,1312 48.524,1313 8.684,1314 79.54,1315 79.54,1316 35,1317 12.933,1318 4.524,1319 3.585,1320 46.924,1321 152,1322 189,1323 0.145,1324 244.888,1325 415.08,1326 589.286,1327 77214,1329 23.614,1330 0.675,1331 0.564,1332 23.614,1333 19.754,1334 17.242,1335 0.431,1336 0.309,1337 12.188,1338 16.557,1339 11.991,1340 9.82,1341 17.242,1342 12.374,1343 15.415,1344 0.275,1345 0.167,1346 15.415,1347 9.338,1348 13.42,1349 0.174,1350 0.091,1351 13.42,1352 7.017,1353 11.712,1354 0.11,1355 0.048,1356 11.712,1357 5.136,1358 9.966,1359 0.07,1360 0.026,1361 9.966,1362 3.723,1363 0.227,1364 108.027,1365 0.189,1366 32.103,1367 0.402,1368 192,1369 499.756,1370 210.276,1371 483.335,1372 678.51,1373 458,1374 229,1375 512.216,1376 249.694,1377 517.836,1378 767.34,1379 489,1380 7.111}
{0 CHEMBL596597,1 1.657,2 13.5,3 1.85,4 3.422,5 125.992,6 7.709,7 0.474,8 4.224,9 4.349,10 3.826,11 3.667,12 5.317,13 3.687,14 4.78,15 4.961,16 4.161,17 4.041,18 5.882,19 4.037,20 4.991,21 5.209,22 4.169,23 4.173,24 5.984,25 4.132,26 4.979,27 5.224,28 4.127,29 4.125,30 6.016,31 4.075,32 4.941,33 5.172,34 4.17,35 4.092,36 6.064,37 4.073,38 4.863,39 5.055,40 4.158,41 4.138,42 5.944,43 4.114,44 4.962,45 5.159,46 4.132,47 4.275,48 5.919,49 4.197,50 5.159,51 5.402,52 4.051,53 4.335,54 6.039,55 4.186,56 0.097,57 0.968,58 11.919,59 4.606,60 7.92,61 6.315,62 0.661,63 1.485,64 24.661,65 7.736,66 41.267,67 10.557,68 0.68,69 1.722,70 32.34,71 9.258,72 44.434,73 13.816,74 0.564,75 1.706,76 32.239,77 8.998,78 49.969,79 14.058,80 0.74,81 1.619,82 31.379,83 7.992,84 67.664,85 12.463,86 0.576,87 1.628,88 26.487,89 7.959,90 45.107,91 11.374,92 0.554,93 1.76,94 28.856,95 10.535,96 32.525,97 14.92,98 0.508,99 1.852,100 38.635,101 15.636,102 56.205,103 22.146,104 2,105 51,106 0.267,107 0.571,108 0.673,109 0.704,110 0.71,111 0.715,112 3.56,113 0.888,114 -3.38,115 -3.36,116 -3.21,119 38.3,125 8,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 4,174 7,175 4,178 2,179 1,180 4,183 5,186 2,187 4,192 2,195 2,198 3,199 11,202 1,204 5,211 4,212 8,217 2,223 1,224 7,227 3,229 1,232 4,236 4,237 2,245 4,249 2,250 6,253 5,258 2,263 6,275 2300,276 23.654,277 23.654,278 23.654,279 23.654,280 23.654,281 21.44,282 32.632,283 14.459,284 24.531,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 15.483,291 50.554,292 6.994,293 20.242,294 4.25,295 2.358,296 1.725,297 1.533,298 1.5,299 1.467,300 4.274,304 1,305 1,306 1016,307 3,311 600.171,318 2.147,319 32.552,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 75,331 459,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.074,342 3.246,343 6.024,344 3.718,345 2.759,346 3.601,347 0.86,348 8.666,349 2.623,350 3.954,351 3.013,352 6.016,353 3.592,354 2.684,355 3.471,356 0.86,357 8.629,358 2.52,359 3.795,360 2.811,361 5.567,362 3.591,363 2.631,364 3.056,365 0.8,366 7.631,367 2.432,368 3.726,369 2.552,370 5.323,371 3.36,372 2.397,373 2.972,374 0.8,375 6.923,376 2.303,377 3.395,378 2.446,379 4.732,380 2.966,381 2,382 2.626,383 0.247,384 5.246,385 1.931,386 3.089,387 2.297,388 4.612,389 2.806,390 1.871,391 2.18,393 4.907,394 1.73,395 2.854,396 2.25,397 4.283,398 2.577,399 1.697,400 1.987,402 4.065,403 1.488,404 2.838,405 1.716,406 4.187,407 2.345,408 1.422,409 1.879,411 3.679,412 1.309,413 2.729,414 1.519,415 3.569,416 2.268,417 1.34,418 1.802,420 2.985,421 1.235,422 2.5,423 1.288,424 3.508,425 2,426 1.085,427 1.5,428 2.668,429 1,430 2.5,431 1.273,432 3.472,433 1.984,434 1,435 1.5,436 2.509,437 0.983,438 2.231,439 1.256,440 3.414,441 1.964,442 1,443 1.213,445 2.275,446 0.948,447 2.166,448 1.256,449 3.247,450 1.952,451 1,452 1.132,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.7,466 0.462,467 0.602,468 0.018,469 46.25,470 1.36,471 21.5,472 0.632,473 24.75,474 0.728,475 26.987,476 0.794,477 37.1,478 0.618,479 36.16,480 1.064,481 9.269,482 0.273,483 7.473,484 0.22,485 0.021,487 0.274,493 0.894,494 1.679,495 0.739,496 1.276,497 0.638,498 1.016,499 1.13,500 0.95,501 0.97,502 0.916,503 0.712,504 0.921,505 1.153,506 1.176,507 1.03,508 0.963,509 0.994,510 0.97,511 0.846,512 1.097,513 0.945,514 0.994,515 0.917,516 0.967,517 1.095,518 1.009,519 0.922,520 0.784,521 1.464,522 0.793,523 1.161,524 1.032,525 1.133,526 0.972,527 1.272,528 1.016,529 0.723,530 1.031,531 1.174,532 1.196,533 0.576,534 1.249,535 0.358,536 1.045,537 0.955,538 1.407,539 0.365,540 1.337,541 5.5,542 0.14,543 2.667,544 1.375,545 1.209,546 1.431,547 0.647,548 0.179,549 0.261,550 0.254,551 18600,552 50924,553 2.182,554 43.3,556 22,558 2,559 2,564 1.76,565 2.125,566 3.672,567 0.264,569 1,573 99.405,574 1.657,575 3.548,576 4.182,577 4.374,578 4.407,579 4.44,580 3.072,581 3.922,582 5.054,583 3.893,584 2184.21,585 8.869,586 34322.1,591 354.413,592 1.012,593 5.053,594 0.145,595 0.005,596 0.052,597 0.027,598 0.025,599 0.028,600 0.013,601 0.004,602 0.006,603 0.008,604 0.313,605 0.33,606 0.63,607 0.299,608 183.771,609 -0.078,610 -0.423,611 0.074,612 -0.193,613 -0.021,614 -0.052,615 0.019,616 0.179,617 -0.034,618 0.057,619 0.074,620 -0.005,621 -0.148,622 -0.14,623 -0.067,624 0.011,625 -0.098,626 -0.012,627 -0.04,628 -0.052,629 0.018,630 -0.049,631 0.003,632 -0.005,633 -0.053,634 0.036,635 0.064,636 0.141,637 -0.06,638 0.137,639 -0.194,640 0.124,641 -0.221,642 -0.004,643 -0.145,644 -0.093,645 -0.017,646 0.09,647 -0.298,648 -0.143,649 -0.067,650 -0.249,651 0.245,652 -0.121,653 -0.021,654 -0.298,655 0.19,656 -0.235,657 1.997,658 5.269,659 0.882,660 41.785,661 1.012,662 1.139,663 2.145,664 4.603,665 0.654,666 3.664,667 3.951,668 4.205,669 4.466,670 4.727,671 4.771,672 4.977,673 5.118,674 5.242,675 5.361,676 8.018,677 0.634,678 462.57,679 3.664,680 5.187,681 6.023,682 6.882,683 7.734,684 8.601,685 9.461,686 10.332,687 11.198,688 12.072,689 13.3,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 60,733 19,734 1,735 38,737 64,738 23,739 14,740 2,741 4,746 5,747 5,751 1,761 15,762 8,766 1,771 1,775 1,778 1,781 26,782 11,783 2,784 11,790 8,794 1,795 3,805 1,812 5,839 2,840 5,848 34,854 8,855 2,856 2,859 2,870 5,873 1,874 2,877 16,878 10.617,879 7.5,880 3.565,881 3.166,882 1.393,883 0.994,884 7.219,885 11.217,886 3.892,887 4.413,888 4.925,889 5.482,890 6.033,891 6.235,892 6.677,893 7.05,894 7.358,895 7.715,896 0.889,897 51,898 12.559,900 5.296,901 7.696,902 24.047,904 19.456,905 2.196,906 74.667,910 282.506,911 120.846,912 109.412,914 47.145,917 120.846,918 329.651,919 109.412,921 62.814,922 56.857,923 137.829,924 35.37,925 8.074,926 258.964,928 282.506,929 230.258,930 47.145,933 284.834,934 25.145,935 22,937 84.707,938 76.081,939 67.142,941 282.506,942 156.557,943 120.846,946 282.506,947 45.893,948 81.201,949 36.022,950 114.287,951 282.506,952 156.557,953 120.846,955 0.568,956 0.324,957 0.18,958 0.102,959 24,960 9,961 0.078,962 5,964 1,965 4.643,966 317.081,968 30,969 140.974,974 22.627,975 10.847,976 5.866,978 156.557,979 14.128,980 18.199,984 4.048,986 36.022,987 559.909,988 48,993 12.269,997 -0.33,999 60.749,1000 68.351,1001 0.28,1002 0.601,1003 0.708,1004 0.74,1005 0.746,1006 0.752,1007 5.115,1008 1.697,1009 5.969,1010 4.907,1011 4.635,1012 5.1,1013 2.368,1014 6.72,1015 4.503,1016 6.267,1017 1.422,1018 7.479,1019 4.065,1020 4.007,1021 4.663,1022 1.404,1023 7.455,1024 3.828,1025 7.534,1026 1.34,1027 9.089,1028 3.679,1029 6.163,1030 7.159,1031 2.66,1032 10.559,1033 5.906,1034 8.833,1035 1.085,1036 10.759,1037 2.985,1038 6.382,1039 7.543,1040 2.382,1041 12.147,1042 6.071,1043 10.165,1044 1,1045 12.469,1046 2.668,1047 7.955,1048 9.503,1049 3.324,1050 14.72,1051 7.572,1052 11.52,1053 1,1054 14.207,1055 2.509,1056 8.59,1057 10.294,1058 3.421,1059 16.668,1060 8.144,1061 12.892,1062 1,1063 15.964,1064 2.275,1065 9.895,1066 11.996,1067 4.179,1068 19.043,1069 9.382,1070 3.07,1071 1,1072 17.736,1073 2.136,1074 10.746,1075 13.019,1076 4.467,1077 21.155,1078 10.164,1079 2.759,1080 9.93,1081 19.517,1082 2.136,1083 11.925,1084 14.581,1085 5.118,1086 23.456,1087 11.277,1088 2.684,1089 8.666,1090 21.307,1091 4.05,1092 12.89,1093 15.743,1094 5.504,1095 25.647,1096 12.169,1097 2.631,1098 8.629,1099 23.104,1100 3.601,1101 14.012,1102 17.226,1103 6.093,1104 27.922,1105 13.226,1106 2.397,1107 7.631,1108 24.906,1109 3.471,1110 15.037,1111 18.474,1112 6.531,1113 30.152,1114 14.177,1115 2,1116 6.923,1117 26.712,1118 3.056,1119 16.138,1120 19.913,1121 7.084,1122 32.421,1123 15.21,1124 1.871,1125 5.246,1126 28.522,1127 2.972,1128 17.196,1129 21.215,1130 7.551,1131 34.674,1132 16.194,1133 17184,1134 28600,1135 26.523,1136 39.262,1137 56.222,1138 57.475,1139 56.235,1140 56.074,1141 56.08,1142 70.139,1143 10.446,1144 153.484,1145 52.397,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 7.824,1156 1.48,1157 1.512,1158 1.48,1159 1.476,1160 1.476,1161 1.846,1162 0.275,1163 4.039,1164 1.379,1165 4.011,1166 4.058,1167 3.971,1168 3.89,1169 7.431,1170 3.9,1171 3.872,1172 3.922,1173 3.819,1174 3.741,1175 5.077,1176 3.751,1177 3.826,1178 3.871,1179 3.756,1180 3.637,1181 4.908,1182 3.665,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.701,1188 3.533,1189 3.553,1190 3.608,1191 3.474,1192 3.317,1193 4.616,1194 3.35,1195 3.375,1196 3.422,1197 3.322,1198 3.074,1199 4.591,1200 3.134,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.095,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.022,1212 2.91,1213 0.116,1214 0.094,1215 0.168,1216 0.105,1217 0.081,1218 4.394,1219 0.107,1220 3.562,1221 0.044,1222 6.383,1223 0.261,1224 3.994,1225 0.075,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.931,1232 1.9,1233 2.02,1234 2.081,1235 1.208,1236 2.057,1237 1.821,1238 1.78,1239 1.937,1240 1.994,1241 1.187,1242 1.979,1243 1.756,1244 1.698,1245 1.925,1246 1.941,1247 1.099,1248 1.942,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 0.948,1254 1.926,1255 1.443,1256 1.389,1257 1.534,1258 1.705,1259 0.825,1260 1.665,1261 1.215,1262 1.167,1263 1.513,1264 1.537,1265 0.825,1266 1.486,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.513,1272 1.429,1273 1.153,1274 1.064,1275 1.34,1276 1.376,1277 0.294,1278 1.429,1279 4.344,1281 5.638,1283 7.133,1285 8.712,1287 10.333,1295 5.545,1296 5.597,1297 10.965,1300 4.246,1305 38.057,1306 99.405,1307 212.904,1308 250.904,1309 262.413,1310 264.413,1311 266.413,1312 47.985,1313 8.052,1314 117.63,1315 117.63,1316 30,1317 12.614,1318 4.322,1319 3.459,1320 50.021,1321 160,1322 182,1323 0.147,1324 231.496,1325 399.93,1326 556.611,1327 37484,1329 23.167,1330 0.681,1331 0.55,1332 23.167,1333 18.684,1334 16.742,1335 0.441,1336 0.296,1337 10.999,1338 15.804,1339 10.871,1340 8.896,1341 16.742,1342 11.244,1343 14.645,1344 0.287,1345 0.154,1346 14.645,1347 7.85,1348 12.204,1349 0.185,1350 0.084,1351 12.204,1352 5.539,1353 10.374,1354 0.121,1355 0.043,1356 10.374,1357 3.724,1358 8.673,1359 0.077,1360 0.022,1361 8.673,1362 2.501,1363 0.234,1364 106.722,1365 0.194,1366 31.809,1367 0.392,1368 178,1369 567.743,1370 203.012,1371 534.995,1372 733.88,1373 506,1374 206,1375 537.613,1376 230.85,1377 537.162,1378 789.06,1379 506,1380 8.523}
{0 CHEMBL596790,1 1.636,2 11.833,3 1.773,4 3.142,5 113.12,6 7.255,7 0.364,8 4.158,9 4.291,10 3.704,11 3.563,12 5.197,13 3.575,14 4.738,15 4.938,16 4.035,17 3.936,18 5.789,19 3.92,20 4.942,21 5.177,22 4.055,23 4.074,24 5.89,25 4.024,26 4.916,27 5.165,28 4.024,29 4.038,30 5.937,31 3.985,32 4.877,33 5.114,34 4.053,35 4.018,36 5.955,37 3.986,38 4.8,39 5.002,40 4.041,41 4.068,42 5.783,43 4.028,44 4.929,45 5.138,46 4.012,47 4.191,48 5.846,49 4.097,50 5.114,51 5.374,52 3.906,53 4.229,54 5.943,55 4.062,56 0.074,57 0.882,58 12.617,59 4.308,60 6.536,61 6.507,62 0.653,63 1.327,64 25.79,65 7.315,66 40.781,67 10.863,68 0.646,69 1.534,70 32.57,71 8.349,72 42.399,73 13.756,74 0.532,75 1.523,76 31.423,77 7.794,78 50.63,79 13.306,80 0.705,81 1.466,82 30.497,83 7.137,84 64.483,85 12.238,86 0.418,87 1.499,88 26.382,89 7.626,90 29.889,91 12.03,92 0.525,93 1.616,94 30.127,95 10.125,96 32.721,97 15.314,98 0.485,99 1.628,100 38.344,101 14.484,102 52.826,103 21.084,104 9,105 44,106 0.27,107 0.555,108 0.678,109 0.711,110 0.711,111 0.711,112 3.441,113 0.936,114 -3.67,115 -3.64,116 -3.46,119 35.1,120 1,125 9,142 4,143 1,144 1,149 1,150 2,159 1,172 4,174 7,175 2,178 2,179 1,180 3,183 4,186 2,187 4,192 2,195 2,198 3,199 10,204 4,211 4,212 8,217 2,224 7,227 2,229 1,232 2,236 4,237 2,245 2,249 2,250 4,253 5,258 1,263 4,275 1648,276 20.8,277 20.8,278 20.8,279 20.8,280 20.8,281 19.338,282 31.051,283 12.756,284 21.647,285 16.329,286 16.329,287 16.329,288 16.329,289 16.329,290 13.966,291 45.554,292 6.063,293 17.621,294 4.197,295 2.467,296 1.719,297 1.522,298 1.522,299 1.522,300 4.142,304 1,305 1,306 767,307 3.082,311 403.324,318 1.867,319 29.249,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 66.5,331 355,332 4.394,333 3.545,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.064,342 3.246,343 6.024,344 3.707,345 2.748,346 3.597,347 0.86,348 8.665,349 2.611,350 3.795,351 3.013,352 6.016,353 3.591,354 2.684,355 3.075,356 0.86,357 8.629,358 2.432,359 3.786,360 2.809,361 5.47,362 3.477,363 2.519,364 2.972,365 0.8,366 7.338,367 2.403,368 3.455,369 2.462,370 4.832,371 3.073,372 2.101,373 2.67,374 0.8,375 5.529,376 2.032,377 3.09,378 2.299,379 4.665,380 2.82,381 1.901,382 2.176,383 0.247,384 5.025,385 1.738,386 2.838,387 2.25,388 4.283,389 2.577,390 1.697,391 1.879,393 4.065,394 1.488,395 2.737,396 1.716,397 4.191,398 2.301,399 1.385,400 1.814,402 3.689,403 1.263,404 2.5,405 1.511,406 3.508,407 2,408 1.102,409 1.5,411 2.67,412 1,413 2.231,414 1.288,415 3.472,416 2,417 1,418 1.214,420 2.509,421 0.986,422 2.166,423 1.273,424 3.414,425 1.952,426 1,427 1.132,428 2.275,429 0.946,430 2.121,431 1.256,432 3.247,433 1.952,434 1,435 1.074,436 2.136,437 0.946,438 2,439 1.256,440 3.247,441 1.947,442 1,443 1,445 2.136,446 0.936,447 2,448 1,449 3.117,450 1.869,451 1,452 1,454 1.683,455 0.866,456 1.326,457 0.552,458 2.688,459 0.967,465 13.8,466 0.46,467 0.533,468 0.018,469 36.75,470 1.225,471 15,472 0.5,473 21.75,474 0.725,475 25.75,476 0.858,477 34.2,478 0.6,479 28.38,480 0.946,481 7.314,482 0.244,483 7.41,484 0.247,485 0.06,487 0.275,493 0.894,494 1.808,495 0.797,496 1.392,497 0.648,498 1.11,499 1.111,500 0.929,501 0.967,502 0.918,503 0.684,504 0.924,505 1.127,506 1.155,507 0.973,508 0.911,509 0.975,510 0.91,511 0.937,512 1.133,513 0.969,514 0.967,515 1.116,516 0.949,517 1.084,518 1.01,519 0.966,520 0.777,521 1.449,522 0.817,523 1.026,524 1.186,525 1.115,526 1.091,527 0.911,528 1.092,529 0.705,530 1.121,531 1.189,532 1.276,533 0.569,534 1.307,535 0.345,536 1.048,537 0.913,538 1.392,539 0.345,540 1.301,541 5,542 0.149,543 2.667,544 1.188,545 1.058,546 1.312,547 0.546,548 0.222,549 0.249,550 0.192,551 11825,552 31334,553 2.128,554 47.4,556 22,559 2,561 3,564 1.732,565 2.045,566 3.484,567 0.309,568 1,569 1,573 93.248,574 1.636,575 3.366,576 4.114,577 4.311,578 4.311,579 4.311,580 2.944,581 3.707,582 4.87,583 3.678,584 1600.13,585 8.522,586 22362.5,588 1,590 1,591 332.475,592 1.159,593 4.862,594 0.152,595 0.007,596 0.061,597 0.026,598 0.025,599 0.029,600 0.012,601 0.005,602 0.007,603 0.007,604 0.331,605 0.33,606 0.88,607 1.078,608 154.185,609 -0.066,610 -0.471,611 0.077,612 -0.221,613 -0.025,614 -0.066,615 0.052,616 0.212,617 0.011,618 0.076,619 0.104,620 0.026,621 -0.119,622 -0.112,623 0.005,624 0.071,625 -0.074,626 0.06,627 -0.092,628 -0.051,629 -0.006,630 -0.016,631 -0.063,632 0.009,633 -0.064,634 0.078,635 0.018,636 0.162,637 -0.113,638 0.12,639 -0.19,640 0.033,641 -0.195,642 -0.055,643 -0.141,644 -0.108,645 -0.002,646 0.049,647 -0.292,648 -0.183,649 -0.067,650 -0.274,651 0.25,652 -0.102,653 0.001,654 -0.28,655 0.19,656 -0.209,657 1.894,658 4.72,659 0.8,660 33.12,661 1.009,662 1.145,663 2.439,664 5.951,665 0.632,666 3.526,667 3.807,668 4.06,669 4.317,670 4.585,671 4.663,672 4.875,673 5.017,674 5.142,675 5.231,676 6.94,677 0.606,678 413.54,679 3.526,680 5.043,681 5.878,682 6.737,683 7.591,684 8.461,685 9.326,686 10.201,687 11.072,688 11.951,689 12.3,695 2,696 2,699 3,702 1,704 4,705 3,709 5,711 12,726 2,731 57,733 13,734 1,735 33,737 60,738 20,739 9,740 2,741 4,746 4,747 4,751 1,752 1,761 10,762 10,766 1,771 1,775 1,778 1,781 27,782 10,783 2,784 10,790 7,794 1,795 3,812 4,839 2,840 4,844 1,848 30,854 9,855 2,856 2,859 2,870 5.3,873 1,874 2,877 14.667,878 10.333,879 6.75,880 3.606,881 2.317,882 1.305,883 0.968,884 7.074,885 9.908,886 3.714,887 4.205,888 4.71,889 5.261,890 5.826,891 6.119,892 6.579,893 6.95,894 7.264,895 7.579,896 0.875,897 45,898 11.105,900 4.616,901 7.683,902 21.39,904 17.148,905 2.183,906 65.5,910 294.278,911 91.973,912 92.627,914 47.145,917 91.973,918 341.422,919 92.627,920 8.825,921 64.92,922 37.905,923 97.501,924 14.519,925 8.074,926 294.278,928 294.278,929 184.599,930 47.145,933 261.292,934 60.458,935 22,937 77.543,938 54.372,939 50.357,941 294.278,942 139.771,943 91.973,946 294.278,947 45.242,948 52.979,949 36.022,950 97.501,951 294.278,952 139.771,953 91.973,955 0.563,956 0.322,957 0.178,958 0.099,959 20,960 8,961 0.083,962 5,964 1,965 4.195,966 265.46,968 24,969 113.697,974 20.941,975 10.134,976 5.447,978 139.771,979 7.501,980 14.202,984 3.504,986 36.022,987 526.021,988 40,993 11.72,997 -0.227,999 57.531,1000 65.268,1001 0.28,1002 0.577,1003 0.705,1004 0.739,1005 0.739,1006 0.739,1007 4.942,1008 1.385,1009 5.826,1010 4.065,1011 4.489,1012 4.89,1013 2.368,1014 6.586,1015 4.347,1016 6.083,1017 1.102,1018 7.344,1019 3.689,1020 3.892,1021 4.527,1022 1.404,1023 7.357,1024 3.703,1025 7.352,1026 1,1027 8.963,1028 2.67,1029 6.023,1030 6.933,1031 2.66,1032 10.456,1033 5.747,1034 8.654,1035 1,1036 10.643,1037 2.509,1038 6.275,1039 7.406,1040 2.382,1041 12.072,1042 5.947,1043 9.992,1044 1,1045 12.363,1046 2.275,1047 7.829,1048 9.288,1049 3.324,1050 14.647,1051 7.421,1052 11.352,1053 1,1054 14.109,1055 2.136,1056 8.491,1057 10.161,1058 3.421,1059 16.614,1060 8.023,1061 12.731,1062 1,1063 15.875,1064 2.136,1065 9.785,1066 11.808,1067 4.179,1068 18.994,1069 9.243,1070 3.07,1072 17.654,1073 1.683,1074 10.657,1075 12.896,1076 4.467,1077 21.119,1078 10.048,1079 2.748,1080 9.93,1081 19.443,1083 11.831,1084 14.424,1085 5.118,1086 23.424,1087 11.152,1088 2.684,1089 8.665,1090 21.24,1091 4.05,1092 12.811,1093 15.636,1094 5.504,1095 25.622,1096 12.062,1097 2.519,1098 8.629,1099 23.043,1100 3.597,1101 13.934,1102 17.099,1103 6.093,1104 27.901,1105 13.115,1106 2.101,1107 7.338,1108 24.851,1109 3.075,1110 14.97,1111 18.385,1112 6.531,1113 30.136,1114 14.079,1115 1.901,1116 5.529,1117 26.662,1118 2.972,1119 16.074,1120 19.813,1121 7.084,1122 32.408,1123 15.113,1124 1.697,1125 5.025,1126 28.477,1127 2.67,1128 17.139,1129 21.142,1130 7.551,1131 34.663,1132 16.107,1133 11340,1134 18586,1135 22.652,1136 36.017,1137 48.64,1138 50.005,1139 49.116,1140 48.452,1141 48.414,1142 58.308,1143 10.446,1144 132.558,1145 45.014,1146 5.394,1147 5.545,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 10.763,1156 1.474,1157 1.515,1158 1.488,1159 1.468,1160 1.467,1161 1.767,1162 0.317,1163 4.017,1164 1.364,1165 4.006,1166 4.054,1167 3.967,1168 3.887,1169 7.431,1170 3.896,1171 3.835,1172 3.885,1173 3.77,1174 3.637,1175 5.076,1176 3.666,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.703,1182 3.533,1183 3.634,1184 3.704,1185 3.535,1186 3.39,1187 4.616,1188 3.411,1189 3.519,1190 3.58,1191 3.418,1192 3.294,1193 4.592,1194 3.316,1195 3.24,1196 3.303,1197 3.092,1198 2.98,1199 4.226,1200 3.009,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.022,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.992,1212 2.91,1213 0.133,1214 0.107,1215 0.193,1216 0.121,1217 0.093,1218 4.394,1219 0.123,1220 3.545,1221 0.05,1222 6.383,1223 0.301,1224 3.994,1225 0.087,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.93,1232 1.899,1233 2.02,1234 2.08,1235 1.208,1236 2.057,1237 1.758,1238 1.7,1239 1.931,1240 1.971,1241 1.187,1242 1.963,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.1,1248 1.926,1249 1.56,1250 1.482,1251 1.843,1252 1.822,1253 0.988,1254 1.826,1255 1.432,1256 1.375,1257 1.532,1258 1.685,1259 0.825,1260 1.655,1261 1.153,1262 1.083,1263 1.513,1264 1.449,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.512,1272 1.429,1273 1.14,1274 1.064,1275 1.327,1276 1.376,1277 0.302,1278 1.425,1279 4.205,1281 5.493,1283 6.986,1285 8.566,1287 10.193,1289 1.877,1295 6.222,1296 5.514,1297 10.931,1300 4.257,1305 34.562,1306 93.248,1307 191.872,1308 234.501,1309 245.72,1310 245.72,1311 245.72,1312 44.315,1313 7.591,1314 104.74,1315 104.74,1316 24,1317 12.49,1318 3.807,1319 3,1320 46.862,1321 120,1322 158,1323 0.185,1324 212.101,1325 368.21,1326 509.286,1327 19235,1329 20.761,1330 0.692,1331 0.571,1332 20.761,1333 17.134,1334 14.725,1335 0.446,1336 0.312,1337 10.063,1338 13.85,1339 9.914,1340 8.137,1341 14.725,1342 10.295,1343 12.694,1344 0.288,1345 0.16,1346 12.694,1347 7.02,1348 10.525,1349 0.185,1350 0.087,1351 10.525,1352 4.938,1353 8.896,1354 0.12,1355 0.045,1356 8.896,1357 3.331,1358 7.3,1359 0.075,1360 0.023,1361 7.3,1362 2.219,1363 0.289,1364 94.162,1365 0.21,1366 28.36,1367 0.511,1368 154,1369 492.098,1370 177.291,1371 458.426,1372 627.07,1373 434,1374 178,1375 456.937,1376 201.018,1377 453.908,1378 670.8,1379 428,1380 6.606}
{0 CHEMBL596994,1 1.658,2 11.069,3 1.424,4 2.027,5 108.372,6 7.398,7 0.375,8 4.112,9 4.243,10 3.675,11 3.512,12 5.17,13 3.531,14 4.687,15 4.885,16 4.008,17 3.887,18 5.755,19 3.88,20 4.878,21 5.101,22 4.031,23 4.031,24 5.858,25 3.988,26 4.874,27 5.121,28 3.977,29 3.997,30 5.894,31 3.946,32 4.822,33 5.061,34 4.024,35 3.98,36 5.877,37 3.946,38 4.753,39 4.949,40 4.003,41 4.019,42 5.755,43 3.983,44 4.886,45 5.101,46 3.966,47 4.128,48 5.799,49 4.038,50 5.044,51 5.3,52 3.873,53 4.165,54 5.887,55 4.007,56 0.089,57 0.843,58 11.662,59 3.992,60 6.515,61 5.979,62 0.67,63 1.265,64 24.2,65 6.798,66 40.043,67 9.95,68 0.626,69 1.465,70 29.937,71 7.94,72 40.684,73 12.772,74 0.575,75 1.464,76 29.931,77 7.351,78 51.938,79 12.456,80 0.64,81 1.408,82 28.375,83 6.964,84 53.205,85 11.853,86 0.429,87 1.435,88 24.569,89 7.082,90 28.786,91 11.071,92 0.552,93 1.526,94 28.712,95 9.432,96 32.128,97 14.305,98 0.495,99 1.525,100 35.622,101 13.492,102 50.693,103 19.564,104 8,105 43,106 0.276,107 0.572,108 0.685,109 0.698,110 0.698,111 0.698,112 3.408,113 0.913,114 -3.44,115 -3.42,116 -3.27,119 35.2,124 1,125 8,142 4,143 1,144 1,149 1,150 2,159 1,172 4,174 7,175 2,178 2,179 1,180 2,183 4,186 2,187 4,192 2,195 2,198 3,199 9,204 3,211 4,212 8,217 2,224 7,227 2,229 1,236 4,237 2,249 2,250 4,253 5,263 4,275 1473,276 20.093,277 20.093,278 20.093,279 20.093,280 20.093,281 18.631,282 29.47,283 12.157,284 20.921,285 15.791,286 15.791,287 15.791,288 15.791,289 15.791,290 13.405,291 43.054,292 5.78,293 17.046,294 4.097,295 2.323,296 1.644,297 1.57,298 1.57,299 1.57,300 4.109,304 1,305 1,306 694,307 2.915,311 384.121,318 1.727,319 28.204,322 1,323 0.83,324 1,325 1,326 1,327 1,328 1,329 0.98,330 64.5,331 321,332 4.394,333 3.54,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.064,342 3.246,343 6.024,344 3.706,345 2.748,346 3.597,347 0.86,348 8.665,349 2.61,350 3.795,351 3.013,352 6.016,353 3.591,354 2.684,355 3.073,356 0.86,357 8.629,358 2.432,359 3.781,360 2.809,361 5.464,362 3.469,363 2.511,364 2.972,365 0.8,366 7.31,367 2.396,368 3.442,369 2.461,370 4.8,371 3.048,372 2.075,373 2.655,374 0.8,375 5.392,376 2.01,377 3.089,378 2.299,379 4.656,380 2.816,381 1.894,382 2.174,383 0.247,384 4.983,385 1.735,386 2.838,387 2.25,388 4.283,389 2.577,390 1.697,391 1.879,393 4.065,394 1.488,395 2.735,396 1.716,397 4.188,398 2.293,399 1.376,400 1.812,402 3.676,403 1.256,404 2.5,405 1.288,406 3.508,407 2,408 1.089,409 1.5,411 2.669,412 1,413 2.231,414 1.274,415 3.472,416 1.966,417 1,418 1.213,420 2.509,421 0.95,422 2.166,423 1.256,424 3.414,425 1.952,426 1,427 1.132,428 2.275,429 0.946,430 2,431 1.256,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.098,440 3.247,441 1.869,442 1,443 1,445 2.136,446 0.866,447 1.519,448 1,449 2.903,450 1.331,451 0.404,452 0.432,454 0.625,455 0.372,456 1.308,457 0.483,458 2.604,459 0.894,460 -0.102,461 -0.132,463 -0.214,464 -0.1,465 13.3,466 0.459,467 0.533,468 0.018,469 36.25,470 1.25,471 15,472 0.517,473 21.25,474 0.733,475 23.859,476 0.823,477 32.9,478 0.609,479 27.976,480 0.965,481 7.352,482 0.254,483 6.873,484 0.237,485 0.063,487 0.286,493 0.9,494 1.819,495 0.777,496 1.388,497 0.643,498 1.095,499 1.134,500 0.856,501 0.961,502 0.853,503 0.697,504 0.877,505 1.11,506 1.216,507 0.983,508 0.972,509 0.952,510 0.956,511 0.964,512 1.093,513 1.012,514 0.943,515 1.173,516 0.956,517 0.868,518 1.041,519 0.876,520 0.81,521 0.984,522 0.816,523 1.039,524 1.22,525 1.155,526 1.135,527 0.931,528 1.138,529 0.702,530 1.078,531 1.163,532 1.23,533 0.555,534 1.268,535 0.35,536 1.037,537 0.906,538 1.399,539 0.333,540 1.305,541 5,542 0.149,543 2.667,544 1.063,545 1.058,546 1.312,547 0.546,548 0.207,549 0.228,550 0.192,551 10644,552 29455,553 2.132,554 46.3,556 23,559 2,564 1.724,565 2.047,566 3.409,567 0.33,568 1,569 1,573 89.551,574 1.658,575 3.431,576 4.111,577 4.185,578 4.185,579 4.185,580 2.879,581 3.892,582 4.823,583 3.596,584 1459.93,585 8.43,586 19777.7,588 1,590 1,591 310.764,592 1.178,593 4.812,594 0.156,595 0.008,596 0.062,597 0.024,598 0.026,599 0.03,600 0.013,601 0.005,602 0.007,603 0.008,604 0.338,605 0.33,606 0.88,607 0.936,608 146.8,609 -0.077,610 -0.492,611 0.077,612 -0.232,613 -0.026,614 -0.07,615 0.027,616 0.281,617 0.009,618 0.129,619 0.087,620 0.06,621 -0.12,622 -0.163,623 -0.02,624 0.029,625 -0.054,626 0.02,627 -0.127,628 -0.015,629 -0.054,630 0.002,631 -0.129,632 -0.003,633 0.01,634 0.042,635 0.085,636 0.147,637 -0.013,638 0.141,639 -0.212,640 0.002,641 -0.252,642 -0.106,643 -0.168,644 -0.167,645 0.002,646 0.064,647 -0.267,648 -0.157,649 -0.056,650 -0.245,651 0.257,652 -0.093,653 0.012,654 -0.283,655 0.208,656 -0.208,657 1.929,658 4.489,659 0.828,660 30.226,661 1.012,662 1.145,663 2.212,664 4.893,665 0.634,666 3.497,667 3.784,668 4.043,669 4.29,670 4.575,671 4.644,672 4.86,673 5.004,674 5.118,675 5.198,676 6.618,677 0.612,678 399.51,679 3.497,680 5.017,681 5.855,682 6.715,683 7.573,684 8.443,685 9.31,686 10.186,687 11.059,688 11.938,689 13,695 2,696 2,699 3,702 1,704 4,705 3,709 5,711 12,726 2,731 54,733 13,734 1,735 32,737 57,738 19,739 9,740 2,741 4,746 4,747 4,751 1,761 10,762 9,766 1,771 1,775 1,778 1,781 25,782 10,783 2,784 10,790 7,794 1,795 3,812 4,839 2,840 4,844 1,848 29,854 8,855 2,856 2,859 2,870 5.6,873 1,874 2,877 14.167,878 9.833,879 6.5,880 3.231,881 2.311,882 1.307,883 0.972,884 6.516,885 9.836,886 3.689,887 4.19,888 4.7,889 5.246,890 5.823,891 6.112,892 6.572,893 6.943,894 7.252,895 7.561,896 1,897 44,898 10.718,900 4.465,901 7.707,902 20.573,904 16.501,905 2.207,906 64,910 270.735,911 89.438,912 92.627,914 47.145,917 89.438,918 317.88,919 92.627,920 8.396,921 62.814,922 37.905,923 97.501,924 14.519,925 8.074,926 270.735,928 270.735,929 182.065,930 47.145,933 273.063,934 25.145,935 22,937 66.612,938 62.768,939 50.357,941 270.735,942 139.771,943 89.438,946 270.735,947 43.137,948 52.55,949 36.022,950 97.501,951 270.735,952 139.771,953 89.438,955 0.568,956 0.328,957 0.174,958 0.101,959 20,960 8,961 0.07,962 4,964 1,965 4.093,966 255.456,968 24,969 107.372,974 19.981,975 9.458,976 5.001,978 139.771,979 7.452,980 14.166,984 3.483,986 36.022,987 499.945,988 39,993 11.489,997 -0.262,999 54.647,1000 61.853,1001 0.288,1002 0.596,1003 0.714,1004 0.727,1005 0.727,1006 0.727,1007 4.92,1008 1.376,1009 5.808,1010 4.065,1011 4.466,1012 4.875,1013 2.368,1014 6.572,1015 4.324,1016 6.067,1017 1.089,1018 7.331,1019 3.676,1020 3.892,1021 4.527,1022 1.404,1023 7.357,1024 3.703,1025 7.34,1026 1,1027 8.953,1028 2.669,1029 6.009,1030 6.927,1031 2.66,1032 10.448,1033 5.733,1034 8.645,1035 1,1036 10.636,1037 2.509,1038 6.275,1039 7.406,1040 2.382,1041 12.069,1042 5.947,1043 9.985,1044 1,1045 12.357,1046 2.275,1047 7.819,1048 9.285,1049 3.324,1050 14.642,1051 7.411,1052 11.347,1053 1,1054 14.104,1055 2.136,1056 8.489,1057 10.16,1058 3.421,1059 16.611,1060 8.02,1061 12.726,1062 0.404,1063 15.871,1064 2.136,1065 9.777,1066 11.806,1067 4.179,1068 18.991,1069 9.235,1070 3.07,1071 -0.102,1072 17.65,1073 0.625,1074 10.653,1075 12.895,1076 4.467,1077 21.117,1078 10.044,1079 2.748,1080 9.93,1081 19.44,1082 -0.214,1083 11.826,1084 14.423,1085 5.118,1086 23.422,1087 11.146,1088 2.684,1089 8.665,1090 21.237,1091 4.05,1092 12.808,1093 15.635,1094 5.504,1095 25.621,1096 12.057,1097 2.511,1098 8.629,1099 23.04,1100 3.597,1101 13.93,1102 17.099,1103 6.093,1104 27.9,1105 13.11,1106 2.075,1107 7.31,1108 24.848,1109 3.073,1110 14.967,1111 18.384,1112 6.531,1113 30.135,1114 14.075,1115 1.894,1116 5.392,1117 26.66,1118 2.972,1119 16.07,1120 19.813,1121 7.084,1122 32.407,1123 15.109,1124 1.697,1125 4.983,1126 28.475,1127 2.655,1128 17.137,1129 21.142,1130 7.551,1131 34.663,1132 16.103,1133 10186,1134 17061,1135 21.959,1136 34.256,1137 47.16,1138 48.75,1139 47.958,1140 47.051,1141 47.094,1142 56.98,1143 10.446,1144 130,1145 43.732,1146 5.394,1147 5.54,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 10.498,1156 1.474,1157 1.523,1158 1.499,1159 1.47,1160 1.472,1161 1.781,1162 0.326,1163 4.062,1164 1.367,1165 4.005,1166 4.053,1167 3.967,1168 3.887,1169 7.431,1170 3.896,1171 3.835,1172 3.884,1173 3.769,1174 3.637,1175 5.076,1176 3.666,1177 3.744,1178 3.803,1179 3.625,1180 3.516,1181 4.703,1182 3.533,1183 3.593,1184 3.655,1185 3.51,1186 3.333,1187 4.616,1188 3.369,1189 3.483,1190 3.547,1191 3.393,1192 3.208,1193 4.592,1194 3.246,1195 3.111,1196 3.206,1197 2.922,1198 2.941,1199 4.213,1200 2.91,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.022,1206 2.91,1207 3.073,1208 3.158,1209 2.866,1210 2.839,1211 3.98,1212 2.849,1213 0.137,1214 0.111,1215 0.199,1216 0.125,1217 0.096,1218 4.394,1219 0.127,1220 3.54,1221 0.052,1222 6.383,1223 0.31,1224 3.994,1225 0.089,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.93,1232 1.899,1233 2.02,1234 2.08,1235 1.208,1236 2.056,1237 1.758,1238 1.7,1239 1.931,1240 1.969,1241 1.187,1242 1.962,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.099,1248 1.926,1249 1.469,1250 1.408,1251 1.7,1252 1.769,1253 0.825,1254 1.744,1255 1.386,1256 1.313,1257 1.524,1258 1.661,1259 0.825,1260 1.636,1261 1.153,1262 1.064,1263 1.513,1264 1.376,1265 0.69,1266 1.429,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.507,1272 1.429,1273 1.012,1274 0.938,1275 1.231,1276 1.313,1277 0.272,1278 1.304,1279 4.174,1281 5.468,1283 6.967,1285 8.551,1287 10.181,1289 1.578,1295 5.646,1296 5.282,1297 10.915,1300 4.25,1305 33.035,1306 89.551,1307 185.298,1308 222.009,1309 226.009,1310 226.009,1311 226.009,1312 41.19,1313 7.525,1314 104.74,1315 104.74,1316 24,1317 12.476,1318 3.807,1319 3,1320 44.477,1321 111,1322 138,1323 0.191,1324 202.508,1325 350.91,1326 485.88,1327 17494,1329 20.054,1330 0.692,1331 0.566,1332 20.054,1333 16.427,1334 14.225,1335 0.445,1336 0.304,1337 9.497,1338 13.345,1339 9.35,1340 7.665,1341 14.225,1342 9.734,1343 12.313,1344 0.286,1345 0.157,1346 12.313,1347 6.739,1348 10.44,1349 0.186,1350 0.086,1351 10.44,1352 4.828,1353 8.452,1354 0.117,1355 0.044,1356 8.452,1357 3.189,1358 7.251,1359 0.076,1360 0.023,1361 7.251,1362 2.196,1363 0.297,1364 91.266,1365 0.213,1366 27.456,1367 0.533,1368 150,1369 488.098,1370 172.958,1371 454.46,1372 620.43,1373 430,1374 174,1375 450.656,1376 196.852,1377 448.629,1378 662.06,1379 422,1380 6.456}
{0 CHEMBL597004,1 1.643,2 15,3 2.396,4 5.74,5 134.965,6 7.563,7 0.45,8 4.297,9 4.417,10 3.874,11 3.744,12 5.389,13 3.758,14 4.852,15 5.028,16 4.213,17 4.127,18 5.951,19 4.114,20 5.073,21 5.287,22 4.244,23 4.269,24 6.079,25 4.22,26 5.09,27 5.334,28 4.196,29 4.219,30 6.14,31 4.163,32 5.035,33 5.271,34 4.214,35 4.162,36 6.144,37 4.133,38 4.923,39 5.119,40 4.196,41 4.188,42 5.982,43 4.161,44 5.026,45 5.222,46 4.195,47 4.323,48 6.008,49 4.249,50 5.222,51 5.46,52 4.128,53 4.386,54 6.208,55 4.244,56 0.114,57 1.012,58 13.43,59 5.273,60 11.57,61 7.117,62 0.686,63 1.576,64 27.057,65 8.906,66 45.639,67 12.005,68 0.667,69 1.865,70 35.244,71 10.65,72 48.457,73 15.781,74 0.607,75 1.869,76 36.658,77 10.326,78 61.573,79 16.066,80 0.798,81 1.741,82 35.326,83 9.101,84 76.863,85 14.246,86 0.581,87 1.712,88 28.931,89 8.496,90 43.536,91 12.437,92 0.586,93 1.848,94 31.68,95 11.295,96 37.826,97 16.05,98 0.708,99 1.956,100 41.757,101 16.352,102 91.451,103 23.034,104 6,105 54,106 0.261,107 0.575,108 0.672,109 0.711,110 0.726,111 0.731,112 3.615,113 0.898,114 -3.79,115 -3.76,116 -3.57,119 38.5,125 9,142 8,143 2,144 2,149 1,150 2,159 1,172 8,174 7,175 2,178 2,179 1,180 5,183 8,186 2,187 4,192 6,195 4,198 3,199 11,204 8,211 4,212 10,217 4,224 8,227 2,228 1,229 2,232 4,236 4,237 2,245 8,249 2,250 4,253 6,254 1,258 8,263 4,271 4,275 2654,276 24.971,277 24.971,278 24.971,279 24.971,280 24.971,281 22.785,282 37.349,283 15.044,284 25.795,285 19.757,286 19.757,287 19.757,288 19.757,289 19.757,290 16.31,291 55.947,292 7.169,293 21.079,294 4.379,295 2.397,296 1.785,297 1.538,298 1.446,299 1.415,300 4.326,305 1,306 1188,307 3.24,311 648.528,318 2.333,319 37.234,322 0.75,323 0.67,324 0.83,325 0.9,326 0.5,327 0.83,328 1,329 0.78,330 79.5,331 540,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.09,342 3.246,343 6.024,344 3.728,345 2.766,346 3.653,347 0.86,348 8.666,349 2.654,350 4.034,351 3.013,352 6.016,353 3.655,354 2.684,355 3.591,356 0.86,357 8.629,358 2.591,359 3.795,360 2.82,361 5.597,362 3.591,363 2.683,364 3.082,365 0.8,366 7.706,367 2.432,368 3.779,369 2.798,370 5.407,371 3.453,372 2.484,373 2.972,374 0.8,375 7.142,376 2.395,377 3.549,378 2.472,379 5.16,380 3.198,381 2.228,382 2.843,383 0.765,384 6.423,385 2.155,386 3.269,387 2.362,388 4.719,389 2.886,390 1.949,391 2.468,392 0.247,393 5.194,394 1.84,395 3.081,396 2.292,397 4.585,398 2.772,399 1.8,400 2.166,402 4.824,403 1.716,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.879,411 4.065,412 1.488,413 2.732,414 1.716,415 4.185,416 2.286,417 1.367,418 1.808,420 3.668,421 1.25,422 2.5,423 1.288,424 3.508,425 2,426 1.087,427 1.5,428 2.669,429 1,430 2.5,431 1.274,432 3.472,433 2,434 1,435 1.5,436 2.509,437 1,438 2.231,439 1.256,440 3.414,441 1.965,442 1,443 1.213,445 2.275,446 0.949,447 2.166,448 1.256,449 3.414,450 1.952,451 1,452 1.132,454 2.275,455 0.946,456 2,457 1.152,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.633,466 0.462,467 0.67,468 0.019,469 47,470 1.306,471 21.5,472 0.597,473 25.5,474 0.708,475 30.159,476 0.838,477 39.767,478 0.612,479 38.45,480 1.068,481 9.484,482 0.263,483 8.19,484 0.228,485 0.04,487 0.289,493 0.92,494 1.594,495 0.775,496 1.231,497 0.757,498 1.008,499 1.088,500 0.938,501 0.973,502 0.924,503 0.759,504 0.934,505 1.03,506 1.216,507 1.005,508 1.014,509 0.825,510 1.003,511 0.874,512 1.147,513 0.963,514 1.017,515 0.911,516 0.987,517 1.049,518 1.016,519 0.912,520 0.785,521 1.281,522 0.795,523 1.108,524 1.076,525 1.118,526 0.958,527 1.078,528 0.998,529 0.754,530 1.064,531 1.151,532 1.174,533 0.653,534 1.216,535 0.411,536 1.013,537 0.972,538 1.329,539 0.486,540 1.292,541 6.5,542 0.149,543 3.111,544 1.438,545 1.44,546 1.549,547 0.728,548 0.234,549 0.31,550 0.294,551 21982,552 59766,553 2.154,554 44.6,556 26,559 3,564 1.773,565 2.077,566 3.799,567 0.856,573 106.825,574 1.643,575 3.625,576 4.238,577 4.484,578 4.576,579 4.607,580 3.264,581 3.896,582 5.137,583 4.024,584 2535.16,585 9.024,586 42026.3,591 391.454,592 1.135,593 5.128,594 0.162,595 0.005,596 0.058,597 0.026,598 0.028,599 0.029,600 0.014,601 0.005,602 0.007,603 0.009,604 0.342,605 0.33,606 0.63,607 0.519,608 199.186,609 -0.092,610 -0.335,611 0.058,612 -0.128,613 -0.073,614 -0.024,615 0.009,616 0.203,617 -0.036,618 0.071,619 0.022,620 0.002,621 -0.106,622 -0.155,623 -0.054,624 -0.025,625 -0.047,626 -0.032,627 -0.063,628 -0.093,629 0.001,630 -0.072,631 -0.017,632 -0.024,633 -0.046,634 0.031,635 0.081,636 0.135,637 -0.064,638 0.14,639 -0.195,640 0.103,641 -0.196,642 0.004,643 -0.145,644 -0.071,645 -0.026,646 0.071,647 -0.262,648 -0.133,649 -0.067,650 -0.22,651 0.259,652 -0.069,653 -0.038,654 -0.247,655 0.233,656 -0.218,657 2.024,658 5.395,659 0.833,660 46.738,661 1.011,662 1.137,663 2.564,664 6.575,665 0.65,666 3.714,667 4.007,668 4.263,669 4.511,670 4.779,671 4.836,672 5.03,673 5.153,674 5.273,675 5.398,676 8.647,677 0.628,678 491.61,679 3.714,680 5.242,681 6.08,682 6.94,683 7.794,684 8.66,685 9.521,686 10.392,687 11.258,688 12.132,689 10.8,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 65,733 19,734 2,735 40,737 69,738 25,739 15,740 4,741 8,746 5,747 5,751 1,752 1,761 16,762 9,766 1,771 1,775 1,781 29,782 11,783 3,784 11,790 7,794 1,795 4,796 1,812 5,838 1,839 2,840 5,848 36,853 1,854 9,855 2,856 2,859 2,870 6.2,871 1,873 1,874 2,877 17.333,878 11.367,879 8,880 3.824,881 3.239,882 1.395,883 0.973,884 8.007,885 11.445,886 3.932,887 4.46,888 4.978,889 5.528,890 6.088,891 6.308,892 6.729,893 7.073,894 7.375,895 7.737,896 0.9,897 55,898 13.32,900 5.634,901 7.745,902 25.469,904 20.7,905 2.245,906 80.833,910 306.049,911 124.889,912 92.627,914 89.828,917 124.889,918 395.877,919 92.627,921 62.814,922 118.493,923 97.501,924 20.461,925 8.074,926 306.049,928 306.049,929 217.516,930 89.828,933 308.377,934 25.145,935 64.683,937 66.612,938 98.219,939 50.357,941 306.049,942 182.455,943 124.889,946 306.049,947 49.079,948 82.059,949 36.022,950 140.185,951 306.049,952 182.455,953 124.889,955 0.57,956 0.329,957 0.178,958 0.101,959 25,960 10,961 0.087,962 6,964 1,965 4.793,966 340.067,968 30,969 151.362,974 24.56,975 11.736,976 6.366,978 182.455,979 14.401,980 14.264,984 4.734,986 78.705,987 613.392,988 50,993 12.395,997 -0.358,999 65.741,1000 73.893,1001 0.273,1002 0.602,1003 0.704,1004 0.745,1005 0.76,1006 0.765,1007 5.162,1008 1.8,1009 6.033,1010 5.194,1011 4.691,1012 5.147,1013 2.472,1014 6.79,1015 4.571,1016 6.32,1017 1.697,1018 7.551,1019 4.824,1020 4.111,1021 4.783,1022 1.404,1023 7.545,1024 3.951,1025 7.595,1026 1.367,1027 9.165,1028 4.065,1029 6.232,1030 7.224,1031 2.707,1032 10.623,1033 5.999,1034 8.901,1035 1.087,1036 10.836,1037 3.668,1038 6.479,1039 7.663,1040 2.382,1041 12.205,1042 6.196,1043 10.239,1044 1,1045 12.545,1046 2.669,1047 8.026,1048 9.579,1049 3.339,1050 14.766,1051 7.679,1052 11.598,1053 1,1054 14.279,1055 2.509,1056 8.672,1057 10.407,1058 3.421,1059 16.704,1060 8.265,1061 12.972,1062 1,1063 16.032,1064 2.275,1065 9.962,1066 12.079,1067 4.183,1068 19.073,1069 9.494,1070 3.07,1071 1,1072 17.798,1073 2.275,1074 10.816,1075 13.124,1076 4.467,1077 21.178,1078 10.281,1079 2.766,1080 9.93,1081 19.574,1082 2.136,1083 11.986,1084 14.667,1085 5.119,1086 23.474,1087 11.39,1088 2.684,1089 8.666,1090 21.359,1091 4.05,1092 12.95,1093 15.842,1094 5.504,1095 25.661,1096 12.283,1097 2.683,1098 8.629,1099 23.15,1100 3.653,1101 14.066,1102 17.312,1103 6.093,1104 27.933,1105 13.338,1106 2.484,1107 7.706,1108 24.947,1109 3.591,1110 15.089,1111 18.567,1112 6.531,1113 30.161,1114 14.287,1115 2.228,1116 7.142,1117 26.749,1118 3.082,1119 16.185,1120 19.996,1121 7.084,1122 32.428,1123 15.318,1124 1.949,1125 6.423,1126 28.555,1127 2.972,1128 17.24,1129 21.3,1130 7.551,1131 34.679,1132 16.3,1133 20470,1134 33900,1135 27.622,1136 42.233,1137 59.067,1138 60.69,1139 59.653,1140 58.929,1141 58.952,1142 73.197,1143 11.976,1144 162.841,1145 55.367,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 12.036,1156 1.477,1157 1.517,1158 1.491,1159 1.473,1160 1.474,1161 1.83,1162 0.299,1163 4.071,1164 1.384,1165 4.016,1166 4.062,1167 3.975,1168 3.901,1169 7.431,1170 3.909,1171 3.919,1172 3.954,1173 3.863,1174 3.841,1175 6.457,1176 3.841,1177 3.831,1178 3.878,1179 3.763,1180 3.637,1181 5.077,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.735,1188 3.533,1189 3.559,1190 3.612,1191 3.481,1192 3.321,1193 4.693,1194 3.355,1195 3.425,1196 3.471,1197 3.36,1198 3.164,1199 4.616,1200 3.205,1201 3.182,1202 3.228,1203 3.057,1204 2.941,1205 4.589,1206 2.963,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.041,1212 2.91,1213 0.11,1214 0.089,1215 0.16,1216 0.1,1217 0.077,1218 4.394,1219 0.101,1220 3.562,1221 0.041,1222 6.383,1223 0.248,1224 3.994,1225 0.072,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.934,1232 1.904,1233 2.03,1234 2.081,1235 1.208,1236 2.059,1237 1.905,1238 1.877,1239 2.011,1240 2.017,1241 1.187,1242 2.015,1243 1.757,1244 1.699,1245 1.93,1246 1.954,1247 1.139,1248 1.955,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.098,1254 1.926,1255 1.447,1256 1.394,1257 1.543,1258 1.712,1259 0.825,1260 1.671,1261 1.302,1262 1.254,1263 1.513,1264 1.59,1265 0.825,1266 1.555,1267 1.153,1268 1.064,1269 1.513,1270 1.392,1271 0.603,1272 1.429,1273 1.153,1274 1.064,1275 1.484,1276 1.376,1277 0.51,1278 1.429,1279 4.394,1281 5.694,1283 7.192,1285 8.773,1287 10.396,1294 9.146,1295 5.439,1296 5.607,1297 10.972,1300 4.234,1305 40.804,1306 106.825,1307 235.64,1308 275.454,1309 291.454,1310 297.454,1311 299.454,1312 57.351,1313 8.206,1314 124.97,1315 124.97,1316 30,1317 12.674,1318 4.322,1319 3.459,1320 54.608,1321 185,1322 226,1323 0.14,1324 247.883,1325 432.32,1326 596.595,1327 46288,1329 24.744,1330 0.687,1331 0.553,1332 24.744,1333 19.891,1334 17.674,1335 0.442,1336 0.299,1337 11.725,1338 16.732,1339 11.571,1340 9.47,1341 17.674,1342 11.975,1343 15.436,1344 0.286,1345 0.157,1346 15.436,1347 8.469,1348 13.023,1349 0.186,1350 0.086,1351 13.023,1352 5.995,1353 10.826,1354 0.12,1355 0.044,1356 10.826,1357 3.982,1358 9.062,1359 0.077,1360 0.023,1361 9.062,1362 2.708,1363 0.225,1364 112.521,1365 0.19,1366 33.469,1367 0.368,1368 188,1369 592.248,1370 213.063,1371 556.735,1372 759.51,1373 526,1374 218,1375 549.016,1376 242.847,1377 550.259,1378 810.28,1379 518,1380 9}
{0 CHEMBL597012,1 1.608,2 13.5,3 2.457,4 6.034,5 129.108,6 7.1,7 0.316,8 4.306,9 4.443,10 3.841,11 3.718,12 5.298,13 3.722,14 4.909,15 5.111,16 4.18,17 4.117,18 5.9,19 4.09,20 5.157,21 5.404,22 4.195,23 4.267,24 6.048,25 4.195,26 5.134,27 5.406,28 4.143,29 4.207,30 6.057,31 4.131,32 5.048,33 5.296,34 4.185,35 4.141,36 6.111,37 4.108,38 4.953,39 5.16,40 4.169,41 4.173,42 5.971,43 4.144,44 5.044,45 5.25,46 4.147,47 4.319,48 5.97,49 4.233,50 5.239,51 5.49,52 4.064,53 4.399,54 6.063,55 4.235,56 0.081,57 1.033,58 15.153,59 5.179,60 6.485,61 7.862,62 0.673,63 1.595,64 30.835,65 8.708,66 41.086,67 13.331,68 0.764,69 1.871,70 40.831,71 10.531,72 47.175,73 17.631,74 0.579,75 1.807,76 39.987,77 9.846,78 49.028,79 17.243,80 0.773,81 1.673,82 36.954,83 8.269,84 72.419,85 14.557,86 0.546,87 1.685,88 32.039,89 8.236,90 46.17,91 13.429,92 0.582,93 1.834,94 34.39,95 11.316,96 39.798,97 17.174,98 0.451,99 1.918,100 42.907,101 16.738,102 52.544,103 24.19,104 2,105 51,106 0.257,107 0.531,108 0.668,109 0.718,110 0.718,111 0.718,112 3.56,113 0.954,114 -4.41,115 -4.35,116 -4.1,119 34.8,121 3,125 10,142 4,143 1,144 1,149 1,150 2,159 1,168 1,172 6,174 7,175 4,178 2,179 1,180 2,183 5,186 3,187 5,190 1,192 4,195 2,198 3,199 9,204 4,211 4,212 12,217 4,224 10,227 2,229 2,236 4,237 3,245 4,249 2,250 4,253 5,258 6,262 2,263 4,271 4,275 2300,276 23.654,277 23.654,278 23.654,279 23.654,280 23.654,281 22.191,282 35.165,283 14.459,284 24.506,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 16.51,291 53.167,292 6.994,293 20.208,294 4.436,295 2.716,296 1.857,297 1.545,298 1.545,299 1.545,300 4.274,304 1,305 1,306 1016,307 3,311 600.171,318 2.147,319 31.499,322 0.75,323 0.67,324 0.83,325 0.9,326 1,327 0.83,328 1,329 0.85,330 75,331 459,332 4.394,333 3.555,334 6.383,335 3.994,336 3.07,337 4.05,338 1.629,339 9.93,340 2.86,341 4.066,342 3.246,343 6.024,344 3.718,345 2.759,346 3.598,347 0.86,348 8.666,349 2.622,350 3.822,351 3.013,352 6.016,353 3.591,354 2.684,355 3.086,356 0.86,357 8.629,358 2.505,359 3.795,360 2.812,361 5.567,362 3.587,363 2.631,364 2.972,365 0.8,366 7.631,367 2.432,368 3.58,369 2.669,370 5.323,371 3.35,372 2.397,373 2.764,374 0.8,375 6.923,376 2.281,377 3.261,378 2.455,379 4.732,380 2.966,381 2,382 2.319,383 0.4,384 5.246,385 1.932,386 3.082,387 2.298,388 4.612,389 2.808,390 1.871,391 2.16,392 0.142,393 4.907,394 1.733,395 2.838,396 2.25,397 4.283,398 2.577,399 1.697,400 1.879,402 4.065,403 1.488,404 2.734,405 1.716,406 4.187,407 2.395,408 1.422,409 1.809,411 3.679,412 1.383,413 2.5,414 1.492,415 3.569,416 2.275,417 1.34,418 1.5,420 2.985,421 1.242,422 2.426,423 1.288,424 3.508,425 2,426 1.085,427 1.417,428 2.668,429 1,430 2.231,431 1.274,432 3.472,433 1.984,434 1,435 1.213,436 2.509,437 0.983,438 2.166,439 1.256,440 3.414,441 1.964,442 1,443 1.132,445 2.275,446 0.948,447 2,448 1.256,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 1.077,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.7,466 0.462,467 0.602,468 0.018,469 39.5,470 1.162,471 15,472 0.441,473 24.5,474 0.721,475 32.267,476 0.949,477 38.9,478 0.589,479 30.88,480 0.908,481 7.56,482 0.222,483 9.182,484 0.27,485 0.021,487 0.268,493 0.858,494 1.738,495 0.809,496 1.376,497 0.612,498 1.118,499 1.113,500 1.037,501 1.002,502 0.99,503 0.66,504 0.984,505 1.05,506 1.128,507 1.001,508 0.951,509 0.893,510 0.963,511 0.847,512 1.091,513 0.908,514 0.945,515 0.911,516 0.915,517 1.195,518 1.025,519 0.935,520 0.772,521 1.772,522 0.784,523 1.364,524 1.126,525 1.161,526 0.978,527 1.675,528 1.005,529 0.857,530 1.076,531 1.209,532 1.205,533 0.872,534 1.251,535 0.348,536 1.095,537 0.951,538 1.429,539 0.376,540 1.336,541 5.5,542 0.14,543 2.667,544 1.375,545 1.209,546 1.431,547 0.647,548 0.179,549 0.261,550 0.254,551 18600,552 43889,553 2.182,554 48.5,555 2,556 24,559 2,561 4,564 1.76,565 2.125,566 3.672,567 0.264,573 106.133,574 1.608,575 3.329,576 4.188,577 4.499,578 4.499,579 4.499,580 3.072,581 3.922,582 5.054,583 3.893,584 2184.21,585 8.869,586 34322.1,591 398.93,592 1.012,593 5.053,594 0.145,595 0.005,596 0.052,597 0.027,598 0.025,599 0.028,600 0.013,601 0.004,602 0.006,603 0.008,604 0.313,605 0.17,606 0.63,607 0.299,608 183.771,609 -0.014,610 -0.382,611 0.089,612 -0.19,613 0.017,614 -0.054,615 0.038,616 0.126,617 -0.019,618 0.022,619 0.116,620 -0.017,621 -0.059,622 -0.089,623 -0.018,624 0.027,625 -0.025,626 0.01,627 -0.037,628 -0.06,629 0.066,630 -0.003,631 0.002,632 0.051,633 -0.061,634 0.027,635 0.077,636 0.15,637 -0.098,638 0.147,639 -0.275,640 0.067,641 -0.185,642 0.02,643 -0.243,644 -0.047,645 -0.057,646 0.113,647 -0.289,648 -0.106,649 -0.121,650 -0.216,651 0.226,652 -0.106,653 -0.048,654 -0.288,655 0.16,656 -0.234,657 1.89,658 5.347,659 0.882,660 41.785,661 1.006,662 1.145,663 3.185,664 10.141,665 0.629,666 3.664,667 3.951,668 4.205,669 4.466,670 4.727,671 4.771,672 4.977,673 5.118,674 5.242,675 5.361,676 8.018,677 0.601,678 468.63,679 3.664,680 5.187,681 6.023,682 6.882,683 7.734,684 8.601,685 9.461,686 10.332,687 11.198,688 12.072,689 12.1,692 1,695 2,696 2,699 3,702 1,704 4,705 3,709 5,711 12,726 2,731 66,733 13,734 1,735 38,737 70,738 23,739 9,740 2,741 4,746 5,747 5,751 1,755 3,758 3,761 10,762 13,766 1,771 1,775 1,781 32,782 11,783 2,784 11,790 8,793 1,794 1,795 3,812 5,839 2,840 5,848 34,854 13,855 2,856 2,859 3,870 4.5,873 1,874 2,877 16,878 11.533,879 7.5,880 4.231,881 2.346,882 1.291,883 0.982,884 7.833,885 10.398,886 3.829,887 4.304,888 4.787,889 5.327,890 5.875,891 6.151,892 6.607,893 6.978,894 7.297,895 7.628,896 0.889,897 51,898 12.634,900 5.338,901 7.603,902 24.656,904 20.322,905 2.103,906 71.5,910 353.133,911 92.857,912 95.506,914 47.145,917 92.857,918 400.278,919 95.506,921 74.506,922 37.905,923 97.501,924 17.521,925 8.074,926 353.133,928 353.133,929 188.363,930 47.145,933 308.377,934 72.229,935 22,937 81.306,938 54.372,939 50.357,941 353.133,942 142.651,943 92.857,946 353.133,947 54.952,948 47.155,949 35.899,950 97.501,951 353.133,952 142.651,953 92.857,955 0.568,956 0.324,957 0.18,958 0.102,959 24,960 9,961 0.071,962 5,964 1,965 4.643,966 317.081,968 30,969 140.974,974 23.394,975 11.384,976 6.217,978 142.651,979 7.603,980 14.315,984 3.528,986 35.899,987 588.64,988 45,993 12.347,997 -0.223,999 66.4,1000 75.597,1001 0.266,1002 0.551,1003 0.693,1004 0.744,1005 0.744,1006 0.744,1007 5.069,1008 1.697,1009 5.969,1010 4.907,1011 4.635,1012 4.99,1013 2.368,1014 6.72,1015 4.505,1016 6.197,1017 1.422,1018 7.479,1019 4.065,1020 4.007,1021 4.59,1022 1.404,1023 7.455,1024 3.817,1025 7.459,1026 1.34,1027 9.089,1028 3.679,1029 6.163,1030 6.992,1031 2.609,1032 10.559,1033 5.904,1034 8.75,1035 1.085,1036 10.759,1037 2.985,1038 6.382,1039 7.442,1040 2.324,1041 12.147,1042 6.055,1043 10.078,1044 1,1045 12.469,1046 2.668,1047 7.955,1048 9.32,1049 3.233,1050 14.72,1051 7.566,1052 11.429,1053 1,1054 14.207,1055 2.509,1056 8.59,1057 10.181,1058 3.316,1059 16.668,1060 8.128,1061 12.8,1062 1,1063 15.964,1064 2.275,1065 9.895,1066 11.824,1067 4.05,1068 19.043,1069 9.371,1070 3.07,1071 1,1072 17.736,1073 2.136,1074 10.746,1075 12.908,1076 4.325,1077 21.155,1078 10.148,1079 2.759,1080 9.93,1081 19.517,1082 2.136,1083 11.925,1084 14.433,1085 4.953,1086 23.456,1087 11.264,1088 2.684,1089 8.666,1090 21.307,1091 4.05,1092 12.89,1093 15.643,1094 5.326,1095 25.647,1096 12.154,1097 2.631,1098 8.629,1099 23.104,1100 3.598,1101 14.012,1102 17.104,1103 5.894,1104 27.922,1105 13.212,1106 2.397,1107 7.631,1108 24.906,1109 3.086,1110 15.037,1111 18.388,1112 6.319,1113 30.152,1114 14.163,1115 2,1116 6.923,1117 26.712,1118 2.972,1119 16.138,1120 19.816,1121 6.853,1122 32.421,1123 15.197,1124 1.871,1125 5.246,1126 28.522,1127 2.764,1128 17.196,1129 21.144,1130 7.305,1131 34.674,1132 16.181,1133 17184,1134 26600,1135 26.523,1136 41.546,1137 56.193,1138 57.463,1139 56.235,1140 56.085,1141 56.08,1142 65.988,1143 10.982,1144 153.484,1145 52.489,1146 5.394,1147 5.555,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.86,1153 16.41,1154 4.86,1155 7.824,1156 1.479,1157 1.512,1158 1.48,1159 1.476,1160 1.476,1161 1.737,1162 0.289,1163 4.039,1164 1.381,1165 4.01,1166 4.059,1167 3.97,1168 3.889,1169 7.431,1170 3.898,1171 3.847,1172 3.917,1173 3.774,1174 3.67,1175 5.077,1176 3.667,1177 3.823,1178 3.874,1179 3.705,1180 3.635,1181 4.703,1182 3.663,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.616,1188 3.533,1189 3.557,1190 3.612,1191 3.472,1192 3.319,1193 4.593,1194 3.353,1195 3.408,1196 3.463,1197 3.336,1198 3.104,1199 4.374,1200 3.162,1201 3.111,1202 3.206,1203 2.895,1204 2.941,1205 4.022,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.021,1212 2.91,1213 0.116,1214 0.094,1215 0.168,1216 0.105,1217 0.081,1218 4.394,1219 0.107,1220 3.555,1221 0.043,1222 6.383,1223 0.261,1224 3.994,1225 0.075,1226 3.07,1227 4.05,1228 1.629,1229 9.93,1230 2.86,1231 1.93,1232 1.899,1233 2.042,1234 2.081,1235 1.39,1236 2.059,1237 1.809,1238 1.742,1239 2.017,1240 2.019,1241 1.208,1242 2.023,1243 1.756,1244 1.698,1245 1.93,1246 1.956,1247 1.187,1248 1.956,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.099,1254 1.926,1255 1.446,1256 1.392,1257 1.539,1258 1.713,1259 0.825,1260 1.673,1261 1.26,1262 1.202,1263 1.513,1264 1.583,1265 0.825,1266 1.543,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.613,1278 1.429,1279 4.344,1281 5.638,1283 7.133,1285 8.712,1287 10.333,1295 10.872,1296 5.825,1297 10.986,1300 6.247,1305 39.637,1306 106.133,1307 219.699,1308 276.401,1309 296.93,1310 296.93,1311 296.93,1312 50.589,1313 8.052,1314 107.98,1315 107.98,1316 30,1317 12.614,1318 3.807,1319 3,1320 50.021,1321 160,1322 182,1323 0.147,1324 240.279,1325 418.75,1326 578.04,1327 37484,1329 23.167,1330 0.681,1331 0.571,1332 23.167,1333 19.41,1334 16.742,1335 0.441,1336 0.318,1337 11.834,1338 15.782,1339 11.705,1340 9.57,1341 16.742,1342 12.09,1343 14.645,1344 0.287,1345 0.17,1346 14.645,1347 8.649,1348 12.204,1349 0.185,1350 0.094,1351 12.204,1352 6.216,1353 10.374,1354 0.121,1355 0.05,1356 10.374,1357 4.304,1358 8.673,1359 0.077,1360 0.026,1361 8.673,1362 2.962,1363 0.234,1364 106.835,1365 0.194,1366 31.809,1367 0.392,1368 178,1369 535.743,1370 203.705,1371 500.283,1372 687.73,1373 474,1374 206,1375 506.698,1376 232.376,1377 502.654,1378 742.14,1379 474,1380 5.818}
{0 CHEMBL597814,1 1.603,2 14.229,3 3.487,4 12.156,5 133.19,6 7.431,7 0.462,8 4.274,9 4.4,10 3.846,11 3.738,12 5.336,13 3.743,14 4.836,15 5.02,16 4.19,17 4.119,18 5.904,19 4.099,20 5.051,21 5.266,22 4.206,23 4.257,24 6.031,25 4.201,26 5.069,27 5.322,28 4.151,29 4.205,30 6.068,31 4.136,32 5.003,33 5.243,34 4.19,35 4.143,36 6.093,37 4.111,38 4.9,39 5.094,40 4.173,41 4.177,42 5.944,43 4.149,44 5.014,45 5.214,46 4.173,47 4.318,48 5.98,49 4.238,50 5.207,51 5.449,52 4.075,53 4.378,54 6.105,55 4.229,56 0.058,57 1.004,58 13.406,59 5.234,60 7.527,61 7.222,62 0.614,63 1.568,64 27.061,65 8.876,66 40.537,67 12.211,68 0.581,69 1.85,70 34.673,71 10.511,72 43.455,73 15.617,74 0.495,75 1.859,76 36.168,77 10.298,78 52.383,79 16.218,80 0.689,81 1.719,82 34.299,83 8.898,84 69.069,85 14.034,86 0.48,87 1.696,88 28.55,89 8.266,90 38.983,91 12.122,92 0.51,93 1.839,94 31.751,95 11.324,96 35.309,97 16.251,98 0.519,99 1.95,100 41.224,101 16.238,102 65.28,103 22.827,104 5,105 53,106 0.255,107 0.553,108 0.659,109 0.699,110 0.714,111 0.719,112 3.588,113 0.908,114 -4.52,115 -4.44,116 -4.18,119 39.1,120 1,125 8,142 8,143 2,144 2,149 1,150 2,159 1,172 9,174 7,175 2,178 2,179 1,180 4,183 10,186 2,187 4,192 4,195 6,198 3,199 11,204 6,211 4,212 10,217 5,224 8,227 2,229 2,232 4,236 4,237 3,242 1,245 8,249 2,250 4,253 5,258 8,263 4,271 6,275 2472,276 24.101,277 24.101,278 24.101,279 24.101,280 24.101,281 21.863,282 35.058,283 14.546,284 24.905,285 19.329,286 19.329,287 19.329,288 19.329,289 19.329,290 15.887,291 52.024,292 7.029,293 20.608,294 4.397,295 2.523,296 1.856,297 1.606,298 1.512,299 1.481,300 4.299,305 1,306 1099,307 3.082,311 624.08,318 2.266,319 31.226,322 1,323 0.67,324 1,325 1,326 0.5,327 1,328 1,329 0.88,330 76.5,331 498,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.084,342 3.246,343 6.024,344 3.724,345 2.763,346 3.637,347 0.86,348 8.666,349 2.642,350 4.021,351 3.013,352 6.016,353 3.639,354 2.684,355 3.588,356 0.86,357 8.629,358 2.58,359 3.795,360 2.812,361 5.582,362 3.591,363 2.668,364 3.078,365 0.8,366 7.67,367 2.432,368 3.769,369 2.697,370 5.361,371 3.431,372 2.46,373 2.972,374 0.8,375 7.022,376 2.378,377 3.519,378 2.462,379 4.961,380 3.151,381 2.173,382 2.81,383 0.247,384 5.891,385 2.118,386 3.242,387 2.303,388 4.71,389 2.871,390 1.939,391 2.444,393 5.164,394 1.82,395 3.08,396 2.25,397 4.563,398 2.759,399 1.777,400 2.165,402 4.773,403 1.711,404 2.838,405 2.241,406 4.283,407 2.577,408 1.697,409 1.879,411 4.065,412 1.488,413 2.732,414 1.716,415 4.184,416 2.286,417 1.366,418 1.808,420 3.666,421 1.25,422 2.5,423 1.288,424 3.508,425 2,426 1.086,427 1.5,428 2.669,429 1,430 2.5,431 1.274,432 3.472,433 2,434 1,435 1.5,436 2.509,437 1,438 2.231,439 1.256,440 3.414,441 1.965,442 1,443 1.213,445 2.275,446 0.949,447 2.166,448 1.256,449 3.414,450 1.952,451 1,452 1.132,454 2.275,455 0.946,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.3,466 0.466,467 0.708,468 0.02,469 46.25,470 1.321,471 21.5,472 0.614,473 24.75,474 0.707,475 29.408,476 0.84,477 38.3,478 0.598,479 36.783,480 1.051,481 9.229,482 0.264,483 7.907,484 0.226,485 0.051,487 0.294,493 0.88,494 1.602,495 0.774,496 1.246,497 0.657,498 1.024,499 1.085,500 0.923,501 0.942,502 0.908,503 0.679,504 0.911,505 1.136,506 1.217,507 1.05,508 1.017,509 0.995,510 1.018,511 0.847,512 1.129,513 0.948,514 0.998,515 0.922,516 0.97,517 1.091,518 1.011,519 0.895,520 0.772,521 1.45,522 0.774,523 1.313,524 1.078,525 1.167,526 0.956,527 1.406,528 0.996,529 0.767,530 1.059,531 1.15,532 1.173,533 0.667,534 1.207,535 0.526,536 1.006,537 1.018,538 1.321,539 0.722,540 1.285,541 6.5,542 0.149,543 3.111,544 1.438,545 1.4,546 1.486,547 0.728,548 0.203,549 0.31,550 0.294,551 20213,552 51047,553 2.158,554 45.3,555 3,556 24,559 2,564 1.767,565 2.079,566 3.735,567 0.219,573 102.616,574 1.603,575 3.477,576 4.144,577 4.394,578 4.488,579 4.519,580 3.215,581 4.136,582 5.096,583 3.958,584 2354.76,585 8.948,586 37992.1,591 384,592 1.15,593 5.086,594 0.167,595 0.005,596 0.059,597 0.027,598 0.029,599 0.029,600 0.014,601 0.004,602 0.007,603 0.009,604 0.349,605 0.17,606 0.63,607 0.383,608 191.412,609 -0.054,610 -0.351,611 0.074,612 -0.154,613 -0.036,614 -0.037,615 0.078,616 0.207,617 0.013,618 0.078,619 0.107,620 0.026,621 -0.121,622 -0.158,623 -0.086,624 -0.036,625 -0.093,626 -0.057,627 -0.034,628 -0.082,629 0.024,630 -0.059,631 0.004,632 -0.01,633 -0.011,634 0.039,635 0.108,636 0.143,637 -0.016,638 0.152,639 -0.269,640 0.102,641 -0.226,642 -0.005,643 -0.225,644 -0.082,646 0.061,647 -0.247,648 -0.139,649 -0.035,650 -0.214,651 0.175,652 -0.07,653 -0.08,654 -0.246,655 0.098,656 -0.222,657 1.967,658 5.375,659 0.857,660 44.039,661 1.006,662 1.136,663 3.288,664 10.809,665 0.653,666 3.689,667 3.989,668 4.234,669 4.489,670 4.762,671 4.804,672 5.004,673 5.13,674 5.263,675 5.38,676 8.321,677 0.626,678 475.61,679 3.689,680 5.22,681 6.057,682 6.919,683 7.771,684 8.639,685 9.499,686 10.37,687 11.237,688 12.111,689 10.9,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 64,733 19,734 2,735 39,737 68,738 25,739 15,740 4,741 8,746 5,747 5,751 1,752 1,761 16,762 9,766 1,771 1,775 1,781 29,782 10,783 2,784 10,790 7,794 1,795 3,812 5,839 2,840 5,844 1,848 35,854 8,855 2,856 2,859 2,870 4.7,873 1,874 2,877 16.833,878 11.667,879 7.667,880 3.849,881 3.206,882 1.394,883 0.992,884 7.498,885 11.338,886 3.912,887 4.449,888 4.958,889 5.51,890 6.073,891 6.277,892 6.703,893 7.055,894 7.371,895 7.728,896 1,897 53,898 12.951,900 5.456,901 7.652,902 24.951,904 20.282,905 2.152,906 75.333,910 317.82,911 133.714,912 92.627,914 47.145,917 133.714,918 364.964,919 92.627,920 8.825,921 62.814,922 75.81,923 97.501,924 20.461,925 8.074,926 317.82,928 317.82,929 226.341,930 47.145,933 320.148,934 25.145,935 22,937 75.437,938 98.219,939 50.357,941 317.82,942 139.771,943 133.714,946 317.82,947 49.079,948 90.884,949 36.022,950 97.501,951 317.82,952 139.771,953 133.714,955 0.574,956 0.325,957 0.177,958 0.103,959 25,960 10,961 0.074,962 5,964 1,965 4.705,966 329.09,968 30,969 142.015,974 23.642,975 11.1,976 6.131,978 139.771,979 15.151,980 14.294,984 5.298,986 36.022,987 591.305,988 49,993 12.375,997 -0.3,999 64.414,1000 72.684,1001 0.267,1002 0.58,1003 0.691,1004 0.732,1005 0.748,1006 0.753,1007 5.145,1008 1.777,1009 6.014,1010 5.164,1011 4.673,1012 5.136,1013 2.368,1014 6.77,1015 4.555,1016 6.308,1017 1.697,1018 7.531,1019 4.773,1020 4.111,1021 4.783,1022 1.404,1023 7.516,1024 3.951,1025 7.584,1026 1.366,1027 9.144,1028 4.065,1029 6.213,1030 7.214,1031 2.66,1032 10.6,1033 5.98,1034 8.89,1035 1.086,1036 10.814,1037 3.666,1038 6.463,1039 7.653,1040 2.382,1041 12.178,1042 6.18,1043 10.227,1044 1,1045 12.522,1046 2.669,1047 8.006,1048 9.568,1049 3.324,1050 14.746,1051 7.657,1052 11.584,1053 1,1054 14.255,1055 2.509,1056 8.653,1057 10.394,1058 3.421,1059 16.684,1060 8.242,1061 12.958,1062 1,1063 16.008,1064 2.275,1065 9.942,1066 12.068,1067 4.179,1068 19.058,1069 9.47,1070 3.07,1071 1,1072 17.774,1073 2.275,1074 10.797,1075 13.111,1076 4.467,1077 21.165,1078 10.255,1079 2.763,1080 9.93,1081 19.551,1082 2.136,1083 11.967,1084 14.655,1085 5.118,1086 23.464,1087 11.365,1088 2.684,1089 8.666,1090 21.337,1091 4.05,1092 12.932,1093 15.829,1094 5.504,1095 25.653,1096 12.256,1097 2.668,1098 8.629,1099 23.129,1100 3.637,1101 14.049,1102 17.3,1103 6.093,1104 27.926,1105 13.311,1106 2.46,1107 7.67,1108 24.928,1109 3.588,1110 15.073,1111 18.554,1112 6.531,1113 30.156,1114 14.26,1115 2.173,1116 7.022,1117 26.731,1118 3.078,1119 16.17,1120 19.984,1121 7.084,1122 32.424,1123 15.292,1124 1.939,1125 5.891,1126 28.538,1127 2.972,1128 17.226,1129 21.288,1130 7.551,1131 34.676,1132 16.273,1133 18754,1134 29981,1135 26.929,1136 41.779,1137 57.993,1138 59.344,1139 58.288,1140 57.745,1141 57.77,1142 72.02,1143 10.446,1144 159.949,1145 54.351,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 11.753,1156 1.487,1157 1.522,1158 1.495,1159 1.481,1160 1.481,1161 1.847,1162 0.268,1163 4.101,1164 1.394,1165 4.015,1166 4.062,1167 3.974,1168 3.901,1169 7.431,1170 3.908,1171 3.917,1172 3.955,1173 3.857,1174 3.842,1175 5.077,1176 3.84,1177 3.831,1178 3.878,1179 3.762,1180 3.637,1181 4.762,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.697,1188 3.533,1189 3.558,1190 3.612,1191 3.48,1192 3.321,1193 4.616,1194 3.355,1195 3.416,1196 3.467,1197 3.351,1198 3.163,1199 4.589,1200 3.2,1201 3.126,1202 3.206,1203 2.973,1204 2.941,1205 4.073,1206 2.941,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.022,1212 2.91,1213 0.113,1214 0.091,1215 0.164,1216 0.102,1217 0.079,1218 4.394,1219 0.104,1220 3.562,1221 0.042,1222 6.383,1223 0.255,1224 3.994,1225 0.073,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.935,1232 1.904,1233 2.04,1234 2.081,1235 1.208,1236 2.059,1237 1.908,1238 1.878,1239 2.015,1240 2.017,1241 1.187,1242 2.019,1243 1.757,1244 1.699,1245 1.93,1246 1.954,1247 1.132,1248 1.955,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.097,1254 1.926,1255 1.447,1256 1.394,1257 1.572,1258 1.711,1259 0.825,1260 1.672,1261 1.31,1262 1.252,1263 1.522,1264 1.583,1265 0.825,1266 1.561,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.623,1272 1.429,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.511,1278 1.429,1279 4.369,1281 5.673,1283 7.172,1285 8.753,1287 10.376,1289 2.006,1295 5.571,1296 5.699,1297 10.981,1300 4.258,1305 40.089,1306 102.616,1307 222.534,1308 265.245,1309 281.245,1310 287.245,1311 289.245,1312 51.139,1313 8.132,1314 104.74,1315 104.74,1316 30,1317 12.653,1318 4.322,1319 3.459,1320 52.293,1321 172,1322 204,1323 0.143,1324 243.887,1325 423.53,1326 586.844,1327 41755,1329 24.037,1330 0.687,1331 0.564,1332 24.037,1333 19.736,1334 17.136,1335 0.439,1336 0.303,1337 11.577,1338 16.276,1339 11.362,1340 9.339,1341 17.136,1342 11.805,1343 15.267,1344 0.288,1345 0.16,1346 15.267,1347 8.48,1348 12.614,1349 0.186,1350 0.087,1351 12.614,1352 5.91,1353 10.516,1354 0.119,1355 0.045,1356 10.516,1357 3.925,1358 8.964,1359 0.077,1360 0.023,1361 8.964,1362 2.708,1363 0.229,1364 108.585,1365 0.193,1366 32.631,1367 0.38,1368 184,1369 556.098,1370 207.624,1371 526.743,1372 725.07,1373 498,1374 213,1375 533.501,1376 236.518,1377 535.536,1378 787.12,1379 504,1380 7.783}
{0 CHEMBL597815,1 1.791,2 14.278,3 3.411,4 11.638,5 128.582,6 8.157,7 0.45,8 4.248,9 4.365,10 3.884,11 3.692,12 5.402,13 3.725,14 4.808,15 4.979,16 4.247,17 4.068,18 6.006,19 4.083,20 5.039,21 5.249,22 4.287,23 4.194,24 6.186,25 4.181,26 5.025,27 5.261,28 4.238,29 4.135,30 6.269,31 4.115,32 4.963,33 5.187,34 4.252,35 4.102,36 6.253,37 4.098,38 4.889,39 5.077,40 4.203,41 4.15,42 6.01,43 4.141,44 4.992,45 5.181,46 4.235,47 4.285,48 6.154,49 4.227,50 5.184,51 5.421,52 4.129,53 4.348,54 6.166,55 4.22,56 0.198,57 1.09,58 10.85,59 4.964,60 15.963,61 6.118,62 0.773,63 1.682,64 23.629,65 8.404,66 46.004,67 10.36,68 1.032,69 2.02,70 33.224,71 10.012,72 80.749,73 13.406,74 1.03,75 2.03,76 33.525,77 9.398,78 114.909,79 13.38,80 1.12,81 1.721,82 31.374,83 8.222,84 116.068,85 12.237,86 0.74,87 1.758,88 25.697,89 8.277,90 61.546,91 10.773,92 0.87,93 1.926,94 28.093,95 10.853,96 74.936,97 14.468,98 0.837,99 2.019,100 39.319,101 16.136,102 84.49,103 21.776,104 10,105 55,106 0.287,107 0.584,108 0.677,109 0.729,110 0.742,111 0.742,112 3.615,113 0.87,114 -4.52,115 -4.44,116 -4.18,119 39.3,125 8,142 7,143 1,144 4,149 1,150 2,159 1,172 5,174 7,175 2,178 2,179 1,180 3,183 5,186 2,187 4,192 4,195 3,198 3,199 10,204 4,211 4,212 10,217 4,224 7,227 2,229 1,232 2,236 4,237 2,245 6,249 2,250 4,253 5,258 5,263 4,271 2,275 2588,276 24.601,277 24.601,278 24.601,279 24.601,280 24.601,281 22.31,282 34.216,283 14.735,284 25.516,285 19.807,286 19.807,287 19.807,288 19.807,289 19.807,290 16.278,291 49.755,292 7.096,293 21.311,294 4.14,295 2.296,296 1.712,297 1.389,298 1.311,299 1.311,300 4.324,305 1,306 1130,307 3.162,311 643.05,318 2.247,319 50.93,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 81.5,331 514,332 4.394,333 3.575,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.248,342 3.246,343 6.087,344 3.837,345 2.886,346 3.888,347 0.86,348 8.837,349 2.731,350 4.059,351 3.176,352 6.023,353 3.697,354 2.739,355 3.596,356 0.86,357 8.662,358 2.601,359 3.795,360 3.013,361 6.016,362 3.591,363 2.684,364 3.078,365 0.8,366 8.629,367 2.432,368 3.777,369 2.809,370 5.461,371 3.449,372 2.492,373 2.972,374 0.8,375 7.301,376 2.374,377 3.524,378 2.689,379 5.005,380 3.122,381 2.176,382 2.832,383 0.247,384 5.994,385 2.051,386 3.324,387 2.46,388 4.769,389 2.904,390 1.97,391 2.54,393 5.273,394 1.824,395 3.086,396 2.299,397 4.655,398 2.796,399 1.859,400 2.173,402 4.966,403 1.722,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.94,411 4.065,412 1.488,413 2.819,414 1.875,415 4.2,416 2.365,417 1.421,418 1.879,420 3.731,421 1.329,422 2.73,423 1.715,424 4.081,425 2.279,426 1.349,427 1.805,428 3.529,429 1.245,430 2.5,431 1.288,432 3.508,433 2,434 1.086,435 1.5,436 2.669,437 1,438 2.231,439 1.274,440 3.472,441 1.965,442 1,443 1.213,445 2.509,446 0.949,447 2.166,448 1.256,449 3.414,450 1.952,451 1,452 1.132,454 2.275,455 0.946,456 2,457 1.256,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.371,466 0.455,467 0.797,468 0.022,469 47.25,470 1.313,471 21.5,472 0.597,473 25.75,474 0.715,475 30.007,476 0.834,477 40.029,478 0.656,479 39.765,480 1.105,481 9.61,482 0.267,483 7.936,484 0.22,485 0.055,487 0.324,491 2,493 0.737,494 1.348,495 0.677,496 1.234,497 0.545,498 0.993,499 0.9,500 0.916,501 0.877,502 0.943,503 0.582,504 0.92,505 1.05,506 1.106,507 1.002,508 0.969,509 0.916,510 0.968,511 0.842,512 1.008,513 0.948,514 0.969,515 0.811,516 0.96,517 0.741,518 0.78,519 0.853,520 0.764,521 0.746,522 0.802,523 0.996,524 0.929,525 1.114,526 0.967,527 0.896,528 1.025,529 0.555,530 0.854,531 1.071,532 1.154,533 0.401,534 1.239,535 0.463,536 0.893,537 0.95,538 1.351,539 0.48,540 1.339,541 7,542 0.182,543 3.556,544 1.75,545 1.671,546 1.486,547 0.81,548 0.266,549 0.322,550 0.31,551 21582,552 68386,553 2.137,554 41,556 23,559 2,564 1.773,565 2.038,566 3.738,567 0.259,573 109.233,574 1.791,575 3.635,576 4.219,577 4.541,578 4.619,579 4.619,580 3.194,581 3.983,582 5.14,583 3.97,584 2501.22,585 9.031,586 41269.6,591 361.775,592 1.256,593 5.118,594 0.175,595 0.006,596 0.065,597 0.031,598 0.032,599 0.028,600 0.015,601 0.005,602 0.007,603 0.009,604 0.373,605 0.17,606 0.63,607 0.442,608 198.569,609 -0.076,610 -0.279,611 0.054,612 -0.159,613 -0.031,614 -0.04,615 -0.016,616 0.054,617 -0.007,618 0.031,619 0.044,620 0.002,621 -0.119,622 -0.128,623 -0.056,624 -0.001,625 -0.061,626 -0.011,627 -0.012,628 -0.028,629 0.009,630 -0.041,631 0.065,632 -0.005,633 0.082,634 0.094,635 0.091,636 0.141,637 0.104,638 0.132,639 -0.224,640 0.042,641 -0.26,642 -0.014,643 -0.15,644 -0.105,645 0.084,646 0.09,647 -0.238,648 -0.13,649 0.121,650 -0.247,651 0.154,652 -0.067,653 -0.02,654 -0.268,655 0.089,656 -0.227,657 2.525,658 5.802,659 0.833,660 45.006,661 1.026,662 1.147,663 3.288,664 10.809,665 0.654,666 3.714,667 4.025,668 4.277,669 4.533,670 4.796,671 4.836,672 5.024,673 5.147,674 5.283,675 5.403,676 8.452,677 0.645,678 497.56,679 3.714,680 5.252,681 6.094,682 6.961,683 7.818,684 8.69,685 9.554,686 10.429,687 11.298,688 12.174,689 11.5,695 2,696 2,699 3,702 1,704 7,705 3,709 8,711 18,726 2,730 2,731 61,733 19,734 2,735 40,737 65,738 24,739 15,740 5,741 7,746 5,747 5,751 1,761 16,762 8,766 1,771 1,775 1,779 2,781 25,782 12,783 2,784 12,790 7,794 1,795 3,812 5,839 2,840 5,846 2,848 36,854 8,855 2,856 2,859 2,869 2,870 4.9,873 1,874 2,877 17.667,878 10.869,879 7.861,880 3.621,881 3.273,882 1.399,883 0.997,884 7.634,885 11.48,886 3.932,887 4.483,888 4.999,889 5.552,890 6.106,891 6.317,892 6.717,893 7.068,894 7.391,895 7.743,896 1,897 56,898 13.4,900 5.826,901 7.972,902 25.018,904 20.382,905 2.472,906 89,910 270.735,911 130.469,912 92.627,914 47.145,915 29.92,917 130.469,918 317.88,919 122.547,921 62.814,922 66.334,923 97.501,924 35.518,925 37.994,926 270.735,928 270.735,929 223.096,930 77.065,933 302.983,934 25.145,935 22,937 66.612,938 103.799,939 50.357,941 300.656,942 139.771,943 130.469,946 270.735,947 64.135,948 72.582,949 36.022,950 127.422,951 270.735,952 169.692,953 130.469,955 0.578,956 0.331,957 0.18,958 0.103,959 26,960 11,961 0.077,962 5,964 1,965 4.735,966 343.362,968 30,969 158.117,974 24.473,975 11.229,976 6.141,978 169.692,979 9.899,980 14.122,984 1.217,986 36.022,987 570.896,988 50,993 12.266,997 -0.655,999 62.556,1000 69.948,1001 0.302,1002 0.613,1003 0.711,1004 0.766,1005 0.779,1006 0.779,1007 5.173,1008 1.859,1009 6.061,1010 5.273,1011 4.71,1012 5.17,1013 2.368,1014 6.834,1015 4.571,1016 6.347,1017 1.697,1018 7.592,1019 4.966,1020 4.205,1021 4.89,1022 1.404,1023 7.618,1024 3.996,1025 7.633,1026 1.421,1027 9.22,1028 4.065,1029 6.267,1030 7.272,1031 2.66,1032 10.705,1033 6.002,1034 8.949,1035 1.349,1036 10.904,1037 3.731,1038 6.567,1039 7.781,1040 2.382,1041 12.304,1042 6.229,1043 10.297,1044 1.086,1045 12.624,1046 3.529,1047 8.084,1048 9.657,1049 3.324,1050 14.879,1051 7.694,1052 11.665,1053 1,1054 14.37,1055 2.669,1056 8.77,1057 10.547,1058 3.421,1059 16.826,1060 8.305,1061 13.049,1062 1,1063 16.133,1064 2.509,1065 10.046,1066 12.193,1067 4.179,1068 19.203,1069 9.527,1070 3.07,1071 1,1072 17.909,1073 2.275,1074 10.928,1075 13.288,1076 4.467,1077 21.31,1078 10.335,1079 2.886,1080 9.93,1081 19.695,1082 2.136,1083 12.093,1084 14.815,1085 5.118,1086 23.61,1087 11.444,1088 2.739,1089 8.837,1090 21.488,1091 4.05,1092 13.076,1093 16.028,1094 5.504,1095 25.793,1096 12.352,1097 2.684,1098 8.662,1099 23.287,1100 3.888,1101 14.192,1102 17.489,1103 6.093,1104 28.063,1105 13.41,1106 2.492,1107 8.629,1108 25.091,1109 3.596,1110 15.226,1111 18.77,1112 6.531,1113 30.285,1114 14.371,1115 2.176,1116 7.301,1117 26.899,1118 3.078,1119 16.324,1120 20.195,1121 7.084,1122 32.548,1123 15.406,1124 1.97,1125 5.994,1126 28.709,1127 2.972,1128 17.385,1129 21.517,1130 7.551,1131 34.791,1132 16.396,1133 20099,1134 36025,1135 27.334,1136 39.892,1137 59.803,1138 61.56,1139 60.283,1140 59.608,1141 59.548,1142 74.012,1143 10.446,1144 166.963,1145 55.351,1146 5.394,1147 5.575,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.411,1154 4.86,1155 14.557,1156 1.495,1157 1.539,1158 1.507,1159 1.49,1160 1.489,1161 1.85,1162 0.261,1163 4.174,1164 1.384,1165 4.014,1166 4.061,1167 3.976,1168 3.895,1169 8.211,1170 3.905,1171 3.915,1172 3.949,1173 3.884,1174 3.813,1175 8.191,1176 3.822,1177 3.83,1178 3.876,1179 3.763,1180 3.637,1181 7.431,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 5.076,1188 3.533,1189 3.556,1190 3.61,1191 3.48,1192 3.319,1193 4.704,1194 3.353,1195 3.394,1196 3.438,1197 3.345,1198 3.106,1199 4.616,1200 3.162,1201 3.111,1202 3.206,1203 2.937,1204 2.941,1205 4.596,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.536,1212 2.91,1213 0.11,1214 0.089,1215 0.16,1216 0.1,1217 0.077,1218 4.394,1219 0.101,1220 3.575,1221 0.041,1222 6.383,1223 0.248,1224 3.994,1225 0.072,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.932,1232 1.901,1233 2.02,1234 2.081,1235 1.208,1236 2.058,1237 1.866,1238 1.841,1239 1.949,1240 2.005,1241 1.187,1242 1.986,1243 1.756,1244 1.699,1245 1.928,1246 1.949,1247 1.1,1248 1.947,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.028,1254 1.926,1255 1.444,1256 1.391,1257 1.535,1258 1.707,1259 0.825,1260 1.666,1261 1.238,1262 1.193,1263 1.513,1264 1.549,1265 0.825,1266 1.498,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.514,1272 1.429,1273 1.153,1274 1.064,1275 1.357,1276 1.376,1277 0.312,1278 1.429,1279 4.394,1281 5.707,1283 7.215,1285 8.805,1287 10.438,1291 26.874,1295 5.209,1296 4.993,1297 10.92,1300 4.154,1305 39.329,1306 109.233,1307 221.717,1308 257.369,1309 277.02,1310 281.775,1311 281.775,1312 73.173,1313 8.207,1314 104.74,1315 104.74,1316 30,1317 12.714,1318 4.322,1319 3.459,1320 54.561,1321 182,1322 198,1323 0.142,1324 236.691,1325 418.37,1326 569.286,1327 46036,1328 3.3,1329 24.907,1330 0.692,1331 0.539,1332 23.167,1333 19.415,1334 17.547,1335 0.439,1336 0.29,1337 11.321,1338 16.459,1339 11.22,1340 9.141,1341 16.742,1342 11.6,1343 15.796,1344 0.287,1345 0.15,1346 14.645,1347 8.239,1348 13.058,1349 0.184,1350 0.081,1351 12.204,1352 5.78,1353 10.977,1354 0.119,1355 0.042,1356 10.374,1357 3.871,1358 9.177,1359 0.076,1360 0.022,1361 8.673,1362 2.609,1363 0.228,1364 112.782,1365 0.191,1366 33.335,1367 0.378,1368 190,1369 736.32,1370 221.286,1371 642.032,1372 855.86,1373 602,1374 221,1375 611.167,1376 251.183,1377 597.909,1378 881.41,1379 563,1380 7.218}
{0 CHEMBL597824,1 1.692,2 15.108,3 2.605,4 6.785,5 134.908,6 7.9,7 0.439,8 4.289,9 4.403,10 3.898,11 3.737,12 5.433,13 3.762,14 4.835,15 5.001,16 4.252,17 4.118,18 6.046,19 4.118,20 5.062,21 5.267,22 4.278,23 4.259,24 6.137,25 4.227,26 5.077,27 5.308,28 4.233,29 4.207,30 6.204,31 4.17,32 5.024,33 5.25,34 4.234,35 4.154,36 6.183,37 4.138,38 4.918,39 5.109,40 4.217,41 4.185,42 6.014,43 4.163,44 5.019,45 5.208,46 4.214,47 4.317,48 6.044,49 4.252,50 5.215,51 5.447,52 4.174,53 4.381,54 6.3,55 4.248,56 0.168,57 1,58 12.192,59 5.135,60 15.837,61 6.559,62 0.789,63 1.559,64 25.061,65 8.639,66 64.109,67 11.196,68 0.795,69 1.846,70 33.778,71 10.406,72 60.544,73 14.751,74 0.749,75 1.85,76 35.169,77 10.016,78 74.594,79 14.889,80 0.923,81 1.73,82 34.103,83 8.909,84 90.92,85 13.291,86 0.681,87 1.705,88 27.421,89 8.504,90 52.826,91 11.905,92 0.675,93 1.836,94 29.865,95 11.063,96 45.794,97 15.107,98 0.882,99 1.949,100 40.708,101 16.338,102 118.773,103 22.901,104 11,105 56,106 0.268,107 0.583,108 0.659,109 0.689,110 0.709,111 0.724,112 3.642,113 0.877,114 -3.82,115 -3.78,116 -3.59,119 39.1,125 8,142 8,143 2,144 2,149 1,150 2,158 1,159 1,167 1,170 1,172 8,173 1,174 7,175 3,178 3,179 1,180 5,183 8,184 2,186 2,187 6,192 6,195 4,196 2,198 3,199 13,204 8,211 4,212 10,217 4,218 1,224 8,227 3,228 1,229 2,232 4,236 4,237 2,238 1,243 1,245 8,249 3,250 4,253 7,254 1,258 8,263 4,271 4,272 2,275 2851,276 25.308,277 25.308,278 25.308,279 25.308,280 25.308,281 22.978,282 34.91,283 15.181,284 26.117,285 20.297,286 20.297,287 20.297,288 20.297,289 20.297,290 16.651,291 52.204,292 7.288,293 21.581,294 4.308,295 2.324,296 1.844,297 1.656,298 1.531,299 1.438,300 4.35,306 1225,307 3.536,311 672.976,318 2.375,319 44.357,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.5,328 0.5,329 0.59,330 82.5,331 559,332 4.394,333 3.58,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.176,342 3.558,343 6.024,344 3.796,345 2.807,346 3.763,347 1.437,348 8.666,349 2.774,350 4.063,351 3.246,352 6.016,353 3.705,354 2.742,355 3.597,356 0.86,357 8.629,358 2.613,359 3.843,360 3.013,361 5.931,362 3.591,363 2.684,364 3.148,365 0.86,366 8.25,367 2.46,368 3.795,369 2.811,370 5.551,371 3.528,372 2.562,373 2.997,374 0.8,375 7.551,376 2.432,377 3.66,378 2.566,379 5.302,380 3.296,381 2.328,382 2.972,383 0.8,384 6.831,385 2.246,386 3.345,387 2.449,388 4.728,389 2.926,390 1.969,391 2.55,392 0.247,393 5.222,394 1.891,395 3.085,396 2.297,397 4.605,398 2.793,399 1.837,400 2.171,402 4.873,403 1.725,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.879,411 4.065,412 1.488,413 2.762,414 1.887,415 4.186,416 2.297,417 1.374,418 1.816,420 3.674,421 1.262,422 2.723,423 1.715,424 3.768,425 2.226,426 1.227,427 1.736,428 2.906,429 1.204,430 2.5,431 1.288,432 3.508,433 2,434 1.085,435 1.5,436 2.668,437 1,438 2.5,439 1.274,440 3.472,441 2,442 1,443 1.5,445 2.509,446 1,447 2.231,448 1.256,449 3.414,450 1.965,451 1,452 1.213,454 2.275,455 0.948,456 2.166,457 1.256,458 3.414,459 1.952,460 1,461 1.132,463 2.275,464 0.946,465 16.967,466 0.459,467 0.797,468 0.022,469 49.25,470 1.331,471 23,472 0.622,473 26.25,474 0.709,475 30.359,476 0.821,477 40.633,478 0.635,479 41.493,480 1.121,481 9.977,482 0.27,483 8.07,484 0.218,485 0.059,487 0.312,493 0.877,494 1.577,495 0.736,496 1.214,497 0.68,498 0.98,499 0.91,500 0.938,501 0.912,502 0.927,503 0.509,504 0.926,505 1.012,506 1.206,507 0.998,508 1.002,509 0.781,510 0.992,511 0.915,512 1.144,513 0.982,514 1.012,515 0.919,516 0.989,517 1.048,518 1.016,519 0.947,520 0.786,521 1.165,522 0.81,523 0.957,524 1.071,525 1.084,526 0.966,527 0.828,528 1.01,529 0.738,530 1.057,531 1.159,532 1.177,533 0.612,534 1.235,535 0.285,536 1.013,537 0.918,538 1.346,539 0.263,540 1.312,541 7,542 0.182,543 3.556,544 1.688,545 1.48,546 1.667,547 0.728,548 0.297,549 0.31,550 0.334,551 23755,552 71390,553 2.133,554 42.2,556 24,559 3,564 1.779,565 2.037,566 3.82,567 0.863,573 108.261,574 1.692,575 3.676,576 4.156,577 4.344,578 4.469,579 4.563,580 3.268,581 4.291,582 5.177,583 4.068,584 2708.97,585 9.1,586 46138.3,591 384,592 1.241,593 5.159,594 0.171,595 0.006,596 0.063,597 0.03,598 0.028,599 0.031,600 0.013,601 0.006,602 0.007,603 0.01,604 0.364,605 0.33,606 0.63,607 0.575,608 206.869,609 -0.104,610 -0.333,611 0.049,612 -0.128,613 -0.067,614 -0.024,615 0.081,616 0.204,617 -0.011,618 0.063,619 0.156,620 0.001,621 -0.124,622 -0.15,623 -0.057,624 -0.018,625 -0.04,626 -0.023,627 -0.098,628 -0.089,629 -0.02,630 -0.071,631 -0.043,632 -0.028,633 -0.091,634 0.034,635 0.037,636 0.133,637 -0.106,638 0.126,639 -0.143,640 0.094,641 -0.192,642 -0.004,643 -0.091,644 -0.083,645 -0.044,646 0.07,647 -0.293,648 -0.142,649 -0.064,650 -0.246,651 0.349,652 -0.079,653 0.023,654 -0.258,655 0.335,656 -0.216,657 2.691,658 5.392,659 0.811,660 48.866,661 1.019,662 1.136,663 2.587,664 6.691,665 0.655,666 3.738,667 4.043,668 4.29,669 4.533,670 4.796,671 4.868,672 5.056,673 5.176,674 5.283,675 5.416,676 8.923,677 0.64,678 505.59,679 3.738,680 5.273,681 6.111,682 6.974,683 7.828,684 8.697,685 9.558,686 10.43,687 11.296,688 12.17,689 10.9,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,720 1,726 2,731 64,733 20,734 2,735 41,737 68,738 25,739 15,740 4,741 8,742 1,746 5,747 5,751 1,761 17,762 8,766 2,771 2,775 2,781 27,782 12,783 3,784 12,790 7,794 1,795 5,812 5,838 1,839 2,840 5,848 37,853 1,854 8,855 2,856 2,859 2,870 7.8,872 1,873 2,874 2,877 18.167,878 11.283,879 8.111,880 3.753,881 3.355,882 1.405,883 0.973,884 7.991,885 11.631,886 3.97,887 4.505,888 5.019,889 5.563,890 6.118,891 6.368,892 6.78,893 7.107,894 7.383,895 7.755,896 0.9,897 57,898 13.691,900 5.856,901 7.878,902 25.805,904 20.944,905 2.378,906 88,910 282.506,911 125.799,912 92.627,914 114.973,917 125.799,918 397.479,919 92.627,921 62.814,922 75.81,923 166.239,924 20.461,925 8.074,926 282.506,928 282.506,929 218.426,930 114.973,933 284.834,934 92.973,935 22,937 66.612,938 99.129,939 50.357,941 282.506,942 207.6,943 125.799,946 282.506,947 49.989,948 82.059,949 36.022,950 165.33,951 282.506,952 207.6,953 125.799,955 0.577,956 0.328,957 0.175,958 0.098,959 26,960 11,961 0.088,962 6,964 1,965 4.85,966 352.476,968 30,969 160.75,974 25.206,975 11.73,976 6.463,978 207.6,979 13.16,980 14.212,984 3.785,986 78.705,987 615.905,988 52,993 23.369,997 -1.469,999 65.185,1000 72.687,1001 0.282,1002 0.613,1003 0.693,1004 0.724,1005 0.745,1006 0.76,1007 5.207,1008 1.837,1009 6.075,1010 5.222,1011 4.727,1012 5.193,1013 2.695,1014 6.841,1015 4.615,1016 6.376,1017 1.697,1018 7.602,1019 4.873,1020 4.205,1021 4.879,1022 1.404,1023 7.621,1024 4.056,1025 7.658,1026 1.374,1027 9.226,1028 4.065,1029 6.279,1030 7.275,1031 3.128,1032 10.693,1033 6.061,1034 8.969,1035 1.227,1036 10.907,1037 3.674,1038 6.567,1039 7.755,1040 2.382,1041 12.29,1042 6.311,1043 10.312,1044 1.085,1045 12.625,1046 2.906,1047 8.089,1048 9.641,1049 3.815,1050 14.846,1051 7.77,1052 11.676,1053 1,1054 14.367,1055 2.668,1056 8.762,1057 10.501,1058 3.421,1059 16.788,1060 8.398,1061 13.055,1062 1,1063 16.126,1064 2.509,1065 10.038,1066 12.152,1067 4.621,1068 19.15,1069 9.616,1070 3.07,1071 1,1072 17.898,1073 2.275,1074 10.907,1075 13.22,1076 4.467,1077 21.253,1078 10.433,1079 2.807,1080 9.93,1081 19.679,1082 2.275,1083 12.069,1084 14.748,1085 5.489,1086 23.543,1087 11.539,1088 2.742,1089 8.666,1090 21.468,1091 4.05,1092 13.04,1093 15.938,1094 5.504,1095 25.724,1096 12.454,1097 2.684,1098 8.629,1099 23.262,1100 3.763,1101 14.153,1102 17.399,1103 6.392,1104 27.99,1105 13.51,1106 2.562,1107 8.25,1108 25.06,1109 3.597,1110 15.178,1111 18.662,1112 6.531,1113 30.212,1114 14.475,1115 2.328,1116 7.551,1117 26.863,1118 3.148,1119 16.271,1120 20.085,1121 7.321,1122 32.473,1123 15.511,1124 1.969,1125 6.831,1126 28.669,1127 2.997,1128 17.325,1129 21.394,1130 7.551,1131 34.718,1132 16.503,1133 22194,1134 38660,1135 28.027,1136 41.926,1137 61.228,1138 63.082,1139 61.736,1140 60.981,1141 60.991,1142 76.322,1143 13.32,1144 169.803,1145 57.537,1146 5.394,1147 5.58,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 3.093,1153 16.41,1154 4.86,1155 15.097,1156 1.493,1157 1.539,1158 1.506,1159 1.487,1160 1.488,1161 1.862,1162 0.325,1163 4.142,1164 1.403,1165 4.016,1166 4.062,1167 3.976,1168 3.9,1169 7.475,1170 3.909,1171 3.923,1172 3.952,1173 3.876,1174 3.841,1175 7.431,1176 3.843,1177 3.831,1178 3.877,1179 3.764,1180 3.637,1181 6.351,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 5.077,1188 3.533,1189 3.56,1190 3.612,1191 3.487,1192 3.321,1193 4.727,1194 3.355,1195 3.435,1196 3.467,1197 3.385,1198 3.161,1199 4.689,1200 3.215,1201 3.215,1202 3.214,1203 3.167,1204 2.941,1205 4.616,1206 2.987,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.589,1212 2.91,1213 0.107,1214 0.087,1215 0.156,1216 0.097,1217 0.075,1218 4.394,1219 0.099,1220 3.58,1221 0.04,1222 6.383,1223 0.242,1224 3.994,1225 0.07,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.933,1232 1.904,1233 2.023,1234 2.081,1235 1.208,1236 2.058,1237 1.899,1238 1.875,1239 1.997,1240 2.013,1241 1.187,1242 2.006,1243 1.757,1244 1.699,1245 1.93,1246 1.953,1247 1.102,1248 1.953,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.082,1254 1.926,1255 1.446,1256 1.393,1257 1.536,1258 1.711,1259 0.825,1260 1.669,1261 1.28,1262 1.248,1263 1.513,1264 1.582,1265 0.825,1266 1.526,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.515,1272 1.429,1273 1.153,1274 1.064,1275 1.385,1276 1.376,1277 0.34,1278 1.429,1279 4.419,1281 5.727,1283 7.229,1285 8.812,1287 10.437,1294 8.993,1295 5.345,1296 5.452,1297 10.953,1300 4.198,1305 40.992,1306 108.261,1307 235.245,1308 266,1309 278,1310 286,1311 292,1312 65.502,1313 8.276,1314 142.04,1315 142.04,1316 30,1317 12.712,1318 4.392,1319 3.585,1320 56.96,1321 197,1322 216,1323 0.137,1324 248.952,1325 438.47,1326 599.203,1327 50823,1329 25.614,1330 0.692,1331 0.543,1332 25.614,1333 20.092,1334 18.047,1335 0.44,1336 0.292,1337 11.726,1338 17.045,1339 11.59,1340 9.478,1341 18.047,1342 11.983,1343 16.166,1344 0.289,1345 0.152,1346 16.166,1347 8.497,1348 13.313,1349 0.185,1350 0.083,1351 13.313,1352 5.99,1353 11.041,1354 0.12,1355 0.043,1356 11.041,1357 3.985,1358 9.15,1359 0.076,1360 0.022,1361 9.15,1362 2.689,1363 0.221,1364 115.204,1365 0.189,1366 34.264,1367 0.359,1368 194,1369 651.983,1370 222.052,1371 612.095,1372 826.39,1373 574,1374 225,1375 596.167,1376 251.84,1377 595.336,1378 875.16,1379 560,1380 8.222}
{0 CHEMBL597825,1 1.655,2 15.842,3 2.208,4 4.877,5 141.627,6 7.627,7 0.429,8 4.338,9 4.463,10 3.923,11 3.784,12 5.441,13 3.799,14 4.893,15 5.075,16 4.267,17 4.162,18 6.011,19 4.153,20 5.109,21 5.319,22 4.31,23 4.305,24 6.161,25 4.267,26 5.125,27 5.358,28 4.265,29 4.267,30 6.23,31 4.222,32 5.082,33 5.311,34 4.269,35 4.234,36 6.206,37 4.202,38 5.013,39 5.221,40 4.239,41 4.258,42 6.054,43 4.217,44 5.077,45 5.281,46 4.233,47 4.355,48 6.059,49 4.28,50 5.241,51 5.477,52 4.189,53 4.41,54 6.262,55 4.275,56 0.114,57 1.073,58 13.722,59 5.337,60 10.044,61 7.314,62 0.739,63 1.646,64 28.045,65 9.008,66 47.165,67 12.352,68 0.716,69 1.93,70 36.341,71 10.904,72 55.97,73 16.028,74 0.693,75 1.945,76 37.517,77 10.394,78 74.912,79 15.922,80 0.82,81 1.85,82 36.264,83 9.661,84 80.742,85 14.906,86 0.63,87 1.835,88 31.952,89 9.799,90 49.905,91 14.315,92 0.631,93 1.926,94 33.518,95 11.703,96 41.718,97 16.795,98 0.756,99 2.01,100 42.179,101 16.486,102 96.664,103 23.319,104 12,105 57,106 0.26,107 0.567,108 0.672,109 0.699,110 0.718,111 0.732,112 3.668,113 0.894,114 -3.62,115 -3.59,116 -3.42,119 38.2,124 1,125 8,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 7,175 3,178 3,179 1,180 5,183 8,186 2,187 6,192 6,195 4,198 3,199 13,204 8,211 4,212 10,217 4,224 8,227 3,228 1,229 2,232 4,236 4,237 2,245 8,249 3,250 4,253 7,254 1,258 8,263 4,271 4,275 3060,276 26.179,277 26.179,278 26.179,279 26.179,280 26.179,281 23.901,282 36.99,283 15.683,284 27.039,285 20.718,286 20.718,287 20.718,288 20.718,289 20.718,290 17.064,291 53.745,292 7.443,293 22.011,294 4.433,295 2.474,296 1.805,297 1.629,298 1.511,299 1.423,300 4.376,306 1316,307 3.674,311 697.855,318 2.499,319 40.547,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.69,330 84,331 602,332 4.394,333 3.567,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.193,342 3.545,343 6.024,344 3.828,345 2.83,346 3.773,347 1.058,348 8.666,349 2.824,350 4.065,351 3.246,352 6.022,353 3.709,354 2.747,355 3.597,356 0.86,357 8.629,358 2.616,359 3.853,360 3.013,361 6.016,362 3.591,363 2.684,364 3.162,365 0.86,366 8.552,367 2.473,368 3.795,369 2.811,370 5.556,371 3.54,372 2.573,373 3.007,374 0.8,375 7.582,376 2.432,377 3.671,378 2.566,379 5.309,380 3.31,381 2.342,382 2.972,383 0.8,384 6.864,385 2.261,386 3.354,387 2.449,388 4.731,389 2.936,390 1.975,391 2.56,392 0.247,393 5.232,394 1.905,395 3.086,396 2.297,397 4.611,398 2.798,399 1.847,400 2.172,402 4.891,403 1.728,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.88,411 4.065,412 1.488,413 2.833,414 1.889,415 4.19,416 2.398,417 1.42,418 1.879,420 3.689,421 1.382,422 2.73,423 1.715,424 4.092,425 2.281,426 1.351,427 1.8,428 3.454,429 1.246,430 2.5,431 1.288,432 3.508,433 2,434 1.086,435 1.5,436 2.669,437 1,438 2.5,439 1.274,440 3.472,441 2,442 1,443 1.5,445 2.509,446 1,447 2.231,448 1.256,449 3.414,450 1.965,451 1,452 1.213,454 2.275,455 0.949,456 2.166,457 1.256,458 3.414,459 1.952,460 1,461 1.132,463 2.275,464 0.946,465 17.533,466 0.461,467 0.759,468 0.02,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 31.889,476 0.839,477 41.867,478 0.616,479 42.498,480 1.118,481 10.15,482 0.267,483 8.435,484 0.222,485 0.067,487 0.302,493 0.859,494 1.63,495 0.758,496 1.252,497 0.604,498 1.016,499 1.015,500 0.912,501 0.929,502 0.893,503 0.627,504 0.899,505 1.094,506 1.206,507 0.986,508 1,509 0.921,510 0.975,511 1.027,512 1.14,513 1.018,514 1.003,515 1.177,516 0.988,517 1.051,518 1.051,519 0.968,520 0.858,521 1.23,522 0.871,523 0.986,524 1.051,525 1.071,526 0.998,527 0.923,528 1.024,529 0.752,530 1.053,531 1.12,532 1.153,533 0.623,534 1.188,535 0.355,536 0.997,537 0.947,538 1.335,539 0.353,540 1.291,541 7,542 0.182,543 3.778,544 1.688,545 1.48,546 1.694,547 0.768,548 0.297,549 0.335,550 0.334,551 25692,552 71527,553 2.129,554 44.1,556 27,559 3,564 1.785,565 2.036,566 3.88,567 0.843,573 112.529,574 1.655,575 3.614,576 4.282,577 4.459,578 4.576,579 4.665,580 3.35,581 4.281,582 5.216,583 4.12,584 2896.44,585 9.174,586 50640.7,591 413.947,592 1.226,593 5.198,594 0.167,595 0.006,596 0.066,597 0.029,598 0.027,599 0.03,600 0.014,601 0.005,602 0.007,603 0.009,604 0.36,605 0.33,606 0.63,607 0.703,608 214.683,609 -0.08,610 -0.359,611 0.062,612 -0.154,613 -0.041,614 -0.036,615 0.056,616 0.228,617 0.006,618 0.095,619 0.075,620 0.036,621 -0.119,622 -0.154,623 -0.031,624 -0.006,625 -0.041,626 -0.004,627 -0.126,628 -0.08,629 -0.052,630 -0.056,631 -0.084,632 -0.036,633 -0.068,634 0.008,635 0.009,636 0.082,637 -0.09,638 0.071,639 -0.127,640 0.078,641 -0.148,642 -0.015,643 -0.102,644 -0.069,645 -0.021,646 0.06,647 -0.224,648 -0.114,649 -0.048,650 -0.188,651 0.312,652 -0.045,653 -0.013,654 -0.25,655 0.289,656 -0.214,657 2.06,658 5.485,659 0.789,660 51.684,661 1.012,662 1.138,663 2.385,664 5.688,665 0.651,666 3.761,667 4.06,668 4.317,669 4.554,670 4.812,671 4.883,672 5.081,673 5.198,674 5.303,675 5.425,676 9.223,677 0.63,678 518.64,679 3.761,680 5.293,681 6.133,682 6.995,683 7.85,684 8.717,685 9.579,686 10.45,687 11.317,688 12.191,689 11.8,695 2,696 3,699 3,702 1,704 8,705 3,709 7,711 18,718 1,726 2,731 68,733 20,734 2,735 42,737 72,738 26,739 15,740 4,741 8,742 1,746 5,747 5,751 1,761 17,762 9,766 2,771 2,775 2,781 30,782 12,783 3,784 12,790 8,794 1,795 4,812 5,839 2,840 5,844 1,848 38,854 8,855 3,856 2,859 2,870 5.9,873 2,874 2,877 18.667,878 12.333,879 8.444,880 4.015,881 3.371,882 1.404,883 0.985,884 8.533,885 11.712,886 3.989,887 4.516,888 5.039,889 5.575,890 6.128,891 6.379,892 6.799,893 7.124,894 7.396,895 7.757,896 1,897 59,898 14.062,900 5.941,901 7.776,902 26.736,904 21.565,905 2.276,906 86.5,910 317.82,911 137.99,912 110.637,914 72.29,917 137.99,918 390.109,919 110.637,920 8.396,921 80.825,922 75.81,923 127.351,924 20.461,925 8.074,926 317.82,928 317.82,929 248.627,930 72.29,933 320.148,934 50.29,935 22,937 84.623,938 111.32,939 50.357,941 317.82,942 182.927,943 137.99,946 317.82,947 53.784,948 90.455,949 54.032,950 122.646,951 317.82,952 182.927,953 137.99,955 0.573,956 0.333,957 0.177,958 0.098,959 26,960 11,961 0.083,962 6,964 1,965 4.934,966 363.791,968 30,969 167.421,974 26.164,975 12.393,976 6.714,978 182.927,979 13.984,980 14.267,984 4.336,986 54.032,987 638.737,988 53,993 24.164,997 -0.58,999 68.843,1000 77.391,1001 0.272,1002 0.594,1003 0.703,1004 0.732,1005 0.752,1006 0.766,1007 5.223,1008 1.847,1009 6.094,1010 5.232,1011 4.745,1012 5.204,1013 2.559,1014 6.86,1015 4.635,1016 6.388,1017 1.697,1018 7.621,1019 4.891,1020 4.205,1021 4.879,1022 1.404,1023 7.644,1024 4.068,1025 7.669,1026 1.42,1027 9.246,1028 4.065,1029 6.297,1030 7.285,1031 2.822,1032 10.719,1033 6.087,1034 8.98,1035 1.351,1036 10.928,1037 3.689,1038 6.581,1039 7.764,1040 2.382,1041 12.322,1042 6.343,1043 10.324,1044 1.086,1045 12.647,1046 3.454,1047 8.107,1048 9.649,1049 3.421,1050 14.879,1051 7.803,1052 11.688,1053 1,1054 14.39,1055 2.669,1056 8.781,1057 10.511,1058 3.421,1059 16.825,1060 8.442,1061 13.069,1062 1,1063 16.151,1064 2.509,1065 10.058,1066 12.161,1067 4.226,1068 19.189,1069 9.661,1070 3.07,1071 1,1072 17.925,1073 2.275,1074 10.93,1075 13.23,1076 4.467,1077 21.293,1078 10.489,1079 2.83,1080 9.93,1081 19.708,1082 2.275,1083 12.093,1084 14.757,1085 5.139,1086 23.583,1087 11.598,1088 2.747,1089 8.666,1090 21.498,1091 4.05,1092 13.066,1093 15.948,1094 5.504,1095 25.764,1096 12.523,1097 2.684,1098 8.629,1099 23.294,1100 3.773,1101 14.178,1102 17.408,1103 6.102,1104 28.028,1105 13.583,1106 2.573,1107 8.552,1108 25.094,1109 3.597,1110 15.204,1111 18.672,1112 6.531,1113 30.249,1114 14.557,1115 2.342,1116 7.582,1117 26.898,1118 3.162,1119 16.297,1120 20.095,1121 7.088,1122 32.509,1123 15.597,1124 1.975,1125 6.864,1126 28.706,1127 3.007,1128 17.353,1129 21.405,1130 7.551,1131 34.752,1132 16.598,1133 24072,1134 40322,1135 28.72,1136 44.239,1137 62.157,1138 64.69,1139 63.296,1140 61.933,1141 61.94,1142 77.193,1143 12.563,1144 172.356,1145 58.505,1146 5.394,1147 5.567,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 15.365,1156 1.48,1157 1.54,1158 1.507,1159 1.475,1160 1.475,1161 1.838,1162 0.299,1163 4.104,1164 1.393,1165 4.018,1166 4.063,1167 3.977,1168 3.903,1169 7.432,1170 3.911,1171 3.929,1172 3.961,1173 3.881,1174 3.845,1175 7.428,1176 3.847,1177 3.832,1178 3.879,1179 3.765,1180 3.637,1181 5.077,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.734,1188 3.533,1189 3.566,1190 3.619,1191 3.494,1192 3.323,1193 4.692,1194 3.358,1195 3.498,1196 3.564,1197 3.418,1198 3.238,1199 4.616,1200 3.276,1201 3.343,1202 3.401,1203 3.253,1204 3.057,1205 4.589,1206 3.099,1207 3.111,1208 3.206,1209 2.871,1210 2.941,1211 4.186,1212 2.91,1213 0.105,1214 0.085,1215 0.152,1216 0.095,1217 0.073,1218 4.394,1219 0.096,1220 3.567,1221 0.039,1222 6.383,1223 0.236,1224 3.994,1225 0.068,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.934,1232 1.904,1233 2.025,1234 2.081,1235 1.208,1236 2.058,1237 1.905,1238 1.879,1239 2.002,1240 2.021,1241 1.187,1242 2.014,1243 1.757,1244 1.699,1245 1.93,1246 1.956,1247 1.104,1248 1.955,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.088,1254 1.926,1255 1.45,1256 1.397,1257 1.681,1258 1.731,1259 0.825,1260 1.705,1261 1.398,1262 1.33,1263 1.535,1264 1.681,1265 0.825,1266 1.658,1267 1.221,1268 1.16,1269 1.513,1270 1.526,1271 0.682,1272 1.49,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.515,1278 1.429,1279 4.443,1281 5.746,1283 7.248,1285 8.831,1287 10.455,1289 1.57,1295 5.417,1296 8.143,1297 10.978,1300 4.222,1305 42.825,1306 112.529,1307 245.727,1308 291.193,1309 303.193,1310 311.193,1311 317.193,1312 65.327,1313 8.341,1314 133.84,1315 133.84,1316 30,1317 12.733,1318 4.392,1319 3.585,1320 59.353,1321 210,1322 240,1323 0.134,1324 261.342,1325 457.98,1326 629.435,1327 55622,1329 26.321,1330 0.693,1331 0.556,1332 26.321,1333 21.145,1334 18.585,1335 0.442,1336 0.298,1337 12.242,1338 17.575,1339 12.045,1340 9.899,1341 18.585,1342 12.509,1343 16.307,1344 0.286,1345 0.154,1346 16.307,1347 8.771,1348 13.819,1349 0.187,1350 0.084,1351 13.819,1352 6.233,1353 11.277,1354 0.12,1355 0.044,1356 11.277,1357 4.138,1358 9.329,1359 0.076,1360 0.023,1361 9.329,1362 2.777,1363 0.217,1364 118.413,1365 0.187,1366 35.076,1367 0.349,1368 198,1369 638.166,1370 225.226,1371 601.019,1372 818.35,1373 566,1374 230,1375 594.545,1376 256.843,1377 595.042,1378 874.92,1379 560,1380 8.824}
{0 CHEMBL599246,1 1.723,2 14.229,3 3.206,4 10.278,5 128.366,6 7.862,7 0.462,8 4.24,9 4.361,10 3.853,11 3.694,12 5.356,13 3.715,14 4.799,15 4.974,16 4.203,17 4.07,18 5.947,19 4.07,20 5.025,21 5.241,22 4.218,23 4.196,24 6.087,25 4.163,26 5.007,27 5.25,28 4.153,29 4.138,30 6.077,31 4.095,32 4.951,33 5.18,34 4.195,35 4.104,36 6.102,37 4.087,38 4.882,39 5.072,40 4.178,41 4.151,42 5.966,43 4.133,44 4.985,45 5.177,46 4.191,47 4.287,48 6.097,49 4.216,50 5.173,51 5.414,52 4.075,53 4.35,54 6.076,55 4.206,56 0.131,57 1.027,58 11.661,59 4.939,60 10.562,61 6.399,62 0.685,63 1.59,64 24.483,65 8.36,66 43.095,67 10.805,68 0.805,69 1.879,70 33.433,71 9.968,72 61.637,73 14.007,74 0.68,75 1.8,76 33.245,77 9.321,78 63.236,79 14.037,80 0.845,81 1.666,82 31.414,83 8.209,84 75.584,85 12.566,86 0.604,87 1.704,88 26.56,89 8.241,90 47.642,91 11.281,92 0.782,93 1.842,94 29.191,95 10.805,96 71.81,97 14.957,98 0.613,99 1.919,100 39.172,101 16.07,102 65.335,103 22.334,104 5,105 53,106 0.277,107 0.571,108 0.652,109 0.694,110 0.71,111 0.715,112 3.588,113 0.884,114 -4.41,115 -4.35,116 -4.1,119 39.3,125 8,142 8,143 1,144 3,149 1,150 2,159 1,172 6,174 7,175 2,178 2,179 1,180 4,183 6,186 2,187 4,192 4,195 4,198 3,199 11,204 5,211 4,212 10,217 4,224 7,227 2,229 1,232 4,236 4,237 2,245 8,249 2,250 4,253 5,258 6,263 4,271 2,275 2472,276 24.101,277 24.101,278 24.101,279 24.101,280 24.101,281 21.863,282 34.26,283 14.546,284 24.967,285 19.329,286 19.329,287 19.329,288 19.329,289 19.329,290 15.887,291 51.216,292 7.029,293 20.733,294 4.207,295 2.373,296 1.869,297 1.607,298 1.508,299 1.475,300 4.299,304 1,305 1,306 1099,307 3.082,311 624.08,318 2.266,319 40.279,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 78,331 498,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.084,342 3.246,343 6.024,344 3.723,345 2.763,346 3.637,347 0.86,348 8.666,349 2.631,350 4.021,351 3.013,352 6.016,353 3.63,354 2.684,355 3.588,356 0.86,357 8.629,358 2.556,359 3.795,360 2.917,361 5.582,362 3.591,363 2.668,364 3.078,365 0.8,366 7.67,367 2.432,368 3.769,369 2.809,370 5.361,371 3.418,372 2.46,373 2.972,374 0.8,375 7.022,376 2.349,377 3.519,378 2.477,379 4.961,380 3.121,381 2.173,382 2.81,383 0.247,384 5.891,385 2.051,386 3.242,387 2.379,388 4.71,389 2.861,390 1.939,391 2.444,393 5.164,394 1.784,395 3.08,396 2.293,397 4.563,398 2.748,399 1.777,400 2.165,402 4.773,403 1.697,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.879,411 4.065,412 1.488,413 2.732,414 1.716,415 4.184,416 2.286,417 1.366,418 1.808,420 3.666,421 1.25,422 2.5,423 1.288,424 3.508,425 2,426 1.086,427 1.5,428 2.669,429 1,430 2.5,431 1.274,432 3.472,433 2,434 1,435 1.5,436 2.509,437 1,438 2.231,439 1.256,440 3.414,441 1.965,442 1,443 1.213,445 2.275,446 0.949,447 2.166,448 1.256,449 3.414,450 1.952,451 1,452 1.132,454 2.275,455 0.946,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.086,466 0.46,467 0.708,468 0.02,469 46.5,470 1.329,471 21.5,472 0.614,473 25,474 0.714,475 28.512,476 0.815,477 38.514,478 0.631,479 37.679,480 1.077,481 9.392,482 0.268,483 7.744,484 0.221,485 0.038,487 0.298,491 1,493 0.789,494 1.451,495 0.714,496 1.235,497 0.57,498 1,499 0.972,500 0.926,501 0.922,502 0.941,503 0.604,504 0.933,505 1.107,506 1.142,507 1.031,508 0.968,509 0.942,510 0.976,511 0.859,512 1.039,513 0.962,514 0.97,515 0.853,516 0.961,517 0.865,518 0.844,519 0.884,520 0.767,521 0.945,522 0.795,523 1.083,524 0.991,525 1.122,526 0.97,527 1.024,528 1.013,529 0.573,530 0.883,531 1.12,532 1.156,533 0.404,534 1.239,535 0.37,536 0.911,537 0.942,538 1.356,539 0.375,540 1.325,541 6.5,542 0.149,543 3.111,544 1.438,545 1.4,546 1.486,547 0.728,548 0.203,549 0.31,550 0.294,551 20213,552 59141,553 2.158,554 42.6,556 24,559 2,564 1.767,565 2.079,566 3.735,567 0.247,573 105.118,574 1.723,575 3.558,576 4.062,577 4.324,578 4.423,579 4.455,580 3.215,581 4.136,582 5.096,583 3.958,584 2354.76,585 8.948,586 37992.1,591 361.775,592 1.15,593 5.086,594 0.167,595 0.005,596 0.059,597 0.027,598 0.029,599 0.029,600 0.014,601 0.004,602 0.007,603 0.009,604 0.349,605 0.17,606 0.63,607 0.383,608 191.412,609 -0.071,610 -0.313,611 0.063,612 -0.16,613 -0.032,614 -0.039,615 0.013,616 0.108,617 -0.02,618 0.034,619 0.063,620 -0.01,621 -0.146,622 -0.139,623 -0.074,625 -0.076,626 -0.019,627 -0.082,628 -0.065,629 -0.006,630 -0.042,631 -0.046,632 -0.004,633 -0.002,634 0.068,635 0.073,636 0.139,637 -0.019,638 0.135,639 -0.231,640 0.055,641 -0.235,642 -0.015,643 -0.166,644 -0.094,645 0.108,646 0.132,647 -0.26,648 -0.129,649 0.143,650 -0.251,651 0.196,652 -0.076,653 -0.02,654 -0.27,655 0.117,656 -0.223,657 2.089,658 5.281,659 0.857,660 44.039,661 1.017,662 1.141,663 3.184,664 10.14,665 0.655,666 3.689,667 3.989,668 4.234,669 4.489,670 4.762,671 4.804,672 5.004,673 5.13,674 5.263,675 5.38,676 8.321,677 0.638,678 479.57,679 3.689,680 5.22,681 6.057,682 6.919,683 7.771,684 8.639,685 9.499,686 10.37,687 11.237,688 12.111,689 11.5,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,730 1,731 61,733 19,734 2,735 39,737 65,738 24,739 15,740 4,741 8,746 5,747 5,751 1,761 16,762 8,766 1,771 1,775 1,779 1,781 26,782 11,783 2,784 11,790 7,794 1,795 3,812 5,839 2,840 5,846 1,848 35,854 8,855 2,856 2,859 2,869 1,870 4.9,873 1,874 2,877 16.833,878 10.81,879 7.667,880 3.634,881 3.206,882 1.394,883 0.997,884 7.45,885 11.338,886 3.912,887 4.449,888 4.958,889 5.51,890 6.073,891 6.277,892 6.703,893 7.055,894 7.371,895 7.728,896 1,897 53,898 12.965,900 5.536,901 7.824,902 24.597,904 20.009,905 2.324,906 81.333,910 282.506,911 130.824,912 92.627,914 47.145,915 14.96,917 130.824,918 329.651,919 107.587,921 62.814,922 75.81,923 97.501,924 26.397,925 23.034,926 282.506,928 282.506,929 223.451,930 62.105,933 299.794,934 25.145,935 22,937 66.612,938 104.155,939 50.357,941 297.467,942 139.771,943 130.824,946 282.506,947 55.014,948 82.059,949 36.022,950 112.461,951 282.506,952 154.732,953 130.824,955 0.574,956 0.325,957 0.177,958 0.103,959 25,960 10,961 0.077,962 5,964 1,965 4.705,966 329.09,968 30,969 147.525,974 23.58,975 11.058,976 6.103,978 154.732,979 12.848,980 14.209,984 3.354,986 36.022,987 568.062,988 49,993 12.281,997 -0.422,999 62.043,1000 69.608,1001 0.291,1002 0.6,1003 0.685,1004 0.729,1005 0.746,1006 0.751,1007 5.145,1008 1.777,1009 6.014,1010 5.164,1011 4.673,1012 5.136,1013 2.368,1014 6.77,1015 4.542,1016 6.308,1017 1.697,1018 7.531,1019 4.773,1020 4.111,1021 4.783,1022 1.404,1023 7.516,1024 3.916,1025 7.584,1026 1.366,1027 9.144,1028 4.065,1029 6.213,1030 7.214,1031 2.66,1032 10.6,1033 5.957,1034 8.89,1035 1.086,1036 10.814,1037 3.666,1038 6.463,1039 7.653,1040 2.382,1041 12.178,1042 6.139,1043 10.227,1044 1,1045 12.522,1046 2.669,1047 8.006,1048 9.568,1049 3.324,1050 14.746,1051 7.627,1052 11.584,1053 1,1054 14.255,1055 2.509,1056 8.653,1057 10.394,1058 3.421,1059 16.684,1060 8.201,1061 12.958,1062 1,1063 16.008,1064 2.275,1065 9.942,1066 12.068,1067 4.179,1068 19.058,1069 9.435,1070 3.07,1071 1,1072 17.774,1073 2.275,1074 10.797,1075 13.111,1076 4.467,1077 21.165,1078 10.214,1079 2.763,1080 9.93,1081 19.551,1082 2.136,1083 11.967,1084 14.655,1085 5.118,1086 23.464,1087 11.327,1088 2.684,1089 8.666,1090 21.337,1091 4.05,1092 12.932,1093 15.829,1094 5.504,1095 25.653,1096 12.216,1097 2.668,1098 8.629,1099 23.129,1100 3.637,1101 14.049,1102 17.3,1103 6.093,1104 27.926,1105 13.273,1106 2.46,1107 7.67,1108 24.928,1109 3.588,1110 15.073,1111 18.554,1112 6.531,1113 30.156,1114 14.221,1115 2.173,1116 7.022,1117 26.731,1118 3.078,1119 16.17,1120 19.984,1121 7.084,1122 32.424,1123 15.254,1124 1.939,1125 5.891,1126 28.538,1127 2.972,1128 17.226,1129 21.288,1130 7.551,1131 34.676,1132 16.235,1133 18754,1134 32261,1135 26.929,1136 39.955,1137 57.993,1138 59.615,1139 58.288,1140 57.798,1141 57.77,1142 72.02,1143 10.446,1144 159.949,1145 53.97,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 11.753,1156 1.487,1157 1.529,1158 1.495,1159 1.482,1160 1.481,1161 1.847,1162 0.268,1163 4.101,1164 1.384,1165 4.013,1166 4.06,1167 3.974,1168 3.895,1169 8.201,1170 3.904,1171 3.905,1172 3.942,1173 3.857,1174 3.814,1175 7.431,1176 3.817,1177 3.83,1178 3.875,1179 3.762,1180 3.637,1181 5.077,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.71,1188 3.533,1189 3.556,1190 3.61,1191 3.479,1192 3.319,1193 4.659,1194 3.353,1195 3.394,1196 3.438,1197 3.345,1198 3.106,1199 4.616,1200 3.162,1201 3.111,1202 3.206,1203 2.91,1204 2.941,1205 4.587,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.028,1212 2.91,1213 0.113,1214 0.091,1215 0.164,1216 0.102,1217 0.079,1218 4.394,1219 0.104,1220 3.562,1221 0.042,1222 6.383,1223 0.255,1224 3.994,1225 0.073,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.932,1232 1.901,1233 2.022,1234 2.081,1235 1.208,1236 2.058,1237 1.875,1238 1.846,1239 1.978,1240 2.003,1241 1.187,1242 1.994,1243 1.756,1244 1.699,1245 1.93,1246 1.948,1247 1.1,1248 1.95,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.045,1254 1.926,1255 1.444,1256 1.391,1257 1.535,1258 1.707,1259 0.825,1260 1.667,1261 1.238,1262 1.193,1263 1.513,1264 1.548,1265 0.825,1266 1.498,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.514,1272 1.429,1273 1.153,1274 1.064,1275 1.357,1276 1.376,1277 0.312,1278 1.429,1279 4.369,1281 5.673,1283 7.172,1285 8.753,1287 10.376,1291 13.051,1295 5.414,1296 5.439,1297 10.948,1300 4.211,1305 38.945,1306 105.118,1307 217.02,1308 247.775,1309 263.775,1310 269.775,1311 271.775,1312 58.192,1313 8.132,1314 104.74,1315 104.74,1316 30,1317 12.653,1318 4.322,1319 3.459,1320 52.293,1321 172,1322 204,1323 0.143,1324 235.493,1325 412.3,1326 566.362,1327 41755,1328 1.6,1329 24.037,1330 0.687,1331 0.546,1332 23.167,1333 19.114,1334 17.136,1335 0.439,1336 0.295,1337 11.241,1338 16.158,1339 11.118,1340 9.081,1341 16.742,1342 11.494,1343 15.267,1344 0.288,1345 0.153,1346 14.645,1347 8.121,1348 12.614,1349 0.186,1350 0.084,1351 12.204,1352 5.703,1353 10.516,1354 0.119,1355 0.043,1356 10.374,1357 3.822,1358 8.964,1359 0.077,1360 0.022,1361 8.673,1362 2.596,1363 0.229,1364 109.451,1365 0.193,1366 32.631,1367 0.38,1368 184,1369 642.209,1370 211.455,1371 579.979,1372 783.87,1373 546,1374 213,1375 566.834,1376 239.428,1377 560.327,1378 824.2,1379 528,1380 8.187}
{0 CHEMBL599258,1 1.688,2 13.5,3 1.382,4 1.911,5 125.856,6 7.857,7 0.474,8 4.215,9 4.342,10 3.832,11 3.641,12 5.332,13 3.67,14 4.767,15 4.948,16 4.163,17 4.014,18 5.881,19 4.019,20 4.975,21 5.193,22 4.172,23 4.147,24 5.986,25 4.114,26 4.962,27 5.207,28 4.127,29 4.102,30 6.011,31 4.06,32 4.924,33 5.153,34 4.175,35 4.074,36 6.078,37 4.06,38 4.847,39 5.04,40 4.157,41 4.123,42 5.926,43 4.102,44 4.951,45 5.147,46 4.136,47 4.257,48 5.922,49 4.184,50 5.151,51 5.396,52 4.055,53 4.311,54 6.044,55 4.169,56 0.142,57 0.967,58 11.416,59 4.395,60 10.225,61 6.013,62 0.69,63 1.457,64 23.884,65 7.323,66 41.541,67 10.05,68 0.757,69 1.682,70 31.512,71 8.757,72 47.759,73 13.151,74 0.618,75 1.653,76 31.394,77 8.505,78 51.527,79 13.439,80 0.831,81 1.579,82 30.452,83 7.645,84 74.172,85 11.961,86 0.591,87 1.603,88 25.401,89 7.696,90 42.968,91 11.045,92 0.586,93 1.739,94 27.854,95 10.152,96 33.631,97 14.395,98 0.587,99 1.807,100 38.354,101 15.03,102 59.226,103 21.522,104 2,105 51,106 0.273,107 0.589,108 0.689,109 0.726,110 0.731,111 0.731,112 3.56,113 0.877,114 -3.26,115 -3.24,116 -3.11,119 37.3,125 8,142 5,143 1,144 2,145 2,149 1,150 2,159 1,166 1,172 4,174 7,175 3,178 2,179 1,180 3,183 4,186 2,187 5,190 1,192 2,195 2,198 3,199 10,202 1,204 4,211 5,212 8,215 1,217 2,223 1,224 7,227 3,229 1,232 2,236 4,237 4,245 2,249 2,250 8,253 5,258 1,263 7,275 2300,276 23.654,277 23.654,278 23.654,279 23.654,280 23.654,281 21.44,282 32.632,283 14.459,284 24.524,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 15.483,291 50.554,292 6.994,293 20.239,294 4.195,295 2.238,296 1.621,297 1.39,298 1.356,299 1.356,300 4.274,304 1,305 1,306 1016,307 3,311 600.171,318 2.147,319 33.223,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 75.5,331 459,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.074,342 3.246,343 6.024,344 3.718,345 2.759,346 3.601,347 0.86,348 8.666,349 2.623,350 3.954,351 3.013,352 6.016,353 3.591,354 2.684,355 3.471,356 0.86,357 8.629,358 2.515,359 3.795,360 2.811,361 5.567,362 3.591,363 2.631,364 3.056,365 0.8,366 7.631,367 2.432,368 3.726,369 2.552,370 5.323,371 3.358,372 2.397,373 2.972,374 0.8,375 6.923,376 2.299,377 3.395,378 2.446,379 4.732,380 2.966,381 2,382 2.626,383 0.247,384 5.246,385 1.931,386 3.089,387 2.297,388 4.612,389 2.806,390 1.871,391 2.18,393 4.907,394 1.731,395 2.854,396 2.25,397 4.283,398 2.577,399 1.697,400 1.987,402 4.065,403 1.488,404 2.838,405 1.716,406 4.187,407 2.366,408 1.422,409 1.879,411 3.679,412 1.34,413 2.729,414 1.519,415 3.569,416 2.273,417 1.34,418 1.802,420 2.985,421 1.241,422 2.5,423 1.288,424 3.508,425 2,426 1.085,427 1.5,428 2.668,429 1,430 2.5,431 1.273,432 3.472,433 1.965,434 1,435 1.5,436 2.509,437 0.957,438 2.231,439 1.256,440 3.414,441 1.959,442 1,443 1.213,445 2.275,446 0.948,447 2.166,448 1.256,449 3.247,450 1.952,451 1,452 1.132,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.6,466 0.459,467 0.602,468 0.018,469 46.25,470 1.36,471 21.5,472 0.632,473 24.75,474 0.728,475 26.864,476 0.79,477 37.2,478 0.631,479 36.283,480 1.067,481 9.302,482 0.274,483 7.44,484 0.219,485 0.021,487 0.276,493 0.867,494 1.655,495 0.72,496 1.289,497 0.617,498 1.016,499 1.122,500 0.982,501 0.953,502 0.927,503 0.702,504 0.919,505 1.141,506 1.151,507 1.028,508 0.958,509 0.988,510 0.968,511 0.85,512 1.094,513 0.941,514 0.997,515 0.919,516 0.967,517 1.035,518 0.969,519 0.924,520 0.783,521 1.407,522 0.805,523 1.082,524 1.047,525 1.106,526 1,527 1.106,528 1.029,529 0.719,530 1.066,531 1.173,532 1.238,533 0.568,534 1.281,535 0.382,536 1.044,537 0.95,538 1.416,539 0.373,540 1.341,541 5.5,542 0.14,543 2.667,544 1.375,545 1.209,546 1.431,547 0.647,548 0.179,549 0.261,550 0.254,551 18600,552 53172,553 2.182,554 42.4,556 21,558 2,559 2,564 1.76,565 2.125,566 3.672,567 0.293,569 1,573 99.588,574 1.688,575 3.645,576 4.262,577 4.493,578 4.527,579 4.527,580 3.072,581 3.922,582 5.054,583 3.893,584 2184.21,585 8.869,586 34322.1,591 347.076,592 1.012,593 5.053,594 0.145,595 0.005,596 0.052,597 0.027,598 0.025,599 0.028,600 0.013,601 0.004,602 0.006,603 0.008,604 0.313,605 0.33,606 0.63,607 0.299,608 183.771,609 -0.055,610 -0.384,611 0.076,612 -0.199,613 0.003,614 -0.058,615 -0.002,616 0.14,617 -0.028,618 0.054,619 0.074,621 -0.148,622 -0.119,623 -0.068,624 0.022,625 -0.096,626 -0.006,627 -0.053,628 -0.059,629 0.018,630 -0.043,631 -0.006,632 0.003,633 -0.014,634 0.07,635 0.054,636 0.151,637 -0.027,638 0.129,639 -0.183,640 0.107,641 -0.214,642 -0.011,643 -0.119,644 -0.094,645 -0.022,646 0.061,647 -0.309,648 -0.168,649 -0.062,650 -0.273,651 0.241,652 -0.119,653 -0.006,654 -0.298,655 0.195,656 -0.228,657 2.037,658 5.241,659 0.882,660 41.785,661 1.016,662 1.143,663 2.026,664 4.103,665 0.653,666 3.664,667 3.951,668 4.205,669 4.466,670 4.727,671 4.771,672 4.977,673 5.118,674 5.242,675 5.361,676 8.018,677 0.636,678 463.56,679 3.664,680 5.187,681 6.023,682 6.882,683 7.734,684 8.601,685 9.461,686 10.332,687 11.198,688 12.072,689 15.3,695 2,696 2,699 5,702 1,704 7,705 5,709 6,711 18,726 2,731 59,733 19,734 1,735 38,737 63,738 22,739 13,740 2,741 4,746 5,747 5,751 1,761 14,762 8,766 1,771 1,775 1,778 1,781 25,782 12,783 2,784 12,790 9,794 1,795 3,804 1,812 5,839 2,840 5,848 34,854 8,855 2,856 2,859 2,870 5.1,873 1,874 2,877 16,878 10.483,879 7.5,880 3.494,881 3.166,882 1.393,883 0.99,884 7.171,885 11.217,886 3.892,887 4.413,888 4.925,889 5.482,890 6.033,891 6.235,892 6.677,893 7.05,894 7.358,895 7.715,896 0.889,897 51,898 12.541,900 5.287,901 7.725,902 23.917,904 19.289,905 2.225,906 75.667,910 270.735,911 111.369,912 125.953,914 47.145,917 111.369,918 317.88,919 125.953,921 62.814,922 47.381,923 154.37,924 35.37,925 8.074,926 247.193,928 270.735,929 237.322,930 47.145,933 273.063,934 25.145,935 22,937 84.707,938 66.605,939 83.683,941 270.735,942 173.097,943 111.369,946 270.735,947 45.893,948 71.725,949 36.022,950 130.827,951 270.735,952 173.097,953 111.369,955 0.568,956 0.324,957 0.18,958 0.102,959 24,960 9,961 0.079,962 5,964 1,965 4.643,966 317.081,968 30,969 144.974,974 22.565,975 10.804,976 5.838,978 173.097,979 12.028,980 21.669,984 3.886,986 36.022,987 555.202,988 48,993 12.241,997 -0.37,999 59.967,1000 67.435,1001 0.287,1002 0.62,1003 0.725,1004 0.764,1005 0.77,1006 0.77,1007 5.115,1008 1.697,1009 5.969,1010 4.907,1011 4.635,1012 5.1,1013 2.368,1014 6.72,1015 4.503,1016 6.267,1017 1.422,1018 7.479,1019 4.065,1020 4.007,1021 4.663,1022 1.404,1023 7.455,1024 3.828,1025 7.534,1026 1.34,1027 9.089,1028 3.679,1029 6.163,1030 7.159,1031 2.66,1032 10.559,1033 5.904,1034 8.833,1035 1.085,1036 10.759,1037 2.985,1038 6.382,1039 7.543,1040 2.382,1041 12.147,1042 6.069,1043 10.165,1044 1,1045 12.469,1046 2.668,1047 7.955,1048 9.503,1049 3.324,1050 14.72,1051 7.569,1052 11.52,1053 1,1054 14.207,1055 2.509,1056 8.59,1057 10.294,1058 3.421,1059 16.668,1060 8.141,1061 12.892,1062 1,1063 15.964,1064 2.275,1065 9.895,1066 11.996,1067 4.179,1068 19.043,1069 9.378,1070 3.07,1071 1,1072 17.736,1073 2.136,1074 10.746,1075 13.019,1076 4.467,1077 21.155,1078 10.16,1079 2.759,1080 9.93,1081 19.517,1082 2.136,1083 11.925,1084 14.581,1085 5.118,1086 23.456,1087 11.272,1088 2.684,1089 8.666,1090 21.307,1091 4.05,1092 12.89,1093 15.743,1094 5.504,1095 25.647,1096 12.165,1097 2.631,1098 8.629,1099 23.104,1100 3.601,1101 14.012,1102 17.226,1103 6.093,1104 27.922,1105 13.221,1106 2.397,1107 7.631,1108 24.906,1109 3.471,1110 15.037,1111 18.474,1112 6.531,1113 30.152,1114 14.173,1115 2,1116 6.923,1117 26.712,1118 3.056,1119 16.138,1120 19.913,1121 7.084,1122 32.421,1123 15.205,1124 1.871,1125 5.246,1126 28.522,1127 2.972,1128 17.196,1129 21.215,1130 7.551,1131 34.674,1132 16.19,1133 17184,1134 29244,1135 26.523,1136 38.506,1137 56.222,1138 57.475,1139 56.235,1140 56.07,1141 56.08,1142 70.139,1143 10.446,1144 153.484,1145 52.398,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 7.824,1156 1.48,1157 1.512,1158 1.48,1159 1.476,1160 1.476,1161 1.846,1162 0.275,1163 4.039,1164 1.379,1165 4.009,1166 4.058,1167 3.971,1168 3.889,1169 7.431,1170 3.899,1171 3.853,1172 3.91,1173 3.806,1174 3.674,1175 5.083,1176 3.695,1177 3.817,1178 3.865,1179 3.751,1180 3.637,1181 5.051,1182 3.665,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.702,1188 3.533,1189 3.551,1190 3.606,1191 3.472,1192 3.316,1193 4.616,1194 3.349,1195 3.366,1196 3.415,1197 3.317,1198 3.062,1199 4.591,1200 3.122,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.116,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.022,1212 2.91,1213 0.116,1214 0.094,1215 0.168,1216 0.105,1217 0.081,1218 4.394,1219 0.107,1220 3.562,1221 0.044,1222 6.383,1223 0.261,1224 3.994,1225 0.075,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.93,1232 1.9,1233 2.02,1234 2.081,1235 1.208,1236 2.057,1237 1.771,1238 1.719,1239 1.931,1240 1.987,1241 1.187,1242 1.969,1243 1.748,1244 1.694,1245 1.903,1246 1.933,1247 1.099,1248 1.926,1249 1.679,1250 1.619,1251 1.864,1252 1.933,1253 0.86,1254 1.921,1255 1.442,1256 1.388,1257 1.533,1258 1.703,1259 0.825,1260 1.663,1261 1.203,1262 1.154,1263 1.513,1264 1.53,1265 0.825,1266 1.475,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.512,1272 1.429,1273 1.153,1274 1.064,1275 1.33,1276 1.376,1277 0.291,1278 1.429,1279 4.344,1281 5.638,1283 7.133,1285 8.712,1287 10.333,1295 5.511,1296 5.507,1297 10.958,1300 4.236,1305 37.551,1306 99.588,1307 215.06,1308 251.466,1309 265.076,1310 267.076,1311 267.076,1312 48.207,1313 8.052,1314 130.52,1315 130.52,1316 30,1317 12.614,1318 4.322,1319 3.459,1320 50.021,1321 160,1322 182,1323 0.147,1324 228.698,1325 393.63,1326 549.784,1327 37484,1329 23.167,1330 0.681,1331 0.546,1332 23.167,1333 18.554,1334 16.742,1335 0.441,1336 0.292,1337 10.852,1338 15.732,1339 10.737,1340 8.786,1341 16.742,1342 11.111,1343 14.645,1344 0.287,1345 0.152,1346 14.645,1347 7.745,1348 12.204,1349 0.185,1350 0.082,1351 12.204,1352 5.443,1353 10.374,1354 0.121,1355 0.042,1356 10.374,1357 3.653,1358 8.673,1359 0.077,1360 0.022,1361 8.673,1362 2.445,1363 0.234,1364 107.222,1365 0.194,1366 31.809,1367 0.392,1368 178,1369 587.388,1370 204.399,1371 552.715,1372 756.88,1373 522,1374 206,1375 557.258,1376 232.46,1377 554.814,1378 811.74,1379 522,1380 7.959}
{0 CHEMBL599259,1 1.673,2 15.842,3 2.856,4 8.156,5 139.677,6 7.756,7 0.429,8 4.328,9 4.443,10 3.928,11 3.77,12 5.446,13 3.792,14 4.885,15 5.057,16 4.27,17 4.143,18 6.031,19 4.143,20 5.081,21 5.283,22 4.311,23 4.287,24 6.145,25 4.256,26 5.118,27 5.345,28 4.267,29 4.249,30 6.234,31 4.213,32 5.062,33 5.283,34 4.27,35 4.214,36 6.201,37 4.191,38 4.996,39 5.198,40 4.24,41 4.247,42 6.051,43 4.211,44 5.072,45 5.272,46 4.234,47 4.349,48 6.06,49 4.277,50 5.233,51 5.465,52 4.194,53 4.401,54 6.275,55 4.269,56 0.134,57 1.034,58 13.113,59 5.444,60 10.813,61 7.113,62 0.856,63 1.598,64 27.638,65 9.051,66 55.068,67 11.873,68 0.739,69 1.888,70 34.573,71 10.681,72 52.844,73 15.302,74 0.779,75 1.911,76 37.108,77 10.448,78 78.173,79 15.488,80 0.884,81 1.814,82 35.194,83 9.507,84 82.475,85 14.21,86 0.685,87 1.812,88 30.761,89 9.571,90 51.228,91 13.747,92 0.675,93 1.906,94 32.878,95 11.801,96 43.536,97 16.559,98 0.874,99 1.994,100 41.642,101 16.373,102 103.021,103 23.032,104 12,105 57,106 0.263,107 0.566,108 0.666,109 0.694,110 0.713,111 0.727,112 3.668,113 0.884,114 -4.02,115 -3.97,116 -3.76,119 38.8,124 1,125 8,142 8,143 2,144 2,149 1,150 2,158 1,159 1,172 8,174 8,175 4,178 2,179 1,180 4,183 8,186 2,187 8,192 4,195 4,198 3,199 15,204 6,211 4,212 10,217 4,224 8,227 4,229 2,232 4,236 4,237 2,245 8,249 4,250 4,253 7,258 8,263 4,271 4,275 3060,276 26.179,277 26.179,278 26.179,279 26.179,280 26.179,281 23.901,282 35.897,283 15.683,284 27.138,285 20.718,286 20.718,287 20.718,288 20.718,289 20.718,290 17.064,291 52.652,292 7.443,293 22.106,294 4.393,295 2.47,296 1.832,297 1.653,298 1.534,299 1.444,300 4.376,306 1316,307 3.674,311 697.855,318 2.499,319 42.432,322 0.5,323 0.67,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.69,330 84.5,331 602,332 4.394,333 3.649,334 6.383,335 3.994,336 3.07,337 4.05,338 1.674,339 9.93,340 2.86,341 4.193,342 3.561,343 6.024,344 3.818,345 2.83,346 3.773,347 1.656,348 8.666,349 2.791,350 4.065,351 3.246,352 6.022,353 3.708,354 2.747,355 3.597,356 0.86,357 8.629,358 2.614,359 3.853,360 3.013,361 6.016,362 3.591,363 2.684,364 3.162,365 0.86,366 8.552,367 2.465,368 3.795,369 2.811,370 5.556,371 3.537,372 2.573,373 3.007,374 0.8,375 7.582,376 2.432,377 3.671,378 2.57,379 5.309,380 3.306,381 2.342,382 2.972,383 0.8,384 6.864,385 2.253,386 3.354,387 2.45,388 4.731,389 2.934,390 1.975,391 2.56,392 0.247,393 5.232,394 1.898,395 3.086,396 2.297,397 4.611,398 2.797,399 1.847,400 2.172,402 4.891,403 1.727,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.88,411 4.065,412 1.488,413 2.833,414 1.9,415 4.19,416 2.371,417 1.42,418 1.879,420 3.689,421 1.334,422 2.73,423 1.715,424 4.092,425 2.279,426 1.351,427 1.8,428 3.454,429 1.244,430 2.5,431 1.461,432 3.508,433 2,434 1.086,435 1.5,436 2.669,437 1,438 2.5,439 1.288,440 3.472,441 2,442 1,443 1.5,445 2.509,446 1,447 2.231,448 1.274,449 3.414,450 1.965,451 1,452 1.213,454 2.275,455 0.948,456 2.166,457 1.256,458 3.414,459 1.952,460 1,461 1.132,463 2.275,464 0.946,465 17.467,466 0.46,467 0.759,468 0.02,469 50,470 1.316,471 23,472 0.605,473 27,474 0.711,475 31.749,476 0.835,477 41.933,478 0.626,479 42.638,480 1.122,481 10.204,482 0.269,483 8.381,484 0.221,485 0.067,487 0.303,493 0.849,494 1.625,495 0.734,496 1.28,497 0.602,498 1.022,499 1.042,500 0.888,501 0.929,502 0.861,503 0.63,504 0.875,505 1.015,506 1.229,507 0.981,508 1.02,509 0.836,510 0.991,511 1.025,512 1.124,513 1.013,514 0.985,515 1.17,516 0.974,517 1.044,518 1.055,519 0.975,520 0.844,521 1.237,522 0.865,523 0.91,524 1.077,525 1.074,526 0.995,527 0.908,528 1.033,529 0.714,530 1.06,531 1.109,532 1.152,533 0.614,534 1.193,535 0.321,536 1.012,537 0.94,538 1.326,539 0.328,540 1.297,541 7,542 0.182,543 3.778,544 1.688,545 1.48,546 1.694,547 0.768,548 0.297,549 0.335,550 0.334,551 25692,552 74505,553 2.129,554 43.3,556 27,559 2,564 1.785,565 2.036,566 3.88,567 0.227,573 112.074,574 1.673,575 3.596,576 4.234,577 4.413,578 4.532,579 4.622,580 3.35,581 4.281,582 5.216,583 4.12,584 2896.44,585 9.174,586 50640.7,591 406.428,592 1.226,593 5.198,594 0.167,595 0.006,596 0.066,597 0.029,598 0.027,599 0.03,600 0.014,601 0.005,602 0.007,603 0.009,604 0.36,605 0.33,606 0.63,607 0.703,608 214.683,609 -0.073,610 -0.372,611 0.068,612 -0.182,613 -0.035,614 -0.049,615 0.049,616 0.235,617 0.005,618 0.123,619 0.09,620 0.051,621 -0.113,622 -0.157,623 -0.042,624 -0.03,625 -0.028,626 -0.023,627 -0.133,628 -0.065,629 -0.046,630 -0.044,631 -0.088,632 -0.023,633 -0.089,634 0.015,635 -0.004,636 0.089,637 -0.105,638 0.072,639 -0.113,640 0.071,641 -0.166,642 -0.021,643 -0.104,644 -0.084,645 -0.019,646 0.051,647 -0.222,648 -0.117,649 -0.045,650 -0.193,651 0.327,652 -0.058,653 -0.006,654 -0.247,655 0.31,656 -0.217,657 2.103,658 5.473,659 0.789,660 51.684,661 1.016,662 1.136,663 2.791,664 7.79,665 0.652,666 3.761,667 4.06,668 4.317,669 4.554,670 4.812,671 4.883,672 5.081,673 5.198,674 5.303,675 5.425,676 9.223,677 0.635,678 519.62,679 3.761,680 5.293,681 6.133,682 6.995,683 7.85,684 8.717,685 9.579,686 10.45,687 11.317,688 12.191,689 10.4,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,721 1,726 2,731 67,733 20,734 2,735 42,737 71,738 26,739 15,740 4,741 8,742 1,746 5,747 5,751 1,761 17,762 9,766 2,771 2,775 2,781 29,782 12,783 2,784 12,790 7,794 1,795 5,812 5,839 2,840 5,844 1,848 38,854 8,855 2,856 3,859 2,870 7.5,873 2,874 2,875 1,877 18.667,878 12.25,879 8.444,880 3.911,881 3.371,882 1.404,883 0.978,884 8.533,885 11.712,886 3.989,887 4.516,888 5.039,889 5.575,890 6.128,891 6.379,892 6.799,893 7.124,894 7.396,895 7.757,896 1,897 59,898 14.056,900 5.936,901 7.803,902 26.638,904 21.419,905 2.303,906 87.5,910 317.82,911 142.963,912 92.627,914 83.29,917 142.963,918 401.109,919 92.627,920 10.883,921 62.814,922 75.81,923 129.838,924 31.461,925 8.074,926 317.82,928 317.82,929 235.59,930 83.29,933 320.148,934 61.29,935 22,937 66.612,938 116.293,939 50.357,941 317.82,942 175.916,943 142.963,946 317.82,947 56.27,948 92.942,949 36.022,950 133.646,951 317.82,952 175.916,953 142.963,955 0.573,956 0.333,957 0.177,958 0.098,959 26,960 11,961 0.099,962 7,964 1,965 4.934,966 363.791,968 30,969 167.421,974 26.164,975 12.393,976 6.714,978 175.916,979 13.749,980 14.254,984 4.169,986 36.022,987 636.699,988 53,993 24.04,997 -0.846,999 68.069,1000 76.102,1001 0.276,1002 0.593,1003 0.698,1004 0.727,1005 0.747,1006 0.762,1007 5.223,1008 1.847,1009 6.094,1010 5.232,1011 4.745,1012 5.204,1013 2.79,1014 6.86,1015 4.628,1016 6.388,1017 1.697,1018 7.621,1019 4.891,1020 4.205,1021 4.879,1022 1.404,1023 7.644,1024 4.056,1025 7.669,1026 1.42,1027 9.246,1028 4.065,1029 6.297,1030 7.285,1031 3.402,1032 10.719,1033 6.074,1034 8.98,1035 1.351,1036 10.928,1037 3.689,1038 6.581,1039 7.764,1040 2.382,1041 12.322,1042 6.322,1043 10.324,1044 1.086,1045 12.647,1046 3.454,1047 8.107,1048 9.649,1049 4.275,1050 14.879,1051 7.783,1052 11.688,1053 1,1054 14.39,1055 2.669,1056 8.781,1057 10.511,1058 3.421,1059 16.825,1060 8.413,1061 13.069,1062 1,1063 16.151,1064 2.509,1065 10.058,1066 12.161,1067 5.241,1068 19.189,1069 9.632,1070 3.07,1071 1,1072 17.925,1073 2.275,1074 10.93,1075 13.23,1076 4.467,1077 21.293,1078 10.452,1079 2.83,1080 9.93,1081 19.708,1082 2.275,1083 12.093,1084 14.757,1085 6.241,1086 23.583,1087 11.56,1088 2.747,1089 8.666,1090 21.498,1091 4.05,1092 13.066,1093 15.948,1094 5.504,1095 25.764,1096 12.477,1097 2.684,1098 8.629,1099 23.294,1100 3.773,1101 14.178,1102 17.408,1103 7.254,1104 28.028,1105 13.535,1106 2.573,1107 8.552,1108 25.094,1109 3.597,1110 15.204,1111 18.672,1112 6.531,1113 30.249,1114 14.503,1115 2.342,1116 7.582,1117 26.898,1118 3.162,1119 16.297,1120 20.095,1121 8.273,1122 32.509,1123 15.539,1124 1.975,1125 6.864,1126 28.706,1127 3.007,1128 17.353,1129 21.405,1130 7.551,1131 34.752,1132 16.534,1133 24072,1134 41160,1135 28.72,1136 43.688,1137 62.157,1138 64.79,1139 63.296,1140 61.887,1141 61.94,1142 77.193,1143 13.795,1144 172.356,1145 58.255,1146 5.394,1147 5.649,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 3.349,1153 16.41,1154 4.86,1155 15.365,1156 1.48,1157 1.543,1158 1.507,1159 1.473,1160 1.475,1161 1.838,1162 0.328,1163 4.104,1164 1.387,1165 4.017,1166 4.062,1167 3.976,1168 3.901,1169 7.434,1170 3.91,1171 3.925,1172 3.954,1173 3.879,1174 3.842,1175 7.43,1176 3.844,1177 3.832,1178 3.878,1179 3.765,1180 3.637,1181 5.077,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.743,1188 3.533,1189 3.562,1190 3.613,1191 3.49,1192 3.321,1193 4.695,1194 3.356,1195 3.465,1196 3.493,1197 3.404,1198 3.187,1199 4.616,1200 3.238,1201 3.315,1202 3.356,1203 3.229,1204 3.014,1205 4.589,1206 3.06,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.471,1212 2.91,1213 0.105,1214 0.087,1215 0.152,1216 0.095,1217 0.073,1218 4.394,1219 0.096,1220 3.649,1221 0.04,1222 6.383,1223 0.236,1224 3.994,1225 0.068,1226 3.07,1227 4.05,1228 1.674,1229 9.93,1230 2.86,1231 1.934,1232 1.904,1233 2.024,1234 2.081,1235 1.208,1236 2.058,1237 1.9,1238 1.877,1239 1.998,1240 2.015,1241 1.187,1242 2.008,1243 1.757,1244 1.699,1245 1.93,1246 1.954,1247 1.103,1248 1.953,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.084,1254 1.926,1255 1.446,1256 1.394,1257 1.597,1258 1.714,1259 0.825,1260 1.671,1261 1.319,1262 1.288,1263 1.535,1264 1.632,1265 0.825,1266 1.604,1267 1.193,1268 1.137,1269 1.513,1270 1.511,1271 0.583,1272 1.484,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.515,1278 1.429,1279 4.443,1281 5.746,1283 7.248,1285 8.831,1287 10.455,1289 1.32,1295 5.393,1296 5.547,1297 15.659,1300 4.215,1305 42.519,1306 112.074,1307 240.962,1308 283.673,1309 295.673,1310 303.673,1311 309.673,1312 64.93,1313 8.341,1314 131.04,1315 131.04,1316 30,1317 12.733,1318 4.392,1319 3.585,1320 59.353,1321 210,1322 240,1323 0.134,1324 258.544,1325 455.77,1326 622.608,1327 55622,1329 26.321,1330 0.693,1331 0.554,1332 26.321,1333 21.053,1334 18.585,1335 0.442,1336 0.295,1337 12.088,1338 17.505,1339 11.898,1340 9.767,1341 18.585,1342 12.372,1343 16.307,1344 0.286,1345 0.152,1346 16.307,1347 8.683,1348 13.819,1349 0.187,1350 0.083,1351 13.819,1352 6.164,1353 11.277,1354 0.12,1355 0.044,1356 11.277,1357 4.096,1358 9.329,1359 0.076,1360 0.023,1361 9.329,1362 2.754,1363 0.217,1364 118.97,1365 0.187,1366 35.076,1367 0.349,1368 198,1369 667.569,1370 226.827,1371 622.174,1372 843.15,1373 586,1374 230,1375 607.682,1376 258.169,1377 608.033,1378 893.4,1379 570,1380 7.903}
{0 CHEMBL599667,1 1.744,2 12.758,3 2.787,4 7.767,5 126.359,6 8.062,7 0.459,8 4.193,9 4.31,10 3.867,11 3.684,12 5.264,13 3.677,14 4.753,15 4.925,16 4.22,17 4.062,18 5.839,19 4.031,20 4.948,21 5.163,22 4.147,23 4.143,24 5.926,25 4.082,26 4.925,27 5.164,28 4.165,29 4.094,30 5.964,31 4.045,32 4.895,33 5.12,34 4.175,35 4.081,36 6.017,37 4.052,38 4.827,39 5.016,40 4.163,41 4.139,42 5.857,43 4.096,44 4.935,45 5.126,46 4.167,47 4.277,48 5.883,49 4.181,50 5.125,51 5.364,52 4.042,53 4.32,54 5.994,55 4.157,56 0.094,57 0.945,58 11.538,59 4.981,60 6.508,61 6.19,62 0.649,63 1.492,64 25.58,65 8.462,66 38.479,67 10.536,68 0.658,69 1.686,70 33.752,71 10.06,72 40.624,73 13.503,74 0.552,75 1.682,76 31.607,77 8.834,78 45.51,79 13.01,80 0.69,81 1.609,82 30.43,83 8.432,84 61.139,85 12.021,86 0.503,87 1.614,88 25.129,89 8.226,90 35.827,91 10.944,92 0.548,93 1.752,94 29.634,95 11.043,96 30.484,97 14.581,98 0.5,99 1.839,100 39.276,101 16.023,102 53.101,103 21.726,104 2,105 50,106 0.283,107 0.587,108 0.689,109 0.727,110 0.727,111 0.727,112 3.532,113 0.953,114 -3.96,115 -3.91,116 -3.71,119 37.9,125 8,142 6,143 1,144 1,149 1,150 2,151 1,153 1,159 1,172 5,174 7,175 2,178 2,179 1,180 4,183 6,186 2,187 4,192 3,195 2,198 3,199 11,204 5,211 4,212 9,217 3,224 7,227 2,229 1,232 4,236 4,237 2,245 6,249 2,250 4,253 5,258 4,263 4,271 1,275 2133,276 22.947,277 22.947,278 22.947,279 22.947,280 22.947,281 20.863,282 32.632,283 13.959,284 23.969,285 18.363,286 18.363,287 18.363,288 18.363,289 18.363,290 15.149,291 50.554,292 6.744,293 19.994,294 4.114,295 2.24,296 1.612,297 1.379,298 1.379,299 1.379,300 4.244,304 1,305 1,306 934,307 3,310 109.821,311 451.426,318 2.051,319 30.658,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 72.5,331 421,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.076,342 3.246,343 6.024,344 3.715,345 2.76,346 3.603,347 0.86,348 8.666,349 2.615,350 3.969,351 3.013,352 6.016,353 3.591,354 2.684,355 3.501,356 0.86,357 8.629,358 2.448,359 3.795,360 2.811,361 5.57,362 3.565,363 2.64,364 3.056,365 0.8,366 7.64,367 2.432,368 3.73,369 2.569,370 5.329,371 3.333,372 2.405,373 2.972,374 0.8,375 6.938,376 2.211,377 3.392,378 2.448,379 4.734,380 2.952,381 2,382 2.614,383 0.247,384 5.254,385 1.89,386 3.087,387 2.297,388 4.616,389 2.803,390 1.868,391 2.174,393 4.916,394 1.727,395 2.838,396 2.25,397 4.283,398 2.577,399 1.697,400 1.879,402 4.065,403 1.488,404 2.737,405 1.716,406 4.187,407 2.294,408 1.377,409 1.815,411 3.678,412 1.257,413 2.566,414 1.318,415 3.508,416 2.072,417 1.139,418 1.576,420 2.671,421 1.047,422 2.5,423 1.288,424 3.472,425 2,426 1.076,427 1.5,428 2.509,429 1,430 2.231,431 1.273,432 3.414,433 1.962,434 1,435 1.213,436 2.487,437 0.947,438 2.166,439 1.256,440 3.391,441 1.952,442 1,443 1.132,445 2.275,446 0.946,447 2.118,448 1.256,449 3.247,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.869,460 1,461 1,463 2.136,464 0.866,465 15.633,466 0.474,467 0.602,468 0.018,469 43.25,470 1.311,471 19.5,472 0.591,473 23.75,474 0.72,475 27.763,476 0.841,477 35.967,478 0.62,479 32.826,480 0.995,481 8.465,482 0.257,483 7.778,484 0.236,485 0.021,487 0.275,493 0.892,494 1.555,495 0.72,496 1.11,497 0.637,498 0.971,499 1.103,500 0.917,501 0.949,502 0.904,503 0.691,504 0.909,505 1.166,506 1.193,507 1.043,508 0.979,509 0.995,510 0.982,511 0.871,512 1.09,513 0.784,514 0.881,515 0.968,516 0.911,517 1.055,518 1.006,519 0.818,520 0.738,521 1.361,522 0.787,523 1.197,524 1.02,525 0.984,526 0.855,527 1.251,528 0.995,529 0.733,530 1.003,531 1.119,532 1.112,533 0.564,534 1.218,535 0.366,536 1.008,537 0.895,538 1.266,539 0.366,540 1.32,541 5.5,542 0.129,543 2.667,544 1.41,545 1.093,546 1.472,547 0.572,548 0.194,549 0.258,550 0.238,551 17052,552 47794,553 2.187,554 43.1,556 22,557 1,559 2,564 1.754,565 2.129,566 3.604,567 0.282,569 1,573 101.153,574 1.744,575 3.618,576 4.246,577 4.479,578 4.479,579 4.479,580 3.075,581 3.965,582 5.011,583 3.837,584 2025.79,585 8.786,586 30969.9,591 339.763,592 1.027,593 5.01,594 0.149,595 0.005,596 0.053,597 0.029,598 0.023,599 0.029,600 0.012,601 0.004,602 0.006,603 0.008,604 0.32,605 0.33,606 0.63,607 0.306,608 176.257,609 -0.079,610 -0.344,611 0.078,612 -0.101,613 -0.029,614 -0.03,615 0.046,616 0.2,617 -0.011,618 0.064,619 0.086,620 0.002,621 -0.144,622 -0.173,623 -0.106,624 -0.039,625 -0.083,626 -0.034,627 -0.043,628 -0.049,629 0.063,630 -0.032,631 -0.012,632 0.021,633 -0.034,634 0.037,635 0.04,636 0.107,637 -0.023,638 0.123,639 -0.266,640 0.111,641 -0.191,642 0.016,643 -0.227,644 -0.095,645 -0.02,646 0.094,647 -0.263,648 -0.126,649 -0.058,650 -0.24,651 0.243,652 -0.115,653 -0.039,654 -0.266,655 0.186,656 -0.242,657 1.949,658 5.194,659 0.879,660 39.466,661 1.012,662 1.134,663 2.728,664 7.442,665 0.671,666 3.638,667 3.932,668 4.19,669 4.454,670 4.673,671 4.754,672 4.963,673 5.094,674 5.231,675 5.342,676 7.742,677 0.642,678 467.61,679 3.638,680 5.165,681 6.004,682 6.866,683 7.72,684 8.589,685 9.451,686 10.324,687 11.191,688 12.067,689 12.1,695 2,696 2,699 3,702 1,704 7,705 3,708 1,709 6,711 17,726 2,731 58,733 18,734 1,735 37,737 62,738 22,739 13,740 2,741 4,746 5,747 5,751 1,761 14,762 8,766 1,771 1,775 1,778 1,781 25,782 10,783 2,784 11,785 1,790 7,794 1,795 3,811 1,812 4,839 2,840 5,842 1,848 33,854 8,855 2,856 2,859 2,865 1,870 5.2,873 1,874 2,877 15.5,878 10.25,879 7.25,880 3.446,881 2.913,882 1.366,883 1.001,884 7.191,885 10.878,886 3.861,887 4.385,888 4.901,889 5.461,890 5.917,891 6.205,892 6.658,893 7.009,894 7.348,895 7.694,896 1,897 48,898 12.211,900 5.173,901 7.667,902 23.501,904 19.186,905 2.167,906 71.5,910 270.735,911 139.85,912 92.627,914 47.145,916 31.278,917 108.573,918 317.88,919 92.627,921 62.814,922 64.507,923 97.501,924 15.448,925 19.845,926 290.242,928 270.735,929 201.199,930 47.145,931 31.278,933 273.063,934 25.145,935 22,937 67.542,938 80.973,939 50.357,940 31.278,941 270.735,942 139.771,943 139.85,946 270.735,947 75.344,948 70.755,949 36.022,950 97.501,951 270.735,952 139.771,953 139.85,955 0.571,956 0.326,957 0.182,958 0.097,959 24,960 9,961 0.081,962 5,964 1,965 4.561,966 306.068,968 29,969 132.955,970 1,974 22.319,975 10.633,976 5.72,978 139.771,979 13.151,980 14.262,983 1.47,984 4.238,986 36.022,987 550.357,988 46.5,993 12.194,997 -0.283,999 58.723,1000 65.773,1001 0.298,1002 0.618,1003 0.725,1004 0.765,1005 0.765,1006 0.765,1007 5.089,1008 1.697,1009 5.953,1010 4.916,1011 4.615,1012 5.072,1013 2.368,1014 6.711,1015 4.458,1016 6.243,1017 1.377,1018 7.468,1019 4.065,1020 4.007,1021 4.663,1022 1.404,1023 7.455,1024 3.793,1025 7.514,1026 1.139,1027 9.081,1028 3.678,1029 6.151,1030 7.135,1031 2.66,1032 10.556,1033 5.847,1034 8.817,1035 1.076,1036 10.754,1037 2.671,1038 6.399,1039 7.582,1040 2.382,1041 12.15,1042 6.031,1043 10.154,1044 1,1045 12.466,1046 2.509,1047 7.948,1048 9.482,1049 3.324,1050 14.72,1051 7.505,1052 11.513,1053 1,1054 14.206,1055 2.487,1056 8.605,1057 10.339,1058 3.421,1059 16.67,1060 8.093,1061 12.888,1062 1,1063 15.964,1064 2.275,1065 9.893,1066 11.981,1067 4.179,1068 19.044,1069 9.312,1070 3.07,1071 1,1072 17.736,1073 2.136,1074 10.758,1075 13.058,1076 4.467,1077 21.157,1078 10.106,1079 2.76,1080 9.93,1081 19.518,1082 2.136,1083 11.926,1084 14.573,1085 5.118,1086 23.456,1087 11.208,1088 2.684,1089 8.666,1090 21.309,1091 4.05,1092 12.899,1093 15.774,1094 5.504,1095 25.648,1096 12.109,1097 2.64,1098 8.629,1099 23.105,1100 3.603,1101 14.016,1102 17.224,1103 6.093,1104 27.922,1105 13.16,1106 2.405,1107 7.64,1108 24.907,1109 3.501,1110 15.045,1111 18.499,1112 6.531,1113 30.153,1114 14.118,1115 2,1116 6.938,1117 26.713,1118 3.056,1119 16.143,1120 19.915,1121 7.084,1122 32.422,1123 15.149,1124 1.868,1125 5.254,1126 28.523,1127 2.972,1128 17.202,1129 21.234,1130 7.551,1131 34.674,1132 16.139,1133 15716,1134 26495,1135 25.83,1136 38.904,1137 55.134,1138 55.99,1139 54.661,1140 54.74,1141 54.749,1142 68.122,1143 10.446,1144 150.807,1145 50.445,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 7.709,1156 1.49,1157 1.513,1158 1.477,1159 1.479,1160 1.48,1161 1.841,1162 0.282,1163 4.076,1164 1.363,1165 4.01,1166 4.056,1167 4.215,1168 3.909,1169 7.431,1170 3.901,1171 3.86,1172 3.897,1173 3.963,1174 3.86,1175 5.077,1176 3.79,1177 3.821,1178 3.849,1179 3.766,1180 3.637,1181 4.716,1182 3.665,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.68,1188 3.533,1189 3.552,1190 3.605,1191 3.48,1192 3.318,1193 4.616,1194 3.351,1195 3.363,1196 3.405,1197 3.328,1198 3.075,1199 4.589,1200 3.131,1201 3.111,1202 3.206,1203 2.866,1204 2.941,1205 4.03,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.022,1212 2.91,1213 0.119,1214 0.096,1215 0.173,1216 0.108,1217 0.083,1218 4.394,1219 0.109,1220 3.562,1221 0.045,1222 6.383,1223 0.268,1224 3.994,1225 0.077,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.93,1232 1.899,1233 2.019,1234 2.08,1235 1.208,1236 2.056,1237 1.758,1238 1.7,1239 1.93,1240 1.967,1241 1.187,1242 1.961,1243 1.679,1244 1.619,1245 1.903,1246 1.933,1247 1.099,1248 1.926,1249 1.525,1250 1.487,1251 1.671,1252 1.746,1253 0.825,1254 1.712,1255 1.439,1256 1.394,1257 1.535,1258 1.654,1259 0.825,1260 1.635,1261 1.372,1262 1.354,1263 1.513,1264 1.513,1265 0.714,1266 1.533,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.585,1272 1.429,1273 1.153,1274 1.064,1275 1.396,1276 1.376,1277 0.505,1278 1.429,1279 4.317,1281 5.617,1282 2.398,1283 7.107,1284 4.443,1285 8.681,1286 6.26,1287 10.3,1295 5.595,1296 5.653,1297 10.963,1300 4.257,1305 37.222,1306 101.153,1307 209.847,1308 246.253,1309 259.763,1310 259.763,1311 259.763,1312 46.066,1313 7.965,1314 104.74,1315 132.98,1316 29,1317 12.608,1318 4.248,1319 3.392,1320 47.812,1321 149,1322 162,1323 0.15,1324 229.168,1325 392.78,1326 550.93,1327 32964,1329 22.46,1330 0.681,1331 0.572,1332 22.813,1333 18.884,1334 16.242,1335 0.439,1336 0.318,1337 10.728,1338 14.893,1339 10.517,1340 8.589,1341 16.696,1342 11.759,1343 14.291,1344 0.286,1345 0.171,1346 14.901,1347 8.539,1348 11.954,1349 0.184,1350 0.095,1351 12.57,1352 6.144,1353 10.197,1354 0.12,1355 0.05,1356 10.831,1357 4.232,1358 8.061,1359 0.076,1360 0.024,1361 8.339,1362 2.527,1363 0.238,1364 107.764,1365 0.197,1366 30.978,1367 0.404,1368 174,1369 548.958,1370 220.463,1371 536.914,1372 736.1,1373 508,1374 202,1375 523.901,1376 242.22,1377 536.958,1378 791.43,1379 506,1380 8.699}
{0 CHEMBL599668,1 1.657,2 13.5,3 1.85,4 3.422,5 125.992,6 7.709,7 0.474,8 4.224,9 4.349,10 3.826,11 3.667,12 5.317,13 3.687,14 4.78,15 4.961,16 4.161,17 4.041,18 5.881,19 4.037,20 4.991,21 5.209,22 4.172,23 4.172,24 5.989,25 4.13,26 4.98,27 5.227,28 4.126,29 4.117,30 6.014,31 4.07,32 4.93,33 5.158,34 4.174,35 4.087,36 6.078,37 4.069,38 4.858,39 5.052,40 4.152,41 4.138,42 5.907,43 4.114,44 4.966,45 5.16,46 4.137,47 4.27,48 5.94,49 4.195,50 5.16,51 5.406,52 4.051,53 4.328,54 6.041,55 4.181,56 0.097,57 0.968,58 11.919,59 4.606,60 7.92,61 6.315,62 0.661,63 1.485,64 24.661,65 7.736,66 40.956,67 10.557,68 0.69,69 1.723,70 32.334,71 9.335,72 45.101,73 13.876,74 0.56,75 1.702,76 32.416,77 8.792,78 50.205,79 13.912,80 0.791,81 1.611,82 30.899,83 7.879,84 72.75,85 12.227,86 0.498,87 1.626,88 26.27,89 7.942,90 35.953,91 11.443,92 0.573,93 1.762,94 28.99,95 10.405,96 36.178,97 14.724,98 0.531,99 1.849,100 38.932,101 15.443,102 57.59,103 21.969,104 2,105 51,106 0.267,107 0.571,108 0.682,109 0.724,110 0.737,111 0.737,112 3.56,113 0.888,114 -3.38,115 -3.36,116 -3.21,119 38.3,125 8,142 6,143 1,144 2,145 2,149 1,150 2,159 1,172 5,174 7,175 3,178 2,179 1,180 3,183 4,186 2,187 5,190 1,192 3,195 2,198 3,199 10,204 4,211 5,212 9,215 1,217 3,224 7,227 2,229 1,232 2,236 4,237 4,245 4,249 2,250 6,253 5,258 3,263 5,271 1,275 2300,276 23.654,277 23.654,278 23.654,279 23.654,280 23.654,281 21.44,282 32.632,283 14.459,284 24.523,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 15.483,291 50.554,292 6.994,293 20.237,294 4.25,295 2.358,296 1.671,297 1.413,298 1.333,299 1.333,300 4.274,304 1,305 1,306 1016,307 3,311 600.171,318 2.147,319 32.566,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 75,331 459,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.074,342 3.246,343 6.024,344 3.718,345 2.759,346 3.601,347 0.86,348 8.666,349 2.623,350 3.954,351 3.013,352 6.016,353 3.591,354 2.684,355 3.471,356 0.86,357 8.629,358 2.515,359 3.795,360 2.811,361 5.567,362 3.591,363 2.631,364 3.056,365 0.8,366 7.631,367 2.432,368 3.726,369 2.552,370 5.323,371 3.358,372 2.397,373 2.972,374 0.8,375 6.923,376 2.299,377 3.395,378 2.446,379 4.732,380 2.966,381 2,382 2.626,383 0.247,384 5.246,385 1.931,386 3.089,387 2.297,388 4.612,389 2.806,390 1.871,391 2.18,393 4.907,394 1.731,395 2.854,396 2.25,397 4.283,398 2.577,399 1.697,400 1.987,402 4.065,403 1.488,404 2.838,405 1.716,406 4.187,407 2.367,408 1.422,409 1.879,411 3.679,412 1.343,413 2.729,414 1.519,415 3.569,416 2.273,417 1.34,418 1.802,420 2.985,421 1.241,422 2.5,423 1.288,424 3.508,425 2,426 1.085,427 1.5,428 2.668,429 1,430 2.5,431 1.273,432 3.472,433 1.965,434 1,435 1.5,436 2.509,437 0.954,438 2.231,439 1.256,440 3.414,441 1.956,442 1,443 1.213,445 2.275,446 0.948,447 2.166,448 1.256,449 3.247,450 1.952,451 1,452 1.132,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.7,466 0.462,467 0.602,468 0.018,469 46.25,470 1.36,471 21.5,472 0.632,473 24.75,474 0.728,475 26.975,476 0.793,477 37.1,478 0.618,479 36.172,480 1.064,481 9.269,482 0.273,483 7.474,484 0.22,485 0.021,487 0.274,493 0.894,494 1.679,495 0.739,496 1.276,497 0.638,498 1.016,499 1.13,500 0.95,501 0.97,502 0.916,503 0.715,504 0.921,505 1.129,506 1.163,507 1.025,508 0.971,509 0.983,510 0.978,511 0.878,512 1.122,513 0.938,514 0.975,515 0.935,516 0.945,517 1.063,518 0.964,519 0.934,520 0.77,521 1.44,522 0.798,523 1.154,524 1.097,525 1.109,526 1,527 1.169,528 1.015,529 0.784,530 1.055,531 1.197,532 1.202,533 0.707,534 1.257,535 0.381,536 1.02,537 0.953,538 1.371,539 0.378,540 1.309,541 5.5,542 0.14,543 2.667,544 1.375,545 1.209,546 1.431,547 0.647,548 0.179,549 0.261,550 0.254,551 18600,552 50716,553 2.182,554 43.3,556 22,558 2,559 2,564 1.76,565 2.125,566 3.672,567 0.264,569 1,573 99.405,574 1.657,575 3.548,576 4.236,577 4.494,578 4.574,579 4.574,580 3.072,581 3.922,582 5.054,583 3.893,584 2184.21,585 8.869,586 34322.1,591 354.413,592 1.012,593 5.053,594 0.145,595 0.005,596 0.052,597 0.027,598 0.025,599 0.028,600 0.013,601 0.004,602 0.006,603 0.008,604 0.313,605 0.33,606 0.63,607 0.299,608 183.771,609 -0.078,610 -0.423,611 0.074,612 -0.193,613 -0.021,614 -0.052,615 0.019,616 0.179,617 -0.034,618 0.057,619 0.071,620 -0.005,621 -0.123,622 -0.126,623 -0.062,624 0.003,625 -0.086,626 -0.019,627 -0.063,628 -0.08,629 0.029,630 -0.038,631 -0.004,632 0.014,633 -0.004,634 0.094,635 0.05,636 0.149,637 -0.018,638 0.123,639 -0.234,640 0.056,641 -0.202,642 -0.024,643 -0.164,644 -0.084,645 -0.038,646 0.067,647 -0.317,648 -0.157,649 -0.092,650 -0.265,651 0.235,652 -0.097,653 -0.014,654 -0.272,655 0.187,656 -0.212,657 2.009,658 5.262,659 0.882,660 41.785,661 1.012,662 1.139,663 2.145,664 4.603,665 0.654,666 3.664,667 3.951,668 4.205,669 4.466,670 4.727,671 4.771,672 4.977,673 5.118,674 5.242,675 5.361,676 8.018,677 0.634,678 462.57,679 3.664,680 5.187,681 6.023,682 6.882,683 7.734,684 8.601,685 9.461,686 10.332,687 11.198,688 12.072,689 13.3,695 2,696 2,699 4,702 1,704 8,705 4,709 6,711 18,726 2,731 60,733 19,734 1,735 38,737 64,738 23,739 14,740 2,741 4,746 5,747 5,751 1,761 15,762 8,766 1,771 1,775 1,778 1,781 26,782 11,783 2,784 11,790 8,794 1,795 3,805 1,812 5,839 2,840 5,848 34,854 8,855 2,856 2,859 2,870 5,873 1,874 2,877 16,878 10.617,879 7.5,880 3.565,881 3.166,882 1.393,883 0.994,884 7.219,885 11.217,886 3.892,887 4.413,888 4.925,889 5.482,890 6.033,891 6.235,892 6.677,893 7.05,894 7.358,895 7.715,896 0.889,897 51,898 12.56,900 5.298,901 7.696,902 24.047,904 19.456,905 2.196,906 74.667,910 282.506,911 120.846,912 109.412,914 47.145,917 120.846,918 329.651,919 109.412,921 62.814,922 56.857,923 137.829,924 35.37,925 8.074,926 258.964,928 282.506,929 230.258,930 47.145,933 284.834,934 25.145,935 22,937 84.707,938 76.081,939 67.142,941 282.506,942 156.557,943 120.846,946 282.506,947 45.893,948 81.201,949 36.022,950 114.287,951 282.506,952 156.557,953 120.846,955 0.568,956 0.324,957 0.18,958 0.102,959 24,960 9,961 0.078,962 5,964 1,965 4.643,966 317.081,968 30,969 144.974,974 22.627,975 10.847,976 5.866,978 156.557,979 14.196,980 18.245,984 3.99,986 36.022,987 559.909,988 48,993 12.262,997 -0.342,999 60.749,1000 68.351,1001 0.28,1002 0.601,1003 0.717,1004 0.761,1005 0.774,1006 0.774,1007 5.115,1008 1.697,1009 5.969,1010 4.907,1011 4.635,1012 5.1,1013 2.368,1014 6.72,1015 4.503,1016 6.267,1017 1.422,1018 7.479,1019 4.065,1020 4.007,1021 4.663,1022 1.404,1023 7.455,1024 3.828,1025 7.534,1026 1.34,1027 9.089,1028 3.679,1029 6.163,1030 7.159,1031 2.66,1032 10.559,1033 5.905,1034 8.833,1035 1.085,1036 10.759,1037 2.985,1038 6.382,1039 7.543,1040 2.382,1041 12.147,1042 6.069,1043 10.165,1044 1,1045 12.469,1046 2.668,1047 7.955,1048 9.503,1049 3.324,1050 14.72,1051 7.57,1052 11.52,1053 1,1054 14.207,1055 2.509,1056 8.59,1057 10.294,1058 3.421,1059 16.668,1060 8.141,1061 12.892,1062 1,1063 15.964,1064 2.275,1065 9.895,1066 11.996,1067 4.179,1068 19.043,1069 9.378,1070 3.07,1071 1,1072 17.736,1073 2.136,1074 10.746,1075 13.019,1076 4.467,1077 21.155,1078 10.16,1079 2.759,1080 9.93,1081 19.517,1082 2.136,1083 11.925,1084 14.581,1085 5.118,1086 23.456,1087 11.273,1088 2.684,1089 8.666,1090 21.307,1091 4.05,1092 12.89,1093 15.743,1094 5.504,1095 25.647,1096 12.165,1097 2.631,1098 8.629,1099 23.104,1100 3.601,1101 14.012,1102 17.226,1103 6.093,1104 27.922,1105 13.222,1106 2.397,1107 7.631,1108 24.906,1109 3.471,1110 15.037,1111 18.474,1112 6.531,1113 30.152,1114 14.173,1115 2,1116 6.923,1117 26.712,1118 3.056,1119 16.138,1120 19.913,1121 7.084,1122 32.421,1123 15.206,1124 1.871,1125 5.246,1126 28.522,1127 2.972,1128 17.196,1129 21.215,1130 7.551,1131 34.674,1132 16.19,1133 17184,1134 28544,1135 26.523,1136 39.262,1137 56.222,1138 57.475,1139 56.235,1140 56.068,1141 56.08,1142 70.139,1143 10.446,1144 153.484,1145 52.401,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 7.824,1156 1.48,1157 1.512,1158 1.48,1159 1.475,1160 1.476,1161 1.846,1162 0.275,1163 4.039,1164 1.379,1165 4.011,1166 4.058,1167 3.971,1168 3.89,1169 7.431,1170 3.9,1171 3.871,1172 3.921,1173 3.818,1174 3.74,1175 5.077,1176 3.75,1177 3.826,1178 3.871,1179 3.756,1180 3.637,1181 4.907,1182 3.665,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.701,1188 3.533,1189 3.554,1190 3.608,1191 3.474,1192 3.318,1193 4.616,1194 3.351,1195 3.38,1196 3.427,1197 3.325,1198 3.092,1199 4.591,1200 3.147,1201 3.111,1202 3.206,1203 2.868,1204 2.941,1205 4.072,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.022,1212 2.91,1213 0.116,1214 0.094,1215 0.168,1216 0.105,1217 0.081,1218 4.394,1219 0.107,1220 3.562,1221 0.044,1222 6.383,1223 0.261,1224 3.994,1225 0.075,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.931,1232 1.9,1233 2.02,1234 2.081,1235 1.208,1236 2.057,1237 1.821,1238 1.779,1239 1.938,1240 1.993,1241 1.187,1242 1.979,1243 1.756,1244 1.698,1245 1.925,1246 1.941,1247 1.099,1248 1.942,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 0.944,1254 1.926,1255 1.443,1256 1.39,1257 1.535,1258 1.705,1259 0.825,1260 1.666,1261 1.231,1262 1.183,1263 1.513,1264 1.541,1265 0.825,1266 1.494,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.513,1272 1.429,1273 1.153,1274 1.064,1275 1.365,1276 1.376,1277 0.322,1278 1.429,1279 4.344,1281 5.638,1283 7.133,1285 8.712,1287 10.333,1295 5.541,1296 5.567,1297 10.964,1300 4.245,1305 38.057,1306 99.405,1307 212.904,1308 254.149,1309 269.659,1310 274.413,1311 274.413,1312 48.128,1313 8.052,1314 117.63,1315 117.63,1316 30,1317 12.614,1318 4.322,1319 3.459,1320 50.021,1321 160,1322 182,1323 0.147,1324 231.496,1325 399.93,1326 556.611,1327 37484,1329 23.167,1330 0.681,1331 0.55,1332 23.167,1333 18.684,1334 16.742,1335 0.441,1336 0.296,1337 10.999,1338 15.808,1339 10.87,1340 8.898,1341 16.742,1342 11.244,1343 14.645,1344 0.287,1345 0.154,1346 14.645,1347 7.856,1348 12.204,1349 0.185,1350 0.084,1351 12.204,1352 5.52,1353 10.374,1354 0.121,1355 0.043,1356 10.374,1357 3.725,1358 8.673,1359 0.077,1360 0.022,1361 8.673,1362 2.498,1363 0.234,1364 106.722,1365 0.194,1366 31.809,1367 0.392,1368 178,1369 567.743,1370 203.012,1371 535.126,1372 733.92,1373 506,1374 206,1375 537.613,1376 231.044,1377 537.457,1378 789.5,1379 506,1380 8.77}
{0 CHEMBL600084,1 1.591,2 14.293,3 2.549,4 6.497,5 152.385,6 7.123,7 0.348,8 4.479,9 4.61,10 4.015,11 3.93,12 5.498,13 3.925,14 5.087,15 5.279,16 4.44,17 4.363,18 6.114,19 4.34,20 5.376,21 5.592,22 4.461,23 4.532,24 6.324,25 4.471,26 5.449,27 5.713,28 4.446,29 4.516,30 6.421,31 4.444,32 5.309,33 5.525,34 4.441,35 4.498,36 6.349,37 4.45,38 5.308,39 5.513,40 4.459,41 4.585,42 6.257,43 4.508,44 5.459,45 5.712,46 4.439,47 4.616,48 6.324,49 4.506,50 5.436,51 5.705,52 4.367,53 4.558,54 6.317,55 4.437,56 0.077,57 1.232,58 17.781,59 6.728,60 12.405,61 9.656,62 0.688,63 1.977,64 35.988,65 11.348,66 53.949,67 16.923,68 0.788,69 2.405,70 49.91,71 14.501,72 68.229,73 22.033,74 0.952,75 2.447,76 55.67,77 15.009,78 95.052,79 23.745,80 0.858,81 2.297,82 46.864,83 13.134,84 98.838,85 19.997,86 0.615,87 2.488,88 44.446,89 14.518,90 55.674,91 22.021,92 0.747,93 2.6,94 54.077,95 17.044,96 67.237,97 26.811,98 0.849,99 2.431,100 53.869,101 17.47,102 85.953,103 26.682,104 49,105 68,106 0.243,107 0.568,108 0.749,109 0.788,110 0.788,111 0.788,112 3.742,113 0.939,114 -4.49,115 -4.42,116 -4.16,119 36.7,120 3,121 4,124 1,125 4,127 3,130 1,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 16,178 2,179 1,180 2,183 8,186 2,187 8,192 2,195 2,198 6,199 20,204 3,207 3,211 2,212 10,217 2,220 4,223 3,224 12,227 2,229 1,232 10,236 5,237 9,245 6,249 6,250 8,253 4,255 1,258 8,263 9,266 1,271 8,275 3895,276 27.4,277 27.4,278 27.4,279 27.4,280 27.4,281 25.382,282 39.118,283 15.656,284 28.16,285 22.694,286 22.694,287 22.694,288 22.694,289 22.694,290 19.373,291 54.542,292 7.449,293 23.929,294 4.713,295 2.582,296 1.393,297 1.14,298 1.14,299 1.14,300 4.452,306 1278,307 4.583,310 195.409,311 487.305,312 129.356,314 178.295,318 2.196,319 43.224,322 0.5,323 0.5,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.73,330 90,331 586,332 4.695,333 3.848,334 6.906,335 4.244,336 3.296,337 4.638,338 2.208,339 11.631,340 3.124,341 4.202,342 3.54,343 6.484,344 4.088,345 3.153,346 3.796,347 1.656,348 10.252,349 2.937,350 4.18,351 3.415,352 6.351,353 3.866,354 2.932,355 3.379,356 0.86,357 9.705,358 2.761,359 4.039,360 3.24,361 6.114,362 3.799,363 2.832,364 3.275,365 0.8,366 8.983,367 2.718,368 3.842,369 3.19,370 5.936,371 3.657,372 2.706,373 3.166,374 0.655,375 8.35,376 2.56,377 3.803,378 2.901,379 5.763,380 3.513,381 2.565,382 2.874,383 0.247,384 8.029,385 2.427,386 3.692,387 2.768,388 5.465,389 3.442,390 2.486,391 2.789,392 0.13,393 7.313,394 2.362,395 3.45,396 2.451,397 5.415,398 3.07,399 2.121,400 2.685,402 6.744,403 2.006,404 3.284,405 2.387,406 4.879,407 3.028,408 2.043,409 2.379,411 5.638,412 1.992,413 2.96,414 2.121,415 4.783,416 2.839,417 1.879,418 2.161,420 5.327,421 1.794,422 2.879,423 2.093,424 4.7,425 2.492,426 1.535,427 1.879,428 4.616,429 1.459,430 2.77,431 1.545,432 4.404,433 2.44,434 1.488,435 1.784,436 4.237,437 1.411,438 2.62,439 1.535,440 4.206,441 2.215,442 1.272,443 1.652,445 3.584,446 1.188,447 2.5,448 1.115,449 3.946,450 2.003,451 1.049,452 1.5,454 2.85,455 1,456 2.392,457 1.096,458 3.664,459 2,460 1,461 1.333,463 2.275,464 0.994,465 19.033,466 0.464,467 1.267,468 0.031,469 46.75,470 1.14,471 18,472 0.439,473 28.75,474 0.701,475 46.941,476 1.145,477 46.367,478 0.587,479 40.368,480 0.985,481 8.587,482 0.209,483 11.076,484 0.27,485 0.14,486 0.026,487 0.352,493 0.791,494 1.608,495 0.803,496 1.303,497 0.605,498 1.086,499 0.799,500 1.117,501 0.819,502 0.993,503 0.479,504 0.915,505 1.318,506 1.234,507 1.106,508 1.075,509 0.897,510 1.063,511 1.085,512 0.877,513 0.916,514 0.809,515 1.169,516 0.82,517 1.421,518 1.013,519 1.089,520 0.847,521 1.775,522 0.899,523 0.838,524 1.222,525 1.15,526 1.2,527 0.747,528 1.214,529 0.595,530 1.135,531 0.94,532 1.1,533 0.439,534 1.076,535 0.529,536 0.864,537 0.866,538 0.991,539 0.45,540 0.984,541 10.5,542 0.489,543 4.667,544 2.632,545 2.04,546 1.809,547 1.076,548 0.727,549 0.542,550 0.486,551 27944,552 68885,553 2.111,554 48.1,556 18,558 1,559 2,561 13,562 4,564 1.81,565 1.96,566 3.731,567 0.185,573 125.696,574 1.591,575 3.722,576 4.911,577 5.164,578 5.164,579 5.164,580 3.22,581 4.754,582 5.319,583 3.979,584 3262.66,585 9.432,586 56846.7,591 497.999,592 1.571,593 5.278,594 0.228,595 0.009,596 0.069,597 0.039,598 0.031,599 0.027,600 0.016,601 0.011,602 0.009,603 0.008,604 0.447,605 0.17,606 0.63,607 1.174,608 231.931,609 -0.007,610 -0.283,611 0.082,612 -0.132,613 -0.029,614 -0.028,615 0.204,616 0.052,617 0.14,618 0.047,619 0.193,620 0.077,621 -0.18,622 -0.173,623 -0.117,624 -0.069,625 -0.08,626 -0.086,627 -0.064,628 0.116,629 0.09,630 0.127,631 -0.034,632 0.136,633 -0.243,634 0.071,635 -0.092,636 0.141,637 -0.258,638 0.062,639 -0.072,640 -0.035,641 -0.226,642 -0.147,643 -0.105,644 -0.204,645 0.093,646 -0.095,647 0.002,648 -0.08,649 0.054,650 -0.058,651 0.174,652 0.128,653 0.088,654 0.016,655 0.152,656 0.034,657 1.943,658 5.617,659 0.707,660 59.024,661 1.005,662 1.14,663 3.264,664 10.657,665 0.637,666 3.85,667 4.234,668 4.5,669 4.82,670 5.088,671 5.298,672 5.541,673 5.765,674 5.981,675 6.186,676 8.465,677 0.607,678 562.75,679 3.85,680 5.434,681 6.297,682 7.206,683 8.088,684 9.001,685 9.895,686 10.811,687 11.714,688 12.633,689 10.1,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 79,733 18,734 1,735 46,737 84,738 29,739 11,740 2,741 4,746 6,747 8,751 1,752 3,755 7,758 7,761 13,762 16,763 1,766 2,771 2,775 2,781 38,782 11,783 2,784 12,790 8,794 0.667,795 4,801 1,803 1,806 1,811 2,812 4,813 1,815 1,837 1,839 1,840 4,844 4,848 41,854 8,855 2,856 2,858 3,859 2,860 1,870 5.1,873 2,874 1,875 1,877 20.917,878 15.283,879 8.653,880 4.965,881 3.063,882 1.338,883 0.971,884 7.832,885 12.13,886 4.043,887 4.623,888 5.163,889 5.772,890 6.322,891 6.784,892 7.315,893 7.807,894 8.202,895 8.643,896 0.9,897 67,898 15.275,900 6.658,901 7.685,902 29.528,904 25.169,905 2.185,906 89.583,910 423.76,911 126.31,912 94.281,914 72.29,917 126.31,918 496.049,919 94.281,920 34.872,921 57.707,922 37.905,923 125.01,924 35.791,925 13.366,926 411.989,928 423.76,929 220.591,930 72.29,933 225.979,934 261.398,935 11,937 96.722,938 71.307,939 50.234,941 423.76,942 166.57,943 126.31,946 423.76,947 44.486,948 89.85,949 36.022,950 122.524,951 423.76,952 166.57,953 126.31,955 0.596,956 0.332,957 0.178,958 0.096,959 35,960 16,961 0.071,962 6,963 3,964 1.172,965 4.939,966 437.384,967 0.207,968 28,969 200.905,974 28.197,975 11.388,976 6.153,977 1.703,978 164.794,979 9.397,980 14.904,984 3.001,985 2.007,986 36.022,987 716.64,988 56,993 24.353,997 -0.55,999 79.378,1000 90.052,1001 0.252,1002 0.59,1003 0.779,1004 0.819,1005 0.819,1006 0.819,1007 5.342,1008 2.121,1009 6.326,1010 7.313,1011 4.92,1012 5.311,1013 2.857,1014 7.182,1015 4.815,1016 6.55,1017 2.043,1018 7.914,1019 6.744,1020 4.691,1021 5.231,1022 2.2,1023 8.238,1024 4.533,1025 7.871,1026 1.879,1027 9.599,1028 5.638,1029 6.597,1030 7.463,1031 3.824,1032 11.274,1033 6.378,1034 9.221,1035 1.535,1036 11.339,1037 5.327,1038 7.132,1039 8.196,1040 3.876,1041 13.099,1042 6.852,1043 10.602,1044 1.488,1045 13.114,1046 4.616,1047 8.553,1048 9.975,1049 5.122,1050 15.701,1051 8.219,1052 12.005,1053 1.272,1054 14.913,1055 4.237,1056 9.419,1057 11.104,1058 5.498,1059 17.847,1060 9.021,1061 13.424,1062 1.049,1063 16.729,1064 3.584,1065 10.662,1066 12.716,1067 6.553,1068 20.311,1069 10.209,1070 3.296,1071 1,1072 18.559,1073 2.85,1074 11.679,1075 14.047,1076 7.101,1077 22.601,1078 11.163,1079 3.153,1080 11.631,1081 20.4,1082 2.275,1083 12.856,1084 15.598,1085 8.048,1086 25.024,1087 12.285,1088 2.932,1089 10.252,1090 22.25,1091 4.638,1092 13.945,1093 17.031,1094 8.696,1095 27.382,1096 13.312,1097 2.832,1098 9.705,1099 24.107,1100 3.796,1101 15.101,1102 18.561,1103 9.58,1104 29.798,1105 14.412,1106 2.706,1107 8.983,1108 25.971,1109 3.379,1110 16.225,1111 20.044,1112 10.287,1113 32.192,1114 15.475,1115 2.565,1116 8.35,1117 27.841,1118 3.275,1119 17.378,1120 21.57,1121 11.134,1122 34.612,1123 16.571,1124 2.486,1125 8.029,1126 29.715,1127 3.166,1128 18.52,1129 23.077,1130 11.875,1131 37.026,1132 17.655,1133 26286,1134 41436,1135 30.63,1136 50.285,1137 71.048,1138 73.075,1139 71.794,1140 70.258,1141 70.291,1142 84.624,1143 13.112,1144 212.219,1145 66.753,1146 5.695,1147 5.848,1148 6.457,1149 5.35,1150 5.296,1151 7.638,1152 3.912,1153 19.2,1154 5.124,1155 22.691,1156 1.545,1157 1.589,1158 1.561,1159 1.527,1160 1.528,1161 1.84,1162 0.285,1163 4.613,1164 1.451,1165 4.147,1166 4.198,1167 4.121,1168 3.989,1169 7.434,1170 4.014,1171 3.903,1172 3.952,1173 3.845,1174 3.808,1175 7.43,1176 3.813,1177 3.902,1178 3.937,1179 3.802,1180 3.731,1181 5.136,1182 3.74,1183 3.818,1184 3.865,1185 3.736,1186 3.639,1187 4.753,1188 3.651,1189 3.684,1190 3.74,1191 3.551,1192 3.536,1193 4.671,1194 3.529,1195 3.548,1196 3.616,1197 3.467,1198 3.254,1199 4.568,1200 3.299,1201 3.34,1202 3.411,1203 3.271,1204 3.076,1205 4.486,1206 3.115,1207 3.182,1208 3.256,1209 3.085,1210 2.971,1211 4.209,1212 2.982,1213 0.102,1214 0.084,1215 0.15,1216 0.092,1217 0.072,1218 4.695,1219 0.101,1220 3.848,1221 0.048,1222 6.906,1223 0.253,1224 4.244,1225 0.068,1226 3.296,1227 4.638,1228 2.208,1229 11.631,1230 3.124,1231 1.955,1232 1.923,1233 2.049,1234 2.101,1235 1.409,1236 2.083,1237 1.849,1238 1.798,1239 2.013,1240 2.025,1241 1.255,1242 2.021,1243 1.771,1244 1.727,1245 1.943,1246 1.948,1247 1.219,1248 1.937,1249 1.689,1250 1.636,1251 1.897,1252 1.888,1253 1.118,1254 1.904,1255 1.604,1256 1.543,1257 1.86,1258 1.79,1259 1.105,1260 1.798,1261 1.565,1262 1.52,1263 1.713,1264 1.76,1265 0.881,1266 1.767,1267 1.423,1268 1.349,1269 1.682,1270 1.714,1271 0.825,1272 1.705,1273 1.289,1274 1.218,1275 1.513,1276 1.601,1277 0.688,1278 1.554,1279 4.533,1281 5.9,1282 3.045,1283 7.442,1284 5.416,1285 9.065,1286 7.516,1287 10.733,1289 7.23,1295 6.414,1296 5.348,1297 11.683,1299 0.524,1300 4.092,1301 -0.522,1305 47.932,1306 125.696,1307 294.054,1308 387.96,1309 407.96,1310 407.96,1311 407.96,1312 79.082,1313 9.067,1314 126.74,1315 126.74,1316 34,1317 13.146,1318 4.248,1319 3.459,1320 59.175,1321 199,1322 244,1323 0.14,1324 288.581,1325 502.8,1326 695.897,1327 115461,1329 28.725,1330 0.701,1331 0.588,1332 28.725,1333 24.092,1334 19.663,1335 0.427,1336 0.313,1337 14.139,1338 18.664,1339 13.742,1340 11.337,1341 19.663,1342 14.394,1343 19.188,1344 0.282,1345 0.177,1346 19.188,1347 12.04,1348 15.312,1349 0.172,1350 0.088,1351 15.312,1352 7.867,1353 13.309,1354 0.108,1355 0.048,1356 13.309,1357 5.852,1358 10.703,1359 0.066,1360 0.026,1361 10.703,1362 4.2,1363 0.219,1364 124.636,1365 0.181,1366 36.455,1367 0.385,1368 228,1369 651.479,1370 259.019,1371 615.395,1372 851.08,1373 578,1374 271,1375 647.096,1376 302.029,1377 643.718,1378 951.72,1379 605,1380 5.831}
{0 CHEMBL600213,1 1.588,2 13.8,3 2.443,4 5.97,5 146.351,6 7.276,7 0.34,8 4.456,9 4.576,10 4.025,11 3.939,12 5.415,13 3.937,14 5.079,15 5.249,16 4.433,17 4.367,18 6.052,19 4.345,20 5.366,21 5.593,22 4.432,23 4.499,24 6.248,25 4.44,26 5.345,27 5.588,28 4.394,29 4.493,30 6.252,31 4.418,32 5.301,33 5.544,34 4.371,35 4.484,36 6.22,37 4.404,38 5.248,39 5.477,40 4.422,41 4.482,42 6.164,43 4.422,44 5.241,45 5.442,46 4.457,47 4.509,48 6.191,49 4.452,50 5.328,51 5.562,52 4.334,53 4.548,54 6.206,55 4.44,56 0.078,57 1.191,58 16.668,59 6.815,60 9.927,61 9.231,62 0.591,63 1.96,64 34.545,65 11.788,66 41.17,67 16.427,68 0.891,69 2.36,70 50.018,71 14.486,72 65.056,73 21.336,74 0.772,75 2.393,76 48.383,77 14.317,78 60.61,79 21.673,80 0.724,81 2.294,82 46.128,83 14.246,84 67.338,85 21.69,86 0.631,87 2.289,88 42.577,89 13.122,90 54.635,91 19.968,92 0.634,93 2.313,94 41.001,95 13.23,96 47.851,97 19.759,98 0.659,99 2.37,100 46.243,101 16.171,102 63.714,103 23.564,104 2,105 70,106 0.244,107 0.558,108 0.719,109 0.789,110 0.806,111 0.806,112 3.718,113 0.94,114 -4.88,115 -4.79,116 -4.49,119 38.7,121 8,125 4,127 4,131 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 8,174 4,175 15,178 2,179 1,180 4,183 6,186 2,187 14,192 2,195 4,198 5,199 14,204 5,207 3,211 3,212 12,217 2,220 6,223 2,224 11,227 2,229 1,232 8,236 5,237 15,245 12,249 2,250 2,253 4,255 1,258 14,262 4,263 6,266 1,271 12,275 3436,276 27.789,277 27.789,278 27.789,279 27.789,280 27.789,281 25.901,282 36.628,283 15.898,284 28.4,285 23.248,286 23.248,287 23.248,288 23.248,289 23.248,290 20.217,291 49.216,292 7.598,293 24.317,294 4.641,295 2.6,296 1.547,297 1.093,298 0.987,299 0.987,300 4.447,306 1283,307 3.742,308 82.109,310 298.135,311 456.684,312 122.741,314 167.588,318 2.06,319 40.322,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 87.5,331 552,332 4.695,333 3.84,334 7.209,335 4.36,336 3.375,337 4.638,338 1.656,339 12.672,340 3.329,341 4.363,342 3.566,343 6.904,344 4.231,345 3.279,346 3.797,347 1.392,348 11.626,349 3.115,350 4.181,351 3.413,352 6.346,353 3.844,354 2.914,355 3.407,356 0.86,357 9.688,358 2.753,359 4.028,360 3.192,361 6.114,362 3.801,363 2.829,364 3.323,365 0.8,366 8.983,367 2.704,368 3.885,369 2.89,370 5.771,371 3.701,372 2.733,373 3.174,374 0.532,375 8.077,376 2.644,377 3.73,378 2.772,379 5.632,380 3.536,381 2.583,382 2.848,383 0.247,384 7.815,385 2.456,386 3.644,387 2.673,388 5.419,389 3.391,390 2.425,391 2.787,393 7.098,394 2.338,395 3.311,396 2.419,397 5.384,398 3.071,399 2.126,400 2.419,402 6.76,403 2,404 3.266,405 2.284,406 4.879,407 2.942,408 1.944,409 2.359,411 5.638,412 1.924,413 2.953,414 2.093,415 4.72,416 2.839,417 1.879,418 2.14,420 5.2,421 1.794,422 2.879,423 1.859,424 4.686,425 2.462,426 1.523,427 1.879,428 4.577,429 1.425,430 2.696,431 1.568,432 4.398,433 2.434,434 1.48,435 1.725,436 4.225,437 1.407,438 2.576,439 1.535,440 4.111,441 2.297,442 1.373,443 1.602,445 3.244,446 1.258,447 2.5,448 1.478,449 3.802,450 2.056,451 1.104,452 1.5,454 2.869,455 1.048,456 2.387,457 1.135,458 3.79,459 2,460 1,461 1.38,463 2.372,464 1,465 18.633,466 0.466,467 0.996,468 0.025,469 45.25,470 1.131,471 16.5,472 0.413,473 28.75,474 0.719,475 44.236,476 1.106,477 44.367,478 0.592,479 35.702,480 0.893,481 7.9,482 0.197,483 11.706,484 0.293,485 0.018,486 0.027,487 0.338,493 0.819,494 1.459,495 0.767,496 1.215,497 0.634,498 1.014,499 1.008,500 1.243,501 0.928,502 1.138,503 0.655,504 1.041,505 1.385,506 1.071,507 1.054,508 0.894,509 1.026,510 0.917,511 1.019,512 1.003,513 1.023,514 0.939,515 0.996,516 0.963,517 0.866,518 1.04,519 0.932,520 0.909,521 1.279,522 0.921,523 0.835,524 1.034,525 0.94,526 0.922,527 0.826,528 0.925,529 0.826,530 1.215,531 1.052,532 1.127,533 0.626,534 1.112,535 0.696,536 0.957,537 1.066,538 1.106,539 0.627,540 1.136,541 9,542 0.302,543 4.278,544 2.167,545 1.931,546 1.622,547 1.029,548 0.589,549 0.484,550 0.424,551 29625,552 65787,553 2.282,554 46.7,556 16,558 1,559 2,561 12,562 4,564 1.805,565 2.212,566 3.687,567 0.174,573 119.104,574 1.588,575 3.629,576 4.682,577 5.135,578 5.242,579 5.242,580 3.209,581 4.603,582 5.284,583 3.927,584 3062.77,585 9.361,586 52031.1,591 467.161,592 1.217,593 5.28,594 0.191,595 0.006,596 0.064,597 0.033,598 0.031,599 0.026,600 0.015,601 0.009,602 0.008,603 0.008,604 0.391,605 0.17,606 0.63,607 0.266,608 224.05,609 -0.009,610 -0.186,611 0.096,612 -0.081,613 0.001,614 0.01,615 0.099,616 -0.104,617 0.022,618 -0.103,619 0.131,620 -0.067,621 -0.193,622 -0.06,623 -0.046,624 0.071,625 -0.083,626 0.037,627 -0.091,628 0.049,629 -0.044,630 0.017,631 -0.038,632 -0.002,633 -0.022,634 -0.002,635 0.034,636 0.077,637 -0.096,638 0.067,639 -0.03,640 0.077,641 0.009,642 0.058,643 -0.046,644 0.049,645 0.016,646 -0.063,647 -0.121,648 -0.119,649 -0.006,650 -0.137,651 0.017,652 0.103,653 -0.133,654 -0.083,655 0.022,656 -0.124,657 1.83,658 5.194,659 0.9,660 54.395,661 1.005,662 1.135,663 3.651,664 13.33,665 0.647,666 3.871,667 4.263,668 4.564,669 4.89,670 5.147,671 5.357,672 5.602,673 5.82,674 6.045,675 6.265,676 8.196,677 0.618,678 545.71,679 3.871,680 5.46,681 6.347,682 7.261,683 8.16,684 9.076,685 9.983,686 10.902,687 11.813,688 12.734,689 9.3,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 75,733 17,734 1,735 47,737 82,738 29,739 11,740 2,741 4,746 8,747 10,751 1,755 13,758 13,761 12,762 17,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 7,794 0.625,795 4,801 1,803 1,806 1,809 1,811 3,812 4,813 1,815 1,839 3,840 5,848 40,854 12,855 2,856 3,858 4,859 1,860 1,870 5.3,873 1,874 3,877 18.083,878 13.167,879 8.333,880 5.007,881 3.067,882 1.33,883 1.02,884 6.304,885 12.359,886 4.043,887 4.623,888 5.18,889 5.79,890 6.339,891 6.797,892 7.33,893 7.823,894 8.226,895 8.671,896 1,897 66,898 14.955,900 6.77,901 7.544,902 29.507,904 26.522,905 2.044,906 81.75,910 388.446,911 99.787,912 91.156,914 58.145,917 99.787,918 446.591,919 91.156,921 69.694,922 37.905,923 121.865,924 24.792,925 6.604,926 376.675,928 388.446,929 190.944,930 58.145,933 202.437,934 213.483,935 33,937 82.233,938 56.148,939 50.234,941 388.446,942 149.301,943 99.787,946 388.446,947 52.835,948 51.853,949 36.022,950 108.379,951 388.446,952 149.301,953 99.787,955 0.597,956 0.341,957 0.187,958 0.097,959 40,960 15,961 0.061,962 5,963 3,964 1.167,965 5.125,966 440.888,967 0.167,968 36,969 192.877,974 25.127,975 10.036,976 5.046,977 1.841,978 147.524,979 9.693,980 15.072,984 3.222,985 2.096,986 36.022,987 637.535,988 56,993 12.194,997 -0.163,999 75.392,1000 85.139,1001 0.255,1002 0.583,1003 0.752,1004 0.824,1005 0.842,1006 0.842,1007 5.352,1008 2.126,1009 6.361,1010 7.098,1011 4.949,1012 5.311,1013 2.54,1014 7.233,1015 4.862,1016 6.55,1017 1.944,1018 7.956,1019 6.76,1020 4.691,1021 5.198,1022 1.305,1023 8.393,1024 4.59,1025 7.874,1026 1.879,1027 9.653,1028 5.638,1029 6.645,1030 7.458,1031 3.016,1032 11.439,1033 6.481,1034 9.228,1035 1.523,1036 11.413,1037 5.2,1038 7.194,1039 8.188,1040 2.354,1041 13.433,1042 7.015,1043 10.616,1044 1.48,1045 13.216,1046 4.577,1047 8.639,1048 9.975,1049 3.72,1050 16.061,1051 8.412,1052 12.026,1053 1.373,1054 15.049,1055 4.225,1056 9.537,1057 11.105,1058 3.414,1059 18.374,1060 9.291,1061 13.454,1062 1.104,1063 16.905,1064 3.244,1065 10.801,1066 12.719,1067 4.529,1068 20.899,1069 10.519,1070 3.375,1071 1,1072 18.778,1073 2.869,1074 11.855,1075 14.051,1076 4.466,1077 23.332,1078 11.553,1079 3.279,1080 12.672,1081 20.666,1082 2.372,1083 13.057,1084 15.602,1085 5.398,1086 25.838,1087 12.727,1088 2.914,1089 11.626,1090 22.565,1091 4.638,1092 14.182,1093 17.035,1094 5.504,1095 28.319,1096 13.832,1097 2.829,1098 9.688,1099 24.474,1100 3.797,1101 15.367,1102 18.565,1103 6.306,1104 30.826,1105 14.993,1106 2.733,1107 8.983,1108 26.391,1109 3.407,1110 16.525,1111 20.047,1112 6.531,1113 33.328,1114 16.133,1115 2.583,1116 8.077,1117 28.315,1118 3.323,1119 17.709,1120 21.572,1121 7.242,1122 35.84,1123 17.297,1124 2.425,1125 7.815,1126 30.244,1127 3.174,1128 18.885,1129 23.079,1130 7.551,1131 38.353,1132 18.455,1133 25962,1134 38875,1135 32.997,1136 48.517,1137 72.249,1138 73.902,1139 73.24,1140 71.676,1141 71.785,1142 85.072,1143 10.973,1144 218.078,1145 68.616,1146 5.695,1147 5.84,1148 6.773,1149 5.467,1150 5.375,1151 7.638,1152 3.048,1153 20.243,1154 5.329,1155 8.939,1156 1.537,1157 1.572,1158 1.558,1159 1.525,1160 1.527,1161 1.81,1162 0.233,1163 4.64,1164 1.46,1165 4.151,1166 4.2,1167 4.123,1168 3.994,1169 7.431,1170 4.018,1171 3.929,1172 3.978,1173 3.859,1174 3.817,1175 5.137,1176 3.821,1177 3.909,1178 3.953,1179 3.81,1180 3.755,1181 4.84,1182 3.753,1183 3.882,1184 3.921,1185 3.782,1186 3.744,1187 4.752,1188 3.748,1189 3.825,1190 3.862,1191 3.735,1192 3.676,1193 4.67,1194 3.686,1195 3.524,1196 3.573,1197 3.415,1198 3.306,1199 4.485,1200 3.322,1201 3.38,1202 3.429,1203 3.307,1204 3.129,1205 4.347,1206 3.17,1207 3.263,1208 3.345,1209 3.156,1210 3.02,1211 4.056,1212 3.04,1213 0.1,1214 0.082,1215 0.153,1216 0.093,1217 0.072,1218 4.695,1219 0.099,1220 3.84,1221 0.035,1222 7.209,1223 0.27,1224 4.36,1225 0.071,1226 3.375,1227 4.638,1228 1.656,1229 12.672,1230 3.329,1231 1.956,1232 1.925,1233 2.062,1234 2.099,1235 1.457,1236 2.083,1237 1.865,1238 1.822,1239 2.017,1240 2.015,1241 1.255,1242 2.019,1243 1.774,1244 1.735,1245 1.897,1246 1.945,1247 1.22,1248 1.935,1249 1.604,1250 1.543,1251 1.86,1252 1.781,1253 1.106,1254 1.798,1255 1.567,1256 1.524,1257 1.701,1258 1.76,1259 0.958,1260 1.756,1261 1.399,1262 1.34,1263 1.691,1264 1.667,1265 0.895,1266 1.669,1267 1.384,1268 1.328,1269 1.557,1270 1.658,1271 0.825,1272 1.636,1273 1.304,1274 1.242,1275 1.513,1276 1.598,1277 0.825,1278 1.554,1279 4.554,1280 1.946,1281 5.927,1282 4.263,1283 7.485,1284 6.304,1285 9.126,1286 8.235,1287 10.813,1295 10.882,1296 5.882,1297 18.056,1299 1.028,1300 2.361,1301 -0.414,1305 46.384,1306 119.104,1307 272.191,1308 351.161,1309 385.161,1310 393.161,1311 393.161,1312 62.895,1313 9.292,1314 115.66,1315 115.66,1316 42,1317 13.244,1318 4.17,1319 3.322,1320 48.369,1321 192,1322 231,1323 0.119,1324 269.927,1325 469.72,1326 650.382,1327 153168,1329 26.683,1330 0.667,1331 0.564,1332 26.683,1333 22.55,1334 19.606,1335 0.417,1336 0.313,1337 14.479,1338 18.673,1339 14.327,1340 11.586,1341 19.606,1342 14.723,1343 18.586,1344 0.266,1345 0.169,1346 18.586,1347 11.849,1348 15.959,1349 0.168,1350 0.091,1351 15.959,1352 8.678,1353 14.074,1354 0.107,1355 0.05,1356 14.074,1357 6.608,1358 11.351,1359 0.066,1360 0.027,1361 11.351,1362 4.687,1363 0.186,1364 123.937,1365 0.174,1366 35.817,1367 0.328,1368 234,1369 627.833,1370 264.488,1371 587.118,1372 827.78,1373 558,1374 285,1375 636.842,1376 316.466,1377 627.211,1378 943.43,1379 597,1380 4.921}
{0 CHEMBL600258,1 1.633,2 14.944,3 2.745,4 7.536,5 135.606,6 7.635,7 0.55,8 4.28,9 4.407,10 3.867,11 3.75,12 5.406,13 3.756,14 4.814,15 4.992,16 4.228,17 4.134,18 5.917,19 4.122,20 5.043,21 5.258,22 4.286,23 4.267,24 6.107,25 4.23,26 5.097,27 5.336,28 4.269,29 4.259,30 6.177,31 4.211,32 5.042,33 5.269,34 4.224,35 4.21,36 6.144,37 4.179,38 4.954,39 5.154,40 4.223,41 4.203,42 6.054,43 4.176,44 4.996,45 5.205,46 4.155,47 4.257,48 6.027,49 4.195,50 5.068,51 5.289,52 4.025,53 4.291,54 6.132,55 4.154,56 0.139,57 1.026,58 12.934,59 5.232,60 14.114,61 6.973,62 0.506,63 1.594,64 25.121,65 8.527,66 38.789,67 11.872,68 0.615,69 1.897,70 33.424,71 10.157,72 49.966,73 14.932,74 0.59,75 1.934,76 36.36,77 10.726,78 60.952,79 16.245,80 0.648,81 1.82,82 34.419,83 9.249,84 71.485,85 13.997,86 0.614,87 1.779,88 29.637,89 8.479,90 50.655,91 12.483,92 0.617,93 1.806,94 31.064,95 9.637,96 45.35,97 14.086,98 0.604,99 1.783,100 34.239,101 13.721,102 84.304,103 19.227,104 21,105 56,106 0.258,107 0.624,108 0.748,109 0.787,110 0.802,111 0.807,112 3.615,113 0.889,114 -4.53,115 -4.46,116 -4.2,119 39.1,120 2,125 5,127 1,142 8,143 2,144 2,146 1,147 1,149 1,159 1,161 1,166 2,172 8,174 4,175 4,178 2,179 1,180 5,183 9,186 5,187 6,192 6,195 4,198 5,199 14,204 8,211 1,212 10,217 4,223 1,224 14,227 2,228 1,229 2,232 6,236 3,237 5,245 12,249 2,250 2,253 5,254 1,258 12,263 4,266 2,271 4,275 2562,276 24.61,277 24.61,278 24.61,279 24.61,280 24.61,281 21.998,282 33.219,283 14.481,284 25.213,285 19.708,286 19.708,287 19.708,288 19.708,289 19.708,290 15.568,291 43.586,292 6.831,293 20.689,294 4.367,295 2.054,296 1.274,297 1.024,298 0.93,299 0.899,300 4.322,305 1,306 1181,307 3.742,310 93.287,311 465.377,314 163.617,318 2.29,319 35.465,322 0.75,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.75,330 79,331 538,332 4.689,333 3.562,334 6.887,335 4.221,336 3.278,337 4.637,338 1.656,339 11.538,340 3.09,341 4.182,342 3.369,343 6.257,344 3.793,345 2.822,346 3.796,347 0.86,348 9.27,349 2.744,350 4.063,351 2.986,352 6.107,353 3.689,354 2.747,355 3.647,356 0.8,357 8.928,358 2.636,359 3.961,360 2.824,361 5.597,362 3.659,363 2.693,364 3.352,365 0.765,366 7.71,367 2.548,368 3.808,369 2.8,370 5.416,371 3.463,372 2.493,373 3.16,374 0.247,375 7.147,376 2.409,377 3.562,378 2.479,379 5.399,380 3.204,381 2.236,382 2.867,384 6.489,385 2.16,386 3.321,387 2.385,388 5.159,389 3.105,390 2.156,391 2.492,393 6.412,394 2.038,395 3.265,396 2.332,397 4.649,398 2.833,399 1.837,400 2.408,402 4.992,403 1.817,404 2.957,405 2.093,406 4.606,407 2.6,408 1.689,409 2.149,411 4.437,412 1.534,413 2.873,414 1.535,415 4.397,416 2.429,417 1.473,418 1.942,420 4.202,421 1.402,422 2.506,423 1.478,424 3.77,425 2.101,426 1.217,427 1.508,428 2.922,429 1.068,430 2.5,431 1.256,432 3.671,433 2.027,434 1.042,435 1.5,436 2.576,437 1.025,438 2.5,439 1.153,440 3.414,441 2,442 1,443 1.5,445 2.275,446 1,447 2.312,448 1.057,449 3.414,450 2,451 1,452 1.293,454 2.275,455 1,456 2,457 1,458 3.408,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.7,466 0.464,467 0.832,468 0.023,469 47.5,470 1.319,471 23,472 0.639,473 24.5,474 0.681,475 31.398,476 0.872,477 39.1,478 0.611,479 39.164,480 1.088,481 9.409,482 0.261,483 8.104,484 0.225,485 0.1,487 0.347,493 0.84,494 1.395,495 0.766,496 1.144,497 0.752,498 0.972,499 0.931,500 1.147,501 0.846,502 0.977,503 0.7,504 0.916,505 1,506 1.121,507 0.961,508 0.97,509 0.794,510 0.954,511 0.881,512 1.096,513 0.901,514 0.986,515 0.86,516 0.94,517 1.26,518 1.08,519 1.032,520 0.877,521 1.372,522 0.887,523 1.172,524 1.122,525 1.139,526 0.986,527 1.081,528 1.024,529 1.012,530 0.983,531 1.218,532 1.032,533 0.756,534 1.116,535 0.443,536 1.064,537 1.108,538 1.394,539 0.6,540 1.395,541 7,542 0.17,543 3.778,544 2.035,545 1.925,546 1.524,547 1.05,548 0.431,549 0.378,550 0.328,551 21365,552 57870,553 2.12,554 43.8,556 19,559 3,561 6,564 1.772,565 2,566 3.762,567 0.856,573 104.543,574 1.633,575 3.946,576 4.726,577 4.976,578 5.07,579 5.101,580 3.232,581 4.67,582 5.137,583 4.001,584 2520.62,585 9.02,586 41265.6,591 384,592 1.352,593 5.109,594 0.175,595 0.006,596 0.067,597 0.035,598 0.034,599 0.028,600 0.019,601 0.009,602 0.009,603 0.011,604 0.394,605 0.17,606 0.63,607 0.727,608 198.553,609 -0.018,610 -0.147,611 0.057,612 -0.066,613 -0.073,614 -0.007,615 0.062,616 -0.014,617 0.067,618 0.032,619 0.044,620 0.035,621 -0.059,622 -0.042,623 -0.012,624 0.001,625 -0.011,626 -0.001,627 -0.009,628 -0.058,629 0.068,630 -0.03,631 0.026,632 0.025,633 -0.206,634 -0.024,635 -0.052,636 0.058,637 -0.165,638 0.045,639 -0.168,640 0.026,641 -0.206,642 -0.043,643 -0.131,644 -0.112,645 -0.148,646 0.141,647 -0.298,648 -0.056,649 -0.108,650 -0.169,651 0.241,652 -0.081,653 -0.191,654 -0.309,655 0.182,656 -0.336,657 2.029,658 5.4,659 0.75,660 45.167,661 1.01,662 1.137,663 3.304,664 10.914,665 0.657,666 3.714,667 4.043,668 4.331,669 4.615,670 4.875,671 5.017,672 5.209,673 5.352,674 5.447,675 5.576,676 8.52,677 0.634,678 488.61,679 3.714,680 5.263,681 6.12,682 7.004,683 7.881,684 8.774,685 9.661,686 10.559,687 11.454,688 12.357,689 12.5,695 1,696 2,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 1,731 64,733 23,734 2,735 40,737 68,738 25,739 16,740 4,741 8,746 5,747 6,751 1,752 3,758 1,761 17,762 8,766 1,771 1,775 1,781 28,782 10,783 3,784 11,790 8,794 0.8,795 3,796 1,806 1,811 1,812 4,815 1,838 1,839 1,840 4,844 2,848 36,853 1,854 5,855 2,856 1,858 1,859 1,867 1,870 4.7,871 1,873 1,874 1,877 18,878 11.983,879 7.917,880 3.845,881 4.082,882 1.483,883 0.974,884 7.208,885 12.527,886 3.97,887 4.577,888 5.187,889 5.814,890 6.384,891 6.764,892 7.242,893 7.681,894 7.997,895 8.411,896 0.9,897 58,898 13.291,900 5.659,901 7.759,902 25.3,904 20.671,905 2.259,906 81.333,910 294.278,911 131.532,912 107.697,914 78.828,917 131.532,918 373.106,919 107.697,920 17.65,921 49.418,922 118.493,923 104.635,924 21.258,925 6.604,926 294.278,928 294.278,929 239.229,930 78.828,933 225.979,934 95.772,935 53.683,937 72.704,938 97.423,939 66.775,941 294.278,942 186.525,943 131.532,946 294.278,947 38.072,948 98.361,949 36.022,950 145.603,951 294.278,952 186.525,953 131.532,955 0.58,956 0.339,957 0.185,958 0.103,959 27,960 12,961 0.088,962 6,963 1,964 1.074,965 4.685,966 348.101,967 0.074,968 27,969 172.117,974 24.286,975 10.685,976 5.4,977 1.363,978 184.749,979 14.363,980 18.343,984 4.169,985 1.803,986 78.705,987 612.335,988 52,993 12.4,997 -0.362,999 64.632,1000 72.767,1001 0.272,1002 0.658,1003 0.788,1004 0.829,1005 0.845,1006 0.85,1007 5.212,1008 1.837,1009 6.103,1010 6.412,1011 4.727,1012 5.265,1013 2.242,1014 6.917,1015 4.635,1016 6.414,1017 1.689,1018 7.661,1019 4.992,1020 4.29,1021 5.075,1022 1.305,1023 7.82,1024 4.163,1025 7.721,1026 1.473,1027 9.317,1028 4.437,1029 6.323,1030 7.48,1031 2.597,1032 10.93,1033 6.138,1034 9.064,1035 1.217,1036 11.034,1037 4.202,1038 6.711,1039 8.146,1040 2.354,1041 12.689,1042 6.479,1043 10.442,1044 1.042,1045 12.79,1046 2.922,1047 8.2,1048 10.023,1049 3.3,1050 15.324,1051 7.918,1052 11.843,1053 1,1054 14.574,1055 2.576,1056 8.974,1057 11.108,1058 3.414,1059 17.453,1060 8.636,1061 13.265,1062 1,1063 16.38,1064 2.275,1065 10.246,1066 12.769,1067 4.171,1068 19.938,1069 9.858,1070 3.278,1071 1,1072 18.202,1073 2.275,1074 11.213,1075 14.071,1076 4.466,1077 22.234,1078 10.762,1079 2.822,1080 11.538,1081 20.038,1082 2.136,1083 12.399,1084 15.641,1085 5.116,1086 24.675,1087 11.896,1088 2.747,1089 9.27,1090 21.886,1091 4.637,1092 13.462,1093 17.056,1094 5.504,1095 27.047,1096 12.895,1097 2.693,1098 8.928,1099 23.743,1100 3.796,1101 14.621,1102 18.592,1103 6.092,1104 29.478,1105 13.997,1106 2.493,1107 7.71,1108 25.609,1109 3.647,1110 15.734,1111 20.064,1112 6.531,1113 31.886,1114 15.045,1115 2.236,1116 7.147,1117 27.482,1118 3.352,1119 16.889,1120 21.59,1121 7.084,1122 34.318,1123 16.14,1124 2.156,1125 6.489,1126 29.362,1127 3.16,1128 18.029,1129 23.09,1130 7.551,1131 36.743,1132 17.215,1133 20022,1134 33124,1135 27.046,1136 42.023,1137 60.234,1138 61.572,1139 61.644,1140 59.879,1141 59.926,1142 77.574,1143 8.656,1144 172.335,1145 57.167,1146 5.689,1147 5.562,1148 6.689,1149 5.324,1150 5.278,1151 7.637,1152 2.912,1153 19.027,1154 5.09,1155 16.766,1156 1.506,1157 1.539,1158 1.541,1159 1.497,1160 1.498,1161 1.939,1162 0.216,1163 4.308,1164 1.429,1165 4.116,1166 4.173,1167 4.099,1168 3.948,1169 7.431,1170 3.973,1171 3.94,1172 3.976,1173 3.884,1174 3.851,1175 6.457,1176 3.853,1177 3.872,1178 3.907,1179 3.816,1180 3.769,1181 5.22,1182 3.782,1183 3.744,1184 3.807,1185 3.631,1186 3.517,1187 4.792,1188 3.533,1189 3.541,1190 3.607,1191 3.442,1192 3.365,1193 4.72,1194 3.364,1195 3.445,1196 3.494,1197 3.349,1198 3.189,1199 4.628,1200 3.231,1201 3.206,1202 3.263,1203 3.1,1204 2.992,1205 4.511,1206 3.01,1207 3.111,1208 3.206,1209 3.001,1210 2.941,1211 4.162,1212 2.91,1213 0.117,1214 0.089,1215 0.172,1216 0.106,1217 0.082,1218 4.689,1219 0.116,1220 3.562,1221 0.041,1222 6.887,1223 0.288,1224 4.221,1225 0.077,1226 3.278,1227 4.637,1228 1.656,1229 11.538,1230 3.09,1231 1.95,1232 1.918,1233 2.034,1234 2.091,1235 1.22,1236 2.07,1237 1.908,1238 1.88,1239 2.016,1240 2.017,1241 1.143,1242 2.017,1243 1.792,1244 1.747,1245 1.942,1246 1.952,1247 1.138,1248 1.953,1249 1.678,1250 1.61,1251 1.914,1252 1.919,1253 1.095,1254 1.917,1255 1.523,1256 1.467,1257 1.655,1258 1.744,1259 0.825,1260 1.725,1261 1.317,1262 1.272,1263 1.513,1264 1.604,1265 0.764,1266 1.568,1267 1.153,1268 1.064,1269 1.496,1270 1.4,1271 0.601,1272 1.429,1273 1.109,1274 1.062,1275 1.417,1276 1.376,1277 0.469,1278 1.379,1279 4.394,1281 5.72,1282 2.398,1283 7.241,1284 4.727,1285 8.848,1286 6.862,1287 10.504,1289 4.077,1294 9.147,1295 2.668,1296 5.601,1297 5.508,1299 0.097,1300 2.156,1305 40.584,1306 104.543,1307 252.513,1308 302.49,1309 318.49,1310 324.49,1311 326.49,1312 60.471,1313 8.445,1314 130.32,1315 130.32,1316 29,1317 12.879,1318 4.585,1319 3.7,1320 54.697,1321 183,1322 226,1323 0.143,1324 247.754,1325 420.99,1326 596.279,1327 61816,1329 25.07,1330 0.696,1331 0.561,1332 25.07,1333 20.179,1334 17.512,1335 0.438,1336 0.296,1337 11.638,1338 16.651,1339 11.376,1340 9.417,1341 17.512,1342 11.855,1343 15.759,1344 0.281,1345 0.157,1346 15.759,1347 8.782,1348 13.318,1349 0.178,1350 0.079,1351 13.318,1352 5.9,1353 11.304,1354 0.113,1355 0.04,1356 11.304,1357 3.978,1358 9.22,1359 0.071,1360 0.021,1361 9.22,1362 2.69,1363 0.23,1364 111.012,1365 0.192,1366 33.33,1367 0.379,1368 192,1369 584.157,1370 215.739,1371 559.51,1372 773.24,1373 526,1374 227,1375 581.909,1376 252.075,1377 583.335,1378 857.71,1379 549,1380 8.456}
{0 CHEMBL600366,1 1.578,2 15.442,3 3.53,4 12.462,5 158.918,6 7.458,7 0.44,8 4.49,9 4.607,10 4.077,11 3.996,12 5.5,13 3.994,14 5.098,15 5.257,16 4.501,17 4.434,18 6.112,19 4.416,20 5.399,21 5.615,22 4.499,23 4.568,24 6.313,25 4.51,26 5.389,27 5.633,28 4.437,29 4.546,30 6.308,31 4.467,32 5.335,33 5.576,34 4.442,35 4.525,36 6.289,37 4.453,38 5.286,39 5.509,40 4.479,41 4.519,42 6.26,43 4.468,44 5.264,45 5.461,46 4.513,47 4.555,48 6.249,49 4.504,50 5.354,51 5.576,52 4.414,53 4.618,54 6.267,55 4.516,56 0.077,57 1.222,58 16.402,59 7.042,60 11.636,61 9.204,62 0.571,63 2.044,64 33.691,65 12.341,66 43.395,67 16.428,68 0.852,69 2.532,70 50.338,71 15.699,72 67.833,73 21.971,74 0.768,75 2.57,76 50.034,77 15.46,78 66.897,79 22.684,80 0.688,81 2.425,82 47.169,83 15.129,84 69.577,85 22.334,86 0.686,87 2.406,88 43.677,89 13.563,90 65.334,91 19.81,92 0.661,93 2.407,94 40.943,95 13.659,96 52.158,97 19.562,98 0.638,99 2.519,100 46.007,101 16.954,102 66.123,103 23.916,104 2,105 73,106 0.239,107 0.564,108 0.711,109 0.788,110 0.805,111 0.809,112 3.788,113 0.917,114 -5.5,115 -5.37,116 -5.02,119 41,121 6,125 4,127 3,131 1,142 9,143 2,144 2,145 1,147 1,149 1,159 1,161 1,166 1,172 11,174 4,175 15,178 2,179 1,180 4,183 10,186 2,187 14,192 4,195 6,198 5,199 14,204 6,207 3,211 3,212 14,217 4,220 6,223 2,224 12,227 2,229 2,232 8,236 5,237 15,245 16,249 2,250 2,253 4,255 1,258 20,262 4,263 6,266 1,271 16,275 4397,276 29.911,277 29.911,278 29.911,279 29.911,280 29.911,281 27.271,282 36.628,283 17.384,284 30.522,285 24.748,286 24.748,287 24.748,288 24.748,289 24.748,290 20.689,291 49.216,292 8.323,293 25.817,294 4.707,295 2.565,296 1.594,297 1.087,298 0.974,299 0.949,300 4.521,306 1529,307 3.742,310 327.53,311 662.899,312 134.696,314 184.889,318 2.246,319 40.752,322 0.25,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.6,330 93.5,331 664,332 4.695,333 3.84,334 7.209,335 4.36,336 3.375,337 4.638,338 1.656,339 12.672,340 3.329,341 4.363,342 3.562,343 6.904,344 4.231,345 3.279,346 3.797,347 1.392,348 11.626,349 3.115,350 4.181,351 3.413,352 6.346,353 3.844,354 2.914,355 3.48,356 0.86,357 9.688,358 2.75,359 4.03,360 3.192,361 6.114,362 3.797,363 2.824,364 3.404,365 0.8,366 8.983,367 2.704,368 3.971,369 2.889,370 5.771,371 3.624,372 2.662,373 3.32,374 0.532,375 8.077,376 2.556,377 3.785,378 2.769,379 5.567,380 3.523,381 2.568,382 3.151,383 0.247,384 7.632,385 2.448,386 3.694,387 2.548,388 5.419,389 3.358,390 2.39,391 2.794,393 6.926,394 2.311,395 3.402,396 2.412,397 5.323,398 3.071,399 2.125,400 2.653,402 6.759,403 2,404 3.267,405 2.283,406 4.879,407 2.948,408 1.951,409 2.36,411 5.638,412 1.932,413 2.966,414 2.093,415 4.706,416 2.839,417 1.879,418 2.173,420 5.114,421 1.794,422 2.879,423 1.859,424 4.667,425 2.463,426 1.523,427 1.974,428 4.577,429 1.433,430 2.843,431 1.568,432 4.395,433 2.456,434 1.5,435 1.879,436 4.222,437 1.425,438 2.696,439 1.535,440 4.111,441 2.364,442 1.382,443 1.724,445 3.245,446 1.354,447 2.576,448 1.519,449 3.802,450 2.296,451 1.364,452 1.602,454 2.989,455 1.258,456 2.5,457 1.478,458 3.79,459 2.055,460 1.103,461 1.5,463 2.868,464 1.047,465 20.133,466 0.468,467 0.996,468 0.023,469 53.25,470 1.238,471 23,472 0.535,473 30.25,474 0.703,475 44.727,476 1.04,477 46.467,478 0.596,479 43.675,480 1.016,481 9.829,482 0.229,483 11.277,484 0.262,485 0.017,486 0.025,487 0.313,493 0.823,494 1.384,495 0.752,496 1.154,497 0.652,498 0.971,499 1.013,500 1.197,501 0.909,502 1.096,503 0.674,504 1.007,505 1.39,506 1.12,507 1.086,508 0.949,509 1.024,510 0.969,511 0.997,512 0.998,513 1.028,514 0.938,515 0.861,516 0.967,517 0.851,518 1.053,519 0.891,520 0.908,521 1.204,522 0.898,523 0.986,524 1.006,525 0.976,526 0.885,527 1.144,528 0.9,529 0.894,530 1.143,531 1.048,532 1.051,533 0.75,534 1.055,535 0.71,536 0.952,537 1.09,538 1.105,539 0.649,540 1.145,541 9,542 0.319,543 4.222,544 2.326,545 1.992,546 1.709,547 1.1,548 0.573,549 0.506,550 0.471,551 36395,552 85108,553 2.261,554 44.9,556 20,558 1,559 2,561 8,562 4,564 1.82,565 2.196,566 3.831,567 0.137,573 123.085,574 1.578,575 3.721,576 4.692,577 5.199,578 5.311,579 5.337,580 3.344,581 4.775,582 5.389,583 4.071,584 3676.19,585 9.561,586 66861.3,591 490.261,592 1.177,593 5.386,594 0.18,595 0.006,596 0.058,597 0.033,598 0.03,599 0.025,600 0.015,601 0.008,602 0.008,603 0.008,604 0.371,605 0.17,606 0.5,607 0.252,608 247.642,609 -0.008,610 -0.167,611 0.088,612 -0.076,613 -0.014,614 0.007,615 0.103,616 -0.076,617 0.02,618 -0.082,619 0.113,620 -0.056,621 -0.193,622 -0.105,623 -0.085,624 0.016,625 -0.084,626 -0.018,627 -0.08,628 0.044,629 -0.042,630 0.007,631 0.011,632 -0.007,633 0.008,634 -0.03,635 0.085,636 0.063,637 -0.022,638 0.084,639 -0.067,640 0.091,641 -0.012,642 0.065,643 -0.078,644 0.047,645 -0.001,646 -0.012,647 -0.118,648 -0.074,649 -0.029,650 -0.105,651 0.008,652 0.104,653 -0.162,654 -0.093,655 0.008,656 -0.143,657 1.965,658 5.513,659 0.907,660 63.192,661 1.005,662 1.13,663 4.268,664 18.214,665 0.66,666 3.932,667 4.304,668 4.625,669 4.949,670 5.204,671 5.394,672 5.631,673 5.849,674 6.068,675 6.288,676 8.962,677 0.633,678 581.74,679 3.932,680 5.509,681 6.389,682 7.294,683 8.187,684 9.097,685 9.999,686 10.913,687 11.821,688 12.739,689 9,695 1,696 2,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 78,733 23,734 2,735 50,737 85,738 32,739 17,740 3,741 9,746 8,747 10,751 1,755 10,758 10,761 18,762 14,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 7,794 0.625,795 4,801 1,803 1,806 1,811 3,812 5,813 1,815 1,839 3,840 5,848 43,854 10,855 2,856 3,858 3,859 1,860 1,870 5.1,873 1,874 3,877 19.583,878 13.75,879 9.083,880 5.014,881 3.885,882 1.409,883 1.024,884 7.125,885 13.395,886 4.143,887 4.73,888 5.305,889 5.913,890 6.457,891 6.853,892 7.371,893 7.86,894 8.255,895 8.707,896 1,897 71,898 16.02,900 7.145,901 7.572,902 31.318,904 27.479,905 2.072,906 89.083,910 388.446,911 144.856,912 91.156,914 58.145,917 144.856,918 446.591,919 91.156,921 64.625,922 85.286,923 121.865,924 27.548,925 6.604,926 376.675,928 388.446,929 236.012,930 58.145,933 249.521,934 166.398,935 33,937 77.164,938 106.286,939 50.234,941 388.446,942 149.301,943 144.856,946 388.446,947 50.522,948 99.235,949 36.022,950 108.379,951 388.446,952 149.301,953 144.856,955 0.59,956 0.346,957 0.192,958 0.101,959 40,960 15,961 0.059,962 5,963 3,964 1.154,965 5.338,966 478.496,967 0.154,968 39,969 211.329,974 27.18,975 11.271,976 5.432,977 1.812,978 147.524,979 18.949,980 15.094,984 3.83,985 2.088,986 36.022,987 682.603,988 62,993 12.513,997 -0.299,999 78.392,1000 88.139,1001 0.251,1002 0.592,1003 0.746,1004 0.827,1005 0.845,1006 0.849,1007 5.427,1008 2.125,1009 6.392,1010 6.926,1011 4.99,1012 5.418,1013 2.54,1014 7.251,1015 4.907,1016 6.619,1017 1.951,1018 7.975,1019 6.759,1020 4.635,1021 5.207,1022 1.305,1023 8.368,1024 4.527,1025 7.933,1026 1.879,1027 9.662,1028 5.638,1029 6.658,1030 7.571,1031 3.016,1032 11.437,1033 6.498,1034 9.281,1035 1.523,1036 11.415,1037 5.114,1038 7.155,1039 8.224,1040 2.354,1041 13.422,1042 6.97,1043 10.663,1044 1.5,1045 13.213,1046 4.577,1047 8.634,1048 10.073,1049 3.72,1050 16.057,1051 8.408,1052 12.069,1053 1.382,1054 15.044,1055 4.222,1056 9.509,1057 11.146,1058 3.414,1059 18.369,1060 9.259,1061 13.493,1062 1.364,1063 16.899,1064 3.245,1065 10.788,1066 12.791,1067 4.529,1068 20.896,1069 10.506,1070 3.375,1071 1.103,1072 18.772,1073 2.989,1074 11.834,1075 14.086,1076 4.466,1077 23.33,1078 11.529,1079 3.279,1080 12.672,1081 20.66,1082 2.868,1083 13.043,1084 15.649,1085 5.398,1086 25.837,1087 12.712,1088 2.914,1089 11.626,1090 22.56,1091 4.638,1092 14.165,1093 17.06,1094 5.504,1095 28.318,1096 13.814,1097 2.824,1098 9.688,1099 24.469,1100 3.797,1101 15.354,1102 18.594,1103 6.306,1104 30.826,1105 14.98,1106 2.662,1107 8.983,1108 26.387,1109 3.48,1110 16.513,1111 20.063,1112 6.531,1113 33.328,1114 16.12,1115 2.568,1116 8.077,1117 28.311,1118 3.404,1119 17.698,1120 21.589,1121 7.242,1122 35.84,1123 17.286,1124 2.39,1125 7.632,1126 30.241,1127 3.32,1128 18.875,1129 23.09,1130 7.551,1131 38.353,1132 18.445,1133 32229,1134 49472,1135 35.076,1136 51.517,1137 76.381,1138 77.712,1139 76.987,1140 75.85,1141 75.956,1142 93.406,1143 10.973,1144 226.47,1145 72.787,1146 5.695,1147 5.84,1148 7.011,1149 5.467,1150 5.375,1151 7.638,1152 3.048,1153 20.243,1154 5.329,1155 9.215,1156 1.528,1157 1.554,1158 1.54,1159 1.517,1160 1.519,1161 1.868,1162 0.219,1163 4.529,1164 1.456,1165 4.151,1166 4.2,1167 4.123,1168 3.995,1169 7.431,1170 4.019,1171 3.928,1172 3.967,1173 3.868,1174 3.829,1175 5.137,1176 3.832,1177 3.909,1178 3.95,1179 3.819,1180 3.807,1181 4.841,1182 3.804,1183 3.889,1184 3.921,1185 3.806,1186 3.744,1187 4.779,1188 3.752,1189 3.829,1190 3.862,1191 3.753,1192 3.678,1193 4.74,1194 3.69,1195 3.526,1196 3.575,1197 3.429,1198 3.306,1199 4.67,1200 3.323,1201 3.426,1202 3.472,1203 3.353,1204 3.166,1205 4.48,1206 3.212,1207 3.269,1208 3.352,1209 3.165,1210 3.029,1211 4.062,1212 3.051,1213 0.094,1214 0.077,1215 0.144,1216 0.087,1217 0.067,1218 4.695,1219 0.093,1220 3.84,1221 0.033,1222 7.209,1223 0.253,1224 4.36,1225 0.067,1226 3.375,1227 4.638,1228 1.656,1229 12.672,1230 3.329,1231 1.957,1232 1.925,1233 2.062,1234 2.1,1235 1.457,1236 2.083,1237 1.888,1238 1.855,1239 2.024,1240 2.021,1241 1.255,1242 2.024,1243 1.862,1244 1.82,1245 2.003,1246 1.99,1247 1.22,1248 1.994,1249 1.773,1250 1.734,1251 1.897,1252 1.932,1253 1.107,1254 1.929,1255 1.604,1256 1.543,1257 1.86,1258 1.771,1259 1.06,1260 1.798,1261 1.566,1262 1.523,1263 1.699,1264 1.76,1265 0.958,1266 1.75,1267 1.399,1268 1.34,1269 1.691,1270 1.658,1271 0.894,1272 1.669,1273 1.307,1274 1.248,1275 1.513,1276 1.6,1277 0.825,1278 1.554,1279 4.615,1281 5.974,1282 3.434,1283 7.521,1284 5.778,1285 9.154,1286 7.847,1287 10.833,1295 8.665,1296 5.747,1297 18.081,1299 0.674,1300 2.352,1301 -0.425,1305 49.384,1306 123.085,1307 290.206,1308 365.958,1309 405.506,1310 414.261,1311 416.261,1312 67.225,1313 9.51,1314 115.66,1315 115.66,1316 45,1317 13.251,1318 4.585,1319 3.7,1320 53.744,1321 223,1322 281,1323 0.112,1324 289.922,1325 502.8,1326 699.169,1327 207843,1329 28.805,1330 0.67,1331 0.557,1332 28.805,1333 23.946,1334 21.106,1335 0.422,1336 0.306,1337 15.036,1338 20.173,1339 14.853,1340 12.071,1341 21.106,1342 15.279,1343 19.647,1344 0.269,1345 0.163,1346 19.647,1347 11.921,1348 17.275,1349 0.171,1350 0.09,1351 17.275,1352 9.086,1353 15.261,1354 0.109,1355 0.049,1356 15.261,1357 6.926,1358 12.334,1359 0.068,1360 0.027,1361 12.334,1362 4.907,1363 0.177,1364 132.937,1365 0.169,1366 38.148,1367 0.303,1368 246,1369 671.833,1370 276.488,1371 634.268,1372 893.05,1373 602,1374 297,1375 685.124,1376 328.466,1377 678.631,1378 1014.42,1379 645,1380 6.452}
{0 CHEMBL600367,1 1.61,2 15.442,3 2.38,4 5.662,5 156.761,6 7.568,7 0.44,8 4.483,9 4.601,10 4.082,11 3.975,12 5.508,13 3.98,14 5.091,15 5.251,16 4.503,17 4.412,18 6.117,19 4.402,20 5.384,21 5.599,22 4.499,23 4.55,24 6.309,25 4.498,26 5.378,27 5.619,28 4.438,29 4.537,30 6.306,31 4.461,32 5.331,33 5.572,34 4.443,35 4.517,36 6.289,37 4.447,38 5.279,39 5.501,40 4.482,41 4.509,42 6.273,43 4.46,44 5.254,45 5.451,46 4.513,47 4.545,48 6.236,49 4.496,50 5.347,51 5.568,52 4.416,53 4.605,54 6.269,55 4.507,56 0.099,57 1.231,58 15.885,59 6.752,60 12.211,61 8.839,62 0.624,63 2.037,64 33.022,65 11.776,66 45.232,67 15.736,68 0.927,69 2.489,70 49.284,71 15.048,72 69.306,73 21.11,74 0.836,75 2.524,76 49.103,77 15.171,78 67.861,79 22.212,80 0.741,81 2.399,82 46.848,83 14.9,84 70.578,85 22.087,86 0.795,87 2.38,88 43.033,89 13.302,90 71.501,91 19.437,92 0.678,93 2.387,94 39.88,95 13.4,96 48.699,97 19.24,98 0.676,99 2.496,100 45.243,101 16.571,102 66.989,103 23.416,104 2,105 73,106 0.245,107 0.577,108 0.736,109 0.802,110 0.806,111 0.81,112 3.788,113 0.908,114 -4.59,115 -4.51,116 -4.25,119 40.3,121 6,125 4,127 3,131 1,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 7,174 4,175 17,178 2,179 1,180 4,183 7,186 2,187 14,192 2,195 4,198 5,199 14,202 1,204 5,207 3,211 3,212 12,217 2,220 6,223 3,224 11,227 3,229 1,232 8,236 5,237 15,245 12,249 2,250 4,253 4,255 1,258 14,262 4,263 8,266 1,271 12,275 4397,276 29.911,277 29.911,278 29.911,279 29.911,280 29.911,281 27.271,282 36.628,283 17.384,284 30.595,285 24.748,286 24.748,287 24.748,288 24.748,289 24.748,290 20.689,291 49.216,292 8.323,293 25.918,294 4.657,295 2.466,296 1.419,297 0.987,298 0.961,299 0.935,300 4.521,306 1529,307 3.742,310 327.53,311 662.899,312 134.696,314 184.889,318 2.246,319 42.477,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94,331 664,332 4.695,333 3.84,334 7.209,335 4.36,336 3.375,337 4.638,338 1.656,339 12.672,340 3.329,341 4.363,342 3.562,343 6.904,344 4.231,345 3.279,346 3.797,347 1.392,348 11.626,349 3.115,350 4.181,351 3.413,352 6.346,353 3.844,354 2.914,355 3.48,356 0.86,357 9.688,358 2.75,359 4.03,360 3.192,361 6.114,362 3.797,363 2.824,364 3.404,365 0.8,366 8.983,367 2.704,368 3.971,369 2.889,370 5.771,371 3.622,372 2.662,373 3.32,374 0.532,375 8.077,376 2.549,377 3.785,378 2.769,379 5.567,380 3.523,381 2.568,382 3.151,383 0.247,384 7.632,385 2.446,386 3.694,387 2.548,388 5.419,389 3.355,390 2.39,391 2.794,393 6.926,394 2.303,395 3.402,396 2.412,397 5.323,398 3.07,399 2.125,400 2.653,402 6.759,403 2,404 3.267,405 2.283,406 4.879,407 2.941,408 1.951,409 2.36,411 5.638,412 1.919,413 2.966,414 2.093,415 4.706,416 2.839,417 1.879,418 2.173,420 5.114,421 1.794,422 2.879,423 1.859,424 4.667,425 2.462,426 1.523,427 1.974,428 4.577,429 1.425,430 2.843,431 1.568,432 4.395,433 2.446,434 1.5,435 1.879,436 4.222,437 1.416,438 2.696,439 1.535,440 4.111,441 2.316,442 1.382,443 1.724,445 3.245,446 1.286,447 2.576,448 1.519,449 3.802,450 2.295,451 1.364,452 1.602,454 2.989,455 1.257,456 2.5,457 1.478,458 3.79,459 2.055,460 1.103,461 1.5,463 2.868,464 1.047,465 20.033,466 0.466,467 0.996,468 0.023,469 53.75,470 1.25,471 23,472 0.535,473 30.75,474 0.715,475 44.433,476 1.033,477 46.567,478 0.605,479 43.968,480 1.023,481 9.91,482 0.23,483 11.196,484 0.26,485 0.017,486 0.025,487 0.314,493 0.829,494 1.438,495 0.737,496 1.18,497 0.644,498 0.976,499 1.03,500 1.196,501 0.903,502 1.085,503 0.682,504 0.993,505 1.388,506 1.11,507 1.091,508 0.947,509 1.023,510 0.97,511 0.965,512 0.973,513 1.028,514 0.952,515 0.842,516 0.984,517 0.828,518 1.05,519 0.882,520 0.921,521 1.175,522 0.906,523 0.929,524 0.966,525 0.97,526 0.884,527 1.086,528 0.908,529 0.833,530 1.147,531 1.028,532 1.072,533 0.623,534 1.066,535 0.701,536 0.97,537 1.087,538 1.132,539 0.637,540 1.164,541 9,542 0.319,543 4.222,544 2.326,545 1.992,546 1.709,547 1.1,548 0.573,549 0.506,550 0.471,551 36395,552 88634,553 2.261,554 44.2,556 17,558 3,559 2,561 8,562 4,564 1.82,565 2.196,566 3.831,567 0.16,573 123.989,574 1.61,575 3.801,576 4.848,577 5.28,578 5.306,579 5.332,580 3.344,581 4.775,582 5.389,583 4.071,584 3676.19,585 9.561,586 66861.3,591 482.543,592 1.177,593 5.386,594 0.18,595 0.006,596 0.058,597 0.033,598 0.03,599 0.025,600 0.015,601 0.008,602 0.008,603 0.008,604 0.371,605 0.17,606 0.63,607 0.252,608 247.642,609 -0.019,610 -0.208,611 0.088,612 -0.096,613 -0.004,614 -0.002,615 0.075,616 -0.072,617 0.019,618 -0.071,619 0.107,620 -0.045,621 -0.211,622 -0.1,623 -0.095,624 0.024,625 -0.092,626 -0.015,627 -0.071,628 0.058,629 -0.049,630 0.005,631 0.012,632 -0.014,633 0.009,634 -0.041,635 0.09,636 0.063,637 -0.022,638 0.088,639 -0.03,640 0.121,641 -0.014,642 0.074,643 -0.042,644 0.045,645 0.005,646 -0.021,647 -0.111,648 -0.08,649 -0.011,650 -0.106,651 0.007,652 0.081,653 -0.164,654 -0.108,655 0.011,656 -0.155,657 1.993,658 5.493,659 0.907,660 63.192,661 1.008,662 1.133,663 3.363,664 11.31,665 0.659,666 3.932,667 4.304,668 4.625,669 4.949,670 5.204,671 5.394,672 5.631,673 5.849,674 6.068,675 6.288,676 8.962,677 0.635,678 582.73,679 3.932,680 5.509,681 6.389,682 7.294,683 8.187,684 9.097,685 9.999,686 10.913,687 11.821,688 12.739,689 10.4,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 77,733 23,734 1,735 50,737 84,738 31,739 16,740 2,741 4,746 8,747 10,751 1,755 10,758 10,761 17,762 14,766 1,771 1,775 1,781 34,782 11,783 2,784 12,790 8,794 0.625,795 4,801 1,803 1,805 1,806 1,811 3,812 5,813 1,815 1,839 3,840 5,848 43,854 10,855 2,856 3,858 3,859 1,860 1,870 5.2,873 1,874 3,877 19.583,878 13.617,879 9.083,880 4.925,881 3.885,882 1.409,883 1.022,884 7.085,885 13.395,886 4.143,887 4.73,888 5.305,889 5.913,890 6.457,891 6.853,892 7.371,893 7.86,894 8.255,895 8.707,896 1,897 71,898 16.005,900 7.136,901 7.595,902 31.188,904 27.296,905 2.095,906 90.083,910 376.675,911 134.522,912 107.942,914 58.145,917 134.522,918 434.82,919 107.942,921 64.625,922 56.857,923 162.193,924 45.643,925 6.604,926 341.362,928 376.675,929 242.464,930 58.145,933 237.75,934 166.398,935 33,937 95.259,938 77.858,939 67.02,941 376.675,942 166.087,943 134.522,946 376.675,947 50.522,948 88.901,949 36.022,950 125.164,951 376.675,952 166.087,953 134.522,955 0.59,956 0.346,957 0.192,958 0.101,959 40,960 15,961 0.06,962 5,963 3,964 1.154,965 5.338,966 478.496,967 0.154,968 39,969 211.329,974 27.12,975 11.234,976 5.41,977 1.803,978 164.31,979 16.268,980 19.054,984 3.732,985 2.084,986 36.022,987 677.284,988 62,993 12.493,997 -0.326,999 77.61,1000 87.222,1001 0.257,1002 0.607,1003 0.774,1004 0.843,1005 0.847,1006 0.851,1007 5.427,1008 2.125,1009 6.392,1010 6.926,1011 4.99,1012 5.418,1013 2.54,1014 7.251,1015 4.901,1016 6.619,1017 1.951,1018 7.975,1019 6.759,1020 4.635,1021 5.207,1022 1.305,1023 8.368,1024 4.527,1025 7.933,1026 1.879,1027 9.662,1028 5.638,1029 6.658,1030 7.571,1031 3.016,1032 11.437,1033 6.491,1034 9.281,1035 1.523,1036 11.415,1037 5.114,1038 7.155,1039 8.224,1040 2.354,1041 13.422,1042 6.97,1043 10.663,1044 1.5,1045 13.213,1046 4.577,1047 8.634,1048 10.073,1049 3.72,1050 16.057,1051 8.403,1052 12.069,1053 1.382,1054 15.044,1055 4.222,1056 9.509,1057 11.146,1058 3.414,1059 18.369,1060 9.259,1061 13.493,1062 1.364,1063 16.899,1064 3.245,1065 10.788,1066 12.791,1067 4.529,1068 20.896,1069 10.502,1070 3.375,1071 1.103,1072 18.772,1073 2.989,1074 11.834,1075 14.086,1076 4.466,1077 23.33,1078 11.529,1079 3.279,1080 12.672,1081 20.66,1082 2.868,1083 13.043,1084 15.649,1085 5.398,1086 25.837,1087 12.709,1088 2.914,1089 11.626,1090 22.56,1091 4.638,1092 14.165,1093 17.06,1094 5.504,1095 28.318,1096 13.813,1097 2.824,1098 9.688,1099 24.469,1100 3.797,1101 15.354,1102 18.594,1103 6.306,1104 30.826,1105 14.978,1106 2.662,1107 8.983,1108 26.387,1109 3.48,1110 16.513,1111 20.063,1112 6.531,1113 33.328,1114 16.119,1115 2.568,1116 8.077,1117 28.311,1118 3.404,1119 17.698,1120 21.589,1121 7.242,1122 35.84,1123 17.285,1124 2.39,1125 7.632,1126 30.241,1127 3.32,1128 18.875,1129 23.09,1130 7.551,1131 38.353,1132 18.445,1133 32229,1134 50492,1135 35.076,1136 50.762,1137 76.381,1138 77.712,1139 76.987,1140 75.842,1141 75.956,1142 93.406,1143 10.973,1144 226.47,1145 72.52,1146 5.695,1147 5.84,1148 7.011,1149 5.467,1150 5.375,1151 7.638,1152 3.048,1153 20.243,1154 5.329,1155 9.215,1156 1.528,1157 1.554,1158 1.54,1159 1.517,1160 1.519,1161 1.868,1162 0.219,1163 4.529,1164 1.45,1165 4.151,1166 4.2,1167 4.123,1168 3.994,1169 7.431,1170 4.018,1171 3.921,1172 3.962,1173 3.863,1174 3.816,1175 5.137,1176 3.82,1177 3.906,1178 3.948,1179 3.813,1180 3.746,1181 4.91,1182 3.756,1183 3.876,1184 3.914,1185 3.801,1186 3.744,1187 4.839,1188 3.751,1189 3.822,1190 3.858,1191 3.75,1192 3.675,1193 4.75,1194 3.687,1195 3.525,1196 3.575,1197 3.426,1198 3.306,1199 4.67,1200 3.322,1201 3.414,1202 3.463,1203 3.347,1204 3.146,1205 4.481,1206 3.194,1207 3.267,1208 3.351,1209 3.164,1210 3.025,1211 4.084,1212 3.047,1213 0.094,1214 0.077,1215 0.144,1216 0.087,1217 0.067,1218 4.695,1219 0.093,1220 3.84,1221 0.033,1222 7.209,1223 0.253,1224 4.36,1225 0.067,1226 3.375,1227 4.638,1228 1.656,1229 12.672,1230 3.329,1231 1.957,1232 1.925,1233 2.062,1234 2.1,1235 1.457,1236 2.083,1237 1.866,1238 1.823,1239 2.018,1240 2.02,1241 1.255,1242 2.021,1243 1.822,1244 1.781,1245 1.933,1246 1.981,1247 1.22,1248 1.969,1249 1.771,1250 1.732,1251 1.896,1252 1.928,1253 1.106,1254 1.925,1255 1.604,1256 1.543,1257 1.86,1258 1.77,1259 0.958,1260 1.798,1261 1.566,1262 1.523,1263 1.699,1264 1.76,1265 0.948,1266 1.75,1267 1.399,1268 1.34,1269 1.691,1270 1.658,1271 0.894,1272 1.669,1273 1.306,1274 1.246,1275 1.513,1276 1.599,1277 0.825,1278 1.554,1279 4.615,1281 5.974,1282 3.434,1283 7.521,1284 5.778,1285 9.154,1286 7.847,1287 10.833,1295 8.634,1296 5.686,1297 18.073,1299 0.664,1300 2.348,1301 -0.428,1305 48.879,1306 123.989,1307 292.687,1308 373.258,1309 406.543,1310 408.543,1311 410.543,1312 67.192,1313 9.51,1314 128.55,1315 128.55,1316 45,1317 13.251,1318 4.585,1319 3.7,1320 53.744,1321 223,1322 281,1323 0.112,1324 287.124,1325 496.5,1326 692.342,1327 207843,1329 28.805,1330 0.67,1331 0.554,1332 28.805,1333 23.816,1334 21.106,1335 0.422,1336 0.303,1337 14.868,1338 20.094,1339 14.7,1340 11.934,1341 21.106,1342 15.129,1343 19.647,1344 0.269,1345 0.162,1346 19.647,1347 11.791,1348 17.275,1349 0.171,1350 0.089,1351 17.275,1352 8.992,1353 15.261,1354 0.109,1355 0.049,1356 15.261,1357 6.84,1358 12.334,1359 0.068,1360 0.027,1361 12.334,1362 4.841,1363 0.177,1364 133.437,1365 0.169,1366 38.148,1367 0.303,1368 246,1369 691.479,1370 277.876,1371 651.377,1372 914.41,1373 618,1374 297,1375 699.237,1376 329.798,1377 691.976,1378 1032.54,1379 657,1380 6.658}
{0 CHEMBL600368,1 1.61,2 15.442,3 2.38,4 5.662,5 156.761,6 7.568,7 0.44,8 4.483,9 4.601,10 4.082,11 3.975,12 5.508,13 3.98,14 5.091,15 5.251,16 4.503,17 4.412,18 6.116,19 4.402,20 5.385,21 5.599,22 4.501,23 4.549,24 6.313,25 4.497,26 5.378,27 5.621,28 4.437,29 4.531,30 6.305,31 4.457,32 5.324,33 5.563,34 4.446,35 4.514,36 6.299,37 4.444,38 5.276,39 5.5,40 4.478,41 4.509,42 6.247,43 4.46,44 5.256,45 5.452,46 4.516,47 4.541,48 6.252,49 4.495,50 5.348,51 5.572,52 4.416,53 4.6,54 6.27,55 4.503,56 0.099,57 1.231,58 15.885,59 6.752,60 12.211,61 8.839,62 0.624,63 2.037,64 33.022,65 11.776,66 44.899,67 15.736,68 0.939,69 2.491,70 49.282,71 15.123,72 70.12,73 21.17,74 0.829,75 2.521,76 49.262,77 14.974,78 67.877,79 22.065,80 0.799,81 2.39,82 46.397,83 14.776,84 75.95,85 21.85,86 0.712,87 2.377,88 42.804,89 13.291,90 62.46,91 19.506,92 0.696,93 2.39,94 40.026,95 13.275,96 52.24,97 19.044,98 0.699,99 2.495,100 45.521,101 16.383,102 68.144,103 23.238,104 2,105 73,106 0.245,107 0.577,108 0.743,109 0.816,110 0.825,111 0.825,112 3.788,113 0.908,114 -4.59,115 -4.51,116 -4.25,119 40.3,121 6,125 4,127 3,131 1,142 6,143 2,144 2,145 3,147 1,149 1,159 1,161 1,166 1,172 8,174 4,175 16,178 2,179 1,180 3,183 6,186 2,187 15,190 1,192 3,195 4,198 5,199 13,204 4,207 3,211 4,212 13,215 1,217 3,220 6,223 2,224 11,227 2,229 1,232 6,236 5,237 17,245 12,249 2,250 4,253 4,255 1,258 15,262 4,263 7,266 1,271 13,275 4397,276 29.911,277 29.911,278 29.911,279 29.911,280 29.911,281 27.271,282 36.628,283 17.384,284 30.587,285 24.748,286 24.748,287 24.748,288 24.748,289 24.748,290 20.689,291 49.216,292 8.323,293 25.913,294 4.657,295 2.466,296 1.377,297 0.893,298 0.831,299 0.831,300 4.521,306 1529,307 3.742,310 327.53,311 662.899,312 134.696,314 184.889,318 2.246,319 42.498,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 94,331 664,332 4.695,333 3.84,334 7.209,335 4.36,336 3.375,337 4.638,338 1.656,339 12.672,340 3.329,341 4.363,342 3.562,343 6.904,344 4.231,345 3.279,346 3.797,347 1.392,348 11.626,349 3.115,350 4.181,351 3.413,352 6.346,353 3.844,354 2.914,355 3.48,356 0.86,357 9.688,358 2.75,359 4.03,360 3.192,361 6.114,362 3.797,363 2.824,364 3.404,365 0.8,366 8.983,367 2.704,368 3.971,369 2.889,370 5.771,371 3.62,372 2.662,373 3.32,374 0.532,375 8.077,376 2.545,377 3.785,378 2.769,379 5.567,380 3.522,381 2.568,382 3.151,383 0.247,384 7.632,385 2.445,386 3.694,387 2.548,388 5.419,389 3.353,390 2.39,391 2.794,393 6.926,394 2.3,395 3.402,396 2.412,397 5.323,398 3.07,399 2.125,400 2.653,402 6.759,403 2,404 3.267,405 2.283,406 4.879,407 2.941,408 1.951,409 2.36,411 5.638,412 1.919,413 2.966,414 2.093,415 4.706,416 2.839,417 1.879,418 2.173,420 5.114,421 1.794,422 2.879,423 1.859,424 4.667,425 2.462,426 1.523,427 1.974,428 4.577,429 1.425,430 2.843,431 1.568,432 4.395,433 2.449,434 1.5,435 1.879,436 4.222,437 1.42,438 2.696,439 1.535,440 4.111,441 2.339,442 1.382,443 1.724,445 3.245,446 1.321,447 2.576,448 1.519,449 3.802,450 2.296,451 1.364,452 1.602,454 2.989,455 1.257,456 2.5,457 1.478,458 3.79,459 2.055,460 1.103,461 1.5,463 2.868,464 1.047,465 20.033,466 0.466,467 0.996,468 0.023,469 53.75,470 1.25,471 23,472 0.535,473 30.75,474 0.715,475 44.42,476 1.033,477 46.567,478 0.605,479 43.982,480 1.023,481 9.909,482 0.23,483 11.197,484 0.26,485 0.017,486 0.025,487 0.314,493 0.829,494 1.438,495 0.737,496 1.18,497 0.644,498 0.976,499 1.03,500 1.196,501 0.903,502 1.085,503 0.685,504 0.993,505 1.371,506 1.101,507 1.087,508 0.952,509 1.014,510 0.975,511 0.987,512 0.989,513 1.024,514 0.941,515 0.855,516 0.969,517 0.803,518 1.02,519 0.889,520 0.914,521 1.151,522 0.91,523 0.924,524 1.009,525 0.955,526 0.901,527 1.011,528 0.908,529 0.882,530 1.165,531 1.045,532 1.077,533 0.736,534 1.072,535 0.722,536 0.948,537 1.085,538 1.102,539 0.649,540 1.141,541 9,542 0.319,543 4.222,544 2.326,545 1.992,546 1.709,547 1.1,548 0.573,549 0.506,550 0.471,551 36395,552 88366,553 2.261,554 44.2,556 17,558 3,559 2,561 8,562 4,564 1.82,565 2.196,566 3.831,567 0.16,573 123.989,574 1.61,575 3.801,576 4.89,577 5.374,578 5.436,579 5.436,580 3.344,581 4.775,582 5.389,583 4.071,584 3676.19,585 9.561,586 66861.3,591 482.543,592 1.177,593 5.386,594 0.18,595 0.006,596 0.058,597 0.033,598 0.03,599 0.025,600 0.015,601 0.008,602 0.008,603 0.008,604 0.371,605 0.17,606 0.63,607 0.252,608 247.642,609 -0.019,610 -0.208,611 0.088,612 -0.096,613 -0.004,614 -0.002,615 0.075,616 -0.072,617 0.019,618 -0.071,619 0.105,620 -0.045,621 -0.193,622 -0.091,623 -0.091,624 0.018,625 -0.083,626 -0.02,627 -0.087,628 0.04,629 -0.042,630 0.012,631 0.006,632 -0.002,633 0.044,634 -0.004,635 0.082,636 0.067,637 0.011,638 0.079,639 -0.058,640 0.076,641 -0.002,642 0.062,643 -0.058,644 0.051,645 -0.01,646 -0.038,647 -0.125,648 -0.09,649 -0.029,650 -0.118,651 -0.002,652 0.104,653 -0.158,654 -0.086,655 0.009,656 -0.137,657 2.005,658 5.486,659 0.907,660 63.192,661 1.008,662 1.133,663 3.363,664 11.31,665 0.659,666 3.932,667 4.304,668 4.625,669 4.949,670 5.204,671 5.394,672 5.631,673 5.849,674 6.068,675 6.288,676 8.962,677 0.635,678 582.73,679 3.932,680 5.509,681 6.389,682 7.294,683 8.187,684 9.097,685 9.999,686 10.913,687 11.821,688 12.739,689 10.4,695 1,696 2,697 1,699 4,703 2,704 9,705 4,709 5,710 1,711 22,726 1,731 77,733 23,734 1,735 50,737 84,738 31,739 16,740 2,741 4,746 8,747 10,751 1,755 10,758 10,761 17,762 14,766 1,771 1,775 1,781 34,782 11,783 2,784 12,790 8,794 0.625,795 4,801 1,803 1,805 1,806 1,811 3,812 5,813 1,815 1,839 3,840 5,848 43,854 10,855 2,856 3,858 3,859 1,860 1,870 5.2,873 1,874 3,877 19.583,878 13.617,879 9.083,880 4.925,881 3.885,882 1.409,883 1.022,884 7.085,885 13.395,886 4.143,887 4.73,888 5.305,889 5.913,890 6.457,891 6.853,892 7.371,893 7.86,894 8.255,895 8.707,896 1,897 71,898 16.006,900 7.137,901 7.595,902 31.188,904 27.296,905 2.095,906 90.083,910 376.675,911 134.522,912 107.942,914 58.145,917 134.522,918 434.82,919 107.942,921 64.625,922 56.857,923 162.193,924 45.643,925 6.604,926 341.362,928 376.675,929 242.464,930 58.145,933 237.75,934 166.398,935 33,937 95.259,938 77.858,939 67.02,941 376.675,942 166.087,943 134.522,946 376.675,947 50.522,948 88.901,949 36.022,950 125.164,951 376.675,952 166.087,953 134.522,955 0.59,956 0.346,957 0.192,958 0.101,959 40,960 15,961 0.06,962 5,963 3,964 1.154,965 5.338,966 478.496,967 0.154,968 39,969 215.329,974 27.12,975 11.234,976 5.41,977 1.801,978 164.31,979 16.333,980 19.104,984 3.674,985 2.083,986 36.022,987 677.284,988 62,993 12.486,997 -0.339,999 77.61,1000 87.222,1001 0.257,1002 0.607,1003 0.78,1004 0.858,1005 0.867,1006 0.867,1007 5.427,1008 2.125,1009 6.392,1010 6.926,1011 4.99,1012 5.418,1013 2.54,1014 7.251,1015 4.901,1016 6.619,1017 1.951,1018 7.975,1019 6.759,1020 4.635,1021 5.207,1022 1.305,1023 8.368,1024 4.527,1025 7.933,1026 1.879,1027 9.662,1028 5.638,1029 6.658,1030 7.571,1031 3.016,1032 11.437,1033 6.491,1034 9.281,1035 1.523,1036 11.415,1037 5.114,1038 7.155,1039 8.224,1040 2.354,1041 13.422,1042 6.97,1043 10.663,1044 1.5,1045 13.213,1046 4.577,1047 8.634,1048 10.073,1049 3.72,1050 16.057,1051 8.402,1052 12.069,1053 1.382,1054 15.044,1055 4.222,1056 9.509,1057 11.146,1058 3.414,1059 18.369,1060 9.258,1061 13.493,1062 1.364,1063 16.899,1064 3.245,1065 10.788,1066 12.791,1067 4.529,1068 20.896,1069 10.501,1070 3.375,1071 1.103,1072 18.772,1073 2.989,1074 11.834,1075 14.086,1076 4.466,1077 23.33,1078 11.528,1079 3.279,1080 12.672,1081 20.66,1082 2.868,1083 13.043,1084 15.649,1085 5.398,1086 25.837,1087 12.708,1088 2.914,1089 11.626,1090 22.56,1091 4.638,1092 14.165,1093 17.06,1094 5.504,1095 28.318,1096 13.812,1097 2.824,1098 9.688,1099 24.469,1100 3.797,1101 15.354,1102 18.594,1103 6.306,1104 30.826,1105 14.978,1106 2.662,1107 8.983,1108 26.387,1109 3.48,1110 16.513,1111 20.063,1112 6.531,1113 33.328,1114 16.118,1115 2.568,1116 8.077,1117 28.311,1118 3.404,1119 17.698,1120 21.589,1121 7.242,1122 35.84,1123 17.284,1124 2.39,1125 7.632,1126 30.241,1127 3.32,1128 18.875,1129 23.09,1130 7.551,1131 38.353,1132 18.444,1133 32229,1134 50418,1135 35.076,1136 50.762,1137 76.381,1138 77.712,1139 76.987,1140 75.836,1141 75.956,1142 93.406,1143 10.973,1144 226.47,1145 72.524,1146 5.695,1147 5.84,1148 7.011,1149 5.467,1150 5.375,1151 7.638,1152 3.048,1153 20.243,1154 5.329,1155 9.215,1156 1.528,1157 1.554,1158 1.54,1159 1.517,1160 1.519,1161 1.868,1162 0.219,1163 4.529,1164 1.45,1165 4.151,1166 4.2,1167 4.123,1168 3.994,1169 7.431,1170 4.018,1171 3.921,1172 3.962,1173 3.863,1174 3.816,1175 5.137,1176 3.82,1177 3.906,1178 3.948,1179 3.813,1180 3.745,1181 4.909,1182 3.755,1183 3.876,1184 3.914,1185 3.801,1186 3.744,1187 4.839,1188 3.751,1189 3.822,1190 3.858,1191 3.75,1192 3.676,1193 4.75,1194 3.687,1195 3.525,1196 3.575,1197 3.427,1198 3.306,1199 4.67,1200 3.322,1201 3.418,1202 3.466,1203 3.349,1204 3.156,1205 4.481,1206 3.202,1207 3.268,1208 3.351,1209 3.164,1210 3.027,1211 4.068,1212 3.049,1213 0.094,1214 0.077,1215 0.144,1216 0.087,1217 0.067,1218 4.695,1219 0.093,1220 3.84,1221 0.033,1222 7.209,1223 0.253,1224 4.36,1225 0.067,1226 3.375,1227 4.638,1228 1.656,1229 12.672,1230 3.329,1231 1.957,1232 1.925,1233 2.062,1234 2.1,1235 1.457,1236 2.083,1237 1.866,1238 1.823,1239 2.018,1240 2.019,1241 1.255,1242 2.021,1243 1.821,1244 1.78,1245 1.934,1246 1.981,1247 1.22,1248 1.968,1249 1.771,1250 1.732,1251 1.896,1252 1.928,1253 1.106,1254 1.925,1255 1.604,1256 1.543,1257 1.86,1258 1.77,1259 0.958,1260 1.798,1261 1.566,1262 1.523,1263 1.699,1264 1.76,1265 0.945,1266 1.75,1267 1.399,1268 1.34,1269 1.691,1270 1.658,1271 0.894,1272 1.669,1273 1.307,1274 1.247,1275 1.513,1276 1.599,1277 0.825,1278 1.554,1279 4.615,1281 5.974,1282 3.434,1283 7.521,1284 5.778,1285 9.154,1286 7.847,1287 10.833,1295 8.63,1296 5.656,1297 18.072,1299 0.662,1300 2.347,1301 -0.428,1305 48.879,1306 123.989,1307 292.687,1308 376.503,1309 413.788,1310 418.543,1311 418.543,1312 67.318,1313 9.51,1314 128.55,1315 128.55,1316 45,1317 13.251,1318 4.585,1319 3.7,1320 53.744,1321 223,1322 281,1323 0.112,1324 287.124,1325 496.5,1326 692.342,1327 207843,1329 28.805,1330 0.67,1331 0.554,1332 28.805,1333 23.816,1334 21.106,1335 0.422,1336 0.303,1337 14.868,1338 20.098,1339 14.699,1340 11.936,1341 21.106,1342 15.129,1343 19.647,1344 0.269,1345 0.162,1346 19.647,1347 11.797,1348 17.275,1349 0.171,1350 0.089,1351 17.275,1352 8.973,1353 15.261,1354 0.109,1355 0.049,1356 15.261,1357 6.841,1358 12.334,1359 0.068,1360 0.027,1361 12.334,1362 4.837,1363 0.177,1364 133.437,1365 0.169,1366 38.148,1367 0.303,1368 246,1369 691.479,1370 277.876,1371 651.508,1372 914.45,1373 618,1374 297,1375 699.237,1376 329.993,1377 692.272,1378 1032.98,1379 657,1380 6.569}
{0 CHEMBL600447,1 1.664,2 11.556,3 3.162,4 9.998,5 105.398,6 8.096,7 0.533,8 3.962,9 4.072,10 3.648,11 3.555,12 5.056,13 3.518,14 4.486,15 4.642,16 3.997,17 3.933,18 5.596,19 3.869,20 4.671,21 4.875,22 4.015,23 3.993,24 5.698,25 3.921,26 4.633,27 4.837,28 3.983,29 3.976,30 5.721,31 3.901,32 4.641,33 4.835,34 3.965,35 4.006,36 5.73,37 3.914,38 4.6,39 4.769,40 3.925,41 4.032,42 5.603,43 3.91,44 4.632,45 4.85,46 3.705,47 3.92,48 5.564,49 3.769,50 4.522,51 4.787,52 3.431,53 3.655,54 5.458,55 3.484,56 0.035,57 0.709,58 9.076,59 4.322,60 5.65,61 5.194,62 0.3,63 1.146,64 18.918,65 7.606,66 26.451,67 9.131,68 0.295,69 1.35,70 25.197,71 8.569,72 31.392,73 10.968,74 0.237,75 1.308,76 22.309,77 8.169,78 34.676,79 10.425,80 0.376,81 1.304,82 25.707,83 8.868,84 44.079,85 10.482,86 0.219,87 1.261,88 24.405,89 9.791,90 22.644,91 11.565,92 0.197,93 1.228,94 24.148,95 9.681,96 25.611,97 12.476,98 0.325,99 1.039,100 24.432,101 8.92,102 40.302,103 11.859,104 9,105 41,106 0.282,107 0.676,108 0.838,109 0.866,110 0.866,111 0.866,112 3.34,113 0.98,114 -3.52,115 -3.5,116 -3.34,119 42.6,120 1,121 1,125 3,135 1,136 1,142 5,143 1,144 1,146 2,149 1,151 1,152 1,159 1,172 6,174 1,175 6,178 2,179 1,180 3,183 6,187 9,192 2,195 3,199 9,204 4,207 5,211 1,212 4,217 2,220 9,224 2,227 2,229 1,232 12,236 1,237 2,245 8,249 2,250 2,253 2,255 2,258 1,263 2,268 3,275 1158,276 18.731,277 18.731,278 18.731,279 18.731,280 18.731,281 16.565,282 15.98,283 11.336,284 19.319,285 14.829,286 14.829,287 14.829,288 14.829,289 14.829,290 11.442,291 17.902,292 5.348,293 15.703,294 3.891,295 1.56,296 0.604,297 0.442,298 0.442,299 0.442,300 4.041,303 1,304 1,305 1,306 681,307 3.082,310 64.042,311 229.804,314 112.124,318 1.827,319 21.704,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 58,331 312,332 4.624,333 3.545,334 6.731,335 4.141,336 3.193,337 4.553,338 1.656,339 11.011,340 3.028,341 4.159,342 3.241,343 6.107,344 3.763,345 2.785,346 3.775,347 1.151,348 8.933,349 2.722,350 3.913,351 2.839,352 5.766,353 3.511,354 2.544,355 3.336,356 0.247,357 7.811,358 2.45,359 3.823,360 2.686,361 5.47,362 3.439,363 2.482,364 3.193,366 7.338,367 2.367,368 3.469,369 2.396,370 4.821,371 3.056,372 2.079,373 2.706,375 5.493,376 2.02,377 3.131,378 2.234,379 4.679,380 2.714,381 1.79,382 2.326,384 4.788,385 1.648,386 2.961,387 1.568,388 4.415,389 2.413,390 1.496,391 2.163,393 4.26,394 1.363,395 2.547,396 1.536,397 3.715,398 2.123,399 1.237,400 1.569,402 2.925,403 1.08,404 2.5,405 1.51,406 3.454,407 2,408 1.065,409 1.5,411 2.394,412 1,413 2.446,414 1.458,415 3.414,416 1.991,417 1,418 1.417,420 2.275,421 0.98,422 2.126,423 1.063,424 3.339,425 1.969,426 1,427 1.077,428 2.136,429 0.963,430 2.107,431 1,432 3.247,433 1.926,434 1,435 1.045,436 1.705,437 0.901,438 1.96,439 0.648,440 3.106,441 1.436,442 0.548,443 0.769,445 1.474,446 0.477,447 1.314,448 0.508,449 2.709,450 0.948,451 -0.016,452 -0.019,454 -0.036,455 -0.015,456 0.951,457 -0.022,458 2.585,459 0.507,460 -0.419,461 -0.515,463 -0.875,464 -0.384,465 13.1,466 0.485,467 0.516,468 0.019,469 35.25,470 1.306,471 17.5,472 0.648,473 17.75,474 0.657,475 21.65,476 0.802,477 28.3,478 0.602,479 24.9,480 0.922,481 6.811,482 0.252,483 6.431,484 0.238,485 0.064,487 0.305,493 0.82,494 1.206,495 0.727,496 0.931,497 0.635,498 0.878,499 0.923,500 1,501 0.895,502 0.911,503 0.616,504 0.9,505 1.093,506 1.091,507 0.871,508 0.889,509 0.993,510 0.865,511 1.037,512 1.032,513 0.821,514 0.814,515 1.105,516 0.871,517 1.268,518 0.832,519 1.175,520 0.89,521 1.532,522 0.88,523 0.745,524 1.082,525 1.293,526 1.344,527 0.841,528 1.247,529 0.63,530 1.13,531 1.064,532 1.22,533 0.532,534 1.26,535 0.522,536 0.906,537 0.883,538 1.017,539 0.456,540 1.035,541 4.5,542 0.137,543 2.667,544 1.313,545 1.208,546 0.948,547 0.461,548 0.246,549 0.194,550 0.143,551 9077,552 25042,553 2.142,554 42.6,556 12,557 1,559 2,561 5,564 1.7,565 2.051,566 3.449,567 0.267,568 1,569 1,573 78.189,574 1.664,575 3.995,576 4.951,577 5.113,578 5.113,579 5.113,580 2.93,581 4.208,582 4.719,583 3.615,584 1269,585 8.196,586 16251.7,588 1,590 1,591 261.066,592 1.218,593 4.706,594 0.15,595 0.008,596 0.065,597 0.032,598 0.03,599 0.024,600 0.013,601 0.009,602 0.009,603 0.008,604 0.348,605 0.33,606 1,607 1.159,608 134.075,609 -0.059,610 -0.094,611 0.063,612 0.017,613 -0.06,614 0.029,615 0.1,616 0.062,617 0.028,618 0.065,619 0.105,620 0.027,621 -0.115,622 -0.067,623 0.061,624 0.053,625 -0.068,626 0.083,627 -0.131,628 0.013,629 0.047,630 0.086,631 -0.031,632 0.061,633 -0.2,634 0.231,635 -0.125,636 0.13,637 -0.185,638 0.065,639 -0.012,640 -0.053,641 -0.231,642 -0.241,643 -0.103,644 -0.249,645 0.05,646 -0.183,647 -0.136,648 -0.232,649 -0.022,650 -0.248,651 0.279,652 -0.031,653 0.094,654 -0.038,655 0.24,656 0.012,657 1.88,658 4.642,659 0.778,660 27.07,661 1.004,662 1.12,663 2.292,664 5.251,665 0.695,666 3.434,667 3.738,668 4.025,669 4.317,670 4.554,671 4.682,672 4.875,673 5.011,674 5.069,675 5.165,676 6.576,677 0.658,678 380.51,679 3.434,680 4.963,681 5.814,682 6.691,683 7.564,684 8.451,685 9.335,686 10.228,687 11.119,688 12.016,689 8.5,696 2,699 2,703 2,704 6,705 2,708 1,709 4,711 16,731 47,733 18,734 1,735 30,737 50,738 20,739 12,740 2,741 4,742 2,746 4,747 5,751 1,752 1,755 1,758 1,761 15,762 5,766 2,771 1,773 1,775 2,777 1,778 1,781 20,782 6,783 2,784 7,785 1,790 4,794 0.75,795 2,806 1,811 1,812 3,815 1,831 1,832 1,839 1,840 3,842 1,844 1,848 27,854 4,855 2,856 1,865 1,870 4.3,873 1,874 1,877 13.167,878 8.733,879 6.028,880 2.943,881 3.411,882 1.449,883 1.011,884 5.462,885 11.012,886 3.714,887 4.314,888 4.934,889 5.575,890 6.139,891 6.563,892 7.08,893 7.528,894 7.827,895 8.236,896 0.875,897 41,898 9.967,900 4.204,901 7.673,902 19.19,904 15.675,905 2.173,906 58.667,909 1,910 211.88,911 139.813,912 69.593,914 36.145,916 31.278,917 108.535,918 248.025,919 69.593,920 8.825,921 49.847,922 64.507,923 69.716,924 16.357,925 16.793,926 231.386,928 211.88,929 178.128,930 36.145,931 31.278,933 155.352,934 84,935 11,937 63.573,938 69.18,939 43.047,940 31.278,941 211.88,942 105.737,943 139.813,946 211.88,947 66.481,948 73.332,949 36.022,950 69.716,951 211.88,952 105.737,953 139.813,955 0.568,956 0.331,957 0.187,958 0.1,959 20,960 8,961 0.08,962 4,963 1,964 1.095,965 3.945,966 232.895,967 0.095,968 21,969 124.382,970 1,974 18.083,975 8.155,976 4.019,977 2.068,978 105.737,979 11.651,980 9.585,983 1.664,984 3.331,986 36.022,987 457.43,988 40,993 11.642,995 2.105,997 1.002,999 47.207,1000 52.654,1001 0.299,1002 0.719,1003 0.891,1004 0.92,1005 0.92,1006 0.92,1007 4.934,1008 1.237,1009 5.778,1010 4.26,1011 4.419,1012 5.001,1013 2.134,1014 6.578,1015 4.316,1016 6.133,1017 1.065,1018 7.321,1019 2.925,1020 3.892,1021 4.783,1022 1.195,1023 7.445,1024 3.786,1025 7.439,1026 1,1027 8.966,1028 2.394,1029 5.989,1030 7.23,1031 2.688,1032 10.572,1033 5.805,1034 8.785,1035 1,1036 10.676,1037 2.275,1038 6.33,1039 7.902,1040 2.324,1041 12.31,1042 6.127,1043 10.166,1044 1,1045 12.426,1046 2.136,1047 7.85,1048 9.787,1049 3.41,1050 14.938,1051 7.586,1052 11.571,1053 0.548,1054 14.207,1055 1.705,1056 8.6,1057 10.882,1058 3.407,1059 17.038,1060 8.298,1061 12.996,1062 -0.016,1063 16.008,1064 1.474,1065 9.883,1066 12.538,1067 4.248,1068 19.501,1069 9.528,1070 3.193,1071 -0.419,1072 17.825,1073 -0.036,1074 10.833,1075 13.844,1076 4.464,1077 21.761,1078 10.429,1079 2.785,1080 11.011,1081 19.655,1082 -0.875,1083 12.019,1084 15.406,1085 5.159,1086 24.17,1087 11.565,1088 2.544,1089 8.933,1090 21.496,1091 4.553,1092 13.068,1093 16.816,1094 5.504,1095 26.502,1096 12.559,1097 2.482,1098 7.811,1099 23.344,1100 3.775,1101 14.219,1102 18.342,1103 6.115,1104 28.895,1105 13.658,1106 2.079,1107 7.338,1108 25.2,1109 3.336,1110 15.316,1111 19.803,1112 6.531,1113 31.26,1114 14.699,1115 1.79,1116 5.493,1117 27.062,1118 3.193,1119 16.458,1120 21.316,1121 7.095,1122 33.651,1123 15.787,1124 1.496,1125 4.788,1126 28.929,1127 2.706,1128 17.581,1129 22.803,1130 7.551,1131 36.032,1132 16.853,1133 8675,1134 14530,1135 20.572,1136 32.671,1137 44.865,1138 45.856,1139 45.461,1140 44.351,1141 44.436,1142 58.858,1143 6.108,1144 125.085,1145 42.002,1146 5.545,1147 5.545,1148 6.533,1149 5.24,1150 5.193,1151 7.553,1152 2.912,1153 18.221,1154 5.028,1155 10.016,1156 1.496,1157 1.529,1158 1.515,1159 1.478,1160 1.481,1161 1.962,1162 0.204,1163 4.169,1164 1.4,1165 4.094,1166 4.115,1167 4.32,1168 4.068,1169 7.431,1170 4.031,1171 3.882,1172 3.911,1173 3.876,1174 3.829,1175 5.058,1176 3.815,1177 3.744,1178 3.776,1179 3.693,1180 3.634,1181 4.708,1182 3.622,1183 3.615,1184 3.686,1185 3.528,1186 3.38,1187 4.655,1188 3.394,1189 3.307,1190 3.364,1191 3.319,1192 3.143,1193 4.306,1194 3.143,1195 3.166,1196 3.217,1197 3.063,1198 2.934,1199 4.213,1200 2.955,1201 3.038,1202 3.128,1203 2.916,1204 2.87,1205 4.012,1206 2.849,1207 2.925,1208 2.965,1209 2.791,1210 2.74,1211 3.784,1212 2.746,1213 0.154,1214 0.118,1215 0.224,1216 0.138,1217 0.106,1218 4.624,1219 0.152,1220 3.545,1221 0.055,1222 6.731,1223 0.367,1224 4.141,1225 0.101,1226 3.193,1227 4.553,1228 1.656,1229 11.011,1230 3.028,1231 1.96,1232 1.935,1233 2.035,1234 2.067,1235 1.239,1236 2.059,1237 1.833,1238 1.808,1239 1.962,1240 1.958,1241 1.105,1242 1.96,1243 1.614,1244 1.576,1245 1.844,1246 1.833,1247 0.989,1248 1.831,1249 1.55,1250 1.473,1251 1.717,1252 1.754,1253 0.861,1254 1.753,1255 1.378,1256 1.372,1257 1.439,1258 1.466,1259 0.681,1260 1.495,1261 1.17,1262 1.119,1263 1.401,1264 1.42,1265 0.619,1266 1.433,1267 1.078,1268 0.993,1269 1.33,1270 1.295,1271 0.338,1272 1.347,1273 0.886,1274 0.836,1275 1.181,1276 1.074,1277 0.235,1278 1.107,1279 4.111,1281 5.416,1282 2.398,1283 6.923,1284 4.595,1285 8.524,1286 6.605,1287 10.178,1289 1.881,1295 2.793,1296 5.509,1297 5.436,1305 30.917,1306 78.189,1307 187.751,1308 232.701,1309 240.311,1310 240.311,1311 240.311,1312 36.754,1313 7.601,1314 76.14,1315 104.38,1316 23,1317 12.542,1318 4.248,1319 3.459,1320 40.268,1321 104,1322 131,1323 0.188,1324 192.998,1325 328.75,1326 462.674,1327 20283,1329 18.64,1330 0.69,1331 0.585,1332 18.993,1333 15.806,1334 13.242,1335 0.441,1336 0.327,1337 8.877,1338 12.291,1339 8.606,1340 7.118,1341 13.696,1342 9.8,1343 11.559,1344 0.282,1345 0.172,1346 12.115,1347 7.063,1348 9.779,1349 0.178,1350 0.095,1351 10.468,1352 5.22,1353 8.496,1354 0.115,1355 0.052,1356 9.28,1357 3.847,1358 6.69,1359 0.071,1360 0.027,1361 7.287,1362 2.493,1363 0.295,1364 87.247,1365 0.22,1366 25.976,1367 0.515,1368 142,1369 416.287,1370 177.479,1371 421.81,1372 582.23,1373 398,1374 167,1375 414.25,1376 199.912,1377 432.964,1378 638.97,1379 409,1380 5.978}
{0 CHEMBL600811,1 1.6,2 11.133,3 1.953,4 3.814,5 111.984,6 7.41,7 0.471,8 4.134,9 4.266,10 3.709,11 3.604,12 5.182,13 3.605,14 4.713,15 4.902,16 4.103,17 4.018,18 5.746,19 4.002,20 4.955,21 5.178,22 4.122,23 4.141,24 5.933,25 4.093,26 4.935,27 5.179,28 4.048,29 4.116,30 5.931,31 4.052,32 4.847,33 5.068,34 4.061,35 4.109,36 5.834,37 4.051,38 4.874,39 5.086,40 4.076,41 4.14,42 5.859,43 4.088,44 4.914,45 5.131,46 4.008,47 4.149,48 5.854,49 4.062,50 4.947,51 5.214,52 3.781,53 4.079,54 5.826,55 3.93,56 0.071,57 0.897,58 11.699,59 4.466,60 8.586,61 6.303,62 0.414,63 1.422,64 23.522,65 7.534,66 31.101,67 10.97,68 0.534,69 1.657,70 32.009,71 9.27,72 45.422,73 14.005,74 0.55,75 1.642,76 31.465,77 8.965,78 51.867,79 13.83,80 0.326,81 1.549,82 27.726,83 9.062,84 37.261,85 13.667,86 0.42,87 1.627,88 28.176,89 8.487,90 38.285,91 12.79,92 0.448,93 1.625,94 29.436,95 9.552,96 34.58,97 14.405,98 0.495,99 1.497,100 32.567,101 11.268,102 53.111,103 16.783,104 16,105 49,106 0.263,107 0.629,108 0.791,109 0.82,110 0.82,111 0.82,112 3.441,113 0.915,114 -4.28,115 -4.22,116 -3.98,119 38.2,120 1,121 2,124 1,125 3,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 10,178 2,179 1,180 2,183 4,186 2,187 7,192 2,195 2,198 5,199 9,204 3,207 2,211 1,212 10,217 2,220 4,224 9,227 2,229 1,232 3,236 3,237 9,245 4,249 2,250 2,253 4,255 1,258 6,263 3,266 1,271 6,275 1492,276 20.737,277 20.737,278 20.737,279 20.737,280 20.737,281 18.824,282 25.915,283 11.954,284 21.301,285 16.695,286 16.695,287 16.695,288 16.695,289 16.695,290 13.58,291 32.439,292 5.582,293 17.572,294 4.182,295 1.953,296 0.964,297 0.791,298 0.791,299 0.791,300 4.151,304 1,305 1,306 744,307 3.317,310 133.136,311 238.719,312 87.175,314 119.92,318 1.733,319 26.047,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.5,331 334,332 4.675,333 3.54,334 6.845,335 4.211,336 3.264,337 4.627,338 1.656,339 11.414,340 3.093,341 4.17,342 3.399,343 6.152,344 3.816,345 2.882,346 3.791,347 0.86,348 9.109,349 2.737,350 3.986,351 3.148,352 6.11,353 3.762,354 2.791,355 3.319,356 0.8,357 8.943,358 2.658,359 3.831,360 2.794,361 5.65,362 3.49,363 2.532,364 3.161,365 0.247,366 7.724,367 2.421,368 3.649,369 2.72,370 5.465,371 3.376,372 2.445,373 2.768,375 7.313,376 2.269,377 3.45,378 2.412,379 5.009,380 3.033,381 2.049,382 2.684,384 5.638,385 2.003,386 2.979,387 2.093,388 4.879,389 2.839,390 1.879,391 2.167,393 5.447,394 1.794,395 2.952,396 1.961,397 4.781,398 2.706,399 1.759,400 2.057,402 5.323,403 1.661,404 2.879,405 1.535,406 4.422,407 2.44,408 1.488,409 1.879,411 4.265,412 1.412,413 2.626,414 1.326,415 4.28,416 2.171,417 1.239,418 1.669,420 3.586,421 1.153,422 2.5,423 1.1,424 3.665,425 2,426 1,427 1.5,428 2.275,429 1,430 2.222,431 1,432 3.414,433 1.832,434 0.89,435 1.145,436 2.222,437 0.836,438 1.698,439 0.965,440 3.27,441 1.605,442 0.681,443 0.691,445 1.658,446 0.623,447 1.541,448 0.941,449 2.928,450 1.345,451 0.412,452 0.444,454 0.656,455 0.382,456 1.496,457 0.498,458 2.823,459 1.271,460 0.306,461 0.353,463 0.478,464 0.295,465 13.967,466 0.466,467 0.704,468 0.023,469 37.75,470 1.258,471 16.5,472 0.55,473 21.25,474 0.708,475 26.592,476 0.886,477 32.833,478 0.597,479 28.596,480 0.953,481 7.174,482 0.239,483 7.466,484 0.249,485 0.095,487 0.379,493 0.82,494 1.529,495 0.768,496 1.209,497 0.624,498 1.009,499 0.94,500 1.097,501 0.847,502 0.97,503 0.589,504 0.901,505 1.266,506 1.152,507 0.986,508 0.938,509 0.933,510 0.925,511 1.019,512 0.901,513 1.024,514 0.876,515 1.083,516 0.925,517 0.831,518 1.182,519 0.873,520 1.029,521 0.918,522 0.964,523 1.12,524 1.059,525 1.121,526 1.006,527 0.941,528 1.036,529 0.847,530 1.198,531 1.159,532 1.227,533 0.615,534 1.235,535 0.524,536 0.868,537 1.007,538 1.133,539 0.496,540 1.151,541 6.5,542 0.208,543 3.111,544 1.729,545 1.453,546 1.261,547 0.624,548 0.439,549 0.357,550 0.188,551 11814,552 29692,553 2.165,554 45.5,556 15,558 1,559 2,561 7,564 1.732,565 2.045,566 3.393,567 0.276,568 1,569 1,573 87.988,574 1.6,575 3.828,576 4.817,577 4.99,578 4.99,579 4.99,580 2.886,581 4.507,582 4.872,583 3.594,584 1563.54,585 8.524,586 21191.1,588 1,590 1,591 317.975,592 1.347,593 4.848,594 0.191,595 0.011,596 0.063,597 0.035,598 0.032,599 0.027,600 0.013,601 0.01,602 0.011,603 0.007,604 0.402,605 0.17,606 0.88,607 1.083,608 152.598,609 -0.01,610 -0.256,611 0.08,612 -0.112,613 -0.024,614 -0.019,615 0.1,616 0.047,617 0.088,618 0.035,619 0.125,620 0.053,621 -0.139,622 -0.124,623 -0.006,624 0.04,625 -0.019,626 0.033,627 -0.086,628 0.16,629 -0.055,630 0.07,631 -0.071,632 0.024,633 -0.019,634 -0.122,635 0.059,636 -0.001,637 -0.03,638 0.037,639 -0.2,640 0.072,641 -0.188,642 -0.025,643 -0.151,644 -0.085,645 -0.019,646 -0.114,647 -0.234,648 -0.214,649 -0.065,650 -0.251,651 0.166,652 0.075,653 -0.051,654 -0.109,655 0.124,656 -0.117,657 1.92,658 4.529,659 0.767,660 30.431,661 1.006,662 1.139,663 3.048,664 9.288,665 0.651,666 3.555,667 3.912,668 4.234,669 4.554,670 4.82,671 5.017,672 5.226,673 5.407,674 5.565,675 5.707,676 6.573,677 0.624,678 407.53,679 3.555,680 5.118,681 5.994,682 6.895,683 7.789,684 8.698,685 9.602,686 10.515,687 11.425,688 12.341,689 12.7,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 55,733 17,734 1,735 34,737 59,738 21,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 4,758 4,761 12,762 9,766 1,771 1,775 1,778 1,781 25,782 8,783 2,784 9,790 7,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,844 2,848 30,854 5,855 2,856 1,858 2,859 1,870 3.6,873 1,874 1,877 14.667,878 10.417,879 6.556,880 3.54,881 3.146,882 1.384,883 1.01,884 5.15,885 11.344,886 3.784,887 4.391,888 5.008,889 5.639,890 6.209,891 6.653,892 7.164,893 7.634,894 7.981,895 8.378,896 1,897 49,898 11.105,900 4.8,901 7.644,902 21.51,904 18.179,905 2.144,906 64.333,910 270.735,911 94.722,912 91.156,914 36.145,917 94.722,918 306.88,919 91.156,920 17.222,921 47.408,922 37.905,923 99.865,924 24.792,925 6.604,926 258.964,928 270.735,929 185.879,930 36.145,933 190.666,934 107.543,935 11,937 68.772,938 64.545,939 50.234,941 270.735,942 127.301,943 94.722,946 270.735,947 30.548,948 69.075,949 36.022,950 86.379,951 270.735,952 127.301,953 94.722,955 0.584,956 0.349,957 0.19,958 0.104,959 26,960 11,961 0.068,962 4,963 3,964 1.217,965 4.127,966 285.564,967 0.261,968 22,969 137.207,974 19.432,975 7.95,976 3.703,977 1.809,978 125.525,979 9.414,980 14.292,984 3.17,985 1.903,986 36.022,987 492.759,988 43,993 11.529,997 -0.253,999 55.32,1000 62.644,1001 0.277,1002 0.662,1003 0.833,1004 0.863,1005 0.863,1006 0.863,1007 5.05,1008 1.759,1009 5.989,1010 5.447,1011 4.595,1012 5.078,1013 2.109,1014 6.83,1015 4.494,1016 6.25,1017 1.488,1018 7.562,1019 5.323,1020 4.205,1021 4.934,1022 1.305,1023 7.751,1024 4.054,1025 7.564,1026 1.239,1027 9.228,1028 4.265,1029 6.221,1030 7.289,1031 2.545,1032 10.868,1033 6.015,1034 8.913,1035 1,1036 10.951,1037 3.586,1038 6.648,1039 8.011,1040 2.354,1041 12.619,1042 6.387,1043 10.295,1044 0.89,1045 12.709,1046 2.275,1047 8.121,1048 9.853,1049 3.285,1050 15.258,1051 7.81,1052 11.701,1053 0.681,1054 14.494,1055 2.222,1056 8.925,1057 10.99,1058 3.414,1059 17.375,1060 8.557,1061 13.127,1062 0.412,1063 16.299,1064 1.658,1065 10.188,1066 12.633,1067 4.168,1068 19.856,1069 9.771,1070 3.264,1071 0.306,1072 18.119,1073 0.656,1074 11.173,1075 13.973,1076 4.466,1077 22.139,1078 10.699,1079 2.882,1080 11.414,1081 19.952,1082 0.478,1083 12.356,1084 15.538,1085 5.115,1086 24.572,1087 11.832,1088 2.791,1089 9.109,1090 21.796,1091 4.627,1092 13.429,1093 16.977,1094 5.504,1095 26.931,1096 12.848,1097 2.532,1098 8.943,1099 23.65,1100 3.791,1101 14.585,1102 18.514,1103 6.092,1104 29.352,1105 13.954,1106 2.445,1107 7.724,1108 25.512,1109 3.319,1110 15.701,1111 19.999,1112 6.531,1113 31.747,1114 15.014,1115 2.049,1116 7.313,1117 27.381,1118 3.161,1119 16.854,1120 21.527,1121 7.084,1122 34.169,1123 16.114,1124 1.879,1125 5.638,1126 29.256,1127 2.768,1128 17.992,1129 23.034,1130 7.551,1131 36.582,1132 17.197,1133 11067,1134 17672,1135 23.175,1136 35.802,1137 51.41,1138 52.647,1139 53.036,1140 51.209,1141 51.233,1142 64.513,1143 7.126,1144 152.104,1145 48.672,1146 5.675,1147 5.54,1148 6.396,1149 5.318,1150 5.264,1151 7.627,1152 2.912,1153 18.848,1154 5.093,1155 12.962,1156 1.512,1157 1.548,1158 1.56,1159 1.506,1160 1.507,1161 1.897,1162 0.21,1163 4.474,1164 1.432,1165 4.131,1166 4.181,1167 4.107,1168 3.974,1169 7.431,1170 4,1171 3.902,1172 3.941,1173 3.839,1174 3.8,1175 5.136,1176 3.805,1177 3.883,1178 3.927,1179 3.793,1180 3.717,1181 4.754,1182 3.728,1183 3.561,1184 3.631,1185 3.483,1186 3.295,1187 4.67,1188 3.321,1189 3.457,1190 3.536,1191 3.333,1192 3.233,1193 4.488,1194 3.249,1195 3.207,1196 3.3,1197 3.061,1198 2.994,1199 4.205,1200 3.002,1201 3.167,1202 3.247,1203 3.022,1204 2.968,1205 4.035,1206 2.973,1207 3.093,1208 3.176,1209 2.89,1210 2.951,1211 3.915,1212 2.926,1213 0.137,1214 0.104,1215 0.201,1216 0.124,1217 0.096,1218 4.675,1219 0.136,1220 3.54,1221 0.049,1222 6.845,1223 0.336,1224 4.211,1225 0.091,1226 3.264,1227 4.627,1228 1.656,1229 11.414,1230 3.093,1231 1.951,1232 1.92,1233 2.028,1234 2.085,1235 1.255,1236 2.064,1237 1.794,1238 1.756,1239 1.908,1240 1.953,1241 1.224,1242 1.944,1243 1.62,1244 1.557,1245 1.86,1246 1.876,1247 1.111,1248 1.864,1249 1.604,1250 1.543,1251 1.85,1252 1.761,1253 1.043,1254 1.798,1255 1.511,1256 1.445,1257 1.706,1258 1.76,1259 0.835,1260 1.745,1261 1.423,1262 1.349,1263 1.672,1264 1.691,1265 0.688,1266 1.688,1267 1.135,1268 1.063,1269 1.32,1270 1.399,1271 0.496,1272 1.393,1273 1.005,1274 0.916,1275 1.235,1276 1.312,1277 0.332,1278 1.305,1279 4.234,1281 5.58,1282 3.045,1283 7.117,1284 5.416,1285 8.743,1286 7.506,1287 10.419,1289 3.644,1295 4.637,1296 5.312,1297 6.011,1299 0.544,1300 2.322,1305 34.321,1306 87.988,1307 210.552,1308 264.955,1309 274.465,1310 274.465,1311 274.465,1312 42.686,1313 8.197,1314 97.2,1315 97.2,1316 28,1317 12.854,1318 4.17,1319 3.322,1320 41.465,1321 116,1322 146,1323 0.174,1324 207.376,1325 350.82,1326 497.757,1327 40883,1329 20.665,1330 0.689,1331 0.571,1332 20.665,1333 17.13,1334 14.64,1335 0.431,1336 0.305,1337 10.188,1338 13.921,1339 9.978,1340 8.219,1341 14.64,1342 10.374,1343 13.275,1344 0.271,1345 0.157,1346 13.275,1347 7.712,1348 11.769,1349 0.173,1350 0.085,1351 11.769,1352 5.747,1353 10.027,1354 0.107,1355 0.045,1356 10.027,1357 4.226,1358 8.231,1359 0.067,1360 0.024,1361 8.231,1362 2.938,1363 0.27,1364 92.618,1365 0.208,1366 28.03,1367 0.49,1368 166,1369 472.362,1370 186.853,1371 450.984,1372 632.54,1373 426,1374 200,1375 486.018,1376 222.05,1377 483.969,1378 718.88,1379 458,1380 6.569}
{0 CHEMBL600825,1 1.591,2 13.692,3 2.302,4 5.301,5 143.888,6 7.212,7 0.356,8 4.432,9 4.556,10 3.989,11 3.899,12 5.41,13 3.898,14 5.06,15 5.234,16 4.416,17 4.341,18 6.043,19 4.322,20 5.352,21 5.578,22 4.419,23 4.483,24 6.242,25 4.425,26 5.336,27 5.579,28 4.364,29 4.48,30 6.248,31 4.401,32 5.289,33 5.534,34 4.356,35 4.469,36 6.203,37 4.387,38 5.238,39 5.467,40 4.399,41 4.462,42 6.16,43 4.4,44 5.229,45 5.436,46 4.432,47 4.481,48 6.184,49 4.423,50 5.31,51 5.545,52 4.318,53 4.525,54 6.194,55 4.418,56 0.079,57 1.16,58 16.595,59 6.598,60 10.385,61 9.085,62 0.608,63 1.909,64 34.41,65 11.443,66 42.683,67 16.162,68 0.879,69 2.309,70 49.415,71 14.145,72 64.317,73 21.121,74 0.797,75 2.345,76 48.184,77 14.026,78 66.356,79 21.501,80 0.699,81 2.252,82 45.661,83 14.027,84 64.844,85 21.653,86 0.628,87 2.246,88 42.382,89 12.834,90 54.923,91 19.817,92 0.642,93 2.259,94 41.097,95 12.897,96 48.886,97 19.621,98 0.659,99 2.308,100 45.627,101 15.727,102 64.037,103 23.117,104 9,105 66,106 0.246,107 0.568,108 0.752,109 0.811,110 0.811,111 0.811,112 3.694,113 0.945,114 -4.69,115 -4.6,116 -4.33,119 37.8,120 1,121 6,125 5,127 3,131 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 4,175 15,178 2,179 1,180 3,183 6,186 2,187 14,192 2,195 4,198 5,199 13,204 4,207 3,211 3,212 12,217 2,220 6,223 2,224 11,227 2,229 1,232 6,236 5,237 15,245 10,249 2,250 2,253 4,255 1,258 13,262 4,263 6,266 1,271 12,275 3211,276 27.057,277 27.057,278 27.057,279 27.057,280 27.057,281 25.169,282 35.047,283 15.681,284 27.711,285 22.214,286 22.214,287 22.214,288 22.214,289 22.214,290 19.172,291 44.216,292 7.392,293 23.297,294 4.619,295 2.53,296 1.342,297 0.956,298 0.956,299 0.956,300 4.42,306 1212,307 3.808,310 288.091,311 441.787,312 118.719,314 161.654,318 2.008,319 39.086,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 85.5,331 534,332 4.695,333 3.84,334 7.209,335 4.36,336 3.375,337 4.638,338 1.656,339 12.672,340 3.329,341 4.363,342 3.545,343 6.904,344 4.231,345 3.279,346 3.796,347 1.392,348 11.626,349 3.115,350 4.18,351 3.413,352 6.346,353 3.844,354 2.914,355 3.407,356 0.86,357 9.688,358 2.748,359 4.027,360 3.192,361 6.114,362 3.794,363 2.821,364 3.322,365 0.8,366 8.983,367 2.704,368 3.84,369 2.889,370 5.771,371 3.558,372 2.607,373 3.166,374 0.532,375 8.076,376 2.475,377 3.708,378 2.767,379 5.471,380 3.46,381 2.498,382 2.796,383 0.247,384 7.341,385 2.395,386 3.464,387 2.427,388 5.418,389 3.078,390 2.13,391 2.699,393 6.761,394 2.026,395 3.267,396 2.284,397 4.879,398 3.05,399 2.072,400 2.36,402 5.638,403 1.997,404 2.962,405 2.093,406 4.821,407 2.839,408 1.879,409 2.164,411 5.493,412 1.794,413 2.879,414 1.859,415 4.696,416 2.462,417 1.523,418 1.879,420 4.579,421 1.425,422 2.697,423 1.568,424 4.408,425 2.447,426 1.497,427 1.725,428 4.251,429 1.417,430 2.577,431 1.536,432 4.111,433 2.297,434 1.373,435 1.603,436 3.245,437 1.258,438 2.5,439 1.51,440 3.802,441 2.063,442 1.112,443 1.5,445 2.87,446 1.054,447 2.387,448 1.478,449 3.79,450 2,451 1.011,452 1.38,454 2.372,455 1,456 2.124,457 1.135,458 3.665,459 2,460 1,461 1.079,463 2.275,464 1,465 18.133,466 0.465,467 0.928,468 0.024,469 44.25,470 1.135,471 16.5,472 0.423,473 27.75,474 0.712,475 43.04,476 1.104,477 43.667,478 0.59,479 35.564,480 0.912,481 7.955,482 0.204,483 11.133,484 0.285,485 0.046,486 0.028,487 0.32,493 0.829,494 1.506,495 0.782,496 1.254,497 0.656,498 1.042,499 1.016,500 1.196,501 0.901,502 1.09,503 0.663,504 0.994,505 1.374,506 1.093,507 1.052,508 0.911,509 1.015,510 0.929,511 1.03,512 0.987,513 1.046,514 0.932,515 0.992,516 0.971,517 0.812,518 1.056,519 0.909,520 0.922,521 1.158,522 0.923,523 0.834,524 1.062,525 0.955,526 0.951,527 0.824,528 0.95,529 0.822,530 1.218,531 1.04,532 1.122,533 0.623,534 1.103,535 0.698,536 0.957,537 1.057,538 1.102,539 0.628,540 1.128,541 8.5,542 0.328,543 4.222,544 2.139,545 1.841,546 1.591,547 0.999,548 0.616,549 0.495,550 0.408,551 25722,552 60038,553 2.226,554 47.3,556 17,558 1,559 2,561 11,562 4,564 1.799,565 2.137,566 3.662,567 0.187,573 117.717,574 1.591,575 3.679,576 4.868,577 5.253,578 5.253,579 5.253,580 3.202,581 4.619,582 5.247,583 3.881,584 2875.82,585 9.291,586 47711.1,591 459.5,592 1.31,593 5.236,594 0.189,595 0.007,596 0.064,597 0.033,598 0.03,599 0.026,600 0.015,601 0.009,602 0.009,603 0.008,604 0.389,605 0.17,606 0.63,607 0.897,608 216.343,609 -0.009,610 -0.215,611 0.092,612 -0.104,613 -0.014,614 -0.005,615 0.097,616 -0.049,617 0.057,618 -0.047,619 0.125,620 -0.013,621 -0.19,622 -0.076,623 -0.048,624 0.061,625 -0.078,626 0.03,627 -0.107,628 0.071,629 -0.068,630 0.028,631 -0.04,632 -0.007,633 -0.004,634 -0.014,635 0.051,636 0.073,637 -0.074,638 0.072,639 -0.032,640 0.056,641 -0.006,642 0.037,643 -0.049,644 0.028,645 0.02,646 -0.063,647 -0.103,648 -0.109,649 -0.006,650 -0.121,651 0.017,652 0.113,653 -0.125,654 -0.072,655 0.021,656 -0.113,657 1.89,658 4.944,659 0.846,660 51.333,661 1.005,662 1.137,663 3.456,664 11.941,665 0.642,666 3.829,667 4.205,668 4.533,669 4.86,670 5.118,671 5.338,672 5.58,673 5.802,674 6.026,675 6.238,676 7.956,677 0.613,678 533.7,679 3.829,680 5.407,681 6.29,682 7.2,683 8.098,684 9.014,685 9.922,686 10.842,687 11.756,688 12.679,689 9.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 74,733 17,734 1,735 45,737 80,738 28,739 11,740 2,741 4,746 7,747 9,751 1,752 1,755 10,758 10,761 12,762 16,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 7,794 0.571,795 4,801 1,803 1,806 1,811 3,812 4,813 1,815 1,839 3,840 4,844 1,848 39,854 11,855 2,856 3,858 3,859 1,860 1,870 5.4,873 1,874 3,877 18.25,878 13.333,879 8.333,880 4.965,881 3.03,882 1.331,883 1.003,884 6.774,885 12.192,886 4.007,887 4.582,888 5.163,889 5.775,890 6.327,891 6.792,892 7.323,893 7.817,894 8.218,895 8.659,896 1,897 65,898 14.55,900 6.454,901 7.575,902 28.531,904 24.987,905 2.075,906 80.917,910 388.446,911 105.649,912 91.156,914 58.145,917 105.649,918 446.591,919 91.156,920 8.825,921 66.731,922 37.905,923 121.865,924 24.792,925 6.604,926 376.675,928 388.446,929 196.805,930 58.145,933 214.208,934 201.711,935 33,937 88.095,938 56.148,939 50.234,941 388.446,942 149.301,943 105.649,946 388.446,947 49.871,948 60.678,949 36.022,950 108.379,951 388.446,952 149.301,953 105.649,955 0.589,956 0.347,957 0.192,958 0.099,959 36,960 14,961 0.063,962 5,963 3,964 1.182,965 4.917,966 421.204,967 0.182,968 33,969 188.131,974 25.364,975 10.416,976 4.938,977 1.829,978 147.524,979 9.599,980 15.025,984 3.172,985 2.089,986 36.022,987 643.396,988 54,993 11.944,997 -0.223,999 74.392,1000 84.139,1001 0.256,1002 0.593,1003 0.784,1004 0.846,1005 0.846,1006 0.846,1007 5.303,1008 2.072,1009 6.301,1010 6.761,1011 4.89,1012 5.27,1013 2.54,1014 7.174,1015 4.799,1016 6.494,1017 1.879,1018 7.895,1019 5.638,1020 4.575,1021 5.13,1022 1.305,1023 8.33,1024 4.466,1025 7.815,1026 1.523,1027 9.593,1028 5.493,1029 6.575,1030 7.428,1031 3.016,1032 11.396,1033 6.406,1034 9.17,1035 1.497,1036 11.357,1037 4.579,1038 7.107,1039 8.157,1040 2.354,1041 13.402,1042 6.922,1043 10.561,1044 1.373,1045 13.164,1046 4.251,1047 8.572,1048 9.957,1049 3.72,1050 16.038,1051 8.34,1052 11.976,1053 1.112,1054 15.003,1055 3.245,1056 9.471,1057 11.091,1058 3.414,1059 18.359,1060 9.221,1061 13.409,1062 1.011,1063 16.864,1064 2.87,1065 10.745,1066 12.711,1067 4.529,1068 20.889,1069 10.459,1070 3.375,1071 1,1072 18.744,1073 2.372,1074 11.805,1075 14.045,1076 4.466,1077 23.326,1078 11.5,1079 3.279,1080 12.672,1081 20.637,1082 2.275,1083 13.013,1084 15.598,1085 5.398,1086 25.834,1087 12.681,1088 2.914,1089 11.626,1090 22.541,1091 4.638,1092 14.144,1093 17.032,1094 5.504,1095 28.316,1096 13.793,1097 2.821,1098 9.688,1099 24.454,1100 3.796,1101 15.334,1102 18.563,1103 6.306,1104 30.824,1105 14.96,1106 2.607,1107 8.983,1108 26.374,1109 3.407,1110 16.498,1111 20.046,1112 6.531,1113 33.327,1114 16.105,1115 2.498,1116 8.076,1117 28.301,1118 3.322,1119 17.685,1120 21.572,1121 7.242,1122 35.84,1123 17.273,1124 2.13,1125 7.341,1126 30.233,1127 3.166,1128 18.865,1129 23.079,1130 7.551,1131 38.352,1132 18.436,1133 23294,1134 35732,1135 31.205,1136 47.517,1137 68.778,1138 70.19,1139 70.183,1140 68.258,1141 68.342,1142 81.636,1143 10.973,1144 205.669,1145 65.186,1146 5.695,1147 5.84,1148 6.981,1149 5.467,1150 5.375,1151 7.638,1152 3.048,1153 20.243,1154 5.329,1155 12.823,1156 1.528,1157 1.56,1158 1.56,1159 1.517,1160 1.519,1161 1.814,1162 0.244,1163 4.57,1164 1.449,1165 4.15,1166 4.199,1167 4.122,1168 3.992,1169 7.431,1170 4.017,1171 3.917,1172 3.957,1173 3.849,1174 3.814,1175 5.137,1176 3.817,1177 3.902,1178 3.939,1179 3.809,1180 3.744,1181 4.84,1182 3.752,1183 3.845,1184 3.88,1185 3.764,1186 3.681,1187 4.752,1188 3.694,1189 3.617,1190 3.688,1191 3.516,1192 3.376,1193 4.67,1194 3.392,1195 3.519,1196 3.569,1197 3.396,1198 3.305,1199 4.483,1200 3.319,1201 3.304,1202 3.378,1203 3.192,1204 3.087,1205 4.22,1206 3.108,1207 3.245,1208 3.323,1209 3.106,1210 3.011,1211 4.054,1212 3.025,1213 0.104,1214 0.085,1215 0.16,1216 0.097,1217 0.075,1218 4.695,1219 0.103,1220 3.84,1221 0.037,1222 7.209,1223 0.282,1224 4.36,1225 0.074,1226 3.375,1227 4.638,1228 1.656,1229 12.672,1230 3.329,1231 1.956,1232 1.925,1233 2.062,1234 2.099,1235 1.457,1236 2.083,1237 1.865,1238 1.822,1239 2.018,1240 2.016,1241 1.255,1242 2.02,1243 1.775,1244 1.735,1245 1.898,1246 1.949,1247 1.22,1248 1.937,1249 1.604,1250 1.543,1251 1.86,1252 1.825,1253 1.106,1254 1.827,1255 1.575,1256 1.526,1257 1.843,1258 1.76,1259 0.989,1260 1.798,1261 1.546,1262 1.472,1263 1.698,1264 1.753,1265 0.958,1266 1.742,1267 1.399,1268 1.34,1269 1.691,1270 1.658,1271 0.894,1272 1.669,1273 1.305,1274 1.244,1275 1.513,1276 1.599,1277 0.825,1278 1.554,1279 4.511,1281 5.872,1282 3.434,1283 7.424,1284 5.778,1285 9.063,1286 7.847,1287 10.75,1289 1.889,1295 9.314,1296 5.603,1297 18.029,1299 0.71,1300 2.354,1301 -0.415,1305 45.384,1306 117.717,1307 272.264,1308 360.215,1309 388.745,1310 388.745,1311 388.745,1312 63,1313 9.162,1314 115.66,1315 115.66,1316 39,1317 13.187,1318 4.17,1319 3.322,1320 50.222,1321 181,1322 241,1323 0.132,1324 267.728,1325 464.78,1326 645.017,1327 128922,1329 26.399,1330 0.677,1331 0.571,1332 26.399,1333 22.266,1334 19.088,1335 0.424,1336 0.315,1337 13.932,1338 18.14,1339 13.743,1340 11.175,1341 19.088,1342 14.179,1343 17.696,1344 0.268,1345 0.166,1346 17.696,1347 10.96,1348 15.596,1349 0.17,1350 0.091,1351 15.596,1352 8.391,1353 13.784,1354 0.108,1355 0.05,1356 13.784,1357 6.447,1358 10.961,1359 0.066,1360 0.027,1361 10.961,1362 4.559,1363 0.206,1364 120.877,1365 0.179,1366 34.935,1367 0.366,1368 222,1369 615.833,1370 252.155,1371 574.808,1372 807.6,1373 546,1374 269,1375 618.561,1376 299.967,1377 608.722,1378 914.28,1379 579,1380 5.339}
{0 CHEMBL601023,1 1.679,2 14.5,3 2.354,4 5.542,5 143.74,6 7.455,7 0.348,8 4.439,9 4.559,10 4.016,11 3.898,12 5.446,13 3.905,14 5.069,15 5.24,16 4.437,17 4.34,18 6.095,19 4.33,20 5.359,21 5.583,22 4.443,23 4.482,24 6.299,25 4.431,26 5.34,27 5.582,28 4.384,29 4.479,30 6.274,31 4.406,32 5.295,33 5.537,34 4.402,35 4.469,36 6.327,37 4.394,38 5.243,39 5.471,40 4.419,41 4.461,42 6.195,43 4.406,44 5.235,45 5.439,46 4.467,47 4.48,48 6.234,49 4.432,50 5.319,51 5.55,52 4.36,53 4.523,54 6.273,55 4.43,56 0.131,57 1.222,58 15.855,59 6.626,60 11.77,61 8.815,62 0.745,63 1.993,64 33.973,65 11.495,66 53.468,67 15.64,68 1.14,69 2.367,70 49.658,71 14.154,72 84.699,73 20.736,74 0.955,75 2.369,76 48.136,77 14.046,78 74.208,79 21.164,80 0.992,81 2.293,82 45.865,83 14.021,84 105.368,85 21.509,86 0.763,87 2.288,88 42.081,89 12.862,90 60.043,91 19.445,92 0.742,93 2.332,94 40.377,95 12.935,96 51.623,97 19.198,98 0.823,99 2.416,100 45.803,101 15.797,102 78.343,103 22.53,104 10,105 67,106 0.259,107 0.581,108 0.757,109 0.817,110 0.817,111 0.817,112 3.718,113 0.929,114 -4.78,115 -4.7,116 -4.41,119 37.8,121 6,125 6,127 3,131 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 4,175 15,178 2,179 1,180 2,183 6,186 2,187 14,192 2,195 4,198 5,199 12,204 3,207 3,211 3,212 12,217 2,220 6,223 2,224 11,227 2,229 1,232 4,236 5,237 15,245 8,249 2,250 2,253 4,255 1,258 12,262 4,263 6,266 1,271 12,275 3472,276 27.764,277 27.764,278 27.764,279 27.764,280 27.764,281 25.876,282 34.189,283 16.206,284 28.448,285 22.714,286 22.714,287 22.714,288 22.714,289 22.714,290 19.672,291 42.86,292 7.685,293 23.896,294 4.53,295 2.446,296 1.304,297 0.919,298 0.919,299 0.919,300 4.444,306 1314,307 3.937,310 299.427,311 459.527,312 123.246,314 168.611,318 2.1,319 46.693,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 89,331 580,332 4.695,333 3.84,334 7.209,335 4.36,336 3.375,337 4.638,338 1.656,339 12.672,340 3.329,341 4.363,342 3.546,343 6.904,344 4.231,345 3.279,346 3.796,347 1.392,348 11.626,349 3.115,350 4.18,351 3.413,352 6.346,353 3.844,354 2.914,355 3.407,356 0.86,357 9.688,358 2.748,359 4.027,360 3.192,361 6.114,362 3.794,363 2.821,364 3.322,365 0.8,366 8.983,367 2.704,368 3.84,369 2.889,370 5.771,371 3.559,372 2.607,373 3.167,374 0.532,375 8.076,376 2.475,377 3.708,378 2.767,379 5.472,380 3.461,381 2.5,382 2.796,383 0.247,384 7.343,385 2.395,386 3.467,387 2.428,388 5.418,389 3.081,390 2.132,391 2.702,393 6.761,394 2.032,395 3.267,396 2.285,397 4.879,398 3.056,399 2.083,400 2.36,402 5.638,403 1.998,404 2.963,405 2.167,406 4.827,407 2.839,408 1.879,409 2.165,411 5.52,412 1.794,413 2.879,414 2.093,415 4.696,416 2.463,417 1.525,418 1.879,420 4.579,421 1.426,422 2.697,423 1.859,424 4.409,425 2.457,426 1.512,427 1.726,428 4.257,429 1.424,430 2.578,431 1.568,432 4.111,433 2.301,434 1.377,435 1.604,436 3.245,437 1.26,438 2.5,439 1.535,440 3.802,441 2.277,442 1.343,443 1.5,445 2.87,446 1.234,447 2.44,448 1.478,449 3.79,450 2.055,451 1.102,452 1.421,454 2.5,455 1.046,456 2.386,457 1.22,458 3.666,459 2,460 1,461 1.379,463 2.372,464 1,465 18.419,466 0.46,467 0.928,468 0.023,469 45,470 1.125,471 16.5,472 0.413,473 28.5,474 0.713,475 43.714,476 1.093,477 45.181,478 0.611,479 37.38,480 0.935,481 8.297,482 0.207,483 11.291,484 0.282,485 0.034,486 0.027,487 0.315,488 1,493 0.754,494 1.385,495 0.743,496 1.253,497 0.573,498 1.035,499 0.995,500 1.125,501 0.92,502 1.087,503 0.733,504 1.005,505 1.194,506 0.974,507 1.048,508 0.907,509 0.833,510 0.943,511 0.904,512 0.898,513 1.025,514 0.929,515 0.767,516 0.98,517 0.622,518 0.924,519 0.852,520 0.918,521 0.686,522 0.927,523 0.758,524 0.969,525 0.939,526 0.948,527 0.672,528 0.957,529 0.737,530 1.129,531 0.993,532 1.121,533 0.514,534 1.099,535 0.734,536 0.938,537 1.053,538 1.101,539 0.676,540 1.133,541 8.5,542 0.328,543 4.222,544 2.139,545 1.921,546 1.591,547 0.999,548 0.616,549 0.507,550 0.424,551 27805,552 72749,553 2.22,554 45.9,556 19,558 1,559 2,561 8,562 4,564 1.805,565 2.133,566 3.726,567 0.199,573 124.268,574 1.679,575 3.763,576 4.905,577 5.291,578 5.291,579 5.291,580 3.215,581 4.653,582 5.282,583 3.948,584 3079.45,585 9.36,586 52376.5,591 459.5,592 1.294,593 5.273,594 0.185,595 0.007,596 0.063,597 0.032,598 0.031,599 0.025,600 0.015,601 0.009,602 0.008,603 0.008,604 0.383,605 0.17,606 0.63,607 1.014,608 224.283,609 -0.026,610 -0.191,611 0.081,612 -0.104,613 -0.017,614 -0.006,615 0.02,616 -0.028,617 0.007,618 -0.045,619 0.023,620 -0.029,621 -0.156,622 -0.029,623 -0.067,624 0.063,625 -0.057,626 0.02,627 -0.102,628 0.05,629 -0.073,630 0.027,631 -0.051,632 -0.008,633 0.101,634 0.018,635 0.086,636 0.073,637 0.117,638 0.075,639 -0.044,640 0.043,641 -0.019,642 0.037,643 -0.05,644 0.025,645 0.006,646 -0.081,647 -0.089,648 -0.11,649 0.014,650 -0.116,651 -0.012,652 0.087,653 -0.133,654 -0.071,655 0.007,656 -0.117,657 2.112,658 4.936,659 0.825,660 55.34,661 1.012,662 1.142,663 3.554,664 12.628,665 0.641,666 3.85,667 4.22,668 4.543,669 4.868,670 5.13,671 5.342,672 5.587,673 5.808,674 6.031,675 6.246,676 8.265,677 0.618,678 551.69,679 3.85,680 5.425,681 6.304,682 7.212,683 8.109,684 9.023,685 9.929,686 10.848,687 11.761,688 12.683,689 9.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 74,733 17,734 1,735 46,737 80,738 28,739 11,740 2,741 4,744 1,746 7,747 9,751 1,752 1,755 10,758 10,761 12,762 16,766 1,771 1,775 1,779 1,781 34,782 11,783 2,784 12,790 7,794 0.571,795 4,801 1,803 1,806 1,811 3,812 4,813 1,815 1,839 3,840 4,846 1,848 40,854 12,855 2,856 3,858 3,859 1,860 1,869 1,870 5.4,873 1,874 3,877 18.75,878 12.976,879 8.583,880 4.786,881 3.043,882 1.331,883 1.003,884 7.186,885 12.251,886 4.025,887 4.593,888 5.168,889 5.778,890 6.332,891 6.793,892 7.325,893 7.818,894 8.22,895 8.662,896 0.9,897 66,898 14.942,900 6.658,901 7.71,902 28.994,904 25.365,905 2.21,906 88.417,910 376.675,911 105.294,912 91.156,914 58.145,915 14.96,917 105.294,918 434.82,919 106.117,921 75.201,922 37.905,923 121.865,924 24.792,925 21.564,926 364.904,928 376.675,929 196.45,930 73.105,933 252.71,934 166.398,935 33,937 87.74,938 56.148,939 50.234,941 391.635,942 149.301,943 105.294,946 376.675,947 58.341,948 51.853,949 36.022,950 123.339,951 376.675,952 164.261,953 105.294,955 0.586,956 0.344,957 0.189,958 0.101,959 36,960 14,961 0.063,962 5,963 3,964 1.182,965 5.015,966 432.22,967 0.182,968 33,969 194.877,974 26.238,975 10.955,976 5.25,977 1.766,978 162.485,979 9.275,980 14.944,984 2.918,985 2.062,986 36.022,987 646.23,988 55,993 11.936,997 -0.445,999 74.905,1000 84.478,1001 0.27,1002 0.606,1003 0.79,1004 0.852,1005 0.852,1006 0.852,1007 5.318,1008 2.083,1009 6.312,1010 6.761,1011 4.905,1012 5.281,1013 2.54,1014 7.18,1015 4.811,1016 6.504,1017 1.879,1018 7.902,1019 5.638,1020 4.575,1021 5.13,1022 1.305,1023 8.33,1024 4.466,1025 7.822,1026 1.525,1027 9.598,1028 5.52,1029 6.583,1030 7.431,1031 3.016,1032 11.397,1033 6.412,1034 9.175,1035 1.512,1036 11.359,1037 4.579,1038 7.107,1039 8.157,1040 2.354,1041 13.402,1042 6.922,1043 10.565,1044 1.377,1045 13.166,1046 4.257,1047 8.576,1048 9.958,1049 3.72,1050 16.039,1051 8.342,1052 11.978,1053 1.343,1054 15.004,1055 3.245,1056 9.471,1057 11.091,1058 3.414,1059 18.359,1060 9.221,1061 13.41,1062 1.102,1063 16.865,1064 2.87,1065 10.746,1066 12.711,1067 4.529,1068 20.889,1069 10.46,1070 3.375,1071 1,1072 18.744,1073 2.5,1074 11.805,1075 14.045,1076 4.466,1077 23.326,1078 11.5,1079 3.279,1080 12.672,1081 20.637,1082 2.372,1083 13.014,1084 15.598,1085 5.398,1086 25.834,1087 12.681,1088 2.914,1089 11.626,1090 22.541,1091 4.638,1092 14.144,1093 17.032,1094 5.504,1095 28.316,1096 13.793,1097 2.821,1098 9.688,1099 24.454,1100 3.796,1101 15.334,1102 18.563,1103 6.306,1104 30.824,1105 14.96,1106 2.607,1107 8.983,1108 26.374,1109 3.407,1110 16.498,1111 20.046,1112 6.531,1113 33.327,1114 16.106,1115 2.5,1116 8.076,1117 28.301,1118 3.322,1119 17.685,1120 21.572,1121 7.242,1122 35.84,1123 17.273,1124 2.132,1125 7.343,1126 30.233,1127 3.167,1128 18.865,1129 23.079,1130 7.551,1131 38.352,1132 18.436,1133 25268,1134 41003,1135 31.898,1136 47.455,1137 69.82,1138 72.25,1139 71.524,1140 69.405,1141 69.525,1142 82.812,1143 10.973,1144 208.116,1145 66.11,1146 5.695,1147 5.84,1148 7.073,1149 5.467,1150 5.375,1151 7.638,1152 3.048,1153 20.243,1154 5.329,1155 13.066,1156 1.518,1157 1.571,1158 1.555,1159 1.509,1160 1.511,1161 1.8,1162 0.239,1163 4.524,1164 1.437,1165 4.15,1166 4.199,1167 4.122,1168 3.992,1169 8.196,1170 4.017,1171 3.917,1172 3.957,1173 3.849,1174 3.814,1175 7.431,1176 3.817,1177 3.902,1178 3.939,1179 3.809,1180 3.744,1181 5.137,1182 3.752,1183 3.845,1184 3.88,1185 3.764,1186 3.681,1187 4.84,1188 3.694,1189 3.631,1190 3.699,1191 3.538,1192 3.375,1193 4.752,1194 3.401,1195 3.52,1196 3.57,1197 3.4,1198 3.305,1199 4.67,1200 3.319,1201 3.318,1202 3.385,1203 3.226,1204 3.087,1205 4.482,1206 3.113,1207 3.253,1208 3.33,1209 3.141,1210 3.011,1211 4.102,1212 3.027,1213 0.102,1214 0.083,1215 0.157,1216 0.095,1217 0.073,1218 4.695,1219 0.101,1220 3.84,1221 0.036,1222 7.209,1223 0.275,1224 4.36,1225 0.072,1226 3.375,1227 4.638,1228 1.656,1229 12.672,1230 3.329,1231 1.956,1232 1.925,1233 2.062,1234 2.099,1235 1.457,1236 2.083,1237 1.865,1238 1.822,1239 2.018,1240 2.016,1241 1.255,1242 2.02,1243 1.775,1244 1.735,1245 1.898,1246 1.949,1247 1.22,1248 1.937,1249 1.604,1250 1.543,1251 1.86,1252 1.827,1253 1.107,1254 1.813,1255 1.572,1256 1.525,1257 1.781,1258 1.76,1259 0.995,1260 1.798,1261 1.532,1262 1.462,1263 1.697,1264 1.753,1265 0.958,1266 1.74,1267 1.399,1268 1.34,1269 1.691,1270 1.658,1271 0.894,1272 1.669,1273 1.305,1274 1.244,1275 1.513,1276 1.599,1277 0.825,1278 1.554,1279 4.533,1281 5.889,1282 3.434,1283 7.435,1284 5.778,1285 9.071,1286 7.847,1287 10.756,1291 12.366,1295 7.893,1296 5.182,1297 17.994,1299 0.635,1300 2.326,1301 -0.434,1305 45.767,1306 124.268,1307 278.488,1308 362.97,1309 391.5,1310 391.5,1311 391.5,1312 70.438,1313 9.208,1314 115.66,1315 115.66,1316 39,1317 13.192,1318 4.17,1319 3.322,1320 52.146,1321 193,1322 268,1323 0.128,1324 268.926,1325 470.85,1326 647.94,1327 137150,1328 1.4,1329 27.106,1330 0.678,1331 0.559,1332 26.399,1333 22.351,1334 19.588,1335 0.426,1336 0.31,1337 13.957,1338 18.506,1339 13.829,1340 11.174,1341 19.088,1342 14.239,1343 18.049,1344 0.269,1345 0.165,1346 17.696,1347 11.046,1348 15.865,1349 0.171,1350 0.091,1351 15.596,1352 8.434,1353 13.843,1354 0.107,1355 0.05,1356 13.784,1357 6.447,1358 11.274,1359 0.067,1360 0.027,1361 10.961,1362 4.589,1363 0.201,1364 124.937,1365 0.177,1366 35.772,1367 0.354,1368 226,1369 705.945,1370 258.822,1371 629.952,1372 866.92,1373 598,1374 273,1375 639.227,1376 305.976,1377 626.297,1378 940.16,1379 595,1380 5.29}
{0 CHEMBL601054,1 1.542,2 8.821,3 3.625,4 13.139,5 105.418,6 8.053,7 0.688,8 3.965,9 4.066,10 3.613,11 3.549,12 5.116,13 3.546,14 4.465,15 4.602,16 3.973,17 3.93,18 5.594,19 3.915,20 4.674,21 4.859,22 4.016,23 4.022,24 5.75,25 3.984,26 4.675,27 4.886,28 3.996,29 3.989,30 5.739,31 3.954,32 4.641,33 4.827,34 4.032,35 4.02,36 5.767,37 3.988,38 4.688,39 4.874,40 4.018,41 4.058,42 5.734,43 4.019,44 4.708,45 4.897,46 3.958,47 4.046,48 5.779,49 3.986,50 4.667,51 4.853,52 3.817,53 4.017,54 5.726,55 3.921,56 0.062,57 0.675,58 7.996,59 3.967,60 8.768,61 4.678,62 0.18,63 1.104,64 14.927,65 6.511,66 18.38,67 7.775,68 0.238,69 1.345,70 20.728,71 8.12,72 29.031,73 10.299,74 0.286,75 1.402,76 21.49,77 7.551,78 31.115,79 9.973,80 0.344,81 1.338,82 19.709,83 7.315,84 37.531,85 9.54,86 0.233,87 1.405,88 20.315,89 7.572,90 23.386,91 9.589,92 0.445,93 1.375,94 21.456,95 8.054,96 30.354,97 10.261,98 0.169,99 1.233,100 20.373,101 9.31,102 27.898,103 12.016,104 2,105 45,106 0.259,107 0.621,108 0.765,109 0.855,110 0.877,111 0.877,112 3.376,113 0.86,114 -4.9,115 -4.8,116 -4.51,119 47.8,121 1,125 2,135 1,136 1,142 9,143 2,144 2,145 1,146 1,149 1,161 1,166 1,172 10,174 2,175 11,180 2,183 10,186 1,187 11,192 2,195 6,198 2,199 11,204 1,207 4,211 1,212 15,215 2,220 8,224 6,232 11,236 3,237 5,240 1,242 2,245 16,250 4,253 1,255 2,258 14,263 3,268 2,271 8,275 1144,276 19.568,277 19.568,278 19.568,279 19.568,280 19.568,281 16.823,282 14.32,283 11.727,284 19.951,285 15.868,286 15.868,287 15.868,288 15.868,289 15.868,290 11.728,291 10.734,292 5.627,293 16.509,294 3.982,295 1.828,296 0.968,297 0.435,298 0.304,299 0.304,300 4.092,303 1,304 1,305 1,306 551,307 2.121,310 56.346,311 297.185,314 101.746,318 1.204,319 22.3,321 1,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 60,331 247,332 4.718,333 3.341,334 6.903,335 4.248,336 3.288,337 4.676,338 1.151,339 11.617,340 3.158,341 4.221,342 2.989,343 6.328,344 3.819,345 2.854,346 3.84,348 9.591,349 2.755,350 4.125,351 2.872,352 6.124,353 3.74,354 2.76,355 3.67,357 9.006,358 2.698,359 3.767,360 2.568,361 5.574,362 3.32,363 2.344,364 3.224,366 7.156,367 2.288,368 3.595,369 2.373,370 5.05,371 3.153,372 2.2,373 3.017,375 6.076,376 2.088,377 3.241,378 2.184,379 4.792,380 2.793,381 1.843,382 2.501,384 4.963,385 1.753,386 2.942,387 1.731,388 4.327,389 2.458,390 1.513,391 2.141,393 4.043,394 1.422,395 2.871,396 1.532,397 4.161,398 2.422,399 1.468,400 2.012,402 3.569,403 1.394,404 2.652,405 1.467,406 3.753,407 2.17,408 1.225,409 1.722,411 2.916,412 1.156,413 2.5,414 1.387,415 3.5,416 2.087,417 1.133,418 1.5,420 2.602,421 1.067,422 2.5,423 1.174,424 3.474,425 2,426 1,427 1.5,428 2.488,429 1,430 2.449,431 1,432 3.399,433 1.969,434 1,435 1.422,436 2.136,437 0.964,438 2.152,439 1,440 3.247,441 1.967,442 1,443 1.052,445 2.136,446 0.963,447 2.005,448 0.697,449 3.247,450 1.578,451 0.634,452 0.886,454 1.753,455 0.596,456 1.07,457 -0.057,458 2.756,459 0.629,460 -0.317,461 -0.412,463 -0.808,464 -0.298,465 13.267,466 0.474,467 0.551,468 0.02,469 40.5,470 1.446,471 22,472 0.786,473 18.5,474 0.661,475 19.902,476 0.711,477 28.133,478 0.612,479 30.051,480 1.073,481 8.101,482 0.289,483 5.692,484 0.203,485 0.025,487 0.332,493 0.845,494 1.117,495 0.705,496 0.955,497 0.914,498 0.84,499 1.066,500 1.15,501 0.866,502 0.991,503 0.766,504 0.921,505 1.033,506 1.221,507 0.912,508 0.995,509 0.915,510 0.948,511 0.92,512 1.057,513 0.886,514 0.843,515 0.874,516 0.835,517 0.809,518 1.052,519 0.885,520 0.855,521 0.756,522 0.861,523 1.05,524 1.078,525 1.054,526 0.964,527 0.815,528 0.974,529 0.951,530 0.871,531 1.144,532 0.963,533 0.89,534 1.045,535 0.709,536 1.06,537 1.092,538 1.296,539 0.847,540 1.269,541 4,542 0.062,543 2.889,544 1.472,545 1.294,546 1.094,547 0.709,548 0.351,549 0.189,550 0.126,551 9321,552 24352,553 2.223,554 39.1,556 14,558 1,559 1,561 2,564 1.72,565 2.154,566 3.136,567 -0.358,569 1,573 70.918,574 1.542,575 3.695,576 4.556,577 5.089,578 5.219,579 5.219,580 2.445,581 4.45,582 4.777,583 3.287,584 1242.62,585 8.362,586 15904.4,588 1,590 1,591 254.084,592 1.108,593 4.769,594 0.125,595 0.005,596 0.064,597 0.032,598 0.029,599 0.023,600 0.015,601 0.008,602 0.005,603 0.005,604 0.313,605 0.33,606 0.88,607 0.343,608 136.928,609 -0.003,610 -0.055,611 0.057,612 -0.012,613 -0.109,614 0.019,615 -0.055,616 -0.101,617 -0.019,618 -0.052,619 -0.018,620 -0.043,621 -0.077,622 -0.193,623 0.018,624 -0.047,625 -0.013,626 -0.016,627 -0.056,628 0.039,629 0.066,630 0.071,631 -0.024,632 0.088,633 0.071,634 0.039,635 0.024,636 0.063,637 0.088,638 0.043,639 -0.186,640 0.019,641 -0.154,642 -0.051,643 -0.114,644 -0.077,645 0.036,646 0.188,647 -0.216,648 -0.03,649 -0.067,650 -0.13,651 0.05,652 -0.142,653 -0.174,654 -0.278,655 0.067,656 -0.262,657 1.482,658 3.897,659 0.964,660 24,661 1.005,662 1.116,663 3.667,664 13.446,665 0.701,666 3.497,667 3.829,668 4.159,669 4.489,670 4.779,671 4.927,672 5.176,673 5.371,674 5.501,675 5.602,676 5.645,677 0.678,678 370.44,679 3.497,680 5.043,681 5.916,682 6.81,683 7.705,684 8.611,685 9.517,686 10.43,687 11.343,688 12.261,689 8.7,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,728 1,731 46,733 23,734 2,735 32,737 50,738 22,739 17,740 3,741 9,742 2,746 5,747 6,755 1,758 1,761 19,762 3,766 1,773 1,775 1,777 1,778 1,781 18,782 5,783 1,784 6,790 4,794 0.8,795 2,803 1,806 1,811 1,812 4,815 1,831 1,832 1,839 1,840 4,848 28,853 1,854 3,856 1,870 4.3,872 1,874 1,877 13,878 8.333,879 6.083,880 2.748,881 3.926,882 1.496,883 1.023,884 4.301,885 11.837,886 3.807,887 4.457,888 5.132,889 5.808,890 6.426,891 6.87,892 7.451,893 7.971,894 8.39,895 8.823,896 0.833,897 46,898 10.317,900 4.466,901 7.655,902 19.806,904 16.548,905 2.155,906 60.333,909 1,910 200.109,911 134.03,912 52.011,914 53.683,917 134.03,918 253.792,919 52.011,921 11.719,922 94.762,923 117.404,924 27.61,926 188.338,928 200.109,929 186.041,930 53.683,933 178.894,934 66.226,935 11,937 27.015,938 96.987,939 59.71,941 200.109,942 105.694,943 134.03,946 200.109,947 30.22,948 105.586,950 103.917,951 200.109,952 105.694,953 134.03,955 0.577,956 0.341,957 0.197,958 0.113,959 24,960 9,961 0.06,962 3,963 1,964 1.074,965 3.949,966 264.732,967 0.074,968 27,969 130.606,974 16.965,975 7.099,976 3.179,977 1.642,978 103.917,979 18.73,980 14.221,984 3.309,985 1.826,986 42.683,987 439.833,988 44,995 2.067,997 1.132,999 46.247,1000 51.318,1001 0.279,1002 0.669,1003 0.825,1004 0.921,1005 0.945,1006 0.945,1007 5.034,1008 1.468,1009 5.889,1010 4.043,1011 4.511,1012 5.145,1013 1.294,1014 6.725,1015 4.435,1016 6.25,1017 1.225,1018 7.452,1019 3.569,1020 4.007,1021 4.902,1023 7.662,1024 3.895,1025 7.565,1026 1.133,1027 9.121,1028 2.916,1029 6.111,1030 7.414,1031 1.506,1032 10.826,1033 5.968,1034 8.923,1035 1,1036 10.856,1037 2.602,1038 6.494,1039 8.076,1041 12.643,1042 6.312,1043 10.316,1044 1,1045 12.635,1046 2.488,1047 8.025,1048 10.006,1049 1.731,1050 15.31,1051 7.811,1052 11.736,1053 1,1054 14.443,1055 2.136,1056 8.821,1057 11.107,1059 17.479,1060 8.566,1061 13.178,1062 0.634,1063 16.274,1064 2.136,1065 10.119,1066 12.793,1067 1.968,1068 19.984,1069 9.83,1070 3.288,1071 -0.317,1072 18.119,1073 1.753,1074 11.113,1075 14.114,1077 22.301,1078 10.78,1079 2.854,1080 11.617,1081 19.977,1082 -0.808,1083 12.319,1084 15.7,1085 2.214,1086 24.754,1087 11.95,1088 2.76,1089 9.591,1090 21.845,1091 4.676,1092 13.406,1093 17.131,1095 27.137,1096 12.993,1097 2.344,1098 9.006,1099 23.72,1100 3.84,1101 14.581,1102 18.679,1103 2.468,1104 29.577,1105 14.129,1106 2.2,1107 7.156,1108 25.601,1109 3.67,1110 15.712,1111 20.164,1113 31.991,1114 15.216,1115 1.843,1116 6.076,1117 27.488,1118 3.224,1119 16.881,1120 21.7,1121 2.727,1122 34.43,1123 16.344,1124 1.513,1125 4.963,1126 29.38,1127 3.017,1128 18.034,1129 23.212,1131 36.861,1132 17.454,1133 8616,1134 14062,1135 22.364,1136 32.262,1137 48.975,1138 48.835,1139 49.005,1140 48.581,1141 48.523,1142 66.328,1143 2.302,1144 140.1,1145 46.603,1146 5.639,1147 5.341,1148 6.705,1149 5.324,1150 5.288,1151 7.676,1152 2.302,1153 19.164,1154 5.158,1155 6.891,1156 1.53,1157 1.526,1158 1.531,1159 1.518,1160 1.516,1161 2.073,1162 0.072,1163 4.378,1164 1.456,1165 4.146,1166 4.189,1167 4.128,1168 4.012,1169 6.471,1170 4.034,1171 3.894,1172 3.922,1173 3.839,1174 3.822,1175 5.15,1176 3.821,1177 3.83,1178 3.858,1179 3.759,1180 3.756,1181 4.767,1182 3.753,1183 3.714,1184 3.755,1185 3.625,1186 3.564,1187 4.661,1188 3.574,1189 3.238,1190 3.299,1191 3.197,1192 3.029,1193 4.621,1194 3.06,1195 3.045,1196 3.132,1197 2.922,1198 2.886,1199 4.396,1200 2.869,1201 2.979,1202 3.021,1203 2.8,1204 2.802,1205 4.024,1206 2.805,1207 2.922,1208 2.967,1209 2.788,1210 2.746,1211 3.674,1212 2.747,1213 0.147,1214 0.104,1215 0.216,1216 0.133,1217 0.103,1218 4.718,1219 0.146,1220 3.341,1221 0.036,1222 6.903,1223 0.363,1224 4.248,1225 0.099,1226 3.288,1227 4.676,1228 1.151,1229 11.617,1230 3.158,1231 1.97,1232 1.943,1233 2.046,1234 2.092,1235 1.243,1236 2.076,1237 1.887,1238 1.857,1239 2.003,1240 1.99,1241 1.096,1242 1.994,1243 1.825,1244 1.8,1245 1.959,1246 1.94,1247 1.065,1248 1.947,1249 1.589,1250 1.552,1251 1.706,1252 1.762,1253 0.856,1254 1.749,1255 1.251,1256 1.178,1257 1.43,1258 1.537,1259 0.677,1260 1.494,1261 1.079,1262 0.993,1263 1.36,1264 1.296,1265 0.357,1266 1.348,1267 0.998,1268 0.96,1269 1.181,1270 1.174,1271 0.258,1272 1.156,1273 0.886,1274 0.838,1275 1.163,1276 1.116,1277 0.238,1278 1.127,1279 4.174,1281 5.501,1282 2.398,1283 7.038,1284 4.727,1285 8.668,1286 6.862,1287 10.348,1294 9.897,1295 2.044,1297 5.465,1305 31.203,1306 70.918,1307 169.991,1308 209.555,1309 234.084,1310 240.084,1311 240.084,1312 35.427,1313 7.911,1314 73.06,1315 73.06,1316 29,1317 12.772,1318 4.585,1319 3.7,1320 37.229,1321 95,1322 93,1323 0.195,1324 187.803,1325 316.3,1326 450,1327 27442,1329 18.924,1330 0.676,1331 0.54,1332 18.924,1333 15.116,1334 13.793,1335 0.431,1336 0.287,1337 9.051,1338 13.302,1339 8.896,1340 7.324,1341 13.793,1342 9.172,1343 12.292,1344 0.273,1345 0.147,1346 12.292,1347 6.63,1348 10.787,1349 0.171,1350 0.076,1351 10.787,1352 4.801,1353 9.528,1354 0.108,1355 0.039,1356 9.528,1357 3.427,1358 8.076,1359 0.068,1360 0.02,1361 8.076,1362 2.361,1363 0.294,1364 86.142,1365 0.211,1366 26.054,1367 0.578,1368 154,1369 434.466,1370 167.669,1371 423.496,1372 596.4,1373 400,1374 185,1375 455.819,1376 199.949,1377 460.923,1378 682.25,1379 436,1380 7.229}
{0 CHEMBL601073,1 1.741,2 12.697,3 2.9,4 8.408,5 125.044,6 8.411,7 0.553,8 4.16,9 4.279,10 3.877,11 3.696,12 5.257,13 3.688,14 4.687,15 4.851,16 4.222,17 4.055,18 5.777,19 4.025,20 4.869,21 5.085,22 4.183,23 4.1,24 5.909,25 4.061,26 4.843,27 5.054,28 4.235,29 4.098,30 5.942,31 4.073,32 4.856,33 5.064,34 4.177,35 4.105,36 5.97,37 4.079,38 4.832,39 5.023,40 4.186,41 4.131,42 5.902,43 4.094,44 4.853,45 5.053,46 4.117,47 4.182,48 5.848,49 4.102,50 4.899,51 5.118,52 3.915,53 4.172,54 5.821,55 4.022,56 0.127,57 0.948,58 9.934,59 4.698,60 8.575,61 5.567,62 0.468,63 1.487,64 21.504,65 7.853,66 28.954,67 9.602,68 0.615,69 1.659,70 30.277,71 9.252,72 42.205,73 11.774,74 0.496,75 1.665,76 26.203,77 8.267,78 38.6,79 11.139,80 0.529,81 1.63,82 26.777,83 8.348,84 51.472,85 10.805,86 0.555,87 1.651,88 23.828,89 7.886,90 42.79,91 9.904,92 0.558,93 1.657,94 26.631,95 9.208,96 35.561,97 11.646,98 0.407,99 1.589,100 28.974,101 12.421,102 44.455,103 16.475,104 2,105 54,106 0.283,107 0.657,108 0.787,109 0.826,110 0.826,111 0.826,112 3.532,113 0.932,114 -4.7,115 -4.61,116 -4.34,119 40,121 2,125 4,127 1,142 6,143 1,144 1,146 1,147 1,149 1,151 1,153 1,159 1,161 1,166 2,172 6,174 4,175 4,178 2,179 1,180 4,183 6,186 5,187 6,192 3,195 2,198 5,199 14,204 5,211 1,212 9,217 3,223 1,224 13,227 2,229 1,232 6,236 3,237 5,245 10,249 2,250 2,253 4,258 8,263 4,266 2,271 1,275 2045,276 23.032,277 23.032,278 23.032,279 23.032,280 23.032,281 20.523,282 28.502,283 13.631,284 23.816,285 18.834,286 18.834,287 18.834,288 18.834,289 18.834,290 14.941,291 38.192,292 6.547,293 20.113,294 4.04,295 1.732,296 0.937,297 0.691,298 0.691,299 0.691,300 4.246,304 1,305 1,306 957,307 3.162,308 54.245,310 185.121,311 289.591,314 142.048,318 2.004,319 29.145,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 72,331 419,332 4.697,333 3.562,334 6.908,335 4.243,336 3.299,337 4.639,338 1.656,339 11.63,340 3.115,341 4.191,342 3.388,343 6.349,344 3.851,345 2.894,346 3.798,347 0.86,348 9.662,349 2.781,350 4.026,351 3.065,352 6.107,353 3.739,354 2.779,355 3.511,356 0.8,357 8.931,358 2.661,359 3.976,360 2.827,361 5.623,362 3.578,363 2.652,364 3.378,365 0.247,366 7.646,367 2.465,368 3.762,369 2.58,370 5.57,371 3.357,372 2.428,373 3.148,375 7.33,376 2.252,377 3.509,378 2.535,379 5.329,380 3.302,381 2.354,382 2.646,384 6.936,385 2.205,386 3.398,387 2.375,388 4.838,389 2.927,390 1.951,391 2.596,393 5.13,394 1.877,395 3.013,396 2.208,397 4.682,398 2.74,399 1.816,400 2.165,402 5.069,403 1.673,404 2.958,405 1.638,406 4.406,407 2.438,408 1.486,409 2.076,411 4.246,412 1.41,413 2.604,414 1.535,415 4.186,416 2.229,417 1.326,418 1.646,420 3.419,421 1.194,422 2.566,423 1.318,424 3.761,425 2.091,426 1.15,427 1.577,428 2.9,429 1.071,430 2.5,431 1.256,432 3.43,433 2.055,434 1.11,435 1.5,436 2.492,437 1.035,438 2.439,439 1.175,440 3.414,441 2,442 1,443 1.43,445 2.275,446 1,447 2.118,448 1,449 3.388,450 1.952,451 1,452 1,454 2.136,455 0.946,456 2.041,457 0.851,458 3.247,459 1.652,460 0.73,461 0.931,463 1.948,464 0.671,465 15.7,466 0.476,467 0.688,468 0.021,469 44.25,470 1.341,471 21,472 0.636,473 23.25,474 0.705,475 27.478,476 0.833,477 34.7,478 0.631,479 32.824,480 0.995,481 8.364,482 0.253,483 7.878,484 0.239,485 0.021,487 0.338,493 0.785,494 1.292,495 0.683,496 0.979,497 0.574,498 0.882,499 0.929,500 1.172,501 0.897,502 1.024,503 0.612,504 0.972,505 1.134,506 1.045,507 0.971,508 0.885,509 0.962,510 0.856,511 0.906,512 1.094,513 0.751,514 0.902,515 0.96,516 0.906,517 1.274,518 1.07,519 0.892,520 0.824,521 1.472,522 0.875,523 1.308,524 1.027,525 0.991,526 0.842,527 1.291,528 0.992,529 0.984,530 0.912,531 1.168,532 0.989,533 0.67,534 1.11,535 0.387,536 1.021,537 1.026,538 1.317,539 0.443,540 1.412,541 5.5,542 0.137,543 2.944,544 1.757,545 1.293,546 1.288,547 0.727,548 0.304,549 0.254,550 0.222,551 17557,552 47868,553 2.242,554 40,556 15,557 1,559 2,561 4,564 1.753,565 2.176,566 3.564,567 0.282,569 1,573 95.76,574 1.741,575 4.049,576 4.845,577 5.09,578 5.09,579 5.09,580 3.055,581 4.415,582 5.011,583 3.808,584 2010.78,585 8.781,586 30277.3,591 317.975,592 1.096,593 5.007,594 0.145,595 0.006,596 0.058,597 0.034,598 0.025,599 0.025,600 0.015,601 0.007,602 0.007,603 0.009,604 0.33,605 0.17,606 0.75,607 0.306,608 175.533,609 0.005,610 -0.119,611 0.077,612 -0.024,613 0.012,614 0.004,615 0.093,616 -0.076,617 0.005,618 -0.06,619 0.102,620 -0.067,621 -0.075,622 -0.024,623 -0.021,624 0.043,625 -0.022,626 0.079,627 0.006,628 -0.045,629 0.07,630 -0.051,631 0.009,632 0.006,633 -0.212,634 -0.04,635 -0.061,636 0.03,637 -0.145,638 0.031,639 -0.259,640 0.057,641 -0.199,642 -0.002,643 -0.227,644 -0.121,645 -0.139,646 0.158,647 -0.283,648 -0.048,649 -0.096,650 -0.176,651 0.222,652 -0.108,653 -0.161,654 -0.315,655 0.144,656 -0.346,657 1.947,658 5.206,659 0.879,660 38.09,661 1.013,662 1.131,663 3.466,664 12.014,665 0.69,666 3.664,667 4.007,668 4.29,669 4.605,670 4.828,671 5.004,672 5.231,673 5.389,674 5.513,675 5.642,676 7.598,677 0.663,678 462.59,679 3.664,680 5.22,681 6.094,682 6.987,683 7.877,684 8.78,685 9.68,686 10.589,687 11.496,688 12.41,689 14.5,695 1,696 2,697 1,699 4,703 2,704 7,705 4,708 1,709 5,710 1,711 21,726 1,731 55,733 22,734 1,735 38,737 60,738 22,739 14,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 15,762 7,766 1,771 1,775 1,778 1,781 22,782 9,783 2,784 11,785 1,790 8,794 0.833,795 2,806 1,809 1,811 2,812 3,815 1,839 1,840 5,842 1,848 33,854 6,855 2,856 1,858 1,859 1,865 1,867 1,870 3.6,873 1,874 1,877 15.167,878 9.867,879 7.083,880 3.384,881 3.753,882 1.451,883 1.038,884 5.599,885 12.07,886 3.922,887 4.533,888 5.136,889 5.783,890 6.286,891 6.733,892 7.247,893 7.696,894 8.044,895 8.456,896 1,897 51,898 12.207,900 5.344,901 7.652,902 23.551,904 20.013,905 2.152,906 71,909 1,910 235.422,911 133.912,912 107.697,914 36.145,916 31.278,917 102.635,918 271.567,919 107.697,921 54.487,922 64.507,923 104.635,924 16.245,925 18.375,926 254.929,928 235.422,929 210.332,930 36.145,931 31.278,933 190.666,934 72.229,935 11,937 61.052,938 80.177,939 66.775,940 31.278,941 235.422,942 143.842,943 133.912,946 235.422,947 69.406,948 69.407,949 36.022,950 102.919,951 235.422,952 143.842,953 133.912,955 0.582,956 0.329,957 0.187,958 0.096,959 29,960 11,961 0.083,962 5,963 1,964 1.069,965 4.585,966 321.424,967 0.069,968 29,969 154.465,970 1,974 20.813,975 8.878,976 4.523,977 1.498,978 142.065,979 13.184,980 18.503,983 1.471,984 3.749,985 1.926,986 36.022,987 513.176,988 49.5,993 12.206,997 -0.281,999 55.731,1000 62.232,1001 0.301,1002 0.7,1003 0.838,1004 0.88,1005 0.88,1006 0.88,1007 5.172,1008 1.816,1009 6.071,1010 5.13,1011 4.691,1012 5.22,1013 2.109,1014 6.899,1015 4.571,1016 6.377,1017 1.486,1018 7.633,1019 5.069,1020 4.29,1021 5.027,1022 1.305,1023 7.847,1024 4.137,1025 7.687,1026 1.326,1027 9.297,1028 4.246,1029 6.308,1030 7.431,1031 2.545,1032 10.956,1033 6.079,1034 9.033,1035 1.15,1036 11.022,1037 3.419,1038 6.735,1039 8.118,1040 2.354,1041 12.748,1042 6.465,1043 10.414,1044 1.11,1045 12.788,1046 2.9,1047 8.214,1048 9.977,1049 3.285,1050 15.391,1051 7.882,1052 11.819,1053 1,1054 14.582,1055 2.492,1056 9.019,1057 11.088,1058 3.414,1059 17.538,1060 8.641,1061 13.245,1062 1,1063 16.398,1064 2.275,1065 10.288,1066 12.731,1067 4.168,1068 20.031,1069 9.853,1070 3.299,1071 0.73,1072 18.23,1073 2.136,1074 11.277,1075 14.056,1076 4.466,1077 22.337,1078 10.79,1079 2.894,1080 11.63,1081 20.074,1082 1.948,1083 12.466,1084 15.616,1085 5.115,1086 24.785,1087 11.925,1088 2.779,1089 9.662,1090 21.93,1091 4.639,1092 13.544,1093 17.045,1094 5.504,1095 27.164,1096 12.949,1097 2.652,1098 8.931,1099 23.795,1100 3.798,1101 14.708,1102 18.577,1103 6.092,1104 29.601,1105 14.058,1106 2.428,1107 7.646,1108 25.667,1109 3.511,1110 15.831,1111 20.057,1112 6.531,1113 32.014,1114 15.125,1115 2.354,1116 7.33,1117 27.546,1118 3.378,1119 16.992,1120 21.583,1121 7.084,1122 34.453,1123 16.23,1124 1.951,1125 6.936,1126 29.431,1127 3.148,1128 18.14,1129 23.088,1130 7.551,1131 36.883,1132 17.32,1133 15797,1134 26270,1135 26.641,1136 37.932,1137 57.99,1138 58.489,1139 57.605,1140 57.207,1141 57.279,1142 74.051,1143 7.126,1144 166.488,1145 53.815,1146 5.697,1147 5.562,1148 6.71,1149 5.347,1150 5.299,1151 7.639,1152 2.912,1153 19.198,1154 5.115,1155 7.698,1156 1.526,1157 1.539,1158 1.516,1159 1.505,1160 1.507,1161 1.949,1162 0.188,1163 4.381,1164 1.416,1165 4.139,1166 4.197,1167 4.217,1168 3.967,1169 7.431,1170 3.992,1171 3.92,1172 3.957,1173 4.113,1174 3.88,1175 5.221,1176 3.825,1177 3.844,1178 3.871,1179 3.846,1180 3.809,1181 4.791,1182 3.786,1183 3.795,1184 3.841,1185 3.695,1186 3.642,1187 4.691,1188 3.648,1189 3.66,1190 3.716,1191 3.551,1192 3.457,1193 4.628,1194 3.473,1195 3.4,1196 3.444,1197 3.376,1198 3.129,1199 4.512,1200 3.18,1201 3.13,1202 3.206,1203 3.096,1204 2.941,1205 4.206,1206 2.912,1207 3.111,1208 3.203,1209 2.866,1210 2.864,1211 3.992,1212 2.91,1213 0.124,1214 0.094,1215 0.182,1216 0.112,1217 0.087,1218 4.697,1219 0.122,1220 3.562,1221 0.044,1222 6.908,1223 0.306,1224 4.243,1225 0.082,1226 3.299,1227 4.639,1228 1.656,1229 11.63,1230 3.115,1231 1.945,1232 1.915,1233 2.025,1234 2.082,1235 1.216,1236 2.061,1237 1.781,1238 1.737,1239 1.929,1240 1.962,1241 1.106,1242 1.956,1243 1.599,1244 1.546,1245 1.715,1246 1.836,1247 0.937,1248 1.805,1249 1.517,1250 1.479,1251 1.668,1252 1.703,1253 0.825,1254 1.684,1255 1.385,1256 1.373,1257 1.513,1258 1.62,1259 0.825,1260 1.569,1261 1.303,1262 1.226,1263 1.513,1264 1.517,1265 0.715,1266 1.536,1267 1.153,1268 1.084,1269 1.461,1270 1.376,1271 0.678,1272 1.429,1273 1.153,1274 1.064,1275 1.406,1276 1.376,1277 0.581,1278 1.429,1279 4.344,1280 1.946,1281 5.68,1282 4.111,1283 7.207,1284 6.075,1285 8.822,1286 7.968,1287 10.488,1295 5.016,1296 5.661,1297 5.514,1299 0.365,1300 2.188,1305 36.475,1306 95.76,1307 222.708,1308 266.465,1309 279.975,1310 279.975,1311 279.975,1312 45.002,1313 8.318,1314 110.09,1315 138.33,1316 31,1317 12.924,1318 4.524,1319 3.644,1320 43.291,1321 147,1322 162,1323 0.139,1324 221.645,1325 369.09,1326 532.575,1327 50041,1329 22.2,1330 0.673,1331 0.563,1332 22.554,1333 18.586,1334 16.242,1335 0.427,1336 0.311,1337 10.802,1338 14.983,1339 10.597,1340 8.659,1341 16.696,1342 11.8,1343 14.708,1344 0.272,1345 0.166,1346 15.317,1347 8.989,1348 12.331,1349 0.171,1350 0.086,1351 12.948,1352 6.164,1353 10.86,1354 0.11,1355 0.044,1356 11.495,1357 4.37,1358 8.447,1359 0.068,1360 0.021,1361 8.725,1362 2.615,1363 0.22,1364 107.226,1365 0.194,1366 30.844,1367 0.376,1368 184,1369 546.868,1370 229.138,1371 544.887,1372 760.47,1373 514,1374 221,1375 566.794,1376 261.782,1377 578.983,1378 856.23,1379 547,1380 8.523}
{0 CHEMBL601445,1 1.571,2 12.722,3 2.634,4 6.938,5 134.669,6 7.126,7 0.39,8 4.352,9 4.481,10 3.895,11 3.822,12 5.35,13 3.814,14 4.962,15 5.148,16 4.29,17 4.259,18 5.927,19 4.228,20 5.245,21 5.472,22 4.334,23 4.413,24 6.143,25 4.346,26 5.274,27 5.532,28 4.274,29 4.406,30 6.175,31 4.319,32 5.193,33 5.44,34 4.293,35 4.398,36 6.099,37 4.318,38 5.166,39 5.392,40 4.32,41 4.403,42 6.098,43 4.339,44 5.167,45 5.384,46 4.322,47 4.409,48 6.097,49 4.339,50 5.219,51 5.457,52 4.211,53 4.438,54 6.103,55 4.326,56 0.059,57 1.086,58 15.572,59 6.021,60 11.143,61 8.502,62 0.477,63 1.766,64 31.484,65 10.354,66 37.954,67 14.965,68 0.615,69 2.148,70 43.709,71 13.064,72 53.977,73 19.862,74 0.711,75 2.195,76 45.717,77 13.01,78 64.347,79 20.45,80 0.498,81 2.088,82 41.178,83 12.863,84 52.284,85 20.069,86 0.521,87 2.118,88 39.403,89 11.84,90 51.247,91 18.402,92 0.559,93 2.112,94 39.141,95 12.063,96 45.272,97 18.677,98 0.579,99 2.116,100 41.818,101 14.381,102 59.313,103 21.315,104 16,105 59,106 0.246,107 0.572,108 0.751,109 0.8,110 0.818,111 0.818,112 3.616,113 0.943,114 -4.6,115 -4.52,116 -4.26,119 37.7,121 6,124 2,125 2,127 4,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 13,178 2,179 1,180 2,183 6,186 2,187 12,192 2,195 4,198 5,199 12,204 3,207 3,211 2,212 12,217 2,220 6,223 1,224 11,227 2,229 1,232 4,236 4,237 14,245 8,249 2,250 2,253 4,255 1,258 12,262 2,263 5,266 1,271 12,275 2486,276 24.961,277 24.961,278 24.961,279 24.961,280 24.961,281 23.073,282 31.81,283 14.419,284 25.666,285 20.156,286 20.156,287 20.156,288 20.156,289 20.156,290 17.091,291 39.59,292 6.77,293 21.217,294 4.537,295 2.465,296 1.323,297 1.007,298 0.891,299 0.891,300 4.335,305 1,306 1019,307 3.464,310 162.315,311 403.945,312 107.675,314 146.631,318 1.778,319 32.233,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 78.5,331 458,332 4.695,333 3.54,334 6.906,335 4.243,336 3.295,337 4.638,338 1.656,339 11.631,340 3.124,341 4.184,342 3.416,343 6.35,344 3.864,345 2.93,346 3.796,347 0.86,348 9.703,349 2.762,350 4.039,351 3.2,352 6.114,353 3.798,354 2.829,355 3.376,356 0.86,357 8.983,358 2.718,359 3.838,360 2.936,361 5.779,362 3.611,363 2.652,364 3.166,365 0.8,366 8.099,367 2.533,368 3.731,369 2.786,370 5.467,371 3.471,372 2.507,373 2.807,374 0.247,375 7.313,376 2.408,377 3.508,378 2.746,379 5.461,380 3.351,381 2.419,382 2.686,384 7.067,385 2.247,386 3.45,387 2.422,388 5.25,389 3.036,390 2.068,391 2.56,393 6.441,394 2.003,395 3.168,396 2.255,397 4.879,398 2.982,399 2.028,400 2.239,402 5.638,403 1.912,404 2.959,405 2.093,406 4.782,407 2.839,408 1.879,409 2.158,411 5.327,412 1.794,413 2.879,414 1.605,415 4.671,416 2.44,417 1.488,418 1.879,420 4.513,421 1.412,422 2.67,423 1.535,424 4.401,425 2.393,426 1.452,427 1.703,428 4.218,429 1.363,430 2.53,431 1.218,432 4.051,433 2.061,434 1.114,435 1.54,436 3.058,437 1.052,438 2.5,439 1.1,440 3.664,441 2,442 1,443 1.5,445 2.275,446 1,447 2.09,448 1.011,449 3.414,450 2,451 1,452 1,454 2.275,455 1,456 2,457 1,458 3.414,459 1.737,460 0.795,461 0.979,463 2.092,464 0.745,465 16.8,466 0.467,467 0.824,468 0.023,469 41.75,470 1.16,471 16.5,472 0.458,473 25.25,474 0.701,475 37.782,476 1.05,477 40.2,478 0.583,479 33.272,480 0.924,481 7.668,482 0.213,483 9.938,484 0.276,485 0.079,487 0.375,493 0.822,494 1.517,495 0.801,496 1.248,497 0.624,498 1.051,499 1.052,500 1.132,501 0.918,502 1.023,503 0.658,504 0.963,505 1.208,506 1.189,507 1.012,508 1.005,509 0.898,510 0.987,511 1.008,512 0.925,513 1.005,514 0.87,515 1.002,516 0.914,517 0.752,518 1.082,519 0.849,520 0.929,521 0.866,522 0.899,523 0.95,524 1.081,525 1.028,526 0.984,527 0.893,528 0.993,529 0.867,530 1.193,531 1.067,532 1.109,533 0.628,534 1.103,535 0.702,536 0.938,537 1.077,538 1.105,539 0.594,540 1.137,541 7.5,542 0.309,543 3.778,544 1.882,545 1.68,546 1.497,547 0.932,548 0.56,549 0.437,550 0.352,551 19559,552 46219,553 2.185,554 47.8,556 18,558 1,559 2,561 12,564 1.781,565 2.077,566 3.562,567 0.204,573 108.405,574 1.571,575 3.644,576 4.786,577 5.101,578 5.217,579 5.217,580 3.027,581 4.593,582 5.131,583 3.763,584 2370.88,585 9.065,586 36885.4,591 421.488,592 1.301,593 5.116,594 0.183,595 0.008,596 0.064,597 0.031,598 0.03,599 0.025,600 0.016,601 0.009,602 0.008,603 0.007,604 0.383,605 0.17,606 0.75,607 0.961,608 194.203,609 0.001,610 -0.222,611 0.087,612 -0.102,613 0.01,614 -0.01,615 0.037,616 0.019,617 0.043,618 0.016,619 0.098,620 0.022,621 -0.12,622 -0.151,623 -0.026,624 -0.01,625 -0.012,626 -0.01,627 -0.083,628 0.114,629 -0.02,630 0.077,631 -0.053,632 0.045,633 0.019,634 -0.035,635 0.105,636 0.077,637 -0.018,638 0.103,639 -0.091,640 0.05,641 -0.073,642 0.006,643 -0.101,644 -0.02,645 -0.001,646 -0.057,647 -0.119,648 -0.102,649 -0.027,650 -0.122,651 0.03,652 0.13,653 -0.14,654 -0.075,655 0.048,656 -0.124,657 1.92,658 4.678,659 0.806,660 44.062,661 1.003,662 1.138,663 3.374,664 11.381,665 0.642,666 3.738,667 4.094,668 4.419,669 4.736,670 5.024,671 5.236,672 5.476,673 5.687,674 5.897,675 6.1,676 7.387,677 0.611,678 491.66,679 3.738,680 5.303,681 6.18,682 7.079,683 7.974,684 8.882,685 9.787,686 10.702,687 11.614,688 12.532,689 10.1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 69,733 17,734 1,735 41,737 74,738 26,739 11,740 2,741 4,746 6,747 8,751 1,755 10,758 10,761 12,762 14,766 1,771 1,775 1,781 33,782 9,783 2,784 10,790 7,794 0.667,795 3,801 1,803 1,806 1,811 2,812 4,813 1,815 1,839 2,840 4,844 2,848 36,854 8,855 2,856 2,858 4,859 1,870 4.3,873 1,874 2,877 17.333,878 12.75,879 7.833,880 4.396,881 3.054,882 1.348,883 0.997,884 6.652,885 11.827,886 3.932,887 4.508,888 5.104,889 5.724,890 6.3,891 6.766,892 7.297,893 7.787,894 8.176,895 8.608,896 0.889,897 60,898 13.384,900 5.831,901 7.583,902 26.226,904 22.64,905 2.083,906 75,910 364.904,911 104.813,912 91.156,914 47.145,917 104.813,918 412.049,919 91.156,920 19.279,921 55.44,922 37.905,923 110.865,924 24.792,925 6.604,926 353.133,928 364.904,929 195.969,930 47.145,933 225.979,934 166.398,935 22,937 67.979,938 75.428,939 50.234,941 364.904,942 138.301,943 104.813,946 364.904,947 38.581,948 71.133,949 36.022,950 97.379,951 364.904,952 138.301,953 104.813,955 0.585,956 0.348,957 0.186,958 0.103,959 31,960 13,961 0.068,962 5,963 3,964 1.172,965 4.619,966 372.262,967 0.207,968 28,969 172.117,974 23.805,975 10.06,976 4.764,977 1.87,978 136.525,979 9.574,980 14.936,984 3.2,985 2.104,986 36.022,987 608.018,988 50,993 11.678,997 -0.253,999 69.181,1000 78.514,1001 0.257,1002 0.596,1003 0.783,1004 0.835,1005 0.854,1006 0.854,1007 5.209,1008 2.028,1009 6.172,1010 6.441,1011 4.779,1012 5.196,1013 2.274,1014 7.009,1015 4.68,1016 6.392,1017 1.879,1018 7.742,1019 5.638,1020 4.369,1021 5.017,1022 1.305,1023 7.928,1024 4.217,1025 7.698,1026 1.488,1027 9.407,1028 5.327,1029 6.402,1030 7.357,1031 2.627,1032 11.047,1033 6.202,1034 9.036,1035 1.452,1036 11.128,1037 4.513,1038 6.815,1039 8.064,1040 2.354,1041 12.804,1042 6.554,1043 10.41,1044 1.114,1045 12.886,1046 4.218,1047 8.297,1048 9.895,1049 3.315,1050 15.448,1051 7.995,1052 11.809,1053 1,1054 14.671,1055 3.058,1056 9.091,1057 11.027,1058 3.414,1059 17.576,1060 8.726,1061 13.228,1062 1,1063 16.477,1064 2.275,1065 10.36,1066 12.665,1067 4.177,1068 20.067,1069 9.952,1070 3.295,1071 0.795,1072 18.299,1073 2.275,1074 11.34,1075 14.005,1076 4.466,1077 22.363,1078 10.87,1079 2.93,1080 11.631,1081 20.135,1082 2.092,1083 12.527,1084 15.568,1085 5.117,1086 24.808,1087 12.012,1088 2.829,1089 9.703,1090 21.982,1091 4.638,1092 13.598,1093 17.008,1094 5.504,1095 27.181,1096 13.023,1097 2.652,1098 8.983,1099 23.839,1100 3.796,1101 14.759,1102 18.545,1103 6.093,1104 29.616,1105 14.135,1106 2.507,1107 8.099,1108 25.705,1109 3.376,1110 15.877,1111 20.032,1112 6.531,1113 32.026,1114 15.195,1115 2.419,1116 7.313,1117 27.578,1118 3.166,1119 17.034,1120 21.562,1121 7.084,1122 34.463,1123 16.301,1124 2.068,1125 7.067,1126 29.458,1127 2.807,1128 18.176,1129 23.071,1130 7.551,1131 36.891,1132 17.387,1133 18120,1134 28001,1135 28.145,1136 44.302,1137 62.192,1138 63.732,1139 63.735,1140 61.872,1141 61.944,1142 75.231,1143 8.846,1144 183.242,1145 58.868,1146 5.695,1147 5.54,1148 6.457,1149 5.35,1150 5.295,1151 7.638,1152 2.912,1153 19.199,1154 5.124,1155 14.871,1156 1.517,1157 1.554,1158 1.555,1159 1.509,1160 1.511,1161 1.835,1162 0.216,1163 4.469,1164 1.436,1165 4.147,1166 4.197,1167 4.12,1168 3.991,1169 7.431,1170 4.015,1171 3.905,1172 3.952,1173 3.845,1174 3.812,1175 5.136,1176 3.815,1177 3.902,1178 3.937,1179 3.802,1180 3.74,1181 4.753,1182 3.745,1183 3.799,1184 3.845,1185 3.69,1186 3.663,1187 4.67,1188 3.665,1189 3.548,1190 3.616,1191 3.47,1192 3.255,1193 4.642,1194 3.3,1195 3.364,1196 3.431,1197 3.272,1198 3.111,1199 4.481,1200 3.138,1201 3.223,1202 3.304,1203 3.064,1204 2.977,1205 4.205,1206 2.988,1207 3.168,1208 3.25,1209 3.041,1210 2.966,1211 4.066,1212 2.97,1213 0.115,1214 0.086,1215 0.168,1216 0.103,1217 0.08,1218 4.695,1219 0.113,1220 3.54,1221 0.04,1222 6.906,1223 0.284,1224 4.243,1225 0.076,1226 3.295,1227 4.638,1228 1.656,1229 11.631,1230 3.124,1231 1.957,1232 1.925,1233 2.082,1234 2.101,1235 1.476,1236 2.088,1237 1.874,1238 1.828,1239 2.021,1240 2.024,1241 1.255,1242 2.029,1243 1.777,1244 1.737,1245 1.898,1246 1.947,1247 1.221,1248 1.937,1249 1.604,1250 1.543,1251 1.86,1252 1.796,1253 1.106,1254 1.798,1255 1.569,1256 1.525,1257 1.716,1258 1.76,1259 0.909,1260 1.772,1261 1.423,1262 1.349,1263 1.685,1264 1.719,1265 0.825,1266 1.709,1267 1.346,1268 1.28,1269 1.603,1270 1.638,1271 0.765,1272 1.618,1273 1.157,1274 1.078,1275 1.513,1276 1.463,1277 0.688,1278 1.467,1279 4.419,1281 5.765,1282 3.045,1283 7.305,1284 5.416,1285 8.93,1286 7.516,1287 10.606,1289 3.391,1295 7.966,1296 5.367,1297 11.676,1299 1.136,1300 2.356,1305 42.143,1306 108.405,1307 251.402,1308 330.204,1309 351.978,1310 359.978,1311 359.978,1312 57.326,1313 8.773,1314 106.43,1315 106.43,1316 34,1317 13.043,1318 4.17,1319 3.322,1320 48.721,1321 157,1322 194,1323 0.151,1324 251.941,1325 433.75,1326 606.495,1327 79547,1329 24.648,1330 0.685,1331 0.578,1332 24.648,1333 20.814,1334 17.606,1335 0.429,1336 0.314,1337 12.658,1338 16.746,1339 12.415,1340 10.186,1341 17.606,1342 12.886,1343 15.96,1344 0.271,1345 0.17,1346 15.96,1347 10.007,1348 14.225,1349 0.173,1350 0.094,1351 14.225,1352 7.728,1353 12.059,1354 0.107,1355 0.051,1356 12.059,1357 5.758,1358 10.048,1359 0.067,1360 0.028,1361 10.048,1362 4.168,1363 0.234,1364 111.494,1365 0.188,1366 32.598,1367 0.424,1368 200,1369 550.098,1370 224.065,1371 519.704,1372 725.3,1373 492,1374 241,1375 549.006,1376 266.374,1377 547.914,1378 813.04,1379 517,1380 6.152}
{0 CHEMBL601462,1 1.647,2 13.441,3 1.963,4 3.851,5 124.678,6 8.027,7 0.564,8 4.193,9 4.319,10 3.836,11 3.679,12 5.311,13 3.698,14 4.716,15 4.89,16 4.163,17 4.034,18 5.821,19 4.032,20 4.915,21 5.135,22 4.206,23 4.13,24 5.973,25 4.11,26 4.902,27 5.124,28 4.198,29 4.12,30 5.994,31 4.098,32 4.892,33 5.104,34 4.175,35 4.111,36 6.033,37 4.096,38 4.863,39 5.059,40 4.175,41 4.129,42 5.95,43 4.112,44 4.887,45 5.09,46 4.085,47 4.174,48 5.907,49 4.117,50 4.942,51 5.171,52 3.925,53 4.182,54 5.877,55 4.05,56 0.131,57 0.977,58 10.43,59 4.437,60 9.858,61 5.722,62 0.481,63 1.49,64 20.843,65 7.162,66 31.666,67 9.643,68 0.648,69 1.698,70 28.74,71 8.535,72 46.459,73 12.111,74 0.505,75 1.7,76 27.572,77 8.385,78 43.275,79 12.159,80 0.63,81 1.642,82 27.567,83 7.864,84 63.447,85 11.074,86 0.551,87 1.661,88 25.229,89 7.614,90 42.885,91 10.477,92 0.582,93 1.663,94 25.923,95 8.536,96 41.232,97 11.803,98 0.439,99 1.616,100 29.125,101 12.049,102 48.75,103 16.85,104 2,105 55,106 0.265,107 0.639,108 0.775,109 0.819,110 0.832,111 0.832,112 3.561,113 0.868,114 -4.11,115 -4.06,116 -3.84,119 40.4,121 2,125 4,127 1,142 6,143 1,144 2,145 2,146 1,147 1,149 1,159 1,161 1,166 2,172 6,174 4,175 5,178 2,179 1,180 3,183 4,186 5,187 7,190 1,192 3,195 2,198 5,199 13,204 4,211 2,212 9,215 1,217 3,223 1,224 13,227 2,229 1,232 4,236 3,237 7,245 8,249 2,250 4,253 4,258 7,263 5,266 2,271 1,275 2210,276 23.739,277 23.739,278 23.739,279 23.739,280 23.739,281 21.1,282 28.502,283 14.131,284 24.371,285 19.334,286 19.334,287 19.334,288 19.334,289 19.334,290 15.275,291 38.192,292 6.797,293 20.356,294 4.186,295 1.866,296 1.022,297 0.75,298 0.667,299 0.667,300 4.276,304 1,305 1,306 1041,307 3.162,308 56.264,310 83.998,311 427.302,314 147.756,318 2.095,319 31.067,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 74.5,331 457,332 4.697,333 3.562,334 6.908,335 4.243,336 3.299,337 4.639,338 1.656,339 11.63,340 3.115,341 4.191,342 3.388,343 6.349,344 3.851,345 2.894,346 3.798,347 0.86,348 9.662,349 2.782,350 4.024,351 3.065,352 6.107,353 3.74,354 2.779,355 3.48,356 0.8,357 8.931,358 2.663,359 3.962,360 2.826,361 5.623,362 3.604,363 2.643,364 3.377,365 0.247,366 7.637,367 2.533,368 3.757,369 2.571,370 5.567,371 3.376,372 2.421,373 3.148,375 7.33,376 2.312,377 3.509,378 2.526,379 5.323,380 3.31,381 2.352,382 2.657,384 6.92,385 2.239,386 3.401,387 2.374,388 4.838,389 2.943,390 1.953,391 2.597,393 5.115,394 1.92,395 3.013,396 2.208,397 4.676,398 2.74,399 1.817,400 2.177,402 5.069,403 1.674,404 2.965,405 1.638,406 4.405,407 2.45,408 1.5,409 2.078,411 4.245,412 1.42,413 2.842,414 1.535,415 4.186,416 2.339,417 1.374,418 1.972,420 3.419,421 1.321,422 2.602,423 1.519,424 3.761,425 2.229,426 1.326,427 1.642,428 2.995,429 1.193,430 2.5,431 1.256,432 3.569,433 2.073,434 1.128,435 1.5,436 2.892,437 1.057,438 2.5,439 1.175,440 3.427,441 2,442 1,443 1.5,445 2.275,446 1,447 2.44,448 1,449 3.414,450 1.956,451 1,452 1.431,454 2.136,455 0.953,456 2.041,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.767,466 0.464,467 0.688,468 0.02,469 47.25,470 1.39,471 23,472 0.676,473 24.25,474 0.713,475 26.692,476 0.785,477 35.833,478 0.629,479 36.158,480 1.063,481 9.168,482 0.27,483 7.574,484 0.223,485 0.021,487 0.336,493 0.791,494 1.41,495 0.694,496 1.126,497 0.578,498 0.927,499 0.966,500 1.205,501 0.899,502 1.049,503 0.641,504 0.982,505 1.092,506 1.012,507 0.918,508 0.848,509 0.951,510 0.849,511 0.915,512 1.121,513 0.903,514 0.995,515 0.926,516 0.94,517 1.274,518 1.027,519 1.031,520 0.868,521 1.55,522 0.885,523 1.254,524 1.1,525 1.129,526 0.988,527 1.208,528 1.011,529 1.036,530 0.963,531 1.246,532 1.05,533 0.823,534 1.147,535 0.409,536 1.025,537 1.074,538 1.396,539 0.455,540 1.383,541 5.5,542 0.149,543 2.944,544 1.722,545 1.409,546 1.246,547 0.802,548 0.288,549 0.257,550 0.238,551 19155,552 50836,553 2.234,554 40.4,556 15,558 2,559 2,561 4,564 1.759,565 2.17,566 3.633,567 0.264,569 1,573 93.862,574 1.647,575 3.967,576 4.811,577 5.083,578 5.166,579 5.166,580 3.031,581 4.676,582 5.055,583 3.867,584 2169.19,585 8.864,586 33603.2,591 332.475,592 1.083,593 5.051,594 0.141,595 0.006,596 0.057,597 0.032,598 0.027,599 0.024,600 0.015,601 0.006,602 0.007,603 0.009,604 0.323,605 0.33,606 0.75,607 0.299,608 183.076,609 0.003,610 -0.195,611 0.077,612 -0.1,613 0.018,614 -0.017,615 0.059,616 -0.092,617 -0.011,618 -0.077,619 0.086,620 -0.072,621 -0.054,622 0.018,623 0.052,624 0.101,625 -0.03,626 0.093,627 -0.021,628 -0.07,629 0.046,630 -0.047,631 0.017,632 0.006,633 -0.17,634 0.021,635 -0.07,636 0.069,637 -0.135,638 0.034,639 -0.223,640 0.001,641 -0.214,642 -0.049,643 -0.165,644 -0.11,645 -0.157,646 0.12,647 -0.344,648 -0.074,649 -0.134,650 -0.205,651 0.212,652 -0.085,653 -0.138,654 -0.306,655 0.146,656 -0.299,657 2.007,658 5.273,659 0.882,660 40.353,661 1.013,662 1.137,663 2.885,664 8.323,665 0.672,666 3.689,667 4.025,668 4.304,669 4.615,670 4.875,671 5.017,672 5.242,673 5.407,674 5.521,675 5.656,676 7.88,677 0.655,678 457.55,679 3.689,680 5.242,681 6.111,682 7.002,683 7.889,684 8.79,685 9.688,686 10.596,687 11.501,688 12.414,689 15.8,695 1,696 2,697 1,699 5,703 2,704 8,705 5,709 5,710 1,711 22,726 1,731 57,733 23,734 1,735 39,737 62,738 23,739 15,740 2,741 4,746 6,747 7,751 1,755 3,758 3,761 16,762 7,766 1,771 1,775 1,778 1,781 23,782 10,783 2,784 11,790 9,794 0.833,795 2,805 1,806 1,809 1,811 1,812 4,815 1,839 1,840 5,848 34,854 6,855 2,856 1,858 1,859 1,867 1,870 3.5,873 1,874 1,877 15.667,878 10.233,879 7.333,880 3.504,881 4.004,882 1.477,883 1.03,884 5.632,885 12.407,886 3.951,887 4.557,888 5.155,889 5.798,890 6.367,891 6.751,892 7.257,893 7.716,894 8.049,895 8.465,896 0.889,897 54,898 12.556,900 5.469,901 7.681,902 24.097,904 20.282,905 2.181,906 74.167,910 247.193,911 114.908,912 124.482,914 36.145,917 114.908,918 283.338,919 124.482,921 54.487,922 56.857,923 144.962,924 36.167,925 6.604,926 223.651,928 247.193,929 239.39,930 36.145,933 202.437,934 72.229,935 11,937 78.218,938 75.285,939 83.56,941 247.193,942 160.627,943 114.908,946 247.193,947 39.955,948 79.853,949 36.022,950 119.705,951 247.193,952 160.627,953 114.908,955 0.58,956 0.327,957 0.185,958 0.101,959 29,960 11,961 0.081,962 5,963 1,964 1.067,965 4.668,966 332.523,967 0.067,968 30,969 162.974,974 21.116,975 9.069,976 4.645,977 1.481,978 158.851,979 14.23,980 22.488,984 3.509,985 1.92,986 36.022,987 522.728,988 51,993 12.273,997 -0.34,999 57.756,1000 64.81,1001 0.282,1002 0.68,1003 0.825,1004 0.871,1005 0.886,1006 0.886,1007 5.196,1008 1.817,1009 6.084,1010 5.115,1011 4.71,1012 5.244,1013 2.109,1014 6.907,1015 4.612,1016 6.397,1017 1.5,1018 7.643,1019 5.069,1020 4.29,1021 5.027,1022 1.305,1023 7.847,1024 4.163,1025 7.704,1026 1.374,1027 9.303,1028 4.245,1029 6.319,1030 7.449,1031 2.545,1032 10.958,1033 6.124,1034 9.046,1035 1.326,1036 11.026,1037 3.419,1038 6.723,1039 8.095,1040 2.354,1041 12.746,1042 6.49,1043 10.423,1044 1.128,1045 12.79,1046 2.995,1047 8.219,1048 9.989,1049 3.285,1050 15.391,1051 7.926,1052 11.825,1053 1,1054 14.583,1055 2.892,1056 9.009,1057 11.067,1058 3.414,1059 17.537,1060 8.669,1061 13.247,1062 1,1063 16.398,1064 2.275,1065 10.289,1066 12.738,1067 4.168,1068 20.031,1069 9.893,1070 3.299,1071 1,1072 18.229,1073 2.136,1074 11.269,1075 14.041,1076 4.466,1077 22.337,1078 10.818,1079 2.894,1080 11.63,1081 20.074,1082 2.136,1083 12.465,1084 15.619,1085 5.115,1086 24.785,1087 11.957,1088 2.779,1089 9.662,1090 21.929,1091 4.639,1092 13.539,1093 17.036,1094 5.504,1095 27.163,1096 12.973,1097 2.643,1098 8.931,1099 23.794,1100 3.798,1101 14.706,1102 18.577,1103 6.092,1104 29.601,1105 14.084,1106 2.421,1107 7.637,1108 25.666,1109 3.48,1110 15.828,1111 20.052,1112 6.531,1113 32.014,1114 15.145,1115 2.352,1116 7.33,1117 27.545,1118 3.377,1119 16.99,1120 21.582,1121 7.084,1122 34.453,1123 16.249,1124 1.953,1125 6.92,1126 29.43,1127 3.148,1128 18.138,1129 23.085,1130 7.551,1131 36.883,1132 17.336,1133 17286,1134 28334,1135 27.334,1136 38.29,1137 59.123,1138 60.048,1139 59.254,1140 58.553,1141 58.604,1142 76.06,1143 7.126,1144 169.146,1145 55.765,1146 5.697,1147 5.562,1148 6.71,1149 5.347,1150 5.299,1151 7.639,1152 2.912,1153 19.198,1154 5.115,1155 7.814,1156 1.516,1157 1.54,1158 1.519,1159 1.501,1160 1.503,1161 1.95,1162 0.183,1163 4.337,1164 1.43,1165 4.139,1166 4.197,1167 4.117,1168 3.965,1169 7.431,1170 3.992,1171 3.922,1172 3.965,1173 3.866,1174 3.814,1175 5.222,1176 3.819,1177 3.857,1178 3.902,1179 3.795,1180 3.741,1181 4.909,1182 3.749,1183 3.796,1184 3.849,1185 3.694,1186 3.642,1187 4.786,1188 3.647,1189 3.661,1190 3.717,1191 3.548,1192 3.456,1193 4.628,1194 3.473,1195 3.416,1196 3.464,1197 3.369,1198 3.14,1199 4.515,1200 3.192,1201 3.138,1202 3.212,1203 3.101,1204 2.941,1205 4.206,1206 2.931,1207 3.111,1208 3.206,1209 2.866,1210 2.893,1211 4.04,1212 2.91,1213 0.12,1214 0.091,1215 0.177,1216 0.109,1217 0.085,1218 4.697,1219 0.119,1220 3.562,1221 0.042,1222 6.908,1223 0.298,1224 4.243,1225 0.08,1226 3.299,1227 4.639,1228 1.656,1229 11.63,1230 3.115,1231 1.946,1232 1.915,1233 2.026,1234 2.083,1235 1.216,1236 2.062,1237 1.823,1238 1.782,1239 1.937,1240 1.991,1241 1.107,1242 1.976,1243 1.777,1244 1.733,1245 1.924,1246 1.941,1247 0.946,1248 1.941,1249 1.597,1250 1.544,1251 1.713,1252 1.827,1253 0.935,1254 1.799,1255 1.31,1256 1.238,1257 1.513,1258 1.63,1259 0.825,1260 1.572,1261 1.249,1262 1.197,1263 1.513,1264 1.553,1265 0.825,1266 1.504,1267 1.153,1268 1.064,1269 1.46,1270 1.376,1271 0.679,1272 1.429,1273 1.153,1274 1.064,1275 1.377,1276 1.376,1277 0.347,1278 1.429,1279 4.369,1280 1.946,1281 5.7,1282 3.932,1283 7.231,1284 5.861,1285 8.848,1286 7.769,1287 10.515,1295 4.976,1296 5.576,1297 5.514,1299 0.357,1300 2.182,1305 37.31,1306 93.862,1307 226.104,1308 274.21,1309 289.72,1310 294.475,1311 294.475,1312 46.934,1313 8.403,1314 122.98,1315 122.98,1316 32,1317 12.929,1318 4.585,1319 3.7,1320 45.229,1321 158,1322 182,1323 0.135,1324 223.974,1325 376.24,1326 538.256,1327 56753,1329 22.907,1330 0.674,1331 0.541,1332 22.907,1333 18.386,1334 16.742,1335 0.429,1336 0.289,1337 11.073,1338 15.898,1339 10.95,1340 8.968,1341 16.742,1342 11.286,1343 15.061,1344 0.274,1345 0.151,1346 15.061,1347 8.306,1348 12.581,1349 0.172,1350 0.076,1351 12.581,1352 5.54,1353 11.037,1354 0.11,1355 0.039,1356 11.037,1357 3.864,1358 9.059,1359 0.07,1360 0.02,1361 9.059,1362 2.586,1363 0.216,1364 106.185,1365 0.191,1366 31.682,1367 0.364,1368 188,1369 565.653,1370 211.687,1371 543.099,1372 758.29,1373 512,1374 225,1375 580.507,1376 250.606,1377 579.482,1378 854.3,1379 547,1380 7.979}
{0 CHEMBL601660,1 1.593,2 12.921,3 2.135,4 4.558,5 141.109,6 7.146,7 0.372,8 4.408,9 4.534,10 3.951,11 3.858,12 5.421,13 3.856,14 5.021,15 5.203,16 4.363,17 4.288,18 6.007,19 4.271,20 5.29,21 5.5,22 4.431,23 4.46,24 6.223,25 4.413,26 5.367,27 5.606,28 4.357,29 4.494,30 6.289,31 4.414,32 5.335,33 5.592,34 4.346,35 4.502,36 6.207,37 4.401,38 5.296,39 5.547,40 4.376,41 4.466,42 6.189,43 4.391,44 5.219,45 5.434,46 4.404,47 4.444,48 6.172,49 4.388,50 5.274,51 5.506,52 4.301,53 4.492,54 6.184,55 4.392,56 0.079,57 1.128,58 16.512,59 6.367,60 13.241,61 8.927,62 0.664,63 1.813,64 33.835,65 10.747,66 45.813,67 15.454,68 0.737,69 2.22,70 45.65,71 13.401,72 60.56,73 20.059,74 0.937,75 2.354,76 50.288,77 14.204,78 76.032,79 21.74,80 0.649,81 2.311,82 48.001,83 15.158,84 61.193,85 23.724,86 0.686,87 2.271,88 46.103,89 13.522,90 61.568,91 21.442,92 0.677,93 2.194,94 41.434,95 12.306,96 50.272,97 19.258,98 0.662,99 2.23,100 44.128,101 14.834,102 64.376,103 22.022,104 28,105 63,106 0.247,107 0.568,108 0.75,109 0.799,110 0.799,111 0.799,112 3.668,113 0.932,114 -4.49,115 -4.41,116 -4.16,119 37,121 6,124 3,125 2,127 3,131 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 4,175 15,178 2,179 1,180 2,183 6,186 2,187 14,192 2,195 4,198 5,199 12,204 3,207 3,211 3,212 12,217 2,220 6,223 2,224 11,227 2,229 1,232 4,236 5,237 15,245 8,249 2,250 2,253 4,255 1,258 12,262 4,263 6,266 1,271 12,275 2976,276 26.229,277 26.229,278 26.229,279 26.229,280 26.229,281 24.341,282 32.703,283 14.785,284 26.781,285 20.969,286 20.969,287 20.969,288 20.969,289 20.969,290 17.904,291 40.072,292 6.775,293 21.904,294 4.597,295 2.527,296 1.36,297 1.045,298 1.045,299 1.045,300 4.383,306 1083,307 3.937,310 174.755,311 434.971,312 115.828,314 158.51,318 1.873,319 36.859,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 83.5,331 491,332 4.695,333 3.801,334 7.187,335 4.338,336 3.353,337 4.638,338 1.656,339 12.508,340 3.312,341 4.336,342 3.54,343 6.904,344 4.228,345 3.273,346 3.796,347 1.392,348 11.625,349 3.114,350 4.179,351 3.413,352 6.346,353 3.844,354 2.913,355 3.399,356 0.86,357 9.687,358 2.747,359 4.026,360 3.192,361 6.114,362 3.793,363 2.82,364 3.302,365 0.8,366 8.983,367 2.703,368 3.836,369 2.888,370 5.771,371 3.555,372 2.603,373 3.165,374 0.532,375 8.075,376 2.471,377 3.706,378 2.767,379 5.465,380 3.453,381 2.491,382 2.795,383 0.247,384 7.313,385 2.389,386 3.45,387 2.425,388 5.418,389 3.069,390 2.123,391 2.685,393 6.758,394 2.006,395 3.262,396 2.277,397 4.879,398 3.027,399 2.043,400 2.356,402 5.638,403 1.991,404 2.96,405 2.093,406 4.783,407 2.839,408 1.879,409 2.16,411 5.327,412 1.794,413 2.879,414 1.609,415 4.693,416 2.44,417 1.488,418 1.879,420 4.568,421 1.412,422 2.686,423 1.535,424 4.402,425 2.423,426 1.474,427 1.717,428 4.227,429 1.395,430 2.554,431 1.478,432 4.09,433 2.075,434 1.125,435 1.574,436 3.117,437 1.066,438 2.5,439 1.195,440 3.802,441 2,442 1,443 1.5,445 2.372,446 1,447 2.103,448 1.1,449 3.664,450 2,451 1,452 1,454 2.275,455 1,456 2,457 1,458 3.454,459 1.749,460 0.802,461 0.994,463 2.114,464 0.756,465 17.633,466 0.464,467 0.927,468 0.024,469 43.25,470 1.138,471 16.5,472 0.434,473 26.75,474 0.704,475 41.652,476 1.096,477 42.967,478 0.589,479 36.29,480 0.955,481 8.133,482 0.214,483 10.369,484 0.273,485 0.104,486 0.028,487 0.329,493 0.838,494 1.557,495 0.799,496 1.296,497 0.659,498 1.073,499 1.07,500 1.096,501 0.885,502 0.972,503 0.696,504 0.909,505 1.313,506 1.21,507 1.037,508 1.017,509 0.963,510 0.989,511 1.221,512 0.955,513 1.138,514 0.918,515 1.111,516 0.994,517 0.622,518 1.085,519 0.854,520 0.981,521 0.786,522 0.956,523 0.769,524 1.009,525 0.896,526 0.907,527 0.763,528 0.902,529 0.84,530 1.185,531 1.017,532 1.07,533 0.603,534 1.054,535 0.737,536 0.961,537 1.077,538 1.101,539 0.637,540 1.131,541 9,542 0.388,543 4.444,544 2.194,545 1.911,546 1.671,547 1.055,548 0.663,549 0.555,550 0.458,551 22297,552 54849,553 2.152,554 47.9,556 20,558 1,559 2,561 8,562 4,564 1.794,565 2.027,566 3.596,567 0.201,573 116.299,574 1.593,575 3.663,576 4.83,577 5.145,578 5.145,579 5.145,580 3.06,581 4.596,582 5.21,583 3.816,584 2682.66,585 9.222,586 43509.7,591 451.857,592 1.478,593 5.181,594 0.209,595 0.008,596 0.071,597 0.033,598 0.032,599 0.027,600 0.017,601 0.01,602 0.01,603 0.009,604 0.426,605 0.17,606 0.63,607 1.045,608 208.582,609 -0.01,610 -0.248,611 0.088,612 -0.129,613 -0.007,614 -0.022,615 0.074,616 0.049,617 0.087,618 0.067,619 0.107,620 0.074,621 -0.163,622 -0.148,623 -0.047,624 -0.012,625 -0.033,626 -0.015,627 -0.182,628 0.097,629 -0.148,630 0.043,631 -0.132,632 -0.036,633 0.059,634 -0.06,635 0.09,636 0.035,637 -0.008,638 0.062,640 0.062,641 0.062,642 0.074,643 -0.022,644 0.084,645 0.017,646 -0.033,647 -0.067,648 -0.065,649 0.011,650 -0.074,651 -0.002,652 0.136,653 -0.143,654 -0.065,655 0.027,656 -0.117,657 1.929,658 4.709,659 0.763,660 48.017,661 1.005,662 1.139,663 3.257,664 10.61,665 0.637,666 3.784,667 4.159,668 4.489,669 4.779,670 5.063,671 5.288,672 5.525,673 5.733,674 5.956,675 6.17,676 7.677,677 0.608,678 521.69,679 3.784,680 5.361,681 6.244,682 7.151,683 8.05,684 8.963,685 9.87,686 10.788,687 11.701,688 12.622,689 9.6,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 73,733 17,734 1,735 43,737 78,738 27,739 11,740 2,741 4,746 6,747 8,751 1,755 10,758 10,761 12,762 15,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 7,794 0.667,795 4,801 1,803 1,806 1,811 2,812 4,813 1,815 1,839 3,840 4,844 3,848 38,854 8,855 2,856 3,858 3,859 1,860 1,870 5.5,873 1,874 3,877 18.75,878 13.833,879 8.333,880 4.507,881 3.037,882 1.341,883 0.979,884 7.098,885 11.938,886 3.97,887 4.551,888 5.139,889 5.74,890 6.311,891 6.779,892 7.312,893 7.804,894 8.202,895 8.638,896 0.889,897 66,898 14.127,900 6.147,901 7.616,902 27.496,904 23.557,905 2.116,906 80.417,910 388.446,911 115.696,912 91.156,914 58.145,917 115.696,918 446.591,919 91.156,920 30.162,921 55.44,922 37.905,923 121.865,924 24.792,925 6.604,926 376.675,928 388.446,929 206.852,930 58.145,933 249.521,934 166.398,935 33,937 67.979,938 86.311,939 50.234,941 388.446,942 149.301,943 115.696,946 388.446,947 38.581,948 82.016,949 36.022,950 108.379,951 388.446,952 149.301,953 115.696,955 0.589,956 0.359,957 0.185,958 0.098,959 33,960 14,961 0.077,962 6,963 3,964 1.172,965 4.706,966 401.448,967 0.207,968 28,969 181.421,974 25.656,975 10.513,976 4.952,977 1.798,978 147.524,979 9.509,980 14.954,984 3.119,985 2.065,986 36.022,987 653.443,988 52,993 11.709,997 -0.262,999 73.392,1000 83.139,1001 0.257,1002 0.592,1003 0.78,1004 0.831,1005 0.831,1006 0.831,1007 5.263,1008 2.043,1009 6.263,1010 6.758,1011 4.844,1012 5.239,1013 2.54,1014 7.141,1015 4.757,1016 6.463,1017 1.879,1018 7.867,1019 5.638,1020 4.575,1021 5.13,1022 1.305,1023 8.33,1024 4.466,1025 7.79,1026 1.488,1027 9.573,1028 5.327,1029 6.544,1030 7.414,1031 3.016,1032 11.369,1033 6.381,1034 9.151,1035 1.474,1036 11.341,1037 4.568,1038 7.099,1039 8.154,1040 2.354,1041 13.376,1042 6.916,1043 10.545,1044 1.125,1045 13.151,1046 4.227,1047 8.545,1048 9.95,1049 3.72,1050 15.999,1051 8.32,1052 11.961,1053 1,1054 14.991,1055 3.117,1056 9.451,1057 11.087,1058 3.414,1059 18.311,1060 9.205,1061 13.394,1062 1,1063 16.852,1064 2.372,1065 10.715,1066 12.706,1067 4.529,1068 20.829,1069 10.437,1070 3.353,1071 0.802,1072 18.731,1073 2.275,1074 11.775,1075 14.042,1076 4.466,1077 23.254,1078 11.476,1079 3.273,1080 12.508,1081 20.622,1082 2.114,1083 12.976,1084 15.595,1085 5.398,1086 25.751,1087 12.652,1088 2.913,1089 11.625,1090 22.525,1091 4.638,1092 14.104,1093 17.03,1094 5.504,1095 28.221,1096 13.76,1097 2.82,1098 9.687,1099 24.436,1100 3.796,1101 15.288,1102 18.561,1103 6.306,1104 30.717,1105 14.923,1106 2.603,1107 8.983,1108 26.354,1109 3.399,1110 16.447,1111 20.044,1112 6.531,1113 33.206,1114 16.063,1115 2.491,1116 8.075,1117 28.278,1118 3.302,1119 17.628,1120 21.57,1121 7.242,1122 35.706,1123 17.226,1124 2.123,1125 7.313,1126 30.208,1127 3.165,1128 18.803,1129 23.078,1130 7.551,1131 38.205,1132 18.384,1133 20814,1134 32777,1135 29.126,1136 46.517,1137 65.17,1138 67,1139 68.651,1140 64.831,1141 64.949,1142 78.234,1143 10.973,1144 196.819,1145 62.03,1146 5.695,1147 5.801,1148 6.738,1149 5.445,1150 5.353,1151 7.638,1152 3.048,1153 20.078,1154 5.312,1155 17.641,1156 1.516,1157 1.558,1158 1.597,1159 1.508,1160 1.51,1161 1.819,1162 0.255,1163 4.577,1164 1.443,1165 4.148,1166 4.198,1167 4.121,1168 3.991,1169 7.431,1170 4.016,1171 3.908,1172 3.953,1173 3.846,1174 3.812,1175 5.136,1176 3.816,1177 3.902,1178 3.938,1179 3.804,1180 3.74,1181 4.81,1182 3.747,1183 3.815,1184 3.853,1185 3.725,1186 3.666,1187 4.752,1188 3.674,1189 3.549,1190 3.617,1191 3.473,1192 3.256,1193 4.67,1194 3.3,1195 3.399,1196 3.456,1197 3.305,1198 3.136,1199 4.483,1200 3.168,1201 3.235,1202 3.317,1203 3.094,1204 2.993,1205 4.315,1206 3.007,1207 3.168,1208 3.255,1209 3.048,1210 2.969,1211 4.205,1212 2.976,1213 0.109,1214 0.088,1215 0.167,1216 0.101,1217 0.078,1218 4.695,1219 0.108,1220 3.801,1221 0.039,1222 7.187,1223 0.291,1224 4.338,1225 0.077,1226 3.353,1227 4.638,1228 1.656,1229 12.508,1230 3.312,1231 1.957,1232 1.925,1233 2.068,1234 2.102,1235 1.458,1236 2.086,1237 1.871,1238 1.829,1239 2.019,1240 2.027,1241 1.255,1242 2.027,1243 1.776,1244 1.737,1245 1.898,1246 1.948,1247 1.22,1248 1.937,1249 1.604,1250 1.543,1251 1.86,1252 1.799,1253 1.106,1254 1.798,1255 1.57,1256 1.526,1257 1.716,1258 1.76,1259 0.897,1260 1.773,1261 1.423,1262 1.349,1263 1.685,1264 1.724,1265 0.825,1266 1.711,1267 1.364,1268 1.309,1269 1.618,1270 1.66,1271 0.735,1272 1.639,1273 1.162,1274 1.084,1275 1.557,1276 1.474,1277 0.688,1278 1.503,1279 4.466,1281 5.826,1282 3.045,1283 7.385,1284 5.416,1285 9.028,1286 7.516,1287 10.717,1289 5.014,1295 7.163,1296 5.363,1297 17.496,1299 0.672,1300 2.342,1301 -0.525,1305 44.384,1306 116.299,1307 267.377,1308 352.573,1309 375.593,1310 375.593,1311 375.593,1312 65.407,1313 8.901,1314 115.66,1315 115.66,1316 34,1317 13.132,1318 4.17,1319 3.322,1320 52.755,1321 170,1322 214,1323 0.148,1324 265.529,1325 459.84,1326 639.651,1327 92247,1329 26.277,1330 0.692,1331 0.583,1332 26.277,1333 22.145,1334 18.503,1335 0.43,1336 0.311,1337 13.09,1338 17.506,1339 12.794,1340 10.503,1341 18.503,1342 13.357,1343 16.815,1344 0.267,1345 0.165,1346 16.815,1347 10.391,1348 15.348,1349 0.174,1350 0.093,1351 15.348,1352 8.212,1353 12.672,1354 0.107,1355 0.051,1356 12.672,1357 6.011,1358 10.324,1359 0.066,1360 0.027,1361 10.324,1362 4.283,1363 0.231,1364 117.88,1365 0.185,1366 34.048,1367 0.417,1368 212,1369 605.833,1370 240.493,1371 566.003,1372 787.78,1373 536,1374 257,1375 594.461,1376 286.361,1377 592.177,1378 880.42,1379 557,1380 6.188}
{0 CHEMBL601661,1 1.608,2 12.921,3 1.954,4 3.817,5 139.14,6 7.319,7 0.364,8 4.398,9 4.519,10 3.967,11 3.863,12 5.388,13 3.866,14 5.024,15 5.195,16 4.398,17 4.309,18 6.018,19 4.296,20 5.31,21 5.528,22 4.403,23 4.455,24 6.22,25 4.401,26 5.308,27 5.551,28 4.331,29 4.454,30 6.216,31 4.375,32 5.252,33 5.499,34 4.334,35 4.445,36 6.142,37 4.361,38 5.208,39 5.435,40 4.373,41 4.429,42 6.141,43 4.369,44 5.197,45 5.408,46 4.402,47 4.435,48 6.15,49 4.381,50 5.253,51 5.483,52 4.296,53 4.478,54 6.15,55 4.38,56 0.09,57 1.122,58 15.634,59 6.268,60 10.688,61 8.544,62 0.631,63 1.845,64 32.718,65 10.91,66 42.57,67 15.215,68 0.868,69 2.234,70 46.808,71 13.723,72 64.432,73 20.107,74 0.844,75 2.286,76 46.721,77 13.569,78 67.453,79 20.629,80 0.642,81 2.19,82 43.621,83 13.857,84 55.21,85 21.323,86 0.642,87 2.184,88 40.739,89 12.309,90 54.897,91 18.901,92 0.672,93 2.174,94 39.655,95 12.239,96 48.085,97 18.62,98 0.665,99 2.202,100 42.672,101 14.684,102 61.404,103 21.431,104 8,105 65,106 0.25,107 0.58,108 0.756,109 0.806,110 0.806,111 0.806,112 3.668,113 0.929,114 -4.49,115 -4.41,116 -4.16,119 38,121 6,124 1,125 4,127 3,131 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 4,175 15,178 2,179 1,180 2,183 6,186 2,187 14,192 2,195 4,198 5,199 12,204 3,207 3,211 3,212 12,217 2,220 6,223 2,224 11,227 2,229 1,232 4,236 5,237 15,245 8,249 2,250 2,253 4,255 1,258 12,262 4,263 6,266 1,271 12,275 2966,276 26.35,277 26.35,278 26.35,279 26.35,280 26.35,281 24.462,282 33.466,283 15.082,284 26.986,285 21.676,286 21.676,287 21.676,288 21.676,289 21.676,290 18.612,291 41.716,292 7.108,293 22.722,294 4.542,295 2.424,296 1.293,297 0.968,298 0.968,299 0.968,300 4.395,306 1117,307 3.674,310 276.938,311 424.43,312 114.306,314 154.823,318 1.873,319 38.035,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.67,328 1,329 0.63,330 83.5,331 491,332 4.695,333 3.84,334 7.209,335 4.36,336 3.375,337 4.638,338 1.656,339 12.672,340 3.329,341 4.363,342 3.54,343 6.904,344 4.231,345 3.279,346 3.796,347 1.392,348 11.626,349 3.115,350 4.18,351 3.413,352 6.346,353 3.844,354 2.914,355 3.407,356 0.86,357 9.688,358 2.748,359 4.027,360 3.192,361 6.114,362 3.793,363 2.821,364 3.322,365 0.8,366 8.983,367 2.704,368 3.836,369 2.889,370 5.771,371 3.556,372 2.604,373 3.165,374 0.532,375 8.076,376 2.472,377 3.707,378 2.767,379 5.465,380 3.453,381 2.492,382 2.796,383 0.247,384 7.313,385 2.389,386 3.45,387 2.426,388 5.418,389 3.073,390 2.128,391 2.685,393 6.761,394 2.007,395 3.267,396 2.284,397 4.879,398 3.028,399 2.043,400 2.36,402 5.638,403 1.994,404 2.96,405 2.093,406 4.783,407 2.839,408 1.879,409 2.16,411 5.327,412 1.794,413 2.879,414 1.859,415 4.695,416 2.462,417 1.523,418 1.879,420 4.578,421 1.425,422 2.697,423 1.568,424 4.403,425 2.44,426 1.488,427 1.725,428 4.229,429 1.411,430 2.577,431 1.535,432 4.111,433 2.297,434 1.373,435 1.603,436 3.244,437 1.258,438 2.5,439 1.478,440 3.802,441 2.057,442 1.105,443 1.5,445 2.869,446 1.048,447 2.387,448 1.136,449 3.79,450 2,451 1,452 1.38,454 2.372,455 1,456 2.08,457 1.098,458 3.664,459 2,460 1,461 1,463 2.275,464 1,465 17.633,466 0.464,467 0.928,468 0.024,469 43.75,470 1.151,471 16.5,472 0.434,473 27.25,474 0.717,475 40.893,476 1.076,477 42.367,478 0.597,479 35.176,480 0.926,481 7.992,482 0.21,483 10.596,484 0.279,485 0.047,486 0.028,487 0.329,493 0.831,494 1.505,495 0.767,496 1.247,497 0.649,498 1.028,499 1.029,500 1.152,501 0.893,502 1.055,503 0.67,504 0.966,505 1.359,506 1.129,507 1.062,508 0.95,509 0.989,510 0.96,511 1.043,512 0.956,513 1.075,514 0.917,515 1.027,516 0.977,517 0.661,518 1.075,519 0.849,520 0.948,521 0.809,522 0.927,523 0.835,524 1.078,525 0.975,526 0.973,527 0.831,528 0.974,529 0.819,530 1.188,531 1.015,532 1.085,533 0.611,534 1.067,535 0.714,536 0.943,537 1.059,538 1.09,539 0.624,540 1.121,541 8.5,542 0.328,543 4.222,544 2.014,545 1.841,546 1.591,547 0.999,548 0.601,549 0.474,550 0.408,551 23819,552 57235,553 2.232,554 46.5,556 18,558 1,559 2,561 8,562 4,564 1.793,565 2.141,566 3.598,567 0.201,573 114.134,574 1.608,575 3.726,576 4.857,577 5.181,578 5.181,579 5.181,580 3.06,581 4.596,582 5.211,583 3.817,584 2683.16,585 9.22,586 43455,591 436.632,592 1.325,593 5.197,594 0.193,595 0.007,596 0.065,597 0.031,598 0.031,599 0.026,600 0.016,601 0.009,602 0.008,603 0.008,604 0.395,605 0.17,606 0.63,607 0.776,608 208.552,609 -0.016,610 -0.222,611 0.092,612 -0.108,613 -0.012,614 -0.006,615 0.082,616 -0.008,617 0.055,618 -0.019,619 0.114,620 0.005,621 -0.193,622 -0.111,623 -0.066,624 0.033,625 -0.062,626 0.003,627 -0.129,628 0.098,629 -0.1,630 0.04,631 -0.085,632 -0.015,633 0.048,634 -0.042,635 0.097,636 0.06,637 -0.002,638 0.084,639 -0.04,640 0.038,641 -0.031,642 0.011,643 -0.063,645 0.021,646 -0.051,647 -0.079,648 -0.086,650 -0.094,651 0.009,652 0.132,653 -0.13,654 -0.062,655 0.026,656 -0.11,657 1.925,658 4.713,659 0.868,660 47.74,661 1.007,662 1.137,663 3.257,664 10.61,665 0.644,666 3.807,667 4.19,668 4.522,669 4.844,670 5.112,671 5.328,672 5.572,673 5.796,674 6.016,675 6.227,676 7.674,677 0.618,678 519.67,679 3.807,680 5.389,681 6.275,682 7.186,683 8.087,684 9.004,685 9.914,686 10.834,687 11.749,688 12.672,689 9.9,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 71,733 17,734 1,735 44,737 77,738 27,739 11,740 2,741 4,746 7,747 9,751 1,755 10,758 10,761 12,762 15,766 1,771 1,775 1,781 33,782 10,783 2,784 11,790 7,794 0.571,795 4,801 1,803 1,806 1,811 3,812 4,813 1,815 1,839 3,840 4,844 1,848 38,854 10,855 2,856 3,858 3,859 1,860 1,870 5.6,873 1,874 3,877 17.75,878 12.833,879 8.083,880 4.59,881 3.015,882 1.331,883 1.007,884 6.333,885 12.13,886 3.989,887 4.572,888 5.157,889 5.765,890 6.325,891 6.788,892 7.32,893 7.814,894 8.213,895 8.653,896 0.889,897 64,898 14.162,900 6.302,901 7.59,902 27.715,904 24.341,905 2.09,906 79.417,910 364.904,911 103.114,912 91.156,914 58.145,917 103.114,918 423.049,919 91.156,920 8.396,921 64.625,922 37.905,923 121.865,924 24.792,925 6.604,926 353.133,928 364.904,929 194.271,930 58.145,933 225.979,934 166.398,935 33,937 77.164,938 64.545,939 50.234,941 364.904,942 149.301,943 103.114,946 364.904,947 47.766,948 60.25,949 36.022,950 108.379,951 364.904,952 149.301,953 103.114,955 0.593,956 0.352,957 0.189,958 0.1,959 36,960 14,961 0.052,962 4,963 3,964 1.182,965 4.824,966 409.829,967 0.182,968 33,969 181.421,974 24.431,975 9.85,976 4.622,977 1.826,978 147.524,979 9.547,980 14.99,984 3.152,985 2.086,986 36.022,987 617.32,988 53,993 11.713,997 -0.258,999 71.509,1000 80.723,1001 0.261,1002 0.606,1003 0.79,1004 0.843,1005 0.843,1006 0.843,1007 5.288,1008 2.043,1009 6.29,1010 6.761,1011 4.875,1012 5.26,1013 2.54,1014 7.166,1015 4.784,1016 6.483,1017 1.879,1018 7.887,1019 5.638,1020 4.575,1021 5.13,1022 1.305,1023 8.33,1024 4.466,1025 7.807,1026 1.523,1027 9.588,1028 5.327,1029 6.567,1030 7.424,1031 3.016,1032 11.393,1033 6.399,1034 9.165,1035 1.488,1036 11.353,1037 4.578,1038 7.107,1039 8.157,1040 2.354,1041 13.401,1042 6.922,1043 10.557,1044 1.373,1045 13.162,1046 4.229,1047 8.567,1048 9.956,1049 3.72,1050 16.037,1051 8.336,1052 11.973,1053 1.105,1054 15.001,1055 3.244,1056 9.47,1057 11.091,1058 3.414,1059 18.359,1060 9.22,1061 13.406,1062 1,1063 16.863,1064 2.869,1065 10.742,1066 12.71,1067 4.529,1068 20.888,1069 10.457,1070 3.375,1071 1,1072 18.743,1073 2.372,1074 11.804,1075 14.045,1076 4.466,1077 23.326,1078 11.499,1079 3.279,1080 12.672,1081 20.636,1082 2.275,1083 13.011,1084 15.598,1085 5.398,1086 25.833,1087 12.68,1088 2.914,1089 11.626,1090 22.54,1091 4.638,1092 14.143,1093 17.032,1094 5.504,1095 28.316,1096 13.792,1097 2.821,1098 9.688,1099 24.453,1100 3.796,1101 15.333,1102 18.563,1103 6.306,1104 30.824,1105 14.959,1106 2.604,1107 8.983,1108 26.374,1109 3.407,1110 16.497,1111 20.046,1112 6.531,1113 33.327,1114 16.105,1115 2.492,1116 8.076,1117 28.301,1118 3.322,1119 17.684,1120 21.571,1121 7.242,1122 35.84,1123 17.273,1124 2.128,1125 7.313,1126 30.233,1127 3.165,1128 18.864,1129 23.079,1130 7.551,1131 38.352,1132 18.435,1133 21488,1134 33451,1135 30.512,1136 45.756,1137 67.316,1138 68.999,1139 68.947,1140 66.854,1141 66.947,1142 80.222,1143 10.973,1144 202.934,1145 63.833,1146 5.695,1147 5.84,1148 6.773,1149 5.467,1150 5.375,1151 7.638,1152 3.048,1153 20.243,1154 5.329,1155 12.579,1156 1.53,1157 1.568,1158 1.567,1159 1.519,1160 1.522,1161 1.823,1162 0.249,1163 4.612,1164 1.451,1165 4.149,1166 4.199,1167 4.122,1168 3.992,1169 7.431,1170 4.017,1171 3.917,1172 3.957,1173 3.848,1174 3.814,1175 5.137,1176 3.817,1177 3.902,1178 3.938,1179 3.809,1180 3.744,1181 4.84,1182 3.752,1183 3.844,1184 3.878,1185 3.763,1186 3.681,1187 4.752,1188 3.693,1189 3.558,1190 3.622,1191 3.481,1192 3.307,1193 4.67,1194 3.328,1195 3.509,1196 3.563,1197 3.387,1198 3.252,1199 4.483,1200 3.289,1201 3.277,1202 3.361,1203 3.173,1204 3.044,1205 4.205,1206 3.066,1207 3.169,1208 3.251,1209 3.051,1210 2.971,1211 4.052,1212 2.978,1213 0.107,1214 0.087,1215 0.164,1216 0.099,1217 0.077,1218 4.695,1219 0.105,1220 3.84,1221 0.038,1222 7.209,1223 0.288,1224 4.36,1225 0.076,1226 3.375,1227 4.638,1228 1.656,1229 12.672,1230 3.329,1231 1.956,1232 1.925,1233 2.062,1234 2.099,1235 1.457,1236 2.083,1237 1.865,1238 1.822,1239 2.018,1240 2.016,1241 1.255,1242 2.019,1243 1.774,1244 1.735,1245 1.898,1246 1.947,1247 1.22,1248 1.936,1249 1.604,1250 1.543,1251 1.86,1252 1.792,1253 1.106,1254 1.798,1255 1.568,1256 1.524,1257 1.713,1258 1.76,1259 0.958,1260 1.768,1261 1.423,1262 1.349,1263 1.691,1264 1.714,1265 0.894,1266 1.706,1267 1.399,1268 1.34,1269 1.683,1270 1.658,1271 0.825,1272 1.669,1273 1.304,1274 1.243,1275 1.513,1276 1.598,1277 0.706,1278 1.554,1279 4.489,1281 5.855,1282 3.434,1283 7.412,1284 5.778,1285 9.054,1286 7.847,1287 10.743,1289 1.592,1295 8.742,1296 5.371,1297 18.008,1299 0.711,1300 2.35,1301 -0.414,1305 43.857,1306 114.134,1307 264.546,1308 344.858,1309 367.877,1310 367.877,1311 367.877,1312 60.058,1313 9.115,1314 115.66,1315 115.66,1316 39,1317 13.181,1318 4.17,1319 3.322,1320 48.34,1321 170,1322 214,1323 0.135,1324 258.136,1325 447.48,1326 621.611,1327 121133,1329 25.692,1330 0.676,1331 0.567,1332 25.692,1333 21.559,1334 18.588,1335 0.422,1336 0.31,1337 13.367,1338 17.635,1339 13.178,1340 10.703,1341 18.588,1342 13.618,1343 17.315,1344 0.266,1345 0.164,1346 17.315,1347 10.68,1348 15.512,1349 0.17,1350 0.091,1351 15.512,1352 8.281,1353 13.34,1354 0.106,1355 0.05,1356 13.34,1357 6.305,1358 10.912,1359 0.066,1360 0.027,1361 10.912,1362 4.536,1363 0.21,1364 117.98,1365 0.181,1366 34.111,1367 0.378,1368 218,1369 611.833,1370 247.822,1371 570.841,1372 800.96,1373 542,1374 265,1375 612.279,1376 295.8,1377 603.443,1378 905.54,1379 573,1380 5.928}
{0 CHEMBL601689,1 1.677,2 13.226,3 3.239,4 10.492,5 118.271,6 8.591,7 0.629,8 4.042,9 4.143,10 3.776,11 3.66,12 5.193,13 3.637,14 4.539,15 4.673,16 4.127,17 4.038,18 5.708,19 3.992,20 4.735,21 4.918,22 4.134,23 4.101,24 5.81,25 4.04,26 4.716,27 4.919,28 4.09,29 4.069,30 5.818,31 3.998,32 4.721,33 4.912,34 4.092,35 4.081,36 5.865,37 4.008,38 4.676,39 4.836,40 4.055,41 4.104,42 5.792,43 4.006,44 4.676,45 4.877,46 3.866,47 4.029,48 5.659,49 3.904,50 4.602,51 4.836,52 3.656,53 3.836,54 5.609,55 3.696,56 0.053,57 0.756,58 8.17,59 4.276,60 7.421,61 4.808,62 0.308,63 1.224,64 16.842,65 7.482,66 26.752,67 8.346,68 0.323,69 1.474,70 23.705,71 8.878,72 33.615,73 10.449,74 0.267,75 1.444,76 22.376,77 8.886,78 32.921,79 10.919,80 0.406,81 1.425,82 26.179,83 9.441,84 48.218,85 10.483,86 0.37,87 1.362,88 24.279,89 9.8,90 40.04,91 10.767,92 0.232,93 1.313,94 23.055,95 9.815,96 26.456,97 12.167,98 0.332,99 1.184,100 24.089,101 9.566,102 40.683,103 12.359,104 2,105 48,106 0.276,107 0.647,108 0.793,109 0.845,110 0.851,111 0.858,112 3.472,113 0.921,114 -3.47,115 -3.45,116 -3.29,119 46,121 1,125 2,135 1,136 1,142 7,143 1,144 2,145 2,146 2,149 1,151 1,152 1,159 1,172 6,174 1,175 8,178 2,179 1,180 4,183 7,187 9,192 2,195 3,199 10,202 1,204 5,207 5,211 1,212 4,217 2,220 9,223 1,224 2,227 3,229 1,232 14,236 1,237 2,245 10,249 2,250 4,253 2,255 2,258 2,263 4,268 3,275 1657,276 21.585,277 21.585,278 21.585,279 21.585,280 21.585,281 18.667,282 17.561,283 13.04,284 22.203,285 17.363,286 17.363,287 17.363,288 17.363,289 17.363,290 12.959,291 22.902,292 6.279,293 18.324,294 3.967,295 1.719,296 0.833,297 0.52,298 0.48,299 0.44,300 4.186,304 1,305 1,306 918,307 3,310 77.637,311 387.3,314 135.359,318 2.089,319 24.922,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 66.5,331 410,332 4.624,333 3.562,334 6.731,335 4.141,336 3.193,337 4.553,338 1.656,339 11.011,340 3.028,341 4.161,342 3.241,343 6.107,344 3.768,345 2.792,346 3.776,347 1.151,348 8.933,349 2.725,350 3.973,351 2.839,352 5.766,353 3.609,354 2.643,355 3.478,356 0.247,357 7.813,358 2.544,359 3.911,360 2.689,361 5.567,362 3.469,363 2.505,364 3.336,366 7.629,367 2.407,368 3.759,369 2.543,370 5.323,371 3.351,372 2.39,373 3.176,375 6.922,376 2.293,377 3.404,378 2.384,379 4.691,380 2.941,381 1.953,382 2.657,384 5.114,385 1.916,386 3.131,387 2.234,388 4.665,389 2.713,390 1.79,391 2.326,393 4.788,394 1.648,395 2.966,396 1.568,397 4.402,398 2.416,399 1.5,400 2.172,402 4.229,403 1.367,404 2.842,405 1.535,406 3.715,407 2.309,408 1.374,409 1.973,411 2.994,412 1.278,413 2.546,414 1.519,415 3.569,416 2.122,417 1.235,418 1.566,420 2.918,421 1.08,422 2.5,423 1.458,424 3.453,425 2,426 1.047,427 1.5,428 2.391,429 1,430 2.5,431 1.063,432 3.414,433 1.984,434 1,435 1.5,436 2.275,437 0.983,438 2.446,439 1,440 3.337,441 1.969,442 1,443 1.417,445 2.136,446 0.963,447 2.111,448 1,449 3.247,450 1.932,451 1,452 1.045,454 2.136,455 0.904,456 1.961,457 0.676,458 3.247,459 1.438,460 0.55,461 0.772,463 1.5,464 0.479,465 15,466 0.484,467 0.585,468 0.019,469 44.75,470 1.444,471 24,472 0.774,473 20.75,474 0.669,475 22.832,476 0.737,477 31.2,478 0.624,479 32.406,480 1.045,481 8.766,482 0.283,483 6.493,484 0.209,485 0.022,487 0.3,493 0.823,494 1.163,495 0.688,496 0.881,497 0.628,498 0.811,499 0.948,500 1.043,501 0.92,502 0.942,503 0.656,504 0.925,505 1.125,506 1.152,507 0.95,508 0.973,509 1.022,510 0.965,511 0.884,512 1.028,513 0.813,514 0.876,515 0.859,516 0.921,517 1.272,518 0.873,519 1.143,520 0.913,521 1.556,522 0.871,523 0.949,524 0.946,525 1.333,526 1.261,527 1.264,528 1.189,529 0.652,530 1.053,531 1.075,532 1.186,533 0.545,534 1.227,535 0.535,536 0.969,537 0.95,538 1.101,539 0.486,540 1.137,541 5,542 0.129,543 2.667,544 1.5,545 1.359,546 1.066,547 0.562,548 0.202,549 0.206,550 0.205,551 14950,552 42432,553 2.2,554 38,556 12,557 1,558 2,559 2,561 2,564 1.733,565 2.138,566 3.644,567 0.225,569 1,573 83.831,574 1.677,575 3.924,576 4.811,577 5.124,578 5.164,579 5.204,580 3.075,581 4.503,582 4.923,583 3.843,584 1786.77,585 8.582,586 26132.2,588 1,590 1,591 282.193,592 1.058,593 4.918,594 0.143,595 0.006,596 0.056,597 0.032,598 0.03,599 0.024,600 0.013,601 0.006,602 0.007,603 0.009,604 0.325,605 0.33,606 0.88,607 0.32,608 163.032,609 -0.071,610 -0.102,611 0.057,612 0.013,613 -0.059,614 0.029,615 0.059,616 -0.001,617 -0.038,618 0.003,619 0.065,620 -0.047,621 -0.154,622 -0.134,623 -0.033,624 -0.038,625 -0.106,626 -0.032,627 -0.047,628 -0.012,629 0.068,630 0.034,631 0.055,632 0.031,633 -0.171,634 0.156,635 -0.08,636 0.106,637 -0.117,638 0.084,639 -0.005,640 0.055,641 -0.261,642 -0.189,643 -0.114,644 -0.229,645 0.037,646 -0.121,647 -0.13,648 -0.19,649 -0.018,650 -0.205,651 0.249,652 -0.084,653 0.035,654 -0.099,655 0.212,656 -0.061,657 1.983,658 5.191,659 0.871,660 34.918,661 1.009,662 1.115,663 2.239,664 5.015,665 0.718,666 3.584,667 3.892,668 4.174,669 4.466,670 4.7,671 4.787,672 4.977,673 5.112,674 5.176,675 5.303,676 7.685,677 0.688,678 429.54,679 3.584,680 5.118,681 5.969,682 6.843,683 7.71,684 8.592,685 9.469,686 10.356,687 11.239,688 12.13,689 10,696 2,699 3,703 2,704 10,705 3,708 1,709 5,711 22,731 50,733 24,734 1,735 35,737 54,738 23,739 17,740 2,741 4,742 2,746 5,747 6,751 1,755 1,758 1,761 20,762 3,766 2,771 1,773 1,775 2,778 1,781 19,782 7,783 2,784 8,785 1,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,831 1,832 1,839 1,840 4,842 1,848 31,854 3,855 2,856 1,865 1,870 4,873 1,874 1,877 14.5,878 9.017,879 6.778,880 2.903,881 4.237,882 1.524,883 1.038,884 5.7,885 12.328,886 3.892,887 4.503,888 5.11,889 5.741,890 6.294,891 6.639,892 7.141,893 7.586,894 7.881,895 8.308,896 0.889,897 47,898 11.421,900 4.883,901 7.688,902 21.847,904 17.983,905 2.188,906 67.833,909 1,910 200.109,911 168.686,912 86.378,914 36.145,916 31.278,917 137.408,918 236.254,919 86.378,921 47.741,922 83.459,923 110.044,924 37.208,925 16.793,926 196.073,928 200.109,929 223.786,930 36.145,931 31.278,933 178.894,934 48.687,935 11,937 70.737,938 90.889,939 59.833,940 31.278,941 200.109,942 122.523,943 168.686,946 200.109,947 67.132,948 101.554,949 36.022,950 86.501,951 200.109,952 122.523,953 168.686,955 0.573,956 0.332,957 0.188,958 0.103,959 24,960 9,961 0.074,962 4,963 1,964 1.074,965 4.408,966 282.73,967 0.074,968 27,969 145.58,970 1,974 19.799,975 8.924,976 4.481,977 2.041,978 122.523,979 18.285,980 13.56,983 1.656,984 3.899,986 36.022,987 491.318,988 48,993 12.191,995 2.1,997 0.886,999 50.425,1000 55.737,1001 0.297,1002 0.695,1003 0.852,1004 0.908,1005 0.915,1006 0.922,1007 5.109,1008 1.5,1009 5.927,1010 4.788,1011 4.575,1012 5.19,1013 2.134,1014 6.713,1015 4.476,1016 6.309,1017 1.374,1018 7.459,1019 4.229,1020 4.007,1021 4.89,1022 1.195,1023 7.535,1024 3.902,1025 7.607,1026 1.235,1027 9.092,1028 2.994,1029 6.133,1030 7.403,1031 2.688,1032 10.664,1033 5.955,1034 8.943,1035 1.047,1036 10.788,1037 2.918,1038 6.431,1039 7.988,1040 2.324,1041 12.369,1042 6.231,1043 10.313,1044 1,1045 12.527,1046 2.391,1047 7.974,1048 9.922,1049 3.41,1050 14.992,1051 7.715,1052 11.708,1053 1,1054 14.296,1055 2.275,1056 8.689,1057 10.949,1058 3.407,1059 17.074,1060 8.392,1061 13.122,1062 1,1063 16.087,1064 2.136,1065 9.983,1066 12.633,1067 4.248,1068 19.531,1069 9.634,1070 3.193,1071 0.55,1072 17.894,1073 2.136,1074 10.908,1075 13.893,1076 4.464,1077 21.781,1078 10.51,1079 2.792,1080 11.011,1081 19.716,1082 1.5,1083 12.097,1084 15.467,1085 5.159,1086 24.185,1087 11.649,1088 2.643,1089 8.933,1090 21.548,1091 4.553,1092 13.129,1093 16.85,1094 5.504,1095 26.512,1096 12.626,1097 2.505,1098 7.813,1099 23.39,1100 3.776,1101 14.278,1102 18.38,1103 6.115,1104 28.903,1105 13.724,1106 2.39,1107 7.629,1108 25.24,1109 3.478,1110 15.364,1111 19.825,1112 6.531,1113 31.265,1114 14.753,1115 1.953,1116 6.922,1117 27.096,1118 3.336,1119 16.503,1120 21.339,1121 7.095,1122 33.655,1123 15.838,1124 1.79,1125 5.114,1126 28.958,1127 3.176,1128 17.617,1129 22.817,1130 7.551,1131 36.034,1132 16.895,1133 13700,1134 23232,1135 24.444,1136 35.915,1137 52.527,1138 53.426,1139 52.493,1140 51.986,1141 52.08,1142 70.662,1143 6.108,1144 145.953,1145 49.364,1146 5.545,1147 5.562,1148 6.533,1149 5.24,1150 5.193,1151 7.553,1152 2.912,1153 18.221,1154 5.028,1155 7.327,1156 1.501,1157 1.526,1158 1.5,1159 1.485,1160 1.488,1161 2.019,1162 0.175,1163 4.17,1164 1.41,1165 4.095,1166 4.116,1167 4.32,1168 4.068,1169 7.431,1170 4.032,1171 3.903,1172 3.941,1173 3.889,1174 3.833,1175 5.059,1176 3.821,1177 3.844,1178 3.879,1179 3.797,1180 3.741,1181 4.908,1182 3.749,1183 3.741,1184 3.772,1185 3.692,1186 3.634,1187 4.706,1188 3.621,1189 3.423,1190 3.468,1191 3.425,1192 3.187,1193 4.654,1194 3.217,1195 3.207,1196 3.253,1197 3.248,1198 3,1199 4.3,1200 3.031,1201 3.04,1202 3.13,1203 2.92,1204 2.88,1205 4.078,1206 2.858,1207 2.942,1208 2.988,1209 2.791,1210 2.76,1211 3.996,1212 2.766,1213 0.132,1214 0.102,1215 0.192,1216 0.118,1217 0.091,1218 4.624,1219 0.13,1220 3.562,1221 0.047,1222 6.731,1223 0.315,1224 4.141,1225 0.087,1226 3.193,1227 4.553,1228 1.656,1229 11.011,1230 3.028,1231 1.96,1232 1.935,1233 2.035,1234 2.068,1235 1.239,1236 2.06,1237 1.841,1238 1.812,1239 1.963,1240 1.987,1241 1.104,1242 1.977,1243 1.813,1244 1.775,1245 1.93,1246 1.937,1247 0.948,1248 1.941,1249 1.609,1250 1.573,1251 1.718,1252 1.779,1253 0.861,1254 1.763,1255 1.378,1256 1.372,1257 1.439,1258 1.553,1259 0.681,1260 1.512,1261 1.242,1262 1.2,1263 1.405,1264 1.427,1265 0.619,1266 1.48,1267 1.078,1268 0.993,1269 1.34,1270 1.295,1271 0.333,1272 1.347,1273 0.908,1274 0.874,1275 1.181,1276 1.097,1277 0.234,1278 1.107,1279 4.263,1281 5.572,1282 2.398,1283 7.079,1284 4.595,1285 8.675,1286 6.605,1287 10.32,1295 2.169,1296 5.593,1297 5.453,1305 34.411,1306 83.831,1307 196.223,1308 240.541,1309 256.193,1310 258.193,1311 260.193,1312 40.732,1313 8.091,1314 89.03,1315 117.27,1316 29,1317 12.66,1318 4.644,1319 3.807,1320 43.857,1321 143,1322 150,1323 0.147,1324 212.393,1325 360.47,1326 510,1327 40932,1329 21.045,1330 0.679,1331 0.56,1332 21.399,1333 17.355,1334 15.259,1335 0.436,1336 0.307,1337 9.813,1338 14.245,1339 9.563,1340 7.878,1341 15.713,1342 10.75,1343 13.51,1344 0.281,1345 0.164,1346 14.067,1347 7.894,1348 11.458,1349 0.179,1350 0.091,1351 12.147,1352 5.821,1353 9.973,1354 0.116,1355 0.049,1356 10.757,1357 4.239,1358 8.064,1359 0.074,1360 0.025,1361 8.66,1362 2.775,1363 0.236,1364 99.807,1365 0.202,1366 29.539,1367 0.391,1368 166,1369 491.933,1370 203.2,1371 498.379,1372 689.04,1373 470,1374 195,1375 494.926,1376 229.744,1377 516.217,1378 757.23,1379 487,1380 7.569}
{0 CHEMBL601690,1 1.824,2 8.72,3 1.297,4 1.683,5 90.01,6 8.558,7 0.571,8 3.883,9 3.981,10 3.723,11 3.431,12 4.955,13 3.41,14 4.45,15 4.601,16 3.998,17 3.805,18 5.747,19 3.788,20 4.636,21 4.818,22 3.99,23 3.902,24 5.808,25 3.856,26 4.616,27 4.817,28 3.945,29 3.872,30 5.754,31 3.821,32 4.606,33 4.814,34 3.945,35 3.859,36 5.694,37 3.813,38 4.614,39 4.817,40 3.904,41 3.836,42 5.825,43 3.779,44 4.534,45 4.752,46 3.767,47 3.722,48 5.599,49 3.64,50 4.372,51 4.589,52 3.652,53 3.582,54 5.49,55 3.454,56 0.123,57 0.702,58 9.426,59 4.064,60 16.738,61 4.337,62 0.497,63 1.11,64 19.17,65 6.724,66 55.669,67 7.458,68 0.595,69 1.257,70 23.202,71 8.006,72 56.161,73 9.39,74 0.487,75 1.263,76 21.544,77 7.377,78 50.541,79 9.237,80 0.458,81 1.237,82 22.464,83 7.109,84 44.453,85 9.496,86 0.613,87 1.231,88 20.249,89 6.696,90 62.047,91 8.793,92 0.498,93 1.087,94 21.035,95 6.603,96 40.216,97 8.713,98 0.432,99 0.883,100 19.173,101 7.006,102 37.837,103 8.957,104 11,105 41,106 0.316,107 0.651,108 0.79,109 0.823,110 0.823,111 0.823,112 3.268,113 1.045,114 -3.78,115 -3.74,116 -3.56,119 38.1,124 1,125 4,142 4,143 1,144 1,147 1,149 2,152 1,160 1,172 4,174 4,175 2,178 1,183 4,186 1,187 8,190 3,195 2,198 3,199 8,211 1,212 8,217 1,223 4,224 2,227 1,229 2,236 2,237 3,242 1,249 4,250 2,255 1,263 1,266 2,275 849,276 16.764,277 16.764,278 16.764,279 16.764,280 16.764,281 14.698,282 13.607,283 9.79,284 17.505,285 13.871,286 13.871,287 13.871,288 13.871,289 13.871,290 10.621,291 17.346,292 4.67,293 15.094,294 3.568,295 1.629,296 0.827,297 0.637,298 0.637,299 0.637,300 3.963,304 1,305 1,306 475,307 3.082,310 53.338,311 197.377,314 93.108,318 1.274,319 33.328,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 55.5,331 218,332 4.808,333 5.18,334 7.118,335 4.205,336 3.327,337 4.671,338 2.95,339 11.703,340 3.011,341 4.599,342 3.304,343 6.731,344 4.114,345 3.184,346 4.524,347 0.86,348 11.007,349 2.86,350 4.071,351 2.859,352 6.1,353 3.662,354 2.702,355 3.657,356 0.8,357 8.913,358 2.568,359 3.737,360 2.695,361 5.765,362 3.417,363 2.497,364 3.05,366 7.807,367 2.291,368 3.367,369 2.478,370 4.766,371 2.815,372 1.861,373 2.753,375 5.253,376 1.77,377 3.015,378 2.233,379 4.673,380 2.688,381 1.782,382 2.104,384 4.787,385 1.609,386 2.819,387 1.629,388 4.282,389 2.272,390 1.331,391 1.949,393 3.76,394 1.248,395 2.619,396 1.554,397 3.711,398 2.115,399 1.222,400 1.666,402 2.912,403 1.099,404 2.5,405 1.256,406 3.488,407 2.077,408 1.113,409 1.5,411 2.531,412 1.052,413 2.372,414 1.204,415 3.443,416 1.952,417 1,418 1.358,420 2.339,421 0.946,422 2,423 1,424 3.326,425 1.935,426 1,427 1,428 2.136,429 0.932,430 1.928,431 0.662,432 3.247,433 1.432,434 0.528,435 0.727,436 1.448,437 0.476,438 1,439 0.589,440 2.747,441 0.521,442 -0.404,443 -0.511,445 -1.096,446 -0.371,447 0.98,448 -0.123,449 2.701,450 0.394,451 -0.565,452 -0.724,454 -1.424,455 -0.539,456 0.809,457 -0.295,458 2.53,459 0.188,460 -0.766,461 -0.998,463 -2.1,464 -0.695,465 11.833,466 0.473,467 0.737,468 0.029,469 35.25,470 1.41,471 17.5,472 0.7,473 17.75,474 0.71,475 18.292,476 0.732,477 27.167,478 0.647,479 25.725,480 1.029,481 6.72,482 0.269,483 5.301,484 0.212,485 0.099,486 0.07,487 0.287,493 0.677,494 1.528,495 0.787,496 1.284,497 0.663,498 0.961,499 0.999,500 1.005,501 1.015,502 0.981,503 0.611,504 0.841,505 1.136,506 1.026,507 0.986,508 0.92,509 1.1,510 0.951,511 0.935,512 1.055,513 0.891,514 0.901,515 0.97,516 0.972,517 0.816,518 1.124,519 0.803,520 0.927,521 0.75,522 0.92,523 0.846,524 1.029,525 0.893,526 0.86,527 0.694,528 1.051,529 0.899,530 0.961,531 0.931,532 0.966,533 0.697,534 1.069,535 0.564,536 0.989,537 0.85,538 1.077,539 0.668,540 1.106,541 5.5,542 0.062,543 3.111,544 1.438,545 1.306,546 1.129,547 0.425,548 0.35,549 0.368,550 0.195,551 6675,552 20986,553 2.12,554 40.5,556 15,558 1,559 1,564 1.686,565 1.987,566 3.131,567 -0.198,568 1,569 1,571 1,573 76.626,574 1.824,575 3.763,576 4.565,577 4.755,578 4.755,579 4.755,580 2.519,581 4.054,582 4.618,583 3.269,584 980.674,585 8.014,586 11516.6,587 1,588 1,591 226.477,592 1.535,593 4.57,594 0.196,595 0.008,596 0.076,597 0.036,598 0.034,599 0.03,600 0.012,601 0.012,602 0.016,603 0.011,604 0.432,605 0.5,606 1,607 0.739,608 118.161,609 0.014,610 -0.306,611 0.204,612 -0.123,613 -0.135,614 -0.012,615 0.008,616 0.106,617 -0.047,618 0.038,619 0.213,620 0.075,621 -0.128,622 -0.01,623 -0.087,624 0.025,625 -0.087,626 -0.011,627 -0.108,628 -0.012,629 -0.053,630 -0.014,631 -0.099,632 -0.037,633 -0.044,634 -0.106,635 0.046,636 -0.025,637 -0.031,638 0.043,639 0.019,640 0.022,641 -0.11,642 -0.036,643 0.053,644 -0.149,645 -0.045,646 0.035,647 -0.041,648 -0.062,649 -0.065,650 -0.11,651 0.267,652 -0.069,653 0.171,654 -0.039,655 0.162,656 -0.057,657 4.217,658 4.821,659 0.84,660 18.365,661 1.021,662 1.132,663 2.547,664 6.49,665 0.681,666 3.367,667 3.738,668 4.007,669 4.29,670 4.554,671 4.673,672 4.868,673 4.99,674 5.069,675 5.142,676 5.427,677 0.657,678 359.45,679 3.367,680 4.934,681 5.796,682 6.698,683 7.582,684 8.487,685 9.38,686 10.287,687 11.184,688 12.092,689 11.9,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,731 42,733 18,734 1,735 28,737 45,738 16,739 11,740 2,741 4,746 4,747 5,761 11,762 5,766 2,769 1,771 2,777 1,778 1,781 17,782 7,783 1,784 9,785 1,787 1,790 5,794 0.75,795 3,806 1,811 1,812 3,815 1,839 1,840 3,842 1,844 1,848 25,851 1,854 4,856 1,859 1,870 7.1,873 2,874 1,877 12.583,878 7.883,879 5.278,880 2.386,881 3.304,882 1.443,883 1.023,884 4.098,885 10.755,886 3.664,887 4.341,888 4.919,889 5.546,890 6.115,891 6.536,892 7.047,893 7.47,894 7.8,895 8.208,896 0.833,897 40,898 9.414,900 4.277,901 7.897,902 17.563,904 14.818,905 2.397,906 59.917,910 188.338,911 86.408,912 70.266,914 55.313,916 6.046,917 80.362,918 243.65,919 70.266,920 7.19,921 13.396,922 43.951,923 126.059,924 28.689,925 4.472,926 176.567,928 188.338,929 150.628,930 55.313,931 6.046,933 192.381,934 44.313,935 11,937 38.8,938 57.428,939 56.403,941 188.338,942 125.579,943 86.408,945 6.046,946 188.338,947 26.648,948 56.838,949 16.786,950 105.669,951 188.338,952 125.579,953 86.408,955 0.594,956 0.339,957 0.182,958 0.102,959 22,960 9,961 0.067,962 3,963 1,964 1.095,965 3.621,966 219.584,967 0.095,968 21,969 110.096,973 1,974 16.308,975 6.283,976 3.196,977 1.321,978 108.794,979 8.227,980 13.41,981 3.085,984 2.086,986 16.786,987 400.325,988 38,991 -3.3,993 23.643,999 42.869,1000 47.531,1001 0.338,1002 0.698,1003 0.847,1004 0.882,1005 0.882,1006 0.882,1007 4.92,1008 1.222,1009 5.826,1010 3.76,1011 4.419,1012 5.027,1013 3.037,1014 6.701,1015 4.258,1016 6.174,1017 1.113,1018 7.43,1019 2.912,1020 4.205,1021 5.156,1022 0.325,1023 7.895,1024 3.909,1025 7.538,1026 1,1027 9.148,1028 2.531,1029 6.12,1030 7.407,1031 5.037,1032 10.934,1033 5.781,1034 8.948,1035 1,1036 10.934,1037 2.339,1038 6.723,1039 8.364,1040 0.268,1041 12.912,1042 6.234,1043 10.394,1044 0.528,1045 12.765,1046 2.136,1047 8.158,1048 10.146,1049 7.186,1050 15.531,1051 7.618,1052 11.866,1053 -0.404,1054 14.623,1055 1.448,1056 9.096,1057 11.435,1058 0.188,1059 17.788,1060 8.414,1061 13.356,1062 -0.565,1063 16.501,1064 -1.096,1065 10.36,1066 13.053,1067 9.348,1068 20.279,1069 9.608,1070 3.327,1071 -0.766,1072 18.392,1073 -1.424,1074 11.438,1075 14.479,1076 0.125,1077 22.644,1078 10.556,1079 3.184,1080 11.703,1081 20.294,1082 -2.1,1083 12.643,1084 16.038,1085 11.511,1086 25.096,1087 11.676,1088 2.702,1089 11.007,1090 22.204,1091 4.671,1092 13.78,1093 17.521,1094 0.082,1095 27.503,1096 12.693,1097 2.497,1098 8.913,1099 24.12,1100 4.524,1101 14.966,1102 19.059,1103 13.675,1104 29.945,1105 13.785,1106 1.861,1107 7.807,1108 26.041,1109 3.657,1110 16.128,1111 20.567,1112 0.054,1113 32.371,1114 14.835,1115 1.782,1116 5.253,1117 27.967,1118 3.05,1119 17.31,1120 22.098,1121 15.838,1122 34.811,1123 15.917,1124 1.331,1125 4.787,1126 29.896,1127 2.753,1128 18.484,1129 23.617,1130 0.035,1131 37.246,1132 16.983,1133 6372,1134 11438,1135 18.781,1136 28.608,1137 43.102,1138 45.095,1139 43.014,1140 43.168,1141 43.094,1142 57.92,1143 9.22,1144 129.193,1145 39.725,1146 5.808,1147 7.18,1148 6.92,1149 5.309,1150 5.327,1151 7.671,1152 5.9,1153 18.915,1154 5.011,1155 10.923,1156 1.539,1157 1.611,1158 1.536,1159 1.542,1160 1.539,1161 2.069,1162 0.329,1163 4.614,1164 1.419,1165 4.131,1166 4.165,1167 4.735,1168 4.102,1169 7.716,1170 4.026,1171 4.019,1172 4.01,1173 4.07,1174 3.881,1175 6.999,1176 3.884,1177 3.725,1178 3.784,1179 3.7,1180 3.592,1181 5.179,1182 3.535,1183 3.654,1184 3.653,1185 3.607,1186 3.491,1187 4.717,1188 3.506,1189 3.235,1190 3.304,1191 3.178,1192 3.02,1193 4.621,1194 3.045,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 4.427,1200 2.91,1201 2.931,1202 2.992,1203 2.856,1204 2.709,1205 4.038,1206 2.73,1207 2.783,1208 2.872,1209 2.595,1210 2.616,1211 3.687,1212 2.597,1213 0.172,1214 0.185,1215 0.254,1216 0.15,1217 0.119,1218 4.808,1219 0.167,1220 5.18,1221 0.105,1222 7.118,1223 0.418,1224 4.205,1225 0.108,1226 3.327,1227 4.671,1228 2.95,1229 11.703,1230 3.011,1231 1.997,1232 2.003,1233 2.017,1234 2.09,1235 1.235,1236 2.098,1237 1.816,1238 1.783,1239 1.93,1240 1.984,1241 1.204,1242 1.996,1243 1.611,1244 1.587,1245 1.71,1246 1.821,1247 0.885,1248 1.821,1249 1.511,1250 1.489,1251 1.583,1252 1.678,1253 0.825,1254 1.704,1255 1.325,1256 1.241,1257 1.513,1258 1.611,1259 0.777,1260 1.589,1261 1.153,1262 1.064,1263 1.476,1264 1.376,1265 0.37,1266 1.429,1267 0.94,1268 0.895,1269 1.138,1270 1.107,1271 0.239,1272 1.104,1273 0.805,1274 0.724,1275 1.065,1276 1.093,1277 0.206,1278 1.086,1279 4.043,1281 5.398,1282 2.398,1283 6.948,1284 4.595,1285 8.583,1286 6.605,1287 10.265,1289 1.184,1295 2.735,1297 5.405,1300 2.121,1305 27.599,1306 76.626,1307 158.059,1308 191.722,1309 199.722,1310 199.722,1311 199.722,1312 41.615,1313 7.452,1314 101.07,1315 109.45,1316 23,1317 12.611,1318 4.248,1319 3.459,1320 35.686,1321 81,1322 75,1323 0.219,1324 171.274,1325 284.62,1326 409.668,1327 16193,1329 17.441,1330 0.698,1331 0.578,1332 17.691,1333 14.454,1334 12.021,1335 0.429,1336 0.348,1337 7.873,1338 10.643,1339 7.543,1340 6.183,1341 12.915,1342 9.757,1343 11.638,1344 0.284,1345 0.192,1346 13.025,1347 7.887,1348 9.31,1349 0.172,1350 0.096,1351 10.053,1352 5.208,1353 7.863,1354 0.109,1355 0.048,1356 8.383,1357 3.484,1358 6.545,1359 0.07,1360 0.026,1361 7.032,1362 2.41,1363 0.332,1364 85.369,1365 0.231,1366 23.71,1367 0.635,1368 138,1369 452.98,1370 188.024,1371 450.656,1372 612.24,1373 418,1374 164,1375 427.248,1376 220.368,1377 461.429,1378 674.96,1379 431,1380 5.409}
{0 CHEMBL601719,1 1.778,2 11.767,3 3.694,4 13.646,5 118.112,6 8.661,7 0.515,8 4.068,9 4.188,10 3.755,11 3.612,12 5.194,13 3.597,14 4.613,15 4.779,16 4.164,17 4.02,18 5.709,19 3.988,20 4.9,21 5.103,22 4.332,23 4.171,24 6.028,25 4.108,26 4.921,27 5.125,28 4.366,29 4.168,30 6.033,31 4.081,32 4.893,33 5.122,34 4.105,35 4.074,36 6.038,37 3.981,38 4.725,39 4.942,40 4.013,41 3.993,42 5.803,43 3.908,44 4.692,45 4.901,46 4.129,47 3.992,48 5.855,49 3.904,50 4.731,51 4.963,52 3.976,53 3.926,54 5.886,55 3.828,56 0.124,57 0.843,58 8.72,59 4.5,60 12.631,61 5.562,62 0.295,63 1.327,64 18.794,65 7.839,66 27.206,67 9.848,68 0.724,69 1.546,70 32.857,71 10.809,72 68.014,73 13.474,74 0.761,75 1.529,76 41.123,77 11.496,78 68.091,79 14.309,80 0.89,81 1.468,82 39.648,83 11.066,84 85.139,85 14.164,86 0.537,87 1.357,88 25.281,89 9.144,90 52.019,91 11.785,92 0.463,93 1.286,94 27.552,95 9.058,96 51.292,97 12.149,98 0.596,99 1.34,100 30.777,101 9.101,102 68.553,103 11.935,104 26,105 47,106 0.297,107 0.679,108 0.838,109 0.866,110 0.866,111 0.866,112 3.44,113 0.955,114 -4.9,115 -4.8,116 -4.51,119 40.4,120 1,121 2,125 2,127 2,142 3,143 3,144 4,145 2,147 1,151 1,163 1,164 1,165 1,166 1,172 3,175 8,177 1,178 1,180 2,183 7,186 1,187 7,189 1,190 1,192 1,195 3,197 1,199 6,202 1,204 1,207 9,209 1,211 2,212 3,215 1,217 3,220 5,222 3,223 2,229 1,232 7,237 5,239 2,240 2,242 4,245 4,247 3,250 7,255 2,258 4,260 1,266 1,268 2,271 1,273 2,275 1486,276 20.068,277 20.068,278 20.068,279 20.068,280 20.068,281 17.901,282 23.489,283 11.629,284 20.687,285 16.228,286 16.228,287 16.228,288 16.228,289 16.228,290 13.008,291 28.517,292 5.49,293 17.389,294 3.922,295 1.637,296 0.683,297 0.515,298 0.515,299 0.515,300 4.132,301 2,304 1,305 1,306 762,307 3,310 82.892,311 310.356,318 1.916,319 36.219,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 65.667,331 353,332 4.492,333 3.623,334 6.78,335 4.095,336 3.167,337 4.165,338 1.151,339 10.939,340 2.952,341 4.382,342 3.179,343 6.323,344 3.994,345 3.027,346 4.065,347 0.4,348 9.687,349 2.88,350 4.13,351 3.043,352 6.112,353 3.767,354 2.822,355 3.69,357 8.943,358 2.668,359 3.736,360 2.892,361 5.875,362 3.479,363 2.518,364 3.005,366 8.103,367 2.407,368 3.581,369 2.654,370 5.572,371 3.2,372 2.29,373 2.894,375 6.876,376 2.059,377 3.222,378 2.472,379 4.891,380 2.845,381 1.948,382 2.416,384 5.281,385 1.798,386 3.117,387 2.103,388 4.634,389 2.796,390 1.869,391 2.251,393 4.921,394 1.589,395 2.889,396 2.021,397 4.349,398 2.425,399 1.518,400 2.029,402 4.026,403 1.354,404 2.657,405 1.627,406 4.116,407 2.364,408 1.414,409 1.69,411 3.494,412 1.34,413 2.538,414 1.564,415 4.032,416 2.151,417 1.24,418 1.546,420 3.212,421 1.09,422 2.225,423 1.077,424 3.466,425 1.984,426 1,427 1.145,428 2.429,429 0.983,430 2.076,431 1,432 3.263,433 1.902,434 0.934,435 1,436 2.136,437 0.902,438 2,439 0.881,440 3.247,441 1.598,442 0.666,443 0.949,445 1.634,446 0.619,447 1.459,448 0.775,449 3.046,450 1.08,451 0.219,452 0.257,454 0.504,455 0.165,456 1.427,457 0.676,458 2.718,459 0.986,460 0.188,461 0.224,463 0.427,464 0.141,465 14.548,466 0.485,467 0.822,468 0.027,469 36.75,470 1.225,471 17,472 0.567,473 19.75,474 0.658,475 28.716,476 0.957,477 32.852,478 0.632,479 28.006,480 0.934,481 7.035,482 0.234,483 7.401,484 0.247,485 0.18,487 0.371,491 1,493 0.701,494 1.135,495 0.571,496 0.917,497 0.649,498 0.868,499 0.853,500 1.106,501 0.64,502 0.903,503 0.585,504 0.877,505 1.005,506 0.976,507 0.807,508 0.867,509 0.766,510 0.881,511 0.945,512 0.998,513 0.985,514 1.072,515 0.813,516 1.043,517 0.921,518 0.856,519 1.083,520 1.014,521 0.836,522 1.005,523 0.936,524 1.017,525 0.727,526 0.859,527 1.02,528 0.946,529 0.555,530 1.045,531 0.845,532 1.106,533 0.625,534 1.05,535 0.977,536 0.996,537 1.025,538 1.007,539 0.917,540 1.025,541 6,542 0.18,543 4.222,544 2.25,545 1.829,546 1.039,547 0.652,548 0.438,549 0.396,550 0.221,551 12062,552 37175,553 2.067,554 42.3,556 9,557 1,558 2,559 3,561 3,562 4,564 1.728,565 1.915,566 3.52,567 0.933,569 1,573 92.467,574 1.778,575 4.063,576 5.018,577 5.186,578 5.186,579 5.186,580 2.94,581 4.707,582 4.88,583 3.698,584 1608.53,585 8.51,586 22407.8,588 1,591 296.423,592 1.475,593 4.828,594 0.182,595 0.007,596 0.09,597 0.046,598 0.041,599 0.026,600 0.017,601 0.011,602 0.012,603 0.008,604 0.44,605 0.17,606 1,607 0.594,608 154.477,609 -0.04,610 -0.029,611 0.011,612 0.004,613 -0.063,614 0.028,615 -0.065,616 -0.082,617 0.05,618 0.021,619 0.049,620 0.044,621 0.001,622 -0.002,623 0.076,624 0.088,625 0.091,626 0.07,627 0.03,628 -0.094,629 0.057,630 -0.084,631 -0.004,632 -0.068,633 0.062,634 0.078,635 -0.087,636 -0.045,637 0.073,638 -0.029,639 -0.048,640 -0.008,641 0.019,642 0.079,643 -0.097,644 0.015,645 0.159,646 -0.124,647 0.086,648 -0.128,649 0.121,650 -0.058,651 -0.027,652 -0.018,653 -0.059,654 -0.047,655 0.044,656 -0.054,657 2.225,658 5.882,659 0.767,660 28.804,661 1.016,662 1.136,663 3.666,664 13.438,665 0.688,666 3.526,667 3.871,668 4.159,669 4.394,670 4.575,671 4.615,672 4.71,673 4.804,674 4.927,675 5.011,676 7.009,677 0.656,678 450.38,679 3.526,680 5.081,681 5.943,682 6.825,683 7.7,684 8.585,685 9.465,686 10.35,687 11.232,688 12.119,689 9.6,691 1,693 1,697 1,699 2,704 6,705 2,709 8,710 1,711 17,722 1,729 1,730 3,731 52,733 17,734 1,735 33,737 55,738 21,739 14,740 4,741 2,746 4,747 4,748 2,752 1,755 3,758 4,761 14,762 7,778 1,779 1,781 22,782 6,783 3,784 9,785 2,790 5,794 1,795 1,803 1,805 1,811 1,812 3,835 1,840 4,844 1,845 2,846 1,848 30,849 1,854 4,855 1,856 1,858 2,869 3,870 1.9,875 1,877 15.667,878 9.445,879 6.528,880 3.151,881 3.154,882 1.409,883 0.991,884 6.487,885 10.871,886 3.75,887 4.36,888 4.934,889 5.467,890 5.916,891 6.163,892 6.458,893 6.804,894 7.172,895 7.457,896 0.875,897 49,898 11.117,900 4.833,901 7.841,902 21.013,904 17.484,905 2.341,906 70.222,909 1,910 223.651,911 106.927,912 86.133,913 78.297,914 11,915 14.96,917 106.927,918 312.948,919 101.093,920 8.825,921 9.28,922 88.384,923 56.991,924 61.794,925 29.059,926 188.338,927 78.297,928 223.651,929 193.06,930 25.96,931 78.297,933 156.213,934 93.398,937 55.988,938 103.624,939 111.746,941 238.611,942 97.133,943 185.224,946 223.651,947 42.531,948 66.173,949 18.011,950 170.603,951 223.651,952 112.093,953 185.224,955 0.591,956 0.355,957 0.186,958 0.097,959 23,960 11,961 0.091,962 5,964 1,965 4.095,966 269.596,968 23,969 143.207,974 21.378,975 9.103,976 4.597,978 110.316,979 9.963,980 8.774,984 2.383,985 2.002,986 50.908,987 520.968,988 41.5,999 52.832,1000 59.081,1001 0.312,1002 0.713,1003 0.88,1004 0.91,1005 0.91,1006 0.91,1007 5.006,1008 1.518,1009 5.943,1010 4.921,1011 4.554,1012 5.047,1013 1.378,1014 6.772,1015 4.416,1016 6.215,1017 1.414,1018 7.521,1019 4.026,1020 4.205,1021 4.902,1023 7.711,1024 3.965,1025 7.529,1026 1.24,1027 9.2,1028 3.494,1029 6.172,1030 7.234,1031 1.517,1032 10.815,1033 5.925,1034 8.879,1035 1,1036 10.935,1037 3.212,1038 6.635,1039 7.908,1041 12.566,1042 6.288,1043 10.262,1044 0.934,1045 12.707,1046 2.429,1047 8.079,1048 9.719,1049 1.732,1050 15.186,1051 7.721,1052 11.666,1053 0.666,1054 14.503,1055 2.136,1056 8.901,1057 10.762,1059 17.27,1060 8.451,1061 13.086,1062 0.219,1063 16.317,1064 1.634,1065 10.146,1066 12.359,1067 1.968,1068 19.721,1069 9.669,1070 3.167,1071 0.188,1072 18.144,1073 0.504,1074 11.131,1075 13.581,1077 21.955,1078 10.571,1079 3.027,1080 10.939,1081 19.981,1082 0.427,1083 12.298,1084 15.081,1085 2.214,1086 24.345,1087 11.697,1088 2.822,1089 9.687,1090 21.827,1091 4.165,1092 13.358,1093 16.392,1095 26.648,1096 12.681,1097 2.518,1098 8.943,1099 23.679,1100 4.065,1101 14.496,1102 17.846,1103 2.468,1104 29.02,1105 13.767,1106 2.29,1107 8.103,1108 25.537,1109 3.69,1110 15.591,1111 19.203,1113 31.358,1114 14.791,1115 1.948,1116 6.876,1117 27.4,1118 3.005,1119 16.72,1120 20.635,1121 2.727,1122 33.727,1123 15.862,1124 1.869,1125 5.281,1126 29.267,1127 2.894,1128 17.833,1129 22.017,1131 36.084,1132 16.905,1133 11474,1134 20405,1135 21.789,1136 35.75,1137 50.135,1138 51.399,1139 51.655,1140 49.79,1141 49.642,1142 62.656,1143 3.102,1144 145.223,1145 45.89,1146 5.492,1147 5.623,1148 6.582,1149 5.171,1150 5.167,1151 7.165,1152 2.302,1153 18.081,1154 4.952,1155 15.841,1156 1.519,1157 1.558,1158 1.565,1159 1.509,1160 1.504,1161 1.899,1162 0.094,1163 4.401,1164 1.391,1165 4.05,1166 4.098,1167 4.126,1168 3.928,1169 8.201,1170 3.938,1171 3.938,1172 3.957,1173 3.987,1174 3.861,1175 5.192,1176 3.864,1177 3.827,1178 3.875,1179 3.763,1180 3.681,1181 4.961,1182 3.689,1183 3.634,1184 3.702,1185 3.592,1186 3.445,1187 4.932,1188 3.463,1189 3.395,1190 3.458,1191 3.538,1192 3.223,1193 4.616,1194 3.218,1195 3.111,1196 3.206,1197 3.258,1198 2.941,1199 4.59,1200 2.91,1201 3.057,1202 3.157,1203 3.11,1204 2.847,1205 4.375,1206 2.83,1207 2.939,1208 3.019,1209 2.927,1210 2.811,1211 4.324,1212 2.829,1213 0.136,1214 0.11,1215 0.205,1216 0.124,1217 0.096,1218 4.492,1219 0.126,1220 3.623,1221 0.035,1222 6.78,1223 0.331,1224 4.095,1225 0.089,1226 3.167,1227 4.165,1228 1.151,1229 10.939,1230 2.952,1231 1.91,1232 1.897,1233 2.039,1234 2.04,1235 1.392,1236 2.043,1237 1.856,1238 1.825,1239 1.967,1240 2.012,1241 1.171,1242 2.004,1243 1.815,1244 1.758,1245 1.903,1246 1.934,1247 1.02,1248 1.932,1249 1.424,1250 1.38,1251 1.675,1252 1.62,1253 0.825,1254 1.637,1255 1.333,1256 1.272,1257 1.513,1258 1.594,1259 0.787,1260 1.566,1261 1.236,1262 1.142,1263 1.505,1264 1.503,1265 0.639,1266 1.494,1267 1.153,1268 1.064,1269 1.416,1270 1.376,1271 0.494,1272 1.429,1273 0.85,1274 0.811,1275 1.17,1276 1.191,1277 0.185,1278 1.198,1279 4.205,1281 5.541,1282 2.398,1283 7.071,1284 4.595,1285 8.686,1286 6.605,1287 10.345,1289 1.73,1290 12.314,1291 13.882,1293 6.018,1295 4.068,1296 3.356,1297 5.975,1299 -0.243,1305 34.128,1306 92.467,1307 211.298,1308 260.913,1309 269.668,1310 269.668,1311 269.668,1312 62.812,1313 7.717,1314 77.99,1315 77.99,1316 23,1317 12.651,1318 4.17,1319 3.248,1320 47.079,1321 126,1322 128,1323 0.181,1324 215.049,1325 368.88,1326 516.478,1327 25301,1328 5.8,1329 21.25,1330 0.708,1331 0.597,1332 21.38,1333 17.92,1334 14.436,1335 0.437,1336 0.318,1337 9.662,1338 13.292,1339 9.412,1340 7.725,1341 14.602,1342 10.501,1343 13.223,1344 0.281,1345 0.172,1346 13.459,1347 8.1,1348 11.471,1349 0.182,1350 0.095,1351 11.538,1352 6.003,1353 9.315,1354 0.116,1355 0.054,1356 10.096,1357 4.308,1358 7.149,1359 0.074,1360 0.027,1361 7.001,1362 2.566,1363 0.285,1364 96.919,1365 0.214,1366 28.367,1367 0.491,1368 160,1369 520.834,1370 207.403,1371 537.371,1372 710.32,1373 500,1374 190,1375 479.673,1376 233.7,1377 495.485,1378 729.49,1379 467,1380 5}
{0 CHEMBL601864,1 1.621,2 11.069,3 1.604,4 2.573,5 107.236,6 7.567,7 0.485,8 4.086,9 4.217,10 3.68,11 3.555,12 5.154,13 3.563,14 4.661,15 4.847,16 4.078,17 3.973,18 5.716,19 3.966,20 4.892,21 5.103,22 4.083,23 4.099,24 5.897,25 4.054,26 4.888,27 5.135,28 3.986,29 4.058,30 5.881,31 3.99,32 4.772,33 4.994,34 4.013,35 4.033,36 5.771,37 3.982,38 4.807,39 5.017,40 4.013,41 4.072,42 5.812,43 4.025,44 4.841,45 5.056,46 3.922,47 4.066,48 5.793,49 3.973,50 4.859,51 5.145,52 3.657,53 3.924,54 5.741,55 3.776,56 0.082,57 0.858,58 10.725,59 4.144,60 8.155,61 5.756,62 0.433,63 1.359,64 21.832,65 6.991,66 30.23,67 10.002,68 0.521,69 1.577,70 29.201,71 8.834,72 43.371,73 12.937,74 0.555,75 1.552,76 29.931,77 8.65,78 50.214,79 13.166,80 0.326,81 1.436,82 25.543,83 8.438,84 34.414,85 12.603,86 0.447,87 1.524,88 25.844,89 7.681,90 37.305,91 11.378,92 0.412,93 1.495,94 26.874,95 9.146,96 32.403,97 13.564,98 0.538,99 1.315,100 30.933,101 9.966,102 54.324,103 15.155,104 13,105 48,106 0.269,107 0.641,108 0.782,109 0.814,110 0.814,111 0.814,112 3.409,113 0.891,114 -4.05,115 -4,116 -3.79,119 38.5,121 2,124 2,125 2,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 2,183 4,186 2,187 6,192 2,195 2,198 5,199 8,204 3,207 1,211 1,212 10,217 2,220 4,224 7,227 2,229 1,232 2,236 3,237 9,245 2,249 2,250 2,253 4,255 1,258 4,263 2,266 1,271 4,275 1347,276 19.867,277 19.867,278 19.867,279 19.867,280 19.867,281 17.902,282 24.334,283 11.433,284 20.385,285 16.258,286 16.258,287 16.258,288 16.258,289 16.258,290 13.152,291 32.439,292 5.429,293 17.108,294 4.079,295 1.839,296 0.991,297 0.798,298 0.798,299 0.798,300 4.119,304 1,305 1,306 719,307 3.162,310 128.003,311 229.137,312 83.747,314 115.139,318 1.727,319 25.317,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 63.5,331 321,332 4.668,333 3.54,334 6.83,335 4.204,336 3.256,337 4.621,338 1.656,339 11.341,340 3.087,341 4.168,342 3.395,343 6.123,344 3.813,345 2.877,346 3.79,347 0.86,348 9.029,349 2.736,350 3.974,351 3.138,352 6.095,353 3.753,354 2.783,355 3.301,356 0.8,357 8.86,358 2.65,359 3.83,360 2.787,361 5.627,362 3.485,363 2.524,364 3.158,365 0.247,366 7.617,367 2.418,368 3.634,369 2.69,370 5.465,371 3.35,372 2.424,373 2.761,375 7.313,376 2.239,377 3.45,378 2.41,379 4.911,380 3.033,381 2.049,382 2.683,384 5.638,385 2.003,386 2.963,387 2.093,388 4.879,389 2.839,390 1.879,391 2.165,393 5.329,394 1.794,395 2.91,396 1.875,397 4.781,398 2.626,399 1.681,400 1.994,402 5.13,403 1.585,404 2.879,405 1.535,406 4.411,407 2.44,408 1.488,409 1.879,411 4.255,412 1.412,413 2.619,414 1.259,415 4.176,416 2.131,417 1.195,418 1.664,420 3.398,421 1.116,422 2.5,423 1.1,424 3.664,425 2,426 1,427 1.5,428 2.275,429 1,430 2.173,431 1,432 3.414,433 1.774,434 0.833,435 1.075,436 2.161,437 0.781,438 1.693,439 0.965,440 3.27,441 1.577,442 0.663,443 0.684,445 1.647,446 0.601,447 1.52,448 0.89,449 2.903,450 1.33,451 0.403,452 0.431,454 0.624,455 0.371,456 1.32,457 0.48,458 2.807,459 0.908,460 -0.081,461 -0.105,463 -0.171,464 -0.079,465 13.467,466 0.464,467 0.742,468 0.026,469 37.25,470 1.284,471 16.5,472 0.569,473 20.75,474 0.716,475 24.397,476 0.841,477 31.533,478 0.606,479 28.159,480 0.971,481 7.186,482 0.248,483 6.916,484 0.238,485 0.099,487 0.394,493 0.824,494 1.528,495 0.748,496 1.197,497 0.622,498 0.99,499 0.961,500 1.033,501 0.835,502 0.912,503 0.584,504 0.855,505 1.253,506 1.198,507 1.03,508 1.015,509 0.955,510 0.999,511 0.973,512 0.887,513 1.02,514 0.891,515 1.056,516 0.94,517 0.786,518 1.177,519 0.805,520 1.004,521 0.87,522 0.92,523 1.173,524 1.003,525 1.173,526 0.981,527 0.98,528 1.04,529 0.749,530 1.267,531 1.141,532 1.324,533 0.595,534 1.304,535 0.53,536 0.756,537 0.916,538 0.993,539 0.48,540 1.018,541 6.5,542 0.208,543 3.111,544 1.729,545 1.328,546 1.233,547 0.584,548 0.439,549 0.333,550 0.132,551 10985,552 28357,553 2.171,554 44.2,556 16,558 1,559 2,561 4,564 1.722,565 2.047,566 3.382,567 0.296,568 1,569 1,573 84.291,574 1.621,575 3.862,576 4.71,577 4.902,578 4.902,579 4.902,580 2.892,581 4.418,582 4.824,583 3.583,584 1454.67,585 8.419,586 19220.1,588 1,590 1,591 296.423,592 1.361,593 4.797,594 0.197,595 0.012,596 0.065,597 0.037,598 0.032,599 0.027,600 0.013,601 0.012,602 0.012,603 0.006,604 0.412,605 0.5,606 0.88,607 1.009,608 146.041,609 -0.02,610 -0.267,611 0.079,612 -0.117,613 -0.03,614 -0.02,615 0.077,616 0.107,617 0.088,618 0.082,619 0.125,620 0.086,621 -0.152,622 -0.166,623 -0.068,624 -0.023,625 -0.041,626 -0.038,627 -0.072,628 0.147,629 -0.051,630 0.059,631 -0.069,632 0.017,633 0.012,634 -0.141,635 0.127,636 0.025,637 0.011,638 0.087,639 -0.245,640 0.128,641 -0.248,642 -0.015,643 -0.185,644 -0.105,645 0.034,646 -0.214,647 -0.224,648 -0.298,649 -0.059,650 -0.307,651 0.2,652 0.131,653 0.081,654 0.005,655 0.171,656 0.019,657 1.922,658 4.496,659 0.793,660 28.388,661 1.008,662 1.139,663 2.825,664 7.979,665 0.655,666 3.526,667 3.892,668 4.205,669 4.522,670 4.787,671 4.97,672 5.176,673 5.352,674 5.497,675 5.628,676 6.492,677 0.631,678 393.5,679 3.526,680 5.094,681 5.969,682 6.87,683 7.763,684 8.671,685 9.574,686 10.485,687 11.393,688 12.308,689 13.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 52,733 17,734 1,735 33,737 56,738 20,739 11,740 2,741 4,746 5,747 7,751 1,755 4,758 4,761 12,762 8,766 1,771 1,775 1,778 1,781 23,782 8,783 2,784 9,790 7,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,844 2,848 29,854 4,855 2,856 1,858 2,859 1,870 3.8,873 1,874 1,877 14.167,878 9.917,879 6.222,880 3.14,881 3.158,882 1.388,883 1.016,884 4.703,885 11.295,886 3.761,887 4.379,888 4.988,889 5.615,890 6.182,891 6.611,892 7.123,893 7.588,894 7.925,895 8.31,896 1,897 47,898 10.722,900 4.654,901 7.667,902 20.694,904 17.525,905 2.167,906 62.833,910 247.193,911 92.188,912 91.156,914 36.145,917 92.188,918 283.338,919 91.156,920 16.793,921 45.302,922 37.905,923 99.865,924 24.792,925 6.604,926 235.422,928 247.193,929 183.344,930 36.145,933 202.437,934 72.229,935 11,937 57.841,938 72.941,939 50.234,941 247.193,942 127.301,943 92.188,946 247.193,947 28.443,948 68.646,949 36.022,950 86.379,951 247.193,952 127.301,953 92.188,955 0.59,956 0.347,957 0.186,958 0.103,959 26,960 11,961 0.054,962 3,963 3,964 1.217,965 4.064,966 272.711,967 0.261,968 22,969 130.881,974 18.493,975 7.375,976 3.482,977 1.756,978 125.525,979 9.347,980 14.068,984 3.139,985 1.778,986 36.022,987 466.682,988 42,993 11.496,997 -0.255,999 52.436,1000 59.229,1001 0.284,1002 0.677,1003 0.826,1004 0.86,1005 0.86,1006 0.86,1007 5.03,1008 1.681,1009 5.969,1010 5.329,1011 4.575,1012 5.066,1013 2.109,1014 6.808,1015 4.473,1016 6.236,1017 1.488,1018 7.542,1019 5.13,1020 4.205,1021 4.934,1022 1.305,1023 7.719,1024 4.054,1025 7.552,1026 1.195,1027 9.208,1028 4.255,1029 6.201,1030 7.279,1031 2.545,1032 10.837,1033 5.996,1034 8.901,1035 1,1036 10.929,1037 3.398,1038 6.635,1039 8.004,1040 2.354,1041 12.576,1042 6.374,1043 10.283,1044 0.833,1045 12.687,1046 2.275,1047 8.1,1048 9.843,1049 3.285,1050 15.215,1051 7.791,1052 11.689,1053 0.663,1054 14.469,1055 2.161,1056 8.906,1057 10.98,1058 3.414,1059 17.322,1060 8.54,1061 13.113,1062 0.403,1063 16.272,1064 1.647,1065 10.165,1066 12.622,1067 4.168,1068 19.8,1069 9.751,1070 3.256,1071 -0.081,1072 18.09,1073 0.624,1074 11.15,1075 13.962,1076 4.466,1077 22.076,1078 10.678,1079 2.877,1080 11.341,1081 19.922,1082 -0.171,1083 12.331,1084 15.526,1085 5.115,1086 24.504,1087 11.81,1088 2.783,1089 9.029,1090 21.764,1091 4.621,1092 13.402,1093 16.963,1094 5.504,1095 26.856,1096 12.824,1097 2.524,1098 8.86,1099 23.616,1100 3.79,1101 14.557,1102 18.499,1103 6.092,1104 29.272,1105 13.928,1106 2.424,1107 7.617,1108 25.476,1109 3.301,1110 15.67,1111 19.983,1112 6.531,1113 31.661,1114 14.986,1115 2.049,1116 7.313,1117 27.343,1118 3.158,1119 16.821,1120 21.51,1121 7.084,1122 34.077,1123 16.085,1124 1.879,1125 5.638,1126 29.216,1127 2.761,1128 17.957,1129 23.016,1130 7.551,1131 36.484,1132 17.166,1133 10237,1134 16568,1135 22.482,1136 34.04,1137 50.418,1138 51.657,1139 51.655,1140 50.07,1141 50.108,1142 63.412,1143 7.126,1144 149.236,1145 47.586,1146 5.668,1147 5.54,1148 6.381,1149 5.311,1150 5.256,1151 7.621,1152 2.912,1153 18.749,1154 5.087,1155 12.551,1156 1.528,1157 1.565,1158 1.565,1159 1.517,1160 1.518,1161 1.922,1162 0.216,1163 4.522,1164 1.442,1165 4.126,1166 4.176,1167 4.103,1168 3.971,1169 7.431,1170 3.996,1171 3.902,1172 3.941,1173 3.838,1174 3.798,1175 5.142,1176 3.804,1177 3.879,1178 3.924,1179 3.791,1180 3.714,1181 4.757,1182 3.725,1183 3.554,1184 3.623,1185 3.478,1186 3.26,1187 4.671,1188 3.305,1189 3.37,1190 3.455,1191 3.282,1192 3.114,1193 4.491,1194 3.142,1195 3.17,1196 3.255,1197 3.053,1198 2.971,1199 4.205,1200 2.98,1201 3.093,1202 3.176,1203 2.89,1204 2.951,1205 4.021,1206 2.926,1207 3.054,1208 3.15,1209 2.835,1210 2.844,1211 3.764,1212 2.826,1213 0.141,1214 0.107,1215 0.207,1216 0.127,1217 0.099,1218 4.668,1219 0.14,1220 3.54,1221 0.05,1222 6.83,1223 0.344,1224 4.204,1225 0.094,1226 3.256,1227 4.621,1228 1.656,1229 11.341,1230 3.087,1231 1.95,1232 1.92,1233 2.027,1234 2.083,1235 1.255,1236 2.063,1237 1.791,1238 1.753,1239 1.902,1240 1.952,1241 1.222,1242 1.941,1243 1.604,1244 1.543,1245 1.86,1246 1.844,1247 1.107,1248 1.819,1249 1.59,1250 1.539,1251 1.759,1252 1.76,1253 0.913,1254 1.798,1255 1.427,1256 1.349,1257 1.697,1258 1.745,1259 0.69,1260 1.729,1261 1.415,1262 1.331,1263 1.628,1264 1.673,1265 0.679,1266 1.661,1267 1.091,1268 1.025,1269 1.284,1270 1.338,1271 0.496,1272 1.336,1273 0.886,1274 0.821,1275 1.215,1276 1.183,1277 0.322,1278 1.186,1279 4.205,1281 5.557,1282 3.045,1283 7.096,1284 5.416,1285 8.721,1286 7.496,1287 10.397,1289 3.475,1295 3.891,1296 5.296,1297 5.99,1299 0.544,1300 2.308,1305 32.794,1306 84.291,1307 200.813,1308 244.913,1309 254.913,1310 254.913,1311 254.913,1312 40.002,1313 8.136,1314 97.2,1315 97.2,1316 28,1317 12.822,1318 4.17,1319 3.322,1320 39.545,1321 111,1322 138,1323 0.174,1324 197.784,1325 333.52,1326 474.352,1327 38479,1329 19.957,1330 0.688,1331 0.566,1332 19.957,1333 16.422,1334 14.102,1335 0.427,1336 0.297,1337 9.607,1338 13.381,1339 9.395,1340 7.738,1341 14.102,1342 9.798,1343 13.084,1344 0.273,1345 0.157,1346 13.084,1347 7.52,1348 11.454,1349 0.174,1350 0.084,1351 11.454,1352 5.543,1353 9.681,1354 0.106,1355 0.045,1356 9.681,1357 4.061,1358 8.02,1359 0.067,1360 0.024,1361 8.02,1362 2.831,1363 0.27,1364 89.475,1365 0.211,1366 27.289,1367 0.486,1368 162,1369 468.362,1370 182.52,1371 447.391,1372 625.38,1373 422,1374 195,1375 478.666,1376 216.717,1377 478.522,1378 707.78,1379 451,1380 6.607}
{0 CHEMBL601876,1 1.591,2 13.385,3 2.016,4 4.064,5 144.006,6 7.212,7 0.356,8 4.432,9 4.556,10 3.989,11 3.899,12 5.412,13 3.898,14 5.06,15 5.234,16 4.414,17 4.344,18 6.04,19 4.325,20 5.363,21 5.582,22 4.451,23 4.501,24 6.263,25 4.446,26 5.368,27 5.611,28 4.365,29 4.5,30 6.265,31 4.418,32 5.301,33 5.546,34 4.369,35 4.503,36 6.177,37 4.412,38 5.29,39 5.528,40 4.394,41 4.489,42 6.187,43 4.415,44 5.257,45 5.479,46 4.42,47 4.469,48 6.182,49 4.407,50 5.285,51 5.517,52 4.328,53 4.505,54 6.178,55 4.409,56 0.079,57 1.16,58 16.595,59 6.598,60 10.703,61 9.085,62 0.616,63 1.908,64 34.43,65 11.476,66 42.602,67 16.171,68 0.85,69 2.33,70 49.681,71 14.572,72 64.943,73 21.466,74 0.91,75 2.383,76 50.227,77 14.433,78 72.346,79 21.92,80 0.615,81 2.305,82 45.728,83 14.811,84 54.741,85 22.749,86 0.651,87 2.32,88 45,89 13.703,90 57.523,91 21.227,92 0.682,93 2.263,94 43.051,95 13.05,96 51.029,97 20.196,98 0.669,99 2.274,100 44.461,101 14.95,102 62.073,103 22.082,104 8,105 66,106 0.246,107 0.565,108 0.746,109 0.811,110 0.811,111 0.811,112 3.694,113 0.941,114 -4.69,115 -4.6,116 -4.33,119 37.8,121 7,124 1,125 4,127 3,131 1,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 4,175 17,178 2,179 1,180 2,183 6,186 2,187 14,192 2,195 4,198 5,199 12,204 3,207 5,211 3,212 12,217 2,220 8,223 2,224 11,227 2,229 1,232 4,236 5,237 16,245 8,249 2,250 3,253 4,255 1,258 12,262 4,263 7,266 1,271 13,275 3240,276 27.057,277 27.057,278 27.057,279 27.057,280 27.057,281 25.169,282 34.86,283 15.582,284 27.686,285 22.176,286 22.176,287 22.176,288 22.176,289 22.176,290 19.112,291 43.56,292 7.358,293 23.213,294 4.619,295 2.549,296 1.379,297 0.956,298 0.956,299 0.956,300 4.421,306 1181,307 3.674,310 176.701,311 566.198,312 117.923,314 159.629,318 1.972,319 38.712,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 85.5,331 522,332 4.695,333 3.826,334 7.206,335 4.353,336 3.367,337 4.638,338 1.656,339 12.665,340 3.323,341 4.354,342 3.54,343 6.904,344 4.23,345 3.277,346 3.796,347 1.392,348 11.626,349 3.115,350 4.179,351 3.413,352 6.346,353 3.844,354 2.914,355 3.404,356 0.86,357 9.688,358 2.748,359 4.027,360 3.192,361 6.114,362 3.793,363 2.821,364 3.316,365 0.8,366 8.983,367 2.703,368 3.836,369 2.889,370 5.771,371 3.556,372 2.604,373 3.165,374 0.532,375 8.076,376 2.472,377 3.706,378 2.767,379 5.465,380 3.453,381 2.492,382 2.796,383 0.247,384 7.313,385 2.389,386 3.45,387 2.426,388 5.418,389 3.073,390 2.128,391 2.685,393 6.761,394 2.007,395 3.266,396 2.283,397 4.879,398 3.028,399 2.043,400 2.359,402 5.638,403 1.994,404 2.96,405 2.093,406 4.783,407 2.839,408 1.879,409 2.16,411 5.327,412 1.794,413 2.879,414 1.89,415 4.694,416 2.576,417 1.625,418 1.879,420 4.577,421 1.536,422 2.708,423 1.752,424 4.403,425 2.44,426 1.488,427 1.732,428 4.229,429 1.412,430 2.619,431 1.579,432 4.109,433 2.399,434 1.449,435 1.642,436 3.384,437 1.373,438 2.514,439 1.535,440 3.823,441 2.067,442 1.115,443 1.517,445 3.043,446 1.059,447 2.5,448 1.142,449 3.802,450 2,451 1,452 1.5,454 2.372,455 1,456 2.092,457 1.099,458 3.732,459 2,460 1,461 1,463 2.275,464 1,465 18.133,466 0.465,467 0.928,468 0.024,469 44.25,470 1.135,471 16.5,472 0.423,473 27.75,474 0.712,475 43.2,476 1.108,477 43.667,478 0.59,479 35.729,480 0.916,481 7.998,482 0.205,483 11.09,484 0.284,485 0.046,486 0.028,487 0.32,493 0.829,494 1.506,495 0.782,496 1.254,497 0.648,498 1.042,499 1.023,500 1.163,501 0.905,502 1.071,503 0.668,504 0.984,505 1.382,506 1.13,507 1.043,508 0.959,509 0.992,510 0.952,511 1.159,512 0.926,513 1.092,514 0.885,515 1.07,516 0.955,517 0.655,518 1.102,519 0.876,520 0.99,521 0.798,522 0.968,523 0.793,524 1.066,525 0.961,526 0.98,527 0.788,528 0.979,529 0.799,530 1.169,531 0.98,532 1.054,533 0.592,534 1.032,535 0.744,536 0.943,537 1.054,538 1.062,539 0.637,540 1.093,541 8.5,542 0.346,543 4.222,544 1.944,545 1.893,546 1.684,547 1.034,548 0.604,549 0.493,550 0.433,551 25529,552 59917,553 2.226,554 47.3,556 18,558 1,559 2,561 8,562 6,564 1.799,565 2.137,566 3.649,567 0.187,573 117.717,574 1.591,575 3.661,576 4.83,577 5.253,578 5.253,579 5.253,580 3.137,581 4.824,582 5.248,583 3.86,584 2860.38,585 9.294,586 47315,591 459.5,592 1.31,593 5.236,594 0.189,595 0.007,596 0.064,597 0.029,598 0.031,599 0.027,600 0.016,601 0.009,602 0.008,603 0.008,604 0.389,605 0.17,606 0.63,607 0.762,608 216.029,609 -0.009,610 -0.215,611 0.092,612 -0.104,613 -0.006,614 -0.005,615 0.091,616 -0.016,617 0.053,618 -0.029,619 0.12,620 -0.003,621 -0.177,622 -0.114,623 -0.04,624 0.026,625 -0.051,626 0.012,627 -0.155,628 0.116,629 -0.103,630 0.07,631 -0.097,632 0.002,633 0.046,634 -0.056,635 0.066,636 0.028,638 0.047,639 -0.018,640 0.027,641 -0.011,642 0.007,643 -0.04,644 0.005,645 0.04,646 -0.052,647 -0.03,648 -0.061,649 0.02,650 -0.054,651 0.001,652 0.142,653 -0.117,654 -0.042,655 0.026,656 -0.088,657 1.924,658 4.73,659 0.872,660 50.805,661 1.005,662 1.137,663 3.456,664 11.941,665 0.642,666 3.829,667 4.205,668 4.533,669 4.852,670 5.147,671 5.347,672 5.587,673 5.808,674 6.035,675 6.25,676 7.875,677 0.613,678 533.7,679 3.829,680 5.407,681 6.29,682 7.198,683 8.097,684 9.012,685 9.92,686 10.839,687 11.752,688 12.674,689 9.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 74,733 17,734 1,735 45,737 80,738 28,739 11,740 2,741 4,746 7,747 9,751 1,755 11,758 11,761 12,762 16,766 1,771 1,775 1,781 35,782 10,783 2,784 11,790 7,794 0.571,795 4,801 1,803 1,806 1,811 2,812 5,813 1,815 1,839 3,840 4,844 1,848 39,854 11,855 2,856 3,858 3,859 1,860 1,870 5.4,873 1,874 3,877 18.25,878 13.333,879 8.333,880 4.84,881 3.006,882 1.326,883 1.003,884 6.774,885 12.213,886 4.007,887 4.582,888 5.163,889 5.769,890 6.336,891 6.793,892 7.322,893 7.815,894 8.215,895 8.656,896 1,897 67,898 14.545,900 6.449,901 7.575,902 28.531,904 25.008,905 2.075,906 80.917,910 388.446,911 105.649,912 91.156,914 58.145,917 105.649,918 446.591,919 91.156,920 8.396,921 67.159,922 37.905,923 121.865,924 24.792,925 6.604,926 376.675,928 388.446,929 196.805,930 58.145,933 225.979,934 189.94,935 33,937 79.699,938 64.545,939 50.234,941 388.446,942 149.301,943 105.649,946 388.446,947 50.3,948 60.25,949 36.022,950 108.379,951 388.446,952 149.301,953 105.649,955 0.59,956 0.35,957 0.188,958 0.104,959 36,960 14,961 0.05,962 4,963 3,964 1.176,965 4.895,966 422.697,967 0.176,968 34,969 188.131,974 25.364,975 10.416,976 4.938,977 1.83,978 147.524,979 9.563,980 15.034,984 3.157,985 2.094,986 36.022,987 643.396,988 54,993 11.73,997 -0.258,999 74.392,1000 84.139,1001 0.256,1002 0.59,1003 0.778,1004 0.846,1005 0.846,1006 0.846,1007 5.303,1008 2.043,1009 6.301,1010 6.761,1011 4.89,1012 5.27,1013 2.54,1014 7.172,1015 4.801,1016 6.494,1017 1.879,1018 7.895,1019 5.638,1020 4.575,1021 5.13,1022 1.305,1023 8.33,1024 4.466,1025 7.815,1026 1.625,1027 9.593,1028 5.327,1029 6.575,1030 7.428,1031 3.016,1032 11.394,1033 6.408,1034 9.169,1035 1.488,1036 11.356,1037 4.577,1038 7.099,1039 8.154,1040 2.354,1041 13.399,1042 6.916,1043 10.559,1044 1.449,1045 13.163,1046 4.229,1047 8.568,1048 9.956,1049 3.72,1050 16.036,1051 8.338,1052 11.973,1053 1.115,1054 15.001,1055 3.384,1056 9.46,1057 11.089,1058 3.414,1059 18.357,1060 9.213,1061 13.405,1062 1,1063 16.863,1064 3.043,1065 10.737,1066 12.709,1067 4.529,1068 20.886,1069 10.454,1070 3.367,1071 1,1072 18.742,1073 2.372,1074 11.792,1075 14.044,1076 4.466,1077 23.323,1078 11.491,1079 3.277,1080 12.665,1081 20.634,1082 2.275,1083 13.002,1084 15.597,1085 5.398,1086 25.83,1087 12.672,1088 2.914,1089 11.626,1090 22.538,1091 4.638,1092 14.129,1093 17.031,1094 5.504,1095 28.312,1096 13.782,1097 2.821,1098 9.688,1099 24.451,1100 3.796,1101 15.319,1102 18.562,1103 6.306,1104 30.82,1105 14.948,1106 2.604,1107 8.983,1108 26.371,1109 3.404,1110 16.48,1111 20.045,1112 6.531,1113 33.322,1114 16.092,1115 2.492,1116 8.076,1117 28.298,1118 3.316,1119 17.666,1120 21.571,1121 7.242,1122 35.834,1123 17.258,1124 2.128,1125 7.313,1126 30.229,1127 3.165,1128 18.844,1129 23.078,1130 7.551,1131 38.346,1132 18.419,1133 23103,1134 35552,1135 31.205,1136 47.517,1137 68.638,1138 70.056,1139 70.496,1140 68.302,1141 68.359,1142 81.643,1143 10.973,1144 205.805,1145 65.248,1146 5.695,1147 5.826,1148 6.938,1149 5.459,1150 5.367,1151 7.638,1152 3.048,1153 20.236,1154 5.323,1155 12.804,1156 1.525,1157 1.557,1158 1.567,1159 1.518,1160 1.519,1161 1.814,1162 0.244,1163 4.573,1164 1.45,1165 4.149,1166 4.199,1167 4.122,1168 3.992,1169 7.431,1170 4.017,1171 3.915,1172 3.956,1173 3.847,1174 3.814,1175 5.136,1176 3.817,1177 3.902,1178 3.938,1179 3.807,1180 3.744,1181 4.8,1182 3.751,1183 3.846,1184 3.882,1185 3.762,1186 3.684,1187 4.752,1188 3.695,1189 3.588,1190 3.648,1191 3.485,1192 3.415,1193 4.67,1194 3.41,1195 3.541,1196 3.608,1197 3.423,1198 3.254,1199 4.483,1200 3.298,1201 3.297,1202 3.379,1203 3.205,1204 3.062,1205 4.205,1206 3.087,1207 3.169,1208 3.252,1209 3.052,1210 2.971,1211 4.062,1212 2.979,1213 0.104,1214 0.085,1215 0.16,1216 0.097,1217 0.075,1218 4.695,1219 0.103,1220 3.826,1221 0.037,1222 7.206,1223 0.281,1224 4.353,1225 0.074,1226 3.367,1227 4.638,1228 1.656,1229 12.665,1230 3.323,1231 1.957,1232 1.925,1233 2.076,1234 2.106,1235 1.464,1236 2.092,1237 1.881,1238 1.842,1239 2.021,1240 2.041,1241 1.255,1242 2.036,1243 1.779,1244 1.742,1245 1.899,1246 1.949,1247 1.221,1248 1.938,1249 1.609,1250 1.556,1251 1.86,1252 1.847,1253 1.163,1254 1.841,1255 1.604,1256 1.543,1257 1.852,1258 1.772,1259 1.105,1260 1.798,1261 1.553,1262 1.504,1263 1.712,1264 1.76,1265 0.89,1266 1.758,1267 1.423,1268 1.349,1269 1.681,1270 1.704,1271 0.825,1272 1.701,1273 1.265,1274 1.19,1275 1.513,1276 1.543,1277 0.691,1278 1.515,1279 4.511,1281 5.872,1282 3.045,1283 7.431,1284 5.416,1285 9.076,1286 7.516,1287 10.769,1289 1.594,1295 9.898,1296 5.378,1297 18.267,1299 0.706,1300 2.354,1301 -0.43,1305 45.384,1306 117.717,1307 270.878,1308 357.442,1309 388.745,1310 388.745,1311 388.745,1312 63.132,1313 9.208,1314 115.66,1315 115.66,1316 40,1317 13.183,1318 4.17,1319 3.322,1320 50.198,1321 178,1322 224,1323 0.133,1324 267.728,1325 464.78,1326 645.017,1327 136909,1329 26.399,1330 0.677,1331 0.571,1332 26.399,1333 22.266,1334 19.088,1335 0.424,1336 0.314,1337 13.867,1338 18.132,1339 13.668,1340 11.117,1341 19.088,1342 14.118,1343 17.669,1344 0.268,1345 0.167,1346 17.669,1347 11.033,1348 15.762,1349 0.171,1350 0.092,1351 15.762,1352 8.486,1353 13.516,1354 0.106,1355 0.051,1356 13.516,1357 6.425,1358 11.442,1359 0.067,1360 0.028,1361 11.442,1362 4.799,1363 0.207,1364 120.98,1365 0.179,1366 34.877,1367 0.371,1368 222,1369 615.833,1370 251.822,1371 575.003,1372 806.72,1373 546,1374 269,1375 616.279,1376 299.69,1377 607.599,1378 911.14,1379 577,1380 6.516}
{0 CHEMBL601895,1 1.677,2 13.226,3 3.239,4 10.492,5 118.271,6 8.591,7 0.629,8 4.042,9 4.143,10 3.776,11 3.66,12 5.193,13 3.637,14 4.539,15 4.673,16 4.127,17 4.038,18 5.707,19 3.992,20 4.735,21 4.918,22 4.137,23 4.099,24 5.817,25 4.038,26 4.717,27 4.922,28 4.089,29 4.06,30 5.816,31 3.992,32 4.707,33 4.893,34 4.096,35 4.076,36 5.881,37 4.003,38 4.671,39 4.833,40 4.049,41 4.104,42 5.75,43 4.006,44 4.681,45 4.879,46 3.871,47 4.023,48 5.687,49 3.902,50 4.604,51 4.844,52 3.654,53 3.825,54 5.612,55 3.688,56 0.053,57 0.756,58 8.17,59 4.276,60 7.421,61 4.808,62 0.308,63 1.224,64 16.842,65 7.482,66 26.559,67 8.346,68 0.336,69 1.479,70 23.675,71 8.924,72 33.977,73 10.535,74 0.26,75 1.444,76 22.672,77 8.806,78 33.538,79 10.806,80 0.463,81 1.417,82 25.513,83 9.199,84 52.863,85 10.174,86 0.287,87 1.352,88 24.158,89 9.839,90 30.974,91 10.884,92 0.25,93 1.32,94 23.094,95 9.737,96 30.022,97 11.922,98 0.355,99 1.194,100 24.518,101 9.458,102 42.362,103 12.202,104 2,105 48,106 0.276,107 0.647,108 0.804,109 0.869,110 0.884,111 0.884,112 3.472,113 0.921,114 -3.47,115 -3.45,116 -3.29,119 46,121 1,125 2,135 1,136 1,142 7,143 1,144 2,145 2,146 2,149 1,151 1,152 1,159 1,172 7,174 1,175 7,178 2,179 1,180 3,183 6,187 10,190 1,192 3,195 3,199 9,204 4,207 5,211 2,212 5,215 1,217 3,220 9,224 2,227 2,229 1,232 12,236 1,237 4,245 10,249 2,250 4,253 2,255 2,258 3,263 3,268 3,271 1,275 1657,276 21.585,277 21.585,278 21.585,279 21.585,280 21.585,281 18.667,282 17.561,283 13.04,284 22.195,285 17.363,286 17.363,287 17.363,288 17.363,289 17.363,290 12.959,291 22.902,292 6.279,293 18.32,294 3.967,295 1.719,296 0.768,297 0.375,298 0.28,299 0.28,300 4.186,304 1,305 1,306 918,307 3,310 77.637,311 387.3,314 135.359,318 2.089,319 24.935,322 1,323 1,324 1,325 0.6,327 1,328 1,329 0.8,330 66.5,331 410,332 4.624,333 3.562,334 6.731,335 4.141,336 3.193,337 4.553,338 1.656,339 11.011,340 3.028,341 4.161,342 3.241,343 6.107,344 3.768,345 2.792,346 3.776,347 1.151,348 8.933,349 2.725,350 3.973,351 2.839,352 5.766,353 3.607,354 2.643,355 3.478,356 0.247,357 7.813,358 2.54,359 3.911,360 2.689,361 5.567,362 3.468,363 2.505,364 3.336,366 7.629,367 2.406,368 3.759,369 2.543,370 5.323,371 3.35,372 2.39,373 3.176,375 6.922,376 2.29,377 3.404,378 2.384,379 4.691,380 2.941,381 1.953,382 2.657,384 5.114,385 1.916,386 3.131,387 2.234,388 4.665,389 2.713,390 1.79,391 2.326,393 4.788,394 1.648,395 2.966,396 1.568,397 4.402,398 2.422,399 1.5,400 2.172,402 4.229,403 1.379,404 2.842,405 1.535,406 3.715,407 2.331,408 1.374,409 1.973,411 2.994,412 1.306,413 2.546,414 1.519,415 3.569,416 2.122,417 1.235,418 1.566,420 2.918,421 1.08,422 2.5,423 1.458,424 3.453,425 2,426 1.047,427 1.5,428 2.391,429 1,430 2.5,431 1.063,432 3.414,433 1.969,434 1,435 1.5,436 2.275,437 0.963,438 2.446,439 1,440 3.337,441 1.956,442 1,443 1.417,445 2.136,446 0.953,447 2.111,448 1,449 3.247,450 1.932,451 1,452 1.045,454 2.136,455 0.904,456 1.961,457 0.676,458 3.247,459 1.438,460 0.55,461 0.772,463 1.5,464 0.479,465 15,466 0.484,467 0.585,468 0.019,469 44.75,470 1.444,471 24,472 0.774,473 20.75,474 0.669,475 22.82,476 0.736,477 31.2,478 0.624,479 32.418,480 1.046,481 8.765,482 0.283,483 6.494,484 0.209,485 0.022,487 0.3,493 0.823,494 1.163,495 0.688,496 0.881,497 0.628,498 0.811,499 0.948,500 1.043,501 0.92,502 0.942,503 0.66,504 0.925,505 1.087,506 1.137,507 0.945,508 0.982,509 1.008,510 0.974,511 0.935,512 1.058,513 0.807,514 0.857,515 0.882,516 0.894,517 1.222,518 0.819,519 1.162,520 0.905,521 1.528,522 0.879,523 0.938,524 1.018,525 1.311,526 1.286,527 1.145,528 1.189,529 0.75,530 1.081,531 1.099,532 1.193,533 0.712,534 1.238,535 0.586,536 0.927,537 0.947,538 1.051,539 0.508,540 1.09,541 5,542 0.129,543 2.667,544 1.5,545 1.359,546 1.066,547 0.562,548 0.202,549 0.206,550 0.205,551 14950,552 42240,553 2.2,554 38,556 12,557 1,558 2,559 2,561 2,564 1.733,565 2.138,566 3.644,567 0.225,569 1,573 83.831,574 1.677,575 3.924,576 4.876,577 5.269,578 5.364,579 5.364,580 3.075,581 4.503,582 4.923,583 3.843,584 1786.77,585 8.582,586 26132.2,588 1,590 1,591 282.193,592 1.058,593 4.918,594 0.143,595 0.006,596 0.056,597 0.032,598 0.03,599 0.024,600 0.013,601 0.006,602 0.007,603 0.009,604 0.325,605 0.33,606 0.88,607 0.32,608 163.032,609 -0.071,610 -0.102,611 0.057,612 0.013,613 -0.059,614 0.029,615 0.059,616 -0.001,617 -0.038,618 0.003,619 0.061,620 -0.047,621 -0.116,622 -0.117,623 -0.027,624 -0.046,625 -0.091,626 -0.041,627 -0.084,628 -0.038,629 0.082,630 0.051,631 0.046,632 0.059,633 -0.096,634 0.225,635 -0.102,636 0.109,637 -0.068,638 0.061,639 -0.065,640 -0.024,641 -0.24,642 -0.21,643 -0.132,644 -0.217,645 0.006,646 -0.144,647 -0.153,648 -0.202,649 -0.054,650 -0.226,651 0.228,652 -0.03,653 0.048,654 -0.053,655 0.207,656 -0.017,657 1.995,658 5.183,659 0.871,660 34.918,661 1.009,662 1.115,663 2.239,664 5.015,665 0.718,666 3.584,667 3.892,668 4.174,669 4.466,670 4.7,671 4.787,672 4.977,673 5.112,674 5.176,675 5.303,676 7.685,677 0.688,678 429.54,679 3.584,680 5.118,681 5.969,682 6.843,683 7.71,684 8.592,685 9.469,686 10.356,687 11.239,688 12.13,689 10,696 2,699 3,703 2,704 10,705 3,708 1,709 5,711 22,731 50,733 24,734 1,735 35,737 54,738 23,739 17,740 2,741 4,742 2,746 5,747 6,751 1,755 1,758 1,761 20,762 3,766 2,771 1,773 1,775 2,778 1,781 19,782 7,783 2,784 8,785 1,790 5,794 0.8,795 2,805 1,806 1,811 1,812 4,815 1,831 1,832 1,839 1,840 4,842 1,848 31,854 3,855 2,856 1,865 1,870 4,873 1,874 1,877 14.5,878 9.017,879 6.778,880 2.903,881 4.237,882 1.524,883 1.038,884 5.7,885 12.328,886 3.892,887 4.503,888 5.11,889 5.741,890 6.294,891 6.639,892 7.141,893 7.586,894 7.881,895 8.308,896 0.889,897 47,898 11.421,900 4.885,901 7.688,902 21.847,904 17.983,905 2.188,906 67.833,909 1,910 200.109,911 168.686,912 86.378,914 36.145,916 31.278,917 137.408,918 236.254,919 86.378,921 47.741,922 83.459,923 110.044,924 37.208,925 16.793,926 196.073,928 200.109,929 223.786,930 36.145,931 31.278,933 178.894,934 48.687,935 11,937 70.737,938 90.889,939 59.833,940 31.278,941 200.109,942 122.523,943 168.686,946 200.109,947 67.132,948 101.554,949 36.022,950 86.501,951 200.109,952 122.523,953 168.686,955 0.573,956 0.332,957 0.188,958 0.103,959 24,960 9,961 0.074,962 4,963 1,964 1.074,965 4.408,966 282.73,967 0.074,968 27,969 149.58,970 1,974 19.799,975 8.924,976 4.481,977 2.04,978 122.523,979 18.351,980 13.606,983 1.656,984 3.842,986 36.022,987 491.318,988 48,993 12.183,995 2.1,997 0.873,999 50.425,1000 55.737,1001 0.297,1002 0.695,1003 0.864,1004 0.934,1005 0.95,1006 0.95,1007 5.109,1008 1.5,1009 5.927,1010 4.788,1011 4.575,1012 5.19,1013 2.134,1014 6.713,1015 4.476,1016 6.309,1017 1.374,1018 7.459,1019 4.229,1020 4.007,1021 4.89,1022 1.195,1023 7.535,1024 3.902,1025 7.607,1026 1.235,1027 9.092,1028 2.994,1029 6.133,1030 7.403,1031 2.688,1032 10.664,1033 5.954,1034 8.943,1035 1.047,1036 10.788,1037 2.918,1038 6.431,1039 7.988,1040 2.324,1041 12.369,1042 6.229,1043 10.313,1044 1,1045 12.527,1046 2.391,1047 7.974,1048 9.922,1049 3.41,1050 14.992,1051 7.713,1052 11.708,1053 1,1054 14.296,1055 2.275,1056 8.689,1057 10.949,1058 3.407,1059 17.074,1060 8.389,1061 13.122,1062 1,1063 16.087,1064 2.136,1065 9.983,1066 12.633,1067 4.248,1068 19.531,1069 9.632,1070 3.193,1071 0.55,1072 17.894,1073 2.136,1074 10.908,1075 13.893,1076 4.464,1077 21.781,1078 10.507,1079 2.792,1080 11.011,1081 19.716,1082 1.5,1083 12.097,1084 15.467,1085 5.159,1086 24.185,1087 11.646,1088 2.643,1089 8.933,1090 21.548,1091 4.553,1092 13.129,1093 16.85,1094 5.504,1095 26.512,1096 12.623,1097 2.505,1098 7.813,1099 23.39,1100 3.776,1101 14.278,1102 18.38,1103 6.115,1104 28.903,1105 13.721,1106 2.39,1107 7.629,1108 25.24,1109 3.478,1110 15.364,1111 19.825,1112 6.531,1113 31.265,1114 14.751,1115 1.953,1116 6.922,1117 27.096,1118 3.336,1119 16.503,1120 21.339,1121 7.095,1122 33.655,1123 15.836,1124 1.79,1125 5.114,1126 28.958,1127 3.176,1128 17.617,1129 22.817,1130 7.551,1131 36.034,1132 16.893,1133 13700,1134 23182,1135 24.444,1136 35.915,1137 52.527,1138 53.426,1139 52.493,1140 51.98,1141 52.08,1142 70.662,1143 6.108,1144 145.953,1145 49.368,1146 5.545,1147 5.562,1148 6.533,1149 5.24,1150 5.193,1151 7.553,1152 2.912,1153 18.221,1154 5.028,1155 7.327,1156 1.501,1157 1.526,1158 1.5,1159 1.485,1160 1.488,1161 2.019,1162 0.175,1163 4.17,1164 1.411,1165 4.095,1166 4.116,1167 4.32,1168 4.068,1169 7.431,1170 4.032,1171 3.903,1172 3.94,1173 3.889,1174 3.832,1175 5.059,1176 3.82,1177 3.844,1178 3.879,1179 3.796,1180 3.739,1181 4.907,1182 3.747,1183 3.741,1184 3.772,1185 3.692,1186 3.634,1187 4.706,1188 3.621,1189 3.428,1190 3.471,1191 3.427,1192 3.192,1193 4.654,1194 3.224,1195 3.21,1196 3.256,1197 3.25,1198 3.017,1199 4.3,1200 3.041,1201 3.041,1202 3.13,1203 2.92,1204 2.882,1205 4.054,1206 2.86,1207 2.949,1208 2.998,1209 2.791,1210 2.777,1211 3.983,1212 2.779,1213 0.132,1214 0.102,1215 0.192,1216 0.118,1217 0.091,1218 4.624,1219 0.13,1220 3.562,1221 0.047,1222 6.731,1223 0.315,1224 4.141,1225 0.087,1226 3.193,1227 4.553,1228 1.656,1229 11.011,1230 3.028,1231 1.96,1232 1.935,1233 2.035,1234 2.068,1235 1.239,1236 2.06,1237 1.84,1238 1.812,1239 1.963,1240 1.986,1241 1.104,1242 1.977,1243 1.812,1244 1.775,1245 1.931,1246 1.937,1247 0.945,1248 1.942,1249 1.609,1250 1.573,1251 1.718,1252 1.779,1253 0.861,1254 1.764,1255 1.378,1256 1.372,1257 1.439,1258 1.557,1259 0.681,1260 1.517,1261 1.256,1262 1.213,1263 1.412,1264 1.427,1265 0.619,1266 1.483,1267 1.078,1268 0.993,1269 1.357,1270 1.295,1271 0.354,1272 1.347,1273 0.944,1274 0.904,1275 1.181,1276 1.117,1277 0.238,1278 1.124,1279 4.263,1281 5.572,1282 2.398,1283 7.079,1284 4.595,1285 8.675,1286 6.605,1287 10.32,1295 2.168,1296 5.563,1297 5.452,1305 34.411,1306 83.831,1307 196.223,1308 243.786,1309 263.438,1310 268.193,1311 268.193,1312 40.856,1313 8.091,1314 89.03,1315 117.27,1316 29,1317 12.66,1318 4.644,1319 3.807,1320 43.857,1321 143,1322 150,1323 0.147,1324 212.393,1325 360.47,1326 510,1327 40932,1329 21.045,1330 0.679,1331 0.56,1332 21.399,1333 17.355,1334 15.259,1335 0.436,1336 0.307,1337 9.813,1338 14.249,1339 9.562,1340 7.88,1341 15.713,1342 10.75,1343 13.51,1344 0.281,1345 0.165,1346 14.067,1347 7.899,1348 11.458,1349 0.179,1350 0.091,1351 12.147,1352 5.802,1353 9.973,1354 0.116,1355 0.049,1356 10.757,1357 4.241,1358 8.064,1359 0.074,1360 0.025,1361 8.66,1362 2.772,1363 0.236,1364 99.807,1365 0.202,1366 29.539,1367 0.391,1368 166,1369 491.933,1370 203.2,1371 498.51,1372 689.08,1373 470,1374 195,1375 494.926,1376 229.938,1377 516.513,1378 757.67,1379 487,1380 7.456}
{0 CHEMBL602184,1 1.494,2 17.953,3 3.116,4 9.707,5 168.822,6 6.812,7 0.458,8 4.547,9 4.677,10 4.048,11 4.02,12 5.528,13 3.998,14 5.14,15 5.344,16 4.388,17 4.429,18 6.05,19 4.384,20 5.383,21 5.609,22 4.455,23 4.61,24 6.248,25 4.518,26 5.501,27 5.77,28 4.431,29 4.64,30 6.307,31 4.522,32 5.446,33 5.701,34 4.463,35 4.629,36 6.292,37 4.528,38 5.439,39 5.68,40 4.463,41 4.621,42 6.341,43 4.532,44 5.381,45 5.609,46 4.432,47 4.629,48 6.225,49 4.526,50 5.46,51 5.702,52 4.387,53 4.663,54 6.272,55 4.537,56 0.05,57 1.3,58 20.159,59 7.635,60 11.177,61 10.999,62 0.525,63 2.104,64 39.2,65 12.178,66 35.925,67 18.16,68 0.547,69 2.552,70 49.938,71 16.701,72 48.889,73 24.978,74 0.682,75 2.718,76 57.31,77 18.41,78 55.659,79 28.32,80 0.476,81 2.663,82 53.489,83 17.091,84 53.743,85 26.699,86 0.884,87 2.655,88 53.945,89 15.944,90 73.704,91 24.789,92 0.453,93 2.58,94 49.344,95 16.764,96 42.856,97 25.46,98 0.631,99 2.646,100 54.177,101 18.775,102 51.225,103 27.835,104 18,105 66,106 0.224,107 0.526,108 0.741,109 0.817,110 0.832,111 0.832,112 3.787,113 0.965,114 -4.99,115 -4.9,116 -4.59,119 38.4,121 3,124 2,125 10,127 1,142 8,143 3,144 1,146 1,147 1,149 1,160 1,161 1,172 10,174 4,175 11,180 1,183 11,186 4,187 8,192 2,195 5,198 5,199 13,204 2,207 4,211 1,212 7,217 1,220 6,223 4,224 13,227 2,232 7,236 2,237 9,245 4,249 2,250 12,253 2,258 4,263 10,266 1,271 2,275 4516,276 29.747,277 29.747,278 29.747,279 29.747,280 29.747,281 27.29,282 42.049,283 17.807,284 30.65,285 23.711,286 23.711,287 23.711,288 23.711,289 23.711,290 19.834,291 56.521,292 8.477,293 25.181,294 4.933,295 2.917,296 1.48,297 0.974,298 0.878,299 0.878,300 4.504,305 1,306 1697,307 3.873,310 107.465,311 704.478,314 195.315,318 2.843,319 32.254,322 0.75,323 0.33,324 0.67,325 0.9,326 1,327 0.67,328 0.5,329 0.69,330 92.5,331 772,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.08,341 4.2,342 3.084,343 6.33,344 3.832,345 2.875,346 3.821,347 0.86,348 9.6,349 2.776,350 4.057,351 2.981,352 6.131,353 3.741,354 2.781,355 3.642,356 0.86,357 9.04,358 2.663,359 3.988,360 2.912,361 5.651,362 3.662,363 2.704,364 3.358,365 0.8,366 7.819,367 2.584,368 3.65,369 2.834,370 5.548,371 3.412,372 2.482,373 3.032,374 0.8,375 7.221,376 2.302,377 3.629,378 2.588,379 5.319,380 3.291,381 2.33,382 2.831,383 0.765,384 6.856,385 2.241,386 3.434,387 2.568,388 5.281,389 3.187,390 2.244,391 2.56,392 0.172,393 6.678,394 2.112,395 3.23,396 2.436,397 4.962,398 3.131,399 2.202,400 2.264,402 5.821,403 2.035,404 3.181,405 2.317,406 4.739,407 2.932,408 1.995,409 2.225,411 5.176,412 1.859,413 2.973,414 2.111,415 4.656,416 2.633,417 1.719,418 2.178,420 4.809,421 1.566,422 2.896,423 1.66,424 4.385,425 2.472,426 1.518,427 1.963,428 4.171,429 1.445,430 2.66,431 1.612,432 4.08,433 2.316,434 1.372,435 1.729,436 3.181,437 1.286,438 2.5,439 1.538,440 3.759,441 2.17,442 1.265,443 1.5,445 2.91,446 1.154,447 2.494,448 1.256,449 3.503,450 2.132,451 1.188,452 1.492,454 2.851,455 1.103,456 2.424,457 1.222,458 3.487,459 2,460 1.04,461 1.42,463 2.546,464 1,465 20.3,466 0.472,467 0.862,468 0.02,469 50.75,470 1.18,471 21,472 0.488,473 29.75,474 0.692,475 45.372,476 1.055,477 48.1,478 0.559,479 42.526,480 0.989,481 9.902,482 0.23,483 11.166,484 0.26,485 0.066,487 0.3,493 0.933,494 1.635,495 0.863,496 1.293,497 0.894,498 1.102,499 1.365,500 1.005,501 1.018,502 0.882,503 0.965,504 0.891,505 0.998,506 1.176,507 1.03,508 1.099,509 0.707,510 1.075,511 0.824,512 0.97,513 0.904,514 0.92,515 0.869,516 0.918,517 0.799,518 1.137,519 0.898,520 0.998,521 0.862,522 0.955,523 1.182,524 0.963,525 1.106,526 0.903,527 1.037,528 0.969,529 0.808,530 1.211,531 1.067,532 1.172,533 0.738,534 1.146,535 0.898,536 1.01,537 1.101,538 1.102,539 0.81,540 1.122,541 7.5,542 0.209,543 4,544 1.91,545 2.027,546 1.427,547 1.117,548 0.704,549 0.398,550 0.358,551 36011,552 79571,553 2.154,554 50,556 35,558 1,559 1,562 6,564 1.815,565 2.064,566 4.02,567 -0.392,573 128.458,574 1.494,575 3.509,576 4.947,577 5.452,578 5.548,579 5.548,580 3.543,581 5.054,582 5.385,583 4.276,584 3860.99,585 9.524,586 73518.5,591 552.659,592 1.211,593 5.379,594 0.156,595 0.005,596 0.061,597 0.028,598 0.031,599 0.021,600 0.016,601 0.011,602 0.006,603 0.007,604 0.341,605 0.17,606 0.63,607 1.105,608 251.811,609 -0.009,610 -0.355,611 0.086,612 -0.141,613 -0.02,614 -0.036,615 -0.125,616 0.159,617 -0.005,618 0.119,619 -0.03,620 0.08,621 -0.019,622 -0.093,623 -0.05,624 -0.076,625 0.057,626 -0.073,627 0.039,628 0.038,629 0.076,630 0.058,631 0.002,632 0.068,633 0.005,634 -0.087,635 0.073,636 -0.004,637 -0.013,638 0.04,639 -0.054,640 0.13,641 -0.096,642 0.057,643 -0.064,644 -0.013,645 -0.012,646 -0.103,647 -0.107,648 -0.14,649 -0.039,650 -0.133,651 -0.023,652 0.038,653 -0.133,654 -0.078,655 -0.042,656 -0.113,657 1.516,658 3.714,659 0.767,660 69.608,661 0.995,662 1.135,663 3.763,664 14.162,665 0.641,666 3.892,667 4.205,668 4.489,669 4.779,670 5.069,671 5.215,672 5.464,673 5.666,674 5.832,675 5.996,676 10.117,677 0.602,678 585.83,679 3.892,680 5.434,681 6.286,682 7.163,683 8.038,684 8.926,685 9.814,686 10.711,687 11.608,688 12.512,689 8.1,692 2,695 1,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,729 1,731 86,733 22,734 2,735 48,737 91,738 33,739 17,740 4,741 8,746 6,747 7,752 1,755 3,758 4,761 17,762 16,781 43,782 9,783 1,784 10,787 1,790 7,794 0.833,795 3,796 1,806 1,811 1,812 5,815 1,836 2,838 1,839 1,840 5,844 2,848 43,853 1,854 13,856 2,858 1,859 3,870 3.5,871 1,874 1,875 1,877 20.833,878 15.767,879 9.5,880 5.324,881 3.918,882 1.424,883 0.97,884 9.864,885 13.16,886 4.094,887 4.656,888 5.246,889 5.856,890 6.431,891 6.811,892 7.311,893 7.768,894 8.124,895 8.509,896 0.917,897 68,898 15.966,900 6.715,901 7.504,902 31.493,904 26.234,905 2.004,906 86.167,910 494.386,911 158.552,912 61.629,914 64.683,917 158.552,918 559.069,919 61.629,920 16.793,921 34.015,922 118.493,923 83.461,924 41.544,925 2.328,926 482.615,928 494.386,929 220.18,930 64.683,933 426.088,934 81.626,935 53.683,937 54.641,938 112.855,939 50.357,941 494.386,942 126.312,943 158.552,946 494.386,947 57.33,948 112.493,950 115.04,951 494.386,952 126.312,953 158.552,955 0.573,956 0.328,957 0.178,958 0.102,959 31,960 13,961 0.121,962 11,963 1,964 1.061,965 5.327,966 443.673,967 0.061,968 33,969 216.574,974 29.982,975 14.146,976 7.363,977 1.718,978 124.413,979 18.35,980 14.923,984 5.513,985 2.264,986 42.683,987 779.25,988 59,999 85.599,1000 97.59,1001 0.232,1002 0.546,1003 0.77,1004 0.848,1005 0.863,1006 0.863,1007 5.34,1008 2.202,1009 6.252,1010 6.678,1011 4.89,1012 5.345,1013 2.146,1014 7.048,1015 4.777,1016 6.509,1017 1.995,1018 7.794,1019 5.821,1020 4.369,1021 5.075,1022 0.766,1023 7.915,1024 4.2,1025 7.798,1026 1.719,1027 9.436,1028 5.176,1029 6.463,1030 7.504,1031 1.749,1032 11.035,1033 6.245,1034 9.123,1035 1.518,1036 11.14,1037 4.809,1038 6.792,1039 8.141,1040 0.74,1041 12.783,1042 6.514,1043 10.488,1044 1.372,1045 12.887,1046 4.171,1047 8.317,1048 10.028,1049 1.45,1050 15.423,1051 7.994,1052 11.879,1053 1.265,1054 14.664,1055 3.181,1056 9.056,1057 11.105,1058 0.632,1059 17.551,1060 8.668,1061 13.293,1062 1.188,1063 16.465,1064 2.91,1065 10.346,1066 12.77,1067 1.199,1068 20.04,1069 9.91,1070 3.289,1071 1.04,1072 18.283,1073 2.851,1074 11.294,1075 14.072,1076 0.524,1077 22.337,1078 10.79,1079 2.875,1080 11.617,1081 20.117,1082 2.546,1083 12.489,1084 15.644,1085 0.986,1086 24.782,1087 11.932,1088 2.781,1089 9.6,1090 21.963,1091 4.638,1092 13.543,1093 17.06,1094 0.43,1095 27.156,1096 12.917,1097 2.704,1098 9.04,1099 23.819,1100 3.821,1101 14.706,1102 18.598,1103 0.804,1104 29.591,1105 14.021,1106 2.482,1107 7.819,1108 25.685,1109 3.642,1110 15.816,1111 20.07,1112 0.353,1113 32.002,1114 15.06,1115 2.33,1116 7.221,1117 27.558,1118 3.358,1119 16.973,1120 21.597,1121 0.652,1122 34.438,1123 16.153,1124 2.244,1125 6.856,1126 29.438,1127 3.032,1128 18.112,1129 23.098,1130 0.29,1131 36.867,1132 17.221,1133 33666,1134 50299,1135 32.997,1136 55.109,1137 71.522,1138 72.26,1139 72.494,1140 71.43,1141 71.42,1142 88.037,1143 10.347,1144 201.638,1145 67.304,1146 5.694,1147 5.38,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.08,1155 17.277,1156 1.49,1157 1.505,1158 1.51,1159 1.488,1160 1.488,1161 1.834,1162 0.216,1163 4.201,1164 1.402,1165 4.144,1166 4.196,1167 4.118,1168 3.986,1169 6.457,1170 4.01,1171 3.944,1172 3.979,1173 3.878,1174 3.859,1175 5.14,1176 3.859,1177 3.899,1178 3.931,1179 3.838,1180 3.812,1181 4.848,1182 3.818,1183 3.789,1184 3.845,1185 3.682,1186 3.621,1187 4.713,1188 3.627,1189 3.703,1190 3.78,1191 3.58,1192 3.507,1193 4.618,1194 3.506,1195 3.69,1196 3.749,1197 3.549,1198 3.481,1199 4.436,1200 3.497,1201 3.383,1202 3.457,1203 3.272,1204 3.157,1205 4.391,1206 3.171,1207 3.324,1208 3.388,1209 3.191,1210 3.115,1211 4.3,1212 3.124,1213 0.098,1214 0.07,1215 0.144,1216 0.088,1217 0.069,1218 4.694,1219 0.097,1220 3.38,1221 0.019,1222 6.903,1223 0.242,1224 4.225,1225 0.064,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.08,1231 1.962,1232 1.931,1233 2.081,1234 2.108,1235 1.432,1236 2.097,1237 1.925,1238 1.895,1239 2.04,1240 2.049,1241 1.22,1242 2.047,1243 1.835,1244 1.79,1245 1.987,1246 1.971,1247 1.215,1248 1.978,1249 1.761,1250 1.71,1251 1.931,1252 1.957,1253 1.154,1254 1.956,1255 1.67,1256 1.596,1257 1.92,1258 1.894,1259 1.136,1260 1.908,1261 1.569,1262 1.519,1263 1.691,1264 1.782,1265 0.85,1266 1.763,1267 1.368,1268 1.293,1269 1.676,1270 1.636,1271 0.825,1272 1.643,1273 1.323,1274 1.237,1275 1.516,1276 1.584,1277 0.825,1278 1.577,1279 4.575,1281 5.889,1282 2.398,1283 7.398,1284 4.727,1285 8.997,1286 6.862,1287 10.648,1289 4.172,1294 9.714,1295 10.704,1297 11.521,1299 0.322,1300 6.965,1305 51.777,1306 128.458,1307 301.79,1308 425.4,1309 468.884,1310 477.149,1311 477.149,1312 69.274,1313 9.242,1314 92.01,1315 92.01,1316 35,1317 13.033,1318 4.524,1319 3.585,1320 64.171,1321 254,1322 337,1323 0.119,1324 313.232,1325 538.67,1326 756.047,1327 163960,1329 29.597,1330 0.688,1331 0.59,1332 29.597,1333 25.36,1334 21.068,1335 0.439,1336 0.322,1337 15.168,1338 20.113,1339 14.805,1340 12.208,1341 21.068,1342 15.434,1343 18.645,1344 0.282,1345 0.179,1346 18.645,1347 11.809,1348 15.729,1349 0.179,1350 0.095,1351 15.729,1352 8.38,1353 13.253,1354 0.112,1355 0.051,1356 13.253,1357 5.978,1358 11.299,1359 0.072,1360 0.027,1361 11.299,1362 4.248,1363 0.193,1364 132.8,1365 0.174,1366 38.722,1367 0.31,1368 228,1369 601.137,1370 250.57,1371 572.649,1372 795.48,1373 544,1374 268,1375 585.564,1376 293.515,1377 594.147,1378 876.63,1379 557,1380 6.523}
{0 CHEMBL602276,1 1.571,2 12.722,3 2.634,4 6.938,5 134.669,6 7.126,7 0.39,8 4.352,9 4.481,10 3.895,11 3.822,12 5.35,13 3.814,14 4.962,15 5.148,16 4.29,17 4.259,18 5.927,19 4.228,20 5.245,21 5.472,22 4.334,23 4.413,24 6.143,25 4.346,26 5.274,27 5.532,28 4.274,29 4.406,30 6.175,31 4.319,32 5.193,33 5.44,34 4.293,35 4.398,36 6.099,37 4.318,38 5.166,39 5.392,40 4.32,41 4.403,42 6.098,43 4.339,44 5.167,45 5.384,46 4.322,47 4.409,48 6.097,49 4.339,50 5.219,51 5.457,52 4.211,53 4.438,54 6.103,55 4.326,56 0.059,57 1.086,58 15.572,59 6.021,60 11.143,61 8.502,62 0.477,63 1.766,64 31.484,65 10.354,66 37.954,67 14.965,68 0.615,69 2.148,70 43.709,71 13.064,72 53.977,73 19.862,74 0.711,75 2.195,76 45.717,77 13.01,78 64.347,79 20.45,80 0.498,81 2.088,82 41.178,83 12.863,84 52.284,85 20.069,86 0.521,87 2.118,88 39.403,89 11.84,90 51.247,91 18.402,92 0.559,93 2.112,94 39.141,95 12.063,96 45.272,97 18.677,98 0.579,99 2.116,100 41.818,101 14.381,102 59.313,103 21.315,104 16,105 59,106 0.246,107 0.572,108 0.751,109 0.8,110 0.818,111 0.818,112 3.616,113 0.943,114 -4.6,115 -4.52,116 -4.26,119 37.7,121 6,124 2,125 2,127 4,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 13,178 2,179 1,180 2,183 6,186 2,187 12,192 2,195 4,198 5,199 12,204 3,207 3,211 2,212 12,217 2,220 6,223 1,224 11,227 2,229 1,232 4,236 4,237 14,245 8,249 2,250 2,253 4,255 1,258 12,262 2,263 5,266 1,271 12,275 2486,276 24.961,277 24.961,278 24.961,279 24.961,280 24.961,281 23.073,282 31.81,283 14.419,284 25.666,285 20.156,286 20.156,287 20.156,288 20.156,289 20.156,290 17.091,291 39.59,292 6.77,293 21.217,294 4.537,295 2.465,296 1.323,297 1.007,298 0.891,299 0.891,300 4.335,305 1,306 1019,307 3.464,310 162.315,311 403.945,312 107.675,314 146.631,318 1.778,319 32.233,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 78.5,331 458,332 4.695,333 3.54,334 6.906,335 4.243,336 3.295,337 4.638,338 1.656,339 11.631,340 3.124,341 4.184,342 3.416,343 6.35,344 3.864,345 2.93,346 3.796,347 0.86,348 9.703,349 2.762,350 4.039,351 3.2,352 6.114,353 3.798,354 2.829,355 3.376,356 0.86,357 8.983,358 2.718,359 3.838,360 2.936,361 5.779,362 3.611,363 2.652,364 3.166,365 0.8,366 8.099,367 2.533,368 3.731,369 2.786,370 5.467,371 3.471,372 2.507,373 2.807,374 0.247,375 7.313,376 2.408,377 3.508,378 2.746,379 5.461,380 3.351,381 2.419,382 2.686,384 7.067,385 2.247,386 3.45,387 2.422,388 5.25,389 3.036,390 2.068,391 2.56,393 6.441,394 2.003,395 3.168,396 2.255,397 4.879,398 2.982,399 2.028,400 2.239,402 5.638,403 1.912,404 2.959,405 2.093,406 4.782,407 2.839,408 1.879,409 2.158,411 5.327,412 1.794,413 2.879,414 1.605,415 4.671,416 2.44,417 1.488,418 1.879,420 4.513,421 1.412,422 2.67,423 1.535,424 4.401,425 2.393,426 1.452,427 1.703,428 4.218,429 1.363,430 2.53,431 1.218,432 4.051,433 2.061,434 1.114,435 1.54,436 3.058,437 1.052,438 2.5,439 1.1,440 3.664,441 2,442 1,443 1.5,445 2.275,446 1,447 2.09,448 1.011,449 3.414,450 2,451 1,452 1,454 2.275,455 1,456 2,457 1,458 3.414,459 1.737,460 0.795,461 0.979,463 2.092,464 0.745,465 16.8,466 0.467,467 0.824,468 0.023,469 41.75,470 1.16,471 16.5,472 0.458,473 25.25,474 0.701,475 37.782,476 1.05,477 40.2,478 0.583,479 33.272,480 0.924,481 7.668,482 0.213,483 9.938,484 0.276,485 0.079,487 0.375,493 0.822,494 1.517,495 0.801,496 1.248,497 0.624,498 1.051,499 1.052,500 1.132,501 0.918,502 1.023,503 0.658,504 0.963,505 1.208,506 1.189,507 1.012,508 1.005,509 0.898,510 0.987,511 1.008,512 0.925,513 1.005,514 0.87,515 1.002,516 0.914,517 0.752,518 1.082,519 0.849,520 0.929,521 0.866,522 0.899,523 0.95,524 1.081,525 1.028,526 0.984,527 0.893,528 0.993,529 0.867,530 1.193,531 1.067,532 1.109,533 0.628,534 1.103,535 0.702,536 0.938,537 1.077,538 1.105,539 0.594,540 1.137,541 7.5,542 0.309,543 3.778,544 1.882,545 1.68,546 1.497,547 0.932,548 0.56,549 0.437,550 0.352,551 19559,552 46219,553 2.185,554 47.8,556 18,558 1,559 2,561 12,564 1.781,565 2.077,566 3.562,567 0.204,573 108.405,574 1.571,575 3.644,576 4.786,577 5.101,578 5.217,579 5.217,580 3.027,581 4.593,582 5.131,583 3.763,584 2370.88,585 9.065,586 36885.4,591 421.488,592 1.301,593 5.116,594 0.183,595 0.008,596 0.064,597 0.031,598 0.03,599 0.025,600 0.016,601 0.009,602 0.008,603 0.007,604 0.383,605 0.17,606 0.75,607 0.961,608 194.203,609 0.001,610 -0.222,611 0.087,612 -0.102,613 0.01,614 -0.01,615 0.037,616 0.019,617 0.043,618 0.016,619 0.098,620 0.022,621 -0.12,622 -0.151,623 -0.026,624 -0.01,625 -0.012,626 -0.01,627 -0.083,628 0.114,629 -0.02,630 0.077,631 -0.053,632 0.045,633 0.019,634 -0.035,635 0.105,636 0.077,637 -0.018,638 0.103,639 -0.091,640 0.05,641 -0.073,642 0.006,643 -0.101,644 -0.02,645 -0.001,646 -0.057,647 -0.119,648 -0.102,649 -0.027,650 -0.122,651 0.03,652 0.13,653 -0.14,654 -0.075,655 0.048,656 -0.124,657 1.92,658 4.678,659 0.806,660 44.062,661 1.003,662 1.138,663 3.374,664 11.381,665 0.642,666 3.738,667 4.094,668 4.419,669 4.736,670 5.024,671 5.236,672 5.476,673 5.687,674 5.897,675 6.1,676 7.387,677 0.611,678 491.66,679 3.738,680 5.303,681 6.18,682 7.079,683 7.974,684 8.882,685 9.787,686 10.702,687 11.614,688 12.532,689 10.1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 69,733 17,734 1,735 41,737 74,738 26,739 11,740 2,741 4,746 6,747 8,751 1,755 10,758 10,761 12,762 14,766 1,771 1,775 1,781 33,782 9,783 2,784 10,790 7,794 0.667,795 3,801 1,803 1,806 1,811 2,812 4,813 1,815 1,839 2,840 4,844 2,848 36,854 8,855 2,856 2,858 4,859 1,870 4.3,873 1,874 2,877 17.333,878 12.75,879 7.833,880 4.396,881 3.054,882 1.348,883 0.997,884 6.652,885 11.827,886 3.932,887 4.508,888 5.104,889 5.724,890 6.3,891 6.766,892 7.297,893 7.787,894 8.176,895 8.608,896 0.889,897 60,898 13.384,900 5.831,901 7.583,902 26.226,904 22.64,905 2.083,906 75,910 364.904,911 104.813,912 91.156,914 47.145,917 104.813,918 412.049,919 91.156,920 19.279,921 55.44,922 37.905,923 110.865,924 24.792,925 6.604,926 353.133,928 364.904,929 195.969,930 47.145,933 225.979,934 166.398,935 22,937 67.979,938 75.428,939 50.234,941 364.904,942 138.301,943 104.813,946 364.904,947 38.581,948 71.133,949 36.022,950 97.379,951 364.904,952 138.301,953 104.813,955 0.585,956 0.348,957 0.186,958 0.103,959 31,960 13,961 0.068,962 5,963 3,964 1.172,965 4.619,966 372.262,967 0.207,968 28,969 172.117,974 23.805,975 10.06,976 4.764,977 1.87,978 136.525,979 9.574,980 14.936,984 3.2,985 2.104,986 36.022,987 608.018,988 50,993 11.678,997 -0.253,999 69.181,1000 78.514,1001 0.257,1002 0.596,1003 0.783,1004 0.835,1005 0.854,1006 0.854,1007 5.209,1008 2.028,1009 6.172,1010 6.441,1011 4.779,1012 5.196,1013 2.274,1014 7.009,1015 4.68,1016 6.392,1017 1.879,1018 7.742,1019 5.638,1020 4.369,1021 5.017,1022 1.305,1023 7.928,1024 4.217,1025 7.698,1026 1.488,1027 9.407,1028 5.327,1029 6.402,1030 7.357,1031 2.627,1032 11.047,1033 6.202,1034 9.036,1035 1.452,1036 11.128,1037 4.513,1038 6.815,1039 8.064,1040 2.354,1041 12.804,1042 6.554,1043 10.41,1044 1.114,1045 12.886,1046 4.218,1047 8.297,1048 9.895,1049 3.315,1050 15.448,1051 7.995,1052 11.809,1053 1,1054 14.671,1055 3.058,1056 9.091,1057 11.027,1058 3.414,1059 17.576,1060 8.726,1061 13.228,1062 1,1063 16.477,1064 2.275,1065 10.36,1066 12.665,1067 4.177,1068 20.067,1069 9.952,1070 3.295,1071 0.795,1072 18.299,1073 2.275,1074 11.34,1075 14.005,1076 4.466,1077 22.363,1078 10.87,1079 2.93,1080 11.631,1081 20.135,1082 2.092,1083 12.527,1084 15.568,1085 5.117,1086 24.808,1087 12.012,1088 2.829,1089 9.703,1090 21.982,1091 4.638,1092 13.598,1093 17.008,1094 5.504,1095 27.181,1096 13.023,1097 2.652,1098 8.983,1099 23.839,1100 3.796,1101 14.759,1102 18.545,1103 6.093,1104 29.616,1105 14.135,1106 2.507,1107 8.099,1108 25.705,1109 3.376,1110 15.877,1111 20.032,1112 6.531,1113 32.026,1114 15.195,1115 2.419,1116 7.313,1117 27.578,1118 3.166,1119 17.034,1120 21.562,1121 7.084,1122 34.463,1123 16.301,1124 2.068,1125 7.067,1126 29.458,1127 2.807,1128 18.176,1129 23.071,1130 7.551,1131 36.891,1132 17.387,1133 18120,1134 28001,1135 28.145,1136 44.302,1137 62.192,1138 63.732,1139 63.735,1140 61.872,1141 61.944,1142 75.231,1143 8.846,1144 183.242,1145 58.868,1146 5.695,1147 5.54,1148 6.457,1149 5.35,1150 5.295,1151 7.638,1152 2.912,1153 19.199,1154 5.124,1155 14.871,1156 1.517,1157 1.554,1158 1.555,1159 1.509,1160 1.511,1161 1.835,1162 0.216,1163 4.469,1164 1.436,1165 4.147,1166 4.197,1167 4.12,1168 3.991,1169 7.431,1170 4.015,1171 3.905,1172 3.952,1173 3.845,1174 3.812,1175 5.136,1176 3.815,1177 3.902,1178 3.937,1179 3.802,1180 3.74,1181 4.753,1182 3.745,1183 3.799,1184 3.845,1185 3.69,1186 3.663,1187 4.67,1188 3.665,1189 3.548,1190 3.616,1191 3.47,1192 3.255,1193 4.642,1194 3.3,1195 3.364,1196 3.431,1197 3.272,1198 3.111,1199 4.481,1200 3.138,1201 3.223,1202 3.304,1203 3.064,1204 2.977,1205 4.205,1206 2.988,1207 3.168,1208 3.25,1209 3.041,1210 2.966,1211 4.066,1212 2.97,1213 0.115,1214 0.086,1215 0.168,1216 0.103,1217 0.08,1218 4.695,1219 0.113,1220 3.54,1221 0.04,1222 6.906,1223 0.284,1224 4.243,1225 0.076,1226 3.295,1227 4.638,1228 1.656,1229 11.631,1230 3.124,1231 1.957,1232 1.925,1233 2.082,1234 2.101,1235 1.476,1236 2.088,1237 1.874,1238 1.828,1239 2.021,1240 2.024,1241 1.255,1242 2.029,1243 1.777,1244 1.737,1245 1.898,1246 1.947,1247 1.221,1248 1.937,1249 1.604,1250 1.543,1251 1.86,1252 1.796,1253 1.106,1254 1.798,1255 1.569,1256 1.525,1257 1.716,1258 1.76,1259 0.909,1260 1.772,1261 1.423,1262 1.349,1263 1.685,1264 1.719,1265 0.825,1266 1.709,1267 1.346,1268 1.28,1269 1.603,1270 1.638,1271 0.765,1272 1.618,1273 1.157,1274 1.078,1275 1.513,1276 1.463,1277 0.688,1278 1.467,1279 4.419,1281 5.765,1282 3.045,1283 7.305,1284 5.416,1285 8.93,1286 7.516,1287 10.606,1289 3.391,1295 7.966,1296 5.367,1297 11.676,1299 1.136,1300 2.356,1305 42.143,1306 108.405,1307 251.402,1308 330.204,1309 351.978,1310 359.978,1311 359.978,1312 57.326,1313 8.773,1314 106.43,1315 106.43,1316 34,1317 13.043,1318 4.17,1319 3.322,1320 48.721,1321 157,1322 194,1323 0.151,1324 251.941,1325 433.75,1326 606.495,1327 79547,1329 24.648,1330 0.685,1331 0.578,1332 24.648,1333 20.814,1334 17.606,1335 0.429,1336 0.314,1337 12.658,1338 16.746,1339 12.415,1340 10.186,1341 17.606,1342 12.886,1343 15.96,1344 0.271,1345 0.17,1346 15.96,1347 10.007,1348 14.225,1349 0.173,1350 0.094,1351 14.225,1352 7.728,1353 12.059,1354 0.107,1355 0.051,1356 12.059,1357 5.758,1358 10.048,1359 0.067,1360 0.028,1361 10.048,1362 4.168,1363 0.234,1364 111.494,1365 0.188,1366 32.598,1367 0.424,1368 200,1369 550.098,1370 224.065,1371 519.704,1372 725.3,1373 492,1374 241,1375 549.006,1376 266.374,1377 547.914,1378 813.04,1379 517,1380 5.932}
{0 CHEMBL602682,1 1.651,2 11.226,3 1.065,4 1.134,5 113.528,6 7.563,7 0.457,8 4.16,9 4.287,10 3.742,11 3.61,12 5.244,13 3.622,14 4.731,15 4.911,16 4.128,17 4.027,18 5.799,19 4.019,20 4.982,21 5.201,22 4.15,23 4.153,24 5.987,25 4.11,26 4.961,27 5.204,28 4.096,29 4.127,30 5.993,31 4.071,32 4.872,33 5.085,34 4.13,35 4.123,36 5.934,37 4.08,38 4.905,39 5.111,40 4.124,41 4.159,42 5.928,43 4.117,44 4.943,45 5.153,46 4.083,47 4.166,48 5.947,49 4.092,50 4.979,51 5.237,52 3.895,53 4.098,54 5.925,55 3.978,56 0.123,57 0.904,58 11.719,59 4.505,60 12.223,61 6.199,62 0.492,63 1.43,64 23.489,65 7.556,66 37.577,67 10.768,68 0.693,69 1.67,70 32.77,71 9.403,72 55.043,73 14.14,74 0.67,75 1.653,76 32.228,77 9.044,78 59.724,79 13.974,80 0.444,81 1.566,82 28.111,83 9.072,84 45.638,85 13.584,86 0.514,87 1.652,88 28.607,89 8.594,90 42.525,91 12.759,92 0.585,93 1.644,94 29.917,95 9.757,96 41.663,97 14.597,98 0.584,99 1.518,100 33.541,101 11.222,102 59.47,103 16.608,104 19,105 50,106 0.27,107 0.653,108 0.804,109 0.832,110 0.832,111 0.832,112 3.473,113 0.899,114 -3.55,115 -3.52,116 -3.36,119 37.5,121 2,124 1,125 4,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 2,183 4,186 2,187 6,190 1,192 2,195 2,198 5,199 8,202 1,204 3,207 1,211 1,212 10,215 1,217 3,220 4,224 7,227 2,229 1,232 2,236 3,237 9,240 2,242 1,245 2,249 2,250 2,253 4,255 3,258 4,263 2,266 1,268 2,271 4,275 1656,276 21.444,277 21.444,278 21.444,279 21.444,280 21.444,281 19.531,282 25.225,283 12.564,284 22.014,285 17.233,286 17.233,287 17.233,288 17.233,289 17.233,290 14.141,291 32.439,292 5.885,293 18.17,294 4.156,295 1.819,296 0.898,297 0.728,298 0.728,299 0.728,300 4.182,304 1,305 1,306 771,307 3.464,310 138.644,311 248.958,312 90.817,314 125.115,318 1.767,319 32.227,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 68.5,331 348,332 4.675,333 3.54,334 6.846,335 4.212,336 3.265,337 4.627,338 1.656,339 11.419,340 3.094,341 4.171,342 3.399,343 6.154,344 3.816,345 2.883,346 3.792,347 0.86,348 9.125,349 2.737,350 3.987,351 3.15,352 6.11,353 3.764,354 2.792,355 3.321,356 0.8,357 8.948,358 2.659,359 3.831,360 2.797,361 5.652,362 3.491,363 2.534,364 3.161,365 0.247,366 7.74,367 2.421,368 3.652,369 2.727,370 5.465,371 3.382,372 2.449,373 2.769,375 7.313,376 2.276,377 3.45,378 2.413,379 5.023,380 3.033,381 2.05,382 2.684,384 5.638,385 2.003,386 2.998,387 2.093,388 4.879,389 2.839,390 1.879,391 2.168,393 5.534,394 1.794,395 2.956,396 2.028,397 4.781,398 2.743,399 1.799,400 2.078,402 5.325,403 1.693,404 2.879,405 1.548,406 4.426,407 2.44,408 1.488,409 1.879,411 4.269,412 1.412,413 2.629,414 1.535,415 4.298,416 2.223,417 1.297,418 1.673,420 3.675,421 1.198,422 2.5,423 1.213,424 3.665,425 2,426 1.034,427 1.5,428 2.303,429 1,430 2.3,431 1.1,432 3.414,433 1.97,434 1,435 1.262,436 2.275,437 0.962,438 1.997,439 1,440 3.271,441 1.712,442 0.773,443 0.91,445 1.707,446 0.72,447 1.692,448 0.964,449 3.156,450 1.556,451 0.647,452 0.679,454 1.495,455 0.583,456 1.519,457 0.889,458 2.891,459 1.328,460 0.402,461 0.43,463 0.621,464 0.37,465 14.3,466 0.461,467 0.704,468 0.023,469 38.5,470 1.242,471 16.5,472 0.532,473 22,474 0.71,475 27.378,476 0.883,477 34.3,478 0.613,479 30.342,480 0.979,481 7.485,482 0.241,483 7.655,484 0.247,485 0.082,487 0.371,493 0.877,494 1.521,495 0.769,496 1.193,497 0.736,498 0.991,499 0.961,500 1.115,501 0.883,502 0.988,503 0.689,504 0.928,505 1.136,506 1.152,507 0.987,508 0.943,509 0.867,510 0.943,511 0.882,512 0.893,513 0.973,514 0.863,515 0.862,516 0.906,517 0.776,518 1.193,519 0.834,520 1.034,521 0.803,522 0.952,523 1.07,524 1.075,525 1.12,526 1.024,527 0.894,528 1.05,529 0.72,530 1.21,531 1.093,532 1.24,533 0.562,534 1.233,535 0.599,536 0.876,537 0.972,538 1.127,539 0.554,540 1.123,541 6.5,542 0.252,543 3.111,544 1.729,545 1.453,546 1.341,547 0.644,548 0.467,549 0.357,550 0.208,551 12779,552 34547,553 2.16,554 44.6,556 17,558 1,559 3,561 4,564 1.742,565 2.044,566 3.407,567 0.94,568 1,569 1,573 92.47,574 1.651,575 3.989,576 4.91,577 5.08,578 5.08,579 5.08,580 2.882,581 4.543,582 4.918,583 3.618,584 1682.52,585 8.624,586 23449.5,588 1,591 325.212,592 1.332,593 4.896,594 0.186,595 0.011,596 0.062,597 0.035,598 0.031,599 0.027,600 0.013,601 0.01,602 0.01,603 0.007,604 0.392,605 0.33,606 0.88,607 1.156,608 159.418,609 -0.064,610 -0.24,611 0.06,612 -0.083,613 -0.065,614 -0.004,615 0.019,616 0.043,617 0.031,618 0.028,619 0.035,620 0.027,621 -0.111,622 -0.122,623 -0.019,624 0.042,625 -0.043,626 0.024,627 -0.037,628 0.168,629 -0.014,630 0.086,631 -0.018,632 0.051,633 0.018,634 -0.118,635 0.088,636 -0.001,637 0.025,638 0.051,639 -0.205,640 0.068,641 -0.204,642 -0.035,643 -0.151,644 -0.096,645 0.068,646 -0.118,647 -0.18,648 -0.216,649 0.004,650 -0.242,651 0.13,652 0.08,653 -0.013,654 -0.106,655 0.119,656 -0.089,657 1.942,658 4.537,659 0.742,660 33.041,661 1.012,662 1.14,663 2.317,664 5.368,665 0.647,666 3.584,667 3.932,668 4.248,669 4.575,670 4.844,671 5.043,672 5.263,673 5.447,674 5.609,675 5.762,676 6.706,677 0.626,678 423.53,679 3.584,680 5.142,681 6.014,682 6.913,683 7.806,684 8.714,685 9.617,686 10.531,687 11.44,688 12.357,689 12.5,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 56,733 17,734 1,735 35,737 60,738 21,739 11,740 2,741 4,746 5,747 7,751 1,752 1,755 4,758 4,761 12,762 9,766 1,771 1,775 1,778 1,781 25,782 9,783 3,784 10,790 7,794 0.6,795 3,796 1,801 1,803 1,806 1,811 2,812 3,813 1,815 1,838 1,839 1,840 3,844 1,848 31,853 1,854 6,855 2,856 1,858 2,859 1,870 5.4,871 1,873 1,874 1,877 15.167,878 10.117,879 6.806,880 3.39,881 3.135,882 1.38,883 0.986,884 5.587,885 11.39,886 3.807,887 4.404,888 5.015,889 5.65,890 6.223,891 6.67,892 7.188,893 7.659,894 8.012,895 8.414,896 1,897 50,898 11.481,900 4.985,901 7.753,902 22.028,904 18.602,905 2.253,906 69.833,910 258.964,911 85.897,912 91.156,914 78.828,917 85.897,918 337.792,919 91.156,920 8.396,921 47.408,922 80.588,923 99.865,924 24.792,925 6.604,926 247.193,928 258.964,929 177.054,930 78.828,933 214.208,934 72.229,935 53.683,937 59.947,938 64.545,939 50.234,941 258.964,942 169.985,943 85.897,946 258.964,947 30.548,948 60.25,949 36.022,950 129.062,951 258.964,952 169.985,953 85.897,955 0.579,956 0.342,957 0.19,958 0.106,959 26,960 11,961 0.083,962 5,963 3,964 1.217,965 4.207,966 297.436,967 0.261,968 22,969 143.58,974 20.338,975 8.517,976 4.019,977 1.567,978 168.208,979 9.172,980 14.103,984 2.933,985 1.709,986 78.705,987 514.846,988 44,993 11.537,997 -0.275,999 56.647,1000 63.853,1001 0.284,1002 0.687,1003 0.845,1004 0.875,1005 0.875,1006 0.875,1007 5.069,1008 1.799,1009 6.004,1010 5.534,1011 4.615,1012 5.091,1013 2.109,1014 6.841,1015 4.511,1016 6.263,1017 1.488,1018 7.572,1019 5.325,1020 4.205,1021 4.934,1022 1.305,1023 7.751,1024 4.054,1025 7.574,1026 1.297,1027 9.236,1028 4.269,1029 6.232,1030 7.293,1031 2.545,1032 10.875,1033 6.025,1034 8.92,1035 1.034,1036 10.956,1037 3.675,1038 6.648,1039 8.011,1040 2.354,1041 12.623,1042 6.387,1043 10.3,1044 1,1045 12.714,1046 2.303,1047 8.128,1048 9.854,1049 3.285,1050 15.264,1051 7.817,1052 11.705,1053 0.773,1054 14.497,1055 2.275,1056 8.927,1057 10.99,1058 3.414,1059 17.38,1060 8.559,1061 13.13,1062 0.647,1063 16.301,1064 1.707,1065 10.193,1066 12.634,1067 4.168,1068 19.862,1069 9.776,1070 3.265,1071 0.402,1072 18.122,1073 1.495,1074 11.176,1075 13.974,1076 4.466,1077 22.145,1078 10.701,1079 2.883,1080 11.419,1081 19.955,1082 0.621,1083 12.361,1084 15.539,1085 5.115,1086 24.578,1087 11.836,1088 2.792,1089 9.125,1090 21.799,1091 4.627,1092 13.432,1093 16.978,1094 5.504,1095 26.937,1096 12.851,1097 2.534,1098 8.948,1099 23.653,1100 3.792,1101 14.59,1102 18.514,1103 6.092,1104 29.359,1105 13.957,1106 2.449,1107 7.74,1108 25.514,1109 3.321,1110 15.706,1111 20,1112 6.531,1113 31.755,1114 15.017,1115 2.05,1116 7.313,1117 27.383,1118 3.161,1119 16.858,1120 21.528,1121 7.084,1122 34.177,1123 16.117,1124 1.879,1125 5.638,1126 29.258,1127 2.769,1128 17.997,1129 23.035,1130 7.551,1131 36.59,1132 17.201,1133 12024,1134 19879,1135 23.868,1136 36.256,1137 52.876,1138 54.275,1139 54.348,1140 52.561,1141 52.58,1142 65.864,1143 7.126,1144 154.774,1145 49.843,1146 5.675,1147 5.54,1148 6.612,1149 5.319,1150 5.265,1151 7.627,1152 2.912,1153 18.86,1154 5.094,1155 13.35,1156 1.511,1157 1.551,1158 1.553,1159 1.502,1160 1.502,1161 1.882,1162 0.204,1163 4.422,1164 1.424,1165 4.131,1166 4.181,1167 4.108,1168 3.974,1169 7.431,1170 4,1171 3.902,1172 3.941,1173 3.839,1174 3.8,1175 6.456,1176 3.805,1177 3.883,1178 3.926,1179 3.794,1180 3.716,1181 5.133,1182 3.728,1183 3.564,1184 3.632,1185 3.486,1186 3.295,1187 4.752,1188 3.325,1189 3.478,1190 3.542,1191 3.361,1192 3.233,1193 4.67,1194 3.258,1195 3.229,1196 3.309,1197 3.105,1198 2.996,1199 4.48,1200 3.011,1201 3.168,1202 3.248,1203 3.048,1204 2.969,1205 4.205,1206 2.975,1207 3.093,1208 3.176,1209 2.89,1210 2.951,1211 4.013,1212 2.926,1213 0.134,1214 0.101,1215 0.196,1216 0.12,1217 0.093,1218 4.675,1219 0.132,1220 3.54,1221 0.047,1222 6.846,1223 0.326,1224 4.212,1225 0.088,1226 3.265,1227 4.627,1228 1.656,1229 11.419,1230 3.094,1231 1.951,1232 1.92,1233 2.028,1234 2.085,1235 1.255,1236 2.064,1237 1.793,1238 1.756,1239 1.904,1240 1.953,1241 1.224,1242 1.943,1243 1.614,1244 1.557,1245 1.86,1246 1.878,1247 1.112,1248 1.856,1249 1.604,1250 1.543,1251 1.809,1252 1.762,1253 1.053,1254 1.798,1255 1.504,1256 1.445,1257 1.703,1258 1.76,1259 0.835,1260 1.743,1261 1.423,1262 1.349,1263 1.664,1264 1.693,1265 0.688,1266 1.686,1267 1.132,1268 1.066,1269 1.307,1270 1.423,1271 0.496,1272 1.393,1273 1.001,1274 0.923,1275 1.219,1276 1.318,1277 0.329,1278 1.306,1279 4.263,1281 5.602,1282 3.045,1283 7.133,1284 5.416,1285 8.755,1286 7.506,1287 10.43,1289 1.571,1294 9.432,1295 4.081,1296 5.277,1297 5.995,1299 0.463,1300 2.27,1305 35.035,1306 92.47,1307 223.36,1308 274.947,1309 284.457,1310 284.457,1311 284.457,1312 48.864,1313 8.255,1314 117.43,1315 117.43,1316 28,1317 12.869,1318 4.17,1319 3.322,1320 43.437,1321 122,1322 154,1323 0.173,1324 211.372,1325 359.61,1326 507.508,1327 43502,1329 21.372,1330 0.689,1331 0.558,1332 21.372,1333 17.284,1334 15.14,1335 0.433,1336 0.3,1337 10.276,1338 14.342,1339 10.116,1340 8.286,1341 15.14,1342 10.483,1343 13.656,1344 0.273,1345 0.157,1346 13.656,1347 7.843,1348 11.904,1349 0.173,1350 0.083,1351 11.904,1352 5.759,1353 10.249,1354 0.107,1355 0.044,1356 10.249,1357 4.253,1358 8.476,1359 0.067,1360 0.024,1361 8.476,1362 2.964,1363 0.268,1364 96.325,1365 0.205,1366 28.808,1367 0.488,1368 170,1369 508.512,1370 192.293,1371 481.202,1372 665.96,1373 454,1374 204,1375 499.533,1376 227.269,1377 497.091,1378 737.7,1379 470,1380 6.426}
{0 CHEMBL602841,1 1.564,2 9.31,3 0.812,4 0.659,5 109.567,6 7.173,7 0.485,8 4.13,9 4.258,10 3.678,11 3.602,12 5.138,13 3.596,14 4.719,15 4.91,16 4.035,17 4.025,18 5.675,19 3.993,20 4.971,21 5.209,22 4.1,23 4.178,24 5.862,25 4.104,26 4.994,27 5.247,28 4.084,29 4.174,30 5.892,31 4.095,32 4.949,33 5.19,34 4.114,35 4.152,36 5.894,37 4.096,38 4.909,39 5.125,40 4.116,41 4.146,42 5.937,43 4.101,44 4.895,45 5.101,46 4.035,47 4.171,48 5.813,49 4.094,50 4.995,51 5.227,52 3.942,53 4.226,54 5.819,55 4.097,56 0.038,57 0.874,58 12.322,59 4.621,60 8.095,61 6.591,62 0.364,63 1.421,64 24.528,65 7.729,66 26.153,67 11.287,68 0.432,69 1.703,70 32.722,71 10.226,72 36.902,73 15.674,74 0.419,75 1.728,76 33.793,77 10.267,78 38.117,79 16.006,80 0.377,81 1.695,82 31.979,83 8.992,84 40.039,85 14.512,86 0.573,87 1.687,88 30.278,89 8.005,90 51.416,91 12.814,92 0.365,93 1.633,94 29.153,95 9.443,96 30.59,97 14.225,98 0.399,99 1.669,100 33.01,101 12.211,102 31.9,103 17.682,104 3,105 46,106 0.258,107 0.602,108 0.779,109 0.827,110 0.827,111 0.827,112 3.409,113 0.938,114 -4.01,115 -3.97,116 -3.76,119 38.2,121 2,125 7,127 1,142 4,143 2,146 1,147 1,149 1,160 1,161 1,172 6,174 4,175 4,180 3,183 7,186 4,187 4,192 2,195 3,198 3,199 10,202 1,204 2,211 1,212 7,217 1,223 1,224 10,227 4,232 2,236 2,237 5,245 4,250 3,253 4,255 1,258 4,263 4,266 1,268 2,271 2,275 1260,276 20.438,277 20.438,278 20.438,279 20.438,280 20.438,281 18.705,282 27.82,283 12.23,284 21.055,285 16.295,286 16.295,287 16.295,288 16.295,289 16.295,290 13.496,291 37.755,292 5.773,293 17.304,294 4.217,295 2.129,296 1.055,297 0.764,298 0.764,299 0.764,300 4.125,304 1,305 1,306 600,307 2.345,310 59.412,311 311.225,314 106.826,318 1.239,319 25.108,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 63,331 270,332 4.694,333 3.379,334 6.903,335 4.224,336 3.288,337 4.638,338 0.86,339 11.617,340 3.079,341 4.2,342 3.029,343 6.328,344 3.822,345 2.86,346 3.821,347 0.8,348 9.593,349 2.772,350 3.986,351 2.912,352 6.131,353 3.715,354 2.768,355 3.357,356 0.765,357 9.04,358 2.605,359 3.649,360 2.596,361 5.574,362 3.321,363 2.366,364 3.032,365 0.4,366 7.167,367 2.258,368 3.438,369 2.435,370 5.281,371 3.229,372 2.263,373 2.523,375 6.685,376 2.173,377 3.012,378 2.217,379 4.793,380 2.764,381 1.844,382 2.178,384 4.963,385 1.691,386 2.97,387 1.88,388 4.386,389 2.473,390 1.525,391 2.07,393 4.175,394 1.445,395 2.702,396 1.61,397 4.161,398 2.413,399 1.502,400 1.775,402 3.569,403 1.362,404 2.625,405 1.47,406 3.761,407 2.168,408 1.235,409 1.661,411 2.928,412 1.154,413 2.442,414 1.256,415 3.502,416 2.058,417 1.138,418 1.426,420 2.616,421 1.035,422 2.242,423 1.21,424 3.484,425 1.984,426 1,427 1.222,428 2.495,429 0.983,430 2,431 1.077,432 3.399,433 1.952,434 1,435 1,436 2.136,437 0.946,438 2,439 1.026,440 3.247,441 1.938,442 1,443 1,445 2.136,446 0.936,447 1.947,448 0.934,449 3.247,450 1.545,451 0.635,452 0.811,454 1.755,455 0.577,456 1.583,457 0.726,458 2.771,459 1.32,460 0.427,461 0.48,463 0.621,464 0.376,465 13.567,466 0.468,467 0.513,468 0.018,469 35.25,470 1.216,471 14.5,472 0.5,473 20.75,474 0.716,475 26.374,476 0.909,477 32.033,478 0.582,479 26.049,480 0.898,481 6.748,482 0.233,483 7.583,484 0.261,485 0.025,487 0.317,493 0.961,494 1.595,495 0.813,496 1.223,497 0.895,498 1.028,499 1.226,500 1.082,501 0.994,502 0.944,503 0.952,504 0.935,505 0.85,506 1.084,507 0.902,508 0.967,509 0.577,510 0.943,511 0.804,512 1.037,513 0.888,514 0.939,515 0.884,516 0.919,517 0.955,518 1.156,519 0.907,520 0.912,521 0.95,522 0.882,523 1.165,524 1.03,525 1.174,526 0.928,527 0.99,528 1.004,529 0.968,530 1.162,531 1.188,532 1.183,533 0.806,534 1.197,535 0.669,536 0.996,537 1.112,538 1.229,539 0.644,540 1.24,541 4,542 0.07,543 2.889,544 1.472,545 1.334,546 1.157,547 0.709,548 0.366,549 0.209,550 0.151,551 10200,552 23925,553 2.215,554 47.3,556 19,558 1,559 2,562 4,564 1.729,565 2.148,566 3.203,567 0.262,569 1,573 86.015,574 1.564,575 3.653,576 4.727,577 5.018,578 5.018,579 5.018,580 2.5,581 4.582,582 4.827,583 3.346,584 1358.5,585 8.463,586 17847.9,588 1,591 317.975,592 1.091,593 4.82,594 0.121,595 0.004,596 0.063,597 0.031,598 0.028,599 0.024,600 0.015,601 0.008,602 0.005,603 0.005,604 0.305,605 0.33,606 0.88,607 0.503,608 143.783,609 -0.066,610 -0.328,611 0.075,612 -0.105,613 -0.045,614 -0.011,615 -0.103,616 0.074,617 -0.035,618 0.06,619 -0.067,620 0.023,621 0.029,622 -0.034,623 0.059,624 0.024,625 0.103,626 0.039,627 0.019,628 0.004,629 0.076,630 0.033,631 -0.015,632 0.058,633 -0.068,634 -0.073,635 0.06,636 0.047,637 -0.067,638 0.076,639 -0.098,640 0.154,641 -0.202,642 -0.001,643 -0.05,644 -0.093,645 -0.096,646 -0.02,647 -0.255,648 -0.168,649 -0.106,650 -0.219,651 0.055,652 0.031,653 -0.187,654 -0.172,655 0.014,656 -0.21,657 1.501,658 3.537,659 0.931,660 26.012,661 1.002,662 1.137,663 2.784,664 7.752,665 0.646,666 3.526,667 3.85,668 4.19,669 4.511,670 4.804,671 4.956,672 5.204,673 5.398,674 5.541,675 5.656,676 5.835,677 0.615,678 394.53,679 3.526,680 5.069,681 5.943,682 6.834,683 7.73,684 8.634,685 9.54,686 10.452,687 11.365,688 12.282,689 10.9,691 1,695 1,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 55,733 16,734 1,735 33,737 59,738 21,739 11,740 2,741 4,746 5,747 6,752 1,755 3,758 3,761 11,762 10,778 1,781 26,782 7,783 2,784 8,787 1,790 6,794 0.8,795 2,796 1,806 1,811 1,812 4,815 1,835 1,838 1,839 1,840 4,848 29,853 1,854 9,855 1,856 1,858 1,859 1,870 3.6,871 1,874 1,877 13.5,878 9.617,879 6.417,880 3.468,881 3.017,882 1.378,883 0.989,884 5.358,885 11.006,886 3.738,887 4.327,888 4.981,889 5.632,890 6.221,891 6.668,892 7.197,893 7.667,894 8.018,895 8.389,896 0.714,897 48,898 10.764,900 4.638,901 7.563,902 21.119,904 17.95,905 2.063,906 59.833,910 282.506,911 84.087,912 73.391,914 53.683,917 84.087,918 336.19,919 73.391,921 22.677,922 98.599,923 83.461,924 15.867,925 2.328,926 270.735,928 282.506,929 157.477,930 53.683,933 237.75,934 47.084,935 53.683,937 55.065,938 49.728,939 50.357,941 282.506,942 127.074,943 84.087,946 282.506,947 37.563,948 51.547,949 18.011,950 104.04,951 282.506,952 127.074,953 84.087,955 0.572,956 0.346,957 0.198,958 0.113,959 24,960 9,961 0.068,962 4,963 1,964 1.074,965 4.025,966 276.539,967 0.074,968 27,969 132.881,974 18.798,975 8.267,976 3.703,977 1.741,978 125.175,979 9.717,980 14.592,984 3.303,985 2.223,986 60.694,987 493.667,988 41,999 55.101,1000 62.561,1001 0.271,1002 0.632,1003 0.818,1004 0.868,1005 0.868,1006 0.868,1007 4.984,1008 1.502,1009 5.911,1010 4.175,1011 4.533,1012 5.014,1013 1.595,1014 6.746,1015 4.418,1016 6.161,1017 1.235,1018 7.474,1019 3.569,1020 4.007,1021 4.796,1022 0.325,1023 7.687,1024 3.853,1025 7.465,1026 1.138,1027 9.143,1028 2.928,1029 6.133,1030 7.234,1031 1.191,1032 10.846,1033 5.914,1034 8.811,1035 1,1036 10.878,1037 2.616,1038 6.509,1039 7.954,1040 0.268,1041 12.662,1042 6.238,1043 10.2,1044 1,1045 12.656,1046 2.495,1047 8.045,1048 9.83,1049 0.911,1050 15.324,1051 7.716,1052 11.616,1053 1,1054 14.463,1055 2.136,1056 8.838,1057 10.979,1058 0.188,1059 17.489,1060 8.447,1061 13.055,1062 0.635,1063 16.292,1064 2.136,1065 10.136,1066 12.636,1067 0.695,1068 19.992,1069 9.689,1070 3.288,1071 0.427,1072 18.137,1073 1.755,1074 11.127,1075 13.987,1076 0.125,1077 22.307,1078 10.613,1079 2.86,1080 11.617,1081 19.993,1082 0.621,1083 12.333,1084 15.558,1085 0.523,1086 24.759,1087 11.759,1088 2.768,1089 9.593,1090 21.859,1091 4.638,1092 13.418,1093 17.003,1094 0.082,1095 27.141,1096 12.775,1097 2.366,1098 9.04,1099 23.732,1100 3.821,1101 14.593,1102 18.543,1103 0.389,1104 29.58,1105 13.887,1106 2.263,1107 7.167,1108 25.612,1109 3.357,1110 15.722,1111 20.033,1112 0.054,1113 31.994,1114 14.946,1115 1.844,1116 6.685,1117 27.498,1118 3.032,1119 16.89,1120 21.563,1121 0.287,1122 34.432,1123 16.048,1124 1.525,1125 4.963,1126 29.388,1127 2.523,1128 18.042,1129 23.074,1130 0.035,1131 36.862,1132 17.131,1133 9479,1134 14641,1135 23.057,1136 35.557,1137 49.704,1138 50.367,1139 50.33,1140 49.671,1141 49.704,1142 61.985,1143 5.649,1144 142.989,1145 46.781,1146 5.694,1147 5.379,1148 6.705,1149 5.328,1150 5.288,1151 7.638,1152 1.72,1153 19.164,1154 5.079,1155 7.244,1156 1.506,1157 1.526,1158 1.525,1159 1.505,1160 1.506,1161 1.878,1162 0.171,1163 4.333,1164 1.418,1165 4.137,1166 4.189,1167 4.114,1168 3.977,1169 6.457,1170 4.002,1171 3.901,1172 3.935,1173 3.838,1174 3.816,1175 5.139,1176 3.82,1177 3.791,1178 3.853,1179 3.678,1180 3.618,1181 4.713,1182 3.623,1183 3.695,1184 3.758,1185 3.573,1186 3.48,1187 4.619,1188 3.495,1189 3.32,1190 3.378,1191 3.243,1192 3.115,1193 4.443,1194 3.136,1195 3.178,1196 3.238,1197 3.045,1198 2.954,1199 4.326,1200 2.966,1201 3.111,1202 3.206,1203 2.879,1204 2.941,1205 4.023,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 3.646,1212 2.91,1213 0.142,1214 0.102,1215 0.209,1216 0.128,1217 0.1,1218 4.694,1219 0.141,1220 3.379,1221 0.026,1222 6.903,1223 0.352,1224 4.224,1225 0.093,1226 3.288,1227 4.638,1228 0.86,1229 11.617,1230 3.079,1231 1.96,1232 1.93,1233 2.059,1234 2.102,1235 1.402,1236 2.086,1237 1.851,1238 1.798,1239 2.028,1240 2.015,1241 1.215,1242 2.021,1243 1.763,1244 1.71,1245 1.931,1246 1.958,1247 1.153,1248 1.957,1249 1.567,1250 1.517,1251 1.687,1252 1.783,1253 0.833,1254 1.763,1255 1.311,1256 1.23,1257 1.513,1258 1.599,1259 0.825,1260 1.569,1261 1.192,1262 1.145,1263 1.513,1264 1.45,1265 0.825,1266 1.449,1267 1.153,1268 1.064,1269 1.479,1270 1.376,1271 0.616,1272 1.429,1273 1.153,1274 1.064,1275 1.453,1276 1.376,1277 0.562,1278 1.429,1279 4.205,1281 5.525,1282 2.398,1283 7.06,1284 4.727,1285 8.689,1286 6.862,1287 10.369,1294 9.537,1295 7.125,1296 3.425,1297 5.533,1299 0.394,1300 2.243,1305 33.826,1306 86.015,1307 200.9,1308 259.975,1309 275.975,1310 275.975,1311 275.975,1312 39.736,1313 7.989,1314 88.33,1315 88.33,1316 29,1317 12.794,1318 4.087,1319 3.17,1320 39.164,1321 102,1322 105,1323 0.192,1324 203.509,1325 342.46,1326 488.322,1327 30307,1329 19.631,1330 0.677,1331 0.566,1332 19.631,1333 16.42,1334 14.331,1335 0.434,1336 0.313,1337 10.13,1338 13.659,1339 9.995,1340 8.166,1341 14.331,1342 10.314,1343 12.461,1344 0.271,1345 0.166,1346 12.461,1347 7.634,1348 11.211,1349 0.172,1350 0.089,1351 11.211,1352 5.783,1353 9.75,1354 0.108,1355 0.047,1356 9.75,1357 4.187,1358 8.309,1359 0.069,1360 0.024,1361 8.309,1362 2.949,1363 0.29,1364 90.575,1365 0.208,1366 26.871,1367 0.564,1368 158,1369 428.444,1370 174.918,1371 407.815,1372 571.06,1373 388,1374 190,1375 425.715,1376 209.029,1377 428.486,1378 640.45,1379 405,1380 7.241}
{0 CHEMBL602884,1 1.577,2 11.788,3 1.743,4 3.037,5 125.255,6 7.153,7 0.432,8 4.257,9 4.396,10 3.801,11 3.702,12 5.285,13 3.698,14 4.843,15 5.05,16 4.181,17 4.116,18 5.836,19 4.096,20 5.073,21 5.293,22 4.196,23 4.267,24 6.026,25 4.202,26 5.135,27 5.407,28 4.142,29 4.246,30 6.05,31 4.158,32 5.007,33 5.25,34 4.197,35 4.219,36 5.964,37 4.165,38 5.011,39 5.222,40 4.228,41 4.281,42 6.007,43 4.235,44 5.079,45 5.297,46 4.165,47 4.313,48 6.014,49 4.223,50 5.105,51 5.368,52 4.024,53 4.248,54 5.972,55 4.119,56 0.06,57 1.013,58 14.139,59 4.987,60 10.2,61 7.459,62 0.487,63 1.584,64 28.208,65 8.115,66 34.312,67 12.585,68 0.526,69 1.853,70 36.234,71 10.701,72 46.891,73 16.564,74 0.619,75 1.868,76 39.993,77 11.105,78 59.237,79 17.96,80 0.415,81 1.768,82 34.018,83 9.874,84 43.491,85 15.89,86 0.458,87 1.881,88 33.137,89 9.315,90 44.781,91 14.831,92 0.513,93 1.915,94 35.559,95 11.228,96 41.418,97 17.401,98 0.498,99 1.779,100 38.032,101 12.575,102 54.603,103 19.332,104 29,105 53,106 0.252,107 0.59,108 0.747,109 0.809,110 0.809,111 0.809,112 3.532,113 0.923,114 -3.98,115 -3.93,116 -3.73,119 36.5,121 2,124 3,125 4,127 2,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 9,178 2,179 1,180 2,183 4,186 3,187 6,192 2,195 2,198 6,199 8,204 3,207 1,211 2,212 11,217 2,220 4,224 7,227 2,229 1,232 2,236 5,237 10,245 2,249 2,250 4,253 4,255 1,258 4,263 4,266 1,271 4,275 2010,276 22.436,277 22.436,278 22.436,279 22.436,280 22.436,281 20.523,282 28.806,283 13.068,284 23.081,285 18.251,286 18.251,287 18.251,288 18.251,289 18.251,290 15.158,291 37.439,292 6.233,293 19.282,294 4.401,295 2.292,296 1.31,297 0.925,298 0.925,299 0.925,300 4.239,304 1,305 1,306 852,307 3.873,310 150.298,311 270.552,312 98.481,314 136.184,318 1.759,319 27.223,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 72,331 389,332 4.676,333 3.54,334 6.846,335 4.213,336 3.265,337 4.627,338 1.656,339 11.42,340 3.094,341 4.171,342 3.4,343 6.155,344 3.816,345 2.883,346 3.792,347 0.86,348 9.127,349 2.737,350 3.988,351 3.151,352 6.11,353 3.765,354 2.793,355 3.322,356 0.8,357 8.949,358 2.661,359 3.831,360 2.803,361 5.653,362 3.493,363 2.537,364 3.161,365 0.8,366 7.744,367 2.422,368 3.655,369 2.741,370 5.465,371 3.393,372 2.457,373 2.77,374 0.247,375 7.313,376 2.289,377 3.45,378 2.539,379 5.038,380 3.103,381 2.191,382 2.684,384 5.657,385 2.004,386 3.22,387 2.41,388 4.879,389 3.033,390 2.049,391 2.246,393 5.638,394 1.995,395 2.963,396 2.093,397 4.781,398 2.839,399 1.879,400 2.162,402 5.326,403 1.794,404 2.925,405 1.943,406 4.638,407 2.671,408 1.729,409 1.995,411 4.99,412 1.623,413 2.879,414 1.535,415 4.418,416 2.44,417 1.488,418 1.879,420 4.264,421 1.412,422 2.624,423 1.328,424 4.269,425 2.166,426 1.234,427 1.668,428 3.612,429 1.148,430 2.5,431 1.1,432 3.665,433 2,434 1,435 1.5,436 2.275,437 1,438 2.217,439 1,440 3.414,441 1.834,442 0.893,443 1.141,445 2.255,446 0.838,447 1.701,448 0.966,449 3.271,450 1.611,451 0.685,452 0.693,454 1.668,455 0.628,456 1.602,457 0.951,458 3.008,459 1.396,460 0.447,461 0.5,463 1.046,464 0.422,465 15.367,466 0.466,467 0.848,468 0.026,469 40,470 1.212,471 16.5,472 0.5,473 23.5,474 0.712,475 31.032,476 0.94,477 36.833,478 0.585,479 32.456,480 0.984,481 7.807,482 0.237,483 8.189,484 0.248,485 0.119,487 0.371,493 0.842,494 1.657,495 0.805,496 1.291,497 0.636,498 1.073,499 1.064,500 1.016,501 0.884,502 0.871,503 0.603,504 0.842,505 1.216,506 1.221,507 1.061,508 1.083,509 0.962,510 1.063,511 0.882,512 0.891,513 0.9,514 0.851,515 0.971,516 0.866,517 0.878,518 1.107,519 0.801,520 0.889,521 0.872,522 0.831,523 1.217,524 1.103,525 1.144,526 0.997,527 1.031,528 1.029,529 0.853,530 1.21,531 1.183,532 1.261,533 0.689,534 1.266,535 0.554,536 1.005,537 0.945,538 1.135,539 0.47,540 1.108,541 7.5,542 0.32,543 3.333,544 1.729,545 1.533,546 1.427,547 0.755,548 0.505,549 0.497,550 0.248,551 14993,552 36427,553 2.131,554 47.6,556 23,558 1,559 2,561 4,564 1.759,565 2,566 3.479,567 0.252,569 1,573 99.32,574 1.577,575 3.685,576 4.667,577 5.052,578 5.052,579 5.052,580 2.93,581 4.62,582 5.006,583 3.686,584 1946.03,585 8.811,586 28626.2,588 1,591 376.569,592 1.393,593 4.979,594 0.203,595 0.01,596 0.063,597 0.033,598 0.031,599 0.026,600 0.014,601 0.01,602 0.012,603 0.007,604 0.409,605 0.33,606 0.88,607 1.257,608 173.473,610 -0.34,611 0.085,612 -0.154,613 -0.017,614 -0.041,615 0.039,616 0.147,617 0.086,618 0.128,619 0.125,620 0.119,621 -0.115,622 -0.154,623 -0.088,624 -0.068,625 -0.042,626 -0.081,627 0.013,628 0.108,629 0.084,630 0.102,631 -0.004,632 0.104,634 -0.046,635 0.162,636 0.116,637 0.025,638 0.161,639 -0.237,640 0.083,641 -0.191,642 -0.001,643 -0.179,644 -0.068,645 -0.005,646 -0.08,647 -0.247,648 -0.225,649 -0.1,650 -0.268,651 0.156,652 -0.018,653 0.002,654 -0.103,655 0.147,656 -0.082,657 1.922,658 4.602,659 0.697,660 38.749,661 1.003,662 1.142,663 2.751,664 7.565,665 0.64,666 3.638,667 3.989,668 4.277,669 4.595,670 4.875,671 5.081,672 5.303,673 5.505,674 5.673,675 5.835,676 7.037,677 0.609,678 450.61,679 3.638,680 5.198,681 6.061,682 6.957,683 7.844,684 8.749,685 9.649,686 10.56,687 11.467,688 12.383,689 12.7,692 1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 63,733 17,734 1,735 37,737 67,738 23,739 11,740 2,741 4,746 5,747 7,751 1,755 4,758 4,761 12,762 11,766 1,771 1,775 1,778 1,781 30,782 9,783 2,784 10,790 8,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,836 1,839 1,840 3,844 3,848 33,854 6,855 2,856 1,858 2,859 2,870 3.2,873 1,874 1,877 16.5,878 12.117,879 7.139,880 3.79,881 3.115,882 1.373,883 0.994,884 6.301,885 11.478,886 3.85,887 4.44,888 5.028,889 5.657,890 6.235,891 6.687,892 7.209,893 7.689,894 8.046,895 8.454,896 0.875,897 52,898 12.221,900 5.215,901 7.616,902 23.741,904 19.846,905 2.116,906 69.833,910 329.591,911 104.796,912 94.281,914 36.145,917 104.796,918 365.736,919 94.281,920 25.189,921 49.513,922 37.905,923 99.865,924 27.916,925 6.604,926 317.82,928 329.591,929 199.076,930 36.145,933 284.834,934 72.229,935 11,937 65.177,938 81.337,939 50.234,941 329.591,942 130.426,943 104.796,946 329.591,947 32.654,948 80.167,949 36.022,950 86.379,951 329.591,952 130.426,953 104.796,955 0.585,956 0.331,957 0.177,958 0.101,959 27,960 12,961 0.09,962 6,963 3,964 1.217,965 4.356,966 321.364,967 0.261,968 22,969 154.465,974 22.232,975 9.352,976 4.728,977 1.806,978 128.649,979 9.462,980 14.558,984 3.158,985 1.959,986 36.022,987 564.812,988 46,993 11.602,997 -0.255,999 63.189,1000 71.972,1001 0.264,1002 0.617,1003 0.781,1004 0.845,1005 0.845,1006 0.845,1007 5.118,1008 1.879,1009 6.057,1010 5.638,1011 4.673,1012 5.127,1013 2.219,1014 6.882,1015 4.565,1016 6.312,1017 1.729,1018 7.62,1019 5.326,1020 4.29,1021 4.977,1022 1.404,1023 7.781,1024 4.127,1025 7.618,1026 1.488,1027 9.278,1028 4.99,1029 6.282,1030 7.31,1031 2.581,1032 10.893,1033 6.069,1034 8.958,1035 1.234,1036 10.991,1037 4.264,1038 6.698,1039 8.024,1040 2.382,1041 12.632,1042 6.427,1043 10.332,1044 1,1045 12.742,1046 3.612,1047 8.165,1048 9.861,1049 3.295,1050 15.27,1051 7.846,1052 11.731,1053 0.893,1054 14.52,1055 2.275,1056 8.956,1057 10.994,1058 3.421,1059 17.383,1060 8.58,1061 13.151,1062 0.685,1063 16.319,1064 2.255,1065 10.217,1066 12.636,1067 4.17,1068 19.864,1069 9.794,1070 3.265,1071 0.447,1072 18.135,1073 1.668,1074 11.194,1075 13.975,1076 4.467,1077 22.146,1078 10.714,1079 2.883,1080 11.42,1081 19.965,1082 1.046,1083 12.375,1084 15.54,1085 5.115,1086 24.579,1087 11.846,1088 2.793,1089 9.127,1090 21.807,1091 4.627,1092 13.443,1093 16.978,1094 5.504,1095 26.938,1096 12.858,1097 2.537,1098 8.949,1099 23.659,1100 3.792,1101 14.599,1102 18.515,1103 6.092,1104 29.36,1105 13.964,1106 2.457,1107 7.744,1108 25.519,1109 3.322,1110 15.712,1111 20,1112 6.531,1113 31.755,1114 15.022,1115 2.191,1116 7.313,1117 27.387,1118 3.161,1119 16.864,1120 21.528,1121 7.084,1122 34.178,1123 16.122,1124 2.049,1125 5.657,1126 29.261,1127 2.77,1128 18.002,1129 23.035,1130 7.551,1131 36.591,1132 17.205,1133 14210,1134 22299,1135 24.967,1136 40.33,1137 56.162,1138 57.195,1139 57.29,1140 55.826,1141 55.831,1142 69.119,1143 8.726,1144 163.79,1145 52.852,1146 5.676,1147 5.54,1148 6.397,1149 5.319,1150 5.265,1151 7.627,1152 2.912,1153 18.861,1154 5.094,1155 16.05,1156 1.518,1157 1.546,1158 1.548,1159 1.509,1160 1.509,1161 1.868,1162 0.236,1163 4.427,1164 1.428,1165 4.133,1166 4.184,1167 4.109,1168 3.976,1169 7.431,1170 4.001,1171 3.902,1172 3.942,1173 3.839,1174 3.8,1175 5.136,1176 3.806,1177 3.884,1178 3.928,1179 3.794,1180 3.717,1181 4.753,1182 3.728,1183 3.65,1184 3.736,1185 3.524,1186 3.427,1187 4.67,1188 3.436,1189 3.545,1190 3.615,1191 3.452,1192 3.253,1193 4.49,1194 3.295,1195 3.339,1196 3.427,1197 3.244,1198 3.086,1199 4.299,1200 3.109,1201 3.17,1202 3.255,1203 3.053,1204 2.971,1205 4.205,1206 2.98,1207 3.093,1208 3.183,1209 2.89,1210 2.951,1211 4.012,1212 2.926,1213 0.126,1214 0.096,1215 0.185,1216 0.114,1217 0.088,1218 4.676,1219 0.125,1220 3.54,1221 0.045,1222 6.846,1223 0.309,1224 4.213,1225 0.084,1226 3.265,1227 4.627,1228 1.656,1229 11.42,1230 3.094,1231 1.951,1232 1.921,1233 2.028,1234 2.086,1235 1.255,1236 2.066,1237 1.795,1238 1.757,1239 1.92,1240 1.958,1241 1.227,1242 1.95,1243 1.666,1244 1.59,1245 1.886,1246 1.923,1247 1.155,1248 1.915,1249 1.604,1250 1.543,1251 1.86,1252 1.789,1253 1.101,1254 1.798,1255 1.555,1256 1.502,1257 1.72,1258 1.76,1259 0.874,1260 1.77,1261 1.423,1262 1.349,1263 1.689,1264 1.718,1265 0.722,1266 1.711,1267 1.344,1268 1.249,1269 1.602,1270 1.638,1271 0.688,1272 1.624,1273 1.099,1274 1.031,1275 1.417,1276 1.342,1277 0.496,1278 1.342,1279 4.317,1281 5.659,1282 3.045,1283 7.183,1284 5.416,1285 8.795,1286 7.506,1287 10.46,1289 5.691,1295 5.483,1296 5.336,1297 6.049,1299 0.521,1300 4.465,1305 38.396,1306 99.32,1307 232.162,1308 294.039,1309 318.304,1310 318.304,1311 318.304,1312 50.21,1313 8.362,1314 100.44,1315 100.44,1316 28,1317 12.896,1318 4.17,1319 3.322,1320 47.549,1321 136,1322 170,1323 0.17,1324 233.355,1325 396.42,1326 561.146,1327 49174,1329 22.949,1330 0.695,1331 0.584,1332 22.949,1333 19.284,1334 15.996,1335 0.432,1336 0.308,1337 11.151,1338 15.165,1339 10.852,1340 8.983,1341 15.996,1342 11.378,1343 14.838,1344 0.28,1345 0.168,1346 14.838,1347 8.923,1348 12.359,1349 0.174,1350 0.087,1351 12.359,1352 6.206,1353 10.426,1354 0.106,1355 0.045,1356 10.426,1357 4.453,1358 8.752,1359 0.067,1360 0.024,1361 8.752,1362 3.154,1363 0.263,1364 101.535,1365 0.2,1366 30.387,1367 0.477,1368 180,1369 506.007,1370 202.269,1371 483.682,1372 672.58,1373 456,1374 214,1375 509.426,1376 238.076,1377 511.681,1378 754.44,1379 480,1380 6.015}
{0 CHEMBL603212,1 1.734,2 8.667,3 1.865,4 3.477,5 91.939,6 8.511,7 0.571,8 3.852,9 3.966,10 3.594,11 3.418,12 4.929,13 3.401,14 4.419,15 4.578,16 4.004,17 3.847,18 5.483,19 3.81,20 4.65,21 4.853,22 3.984,23 3.899,24 5.615,25 3.838,26 4.58,27 4.828,28 3.84,29 3.835,30 5.524,31 3.737,32 4.439,33 4.644,34 3.861,35 3.838,36 5.361,37 3.738,38 4.428,39 4.588,40 3.962,41 3.887,42 5.475,43 3.788,44 4.494,45 4.696,46 3.754,47 3.776,48 5.467,49 3.662,50 4.351,51 4.614,52 3.252,53 3.448,54 5.249,55 3.315,56 0.06,57 0.695,58 7.244,59 3.464,60 7.979,61 4.034,62 0.296,63 1.148,64 16.29,65 6.434,66 23.148,67 7.418,68 0.447,69 1.329,70 24.205,71 7.573,72 30.194,73 9.566,74 0.413,75 1.252,76 22.165,77 7.394,78 34.032,79 9.783,80 0.248,81 1.122,82 22.219,83 7.855,84 15.821,85 9.446,86 0.268,87 1.17,88 18.353,89 7.312,90 21.657,91 8.193,92 0.279,93 1.145,94 24.838,95 7.978,96 24.149,97 9.567,98 0.316,99 0.882,100 18.059,101 5.884,102 29.56,103 7.904,104 2,105 41,106 0.304,107 0.674,108 0.793,109 0.793,110 0.793,111 0.793,112 3.23,113 0.951,114 -3.46,115 -3.44,116 -3.29,119 40,121 2,125 2,127 2,142 1,143 1,145 2,146 1,147 1,149 1,150 1,151 1,152 1,163 1,164 1,165 1,172 1,174 3,175 7,177 2,178 2,183 1,186 1,187 5,198 5,199 3,204 1,207 1,209 1,211 1,212 2,220 1,223 2,224 3,226 2,227 2,232 2,236 1,237 6,245 4,252 1,253 1,255 1,260 1,262 2,263 4,268 1,273 1,275 766,276 16.635,277 16.635,278 16.635,279 16.635,280 16.635,281 14.817,282 15.774,283 9.633,284 17.302,285 13.88,286 13.88,287 13.88,288 13.88,289 13.88,290 11.13,291 21.609,292 4.654,293 15.021,294 3.588,295 1.48,296 0.8,297 0.8,298 0.8,299 0.8,300 3.946,303 1,304 1,305 1,306 478,307 2.121,310 95.863,311 172.098,312 63.969,314 84.81,318 1.278,319 20.159,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 208,332 4.605,333 3.377,334 6.74,335 4.137,336 3.209,337 4.53,338 0.86,339 11.052,340 2.975,341 4.134,342 3.09,343 6.113,344 3.795,345 2.857,346 3.758,347 0.8,348 8.984,349 2.683,350 3.907,351 2.774,352 5.906,353 3.658,354 2.714,355 3.122,357 8.454,358 2.551,359 3.656,360 2.52,361 5.497,362 3.215,363 2.291,364 3.06,366 7.161,367 2.115,368 3.522,369 2.352,370 5.045,371 3.176,372 2.27,373 2.692,375 6.092,376 2.055,377 2.965,378 2.093,379 4.879,380 2.839,381 1.879,382 2.18,384 5.638,385 1.794,386 2.879,387 1.58,388 4.577,389 2.398,390 1.491,391 1.879,393 4.418,394 1.355,395 2.697,396 1.511,397 4.379,398 2.366,399 1.441,400 1.732,402 4.155,403 1.315,404 2.539,405 1.055,406 3.564,407 1.931,408 1.05,409 1.558,411 2.409,412 0.916,413 2.5,414 1,415 3.414,416 1.917,417 1,418 1.5,420 2.275,421 0.903,422 1.993,423 0.964,424 3.413,425 1.651,426 0.72,427 0.823,428 1.775,429 0.662,430 1.688,431 0.618,432 3.267,433 1.412,434 0.537,435 0.655,436 1.476,437 0.463,438 1.166,439 -0.052,440 2.774,441 0.74,442 -0.171,443 -0.217,445 -0.385,446 -0.155,447 0.902,448 -0.075,449 2.653,450 0.602,451 -0.347,452 -0.347,454 -1.042,455 -0.327,456 0.653,457 -0.289,458 2.583,459 0.48,460 -0.431,461 -0.517,463 -1.312,464 -0.389,465 11.567,466 0.482,467 0.585,468 0.024,469 32.5,470 1.354,471 15,472 0.625,473 17.5,474 0.729,475 19.301,476 0.804,477 25.033,478 0.626,479 20.256,480 0.844,481 5.798,482 0.242,483 5.962,484 0.248,485 0.035,487 0.38,493 0.948,494 1.342,495 0.684,496 0.939,497 0.978,498 0.85,499 1.092,500 0.942,501 0.863,502 0.901,503 0.678,504 0.862,505 1.349,506 1.219,507 0.929,508 0.987,509 0.951,510 0.985,511 0.799,512 0.725,513 0.804,514 0.71,515 0.821,516 0.849,517 0.682,518 1.022,519 1.096,520 1.077,521 0.606,522 0.888,523 0.832,524 1.006,525 1.231,526 1.26,527 0.855,528 1.189,529 0.886,530 1.316,531 1.424,532 1.529,533 0.921,534 1.276,535 1.165,536 0.873,537 0.921,538 0.873,539 1.246,540 1.097,541 5,542 0.063,543 2.444,544 1.16,545 1.043,546 0.83,547 0.372,548 0.239,549 0.223,550 0.077,551 6556,552 17325,553 2.262,554 40,556 7,557 1,558 2,559 2,561 4,564 1.674,565 2.182,566 3.095,567 0.378,568 1,569 1,571 1,573 69.367,574 1.734,575 3.841,576 4.522,577 4.522,578 4.522,579 4.522,580 2.507,581 4.054,582 4.557,583 3.221,584 888.999,585 7.891,586 10029.9,587 1,588 1,590 1,591 212.877,592 1.175,593 4.543,594 0.179,595 0.013,596 0.06,597 0.031,598 0.032,599 0.024,600 0.011,601 0.008,602 0.013,603 0.006,604 0.375,605 0.5,606 0.88,607 0.382,608 111.448,609 -0.105,610 -0.208,611 0.07,612 -0.01,613 -0.095,614 0.024,615 0.02,616 0.135,617 0.019,618 0.049,619 0.195,620 0.032,621 -0.148,622 -0.256,623 -0.015,624 -0.061,625 -0.02,626 -0.047,627 0.034,628 0.259,629 0.084,630 0.178,631 0.051,632 0.114,633 0.054,634 -0.014,635 0.036,636 0.059,637 0.083,638 0.144,639 0.008,640 0.099,641 -0.163,642 -0.153,643 -0.058,644 -0.24,645 0.005,646 -0.316,647 -0.239,648 -0.381,649 -0.049,650 -0.262,651 -0.156,652 0.004,653 -0.083,654 -0.03,655 -0.205,656 -0.112,657 1.416,658 2.455,659 0.958,660 16.826,661 1.011,662 1.13,663 2.231,664 4.977,665 0.699,666 3.367,667 3.738,668 4.06,669 4.394,670 4.654,671 4.828,672 5.004,673 5.159,674 5.293,675 5.389,676 5.227,677 0.667,678 340.45,679 3.367,680 4.934,681 5.814,682 6.718,683 7.613,684 8.522,685 9.424,686 10.335,687 11.242,688 12.154,689 15,693 1,695 1,699 4,703 2,704 4,705 4,708 1,709 4,711 16,722 1,726 1,731 40,733 16,735 28,737 44,738 16,739 10,746 5,747 7,755 4,758 4,761 10,762 6,777 1,778 1,781 16,782 7,783 2,784 8,785 1,790 6,794 0.6,795 1,801 1,806 2,811 2,812 3,813 1,815 1,839 1,840 3,842 1,848 24,849 1,854 4,856 1,858 2,859 1,865 1,870 2.5,874 1,877 11,878 7.167,879 5.028,880 2.44,881 3.02,882 1.39,883 1.058,884 3.386,885 10.769,886 3.611,887 4.245,888 4.874,889 5.508,890 6.061,891 6.475,892 6.96,893 7.416,894 7.728,895 8.089,896 0.833,897 38,898 8.865,900 3.925,901 7.583,902 17.264,904 15.048,905 2.083,906 50,910 164.795,911 88.409,912 103.164,914 11,916 31.278,917 57.131,918 175.795,919 103.164,921 9.28,922 50.023,923 101.684,924 28.877,925 16.744,926 160.76,928 164.795,929 160.295,930 11,931 31.278,933 120.039,934 47.084,935 11,937 31.419,938 59.406,939 67.142,940 31.278,941 164.795,942 114.164,943 88.409,946 164.795,947 53.189,948 38.344,950 111.039,951 164.795,952 114.164,953 88.409,955 0.593,956 0.347,957 0.194,958 0.107,959 24,960 9,961 0.045,962 2,963 3,964 1.217,965 3.675,966 216.152,967 0.261,968 22,969 100.039,970 1,974 14.495,975 5.606,976 2.558,977 2.076,978 114.164,979 7.425,980 17.617,983 1.678,984 2.645,986 32.897,987 367.368,988 36,999 40.433,1000 45.195,1001 0.326,1002 0.722,1003 0.85,1004 0.85,1005 0.85,1006 0.85,1007 4.875,1008 1.441,1009 5.808,1010 4.418,1011 4.419,1012 4.931,1013 1.235,1014 6.645,1015 4.267,1016 6.078,1017 1.05,1018 7.375,1019 4.155,1020 4.007,1021 4.732,1022 0.325,1023 7.535,1024 3.799,1025 7.388,1026 1,1027 9.036,1028 2.409,1029 6.038,1030 7.15,1031 0.938,1032 10.661,1033 5.748,1034 8.733,1035 0.72,1036 10.753,1037 2.275,1038 6.447,1039 7.828,1040 0.268,1041 12.387,1042 6.09,1043 10.111,1044 0.537,1045 12.506,1046 1.775,1047 7.931,1048 9.705,1049 0.732,1050 15.021,1051 7.504,1052 11.514,1053 -0.171,1054 14.286,1055 1.476,1056 8.721,1057 10.804,1058 0.188,1059 17.11,1060 8.22,1061 12.935,1062 -0.347,1063 16.085,1064 -0.385,1065 9.988,1066 12.461,1067 0.57,1068 19.576,1069 9.419,1070 3.209,1071 -0.431,1072 17.9,1073 -1.042,1074 10.961,1075 13.768,1076 0.125,1077 21.829,1078 10.315,1079 2.857,1080 11.052,1081 19.726,1082 -1.312,1083 12.141,1084 15.331,1085 0.438,1086 24.24,1087 11.426,1088 2.714,1089 8.984,1090 21.563,1091 4.53,1092 13.202,1093 16.74,1094 0.082,1095 26.568,1096 12.409,1097 2.291,1098 8.454,1099 23.409,1100 3.758,1101 14.352,1102 18.266,1103 0.334,1104 28.962,1105 13.487,1106 2.27,1107 7.161,1108 25.262,1109 3.122,1110 15.455,1111 19.725,1112 0.054,1113 31.326,1114 14.513,1115 1.879,1116 6.092,1117 27.121,1118 3.06,1119 16.598,1120 21.237,1121 0.252,1122 33.718,1123 15.581,1124 1.491,1125 5.638,1126 28.986,1127 2.692,1128 17.723,1129 22.72,1130 0.035,1131 36.099,1132 16.629,1133 5948,1134 9812,1135 19.592,1136 27.943,1137 43.314,1138 43.023,1139 43.304,1140 42.878,1141 42.916,1142 54.976,1143 3.32,1144 127.776,1145 39.574,1146 5.605,1147 5.377,1148 6.225,1149 5.248,1150 5.209,1151 7.53,1152 1.72,1153 18.308,1154 4.898,1155 6.394,1156 1.547,1157 1.537,1158 1.547,1159 1.531,1160 1.533,1161 1.963,1162 0.119,1163 4.563,1164 1.413,1165 4.087,1166 4.117,1167 4.318,1168 4.044,1169 5.245,1170 4.005,1171 3.886,1172 3.927,1173 3.833,1174 3.735,1175 5.022,1176 3.737,1177 3.796,1178 3.841,1179 3.794,1180 3.666,1181 4.665,1182 3.675,1183 3.312,1184 3.378,1185 3.371,1186 3.132,1187 4.584,1188 3.141,1189 3.17,1190 3.255,1191 3.086,1192 2.951,1193 4.28,1194 2.963,1195 3.093,1196 3.176,1197 2.89,1198 2.948,1199 3.966,1200 2.926,1201 2.89,1202 2.994,1203 2.815,1204 2.66,1205 3.962,1206 2.665,1207 2.679,1208 2.776,1209 2.695,1210 2.534,1211 3.523,1212 2.473,1213 0.164,1214 0.121,1215 0.241,1216 0.148,1217 0.115,1218 4.605,1219 0.162,1220 3.377,1221 0.031,1222 6.74,1223 0.395,1224 4.137,1225 0.106,1226 3.209,1227 4.53,1228 0.86,1229 11.052,1230 2.975,1231 1.885,1232 1.851,1233 1.935,1234 2.049,1235 1.255,1236 2.022,1237 1.699,1238 1.652,1239 1.86,1240 1.912,1241 1.217,1242 1.891,1243 1.604,1244 1.543,1245 1.835,1246 1.76,1247 0.945,1248 1.798,1249 1.558,1250 1.516,1251 1.673,1252 1.75,1253 0.744,1254 1.729,1255 1.376,1256 1.372,1257 1.381,1258 1.431,1259 0.621,1260 1.488,1261 1.002,1262 0.93,1263 1.227,1264 1.287,1265 0.496,1266 1.292,1267 0.779,1268 0.668,1269 1.215,1270 1.051,1271 0.288,1272 1.114,1273 0.731,1274 0.668,1275 1.045,1276 1.041,1278 1.046,1279 4.043,1281 5.398,1282 3.045,1283 6.942,1284 5.352,1285 8.574,1286 7.391,1287 10.255,1293 5.58,1295 4.049,1297 5.955,1299 0.633,1300 2.341,1305 26.664,1306 69.367,1307 153.658,1308 180.877,1309 180.877,1310 180.877,1311 180.877,1312 27.348,1313 7.749,1314 90.05,1315 118.29,1316 28,1317 12.669,1318 4.087,1319 3.17,1320 30.148,1321 74,1322 85,1323 0.2,1324 162.682,1325 265.68,1326 388.704,1327 23643,1329 16.096,1330 0.671,1331 0.572,1332 16.449,1333 13.739,1334 11.759,1335 0.42,1336 0.317,1337 7.941,1338 10.782,1339 7.754,1340 6.308,1341 12.213,1342 8.876,1343 11.047,1344 0.269,1345 0.174,1346 11.604,1347 7.114,1348 9.703,1349 0.17,1350 0.096,1351 10.392,1352 5.458,1353 8.524,1354 0.107,1355 0.054,1356 9.308,1357 4.28,1358 6.982,1359 0.067,1360 0.028,1361 7.566,1362 2.869,1363 0.302,1364 78.501,1365 0.226,1366 22.894,1367 0.582,1368 138,1369 386.134,1370 175.758,1371 393.067,1372 553.02,1373 372,1374 167,1375 409.08,1376 204.298,1377 424.36,1378 631.49,1379 401,1380 6.609}
{0 CHEMBL603498,1 1.603,2 12.229,3 1.9,4 3.608,5 128.891,6 7.431,7 0.4,8 4.284,9 4.41,10 3.86,11 3.778,12 5.319,13 3.774,14 4.885,15 5.065,16 4.268,17 4.217,18 5.9,19 4.191,20 5.184,21 5.406,22 4.3,23 4.353,24 6.159,25 4.294,26 5.174,27 5.425,28 4.232,29 4.314,30 6.15,31 4.245,32 5.056,33 5.282,34 4.265,35 4.309,36 6.047,37 4.252,38 5.06,39 5.264,40 4.296,41 4.347,42 6.08,43 4.298,44 5.102,45 5.311,46 4.285,47 4.362,48 6.097,49 4.295,50 5.152,51 5.389,52 4.152,53 4.373,54 6.071,55 4.261,56 0.078,57 1.031,58 13.453,59 5.509,60 8.664,61 7.526,62 0.419,63 1.694,64 27.438,65 9.629,66 33.92,67 13.582,68 0.665,69 2.047,70 40.425,71 12.218,72 65.679,73 17.959,74 0.74,75 2.038,76 40.874,77 11.468,78 75.046,79 17.563,80 0.488,81 1.906,82 34.583,83 11.041,84 50.996,85 16.636,86 0.51,87 1.987,88 33.53,89 10.57,90 49.265,91 15.61,92 0.551,93 2.005,94 35.258,95 11.589,96 47.113,97 17.179,98 0.587,99 1.986,100 38.459,101 13.632,102 60.057,103 19.745,104 13,105 58,106 0.254,107 0.61,108 0.781,109 0.811,110 0.811,111 0.811,112 3.589,113 0.925,114 -4.32,115 -4.26,116 -4.02,119 39.1,121 6,124 1,125 2,127 3,142 4,143 2,144 1,145 1,147 1,149 1,156 1,159 1,161 1,166 1,172 7,174 3,175 13,178 2,179 1,180 2,183 6,186 2,187 12,192 2,195 4,198 5,199 12,204 3,207 3,211 2,212 12,217 2,220 6,223 1,224 11,227 2,229 1,232 4,236 4,237 14,245 8,249 2,250 2,253 4,255 1,258 12,262 2,263 5,266 1,271 12,275 2286,276 24.091,277 24.091,278 24.091,279 24.091,280 24.091,281 22.048,282 31.919,283 13.921,284 24.58,285 19.728,286 19.728,287 19.728,288 19.728,289 19.728,290 16.362,291 41.458,292 6.631,293 20.526,294 4.397,295 2.152,296 1.074,297 0.887,298 0.887,299 0.887,300 4.308,304 1,305 1,306 958,307 3.317,310 155.976,311 388.061,312 103.522,314 140.572,318 1.734,319 36.78,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 76.5,331 428,332 4.695,333 3.632,334 6.906,335 4.243,336 3.295,337 4.638,338 2.178,339 11.631,340 3.125,341 4.185,342 3.54,343 6.35,344 3.865,345 2.929,346 3.796,347 1.656,348 9.702,349 2.77,350 4.042,351 3.412,352 6.114,353 3.798,354 2.828,355 3.378,356 0.86,357 8.983,358 2.722,359 3.84,360 3.19,361 5.777,362 3.612,363 2.643,364 3.167,365 0.8,366 8.093,367 2.569,368 3.757,369 2.886,370 5.465,371 3.471,372 2.502,373 2.88,374 0.247,375 7.313,376 2.418,377 3.626,378 2.767,379 5.44,380 3.352,381 2.363,382 2.769,384 6.892,385 2.315,386 3.45,387 2.425,388 5.022,389 3.036,390 2.055,391 2.684,393 5.916,394 2.003,395 3.217,396 2.276,397 4.879,398 2.978,399 2,400 2.314,402 5.638,403 1.935,404 2.959,405 2.093,406 4.782,407 2.839,408 1.879,409 2.16,411 5.327,412 1.794,413 2.879,414 1.616,415 4.646,416 2.44,417 1.488,418 1.879,420 4.473,421 1.412,422 2.676,423 1.535,424 4.4,425 2.388,426 1.436,427 1.706,428 4.211,429 1.363,430 2.54,431 1.203,432 4.031,433 2.056,434 1.1,435 1.545,436 3.022,437 1.048,438 2.5,439 1.147,440 3.664,441 2,442 1,443 1.5,445 2.275,446 1,447 2.092,448 1.1,449 3.414,450 2,451 1,452 1,454 2.275,455 1,456 2,457 1,458 3.414,459 1.728,460 0.775,461 0.965,463 2.077,464 0.735,465 16.3,466 0.466,467 0.862,468 0.025,469 42.5,470 1.214,471 18,472 0.514,473 24.5,474 0.7,475 34.586,476 0.988,477 38.3,478 0.598,479 33.891,480 0.968,481 7.817,482 0.223,483 9.251,484 0.264,485 0.072,487 0.387,493 0.746,494 1.457,495 0.758,496 1.178,497 0.542,498 0.997,499 0.829,500 1.16,501 0.865,502 1.064,503 0.55,504 0.983,505 1.223,506 1.176,507 1.024,508 0.993,509 1.012,510 0.983,511 1.059,512 0.894,513 1.014,514 0.823,515 1.049,516 0.882,517 0.803,518 1.109,519 0.862,520 0.927,521 0.772,522 0.897,523 0.985,524 1.102,525 1.086,526 1.022,527 0.744,528 1.042,529 0.808,530 1.19,531 1.061,532 1.14,533 0.571,534 1.131,535 0.658,536 0.901,537 1.061,538 1.102,539 0.559,540 1.139,541 7.5,542 0.297,543 3.778,544 1.882,545 1.64,546 1.434,547 0.932,548 0.56,549 0.406,550 0.342,551 18126,552 45985,553 2.191,554 45.3,556 14,558 1,559 2,560 4,561 8,564 1.774,565 2.079,566 3.513,567 0.219,573 102.616,574 1.603,575 3.848,576 4.926,577 5.113,578 5.113,579 5.113,580 3.022,581 4.672,582 5.092,583 3.713,584 2209.11,585 8.985,586 33541.2,591 384,592 1.313,593 5.074,594 0.188,595 0.008,596 0.065,597 0.032,598 0.03,599 0.025,600 0.016,601 0.01,602 0.008,603 0.008,604 0.39,605 0.17,606 0.75,607 0.89,608 186.808,609 -0.01,610 -0.193,611 0.076,612 -0.073,614 0.001,615 0.085,616 -0.01,617 0.048,618 -0.037,619 0.076,620 -0.01,621 -0.139,622 -0.158,623 -0.041,624 -0.013,625 -0.066,626 -0.018,627 -0.111,628 0.143,629 -0.024,630 0.107,631 -0.097,632 0.066,633 -0.009,634 -0.041,635 0.079,636 0.073,637 -0.037,638 0.091,639 -0.131,640 0.051,641 -0.163,642 -0.038,643 -0.077,644 -0.089,645 0.012,646 -0.082,647 -0.136,648 -0.136,649 0.009,650 -0.155,651 0.05,652 0.128,653 -0.128,654 -0.079,655 0.043,656 -0.124,657 1.936,658 4.819,659 0.829,660 40.723,661 1.006,662 1.136,663 3.094,664 9.571,665 0.653,666 3.714,667 4.078,668 4.394,669 4.718,670 5.011,671 5.215,672 5.451,673 5.666,674 5.875,675 6.068,676 7.166,677 0.626,678 475.61,679 3.714,680 5.283,681 6.159,682 7.06,683 7.955,684 8.865,685 9.77,686 10.685,687 11.598,688 12.517,689 10.9,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 64,733 18,734 1,735 40,737 69,738 25,739 11,740 2,741 4,746 6,747 8,751 1,755 9,758 9,761 13,762 12,766 2,771 2,775 2,781 29,782 9,783 2,784 10,790 7,794 0.667,795 3,801 1,803 1,806 1,811 2,812 4,813 1,815 1,824 1,839 1,840 4,844 1,848 35,854 8,855 2,856 1,858 3,859 1,870 4.7,873 2,874 1,877 16.833,878 11.667,879 7.5,880 4.132,881 3.124,882 1.359,883 1.012,884 6.008,885 11.827,886 3.932,887 4.519,888 5.104,889 5.724,890 6.303,891 6.77,892 7.301,893 7.793,894 8.187,895 8.615,896 1,897 58,898 13.029,900 5.761,901 7.695,902 25.271,904 21.942,905 2.195,906 76.833,910 317.82,911 99.063,912 91.156,914 61.29,917 99.063,918 379.109,919 91.156,920 8.396,921 55.44,922 37.905,923 130.144,924 24.792,925 6.604,926 306.049,928 317.82,929 190.22,930 61.29,933 225.979,934 144.459,935 11,937 67.979,938 69.678,939 50.234,941 317.82,942 152.446,943 99.063,946 317.82,947 43.714,948 60.25,949 36.022,950 111.524,951 317.82,952 152.446,953 99.063,955 0.589,956 0.344,957 0.185,958 0.105,959 31,960 13,961 0.058,962 4,963 3,964 1.172,965 4.538,966 360.119,967 0.207,968 28,969 165.525,974 22.597,975 9.306,976 4.445,977 1.737,978 150.67,979 9.394,980 14.718,984 3.053,985 1.993,986 36.022,987 569.329,988 50,993 23.464,997 0.053,999 64.414,1000 72.684,1001 0.267,1002 0.641,1003 0.821,1004 0.852,1005 0.852,1006 0.852,1007 5.209,1008 2,1009 6.155,1010 5.916,1011 4.762,1012 5.207,1013 2.753,1014 6.993,1015 4.683,1016 6.402,1017 1.879,1018 7.725,1019 5.638,1020 4.369,1021 5.056,1022 2.337,1023 7.908,1024 4.252,1025 7.712,1026 1.488,1027 9.39,1028 5.327,1029 6.385,1030 7.376,1031 3.702,1032 11.031,1033 6.218,1034 9.054,1035 1.436,1036 11.111,1037 4.473,1038 6.804,1039 8.089,1040 3.949,1041 12.789,1042 6.586,1043 10.429,1044 1.1,1045 12.87,1046 4.211,1047 8.282,1048 9.91,1049 4.977,1050 15.438,1051 8.019,1052 11.829,1053 1,1054 14.655,1055 3.022,1056 9.079,1057 11.04,1058 5.506,1059 17.567,1060 8.757,1061 13.248,1062 1,1063 16.462,1064 2.275,1065 10.346,1066 12.674,1067 6.392,1068 20.061,1069 9.979,1070 3.295,1071 0.775,1072 18.285,1073 2.275,1074 11.328,1075 14.012,1076 7.051,1077 22.359,1078 10.899,1079 2.929,1080 11.631,1081 20.122,1082 2.077,1083 12.516,1084 15.573,1085 7.875,1086 24.805,1087 12.038,1088 2.828,1089 9.702,1090 21.97,1091 4.638,1092 13.589,1093 17.011,1094 8.594,1095 27.179,1096 13.049,1097 2.643,1098 8.983,1099 23.829,1100 3.796,1101 14.751,1102 18.547,1103 9.392,1104 29.615,1105 14.159,1106 2.502,1107 8.093,1108 25.696,1109 3.378,1110 15.869,1111 20.034,1112 10.141,1113 32.025,1114 15.218,1115 2.363,1116 7.313,1117 27.571,1118 3.167,1119 17.027,1120 21.562,1121 10.927,1122 34.462,1123 16.322,1124 2.055,1125 6.892,1126 29.452,1127 2.88,1128 18.171,1129 23.072,1130 11.691,1131 36.891,1132 17.408,1133 16721,1134 26752,1135 27.452,1136 41.779,1137 60.984,1138 63.237,1139 62.369,1140 60.58,1141 60.674,1142 74.981,1143 11.483,1144 180.167,1145 58.323,1146 5.695,1147 5.632,1148 6.457,1149 5.35,1150 5.295,1151 7.638,1152 3.677,1153 19.199,1154 5.125,1155 14.506,1156 1.525,1157 1.581,1158 1.559,1159 1.515,1160 1.517,1161 1.875,1162 0.287,1163 4.504,1164 1.458,1165 4.146,1166 4.196,1167 4.12,1168 3.99,1169 7.432,1170 4.014,1171 3.905,1172 3.951,1173 3.845,1174 3.812,1175 7.425,1176 3.815,1177 3.902,1178 3.937,1179 3.803,1180 3.739,1181 5.135,1182 3.745,1183 3.791,1184 3.833,1185 3.698,1186 3.658,1187 4.752,1188 3.662,1189 3.548,1190 3.616,1191 3.47,1192 3.255,1193 4.67,1194 3.299,1195 3.328,1196 3.4,1197 3.262,1198 3.084,1199 4.487,1200 3.116,1201 3.17,1202 3.253,1203 3.054,1204 2.971,1205 4.205,1206 2.98,1207 3.111,1208 3.206,1209 2.949,1210 2.951,1211 4.09,1212 2.926,1213 0.117,1214 0.091,1215 0.173,1216 0.106,1217 0.082,1218 4.695,1219 0.116,1220 3.632,1221 0.054,1222 6.906,1223 0.291,1224 4.243,1225 0.078,1226 3.295,1227 4.638,1228 2.178,1229 11.631,1230 3.125,1231 1.956,1232 1.925,1233 2.064,1234 2.099,1235 1.419,1236 2.083,1237 1.866,1238 1.823,1239 2.018,1240 2.016,1241 1.255,1242 2.02,1243 1.775,1244 1.735,1245 1.898,1246 1.947,1247 1.22,1248 1.936,1249 1.604,1250 1.543,1251 1.86,1252 1.791,1253 1.105,1254 1.798,1255 1.568,1256 1.524,1257 1.713,1258 1.76,1259 0.883,1260 1.768,1261 1.423,1262 1.349,1263 1.683,1264 1.714,1265 0.825,1266 1.706,1267 1.3,1268 1.236,1269 1.513,1270 1.59,1271 0.688,1272 1.547,1273 1.153,1274 1.064,1275 1.442,1276 1.376,1277 0.622,1278 1.429,1279 4.394,1281 5.746,1282 3.045,1283 7.287,1284 5.416,1285 8.914,1286 7.516,1287 10.59,1289 1.581,1295 6.514,1296 5.328,1297 6.063,1299 0.62,1300 2.317,1305 40.089,1306 102.616,1307 246.283,1308 315.245,1309 327.245,1310 327.245,1311 327.245,1312 59.978,1313 8.703,1314 114.27,1315 114.27,1316 34,1317 13.028,1318 4.248,1319 3.459,1320 46.755,1321 148,1322 186,1323 0.153,1324 239.421,1325 413.81,1326 575.947,1327 72984,1329 23.941,1330 0.684,1331 0.564,1332 23.941,1333 19.736,1334 17.068,1335 0.427,1336 0.308,1337 12.139,1338 16.293,1339 11.941,1340 9.759,1341 17.068,1342 12.337,1343 15.791,1344 0.272,1345 0.166,1346 15.791,1347 9.611,1348 13.817,1349 0.173,1350 0.091,1351 13.817,1352 7.263,1353 11.748,1354 0.106,1355 0.049,1356 11.748,1357 5.401,1358 9.938,1359 0.067,1360 0.026,1361 9.938,1362 3.911,1363 0.237,1364 107.728,1365 0.191,1366 31.799,1367 0.433,1368 196,1369 556.098,1370 219.29,1371 528.957,1372 732.76,1373 498,1374 236,1375 553.006,1376 260.378,1377 550.148,1378 815.7,1379 521,1380 5.886}
{0 CHEMBL603848,1 1.498,2 13.194,3 3.059,4 9.359,5 140.579,6 7.127,7 0.537,8 4.329,9 4.454,10 3.876,11 3.847,12 5.337,13 3.827,14 4.909,15 5.095,16 4.23,17 4.263,18 5.853,19 4.221,20 5.173,21 5.401,22 4.297,23 4.423,24 6.047,25 4.339,26 5.254,27 5.514,28 4.277,29 4.434,30 6.11,31 4.335,32 5.204,33 5.444,34 4.308,35 4.446,36 6.081,37 4.357,38 5.226,39 5.459,40 4.316,41 4.454,42 6.146,43 4.371,44 5.22,45 5.456,46 4.257,47 4.439,48 6.088,49 4.342,50 5.219,51 5.459,52 4.187,53 4.452,54 6.036,55 4.327,56 0.063,57 1.051,58 15.02,59 6.147,60 9.9,61 8.414,62 0.349,63 1.749,64 29.347,65 9.957,66 28.306,67 14.146,68 0.393,69 2.16,70 39.419,71 13.208,72 38.299,73 19.637,74 0.556,75 2.285,76 44.109,77 14.161,78 47.902,79 21.352,80 0.38,81 2.208,82 40.907,83 13.861,84 43.014,85 20.754,86 0.528,87 2.288,88 41.87,89 12.978,90 54.699,91 19.705,92 0.542,93 2.219,94 41.796,95 13.453,96 46.213,97 20.202,98 0.448,99 2.165,100 41.491,101 15.126,102 38.825,103 22.033,104 3,105 57,106 0.234,107 0.561,108 0.738,109 0.813,110 0.833,111 0.833,112 3.616,113 0.939,114 -5.24,115 -5.13,116 -4.8,119 41.2,121 2,125 8,127 1,142 9,143 4,145 1,147 1,149 1,161 1,166 1,172 12,174 3,175 12,180 1,183 13,186 2,187 8,192 2,195 6,198 6,199 10,204 2,207 5,211 2,212 9,217 1,220 6,223 1,224 12,227 2,232 8,236 3,237 8,245 7,249 2,250 9,253 2,255 1,258 5,263 11,266 1,271 4,275 2654,276 25.317,277 25.317,278 25.317,279 25.317,280 25.317,281 22.832,282 31.723,283 15.127,284 25.901,285 20.262,286 20.262,287 20.262,288 20.262,289 20.262,290 16.429,291 43.484,292 7.185,293 21.236,294 4.59,295 2.5,296 1.372,297 0.893,298 0.765,299 0.765,300 4.339,305 1,306 1063,307 2.739,310 80.476,311 541.201,314 145.986,318 2.028,319 26.51,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 77,331 475,332 4.694,333 3.38,334 6.903,335 4.238,336 3.289,337 4.638,338 0.916,339 11.617,340 3.121,341 4.2,342 3.077,343 6.33,344 3.836,345 2.874,346 3.821,347 0.86,348 9.6,349 2.784,350 3.997,351 2.949,352 6.131,353 3.739,354 2.779,355 3.457,356 0.8,357 9.04,358 2.656,359 3.929,360 2.909,361 5.637,362 3.606,363 2.649,364 3.357,365 0.765,366 7.742,367 2.546,368 3.649,369 2.594,370 5.517,371 3.337,372 2.377,373 3.032,374 0.172,375 7.132,376 2.268,377 3.521,378 2.468,379 5.281,380 3.265,381 2.291,382 2.605,384 6.687,385 2.224,386 3.256,387 2.354,388 5.044,389 3.039,390 2.094,391 2.345,393 6.051,394 1.969,395 2.974,396 2.12,397 4.745,398 2.654,399 1.734,400 2.178,402 4.819,403 1.593,404 2.937,405 1.615,406 4.385,407 2.479,408 1.518,409 2.044,411 4.172,412 1.455,413 2.818,414 1.576,415 4.082,416 2.415,417 1.427,418 1.913,420 3.225,421 1.406,422 2.659,423 1.487,424 3.76,425 2.179,426 1.26,427 1.727,428 2.993,429 1.165,430 2.5,431 1.256,432 3.587,433 2.143,434 1.185,435 1.5,436 2.901,437 1.118,438 2.489,439 1.22,440 3.487,441 2,442 1.038,443 1.484,445 2.546,446 1,447 2.381,448 1.077,449 3.414,450 1.992,451 1,452 1.369,454 2.275,455 0.986,456 2.004,457 1.061,458 3.414,459 1.984,460 1,461 1,463 2.136,464 0.983,465 17.067,466 0.474,467 0.65,468 0.018,469 45,470 1.25,471 20.5,472 0.569,473 24.5,474 0.681,475 34.484,476 0.958,477 38.733,478 0.57,479 35.091,480 0.975,481 8.772,482 0.244,483 9.008,484 0.25,485 0.02,487 0.305,493 0.876,494 1.413,495 0.811,496 1.151,497 0.869,498 1.004,499 1.278,500 1.115,501 1.004,502 0.952,503 0.955,504 0.942,505 0.948,506 1.203,507 0.985,508 1.042,509 0.627,510 1.017,511 0.856,512 0.926,513 0.945,514 0.894,515 0.894,516 0.914,517 0.796,518 1.122,519 0.911,520 0.993,521 0.833,522 0.962,523 1.058,524 1.103,525 1.107,526 1.008,527 0.896,528 1.036,529 0.998,530 1.065,531 1.118,532 1.036,533 0.836,534 1.068,535 0.714,536 1.016,537 1.071,538 1.128,539 0.677,540 1.138,541 5.5,542 0.164,543 3.333,544 1.722,545 1.716,546 1.282,547 0.893,548 0.536,549 0.34,550 0.27,551 20606,552 46632,553 2.221,554 47.1,556 26,558 1,559 1,562 4,564 1.778,565 2.16,566 3.633,567 -0.383,573 101.832,574 1.498,575 3.588,576 4.716,577 5.194,578 5.323,579 5.323,580 3.084,581 4.705,582 5.134,583 3.831,584 2413.6,585 9.052,586 37918.3,591 413.947,592 1.056,593 5.134,594 0.134,595 0.005,596 0.058,597 0.029,598 0.03,599 0.021,600 0.015,601 0.01,602 0.007,603 0.006,604 0.316,605 0.17,606 0.75,607 0.431,608 195.302,609 0.028,610 -0.203,611 0.083,612 -0.074,613 -0.019,614 -0.006,615 -0.11,616 0.029,617 -0.04,618 0.036,619 -0.068,620 0.007,621 -0.024,622 -0.139,623 -0.018,624 -0.062,625 0.066,626 -0.045,627 0.035,628 0.112,629 0.041,630 0.053,631 -0.009,632 0.047,633 0.024,634 -0.076,635 0.052,636 -0.011,637 -0.022,638 0.019,639 -0.07,640 -0.002,641 -0.129,642 -0.064,643 -0.043,644 -0.093,645 -0.032,646 0.006,647 -0.142,648 -0.077,649 -0.076,650 -0.111,651 0.057,652 0.004,653 -0.119,654 -0.122,655 0.02,656 -0.139,657 1.508,658 3.654,659 0.917,660 44.898,661 0.996,662 1.13,663 4.013,664 16.107,665 0.659,666 3.738,667 4.06,668 4.382,669 4.691,670 4.984,671 5.124,672 5.375,673 5.587,674 5.759,675 5.914,676 7.668,677 0.624,678 484.66,679 3.738,680 5.283,681 6.151,682 7.036,683 7.923,684 8.819,685 9.716,686 10.621,687 11.525,688 12.435,689 8.8,692 1,695 1,697 1,699 3,703 2,704 10,705 3,709 5,710 1,711 22,726 1,731 68,733 22,734 2,735 41,737 73,738 28,739 17,740 3,741 9,746 6,747 7,752 1,755 3,758 3,761 17,762 11,781 32,782 7,783 1,784 8,790 6,794 0.833,795 2,796 1,803 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,848 36,853 1,854 10,856 1,858 1,859 2,870 2.9,871 1,874 1,877 16.667,878 11.983,879 7.917,880 4.261,881 3.772,882 1.431,883 0.997,884 6.864,885 12.524,886 3.97,887 4.557,888 5.178,889 5.802,890 6.374,891 6.749,892 7.264,893 7.733,894 8.096,895 8.483,896 0.889,897 59,898 13.358,900 5.737,901 7.514,902 26.32,904 22.386,905 2.014,906 72.5,910 364.904,911 137.617,912 58.259,914 53.683,917 137.617,918 418.587,919 58.259,921 24.782,922 127.97,923 74.72,924 31.53,925 2.328,926 353.133,928 364.904,929 195.876,930 53.683,933 320.148,934 47.084,935 53.683,937 40.446,938 102.868,939 50.234,941 364.904,942 111.942,943 137.617,946 364.904,947 43.283,948 102.359,950 103.917,951 364.904,952 111.942,953 137.617,955 0.574,956 0.341,957 0.192,958 0.109,959 29,960 11,961 0.082,962 6,963 1,964 1.061,965 4.702,966 365.852,967 0.061,968 33,969 174.117,974 23.414,975 10.554,976 4.996,977 1.878,978 110.166,979 20.453,980 14.888,984 4.702,985 2.125,986 42.683,987 614.463,988 52,999 67.752,1000 76.806,1001 0.246,1002 0.589,1003 0.775,1004 0.853,1005 0.874,1006 0.874,1007 5.212,1008 1.734,1009 6.116,1010 6.051,1011 4.745,1012 5.244,1013 1.81,1014 6.932,1015 4.655,1016 6.389,1017 1.518,1018 7.667,1019 4.819,1020 4.205,1021 4.945,1022 0.57,1023 7.825,1024 4.071,1025 7.684,1026 1.427,1027 9.321,1028 4.172,1029 6.333,1030 7.43,1031 1.434,1032 10.968,1033 6.157,1034 9.016,1035 1.26,1036 11.039,1037 3.225,1038 6.673,1039 8.055,1040 0.581,1041 12.741,1042 6.447,1043 10.388,1044 1.185,1045 12.799,1046 2.993,1047 8.214,1048 9.97,1049 1.158,1050 15.391,1051 7.947,1052 11.787,1053 1.038,1054 14.589,1055 2.901,1056 8.971,1057 11.047,1058 0.515,1059 17.532,1060 8.65,1061 13.209,1062 1,1063 16.401,1064 2.546,1065 10.269,1066 12.726,1067 0.936,1068 20.025,1069 9.907,1070 3.289,1071 1,1072 18.23,1073 2.275,1074 11.232,1075 14.031,1076 0.441,1077 22.329,1078 10.813,1079 2.874,1080 11.617,1081 20.073,1082 2.136,1083 12.434,1084 15.612,1085 0.756,1086 24.775,1087 11.97,1088 2.779,1089 9.6,1090 21.927,1091 4.638,1092 13.499,1093 17.031,1094 0.373,1095 27.152,1096 12.978,1097 2.649,1098 9.04,1099 23.79,1100 3.821,1101 14.668,1102 18.574,1103 0.609,1104 29.588,1105 14.098,1106 2.377,1107 7.742,1108 25.661,1109 3.457,1110 15.784,1111 20.05,1112 0.314,1113 32,1114 15.157,1115 2.291,1116 7.132,1117 27.538,1118 3.357,1119 16.946,1120 21.58,1121 0.49,1122 34.437,1123 16.267,1124 2.094,1125 6.687,1126 29.422,1127 3.032,1128 18.089,1129 23.084,1130 0.264,1131 36.866,1132 17.354,1133 18831,1134 28490,1135 28.72,1136 44.841,1137 61.524,1138 62.056,1139 62.079,1140 61.428,1141 61.417,1142 77.843,1143 7.027,1144 175.525,1145 58.608,1146 5.694,1147 5.38,1148 6.705,1149 5.341,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.121,1155 8.454,1156 1.501,1157 1.514,1158 1.514,1159 1.498,1160 1.498,1161 1.899,1162 0.171,1163 4.281,1164 1.429,1165 4.143,1166 4.194,1167 4.117,1168 3.99,1169 6.457,1170 4.013,1171 3.931,1172 3.973,1173 3.854,1174 3.856,1175 5.134,1176 3.851,1177 3.895,1178 3.927,1179 3.834,1180 3.814,1181 4.755,1182 3.818,1183 3.782,1184 3.838,1185 3.674,1186 3.626,1187 4.722,1188 3.628,1189 3.692,1190 3.75,1191 3.575,1192 3.483,1193 4.621,1194 3.498,1195 3.326,1196 3.389,1197 3.253,1198 3.121,1199 4.464,1200 3.141,1201 3.22,1202 3.28,1203 3.082,1204 3.05,1205 4.252,1206 3.046,1207 3.111,1208 3.206,1209 2.982,1210 2.941,1211 3.997,1212 2.924,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.238,1225 0.076,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.121,1231 1.965,1232 1.935,1233 2.083,1234 2.107,1235 1.426,1236 2.096,1237 1.927,1238 1.892,1239 2.044,1240 2.047,1241 1.222,1242 2.049,1243 1.832,1244 1.789,1245 1.99,1246 1.96,1247 1.154,1248 1.969,1249 1.772,1250 1.72,1251 1.936,1252 1.95,1253 1.139,1254 1.955,1255 1.584,1256 1.535,1257 1.726,1258 1.785,1259 0.893,1260 1.772,1261 1.316,1262 1.238,1263 1.514,1264 1.601,1265 0.825,1266 1.57,1267 1.206,1268 1.159,1269 1.513,1270 1.454,1271 0.825,1272 1.454,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.73,1278 1.429,1279 4.419,1281 5.74,1282 2.398,1283 7.268,1284 4.727,1285 8.885,1286 6.862,1287 10.551,1294 9.654,1295 8.099,1297 5.593,1299 0.304,1300 4.804,1305 42.406,1306 101.832,1307 243.96,1308 320.663,1309 353.193,1310 361.947,1311 361.947,1312 50.816,1313 8.752,1314 79.54,1315 79.54,1316 35,1317 12.952,1318 4.524,1319 3.585,1320 48.862,1321 159,1322 199,1323 0.144,1324 254.48,1325 432.38,1326 612.691,1327 83807,1329 24.321,1330 0.676,1331 0.568,1332 24.321,1333 20.461,1334 17.78,1335 0.434,1336 0.313,1337 12.638,1338 17.081,1339 12.42,1340 10.176,1341 17.78,1342 12.827,1343 15.584,1344 0.273,1345 0.169,1346 15.584,1347 9.648,1348 13.844,1349 0.175,1350 0.092,1351 13.844,1352 7.264,1353 11.934,1354 0.111,1355 0.049,1356 11.934,1357 5.296,1358 10.199,1359 0.07,1360 0.027,1361 10.199,1362 3.857,1363 0.226,1364 111.384,1365 0.187,1366 32.848,1367 0.399,1368 196,1369 503.756,1370 213.556,1371 485.805,1372 682.55,1373 462,1374 234,1375 511.881,1376 254.389,1377 517.607,1378 767.71,1379 489,1380 7.602}
{0 CHEMBL604123,1 1.58,2 11.194,3 2.33,4 5.431,5 116.402,6 7.268,7 0.457,8 4.179,9 4.313,10 3.737,11 3.651,12 5.217,13 3.646,14 4.763,15 4.955,16 4.141,17 4.067,18 5.78,19 4.046,20 5.017,21 5.241,22 4.166,23 4.203,24 5.988,25 4.15,26 5.032,27 5.289,28 4.107,29 4.191,30 6.005,31 4.12,32 4.916,33 5.136,34 4.107,35 4.18,36 5.9,37 4.116,38 4.937,39 5.152,40 4.135,41 4.203,42 5.911,43 4.147,44 4.982,45 5.2,46 4.086,47 4.225,48 5.923,49 4.144,50 5.028,51 5.278,52 3.892,53 4.213,54 5.915,55 4.064,56 0.06,57 0.935,58 12.657,59 4.791,60 9.766,61 6.844,62 0.397,63 1.49,64 25.2,65 8.079,66 33.026,67 11.918,68 0.524,69 1.766,70 34.271,71 9.826,72 47.304,73 15.086,74 0.581,75 1.775,76 35.478,77 9.93,78 57.306,79 15.646,80 0.327,81 1.662,82 29.963,83 9.694,84 40.785,85 14.757,86 0.391,87 1.73,88 30.46,89 9.285,90 39.588,91 14.17,92 0.485,93 1.756,94 32.013,95 9.968,96 38.644,97 15.284,98 0.455,99 1.68,100 34.48,101 12.609,102 54.206,103 18.501,104 23,105 51,106 0.257,107 0.622,108 0.789,109 0.8,110 0.8,111 0.8,112 3.473,113 0.923,114 -4.5,115 -4.42,116 -4.17,119 37.9,120 2,121 2,124 1,125 2,127 3,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 5,174 3,175 11,178 2,179 1,180 2,183 5,186 2,187 8,192 2,195 2,198 5,199 10,204 3,207 3,211 1,212 10,217 2,220 4,224 11,227 2,229 1,232 4,236 3,237 9,245 6,249 2,250 2,253 4,255 1,258 8,263 4,266 1,271 8,275 1631,276 21.074,277 21.074,278 21.074,279 21.074,280 21.074,281 19.186,282 27.497,283 12.114,284 21.617,285 17.242,286 17.242,287 17.242,288 17.242,289 17.242,290 14.164,291 34.939,292 5.73,293 18.123,294 4.278,295 2.035,296 1.005,297 0.936,298 0.936,299 0.936,300 4.18,304 1,305 1,306 769,307 3.606,310 138.269,311 248.301,312 90.603,314 124.7,318 1.736,319 26.766,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 67.5,331 347,332 4.691,333 3.54,334 6.89,335 4.233,336 3.286,337 4.637,338 1.656,339 11.555,340 3.114,341 4.179,342 3.41,343 6.286,344 3.833,345 2.905,346 3.795,347 0.86,348 9.432,349 2.743,350 4.02,351 3.181,352 6.114,353 3.788,354 2.814,355 3.362,356 0.8,357 8.977,358 2.69,359 3.835,360 2.857,361 5.721,362 3.527,363 2.578,364 3.165,365 0.247,366 7.915,367 2.444,368 3.692,369 2.762,370 5.465,371 3.44,372 2.484,373 2.789,375 7.313,376 2.364,377 3.45,378 2.419,379 5.283,380 3.036,381 2.058,382 2.685,384 6.154,385 2.003,386 3.168,387 2.185,388 4.879,389 2.953,390 2,391 2.268,393 5.638,394 1.894,395 2.959,396 2.093,397 4.782,398 2.839,399 1.879,400 2.158,402 5.326,403 1.794,404 2.879,405 1.535,406 4.54,407 2.44,408 1.488,409 1.879,411 4.303,412 1.412,413 2.649,414 1.493,415 4.387,416 2.318,417 1.38,418 1.688,420 4.018,421 1.293,422 2.5,423 1.101,424 3.68,425 2.001,426 1.046,427 1.5,428 2.598,429 1,430 2.435,431 1.055,432 3.637,433 2,434 1,435 1.416,436 2.275,437 0.997,438 1.996,439 1,440 3.414,441 1.688,442 0.736,443 0.862,445 1.884,446 0.695,447 1.69,448 0.964,449 3.269,450 1.525,451 0.603,452 0.67,454 1.594,455 0.553,456 1.518,457 0.709,458 2.897,459 1.326,460 0.399,461 0.428,463 0.617,464 0.368,465 14.467,466 0.467,467 0.832,468 0.027,469 38.25,470 1.234,471 16.5,472 0.532,473 21.75,474 0.702,475 29.323,476 0.946,477 34.133,478 0.589,479 29.404,480 0.949,481 7.154,482 0.231,483 7.859,484 0.254,485 0.127,487 0.401,493 0.816,494 1.529,495 0.788,496 1.221,497 0.645,498 1.028,499 0.917,500 1.125,501 0.828,502 0.98,503 0.575,504 0.901,505 1.289,506 1.18,507 1.019,508 0.967,509 0.931,510 0.957,511 1.001,512 0.859,513 0.968,514 0.811,515 1.043,516 0.858,517 0.875,518 1.187,519 0.933,520 1.05,521 0.959,522 1.001,523 1.074,524 1.11,525 1.077,526 1.028,527 0.904,528 1.034,529 0.94,530 1.137,531 1.177,532 1.144,533 0.65,534 1.176,535 0.52,536 0.965,537 1.086,538 1.25,539 0.518,540 1.262,541 7,542 0.208,543 3.333,544 1.882,545 1.578,546 1.288,547 0.827,548 0.502,549 0.427,550 0.264,551 12647,552 31031,553 2.14,554 46.6,556 14,558 1,559 2,561 10,564 1.742,565 2,566 3.391,567 0.257,569 1,573 91.622,574 1.58,575 3.823,576 4.853,577 4.922,578 4.922,579 4.922,580 2.873,581 4.478,582 4.919,583 3.601,584 1674.64,585 8.625,586 23209.6,588 1,590 1,591 339.763,592 1.418,593 4.886,594 0.2,595 0.01,596 0.065,597 0.037,598 0.033,599 0.026,600 0.017,601 0.011,602 0.012,603 0.009,604 0.42,605 0.17,606 0.88,607 1.116,608 159.118,609 -0.001,610 -0.247,611 0.08,612 -0.108,613 -0.035,614 -0.018,615 0.125,616 0.022,617 0.118,618 0.035,619 0.143,620 0.066,621 -0.146,622 -0.134,623 -0.035,624 0.01,625 -0.025,627 -0.066,628 0.184,629 0.015,630 0.129,631 -0.044,632 0.094,633 -0.046,634 -0.105,635 0.003,636 -0.023,637 -0.062,638 -0.003,639 -0.16,640 0.022,641 -0.136,642 -0.034,643 -0.121,644 -0.069,645 -0.066,646 -0.024,647 -0.24,648 -0.142,649 -0.08,650 -0.202,651 0.137,652 0.026,653 -0.156,654 -0.199,655 0.083,656 -0.224,657 1.921,658 4.56,659 0.742,660 32.156,661 1.004,662 1.139,663 3.266,664 10.67,665 0.648,666 3.584,667 3.951,668 4.263,669 4.585,670 4.852,671 5.063,672 5.273,673 5.46,674 5.628,675 5.781,676 6.637,677 0.618,678 421.56,679 3.584,680 5.153,681 6.028,682 6.932,683 7.828,684 8.739,685 9.644,686 10.561,687 11.472,688 12.392,689 12.1,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 58,733 17,734 1,735 35,737 62,738 22,739 11,740 2,741 4,746 5,747 7,751 1,752 2,755 4,758 5,761 12,762 10,766 1,771 1,775 1,778 1,781 27,782 8,783 2,784 9,790 7,794 0.6,795 2,801 1,803 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,844 3,848 31,854 4,855 2,856 1,858 3,859 1,870 3.4,873 1,874 1,877 15.5,878 11.25,879 6.667,880 3.673,881 3.135,882 1.38,883 0.996,884 5.384,885 11.39,886 3.807,887 4.416,888 5.028,889 5.663,890 6.236,891 6.693,892 7.204,893 7.678,894 8.034,895 8.442,896 1,897 51,898 11.483,900 4.963,901 7.634,902 22.267,904 18.862,905 2.134,906 66.167,909 1,910 294.278,911 101.442,912 91.156,914 36.145,917 101.442,918 330.422,919 91.156,920 26.047,921 45.302,922 37.905,923 99.865,924 24.792,925 6.604,926 282.506,928 294.278,929 192.598,930 36.145,933 178.894,934 142.856,935 11,937 75.492,938 64.545,939 50.234,941 294.278,942 127.301,943 101.442,946 294.278,947 28.443,948 77.9,949 36.022,950 86.379,951 294.278,952 127.301,953 101.442,955 0.591,956 0.346,957 0.186,958 0.103,959 27,960 12,961 0.065,962 4,963 3,964 1.217,965 4.165,966 299.848,967 0.261,968 22,969 141.58,974 20.375,975 8.191,976 3.914,977 1.804,978 125.525,979 9.436,980 14.448,984 3.162,985 1.945,986 36.022,987 523.021,988 44,993 11.56,997 -0.254,999 58.203,1000 66.059,1001 0.27,1002 0.653,1003 0.829,1004 0.84,1005 0.84,1006 0.84,1007 5.081,1008 1.879,1009 6.033,1010 5.638,1011 4.635,1012 5.103,1013 2.109,1014 6.88,1015 4.535,1016 6.286,1017 1.488,1018 7.612,1019 5.326,1020 4.29,1021 4.977,1022 1.305,1023 7.82,1024 4.144,1025 7.601,1026 1.38,1027 9.286,1028 4.303,1029 6.267,1030 7.308,1031 2.545,1032 10.939,1033 6.063,1034 8.951,1035 1.046,1036 11.016,1037 4.018,1038 6.723,1039 8.038,1040 2.354,1041 12.707,1042 6.464,1043 10.334,1044 1,1045 12.781,1046 2.598,1047 8.179,1048 9.872,1049 3.285,1050 15.352,1051 7.869,1052 11.741,1053 0.736,1054 14.572,1055 2.275,1056 9,1057 11.013,1058 3.414,1059 17.484,1060 8.633,1061 13.168,1062 0.603,1063 16.384,1064 1.884,1065 10.258,1066 12.653,1067 4.168,1068 19.974,1069 9.84,1070 3.286,1071 0.399,1072 18.21,1073 1.594,1074 11.254,1075 13.997,1076 4.466,1077 22.269,1078 10.778,1079 2.905,1080 11.555,1081 20.05,1082 0.617,1083 12.437,1084 15.562,1085 5.115,1086 24.712,1087 11.91,1088 2.814,1089 9.432,1090 21.901,1091 4.637,1092 13.518,1093 17.003,1094 5.504,1095 27.082,1096 12.933,1097 2.578,1098 8.977,1099 23.761,1100 3.795,1101 14.678,1102 18.54,1103 6.092,1104 29.514,1105 14.041,1106 2.484,1107 7.915,1108 25.629,1109 3.362,1110 15.8,1111 20.028,1112 6.531,1113 31.92,1114 15.107,1115 2.058,1116 7.313,1117 27.504,1118 3.165,1119 16.957,1120 21.557,1121 7.084,1122 34.353,1123 16.211,1124 2,1125 6.154,1126 29.385,1127 2.789,1128 18.102,1129 23.067,1130 7.551,1131 36.777,1132 17.3,1133 11905,1134 18784,1135 23.581,1136 37.563,1137 53.702,1138 54.85,1139 55.095,1140 53.268,1141 53.313,1142 66.603,1143 7.126,1144 159.198,1145 50.724,1146 5.691,1147 5.54,1148 6.441,1149 5.34,1150 5.286,1151 7.637,1152 2.912,1153 19.069,1154 5.114,1155 15.074,1156 1.534,1157 1.567,1158 1.574,1159 1.522,1160 1.523,1161 1.903,1162 0.204,1163 4.549,1164 1.449,1165 4.136,1166 4.186,1167 4.112,1168 3.979,1169 7.431,1170 4.004,1171 3.902,1172 3.942,1173 3.84,1174 3.802,1175 5.137,1176 3.807,1177 3.887,1178 3.93,1179 3.795,1180 3.72,1181 4.754,1182 3.731,1183 3.587,1184 3.658,1185 3.497,1186 3.406,1187 4.67,1188 3.402,1189 3.518,1190 3.588,1191 3.396,1192 3.249,1193 4.493,1194 3.288,1195 3.235,1196 3.324,1197 3.11,1198 3.011,1199 4.205,1200 3.027,1201 3.168,1202 3.249,1203 3.048,1204 2.97,1205 4.102,1206 2.976,1207 3.093,1208 3.176,1209 2.89,1210 2.951,1211 3.979,1212 2.926,1213 0.134,1214 0.101,1215 0.197,1216 0.121,1217 0.094,1218 4.691,1219 0.132,1220 3.54,1221 0.047,1222 6.89,1223 0.33,1224 4.233,1225 0.089,1226 3.286,1227 4.637,1228 1.656,1229 11.555,1230 3.114,1231 1.952,1232 1.921,1233 2.03,1234 2.087,1235 1.255,1236 2.067,1237 1.799,1238 1.76,1239 1.937,1240 1.957,1241 1.227,1242 1.95,1243 1.675,1244 1.606,1245 1.887,1246 1.909,1247 1.142,1248 1.904,1249 1.604,1250 1.543,1251 1.86,1252 1.771,1253 1.097,1254 1.798,1255 1.542,1256 1.494,1257 1.708,1258 1.76,1259 0.85,1260 1.753,1261 1.423,1262 1.349,1263 1.675,1264 1.698,1265 0.688,1266 1.694,1267 1.15,1268 1.077,1269 1.417,1270 1.426,1271 0.496,1272 1.405,1273 1.011,1274 0.927,1275 1.313,1276 1.315,1277 0.469,1278 1.308,1279 4.263,1281 5.617,1282 3.045,1283 7.157,1284 5.416,1285 8.784,1286 7.516,1287 10.463,1289 5.786,1295 3.883,1296 5.322,1297 6.028,1299 0.72,1300 2.327,1305 35.847,1306 91.622,1307 221.715,1308 281.498,1309 285.498,1310 285.498,1311 285.498,1312 46.441,1313 8.255,1314 97.2,1315 97.2,1316 28,1317 12.902,1318 4.17,1319 3.322,1320 43.441,1321 121,1322 154,1323 0.175,1324 216.968,1325 368.12,1326 521.163,1327 43289,1329 21.535,1330 0.695,1331 0.581,1332 21.535,1333 18,1334 15.012,1335 0.429,1336 0.308,1337 10.579,1338 14.3,1339 10.297,1340 8.52,1341 15.012,1342 10.764,1343 14.015,1344 0.275,1345 0.165,1346 14.015,1347 8.435,1348 12.007,1349 0.172,1350 0.084,1351 12.007,1352 5.894,1353 10.276,1354 0.106,1355 0.045,1356 10.276,1357 4.343,1358 8.399,1359 0.066,1360 0.024,1361 8.399,1362 3.016,1363 0.27,1364 94.817,1365 0.206,1366 28.745,1367 0.495,1368 172,1369 478.362,1370 193.186,1371 457.954,1372 642.64,1373 432,1374 207,1375 495.37,1376 229.383,1377 494.38,1378 733.58,1379 467,1380 6.631}
{0 CHEMBL604167,1 1.749,2 14.128,3 2.882,4 8.308,5 150.396,6 7.942,7 0.364,8 4.398,9 4.511,10 4.154,11 3.934,12 5.378,13 3.892,14 5.011,15 5.188,16 4.509,17 4.367,18 6.146,19 4.307,20 5.275,21 5.477,22 4.522,23 4.517,24 6.255,25 4.42,26 5.309,27 5.542,28 4.443,29 4.516,30 6.277,31 4.39,32 5.251,33 5.486,34 4.448,35 4.5,36 6.226,37 4.369,38 5.132,39 5.329,40 4.473,41 4.505,42 6.061,43 4.38,44 5.146,45 5.341,46 4.442,47 4.485,48 6.089,49 4.36,50 5.191,51 5.422,52 4.411,53 4.43,54 6.152,55 4.31,56 0.127,57 1.184,58 17.997,59 6.958,60 17.36,61 8.587,62 0.729,63 1.948,64 36.112,65 12.121,66 71.371,67 15.225,68 0.865,69 2.355,70 53.441,71 15.781,72 76.415,73 20.195,74 0.744,75 2.345,76 53.094,77 17.085,78 90.708,79 22.378,80 0.841,81 2.243,82 54.8,83 17.417,84 84.478,85 21.962,86 0.546,87 2.198,88 46.602,89 15.947,90 42.174,91 19.652,92 0.452,93 2.16,94 46.032,95 16.148,96 45.279,97 19.959,98 0.689,99 2.151,100 46.495,101 15.314,102 62.767,103 20.242,104 32,105 65,106 0.271,107 0.588,108 0.757,109 0.814,110 0.814,111 0.814,112 3.693,113 1.083,114 -2.92,115 -2.92,116 -2.83,119 36.1,121 2,124 2,125 7,127 2,142 5,143 1,144 1,146 1,147 1,149 1,152 2,159 1,172 5,174 5,175 5,178 2,179 1,180 2,183 5,186 2,187 11,192 2,195 2,198 1,199 9,204 3,207 1,211 4,212 6,217 2,220 3,223 2,224 6,227 2,229 1,232 6,236 1,237 5,245 6,249 3,250 8,253 3,255 1,258 4,262 3,263 6,268 1,271 4,275 3276,276 26.165,277 26.165,278 26.165,279 26.165,280 26.165,281 23.918,282 35.316,283 14.983,284 27.026,285 21.731,286 21.731,287 21.731,288 21.731,289 21.731,290 18.039,291 50.741,292 7.171,293 23.183,294 4.421,295 2.374,296 1.28,297 0.91,298 0.91,299 0.91,300 4.406,306 1210,307 4.243,310 183.99,311 475.728,312 123.199,314 169.009,318 2.312,319 44.445,322 0.5,323 0.5,324 0.67,325 0.6,326 0.5,327 0.5,328 0.5,329 0.54,330 85.5,331 551,332 4.743,333 4.375,334 7.111,335 4.248,336 3.314,337 4.578,338 1.656,339 11.657,340 3.077,341 4.64,342 3.54,343 6.761,344 4.163,345 3.236,346 4.51,347 0.916,348 11.149,349 2.996,350 4.17,351 3.392,352 6.116,353 3.81,354 2.868,355 3.791,356 0.86,357 8.995,358 2.726,359 3.958,360 3.145,361 5.966,362 3.743,363 2.791,364 3.287,365 0.8,366 8.685,367 2.621,368 3.84,369 2.967,370 5.593,371 3.52,372 2.583,373 3.128,374 0.4,375 7.665,376 2.424,377 3.668,378 2.777,379 5.466,380 3.441,381 2.492,382 2.803,383 0.247,384 7.313,385 2.342,386 3.488,387 2.614,388 5.431,389 3.244,390 2.322,391 2.675,392 0.172,393 7.078,394 2.137,395 3.449,396 2.424,397 4.94,398 3.036,399 2.057,400 2.613,402 5.687,403 2,404 3.187,405 2.274,406 4.879,407 2.839,408 1.881,409 2.34,411 5.638,412 1.794,413 2.88,414 2.093,415 4.78,416 2.813,417 1.879,418 2.023,420 5.303,421 1.735,422 2.879,423 1.967,424 4.597,425 2.456,426 1.547,427 1.879,428 4.584,429 1.401,430 2.697,431 1.567,432 4.551,433 2.372,434 1.457,435 1.732,436 4.482,437 1.321,438 2.685,439 1.459,440 4.368,441 2.306,442 1.369,443 1.676,445 4.041,446 1.273,447 2.5,448 1.146,449 3.629,450 2,451 1,452 1.5,454 2.275,455 1,456 2,457 1.099,458 3.414,459 1.967,460 1,461 1,463 2.275,464 0.965,465 18.8,466 0.482,467 1.184,468 0.03,469 46.75,470 1.199,471 19.5,472 0.5,473 27.25,474 0.699,475 41.827,476 1.072,477 43.6,478 0.606,479 38.184,480 0.979,481 8.527,482 0.219,483 10.219,484 0.262,485 0.106,486 0.044,487 0.33,493 0.688,494 1.562,495 0.779,496 1.215,497 0.612,498 1.012,499 0.861,500 1.011,501 0.923,502 0.904,503 0.494,504 0.87,505 1.232,506 1.135,507 1.165,508 1.088,509 1.003,510 1.035,511 0.994,512 1.031,513 0.971,514 0.958,515 1.08,516 0.997,517 0.863,518 0.894,519 1.062,520 0.938,521 0.956,522 0.868,523 0.711,524 1.049,525 1.228,526 1.22,527 0.543,528 1.109,529 0.766,530 1.256,531 1.059,532 1.191,533 0.659,534 1.185,535 0.664,536 0.987,537 0.908,538 1.014,539 0.466,540 1.033,541 10.5,542 0.355,543 4,544 2.604,545 1.795,546 1.629,547 0.856,548 0.739,549 0.471,550 0.444,551 25406,552 71240,553 2.132,554 45.8,556 27,559 2,561 4,564 1.797,565 1.991,566 3.726,567 0.238,573 125.907,574 1.749,575 3.796,576 4.89,577 5.26,578 5.26,579 5.26,580 3.251,581 4.805,582 5.247,583 3.969,584 2941.07,585 9.28,586 49945.4,591 444.235,592 1.538,593 5.212,594 0.239,595 0.007,596 0.062,597 0.041,598 0.031,599 0.027,600 0.014,601 0.013,602 0.009,603 0.009,604 0.451,605 0.33,606 0.63,607 1.006,608 218.163,609 0.027,610 -0.298,611 0.172,612 -0.091,613 -0.089,614 -0.001,615 0.129,616 0.144,617 0.041,618 0.099,619 0.234,620 0.082,621 -0.178,622 -0.076,623 -0.131,624 -0.054,625 -0.091,626 -0.06,627 -0.113,628 -0.038,629 -0.025,630 0.013,631 -0.088,632 -0.004,633 -0.008,634 0.116,635 0.018,636 0.134,637 -0.058,638 0.151,639 -0.035,640 0.089,641 -0.129,642 -0.071,643 -0.056,644 -0.076,645 -0.052,646 -0.174,647 -0.092,648 -0.129,649 -0.067,650 -0.161,651 0.083,652 0.051,653 0.021,654 -0.043,655 0.082,656 -0.039,657 4.071,658 4.895,659 0.744,660 53.897,661 1.009,662 1.133,663 1.689,664 2.851,665 0.667,666 3.807,667 4.19,668 4.454,669 4.754,670 5.024,671 5.226,672 5.451,673 5.656,674 5.846,675 6.073,676 8.39,677 0.628,678 571.8,679 3.807,680 5.389,681 6.252,682 7.155,683 8.036,684 8.943,685 9.834,686 10.743,687 11.641,688 12.553,689 9.7,692 2,695 1,696 2,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,731 72,733 19,734 1,735 44,737 77,738 26,739 12,740 2,741 4,746 6,747 8,751 1,755 4,758 4,761 13,762 13,766 3,769 1,771 3,775 1,781 33,782 11,783 2,784 13,785 2,790 7,794 0.667,795 4,801 1,806 1,811 2,812 4,813 1,815 1,836 1,839 1,840 4,842 2,844 2,848 39,852 1,854 9,855 2,856 1,858 2,859 3,865 1,870 5.6,873 3,874 1,877 19.583,878 13.333,879 8.194,880 4.331,881 3.088,882 1.346,883 1.013,884 7.612,885 12.021,886 4.025,887 4.642,888 5.132,889 5.727,890 6.288,891 6.735,892 7.261,893 7.756,894 8.126,895 8.572,896 0.9,897 63,898 14.674,900 6.582,901 7.75,902 28.219,904 24.472,905 2.25,906 87.75,910 364.904,911 138.984,912 77.36,914 80.458,916 37.085,917 101.899,918 445.362,919 77.36,920 15.587,921 55.83,922 53.189,923 114.029,924 18.182,925 8.708,926 396.182,928 364.904,929 179.259,930 80.458,931 37.085,933 320.148,934 116.542,935 11,937 62.618,938 80.743,939 39.378,940 31.278,941 364.904,942 157.818,943 138.984,945 5.807,946 364.904,947 70.209,948 70.735,949 36.022,950 114.029,951 364.904,952 157.818,953 138.984,955 0.598,956 0.336,957 0.173,958 0.095,959 34,960 15,961 0.078,962 6,963 3,964 1.172,965 4.871,966 405.009,967 0.207,968 28,969 190.131,970 1,973 1,974 26.999,975 10.996,976 5.968,977 1.985,978 157.818,979 9.694,980 10.034,983 1.721,984 4.348,986 36.022,987 661.706,988 55,991 -3.155,993 35.461,997 -0.27,999 72.661,1000 81.563,1001 0.283,1002 0.615,1003 0.793,1004 0.853,1005 0.853,1006 0.853,1007 5.318,1008 2.057,1009 6.279,1010 7.078,1011 4.875,1012 5.33,1013 2.309,1014 7.128,1015 4.745,1016 6.54,1017 1.881,1018 7.864,1019 5.687,1020 4.635,1021 5.407,1022 1.404,1023 8.189,1024 4.426,1025 7.882,1026 1.879,1027 9.55,1028 5.638,1029 6.55,1030 7.585,1031 2.621,1032 11.225,1033 6.288,1034 9.257,1035 1.547,1036 11.296,1037 5.303,1038 7.083,1039 8.475,1040 2.398,1041 13.092,1042 6.732,1043 10.668,1044 1.457,1045 13.082,1046 4.584,1047 8.514,1048 10.215,1049 3.311,1050 15.7,1051 8.112,1052 12.103,1053 1.369,1054 14.898,1055 4.482,1056 9.391,1057 11.452,1058 3.429,1059 17.901,1060 8.899,1061 13.557,1062 1,1063 16.736,1064 4.041,1065 10.646,1066 13.044,1067 4.176,1068 20.38,1069 10.095,1070 3.314,1071 1,1072 18.592,1073 2.275,1074 11.682,1075 14.432,1076 4.471,1077 22.718,1078 11.043,1079 3.236,1080 11.657,1081 20.463,1082 2.275,1083 12.874,1084 15.97,1085 5.117,1086 25.161,1087 12.169,1088 2.868,1089 11.149,1090 22.346,1091 4.578,1092 13.982,1093 17.425,1094 5.506,1095 27.556,1096 13.194,1097 2.791,1098 8.995,1099 24.24,1100 4.51,1101 15.155,1102 18.944,1103 6.093,1104 29.99,1105 14.296,1106 2.583,1107 8.685,1108 26.142,1109 3.791,1110 16.298,1111 20.43,1112 6.532,1113 32.41,1114 15.358,1115 2.492,1116 7.665,1117 28.052,1118 3.287,1119 17.469,1120 21.943,1121 7.084,1122 34.845,1123 16.454,1124 2.322,1125 7.313,1126 29.968,1127 3.128,1128 18.63,1129 23.442,1130 7.551,1131 37.275,1132 17.536,1133 23691,1134 39821,1135 29.531,1136 48.051,1137 67.095,1138 69.574,1139 68.242,1140 67.035,1141 67.038,1142 83.014,1143 10.104,1144 201.986,1145 62.715,1146 5.743,1147 6.375,1148 6.662,1149 5.391,1150 5.314,1151 7.578,1152 2.912,1153 18.947,1154 5.077,1155 20.203,1156 1.525,1157 1.581,1158 1.551,1159 1.524,1160 1.524,1161 1.887,1162 0.23,1163 4.591,1164 1.425,1165 4.12,1166 4.145,1167 4.722,1168 4.079,1169 7.716,1170 4.039,1171 4.005,1172 4.002,1173 4.338,1174 3.953,1175 7.431,1176 3.832,1177 3.902,1178 3.94,1179 3.881,1180 3.833,1181 6.999,1182 3.816,1183 3.871,1184 3.895,1185 3.806,1186 3.738,1187 5.049,1188 3.74,1189 3.656,1190 3.688,1191 3.611,1192 3.486,1193 4.702,1194 3.464,1195 3.545,1196 3.61,1197 3.495,1198 3.273,1199 4.66,1200 3.305,1201 3.339,1202 3.4,1203 3.339,1204 3.17,1205 4.378,1206 3.176,1207 3.176,1208 3.26,1209 3.081,1210 2.977,1211 4.223,1212 2.979,1213 0.108,1214 0.099,1215 0.162,1216 0.097,1217 0.075,1218 4.743,1219 0.104,1220 4.375,1221 0.038,1222 7.111,1223 0.265,1224 4.248,1225 0.07,1226 3.314,1227 4.578,1228 1.656,1229 11.657,1230 3.077,1231 1.946,1232 1.918,1233 2.023,1234 2.064,1235 1.334,1236 2.068,1237 1.854,1238 1.844,1239 1.971,1240 2.04,1241 1.255,1242 2.05,1243 1.776,1244 1.743,1245 1.887,1246 1.942,1247 1.219,1248 1.932,1249 1.626,1250 1.611,1251 1.86,1252 1.798,1253 1.106,1254 1.819,1255 1.604,1256 1.543,1257 1.725,1258 1.76,1259 0.989,1260 1.798,1261 1.562,1262 1.527,1263 1.691,1264 1.754,1265 0.866,1266 1.765,1267 1.423,1268 1.379,1269 1.6,1270 1.702,1271 0.832,1272 1.702,1273 1.399,1274 1.347,1275 1.514,1276 1.507,1277 0.825,1278 1.559,1279 4.489,1281 5.855,1282 3.045,1283 7.397,1284 5.416,1285 9.017,1286 7.506,1287 10.682,1289 2.854,1295 6.981,1296 5.334,1297 6.094,1299 0.468,1300 6.2,1305 45.232,1306 125.907,1307 273.294,1308 352.096,1309 378.725,1310 378.725,1311 378.725,1312 74.368,1313 8.932,1314 120,1315 156.62,1316 34,1317 13.07,1318 4.322,1319 3.585,1320 54.989,1321 192,1322 226,1323 0.137,1324 278.199,1325 479.56,1326 670.565,1327 99023,1329 27.148,1330 0.696,1331 0.608,1332 27.751,1333 23.724,1334 18.746,1335 0.426,1336 0.361,1337 13.225,1338 16.676,1339 12.691,1340 10.376,1341 20.048,1342 15.89,1343 18.283,1344 0.281,1345 0.208,1346 20.312,1347 13.499,1348 14.834,1349 0.175,1350 0.117,1351 16.378,1352 9.964,1353 12.476,1354 0.108,1355 0.065,1356 13.93,1357 7.491,1358 10.262,1359 0.068,1360 0.035,1361 11.51,1362 5.315,1363 0.216,1364 131.416,1365 0.184,1366 35.174,1367 0.375,1368 218,1369 637.554,1370 302.296,1371 646.16,1372 881.45,1373 602,1374 259,1375 611.064,1376 349.297,1377 660.975,1378 971.1,1379 620,1380 7.337}
{0 CHEMBL604247,1 1.535,2 13.472,3 2.604,4 6.779,5 137.237,6 7.249,7 0.537,8 4.32,9 4.446,10 3.881,11 3.82,12 5.352,13 3.809,14 4.899,15 5.09,16 4.248,17 4.237,18 5.865,19 4.207,20 5.153,21 5.371,22 4.306,23 4.407,24 6.082,25 4.33,26 5.249,27 5.514,28 4.264,29 4.419,30 6.09,31 4.315,32 5.199,33 5.449,34 4.298,35 4.401,36 6.103,37 4.318,38 5.161,39 5.386,40 4.3,41 4.407,42 6.082,43 4.335,44 5.197,45 5.43,46 4.264,47 4.414,48 6.081,49 4.318,50 5.228,51 5.473,52 4.184,53 4.408,54 6.095,55 4.294,56 0.021,57 1.061,58 14.518,59 5.758,60 10.703,61 7.993,62 0.361,63 1.744,64 28.78,65 9.414,66 28.06,67 13.526,68 0.484,69 2.122,70 38.181,71 12.834,72 47.203,73 18.834,74 0.497,75 2.246,76 43.748,77 14.18,78 45.395,79 21.605,80 0.499,81 2.162,82 41.191,83 12.886,84 55.872,85 19.891,86 0.515,87 2.18,88 38.469,89 11.855,90 42.416,91 17.87,92 0.521,93 2.149,94 40.347,95 13.431,96 43.798,97 20.077,98 0.456,99 2.126,100 42.314,101 14.347,102 49.062,103 21.079,104 5,105 58,106 0.241,107 0.582,108 0.773,109 0.814,110 0.823,111 0.823,112 3.616,113 0.924,114 -4.57,115 -4.5,116 -4.23,119 40.3,120 1,121 2,125 7,127 1,142 5,143 3,144 1,145 2,146 1,147 1,149 1,160 1,161 1,172 8,174 4,175 8,180 1,183 9,186 4,187 5,190 1,192 1,195 5,198 6,199 8,207 3,211 1,212 4,215 2,220 4,223 5,224 7,232 6,236 3,237 3,240 2,245 4,249 2,250 8,253 1,258 2,262 1,263 8,268 2,275 2636,276 24.894,277 24.894,278 24.894,279 24.894,280 24.894,281 22.332,282 31.588,283 14.711,284 25.622,285 20.301,286 20.301,287 20.301,288 20.301,289 20.301,290 16.411,291 40.724,292 7.074,293 21.504,294 4.532,295 2.354,296 1.14,297 0.877,298 0.817,299 0.817,300 4.337,305 1,306 1088,307 2.646,310 81.089,311 544.886,314 147.648,318 2.142,319 29.487,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 77.5,331 485,332 4.694,333 3.38,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.078,341 4.19,342 3.079,343 6.33,344 3.82,345 2.871,346 3.81,347 0.86,348 9.599,349 2.737,350 4.035,351 2.958,352 6.124,353 3.725,354 2.769,355 3.62,356 0.8,357 9.006,358 2.66,359 3.983,360 2.873,361 5.644,362 3.652,363 2.685,364 3.354,365 0.172,366 7.779,367 2.587,368 3.609,369 2.631,370 5.531,371 3.391,372 2.438,373 2.996,375 7.149,376 2.305,377 3.589,378 2.499,379 5.156,380 3.198,381 2.257,382 2.778,384 6.377,385 2.13,386 3.401,387 2.36,388 5.05,389 3.119,390 2.163,391 2.549,393 6.074,394 2.057,395 3.169,396 2.24,397 4.837,398 2.903,399 1.94,400 2.252,402 5.469,403 1.854,404 2.944,405 2.091,406 4.723,407 2.629,408 1.713,409 2.138,411 4.8,412 1.563,413 2.888,414 1.543,415 4.326,416 2.399,417 1.471,418 1.956,420 4.039,421 1.361,422 2.652,423 1.532,424 4.079,425 2.147,426 1.263,427 1.718,428 3.176,429 1.11,430 2.5,431 1.256,432 3.751,433 2.099,434 1.178,435 1.5,436 2.893,437 1.082,438 2.492,439 1.197,440 3.476,441 2,442 1.04,443 1.488,445 2.528,446 1,447 2.383,448 1.077,449 3.414,450 1.984,451 1,452 1.371,454 2.275,455 0.983,456 2.005,457 1.065,458 3.414,459 1.968,460 1,461 1,463 2.275,464 0.961,465 16.967,466 0.471,467 0.794,468 0.022,469 46.5,470 1.292,471 21,472 0.583,473 25.5,474 0.708,475 34.01,476 0.945,477 38.833,478 0.58,479 35.972,480 0.999,481 8.901,482 0.247,483 8.735,484 0.243,485 0.049,487 0.336,493 0.926,494 1.569,495 0.794,496 1.204,497 0.857,498 1.016,499 1.184,500 1.053,501 0.938,502 0.901,503 0.729,504 0.881,505 0.946,506 1.175,507 1.023,508 1.083,509 0.798,510 1.07,511 0.673,512 0.967,513 0.893,514 0.949,515 0.64,516 0.942,517 0.785,518 1.075,519 0.879,520 0.915,521 0.761,522 0.899,523 1.034,524 1.05,525 1.139,526 1.033,527 0.891,528 1.07,529 0.788,530 1.116,531 1.046,532 1.119,533 0.752,534 1.111,535 0.923,536 1.004,537 1.083,538 1.111,539 0.909,540 1.112,541 6.5,542 0.18,543 3.778,544 1.785,545 1.867,546 1.275,547 0.975,548 0.582,549 0.332,550 0.273,551 20902,552 48484,553 2.203,554 46.3,555 3,556 20,558 3,559 1,562 4,564 1.776,565 2.118,566 3.648,567 -0.355,573 102.814,574 1.535,575 3.712,576 4.926,577 5.189,578 5.249,579 5.249,580 3.121,581 4.76,582 5.134,583 3.866,584 2435.72,585 9.043,586 38452,591 406.428,592 1.194,593 5.125,594 0.159,595 0.006,596 0.065,597 0.03,598 0.033,599 0.022,600 0.017,601 0.011,602 0.007,603 0.007,604 0.355,605 0.17,606 0.75,607 0.375,608 195.851,609 -0.034,610 -0.345,611 0.082,612 -0.121,613 -0.014,614 -0.024,615 -0.074,616 0.096,617 0.016,618 0.082,619 0.045,620 0.064,621 0.024,622 -0.11,623 -0.065,624 -0.089,625 0.057,626 -0.097,627 0.086,628 0.042,629 0.08,630 0.018,631 0.053,632 0.043,633 0.065,634 -0.044,635 0.094,636 0.053,637 0.066,638 0.076,639 -0.079,640 0.073,641 -0.178,642 -0.084,643 -0.127,644 -0.131,645 0.096,646 -0.07,647 -0.086,648 -0.131,649 0.013,650 -0.132,651 -0.022,652 -0.003,653 -0.114,654 -0.118,655 0.006,656 -0.122,657 1.571,658 4.001,659 0.917,660 44.827,661 1,662 1.133,663 3.344,664 11.183,665 0.658,666 3.738,667 4.078,668 4.382,669 4.691,670 4.99,671 5.124,672 5.371,673 5.58,674 5.74,675 5.894,676 7.822,677 0.625,678 485.65,679 3.738,680 5.293,681 6.159,682 7.048,683 7.933,684 8.831,685 9.727,686 10.632,687 11.535,688 12.444,689 10.4,692 1,695 1,697 1,699 4,703 2,704 8,705 4,709 6,710 1,711 22,726 1,728 1,731 67,733 22,734 1,735 41,737 72,738 27,739 16,740 2,741 4,746 6,747 7,752 1,755 3,758 3,761 16,762 11,781 31,782 8,783 1,784 9,787 1,790 7,794 0.833,795 2,805 1,806 1,811 1,812 5,815 1,836 1,839 1,840 5,844 1,848 36,853 1,854 9,856 1,858 1,859 2,870 3,872 1,874 1,877 17,878 12.267,879 7.75,880 4.185,881 3.77,882 1.43,883 0.997,884 6.574,885 12.541,886 3.97,887 4.577,888 5.187,889 5.809,890 6.388,891 6.755,892 7.252,893 7.72,894 8.07,895 8.446,896 0.889,897 59,898 13.345,900 5.75,901 7.546,902 26.149,904 22.187,905 2.046,906 73.667,910 353.133,911 125.774,912 75.29,914 53.683,917 125.774,918 406.816,919 75.29,920 8.825,921 24.782,922 47.381,923 166.473,924 40.271,925 2.328,926 317.82,928 353.133,929 201.064,930 53.683,933 308.377,934 89.768,935 11,937 69.204,938 62.39,939 67.142,941 353.133,942 128.973,943 125.774,946 353.133,947 42.854,948 91.068,950 120.825,951 353.133,952 128.973,953 125.774,955 0.583,956 0.339,957 0.187,958 0.109,959 30,960 12,961 0.069,962 5,963 1,964 1.061,965 4.696,966 365.445,967 0.061,968 33,969 174.117,974 23.353,975 10.135,976 4.973,977 1.651,978 127.074,979 15.513,980 18.754,984 4.803,985 2.226,986 42.683,987 607.88,988 52,999 66.97,1000 75.889,1001 0.253,1002 0.612,1003 0.812,1004 0.855,1005 0.865,1006 0.865,1007 5.223,1008 1.94,1009 6.138,1010 6.074,1011 4.762,1012 5.265,1013 1.598,1014 6.956,1015 4.652,1016 6.414,1017 1.713,1018 7.693,1019 5.469,1020 4.29,1021 5.037,1022 0.57,1023 7.847,1024 4.132,1025 7.716,1026 1.471,1027 9.348,1028 4.8,1029 6.358,1030 7.464,1031 1.256,1032 10.979,1033 6.145,1034 9.054,1035 1.263,1036 11.063,1037 4.039,1038 6.723,1039 8.115,1040 0.581,1041 12.741,1042 6.454,1043 10.427,1044 1.178,1045 12.819,1046 3.176,1047 8.237,1048 10.005,1049 1.023,1050 15.392,1051 7.916,1052 11.827,1053 1.04,1054 14.605,1055 2.893,1056 9,1057 11.088,1058 0.515,1059 17.528,1060 8.615,1061 13.247,1062 1,1063 16.413,1064 2.528,1065 10.287,1066 12.755,1067 0.84,1068 20.023,1069 9.848,1070 3.289,1071 1,1072 18.238,1073 2.275,1074 11.251,1075 14.06,1076 0.441,1077 22.326,1078 10.742,1079 2.871,1080 11.617,1081 20.078,1082 2.275,1083 12.447,1084 15.634,1085 0.689,1086 24.773,1087 11.88,1088 2.769,1089 9.599,1090 21.93,1091 4.638,1092 13.511,1093 17.051,1094 0.373,1095 27.15,1096 12.873,1097 2.685,1098 9.006,1099 23.791,1100 3.81,1101 14.677,1102 18.59,1103 0.564,1104 29.586,1105 13.975,1106 2.438,1107 7.779,1108 25.661,1109 3.62,1110 15.792,1111 20.063,1112 0.314,1113 31.998,1114 15.018,1115 2.257,1116 7.149,1117 27.538,1118 3.354,1119 16.952,1120 21.591,1121 0.461,1122 34.435,1123 16.111,1124 2.163,1125 6.377,1126 29.421,1127 2.996,1128 18.094,1129 23.093,1130 0.264,1131 36.864,1132 17.181,1133 19107,1134 29347,1135 28.433,1136 44.086,1137 62.255,1138 62.289,1139 62.921,1140 62.042,1141 61.99,1142 78.629,1143 5.498,1144 179.248,1145 58.524,1146 5.694,1147 5.38,1148 6.705,1149 5.328,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.078,1155 12.061,1156 1.518,1157 1.519,1158 1.535,1159 1.513,1160 1.512,1161 1.918,1162 0.134,1163 4.372,1164 1.427,1165 4.139,1166 4.192,1167 4.115,1168 3.969,1169 6.471,1170 3.997,1171 3.947,1172 3.985,1173 3.876,1174 3.875,1175 5.141,1176 3.872,1177 3.856,1178 3.896,1179 3.804,1180 3.732,1181 4.788,1182 3.744,1183 3.781,1184 3.835,1185 3.677,1186 3.614,1187 4.743,1188 3.621,1189 3.692,1190 3.751,1191 3.578,1192 3.481,1193 4.62,1194 3.497,1195 3.335,1196 3.404,1197 3.246,1198 3.174,1199 4.459,1200 3.17,1201 3.211,1202 3.28,1203 3.094,1204 3.012,1205 4.27,1206 3.036,1207 3.111,1208 3.206,1209 2.902,1210 2.941,1211 4.027,1212 2.91,1213 0.114,1214 0.082,1215 0.168,1216 0.103,1217 0.08,1218 4.694,1219 0.113,1220 3.38,1221 0.022,1222 6.903,1223 0.283,1224 4.225,1225 0.075,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.078,1231 1.952,1232 1.917,1233 2.091,1234 2.105,1235 1.432,1236 2.096,1237 1.912,1238 1.876,1239 2.018,1240 2.046,1241 1.213,1242 2.038,1243 1.817,1244 1.767,1245 1.961,1246 1.967,1247 1.182,1248 1.978,1249 1.735,1250 1.688,1251 1.896,1252 1.934,1253 0.985,1254 1.924,1255 1.555,1256 1.506,1257 1.669,1258 1.767,1259 0.854,1260 1.744,1261 1.379,1262 1.308,1263 1.605,1264 1.626,1265 0.825,1266 1.61,1267 1.233,1268 1.158,1269 1.513,1270 1.451,1271 0.825,1272 1.478,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.744,1278 1.429,1279 4.419,1281 5.753,1282 2.398,1283 7.284,1284 4.727,1285 8.903,1286 6.862,1287 10.569,1289 2.126,1294 10.001,1295 7.96,1297 5.564,1299 0.326,1300 4.743,1305 41.901,1306 102.814,1307 248.711,1308 330.063,1309 347.673,1310 351.673,1311 351.673,1312 51.614,1313 8.771,1314 92.43,1315 92.43,1316 35,1317 12.962,1318 4.524,1319 3.585,1320 48.956,1321 163,1322 213,1323 0.141,1324 251.682,1325 426.08,1326 605.864,1327 86365,1329 24.485,1330 0.68,1331 0.571,1332 24.485,1333 20.546,1334 17.636,1335 0.43,1336 0.308,1337 12.431,1338 16.88,1339 12.172,1340 9.994,1341 17.636,1342 12.634,1343 16.037,1344 0.276,1345 0.168,1346 16.037,1347 9.719,1348 13.831,1349 0.175,1350 0.091,1351 13.831,1352 7.173,1353 11.854,1354 0.11,1355 0.048,1356 11.854,1357 5.151,1358 10.257,1359 0.07,1360 0.026,1361 10.257,1362 3.816,1363 0.223,1364 110.89,1365 0.188,1366 32.925,1367 0.388,1368 198,1369 527.401,1370 217.664,1371 509.563,1372 712.5,1373 482,1374 236,1375 536.329,1376 258.414,1377 543.496,1378 802.58,1379 511,1380 7.377}
{0 CHEMBL604303,1 1.723,2 14.229,3 3.665,4 13.431,5 132.954,6 8.131,7 0.462,8 4.238,9 4.356,10 3.881,11 3.717,12 5.324,13 3.726,14 4.796,15 4.968,16 4.244,17 4.101,18 5.905,19 4.085,20 5.021,21 5.231,22 4.26,23 4.234,24 6.033,25 4.181,26 5.003,27 5.243,28 4.178,29 4.163,30 6.044,31 4.106,32 4.949,33 5.177,34 4.219,35 4.113,36 6.08,37 4.092,38 4.879,39 5.067,40 4.2,41 4.171,42 5.939,43 4.142,44 4.982,45 5.172,46 4.242,47 4.3,48 6.01,49 4.225,50 5.171,51 5.41,52 4.1,53 4.367,54 6.052,55 4.214,56 0.107,57 0.955,58 11.271,59 4.949,60 7.803,61 6.387,62 0.656,63 1.494,64 24.406,65 8.493,66 40.408,67 10.916,68 0.724,69 1.747,70 35.266,71 10.505,72 48.887,73 14.495,74 0.604,75 1.744,76 34.798,77 9.829,78 53.241,79 14.421,80 0.783,81 1.647,82 31.558,83 8.493,84 69.594,85 12.483,86 0.551,87 1.641,88 26.768,89 8.416,90 39.966,91 11.343,92 0.671,93 1.769,94 29.575,95 10.788,96 47.02,97 14.783,98 0.548,99 1.883,100 40.046,101 16.356,102 58.081,103 22.663,104 5,105 53,106 0.277,107 0.571,108 0.652,109 0.694,110 0.71,111 0.715,112 3.588,113 0.913,114 -4.52,115 -4.44,116 -4.18,119 39.3,125 8,142 8,143 1,144 3,149 1,150 2,159 1,172 6,174 7,175 2,178 2,179 1,180 4,183 8,186 2,187 4,192 4,195 6,198 3,199 11,204 5,211 4,212 10,217 5,224 7,227 2,229 1,232 4,236 4,237 3,242 1,245 8,249 2,250 4,253 5,258 6,263 4,271 4,275 2472,276 24.101,277 24.101,278 24.101,279 24.101,280 24.101,281 21.863,282 34.234,283 14.546,284 25.041,285 19.329,286 19.329,287 19.329,288 19.329,289 19.329,290 15.887,291 51.195,292 7.029,293 20.884,294 4.207,295 2.373,296 1.869,297 1.607,298 1.508,299 1.475,300 4.299,301 1,305 1,306 1099,307 3.082,311 624.08,318 2.266,319 34.412,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 76.833,331 498,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.084,342 3.246,343 6.024,344 3.722,345 2.763,346 3.637,347 0.86,348 8.666,349 2.627,350 4.021,351 3.013,352 6.016,353 3.624,354 2.684,355 3.588,356 0.86,357 8.629,358 2.54,359 3.795,360 2.937,361 5.582,362 3.591,363 2.668,364 3.078,365 0.8,366 7.67,367 2.432,368 3.769,369 2.81,370 5.361,371 3.409,372 2.46,373 2.972,374 0.8,375 7.022,376 2.328,377 3.519,378 2.478,379 4.961,380 3.097,381 2.173,382 2.81,383 0.247,384 5.891,385 1.989,386 3.242,387 2.383,388 4.71,389 2.853,390 1.939,391 2.444,393 5.164,394 1.747,395 3.08,396 2.294,397 4.563,398 2.735,399 1.777,400 2.165,402 4.773,403 1.631,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.879,411 4.065,412 1.488,413 2.732,414 1.716,415 4.184,416 2.285,417 1.366,418 1.808,420 3.666,421 1.249,422 2.5,423 1.288,424 3.508,425 2,426 1.086,427 1.5,428 2.669,429 1,430 2.5,431 1.274,432 3.472,433 2,434 1,435 1.5,436 2.509,437 1,438 2.231,439 1.256,440 3.414,441 1.965,442 1,443 1.213,445 2.275,446 0.949,447 2.166,448 1.256,449 3.414,450 1.952,451 1,452 1.132,454 2.275,455 0.946,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 16.514,466 0.472,467 0.708,468 0.02,469 46.5,470 1.329,471 21.5,472 0.614,473 25,474 0.714,475 29.309,476 0.837,477 38.086,478 0.624,479 36.882,480 1.054,481 9.261,482 0.265,483 7.875,484 0.225,485 0.063,487 0.291,493 0.85,494 1.603,495 0.636,496 1.15,497 0.627,498 0.964,499 1.056,500 0.937,501 0.811,502 0.862,503 0.663,504 0.898,505 1.141,506 1.181,507 1,508 0.954,509 0.982,510 0.973,511 0.886,512 1.13,513 0.911,514 0.972,515 0.939,516 0.962,517 1.013,518 1.016,519 0.722,520 0.748,521 1.367,522 0.775,523 1.191,524 1.086,525 0.989,526 0.946,527 1.3,528 0.999,529 0.659,530 1.033,531 0.931,532 1.145,533 0.557,534 1.211,535 0.369,536 1.026,537 0.813,538 1.311,539 0.38,540 1.297,541 6.5,542 0.149,543 3.111,544 1.438,545 1.4,546 1.486,547 0.728,548 0.203,549 0.31,550 0.294,551 20213,552 59141,553 2.158,554 42.6,556 24,559 2,564 1.767,565 2.079,566 3.735,567 0.247,573 105.118,574 1.723,575 3.558,576 4.062,577 4.324,578 4.423,579 4.455,580 3.215,581 4.136,582 5.096,583 3.958,584 2354.76,585 8.948,586 37992.1,591 361.775,592 1.15,593 5.086,594 0.167,595 0.005,596 0.059,597 0.027,598 0.029,599 0.029,600 0.014,601 0.004,602 0.007,603 0.009,604 0.349,605 0.17,606 0.63,607 0.383,608 191.412,609 -0.075,610 -0.362,611 0.044,612 -0.146,613 -0.037,614 -0.038,615 0.029,616 0.196,617 -0.007,618 0.077,619 0.088,620 0.004,621 -0.15,622 -0.142,623 -0.077,624 0.003,625 -0.091,626 -0.022,627 -0.078,628 -0.071,629 -0.03,630 -0.057,631 -0.029,632 -0.014,633 -0.017,634 0.057,635 0.07,636 0.131,637 -0.039,638 0.133,639 -0.258,640 0.075,641 -0.206,642 -0.029,643 -0.22,644 -0.101,645 0.071,646 0.088,647 -0.177,648 -0.165,649 0.051,650 -0.248,651 0.229,652 -0.102,653 -0.01,654 -0.26,655 0.171,656 -0.215,657 2.01,658 5.342,659 0.857,660 44.039,661 1.014,662 1.135,663 3.288,664 10.809,665 0.67,666 3.689,667 3.989,668 4.234,669 4.489,670 4.762,671 4.804,672 5.004,673 5.13,674 5.263,675 5.38,676 8.321,677 0.646,678 496.02,679 3.689,680 5.22,681 6.057,682 6.919,683 7.771,684 8.639,685 9.499,686 10.37,687 11.237,688 12.111,689 11.5,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,730 1,731 61,733 19,734 2,735 39,737 65,738 24,739 15,740 4,741 8,746 5,747 5,748 1,751 1,761 16,762 8,766 1,771 1,775 1,781 26,782 10,783 2,784 11,785 1,790 7,794 1,795 3,812 5,839 2,840 5,845 1,848 35,854 8,855 2,856 2,859 2,869 1,870 4.9,873 1,874 2,877 16.833,878 10.81,879 7.667,880 3.634,881 3.206,882 1.394,883 0.995,884 7.713,885 11.338,886 3.912,887 4.449,888 4.958,889 5.51,890 6.073,891 6.277,892 6.703,893 7.055,894 7.371,895 7.728,896 1,897 53,898 12.931,900 5.473,901 7.713,902 24.737,904 20.117,905 2.213,906 77.444,910 282.506,911 125.204,912 92.627,913 39.149,914 47.145,917 125.204,918 368.8,919 92.627,921 62.814,922 75.81,923 97.501,924 20.776,925 8.074,926 282.506,927 39.149,928 282.506,929 217.831,930 47.145,931 39.149,933 284.834,934 25.145,935 22,937 66.612,938 98.534,939 89.505,941 282.506,942 139.771,943 164.353,946 282.506,947 49.394,948 82.059,949 36.022,950 136.65,951 282.506,952 139.771,953 164.353,955 0.574,956 0.325,957 0.177,958 0.103,959 25,960 10,961 0.077,962 5,964 1,965 4.705,966 329.09,968 30,969 147.525,974 23.914,975 11.288,976 6.256,978 139.771,979 14.341,980 14.264,984 4.614,986 36.022,987 586.63,988 49,993 12.342,997 -0.343,999 61.854,1000 69.212,1001 0.291,1002 0.6,1003 0.685,1004 0.729,1005 0.746,1006 0.751,1007 5.145,1008 1.777,1009 6.014,1010 5.164,1011 4.673,1012 5.136,1013 2.368,1014 6.77,1015 4.529,1016 6.308,1017 1.697,1018 7.531,1019 4.773,1020 4.111,1021 4.783,1022 1.404,1023 7.516,1024 3.879,1025 7.584,1026 1.366,1027 9.144,1028 4.065,1029 6.213,1030 7.214,1031 2.66,1032 10.6,1033 5.938,1034 8.89,1035 1.086,1036 10.814,1037 3.666,1038 6.463,1039 7.653,1040 2.382,1041 12.178,1042 6.105,1043 10.227,1044 1,1045 12.522,1046 2.669,1047 8.006,1048 9.568,1049 3.324,1050 14.746,1051 7.604,1052 11.584,1053 1,1054 14.255,1055 2.509,1056 8.653,1057 10.394,1058 3.421,1059 16.684,1060 8.171,1061 12.958,1062 1,1063 16.008,1064 2.275,1065 9.942,1066 12.068,1067 4.179,1068 19.058,1069 9.412,1070 3.07,1071 1,1072 17.774,1073 2.275,1074 10.797,1075 13.111,1076 4.467,1077 21.165,1078 10.187,1079 2.763,1080 9.93,1081 19.551,1082 2.136,1083 11.967,1084 14.655,1085 5.118,1086 23.464,1087 11.304,1088 2.684,1089 8.666,1090 21.337,1091 4.05,1092 12.932,1093 15.829,1094 5.504,1095 25.653,1096 12.191,1097 2.668,1098 8.629,1099 23.129,1100 3.637,1101 14.049,1102 17.3,1103 6.093,1104 27.926,1105 13.251,1106 2.46,1107 7.67,1108 24.928,1109 3.588,1110 15.073,1111 18.554,1112 6.531,1113 30.156,1114 14.198,1115 2.173,1116 7.022,1117 26.731,1118 3.078,1119 16.17,1120 19.984,1121 7.084,1122 32.424,1123 15.233,1124 1.939,1125 5.891,1126 28.538,1127 2.972,1128 17.226,1129 21.288,1130 7.551,1131 34.676,1132 16.214,1133 18754,1134 32261,1135 26.929,1136 40.875,1137 57.993,1138 59.643,1139 58.288,1140 57.893,1141 57.77,1142 72.02,1143 10.446,1144 159.949,1145 53.526,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 11.753,1156 1.487,1157 1.529,1158 1.495,1159 1.484,1160 1.481,1161 1.847,1162 0.268,1163 4.101,1164 1.372,1165 4.013,1166 4.059,1167 4.009,1168 3.897,1169 7.431,1170 3.905,1171 3.901,1172 3.934,1173 3.951,1174 3.83,1175 5.078,1176 3.825,1177 3.83,1178 3.874,1179 3.768,1180 3.637,1181 4.945,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.702,1188 3.533,1189 3.556,1190 3.609,1191 3.517,1192 3.32,1193 4.616,1194 3.353,1195 3.392,1196 3.433,1197 3.422,1198 3.119,1199 4.591,1200 3.168,1201 3.111,1202 3.206,1203 3.181,1204 2.941,1205 4.377,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.022,1212 2.91,1213 0.113,1214 0.091,1215 0.164,1216 0.102,1217 0.079,1218 4.394,1219 0.104,1220 3.562,1221 0.042,1222 6.383,1223 0.255,1224 3.994,1225 0.073,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.932,1232 1.902,1233 2.021,1234 2.081,1235 1.208,1236 2.058,1237 1.878,1238 1.853,1239 1.968,1240 1.994,1241 1.187,1242 1.988,1243 1.756,1244 1.699,1245 1.929,1246 1.941,1247 1.1,1248 1.948,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.057,1254 1.926,1255 1.444,1256 1.391,1257 1.535,1258 1.705,1259 0.825,1260 1.666,1261 1.24,1262 1.197,1263 1.513,1264 1.54,1265 0.825,1266 1.494,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.514,1272 1.429,1273 1.153,1274 1.064,1275 1.353,1276 1.376,1277 0.316,1278 1.429,1279 4.369,1281 5.673,1283 7.172,1285 8.753,1287 10.376,1290 5.892,1295 5.516,1296 5.608,1297 10.97,1300 4.241,1305 39.39,1306 105.118,1307 217.02,1308 247.775,1309 263.775,1310 269.775,1311 271.775,1312 52.582,1313 8.132,1314 104.74,1315 104.74,1316 30,1317 12.653,1318 4.322,1319 3.459,1320 52.293,1321 172,1322 204,1323 0.143,1324 242.627,1325 421.44,1326 583.771,1327 41755,1328 1.6,1329 24.037,1330 0.687,1331 0.568,1332 24.537,1333 19.87,1334 17.136,1335 0.439,1336 0.304,1337 11.296,1338 15.967,1339 11.118,1340 9.081,1341 17.425,1342 11.872,1343 15.267,1344 0.288,1345 0.161,1346 15.675,1347 8.558,1348 12.614,1349 0.186,1350 0.088,1351 12.903,1352 5.955,1353 10.516,1354 0.119,1355 0.045,1356 10.682,1357 3.948,1358 8.964,1359 0.077,1360 0.024,1361 9.2,1362 2.732,1363 0.229,1364 111.761,1365 0.193,1366 32.631,1367 0.38,1368 184,1369 582.301,1370 223.143,1371 579.979,1372 783.87,1373 546,1374 213,1375 550.363,1376 246.276,1377 560.327,1378 824.2,1379 528,1380 7.71}
{0 CHEMBL604876,1 1.777,2 7.1,3 1.589,4 2.524,5 76.532,6 8.708,7 0.652,8 3.663,9 3.773,10 3.432,11 3.214,12 4.74,13 3.199,14 4.206,15 4.369,16 3.792,17 3.603,18 5.26,19 3.566,20 4.331,21 4.541,22 3.712,23 3.583,24 5.314,25 3.527,26 4.234,27 4.445,28 3.675,29 3.556,30 5.233,31 3.503,32 4.27,33 4.484,34 3.695,35 3.587,36 5.246,37 3.527,38 4.261,39 4.444,40 3.682,41 3.612,42 5.259,43 3.511,44 4.235,45 4.465,46 3.293,47 3.456,48 5.146,49 3.277,50 3.922,51 4.193,52 2.578,53 3,54 4.632,55 2.736,56 0.056,57 0.573,58 5.74,59 2.846,60 4.203,61 3.205,62 0.312,63 0.926,64 13.701,65 5.02,66 16.683,67 5.447,68 0.391,69 0.991,70 18.603,71 5.629,72 20.977,73 6.953,74 0.238,75 0.937,76 13.533,77 4.955,78 16.205,79 6.4,80 0.315,81 0.952,82 15.47,83 4.725,84 20.681,85 6.105,86 0.264,87 0.953,88 14.802,89 5.326,90 17.229,91 6.163,92 0.336,93 0.819,94 20.626,95 6.576,96 22.265,97 7.531,98 0.207,99 0.51,100 18.022,101 5.746,102 16.241,103 6.855,105 32,106 0.326,107 0.689,108 0.804,109 0.815,110 0.815,111 0.815,112 3.06,113 0.962,114 -3.94,115 -3.89,116 -3.69,119 39.4,125 4,142 2,146 1,147 1,149 1,151 1,152 1,160 1,161 1,172 1,174 2,178 2,183 2,186 4,187 4,198 1,199 2,202 2,211 1,212 2,217 2,223 1,224 3,229 1,236 1,237 1,240 1,250 2,263 1,275 456,276 14.137,277 14.137,278 14.137,279 14.137,280 14.137,281 12.474,282 10.455,283 8.527,284 14.838,285 11.414,286 11.414,287 11.414,288 11.414,289 11.414,290 8.892,291 14.862,292 4.079,293 12.543,294 3.267,295 1.296,296 0.667,297 0.606,298 0.606,299 0.606,300 3.762,303 1,304 1,305 1,306 320,307 1.732,310 82.45,311 95.245,314 68.89,318 0.93,319 14.838,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 43.5,331 142,332 4.603,333 3.304,334 6.731,335 4.127,336 3.192,337 4.529,338 0.86,339 11.011,340 2.983,341 4.103,342 2.829,343 6.102,344 3.658,345 2.74,346 3.706,347 0.8,348 8.909,349 2.503,350 3.738,351 2.641,352 5.765,353 3.416,354 2.5,355 3.05,357 7.806,358 2.288,359 3.285,360 2.233,361 4.683,362 2.727,363 1.823,364 2.655,366 4.795,367 1.642,368 3.015,369 1.8,370 4.534,371 2.673,372 1.765,373 2.101,375 4.687,376 1.597,377 2.635,378 1.555,379 3.751,380 2.135,381 1.256,382 1.695,384 2.974,385 1.1,386 2.404,387 1.256,388 3.472,389 2.03,390 1.124,391 1.382,393 2.508,394 1.012,395 2.299,396 1.146,397 3.383,398 1.952,399 1,400 1.231,402 2.136,403 0.946,404 2.118,405 0.865,406 3.247,407 1.776,408 0.855,409 1,411 2.065,412 0.777,413 2,414 0.618,415 3.174,416 1.464,417 0.618,418 0.927,420 1.372,421 0.507,422 1.909,423 0.551,424 3,425 1.39,426 0.493,427 0.689,428 1.325,429 0.441,430 0.939,431 -0.297,432 2.698,433 0.494,434 -0.421,435 -0.519,436 -1.132,437 -0.384,438 0.626,439 -0.36,440 2.335,441 0.167,442 -0.762,443 -0.954,445 -1.958,446 -0.704,447 0.252,448 -0.714,449 2.171,450 -0.004,451 -0.947,452 -1,454 -2.347,455 -0.846,456 0.048,457 -0.886,458 1.607,459 -0.149,460 -1,461 -1.218,463 -2.516,464 -0.889,465 9.667,466 0.483,467 0.342,468 0.017,469 27.25,470 1.363,471 12.5,472 0.625,473 14.75,474 0.738,475 14.115,476 0.706,477 20.933,478 0.634,479 16.016,480 0.801,481 5.198,482 0.26,483 4.718,484 0.236,487 0.3,493 0.949,494 1.447,495 0.673,496 0.976,497 0.782,498 0.876,499 1.329,500 0.931,501 0.933,502 0.815,503 1.075,504 0.808,505 1.042,506 1.061,507 0.937,508 0.953,509 0.925,510 0.91,511 0.744,512 1.071,513 0.675,514 0.796,515 0.884,516 0.878,517 1.013,518 0.932,519 0.819,520 0.757,521 1.242,522 0.827,523 1.09,524 1.178,525 1.186,526 1.165,527 1.158,528 1.228,529 0.962,530 0.91,531 1.558,532 1.357,533 0.991,534 1.284,535 0.798,536 0.933,537 1.44,538 1.506,539 0.927,540 1.341,541 2.5,543 2,544 0.715,545 0.876,546 0.601,547 0.266,548 0.037,549 0.029,550 0.007,551 3793,552 10586,553 2.259,554 39.4,556 10,557 1,558 1,559 1,564 1.625,565 2.222,566 2.863,567 -0.173,569 1,571 1,573 58.644,574 1.777,575 3.749,576 4.378,577 4.438,578 4.438,579 4.438,580 2.202,581 3.822,582 4.295,583 2.949,584 560.256,585 7.373,586 5588.88,587 1,588 1,590 1,591 166.465,592 0.881,593 4.295,594 0.109,596 0.063,597 0.025,598 0.03,599 0.021,600 0.011,601 0.002,602 0.005,603 0.003,604 0.269,605 0.67,606 1,608 86.192,609 -0.097,610 -0.326,611 0.076,612 -0.067,614 -0.02,615 -0.124,616 0.146,617 -0.027,618 0.12,619 -0.048,620 0.059,621 0.038,622 -0.07,623 0.002,624 -0.028,625 0.104,626 0.02,627 0.05,628 -0.054,629 0.095,630 0.027,631 0.063,632 0.034,633 -0.117,634 0.099,635 0.033,636 0.113,637 -0.228,638 0.084,639 -0.172,640 -0.114,641 -0.221,642 -0.185,643 -0.236,644 -0.318,645 -0.018,646 0.047,647 -0.329,648 -0.205,649 -0.051,650 -0.247,651 0.071,652 -0.161,653 -0.135,654 -0.282,655 -0.031,656 -0.158,657 0.918,658 1.906,659 1,660 12.2,661 1.014,662 1.13,663 2.707,664 7.327,665 0.702,666 3.178,667 3.497,668 3.829,669 4.143,670 4.331,671 4.477,672 4.654,673 4.754,674 4.71,675 4.635,676 4.476,677 0.67,678 287.38,679 3.178,680 4.71,681 5.58,682 6.466,683 7.356,684 8.252,685 9.149,686 10.05,687 10.951,688 11.854,689 15.2,695 1,697 1,699 3,703 2,704 4,705 3,706 1,708 1,709 3,711 15,726 1,731 33,733 15,735 23,737 36,738 13,739 9,746 4,747 5,761 9,762 4,777 1,778 1,781 13,782 5,783 1,784 7,785 1,787 1,790 5,794 0.75,795 1,806 1,811 2,812 2,815 1,839 1,840 3,842 1,848 20,854 4,856 1,859 1,865 1,870 3,874 1,877 9,878 5.967,879 4.361,880 1.969,881 2.767,882 1.398,883 1.047,884 3.127,885 9.722,886 3.45,887 4.069,888 4.736,889 5.392,890 5.844,891 6.328,892 6.812,893 7.23,894 7.389,895 7.599,896 0.8,897 29,898 7.371,900 3.162,901 7.558,902 14.312,904 11.932,905 2.058,906 41.167,907 0.001,910 141.253,911 89.768,912 70.266,914 11,916 31.278,917 58.49,918 152.253,919 70.266,921 13.396,922 26.602,923 83.461,924 24.382,925 15.457,926 148.989,928 141.253,929 128.756,930 11,931 31.278,933 143.581,935 11,937 42.66,938 33.412,939 50.357,940 31.278,941 141.253,942 81.266,943 89.768,946 141.253,947 54.548,948 38.344,949 16.786,950 61.356,951 141.253,952 81.266,953 89.768,955 0.573,956 0.345,957 0.201,958 0.102,959 18,960 6,961 0.056,962 2,963 1,964 1.1,965 3.32,966 161.962,967 0.1,968 20,969 82.439,970 1,974 12.239,975 5.11,976 2.224,977 1.608,978 64.481,979 7.742,980 13.64,981 3.086,983 1.64,984 2.706,986 16.786,987 312.287,988 30.5,999 33.447,1000 37.282,1001 0.352,1002 0.743,1003 0.868,1004 0.88,1005 0.88,1006 0.88,1007 4.67,1008 1,1009 5.541,1010 2.508,1011 4.174,1012 4.754,1013 1.235,1014 6.365,1015 3.998,1016 5.86,1017 0.855,1018 7.094,1019 2.136,1020 3.611,1021 4.477,1022 0.325,1023 7.273,1024 3.386,1025 7.162,1026 0.618,1027 8.755,1028 2.065,1029 5.759,1030 7.003,1031 0.938,1032 10.43,1033 5.43,1034 8.509,1035 0.493,1036 10.484,1037 1.372,1038 6.133,1039 7.712,1040 0.268,1041 12.222,1042 5.751,1043 9.898,1044 -0.421,1045 12.256,1046 1.325,1047 7.658,1048 9.598,1049 0.732,1050 14.86,1051 7.191,1052 11.315,1053 -0.762,1054 14.058,1055 -1.132,1056 8.45,1057 10.742,1058 0.188,1059 16.991,1060 7.926,1061 12.752,1062 -0.947,1063 15.88,1064 -1.958,1065 9.734,1066 12.388,1067 0.57,1068 19.462,1069 9.135,1070 3.192,1071 -1,1072 17.716,1073 -2.347,1074 10.717,1075 13.73,1076 0.125,1077 21.737,1078 10.058,1079 2.74,1080 11.011,1081 19.562,1082 -2.516,1083 11.908,1084 15.284,1085 0.438,1086 24.151,1087 11.18,1088 2.5,1089 8.909,1090 21.417,1091 4.529,1092 12.979,1093 16.715,1094 0.082,1095 26.489,1096 12.188,1097 1.823,1098 7.806,1099 23.278,1100 3.706,1101 14.136,1102 18.236,1103 0.334,1104 28.886,1105 13.28,1106 1.765,1107 4.795,1108 25.144,1109 3.05,1110 15.248,1111 19.707,1112 0.054,1113 31.253,1114 14.328,1115 1.256,1116 4.687,1117 27.015,1118 2.655,1119 16.397,1120 21.217,1121 0.252,1122 33.646,1123 15.411,1124 1.124,1125 2.974,1126 28.89,1127 2.101,1128 17.528,1129 22.707,1130 0.035,1131 36.028,1132 16.479,1133 3527,1134 6012,1135 16.296,1136 23.176,1137 35.041,1138 34.803,1139 34.467,1140 34.704,1141 34.733,1142 45.932,1143 3.32,1144 99.178,1145 31.591,1146 5.603,1147 5.304,1148 6.533,1149 5.231,1150 5.192,1151 7.529,1152 1.72,1153 18.221,1154 4.877,1156 1.524,1157 1.513,1158 1.499,1159 1.509,1160 1.51,1161 1.997,1162 0.144,1163 4.312,1164 1.374,1165 4.096,1166 4.148,1167 4.246,1168 3.972,1169 5.176,1170 3.962,1171 3.806,1172 3.82,1173 4.003,1174 3.787,1175 4.705,1176 3.746,1177 3.727,1178 3.788,1179 3.612,1180 3.495,1181 4.62,1182 3.514,1183 3.222,1184 3.294,1185 3.179,1186 2.978,1187 4.408,1188 3.015,1189 3.111,1190 3.206,1191 2.866,1192 2.941,1193 4.038,1194 2.91,1195 2.895,1196 2.959,1197 2.83,1198 2.642,1199 3.599,1200 2.677,1201 2.548,1202 2.64,1203 2.682,1204 2.376,1205 3.474,1206 2.287,1207 2.425,1208 2.508,1209 2.398,1210 2.282,1211 3.296,1212 2.232,1213 0.2,1214 0.144,1215 0.293,1216 0.179,1217 0.139,1218 4.603,1219 0.197,1220 3.304,1221 0.037,1222 6.731,1223 0.479,1224 4.127,1225 0.13,1226 3.192,1227 4.529,1228 0.86,1229 11.011,1230 2.983,1231 1.847,1232 1.805,1233 1.948,1234 2.045,1235 1.212,1236 2.016,1237 1.626,1238 1.575,1239 1.765,1240 1.859,1241 0.874,1242 1.84,1243 1.457,1244 1.418,1245 1.619,1246 1.642,1247 0.825,1248 1.617,1249 1.335,1250 1.295,1251 1.513,1252 1.563,1253 0.681,1254 1.582,1255 1.281,1256 1.249,1257 1.491,1258 1.376,1259 0.548,1260 1.429,1261 1.153,1262 1.064,1263 1.186,1264 1.273,1265 0.408,1266 1.347,1267 0.717,1268 0.637,1269 1.051,1270 1.082,1271 0.205,1272 1.068,1273 0.512,1274 0.448,1275 0.785,1276 0.771,1278 0.763,1279 3.85,1281 5.165,1282 3.045,1283 6.681,1284 5.209,1285 8.294,1286 7.154,1287 9.963,1295 3.125,1297 5.406,1300 2.214,1305 22.116,1306 58.644,1307 123.71,1308 144.465,1309 146.465,1310 146.465,1311 146.465,1312 19.471,1313 6.955,1314 66.93,1315 95.17,1316 22,1317 12.374,1318 4,1319 3.087,1320 25.937,1321 53,1322 50,1323 0.245,1324 137.432,1325 217.78,1326 327.093,1327 8489,1329 13.364,1330 0.668,1331 0.578,1332 13.717,1333 11.56,1334 9.916,1335 0.431,1336 0.321,1337 6.439,1338 8.938,1339 6.282,1340 5.121,1341 10.37,1342 7.373,1343 8.693,1344 0.272,1345 0.172,1346 9.276,1347 5.495,1348 7.77,1349 0.173,1350 0.093,1351 8.451,1352 4.179,1353 6.849,1354 0.11,1355 0.048,1356 7.483,1357 2.99,1358 5.156,1359 0.069,1360 0.023,1361 5.508,1362 1.725,1363 0.364,1364 67.336,1365 0.248,1366 19.408,1367 0.737,1368 110,1369 331.509,1370 145.346,1371 336.474,1372 471.27,1373 320,1374 132,1375 339.924,1376 165.466,1377 354.558,1378 527.92,1379 335,1380 6.194}
{0 CHEMBL604908,1 1.622,2 13.5,3 3,4 9.002,5 128.149,6 7.567,7 0.474,8 4.233,9 4.357,10 3.82,11 3.696,12 5.307,13 3.706,14 4.791,15 4.969,16 4.158,17 4.072,18 5.876,19 4.057,20 5.012,21 5.233,22 4.169,23 4.199,24 5.99,25 4.148,26 4.997,27 5.244,28 4.126,29 4.14,30 6.019,31 4.085,32 4.947,33 5.177,34 4.169,35 4.105,36 6.064,37 4.082,38 4.874,39 5.068,40 4.153,41 4.152,42 5.926,43 4.125,44 4.976,45 5.172,46 4.133,47 4.288,48 5.937,49 4.207,50 5.167,51 5.411,52 4.047,53 4.351,54 6.036,55 4.198,56 0.071,57 0.965,58 12.436,59 4.913,60 7.185,61 6.677,62 0.615,63 1.507,64 25.244,65 8.316,66 39.828,67 11.242,68 0.618,69 1.766,70 33.431,71 9.909,72 43.308,73 14.672,74 0.504,75 1.753,76 33.219,77 9.286,78 49.377,79 14.527,80 0.696,81 1.65,82 31.792,83 8.225,84 67.038,85 12.727,86 0.478,87 1.65,88 27.318,89 8.205,90 39.192,91 11.771,92 0.543,93 1.78,94 29.947,95 10.785,96 35.715,97 15.248,98 0.459,99 1.888,100 39.191,101 16.042,102 54.738,103 22.592,104 2,105 51,106 0.26,107 0.547,108 0.633,109 0.687,110 0.71,111 0.715,112 3.56,113 0.9,114 -4.31,115 -4.25,116 -4.01,119 39.3,125 8,142 9,143 1,144 2,149 1,150 2,159 1,172 8,174 7,175 2,178 2,179 1,180 4,183 8,186 2,187 4,192 4,195 4,198 3,199 11,204 6,211 4,212 10,217 4,224 8,227 2,229 2,232 4,236 4,237 2,245 8,249 2,250 4,253 5,258 8,263 4,271 4,275 2300,276 23.654,277 23.654,278 23.654,279 23.654,280 23.654,281 21.44,282 32.632,283 14.459,284 24.457,285 18.863,286 18.863,287 18.863,288 18.863,289 18.863,290 15.483,291 50.554,292 6.994,293 20.141,294 4.309,295 2.522,296 1.988,297 1.652,298 1.508,299 1.475,300 4.274,304 1,305 1,306 1016,307 3,311 600.171,318 2.147,319 30.896,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 74.5,331 459,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.074,342 3.246,343 6.024,344 3.718,345 2.759,346 3.601,347 0.86,348 8.666,349 2.625,350 3.954,351 3.013,352 6.016,353 3.595,354 2.684,355 3.471,356 0.86,357 8.629,358 2.527,359 3.795,360 2.811,361 5.567,362 3.591,363 2.631,364 3.056,365 0.8,366 7.631,367 2.432,368 3.726,369 2.552,370 5.323,371 3.363,372 2.397,373 2.972,374 0.8,375 6.923,376 2.31,377 3.395,378 2.446,379 4.732,380 2.972,381 2,382 2.626,383 0.247,384 5.246,385 1.943,386 3.089,387 2.297,388 4.612,389 2.808,390 1.871,391 2.18,393 4.907,394 1.732,395 2.854,396 2.25,397 4.283,398 2.577,399 1.697,400 1.987,402 4.065,403 1.488,404 2.838,405 1.716,406 4.187,407 2.396,408 1.422,409 1.879,411 3.679,412 1.386,413 2.729,414 1.519,415 3.569,416 2.277,417 1.34,418 1.802,420 2.985,421 1.244,422 2.5,423 1.288,424 3.508,425 2,426 1.085,427 1.5,428 2.668,429 1,430 2.5,431 1.273,432 3.472,433 2,434 1,435 1.5,436 2.509,437 1,438 2.231,439 1.256,440 3.414,441 1.965,442 1,443 1.213,445 2.275,446 0.948,447 2.166,448 1.256,449 3.247,450 1.952,451 1,452 1.132,454 2.136,455 0.946,456 2,457 1,458 3.247,459 1.952,460 1,461 1,463 2.136,464 0.946,465 15.8,466 0.465,467 0.602,468 0.018,469 45.75,470 1.346,471 21.5,472 0.632,473 24.25,474 0.713,475 27.251,476 0.801,477 37,478 0.607,479 35.896,480 1.056,481 9.188,482 0.27,483 7.554,484 0.222,485 0.021,487 0.272,493 0.884,494 1.604,495 0.757,496 1.237,497 0.645,498 1.008,499 1.102,500 0.945,501 0.976,502 0.94,503 0.698,504 0.946,505 1.136,506 1.183,507 1.022,508 0.968,509 0.984,510 0.972,511 0.878,512 1.127,513 0.943,514 0.973,515 0.935,516 0.946,517 1.13,518 1.006,519 0.934,520 0.771,521 1.501,522 0.787,523 1.241,524 1.084,525 1.137,526 0.974,527 1.343,528 1.003,529 0.792,530 1.022,531 1.199,532 1.163,533 0.719,534 1.228,535 0.357,536 1.023,537 0.959,538 1.363,539 0.371,540 1.305,541 5.5,542 0.14,543 2.667,544 1.375,545 1.209,546 1.431,547 0.647,548 0.179,549 0.261,550 0.254,551 18600,552 48472,553 2.182,554 44.3,556 25,559 2,564 1.76,565 2.125,566 3.672,567 0.235,573 98.948,574 1.622,575 3.409,576 3.942,577 4.279,578 4.423,579 4.455,580 3.072,581 3.922,582 5.054,583 3.893,584 2184.21,585 8.869,586 34322.1,591 361.775,592 1.012,593 5.053,594 0.145,595 0.005,596 0.052,597 0.027,598 0.025,599 0.028,600 0.013,601 0.004,602 0.006,603 0.008,604 0.313,605 0.17,606 0.63,607 0.299,608 183.771,609 -0.063,610 -0.363,611 0.074,612 -0.16,613 -0.03,614 -0.039,615 0.059,616 0.186,617 -0.034,618 0.038,619 0.084,620 -0.023,621 -0.121,622 -0.145,623 -0.052,624 0.001,625 -0.084,626 -0.015,627 -0.051,628 -0.072,629 0.028,630 -0.044,631 0.006,632 0.005,633 -0.045,634 0.06,635 0.06,636 0.14,637 -0.052,638 0.131,639 -0.246,640 0.073,641 -0.21,642 -0.016,643 -0.191,644 -0.083,645 -0.032,646 0.097,647 -0.307,648 -0.133,649 -0.095,650 -0.243,651 0.24,652 -0.1,653 -0.028,654 -0.272,655 0.183,656 -0.219,657 1.969,658 5.29,659 0.882,660 41.785,661 1.009,662 1.136,663 3.08,664 9.487,665 0.656,666 3.664,667 3.951,668 4.205,669 4.466,670 4.727,671 4.771,672 4.977,673 5.118,674 5.242,675 5.361,676 8.018,677 0.632,678 461.58,679 3.664,680 5.187,681 6.023,682 6.882,683 7.734,684 8.601,685 9.461,686 10.332,687 11.198,688 12.072,689 11.5,695 2,696 2,699 3,702 1,704 9,705 3,709 6,711 18,726 2,731 61,733 19,734 2,735 38,737 65,738 24,739 15,740 3,741 9,746 5,747 5,751 1,761 16,762 8,766 1,771 1,775 1,781 27,782 10,783 2,784 10,790 7,794 1,795 3,812 5,839 2,840 5,848 34,854 8,855 2,856 2,859 2,870 4.9,873 1,874 2,877 16,878 10.75,879 7.5,880 3.654,881 3.166,882 1.393,883 0.997,884 7.267,885 11.217,886 3.892,887 4.413,888 4.925,889 5.482,890 6.033,891 6.235,892 6.677,893 7.05,894 7.358,895 7.715,896 0.889,897 51,898 12.574,900 5.306,901 7.667,902 24.176,904 19.639,905 2.167,906 73.667,909 1,910 294.278,911 131.18,912 92.627,914 47.145,917 131.18,918 341.422,919 92.627,921 62.814,922 85.286,923 97.501,924 17.276,925 8.074,926 294.278,928 294.278,929 223.806,930 47.145,933 296.605,934 25.145,935 22,937 66.612,938 104.51,939 50.357,941 294.278,942 139.771,943 131.18,946 294.278,947 45.893,948 91.535,949 36.022,950 97.501,951 294.278,952 139.771,953 131.18,955 0.568,956 0.324,957 0.18,958 0.102,959 24,960 9,961 0.077,962 5,964 1,965 4.643,966 317.081,968 30,969 135.464,974 22.689,975 10.89,976 5.894,978 139.771,979 16.796,980 14.275,984 4.151,986 36.022,987 565.229,988 48,993 12.29,997 -0.302,999 61.531,1000 69.268,1001 0.274,1002 0.575,1003 0.665,1004 0.721,1005 0.746,1006 0.751,1007 5.115,1008 1.697,1009 5.969,1010 4.907,1011 4.635,1012 5.1,1013 2.368,1014 6.72,1015 4.512,1016 6.267,1017 1.422,1018 7.479,1019 4.065,1020 4.007,1021 4.663,1022 1.404,1023 7.455,1024 3.828,1025 7.534,1026 1.34,1027 9.089,1028 3.679,1029 6.163,1030 7.159,1031 2.66,1032 10.559,1033 5.918,1034 8.833,1035 1.085,1036 10.759,1037 2.985,1038 6.382,1039 7.543,1040 2.382,1041 12.147,1042 6.071,1043 10.165,1044 1,1045 12.469,1046 2.668,1047 7.955,1048 9.503,1049 3.324,1050 14.72,1051 7.585,1052 11.52,1053 1,1054 14.207,1055 2.509,1056 8.59,1057 10.294,1058 3.421,1059 16.668,1060 8.146,1061 12.892,1062 1,1063 15.964,1064 2.275,1065 9.895,1066 11.996,1067 4.179,1068 19.043,1069 9.393,1070 3.07,1071 1,1072 17.736,1073 2.136,1074 10.746,1075 13.019,1076 4.467,1077 21.155,1078 10.167,1079 2.759,1080 9.93,1081 19.517,1082 2.136,1083 11.925,1084 14.581,1085 5.118,1086 23.456,1087 11.287,1088 2.684,1089 8.666,1090 21.307,1091 4.05,1092 12.89,1093 15.743,1094 5.504,1095 25.647,1096 12.174,1097 2.631,1098 8.629,1099 23.104,1100 3.601,1101 14.012,1102 17.226,1103 6.093,1104 27.922,1105 13.235,1106 2.397,1107 7.631,1108 24.906,1109 3.471,1110 15.037,1111 18.474,1112 6.531,1113 30.152,1114 14.182,1115 2,1116 6.923,1117 26.712,1118 3.056,1119 16.138,1120 19.913,1121 7.084,1122 32.421,1123 15.218,1124 1.871,1125 5.246,1126 28.522,1127 2.972,1128 17.196,1129 21.215,1130 7.551,1131 34.674,1132 16.2,1133 17184,1134 27904,1135 26.523,1136 40.017,1137 56.222,1138 57.475,1139 56.235,1140 56.081,1141 56.08,1142 70.139,1143 10.446,1144 153.484,1145 52.664,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 7.824,1156 1.48,1157 1.512,1158 1.48,1159 1.476,1160 1.476,1161 1.846,1162 0.275,1163 4.039,1164 1.386,1165 4.012,1166 4.06,1167 3.972,1168 3.895,1169 7.431,1170 3.904,1171 3.895,1172 3.935,1173 3.833,1174 3.815,1175 5.077,1176 3.812,1177 3.829,1178 3.874,1179 3.759,1180 3.637,1181 4.773,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.698,1188 3.533,1189 3.555,1190 3.609,1191 3.476,1192 3.319,1193 4.616,1194 3.352,1195 3.388,1196 3.433,1197 3.33,1198 3.106,1199 4.59,1200 3.159,1201 3.111,1202 3.206,1203 2.871,1204 2.941,1205 4.05,1206 2.91,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.022,1212 2.91,1213 0.116,1214 0.094,1215 0.168,1216 0.105,1217 0.081,1218 4.394,1219 0.107,1220 3.562,1221 0.044,1222 6.383,1223 0.261,1224 3.994,1225 0.075,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.932,1232 1.902,1233 2.025,1234 2.081,1235 1.208,1236 2.058,1237 1.883,1238 1.852,1239 2.004,1240 2.002,1241 1.187,1242 2.001,1243 1.757,1244 1.699,1245 1.93,1246 1.948,1247 1.1,1248 1.952,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.059,1254 1.926,1255 1.445,1256 1.391,1257 1.536,1258 1.707,1259 0.825,1260 1.667,1261 1.244,1262 1.196,1263 1.513,1264 1.548,1265 0.825,1266 1.503,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.514,1272 1.429,1273 1.153,1274 1.064,1275 1.376,1276 1.376,1277 0.333,1278 1.429,1279 4.344,1281 5.638,1283 7.133,1285 8.712,1287 10.333,1295 5.574,1296 5.658,1297 10.971,1300 4.255,1305 38.562,1306 98.948,1307 207.961,1308 240.491,1309 261.02,1310 269.775,1311 271.775,1312 48.081,1313 8.052,1314 104.74,1315 104.74,1316 30,1317 12.614,1318 4.322,1319 3.459,1320 50.021,1321 160,1322 182,1323 0.147,1324 234.294,1325 406.23,1326 563.439,1327 37484,1329 23.167,1330 0.681,1331 0.553,1332 23.167,1333 18.814,1334 16.742,1335 0.441,1336 0.3,1337 11.166,1338 15.882,1339 11.025,1340 9.033,1341 16.742,1342 11.395,1343 14.645,1344 0.287,1345 0.156,1346 14.645,1347 7.98,1348 12.204,1349 0.185,1350 0.085,1351 12.204,1352 5.632,1353 10.374,1354 0.121,1355 0.044,1356 10.374,1357 3.81,1358 8.673,1359 0.077,1360 0.023,1361 8.673,1362 2.568,1363 0.234,1364 106.222,1365 0.194,1366 31.809,1367 0.392,1368 178,1369 548.098,1370 201.624,1371 517.886,1372 712.52,1373 490,1374 206,1375 523.501,1376 229.518,1377 523.816,1378 770.94,1379 494,1380 8.523}
{0 CHEMBL604988,1 1.592,2 13.27,3 3.136,4 9.837,5 139.691,6 7.392,7 0.524,8 4.335,9 4.457,10 3.906,11 3.843,12 5.383,13 3.834,14 4.918,15 5.102,16 4.273,17 4.261,18 5.921,19 4.232,20 5.183,21 5.405,22 4.358,23 4.427,24 6.144,25 4.359,26 5.27,27 5.522,28 4.326,29 4.438,30 6.213,31 4.352,32 5.232,33 5.478,34 4.353,35 4.433,36 6.159,37 4.362,38 5.222,39 5.446,40 4.36,41 4.44,42 6.242,43 4.379,44 5.211,45 5.432,46 4.281,47 4.451,48 6.136,49 4.361,50 5.26,51 5.507,52 4.215,53 4.464,54 6.103,55 4.341,56 0.042,57 1.117,58 14.288,59 6.082,60 10.187,61 8.079,62 0.41,63 1.845,64 28.839,65 10.011,66 31.248,67 13.672,68 0.489,69 2.301,70 39.362,71 13.638,72 48.702,73 19.304,74 0.673,75 2.436,76 44.946,77 14.551,78 67.163,79 21.076,80 0.496,81 2.329,82 42.375,83 13.425,84 55.023,85 20.008,86 0.77,87 2.42,88 41.475,89 12.49,90 74.231,91 17.889,92 0.528,93 2.311,94 40.38,95 14.019,96 55.887,97 19.779,98 0.627,99 2.252,100 43.635,101 15.592,102 51.232,103 22.525,104 6,105 59,106 0.249,107 0.576,108 0.762,109 0.836,110 0.851,111 0.851,112 3.642,113 0.923,114 -5.61,115 -5.48,116 -5.11,119 41.2,121 2,125 8,127 1,142 8,143 3,144 1,146 1,147 1,149 1,160 1,161 1,172 10,174 4,175 7,180 1,183 11,186 4,187 5,192 2,195 5,198 4,199 12,204 2,207 2,211 1,212 8,217 1,220 2,223 3,224 11,227 2,232 6,236 2,237 6,245 6,249 2,250 8,253 2,258 4,263 9,266 1,271 2,275 2830,276 25.817,277 25.817,278 25.817,279 25.817,280 25.817,281 23.279,282 31.999,283 15.269,284 26.518,285 20.723,286 20.723,287 20.723,288 20.723,289 20.723,290 16.813,291 42.534,292 7.215,293 21.912,294 4.496,295 2.405,296 1.217,297 0.746,298 0.647,299 0.647,300 4.363,306 1094,307 2.828,310 83.125,311 558.228,314 150.954,318 2.047,319 36.696,322 0.5,323 0.67,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.72,330 80.5,331 491,332 4.694,333 3.381,334 6.903,335 4.225,336 3.289,337 4.638,338 0.916,339 11.617,340 3.08,341 4.201,342 3.235,343 6.33,344 3.844,345 2.888,346 3.821,347 0.86,348 9.601,349 2.779,350 4.176,351 3.038,352 6.131,353 3.795,354 2.826,355 3.779,356 0.8,357 9.04,358 2.731,359 3.99,360 2.913,361 6.062,362 3.713,363 2.766,364 3.358,365 0.765,366 8.753,367 2.608,368 3.65,369 2.759,370 5.595,371 3.383,372 2.449,373 3.032,374 0.172,375 7.291,376 2.283,377 3.546,378 2.563,379 5.283,380 3.278,381 2.312,382 2.614,384 6.71,385 2.23,386 3.273,387 2.397,388 5.26,389 3.07,390 2.136,391 2.355,393 6.543,394 1.985,395 2.974,396 2.148,397 4.758,398 2.659,399 1.742,400 2.178,402 4.846,403 1.594,404 2.938,405 1.869,406 4.385,407 2.472,408 1.518,409 2.056,411 4.172,412 1.445,413 2.866,414 1.613,415 4.168,416 2.414,417 1.432,418 1.996,420 3.714,421 1.406,422 2.787,423 1.554,424 4.05,425 2.371,426 1.414,427 1.882,428 3.155,429 1.336,430 2.659,431 1.48,432 3.759,433 2.17,434 1.259,435 1.726,436 2.961,437 1.154,438 2.489,439 1.256,440 3.598,441 2.126,442 1.184,443 1.484,445 2.904,446 1.098,447 2.381,448 1.22,449 3.487,450 1.984,451 1.038,452 1.369,454 2.546,455 0.983,456 2.005,457 1.077,458 3.414,459 1.979,460 1,461 1,463 2.275,464 0.973,465 17.352,466 0.469,467 0.739,468 0.02,469 46.25,470 1.25,471 20.5,472 0.554,473 25.75,474 0.696,475 35.802,476 0.968,477 40.248,478 0.592,479 37.271,480 1.007,481 9.055,482 0.245,483 9.136,484 0.247,485 0.036,487 0.328,491 1,493 0.786,494 1.373,495 0.765,496 1.172,497 0.664,498 1.003,499 1.046,500 1.008,501 0.952,502 0.926,503 0.713,504 0.917,505 0.857,506 1.121,507 0.944,508 1.046,509 0.67,510 1.016,511 0.899,512 0.994,513 0.964,514 0.953,515 0.992,516 0.96,517 0.819,518 1.04,519 0.896,520 0.929,521 0.745,522 0.91,523 1.177,524 1.016,525 1.188,526 0.945,527 1.112,528 1.022,529 0.953,530 1.106,531 1.16,532 1.154,533 0.922,534 1.177,535 0.614,536 0.819,537 1.026,538 1.058,539 0.534,540 1.103,541 6,542 0.184,543 4,544 1.91,545 1.987,546 1.393,547 0.914,548 0.563,549 0.365,550 0.306,551 22029,552 55865,553 2.197,554 45.6,556 25,558 1,559 1,562 4,564 1.784,565 2.114,566 3.642,567 -0.365,573 108.252,574 1.592,575 3.683,576 4.87,577 5.341,578 5.44,579 5.44,580 3.074,581 4.865,582 5.175,583 3.856,584 2568.02,585 9.131,586 41298.2,591 413.947,592 1.181,593 5.165,594 0.143,595 0.005,596 0.068,597 0.031,598 0.034,599 0.022,600 0.015,601 0.01,602 0.007,603 0.007,604 0.341,605 0.17,606 0.63,607 0.509,608 202.596,609 -0.037,610 -0.255,611 0.071,612 -0.096,613 -0.027,614 -0.014,615 -0.089,616 0.045,617 -0.029,618 0.055,619 -0.024,620 0.026,622 -0.105,623 0.001,624 -0.059,625 0.056,626 -0.039,627 0.003,628 0.032,629 0.016,630 0.011,631 -0.044,632 0.013,633 -0.039,634 -0.075,635 0.061,636 0.025,637 -0.044,638 0.059,639 -0.126,640 0.109,641 -0.215,642 -0.013,643 -0.121,644 -0.102,645 -0.086,646 -0.055,647 -0.22,648 -0.161,649 -0.118,650 -0.201,651 0.065,652 0.08,653 -0.089,654 -0.064,655 0.012,656 -0.097,657 1.81,658 6.157,659 0.892,660 46.282,661 1.004,662 1.134,663 4.379,664 19.18,665 0.659,666 3.761,667 4.094,668 4.419,669 4.718,670 5.011,671 5.147,672 5.389,673 5.606,674 5.784,675 5.935,676 7.834,677 0.629,678 502.65,679 3.761,680 5.313,681 6.184,682 7.072,683 7.962,684 8.859,685 9.758,686 10.662,687 11.567,688 12.476,689 8.8,692 1,695 1,697 1,699 3,703 2,704 9,705 3,709 6,710 1,711 22,726 1,730 1,731 68,733 22,734 2,735 42,737 73,738 28,739 17,740 4,741 8,746 6,747 7,752 1,755 3,758 3,761 17,762 11,779 1,781 31,782 8,783 1,784 9,787 1,790 6,794 0.833,795 2,796 1,806 1,811 1,812 5,815 1,836 1,838 1,839 1,840 5,846 1,848 37,853 1,854 10,856 1,858 1,859 2,869 1,870 2.9,871 1,874 1,877 17.5,878 12.043,879 8.111,880 4.241,881 3.844,882 1.435,883 0.998,884 7.054,885 12.682,886 3.989,887 4.588,888 5.212,889 5.827,890 6.397,891 6.77,892 7.271,893 7.739,894 8.104,895 8.491,896 0.889,897 62,898 13.769,900 5.988,901 7.667,902 26.741,904 22.751,905 2.167,906 80.167,910 353.133,911 136.404,912 58.504,914 53.683,915 14.96,917 136.404,918 406.816,919 73.464,921 24.782,922 118.493,923 83.461,924 31.298,925 17.288,926 341.362,928 353.133,929 194.908,930 68.643,933 323.337,934 47.084,935 53.683,937 42.284,938 99.94,939 50.357,941 368.093,942 112.188,943 136.404,946 353.133,947 51.975,948 92.576,950 119,951 353.133,952 127.148,953 136.404,955 0.578,956 0.347,957 0.192,958 0.109,959 30,960 12,961 0.082,962 6,963 1,964 1.061,965 4.738,966 380.215,967 0.061,968 33,969 182.75,974 24.294,975 10.744,976 5.063,977 1.631,978 125.249,979 16.641,980 14.739,984 3.749,985 2.195,986 42.683,987 616.685,988 53,999 68.265,1000 77.146,1001 0.262,1002 0.605,1003 0.8,1004 0.877,1005 0.894,1006 0.894,1007 5.239,1008 1.742,1009 6.159,1010 6.543,1011 4.779,1012 5.276,1013 1.81,1014 6.986,1015 4.671,1016 6.425,1017 1.518,1018 7.721,1019 4.846,1020 4.29,1021 5.037,1022 0.57,1023 7.901,1024 4.122,1025 7.728,1026 1.432,1027 9.384,1028 4.172,1029 6.382,1030 7.477,1031 1.434,1032 11.036,1033 6.172,1034 9.069,1035 1.414,1036 11.11,1037 3.714,1038 6.758,1039 8.142,1040 0.581,1041 12.811,1042 6.481,1043 10.448,1044 1.259,1045 12.876,1046 3.155,1047 8.276,1048 10.03,1049 1.158,1050 15.455,1051 7.96,1052 11.853,1053 1.184,1054 14.67,1055 2.961,1056 9.054,1057 11.126,1058 0.515,1059 17.589,1060 8.668,1061 13.279,1062 1.038,1063 16.485,1064 2.904,1065 10.34,1066 12.788,1067 0.936,1068 20.076,1069 9.91,1070 3.289,1071 1,1072 18.315,1073 2.546,1074 11.313,1075 14.099,1076 0.441,1077 22.371,1078 10.811,1079 2.888,1080 11.617,1081 20.157,1082 2.275,1083 12.507,1084 15.669,1085 0.756,1086 24.811,1087 11.954,1088 2.826,1089 9.601,1090 22.009,1091 4.638,1092 13.574,1093 17.086,1094 0.373,1095 27.181,1096 12.951,1097 2.766,1098 9.04,1099 23.87,1100 3.821,1101 14.736,1102 18.621,1103 0.609,1104 29.612,1105 14.056,1106 2.449,1107 8.753,1108 25.737,1109 3.779,1110 15.851,1111 20.092,1112 0.314,1113 32.018,1114 15.1,1115 2.312,1116 7.291,1117 27.611,1118 3.358,1119 17.007,1120 21.616,1121 0.49,1122 34.452,1123 16.193,1124 2.136,1125 6.71,1126 29.491,1127 3.032,1128 18.146,1129 23.115,1130 0.264,1131 36.877,1132 17.262,1133 20224,1134 32336,1135 29.126,1136 44.779,1137 63.315,1138 64.199,1139 64.44,1140 63.215,1141 63.176,1142 79.811,1143 7.027,1144 182.569,1145 59.669,1146 5.694,1147 5.381,1148 6.705,1149 5.329,1150 5.289,1151 7.638,1152 1.776,1153 19.166,1154 5.08,1155 12.157,1156 1.508,1157 1.529,1158 1.534,1159 1.505,1160 1.504,1161 1.9,1162 0.167,1163 4.347,1164 1.421,1165 4.142,1166 4.194,1167 4.117,1168 3.984,1169 8.201,1170 4.008,1171 3.939,1172 3.978,1173 3.881,1174 3.856,1175 6.457,1176 3.856,1177 3.897,1178 3.928,1179 3.837,1180 3.811,1181 5.139,1182 3.817,1183 3.784,1184 3.84,1185 3.678,1186 3.62,1187 4.713,1188 3.625,1189 3.691,1190 3.75,1191 3.576,1192 3.481,1193 4.654,1194 3.497,1195 3.337,1196 3.398,1197 3.262,1198 3.136,1199 4.618,1200 3.156,1201 3.217,1202 3.276,1203 3.079,1204 3.04,1205 4.431,1206 3.038,1207 3.113,1208 3.206,1209 2.982,1210 2.941,1211 4.264,1212 2.931,1213 0.112,1214 0.08,1215 0.164,1216 0.101,1217 0.078,1218 4.694,1219 0.11,1220 3.381,1221 0.022,1222 6.903,1223 0.277,1224 4.225,1225 0.073,1226 3.289,1227 4.638,1228 0.916,1229 11.617,1230 3.08,1231 1.962,1232 1.931,1233 2.078,1234 2.108,1235 1.432,1236 2.096,1237 1.921,1238 1.888,1239 2.039,1240 2.047,1241 1.216,1242 2.045,1243 1.833,1244 1.788,1245 1.977,1246 1.96,1247 1.154,1248 1.966,1249 1.761,1250 1.708,1251 1.93,1252 1.952,1253 1.131,1254 1.953,1255 1.569,1256 1.519,1257 1.689,1258 1.781,1259 0.848,1260 1.763,1261 1.349,1262 1.274,1263 1.53,1264 1.613,1265 0.825,1266 1.589,1267 1.194,1268 1.147,1269 1.513,1270 1.451,1271 0.825,1272 1.45,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.712,1278 1.429,1279 4.443,1281 5.771,1282 2.398,1283 7.306,1284 4.727,1285 8.93,1286 6.862,1287 10.601,1291 14.157,1294 9.648,1295 7.043,1297 5.572,1299 0.255,1300 4.537,1305 42.79,1306 108.252,1307 250.425,1308 331.193,1309 363.193,1310 369.947,1311 369.947,1312 61.405,1313 8.838,1314 79.54,1315 79.54,1316 35,1317 12.993,1318 4.524,1319 3.585,1320 50.889,1321 168,1322 193,1323 0.142,1324 255.678,1325 438.45,1326 615.615,1327 93630,1328 1.5,1329 25.192,1330 0.681,1331 0.561,1332 24.321,1333 20.761,1334 18.191,1335 0.433,1336 0.308,1337 12.709,1338 17.382,1339 12.513,1340 10.225,1341 17.78,1342 12.926,1343 16.102,1344 0.273,1345 0.165,1346 15.584,1347 9.752,1348 14.378,1349 0.175,1350 0.09,1351 13.844,1352 7.384,1353 12.211,1354 0.11,1355 0.048,1356 11.934,1357 5.326,1358 10.446,1359 0.07,1360 0.026,1361 10.199,1362 3.868,1363 0.223,1364 114.715,1365 0.185,1366 33.566,1367 0.393,1368 202,1369 597.867,1370 223.443,1371 547.777,1372 753.76,1373 518,1374 242,1375 553.034,1376 265.854,1377 553.448,1378 822.89,1379 522,1380 7.377}
{0 CHEMBL605121,1 1.625,2 15.757,3 2.717,4 7.383,5 139.72,6 7.436,7 0.439,8 4.335,9 4.458,10 3.898,11 3.785,12 5.413,13 3.793,14 4.896,15 5.075,16 4.233,17 4.169,18 5.973,19 4.148,20 5.125,21 5.346,22 4.26,23 4.313,24 6.105,25 4.256,26 5.126,27 5.372,28 4.228,29 4.274,30 6.15,31 4.209,32 5.096,33 5.333,34 4.255,35 4.223,36 6.205,37 4.187,38 4.992,39 5.195,40 4.218,41 4.23,42 6.032,43 4.197,44 5.057,45 5.258,46 4.216,47 4.348,48 6.03,49 4.27,50 5.247,51 5.487,52 4.141,53 4.41,54 6.164,55 4.27,56 0.1,57 1.05,58 14.394,59 5.595,60 10.751,61 7.661,62 0.677,63 1.638,64 28.755,65 9.479,66 46.528,67 12.972,68 0.693,69 1.942,70 37.907,71 11.357,72 51.668,73 17.001,74 0.543,75 1.954,76 38.014,77 11.022,78 56.223,79 17.293,80 0.785,81 1.837,82 37.743,83 9.939,84 80.14,85 15.577,86 0.577,87 1.791,88 32.016,89 9.227,90 46.585,91 13.684,92 0.608,93 1.902,94 33.345,95 11.648,96 38.862,97 16.893,98 0.573,99 2.011,100 42.951,101 16.642,102 68.473,103 23.479,104 7,105 55,106 0.256,107 0.562,108 0.668,109 0.722,110 0.735,111 0.74,112 3.642,113 0.913,114 -4,115 -3.95,116 -3.74,119 38.2,121 1,125 9,142 8,143 2,144 2,149 1,150 2,159 1,172 9,174 7,175 2,178 2,179 1,180 5,183 10,186 2,187 4,192 5,195 6,198 3,199 11,204 8,211 4,212 10,217 7,224 8,227 2,229 2,232 4,236 4,237 3,241 1,242 1,245 8,249 2,250 4,253 5,258 8,263 4,266 1,267 1,271 6,275 2882,276 25.679,277 25.679,278 25.679,279 25.679,280 25.679,281 23.493,282 35.864,283 15.649,284 26.52,285 20.295,286 20.295,287 20.295,288 20.295,289 20.295,290 16.871,291 52.024,292 7.463,293 21.633,294 4.462,295 2.512,296 1.841,297 1.5,298 1.412,299 1.382,300 4.353,306 1279,307 3.391,311 673.407,318 2.492,319 37.336,322 0.5,323 0.67,324 0.67,325 0.8,326 1,327 0.67,328 1,329 0.76,330 81.5,331 583,332 4.394,333 3.562,334 6.383,335 3.994,336 3.07,337 4.05,338 1.656,339 9.93,340 2.86,341 4.091,342 3.246,343 6.024,344 3.729,345 2.766,346 3.654,347 0.86,348 8.666,349 2.662,350 4.035,351 3.013,352 6.016,353 3.66,354 2.686,355 3.591,356 0.86,357 8.629,358 2.596,359 3.795,360 2.815,361 5.599,362 3.591,363 2.684,364 3.083,365 0.8,366 7.717,367 2.432,368 3.781,369 2.783,370 5.415,371 3.461,372 2.49,373 2.972,374 0.8,375 7.179,376 2.404,377 3.555,378 2.471,379 5.177,380 3.214,381 2.241,382 2.848,383 0.247,384 6.511,385 2.173,386 3.274,387 2.354,388 4.72,389 2.893,390 1.952,391 2.472,393 5.199,394 1.852,395 3.082,396 2.292,397 4.587,398 2.777,399 1.807,400 2.166,402 4.834,403 1.719,404 2.838,405 2.25,406 4.283,407 2.577,408 1.697,409 1.879,411 4.065,412 1.488,413 2.732,414 1.716,415 4.185,416 2.287,417 1.368,418 1.808,420 3.669,421 1.251,422 2.5,423 1.519,424 3.508,425 2.036,426 1.105,427 1.5,428 2.669,429 1.02,430 2.5,431 1.288,432 3.472,433 2,434 1.082,435 1.5,436 2.509,437 1,438 2.231,439 1.274,440 3.414,441 2,442 1,443 1.213,445 2.275,446 1,447 2.19,448 1.256,449 3.414,450 1.964,451 1,452 1.172,454 2.275,455 0.948,456 2.166,457 1.256,458 3.247,459 1.952,460 1,461 1.132,463 2.136,464 0.946,465 17.133,466 0.463,467 0.67,468 0.018,469 47.5,470 1.284,471 21.5,472 0.581,473 26,474 0.703,475 31.925,476 0.863,477 41.067,478 0.604,479 39.059,480 1.056,481 9.509,482 0.257,483 8.666,484 0.234,485 0.039,487 0.28,493 0.915,494 1.592,495 0.79,496 1.24,497 0.753,498 1.024,499 1.076,500 0.958,501 0.981,502 0.95,503 0.756,504 0.957,505 1.062,506 1.172,507 1.008,508 0.973,509 0.909,510 0.978,511 0.784,512 1.163,513 0.937,514 1.04,515 0.777,516 0.998,517 1.053,518 1.04,519 0.921,520 0.832,521 1.29,522 0.83,523 1.202,524 1.082,525 1.121,526 0.954,527 1.224,528 0.986,529 0.7,530 1.055,531 1.131,532 1.154,533 0.571,534 1.198,535 0.515,536 1.043,537 0.987,538 1.326,539 0.638,540 1.277,541 6.5,542 0.149,543 3.111,544 1.438,545 1.44,546 1.576,547 0.768,548 0.234,549 0.335,550 0.294,551 23911,552 63349,553 2.15,554 45.6,556 26,559 3,561 2,564 1.779,565 2.075,566 3.862,567 0.836,573 110.504,574 1.625,575 3.576,576 4.246,577 4.587,578 4.676,579 4.705,580 3.365,581 4.345,582 5.175,583 4.09,584 2724.17,585 9.099,586 46439.3,591 413.947,592 1.12,593 5.168,594 0.159,595 0.005,596 0.057,597 0.026,598 0.027,599 0.029,600 0.014,601 0.004,602 0.007,603 0.008,604 0.335,605 0.33,606 0.63,607 0.65,608 207.082,609 -0.084,610 -0.324,611 0.059,612 -0.124,613 -0.064,614 -0.023,615 0.022,616 0.186,617 -0.035,618 0.054,619 0.027,620 -0.009,621 -0.114,622 -0.118,623 -0.046,624 0.017,625 -0.083,626 -0.004,627 -0.029,628 -0.096,629 0.018,630 -0.082,631 0.019,632 -0.026,633 -0.035,634 0.009,635 0.072,636 0.098,637 -0.039,638 0.11,639 -0.232,640 0.072,641 -0.176,642 0.01,643 -0.187,644 -0.051,645 0.02,646 0.089,647 -0.233,648 -0.115,649 -0.027,650 -0.2,651 0.161,652 -0.087,653 -0.056,654 -0.248,655 0.086,656 -0.21,657 2.007,658 5.46,659 0.811,660 49.727,661 1.009,662 1.137,663 2.769,664 7.665,665 0.647,666 3.738,667 4.025,668 4.277,669 4.533,670 4.796,671 4.852,672 5.056,673 5.176,674 5.293,675 5.407,676 8.994,677 0.623,678 505.64,679 3.738,680 5.263,681 6.098,682 6.957,683 7.809,684 8.675,685 9.536,686 10.406,687 11.271,688 12.145,689 10.3,695 2,696 2,699 3,702 1,704 8,705 3,709 7,711 18,726 2,731 68,733 19,734 2,735 41,737 72,738 26,739 15,740 4,741 8,746 5,747 5,751 1,752 1,758 1,761 16,762 10,766 1,771 1,775 1,781 31,782 11,783 3,784 11,790 7,794 1,795 4,796 1,812 5,838 1,839 2,840 5,848 37,853 1,854 10,855 2,856 2,859 2,870 5.9,871 1,873 1,874 2,877 17.833,878 11.867,879 8.25,880 4.074,881 3.267,882 1.395,883 0.97,884 8.558,885 11.542,886 3.951,887 4.472,888 4.985,889 5.54,890 6.098,891 6.321,892 6.749,893 7.091,894 7.387,895 7.74,896 1,897 56,898 13.699,900 5.775,901 7.725,902 26.285,904 21.367,905 2.225,906 82.333,910 329.591,911 127.423,912 92.627,914 89.828,917 127.423,918 419.419,919 92.627,921 65.348,922 118.493,923 97.501,924 20.461,925 8.074,926 329.591,928 329.591,929 220.05,930 89.828,933 308.377,934 48.687,935 64.683,937 69.147,938 98.219,939 50.357,941 329.591,942 182.455,943 127.423,946 329.591,947 51.613,948 82.059,949 36.022,950 140.185,951 329.591,952 182.455,953 127.423,955 0.567,956 0.324,957 0.18,958 0.102,959 25,960 10,961 0.097,962 7,964 1,965 4.891,966 350.56,968 30,969 160.75,974 25.517,975 12.409,976 6.8,978 182.455,979 14.815,980 14.287,984 5.022,986 78.705,987 639.469,988 51,993 12.46,997 -0.341,999 68.625,1000 77.308,1001 0.267,1002 0.587,1003 0.697,1004 0.754,1005 0.768,1006 0.773,1007 5.179,1008 1.807,1009 6.047,1010 5.199,1011 4.71,1012 5.159,1013 2.368,1014 6.801,1015 4.592,1016 6.333,1017 1.697,1018 7.562,1019 4.834,1020 4.111,1021 4.783,1022 1.404,1023 7.545,1024 3.951,1025 7.605,1026 1.368,1027 9.173,1028 4.065,1029 6.244,1030 7.228,1031 2.66,1032 10.631,1033 6.016,1034 8.908,1035 1.105,1036 10.842,1037 3.669,1038 6.479,1039 7.663,1040 2.382,1041 12.209,1042 6.201,1043 10.245,1044 1.082,1045 12.55,1046 2.669,1047 8.035,1048 9.581,1049 3.324,1050 14.772,1051 7.695,1052 11.602,1053 1,1054 14.283,1055 2.509,1056 8.675,1057 10.408,1058 3.421,1059 16.709,1060 8.274,1061 12.976,1062 1,1063 16.035,1064 2.275,1065 9.969,1066 12.081,1067 4.179,1068 19.077,1069 9.51,1070 3.07,1071 1,1072 17.801,1073 2.275,1074 10.82,1075 13.126,1076 4.467,1077 21.182,1078 10.293,1079 2.766,1080 9.93,1081 19.577,1082 2.136,1083 11.991,1084 14.668,1085 5.118,1086 23.478,1087 11.406,1088 2.686,1089 8.666,1090 21.362,1091 4.05,1092 12.954,1093 15.843,1094 5.504,1095 25.664,1096 12.297,1097 2.684,1098 8.629,1099 23.153,1100 3.654,1101 14.071,1102 17.313,1103 6.093,1104 27.935,1105 13.353,1106 2.49,1107 7.717,1108 24.95,1109 3.591,1110 15.093,1111 18.568,1112 6.531,1113 30.163,1114 14.302,1115 2.241,1116 7.179,1117 26.751,1118 3.083,1119 16.189,1120 19.997,1121 7.084,1122 32.43,1123 15.334,1124 1.952,1125 6.511,1126 28.557,1127 2.972,1128 17.243,1129 21.302,1130 7.551,1131 34.68,1132 16.315,1133 22337,1134 36507,1135 28.315,1136 43.995,1137 60.445,1138 62.021,1139 61.064,1140 60.259,1141 60.263,1142 74.503,1143 10.446,1144 165.488,1145 56.663,1146 5.394,1147 5.562,1148 6.185,1149 5.097,1150 5.07,1151 7.05,1152 2.912,1153 16.41,1154 4.86,1155 12.309,1156 1.474,1157 1.513,1158 1.489,1159 1.47,1160 1.47,1161 1.817,1162 0.255,1163 4.036,1164 1.382,1165 4.018,1166 4.064,1167 3.976,1168 3.905,1169 7.431,1170 3.912,1171 3.927,1172 3.963,1173 3.868,1174 3.85,1175 6.456,1176 3.849,1177 3.832,1178 3.879,1179 3.764,1180 3.637,1181 5.077,1182 3.666,1183 3.744,1184 3.803,1185 3.625,1186 3.516,1187 4.748,1188 3.533,1189 3.564,1190 3.617,1191 3.484,1192 3.327,1193 4.695,1194 3.359,1195 3.481,1196 3.535,1197 3.384,1198 3.272,1199 4.616,1200 3.284,1201 3.319,1202 3.365,1203 3.204,1204 3.046,1205 4.589,1206 3.089,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.051,1212 2.91,1213 0.107,1214 0.087,1215 0.156,1216 0.097,1217 0.075,1218 4.394,1219 0.099,1220 3.562,1221 0.04,1222 6.383,1223 0.242,1224 3.994,1225 0.07,1226 3.07,1227 4.05,1228 1.656,1229 9.93,1230 2.86,1231 1.937,1232 1.907,1233 2.046,1234 2.081,1235 1.213,1236 2.059,1237 1.915,1238 1.886,1239 2.016,1240 2.025,1241 1.208,1242 2.027,1243 1.757,1244 1.699,1245 1.93,1246 1.957,1247 1.187,1248 1.956,1249 1.679,1250 1.619,1251 1.903,1252 1.933,1253 1.099,1254 1.926,1255 1.46,1256 1.406,1257 1.681,1258 1.725,1259 0.854,1260 1.697,1261 1.417,1262 1.361,1263 1.533,1264 1.659,1265 0.825,1266 1.645,1267 1.193,1268 1.146,1269 1.513,1270 1.5,1271 0.825,1272 1.463,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.513,1278 1.429,1279 4.419,1281 5.714,1283 7.207,1285 8.785,1287 10.406,1294 9.033,1295 6.168,1296 5.664,1297 10.983,1300 4.241,1305 42.331,1306 110.504,1307 243.144,1308 288.728,1309 311.947,1310 317.947,1311 319.947,1312 60.448,1313 8.276,1314 124.97,1315 124.97,1316 30,1317 12.687,1318 4.322,1319 3.459,1320 56.969,1321 198,1322 249,1323 0.136,1324 257.475,1325 449.62,1326 620,1327 51084,1329 25.451,1330 0.688,1331 0.557,1332 25.451,1333 20.598,1334 18.174,1335 0.443,1336 0.304,1337 12.225,1338 17.225,1339 12.066,1340 9.872,1341 18.174,1342 12.475,1343 15.816,1344 0.288,1345 0.16,1346 15.816,1347 8.785,1348 13.142,1349 0.185,1350 0.088,1351 13.142,1352 6.213,1353 11.115,1354 0.121,1355 0.045,1356 11.115,1357 4.172,1358 9.281,1359 0.077,1360 0.023,1361 9.281,1362 2.813,1363 0.22,1364 115.521,1365 0.188,1366 34.319,1367 0.356,1368 192,1369 596.248,1370 217.063,1371 560.632,1372 765.15,1373 530,1374 222,1375 553.016,1376 246.514,1377 553.625,1378 814.82,1379 522,1380 8.824}
{0 CHEMBL605529,1 1.611,2 13.333,3 3.308,4 10.94,5 141.754,6 7.358,7 0.39,8 4.347,9 4.477,10 3.951,11 3.862,12 5.319,13 3.828,14 4.952,15 5.149,16 4.361,17 4.304,18 5.898,19 4.245,20 5.207,21 5.424,22 4.386,23 4.455,24 6.089,25 4.35,26 5.254,27 5.521,28 4.305,29 4.444,30 6.084,31 4.3,32 5.137,33 5.383,34 4.357,35 4.427,36 6.012,37 4.296,38 5.04,39 5.217,40 4.405,41 4.455,42 5.98,43 4.337,44 5.115,45 5.328,46 4.311,47 4.436,48 5.973,49 4.311,50 5.134,51 5.369,52 4.191,53 4.361,54 6.025,55 4.238,56 0.024,57 1.113,58 15.859,59 6.248,60 8.801,61 8.536,62 0.461,63 1.842,64 32.883,65 10.683,66 34.038,67 14.808,68 0.557,69 2.219,70 46.901,71 14.123,72 44.323,73 20.104,74 0.427,75 2.207,76 47.664,77 15.737,78 51.662,79 22.482,80 0.468,81 2.073,82 49.098,83 15.621,84 46.661,85 20.425,86 0.379,87 2.064,88 41.801,89 14.425,90 35.979,91 18.294,92 0.268,93 2.083,94 42.962,95 15.033,96 31.006,97 20.18,98 0.526,99 2.033,100 42.871,101 13.947,102 53.493,103 19.495,104 13,105 59,106 0.253,107 0.565,108 0.731,109 0.796,110 0.814,111 0.814,112 3.616,113 0.993,114 -3.71,115 -3.68,116 -3.5,119 37.7,121 2,124 2,125 7,127 2,142 5,143 1,144 1,146 1,147 1,149 1,152 2,159 1,172 5,174 2,175 5,178 2,179 1,180 2,183 5,186 2,187 11,192 2,195 2,198 1,199 9,204 3,207 1,211 2,212 6,217 2,220 3,223 2,224 6,227 2,229 1,232 6,236 1,237 5,245 6,249 3,250 4,253 3,255 1,258 4,262 3,263 6,268 1,271 4,275 2622,276 24.693,277 24.693,278 24.693,279 24.693,280 24.693,281 22.8,282 33.827,283 14.352,284 25.526,285 20.257,286 20.257,287 20.257,288 20.257,289 20.257,290 17.175,291 48.382,292 6.903,293 21.629,294 4.498,295 2.506,296 1.451,297 1.036,298 0.92,299 0.92,300 4.334,305 1,306 1069,307 3.464,310 164.033,311 424.418,312 109.671,314 149.589,318 2.037,319 27.094,322 0.75,323 0.5,324 0.83,325 0.7,326 0.5,327 0.83,328 1,329 0.73,330 77.5,331 480,332 4.64,333 3.54,334 6.761,335 4.163,336 3.237,337 4.578,338 1.656,339 11.149,340 2.996,341 4.17,342 3.392,343 6.116,344 3.81,345 2.869,346 3.791,347 0.916,348 8.995,349 2.726,350 3.958,351 3.148,352 5.966,353 3.746,354 2.795,355 3.287,356 0.86,357 8.686,358 2.623,359 3.841,360 2.997,361 5.6,362 3.569,363 2.639,364 3.128,365 0.8,366 7.688,367 2.449,368 3.688,369 2.786,370 5.467,371 3.47,372 2.515,373 2.807,374 0.8,375 7.313,376 2.39,377 3.544,378 2.687,379 5.453,380 3.306,381 2.382,382 2.675,383 0.247,384 7.143,385 2.194,386 3.452,387 2.473,388 5.059,389 3.061,390 2.132,391 2.64,392 0.172,393 6.062,394 2.005,395 3.28,396 2.394,397 4.879,398 3.011,399 2.043,400 2.442,402 5.638,403 1.935,404 2.982,405 2.093,406 4.788,407 2.839,408 1.879,409 2.081,411 5.361,412 1.794,413 2.879,414 2.005,415 4.756,416 2.675,417 1.762,418 1.92,420 5.192,421 1.595,422 2.836,423 1.567,424 4.594,425 2.373,426 1.459,427 1.879,428 4.483,429 1.322,430 2.696,431 1.46,432 4.369,433 2.318,434 1.377,435 1.732,436 4.05,437 1.287,438 2.5,439 1.146,440 3.629,441 2,442 1,443 1.5,445 2.275,446 1,447 2,448 1.099,449 3.414,450 1.967,451 1,452 1,454 2.275,455 0.965,456 2,457 1,458 3.414,459 1.652,460 0.724,461 0.835,463 1.86,464 0.663,465 17.3,466 0.481,467 0.896,468 0.025,469 42,470 1.167,471 16.5,472 0.458,473 25.5,474 0.708,475 37.827,476 1.051,477 39.7,478 0.575,479 32.327,480 0.898,481 7.866,482 0.219,483 9.668,484 0.269,485 0.077,487 0.358,493 0.871,494 1.54,495 0.777,496 1.115,497 0.623,498 1.016,499 1.114,500 0.956,501 0.879,502 0.812,503 0.585,504 0.841,505 1.197,506 1.192,507 1.118,508 1.13,509 0.921,510 1.075,511 0.817,512 0.972,513 0.837,514 0.87,515 0.878,516 0.909,517 0.84,518 0.891,519 1.207,520 1.021,521 0.845,522 0.804,523 0.894,524 1.159,525 1.441,526 1.404,527 0.951,528 1.216,529 0.733,530 1.264,531 1.208,532 1.303,533 0.563,534 1.151,535 0.825,536 1.046,537 1.164,538 1.152,539 0.614,540 1.121,541 8.5,542 0.296,543 3.111,544 2.104,545 1.675,546 1.331,547 0.816,548 0.614,549 0.434,550 0.31,551 20465,552 47237,553 2.185,554 47.8,556 27,559 2,561 4,564 1.779,565 2.077,566 3.647,567 0.204,573 111.16,574 1.611,575 3.602,576 4.657,577 5.072,578 5.188,579 5.188,580 3.198,581 4.614,582 5.131,583 3.842,584 2420.66,585 9.055,586 38275.8,591 421.488,592 1.301,593 5.116,594 0.207,595 0.007,596 0.053,597 0.037,598 0.032,599 0.023,600 0.014,601 0.011,602 0.009,603 0.007,604 0.4,605 0.33,606 0.75,607 0.873,608 195.559,609 -0.03,610 -0.292,611 0.091,612 -0.064,613 -0.01,614 -0.007,615 0.013,616 0.198,617 0.081,618 0.166,619 0.128,620 0.111,621 -0.097,622 -0.134,623 -0.08,624 -0.093,625 -0.031,626 -0.091,627 -0.018,628 0.002,629 0.122,630 0.106,631 0.027,632 0.088,633 0.004,634 0.167,635 0.084,636 0.186,637 0.036,638 0.232,639 -0.046,640 0.038,641 -0.186,642 -0.147,643 -0.143,644 -0.173,645 0.003,646 -0.175,647 -0.105,648 -0.16,649 -0.02,650 -0.113,651 0.055,652 0.014,653 -0.158,654 -0.136,655 0.078,656 -0.133,657 1.907,658 4.654,659 0.806,660 46.435,661 0.999,662 1.134,663 2.48,664 6.153,665 0.659,666 3.738,667 4.094,668 4.382,669 4.7,670 4.984,671 5.159,672 5.398,673 5.613,674 5.811,675 6.016,676 7.714,677 0.618,678 507.73,679 3.738,680 5.303,681 6.168,682 7.062,683 7.945,684 8.846,685 9.739,686 10.646,687 11.547,688 12.457,689 10.1,692 2,695 1,696 2,699 2,703 2,704 5,705 2,708 1,709 5,711 16,726 1,731 69,733 17,734 1,735 41,737 74,738 26,739 12,740 2,741 4,746 6,747 8,751 1,755 4,758 4,761 13,762 13,766 1,771 1,775 1,781 33,782 9,783 2,784 10,785 1,790 7,794 0.667,795 2,801 1,806 1,811 2,812 4,813 1,815 1,836 2,839 1,840 4,842 1,844 2,848 36,854 9,855 2,856 1,858 2,859 3,865 1,870 2.9,873 1,874 1,877 17.333,878 12.833,879 7.694,880 4.275,881 3.026,882 1.346,883 1.015,884 6.928,885 11.765,886 3.932,887 4.508,888 5.071,889 5.694,890 6.269,891 6.711,892 7.247,893 7.743,894 8.113,895 8.546,896 1,897 57,898 13.381,900 5.785,901 7.523,902 26.419,904 22.705,905 2.023,906 72.833,910 364.904,911 134.383,912 78.966,914 36.145,916 31.278,917 103.105,918 401.049,919 78.966,920 16.793,921 55.83,922 47.381,923 69.716,924 19.787,925 8.708,926 396.182,928 364.904,929 182.071,930 36.145,931 31.278,933 320.148,934 72.229,935 11,937 64.223,938 81.949,939 33.571,940 31.278,941 364.904,942 115.11,943 134.383,946 364.904,947 70.209,948 73.547,949 36.022,950 69.716,951 364.904,952 115.11,953 134.383,955 0.588,956 0.337,957 0.18,958 0.102,959 31,960 13,961 0.068,962 5,963 3,964 1.172,965 4.698,966 365.499,967 0.207,968 28,969 172.117,970 1,974 24.196,975 10.307,976 5.297,977 2.178,978 115.11,979 9.968,980 10.12,983 1.833,984 4.741,986 36.022,987 614.397,988 50,993 11.654,997 -0.24,999 68.93,1000 78.225,1001 0.264,1002 0.59,1003 0.762,1004 0.83,1005 0.849,1006 0.849,1007 5.209,1008 2.043,1009 6.159,1010 6.062,1011 4.779,1012 5.196,1013 2.371,1014 6.973,1015 4.649,1016 6.392,1017 1.879,1018 7.713,1019 5.638,1020 4.369,1021 5.017,1022 1.494,1023 7.811,1024 4.166,1025 7.692,1026 1.762,1027 9.357,1028 5.361,1029 6.382,1030 7.341,1031 2.651,1032 10.916,1033 6.122,1034 9.021,1035 1.459,1036 11.053,1037 5.192,1038 6.758,1039 8.014,1040 2.426,1041 12.579,1042 6.415,1043 10.383,1044 1.377,1045 12.784,1046 4.483,1047 8.239,1048 9.847,1049 3.321,1050 15.204,1051 7.845,1052 11.769,1053 1,1054 14.54,1055 4.05,1056 8.992,1057 10.944,1058 3.436,1059 17.256,1060 8.51,1061 13.174,1062 1,1063 16.316,1064 2.275,1065 10.256,1066 12.583,1067 4.179,1068 19.716,1069 9.72,1070 3.237,1071 0.724,1072 18.109,1073 2.275,1074 11.201,1075 13.895,1076 4.472,1077 21.954,1078 10.577,1079 2.869,1080 11.149,1081 19.916,1082 1.86,1083 12.378,1084 15.454,1085 5.118,1086 24.363,1087 11.693,1088 2.795,1089 8.995,1090 21.734,1091 4.578,1092 13.42,1093 16.872,1094 5.506,1095 26.688,1096 12.65,1097 2.639,1098 8.686,1099 23.564,1100 3.791,1101 14.566,1102 18.4,1103 6.093,1104 29.085,1105 13.729,1106 2.515,1107 7.688,1108 25.403,1109 3.287,1110 15.659,1111 19.87,1112 6.532,1113 31.452,1114 14.738,1115 2.382,1116 7.313,1117 27.251,1118 3.128,1119 16.799,1120 21.388,1121 7.084,1122 33.849,1123 15.805,1124 2.132,1125 7.143,1126 29.106,1127 2.807,1128 17.919,1129 22.881,1130 7.551,1131 36.236,1132 16.843,1133 18873,1134 28860,1135 28.145,1136 45.495,1137 62.119,1138 63.243,1139 63.139,1140 61.829,1141 61.856,1142 75.11,1143 10.904,1144 181.502,1145 57.878,1146 5.64,1147 5.54,1148 6.312,1149 5.305,1150 5.237,1151 7.578,1152 2.912,1153 18.438,1154 4.996,1155 14.93,1156 1.515,1157 1.543,1158 1.54,1159 1.508,1160 1.509,1161 1.832,1162 0.266,1163 4.427,1164 1.412,1165 4.113,1166 4.14,1167 4.339,1168 4.075,1169 7.431,1170 4.037,1171 3.902,1172 3.94,1173 3.881,1174 3.833,1175 5.049,1176 3.819,1177 3.879,1178 3.926,1179 3.806,1180 3.738,1181 4.702,1182 3.74,1183 3.813,1184 3.871,1185 3.706,1186 3.615,1187 4.66,1188 3.625,1189 3.551,1190 3.617,1191 3.505,1192 3.283,1193 4.422,1194 3.315,1195 3.392,1196 3.466,1197 3.353,1198 3.192,1199 4.264,1200 3.209,1201 3.213,1202 3.307,1203 3.091,1204 2.981,1205 4.197,1206 2.986,1207 3.153,1208 3.234,1209 3.059,1210 2.956,1211 3.988,1212 2.951,1213 0.113,1214 0.086,1215 0.165,1216 0.102,1217 0.079,1218 4.64,1219 0.112,1220 3.54,1221 0.04,1222 6.761,1223 0.272,1224 4.163,1225 0.073,1226 3.237,1227 4.578,1228 1.656,1229 11.149,1230 2.996,1231 1.946,1232 1.918,1233 2.024,1234 2.064,1235 1.312,1236 2.051,1237 1.795,1238 1.743,1239 1.998,1240 2.019,1241 1.255,1242 2.021,1243 1.776,1244 1.726,1245 1.887,1246 1.942,1247 1.219,1248 1.932,1249 1.604,1250 1.543,1251 1.86,1252 1.793,1253 1.106,1254 1.798,1255 1.586,1256 1.542,1257 1.731,1258 1.76,1259 0.932,1260 1.773,1261 1.483,1262 1.458,1263 1.694,1264 1.713,1265 0.859,1266 1.71,1267 1.421,1268 1.347,1269 1.601,1270 1.619,1271 0.825,1272 1.646,1273 1.153,1274 1.064,1275 1.513,1276 1.383,1277 0.688,1278 1.431,1279 4.419,1281 5.765,1282 3.045,1283 7.292,1284 5.416,1285 8.903,1286 7.506,1287 10.561,1289 3.793,1295 9.379,1296 5.38,1297 6.112,1299 0.578,1300 7.336,1305 42.615,1306 111.16,1307 248.548,1308 321.349,1309 349.978,1310 357.978,1311 357.978,1312 51.629,1313 8.74,1314 85.86,1315 114.1,1316 34,1317 12.974,1318 4.17,1319 3.322,1320 48.801,1321 162,1322 199,1323 0.144,1324 259.075,1325 443.47,1326 623.904,1327 78008,1329 24.648,1330 0.685,1331 0.602,1332 25.001,1333 21.683,1334 17.534,1335 0.428,1336 0.331,1337 12.605,1338 16.32,1339 12.235,1340 10.039,1341 17.943,1342 13.564,1343 16.325,1344 0.277,1345 0.189,1346 16.967,1347 11.158,1348 13.898,1349 0.176,1350 0.107,1351 14.685,1352 8.456,1353 11.777,1354 0.108,1355 0.059,1356 12.715,1357 6.451,1358 9.998,1359 0.069,1360 0.033,1361 10.878,1362 4.806,1363 0.225,1364 114.349,1365 0.188,1366 32.853,1367 0.399,1368 200,1369 523.223,1370 246.115,1371 522.313,1372 727.43,1373 494,1374 238,1375 528.82,1376 284.297,1377 549.096,1378 814.41,1379 517,1380 6.492}
{0 CHEMBL605915,1 1.718,2 11.036,3 3.633,4 13.196,5 105.334,6 8.261,7 0.5,8 4.011,9 4.111,10 3.718,11 3.574,12 5.085,13 3.555,14 4.583,15 4.73,16 4.115,17 3.99,18 5.68,19 3.95,20 4.801,21 4.994,22 4.111,23 4.068,24 5.788,25 4.004,26 4.781,27 5.011,28 4.01,29 4.023,30 5.779,31 3.939,32 4.684,33 4.883,34 4.032,35 4.032,36 5.701,37 3.945,38 4.642,39 4.795,40 4.07,41 4.086,42 5.665,43 3.982,44 4.705,45 4.911,46 3.867,47 4.026,48 5.614,49 3.884,50 4.608,51 4.851,52 3.565,53 3.775,54 5.567,55 3.619,56 0.061,57 0.739,58 9.018,59 4.519,60 6.793,61 5.222,62 0.486,63 1.24,64 20.3,65 7.976,66 35.551,67 9.262,68 0.496,69 1.503,70 28.112,71 9.35,72 35.66,73 11.84,74 0.443,75 1.476,76 27.168,77 9.178,78 44.94,79 11.904,80 0.405,81 1.339,82 27.914,83 9.747,84 35.796,85 11.532,86 0.326,87 1.339,88 23.183,89 9.499,90 27.75,91 10.721,92 0.283,93 1.353,94 29.243,95 10.972,96 25.146,97 13.374,98 0.459,99 1.131,100 25.163,101 9.229,102 44.933,103 12.212,104 8,105 46,106 0.29,107 0.649,108 0.786,109 0.813,110 0.813,111 0.813,112 3.375,113 0.955,114 -3.92,115 -3.87,116 -3.67,119 41.7,121 2,124 1,125 2,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,159 1,172 5,174 3,175 5,178 2,180 2,183 5,186 1,187 9,192 2,195 2,198 1,199 11,204 1,207 1,211 1,212 8,220 3,224 5,227 2,232 6,236 1,237 4,245 6,249 4,250 2,253 1,255 1,258 4,263 2,268 1,271 4,275 1222,276 19.367,277 19.367,278 19.367,279 19.367,280 19.367,281 17.447,282 20.369,283 11.257,284 20.104,285 15.791,286 15.791,287 15.791,288 15.791,289 15.791,290 12.76,291 29.203,292 5.352,293 16.915,294 3.867,295 1.734,296 0.924,297 0.766,298 0.766,299 0.766,300 4.088,304 1,305 1,306 696,307 3.082,310 123.322,311 220.345,312 80.564,314 110.875,318 1.753,319 24.498,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 61,331 309,332 4.605,333 3.642,334 6.74,335 4.138,336 3.209,337 4.53,338 2.186,339 11.052,340 2.98,341 4.154,342 3.377,343 6.115,344 3.808,345 2.861,346 3.773,347 0.86,348 8.994,349 2.722,350 3.908,351 3.09,352 5.907,353 3.692,354 2.74,355 3.199,356 0.8,357 8.458,358 2.584,359 3.819,360 2.778,361 5.498,362 3.457,363 2.508,364 3.09,365 0.366,366 7.313,367 2.368,368 3.527,369 2.524,370 5.464,371 3.215,372 2.29,373 2.707,375 7.159,376 2.115,377 3.45,378 2.397,379 4.879,380 3.005,381 2.047,382 2.675,384 5.638,385 1.938,386 2.96,387 2.093,388 4.782,389 2.839,390 1.879,391 2.162,393 5.327,394 1.794,395 2.879,396 1.582,397 4.577,398 2.406,399 1.488,400 1.879,402 4.42,403 1.365,404 2.697,405 1.535,406 4.393,407 2.366,408 1.441,409 1.732,411 4.178,412 1.317,413 2.54,414 1.461,415 3.571,416 2,417 1.052,418 1.559,420 2.414,421 1,422 2.5,423 1.063,424 3.414,425 1.933,426 1,427 1.5,428 2.275,429 0.905,430 1.995,431 1,432 3.413,433 1.652,434 0.72,435 0.826,436 1.778,437 0.662,438 1.688,439 0.964,440 3.267,441 1.424,442 0.546,443 0.657,445 1.486,446 0.472,447 1.517,448 0.649,449 2.88,450 1.255,451 0.393,452 0.425,454 0.609,455 0.335,456 1.299,457 0.482,458 2.774,459 0.867,460 -0.116,461 -0.152,463 -0.246,464 -0.112,465 13.433,466 0.48,467 0.653,468 0.023,469 36,470 1.286,471 16.5,472 0.589,473 19.5,474 0.696,475 23.845,476 0.852,477 29.767,478 0.62,479 25.255,480 0.902,481 6.753,482 0.241,483 6.938,484 0.248,485 0.062,487 0.365,493 0.818,494 1.322,495 0.692,496 1.002,497 0.609,498 0.903,499 0.94,500 0.991,501 0.877,502 0.875,503 0.564,504 0.866,505 1.089,506 1.237,507 0.929,508 0.992,509 0.803,510 0.995,511 0.939,512 0.926,513 0.84,514 0.762,515 1.013,516 0.864,517 0.93,518 0.909,519 1.105,520 0.955,521 0.935,522 0.845,523 0.896,524 1.041,525 1.253,526 1.217,527 0.952,528 1.209,529 0.57,530 1.181,531 1.307,532 1.374,533 0.477,534 1.238,535 0.508,536 0.932,537 0.965,538 1.072,539 0.484,540 1.153,541 6,542 0.175,543 2.667,544 1.41,545 1.243,546 0.948,547 0.473,548 0.329,549 0.236,550 0.132,551 10288,552 28692,553 2.2,554 41.7,556 14,557 1,559 1,561 4,564 1.711,565 2.1,566 3.394,567 -0.288,569 1,573 82.446,574 1.718,575 3.851,576 4.661,577 4.819,578 4.819,579 4.819,580 2.91,581 4.138,582 4.774,583 3.583,584 1354.45,585 8.309,586 17524.3,588 1,590 1,591 268.078,592 1.264,593 4.757,594 0.188,595 0.01,596 0.058,597 0.032,598 0.031,599 0.023,600 0.012,601 0.01,602 0.01,603 0.006,604 0.379,605 0.33,606 0.88,607 0.959,608 139.778,609 -0.052,610 -0.2,611 0.077,612 -0.041,613 -0.027,614 0.003,615 0.116,616 0.087,617 0.026,618 0.088,619 0.161,620 0.044,621 -0.108,622 -0.221,623 -0.021,624 -0.063,625 -0.026,626 -0.053,627 -0.117,628 0.11,629 0.044,630 0.121,631 -0.045,632 0.085,633 -0.077,634 0.133,635 -0.011,636 0.12,637 -0.023,638 0.149,639 -0.119,640 0.051,641 -0.222,642 -0.128,643 -0.19,644 -0.244,645 0.039,646 -0.176,647 -0.19,648 -0.248,649 0.005,650 -0.193,651 0.242,652 -0.018,653 -0.026,654 -0.112,655 0.199,656 -0.119,657 2.159,658 4.358,659 0.821,660 26.923,661 1.011,662 1.122,663 2.688,664 7.226,665 0.69,666 3.497,667 3.85,668 4.159,669 4.477,670 4.727,671 4.905,672 5.106,673 5.268,674 5.398,675 5.533,676 6.466,677 0.659,678 396.51,679 3.497,680 5.056,681 5.927,682 6.823,683 7.711,684 8.614,685 9.51,686 10.416,687 11.318,688 12.226,689 8.3,695 1,696 1,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,727 1,731 48,733 17,734 1,735 32,737 52,738 20,739 12,740 2,741 4,746 5,747 7,755 4,758 4,761 13,762 7,766 1,771 1,775 1,778 1,781 20,782 7,783 1,784 8,785 1,790 4,794 0.6,795 3,801 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,844 1,848 28,854 4,855 1,856 2,858 2,859 1,865 1,870 6.3,873 1,874 1,875 1,877 13.333,878 8.933,879 6.028,880 2.887,881 3.172,882 1.393,883 1.021,884 4.748,885 11.243,886 3.738,887 4.341,888 4.941,889 5.565,890 6.113,891 6.538,892 7.045,893 7.505,894 7.816,895 8.227,896 1,897 44,898 10.36,900 4.512,901 7.667,902 20.05,904 17.11,905 2.167,906 60.667,909 1,910 223.651,911 126.722,912 54.706,914 47.145,916 31.278,917 95.444,918 270.796,919 54.706,920 10.883,921 27.291,922 55.03,923 69.716,924 24.539,925 21.607,926 243.158,928 223.651,929 150.151,930 47.145,931 31.278,933 178.894,934 83.229,935 11,937 29.435,938 84.816,939 33.571,940 31.278,941 223.651,942 101.851,943 126.722,946 223.651,947 60.809,948 69.038,949 18.011,950 80.716,951 223.651,952 101.851,953 126.722,955 0.586,956 0.344,957 0.187,958 0.101,959 25,960 10,961 0.077,962 4,963 3,964 1.217,965 4.035,966 258.033,967 0.261,968 22,969 124.606,970 1,974 17.983,975 7.393,976 3.534,977 2.078,978 101.851,979 11.559,980 9.679,983 1.677,984 3.245,986 18.011,987 452.224,988 41,993 11.358,997 -0.493,999 48.534,1000 53.863,1001 0.308,1002 0.69,1003 0.835,1004 0.863,1005 0.863,1006 0.863,1007 4.997,1008 1.488,1009 5.916,1010 5.327,1011 4.533,1012 5.027,1013 2.483,1014 6.742,1015 4.402,1016 6.192,1017 1.441,1018 7.477,1019 4.42,1020 4.111,1021 4.832,1022 1.847,1023 7.618,1024 3.929,1025 7.499,1026 1.052,1027 9.132,1028 4.178,1029 6.142,1030 7.218,1031 3.536,1032 10.733,1033 5.89,1034 8.838,1035 1,1036 10.842,1037 2.414,1038 6.538,1039 7.89,1040 3.598,1041 12.44,1042 6.216,1043 10.211,1044 0.72,1045 12.588,1046 2.275,1047 8.019,1048 9.749,1049 4.913,1050 15.065,1051 7.642,1052 11.606,1053 0.546,1054 14.36,1055 1.778,1056 8.796,1057 10.841,1058 5.29,1059 17.141,1060 8.338,1061 13.021,1062 0.393,1063 16.152,1064 1.486,1065 10.059,1066 12.488,1067 6.388,1068 19.601,1069 9.546,1070 3.209,1071 -0.116,1072 17.959,1073 0.609,1074 11.021,1075 13.79,1076 6.93,1077 21.847,1078 10.426,1079 2.861,1080 11.052,1081 19.779,1082 -0.246,1083 12.197,1084 15.348,1085 7.902,1086 24.253,1087 11.542,1088 2.74,1089 8.994,1090 21.609,1091 4.53,1092 13.249,1093 16.754,1094 8.539,1095 26.577,1096 12.513,1097 2.508,1098 8.458,1099 23.449,1100 3.773,1101 14.395,1102 18.277,1103 9.436,1104 28.969,1105 13.593,1106 2.29,1107 7.313,1108 25.297,1109 3.199,1110 15.493,1111 19.734,1112 10.13,1113 31.331,1114 14.611,1115 2.047,1116 7.159,1117 27.151,1118 3.09,1119 16.631,1120 21.244,1121 10.981,1122 33.722,1123 15.679,1124 1.879,1125 5.638,1126 29.012,1127 2.707,1128 17.752,1129 22.726,1130 11.71,1131 36.102,1132 16.721,1133 9528,1134 16034,1135 22.076,1136 33.125,1137 48.639,1138 49.923,1139 49.3,1140 48.216,1141 48.349,1142 61.425,1143 8.425,1144 142.201,1145 45.115,1146 5.605,1147 5.642,1148 6.291,1149 5.249,1150 5.209,1151 7.53,1152 3.889,1153 18.308,1154 4.98,1155 10.262,1156 1.52,1157 1.56,1158 1.541,1159 1.507,1160 1.511,1161 1.92,1162 0.263,1163 4.444,1164 1.41,1165 4.095,1166 4.122,1167 4.318,1168 4.052,1169 7.435,1170 4.017,1171 3.901,1172 3.938,1173 3.876,1174 3.826,1175 5.055,1176 3.811,1177 3.855,1178 3.879,1179 3.805,1180 3.735,1181 4.711,1182 3.734,1183 3.497,1184 3.515,1185 3.481,1186 3.219,1187 4.662,1188 3.254,1189 3.304,1190 3.369,1191 3.316,1192 3.1,1193 4.496,1194 3.123,1195 3.156,1196 3.23,1197 3.076,1198 2.958,1199 4.294,1200 2.963,1201 3.093,1202 3.176,1203 2.89,1204 2.951,1205 3.986,1206 2.926,1207 2.983,1208 3.064,1209 2.82,1210 2.735,1211 3.74,1212 2.722,1213 0.144,1214 0.114,1215 0.211,1216 0.129,1217 0.1,1218 4.605,1219 0.142,1220 3.642,1221 0.068,1222 6.74,1223 0.345,1224 4.138,1225 0.093,1226 3.209,1227 4.53,1228 2.186,1229 11.052,1230 2.98,1231 1.945,1232 1.918,1233 2.022,1234 2.062,1235 1.255,1236 2.05,1237 1.775,1238 1.743,1239 1.886,1240 1.938,1241 1.219,1242 1.929,1243 1.604,1244 1.543,1245 1.86,1246 1.775,1247 1.105,1248 1.798,1249 1.58,1250 1.538,1251 1.71,1252 1.76,1253 0.863,1254 1.755,1255 1.378,1256 1.372,1257 1.605,1258 1.65,1259 0.621,1260 1.623,1261 1.314,1262 1.283,1263 1.392,1264 1.429,1265 0.584,1266 1.488,1267 1.048,1268 0.984,1269 1.227,1270 1.311,1271 0.496,1272 1.312,1273 0.886,1274 0.821,1275 1.215,1276 1.062,1277 0.304,1278 1.114,1279 4.174,1281 5.517,1282 3.045,1283 7.048,1284 5.352,1285 8.667,1286 7.391,1287 10.337,1289 1.34,1295 4.007,1296 2.653,1297 10.609,1299 0.603,1300 2.35,1305 31.632,1306 82.446,1307 184.853,1308 223.714,1309 231.323,1310 231.323,1311 231.323,1312 36.765,1313 8.072,1314 76.58,1315 104.82,1316 28,1317 12.744,1318 4.17,1319 3.322,1320 37.663,1321 107,1322 130,1323 0.172,1324 192.528,1325 327.82,1326 461.528,1327 36289,1329 19.087,1330 0.682,1331 0.58,1332 19.441,1333 16.238,1334 13.691,1335 0.428,1336 0.318,1337 9.219,1338 12.601,1339 8.966,1340 7.342,1341 14.145,1342 10.184,1343 12.557,1344 0.273,1345 0.173,1346 13.114,1347 7.978,1348 10.966,1349 0.174,1350 0.097,1351 11.655,1352 6.103,1353 9.398,1354 0.108,1355 0.054,1356 10.182,1357 4.698,1358 7.631,1359 0.068,1360 0.028,1361 8.215,1362 3.166,1363 0.268,1364 90.996,1365 0.213,1366 26.589,1367 0.476,1368 156,1369 467.335,1370 196.601,1371 461.699,1372 637.9,1373 436,1374 187,1375 459.741,1376 225.953,1377 475.261,1378 704.49,1379 447,1380 5.208}
{0 CHEMBL606131,1 1.69,2 11.036,3 2.985,4 8.912,5 107.284,6 8.072,7 0.5,8 4.025,9 4.139,10 3.713,11 3.59,12 5.078,13 3.563,14 4.593,15 4.755,16 4.111,17 4.011,18 5.649,19 3.962,20 4.839,21 5.044,22 4.112,23 4.086,24 5.817,25 4.016,26 4.793,27 5.03,28 4.006,29 4.039,30 5.775,31 3.947,32 4.695,33 4.903,34 4.029,35 4.053,36 5.694,37 3.957,38 4.672,39 4.84,40 4.069,41 4.109,42 5.673,43 3.995,44 4.728,45 4.942,46 3.866,47 4.04,48 5.621,49 3.893,50 4.614,51 4.862,52 3.556,53 3.788,54 5.551,55 3.628,56 0.046,57 0.786,58 9.708,59 4.458,60 6.854,61 5.437,62 0.347,63 1.307,64 20.802,65 7.976,66 27.436,67 9.768,68 0.476,69 1.555,70 30.149,71 9.585,72 39.376,73 12.533,74 0.392,75 1.499,76 27.923,77 9.235,78 43.714,79 12.326,80 0.337,81 1.389,82 28.237,83 9.715,84 33.67,85 11.977,86 0.28,87 1.402,88 24.751,89 9.752,90 27.815,91 11.566,92 0.248,93 1.381,94 30.307,95 11.191,96 25.699,97 13.904,98 0.377,99 1.153,100 25.261,101 9.276,102 41.937,103 12.354,104 8,105 46,106 0.284,107 0.651,108 0.791,109 0.817,110 0.817,111 0.817,112 3.375,113 0.968,114 -3.92,115 -3.87,116 -3.67,119 40.8,121 2,124 1,125 2,127 2,142 5,143 1,144 1,146 1,147 1,149 1,151 1,152 1,159 1,172 5,174 2,175 5,178 2,179 1,180 2,183 5,186 1,187 9,192 2,195 2,198 1,199 9,204 3,207 1,211 1,212 6,217 2,220 3,224 4,227 2,229 1,232 6,236 1,237 4,245 6,249 2,250 2,253 3,255 1,258 4,263 2,268 1,271 4,275 1222,276 19.367,277 19.367,278 19.367,279 19.367,280 19.367,281 17.447,282 21.172,283 11.257,284 19.999,285 15.791,286 15.791,287 15.791,288 15.791,289 15.791,290 12.76,291 29.939,292 5.352,293 16.809,294 3.924,295 1.739,296 0.905,297 0.75,298 0.75,299 0.75,300 4.088,304 1,305 1,306 696,307 3.082,310 123.322,311 220.345,312 80.564,314 110.875,318 1.753,319 22.887,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 60.5,331 309,332 4.605,333 3.54,334 6.74,335 4.138,336 3.209,337 4.53,338 1.656,339 11.052,340 2.98,341 4.154,342 3.377,343 6.115,344 3.808,345 2.861,346 3.773,347 0.86,348 8.994,349 2.724,350 3.908,351 3.09,352 5.907,353 3.693,354 2.74,355 3.199,356 0.8,357 8.458,358 2.586,359 3.819,360 2.776,361 5.498,362 3.468,363 2.508,364 3.09,365 0.247,366 7.313,367 2.398,368 3.527,369 2.523,370 5.464,371 3.215,372 2.29,373 2.707,375 7.159,376 2.115,377 3.45,378 2.393,379 4.879,380 3.029,381 2.047,382 2.675,384 5.638,385 1.997,386 2.96,387 2.093,388 4.782,389 2.839,390 1.879,391 2.162,393 5.327,394 1.794,395 2.879,396 1.582,397 4.577,398 2.408,399 1.488,400 1.879,402 4.42,403 1.368,404 2.697,405 1.535,406 4.393,407 2.366,408 1.441,409 1.732,411 4.178,412 1.318,413 2.54,414 1.102,415 3.571,416 2,417 1.052,418 1.559,420 2.414,421 1,422 2.5,423 1.06,424 3.414,425 1.933,426 1,427 1.5,428 2.275,429 0.905,430 1.995,431 1,432 3.413,433 1.652,434 0.72,435 0.826,436 1.778,437 0.662,438 1.688,439 0.964,440 3.267,441 1.429,442 0.546,443 0.657,445 1.486,446 0.475,447 1.517,448 0.643,449 2.88,450 1.316,451 0.393,452 0.425,454 0.609,455 0.36,456 1.299,457 0.453,458 2.774,459 0.877,460 -0.116,461 -0.152,463 -0.246,464 -0.114,465 13.5,466 0.482,467 0.653,468 0.023,469 36,470 1.286,471 16.5,472 0.589,473 19.5,474 0.696,475 23.978,476 0.856,477 29.7,478 0.606,479 25.122,480 0.897,481 6.7,482 0.239,483 6.991,484 0.25,485 0.062,487 0.363,493 0.84,494 1.33,495 0.716,496 0.972,497 0.616,498 0.896,499 0.925,500 0.991,501 0.876,502 0.914,503 0.571,504 0.894,505 1.263,506 1.177,507 0.929,508 0.961,509 0.955,510 0.963,511 1.033,512 0.929,513 0.843,514 0.761,515 1.05,516 0.861,517 0.905,518 0.935,519 1.106,520 0.974,521 0.934,522 0.866,523 0.883,524 1.029,525 1.229,526 1.218,527 0.937,528 1.2,529 0.628,530 1.151,531 1.296,532 1.363,533 0.486,534 1.216,535 0.575,536 0.913,537 0.977,538 1.09,539 0.515,540 1.156,541 6,542 0.175,543 2.667,544 1.41,545 1.243,546 0.948,547 0.473,548 0.329,549 0.236,550 0.132,551 10288,552 27172,553 2.2,554 42.9,556 14,557 1,559 2,561 4,564 1.711,565 2.1,566 3.394,567 0.282,568 1,569 1,573 82.834,574 1.69,575 3.875,576 4.709,577 4.865,578 4.865,579 4.865,580 2.91,581 4.138,582 4.774,583 3.583,584 1354.45,585 8.309,586 17524.3,588 1,590 1,591 275.121,592 1.264,593 4.757,594 0.188,595 0.01,596 0.058,597 0.032,598 0.031,599 0.023,600 0.012,601 0.01,602 0.01,603 0.006,604 0.379,605 0.5,606 0.88,607 0.959,608 139.778,609 -0.064,610 -0.177,611 0.073,612 -0.009,613 -0.039,614 0.021,615 0.097,616 0.109,617 0.029,618 0.049,619 0.124,620 0.026,621 -0.122,622 -0.183,623 -0.006,624 -0.03,625 -0.044,626 -0.021,627 -0.131,628 0.086,629 0.044,630 0.129,631 -0.049,632 0.086,633 -0.061,634 0.112,635 -0.014,636 0.103,637 -0.021,638 0.127,639 -0.095,640 0.059,641 -0.189,642 -0.125,643 -0.173,644 -0.222,645 0.043,646 -0.165,647 -0.173,648 -0.229,649 0.006,650 -0.171,651 0.214,652 -0.006,653 -0.045,654 -0.125,655 0.175,656 -0.132,657 1.909,658 4.469,659 0.821,660 26.923,661 1.006,662 1.126,663 2.688,664 7.226,665 0.687,666 3.497,667 3.85,668 4.159,669 4.477,670 4.727,671 4.905,672 5.106,673 5.268,674 5.398,675 5.533,676 6.466,677 0.652,678 395.53,679 3.497,680 5.056,681 5.927,682 6.823,683 7.711,684 8.614,685 9.51,686 10.416,687 11.318,688 12.226,689 10.2,695 1,696 2,699 2,703 2,704 6,705 2,708 1,709 4,711 16,726 1,731 49,733 17,734 1,735 32,737 53,738 20,739 12,740 2,741 4,746 5,747 7,751 1,755 4,758 4,761 13,762 7,766 1,771 1,775 1,778 1,781 21,782 7,783 2,784 8,785 1,790 5,794 0.6,795 2,801 1,806 1,811 2,812 3,813 1,815 1,839 1,840 3,842 1,844 1,848 28,854 4,855 2,856 1,858 2,859 1,865 1,870 4.1,873 1,874 1,877 13.333,878 9.017,879 6.028,880 2.992,881 3.172,882 1.393,883 1.031,884 4.748,885 11.243,886 3.738,887 4.341,888 4.941,889 5.565,890 6.113,891 6.538,892 7.045,893 7.505,894 7.816,895 8.227,896 1,897 44,898 10.368,900 4.52,901 7.631,902 20.148,904 17.255,905 2.131,906 59.667,909 1,910 223.651,911 121.749,912 72.717,914 36.145,916 31.278,917 90.471,918 259.796,919 72.717,920 8.396,921 45.302,922 55.03,923 69.716,924 13.539,925 19.121,926 243.158,928 223.651,929 163.188,930 36.145,931 31.278,933 178.894,934 72.229,935 11,937 47.446,938 79.843,939 33.571,940 31.278,941 223.651,942 108.862,943 121.749,946 223.651,947 58.322,948 66.551,949 36.022,950 69.716,951 223.651,952 108.862,953 121.749,955 0.586,956 0.344,957 0.187,958 0.101,959 25,960 10,961 0.057,962 3,963 3,964 1.217,965 4.035,966 258.033,967 0.261,968 22,969 124.606,970 1,974 17.983,975 7.393,976 3.534,977 2.097,978 108.862,979 11.71,980 9.704,983 1.684,984 3.353,986 36.022,987 454.261,988 41,993 11.469,997 -0.243,999 49.309,1000 55.152,1001 0.301,1002 0.69,1003 0.839,1004 0.866,1005 0.866,1006 0.866,1007 4.997,1008 1.488,1009 5.916,1010 5.327,1011 4.533,1012 5.027,1013 2.109,1014 6.742,1015 4.411,1016 6.192,1017 1.441,1018 7.477,1019 4.42,1020 4.111,1021 4.832,1022 1.305,1023 7.618,1024 3.942,1025 7.499,1026 1.052,1027 9.132,1028 4.178,1029 6.142,1030 7.218,1031 2.545,1032 10.733,1033 5.904,1034 8.838,1035 1,1036 10.842,1037 2.414,1038 6.538,1039 7.89,1040 2.354,1041 12.44,1042 6.232,1043 10.211,1044 0.72,1045 12.588,1046 2.275,1047 8.019,1048 9.749,1049 3.285,1050 15.065,1051 7.657,1052 11.606,1053 0.546,1054 14.36,1055 1.778,1056 8.796,1057 10.841,1058 3.414,1059 17.141,1060 8.354,1061 13.021,1062 0.393,1063 16.152,1064 1.486,1065 10.059,1066 12.488,1067 4.168,1068 19.601,1069 9.56,1070 3.209,1071 -0.116,1072 17.959,1073 0.609,1074 11.021,1075 13.79,1076 4.466,1077 21.847,1078 10.44,1079 2.861,1080 11.052,1081 19.779,1082 -0.246,1083 12.197,1084 15.348,1085 5.115,1086 24.253,1087 11.555,1088 2.74,1089 8.994,1090 21.609,1091 4.53,1092 13.249,1093 16.754,1094 5.504,1095 26.577,1096 12.525,1097 2.508,1098 8.458,1099 23.449,1100 3.773,1101 14.395,1102 18.277,1103 6.092,1104 28.969,1105 13.604,1106 2.29,1107 7.313,1108 25.297,1109 3.199,1110 15.493,1111 19.734,1112 6.531,1113 31.331,1114 14.621,1115 2.047,1116 7.159,1117 27.151,1118 3.09,1119 16.631,1120 21.244,1121 7.084,1122 33.722,1123 15.688,1124 1.879,1125 5.638,1126 29.012,1127 2.707,1128 17.752,1129 22.726,1130 7.551,1131 36.102,1132 16.729,1133 9528,1134 15602,1135 22.076,1136 33.676,1137 48.639,1138 49.773,1139 49.3,1140 48.253,1141 48.349,1142 61.425,1143 7.126,1144 142.201,1145 45.366,1146 5.605,1147 5.54,1148 6.291,1149 5.249,1150 5.209,1151 7.53,1152 2.912,1153 18.308,1154 4.98,1155 10.262,1156 1.52,1157 1.555,1158 1.541,1159 1.508,1160 1.511,1161 1.92,1162 0.223,1163 4.444,1164 1.418,1165 4.095,1166 4.123,1167 4.318,1168 4.052,1169 7.431,1170 4.017,1171 3.902,1172 3.94,1173 3.878,1174 3.827,1175 5.055,1176 3.812,1177 3.857,1178 3.884,1179 3.805,1180 3.735,1181 4.705,1182 3.734,1183 3.549,1184 3.615,1185 3.503,1186 3.27,1187 4.662,1188 3.307,1189 3.308,1190 3.374,1191 3.331,1192 3.138,1193 4.308,1194 3.142,1195 3.166,1196 3.245,1197 3.079,1198 2.976,1199 4.199,1200 2.977,1201 3.093,1202 3.176,1203 2.89,1204 2.951,1205 3.983,1206 2.926,1207 2.987,1208 3.066,1209 2.838,1210 2.735,1211 3.735,1212 2.73,1213 0.144,1214 0.111,1215 0.211,1216 0.129,1217 0.1,1218 4.605,1219 0.142,1220 3.54,1221 0.052,1222 6.74,1223 0.345,1224 4.138,1225 0.093,1226 3.209,1227 4.53,1228 1.656,1229 11.052,1230 2.98,1231 1.946,1232 1.918,1233 2.023,1234 2.063,1235 1.255,1236 2.051,1237 1.776,1238 1.743,1239 1.887,1240 1.942,1241 1.219,1242 1.932,1243 1.604,1244 1.543,1245 1.86,1246 1.792,1247 1.106,1248 1.798,1249 1.581,1250 1.538,1251 1.72,1252 1.76,1253 0.864,1254 1.771,1255 1.423,1256 1.373,1257 1.687,1258 1.708,1259 0.688,1260 1.704,1261 1.376,1262 1.347,1263 1.392,1264 1.43,1265 0.621,1266 1.488,1267 1.055,1268 0.994,1269 1.238,1270 1.314,1271 0.496,1272 1.312,1273 0.886,1274 0.821,1275 1.215,1276 1.062,1277 0.307,1278 1.114,1279 4.174,1281 5.517,1282 3.045,1283 7.048,1284 5.352,1285 8.667,1286 7.391,1287 10.337,1289 1.59,1295 4.031,1296 5.308,1297 5.99,1299 0.615,1300 2.358,1305 31.938,1306 82.834,1307 189.896,1308 230.756,1309 238.366,1310 238.366,1311 238.366,1312 37.323,1313 8.072,1314 79.38,1315 107.62,1316 28,1317 12.744,1318 4.17,1319 3.322,1320 37.663,1321 107,1322 130,1323 0.172,1324 195.326,1325 330.03,1326 468.355,1327 36289,1329 19.087,1330 0.682,1331 0.583,1332 19.441,1333 16.33,1334 13.691,1335 0.428,1336 0.323,1337 9.373,1338 12.671,1339 9.114,1340 7.474,1341 14.145,1342 10.322,1343 12.557,1344 0.273,1345 0.175,1346 13.114,1347 8.066,1348 10.966,1349 0.174,1350 0.098,1351 11.655,1352 6.156,1353 9.398,1354 0.108,1355 0.054,1356 10.182,1357 4.723,1358 7.631,1359 0.068,1360 0.028,1361 8.215,1362 3.187,1363 0.268,1364 90.438,1365 0.213,1366 26.589,1367 0.476,1368 156,1369 437.933,1370 194.945,1371 440.544,1372 613.1,1373 416,1374 187,1375 446.604,1376 224.794,1377 462.264,1378 686.05,1379 437,1380 6.374}
{0 CHEMBL606423,1 1.607,2 14.175,3 2.344,4 5.494,5 147.748,6 7.22,7 0.356,8 4.445,9 4.575,10 3.993,11 3.895,12 5.471,13 3.894,14 5.051,15 5.241,16 4.4,17 4.322,18 6.084,19 4.3,20 5.33,21 5.554,22 4.435,23 4.479,24 6.269,25 4.423,26 5.364,27 5.611,28 4.414,29 4.467,30 6.368,31 4.406,32 5.273,33 5.49,34 4.412,35 4.47,36 6.297,37 4.419,38 5.278,39 5.489,40 4.428,41 4.538,42 6.227,43 4.465,44 5.386,45 5.631,46 4.418,47 4.559,48 6.277,49 4.461,50 5.375,51 5.634,52 4.348,53 4.52,54 6.283,55 4.409,56 0.088,57 1.193,58 16.839,59 6.402,60 11.393,61 9.124,62 0.71,63 1.91,64 34.361,65 10.783,66 52.442,67 16.006,68 0.783,69 2.294,70 47.666,71 13.653,72 64.519,73 20.907,74 0.94,75 2.32,76 50.38,77 13.585,78 90.389,79 21.14,80 0.8,81 2.231,82 44.683,83 12.941,84 88.948,85 19.576,86 0.652,87 2.391,88 43.078,89 13.784,90 55.726,91 20.963,92 0.74,93 2.458,94 49.78,95 15.598,96 63.119,97 24.45,98 0.837,99 2.332,100 50.166,101 16.414,102 81.484,103 24.826,104 38,105 65,106 0.247,107 0.573,108 0.764,109 0.81,110 0.81,111 0.81,112 3.718,113 0.939,114 -4.3,115 -4.24,116 -4,119 36.8,120 2,121 4,124 1,125 4,127 4,142 4,143 2,144 1,145 1,147 1,149 1,159 2,161 1,166 1,172 5,174 6,175 15,178 2,179 1,180 2,183 6,186 2,187 8,192 2,195 2,198 6,199 18,204 3,207 3,211 2,212 10,217 2,220 4,223 3,224 12,227 2,229 1,232 8,236 5,237 9,245 6,249 6,250 7,253 4,255 1,258 8,263 8,266 1,271 8,275 3620,276 27.16,277 27.16,278 27.16,279 27.16,280 27.16,281 25.141,282 38.04,283 15.709,284 27.942,285 22.189,286 22.189,287 22.189,288 22.189,289 22.189,290 18.862,291 51.053,292 7.46,293 23.433,294 4.641,295 2.516,296 1.277,297 0.977,298 0.977,299 0.977,300 4.431,306 1241,307 4.243,310 188.674,311 470.309,312 124.943,314 171.849,318 2.11,319 42.334,322 0.5,323 0.5,324 0.67,325 0.8,326 0.5,327 0.67,328 1,329 0.66,330 88,331 567,332 4.695,333 3.784,334 6.906,335 4.244,336 3.295,337 4.638,338 2.208,339 11.631,340 3.124,341 4.185,342 3.54,343 6.353,344 3.876,345 2.941,346 3.796,347 1.656,348 9.71,349 2.766,350 4.05,351 3.415,352 6.114,353 3.802,354 2.844,355 3.378,356 0.86,357 8.984,358 2.721,359 3.955,360 3.197,361 6.039,362 3.725,363 2.782,364 3.168,365 0.8,366 8.636,367 2.597,368 3.836,369 2.905,370 5.768,371 3.543,372 2.596,373 3.119,374 0.655,375 8.06,376 2.448,377 3.708,378 2.769,379 5.465,380 3.452,381 2.492,382 2.798,383 0.247,384 7.313,385 2.382,386 3.45,387 2.54,388 5.418,389 3.133,390 2.202,391 2.685,392 0.13,393 6.764,394 2.041,395 3.319,396 2.426,397 4.879,398 3.033,399 2.056,400 2.405,402 5.638,403 2.002,404 3.085,405 2.349,406 4.785,407 2.966,408 2.021,409 2.162,411 5.328,412 1.89,413 2.96,414 2.11,415 4.769,416 2.839,417 1.879,418 2.099,420 5.304,421 1.794,422 2.879,423 2.093,424 4.655,425 2.466,426 1.506,427 1.879,428 4.543,429 1.437,430 2.734,431 1.545,432 4.402,433 2.44,434 1.488,435 1.747,436 4.226,437 1.411,438 2.611,439 1.535,440 4.107,441 2.189,442 1.235,443 1.636,445 3.311,446 1.165,447 2.5,448 1.115,449 3.778,450 2,451 1.036,452 1.5,454 2.714,455 1,456 2.375,457 1.096,458 3.663,459 1.993,460 1,461 1.302,463 2.275,464 0.985,465 18.533,466 0.463,467 1.057,468 0.026,469 46.25,470 1.156,471 18,472 0.45,473 28.25,474 0.706,475 43.653,476 1.091,477 45.067,478 0.593,479 39.588,480 0.99,481 8.612,482 0.215,483 10.761,484 0.269,485 0.117,487 0.388,493 0.793,494 1.61,495 0.789,496 1.297,497 0.589,498 1.074,499 0.821,500 1.128,501 0.857,502 1.008,503 0.501,504 0.944,505 1.218,506 1.182,507 1.014,508 0.998,509 0.844,510 0.975,511 1.175,512 0.909,513 1.007,514 0.849,515 1.273,516 0.88,517 1.271,518 1.051,519 1.051,520 0.895,521 1.529,522 0.925,523 0.833,524 1.176,525 1.112,526 1.144,527 0.738,528 1.16,529 0.619,530 1.146,531 0.945,532 1.098,533 0.45,534 1.074,535 0.552,536 0.869,537 0.903,538 1.017,539 0.467,540 1.017,541 9,542 0.436,543 4.444,544 2.382,545 1.88,546 1.698,547 1.054,548 0.668,549 0.493,550 0.431,551 26159,552 66072,553 2.135,554 47.4,556 19,558 1,559 2,561 10,562 4,564 1.805,565 2,566 3.721,567 0.199,573 122.119,574 1.607,575 3.732,576 4.971,577 5.271,578 5.271,579 5.271,580 3.212,581 4.872,582 5.282,583 3.947,584 3078.42,585 9.362,586 52521,591 474.842,592 1.406,593 5.255,594 0.2,595 0.009,596 0.068,597 0.036,598 0.029,599 0.026,600 0.016,601 0.01,602 0.008,603 0.008,604 0.411,605 0.17,606 0.63,607 1.156,608 224.371,609 -0.013,610 -0.292,611 0.082,612 -0.136,613 -0.018,614 -0.029,615 0.181,616 0.038,617 0.094,618 0.025,619 0.167,620 0.039,621 -0.144,622 -0.139,623 -0.029,624 -0.003,625 -0.043,627 -0.121,628 0.123,629 -0.006,630 0.094,631 -0.09,632 0.07,633 -0.199,634 0.027,635 -0.073,636 0.105,637 -0.213,638 0.047,639 -0.067,640 -0.012,641 -0.189,642 -0.107,643 -0.097,644 -0.161,645 0.084,646 -0.091,647 -0.006,648 -0.078,649 0.05,650 -0.06,651 0.159,652 0.143,653 0.047,654 -0.003,655 0.141,656 0.001,657 1.943,658 5.412,659 0.725,660 56.45,661 1.007,662 1.14,663 3.069,664 9.419,665 0.638,666 3.829,667 4.19,668 4.489,669 4.804,670 5.075,671 5.288,672 5.533,673 5.753,674 5.966,675 6.174,676 8.275,677 0.611,678 548.72,679 3.829,680 5.398,681 6.267,682 7.166,683 8.055,684 8.961,685 9.861,686 10.774,687 11.681,688 12.598,689 10.5,695 1,696 3,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 76,733 18,734 1,735 45,737 81,738 28,739 11,740 2,741 4,746 6,747 8,751 1,752 2,755 7,758 8,761 13,762 15,766 2,771 2,775 2,781 36,782 11,783 2,784 12,790 8,794 0.667,795 4,801 1,803 1,806 1,811 2,812 4,813 1,815 1,837 1,839 1,840 4,844 3,848 40,854 8,855 2,856 2,858 4,859 2,870 5.3,873 2,874 1,875 1,877 20,878 14.367,879 8.611,880 4.896,881 3.071,882 1.341,883 0.983,884 7.841,885 12.085,886 4.025,887 4.593,888 5.157,889 5.762,890 6.318,891 6.782,892 7.313,893 7.805,894 8.199,895 8.641,896 0.9,897 66,898 14.893,900 6.478,901 7.692,902 28.793,904 24.482,905 2.192,906 87.667,910 400.217,911 117.485,912 94.281,914 72.29,917 117.485,918 472.507,919 94.281,920 26.047,921 57.707,922 37.905,923 125.01,924 35.791,925 13.366,926 388.446,928 400.217,929 211.766,930 72.29,933 237.75,934 226.085,935 11,937 87.896,938 71.307,939 50.234,941 400.217,942 166.57,943 117.485,946 400.217,947 44.486,948 81.024,949 36.022,950 122.524,951 400.217,952 166.57,953 117.485,955 0.589,956 0.338,957 0.182,958 0.099,959 33,960 15,961 0.074,962 6,963 3,964 1.172,965 4.9,966 422.873,967 0.207,968 28,969 196.877,974 27.245,975 11.512,976 5.788,977 1.708,978 164.794,979 9.394,980 14.877,984 3.007,985 2.006,986 36.022,987 684.273,988 55,993 24.134,997 -0.538,999 76.494,1000 86.637,1001 0.257,1002 0.597,1003 0.796,1004 0.844,1005 0.844,1006 0.844,1007 5.308,1008 2.056,1009 6.267,1010 6.764,1011 4.875,1012 5.281,1013 2.857,1014 7.102,1015 4.768,1016 6.495,1017 2.021,1018 7.839,1019 5.638,1020 4.511,1021 5.13,1022 2.2,1023 8.021,1024 4.349,1025 7.801,1026 1.879,1027 9.505,1028 5.328,1029 6.497,1030 7.422,1031 3.824,1032 11.133,1033 6.278,1034 9.137,1035 1.506,1036 11.226,1037 5.304,1038 6.929,1039 8.131,1040 3.876,1041 12.881,1042 6.65,1043 10.507,1044 1.488,1045 12.984,1046 4.543,1047 8.391,1048 9.938,1049 5.122,1050 15.52,1051 8.062,1052 11.902,1053 1.235,1054 14.769,1055 4.226,1056 9.192,1057 11.065,1058 5.498,1059 17.636,1060 8.802,1061 13.317,1062 1.036,1063 16.573,1064 3.311,1065 10.45,1066 12.691,1067 6.553,1068 20.12,1069 10.011,1070 3.295,1071 1,1072 18.393,1073 2.714,1074 11.43,1075 14.025,1076 7.101,1077 22.405,1078 10.932,1079 2.941,1080 11.631,1081 20.226,1082 2.275,1083 12.609,1084 15.582,1085 8.048,1086 24.843,1087 12.061,1088 2.844,1089 9.71,1090 22.07,1091 4.638,1092 13.677,1093 17.019,1094 8.696,1095 27.209,1096 13.072,1097 2.782,1098 8.984,1099 23.924,1100 3.796,1101 14.832,1102 18.552,1103 9.58,1104 29.639,1105 14.176,1106 2.596,1107 8.636,1108 25.785,1109 3.378,1110 15.945,1111 20.037,1112 10.287,1113 32.044,1114 15.234,1115 2.492,1116 8.06,1117 27.654,1118 3.168,1119 17.096,1120 21.565,1121 11.134,1122 34.477,1123 16.334,1124 2.202,1125 7.313,1126 29.529,1127 3.119,1128 18.234,1129 23.074,1130 11.875,1131 36.902,1132 17.418,1133 24546,1134 39153,1135 30.342,1136 48.523,1137 68.92,1138 70.871,1139 70.441,1140 68.303,1141 68.321,1142 82.657,1143 13.112,1144 201.996,1145 64.807,1146 5.695,1147 5.784,1148 6.457,1149 5.35,1150 5.295,1151 7.638,1152 3.912,1153 19.2,1154 5.124,1155 20.493,1156 1.532,1157 1.575,1158 1.565,1159 1.518,1160 1.518,1161 1.837,1162 0.291,1163 4.489,1164 1.44,1165 4.147,1166 4.198,1167 4.121,1168 3.988,1169 7.434,1170 4.014,1171 3.903,1172 3.952,1173 3.845,1174 3.808,1175 7.43,1176 3.813,1177 3.901,1178 3.937,1179 3.802,1180 3.731,1181 5.135,1182 3.74,1183 3.805,1184 3.855,1185 3.722,1186 3.629,1187 4.753,1188 3.64,1189 3.618,1190 3.674,1191 3.491,1192 3.435,1193 4.67,1194 3.431,1195 3.547,1196 3.615,1197 3.453,1198 3.254,1199 4.525,1200 3.298,1201 3.334,1202 3.408,1203 3.253,1204 3.074,1205 4.48,1206 3.11,1207 3.178,1208 3.256,1209 3.071,1210 2.971,1211 4.207,1212 2.982,1213 0.104,1214 0.084,1215 0.153,1216 0.094,1217 0.073,1218 4.695,1219 0.103,1220 3.784,1221 0.049,1222 6.906,1223 0.258,1224 4.244,1225 0.069,1226 3.295,1227 4.638,1228 2.208,1229 11.631,1230 3.124,1231 1.955,1232 1.923,1233 2.049,1234 2.101,1235 1.409,1236 2.083,1237 1.848,1238 1.798,1239 2.013,1240 2.023,1241 1.255,1242 2.02,1243 1.77,1244 1.725,1245 1.898,1246 1.948,1247 1.219,1248 1.936,1249 1.606,1250 1.55,1251 1.886,1252 1.839,1253 1.105,1254 1.848,1255 1.604,1256 1.543,1257 1.86,1258 1.785,1259 1.053,1260 1.798,1261 1.563,1262 1.517,1263 1.712,1264 1.76,1265 0.881,1266 1.766,1267 1.423,1268 1.349,1269 1.682,1270 1.712,1271 0.825,1272 1.705,1273 1.287,1274 1.214,1275 1.513,1276 1.596,1277 0.688,1278 1.552,1279 4.511,1281 5.861,1282 3.045,1283 7.394,1284 5.416,1285 9.014,1286 7.516,1287 10.683,1289 5.305,1295 6.458,1296 5.344,1297 11.489,1299 0.397,1300 4.087,1305 46.406,1306 122.119,1307 283.597,1308 377.823,1309 400.578,1310 400.578,1311 400.578,1312 73.522,1313 9.015,1314 126.74,1315 126.74,1316 34,1317 13.111,1318 4.248,1319 3.459,1320 57.006,1321 190,1322 234,1323 0.141,1324 278.988,1325 485.5,1326 672.492,1327 108011,1329 27.802,1330 0.695,1331 0.579,1332 27.802,1333 23.169,1334 19.373,1335 0.431,1336 0.313,1337 13.823,1338 18.366,1339 13.519,1340 11.118,1341 19.373,1342 14.08,1343 18.052,1344 0.278,1345 0.169,1346 18.052,1347 10.992,1348 15.221,1349 0.173,1350 0.089,1351 15.221,1352 7.81,1353 13.112,1354 0.108,1355 0.048,1356 13.112,1357 5.801,1358 10.607,1359 0.067,1360 0.026,1361 10.607,1362 4.163,1363 0.221,1364 122.947,1365 0.182,1366 35.719,1367 0.391,1368 220,1369 643.479,1370 250.354,1371 605.435,1372 837.66,1373 570,1374 263,1375 634.187,1376 293.696,1377 628.317,1378 932.59,1379 593,1380 5.694}
{0 CHEMBL606621,1 1.589,2 12.229,3 2.226,4 4.953,5 129.918,6 7.237,7 0.4,8 4.313,9 4.442,10 3.865,11 3.79,12 5.332,13 3.784,14 4.916,15 5.097,16 4.273,17 4.236,18 5.914,19 4.206,20 5.229,21 5.459,22 4.306,23 4.381,24 6.163,25 4.313,26 5.228,27 5.49,28 4.237,29 4.344,30 6.163,31 4.264,32 5.096,33 5.332,34 4.268,35 4.327,36 6.056,37 4.264,38 5.085,39 5.294,40 4.3,41 4.36,42 6.082,43 4.308,44 5.132,45 5.343,46 4.292,47 4.382,48 6.104,49 4.312,50 5.185,51 5.424,52 4.159,53 4.396,54 6.081,55 4.279,56 0.088,57 1.052,58 14.665,59 5.708,60 12.842,61 7.974,62 0.424,63 1.727,64 29.186,65 9.968,66 36.629,67 14.343,68 0.652,69 2.096,70 43.021,71 12.754,72 63.143,73 19.335,74 0.743,75 2.085,76 43.909,77 12.135,78 73.268,79 19.138,80 0.492,81 1.944,82 36.865,83 11.385,84 52.179,85 17.658,86 0.511,87 2.016,88 35.356,89 10.722,90 50.576,91 16.364,92 0.549,93 2.046,94 37.179,95 11.827,96 48.214,97 18.005,98 0.581,99 2.026,100 40.245,101 14.034,102 60.303,103 20.644,104 13,105 58,106 0.251,107 0.597,108 0.749,109 0.801,110 0.82,111 0.82,112 3.589,113 0.938,114 -4.4,115 -4.33,116 -4.08,119 37.9,121 6,124 1,125 2,127 4,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 11,178 2,179 1,180 4,183 6,186 2,187 10,192 4,195 4,198 5,199 12,204 3,207 3,211 1,212 12,215 1,217 2,220 6,224 11,227 3,229 1,232 4,236 3,237 13,240 1,242 1,245 8,249 2,250 2,253 4,255 1,258 12,263 4,266 3,268 1,271 12,275 2286,276 24.091,277 24.091,278 24.091,279 24.091,280 24.091,281 22.202,282 29.653,283 13.921,284 24.657,285 19.728,286 19.728,287 19.728,288 19.728,289 19.728,290 16.664,291 36.102,292 6.631,293 20.68,294 4.456,295 2.271,296 1.311,297 0.981,298 0.86,299 0.86,300 4.308,304 1,305 1,306 958,307 3.317,310 155.976,311 388.061,312 103.522,314 140.572,318 1.734,319 35.403,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 76.5,331 428,332 4.695,333 3.54,334 6.906,335 4.243,336 3.295,337 4.638,338 1.656,339 11.631,340 3.124,341 4.184,342 3.415,343 6.35,344 3.863,345 2.929,346 3.796,347 0.86,348 9.702,349 2.761,350 4.039,351 3.199,352 6.114,353 3.798,354 2.828,355 3.376,356 0.8,357 8.983,358 2.718,359 3.838,360 2.915,361 5.777,362 3.602,363 2.643,364 3.166,365 0.247,366 8.093,367 2.527,368 3.727,369 2.77,370 5.465,371 3.467,372 2.502,373 2.806,375 7.313,376 2.406,377 3.458,378 2.601,379 5.44,380 3.304,381 2.363,382 2.685,384 6.892,385 2.215,386 3.449,387 2.418,388 5.022,389 3.035,390 2.055,391 2.518,393 5.916,394 2.003,395 3.119,396 2.217,397 4.879,398 2.949,399 2,400 2.187,402 5.638,403 1.886,404 2.959,405 2.093,406 4.782,407 2.839,408 1.879,409 2.151,411 5.327,412 1.794,413 2.879,414 1.569,415 4.646,416 2.44,417 1.488,418 1.879,420 4.473,421 1.412,422 2.662,423 1.535,424 4.4,425 2.379,426 1.436,427 1.697,428 4.211,429 1.35,430 2.511,431 1.129,432 4.031,433 2.052,434 1.1,435 1.515,436 3.022,437 1.043,438 2.5,439 1.098,440 3.664,441 2,442 1,443 1.5,445 2.275,446 1,447 2.074,448 1,449 3.414,450 2,451 1,452 1,454 2.275,455 1,456 2,457 1,458 3.414,459 1.725,460 0.775,461 0.955,463 2.077,464 0.732,465 16.3,466 0.466,467 0.862,468 0.025,469 41,470 1.171,471 16.5,472 0.471,473 24.5,474 0.7,475 36.07,476 1.031,477 38.9,478 0.589,479 32.407,480 0.926,481 7.41,482 0.212,483 9.658,484 0.276,485 0.072,487 0.387,493 0.853,494 1.467,495 0.802,496 1.183,497 0.726,498 1.011,499 0.884,500 1.185,501 0.898,502 1.089,503 0.632,504 1.009,505 1.187,506 1.177,507 1.006,508 0.999,509 0.954,510 0.982,511 1.016,512 0.885,513 0.977,514 0.815,515 1.01,516 0.864,517 0.799,518 1.094,519 0.847,520 0.907,521 0.805,522 0.877,523 1.011,524 1.108,525 1.095,526 1.019,527 0.812,528 1.04,529 0.832,530 1.211,531 1.084,532 1.157,533 0.598,534 1.148,535 0.665,536 0.928,537 1.073,538 1.124,539 0.568,540 1.155,541 7.5,542 0.297,543 3.778,544 1.882,545 1.64,546 1.434,547 0.932,548 0.56,549 0.406,550 0.342,551 18126,552 43972,553 2.191,554 47,556 15,558 1,559 3,561 12,564 1.774,565 2.079,566 3.513,567 0.848,573 104.847,574 1.589,575 3.773,576 4.733,577 5.063,578 5.184,579 5.184,580 3.022,581 4.672,582 5.092,583 3.713,584 2209.11,585 8.985,586 33541.2,591 398.93,592 1.313,593 5.074,594 0.188,595 0.008,596 0.065,597 0.032,598 0.03,599 0.025,600 0.016,601 0.01,602 0.008,603 0.008,604 0.39,605 0.17,606 0.75,607 0.89,608 186.808,609 -0.035,610 -0.179,611 0.069,612 -0.048,613 -0.045,614 0.015,615 0.072,616 -0.017,617 0.033,618 -0.041,619 0.078,620 -0.02,621 -0.119,622 -0.158,623 -0.022,624 -0.011,625 -0.041,626 -0.008,627 -0.084,628 0.139,629 0.014,630 0.119,631 -0.071,632 0.09,633 -0.001,634 -0.024,635 0.103,636 0.097,637 -0.03,638 0.117,639 -0.137,640 0.063,641 -0.156,642 -0.026,643 -0.096,644 -0.077,645 0.002,646 -0.08,647 -0.15,648 -0.141,649 -0.009,650 -0.164,651 0.044,652 0.12,653 -0.141,654 -0.091,655 0.039,656 -0.137,657 1.929,658 4.651,659 0.829,660 40.723,661 1.005,662 1.138,663 3.169,664 10.044,665 0.645,666 3.714,667 4.078,668 4.394,669 4.718,670 5.011,671 5.215,672 5.451,673 5.666,674 5.875,675 6.068,676 7.166,677 0.615,678 477.63,679 3.714,680 5.283,681 6.159,682 7.06,683 7.955,684 8.865,685 9.77,686 10.685,687 11.598,688 12.517,689 10.6,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 66,733 17,734 1,735 40,737 71,738 25,739 11,740 2,741 4,746 6,747 8,751 1,755 10,758 10,761 12,762 13,766 1,771 1,775 1,781 31,782 9,783 3,784 10,790 7,794 0.667,795 3,797 1,801 1,803 1,806 1,811 2,812 4,813 1,815 1,838 1,839 1,840 4,844 1,848 35,853 1,854 8,855 2,856 1,858 4,859 1,870 4.5,871 1,873 1,874 1,877 16.833,878 11.783,879 7.5,880 4.24,881 3.063,882 1.352,883 0.982,884 6.188,885 11.766,886 3.912,887 4.497,888 5.091,889 5.717,890 6.296,891 6.761,892 7.292,893 7.782,894 8.169,895 8.596,896 1,897 58,898 13.032,900 5.761,901 7.657,902 25.393,904 22.152,905 2.157,906 75.5,910 329.591,911 93.93,912 91.156,914 78.828,917 93.93,918 408.419,919 91.156,920 8.396,921 55.44,922 80.588,923 99.865,924 24.792,925 6.604,926 317.82,928 329.591,929 185.086,930 78.828,933 190.666,934 166.398,935 53.683,937 67.979,938 64.545,939 50.234,941 329.591,942 169.985,943 93.93,946 329.591,947 38.581,948 60.25,949 36.022,950 129.062,951 329.591,952 169.985,953 93.93,955 0.589,956 0.344,957 0.185,958 0.105,959 31,960 13,961 0.056,962 4,963 3,964 1.172,965 4.538,966 360.119,967 0.207,968 28,969 165.525,974 22.865,975 9.472,976 4.54,977 1.789,978 168.208,979 9.459,980 14.784,984 3.11,985 2.034,986 78.705,987 593.505,988 49,993 11.651,997 -0.263,999 66.298,1000 75.099,1001 0.263,1002 0.624,1003 0.783,1004 0.838,1005 0.858,1006 0.858,1007 5.193,1008 2,1009 6.155,1010 5.916,1011 4.762,1012 5.185,1013 2.109,1014 6.993,1015 4.668,1016 6.38,1017 1.879,1018 7.725,1019 5.638,1020 4.369,1021 5.017,1022 1.305,1023 7.908,1024 4.217,1025 7.687,1026 1.488,1027 9.39,1028 5.327,1029 6.385,1030 7.351,1031 2.545,1032 11.031,1033 6.192,1034 9.026,1035 1.436,1036 11.111,1037 4.473,1038 6.804,1039 8.061,1040 2.354,1041 12.789,1042 6.546,1043 10.401,1044 1.1,1045 12.87,1046 4.211,1047 8.282,1048 9.892,1049 3.285,1050 15.438,1051 7.986,1052 11.8,1053 1,1054 14.655,1055 3.022,1056 9.079,1057 11.025,1058 3.414,1059 17.567,1060 8.718,1061 13.22,1062 1,1063 16.462,1064 2.275,1065 10.346,1066 12.663,1067 4.168,1068 20.061,1069 9.945,1070 3.295,1071 0.775,1072 18.285,1073 2.275,1074 11.328,1075 14.004,1076 4.466,1077 22.359,1078 10.863,1079 2.929,1080 11.631,1081 20.122,1082 2.077,1083 12.516,1084 15.568,1085 5.115,1086 24.805,1087 12.005,1088 2.828,1089 9.702,1090 21.97,1091 4.638,1092 13.589,1093 17.008,1094 5.504,1095 27.179,1096 13.017,1097 2.643,1098 8.983,1099 23.829,1100 3.796,1101 14.751,1102 18.545,1103 6.092,1104 29.615,1105 14.13,1106 2.502,1107 8.093,1108 25.696,1109 3.376,1110 15.869,1111 20.032,1112 6.531,1113 32.025,1114 15.191,1115 2.363,1116 7.313,1117 27.571,1118 3.166,1119 17.027,1120 21.561,1121 7.084,1122 34.462,1123 16.297,1124 2.055,1125 6.892,1126 29.452,1127 2.806,1128 18.171,1129 23.071,1130 7.551,1131 36.891,1132 17.384,1133 16721,1134 26170,1135 27.452,1136 42.54,1137 61.136,1138 62.158,1139 62.369,1140 60.689,1141 60.674,1142 73.956,1143 7.126,1144 180.167,1145 57.848,1146 5.695,1147 5.54,1148 6.457,1149 5.35,1150 5.295,1151 7.638,1152 2.912,1153 19.199,1154 5.124,1155 14.506,1156 1.528,1157 1.554,1158 1.559,1159 1.517,1160 1.517,1161 1.849,1162 0.178,1163 4.504,1164 1.446,1165 4.146,1166 4.197,1167 4.12,1168 3.99,1169 7.431,1170 4.014,1171 3.905,1172 3.952,1173 3.845,1174 3.812,1175 6.449,1176 3.815,1177 3.902,1178 3.937,1179 3.801,1180 3.739,1181 5.135,1182 3.744,1183 3.79,1184 3.838,1185 3.679,1186 3.659,1187 4.752,1188 3.659,1189 3.548,1190 3.616,1191 3.469,1192 3.255,1193 4.67,1194 3.299,1195 3.33,1196 3.406,1197 3.252,1198 3.086,1199 4.488,1200 3.114,1201 3.17,1202 3.254,1203 3.053,1204 2.971,1205 4.205,1206 2.98,1207 3.111,1208 3.206,1209 2.928,1210 2.951,1211 4.108,1212 2.926,1213 0.117,1214 0.088,1215 0.173,1216 0.106,1217 0.082,1218 4.695,1219 0.116,1220 3.54,1221 0.041,1222 6.906,1223 0.291,1224 4.243,1225 0.078,1226 3.295,1227 4.638,1228 1.656,1229 11.631,1230 3.124,1231 1.957,1232 1.925,1233 2.08,1234 2.101,1235 1.468,1236 2.087,1237 1.872,1238 1.825,1239 2.021,1240 2.021,1241 1.255,1242 2.027,1243 1.776,1244 1.736,1245 1.898,1246 1.947,1247 1.22,1248 1.936,1249 1.604,1250 1.543,1251 1.86,1252 1.793,1253 1.106,1254 1.798,1255 1.568,1256 1.524,1257 1.715,1258 1.76,1259 0.902,1260 1.77,1261 1.423,1262 1.349,1263 1.684,1264 1.715,1265 0.825,1266 1.707,1267 1.315,1268 1.244,1269 1.513,1270 1.604,1271 0.739,1272 1.569,1273 1.153,1274 1.064,1275 1.489,1276 1.376,1277 0.688,1278 1.429,1279 4.394,1281 5.746,1282 3.045,1283 7.287,1284 5.416,1285 8.914,1286 7.516,1287 10.59,1289 1.586,1294 9.989,1295 7.141,1296 5.341,1297 6.071,1299 0.477,1300 2.331,1305 40.616,1306 104.847,1307 249.014,1308 312.401,1309 334.175,1310 342.175,1311 342.175,1312 59.295,1313 8.703,1314 117.43,1315 117.43,1316 34,1317 13.028,1318 4.17,1319 3.322,1320 46.755,1321 148,1322 186,1323 0.153,1324 242.348,1325 416.45,1326 583.09,1327 72984,1329 23.941,1330 0.684,1331 0.567,1332 23.941,1333 19.853,1334 17.068,1335 0.427,1336 0.313,1337 12.298,1338 16.293,1339 12.109,1340 9.903,1341 17.068,1342 12.5,1343 15.791,1344 0.272,1345 0.169,1346 15.791,1347 9.803,1348 13.817,1349 0.173,1350 0.093,1351 13.817,1352 7.417,1353 11.748,1354 0.106,1355 0.05,1356 11.748,1357 5.535,1358 9.938,1359 0.067,1360 0.027,1361 9.938,1362 4.047,1363 0.237,1364 107.728,1365 0.191,1366 31.799,1367 0.433,1368 196,1369 534.512,1370 219.29,1371 508.849,1372 709.08,1373 480,1374 236,1375 538.643,1376 260.378,1377 536.021,1378 797.37,1379 508,1380 6.644}
{0 CHEMBL607707,1 1.741,2 12.182,3 4.455,4 19.85,5 127.416,6 8.357,7 0.486,8 4.115,9 4.23,10 3.765,11 3.654,12 5.338,13 3.648,14 4.613,15 4.785,16 4.116,17 4.002,18 5.798,19 3.984,20 4.834,21 5.005,22 4.271,23 4.151,24 6.105,25 4.119,26 4.919,27 5.142,28 4.193,29 4.161,30 6.08,31 4.103,32 4.857,33 5.044,34 4.198,35 4.183,36 6.093,37 4.131,38 4.91,39 5.104,40 4.252,41 4.211,42 6.133,43 4.168,44 4.947,45 5.136,46 4.283,47 4.194,48 6.265,49 4.149,50 4.882,51 5.08,52 4.226,53 4.09,54 6.218,55 4.042,56 0.095,57 0.876,58 9.303,59 4.733,60 12.354,61 5.74,62 0.345,63 1.33,64 19.526,65 7.606,66 28.764,67 9.51,68 0.587,69 1.591,70 27.41,71 9.828,72 65.215,73 11.813,74 0.637,75 1.647,76 32.014,77 10.947,78 76.635,79 14.371,80 0.634,81 1.574,82 27.665,83 10.338,84 66.36,85 13.351,86 0.483,87 1.668,88 27.734,89 10.532,90 58.974,91 13.507,92 0.7,93 1.663,94 30.368,95 10.426,96 101.477,97 12.75,98 0.67,99 1.574,100 32.228,101 10.268,102 93.011,103 12.735,104 67,105 48,106 0.284,107 0.671,108 0.83,109 0.87,110 0.87,111 0.87,112 3.532,113 0.903,114 -3.5,115 -3.48,116 -3.32,119 42.9,120 1,124 2,125 2,135 2,142 5,143 2,144 6,145 1,146 1,158 2,172 3,175 8,178 1,180 6,183 4,187 4,190 1,192 5,195 4,198 2,199 3,202 2,204 2,207 8,211 2,212 4,215 2,216 1,217 2,220 8,224 8,227 1,232 8,236 1,237 6,240 2,242 3,245 4,249 2,250 7,255 3,258 4,262 1,263 4,268 1,271 2,275 2119,276 21.963,277 21.963,278 21.963,279 21.963,280 21.963,281 19.446,282 30.281,283 13.049,284 22.598,285 17.174,286 17.174,287 17.174,288 17.174,289 17.174,290 13.194,291 40.331,292 6.062,293 18.194,294 4.066,295 1.687,296 0.712,297 0.469,298 0.469,299 0.469,300 4.212,301 1,304 1,305 1,306 829,307 4.301,311 289.302,315 157.841,318 1.785,319 41.916,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 72.333,331 402,332 4.64,333 4.073,334 6.741,335 4.181,336 3.204,337 4.576,338 2.035,339 11.049,340 3.129,341 4.225,342 3.496,343 6.166,344 3.794,345 2.852,346 3.874,347 1.058,348 9.164,349 2.698,350 4.133,351 3.314,352 5.948,353 3.697,354 2.758,355 3.661,356 0.916,357 8.312,358 2.554,359 3.79,360 3.222,361 5.636,362 3.362,363 2.373,364 3.133,365 0.86,366 7.336,367 2.344,368 3.629,369 2.951,370 5.197,371 3.169,372 2.232,373 2.896,374 0.4,375 6.356,376 2.102,377 3.531,378 2.644,379 5.063,380 3.088,381 2.152,382 2.817,383 0.172,384 6.092,385 1.986,386 3.302,387 2.462,388 4.805,389 3.062,390 2.103,391 2.6,393 5.264,394 1.979,395 3.216,396 2.23,397 4.641,398 2.775,399 1.811,400 2.238,402 5.09,403 1.738,404 3.003,405 2.115,406 4.27,407 2.358,408 1.439,409 1.949,411 3.788,412 1.312,413 2.82,414 2.053,415 4.041,416 2.318,417 1.414,418 1.764,420 3.521,421 1.217,422 2.711,423 1.721,424 3.566,425 2.003,426 1.024,427 1.356,428 2.181,429 0.996,430 2.525,431 1.509,432 3.196,433 1.911,434 0.965,435 1.257,436 1.909,437 0.904,438 2.158,439 1.241,440 3.179,441 1.681,442 0.745,443 1.114,445 1.534,446 0.695,447 1.713,448 0.89,449 2.861,450 1.281,451 0.354,452 0.451,454 0.714,455 0.32,456 1.45,457 0.665,458 2.767,459 1.046,460 0.153,461 0.184,463 0.348,464 0.127,465 15.667,466 0.475,467 0.856,468 0.026,469 44.75,470 1.356,471 23.5,472 0.712,473 21.25,474 0.644,475 27.481,476 0.833,477 35.333,478 0.631,479 38.803,480 1.176,481 9.092,482 0.276,483 6.724,484 0.204,485 0.206,487 0.345,491 1,493 0.707,494 1.222,495 0.629,496 1.027,497 0.541,498 0.918,499 0.892,500 1.007,501 0.686,502 0.817,503 0.547,504 0.778,505 1.062,506 1.168,507 0.918,508 1.046,509 0.849,510 0.996,511 0.816,512 0.834,513 0.77,514 0.847,515 0.789,516 0.843,517 0.668,518 0.758,519 0.846,520 0.943,521 0.803,522 0.952,523 0.873,524 0.988,525 0.739,526 0.938,527 0.873,528 0.925,529 1.191,530 0.946,531 0.965,532 0.905,533 1.352,534 0.966,535 1.144,536 1.097,537 1.061,538 1.052,539 1.132,540 0.999,541 7.5,542 0.272,543 3.778,544 2.063,545 2.342,546 1.236,547 1.011,548 0.785,549 0.587,550 0.318,551 13567,552 45041,553 1.976,554 41.1,556 17,558 1,559 2,561 3,564 1.759,565 1.817,566 3.544,567 0.222,569 1,573 97.521,574 1.741,575 4.12,576 5.095,577 5.338,578 5.338,579 5.338,580 3.052,581 4.923,582 5.008,583 3.722,584 1965.4,585 8.815,586 29265.6,591 325.212,592 1.52,593 4.954,594 0.214,595 0.009,596 0.079,597 0.04,598 0.047,599 0.024,600 0.019,601 0.015,602 0.013,603 0.008,604 0.467,605 0.33,606 0.88,607 1.798,608 174.212,609 -0.056,610 -0.156,611 0.017,612 -0.064,613 -0.033,614 -0.012,615 -0.058,616 -0.003,617 0.097,618 0.129,619 0.047,620 0.15,621 -0.044,622 -0.138,623 -0.014,624 -0.075,625 0.005,626 -0.062,627 0.033,628 0.093,629 0.11,630 0.112,632 0.141,633 0.123,634 0.131,635 -0.014,636 0.018,637 0.005,638 0.009,639 -0.056,640 -0.062,641 0.042,642 0.008,643 -0.04,644 0.03,645 -0.142,646 -0.031,647 -0.055,648 0.029,649 -0.15,650 -0.045,651 -0.031,652 -0.134,653 0.007,654 -0.071,655 0.017,656 -0.041,657 2.212,658 5.576,659 0.485,660 38.123,661 1.015,662 1.131,663 2.274,664 5.171,665 0.685,666 3.584,667 3.892,668 4.127,669 4.382,670 4.673,671 4.812,672 4.963,673 5.136,674 5.242,675 5.231,676 7.18,677 0.661,678 467.97,679 3.584,680 5.118,681 5.953,682 6.828,683 7.692,684 8.577,685 9.456,686 10.348,687 11.236,688 12.132,689 8.9,692 1,696 1,697 1,698 1,699 1,703 2,704 6,705 1,709 7,711 17,713 1,724 1,729 1,730 2,731 56,733 20,734 2,735 35,737 58,738 24,739 15,740 7,741 5,742 3,746 3,747 4,748 1,752 1,760 1,761 18,762 5,766 2,771 1,773 2,775 1,778 1,779 1,781 23,782 8,783 2,784 9,785 1,790 5,794 0.667,795 2,805 1,812 3,816 1,826 1,831 2,836 1,840 2,844 3,845 1,846 1,848 33,854 2,855 2,856 1,859 1,861 1,866 1,868 1,869 2,870 3.6,873 1,875 1,877 18.167,878 11.136,879 7.472,880 3.252,881 3.688,882 1.477,883 0.963,884 8.24,885 11.426,886 3.882,887 4.466,888 5.058,889 5.659,890 6.292,891 6.701,892 7.153,893 7.631,894 8.061,895 8.264,896 1,897 52,898 12.176,900 5.094,901 8.008,902 22.506,904 17.572,905 2.508,906 82.778,910 247.193,911 163.042,912 86.991,913 39.149,914 36.145,915 14.96,917 163.042,918 322.487,919 101.951,920 25.618,921 24.709,922 66.334,923 75.008,924 106.28,925 14.96,926 235.422,927 39.149,928 247.193,929 250.032,930 51.105,931 39.149,933 226.84,934 71.458,937 96.92,938 117.374,939 74.887,941 262.153,942 123.136,943 202.19,946 247.193,947 45.441,948 104.123,949 52.623,950 138.098,951 247.193,952 138.096,953 202.19,955 0.572,956 0.324,957 0.171,958 0.101,959 20,960 11,961 0.138,962 8,963 1,964 1.125,965 4.201,966 298.779,967 0.125,968 16,969 162.465,974 24.473,975 11.111,976 6.206,977 1.125,978 138.096,979 9.007,980 4.357,984 1.51,986 36.022,987 587.479,988 47.5,993 12.449,995 3.195,997 -0.318,999 56.836,1000 63.346,1001 0.3,1002 0.71,1003 0.877,1004 0.919,1005 0.919,1006 0.919,1007 5.119,1008 1.811,1009 5.943,1010 5.264,1011 4.575,1012 5.153,1013 2.696,1014 6.744,1015 4.47,1016 6.345,1017 1.439,1018 7.499,1019 5.09,1020 4.205,1021 5.037,1022 0.325,1023 7.636,1024 4.04,1025 7.658,1026 1.414,1027 9.154,1028 3.788,1029 6.159,1030 7.392,1031 3.686,1032 10.725,1033 5.976,1034 9.005,1035 1.024,1036 10.865,1037 3.521,1038 6.567,1039 8.09,1040 0.393,1041 12.433,1042 6.33,1043 10.382,1044 0.965,1045 12.613,1046 2.181,1047 8.017,1048 9.942,1049 4.992,1050 15.062,1051 7.766,1052 11.781,1053 0.745,1054 14.387,1055 1.909,1056 8.794,1057 11.038,1058 0.384,1059 17.137,1060 8.499,1061 13.199,1062 0.354,1063 16.18,1064 1.534,1065 10.044,1066 12.683,1067 6.385,1068 19.603,1069 9.734,1070 3.204,1071 0.153,1072 17.989,1073 0.714,1074 11.005,1075 13.983,1076 0.351,1077 21.848,1078 10.661,1079 2.852,1080 11.049,1081 19.81,1082 0.348,1083 12.176,1084 15.541,1085 7.799,1086 24.258,1087 11.815,1088 2.758,1089 9.164,1090 21.642,1091 4.576,1092 13.228,1093 16.946,1094 0.312,1095 26.582,1096 12.842,1097 2.373,1098 8.312,1099 23.483,1100 3.874,1101 14.371,1102 18.469,1103 9.218,1104 28.976,1105 13.968,1106 2.232,1107 7.336,1108 25.331,1109 3.661,1110 15.468,1111 19.926,1112 0.273,1113 31.337,1114 15.044,1115 2.152,1116 6.356,1117 27.186,1118 3.133,1119 16.606,1120 21.438,1121 10.638,1122 33.728,1123 16.164,1124 2.103,1125 6.092,1126 29.047,1127 2.896,1128 17.726,1129 22.923,1130 0.236,1131 36.107,1132 17.266,1133 13649,1134 25112,1135 22.482,1136 38.347,1137 52.977,1138 56.136,1139 53.867,1140 51.253,1141 51.16,1142 67.74,1143 10.884,1144 145.316,1145 48.201,1146 5.46,1147 6.073,1148 6.503,1149 5.222,1150 5.204,1151 7.576,1152 4.069,1153 18.277,1154 5.129,1155 20.822,1156 1.514,1157 1.604,1158 1.539,1159 1.464,1160 1.462,1161 1.935,1162 0.311,1163 4.152,1164 1.377,1165 4.104,1166 4.129,1167 4.093,1168 4.023,1169 8.201,1170 4.034,1171 3.89,1172 3.912,1173 3.987,1174 3.821,1175 7.43,1176 3.821,1177 3.754,1178 3.812,1179 3.676,1180 3.595,1181 6.82,1182 3.605,1183 3.609,1184 3.655,1185 3.546,1186 3.461,1187 5.001,1188 3.475,1189 3.479,1190 3.546,1191 3.349,1192 3.25,1193 4.857,1194 3.25,1195 3.388,1196 3.448,1197 3.326,1198 3.205,1199 4.608,1200 3.209,1201 3.12,1202 3.191,1203 3.244,1204 2.927,1205 4.421,1206 2.944,1207 3.088,1208 3.155,1209 3.019,1210 2.884,1211 4.368,1212 2.909,1213 0.133,1214 0.116,1215 0.193,1216 0.119,1217 0.092,1218 4.64,1219 0.131,1220 4.073,1221 0.058,1222 6.741,1223 0.316,1224 4.181,1225 0.089,1226 3.204,1227 4.576,1228 2.035,1229 11.049,1230 3.129,1231 2.044,1232 2.024,1233 2.09,1234 2.14,1235 1.241,1236 2.127,1237 1.856,1238 1.836,1239 1.928,1240 1.952,1241 1.048,1242 1.951,1243 1.702,1244 1.652,1245 1.903,1246 1.903,1247 1.035,1248 1.908,1249 1.553,1250 1.515,1251 1.799,1252 1.76,1253 0.936,1254 1.765,1255 1.438,1256 1.363,1257 1.673,1258 1.69,1259 0.708,1260 1.689,1261 1.371,1262 1.305,1263 1.557,1264 1.543,1265 0.633,1266 1.554,1267 1.052,1268 0.99,1269 1.417,1270 1.3,1271 0.469,1272 1.308,1273 0.993,1274 0.938,1275 1.258,1276 1.248,1277 0.311,1278 1.293,1279 4.263,1281 5.572,1283 7.074,1285 8.676,1287 10.338,1289 5.646,1290 5.905,1291 13.576,1295 1.007,1296 5.955,1297 5.701,1300 1.931,1303 9.626,1304 2.106,1305 37.015,1306 97.521,1307 230.742,1308 285.338,1309 298.947,1310 298.947,1311 298.947,1312 85.645,1313 7.738,1314 90.28,1315 90.28,1316 18,1317 12.659,1318 4.392,1319 3.755,1320 63.824,1321 137,1322 165,1323 0.223,1324 235.173,1325 416.16,1326 565.581,1327 23568,1328 3.6,1329 23.957,1330 0.726,1331 0.582,1332 23.587,1333 19.203,1334 15.816,1335 0.452,1336 0.301,1337 10.019,1338 14.844,1339 9.668,1340 8.091,1341 15.694,1342 10.538,1343 14.149,1344 0.295,1345 0.162,1346 14.061,1347 7.772,1348 11.196,1349 0.184,1350 0.08,1351 10.796,1352 4.866,1353 8.993,1354 0.114,1355 0.041,1356 9.163,1357 3.256,1358 7.536,1359 0.071,1360 0.021,1361 7.446,1362 2.187,1363 0.347,1364 102.829,1365 0.211,1366 30.485,1367 0.624,1368 166,1369 591.387,1370 199.045,1371 578.63,1372 759.47,1373 536,1374 192,1375 518.076,1376 222.203,1377 532.639,1378 771.75,1379 497,1380 5}
{0 CHEMBL608095,1 1.777,2 7.1,3 1.297,4 1.683,5 76.655,6 8.708,7 0.652,8 3.663,9 3.773,10 3.432,11 3.214,12 4.739,13 3.199,14 4.206,15 4.369,16 3.757,17 3.592,18 5.26,19 3.562,20 4.329,21 4.54,22 3.655,23 3.578,24 5.323,25 3.528,26 4.265,27 4.483,28 3.692,29 3.549,30 5.259,31 3.507,32 4.264,33 4.478,34 3.638,35 3.59,36 5.234,37 3.528,38 4.276,39 4.468,40 3.645,41 3.583,42 5.276,43 3.506,44 4.257,45 4.493,46 3.403,47 3.479,48 5.161,49 3.297,50 3.954,51 4.236,52 2.658,53 3.058,54 4.622,55 2.743,56 0.056,57 0.573,58 5.74,59 2.846,60 4.147,61 3.205,62 0.315,63 0.922,64 14.312,65 5.035,66 16.422,67 5.461,68 0.369,69 0.974,70 16.282,71 5.505,72 21.351,73 6.874,74 0.277,75 0.963,76 14.89,77 4.727,78 17.898,79 6.412,80 0.282,81 0.932,82 14.241,83 4.96,84 19.169,85 6.331,86 0.286,87 0.954,88 13.94,89 4.736,90 18.227,91 5.917,92 0.327,93 0.831,94 18.02,95 6.256,96 23.304,97 7.703,98 0.206,99 0.533,100 20.181,101 6.472,102 16.941,103 7.539,105 32,106 0.326,107 0.689,108 0.804,109 0.815,110 0.815,111 0.815,112 3.06,113 0.968,114 -3.67,115 -3.64,116 -3.46,119 39.4,125 4,142 1,143 1,146 1,147 1,149 1,151 2,160 1,161 1,172 1,174 2,175 2,178 2,183 2,186 4,187 2,198 1,199 3,202 2,204 1,211 1,212 2,217 1,223 1,224 2,229 1,236 1,237 2,240 1,250 1,263 1,275 456,276 14.137,277 14.137,278 14.137,279 14.137,280 14.137,281 12.474,282 10.455,283 8.527,284 14.845,285 11.414,286 11.414,287 11.414,288 11.414,289 11.414,290 8.892,291 14.862,292 4.079,293 12.514,294 3.267,295 1.296,296 0.667,297 0.606,298 0.606,299 0.606,300 3.762,304 1,305 1,306 320,307 1.732,310 82.45,311 95.245,314 68.89,318 0.93,319 14.911,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 43.5,331 142,332 4.603,333 3.304,334 6.731,335 4.131,336 3.192,337 4.529,338 0.86,339 11.011,340 2.996,341 4.103,342 2.829,343 6.102,344 3.696,345 2.74,346 3.706,347 0.8,348 8.909,349 2.619,350 3.738,351 2.641,352 5.765,353 3.418,354 2.5,355 3.05,357 7.806,358 2.291,359 3.285,360 2.233,361 4.683,362 2.714,363 1.823,364 2.655,366 4.795,367 1.623,368 3.015,369 1.8,370 4.534,371 2.659,372 1.765,373 2.101,375 4.687,376 1.569,377 2.635,378 1.555,379 3.751,380 2.126,381 1.256,382 1.695,384 2.974,385 1.087,386 2.404,387 1.256,388 3.472,389 2.017,390 1.124,391 1.382,393 2.508,394 0.999,395 2.299,396 1.146,397 3.383,398 1.952,399 1,400 1.231,402 2.136,403 0.946,404 2.118,405 0.865,406 3.247,407 1.736,408 0.855,409 1,411 2.065,412 0.738,413 2,414 0.618,415 3.174,416 1.502,417 0.618,418 0.927,420 1.372,421 0.532,422 1.909,423 0.551,424 3,425 1.385,426 0.493,427 0.689,428 1.325,429 0.438,430 0.939,431 -0.297,432 2.698,433 0.494,434 -0.421,435 -0.519,436 -1.132,437 -0.384,438 0.626,439 -0.36,440 2.335,441 0.161,442 -0.762,443 -0.954,445 -1.958,446 -0.695,447 0.252,448 -0.714,449 2.171,450 -0.004,451 -0.947,452 -1,454 -2.347,455 -0.846,456 0.048,457 -0.886,458 1.607,459 -0.149,460 -1,461 -1.218,463 -2.516,464 -0.889,465 9.667,466 0.483,467 0.342,468 0.017,469 27.25,470 1.363,471 12.5,472 0.625,473 14.75,474 0.738,475 13.987,476 0.699,477 20.933,478 0.634,479 16.144,480 0.807,481 5.183,482 0.259,483 4.733,484 0.237,487 0.3,493 0.949,494 1.447,495 0.673,496 0.976,497 0.785,498 0.876,499 1.338,500 0.949,501 1.002,502 0.875,503 1.061,504 0.826,505 1.067,506 1.016,507 0.807,508 0.811,509 0.932,510 0.911,511 0.758,512 1.07,513 0.663,514 0.821,515 0.984,516 0.859,517 0.975,518 0.919,519 0.771,520 0.706,521 1.131,522 0.85,523 1.114,524 1.146,525 1.011,526 1.052,527 1.188,528 1.191,529 0.841,530 0.874,531 1.151,532 1.127,533 1.012,534 1.232,535 0.789,536 0.874,537 1.59,538 1.491,539 0.776,540 1.247,541 2.5,543 2,544 0.715,545 0.876,546 0.601,547 0.266,548 0.037,549 0.029,550 0.007,551 3793,552 10760,553 2.259,554 39.4,556 9,557 2,558 1,559 1,564 1.625,565 2.222,566 2.863,567 -0.173,569 1,571 1,573 58.644,574 1.777,575 3.749,576 4.378,577 4.438,578 4.438,579 4.438,580 2.202,581 3.822,582 4.295,583 2.949,584 560.256,585 7.373,586 5588.88,587 1,588 1,591 166.465,592 0.881,593 4.295,594 0.109,596 0.063,597 0.025,598 0.03,599 0.021,600 0.011,601 0.002,602 0.005,603 0.003,604 0.269,605 0.67,606 1,608 86.192,609 -0.097,610 -0.326,611 0.076,612 -0.067,613 -0.003,614 -0.02,615 -0.133,616 0.128,617 -0.098,618 0.059,619 -0.035,620 0.04,621 0.002,622 -0.045,623 -0.019,624 0.011,625 0.095,626 -0.003,627 0.061,628 -0.057,629 0.116,630 -0.007,631 0.007,632 0.05,633 -0.118,634 0.09,635 -0.001,636 0.12,637 -0.169,638 0.063,639 -0.175,640 -0.104,641 -0.196,642 -0.194,643 -0.258,644 -0.31,645 0.068,646 0.041,647 -0.077,648 -0.08,649 -0.062,650 -0.201,651 0.065,652 -0.099,653 -0.079,654 -0.124,655 0.096,656 -0.012,657 0.926,658 1.906,659 1,660 12.2,661 1.014,662 1.13,663 2.439,664 5.948,665 0.702,666 3.178,667 3.497,668 3.829,669 4.143,670 4.331,671 4.477,672 4.654,673 4.754,674 4.71,675 4.635,676 4.476,677 0.67,678 287.38,679 3.178,680 4.71,681 5.58,682 6.466,683 7.356,684 8.252,685 9.149,686 10.05,687 10.951,688 11.854,689 15.2,695 1,697 1,699 3,703 2,704 4,705 3,706 1,708 1,709 3,711 15,726 1,731 33,733 15,735 23,737 36,738 13,739 9,746 4,747 5,761 9,762 4,777 1,778 1,781 13,782 5,783 1,784 7,785 1,787 1,790 5,794 0.75,795 1,806 1,811 2,812 2,815 1,839 1,840 3,842 1,848 20,854 4,856 1,859 1,865 1,870 3,874 1,877 9,878 5.967,879 4.361,880 1.956,881 2.767,882 1.398,883 1.047,884 3.127,885 9.722,886 3.45,887 4.069,888 4.736,889 5.392,890 5.844,891 6.328,892 6.812,893 7.23,894 7.389,895 7.599,896 0.8,897 29,898 7.371,900 3.162,901 7.558,902 14.312,904 11.93,905 2.058,906 41.167,907 0.001,910 141.253,911 89.768,912 70.266,914 11,916 31.278,917 58.49,918 152.253,919 70.266,921 13.396,922 24.774,923 83.461,924 27.567,925 25.87,926 137.218,928 141.253,929 128.756,930 11,931 31.278,933 143.581,935 11,937 42.66,938 33.412,939 50.357,940 31.278,941 141.253,942 81.266,943 89.768,946 141.253,947 56.375,948 36.517,949 16.786,950 61.356,951 141.253,952 81.266,953 89.768,955 0.573,956 0.345,957 0.201,958 0.102,959 18,960 6,961 0.056,962 2,963 1,964 1.1,965 3.32,966 161.962,967 0.1,968 20,969 82.439,970 1,974 12.239,975 5.11,976 2.224,977 1.605,978 64.481,979 7.789,980 13.631,981 3.085,983 1.644,984 2.672,986 16.786,987 312.287,988 30.5,999 33.447,1000 37.282,1001 0.352,1002 0.743,1003 0.868,1004 0.88,1005 0.88,1006 0.88,1007 4.67,1008 1,1009 5.541,1010 2.508,1011 4.174,1012 4.754,1013 1.235,1014 6.365,1015 4.009,1016 5.86,1017 0.855,1018 7.094,1019 2.136,1020 3.611,1021 4.477,1022 0.325,1023 7.273,1024 3.445,1025 7.162,1026 0.618,1027 8.755,1028 2.065,1029 5.759,1030 7.003,1031 0.938,1032 10.43,1033 5.469,1034 8.509,1035 0.493,1036 10.484,1037 1.372,1038 6.133,1039 7.712,1040 0.268,1041 12.222,1042 5.835,1043 9.898,1044 -0.421,1045 12.256,1046 1.325,1047 7.658,1048 9.598,1049 0.732,1050 14.86,1051 7.26,1052 11.315,1053 -0.762,1054 14.058,1055 -1.132,1056 8.45,1057 10.742,1058 0.188,1059 16.991,1060 8.026,1061 12.752,1062 -0.947,1063 15.88,1064 -1.958,1065 9.734,1066 12.388,1067 0.57,1068 19.462,1069 9.227,1070 3.192,1071 -1,1072 17.716,1073 -2.347,1074 10.717,1075 13.73,1076 0.125,1077 21.737,1078 10.167,1079 2.74,1080 11.011,1081 19.562,1082 -2.516,1083 11.908,1084 15.284,1085 0.438,1086 24.151,1087 11.285,1088 2.5,1089 8.909,1090 21.417,1091 4.529,1092 12.979,1093 16.715,1094 0.082,1095 26.489,1096 12.303,1097 1.823,1098 7.806,1099 23.278,1100 3.706,1101 14.136,1102 18.236,1103 0.334,1104 28.886,1105 13.393,1106 1.765,1107 4.795,1108 25.144,1109 3.05,1110 15.248,1111 19.707,1112 0.054,1113 31.253,1114 14.446,1115 1.256,1116 4.687,1117 27.015,1118 2.655,1119 16.397,1120 21.217,1121 0.252,1122 33.646,1123 15.529,1124 1.124,1125 2.974,1126 28.89,1127 2.101,1128 17.528,1129 22.707,1130 0.035,1131 36.028,1132 16.598,1133 3527,1134 6054,1135 16.296,1136 23.176,1137 35.041,1138 34.803,1139 34.467,1140 34.684,1141 34.733,1142 45.932,1143 3.32,1144 99.178,1145 31.675,1146 5.603,1147 5.304,1148 6.533,1149 5.235,1150 5.192,1151 7.529,1152 1.72,1153 18.221,1154 4.889,1156 1.524,1157 1.513,1158 1.499,1159 1.508,1160 1.51,1161 1.997,1162 0.144,1163 4.312,1164 1.377,1165 4.098,1166 4.15,1167 4.224,1168 3.967,1169 5.178,1170 3.963,1171 3.806,1172 3.82,1173 4.02,1174 3.791,1175 4.706,1176 3.746,1177 3.727,1178 3.788,1179 3.612,1180 3.495,1181 4.619,1182 3.514,1183 3.21,1184 3.277,1185 3.236,1186 2.987,1187 4.389,1188 3.006,1189 3.111,1190 3.206,1191 2.879,1192 2.941,1193 4.036,1194 2.91,1195 2.883,1196 2.946,1197 2.866,1198 2.648,1199 3.597,1200 2.665,1201 2.546,1202 2.639,1203 2.53,1204 2.368,1205 3.474,1206 2.313,1207 2.481,1208 2.569,1209 2.397,1210 2.282,1211 3.295,1212 2.258,1213 0.2,1214 0.144,1215 0.293,1216 0.18,1217 0.139,1218 4.603,1219 0.197,1220 3.304,1221 0.037,1222 6.731,1223 0.479,1224 4.131,1225 0.13,1226 3.192,1227 4.529,1228 0.86,1229 11.011,1230 2.996,1231 1.853,1232 1.81,1233 1.951,1234 2.049,1235 1.212,1236 2.02,1237 1.634,1238 1.582,1239 1.785,1240 1.865,1241 0.891,1242 1.847,1243 1.418,1244 1.384,1245 1.554,1246 1.645,1247 0.825,1248 1.615,1249 1.333,1250 1.308,1251 1.513,1252 1.517,1253 0.662,1254 1.527,1255 1.297,1256 1.249,1257 1.48,1258 1.376,1259 0.545,1260 1.429,1261 1.153,1262 1.064,1263 1.233,1264 1.283,1265 0.408,1266 1.387,1267 0.717,1268 0.637,1269 1.053,1270 1.083,1271 0.205,1272 1.069,1273 0.535,1274 0.468,1275 0.785,1276 0.81,1278 0.784,1279 3.85,1281 5.165,1282 3.045,1283 6.681,1284 5.209,1285 8.294,1286 7.154,1287 9.963,1295 3.123,1297 5.406,1300 2.213,1305 22.116,1306 58.644,1307 123.71,1308 144.465,1309 146.465,1310 146.465,1311 146.465,1312 19.427,1313 6.955,1314 66.93,1315 95.17,1316 22,1317 12.374,1318 4,1319 3.087,1320 25.937,1321 53,1322 50,1323 0.245,1324 137.432,1325 217.78,1326 327.093,1327 8489,1329 13.364,1330 0.668,1331 0.578,1332 13.717,1333 11.56,1334 9.916,1335 0.431,1336 0.323,1337 6.431,1338 8.925,1339 6.262,1340 5.107,1341 10.416,1342 7.423,1343 8.693,1344 0.272,1345 0.168,1346 9.191,1347 5.362,1348 7.77,1349 0.173,1350 0.09,1351 8.285,1352 4.034,1353 6.849,1354 0.11,1355 0.048,1356 7.446,1357 2.971,1358 5.156,1359 0.069,1360 0.023,1361 5.474,1362 1.703,1363 0.364,1364 67.795,1365 0.248,1366 19.408,1367 0.737,1368 110,1369 331.509,1370 142.006,1371 336.765,1372 469.89,1373 320,1374 132,1375 338.581,1376 161.569,1377 352.545,1378 522.76,1379 332,1380 5.623}
{0 CHEMBL608154,1 1.716,2 8.731,3 2.737,4 7.493,5 98.273,6 8.947,7 0.724,8 3.849,9 3.95,10 3.571,11 3.435,12 5.058,13 3.438,14 4.334,15 4.472,16 3.963,17 3.819,18 5.516,19 3.813,20 4.508,21 4.644,22 4.123,23 3.947,24 5.74,25 3.933,26 4.608,27 4.76,28 4.124,29 3.954,30 5.859,31 3.923,32 4.66,33 4.842,34 4.045,35 3.912,36 5.908,37 3.857,38 4.542,39 4.731,40 4.015,41 3.825,42 5.792,43 3.79,44 4.455,45 4.606,46 3.916,47 3.776,48 5.711,49 3.739,50 4.424,51 4.589,52 3.766,53 3.745,54 5.642,55 3.67,56 0.082,57 0.605,58 5.726,59 3.248,60 6.403,61 3.636,62 0.262,63 0.945,64 12.328,65 5.532,66 21.856,67 6.314,68 0.387,69 1.117,70 16.022,71 6.569,72 29.763,73 7.388,74 0.43,75 1.191,76 17.437,77 7.243,78 35.698,79 8.18,80 0.648,81 1.141,82 26.997,83 8.34,84 64.551,85 9.432,86 0.457,87 1.034,88 23.227,89 7.658,90 51.68,91 8.973,92 0.497,93 0.939,94 18.891,95 6.735,96 47.237,97 7.318,98 0.411,99 0.94,100 16.736,101 6.487,102 39.202,103 7.245,104 18,105 42,106 0.296,107 0.689,108 0.814,109 0.876,110 0.885,111 0.885,112 3.306,113 0.861,114 -2.77,115 -2.78,116 -2.7,119 46.3,120 1,124 1,142 4,143 3,144 3,145 3,146 1,152 2,158 1,172 5,175 5,178 1,180 3,183 5,187 5,190 2,191 1,192 4,195 3,198 1,199 4,202 2,204 5,207 2,211 1,212 4,215 1,217 3,220 2,224 5,227 1,229 1,232 4,236 2,237 5,240 1,242 2,245 6,249 1,250 4,258 7,263 2,271 2,275 1004,276 17.715,277 17.715,278 17.715,279 17.715,280 17.715,281 15.084,282 12.855,283 10.253,284 18.205,285 14.237,286 14.237,287 14.237,288 14.237,289 14.237,290 10.213,291 14.608,292 4.739,293 14.966,294 3.642,295 1.364,296 0.641,297 0.281,298 0.232,299 0.232,300 4.001,301 1,303 1,304 1,305 1,306 496,307 3.082,310 38.409,311 183.441,314 156.923,318 1.157,319 27.105,321 1,322 1,323 1,324 1,325 0.4,327 1,328 1,329 0.77,330 56.333,331 227,332 4.798,333 3.634,334 6.976,335 4.308,336 3.339,337 4.884,338 1.058,339 11.883,340 3.235,341 4.331,342 3.431,343 6.444,344 3.955,345 2.963,346 3.967,347 0.86,348 9.902,349 2.937,350 4.214,351 3.037,352 6.347,353 3.758,354 2.809,355 3.879,357 9.501,358 2.655,359 3.599,360 2.655,361 5.638,362 3.132,363 2.216,364 3.025,366 7.095,367 1.999,368 3.486,369 2.477,370 5.282,371 3.004,372 2.035,373 2.905,375 6.318,376 1.953,377 3.332,378 2.149,379 4.885,380 2.856,381 1.883,382 2.601,384 5.244,385 1.808,386 2.972,387 1.757,388 4.503,389 2.451,390 1.505,391 2.189,393 4.148,394 1.408,395 2.861,396 1.514,397 3.884,398 2.403,399 1.414,400 2.015,402 3.084,403 1.398,404 2.754,405 1.511,406 3.643,407 2.224,408 1.305,409 1.867,411 2.929,412 1.188,413 2.557,414 1.31,415 3.597,416 2.046,417 1.099,418 1.532,420 2.72,421 1.029,422 2.101,423 1.224,424 3.481,425 1.66,426 0.791,427 0.965,428 1.722,429 0.659,430 1.94,431 0.796,432 3.415,433 1.539,434 0.598,435 0.809,436 1.496,437 0.552,438 1.216,439 0.609,440 2.722,441 0.844,442 -0.087,443 -0.104,445 -0.169,446 -0.08,447 1.092,448 0.176,449 2.569,450 0.706,451 -0.288,452 -0.37,454 -0.605,455 -0.226,456 0.965,457 0.042,458 2.438,459 0.502,460 -0.327,461 -0.414,463 -0.753,464 -0.284,465 12.481,466 0.48,467 0.661,468 0.025,469 38,470 1.462,471 20.5,472 0.788,473 17.5,474 0.673,475 19.23,476 0.74,477 26.519,478 0.647,479 28.173,480 1.084,481 7.675,482 0.295,483 4.922,484 0.189,485 0.164,487 0.401,493 0.784,494 1.223,495 0.569,496 0.891,497 0.607,498 0.793,499 0.943,500 1.061,501 0.624,502 0.745,503 0.679,504 0.708,505 0.882,506 1.069,507 0.86,508 0.995,509 0.926,510 0.929,511 1.053,512 1.214,513 0.914,514 1.101,515 1.086,516 1.088,517 1.345,518 0.932,519 1.338,520 1.024,521 1.589,522 1.006,523 1.143,524 0.887,525 0.994,526 0.913,527 1.24,528 0.816,529 1.381,530 0.915,531 1.157,532 1.009,533 1.423,534 1.004,535 1.232,536 1.114,537 1.181,538 1.147,539 1.097,540 1.231,541 4.5,542 0.035,543 3.556,544 2.576,545 1.675,546 1.198,547 0.733,548 0.476,549 0.334,550 0.085,551 7175,552 22170,553 2.101,554 36.6,556 7,558 3,559 2,560 3,564 1.698,565 1.95,566 3.101,567 0.289,568 1,569 1,573 70.346,574 1.716,575 3.994,576 4.717,577 5.077,578 5.126,579 5.126,580 2.459,581 4.47,582 4.674,583 3.241,584 1053.27,585 8.139,586 12656.3,587 1,588 1,590 1,591 219.66,592 1.46,593 4.624,594 0.155,595 0.004,596 0.085,597 0.056,598 0.039,599 0.032,600 0.019,601 0.014,602 0.012,603 0.006,604 0.421,605 0.5,606 1,607 0.777,608 123.913,609 -0.086,610 -0.122,611 0.015,612 -0.022,613 -0.077,614 0.021,615 -0.063,616 -0.006,617 0.092,618 0.161,619 -0.006,620 0.164,621 0.065,622 -0.006,623 -0.016,624 -0.085,625 -0.028,626 -0.068,628 -0.178,629 -0.05,630 -0.184,631 -0.003,632 -0.207,633 -0.072,634 0.022,635 -0.125,636 -0.02,637 -0.109,638 -0.04,639 -0.003,640 0.059,641 0.137,642 0.095,643 0.091,644 0.177,645 -0.073,646 0.04,647 -0.115,648 -0.029,649 -0.111,650 -0.082,651 -0.159,652 -0.143,653 -0.229,654 -0.182,655 -0.087,656 -0.296,657 1.95,658 5.797,659 0.731,660 19.509,661 1.017,662 1.118,663 1.536,664 2.358,665 0.716,666 3.401,667 3.761,668 4.111,669 4.431,670 4.682,671 4.828,672 5.011,673 5.159,674 5.13,675 5.176,676 5.391,677 0.695,678 366.83,679 3.401,680 4.963,681 5.849,682 6.758,683 7.664,684 8.582,685 9.497,686 10.419,687 11.339,688 12.264,689 9.8,696 1,697 1,699 2,703 4,704 7,705 2,706 1,709 5,711 21,718 1,729 1,730 1,731 41,733 22,734 1,735 29,737 44,738 19,739 16,740 5,741 1,742 1,746 4,747 7,748 1,752 1,761 17,762 2,766 1,771 1,775 1,777 1,778 1,781 15,782 5,783 2,784 7,785 1,790 4,794 0.5,795 2,805 2,807 1,811 1,812 3,815 2,840 2,844 2,845 1,848 26,855 1,856 1,869 1,870 4.9,873 1,875 1,877 13.333,878 8.21,879 5.722,880 2.286,881 4.267,882 1.558,883 1.03,884 4.267,885 11.911,886 3.726,887 4.428,888 5.134,889 5.827,890 6.454,891 6.898,892 7.417,893 7.907,894 8.148,895 8.49,896 0.833,897 46,898 9.568,900 4.133,901 7.818,902 17.935,904 14.685,905 2.318,906 60.278,909 1,910 153.024,911 116.337,912 68.367,913 39.149,914 36.145,917 116.337,918 228.318,919 68.367,920 19.708,921 18.011,922 37.905,923 98.734,924 77.517,925 4.288,926 117.711,927 39.149,928 153.024,929 184.705,930 36.145,931 39.149,933 153.024,934 36.145,937 73.52,938 77.613,939 72.72,941 153.024,942 104.512,943 155.486,946 153.024,947 31.582,948 84.756,949 34.796,950 108.865,951 153.024,952 104.512,953 155.486,955 0.585,956 0.365,957 0.209,958 0.111,959 22,960 10,961 0.068,962 3,963 2,964 1.211,965 3.644,966 234.873,967 0.211,968 19,969 122.211,974 16.824,975 6.595,976 2.828,977 3.419,978 87.727,979 12.252,980 8.297,981 3.288,984 2.424,986 34.796,987 413.023,988 40.5,993 12.797,997 -0.283,999 41.687,1000 45.847,1001 0.32,1002 0.745,1003 0.88,1004 0.948,1005 0.957,1006 0.957,1007 4.965,1008 1.414,1009 5.855,1010 4.148,1011 4.443,1012 5.115,1013 1.552,1014 6.737,1015 4.353,1016 6.216,1017 1.305,1018 7.459,1019 3.084,1020 4.111,1021 5.085,1023 7.774,1024 3.994,1025 7.561,1026 1.099,1027 9.166,1028 2.929,1029 6.098,1030 7.48,1031 1.527,1032 10.93,1033 5.95,1034 8.947,1035 0.791,1036 10.933,1037 2.72,1038 6.608,1039 8.306,1041 12.797,1042 6.438,1043 10.368,1044 0.598,1045 12.738,1046 1.722,1047 8.074,1048 10.182,1049 1.53,1050 15.476,1051 7.877,1052 11.814,1053 -0.087,1054 14.569,1055 1.496,1056 8.96,1057 11.408,1059 17.676,1060 8.74,1061 13.28,1062 -0.288,1063 16.418,1064 -0.169,1065 10.233,1066 13.085,1067 1.557,1068 20.199,1069 9.988,1070 3.339,1071 -0.327,1072 18.28,1073 -0.605,1074 11.284,1075 14.5,1077 22.54,1078 11.014,1079 2.963,1080 11.883,1081 20.153,1082 -0.753,1083 12.488,1084 16.102,1085 1.603,1086 25.013,1087 12.192,1088 2.809,1089 9.902,1090 22.034,1091 4.884,1092 13.611,1093 17.604,1095 27.417,1096 13.287,1097 2.216,1098 9.501,1099 23.921,1100 3.967,1101 14.794,1102 19.184,1103 1.663,1104 29.876,1105 14.443,1106 2.035,1107 7.095,1108 25.814,1109 3.879,1110 15.949,1111 20.726,1113 32.311,1114 15.57,1115 1.883,1116 6.318,1117 27.712,1118 3.025,1119 17.13,1120 22.301,1121 1.734,1122 34.77,1123 16.721,1124 1.505,1125 5.244,1126 29.614,1127 2.905,1128 18.301,1129 23.863,1131 37.22,1132 17.863,1133 6867,1134 12194,1135 19.304,1136 29.358,1137 44.37,1138 45.785,1139 46.677,1140 43.997,1141 43.916,1142 61.276,1143 3.837,1144 132.083,1145 41.641,1146 5.642,1147 5.634,1148 6.661,1149 5.348,1150 5.339,1151 7.884,1152 2.117,1153 19.555,1154 5.235,1155 12.522,1156 1.53,1157 1.579,1158 1.61,1159 1.517,1160 1.514,1161 2.113,1162 0.132,1163 4.555,1164 1.436,1165 4.216,1166 4.243,1167 4.223,1168 4.132,1169 7.429,1170 4.143,1171 3.912,1172 3.947,1173 3.867,1174 3.806,1175 5.124,1176 3.816,1177 3.694,1178 3.721,1179 3.806,1180 3.584,1181 4.87,1182 3.593,1183 3.305,1184 3.349,1185 3.407,1186 3.09,1187 4.856,1188 3.114,1189 3.272,1190 3.328,1191 3.202,1192 3.036,1193 4.499,1194 3.053,1195 3.167,1196 3.255,1197 3.078,1198 2.995,1199 4.439,1200 2.984,1201 3.133,1202 3.204,1203 2.954,1204 2.905,1205 3.944,1206 2.913,1207 2.856,1208 2.91,1209 2.875,1210 2.713,1211 3.916,1212 2.704,1213 0.165,1214 0.125,1215 0.241,1216 0.149,1217 0.115,1218 4.798,1219 0.168,1220 3.634,1221 0.036,1222 6.976,1223 0.41,1224 4.308,1225 0.112,1226 3.339,1227 4.884,1228 1.058,1229 11.883,1230 3.235,1231 1.97,1232 1.958,1233 2.014,1234 2.053,1235 1.208,1236 2.042,1237 1.872,1238 1.84,1239 1.971,1240 2.004,1241 1.042,1242 1.994,1243 1.811,1244 1.775,1245 1.886,1246 1.959,1247 0.976,1248 1.947,1249 1.229,1250 1.171,1251 1.573,1252 1.54,1253 0.603,1254 1.547,1255 1.214,1256 1.154,1257 1.552,1258 1.452,1259 0.578,1260 1.47,1261 1.161,1262 1.1,1263 1.302,1264 1.418,1265 0.333,1266 1.406,1267 1.079,1268 1.011,1269 1.275,1270 1.31,1271 0.276,1272 1.314,1273 0.815,1274 0.768,1275 1.003,1276 0.997,1277 0.07,1278 1,1279 4.078,1281 5.425,1282 2.398,1283 6.984,1284 4.844,1285 8.641,1286 7.066,1287 10.349,1289 3.302,1290 6.408,1296 2.923,1297 5.449,1305 28.504,1306 70.346,1307 163.743,1308 193.395,1309 208.15,1310 210.15,1311 210.15,1312 41.403,1313 7.644,1314 79.9,1315 79.9,1316 23,1317 12.77,1318 4.524,1319 3.644,1320 37.718,1321 81,1322 84,1323 0.224,1324 177.68,1325 294.61,1326 425.299,1327 20893,1328 2.4,1329 18.259,1330 0.702,1331 0.573,1332 18.759,1333 14.886,1334 12.597,1335 0.434,1336 0.287,1337 7.855,1338 11.825,1339 7.591,1340 6.302,1341 12.885,1342 8.325,1343 11.359,1344 0.27,1345 0.148,1346 11.73,1347 6.233,1348 10.141,1349 0.169,1350 0.076,1351 10.473,1352 4.58,1353 8.969,1354 0.108,1355 0.04,1356 9.347,1357 3.343,1358 7.134,1359 0.067,1360 0.02,1361 7.419,1362 2.173,1363 0.338,1364 82.218,1365 0.228,1366 24.403,1367 0.661,1368 142,1369 441.63,1370 169.828,1371 457.514,1372 621.89,1373 428,1374 173,1375 440.129,1376 198.778,1377 458.271,1378 675.07,1379 430,1380 5}
{0 CHEMBL610630,1 1.589,2 12.229,3 2.226,4 4.953,5 129.918,6 7.237,7 0.4,8 4.313,9 4.442,10 3.865,11 3.79,12 5.332,13 3.784,14 4.916,15 5.097,16 4.273,17 4.236,18 5.914,19 4.206,20 5.229,21 5.459,22 4.306,23 4.381,24 6.163,25 4.313,26 5.228,27 5.49,28 4.237,29 4.344,30 6.163,31 4.264,32 5.096,33 5.332,34 4.268,35 4.327,36 6.056,37 4.264,38 5.085,39 5.294,40 4.3,41 4.36,42 6.082,43 4.308,44 5.132,45 5.343,46 4.292,47 4.382,48 6.104,49 4.312,50 5.185,51 5.424,52 4.159,53 4.396,54 6.081,55 4.279,56 0.088,57 1.052,58 14.665,59 5.708,60 12.842,61 7.974,62 0.424,63 1.727,64 29.186,65 9.968,66 36.629,67 14.343,68 0.652,69 2.096,70 43.021,71 12.754,72 63.143,73 19.335,74 0.743,75 2.085,76 43.909,77 12.135,78 73.268,79 19.138,80 0.492,81 1.944,82 36.865,83 11.385,84 52.179,85 17.658,86 0.511,87 2.016,88 35.356,89 10.722,90 50.576,91 16.364,92 0.549,93 2.046,94 37.179,95 11.827,96 48.214,97 18.005,98 0.581,99 2.026,100 40.245,101 14.034,102 60.303,103 20.644,104 13,105 58,106 0.251,107 0.597,108 0.749,109 0.801,110 0.82,111 0.82,112 3.589,113 0.938,114 -4.4,115 -4.33,116 -4.08,119 37.9,121 6,124 1,125 2,127 4,142 4,143 2,144 1,145 1,147 1,149 1,159 1,161 1,166 1,172 7,174 3,175 11,178 2,179 1,180 4,183 6,186 2,187 10,192 4,195 4,198 5,199 12,204 3,207 3,211 1,212 12,215 1,217 2,220 6,224 11,227 3,229 1,232 4,236 3,237 13,240 1,242 1,245 8,249 2,250 2,253 4,255 1,258 12,263 4,266 3,268 1,271 12,275 2286,276 24.091,277 24.091,278 24.091,279 24.091,280 24.091,281 22.202,282 29.653,283 13.921,284 24.657,285 19.728,286 19.728,287 19.728,288 19.728,289 19.728,290 16.664,291 36.102,292 6.631,293 20.68,294 4.456,295 2.271,296 1.311,297 0.981,298 0.86,299 0.86,300 4.308,304 1,305 1,306 958,307 3.317,310 155.976,311 388.061,312 103.522,314 140.572,318 1.734,319 35.403,322 1,323 0.5,324 1,325 0.8,326 0.5,327 1,328 1,329 0.83,330 76.5,331 428,332 4.695,333 3.54,334 6.906,335 4.243,336 3.295,337 4.638,338 1.656,339 11.631,340 3.124,341 4.184,342 3.415,343 6.35,344 3.863,345 2.929,346 3.796,347 0.86,348 9.702,349 2.761,350 4.039,351 3.199,352 6.114,353 3.798,354 2.828,355 3.376,356 0.8,357 8.983,358 2.718,359 3.838,360 2.915,361 5.777,362 3.602,363 2.643,364 3.166,365 0.247,366 8.093,367 2.527,368 3.727,369 2.77,370 5.465,371 3.467,372 2.502,373 2.806,375 7.313,376 2.406,377 3.458,378 2.601,379 5.44,380 3.304,381 2.363,382 2.685,384 6.892,385 2.215,386 3.449,387 2.418,388 5.022,389 3.035,390 2.055,391 2.518,393 5.916,394 2.003,395 3.119,396 2.217,397 4.879,398 2.949,399 2,400 2.187,402 5.638,403 1.886,404 2.959,405 2.093,406 4.782,407 2.839,408 1.879,409 2.151,411 5.327,412 1.794,413 2.879,414 1.569,415 4.646,416 2.44,417 1.488,418 1.879,420 4.473,421 1.412,422 2.662,423 1.535,424 4.4,425 2.379,426 1.436,427 1.697,428 4.211,429 1.35,430 2.511,431 1.129,432 4.031,433 2.052,434 1.1,435 1.515,436 3.022,437 1.043,438 2.5,439 1.098,440 3.664,441 2,442 1,443 1.5,445 2.275,446 1,447 2.074,448 1,449 3.414,450 2,451 1,452 1,454 2.275,455 1,456 2,457 1,458 3.414,459 1.725,460 0.775,461 0.955,463 2.077,464 0.732,465 16.3,466 0.466,467 0.862,468 0.025,469 41,470 1.171,471 16.5,472 0.471,473 24.5,474 0.7,475 36.07,476 1.031,477 38.9,478 0.589,479 32.407,480 0.926,481 7.41,482 0.212,483 9.658,484 0.276,485 0.072,487 0.387,493 0.853,494 1.467,495 0.802,496 1.183,497 0.726,498 1.011,499 0.884,500 1.185,501 0.898,502 1.089,503 0.632,504 1.009,505 1.187,506 1.177,507 1.006,508 0.999,509 0.954,510 0.982,511 1.016,512 0.885,513 0.977,514 0.815,515 1.01,516 0.864,517 0.799,518 1.094,519 0.847,520 0.907,521 0.805,522 0.877,523 1.011,524 1.108,525 1.095,526 1.019,527 0.812,528 1.04,529 0.832,530 1.211,531 1.084,532 1.157,533 0.598,534 1.148,535 0.665,536 0.928,537 1.073,538 1.124,539 0.568,540 1.155,541 7.5,542 0.297,543 3.778,544 1.882,545 1.64,546 1.434,547 0.932,548 0.56,549 0.406,550 0.342,551 18126,552 43972,553 2.191,554 47,556 15,558 1,559 3,561 12,564 1.774,565 2.079,566 3.513,567 0.848,573 104.847,574 1.589,575 3.773,576 4.733,577 5.063,578 5.184,579 5.184,580 3.022,581 4.672,582 5.092,583 3.713,584 2209.11,585 8.985,586 33541.2,591 398.93,592 1.313,593 5.074,594 0.188,595 0.008,596 0.065,597 0.032,598 0.03,599 0.025,600 0.016,601 0.01,602 0.008,603 0.008,604 0.39,605 0.17,606 0.75,607 0.89,608 186.808,609 -0.035,610 -0.179,611 0.069,612 -0.048,613 -0.045,614 0.015,615 0.072,616 -0.017,617 0.033,618 -0.041,619 0.078,620 -0.02,621 -0.119,622 -0.158,623 -0.022,624 -0.011,625 -0.041,626 -0.008,627 -0.084,628 0.139,629 0.014,630 0.119,631 -0.071,632 0.09,633 -0.001,634 -0.024,635 0.103,636 0.097,637 -0.03,638 0.117,639 -0.137,640 0.063,641 -0.156,642 -0.026,643 -0.096,644 -0.077,645 0.002,646 -0.08,647 -0.15,648 -0.141,649 -0.009,650 -0.164,651 0.044,652 0.12,653 -0.141,654 -0.091,655 0.039,656 -0.137,657 1.929,658 4.651,659 0.829,660 40.723,661 1.005,662 1.138,663 3.169,664 10.044,665 0.645,666 3.714,667 4.078,668 4.394,669 4.718,670 5.011,671 5.215,672 5.451,673 5.666,674 5.875,675 6.068,676 7.166,677 0.615,678 477.63,679 3.714,680 5.283,681 6.159,682 7.06,683 7.955,684 8.865,685 9.77,686 10.685,687 11.598,688 12.517,689 10.6,695 1,696 2,697 1,699 3,703 2,704 5,705 3,709 4,710 1,711 16,726 1,731 66,733 17,734 1,735 40,737 71,738 25,739 11,740 2,741 4,746 6,747 8,751 1,755 10,758 10,761 12,762 13,766 1,771 1,775 1,781 31,782 9,783 3,784 10,790 7,794 0.667,795 3,797 1,801 1,803 1,806 1,811 2,812 4,813 1,815 1,838 1,839 1,840 4,844 1,848 35,853 1,854 8,855 2,856 1,858 4,859 1,870 4.5,871 1,873 1,874 1,877 16.833,878 11.783,879 7.5,880 4.24,881 3.063,882 1.352,883 0.982,884 6.188,885 11.766,886 3.912,887 4.497,888 5.091,889 5.717,890 6.296,891 6.761,892 7.292,893 7.782,894 8.169,895 8.596,896 1,897 58,898 13.032,900 5.761,901 7.657,902 25.393,904 22.152,905 2.157,906 75.5,910 329.591,911 93.93,912 91.156,914 78.828,917 93.93,918 408.419,919 91.156,920 8.396,921 55.44,922 80.588,923 99.865,924 24.792,925 6.604,926 317.82,928 329.591,929 185.086,930 78.828,933 190.666,934 166.398,935 53.683,937 67.979,938 64.545,939 50.234,941 329.591,942 169.985,943 93.93,946 329.591,947 38.581,948 60.25,949 36.022,950 129.062,951 329.591,952 169.985,953 93.93,955 0.589,956 0.344,957 0.185,958 0.105,959 31,960 13,961 0.056,962 4,963 3,964 1.172,965 4.538,966 360.119,967 0.207,968 28,969 165.525,974 22.865,975 9.472,976 4.54,977 1.789,978 168.208,979 9.459,980 14.784,984 3.11,985 2.034,986 78.705,987 593.505,988 49,993 11.651,997 -0.263,999 66.298,1000 75.099,1001 0.263,1002 0.624,1003 0.783,1004 0.838,1005 0.858,1006 0.858,1007 5.193,1008 2,1009 6.155,1010 5.916,1011 4.762,1012 5.185,1013 2.109,1014 6.993,1015 4.668,1016 6.38,1017 1.879,1018 7.725,1019 5.638,1020 4.369,1021 5.017,1022 1.305,1023 7.908,1024 4.217,1025 7.687,1026 1.488,1027 9.39,1028 5.327,1029 6.385,1030 7.351,1031 2.545,1032 11.031,1033 6.192,1034 9.026,1035 1.436,1036 11.111,1037 4.473,1038 6.804,1039 8.061,1040 2.354,1041 12.789,1042 6.546,1043 10.401,1044 1.1,1045 12.87,1046 4.211,1047 8.282,1048 9.892,1049 3.285,1050 15.438,1051 7.986,1052 11.8,1053 1,1054 14.655,1055 3.022,1056 9.079,1057 11.025,1058 3.414,1059 17.567,1060 8.718,1061 13.22,1062 1,1063 16.462,1064 2.275,1065 10.346,1066 12.663,1067 4.168,1068 20.061,1069 9.945,1070 3.295,1071 0.775,1072 18.285,1073 2.275,1074 11.328,1075 14.004,1076 4.466,1077 22.359,1078 10.863,1079 2.929,1080 11.631,1081 20.122,1082 2.077,1083 12.516,1084 15.568,1085 5.115,1086 24.805,1087 12.005,1088 2.828,1089 9.702,1090 21.97,1091 4.638,1092 13.589,1093 17.008,1094 5.504,1095 27.179,1096 13.017,1097 2.643,1098 8.983,1099 23.829,1100 3.796,1101 14.751,1102 18.545,1103 6.092,1104 29.615,1105 14.13,1106 2.502,1107 8.093,1108 25.696,1109 3.376,1110 15.869,1111 20.032,1112 6.531,1113 32.025,1114 15.191,1115 2.363,1116 7.313,1117 27.571,1118 3.166,1119 17.027,1120 21.561,1121 7.084,1122 34.462,1123 16.297,1124 2.055,1125 6.892,1126 29.452,1127 2.806,1128 18.171,1129 23.071,1130 7.551,1131 36.891,1132 17.384,1133 16721,1134 26170,1135 27.452,1136 42.54,1137 61.136,1138 62.158,1139 62.369,1140 60.689,1141 60.674,1142 73.956,1143 7.126,1144 180.167,1145 57.848,1146 5.695,1147 5.54,1148 6.457,1149 5.35,1150 5.295,1151 7.638,1152 2.912,1153 19.199,1154 5.124,1155 14.506,1156 1.528,1157 1.554,1158 1.559,1159 1.517,1160 1.517,1161 1.849,1162 0.178,1163 4.504,1164 1.446,1165 4.146,1166 4.197,1167 4.12,1168 3.99,1169 7.431,1170 4.014,1171 3.905,1172 3.952,1173 3.845,1174 3.812,1175 6.449,1176 3.815,1177 3.902,1178 3.937,1179 3.801,1180 3.739,1181 5.135,1182 3.744,1183 3.79,1184 3.838,1185 3.679,1186 3.659,1187 4.752,1188 3.659,1189 3.548,1190 3.616,1191 3.469,1192 3.255,1193 4.67,1194 3.299,1195 3.33,1196 3.406,1197 3.252,1198 3.086,1199 4.488,1200 3.114,1201 3.17,1202 3.254,1203 3.053,1204 2.971,1205 4.205,1206 2.98,1207 3.111,1208 3.206,1209 2.928,1210 2.951,1211 4.108,1212 2.926,1213 0.117,1214 0.088,1215 0.173,1216 0.106,1217 0.082,1218 4.695,1219 0.116,1220 3.54,1221 0.041,1222 6.906,1223 0.291,1224 4.243,1225 0.078,1226 3.295,1227 4.638,1228 1.656,1229 11.631,1230 3.124,1231 1.957,1232 1.925,1233 2.08,1234 2.101,1235 1.468,1236 2.087,1237 1.872,1238 1.825,1239 2.021,1240 2.021,1241 1.255,1242 2.027,1243 1.776,1244 1.736,1245 1.898,1246 1.947,1247 1.22,1248 1.936,1249 1.604,1250 1.543,1251 1.86,1252 1.793,1253 1.106,1254 1.798,1255 1.568,1256 1.524,1257 1.715,1258 1.76,1259 0.902,1260 1.77,1261 1.423,1262 1.349,1263 1.684,1264 1.715,1265 0.825,1266 1.707,1267 1.315,1268 1.244,1269 1.513,1270 1.604,1271 0.739,1272 1.569,1273 1.153,1274 1.064,1275 1.489,1276 1.376,1277 0.688,1278 1.429,1279 4.394,1281 5.746,1282 3.045,1283 7.287,1284 5.416,1285 8.914,1286 7.516,1287 10.59,1289 1.586,1294 9.989,1295 7.141,1296 5.341,1297 6.071,1299 0.477,1300 2.331,1305 40.616,1306 104.847,1307 249.014,1308 312.401,1309 334.175,1310 342.175,1311 342.175,1312 59.295,1313 8.703,1314 117.43,1315 117.43,1316 34,1317 13.028,1318 4.17,1319 3.322,1320 46.755,1321 148,1322 186,1323 0.153,1324 242.348,1325 416.45,1326 583.09,1327 72984,1329 23.941,1330 0.684,1331 0.567,1332 23.941,1333 19.853,1334 17.068,1335 0.427,1336 0.313,1337 12.298,1338 16.293,1339 12.109,1340 9.903,1341 17.068,1342 12.5,1343 15.791,1344 0.272,1345 0.169,1346 15.791,1347 9.803,1348 13.817,1349 0.173,1350 0.093,1351 13.817,1352 7.417,1353 11.748,1354 0.106,1355 0.05,1356 11.748,1357 5.535,1358 9.938,1359 0.067,1360 0.027,1361 9.938,1362 4.047,1363 0.237,1364 107.728,1365 0.191,1366 31.799,1367 0.433,1368 196,1369 534.512,1370 219.29,1371 508.849,1372 709.08,1373 480,1374 236,1375 538.643,1376 260.378,1377 536.021,1378 797.37,1379 508,1380 6.055}
{0 CHEMBL611021,1 1.565,2 7.818,3 2.734,4 7.472,5 81.017,6 7.574,7 0.64,8 3.797,9 3.923,10 3.389,11 3.312,12 4.888,13 3.31,14 4.331,15 4.513,16 3.753,17 3.717,18 5.388,19 3.688,20 4.581,21 4.815,22 3.76,23 3.803,24 5.548,25 3.736,26 4.549,27 4.805,28 3.703,29 3.711,30 5.525,31 3.658,32 4.42,33 4.636,34 3.686,35 3.697,36 5.479,37 3.652,38 4.469,39 4.691,40 3.612,41 3.723,42 5.456,43 3.661,44 4.425,45 4.658,46 3.403,47 3.63,48 5.409,49 3.518,50 4.311,51 4.583,52 3.025,53 3.4,54 5.202,55 3.237,56 0.04,57 0.637,58 7.915,59 3.165,60 6.991,61 4.276,62 0.189,63 1.032,64 14.94,65 5.448,66 16.431,67 7.622,68 0.252,69 1.187,70 21.371,71 7.187,72 26.246,73 10.484,74 0.324,75 1.14,76 21.464,77 6.133,78 30.258,79 9.341,80 0.289,81 1.051,82 17.638,83 5.401,84 31.66,85 8.046,86 0.246,87 1.098,88 18.468,89 5.418,90 23.26,91 8.066,92 0.28,93 0.976,94 18.133,95 6.066,96 27.992,97 8.886,98 0.218,99 0.765,100 17.455,101 6.068,102 25.63,103 8.862,104 2,105 35,106 0.277,107 0.644,108 0.775,109 0.837,110 0.837,111 0.837,112 3.148,113 0.908,114 -4.63,115 -4.55,116 -4.28,119 41,121 3,125 2,142 4,143 1,144 1,147 1,149 2,152 1,160 1,172 6,174 3,175 4,178 1,180 2,183 5,187 5,190 3,192 2,195 2,198 3,199 6,204 1,212 7,215 2,217 3,224 6,229 3,232 2,237 4,240 2,242 1,245 5,254 1,255 1,258 4,268 2,271 3,275 568,276 15.292,277 15.292,278 15.292,279 15.292,280 15.292,281 13.474,282 11.835,283 9.15,284 15.67,285 12.397,286 12.397,287 12.397,288 12.397,289 12.397,290 9.636,291 14.484,292 4.385,293 13.05,294 3.72,295 1.65,296 0.911,297 0.564,298 0.564,299 0.564,300 3.85,303 1,304 1,305 1,306 382,307 1.871,310 44.14,311 166.126,314 77.868,318 1.124,319 18.309,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 47.5,331 172,332 4.604,333 3.299,334 6.732,335 4.134,336 3.194,337 4.53,338 0.8,339 11.013,340 3.004,341 4.155,342 2.875,343 6.124,344 3.754,345 2.783,346 3.786,348 9.011,349 2.702,350 3.738,351 2.66,352 5.766,353 3.431,354 2.505,355 3.075,357 7.812,358 2.318,359 3.598,360 2.388,361 5.05,362 3.158,363 2.212,364 2.984,366 6.078,367 2.085,368 3.015,369 1.829,370 4.678,371 2.75,372 1.79,373 2.142,375 4.788,376 1.716,377 2.935,378 1.533,379 4.323,380 2.416,381 1.471,382 2.088,384 4.025,385 1.386,386 2.657,387 1.322,388 3.708,389 2.197,390 1.246,391 1.731,393 2.925,394 1.181,395 2.5,396 1.177,397 3.481,398 2.124,399 1.155,400 1.5,402 2.568,403 1.116,404 2.373,405 1.077,406 3.443,407 1.984,408 1,409 1.358,411 2.34,412 0.983,413 2,414 1,415 3.326,416 1.935,417 1,418 1,420 2.136,421 0.933,422 1.929,423 0.572,424 3.247,425 1.442,426 0.528,427 0.728,428 1.449,429 0.482,430 0.998,431 -0.057,432 2.707,433 0.559,434 -0.381,435 -0.492,436 -0.872,437 -0.353,438 0.909,439 -0.344,440 2.541,441 0.504,442 -0.425,443 -0.523,445 -1.123,446 -0.392,447 0.73,448 -0.583,449 2.182,450 0.337,451 -0.624,452 -0.783,454 -1.682,455 -0.597,456 0.5,457 -0.784,458 2,459 0.03,460 -0.936,461 -1,463 -2.347,464 -0.903,465 10.333,466 0.47,467 0.448,468 0.02,469 30.5,470 1.386,471 15,472 0.682,473 15.5,474 0.705,475 15.764,476 0.717,477 23.267,478 0.597,479 19.457,480 0.884,481 5.668,482 0.258,483 5.141,484 0.234,485 0.032,487 0.329,493 0.984,494 1.449,495 0.774,496 1.076,497 0.893,498 0.924,499 0.755,500 1.096,501 0.855,502 1.027,503 0.524,504 0.963,505 0.833,506 1.113,507 0.857,508 1.025,509 0.767,510 0.961,511 1.02,512 0.942,513 0.869,514 0.799,515 0.848,516 0.796,517 0.991,518 1.102,519 0.957,520 0.909,521 0.799,522 0.913,523 1.268,524 1.058,525 1.226,526 0.997,527 0.968,528 1.061,529 0.882,530 1.049,531 1.226,532 1.195,533 0.866,534 1.244,535 0.796,536 0.873,537 1.088,538 1.151,539 0.933,540 1.164,541 3.5,542 0.012,543 2.222,544 1.063,545 1.088,546 0.719,547 0.344,548 0.202,549 0.122,550 0.041,551 4842,552 11701,553 2.205,554 43.6,555 2,556 8,558 1,559 2,561 4,564 1.651,565 2.129,566 2.995,567 0.348,568 1,569 1,571 1,573 61.034,574 1.565,575 3.636,576 4.375,577 4.721,578 4.721,579 4.721,580 2.431,581 3.971,582 4.433,583 3.097,584 715.357,585 7.647,586 7639.47,587 1,588 1,589 1,590 1,591 206.131,592 1.143,593 4.418,594 0.14,595 0.006,596 0.063,597 0.031,598 0.034,599 0.022,600 0.012,601 0.009,602 0.009,603 0.007,604 0.334,605 0.5,606 1,607 0.405,608 98.781,609 -0.106,610 -0.259,611 0.051,612 -0.044,613 -0.062,614 0.013,615 0.105,616 0.038,617 0.03,618 -0.045,619 0.146,620 -0.027,621 0.077,622 -0.124,623 0.105,624 -0.046,625 0.08,626 0.015,627 -0.008,628 0.065,629 0.13,630 0.118,631 0.013,632 0.143,633 0.002,634 -0.031,635 -0.013,636 0.035,637 0.076,638 0.016,639 -0.311,640 0.037,641 -0.289,642 -0.075,643 -0.208,644 -0.15,645 0.001,646 -0.047,647 -0.28,648 -0.221,649 -0.04,650 -0.277,651 0.064,652 -0.012,653 -0.087,654 -0.141,655 0.03,656 -0.132,657 1.456,658 3.678,659 0.955,660 14.38,661 1.004,662 1.133,663 3.396,664 11.533,665 0.668,666 3.258,667 3.584,668 3.892,669 4.205,670 4.454,671 4.554,672 4.745,673 4.86,674 4.883,675 4.883,676 4.874,677 0.641,678 295.38,679 3.258,680 4.796,681 5.659,682 6.547,683 7.431,684 8.327,685 9.22,686 10.12,687 11.018,688 11.92,689 12.8,695 1,697 1,699 3,703 2,704 5,705 3,706 1,709 4,711 16,726 1,728 1,731 39,733 16,734 1,735 25,737 42,738 16,739 11,740 2,741 4,746 4,747 5,755 3,758 3,761 11,762 5,777 1,778 1,781 17,782 5,783 2,784 6,787 1,790 5,794 0.75,795 1,806 1,811 1,812 3,815 1,840 3,848 22,853 1,854 5,859 1,870 2.6,872 1,877 10.333,878 6.917,879 4.778,880 2.506,881 3.064,882 1.427,883 1.01,884 3.429,885 10.246,886 3.526,887 4.155,888 4.803,889 5.455,890 6.01,891 6.406,892 6.905,893 7.339,894 7.597,895 7.914,896 1,897 34,898 8.121,900 3.507,901 7.636,902 15.745,904 13.258,905 2.136,906 47,910 176.567,911 70.039,912 70.266,914 42.683,917 70.039,918 219.25,919 70.266,921 11.815,922 37.905,923 113.43,924 27.139,925 4.472,926 164.795,928 176.567,929 140.306,930 42.683,933 133.525,934 89.768,937 37.219,938 48.687,939 50.357,941 176.567,942 112.95,943 70.039,946 176.567,947 23.516,948 49.648,949 16.786,950 93.04,951 176.567,952 112.95,953 70.039,955 0.577,956 0.34,957 0.196,958 0.109,959 19,960 7,961 0.048,962 2,963 1,964 1.095,965 3.455,966 183.788,967 0.095,968 21,969 94.107,974 13.527,975 5.577,976 2.56,977 1.541,978 96.164,979 8.659,980 13.538,981 3.148,984 2.502,986 59.469,987 359.556,988 33,999 39.138,1000 44.192,1001 0.296,1002 0.688,1003 0.828,1004 0.893,1005 0.893,1006 0.893,1007 4.754,1008 1.155,1009 5.631,1010 2.925,1011 4.263,1012 4.84,1013 0.673,1014 6.45,1015 4.159,1016 5.953,1017 1,1018 7.185,1019 2.568,1020 3.761,1021 4.62,1022 0.325,1023 7.345,1024 3.588,1025 7.26,1026 1,1027 8.842,1028 2.34,1029 5.849,1030 7.092,1031 0.379,1032 10.491,1033 5.64,1034 8.607,1035 0.528,1036 10.563,1037 2.136,1038 6.217,1039 7.774,1040 0.268,1041 12.255,1042 5.932,1043 9.992,1044 -0.381,1045 12.327,1046 1.449,1047 7.737,1048 9.677,1049 0.239,1050 14.897,1051 7.419,1052 11.403,1053 -0.425,1054 14.119,1055 -0.872,1056 8.511,1057 10.784,1058 0.188,1059 17.014,1060 8.12,1061 12.834,1062 -0.624,1063 15.932,1064 -1.123,1065 9.797,1066 12.45,1067 0.156,1068 19.486,1069 9.367,1070 3.194,1071 -0.936,1072 17.76,1073 -1.682,1074 10.767,1075 13.764,1076 0.125,1077 21.754,1078 10.265,1079 2.783,1080 11.013,1081 19.6,1082 -2.347,1083 11.959,1084 15.331,1085 0.102,1086 24.168,1087 11.41,1088 2.505,1089 9.011,1090 21.45,1091 4.53,1092 13.021,1093 16.743,1094 0.082,1095 26.503,1096 12.404,1097 2.212,1098 7.812,1099 23.306,1100 3.786,1101 14.178,1102 18.27,1103 0.066,1104 28.899,1105 13.508,1106 1.79,1107 6.078,1108 25.169,1109 3.075,1110 15.284,1111 19.731,1112 0.054,1113 31.265,1114 14.548,1115 1.471,1116 4.788,1117 27.037,1118 2.984,1119 16.432,1120 21.242,1121 0.043,1122 33.657,1123 15.638,1124 1.246,1125 4.025,1126 28.909,1127 2.142,1128 17.56,1129 22.726,1130 0.035,1131 36.038,1132 16.702,1133 4548,1134 7218,1135 17.394,1136 26.051,1137 37.966,1138 37.653,1139 38.154,1140 37.794,1141 37.768,1142 49.844,1143 1.6,1144 108.29,1145 35.812,1146 5.604,1147 5.299,1148 6.534,1149 5.214,1150 5.194,1151 7.53,1152 1.2,1153 18.223,1154 5.004,1155 5.832,1156 1.519,1157 1.506,1158 1.526,1159 1.512,1160 1.511,1161 1.994,1162 0.064,1163 4.332,1164 1.432,1165 4.105,1166 4.158,1167 4.081,1168 3.943,1169 6.471,1170 3.969,1171 3.864,1172 3.894,1173 3.807,1174 3.768,1175 5.177,1176 3.776,1177 3.784,1178 3.853,1179 3.65,1180 3.627,1181 4.674,1182 3.623,1183 3.28,1184 3.351,1185 3.223,1186 3.057,1187 4.435,1188 3.09,1189 3.111,1190 3.206,1191 2.938,1192 2.941,1193 4.261,1194 2.91,1195 3.049,1196 3.131,1197 2.866,1198 2.84,1199 3.938,1200 2.853,1201 2.928,1202 2.969,1203 2.798,1204 2.746,1205 3.57,1206 2.748,1207 2.698,1208 2.769,1209 2.56,1210 2.524,1211 3.474,1212 2.523,1213 0.184,1214 0.132,1215 0.269,1216 0.165,1217 0.128,1218 4.604,1219 0.181,1220 3.299,1221 0.032,1222 6.732,1223 0.441,1224 4.134,1225 0.12,1226 3.194,1227 4.53,1228 0.8,1229 11.013,1230 3.004,1231 1.939,1232 1.909,1233 2.059,1234 2.088,1235 1.4,1236 2.075,1237 1.829,1238 1.778,1239 1.996,1240 1.971,1241 1.085,1242 1.983,1243 1.656,1244 1.608,1245 1.743,1246 1.826,1247 0.864,1248 1.814,1249 1.331,1250 1.246,1251 1.513,1252 1.638,1253 0.825,1254 1.599,1255 1.153,1256 1.064,1257 1.479,1258 1.376,1259 0.545,1260 1.429,1261 0.98,1262 0.917,1263 1.303,1264 1.261,1265 0.369,1266 1.28,1267 0.943,1268 0.871,1269 1.146,1270 1.157,1271 0.21,1272 1.134,1273 0.883,1274 0.838,1275 1.095,1276 1.091,1277 0.126,1278 1.103,1279 3.932,1281 5.252,1282 2.398,1283 6.779,1284 4.595,1285 8.4,1286 6.605,1287 10.072,1294 9.678,1295 5.643,1300 2.29,1305 24.983,1306 61.034,1307 141.792,1308 170.621,1309 184.131,1310 184.131,1311 184.131,1312 26.314,1313 7.182,1314 77.93,1315 77.93,1316 23,1317 12.442,1318 4.087,1319 3.17,1320 29.659,1321 65,1322 58,1323 0.232,1324 152.15,1325 248.53,1326 363.007,1327 11480,1329 14.941,1330 0.679,1331 0.553,1332 14.941,1333 12.158,1334 10.81,1335 0.432,1336 0.303,1337 7.458,1338 10.392,1339 7.355,1340 6.074,1341 10.81,1342 7.566,1343 9.68,1344 0.277,1345 0.159,1346 9.68,1347 5.57,1348 8.347,1349 0.174,1350 0.084,1351 8.347,1352 4.026,1353 7.33,1354 0.111,1355 0.044,1356 7.33,1357 2.927,1358 5.998,1359 0.071,1360 0.024,1361 5.998,1362 2.036,1363 0.348,1364 67.735,1365 0.24,1366 21.181,1367 0.687,1368 120,1369 327.063,1370 132.289,1371 320.905,1372 452.04,1373 302,1374 143,1375 348.918,1376 156.429,1377 352.197,1378 521.27,1379 333,1380 5.424}
{0 CHEMBL611630,1 1.597,2 8.625,3 1.929,4 3.72,5 88.785,6 8.01,7 0.714,8 3.852,9 3.974,10 3.503,11 3.362,12 4.938,13 3.38,14 4.396,15 4.562,16 3.875,17 3.773,18 5.456,19 3.774,20 4.57,21 4.781,22 3.851,23 3.849,24 5.564,25 3.806,26 4.526,27 4.749,28 3.779,29 3.8,30 5.496,31 3.745,32 4.5,33 4.733,34 3.746,35 3.747,36 5.473,37 3.702,38 4.46,39 4.66,40 3.74,41 3.733,42 5.496,43 3.701,44 4.473,45 4.707,46 3.548,47 3.669,48 5.426,49 3.584,50 4.333,51 4.592,52 3.285,53 3.471,54 5.167,55 3.358,56 0.053,57 0.683,58 7.349,59 3.069,60 5.599,61 3.907,62 0.303,63 1.099,64 14.959,65 5.286,66 18.263,67 6.712,68 0.377,69 1.231,70 19.659,71 6.689,72 24.861,73 9.165,74 0.268,75 1.197,76 18.635,77 6.397,78 21.897,79 9.096,80 0.345,81 1.141,82 18.884,83 5.878,84 25.358,85 8.438,86 0.285,87 1.129,88 16.541,89 5.134,90 22.841,91 7.075,92 0.382,93 1.04,94 18.565,95 6.131,96 27.545,97 8.588,98 0.227,99 0.848,100 17.434,101 6.108,102 20.339,103 8.723,105 40,106 0.278,107 0.663,108 0.794,109 0.838,110 0.838,111 0.838,112 3.23,113 0.857,114 -3.76,115 -3.73,116 -3.54,119 42.5,125 4,142 4,143 2,146 1,147 1,149 1,151 1,152 1,160 1,161 1,172 5,174 2,175 2,178 2,180 3,183 5,186 4,187 4,192 2,195 4,198 1,199 3,202 2,204 2,207 1,211 1,212 5,215 2,217 2,223 1,224 5,229 1,236 1,237 3,240 2,241 1,242 1,250 4,253 1,255 1,263 2,275 736,276 16.947,277 16.947,278 16.947,279 16.947,280 16.947,281 14.768,282 10.455,283 10.023,284 17.507,285 13.885,286 13.885,287 13.885,288 13.885,289 13.885,290 10.537,291 14.862,292 4.79,293 14.778,294 3.725,295 1.507,296 0.75,297 0.5,298 0.5,299 0.5,300 3.949,303 1,304 1,305 1,306 476,307 2,310 95.567,311 163.238,314 163.964,318 1.24,319 17.306,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 52,331 207,332 4.611,333 3.306,334 6.732,335 4.141,336 3.198,337 4.54,338 0.86,339 11.016,340 3.023,341 4.427,342 2.979,343 6.272,344 3.934,345 2.956,346 4.362,347 0.8,348 9.507,349 2.882,350 3.937,351 2.747,352 5.974,353 3.539,354 2.584,355 3.465,357 8.479,358 2.479,359 3.737,360 2.528,361 5.763,362 3.408,363 2.48,364 3.044,366 7.795,367 2.288,368 3.053,369 2.233,370 4.681,371 2.695,372 1.792,373 2.328,375 4.79,376 1.614,377 3.033,378 1.562,379 4.504,380 2.509,381 1.552,382 2.299,384 4.498,385 1.494,386 3.015,387 1.547,388 4.325,389 2.497,390 1.533,391 2.099,393 4.104,394 1.463,395 2.613,396 1.533,397 3.722,398 2.12,399 1.243,400 1.667,402 2.935,403 1.089,404 2.5,405 1.256,406 3.466,407 2.044,408 1.109,409 1.5,411 2.473,412 1.03,413 2.376,414 1.118,415 3.428,416 1.952,417 1,418 1.362,420 2.309,421 0.946,422 2,423 1,424 3.331,425 1.939,426 1,427 1,428 2.136,429 0.936,430 1.97,431 0.621,432 3.247,433 1.479,434 0.561,435 0.776,436 1.507,437 0.512,438 1.864,439 0.391,440 3.028,441 1.338,442 0.384,443 0.567,445 0.963,446 0.367,447 0.974,448 -0.296,449 2.709,450 0.514,451 -0.408,452 -0.513,454 -1.111,455 -0.374,456 0.794,457 -0.36,458 2.595,459 0.377,460 -0.585,461 -0.758,463 -1.561,464 -0.562,465 11.233,466 0.468,467 0.462,468 0.019,469 34.25,470 1.427,471 16.5,472 0.688,473 17.75,474 0.74,475 16.433,476 0.685,477 24.767,478 0.619,479 22.596,480 0.941,481 6.748,482 0.281,483 5.135,484 0.214,487 0.347,493 0.98,494 1.467,495 0.702,496 1.081,497 0.822,498 0.879,499 1.272,500 1.008,501 0.904,502 0.864,503 1.033,504 0.839,505 1.004,506 1.026,507 0.952,508 0.939,509 0.888,510 0.945,511 0.75,512 1.115,513 0.934,514 1.046,515 0.99,516 1.017,517 0.908,518 0.941,519 0.925,520 0.847,521 1.081,522 0.865,523 1.226,524 1.231,525 1.184,526 1.105,527 1.247,528 1.112,529 0.936,530 0.866,531 1.16,532 1.059,533 1.124,534 1.125,535 0.833,536 1.002,537 0.949,538 1.097,539 0.749,540 1.064,541 3.5,542 0.019,543 2.667,544 1.069,545 1.154,546 0.75,547 0.37,548 0.207,549 0.181,550 0.051,551 6684,552 16688,553 2.289,554 40,556 12,557 1,558 1,559 2,564 1.674,565 2.25,566 3.12,567 0.337,568 1,569 1,571 1,573 63.88,574 1.597,575 3.815,576 4.572,577 4.822,578 4.822,579 4.822,580 2.507,581 4.054,582 4.559,583 3.234,584 892.622,585 7.89,586 10099.1,587 1,588 1,590 1,591 212.877,592 0.918,593 4.557,594 0.125,595 0.003,596 0.067,597 0.028,598 0.033,599 0.022,600 0.011,601 0.008,602 0.009,603 0.004,604 0.31,605 0.5,606 0.88,608 111.639,609 -0.099,610 -0.304,611 0.073,612 -0.106,613 -0.028,614 -0.004,615 -0.095,616 0.091,617 -0.021,618 0.081,619 -0.036,620 0.04,621 0.005,622 -0.013,623 -0.006,624 0.027,625 0.086,626 0.003,627 0.027,628 -0.091,630 -0.085,631 -0.049,632 -0.055,634 0.082,635 0.041,636 0.094,637 -0.048,638 0.083,639 -0.21,640 -0.145,641 -0.274,642 -0.195,643 -0.199,644 -0.227,645 0.05,646 0.113,647 -0.181,648 -0.096,649 -0.119,650 -0.158,651 0.047,652 -0.142,653 0.086,654 -0.067,655 0.103,656 -0.002,657 0.968,658 1.952,659 1,660 16.861,661 1.009,662 1.132,663 2.535,664 6.424,665 0.682,666 3.367,667 3.714,668 4.06,669 4.382,670 4.615,671 4.762,672 4.97,673 5.13,674 5.198,675 5.328,676 5.267,677 0.662,678 320.39,679 3.367,680 4.92,681 5.802,682 6.698,683 7.595,684 8.498,685 9.401,686 10.306,687 11.212,688 12.119,689 15,695 1,697 2,699 3,703 4,704 6,705 3,706 2,709 3,711 20,726 1,731 40,733 20,734 1,735 28,737 44,738 17,739 13,740 3,741 3,746 5,747 7,761 13,762 4,777 1,778 1,781 16,782 5,783 2,784 7,787 1,790 6,794 0.6,795 1,806 1,807 1,811 2,812 3,815 2,839 1,840 3,848 24,854 4,856 1,859 1,870 2.5,874 1,877 10.667,878 7.217,879 5.139,880 2.414,881 3.991,882 1.515,883 1.085,884 3.247,885 11.736,886 3.664,887 4.337,888 5.04,889 5.717,890 6.258,891 6.73,892 7.261,893 7.76,894 8.08,895 8.584,896 0.833,897 38,898 8.843,900 3.856,901 7.549,902 17.169,904 14.566,905 2.049,906 49.167,910 164.795,911 85.385,912 87.052,914 11,917 85.385,918 175.795,919 87.052,921 13.396,922 46.952,923 83.461,924 46.926,925 16.243,926 141.253,928 164.795,929 172.437,930 11,933 167.123,935 11,937 59.445,938 60.307,939 50.357,941 164.795,942 98.052,943 85.385,946 164.795,947 29.814,948 58.695,949 33.571,950 61.356,951 164.795,952 98.052,953 85.385,955 0.582,956 0.352,957 0.202,958 0.106,959 23,960 8,961 0.045,962 2,963 2,964 1.167,965 3.708,966 214.551,967 0.167,968 24,969 104.039,974 13.96,975 5.582,976 2.389,977 3.818,978 64.481,979 11.869,980 13.873,981 6.351,984 2.548,986 33.571,987 348.232,988 38,999 40.356,1000 45.275,1001 0.3,1002 0.717,1003 0.859,1004 0.906,1005 0.906,1006 0.906,1007 4.898,1008 1.243,1009 5.778,1010 4.104,1011 4.394,1012 5.024,1013 1.235,1014 6.616,1015 4.281,1016 6.113,1017 1.109,1018 7.343,1019 2.935,1020 3.892,1021 4.856,1022 0.325,1023 7.535,1024 3.755,1025 7.433,1026 1,1027 9.011,1028 2.473,1029 6.004,1030 7.343,1031 0.938,1032 10.678,1033 5.797,1034 8.796,1035 1,1036 10.742,1037 2.309,1038 6.399,1039 8.101,1040 0.268,1041 12.452,1042 6.167,1043 10.197,1044 0.561,1045 12.513,1046 2.136,1047 7.915,1048 9.991,1049 0.732,1050 15.08,1051 7.624,1052 11.624,1053 0.384,1054 14.311,1055 1.507,1056 8.712,1057 11.158,1058 0.188,1059 17.19,1060 8.387,1061 13.07,1062 -0.408,1063 16.127,1064 0.963,1065 9.993,1066 12.815,1067 0.57,1068 19.647,1069 9.615,1070 3.198,1071 -0.585,1072 17.957,1073 -1.111,1074 10.974,1075 14.164,1076 0.125,1077 21.902,1078 10.554,1079 2.956,1080 11.016,1081 19.797,1082 -1.561,1083 12.161,1084 15.726,1085 0.438,1086 24.302,1087 11.691,1088 2.584,1089 9.507,1090 21.644,1091 4.54,1092 13.226,1093 17.157,1094 0.082,1095 26.623,1096 12.709,1097 2.48,1098 8.479,1099 23.497,1100 4.362,1101 14.379,1102 18.68,1103 0.334,1104 29.007,1105 13.812,1106 1.792,1107 7.795,1108 25.355,1109 3.465,1110 15.483,1111 20.148,1112 0.054,1113 31.361,1114 14.867,1115 1.552,1116 4.79,1117 27.218,1118 3.044,1119 16.626,1120 21.656,1121 0.252,1122 33.743,1123 15.958,1124 1.533,1125 4.498,1126 29.085,1127 2.328,1128 17.75,1129 23.141,1130 0.035,1131 36.114,1132 17.03,1133 6019,1134 9639,1135 19.879,1136 27.296,1137 42.988,1138 42.932,1139 42.66,1140 42.77,1141 42.781,1142 58.017,1143 3.32,1144 125.021,1145 40.244,1146 5.611,1147 5.306,1148 6.534,1149 5.244,1150 5.198,1151 7.54,1152 1.72,1153 18.226,1154 5.023,1156 1.535,1157 1.533,1158 1.524,1159 1.527,1160 1.528,1161 2.072,1162 0.119,1163 4.465,1164 1.437,1165 4.152,1166 4.194,1167 4.121,1168 4.048,1169 5.183,1170 4.058,1171 4.028,1172 4.079,1173 3.995,1174 3.855,1175 4.964,1176 3.889,1177 3.729,1178 3.789,1179 3.612,1180 3.497,1181 4.628,1182 3.515,1183 3.469,1184 3.524,1185 3.408,1186 3.332,1187 4.537,1188 3.343,1189 3.159,1190 3.231,1191 3.073,1192 2.941,1193 4.184,1194 2.955,1195 3.111,1196 3.206,1197 2.866,1198 2.929,1199 4.026,1200 2.91,1201 2.956,1202 3.017,1203 2.858,1204 2.792,1205 3.73,1206 2.798,1207 2.803,1208 2.875,1209 2.706,1210 2.556,1211 3.587,1212 2.588,1213 0.165,1214 0.118,1215 0.24,1216 0.148,1217 0.114,1218 4.611,1219 0.162,1220 3.306,1221 0.031,1222 6.732,1223 0.393,1224 4.141,1225 0.108,1226 3.198,1227 4.54,1228 0.86,1229 11.016,1230 3.023,1231 1.97,1232 1.945,1233 2.038,1234 2.089,1235 1.217,1236 2.07,1237 1.79,1238 1.746,1239 1.932,1240 1.968,1241 1.163,1242 1.962,1243 1.592,1244 1.539,1245 1.713,1246 1.822,1247 0.825,1248 1.796,1249 1.48,1250 1.418,1251 1.652,1252 1.696,1253 0.811,1254 1.692,1255 1.334,1256 1.249,1257 1.513,1258 1.633,1259 0.656,1260 1.599,1261 1.153,1262 1.064,1263 1.491,1264 1.376,1265 0.409,1266 1.429,1267 1.053,1268 1.012,1269 1.191,1270 1.198,1271 0.316,1272 1.198,1273 0.798,1274 0.735,1275 1.069,1276 1.082,1277 0.205,1278 1.069,1279 4.043,1281 5.38,1282 3.045,1283 6.919,1284 5.283,1285 8.55,1286 7.286,1287 10.233,1295 3.043,1297 5.452,1300 2.213,1305 26.477,1306 63.88,1307 152.612,1308 182.877,1309 192.877,1310 192.877,1311 192.877,1312 24.148,1313 7.745,1314 82.72,1315 82.72,1316 28,1317 12.636,1318 4.392,1319 3.459,1320 30.167,1321 76,1322 69,1323 0.197,1324 158.216,1325 250.93,1326 377.807,1327 24052,1329 15.933,1330 0.664,1331 0.541,1332 15.933,1333 12.99,1334 11.882,1335 0.424,1336 0.286,1337 7.847,1338 11.321,1339 7.752,1340 6.333,1341 11.882,1342 7.997,1343 10.672,1344 0.267,1345 0.146,1346 10.672,1347 5.85,1348 9.7,1349 0.17,1350 0.077,1351 9.7,1352 4.384,1353 8.588,1354 0.109,1355 0.04,1356 8.588,1357 3.132,1358 6.865,1359 0.069,1360 0.021,1361 6.865,1362 2.054,1363 0.299,1364 75.047,1365 0.224,1366 22.958,1367 0.571,1368 136,1369 380.982,1370 150.785,1371 367.906,1372 523.73,1373 350,1374 165,1375 403.496,1376 181.368,1377 406.517,1378 605.81,1379 385,1380 5.633}
{0 CHEMBL91829,1 1.502,2 9.743,3 3.479,4 12.106,5 135.851,6 7.438,7 0.5,8 4.257,9 4.372,10 3.84,11 3.811,12 5.311,13 3.796,14 4.831,15 5.002,16 4.238,17 4.25,18 5.851,19 4.221,20 5.087,21 5.269,22 4.344,23 4.446,24 6.081,25 4.384,26 5.26,27 5.47,28 4.46,29 4.561,30 6.273,31 4.488,32 5.371,33 5.576,34 4.55,35 4.626,36 6.383,37 4.562,38 5.455,39 5.667,40 4.625,41 4.699,42 6.486,43 4.634,44 5.519,45 5.746,46 4.566,47 4.705,48 6.531,49 4.625,50 5.405,51 5.634,52 4.318,53 4.565,54 6.422,55 4.453,56 0.01,57 0.931,58 12.794,59 5.704,60 8.109,61 7.426,62 0.33,63 1.576,64 25.693,65 9.495,66 27.812,67 12.684,68 0.384,69 1.917,70 34.175,71 13.551,72 35.095,73 17.839,74 0.389,75 2.258,76 41.743,77 16.368,78 66.1,79 22.422,80 0.571,81 2.511,82 47.271,83 17.453,84 57.707,85 23.328,86 0.503,87 2.715,88 51.617,89 19.102,90 69.583,91 25.88,92 0.628,93 2.852,94 56.723,95 19.81,96 93.764,97 26.839,98 0.758,99 2.485,100 51.171,101 18.086,102 105.793,103 24.444,104 19,105 59,106 0.237,107 0.569,108 0.715,109 0.784,110 0.804,111 0.824,112 3.59,113 0.903,114 -3.48,115 -3.46,116 -3.31,119 44.4,121 1,124 2,125 4,127 1,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 10,178 2,180 2,183 14,186 2,187 11,192 2,195 13,198 2,199 8,204 2,207 13,211 3,212 10,215 2,217 2,220 12,223 3,224 14,229 4,232 10,236 1,237 16,242 3,245 10,249 1,250 14,253 1,258 8,262 1,263 6,271 7,275 1438,276 23.93,277 23.93,278 23.93,279 23.93,280 23.93,281 21.264,282 21.829,283 13.939,284 24.38,285 19.802,286 19.802,287 19.802,288 19.802,289 19.802,290 15.494,291 21.51,292 6.631,293 20.498,294 4.476,295 2.372,296 1.445,297 1.008,298 0.881,299 0.754,300 4.308,305 1,306 765,307 3.24,310 112.181,311 97.343,314 139.797,318 0.993,319 32.204,322 1,323 0.67,324 1,325 0.8,326 0.5,327 1,328 1,329 0.85,330 75,331 341,332 4.825,333 3.839,334 7.187,335 4.422,336 3.429,337 4.714,338 1.2,339 12.66,340 3.405,341 4.638,342 3.32,343 6.82,344 4.167,345 3.194,346 4.601,347 0.86,348 11.317,349 3.111,350 4.357,351 3.219,352 6.535,353 3.918,354 2.943,355 3.942,356 0.8,357 10.243,358 2.866,359 3.609,360 3.152,361 5.878,362 3.505,363 2.574,364 2.917,365 0.8,366 7.843,367 2.39,368 3.581,369 2.943,370 5.489,371 3.252,372 2.266,373 2.806,375 7.262,376 2.234,377 3.433,378 2.483,379 5.399,380 3.058,381 2.106,382 2.723,384 6.615,385 2.004,386 3.384,387 2.375,388 5.217,389 2.97,390 1.996,391 2.63,393 5.936,394 1.928,395 3.325,396 2.249,397 4.956,398 2.907,399 1.939,400 2.54,402 5.465,403 1.876,404 3.149,405 2.037,406 4.751,407 2.783,408 1.857,409 2.307,411 4.662,412 1.704,413 2.937,414 1.923,415 4.436,416 2.678,417 1.648,418 1.952,420 4.576,421 1.685,422 2.843,423 1.502,424 4.379,425 2.327,426 1.331,427 1.913,428 3.638,429 1.323,430 2.705,431 1.451,432 3.808,433 2.28,434 1.309,435 1.789,436 2.941,437 1.266,438 2.628,439 1.236,440 3.628,441 2.158,442 1.176,443 1.649,445 2.814,446 1.152,447 2.452,448 1.206,449 3.594,450 2.088,451 1.112,452 1.427,454 2.709,455 1.079,456 2.206,457 1.005,458 3.574,459 1.812,460 0.846,461 1.071,463 2.137,464 0.812,465 16.6,466 0.474,467 0.922,468 0.026,469 44.25,470 1.264,471 20.5,472 0.586,473 23.75,474 0.679,475 34.267,476 0.979,477 36.8,478 0.584,479 39.403,480 1.126,481 8.837,482 0.252,483 8.171,484 0.233,485 0.1,487 0.404,493 0.746,494 1.368,495 0.757,496 1.083,497 0.542,498 0.943,499 1.038,500 0.92,501 0.874,502 0.786,503 0.566,504 0.786,505 1.05,506 0.999,507 0.972,508 0.978,509 0.874,510 0.969,511 0.729,512 1.045,513 0.826,514 0.996,515 0.521,516 0.935,517 1.102,518 1,519 0.96,520 0.992,521 0.904,522 0.962,523 1.02,524 1.051,525 0.902,526 1.007,527 1.006,528 0.947,529 1.269,530 0.981,531 1.035,532 0.956,533 1.261,534 0.956,535 1.267,536 0.996,537 1.184,538 1.027,539 1.448,540 1.085,541 6,542 0.186,543 3.778,544 3.847,545 1.994,546 1.779,547 1.447,548 0.889,549 0.611,550 0.34,551 15429,552 36566,553 2.173,554 44.4,556 23,557 2,559 1,562 2,564 1.78,565 2.039,566 3.221,567 -0.401,573 94.602,574 1.502,575 3.605,576 4.533,577 4.969,578 5.096,579 5.223,580 2.119,581 4.844,582 5.11,583 3.324,584 1977.84,585 9.037,586 28638.5,591 376.569,592 1.392,593 5.065,594 0.15,595 0.01,596 0.064,597 0.06,598 0.028,599 0.023,600 0.018,601 0.012,602 0.011,603 0.009,604 0.384,605 0.5,606 0.75,607 0.797,608 181.497,609 -0.016,610 -0.211,611 0.075,612 -0.066,613 -0.029,614 0.003,615 -0.045,616 0.209,617 0.047,618 0.18,619 0.042,620 0.142,621 -0.039,622 0.029,623 -0.035,624 0.026,625 -0.046,627 0.115,628 -0.045,629 0.123,630 0.008,631 0.198,632 0.059,633 0.013,634 0.016,635 0.019,636 -0.016,637 0.022,638 -0.003,639 0.026,640 -0.047,641 0.076,642 -0.027,643 0.04,644 0.024,645 -0.127,646 0.016,647 -0.031,648 0.007,649 -0.064,650 0.006,651 -0.104,652 -0.025,653 -0.175,654 -0.055,655 -0.136,656 -0.115,657 2.015,658 6.201,659 0.829,660 24.898,661 1,662 1.121,663 2.253,664 5.077,665 0.675,666 3.714,667 4.094,668 4.454,669 4.844,670 5.112,671 5.328,672 5.591,673 5.805,674 5.953,675 6.12,676 5.908,677 0.644,678 468.6,679 3.714,680 5.293,681 6.188,682 7.114,683 8.033,684 8.969,685 9.899,686 10.84,687 11.777,688 12.721,689 6.3,692 1,696 1,697 2,703 4,704 10,709 2,710 2,711 20,731 63,733 23,734 2,735 40,737 68,738 28,739 16,740 4,741 8,742 4,746 6,747 25,755 2,758 2,761 20,762 8,766 3,771 2,775 4,781 28,782 5,783 1,784 7,790 4,792 1,794 0.167,795 3,807 2,811 3,812 2,815 2,832 2,836 1,839 1,840 1,844 2,848 35,854 5,855 1,856 1,858 1,859 1,870 4.8,873 2,874 1,877 17.167,878 12.017,879 7.472,880 3.843,881 4.447,882 1.472,883 1.04,884 5.602,885 13.864,886 3.989,887 4.649,888 5.346,889 6.052,890 6.633,891 7.101,892 7.643,893 8.131,894 8.461,895 8.906,896 0.5,897 64,898 13.061,900 5.798,901 7.657,902 25.224,904 21.726,905 2.157,906 75.5,910 317.82,911 155.727,912 24.933,914 61.29,917 155.727,918 379.109,919 24.933,920 16.793,921 31.455,922 93.905,923 70.699,924 24.811,925 27.83,926 294.278,928 317.82,929 180.661,930 61.29,933 294.278,934 73.832,935 11,937 38.377,938 142.283,941 317.82,942 86.223,943 155.727,946 317.82,947 45.03,948 117.62,949 18.011,950 61.29,951 317.82,952 86.223,953 155.727,955 0.589,956 0.351,957 0.212,958 0.119,959 32,960 14,961 0.029,962 2,963 7,964 1.414,965 4.226,966 384.711,967 0.483,968 27,969 177.525,974 22.293,975 8.795,976 3.823,977 3.982,978 82.425,979 20.119,984 1.565,985 4.319,986 18.011,987 559.77,988 53,993 26.371,997 0.201,999 62.992,1000 70.604,1001 0.251,1002 0.603,1003 0.758,1004 0.831,1005 0.853,1006 0.874,1007 5.263,1008 1.939,1009 6.196,1010 5.936,1011 4.779,1012 5.338,1013 2.028,1014 7.093,1015 4.72,1016 6.495,1017 1.857,1018 7.8,1019 5.465,1020 4.443,1021 5.278,1022 0.325,1023 8.146,1024 4.365,1025 7.833,1026 1.648,1027 9.508,1028 4.662,1029 6.441,1030 7.644,1031 2.018,1032 11.336,1033 6.336,1034 9.214,1035 1.331,1036 11.278,1037 4.576,1038 6.957,1039 8.481,1040 0.268,1041 13.272,1042 6.845,1043 10.634,1044 1.309,1045 13.091,1046 3.638,1047 8.435,1048 10.329,1049 2.149,1050 15.986,1051 8.302,1052 12.084,1053 1.176,1054 14.933,1055 2.941,1056 9.341,1057 11.569,1058 0.188,1059 18.269,1060 9.205,1061 13.557,1062 1.112,1063 16.797,1064 2.814,1065 10.629,1066 13.22,1067 2.37,1068 20.836,1069 10.478,1070 3.429,1071 0.846,1072 18.678,1073 2.709,1074 11.706,1075 14.633,1076 0.125,1077 23.254,1078 11.553,1079 3.194,1080 12.66,1081 20.572,1082 2.137,1083 12.929,1084 16.21,1085 2.65,1086 25.777,1087 12.765,1088 2.943,1089 11.317,1090 22.477,1091 4.714,1092 14.078,1093 17.694,1094 0.082,1095 28.249,1096 13.911,1097 2.574,1098 10.243,1099 24.391,1100 4.601,1101 15.283,1102 19.243,1103 2.964,1104 30.762,1105 15.108,1106 2.266,1107 7.843,1108 26.311,1109 3.942,1110 16.464,1111 20.757,1112 0.054,1113 33.259,1114 16.284,1115 2.106,1116 7.262,1117 28.237,1118 2.917,1119 17.666,1120 22.298,1121 3.298,1122 35.772,1123 17.48,1124 1.996,1125 6.615,1126 30.167,1127 2.806,1128 18.862,1129 23.825,1130 0.035,1131 38.282,1132 18.671,1133 14253,1134 22158,1135 27.164,1136 42.523,1137 62.398,1138 63.666,1139 63.769,1140 61.687,1141 61.664,1142 80.784,1143 7.32,1144 187.307,1145 59.814,1146 5.762,1147 5.839,1148 6.866,1149 5.512,1150 5.429,1151 7.714,1152 2.4,1153 20.497,1154 5.405,1155 15.604,1156 1.56,1157 1.592,1158 1.594,1159 1.542,1160 1.542,1161 2.02,1162 0.183,1163 4.683,1164 1.495,1165 4.209,1166 4.237,1167 4.179,1168 4.127,1169 7.45,1170 4.136,1171 4.097,1172 4.131,1173 4.061,1174 4.013,1175 7.408,1176 4.021,1177 3.788,1178 3.831,1179 3.745,1180 3.632,1181 4.957,1182 3.653,1183 3.741,1184 3.777,1185 3.632,1186 3.577,1187 4.886,1188 3.581,1189 3.522,1190 3.596,1191 3.391,1192 3.355,1193 4.584,1194 3.356,1195 3.493,1196 3.561,1197 3.361,1198 3.297,1199 4.328,1200 3.304,1201 3.311,1202 3.37,1203 3.191,1204 3.119,1205 4.278,1206 3.125,1207 3.202,1208 3.257,1209 3.068,1210 3.075,1211 4.232,1212 3.068,1213 0.121,1214 0.096,1215 0.18,1216 0.111,1217 0.086,1218 4.825,1219 0.118,1220 3.839,1221 0.03,1222 7.187,1223 0.317,1224 4.422,1225 0.085,1226 3.429,1227 4.714,1228 1.2,1229 12.66,1230 3.405,1231 1.964,1232 1.946,1233 2.05,1234 2.05,1235 1.309,1236 2.051,1237 1.931,1238 1.905,1239 2.027,1240 2.024,1241 1.204,1242 2.026,1243 1.787,1244 1.746,1245 1.959,1246 1.957,1247 1.173,1248 1.961,1249 1.661,1250 1.615,1251 1.823,1252 1.842,1253 1.052,1254 1.841,1255 1.581,1256 1.527,1257 1.775,1258 1.78,1259 0.969,1260 1.781,1261 1.451,1262 1.376,1263 1.674,1264 1.661,1265 0.837,1266 1.667,1267 1.299,1268 1.262,1269 1.467,1270 1.61,1271 0.647,1272 1.546,1273 1.187,1274 1.128,1275 1.417,1276 1.41,1277 0.552,1278 1.416,1279 4.394,1281 5.759,1282 3.434,1283 7.307,1284 5.938,1285 8.947,1286 8.138,1287 10.641,1289 4.126,1295 3.644,1296 2.566,1297 6.377,1299 0.074,1300 2.154,1305 40.552,1306 94.602,1307 227.108,1308 285.549,1309 313.059,1310 321.059,1311 329.059,1312 61.165,1313 9.416,1314 72.26,1315 72.26,1316 41,1317 13.215,1318 4.585,1319 3.807,1320 46.46,1321 140,1322 119,1323 0.181,1324 241.96,1325 416.53,1326 582.143,1327 191113,1329 24.104,1330 0.689,1331 0.57,1332 24.104,1333 19.953,1334 17.008,1335 0.425,1336 0.301,1337 11.864,1338 16.368,1339 11.56,1340 9.521,1341 17.008,1342 12.038,1343 15.892,1344 0.269,1345 0.162,1346 15.892,1347 9.584,1348 13.639,1349 0.16,1350 0.082,1351 13.639,1352 6.994,1353 12.797,1354 0.102,1355 0.043,1356 12.797,1357 5.467,1358 10.619,1359 0.064,1360 0.023,1361 10.619,1362 3.864,1363 0.271,1364 106.451,1365 0.192,1366 30.705,1367 0.538,1368 198,1369 528.475,1370 214.27,1371 509.984,1372 710.54,1373 480,1374 243,1375 531.818,1376 260.744,1377 541.512,1378 807.73,1379 510,1380 5}
{0 CHEMBL939,1 1.765,2 12.935,3 4.203,4 17.668,5 117.539,6 8.126,7 0.5,8 4.125,9 4.233,10 3.763,11 3.608,12 5.232,13 3.614,14 4.683,15 4.851,16 4.108,17 3.975,18 5.763,19 3.967,20 4.893,21 5.085,22 4.228,23 4.114,24 6.01,25 4.075,26 4.91,27 5.131,28 4.063,29 4.094,30 5.891,31 4.01,32 4.924,33 5.162,34 3.998,35 4.066,36 5.867,37 3.975,38 4.855,39 5.07,40 4.024,41 4.022,42 5.847,43 3.955,44 4.822,45 5.037,46 4.035,47 4,48 5.867,49 3.93,50 4.743,51 4.957,52 4.007,53 3.938,54 5.802,55 3.875,56 0.111,57 0.856,58 10.201,59 4.964,60 8.62,61 6.061,62 0.52,63 1.327,64 22.65,65 8.032,66 32.965,67 9.846,68 0.832,69 1.556,70 32.057,71 10.206,72 61.553,73 12.9,74 0.668,75 1.527,76 32.189,77 10.914,78 50.112,79 14.647,80 0.769,81 1.436,82 34.793,83 11.224,84 55.907,85 15.459,86 0.703,87 1.383,88 30.31,89 10.185,90 51.652,91 13.425,92 0.773,93 1.377,94 29.541,95 9.526,96 53.011,97 12.641,98 0.507,99 1.332,100 28.621,101 8.847,102 41.222,103 11.646,104 11,105 46,106 0.291,107 0.618,108 0.788,109 0.862,110 0.862,111 0.862,112 3.472,113 0.926,114 -4.14,115 -4.08,116 -3.86,119 40,121 1,124 1,125 6,142 5,143 1,144 5,146 1,147 1,148 1,172 2,174 1,175 7,178 1,180 3,183 3,186 2,187 5,192 2,195 3,198 2,199 4,202 1,204 2,207 4,211 2,212 3,215 1,220 5,223 1,224 4,227 1,232 4,236 2,237 7,242 1,245 2,250 4,258 1,262 2,263 3,266 1,271 2,275 1793,276 21.3,277 21.3,278 21.3,279 21.3,280 21.3,281 19.212,282 28.856,283 12.772,284 22.231,285 16.748,286 16.748,287 16.748,288 16.748,289 16.748,290 13.558,291 41.089,292 6.022,293 18.21,294 4.016,295 2.038,296 1.007,297 0.559,298 0.559,299 0.559,300 4.172,301 1,304 1,305 1,306 866,307 3.24,311 375.27,315 143.891,318 2.067,319 34.732,322 1,323 1,324 1,325 1,326 0.5,327 1,328 1,329 0.93,330 68.833,331 401,332 4.575,333 3.319,334 6.586,335 4.099,336 3.135,337 4.513,338 0.86,339 10.534,340 3.023,341 4.218,342 3.281,343 6.054,344 3.76,345 2.835,346 3.872,347 0.86,348 8.734,349 2.605,350 3.99,351 2.944,352 5.946,353 3.569,354 2.645,355 3.493,356 0.86,357 8.294,358 2.43,359 3.569,360 2.884,361 5.361,362 3.436,363 2.52,364 2.926,365 0.8,366 6.965,367 2.305,368 3.52,369 2.475,370 5.34,371 3.155,372 2.228,373 2.674,374 0.4,375 6.774,376 2.032,377 3.334,378 2.316,379 5.011,380 2.867,381 1.925,382 2.521,384 5.763,385 1.803,386 2.999,387 2.162,388 4.505,389 2.589,390 1.675,391 2.22,393 4.444,394 1.524,395 2.82,396 2.123,397 4.042,398 2.481,399 1.561,400 1.949,402 3.523,403 1.433,404 2.767,405 1.897,406 3.948,407 2.319,408 1.414,409 1.819,411 3.451,412 1.23,413 2.581,414 1.618,415 3.696,416 2.29,417 1.414,418 1.587,420 3.144,421 1.217,422 2.312,423 1.367,424 3.448,425 2.091,426 1.174,427 1.3,428 2.612,429 1.067,430 2,431 1.256,432 3.247,433 1.952,434 1,435 1,436 2.136,437 0.946,438 1.822,439 0.969,440 3.201,441 1.535,442 0.632,443 0.729,445 1.449,446 0.565,447 1.555,448 0.825,449 2.898,450 1.27,451 0.391,452 0.416,454 0.737,455 0.34,456 1.471,457 0.734,458 2.812,459 1.162,460 0.282,461 0.34,463 0.598,464 0.236,465 14.6,466 0.471,467 0.623,468 0.02,469 38.75,470 1.25,471 17.5,472 0.565,473 21.25,474 0.685,475 26.928,476 0.869,477 34.6,478 0.629,479 29.763,480 0.96,481 7.851,482 0.253,483 7.285,484 0.235,485 0.103,487 0.301,491 1,493 0.775,494 1.345,495 0.626,496 1.16,497 0.585,498 0.989,499 1.168,500 0.98,501 0.792,502 0.838,503 0.738,504 0.833,505 1.016,506 1.056,507 0.905,508 0.952,509 0.808,510 0.943,511 0.783,512 0.984,513 0.87,514 1.054,515 0.73,516 1.065,517 0.707,518 0.736,519 0.809,520 0.899,521 0.482,522 0.916,523 0.933,524 0.895,525 0.777,526 0.917,527 0.705,528 0.942,529 0.928,530 0.86,531 0.854,532 0.838,533 0.69,534 0.915,535 0.962,536 1.09,537 1.043,538 1.073,539 0.862,540 1.026,541 5.5,542 0.177,543 3.111,544 1.563,545 1.782,546 0.736,547 0.625,548 0.531,549 0.32,550 0.284,551 13808,552 42102,553 2.104,554 43.6,556 20,558 1,559 1,562 2,564 1.737,565 2,566 3.648,567 -0.297,569 1,573 97.073,574 1.765,575 3.743,576 4.774,577 5.222,578 5.222,579 5.222,580 3.112,581 4.696,582 4.92,583 3.818,584 1775.43,585 8.602,586 25978.8,588 1,590 1,591 317.975,592 1.277,593 4.899,594 0.162,595 0.006,596 0.068,597 0.033,598 0.043,599 0.018,600 0.016,601 0.014,602 0.009,603 0.008,604 0.376,605 0.33,606 1,607 0.646,608 162.713,609 -0.052,610 -0.241,611 0.04,612 -0.139,613 -0.014,614 -0.038,615 -0.17,616 0.02,617 0.008,618 0.11,619 -0.016,620 0.087,621 -0.011,622 -0.043,623 0.013,624 0.016,625 0.095,626 0.007,627 0.019,628 -0.051,629 -0.011,630 -0.086,631 0.002,632 -0.076,633 0.081,634 0.061,635 0.074,636 0.064,637 0.075,638 0.092,639 -0.025,640 -0.026,641 0.053,642 0.042,643 -0.017,644 0.039,645 -0.003,646 0.031,647 0.039,648 0.111,649 0.023,650 0.05,651 -0.088,652 -0.116,653 -0.027,654 -0.096,655 -0.012,656 -0.053,657 2.141,658 5.468,659 0.71,660 36.081,661 1.017,662 1.136,663 2.907,664 8.449,665 0.665,666 3.555,667 3.85,668 4.111,669 4.344,670 4.605,671 4.644,672 4.762,673 4.898,674 5.024,675 5.063,676 7.531,677 0.641,678 446.95,679 3.555,680 5.081,681 5.922,682 6.783,683 7.642,684 8.511,685 9.377,686 10.251,687 11.123,688 12.001,689 7.3,692 1,697 1,699 2,703 2,704 6,705 2,709 6,711 17,724 1,729 2,730 2,731 55,733 17,734 2,735 34,737 58,738 22,739 14,740 7,741 5,746 4,747 5,748 1,758 1,761 14,762 8,778 1,779 1,781 24,782 8,783 1,784 9,785 1,790 4,794 0.75,795 3,806 1,812 4,816 1,836 1,839 1,840 3,844 1,845 1,846 1,848 31,854 7,855 1,856 3,859 1,869 2,870 5.5,874 1,875 2,877 15.5,878 10.136,879 6.944,880 3.258,881 3.35,882 1.427,883 0.977,884 7.404,885 11.2,886 3.773,887 4.357,888 4.936,889 5.514,890 6.126,891 6.428,892 6.814,893 7.249,894 7.671,895 7.846,896 0.889,897 48,898 11.46,900 4.82,901 7.789,902 21.807,904 17.542,905 2.289,906 70.944,909 1,910 270.735,911 122.422,912 54.706,913 39.149,914 33,915 14.96,917 122.422,918 342.884,919 69.666,920 10.883,921 22.629,922 47.381,923 56.342,924 82.336,925 17.288,926 258.964,927 39.149,928 270.735,929 177.128,930 47.96,931 39.149,933 262.153,934 45.542,935 11,937 54.527,938 89.03,939 72.72,941 285.695,942 87.706,943 161.571,946 270.735,947 55.539,948 70.007,949 18.011,950 120.679,951 270.735,952 102.666,953 161.571,955 0.571,956 0.336,957 0.178,958 0.1,959 21,960 9,961 0.138,962 8,963 1,964 1.091,965 4.318,966 272.759,967 0.091,968 22,969 149.58,974 22.028,975 10.42,976 5.547,977 1.454,978 102.666,979 9.546,980 8.666,984 1.968,986 18.011,987 534.972,988 42.5,999 55.945,1000 62.472,1001 0.305,1002 0.647,1003 0.826,1004 0.903,1005 0.903,1006 0.903,1007 4.999,1008 1.561,1009 5.883,1010 4.444,1011 4.533,1012 5.043,1013 1.905,1014 6.658,1015 4.377,1016 6.181,1017 1.414,1018 7.418,1019 3.523,1020 4.007,1021 4.856,1022 0.325,1023 7.476,1024 3.767,1025 7.478,1026 1.414,1027 9.052,1028 3.451,1029 6.089,1030 7.255,1031 1.567,1032 10.569,1033 5.815,1034 8.812,1035 1.174,1036 10.746,1037 3.144,1038 6.399,1039 7.925,1040 0.268,1041 12.224,1042 6.05,1043 10.183,1044 1,1045 12.479,1046 2.612,1047 7.918,1048 9.801,1049 1.31,1050 14.822,1051 7.542,1052 11.577,1053 0.632,1054 14.238,1055 2.136,1056 8.631,1057 10.882,1058 0.188,1059 16.84,1060 8.196,1061 12.992,1062 0.391,1063 16.017,1064 1.449,1065 9.91,1066 12.538,1067 1.087,1068 19.264,1069 9.447,1070 3.135,1071 0.282,1072 17.81,1073 0.737,1074 10.825,1075 13.825,1076 0.125,1077 21.451,1078 10.316,1079 2.835,1080 10.534,1081 19.614,1082 0.598,1083 12,1084 15.386,1085 0.89,1086 23.814,1087 11.463,1088 2.645,1089 8.734,1090 21.428,1091 4.513,1092 13.016,1093 16.777,1094 0.082,1095 26.082,1096 12.442,1097 2.52,1098 8.294,1099 23.249,1100 3.872,1101 14.15,1102 18.297,1103 0.718,1104 28.427,1105 13.549,1106 2.228,1107 6.965,1108 25.077,1109 3.493,1110 15.217,1111 19.74,1112 0.054,1113 30.734,1114 14.583,1115 1.925,1116 6.774,1117 26.91,1118 2.926,1119 16.337,1120 21.244,1121 0.571,1122 33.076,1123 15.677,1124 1.675,1125 5.763,1126 28.749,1127 2.674,1128 17.431,1129 22.714,1130 0.035,1131 35.404,1132 16.741,1133 13112,1134 23153,1135 23.057,1136 36.557,1137 49.568,1138 51.362,1139 51.011,1140 49.795,1141 49.662,1142 62.717,1143 7.56,1144 138.316,1145 45.509,1146 5.575,1147 5.319,1148 6.388,1149 5.203,1150 5.135,1151 7.513,1152 1.72,1153 17.471,1154 5.023,1155 13.097,1156 1.458,1157 1.511,1158 1.5,1159 1.465,1160 1.461,1161 1.845,1162 0.222,1163 4.068,1164 1.339,1165 4.079,1166 4.107,1167 4.073,1168 3.977,1169 8.201,1170 3.991,1171 3.889,1172 3.909,1173 3.979,1174 3.819,1175 5.104,1176 3.819,1177 3.82,1178 3.884,1179 3.697,1180 3.61,1181 4.861,1182 3.621,1183 3.558,1184 3.603,1185 3.489,1186 3.346,1187 4.755,1188 3.362,1189 3.432,1190 3.482,1191 3.341,1192 3.229,1193 4.626,1194 3.246,1195 3.167,1196 3.241,1197 3.276,1198 2.941,1199 4.466,1200 2.944,1201 3.111,1202 3.206,1203 3.021,1204 2.927,1205 4.368,1206 2.91,1207 3.108,1208 3.174,1209 2.963,1210 2.882,1211 4.092,1212 2.89,1213 0.135,1214 0.098,1215 0.194,1216 0.121,1217 0.092,1218 4.575,1219 0.133,1220 3.319,1221 0.025,1222 6.586,1223 0.31,1224 4.099,1225 0.089,1226 3.135,1227 4.513,1228 0.86,1229 10.534,1230 3.023,1231 2.005,1232 1.984,1233 2.056,1234 2.126,1235 1.292,1236 2.106,1237 1.855,1238 1.835,1239 1.975,1240 1.993,1241 1.182,1242 1.991,1243 1.754,1244 1.691,1245 1.923,1246 1.946,1247 1.069,1248 1.945,1249 1.507,1250 1.452,1251 1.775,1252 1.742,1253 1.031,1254 1.75,1255 1.354,1256 1.309,1257 1.594,1258 1.616,1259 0.825,1260 1.604,1261 1.153,1262 1.064,1263 1.513,1264 1.407,1265 0.59,1266 1.429,1267 1.127,1268 1.047,1269 1.391,1270 1.376,1271 0.498,1272 1.417,1273 1.021,1274 0.961,1275 1.258,1276 1.274,1277 0.377,1278 1.259,1279 4.234,1281 5.533,1283 7.036,1285 8.634,1287 10.283,1289 1.6,1290 5.895,1291 13.468,1295 5.899,1296 3.173,1297 16.905,1300 2.369,1305 35.236,1306 97.073,1307 205.859,1308 262.591,1309 287.22,1310 287.22,1311 287.22,1312 55.025,1313 7.85,1314 68.74,1315 68.74,1316 24,1317 12.54,1318 4.17,1319 3.248,1320 49.422,1321 137,1322 152,1323 0.171,1324 217.506,1325 377.55,1326 522.475,1327 30787,1328 3.6,1329 21.631,1330 0.698,1331 0.58,1332 21.261,1333 17.992,1334 15.135,1335 0.445,1336 0.309,1337 9.925,1338 14.004,1339 9.718,1340 7.97,1341 15.013,1342 10.493,1343 13.173,1344 0.286,1345 0.164,1346 13.085,1347 7.56,1348 11.237,1349 0.187,1350 0.09,1351 10.838,1352 5.373,1353 9.019,1354 0.119,1355 0.048,1356 9.188,1357 3.622,1358 7.584,1359 0.077,1360 0.025,1361 7.494,1362 2.445,1363 0.272,1364 99.806,1365 0.208,1366 29.48,1367 0.46,1368 160,1369 572.789,1370 196.338,1371 540.013,1372 716.72,1373 508,1374 186,1375 488.128,1376 220.188,1377 494.037,1378 724.55,1379 463,1380 5}
{0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,119 42.6,120 1,124 1,125 5,142 10,143 4,144 2,145 3,146 1,150 1,158 1,172 11,174 1,175 7,178 3,180 5,183 12,186 1,187 6,192 5,195 7,198 1,199 13,203 1,204 6,207 3,212 9,217 3,220 5,223 1,224 6,227 4,229 2,232 11,236 1,237 3,240 1,242 2,245 13,249 2,250 5,255 4,258 11,263 8,268 2,271 6,275 2915,276 25.256,277 25.256,278 25.256,279 25.256,280 25.256,281 22.252,282 30.255,283 15.065,284 25.762,285 20.276,286 20.276,287 20.276,288 20.276,289 20.276,290 15.83,291 48.345,292 7.248,293 21.073,294 4.619,295 2.571,296 1.397,297 0.809,298 0.581,299 0.581,300 4.35,305 1,306 1361,307 3.317,311 678.363,318 2.71,319 24.81,322 1,323 0.83,324 1,325 0.8,326 0.5,327 1,328 1,329 0.88,330 78.5,331 619,332 4.315,333 3.573,334 6.185,335 3.93,336 2.959,337 3.96,338 1.058,339 9.244,340 2.89,341 4.24,342 3.072,343 6.115,344 3.858,345 2.876,346 3.87,347 0.916,348 8.969,349 2.818,350 4.165,351 3.043,352 6.033,353 3.787,354 2.798,355 3.759,356 0.8,357 8.628,358 2.765,359 3.82,360 2.87,361 5.588,362 3.604,363 2.658,364 3.263,365 0.4,366 7.698,367 2.52,368 3.74,369 2.687,370 5.313,371 3.344,372 2.392,373 3.117,374 0.172,375 6.87,376 2.27,377 3.544,378 2.462,379 5.204,380 3.267,381 2.32,382 2.784,384 6.483,385 2.183,386 3.434,387 2.335,388 5.127,389 3.087,390 2.123,391 2.551,393 6.246,394 2.046,395 3.203,396 2.27,397 4.806,398 2.861,399 1.928,400 2.486,402 5.438,403 1.786,404 3.033,405 1.869,406 4.413,407 2.731,408 1.773,409 2.052,411 4.415,412 1.697,413 2.857,414 1.829,415 4.15,416 2.412,417 1.441,418 2,420 3.703,421 1.398,422 2.744,423 1.543,424 4.047,425 2.282,426 1.265,427 1.806,428 3.364,429 1.276,430 2.709,431 1.262,432 3.541,433 2.207,434 1.238,435 1.75,436 2.792,437 1.197,438 2.5,439 1.146,440 3.429,441 2,442 1,443 1.5,445 2.387,446 1,447 2.5,448 1,449 3.414,450 1.967,451 1,452 1.5,454 2.275,455 0.965,456 2.5,457 1,458 3.414,459 1.961,460 1,461 1.5,463 2.275,464 0.958,465 17.633,466 0.477,467 0.814,468 0.022,469 51.25,470 1.385,471 26.5,472 0.716,473 24.75,474 0.669,475 29.967,476 0.81,477 38.767,478 0.57,479 41.044,480 1.109,481 10.312,482 0.279,483 7.718,484 0.209,485 0.076,487 0.301,493 0.848,494 1.433,495 0.808,496 1.104,497 0.626,498 0.972,499 0.991,500 0.994,501 0.919,502 0.878,503 0.591,504 0.877,505 1.061,506 1.208,507 1.096,508 1.165,509 0.867,510 1.137,511 0.973,512 1.042,513 0.968,514 1.04,515 0.971,516 1.011,517 1.198,518 0.876,519 0.825,520 0.754,521 1.213,522 0.747,523 0.988,524 0.96,525 1.076,526 1.036,527 1.053,528 1.059,529 0.958,530 0.93,531 0.951,532 0.966,533 1.182,534 0.964,535 1.025,536 1.05,537 0.997,538 1.062,539 1.329,540 1.041,541 7.5,542 0.206,543 3.556,544 1.875,545 1.791,546 0.938,547 0.726,548 0.668,549 0.358,550 0.262,551 25355,552 58418,553 2.133,554 45.6,555 3,556 23,558 3,559 2,564 1.776,565 2.037,566 4.006,567 0.135,573 99.834,574 1.468,575 3.516,576 4.69,577 5.278,578 5.506,579 5.506,580 3.506,581 4.703,582 5.178,583 4.179,584 2783.16,585 9.086,586 48375,591 413.947,592 1.241,593 5.159,594 0.183,595 0.006,596 0.063,597 0.033,598 0.037,599 0.018,600 0.015,601 0.015,602 0.008,603 0.007,604 0.385,605 0.33,606 0.75,607 0.435,608 208.703,609 -0.022,610 -0.243,611 0.063,612 -0.075,613 -0.021,614 -0.009,615 0.046,616 0.146,617 0.024,618 0.089,619 0.102,620 0.061,621 -0.097,622 -0.145,623 -0.151,624 -0.173,625 -0.002,626 -0.168,627 0.021,628 -0.089,629 0.03,630 -0.055,631 0.075,632 -0.019,633 -0.065,634 0.072,635 0.198,636 0.214,637 0.019,638 0.235,639 0.047,640 0.098,641 -0.115,642 -0.056,643 -0.036,644 -0.097,645 0.03,646 0.03,647 0.033,648 0.04,649 -0.028,650 0.037,651 0.066,652 -0.067,653 -0.022,654 -0.052,655 0.048,656 -0.049,657 1.809,658 5.93,659 0.811,660 52.079,661 0.995,662 1.128,663 2.907,664 8.452,665 0.671,666 3.738,667 4.043,668 4.277,669 4.5,670 4.754,671 4.736,672 4.868,673 4.997,674 5.069,675 5.165,676 9.44,677 0.635,678 493.67,679 3.738,680 5.273,681 6.107,682 6.965,683 7.812,684 8.671,685 9.522,686 10.381,687 11.235,688 12.095,689 10.3,692 2,696 1,697 1,699 3,704 13,705 3,709 8,711 24,718 1,724 1,731 68,733 25,734 2,735 41,737 72,738 29,739 21,740 5,741 7,742 1,746 5,747 5,752 1,761 22,762 7,766 1,771 1,775 1,781 31,782 8,783 2,784 8,790 7,794 1,795 1,805 1,806 1,812 5,836 2,840 5,844 2,848 37,854 5,855 2,859 2,870 1.5,873 1,877 18.167,878 12.75,879 8.083,880 3.987,881 4.413,882 1.525,883 1.005,884 7.739,885 12.824,886 4.007,887 4.575,888 5.103,889 5.635,890 6.188,891 6.321,892 6.701,893 7.07,894 7.413,895 7.753,896 1,897 56,898 13.659,900 5.724,901 7.595,902 26.45,904 21.544,905 2.095,906 77.5,910 341.362,911 177.271,912 92.627,914 25.145,917 177.271,918 366.507,919 92.627,920 17.222,921 28.539,922 94.762,923 115.519,924 72.414,925 1.899,926 306.049,928 341.362,929 269.898,930 25.145,933 341.362,934 25.145,937 93.422,938 126.119,939 50.357,941 341.362,942 117.772,943 177.271,946 341.362,947 38.145,948 145.375,949 36.022,950 75.502,951 341.362,952 117.772,953 177.271,955 0.579,956 0.33,957 0.172,958 0.1,959 26,960 11,961 0.097,962 7,964 1,965 4.937,966 345.14,968 30,969 184.75,974 24.883,975 11.508,976 6.507,978 117.772,979 24.532,980 13.135,984 6.558,986 36.022,987 636.405,988 54,993 12.93,997 -0.143,999 67.643,1000 76.68,1001 0.241,1002 0.578,1003 0.771,1004 0.867,1005 0.905,1006 0.905,1007 5.231,1008 1.928,1009 6.071,1010 6.246,1011 4.727,1012 5.263,1013 1.796,1014 6.821,1015 4.656,1016 6.413,1017 1.773,1018 7.59,1019 5.438,1020 4.205,1021 4.89,1022 0.57,1023 7.554,1024 4.108,1025 7.694,1026 1.441,1027 9.202,1028 4.415,1029 6.271,1030 7.375,1031 1.605,1032 10.61,1033 6.137,1034 9.003,1035 1.265,1036 10.868,1037 3.703,1038 6.538,1039 7.786,1040 0.581,1041 12.137,1042 6.39,1043 10.342,1044 1.238,1045 12.568,1046 3.364,1047 8.057,1048 9.747,1049 1.567,1050 14.679,1051 7.872,1052 11.701,1053 1,1054 14.29,1055 2.792,1056 8.703,1057 10.551,1058 0.515,1059 16.554,1060 8.511,1061 13.075,1062 1,1063 16.03,1064 2.387,1065 9.976,1066 12.256,1067 1.582,1068 18.895,1069 9.751,1070 2.959,1071 1,1072 17.781,1073 2.275,1074 10.818,1075 13.281,1076 0.441,1077 20.936,1078 10.586,1079 2.876,1080 9.244,1081 19.542,1082 2.275,1083 11.974,1084 14.844,1085 1.624,1086 23.192,1087 11.714,1088 2.798,1089 8.969,1090 21.311,1091 3.96,1092 12.919,1093 16,1094 0.373,1095 25.314,1096 12.648,1097 2.658,1098 8.628,1099 23.086,1100 3.87,1101 14.02,1102 17.479,1103 1.682,1104 27.535,1105 13.725,1106 2.392,1107 7.698,1108 24.865,1109 3.759,1110 15.019,1111 18.715,1112 0.314,1113 29.696,1114 14.711,1115 2.32,1116 6.87,1117 26.65,1118 3.263,1119 16.094,1120 20.144,1121 1.752,1122 31.904,1123 15.765,1124 2.123,1125 6.483,1126 28.437,1127 3.117,1128 17.122,1129 21.429,1130 0.264,1131 34.085,1132 16.777,1133 23469,1134 35900,1135 28.027,1136 45.631,1137 61.129,1138 61.824,1139 61.655,1140 60.676,1141 60.636,1142 79.069,1143 6.694,1144 168.484,1145 58.468,1146 5.315,1147 5.573,1148 5.987,1149 5.001,1150 4.959,1151 6.96,1152 2.117,1153 15.558,1154 4.89,1155 14.663,1156 1.491,1157 1.508,1158 1.504,1159 1.48,1160 1.479,1161 1.929,1162 0.163,1163 4.109,1164 1.426,1165 4.028,1166 4.068,1167 3.978,1168 3.932,1169 7.429,1170 3.936,1171 3.942,1172 3.983,1173 3.891,1174 3.852,1175 5.049,1176 3.855,1177 3.893,1178 3.932,1179 3.833,1180 3.814,1181 4.842,1182 3.816,1183 3.794,1184 3.855,1185 3.684,1186 3.604,1187 4.74,1188 3.614,1189 3.667,1190 3.724,1191 3.611,1192 3.505,1193 4.684,1194 3.524,1195 3.412,1196 3.467,1197 3.335,1198 3.214,1199 4.378,1200 3.235,1201 3.242,1202 3.335,1203 3.084,1204 3.036,1205 4.052,1206 3.031,1207 3.111,1208 3.206,1209 2.962,1210 2.941,1211 3.963,1212 2.91,1213 0.105,1214 0.087,1215 0.151,1216 0.096,1217 0.072,1218 4.315,1219 0.097,1220 3.573,1221 0.026,1222 6.185,1223 0.225,1224 3.93,1225 0.07,1226 2.959,1227 3.96,1228 1.058,1229 9.244,1230 2.89,1231 1.957,1232 1.929,1233 2.065,1234 2.075,1235 1.323,1236 2.073,1237 1.918,1238 1.886,1239 2.028,1240 2.05,1241 1.16,1242 2.045,1243 1.877,1244 1.846,1245 1.979,1246 1.995,1247 1.125,1248 1.994,1249 1.752,1250 1.681,1251 1.95,1252 1.936,1253 1.027,1254 1.946,1255 1.608,1256 1.556,1257 1.728,1258 1.794,1259 0.825,1260 1.779,1261 1.344,1262 1.291,1263 1.591,1264 1.588,1265 0.735,1266 1.587,1267 1.223,1268 1.136,1269 1.546,1270 1.48,1271 0.691,1272 1.503,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.619,1278 1.429,1279 4.419,1281 5.727,1283 7.225,1285 8.801,1287 10.416,1289 4.158,1295 5.237,1296 6.294,1300 4.8,1305 43.186,1306 99.834,1307 239.113,1308 318.954,1309 358.928,1310 374.438,1311 374.438,1312 55.749,1313 8.411,1314 86.28,1315 86.28,1316 30,1317 12.647,1318 4.7,1319 3.807,1320 57.104,1321 209,1322 228,1323 0.128,1324 265.482,1325 456.33,1326 639.535,1327 68589,1329 25.614,1330 0.692,1331 0.573,1332 25.614,1333 21.185,1334 18.03,1335 0.44,1336 0.304,1337 12.293,1338 17.418,1339 11.937,1340 9.945,1341 18.03,1342 12.457,1343 16.198,1344 0.289,1345 0.168,1346 16.198,1347 9.392,1348 13.45,1349 0.189,1350 0.093,1351 13.45,1352 6.573,1353 10.811,1354 0.121,1355 0.048,1356 10.811,1357 4.278,1358 9.213,1359 0.08,1360 0.027,1361 9.213,1362 3.137,1363 0.21,1364 112.246,1365 0.189,1366 34.613,1367 0.329,1368 194,1369 510.627,1370 209.481,1371 506.189,1372 701.38,1373 476,1374 224,1375 521.411,1376 240.37,1377 535.987,1378 775.58,1379 502,1380 5}
{0 CHEMBL98350,1 1.448,2 8.478,3 3.342,4 11.171,5 88.664,6 7.684,7 0.462,8 3.809,9 3.901,10 3.421,11 3.388,12 4.896,13 3.378,14 4.353,15 4.491,16 3.771,17 3.772,18 5.416,19 3.749,20 4.598,21 4.778,22 3.848,23 3.901,24 5.624,25 3.856,26 4.577,27 4.75,28 3.795,29 3.857,30 5.68,31 3.802,32 4.561,33 4.748,34 3.749,35 3.83,36 5.62,37 3.771,38 4.486,39 4.663,40 3.64,41 3.768,42 5.593,43 3.703,44 4.4,45 4.581,46 3.461,47 3.661,48 5.54,49 3.569,50 4.307,51 4.542,52 3.115,53 3.501,54 5.198,55 3.345,56 0.012,57 0.519,58 7.554,59 3.82,60 4.461,61 4.574,62 0.202,63 0.886,64 15.072,65 6.264,66 15.71,67 7.514,68 0.294,69 1.104,70 21.062,71 8.255,72 25.461,73 10.23,74 0.366,75 1.044,76 20.717,77 8.4,78 37.582,79 10.346,80 0.349,81 1.029,82 20.912,83 8.298,84 33.004,85 10.33,86 0.234,87 0.974,88 18.758,89 7.527,90 36.023,91 9.207,92 0.313,93 0.895,94 17.292,95 6.907,96 45.021,97 8.588,98 0.125,99 0.824,100 16.391,101 6.813,102 24.181,103 9.21,104 2,105 36,106 0.255,107 0.562,108 0.674,109 0.762,110 0.815,111 0.815,112 3.19,113 0.897,114 -3.71,115 -3.68,116 -3.5,119 47.5,125 4,135 1,139 1,142 8,143 3,144 1,157 1,172 11,174 1,175 6,183 14,186 1,187 4,195 12,198 2,199 7,207 10,211 1,212 8,220 9,224 6,232 6,236 1,237 6,245 3,250 5,258 1,263 3,275 696,276 16.052,277 16.052,278 16.052,279 16.052,280 16.052,281 14.337,282 13.258,283 9.684,284 16.394,285 12.881,286 12.881,287 12.881,288 12.881,289 12.881,290 10.246,291 16.375,292 4.62,293 13.421,294 3.874,295 2.132,296 1.5,297 1,298 0.7,299 0.7,300 3.894,303 1,304 1,305 1,306 432,307 1.871,311 226.251,315 87.589,318 1.195,319 20.252,320 1,321 1,322 1,323 1,324 1,325 0.8,326 0.5,327 1,328 1,329 0.9,330 49.5,331 195,332 4.563,333 3.64,334 6.805,335 4.196,336 3.22,337 4.235,338 1.138,339 11.241,340 3.152,341 4.105,342 3.181,343 6.168,344 3.757,345 2.804,346 3.569,347 0.86,348 9.13,349 2.717,350 3.843,351 3.022,352 5.977,353 3.55,354 2.573,355 3.161,356 0.643,357 8.358,358 2.456,359 3.448,360 2.468,361 5.091,362 3.012,363 2.008,364 2.747,366 5.74,367 2.007,368 3.037,369 2.292,370 4.539,371 2.732,372 1.829,373 2.146,375 4.675,376 1.649,377 2.918,378 1.8,379 4.227,380 2.495,381 1.504,382 2.042,384 3.737,385 1.48,386 2.828,387 1.664,388 3.804,389 2.385,390 1.417,391 1.893,393 3.138,394 1.365,395 2.515,396 1.402,397 3.525,398 2.079,399 1.139,400 1.5,402 2.708,403 1.065,404 2.5,405 1.256,406 3.457,407 2,408 1,409 1.488,411 2.362,412 1,413 2.206,414 1.16,415 3.247,416 1.952,417 1,418 1.138,420 2.136,421 0.946,422 2,423 1,424 3.247,425 1.884,426 0.936,427 1,428 2.136,429 0.876,430 1.427,431 0.609,432 2.788,433 0.943,434 -0.029,435 -0.038,436 -0.076,437 -0.028,438 0.919,439 -0.07,440 2.655,441 0.493,442 -0.491,443 -0.592,445 -1.281,446 -0.476,447 0.775,448 -0.36,449 2.417,450 0.459,451 -0.546,452 -0.748,454 -1.29,455 -0.546,456 0.562,457 -0.454,458 2.211,459 0.19,460 -0.76,461 -0.855,463 -1.88,464 -0.716,465 10.9,466 0.474,467 0.432,468 0.019,469 30.5,470 1.326,471 15.5,472 0.674,473 15,474 0.652,475 16.235,476 0.706,477 23.9,478 0.598,479 21.581,480 0.938,481 6.254,482 0.272,483 5.072,484 0.221,485 0.031,487 0.312,493 0.752,494 1.204,495 0.716,496 1.055,497 0.572,498 0.91,499 1.127,500 0.995,501 0.939,502 0.929,503 0.72,504 0.897,505 1.149,506 0.907,507 0.947,508 0.896,509 0.907,510 0.881,511 1.083,512 1.008,513 0.981,514 1.013,515 0.979,516 0.991,517 1.106,518 0.935,519 0.93,520 0.902,521 1.07,522 0.893,523 1.255,524 1.083,525 1.123,526 1.055,527 1.781,528 1.064,529 1.097,530 1.112,531 1.247,532 1.134,533 1.818,534 1.2,535 0.636,536 1.193,537 1.135,538 1.261,539 0.831,540 1.28,541 3,542 0.016,543 2.444,544 1.313,545 1.08,546 0.903,547 0.487,548 0.196,549 0.061,550 0.023,551 5444,552 13788,553 2.196,554 42.5,556 17,564 1.664,565 2.123,566 3.092,567 -0.815,568 1,569 1,571 1,573 57.925,574 1.448,575 3.19,576 3.822,577 4.322,578 4.622,579 4.622,580 2.475,581 3.882,582 4.496,583 3.169,584 801.674,585 7.774,586 8784.54,587 1,588 1,589 1,590 1,591 212.877,592 1.121,593 4.483,594 0.115,595 0.004,596 0.068,597 0.035,598 0.031,599 0.027,600 0.016,601 0.008,602 0.004,603 0.003,604 0.31,605 0.67,606 1,607 0.393,608 105.068,609 -0.008,610 -0.152,611 0.074,612 -0.072,613 -0.025,614 -0.002,615 -0.076,616 0.067,617 -0.043,618 0.022,619 -0.035,620 0.001,621 -0.071,622 0.111,623 0.014,624 0.062,625 -0.023,626 0.058,627 0.067,628 -0.044,629 -0.013,630 -0.037,631 0.075,632 -0.042,633 0.008,634 0.026,635 0.052,636 0.077,637 -0.014,638 0.071,639 -0.169,640 -0.094,641 -0.167,642 -0.09,643 -0.188,644 -0.122,645 -0.048,646 -0.12,647 -0.293,648 -0.172,649 -0.127,650 -0.256,651 -0.007,652 -0.239,653 -0.177,654 -0.274,655 -0.044,656 -0.258,657 1.675,658 5.508,659 0.957,660 16.163,661 1.004,662 1.111,663 2.481,664 6.157,665 0.687,666 3.296,667 3.611,668 3.932,669 4.234,670 4.522,671 4.585,672 4.771,673 4.875,674 4.956,675 4.942,676 5.05,677 0.66,678 307.37,679 3.296,680 4.828,681 5.694,682 6.578,683 7.463,684 8.358,685 9.252,686 10.151,687 11.05,688 11.952,689 2.5,692 1,704 8,709 4,711 12,716 1,729 1,731 40,733 14,734 2,735 26,737 43,738 19,739 12,740 4,741 8,742 3,746 4,747 5,761 15,762 4,766 2,771 1,773 1,775 2,777 1,778 1,781 17,782 4,784 4,790 1,794 0.75,795 3,812 4,816 1,831 1,836 1,839 1,840 3,848 23,854 4,856 2,859 1,870 7.5,873 1,874 1,875 1,877 10.833,878 7.2,879 5.056,880 2.458,881 2.71,882 1.37,883 1.015,884 3.797,885 10.044,886 3.555,887 4.111,888 4.705,889 5.283,890 5.847,891 6.105,892 6.554,893 6.917,894 7.241,895 7.466,896 0.833,897 38,898 8.531,900 3.686,901 7.674,902 16.432,904 13.716,905 2.174,906 50,909 1,910 200.109,911 123.431,912 3.124,914 47.145,917 123.431,918 247.253,919 3.124,921 13.396,922 85.286,923 41.278,924 33.739,926 200.109,928 200.109,929 126.555,930 47.145,933 200.109,934 36.145,935 11,937 16.52,938 100.558,939 9.476,941 200.109,942 50.269,943 123.431,946 200.109,947 38.144,948 88.411,950 47.145,951 200.109,952 50.269,953 123.431,955 0.573,956 0.344,957 0.199,958 0.114,959 19,960 7,961 0.047,962 2,963 1,964 1.091,965 3.526,966 195.198,967 0.091,968 22,969 96.042,974 14.34,975 6.09,976 2.726,978 50.269,979 15.697,984 3.242,987 373.808,988 34,993 12.508,995 1.586,997 0.611,999 40.153,1000 44.448,1001 0.272,1002 0.599,1003 0.718,1004 0.812,1005 0.868,1006 0.868,1007 4.787,1008 1.139,1009 5.659,1010 3.138,1011 4.29,1012 4.796,1013 1.724,1014 6.485,1015 4.22,1016 5.967,1017 1,1018 7.217,1019 2.708,1020 3.761,1021 4.443,1022 0.325,1023 7.413,1024 3.681,1025 7.262,1026 1,1027 8.884,1028 2.362,1029 5.878,1030 6.925,1031 1.676,1032 10.571,1033 5.751,1034 8.596,1035 0.936,1036 10.619,1037 2.136,1038 6.236,1039 7.449,1040 0.424,1041 12.371,1042 6.103,1043 9.967,1044 -0.029,1045 12.397,1046 2.136,1047 7.779,1048 9.369,1049 1.733,1050 15.027,1051 7.607,1052 11.365,1053 -0.491,1054 14.205,1055 -0.076,1056 8.558,1057 10.325,1058 0.581,1059 17.17,1060 8.377,1061 12.784,1062 -0.546,1063 16.033,1064 -1.281,1065 9.859,1066 11.99,1067 1.843,1068 19.658,1069 9.647,1070 3.22,1071 -0.76,1072 17.875,1073 -1.29,1074 10.837,1075 13.172,1076 0.788,1077 21.948,1078 10.612,1079 2.804,1080 11.241,1081 19.728,1082 -1.88,1083 12.04,1084 14.716,1085 1.986,1086 24.379,1087 11.789,1088 2.573,1089 9.13,1090 21.59,1091 4.235,1092 13.111,1093 16.016,1094 1.027,1095 26.734,1096 12.845,1097 2.008,1098 8.358,1099 23.459,1100 3.569,1101 14.278,1102 17.503,1103 2.153,1104 29.148,1105 13.989,1106 1.829,1107 5.74,1108 25.332,1109 3.161,1110 15.393,1111 18.867,1112 1.284,1113 31.533,1114 15.087,1115 1.504,1116 4.675,1117 27.211,1118 2.747,1119 16.548,1120 20.327,1121 2.337,1122 33.945,1123 16.222,1124 1.417,1125 3.737,1126 29.094,1127 2.146,1128 17.685,1129 21.726,1130 1.553,1131 36.345,1132 17.34,1133 5114,1134 8242,1135 18.087,1136 27.46,1137 39.395,1138 40.489,1139 39.289,1140 38.848,1141 38.858,1142 49.839,1143 5.281,1144 110.718,1145 37.425,1146 5.563,1147 5.64,1148 6.607,1149 5.301,1150 5.22,1151 7.235,1152 2.22,1153 18.616,1154 5.152,1155 5.635,1156 1.515,1157 1.557,1158 1.511,1159 1.494,1160 1.495,1161 1.917,1162 0.203,1163 4.258,1164 1.439,1165 4.049,1166 4.063,1167 4.012,1168 3.983,1169 7.428,1170 3.986,1171 3.835,1172 3.872,1173 3.765,1174 3.737,1175 4.904,1176 3.739,1177 3.734,1178 3.775,1179 3.633,1180 3.561,1181 4.702,1182 3.573,1183 3.419,1184 3.442,1185 3.337,1186 3.276,1187 4.602,1188 3.286,1189 3.111,1190 3.206,1191 2.959,1192 2.941,1193 4.372,1194 2.91,1195 3.021,1196 3.043,1197 2.866,1198 2.896,1199 3.791,1200 2.896,1201 2.859,1202 2.925,1203 2.755,1204 2.735,1205 3.676,1206 2.715,1207 2.854,1208 2.908,1209 2.687,1210 2.654,1211 3.674,1212 2.668,1213 0.175,1214 0.14,1215 0.262,1216 0.161,1217 0.124,1218 4.563,1219 0.163,1220 3.64,1221 0.044,1222 6.805,1223 0.432,1224 4.196,1225 0.121,1226 3.22,1227 4.235,1228 1.138,1229 11.241,1230 3.152,1231 2.006,1232 1.992,1233 2.087,1234 2.089,1235 1.228,1236 2.085,1237 1.809,1238 1.783,1239 1.945,1240 1.964,1241 1.182,1242 1.962,1243 1.69,1244 1.638,1245 1.879,1246 1.861,1247 0.967,1248 1.868,1249 1.375,1250 1.35,1251 1.526,1252 1.545,1253 0.825,1254 1.539,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.59,1260 1.429,1261 0.987,1262 0.954,1263 1.181,1264 1.158,1265 0.288,1266 1.149,1267 0.886,1268 0.821,1269 1.175,1270 1.062,1271 0.218,1272 1.107,1273 0.783,1274 0.738,1275 1.062,1276 1.058,1277 0.212,1278 1.063,1279 3.97,1281 5.283,1283 6.821,1285 8.459,1287 10.149,1295 2.786,1297 11.509,1300 2.062,1305 26.38,1306 57.925,1307 127.593,1308 152.877,1309 172.877,1310 184.877,1311 184.877,1312 31.789,1313 7.334,1314 42.68,1315 42.68,1316 24,1317 12.473,1318 3.907,1319 3.17,1320 31.605,1321 68,1322 70,1323 0.228,1324 158.815,1325 282.27,1326 379.269,1327 14250,1329 15.648,1330 0.68,1331 0.552,1332 15.648,1333 12.697,1334 11.326,1335 0.436,1336 0.299,1337 7.668,1338 10.903,1339 7.542,1340 6.178,1341 11.326,1342 7.778,1343 9.927,1344 0.276,1345 0.155,1346 9.927,1347 5.597,1348 8.727,1349 0.175,1350 0.083,1351 8.727,1352 4.149,1353 7.627,1354 0.112,1355 0.043,1356 7.627,1357 2.95,1358 6.528,1359 0.072,1360 0.023,1361 6.528,1362 2.07,1363 0.343,1364 70.928,1365 0.235,1366 22.063,1367 0.672,1368 124,1369 364.852,1370 135.715,1371 344.62,1372 476.53,1373 326,1374 148,1375 351.362,1376 160.576,1377 352.461,1378 523.17,1379 334,1380 6.26}